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 8 physical rank 1 will use CUDA device of pe 7 Pe 9 physical rank 2 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 12 physical rank 5 will use CUDA device of pe 7 Pe 10 physical rank 3 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 0 physical rank 0 will use CUDA device of pe 4 Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 5 physical rank 5 will use CUDA device of pe 4 Pe 1 physical rank 1 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 Pe 2 physical rank 2 will use CUDA device of pe 4 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 0.0300052 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.2773 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.1.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.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 100.861 0 0 Info: PERIODIC CELL BASIS 2 0 99.0766 0 Info: PERIODIC CELL BASIS 3 0 0 76.4558 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.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.1.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.1.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.1 Info: RESTART FILENAME MD.1.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 1.76795e-05 1.76795e-05 -1.35188e-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 1474856994 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.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: 10.5184 Info: Reading pdb file 1qhj_membrane_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.277707 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 = 1.04121 g/cm^3 Info: ATOM DENSITY = 0.105486 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.restart.coor Info: Info: Entering startup at 11.6306 s, 153.039 MB of memory in use Info: Startup phase 0 took 0.000340277 s, 153.051 MB of memory in use Info: ADDED 238567 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.190843 s, 174.934 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 0.00951033 s, 179.453 MB of memory in use Info: Startup phase 3 took 0.000232097 s, 179.617 MB of memory in use Info: Startup phase 4 took 0.00161831 s, 182.586 MB of memory in use Info: Startup phase 5 took 0.000205243 s, 182.625 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.restart.vel Info: REMOVING COM VELOCITY -0.0167609 -0.0121977 0.00320508 Info: LARGEST PATCH (163) HAS 430 ATOMS Info: TORUS A SIZE 24 USING 3 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 17 18 19 20 21 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 0.0871715 s, 196.934 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 0.271223 s, 197.84 MB of memory in use Info: Startup phase 8 took 0.00409895 s, 196.148 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.0278229 s, 196.398 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 1 hosts 0 local and 8 remote patches for pe 4 Pe 5 hosts 0 local and 5 remote patches for pe 4 Pe 0 hosts 0 local and 5 remote patches for pe 4 Pe 6 hosts 0 local and 12 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 8 hosts 0 local and 5 remote patches for pe 7 Pe 11 hosts 0 local and 6 remote patches for pe 7 Pe 12 hosts 0 local and 5 remote patches for pe 7 Pe 7 hosts 0 local and 12 remote patches for pe 7 Pe 13 hosts 0 local and 8 remote patches for pe 7 Pe 10 hosts 0 local and 5 remote patches for pe 7 Pe 9 hosts 0 local and 10 remote patches for pe 7 Info: Startup phase 10 took 0.05253 s, 202.016 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 0.000497345 s, 202.145 MB of memory in use Info: Startup phase 12 took 0.000102184 s, 202.148 MB of memory in use Info: Finished startup at 12.2768 s, 202.148 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: 0 260.935 166.572 -368.554 166.571 -310.051 -105.748 -368.554 -105.748 -230.851 GPRESSURE: 0 302.863 102.936 -368.707 144.066 -300.236 -119.81 -309.085 -81.3463 -189.106 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 3993.6305 20537.1928 14414.7088 247.4703 -202873.9344 2409.2707 0.0000 0.0000 51948.6234 -109323.0379 298.5495 -161271.6614 -108960.4755 298.5495 -93.3226 -62.1595 764023.1412 -93.3226 -62.1595 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 12.3845 LDB: ============== END OF LOAD BALANCING =============== 12.3847 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.3863 LDB: ============= START OF LOAD BALANCING ============== 12.6746 LDB: Largest compute 7077 load 0.024352 is 16.0% of average load 0.152288 LDB: Average compute 0.003477 is 2.3% of average load 0.152288 LDB: Partitioning computes with target load 0.015229 LDB: Increased migratable compute count from 1320 to 1320 LDB: Largest unpartitionable compute is 0.024352 LDB: ============== END OF LOAD BALANCING =============== 12.6796 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12.6844 Info: Initial time: 140 CPUs 0.00380416 s/step 0.0220148 days/ns 218.16 MB memory LDB: ============= START OF LOAD BALANCING ============== 12.7475 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12.7476 LDB: =============== DONE WITH MIGRATION ================ 12.7494 LDB: ============= START OF LOAD BALANCING ============== 13.0003 LDB: Largest compute 7028 load 0.025022 is 16.4% of average load 0.152342 LDB: Average compute 0.003457 is 2.3% of average load 0.152342 LDB: TIME 13.0036 LOAD: AVG 0.152342 MAX 0.241792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 219.816 MB LDB: TIME 13.0052 LOAD: AVG 0.152342 MAX 0.161352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 TorusLB MEM: 219.824 MB LDB: ============== END OF LOAD BALANCING =============== 13.0085 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.0133 PRESSURE: 200 338.957 -53.4701 -98.3639 -53.4699 -180.782 42.8755 -98.3639 42.8758 110.389 GPRESSURE: 200 259.779 -27.7203 -131.082 -146.482 -75.8073 46.0493 -106.311 60.832 155.664 PRESSAVG: 200 -2.83145 23.9281 -28.6805 23.9281 -27.6694 -13.2208 -28.6806 -13.2209 13.2854 GPRESSAVG: 200 -2.62955 23.4102 -27.6186 24.7019 -27.1841 -14.049 -31.8097 -9.93788 12.9302 Info: Initial time: 140 CPUs 0.00313526 s/step 0.0181439 days/ns 220.742 MB memory TIMING: 200 CPU: 0.796904, 0.0036041/step Wall: 0.796904, 0.0036041/step, 5.00549 hours remaining, 220.742188 MB of memory in use. ENERGY: 200 4054.5550 20412.9966 14408.1379 235.0384 -203119.2445 2687.4505 0.0000 0.0000 51703.9288 -109617.1372 297.1432 -161321.0661 -109266.0445 298.2748 89.5212 113.2118 762326.4080 -5.7385 -5.6278 LDB: ============= START OF LOAD BALANCING ============== 13.3293 LDB: Largest compute 7028 load 0.029965 is 15.5% of average load 0.193073 LDB: Average compute 0.004376 is 2.3% of average load 0.193073 LDB: TIME 13.3326 LOAD: AVG 0.193073 MAX 0.206253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 220.742 MB LDB: TIME 13.333 LOAD: AVG 0.193073 MAX 0.206253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.742 MB LDB: TIME 13.333 LOAD: AVG 0.193073 MAX 0.206253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 220.742 MB LDB: ============== END OF LOAD BALANCING =============== 13.3351 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.3397 Info: Initial time: 140 CPUs 0.00315235 s/step 0.0182428 days/ns 221.781 MB memory LDB: ============= START OF LOAD BALANCING ============== 13.6563 LDB: Largest compute 7077 load 0.030644 is 15.9% of average load 0.192970 LDB: Average compute 0.004338 is 2.2% of average load 0.192970 LDB: TIME 13.6596 LOAD: AVG 0.19297 MAX 0.206231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.93 MB LDB: TIME 13.66 LOAD: AVG 0.19297 MAX 0.206231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.93 MB LDB: TIME 13.6601 LOAD: AVG 0.19297 MAX 0.206231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 221.93 MB LDB: ============== END OF LOAD BALANCING =============== 13.662 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13.6667 PRESSURE: 400 140.751 -16.9585 89.8019 -16.9589 157.12 -174.191 89.8025 -174.191 -75.5104 GPRESSURE: 400 218.09 155.636 45.5944 -16.0633 163.627 -157.859 69.2612 -100.514 -78.3131 PRESSAVG: 400 47.3714 -11.0531 24.4809 -11.0531 -47.0172 21.9987 24.4809 21.9986 4.34616 GPRESSAVG: 400 48.8935 -10.8248 23.0138 -9.57388 -48.1941 22.2989 26.3302 20.4548 4.16398 Info: Benchmark time: 140 CPUs 0.00316517 s/step 0.018317 days/ns 220.309 MB memory TIMING: 400 CPU: 1.44979, 0.00326441/step Wall: 1.44979, 0.00326441/step, 4.53354 hours remaining, 220.308594 MB of memory in use. ENERGY: 400 3971.1814 20339.5290 14414.5160 237.3296 -202961.7683 2419.5353 0.0000 0.0000 51973.0055 -109606.6715 298.6896 -161579.6771 -109241.1629 298.0128 74.1201 101.1345 762622.5065 1.5668 1.6211 Info: Benchmark time: 140 CPUs 0.00313739 s/step 0.0181562 days/ns 220.309 MB memory PRESSURE: 600 -252.169 165.534 -107.897 165.535 -515.52 105.197 -107.897 105.197 -57.6276 GPRESSURE: 600 -266.679 168.398 -107.948 107.314 -434.835 67.8235 -75.4395 138.308 -46.1806 PRESSAVG: 600 71.3553 -1.7689 -23.855 -1.76894 -61.7981 -14.5469 -23.855 -14.5469 -9.20396 GPRESSAVG: 600 68.9865 -1.78089 -24.3881 -2.26886 -60.4805 -15.3261 -24.3017 -11.2418 -7.92156 Info: Benchmark time: 140 CPUs 0.00314253 s/step 0.0181859 days/ns 220.309 MB memory TIMING: 600 CPU: 2.078, 0.00314108/step Wall: 2.078, 0.00314108/step, 4.36209 hours remaining, 220.308594 MB of memory in use. ENERGY: 600 3922.8746 20392.2423 14433.0455 263.1838 -203075.1811 2479.6308 0.0000 0.0000 52172.7275 -109411.4765 299.8374 -161584.2040 -109046.1096 298.5454 -275.1055 -249.2315 763175.1416 0.1177 0.1948 Info: Benchmark time: 140 CPUs 0.00312248 s/step 0.0180699 days/ns 220.309 MB memory PRESSURE: 800 315.009 -64.6365 -31.2295 -64.6362 -152.108 -61.9193 -31.2297 -61.9191 236.924 GPRESSURE: 800 411.872 -83.8611 -13.0676 -62.718 -145.132 -149.331 -11.815 -94.5308 228.114 PRESSAVG: 800 55.1793 16.7771 -15.2648 16.7771 -46.2287 0.780442 -15.2648 0.780397 -14.9134 GPRESSAVG: 800 57.2085 18.2862 -14.3846 16.7307 -48.3102 0.765239 -14.3483 -1.03642 -14.8133 Info: Benchmark time: 140 CPUs 0.00313088 s/step 0.0181185 days/ns 220.566 MB memory TIMING: 800 CPU: 2.70356, 0.00312778/step Wall: 2.70356, 0.00312778/step, 4.34345 hours remaining, 220.566406 MB of memory in use. ENERGY: 800 3905.8208 20413.0427 14439.2212 239.7485 -203384.0566 2821.6782 0.0000 0.0000 52114.5781 -109449.9670 299.5032 -161564.5452 -109083.6942 298.7930 133.2751 164.9513 764091.8142 -1.9876 -1.9717 Info: Benchmark time: 140 CPUs 0.00311598 s/step 0.0180323 days/ns 220.566 MB memory PRESSURE: 1000 290.085 -29.0074 -73.5757 -29.0078 122.359 -22.2191 -73.5758 -22.2197 -131.76 GPRESSURE: 1000 222.491 -124.92 -92.6703 61.0398 133.781 17.6204 -203.115 -93.0108 -0.659647 PRESSAVG: 1000 34.5392 26.058 -52.2046 26.0581 -52.0755 -54.0594 -52.2046 -54.0595 0.623752 GPRESSAVG: 1000 32.9541 26.4245 -51.2212 25.2358 -50.9139 -53.3256 -51.4066 -53.4268 1.094 TIMING: 1000 CPU: 3.32978, 0.00313112/step Wall: 3.32978, 0.00313112/step, 4.34791 hours remaining, 220.566406 MB of memory in use. ENERGY: 1000 4006.5957 20480.1865 14473.2975 246.5050 -203205.0164 2771.8577 0.0000 0.0000 52120.3328 -109106.2411 299.5363 -161226.5739 -108742.5750 299.4457 93.5613 118.5376 764332.3033 -5.6375 -5.6219 PRESSURE: 1200 264.121 -8.89795 -160.011 -8.89778 -204.424 -126.098 -160.012 -126.098 -226.235 GPRESSURE: 1200 171.969 -164.574 -246.71 -50.8484 -162.171 -223.946 32.9949 -8.52372 -127.835 PRESSAVG: 1200 -10.7706 -37.7123 -51.1228 -37.7122 -20.6415 -15.9744 -51.1228 -15.9745 -25.4944 GPRESSAVG: 1200 -9.7059 -40.1979 -50.7821 -37.1464 -21.0284 -15.2746 -51.0647 -17.2251 -26.0461 TIMING: 1200 CPU: 3.9536, 0.0031191/step Wall: 3.9536, 0.0031191/step, 4.33105 hours remaining, 220.566406 MB of memory in use. ENERGY: 1200 4055.3399 20561.8650 14399.4289 243.0086 -203607.9367 2937.8339 0.0000 0.0000 52111.7589 -109298.7013 299.4870 -161410.4603 -108947.8603 299.5043 -55.5127 -39.3456 761218.4757 -18.9688 -18.9268 PRESSURE: 1400 -141.071 67.3043 -167.216 67.3044 -242.644 -66.0991 -167.216 -66.0987 -259.85 GPRESSURE: 1400 -48.5875 23.0596 -188.109 13.4794 -203.526 -20.921 -69.5455 39.7825 -316.061 PRESSAVG: 1400 51.7748 6.10933 -70.2887 6.1094 -12.7199 29.9737 -70.2888 29.9737 8.03715 GPRESSAVG: 1400 52.6619 6.47241 -71.9506 5.66571 -12.9707 30.6073 -70.0159 29.3671 7.82939 TIMING: 1400 CPU: 4.58086, 0.00313626/step Wall: 4.58085, 0.00313626/step, 4.35469 hours remaining, 220.566406 MB of memory in use. ENERGY: 1400 4024.7638 20600.2783 14378.4839 263.2569 -203474.4755 2731.6447 0.0000 0.0000 52026.5242 -109449.5237 298.9971 -161476.0479 -109086.2789 299.8247 -214.5218 -189.3918 763152.3907 15.6974 15.8402 PRESSURE: 1600 -99.8814 -1.17599 -164.971 -1.17563 105.116 12.1599 -164.972 12.1599 92.9971 GPRESSURE: 1600 -92.8288 0.807111 -118.204 -50.755 160.627 -68.7471 -167.185 34.1752 114.529 PRESSAVG: 1600 4.10165 -13.6819 -31.7306 -13.6818 -35.516 -13.3827 -31.7307 -13.3827 4.20215 GPRESSAVG: 1600 3.83914 -14.0902 -30.1727 -13.4683 -34.5826 -14.62 -33.382 -14.0127 3.07091 TIMING: 1600 CPU: 5.2047, 0.0031192/step Wall: 5.2047, 0.0031192/step, 4.33084 hours remaining, 220.566406 MB of memory in use. ENERGY: 1600 4037.2310 20414.5861 14450.5745 257.2010 -203416.5688 2880.2501 0.0000 0.0000 51733.5435 -109643.1825 297.3134 -161376.7260 -109276.6061 298.9094 32.7439 60.7760 764223.1697 -9.0707 -9.2242 PRESSURE: 1800 -146.886 -105.147 -115.802 -105.147 -3.43811 10.9943 -115.801 10.9944 -143.795 GPRESSURE: 1800 -45.9232 -112.589 -131.672 -118.776 -0.879363 -33.0586 -35.756 -85.8275 -158.287 PRESSAVG: 1800 -14.039 55.1813 -52.7004 55.1813 5.47334 -102.974 -52.7003 -102.974 -11.3568 GPRESSAVG: 1800 -14.9553 56.0337 -53.1631 54.5629 6.01913 -103.319 -51.8531 -102.879 -10.4253 TIMING: 1800 CPU: 5.83859, 0.00316949/step Wall: 5.83859, 0.00316949/step, 4.40049 hours remaining, 220.566406 MB of memory in use. ENERGY: 1800 3995.9424 20465.7240 14441.2650 271.7306 -203218.6705 2559.0314 0.0000 0.0000 51928.9357 -109556.0414 298.4363 -161484.9770 -109204.2481 298.4518 -98.0398 -68.3631 763232.2013 -6.6408 -6.4538 PRESSURE: 2000 100.991 135.036 29.9696 135.036 85.7853 96.6621 29.9691 96.6618 337.83 GPRESSURE: 2000 225.691 167.359 -62.8878 94.6642 28.1929 140.084 1.88468 113.345 361.076 PRESSAVG: 2000 -21.1258 68.875 -10.0029 68.875 -1.11637 -26.8754 -10.0029 -26.8754 9.71011 GPRESSAVG: 2000 -20.4851 69.1578 -10.1824 67.9255 -2.66581 -26.1544 -9.98277 -26.5666 10.4821 TIMING: 2000 CPU: 6.46172, 0.00311565/step Wall: 6.46172, 0.00311565/step, 4.32556 hours remaining, 220.566406 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: 2000 3930.4462 20545.9318 14367.5933 268.8832 -203625.4088 2961.2124 0.0000 0.0000 51896.7425 -109654.5994 298.2513 -161551.3419 -109295.3183 298.7632 174.8686 204.9866 762681.2454 -4.1773 -4.2230 PRESSURE: 2200 -336.352 -8.56091 -32.1942 -8.56088 69.0451 51.6874 -32.1944 51.6876 -80.1675 GPRESSURE: 2200 -271.059 68.6737 -144.176 73.3868 66.7928 96.4723 -50.3523 -38.5207 -46.938 PRESSAVG: 2200 23.219 36.5431 -45.6543 36.5431 -26.5699 -42.6556 -45.6542 -42.6556 24.5812 GPRESSAVG: 2200 23.5501 36.9038 -45.1149 38.7114 -25.6455 -43.2459 -46.4799 -41.6983 23.7299 TIMING: 2200 CPU: 7.09057, 0.00314423/step Wall: 7.09057, 0.00314423/step, 4.36507 hours remaining, 220.566406 MB of memory in use. ENERGY: 2200 3984.9095 20536.6118 14456.8621 246.6648 -203350.9462 2661.4416 0.0000 0.0000 51886.2495 -109578.2069 298.1910 -161464.4564 -109212.3651 298.8568 -115.8247 -83.7346 763995.8771 7.0768 7.2115 PRESSURE: 2400 420.237 242.899 -324.226 242.899 -44.155 -101.092 -324.225 -101.093 36.1912 GPRESSURE: 2400 357.758 191.035 -363.951 113.208 75.1052 -110.104 -294.721 -124.76 50.0151 PRESSAVG: 2400 -16.4839 4.90271 -30.2244 4.90268 5.87315 5.50947 -30.2244 5.50944 2.97232 GPRESSAVG: 2400 -15.6092 3.26558 -30.4844 3.21719 5.41034 5.38984 -28.127 4.86195 2.96608 TIMING: 2400 CPU: 7.7169, 0.00313166/step Wall: 7.7169, 0.00313166/step, 4.34744 hours remaining, 220.566406 MB of memory in use. ENERGY: 2400 3974.8319 20570.5584 14427.3170 234.6706 -203495.9504 2920.8125 0.0000 0.0000 51768.6531 -109599.1070 297.5152 -161367.7601 -109240.5548 298.9703 137.4245 160.9593 761844.7716 -2.5462 -2.4109 PRESSURE: 2600 -368.123 96.5254 -166.344 96.5249 -182.872 6.18674 -166.344 6.18609 72.5192 GPRESSURE: 2600 -336.197 102.54 -178.999 156.342 -162.117 59.8356 -60.3177 -0.170675 89.8441 PRESSAVG: 2600 -78.4497 14.6778 -1.63005 14.6779 35.9525 -13.0123 -1.63002 -13.0124 25.6324 GPRESSAVG: 2600 -79.3888 15.3204 -0.276825 17.0784 36.3485 -13.141 -2.58553 -14.4431 26.312 TIMING: 2600 CPU: 8.34403, 0.00313563/step Wall: 8.34403, 0.00313563/step, 4.35278 hours remaining, 220.566406 MB of memory in use. ENERGY: 2600 4061.4085 20434.3071 14407.1749 238.7578 -203723.4669 2668.9709 0.0000 0.0000 51892.0388 -110020.8089 298.2243 -161912.8477 -109649.3273 298.4149 -159.4917 -136.1568 760417.3120 -5.6216 -5.5761 PRESSURE: 2800 16.4254 68.9784 -146.778 68.9789 -76.8859 9.90129 -146.778 9.90186 -148.653 GPRESSURE: 2800 37.1617 70.4343 -140.62 21.546 -26.6884 -35.9196 -104.524 -122.655 -141.266 PRESSAVG: 2800 -7.74064 20.1371 -23.3795 20.1371 -14.5218 6.14698 -23.3794 6.14703 2.13828 GPRESSAVG: 2800 -7.59456 19.9251 -25.0378 19.2366 -14.3069 6.9742 -22.6967 7.90165 1.80797 TIMING: 2800 CPU: 8.96784, 0.00311907/step Wall: 8.96784, 0.00311907/step, 4.32961 hours remaining, 220.566406 MB of memory in use. ENERGY: 2800 4024.7588 20522.1206 14390.8106 254.9812 -203527.5022 2801.5384 0.0000 0.0000 51811.3610 -109721.9316 297.7606 -161533.2926 -109367.0440 298.0837 -69.7045 -43.5976 761847.3413 -6.7081 -6.6978 PRESSURE: 3000 261.736 -325.997 -1.99428 -325.997 122.871 -113.741 -1.99378 -113.74 -129.47 GPRESSURE: 3000 367.398 -299.907 -116.936 -245.095 133.925 -122.781 -90.1187 -195.166 -160.983 PRESSAVG: 3000 7.53408 -49.8822 -81.0784 -49.8822 -46.4142 2.29563 -81.0783 2.29565 10.2582 GPRESSAVG: 3000 7.20417 -48.6028 -79.7791 -50.9227 -45.9639 1.10171 -82.2693 2.11398 10.2398 TIMING: 3000 CPU: 9.59945, 0.00315805/step Wall: 9.59945, 0.00315805/step, 4.38354 hours remaining, 220.566406 MB of memory in use. ENERGY: 3000 3969.4223 20528.0422 14364.5292 251.2471 -203688.6648 2899.1519 0.0000 0.0000 51828.1002 -109848.1720 297.8568 -161676.2722 -109477.7571 298.5271 85.0456 113.4467 761658.9695 -9.5406 -9.5067 PRESSURE: 3200 -125.345 -176.979 -9.92441 -176.979 62.8212 -33.0104 -9.92415 -33.0101 -23.1127 GPRESSURE: 3200 -80.1213 -126.598 -112.004 -163.768 99.573 -144.168 121.8 53.504 -19.9932 PRESSAVG: 3200 -8.86474 -46.9591 2.00855 -46.9591 2.57697 -14.2396 2.00855 -14.2396 5.99712 GPRESSAVG: 3200 -7.67122 -47.8451 1.93993 -43.373 1.55743 -13.4656 1.65959 -14.274 5.93727 TIMING: 3200 CPU: 10.2309, 0.00315733/step Wall: 10.2309, 0.00315733/step, 4.38238 hours remaining, 220.566406 MB of memory in use. ENERGY: 3200 3989.8110 20679.7492 14361.5522 263.3411 -203362.0644 2577.3196 0.0000 0.0000 51721.6184 -109768.6730 297.2449 -161490.2914 -109410.7550 298.1196 -28.5456 -0.1805 761483.1571 -0.0969 -0.0588 PRESSURE: 3400 81.0603 -57.7483 -225.847 -57.7494 -236.961 -82.0413 -225.846 -82.04 -122.748 GPRESSURE: 3400 83.3894 -111.736 -215.682 10.5762 -200.775 -60.3027 -170.695 -105.237 -83.844 PRESSAVG: 3400 -23.8323 -54.3559 -31.7816 -54.3559 -41.2619 9.13021 -31.7816 9.13017 -25.1648 GPRESSAVG: 3400 -24.155 -52.9902 -31.398 -56.7788 -41.6874 7.6005 -32.9992 9.11625 -24.0852 TIMING: 3400 CPU: 10.8576, 0.00313342/step Wall: 10.8576, 0.00313342/step, 4.34901 hours remaining, 220.566406 MB of memory in use. ENERGY: 3400 4000.8587 20458.3060 14358.5424 243.4337 -203831.6786 2805.0728 0.0000 0.0000 51837.6900 -110127.7750 297.9119 -161965.4650 -109768.3051 297.5648 -92.8827 -67.0766 762096.5896 -30.0863 -29.9758 PRESSURE: 3600 284.161 34.8638 -190.729 34.8636 -154.607 212.364 -190.728 212.365 -21.296 GPRESSURE: 3600 253.381 -136.959 -190.72 45.4244 -6.18766 266.653 -145.568 143.767 -54.5683 PRESSAVG: 3600 25.5712 -38.2218 -27.4678 -38.2218 -0.156064 -6.67012 -27.4677 -6.67017 4.24542 GPRESSAVG: 3600 25.2211 -40.7706 -27.7295 -40.0012 0.422695 -5.04429 -23.4066 -6.15031 3.63386 TIMING: 3600 CPU: 11.4837, 0.00313058/step Wall: 11.4837, 0.00313058/step, 4.3449 hours remaining, 220.566406 MB of memory in use. ENERGY: 3600 3955.8818 20647.9650 14311.6552 251.8565 -203854.4979 2896.0561 0.0000 0.0000 51689.8912 -110101.1923 297.0625 -161791.0834 -109743.0509 297.7238 36.0859 64.2083 761461.7916 9.8869 9.7592 PRESSURE: 3800 44.2797 -77.026 240.872 -77.0254 64.404 18.8249 240.872 18.8245 305.107 GPRESSURE: 3800 77.3839 -102.337 291.148 -37.5385 144.037 124.634 170.581 15.8181 282.759 PRESSAVG: 3800 -1.83208 20.9329 9.131 20.933 -21.0369 25.2623 9.13111 25.2623 0.555825 GPRESSAVG: 3800 -2.50953 22.333 8.39851 22.2167 -20.5229 25.1724 6.4575 26.2023 0.704874 TIMING: 3800 CPU: 12.1104, 0.0031335/step Wall: 12.1104, 0.0031335/step, 4.34877 hours remaining, 220.566406 MB of memory in use. ENERGY: 3800 4016.4369 20546.9524 14435.0074 255.1678 -204196.1860 3105.5800 0.0000 0.0000 51834.8138 -110002.2277 297.8954 -161837.0416 -109641.2594 298.6512 137.9304 168.0600 759736.5136 -7.4377 -7.4425 PRESSURE: 4000 -418.071 9.12338 146.738 9.12313 112.778 -37.0123 146.738 -37.011 86.286 GPRESSURE: 4000 -378.902 -24.2287 154.011 -45.8992 59.6185 -185.02 216.063 19.01 183.732 PRESSAVG: 4000 11.8171 -31.4136 13.9582 -31.4136 -17.9034 18.3557 13.9583 18.3557 34.4389 GPRESSAVG: 4000 11.214 -31.618 14.1096 -30.4464 -17.4273 17.934 14.9344 16.0586 34.5087 TIMING: 4000 CPU: 12.7342, 0.00311899/step Wall: 12.7342, 0.00311899/step, 4.32846 hours remaining, 220.566406 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: 4000 4011.6052 20464.8592 14338.8866 228.2004 -203750.8798 2736.7495 0.0000 0.0000 52133.5268 -109837.0520 299.6121 -161970.5788 -109475.8966 298.0252 -73.0021 -45.1838 761631.7981 9.4508 9.4318 PRESSURE: 4200 -62.1828 -65.4232 -209.452 -65.4229 -54.7666 -52.9694 -209.452 -52.9689 -34.4178 GPRESSURE: 4200 34.5051 35.9521 -150.847 -160.586 5.19754 43.8908 -202.274 -32.8994 -85.3196 PRESSAVG: 4200 96.939 -61.7682 -4.83206 -61.7681 -22.7571 0.967565 -4.83209 0.967635 -9.37331 GPRESSAVG: 4200 96.6099 -61.7861 -5.04419 -63.9957 -23.0939 1.09806 -4.51423 1.63161 -8.80582 TIMING: 4200 CPU: 13.3575, 0.00311624/step Wall: 13.3575, 0.00311624/step, 4.32447 hours remaining, 220.566406 MB of memory in use. ENERGY: 4200 4057.8887 20418.5027 14424.0724 254.4733 -203549.1141 2775.9663 0.0000 0.0000 51944.3578 -109673.8530 298.5249 -161618.2108 -109304.9672 298.6030 -50.4557 -15.2057 760349.2853 21.6029 21.5701 LDB: ============= START OF LOAD BALANCING ============== 25.8856 LDB: ============== END OF LOAD BALANCING =============== 25.8858 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 25.8873 LDB: ============= START OF LOAD BALANCING ============== 26.2 LDB: Largest compute 7029 load 0.030687 is 15.8% of average load 0.193774 LDB: Average compute 0.004373 is 2.3% of average load 0.193774 LDB: TIME 26.2033 LOAD: AVG 0.193774 MAX 0.212278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.945 MB LDB: TIME 26.2037 LOAD: AVG 0.193774 MAX 0.212278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.945 MB LDB: TIME 26.2038 LOAD: AVG 0.193774 MAX 0.212278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.945 MB LDB: ============== END OF LOAD BALANCING =============== 26.2058 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 26.2106 PRESSURE: 4400 231.127 -75.8542 -170.297 -75.8544 196.466 188.027 -170.298 188.026 -139.039 GPRESSURE: 4400 362.251 -37.3329 -165.381 71.2797 152.281 134.49 -171.245 141.894 -124.877 PRESSAVG: 4400 26.5534 -68.3071 -20.7867 -68.3071 -23.8779 -17.6959 -20.7867 -17.6958 26.1926 GPRESSAVG: 4400 28.4634 -68.2271 -20.6251 -67.5321 -25.0721 -17.9369 -21.297 -17.9734 25.9361 TIMING: 4400 CPU: 13.9937, 0.00318135/step Wall: 13.9937, 0.00318135/step, 4.41466 hours remaining, 223.265625 MB of memory in use. ENERGY: 4400 3956.0503 20544.7924 14372.7996 269.1594 -203971.1540 3182.8371 0.0000 0.0000 51910.1225 -109735.3928 298.3282 -161645.5153 -109380.4929 298.3882 96.1845 129.8849 761896.7775 9.6227 9.7758 PRESSURE: 4600 9.44777 -165.11 -126.906 -165.11 266.292 -87.9152 -126.906 -87.9145 -133.488 GPRESSURE: 4600 110.62 -157.835 -63.994 -170.735 266.937 -76.8666 -90.2327 -52.4543 -157.131 PRESSAVG: 4600 -18.8876 -49.1319 -27.4123 -49.1319 -13.0704 -15.5627 -27.4122 -15.5627 0.57566 GPRESSAVG: 4600 -20.5776 -48.5227 -28.0048 -47.9155 -11.6189 -15.8191 -27.4413 -17.5499 0.943054 TIMING: 4600 CPU: 14.6191, 0.00312701/step Wall: 14.6191, 0.00312701/step, 4.33908 hours remaining, 223.265625 MB of memory in use. ENERGY: 4600 3962.8021 20389.2027 14445.1474 239.4906 -203549.1052 2776.7608 0.0000 0.0000 51993.6909 -109742.0107 298.8085 -161735.7015 -109375.0218 298.7230 47.4175 73.4751 762411.1595 -10.4608 -10.4178 PRESSURE: 4800 -296.881 139.035 -30.9009 139.035 67.9781 -217.096 -30.9009 -217.095 -42.6773 GPRESSURE: 4800 -128.515 117.294 32.2739 125.423 -0.252377 -288.146 -131.193 -108.802 -65.4464 PRESSAVG: 4800 -19.9031 -22.1266 -18.6714 -22.1266 -2.44125 -7.87137 -18.6714 -7.87139 -6.51094 GPRESSAVG: 4800 -18.7483 -22.9571 -17.1412 -21.184 -2.67026 -8.78226 -19.3602 -6.79778 -8.16624 TIMING: 4800 CPU: 15.2446, 0.00312756/step Wall: 15.2446, 0.00312756/step, 4.33967 hours remaining, 223.265625 MB of memory in use. ENERGY: 4800 4001.1261 20707.7124 14319.1575 253.6743 -203753.1700 2989.8982 0.0000 0.0000 51685.4272 -109796.1744 297.0369 -161481.6016 -109443.8995 298.5004 -90.5266 -64.7380 763095.4500 -9.6184 -9.8616 PRESSURE: 5000 -139.808 45.9906 -153.448 45.9898 -135.475 -108.789 -153.448 -108.789 -232.942 GPRESSURE: 5000 -114.496 91.0212 -172.82 189.316 -75.7135 -94.9024 -182.499 -89.4772 -225.503 PRESSAVG: 5000 47.4126 -26.0944 -2.00892 -26.0943 -43.1871 -44.898 -2.00892 -44.898 -11.1583 GPRESSAVG: 5000 48.1005 -26.4952 -2.01871 -27.4937 -44.346 -44.9335 -2.10696 -45.138 -10.7829 TIMING: 5000 CPU: 15.8702, 0.00312764/step Wall: 15.8702, 0.00312764/step, 4.3396 hours remaining, 223.265625 MB of memory in use. ENERGY: 5000 4027.3730 20432.8095 14405.8913 248.8237 -203597.5375 2769.0369 0.0000 0.0000 52030.1750 -109683.4280 299.0181 -161713.6030 -109323.5729 298.5019 -169.4083 -138.5708 762569.3693 -2.3109 -2.3428 PRESSURE: 5200 153.227 -45.4758 -113.572 -45.4768 -376.625 85.4741 -113.572 85.4734 49.2861 GPRESSURE: 5200 121.784 -24.7662 -107.783 34.3611 -302.129 37.8794 -102.624 99.7892 96.5404 PRESSAVG: 5200 -19.1442 -28.172 -24.4974 -28.172 -19.5856 -15.1616 -24.4974 -15.1617 -4.22014 GPRESSAVG: 5200 -20.7691 -26.7949 -25.502 -30.2988 -19.4687 -14.9333 -23.3195 -15.4926 -2.60653 TIMING: 5200 CPU: 16.4977, 0.00313757/step Wall: 16.4977, 0.00313757/step, 4.3532 hours remaining, 223.265625 MB of memory in use. ENERGY: 5200 4002.0836 20298.1588 14418.6768 260.1900 -203569.9044 2805.7684 0.0000 0.0000 51962.2206 -109822.8062 298.6276 -161785.0268 -109463.9472 298.3332 -58.0372 -27.9346 762727.4561 -14.3166 -14.2815 PRESSURE: 5400 -116.587 -126.735 -32.7323 -126.734 100.126 -165.423 -32.7319 -165.424 -37.568 GPRESSURE: 5400 -138.943 -69.6586 18.1241 -174.759 149.14 -109.345 -2.13914 -244.236 1.22427 PRESSAVG: 5400 -6.28546 2.98055 -44.1235 2.98056 25.159 -28.5392 -44.1235 -28.5392 -23.6204 GPRESSAVG: 5400 -5.38897 1.88697 -43.2449 3.16197 24.5465 -28.4395 -44.8358 -27.841 -24.2255 TIMING: 5400 CPU: 17.1258, 0.00314039/step Wall: 17.1258, 0.00314039/step, 4.35694 hours remaining, 223.265625 MB of memory in use. ENERGY: 5400 4004.4051 20282.2499 14311.3142 245.6705 -202972.4554 2566.2279 0.0000 0.0000 51815.8336 -109746.7542 297.7863 -161562.5878 -109386.8092 298.0502 -18.0098 3.8070 764277.2003 -1.5823 -1.6893 PRESSURE: 5600 377.612 -76.0958 -148.764 -76.0966 290.206 -107.732 -148.764 -107.733 217.811 GPRESSURE: 5600 411.767 -34.948 -94.4201 34.3332 310.572 -140.68 -211.212 -60.1187 246.667 PRESSAVG: 5600 69.2173 10.2023 -46.1503 10.2024 -50.4378 -1.95035 -46.1502 -1.95037 2.64258 GPRESSAVG: 5600 68.3576 8.67126 -45.1306 12.8103 -50.3986 -1.78912 -46.8721 -0.39359 3.17788 TIMING: 5600 CPU: 17.7536, 0.00313922/step Wall: 17.7536, 0.00313922/step, 4.35514 hours remaining, 223.265625 MB of memory in use. ENERGY: 5600 3960.0560 20388.5910 14424.7584 243.8160 -203683.4639 2882.2882 0.0000 0.0000 52256.4821 -109527.4722 300.3187 -161783.9543 -109160.3453 298.0467 295.2097 323.0020 761256.0056 7.1407 7.0456 PRESSURE: 5800 -420.314 56.715 91.6131 56.7147 -147.334 69.5747 91.6135 69.575 -529.297 GPRESSURE: 5800 -314.264 96.2633 136.015 126.889 -230.01 84.735 229.09 97.4248 -454.65 PRESSAVG: 5800 30.1883 20.3239 0.451511 20.3238 -7.15956 35.1162 0.451505 35.1162 21.6416 GPRESSAVG: 5800 30.4447 21.0879 -0.0666348 19.6639 -7.87334 34.9703 -0.317734 33.1395 22.0404 TIMING: 5800 CPU: 18.38, 0.0031318/step Wall: 18.38, 0.0031318/step, 4.34467 hours remaining, 223.265625 MB of memory in use. ENERGY: 5800 4072.7064 20601.8654 14396.9216 251.0807 -202769.2475 2391.5572 0.0000 0.0000 51643.5606 -109411.5555 296.7963 -161055.1161 -109064.3639 298.3080 -365.6482 -332.9749 764248.5066 14.8901 14.8706 PRESSURE: 6000 391.823 -55.2979 -26.4399 -55.298 285.77 9.73176 -26.4399 9.73401 18.7823 GPRESSURE: 6000 335.319 -29.4118 -57.2044 -59.6779 298.734 34.2169 -177.907 -24.475 134.849 PRESSAVG: 6000 -12.9203 11.0968 56.9881 11.0968 -3.6858 -17.8236 56.9882 -17.8236 3.04761 GPRESSAVG: 6000 -13.6623 11.908 56.4557 10.716 -2.98388 -15.9765 58.8652 -18.0385 2.65512 TIMING: 6000 CPU: 19.005, 0.00312505/step Wall: 19.005, 0.00312505/step, 4.33513 hours remaining, 223.265625 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: 6000 3983.3350 20509.9193 14402.5845 264.1864 -203156.1273 2594.3386 0.0000 0.0000 52081.6136 -109320.1500 299.3137 -161401.7636 -108956.7151 298.9982 232.1250 256.3007 761463.2839 -4.5195 -4.6637 PRESSURE: 6200 -31.3113 -14.17 30.2514 -14.1691 86.909 27.1499 30.2527 27.1493 12.2452 GPRESSURE: 6200 24.6785 -52.5488 157.246 -67.976 54.9673 -28.9718 -41.0161 112.832 68.0502 PRESSAVG: 6200 -39.5439 -16.5612 30.3317 -16.5613 3.7546 -15.1249 30.3317 -15.1249 14.7283 GPRESSAVG: 6200 -39.5523 -16.3708 30.9628 -16.9689 2.39074 -15.126 29.5599 -13.5065 15.4096 TIMING: 6200 CPU: 19.6326, 0.00313823/step Wall: 19.6326, 0.00313823/step, 4.35325 hours remaining, 223.523438 MB of memory in use. ENERGY: 6200 3988.4294 20399.5575 14418.0087 257.3578 -203056.1076 2650.7375 0.0000 0.0000 52000.8322 -109341.1844 298.8495 -161342.0166 -108980.8032 298.5508 22.6143 49.2320 761722.9247 -7.0203 -7.2506 PRESSURE: 6400 -63.726 -102.757 205.986 -102.758 -53.3836 247.895 205.987 247.895 123.642 GPRESSURE: 6400 40.5253 -90.3895 229.293 21.6486 -87.5681 241.195 260.941 257.385 127.329 PRESSAVG: 6400 21.6972 34.2494 -70.5913 34.2493 -20.7775 19.7991 -70.5913 19.7991 17.2758 GPRESSAVG: 6400 22.5287 32.5973 -72.4169 36.1558 -19.6693 20.7002 -70.2131 18.452 15.4852 TIMING: 6400 CPU: 20.2668, 0.00317079/step Wall: 20.2668, 0.00317079/step, 4.39823 hours remaining, 223.523438 MB of memory in use. ENERGY: 6400 3932.8547 20461.9532 14397.1728 248.8311 -203114.3256 2494.8711 0.0000 0.0000 51966.7235 -109611.9193 298.6535 -161578.6428 -109256.7935 298.6471 2.1773 26.7621 761309.4373 6.0652 6.1149 PRESSURE: 6600 132.105 79.7877 -95.2343 79.7879 -108.085 2.0728 -95.2338 2.07338 84.0442 GPRESSURE: 6600 81.7144 48.2789 -120.282 -21.5629 -62.2285 -55.0683 -196.755 -47.9424 160.705 PRESSAVG: 6600 -28.7643 40.6653 10.7705 40.6653 -20.0911 -23.8581 10.7705 -23.8581 20.3027 GPRESSAVG: 6600 -28.3657 39.4787 11.9733 41.6767 -20.7316 -25.023 10.8875 -25.2044 20.6998 TIMING: 6600 CPU: 20.9003, 0.00316781/step Wall: 20.9003, 0.00316781/step, 4.39393 hours remaining, 223.523438 MB of memory in use. ENERGY: 6600 3945.6262 20437.2464 14398.0431 268.5828 -203231.9590 2587.7564 0.0000 0.0000 51903.7709 -109690.9331 298.2917 -161594.7041 -109329.0085 298.3000 36.0213 60.0636 761240.2352 -9.5176 -9.4658 PRESSURE: 6800 12.001 78.1165 -3.43845 78.1164 75.4708 -1.25564 -3.43863 -1.25414 278.957 GPRESSURE: 6800 -5.56564 76.1061 11.8773 100.215 141.638 -1.40803 -62.667 -36.4751 308.203 PRESSAVG: 6800 -11.0067 20.5134 -65.5194 20.5135 18.8902 8.37957 -65.5195 8.37957 -25.5766 GPRESSAVG: 6800 -11.0476 25.1119 -66.9989 17.3974 18.1453 6.16722 -65.1344 11.4648 -24.5566 TIMING: 6800 CPU: 21.5324, 0.00316022/step Wall: 21.5324, 0.00316022/step, 4.38322 hours remaining, 223.523438 MB of memory in use. ENERGY: 6800 3960.0824 20411.1310 14428.1813 252.4150 -203515.4305 3099.3308 0.0000 0.0000 51666.6870 -109697.6029 296.9292 -161364.2899 -109344.2983 297.9298 122.1428 148.0917 761464.5959 -5.8977 -5.8196 PRESSURE: 7000 -138.665 -199.438 -280.299 -199.438 -58.2364 62.8468 -280.299 62.8462 125.893 GPRESSURE: 7000 -200.108 -144.701 -260.432 -94.7184 106.799 153.113 -267.047 3.29526 93.6305 PRESSAVG: 7000 -24.3295 -8.22238 -34.9447 -8.2224 0.350861 65.489 -34.9447 65.4891 13.9053 GPRESSAVG: 7000 -23.2208 -11.7138 -33.5396 -6.95001 1.28197 67.9537 -35.2256 63.4369 11.6769 TIMING: 7000 CPU: 22.1674, 0.00317525/step Wall: 22.1674, 0.00317525/step, 4.4039 hours remaining, 223.601562 MB of memory in use. ENERGY: 7000 3967.5143 20429.5785 14336.1431 260.7017 -202812.0017 2496.8800 0.0000 0.0000 51546.1171 -109775.0669 296.2362 -161321.1840 -109420.9552 298.3269 -23.6694 0.1074 761545.3753 -3.3578 -3.4206 PRESSURE: 7200 78.0339 -100.998 84.1838 -100.998 -100.43 -49.6571 84.1834 -49.6574 474.794 GPRESSURE: 7200 74.1227 -209.855 43.2234 -206.229 46.6891 49.1307 97.2222 -82.9127 425.012 PRESSAVG: 7200 30.1287 -36.7225 -62.4266 -36.7225 -48.1175 8.91598 -62.4267 8.91596 24.1244 GPRESSAVG: 7200 29.7322 -35.875 -62.6714 -39.138 -47.4185 7.18614 -61.3452 9.58575 24.1701 TIMING: 7200 CPU: 22.7975, 0.00315043/step Wall: 22.7975, 0.00315043/step, 4.3693 hours remaining, 223.601562 MB of memory in use. ENERGY: 7200 4000.1149 20291.0642 14366.9315 251.3354 -203652.0204 2655.0472 0.0000 0.0000 51980.5413 -110106.9858 298.7329 -162087.5270 -109747.7791 298.0540 150.7992 181.9413 760194.2635 2.0452 2.1612 PRESSURE: 7400 271.481 80.5493 215.173 80.5489 240.509 -114.611 215.173 -114.61 237.43 GPRESSURE: 7400 346.528 -5.48889 274.749 111.505 235.234 -177.6 155.333 18.8775 249.893 PRESSAVG: 7400 6.08759 -56.9337 35.5668 -56.9338 7.23062 -56.5234 35.5667 -56.5234 2.37625 GPRESSAVG: 7400 5.66475 -58.3813 36.4543 -54.3141 6.3693 -57.6621 33.9531 -55.6311 3.66941 TIMING: 7400 CPU: 23.4248, 0.00313627/step Wall: 23.4248, 0.00313627/step, 4.34948 hours remaining, 223.601562 MB of memory in use. ENERGY: 7400 3959.4655 20235.1902 14459.0707 255.5770 -203875.1592 2997.7632 0.0000 0.0000 51952.0305 -110016.0621 298.5690 -161968.0926 -109650.0532 297.8517 249.8064 277.2183 760880.4149 5.2315 5.2345 PRESSURE: 7600 45.2635 199.277 -32.3509 199.276 -48.4961 -65.1555 -32.3509 -65.1553 83.7583 GPRESSURE: 7600 53.6079 244.513 76.869 178.463 -26.8497 -37.6651 -30.7846 64.4751 152.348 PRESSAVG: 7600 -32.6951 -45.6233 1.72168 -45.6233 4.21309 -22.3864 1.72177 -22.3863 -17.7366 GPRESSAVG: 7600 -32.2526 -43.6419 0.748915 -48.3006 3.03803 -20.5208 3.03826 -23.0128 -16.6781 TIMING: 7600 CPU: 24.0479, 0.00311562/step Wall: 24.0479, 0.00311562/step, 4.32068 hours remaining, 223.601562 MB of memory in use. ENERGY: 7600 3938.3992 20568.4947 14400.5881 238.5777 -203690.0228 2708.1632 0.0000 0.0000 51871.1636 -109964.6363 298.1043 -161835.7999 -109613.1262 298.0261 26.8419 59.7019 761365.7240 -15.4062 -15.2976 PRESSURE: 7800 -82.1988 60.7895 -119.418 60.7897 111.269 152.467 -119.418 152.467 -248.545 GPRESSURE: 7800 -43.8781 62.0581 -111.061 -13.9007 103.761 242.47 -126.066 29.4539 -199.259 PRESSAVG: 7800 14.6971 17.6205 -49.5304 17.6205 -3.56317 -40.4571 -49.5303 -40.457 -1.5967 GPRESSAVG: 7800 14.0327 16.7431 -48.4982 20.5754 -2.26012 -42.0941 -51.6213 -40.8893 -2.76979 TIMING: 7800 CPU: 24.6718, 0.00311946/step Wall: 24.6718, 0.00311946/step, 4.32582 hours remaining, 223.601562 MB of memory in use. ENERGY: 7800 3925.9640 20456.3159 14512.2353 238.1361 -203755.8247 2847.3815 0.0000 0.0000 52132.7376 -109643.0543 299.6076 -161775.7919 -109282.4989 298.2036 -73.1584 -46.4584 760548.4184 3.1791 3.0009 PRESSURE: 8000 19.8631 187.321 -215.99 187.322 81.0583 -23.0238 -215.99 -23.0229 136.602 GPRESSURE: 8000 -22.0438 217.569 -195.089 66.2138 129.555 12.103 -177.128 63.5952 200.083 PRESSAVG: 8000 15.9467 66.0304 -27.5053 66.0304 -30.0965 24.4772 -27.5053 24.4771 -14.3127 GPRESSAVG: 8000 16.0379 65.9332 -27.7387 65.2952 -29.6221 25.8381 -25.9636 23.8294 -14.3351 TIMING: 8000 CPU: 25.3031, 0.00315668/step Wall: 25.3031, 0.00315668/step, 4.37727 hours remaining, 223.601562 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: 8000 4068.6515 20298.0221 14512.5669 264.9343 -203381.5159 2736.3920 0.0000 0.0000 51629.7728 -109871.1764 296.7170 -161500.9492 -109508.8461 298.3770 79.1745 102.5312 761878.9839 -9.4875 -9.3064 PRESSURE: 8200 -21.9885 -91.5938 -168.882 -91.5941 -67.2109 -289.857 -168.882 -289.857 10.8396 GPRESSURE: 8200 9.15565 -102.089 -117.141 -20.4205 -9.15377 -374.646 -171.854 -283.8 -1.49052 PRESSAVG: 8200 -30.3067 -2.87467 8.88721 -2.87469 -5.67436 31.9883 8.88719 31.9883 2.42533 GPRESSAVG: 8200 -28.3439 -1.94088 8.30163 -4.568 -6.16283 32.4227 9.36809 32.0235 1.43689 TIMING: 8200 CPU: 25.9367, 0.0031677/step Wall: 25.9367, 0.0031677/step, 4.39237 hours remaining, 223.601562 MB of memory in use. ENERGY: 8200 4021.2037 20481.6015 14372.4047 241.7350 -203347.2302 2721.7407 0.0000 0.0000 51709.3965 -109799.1481 297.1746 -161508.5446 -109435.1228 297.7188 -26.1199 -0.4962 762953.5890 -11.1852 -11.0233 LDB: ============= START OF LOAD BALANCING ============== 38.4675 LDB: ============== END OF LOAD BALANCING =============== 38.4677 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.4693 LDB: ============= START OF LOAD BALANCING ============== 38.7834 LDB: Largest compute 7041 load 0.032105 is 16.5% of average load 0.194124 LDB: Average compute 0.004363 is 2.2% of average load 0.194124 LDB: TIME 38.7868 LOAD: AVG 0.194124 MAX 0.212554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.961 MB LDB: TIME 38.7872 LOAD: AVG 0.194124 MAX 0.212554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.961 MB LDB: TIME 38.7873 LOAD: AVG 0.194124 MAX 0.212554 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.961 MB LDB: ============== END OF LOAD BALANCING =============== 38.7893 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 38.7939 PRESSURE: 8400 -4.45722 193.441 -175.542 193.441 207.406 -184.871 -175.542 -184.871 -25.4919 GPRESSURE: 8400 85.9872 209.573 -104.591 226.03 209.081 -145.437 -122.286 -172.67 -49.7477 PRESSAVG: 8400 -23.9024 -52.2696 -41.7679 -52.2695 -0.443896 -65.9316 -41.7679 -65.9316 -4.36701 GPRESSAVG: 8400 -25.5388 -52.358 -42.0454 -51.1311 0.824902 -66.6076 -42.0473 -64.946 -4.31212 TIMING: 8400 CPU: 26.5773, 0.0032032/step Wall: 26.5773, 0.0032032/step, 4.44141 hours remaining, 221.226562 MB of memory in use. ENERGY: 8400 3982.5675 20605.4048 14395.6365 242.5582 -203431.8187 2641.6089 0.0000 0.0000 51859.8755 -109704.1672 298.0394 -161564.0427 -109345.3201 297.6998 59.1523 81.7734 762406.4107 -9.5711 -9.6753 PRESSURE: 8600 158.451 92.8227 145.926 92.8224 262.735 3.76704 145.926 3.76827 -145.149 GPRESSURE: 8600 153.409 134.336 184.442 76.8138 262.144 7.76357 105.923 -13.5617 -56.9106 PRESSAVG: 8600 -4.22745 50.3842 35.3411 50.3843 47.0615 -49.9199 35.3411 -49.9199 8.71556 GPRESSAVG: 8600 -4.42237 50.2831 36.7939 47.4662 46.2508 -49.5822 33.7906 -51.141 9.63481 TIMING: 8600 CPU: 27.204, 0.00313342/step Wall: 27.204, 0.00313342/step, 4.34448 hours remaining, 221.425781 MB of memory in use. ENERGY: 8600 3952.7622 20447.4606 14420.0778 223.7350 -203688.9236 3037.0901 0.0000 0.0000 52005.6170 -109602.1809 298.8770 -161607.7979 -109238.2707 298.5381 92.0123 119.5474 761783.4884 17.1832 17.1544 PRESSURE: 8800 -603.935 264.186 -39.1073 264.187 -52.6321 -60.214 -39.1069 -60.214 -331.968 GPRESSURE: 8800 -532.127 252.828 -62.7359 298.957 -121.111 -101.662 -75.6102 -161.535 -255.362 PRESSAVG: 8800 -36.6698 11.7184 46.0182 11.7184 57.8708 -30.4771 46.0182 -30.477 2.42028 GPRESSAVG: 8800 -35.6497 12.2902 45.7629 15.2647 57.5994 -31.8868 47.9549 -30.1125 1.50483 TIMING: 8800 CPU: 27.8297, 0.00312849/step Wall: 27.8297, 0.00312849/step, 4.33748 hours remaining, 221.425781 MB of memory in use. ENERGY: 8800 4029.9859 20475.3278 14379.3745 259.7425 -203348.7963 2645.9577 0.0000 0.0000 51824.5642 -109733.8437 297.8365 -161558.4079 -109371.6401 298.6227 -329.5118 -302.8664 761464.1106 7.8738 7.8182 PRESSURE: 9000 162.195 132.232 46.9111 132.232 233.006 -188.545 46.9116 -188.545 51.7913 GPRESSURE: 9000 306.16 101.248 128.348 19.9739 210.227 -233.367 -42.5863 -237.529 33.7971 PRESSAVG: 9000 -5.37952 45.849 -10.2806 45.8489 6.30015 -75.9441 -10.2806 -75.944 -7.47189 GPRESSAVG: 9000 -6.47412 46.3338 -12.8866 45.2214 6.22416 -75.8577 -12.2498 -76.0594 -6.13688 TIMING: 9000 CPU: 28.4549, 0.0031259/step Wall: 28.4549, 0.0031259/step, 4.33371 hours remaining, 221.425781 MB of memory in use. ENERGY: 9000 3932.3028 20365.5170 14469.5830 245.2433 -203450.5905 2572.6846 0.0000 0.0000 51974.6288 -109890.6310 298.6989 -161865.2598 -109533.0933 298.4564 148.9972 183.3947 760614.9074 -2.1838 -2.1289 PRESSURE: 9200 140.31 -112.99 -52.1507 -112.989 -257.052 9.73114 -52.1511 9.73165 -473.648 GPRESSURE: 9200 118.409 -104.615 28.7261 -47.6059 -275.56 25.3301 -50.1765 107.586 -342.654 PRESSAVG: 9200 -18.7318 3.11804 -8.3997 3.11801 4.90814 -35.7134 -8.39966 -35.7135 3.9631 GPRESSAVG: 9200 -17.8235 2.50393 -5.80961 2.36727 3.6195 -36.2761 -7.9398 -33.9929 3.5017 TIMING: 9200 CPU: 29.0868, 0.00315957/step Wall: 29.0868, 0.00315957/step, 4.38022 hours remaining, 221.425781 MB of memory in use. ENERGY: 9200 3991.5032 20366.2988 14431.1539 257.1271 -203736.9134 2825.7273 0.0000 0.0000 51890.7003 -109974.4028 298.2166 -161865.1031 -109602.3130 297.6992 -196.7965 -166.6020 760987.4614 -3.2869 -3.5674 PRESSURE: 9400 225.539 -71.1406 157.424 -71.141 -466.88 -41.7127 157.425 -41.7128 13.1338 GPRESSURE: 9400 222.355 -13.105 135.659 -58.5883 -356.219 -35.8274 181.541 -1.53877 13.3889 PRESSAVG: 9400 37.8052 12.0303 18.6479 12.0303 -1.63803 -32.0511 18.6479 -32.0511 4.98741 GPRESSAVG: 9400 38.0367 10.6596 18.1572 13.4284 0.0660834 -30.4725 21.0587 -32.254 3.20576 TIMING: 9400 CPU: 29.7146, 0.00313897/step Wall: 29.7146, 0.00313897/step, 4.35149 hours remaining, 221.425781 MB of memory in use. ENERGY: 9400 4003.5728 20275.5633 14451.4387 251.9021 -203471.1085 2640.6599 0.0000 0.0000 51882.2451 -109965.7266 298.1680 -161847.9717 -109598.4310 297.5232 -76.0693 -40.1587 761916.9244 13.7182 13.7695 PRESSURE: 9600 -171.786 -132.712 -75.5213 -132.711 -141.748 -116.821 -75.5206 -116.821 -28.1746 GPRESSURE: 9600 -56.2853 -94.1145 -2.29376 -92.7413 -140.774 -64.3326 -45.5884 -158.043 -59.9036 PRESSAVG: 9600 -13.4474 50.7437 11.8069 50.7437 16.6439 -21.9019 11.8069 -21.9019 2.17966 GPRESSAVG: 9600 -15.4278 52.4114 11.9003 49.144 16.2831 -21.4329 8.708 -21.9023 4.09109 TIMING: 9600 CPU: 30.3467, 0.00316041/step Wall: 30.3467, 0.00316041/step, 4.38103 hours remaining, 221.425781 MB of memory in use. ENERGY: 9600 3936.5997 20296.7697 14447.6746 254.7636 -203519.2598 2572.9176 0.0000 0.0000 52068.8915 -109941.6432 299.2406 -162010.5347 -109572.5947 297.9687 -113.9028 -85.6543 762738.7480 1.7921 1.6488 PRESSURE: 9800 -182.092 64.617 21.1873 64.6165 260.914 -156.683 21.187 -156.681 -105.574 GPRESSURE: 9800 -118.109 56.0416 -61.1659 60.495 343.402 -36.0365 79.483 -190.028 -189.817 PRESSAVG: 9800 -37.7407 39.2708 9.27049 39.2708 73.1558 -9.00249 9.27048 -9.00249 19.4037 GPRESSAVG: 9800 -36.588 38.8228 8.18514 38.9056 72.1513 -8.17655 9.21243 -10.5057 18.7619 TIMING: 9800 CPU: 30.9785, 0.00315901/step Wall: 30.9785, 0.00315901/step, 4.37892 hours remaining, 221.425781 MB of memory in use. ENERGY: 9800 4005.0774 20529.1065 14372.7546 243.3004 -203770.9049 2912.6024 0.0000 0.0000 51801.4149 -109906.6486 297.7034 -161708.0635 -109547.7052 297.6288 -8.9174 11.8254 761968.2150 18.2729 18.1084 PRESSURE: 10000 327.919 32.1657 -13.1129 32.1649 -100.229 -140.922 -13.1123 -140.922 -202.359 GPRESSURE: 10000 301.974 81.7478 -12.573 110.276 -52.8322 -142.003 -77.561 -91.2019 -155.076 PRESSAVG: 10000 -50.8017 20.8351 29.2351 20.8352 36.1251 -25.9412 29.2351 -25.9411 -9.87102 GPRESSAVG: 10000 -51.3534 18.9101 30.1475 23.01 36.1941 -27.6061 29.9537 -24.9855 -9.5778 TIMING: 10000 CPU: 31.6055, 0.00313527/step Wall: 31.6055, 0.00313527/step, 4.34583 hours remaining, 221.425781 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: 10000 3955.0254 20500.8441 14393.6958 256.1869 -203389.7631 2861.4139 0.0000 0.0000 51771.7221 -109650.8750 297.5328 -161422.5971 -109290.3815 297.9624 8.4435 31.3552 762531.3529 -8.1825 -8.2457 PRESSURE: 10200 37.2529 130.8 169.649 130.799 111.855 3.99466 169.649 3.9948 -135.445 GPRESSURE: 10200 81.0086 102.237 224.065 101.351 98.5131 -23.7614 66.3798 25.4943 -80.1814 PRESSAVG: 10200 -2.71704 21.1324 11.8222 21.1323 -1.88143 -21.235 11.8222 -21.235 0.374696 GPRESSAVG: 10200 -3.6401 24.7222 10.8202 21.343 -1.1098 -20.8344 12.6293 -21.0944 0.817598 TIMING: 10200 CPU: 32.2386, 0.00316523/step Wall: 32.2386, 0.00316523/step, 4.38719 hours remaining, 221.425781 MB of memory in use. ENERGY: 10200 3895.8517 20391.0525 14415.9863 258.8904 -203282.9435 2750.7728 0.0000 0.0000 51918.9385 -109651.4512 298.3789 -161570.3898 -109273.1813 298.2736 4.5545 33.1134 761527.9968 -1.4079 -1.3108 PRESSURE: 10400 -50.706 -24.0679 -22.6161 -24.0669 255.716 154.894 -22.6151 154.894 -473.508 GPRESSURE: 10400 124.443 -99.0369 1.4851 -24.7098 230.324 147.403 -15.1622 187.048 -524.65 PRESSAVG: 10400 -13.5341 53.5802 -22.6612 53.5803 -14.9241 -6.21165 -22.6612 -6.21167 -16.7947 GPRESSAVG: 10400 -10.9931 52.5608 -20.6687 53.5553 -15.5207 -5.73164 -22.8673 -7.03439 -18.8409 TIMING: 10400 CPU: 32.8733, 0.00317389/step Wall: 32.8733, 0.00317389/step, 4.39902 hours remaining, 221.425781 MB of memory in use. ENERGY: 10400 3989.3553 20502.5512 14461.2626 241.0052 -203559.9178 2765.4991 0.0000 0.0000 51788.8326 -109811.4118 297.6311 -161600.2444 -109449.2868 298.0609 -89.4993 -56.6277 762267.7262 -15.0843 -15.1182 PRESSURE: 10600 328.256 23.9157 22.2156 23.9152 152.683 78.7981 22.216 78.7982 369.776 GPRESSURE: 10600 462.631 52.1668 127.688 -50.9783 138.473 86.7527 -6.41419 62.8617 323.848 PRESSAVG: 10600 80.4652 33.8948 -5.00342 33.8948 -12.8122 -17.2702 -5.00342 -17.2701 14.8487 GPRESSAVG: 10600 79.9193 32.1404 -6.2356 33.0666 -12.5599 -18.246 -5.46979 -16.7764 15.5994 TIMING: 10600 CPU: 33.5059, 0.00316259/step Wall: 33.5059, 0.00316259/step, 4.38317 hours remaining, 221.425781 MB of memory in use. ENERGY: 10600 4046.5528 20340.4533 14423.4657 249.4937 -203585.3966 2892.9627 0.0000 0.0000 51674.2444 -109958.2239 296.9726 -161632.4683 -109599.8061 297.6624 283.5715 308.3172 761895.5440 27.5005 27.6529 PRESSURE: 10800 119.221 87.4077 83.0557 87.4077 -513.553 -27.1013 83.0562 -27.1016 -130.519 GPRESSURE: 10800 -3.88373 124.794 132.8 -10.4581 -391.281 92.2062 111.513 -83.2032 -58.549 PRESSAVG: 10800 1.44256 10.7884 -24.118 10.7885 17.1186 -50.205 -24.118 -50.205 -6.29983 GPRESSAVG: 10800 0.580923 10.4493 -25.4208 9.83183 17.1535 -50.741 -25.0045 -50.5133 -5.99536 TIMING: 10800 CPU: 34.1381, 0.00316124/step Wall: 34.1381, 0.00316124/step, 4.38113 hours remaining, 221.425781 MB of memory in use. ENERGY: 10800 4019.6279 20497.5572 14440.5233 237.5602 -203048.6516 2536.5611 0.0000 0.0000 51657.3135 -109659.5085 296.8753 -161316.8219 -109302.8322 298.1863 -174.9505 -151.2380 762570.7356 4.0871 3.9130 PRESSURE: 11000 48.9928 -183.504 62.3844 -183.505 -61.6427 75.2327 62.3848 75.232 244.195 GPRESSURE: 11000 84.2519 3.53586 -31.0692 -98.186 24.9242 131.99 2.47267 203.197 204.251 PRESSAVG: 11000 16.9886 16.6151 -10.5916 16.6151 -22.7965 -7.70999 -10.5917 -7.71009 -7.78234 GPRESSAVG: 11000 16.3038 19.167 -8.7963 18.0778 -22.8468 -9.27467 -10.3663 -8.10558 -7.56093 TIMING: 11000 CPU: 34.7672, 0.00314551/step Wall: 34.7672, 0.00314551/step, 4.35915 hours remaining, 221.425781 MB of memory in use. ENERGY: 11000 3938.6581 20574.6969 14433.3593 238.2424 -203864.7075 2984.8290 0.0000 0.0000 52106.6182 -109588.3034 299.4575 -161694.9217 -109215.7726 298.4771 77.1816 104.4757 762122.8607 -4.5301 -4.7013 PRESSURE: 11200 169.445 -11.9649 -101.317 -11.9649 186.726 -166.678 -101.316 -166.678 -227.592 GPRESSURE: 11200 193.953 55.5396 -80.4902 50.122 181.738 -160.057 -97.0766 -157.444 -162.562 PRESSAVG: 11200 -5.35835 41.7907 0.545153 41.7907 -11.3653 -45.6409 0.545134 -45.641 7.51234 GPRESSAVG: 11200 -5.16439 41.1474 -0.242243 43.1343 -11.6609 -44.0584 3.40239 -43.4407 7.45776 TIMING: 11200 CPU: 35.3945, 0.00313639/step Wall: 35.3945, 0.00313639/step, 4.34634 hours remaining, 221.425781 MB of memory in use. ENERGY: 11200 4072.8858 20553.3566 14370.1005 234.2029 -203852.8736 3082.2903 0.0000 0.0000 52120.9281 -109419.1094 299.5397 -161540.0375 -109056.9911 299.2603 42.8596 71.0429 761759.5817 -3.0705 -3.1225 PRESSURE: 11400 -557.996 28.701 -106.329 28.7021 -329.561 -146.849 -106.329 -146.85 359.43 GPRESSURE: 11400 -479.848 20.9907 -77.7094 15.1239 -267.549 -69.1674 -192.283 -102.644 320.515 PRESSAVG: 11400 -9.5675 21.3278 1.38071 21.3278 3.38903 20.2958 1.38073 20.2958 -17.9926 GPRESSAVG: 11400 -8.06553 21.829 1.53737 18.3685 2.22411 18.8601 -1.65515 19.711 -17.9699 TIMING: 11400 CPU: 36.0188, 0.0031216/step Wall: 36.0188, 0.0031216/step, 4.32567 hours remaining, 221.425781 MB of memory in use. ENERGY: 11400 4016.3737 20439.8212 14432.9526 223.8417 -203509.8955 2831.9034 0.0000 0.0000 52089.4637 -109475.5392 299.3589 -161565.0029 -109111.2271 299.1636 -176.0422 -142.2941 762407.4625 -8.0570 -7.9371 PRESSURE: 11600 0.660986 69.8974 112.707 69.8978 -142.168 -36.3088 112.707 -36.3088 -219.15 GPRESSURE: 11600 14.2015 161.389 163.591 29.8821 -108.923 -59.7015 86.5765 -124.35 -176.502 PRESSAVG: 11600 28.2928 -3.08017 -2.04916 -3.08013 -22.6359 -32.0359 -2.0492 -32.0359 21.5702 GPRESSAVG: 11600 28.3886 -2.97061 -3.6471 -2.88007 -22.1574 -30.8593 0.243041 -31.8911 20.8596 TIMING: 11600 CPU: 36.6474, 0.00314305/step Wall: 36.6474, 0.00314305/step, 4.35523 hours remaining, 221.425781 MB of memory in use. ENERGY: 11600 4003.2629 20766.2197 14409.1567 238.5151 -203464.8585 2803.3955 0.0000 0.0000 52095.2220 -109149.0867 299.3920 -161244.3086 -108797.2627 299.4425 -120.2190 -90.4078 762178.8582 9.0757 9.0303 PRESSURE: 11800 -186.354 66.6923 135.191 66.6926 -428.163 26.7396 135.191 26.7396 -80.0831 GPRESSURE: 11800 -177.926 113.558 156.723 109.712 -346.472 14.7207 129.628 100.413 -83.7288 PRESSAVG: 11800 21.3468 5.25111 20.6928 5.25111 -73.019 -81.1349 20.6928 -81.1348 -41.3654 GPRESSAVG: 11800 19.2618 2.78571 19.7462 6.72749 -72.5708 -82.5181 20.9632 -82.2378 -40.1311 TIMING: 11800 CPU: 37.2813, 0.00316927/step Wall: 37.2813, 0.00316927/step, 4.39137 hours remaining, 221.425781 MB of memory in use. ENERGY: 11800 4038.3278 20536.8411 14452.5199 249.3967 -203428.5584 2791.3240 0.0000 0.0000 52216.5931 -109143.5557 300.0895 -161360.1488 -108773.1974 299.2866 -231.5336 -202.7086 763751.4631 -31.0125 -31.1467 PRESSURE: 12000 -322.957 -180.101 145.872 -180.1 -443.109 -130.201 145.871 -130.201 -433.357 GPRESSURE: 12000 -248.839 -165.63 55.9767 -186.725 -455.71 -10.2637 169.556 -120.176 -416.347 PRESSAVG: 12000 11.4846 22.8941 -9.623 22.8942 -34.6815 -11.032 -9.62303 -11.032 12.8595 GPRESSAVG: 12000 11.3458 24.4207 -7.05949 20.694 -35.0005 -10.2743 -12.7086 -9.82801 12.8145 TIMING: 12000 CPU: 37.9173, 0.00317999/step Wall: 37.9173, 0.00317999/step, 4.40605 hours remaining, 221.425781 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: 12000 4044.7865 20556.0781 14451.8652 237.2387 -203287.6741 2707.4300 0.0000 0.0000 52196.8055 -109093.4701 299.9758 -161290.2756 -108724.5494 299.4813 -399.8076 -373.6323 764404.7666 -3.4458 -3.6134 PRESSURE: 12200 -170.214 274.318 72.8861 274.318 -126.263 -406.926 72.8857 -406.925 332.333 GPRESSURE: 12200 -35.911 215.616 58.2419 108.628 -153.307 -290.438 23.1553 -431.348 299.944 PRESSAVG: 12200 4.95953 -15.2217 7.75574 -15.2216 22.8691 -3.32814 7.75572 -3.32813 29.9984 GPRESSAVG: 12200 6.81183 -12.8466 6.70353 -14.4011 21.2192 -2.3239 10.007 -3.39829 29.2579 TIMING: 12200 CPU: 38.5523, 0.00317526/step Wall: 38.5523, 0.00317526/step, 4.39933 hours remaining, 221.425781 MB of memory in use. ENERGY: 12200 4018.7337 20505.4668 14395.7795 258.6473 -203283.9554 2773.4153 0.0000 0.0000 52108.1412 -109223.7716 299.4662 -161331.9128 -108855.1189 299.7905 11.9521 36.9087 762979.0967 19.2757 19.0963 LDB: ============= START OF LOAD BALANCING ============== 51.0885 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 51.0887 LDB: =============== DONE WITH MIGRATION ================ 51.0903 LDB: ============= START OF LOAD BALANCING ============== 51.4095 LDB: Largest compute 7028 load 0.031478 is 16.2% of average load 0.194344 LDB: Average compute 0.004365 is 2.2% of average load 0.194344 LDB: TIME 51.4129 LOAD: AVG 0.194344 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.441 MB LDB: TIME 51.4134 LOAD: AVG 0.194344 MAX 0.217051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.645 MB LDB: TIME 51.4135 LOAD: AVG 0.194344 MAX 0.216763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222.645 MB LDB: ============== END OF LOAD BALANCING =============== 51.4155 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.4202 PRESSURE: 12400 35.8946 -19.7574 166.978 -19.7582 -220.485 52.8735 166.977 52.8733 -369.765 GPRESSURE: 12400 -28.0435 31.6613 216.941 -46.7829 -139.014 48.8864 47.9741 15.6913 -283.343 PRESSAVG: 12400 14.2092 12.7084 -37.8212 12.7083 4.12964 -6.16937 -37.8212 -6.16946 -15.7349 GPRESSAVG: 12400 13.3449 12.4834 -36.2419 13.1447 3.46387 -7.46392 -41.7468 -7.95396 -14.0995 TIMING: 12400 CPU: 39.2033, 0.00325499/step Wall: 39.2033, 0.00325499/step, 4.50961 hours remaining, 222.109375 MB of memory in use. ENERGY: 12400 3998.7266 20663.4673 14404.7512 251.7716 -203321.1055 2688.6401 0.0000 0.0000 52137.3902 -109176.3585 299.6343 -161313.7487 -108816.5069 299.7419 -184.7850 -150.1337 763382.1441 0.8680 0.9031 PRESSURE: 12600 68.9341 128.062 -36.0515 128.062 -176.981 130.324 -36.0512 130.323 22.1776 GPRESSURE: 12600 96.2661 74.0375 -104.452 96.0683 -60.6556 117.999 35.255 144.531 -58.4801 PRESSAVG: 12600 -19.1452 21.3681 16.4374 21.3681 36.4634 -26.9451 16.4374 -26.9451 10.7825 GPRESSAVG: 12600 -19.2259 20.9073 14.8462 21.999 38.1192 -27.4572 20.0853 -23.8791 9.01298 TIMING: 12600 CPU: 39.8396, 0.00318142/step Wall: 39.8396, 0.00318142/step, 4.40751 hours remaining, 222.527344 MB of memory in use. ENERGY: 12600 3957.2479 20510.3649 14459.5912 235.5371 -203384.5531 3001.7224 0.0000 0.0000 52147.6334 -109072.4561 299.6932 -161220.0895 -108702.9070 299.2891 -28.6230 -7.6232 764596.9367 9.3669 9.3021 PRESSURE: 12800 -99.8441 19.3697 89.6103 19.37 58.8764 126.384 89.6095 126.383 -101.299 GPRESSURE: 12800 -50.446 -79.8677 47.3827 -27.5344 56.3134 120.121 115.389 88.3541 -65.0191 PRESSAVG: 12800 -0.056583 -22.0255 40.54 -22.0256 31.7937 9.12362 40.5399 9.12364 -11.9845 GPRESSAVG: 12800 0.496782 -21.9976 41.6053 -22.6396 31.1278 9.58954 38.1081 8.12751 -11.8342 TIMING: 12800 CPU: 40.4744, 0.00317392/step Wall: 40.4744, 0.00317392/step, 4.39694 hours remaining, 222.582031 MB of memory in use. ENERGY: 12800 4045.4653 20607.2403 14450.9453 241.4337 -203222.1779 2729.7469 0.0000 0.0000 52027.2307 -109120.1157 299.0012 -161147.3463 -108757.4737 300.0321 -47.4222 -19.7172 763549.1273 6.5842 6.5968 PRESSURE: 13000 -232.985 0.439601 -137.146 0.438719 368.163 -129.37 -137.146 -129.37 50.1992 GPRESSURE: 13000 -155.045 -145.25 -54.2104 -7.83941 320.295 -82.1297 -140.471 -275.97 116.572 PRESSAVG: 13000 -26.7401 4.23681 -11.05 4.23687 39.3173 39.2835 -11.05 39.2836 17.295 GPRESSAVG: 13000 -26.8282 1.6611 -9.53155 4.80269 38.215 39.4329 -8.37493 38.0881 18.453 TIMING: 13000 CPU: 41.1126, 0.00319124/step Wall: 41.1126, 0.00319124/step, 4.42075 hours remaining, 222.582031 MB of memory in use. ENERGY: 13000 4039.8750 20471.4379 14460.3249 267.9352 -203216.3708 2838.9969 0.0000 0.0000 51977.1566 -109160.6443 298.7134 -161137.8009 -108795.3723 299.6805 61.7924 93.9404 761734.6932 9.9574 9.9466 PRESSURE: 13200 -141.096 78.2513 -55.5703 78.2511 -73.4414 -6.68241 -55.5712 -6.68304 -67.0628 GPRESSURE: 13200 -114.514 151.749 -78.6495 214.043 -17.5662 9.20854 -159.32 25.8156 -73.3487 PRESSAVG: 13200 -26.6478 25.2089 -29.8363 25.2088 34.2308 -33.7058 -29.8364 -33.7058 -16.5066 GPRESSAVG: 13200 -25.3025 27.2506 -32.4322 25.5851 34.65 -34.0697 -29.442 -33.5873 -18.1323 TIMING: 13200 CPU: 41.7501, 0.0031874/step Wall: 41.7501, 0.0031874/step, 4.41526 hours remaining, 222.722656 MB of memory in use. ENERGY: 13200 4006.4807 20605.7075 14488.5028 231.6386 -202522.5496 2338.6918 0.0000 0.0000 51618.4522 -109233.0759 296.6520 -160851.5281 -108874.8047 299.4291 -93.8668 -68.4763 763452.9962 -2.9745 -2.9283 PRESSURE: 13400 -4.83375 4.65807 78.0541 4.65928 -48.4486 4.49265 78.0543 4.49341 143.285 GPRESSURE: 13400 53.7419 -40.3119 84.4114 157.8 6.72211 17.629 42.0608 63.6539 112.776 PRESSAVG: 13400 -21.3002 0.51532 -46.5967 0.515316 -9.38427 12.1069 -46.5967 12.1069 -11.2239 GPRESSAVG: 13400 -21.6653 0.742628 -45.8223 1.64202 -9.97126 12.3496 -46.1651 11.7294 -10.3988 TIMING: 13400 CPU: 42.3854, 0.0031762/step Wall: 42.3854, 0.0031762/step, 4.39957 hours remaining, 222.722656 MB of memory in use. ENERGY: 13400 3955.8789 20483.5035 14504.4184 252.0080 -202839.2851 2481.9594 0.0000 0.0000 51906.6761 -109254.8408 298.3084 -161161.5169 -108888.8418 299.1737 30.0009 57.7466 764562.4187 -13.9695 -14.0118 PRESSURE: 13600 -400.938 96.0211 -57.6532 96.0207 -77.8643 69.1078 -57.6531 69.1065 -190.373 GPRESSURE: 13600 -371.922 128.563 -71.4117 37.8462 -4.67566 -10.7597 -99.908 118.197 -196.964 PRESSAVG: 13600 14.5629 42.4235 -54.6624 42.4235 -28.9911 56.8626 -54.6624 56.8626 -11.6122 GPRESSAVG: 13600 13.4817 41.7579 -53.9739 40.0267 -27.3586 55.5364 -55.4655 58.1721 -12.0376 TIMING: 13600 CPU: 43.0226, 0.00318632/step Wall: 43.0226, 0.00318632/step, 4.4134 hours remaining, 222.722656 MB of memory in use. ENERGY: 13600 3996.7832 20552.3059 14480.6223 255.5323 -202728.5616 2339.9949 0.0000 0.0000 51949.4810 -109153.8420 298.5544 -161103.3230 -108792.8160 299.1645 -223.0585 -191.1872 763075.5805 -8.6801 -8.6382 PRESSURE: 13800 90.2525 6.81232 82.4165 6.81261 -87.2349 117.973 82.4164 117.972 191.903 GPRESSURE: 13800 127.519 -114.217 92.7033 77.6609 -0.850472 114.498 54.8004 36.5203 148.368 PRESSAVG: 13800 -18.8265 -3.22221 6.31577 -3.2222 -17.8786 58.4363 6.31576 58.4363 -12.1839 GPRESSAVG: 13800 -19.9585 -2.65874 7.95268 -1.80068 -17.7629 59.5966 4.99185 56.5992 -11.3566 TIMING: 13800 CPU: 43.6547, 0.00316051/step Wall: 43.6547, 0.00316051/step, 4.37748 hours remaining, 222.722656 MB of memory in use. ENERGY: 13800 3972.1086 20578.4210 14486.9288 232.6543 -203142.0308 2544.6888 0.0000 0.0000 52167.9194 -109159.3099 299.8097 -161327.2292 -108794.9155 299.5227 64.9735 91.6788 760893.7747 -16.2963 -16.3593 PRESSURE: 14000 -172.59 -79.2046 -47.3565 -79.2052 32.3457 -40.263 -47.3562 -40.2635 -192.459 GPRESSURE: 14000 -147.181 -81.9827 -135.531 -141.152 18.7391 -79.1265 -127.748 -10.1034 -123.101 PRESSAVG: 14000 3.39191 32.7373 -6.4662 32.7373 -1.75367 12.3219 -6.46618 12.322 -8.38436 GPRESSAVG: 14000 3.1045 32.3046 -8.75463 32.7859 -2.30775 11.2987 -6.42067 13.7325 -7.67891 TIMING: 14000 CPU: 44.2856, 0.00315447/step Wall: 44.2856, 0.00315447/step, 4.36895 hours remaining, 222.722656 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: 14000 3927.8435 20554.3950 14338.5960 249.8128 -202836.6894 2374.6888 0.0000 0.0000 51877.8867 -109513.4665 298.1429 -161391.3532 -109148.1186 298.9976 -110.9008 -83.8476 763098.6392 -2.2487 -2.2941 PRESSURE: 14200 -163.833 -115.254 -209.196 -115.254 -128.074 -189.509 -209.195 -189.51 -24.7056 GPRESSURE: 14200 -65.8573 -75.3052 -160.02 -169.118 -154.683 -173.48 -219.953 -213.925 -8.92223 PRESSAVG: 14200 -56.8817 -6.75135 18.357 -6.75135 7.1193 15.5708 18.357 15.5708 4.06571 GPRESSAVG: 14200 -55.9241 -6.97137 20.1187 -5.70339 7.63092 17.2054 19.5956 15.1917 2.65411 TIMING: 14200 CPU: 44.9155, 0.00314923/step Wall: 44.9155, 0.00314923/step, 4.36151 hours remaining, 222.722656 MB of memory in use. ENERGY: 14200 4014.3407 20514.1163 14400.6718 231.3003 -203282.3250 2651.0113 0.0000 0.0000 51879.9386 -109590.9461 298.1547 -161470.8847 -109226.8745 298.5566 -105.5376 -76.4875 762126.8582 -15.2322 -15.2130 PRESSURE: 14400 5.51625 129.817 29.3478 129.817 -206.511 -5.3873 29.3482 -5.38817 -198.708 GPRESSURE: 14400 -41.4696 87.6074 7.42237 114.792 -145.417 67.4626 -20.9852 -24.2437 -135.323 PRESSAVG: 14400 -49.2617 25.7348 -13.3211 25.7348 34.4623 51.735 -13.3211 51.735 -21.8318 GPRESSAVG: 14400 -49.2674 25.1666 -13.3786 26.4845 34.6254 51.3699 -14.2162 51.0603 -21.7208 TIMING: 14400 CPU: 45.5457, 0.00315129/step Wall: 45.5457, 0.00315129/step, 4.36419 hours remaining, 222.722656 MB of memory in use. ENERGY: 14400 4046.8956 20464.0393 14407.7139 239.6798 -203207.0539 2528.3932 0.0000 0.0000 51969.7122 -109550.6201 298.6707 -161520.3323 -109195.8646 298.7568 -133.2342 -107.4031 762270.4479 -12.2104 -12.1209 PRESSURE: 14600 93.4132 17.8455 19.817 17.8462 134.427 189.508 19.817 189.507 -119.268 GPRESSURE: 14600 154.241 -38.6672 43.0437 99.3569 141.461 231.849 -21.1338 142.187 -106.051 PRESSAVG: 14600 -6.11282 -8.45534 -20.5311 -8.45536 23.5365 7.91779 -20.531 7.91775 -10.9855 GPRESSAVG: 14600 -5.23034 -9.10813 -21.0028 -10.3377 22.086 9.1334 -19.8792 8.15289 -11.063 TIMING: 14600 CPU: 46.179, 0.00316653/step Wall: 46.179, 0.00316653/step, 4.38511 hours remaining, 222.722656 MB of memory in use. ENERGY: 14600 3984.5366 20674.5149 14480.1215 234.4528 -203340.3969 2766.5354 0.0000 0.0000 51778.6055 -109421.6303 297.5724 -161200.2358 -109070.7963 298.5722 36.1906 63.2172 761571.9750 2.1461 1.9309 PRESSURE: 14800 166.266 148.118 282.835 148.118 -191.684 -210.857 282.834 -210.856 -277.451 GPRESSURE: 14800 112.469 216.64 204.644 192.185 -60.732 -276.987 180.698 -226.962 -266.939 PRESSAVG: 14800 7.27375 80.2271 -40.2742 80.227 -37.2498 -35.2411 -40.2743 -35.2411 -7.94857 GPRESSAVG: 14800 5.87073 81.9424 -42.2856 81.6284 -36.6043 -37.2242 -40.0931 -35.1851 -7.40371 TIMING: 14800 CPU: 46.8107, 0.00315827/step Wall: 46.8107, 0.00315827/step, 4.3735 hours remaining, 222.722656 MB of memory in use. ENERGY: 14800 4089.9754 20429.0223 14336.5333 254.3030 -202884.5206 2271.2775 0.0000 0.0000 51970.8663 -109532.5428 298.6773 -161503.4091 -109171.6431 298.5107 -100.9563 -71.7343 763476.3587 -12.6415 -12.7124 PRESSURE: 15000 9.83624 -18.4314 -131.715 -18.4316 170.595 65.5368 -131.715 65.5374 43.4517 GPRESSURE: 15000 95.0021 45.8873 -109.094 -19.2017 136.964 101.327 -7.55334 37.8966 64.3867 PRESSAVG: 15000 -23.854 -25.6436 -27.0622 -25.6437 14.3991 -14.5974 -27.0622 -14.5974 25.8145 GPRESSAVG: 15000 -23.8825 -24.7729 -26.7548 -26.7619 15.9908 -13.4134 -26.8574 -16.8059 24.8575 TIMING: 15000 CPU: 47.4421, 0.00315732/step Wall: 47.4421, 0.00315732/step, 4.37201 hours remaining, 222.722656 MB of memory in use. ENERGY: 15000 3993.8203 20370.7275 14349.1845 236.9337 -202972.2982 2603.9940 0.0000 0.0000 52136.3026 -109281.3354 299.6280 -161417.6380 -108911.7091 298.9165 74.6277 98.7841 762712.8256 5.4532 5.6553 PRESSURE: 15200 137.661 -75.6827 102.023 -75.6829 78.5633 38.656 102.023 38.6563 -28.2814 GPRESSURE: 15200 123.836 -185.681 24.7547 -96.255 186.865 41.6713 13.7168 72.6097 -46.8287 PRESSAVG: 15200 -70.4563 8.40986 -25.8486 8.40985 33.9069 -3.52819 -25.8486 -3.52828 11.6326 GPRESSAVG: 15200 -69.6615 7.40231 -25.3639 9.11575 31.8442 -4.79142 -26.8443 0.0189027 13.2762 TIMING: 15200 CPU: 48.0743, 0.00316067/step Wall: 48.0743, 0.00316067/step, 4.37647 hours remaining, 222.722656 MB of memory in use. ENERGY: 15200 3995.3110 20498.3945 14431.3127 272.9728 -203246.0858 2743.2995 0.0000 0.0000 52083.2993 -109221.4961 299.3234 -161304.7953 -108854.8853 299.4061 62.6476 87.9575 764090.0227 -8.3056 -8.1804 PRESSURE: 15400 54.6209 -316.073 222.226 -316.073 -215.578 -112.937 222.227 -112.937 446.085 GPRESSURE: 15400 190.422 -149.941 135.123 -259.363 -214.349 -39.2871 180.371 -187.869 410.937 PRESSAVG: 15400 -49.3073 -15.7665 -6.00814 -15.7664 26.9773 -35.6265 -6.00811 -35.6265 -0.121593 GPRESSAVG: 15400 -50.2445 -16.0472 -6.52959 -14.5734 27.707 -33.7149 -6.46827 -37.567 -0.724698 TIMING: 15400 CPU: 48.7064, 0.00316067/step Wall: 48.7064, 0.00316067/step, 4.3763 hours remaining, 222.722656 MB of memory in use. ENERGY: 15400 3976.2667 20573.9323 14368.5262 247.7265 -203620.2439 2830.6132 0.0000 0.0000 52470.8914 -109152.2874 301.5509 -161623.1788 -108778.3388 299.3732 95.0428 129.0036 762795.2493 -7.4838 -7.7541 PRESSURE: 15600 -28.9796 -43.8282 53.8893 -43.8282 -149.737 -82.4903 53.8886 -82.4912 125.737 GPRESSURE: 15600 88.2651 -3.62927 55.0495 -112.048 -119.451 -182.968 -48.9001 -94.4917 53.5859 PRESSAVG: 15600 31.6555 -23.4677 -7.13244 -23.4678 -32.1338 32.4296 -7.13242 32.4296 13.8339 GPRESSAVG: 15600 32.1643 -23.7619 -6.5964 -26.1065 -32.0172 29.98 -7.73562 33.9094 13.4123 TIMING: 15600 CPU: 49.3388, 0.0031617/step Wall: 49.3388, 0.0031617/step, 4.37755 hours remaining, 222.722656 MB of memory in use. ENERGY: 15600 4031.2173 20476.8933 14390.4592 239.6219 -203804.5981 3235.3239 0.0000 0.0000 52370.1671 -109060.9154 300.9721 -161431.0825 -108688.9539 299.7295 -17.6600 7.4667 763917.6506 4.4519 4.5198 PRESSURE: 15800 102.134 30.4513 -168.836 30.4514 -51.456 218.988 -168.836 218.987 -227.502 GPRESSURE: 15800 118.896 -34.6222 -164.958 6.79697 31.1644 201.283 -162.336 94.2417 -248.673 PRESSAVG: 15800 41.6479 -24.6487 -29.3526 -24.6487 -50.7822 23.2021 -29.3525 23.2022 1.04771 GPRESSAVG: 15800 41.9081 -24.1449 -29.0431 -23.5866 -50.9718 24.3452 -29.5566 23.2294 1.11775 TIMING: 15800 CPU: 49.9647, 0.00312958/step Wall: 49.9647, 0.00312958/step, 4.3329 hours remaining, 222.722656 MB of memory in use. ENERGY: 15800 4066.0839 20694.8953 14426.0695 245.4466 -203613.8432 2848.1629 0.0000 0.0000 52132.0465 -109201.1385 299.6036 -161333.1850 -108838.1445 299.8960 -58.9414 -32.8710 763216.7971 -2.6955 -2.6486 PRESSURE: 16000 -147.187 150.641 -192.388 150.641 -114.205 -98.3697 -192.387 -98.3698 -214.985 GPRESSURE: 16000 -89.5717 130.728 -97.7721 216.216 -68.2897 -182.221 -86.4277 -154.73 -229.077 PRESSAVG: 16000 7.94691 54.8455 -2.29074 54.8455 31.2679 -47.0315 -2.2907 -47.0316 10.937 GPRESSAVG: 16000 7.58693 56.3772 -1.2946 54.9785 32.4656 -48.6094 -0.0031364 -46.261 10.3849 TIMING: 16000 CPU: 50.5942, 0.00314754/step Wall: 50.5942, 0.00314754/step, 4.35759 hours remaining, 222.722656 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: 16000 4028.1910 20540.0177 14419.3906 256.7936 -203306.3531 2748.0380 0.0000 0.0000 52342.2662 -108971.6559 300.8117 -161313.9221 -108605.9923 300.3302 -158.7922 -128.9796 763067.1277 16.7173 16.8125 PRESSURE: 16200 67.0348 167.154 67.9826 167.154 -59.6636 37.8385 67.9817 37.8379 358.249 GPRESSURE: 16200 90.3573 89.0687 121.214 45.1186 -29.9659 9.1206 -39.5755 80.3471 394.185 PRESSAVG: 16200 -23.9705 10.8506 -2.43279 10.8506 46.2988 -12.1401 -2.4328 -12.1401 -0.952052 GPRESSAVG: 16200 -24.2523 9.00357 -4.06126 12.4056 44.8332 -9.84482 -2.16783 -11.5446 0.858583 TIMING: 16200 CPU: 51.227, 0.00316393/step Wall: 51.227, 0.00316394/step, 4.38012 hours remaining, 222.722656 MB of memory in use. ENERGY: 16200 4054.9090 20605.0647 14465.2263 229.3799 -203274.5828 2679.4300 0.0000 0.0000 52081.9767 -109158.5962 299.3158 -161240.5729 -108784.4745 299.6857 121.8735 151.5256 762829.7089 7.1254 7.1465 LDB: ============= START OF LOAD BALANCING ============== 63.761 LDB: ============== END OF LOAD BALANCING =============== 63.7612 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.7628 LDB: ============= START OF LOAD BALANCING ============== 64.0786 LDB: Largest compute 7028 load 0.030679 is 15.8% of average load 0.194517 LDB: Average compute 0.004371 is 2.2% of average load 0.194517 LDB: TIME 64.0819 LOAD: AVG 0.194517 MAX 0.21056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.352 MB LDB: TIME 64.0823 LOAD: AVG 0.194517 MAX 0.21056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.422 MB LDB: TIME 64.0824 LOAD: AVG 0.194517 MAX 0.21056 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.422 MB LDB: ============== END OF LOAD BALANCING =============== 64.0844 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 64.0891 PRESSURE: 16400 -496.771 99.9593 263.998 99.9597 -512.776 170.246 263.997 170.247 -115.24 GPRESSURE: 16400 -400.504 135.594 289.897 161.45 -488.281 94.5062 90.4489 221.521 -147.795 PRESSAVG: 16400 -13.4914 57.1642 41.5781 57.1643 -11.1454 12.439 41.5781 12.439 -3.37991 GPRESSAVG: 16400 -12.7651 57.0484 42.6918 56.6294 -10.1317 11.6883 38.0632 11.9931 -5.46224 TIMING: 16400 CPU: 51.8722, 0.00322612/step Wall: 51.8722, 0.00322612/step, 4.46603 hours remaining, 222.566406 MB of memory in use. ENERGY: 16400 4046.7709 20549.9483 14396.3538 275.3248 -203200.7398 2663.8550 0.0000 0.0000 52175.5848 -109092.9022 299.8538 -161268.4870 -108727.7325 299.2990 -374.9291 -345.5270 763337.5571 -9.3389 -9.4530 PRESSURE: 16600 61.9105 -87.1289 183.635 -87.1291 91.8941 18.7229 183.635 18.7231 62.9839 GPRESSURE: 16600 109.342 -1.22035 71.715 -47.9769 101.483 84.411 120.613 2.7352 94.6715 PRESSAVG: 16600 6.07183 56.7973 6.46865 56.7973 -18.4834 -11.7757 6.46865 -11.7758 -21.881 GPRESSAVG: 16600 6.04756 57.7977 6.47582 56.9197 -18.9272 -11.7851 7.02035 -11.6718 -20.9695 TIMING: 16600 CPU: 52.5054, 0.00316624/step Wall: 52.5054, 0.00316624/step, 4.38295 hours remaining, 223.042969 MB of memory in use. ENERGY: 16600 3994.5861 20693.2787 14402.9201 252.7523 -203198.2877 2712.0643 0.0000 0.0000 52160.4898 -108982.1964 299.7671 -161142.6861 -108622.7460 299.7915 72.2629 101.8322 763008.5324 -11.4308 -11.2830 PRESSURE: 16800 295.706 33.1665 68.755 33.1662 -66.7247 100.509 68.7557 100.508 -131.646 GPRESSURE: 16800 284.283 11.2793 100.882 -23.0875 -22.4174 69.5329 162.494 28.3024 -93.7345 PRESSAVG: 16800 11.1713 8.2296 -13.306 8.22959 -2.96939 -19.8084 -13.306 -19.8084 7.08272 GPRESSAVG: 16800 10.7135 9.51848 -14.0646 7.51388 -2.80304 -20.2597 -11.4497 -19.6945 7.34295 TIMING: 16800 CPU: 53.1365, 0.00315508/step Wall: 53.1365, 0.00315508/step, 4.36733 hours remaining, 223.097656 MB of memory in use. ENERGY: 16800 4026.0054 20443.0844 14362.2842 247.7395 -203464.8674 3048.5526 0.0000 0.0000 52153.8381 -109183.3632 299.7288 -161337.2013 -108813.8253 299.8090 32.4452 56.0438 761917.5474 5.0949 5.0845 PRESSURE: 17000 -285.333 -236.237 -212.887 -236.239 -163.581 -148.056 -212.888 -148.057 -306.988 GPRESSURE: 17000 -280.303 -159.42 -124.208 -134.784 -108.331 -49.4847 -150.154 -210.395 -277.642 PRESSAVG: 17000 -16.577 32.4778 11.2982 32.4777 59.0156 18.3467 11.2981 18.3467 10.5117 GPRESSAVG: 17000 -16.8316 31.9983 12.2119 32.246 59.0973 19.4783 10.595 17.2773 10.7437 TIMING: 17000 CPU: 53.7649, 0.00314227/step Wall: 53.7649, 0.00314227/step, 4.34943 hours remaining, 223.097656 MB of memory in use. ENERGY: 17000 3961.5100 20585.7288 14377.7256 254.5520 -202964.2243 2591.6047 0.0000 0.0000 52092.9053 -109100.1978 299.3786 -161193.1032 -108742.6451 299.6872 -251.9673 -222.0920 762994.7020 17.6501 17.6698 PRESSURE: 17200 107.865 -80.9933 -44.9885 -80.9926 -41.0987 176.085 -44.9879 176.084 376.645 GPRESSURE: 17200 185.875 -131.55 -56.2717 -60.8302 63.751 125.725 30.3379 141.344 300.503 PRESSAVG: 17200 -65.8415 33.7437 -0.0724234 33.7437 41.5624 -25.5255 -0.0723427 -25.5255 -37.5334 GPRESSAVG: 17200 -65.4751 34.5132 -2.29753 35.8875 42.194 -25.0314 1.08001 -26.4395 -37.9624 TIMING: 17200 CPU: 54.3982, 0.00316648/step Wall: 54.3982, 0.00316648/step, 4.38276 hours remaining, 223.097656 MB of memory in use. ENERGY: 17200 3950.0174 20407.7433 14409.0556 263.5013 -203033.9936 2666.7105 0.0000 0.0000 52097.7072 -109239.2583 299.4062 -161336.9656 -108874.9470 299.6260 147.8041 183.3764 761416.1043 -20.6042 -20.4145 PRESSURE: 17400 -162.746 140.642 181.508 140.643 359.662 -27.0819 181.508 -27.0821 65.4789 GPRESSURE: 17400 -130.361 34.0883 247.009 -70.6772 345.131 -156.838 233.857 -16.3001 156.095 PRESSAVG: 17400 -24.333 -26.6988 27.5337 -26.6988 50.1052 23.7746 27.5338 23.7746 24.7903 GPRESSAVG: 17400 -23.4588 -27.311 28.8545 -29.161 49.9563 20.4162 28.3453 24.9309 24.2934 TIMING: 17400 CPU: 55.0277, 0.00314725/step Wall: 55.0277, 0.00314725/step, 4.35597 hours remaining, 223.097656 MB of memory in use. ENERGY: 17400 4039.7006 20608.9880 14415.4776 244.7004 -203856.7517 3195.7470 0.0000 0.0000 52161.1394 -109190.9988 299.7708 -161352.1382 -108843.1891 299.4246 87.4649 123.6217 761327.6265 16.8542 16.9303 PRESSURE: 17600 29.8875 -97.5198 43.9676 -97.5196 75.9692 -157.06 43.9684 -157.06 312.407 GPRESSURE: 17600 57.2128 -121.945 103.76 -60.0449 95.9781 -46.1056 -2.1852 -141.734 344.907 PRESSAVG: 17600 -9.42327 96.5199 28.8772 96.5199 16.1405 -18.6155 28.8772 -18.6155 8.45265 GPRESSAVG: 17600 -9.982 95.9076 28.6337 97.1875 15.5796 -17.3923 28.7411 -17.0318 9.46445 TIMING: 17600 CPU: 55.6575, 0.00314914/step Wall: 55.6575, 0.00314914/step, 4.35841 hours remaining, 223.097656 MB of memory in use. ENERGY: 17600 3940.4668 20472.6916 14420.2834 266.8816 -203429.8193 2831.2003 0.0000 0.0000 52217.5274 -109280.7683 300.0948 -161498.2957 -108913.0904 299.3677 139.4214 166.0326 761335.2987 5.0566 5.0207 PRESSURE: 17800 -114.98 -0.407191 141.843 -0.40843 368.213 -36.7008 141.844 -36.7005 -167.948 GPRESSURE: 17800 -50.5055 -31.7615 106.348 90.947 323.35 -2.47702 145.257 -21.1866 -96.5315 PRESSAVG: 17800 -2.88674 37.3807 -30.8071 37.3807 41.6815 -37.4828 -30.8071 -37.4829 3.38055 GPRESSAVG: 17800 -2.3809 38.7979 -30.8983 37.9529 41.8329 -37.3921 -30.5023 -39.8692 2.98979 TIMING: 17800 CPU: 56.2854, 0.0031398/step Wall: 56.2854, 0.0031398/step, 4.34532 hours remaining, 223.152344 MB of memory in use. ENERGY: 17800 3959.2354 20498.9102 14483.5764 255.4049 -202994.2003 2742.5688 0.0000 0.0000 51956.1099 -109098.3947 298.5925 -161054.5046 -108734.3641 299.4453 28.4283 58.7710 762506.2902 14.0584 14.1473 PRESSURE: 18000 78.0302 -15.3884 -239.638 -15.3879 -77.8728 152.762 -239.638 152.762 42.4455 GPRESSURE: 18000 116.289 47.3397 -153.027 54.5177 -51.4832 154.677 -113.165 105.403 44.3585 PRESSAVG: 18000 14.1536 21.7874 15.1307 21.7875 8.44416 -34.4201 15.1307 -34.4201 2.60587 GPRESSAVG: 18000 14.8391 21.8002 16.7045 21.9754 8.66045 -34.3274 14.0132 -33.1851 2.38018 TIMING: 18000 CPU: 56.9115, 0.00313008/step Wall: 56.9115, 0.00313008/step, 4.33168 hours remaining, 223.152344 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: 18000 3962.9539 20599.5653 14445.0435 251.1773 -203035.1871 2687.1679 0.0000 0.0000 51884.6079 -109204.6713 298.1816 -161089.2792 -108848.9097 299.0994 14.2010 36.3881 763073.7289 8.4012 8.6266 PRESSURE: 18200 -248.829 -102.066 -102.559 -102.066 -47.7837 -296.227 -102.558 -296.228 54.4987 GPRESSURE: 18200 -189.356 -57.8542 -37.6824 -61.8434 -61.4397 -271.813 -41.8192 -393.112 63.8758 PRESSAVG: 18200 -20.1451 -3.57114 -15.5301 -3.57113 -0.0341859 -24.864 -15.5301 -24.864 5.09013 GPRESSAVG: 18200 -19.285 -2.95547 -17.104 -3.18895 -1.40228 -23.546 -14.644 -26.0046 5.3579 TIMING: 18200 CPU: 57.5426, 0.00315561/step Wall: 57.5426, 0.00315561/step, 4.36683 hours remaining, 223.152344 MB of memory in use. ENERGY: 18200 4072.2364 20437.3596 14438.0179 236.3526 -203359.0196 2907.4590 0.0000 0.0000 52124.6178 -109142.9762 299.5609 -161267.5941 -108781.1633 299.4239 -80.7047 -62.3066 763521.2418 -5.0297 -5.1098 PRESSURE: 18400 -277.322 -25.492 -141.829 -25.4925 -139.831 -40.4175 -141.829 -40.4175 112.833 GPRESSURE: 18400 -227.524 -44.0944 -129.369 -90.6675 -95.6727 67.0494 -80.9062 38.853 93.8075 PRESSAVG: 18400 -8.67351 2.11274 -39.1107 2.11276 10.6462 -62.4821 -39.1107 -62.4821 -17.3262 GPRESSAVG: 18400 -9.60375 -0.434845 -39.0714 2.48993 11.4802 -63.2178 -39.9069 -61.9452 -16.6371 TIMING: 18400 CPU: 58.1729, 0.00315137/step Wall: 58.1729, 0.00315137/step, 4.3608 hours remaining, 223.152344 MB of memory in use. ENERGY: 18400 3944.3104 20546.4336 14349.4812 247.8853 -202946.5500 2555.8951 0.0000 0.0000 52003.9793 -109298.5652 298.8676 -161302.5445 -108937.0262 299.5241 -101.4400 -76.4629 765346.8882 -5.1179 -4.9202 PRESSURE: 18600 -55.0368 6.67327 62.0734 6.67262 -194.436 15.1739 62.0732 15.1745 67.9574 GPRESSURE: 18600 -36.1454 39.4281 25.1624 77.4718 -76.1863 -109.659 151.551 5.43636 7.75658 PRESSAVG: 18600 9.74163 11.5128 41.1024 11.5128 19.0092 -24.2288 41.1025 -24.2288 3.44147 GPRESSAVG: 18600 9.60823 12.8357 40.6624 8.85008 20.213 -26.1937 39.836 -21.6482 2.53887 TIMING: 18600 CPU: 58.8021, 0.00314635/step Wall: 58.8021, 0.00314635/step, 4.35368 hours remaining, 223.152344 MB of memory in use. ENERGY: 18600 3991.2768 20629.6937 14420.3557 240.4720 -202720.0434 2496.4527 0.0000 0.0000 51856.0950 -109085.6975 298.0177 -160941.7925 -108727.2358 299.3667 -60.5052 -34.8583 764356.2047 10.7308 10.7867 PRESSURE: 18800 -576.986 92.5403 -115.654 92.5407 -351.234 -59.8681 -115.653 -59.8675 -203.057 GPRESSURE: 18800 -580.444 12.0522 -97.5348 -5.21585 -299.738 5.97468 -75.3769 -167.991 -145.633 PRESSAVG: 18800 -13.484 27.1658 45.9974 27.1658 -14.8166 -44.025 45.9975 -44.0249 -15.6547 GPRESSAVG: 18800 -13.4292 27.4929 46.8704 29.2889 -16.1542 -42.5422 49.2528 -45.7269 -14.2395 TIMING: 18800 CPU: 59.428, 0.0031293/step Wall: 59.428, 0.0031293/step, 4.32991 hours remaining, 223.152344 MB of memory in use. ENERGY: 18800 4080.7687 20558.5878 14365.2071 248.7858 -202671.8349 2418.1824 0.0000 0.0000 52337.7590 -108662.5442 300.7858 -161000.3032 -108301.0163 300.2790 -377.0920 -341.9386 765394.9057 -14.6518 -14.6076 PRESSURE: 19000 -255.764 90.6032 195.21 90.6031 -251.032 114.42 195.21 114.421 168.865 GPRESSURE: 19000 -307.33 85.0888 262.692 113.619 -98.5135 85.525 196.337 176.481 162.969 PRESSAVG: 19000 27.0469 2.83659 -6.06152 2.83659 -15.1766 -35.0556 -6.06152 -35.0557 6.91504 GPRESSAVG: 19000 26.8404 4.55079 -5.46525 2.25709 -13.0489 -34.2398 -11.063 -34.1841 5.19935 TIMING: 19000 CPU: 60.0548, 0.00313409/step Wall: 60.0548, 0.00313409/step, 4.33636 hours remaining, 223.152344 MB of memory in use. ENERGY: 19000 4006.0692 20562.2371 14395.3818 239.9817 -203082.6240 2674.3047 0.0000 0.0000 52381.1586 -108823.4909 301.0352 -161204.6495 -108458.6823 300.1271 -112.6435 -80.9582 764199.5084 6.2618 6.3303 PRESSURE: 19200 -10.1246 228.953 -268.191 228.953 389.202 -53.3725 -268.191 -53.3727 -313.966 GPRESSURE: 19200 -22.8286 220.045 -236.012 195.805 405.721 -96.7468 -116.645 -131.622 -251.012 PRESSAVG: 19200 -19.3578 35.0777 -62.4459 35.0778 26.7227 -51.7411 -62.4459 -51.7412 13.4774 GPRESSAVG: 19200 -19.0476 32.9497 -64.4064 37.864 25.9797 -52.1779 -59.8517 -52.3255 13.8573 TIMING: 19200 CPU: 60.6801, 0.00312656/step Wall: 60.6801, 0.00312656/step, 4.32576 hours remaining, 223.152344 MB of memory in use. ENERGY: 19200 4057.3889 20639.2928 14418.3170 242.6939 -203455.2829 3076.8252 0.0000 0.0000 52225.3797 -108795.3856 300.1400 -161020.7653 -108428.9044 300.2932 21.7039 43.9602 763080.4394 6.9474 6.9298 PRESSURE: 19400 -28.4156 -56.7749 129.663 -56.7747 -105.922 -216.425 129.664 -216.424 322.156 GPRESSURE: 19400 122.621 -111.952 115.141 -64.4103 -161.753 -275.568 157.298 -176.267 314.929 PRESSAVG: 19400 -22.2578 5.35058 34.08 5.35058 21.3826 -12.9565 34.0801 -12.9566 -3.18071 GPRESSAVG: 19400 -22.7506 7.02912 36.9078 3.06933 21.5063 -12.9088 34.1608 -12.1213 -2.90191 TIMING: 19400 CPU: 61.3096, 0.00314738/step Wall: 61.3096, 0.00314738/step, 4.3544 hours remaining, 223.152344 MB of memory in use. ENERGY: 19400 3970.2291 20586.7978 14448.8829 257.3130 -202926.8282 2707.4498 0.0000 0.0000 51939.9433 -109016.2124 298.4996 -160956.1557 -108637.9959 300.1165 62.6060 91.9322 762595.9248 -1.3520 -1.3821 PRESSURE: 19600 -219.737 15.1125 -172.759 15.1129 61.7691 55.6825 -172.76 55.683 351.346 GPRESSURE: 19600 -84.2562 -78.9687 -95.5825 87.6665 24.7107 34.0719 -211.329 -22.2658 348.327 PRESSAVG: 19600 40.8583 38.8519 18.6802 38.8519 -47.0447 -23.7535 18.6802 -23.7534 16.9295 GPRESSAVG: 19600 41.0431 35.3656 16.2749 41.466 -47.7214 -23.4002 18.7547 -25.0982 16.7126 TIMING: 19600 CPU: 61.9428, 0.00316583/step Wall: 61.9428, 0.00316583/step, 4.37975 hours remaining, 223.152344 MB of memory in use. ENERGY: 19600 3994.1518 20579.4403 14436.9560 254.1017 -203277.2586 2858.4782 0.0000 0.0000 52145.8760 -109008.2546 299.6831 -161154.1306 -108648.6748 299.7909 64.4594 96.2603 762026.8366 3.5810 3.3448 PRESSURE: 19800 90.6824 109.387 240.035 109.387 -161.651 -242.44 240.035 -242.441 -48.8428 GPRESSURE: 19800 163.066 105.946 118.478 22.7904 -91.4711 -196.439 213.348 -240.73 -96.7851 PRESSAVG: 19800 5.34127 36.4634 8.0882 36.4634 38.2747 -75.1368 8.08818 -75.1368 17.6892 GPRESSAVG: 19800 5.48982 37.7804 7.86309 33.6258 38.6181 -76.1453 7.34694 -76.1163 17.196 TIMING: 19800 CPU: 62.5707, 0.00313994/step Wall: 62.5707, 0.00313995/step, 4.34377 hours remaining, 223.152344 MB of memory in use. ENERGY: 19800 3973.6612 20699.8353 14401.1657 278.8855 -203466.7343 2816.3146 0.0000 0.0000 52519.9146 -108776.9575 301.8327 -161296.8720 -108414.6325 300.4218 -39.9372 -8.3968 762383.3146 20.4350 20.4346 PRESSURE: 20000 274.196 -119.126 -30.3719 -119.126 382.36 -299.534 -30.3717 -299.533 119.914 GPRESSURE: 20000 179.983 -111.627 13.6627 -30.8844 451.779 -221.342 -22.0063 -177.213 215.723 PRESSAVG: 20000 36.149 -3.82743 29.7423 -3.82739 -11.521 -24.1048 29.7423 -24.1047 6.83745 GPRESSAVG: 20000 34.7984 -5.22483 29.6533 -1.14147 -10.8638 -22.6818 32.1192 -22.4676 6.79356 TIMING: 20000 CPU: 63.1964, 0.00312844/step Wall: 63.1964, 0.00312844/step, 4.32768 hours remaining, 223.152344 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: 20000 4008.0172 20589.1978 14381.2288 260.8035 -203356.3234 2819.7860 0.0000 0.0000 52127.6662 -109169.6239 299.5784 -161297.2901 -108800.6539 299.9932 258.8237 282.4949 763132.2750 10.4885 10.2427 PRESSURE: 20200 112.497 61.7428 -232.909 61.7417 178.537 222.107 -232.91 222.106 127.671 GPRESSURE: 20200 219.744 -44.5172 -247.178 42.1207 101.659 253.93 -221.009 50.6394 193.343 PRESSAVG: 20200 25.8688 -2.64921 -34.6426 -2.64922 6.68851 -13.4685 -34.6425 -13.4685 3.46572 GPRESSAVG: 20200 25.993 -0.702701 -33.3528 -5.96364 6.88963 -15.1216 -33.7243 -14.0004 3.63883 TIMING: 20200 CPU: 63.821, 0.00312269/step Wall: 63.821, 0.00312269/step, 4.31955 hours remaining, 223.152344 MB of memory in use. ENERGY: 20200 4026.9759 20508.0003 14419.0575 260.2384 -203530.9880 2968.8884 0.0000 0.0000 52185.3889 -109162.4386 299.9101 -161347.8275 -108791.4029 299.4570 139.5686 171.5820 762945.2677 12.0077 12.1738 LDB: ============= START OF LOAD BALANCING ============== 76.3519 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 76.3521 LDB: =============== DONE WITH MIGRATION ================ 76.3538 LDB: ============= START OF LOAD BALANCING ============== 76.6669 LDB: Largest compute 7028 load 0.032011 is 16.5% of average load 0.194479 LDB: Average compute 0.004376 is 2.3% of average load 0.194479 LDB: TIME 76.6702 LOAD: AVG 0.194479 MAX 0.210757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.797 MB LDB: TIME 76.6706 LOAD: AVG 0.194479 MAX 0.210757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.797 MB LDB: TIME 76.6707 LOAD: AVG 0.194479 MAX 0.210757 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.797 MB LDB: ============== END OF LOAD BALANCING =============== 76.6726 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 76.6773 PRESSURE: 20400 84.2711 -206.114 44.2884 -206.113 83.6894 94.0873 44.2889 94.0871 32.8783 GPRESSURE: 20400 141.039 -185.527 72.7167 -90.3229 161.272 105.546 3.04419 154.381 -6.67219 PRESSAVG: 20400 17.7863 -33.1443 -46.6051 -33.1442 -60.6111 -43.1784 -46.6051 -43.1783 -28.425 GPRESSAVG: 20400 17.6651 -33.7916 -46.5363 -30.1293 -60.8932 -42.0455 -48.9444 -44.2558 -28.177 TIMING: 20400 CPU: 64.4607, 0.00319861/step Wall: 64.4607, 0.00319861/step, 4.42438 hours remaining, 222.867188 MB of memory in use. ENERGY: 20400 3994.1572 20630.2878 14516.9772 244.4292 -203446.8837 2793.8884 0.0000 0.0000 52142.2769 -109124.8671 299.6624 -161267.1439 -108767.4407 299.7973 66.9463 98.5462 764069.2142 -23.7499 -23.8017 PRESSURE: 20600 -216.243 -175.176 -170.961 -175.176 95.3422 44.3377 -170.962 44.3389 257.386 GPRESSURE: 20600 -38.8394 -252.985 -47.2109 -307.952 105.342 38.7301 -142.998 92.1144 156.225 PRESSAVG: 20600 -53.775 6.45544 8.12432 6.4554 51.0582 -37.8181 8.12429 -37.8181 2.00377 GPRESSAVG: 20600 -53.3483 7.43417 7.83144 5.15949 51.4901 -37.7114 8.00273 -35.3282 1.12663 TIMING: 20600 CPU: 65.0883, 0.00313794/step Wall: 65.0883, 0.00313794/step, 4.34029 hours remaining, 223.324219 MB of memory in use. ENERGY: 20600 4024.8803 20504.8596 14446.5607 262.6057 -203118.8096 2601.5055 0.0000 0.0000 51984.1973 -109294.2005 298.7539 -161278.3978 -108932.4738 299.1302 45.4951 74.2426 762564.0688 -0.2377 -0.2439 PRESSURE: 20800 279.19 90.1757 100.25 90.1763 -7.72519 66.4248 100.25 66.4253 119.605 GPRESSURE: 20800 203.406 55.7319 -18.5309 131.421 122.245 122.675 152.042 -64.7984 135.129 PRESSAVG: 20800 -34.0246 40.4897 -27.0309 40.4897 21.4936 -100.956 -27.0309 -100.956 -4.76008 GPRESSAVG: 20800 -32.9381 38.8768 -27.2393 40.2271 19.9959 -101.898 -27.2942 -105.336 -4.35157 TIMING: 20800 CPU: 65.7122, 0.00311973/step Wall: 65.7122, 0.00311972/step, 4.31493 hours remaining, 223.324219 MB of memory in use. ENERGY: 20800 3854.5566 20628.5343 14419.5221 264.9473 -203270.6842 2788.5180 0.0000 0.0000 51909.9632 -109404.6428 298.3273 -161314.6059 -109056.4659 299.1058 130.3567 153.5932 761515.4516 -5.7637 -5.7646 PRESSURE: 21000 370.484 -35.3567 -68.0258 -35.3566 -110.396 -53.3433 -68.0259 -53.3434 -32.7622 GPRESSURE: 21000 421.372 -78.5404 -110.809 -49.2124 -13.0045 -143.732 -64.6999 37.256 -99.0542 PRESSAVG: 21000 -40.5801 -4.30978 -1.72263 -4.30972 84.7781 -35.9417 -1.72269 -35.9417 10.6228 GPRESSAVG: 21000 -41.2318 -3.77688 -1.35477 -4.72728 84.9237 -35.2687 -1.12722 -33.4547 11.3337 TIMING: 21000 CPU: 66.3365, 0.00312155/step Wall: 66.3365, 0.00312155/step, 4.31728 hours remaining, 223.324219 MB of memory in use. ENERGY: 21000 4019.7913 20465.3002 14482.6708 252.3121 -203438.8754 3068.7389 0.0000 0.0000 51809.6686 -109340.3936 297.7509 -161150.0622 -108976.9414 299.2019 75.7753 103.1044 763706.0490 18.2736 18.3419 PRESSURE: 21200 128.495 -150.811 -29.6393 -150.81 -321.397 -85.5416 -29.6381 -85.5425 -246.522 GPRESSURE: 21200 246.088 -119.427 -65.5247 -214.817 -366.855 -169.706 67.593 -122.351 -233.453 PRESSAVG: 21200 -66.53 -25.6287 -4.84602 -25.6287 16.1767 -34.7431 -4.84611 -34.7431 -16.1612 GPRESSAVG: 21200 -65.8862 -22.857 -4.06713 -27.4997 16.3895 -35.6577 -5.07958 -35.7066 -17.1532 TIMING: 21200 CPU: 66.9652, 0.00314345/step Wall: 66.9652, 0.00314345/step, 4.34739 hours remaining, 223.679688 MB of memory in use. ENERGY: 21200 4022.2063 20503.8404 14389.8846 249.9107 -203347.1265 2544.0320 0.0000 0.0000 51957.3799 -109679.8728 298.5998 -161637.2526 -109315.4075 298.7657 -146.4750 -118.0734 763283.4117 -22.1715 -22.2166 PRESSURE: 21400 -176.642 92.2766 124.806 92.2777 82.4733 -92.1076 124.806 -92.1086 251.151 GPRESSURE: 21400 -98.8204 67.5951 34.1502 56.5896 107.601 -128.772 9.51088 -40.0249 221.57 PRESSAVG: 21400 3.7489 -26.6518 19.9021 -26.6517 25.3928 -26.1806 19.9021 -26.1804 1.10348 GPRESSAVG: 21400 4.44303 -29.5583 20.9344 -23.1571 25.8637 -25.8883 19.8251 -24.6934 -0.0705533 TIMING: 21400 CPU: 67.5929, 0.00313832/step Wall: 67.5929, 0.00313832/step, 4.34012 hours remaining, 223.937500 MB of memory in use. ENERGY: 21400 3960.2452 20474.8881 14518.2875 223.8646 -203429.7426 2784.8184 0.0000 0.0000 51870.6372 -109597.0015 298.1013 -161467.6387 -109229.1485 298.3990 52.3274 76.7836 759956.9837 10.0817 10.0787 PRESSURE: 21600 -412.63 35.5068 8.66823 35.5065 -248.341 -12.6595 8.66815 -12.659 -26.2953 GPRESSURE: 21600 -383.418 87.4479 -4.26566 83.9413 -234.918 12.2443 -27.6268 15.949 -7.34376 PRESSAVG: 21600 3.74471 26.8612 -13.5078 26.8612 -30.0021 -2.28159 -13.5078 -2.28164 -5.35489 GPRESSAVG: 21600 2.67614 28.1994 -15.4621 25.2974 -30.7829 -2.62442 -14.1339 -1.9816 -4.18075 TIMING: 21600 CPU: 68.22, 0.00313568/step Wall: 68.22, 0.00313568/step, 4.3363 hours remaining, 223.937500 MB of memory in use. ENERGY: 21600 3954.3604 20487.0590 14395.8656 240.4034 -203188.3613 2524.1438 0.0000 0.0000 51991.8544 -109594.6746 298.7979 -161586.5290 -109225.6534 299.0622 -229.0889 -208.5599 762943.4636 -10.5374 -10.7625 PRESSURE: 21800 -32.5647 -6.23163 -151.444 -6.23185 22.5908 -134.703 -151.445 -134.702 387.23 GPRESSURE: 21800 84.4815 12.7695 -224.701 -53.7893 32.0832 -159.917 -112.284 10.1443 365.95 PRESSAVG: 21800 -14.8184 51.3346 -12.8597 51.3346 -2.42838 36.6708 -12.8598 36.6707 -22.2211 GPRESSAVG: 21800 -14.0684 52.5833 -12.2731 51.3447 -2.7762 36.1634 -12.1159 36.8668 -22.4783 TIMING: 21800 CPU: 68.8459, 0.00312927/step Wall: 68.8459, 0.00312927/step, 4.32726 hours remaining, 223.937500 MB of memory in use. ENERGY: 21800 3981.1729 20313.2723 14398.0059 263.0547 -203776.2827 3173.6655 0.0000 0.0000 52128.6697 -109518.4417 299.5842 -161647.1114 -109140.9686 299.1873 125.7520 160.8383 760186.6239 -13.1560 -13.1076 PRESSURE: 22000 58.3773 -4.96141 -32.5527 -4.96072 -161.497 45.2821 -32.5536 45.2817 208.605 GPRESSURE: 22000 108.983 -73.9341 49.6247 33.4025 -150.441 -10.2633 77.6784 130.349 211.543 PRESSAVG: 22000 24.0513 33.2965 -16.0551 33.2964 -45.7387 -29.4613 -16.0552 -29.4613 -7.27234 GPRESSAVG: 22000 23.2704 30.9673 -14.8571 33.9086 -45.1491 -29.7641 -16.3982 -28.2818 -7.06377 TIMING: 22000 CPU: 69.4741, 0.00314103/step Wall: 69.4741, 0.00314103/step, 4.34335 hours remaining, 223.937500 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: 22000 4040.6268 20467.6671 14421.2617 247.6690 -203603.8600 2690.9356 0.0000 0.0000 52268.6898 -109467.0101 300.3889 -161735.6998 -109110.7773 299.2330 35.1615 56.6952 761419.6570 -9.6532 -9.6475 PRESSURE: 22200 -96.6541 309.212 49.6233 309.213 3.05008 103.101 49.6235 103.1 220.322 GPRESSURE: 22200 -117.003 315.431 66.467 201.21 103.5 81.3477 46.6519 50.7585 238.614 PRESSAVG: 22200 13.5809 -18.011 40.4646 -18.011 -43.4301 42.5615 40.4646 42.5615 -3.00591 GPRESSAVG: 22200 13.9795 -16.8001 40.7557 -18.8008 -44.1119 43.5363 39.3964 40.9036 -2.58268 TIMING: 22200 CPU: 70.0958, 0.00310877/step Wall: 70.0958, 0.00310877/step, 4.29857 hours remaining, 223.937500 MB of memory in use. ENERGY: 22200 3934.7870 20526.9185 14434.0002 263.4465 -203525.3069 2755.2989 0.0000 0.0000 52314.2339 -109296.6217 300.6506 -161610.8557 -108941.1009 299.2109 42.2393 75.0370 760207.9646 -10.9517 -10.9050 PRESSURE: 22400 221.51 81.1717 -162.68 81.1724 -56.3254 209.712 -162.681 209.711 -4.09946 GPRESSURE: 22400 298.277 -12.5472 -154.7 54.3617 -85.7869 189.344 -108.375 96.5782 14.6909 PRESSAVG: 22400 37.2596 18.7622 -58.2492 18.7621 -49.7669 18.02 -58.2492 18.0199 41.0208 GPRESSAVG: 22400 37.5897 17.6249 -58.2689 19.1471 -50.2875 19.0151 -58.5172 17.5079 40.8774 TIMING: 22400 CPU: 70.7213, 0.0031271/step Wall: 70.7213, 0.0031271/step, 4.32373 hours remaining, 223.937500 MB of memory in use. ENERGY: 22400 4041.5610 20626.8181 14493.2616 234.7477 -203324.9332 2715.4208 0.0000 0.0000 51945.8457 -109267.2784 298.5335 -161213.1241 -108900.0314 299.3321 53.6950 75.7269 761866.6948 9.5045 9.3932 PRESSURE: 22600 -221.958 10.943 -53.8605 10.9432 -12.7993 -172.892 -53.8596 -172.893 43.8633 GPRESSURE: 22600 -167.519 13.3547 -28.299 -10.096 -34.8231 -145.242 -44.8899 -118.699 103.78 PRESSAVG: 22600 -4.3331 22.2482 -28.1544 22.2481 15.628 -46.4715 -28.1544 -46.4716 -11.4324 GPRESSAVG: 22600 -4.9795 23.1312 -30.2918 22.4872 15.9118 -49.198 -25.6881 -45.2838 -10.5154 TIMING: 22600 CPU: 71.3502, 0.00314467/step Wall: 71.3502, 0.00314467/step, 4.34785 hours remaining, 223.937500 MB of memory in use. ENERGY: 22600 4009.2740 20571.5346 14482.7955 263.7255 -203191.6350 2473.8347 0.0000 0.0000 52173.4854 -109216.9853 299.8417 -161390.4707 -108853.8967 299.1001 -63.6314 -32.8542 761354.1901 -0.0458 0.1390 PRESSURE: 22800 -117.273 -94.91 105.6 -94.9093 131.18 -177.731 105.6 -177.731 -11.7915 GPRESSURE: 22800 -22.7797 -44.1083 52.0164 -144.384 145.662 -160.474 278.144 -190.53 -47.5284 PRESSAVG: 22800 17.9774 -27.1101 1.53755 -27.1102 18.6202 -9.46624 1.53759 -9.46624 -22.136 GPRESSAVG: 22800 19.2016 -27.7147 1.53886 -28.0475 18.5937 -8.53369 0.561237 -8.35927 -23.0812 TIMING: 22800 CPU: 71.9759, 0.00312847/step Wall: 71.9759, 0.00312847/step, 4.32528 hours remaining, 223.937500 MB of memory in use. ENERGY: 22800 4071.4272 20661.0220 14490.3009 244.0493 -203122.5938 2540.7591 0.0000 0.0000 52036.7771 -109078.2581 299.0561 -161115.0352 -108717.2600 299.4978 0.7051 25.1181 763401.3824 4.8205 4.9047 PRESSURE: 23000 104.018 -3.98698 41.339 -3.98764 -232.874 -306.476 41.3392 -306.476 -153.875 GPRESSURE: 23000 79.9932 -47.0709 47.6541 71.1298 -264.687 -321.301 67.083 -352.394 -26.2051 PRESSAVG: 23000 17.4435 7.90806 14.7658 7.90809 -5.86063 55.7082 14.7658 55.7081 -19.8267 GPRESSAVG: 23000 16.0306 8.61545 17.1607 9.58335 -5.44316 56.5663 13.7269 53.3133 -18.4027 TIMING: 23000 CPU: 72.5985, 0.00311314/step Wall: 72.5985, 0.00311314/step, 4.30391 hours remaining, 223.937500 MB of memory in use. ENERGY: 23000 4036.8228 20603.3778 14452.3235 229.5770 -203245.9222 2816.1344 0.0000 0.0000 52160.3108 -108947.3760 299.7660 -161107.6868 -108594.7774 299.6300 -94.2439 -70.2997 762129.0417 -2.7480 -2.6051 PRESSURE: 23200 -313.859 -23.5607 -127.401 -23.5599 416.837 -5.95381 -127.402 -5.95524 220.49 GPRESSURE: 23200 -301.84 -62.0906 -148.365 6.45901 365.533 -68.3 -120.148 -22.4549 341.705 PRESSAVG: 23200 9.21418 8.89398 -0.0415017 8.89393 9.61891 13.2217 -0.0414525 13.2217 3.35886 GPRESSAVG: 23200 9.4234 9.25722 -0.363519 9.14997 9.33436 11.1879 -1.20403 14.5915 3.14727 TIMING: 23200 CPU: 73.2239, 0.00312713/step Wall: 73.2239, 0.00312713/step, 4.32309 hours remaining, 223.937500 MB of memory in use. ENERGY: 23200 3917.1444 20592.8350 14424.9096 252.3655 -203526.7067 3009.2662 0.0000 0.0000 52398.9323 -108931.2538 301.1374 -161330.1861 -108563.5384 299.9516 107.8228 135.1327 761976.6310 7.3973 7.3017 PRESSURE: 23400 266.568 -53.2649 100.684 -53.2652 279.387 48.3812 100.684 48.3807 156.982 GPRESSURE: 23400 302.882 -112.194 12.2927 -31.9273 202.176 68.7376 62.7812 -25.3653 263.423 PRESSAVG: 23400 -24.0529 -36.3406 1.38104 -36.3407 33.7901 -2.50015 1.38107 -2.5001 14.9704 GPRESSAVG: 23400 -24.1443 -37.5977 -0.296022 -35.7107 33.144 0.07129 2.65608 -6.12491 15.5117 TIMING: 23400 CPU: 73.8498, 0.00312941/step Wall: 73.8498, 0.00312941/step, 4.32605 hours remaining, 223.937500 MB of memory in use. ENERGY: 23400 3963.5202 20574.6025 14375.4085 276.0975 -203303.0874 2965.1916 0.0000 0.0000 52251.7432 -108896.5239 300.2915 -161148.2671 -108540.5071 300.3473 234.3126 256.1602 761380.1393 8.2359 8.1705 PRESSURE: 23600 -313.24 -129.27 -243.077 -129.27 -298.014 -74.3655 -243.078 -74.3658 -44.6921 GPRESSURE: 23600 -105.094 -103.242 -232.255 -131.777 -340.912 -159.35 -300.443 -24.6221 -113.003 PRESSAVG: 23600 14.5775 -6.09154 1.20748 -6.09157 -26.6712 24.2466 1.20745 24.2466 14.1818 GPRESSAVG: 23600 16.7382 -5.77859 1.37338 -5.97764 -26.5833 23.7211 2.92392 26.4139 11.8551 TIMING: 23600 CPU: 74.4727, 0.00311427/step Wall: 74.4727, 0.00311427/step, 4.30496 hours remaining, 223.937500 MB of memory in use. ENERGY: 23600 3975.6907 20615.9963 14395.4405 252.8929 -202574.6145 2165.9381 0.0000 0.0000 52220.6530 -108948.0030 300.1128 -161168.6560 -108588.0841 300.0454 -218.6488 -186.3364 763915.5448 0.6960 0.6700 PRESSURE: 23800 24.7319 114.937 -28.3113 114.937 -445.243 -18.113 -28.3119 -18.1122 -295.045 GPRESSURE: 23800 70.3389 -11.0669 -76.137 154.248 -337.116 -36.5155 -77.6751 56.0177 -352.725 PRESSAVG: 23800 -7.21778 -39.0603 -7.43866 -39.0603 -34.3255 -6.86343 -7.43862 -6.86344 -13.5549 GPRESSAVG: 23800 -9.51894 -38.7951 -6.99836 -41.7046 -33.8176 -7.65252 -8.64554 -7.38724 -11.4876 TIMING: 23800 CPU: 75.0975, 0.00312401/step Wall: 75.0975, 0.00312401/step, 4.31825 hours remaining, 223.937500 MB of memory in use. ENERGY: 23800 4003.9251 20569.6400 14458.0860 250.0290 -203127.0615 2703.2097 0.0000 0.0000 52247.8160 -108894.3556 300.2689 -161142.1717 -108533.3910 299.7463 -238.5190 -206.5008 763205.1542 -18.3661 -18.2747 PRESSURE: 24000 -247.092 123.541 89.024 123.54 317.697 -53.5147 89.0236 -53.5139 -164.331 GPRESSURE: 24000 -84.1041 13.6552 142.264 238.886 249.991 -70.6369 18.1709 -26.0929 -172.295 PRESSAVG: 24000 -14.2907 -11.5142 -15.3544 -11.5142 30.1379 -85.0146 -15.3544 -85.0147 -10.1539 GPRESSAVG: 24000 -12.4618 -11.8381 -14.6013 -9.43052 29.8757 -81.7719 -15.1171 -85.6519 -11.5732 TIMING: 24000 CPU: 75.7241, 0.00313288/step Wall: 75.7241, 0.00313288/step, 4.33033 hours remaining, 223.937500 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: 24000 4031.3262 20595.5302 14375.6908 241.0391 -202962.7575 2848.2721 0.0000 0.0000 52073.2692 -108797.6300 299.2658 -160870.8991 -108446.0492 300.0918 -31.2422 -2.1361 761989.7848 1.8977 1.9469 PRESSURE: 24200 -21.7226 56.5825 17.2965 56.5823 -82.2587 -134.688 17.2964 -134.688 38.8682 GPRESSURE: 24200 30.7419 92.1741 87.8043 143.49 -2.94359 -150.102 -167.02 -232.519 -6.46619 PRESSAVG: 24200 62.0224 -5.34159 -28.9145 -5.34165 -17.7627 -7.26306 -28.9145 -7.26309 11.8182 GPRESSAVG: 24200 60.6651 -4.93438 -30.4023 -5.97116 -17.4592 -9.67043 -28.103 -6.47428 12.5833 TIMING: 24200 CPU: 76.3496, 0.0031276/step Wall: 76.3496, 0.0031276/step, 4.32287 hours remaining, 223.937500 MB of memory in use. ENERGY: 24200 4064.9289 20712.1157 14428.7288 248.1301 -203268.4495 2739.4114 0.0000 0.0000 52109.8617 -108965.2730 299.4761 -161075.1347 -108609.4763 300.1902 -21.7044 7.1107 762802.4057 18.6926 18.5964 LDB: ============= START OF LOAD BALANCING ============== 88.8817 LDB: ============== END OF LOAD BALANCING =============== 88.8819 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 88.8835 LDB: ============= START OF LOAD BALANCING ============== 89.1977 LDB: Largest compute 7070 load 0.031733 is 16.3% of average load 0.194475 LDB: Average compute 0.004366 is 2.2% of average load 0.194475 LDB: TIME 89.201 LOAD: AVG 0.194475 MAX 0.212395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.816 MB LDB: TIME 89.2014 LOAD: AVG 0.194475 MAX 0.212395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.816 MB LDB: TIME 89.2015 LOAD: AVG 0.194475 MAX 0.212395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.816 MB LDB: ============== END OF LOAD BALANCING =============== 89.2035 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 89.208 PRESSURE: 24400 -95.543 -217.115 -152.911 -217.115 -200.594 -119.358 -152.911 -119.358 -21.0851 GPRESSURE: 24400 -59.0259 -174.886 -265.663 -207.398 -221.061 -59.4669 -104.533 -73.7404 26.0823 PRESSAVG: 24400 21.531 18.4126 -26.463 18.4126 -65.1987 -4.00452 -26.4631 -4.00448 1.30877 GPRESSAVG: 24400 20.5784 17.3671 -25.6911 17.4016 -64.5329 -4.56742 -25.6356 -3.89024 1.55671 TIMING: 24400 CPU: 76.9912, 0.00320818/step Wall: 76.9912, 0.00320818/step, 4.43406 hours remaining, 221.460938 MB of memory in use. ENERGY: 24400 4009.1585 20708.5003 14401.2442 261.9721 -203396.2467 2727.9554 0.0000 0.0000 52311.1872 -108976.2289 300.6331 -161287.4161 -108613.1024 300.2478 -105.7408 -84.6682 763697.6038 -14.1196 -14.1326 PRESSURE: 24600 -19.0127 -54.6724 -153.767 -54.672 -345.336 63.4489 -153.767 63.4492 -21.45 GPRESSURE: 24600 63.731 -65.2082 -152.526 8.85329 -363.213 81.7225 -230.385 -80.1173 -16.2985 PRESSAVG: 24600 42.7811 0.666165 -9.28917 0.666162 -2.25517 -13.0118 -9.28922 -13.0119 31.6427 GPRESSAVG: 24600 43.2727 1.77122 -9.67717 1.13963 -2.93918 -11.8923 -11.7221 -13.7428 31.6748 TIMING: 24600 CPU: 77.6165, 0.00312652/step Wall: 77.6165, 0.00312652/step, 4.32103 hours remaining, 221.460938 MB of memory in use. ENERGY: 24600 4118.2428 20580.0237 14330.7058 253.8849 -203002.0005 2781.6388 0.0000 0.0000 51971.0985 -108966.4059 298.6786 -160937.5045 -108603.5739 299.9058 -128.5997 -105.2602 764081.6885 24.0562 24.0028 PRESSURE: 24800 -50.117 142.649 -38.2025 142.65 543.945 131.829 -38.2022 131.828 158.923 GPRESSURE: 24800 41.5326 122.101 88.002 192.502 524.181 124.596 -19.3064 69.5021 142.7 PRESSAVG: 24800 -33.9377 -11.45 19.9101 -11.45 21.093 -25.4723 19.9101 -25.4725 -12.4325 GPRESSAVG: 24800 -33.1799 -11.5007 20.4582 -12.0086 20.9329 -26.1658 21.041 -23.3255 -12.9705 TIMING: 24800 CPU: 78.2418, 0.00312652/step Wall: 78.2418, 0.00312652/step, 4.32085 hours remaining, 221.460938 MB of memory in use. ENERGY: 24800 3983.0497 20700.4777 14433.8156 237.9179 -202950.9838 2796.6891 0.0000 0.0000 51927.7432 -108871.2906 298.4295 -160799.0337 -108515.3923 299.6746 217.5838 236.1379 763261.5796 -8.4257 -8.4058 PRESSURE: 25000 184.723 -26.1199 -77.0969 -26.1196 128.033 -225.155 -77.0974 -225.153 109.381 GPRESSURE: 25000 184.648 -81.1816 -75.8862 25.8264 197.115 -233.836 31.9071 -186.158 119.002 PRESSAVG: 25000 71.0479 -3.71358 3.91506 -3.7135 -33.4212 36.9887 3.91511 36.9888 21.0298 GPRESSAVG: 25000 70.8598 -4.86464 3.1223 -2.55478 -33.0718 36.8649 3.69332 36.458 21.4079 TIMING: 25000 CPU: 78.8738, 0.00316008/step Wall: 78.8738, 0.00316008/step, 4.36706 hours remaining, 221.460938 MB of memory in use. ENERGY: 25000 3982.1662 20644.2013 14363.3789 235.8598 -203129.0062 2902.0861 0.0000 0.0000 52180.2570 -108821.0570 299.8807 -161001.3140 -108450.7984 299.9957 140.7123 166.9213 762750.7528 19.5522 19.7320 PRESSURE: 25200 -197.886 10.7526 -221.364 10.753 -162.255 -141.324 -221.365 -141.323 90.6406 GPRESSURE: 25200 -155.616 70.522 -166.044 39.3851 -94.6458 -228.704 -335.454 -153.258 57.0575 PRESSAVG: 25200 30.2939 -1.56244 -4.652 -1.56243 -33.4011 -19.7019 -4.65201 -19.7019 -0.329952 GPRESSAVG: 25200 30.1409 -0.671988 -4.00131 -0.567545 -33.6626 -18.5083 -5.08314 -20.2252 -0.429706 TIMING: 25200 CPU: 79.503, 0.00314597/step Wall: 79.503, 0.00314597/step, 4.34738 hours remaining, 221.527344 MB of memory in use. ENERGY: 25200 4024.0644 20420.5656 14433.8240 253.4027 -203135.8093 2759.5888 0.0000 0.0000 52217.6535 -109026.7103 300.0956 -161244.3637 -108667.5061 299.7469 -89.8336 -64.4013 762760.9992 -1.1457 -1.3171 PRESSURE: 25400 258.831 -302.167 131.703 -302.167 31.489 -17.9281 131.703 -17.9282 -71.1169 GPRESSURE: 25400 250.255 -154.539 200.326 -242.956 86.4294 -34.9912 139.109 134.395 -33.5652 PRESSAVG: 25400 -3.97916 8.96664 -14.3015 8.96669 -65.4413 -27.9804 -14.3016 -27.9802 17.5539 GPRESSAVG: 25400 -4.10675 9.83879 -18.5067 5.77464 -65.6757 -26.7536 -13.0093 -29.3131 18.0844 TIMING: 25400 CPU: 80.1281, 0.00312551/step Wall: 80.1281, 0.00312551/step, 4.31893 hours remaining, 221.527344 MB of memory in use. ENERGY: 25400 3952.3396 20654.9902 14408.7902 221.9513 -203107.8173 2763.1838 0.0000 0.0000 51937.3647 -109169.1976 298.4847 -161106.5623 -108803.0663 299.1593 73.0677 101.0398 762901.6393 -17.2888 -17.2327 PRESSURE: 25600 -71.6395 -79.0118 70.9184 -79.0128 -196.569 -69.7234 70.9187 -69.7237 186.701 GPRESSURE: 25600 -35.5766 -92.5296 4.07499 46.8572 -169.752 -232.178 111.101 -56.9704 221.849 PRESSAVG: 25600 16.1177 -19.0573 53.4069 -19.0573 -11.5194 -79.7118 53.4069 -79.7118 -0.386307 GPRESSAVG: 25600 16.5873 -22.163 56.3034 -13.6099 -11.6456 -80.2939 51.5818 -78.2823 -0.586309 TIMING: 25600 CPU: 80.7575, 0.00314693/step Wall: 80.7575, 0.00314693/step, 4.34836 hours remaining, 221.527344 MB of memory in use. ENERGY: 25600 4070.5686 20573.1790 14342.6322 243.2965 -202961.5987 2593.2816 0.0000 0.0000 51966.6700 -109171.9708 298.6532 -161138.6408 -108806.6922 299.5244 -27.1692 5.5066 763613.8974 1.4040 1.4518 PRESSURE: 25800 -142.403 -92.7371 -23.1018 -92.7368 331.341 48.768 -23.1019 48.7666 -95.8347 GPRESSURE: 25800 -48.1024 12.9411 -17.6378 -78.7152 288.583 23.9361 -20.9454 96.6465 -65.8716 PRESSAVG: 25800 -13.3476 7.97767 7.4389 7.9777 48.6634 -16.0367 7.4389 -16.0367 11.2905 GPRESSAVG: 25800 -12.8804 10.0154 6.67013 3.4221 48.3639 -16.3557 8.86751 -15.6914 11.1231 TIMING: 25800 CPU: 81.3893, 0.00315867/step Wall: 81.3893, 0.00315867/step, 4.36441 hours remaining, 221.527344 MB of memory in use. ENERGY: 25800 4020.3303 20707.4860 14423.5158 245.0122 -203985.8259 3293.6462 0.0000 0.0000 52283.3789 -109012.4565 300.4733 -161295.8354 -108644.1107 299.7119 31.0346 58.2030 761604.8288 15.5354 15.5355 PRESSURE: 26000 327.178 -262.729 -64.4342 -262.729 -205.809 329.131 -64.4334 329.13 398.462 GPRESSURE: 26000 248.168 -266.136 -10.2695 -204.649 -148.947 201.027 -4.84126 299.604 482.642 PRESSAVG: 26000 -4.14539 -1.35768 -10.2469 -1.35766 11.4783 16.5539 -10.2468 16.554 16.2329 GPRESSAVG: 26000 -5.46878 -1.42196 -8.94325 -0.352771 12.5982 16.2101 -11.5472 16.4146 16.6993 TIMING: 26000 CPU: 82.0212, 0.0031596/step Wall: 82.0212, 0.0031596/step, 4.36552 hours remaining, 221.527344 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: 26000 3893.0542 20675.4512 14436.2693 265.8527 -203461.9644 2786.9761 0.0000 0.0000 52367.4031 -109036.9580 300.9562 -161404.3610 -108660.9036 299.6990 173.2769 193.9545 762208.3764 7.8553 7.9429 PRESSURE: 26200 -380.644 -30.3837 -67.9557 -30.3851 266.084 17.7562 -67.9559 17.7549 38.363 GPRESSURE: 26200 -306.353 -34.1416 -77.9921 77.0143 271.399 20.5841 -28.6948 71.2301 47.4245 PRESSAVG: 26200 -12.8398 5.20607 -0.283593 5.20602 -5.30165 9.45751 -0.283638 9.45741 -12.4825 GPRESSAVG: 26200 -11.9151 5.79601 0.0995366 6.49083 -5.09477 8.53593 -0.0953364 10.2269 -13.7604 TIMING: 26200 CPU: 82.6534, 0.00316122/step Wall: 82.6534, 0.00316122/step, 4.36758 hours remaining, 221.527344 MB of memory in use. ENERGY: 26200 3943.0066 20543.6326 14405.0863 245.3720 -203297.0271 2765.3007 0.0000 0.0000 52300.2743 -109094.3546 300.5704 -161394.6289 -108724.2380 299.8486 -25.3992 4.1568 761917.1478 -10.2080 -10.2568 PRESSURE: 26400 -258.491 -66.3942 355.921 -66.3941 -197.134 -188.822 355.921 -188.821 -85.6204 GPRESSURE: 26400 -144.125 -10.6515 295.845 -202.142 -110.583 -141.476 284.551 -224.828 -207.7 PRESSAVG: 26400 29.522 -21.1258 53.7677 -21.1258 -42.8957 0.0793981 53.7677 0.0795183 -12.1392 GPRESSAVG: 26400 28.6426 -21.0826 55.0942 -23.2402 -43.4232 0.399594 52.6489 -0.775523 -10.9866 TIMING: 26400 CPU: 83.2868, 0.00316692/step Wall: 83.2868, 0.00316692/step, 4.37527 hours remaining, 221.527344 MB of memory in use. ENERGY: 26400 3982.3794 20618.0220 14327.9282 270.5808 -203242.3503 2803.3051 0.0000 0.0000 52375.0097 -108865.1250 300.9999 -161240.1347 -108496.5172 299.7496 -180.4149 -154.1360 762100.6035 -8.5043 -8.5891 PRESSURE: 26600 238.868 217.684 97.2012 217.684 -75.4071 3.07369 97.201 3.07395 -32.4691 GPRESSURE: 26600 185.633 201.321 125.102 207.335 47.8759 -58.1996 -22.6034 25.5716 -20.4209 PRESSAVG: 26600 -10.0583 40.1908 -13.9405 40.1908 36.8265 -1.82929 -13.9405 -1.8292 -1.63087 GPRESSAVG: 26600 -9.10351 39.2472 -15.3655 40.6937 36.9177 -1.3894 -13.7586 -1.10816 -2.87798 TIMING: 26600 CPU: 83.9168, 0.00315021/step Wall: 83.9168, 0.00315021/step, 4.35201 hours remaining, 221.527344 MB of memory in use. ENERGY: 26600 4002.2682 20886.0595 14331.1327 251.8689 -203088.0327 2699.7303 0.0000 0.0000 52107.5457 -108809.4273 299.4628 -160916.9731 -108439.1348 300.2775 43.6638 71.0294 763218.2877 8.3791 8.3121 PRESSURE: 26800 30.1581 -141.647 -140.803 -141.647 456.533 11.909 -140.804 11.9092 304.248 GPRESSURE: 26800 89.0896 -8.45911 -144.319 -81.0754 424.917 74.6309 -70.2952 -79.4985 348.024 PRESSAVG: 26800 19.1356 -0.668804 -30.2321 -0.66876 -20.6463 -42.3234 -30.232 -42.3234 16.8072 GPRESSAVG: 26800 19.1675 -0.186984 -29.95 0.529296 -21.9412 -41.1111 -29.5186 -43.6218 17.8035 TIMING: 26800 CPU: 84.5468, 0.00314994/step Wall: 84.5468, 0.00314994/step, 4.35146 hours remaining, 221.527344 MB of memory in use. ENERGY: 26800 3990.2780 20637.0004 14387.2319 241.7587 -203305.1270 3129.8624 0.0000 0.0000 52295.6447 -108623.3508 300.5438 -160918.9955 -108261.5179 300.5592 263.6466 287.3436 762564.0378 5.0989 5.0099 PRESSURE: 27000 -306.978 62.0743 -15.3696 62.0745 48.3275 -299.511 -15.3692 -299.511 -271.764 GPRESSURE: 27000 -282.604 72.2813 22.4151 128.651 110.068 -247.581 -40.18 -266.256 -267.795 PRESSAVG: 27000 -22.1375 40.7646 -29.8072 40.7646 59.8909 -13.8657 -29.8072 -13.8658 6.06651 GPRESSAVG: 27000 -22.4319 42.8852 -30.058 39.3405 60.8877 -14.482 -28.9917 -13.3213 5.74155 TIMING: 27000 CPU: 85.174, 0.00313563/step Wall: 85.174, 0.00313563/step, 4.33152 hours remaining, 221.527344 MB of memory in use. ENERGY: 27000 3995.7963 20685.4512 14395.0980 252.3618 -203138.7739 2756.9908 0.0000 0.0000 52397.5615 -108655.5144 301.1295 -161053.0759 -108299.1510 301.0775 -176.8049 -146.7771 763108.0201 14.6066 14.7324 PRESSURE: 27200 -22.3713 177.218 -108.765 177.219 93.0288 -203.928 -108.766 -203.927 -59.2428 GPRESSURE: 27200 60.4285 210.626 -128.506 162.351 74.9846 -249.193 -133.85 -174.171 -56.0697 PRESSAVG: 27200 36.0317 18.8381 -12.2243 18.8381 -11.7045 -0.851038 -12.2242 -0.851005 0.917165 GPRESSAVG: 27200 35.9866 16.6329 -10.8077 19.6717 -12.2491 -1.88331 -15.439 -0.206876 1.14774 TIMING: 27200 CPU: 85.8047, 0.00315376/step Wall: 85.8047, 0.00315376/step, 4.35639 hours remaining, 221.527344 MB of memory in use. ENERGY: 27200 3965.3491 20659.5357 14431.6922 247.4939 -202698.0467 2536.7419 0.0000 0.0000 52250.3327 -108606.9011 300.2834 -160857.2338 -108244.3356 300.9426 3.8049 26.4478 763659.2028 8.4148 8.2951 PRESSURE: 27400 119.873 131.325 -35.4427 131.326 -96.4865 22.7968 -35.4428 22.7968 -144.314 GPRESSURE: 27400 51.202 147.519 -115.295 96.7747 -40.999 28.2105 107.499 -58.0937 -63.7983 PRESSAVG: 27400 34.2806 -57.9651 -16.3809 -57.9651 -8.68278 -20.195 -16.3809 -20.1951 -16.8228 GPRESSAVG: 27400 33.4854 -58.3267 -18.4586 -58.4626 -6.8213 -18.9849 -14.191 -21.5189 -18.1403 TIMING: 27400 CPU: 86.4379, 0.00316604/step Wall: 86.4379, 0.00316604/step, 4.37319 hours remaining, 221.527344 MB of memory in use. ENERGY: 27400 4023.4515 20625.4892 14417.2718 235.1004 -202811.0666 2761.9455 0.0000 0.0000 51988.8120 -108758.9962 298.7804 -160747.8082 -108401.8690 300.7103 -40.3092 -17.8651 762813.2060 2.9250 2.8413 PRESSURE: 27600 -363.582 -57.7458 -108.603 -57.7459 -193.404 -98.0079 -108.602 -98.0088 -378.44 GPRESSURE: 27600 -250.903 -77.4137 -6.38745 -57.928 -223.715 -70.8459 -117.7 -109.918 -375.432 PRESSAVG: 27600 -45.8385 -6.771 -28.4738 -6.771 33.4152 -53.1887 -28.4739 -53.1887 -11.1357 GPRESSAVG: 27600 -44.2522 -3.93662 -29.0904 -9.72106 31.1953 -54.6267 -29.9862 -52.7312 -10.8508 TIMING: 27600 CPU: 87.069, 0.0031556/step Wall: 87.069, 0.0031556/step, 4.35859 hours remaining, 221.527344 MB of memory in use. ENERGY: 27600 4033.5333 20517.6904 14468.0983 275.0427 -202688.0943 2546.4971 0.0000 0.0000 51878.9665 -108968.2661 298.1491 -160847.2326 -108616.0173 299.7505 -311.8084 -283.3500 762095.8484 -7.8530 -7.9692 PRESSURE: 27800 -39.4326 137.892 101.05 137.892 -41.5916 -42.3796 101.05 -42.3789 -24.7957 GPRESSURE: 27800 -75.1962 75.7026 122.805 209.801 77.2536 -15.8408 82.9632 -139.945 -18.1463 PRESSAVG: 27800 7.70027 11.7569 37.7742 11.7569 -0.268934 -6.31452 37.7742 -6.31457 -14.3445 GPRESSAVG: 27800 7.80968 9.28957 40.3373 13.4263 -0.0582598 -4.1967 37.2276 -6.05116 -14.8534 TIMING: 27800 CPU: 87.6947, 0.00312848/step Wall: 87.6947, 0.00312848/step, 4.32096 hours remaining, 221.527344 MB of memory in use. ENERGY: 27800 3939.1258 20638.6903 14351.7483 241.9786 -202996.9134 2502.0568 0.0000 0.0000 52183.4295 -109139.8842 299.8989 -161323.3137 -108781.4699 299.4368 -35.2733 -5.3630 764125.2024 -2.3044 -2.3673 PRESSURE: 28000 -155.482 65.9422 146.848 65.9421 248.892 151.829 146.849 151.83 124.388 GPRESSURE: 28000 17.5987 -72.8087 145.114 25.1839 128.116 188.341 9.43076 157.067 144.566 PRESSAVG: 28000 24.5929 5.57933 35.7533 5.57938 -21.3963 -19.4881 35.7534 -19.4881 -2.19164 GPRESSAVG: 28000 24.7764 5.41926 33.7552 6.10389 -20.7447 -21.4604 36.9249 -18.5136 -2.76083 TIMING: 28000 CPU: 88.3192, 0.00312254/step Wall: 88.3192, 0.00312254/step, 4.31258 hours remaining, 221.527344 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: 28000 3961.8001 20487.6087 14369.4105 254.1357 -202862.7920 2473.8099 0.0000 0.0000 51930.7464 -109385.2807 298.4467 -161316.0271 -109023.8902 299.1675 72.5994 96.7601 763458.4770 0.3350 0.4236 PRESSURE: 28200 529.675 61.3199 -15.6487 61.3189 -44.9656 -212.223 -15.6488 -212.224 -27.7541 GPRESSURE: 28200 489.014 -74.3939 12.5076 147.247 7.42982 -189.004 -30.6078 -122.091 34.045 PRESSAVG: 28200 -28.5904 1.08984 27.3976 1.08985 -24.7845 -0.678277 27.3976 -0.678277 -1.89832 GPRESSAVG: 28200 -29.1673 2.30389 26.7043 0.939517 -25.2164 1.98705 27.5187 -2.60179 -1.20624 TIMING: 28200 CPU: 88.945, 0.00312902/step Wall: 88.945, 0.00312902/step, 4.32134 hours remaining, 221.527344 MB of memory in use. ENERGY: 28200 3956.5389 20640.0039 14298.8022 256.3024 -202693.5821 2514.5479 0.0000 0.0000 51924.5039 -109102.8829 298.4108 -161027.3868 -108750.8825 299.3657 152.3184 176.8296 762164.5718 -18.4244 -18.5300 LDB: ============= START OF LOAD BALANCING ============== 101.48 LDB: ============== END OF LOAD BALANCING =============== 101.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 101.481 LDB: ============= START OF LOAD BALANCING ============== 101.799 LDB: Largest compute 7070 load 0.030802 is 15.8% of average load 0.194462 LDB: Average compute 0.004361 is 2.2% of average load 0.194462 LDB: TIME 101.803 LOAD: AVG 0.194462 MAX 0.21232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.223 MB LDB: TIME 101.803 LOAD: AVG 0.194462 MAX 0.21232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.43 MB LDB: TIME 101.803 LOAD: AVG 0.194462 MAX 0.21232 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.43 MB LDB: ============== END OF LOAD BALANCING =============== 101.805 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 101.81 PRESSURE: 28400 -210.199 40.1035 133.627 40.1037 -119.179 50.9096 133.627 50.909 -126.43 GPRESSURE: 28400 -102.175 23.9074 112.082 -125.896 -112.648 -72.792 206.298 22.5215 -164.597 PRESSAVG: 28400 -0.923592 11.2471 4.80055 11.2472 80.7573 18.7079 4.80053 18.708 10.5052 GPRESSAVG: 28400 -0.508908 10.7568 7.45968 10.8942 81.95 14.6963 5.20044 19.6081 9.47977 TIMING: 28400 CPU: 89.5934, 0.00324177/step Wall: 89.5934, 0.00324177/step, 4.47688 hours remaining, 221.742188 MB of memory in use. ENERGY: 28400 3975.5613 20680.2520 14298.5680 231.8562 -202964.7319 2470.0025 0.0000 0.0000 52187.6379 -109120.8539 299.9231 -161308.4919 -108754.2278 299.5020 -151.9359 -126.4732 763676.0145 30.1129 30.3070 PRESSURE: 28600 173.731 -144.544 2.32628 -144.544 200.485 76.0359 2.32608 76.0357 283.05 GPRESSURE: 28600 183.221 -163.725 85.5138 -247.32 258.84 57.9238 35.0998 36.0138 298.098 PRESSAVG: 28600 -60.305 -26.0143 -6.37391 -26.0143 35.369 4.06292 -6.37388 4.06285 -0.196956 GPRESSAVG: 28600 -61.4993 -27.2251 -7.08166 -26.5689 35.5118 3.94042 -5.85275 5.0778 0.912651 TIMING: 28600 CPU: 90.2215, 0.00314044/step Wall: 90.2215, 0.00314044/step, 4.33677 hours remaining, 221.742188 MB of memory in use. ENERGY: 28600 3954.0071 20520.9887 14340.8846 247.6671 -203374.6866 3015.1539 0.0000 0.0000 52219.4798 -109076.5053 300.1061 -161295.9851 -108713.5623 299.9386 219.0886 246.7199 765143.0449 -8.3777 -8.3583 PRESSURE: 28800 -203.076 -132.993 105.715 -132.993 -294.34 -118.117 105.716 -118.117 -189.461 GPRESSURE: 28800 -129.457 -51.4912 155.616 17.7069 -353.438 -149.371 -31.8703 -34.0575 -116.264 PRESSAVG: 28800 31.1566 -68.6067 5.70067 -68.6067 -21.9518 -48.9089 5.7007 -48.9088 -8.28 GPRESSAVG: 28800 32.3201 -68.5003 7.08514 -65.6 -23.5704 -46.8674 5.22123 -48.6995 -8.37009 TIMING: 28800 CPU: 90.8483, 0.00313401/step Wall: 90.8483, 0.00313401/step, 4.32772 hours remaining, 221.800781 MB of memory in use. ENERGY: 28800 3935.7439 20497.3701 14337.4028 246.1576 -202578.7354 2262.9199 0.0000 0.0000 52206.1033 -109093.0379 300.0292 -161299.1411 -108728.2646 299.8799 -228.9591 -199.7200 765470.9218 0.3083 0.1265 PRESSURE: 29000 385.803 51.7132 -81.4638 51.7132 17.6758 -57.7843 -81.4636 -57.7839 -67.7636 GPRESSURE: 29000 355.722 74.6169 -40.8106 -4.08406 77.8936 -102.464 -124.737 53.9591 -19.2198 PRESSAVG: 29000 33.9472 -60.8089 7.04207 -60.8088 8.96313 15.653 7.04208 15.6528 16.8257 GPRESSAVG: 29000 33.3066 -58.8438 6.13676 -62.4086 8.93903 16.8405 6.86321 15.0531 17.5301 TIMING: 29000 CPU: 91.4708, 0.00311255/step Wall: 91.4708, 0.00311255/step, 4.29791 hours remaining, 221.867188 MB of memory in use. ENERGY: 29000 3944.2211 20447.5548 14295.9554 242.6450 -202755.1058 2497.5325 0.0000 0.0000 52390.1320 -108937.0650 301.0868 -161327.1970 -108563.8438 300.4403 111.9052 138.1321 763780.9792 19.9120 19.9253 PRESSURE: 29200 39.6934 -42.7478 394.634 -42.7479 -38.9112 48.5359 394.634 48.5347 -159.509 GPRESSURE: 29200 106.133 -77.2112 348.045 -139.903 -1.6776 4.37122 290.976 145.157 -164.874 PRESSAVG: 29200 33.8435 -9.21256 54.8553 -9.21257 -31.4827 -9.17305 54.8553 -9.17293 -12.3268 GPRESSAVG: 29200 35.9676 -10.3105 53.3429 -11.7302 -32.9026 -9.62038 56.4347 -8.95644 -13.2305 TIMING: 29200 CPU: 92.097, 0.00313125/step Wall: 92.097, 0.00313125/step, 4.32356 hours remaining, 221.867188 MB of memory in use. ENERGY: 29200 3957.6003 20477.7500 14331.3080 262.5234 -202829.0540 2487.4242 0.0000 0.0000 52237.2940 -109075.1541 300.2084 -161312.4481 -108704.4245 299.8008 -52.9090 -20.1395 764300.0878 -3.3220 -3.3885 PRESSURE: 29400 288.582 -33.8922 171.296 -33.8923 295.141 -187.218 171.295 -187.217 -87.4108 GPRESSURE: 29400 275.106 47.3645 228.482 22.678 348.499 -101.147 81.4029 -220.807 -41.0341 PRESSAVG: 29400 57.5421 -25.2393 0.0542271 -25.2393 -27.0089 -8.76886 0.0541646 -8.76894 0.554586 GPRESSAVG: 29400 56.4238 -25.9101 2.40241 -23.0801 -25.0463 -6.70657 -3.57528 -8.85431 0.07851 TIMING: 29400 CPU: 92.719, 0.00310972/step Wall: 92.719, 0.00310972/step, 4.29366 hours remaining, 221.867188 MB of memory in use. ENERGY: 29400 3992.0636 20676.7486 14314.3234 244.5234 -202838.2559 2630.4178 0.0000 0.0000 52068.2665 -108911.9126 299.2370 -160980.1791 -108553.3385 299.5195 165.4375 194.1902 764012.2374 10.3626 10.4853 PRESSURE: 29600 24.9346 125.296 48.0029 125.296 -165.663 139.32 48.0028 139.319 -86.5288 GPRESSURE: 29600 2.38858 185.834 83.8884 3.63783 -129.19 41.0892 -36.623 26.6762 -42.2811 PRESSAVG: 29600 3.91126 3.56377 11.8614 3.5638 -52.9592 -26.099 11.8614 -26.0989 -28.5827 GPRESSAVG: 29600 2.38311 4.13624 11.6243 5.02969 -54.1668 -27.9564 13.6078 -29.056 -26.3641 TIMING: 29600 CPU: 93.3436, 0.00312301/step Wall: 93.3436, 0.00312301/step, 4.31184 hours remaining, 221.867188 MB of memory in use. ENERGY: 29600 3953.0060 20623.0373 14349.5200 233.4627 -203033.6972 2581.9557 0.0000 0.0000 52156.1815 -109136.5339 299.7423 -161292.7154 -108780.8201 299.7494 -75.7522 -56.3607 764493.2941 -25.8769 -26.0493 PRESSURE: 29800 110.86 -8.79768 -49.5921 -8.79796 -49.4793 -452.726 -49.5908 -452.726 604.397 GPRESSURE: 29800 171.575 -48.2145 -70.4519 21.1086 -0.920678 -390.586 -72.6578 -348.424 576.734 PRESSAVG: 29800 22.8689 4.13448 -28.1788 4.13445 -51.8947 -42.8435 -28.1788 -42.8435 2.38066 GPRESSAVG: 29800 23.5116 4.97717 -30.2766 1.87398 -52.1031 -43.9809 -27.6891 -39.425 1.6716 TIMING: 29800 CPU: 93.966, 0.00311182/step Wall: 93.966, 0.00311182/step, 4.29621 hours remaining, 221.867188 MB of memory in use. ENERGY: 29800 4017.3757 20712.6084 14325.2130 237.9132 -203343.9167 2969.8498 0.0000 0.0000 52087.0038 -108993.9528 299.3447 -161080.9567 -108646.1193 299.5712 221.9257 249.1295 765156.4150 -8.8817 -8.9733 PRESSURE: 30000 -382.071 52.718 56.5334 52.7183 50.2141 107.693 56.5325 107.694 26.4759 GPRESSURE: 30000 -345.903 172.183 107.677 -19.1269 69.4111 22.9684 76.7014 79.2175 89.8961 PRESSAVG: 30000 -19.9036 -20.3341 -43.7997 -20.3341 -7.74275 -7.38 -43.7998 -7.37994 1.11128 GPRESSAVG: 30000 -18.4034 -22.6433 -42.7347 -20.3085 -7.36898 -6.33904 -44.2074 -7.77438 -0.199094 TIMING: 30000 CPU: 94.5899, 0.00311953/step Wall: 94.5899, 0.00311953/step, 4.30668 hours remaining, 221.867188 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: 30000 4024.9521 20514.2073 14384.3273 226.8811 -203004.8476 2613.4230 0.0000 0.0000 52265.6428 -108975.4141 300.3714 -161241.0569 -108610.4514 299.9067 -101.7938 -62.1988 764323.3222 -8.8450 -8.6572 PRESSURE: 30200 2.8767 -125.86 -234.721 -125.86 -71.092 -207.224 -234.721 -207.225 24.6291 GPRESSURE: 30200 90.5307 -99.2678 -226.823 -29.53 -41.5656 -227.368 -221.201 -195.209 -2.08004 PRESSAVG: 30200 6.74876 -39.518 -33.2821 -39.518 -22.8568 1.32747 -33.282 1.32754 6.71047 GPRESSAVG: 30200 7.61843 -40.9341 -32.0883 -39.5258 -24.0793 1.76286 -34.4429 -0.200117 7.43732 TIMING: 30200 CPU: 95.2165, 0.00313296/step Wall: 95.2165, 0.00313296/step, 4.32505 hours remaining, 221.867188 MB of memory in use. ENERGY: 30200 3962.7309 20620.4252 14375.0231 242.2549 -203063.0759 2658.2391 0.0000 0.0000 52081.1188 -109123.2839 299.3109 -161204.4027 -108761.1198 299.7380 -14.5287 15.6283 762379.2902 -3.1325 -3.0078 PRESSURE: 30400 243.372 129.307 30.0944 129.307 53.1667 -170.903 30.0938 -170.903 27.0713 GPRESSURE: 30400 201.12 146.38 -22.5097 47.0325 143.694 -232.094 134.029 0.166124 47.5348 PRESSAVG: 30400 43.6865 -21.0462 -36.3778 -21.0462 1.04081 -25.2572 -36.3778 -25.2572 5.91828 GPRESSAVG: 30400 42.4953 -19.06 -38.0924 -20.759 3.19426 -25.6437 -35.0655 -23.1196 5.14585 TIMING: 30400 CPU: 95.8445, 0.00314012/step Wall: 95.8445, 0.00314012/step, 4.33476 hours remaining, 221.867188 MB of memory in use. ENERGY: 30400 3958.5658 20568.0026 14356.3236 240.2740 -203479.4050 2670.5105 0.0000 0.0000 52488.1093 -109197.6192 301.6499 -161685.7286 -108833.2188 299.9694 107.8698 130.7830 761103.9906 16.8819 16.9451 PRESSURE: 30600 -463.89 -17.7446 -98.4487 -17.7446 -147.05 83.955 -98.4484 83.9551 -4.66308 GPRESSURE: 30600 -372.7 -105.118 -108.684 11.0762 -94.4858 146.431 -165.346 -23.5421 -66.4292 PRESSAVG: 30600 -45.3038 -17.4086 -46.3715 -17.4086 2.55499 -17.4149 -46.3716 -17.4149 25.6978 GPRESSAVG: 30600 -45.6882 -16.4943 -46.2382 -17.5018 1.08708 -17.6935 -47.2653 -17.4349 26.9981 TIMING: 30600 CPU: 96.4704, 0.00312945/step Wall: 96.4704, 0.00312945/step, 4.31986 hours remaining, 221.867188 MB of memory in use. ENERGY: 30600 4004.7032 20588.0104 14447.0547 264.0321 -203051.1085 2448.0753 0.0000 0.0000 52000.9714 -109298.2613 298.8503 -161299.2327 -108947.0026 299.1361 -205.2010 -177.8715 763032.5752 -5.6836 -5.8677 PRESSURE: 30800 12.1653 -79.8379 160.329 -79.8378 -191.937 94.3183 160.33 94.3176 -258.522 GPRESSURE: 30800 106.45 -9.82662 176.552 -56.6511 -201.389 -3.00918 -5.4072 60.4029 -258.759 PRESSAVG: 30800 45.4824 1.68586 27.5031 1.68584 -11.6997 -30.266 27.5031 -30.2659 -10.2836 GPRESSAVG: 30800 45.3733 2.11136 27.5527 0.689952 -10.6888 -32.0073 27.7206 -29.9258 -11.3519 TIMING: 30800 CPU: 97.0948, 0.00312219/step Wall: 97.0948, 0.00312219/step, 4.30967 hours remaining, 221.867188 MB of memory in use. ENERGY: 30800 4002.1791 20473.5189 14379.8124 247.7555 -202906.7004 2668.5251 0.0000 0.0000 51889.4138 -109245.4957 298.2092 -161134.9095 -108884.5032 299.3215 -146.0976 -117.8992 764246.3145 7.8330 7.7775 PRESSURE: 31000 -39.6794 -52.7638 57.9007 -52.7637 344.335 -244.39 57.9004 -244.39 476.784 GPRESSURE: 31000 -5.50988 61.1417 66.3997 -37.9682 371.725 -158.104 118.675 -258.003 506.776 PRESSAVG: 31000 64.8548 -31.1002 55.7015 -31.1002 -0.88851 -38.6627 55.7015 -38.6626 4.07403 GPRESSAVG: 31000 65.2653 -32.0049 55.1639 -28.869 -0.987101 -35.0114 56.0071 -39.7521 3.75923 TIMING: 31000 CPU: 97.7226, 0.00313921/step Wall: 97.7226, 0.00313921/step, 4.33298 hours remaining, 221.867188 MB of memory in use. ENERGY: 31000 3910.8719 20417.0803 14359.4825 271.1038 -203343.7729 2919.1796 0.0000 0.0000 52177.8920 -109288.1629 299.8671 -161466.0550 -108921.9896 299.0946 260.4800 290.9971 761485.6552 22.6801 22.6791 PRESSURE: 31200 100.192 177.6 61.1002 177.601 493.738 -46.4559 61.1005 -46.4564 282.329 GPRESSURE: 31200 173.349 218.173 133.261 104.607 468.663 -57.2961 -185.79 -47.1724 317.642 PRESSAVG: 31200 -15.5782 3.99599 16.352 3.99602 56.4011 -29.3463 16.352 -29.3462 27.4875 GPRESSAVG: 31200 -16.9555 5.96395 17.7475 3.20426 55.9212 -29.3323 15.3017 -28.6925 29.3538 TIMING: 31200 CPU: 98.3497, 0.00313534/step Wall: 98.3497, 0.00313534/step, 4.32746 hours remaining, 221.867188 MB of memory in use. ENERGY: 31200 3945.9257 20353.8837 14353.0473 234.6547 -203619.6611 3178.8339 0.0000 0.0000 52040.8666 -109512.4492 299.0796 -161553.3158 -109149.1444 299.1040 292.0863 319.8846 761765.1521 22.7702 22.7731 PRESSURE: 31400 -208.445 108.626 -20.4598 108.627 56.7746 84.0874 -20.4602 84.0865 -281.304 GPRESSURE: 31400 -128.691 135.45 38.039 5.03141 131.779 98.3393 -71.3151 -6.31763 -357.848 PRESSAVG: 31400 -42.223 11.5654 10.4604 11.5654 7.0878 -82.6085 10.4605 -82.6086 -0.290338 GPRESSAVG: 31400 -41.5767 10.2929 10.2287 10.4284 8.67119 -84.7827 12.0319 -81.5167 -2.42129 TIMING: 31400 CPU: 98.9742, 0.00312232/step Wall: 98.9742, 0.00312232/step, 4.30932 hours remaining, 221.867188 MB of memory in use. ENERGY: 31400 3956.9782 20596.6772 14380.7539 253.1043 -202940.3905 2567.8736 0.0000 0.0000 51820.5955 -109364.4079 297.8137 -161185.0034 -109009.0451 298.4255 -144.3246 -118.2531 763449.5616 -11.8085 -11.7756 PRESSURE: 31600 -72.589 46.218 -60.9305 46.2178 -39.2514 -163.371 -60.9301 -163.37 -85.07 GPRESSURE: 31600 9.5578 -4.35353 -40.2447 191.356 -30.3247 -143.083 -91.2317 -115.771 -60.7583 PRESSAVG: 31600 -24.041 13.3451 1.92937 13.3451 74.4142 17.316 1.92945 17.316 -10.5962 GPRESSAVG: 31600 -23.5629 13.9373 2.16976 13.233 74.3586 18.4006 2.3765 16.3495 -10.765 TIMING: 31600 CPU: 99.6018, 0.00313831/step Wall: 99.6018, 0.00313831/step, 4.33121 hours remaining, 221.867188 MB of memory in use. ENERGY: 31600 4004.9150 20395.2118 14481.2209 241.4401 -203045.8169 2810.1552 0.0000 0.0000 51905.5926 -109207.2812 298.3022 -161112.8738 -108847.1211 298.9278 -65.6368 -27.1751 763974.3281 13.2590 13.3435 PRESSURE: 31800 1.15087 259.741 69.8948 259.742 207.201 139.729 69.896 139.73 222.833 GPRESSURE: 31800 -9.712 143.378 37.46 134.005 217.226 162.576 62.4661 141.302 290.489 PRESSAVG: 31800 -21.5554 5.13701 -83.1414 5.13697 42.661 -34.1071 -83.1414 -34.1071 -17.9251 GPRESSAVG: 31800 -21.2373 5.10358 -82.7807 4.81317 41.4984 -34.8703 -83.1235 -35.8673 -16.5988 TIMING: 31800 CPU: 100.23, 0.00314222/step Wall: 100.23, 0.00314222/step, 4.33643 hours remaining, 221.867188 MB of memory in use. ENERGY: 31800 3934.1584 20610.7009 14403.3740 246.6398 -203172.4911 2919.4321 0.0000 0.0000 52159.1925 -108898.9935 299.7596 -161058.1859 -108532.7231 299.2604 143.7284 166.0009 763998.1417 1.0602 1.2208 PRESSURE: 32000 84.4554 163.333 97.6025 163.333 -21.3633 -338.658 97.6013 -338.659 -152.929 GPRESSURE: 32000 21.3286 144.538 162.495 124.851 63.5448 -279.774 129.674 -246.21 -106.43 PRESSAVG: 32000 -44.2857 8.88878 31.2826 8.88873 31.1773 -38.2352 31.2826 -38.2352 9.37143 GPRESSAVG: 32000 -44.1051 6.81829 33.4467 10.0809 30.854 -37.899 29.4346 -37.3207 9.30197 TIMING: 32000 CPU: 100.858, 0.00313789/step Wall: 100.858, 0.00313789/step, 4.33028 hours remaining, 221.867188 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: 32000 4024.5875 20574.7653 14442.5596 242.5846 -202991.2013 2618.9672 0.0000 0.0000 52091.1718 -108996.5654 299.3687 -161087.7371 -108636.3416 299.7790 -29.9456 -7.1857 763819.7069 -1.2456 -1.3164 PRESSURE: 32200 -195.896 -124.966 81.2142 -124.966 124.308 94.0677 81.2141 94.0676 210.331 GPRESSURE: 32200 -134.453 -113.19 113.359 -113.176 115.833 140.483 13.7441 130.206 228.477 PRESSAVG: 32200 6.62314 -4.29065 19.1953 -4.29068 20.6372 10.119 19.1953 10.119 3.43955 GPRESSAVG: 32200 7.70225 -2.77116 15.3909 -5.07109 21.0147 9.40658 19.2987 10.1546 2.47384 TIMING: 32200 CPU: 101.487, 0.0031454/step Wall: 101.487, 0.0031454/step, 4.34048 hours remaining, 221.867188 MB of memory in use. ENERGY: 32200 3958.9454 20522.1666 14478.8686 256.4571 -203076.3854 2681.4004 0.0000 0.0000 52125.5233 -109053.0239 299.5661 -161178.5473 -108691.7659 299.9891 46.2478 69.9524 761283.9175 10.2333 10.3969 LDB: ============= START OF LOAD BALANCING ============== 114.019 LDB: ============== END OF LOAD BALANCING =============== 114.019 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 114.02 LDB: ============= START OF LOAD BALANCING ============== 114.335 LDB: Largest compute 7070 load 0.031689 is 16.3% of average load 0.194625 LDB: Average compute 0.004376 is 2.2% of average load 0.194625 LDB: TIME 114.339 LOAD: AVG 0.194625 MAX 0.217887 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.371 MB LDB: TIME 114.339 LOAD: AVG 0.194625 MAX 0.217887 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.371 MB LDB: TIME 114.339 LOAD: AVG 0.194625 MAX 0.215519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.375 MB LDB: ============== END OF LOAD BALANCING =============== 114.341 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 114.346 PRESSURE: 32400 -152.617 -113.554 82.2856 -113.553 -225.992 -169.85 82.2857 -169.852 192.006 GPRESSURE: 32400 -33.4195 26.0238 91.7567 -142.44 -208.822 -181.059 -28.2043 -80.494 153.135 PRESSAVG: 32400 27.9496 31.2998 -11.4988 31.2997 -4.94235 18.8619 -11.4988 18.862 0.0718601 GPRESSAVG: 32400 26.9346 29.0309 -11.7155 33.7712 -4.43033 20.2656 -11.087 18.8758 0.809999 TIMING: 32400 CPU: 102.129, 0.00321009/step Wall: 102.129, 0.00321009/step, 4.42957 hours remaining, 224.859375 MB of memory in use. ENERGY: 32400 4013.4494 20550.4802 14369.1061 252.8597 -202930.7573 2623.2330 0.0000 0.0000 51975.0636 -109146.5653 298.7014 -161121.6289 -108782.5085 299.7161 -62.2011 -29.7023 762229.0067 7.6930 7.7714 PRESSURE: 32600 163.739 -81.185 21.0257 -81.1855 -3.90635 -56.9988 21.0264 -56.997 -39.5093 GPRESSURE: 32600 237.247 -13.6733 87.7542 -149.626 82.2799 -227.376 -8.30695 -42.1753 -108.721 PRESSAVG: 32600 7.57177 29.9844 -23.5444 29.9845 6.57607 1.18419 -23.5444 1.18409 25.2012 GPRESSAVG: 32600 7.13317 30.629 -23.6639 25.9731 6.56878 -0.353797 -22.5665 3.03971 25.6916 TIMING: 32600 CPU: 102.756, 0.00313549/step Wall: 102.756, 0.00313549/step, 4.32646 hours remaining, 224.859375 MB of memory in use. ENERGY: 32600 4045.5814 20390.7893 14336.4892 236.8467 -203203.5510 2760.6852 0.0000 0.0000 52159.9538 -109273.2054 299.7640 -161433.1592 -108917.0842 299.2694 40.1079 70.2687 762389.3565 13.1163 13.1312 PRESSURE: 32800 55.7379 112.821 139.761 112.821 235.222 -110.98 139.761 -110.98 -59.1709 GPRESSURE: 32800 73.8851 36.3026 159.697 182.588 215.435 -87.6215 38.9878 -179.061 14.7492 PRESSAVG: 32800 -0.762315 32.4061 -59.2745 32.4061 -1.80781 -5.39645 -59.2745 -5.39647 -14.5151 GPRESSAVG: 32800 0.575476 33.3633 -57.9077 34.1722 -2.30963 -5.19614 -58.4276 -6.85925 -14.985 TIMING: 32800 CPU: 103.382, 0.00312803/step Wall: 103.382, 0.00312803/step, 4.31599 hours remaining, 224.859375 MB of memory in use. ENERGY: 32800 4012.4163 20536.7061 14411.0872 243.7215 -203192.2678 2631.5055 0.0000 0.0000 51932.0654 -109424.7658 298.4543 -161356.8312 -109065.4093 298.7869 77.2629 101.3565 760795.7213 -5.6951 -5.5730 PRESSURE: 33000 -109.565 -140.829 17.1045 -140.83 106.855 -46.9439 17.1039 -46.9447 -405.94 GPRESSURE: 33000 -123.371 -172.405 23.3361 -243.919 104.775 3.74769 -48.8334 167.811 -311.766 PRESSAVG: 33000 0.561244 -33.8985 -25.1029 -33.8985 8.73637 -25.2203 -25.1029 -25.2203 14.7563 GPRESSAVG: 33000 -0.363474 -33.5518 -25.4656 -34.5326 8.44202 -24.7599 -26.203 -24.353 15.9724 TIMING: 33000 CPU: 104.012, 0.00315163/step Wall: 104.012, 0.00315163/step, 4.34837 hours remaining, 224.859375 MB of memory in use. ENERGY: 33000 3986.4459 20442.0525 14387.0874 254.1867 -202966.2455 2387.5741 0.0000 0.0000 52078.4275 -109430.4713 299.2954 -161508.8988 -109067.9148 298.9693 -136.2166 -110.1206 761798.6460 8.0180 8.0170 PRESSURE: 33200 -77.2514 -98.0904 71.1454 -98.0899 117.818 105.177 71.1448 105.177 -83.8607 GPRESSURE: 33200 57.5111 -85.1359 113.332 -72.3167 109.832 116.659 45.7366 -82.0973 -141.083 PRESSAVG: 33200 19.774 -73.8424 8.52093 -73.8424 -32.9757 13.234 8.5209 13.234 -5.0152 GPRESSAVG: 33200 20.4433 -75.1128 9.40863 -72.922 -31.8606 12.0636 8.08725 13.7734 -6.94554 TIMING: 33200 CPU: 104.643, 0.00315619/step Wall: 104.643, 0.00315619/step, 4.35449 hours remaining, 225.074219 MB of memory in use. ENERGY: 33200 3966.3355 20493.8757 14436.5568 228.6848 -203201.6217 2599.9339 0.0000 0.0000 52036.2498 -109439.9852 299.0530 -161476.2350 -109079.9934 298.9596 -14.4313 8.7535 761155.6506 -6.0723 -6.1209 PRESSURE: 33400 -573.905 -31.1763 -90.1425 -31.177 -320.624 251.297 -90.1421 251.296 304.763 GPRESSURE: 33400 -420.771 43.1185 -96.9972 33.0009 -329.803 270.542 -130.537 123.263 251.705 PRESSAVG: 33400 14.9466 -90.1566 -21.9865 -90.1566 -18.9832 62.1536 -21.9865 62.1535 0.658411 GPRESSAVG: 33400 14.9405 -90.3762 -22.6042 -90.1074 -18.678 59.8189 -21.7385 60.8905 0.551728 TIMING: 33400 CPU: 105.274, 0.00315253/step Wall: 105.274, 0.00315253/step, 4.34927 hours remaining, 225.074219 MB of memory in use. ENERGY: 33400 3975.7147 20564.5000 14368.4862 261.7808 -203262.3788 2612.7816 0.0000 0.0000 52280.2149 -109198.9006 300.4551 -161479.1155 -108832.9908 299.2405 -196.5890 -166.2898 760943.9975 -1.1261 -1.0619 PRESSURE: 33600 -4.64729 36.4213 -146.629 36.4214 -199.75 -243.968 -146.627 -243.968 197.214 GPRESSURE: 33600 34.9133 86.793 -89.7518 15.1871 -106.611 -248.962 -127.221 -137.764 164.62 PRESSAVG: 33600 16.4144 -69.1652 -28.1319 -69.1652 -25.6766 23.2299 -28.1318 23.2299 3.49043 GPRESSAVG: 33600 16.338 -68.8964 -27.5668 -68.3438 -26.5784 26.2263 -26.8787 23.2454 4.62798 TIMING: 33600 CPU: 105.902, 0.00313983/step Wall: 105.902, 0.00313983/step, 4.33157 hours remaining, 225.074219 MB of memory in use. ENERGY: 33600 3971.5053 20521.8768 14346.1496 240.9886 -202827.3391 2217.2648 0.0000 0.0000 52037.0134 -109492.5406 299.0574 -161529.5540 -109135.2729 299.2200 -2.3945 30.9742 761059.3422 -1.9239 -1.8708 PRESSURE: 33800 -217.621 -57.9968 154.13 -57.9973 -89.6575 90.541 154.13 90.5408 -180.433 GPRESSURE: 33800 -130.422 -8.11522 118.372 -131.407 -62.845 52.2767 123.146 -2.00252 -207.314 PRESSAVG: 33800 -30.0396 -24.1126 -12.6744 -24.1126 43.8942 27.1784 -12.6743 27.1784 4.96423 GPRESSAVG: 33800 -30.4336 -25.4102 -12.9832 -26.2336 43.7562 26.2799 -13.3626 27.2385 5.14372 TIMING: 33800 CPU: 106.532, 0.0031533/step Wall: 106.532, 0.0031533/step, 4.34998 hours remaining, 225.074219 MB of memory in use. ENERGY: 33800 3980.2914 20470.1685 14441.2955 272.0125 -203528.1984 2695.6927 0.0000 0.0000 51946.6405 -109722.0973 298.5381 -161668.7378 -109364.6914 298.4491 -162.5704 -133.5267 760700.7237 6.2729 6.1554 PRESSURE: 34000 -35.4288 -170.905 118.142 -170.905 132.251 143.886 118.142 143.886 153.271 GPRESSURE: 34000 -8.79155 -247.745 62.3437 5.59419 145.351 -6.7395 49.3641 132.309 185.964 PRESSAVG: 34000 -21.7448 -31.1959 52.7318 -31.1959 47.8256 2.24713 52.7318 2.24716 -23.3389 GPRESSAVG: 34000 -21.0171 -28.6037 51.8952 -29.0312 47.5941 2.56535 55.0677 2.58342 -23.9636 TIMING: 34000 CPU: 107.164, 0.00315601/step Wall: 107.164, 0.00315601/step, 4.35354 hours remaining, 225.074219 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: 34000 3991.5928 20569.6919 14348.6056 246.0733 -203525.5946 2798.3890 0.0000 0.0000 51991.9905 -109579.2516 298.7987 -161571.2420 -109223.5181 297.9816 83.3642 107.5079 762912.0814 0.9140 0.8711 PRESSURE: 34200 277.222 23.497 -215.802 23.4958 282.875 212.952 -215.802 212.951 -305.501 GPRESSURE: 34200 268.166 64.1076 -132.254 116.42 367.774 158.472 -303.827 210.826 -311.851 PRESSAVG: 34200 -25.1809 -18.5819 -26.8252 -18.5819 5.38394 14.6834 -26.8252 14.6834 2.959 GPRESSAVG: 34200 -25.3446 -18.564 -27.5109 -21.2669 4.75971 14.6153 -28.1102 14.1173 4.18201 TIMING: 34200 CPU: 107.792, 0.00314002/step Wall: 107.792, 0.00314002/step, 4.3313 hours remaining, 225.074219 MB of memory in use. ENERGY: 34200 4002.8030 20497.5675 14389.7609 243.3197 -203658.2162 2848.9349 0.0000 0.0000 52333.8183 -109342.0119 300.7632 -161675.8302 -108980.0843 298.8622 84.8651 108.0298 762054.3249 -5.6126 -5.4676 PRESSURE: 34400 281.967 4.60555 108.802 4.60567 434.311 23.3513 108.802 23.351 63.0506 GPRESSURE: 34400 306.002 -36.1154 105.748 47.8966 446.145 -25.8454 182.705 120.137 121.163 PRESSAVG: 34400 -10.6919 -25.1319 11.1045 -25.1319 -15.7461 -50.0169 11.1045 -50.0169 -12.586 GPRESSAVG: 34400 -10.0317 -25.3997 12.7351 -23.8961 -15.8934 -49.221 9.50923 -50.2063 -12.7089 TIMING: 34400 CPU: 108.419, 0.00313959/step Wall: 108.419, 0.00313959/step, 4.33053 hours remaining, 225.074219 MB of memory in use. ENERGY: 34400 4052.1865 20422.4850 14353.7372 237.8230 -203324.7508 2966.8443 0.0000 0.0000 52104.0641 -109187.6108 299.4428 -161291.6749 -108824.2796 299.2030 259.7763 291.1033 763664.5724 -13.0080 -12.8780 PRESSURE: 34600 20.4948 27.0362 73.2328 27.0365 -204.953 -86.5726 73.2335 -86.5723 46.6451 GPRESSURE: 34600 70.9367 112.342 42.7277 88.263 -164.46 20.0642 107.204 -164.28 49.7319 PRESSAVG: 34600 46.1037 -1.77143 51.2181 -1.77143 44.5543 -27.3735 51.2181 -27.3735 -6.4888 GPRESSAVG: 34600 45.2877 -3.38901 49.8583 0.229137 45.0703 -28.6499 52.8946 -24.6913 -6.17151 TIMING: 34600 CPU: 109.051, 0.00315589/step Wall: 109.051, 0.00315589/step, 4.35285 hours remaining, 225.058594 MB of memory in use. ENERGY: 34600 3926.2278 20559.6263 14356.5763 257.2335 -202955.4208 2472.8384 0.0000 0.0000 52073.9384 -109308.9799 299.2696 -161382.9184 -108945.9882 298.7099 -45.9378 -14.5970 763492.0723 28.0564 28.0622 PRESSURE: 34800 -459.31 -97.3274 91.6611 -97.3274 37.3819 -5.73382 91.6623 -5.73473 26.801 GPRESSURE: 34800 -348.289 -181.335 72.4764 -25.2906 -54.7875 -39.3456 33.6112 62.683 65.2498 PRESSAVG: 34800 -18.3039 37.6844 6.10201 37.6844 -12.3961 1.40252 6.10204 1.40249 -26.7038 GPRESSAVG: 34800 -17.9521 37.946 6.08107 34.7169 -12.3713 2.19203 5.10029 -0.626724 -27.249 TIMING: 34800 CPU: 109.676, 0.00312523/step Wall: 109.676, 0.00312523/step, 4.31039 hours remaining, 225.058594 MB of memory in use. ENERGY: 34800 3938.4178 20491.1166 14328.5043 256.8039 -202558.0060 2230.4908 0.0000 0.0000 51982.0594 -109330.6133 298.7416 -161312.6727 -108967.2940 299.2738 -131.7090 -112.6090 763565.1696 -19.1346 -19.1908 PRESSURE: 35000 64.7647 -75.6856 -193.969 -75.6854 -372.232 -75.5894 -193.969 -75.5902 578.379 GPRESSURE: 35000 140.105 -91.2971 -182.612 -138.118 -303.759 -146.802 -158.791 19.7492 508.46 PRESSAVG: 35000 10.7971 -18.0707 45.4424 -18.0707 -33.595 -10.0938 45.4424 -10.0938 11.9505 GPRESSAVG: 35000 11.169 -16.9288 46.7549 -18.2764 -33.505 -10.1308 44.2781 -9.17284 11.4108 TIMING: 35000 CPU: 110.301, 0.00312798/step Wall: 110.301, 0.00312798/step, 4.314 hours remaining, 225.058594 MB of memory in use. ENERGY: 35000 3951.0211 20489.7114 14340.0554 261.8594 -202996.5403 2479.9734 0.0000 0.0000 52056.7876 -109417.1319 299.1711 -161473.9195 -109061.5003 299.1357 90.3039 114.9353 763453.4092 -3.6158 -3.6417 PRESSURE: 35200 -112.563 66.134 81.0064 66.134 171.239 -236.4 81.006 -236.4 124.354 GPRESSURE: 35200 -72.3125 63.5973 102.682 -176.252 253.214 -258.939 43.034 -234.963 74.6065 PRESSAVG: 35200 27.8862 -7.31071 16.8501 -7.31077 -83.965 -50.4959 16.8501 -50.496 -13.1477 GPRESSAVG: 35200 26.7521 -7.47856 16.5369 -6.98037 -82.9304 -49.764 17.6065 -49.8588 -13.3494 TIMING: 35200 CPU: 110.929, 0.00313874/step Wall: 110.929, 0.00313874/step, 4.32867 hours remaining, 225.042969 MB of memory in use. ENERGY: 35200 3971.8462 20746.3722 14346.4623 235.6597 -203480.4254 2757.9232 0.0000 0.0000 52077.9162 -109344.2457 299.2925 -161422.1619 -108982.4388 299.1679 61.0101 85.1694 760884.8913 -23.0755 -23.1759 PRESSURE: 35400 -3.85379 -45.2649 -6.54497 -45.2656 91.08 237.691 -6.54535 237.691 -70.9975 GPRESSURE: 35400 69.7529 40.4534 -46.7092 -127.196 62.0698 274.225 -74.7091 288.822 -27.9107 PRESSAVG: 35400 56.2036 -33.5945 2.92332 -33.5945 -29.6125 45.4903 2.92337 45.4902 26.0392 GPRESSAVG: 35400 57.5547 -33.2767 3.04522 -32.9329 -30.5675 45.2921 1.80121 44.0456 25.4362 TIMING: 35400 CPU: 111.554, 0.00312704/step Wall: 111.554, 0.00312704/step, 4.31236 hours remaining, 225.074219 MB of memory in use. ENERGY: 35400 4041.7450 20421.9250 14389.0957 252.5782 -203144.7768 2745.1080 0.0000 0.0000 51844.9012 -109449.4238 297.9534 -161294.3250 -109084.9369 299.1880 5.4096 34.6373 763821.4201 17.5434 17.4745 PRESSURE: 35600 -158.806 -131.41 40.6911 -131.411 3.82163 -184.103 40.6914 -184.103 81.8572 GPRESSURE: 35600 -155.559 -144.589 57.2118 -129.846 134.146 -131.285 100.228 -145.898 32.8279 PRESSAVG: 35600 -30.6402 6.17791 17.5823 6.17794 33.2825 34.765 17.5823 34.765 -7.25932 GPRESSAVG: 35600 -30.6848 6.0707 16.2764 5.15142 33.3446 34.5525 19.0606 35.7336 -7.18878 TIMING: 35600 CPU: 112.182, 0.00313747/step Wall: 112.182, 0.00313747/step, 4.32657 hours remaining, 225.074219 MB of memory in use. ENERGY: 35600 4081.8477 20419.9975 14396.6101 237.9019 -202683.2549 2363.6031 0.0000 0.0000 52072.1122 -109111.1825 299.2591 -161183.2946 -108735.8850 299.0580 -24.3758 3.8049 763333.1817 -1.5390 -1.5097 PRESSURE: 35800 -52.7923 -151.548 -58.4232 -151.548 284.948 236.896 -58.423 236.895 342.687 GPRESSURE: 35800 -67.643 -277.598 -120.832 -109.808 350.449 279.476 23.8561 222.389 380.719 PRESSAVG: 35800 -35.1965 -7.49038 31.2127 -7.49034 15.5738 -12.0628 31.2127 -12.0629 20.2299 GPRESSAVG: 35800 -36.6434 -8.77059 32.5253 -6.42357 16.6749 -10.5382 30.1861 -14.4598 20.7012 TIMING: 35800 CPU: 112.814, 0.00316068/step Wall: 112.814, 0.00316068/step, 4.3584 hours remaining, 225.074219 MB of memory in use. ENERGY: 35800 3967.7949 20275.8845 14454.5093 246.8808 -203200.1198 2889.9274 0.0000 0.0000 52123.7597 -109241.3632 299.5560 -161365.1229 -108876.0922 299.1117 191.6143 221.1748 763857.1300 0.2024 0.2442 PRESSURE: 36000 168.11 166.499 -73.2201 166.499 -185.178 22.5482 -73.2193 22.5479 147.05 GPRESSURE: 36000 230.958 13.8395 -4.75679 88.3315 -116.073 20.1675 48.3808 -2.10128 123.054 PRESSAVG: 36000 30.9356 -30.1845 17.8921 -30.1846 -32.883 -5.7924 17.8921 -5.79243 15.5082 GPRESSAVG: 36000 31.7405 -29.6377 17.562 -29.443 -34.0209 -8.36277 18.0295 -4.23056 15.9775 TIMING: 36000 CPU: 113.442, 0.00313857/step Wall: 113.442, 0.00313857/step, 4.32773 hours remaining, 225.074219 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: 36000 3929.8834 20489.7706 14324.4884 241.1587 -202862.1635 2688.8702 0.0000 0.0000 51996.7704 -109191.2219 298.8262 -161187.9923 -108825.8120 298.8273 43.3274 79.3126 764361.2997 4.5203 4.5657 PRESSURE: 36200 232.032 -18.5148 2.98228 -18.5136 -175.945 -17.7167 2.9824 -17.7161 -85.3386 GPRESSURE: 36200 274.335 46.2616 11.2465 -42.0284 -215.948 73.2504 9.93232 -30.7819 0.235474 PRESSAVG: 36200 8.56703 -3.87326 15.9331 -3.87321 -27.7932 31.1159 15.9331 31.1159 24.4817 GPRESSAVG: 36200 8.39651 -5.47796 16.5285 -3.55569 -28.1369 31.502 16.4383 30.6872 24.8674 TIMING: 36200 CPU: 114.073, 0.0031581/step Wall: 114.073, 0.0031581/step, 4.3545 hours remaining, 225.074219 MB of memory in use. ENERGY: 36200 3984.1523 20308.0017 14448.5054 248.3513 -203065.6824 2776.1312 0.0000 0.0000 52342.0722 -108958.4682 300.8106 -161300.5405 -108591.3353 298.6870 -9.7506 19.5408 765475.3554 1.7518 1.7090 LDB: ============= START OF LOAD BALANCING ============== 126.605 LDB: ============== END OF LOAD BALANCING =============== 126.606 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 126.607 LDB: ============= START OF LOAD BALANCING ============== 126.922 LDB: Largest compute 7026 load 0.031141 is 16.0% of average load 0.194603 LDB: Average compute 0.004382 is 2.3% of average load 0.194603 LDB: TIME 126.925 LOAD: AVG 0.194603 MAX 0.212323 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 222.836 MB LDB: TIME 126.926 LOAD: AVG 0.194603 MAX 0.212323 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.02 MB LDB: TIME 126.926 LOAD: AVG 0.194603 MAX 0.212323 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 223.02 MB LDB: ============== END OF LOAD BALANCING =============== 126.928 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 126.932 PRESSURE: 36400 193.428 7.72883 -110.924 7.72871 -28.6197 -243.433 -110.924 -243.433 -195.298 GPRESSURE: 36400 106.987 20.3257 -28.5467 143.616 120.67 -253.824 -135.863 -187.666 -151.237 PRESSAVG: 36400 12.1911 -31.9514 11.0076 -31.9514 -49.5316 -43.2648 11.0076 -43.2648 -10.7437 GPRESSAVG: 36400 11.8152 -29.3834 10.6175 -31.9574 -48.644 -41.9692 11.7178 -43.4987 -11.7724 TIMING: 36400 CPU: 114.715, 0.00321/step Wall: 114.715, 0.00321/step, 4.42587 hours remaining, 224.574219 MB of memory in use. ENERGY: 36400 3909.6770 20472.0078 14429.3515 247.5816 -202996.2088 2772.9184 0.0000 0.0000 52097.5624 -109067.1100 299.4054 -161164.6724 -108699.9898 299.0593 -10.1632 25.4734 763405.7604 -16.0281 -16.2004 PRESSURE: 36600 314.294 232.931 -105.517 232.931 -3.53071 -225.338 -105.518 -225.337 -264.798 GPRESSURE: 36600 308.769 140.484 -98.6862 282.608 25.1887 -192.518 -95.9267 -154.591 -215.855 PRESSAVG: 36600 26.9814 78.9754 -24.96 78.9754 -36.1404 -8.64639 -24.9599 -8.64634 -8.23545 GPRESSAVG: 36600 25.5776 78.8421 -25.6585 75.8725 -35.1975 -8.31565 -25.1745 -7.74422 -7.91962 TIMING: 36600 CPU: 115.344, 0.00314188/step Wall: 115.344, 0.00314188/step, 4.33177 hours remaining, 224.781250 MB of memory in use. ENERGY: 36600 3982.0098 20484.5077 14343.8109 261.1680 -202989.0088 2862.7517 0.0000 0.0000 51995.0436 -109059.7172 298.8162 -161054.7607 -108697.3273 299.0661 15.3217 39.3676 764597.3265 -5.7982 -5.8465 PRESSURE: 36800 -36.5586 28.3111 -41.6764 28.3106 -94.3336 -103.523 -41.6758 -103.523 -109.557 GPRESSURE: 36800 -66.7368 -85.4973 -26.6351 -14.3636 -20.9441 -92.1925 -107.455 -85.8801 -58.3846 PRESSAVG: 36800 18.0348 27.8836 59.7301 27.8836 -33.0911 41.6575 59.7301 41.6575 -0.664024 GPRESSAVG: 36800 19.6167 25.4049 59.6128 30.8079 -34.9717 40.4849 57.7452 41.6681 -0.363707 TIMING: 36800 CPU: 115.972, 0.00314209/step Wall: 115.972, 0.00314209/step, 4.33189 hours remaining, 224.781250 MB of memory in use. ENERGY: 36800 4030.3645 20518.7989 14354.4749 228.7133 -202705.9503 2507.3739 0.0000 0.0000 52081.1676 -108985.0571 299.3112 -161066.2248 -108632.0462 299.4116 -80.1497 -48.6885 763563.6539 -5.2401 -5.2396 PRESSURE: 37000 -13.749 50.1353 -24.0178 50.1366 111.215 61.2046 -24.0176 61.2048 240.712 GPRESSURE: 37000 46.752 87.9053 -25.4598 31.9814 149.139 99.814 1.49528 119.436 215.808 PRESSAVG: 37000 28.7667 26.3099 15.6844 26.31 -36.2699 11.1991 15.6844 11.1992 -9.07282 GPRESSAVG: 37000 30.1902 27.9453 16.7533 26.6361 -35.1886 10.4645 17.4501 10.3263 -11.267 TIMING: 37000 CPU: 116.603, 0.00315403/step Wall: 116.603, 0.00315403/step, 4.34819 hours remaining, 224.781250 MB of memory in use. ENERGY: 37000 3932.9061 20473.9298 14405.3592 241.1865 -203115.3097 2911.9530 0.0000 0.0000 52312.6600 -108837.3150 300.6416 -161149.9750 -108469.2898 300.0061 112.7261 137.2330 763013.4920 -5.5253 -5.4218 PRESSURE: 37200 -1.04261 78.7888 -120.994 78.7884 218.669 -126.446 -120.994 -126.446 -192.555 GPRESSURE: 37200 63.6412 97.1401 -94.8523 127.918 151.745 -206.255 -68.9131 -217.212 -101.037 PRESSAVG: 37200 20.9053 -35.1352 -5.13048 -35.1351 -22.7556 -25.5316 -5.13046 -25.5315 -14.8082 GPRESSAVG: 37200 19.4934 -36.0554 -6.01455 -34.2856 -22.7135 -24.947 -4.78424 -27.0647 -12.7722 TIMING: 37200 CPU: 117.229, 0.00313048/step Wall: 117.229, 0.00313048/step, 4.31554 hours remaining, 224.781250 MB of memory in use. ENERGY: 37200 3919.4467 20532.0351 14432.9394 239.6518 -203200.9622 2793.2467 0.0000 0.0000 52509.3037 -108774.3387 301.7717 -161283.6424 -108406.0465 300.5170 8.3571 38.1164 762734.6123 -5.5528 -5.3308 PRESSURE: 37400 141.977 189.786 -179.919 189.786 -202.278 -181.662 -179.92 -181.661 237.075 GPRESSURE: 37400 196.731 142.928 -94.2852 156.141 -122.703 -231.687 -136.451 -71.3597 178.563 PRESSAVG: 37400 36.8195 -15.974 19.2415 -15.974 -10.6464 -33.8114 19.2415 -33.8115 2.40202 GPRESSAVG: 37400 37.823 -14.9886 20.7944 -19.5477 -10.0026 -34.8644 16.335 -31.5021 0.585177 TIMING: 37400 CPU: 117.851, 0.00311053/step Wall: 117.851, 0.00311053/step, 4.28787 hours remaining, 224.781250 MB of memory in use. ENERGY: 37400 4034.6038 20541.5259 14385.2808 244.1610 -203347.8487 3067.8669 0.0000 0.0000 52213.9145 -108860.4957 300.0741 -161074.4102 -108490.4571 300.6351 58.9247 84.1972 764519.6172 9.5251 9.4685 PRESSURE: 37600 -165.13 96.6162 -75.0707 96.6167 121.621 39.9717 -75.0705 39.9707 -101.581 GPRESSURE: 37600 -125.635 55.6364 -54.1541 21.1127 166.897 41.4823 52.0628 237.994 -82.931 PRESSAVG: 37600 -18.611 15.2062 10.6329 15.2062 19.5924 -2.42196 10.6329 -2.42199 18.7611 GPRESSAVG: 37600 -18.5179 14.9954 9.80304 17.5235 19.0491 -0.162197 14.0323 -4.69253 19.0249 TIMING: 37600 CPU: 118.477, 0.00312749/step Wall: 118.477, 0.00312749/step, 4.31107 hours remaining, 224.781250 MB of memory in use. ENERGY: 37600 3957.1592 20552.0269 14384.9975 275.5209 -202849.7670 2658.4372 0.0000 0.0000 52110.3000 -108911.3253 299.4786 -161021.6253 -108551.8067 299.9379 -48.3631 -13.8897 762185.7537 6.5808 6.5187 PRESSURE: 37800 349.82 42.3011 50.004 42.3011 -386.465 -25.7793 50.0045 -25.7777 104.131 GPRESSURE: 37800 251.63 -65.2411 187.749 -1.4333 -273.043 117.241 -48.8463 -68.5005 184.708 PRESSAVG: 37800 41.3061 7.93968 -21.913 7.93965 -29.1032 -2.19804 -21.9131 -2.198 19.3365 GPRESSAVG: 37800 40.0736 7.75885 -20.8353 7.11625 -27.4915 -3.25461 -23.0947 1.10573 19.7662 TIMING: 37800 CPU: 119.104, 0.00313493/step Wall: 119.104, 0.00313493/step, 4.32115 hours remaining, 224.781250 MB of memory in use. ENERGY: 37800 3951.5730 20689.7558 14426.6770 231.4590 -203538.5844 2894.1031 0.0000 0.0000 52282.6872 -109062.3294 300.4693 -161345.0166 -108700.4266 300.0763 22.4954 54.4317 761540.8811 10.5132 10.7827 PRESSURE: 38000 -348.514 35.1003 200.804 35.1009 -386.352 46.0999 200.806 46.1003 -229.773 GPRESSURE: 38000 -342.133 78.5367 154.269 -77.6857 -290.895 54.7364 14.6503 62.5671 -236.999 PRESSAVG: 38000 38.4062 3.91695 -12.1925 3.91699 -12.1796 3.37756 -12.1925 3.37748 13.7973 GPRESSAVG: 38000 38.7946 2.05085 -14.5709 3.53357 -12.8402 1.50959 -11.33 2.46522 13.7442 TIMING: 38000 CPU: 119.736, 0.00316003/step Wall: 119.736, 0.00316003/step, 4.35557 hours remaining, 224.781250 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: 38000 4110.9378 20715.5325 14425.9050 254.0946 -203010.0702 2315.3789 0.0000 0.0000 52097.5541 -109090.6673 299.4054 -161188.2214 -108733.1173 299.9659 -321.5463 -290.0088 762481.2010 13.3413 13.2329 PRESSURE: 38200 325.34 51.5663 42.5667 51.5664 171.195 206.789 42.5658 206.79 207.994 GPRESSURE: 38200 319.869 35.717 66.7858 53.1639 167.076 67.0527 30.5549 97.3322 306.207 PRESSAVG: 38200 18.8468 -5.22456 -7.23826 -5.22457 19.626 -1.01905 -7.23826 -1.01905 -10.7009 GPRESSAVG: 38200 19.3265 -2.86274 -6.03768 -5.78611 18.5883 0.361187 -9.02566 -2.82647 -10.32 TIMING: 38200 CPU: 120.358, 0.00311268/step Wall: 120.358, 0.00311268/step, 4.29014 hours remaining, 224.781250 MB of memory in use. ENERGY: 38200 3957.3642 20611.2830 14418.7134 228.7008 -203396.2494 2711.9175 0.0000 0.0000 52227.2051 -109241.0655 300.1505 -161468.2706 -108883.4762 300.2816 234.8431 264.3840 761770.2289 9.2573 9.1983 PRESSURE: 38400 -3.46991 226.957 -146.708 226.957 75.394 191.502 -146.707 191.502 362.472 GPRESSURE: 38400 -10.6607 226.566 -173.7 231.154 141.887 181.392 -32.0797 224.721 384.65 PRESSAVG: 38400 -19.7617 -60.5653 -31.8417 -60.5653 33.7079 -9.62975 -31.8417 -9.62964 -19.3512 GPRESSAVG: 38400 -19.9764 -61.0411 -32.5854 -60.7647 33.7659 -10.405 -30.8661 -10.3084 -19.2438 TIMING: 38400 CPU: 120.988, 0.00314976/step Wall: 120.988, 0.00314976/step, 4.34106 hours remaining, 224.781250 MB of memory in use. ENERGY: 38400 4016.2835 20466.7436 14398.5471 251.4080 -203138.8638 2601.9317 0.0000 0.0000 52071.9014 -109332.0486 299.2579 -161403.9500 -108968.8570 299.0857 144.7987 171.9586 760713.4271 -1.8017 -1.8181 PRESSURE: 38600 469.675 57.4318 7.4466 57.4314 95.4025 -187.324 7.44613 -187.324 -503.615 GPRESSURE: 38600 461.275 -7.5472 89.9818 116.409 142.935 -181.082 -199.15 -116.453 -464.809 PRESSAVG: 38600 -29.5796 27.0667 44.0242 27.0667 17.6909 1.93853 44.0241 1.93848 -5.04554 GPRESSAVG: 38600 -30.1891 27.4718 45.8996 27.8051 17.3492 2.33773 43.0679 3.98132 -4.59097 TIMING: 38600 CPU: 121.621, 0.00316356/step Wall: 121.621, 0.00316356/step, 4.35992 hours remaining, 224.792969 MB of memory in use. ENERGY: 38600 4037.4309 20554.9879 14371.8084 232.1371 -203477.9812 2818.8533 0.0000 0.0000 52122.8904 -109339.8732 299.5510 -161462.7636 -108973.1466 299.1068 20.4875 46.4672 760905.2440 -5.6447 -5.8103 PRESSURE: 38800 -8.17577 -139.6 -58.5204 -139.6 137.529 110.803 -58.5203 110.804 227.825 GPRESSURE: 38800 -36.0225 -206.812 9.2479 -34.1528 192.174 150.532 -2.56473 -25.4518 285.084 PRESSAVG: 38800 -10.9232 -28.0999 -22.4368 -28.0999 -22.7699 22.6616 -22.4368 22.6616 1.25024 GPRESSAVG: 38800 -10.2314 -29.2128 -24.9181 -26.8672 -21.8026 21.7378 -21.3713 21.0228 -0.265235 TIMING: 38800 CPU: 122.251, 0.00315123/step Wall: 122.251, 0.00315123/step, 4.34274 hours remaining, 224.824219 MB of memory in use. ENERGY: 38800 4046.4169 20541.1949 14402.9885 238.5883 -203267.7368 2650.1548 0.0000 0.0000 52164.0619 -109224.3314 299.7876 -161388.3934 -108862.4861 299.0150 119.0592 147.0785 760939.4832 -10.8143 -10.7664 PRESSURE: 39000 -464.268 -20.1947 -150.437 -20.1952 -181.909 81.294 -150.437 81.2955 -187.67 GPRESSURE: 39000 -351.888 -93.2419 -149.985 -89.8807 -177.338 105.818 -92.9832 82.4561 -211.485 PRESSAVG: 39000 -12.9144 1.92911 -0.265104 1.92923 0.75229 3.10954 -0.264999 3.10959 -0.634948 GPRESSAVG: 39000 -11.7292 0.311564 0.311646 2.47574 -0.75388 4.189 -0.951223 3.40128 -0.341385 TIMING: 39000 CPU: 122.883, 0.00315725/step Wall: 122.883, 0.00315725/step, 4.35086 hours remaining, 224.824219 MB of memory in use. ENERGY: 39000 4031.8618 20507.6844 14447.9637 246.4298 -203087.0873 2309.5476 0.0000 0.0000 52261.7889 -109281.8112 300.3492 -161543.6002 -108915.5085 299.4147 -277.9490 -246.9037 760639.5823 -4.2657 -4.2748 PRESSURE: 39200 111.535 -110.787 118.235 -110.787 -347.16 -102.376 118.234 -102.376 86.5496 GPRESSURE: 39200 99.8625 -119.338 91.1476 -139.56 -250.624 -89.8603 45.1219 36.0793 108.036 PRESSAVG: 39200 23.2019 -1.11661 -34.4795 -1.11661 2.06137 -4.81602 -34.4795 -4.81605 0.942127 GPRESSAVG: 39200 21.9814 1.72281 -33.8721 -2.60134 2.97407 -3.59559 -33.9543 -4.218 1.5898 TIMING: 39200 CPU: 123.51, 0.00313634/step Wall: 123.51, 0.00313634/step, 4.32187 hours remaining, 224.824219 MB of memory in use. ENERGY: 39200 4016.3609 20532.4521 14451.0014 281.3642 -203476.2888 2763.5088 0.0000 0.0000 52117.7072 -109313.8941 299.5212 -161431.6014 -108948.8296 299.6417 -49.6920 -14.2419 761677.8191 8.7351 8.8484 PRESSURE: 39400 367.663 -165.252 -28.709 -165.253 301.071 -116.628 -28.7091 -116.627 472.022 GPRESSURE: 39400 418.667 -157.996 -53.3179 -286.804 232.429 -185.319 22.0954 -47.5366 579.154 PRESSAVG: 39400 1.84164 -14.3962 -12.5289 -14.3961 -38.8268 36.9827 -12.5288 36.9828 -2.13894 GPRESSAVG: 39400 2.36541 -15.3702 -13.8132 -14.0207 -39.5875 35.6894 -13.4352 38.409 -2.38358 TIMING: 39400 CPU: 124.138, 0.00313857/step Wall: 124.138, 0.00313857/step, 4.32478 hours remaining, 224.824219 MB of memory in use. ENERGY: 39400 4006.4152 20670.7670 14324.8779 250.4652 -203793.8438 3145.9051 0.0000 0.0000 52384.5787 -109010.8348 301.0549 -161395.4134 -108649.5599 300.0389 380.2521 410.0833 762087.3729 -13.0414 -13.2019 PRESSURE: 39600 80.9858 97.6039 -284.418 97.6036 293.499 54.6648 -284.418 54.6652 311.104 GPRESSURE: 39600 115.95 57.2288 -181.421 113.288 244.179 30.9913 -226.791 155.646 408.538 PRESSAVG: 39600 48.9644 -18.5546 2.17052 -18.5547 -50.508 32.4598 2.17049 32.4599 20.2077 GPRESSAVG: 39600 47.5448 -17.4025 5.38503 -19.5122 -49.6477 33.0254 1.60543 31.177 21.0873 TIMING: 39600 CPU: 124.762, 0.00312345/step Wall: 124.762, 0.00312345/step, 4.30377 hours remaining, 224.824219 MB of memory in use. ENERGY: 39600 4028.8387 20531.8802 14411.1819 242.1326 -203760.2933 3182.9116 0.0000 0.0000 52410.6294 -108952.7189 301.2046 -161363.3483 -108594.7115 300.2633 228.5296 256.2221 760561.4446 6.2213 6.3281 PRESSURE: 39800 -169.926 4.53772 81.1485 4.53771 -383.272 61.4037 81.1493 61.4049 170.109 GPRESSURE: 39800 -156.203 185.412 -49.9656 -40.3605 -319.474 119.555 161.317 23.9982 163.891 PRESSAVG: 39800 29.5908 -57.3804 27.885 -57.3804 0.427768 -10.0802 27.885 -10.0802 -9.73597 GPRESSAVG: 39800 30.3192 -58.8117 26.2073 -57.1501 -0.529117 -10.4416 27.1292 -9.71929 -9.27977 TIMING: 39800 CPU: 125.386, 0.00311994/step Wall: 125.386, 0.00311994/step, 4.29875 hours remaining, 224.824219 MB of memory in use. ENERGY: 39800 4079.7554 20585.5968 14440.0699 264.8707 -203199.3905 2713.4386 0.0000 0.0000 52366.1815 -108749.4775 300.9492 -161115.6590 -108388.7230 300.5809 -127.6966 -103.9284 764684.9285 6.7609 6.8368 PRESSURE: 40000 -344.635 25.6088 219.037 25.6089 324.151 -86.9791 219.037 -86.9788 62.6755 GPRESSURE: 40000 -210.893 -18.3096 325.628 -82.1884 210.402 -94.9906 93.0484 95.12 121.337 PRESSAVG: 40000 -20.325 13.6967 21.5088 13.6967 -14.1265 -37.4015 21.5089 -37.4015 4.45446 GPRESSAVG: 40000 -20.3263 12.6945 21.6651 17.2676 -13.6367 -37.2285 23.5687 -37.4496 4.28772 TIMING: 40000 CPU: 126.009, 0.00311181/step Wall: 126.009, 0.00311181/step, 4.28738 hours remaining, 224.824219 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: 40000 4029.6358 20580.4258 14412.5924 239.4908 -203319.2245 2830.0675 0.0000 0.0000 52379.1984 -108847.8138 301.0240 -161227.0122 -108484.3018 300.3708 14.0640 40.2819 763074.1434 -9.9990 -9.8918 PRESSURE: 40200 -12.458 -124.63 -132.194 -124.63 -109.842 113.936 -132.194 113.936 294.625 GPRESSURE: 40200 119.171 -44.4828 -143.977 -168.784 -82.3077 6.60073 42.0907 45.8925 227.984 PRESSAVG: 40200 -29.8282 -12.7469 -13.8397 -12.747 1.30774 14.0713 -13.8397 14.0713 5.10998 GPRESSAVG: 40200 -29.1907 -11.9364 -12.162 -15.6783 1.22951 12.6466 -14.8637 13.26 4.63568 TIMING: 40200 CPU: 126.634, 0.00312501/step Wall: 126.634, 0.00312501/step, 4.30539 hours remaining, 224.824219 MB of memory in use. ENERGY: 40200 3983.6852 20623.3338 14333.8528 245.0620 -202890.0897 2397.0580 0.0000 0.0000 52301.1301 -109005.9679 300.5753 -161307.0979 -108635.9434 300.3209 57.4415 88.2826 763497.0805 -7.8035 -7.7752 LDB: ============= START OF LOAD BALANCING ============== 139.164 LDB: ============== END OF LOAD BALANCING =============== 139.164 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 139.166 LDB: ============= START OF LOAD BALANCING ============== 139.481 LDB: Largest compute 7028 load 0.030568 is 15.7% of average load 0.194676 LDB: Average compute 0.004367 is 2.2% of average load 0.194676 LDB: TIME 139.484 LOAD: AVG 0.194676 MAX 0.217818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 221.922 MB LDB: TIME 139.485 LOAD: AVG 0.194676 MAX 0.217818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222 MB LDB: TIME 139.485 LOAD: AVG 0.194676 MAX 0.216647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 222 MB LDB: ============== END OF LOAD BALANCING =============== 139.487 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 139.491 PRESSURE: 40400 -587.087 -13.9749 51.7056 -13.9749 -725.325 224.959 51.7055 224.96 -266.577 GPRESSURE: 40400 -575.39 -48.6161 118.598 39.4694 -616.136 338.791 61.3863 249.115 -287.567 PRESSAVG: 40400 -52.8722 6.04578 -7.53708 6.04575 -3.27068 40.0951 -7.53706 40.0951 27.135 GPRESSAVG: 40400 -52.7622 7.48212 -8.57425 7.0187 -2.46535 41.6167 -5.98087 41.6496 26.2851 TIMING: 40400 CPU: 127.275, 0.00320537/step Wall: 127.275, 0.00320537/step, 4.41593 hours remaining, 223.976562 MB of memory in use. ENERGY: 40400 3967.3934 20657.4206 14367.9990 249.1831 -203133.1545 2434.0495 0.0000 0.0000 52631.4755 -108825.6334 302.4738 -161457.1089 -108474.1821 300.5929 -526.3298 -493.0309 763537.1938 -9.6693 -9.6475 PRESSURE: 40600 -141.426 -97.0272 96.9579 -97.0263 152.481 -34.8733 96.9574 -34.8713 138.807 GPRESSURE: 40600 -113.707 -174.819 250.526 -139.196 221.036 -17.0121 68.1718 23.3083 108.896 PRESSAVG: 40600 -14.9856 -27.7702 30.0403 -27.7702 -33.51 9.79912 30.0402 9.79915 -18.393 GPRESSAVG: 40600 -15.6669 -29.2426 30.2761 -28.8765 -33.6301 9.03158 28.9009 11.0625 -17.9228 TIMING: 40600 CPU: 127.901, 0.00312984/step Wall: 127.901, 0.00312984/step, 4.3117 hours remaining, 224.042969 MB of memory in use. ENERGY: 40600 3971.6402 20656.8639 14347.6862 249.5219 -203121.9669 2948.8921 0.0000 0.0000 52149.9137 -108797.4490 299.7063 -160947.3626 -108434.1281 300.8588 49.9538 72.0748 764777.5671 -22.2962 -22.4066 PRESSURE: 40800 76.7121 68.2996 -37.048 68.3001 89.5718 -77.9764 -37.0476 -77.9762 263.275 GPRESSURE: 40800 56.7559 -48.1 -58.6692 132.982 135.066 -70.5999 -22.6434 -31.4115 313.769 PRESSAVG: 40800 -0.37631 10.5221 9.91453 10.5221 17.2837 28.5345 9.91459 28.5344 3.10245 GPRESSAVG: 40800 -1.01588 12.4685 9.88804 10.0117 16.6667 27.705 8.94035 27.95 4.42366 TIMING: 40800 CPU: 128.524, 0.00311595/step Wall: 128.524, 0.00311595/step, 4.29239 hours remaining, 224.042969 MB of memory in use. ENERGY: 40800 3965.8390 20602.4681 14456.4397 265.6559 -203409.7206 2898.4938 0.0000 0.0000 52418.9645 -108801.8595 301.2525 -161220.8240 -108428.6100 300.9247 143.1863 168.5301 761945.7839 6.6700 6.6915 PRESSURE: 41000 -221.544 -87.5659 74.912 -87.565 -14.5502 17.4765 74.9118 17.475 110.739 GPRESSURE: 41000 -75.2206 -232.374 52.0551 -111.527 29.4462 18.1563 -84.394 63.9808 32.42 PRESSAVG: 41000 25.9743 6.31222 -3.69004 6.31224 -12.1112 -15.5915 -3.69001 -15.5915 -27.828 GPRESSAVG: 41000 26.5898 3.50927 -5.14972 6.18305 -10.7504 -14.211 -0.713419 -16.2021 -29.8216 TIMING: 41000 CPU: 129.15, 0.00312835/step Wall: 129.15, 0.00312835/step, 4.30931 hours remaining, 224.042969 MB of memory in use. ENERGY: 41000 3949.1332 20431.7462 14372.8356 250.9314 -202989.5115 2596.3678 0.0000 0.0000 52517.2008 -108871.2964 301.8171 -161388.4972 -108496.1928 300.4714 -41.7852 -4.4515 763836.5076 -4.6550 -4.6607 PRESSURE: 41200 195.822 35.5225 -15.6005 35.5225 72.2159 26.6424 -15.6003 26.6431 -160.092 GPRESSURE: 41200 163.675 49.277 -32.4589 -37.6526 118.617 68.8257 20.6649 -103.781 -76.2356 PRESSAVG: 41200 24.1811 -44.7162 -11.0529 -44.7162 21.0554 22.1431 -11.053 22.1431 1.56786 GPRESSAVG: 41200 24.4252 -43.6134 -9.55524 -45.7201 19.7069 22.3824 -12.4509 19.7827 2.67952 TIMING: 41200 CPU: 129.774, 0.00312417/step Wall: 129.774, 0.00312417/step, 4.30337 hours remaining, 224.042969 MB of memory in use. ENERGY: 41200 3963.6906 20610.8498 14392.8747 257.3664 -203354.4359 2937.6286 0.0000 0.0000 52131.3606 -109060.6651 299.5996 -161192.0257 -108702.0367 299.7965 35.9821 68.6854 763991.7547 15.6014 15.6039 PRESSURE: 41400 11.1139 -193.591 52.7502 -193.59 -311.068 -53.3 52.7503 -53.3011 -239.994 GPRESSURE: 41400 29.8646 -195.538 105.771 -216.036 -278.779 -63.8383 -7.26392 -80.5142 -218.858 PRESSAVG: 41400 33.8522 -35.5648 -27.411 -35.5647 -56.7726 64.3682 -27.411 64.3682 31.2401 GPRESSAVG: 41400 34.7291 -35.9861 -28.0667 -32.5553 -56.3439 62.931 -27.5404 65.2885 30.5691 TIMING: 41400 CPU: 130.398, 0.00311894/step Wall: 130.398, 0.00311894/step, 4.296 hours remaining, 224.042969 MB of memory in use. ENERGY: 41400 4043.3970 20584.6504 14425.2108 267.3620 -203156.5347 2626.5898 0.0000 0.0000 52105.3981 -109103.9267 299.4504 -161209.3248 -108744.6756 299.7199 -179.9826 -155.9240 764449.1778 2.7732 2.9848 PRESSURE: 41600 -444.067 -186.546 87.1665 -186.547 -363.685 118.625 87.1677 118.625 -22.0695 GPRESSURE: 41600 -333.068 -178.585 78.3167 -258.967 -365.48 66.9724 205.615 32.1086 -41.461 PRESSAVG: 41600 55.3378 -49.0685 16.0667 -49.0685 -34.5593 49.3044 16.0668 49.3043 24.4998 GPRESSAVG: 41600 54.228 -48.6409 15.6627 -52.1858 -34.5558 49.4562 16.4642 50.6967 25.665 TIMING: 41600 CPU: 131.022, 0.00312171/step Wall: 131.022, 0.00312171/step, 4.29964 hours remaining, 224.402344 MB of memory in use. ENERGY: 41600 4020.8203 20539.9312 14441.4309 264.8809 -203409.4917 2932.0278 0.0000 0.0000 52078.6152 -109131.7852 299.2965 -161210.4004 -108772.9528 299.5684 -276.6071 -246.6698 765035.7555 15.0928 15.1124 PRESSURE: 41800 221.01 -97.8937 -309.853 -97.8929 350.494 20.2328 -309.853 20.2332 31.7564 GPRESSURE: 41800 279.61 13.5943 -333.142 -27.7064 374.792 -12.7082 -191.454 14.3893 31.4136 PRESSAVG: 41800 15.7655 -2.59848 36.044 -2.59843 -51.4842 6.52508 36.044 6.52504 34.8748 GPRESSAVG: 41800 15.7534 -3.67297 36.5496 0.312661 -50.3919 7.9881 35.4914 5.17828 33.6937 TIMING: 41800 CPU: 131.648, 0.00312645/step Wall: 131.648, 0.00312644/step, 4.30598 hours remaining, 224.472656 MB of memory in use. ENERGY: 41800 3928.8039 20606.6240 14387.2339 262.0341 -203541.9996 3014.0010 0.0000 0.0000 52125.9794 -109217.3232 299.5687 -161343.3027 -108858.5380 299.4372 201.0868 228.6052 763017.5638 -0.2813 -0.3149 PRESSURE: 42000 67.5392 -101.844 -4.16662 -101.845 158.421 399.874 -4.16674 399.874 -378.306 GPRESSURE: 42000 59.7657 -33.3106 -39.6047 -95.6274 274.36 380.087 -9.71922 287.837 -402.925 PRESSAVG: 42000 67.0711 -41.4611 1.08291 -41.4611 -57.734 -9.97748 1.08286 -9.97747 14.0164 GPRESSAVG: 42000 67.3802 -41.5632 -0.408079 -42.2246 -58.3897 -9.83393 1.04524 -10.0721 13.9837 TIMING: 42000 CPU: 132.273, 0.00312856/step Wall: 132.273, 0.00312856/step, 4.30872 hours remaining, 224.511719 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: 42000 3996.6204 20467.0125 14421.9619 239.5743 -203575.4331 2974.3594 0.0000 0.0000 51957.9855 -109517.9189 298.6033 -161475.9045 -109158.8207 299.2344 -50.7819 -22.9331 762024.7801 7.7845 7.6581 PRESSURE: 42200 -68.4006 139.909 157.006 139.909 -401.421 -117.904 157.006 -117.902 -222.046 GPRESSURE: 42200 -44.1134 117.915 160.726 139.293 -314.114 -140.628 106.554 -109.921 -245.99 PRESSAVG: 42200 60.5499 -34.8938 15.0921 -34.8938 -110.416 -28.2614 15.0921 -28.2614 -14.4403 GPRESSAVG: 42200 61.5357 -32.0716 16.243 -38.1002 -110.876 -28.7297 13.4911 -27.618 -14.619 TIMING: 42200 CPU: 132.897, 0.00311628/step Wall: 132.897, 0.00311628/step, 4.29164 hours remaining, 224.523438 MB of memory in use. ENERGY: 42200 4045.8498 20445.9491 14482.3309 242.6850 -203501.6186 2669.5041 0.0000 0.0000 52159.3120 -109455.9878 299.7603 -161615.2998 -109087.2461 299.0938 -230.6223 -201.4057 763604.8517 -21.4354 -21.3199 PRESSURE: 42400 10.1425 218.061 -91.3085 218.061 -349.321 -127.089 -91.3089 -127.09 -508.923 GPRESSURE: 42400 44.3543 231.646 -100.965 144.386 -340.555 -104.1 -126.139 -150.628 -478.322 PRESSAVG: 42400 6.41986 36.098 -7.65132 36.0979 -1.29219 -27.2749 -7.65126 -27.2749 12.6573 GPRESSAVG: 42400 5.61797 32.8914 -7.34819 39.0962 -2.51273 -26.1061 -7.36119 -27.7365 13.3112 TIMING: 42400 CPU: 133.521, 0.00311889/step Wall: 133.521, 0.00311889/step, 4.29506 hours remaining, 224.523438 MB of memory in use. ENERGY: 42400 3910.3534 20505.8300 14352.4233 256.0391 -203131.1398 2478.9317 0.0000 0.0000 52279.2045 -109348.3578 300.4493 -161627.5623 -108975.2117 299.1808 -282.7007 -258.1743 763210.3220 5.9283 5.4722 PRESSURE: 42600 -479.367 -264.532 40.4135 -264.532 -211.754 -56.2871 40.413 -56.2879 -54.4304 GPRESSURE: 42600 -390.107 -258.137 88.1914 -214.271 -187.161 -13.1658 72.599 -125.618 -88.097 PRESSAVG: 42600 56.0135 17.0205 -25.4171 17.0204 -18.5858 5.28075 -25.4171 5.28069 0.365458 GPRESSAVG: 42600 56.1106 18.0609 -24.0901 15.472 -18.6573 4.6062 -24.6794 5.99892 0.819621 TIMING: 42600 CPU: 134.144, 0.00311662/step Wall: 134.144, 0.00311662/step, 4.29175 hours remaining, 224.542969 MB of memory in use. ENERGY: 42600 3978.7232 20305.1324 14467.4755 252.9873 -203324.9917 2765.7777 0.0000 0.0000 51954.8765 -109600.0191 298.5854 -161554.8956 -109237.7142 299.0941 -248.5170 -221.7884 762786.7891 12.5977 12.7576 PRESSURE: 42800 94.1758 -25.9751 228.285 -25.9751 291.014 -114.611 228.284 -114.612 -20.7691 GPRESSURE: 42800 162.832 33.0995 111.089 -60.3094 286.369 -69.9418 247.604 -33.8517 -5.07252 PRESSAVG: 42800 53.906 -17.6526 -18.891 -17.6527 0.741426 -10.1268 -18.8911 -10.1267 -18.5631 GPRESSAVG: 42800 53.8632 -16.9228 -19.9015 -16.9237 1.5945 -11.0307 -19.564 -10.6872 -19.0499 TIMING: 42800 CPU: 134.767, 0.00311749/step Wall: 134.767, 0.00311749/step, 4.29278 hours remaining, 224.546875 MB of memory in use. ENERGY: 42800 3943.0799 20510.5672 14476.0687 243.6778 -203759.9392 2942.3649 0.0000 0.0000 52142.8222 -109501.3584 299.6655 -161644.1806 -109134.7292 298.7040 121.4735 148.0428 762903.0584 12.0281 12.1359 PRESSURE: 43000 -490.311 234.978 -44.92 234.977 -291.179 95.7305 -44.9196 95.7296 -34.4502 GPRESSURE: 43000 -403.529 232.665 -33.0036 261.202 -269.137 124.724 -118.884 156.302 -50.3591 PRESSAVG: 43000 27.9709 0.771416 27.3028 0.771454 -15.5547 -17.2853 27.3028 -17.2854 21.4458 GPRESSAVG: 43000 28.8237 -0.935712 27.2059 3.09629 -16.6909 -16.3679 26.3223 -16.757 21.9805 TIMING: 43000 CPU: 135.395, 0.00313605/step Wall: 135.395, 0.00313605/step, 4.31816 hours remaining, 224.546875 MB of memory in use. ENERGY: 43000 4032.2829 20424.1436 14434.3300 258.4255 -203371.4301 2758.3571 0.0000 0.0000 52023.3636 -109440.5275 298.9790 -161463.8911 -109078.3502 299.1380 -271.9799 -241.0084 764861.7487 11.2873 11.3711 PRESSURE: 43200 -234.512 -211.764 -16.137 -211.764 -388.205 195.013 -16.1365 195.012 -314.029 GPRESSURE: 43200 -173.654 -98.2596 19.048 -185.572 -341.842 177.388 -111.467 173.181 -346.545 PRESSAVG: 43200 35.3706 21.5808 -40.4718 21.5808 -36.8491 27.6284 -40.4718 27.6284 22.1393 GPRESSAVG: 43200 33.0987 22.7454 -39.9413 20.7947 -34.589 28.127 -40.8992 26.5621 22.1928 TIMING: 43200 CPU: 136.023, 0.00314087/step Wall: 136.023, 0.00314087/step, 4.32462 hours remaining, 224.546875 MB of memory in use. ENERGY: 43200 4020.0444 20437.2306 14509.5849 245.0837 -203540.9153 2661.8942 0.0000 0.0000 52082.9399 -109584.1376 299.3214 -161667.0775 -109220.3170 298.7682 -312.2488 -287.3470 763423.9393 6.8869 6.9008 PRESSURE: 43400 -75.5694 -73.4327 71.9221 -73.433 129.993 41.386 71.922 41.3865 -85.6007 GPRESSURE: 43400 -18.1213 -87.4469 38.0725 -54.0939 204.914 98.9888 158.047 51.4583 -130.803 PRESSAVG: 43400 61.7268 -9.41299 -14.4143 -9.41302 -19.8737 49.6449 -14.4143 49.6449 20.3772 GPRESSAVG: 43400 62.9118 -10.9113 -16.6656 -9.86822 -21.161 48.1465 -11.8989 51.2562 20.8594 TIMING: 43400 CPU: 136.648, 0.00312497/step Wall: 136.648, 0.00312497/step, 4.30256 hours remaining, 224.554688 MB of memory in use. ENERGY: 43400 3982.0521 20531.6102 14380.5807 266.9241 -203530.8720 2786.3380 0.0000 0.0000 51949.3401 -109634.0268 298.5536 -161583.3669 -109285.0442 298.9279 -10.3922 18.6631 762344.5232 20.7434 20.8701 PRESSURE: 43600 349.732 -99.8563 209.882 -99.8564 29.0706 4.60664 209.882 4.60738 407.287 GPRESSURE: 43600 354.462 -74.3283 143.958 -79.2218 59.1976 11.1217 150.244 -132.681 452.438 PRESSAVG: 43600 36.718 -34.282 70.9233 -34.282 -24.1329 -57.705 70.9234 -57.7051 1.07246 GPRESSAVG: 43600 36.818 -32.2679 71.8407 -37.253 -23.5951 -57.0896 68.8494 -58.1524 0.239176 TIMING: 43600 CPU: 137.278, 0.00315146/step Wall: 137.278, 0.00315146/step, 4.33886 hours remaining, 224.593750 MB of memory in use. ENERGY: 43600 3989.2475 20648.6803 14388.3695 251.4599 -203341.0802 2917.1671 0.0000 0.0000 51709.9047 -109436.2512 297.1775 -161146.1559 -109079.4091 298.4023 262.0296 288.6995 760189.2934 4.5525 4.4873 PRESSURE: 43800 0.69632 -22.7878 -19.3791 -22.7871 75.4933 -31.4727 -19.3792 -31.4728 140.258 GPRESSURE: 43800 8.57314 -101.467 64.0829 -51.6731 129.126 -143.681 45.6319 48.636 161.172 PRESSAVG: 43800 -3.04862 -33.8047 -14.2109 -33.8046 -25.4321 -35.9922 -14.211 -35.9922 6.29069 GPRESSAVG: 43800 -3.9399 -33.4209 -14.3871 -32.8543 -24.6384 -35.6692 -11.9427 -36.6689 6.33638 TIMING: 43800 CPU: 137.907, 0.00314603/step Wall: 137.907, 0.00314603/step, 4.3312 hours remaining, 224.597656 MB of memory in use. ENERGY: 43800 3970.2475 20581.6422 14437.5338 262.4519 -203311.4008 2622.5983 0.0000 0.0000 52178.9054 -109258.0216 299.8729 -161436.9270 -108889.1056 299.2582 72.1494 99.6236 762113.6357 -7.3967 -7.4140 PRESSURE: 44000 16.0619 -140.861 -11.9522 -140.861 -119.342 -263.899 -11.9511 -263.899 -183.854 GPRESSURE: 44000 28.0749 -197.705 -13.5575 -15.828 -97.1322 -239.119 -134.009 -213.305 -146.651 PRESSAVG: 44000 39.5763 16.5906 14.3218 16.5906 -64.3184 -1.06459 14.3218 -1.06461 8.53733 GPRESSAVG: 44000 39.7443 14.7746 14.5151 17.5127 -64.5016 -0.6582 13.5377 0.602708 8.9989 TIMING: 44000 CPU: 138.535, 0.00313813/step Wall: 138.535, 0.00313813/step, 4.32016 hours remaining, 224.597656 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: 44000 3978.4370 20619.2526 14460.1579 241.9216 -203317.6445 2589.4529 0.0000 0.0000 52096.8753 -109331.5472 299.4015 -161428.4225 -108966.7599 299.5513 -95.7117 -71.9027 761819.0148 -5.4016 -5.2528 PRESSURE: 44200 210.253 21.4339 -5.49039 21.433 -169.749 144.864 -5.49125 144.863 84.938 GPRESSURE: 44200 197.94 21.7218 79.1174 187.017 -136.701 126.894 146.651 224.647 143.443 PRESSAVG: 44200 29.707 -10.2892 -25.1967 -10.2893 -67.2891 -37.0742 -25.1966 -37.0742 -6.20104 GPRESSAVG: 44200 30.1105 -10.3303 -24.8104 -8.69343 -68.2255 -36.9075 -24.2652 -37.8188 -5.49768 TIMING: 44200 CPU: 139.165, 0.0031509/step Wall: 139.165, 0.0031509/step, 4.33757 hours remaining, 224.769531 MB of memory in use. ENERGY: 44200 4004.4471 20500.2171 14364.2248 260.5775 -203446.8186 2826.4950 0.0000 0.0000 52095.8500 -109395.0071 299.3956 -161490.8571 -109025.5100 299.4756 41.8139 68.2271 762587.9066 -14.5944 -14.5375 LDB: ============= START OF LOAD BALANCING ============== 151.695 LDB: ============== END OF LOAD BALANCING =============== 151.695 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 151.697 LDB: ============= START OF LOAD BALANCING ============== 152.012 LDB: Largest compute 7027 load 0.031085 is 16.0% of average load 0.194577 LDB: Average compute 0.004377 is 2.2% of average load 0.194577 LDB: TIME 152.015 LOAD: AVG 0.194577 MAX 0.215407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.023 MB LDB: TIME 152.016 LOAD: AVG 0.194577 MAX 0.215407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.023 MB LDB: TIME 152.016 LOAD: AVG 0.194577 MAX 0.215407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.023 MB LDB: ============== END OF LOAD BALANCING =============== 152.018 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 152.022 PRESSURE: 44400 156.087 -48.0168 236.119 -48.0165 84.1446 52.0785 236.119 52.0791 -123.225 GPRESSURE: 44400 186.509 -25.7888 234.807 -77.6405 34.3211 -37.7431 345.042 -104.537 -29.4731 PRESSAVG: 44400 53.3441 16.3792 62.379 16.3792 -74.8249 -18.7369 62.379 -18.7369 16.6122 GPRESSAVG: 44400 53.811 18.4319 63.3444 16.6198 -74.9642 -20.0197 62.529 -19.2129 16.4305 TIMING: 44400 CPU: 139.806, 0.00320336/step Wall: 139.806, 0.00320336/step, 4.4096 hours remaining, 222.734375 MB of memory in use. ENERGY: 44400 3994.9375 20595.0398 14378.1413 261.2040 -203748.5622 2947.0813 0.0000 0.0000 52144.2623 -109427.8960 299.6738 -161572.1583 -109060.8502 299.0942 39.0022 63.7856 761865.1545 -1.6229 -1.5742 PRESSURE: 44600 -44.2975 66.3581 143.873 66.3576 -162.357 61.3824 143.872 61.382 204.923 GPRESSURE: 44600 91.3648 5.84737 115.27 3.64407 -211.16 67.9355 198.482 -8.48405 201.844 PRESSAVG: 44600 33.3758 -3.80345 -16.1621 -3.8034 6.59468 -42.3388 -16.1621 -42.3387 6.54881 GPRESSAVG: 44600 34.4073 -4.73259 -19.0415 -5.68177 6.33593 -42.15 -16.7403 -43.0621 5.84462 TIMING: 44600 CPU: 140.437, 0.00315605/step Wall: 140.437, 0.00315605/step, 4.34431 hours remaining, 222.996094 MB of memory in use. ENERGY: 44600 3958.3210 20706.2395 14389.0333 252.5936 -203640.7409 2738.4231 0.0000 0.0000 52304.5168 -109291.6135 300.5948 -161596.1304 -108916.9926 299.3801 -0.5772 27.3494 762083.2273 15.5064 15.5293 PRESSURE: 44800 311.198 -163.317 -76.7528 -163.317 94.4951 34.2707 -76.752 34.2697 472.727 GPRESSURE: 44800 229.571 -25.1665 -21.7077 -153.467 146.517 47.7915 -128.177 169.074 578.194 PRESSAVG: 44800 24.5743 -27.8627 -13.9727 -27.8627 -59.2901 -29.8619 -13.9726 -29.862 25.4971 GPRESSAVG: 44800 23.1682 -28.0178 -13.5835 -26.5449 -58.3867 -29.8846 -13.1697 -30.1595 26.0114 TIMING: 44800 CPU: 141.062, 0.003126/step Wall: 141.062, 0.003126/step, 4.30276 hours remaining, 223.000000 MB of memory in use. ENERGY: 44800 3943.9764 20457.7696 14462.9006 244.6833 -203645.7375 2917.9685 0.0000 0.0000 52341.1039 -109277.3352 300.8050 -161618.4391 -108913.0828 299.6499 292.8065 318.0938 761005.5283 -3.0729 -3.0690 PRESSURE: 45000 -221.288 -253.622 -214.567 -253.623 -338.576 -234.868 -214.567 -234.867 -237.707 GPRESSURE: 45000 -197.491 -293.443 -280.754 -196.733 -306.295 -280.227 -106.966 -120.003 -206.866 PRESSAVG: 45000 -8.58457 -21.8041 9.5783 -21.8041 -3.0309 27.538 9.57831 27.538 -26.8393 GPRESSAVG: 45000 -8.73054 -21.5113 10.3162 -20.6376 -2.87331 28.8708 9.01173 26.6084 -26.6781 TIMING: 45000 CPU: 141.688, 0.00312904/step Wall: 141.688, 0.00312904/step, 4.30677 hours remaining, 223.234375 MB of memory in use. ENERGY: 45000 4070.1665 20590.0554 14437.7778 244.2244 -203344.7375 2751.2382 0.0000 0.0000 52165.5459 -109085.7293 299.7961 -161251.2752 -108713.3791 299.8343 -265.8571 -236.8843 762587.2477 -12.8183 -12.7606 PRESSURE: 45200 194.711 18.2055 -93.1476 18.2046 -44.4084 28.3936 -93.1472 28.3933 -372.943 GPRESSURE: 45200 180.471 -5.45749 -75.3529 -136.046 -4.796 15.2141 -40.1544 -19.8652 -324.288 PRESSAVG: 45200 53.3236 -18.9649 -48.2238 -18.965 -6.67076 -14.2663 -48.2238 -14.2663 -7.05373 GPRESSAVG: 45200 53.7542 -21.5118 -49.6816 -19.6011 -6.39087 -15.3881 -47.6257 -11.7343 -8.13759 TIMING: 45200 CPU: 142.312, 0.00311842/step Wall: 142.312, 0.00311842/step, 4.29198 hours remaining, 223.238281 MB of memory in use. ENERGY: 45200 3969.2743 20744.1426 14482.6196 241.5499 -203369.7487 2767.7202 0.0000 0.0000 52088.5334 -109075.9087 299.3535 -161164.4421 -108713.3554 299.8457 -74.2135 -49.5375 761667.2133 13.1997 13.0753 PRESSURE: 45400 -78.0531 -32.4009 19.923 -32.4008 -308.879 -186.06 19.9229 -186.062 367.351 GPRESSURE: 45400 -63.1772 76.4567 -14.6462 -14.0521 -279.263 -223.971 -10.2564 -102.081 406.365 PRESSAVG: 45400 -23.0833 13.1374 -6.28422 13.1374 28.9923 32.4897 -6.28422 32.4897 5.93256 GPRESSAVG: 45400 -23.8793 15.3699 -4.42237 11.3944 29.1137 31.2983 -5.64067 34.6066 6.45844 TIMING: 45400 CPU: 142.935, 0.00311847/step Wall: 142.935, 0.00311847/step, 4.29189 hours remaining, 223.238281 MB of memory in use. ENERGY: 45400 3955.1257 20624.3456 14386.2124 244.8248 -203377.4502 2717.3638 0.0000 0.0000 52225.6110 -109223.9670 300.1413 -161449.5779 -108852.4620 299.6379 -6.5271 21.3083 761541.1069 3.9472 3.8976 PRESSURE: 45600 -141.302 79.7926 65.0709 79.7923 -69.1692 -21.7976 65.0702 -21.7981 136.635 GPRESSURE: 45600 -240.2 35.4878 16.3595 -0.76066 31.3881 -29.8364 13.0089 -127.371 233.515 PRESSAVG: 45600 -61.0198 8.49719 -33.1781 8.49719 19.4931 -47.7301 -33.178 -47.7301 13.339 GPRESSAVG: 45600 -60.0086 7.52392 -33.7426 9.7104 19.8959 -47.1806 -35.0977 -51.8763 11.8683 TIMING: 45600 CPU: 143.558, 0.00311189/step Wall: 143.558, 0.00311189/step, 4.28266 hours remaining, 223.238281 MB of memory in use. ENERGY: 45600 4006.7462 20566.1856 14392.9917 242.5586 -203225.6271 2685.5523 0.0000 0.0000 51976.9719 -109354.6209 298.7124 -161331.5928 -108993.2222 299.5280 -24.6120 8.2342 761845.5323 -9.3959 -9.4148 PRESSURE: 45800 -134.001 38.6952 -93.3484 38.6959 -398.058 -18.9128 -93.3489 -18.9121 -527.708 GPRESSURE: 45800 -67.0648 -49.8912 41.8164 54.2205 -398.432 -10.64 -103.409 -25.3386 -500.658 PRESSAVG: 45800 -18.5779 48.1275 -31.7108 48.1275 19.3678 -11.0338 -31.7107 -11.0339 -15.2695 GPRESSAVG: 45800 -20.0456 46.5098 -30.7689 46.7401 17.884 -11.2234 -30.5931 -8.24479 -12.4436 TIMING: 45800 CPU: 144.18, 0.0031112/step Wall: 144.18, 0.0031112/step, 4.28152 hours remaining, 223.242188 MB of memory in use. ENERGY: 45800 3973.1724 20499.8646 14426.0952 242.2653 -202633.9590 2235.4626 0.0000 0.0000 51952.9380 -109304.1609 298.5742 -161257.0988 -108923.4231 299.1539 -353.2557 -322.0517 762572.4959 -4.8265 -4.8684 PRESSURE: 46000 -90.5403 6.21326 -223.239 6.21451 -341.946 53.7969 -223.239 53.7964 -297.269 GPRESSURE: 46000 -6.26399 60.8982 -265.145 -10.4221 -325.516 33.8416 -174.32 57.3063 -309.638 PRESSAVG: 46000 41.0113 16.5666 -81.8096 16.5666 -14.2064 -60.662 -81.8096 -60.662 -9.23794 GPRESSAVG: 46000 42.8838 19.7361 -82.9576 16.9901 -13.8299 -59.049 -82.6796 -62.5649 -11.952 TIMING: 46000 CPU: 144.805, 0.00312376/step Wall: 144.805, 0.00312376/step, 4.29864 hours remaining, 223.242188 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: 46000 4029.5035 20521.0850 14339.3802 251.4627 -202989.8180 2372.3427 0.0000 0.0000 51976.5111 -109499.5327 298.7097 -161476.0438 -109131.9711 299.0177 -243.2516 -213.8061 761242.5498 5.8557 5.7007 PRESSURE: 46200 -161.699 29.099 152.452 29.0984 -238.935 83.2939 152.452 83.2946 272.358 GPRESSURE: 46200 -70.6981 74.9436 108.832 103.634 -305.686 91.0339 113.395 1.42872 331.313 PRESSAVG: 46200 69.3998 3.27808 -6.38498 3.27813 -42.1642 -37.4531 -6.38492 -37.453 -29.9214 GPRESSAVG: 46200 68.5999 4.13589 -6.31971 1.85206 -42.038 -37.9755 -5.87079 -35.2748 -29.0832 TIMING: 46200 CPU: 145.428, 0.00311775/step Wall: 145.428, 0.00311775/step, 4.2902 hours remaining, 223.253906 MB of memory in use. ENERGY: 46200 3950.2841 20582.6486 14385.9884 228.1617 -203423.0229 2775.1623 0.0000 0.0000 52081.9880 -109418.7898 299.3159 -161500.7778 -109050.3492 298.8105 -42.7588 -15.0240 762018.7863 -0.8953 -0.8404 PRESSURE: 46400 132.487 -107.956 -160.739 -107.955 150.803 57.5193 -160.738 57.5198 -9.82926 GPRESSURE: 46400 121.972 -51.9288 -199.602 -29.9853 161.113 104.168 -24.1698 96.3721 70.3423 PRESSAVG: 46400 48.7176 4.45171 -17.2451 4.45174 -51.1795 -37.1105 -17.2452 -37.1104 -6.97494 GPRESSAVG: 46400 48.8202 3.32219 -16.454 6.79137 -51.0305 -36.5739 -15.4661 -39.4446 -7.08049 TIMING: 46400 CPU: 146.053, 0.00312582/step Wall: 146.053, 0.00312582/step, 4.30113 hours remaining, 223.253906 MB of memory in use. ENERGY: 46400 3994.8491 20608.9894 14392.6814 261.8176 -203537.0541 2906.2317 0.0000 0.0000 51970.3784 -109402.1065 298.6745 -161372.4849 -109043.0259 299.0270 91.1538 117.8094 764388.4763 -3.1456 -3.0969 PRESSURE: 46600 -573.823 -5.18984 -33.8325 -5.19028 62.1146 24.7578 -33.8324 24.757 -148.054 GPRESSURE: 46600 -451.529 -15.4666 14.4918 -2.90533 -35.1666 -4.5849 -47.9766 -52.0059 -108.347 PRESSAVG: 46600 47.6481 27.602 -10.4203 27.6019 -49.8764 -6.57193 -10.4203 -6.57187 -26.5584 GPRESSAVG: 46600 47.5932 26.9309 -11.9571 27.5676 -50.6062 -7.7188 -9.32397 -3.8417 -26.0285 TIMING: 46600 CPU: 146.68, 0.00313551/step Wall: 146.68, 0.00313551/step, 4.31429 hours remaining, 223.253906 MB of memory in use. ENERGY: 46600 3934.7568 20645.3074 14403.0375 239.7165 -203291.5203 2793.9126 0.0000 0.0000 52087.3240 -109187.4656 299.3466 -161274.7896 -108823.6125 299.3050 -219.9209 -198.3476 764177.0163 -9.5956 -9.6805 PRESSURE: 46800 170.293 -154.061 322.827 -154.059 -153.127 -126.68 322.826 -126.679 -342.28 GPRESSURE: 46800 203.569 -163.102 408.029 -190.953 -162.449 -200.081 277.008 -181.126 -295.085 PRESSAVG: 46800 3.26669 26.2564 -14.5204 26.2564 -0.104356 -34.7358 -14.5205 -34.7358 18.1891 GPRESSAVG: 46800 3.22963 27.1242 -13.6832 23.7787 0.705508 -34.5616 -16.8648 -38.6805 17.258 TIMING: 46800 CPU: 147.306, 0.00312746/step Wall: 147.306, 0.00312746/step, 4.30304 hours remaining, 223.253906 MB of memory in use. ENERGY: 46800 3979.0543 20802.8765 14398.8465 259.0406 -203228.1182 2760.2749 0.0000 0.0000 51882.4362 -109145.5892 298.1691 -161028.0254 -108794.4566 299.9604 -108.3714 -84.6549 763279.0473 7.1171 7.0644 PRESSURE: 47000 -145.474 -262.65 58.4654 -262.65 -132.586 225.984 58.4649 225.985 274.775 GPRESSURE: 47000 -36.3805 -242.576 55.0767 -220.817 -180.152 205.589 -39.6664 285.884 296.13 PRESSAVG: 47000 21.4474 -48.3391 28.2934 -48.3391 11.9349 1.49865 28.2933 1.49871 -11.2393 GPRESSAVG: 47000 21.4099 -49.1635 28.4957 -46.2515 11.3701 0.743171 30.1485 3.41621 -10.753 TIMING: 47000 CPU: 147.933, 0.00313315/step Wall: 147.933, 0.00313315/step, 4.31069 hours remaining, 223.253906 MB of memory in use. ENERGY: 47000 4073.9937 20259.4198 14304.3395 246.9911 -203290.4979 2826.0531 0.0000 0.0000 52290.7569 -109288.9438 300.5157 -161579.7007 -108911.9452 299.3132 -1.0949 26.5325 763106.3321 7.3810 7.3424 PRESSURE: 47200 440.931 -110.473 1.51465 -110.474 -395.278 -195.222 1.51394 -195.222 340.81 GPRESSURE: 47200 425.718 -51.1385 -41.7792 -30.8612 -334.321 -231.899 11.7786 -234.766 392.758 PRESSAVG: 47200 0.752368 -44.1547 55.5635 -44.1548 2.22819 -30.2869 55.5635 -30.2869 4.53311 GPRESSAVG: 47200 -0.157531 -42.7077 56.6996 -45.5622 1.57411 -30.3237 54.1902 -29.8711 6.06449 TIMING: 47200 CPU: 148.558, 0.00312798/step Wall: 148.558, 0.00312798/step, 4.3034 hours remaining, 223.238281 MB of memory in use. ENERGY: 47200 4022.4122 20512.8500 14327.3742 245.6454 -203936.4486 3247.4374 0.0000 0.0000 52246.2505 -109334.4788 300.2599 -161580.7293 -108973.3688 299.0730 128.8207 161.3848 761718.2446 2.5046 2.4937 PRESSURE: 47400 -5.36797 -86.3239 145.422 -86.3233 -95.3069 -144.776 145.422 -144.778 114.983 GPRESSURE: 47400 26.603 -3.66027 136.706 -145.284 19.6335 -114.882 86.2178 -105.233 63.0641 PRESSAVG: 47400 10.3976 -8.88708 22.1532 -8.88702 13.665 19.9587 22.1532 19.9586 23.4029 GPRESSAVG: 47400 11.0191 -10.2317 21.4509 -8.17836 15.1621 21.6905 20.9528 20.0042 21.0766 TIMING: 47400 CPU: 149.188, 0.00314908/step Wall: 149.188, 0.00314908/step, 4.33227 hours remaining, 223.238281 MB of memory in use. ENERGY: 47400 4031.9624 20497.9928 14438.5853 247.0928 -203518.6791 2990.9937 0.0000 0.0000 51811.3167 -109500.7354 297.7603 -161312.0521 -109146.0865 298.9218 4.7693 36.4335 764589.6518 15.8219 15.7526 PRESSURE: 47600 -8.00023 -108.181 -92.8592 -108.182 28.0169 -137.973 -92.8587 -137.974 101.972 GPRESSURE: 47600 -58.444 -65.5589 -109.574 -149.753 71.4817 -86.4728 -171.611 -148.034 179.738 PRESSAVG: 47600 18.8315 -9.2483 5.24093 -9.24827 8.02301 -43.743 5.24088 -43.743 10.8002 GPRESSAVG: 47600 18.4086 -8.87 6.11483 -7.25247 6.94081 -45.2223 4.55608 -44.3228 12.0781 TIMING: 47600 CPU: 149.811, 0.00311486/step Wall: 149.811, 0.00311486/step, 4.28501 hours remaining, 223.253906 MB of memory in use. ENERGY: 47600 3920.7076 20587.2929 14378.1369 251.4509 -203512.7379 2868.0976 0.0000 0.0000 51904.7021 -109602.3501 298.2970 -161507.0522 -109234.4410 298.7178 40.6628 64.2587 762091.9197 12.5516 12.4758 PRESSURE: 47800 -49.7549 -49.0256 -141.48 -49.026 509.232 121.093 -141.48 121.093 230.211 GPRESSURE: 47800 77.1573 -56.6835 -102.036 -89.7626 469.711 164.954 -143.986 149.74 211.832 PRESSAVG: 47800 -0.330114 -24.4883 6.75193 -24.4883 -12.9821 -70.4622 6.75193 -70.4622 4.48095 GPRESSAVG: 47800 -0.314396 -23.4741 5.36465 -26.7271 -12.2147 -69.9462 8.4136 -71.7338 3.32222 TIMING: 47800 CPU: 150.439, 0.00313972/step Wall: 150.439, 0.00313972/step, 4.31904 hours remaining, 223.253906 MB of memory in use. ENERGY: 47800 3913.8748 20554.2580 14390.0906 241.2453 -203900.7172 3128.0491 0.0000 0.0000 52033.2550 -109639.9445 299.0358 -161673.1995 -109282.3939 298.2074 229.8960 252.9002 763876.8036 -2.9438 -3.0690 PRESSURE: 48000 33.2005 141.744 202.465 141.743 -8.85064 250.506 202.464 250.505 -25.1989 GPRESSURE: 48000 63.025 126.935 206.766 158.399 -5.94457 233.929 202.229 171.518 29.7043 PRESSAVG: 48000 -19.7139 7.97495 7.43366 7.97484 16.6692 53.9031 7.43365 53.903 -3.54401 GPRESSAVG: 48000 -18.6762 5.1344 7.70673 7.93815 15.3557 54.0342 7.83835 54.8216 -3.59053 TIMING: 48000 CPU: 151.062, 0.00311423/step Wall: 151.062, 0.00311423/step, 4.2838 hours remaining, 223.253906 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: 48000 3956.0445 20738.7065 14332.5152 241.3028 -203677.1358 2674.3519 0.0000 0.0000 52106.1098 -109628.1050 299.4545 -161734.2148 -109262.7261 298.2853 -0.2830 28.9282 762484.1392 -2.1962 -2.3037 PRESSURE: 48200 -45.4428 74.5519 170.631 74.5511 239.129 195.359 170.631 195.358 99.9747 GPRESSURE: 48200 36.8077 81.9117 136.44 86.6779 222.739 259.927 157.919 101.443 133.316 PRESSAVG: 48200 26.163 5.01773 33.2989 5.01769 -18.5218 38.8312 33.2989 38.8312 -5.4626 GPRESSAVG: 48200 24.5574 7.00468 34.5664 5.93476 -17.1516 38.5127 32.2988 36.5987 -4.26109 TIMING: 48200 CPU: 151.686, 0.00312105/step Wall: 151.686, 0.00312105/step, 4.29301 hours remaining, 223.253906 MB of memory in use. ENERGY: 48200 3929.4087 20715.3395 14342.5696 226.1692 -203341.2604 2878.7402 0.0000 0.0000 51789.3089 -109459.7244 297.6339 -161249.0333 -109105.0061 298.4725 97.8871 130.9543 762359.2908 0.7262 1.0482 LDB: ============= START OF LOAD BALANCING ============== 164.215 LDB: ============== END OF LOAD BALANCING =============== 164.215 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 164.217 LDB: ============= START OF LOAD BALANCING ============== 164.529 LDB: Largest compute 7057 load 0.030590 is 15.7% of average load 0.194685 LDB: Average compute 0.004358 is 2.2% of average load 0.194685 LDB: TIME 164.533 LOAD: AVG 0.194685 MAX 0.217527 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.031 MB LDB: TIME 164.534 LOAD: AVG 0.194685 MAX 0.217527 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.234 MB LDB: TIME 164.534 LOAD: AVG 0.194685 MAX 0.217073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.234 MB LDB: ============== END OF LOAD BALANCING =============== 164.536 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 164.541 PRESSURE: 48400 -23.4317 142.862 -299.366 142.862 -209.681 304.282 -299.367 304.282 329.797 GPRESSURE: 48400 27.0441 120.48 -395.895 329.633 -210.925 362.14 -112.128 69.2713 349.571 PRESSAVG: 48400 23.2432 -18.4785 -34.5988 -18.4784 -3.3571 -51.5741 -34.5989 -51.5741 -13.655 GPRESSAVG: 48400 24.6611 -19.3255 -35.0986 -18.2746 -3.14121 -51.0962 -34.9536 -50.4827 -15.11 TIMING: 48400 CPU: 152.324, 0.00318827/step Wall: 152.324, 0.00318828/step, 4.3853 hours remaining, 224.644531 MB of memory in use. ENERGY: 48400 3993.1167 20514.2298 14455.2219 246.4791 -203518.4286 2743.8465 0.0000 0.0000 51962.5639 -109602.9707 298.6296 -161565.5346 -109242.4635 299.0255 32.2280 55.2300 762793.3650 2.0770 2.1366 PRESSURE: 48600 247.929 19.5928 -70.3758 19.5932 -150.814 -71.4851 -70.3754 -71.4839 -239.714 GPRESSURE: 48600 238.762 93.31 9.04869 -102.57 -36.3863 -9.26728 -84.5343 -85.9614 -289.247 PRESSAVG: 48600 18.1993 0.359643 -15.3933 0.359698 -43.019 -7.68362 -15.3932 -7.68358 -1.53052 GPRESSAVG: 48600 17.9336 0.716124 -14.3894 -0.607534 -43.3249 -9.18054 -15.0521 -8.00972 -0.542704 TIMING: 48600 CPU: 152.946, 0.00311424/step Wall: 152.946, 0.00311424/step, 4.28329 hours remaining, 224.847656 MB of memory in use. ENERGY: 48600 4017.0029 20684.5530 14426.7305 235.8337 -203441.3674 2745.9416 0.0000 0.0000 51776.4297 -109554.8760 297.5599 -161331.3057 -109193.1959 298.7885 -47.5330 -28.9572 763462.8337 -8.7834 -8.6447 PRESSURE: 48800 -116.572 -108.856 144.657 -108.855 -601.935 90.0465 144.657 90.0459 -159.607 GPRESSURE: 48800 -116.131 -54.3468 147.935 -47.7764 -561.307 121.884 191.414 69.0746 -105.863 PRESSAVG: 48800 30.3777 14.0798 34.8655 14.0797 -26.23 -34.1093 34.8656 -34.1093 -21.7457 GPRESSAVG: 48800 30.2584 13.9218 34.243 15.1452 -26.1164 -32.6939 34.4192 -33.5633 -21.0338 TIMING: 48800 CPU: 153.572, 0.00312824/step Wall: 153.572, 0.00312824/step, 4.30237 hours remaining, 224.847656 MB of memory in use. ENERGY: 48800 3987.6654 20751.6263 14417.0078 237.9029 -203152.5539 2343.3962 0.0000 0.0000 51948.2213 -109466.7339 298.5471 -161414.9553 -109095.7836 299.0029 -292.7044 -261.1003 762997.1642 -5.8660 -5.6306 PRESSURE: 49000 -64.3908 67.6794 120.999 67.6789 -171.929 -27.4001 120.999 -27.4001 -45.5421 GPRESSURE: 49000 12.1998 98.0126 72.6655 -17.0261 -167.834 -119.647 155.604 -149.286 -50.0651 PRESSAVG: 49000 21.8844 54.5412 50.1436 54.5412 -1.04471 -21.0695 50.1436 -21.0695 16.0793 GPRESSAVG: 49000 22.2045 52.9311 49.4803 53.0675 -1.5443 -22.2956 50.8645 -21.8396 15.6618 TIMING: 49000 CPU: 154.196, 0.00312131/step Wall: 154.196, 0.00312131/step, 4.29267 hours remaining, 224.847656 MB of memory in use. ENERGY: 49000 3996.0121 20654.2731 14415.8434 237.3032 -203481.3750 2695.4753 0.0000 0.0000 52234.3477 -109248.1203 300.1915 -161482.4680 -108882.7279 299.5291 -93.9541 -68.5663 761887.7881 12.3063 12.1073 PRESSURE: 49200 171.615 -127.243 105.379 -127.243 143.66 96.8981 105.378 96.8995 -219.946 GPRESSURE: 49200 68.29 -102.599 39.1775 -44.1282 241.298 175.212 137.873 -23.8534 -134.608 PRESSAVG: 49200 -22.2418 42.7448 -10.4192 42.7448 -31.6699 6.12602 -10.4193 6.12603 -12.5015 GPRESSAVG: 49200 -22.5292 45.1867 -10.3653 42.9473 -32.9785 6.58185 -9.87709 7.13734 -10.9847 TIMING: 49200 CPU: 154.823, 0.00313136/step Wall: 154.823, 0.00313136/step, 4.30631 hours remaining, 224.847656 MB of memory in use. ENERGY: 49200 4053.1960 20493.1593 14365.5477 240.3755 -203395.8064 2734.9306 0.0000 0.0000 52402.4411 -109106.1562 301.1575 -161508.5973 -108736.9147 299.6389 31.7764 58.3268 762093.7958 -22.1377 -22.1642 PRESSURE: 49400 -146.255 -94.6713 -151.764 -94.6717 186.719 171.986 -151.764 171.984 301.382 GPRESSURE: 49400 -46.2903 20.8962 -74.6855 -137.892 227.051 186.447 -187.644 141.992 255.595 PRESSAVG: 49400 18.0924 -1.27241 -14.8084 -1.27248 14.027 -27.4997 -14.8084 -27.4998 -7.24777 GPRESSAVG: 49400 17.258 -0.654434 -15.5221 0.079272 14.7315 -26.8234 -14.5748 -28.8942 -7.36068 TIMING: 49400 CPU: 155.449, 0.00313343/step Wall: 155.449, 0.00313343/step, 4.30899 hours remaining, 224.847656 MB of memory in use. ENERGY: 49400 3963.5715 20637.6596 14332.8308 247.4729 -203468.7730 2721.3816 0.0000 0.0000 52225.6981 -109340.1585 300.1418 -161565.8566 -108983.1915 300.0200 113.9485 145.4519 760821.3938 8.2905 8.2096 PRESSURE: 49600 33.7405 44.5859 -61.1423 44.586 27.225 -190.507 -61.1424 -190.508 -188.753 GPRESSURE: 49600 100.401 22.787 -199.151 -38.2163 -26.9704 -250.405 48.2792 -147.704 -120.233 PRESSAVG: 49600 30.0607 -21.801 21.2122 -21.8011 -37.7606 -20.5556 21.2121 -20.5556 17.1712 GPRESSAVG: 49600 31.368 -22.5091 19.4304 -23.3103 -38.003 -21.6586 21.4378 -18.3826 15.9954 TIMING: 49600 CPU: 156.072, 0.0031148/step Wall: 156.072, 0.0031148/step, 4.2832 hours remaining, 224.847656 MB of memory in use. ENERGY: 49600 3924.4160 20671.5802 14418.5877 257.7375 -203487.8230 2637.5651 0.0000 0.0000 52157.5836 -109420.3529 299.7503 -161577.9364 -109055.7947 299.2644 -42.5958 -15.6008 761209.1461 3.1571 3.1201 PRESSURE: 49800 77.4126 -199.046 122.735 -199.045 -280.466 100.331 122.735 100.331 356.959 GPRESSURE: 49800 120.552 -96.6473 98.747 -196.33 -154.609 116.468 127.102 36.5187 277.802 PRESSAVG: 49800 -39.1736 -64.6544 -6.42404 -64.6545 13.7996 -16.0322 -6.42403 -16.0322 -10.548 GPRESSAVG: 49800 -40.5486 -67.2415 -3.83462 -63.2162 15.131 -15.0263 -6.98267 -18.837 -11.3809 TIMING: 49800 CPU: 156.695, 0.00311251/step Wall: 156.695, 0.00311251/step, 4.27987 hours remaining, 224.847656 MB of memory in use. ENERGY: 49800 3973.8485 20500.0010 14380.6641 255.0375 -203182.2120 2652.2622 0.0000 0.0000 52067.1658 -109353.2328 299.2307 -161420.3986 -108995.0015 299.2681 51.3016 81.2483 761602.2110 -11.9740 -12.2661 PRESSURE: 50000 -152.086 -87.9686 106.95 -87.9686 -27.5812 -45.7796 106.951 -45.7801 143.766 GPRESSURE: 50000 -124.975 -1.40594 32.0678 -136.953 -55.241 -105.429 103.683 -14.0104 231.956 PRESSAVG: 50000 24.9563 -42.8083 28.696 -42.8083 -40.92 16.5388 28.696 16.5388 31.2914 GPRESSAVG: 50000 24.7064 -41.983 28.478 -44.1401 -40.6782 16.3505 27.5817 17.2652 31.2712 TIMING: 50000 CPU: 157.318, 0.00311426/step Wall: 157.318, 0.00311426/step, 4.2821 hours remaining, 224.847656 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: 50000 3929.4479 20663.5267 14412.3799 254.3452 -203387.8699 2615.3356 0.0000 0.0000 52071.9140 -109440.9207 299.2580 -161512.8347 -109066.6975 299.4883 -11.9670 17.2468 762160.8417 5.1092 5.0998 PRESSURE: 50200 -34.2836 118.511 -144.227 118.51 -18.5199 -255.402 -144.226 -255.402 -293.265 GPRESSURE: 50200 -42.875 174.555 -50.4988 143.703 -5.54304 -252.671 -133.32 -403.025 -226.923 PRESSAVG: 50200 -23.7537 -4.19653 -19.6228 -4.19652 -26.2071 -61.8508 -19.6228 -61.8508 15.8041 GPRESSAVG: 50200 -22.6722 -4.01562 -19.1282 -4.27735 -28.2278 -62.3817 -19.4571 -61.1209 16.3189 TIMING: 50200 CPU: 157.942, 0.00312385/step Wall: 157.942, 0.00312385/step, 4.29512 hours remaining, 224.847656 MB of memory in use. ENERGY: 50200 4005.2967 20534.7763 14428.0069 234.5247 -203261.4907 2683.6354 0.0000 0.0000 51873.2848 -109501.9659 298.1165 -161375.2507 -109137.7439 298.8603 -115.3561 -91.7803 764698.9794 -11.3856 -11.5270 PRESSURE: 50400 -89.8878 -153.782 86.4796 -153.783 -65.7632 34.509 86.4792 34.5088 -4.39873 GPRESSURE: 50400 5.78892 -63.7213 99.2936 -86.3011 -73.8104 184.373 171.276 -15.6044 -18.7497 PRESSAVG: 50400 89.8854 -1.9116 22.0932 -1.91167 -36.3376 12.8474 22.0933 12.8474 -7.5857 GPRESSAVG: 50400 90.3186 -3.89612 21.8465 -1.56498 -34.7015 14.8509 21.612 12.5781 -9.76738 TIMING: 50400 CPU: 158.569, 0.0031327/step Wall: 158.569, 0.0031327/step, 4.30711 hours remaining, 224.847656 MB of memory in use. ENERGY: 50400 3981.3729 20544.4275 14403.1677 236.5221 -203403.3929 2573.9626 0.0000 0.0000 52154.3405 -109509.5996 299.7317 -161663.9401 -109147.6759 298.7145 -53.3499 -28.9237 762599.0665 15.3207 15.2832 PRESSURE: 50600 92.5833 140.743 90.4769 140.743 -62.8589 78.1553 90.4768 78.1545 49.5421 GPRESSURE: 50600 170.531 143.496 196.885 96.0415 -82.5872 -15.2905 -121.364 145.586 84.0661 PRESSAVG: 50600 12.4572 65.1093 -11.9216 65.1094 -17.3395 -3.67581 -11.9216 -3.67583 0.11201 GPRESSAVG: 50600 11.6622 67.5756 -11.4045 65.6749 -18.0831 -6.12257 -11.602 -2.1076 2.30633 TIMING: 50600 CPU: 159.194, 0.00312499/step Wall: 159.194, 0.00312499/step, 4.29635 hours remaining, 224.847656 MB of memory in use. ENERGY: 50600 4007.4080 20502.6984 14407.7973 262.2923 -203994.4436 3160.7539 0.0000 0.0000 52094.1205 -109559.3731 299.3856 -161653.4936 -109198.7309 298.6892 26.4222 57.3367 763556.8217 -1.5901 -1.3715 PRESSURE: 50800 11.1989 -206.881 -47.4633 -206.882 181.498 175.787 -47.4625 175.788 254.468 GPRESSURE: 50800 -41.9939 -257.908 13.9079 -127.264 266.898 123.385 -69.8115 144.348 281.034 PRESSAVG: 50800 -12.032 5.30777 8.14968 5.30772 16.0408 2.65101 8.14969 2.65093 -4.67292 GPRESSAVG: 50800 -12.9714 3.30602 8.02212 7.87236 17.2081 2.34695 9.34753 3.73333 -4.96182 TIMING: 50800 CPU: 159.823, 0.00314664/step Wall: 159.823, 0.00314664/step, 4.32593 hours remaining, 224.847656 MB of memory in use. ENERGY: 50800 3945.0633 20763.8158 14295.8212 238.7514 -203225.0718 2716.4492 0.0000 0.0000 51636.5493 -109628.6216 296.7560 -161265.1709 -109267.7662 298.2420 149.0548 168.6458 764960.8311 -0.2214 -0.2417 PRESSURE: 51000 28.5356 0.746344 -18.6197 0.747195 -29.8729 131.882 -18.6205 131.882 -260.92 GPRESSURE: 51000 79.8467 -26.2696 -83.7509 -13.3796 -86.0711 118.804 -13.7443 52.6557 -180.61 PRESSAVG: 51000 -16.0676 -46.3099 -15.9783 -46.3099 9.95107 -3.16805 -15.9782 -3.16805 9.03261 GPRESSAVG: 51000 -15.4734 -44.3277 -18.0363 -49.9922 8.77574 -2.55374 -16.162 -4.27289 9.2464 TIMING: 51000 CPU: 160.448, 0.00312533/step Wall: 160.448, 0.00312533/step, 4.29646 hours remaining, 224.847656 MB of memory in use. ENERGY: 51000 4012.8793 20612.7371 14415.5585 240.4707 -203879.1128 2832.5786 0.0000 0.0000 52107.8664 -109657.0221 299.4646 -161764.8885 -109304.4810 298.7398 -87.4191 -62.2782 762248.4895 0.9720 0.8496 PRESSURE: 51200 135.82 51.8937 123.872 51.8943 62.4712 -94.4845 123.872 -94.4847 50.9234 GPRESSURE: 51200 179.026 127.097 14.018 77.5198 101.738 -101.912 58.5321 -69.5927 43.9865 PRESSAVG: 51200 3.64383 -21.9666 17.8712 -21.9665 10.4718 -14.54 17.8711 -14.5399 -24.5125 GPRESSAVG: 51200 4.51738 -24.1632 19.4245 -20.8446 9.7647 -15.8314 17.4232 -15.9434 -23.9718 TIMING: 51200 CPU: 161.073, 0.00312309/step Wall: 161.073, 0.00312309/step, 4.2932 hours remaining, 224.847656 MB of memory in use. ENERGY: 51200 3960.1122 20500.9719 14467.6063 240.1573 -204016.6253 2969.7770 0.0000 0.0000 52000.2663 -109877.7343 298.8462 -161878.0005 -109510.8871 298.9912 83.0714 108.2501 761016.8117 -3.4656 -3.2299 PRESSURE: 51400 306.396 135.263 72.9826 135.263 244.627 -58.7068 72.9821 -58.7062 192.542 GPRESSURE: 51400 312.557 -5.67752 108.49 106.42 244.594 -10.9675 147.624 -99.5682 260.17 PRESSAVG: 51400 37.1034 15.3436 0.579049 15.3436 -32.1431 -0.150012 0.579055 -0.149873 13.8006 GPRESSAVG: 51400 37.5116 14.7639 0.159287 16.556 -31.8586 -0.531643 -0.231514 0.911205 12.8702 TIMING: 51400 CPU: 161.695, 0.00311167/step Wall: 161.695, 0.00311167/step, 4.27734 hours remaining, 224.847656 MB of memory in use. ENERGY: 51400 3897.9145 20636.4278 14356.9330 241.5094 -204044.9327 3152.3985 0.0000 0.0000 51956.9922 -109802.7574 298.5975 -161759.7496 -109450.5650 298.5626 247.8553 272.4404 762872.1220 6.2536 6.1744 PRESSURE: 51600 -148.761 81.1773 31.9849 81.1776 55.1632 119.087 31.986 119.086 114.58 GPRESSURE: 51600 -31.7776 133.702 54.2007 57.2929 -10.8011 134.235 34.6106 101.462 128.653 PRESSAVG: 51600 14.0609 13.4163 61.3605 13.4163 -48.5891 45.6169 61.3604 45.6168 -11.1244 GPRESSAVG: 51600 14.3172 15.2752 64.1679 11.3085 -49.3299 47.8289 59.9009 47.1879 -10.6676 TIMING: 51600 CPU: 162.321, 0.00312803/step Wall: 162.321, 0.00312803/step, 4.29966 hours remaining, 224.847656 MB of memory in use. ENERGY: 51600 4018.2554 20601.6838 14396.9120 257.5906 -203776.5653 2704.1430 0.0000 0.0000 51985.5873 -109812.3931 298.7619 -161797.9805 -109445.8927 298.7613 6.9942 28.6915 761423.7473 -15.2175 -15.2268 PRESSURE: 51800 -107.427 -52.1533 77.3171 -52.1548 -438.917 -3.78791 77.3175 -3.78781 -716.341 GPRESSURE: 51800 -69.4065 7.91307 11.2344 -73.3803 -396.997 27.1781 149.673 -32.375 -684.956 PRESSAVG: 51800 13.9006 28.453 -4.98689 28.4529 0.779063 -46.804 -4.9869 -46.8039 -4.7772 GPRESSAVG: 51800 13.6358 28.7748 -8.20556 29.5971 0.289302 -48.4991 -1.82281 -47.8409 -3.93216 TIMING: 51800 CPU: 162.944, 0.00311644/step Wall: 162.944, 0.00311644/step, 4.28354 hours remaining, 224.847656 MB of memory in use. ENERGY: 51800 4041.0191 20636.9731 14466.8377 239.3593 -203534.7334 2480.4936 0.0000 0.0000 52147.6391 -109522.4115 299.6932 -161670.0505 -109152.8228 298.9851 -420.8949 -383.7865 761413.7974 3.3008 3.3310 PRESSURE: 52000 -388.804 29.7046 45.64 29.7051 -64.024 -49.2598 45.6398 -49.2596 590.739 GPRESSURE: 52000 -301.096 -48.1843 88.6225 7.50941 -1.90969 -51.0135 -82.2296 -141.231 519.152 PRESSAVG: 52000 -20.8385 44.927 -8.62667 44.927 -22.106 -30.6431 -8.62675 -30.6431 23.6674 GPRESSAVG: 52000 -21.235 45.331 -7.50187 43.5858 -20.6117 -30.7192 -9.13416 -31.9858 22.6419 TIMING: 52000 CPU: 163.57, 0.00312793/step Wall: 163.57, 0.00312793/step, 4.29917 hours remaining, 224.847656 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: 52000 4006.2916 20508.2182 14435.9011 240.4512 -203634.0123 2862.3401 0.0000 0.0000 51993.8672 -109586.9429 298.8095 -161580.8101 -109217.0567 299.2410 45.9705 72.0487 761593.8089 -6.4257 -6.4016 PRESSURE: 52200 312.137 101.101 15.233 101.101 -472.838 241.569 15.2328 241.569 81.4652 GPRESSURE: 52200 292.017 -4.01085 -51.2232 -31.1363 -428.229 196.466 32.6417 254.604 148.775 PRESSAVG: 52200 63.2722 -4.57708 28.9723 -4.57713 -14.9463 17.0294 28.9723 17.0293 6.20129 GPRESSAVG: 52200 64.831 -4.3605 27.5778 -4.66387 -15.2121 18.4182 27.402 16.9565 5.0036 TIMING: 52200 CPU: 164.195, 0.00312663/step Wall: 164.195, 0.00312663/step, 4.2972 hours remaining, 224.847656 MB of memory in use. ENERGY: 52200 4086.2213 20489.7358 14385.7438 255.3568 -203597.2641 2779.0027 0.0000 0.0000 52086.6309 -109514.5728 299.3426 -161601.2037 -109155.3291 299.4255 -26.4120 4.1875 762082.7816 18.1757 18.2075 LDB: ============= START OF LOAD BALANCING ============== 176.726 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 176.726 LDB: =============== DONE WITH MIGRATION ================ 176.727 LDB: ============= START OF LOAD BALANCING ============== 177.042 LDB: Largest compute 7041 load 0.030200 is 15.5% of average load 0.194678 LDB: Average compute 0.004375 is 2.2% of average load 0.194678 LDB: TIME 177.046 LOAD: AVG 0.194678 MAX 0.217228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.102 MB LDB: TIME 177.046 LOAD: AVG 0.194678 MAX 0.217228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.305 MB LDB: TIME 177.046 LOAD: AVG 0.194678 MAX 0.217228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.305 MB LDB: ============== END OF LOAD BALANCING =============== 177.048 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 177.053 PRESSURE: 52400 -259.704 96.5029 217.233 96.5029 -91.2038 164.996 217.232 164.996 167.608 GPRESSURE: 52400 -228.91 73.375 175.635 93.4881 -46.0082 118.472 205.156 162.327 165.27 PRESSAVG: 52400 67.8743 -38.8495 40.267 -38.8495 -48.937 31.8935 40.2671 31.8934 10.8969 GPRESSAVG: 52400 67.4931 -38.9636 40.0083 -39.3031 -49.5116 30.1977 42.2884 33.6003 11.995 TIMING: 52400 CPU: 164.836, 0.00320522/step Wall: 164.836, 0.00320522/step, 4.40504 hours remaining, 223.875000 MB of memory in use. ENERGY: 52400 3917.0347 20644.5028 14393.3875 253.6318 -203816.1772 2803.6113 0.0000 0.0000 52329.8493 -109474.1598 300.7404 -161804.0091 -109098.2294 299.4517 -61.0996 -36.5493 763151.9595 9.9447 9.9922 PRESSURE: 52600 140.247 94.9948 -255.238 94.9941 -41.3727 -149.302 -255.238 -149.303 -70.8352 GPRESSURE: 52600 206.201 3.64358 -216.522 134.678 9.67575 -146.624 -188.714 -142.578 -117.931 PRESSAVG: 52600 -34.3634 -9.7103 30.9223 -9.71027 -20.4357 -4.16281 30.9223 -4.16293 6.27937 GPRESSAVG: 52600 -32.3835 -8.51968 35.021 -8.96212 -21.5958 -3.20149 28.4143 -6.1237 4.68559 TIMING: 52600 CPU: 165.463, 0.00313308/step Wall: 165.463, 0.00313308/step, 4.30572 hours remaining, 224.078125 MB of memory in use. ENERGY: 52600 4044.3323 20557.1807 14446.1585 238.5349 -203670.3818 2739.7121 0.0000 0.0000 52258.2827 -109386.1804 300.3291 -161644.4631 -109013.2469 299.4613 9.3463 32.6488 761168.7888 -16.1733 -16.4312 PRESSURE: 52800 -95.3747 41.2144 36.5112 41.2153 205.573 12.7093 36.512 12.7088 -87.9782 GPRESSURE: 52800 -74.8295 175.865 30.311 59.7876 222.367 -0.253061 104.528 18.2022 -18.4969 PRESSAVG: 52800 46.4186 2.52801 16.6843 2.528 -2.64546 -13.1485 16.6843 -13.1486 5.41603 GPRESSAVG: 52800 43.9605 1.51002 14.7181 2.91985 -1.1264 -13.6957 17.8968 -11.7414 6.07476 TIMING: 52800 CPU: 166.085, 0.00310945/step Wall: 166.085, 0.00310945/step, 4.27308 hours remaining, 224.078125 MB of memory in use. ENERGY: 52800 4039.0279 20706.1626 14438.1669 235.2395 -203674.5440 2600.8550 0.0000 0.0000 52314.6289 -109340.4633 300.6529 -161655.0922 -108975.0431 299.6289 7.4067 43.0134 760777.7516 16.3964 16.3029 PRESSURE: 53000 111.218 157.66 139.495 157.659 345.831 48.4094 139.495 48.4106 112.544 GPRESSURE: 53000 107.756 77.4805 90.3859 144.393 408.215 -3.096 80.761 4.49169 144.717 PRESSAVG: 53000 6.26112 -27.9341 -11.4266 -27.9342 3.45271 -3.32052 -11.4267 -3.32048 -4.58679 GPRESSAVG: 53000 6.29103 -27.833 -14.0966 -27.7094 2.69869 -3.35813 -12.5807 -4.35651 -3.56359 TIMING: 53000 CPU: 166.711, 0.00313237/step Wall: 166.711, 0.00313237/step, 4.3044 hours remaining, 224.078125 MB of memory in use. ENERGY: 53000 3969.8543 20670.5371 14346.0619 242.1020 -203378.6367 2754.5158 0.0000 0.0000 52145.6293 -109249.9363 299.6816 -161395.5656 -108892.8038 299.5720 189.8644 220.2293 762092.3405 1.7090 1.8087 PRESSURE: 53200 -199.967 54.8934 22.3373 54.8935 10.0305 -70.6458 22.3381 -70.6451 -276.933 GPRESSURE: 53200 -378.085 -38.0789 107.383 63.4012 169.785 -64.8849 149.241 30.6845 -200.291 PRESSAVG: 53200 34.35 30.4373 -22.6432 30.4372 -24.7141 -4.13437 -22.6432 -4.13435 6.50543 GPRESSAVG: 53200 33.9057 29.688 -21.2885 31.3411 -23.8559 -3.9487 -18.7988 -4.87235 5.7275 TIMING: 53200 CPU: 167.334, 0.00311366/step Wall: 167.334, 0.00311366/step, 4.27852 hours remaining, 224.078125 MB of memory in use. ENERGY: 53200 4018.2173 20772.3030 14396.1678 245.6991 -202970.3982 2446.3218 0.0000 0.0000 52018.2363 -109073.4529 298.9495 -161091.6892 -108712.4533 299.7973 -155.6233 -136.1969 763853.5061 5.3804 5.2591 PRESSURE: 53400 38.959 -227.378 -305.971 -227.377 18.1777 -85.4658 -305.97 -85.4658 -47.0071 GPRESSURE: 53400 72.8885 -100.225 -369.684 -166.364 27.5848 -114.009 -201.436 98.6425 -0.865981 PRESSAVG: 53400 -9.26275 32.114 11.4344 32.1139 -15.7165 -16.457 11.4343 -16.4569 13.2074 GPRESSAVG: 53400 -8.84648 33.9023 12.4909 31.8219 -16.4524 -17.1495 8.72729 -14.0163 13.5991 TIMING: 53400 CPU: 167.959, 0.00312413/step Wall: 167.959, 0.00312413/step, 4.29272 hours remaining, 224.078125 MB of memory in use. ENERGY: 53400 3983.2320 20487.0412 14392.8415 238.7874 -203184.6616 2599.0323 0.0000 0.0000 52189.3158 -109294.4114 299.9327 -161483.7271 -108917.6907 299.6806 3.3765 33.2024 761790.0761 -3.9239 -3.8999 PRESSURE: 53600 80.846 -36.1689 27.7283 -36.1682 265.742 -82.3937 27.7282 -82.3929 31.3026 GPRESSURE: 53600 112.299 -141.011 -20.515 47.4183 315.63 -99.1013 130.294 -149.17 40.5974 PRESSAVG: 53600 23.5741 -32.5733 -27.0451 -32.5733 -52.8191 -3.22395 -27.0451 -3.22395 -0.40564 GPRESSAVG: 53600 24.8021 -34.0445 -27.873 -32.4813 -53.4465 -1.75068 -26.9574 -3.65745 -1.06663 TIMING: 53600 CPU: 168.586, 0.00313448/step Wall: 168.586, 0.00313448/step, 4.30677 hours remaining, 224.078125 MB of memory in use. ENERGY: 53600 4080.8766 20493.4600 14432.9294 235.0313 -203834.4351 2896.2360 0.0000 0.0000 52127.8924 -109568.0095 299.5797 -161695.9018 -109201.6179 299.0659 125.9635 156.1755 761528.6990 -9.8835 -9.9037 PRESSURE: 53800 11.2463 -33.1586 -42.6493 -33.1583 249.046 66.6759 -42.6483 66.6754 147.894 GPRESSURE: 53800 -16.5631 -112.468 -26.3216 -30.4757 363.01 155.718 -120.474 -115.608 160.325 PRESSAVG: 53800 43.6542 0.874415 -11.0048 0.874364 -12.0285 24.5216 -11.0048 24.5216 -8.50946 GPRESSAVG: 53800 41.2209 1.73232 -10.2148 0.592753 -11.1357 23.3752 -9.62062 22.8584 -6.92612 TIMING: 53800 CPU: 169.213, 0.00313752/step Wall: 169.213, 0.00313752/step, 4.31077 hours remaining, 224.078125 MB of memory in use. ENERGY: 53800 4020.6589 20455.0088 14410.5222 259.5876 -203664.4299 3012.6881 0.0000 0.0000 52147.2601 -109358.7042 299.6910 -161505.9643 -109000.4950 299.3903 136.0622 168.9239 761158.4105 7.7054 7.7197 PRESSURE: 54000 -251.225 -94.327 123.762 -94.3267 102.077 1.93048 123.761 1.93108 -158.372 GPRESSURE: 54000 -204.597 -127.578 116.289 -89.4463 137.347 33.69 34.9762 -11.9191 -148.287 PRESSAVG: 54000 21.4537 -14.4829 -4.72001 -14.4828 -5.53346 -29.9086 -4.71994 -29.9087 6.61802 GPRESSAVG: 54000 23.1676 -13.8043 -5.73068 -17.4232 -5.99097 -30.2329 -5.03898 -30.1087 5.54156 TIMING: 54000 CPU: 169.844, 0.00315248/step Wall: 169.844, 0.00315248/step, 4.33115 hours remaining, 224.078125 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: 54000 3946.8839 20491.0023 14457.3366 235.4921 -203678.1572 2869.4807 0.0000 0.0000 52317.9786 -109359.9829 300.6721 -161677.9615 -109001.0892 299.2406 -102.5068 -71.8458 762987.5670 7.5128 7.5727 PRESSURE: 54200 -189.929 174.698 34.2462 174.698 -207.611 81.159 34.246 81.1592 480.285 GPRESSURE: 54200 -206.986 107.774 -87.662 116.802 -65.2536 11.8398 15.4971 88.9564 425.866 PRESSAVG: 54200 40.7688 -33.0903 12.72 -33.0903 -24.4009 -39.4621 12.7201 -39.4621 3.82456 GPRESSAVG: 54200 39.3481 -33.477 12.9085 -30.4072 -24.3494 -41.4662 13.4251 -37.3583 5.33413 TIMING: 54200 CPU: 170.469, 0.0031261/step Wall: 170.469, 0.0031261/step, 4.29475 hours remaining, 224.078125 MB of memory in use. ENERGY: 54200 4016.6731 20596.6953 14384.5183 243.9227 -203501.6960 2628.4662 0.0000 0.0000 52310.0939 -109321.3266 300.6268 -161631.4205 -108948.8062 299.4619 27.5819 51.2087 763401.8423 6.7308 6.7776 PRESSURE: 54400 -9.89216 47.3047 -192.85 47.3051 15.9589 -57.7252 -192.851 -57.7256 -179.223 GPRESSURE: 54400 -86.6428 12.4911 -112.388 237.904 37.4259 -121.646 -176.91 -93.3092 -35.681 PRESSAVG: 54400 53.4408 29.6728 -7.58334 29.6729 -37.5261 35.9526 -7.58334 35.9526 17.1447 GPRESSAVG: 54400 54.2663 29.9473 -8.42542 30.3018 -38.7186 38.5433 -7.417 33.226 17.0259 TIMING: 54400 CPU: 171.091, 0.00310874/step Wall: 171.091, 0.00310874/step, 4.27072 hours remaining, 224.078125 MB of memory in use. ENERGY: 54400 4019.0533 20640.5812 14411.9692 245.5796 -203223.4851 2649.4195 0.0000 0.0000 51927.0583 -109329.8239 298.4255 -161256.8821 -108959.8524 299.2847 -57.7188 -28.2993 762963.0280 11.0198 10.8579 PRESSURE: 54600 59.8789 70.3937 -216.808 70.3937 -205.223 63.0012 -216.807 62.9995 42.2478 GPRESSURE: 54600 129.204 103.731 -180.288 74.1143 -268.577 28.7321 -226.861 140.461 130.131 PRESSAVG: 54600 80.9466 -35.3346 -6.98646 -35.3347 -88.2799 -24.0909 -6.98652 -24.0909 6.06317 GPRESSAVG: 54600 82.0743 -34.8556 -6.65233 -36.5301 -88.003 -25.2056 -8.17752 -21.4406 5.25694 TIMING: 54600 CPU: 171.716, 0.0031283/step Wall: 171.716, 0.0031283/step, 4.29741 hours remaining, 224.078125 MB of memory in use. ENERGY: 54600 3990.8147 20666.0523 14412.9174 249.3673 -203337.1317 2811.3166 0.0000 0.0000 52024.1247 -109182.5387 298.9834 -161206.6634 -108814.1385 299.8495 -34.3654 -3.0808 763100.0120 -0.4234 -0.2239 PRESSURE: 54800 -310.209 33.1122 -99.9314 33.1125 -65.2043 -20.3641 -99.9319 -20.3635 -531.206 GPRESSURE: 54800 -220.53 58.1678 -28.1004 -69.2025 -77.8407 -129.853 -85.4993 -13.3769 -514.51 PRESSAVG: 54800 11.0893 14.819 18.6622 14.819 -11.0531 16.2531 18.6622 16.2531 8.48289 GPRESSAVG: 54800 10.8369 14.5011 19.3308 16.5498 -11.956 15.7718 20.8015 14.4192 9.83511 TIMING: 54800 CPU: 172.347, 0.00315556/step Wall: 172.347, 0.00315556/step, 4.33469 hours remaining, 224.078125 MB of memory in use. ENERGY: 54800 3965.1866 20375.2996 14498.4419 234.6847 -203158.9280 2767.0348 0.0000 0.0000 51891.4584 -109426.8220 298.2209 -161318.2804 -109056.3806 299.4951 -302.2063 -270.9603 762085.2885 2.8397 2.9053 PRESSURE: 55000 -32.2926 99.1062 -135.779 99.1051 -66.4018 -200.084 -135.78 -200.084 -171.583 GPRESSURE: 55000 151.058 10.139 -140.241 192.726 -100.181 -157.486 -101.67 -130.71 -233.866 PRESSAVG: 55000 -14.4335 54.4491 -52.9138 54.4491 4.29747 -27.6809 -52.9139 -27.6809 -16.4021 GPRESSAVG: 55000 -13.702 52.7326 -53.4054 53.466 4.25832 -25.2922 -53.7883 -27.6623 -17.8214 TIMING: 55000 CPU: 172.972, 0.00312455/step Wall: 172.972, 0.00312455/step, 4.29192 hours remaining, 224.078125 MB of memory in use. ENERGY: 55000 3939.8700 20606.0193 14386.1557 231.6216 -203413.8655 2759.4409 0.0000 0.0000 51971.5577 -109519.2002 298.6813 -161490.7579 -109151.0412 299.0210 -90.0926 -60.9964 761930.2109 -8.8460 -9.0884 PRESSURE: 55200 -18.3234 17.5058 136.358 17.5057 -55.3637 -192.607 136.358 -192.606 -329.326 GPRESSURE: 55200 -17.7436 58.9498 85.0278 -44.9322 -54.705 -133.645 -5.87131 -86.3035 -246.615 PRESSAVG: 55200 11.9024 -49.1544 23.6889 -49.1545 25.0825 -32.7555 23.6889 -32.7556 0.271734 GPRESSAVG: 55200 12.3813 -47.2147 23.8971 -49.9526 24.6181 -34.4233 19.5834 -31.9745 0.379559 TIMING: 55200 CPU: 173.592, 0.00309652/step Wall: 173.592, 0.00309652/step, 4.25325 hours remaining, 224.078125 MB of memory in use. ENERGY: 55200 3943.0830 20589.3467 14348.5111 233.6807 -203463.7214 2640.2133 0.0000 0.0000 52171.6513 -109537.2353 299.8312 -161708.8867 -109170.9880 299.2000 -134.3378 -106.3545 760991.3673 12.4189 12.4596 PRESSURE: 55400 29.2162 0.772232 -99.9163 0.772553 247.018 -102.669 -99.9164 -102.669 -136.167 GPRESSURE: 55400 79.7005 35.7133 -140.644 -141.658 285.963 -118.164 70.2604 -168.856 -137.532 PRESSAVG: 55400 55.0321 21.0912 -1.97943 21.0912 -73.5842 4.78692 -1.97948 4.78693 38.9061 GPRESSAVG: 55400 53.109 19.9155 -3.0141 21.1402 -71.8551 3.72836 3.04896 3.89747 39.1955 TIMING: 55400 CPU: 174.218, 0.00313092/step Wall: 174.218, 0.00313092/step, 4.30032 hours remaining, 224.078125 MB of memory in use. ENERGY: 55400 3939.0120 20603.2975 14329.3705 246.9981 -203922.6479 3018.4237 0.0000 0.0000 52400.6600 -109384.8861 301.1473 -161785.5462 -109011.5625 299.3726 46.6892 76.0441 760571.6271 6.7847 6.8165 PRESSURE: 55600 -116.373 71.8769 -164.747 71.8776 -150.718 71.9905 -164.747 71.9909 -129.78 GPRESSURE: 55600 -70.0021 92.2177 -141.271 169.055 -107.146 136.199 -136.041 6.22897 -138.274 PRESSAVG: 55600 75.4758 8.86999 -6.51207 8.87009 -67.118 -37.6987 -6.51214 -37.6988 -20.4126 GPRESSAVG: 55600 75.2379 9.23888 -6.20959 9.3947 -68.1287 -37.4065 -5.98392 -38.7735 -19.5349 TIMING: 55600 CPU: 174.844, 0.00313219/step Wall: 174.844, 0.00313219/step, 4.30189 hours remaining, 224.078125 MB of memory in use. ENERGY: 55600 3991.5317 20258.8002 14355.0733 253.2316 -203191.0971 2474.0415 0.0000 0.0000 52257.3659 -109601.0529 300.3238 -161858.4188 -109219.2246 299.2972 -132.2903 -105.1407 763021.9172 -4.0183 -4.1419 PRESSURE: 55800 313.004 305.774 -73.9646 305.774 -126.847 168.084 -73.9639 168.084 -85.3656 GPRESSURE: 55800 387.457 301.312 -102.48 177.38 -169.271 160.48 -65.0404 159.094 -18.4967 PRESSAVG: 55800 -35.0986 -8.31116 7.93409 -8.31125 7.34326 -15.9262 7.93409 -15.9262 13.0498 GPRESSAVG: 55800 -33.2171 -9.50095 8.37847 -8.90661 8.05316 -16.0227 4.94431 -15.219 10.5058 TIMING: 55800 CPU: 175.475, 0.0031563/step Wall: 175.475, 0.0031563/step, 4.33483 hours remaining, 224.078125 MB of memory in use. ENERGY: 55800 4034.2833 20410.3945 14371.6635 255.4261 -203601.7509 2940.5558 0.0000 0.0000 52129.1093 -109460.3185 299.5867 -161589.4278 -109093.6557 298.9184 33.5972 66.5634 761569.9642 -4.9019 -4.8861 PRESSURE: 56000 27.8663 -42.5036 215.051 -42.5024 268.193 42.8926 215.051 42.8937 109.726 GPRESSURE: 56000 156.48 -60.4969 236.037 71.9074 205.544 73.2463 203.929 83.4264 141.262 PRESSAVG: 56000 -2.55852 12.0329 -8.43084 12.033 -21.8442 -16.3889 -8.43079 -16.3889 -12.5218 GPRESSAVG: 56000 -3.70892 12.4103 -9.15682 14.5841 -22.612 -16.6057 -7.20855 -15.8945 -11.2309 TIMING: 56000 CPU: 176.104, 0.00314199/step Wall: 176.104, 0.00314199/step, 4.31501 hours remaining, 224.078125 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: 56000 4047.6709 20527.1545 14384.0180 239.4200 -203495.3448 2954.2352 0.0000 0.0000 51990.5455 -109352.3007 298.7904 -161342.8462 -108994.9211 299.9971 135.2618 167.7620 761878.3018 -12.3082 -12.5173 PRESSURE: 56200 -42.6553 10.782 37.6926 10.7826 -282.134 -12.201 37.6923 -12.2006 12.7013 GPRESSURE: 56200 -50.974 65.7673 -14.6623 23.4863 -179.514 53.4619 -73.6155 -139.647 -2.84863 PRESSAVG: 56200 16.4156 -30.7943 34.3729 -30.7943 -19.3617 -36.8481 34.3729 -36.8481 -16.3341 GPRESSAVG: 56200 16.7253 -28.062 34.4084 -34.7032 -18.2623 -34.8722 34.5947 -38.4548 -17.0433 TIMING: 56200 CPU: 176.73, 0.00313095/step Wall: 176.73, 0.00313095/step, 4.29966 hours remaining, 224.078125 MB of memory in use. ENERGY: 56200 3972.2992 20548.5756 14391.2142 253.0779 -203040.1737 2310.3111 0.0000 0.0000 52166.1379 -109398.5579 299.7995 -161564.6958 -109036.1924 299.1744 -104.0293 -77.7789 762905.1751 -6.4268 -6.1934 LDB: ============= START OF LOAD BALANCING ============== 189.263 LDB: ============== END OF LOAD BALANCING =============== 189.264 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 189.265 LDB: ============= START OF LOAD BALANCING ============== 189.582 LDB: Largest compute 7026 load 0.032121 is 16.5% of average load 0.194804 LDB: Average compute 0.004374 is 2.2% of average load 0.194804 LDB: TIME 189.585 LOAD: AVG 0.194804 MAX 0.213773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.688 MB LDB: TIME 189.586 LOAD: AVG 0.194804 MAX 0.213773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.801 MB LDB: TIME 189.586 LOAD: AVG 0.194804 MAX 0.213773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.801 MB LDB: ============== END OF LOAD BALANCING =============== 189.588 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 189.592 PRESSURE: 56400 -76.6017 -11.9742 -15.9596 -11.9744 -394.647 8.23968 -15.9603 8.24129 66.0074 GPRESSURE: 56400 -78.0684 27.5475 -1.455 -18.5861 -310.942 62.006 -57.118 -135.82 55.728 PRESSAVG: 56400 7.84885 -24.0148 -40.1953 -24.0149 -29.7865 -59.7291 -40.1953 -59.7291 -5.15042 GPRESSAVG: 56400 7.97765 -25.6403 -40.91 -22.2694 -31.1379 -60.2304 -39.5342 -58.4531 -3.91567 TIMING: 56400 CPU: 177.376, 0.00322848/step Wall: 177.376, 0.00322848/step, 4.43342 hours remaining, 225.136719 MB of memory in use. ENERGY: 56400 3979.9621 20621.4054 14409.8326 243.2150 -203182.9594 2568.5134 0.0000 0.0000 52039.3973 -109320.6336 299.0711 -161360.0309 -108960.1042 298.6817 -135.0805 -111.0941 761582.6024 -9.0293 -9.0253 PRESSURE: 56600 -32.0266 -113.074 -46.7935 -113.075 -443.786 -22.9965 -46.7921 -22.9955 262.774 GPRESSURE: 56600 110.055 -180.227 -64.9217 -25.4076 -362.994 61.8417 -68.5677 13.4022 118.954 PRESSAVG: 56600 61.8553 -59.8822 -13.3277 -59.8821 -31.6086 -14.8253 -13.3277 -14.8252 17.1523 GPRESSAVG: 56600 62.0722 -59.5903 -13.1346 -59.9459 -30.9103 -13.2793 -14.4403 -14.2914 15.4683 TIMING: 56600 CPU: 178.002, 0.00313049/step Wall: 178.002, 0.00313049/step, 4.29869 hours remaining, 225.453125 MB of memory in use. ENERGY: 56600 3973.3881 20561.8870 14450.4173 242.9336 -203015.4484 2632.8164 0.0000 0.0000 51929.4251 -109224.5810 298.4391 -161154.0061 -108861.6660 299.4645 -71.0129 -44.6617 762017.7792 15.7997 15.5434 PRESSURE: 56800 -263.539 108.165 41.6309 108.165 -248.408 -101.487 41.6311 -101.487 -59.7506 GPRESSURE: 56800 -237.703 -51.8639 22.6218 54.4889 -212.112 -98.9763 17.2435 -29.32 -41.8089 PRESSAVG: 56800 19.6166 -44.2129 26.9921 -44.213 -10.8166 17.6898 26.9922 17.6899 -7.67629 GPRESSAVG: 56800 19.2437 -46.0607 27.5254 -44.7977 -11.1848 16.7061 25.7195 17.3606 -6.69525 TIMING: 56800 CPU: 178.63, 0.00313892/step Wall: 178.63, 0.00313892/step, 4.31008 hours remaining, 225.449219 MB of memory in use. ENERGY: 56800 4005.4585 20546.3765 14405.7113 250.4306 -203126.8652 2660.9009 0.0000 0.0000 51840.2210 -109417.7664 297.9265 -161257.9874 -109066.4632 299.3914 -190.5661 -163.8744 762390.6604 0.3746 0.4545 PRESSURE: 57000 -232.905 17.2454 264.013 17.2452 95.973 -116.346 264.013 -116.346 313.525 GPRESSURE: 57000 -126.495 35.1197 298.579 -29.1789 28.4154 -153.502 216.678 -121.541 360.379 PRESSAVG: 57000 42.7363 -23.5215 25.5327 -23.5215 -34.3709 13.4096 25.5327 13.4096 3.06938 GPRESSAVG: 57000 43.1119 -23.8176 23.2551 -22.1018 -34.9679 13.7721 28.4115 11.7709 3.43395 TIMING: 57000 CPU: 179.255, 0.00312922/step Wall: 179.255, 0.00312922/step, 4.29659 hours remaining, 225.449219 MB of memory in use. ENERGY: 57000 4003.3296 20457.1967 14395.8174 266.4567 -203481.2335 2803.1296 0.0000 0.0000 52238.2802 -109317.0234 300.2141 -161555.3036 -108950.4034 298.9862 58.8642 87.4332 761567.9909 3.8116 3.8593 PRESSURE: 57200 127.471 -209.405 48.4539 -209.405 257.28 -108.91 48.4547 -108.91 46.3968 GPRESSURE: 57200 98.505 -195.628 1.20692 -177.468 347.522 -77.6956 -131.163 8.08091 47.0204 PRESSAVG: 57200 56.4886 -33.6615 -1.94935 -33.6615 -42.0204 2.31512 -1.94936 2.31524 -4.37489 GPRESSAVG: 57200 55.9259 -31.506 -0.379219 -34.6978 -41.2048 1.17791 -4.2889 4.19722 -5.40678 TIMING: 57200 CPU: 179.878, 0.00311275/step Wall: 179.878, 0.00311275/step, 4.27381 hours remaining, 225.449219 MB of memory in use. ENERGY: 57200 4001.8306 20529.9391 14421.5093 261.2416 -203389.7786 2723.1769 0.0000 0.0000 52351.8109 -109100.2703 300.8666 -161452.0812 -108739.6338 299.9524 143.7162 164.3492 760417.8691 3.3644 3.1048 PRESSURE: 57400 -7.64687 -72.482 104.369 -72.4818 274.155 -10.3216 104.369 -10.3215 136.433 GPRESSURE: 57400 15.041 63.9485 75.5573 -63.4563 385.698 32.3954 203.405 44.2266 85.4071 PRESSAVG: 57400 -4.86275 0.563895 -19.4076 0.563937 1.5468 -3.92031 -19.4076 -3.92033 28.0584 GPRESSAVG: 57400 -5.80108 1.24127 -17.4001 0.303954 1.79565 -3.44432 -21.2056 -5.55438 28.705 TIMING: 57400 CPU: 180.503, 0.00312388/step Wall: 180.503, 0.00312388/step, 4.28891 hours remaining, 225.449219 MB of memory in use. ENERGY: 57400 3993.1136 20456.0638 14444.8664 251.4265 -203422.6120 2846.0476 0.0000 0.0000 52350.7398 -109080.3544 300.8604 -161431.0942 -108722.6620 300.3282 134.3137 162.0489 762529.2241 8.2475 8.2332 PRESSURE: 57600 286.827 29.7125 -10.3986 29.7133 -398.525 55.081 -10.3984 55.0808 363.338 GPRESSURE: 57600 345.337 93.6775 7.88596 -12.1634 -366.867 3.2349 -123.366 108.292 366.157 PRESSAVG: 57600 22.0707 -52.2153 -10.4203 -52.2153 -3.70781 13.0846 -10.4203 13.0846 -15.749 GPRESSAVG: 57600 23.1505 -53.229 -10.2975 -52.2419 -5.01553 12.0616 -7.13979 15.8263 -15.4612 TIMING: 57600 CPU: 181.128, 0.00312589/step Wall: 181.128, 0.00312589/step, 4.29149 hours remaining, 225.449219 MB of memory in use. ENERGY: 57600 3906.9594 20518.3334 14467.7103 230.0980 -203336.4501 2782.6051 0.0000 0.0000 52277.0627 -109153.6812 300.4370 -161430.7438 -108779.1138 300.1052 83.8800 114.8756 763827.3437 0.8713 0.8913 PRESSURE: 57800 -112.719 -11.1618 5.9757 -11.1599 -248.702 -151.027 5.97708 -151.027 -217.614 GPRESSURE: 57800 -14.2874 -76.7723 0.858685 -116.748 -261.142 -113.69 -158.305 -144.552 -189.458 PRESSAVG: 57800 103.725 -6.64464 -63.1775 -6.64459 -60.4808 -29.5803 -63.1774 -29.5803 -9.56932 GPRESSAVG: 57800 101.715 -6.31695 -64.9885 -5.9333 -58.7086 -29.5792 -65.2783 -30.6395 -9.44009 TIMING: 57800 CPU: 181.752, 0.00311984/step Wall: 181.752, 0.00311984/step, 4.28302 hours remaining, 225.449219 MB of memory in use. ENERGY: 57800 3971.9202 20505.1966 14458.3900 250.8004 -203028.5247 2450.7433 0.0000 0.0000 52087.0807 -109304.3936 299.3452 -161391.4743 -108949.3540 299.7661 -193.0116 -154.9624 763762.9529 11.2249 11.1888 PRESSURE: 58000 12.7506 61.3518 -200.477 61.3517 36.9141 76.769 -200.477 76.7688 236.112 GPRESSURE: 58000 83.5563 -39.2456 -236.349 58.1358 18.9539 92.8588 -196.503 221.547 300.97 PRESSAVG: 58000 48.9333 -18.248 -35.9078 -18.2479 -44.2215 6.46028 -35.9079 6.46033 -7.46895 GPRESSAVG: 58000 49.758 -18.01 -36.3032 -20.4891 -45.3157 6.70815 -36.0162 5.88291 -7.04505 TIMING: 58000 CPU: 182.378, 0.00313057/step Wall: 182.378, 0.00313057/step, 4.29757 hours remaining, 225.449219 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: 58000 3960.6595 20719.0921 14453.4929 267.2079 -203852.9891 3106.2798 0.0000 0.0000 52198.6654 -109147.5914 299.9864 -161346.2568 -108777.4671 299.3659 95.2588 134.4935 761677.9351 -0.9190 -0.8676 PRESSURE: 58200 43.834 -138.92 -132.478 -138.92 510.085 30.8754 -132.477 30.8763 121.892 GPRESSURE: 58200 194.206 0.169475 -123.431 -158.231 440.199 20.9959 -192.585 118.773 93.5489 PRESSAVG: 58200 86.3691 -38.5654 -72.3626 -38.5655 -45.357 14.7129 -72.3626 14.7129 -36.5582 GPRESSAVG: 58200 87.0251 -38.3896 -70.4087 -36.7465 -45.1737 14.5898 -70.6915 15.3336 -37.5051 TIMING: 58200 CPU: 183.005, 0.0031323/step Wall: 183.005, 0.0031323/step, 4.29978 hours remaining, 225.449219 MB of memory in use. ENERGY: 58200 4032.8085 20675.9504 14413.9732 249.2392 -203854.8110 3036.2184 0.0000 0.0000 52397.2858 -109049.3355 301.1279 -161446.6213 -108676.9523 300.4487 225.2704 242.6512 762275.9412 1.4846 1.4488 PRESSURE: 58400 24.1621 -24.9946 -64.6553 -24.9942 -357.628 59.9802 -64.6556 59.9804 -326.966 GPRESSURE: 58400 -103.641 -29.8306 -25.7834 -52.2194 -173.549 -26.6009 -69.9684 2.76869 -299.821 PRESSAVG: 58400 16.4628 -10.1797 -35.8206 -10.1797 -45.1827 26.0803 -35.8207 26.0803 -18.6625 GPRESSAVG: 58400 15.7795 -10.1206 -36.7309 -11.6681 -45.5682 29.0643 -37.2553 25.0686 -17.9387 TIMING: 58400 CPU: 183.631, 0.00313352/step Wall: 183.631, 0.00313352/step, 4.30128 hours remaining, 225.449219 MB of memory in use. ENERGY: 58400 4009.5476 20787.1808 14445.1191 234.2435 -203304.9076 2411.0581 0.0000 0.0000 52200.3657 -109217.3929 299.9962 -161417.7585 -108854.5083 299.8564 -220.1439 -192.3367 763666.5477 -15.7941 -15.9091 PRESSURE: 58600 -190.752 73.0371 -48.6479 73.0372 -53.1973 -139.296 -48.647 -139.297 -270.793 GPRESSURE: 58600 -115.908 104.538 27.1921 66.7786 -72.4476 -144.603 -187.174 -99.1906 -219.155 PRESSAVG: 58600 24.4289 -31.18 -52.3945 -31.1799 -22.9691 35.4813 -52.3945 35.4813 -3.09971 GPRESSAVG: 58600 25.3041 -32.9074 -53.2554 -29.9419 -22.8502 33.8188 -50.0276 35.675 -3.98936 TIMING: 58600 CPU: 184.257, 0.003128/step Wall: 184.257, 0.003128/step, 4.29352 hours remaining, 225.449219 MB of memory in use. ENERGY: 58600 4060.8668 20488.4103 14489.9474 242.9801 -203172.1486 2549.5136 0.0000 0.0000 52333.7633 -109006.6672 300.7629 -161340.4305 -108637.9216 299.6569 -171.5807 -135.8371 763512.1841 -0.5466 -0.5118 PRESSURE: 58800 -218.924 -146.18 -81.1985 -146.181 -618.16 -12.0097 -81.1986 -12.0096 -131.347 GPRESSURE: 58800 -140.495 -98.8048 -37.6898 -77.4752 -634.139 7.64575 -174.397 11.7332 -98.8877 PRESSAVG: 58800 -17.9747 -5.82161 -36.2152 -5.82165 13.9386 27.9486 -36.2152 27.9486 8.72075 GPRESSAVG: 58800 -18.6382 -5.55368 -34.9779 -5.26274 14.2446 26.1829 -37.4735 28.4524 9.11929 TIMING: 58800 CPU: 184.879, 0.0031099/step Wall: 184.879, 0.0031099/step, 4.26851 hours remaining, 225.519531 MB of memory in use. ENERGY: 58800 4083.6860 20750.1541 14492.5412 244.9333 -203449.5917 2767.7160 0.0000 0.0000 52072.8832 -109037.6780 299.2636 -161110.5612 -108678.7925 299.9140 -322.8105 -291.1738 762292.0372 1.5615 1.5753 PRESSURE: 59000 -68.6209 13.294 52.4508 13.2947 -65.1068 -102.754 52.4513 -102.753 238.632 GPRESSURE: 59000 -37.3002 -79.7816 75.8318 13.6492 -26.5193 -3.82849 17.7292 -33.1802 254.111 PRESSAVG: 59000 14.2159 -62.1528 -8.47771 -62.1528 -18.8954 25.1795 -8.4777 25.1796 -21.6134 GPRESSAVG: 59000 14.5885 -64.4183 -7.3802 -60.7857 -19.298 25.8107 -11.4649 24.1868 -21.5894 TIMING: 59000 CPU: 185.503, 0.00312005/step Wall: 185.503, 0.00312005/step, 4.28227 hours remaining, 225.519531 MB of memory in use. ENERGY: 59000 3989.4862 20659.1220 14425.9506 253.4279 -203567.1819 2958.7260 0.0000 0.0000 52474.7024 -108805.7669 301.5728 -161280.4693 -108447.8212 300.8201 34.9681 63.4304 761649.3738 -8.7643 -8.7663 PRESSURE: 59200 -27.0631 12.6569 11.7361 12.6576 -294.266 -145.513 11.7366 -145.512 -278.909 GPRESSURE: 59200 21.3927 34.0434 36.2448 -9.74335 -218.771 -204.608 -15.8042 -257.054 -305.366 PRESSAVG: 59200 56.008 -4.00113 -1.34782 -4.00118 -34.4332 32.9651 -1.34784 32.965 23.7823 GPRESSAVG: 59200 57.4843 -3.22366 -3.07999 -5.16967 -35.0423 33.0405 0.459176 30.9085 22.7329 TIMING: 59200 CPU: 186.124, 0.00310776/step Wall: 186.124, 0.00310776/step, 4.26523 hours remaining, 225.519531 MB of memory in use. ENERGY: 59200 4109.4641 20818.1633 14414.9934 230.1720 -203336.5476 2629.0583 0.0000 0.0000 52254.9573 -108879.7391 300.3100 -161134.6964 -108525.2019 300.0577 -200.0795 -167.5815 762354.3607 15.1191 15.0583 PRESSURE: 59400 294.899 110.628 303.472 110.629 -264.309 -99.5245 303.471 -99.5255 -163.368 GPRESSURE: 59400 275.07 121.898 341.499 143.941 -220.602 -14.036 342.409 0.575671 -90.9668 PRESSAVG: 59400 46.8962 1.20606 5.44711 1.20601 -76.1969 49.2509 5.4471 49.2509 -9.58608 GPRESSAVG: 59400 45.7075 2.49299 6.46802 0.133292 -75.9958 50.1407 6.64547 52.5496 -8.38129 TIMING: 59400 CPU: 186.746, 0.00311031/step Wall: 186.746, 0.00311031/step, 4.26856 hours remaining, 225.519531 MB of memory in use. ENERGY: 59400 4016.7977 20752.7737 14391.5304 263.7805 -203053.0241 2382.9671 0.0000 0.0000 52217.4900 -109027.6847 300.0946 -161245.1747 -108658.1858 300.1134 -44.2592 -12.1663 762131.0313 -12.9623 -12.8899 PRESSURE: 59600 -261.672 -104.395 -197.497 -104.395 -506.239 172.418 -197.499 172.417 -1.61937 GPRESSURE: 59600 -298.809 -167.914 -270.05 -100.032 -338.194 266.392 -240.943 134.781 -30.4474 PRESSAVG: 59600 4.2977 -41.0336 7.11398 -41.0335 51.2083 -15.7244 7.11396 -15.7244 17.2159 GPRESSAVG: 59600 3.12951 -42.0659 7.20081 -40.7689 52.3131 -16.5589 7.62855 -16.2625 16.9354 TIMING: 59600 CPU: 187.368, 0.00310911/step Wall: 187.368, 0.00310911/step, 4.26674 hours remaining, 225.519531 MB of memory in use. ENERGY: 59600 3993.0118 20688.2231 14427.7712 225.4374 -203063.6267 2533.4993 0.0000 0.0000 52256.6579 -108939.0260 300.3197 -161195.6838 -108566.1533 300.3208 -256.5099 -222.4835 763020.9985 24.2406 24.1260 PRESSURE: 59800 -11.8536 -164.738 162.804 -164.739 -267.257 -151.316 162.805 -151.315 387.85 GPRESSURE: 59800 37.0846 -42.4348 75.0072 -128.619 -213.885 -127.118 119.522 -259.231 356.943 PRESSAVG: 59800 -1.95264 -0.0705157 12.6715 -0.0705361 -24.6125 29.4888 12.6715 29.4887 -12.6234 GPRESSAVG: 59800 -0.905322 0.136824 12.2803 0.855344 -24.0647 30.0231 10.5014 28.0856 -13.897 TIMING: 59800 CPU: 187.991, 0.00311617/step Wall: 187.991, 0.00311617/step, 4.27626 hours remaining, 225.519531 MB of memory in use. ENERGY: 59800 4031.4430 20674.2199 14399.6016 260.3925 -203327.0031 2763.8019 0.0000 0.0000 52217.1404 -108980.4037 300.0926 -161197.5441 -108603.6289 299.7980 36.2466 60.0475 762893.6341 -13.0628 -12.9557 PRESSURE: 60000 -161.127 -43.7908 -173.306 -43.7907 -50.7873 -7.50753 -173.306 -7.50759 -70.3308 GPRESSURE: 60000 -88.131 20.2539 -142.186 43.418 -6.16764 1.21994 -153.189 -19.1751 -114.02 PRESSAVG: 60000 -16.5046 -7.10774 37.8289 -7.10773 11.5183 -10.3437 37.8289 -10.3437 12.5848 GPRESSAVG: 60000 -17.1845 -6.17036 36.8505 -7.52239 10.8201 -11.8686 38.3271 -8.1757 13.6039 TIMING: 60000 CPU: 188.616, 0.00312305/step Wall: 188.616, 0.00312305/step, 4.28552 hours remaining, 225.519531 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: 60000 3955.2540 20612.9790 14455.4373 256.1947 -203192.9633 2764.4265 0.0000 0.0000 52071.0987 -109077.5731 299.2533 -161148.6718 -108708.2685 300.3945 -94.0817 -69.4395 762518.4247 2.5329 2.4132 PRESSURE: 60200 -97.061 22.0534 60.0906 22.0532 -65.2152 95.7157 60.0912 95.7143 -43.8161 GPRESSURE: 60200 -10.5136 -3.63801 77.0423 4.66504 -45.4316 133.895 -21.3584 -21.3688 -48.6802 PRESSAVG: 60200 52.2153 0.834023 -3.73273 0.833958 -44.432 22.1635 -3.73277 22.1634 -18.3759 GPRESSAVG: 60200 53.6787 0.133984 -3.34949 -0.768484 -44.8291 22.8518 -3.48539 21.6424 -19.3244 TIMING: 60200 CPU: 189.242, 0.00312883/step Wall: 189.242, 0.00312883/step, 4.29328 hours remaining, 225.519531 MB of memory in use. ENERGY: 60200 4012.0579 20693.0584 14404.6215 237.6317 -203360.3241 2886.1101 0.0000 0.0000 51759.2609 -109367.5837 297.4612 -161126.8446 -109018.7815 299.7410 -68.6974 -34.8751 762388.1369 -3.5308 -3.4916 LDB: ============= START OF LOAD BALANCING ============== 201.77 LDB: ============== END OF LOAD BALANCING =============== 201.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 201.772 LDB: ============= START OF LOAD BALANCING ============== 202.083 LDB: Largest compute 7026 load 0.031354 is 16.1% of average load 0.194728 LDB: Average compute 0.004367 is 2.2% of average load 0.194728 LDB: TIME 202.087 LOAD: AVG 0.194728 MAX 0.212648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.043 MB LDB: TIME 202.087 LOAD: AVG 0.194728 MAX 0.212648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.242 MB LDB: TIME 202.087 LOAD: AVG 0.194728 MAX 0.212648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.242 MB LDB: ============== END OF LOAD BALANCING =============== 202.089 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 202.094 PRESSURE: 60400 -271.701 -6.70408 -16.3066 -6.70417 -304.596 -74.7729 -16.3065 -74.7714 109.292 GPRESSURE: 60400 -138.327 28.498 50.6616 4.39074 -276.404 -108.892 54.4834 -48.478 37.9193 PRESSAVG: 60400 7.33879 -0.408419 8.73476 -0.408406 -11.9147 -8.38945 8.7347 -8.38948 12.8924 GPRESSAVG: 60400 6.57838 0.0615051 8.30078 1.28068 -12.0401 -8.72415 10.119 -8.86439 13.5967 TIMING: 60400 CPU: 189.877, 0.00317422/step Wall: 189.877, 0.00317422/step, 4.35538 hours remaining, 223.687500 MB of memory in use. ENERGY: 60400 4021.3378 20448.8318 14427.9408 242.8521 -203580.1877 2629.6471 0.0000 0.0000 52155.5991 -109653.9791 299.7389 -161809.5781 -109297.5926 298.8618 -155.6684 -125.6040 762631.6362 2.7722 2.7117 PRESSURE: 60600 167.425 107.04 98.6464 107.039 162.412 -163.944 98.6467 -163.943 130.04 GPRESSURE: 60600 118.804 76.2239 10.5689 35.2748 243.392 -140.689 33.5146 -92.2186 167.965 PRESSAVG: 60600 -27.015 7.73868 17.2806 7.73866 30.5474 18.4674 17.2806 18.4674 9.67471 GPRESSAVG: 60600 -28.72 6.07611 19.4232 5.97694 32.7463 18.1137 16.4699 21.46 9.34417 TIMING: 60600 CPU: 190.502, 0.0031255/step Wall: 190.502, 0.0031255/step, 4.28835 hours remaining, 223.687500 MB of memory in use. ENERGY: 60600 4005.4268 20564.7305 14399.8497 233.1428 -203945.3949 3204.3544 0.0000 0.0000 52121.8658 -109416.0248 299.5451 -161537.8905 -109058.4740 299.2863 153.2924 176.7201 761860.7962 4.4024 4.4568 PRESSURE: 60800 -16.3025 26.5954 45.7212 26.5959 -184.616 24.8945 45.7212 24.8954 -307.29 GPRESSURE: 60800 -43.1925 75.8914 127.234 84.9682 -144.377 41.003 -44.5201 7.86205 -235.27 PRESSAVG: 60800 -6.04422 -19.138 -1.14573 -19.138 6.71187 -32.225 -1.14568 -32.225 -6.27281 GPRESSAVG: 60800 -6.66851 -17.1487 -1.3014 -17.5233 6.75888 -31.1205 -1.04256 -32.3872 -5.84905 TIMING: 60800 CPU: 191.132, 0.00314998/step Wall: 191.132, 0.00314998/step, 4.32177 hours remaining, 223.687500 MB of memory in use. ENERGY: 60800 3985.0980 20581.9908 14450.9784 234.4606 -203427.6112 2713.8876 0.0000 0.0000 52252.9298 -109208.2659 300.2983 -161461.1957 -108844.8667 299.5956 -169.4030 -140.9465 763541.5821 -1.8684 -1.9196 PRESSURE: 61000 54.0014 81.1189 31.0689 81.119 6.65763 -27.239 31.068 -27.2392 19.5874 GPRESSURE: 61000 113.423 32.2861 -3.76412 31.2892 -20.0985 66.272 56.0634 -223.478 69.9819 PRESSAVG: 61000 62.2427 39.3849 -2.81504 39.385 -48.8242 -29.6444 -2.81509 -29.6443 12.9586 GPRESSAVG: 61000 64.3 37.2908 -4.8232 38.5784 -49.1039 -29.1378 -3.93525 -31.5433 12.1478 TIMING: 61000 CPU: 191.759, 0.00313841/step Wall: 191.759, 0.00313841/step, 4.30573 hours remaining, 223.687500 MB of memory in use. ENERGY: 61000 4057.9831 20768.2252 14479.1600 246.4710 -203762.2851 2916.1706 0.0000 0.0000 52060.2520 -109234.0234 299.1910 -161294.2754 -108881.6193 299.7641 26.7488 54.4353 762060.8137 8.7924 9.1146 PRESSURE: 61200 285.658 -92.8428 57.8625 -92.8434 64.3978 241.632 57.8623 241.632 44.0192 GPRESSURE: 61200 284.564 -32.9886 45.6432 -115.737 111.136 215.687 145.891 185.301 95.319 PRESSAVG: 61200 17.9854 -0.545744 5.89575 -0.54576 6.54701 42.1363 5.89582 42.1363 -3.43948 GPRESSAVG: 61200 18.2496 2.41562 6.74077 -0.378549 6.12753 41.6517 5.43939 41.4719 -3.24498 TIMING: 61200 CPU: 192.384, 0.0031203/step Wall: 192.384, 0.0031203/step, 4.2807 hours remaining, 223.687500 MB of memory in use. ENERGY: 61200 3951.9892 20569.3717 14368.3998 230.1190 -203361.1965 2769.8530 0.0000 0.0000 52219.9660 -109251.4977 300.1089 -161471.4637 -108884.2259 300.0145 131.3585 163.6731 761553.3724 7.0310 7.0441 PRESSURE: 61400 -164.388 242.011 35.0156 242.011 18.0882 11.6207 35.0165 11.6206 -556.025 GPRESSURE: 61400 -151.981 294.608 56.0037 176.718 34.6231 20.8067 13.3129 -63.175 -472.084 PRESSAVG: 61400 -17.5048 25.0718 -2.29543 25.0718 -22.2476 -16.7889 -2.29545 -16.7889 -0.768521 GPRESSAVG: 61400 -16.7401 23.4555 -2.16747 24.9073 -22.5422 -17.1342 -2.82205 -15.8232 -1.05535 TIMING: 61400 CPU: 193.01, 0.00313362/step Wall: 193.01, 0.00313362/step, 4.2988 hours remaining, 223.925781 MB of memory in use. ENERGY: 61400 3986.0892 20702.7870 14414.2899 244.2506 -203015.0152 2413.5776 0.0000 0.0000 52225.3517 -109028.6691 300.1398 -161254.0208 -108665.5606 300.2093 -234.1083 -196.4805 762928.4128 -13.5070 -13.4459 PRESSURE: 61600 98.6828 140.754 -101.307 140.754 -31.5783 -151.507 -101.306 -151.506 134.461 GPRESSURE: 61600 120.656 175.081 -85.6925 84.1618 -37.5907 -229.674 -47.2973 -250.712 202.402 PRESSAVG: 61600 35.2825 123.474 21.3253 123.474 -16.8382 15.0131 21.3253 15.0131 -3.19229 GPRESSAVG: 61600 34.5652 122.517 21.1002 123.637 -16.5731 14.754 23.8677 16.1358 -2.84891 TIMING: 61600 CPU: 193.638, 0.00313916/step Wall: 193.638, 0.00313916/step, 4.30623 hours remaining, 223.925781 MB of memory in use. ENERGY: 61600 4024.2567 20621.6846 14471.9151 255.9029 -202918.0426 2613.9612 0.0000 0.0000 51962.1343 -108968.1879 298.6271 -160930.3222 -108604.5629 299.8124 67.1885 95.1559 761620.9418 5.0840 5.0477 PRESSURE: 61800 15.634 114.455 110.485 114.453 -104.159 -153.71 110.485 -153.709 -408.184 GPRESSURE: 61800 -57.1771 -76.1911 152.379 50.5761 -101.845 -146.706 66.9909 -207.286 -247.636 PRESSAVG: 61800 78.8113 59.625 -28.7656 59.625 -22.6511 -27.7625 -28.7656 -27.7626 -13.6523 GPRESSAVG: 61800 77.8341 61.2563 -28.3947 61.3561 -22.3137 -28.7913 -32.4437 -28.5067 -13.4963 TIMING: 61800 CPU: 194.263, 0.00312343/step Wall: 194.263, 0.00312343/step, 4.28448 hours remaining, 223.925781 MB of memory in use. ENERGY: 61800 4028.6294 20610.4559 14400.4930 257.0243 -202904.5776 2634.4234 0.0000 0.0000 51995.1500 -108978.4016 298.8168 -160973.5516 -108619.7729 300.4504 -165.5697 -135.5526 763375.1622 14.1693 14.0080 PRESSURE: 62000 -255.582 38.9412 31.0449 38.9411 -345.048 109.317 31.0447 109.317 -211.302 GPRESSURE: 62000 -188.102 -19.1864 -42.4845 -8.76575 -285.99 87.5116 163.548 83.9513 -245.912 PRESSAVG: 62000 70.8489 33.0996 -38.781 33.0996 -20.0857 -41.7146 -38.781 -41.7147 -14.6031 GPRESSAVG: 62000 70.5003 33.215 -39.1762 31.2384 -20.9412 -39.9178 -35.9673 -42.2322 -13.6257 TIMING: 62000 CPU: 194.888, 0.00312548/step Wall: 194.888, 0.00312548/step, 4.28712 hours remaining, 223.925781 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: 62000 4060.1028 20526.3971 14363.5537 258.8413 -203120.0640 2555.6514 0.0000 0.0000 52296.3284 -109059.1893 300.5477 -161355.5177 -108702.7230 300.1610 -270.6437 -240.0016 763084.4723 12.0534 11.9778 PRESSURE: 62200 -359.596 140.753 168.233 140.753 -125.185 53.9134 168.234 53.9141 120.373 GPRESSURE: 62200 -232.609 187.489 151.183 75.7919 -128.02 123.522 105.114 126.213 89.11 PRESSAVG: 62200 22.4068 58.3358 -42.2149 58.3358 -26.3524 0.902617 -42.2149 0.902582 26.3319 GPRESSAVG: 62200 22.6783 59.4293 -40.8776 59.1811 -25.91 -1.13683 -40.3969 1.05701 25.5461 TIMING: 62200 CPU: 195.512, 0.00311918/step Wall: 195.512, 0.00311918/step, 4.2783 hours remaining, 223.925781 MB of memory in use. ENERGY: 62200 4012.1561 20522.4966 14426.0221 243.4533 -203606.8840 2839.7606 0.0000 0.0000 52180.5488 -109382.4466 299.8823 -161562.9954 -109013.1111 299.5483 -121.4696 -90.5065 763407.6888 7.4621 7.4382 PRESSURE: 62400 -160.57 -28.9577 170.486 -28.9579 -71.2182 117.008 170.487 117.008 212.349 GPRESSURE: 62400 -107.569 30.6925 204.261 -142.695 37.7146 133.935 7.23761 144.874 129.819 PRESSAVG: 62400 54.981 65.9602 3.23062 65.9602 -34.1853 0.103736 3.23059 0.103733 9.77598 GPRESSAVG: 62400 56.1707 63.3585 1.84727 66.5179 -34.2531 2.1919 -1.17761 0.350474 8.08842 TIMING: 62400 CPU: 196.135, 0.00311804/step Wall: 196.135, 0.00311804/step, 4.27656 hours remaining, 223.925781 MB of memory in use. ENERGY: 62400 3967.8242 20458.8844 14451.1333 246.8773 -203131.0460 2695.1401 0.0000 0.0000 51994.7465 -109316.4403 298.8145 -161311.1867 -108956.2882 299.0826 -6.4797 19.9882 763031.3751 10.1905 10.0020 PRESSURE: 62600 -331.943 362.83 -112.574 362.829 -228.213 -159.006 -112.575 -159.006 172.547 GPRESSURE: 62600 -358.778 278.939 -125.539 403.954 -48.5214 -121.595 13.9529 -241.036 114.93 PRESSAVG: 62600 2.72112 13.6612 -5.47637 13.6611 9.79912 21.9652 -5.47645 21.9652 5.78516 GPRESSAVG: 62600 0.691705 12.6091 -3.63229 14.5231 11.5746 20.6574 -4.05097 23.1026 6.50123 TIMING: 62600 CPU: 196.76, 0.0031258/step Wall: 196.76, 0.0031258/step, 4.28704 hours remaining, 223.925781 MB of memory in use. ENERGY: 62600 4084.3725 20426.4196 14391.4483 265.8978 -202914.2344 2496.2523 0.0000 0.0000 51878.7895 -109371.0543 298.1481 -161249.8438 -109009.8338 298.8924 -129.2030 -97.4565 764433.0037 6.1018 6.2559 PRESSURE: 62800 -265.774 -65.1543 91.2915 -65.1539 -319.237 -82.0046 91.2918 -82.004 374.34 GPRESSURE: 62800 -145.996 -158.656 119.06 4.49418 -351.17 -51.3865 169.972 53.8148 384.848 PRESSAVG: 62800 -40.8038 -10.1261 39.468 -10.1261 20.8291 37.0633 39.468 37.0633 5.66416 GPRESSAVG: 62800 -40.5863 -9.60472 35.1194 -11.3369 20.0573 37.5807 41.4712 36.5268 6.22492 TIMING: 62800 CPU: 197.387, 0.00313236/step Wall: 197.387, 0.00313236/step, 4.29586 hours remaining, 223.925781 MB of memory in use. ENERGY: 62800 4039.1586 20527.3906 14379.5084 220.1818 -203342.0191 2904.4056 0.0000 0.0000 52047.4404 -109223.9336 299.1174 -161271.3740 -108859.1932 298.8418 -70.2235 -37.4392 763199.4655 -4.7702 -4.7680 PRESSURE: 63000 -124.968 92.8644 -41.0454 92.8637 -36.7883 -35.5746 -41.0458 -35.574 -170.762 GPRESSURE: 63000 39.151 36.6999 -3.61277 35.5069 -93.6484 -33.9475 -72.8995 -35.9041 -192.078 PRESSAVG: 63000 12.9023 -6.93068 -2.10759 -6.93069 -48.3347 -2.53227 -2.10759 -2.53225 -4.82827 GPRESSAVG: 63000 13.779 -4.86031 -0.177546 -8.22389 -49.2039 -1.47008 -2.2167 -1.38904 -4.30373 TIMING: 63000 CPU: 198.01, 0.00311641/step Wall: 198.01, 0.00311641/step, 4.27381 hours remaining, 223.925781 MB of memory in use. ENERGY: 63000 3988.0580 20622.3129 14362.5626 254.9769 -202902.2716 2313.9038 0.0000 0.0000 52138.4583 -109221.9991 299.6404 -161360.4575 -108859.6410 299.6357 -110.8396 -82.1917 763758.0249 -13.4203 -13.2429 PRESSURE: 63200 -150.099 27.0199 -223.015 27.0194 -151.225 -134.375 -223.014 -134.374 -19.6042 GPRESSURE: 63200 -206.353 -43.3304 -156.92 53.1163 -176.735 -122.252 -267.407 -106.898 123.89 PRESSAVG: 63200 52.2389 -17.6063 -26.1208 -17.6064 -64.4987 44.654 -26.1209 44.654 -3.05438 GPRESSAVG: 63200 53.1609 -21.9777 -26.0088 -16.7759 -64.7516 44.0157 -25.8135 44.1532 -3.60472 TIMING: 63200 CPU: 198.633, 0.00311551/step Wall: 198.633, 0.00311551/step, 4.2724 hours remaining, 223.925781 MB of memory in use. ENERGY: 63200 3991.6183 20654.6710 14370.6063 234.0889 -203127.7831 2593.5247 0.0000 0.0000 52019.9973 -109263.2765 298.9596 -161283.2738 -108907.8151 299.5738 -106.9761 -86.3991 764781.9590 -5.1047 -5.0652 PRESSURE: 63400 187.231 -131.841 -15.4598 -131.841 -287.944 -98.5312 -15.4587 -98.5304 261.871 GPRESSURE: 63400 166.541 -115.629 73.354 -86.3311 -291.081 -70.271 43.89 -190.234 363.029 PRESSAVG: 63400 -15.8407 -8.98064 -18.3045 -8.98064 -46.6003 19.1989 -18.3044 19.1989 -0.866704 GPRESSAVG: 63400 -17.3571 -4.8705 -18.0839 -9.35728 -46.9984 20.1711 -19.7255 19.0057 0.669246 TIMING: 63400 CPU: 199.259, 0.00312696/step Wall: 199.259, 0.00312696/step, 4.28793 hours remaining, 223.925781 MB of memory in use. ENERGY: 63400 4007.8040 20563.1915 14396.2612 255.1700 -203386.0774 2658.3634 0.0000 0.0000 52400.1804 -109105.1069 301.1446 -161505.2873 -108735.7365 299.3980 53.7195 79.4963 762591.9048 -21.1026 -21.2287 PRESSURE: 63600 327.18 138.404 -82.8707 138.404 140.333 -28.4459 -82.8703 -28.4461 20.4993 GPRESSURE: 63600 272.641 218.85 -112.468 70.7899 207.072 -136.444 -49.0078 6.28256 91.6664 PRESSAVG: 63600 1.53113 5.46507 31.1367 5.46505 -53.1211 19.5829 31.1366 19.583 21.9802 GPRESSAVG: 63600 2.3199 4.43481 30.327 5.841 -51.6526 18.1411 33.0912 19.4537 20.2379 TIMING: 63600 CPU: 199.89, 0.00315486/step Wall: 199.89, 0.00315486/step, 4.32601 hours remaining, 223.925781 MB of memory in use. ENERGY: 63600 4060.4372 20616.5025 14358.5635 234.1666 -203211.7120 2776.6031 0.0000 0.0000 52004.1674 -109161.2716 298.8687 -161165.4390 -108802.5625 299.3105 162.6709 190.4597 763593.2742 -9.8699 -9.6983 PRESSURE: 63800 -87.9722 -129.633 73.902 -129.633 61.9598 15.278 73.9018 15.2764 -6.87282 GPRESSURE: 63800 -21.1064 -195.778 143.894 -165.833 39.8037 5.10625 95.7566 -53.1548 28.1 PRESSAVG: 63800 74.1869 -13.7016 -36.6763 -13.7015 -58.1237 -41.2322 -36.6762 -41.2322 15.3697 GPRESSAVG: 63800 73.8737 -13.9429 -35.1304 -13.2694 -58.7962 -40.1811 -38.4574 -44.1302 16.0854 TIMING: 63800 CPU: 200.515, 0.0031278/step Wall: 200.515, 0.0031278/step, 4.28873 hours remaining, 223.925781 MB of memory in use. ENERGY: 63800 4062.1390 20564.6327 14340.5050 266.8388 -203191.1483 2770.7615 0.0000 0.0000 51905.1050 -109281.1663 298.2994 -161186.2713 -108923.5662 299.1552 -10.9617 15.5991 765059.6882 10.4776 10.3876 PRESSURE: 64000 -197.007 85.1484 131.234 85.1479 -316.213 -175.762 131.234 -175.762 103.935 GPRESSURE: 64000 -153.682 79.2468 58.2527 38.1537 -272.132 -178.711 126.542 -142.325 86.588 PRESSAVG: 64000 45.3455 6.43151 -33.4626 6.43153 -38.8581 -48.409 -33.4627 -48.4091 1.30345 GPRESSAVG: 64000 45.1189 5.48631 -34.9697 6.43682 -38.4546 -49.722 -33.6469 -48.4311 1.37927 TIMING: 64000 CPU: 201.142, 0.00313206/step Wall: 201.142, 0.00313206/step, 4.2944 hours remaining, 223.925781 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: 64000 3990.3863 20521.2213 14386.3565 243.7968 -203347.1196 2849.2150 0.0000 0.0000 51958.8691 -109397.2745 298.6083 -161356.1436 -109041.8192 298.9194 -136.4280 -113.0753 762645.5939 2.5970 2.6812 PRESSURE: 64200 -0.508927 -130.609 -142.156 -130.61 225.264 -0.445046 -142.156 -0.444607 -141.954 GPRESSURE: 64200 12.5343 -140.799 -198.254 -37.5925 225.122 144.536 58.2961 54.0574 -48.0876 PRESSAVG: 64200 36.6052 -26.802 -13.6217 -26.802 -73.4731 11.6319 -13.6217 11.6319 6.18175 GPRESSAVG: 64200 37.5157 -27.387 -13.8856 -25.1337 -74.023 13.7579 -13.0912 13.3479 6.14607 TIMING: 64200 CPU: 201.775, 0.0031648/step Wall: 201.775, 0.0031648/step, 4.33911 hours remaining, 223.925781 MB of memory in use. ENERGY: 64200 4009.6273 20579.4459 14428.1798 243.8105 -203225.4618 2664.2891 0.0000 0.0000 51926.5486 -109373.5607 298.4226 -161300.1093 -109015.2504 299.2747 27.6004 63.1897 762652.8605 -10.2287 -10.1204 LDB: ============= START OF LOAD BALANCING ============== 214.306 LDB: ============== END OF LOAD BALANCING =============== 214.306 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 214.308 LDB: ============= START OF LOAD BALANCING ============== 214.623 LDB: Largest compute 7026 load 0.030740 is 15.8% of average load 0.194759 LDB: Average compute 0.004363 is 2.2% of average load 0.194759 LDB: TIME 214.626 LOAD: AVG 0.194759 MAX 0.216471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.777 MB LDB: TIME 214.627 LOAD: AVG 0.194759 MAX 0.216471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.777 MB LDB: TIME 214.627 LOAD: AVG 0.194759 MAX 0.216471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.777 MB LDB: ============== END OF LOAD BALANCING =============== 214.629 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 214.634 PRESSURE: 64400 -296.65 -98.6811 -171.675 -98.6807 -135.101 32.7139 -171.675 32.7142 -124.745 GPRESSURE: 64400 -294.45 -73.3212 -195.822 -200.175 -25.9554 0.439295 -8.08381 -48.2531 -167.692 PRESSAVG: 64400 64.5778 -69.6051 4.87089 -69.6052 -50.0313 57.6159 4.87087 57.616 -2.50281 GPRESSAVG: 64400 63.3885 -67.8648 8.02822 -71.2126 -50.3461 55.2616 6.46855 58.8019 -1.5625 TIMING: 64400 CPU: 202.417, 0.0032103/step Wall: 202.417, 0.0032103/step, 4.40132 hours remaining, 224.800781 MB of memory in use. ENERGY: 64400 4044.6146 20413.9275 14484.6835 254.3537 -203588.3720 2695.3739 0.0000 0.0000 52185.8529 -109509.5660 299.9128 -161695.4189 -109149.1875 298.5548 -185.4988 -162.6991 762188.2385 4.0146 3.8266 PRESSURE: 64600 -289.974 80.0426 -15.0984 80.0418 -338.864 119.058 -15.0977 119.057 -393.711 GPRESSURE: 64600 -173.025 6.95248 -50.9639 87.0108 -328.771 94.3933 9.92222 58.9967 -419.606 PRESSAVG: 64600 80.8535 -59.3888 -17.4849 -59.3889 -38.4499 27.5618 -17.4849 27.5617 -28.4083 GPRESSAVG: 64600 81.5837 -60.6888 -20.6123 -59.392 -38.1631 28.6686 -18.3544 26.242 -29.6274 TIMING: 64600 CPU: 203.043, 0.00313063/step Wall: 203.043, 0.00313062/step, 4.29191 hours remaining, 225.195312 MB of memory in use. ENERGY: 64600 3967.1132 20652.8691 14348.1649 264.4462 -203406.8245 2419.4318 0.0000 0.0000 51942.8384 -109811.9610 298.5162 -161754.7993 -109452.0735 298.1799 -340.8497 -307.1340 763867.1909 4.6651 4.5977 PRESSURE: 64800 -1.07578 3.66306 -41.9522 3.66314 -161.475 158.479 -41.9528 158.48 -31.6216 GPRESSURE: 64800 30.3205 -106.885 -84.4663 -115.596 -152.537 109.565 -2.62919 89.8076 5.71477 PRESSAVG: 64800 42.6306 -39.0754 -5.5816 -39.0754 -78.2142 16.102 -5.58164 16.1021 1.70076 GPRESSAVG: 64800 42.1301 -38.9332 -4.90782 -39.4032 -79.001 16.043 -6.61327 17.011 2.65507 TIMING: 64800 CPU: 203.672, 0.00314582/step Wall: 203.672, 0.00314582/step, 4.31257 hours remaining, 225.398438 MB of memory in use. ENERGY: 64800 3994.5865 20528.0427 14455.0426 251.4277 -202954.9782 2375.6696 0.0000 0.0000 51764.4968 -109585.7122 297.4913 -161350.2090 -109220.1625 297.6515 -64.7240 -38.8340 762536.4952 -11.2943 -11.4053 PRESSURE: 65000 72.6008 -172.34 209.536 -172.338 84.9748 -52.9287 209.536 -52.9292 369.782 GPRESSURE: 65000 61.6098 -122.324 256.285 -148.874 143.623 33.4906 145.567 -91.0267 410.292 PRESSAVG: 65000 39.8846 -9.52473 26.0487 -9.52472 -32.0252 -14.5086 26.0488 -14.5086 8.71409 GPRESSAVG: 65000 39.6951 -8.67905 26.54 -8.49982 -31.7301 -13.8559 26.9984 -15.7795 9.21518 TIMING: 65000 CPU: 204.299, 0.00313466/step Wall: 204.299, 0.00313466/step, 4.29709 hours remaining, 225.398438 MB of memory in use. ENERGY: 65000 3950.2206 20488.2120 14443.8765 240.3657 -203440.3641 2787.3225 0.0000 0.0000 52152.0008 -109378.3661 299.7183 -161530.3668 -109012.1966 298.9312 175.7858 205.1750 764244.9491 5.5245 5.7267 PRESSURE: 65200 46.9299 -118.769 50.4582 -118.768 159.444 -4.06234 50.4592 -4.06194 115.135 GPRESSURE: 65200 89.5547 -168.033 56.2353 -121.956 245.832 -12.8206 -74.2715 -96.2325 75.1459 PRESSAVG: 65200 59.9234 -35.5798 -10.0653 -35.5798 -31.7338 -15.0795 -10.0653 -15.0795 -3.56179 GPRESSAVG: 65200 60.8748 -36.1195 -10.1983 -37.3579 -32.1032 -15.3625 -10.3264 -14.7161 -4.08888 TIMING: 65200 CPU: 204.923, 0.00311848/step Wall: 204.923, 0.00311848/step, 4.27474 hours remaining, 225.398438 MB of memory in use. ENERGY: 65200 4060.2032 20537.8540 14369.5409 258.1076 -203680.4174 3072.0908 0.0000 0.0000 52175.6666 -109206.9544 299.8543 -161382.6209 -108838.3326 298.9297 107.1699 136.8443 762755.4025 8.2093 8.2276 PRESSURE: 65400 138.648 81.241 -102.902 81.2406 28.6398 185.408 -102.902 185.408 164.621 GPRESSURE: 65400 70.3077 255.549 -68.4552 76.3931 114.467 242.188 -88.8693 69.1305 220.217 PRESSAVG: 65400 36.018 28.8001 -18.6215 28.8001 -52.9178 -9.88055 -18.6215 -9.88055 -8.66401 GPRESSAVG: 65400 35.9125 28.44 -18.4651 30.5148 -52.1264 -10.2471 -19.2714 -11.0685 -9.15738 TIMING: 65400 CPU: 205.548, 0.00312914/step Wall: 205.548, 0.00312914/step, 4.28918 hours remaining, 225.398438 MB of memory in use. ENERGY: 65400 4000.4175 20716.8660 14348.7182 253.2554 -203611.5342 3072.7825 0.0000 0.0000 52134.0111 -109085.4834 299.6149 -161219.4945 -108726.8034 299.5991 110.6363 134.9970 764467.0551 -8.5213 -8.4571 PRESSURE: 65600 -123.429 -216.357 -152.081 -216.356 -363.232 -46.6087 -152.081 -46.6091 180.035 GPRESSURE: 65600 -106.608 -325.907 -129.381 -93.7698 -301.8 -39.7237 -39.5835 -87.7076 191.075 PRESSAVG: 65600 -10.5191 44.4178 -67.161 44.4178 -48.0751 29.0818 -67.161 29.0819 10.3321 GPRESSAVG: 65600 -11.1964 46.2705 -66.6546 43.716 -46.4055 28.3052 -66.2562 30.8644 9.95879 TIMING: 65600 CPU: 206.172, 0.00311885/step Wall: 206.172, 0.00311885/step, 4.27491 hours remaining, 225.398438 MB of memory in use. ENERGY: 65600 4081.9235 20560.4953 14432.2317 233.9628 -203213.0686 2567.6740 0.0000 0.0000 51948.9097 -109387.8715 298.5511 -161336.7812 -109015.8872 299.5076 -102.2088 -72.4441 763032.0389 -16.0874 -15.8810 PRESSURE: 65800 44.2829 -22.8437 -164.35 -22.842 185.605 18.1326 -164.35 18.1338 -187.387 GPRESSURE: 65800 12.9822 -86.2072 -204.814 -120.442 244.11 84.4448 -105.891 44.862 -131.373 PRESSAVG: 65800 12.4668 8.78635 -75.3268 8.78639 -66.578 -37.2713 -75.3268 -37.2712 11.7 GPRESSAVG: 65800 11.69 7.09869 -74.5932 8.90694 -67.6415 -34.931 -73.0405 -35.82 13.5592 TIMING: 65800 CPU: 206.794, 0.00310941/step Wall: 206.794, 0.00310941/step, 4.2618 hours remaining, 225.398438 MB of memory in use. ENERGY: 65800 3994.6529 20517.1929 14397.8182 231.3997 -203423.8512 2678.7778 0.0000 0.0000 52153.0684 -109450.9413 299.7244 -161604.0097 -109085.3237 299.2242 14.1669 41.9065 763163.7078 -14.1371 -14.1308 PRESSURE: 66000 136.167 -277.434 -188.156 -277.434 56.0072 -12.1823 -188.157 -12.1813 76.5034 GPRESSURE: 66000 181.55 -334.34 -127.171 -272.622 88.625 89.4554 -105.305 -44.9133 91.5086 PRESSAVG: 66000 -28.0257 -13.1705 -26.7844 -13.1705 1.17081 23.9036 -26.7844 23.9036 11.7595 GPRESSAVG: 66000 -26.3393 -12.8136 -28.0176 -12.8981 1.6663 22.7904 -27.9044 21.5812 10.0037 TIMING: 66000 CPU: 207.417, 0.00311502/step Wall: 207.417, 0.00311502/step, 4.26931 hours remaining, 225.398438 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: 66000 4042.4030 20525.8564 14525.5447 251.7544 -203556.8843 2895.9865 0.0000 0.0000 51858.9521 -109456.3871 298.0341 -161315.3392 -109094.2367 299.2801 89.5592 120.5613 763699.5010 -5.0318 -4.8898 PRESSURE: 66200 122.476 146.029 -155.006 146.03 -346.715 -182.548 -155.006 -182.548 -74.4559 GPRESSURE: 66200 122.271 136.591 -245.231 133.457 -213.425 -187.97 -80.7429 -186.329 -139.04 PRESSAVG: 66200 11.6201 4.29444 11.1285 4.29442 10.1742 -31.9898 11.1285 -31.9898 27.9384 GPRESSAVG: 66200 11.0192 4.05525 11.2775 3.50057 10.291 -31.1256 9.36311 -32.937 28.1825 TIMING: 66200 CPU: 208.045, 0.00314136/step Wall: 208.045, 0.00314136/step, 4.30524 hours remaining, 225.398438 MB of memory in use. ENERGY: 66200 4048.2581 20545.0515 14372.5741 223.6455 -203475.5820 2835.7377 0.0000 0.0000 52174.2742 -109276.0409 299.8463 -161450.3151 -108911.8442 298.5491 -99.5649 -76.7314 762532.5690 16.5775 16.4976 PRESSURE: 66400 39.3343 -63.4112 13.0918 -63.4113 280.332 -141.526 13.0925 -141.526 -123.474 GPRESSURE: 66400 162.068 32.3144 66.0639 -111.593 244.216 -57.1918 -12.3816 -128.265 -113.967 PRESSAVG: 66400 -35.419 -0.14363 -55.8618 -0.143685 60.9474 -26.2423 -55.8618 -26.2422 -12.9736 GPRESSAVG: 66400 -34.4411 -1.24063 -55.6954 -0.32541 60.1747 -28.3937 -54.4683 -24.1812 -12.8367 TIMING: 66400 CPU: 208.668, 0.00311255/step Wall: 208.668, 0.00311255/step, 4.26558 hours remaining, 225.398438 MB of memory in use. ENERGY: 66400 4029.1609 20656.9408 14344.7777 246.2602 -203576.6008 2972.5490 0.0000 0.0000 52164.7742 -109162.1381 299.7917 -161326.9123 -108796.5999 298.8887 65.3974 97.4391 760489.1641 4.1849 4.2990 PRESSURE: 66600 -280.588 110.41 -201.419 110.41 -114.865 276.387 -201.419 276.388 -33.9203 GPRESSURE: 66600 -200.876 239.827 -212.315 131.65 -134.846 233.082 -257.872 197.875 -21.2623 PRESSAVG: 66600 12.4636 42.0581 -29.6037 42.058 5.27994 30.7346 -29.6037 30.7345 -7.67787 GPRESSAVG: 66600 12.0735 41.6606 -29.5357 43.8853 5.40832 30.2402 -32.006 30.7322 -7.41706 TIMING: 66600 CPU: 209.293, 0.00312684/step Wall: 209.293, 0.00312684/step, 4.28499 hours remaining, 225.398438 MB of memory in use. ENERGY: 66600 4008.0301 20699.3081 14348.4536 255.4874 -203166.6736 2561.8510 0.0000 0.0000 52135.8253 -109157.7180 299.6253 -161293.5433 -108796.6843 299.3227 -143.1246 -118.9950 760957.0234 3.3552 3.3549 PRESSURE: 66800 -51.3043 64.4859 42.6494 64.4863 116.57 259.149 42.6495 259.148 59.523 GPRESSURE: 66800 0.835207 89.7253 -12.3983 -11.4142 55.7716 299.32 63.8438 174.345 140.921 PRESSAVG: 66800 28.8611 29.8821 1.01369 29.8821 -19.9695 40.4924 1.01373 40.4924 -0.870542 GPRESSAVG: 66800 27.5211 30.4387 -0.851697 28.4202 -19.7877 40.857 0.550221 40.7839 0.0118964 TIMING: 66800 CPU: 209.918, 0.00312285/step Wall: 209.918, 0.00312285/step, 4.27935 hours remaining, 225.453125 MB of memory in use. ENERGY: 66800 3925.2791 20637.1779 14361.1796 241.7731 -202987.5475 2592.1098 0.0000 0.0000 52217.7321 -109012.2960 300.0960 -161230.0281 -108653.3934 299.7202 41.5964 65.8425 761420.6605 2.6737 2.5817 PRESSURE: 67000 128.195 28.7796 -278.365 28.7809 194.394 21.0195 -278.365 21.0209 -390.298 GPRESSURE: 67000 140.576 -47.7036 -209.214 -47.2841 170.21 -14.4555 -257.423 113.714 -277.56 PRESSAVG: 67000 -22.3613 58.157 22.9433 58.157 24.4257 62.5464 22.9433 62.5463 23.564 GPRESSAVG: 67000 -21.2149 58.1837 24.9392 58.0413 24.4662 63.8707 24.1351 61.8555 22.5677 TIMING: 67000 CPU: 210.54, 0.00311213/step Wall: 210.54, 0.00311213/step, 4.26448 hours remaining, 225.453125 MB of memory in use. ENERGY: 67000 3963.0724 20239.4474 14361.4514 251.8166 -202735.9449 2579.0867 0.0000 0.0000 52132.7300 -109208.3406 299.6075 -161341.0706 -108846.2571 299.2211 -22.5700 11.0751 761695.4722 8.5428 8.6063 PRESSURE: 67200 105.897 80.3107 -11.6958 80.3104 -72.0851 -127.632 -11.696 -127.631 -366.704 GPRESSURE: 67200 109.894 159.539 15.2484 -46.5486 -60.0184 -154.177 46.2786 23.4576 -297.191 PRESSAVG: 67200 19.1798 43.3853 -13.1697 43.3853 32.3608 -9.34406 -13.1696 -9.34411 2.80518 GPRESSAVG: 67200 20.5338 44.9392 -13.2049 41.5935 31.4297 -9.81994 -11.7768 -8.65148 2.6181 TIMING: 67200 CPU: 211.166, 0.00313007/step Wall: 211.166, 0.00313007/step, 4.28889 hours remaining, 225.453125 MB of memory in use. ENERGY: 67200 4045.8839 20467.0569 14367.8902 249.8332 -202950.7198 2687.8865 0.0000 0.0000 52159.7167 -108972.4525 299.7626 -161132.1691 -108611.3624 299.3568 -110.9643 -82.4385 761701.2762 18.1153 18.1939 PRESSURE: 67400 59.0399 -63.0837 -163.533 -63.0838 -328.316 115.872 -163.533 115.873 -224.143 GPRESSURE: 67400 -13.18 -78.1477 -227.702 52.0182 -175.73 16.7523 -70.5234 201.594 -212.557 PRESSAVG: 67400 -30.2101 39.7182 1.64172 39.7182 -18.9833 31.6874 1.64168 31.6875 -41.1537 GPRESSAVG: 67400 -32.224 38.5727 1.74329 41.4547 -17.0265 31.2012 1.26906 32.2597 -41.2189 TIMING: 67400 CPU: 211.791, 0.00312341/step Wall: 211.791, 0.00312341/step, 4.2796 hours remaining, 225.453125 MB of memory in use. ENERGY: 67400 3980.5573 20511.9632 14450.4522 226.6614 -202988.4214 2586.2802 0.0000 0.0000 52162.4689 -109070.0381 299.7784 -161232.5070 -108718.7343 299.5514 -164.4731 -133.8223 762684.3434 -30.1157 -30.1565 PRESSURE: 67600 -341.798 56.9037 -91.4992 56.9035 158.719 13.0108 -91.4991 13.0109 60.3699 GPRESSURE: 67600 -237.791 -13.9994 -94.8958 42.4808 102.95 -30.6622 -6.39099 -68.2842 110.296 PRESSAVG: 67600 -13.4386 28.5265 -28.88 28.5265 9.29953 52.4614 -28.88 52.4614 9.45345 GPRESSAVG: 67600 -11.8523 28.1448 -28.8738 27.856 9.02756 53.801 -29.3648 49.3998 9.21347 TIMING: 67600 CPU: 212.413, 0.00311201/step Wall: 212.413, 0.00311201/step, 4.26379 hours remaining, 225.453125 MB of memory in use. ENERGY: 67600 4032.8677 20515.2888 14436.8425 264.9266 -203050.0085 2626.4586 0.0000 0.0000 52115.1166 -109058.5077 299.5063 -161173.6243 -108700.0535 299.8102 -40.9029 -8.1817 764019.4900 1.7715 2.1296 PRESSURE: 67800 -222.283 113.694 -97.0155 113.695 162.22 -162.756 -97.0154 -162.756 -44.0048 GPRESSURE: 67800 -166.521 44.4386 -186.541 2.4429 83.7909 35.4746 -186.887 -141.064 69.6475 PRESSAVG: 67800 10.5278 -19.698 -69.3193 -19.698 9.35318 -0.669263 -69.3194 -0.669273 -11.0379 GPRESSAVG: 67800 9.54738 -19.9277 -69.9234 -20.7203 8.25572 -1.15972 -69.9503 -1.29028 -8.95756 TIMING: 67800 CPU: 213.04, 0.0031314/step Wall: 213.04, 0.0031314/step, 4.2902 hours remaining, 225.453125 MB of memory in use. ENERGY: 67800 4026.3987 20719.1258 14449.0157 235.3593 -203287.8617 2915.0428 0.0000 0.0000 52237.8612 -108705.0582 300.2117 -160942.9194 -108350.2325 300.1865 -34.6894 -4.3609 762503.3399 2.9477 2.9485 PRESSURE: 68000 189.623 -36.8154 -18.0669 -36.816 51.8649 2.63799 -18.0666 2.63882 -346.196 GPRESSURE: 68000 199.933 58.0663 -10.6105 -56.9843 94.8419 -69.4797 -78.3715 -139.657 -315.575 PRESSAVG: 68000 9.29563 -55.9114 -61.7922 -55.9113 -30.408 13.2757 -61.7922 13.2757 4.5605 GPRESSAVG: 68000 11.3756 -55.4787 -61.413 -52.3223 -29.9569 12.0134 -61.745 13.15 2.36845 TIMING: 68000 CPU: 213.667, 0.003138/step Wall: 213.667, 0.003138/step, 4.29905 hours remaining, 225.453125 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: 68000 4067.0159 20539.7489 14491.7056 237.0671 -202831.7453 2653.9521 0.0000 0.0000 52154.2616 -108687.9942 299.7313 -160842.2558 -108330.5387 300.3181 -34.9028 -6.9334 763008.2215 -5.5173 -5.4043 PRESSURE: 68200 26.1244 196.049 51.4044 196.049 -88.2196 -114.424 51.4046 -114.423 543.98 GPRESSURE: 68200 53.2127 191.063 94.4859 151.537 23.5201 -225.676 -66.048 -23.1577 495.504 PRESSAVG: 68200 25.7908 -22.6833 -12.5588 -22.6833 -34.3443 32.4327 -12.5589 32.4327 -3.48452 GPRESSAVG: 68200 24.5466 -21.5645 -11.8317 -25.6586 -32.8492 33.2242 -11.4591 34.3955 -3.19721 TIMING: 68200 CPU: 214.291, 0.00311906/step Wall: 214.291, 0.00311906/step, 4.27293 hours remaining, 225.453125 MB of memory in use. ENERGY: 68200 4027.2765 20429.7702 14450.4662 246.8248 -202866.6851 2649.0323 0.0000 0.0000 52008.2108 -109055.1044 298.8919 -161063.3152 -108693.4140 299.5417 160.6281 190.7456 762766.8346 -4.0127 -3.8333 LDB: ============= START OF LOAD BALANCING ============== 226.821 LDB: ============== END OF LOAD BALANCING =============== 226.822 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 226.823 LDB: ============= START OF LOAD BALANCING ============== 227.139 LDB: Largest compute 7050 load 0.031622 is 16.2% of average load 0.194739 LDB: Average compute 0.004396 is 2.3% of average load 0.194739 LDB: TIME 227.142 LOAD: AVG 0.194739 MAX 0.213036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.109 MB LDB: TIME 227.143 LOAD: AVG 0.194739 MAX 0.213036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.203 MB LDB: TIME 227.143 LOAD: AVG 0.194739 MAX 0.213036 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.203 MB LDB: ============== END OF LOAD BALANCING =============== 227.145 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 227.15 PRESSURE: 68400 -335.069 165.673 132.224 165.672 -94.0057 29.5755 132.226 29.575 117.264 GPRESSURE: 68400 -294.51 75.423 208.644 85.328 -51.7312 29.443 286.585 -84.2872 89.4774 PRESSAVG: 68400 -15.1408 3.41804 -10.6883 3.41803 33.2672 45.3882 -10.6882 45.3883 3.9847 GPRESSAVG: 68400 -13.7227 3.35702 -12.8914 4.63624 32.6813 45.9931 -10.963 42.9433 3.31324 TIMING: 68400 CPU: 214.933, 0.00321198/step Wall: 214.933, 0.00321198/step, 4.40005 hours remaining, 224.597656 MB of memory in use. ENERGY: 68400 4052.4732 20398.3798 14441.8573 245.8975 -203199.4935 2769.6721 0.0000 0.0000 52233.3771 -109057.8366 300.1859 -161291.2136 -108688.5831 299.7137 -103.9368 -85.5879 764650.8029 7.3704 7.4240 PRESSURE: 68600 -188.006 158.254 -189.902 158.254 277.442 219.052 -189.903 219.051 127.806 GPRESSURE: 68600 -183.035 197.25 -74.5844 149.478 261.066 245.522 -43.92 96.5489 206.6 PRESSAVG: 68600 46.8762 18.8121 -1.62999 18.8121 -27.5169 29.4747 -1.63003 29.4747 49.5935 GPRESSAVG: 68600 46.8198 18.0374 0.498658 17.0454 -28.7363 30.1084 -0.829922 31.0895 50.8837 TIMING: 68600 CPU: 215.561, 0.00313831/step Wall: 215.561, 0.00313831/step, 4.29896 hours remaining, 224.894531 MB of memory in use. ENERGY: 68600 4004.0379 20478.6183 14458.2217 242.3237 -203470.6915 2724.6576 0.0000 0.0000 52259.7264 -109303.1059 300.3374 -161562.8323 -108943.0600 299.2816 72.4137 94.8773 764649.6439 22.9843 22.9890 PRESSURE: 68800 -203.863 52.4119 162.251 52.4115 -177.26 -79.732 162.249 -79.7321 -14.6881 GPRESSURE: 68800 -153.554 4.18479 214.813 25.249 -118.488 65.2359 107.814 -156.814 -38.59 PRESSAVG: 68800 -29.698 -33.259 -2.40413 -33.259 7.32643 -35.8238 -2.40416 -35.8239 -12.1954 GPRESSAVG: 68800 -30.0296 -34.2707 -2.71498 -33.452 7.74215 -35.5203 -4.09423 -36.915 -12.9499 TIMING: 68800 CPU: 216.186, 0.00312666/step Wall: 216.186, 0.00312666/step, 4.28282 hours remaining, 224.894531 MB of memory in use. ENERGY: 68800 4031.8726 20529.4097 14500.4625 249.2854 -203128.1789 2579.7583 0.0000 0.0000 51864.5550 -109372.8355 298.0663 -161237.3905 -109006.4011 299.0319 -131.9369 -103.5439 763822.1324 -11.5223 -11.7458 PRESSURE: 69000 -311.468 -150.208 205.822 -150.207 -44.3493 2.21425 205.822 2.21411 84.5401 GPRESSURE: 69000 -223.028 -114.06 241.777 -99.804 -57.3803 27.0438 186.244 72.5273 84.2225 PRESSAVG: 69000 -53.2416 -34.0984 -37.3581 -34.0984 35.7348 7.54719 -37.3581 7.54715 -3.60056 GPRESSAVG: 69000 -54.4735 -31.3332 -36.6119 -32.9068 35.4363 5.74517 -39.1652 10.1203 -2.42887 TIMING: 69000 CPU: 216.81, 0.00311974/step Wall: 216.81, 0.00311974/step, 4.27318 hours remaining, 224.894531 MB of memory in use. ENERGY: 69000 4062.4703 20452.7817 14418.5885 254.8244 -203169.7578 2708.7637 0.0000 0.0000 52057.9494 -109214.3798 299.1778 -161272.3292 -108854.6628 299.1650 -90.4256 -65.3953 761377.0902 -7.0358 -7.1553 PRESSURE: 69200 301.996 -273.104 -196.199 -273.104 -503.498 -6.00341 -196.199 -6.00289 -27.8601 GPRESSURE: 69200 324.539 -169.524 -110.222 -276.729 -301.316 -24.8058 -125.938 28.4124 -154.078 PRESSAVG: 69200 -44.2723 -3.25627 -22.6977 -3.25626 16.7552 -21.4655 -22.6977 -21.4655 7.40191 GPRESSAVG: 69200 -43.4925 -5.20831 -25.8363 -2.31918 17.5002 -20.8135 -19.845 -21.1992 6.36018 TIMING: 69200 CPU: 217.435, 0.00312214/step Wall: 217.435, 0.00312214/step, 4.27629 hours remaining, 224.894531 MB of memory in use. ENERGY: 69200 4016.8702 20590.1733 14483.8411 236.6987 -202959.0805 2384.7794 0.0000 0.0000 52169.6890 -109077.0287 299.8199 -161246.7177 -108713.0606 299.4574 -76.4542 -43.6180 761550.3573 -6.7051 -6.5440 PRESSURE: 69400 -93.4987 -36.1567 -100.394 -36.1571 47.7076 -145.159 -100.395 -145.159 -185.524 GPRESSURE: 69400 -92.4069 -69.4424 14.4744 -8.34692 20.6612 -40.756 -199.957 -97.3472 -67.9211 PRESSAVG: 69400 -77.5992 -7.80001 -12.0626 -7.80004 74.1392 17.4039 -12.0626 17.4039 21.6778 GPRESSAVG: 69400 -77.8848 -8.64845 -10.1421 -7.26365 74.0206 18.556 -13.8759 17.614 22.201 TIMING: 69400 CPU: 218.059, 0.00312244/step Wall: 218.059, 0.00312244/step, 4.27653 hours remaining, 224.894531 MB of memory in use. ENERGY: 69400 4062.5014 20489.1646 14427.2589 248.6025 -203257.7887 2774.9997 0.0000 0.0000 52023.2917 -109231.9698 298.9786 -161255.2615 -108877.9441 299.5321 -77.1052 -46.5556 762361.0057 6.0726 6.1123 PRESSURE: 69600 -337.128 -173.294 -48.6725 -173.294 134.285 45.6165 -48.6719 45.617 209.181 GPRESSURE: 69600 -231.244 -170.599 -21.9537 -49.4865 111.069 31.3465 -76.2806 -61.8144 206.986 PRESSAVG: 69600 7.04001 17.223 -46.3678 17.223 8.01363 31.0001 -46.3679 31.0001 6.34497 GPRESSAVG: 69600 7.98056 18.6442 -46.0394 15.0365 7.11465 28.0704 -47.3915 29.8696 6.64252 TIMING: 69600 CPU: 218.689, 0.00315091/step Wall: 218.689, 0.00315091/step, 4.31534 hours remaining, 224.894531 MB of memory in use. ENERGY: 69600 4003.4750 20577.4249 14425.1810 241.1295 -203636.5051 2853.4228 0.0000 0.0000 52100.9698 -109434.9022 299.4250 -161535.8719 -109068.0455 298.5451 2.1127 28.9371 761494.0981 7.1329 7.2459 PRESSURE: 69800 119.117 -50.5059 -102.648 -50.5055 -108.44 189.905 -102.649 189.906 -306.672 GPRESSURE: 69800 113.443 -21.8475 -74.896 23.0702 -55.4354 138.762 -117.039 126.643 -272.02 PRESSAVG: 69800 -32.2585 -57.9718 24.2518 -57.9718 24.0079 16.2804 24.2517 16.2805 1.68544 GPRESSAVG: 69800 -32.3327 -59.7205 24.9363 -55.556 23.6278 17.3449 27.4227 15.4532 1.80432 TIMING: 69800 CPU: 219.319, 0.00314629/step Wall: 219.319, 0.00314629/step, 4.30885 hours remaining, 224.894531 MB of memory in use. ENERGY: 69800 4116.4373 20402.0933 14452.8811 246.5239 -203539.3004 3032.3436 0.0000 0.0000 51853.8290 -109435.1923 298.0047 -161289.0213 -109076.3555 299.0948 -98.6652 -71.3373 761896.3041 -2.1884 -2.3002 PRESSURE: 70000 -55.1044 35.4078 -1.51271 35.4076 -442.694 8.86378 -1.51248 8.86351 306.092 GPRESSURE: 70000 -74.8684 50.5696 22.326 51.0474 -314.16 -13.9755 -35.8381 27.3384 290.643 PRESSAVG: 70000 -56.0259 -49.6106 -20.3031 -49.6106 41.4801 -11.1643 -20.3031 -11.1643 0.169762 GPRESSAVG: 70000 -56.405 -49.1681 -20.8997 -50.2901 42.308 -10.2401 -21.9444 -9.76908 0.00793069 TIMING: 70000 CPU: 219.944, 0.00312839/step Wall: 219.944, 0.00312839/step, 4.28415 hours remaining, 225.097656 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: 70000 4043.1486 20528.7484 14471.6579 235.6773 -203001.4758 2503.4838 0.0000 0.0000 52044.6239 -109174.1359 299.1012 -161218.7598 -108815.8030 299.3032 -63.9021 -32.7953 760921.4526 -4.7920 -4.6964 PRESSURE: 70200 -60.5433 -29.5076 -88.8875 -29.5084 -126.621 -100.415 -88.8873 -100.416 -392.708 GPRESSURE: 70200 -67.6474 -23.4154 -43.354 69.2813 -135.814 -97.6324 -53.0662 -44.5577 -297.26 PRESSAVG: 70200 -32.7755 -65.9167 8.26072 -65.9167 52.0447 68.3051 8.26071 68.3051 -27.6488 GPRESSAVG: 70200 -34.0491 -66.4897 6.52856 -66.4671 52.9974 69.5381 8.9646 67.702 -27.2172 TIMING: 70200 CPU: 220.572, 0.00313661/step Wall: 220.572, 0.00313661/step, 4.29524 hours remaining, 225.097656 MB of memory in use. ENERGY: 70200 4018.5086 20659.6975 14506.6735 235.8690 -203313.9645 2619.1930 0.0000 0.0000 52100.9420 -109173.0810 299.4248 -161274.0230 -108802.3768 299.2807 -193.2907 -166.9070 761963.8936 -2.7932 -2.7563 PRESSURE: 70400 169.988 -302.182 146.726 -302.183 248.597 121.285 146.726 121.285 -208.443 GPRESSURE: 70400 172.459 -362.745 180.363 -238.116 245.318 122.419 190.924 140.603 -137.991 PRESSAVG: 70400 -7.06274 -33.9883 -28.5742 -33.9883 19.633 6.17691 -28.5742 6.17689 0.0933572 GPRESSAVG: 70400 -5.51545 -33.2407 -28.3437 -34.9586 18.9108 5.10796 -28.8454 6.71395 -0.443151 TIMING: 70400 CPU: 221.202, 0.00314998/step Wall: 221.202, 0.00314998/step, 4.31338 hours remaining, 225.097656 MB of memory in use. ENERGY: 70400 4009.4502 20695.2755 14429.5996 240.9629 -203469.3703 2955.0574 0.0000 0.0000 52149.9509 -108989.0737 299.7065 -161139.0247 -108636.2658 298.8506 70.0476 93.2621 761533.3565 4.2212 4.3174 PRESSURE: 70600 -211.177 -128.177 24.2371 -128.176 232.242 143.375 24.236 143.375 345.185 GPRESSURE: 70600 -189.236 -97.2435 23.6713 -156.932 247.163 169.341 33.9458 30.6101 379.19 PRESSAVG: 70600 -0.0123903 -28.2761 26.2778 -28.2761 24.4558 31.7282 26.2778 31.7283 7.75196 GPRESSAVG: 70600 -0.359533 -27.9655 27.1018 -24.2795 24.5488 32.295 28.1395 30.4336 8.63397 TIMING: 70600 CPU: 221.83, 0.00314302/step Wall: 221.83, 0.00314302/step, 4.30367 hours remaining, 225.097656 MB of memory in use. ENERGY: 70600 4003.2968 20766.7019 14519.6516 231.7262 -203372.5596 2771.3391 0.0000 0.0000 51975.2580 -109104.5859 298.7025 -161079.8439 -108747.5581 299.4313 122.0834 145.7057 763009.4883 10.7318 10.9411 PRESSURE: 70800 -270.564 -76.5601 269.549 -76.5602 -159.814 47.2882 269.55 47.2878 -342.33 GPRESSURE: 70800 -131.456 -100.83 264.98 -76.931 -156.839 68.5049 188.213 72.4764 -399.856 PRESSAVG: 70800 -17.1627 8.86258 18.9079 8.86265 21.2651 27.9511 18.9079 27.9511 2.43496 GPRESSAVG: 70800 -16.0306 8.21818 16.727 4.28634 20.2076 28.4624 16.3767 26.2774 1.64026 TIMING: 70800 CPU: 222.456, 0.00313052/step Wall: 222.456, 0.00313052/step, 4.28638 hours remaining, 225.097656 MB of memory in use. ENERGY: 70800 4075.2890 20647.7244 14489.3311 257.5636 -203465.3486 2949.6518 0.0000 0.0000 52145.4927 -108900.2960 299.6809 -161045.7887 -108541.5167 299.8317 -257.5692 -229.3837 762954.3028 2.1791 1.9391 PRESSURE: 71000 74.3469 -46.8848 135.508 -46.8852 134.858 96.7347 135.508 96.7348 329.261 GPRESSURE: 71000 135.934 8.03452 170.75 -53.7206 127.669 92.8958 119.796 110.299 369.169 PRESSAVG: 71000 16.4373 19.9725 -14.9379 19.9724 33.4164 17.1454 -14.9378 17.1453 -3.08789 GPRESSAVG: 71000 15.0357 18.6537 -13.6769 21.7736 34.2062 16.1076 -13.4443 19.0753 -3.29688 TIMING: 71000 CPU: 223.087, 0.00315286/step Wall: 223.087, 0.00315286/step, 4.31679 hours remaining, 225.097656 MB of memory in use. ENERGY: 71000 4008.1096 20706.7305 14488.4588 253.0361 -202946.0336 2677.3056 0.0000 0.0000 52006.3138 -108806.0792 298.8810 -160812.3930 -108440.8816 300.4552 179.4886 210.9238 763717.3708 15.5886 15.3150 PRESSURE: 71200 -281.465 -102.36 35.5942 -102.36 -149.661 73.4864 35.5938 73.4856 149.847 GPRESSURE: 71200 -188.288 -44.9562 33.6917 -1.28546 -84.2888 98.1469 -53.6301 175.652 82.4761 PRESSAVG: 71200 -3.98851 77.7022 -3.97995 77.7021 -19.6894 -13.7651 -3.97998 -13.7651 7.07994 GPRESSAVG: 71200 -3.52124 80.3434 -3.17757 77.4804 -19.3043 -13.6541 -4.85428 -11.8002 6.55017 TIMING: 71200 CPU: 223.718, 0.00315352/step Wall: 223.718, 0.00315352/step, 4.31752 hours remaining, 225.097656 MB of memory in use. ENERGY: 71200 4021.9933 20568.3938 14499.1650 236.7036 -202926.0929 2660.2887 0.0000 0.0000 52034.2076 -108905.3408 299.0413 -160939.5484 -108542.3034 299.9978 -93.7598 -63.3668 763781.4893 -5.5327 -5.4251 PRESSURE: 71400 -88.8436 148.725 -65.0394 148.725 70.7971 -154.34 -65.0388 -154.34 -291.185 GPRESSURE: 71400 -59.8373 134.984 -149.277 24.0414 91.142 -167.45 -97.885 -157.884 -254.809 PRESSAVG: 71400 -5.77987 18.7641 -69.4706 18.7641 -16.7493 54.919 -69.4706 54.9189 19.5827 GPRESSAVG: 71400 -5.70712 17.3456 -70.5209 17.5976 -16.3853 54.9824 -69.1116 53.5027 19.6362 TIMING: 71400 CPU: 224.344, 0.00312938/step Wall: 224.344, 0.00312938/step, 4.28429 hours remaining, 225.097656 MB of memory in use. ENERGY: 71400 3976.8468 20604.7347 14441.6632 246.4964 -202764.3598 2632.8246 0.0000 0.0000 52033.1454 -108828.6486 299.0352 -160861.7941 -108468.0600 299.4078 -103.0770 -74.5015 764886.0693 -0.9821 -0.8187 PRESSURE: 71600 -104.095 8.96351 -36.3436 8.96431 -64.9038 -111.933 -36.3432 -111.934 268.317 GPRESSURE: 71600 23.3759 50.7936 -11.6518 -34.9384 -49.8611 -132.934 -81.2862 -81.153 231.018 PRESSAVG: 71600 30.3046 -19.854 3.94903 -19.854 -48.9698 -27.0754 3.94902 -27.0754 15.597 GPRESSAVG: 71600 31.4573 -19.9008 3.67097 -19.6044 -49.0742 -27.3557 2.93809 -27.6355 15.1558 TIMING: 71600 CPU: 224.969, 0.0031283/step Wall: 224.969, 0.0031283/step, 4.28265 hours remaining, 225.097656 MB of memory in use. ENERGY: 71600 3991.5914 20530.8536 14484.2867 247.8636 -203446.1012 2910.6169 0.0000 0.0000 52447.9022 -108832.9868 301.4188 -161280.8890 -108465.7206 299.8410 33.1062 68.1774 762413.3292 -1.0228 -0.8204 PRESSURE: 71800 38.073 86.5113 149.42 86.511 -145.104 211.941 149.42 211.94 -17.2294 GPRESSURE: 71800 47.7979 88.468 151.807 46.6275 -120.276 242.51 194.368 122.263 27.4101 PRESSAVG: 71800 29.4649 49.7663 61.8446 49.7663 -14.7587 45.4181 61.8446 45.4181 -4.45748 GPRESSAVG: 71800 28.7358 48.9426 62.0855 49.1985 -14.6928 43.7541 63.3245 45.5276 -3.58619 TIMING: 71800 CPU: 225.594, 0.00312587/step Wall: 225.594, 0.00312587/step, 4.27914 hours remaining, 225.097656 MB of memory in use. ENERGY: 71800 4034.6251 20490.5998 14520.8380 231.5946 -202905.3492 2750.0408 0.0000 0.0000 52102.7903 -108774.8606 299.4355 -160877.6509 -108410.6305 300.0113 -41.4202 -15.0226 762989.0323 3.4163 3.4856 PRESSURE: 72000 -34.4631 -17.9486 105.933 -17.9488 79.2767 37.806 105.933 37.8068 476.806 GPRESSURE: 72000 40.4612 96.2201 43.8523 -32.2997 135.933 15.6667 161.715 88.87 424.048 PRESSAVG: 72000 -5.7868 45.0551 15.4648 45.0551 30.6115 13.2411 15.4648 13.241 -2.37784 GPRESSAVG: 72000 -6.91006 44.2969 15.4516 45.4486 30.4152 15.4558 13.881 13.7765 -1.18159 TIMING: 72000 CPU: 226.226, 0.00315736/step Wall: 226.226, 0.00315736/step, 4.32207 hours remaining, 225.097656 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: 72000 4039.3529 20527.5697 14424.7151 251.9113 -203165.0666 2839.9487 0.0000 0.0000 52203.4766 -108878.0923 300.0141 -161081.5689 -108520.0733 300.1466 173.8731 200.1474 763219.0474 7.4823 7.4412 PRESSURE: 72200 -229.73 33.1099 -32.9364 33.1106 -152.003 166.944 -32.9358 166.945 206.634 GPRESSURE: 72200 -272.88 72.4691 -143.312 92.9807 -88.4982 179.179 69.445 102.806 244.162 PRESSAVG: 72200 -7.11955 15.4131 9.2439 15.4131 40.2411 -11.266 9.24388 -11.266 8.57366 GPRESSAVG: 72200 -6.46378 15.5736 10.1734 17.2554 38.6977 -10.144 9.72884 -11.8719 9.26701 TIMING: 72200 CPU: 226.854, 0.00314126/step Wall: 226.854, 0.00314126/step, 4.29986 hours remaining, 225.097656 MB of memory in use. ENERGY: 72200 4023.2709 20721.9246 14439.4122 246.5795 -203219.1062 2588.7936 0.0000 0.0000 52138.0602 -109061.0652 299.6381 -161199.1254 -108708.4625 299.7886 -58.3665 -39.0719 761423.4444 13.8984 13.8336 LDB: ============= START OF LOAD BALANCING ============== 239.386 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 239.386 LDB: =============== DONE WITH MIGRATION ================ 239.387 LDB: ============= START OF LOAD BALANCING ============== 239.701 LDB: Largest compute 7026 load 0.030635 is 15.7% of average load 0.194806 LDB: Average compute 0.004389 is 2.3% of average load 0.194806 LDB: TIME 239.704 LOAD: AVG 0.194806 MAX 0.217918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.742 MB LDB: TIME 239.704 LOAD: AVG 0.194806 MAX 0.217918 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.809 MB LDB: TIME 239.704 LOAD: AVG 0.194806 MAX 0.216083 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.809 MB LDB: ============== END OF LOAD BALANCING =============== 239.707 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 239.712 PRESSURE: 72400 -176.043 -35.0204 274.459 -35.0207 -29.3847 141.75 274.458 141.751 -105.359 GPRESSURE: 72400 -123.667 -74.629 178.555 -7.98306 -11.0861 109.421 251.441 154.556 -81.1329 PRESSAVG: 72400 -24.4866 23.6119 22.5153 23.6119 39.7918 -40.8957 22.5153 -40.8957 12.1193 GPRESSAVG: 72400 -24.2332 23.8709 22.0668 22.8809 41.4195 -40.7582 22.5622 -41.439 10.7086 TIMING: 72400 CPU: 227.495, 0.00320309/step Wall: 227.495, 0.00320309/step, 4.38432 hours remaining, 224.316406 MB of memory in use. ENERGY: 72400 4005.1913 20509.2142 14436.0671 258.4827 -202893.7378 2714.0633 0.0000 0.0000 52132.8738 -108837.8453 299.6083 -160970.7191 -108466.5778 299.7747 -103.5954 -71.9621 763270.3133 9.1415 9.2983 PRESSURE: 72600 -301.249 -15.1257 -44.9235 -15.1264 -57.2275 -206.792 -44.9236 -206.792 -261.526 GPRESSURE: 72600 -294.387 -56.5851 -81.7101 -112.731 23.9372 -211.263 90.8901 -243.58 -255.582 PRESSAVG: 72600 -81.2065 19.2377 23.0117 19.2377 56.9557 -37.5535 23.0117 -37.5535 -3.77861 GPRESSAVG: 72600 -80.9266 19.2409 23.8721 17.0385 56.2649 -40.0434 23.4288 -38.8868 -3.56041 TIMING: 72600 CPU: 228.124, 0.00314538/step Wall: 228.124, 0.00314538/step, 4.30515 hours remaining, 224.519531 MB of memory in use. ENERGY: 72600 4030.2365 20550.2687 14416.8023 242.1956 -202853.4516 2450.0485 0.0000 0.0000 52195.9705 -108967.9295 299.9710 -161163.9000 -108604.0309 299.8300 -206.6673 -175.3439 764168.8270 -9.3431 -9.4074 PRESSURE: 72800 -109.565 -35.9977 -205.619 -35.9981 -111.906 -175.468 -205.619 -175.467 -203.532 GPRESSURE: 72800 -90.0554 -169.738 -261.27 -43.3511 -132.08 -163.057 -114.639 -112.482 -127.352 PRESSAVG: 72800 -52.1493 20.882 4.05932 20.882 23.1841 -34.1106 4.05934 -34.1106 -2.39318 GPRESSAVG: 72800 -52.7259 21.5077 4.18277 21.3922 23.0522 -33.7285 2.93745 -31.5889 -1.28021 TIMING: 72800 CPU: 228.751, 0.00313725/step Wall: 228.751, 0.00313725/step, 4.29385 hours remaining, 224.812500 MB of memory in use. ENERGY: 72800 4017.1294 20463.2901 14420.2905 235.4569 -202466.3085 2274.3989 0.0000 0.0000 51977.9911 -109077.7514 298.7182 -161055.7425 -108714.3036 299.0140 -141.6675 -116.4960 763438.5078 -10.4528 -10.3180 PRESSURE: 73000 -86.4579 86.0634 -64.9435 86.0639 -122.198 77.1735 -64.9431 77.1724 52.6864 GPRESSURE: 73000 -75.3113 96.6692 -32.8798 197.719 -80.9972 19.5955 -71.5896 8.05914 90.6556 PRESSAVG: 73000 -13.9651 43.3725 15.8069 43.3725 14.041 52.0971 15.8069 52.0971 18.4985 GPRESSAVG: 73000 -13.8084 41.2514 15.8423 45.2052 15.7548 53.0073 17.1542 51.326 16.8534 TIMING: 73000 CPU: 229.373, 0.00310948/step Wall: 229.373, 0.00310948/step, 4.25567 hours remaining, 224.812500 MB of memory in use. ENERGY: 73000 4074.5112 20259.6520 14414.5929 246.3639 -203562.4855 3032.2107 0.0000 0.0000 52240.7159 -109294.4389 300.2281 -161535.1548 -108922.1795 299.2556 -51.9899 -21.8843 762112.0278 6.1915 6.2666 PRESSURE: 73200 -91.3662 -25.5935 78.6391 -25.5922 4.53414 -162.377 78.6396 -162.377 270.754 GPRESSURE: 73200 -179.978 -111.95 97.227 -12.0838 144.534 -175.032 7.07415 -69.4593 320.285 PRESSAVG: 73200 -24.3033 40.9331 26.7379 40.9331 59.1414 -20.4437 26.7379 -20.4438 22.7772 GPRESSAVG: 73200 -23.7814 42.0059 25.442 40.035 58.3353 -20.8481 26.2986 -23.1023 23.2529 TIMING: 73200 CPU: 229.997, 0.00312117/step Wall: 229.997, 0.00312117/step, 4.27149 hours remaining, 224.812500 MB of memory in use. ENERGY: 73200 3880.4198 20648.9130 14467.6030 257.9348 -203253.4369 2761.8344 0.0000 0.0000 52278.4115 -108958.3203 300.4447 -161236.7318 -108588.2733 299.2785 61.3072 94.9468 762946.0257 19.2051 19.2689 PRESSURE: 73400 122.536 -193.678 180.807 -193.678 363.159 71.9396 180.807 71.9393 100.447 GPRESSURE: 73400 178.957 -216.378 235.539 -148.25 359.686 128.625 100.179 49.82 140.78 PRESSAVG: 73400 -47.229 -3.42482 -20.2529 -3.42475 23.7927 -0.819015 -20.2529 -0.819158 1.91114 GPRESSAVG: 73400 -48.2425 -4.26778 -19.8646 -3.9278 24.6681 -0.262858 -20.2475 1.74652 2.2348 TIMING: 73400 CPU: 230.626, 0.0031432/step Wall: 230.626, 0.0031432/step, 4.30147 hours remaining, 224.812500 MB of memory in use. ENERGY: 73400 3977.3613 20648.1891 14437.8396 257.8655 -203142.0683 2831.7916 0.0000 0.0000 52194.5921 -108794.4293 299.9630 -160989.0213 -108429.9773 299.5575 195.3809 226.4746 762280.7101 -7.1751 -7.1132 PRESSURE: 73600 -132.472 -259.904 88.6603 -259.904 96.6931 -57.7635 88.6606 -57.7616 32.323 GPRESSURE: 73600 20.1084 -195.575 24.0774 -283.976 42.0819 -124.104 99.3905 -14.9613 45.3235 PRESSAVG: 73600 -45.075 -16.9733 -38.9208 -16.9733 55.6558 -15.4504 -38.9208 -15.4505 11.6105 GPRESSAVG: 73600 -42.497 -15.7272 -38.6973 -17.4055 54.8451 -16.0276 -38.8422 -14.5833 10.2123 TIMING: 73600 CPU: 231.257, 0.00315282/step Wall: 231.257, 0.00315282/step, 4.31446 hours remaining, 224.824219 MB of memory in use. ENERGY: 73600 3993.2555 20504.2338 14500.3593 237.0927 -203194.4805 2821.7666 0.0000 0.0000 52378.4683 -108759.3043 301.0198 -161137.7726 -108393.3994 299.8850 -1.1521 35.8379 762138.8213 7.3971 7.5201 PRESSURE: 73800 -112.003 -70.4815 -168.108 -70.4811 60.1766 -43.92 -168.109 -43.919 -98.5855 GPRESSURE: 73800 -173.313 -98.3112 -236.978 -113.845 167.359 -93.1713 -97.5557 -40.2621 -58.6096 PRESSAVG: 73800 -47.9874 -11.2576 -1.17945 -11.2575 29.9651 -14.6893 -1.17944 -14.6893 -5.97823 GPRESSAVG: 73800 -48.7771 -10.0908 -1.45866 -9.89875 31.5225 -14.7883 0.00548469 -15.6284 -6.62127 TIMING: 73800 CPU: 231.88, 0.00311575/step Wall: 231.88, 0.00311575/step, 4.26355 hours remaining, 224.824219 MB of memory in use. ENERGY: 73800 3953.7233 20523.0315 14503.4055 253.9418 -203087.4111 2705.1707 0.0000 0.0000 52237.2381 -108910.9002 300.2081 -161148.1383 -108541.5985 300.6147 -50.1373 -21.5211 763488.0844 -8.0002 -7.9586 PRESSURE: 74000 -256.588 157.644 -90.7148 157.644 -54.4957 264.547 -90.7147 264.548 -256.96 GPRESSURE: 74000 -235.113 185.07 -98.3236 50.2651 -65.1203 356.316 -40.964 222.714 -196.337 PRESSAVG: 74000 35.827 -53.7656 -12.8602 -53.7656 -14.9095 18.2252 -12.8601 18.2251 -0.535606 GPRESSAVG: 74000 36.1244 -55.7253 -14.1625 -54.2818 -16.7657 17.5279 -14.0614 17.612 1.18032 TIMING: 74000 CPU: 232.508, 0.00314039/step Wall: 232.508, 0.00314039/step, 4.29711 hours remaining, 224.824219 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: 74000 4155.1863 20481.2409 14461.5437 248.1831 -203059.9164 2480.2666 0.0000 0.0000 52370.1941 -108863.3017 300.9722 -161233.4958 -108497.5457 300.3899 -189.3479 -165.5236 761866.2012 6.7940 6.8464 PRESSURE: 74200 -345.996 -70.19 -5.66466 -70.1895 48.0182 -189.413 -5.6637 -189.413 -710.342 GPRESSURE: 74200 -265.626 -123.763 -44.816 4.2808 64.0792 -137.102 83.4201 -43.3784 -728.286 PRESSAVG: 74200 13.365 4.712 -11.0796 4.71196 10.8944 0.999049 -11.0796 0.998992 1.3541 GPRESSAVG: 74200 13.2247 3.96463 -9.64362 4.07343 12.279 -0.0786017 -11.162 4.31278 0.0976121 TIMING: 74200 CPU: 233.131, 0.00311629/step Wall: 233.131, 0.00311629/step, 4.26395 hours remaining, 224.824219 MB of memory in use. ENERGY: 74200 4026.3606 20626.2183 14489.0474 238.8604 -203253.1164 2546.0139 0.0000 0.0000 52044.1532 -109282.4626 299.0985 -161326.6158 -108919.7513 299.6224 -336.1066 -309.9443 762693.5311 8.5378 8.5338 PRESSURE: 74400 -38.6973 -145.496 -53.4488 -145.496 137.305 -98.7832 -53.4493 -98.7825 205.02 GPRESSURE: 74400 -30.253 -61.3295 -22.2794 -200.62 222.701 -41.8201 -11.4567 -155.551 171.15 PRESSAVG: 74400 -43.9922 -27.2226 55.1272 -27.2226 40.0824 -16.707 55.1272 -16.7069 1.41173 GPRESSAVG: 74400 -44.1876 -27.7283 54.1138 -26.0086 39.5815 -16.2516 57.0752 -16.9357 1.87495 TIMING: 74400 CPU: 233.757, 0.00313077/step Wall: 233.757, 0.00313077/step, 4.2836 hours remaining, 224.824219 MB of memory in use. ENERGY: 74400 3985.9481 20529.5475 14376.9404 265.2104 -203549.3174 2838.2376 0.0000 0.0000 52131.1217 -109422.3119 299.5983 -161553.4335 -109053.0625 299.2837 101.2094 121.1992 761020.9790 -0.8327 -0.9104 PRESSURE: 74600 -72.0752 -68.5794 30.3996 -68.5797 66.6169 20.9915 30.4005 20.9913 -617.573 GPRESSURE: 74600 -57.9179 -173.517 24.134 -106.387 74.98 -32.5853 133.494 -24.7447 -533.817 PRESSAVG: 74600 7.09871 -16.6718 45.4588 -16.6719 2.15447 5.91084 45.4588 5.9108 -7.16834 GPRESSAVG: 74600 6.89109 -14.4019 45.7376 -14.6653 2.08836 7.63058 43.4139 4.11296 -6.70785 TIMING: 74600 CPU: 234.385, 0.00313802/step Wall: 234.385, 0.00313802/step, 4.29334 hours remaining, 224.824219 MB of memory in use. ENERGY: 74600 3988.6389 20459.0614 14399.5466 243.5997 -203732.0200 2902.9262 0.0000 0.0000 52240.5296 -109497.7176 300.2270 -161738.2472 -109125.0546 299.1118 -207.6772 -172.2515 759669.6369 0.6949 0.7572 PRESSURE: 74800 192.776 -45.1021 -134.926 -45.1027 -36.0828 103.174 -134.926 103.174 -51.3946 GPRESSURE: 74800 136.327 -53.0197 -46.0195 -12.0995 134.676 134.305 -86.5353 70.5717 -58.0768 PRESSAVG: 74800 -33.9716 40.6657 -5.3943 40.6657 14.7587 12.6861 -5.3943 12.6862 -15.3447 GPRESSAVG: 74800 -33.8391 38.3781 -6.57784 39.5576 14.3496 11.5299 -3.52027 10.9571 -14.9353 TIMING: 74800 CPU: 235.014, 0.00314433/step Wall: 235.014, 0.00314433/step, 4.30179 hours remaining, 224.824219 MB of memory in use. ENERGY: 74800 3989.9955 20734.6598 14323.2220 237.5665 -203049.9257 2639.5429 0.0000 0.0000 51849.2975 -109275.6415 297.9786 -161124.9390 -108913.1481 298.7851 35.0995 70.9756 762768.0153 -11.5192 -11.4750 PRESSURE: 75000 -279.641 -54.5521 79.9976 -54.5517 39.0633 12.1046 79.9982 12.1055 -183.888 GPRESSURE: 75000 -243.318 31.6988 69.9198 -72.0658 70.8582 -17.0172 21.646 12.6185 -186.36 PRESSAVG: 75000 -14.0956 27.0431 73.3899 27.043 4.88747 -20.3691 73.3899 -20.3692 -13.2899 GPRESSAVG: 75000 -13.8173 27.3342 73.0567 26.01 6.34948 -21.583 72.6154 -16.0066 -14.8934 TIMING: 75000 CPU: 235.639, 0.00312653/step Wall: 235.639, 0.00312653/step, 4.27726 hours remaining, 224.824219 MB of memory in use. ENERGY: 75000 4009.2828 20775.8553 14446.0289 260.6448 -203493.6414 2739.7329 0.0000 0.0000 52093.4595 -109168.6373 299.3818 -161262.0968 -108792.7106 299.0097 -141.4884 -119.6067 762882.6076 -7.4994 -7.4537 PRESSURE: 75200 78.3231 -266.665 37.7294 -266.664 411.544 208.317 37.7296 208.318 107.436 GPRESSURE: 75200 150.604 -250.468 7.88188 -302.861 383.39 277.443 172.259 129.045 120.209 PRESSAVG: 75200 4.05773 -1.84526 5.6206 -1.84532 42.7188 -21.1 5.62059 -21.1 -0.746531 GPRESSAVG: 75200 3.54984 -1.7313 6.67593 -1.44368 41.5027 -18.7923 4.69785 -25.5415 1.0445 TIMING: 75200 CPU: 236.27, 0.00315579/step Wall: 236.27, 0.00315579/step, 4.31712 hours remaining, 224.824219 MB of memory in use. ENERGY: 75200 3961.3532 20681.7473 14425.2953 246.5576 -203459.1260 2985.1069 0.0000 0.0000 52073.3506 -109085.7151 299.2663 -161159.0658 -108723.9660 299.3058 199.1010 218.0675 761616.2337 15.3433 15.3657 PRESSURE: 75400 -64.0873 -221.992 80.8021 -221.992 203.802 77.9429 80.8029 77.9433 -23.2053 GPRESSURE: 75400 11.6954 -233.264 -1.44627 -183.484 207.607 62.2945 96.7511 -31.0329 -26.9302 PRESSAVG: 75400 -11.6845 -67.3709 57.7573 -67.371 18.8258 11.6872 57.7573 11.6871 2.23349 GPRESSAVG: 75400 -11.6452 -66.4729 57.9095 -68.0511 18.763 11.1403 58.2022 13.4588 1.88348 TIMING: 75400 CPU: 236.901, 0.00315212/step Wall: 236.901, 0.00315212/step, 4.31193 hours remaining, 224.824219 MB of memory in use. ENERGY: 75400 4044.2829 20553.6503 14409.5885 230.5901 -203102.5521 2802.3608 0.0000 0.0000 52080.8406 -108981.2389 299.3093 -161062.0795 -108622.1381 299.7325 38.8365 64.1239 763786.3238 3.1249 3.0004 PRESSURE: 75600 -124.574 -257.751 75.4293 -257.752 -232.22 92.6493 75.43 92.6493 -171.217 GPRESSURE: 75600 -108.667 -223.349 71.5463 -204.081 -144.708 89.7366 61.7798 -64.9791 -204.38 PRESSAVG: 75600 -42.7117 -62.4429 24.6043 -62.4429 13.24 -15.0581 24.6042 -15.0581 -2.41673 GPRESSAVG: 75600 -42.6416 -61.2651 25.2705 -62.6786 13.7122 -13.6998 23.4574 -16.9722 -3.0451 TIMING: 75600 CPU: 237.528, 0.0031347/step Wall: 237.528, 0.0031347/step, 4.28792 hours remaining, 224.824219 MB of memory in use. ENERGY: 75600 3996.9521 20487.0641 14472.0511 237.1597 -202766.5765 2410.2885 0.0000 0.0000 52327.6378 -108835.4233 300.7277 -161163.0611 -108464.6533 299.6045 -176.0037 -152.5850 762253.4446 -10.6295 -10.6582 PRESSURE: 75800 -190.039 -201.821 -70.5501 -201.821 76.7191 -122.295 -70.5498 -122.294 -278.6 GPRESSURE: 75800 -85.8542 -113.94 -111.704 -104.184 40.8457 -76.2742 -99.0993 -89.3513 -267.871 PRESSAVG: 75800 -7.44951 -14.1334 1.25672 -14.1333 7.33943 -10.0578 1.25674 -10.0578 -31.3626 GPRESSAVG: 75800 -6.34495 -15.2809 0.77253 -14.3514 6.19653 -11.8716 3.0742 -8.4347 -31.7804 TIMING: 75800 CPU: 238.155, 0.00313814/step Wall: 238.155, 0.00313814/step, 4.29246 hours remaining, 224.824219 MB of memory in use. ENERGY: 75800 3970.0190 20615.4983 14420.3918 259.8105 -202495.6407 2315.9036 0.0000 0.0000 52303.0334 -108610.9842 300.5863 -160914.0176 -108242.6123 300.0945 -130.6399 -104.2932 763867.1038 -10.4909 -10.6430 PRESSURE: 76000 -193.789 -31.973 177.918 -31.9729 491.061 165.209 177.918 165.21 161.392 GPRESSURE: 76000 -206.736 -49.5636 100.237 -2.88875 509.572 152.783 257.537 217.362 243.439 PRESSAVG: 76000 -18.9536 -34.1655 18.85 -34.1654 21.7851 -20.9034 18.8501 -20.9033 -18.6776 GPRESSAVG: 76000 -20.8086 -34.1495 19.3038 -34.9386 22.3962 -20.5372 18.2717 -21.2417 -17.1312 TIMING: 76000 CPU: 238.785, 0.00314996/step Wall: 238.785, 0.00314996/step, 4.30844 hours remaining, 224.824219 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: 76000 4061.5837 20648.3489 14495.2764 253.4749 -203235.1605 3147.6196 0.0000 0.0000 51809.1831 -108819.6739 297.7481 -160628.8570 -108462.5317 300.0312 152.8882 182.0915 764417.6367 -5.2820 -5.1812 PRESSURE: 76200 -310.092 -32.2874 16.153 -32.2872 -449.203 19.9152 16.152 19.9149 -73.6872 GPRESSURE: 76200 -254.063 -41.6631 -20.7649 16.7838 -390.169 81.5903 50.8601 -11.3595 -104.136 PRESSAVG: 76200 -29.8911 7.49638 28.796 7.49638 19.6986 -2.85121 28.796 -2.85123 -3.79607 GPRESSAVG: 76200 -29.2929 6.17943 30.1564 8.41741 21.4276 -2.70003 27.4955 -1.43216 -6.25342 TIMING: 76200 CPU: 239.413, 0.00314038/step Wall: 239.413, 0.00314038/step, 4.29517 hours remaining, 224.824219 MB of memory in use. ENERGY: 76200 3995.1038 20450.9739 14472.4080 252.2420 -202838.1230 2604.2080 0.0000 0.0000 52344.6806 -108718.5067 300.8256 -161063.1872 -108355.4643 299.4309 -277.6607 -249.4562 763268.9335 -4.6628 -4.7063 LDB: ============= START OF LOAD BALANCING ============== 251.946 LDB: ============== END OF LOAD BALANCING =============== 251.947 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 251.948 LDB: ============= START OF LOAD BALANCING ============== 252.264 LDB: Largest compute 7026 load 0.031998 is 16.4% of average load 0.194779 LDB: Average compute 0.004385 is 2.3% of average load 0.194779 LDB: TIME 252.267 LOAD: AVG 0.194779 MAX 0.215797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 225.266 MB LDB: TIME 252.267 LOAD: AVG 0.194779 MAX 0.215797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.379 MB LDB: TIME 252.267 LOAD: AVG 0.194779 MAX 0.215797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 225.379 MB LDB: ============== END OF LOAD BALANCING =============== 252.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 252.274 PRESSURE: 76400 -396.004 22.7229 5.02622 22.7232 -65.3159 16.1608 5.02608 16.1617 215.64 GPRESSURE: 76400 -253.993 -27.309 -29.3991 50.7181 -74.0598 -8.02387 18.5343 -1.05706 161.176 PRESSAVG: 76400 3.26488 -24.3326 -2.54014 -24.3325 5.36929 -15.8363 -2.54012 -15.8364 -2.51824 GPRESSAVG: 76400 3.49064 -23.7982 -4.7264 -24.2701 4.417 -16.1591 -1.77578 -15.8095 -1.89373 TIMING: 76400 CPU: 240.057, 0.00322073/step Wall: 240.057, 0.00322073/step, 4.40489 hours remaining, 225.265625 MB of memory in use. ENERGY: 76400 4084.8245 20410.1201 14480.0652 259.6711 -203000.5574 2544.6393 0.0000 0.0000 52296.2246 -108925.0126 300.5471 -161221.2371 -108554.8722 299.7861 -81.8931 -55.6257 763861.8405 2.0386 2.0046 PRESSURE: 76600 319.1 183.021 29.3867 183.021 -201.336 -132.013 29.3864 -132.013 196.673 GPRESSURE: 76600 295.572 255.576 80.2152 199.14 -112.379 -126.739 88.7074 -117.053 205.53 PRESSAVG: 76600 -34.3603 -2.15951 -8.05002 -2.15957 48.3482 35.7314 -8.05001 35.7313 1.18805 GPRESSAVG: 76600 -34.9134 -0.949893 -6.35189 -2.12484 47.9049 34.9425 -9.10774 34.653 1.693 TIMING: 76600 CPU: 240.686, 0.00314382/step Wall: 240.686, 0.00314383/step, 4.29953 hours remaining, 225.558594 MB of memory in use. ENERGY: 76600 4036.8056 20692.4921 14462.5081 238.7593 -203378.1559 2926.2435 0.0000 0.0000 52124.8231 -108896.5242 299.5621 -161021.3473 -108541.7449 299.5228 104.8122 129.5740 762909.4579 5.0587 4.8948 PRESSURE: 76800 185.411 312.976 136.533 312.976 -161.347 17.4485 136.534 17.4489 79.0997 GPRESSURE: 76800 217.363 270.871 56.3263 398.24 -148.217 103.177 130.469 98.775 102.545 PRESSAVG: 76800 -15.6753 18.7805 0.594308 18.7805 63.0194 7.66411 0.594216 7.66412 -23.1992 GPRESSAVG: 76800 -16.2096 16.2032 -0.13725 17.6458 62.6107 8.13589 -0.878988 6.93933 -22.2031 TIMING: 76800 CPU: 241.314, 0.0031389/step Wall: 241.314, 0.0031389/step, 4.29263 hours remaining, 225.558594 MB of memory in use. ENERGY: 76800 4005.8653 20689.1325 14428.9357 225.5005 -203159.7398 2799.0996 0.0000 0.0000 52114.4384 -108896.7679 299.5024 -161011.2063 -108532.2551 299.9546 34.3876 57.2301 764446.5514 8.0483 8.0660 PRESSURE: 77000 -26.1801 -48.018 16.0138 -48.0183 -58.1303 32.2688 16.0141 32.2681 -452.881 GPRESSURE: 77000 66.2163 -64.6974 29.5499 -13.2552 -81.5053 1.82083 -52.0981 14.5646 -436.693 PRESSAVG: 77000 18.855 -1.92471 35.1293 -1.92467 -16.5099 22.4714 35.1293 22.4715 6.21153 GPRESSAVG: 77000 19.5616 -0.777757 33.9888 -0.369278 -17.2272 20.6541 36.5811 25.3306 5.61712 TIMING: 77000 CPU: 241.942, 0.00313999/step Wall: 241.942, 0.00313999/step, 4.29394 hours remaining, 225.558594 MB of memory in use. ENERGY: 77000 3974.6254 20564.5532 14436.4921 259.9207 -203203.3655 2860.8656 0.0000 0.0000 52250.7794 -108856.1292 300.2859 -161106.9086 -108502.8275 300.1873 -179.0638 -150.6606 763915.1787 2.8522 2.6505 PRESSURE: 77200 -4.99105 -33.4457 -120.357 -33.4446 117.513 32.5399 -120.357 32.5398 -24.7387 GPRESSURE: 77200 69.6536 12.5026 -190.253 -41.0389 61.2991 51.6437 -44.3818 24.187 33.7738 PRESSAVG: 77200 27.9604 18.4896 39.4467 18.4896 -15.1102 13.7909 39.4466 13.7909 -5.38816 GPRESSAVG: 77200 29.7459 17.5058 42.5848 18.605 -15.1075 13.9637 38.775 12.089 -6.81891 TIMING: 77200 CPU: 242.571, 0.0031469/step Wall: 242.571, 0.0031469/step, 4.30322 hours remaining, 225.558594 MB of memory in use. ENERGY: 77200 3902.0175 20463.9361 14446.0196 232.8809 -203396.1001 2973.1743 0.0000 0.0000 52503.5483 -108874.5234 301.7386 -161378.0717 -108504.4384 300.1491 29.2610 54.9088 762882.7459 2.4873 2.6065 PRESSURE: 77400 111.886 -96.4624 157.386 -96.4624 -119.387 -132.306 157.386 -132.305 154.98 GPRESSURE: 77400 157.317 -186.506 152.059 -248.026 -66.1324 -101.489 153.452 -83.6382 131.623 PRESSAVG: 77400 0.340686 -17.4079 30.7864 -17.4079 4.86232 -8.60617 30.7864 -8.60615 -8.44322 GPRESSAVG: 77400 -2.25034 -15.9809 29.1736 -18.0484 5.10451 -8.07076 32.2476 -8.54801 -6.52602 TIMING: 77400 CPU: 243.2, 0.00314426/step Wall: 243.2, 0.00314426/step, 4.29943 hours remaining, 225.558594 MB of memory in use. ENERGY: 77400 3942.3432 20555.0682 14369.7156 244.5059 -202887.5896 2728.0624 0.0000 0.0000 52177.6290 -108870.2652 299.8656 -161047.8942 -108508.9104 299.9026 49.1595 74.2692 765419.0807 -1.0801 -1.2239 PRESSURE: 77600 -11.6312 -21.9098 -30.3571 -21.9092 58.9915 -20.8475 -30.3574 -20.8477 199.354 GPRESSURE: 77600 114.578 -42.8176 -83.0715 -40.2804 113.38 -94.8791 -39.5707 78.4379 87.7681 PRESSAVG: 77600 -30.639 -57.7719 13.5824 -57.7719 14.2418 26.6534 13.5823 26.6534 5.30128 GPRESSAVG: 77600 -29.1894 -60.2586 14.6364 -56.5114 13.943 25.7087 11.5266 28.0918 4.5666 TIMING: 77600 CPU: 243.825, 0.00312337/step Wall: 243.825, 0.00312337/step, 4.27068 hours remaining, 225.558594 MB of memory in use. ENERGY: 77600 4019.7840 20526.1556 14417.5647 254.6834 -203450.8462 3050.4217 0.0000 0.0000 52069.9067 -109112.3301 299.2465 -161182.2368 -108752.3242 299.3138 82.2380 105.2421 762697.3747 -3.6986 -3.5599 PRESSURE: 77800 -103.094 -3.70216 -65.6368 -3.70169 41.3168 -17.6379 -65.6364 -17.6381 -421.834 GPRESSURE: 77800 -33.3086 44.3099 -117.724 -31.8863 21.8397 -17.3071 -28.2151 42.7083 -361.291 PRESSAVG: 77800 -10.4329 -21.8607 12.7519 -21.8607 22.1127 21.6915 12.7519 21.6915 -11.1442 GPRESSAVG: 77800 -10.9869 -18.8182 11.8335 -22.3816 24.4273 21.7745 13.6006 19.9361 -12.5966 TIMING: 77800 CPU: 244.457, 0.00315974/step Wall: 244.457, 0.00315974/step, 4.32024 hours remaining, 225.535156 MB of memory in use. ENERGY: 77800 4030.1395 20450.4863 14434.1635 250.1138 -203407.8183 3040.0036 0.0000 0.0000 52201.0595 -109001.8521 300.0002 -161202.9116 -108646.1649 299.6510 -161.2039 -124.2534 764661.4530 0.1785 0.2813 PRESSURE: 78000 174.644 -5.88504 128.202 -5.88569 232.374 53.4465 128.203 53.4465 -31.8232 GPRESSURE: 78000 147.771 -32.431 130.514 -58.9879 246.505 62.96 103.493 -19.8387 58.1174 PRESSAVG: 78000 22.3317 -11.8963 24.491 -11.8963 6.62017 13.3908 24.491 13.3907 -11.8694 GPRESSAVG: 78000 22.9027 -13.0127 25.0913 -12.3004 4.80809 14.8034 24.3773 12.8897 -11.045 TIMING: 78000 CPU: 245.09, 0.00316492/step Wall: 245.09, 0.00316492/step, 4.32715 hours remaining, 225.523438 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: 78000 3972.9316 20601.5190 14398.3259 252.3344 -203243.5832 2901.2491 0.0000 0.0000 52155.5878 -108961.6354 299.7389 -161117.2232 -108598.5058 299.4469 125.0650 150.7978 762859.8958 5.6941 5.5553 PRESSURE: 78200 -434.975 -243.558 207.872 -243.558 36.2887 198.461 207.871 198.46 52.7784 GPRESSURE: 78200 -304.041 -295.167 131.924 -290.849 -1.66814 124.038 235.761 274.786 44.1075 PRESSAVG: 78200 -22.5518 -36.499 16.4927 -36.499 46.2721 11.8267 16.4927 11.8268 21.3872 GPRESSAVG: 78200 -22.9373 -36.9961 15.7644 -35.8641 45.8522 13.2387 17.6685 10.7722 22.4129 TIMING: 78200 CPU: 245.721, 0.00315681/step Wall: 245.721, 0.00315681/step, 4.31589 hours remaining, 225.535156 MB of memory in use. ENERGY: 78200 4019.0092 20618.5666 14363.9835 234.6216 -203065.1242 2660.0225 0.0000 0.0000 52123.0442 -109045.8767 299.5519 -161168.9209 -108686.9122 299.9340 -115.3026 -87.2004 765296.7478 15.0358 15.1093 PRESSURE: 78400 10.3937 87.2819 -264.199 87.2824 128.648 -12.1136 -264.199 -12.113 -91.8504 GPRESSURE: 78400 35.9611 92.2956 -163.466 73.2079 136.612 43.6741 -293.675 6.62391 -46.8902 PRESSAVG: 78400 0.458141 4.07957 19.5985 4.07961 -32.2364 -73.3973 19.5985 -73.3972 -14.917 GPRESSAVG: 78400 -0.0967226 3.09908 21.3078 2.72898 -31.206 -74.351 17.4208 -71.3002 -14.8535 TIMING: 78400 CPU: 246.355, 0.00317059/step Wall: 246.355, 0.00317059/step, 4.33455 hours remaining, 225.558594 MB of memory in use. ENERGY: 78400 3984.4353 20582.1736 14363.3852 238.6753 -202909.9316 2721.6855 0.0000 0.0000 51867.6714 -109151.9052 298.0842 -161019.5766 -108790.0592 299.0666 15.7303 41.8943 764335.4271 -15.5651 -15.3854 PRESSURE: 78600 232.366 -60.1795 -200.56 -60.1787 -400.165 -53.4135 -200.56 -53.4134 -451.441 GPRESSURE: 78600 222.877 -117.21 -201.865 -108.359 -262.886 -78.8701 -220.997 -41.1635 -493.097 PRESSAVG: 78600 -36.9324 -28.1491 -41.0457 -28.149 -1.86706 -15.6609 -41.0457 -15.6609 -6.4618 GPRESSAVG: 78600 -35.2134 -28.095 -41.5256 -27.9825 -1.68433 -16.2836 -38.9514 -16.3913 -8.47884 TIMING: 78600 CPU: 246.99, 0.00317564/step Wall: 246.99, 0.00317564/step, 4.34127 hours remaining, 225.558594 MB of memory in use. ENERGY: 78600 3944.2661 20580.3706 14481.7622 260.3583 -203491.5826 2803.2439 0.0000 0.0000 52056.1446 -109365.4369 299.1674 -161421.5814 -108998.6640 298.8259 -206.4133 -177.7018 763527.0393 -15.0871 -15.1255 PRESSURE: 78800 0.275307 62.1036 -163.4 62.1035 -156.753 -244.935 -163.4 -244.934 -114.647 GPRESSURE: 78800 -43.5844 34.4249 -195.988 13.4126 -66.9099 -250.911 -155.114 -106.103 -71.679 PRESSAVG: 78800 -25.6717 -30.1625 6.00928 -30.1624 37.597 -30.6869 6.0093 -30.6869 18.3588 GPRESSAVG: 78800 -25.7917 -29.5336 3.37456 -31.2578 36.7897 -30.593 8.03662 -31.0134 19.4376 TIMING: 78800 CPU: 247.621, 0.00315119/step Wall: 247.621, 0.00315119/step, 4.30768 hours remaining, 225.558594 MB of memory in use. ENERGY: 78800 4032.2767 20547.8212 14428.5606 235.1316 -203301.8997 2671.1449 0.0000 0.0000 51988.2057 -109398.7589 298.7769 -161386.9646 -109041.5841 299.4220 -90.3751 -60.7244 761834.2105 10.0947 10.1452 PRESSURE: 79000 21.8762 23.4793 318.14 23.4796 208.604 116.538 318.14 116.538 -4.15917 GPRESSURE: 79000 82.8246 173.937 267.596 -83.059 206.128 33.011 295.715 177.829 11.7151 PRESSAVG: 79000 -23.1842 56.3773 -5.27019 56.3773 32.0385 14.9167 -5.2702 14.9168 -2.62194 GPRESSAVG: 79000 -23.8689 55.7601 -4.43509 58.6452 32.7199 16.7182 -8.20978 13.6757 -2.05144 TIMING: 79000 CPU: 248.259, 0.00319278/step Wall: 248.259, 0.00319278/step, 4.36435 hours remaining, 225.558594 MB of memory in use. ENERGY: 79000 3985.4158 20610.0906 14379.9924 245.4370 -203498.7111 2861.1513 0.0000 0.0000 52006.5094 -109410.1145 298.8821 -161416.6239 -109045.6095 298.8160 75.4404 100.2227 763528.1884 2.0774 2.2665 PRESSURE: 79200 56.3807 192.038 -121.444 192.038 225.754 -179.062 -121.445 -179.062 509.608 GPRESSURE: 79200 164.303 131.863 -123.297 219.939 242.643 -171.344 -50.9592 -105.081 485.369 PRESSAVG: 79200 -24.6862 -34.3926 -19.6147 -34.3926 51.5056 33.7628 -19.6147 33.7629 -7.18163 GPRESSAVG: 79200 -23.9346 -33.5173 -19.7882 -35.6367 50.8567 30.4108 -18.4714 36.4821 -7.8829 TIMING: 79200 CPU: 248.893, 0.00316805/step Wall: 248.893, 0.00316805/step, 4.33037 hours remaining, 225.558594 MB of memory in use. ENERGY: 79200 4000.1688 20475.7650 14436.4229 264.2532 -203638.0515 2928.1745 0.0000 0.0000 52190.0572 -109343.2099 299.9370 -161533.2671 -108988.7489 299.5969 263.9143 297.4385 763157.1723 6.5459 6.3464 PRESSURE: 79400 -353.034 51.6809 -41.6041 51.681 -410.465 228.592 -41.6044 228.592 -658.922 GPRESSURE: 79400 -398.88 87.6996 -38.8659 36.7391 -350.295 217.554 -68.5128 230.887 -600.846 PRESSAVG: 79400 -35.2903 -49.597 -47.77 -49.5971 27.6686 6.12342 -47.77 6.12342 -20.0584 GPRESSAVG: 79400 -37.5831 -48.4502 -45.8234 -51.8454 29.0264 7.6282 -48.6325 4.8508 -19.217 TIMING: 79400 CPU: 249.519, 0.00313334/step Wall: 249.519, 0.00313334/step, 4.28275 hours remaining, 225.558594 MB of memory in use. ENERGY: 79400 3982.1022 20441.6270 14473.6031 265.8093 -202961.4417 2405.8684 0.0000 0.0000 51994.1131 -109398.3186 298.8109 -161392.4317 -109036.3371 298.9136 -474.1402 -450.0068 764593.8051 -9.2267 -9.2579 PRESSURE: 79600 511.165 39.4225 109.254 39.4221 82.9356 245.099 109.254 245.099 -86.3732 GPRESSURE: 79600 525.316 -80.7081 -13.8227 80.7808 143.23 193.863 104.211 155.272 -80.0531 PRESSAVG: 79600 58.933 -39.0009 19.0342 -39.001 -41.3836 26.2352 19.0342 26.2352 5.65988 GPRESSAVG: 79600 60.595 -40.3517 18.9505 -38.9467 -42.2488 25.7364 19.3858 24.4066 4.9691 TIMING: 79600 CPU: 250.15, 0.00315477/step Wall: 250.15, 0.00315477/step, 4.31187 hours remaining, 225.558594 MB of memory in use. ENERGY: 79600 3878.7937 20599.8669 14436.9503 244.2965 -203742.2454 2993.3417 0.0000 0.0000 52134.3829 -109454.6134 299.6170 -161588.9963 -109076.2425 298.7857 169.2424 196.1646 760440.2708 7.7364 7.7718 PRESSURE: 79800 -189.754 83.8746 -93.0318 83.8751 -49.5517 28.0515 -93.0315 28.0528 -204.753 GPRESSURE: 79800 -184.078 93.97 4.3699 146.603 -8.196 24.3814 -156.505 41.4157 -166.09 PRESSAVG: 79800 1.63431 -16.9071 15.9139 -16.907 -8.02807 -34.9972 15.9139 -34.9971 20.1254 GPRESSAVG: 79800 1.15133 -16.1023 15.7266 -15.6555 -8.31773 -35.2224 16.4317 -32.5033 20.3915 TIMING: 79800 CPU: 250.778, 0.00313711/step Wall: 250.778, 0.00313711/step, 4.28756 hours remaining, 225.558594 MB of memory in use. ENERGY: 79800 4055.5895 20589.2451 14452.4725 258.7514 -203354.6318 2672.1026 0.0000 0.0000 52038.0756 -109288.3951 299.0635 -161326.4707 -108926.4974 298.9028 -148.0198 -119.4545 761683.8435 4.5772 4.4084 PRESSURE: 80000 297.606 133.425 4.07075 133.426 239.198 129.27 4.07012 129.269 -101.615 GPRESSURE: 80000 329.092 115.743 -58.5475 62.063 228.87 130.38 -45.0364 115.349 -44.0028 PRESSAVG: 80000 -12.6088 21.8958 -5.1878 21.8958 10.1235 28.0348 -5.1879 28.0348 -15.8679 GPRESSAVG: 80000 -12.5896 21.8412 -5.22958 21.4901 10.1617 27.4593 -6.2808 28.4033 -16.2995 TIMING: 80000 CPU: 251.407, 0.00314481/step Wall: 251.407, 0.00314481/step, 4.29791 hours remaining, 225.558594 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: 80000 3949.8803 20586.8616 14418.0136 244.6569 -203289.4355 3015.2596 0.0000 0.0000 52046.8208 -109027.9426 299.1138 -161074.7635 -108660.5480 299.0970 145.0632 171.3196 764333.6801 -6.1177 -6.2425 PRESSURE: 80200 -134.241 160.32 25.3483 160.321 0.809118 -295.092 25.3484 -295.091 415.813 GPRESSURE: 80200 -20.6102 2.3911 65.1489 194.308 1.53371 -339.245 -58.3076 -184.903 355.82 PRESSAVG: 80200 -15.973 15.1868 8.60058 15.1868 -15.6983 8.30983 8.60058 8.30977 8.45487 GPRESSAVG: 80200 -15.2785 15.5115 8.30403 16.3132 -16.4779 8.35759 8.463 7.16819 8.17156 TIMING: 80200 CPU: 252.034, 0.00313651/step Wall: 252.034, 0.00313651/step, 4.28639 hours remaining, 225.558594 MB of memory in use. ENERGY: 80200 4024.4225 20475.7226 14471.4776 261.7277 -203407.7375 2782.5850 0.0000 0.0000 52139.8487 -109251.9533 299.6484 -161391.8021 -108879.1101 299.3077 94.1271 112.2477 762494.8690 -7.7388 -7.8616 LDB: ============= START OF LOAD BALANCING ============== 264.565 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 264.565 LDB: =============== DONE WITH MIGRATION ================ 264.567 LDB: ============= START OF LOAD BALANCING ============== 264.88 LDB: Largest compute 7060 load 0.034041 is 17.5% of average load 0.194763 LDB: Average compute 0.004374 is 2.2% of average load 0.194763 LDB: TIME 264.884 LOAD: AVG 0.194763 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226 MB LDB: TIME 264.884 LOAD: AVG 0.194763 MAX 0.217388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.07 MB LDB: TIME 264.884 LOAD: AVG 0.194763 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.074 MB LDB: ============== END OF LOAD BALANCING =============== 264.886 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.891 PRESSURE: 80400 -23.5329 7.06047 -257.28 7.05934 -630.476 99.0503 -257.281 99.0495 -81.6399 GPRESSURE: 80400 -91.1446 2.63821 -315.71 68.3925 -507.681 143.973 -161.834 193.316 -36.7226 PRESSAVG: 80400 59.5769 60.109 -36.1807 60.109 -86.7056 20.0613 -36.1807 20.0614 2.09672 GPRESSAVG: 80400 58.8372 58.2088 -36.5796 58.3047 -86.359 21.4387 -34.7157 18.9463 2.24465 TIMING: 80400 CPU: 252.674, 0.00320028/step Wall: 252.674, 0.00320028/step, 4.37336 hours remaining, 223.410156 MB of memory in use. ENERGY: 80400 3969.8074 20464.7644 14492.8074 250.8530 -203160.5224 2620.0857 0.0000 0.0000 52324.3495 -109037.8550 300.7088 -161362.2045 -108673.9704 299.5362 -245.2163 -211.8495 764689.5997 -8.3440 -8.4257 PRESSURE: 80600 254.998 -21.0952 84.5488 -21.0959 96.6961 -6.22424 84.5499 -6.22485 117.858 GPRESSURE: 80600 177.951 22.5702 124.755 -26.794 225.848 -30.8451 39.7118 74.7656 135.827 PRESSAVG: 80600 22.6829 32.1553 7.13638 32.1553 -11.684 10.9895 7.13632 10.9895 0.827663 GPRESSAVG: 80600 21.6729 34.2246 7.37868 33.6263 -10.1978 9.89802 5.19113 13.109 0.723197 TIMING: 80600 CPU: 253.303, 0.00314306/step Wall: 253.303, 0.00314306/step, 4.29499 hours remaining, 223.410156 MB of memory in use. ENERGY: 80600 3962.0520 20600.6162 14387.1572 254.7379 -203337.0706 2900.6145 0.0000 0.0000 52198.1137 -109033.7791 299.9833 -161231.8928 -108670.0867 299.6890 156.5174 179.8755 763104.7006 3.9422 4.0661 PRESSURE: 80800 179.952 78.4173 74.1675 78.4169 60.2614 228.309 74.1691 228.309 243.196 GPRESSURE: 80800 243.495 -1.25886 124.38 128.136 93.3432 207.178 4.77639 124.626 224.711 PRESSAVG: 80800 0.496853 13.1817 -16.013 13.1816 2.05042 -23.0578 -16.013 -23.0578 8.54674 GPRESSAVG: 80800 2.03461 10.5312 -15.1174 15.2247 1.39475 -23.5101 -13.909 -24.0565 8.46326 TIMING: 80800 CPU: 253.935, 0.00316322/step Wall: 253.935, 0.00316322/step, 4.32236 hours remaining, 223.429688 MB of memory in use. ENERGY: 80800 3964.3220 20587.8076 14472.9025 236.3393 -203752.6765 3144.1424 0.0000 0.0000 52111.0270 -109236.1357 299.4828 -161347.1627 -108866.9706 299.5873 161.1365 187.1830 761952.6323 3.6980 3.9642 PRESSURE: 81000 22.9403 -5.01413 -93.3832 -5.01498 -130.248 -15.4927 -93.3834 -15.4913 -216.158 GPRESSURE: 81000 126.359 -140.083 -41.9389 61.8517 -56.4498 10.2938 -43.917 144.214 -290.419 PRESSAVG: 81000 57.0029 -12.2063 -25.0099 -12.2062 -1.51906 -23.2518 -25.0099 -23.2519 -7.31689 GPRESSAVG: 81000 56.6677 -11.1543 -23.8338 -15.2179 -1.29083 -23.8145 -27.3345 -21.6311 -6.94553 TIMING: 81000 CPU: 254.569, 0.00316871/step Wall: 254.569, 0.00316871/step, 4.32969 hours remaining, 223.449219 MB of memory in use. ENERGY: 81000 3992.8119 20337.0909 14452.6317 244.3587 -203683.9622 2775.6475 0.0000 0.0000 52455.6774 -109425.7441 301.4635 -161881.4215 -109049.4398 299.4787 -107.8217 -73.5032 760006.1708 16.0556 16.1438 PRESSURE: 81200 -176.055 -189.835 -25.4014 -189.835 -35.4244 -213.22 -25.4005 -213.219 -114.675 GPRESSURE: 81200 -76.7319 -177.342 -64.7573 -130.803 -78.9314 -305.957 -20.266 -124.122 -91.868 PRESSAVG: 81200 72.9819 -45.9654 5.09499 -45.9655 -0.145495 -31.894 5.09504 -31.894 -9.7666 GPRESSAVG: 81200 72.586 -44.9035 1.62375 -45.1438 -0.0226862 -33.5727 7.49761 -32.6152 -9.69765 TIMING: 81200 CPU: 255.197, 0.0031403/step Wall: 255.197, 0.00314029/step, 4.29069 hours remaining, 223.449219 MB of memory in use. ENERGY: 81200 3943.4058 20514.3550 14516.1038 243.7280 -203186.0292 2620.1301 0.0000 0.0000 51972.5600 -109375.7465 298.6870 -161348.3065 -109008.1393 298.5736 -108.7182 -82.5104 761873.9090 21.0233 20.9552 PRESSURE: 81400 63.9555 -56.201 -99.8099 -56.201 164.516 -224.675 -99.8098 -224.674 92.4461 GPRESSURE: 81400 103.195 -148.172 -51.6036 9.37663 136.21 -80.6064 -89.0073 -183.097 157.993 PRESSAVG: 81400 28.7794 7.64371 -19.3084 7.64376 -23.6086 15.5463 -19.3084 15.5464 2.39405 GPRESSAVG: 81400 27.8316 8.55328 -18.8417 7.67258 -23.737 18.4062 -19.2467 14.7544 2.66266 TIMING: 81400 CPU: 255.828, 0.00315443/step Wall: 255.828, 0.00315443/step, 4.30983 hours remaining, 223.449219 MB of memory in use. ENERGY: 81400 3988.5709 20386.4690 14509.1947 239.4435 -203578.2118 2892.3264 0.0000 0.0000 52166.9394 -109395.2678 299.8041 -161562.2072 -109030.7484 298.8996 106.9726 132.4660 761687.1647 2.5216 2.2524 PRESSURE: 81600 196.095 69.1932 -16.3377 69.1939 87.1381 92.9183 -16.3373 92.9181 253.755 GPRESSURE: 81600 270.3 107.079 -71.6653 182.102 121.591 29.0722 -166.072 150.817 219.816 PRESSAVG: 81600 64.9632 -9.28989 -11.5493 -9.28987 -27.6163 -19.0286 -11.5494 -19.0286 9.76368 GPRESSAVG: 81600 64.5071 -10.799 -10.3515 -8.6217 -27.8155 -20.042 -11.6262 -18.4318 10.2063 TIMING: 81600 CPU: 256.461, 0.00316338/step Wall: 256.461, 0.00316338/step, 4.32188 hours remaining, 223.449219 MB of memory in use. ENERGY: 81600 4012.1308 20409.9300 14388.8619 240.9832 -203477.5641 2919.7250 0.0000 0.0000 51845.4970 -109660.4361 297.9568 -161505.9331 -109294.1988 298.0966 178.9962 203.9023 763928.7030 15.7035 15.6326 PRESSURE: 81800 -155.707 -128.094 -105.736 -128.095 -200.544 -149.528 -105.737 -149.528 -388.894 GPRESSURE: 81800 -60.552 -136.751 -122.104 -30.2596 -214.264 -221.53 -203.094 -135.176 -388.019 PRESSAVG: 81800 37.9634 0.586768 -48.8648 0.586723 -63.254 10.8118 -48.8648 10.8117 -6.04942 GPRESSAVG: 81800 37.8289 1.30181 -49.3681 0.338345 -62.6931 9.20122 -49.9713 11.817 -7.03776 TIMING: 81800 CPU: 257.097, 0.0031832/step Wall: 257.097, 0.0031832/step, 4.34878 hours remaining, 223.449219 MB of memory in use. ENERGY: 81800 3989.0215 20455.9402 14499.3190 233.6878 -203443.5244 2804.3371 0.0000 0.0000 52024.7762 -109436.4426 298.9871 -161461.2188 -109069.3393 298.0858 -248.3817 -220.9450 762981.4954 -10.4466 -10.6340 PRESSURE: 82000 66.7492 -216.211 1.4736 -216.211 186.567 -37.6231 1.47321 -37.6236 -402.169 GPRESSURE: 82000 121.618 -188.351 -75.888 -183.855 129.637 -93.5121 85.3129 -134.793 -336.601 PRESSAVG: 82000 87.6933 26.9111 -62.7005 26.9111 -47.0133 -43.6252 -62.7006 -43.6251 -11.3133 GPRESSAVG: 82000 89.312 26.0962 -63.4023 29.3626 -49.2878 -43.1853 -59.779 -43.9924 -10.9958 TIMING: 82000 CPU: 257.728, 0.00315208/step Wall: 257.728, 0.00315208/step, 4.3061 hours remaining, 223.449219 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: 82000 3974.9167 20613.8791 14389.1047 244.2050 -203421.6651 2838.3282 0.0000 0.0000 52010.9388 -109350.2926 298.9076 -161361.2314 -108992.8167 299.0715 -49.6177 -28.4488 762327.8966 9.7889 9.6761 PRESSURE: 82200 -4.59486 -141.301 47.0205 -141.302 -48.0155 -146.492 47.0201 -146.492 -226.809 GPRESSURE: 82200 75.8057 32.4496 -54.6787 -210.908 -64.2776 -201.215 59.373 -68.0048 -201.061 PRESSAVG: 82200 53.9895 -9.32262 -40.3652 -9.32265 -45.9526 -26.9369 -40.3652 -26.937 -2.83401 GPRESSAVG: 82200 53.3633 -9.04883 -39.7771 -10.9356 -45.2757 -26.5679 -41.4465 -28.0183 -2.91273 TIMING: 82200 CPU: 258.36, 0.00316337/step Wall: 258.36, 0.00316337/step, 4.32134 hours remaining, 223.449219 MB of memory in use. ENERGY: 82200 4053.8367 20701.7399 14410.4161 237.7973 -203530.1448 2910.8489 0.0000 0.0000 52058.0848 -109157.4211 299.1785 -161215.5059 -108791.5151 299.1353 -93.1398 -63.1775 762023.1702 1.7343 1.7250 PRESSURE: 82400 27.8992 79.5349 -343.227 79.5348 -380.641 -84.6397 -343.228 -84.6397 236.309 GPRESSURE: 82400 59.0811 49.8615 -337.041 85.5947 -294.108 -103.022 -250.951 -100.911 208.905 PRESSAVG: 82400 66.0247 -14.0414 -16.2071 -14.0414 -21.9073 14.9455 -16.2072 14.9455 -12.7156 GPRESSAVG: 82400 64.6705 -15.2767 -16.5232 -13.8554 -20.9889 15.6679 -16.3324 15.6142 -12.453 TIMING: 82400 CPU: 258.995, 0.00317309/step Wall: 258.995, 0.00317309/step, 4.33445 hours remaining, 223.449219 MB of memory in use. ENERGY: 82400 4023.3782 20592.1473 14373.9349 244.9529 -203248.9685 2653.4704 0.0000 0.0000 52205.5148 -109155.5699 300.0258 -161361.0847 -108789.6564 299.3157 -38.8109 -8.7072 760683.5897 10.4673 10.4095 PRESSURE: 82600 -230.401 -39.3127 -212.696 -39.3122 69.9361 -14.4 -212.695 -14.3997 225.153 GPRESSURE: 82600 -162.082 -59.0104 -209.565 -62.5358 80.5808 -48.459 -184.935 43.7288 234.384 PRESSAVG: 82600 27.3507 -2.20694 -74.693 -2.20691 17.7007 16.8718 -74.6931 16.8718 -5.24921 GPRESSAVG: 82600 27.7162 -2.84881 -75.7562 -2.22666 18.1871 16.7037 -74.7453 17.2935 -5.6757 TIMING: 82600 CPU: 259.629, 0.00316828/step Wall: 259.629, 0.00316828/step, 4.3277 hours remaining, 223.449219 MB of memory in use. ENERGY: 82600 4014.9973 20534.5417 14417.8428 243.5746 -203459.7715 3023.5352 0.0000 0.0000 51848.0114 -109377.2685 297.9712 -161225.2799 -109022.0768 299.1820 21.5628 50.9609 761603.6492 13.2674 13.4092 PRESSURE: 82800 84.6561 -233.853 -113.662 -233.852 -133.153 92.4483 -113.661 92.4474 -184.119 GPRESSURE: 82800 125.908 -129.416 -110.885 -303.801 -94.7577 119.644 -80.2108 190.906 -193.158 PRESSAVG: 82800 25.7566 -0.383299 -36.2298 -0.383318 -37.6243 30.875 -36.2297 30.8749 15.9192 GPRESSAVG: 82800 26.6553 0.839014 -36.1784 0.474051 -39.129 29.9891 -37.2229 31.6781 15.4553 TIMING: 82800 CPU: 260.263, 0.00316868/step Wall: 260.263, 0.00316868/step, 4.32806 hours remaining, 223.449219 MB of memory in use. ENERGY: 82800 3925.4920 20352.7002 14485.7444 259.9035 -203267.3624 2793.1790 0.0000 0.0000 52181.6976 -109268.6457 299.8889 -161450.3433 -108901.7441 298.7071 -77.5387 -54.0028 763326.6329 1.3505 0.9939 PRESSURE: 83000 -46.2158 -78.4616 -205.876 -78.4625 77.2573 5.79584 -205.875 5.79748 293.329 GPRESSURE: 83000 86.6987 -12.2073 -254.199 13.3376 15.3024 -24.3599 -159.059 15.7906 301.362 PRESSAVG: 83000 31.4564 -3.26894 16.3816 -3.26892 -48.1739 1.58857 16.3815 1.58859 -12.8367 GPRESSAVG: 83000 31.0557 -4.32586 16.176 -4.73593 -48.692 1.76652 14.9318 1.09877 -11.6865 TIMING: 83000 CPU: 260.888, 0.0031268/step Wall: 260.888, 0.0031268/step, 4.27069 hours remaining, 223.449219 MB of memory in use. ENERGY: 83000 3967.4577 20604.7603 14459.7576 244.2354 -203181.3492 2700.4131 0.0000 0.0000 51933.9587 -109270.7664 298.4652 -161204.7251 -108908.2336 298.6472 108.1234 134.4545 762744.0845 -9.8514 -9.7743 PRESSURE: 83200 103.106 70.122 -13.6266 70.1221 5.05914 -111.75 -13.6267 -111.749 30.2273 GPRESSURE: 83200 163.023 63.3728 6.93367 -48.5317 45.0383 -15.4865 21.3364 -114.628 43.2735 PRESSAVG: 83200 -20.4729 9.68123 -4.27974 9.68126 24.3778 54.3713 -4.27977 54.3714 -5.99509 GPRESSAVG: 83200 -20.7764 10.9578 -2.14014 8.14748 25.757 53.5807 -3.4891 54.5137 -6.63257 TIMING: 83200 CPU: 261.515, 0.00313573/step Wall: 261.515, 0.00313573/step, 4.28271 hours remaining, 223.449219 MB of memory in use. ENERGY: 83200 3998.0635 20643.4703 14429.5560 233.8176 -203434.5950 2905.9696 0.0000 0.0000 52098.7293 -109124.9888 299.4121 -161223.7180 -108766.0290 299.2836 46.1309 83.7781 761945.6760 -0.6967 -0.5507 PRESSURE: 83400 -249.926 -72.6355 -27.9655 -72.6352 116.334 97.3406 -27.9656 97.3412 292.107 GPRESSURE: 83400 -279.59 -109.687 -21.7605 -84.6188 214.039 137.045 26.2122 69.779 292.872 PRESSAVG: 83400 13.2398 9.51227 -4.09559 9.51222 -2.18166 37.0078 -4.09566 37.0079 -3.78197 GPRESSAVG: 83400 13.2108 9.53114 -6.34866 10.4011 -1.79178 38.6337 -3.14469 36.6236 -4.20753 TIMING: 83400 CPU: 262.143, 0.00314191/step Wall: 262.143, 0.00314191/step, 4.29097 hours remaining, 223.449219 MB of memory in use. ENERGY: 83400 4000.8827 20550.1943 14442.2067 244.5307 -203053.4544 2641.9262 0.0000 0.0000 52154.5925 -109019.1212 299.7332 -161173.7137 -108662.8448 299.8755 52.8383 75.7737 761285.2564 2.4254 2.4038 PRESSURE: 83600 -27.2194 156.353 -7.59685 156.353 -11.6552 211.205 -7.59655 211.206 -281.943 GPRESSURE: 83600 101.816 161.229 -13.9096 159.429 -40.505 127.51 -155.279 169.578 -295.181 PRESSAVG: 83600 -0.32173 -33.4524 -24.8113 -33.4525 9.72042 19.6786 -24.8112 19.6785 -14.318 GPRESSAVG: 83600 1.08974 -34.5036 -24.693 -34.5999 8.14355 18.476 -25.0782 18.9925 -13.3657 TIMING: 83600 CPU: 262.769, 0.00312878/step Wall: 262.769, 0.00312878/step, 4.27287 hours remaining, 223.437500 MB of memory in use. ENERGY: 83600 4045.7709 20554.1054 14426.6561 228.5284 -203001.2700 2482.7008 0.0000 0.0000 52124.4309 -109139.0775 299.5598 -161263.5084 -108766.1988 299.3785 -106.9393 -77.9568 763630.0775 -1.6398 -1.3775 PRESSURE: 83800 70.6246 -176.556 -1.09628 -176.556 364.119 90.0862 -1.09588 90.0857 35.2616 GPRESSURE: 83800 51.4699 -110.807 52.0659 -101.751 401.478 158.59 95.7062 112.879 104.957 PRESSAVG: 83800 33.8031 -0.32938 0.278952 -0.329331 1.28926 13.8017 0.278908 13.8017 -4.93293 GPRESSAVG: 83800 32.3814 -0.290637 1.00162 3.3803 1.30508 11.9955 0.84069 14.6025 -3.87114 TIMING: 83800 CPU: 263.399, 0.00314944/step Wall: 263.399, 0.00314944/step, 4.30091 hours remaining, 223.449219 MB of memory in use. ENERGY: 83800 4024.1940 20628.7922 14422.7293 253.6684 -203176.3692 2718.3284 0.0000 0.0000 52331.3480 -108797.3088 300.7490 -161128.6568 -108444.1925 299.6849 156.6684 185.9683 761029.3286 10.0531 9.9384 PRESSURE: 84000 -375.528 115.948 -84.0425 115.948 -457.96 108.15 -84.0427 108.15 -238.653 GPRESSURE: 84000 -385.285 102.479 -67.1376 16.6028 -293.952 78.6503 -135.556 277.139 -300.918 PRESSAVG: 84000 -5.03507 -43.7711 22.0413 -43.7711 -4.72115 50.0392 22.0413 50.0393 8.2483 GPRESSAVG: 84000 -5.45637 -41.508 21.2347 -47.0628 -3.18381 51.2864 21.3088 50.3461 6.76293 TIMING: 84000 CPU: 264.031, 0.00315995/step Wall: 264.031, 0.00315995/step, 4.31509 hours remaining, 223.449219 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: 84000 4042.6589 20574.7176 14415.5978 237.9152 -202799.0778 2532.3477 0.0000 0.0000 52229.2436 -108766.5970 300.1622 -160995.8406 -108405.1374 300.0588 -357.3803 -326.7184 762873.2847 -0.5026 -0.6257 PRESSURE: 84200 -129.624 136.977 -208.639 136.977 -15.9265 -303.229 -208.639 -303.23 299.575 GPRESSURE: 84200 -10.1391 170.653 -121.249 78.9335 -0.733297 -294.838 -140.123 -421.927 247.986 PRESSAVG: 84200 -31.34 27.5008 -28.4016 27.5008 22.61 8.06623 -28.4017 8.06619 -0.650447 GPRESSAVG: 84200 -30.2878 26.5043 -26.261 26.788 21.7817 10.2549 -28.571 7.40101 -0.602389 TIMING: 84200 CPU: 264.663, 0.00316229/step Wall: 264.663, 0.00316229/step, 4.3181 hours remaining, 223.449219 MB of memory in use. ENERGY: 84200 3922.1008 20427.8351 14431.4211 274.8944 -202856.4529 2745.4319 0.0000 0.0000 52111.5097 -108943.2599 299.4856 -161054.7697 -108582.0150 299.8138 51.3415 79.0380 764226.5697 -3.1268 -3.0362 LDB: ============= START OF LOAD BALANCING ============== 277.198 LDB: ============== END OF LOAD BALANCING =============== 277.198 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 277.2 LDB: ============= START OF LOAD BALANCING ============== 277.517 LDB: Largest compute 7060 load 0.031302 is 16.1% of average load 0.194783 LDB: Average compute 0.004388 is 2.3% of average load 0.194783 LDB: TIME 277.52 LOAD: AVG 0.194783 MAX 0.21642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 224.691 MB LDB: TIME 277.521 LOAD: AVG 0.194783 MAX 0.21642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.691 MB LDB: TIME 277.521 LOAD: AVG 0.194783 MAX 0.21642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.691 MB LDB: ============== END OF LOAD BALANCING =============== 277.523 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 277.528 PRESSURE: 84400 3.51261 -122.286 126.997 -122.287 58.8013 -175.858 126.996 -175.857 144.2 GPRESSURE: 84400 2.12734 -35.7686 113.443 -60.2653 60.9515 -164.187 158.837 -162.333 212.237 PRESSAVG: 84400 3.85026 7.65411 -55.6137 7.65411 -2.03756 53.693 -55.6136 53.693 -10.6151 GPRESSAVG: 84400 3.30185 6.10718 -55.7933 11.3915 -1.47769 51.2148 -56.0451 53.9449 -10.8028 TIMING: 84400 CPU: 265.311, 0.00323554/step Wall: 265.311, 0.00323554/step, 4.41795 hours remaining, 224.691406 MB of memory in use. ENERGY: 84400 3992.8429 20504.8716 14381.2847 275.1641 -202782.7681 2416.8178 0.0000 0.0000 52181.1356 -109030.6514 299.8857 -161211.7870 -108665.3104 299.9691 68.8378 91.7718 762365.8403 -2.9341 -2.9929 PRESSURE: 84600 -178.702 6.0876 35.2547 6.0867 43.4529 -83.6349 35.2541 -83.634 -2.69309 GPRESSURE: 84600 -125.564 -26.863 60.9415 -86.1914 123.522 -44.3909 43.4932 77.4034 -53.7732 PRESSAVG: 84600 5.34822 -8.82001 -44.4492 -8.82004 9.24031 -3.71554 -44.4492 -3.71549 -14.1967 GPRESSAVG: 84600 5.66982 -6.80007 -42.7197 -10.5834 9.77182 -4.35534 -46.0298 -1.95409 -14.8903 TIMING: 84600 CPU: 265.944, 0.00316717/step Wall: 265.944, 0.00316717/step, 4.32442 hours remaining, 224.750000 MB of memory in use. ENERGY: 84600 3993.9287 20670.2249 14525.8816 242.5371 -203158.6566 2654.0794 0.0000 0.0000 52048.3880 -109023.6169 299.1228 -161072.0049 -108666.6291 298.9699 -45.9806 -18.6053 763827.5366 0.1306 0.1838 PRESSURE: 84800 -63.9481 41.2793 51.4983 41.2801 -100.394 82.1623 51.4979 82.162 -367.022 GPRESSURE: 84800 7.93154 74.5168 -31.6183 48.9977 -142.789 91.4106 34.1767 -66.1187 -298.986 PRESSAVG: 84800 -48.1268 -18.0809 -21.3651 -18.0809 52.3144 13.9251 -21.3652 13.9251 1.09464 GPRESSAVG: 84800 -47.3288 -19.8271 -24.6475 -15.664 49.953 15.6393 -16.0726 11.9621 2.9503 TIMING: 84800 CPU: 266.577, 0.00316491/step Wall: 266.577, 0.00316491/step, 4.32115 hours remaining, 224.750000 MB of memory in use. ENERGY: 84800 4041.1268 20303.6874 14463.4904 247.6691 -203303.9035 2765.3606 0.0000 0.0000 52282.3320 -109200.2370 300.4673 -161482.5691 -108832.0055 299.3863 -177.1216 -144.6145 764029.9754 1.7607 1.8582 PRESSURE: 85000 -220.013 2.89364 101.193 2.89365 119.84 -54.3699 101.194 -54.3693 431.013 GPRESSURE: 85000 -172.727 -82.309 72.5857 73.8134 200.903 -68.1762 -25.073 -11.2245 383.637 PRESSAVG: 85000 -0.566118 0.496331 -44.7964 0.496333 -20.6258 49.4938 -44.7964 49.4938 -25.8023 GPRESSAVG: 85000 -0.726008 1.35156 -43.6486 -0.79307 -19.7621 46.812 -47.6814 49.9323 -26.6561 TIMING: 85000 CPU: 267.21, 0.00316733/step Wall: 267.21, 0.00316733/step, 4.32428 hours remaining, 224.750000 MB of memory in use. ENERGY: 85000 3939.3590 20337.8083 14508.5985 243.3851 -203457.6593 2980.4355 0.0000 0.0000 52125.3384 -109322.7345 299.5650 -161448.0729 -108951.2151 298.8903 110.2798 137.2709 762523.0832 -15.6648 -15.7148 PRESSURE: 85200 -608.071 77.7459 35.5111 77.7465 -246.307 -243.296 35.5113 -243.296 -236.409 GPRESSURE: 85200 -532.355 75.0484 -35.8421 64.8579 -191.852 -142.866 93.1786 -187.756 -279.602 PRESSAVG: 85200 -18.463 -2.02779 21.4741 -2.0279 45.4681 -2.42738 21.474 -2.42738 -6.7541 GPRESSAVG: 85200 -17.9834 -0.151133 21.1171 -2.56236 45.5742 0.243766 22.9649 -2.3978 -6.88942 TIMING: 85200 CPU: 267.845, 0.00317241/step Wall: 267.845, 0.00317241/step, 4.33105 hours remaining, 224.750000 MB of memory in use. ENERGY: 85200 4006.4736 20449.6068 14447.7783 245.6846 -202986.5782 2486.9002 0.0000 0.0000 52239.4128 -109110.7218 300.2206 -161350.1346 -108738.0516 299.5306 -363.5959 -334.6028 764377.2174 6.7503 6.9005 PRESSURE: 85400 -398.755 119.004 103.152 119.004 7.28584 5.39017 103.152 5.39073 72.5758 GPRESSURE: 85400 -233.46 164.609 85.561 80.9149 -89.8414 -47.3822 -28.6989 84.2618 91.9198 PRESSAVG: 85400 -30.3336 7.05581 -1.29553 7.05581 28.4213 -37.521 -1.29553 -37.521 10.5812 GPRESSAVG: 85400 -31.3075 5.07452 -1.85278 6.07429 28.7098 -38.3859 -1.8553 -36.1435 10.817 TIMING: 85400 CPU: 268.481, 0.00317983/step Wall: 268.481, 0.00317983/step, 4.341 hours remaining, 224.750000 MB of memory in use. ENERGY: 85400 3949.4484 20501.1343 14554.7015 254.5409 -202902.8650 2485.0889 0.0000 0.0000 52113.5127 -109044.4384 299.4971 -161157.9511 -108683.0361 299.3724 -106.2977 -77.1273 763700.0266 2.8896 2.7398 PRESSURE: 85600 54.8788 -113.879 -152.45 -113.879 172.475 -200.317 -152.45 -200.316 474.061 GPRESSURE: 85600 43.2081 5.49763 -170.888 -38.75 184.024 -192.916 -159.442 -71.1443 540.47 PRESSAVG: 85600 39.0414 42.3071 14.7554 42.3071 -39.0942 -33.6394 14.7553 -33.6395 25.105 GPRESSAVG: 85600 39.009 42.1158 16.6625 43.4228 -39.7002 -33.7595 13.2641 -35.5634 25.7966 TIMING: 85600 CPU: 269.114, 0.00316615/step Wall: 269.114, 0.00316615/step, 4.32215 hours remaining, 224.750000 MB of memory in use. ENERGY: 85600 3972.2136 20483.0741 14443.8759 249.4269 -203339.2972 2997.2587 0.0000 0.0000 52267.9788 -108925.4690 300.3848 -161193.4479 -108569.7300 299.4534 233.8048 255.9005 764168.0312 8.3508 8.3685 PRESSURE: 85800 -300.09 -66.7578 71.2027 -66.7578 -150.688 169.741 71.203 169.741 -36.2562 GPRESSURE: 85800 -253.829 -18.5063 85.8196 -60.2304 -58.8153 136.708 31.3171 26.6001 -71.1851 PRESSAVG: 85800 36.1726 24.3469 -27.0199 24.3469 -32.4698 20.9563 -27.0199 20.9564 -1.00771 GPRESSAVG: 85800 37.0909 24.0561 -27.6213 23.7221 -32.6463 19.9621 -27.7118 22.0113 -1.63678 TIMING: 85800 CPU: 269.749, 0.00317236/step Wall: 269.749, 0.00317236/step, 4.33045 hours remaining, 224.750000 MB of memory in use. ENERGY: 85800 4018.5628 20475.6438 14410.2595 244.5108 -202661.2740 2508.0860 0.0000 0.0000 52034.8670 -108969.3441 299.0451 -161004.2111 -108608.9854 299.7372 -162.3449 -127.9430 764626.7278 0.8984 0.9359 PRESSURE: 86000 167.386 -234.15 -154.14 -234.15 28.5348 -46.345 -154.14 -46.345 294.111 GPRESSURE: 86000 157.486 -101.344 -148.286 -248.621 38.1361 89.0679 -86.545 -90.5443 394.536 PRESSAVG: 86000 -5.99204 5.81264 -64.6411 5.81268 2.79119 23.2662 -64.641 23.2662 2.88857 GPRESSAVG: 86000 -5.82355 6.08494 -63.9514 5.27379 3.31858 24.2694 -64.0694 24.2874 3.03157 TIMING: 86000 CPU: 270.378, 0.00314814/step Wall: 270.378, 0.00314814/step, 4.29721 hours remaining, 224.750000 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: 86000 4017.3742 20470.1591 14483.8837 238.2202 -203132.7028 2580.0449 0.0000 0.0000 51937.4604 -109405.5602 298.4853 -161343.0205 -109039.1802 299.1508 163.3438 196.7193 761916.7762 -0.1041 0.1755 PRESSURE: 86200 -13.4833 164.925 89.6731 164.925 117.439 -45.8987 89.6733 -45.8986 188.893 GPRESSURE: 86200 -39.9075 131.902 54.7638 89.8623 228.627 -59.0904 193.665 -144.647 184.999 PRESSAVG: 86200 -32.1744 15.616 -27.7841 15.6161 52.6912 -57.8111 -27.7841 -57.811 -1.88431 GPRESSAVG: 86200 -32.7908 15.2097 -28.2501 16.2481 52.5073 -57.0585 -25.9168 -60.4128 -1.2423 TIMING: 86200 CPU: 271.012, 0.00316751/step Wall: 271.012, 0.00316751/step, 4.32348 hours remaining, 224.750000 MB of memory in use. ENERGY: 86200 3914.6176 20413.9992 14394.7880 264.5381 -203148.7879 2763.8888 0.0000 0.0000 52216.2748 -109180.6814 300.0876 -161396.9562 -108810.6239 299.0473 97.6165 124.5730 762888.2238 6.2108 6.1581 PRESSURE: 86400 79.2877 -13.528 -115.731 -13.5284 24.0881 -54.729 -115.731 -54.7292 -315.075 GPRESSURE: 86400 65.6088 27.9601 -150.2 47.5687 159.297 8.20716 -56.0007 14.4691 -359.097 PRESSAVG: 86400 -14.1851 26.8874 12.4188 26.8874 -52.7094 -39.5527 12.4188 -39.5526 14.743 GPRESSAVG: 86400 -13.5732 28.5115 11.4965 26.7103 -52.8604 -39.7235 11.242 -39.0343 14.2588 TIMING: 86400 CPU: 271.644, 0.00315943/step Wall: 271.644, 0.00315943/step, 4.31227 hours remaining, 224.750000 MB of memory in use. ENERGY: 86400 3949.4036 20515.2007 14392.2031 232.5375 -202913.0892 2651.0705 0.0000 0.0000 52093.5414 -109079.1326 299.3823 -161172.6739 -108716.7005 299.5630 -70.5665 -44.7304 764352.2464 -17.3838 -17.3916 PRESSURE: 86600 -175.457 161.753 -15.3062 161.752 -582.313 -166.197 -15.3065 -166.197 -153.046 GPRESSURE: 86600 -136.604 156.829 -32.0267 170.925 -525.673 -256.262 29.9343 -134.89 -174.136 PRESSAVG: 86600 29.0853 5.13493 -20.4912 5.13499 -31.8634 18.6042 -20.4912 18.6043 -25.7884 GPRESSAVG: 86600 29.4101 3.83297 -20.1697 3.89502 -31.0402 18.4396 -19.9449 18.8488 -26.388 TIMING: 86600 CPU: 272.276, 0.00316083/step Wall: 272.276, 0.00316083/step, 4.314 hours remaining, 224.750000 MB of memory in use. ENERGY: 86600 3927.6705 20431.7613 14435.5841 253.7000 -202688.7615 2433.2229 0.0000 0.0000 52065.8240 -109140.9987 299.2230 -161206.8227 -108778.8441 299.7003 -303.6053 -278.8044 763964.4078 -9.5222 -9.3394 PRESSURE: 86800 -29.083 -11.9122 133.24 -11.9115 120.485 57.6299 133.24 57.63 68.7859 GPRESSURE: 86800 -52.335 78.4959 110.589 -122.291 137.155 22.913 13.5759 168.165 136.262 PRESSAVG: 86800 -21.5325 -58.7655 -2.31069 -58.7655 22.8678 51.8215 -2.31062 51.8215 -7.2005 GPRESSAVG: 86800 -21.3088 -58.3835 -1.55214 -56.9134 21.8002 51.0674 -2.69249 51.302 -6.53855 TIMING: 86800 CPU: 272.903, 0.00313816/step Wall: 272.903, 0.00313816/step, 4.28289 hours remaining, 224.750000 MB of memory in use. ENERGY: 86800 3943.8130 20655.3944 14401.7511 256.2115 -202914.4793 2655.0606 0.0000 0.0000 51888.6839 -109113.5649 298.2050 -161002.2488 -108760.3969 299.4856 53.3961 73.6938 762806.0577 -1.9551 -2.0157 PRESSURE: 87000 -341.859 -7.28101 339.508 -7.28021 -84.5788 149.817 339.508 149.816 -191.466 GPRESSURE: 87000 -298.314 1.06831 263.187 12.8884 -90.1459 129.33 258.42 332.62 -141.74 PRESSAVG: 87000 -9.01303 -31.8749 17.8042 -31.8749 49.812 33.8247 17.8042 33.8247 15.444 GPRESSAVG: 87000 -10.1859 -31.3333 17.656 -29.4142 49.1265 34.9357 17.0606 35.1365 17.74 TIMING: 87000 CPU: 273.533, 0.00314921/step Wall: 273.533, 0.00314921/step, 4.2978 hours remaining, 224.750000 MB of memory in use. ENERGY: 87000 4012.3519 20475.1083 14525.3811 247.2122 -202999.9097 2432.8346 0.0000 0.0000 52224.3404 -109082.6812 300.1340 -161307.0216 -108723.7871 299.0086 -205.9679 -176.7333 763698.6676 18.7476 18.8935 PRESSURE: 87200 10.4821 -133.605 -129.224 -133.605 108.482 -66.1766 -129.225 -66.1767 -94.3386 GPRESSURE: 87200 111.152 -176.093 -144.544 -155.882 15.7491 -164.072 -149.521 84.5789 -8.95432 PRESSAVG: 87200 -59.8404 8.97561 -34.2971 8.97558 61.4193 55.5212 -34.2971 55.5212 4.24721 GPRESSAVG: 87200 -59.149 6.72984 -35.2561 8.01608 62.2073 57.6534 -35.3165 53.2959 2.77823 TIMING: 87200 CPU: 274.162, 0.00314474/step Wall: 274.162, 0.00314474/step, 4.29153 hours remaining, 224.750000 MB of memory in use. ENERGY: 87200 3962.9976 20344.4074 14567.6913 248.0637 -202871.1919 2571.5964 0.0000 0.0000 52054.6042 -109121.8313 299.1585 -161176.4354 -108762.7978 299.3412 8.2084 39.3157 761229.8495 1.9420 1.9455 PRESSURE: 87400 45.9682 188.417 59.1582 188.417 161.366 -47.8562 59.1586 -47.856 -227.419 GPRESSURE: 87400 89.9871 46.3041 -42.693 60.3289 199.202 -38.0152 170.857 45.3754 -227.797 PRESSAVG: 87400 10.1153 12.5053 -69.5212 12.5052 -2.5147 3.12559 -69.5211 3.1256 7.09042 GPRESSAVG: 87400 10.7239 13.5691 -68.5962 11.9064 -2.74915 1.87267 -68.8972 4.81466 6.82433 TIMING: 87400 CPU: 274.795, 0.00316293/step Wall: 274.795, 0.00316293/step, 4.31617 hours remaining, 224.750000 MB of memory in use. ENERGY: 87400 3923.5048 20318.3356 14452.5046 238.3731 -203663.4400 3148.6522 0.0000 0.0000 52237.5933 -109344.4764 300.2102 -161582.0697 -108961.0222 299.0792 -6.6949 20.4641 762457.2474 4.8970 4.9330 PRESSURE: 87600 -146.73 156.999 -62.6669 156.999 -113.559 40.296 -62.6663 40.2968 187.912 GPRESSURE: 87600 -114.174 201.213 -72.3208 125.462 -31.0088 110.253 -32.9128 -20.8107 159.954 PRESSAVG: 87600 16.4856 0.0224095 15.7639 0.0224009 30.2782 2.21099 15.764 2.21103 -1.58581 GPRESSAVG: 87600 15.1538 -0.405504 15.4832 0.626464 31.3408 0.370286 16.2415 4.21724 -1.17551 TIMING: 87600 CPU: 275.426, 0.00315779/step Wall: 275.426, 0.00315779/step, 4.30897 hours remaining, 224.750000 MB of memory in use. ENERGY: 87600 4022.2541 20475.8610 14471.1132 245.7663 -203105.2646 2574.1707 0.0000 0.0000 51950.0651 -109366.0342 298.5577 -161316.0994 -109003.0246 299.2218 -24.1258 4.9237 760812.3395 15.0593 15.1063 PRESSURE: 87800 83.6922 -47.1927 -173.948 -47.1935 -78.2589 -87.5062 -173.949 -87.5053 -35.4938 GPRESSURE: 87800 114.435 -51.4802 -118.274 3.63883 -117.447 -137.275 -120.597 -37.7745 65.233 PRESSAVG: 87800 50.2873 3.00388 -37.906 3.00385 -24.0801 0.701815 -37.9061 0.701867 11.1876 GPRESSAVG: 87800 51.8102 3.10195 -38.3551 2.91151 -24.7354 2.44134 -36.7883 -2.3248 10.5802 TIMING: 87800 CPU: 276.053, 0.0031341/step Wall: 276.053, 0.0031341/step, 4.27648 hours remaining, 224.894531 MB of memory in use. ENERGY: 87800 3976.5302 20482.8914 14457.6171 250.6776 -203408.3636 2686.3639 0.0000 0.0000 52050.8131 -109503.4705 299.1367 -161554.2835 -109152.1606 298.8190 -10.0202 20.7403 761508.0234 12.4650 12.5517 PRESSURE: 88000 -218.264 -48.5561 226.901 -48.5565 -246.008 61.6993 226.9 61.6993 -18.3258 GPRESSURE: 88000 -216.604 62.7125 269.474 0.924767 -175.815 32.3462 223.546 23.5272 -37.4684 PRESSAVG: 88000 25.8035 17.6628 -27.8582 17.6627 -22.9597 40.9961 -27.8582 40.996 7.40554 GPRESSAVG: 88000 24.9733 19.6637 -26.5231 17.4368 -22.072 39.1546 -29.0026 41.6519 7.29804 TIMING: 88000 CPU: 276.681, 0.00313767/step Wall: 276.681, 0.00313767/step, 4.28118 hours remaining, 224.894531 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: 88000 3900.6713 20576.1614 14395.2754 248.6131 -202998.5452 2568.3685 0.0000 0.0000 51891.0869 -109418.3686 298.2188 -161309.4556 -109063.9910 298.8448 -160.8658 -143.2959 763839.3930 3.4164 3.3998 PRESSURE: 88200 -171.433 19.4961 -94.2294 19.4971 -223.852 -24.9638 -94.2277 -24.9637 -229.321 GPRESSURE: 88200 -130.534 18.212 -134.658 63.5107 -232.482 -63.6747 79.8374 16.1159 -195.934 PRESSAVG: 88200 -15.2767 28.131 -17.4627 28.131 27.0436 81.7605 -17.4627 81.7605 12.6031 GPRESSAVG: 88200 -15.0737 27.529 -17.5819 28.7548 27.5245 82.8456 -16.6058 82.2534 12.0143 TIMING: 88200 CPU: 277.308, 0.00313873/step Wall: 277.308, 0.00313873/step, 4.28245 hours remaining, 224.894531 MB of memory in use. ENERGY: 88200 3973.3459 20534.2790 14496.8496 237.8700 -203225.4970 2636.2968 0.0000 0.0000 52172.1578 -109174.6979 299.8341 -161346.8557 -108826.7143 298.5858 -208.2019 -186.3166 763414.7714 8.1233 8.1550 LDB: ============= START OF LOAD BALANCING ============== 289.84 LDB: ============== END OF LOAD BALANCING =============== 289.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 289.842 LDB: ============= START OF LOAD BALANCING ============== 290.157 LDB: Largest compute 7060 load 0.029778 is 15.3% of average load 0.194740 LDB: Average compute 0.004376 is 2.2% of average load 0.194740 LDB: TIME 290.161 LOAD: AVG 0.19474 MAX 0.217277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 223.93 MB LDB: TIME 290.161 LOAD: AVG 0.19474 MAX 0.217277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.043 MB LDB: TIME 290.161 LOAD: AVG 0.19474 MAX 0.217277 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 224.043 MB LDB: ============== END OF LOAD BALANCING =============== 290.163 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 290.168 PRESSURE: 88400 -231.833 -300.172 11.6878 -300.172 2.82705 170.965 11.6882 170.964 206.155 GPRESSURE: 88400 -205.476 -278.469 -39.7651 -332.471 26.8255 151.224 30.4011 125.023 251.746 PRESSAVG: 88400 -16.3156 10.8245 -6.87734 10.8245 -14.8267 71.7742 -6.87732 71.7741 -7.39514 GPRESSAVG: 88400 -15.2645 8.41991 -7.40831 12.09 -16.5951 72.0527 -9.16305 70.7756 -6.16303 TIMING: 88400 CPU: 277.951, 0.00321341/step Wall: 277.951, 0.00321341/step, 4.38416 hours remaining, 224.433594 MB of memory in use. ENERGY: 88400 3937.0329 20413.5177 14410.3730 228.8272 -203275.7381 2956.9757 0.0000 0.0000 52121.4092 -109207.6024 299.5425 -161329.0116 -108852.6421 299.2768 -7.6170 24.3651 763658.4343 -12.8458 -12.6742 PRESSURE: 88600 170.504 169.747 47.6025 169.747 -449.963 125.125 47.6031 125.124 -108.689 GPRESSURE: 88600 209.187 204.755 -4.2125 179.787 -351.036 134.153 56.8829 176.502 -153.671 PRESSAVG: 88600 3.94048 12.7002 -22.3515 12.7003 5.28426 22.454 -22.3514 22.454 -15.0546 GPRESSAVG: 88600 4.29037 14.2276 -22.0683 10.4967 5.10587 22.4497 -20.1296 23.3788 -15.3318 TIMING: 88600 CPU: 278.582, 0.00315247/step Wall: 278.582, 0.00315247/step, 4.30084 hours remaining, 224.492188 MB of memory in use. ENERGY: 88600 4017.5828 20406.5027 14443.7515 250.5855 -203159.6967 2763.8036 0.0000 0.0000 52206.3199 -109071.1507 300.0304 -161277.4706 -108717.0861 299.3929 -129.3829 -98.5067 763610.3590 -1.9433 -1.9785 PRESSURE: 88800 269.791 240.009 13.9126 240.01 141.568 -301.41 13.9127 -301.409 272.978 GPRESSURE: 88800 239.28 212.788 40.4951 142.242 238.764 -289.435 100.644 -162.971 287.393 PRESSAVG: 88800 104.313 32.6469 32.8333 32.6469 -86.9189 -46.7151 32.8333 -46.7151 -7.86312 GPRESSAVG: 88800 102.81 32.8351 32.1555 31.2781 -85.6659 -45.2862 31.4908 -46.6534 -7.73983 TIMING: 88800 CPU: 279.213, 0.00315536/step Wall: 279.213, 0.00315536/step, 4.30461 hours remaining, 224.492188 MB of memory in use. ENERGY: 88800 3958.2206 20529.8171 14500.4775 255.8100 -203077.7648 2608.2595 0.0000 0.0000 52075.1849 -109149.9953 299.2768 -161225.1802 -108784.3642 299.3241 228.1124 255.1457 761894.2580 3.1769 3.1347 PRESSURE: 89000 -197.959 -192.953 68.8801 -192.953 18.717 74.0709 68.8805 74.0694 -371.897 GPRESSURE: 89000 -124.017 -240.964 24.5806 -139.477 3.78874 55.3534 132.869 24.8295 -354.82 PRESSAVG: 89000 14.1582 -3.70961 -4.53781 -3.7096 3.21096 -10.5338 -4.53784 -10.5339 -10.8478 GPRESSAVG: 89000 14.2394 -2.54558 -4.71362 -2.87447 3.10524 -12.9773 -2.60547 -10.2546 -10.9071 TIMING: 89000 CPU: 279.838, 0.0031286/step Wall: 279.838, 0.0031286/step, 4.26794 hours remaining, 224.492188 MB of memory in use. ENERGY: 89000 3976.1022 20594.4998 14388.9425 255.1957 -203070.8956 2623.4823 0.0000 0.0000 51966.8789 -109265.7942 298.6544 -161232.6731 -108905.7318 299.1487 -183.7131 -158.3494 763240.0096 2.1738 2.1458 PRESSURE: 89200 203.069 12.3835 121.664 12.3826 -133.341 41.6945 121.665 41.6947 -68.6761 GPRESSURE: 89200 278.4 -77.7615 149.21 31.8323 -154.32 -6.61843 148.469 97.4854 -43.8379 PRESSAVG: 89200 -0.633872 -14.4576 -27.1194 -14.4575 9.61806 31.9402 -27.1194 31.9401 8.39816 GPRESSAVG: 89200 -0.0350072 -14.7215 -25.8938 -13.6277 8.87753 32.364 -29.6117 30.8831 8.73791 TIMING: 89200 CPU: 280.464, 0.00312805/step Wall: 280.464, 0.00312805/step, 4.26701 hours remaining, 224.492188 MB of memory in use. ENERGY: 89200 4048.8579 20556.1429 14454.8215 240.7008 -203126.5656 2545.9267 0.0000 0.0000 52036.1452 -109243.9706 299.0524 -161280.1158 -108887.4989 299.0797 0.3507 26.7474 761517.8516 5.7941 5.8601 PRESSURE: 89400 -25.6094 84.0638 388.473 84.0646 -126.605 -37.153 388.474 -37.1527 -61.0275 GPRESSURE: 89400 30.5352 -61.4519 423.024 146.756 -109.454 -38.7025 267.338 64.033 -43.4687 PRESSAVG: 89400 16.9894 -25.8949 28.2724 -25.8949 -58.0337 52.9944 28.2725 52.9944 26.0528 GPRESSAVG: 89400 17.4245 -27.8515 27.1843 -24.6737 -57.5868 52.8142 28.0795 53.5482 25.2411 TIMING: 89400 CPU: 281.096, 0.00315798/step Wall: 281.096, 0.00315798/step, 4.30766 hours remaining, 224.492188 MB of memory in use. ENERGY: 89400 4071.9516 20689.5188 14412.7407 251.5555 -203161.3032 2534.1734 0.0000 0.0000 51985.8889 -109215.4742 298.7636 -161201.3632 -108857.2403 299.8521 -71.0806 -40.7959 762840.8975 -4.9972 -4.9737 PRESSURE: 89600 78.39 100.78 26.9574 100.78 -60.1522 -76.0026 26.9572 -76.0024 -61.3932 GPRESSURE: 89600 114.028 106.325 -48.5441 45.7373 -16.7181 -44.1843 29.1775 4.95564 -70.8661 PRESSAVG: 89600 68.4828 34.0983 78.1731 34.0984 -25.5052 9.66797 78.1731 9.668 -6.04367 GPRESSAVG: 89600 67.4693 35.3217 77.0008 32.9361 -24.4173 9.94286 78.8287 10.4522 -6.22302 TIMING: 89600 CPU: 281.733, 0.00318718/step Wall: 281.733, 0.00318718/step, 4.34731 hours remaining, 224.492188 MB of memory in use. ENERGY: 89600 3965.9087 20538.7303 14522.5042 246.0188 -203101.8036 2517.5369 0.0000 0.0000 51999.3943 -109311.7104 298.8412 -161311.1046 -108933.9913 299.7716 -14.3851 8.8147 762579.1486 12.3113 12.2763 PRESSURE: 89800 169.47 7.21443 127.199 7.21378 -151.534 174.901 127.2 174.901 58.2223 GPRESSURE: 89800 159.555 29.169 59.4934 -123.795 -92.7815 157.37 204.025 177.312 84.3706 PRESSAVG: 89800 39.2904 -35.5361 8.29142 -35.5361 -64.1553 35.2464 8.29135 35.2463 -18.1717 GPRESSAVG: 89800 39.1341 -36.5241 9.65844 -37.1805 -65.266 35.068 9.32247 35.0409 -17.1383 TIMING: 89800 CPU: 282.372, 0.00319542/step Wall: 282.372, 0.00319542/step, 4.35838 hours remaining, 224.492188 MB of memory in use. ENERGY: 89800 4091.5343 20693.7936 14443.6503 255.9712 -203324.8842 2652.7160 0.0000 0.0000 51928.6949 -109258.5239 298.4349 -161187.2187 -108894.2065 298.9731 25.3861 50.3813 762495.0366 -14.3455 -14.4234 PRESSURE: 90000 275.555 206.554 -4.41147 206.555 -82.0902 -116.16 -4.41019 -116.162 517.978 GPRESSURE: 90000 281.912 160.545 -74.4767 91.9577 46.4314 -138.271 121.92 -46.9874 473.795 PRESSAVG: 90000 42.7905 -26.3366 -3.46007 -26.3367 -15.1508 -17.7682 -3.46007 -17.7682 2.63025 GPRESSAVG: 90000 43.6971 -24.904 -3.61661 -25.0395 -15.0734 -17.0232 -6.08178 -17.8865 2.18403 TIMING: 90000 CPU: 283.014, 0.00320961/step Wall: 283.014, 0.00320961/step, 4.37755 hours remaining, 224.492188 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: 90000 3969.0028 20492.9925 14438.1464 250.1421 -203471.7994 3015.6388 0.0000 0.0000 52210.6772 -109095.1997 300.0555 -161305.8769 -108729.9030 299.2209 237.1478 267.3794 762031.5755 10.0900 10.2693 PRESSURE: 90200 -222.479 32.2386 -114.447 32.2381 -32.2877 -91.2082 -114.446 -91.2075 -440.624 GPRESSURE: 90200 -155.691 32.8284 -83.8295 -8.73201 -22.4073 -57.1653 -144.042 -95.41 -420.288 PRESSAVG: 90200 11.3193 -1.74193 -30.8842 -1.74199 -0.940501 17.5817 -30.8841 17.5818 -12.236 GPRESSAVG: 90200 10.6088 -3.17668 -29.4421 -1.59737 -0.162511 16.4899 -29.8534 18.1826 -12.4335 TIMING: 90200 CPU: 283.645, 0.00315476/step Wall: 283.645, 0.00315476/step, 4.30256 hours remaining, 224.492188 MB of memory in use. ENERGY: 90200 4066.5172 20759.4808 14426.0689 254.9414 -203329.7007 2702.4180 0.0000 0.0000 52155.9571 -108964.3174 299.7410 -161120.2744 -108606.3037 299.7468 -231.7968 -199.4621 763971.4133 -0.6191 -0.6624 PRESSURE: 90400 92.7123 172.948 140.644 172.948 -317.061 103.476 140.643 103.476 110.596 GPRESSURE: 90400 131.155 162.693 187.129 162.585 -322.265 148.387 199.368 -5.36017 148.087 PRESSAVG: 90400 68.2734 34.6452 5.30322 34.6452 -49.7186 0.162095 5.30323 0.162116 10.778 GPRESSAVG: 90400 68.9132 35.2068 3.88143 35.6488 -51.1559 0.694039 6.81993 -3.53152 11.022 TIMING: 90400 CPU: 284.279, 0.00316852/step Wall: 284.279, 0.00316852/step, 4.32116 hours remaining, 224.492188 MB of memory in use. ENERGY: 90400 4025.5464 20562.7947 14476.3161 237.4819 -203670.7256 3044.3808 0.0000 0.0000 52432.6350 -108891.5706 301.3311 -161324.2056 -108533.5937 299.8688 -37.9177 -14.3410 764134.6284 9.7776 9.5931 PRESSURE: 90600 235.415 185.319 -123.427 185.32 -86.0978 381.009 -123.426 381.008 -224.626 GPRESSURE: 90600 237.29 218.871 -43.6198 229.431 -126.373 379.648 -151.872 432.509 -127.468 PRESSAVG: 90600 50.7745 -22.5237 26.1573 -22.5237 3.6908 56.4401 26.1572 56.4402 -15.8902 GPRESSAVG: 90600 50.3505 -23.3204 25.3963 -22.6373 4.28128 56.7777 25.9387 60.3356 -16.3733 TIMING: 90600 CPU: 284.911, 0.00316074/step Wall: 284.911, 0.00316074/step, 4.31038 hours remaining, 224.492188 MB of memory in use. ENERGY: 90600 3953.3918 20871.3138 14449.4809 239.1756 -203355.6118 2691.3458 0.0000 0.0000 52104.9181 -109045.9859 299.4477 -161150.9040 -108700.2898 300.2011 -25.1031 -5.5173 762063.8332 12.8583 12.7528 PRESSURE: 90800 -391.336 220.459 -103.632 220.459 -513.296 134.144 -103.632 134.144 -697.192 GPRESSURE: 90800 -372.094 36.5324 -120.906 201.849 -455.498 149.691 -32.0933 95.6653 -702.724 PRESSAVG: 90800 20.5406 29.9662 11.0616 29.9662 -25.7263 32.7249 11.0616 32.725 -12.4896 GPRESSAVG: 90800 21.3337 29.0532 12.3686 31.4525 -26.1054 34.4742 11.627 29.4089 -12.4664 TIMING: 90800 CPU: 285.546, 0.00317652/step Wall: 285.546, 0.00317652/step, 4.33171 hours remaining, 224.492188 MB of memory in use. ENERGY: 90800 4013.4618 20765.0779 14481.1312 254.6469 -202781.3607 2116.8167 0.0000 0.0000 52134.0935 -109016.1326 299.6154 -161150.2261 -108649.7919 299.9279 -533.9412 -510.1052 763022.3664 -5.8918 -5.7460 PRESSURE: 91000 125.178 -29.2011 -26.5719 -29.202 79.1015 -11.681 -26.5715 -11.6816 17.7932 GPRESSURE: 91000 76.1755 -207.493 -5.45751 7.37725 186.446 -62.0676 -22.9 -57.4644 45.5005 PRESSAVG: 91000 21.791 -5.82297 54.1172 -5.82299 -28.8517 53.6741 54.1173 53.6741 24.3875 GPRESSAVG: 91000 20.5775 -3.0489 53.2346 -7.37976 -26.5737 53.213 52.358 54.1021 23.5128 TIMING: 91000 CPU: 286.179, 0.00316406/step Wall: 286.179, 0.00316406/step, 4.31455 hours remaining, 224.492188 MB of memory in use. ENERGY: 91000 4015.1717 20592.2608 14426.3956 282.0973 -203327.9002 2895.9794 0.0000 0.0000 51913.8529 -109202.1426 298.3496 -161115.9955 -108848.3101 299.3143 74.0243 102.7075 761994.8174 5.7756 5.8389 PRESSURE: 91200 134.793 -126.592 -63.1802 -126.592 96.553 -102.42 -63.181 -102.42 72.3492 GPRESSURE: 91200 112.524 -24.6756 -87.7064 -79.6635 147.294 12.683 -34.1855 -197.888 124.23 PRESSAVG: 91200 8.64487 0.878809 -27.397 0.878814 -56.0855 5.22955 -27.397 5.22961 -3.92718 GPRESSAVG: 91200 8.93027 -0.347048 -24.9801 -1.08656 -58.1489 4.49287 -26.5515 6.90416 -2.88691 TIMING: 91200 CPU: 286.807, 0.00313778/step Wall: 286.807, 0.00313778/step, 4.27854 hours remaining, 224.492188 MB of memory in use. ENERGY: 91200 3955.2684 20589.0320 14573.7368 254.1078 -203171.5108 2717.6695 0.0000 0.0000 52041.7315 -109039.9649 299.0845 -161081.6964 -108682.4741 299.4969 101.2317 128.0161 763232.9002 -17.1226 -17.3685 PRESSURE: 91400 71.7239 -76.8473 -286.803 -76.8455 -132.297 229.08 -286.802 229.08 376.194 GPRESSURE: 91400 123.042 -123.565 -288.263 -72.9089 -85.2348 87.8279 -229.408 132.815 375.775 PRESSAVG: 91400 4.46917 -84.0814 -0.359922 -84.0813 -21.1467 40.8664 -0.359946 40.8663 1.46634 GPRESSAVG: 91400 5.09051 -86.1956 -2.74374 -81.4751 -20.5516 39.9857 1.37537 39.8008 0.667241 TIMING: 91400 CPU: 287.44, 0.00316676/step Wall: 287.44, 0.00316676/step, 4.31788 hours remaining, 224.492188 MB of memory in use. ENERGY: 91400 4076.9036 20423.1689 14396.7429 249.0700 -202985.9984 2701.7666 0.0000 0.0000 52338.0284 -108800.3180 300.7874 -161138.3464 -108424.0173 299.9987 105.2072 137.8608 762716.0989 -5.0704 -4.9313 PRESSURE: 91600 60.6898 0.559617 -119.126 0.559469 -35.9883 112.255 -119.126 112.255 -391.154 GPRESSURE: 91600 53.1204 -79.972 -59.15 88.2643 -16.7536 45.3715 -129.195 5.80395 -318.985 PRESSAVG: 91600 34.5172 -30.8344 -21.833 -30.8344 -9.16493 21.2694 -21.833 21.2694 15.86 GPRESSAVG: 91600 34.779 -29.3603 -20.5678 -33.0552 -10.1381 21.6897 -22.179 18.8971 16.9256 TIMING: 91600 CPU: 288.074, 0.00316995/step Wall: 288.074, 0.00316995/step, 4.32205 hours remaining, 224.492188 MB of memory in use. ENERGY: 91600 4056.5434 20745.0562 14467.2949 254.5836 -202896.0491 2649.5169 0.0000 0.0000 52151.8442 -108571.2099 299.7174 -160723.0541 -108206.6394 300.1028 -122.1508 -94.2061 764408.2248 13.7374 13.8555 PRESSURE: 91800 -10.4299 161.246 55.4548 161.245 -118.464 -80.8192 55.4545 -80.8183 88.7984 GPRESSURE: 91800 46.6575 174.923 77.9547 164.23 -113.408 -136.903 52.1621 -23.4445 95.671 PRESSAVG: 91800 16.4829 17.935 -20.9743 17.935 -24.1732 38.5305 -20.9743 38.5305 -6.5791 GPRESSAVG: 91800 16.4507 16.94 -21.4371 19.2053 -24.0933 37.5291 -23.4269 41.9172 -7.25744 TIMING: 91800 CPU: 288.709, 0.00317642/step Wall: 288.709, 0.00317642/step, 4.33069 hours remaining, 224.492188 MB of memory in use. ENERGY: 91800 3969.5507 20575.8779 14511.6001 256.1521 -202731.0661 2315.2541 0.0000 0.0000 52513.6391 -108588.9920 301.7966 -161102.6312 -108219.7827 300.9616 -13.3650 9.6402 763664.2550 -4.7565 -4.9667 PRESSURE: 92000 233.485 191.336 -99.9781 191.335 -81.9004 12.2249 -99.9778 12.2261 -319.711 GPRESSURE: 92000 231.411 289.681 -52.9182 79.9927 -68.8698 -2.19485 -217.521 3.65948 -278.022 PRESSAVG: 92000 27.8746 -25.0958 -13.3452 -25.0958 26.2184 -3.4122 -13.3452 -3.41221 24.9442 GPRESSAVG: 92000 27.4846 -22.6136 -13.4158 -27.3368 25.3523 -3.62326 -12.039 -3.92064 25.7216 TIMING: 92000 CPU: 289.342, 0.00316569/step Wall: 289.342, 0.00316569/step, 4.31589 hours remaining, 224.492188 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: 92000 4035.7081 20758.9037 14555.3450 246.6092 -202897.9135 2623.0349 0.0000 0.0000 52217.8605 -108460.4522 300.0968 -160678.3126 -108089.7870 301.2813 -56.0421 -38.4936 762451.9601 26.3457 26.1862 PRESSURE: 92200 -2.99006 46.6734 183.199 46.6741 -107.981 145.191 183.197 145.191 245.477 GPRESSURE: 92200 17.9715 7.56717 124.628 -153.771 -84.9133 105.123 168.899 182.057 297.927 PRESSAVG: 92200 -6.46705 33.3367 9.53743 33.3367 24.3002 41.571 9.53743 41.571 3.24767 GPRESSAVG: 92200 -7.32676 31.764 8.71438 34.1838 25.8853 40.6423 8.3237 42.7393 2.97655 TIMING: 92200 CPU: 289.979, 0.00318138/step Wall: 289.979, 0.00318138/step, 4.33711 hours remaining, 224.492188 MB of memory in use. ENERGY: 92200 3979.1276 20604.6025 14515.2131 238.4630 -203019.8936 2727.6211 0.0000 0.0000 52339.0698 -108615.7965 300.7934 -160954.8662 -108241.8311 300.9069 44.8351 76.9950 763764.3011 7.0270 7.1784 LDB: ============= START OF LOAD BALANCING ============== 302.514 LDB: ============== END OF LOAD BALANCING =============== 302.514 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.516 LDB: ============= START OF LOAD BALANCING ============== 302.836 LDB: Largest compute 7029 load 0.031539 is 16.2% of average load 0.194783 LDB: Average compute 0.004374 is 2.2% of average load 0.194783 LDB: TIME 302.839 LOAD: AVG 0.194783 MAX 0.216996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.836 MB LDB: TIME 302.839 LOAD: AVG 0.194783 MAX 0.216996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.906 MB LDB: TIME 302.839 LOAD: AVG 0.194783 MAX 0.216996 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.906 MB LDB: ============== END OF LOAD BALANCING =============== 302.841 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 302.846 PRESSURE: 92400 -359.864 -258.092 42.4531 -258.092 44.8887 18.0004 42.453 17.9995 339.735 GPRESSURE: 92400 -254.763 -256.033 34.9805 -89.1155 101.33 38.9148 15.1586 -54.074 276.349 PRESSAVG: 92400 -6.57857 23.1604 15.5366 23.1604 18.2719 35.3052 15.5366 35.3052 -0.340017 GPRESSAVG: 92400 -5.98362 22.0014 15.1363 24.091 18.4005 35.6303 17.8935 33.946 -1.31453 TIMING: 92400 CPU: 290.629, 0.00325375/step Wall: 290.629, 0.00325375/step, 4.43559 hours remaining, 225.136719 MB of memory in use. ENERGY: 92400 3936.6658 20657.2772 14453.2905 236.0462 -203440.3890 3078.6407 0.0000 0.0000 52413.2736 -108665.1949 301.2198 -161078.4685 -108306.4656 300.4359 8.2531 40.9721 763162.3121 3.7844 3.7008 PRESSURE: 92600 -212.738 70.3499 40.5339 70.3506 -126.197 221.529 40.5337 221.529 -145.147 GPRESSURE: 92600 -137.827 153.81 21.4793 -53.0888 -143.185 245.379 64.8508 146.922 -105.045 PRESSAVG: 92600 3.68323 5.80345 -4.13935 5.80344 -1.84439 58.3161 -4.13932 58.3162 -7.69921 GPRESSAVG: 92600 3.04965 8.9811 -3.93047 5.73619 -2.36264 58.9376 -7.63245 58.6479 -6.60159 TIMING: 92600 CPU: 291.265, 0.00317859/step Wall: 291.265, 0.00317859/step, 4.33295 hours remaining, 225.859375 MB of memory in use. ENERGY: 92600 3993.2404 20599.3633 14518.4083 241.2103 -203005.1973 2610.3049 0.0000 0.0000 52310.0442 -108732.6258 300.6265 -161042.6700 -108372.0317 300.4592 -161.3606 -128.6858 764320.6177 -1.9535 -1.9715 PRESSURE: 92800 392.779 21.1865 72.8165 21.1867 132.219 180.431 72.8171 180.432 -21.7413 GPRESSURE: 92800 388.692 -35.9098 149.862 -13.449 116.541 89.3155 159.282 202.413 54.6536 PRESSAVG: 92800 33.4208 -4.8591 -22.3676 -4.85908 -41.0649 45.7493 -22.3676 45.7494 1.51255 GPRESSAVG: 92800 33.1175 -6.2845 -20.8861 -5.47079 -40.6647 44.3877 -19.4387 46.5455 1.61185 TIMING: 92800 CPU: 291.9, 0.00317587/step Wall: 291.9, 0.00317587/step, 4.32907 hours remaining, 225.859375 MB of memory in use. ENERGY: 92800 3955.3190 20571.8984 14390.3989 264.7705 -203334.4679 2950.3997 0.0000 0.0000 52422.7216 -108778.9598 301.2741 -161201.6814 -108423.7710 300.2009 167.7522 186.6286 763541.0988 -2.0438 -1.9784 PRESSURE: 93000 -205.64 -135.356 155.574 -135.357 -10.3473 92.2885 155.575 92.2876 -209.823 GPRESSURE: 93000 -306.257 -68.4621 127.625 -85.5589 84.4668 14.4668 41.8185 -27.4042 -132.942 PRESSAVG: 93000 105.092 4.69118 -6.17801 4.69117 -18.7922 2.70894 -6.17799 2.70892 1.22666 GPRESSAVG: 93000 105.468 3.35936 -6.08812 5.72344 -19.0581 4.68136 -5.91009 0.808182 0.682445 TIMING: 93000 CPU: 292.539, 0.00319135/step Wall: 292.539, 0.00319135/step, 4.34999 hours remaining, 225.859375 MB of memory in use. ENERGY: 93000 4014.6135 20728.0958 14485.3171 244.8485 -203106.8282 2681.9742 0.0000 0.0000 52089.4999 -108862.4792 299.3591 -160951.9791 -108505.3222 300.1074 -141.9369 -118.2443 762832.4481 29.1755 29.0306 PRESSURE: 93200 454.945 106.845 99.6173 106.846 322.466 6.17122 99.6182 6.17142 239.059 GPRESSURE: 93200 492.895 29.3399 103.658 199.444 384.537 23.3314 46.6782 -61.0791 224.555 PRESSAVG: 93200 8.18959 28.3179 -46.511 28.3179 15.0683 30.9411 -46.511 30.9413 -9.49302 GPRESSAVG: 93200 8.11764 28.3404 -48.0919 26.6505 15.551 31.6459 -46.706 31.1826 -10.3517 TIMING: 93200 CPU: 293.176, 0.00318739/step Wall: 293.176, 0.00318739/step, 4.34441 hours remaining, 225.859375 MB of memory in use. ENERGY: 93200 4009.4689 20545.1277 14415.3551 248.8038 -203388.1699 2996.2676 0.0000 0.0000 52044.2660 -109128.8809 299.0991 -161173.1469 -108759.5478 299.6990 338.8232 367.3292 761539.9629 4.5883 4.4390 PRESSURE: 93400 -308.338 130.96 -179.496 130.962 16.7911 -151.145 -179.495 -151.145 -518.599 GPRESSURE: 93400 -149.62 172.223 -254.781 -28.1035 1.50511 -214.522 -219.672 -85.0521 -564.808 PRESSAVG: 93400 12.8239 37.8883 -21.5062 37.8883 -27.5895 2.96417 -21.5062 2.9643 -18.9644 GPRESSAVG: 93400 12.2847 39.3712 -21.73 36.0245 -27.1602 2.37631 -20.8908 4.68844 -18.2594 TIMING: 93400 CPU: 293.815, 0.0031966/step Wall: 293.815, 0.0031966/step, 4.35678 hours remaining, 225.890625 MB of memory in use. ENERGY: 93400 3983.0102 20580.8011 14462.6299 243.5565 -202832.0369 2438.5618 0.0000 0.0000 52132.5150 -108990.9623 299.6063 -161123.4773 -108628.0294 299.4207 -270.0486 -237.6410 761655.4795 -11.2433 -11.0450 PRESSURE: 93600 474.323 51.8778 -181.198 51.8775 85.6876 303.768 -181.199 303.768 -53.923 GPRESSURE: 93600 508.937 104.783 -68.5637 63.312 138.304 190.09 -297.642 236.465 -60.8606 PRESSAVG: 93600 48.6995 -3.7508 -25.3105 -3.75078 -13.3183 25.8928 -25.3105 25.8928 -3.51304 GPRESSAVG: 93600 49.1463 -6.26727 -24.3948 -1.33999 -13.0775 25.1574 -25.6179 25.717 -4.0584 TIMING: 93600 CPU: 294.453, 0.00318755/step Wall: 294.453, 0.00318755/step, 4.34427 hours remaining, 225.890625 MB of memory in use. ENERGY: 93600 3972.0812 20492.4938 14523.5761 249.9013 -203171.1559 2743.5849 0.0000 0.0000 52129.0806 -109060.4381 299.5865 -161189.5186 -108700.0383 299.8316 168.6958 195.4603 762153.7596 10.6227 10.6701 PRESSURE: 93800 54.5543 -14.6674 86.8859 -14.6667 347.075 -60.6019 86.8864 -60.6019 170.132 GPRESSURE: 93800 265.004 -47.6533 61.7031 -74.4976 338.214 -57.6431 131.054 -68.4852 69.7229 PRESSAVG: 93800 -3.07906 -23.5048 -41.884 -23.5048 10.1322 -16.4133 -41.884 -16.4133 11.8825 GPRESSAVG: 93800 -1.69843 -22.3228 -42.0212 -23.8991 8.76126 -16.3981 -42.1951 -16.5745 11.8156 TIMING: 93800 CPU: 295.087, 0.00316888/step Wall: 295.087, 0.00316888/step, 4.31865 hours remaining, 225.890625 MB of memory in use. ENERGY: 93800 4011.6410 20540.2534 14440.7593 251.8614 -202964.7457 2626.3884 0.0000 0.0000 51952.8367 -109141.0055 298.5737 -161093.8423 -108777.4712 299.0965 190.5871 224.3135 761011.7654 6.3119 6.2928 PRESSURE: 94000 -33.4023 190.734 -35.963 190.734 36.6525 -95.4715 -35.9623 -95.4715 40.3481 GPRESSURE: 94000 82.9064 98.7558 -57.3248 214.081 6.65357 -74.8784 -120.321 -117.792 16.6142 PRESSAVG: 94000 -34.2392 0.923184 10.6334 0.923154 8.82265 30.4463 10.6334 30.4463 -24.0333 GPRESSAVG: 94000 -35.7211 1.73565 11.9409 1.21224 10.0936 30.5796 8.42762 31.2526 -23.2059 TIMING: 94000 CPU: 295.715, 0.00314192/step Wall: 295.715, 0.00314192/step, 4.28173 hours remaining, 225.890625 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: 94000 4021.0055 20536.5578 14443.7564 256.1378 -203156.6624 2634.8977 0.0000 0.0000 52115.7587 -109148.5486 299.5100 -161264.3073 -108795.2038 299.4535 14.5328 35.3914 763697.1293 -16.4833 -16.2778 PRESSURE: 94200 161.735 -152.138 -90.8942 -152.138 -301.051 -112.387 -90.8928 -112.388 -159.515 GPRESSURE: 94200 76.9691 -182.951 -19.9637 -27.1965 -232.304 -65.8898 9.16468 -163.162 -73.1077 PRESSAVG: 94200 18.779 -13.8791 -16.5448 -13.8792 -14.5438 17.06 -16.5447 17.0601 -10.1902 GPRESSAVG: 94200 19.9517 -13.2549 -16.3597 -12.6364 -15.0222 15.723 -14.6755 18.359 -10.9659 TIMING: 94200 CPU: 296.344, 0.00314423/step Wall: 296.344, 0.00314423/step, 4.28471 hours remaining, 225.890625 MB of memory in use. ENERGY: 94200 3990.8227 20514.2677 14421.8303 238.2951 -203135.2069 2538.4549 0.0000 0.0000 52141.9201 -109289.6162 299.6603 -161431.5362 -108924.4061 298.9913 -99.6105 -76.1474 763680.4060 -1.9850 -2.0121 PRESSURE: 94400 -40.4354 -183.978 224.768 -183.978 51.3433 131.95 224.769 131.951 -297.597 GPRESSURE: 94400 -30.7418 -83.3242 225.173 -220.549 -56.9091 129.457 248.338 103.752 -127.814 PRESSAVG: 94400 -24.2942 -21.6776 -51.7958 -21.6776 -9.20138 29.4427 -51.7958 29.4426 10.1627 GPRESSAVG: 94400 -23.4251 -22.1772 -52.4209 -21.6174 -10.1019 32.0288 -51.3569 27.4632 10.6831 TIMING: 94400 CPU: 296.979, 0.00317369/step Wall: 296.979, 0.00317369/step, 4.32468 hours remaining, 225.890625 MB of memory in use. ENERGY: 94400 3999.8409 20644.5653 14468.3166 255.6982 -203397.9200 2836.2462 0.0000 0.0000 51708.7661 -109484.4866 297.1710 -161193.2527 -109131.5266 298.8733 -95.5632 -71.8217 762963.5882 -7.7776 -7.6146 PRESSURE: 94600 -134.264 -77.3946 -181.232 -77.3956 -89.0924 10.5623 -181.232 10.5605 -122.32 GPRESSURE: 94600 -103.947 -49.6007 -118.48 -142.594 -33.9461 64.3931 -320.858 40.7415 -134.713 PRESSAVG: 94600 -12.3505 0.400928 24.1529 0.400981 -8.33937 24.5362 24.1529 24.5361 -22.517 GPRESSAVG: 94600 -12.2486 -0.235497 24.1147 -2.62726 -7.38442 24.8798 22.7863 24.6007 -23.1507 TIMING: 94600 CPU: 297.615, 0.00318262/step Wall: 297.615, 0.00318262/step, 4.33667 hours remaining, 225.890625 MB of memory in use. ENERGY: 94600 3985.7108 20400.5129 14493.6036 238.4339 -203434.3839 2839.3889 0.0000 0.0000 51795.3506 -109681.3832 297.6686 -161476.7338 -109313.7824 298.5024 -115.2257 -90.8688 762569.1269 -14.4023 -14.2612 PRESSURE: 94800 -39.387 -115.844 37.836 -115.843 273.917 -160.166 37.835 -160.166 320.277 GPRESSURE: 94800 -78.4133 -4.73951 15.9763 -115.296 366.42 -250.547 -43.0219 -19.7865 365.159 PRESSAVG: 94800 22.212 -18.0596 -29.5778 -18.0596 21.3779 7.36687 -29.5778 7.36694 4.83753 GPRESSAVG: 94800 20.5599 -19.5232 -30.6489 -15.042 22.7742 6.21097 -29.2704 8.94642 4.84638 TIMING: 94800 CPU: 298.251, 0.0031787/step Wall: 298.251, 0.0031787/step, 4.33115 hours remaining, 225.890625 MB of memory in use. ENERGY: 94800 3934.9681 20499.8177 14432.5022 237.7206 -203396.0316 2990.1528 0.0000 0.0000 51758.6253 -109542.2450 297.4575 -161300.8702 -109179.1561 298.1118 184.9357 217.7218 762239.9770 16.1425 16.0601 PRESSURE: 95000 -176.403 -106.343 15.882 -106.343 -8.87269 -106.061 15.8821 -106.061 -360.859 GPRESSURE: 95000 -136.386 -164.39 -58.5008 -187.772 42.6411 -118.231 -68.3989 -244.01 -363.395 PRESSAVG: 95000 -36.8704 -27.137 -4.7471 -27.137 24.7751 15.4079 -4.74714 15.4078 0.553292 GPRESSAVG: 95000 -35.9984 -26.1105 -3.72255 -27.4605 23.8363 14.6674 -4.13702 15.6344 1.08066 TIMING: 95000 CPU: 298.883, 0.00315979/step Wall: 298.883, 0.00315979/step, 4.30522 hours remaining, 225.890625 MB of memory in use. ENERGY: 95000 3852.2606 20701.1225 14478.9144 248.7437 -203390.3241 2675.7242 0.0000 0.0000 51927.0733 -109506.4853 298.4256 -161433.5586 -109147.5065 298.5461 -182.0449 -152.3800 762510.6487 -3.8474 -3.6938 PRESSURE: 95200 -36.314 71.2486 116.928 71.2486 61.0717 412.649 116.929 412.648 8.8295 GPRESSURE: 95200 93.9991 106.014 150.029 -43.7191 53.8208 403.82 49.7821 215.72 -4.65819 PRESSAVG: 95200 29.9899 12.1353 -48.624 12.1353 -0.657633 36.8409 -48.624 36.8408 -1.64861 GPRESSAVG: 95200 29.9083 12.8567 -50.3952 12.294 -0.273425 37.5669 -47.8069 35.1878 -1.88058 TIMING: 95200 CPU: 299.519, 0.00318136/step Wall: 299.519, 0.00318136/step, 4.33443 hours remaining, 225.890625 MB of memory in use. ENERGY: 95200 3965.5976 20666.5227 14498.6288 253.9648 -203204.2013 2638.6995 0.0000 0.0000 51648.4344 -109532.3534 296.8243 -161180.7878 -109171.2136 298.7610 11.1957 47.7206 760814.0417 9.2279 9.2514 PRESSURE: 95400 90.3991 -18.3957 -188.753 -18.396 -160.219 -117.766 -188.753 -117.766 -238.385 GPRESSURE: 95400 79.6336 -21.6758 -169.826 -36.5565 7.09908 -251.433 -168.212 112.06 -312.418 PRESSAVG: 95400 -30.3091 -25.8957 -39.0706 -25.8958 12.1248 16.8839 -39.0706 16.8839 -3.05416 GPRESSAVG: 95400 -30.1621 -25.6118 -39.7597 -27.1076 12.5059 18.6346 -38.6309 17.4446 -3.36308 TIMING: 95400 CPU: 300.152, 0.00316612/step Wall: 300.152, 0.00316612/step, 4.31349 hours remaining, 225.890625 MB of memory in use. ENERGY: 95400 4049.3353 20488.2461 14473.2942 244.2756 -203356.3868 2740.2382 0.0000 0.0000 51867.9044 -109493.0930 298.0856 -161360.9974 -109133.2459 298.5997 -102.7349 -75.2284 762653.6649 -7.0795 -7.0064 PRESSURE: 95600 188.837 168.659 101.932 168.659 -188.368 187.922 101.932 187.922 248.403 GPRESSURE: 95600 180.89 169.527 83.1744 240.18 -150.295 123.292 51.7129 82.0931 308.022 PRESSAVG: 95600 -27.3851 11.7202 9.88056 11.7202 35.4308 54.289 9.88054 54.289 -4.47018 GPRESSAVG: 95600 -27.6308 10.0752 11.0073 13.3268 36.0159 53.429 8.30697 52.3904 -4.80592 TIMING: 95600 CPU: 300.786, 0.00316739/step Wall: 300.786, 0.00316739/step, 4.31504 hours remaining, 225.890625 MB of memory in use. ENERGY: 95600 4018.8107 20343.3948 14434.3550 240.5067 -203689.9559 2984.5800 0.0000 0.0000 51853.0634 -109815.2452 298.0003 -161668.3086 -109459.3720 298.5468 82.9571 112.8722 761285.4763 1.1918 1.1931 PRESSURE: 95800 -233.759 89.803 -73.5025 89.8029 -347.308 -110.033 -73.5026 -110.032 -5.73946 GPRESSURE: 95800 -149.862 67.757 -70.9737 149.947 -405.963 -207.27 -134.149 53.4525 56.7875 PRESSAVG: 95800 10.8987 10.845 -50.5656 10.845 -16.2979 -26.3187 -50.5656 -26.3186 6.87257 GPRESSAVG: 95800 12.1976 12.5802 -50.4884 8.93556 -17.997 -27.2489 -51.9006 -22.6241 6.8906 TIMING: 95800 CPU: 301.417, 0.00315826/step Wall: 301.417, 0.00315826/step, 4.30242 hours remaining, 225.890625 MB of memory in use. ENERGY: 95800 3957.9267 20531.9236 14534.4529 237.1703 -203110.4509 2419.2424 0.0000 0.0000 51561.2446 -109868.4906 296.3232 -161429.7351 -109513.2419 297.7840 -195.6021 -166.3460 762231.3271 0.4911 0.3637 PRESSURE: 96000 -444.377 -18.8974 79.1595 -18.8974 -250.153 -13.9821 79.16 -13.982 -225.431 GPRESSURE: 96000 -447.191 -28.1553 11.9478 8.19147 -217.878 43.1762 -65.9884 111.897 -157.734 PRESSAVG: 96000 -32.7866 27.9495 -43.9585 27.9494 34.4874 36.9165 -43.9585 36.9166 -10.7441 GPRESSAVG: 96000 -34.0298 25.6783 -44.1381 30.8015 35.7431 37.2075 -43.8711 36.315 -10.6042 TIMING: 96000 CPU: 302.051, 0.00316894/step Wall: 302.051, 0.00316894/step, 4.3168 hours remaining, 225.890625 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: 96000 3965.0388 20477.6333 14497.9498 260.2202 -203418.0436 2698.1306 0.0000 0.0000 51660.8149 -109858.2560 296.8954 -161519.0709 -109491.0455 297.8394 -306.6536 -274.2674 762897.6417 -3.0144 -2.9637 PRESSURE: 96200 -357.101 95.8784 -316.189 95.8785 -259.755 99.6255 -316.19 99.626 -177.296 GPRESSURE: 96200 -361.978 142.318 -307.659 -95.5358 -204.771 90.9135 -201.353 198.167 -140.848 PRESSAVG: 96200 -39.8825 52.0296 -52.487 52.0296 52.5917 24.9568 -52.487 24.9568 7.0385 GPRESSAVG: 96200 -39.7122 55.202 -51.3835 51.5553 52.6327 24.4526 -52.491 22.439 6.94691 TIMING: 96200 CPU: 302.682, 0.00315357/step Wall: 302.682, 0.00315357/step, 4.29568 hours remaining, 225.890625 MB of memory in use. ENERGY: 96200 4012.8128 20469.7438 14453.6483 267.3066 -203106.9706 2385.5668 0.0000 0.0000 51779.5087 -109738.3837 297.5775 -161517.8924 -109377.4795 297.7891 -264.7172 -235.8655 762585.2817 6.5826 6.6225 LDB: ============= START OF LOAD BALANCING ============== 315.216 LDB: ============== END OF LOAD BALANCING =============== 315.216 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 315.218 LDB: ============= START OF LOAD BALANCING ============== 315.534 LDB: Largest compute 7060 load 0.032083 is 16.5% of average load 0.194810 LDB: Average compute 0.004364 is 2.2% of average load 0.194810 LDB: TIME 315.538 LOAD: AVG 0.19481 MAX 0.216324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 226.336 MB LDB: TIME 315.538 LOAD: AVG 0.19481 MAX 0.216324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.336 MB LDB: TIME 315.538 LOAD: AVG 0.19481 MAX 0.216324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 226.336 MB LDB: ============== END OF LOAD BALANCING =============== 315.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 315.545 PRESSURE: 96400 -213.994 96.7755 109.757 96.7749 -283.532 -115.598 109.758 -115.599 -656.555 GPRESSURE: 96400 -207.017 94.3836 116.465 38.8201 -248.25 -118.295 -47.3754 -133.657 -621.102 PRESSAVG: 96400 -64.8568 26.7125 -6.88586 26.7125 23.2325 62.0877 -6.88586 62.0877 -10.6405 GPRESSAVG: 96400 -65.3426 26.3608 -6.66242 24.8114 23.1802 63.6646 -6.34783 62.6241 -10.263 TIMING: 96400 CPU: 303.328, 0.00323054/step Wall: 303.328, 0.00323054/step, 4.40035 hours remaining, 225.378906 MB of memory in use. ENERGY: 96400 4028.5035 20468.3041 14512.1162 230.9456 -203257.4790 2577.4269 0.0000 0.0000 51873.4344 -109566.7484 298.1173 -161440.1828 -109212.1602 298.2941 -384.6939 -358.7895 762527.1496 -17.4216 -17.4751 PRESSURE: 96600 393.02 15.8961 10.5267 15.8953 -4.21645 -185.787 10.5274 -185.787 109.586 GPRESSURE: 96600 376.312 -15.1222 -24.9897 -6.7846 135.11 -122.535 143.439 -101.472 73.4471 PRESSAVG: 96600 -39.8619 38.2813 -37.3417 38.2812 -6.18034 16.2252 -37.3417 16.2252 -4.25954 GPRESSAVG: 96600 -39.061 38.8767 -37.5085 37.2026 -6.0927 15.9111 -38.8696 16.0912 -5.29432 TIMING: 96600 CPU: 303.965, 0.00318537/step Wall: 303.965, 0.00318537/step, 4.33865 hours remaining, 225.582031 MB of memory in use. ENERGY: 96600 4028.6782 20580.9212 14431.4475 253.7387 -203609.4486 2900.8593 0.0000 0.0000 51937.1724 -109476.6314 298.4836 -161413.8038 -109129.5720 298.5236 166.1297 194.9563 762518.7319 -16.7673 -16.8160 PRESSURE: 96800 -277.589 -247.083 88.0935 -247.083 -398.548 -125.035 88.0934 -125.036 189.675 GPRESSURE: 96800 -253.761 -267.092 60.1983 -217.966 -353.235 -40.0671 138.945 -43.4788 218.801 PRESSAVG: 96800 -4.81277 -13.8224 -24.1847 -13.8224 -21.1446 -43.1832 -24.1847 -43.1832 16.0032 GPRESSAVG: 96800 -4.40287 -15.004 -25.832 -11.8177 -22.841 -42.8065 -22.0463 -42.6287 17.0194 TIMING: 96800 CPU: 304.6, 0.00317255/step Wall: 304.6, 0.00317255/step, 4.32101 hours remaining, 225.582031 MB of memory in use. ENERGY: 96800 3950.2269 20579.6510 14469.1306 259.8797 -203120.7641 2342.8856 0.0000 0.0000 52097.2707 -109421.7196 299.4037 -161518.9903 -109043.6493 298.9087 -162.1541 -129.3983 763532.6065 -3.3181 -3.4082 PRESSURE: 97000 178.53 -238.524 -199.153 -238.524 -25.5458 42.8526 -199.154 42.8529 -7.06073 GPRESSURE: 97000 70.9524 -232.124 -257.763 -243.965 174.391 12.2383 -198.877 140.855 -0.763702 PRESSAVG: 97000 -39.3185 -4.70758 -20.6393 -4.70755 34.6037 55.2393 -20.6393 55.2393 3.59168 GPRESSAVG: 97000 -38.9696 -5.17038 -20.6017 -5.80213 33.148 53.4666 -20.9815 53.7441 3.94979 TIMING: 97000 CPU: 305.229, 0.00314585/step Wall: 305.229, 0.00314585/step, 4.28448 hours remaining, 225.582031 MB of memory in use. ENERGY: 97000 3965.1163 20432.1937 14535.9830 242.1377 -203470.4743 2918.7594 0.0000 0.0000 52055.5260 -109320.7581 299.1638 -161376.2841 -108958.1239 299.0861 48.6410 81.5267 762844.8633 -0.3744 -0.6239 PRESSURE: 97200 -20.0781 215.638 -29.6422 215.639 -71.8791 18.6852 -29.6422 18.6845 -238.465 GPRESSURE: 97200 27.1682 217.883 -66.477 183.99 -54.1494 55.942 27.3918 106.403 -226.911 PRESSAVG: 97200 -10.4679 12.3075 0.264448 12.3075 21.71 -24.292 0.264469 -24.292 9.90649 GPRESSAVG: 97200 -10.7956 13.28 1.22184 10.9072 22.5604 -24.7556 1.44975 -22.091 9.40691 TIMING: 97200 CPU: 305.863, 0.00317332/step Wall: 305.863, 0.00317332/step, 4.32171 hours remaining, 225.582031 MB of memory in use. ENERGY: 97200 4066.8340 20468.7449 14510.1554 273.2775 -203462.2454 2717.1143 0.0000 0.0000 51988.6423 -109437.4771 298.7794 -161426.1194 -109075.8525 298.9132 -110.1408 -84.6306 763497.3433 7.0495 7.0572 PRESSURE: 97400 4.58991 104.041 -70.7284 104.042 137.362 -43.3333 -70.7281 -43.334 -497.179 GPRESSURE: 97400 78.0588 108.439 -18.9932 72.2392 129.498 -71.8689 -62.9746 67.9231 -449.258 PRESSAVG: 97400 48.7494 -23.4789 56.5785 -23.4788 -42.3433 39.5928 56.5785 39.5929 -7.46606 GPRESSAVG: 97400 48.8583 -24.0216 55.9712 -22.8836 -42.8625 38.9168 56.5149 38.9784 -6.50357 TIMING: 97400 CPU: 306.498, 0.00317418/step Wall: 306.498, 0.00317418/step, 4.32271 hours remaining, 225.582031 MB of memory in use. ENERGY: 97400 3957.4945 20291.9472 14472.2264 242.9638 -203343.2687 2656.9459 0.0000 0.0000 52102.4068 -109619.2841 299.4332 -161721.6909 -109240.7944 298.9768 -118.4088 -80.5671 762150.5617 -0.3533 -0.1693 PRESSURE: 97600 84.6471 -36.3434 -215.778 -36.3437 206.002 -196.936 -215.777 -196.936 20.4493 GPRESSURE: 97600 100.435 -52.6627 -218.357 -33.2202 204.446 -179.991 -160.562 -121.979 80.2284 PRESSAVG: 97600 21.9629 15.7999 40.8162 15.7999 -15.1059 13.095 40.8162 13.0949 -16.5778 GPRESSAVG: 97600 21.5091 14.7071 41.2472 17.6166 -14.8097 15.4921 39.8578 11.6491 -16.6956 TIMING: 97600 CPU: 307.129, 0.00315182/step Wall: 307.129, 0.00315182/step, 4.29208 hours remaining, 225.582031 MB of memory in use. ENERGY: 97600 3933.0005 20679.9374 14517.8308 247.8051 -203160.2027 2555.8281 0.0000 0.0000 51680.0610 -109545.7400 297.0060 -161225.8009 -109193.3905 298.5274 103.6996 128.3699 764040.6663 -3.2403 -3.3321 PRESSURE: 97800 -227.848 175.61 -85.29 175.609 253.054 28.0281 -85.2901 28.0277 -163.961 GPRESSURE: 97800 -115.586 63.4498 14.0901 66.3873 260.862 -35.6925 -26.4849 -13.3317 -175.991 PRESSAVG: 97800 46.3915 -11.088 -22.3767 -11.088 -54.2907 68.6213 -22.3767 68.6212 -3.62124 GPRESSAVG: 97800 45.7037 -10.4075 -22.6891 -12.0432 -53.2094 66.1661 -21.6188 70.7293 -3.82908 TIMING: 97800 CPU: 307.762, 0.00316639/step Wall: 307.762, 0.00316639/step, 4.31175 hours remaining, 225.582031 MB of memory in use. ENERGY: 97800 4112.0141 20454.9721 14429.7514 240.0306 -203345.9758 2663.6918 0.0000 0.0000 52033.1558 -109412.3601 299.0353 -161445.5158 -109044.5367 298.4005 -46.2518 -10.2384 762195.3351 -3.8401 -3.7783 PRESSURE: 98000 -593.85 9.82446 -270.632 9.82504 -48.2852 -280.232 -270.633 -280.231 -237.915 GPRESSURE: 98000 -514.639 18.6141 -224.666 -3.57047 -70.7081 -131.967 -242.695 -230.299 -208.013 PRESSAVG: 98000 17.9851 -17.0612 -50.9028 -17.0611 -36.6432 4.98107 -50.9028 4.9811 -1.4727 GPRESSAVG: 98000 18.3535 -17.6472 -50.386 -16.3958 -36.0837 5.90737 -51.7962 4.48899 -2.28133 TIMING: 98000 CPU: 308.398, 0.00317999/step Wall: 308.398, 0.00317999/step, 4.33009 hours remaining, 225.582031 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: 98000 4097.2080 20511.6423 14533.1265 257.6567 -203521.9995 2694.9386 0.0000 0.0000 51963.4836 -109463.9437 298.6349 -161427.4273 -109100.8338 298.7836 -293.3499 -264.4533 761662.3540 -6.7103 -6.6705 PRESSURE: 98200 130.129 -165.16 20.9899 -165.16 83.2268 170.351 20.9901 170.351 114.447 GPRESSURE: 98200 157.559 -102.369 40.8573 -171.105 108.234 49.8398 4.92039 184.36 122.147 PRESSAVG: 98200 -61.4771 23.3557 9.73723 23.3558 45.3922 13.1701 9.7372 13.1701 -12.489 GPRESSAVG: 98200 -61.1681 22.7877 9.05164 23.967 44.7798 14.886 10.51 13.9105 -12.7866 TIMING: 98200 CPU: 309.024, 0.00312921/step Wall: 309.024, 0.00312921/step, 4.26077 hours remaining, 225.582031 MB of memory in use. ENERGY: 98200 3908.5964 20430.1289 14493.1813 243.0203 -203210.6590 2628.5105 0.0000 0.0000 51964.7063 -109542.5152 298.6419 -161507.2215 -109189.5510 298.6618 109.2676 129.3133 762888.2869 -9.5246 -9.7249 PRESSURE: 98400 -95.1727 344.68 -161.415 344.679 31.1763 94.0336 -161.416 94.0339 -169.504 GPRESSURE: 98400 32.983 359.267 -223.3 338.648 43.8393 -21.5235 -256.851 -85.9437 -192.127 PRESSAVG: 98400 8.79953 13.7793 -33.0381 13.7793 -4.62852 15.6464 -33.0381 15.6463 0.447939 GPRESSAVG: 98400 7.42035 15.6825 -32.6098 13.1056 -3.97437 11.6671 -35.3305 12.7721 1.60827 TIMING: 98400 CPU: 309.649, 0.00312685/step Wall: 309.649, 0.00312685/step, 4.25738 hours remaining, 225.582031 MB of memory in use. ENERGY: 98400 4012.5878 20297.5493 14466.1303 263.3547 -203142.9254 2753.6110 0.0000 0.0000 51831.4915 -109518.2007 297.8763 -161349.6923 -109158.8036 297.9361 -77.8335 -38.4349 763652.3767 1.5396 1.6848 PRESSURE: 98600 -143.72 -89.7817 -38.0217 -89.7823 149.057 -243.38 -38.0216 -243.379 -336.794 GPRESSURE: 98600 -188.072 -14.6182 -51.9364 -159.088 182.64 -306.779 58.7642 -162.048 -242.56 PRESSAVG: 98600 -42.2555 58.078 -54.8297 58.078 32.1082 -23.8552 -54.8297 -23.8552 3.89674 GPRESSAVG: 98600 -42.0743 56.9239 -54.8576 56.6794 32.713 -20.772 -53.5165 -22.421 3.00747 TIMING: 98600 CPU: 310.273, 0.00312024/step Wall: 310.273, 0.00312024/step, 4.2482 hours remaining, 225.582031 MB of memory in use. ENERGY: 98600 4046.0850 20592.7432 14439.8710 249.0330 -203607.0611 2798.8121 0.0000 0.0000 52085.8834 -109394.6334 299.3383 -161480.5168 -109028.1151 298.6572 -110.4857 -82.6636 762653.2904 -2.0835 -2.1179 PRESSURE: 98800 -483.678 120.671 150.194 120.671 -344.153 13.3031 150.195 13.3027 -259.758 GPRESSURE: 98800 -445.301 74.372 135.65 56.9673 -294.296 31.34 31.27 120.432 -286.656 PRESSAVG: 98800 -67.5626 51.0657 -28.2807 51.0658 37.2492 -5.85888 -28.2807 -5.85877 -5.57016 GPRESSAVG: 98800 -66.7902 51.0937 -29.7674 49.723 35.6737 -5.91443 -28.9234 -4.5066 -4.4336 TIMING: 98800 CPU: 310.899, 0.00313065/step Wall: 310.899, 0.00313065/step, 4.2622 hours remaining, 225.582031 MB of memory in use. ENERGY: 98800 4025.2653 20395.9454 14402.6940 232.2926 -203195.0145 2614.4861 0.0000 0.0000 52083.0524 -109441.2787 299.3220 -161524.3311 -109085.3859 298.9828 -362.5299 -342.0844 764716.1214 -11.9612 -11.8500 PRESSURE: 99000 48.9662 -234.596 41.9063 -234.596 -209.141 105.823 41.9063 105.822 1.35206 GPRESSURE: 99000 17.5344 -128.693 67.5757 -150.702 -108.616 66.2238 -7.73319 82.2884 21.2712 PRESSAVG: 99000 20.4793 -25.1466 -31.9697 -25.1466 -56.5839 -38.6174 -31.9697 -38.6174 29.0661 GPRESSAVG: 99000 20.253 -24.7089 -30.7684 -22.8595 -55.7215 -39.4291 -31.8296 -39.8566 28.5278 TIMING: 99000 CPU: 311.523, 0.00311955/step Wall: 311.523, 0.00311955/step, 4.24692 hours remaining, 225.582031 MB of memory in use. ENERGY: 99000 4011.9596 20554.7529 14520.0043 266.9630 -203647.3134 2920.5302 0.0000 0.0000 51865.0109 -109508.0927 298.0689 -161373.1036 -109156.7088 298.8460 -52.9410 -23.2702 762230.1626 -2.3462 -2.3136 PRESSURE: 99200 20.5322 -87.4667 347.955 -87.4676 -125.448 304.666 347.954 304.666 204.551 GPRESSURE: 99200 32.6107 -14.5628 233.247 -113.032 -53.9225 251.154 234.021 144.455 201.146 PRESSAVG: 99200 45.3049 2.7405 -34.8535 2.74052 -7.06199 12.0601 -34.8534 12.0601 8.43665 GPRESSAVG: 99200 46.0283 3.91487 -34.6811 -0.404741 -7.20694 13.3706 -34.5544 10.8851 8.24 TIMING: 99200 CPU: 312.148, 0.00312497/step Wall: 312.148, 0.00312497/step, 4.25413 hours remaining, 225.582031 MB of memory in use. ENERGY: 99200 3953.4937 20578.9253 14511.2811 259.3155 -203678.6935 2972.5185 0.0000 0.0000 51703.9853 -109699.1741 297.1435 -161403.1594 -109340.9138 299.0540 33.2116 59.9448 761174.0476 15.5599 15.6871 PRESSURE: 99400 -24.8044 -207.645 -142.334 -207.645 -246.65 -47.1853 -142.333 -47.185 -594.544 GPRESSURE: 99400 -39.7838 -143.988 -117.981 -179.417 -119.721 -48.8459 -238.652 69.4794 -602.176 PRESSAVG: 99400 -13.7234 -2.99849 -20.9693 -2.99849 -25.4329 -19.2089 -20.9693 -19.2089 12.1396 GPRESSAVG: 99400 -13.9321 -2.93898 -20.9036 1.75093 -24.3492 -20.7168 -20.4706 -19.3612 11.2529 TIMING: 99400 CPU: 312.776, 0.00313673/step Wall: 312.776, 0.00313673/step, 4.26996 hours remaining, 225.582031 MB of memory in use. ENERGY: 99400 3990.6886 20472.4948 14434.9937 259.7084 -203500.5629 2672.1221 0.0000 0.0000 52057.5578 -109612.9976 299.1755 -161670.5554 -109256.9960 298.7142 -288.6662 -253.8935 762781.1028 -9.0055 -9.0095 PRESSURE: 99600 -234.034 -160.29 213.789 -160.29 40.337 -164.523 213.788 -164.522 -114.866 GPRESSURE: 99600 -68.2656 -122.276 170.824 -16.0255 -48.9884 -140.438 111.149 -212.428 -98.1632 PRESSAVG: 99600 25.0449 -26.2642 -16.8355 -26.2642 -27.7492 -36.2256 -16.8355 -36.2255 -6.0372 GPRESSAVG: 99600 23.9416 -27.8433 -17.1932 -27.8673 -27.8937 -35.9338 -17.6653 -34.8264 -5.35418 TIMING: 99600 CPU: 313.407, 0.00315879/step Wall: 313.407, 0.00315879/step, 4.29982 hours remaining, 225.582031 MB of memory in use. ENERGY: 99600 4034.6324 20381.7596 14481.0828 234.2790 -203411.1582 2552.1218 0.0000 0.0000 52392.8421 -109334.4405 301.1024 -161727.2825 -108963.0207 299.5380 -102.8543 -71.8057 762832.0127 -2.9139 -3.1021 PRESSURE: 99800 -64.2054 -62.5979 -18.2135 -62.5983 -163.888 -106.601 -18.213 -106.602 -162.66 GPRESSURE: 99800 -123.082 -79.6648 -20.7824 -137.052 -59.5195 -102.216 -153.311 -73.5273 -150.634 PRESSAVG: 99800 -28.4639 -18.3989 -0.221619 -18.3989 -3.69755 -26.3267 -0.221608 -26.3266 -2.08096 GPRESSAVG: 99800 -27.6852 -18.6224 -0.225928 -19.0884 -3.83969 -24.2545 0.906052 -28.6152 -2.39631 TIMING: 99800 CPU: 314.042, 0.00317166/step Wall: 314.042, 0.00317166/step, 4.31716 hours remaining, 225.582031 MB of memory in use. ENERGY: 99800 3985.2571 20574.6793 14564.1010 252.1127 -203615.3690 2775.9801 0.0000 0.0000 52039.3655 -109423.8733 299.0709 -161463.2388 -109056.9277 299.0838 -130.2513 -111.0786 762448.5975 -11.4141 -11.3071 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.032 seconds, 229.961 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.013 seconds, 231.297 MB of memory in use PRESSURE: 100000 441.397 -77.284 -4.5821 -77.2838 -15.7422 -140.101 -4.58313 -140.101 270.896 GPRESSURE: 100000 447.77 -174.826 2.98156 -209.301 43.6692 -51.1229 8.93648 -72.5258 273.359 PRESSAVG: 100000 20.5687 -23.7582 -13.6656 -23.7582 -33.9683 -63.3345 -13.6656 -63.3346 -17.1988 GPRESSAVG: 100000 20.8411 -23.213 -13.6174 -24.762 -33.9361 -63.6948 -13.1165 -61.9504 -17.4286 TIMING: 100000 CPU: 314.724, 0.00340973/step Wall: 314.724, 0.00340973/step, 4.64103 hours remaining, 231.300781 MB of memory 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 3990.5141 20648.9751 14422.7829 231.1035 -203608.5483 2991.2915 0.0000 0.0000 51963.5556 -109360.3256 298.6353 -161323.8812 -109011.5102 298.8707 232.1837 254.9330 761760.7024 -10.1995 -10.1745 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 PRESSURE: 100200 -201.794 192.203 -59.8064 192.203 -332.52 275.68 -59.8073 275.679 102.94 GPRESSURE: 100200 -196.564 184.078 -10.5106 129.972 -245.749 292.004 -90.2748 186.81 104.042 PRESSAVG: 100200 60.5183 -35.3705 -32.8729 -35.3705 -74.4884 60.3175 -32.8729 60.3175 -2.98437 GPRESSAVG: 100200 58.732 -35.8958 -33.5719 -34.647 -73.9622 57.8528 -32.3064 60.1332 -2.17682 TIMING: 100200 CPU: 315.371, 0.00323499/step Wall: 315.371, 0.003235/step, 4.40301 hours remaining, 231.300781 MB of memory in use. ENERGY: 100200 4043.1273 20648.2747 14523.6439 227.2202 -203325.8345 2623.0085 0.0000 0.0000 52041.2959 -109219.2640 299.0820 -161260.5599 -108856.0120 299.3120 -143.7914 -112.7569 762819.4052 -5.6515 -5.8023 LDB: ============= START OF LOAD BALANCING ============== 327.906 LDB: ============== END OF LOAD BALANCING =============== 327.906 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 327.908 LDB: ============= START OF LOAD BALANCING ============== 328.223 LDB: Largest compute 7060 load 0.031488 is 16.2% of average load 0.194848 LDB: Average compute 0.004378 is 2.2% of average load 0.194848 LDB: TIME 328.226 LOAD: AVG 0.194848 MAX 0.213672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.355 MB LDB: TIME 328.226 LOAD: AVG 0.194848 MAX 0.213672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.355 MB LDB: TIME 328.226 LOAD: AVG 0.194848 MAX 0.213672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.355 MB LDB: ============== END OF LOAD BALANCING =============== 328.228 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 328.233 PRESSURE: 100400 -202.301 129.597 216.81 129.596 67.9851 -2.66658 216.81 -2.66525 47.3683 GPRESSURE: 100400 -58.3805 84.377 192.924 145.092 3.30464 -47.9127 167.027 -17.7133 51.2499 PRESSAVG: 100400 37.4809 -2.39573 2.71738 -2.39573 -63.7482 -32.9945 2.71736 -32.9945 -2.98987 GPRESSAVG: 100400 37.793 -3.82398 3.9267 -1.29337 -64.6483 -30.8163 1.20807 -32.945 -2.54764 TIMING: 100400 CPU: 316.017, 0.00322977/step Wall: 316.017, 0.00322977/step, 4.39572 hours remaining, 230.929688 MB of memory in use. ENERGY: 100400 3988.4716 20550.8175 14474.2151 259.9859 -203444.2188 2573.9891 0.0000 0.0000 52256.9500 -109339.7896 300.3214 -161596.7396 -108971.8860 299.0827 -28.9827 -1.2753 761698.2016 -9.7524 -9.8010 PRESSURE: 100600 279.78 -191.804 -97.2886 -191.804 131.861 -57.8468 -97.2882 -57.8469 -171.562 GPRESSURE: 100600 304.651 -65.7849 -104.695 -285.24 115.461 -40.8403 -40.597 -123.449 -106.682 PRESSAVG: 100600 53.6222 -20.9713 -3.86198 -20.9713 -71.5051 10.4216 -3.86201 10.4215 -5.85576 GPRESSAVG: 100600 54.562 -20.9879 -4.43848 -21.4458 -72.0835 8.4415 -3.05502 10.2312 -6.35506 TIMING: 100600 CPU: 316.648, 0.00315831/step Wall: 316.648, 0.00315831/step, 4.29828 hours remaining, 231.132812 MB of memory in use. ENERGY: 100600 4005.0761 20483.8572 14486.4654 269.4495 -203558.0594 2854.2462 0.0000 0.0000 52248.6513 -109210.3136 300.2737 -161458.9649 -108846.0616 299.8014 80.0261 104.4766 761151.1914 -7.9129 -7.9588 PRESSURE: 100800 97.5431 -277.449 161.42 -277.448 121.128 -7.43508 161.42 -7.43635 -213.094 GPRESSURE: 100800 92.1297 -238.788 119.765 -172.897 136.309 6.45743 157.06 75.8113 -126.114 PRESSAVG: 100800 109.39 -33.455 -7.9971 -33.455 -78.1887 -28.1143 -7.99704 -28.1143 -2.87729 GPRESSAVG: 100800 109.67 -33.0166 -7.63314 -32.4294 -78.3953 -27.3973 -9.4458 -26.6418 -2.37463 TIMING: 100800 CPU: 317.276, 0.00314092/step Wall: 317.276, 0.00314092/step, 4.27444 hours remaining, 231.132812 MB of memory in use. ENERGY: 100800 4031.7188 20471.5470 14423.3540 245.4386 -203583.0375 2855.4627 0.0000 0.0000 52200.7836 -109354.7328 299.9986 -161555.5163 -108996.8858 299.6711 1.8588 34.1084 762074.8895 9.4412 9.6333 PRESSURE: 101000 -49.6075 41.2221 79.8672 41.2228 -122.915 -83.5805 79.8666 -83.58 36.4298 GPRESSURE: 101000 -52.8081 22.7499 126.286 42.5331 -39.0469 -85.3782 48.5262 -55.8956 44.2887 PRESSAVG: 101000 15.0886 -19.6495 34.7359 -19.6494 5.80441 9.79996 34.7359 9.79984 -3.35835 GPRESSAVG: 101000 14.189 -19.2512 34.5152 -21.6651 5.96982 10.2027 37.6883 9.29377 -2.74147 TIMING: 101000 CPU: 317.91, 0.00316748/step Wall: 317.91, 0.00316748/step, 4.31041 hours remaining, 231.132812 MB of memory in use. ENERGY: 101000 4046.4825 20579.6402 14453.6257 237.7741 -203434.6469 2617.4053 0.0000 0.0000 52342.7218 -109156.9973 300.8143 -161499.7191 -108792.9845 299.5771 -45.3642 -15.8554 763377.6792 5.8449 5.8058 PRESSURE: 101200 -44.2433 91.9565 -84.1119 91.957 70.0481 236.398 -84.112 236.398 97.3782 GPRESSURE: 101200 19.8136 18.9107 -148.934 59.384 139.488 171.489 -85.7515 286.296 62.0773 PRESSAVG: 101200 33.0398 -57.0903 19.9528 -57.0903 -32.5338 48.9382 19.9528 48.9382 -4.96011 GPRESSAVG: 101200 33.6208 -57.3843 19.7989 -55.3041 -32.6066 47.1014 18.1538 47.86 -5.69861 TIMING: 101200 CPU: 318.539, 0.0031464/step Wall: 318.539, 0.0031464/step, 4.28155 hours remaining, 231.132812 MB of memory in use. ENERGY: 101200 4006.3945 20470.7948 14526.1884 258.9633 -204025.5527 3398.8770 0.0000 0.0000 52218.5531 -109145.7816 300.1007 -161364.3347 -108774.1566 299.8252 41.0610 73.7930 761790.7921 -1.4847 -1.5615 PRESSURE: 101400 -174.833 245.136 49.2269 245.137 -390.268 -139.149 49.2269 -139.148 254.218 GPRESSURE: 101400 -82.9954 392.79 -9.43224 265.554 -289.632 -233.973 83.7511 -220.819 154.578 PRESSAVG: 101400 -4.32245 1.89808 17.6706 1.89814 47.5602 25.3344 17.6706 25.3344 12.0752 GPRESSAVG: 101400 -4.39746 3.82726 16.5354 0.23206 47.4637 26.6093 17.2642 25.4223 11.6982 TIMING: 101400 CPU: 319.17, 0.00315525/step Wall: 319.17, 0.00315525/step, 4.29342 hours remaining, 231.132812 MB of memory in use. ENERGY: 101400 4096.1221 20549.9757 14437.6035 281.1724 -203164.3291 2618.7104 0.0000 0.0000 51970.9897 -109209.7554 298.6780 -161180.7451 -108854.6308 299.5730 -103.6276 -72.6832 763765.7380 18.4377 18.2548 PRESSURE: 101600 -319.839 -64.1372 -101.611 -64.1369 -68.7332 -47.0174 -101.61 -47.0179 -138.943 GPRESSURE: 101600 -378.016 -168.073 -95.4524 -58.6662 -19.3746 -42.7293 -176.915 55.8328 -33.9001 PRESSAVG: 101600 -7.80309 71.2094 -33.3566 71.2094 -23.3506 -41.0823 -33.3566 -41.0823 -21.9401 GPRESSAVG: 101600 -8.98637 69.8185 -30.6581 72.4981 -22.6603 -40.2177 -32.4184 -42.0793 -21.3615 TIMING: 101600 CPU: 319.81, 0.00319845/step Wall: 319.81, 0.00319845/step, 4.35203 hours remaining, 231.132812 MB of memory in use. ENERGY: 101600 4073.6641 20573.9568 14403.0414 258.7146 -203260.3168 2492.3455 0.0000 0.0000 52179.7842 -109278.8101 299.8779 -161458.5943 -108909.5107 299.3674 -175.8385 -143.7636 763586.7797 -17.6979 -17.6694 PRESSURE: 101800 -2.71255 277.971 -70.3036 277.97 -55.4728 14.3414 -70.3037 14.3424 -18.6196 GPRESSURE: 101800 69.3759 339.187 -101.774 224.896 -30.0443 -24.6838 -138.035 -68.6658 -37.4618 PRESSAVG: 101800 -42.8271 17.5289 -7.83115 17.5289 19.6578 10.1606 -7.83121 10.1607 -7.20895 GPRESSAVG: 101800 -41.6288 15.8723 -8.80096 18.8403 18.6697 9.36344 -8.62706 10.6145 -7.25281 TIMING: 101800 CPU: 320.442, 0.00316075/step Wall: 320.442, 0.00316075/step, 4.30055 hours remaining, 231.132812 MB of memory in use. ENERGY: 101800 3997.7434 20547.4678 14368.0467 229.1948 -203710.7068 3246.3518 0.0000 0.0000 51996.1165 -109325.7859 298.8224 -161321.9024 -108960.3338 299.0432 -25.6016 0.6232 764181.9410 -10.1261 -10.0706 PRESSURE: 102000 308.074 99.616 159.226 99.6168 51.0788 -101.474 159.226 -101.472 44.5264 GPRESSURE: 102000 332.566 45.9461 176.678 -86.195 40.6529 -140.4 120.919 40.6758 119.89 PRESSAVG: 102000 -74.6748 38.6869 -15.2159 38.6869 10.937 -7.48632 -15.2159 -7.4863 13.1387 GPRESSAVG: 102000 -75.3174 39.6995 -16.1657 37.2321 11.1435 -6.6965 -15.2766 -8.06234 13.2325 TIMING: 102000 CPU: 321.074, 0.00316153/step Wall: 321.074, 0.00316153/step, 4.30143 hours remaining, 231.132812 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: 102000 3956.0843 20405.0798 14453.8328 255.2562 -203607.3566 3048.5872 0.0000 0.0000 51931.2023 -109557.3140 298.4493 -161488.5163 -109192.9916 299.0918 134.5598 164.3696 764987.1188 -16.8664 -16.9804 PRESSURE: 102200 150.15 278.948 0.356985 278.948 124.761 -63.4323 0.357509 -63.4312 174.715 GPRESSURE: 102200 138.041 175.51 55.3031 306.607 179.031 -37.2275 14.5143 -24.8654 217.144 PRESSAVG: 102200 -2.73078 0.847085 12.2811 0.847103 73.9182 -7.97809 12.2811 -7.97812 8.42157 GPRESSAVG: 102200 -2.75014 0.765372 14.5289 1.30881 74.2168 -7.5303 9.74997 -5.80631 7.72927 TIMING: 102200 CPU: 321.702, 0.00313831/step Wall: 321.702, 0.00313831/step, 4.26967 hours remaining, 231.132812 MB of memory in use. ENERGY: 102200 3955.7873 20530.0069 14437.8566 254.2443 -203419.4943 2868.4251 0.0000 0.0000 52027.3888 -109345.7853 299.0021 -161373.1741 -108982.6206 299.1236 149.8751 178.0721 763414.4568 26.5363 26.3986 PRESSURE: 102400 31.9295 61.3405 282.759 61.3413 -32.3513 8.51377 282.759 8.51418 105.384 GPRESSURE: 102400 60.6439 100.849 314.15 59.0413 54.6959 98.0606 202.893 -82.4441 79.0906 PRESSAVG: 102400 -28.173 65.4393 -34.0071 65.4393 -25.7842 9.21314 -34.0072 9.2132 -10.3257 GPRESSAVG: 102400 -27.3003 65.7783 -34.9479 66.1493 -25.1046 9.49871 -32.3268 6.38967 -10.8886 TIMING: 102400 CPU: 322.335, 0.00316682/step Wall: 322.335, 0.00316682/step, 4.30828 hours remaining, 231.132812 MB of memory in use. ENERGY: 102400 3931.4795 20633.6715 14426.8853 250.8971 -203788.5091 3069.5406 0.0000 0.0000 51990.0500 -109485.9851 298.7875 -161476.0350 -109119.7281 299.0553 34.9873 64.8102 762461.6835 -21.4276 -21.0978 PRESSURE: 102600 -131.217 54.5519 -69.2214 54.5535 -43.5413 -125.351 -69.221 -125.35 -211.164 GPRESSURE: 102600 -129.393 36.2034 -37.2527 38.0413 51.4792 -46.5496 -172.786 -218.709 -232.365 PRESSAVG: 102600 36.3047 13.1682 -46.7756 13.1682 -86.8442 -7.98153 -46.7756 -7.98159 11.063 GPRESSAVG: 102600 35.1967 13.0212 -47.3994 13.1566 -86.35 -10.4185 -47.0373 -4.9721 11.9625 TIMING: 102600 CPU: 322.962, 0.0031343/step Wall: 322.962, 0.0031343/step, 4.26387 hours remaining, 231.132812 MB of memory in use. ENERGY: 102600 3996.3818 20642.5289 14527.6988 243.9039 -203322.4301 2440.4419 0.0000 0.0000 51883.8430 -109587.6318 298.1772 -161471.4748 -109227.6791 298.7776 -128.6406 -103.4261 762528.9133 -13.1588 -13.0636 PRESSURE: 102800 297.661 -17.0004 167.109 -17 -551.118 69.0654 167.109 69.0645 -45.9134 GPRESSURE: 102800 341.281 -91.4843 103.582 5.59321 -526.354 -27.2377 121.16 -61.9984 -15.9902 PRESSAVG: 102800 20.7705 -59.8902 -5.06953 -59.8902 -49.797 14.0982 -5.06955 14.0983 15.0228 GPRESSAVG: 102800 20.6703 -61.1654 -5.09342 -59.3284 -49.8197 15.9868 -5.24463 11.4015 15.2073 TIMING: 102800 CPU: 323.592, 0.00314928/step Wall: 323.592, 0.00314928/step, 4.28407 hours remaining, 231.132812 MB of memory in use. ENERGY: 102800 3974.8681 20477.5825 14422.3512 248.7969 -203377.7474 2612.5582 0.0000 0.0000 52087.1106 -109554.4799 299.3453 -161641.5905 -109185.4367 298.7098 -99.7901 -67.0210 763854.7871 -4.6679 -4.6474 PRESSURE: 103000 -75.4557 -189.57 108.62 -189.57 -41.4621 -24.9805 108.619 -24.9813 -64.0516 GPRESSURE: 103000 -18.1055 -125.423 89.6729 -149.786 -107.872 6.48632 90.2721 57.1101 34.252 PRESSAVG: 103000 45.1845 24.8801 7.56401 24.8801 -23.0742 -36.8163 7.56401 -36.8163 -12.3573 GPRESSAVG: 103000 45.9787 25.8084 8.34388 24.482 -24.6326 -36.7429 8.3501 -35.8524 -11.8783 TIMING: 103000 CPU: 324.22, 0.0031404/step Wall: 324.22, 0.0031404/step, 4.27182 hours remaining, 231.132812 MB of memory in use. ENERGY: 103000 3983.7481 20547.6478 14486.7913 251.5539 -203813.1017 3002.7290 0.0000 0.0000 52064.5865 -109476.0452 299.2159 -161540.6318 -109113.7535 298.5827 -60.3231 -30.5751 762290.3529 3.2510 3.1559 PRESSURE: 103200 281.236 117.597 105.394 117.597 -186.936 -164.726 105.395 -164.727 -70.5179 GPRESSURE: 103200 219.028 61.7815 133.138 203.428 -140.081 -148.994 84.8315 -181.519 21.248 PRESSAVG: 103200 6.35141 -20.7778 -1.43166 -20.7777 -36.4334 -15.8547 -1.43166 -15.8546 9.30914 GPRESSAVG: 103200 6.46906 -21.7038 -0.143334 -22.9511 -35.9838 -17.0069 -1.67836 -14.8709 8.04013 TIMING: 103200 CPU: 324.846, 0.00312864/step Wall: 324.846, 0.00312864/step, 4.25565 hours remaining, 231.132812 MB of memory in use. ENERGY: 103200 3977.0180 20522.6805 14466.9023 250.9119 -203580.3159 2824.5407 0.0000 0.0000 51960.4170 -109577.8456 298.6172 -161538.2626 -109220.4750 298.9202 7.9276 33.3982 762432.8653 -6.9243 -7.1582 PRESSURE: 103400 -320.323 -295.739 -59.3654 -295.739 -262.745 134.984 -59.3648 134.983 107.386 GPRESSURE: 103400 -188.802 -180.334 -45.7101 -352.457 -245.476 191.132 -88.3218 53.6673 51.0992 PRESSAVG: 103400 -1.14382 33.4728 -0.993987 33.4728 6.23799 -16.8849 -0.993966 -16.885 0.742436 GPRESSAVG: 103400 -0.493944 36.6302 -3.51681 32.3402 6.14514 -16.0911 -0.642089 -17.894 0.0589623 TIMING: 103400 CPU: 325.475, 0.00314403/step Wall: 325.475, 0.00314403/step, 4.2764 hours remaining, 231.132812 MB of memory in use. ENERGY: 103400 3982.9744 20530.8367 14448.8712 247.5299 -203530.9537 2622.8413 0.0000 0.0000 52182.3740 -109515.5264 299.8928 -161697.9004 -109147.0127 298.4411 -158.5607 -127.7263 762718.6629 1.9455 1.9034 PRESSURE: 103600 -149.119 153.015 -392.905 153.014 -50.4753 -88.5681 -392.905 -88.5682 250.597 GPRESSURE: 103600 -119.1 96.6035 -326.085 205.638 -19.6362 -69.1386 -348.72 -164.158 269.847 PRESSAVG: 103600 33.2616 30.4698 -28.7215 30.4698 -54.2833 17.9076 -28.7215 17.9075 -7.4732 GPRESSAVG: 103600 32.474 28.9444 -28.3874 32.7043 -54.2376 20.133 -27.3192 15.6911 -6.31422 TIMING: 103600 CPU: 326.106, 0.00315676/step Wall: 326.106, 0.00315676/step, 4.29354 hours remaining, 231.132812 MB of memory in use. ENERGY: 103600 4036.3660 20657.0840 14465.1847 243.8355 -203199.6038 2480.5777 0.0000 0.0000 51807.0094 -109509.5466 297.7356 -161316.5559 -109148.6057 298.7812 17.0012 43.7036 761204.1338 -9.4983 -9.3593 PRESSURE: 103800 -2.62219 -229.405 124.11 -229.406 -215.797 -5.29588 124.11 -5.29625 135.513 GPRESSURE: 103800 -37.6432 -209.465 261.076 -109.419 -152.787 -54.5109 61.1026 -126.352 159.001 PRESSAVG: 103800 20.7762 14.0678 2.41688 14.0678 -33.0005 -55.4714 2.41694 -55.4714 -6.0867 GPRESSAVG: 103800 21.2682 14.8523 2.92382 13.6228 -34.2938 -58.185 2.37606 -51.4087 -5.30877 TIMING: 103800 CPU: 326.735, 0.00314564/step Wall: 326.735, 0.00314564/step, 4.27824 hours remaining, 231.132812 MB of memory in use. ENERGY: 103800 3980.3276 20569.6215 14445.1351 238.8524 -203420.9768 2561.1739 0.0000 0.0000 52170.0760 -109455.7902 299.8221 -161625.8662 -109082.0928 298.7512 -27.6353 -10.4763 763752.2623 -6.1037 -6.1115 PRESSURE: 104000 -257.46 -47.5693 55.9585 -47.5684 162.429 26.3471 55.959 26.347 -62.4605 GPRESSURE: 104000 -105.859 -130.944 100.319 1.51672 133.928 23.2962 74.8002 18.0794 -82.9826 PRESSAVG: 104000 -14.6279 4.22859 12.4552 4.22862 35.9233 -2.35067 12.4551 -2.3507 -16.1439 GPRESSAVG: 104000 -14.3204 1.9765 12.8879 7.05623 36.9109 -2.59566 13.0243 -6.38687 -16.6921 TIMING: 104000 CPU: 327.364, 0.00314621/step Wall: 327.364, 0.00314621/step, 4.27885 hours remaining, 231.132812 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: 104000 4062.0627 20638.6054 14445.0751 252.9152 -203697.3789 3002.8895 0.0000 0.0000 51822.3313 -109473.4997 297.8237 -161295.8310 -109125.0806 299.1089 -52.4971 -18.3042 762817.3483 1.7172 1.9661 PRESSURE: 104200 -93.2509 -324.813 -30.9603 -324.813 -106.697 -49.5963 -30.9597 -49.598 -57.9457 GPRESSURE: 104200 28.927 -420.408 -14.5591 -304.795 -122.452 -73.0432 -31.2424 40.7909 -69.6528 PRESSAVG: 104200 -46.8439 -9.97235 -0.925894 -9.97235 55.1093 17.6884 -0.925914 17.6884 -13.6059 GPRESSAVG: 104200 -47.6949 -9.17865 -0.37234 -11.0936 55.5549 17.981 -4.20607 19.5319 -12.99 TIMING: 104200 CPU: 327.998, 0.00316612/step Wall: 327.998, 0.00316612/step, 4.30574 hours remaining, 231.132812 MB of memory in use. ENERGY: 104200 4124.9665 20518.1560 14416.5866 259.0988 -203773.1041 2962.9116 0.0000 0.0000 52136.2806 -109355.1041 299.6279 -161491.3846 -108983.1051 299.0096 -85.9646 -54.3926 763826.9730 -1.7801 -1.7100 LDB: ============= START OF LOAD BALANCING ============== 340.53 LDB: ============== END OF LOAD BALANCING =============== 340.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 340.532 LDB: ============= START OF LOAD BALANCING ============== 340.849 LDB: Largest compute 7029 load 0.032431 is 16.6% of average load 0.194948 LDB: Average compute 0.004363 is 2.2% of average load 0.194948 LDB: TIME 340.852 LOAD: AVG 0.194948 MAX 0.215951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.531 MB LDB: TIME 340.853 LOAD: AVG 0.194948 MAX 0.215951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.531 MB LDB: TIME 340.853 LOAD: AVG 0.194948 MAX 0.215951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.531 MB LDB: ============== END OF LOAD BALANCING =============== 340.855 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 340.86 PRESSURE: 104400 -7.29751 137.139 25.9005 137.14 135.359 206.887 25.9015 206.888 316.068 GPRESSURE: 104400 56.689 211.828 59.8516 56.0618 195.001 213.087 98.4558 208.897 280.84 PRESSAVG: 104400 -25.246 -21.2951 -25.5765 -21.2951 15.4464 0.396876 -25.5765 0.396849 -6.77993 GPRESSAVG: 104400 -24.887 -20.5908 -27.4453 -20.4448 15.7426 -0.478791 -21.5839 1.48515 -7.38073 TIMING: 104400 CPU: 328.643, 0.00322723/step Wall: 328.643, 0.00322723/step, 4.38867 hours remaining, 231.816406 MB of memory in use. ENERGY: 104400 4048.6771 20590.3093 14344.9088 255.2130 -203560.7541 2753.5802 0.0000 0.0000 52224.6342 -109343.4314 300.1357 -161568.0656 -108982.8491 299.0160 148.0431 177.5101 760120.1895 -5.5265 -5.5084 PRESSURE: 104600 58.9579 77.1986 52.1724 77.1989 -134.113 -270.537 52.1726 -270.538 -158.403 GPRESSURE: 104600 108.456 154.456 -7.77012 102.923 -194.88 -253.473 -60.4289 -181.337 -68.9438 PRESSAVG: 104600 71.021 -29.3252 47.3819 -29.3253 -21.5671 -26.2182 47.3819 -26.2183 -3.72806 GPRESSAVG: 104600 71.7787 -28.8784 48.4126 -30.8196 -23.5428 -25.8065 45.4104 -26.8342 -3.16391 TIMING: 104600 CPU: 329.277, 0.0031707/step Wall: 329.277, 0.0031707/step, 4.31163 hours remaining, 231.816406 MB of memory in use. ENERGY: 104600 4035.2264 20633.6163 14436.6893 226.6830 -203607.5468 2741.3601 0.0000 0.0000 51924.5547 -109609.4172 298.4111 -161533.9718 -109260.8420 299.5379 -77.8525 -51.7892 760344.2183 15.2420 15.0240 PRESSURE: 104800 12.4851 -119.173 262.633 -119.173 114.685 -323.313 262.633 -323.313 109.549 GPRESSURE: 104800 49.3105 -151.125 247.89 -171.881 152.475 -255.85 148.452 -260.941 127.149 PRESSAVG: 104800 8.85812 -59.2592 67.4797 -59.2593 44.532 -34.7268 67.4796 -34.7269 11.0726 GPRESSAVG: 104800 6.86905 -58.7525 67.491 -60.5789 46.5893 -32.4221 65.848 -36.1092 10.9866 TIMING: 104800 CPU: 329.912, 0.00317511/step Wall: 329.912, 0.00317512/step, 4.31745 hours remaining, 231.816406 MB of memory in use. ENERGY: 104800 4003.5106 20416.6581 14475.1315 235.0059 -203969.7353 2923.9628 0.0000 0.0000 52342.3749 -109573.0915 300.8123 -161915.4664 -109205.3925 298.9490 78.9066 109.6448 761509.0511 21.4876 21.4816 PRESSURE: 105000 91.2506 -48.1338 -107.904 -48.1344 -229.444 95.8349 -107.904 95.8354 -142.126 GPRESSURE: 105000 99.2292 2.5538 -151.083 41.5008 -142.663 79.3534 -32.0475 198.112 -154.999 PRESSAVG: 105000 -6.50496 -39.7335 0.928158 -39.7336 15.4564 0.498119 0.928131 0.498075 -12.3406 GPRESSAVG: 105000 -5.73144 -40.1741 -0.373786 -38.1273 15.145 -0.903641 2.95731 2.84142 -12.5449 TIMING: 105000 CPU: 330.548, 0.00318024/step Wall: 330.548, 0.00318024/step, 4.32425 hours remaining, 231.816406 MB of memory in use. ENERGY: 105000 3975.6107 20670.2998 14423.4313 256.3113 -203725.6894 2618.5746 0.0000 0.0000 52188.4679 -109592.9938 299.9278 -161781.4617 -109228.5797 299.2176 -93.4400 -66.1443 760508.2853 -1.1297 -1.0438 PRESSURE: 105200 133.478 20.7022 264.447 20.7032 114.706 -14.0558 264.447 -14.0571 111.514 GPRESSURE: 105200 129.201 5.31349 275.589 92.6057 206.781 -85.8124 167.752 -39.0014 131.385 PRESSAVG: 105200 15.0546 27.9507 25.6855 27.9507 -12.2668 20.1828 25.6856 20.1827 12.3714 GPRESSAVG: 105200 14.6916 28.3978 26.0143 27.666 -12.0955 20.5575 24.9273 18.0556 11.9187 TIMING: 105200 CPU: 331.187, 0.00319559/step Wall: 331.187, 0.00319559/step, 4.34493 hours remaining, 231.816406 MB of memory in use. ENERGY: 105200 3951.1947 20446.8312 14390.8396 256.9157 -203571.1553 2819.9504 0.0000 0.0000 51941.9075 -109763.5163 298.5109 -161705.4238 -109387.2438 298.8980 119.8994 155.7890 760855.0389 5.0531 4.8383 PRESSURE: 105400 27.9639 16.6573 -308.308 16.6576 -53.1008 -25.1207 -308.308 -25.1207 488.371 GPRESSURE: 105400 104.994 64.9968 -355.69 -9.47163 -46.883 -55.6788 -193.826 -158.749 470.473 PRESSAVG: 105400 23.0286 6.59997 -1.58806 6.59994 -31.5606 16.0492 -1.58806 16.0491 1.62124 GPRESSAVG: 105400 23.2067 5.39497 -2.16659 7.66949 -31.7636 13.9189 -1.07955 16.7904 1.26002 TIMING: 105400 CPU: 331.822, 0.00317522/step Wall: 331.822, 0.00317522/step, 4.31706 hours remaining, 231.816406 MB of memory in use. ENERGY: 105400 3921.0028 20696.9801 14298.8646 265.7237 -203558.2858 2761.7471 0.0000 0.0000 51952.3075 -109661.6600 298.5706 -161613.9675 -109298.4371 298.6685 154.4115 176.1945 762550.3730 -2.3036 -2.4323 PRESSURE: 105600 -164.619 24.9334 376.964 24.9325 88.1492 -37.9357 376.963 -37.9357 219.36 GPRESSURE: 105600 -84.0733 -72.4536 321.719 93.1359 -6.08696 -18.0952 318.253 -33.6815 304.469 PRESSAVG: 105600 2.0065 18.131 16.7129 18.131 -4.03139 39.2 16.7128 39.1999 -8.22394 GPRESSAVG: 105600 2.58913 19.4436 17.3599 17.0904 -5.75493 41.7504 15.6596 40.4884 -7.27586 TIMING: 105600 CPU: 332.456, 0.00316829/step Wall: 332.456, 0.00316829/step, 4.30746 hours remaining, 231.816406 MB of memory in use. ENERGY: 105600 3945.3487 20693.6359 14512.0654 256.8986 -203581.6690 2654.9441 0.0000 0.0000 51850.2350 -109668.5412 297.9840 -161518.7762 -109308.1196 298.6221 47.6302 71.4361 758826.5952 -3.4163 -3.4806 PRESSURE: 105800 -31.1514 164.414 292.704 164.413 59.2506 29.67 292.705 29.6703 -358.202 GPRESSURE: 105800 45.8475 133.722 327.971 174.801 69.9333 75.8302 136.569 -5.91132 -352.51 PRESSAVG: 105800 -55.7634 6.67773 32.3303 6.67774 17.8629 -0.930496 32.3303 -0.930512 1.17596 GPRESSAVG: 105800 -57.3633 5.5323 31.9222 6.98202 20.1763 -1.95207 33.1743 -3.8214 0.384086 TIMING: 105800 CPU: 333.088, 0.00316112/step Wall: 333.088, 0.00316112/step, 4.29755 hours remaining, 231.816406 MB of memory in use. ENERGY: 105800 3968.9768 20665.9654 14441.8612 260.8432 -203628.5059 2649.4417 0.0000 0.0000 51917.3248 -109724.0929 298.3696 -161641.4177 -109375.5376 298.6795 -110.0341 -78.9097 760394.1285 -12.2415 -12.2677 PRESSURE: 106000 -244.34 -204.921 42.673 -204.921 294.014 98.9805 42.674 98.9799 -242.162 GPRESSURE: 106000 -150.687 -90.1302 114.979 -239.552 306.052 69.9507 34.2966 57.7528 -265.4 PRESSAVG: 106000 15.1881 -9.52825 18.9022 -9.52824 -18.9196 -16.3426 18.9022 -16.3427 6.72726 GPRESSAVG: 106000 16.949 -9.35955 17.4277 -11.5044 -20.3235 -16.2215 19.7661 -13.8247 6.16669 TIMING: 106000 CPU: 333.724, 0.00317775/step Wall: 333.724, 0.00317775/step, 4.31997 hours remaining, 231.816406 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: 106000 4049.5923 20609.5521 14425.5974 238.4220 -203234.1823 2603.8839 0.0000 0.0000 51839.9132 -109467.2215 297.9247 -161307.1347 -109104.7492 298.9457 -64.1628 -36.6785 763659.8002 0.9986 0.9307 PRESSURE: 106200 -109.007 -325.921 -277.781 -325.921 -474.165 -23.1423 -277.78 -23.1424 84.7899 GPRESSURE: 106200 -116.338 -330.1 -297.641 -237.019 -427.399 -69.684 -223.55 -47.6758 129.51 PRESSAVG: 106200 -9.35014 -58.8677 -15.9357 -58.8676 -6.75523 -26.437 -15.9357 -26.4371 27.9297 GPRESSAVG: 106200 -9.72357 -57.3118 -14.2015 -56.8879 -6.5861 -25.4796 -16.0878 -27.713 28.2547 TIMING: 106200 CPU: 334.353, 0.00314615/step Wall: 334.353, 0.00314615/step, 4.27685 hours remaining, 231.816406 MB of memory in use. ENERGY: 106200 3993.4490 20637.4115 14418.4004 239.4517 -203161.9884 2535.7936 0.0000 0.0000 52139.7097 -109197.7726 299.6476 -161337.4822 -108830.1489 299.5126 -166.1273 -138.0760 761967.6500 3.9415 3.9817 PRESSURE: 106400 -14.3109 2.21459 177.618 2.21475 13.9471 -222.32 177.618 -222.32 128.305 GPRESSURE: 106400 -32.0772 49.2309 208.186 62.3604 96.8886 -134.614 72.5133 -178.35 151.497 PRESSAVG: 106400 4.18912 -62.135 24.0124 -62.135 15.4091 -3.10591 24.0124 -3.10596 14.1133 GPRESSAVG: 106400 2.70296 -61.0154 26.8382 -64.2325 16.9568 -5.17969 19.5556 -0.938426 13.7992 TIMING: 106400 CPU: 334.982, 0.00314651/step Wall: 334.982, 0.00314651/step, 4.27715 hours remaining, 231.816406 MB of memory in use. ENERGY: 106400 4012.1575 20528.8722 14545.6278 274.9666 -203485.7362 2752.4210 0.0000 0.0000 52217.7177 -109153.9733 300.0959 -161371.6910 -108791.2007 300.3022 42.6470 72.1028 761249.7055 11.2372 11.1530 PRESSURE: 106600 -135.903 -166.995 249.279 -166.995 -112.651 -24.2248 249.278 -24.224 -69.7447 GPRESSURE: 106600 -162.076 -100.745 292.855 -137.495 -86.8082 -47.3803 220.064 -127.806 22.1493 PRESSAVG: 106600 -23.8556 -63.5455 -2.53471 -63.5455 16.7545 -49.2122 -2.53464 -49.2121 3.92635 GPRESSAVG: 106600 -24.126 -66.3533 -5.12825 -62.0805 15.7923 -46.596 2.20583 -51.6471 5.37204 TIMING: 106600 CPU: 335.615, 0.00316367/step Wall: 335.615, 0.00316367/step, 4.3003 hours remaining, 231.816406 MB of memory in use. ENERGY: 106600 3935.8518 20633.0443 14405.6147 266.2003 -203316.6947 2574.8793 0.0000 0.0000 52298.8840 -109202.2204 300.5624 -161501.1044 -108836.6428 300.3166 -106.0995 -75.5783 762109.1615 -1.0583 -0.9872 PRESSURE: 106800 212.949 132.717 -146.646 132.717 246.579 5.55969 -146.646 5.55982 250.734 GPRESSURE: 106800 300.589 138.681 -103.197 144.099 259.712 101.125 -213.287 67.4091 229.042 PRESSAVG: 106800 33.1983 -31.0627 31.9846 -31.0628 -1.86096 -40.4125 31.9846 -40.4124 -8.94582 GPRESSAVG: 106800 34.4599 -31.3722 30.6844 -30.1125 -2.8251 -42.91 32.1719 -40.3711 -9.17423 TIMING: 106800 CPU: 336.249, 0.00316719/step Wall: 336.249, 0.00316719/step, 4.30491 hours remaining, 231.816406 MB of memory in use. ENERGY: 106800 4014.2888 20447.5547 14522.2457 239.9359 -203484.9010 2723.6041 0.0000 0.0000 52065.5461 -109471.7256 299.2214 -161537.2717 -109110.4279 299.3575 236.7540 263.1142 760970.6803 7.4638 7.4869 PRESSURE: 107000 -246.739 20.9231 138.553 20.9226 -627.445 -12.7767 138.553 -12.7764 -436.858 GPRESSURE: 107000 -324.308 113.678 156.39 65.128 -512.982 38.2957 141.244 16.3611 -392.947 PRESSAVG: 107000 15.335 -38.0863 -4.91853 -38.0863 6.19317 24.9215 -4.91853 24.9214 8.21576 GPRESSAVG: 107000 14.5989 -37.5132 -2.22891 -37.9036 7.96978 25.4352 -5.88 26.6721 7.35539 TIMING: 107000 CPU: 336.88, 0.00315493/step Wall: 336.88, 0.00315493/step, 4.28808 hours remaining, 231.816406 MB of memory in use. ENERGY: 107000 4058.6365 20510.2479 14462.5902 248.8643 -202903.1386 2361.4968 0.0000 0.0000 51831.2865 -109430.0163 297.8751 -161261.3029 -109069.7266 298.6709 -437.0142 -410.0790 764242.1459 9.9146 9.9747 PRESSURE: 107200 191.525 147.13 -27.0018 147.131 -367.913 -90.0365 -27.0026 -90.0371 -629.226 GPRESSURE: 107200 251.746 124.144 21.5701 25.2054 -357.714 -100.607 -43.6456 -128.374 -593.702 PRESSAVG: 107200 18.571 42.2747 24.5729 42.2747 -22.0534 -2.16666 24.5729 -2.16674 20.483 GPRESSAVG: 107200 19.2484 42.2415 23.2889 39.9271 -22.4519 -1.81048 23.5771 -1.16152 20.4899 TIMING: 107200 CPU: 337.512, 0.00316064/step Wall: 337.512, 0.00316064/step, 4.29566 hours remaining, 231.816406 MB of memory in use. ENERGY: 107200 3915.4864 20470.6165 14488.7470 233.3300 -203197.6812 2561.9305 0.0000 0.0000 51928.1812 -109599.3896 298.4320 -161527.5708 -109244.0851 298.9828 -268.5378 -233.2234 763327.0561 5.6669 5.7621 PRESSURE: 107400 -44.3429 163.465 -216.002 163.466 -84.4077 -199.842 -216.003 -199.841 -359.543 GPRESSURE: 107400 -28.794 61.1018 -186.048 109.927 -65.2793 -176.124 -300.032 -191.462 -300.748 PRESSAVG: 107400 -15.2822 39.8764 -57.9167 39.8764 12.307 -17.7692 -57.9168 -17.7692 -13.3065 GPRESSAVG: 107400 -14.6563 40.5284 -58.0763 41.1735 11.0014 -17.3216 -58.1628 -19.8846 -12.7678 TIMING: 107400 CPU: 338.144, 0.00316175/step Wall: 338.144, 0.00316175/step, 4.297 hours remaining, 231.816406 MB of memory in use. ENERGY: 107400 4075.5983 20477.9514 14405.2971 240.0757 -203836.1796 3212.9120 0.0000 0.0000 51875.8254 -109548.5195 298.1311 -161424.3449 -109190.5883 298.6813 -162.7647 -131.6070 765009.4966 -5.4273 -5.4742 PRESSURE: 107600 -78.8553 74.9352 -215.324 74.9356 62.2386 -99.2904 -215.324 -99.2904 -49.1153 GPRESSURE: 107600 -135.198 16.0969 -214.273 148.997 259.541 -93.8639 -150.277 -0.960694 -102.938 PRESSAVG: 107600 -8.26557 31.15 -54.2469 31.15 22.7504 -27.5274 -54.2469 -27.5273 -8.33776 GPRESSAVG: 107600 -10.2563 29.1256 -54.332 31.6357 25.2342 -27.5718 -52.8143 -26.2994 -9.0234 TIMING: 107600 CPU: 338.773, 0.00314566/step Wall: 338.773, 0.00314566/step, 4.27495 hours remaining, 231.816406 MB of memory in use. ENERGY: 107600 4005.1907 20529.9500 14368.0499 237.7757 -203570.8495 2766.2419 0.0000 0.0000 52140.1157 -109523.5256 299.6500 -161663.6413 -109165.2919 298.5684 -21.9106 7.1351 763313.1978 2.0490 1.9849 PRESSURE: 107800 44.6608 13.5146 78.7938 13.5134 318.243 -87.2412 78.7935 -87.2416 295.467 GPRESSURE: 107800 75.4547 31.2096 3.95886 29.3899 333.323 -110.036 -42.885 53.864 326.775 PRESSAVG: 107800 -43.6699 4.76951 -58.8096 4.76947 50.0591 4.34734 -58.8096 4.34735 -13.6223 GPRESSAVG: 107800 -42.4696 5.00683 -60.1413 5.3514 48.0462 3.94855 -56.1424 5.40334 -12.8802 TIMING: 107800 CPU: 339.403, 0.00315064/step Wall: 339.403, 0.00315064/step, 4.28155 hours remaining, 231.816406 MB of memory in use. ENERGY: 107800 3964.8019 20439.5198 14492.0730 240.8155 -203698.3669 3121.3707 0.0000 0.0000 51970.4264 -109469.3595 298.6748 -161439.7860 -109111.9324 298.7153 219.4568 245.1841 762144.9704 -2.4110 -2.4345 PRESSURE: 108000 -422.46 78.7988 140.349 78.7979 -232.537 170.619 140.349 170.62 85.7867 GPRESSURE: 108000 -331.284 14.6547 122.634 43.9183 -157.78 222.787 77.3588 105.53 -4.01561 PRESSAVG: 108000 -24.6414 26.9949 24.1881 26.9949 3.25698 19.397 24.1882 19.3969 8.64745 GPRESSAVG: 108000 -24.0259 28.2757 27.6066 26.4427 3.03082 19.1154 19.3847 19.5045 8.50159 TIMING: 108000 CPU: 340.037, 0.00316876/step Wall: 340.037, 0.00316876/step, 4.30599 hours remaining, 231.816406 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: 108000 3952.4337 20620.6775 14405.4858 242.8492 -202861.8935 2438.4229 0.0000 0.0000 51807.0793 -109394.9450 297.7360 -161202.0243 -109036.0797 298.7441 -189.7365 -164.3597 763932.1253 -4.2457 -4.1645 PRESSURE: 108200 103.089 81.8362 113.271 81.8362 170.097 -114.201 113.271 -114.201 -3.89821 GPRESSURE: 108200 161.917 92.1212 61.5427 77.0149 159.615 -178.671 168.084 -46.2038 35.4929 PRESSAVG: 108200 -43.4162 -26.2981 17.7989 -26.2981 33.1725 -2.79669 17.7989 -2.79664 6.95935 GPRESSAVG: 108200 -43.1877 -25.937 15.1892 -26.9658 33.2027 -1.60707 19.6273 -3.52215 6.62542 TIMING: 108200 CPU: 340.665, 0.00314035/step Wall: 340.665, 0.00314035/step, 4.26721 hours remaining, 231.816406 MB of memory in use. ENERGY: 108200 3940.2629 20447.9779 14414.3089 227.6180 -203588.3997 2897.2879 0.0000 0.0000 52231.8441 -109429.1000 300.1771 -161660.9441 -109077.5112 298.6316 89.7629 119.0083 762416.6456 -1.0948 -1.1199 LDB: ============= START OF LOAD BALANCING ============== 353.197 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 353.197 LDB: =============== DONE WITH MIGRATION ================ 353.199 LDB: ============= START OF LOAD BALANCING ============== 353.516 LDB: Largest compute 7059 load 0.031419 is 16.1% of average load 0.194919 LDB: Average compute 0.004366 is 2.2% of average load 0.194919 LDB: TIME 353.519 LOAD: AVG 0.194919 MAX 0.216919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.816 MB LDB: TIME 353.52 LOAD: AVG 0.194919 MAX 0.216919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.816 MB LDB: TIME 353.52 LOAD: AVG 0.194919 MAX 0.216919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.816 MB LDB: ============== END OF LOAD BALANCING =============== 353.522 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 353.527 PRESSURE: 108400 -812.288 -174.966 -356.563 -174.967 -465.032 139.083 -356.564 139.083 -411.087 GPRESSURE: 108400 -723.861 -55.0031 -349.517 -123.334 -439.21 182.796 -349.489 141.3 -429.539 PRESSAVG: 108400 31.0913 -24.6597 -18.0153 -24.6597 18.9219 -8.02962 -18.0153 -8.02961 21.2142 GPRESSAVG: 108400 30.5573 -24.5037 -17.5774 -24.3648 19.3293 -8.37504 -16.3379 -7.30443 21.2825 TIMING: 108400 CPU: 341.31, 0.00322294/step Wall: 341.31, 0.00322294/step, 4.37926 hours remaining, 231.304688 MB of memory in use. ENERGY: 108400 3957.2441 20470.5323 14393.7125 242.3492 -203122.3173 2465.4407 0.0000 0.0000 52098.4269 -109494.6115 299.4104 -161593.0384 -109123.8906 298.7646 -562.8023 -530.8697 763211.0852 23.7425 23.7231 PRESSURE: 108600 -45.9712 -9.37949 -193.75 -9.37974 108.855 3.05813 -193.75 3.05865 -333.342 GPRESSURE: 108600 74.9356 27.7907 -288.029 -45.6575 27.7078 -9.24299 -40.6701 -47.4621 -290.269 PRESSAVG: 108600 2.97312 -2.46541 -54.4398 -2.46543 -36.2354 2.42479 -54.4398 2.42479 19.8413 GPRESSAVG: 108600 3.21479 -3.3619 -54.7633 -2.607 -36.5543 1.91417 -55.2089 1.94956 20.5786 TIMING: 108600 CPU: 341.94, 0.00315095/step Wall: 341.94, 0.00315095/step, 4.28127 hours remaining, 231.507812 MB of memory in use. ENERGY: 108600 3978.8431 20612.2237 14450.2966 239.8481 -203454.1263 2715.6404 0.0000 0.0000 51997.2263 -109460.0481 298.8288 -161457.2744 -109104.3394 298.6469 -90.1527 -62.5418 762845.4531 -4.4737 -4.2536 PRESSURE: 108800 -290.757 -3.70429 -55.1201 -3.7049 234.817 -173.953 -55.1202 -173.953 -104.157 GPRESSURE: 108800 -262.286 -25.7977 -102.604 -70.4664 275.924 -198.653 30.8879 -154.625 -82.2301 PRESSAVG: 108800 -7.60149 -2.56004 -24.7245 -2.56008 3.67693 -2.36749 -24.7245 -2.36742 8.11237 GPRESSAVG: 108800 -7.00069 -1.3692 -22.6761 -2.65551 3.96112 -2.39737 -22.9459 -2.5687 6.77491 TIMING: 108800 CPU: 342.573, 0.00316556/step Wall: 342.573, 0.00316556/step, 4.30094 hours remaining, 231.507812 MB of memory in use. ENERGY: 108800 4033.4320 20569.7810 14398.1424 249.2382 -203349.5066 2764.1418 0.0000 0.0000 51944.0394 -109390.7318 298.5231 -161334.7712 -109037.0486 298.9524 -53.3657 -22.8641 762941.8937 1.3959 1.2451 PRESSURE: 109000 43.6412 31.6861 220.257 31.686 -256.515 34.045 220.257 34.0443 441.917 GPRESSURE: 109000 72.086 -8.34936 237.607 67.3671 -106.247 56.9778 122.48 27.2403 340.825 PRESSAVG: 109000 -0.407052 18.8994 -3.81218 18.8995 -1.9643 -16.6817 -3.81215 -16.6817 -30.5075 GPRESSAVG: 109000 -1.48947 19.1256 -6.15387 18.2934 -1.64577 -16.6567 -5.67109 -15.9393 -30.0087 TIMING: 109000 CPU: 343.202, 0.00314473/step Wall: 343.202, 0.00314472/step, 4.27246 hours remaining, 231.507812 MB of memory in use. ENERGY: 109000 3980.7693 20672.1679 14482.0149 252.6019 -203515.3563 2645.6817 0.0000 0.0000 51925.7524 -109556.3683 298.4180 -161482.1207 -109206.4995 298.9412 76.3476 102.2213 761038.8482 -10.9596 -11.0480 PRESSURE: 109200 -76.364 229.333 35.9471 229.333 -17.7703 58.8086 35.9469 58.8082 -177.577 GPRESSURE: 109200 -11.6456 193.319 -50.4179 242.015 -8.63967 29.565 20.8857 139.613 -158.529 PRESSAVG: 109200 19.3604 50.0471 38.1846 50.047 -14.5059 -6.68925 38.1846 -6.6893 22.9007 GPRESSAVG: 109200 19.6541 48.6506 37.059 49.9525 -15.0204 -6.09035 40.9604 -8.07165 22.7078 TIMING: 109200 CPU: 343.837, 0.00317295/step Wall: 343.837, 0.00317295/step, 4.31063 hours remaining, 231.507812 MB of memory in use. ENERGY: 109200 4047.3160 20413.6277 14432.3576 248.6092 -203428.9198 2823.4099 0.0000 0.0000 51833.8226 -109629.7767 297.8897 -161463.5993 -109270.0633 298.3074 -90.5704 -59.6046 761853.4273 9.2517 9.1138 PRESSURE: 109400 -10.0378 48.7322 -94.7105 48.7323 -305.232 -79.8388 -94.7108 -79.8383 -193.814 GPRESSURE: 109400 32.9162 -78.7417 -83.6387 -55.523 -278.25 -120.183 -62.6027 30.9185 -173.895 PRESSAVG: 109400 47.2744 59.705 62.4589 59.7049 -37.415 -11.104 62.4588 -11.104 -1.90084 GPRESSAVG: 109400 47.332 55.765 65.0853 61.0764 -37.252 -12.6085 57.4875 -12.0287 -2.10456 TIMING: 109400 CPU: 344.465, 0.00314056/step Wall: 344.465, 0.00314056/step, 4.26645 hours remaining, 231.507812 MB of memory in use. ENERGY: 109400 3971.7201 20327.4735 14395.0400 240.1697 -202963.2687 2478.2548 0.0000 0.0000 52085.9035 -109464.7070 299.3384 -161550.6105 -109105.4592 298.4752 -169.6946 -139.7428 763791.6318 2.6529 2.6585 PRESSURE: 109600 -286.21 197.092 -39.8329 197.092 -24.7565 81.1194 -39.8319 81.1197 -244.282 GPRESSURE: 109600 -187.703 63.7828 56.5846 241.432 27.8821 -3.71488 -83.997 103.328 -307.277 PRESSAVG: 109600 57.5619 78.1967 64.1706 78.1967 -78.1931 29.1682 64.1706 29.1682 1.80319 GPRESSAVG: 109600 58.1948 81.0919 63.489 78.1529 -77.6764 30.8736 65.9904 30.2673 0.365229 TIMING: 109600 CPU: 345.092, 0.00313864/step Wall: 345.092, 0.00313864/step, 4.26367 hours remaining, 231.507812 MB of memory in use. ENERGY: 109600 3955.0447 20434.7559 14479.1166 254.8401 -203105.4925 2410.2749 0.0000 0.0000 51993.1380 -109578.3223 298.8053 -161571.4603 -109222.0921 298.6434 -185.0827 -155.6993 763111.6495 -6.2760 -6.3721 PRESSURE: 109800 -245.516 70.0936 -65.5412 70.0936 197.138 -36.304 -65.5413 -36.3043 26.3117 GPRESSURE: 109800 -141.997 51.8744 -22.0439 19.5185 231.887 -140.728 13.5074 -9.97901 -17.2172 PRESSAVG: 109800 75.4514 61.6497 29.6664 61.6497 20.025 -16.9427 29.6665 -16.9428 6.17336 GPRESSAVG: 109800 74.696 63.4835 31.1386 59.986 19.0253 -17.148 29.7817 -17.3906 7.81189 TIMING: 109800 CPU: 345.722, 0.0031493/step Wall: 345.722, 0.0031493/step, 4.27798 hours remaining, 231.507812 MB of memory in use. ENERGY: 109800 4020.1101 20411.6443 14464.4681 240.4196 -203389.6912 2840.6438 0.0000 0.0000 51702.2284 -109710.1769 297.1334 -161412.4053 -109351.4782 298.5270 -7.3556 24.2242 761649.3879 33.8832 33.8444 PRESSURE: 110000 -203.984 197.143 -4.81984 197.142 -233.11 23.8788 -4.81975 23.8782 -129.03 GPRESSURE: 110000 -183.542 198.419 -91.8047 172.277 -142.997 161.467 41.8458 -87.5451 -156.932 PRESSAVG: 110000 -28.231 24.9501 -34.1927 24.9502 33.9697 83.7443 -34.1927 83.7442 6.51018 GPRESSAVG: 110000 -27.5403 25.6462 -35.9 23.4559 34.338 84.1386 -33.5298 83.8857 5.89531 TIMING: 110000 CPU: 346.351, 0.00314386/step Wall: 346.351, 0.00314386/step, 4.27041 hours remaining, 231.507812 MB of memory 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 3934.1402 20349.6294 14457.3576 245.4807 -202711.2496 2256.5386 0.0000 0.0000 51977.9632 -109490.1400 298.7181 -161468.1031 -109142.7239 298.1830 -188.7079 -161.1570 762019.1809 4.0830 4.2310 PRESSURE: 110200 -151.547 27.9635 181.902 27.963 -286.269 132.602 181.902 132.601 127.095 GPRESSURE: 110200 -136.502 3.382 156.522 115.94 -152.06 157.844 162.892 165.216 81.0238 PRESSAVG: 110200 -9.54802 61.8573 18.316 61.8573 24.0336 13.9442 18.316 13.9442 -6.63571 GPRESSAVG: 110200 -10.628 60.6579 19.332 65.4027 23.8132 13.4707 18.1898 15.0053 -5.03537 TIMING: 110200 CPU: 346.98, 0.00314657/step Wall: 346.98, 0.00314657/step, 4.27391 hours remaining, 231.507812 MB of memory in use. ENERGY: 110200 3946.5688 20328.6574 14521.7241 248.8517 -203467.6679 2737.2246 0.0000 0.0000 52111.9373 -109572.7039 299.4880 -161684.6411 -109217.4320 298.3021 -103.5739 -69.1795 761811.2959 2.6166 2.7166 PRESSURE: 110400 167.428 -85.3976 -78.2278 -85.3973 -17.4405 -57.8427 -78.2267 -57.8429 392.72 GPRESSURE: 110400 133.685 -48.1744 -119.16 -60.1544 77.2937 -97.395 -41.7266 -43.0503 410.171 PRESSAVG: 110400 43.75 7.37722 0.614964 7.37719 1.87586 -1.59662 0.614883 -1.59656 -4.83667 GPRESSAVG: 110400 43.957 6.61028 0.146182 6.35578 0.495721 -1.5128 -1.08924 -4.11524 -4.14975 TIMING: 110400 CPU: 347.615, 0.0031727/step Wall: 347.615, 0.0031727/step, 4.30924 hours remaining, 231.507812 MB of memory in use. ENERGY: 110400 3893.5134 20472.3507 14424.5667 234.9085 -203416.9348 2712.1246 0.0000 0.0000 52098.2160 -109581.2549 299.4092 -161679.4709 -109219.8767 297.6991 180.9027 207.0498 761877.6095 13.5964 13.4343 PRESSURE: 110600 -176.854 32.0672 212.527 32.0678 102.331 -12.4475 212.527 -12.4475 -156.723 GPRESSURE: 110600 -174.402 15.8822 109.459 30.0305 165.904 18.1408 254.112 58.3732 -177.936 PRESSAVG: 110600 -12.9807 15.308 -2.07821 15.308 -14.2471 -9.54161 -2.07812 -9.54154 9.49901 GPRESSAVG: 110600 -12.9035 16.2518 -2.46352 15.953 -12.2189 -10.5059 -0.511168 -6.85346 7.76335 TIMING: 110600 CPU: 348.252, 0.00318513/step Wall: 348.252, 0.00318513/step, 4.32594 hours remaining, 231.507812 MB of memory in use. ENERGY: 110600 3916.0545 20502.7512 14505.0776 249.7418 -202886.4141 2404.6523 0.0000 0.0000 51871.0219 -109437.1148 298.1035 -161308.1367 -109067.1785 298.2467 -77.0818 -62.1447 763450.4593 -5.9096 -5.7863 PRESSURE: 110800 48.6748 -31.2415 200.341 -31.2417 139.682 -138.727 200.341 -138.728 37.2004 GPRESSURE: 110800 25.1937 -113.357 153.797 -64.7637 214.095 -82.9276 154.081 -122.706 66.425 PRESSAVG: 110800 -19.4914 28.0485 26.1514 28.0485 21.9095 -23.0472 26.1514 -23.0472 40.8374 GPRESSAVG: 110800 -19.9592 26.7061 25.5944 28.6 21.6046 -24.1417 25.1347 -22.2614 41.026 TIMING: 110800 CPU: 348.886, 0.00316876/step Wall: 348.886, 0.00316876/step, 4.30353 hours remaining, 231.507812 MB of memory in use. ENERGY: 110800 3947.0910 20425.5532 14455.5744 235.7113 -203413.7013 2808.5113 0.0000 0.0000 52122.9614 -109418.2988 299.5514 -161541.2601 -109055.3253 298.3888 75.1859 101.9047 762813.9614 14.4185 14.2238 PRESSURE: 111000 -191.497 182.112 -105.316 182.112 11.4581 -78.456 -105.317 -78.457 -61.0736 GPRESSURE: 111000 -180.404 141.222 -21.8687 234.37 114.575 -129.544 -61.0135 -17.2591 -61.6949 PRESSAVG: 111000 -79.4074 37.9613 25.8446 37.9613 82.6244 -19.7693 25.8445 -19.7694 7.23145 GPRESSAVG: 111000 -79.9973 38.3448 28.0703 35.7074 83.1707 -18.0996 26.3889 -23.2318 7.13148 TIMING: 111000 CPU: 349.515, 0.00314735/step Wall: 349.515, 0.00314735/step, 4.27428 hours remaining, 231.507812 MB of memory in use. ENERGY: 111000 3940.3277 20243.4476 14494.6679 248.7265 -203203.4028 2793.1065 0.0000 0.0000 51870.5790 -109612.5477 298.1009 -161483.1267 -109245.6885 298.2358 -80.3710 -42.5078 763813.6770 3.4828 3.4350 PRESSURE: 111200 -16.9348 -74.5304 63.5741 -74.5317 138.423 -140.137 63.5746 -140.136 -66.8069 GPRESSURE: 111200 -1.35713 -62.7551 -28.243 -42.9817 201.188 -178.917 155.483 -4.66716 -60.4548 PRESSAVG: 111200 40.2977 38.0968 0.859499 38.0968 -1.50072 -1.636 0.85952 -1.63599 0.153805 GPRESSAVG: 111200 41.7989 39.2704 -1.22561 39.9973 -3.18113 0.728513 2.66357 -1.44686 0.578019 TIMING: 111200 CPU: 350.152, 0.00318392/step Wall: 350.152, 0.00318392/step, 4.32376 hours remaining, 231.507812 MB of memory in use. ENERGY: 111200 3899.2307 20425.4003 14516.7363 235.6365 -203368.2677 2863.6702 0.0000 0.0000 51671.9964 -109755.5973 296.9597 -161427.5937 -109397.6015 297.1760 18.2272 46.4588 764563.6920 12.9836 13.0653 PRESSURE: 111400 -175.087 280.028 217.427 280.028 -85.3756 8.89748 217.427 8.89773 117.553 GPRESSURE: 111400 -209.097 165.537 263.675 237.28 -42.9595 1.44986 134.293 -49.9758 207.766 PRESSAVG: 111400 -25.6912 60.8032 -16.7473 60.8032 19.5563 -31.9236 -16.7473 -31.9236 -21.6457 GPRESSAVG: 111400 -26.2306 59.353 -15.0821 62.005 20.4346 -33.6637 -17.7874 -30.6553 -22.1956 TIMING: 111400 CPU: 350.791, 0.00319752/step Wall: 350.791, 0.00319752/step, 4.34206 hours remaining, 231.507812 MB of memory in use. ENERGY: 111400 4047.5864 20329.0689 14447.1687 261.7922 -203270.0067 2711.7298 0.0000 0.0000 51813.6972 -109658.9636 297.7740 -161472.6608 -109290.2558 297.5838 -47.6367 -14.7634 764695.0776 -9.2602 -9.3305 PRESSURE: 111600 83.8871 -0.71021 -265.485 -0.709999 28.0559 140.231 -265.484 140.231 -101.624 GPRESSURE: 111600 127.068 -61.0648 -268.781 87.1292 88.4353 110.85 -75.3828 152.852 -104.618 PRESSAVG: 111600 55.2086 21.7465 -32.4114 21.7464 2.94008 2.03981 -32.4113 2.03984 0.346381 GPRESSAVG: 111600 54.4795 24.9295 -32.133 18.0637 2.50921 1.31375 -31.1953 0.875052 1.10875 TIMING: 111600 CPU: 351.427, 0.00317893/step Wall: 351.427, 0.00317893/step, 4.31664 hours remaining, 231.507812 MB of memory in use. ENERGY: 111600 4005.4165 20598.3618 14433.1244 233.6453 -203174.6622 2731.9780 0.0000 0.0000 51841.2211 -109330.9152 297.9322 -161172.1363 -108977.0923 298.3785 3.4397 36.9619 762338.9794 19.4983 19.3658 PRESSURE: 111800 192.558 36.1552 -145.429 36.1555 -75.9779 22.27 -145.429 22.2688 310.501 GPRESSURE: 111800 164.756 67.593 -218.013 55.6707 -8.17308 46.1304 -39.4732 -36.9627 369.528 PRESSAVG: 111800 31.4512 31.6364 -20.0975 31.6364 -22.7604 58.4144 -20.0975 58.4144 10.8013 GPRESSAVG: 111800 31.5853 29.8676 -21.8727 32.7935 -22.494 59.5726 -21.563 57.1915 10.2215 TIMING: 111800 CPU: 352.063, 0.00317831/step Wall: 352.063, 0.00317831/step, 4.31561 hours remaining, 231.507812 MB of memory in use. ENERGY: 111800 3915.4331 20492.8778 14460.0824 250.3005 -203250.6643 2763.6658 0.0000 0.0000 52000.4190 -109367.8857 298.8471 -161368.3046 -109011.9665 298.9405 142.3604 175.3701 761984.8967 6.4974 6.4376 PRESSURE: 112000 -364.537 39.7723 14.74 39.7727 -133.163 31.4529 14.7406 31.4535 18.7056 GPRESSURE: 112000 -263.958 102.922 81.671 65.1104 -121.578 3.31638 60.4626 -100.578 -6.09479 PRESSAVG: 112000 39.2448 28.5307 4.58684 28.5307 -35.5864 10.7764 4.58678 10.7764 -33.4671 GPRESSAVG: 112000 38.907 28.5647 6.05016 29.3422 -35.8125 9.17089 5.06894 11.9017 -33.1908 TIMING: 112000 CPU: 352.698, 0.00317384/step Wall: 352.698, 0.00317384/step, 4.30937 hours remaining, 231.507812 MB of memory 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 3965.1675 20511.2336 14395.2975 252.5465 -203014.0810 2389.6843 0.0000 0.0000 52049.1839 -109450.9677 299.1274 -161500.1516 -109090.1641 298.6594 -159.6646 -130.5434 763591.9151 -9.9362 -10.0321 PRESSURE: 112200 -69.8419 -170.375 6.01214 -170.376 -35.3375 -47.4284 6.01192 -47.4277 -113.721 GPRESSURE: 112200 -4.57462 -225.376 -77.8754 -39.4187 -33.315 -44.6405 119.504 -9.02311 -116.52 PRESSAVG: 112200 -5.41087 23.0537 -34.4822 23.0536 -6.79835 -2.08182 -34.4822 -2.08179 14.8926 GPRESSAVG: 112200 -6.17104 22.8047 -35.2534 24.7217 -5.87494 -1.98881 -33.669 -1.31466 14.7653 TIMING: 112200 CPU: 353.334, 0.00318368/step Wall: 353.334, 0.00318368/step, 4.32255 hours remaining, 231.507812 MB of memory in use. ENERGY: 112200 3978.0430 20394.7105 14456.1810 237.9693 -203084.7881 2641.3721 0.0000 0.0000 51819.1879 -109557.3243 297.8056 -161376.5122 -109195.8240 297.7638 -72.9667 -51.4699 764505.3945 0.8945 0.9064 LDB: ============= START OF LOAD BALANCING ============== 365.87 LDB: ============== END OF LOAD BALANCING =============== 365.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 365.872 LDB: ============= START OF LOAD BALANCING ============== 366.188 LDB: Largest compute 7029 load 0.033526 is 17.2% of average load 0.194896 LDB: Average compute 0.004390 is 2.3% of average load 0.194896 LDB: TIME 366.192 LOAD: AVG 0.194896 MAX 0.213864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.793 MB LDB: TIME 366.192 LOAD: AVG 0.194896 MAX 0.213864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.793 MB LDB: TIME 366.192 LOAD: AVG 0.194896 MAX 0.213864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.793 MB LDB: ============== END OF LOAD BALANCING =============== 366.194 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 366.199 PRESSURE: 112400 59.1998 4.27331 -217.048 4.2735 130.065 -60.1937 -217.048 -60.1943 42.0534 GPRESSURE: 112400 63.1808 -83.5286 -229.571 62.9968 187.779 28.8273 -316.887 -63.1246 62.9943 PRESSAVG: 112400 1.00088 53.0411 -28.3198 53.0411 9.96199 -6.13813 -28.3198 -6.13817 -26.0311 GPRESSAVG: 112400 1.30071 53.8663 -28.5655 50.9832 9.37785 -4.26564 -29.6946 -7.2429 -25.4846 TIMING: 112400 CPU: 353.982, 0.00323876/step Wall: 353.982, 0.00323876/step, 4.39716 hours remaining, 231.304688 MB of memory in use. ENERGY: 112400 3988.4008 20420.7642 14408.9230 252.0370 -203416.8455 3053.3975 0.0000 0.0000 51864.2454 -109429.0775 298.0645 -161293.3229 -109071.5344 298.0450 77.1061 104.6514 763355.3716 -5.0227 -4.9354 PRESSURE: 112600 136.669 151.733 106.985 151.733 -53.49 -35.6288 106.985 -35.629 -166.801 GPRESSURE: 112600 167.825 114.909 102.279 216.79 12.0906 -123.203 26.9495 23.9433 -179.082 PRESSAVG: 112600 26.5529 64.9442 -56.6225 64.9443 8.9554 14.3287 -56.6225 14.3288 20.8819 GPRESSAVG: 112600 27.0918 64.8447 -55.9609 65.5154 8.94863 14.6176 -58.6687 14.3119 20.6026 TIMING: 112600 CPU: 354.618, 0.0031768/step Wall: 354.618, 0.0031768/step, 4.31286 hours remaining, 231.359375 MB of memory in use. ENERGY: 112600 4014.1779 20412.4209 14513.5292 249.0841 -202976.8415 2746.4706 0.0000 0.0000 51690.4370 -109350.7218 297.0657 -161041.1588 -108997.9989 298.3127 -27.8742 0.2778 764819.8184 18.7967 18.8810 PRESSURE: 112800 -72.0646 0.715666 -14.1933 0.715219 -14.9539 23.582 -14.1933 23.5823 -319.415 GPRESSURE: 112800 -15.1291 -129.777 -102.439 0.381578 -46.0305 -20.9972 24.0409 -75.8769 -270.316 PRESSAVG: 112800 -63.4708 16.6184 -72.2647 16.6185 5.31803 51.9827 -72.2647 51.9828 2.43137 GPRESSAVG: 112800 -63.4031 15.3994 -72.181 16.4107 5.54768 49.5775 -69.2401 54.4321 1.33118 TIMING: 112800 CPU: 355.255, 0.00318673/step Wall: 355.255, 0.00318673/step, 4.32616 hours remaining, 231.359375 MB of memory in use. ENERGY: 112800 4014.0605 20372.8347 14472.1219 249.8617 -203550.9228 2877.4626 0.0000 0.0000 52056.2435 -109508.3379 299.1679 -161564.5814 -109149.8772 298.3987 -135.4778 -110.4918 762491.9005 -18.5738 -18.8414 PRESSURE: 113000 -82.1589 -51.1269 -178.903 -51.1265 70.1121 -200.459 -178.903 -200.458 -221.924 GPRESSURE: 113000 -81.1284 -123.951 -31.6289 7.6434 124.699 -55.6905 -262.63 -177.169 -184.396 PRESSAVG: 113000 -8.05996 31.4398 -51.5397 31.4398 -24.0758 14.696 -51.5398 14.6959 8.55885 GPRESSAVG: 113000 -9.27181 32.1082 -51.5045 31.959 -24.704 16.9744 -50.4602 10.4929 10.0788 TIMING: 113000 CPU: 355.893, 0.00318874/step Wall: 355.893, 0.00318874/step, 4.32872 hours remaining, 231.359375 MB of memory in use. ENERGY: 113000 3957.2602 20403.2372 14471.6847 258.1156 -203024.9541 2560.7933 0.0000 0.0000 51793.7433 -109580.1197 297.6594 -161373.8630 -109220.8332 298.0820 -77.9903 -46.9418 763095.2368 -7.8590 -7.9657 PRESSURE: 113200 -67.0669 94.5782 -243.353 94.5786 141.984 62.4422 -243.353 62.4419 -121.99 GPRESSURE: 113200 95.6201 78.9023 -313.926 11.4655 61.3263 98.5472 -200.618 59.733 -118.249 PRESSAVG: 113200 8.25691 -9.14761 -34.4358 -9.14766 -15.6943 38.0943 -34.4359 38.0943 24.6259 GPRESSAVG: 113200 7.72925 -9.19355 -34.6766 -8.88081 -15.3097 37.8975 -35.4995 40.5028 24.7255 TIMING: 113200 CPU: 356.531, 0.00319182/step Wall: 356.531, 0.00319182/step, 4.33272 hours remaining, 231.359375 MB of memory in use. ENERGY: 113200 4093.7129 20512.6457 14495.2121 256.9426 -203305.9197 2631.2484 0.0000 0.0000 51974.7704 -109341.3875 298.6997 -161316.1580 -108985.6140 298.6334 -15.6911 12.8993 762588.5557 5.7295 5.7150 PRESSURE: 113400 -9.50723 -129.476 -312.442 -129.476 -6.12635 -283.538 -312.441 -283.538 73.8038 GPRESSURE: 113400 46.4417 -70.9065 -281.724 -51.5382 6.12782 -292.978 -320.456 -104.405 99.587 PRESSAVG: 113400 -9.86589 59.0409 -4.986 59.041 37.1696 10.6083 -4.98599 10.6083 9.67462 GPRESSAVG: 113400 -9.13146 58.9812 -6.24331 60.2553 37.4864 9.23616 -4.6639 11.5493 8.61678 TIMING: 113400 CPU: 357.175, 0.00321814/step Wall: 357.175, 0.00321814/step, 4.36827 hours remaining, 231.359375 MB of memory in use. ENERGY: 113400 3986.9781 20462.8062 14433.7094 231.4896 -203539.9335 2884.7658 0.0000 0.0000 51985.4780 -109554.7064 298.7613 -161540.1844 -109186.8415 298.8086 19.3901 50.7189 763548.6787 12.3261 12.3239 PRESSURE: 113600 -255.788 -62.9322 -254.853 -62.9332 -196.204 -20.8522 -254.853 -20.8518 -166.173 GPRESSURE: 113600 -231.349 -75.655 -216.501 -31.4445 -159.405 -32.1079 -269.059 19.0591 -152.646 PRESSAVG: 113600 -36.7308 38.871 -20.3486 38.8709 13.1181 4.96165 -20.3486 4.96162 -29.6111 GPRESSAVG: 113600 -35.4981 37.3468 -18.5002 40.5983 11.6465 7.6713 -21.3603 2.45576 -29.8347 TIMING: 113600 CPU: 357.819, 0.00322283/step Wall: 357.819, 0.00322283/step, 4.37445 hours remaining, 231.343750 MB of memory in use. ENERGY: 113600 3989.4401 20457.8971 14478.3292 246.8441 -203022.3708 2577.6338 0.0000 0.0000 51861.0565 -109411.1701 298.0462 -161272.2265 -109053.4405 297.8189 -206.0551 -181.1335 762762.1533 -17.7413 -17.8954 PRESSURE: 113800 -456.018 -230.05 -154.116 -230.051 -67.0684 182.26 -154.117 182.261 3.9456 GPRESSURE: 113800 -344.215 -256.271 -143.505 -285.088 -29.2758 171.215 -133.944 159.399 -44.6755 PRESSAVG: 113800 -11.9583 3.52083 -25.8014 3.52082 6.09651 -6.63047 -25.8014 -6.63047 18.3629 GPRESSAVG: 113800 -13.8822 4.54939 -26.6182 1.7363 7.38337 -9.14108 -26.0521 -5.76702 18.8224 TIMING: 113800 CPU: 358.461, 0.00320986/step Wall: 358.461, 0.00320986/step, 4.35667 hours remaining, 231.343750 MB of memory in use. ENERGY: 113800 4059.9349 20364.9536 14379.8772 227.2178 -202951.2143 2677.4478 0.0000 0.0000 51839.7769 -109402.0061 297.9239 -161241.7830 -109033.4965 298.1411 -173.0471 -139.3889 764327.5560 4.1670 4.1078 PRESSURE: 114000 -72.9611 -95.5051 -74.8965 -95.5057 79.8331 -11.6516 -74.8971 -11.6514 2.79055 GPRESSURE: 114000 10.7894 -50.3804 -53.5769 -171.413 102.342 -15.2944 -269.264 129.208 -0.297124 PRESSAVG: 114000 -6.14569 26.2323 -32.656 26.2323 34.5195 28.242 -32.656 28.242 15.1067 GPRESSAVG: 114000 -5.50875 27.029 -33.8962 24.3046 33.621 30.2428 -32.1901 29.2264 15.1724 TIMING: 114000 CPU: 359.103, 0.00321069/step Wall: 359.103, 0.00321069/step, 4.35762 hours remaining, 231.343750 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: 114000 4047.8626 20332.6846 14463.4119 233.8778 -203564.5005 3025.8523 0.0000 0.0000 52096.7648 -109364.0464 299.4008 -161460.8112 -109001.0744 298.4726 3.2209 37.6113 763902.9831 14.4935 14.4282 PRESSURE: 114200 -74.8285 83.2292 14.9159 83.2288 142.189 83.0631 14.9152 83.0633 -105.531 GPRESSURE: 114200 -44.1342 160.775 -13.3509 9.73432 208.815 93.7852 206.642 -27.9231 -130.657 PRESSAVG: 114200 -13.049 31.377 1.6215 31.3769 -15.3943 49.4444 1.62146 49.4444 -0.667522 GPRESSAVG: 114200 -13.7681 30.3629 1.93863 31.3989 -14.1664 48.7004 2.07525 49.1829 -0.641109 TIMING: 114200 CPU: 359.739, 0.00318031/step Wall: 359.739, 0.00318031/step, 4.31621 hours remaining, 231.343750 MB of memory in use. ENERGY: 114200 3982.3757 20436.1253 14405.2346 246.3289 -203025.1704 2871.1393 0.0000 0.0000 52068.0009 -109015.9657 299.2355 -161083.9666 -108644.8508 298.7731 -12.7235 11.3412 765378.3657 -9.7036 -9.5252 PRESSURE: 114400 35.886 32.437 18.0084 32.4369 12.9166 -28.5969 18.0086 -28.597 -207.878 GPRESSURE: 114400 85.0888 116.061 47.3132 111.662 22.6117 16.5897 108.041 -1.65419 -208.306 PRESSAVG: 114400 -29.5435 52.2429 -28.9098 52.2429 24.4535 23.0858 -28.9098 23.0858 -22.974 GPRESSAVG: 114400 -28.3681 53.8032 -28.9317 52.4523 24.145 23.6739 -28.5525 21.3959 -23.7044 TIMING: 114400 CPU: 360.375, 0.00317892/step Wall: 360.375, 0.00317892/step, 4.31415 hours remaining, 231.343750 MB of memory in use. ENERGY: 114400 3991.9583 20521.1370 14371.2718 239.9289 -202943.7605 2816.6424 0.0000 0.0000 52169.2599 -108833.5622 299.8175 -161002.8221 -108483.4856 299.6347 -53.0251 -33.5351 765353.8931 -9.3547 -9.3092 PRESSURE: 114600 -157.15 -31.1713 -42.4312 -31.1714 -30.179 -265.845 -42.431 -265.844 -180.776 GPRESSURE: 114600 -105.343 56.8423 -6.19164 -60.4981 -38.4964 -181.3 -34.4429 -201.574 -134.29 PRESSAVG: 114600 27.5313 8.93427 13.6778 8.93429 -29.0546 19.3215 13.6777 19.3215 -15.2835 GPRESSAVG: 114600 28.2489 8.33965 13.3124 8.53888 -30.4432 17.9348 14.0408 21.7847 -14.6731 TIMING: 114600 CPU: 361.011, 0.00317886/step Wall: 361.011, 0.00317886/step, 4.31388 hours remaining, 231.343750 MB of memory in use. ENERGY: 114600 4031.3035 20619.4790 14366.1244 251.0186 -203022.8347 2875.3126 0.0000 0.0000 52013.7144 -108865.8822 298.9235 -160879.5966 -108502.6589 300.0583 -122.7018 -92.7100 764234.7896 -5.6023 -5.6225 PRESSURE: 114800 -51.8644 19.6199 12.9402 19.6199 70.6848 92.4205 12.9399 92.4195 -352.223 GPRESSURE: 114800 15.7292 16.2492 51.2337 43.6602 48.0867 75.2589 -3.68767 -22.4767 -313.647 PRESSAVG: 114800 2.0174 -15.6081 -23.6379 -15.608 -9.28345 -9.73668 -23.638 -9.73675 -2.61008 GPRESSAVG: 114800 0.471459 -11.8013 -23.0212 -16.5561 -8.61061 -9.56822 -23.3836 -12.5845 -1.70444 TIMING: 114800 CPU: 361.643, 0.00316291/step Wall: 361.643, 0.00316291/step, 4.29207 hours remaining, 231.468750 MB of memory in use. ENERGY: 114800 3985.0144 20447.0568 14365.0282 255.5208 -203069.7764 2989.9885 0.0000 0.0000 52159.7565 -108867.4112 299.7628 -161027.1677 -108510.6597 299.6122 -111.1341 -83.2769 764930.8630 -3.2920 -3.2812 PRESSURE: 115000 -100.48 41.4721 -131.067 41.473 212.647 -0.812345 -131.067 -0.81079 -5.73953 GPRESSURE: 115000 -105.062 23.3068 -152.768 12.6061 292.686 30.4131 -155.733 -53.3198 16.6229 PRESSAVG: 115000 1.38026 18.5791 3.93149 18.5792 -5.92922 -25.8225 3.93143 -25.8226 -7.42974 GPRESSAVG: 115000 1.7666 14.5592 4.90548 20.2103 -4.66026 -26.0429 2.45687 -24.5771 -8.88264 TIMING: 115000 CPU: 362.273, 0.0031481/step Wall: 362.273, 0.0031481/step, 4.2718 hours remaining, 231.468750 MB of memory in use. ENERGY: 115000 3999.2120 20429.0127 14438.9650 250.5117 -202750.1513 2680.7742 0.0000 0.0000 52103.2902 -108848.3856 299.4383 -160951.6758 -108490.6854 299.7820 35.4759 68.0822 763966.8532 -3.9929 -3.9254 PRESSURE: 115200 -265.242 68.4974 13.2948 68.498 240.899 7.40997 13.2949 7.40951 -254.554 GPRESSURE: 115200 -272.956 56.407 -2.43369 177.537 312.898 25.8722 8.55968 26.0089 -235.049 PRESSAVG: 115200 40.1781 0.645285 -8.89147 0.645297 -27.7122 -29.3966 -8.89154 -29.3966 8.23855 GPRESSAVG: 115200 40.379 1.51357 -10.5413 -0.758298 -28.2494 -28.6508 -8.19577 -31.2639 8.10946 TIMING: 115200 CPU: 362.906, 0.00316394/step Wall: 362.906, 0.00316394/step, 4.29312 hours remaining, 231.468750 MB of memory in use. ENERGY: 115200 3906.6890 20524.4591 14449.1697 231.6677 -202902.2115 2651.8896 0.0000 0.0000 52002.5354 -109135.8011 298.8593 -161138.3365 -108777.8550 299.2498 -92.9655 -65.0358 764679.0750 6.9015 6.7463 PRESSURE: 115400 39.7129 149.822 0.313085 149.822 -202.885 -394.735 0.312305 -394.735 -32.0734 GPRESSURE: 115400 40.0348 48.9202 -17.9545 64.6678 -204.04 -364.407 33.5204 -346.367 58.2567 PRESSAVG: 115400 5.13023 51.6018 12.2115 51.6018 -1.09104 -3.90613 12.2115 -3.90606 14.2739 GPRESSAVG: 115400 3.85717 49.5257 12.2336 51.7713 -2.29001 -3.92333 12.015 -1.77367 16.6751 TIMING: 115400 CPU: 363.545, 0.00319431/step Wall: 363.545, 0.00319431/step, 4.33414 hours remaining, 231.468750 MB of memory in use. ENERGY: 115400 3961.7687 20400.1060 14474.4289 251.3167 -202593.0998 2371.0278 0.0000 0.0000 51755.3531 -109379.0986 297.4387 -161134.4517 -109015.4934 298.9689 -65.0818 -35.2496 763212.0199 6.1044 6.0808 PRESSURE: 115600 125.502 -67.4877 303.878 -67.4875 76.3582 -72.3452 303.878 -72.3445 -146.437 GPRESSURE: 115600 205.46 -19.3475 218.748 -24.5474 21.2942 -51.7936 215.459 -88.7749 -96.4472 PRESSAVG: 115600 16.9172 19.2031 -20.0546 19.2032 33.3348 -3.01833 -20.0546 -3.01833 9.61143 GPRESSAVG: 115600 16.4465 22.0291 -19.7338 20.0434 34.6855 -4.7062 -20.6993 -3.33091 8.4929 TIMING: 115600 CPU: 364.181, 0.00318186/step Wall: 364.181, 0.00318186/step, 4.31708 hours remaining, 231.468750 MB of memory in use. ENERGY: 115600 4015.0791 20395.3722 14437.2763 241.8003 -203008.0506 2593.3236 0.0000 0.0000 51921.3917 -109403.8074 298.3930 -161325.1991 -109041.3003 298.5683 18.4743 43.4357 762248.7141 19.9545 19.8750 PRESSURE: 115800 4.61532 29.3499 -51.5635 29.3496 -150.012 -98.081 -51.5634 -98.0803 319.366 GPRESSURE: 115800 35.7432 21.5445 -158.074 6.97839 3.183 -128.984 -86.5189 -77.467 238.352 PRESSAVG: 115800 -29.4805 17.5403 40.8709 17.5403 28.4524 -61.0906 40.871 -61.0906 43.5641 GPRESSAVG: 115800 -27.8913 16.3704 40.2998 17.5191 28.1417 -59.1188 43.063 -62.2777 42.2102 TIMING: 115800 CPU: 364.811, 0.00314921/step Wall: 364.811, 0.00314921/step, 4.27261 hours remaining, 231.468750 MB of memory in use. ENERGY: 115800 4001.2783 20334.3056 14444.9345 241.9802 -202798.3638 2523.7086 0.0000 0.0000 51834.9029 -109417.2536 297.8959 -161252.1565 -109074.6279 298.4401 57.9900 92.4260 763289.5985 14.1787 14.1535 PRESSURE: 116000 51.1594 -187.201 -285.233 -187.2 -66.7645 38.9547 -285.232 38.9547 -260.833 GPRESSURE: 116000 64.014 -208.04 -279.917 -190.926 82.1708 -29.9736 -203.079 143.013 -331.481 PRESSAVG: 116000 36.0143 14.7249 -35.6186 14.7249 4.54358 -40.6009 -35.6186 -40.6008 -13.6027 GPRESSAVG: 116000 34.7237 13.9467 -34.6447 15.103 3.90484 -40.2064 -38.3955 -41.148 -11.7062 TIMING: 116000 CPU: 365.444, 0.00316482/step Wall: 365.444, 0.00316482/step, 4.29361 hours remaining, 231.468750 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: 116000 4038.5771 20374.9926 14406.7806 265.5011 -202990.9146 2606.3939 0.0000 0.0000 51866.7863 -109431.8831 298.0791 -161298.6694 -109073.8245 298.3998 -92.1461 -61.7653 762259.3885 8.9851 8.9741 PRESSURE: 116200 84.6396 -64.9967 204.68 -64.9968 271.95 31.1748 204.681 31.174 -227.037 GPRESSURE: 116200 113.971 -121.548 175.586 -35.5713 244.923 42.6512 112.79 128.21 -132.673 PRESSAVG: 116200 34.6801 -13.3933 -16.3282 -13.3934 -31.667 -39.0895 -16.3282 -39.0895 14.236 GPRESSAVG: 116200 36.5229 -12.3812 -17.0158 -13.8978 -31.5114 -39.8633 -14.5247 -37.1982 12.4813 TIMING: 116200 CPU: 366.075, 0.00315308/step Wall: 366.075, 0.00315308/step, 4.27751 hours remaining, 231.468750 MB of memory in use. ENERGY: 116200 3926.8779 20321.6179 14422.5861 242.9921 -203098.1658 2661.7625 0.0000 0.0000 52035.0945 -109487.2349 299.0464 -161522.3294 -109120.2447 298.4800 43.1840 75.4070 763051.3468 5.7497 5.8309 LDB: ============= START OF LOAD BALANCING ============== 378.607 LDB: ============== END OF LOAD BALANCING =============== 378.607 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 378.609 LDB: ============= START OF LOAD BALANCING ============== 378.927 LDB: Largest compute 7029 load 0.032751 is 16.8% of average load 0.194893 LDB: Average compute 0.004412 is 2.3% of average load 0.194893 LDB: TIME 378.931 LOAD: AVG 0.194893 MAX 0.217177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.824 MB LDB: TIME 378.931 LOAD: AVG 0.194893 MAX 0.217177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.027 MB LDB: TIME 378.931 LOAD: AVG 0.194893 MAX 0.217177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.027 MB LDB: ============== END OF LOAD BALANCING =============== 378.933 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 378.938 PRESSURE: 116400 -7.26875 42.2099 -173.956 42.2089 131.562 -114.771 -173.956 -114.771 -505.208 GPRESSURE: 116400 19.6927 -68.9494 -96.3693 32.8601 105.663 -239.002 -198.223 -106.709 -427.105 PRESSAVG: 116400 7.16016 -21.8196 -18.0628 -21.8197 12.8479 -70.0894 -18.0628 -70.0894 8.42779 GPRESSAVG: 116400 6.10173 -21.9168 -18.9504 -21.7218 12.508 -70.6882 -20.3365 -70.4349 9.88841 TIMING: 116400 CPU: 366.721, 0.0032336/step Wall: 366.721, 0.0032336/step, 4.38656 hours remaining, 234.136719 MB of memory in use. ENERGY: 116400 4024.6695 20620.4056 14427.6854 260.7121 -203053.5722 2631.3207 0.0000 0.0000 51949.2886 -109139.4903 298.5533 -161088.7789 -108791.3365 298.7682 -126.9713 -100.5831 762420.5954 9.4786 9.4994 PRESSURE: 116600 208.351 -97.8778 30.937 -97.8778 148.643 32.5191 30.9361 32.5189 3.75638 GPRESSURE: 116600 238.214 -157.01 13.7186 -68.8658 167.547 59.3486 -59.9975 93.8515 17.847 PRESSAVG: 116600 -31.2747 -47.5689 -50.5912 -47.5691 11.81 -52.2651 -50.5913 -52.2651 23.035 GPRESSAVG: 116600 -29.8274 -47.6996 -49.7405 -48.9239 11.7482 -50.6681 -50.2964 -54.3671 21.993 TIMING: 116600 CPU: 367.351, 0.00314832/step Wall: 367.351, 0.00314832/step, 4.2707 hours remaining, 234.542969 MB of memory in use. ENERGY: 116600 4039.3362 20506.9628 14376.5990 246.1441 -202891.4222 2573.3214 0.0000 0.0000 52041.6850 -109107.3737 299.0843 -161149.0587 -108750.1293 299.5583 120.2502 141.2024 761603.5763 1.1901 1.3046 PRESSURE: 116800 -136.388 -86.188 -199.705 -86.1885 -44.4323 -89.2052 -199.705 -89.2055 24.2881 GPRESSURE: 116800 -99.3319 -57.1409 -159.865 -17.1388 40.1329 -104.999 -43.8003 -115.387 -10.2262 PRESSAVG: 116800 2.14277 -7.32129 1.0545 -7.32139 -15.3077 -15.3881 1.05452 -15.388 -10.4721 GPRESSAVG: 116800 2.37376 -7.08659 0.969766 -7.96043 -15.8581 -16.3344 3.06921 -13.9542 -9.85074 TIMING: 116800 CPU: 367.988, 0.00318637/step Wall: 367.988, 0.00318637/step, 4.32214 hours remaining, 234.734375 MB of memory in use. ENERGY: 116800 4073.9145 20413.8926 14464.8102 243.3190 -203578.2873 3040.5788 0.0000 0.0000 52321.9892 -109019.7831 300.6952 -161341.7722 -108665.2161 299.6965 -52.1773 -23.1417 760645.0121 -7.8790 -7.7784 PRESSURE: 117000 12.759 139.699 -289.773 139.7 -93.7469 152.994 -289.772 152.994 100.855 GPRESSURE: 117000 89.9146 161.19 -218.788 94.2876 -108.192 79.3793 -270.463 159.531 112.957 PRESSAVG: 117000 -54.8286 17.8225 9.59717 17.8225 51.3158 -65.2609 9.59718 -65.2609 2.05126 GPRESSAVG: 117000 -55.3991 17.4671 8.69289 18.3499 52.2433 -65.6222 8.986 -66.1388 0.829801 TIMING: 117000 CPU: 368.627, 0.00319399/step Wall: 368.627, 0.00319399/step, 4.3323 hours remaining, 234.734375 MB of memory in use. ENERGY: 117000 4008.1559 20544.8727 14502.7699 270.5878 -203113.7035 2688.6717 0.0000 0.0000 51906.7785 -109191.8670 298.3090 -161098.6455 -108830.8037 299.7888 6.6223 31.5597 761098.0913 -0.4872 -0.7753 PRESSURE: 117200 56.5424 -50.0744 76.5124 -50.0755 372.502 -383.635 76.5129 -383.635 -188.547 GPRESSURE: 117200 111.799 -13.541 32.9581 -30.9076 275.094 -380.963 45.1525 -342.086 -61.1844 PRESSAVG: 117200 -1.00671 2.49949 -16.4032 2.49952 25.4106 -12.9502 -16.4032 -12.9502 -18.9398 GPRESSAVG: 117200 -2.04711 -0.228885 -16.38 4.4024 24.1632 -12.0463 -16.0377 -13.5829 -17.0098 TIMING: 117200 CPU: 369.258, 0.00315735/step Wall: 369.258, 0.00315735/step, 4.28242 hours remaining, 234.734375 MB of memory in use. ENERGY: 117200 3989.9430 20425.6966 14395.1099 243.4202 -203052.4948 2657.8633 0.0000 0.0000 52081.4846 -109258.9772 299.3130 -161340.4617 -108888.8060 299.3877 80.1659 108.5696 762098.7890 1.8214 1.7021 PRESSURE: 117400 -401.967 -45.8841 -132.626 -45.8839 -122.07 -147.562 -132.625 -147.562 275.426 GPRESSURE: 117400 -316.129 -58.1851 -146.952 -37.7934 -66.9159 -95.8035 -172.724 -71.339 240.037 PRESSAVG: 117400 -60.4989 -91.5922 -16.1699 -91.5922 56.3666 -68.3567 -16.1698 -68.3568 12.2128 GPRESSAVG: 117400 -59.7599 -89.7168 -16.3152 -91.8902 57.427 -68.3804 -16.8838 -67.8976 10.7869 TIMING: 117400 CPU: 369.893, 0.00317421/step Wall: 369.893, 0.00317421/step, 4.30511 hours remaining, 234.734375 MB of memory in use. ENERGY: 117400 3959.2794 20458.2718 14511.9443 240.7478 -203377.8024 2775.3420 0.0000 0.0000 52122.8149 -109309.4021 299.5505 -161432.2171 -108937.3826 298.9025 -82.8701 -47.6693 762754.6512 2.6935 2.8180 PRESSURE: 117600 -0.646934 -4.72919 148.474 -4.72914 -118.419 68.0345 148.474 68.0351 -434.658 GPRESSURE: 117600 37.2879 -43.6957 152.16 88.0565 -123.777 55.0433 141.502 -13.3361 -380.709 PRESSAVG: 117600 -20.8566 -46.1669 3.31246 -46.1669 33.9502 14.5519 3.31242 14.552 6.61249 GPRESSAVG: 117600 -21.5527 -46.0739 4.09387 -47.2893 34.531 16.4776 2.68716 12.9849 7.05008 TIMING: 117600 CPU: 370.535, 0.00321035/step Wall: 370.535, 0.00321035/step, 4.35394 hours remaining, 234.734375 MB of memory in use. ENERGY: 117600 3968.0819 20530.1904 14443.4414 226.2519 -202836.8517 2263.6302 0.0000 0.0000 52057.6642 -109347.5918 299.1761 -161405.2560 -108981.4353 299.1333 -184.5748 -155.7329 762475.6249 6.5687 6.6761 PRESSURE: 117800 40.0323 64.7149 -309.514 64.7152 -16.0749 115.578 -309.515 115.578 -254.405 GPRESSURE: 117800 75.1942 91.1714 -266.398 130.005 -39.0889 94.0992 -266.983 149.47 -183.093 PRESSAVG: 117800 -27.3569 3.11081 -36.6935 3.11085 55.2394 29.6361 -36.6934 29.6361 -5.68108 GPRESSAVG: 117800 -27.5185 1.1445 -37.5885 4.45043 55.2425 28.2139 -36.8134 30.9193 -6.00992 TIMING: 117800 CPU: 371.178, 0.00321319/step Wall: 371.178, 0.00321319/step, 4.35762 hours remaining, 234.734375 MB of memory in use. ENERGY: 117800 4027.5316 20470.1679 14419.5668 243.0027 -203298.6270 2577.1002 0.0000 0.0000 52332.1168 -109229.1409 300.7534 -161561.2577 -108871.0334 299.3984 -76.8160 -48.9958 761365.8380 7.4005 7.2380 PRESSURE: 118000 -314.174 -79.7762 -43.5716 -79.7768 -236.863 247.033 -43.5722 247.034 -182.335 GPRESSURE: 118000 -190.965 -46.447 26.8534 -78.4816 -201.832 228.151 43.2138 170.432 -262.536 PRESSAVG: 118000 7.70637 2.86882 -21.5503 2.86879 1.75303 41.7727 -21.5503 41.7726 -6.79858 GPRESSAVG: 118000 8.59786 4.94682 -20.7946 0.384272 0.841537 40.4869 -20.959 42.1301 -6.80798 TIMING: 118000 CPU: 371.814, 0.00317998/step Wall: 371.814, 0.00317998/step, 4.31241 hours remaining, 234.734375 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: 118000 4024.5409 20601.5605 14417.2508 244.8064 -202862.6992 2072.5233 0.0000 0.0000 52251.8528 -109250.1646 300.2921 -161502.0174 -108889.4274 299.5460 -244.4575 -218.4439 762551.8221 0.8869 0.8771 PRESSURE: 118200 -301.142 -91.8626 -46.5672 -91.8623 -128.85 92.0645 -46.5679 92.0646 53.546 GPRESSURE: 118200 -259.42 -172.161 -15.6566 -121.129 -87.0877 32.1232 -62.6089 27.8981 55.7038 PRESSAVG: 118200 -30.4769 1.05813 4.76778 1.05815 48.3836 4.78578 4.76779 4.78565 -6.46536 GPRESSAVG: 118200 -29.9109 -0.0430884 3.0718 0.808589 49.174 4.48858 5.97653 7.13539 -7.58003 TIMING: 118200 CPU: 372.448, 0.00317212/step Wall: 372.448, 0.00317212/step, 4.30157 hours remaining, 234.734375 MB of memory in use. ENERGY: 118200 4012.0779 20664.2101 14379.2776 256.1562 -202854.6046 2355.2919 0.0000 0.0000 52196.5489 -108991.0420 299.9743 -161187.5909 -108628.0054 299.6739 -125.4822 -96.9347 762923.4606 3.8138 3.8943 PRESSURE: 118400 -234.24 86.1267 69.6144 86.1274 249.549 -29.8028 69.6142 -29.8024 -135.638 GPRESSURE: 118400 -207.281 65.9076 131.507 96.5255 260.051 -8.43497 63.7552 22.875 -103.427 PRESSAVG: 118400 -51.5385 -8.04249 23.2619 -8.04248 39.7677 8.54713 23.2619 8.54708 10.9318 GPRESSAVG: 118400 -53.7299 -9.2287 23.5842 -7.91468 41.0381 10.8221 22.9227 5.10487 11.8141 TIMING: 118400 CPU: 373.087, 0.0031936/step Wall: 373.087, 0.0031936/step, 4.33052 hours remaining, 234.734375 MB of memory in use. ENERGY: 118400 3985.9791 20665.6959 14453.3207 250.9114 -203279.2518 2823.2481 0.0000 0.0000 52130.1538 -108969.9427 299.5927 -161100.0965 -108607.9100 299.9610 -40.1098 -16.8855 762693.3354 -0.2797 -0.2926 PRESSURE: 118600 -217.271 102.725 -14.4878 102.726 -45.0102 40.6049 -14.488 40.6062 31.968 GPRESSURE: 118600 -137.011 14.2484 59.1094 168.744 5.50509 71.9199 22.394 37.2185 11.0765 PRESSAVG: 118600 -92.5292 -6.35694 27.9153 -6.35695 107.337 -12.4845 27.9153 -12.4845 0.188976 GPRESSAVG: 118600 -91.1172 -6.55172 29.09 -4.5586 106.309 -12.5418 27.8727 -10.5539 0.132876 TIMING: 118600 CPU: 373.722, 0.00317395/step Wall: 373.722, 0.00317395/step, 4.3037 hours remaining, 234.734375 MB of memory in use. ENERGY: 118600 3985.9676 20630.8067 14404.5978 249.5528 -203416.5929 2876.4776 0.0000 0.0000 52165.4414 -109103.7490 299.7955 -161269.1903 -108737.3690 300.0185 -76.7712 -40.1430 765091.0493 4.9991 5.1082 PRESSURE: 118800 390.955 -128.056 -128.071 -128.056 77.9458 -149.338 -128.07 -149.339 -255.295 GPRESSURE: 118800 340.681 -93.3192 -132.627 -82.3428 135.843 -136.419 8.29733 -193.729 -167.203 PRESSAVG: 118800 -14.4353 -48.8213 -8.67081 -48.8213 55.2305 13.5285 -8.6708 13.5284 6.09548 GPRESSAVG: 118800 -14.9595 -46.3453 -9.17223 -49.5754 55.5304 13.762 -9.57139 12.4963 6.79102 TIMING: 118800 CPU: 374.354, 0.00316227/step Wall: 374.354, 0.00316227/step, 4.28769 hours remaining, 234.734375 MB of memory in use. ENERGY: 118800 4047.8469 20534.6141 14517.3680 243.4486 -202878.0909 2708.8391 0.0000 0.0000 52057.3590 -108768.6152 299.1744 -160825.9742 -108406.3195 300.0813 71.2021 103.1068 762015.7415 15.6302 15.7873 PRESSURE: 119000 9.33738 83.3651 156.414 83.3649 50.8085 -172.826 156.414 -172.826 269.389 GPRESSURE: 119000 127.506 39.519 168.796 117.54 82.198 -146.759 139.369 -156.252 208.292 PRESSAVG: 119000 7.81237 -30.3763 -10.8911 -30.3763 -0.694224 -36.9474 -10.8911 -36.9474 0.290406 GPRESSAVG: 119000 8.54033 -29.5269 -10.8388 -31.8508 -0.0921486 -37.2959 -9.5297 -35.5418 -0.677564 TIMING: 119000 CPU: 374.989, 0.00317399/step Wall: 374.989, 0.00317399/step, 4.3034 hours remaining, 234.734375 MB of memory in use. ENERGY: 119000 4022.4936 20709.8016 14471.2761 257.3149 -203046.9705 2777.6029 0.0000 0.0000 52120.4350 -108688.0464 299.5369 -160808.4814 -108337.8566 300.2970 109.8448 139.3322 763646.1317 2.4695 2.5902 PRESSURE: 119200 -104.704 -84.3883 59.4385 -84.3875 209.307 -173.89 59.4392 -173.89 -41.0843 GPRESSURE: 119200 -46.3673 -48.6611 -21.3855 -96.9188 206.363 -156.642 44.7557 -150.007 9.06146 PRESSAVG: 119200 -9.54067 2.33599 -19.3693 2.33607 67.2333 -18.2045 -19.3693 -18.2044 -0.967005 GPRESSAVG: 119200 -10.7949 0.925018 -19.1552 3.44729 67.0348 -17.7244 -19.9489 -18.0282 0.202783 TIMING: 119200 CPU: 375.629, 0.00320105/step Wall: 375.629, 0.00320105/step, 4.33991 hours remaining, 234.734375 MB of memory in use. ENERGY: 119200 4067.5917 20490.6050 14451.1076 237.7345 -203023.7621 2910.7030 0.0000 0.0000 52217.5569 -108648.4634 300.0950 -160866.0204 -108286.3571 300.0798 21.1729 56.3523 761887.0523 18.9086 18.8142 PRESSURE: 119400 47.4736 129.702 333.033 129.702 -108.026 117.878 333.034 117.877 40.2213 GPRESSURE: 119400 39.7178 142.128 316.003 63.5653 -55.6608 163.977 220.442 3.98776 75.7117 PRESSAVG: 119400 -77.4587 20.2783 37.0297 20.2782 40.0225 29.2755 37.0297 29.2755 5.72834 GPRESSAVG: 119400 -75.9191 18.6322 38.3143 21.0252 38.4858 29.0811 35.9714 25.6769 5.04098 TIMING: 119400 CPU: 376.265, 0.00317569/step Wall: 376.265, 0.00317569/step, 4.30535 hours remaining, 234.734375 MB of memory in use. ENERGY: 119400 4026.3947 20491.1645 14478.9032 232.9637 -202971.9584 2764.6050 0.0000 0.0000 52230.1550 -108747.7724 300.1674 -160977.9274 -108388.5871 300.2973 -6.7771 19.9229 762561.3029 -10.5693 -10.7974 PRESSURE: 119600 -13.6753 163.972 -135.341 163.971 -79.8956 106.517 -135.342 106.517 168.622 GPRESSURE: 119600 -25.3224 197.579 -148.509 141.578 25.1245 99 -35.7227 130.409 166.069 PRESSAVG: 119600 -15.5389 -6.44539 -3.00237 -6.44537 23.0021 24.9719 -3.00241 24.9719 19.4084 GPRESSAVG: 119600 -16.3971 -3.45873 -1.92498 -7.80223 24.9414 24.1406 -3.13121 27.684 18.6416 TIMING: 119600 CPU: 376.9, 0.00317682/step Wall: 376.9, 0.00317682/step, 4.30671 hours remaining, 234.734375 MB of memory in use. ENERGY: 119600 3938.8267 20596.9181 14452.0702 241.1484 -202846.9301 2653.3357 0.0000 0.0000 52122.6360 -108841.9950 299.5495 -160964.6310 -108479.5334 299.9744 25.0171 55.2904 763144.1894 8.9572 9.0619 PRESSURE: 119800 -7.12675 25.1656 39.8733 25.1652 101.088 34.2797 39.8729 34.2795 -121.203 GPRESSURE: 119800 50.4985 60.8501 -27.1236 128.03 128.39 -70.9941 64.0712 14.6735 -106.007 PRESSAVG: 119800 -78.7267 -22.1498 -61.8541 -22.1498 67.3646 35.2402 -61.8541 35.2402 4.85508 GPRESSAVG: 119800 -77.8663 -21.9705 -61.9464 -20.5722 66.3152 34.759 -62.1677 36.3999 5.01213 TIMING: 119800 CPU: 377.535, 0.00317563/step Wall: 377.535, 0.00317563/step, 4.30491 hours remaining, 234.734375 MB of memory in use. ENERGY: 119800 3970.1508 20655.9746 14459.9627 248.9310 -203017.8632 2732.2953 0.0000 0.0000 52097.6734 -108852.8753 299.4060 -160950.5487 -108491.9619 300.0019 -9.0803 24.2938 763498.1927 -2.1690 -2.1797 PRESSURE: 120000 44.7751 186.458 -244.12 186.458 120.273 -111.889 -244.119 -111.889 140.233 GPRESSURE: 120000 38.1706 75.1904 -259.15 36.2109 147.093 -153.662 -284.873 -109.84 195.401 PRESSAVG: 120000 -5.97473 6.41102 -46.9741 6.41104 32.3727 -46.2627 -46.9741 -46.2628 13.6117 GPRESSAVG: 120000 -5.80933 6.13221 -47.929 4.90498 32.2508 -46.8308 -45.0719 -48.0407 13.7535 TIMING: 120000 CPU: 378.169, 0.00317202/step Wall: 378.169, 0.00317202/step, 4.29985 hours remaining, 234.734375 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: 120000 4021.1013 20612.1328 14464.7545 248.4943 -203020.7624 2697.4958 0.0000 0.0000 52044.3100 -108932.4736 299.0994 -160976.7836 -108578.1791 299.4512 101.7605 126.8879 763028.2704 13.3366 13.3983 PRESSURE: 120200 -182.981 -30.198 -174.476 -30.1973 -309.482 52.8012 -174.476 52.7996 -19.0555 GPRESSURE: 120200 -136.984 23.1985 -154.457 166.355 -256.686 170.505 -210.604 -7.03128 -33.1971 PRESSAVG: 120200 -36.7193 -29.9712 -8.00504 -29.9712 47.9199 -37.8378 -8.00503 -37.8378 -6.65765 GPRESSAVG: 120200 -37.1178 -30.3707 -8.19901 -28.3733 48.4166 -36.36 -7.84793 -36.8124 -6.43405 TIMING: 120200 CPU: 378.802, 0.00316515/step Wall: 378.802, 0.00316515/step, 4.29036 hours remaining, 234.734375 MB of memory in use. ENERGY: 120200 4062.9711 20538.9818 14441.7905 234.8149 -202684.7662 2349.4740 0.0000 0.0000 52125.8645 -108930.8695 299.5681 -161056.7340 -108565.2487 299.3838 -170.5061 -142.2889 762397.9958 1.5143 1.6216 LDB: ============= START OF LOAD BALANCING ============== 391.337 LDB: ============== END OF LOAD BALANCING =============== 391.337 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 391.339 LDB: ============= START OF LOAD BALANCING ============== 391.657 LDB: Largest compute 7029 load 0.031954 is 16.4% of average load 0.194845 LDB: Average compute 0.004395 is 2.3% of average load 0.194845 LDB: TIME 391.661 LOAD: AVG 0.194845 MAX 0.217565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.312 MB LDB: TIME 391.661 LOAD: AVG 0.194845 MAX 0.217565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.316 MB LDB: TIME 391.661 LOAD: AVG 0.194845 MAX 0.216594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.316 MB LDB: ============== END OF LOAD BALANCING =============== 391.663 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 391.668 PRESSURE: 120400 -114.679 204.418 68.2972 204.417 -23.1906 -16.8521 68.2978 -16.8515 23.2778 GPRESSURE: 120400 -84.2723 262.279 28.877 117.449 43.6226 -9.66274 -62.8572 8.36369 2.36853 PRESSAVG: 120400 22.3209 -22.0232 -35.4888 -22.0232 9.15994 12.0042 -35.4888 12.0042 -9.88608 GPRESSAVG: 120400 23.3609 -20.794 -35.3121 -24.0392 9.52835 12.4516 -36.6361 11.6453 -11.1799 TIMING: 120400 CPU: 379.451, 0.00324477/step Wall: 379.451, 0.00324477/step, 4.3981 hours remaining, 231.878906 MB of memory in use. ENERGY: 120400 4038.0403 20505.0282 14363.2464 244.5362 -202874.5282 2508.2430 0.0000 0.0000 52561.1379 -108654.2963 302.0696 -161215.4342 -108279.3184 300.2953 -38.1973 -12.7604 762038.5508 7.1982 7.2365 PRESSURE: 120600 -272.763 -22.5995 -106.156 -22.5988 -21.4597 -237.696 -106.156 -237.695 70.358 GPRESSURE: 120600 -246.108 -94.7978 -95.9863 -19.6862 31.5888 -267.188 -131.434 -127.211 85.2417 PRESSAVG: 120600 20.9067 9.9874 -20.0731 9.9874 0.405545 -28.7197 -20.0731 -28.7198 8.25526 GPRESSAVG: 120600 20.7302 7.90557 -21.0677 11.4462 -0.0812793 -28.3642 -18.4752 -28.7138 8.94878 TIMING: 120600 CPU: 380.083, 0.00315832/step Wall: 380.083, 0.00315832/step, 4.28075 hours remaining, 232.285156 MB of memory in use. ENERGY: 120600 4075.8550 20464.1699 14393.9462 249.8693 -202903.3988 2700.2387 0.0000 0.0000 52265.6914 -108753.6283 300.3716 -161019.3197 -108395.4826 300.5416 -74.6217 -43.0925 762080.1420 9.8558 9.8659 PRESSURE: 120800 36.5735 -3.87429 -48.4836 -3.87373 60.4033 -68.6989 -48.4834 -68.7 -227.339 GPRESSURE: 120800 35.7425 35.8586 -48.8696 -115.392 138.893 -94.6225 -206.606 -11.0009 -211.931 PRESSAVG: 120800 22.3984 -2.08544 -46.0988 -2.08541 -0.16168 55.8562 -46.0988 55.8561 8.15523 GPRESSAVG: 120800 21.2254 -0.79604 -44.8061 -3.2456 -0.457223 56.0597 -47.4649 54.64 9.98286 TIMING: 120800 CPU: 380.723, 0.0031985/step Wall: 380.723, 0.0031985/step, 4.33503 hours remaining, 232.285156 MB of memory in use. ENERGY: 120800 4100.3602 20425.7472 14391.9597 253.2572 -202965.6674 2539.0563 0.0000 0.0000 52358.4691 -108896.8177 300.9048 -161255.2868 -108517.3895 300.1704 -43.4541 -12.4318 762434.2337 10.1307 10.2504 PRESSURE: 121000 -75.2882 -15.5699 -1.22147 -15.5699 214.811 118.75 -1.22253 118.75 25.7808 GPRESSURE: 121000 32.0927 -58.5864 40.0392 72.7756 223.744 201.01 127.112 111.552 -13.5067 PRESSAVG: 121000 -5.28805 24.6906 -60.5575 24.6905 43.1128 -24.3722 -60.5575 -24.3721 3.12067 GPRESSAVG: 121000 -3.85294 23.0218 -60.6879 26.6587 43.6088 -24.1546 -60.6378 -23.6338 1.74719 TIMING: 121000 CPU: 381.359, 0.00318302/step Wall: 381.359, 0.00318302/step, 4.31387 hours remaining, 232.351562 MB of memory in use. ENERGY: 121000 3952.6829 20743.6467 14431.2123 266.8677 -202948.7023 2656.2735 0.0000 0.0000 52035.9040 -108862.1154 299.0511 -160898.0194 -108503.4872 299.8806 55.1010 80.7767 762059.9783 13.6485 13.8343 PRESSURE: 121200 27.6414 173.166 124.301 173.166 52.1268 7.40714 124.301 7.40777 36.7726 GPRESSURE: 121200 17.141 162.359 67.0357 119.58 96.2127 3.2505 41.2467 -38.4049 89.0561 PRESSAVG: 121200 -43.7344 -5.28342 -58.8345 -5.28344 13.1509 -36.3336 -58.8345 -36.3336 -0.0717065 GPRESSAVG: 121200 -43.705 -4.47682 -58.6984 -5.26019 13.3664 -36.826 -57.6719 -35.5544 -0.987416 TIMING: 121200 CPU: 381.998, 0.00319477/step Wall: 381.998, 0.00319477/step, 4.32963 hours remaining, 232.351562 MB of memory in use. ENERGY: 121200 3967.8853 20659.4624 14354.3881 262.7730 -203300.3585 2764.7716 0.0000 0.0000 52120.6540 -109170.4241 299.5381 -161291.0780 -108807.4527 299.6771 38.8469 67.4699 761498.7899 -10.2184 -10.4420 PRESSURE: 121400 -46.4166 101.217 -203.448 101.217 -135.794 -117.844 -203.448 -117.844 20.3766 GPRESSURE: 121400 -21.7197 134.937 -278.512 123.559 -100.596 -173.95 -153.376 -124.432 61.2146 PRESSAVG: 121400 -50.3808 20.7537 -11.2045 20.7537 81.0474 -22.2254 -11.2044 -22.2254 27.5009 GPRESSAVG: 121400 -49.971 20.1529 -12.1078 19.4073 80.3453 -23.48 -12.0255 -23.0669 28.062 TIMING: 121400 CPU: 382.633, 0.00317536/step Wall: 382.633, 0.00317536/step, 4.30314 hours remaining, 232.351562 MB of memory in use. ENERGY: 121400 4051.1260 20488.6828 14356.2884 266.7691 -202901.9543 2543.1868 0.0000 0.0000 52316.4127 -108879.4885 300.6631 -161195.9012 -108508.2061 299.5297 -53.9448 -20.3669 763804.1299 19.3892 19.4788 PRESSURE: 121600 -114.928 192.536 -10.998 192.536 -168.174 19.7323 -10.9979 19.7324 249.003 GPRESSURE: 121600 -98.8887 178.456 13.2888 172.097 -37.0074 63.4154 -132.324 81.3441 188.083 PRESSAVG: 121600 -48.3691 -0.280882 11.831 -0.280863 13.7912 -42.6054 11.8311 -42.6054 -7.10261 GPRESSAVG: 121600 -48.7433 -1.01289 12.9366 1.9073 14.7252 -41.3896 10.744 -40.4761 -7.6155 TIMING: 121600 CPU: 383.267, 0.00316904/step Wall: 383.267, 0.00316904/step, 4.2944 hours remaining, 232.351562 MB of memory in use. ENERGY: 121600 3991.6703 20554.5949 14446.1809 250.1292 -202975.7860 2602.5604 0.0000 0.0000 52100.4462 -109030.2040 299.4220 -161130.6503 -108668.1482 299.7993 -11.3662 17.3957 764075.7506 -13.8935 -13.8779 PRESSURE: 121800 56.8874 205.642 -31.1553 205.642 158.208 16.4149 -31.1553 16.414 56.5301 GPRESSURE: 121800 150.293 265.488 10.6494 195.005 105.222 67.1285 12.595 64.3634 88.7502 PRESSAVG: 121800 -22.4856 19.7328 -51.2956 19.7328 41.8827 -22.5192 -51.2956 -22.5193 13.634 GPRESSAVG: 121800 -23.4824 21.8847 -51.4709 18.2352 41.3547 -22.7645 -51.4425 -22.5005 14.937 TIMING: 121800 CPU: 383.902, 0.00317485/step Wall: 383.902, 0.00317485/step, 4.3021 hours remaining, 232.351562 MB of memory in use. ENERGY: 121800 4050.3556 20706.7442 14456.5652 250.9030 -203445.2264 2769.7134 0.0000 0.0000 52305.0105 -108905.9344 300.5976 -161210.9449 -108534.8197 299.7660 90.5420 114.7551 762277.4607 11.0104 10.9365 PRESSURE: 122000 -300.464 -5.32382 -354.827 -5.32342 65.9578 107.53 -354.827 107.531 -9.97598 GPRESSURE: 122000 -228.809 -18.7922 -309.745 11.7199 89.8531 40.6107 -277.373 84.2772 -27.9544 PRESSAVG: 122000 -24.2094 -6.01005 -29.5487 -6.01002 8.25934 -4.78861 -29.5487 -4.78856 18.7822 GPRESSAVG: 122000 -22.988 -5.08248 -28.4605 -6.65894 7.5196 -4.97317 -28.6194 -7.27854 18.06 TIMING: 122000 CPU: 384.542, 0.00319778/step Wall: 384.542, 0.00319778/step, 4.33299 hours remaining, 232.351562 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: 122000 3990.1432 20789.0191 14454.0441 249.4912 -202792.4646 2257.6749 0.0000 0.0000 52154.5309 -108897.5612 299.7328 -161052.0921 -108541.5199 299.6954 -81.4939 -55.6368 763183.5988 0.9440 0.8639 PRESSURE: 122200 -149.496 143.787 15.9513 143.787 172.995 -59.1336 15.9518 -59.1343 -121.612 GPRESSURE: 122200 -34.2554 115.948 -33.3208 227.986 226.001 -69.4755 132.243 -30.0763 -207.263 PRESSAVG: 122200 1.26229 -2.06808 -34.3195 -2.06808 -18.3789 5.023 -34.3195 5.02294 -17.78 GPRESSAVG: 122200 1.08889 -3.10814 -36.4256 -2.20183 -17.46 5.39488 -33.3 7.28226 -18.405 TIMING: 122200 CPU: 385.177, 0.00317574/step Wall: 385.177, 0.00317574/step, 4.30296 hours remaining, 232.351562 MB of memory in use. ENERGY: 122200 3933.7833 20498.6717 14432.6157 256.9581 -203059.4959 2702.4345 0.0000 0.0000 52280.4724 -108954.5602 300.4566 -161235.0325 -108585.5826 299.3563 -32.7042 -5.1725 762913.6702 -11.6322 -11.5920 PRESSURE: 122400 -163.104 23.2392 2.98946 23.2391 -110.24 -32.9845 2.99086 -32.9856 -240.729 GPRESSURE: 122400 -205.114 -76.7328 5.54024 12.3555 -8.01313 -106.961 -47.239 -152.716 -217.745 PRESSAVG: 122400 -36.9061 -16.1395 -40.145 -16.1395 -0.539368 -2.59453 -40.145 -2.5944 -1.59304 GPRESSAVG: 122400 -36.9054 -17.5627 -39.6486 -14.6129 -0.397091 -1.91451 -41.2622 -4.22757 -1.32383 TIMING: 122400 CPU: 385.807, 0.00315271/step Wall: 385.807, 0.00315271/step, 4.27157 hours remaining, 232.351562 MB of memory in use. ENERGY: 122400 3962.3541 20620.5448 14504.7757 230.5390 -203131.4870 2655.2894 0.0000 0.0000 51983.9337 -109174.0503 298.7524 -161157.9839 -108808.8361 299.1269 -171.3579 -143.6241 762316.3870 -13.0128 -12.8754 PRESSURE: 122600 -75.9895 -110.166 306.521 -110.165 -15.4954 30.9411 306.521 30.941 -230.399 GPRESSURE: 122600 -40.1121 -200.678 295.347 -57.8152 36.7131 56.7532 237.882 74.8895 -217.244 PRESSAVG: 122600 53.3316 -11.9538 -26.1417 -11.9538 -27.3408 17.6225 -26.1416 17.6224 -24.8217 GPRESSAVG: 122600 52.1787 -10.4826 -25.7003 -13.4989 -28.8127 17.5128 -24.9589 17.6607 -22.2581 TIMING: 122600 CPU: 386.432, 0.00312462/step Wall: 386.432, 0.00312462/step, 4.23333 hours remaining, 232.351562 MB of memory in use. ENERGY: 122600 3951.0467 20425.6530 14428.7388 256.5768 -202802.4346 2509.6582 0.0000 0.0000 51962.2425 -109268.5184 298.6277 -161230.7610 -108912.7643 298.8322 -107.2945 -73.5476 763395.1955 0.3897 0.3693 PRESSURE: 122800 -320.247 -44.3635 147.285 -44.3626 -435.762 -55.2434 147.285 -55.2435 -259.367 GPRESSURE: 122800 -146.453 -7.91224 74.5661 -55.2879 -488.742 24.0926 72.8801 -59.5179 -296.83 PRESSAVG: 122800 -4.72102 -79.0809 22.6727 -79.0809 -3.71936 -3.07571 22.6727 -3.07574 1.41806 GPRESSAVG: 122800 -0.856647 -78.5155 21.3161 -77.7875 -4.4597 -1.79002 22.9825 -1.91187 -1.39787 TIMING: 122800 CPU: 387.061, 0.00314363/step Wall: 387.061, 0.00314363/step, 4.25892 hours remaining, 232.351562 MB of memory in use. ENERGY: 122800 4040.0793 20522.0953 14460.0431 246.4394 -203078.8577 2717.1791 0.0000 0.0000 51981.2850 -109111.7365 298.7372 -161093.0215 -108749.2231 299.2565 -338.4587 -310.6751 764697.1305 -2.3408 -2.2381 PRESSURE: 123000 -420.285 -57.3509 165.035 -57.3508 -279.782 -94.5134 165.035 -94.5127 -235.217 GPRESSURE: 123000 -354.604 -63.6647 156.749 -169.015 -246.855 -52.5045 122.757 -7.9244 -253.102 PRESSAVG: 123000 -14.3467 2.84038 -49.1253 2.84034 35.5008 26.5436 -49.1254 26.5436 -0.185751 GPRESSAVG: 123000 -15.6908 1.78504 -48.7127 2.58185 36.1309 26.2553 -51.2639 25.4373 0.797688 TIMING: 123000 CPU: 387.693, 0.00315828/step Wall: 387.693, 0.00315828/step, 4.27859 hours remaining, 232.351562 MB of memory in use. ENERGY: 123000 4051.1008 20353.7414 14387.0740 249.3591 -203154.5483 2734.4231 0.0000 0.0000 52104.4878 -109274.3622 299.4452 -161378.8500 -108913.7001 299.0708 -311.7617 -284.8535 763447.2941 6.9895 7.0792 PRESSURE: 123200 232.941 152.26 -263.385 152.259 -292.44 -54.5398 -263.385 -54.5387 161.606 GPRESSURE: 123200 225.461 270.58 -296.692 144.925 -268.394 -127.437 -87.0745 -39.9389 209.28 PRESSAVG: 123200 13.7087 -8.63823 31.4944 -8.63821 1.23874 -6.27028 31.4945 -6.27037 4.74576 GPRESSAVG: 123200 12.6969 -7.76747 32.1937 -9.16132 1.73122 -7.06036 34.8528 -6.3583 5.22998 TIMING: 123200 CPU: 388.326, 0.00316746/step Wall: 388.326, 0.00316746/step, 4.29086 hours remaining, 232.351562 MB of memory in use. ENERGY: 123200 3968.2461 20516.5496 14413.0100 230.2658 -203671.1333 3007.0839 0.0000 0.0000 52123.6474 -109412.3306 299.5553 -161535.9780 -109052.7536 299.0281 34.0354 55.4491 762925.7926 6.5644 6.5527 PRESSURE: 123400 -318.636 -12.1648 -7.43623 -12.1656 6.96634 133.587 -7.43608 133.589 204.445 GPRESSURE: 123400 -279.744 -103.459 36.4836 30.7787 42.725 151.452 -89.1138 86.0211 219.447 PRESSAVG: 123400 -3.2746 14.5982 -4.82963 14.5982 -21.2768 -13.2977 -4.8297 -13.2977 -12.65 GPRESSAVG: 123400 -1.91883 14.1784 -4.35598 14.9361 -22.1535 -14.8459 -8.56241 -13.7087 -13.1255 TIMING: 123400 CPU: 388.96, 0.00316715/step Wall: 388.96, 0.00316715/step, 4.29026 hours remaining, 232.351562 MB of memory in use. ENERGY: 123400 3945.2540 20468.6268 14461.8507 256.6220 -202598.2678 2424.5754 0.0000 0.0000 51849.1400 -109192.1990 297.9777 -161041.3390 -108832.5622 298.8922 -35.7417 -5.8573 763047.6264 -12.4005 -12.3993 PRESSURE: 123600 165.439 -167.769 -37.9962 -167.769 -255.017 -31.1522 -37.9956 -31.1523 -167.421 GPRESSURE: 123600 125.702 -56.4556 -11.7771 -182.214 -181.623 -31.7322 -86.4711 -15.3044 -121.631 PRESSAVG: 123600 27.8153 22.9994 4.82493 22.9995 -30.637 -29.8908 4.82494 -29.8907 8.81273 GPRESSAVG: 123600 27.2377 22.416 3.34793 22.2879 -29.2926 -28.514 7.20688 -28.6305 8.0682 TIMING: 123600 CPU: 389.595, 0.00317684/step Wall: 389.595, 0.00317684/step, 4.30321 hours remaining, 232.351562 MB of memory in use. ENERGY: 123600 4042.1029 20398.4095 14433.8408 260.2242 -202905.9430 2462.5109 0.0000 0.0000 52029.5853 -109279.2694 299.0147 -161308.8547 -108927.0085 299.0102 -85.6662 -59.1840 763030.1159 1.9970 2.0044 PRESSURE: 123800 -74.8331 18.1132 91.6544 18.1121 -220.479 -172.239 91.6543 -172.238 -54.9508 GPRESSURE: 123800 -33.033 51.0857 76.4355 72.9381 -137.395 -198.257 96.3096 -160.948 -105.228 PRESSAVG: 123800 36.3915 -17.9513 -6.30086 -17.9512 -43.4225 84.8589 -6.30082 84.8588 4.14165 GPRESSAVG: 123800 36.1606 -16.0371 -4.33833 -17.1721 -43.4221 84.8558 -8.51293 85.2445 4.56401 TIMING: 123800 CPU: 390.228, 0.00316388/step Wall: 390.228, 0.00316388/step, 4.28548 hours remaining, 232.351562 MB of memory in use. ENERGY: 123800 4014.7498 20348.6026 14426.1115 246.5577 -202909.5063 2679.4881 0.0000 0.0000 51904.4521 -109289.5445 298.2956 -161193.9966 -108926.3491 299.0140 -116.7544 -91.8853 762315.7376 -0.9631 -0.8992 PRESSURE: 124000 -257.782 274.286 83.4135 274.286 -195.811 -87.547 83.4136 -87.547 -262.167 GPRESSURE: 124000 -253.616 52.2477 123.925 250.565 -163.192 -107.277 129.611 -147.391 -210.704 PRESSAVG: 124000 28.5732 -2.28673 59.1539 -2.28669 -45.469 -1.38972 59.1539 -1.38963 -3.37183 GPRESSAVG: 124000 26.9067 -4.12932 58.5568 -4.01518 -45.5827 -2.08547 62.6704 -2.87156 -1.42423 TIMING: 124000 CPU: 390.858, 0.00314924/step Wall: 390.858, 0.00314924/step, 4.26547 hours remaining, 232.351562 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: 124000 3954.5219 20443.1262 14444.7924 246.5534 -203178.4538 2645.7980 0.0000 0.0000 52020.0855 -109423.5765 298.9601 -161443.6619 -109058.0685 298.9827 -238.5867 -209.1706 762323.6585 -6.7559 -6.7001 PRESSURE: 124200 -140.823 49.7089 -342.176 49.7095 61.6352 12.5041 -342.176 12.5043 166 GPRESSURE: 124200 -40.2701 41.9723 -233.918 22.556 62.331 -1.84524 -274.368 -17.0427 172.719 PRESSAVG: 124200 42.4153 -23.3348 -23.4223 -23.3349 -39.4415 10.0883 -23.4224 10.0885 -30.3961 GPRESSAVG: 124200 44.1836 -21.9158 -24.7081 -21.9188 -39.8245 9.0899 -23.9367 11.6459 -31.8315 TIMING: 124200 CPU: 391.484, 0.00313366/step Wall: 391.484, 0.00313366/step, 4.2442 hours remaining, 232.351562 MB of memory in use. ENERGY: 124200 3928.1819 20512.2437 14421.3856 228.7709 -202910.9206 2411.4341 0.0000 0.0000 51976.9064 -109431.9980 298.7120 -161408.9044 -109073.5620 298.9005 28.9374 64.9268 762250.7465 -9.1408 -9.1575 LDB: ============= START OF LOAD BALANCING ============== 404.016 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 404.016 LDB: =============== DONE WITH MIGRATION ================ 404.018 LDB: ============= START OF LOAD BALANCING ============== 404.336 LDB: Largest compute 7060 load 0.031702 is 16.3% of average load 0.194927 LDB: Average compute 0.004370 is 2.2% of average load 0.194927 LDB: TIME 404.339 LOAD: AVG 0.194927 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.312 MB LDB: TIME 404.34 LOAD: AVG 0.194927 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.52 MB LDB: TIME 404.34 LOAD: AVG 0.194927 MAX 0.214085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.52 MB LDB: ============== END OF LOAD BALANCING =============== 404.342 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 404.346 PRESSURE: 124400 100.069 -249.708 -213.697 -249.708 510.979 -54.0886 -213.698 -54.088 546.866 GPRESSURE: 124400 167.391 -161.834 -295.948 -232.078 524.709 -82.4833 -52.813 -2.39279 548.615 PRESSAVG: 124400 -3.94658 16.4275 8.07169 16.4274 41.7145 49.019 8.07164 49.019 -15.1217 GPRESSAVG: 124400 -4.4158 16.9765 8.46132 16.5014 42.6328 50.018 7.30035 48.1035 -15.2684 TIMING: 124400 CPU: 392.13, 0.00322591/step Wall: 392.13, 0.00322591/step, 4.36896 hours remaining, 231.312500 MB of memory in use. ENERGY: 124400 3934.5905 20449.6058 14459.9913 252.7259 -203493.0160 2967.6178 0.0000 0.0000 52019.9325 -109408.5522 298.9593 -161428.4847 -109057.5420 299.0718 385.9712 413.5716 760310.7285 7.5487 7.6495 PRESSURE: 124600 -471.242 232.839 -36.964 232.838 18.51 -174.954 -36.9644 -174.954 -107.272 GPRESSURE: 124600 -453.009 184.052 -92.6293 142.699 56.904 -163.796 111.582 -106.782 -99.413 PRESSAVG: 124600 -31.7169 -20.0419 15.3805 -20.0419 24.4102 -42.7618 15.3804 -42.7618 -9.39052 GPRESSAVG: 124600 -32.2396 -21.8382 16.1209 -19.1055 24.1586 -41.7369 15.7285 -42.0273 -9.34698 TIMING: 124600 CPU: 392.761, 0.00315918/step Wall: 392.761, 0.00315918/step, 4.27841 hours remaining, 231.312500 MB of memory in use. ENERGY: 124600 4006.4447 20300.2021 14457.5858 242.6421 -203223.2743 2549.7664 0.0000 0.0000 52178.6951 -109487.9381 299.8717 -161666.6332 -109117.9526 298.6317 -186.6677 -165.1725 760289.7136 -5.5658 -5.8093 PRESSURE: 124800 -148.55 -28.0191 -300.091 -28.0202 -237.817 178.937 -300.091 178.936 75.941 GPRESSURE: 124800 -169.297 1.57172 -248.604 -70.1156 -165.865 123.133 -252.867 9.64863 114.667 PRESSAVG: 124800 -18.4807 11.9895 -33.5227 11.9895 10.2682 -0.0526986 -33.5227 -0.052713 2.14333 GPRESSAVG: 124800 -18.9156 11.152 -34.2804 10.0333 9.98572 0.498464 -33.2918 -3.40813 2.79403 TIMING: 124800 CPU: 393.397, 0.00317662/step Wall: 393.397, 0.00317662/step, 4.30185 hours remaining, 231.312500 MB of memory in use. ENERGY: 124800 3987.4716 20510.9965 14456.4765 258.3333 -202999.5492 2504.6290 0.0000 0.0000 51819.8403 -109461.8020 297.8093 -161281.6423 -109096.5521 298.6612 -103.4756 -73.4983 762963.1178 -2.0231 -2.0453 PRESSURE: 125000 35.2646 73.0671 79.0731 73.0672 -182.376 241.445 79.0727 241.445 603.887 GPRESSURE: 125000 152.062 42.1251 105.115 60.0372 -143.224 154.501 41.2921 241.553 536.418 PRESSAVG: 125000 -46.3294 -19.0116 22.9106 -19.0116 -0.78912 -60.8003 22.9106 -60.8003 -2.79487 GPRESSAVG: 125000 -46.7451 -17.4433 24.6708 -18.0846 -0.81093 -61.2891 21.5662 -59.426 -2.13243 TIMING: 125000 CPU: 394.033, 0.00318092/step Wall: 394.033, 0.00318092/step, 4.3075 hours remaining, 231.312500 MB of memory in use. ENERGY: 125000 4009.0478 20482.4499 14393.7781 258.5992 -203371.6297 2705.3869 0.0000 0.0000 52023.5647 -109498.8031 298.9801 -161522.3679 -109150.2146 298.8925 152.2587 181.7521 763436.8295 -16.6378 -16.5628 PRESSURE: 125200 242.537 -225.286 18.5371 -225.286 -99.6932 99.8422 18.537 99.8411 -217.731 GPRESSURE: 125200 208.501 -207.108 37.7916 -153.236 -33.4736 64.8361 -6.29765 63.4791 -167.648 PRESSAVG: 125200 -43.027 -22.9924 -28.9544 -22.9924 37.7711 31.1432 -28.9544 31.1431 16.8114 GPRESSAVG: 125200 -43.2458 -23.2068 -30.9753 -24.2092 38.1161 29.3435 -26.7799 33.1963 16.4307 TIMING: 125200 CPU: 394.662, 0.0031455/step Wall: 394.662, 0.0031455/step, 4.25936 hours remaining, 231.312500 MB of memory in use. ENERGY: 125200 4032.0935 20437.6243 14414.0839 243.5805 -203561.5925 2839.8022 0.0000 0.0000 52166.2255 -109428.1826 299.8000 -161594.4081 -109068.0611 299.2042 -24.9624 2.4600 763610.9374 3.8518 3.7670 PRESSURE: 125400 -156.95 -35.4086 93.1203 -35.4086 -88.3575 20.7157 93.12 20.715 -145.209 GPRESSURE: 125400 -79.3244 64.4021 44.7993 -51.0493 -35.9759 87.2017 133.184 -133.21 -196.882 PRESSAVG: 125400 1.30247 47.2733 22.4119 47.2733 2.943 48.7251 22.4119 48.7251 3.99553 GPRESSAVG: 125400 2.44136 47.932 23.4667 48.5878 2.6846 49.3328 20.1801 49.2496 3.22838 TIMING: 125400 CPU: 395.293, 0.00315525/step Wall: 395.293, 0.00315525/step, 4.27238 hours remaining, 231.312500 MB of memory in use. ENERGY: 125400 3972.1245 20447.1905 14363.1819 255.2594 -203274.1988 2717.7153 0.0000 0.0000 51985.9387 -109532.7886 298.7639 -161518.7272 -109151.8941 298.9252 -130.1720 -104.0609 763917.2847 2.7470 2.7848 PRESSURE: 125600 18.4782 -79.0235 147.555 -79.0242 35.8011 12.7446 147.554 12.7448 301.727 GPRESSURE: 125600 36.5331 -99.8674 222.702 -94.5229 52.4876 -59.6227 50.0361 44.3877 331.723 PRESSAVG: 125600 9.02543 21.5889 -16.5962 21.5889 11.2071 -28.9848 -16.5962 -28.9847 9.99807 GPRESSAVG: 125600 8.61184 21.0026 -16.0353 18.8833 11.0832 -29.5694 -15.668 -29.6213 10.232 TIMING: 125600 CPU: 395.922, 0.00314215/step Wall: 395.922, 0.00314215/step, 4.25448 hours remaining, 231.312500 MB of memory in use. ENERGY: 125600 3958.9952 20520.0280 14382.1581 249.3165 -203345.8843 2678.1312 0.0000 0.0000 52153.6914 -109403.5638 299.7280 -161557.2553 -109040.1599 298.9960 118.6688 140.2479 763460.2786 10.0769 9.9757 PRESSURE: 125800 61.004 49.6135 -148.722 49.6133 -98.1046 -290.64 -148.722 -290.64 198.25 GPRESSURE: 125800 22.5751 1.77585 -118.85 79.1977 -19.3939 -276.448 -136.844 -210.042 240.277 PRESSAVG: 125800 -59.9739 31.9414 -10.0752 31.9413 6.60425 -17.4037 -10.0752 -17.4036 -3.75849 GPRESSAVG: 125800 -60.4698 31.339 -9.43966 32.9647 7.04404 -16.6603 -10.2316 -17.8305 -3.8325 TIMING: 125800 CPU: 396.55, 0.00314451/step Wall: 396.55, 0.0031445/step, 4.25749 hours remaining, 231.312500 MB of memory in use. ENERGY: 125800 3957.2564 20445.1882 14385.6532 231.4636 -203082.2007 2515.3265 0.0000 0.0000 52036.7646 -109510.5482 299.0560 -161547.3128 -109144.7419 298.5154 53.7165 81.1528 762890.2189 -19.0427 -19.0861 PRESSURE: 126000 -315.162 2.59682 91.0948 2.59682 -480.605 -127.852 91.0954 -127.852 -46.0174 GPRESSURE: 126000 -335.806 43.2314 61.5463 -29.5415 -388.447 -205.644 192.152 -36.344 -31.8498 PRESSAVG: 126000 19.0754 -3.60458 -41.1792 -3.60455 14.1374 17.0961 -41.1792 17.0962 17.3154 GPRESSAVG: 126000 18.9988 -2.44487 -42.5565 -4.33962 12.9178 17.4357 -41.8066 17.0178 18.2528 TIMING: 126000 CPU: 397.187, 0.00318386/step Wall: 397.187, 0.00318386/step, 4.31059 hours remaining, 231.312500 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: 126000 4014.8706 20630.5467 14356.0366 249.5342 -203070.3301 2727.8480 0.0000 0.0000 51739.0747 -109352.4193 297.3452 -161091.4940 -109002.0783 298.6591 -280.5947 -252.0340 762639.9615 16.8427 16.7231 PRESSURE: 126200 2.95862 1.54831 127.561 1.54773 463.027 -116.514 127.56 -116.513 -68.2399 GPRESSURE: 126200 133.717 -92.015 170.965 -11.216 404.724 -104.026 346.345 -23.5159 -49.4266 PRESSAVG: 126200 -23.252 -47.4373 28.1588 -47.4374 17.8732 -5.13823 28.1588 -5.13826 0.24534 GPRESSAVG: 126200 -22.5971 -48.5645 29.7342 -46.4068 19.1617 -3.17457 29.7248 -6.62192 -0.706089 TIMING: 126200 CPU: 397.82, 0.00316491/step Wall: 397.82, 0.00316491/step, 4.28476 hours remaining, 231.312500 MB of memory in use. ENERGY: 126200 3969.9169 20539.4344 14472.9026 240.7089 -203423.0845 2911.3079 0.0000 0.0000 52107.9050 -109180.9089 299.4648 -161288.8139 -108818.3702 299.0987 132.5819 163.0046 761672.1930 -1.7111 -1.3805 PRESSURE: 126400 -69.3201 -0.976234 24.181 -0.976902 -362.473 -17.714 24.1812 -17.7154 150.639 GPRESSURE: 126400 -12.856 -74.6102 73.2648 28.315 -322.069 -36.0824 -26.0962 23.1494 159.837 PRESSAVG: 126400 -59.2942 -28.502 38.5657 -28.502 56.1955 -41.7552 38.5656 -41.7551 25.1294 GPRESSAVG: 126400 -59.5409 -29.1841 36.7543 -27.2226 56.5944 -42.3486 37.1384 -38.8334 24.925 TIMING: 126400 CPU: 398.456, 0.00317716/step Wall: 398.456, 0.00317716/step, 4.30117 hours remaining, 231.312500 MB of memory in use. ENERGY: 126400 4006.5742 20436.1982 14502.7865 251.9510 -203051.4919 2723.8221 0.0000 0.0000 52082.6581 -109047.5018 299.3198 -161130.1599 -108688.8388 299.6449 -93.7181 -58.3626 763375.7536 7.3436 7.3261 PRESSURE: 126600 41.3953 -142.842 -23.1585 -142.843 21.0828 -228.985 -23.1586 -228.984 258.736 GPRESSURE: 126600 160.516 -180.158 2.91375 -38.5587 39.9375 -189.581 -46.4064 -170.598 217.507 PRESSAVG: 126600 0.99739 -50.3194 16.164 -50.3194 8.98989 -2.30895 16.164 -2.309 0.0197497 GPRESSAVG: 126600 2.05322 -49.3743 16.1721 -51.3773 7.68247 -2.40732 17.3356 -3.07043 0.299444 TIMING: 126600 CPU: 399.088, 0.00316094/step Wall: 399.088, 0.00316094/step, 4.27903 hours remaining, 231.312500 MB of memory in use. ENERGY: 126600 4024.0415 20346.4267 14544.2469 249.1260 -203302.4492 2880.4706 0.0000 0.0000 52104.5185 -109153.6191 299.4454 -161258.1376 -108789.6503 299.0706 107.0714 139.3201 760931.9737 3.3357 3.3450 PRESSURE: 126800 221.38 -146.143 7.9652 -146.142 -114.759 -78.1315 7.96461 -78.1319 -128.075 GPRESSURE: 126800 244.005 -176.277 30.912 -119.486 -32.1611 -92.1419 -115.592 -61.4434 -147.54 PRESSAVG: 126800 2.74804 -9.23996 -1.11568 -9.23992 -11.755 -17.0398 -1.11581 -17.0399 -17.1287 GPRESSAVG: 126800 1.88543 -8.297 -2.31118 -9.98551 -11.3833 -17.0197 -3.36739 -17.3794 -16.9178 TIMING: 126800 CPU: 399.722, 0.00317053/step Wall: 399.722, 0.00317053/step, 4.29184 hours remaining, 231.312500 MB of memory in use. ENERGY: 126800 4011.9091 20582.9963 14495.2640 272.9358 -202901.8710 2378.8161 0.0000 0.0000 51901.7565 -109258.1931 298.2801 -161159.9496 -108901.2851 299.1990 -7.1515 21.4346 761672.7078 -8.7119 -8.8052 PRESSURE: 127000 -164.135 -65.063 14.4193 -65.0631 26.8732 127.341 14.4185 127.341 156.31 GPRESSURE: 127000 -125.933 34.5884 71.4613 46.2905 94.0315 109.463 118.664 -5.56339 128.953 PRESSAVG: 127000 42.116 -18.7543 12.5126 -18.7542 -54.8727 -44.3834 12.5126 -44.3834 22.706 GPRESSAVG: 127000 41.2544 -18.6985 15.1868 -18.9329 -53.6907 -43.5845 14.6088 -46.8585 22.1887 TIMING: 127000 CPU: 400.355, 0.00316603/step Wall: 400.355, 0.00316603/step, 4.28558 hours remaining, 231.312500 MB of memory in use. ENERGY: 127000 3888.0993 20486.3655 14434.4701 255.5718 -203217.3900 2600.0694 0.0000 0.0000 52158.1069 -109394.7070 299.7534 -161552.8139 -109020.0209 298.9349 6.3493 32.3505 763163.8581 3.3164 3.2508 PRESSURE: 127200 413.72 112.565 -187.931 112.565 -143.196 97.3274 -187.931 97.3284 5.25318 GPRESSURE: 127200 372.067 71.5317 -176.502 146.489 -42.1985 169.374 -186.942 81.7366 37.8565 PRESSAVG: 127200 22.7857 -38.096 -17.5329 -38.096 -34.249 -0.790253 -17.5329 -0.790307 11.3306 GPRESSAVG: 127200 23.1405 -38.1424 -18.3594 -37.4438 -34.7982 -1.51563 -19.2677 -1.1725 11.4666 TIMING: 127200 CPU: 400.993, 0.00318861/step Wall: 400.993, 0.00318861/step, 4.31596 hours remaining, 231.312500 MB of memory in use. ENERGY: 127200 4099.5391 20527.5560 14422.7054 249.3378 -203495.6115 2923.7999 0.0000 0.0000 51907.9147 -109364.7587 298.3155 -161272.6734 -109007.8131 298.8315 91.9259 122.5749 762468.5302 -0.0442 -0.0637 PRESSURE: 127400 -633.92 89.7635 9.61279 89.7637 -181.529 48.208 9.61312 48.2084 -370.648 GPRESSURE: 127400 -584.331 17.0379 -26.7073 115.839 -225.495 -23.2797 -128.391 82.7234 -303.704 PRESSAVG: 127400 30.9592 9.04491 -3.27749 9.04489 -16.3632 26.8509 -3.27751 26.8509 -9.04555 GPRESSAVG: 127400 31.3912 7.72616 -3.79967 9.64163 -16.2973 25.5617 -2.33712 28.2911 -9.06741 TIMING: 127400 CPU: 401.625, 0.00315971/step Wall: 401.625, 0.00315971/step, 4.27666 hours remaining, 231.312500 MB of memory in use. ENERGY: 127400 3999.6484 20603.5780 14387.3927 246.5734 -203139.3605 2449.9351 0.0000 0.0000 52108.6048 -109343.6281 299.4689 -161452.2329 -108982.6922 298.8659 -395.3656 -371.1766 763475.6374 1.8502 2.0088 PRESSURE: 127600 -501.627 -56.762 -2.61023 -56.7622 -286.323 142.618 -2.61114 142.619 -431.162 GPRESSURE: 127600 -471.648 -105.727 132.609 -58.3732 -223.483 226.884 61.4008 96.8856 -430.202 PRESSAVG: 127600 -5.16076 -47.6763 -8.39188 -47.6763 18.6415 -29.3436 -8.39193 -29.3435 20.6906 GPRESSAVG: 127600 -5.7226 -48.2365 -8.16717 -47.8523 18.0431 -28.1879 -8.52852 -30.7226 22.1615 TIMING: 127600 CPU: 402.255, 0.00314912/step Wall: 402.255, 0.00314912/step, 4.26215 hours remaining, 231.312500 MB of memory in use. ENERGY: 127600 4023.2277 20405.5690 14409.9326 270.0728 -202719.2438 2478.8346 0.0000 0.0000 51947.9430 -109183.6641 298.5455 -161131.6071 -108817.3601 299.3693 -406.3708 -375.1109 763384.7398 11.3905 11.4940 PRESSURE: 127800 -143.967 235.41 -189.495 235.412 17.3151 -17.7673 -189.495 -17.7684 -83.3025 GPRESSURE: 127800 -182.448 144.383 -210.267 105.227 20.5741 -115.838 -273.118 -13.09 34.9219 PRESSAVG: 127800 -45.7779 1.4122 34.1624 1.41219 -0.274105 51.3515 34.1625 51.3515 -14.9923 GPRESSAVG: 127800 -46.333 1.45494 32.4336 0.767539 1.14686 49.934 33.112 51.9338 -16.6152 TIMING: 127800 CPU: 402.887, 0.00316385/step Wall: 402.887, 0.00316385/step, 4.28193 hours remaining, 231.312500 MB of memory in use. ENERGY: 127800 4034.2734 20740.4391 14418.8252 230.3426 -203102.9231 2538.4790 0.0000 0.0000 51983.5787 -109156.9852 298.7503 -161140.5639 -108793.7860 299.3764 -69.9847 -42.3174 762431.7272 -20.3481 -20.6005 PRESSURE: 128000 -63.0177 64.8944 -153.812 64.8939 -11.3791 113.574 -153.812 113.575 -618.45 GPRESSURE: 128000 -39.7884 147.67 -158.251 79.2015 18.8924 61.4449 -82.8812 149.822 -599.377 PRESSAVG: 128000 -40.9577 13.333 38.8712 13.3331 49.5368 -24.1393 38.8712 -24.1392 7.2426 GPRESSAVG: 128000 -41.5046 12.1822 39.6215 11.4347 49.2991 -23.1961 41.0872 -21.0412 8.3348 TIMING: 128000 CPU: 403.521, 0.00316965/step Wall: 403.521, 0.00316965/step, 4.2896 hours remaining, 231.312500 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: 128000 3915.4991 20716.4751 14468.0707 232.8383 -203214.0043 2557.8474 0.0000 0.0000 52394.6125 -108928.6613 301.1126 -161323.2738 -108566.7624 300.0669 -230.9489 -206.7577 760981.3997 5.2739 5.3764 PRESSURE: 128200 -23.3688 20.7492 -19.4571 20.7484 -222.568 206.591 -19.456 206.591 -166.582 GPRESSURE: 128200 39.7323 92.2146 -108.651 -59.2548 -117.553 222.385 -37.6371 238.918 -257.878 PRESSAVG: 128200 61.5268 -28.5136 -53.3121 -28.5136 -31.431 48.6355 -53.312 48.6354 26.8684 GPRESSAVG: 128200 63.3827 -26.0967 -51.7534 -24.8754 -31.5917 48.7958 -53.1652 45.0599 25.0483 TIMING: 128200 CPU: 404.151, 0.00314632/step Wall: 404.151, 0.00314632/step, 4.25784 hours remaining, 231.312500 MB of memory in use. ENERGY: 128200 4129.3227 20532.8017 14456.2087 244.1013 -203001.0044 2488.4244 0.0000 0.0000 52117.8458 -109032.2999 299.5220 -161150.1457 -108669.9967 299.8539 -137.5060 -111.8998 762048.5199 18.9881 18.9464 LDB: ============= START OF LOAD BALANCING ============== 416.684 LDB: ============== END OF LOAD BALANCING =============== 416.685 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 416.686 LDB: ============= START OF LOAD BALANCING ============== 417.006 LDB: Largest compute 7060 load 0.031703 is 16.3% of average load 0.194947 LDB: Average compute 0.004366 is 2.2% of average load 0.194947 LDB: TIME 417.009 LOAD: AVG 0.194947 MAX 0.213681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.516 MB LDB: TIME 417.01 LOAD: AVG 0.194947 MAX 0.213681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.609 MB LDB: TIME 417.01 LOAD: AVG 0.194947 MAX 0.213681 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.609 MB LDB: ============== END OF LOAD BALANCING =============== 417.012 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 417.017 PRESSURE: 128400 69.1031 -11.2447 -144.071 -11.2449 288.064 56.9536 -144.071 56.9539 103.923 GPRESSURE: 128400 167.338 -109.393 -179.383 -113.218 321.562 26.4861 -186.701 34.0838 58.975 PRESSAVG: 128400 45.4124 35.1937 -9.91389 35.1937 -86.9944 -34.4303 -9.91386 -34.4302 -3.80591 GPRESSAVG: 128400 45.8129 33.1257 -10.8295 33.7663 -87.9626 -34.2731 -11.3296 -33.6627 -3.67908 TIMING: 128400 CPU: 404.8, 0.0032464/step Wall: 404.8, 0.0032464/step, 4.39311 hours remaining, 233.105469 MB of memory in use. ENERGY: 128400 4014.7860 20613.7420 14397.6612 234.6908 -203692.7833 3051.8946 0.0000 0.0000 52166.6949 -109213.3139 299.8027 -161380.0088 -108862.8198 299.2755 153.6967 182.6249 762970.6001 -15.1293 -15.2763 PRESSURE: 128600 185.884 197.772 -52.8924 197.772 -413.928 355.175 -52.8921 355.175 158.886 GPRESSURE: 128600 66.7538 126.092 -103.509 195.213 -248.565 227.333 -116.886 323.508 210.656 PRESSAVG: 128600 67.1198 57.4921 12.9517 57.492 -46.6945 11.0898 12.9517 11.0899 -8.46976 GPRESSAVG: 128600 66.4193 57.9477 12.8677 59.8369 -46.6145 10.685 13.5243 12.2168 -8.82289 TIMING: 128600 CPU: 405.434, 0.00317004/step Wall: 405.434, 0.00317004/step, 4.28959 hours remaining, 233.308594 MB of memory in use. ENERGY: 128600 3994.6706 20597.4426 14494.8479 252.3229 -203254.1722 2691.6761 0.0000 0.0000 52037.5522 -109185.6599 299.0605 -161223.2121 -108824.6351 299.5341 -23.0524 9.6148 760687.4447 3.9852 3.6606 PRESSURE: 128800 86.3535 -112.09 -110.767 -112.09 -69.2216 150.922 -110.767 150.921 32.389 GPRESSURE: 128800 84.0893 -54.7176 -56.9102 -242.544 -40.0671 163.982 -139.64 160.297 87.5433 PRESSAVG: 128800 48.0535 -39.4484 15.7922 -39.4485 -63.4585 -21.0162 15.7923 -21.0163 3.26748 GPRESSAVG: 128800 47.0999 -39.6227 15.9776 -42.1038 -63.2678 -20.8683 14.696 -21.5968 3.83123 TIMING: 128800 CPU: 406.074, 0.00320254/step Wall: 406.074, 0.00320254/step, 4.3334 hours remaining, 233.308594 MB of memory in use. ENERGY: 128800 4047.1425 20451.7522 14463.6029 249.0528 -203330.4710 2675.6263 0.0000 0.0000 52445.7145 -108997.5798 301.4062 -161443.2943 -108630.1733 299.7538 16.5070 43.8552 760754.8058 -4.0459 -4.1122 PRESSURE: 129000 27.9472 -113.855 328.782 -113.855 267.296 -38.3653 328.782 -38.3655 -154.612 GPRESSURE: 129000 16.9267 -55.674 318.713 -111.078 437.812 31.7355 383.496 -82.7559 -263.617 PRESSAVG: 129000 69.7825 -1.45884 22.0336 -1.45883 -34.2999 0.353189 22.0336 0.353265 14.3972 GPRESSAVG: 129000 71.5208 0.808323 22.2559 -1.3239 -34.3636 1.26546 24.643 0.492368 12.3165 TIMING: 129000 CPU: 406.712, 0.00318683/step Wall: 406.712, 0.00318683/step, 4.31196 hours remaining, 233.308594 MB of memory in use. ENERGY: 129000 3981.5551 20509.6439 14497.8451 237.6791 -203071.5187 2582.9451 0.0000 0.0000 52125.2078 -109136.6426 299.5643 -161261.8504 -108763.0252 299.9585 46.8772 63.7073 760798.8411 16.6266 16.4912 PRESSURE: 129200 166.889 -66.7449 62.9395 -66.7447 123.534 -75.5788 62.9382 -75.5803 332.143 GPRESSURE: 129200 195.004 -11.7074 112.684 -37.0492 126.516 -73.8778 32.3006 -114.673 377.672 PRESSAVG: 129200 21.7471 11.7139 58.7671 11.7139 -17.4085 54.2956 58.767 54.2955 -6.65685 GPRESSAVG: 129200 19.5115 9.70935 58.9634 10.8746 -16.4846 54.0194 57.2637 53.6505 -5.47351 TIMING: 129200 CPU: 407.343, 0.00315534/step Wall: 407.343, 0.00315534/step, 4.26918 hours remaining, 233.308594 MB of memory in use. ENERGY: 129200 4057.6239 20711.6952 14486.8843 248.3442 -203628.1857 2927.7426 0.0000 0.0000 52000.4565 -109195.4389 298.8473 -161195.8954 -108848.6387 299.6490 207.5219 233.0640 761173.6125 -0.7727 -0.8156 PRESSURE: 129400 167.691 -79.0808 424.843 -79.0807 283.623 158.452 424.843 158.452 -194.491 GPRESSURE: 129400 331.495 -137.842 378.063 -84.8184 176.079 150.912 399.848 14.1496 -174.547 PRESSAVG: 129400 1.15044 34.6428 61.0491 34.6427 55.6296 -2.29055 61.0491 -2.29058 -7.22223 GPRESSAVG: 129400 2.76354 35.6345 59.8552 35.6871 53.3887 -1.86733 60.7178 -3.27431 -6.57795 TIMING: 129400 CPU: 407.979, 0.0031788/step Wall: 407.979, 0.0031788/step, 4.30074 hours remaining, 233.308594 MB of memory in use. ENERGY: 129400 4020.0438 20626.7104 14514.8580 238.1229 -203268.6882 2558.6189 0.0000 0.0000 52172.3027 -109138.0315 299.8349 -161310.3342 -108769.3484 299.5516 85.6076 111.0092 760896.7549 16.5193 16.5248 PRESSURE: 129600 40.2607 -6.92953 -10.9426 -6.93022 -130.134 -96.489 -10.9423 -96.489 -267.987 GPRESSURE: 129600 89.814 62.2832 -20.8482 78.4534 -53.9491 -90.8671 -0.716028 -213.415 -309.463 PRESSAVG: 129600 -7.76973 59.5851 10.9759 59.5851 0.260587 -6.15672 10.9759 -6.15662 -5.29539 GPRESSAVG: 129600 -7.31762 58.353 10.7711 61.0952 0.274994 -4.81842 9.86738 -4.63416 -5.46417 TIMING: 129600 CPU: 408.613, 0.00317242/step Wall: 408.613, 0.00317243/step, 4.29194 hours remaining, 233.308594 MB of memory in use. ENERGY: 129600 3937.3190 20509.2921 14381.6315 245.9388 -203227.2266 2536.9245 0.0000 0.0000 52349.1752 -109266.9454 300.8514 -161616.1206 -108906.2156 300.0325 -119.2866 -91.1994 761858.6773 -4.2682 -4.1689 PRESSURE: 129800 -8.68446 -45.4328 100.767 -45.4328 22.2383 26.23 100.768 26.23 125.523 GPRESSURE: 129800 -24.3213 -110.773 125.512 -98.2569 46.3614 56.5405 122.129 64.5315 187.149 PRESSAVG: 129800 61.6779 49.8906 26.4057 49.8906 -34.448 -23.4265 26.4057 -23.4265 6.07869 GPRESSAVG: 129800 60.2239 50.6091 25.8572 48.4021 -32.513 -24.9603 26.6333 -21.9731 5.47644 TIMING: 129800 CPU: 409.246, 0.00316689/step Wall: 409.246, 0.00316689/step, 4.28427 hours remaining, 233.308594 MB of memory in use. ENERGY: 129800 4011.7644 20445.5318 14443.3931 236.9825 -203429.3181 2663.6377 0.0000 0.0000 52120.9719 -109507.0368 299.5399 -161628.0087 -109141.0665 299.0726 46.3590 69.7297 761448.2282 11.1028 11.0625 PRESSURE: 130000 -277.949 -25.6642 290.608 -25.6653 -338.682 -115.451 290.607 -115.452 133.766 GPRESSURE: 130000 -180.818 -59.229 310.005 -48.4944 -257.508 -102.256 339.022 -55.7459 20.372 PRESSAVG: 130000 17.6153 19.5368 4.18703 19.5367 -17.0871 -26.2538 4.18708 -26.2538 16.6773 GPRESSAVG: 130000 17.9653 17.088 6.78798 20.784 -17.1841 -26.5391 2.62943 -29.2866 15.9785 TIMING: 130000 CPU: 409.877, 0.00315414/step Wall: 409.877, 0.00315414/step, 4.26685 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: 130000 3981.1462 20630.9520 14488.7367 248.6274 -202791.2889 2228.6801 0.0000 0.0000 51946.6638 -109266.4827 298.5382 -161213.1465 -108906.8167 299.4583 -160.9550 -139.3182 762055.6757 5.7352 5.5866 PRESSURE: 130200 -108.662 124.603 94.9617 124.603 -261.506 123.934 94.9609 123.933 272.116 GPRESSURE: 130200 -119.662 95.6891 140.508 60.5138 -195.716 103.202 65.7541 8.52874 293.924 PRESSAVG: 130200 6.12869 -1.16599 -23.6415 -1.16601 -30.257 -8.85692 -23.6416 -8.85693 8.77856 GPRESSAVG: 130200 6.17793 0.67075 -24.1551 -2.33097 -30.6605 -8.79275 -22.9817 -5.99335 9.39548 TIMING: 130200 CPU: 410.513, 0.00317745/step Wall: 410.513, 0.00317745/step, 4.29821 hours remaining, 233.308594 MB of memory in use. ENERGY: 130200 4072.6581 20622.4699 14484.7642 260.7796 -202984.8461 2288.7895 0.0000 0.0000 51933.3717 -109322.0130 298.4618 -161255.3848 -108957.0359 299.6438 -32.6839 -7.1513 761153.5169 -5.1166 -5.0290 PRESSURE: 130400 -81.5394 36.1489 -226.084 36.1485 -164.146 32.3063 -226.084 32.3066 16.3343 GPRESSURE: 130400 12.2032 -49.4453 -194.975 52.4282 -183.764 -41.7799 -173.436 39.5549 21.5234 PRESSAVG: 130400 -40.5993 -15.9566 -17.3609 -15.9566 34.0072 6.34916 -17.3608 6.34928 -9.62732 GPRESSAVG: 130400 -40.8063 -15.7273 -16.9021 -14.8353 34.24 5.57679 -19.0172 6.5939 -9.32732 TIMING: 130400 CPU: 411.147, 0.00317195/step Wall: 411.147, 0.00317195/step, 4.29059 hours remaining, 233.308594 MB of memory in use. ENERGY: 130400 3926.6727 20545.7935 14475.5993 238.2887 -203033.7806 2404.5856 0.0000 0.0000 51911.1207 -109531.7201 298.3339 -161442.8408 -109182.5792 299.3475 -76.4505 -50.0124 761202.1580 -5.4065 -5.2979 PRESSURE: 130600 82.5705 -84.6906 -52.4824 -84.6914 171.546 78.0519 -52.4811 78.0529 -185.547 GPRESSURE: 130600 155.434 -115.426 -26.9657 -24.3175 184.331 38.2242 0.704639 191.434 -185.309 PRESSAVG: 130600 -46.4631 -6.14025 -20.0543 -6.14019 -2.69704 -17.2236 -20.0542 -17.2236 2.46376 GPRESSAVG: 130600 -45.7811 -5.04652 -21.024 -5.17289 -3.00175 -14.6751 -18.1791 -17.5251 1.59595 TIMING: 130600 CPU: 411.782, 0.00317447/step Wall: 411.782, 0.00317447/step, 4.29382 hours remaining, 233.308594 MB of memory in use. ENERGY: 130600 3954.6362 20407.5775 14489.7257 240.6716 -203184.0536 2462.8430 0.0000 0.0000 51980.3818 -109648.2179 298.7320 -161628.5997 -109279.4013 298.4322 22.8564 51.4852 761565.3823 -15.5655 -15.7290 PRESSURE: 130800 218.832 101.349 327.616 101.35 75.1907 -132.302 327.617 -132.302 246.53 GPRESSURE: 130800 259.272 90.2441 282.439 177.087 107.783 -58.0709 255.955 -184.374 267.299 PRESSAVG: 130800 2.82164 30.3042 21.4402 30.3042 -18.6665 15.9721 21.4403 15.9721 9.44997 GPRESSAVG: 130800 3.46091 29.5289 22.1558 30.1421 -19.0332 14.4154 20.8375 16.4263 8.95986 TIMING: 130800 CPU: 412.418, 0.00317932/step Wall: 412.418, 0.00317931/step, 4.3002 hours remaining, 233.308594 MB of memory in use. ENERGY: 130800 3885.6133 20445.1924 14427.7780 236.6378 -203508.2697 2863.2313 0.0000 0.0000 51989.1930 -109660.6239 298.7826 -161649.8169 -109303.4603 298.7569 180.1844 211.4513 763117.4861 -2.1316 -2.2041 PRESSURE: 131000 69.935 -18.8406 -2.29732 -18.841 408.771 96.9878 -2.29742 96.9876 -30.5298 GPRESSURE: 131000 73.3381 17.3943 -68.0549 13.7526 360.048 53.8381 -49.3738 127.77 108.008 PRESSAVG: 131000 27.6256 31.0243 -10.924 31.0243 -4.59919 36.4361 -10.924 36.4361 0.0862875 GPRESSAVG: 131000 27.4808 29.469 -10.4571 30.5619 -6.07137 36.1928 -9.49798 34.2911 2.27145 TIMING: 131000 CPU: 413.054, 0.00318141/step Wall: 413.054, 0.00318141/step, 4.30286 hours remaining, 233.308594 MB of memory in use. ENERGY: 131000 3945.8465 20688.5166 14416.5403 247.8005 -203286.2321 2843.1106 0.0000 0.0000 51587.4560 -109556.9616 296.4738 -161144.4176 -109202.1127 298.3243 149.3920 180.4649 762333.6471 7.7042 7.8936 PRESSURE: 131200 -72.0266 64.4562 171.563 64.4555 -51.4659 125.652 171.563 125.654 232.561 GPRESSURE: 131200 -80.8331 79.6853 189.685 107.008 66.106 43.6289 162.838 259.171 191.742 PRESSAVG: 131200 55.0795 6.92017 30.0286 6.92018 -69.7906 -6.84474 30.0286 -6.84474 0.668893 GPRESSAVG: 131200 53.9901 7.17601 29.297 6.12199 -68.0078 -6.74725 29.1432 -5.31911 -0.0212923 TIMING: 131200 CPU: 413.693, 0.00319263/step Wall: 413.693, 0.00319263/step, 4.31785 hours remaining, 233.308594 MB of memory in use. ENERGY: 131200 4009.9256 20625.8081 14425.3970 239.2751 -203192.1794 2769.8656 0.0000 0.0000 51824.5003 -109297.4076 297.8361 -161121.9080 -108942.3323 298.3574 36.3563 59.0048 764147.6095 -4.6807 -4.6796 PRESSURE: 131400 -4.67906 -78.8944 -0.64971 -78.8948 132.987 -150.072 -0.649817 -150.073 -120.175 GPRESSURE: 131400 46.6933 -151.134 -31.6275 82.7777 162.174 -123.698 82.7334 -83.664 -97.6333 PRESSAVG: 131400 2.53957 6.21684 -4.73643 6.21681 -11.3128 33.7266 -4.73645 33.7265 6.99356 GPRESSAVG: 131400 3.91924 7.78988 -6.75172 7.84909 -12.4101 33.8605 -5.75059 32.0989 6.88521 TIMING: 131400 CPU: 414.325, 0.00316316/step Wall: 414.325, 0.00316316/step, 4.27782 hours remaining, 233.308594 MB of memory in use. ENERGY: 131400 4039.6386 20563.6904 14474.0816 255.1629 -203124.0203 2734.4966 0.0000 0.0000 51916.9269 -109140.0231 298.3673 -161056.9501 -108774.1873 299.0776 2.7111 37.0779 763650.5840 -0.5932 -0.5352 PRESSURE: 131600 -26.8148 234.453 -186.075 234.452 -125.825 -45.1341 -186.073 -45.1338 4.54987 GPRESSURE: 131600 -77.3562 76.0312 -203.835 122.352 -19.3678 -112.386 -193.121 32.4411 29.6598 PRESSAVG: 131600 -15.5755 10.1523 -87.2939 10.1523 -7.27277 17.7158 -87.294 17.7158 -7.56189 GPRESSAVG: 131600 -16.0691 10.2221 -86.922 9.11748 -7.19738 16.5982 -84.6678 20.0163 -6.86755 TIMING: 131600 CPU: 414.964, 0.00319558/step Wall: 414.964, 0.00319558/step, 4.32149 hours remaining, 233.308594 MB of memory in use. ENERGY: 131600 3951.4678 20505.3867 14473.3574 264.3624 -203093.5701 2562.0174 0.0000 0.0000 52172.9885 -109163.9900 299.8389 -161336.9785 -108804.3574 299.1321 -49.3634 -22.3548 763071.4809 -10.1367 -10.0447 PRESSURE: 131800 133.585 11.9464 199.592 11.9462 -139.236 367.284 199.591 367.283 -346.114 GPRESSURE: 131800 167.621 -36.842 190.387 -32.3621 -75.369 390.071 153.102 351.948 -352.687 PRESSAVG: 131800 -25.0477 20.5254 -10.6742 20.5254 18.4219 68.6012 -10.6741 68.6011 -8.69907 GPRESSAVG: 131800 -24.3182 21.1822 -8.48199 20.0528 19.1843 70.5066 -10.5934 65.0084 -9.84364 TIMING: 131800 CPU: 415.599, 0.00317074/step Wall: 415.599, 0.00317074/step, 4.28772 hours remaining, 233.308594 MB of memory in use. ENERGY: 131800 3965.2819 20451.2082 14499.2959 231.4625 -202862.8190 2453.3615 0.0000 0.0000 52268.6245 -108993.5845 300.3885 -161262.2090 -108630.0682 299.7792 -117.2549 -86.8117 763399.7326 -5.1083 -4.9925 PRESSURE: 132000 -171.375 85.9317 -123.636 85.9314 77.2401 -5.43092 -123.637 -5.43039 -106.752 GPRESSURE: 132000 -39.75 -1.04452 -117.453 38.7051 -21.8391 -49.4146 -34.4996 15.9675 -61.7748 PRESSAVG: 132000 -26.195 30.9253 5.02062 30.9253 26.5653 31.7297 5.02059 31.7298 2.04984 GPRESSAVG: 132000 -26.6271 30.2993 3.78825 31.5494 26.8502 30.8641 3.13674 33.974 2.19449 TIMING: 132000 CPU: 416.234, 0.00317514/step Wall: 416.234, 0.00317514/step, 4.29349 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: 132000 4048.9410 20601.7940 14460.2242 243.8170 -202739.1376 2402.9438 0.0000 0.0000 52095.2560 -108886.1616 299.3922 -160981.4177 -108525.9645 299.4113 -66.9623 -41.1213 763129.5518 0.8067 0.8059 PRESSURE: 132200 15.0743 -210.207 -13.7551 -210.207 112.333 170.644 -13.7555 170.643 39.9589 GPRESSURE: 132200 1.66693 -268.004 -0.676466 -182.195 165.966 262.915 -75.5853 220.256 71.7774 PRESSAVG: 132200 -21.2625 33.1149 18.1444 33.1149 31.462 3.15261 18.1445 3.15259 32.5268 GPRESSAVG: 132200 -21.5337 31.3819 19.3361 30.8062 31.853 3.69869 18.8259 2.99484 32.3712 TIMING: 132200 CPU: 416.866, 0.00316085/step Wall: 416.866, 0.00316085/step, 4.274 hours remaining, 233.308594 MB of memory in use. ENERGY: 132200 3993.0668 20551.2356 14410.4672 263.7506 -203253.0262 2725.0186 0.0000 0.0000 52374.1579 -108935.3296 300.9950 -161309.4875 -108563.8553 300.1353 55.7888 79.8033 762513.4005 14.2421 14.2302 LDB: ============= START OF LOAD BALANCING ============== 429.397 LDB: ============== END OF LOAD BALANCING =============== 429.398 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 429.399 LDB: ============= START OF LOAD BALANCING ============== 429.714 LDB: Largest compute 7060 load 0.031557 is 16.2% of average load 0.195045 LDB: Average compute 0.004373 is 2.2% of average load 0.195045 LDB: TIME 429.718 LOAD: AVG 0.195045 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.664 MB LDB: TIME 429.718 LOAD: AVG 0.195045 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: TIME 429.718 LOAD: AVG 0.195045 MAX 0.216058 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: ============== END OF LOAD BALANCING =============== 429.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 429.725 PRESSURE: 132400 242.563 87.9207 -71.16 87.9201 98.8491 -157.143 -71.1594 -157.143 136.854 GPRESSURE: 132400 246.939 167.415 -147.083 146.768 205.787 -169.978 -69.35 -254.833 108.069 PRESSAVG: 132400 -0.902343 38.4081 -34.5461 38.4082 0.724185 15.0859 -34.546 15.0859 9.43659 GPRESSAVG: 132400 -0.012533 40.8446 -34.4555 39.5048 1.3011 15.2476 -35.5316 14.7926 7.90462 TIMING: 132400 CPU: 417.508, 0.00321077/step Wall: 417.508, 0.00321077/step, 4.34132 hours remaining, 232.082031 MB of memory in use. ENERGY: 132400 3966.0550 20684.3995 14563.7205 261.0159 -203487.0575 3097.4556 0.0000 0.0000 52190.9671 -108723.4439 299.9422 -160914.4109 -108357.1096 300.4236 159.4222 186.9314 760193.4923 3.0861 3.0644 PRESSURE: 132600 239.193 187.342 249.603 187.344 -137.537 85.6245 249.603 85.6254 117.845 GPRESSURE: 132600 276.339 140.225 320.083 270.37 -103.835 23.557 222.105 92.0375 133.741 PRESSAVG: 132600 -31.6961 19.1636 -12.7389 19.1636 23.9613 40.5871 -12.7389 40.5871 10.9015 GPRESSAVG: 132600 -31.9568 17.6674 -12.5659 19.4538 22.1724 39.1467 -12.0482 39.2473 12.6856 TIMING: 132600 CPU: 418.139, 0.00315469/step Wall: 418.139, 0.00315469/step, 4.26531 hours remaining, 232.320312 MB of memory in use. ENERGY: 132600 4020.7130 20558.8259 14447.6961 253.0439 -202990.3132 2693.3806 0.0000 0.0000 52227.0303 -108789.6234 300.1495 -161016.6537 -108442.8233 300.3898 73.1668 102.0817 762010.3352 1.0556 0.9671 PRESSURE: 132800 -338.839 67.9458 -373.224 67.9456 -263.612 104.347 -373.225 104.346 32.1151 GPRESSURE: 132800 -196.521 17.7211 -404.086 -74.5188 -254.66 73.8327 -326.955 130.051 -39.7104 PRESSAVG: 132800 18.1669 -0.403495 -34.9465 -0.403491 2.50339 -24.2117 -34.9464 -24.2117 -16.3629 GPRESSAVG: 132800 18.669 -2.09273 -37.174 -0.339662 2.3417 -24.4246 -33.128 -23.3917 -17.4053 TIMING: 132800 CPU: 418.771, 0.00315838/step Wall: 418.771, 0.00315838/step, 4.27013 hours remaining, 232.519531 MB of memory in use. ENERGY: 132800 3998.0959 20450.2426 14450.5887 245.6234 -203043.2390 2756.4449 0.0000 0.0000 52162.5885 -108979.6549 299.7791 -161142.2434 -108607.1838 299.8112 -190.1121 -163.6304 763617.0503 1.4358 1.2018 PRESSURE: 133000 -538.796 -362.675 -23.8012 -362.676 -12.1686 -94.0443 -23.8016 -94.043 312.148 GPRESSURE: 133000 -465.146 -252.888 -156.135 -335.859 74.3969 -106.163 -72.3312 -147.965 233.532 PRESSAVG: 133000 14.3096 18.3469 -47.7725 18.3469 -18.2224 24.3048 -47.7726 24.3049 22.7851 GPRESSAVG: 133000 12.8723 20.959 -47.5894 18.1685 -16.6476 24.5553 -49.3639 23.7212 23.1799 TIMING: 133000 CPU: 419.395, 0.00312452/step Wall: 419.395, 0.00312452/step, 4.22418 hours remaining, 232.554688 MB of memory in use. ENERGY: 133000 4054.1822 20527.4118 14463.5093 258.0513 -203170.8033 2576.3698 0.0000 0.0000 52101.4699 -109189.8091 299.4279 -161291.2790 -108829.8513 299.4210 -79.6057 -52.4058 763907.8119 6.2907 6.4682 PRESSURE: 133200 -216.097 -102.651 -5.27292 -102.651 -347.125 18.0674 -5.27287 18.0673 -125.697 GPRESSURE: 133200 -151.957 -181.341 25.336 -46.0015 -345.509 5.46626 -55.8567 62.1873 -113.931 PRESSAVG: 133200 13.7656 12.9822 26.3114 12.9822 41.5574 3.12753 26.3114 3.12745 25.1104 GPRESSAVG: 133200 13.6642 12.7742 26.7532 12.9584 42.4853 1.93397 26.9104 2.65101 24.8133 TIMING: 133200 CPU: 420.027, 0.00315774/step Wall: 420.027, 0.00315774/step, 4.26891 hours remaining, 232.632812 MB of memory in use. ENERGY: 133200 3938.6468 20654.2514 14497.0127 249.4002 -202655.5706 2331.6180 0.0000 0.0000 51999.4264 -108985.2152 298.8414 -160984.6416 -108623.5914 299.3898 -229.6397 -203.7993 763818.6245 26.8111 26.9876 PRESSURE: 133400 -290.133 -205.617 -54.4862 -205.617 -365.18 137.698 -54.486 137.699 -60.8331 GPRESSURE: 133400 -228.097 -183.61 6.23388 -208.887 -362.877 158.38 -91.5626 141.089 -45.0349 PRESSAVG: 133400 -12.6374 -29.9152 18.7226 -29.9152 -1.09456 28.7349 18.7226 28.735 -7.80585 GPRESSAVG: 133400 -12.441 -29.3832 20.0021 -30.7673 -1.53976 30.5285 18.271 29.6032 -7.82093 TIMING: 133400 CPU: 420.667, 0.0031986/step Wall: 420.667, 0.0031986/step, 4.32397 hours remaining, 232.632812 MB of memory in use. ENERGY: 133400 4002.2664 20630.9430 14490.8422 256.5568 -203244.8734 2625.4686 0.0000 0.0000 52036.9696 -109201.8267 299.0572 -161238.7963 -108835.7335 299.5271 -238.7155 -212.0031 763450.7557 -7.1793 -7.2672 PRESSURE: 133600 -232.623 79.1463 67.0561 79.1472 150.694 -9.55968 67.0557 -9.55959 7.94683 GPRESSURE: 133600 -138.748 167.825 -0.1552 108.179 171.821 -48.8283 1.00557 16.4803 -42.4429 PRESSAVG: 133600 -22.8159 -14.0409 -26.5232 -14.0409 55.3523 -4.84073 -26.5231 -4.84079 18.0725 GPRESSAVG: 133600 -23.04 -14.1031 -27.6264 -11.6705 54.8478 -5.06359 -26.738 -5.9504 18.4491 TIMING: 133600 CPU: 421.302, 0.00317835/step Wall: 421.302, 0.00317835/step, 4.29643 hours remaining, 232.632812 MB of memory in use. ENERGY: 133600 4042.1124 20471.8602 14493.2754 229.8242 -203049.2176 2756.6691 0.0000 0.0000 51971.5429 -109083.9335 298.6812 -161055.4764 -108709.8837 299.1892 -24.6606 -3.1232 763666.1029 16.8697 16.7523 PRESSURE: 133800 -169.559 -108.134 79.7359 -108.133 87.8826 -72.2078 79.7354 -72.2068 -359.278 GPRESSURE: 133800 -133.278 -9.75514 138.067 -153.903 48.591 -81.1969 142.181 -29.3798 -268.215 PRESSAVG: 133800 -53.3891 9.31615 -51.3691 9.31619 69.8371 14.1997 -51.3691 14.1998 -7.13097 GPRESSAVG: 133800 -52.2249 7.93173 -50.2883 7.67988 69.8635 14.6214 -51.0313 14.8856 -8.07188 TIMING: 133800 CPU: 421.931, 0.00314137/step Wall: 421.931, 0.00314137/step, 4.24626 hours remaining, 232.632812 MB of memory in use. ENERGY: 133800 3990.0348 20585.6047 14525.0250 250.8768 -202958.8347 2826.8847 0.0000 0.0000 51589.9918 -109190.4170 296.4884 -160780.4088 -108835.8343 299.2711 -146.9847 -117.6339 764551.9938 3.1057 3.1889 PRESSURE: 134000 -180.523 32.7097 -105.881 32.71 -69.6086 84.252 -105.881 84.2524 -104.657 GPRESSURE: 134000 -159.074 18.1548 -123.233 28.3516 -53.151 169.656 35.6097 -36.8002 -47.6768 PRESSAVG: 134000 -28.1266 -21.4228 -14.0376 -21.4228 65.6327 32.0317 -14.0377 32.0317 -2.69821 GPRESSAVG: 134000 -29.2732 -22.2472 -15.2284 -20.8571 66.0156 31.9166 -13.2443 31.6326 -1.56536 TIMING: 134000 CPU: 422.559, 0.00314151/step Wall: 422.559, 0.00314151/step, 4.24627 hours remaining, 232.632812 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: 134000 3982.0185 20444.8428 14421.4283 246.6804 -203404.6114 2945.2738 0.0000 0.0000 52042.3604 -109322.0073 299.0882 -161364.3677 -108968.8396 299.0799 -118.2627 -86.6340 763688.4984 11.6026 11.7257 PRESSURE: 134200 261.121 -125.252 -109.15 -125.252 15.1891 269.469 -109.149 269.47 152.459 GPRESSURE: 134200 247.457 -96.3471 -88.599 -51.6305 119.59 279.974 -92.1029 241.771 145.455 PRESSAVG: 134200 -9.93707 -42.2015 -52.1163 -42.2015 1.92137 58.7692 -52.1163 58.7692 -18.7817 GPRESSAVG: 134200 -9.57706 -40.1897 -51.1696 -43.1431 1.60145 58.7197 -51.4812 58.3685 -18.6314 TIMING: 134200 CPU: 423.186, 0.00313399/step Wall: 423.186, 0.00313399/step, 4.23594 hours remaining, 232.632812 MB of memory in use. ENERGY: 134200 3962.5470 20591.9477 14460.7585 262.6156 -203244.3479 2739.4387 0.0000 0.0000 52314.2147 -108912.8257 300.6505 -161227.0403 -108545.1488 299.0187 142.9230 170.8340 765155.6436 -8.9325 -8.8690 PRESSURE: 134400 -120.751 -51.6255 -41.6268 -51.626 175.621 -44.9038 -41.6267 -44.9022 -103.686 GPRESSURE: 134400 -77.3889 29.4455 -68.5638 -13.917 156.286 -49.0599 -108.984 38.4486 -58.2644 PRESSAVG: 134400 -29.3975 -20.2008 -12.3439 -20.2008 9.66447 24.2293 -12.344 24.2294 -15.6716 GPRESSAVG: 134400 -30.2479 -20.7146 -12.9493 -18.4472 10.1482 24.0543 -14.5971 26.1136 -14.7641 TIMING: 134400 CPU: 423.814, 0.00314336/step Wall: 423.814, 0.00314336/step, 4.24843 hours remaining, 232.632812 MB of memory in use. ENERGY: 134400 4010.7964 20485.1398 14432.3774 239.7888 -203195.6228 2902.5637 0.0000 0.0000 52114.3448 -109010.6119 299.5019 -161124.9567 -108645.8436 299.9633 -16.2722 6.8775 765932.4473 -11.8016 -11.6213 PRESSURE: 134600 -375.518 -29.8373 21.1493 -29.8367 -117.158 -148.268 21.1491 -148.268 504.313 GPRESSURE: 134600 -264.728 -113.828 15.4134 -39.6552 -37.1505 -75.9033 112.376 -111.461 427.395 PRESSAVG: 134600 9.11865 1.42165 -26.8105 1.42169 -9.82231 -3.25848 -26.8105 -3.25847 16.1023 GPRESSAVG: 134600 10.9242 0.0097737 -26.2365 1.24333 -10.1491 -4.06554 -26.2256 -3.51011 15.2348 TIMING: 134600 CPU: 424.447, 0.00316269/step Wall: 424.447, 0.00316269/step, 4.27438 hours remaining, 232.632812 MB of memory in use. ENERGY: 134600 3948.7590 20536.1133 14448.0839 242.2235 -202941.8783 2785.3008 0.0000 0.0000 51994.6162 -108986.7815 298.8138 -160981.3977 -108613.9694 299.6961 3.8789 41.8389 765151.6079 5.1329 5.3366 PRESSURE: 134800 344.866 -46.6817 267.926 -46.6811 55.6907 -64.8608 267.927 -64.8601 386.514 GPRESSURE: 134800 326.785 -8.45125 206.566 -81.2259 121.677 118.129 181.677 -180.732 422.492 PRESSAVG: 134800 11.3312 23.0958 23.0495 23.0959 -41.4048 -51.0968 23.0495 -51.0968 -5.47954 GPRESSAVG: 134800 10.9714 25.2114 23.5891 23.2607 -42.2828 -50.0299 23.0116 -51.8064 -4.31986 TIMING: 134800 CPU: 425.083, 0.00317766/step Wall: 425.083, 0.00317766/step, 4.29443 hours remaining, 232.632812 MB of memory in use. ENERGY: 134800 3868.3043 20572.9540 14491.1848 258.1842 -203707.5824 3060.2219 0.0000 0.0000 52318.6658 -109138.0676 300.6761 -161456.7334 -108773.4590 299.5146 262.3572 290.3179 763389.0904 -11.8510 -11.8771 PRESSURE: 135000 -50.4633 -206.975 -185.087 -206.975 37.5062 -137.191 -185.087 -137.192 155.473 GPRESSURE: 135000 -3.60937 -177.035 -225.092 -148.197 123.507 -94.2822 -182.592 -143.695 87.2447 PRESSAVG: 135000 -13.8357 -25.1331 15.7749 -25.1331 -20.304 4.99324 15.7748 4.99322 0.659737 GPRESSAVG: 135000 -13.8487 -26.0654 13.851 -25.1986 -19.5265 5.65216 17.9296 3.98398 -0.174284 TIMING: 135000 CPU: 425.716, 0.00316967/step Wall: 425.716, 0.00316967/step, 4.28345 hours remaining, 232.632812 MB of memory in use. ENERGY: 135000 3895.7006 20628.0909 14489.2884 244.8931 -203020.0363 2635.2498 0.0000 0.0000 52304.1325 -108822.6810 300.5926 -161126.8135 -108461.6987 300.0203 47.5053 69.0473 764382.3754 -11.1600 -11.1832 PRESSURE: 135200 -255.984 29.7964 -67.8154 29.7972 98.1234 -100.989 -67.8147 -100.989 21.0205 GPRESSURE: 135200 -213.645 72.6596 49.2254 50.197 124.758 -134.657 -158.708 -43.5252 34.6851 PRESSAVG: 135200 8.34131 -37.1976 -9.08847 -37.1976 -14.5212 -63.9626 -9.08843 -63.9627 -15.6005 GPRESSAVG: 135200 8.04945 -35.3298 -8.48784 -38.0546 -14.4794 -64.3521 -11.7412 -63.0065 -15.5323 TIMING: 135200 CPU: 426.347, 0.00315399/step Wall: 426.347, 0.00315399/step, 4.26209 hours remaining, 232.632812 MB of memory in use. ENERGY: 135200 4102.6082 20531.2733 14484.7609 254.0970 -203152.9280 2983.1132 0.0000 0.0000 52133.1729 -108663.9025 299.6101 -160797.0755 -108319.0313 300.1199 -45.6135 -18.0673 764457.6015 -7.2602 -7.3207 PRESSURE: 135400 123.4 31.4398 -153.453 31.4389 51.7105 120.461 -153.453 120.462 -203.709 GPRESSURE: 135400 119.615 99.313 -228.88 -4.54907 84.6234 209.917 -200.904 -8.44684 -132.776 PRESSAVG: 135400 -20.8292 8.01581 -27.1122 8.01578 -5.57486 -6.2622 -27.1121 -6.26219 3.72619 GPRESSAVG: 135400 -20.3523 4.47417 -27.1705 10.4639 -5.52778 -5.63148 -27.3761 -7.17557 3.96645 TIMING: 135400 CPU: 426.978, 0.00315563/step Wall: 426.978, 0.00315563/step, 4.26413 hours remaining, 232.632812 MB of memory in use. ENERGY: 135400 3986.1554 20408.4895 14473.4116 243.9644 -202876.2080 2771.1599 0.0000 0.0000 52138.4919 -108854.5353 299.6406 -160993.0272 -108487.9968 300.1522 -9.5329 23.8210 763042.9372 -7.5593 -7.3046 PRESSURE: 135600 271.332 -63.7443 36.798 -63.7436 -58.6181 72.6299 36.7977 72.6305 -213.98 GPRESSURE: 135600 215.262 -216.042 141.421 16.7697 -4.04342 -33.3127 44.8127 86.9445 -123.547 PRESSAVG: 135600 54.6293 -35.0076 39.6463 -35.0075 -24.9787 13.3543 39.6463 13.3543 -8.80954 GPRESSAVG: 135600 53.8064 -32.4655 40.1653 -37.8482 -24.2931 13.0872 39.9479 11.3393 -8.96143 TIMING: 135600 CPU: 427.614, 0.00317776/step Wall: 427.614, 0.00317776/step, 4.29386 hours remaining, 232.632812 MB of memory in use. ENERGY: 135600 3978.2255 20503.8295 14446.8325 243.9475 -203374.7915 3001.3958 0.0000 0.0000 52189.6113 -109010.9496 299.9344 -161200.5608 -108646.8442 299.8665 -0.4220 29.2240 761308.6069 6.9470 6.8506 PRESSURE: 135800 335.029 -143.554 -11.1047 -143.554 296.136 -308.112 -11.1048 -308.111 -329.146 GPRESSURE: 135800 335.971 -174.607 -43.4971 -199.422 238.609 -252.491 -37.1116 -280.599 -204.907 PRESSAVG: 135800 45.0943 -17.4829 -19.0484 -17.4829 -32.37 -63.9553 -19.0484 -63.9553 1.64333 GPRESSAVG: 135800 45.3804 -19.179 -19.6122 -18.0129 -33.6134 -65.3852 -17.3388 -60.3733 2.27509 TIMING: 135800 CPU: 428.249, 0.00317736/step Wall: 428.249, 0.00317736/step, 4.29315 hours remaining, 232.632812 MB of memory in use. ENERGY: 135800 3970.2137 20597.7976 14464.1195 261.3892 -203075.3861 2629.8201 0.0000 0.0000 51992.2864 -109159.7596 298.8004 -161152.0460 -108802.7661 299.5068 100.6730 123.2242 761939.0505 4.7892 4.6807 PRESSURE: 136000 155.484 125.173 61.2044 125.172 -309.657 -173.396 61.2048 -173.396 -9.97861 GPRESSURE: 136000 221.396 132.472 33.1326 57.56 -244.6 -151.367 -72.0682 -96.4997 -73.9636 PRESSAVG: 136000 56.8492 -42.7339 -12.6206 -42.734 15.6228 -43.9383 -12.6206 -43.9383 -3.29204 GPRESSAVG: 136000 57.6622 -42.7203 -14.1147 -42.5181 16.4152 -42.1403 -14.37 -43.5762 -4.77419 TIMING: 136000 CPU: 428.886, 0.00318219/step Wall: 428.886, 0.00318219/step, 4.29949 hours remaining, 232.632812 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: 136000 4045.6715 20449.2469 14444.0693 251.3455 -203216.0740 2645.0685 0.0000 0.0000 52053.1778 -109327.4946 299.1503 -161380.6724 -108965.2981 299.2195 -54.7172 -32.3892 762317.2492 23.0600 23.1011 PRESSURE: 136200 -34.8656 143.22 -104.952 143.22 -150.122 1.46143 -104.951 1.46231 234.866 GPRESSURE: 136200 14.1298 93.7972 -114.772 192.617 -100.041 40.3346 -50.8301 -16.3388 178.697 PRESSAVG: 136200 -9.50479 -43.9276 -4.80761 -43.9276 -1.83004 -13.6405 -4.80767 -13.6404 33.8079 GPRESSAVG: 136200 -9.76622 -43.28 -2.41926 -43.6118 -1.7688 -15.0749 -3.82021 -15.979 34.6752 TIMING: 136200 CPU: 429.519, 0.00316419/step Wall: 429.519, 0.00316419/step, 4.27499 hours remaining, 232.632812 MB of memory in use. ENERGY: 136200 3964.1570 20537.0915 14422.8041 232.0629 -202924.5909 2564.1072 0.0000 0.0000 52105.7443 -109098.6238 299.4524 -161204.3682 -108741.9410 299.2427 16.6262 30.9286 764421.2436 7.4910 7.7134 LDB: ============= START OF LOAD BALANCING ============== 442.053 LDB: ============== END OF LOAD BALANCING =============== 442.054 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 442.055 LDB: ============= START OF LOAD BALANCING ============== 442.374 LDB: Largest compute 7029 load 0.032515 is 16.7% of average load 0.194944 LDB: Average compute 0.004356 is 2.2% of average load 0.194944 LDB: TIME 442.378 LOAD: AVG 0.194944 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.312 MB LDB: TIME 442.378 LOAD: AVG 0.194944 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.312 MB LDB: TIME 442.378 LOAD: AVG 0.194944 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.312 MB LDB: ============== END OF LOAD BALANCING =============== 442.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 442.385 PRESSURE: 136400 -151.11 -118.387 -95.2741 -118.387 143.619 -52.5285 -95.2746 -52.5279 -26.0396 GPRESSURE: 136400 -44.9858 -14.0488 -89.0462 -101.608 125.152 -75.1822 -41.481 -77.83 -16.9612 PRESSAVG: 136400 -8.51832 -24.7497 -8.83501 -24.7497 -4.74094 3.63138 -8.83506 3.63139 19.917 GPRESSAVG: 136400 -9.0604 -25.5587 -8.92322 -23.2275 -5.09596 2.59338 -10.0577 6.65232 21.0213 TIMING: 136400 CPU: 430.168, 0.00324794/step Wall: 430.168, 0.00324794/step, 4.38797 hours remaining, 232.593750 MB of memory in use. ENERGY: 136400 3916.3287 20419.7890 14469.4861 239.7368 -203094.6582 2618.3736 0.0000 0.0000 52301.2873 -109129.6567 300.5762 -161430.9440 -108762.8568 298.8368 -11.1769 21.0684 763107.8427 2.2192 2.2883 PRESSURE: 136600 -205.872 49.4784 79.304 49.4793 262.646 7.32867 79.3039 7.32876 -327.426 GPRESSURE: 136600 -172.27 24.8976 83.0282 -19.4566 237.754 63.846 -24.1679 61.8659 -213.279 PRESSAVG: 136600 23.8168 -20.5678 40.6462 -20.5678 -9.58229 -8.90889 40.6461 -8.90889 -5.63257 GPRESSAVG: 136600 24.2255 -18.9076 41.7185 -21.3784 -8.81458 -6.34638 38.771 -11.235 -6.40355 TIMING: 136600 CPU: 430.801, 0.00316319/step Wall: 430.801, 0.00316319/step, 4.2733 hours remaining, 232.722656 MB of memory in use. ENERGY: 136600 3996.7740 20392.1474 14432.0847 247.6570 -203250.4549 2791.1050 0.0000 0.0000 52169.7914 -109220.8954 299.8205 -161390.6868 -108852.6325 298.9570 -90.2176 -49.2648 763596.1675 2.8673 3.0025 PRESSURE: 136800 -292.278 -52.3504 221.879 -52.3513 22.8207 -122.724 221.878 -122.724 -125.678 GPRESSURE: 136800 -209.231 -36.8081 253.528 -85.0357 88.1678 -26.5486 50.1608 -169.66 -183.731 PRESSAVG: 136800 34.6262 -27.0125 -5.19015 -27.0124 -52.9797 19.4384 -5.19015 19.4384 7.12924 GPRESSAVG: 136800 34.5876 -28.2406 -7.1442 -26.9385 -54.124 17.7644 -2.89669 20.4342 7.61218 TIMING: 136800 CPU: 431.44, 0.00319562/step Wall: 431.44, 0.00319562/step, 4.31692 hours remaining, 232.722656 MB of memory in use. ENERGY: 136800 4018.8418 20464.7917 14454.8656 232.3658 -203715.1677 2860.0471 0.0000 0.0000 52378.1772 -109306.0784 301.0181 -161684.2556 -108941.9599 299.1469 -131.7120 -101.5979 763041.1388 -3.7414 -3.9748 PRESSURE: 137000 -153.69 135.482 -44.0011 135.482 177.992 86.0165 -44.0007 86.0168 -253.561 GPRESSURE: 137000 -108.38 42.6359 -6.20072 68.7644 181.098 61.5884 -18.324 196.065 -221.734 PRESSAVG: 137000 3.82481 -2.1473 38.3487 -2.1473 5.43542 -32.2453 38.3487 -32.2453 -6.15565 GPRESSAVG: 137000 4.45715 -3.53782 39.0392 -2.63178 5.49409 -32.1109 37.8646 -31.1496 -6.87707 TIMING: 137000 CPU: 432.077, 0.00318742/step Wall: 432.077, 0.00318742/step, 4.30568 hours remaining, 232.722656 MB of memory in use. ENERGY: 137000 4030.5489 20299.9211 14442.2432 261.7867 -203351.7617 2618.0773 0.0000 0.0000 52257.8155 -109441.3690 300.3264 -161699.1846 -109066.1287 299.3468 -76.4196 -49.6720 761380.4383 1.0349 1.0247 PRESSURE: 137200 23.6719 8.95576 -71.399 8.95534 -175.473 98.3349 -71.3995 98.3364 -323.014 GPRESSURE: 137200 -17.7457 32.523 -43.6233 57.6592 -34.1996 166.779 -26.1752 204.432 -315.717 PRESSAVG: 137200 22.6627 0.951107 14.4971 0.951246 -27.8991 -38.2244 14.4972 -38.2244 29.4393 GPRESSAVG: 137200 21.9122 3.52678 14.5838 0.935167 -27.096 -38.808 14.65 -39.2919 29.0163 TIMING: 137200 CPU: 432.717, 0.00319569/step Wall: 432.717, 0.00319569/step, 4.31667 hours remaining, 232.722656 MB of memory in use. ENERGY: 137200 4003.7839 20371.3698 14438.9157 240.8566 -203245.5759 2709.7518 0.0000 0.0000 52180.9681 -109299.9300 299.8847 -161480.8982 -108942.8368 299.5100 -158.2714 -122.5540 762918.0669 8.0676 7.9442 PRESSURE: 137400 -384.579 -91.7066 -84.2029 -91.7062 94.681 -228.613 -84.202 -228.612 -158.862 GPRESSURE: 137400 -255.676 1.94353 -141.788 -153.821 63.8818 -167.82 -178.769 -237.774 -173.206 PRESSAVG: 137400 14.2678 -17.5481 31.031 -17.5482 -13.2929 2.82354 31.031 2.82355 13.984 GPRESSAVG: 137400 14.4769 -18.2738 29.5509 -16.3296 -14.8199 3.18519 30.9735 2.23155 15.6098 TIMING: 137400 CPU: 433.355, 0.00319416/step Wall: 433.355, 0.00319416/step, 4.31442 hours remaining, 232.722656 MB of memory in use. ENERGY: 137400 4028.0713 20497.5466 14439.3130 275.1408 -202818.0364 2362.4336 0.0000 0.0000 52073.5164 -109142.0146 299.2672 -161215.5310 -108781.6353 299.3598 -149.5865 -121.6667 763213.8991 4.9863 5.0889 PRESSURE: 137600 222.98 -17.028 108.75 -17.0281 79.6345 83.6469 108.75 83.6482 103.737 GPRESSURE: 137600 280.753 6.47693 44.9008 -24.2186 127.746 71.9685 56.4421 46.0417 81.9128 PRESSAVG: 137600 -46.6234 -29.5726 29.7626 -29.5726 30.474 5.5199 29.7626 5.51991 -17.3166 GPRESSAVG: 137600 -46.9807 -27.9911 29.2099 -29.7653 31.5251 5.58162 30.0668 6.23746 -18.5865 TIMING: 137600 CPU: 433.994, 0.00319391/step Wall: 433.994, 0.00319391/step, 4.3139 hours remaining, 232.722656 MB of memory in use. ENERGY: 137600 3946.8545 20511.5872 14451.0896 257.3239 -202759.0784 2514.8684 0.0000 0.0000 51961.8888 -109115.4659 298.6257 -161077.3547 -108757.5854 299.2642 135.4504 163.4705 763606.6913 -11.1553 -11.3474 PRESSURE: 137800 8.5313 160.304 123.551 160.304 -81.9626 70.7151 123.55 70.7149 -178.653 GPRESSURE: 137800 31.1514 87.2179 70.7315 131.413 -99.8177 69.6829 157.358 27.1974 -96.8915 PRESSAVG: 137800 6.24393 27.4874 -11.2654 27.4875 34.1027 -86.7852 -11.2654 -86.7852 13.5929 GPRESSAVG: 137800 7.23461 25.3802 -10.3352 26.4291 33.3437 -86.4329 -9.95915 -88.6443 13.6772 TIMING: 137800 CPU: 434.639, 0.00322178/step Wall: 434.639, 0.00322178/step, 4.35138 hours remaining, 232.722656 MB of memory in use. ENERGY: 137800 3956.3736 20473.8582 14381.3094 233.5265 -203132.2221 2711.1457 0.0000 0.0000 52316.5319 -109059.4767 300.6638 -161376.0086 -108693.4220 299.5786 -84.0282 -55.1859 763205.8013 17.9798 18.0852 PRESSURE: 138000 132.245 -195.082 97.2932 -195.082 69.1254 -123.946 97.2925 -123.945 79.8031 GPRESSURE: 138000 182.514 -199.151 14.6184 -253.132 49.4512 -48.7391 -21.5297 -251.73 132.441 PRESSAVG: 138000 3.92804 -23.8644 -37.9434 -23.8643 27.0714 -8.78691 -37.9434 -8.78688 -1.63146 GPRESSAVG: 138000 3.54968 -24.9039 -37.7084 -22.4013 28.1828 -9.80712 -39.6727 -8.14255 -2.61218 TIMING: 138000 CPU: 435.285, 0.00323228/step Wall: 435.285, 0.00323228/step, 4.36537 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: 138000 3963.6419 20409.3151 14421.6609 263.6916 -202763.7256 2736.3973 0.0000 0.0000 51835.5530 -109133.4658 297.8996 -160969.0188 -108771.1169 299.7932 93.7244 121.4688 763411.1920 9.7893 9.7068 PRESSURE: 138200 127.621 185.016 33.1136 185.016 -92.7113 -22.8677 33.1135 -22.868 170.001 GPRESSURE: 138200 138.192 84.6706 8.52846 24.644 -32.274 57.9753 85.363 -124.07 199.155 PRESSAVG: 138200 20.184 -14.3347 -34.5131 -14.3347 22.0618 -5.84915 -34.5131 -5.84916 24.5088 GPRESSAVG: 138200 19.8892 -12.7162 -34.6801 -14.2338 21.5037 -5.48397 -36.7153 -5.55995 25.3706 TIMING: 138200 CPU: 435.928, 0.00321565/step Wall: 435.928, 0.00321565/step, 4.34273 hours remaining, 232.722656 MB of memory in use. ENERGY: 138200 4041.0548 20406.6858 14465.4534 262.8004 -202600.4452 2434.1990 0.0000 0.0000 52033.3543 -108956.8974 299.0364 -160990.2517 -108599.0143 298.9781 68.3037 101.6908 763858.7826 22.2516 22.2545 PRESSURE: 138400 -391.746 -49.6619 87.1758 -49.6609 -322.114 -7.67536 87.1761 -7.67486 -477.405 GPRESSURE: 138400 -337.035 -20.1457 52.6517 -59.6871 -350.812 -41.8233 -49.9303 29.7975 -415.555 PRESSAVG: 138400 6.06636 -8.23342 -42.8761 -8.23347 -14.6838 15.1041 -42.8762 15.1041 -20.5008 GPRESSAVG: 138400 4.63587 -7.79417 -41.9552 -8.6781 -13.416 15.4749 -41.4851 15.4412 -21.1337 TIMING: 138400 CPU: 436.565, 0.00318173/step Wall: 436.565, 0.00318173/step, 4.29676 hours remaining, 232.722656 MB of memory in use. ENERGY: 138400 3991.2112 20346.8976 14420.7264 277.6811 -202489.2445 2427.3935 0.0000 0.0000 52261.4617 -108763.8730 300.3473 -161025.3346 -108397.8863 299.5142 -397.0882 -367.8009 765663.5500 -9.7061 -9.9713 PRESSURE: 138600 -126.958 9.46447 81.6295 9.46454 -58.2229 -149.269 81.6288 -149.267 -51.8258 GPRESSURE: 138600 -77.0851 55.6879 56.2228 -3.52448 -39.4284 -125.124 198.184 -106.642 -46.8717 PRESSAVG: 138600 22.9359 4.84918 -15.8388 4.84918 -6.66324 6.26754 -15.8388 6.26756 -0.183229 GPRESSAVG: 138600 23.0157 2.53397 -18.0794 5.52098 -7.94626 5.61254 -12.2034 5.93491 0.876851 TIMING: 138600 CPU: 437.207, 0.00321473/step Wall: 437.207, 0.00321474/step, 4.34114 hours remaining, 232.722656 MB of memory in use. ENERGY: 138600 3945.8943 20434.3825 14411.4950 232.6972 -202799.3018 2621.6684 0.0000 0.0000 52250.3892 -108902.7752 300.2837 -161153.1644 -108537.0198 299.7914 -79.0023 -54.4617 765881.3702 5.3631 5.3154 PRESSURE: 138800 189.076 -42.0224 60.3242 -42.0228 -141.329 -57.3484 60.3242 -57.348 69.3263 GPRESSURE: 138800 152.044 -88.5127 44.9736 -109.449 -48.7347 -71.1317 67.9648 -175.027 94.6909 PRESSAVG: 138800 38.778 3.11604 19.9602 3.11598 -39.9823 -52.8643 19.9601 -52.8643 10.668 GPRESSAVG: 138800 38.1039 7.85777 20.2717 0.894611 -38.3166 -52.8313 18.9711 -54.1023 9.97566 TIMING: 138800 CPU: 437.843, 0.00317915/step Wall: 437.843, 0.00317915/step, 4.29291 hours remaining, 232.722656 MB of memory in use. ENERGY: 138800 3988.6687 20458.5360 14457.6609 251.5202 -203152.5153 2840.4396 0.0000 0.0000 52194.0100 -108961.6798 299.9597 -161155.6899 -108599.9493 299.4253 39.0242 66.0001 763848.7034 3.1546 3.2543 PRESSURE: 139000 79.4111 179.242 29.7488 179.243 115.643 -8.77625 29.7485 -8.77551 92.343 GPRESSURE: 139000 143.169 126.339 5.93686 202.738 143.945 95.7541 -10.8896 -13.4649 105.234 PRESSAVG: 139000 43.3269 1.87149 47.4153 1.87145 -37.0229 -39.2952 47.4152 -39.2951 9.01873 GPRESSAVG: 139000 44.0442 0.749299 48.9157 3.32255 -37.6385 -38.7885 43.6214 -39.5848 9.02977 TIMING: 139000 CPU: 438.476, 0.0031656/step Wall: 438.476, 0.0031656/step, 4.27444 hours remaining, 232.722656 MB of memory in use. ENERGY: 139000 3989.7012 20484.2132 14409.7816 272.5605 -203260.8211 3025.5658 0.0000 0.0000 52318.5099 -108760.4890 300.6752 -161078.9989 -108400.4059 299.9144 95.7990 130.7825 765030.7405 5.1076 5.1452 PRESSURE: 139200 -39.0128 -39.4825 12.1606 -39.483 97.9731 -173.033 12.1601 -173.033 215.523 GPRESSURE: 139200 -7.33378 -31.5408 -26.7929 -4.30081 191.917 -175.878 60.9848 -40.6222 192.537 PRESSAVG: 139200 -6.05057 33.2529 38.0695 33.2529 2.38121 30.5824 38.0694 30.5824 -15.2344 GPRESSAVG: 139200 -4.69184 32.9264 37.5429 32.8532 2.39468 30.0685 39.5308 32.6074 -16.3953 TIMING: 139200 CPU: 439.117, 0.00320265/step Wall: 439.117, 0.00320265/step, 4.32429 hours remaining, 232.722656 MB of memory in use. ENERGY: 139200 4042.1931 20316.9224 14438.5043 253.9822 -202956.4860 2694.3010 0.0000 0.0000 52450.0424 -108760.5406 301.4311 -161210.5829 -108394.5980 300.3652 91.4944 125.7068 763950.7059 -6.3012 -6.2308 PRESSURE: 139400 -248.939 141.983 -228.385 141.982 -336.793 150.649 -228.386 150.649 83.7994 GPRESSURE: 139400 -223.16 185.483 -240.231 68.5289 -197.556 105.327 -76.4699 143.675 12.4005 PRESSAVG: 139400 -1.78158 33.7662 18.621 33.7661 29.4764 74.6647 18.621 74.6646 -3.97028 GPRESSAVG: 139400 -2.94912 32.2801 19.3354 34.8426 29.9453 74.7238 18.2717 73.8616 -3.19087 TIMING: 139400 CPU: 439.756, 0.00319697/step Wall: 439.756, 0.00319697/step, 4.31644 hours remaining, 232.722656 MB of memory in use. ENERGY: 139400 3988.0954 20532.6132 14445.6888 273.7700 -202852.5596 2491.6193 0.0000 0.0000 52330.3862 -108790.3867 300.7434 -161120.7729 -108424.2932 300.1978 -167.3106 -136.1052 763094.0844 7.9082 7.9351 PRESSURE: 139600 -223.452 92.084 -266.467 92.0844 -176.662 -104.435 -266.468 -104.434 -318.554 GPRESSURE: 139600 -173.793 120.774 -339.379 120.253 -176.236 -126.968 -203.384 -146.19 -331.431 PRESSAVG: 139600 6.03699 36.3857 33.4356 36.3857 9.8788 4.60577 33.4356 4.60596 16.5613 GPRESSAVG: 139600 6.07283 36.8833 31.4707 36.2472 9.44199 5.22055 36.1717 5.19133 16.9186 TIMING: 139600 CPU: 440.397, 0.00320562/step Wall: 440.397, 0.00320562/step, 4.32794 hours remaining, 232.722656 MB of memory in use. ENERGY: 139600 3968.0294 20537.3335 14334.4805 264.6198 -202389.1112 2350.7949 0.0000 0.0000 52095.1107 -108838.7424 299.3913 -160933.8531 -108460.7774 300.1011 -239.5559 -227.1532 764597.6768 10.8257 10.8111 PRESSURE: 139800 254.256 145.558 102.633 145.559 128.01 -95.9947 102.634 -95.9947 27.6012 GPRESSURE: 139800 198.564 28.8061 36.0069 -24.3313 200.073 -128.489 42.8958 -121.492 83.6717 PRESSAVG: 139800 27.4196 8.36612 34.8481 8.36616 -13.9605 -13.4847 34.8481 -13.4846 0.695576 GPRESSAVG: 139800 27.3293 7.40847 33.9666 6.92219 -15.0633 -14.118 34.1305 -13.6769 1.47284 TIMING: 139800 CPU: 441.033, 0.00317606/step Wall: 441.033, 0.00317606/step, 4.28786 hours remaining, 232.722656 MB of memory in use. ENERGY: 139800 4032.6506 20460.1671 14399.6806 251.1382 -202887.9563 2800.6483 0.0000 0.0000 51932.5977 -109011.0738 298.4574 -160943.6715 -108644.7029 299.7604 136.6224 160.7695 763602.1149 4.7182 4.5796 PRESSURE: 140000 -255.768 -189.293 10.8811 -189.294 -63.3584 -111.217 10.8816 -111.216 -255.605 GPRESSURE: 140000 -268.847 -137.101 -17.909 -230.444 4.18815 -59.5237 5.03235 -117.207 -228.088 PRESSAVG: 140000 8.59381 -46.6873 24.0571 -46.6873 -32.4816 -6.30335 24.0571 -6.30333 0.332822 GPRESSAVG: 140000 7.65704 -46.1158 25.2311 -46.7331 -31.2518 -4.1841 22.7809 -8.86825 -0.541343 TIMING: 140000 CPU: 441.668, 0.00317725/step Wall: 441.668, 0.00317725/step, 4.28928 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: 140000 4044.8421 20596.8643 14385.8983 252.9657 -202473.2251 2328.3876 0.0000 0.0000 51900.5271 -108963.7401 298.2730 -160864.2672 -108604.4839 299.3859 -191.5772 -164.2490 762354.0181 -7.8517 -8.0454 PRESSURE: 140200 -238.848 -32.6252 -41.5644 -32.6241 -109.515 236.721 -41.5637 236.72 267.851 GPRESSURE: 140200 -180.625 85.9535 -45.752 -15.4783 -88.0802 147.985 -17.3871 352.83 283.652 PRESSAVG: 140200 6.41287 -38.1136 -34.0293 -38.1136 31.6969 39.5736 -34.0293 39.5736 -7.27257 GPRESSAVG: 140200 6.46788 -36.2903 -33.8867 -37.6634 30.8312 38.5521 -35.3042 40.675 -6.44501 TIMING: 140200 CPU: 442.31, 0.00320773/step Wall: 442.31, 0.00320773/step, 4.33026 hours remaining, 232.722656 MB of memory in use. ENERGY: 140200 3933.8521 20387.7205 14406.3969 252.0221 -202823.5776 2600.1115 0.0000 0.0000 51778.1612 -109465.3134 297.5698 -161243.4746 -109093.5289 299.1601 -26.8371 4.9822 762626.8234 10.2791 10.2847 LDB: ============= START OF LOAD BALANCING ============== 454.845 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 454.845 LDB: =============== DONE WITH MIGRATION ================ 454.846 LDB: ============= START OF LOAD BALANCING ============== 455.164 LDB: Largest compute 7029 load 0.031260 is 16.0% of average load 0.195054 LDB: Average compute 0.004362 is 2.2% of average load 0.195054 LDB: TIME 455.168 LOAD: AVG 0.195054 MAX 0.216764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.992 MB LDB: TIME 455.168 LOAD: AVG 0.195054 MAX 0.216764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: TIME 455.168 LOAD: AVG 0.195054 MAX 0.216764 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.191 MB LDB: ============== END OF LOAD BALANCING =============== 455.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 455.175 PRESSURE: 140400 -305.747 -200.884 46.1246 -200.884 56.1822 73.6309 46.1243 73.6309 -167.791 GPRESSURE: 140400 -187.747 -279.161 26.3155 -57.4955 36.228 -14.1749 101.405 64.2825 -197.956 PRESSAVG: 140400 3.7581 -46.8871 -0.470463 -46.8871 49.842 65.7836 -0.470532 65.7836 24.5597 GPRESSAVG: 140400 5.33774 -49.0775 -0.973934 -46.1062 48.9483 66.2928 2.24903 66.6045 23.8418 TIMING: 140400 CPU: 442.958, 0.00324229/step Wall: 442.958, 0.00324229/step, 4.37673 hours remaining, 233.160156 MB of memory in use. ENERGY: 140400 3964.2300 20429.2363 14380.1431 251.9612 -202185.9888 1915.0792 0.0000 0.0000 51871.8648 -109373.4741 298.1083 -161245.3389 -109004.9710 299.0212 -139.1187 -116.4917 763068.0013 26.0532 26.0426 PRESSURE: 140600 -145.803 102.238 37.9008 102.238 225.421 -24.3741 37.9002 -24.3741 351.449 GPRESSURE: 140600 -76.7695 70.3643 19.2759 90.6186 206.727 -190.849 112.905 47.226 388.063 PRESSAVG: 140600 -8.02898 -42.7895 2.55515 -42.7894 7.40256 39.5771 2.55509 39.5771 -0.380853 GPRESSAVG: 140600 -8.23351 -41.3566 2.60897 -43.3833 8.7164 38.9485 3.40244 38.5838 -1.76229 TIMING: 140600 CPU: 443.59, 0.00315884/step Wall: 443.59, 0.00315884/step, 4.26391 hours remaining, 233.429688 MB of memory in use. ENERGY: 140600 3848.9788 20462.5778 14480.7520 249.3400 -203150.1831 2939.9726 0.0000 0.0000 52051.9233 -109116.6385 299.1431 -161168.5618 -108745.7254 299.0823 143.6887 172.6736 761451.3742 -0.3358 -0.4265 PRESSURE: 140800 -67.2644 -85.5032 149.322 -85.5029 -126.232 90.851 149.322 90.8522 -455.633 GPRESSURE: 140800 -78.7536 10.0554 197.799 -169.124 -112.825 74.5537 -24.4653 -3.91514 -380.996 PRESSAVG: 140800 -17.0191 31.5431 9.52597 31.5431 -5.73561 -9.084 9.52601 -9.08403 5.99649 GPRESSAVG: 140800 -17.603 30.0993 11.0252 33.8085 -5.99647 -7.38248 5.38786 -8.409 7.32924 TIMING: 140800 CPU: 444.223, 0.00316344/step Wall: 444.223, 0.00316344/step, 4.26994 hours remaining, 233.429688 MB of memory in use. ENERGY: 140800 3998.3060 20359.7418 14438.1863 250.6463 -203272.9037 2793.3925 0.0000 0.0000 52126.4381 -109306.1926 299.5714 -161432.6307 -108943.9637 299.3018 -216.3764 -190.8579 762260.6621 -5.5861 -5.4234 PRESSURE: 141000 151.645 -98.0369 7.0167 -98.037 -38.6751 -1.46265 7.01675 -1.46192 528.075 GPRESSURE: 141000 248.37 -99.022 -0.171071 29.9103 -17.7608 37.1884 97.4062 -8.67889 500.448 PRESSAVG: 141000 15.058 -3.82654 -37.048 -3.82658 -10.9669 -9.82813 -37.048 -9.82809 26.6302 GPRESSAVG: 141000 15.0019 -2.97777 -38.5097 -6.08874 -9.79632 -11.953 -36.3853 -7.77969 25.7429 TIMING: 141000 CPU: 444.85, 0.00313488/step Wall: 444.85, 0.00313488/step, 4.23122 hours remaining, 233.429688 MB of memory in use. ENERGY: 141000 4009.6190 20614.3264 14431.3857 253.9470 -203341.1886 2745.5139 0.0000 0.0000 51985.4050 -109300.9915 298.7608 -161286.3965 -108953.7294 299.6164 213.6817 243.6858 762044.7339 10.2404 10.3162 PRESSURE: 141200 136.557 -53.5486 97.6562 -53.5481 -49.7188 -39.5146 97.6561 -39.5148 -158.855 GPRESSURE: 141200 151.932 -43.3979 43.5589 -94.6659 -11.1972 -9.66313 25.1899 -21.1546 -113.041 PRESSAVG: 141200 4.11528 -10.0043 -7.44692 -10.0043 -12.501 -44.0506 -7.44687 -44.0505 24.8421 GPRESSAVG: 141200 2.62775 -9.94905 -6.06222 -8.51548 -11.861 -43.4762 -5.37377 -46.1086 26.0467 TIMING: 141200 CPU: 445.481, 0.00315656/step Wall: 445.481, 0.00315656/step, 4.26031 hours remaining, 233.429688 MB of memory in use. ENERGY: 141200 4035.6041 20590.4082 14434.9288 241.1581 -203654.7085 2993.4234 0.0000 0.0000 52046.4270 -109312.7590 299.1115 -161359.1860 -108947.4967 299.5025 -24.0056 9.2313 763086.7165 5.4855 5.6045 PRESSURE: 141400 -175.076 28.582 -92.1821 28.582 -294.702 75.7195 -92.182 75.7196 -562.975 GPRESSURE: 141400 -214.176 27.092 -22.4106 93.4734 -244.241 70.1951 108.888 128.545 -474.035 PRESSAVG: 141400 14.2193 -38.4723 56.4377 -38.4722 -53.1038 23.0165 56.4377 23.0163 14.1519 GPRESSAVG: 141400 16.6015 -37.8346 56.8738 -37.7231 -54.2582 22.5065 55.7919 21.7058 12.964 TIMING: 141400 CPU: 446.109, 0.00314158/step Wall: 446.109, 0.00314158/step, 4.23991 hours remaining, 233.500000 MB of memory in use. ENERGY: 141400 3899.8032 20603.8477 14416.3857 221.9491 -203316.3097 2662.6017 0.0000 0.0000 52148.3065 -109363.4159 299.6970 -161511.7223 -109008.3357 299.4427 -344.2510 -310.8171 762725.4923 -8.2442 -8.2309 PRESSURE: 141600 202.653 73.3053 -192.405 73.3055 -172.189 -41.4058 -192.404 -41.4046 -128.374 GPRESSURE: 141600 63.4569 -44.1882 -178.425 106.237 -43.6707 -5.68494 -170.07 -183.053 -52.765 PRESSAVG: 141600 30.4084 -77.947 -16.469 -77.9469 -45.8927 -23.147 -16.4689 -23.147 -13.8328 GPRESSAVG: 141600 28.649 -81.6677 -17.3164 -76.0931 -45.5662 -22.5526 -16.2624 -20.2255 -12.7044 TIMING: 141600 CPU: 446.737, 0.00314081/step Wall: 446.737, 0.00314081/step, 4.2387 hours remaining, 233.500000 MB of memory in use. ENERGY: 141600 4078.3158 20604.3165 14418.9267 236.3624 -203234.4451 2616.8425 0.0000 0.0000 52179.4615 -109100.2197 299.8761 -161279.6812 -108741.5824 299.4824 -32.6366 -10.9929 762590.3294 -9.7724 -9.8739 PRESSURE: 141800 10.7952 115.711 -68.6745 115.711 327.158 -69.1627 -68.6737 -69.1636 12.4651 GPRESSURE: 141800 39.1928 105.898 -94.6992 -43.8064 332.588 -52.6958 -209.364 59.8553 56.1435 PRESSAVG: 141800 75.9649 -43.7893 -24.4484 -43.7893 -49.6898 -0.878945 -24.4484 -0.878881 30.203 GPRESSAVG: 141800 77.4611 -41.4668 -24.3808 -47.1502 -51.0363 -1.03546 -25.6 -1.33569 30.3798 TIMING: 141800 CPU: 447.368, 0.00315279/step Wall: 447.368, 0.00315279/step, 4.2547 hours remaining, 233.500000 MB of memory in use. ENERGY: 141800 4051.3446 20519.9858 14475.0056 236.6706 -203095.8244 2727.2235 0.0000 0.0000 52171.8572 -108913.7371 299.8324 -161085.5943 -108550.5730 300.3473 116.8060 142.6413 763848.1789 18.8260 18.9349 PRESSURE: 142000 -169.506 -2.22068 -55.9857 -2.22071 190.07 36.363 -55.9855 36.3624 -39.4083 GPRESSURE: 142000 -109.17 -14.08 -20.4373 23.7475 190.118 10.1511 57.8073 77.3553 -30.7667 PRESSAVG: 142000 2.21412 9.61253 12.2884 9.61262 2.31935 24.4239 12.2884 24.4239 -11.6094 GPRESSAVG: 142000 1.01067 9.92211 13.5176 9.10406 3.75006 25.1031 12.8199 22.6125 -11.7612 TIMING: 142000 CPU: 447.999, 0.00315636/step Wall: 447.999, 0.00315636/step, 4.25933 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: 142000 3958.0507 20560.4480 14449.1207 243.1717 -203111.5689 2767.0730 0.0000 0.0000 52137.6138 -108996.0911 299.6356 -161133.7049 -108626.6829 300.2286 -6.2814 16.7270 763672.6523 -2.3586 -2.3335 PRESSURE: 142200 -258.926 -138.143 297.474 -138.143 -18.4352 -45.9404 297.475 -45.9412 37.8235 GPRESSURE: 142200 -110.803 -95.7524 237.616 61.3281 -78.7271 2.46065 183.768 -35.8889 56.7959 PRESSAVG: 142200 -6.23291 -31.3815 47.1683 -31.3815 7.46021 -21.341 47.1683 -21.341 17.7028 GPRESSAVG: 142200 -5.18639 -31.9761 45.6387 -29.9526 6.10583 -20.1365 48.2539 -18.9424 18.1682 TIMING: 142200 CPU: 448.632, 0.00316567/step Wall: 448.632, 0.00316567/step, 4.27172 hours remaining, 233.500000 MB of memory in use. ENERGY: 142200 4003.8968 20500.2791 14400.0898 239.9028 -203067.6756 2680.9977 0.0000 0.0000 52181.3197 -109061.1897 299.8868 -161242.5094 -108706.6185 300.1100 -79.8458 -44.2446 761728.2010 6.3100 6.3626 PRESSURE: 142400 377.933 166.267 274.291 166.267 -235.47 224.463 274.291 224.464 -21.8874 GPRESSURE: 142400 397.43 185.946 426.915 85.5448 -227.788 196.667 147.887 163.274 31.043 PRESSAVG: 142400 25.4734 20.784 -7.93308 20.7841 2.73387 33.5047 -7.93311 33.5046 -17.0129 GPRESSAVG: 142400 25.1656 20.1574 -8.06659 20.0602 2.45942 32.8135 -9.86084 31.1916 -16.7209 TIMING: 142400 CPU: 449.269, 0.0031809/step Wall: 449.269, 0.0031809/step, 4.2921 hours remaining, 233.500000 MB of memory in use. ENERGY: 142400 3945.6830 20428.5936 14448.9554 249.8613 -202953.7705 2588.1311 0.0000 0.0000 51996.7023 -109295.8437 298.8258 -161292.5460 -108936.8055 299.8324 40.1920 66.8950 762598.6914 3.7315 3.6347 PRESSURE: 142600 -151.945 -89.8217 -5.38566 -89.8221 -174.574 122.113 -5.38451 122.113 46.449 GPRESSURE: 142600 -32.8846 86.6674 -31.6525 -84.4243 -154.745 120.727 -20.7776 131.584 -7.72231 PRESSAVG: 142600 39.8282 -37.3108 -2.83153 -37.3108 -25.8783 38.5943 -2.83164 38.5944 -7.47147 GPRESSAVG: 142600 40.0591 -36.4301 -0.577606 -38.4056 -26.0875 36.6381 -4.06676 42.1343 -7.90349 TIMING: 142600 CPU: 449.899, 0.00315492/step Wall: 449.899, 0.00315492/step, 4.25687 hours remaining, 233.500000 MB of memory in use. ENERGY: 142600 3984.3894 20495.7005 14390.3262 248.2632 -203211.9054 2754.2701 0.0000 0.0000 52071.8146 -109267.1414 299.2574 -161338.9560 -108911.0326 299.1489 -93.3566 -65.1172 762868.1411 2.1595 2.0227 PRESSURE: 142800 15.3551 -40.1753 -50.296 -40.1759 -290.041 -108.421 -50.2958 -108.421 -363.925 GPRESSURE: 142800 -52.0272 -75.3353 -74.3832 -100.275 -185.955 -88.234 37.5244 -10.7138 -299.485 PRESSAVG: 142800 59.9405 5.61473 -10.7009 5.61475 -47.1174 27.7469 -10.7009 27.7469 8.96947 GPRESSAVG: 142800 58.4293 5.27904 -13.5043 4.13446 -45.7096 30.6774 -7.57611 25.0339 9.71921 TIMING: 142800 CPU: 450.539, 0.00319561/step Wall: 450.539, 0.00319561/step, 4.31159 hours remaining, 233.500000 MB of memory in use. ENERGY: 142800 4010.2738 20414.5508 14456.7250 251.3164 -203218.7848 2589.4607 0.0000 0.0000 52083.4198 -109413.0382 299.3241 -161496.4580 -109049.3808 299.3039 -212.8700 -179.1558 762308.3621 7.2642 7.4796 PRESSURE: 143000 -38.0084 -113.384 170.516 -113.384 19.9924 291.453 170.516 291.453 74.3398 GPRESSURE: 143000 94.8711 -143.992 196.935 -19.5418 22.9171 339.389 122.665 273.463 20.5402 PRESSAVG: 143000 83.4289 -38.7855 -4.68954 -38.7854 -35.6146 34.1868 -4.68953 34.1869 -23.1701 GPRESSAVG: 143000 83.9748 -38.4863 -2.56472 -37.2615 -35.5169 32.5106 -7.23024 37.3597 -23.584 TIMING: 143000 CPU: 451.176, 0.00318611/step Wall: 451.176, 0.00318611/step, 4.29859 hours remaining, 233.500000 MB of memory in use. ENERGY: 143000 3933.1465 20444.5050 14481.2067 274.1100 -203290.2787 2724.1122 0.0000 0.0000 51899.8120 -109533.3863 298.2689 -161433.1983 -109174.2244 299.1208 18.7746 46.1095 762821.0935 8.2147 8.2913 PRESSURE: 143200 27.8134 166.394 -120.197 166.393 -278.68 231.83 -120.197 231.829 -219.384 GPRESSURE: 143200 -3.78179 183.172 -57.2524 135.274 -161.039 233.796 -34.8411 121.657 -238.437 PRESSAVG: 143200 8.03998 -5.9986 -16.6738 -5.99854 -11.1974 39.7892 -16.6739 39.7891 12.4032 GPRESSAVG: 143200 7.93995 -6.77048 -18.3835 -6.14035 -11.4965 38.3016 -14.2884 39.1973 12.3266 TIMING: 143200 CPU: 451.807, 0.00315659/step Wall: 451.807, 0.00315659/step, 4.25859 hours remaining, 233.500000 MB of memory in use. ENERGY: 143200 3953.8401 20513.6701 14498.8975 250.1444 -203563.2743 2655.5821 0.0000 0.0000 51946.1217 -109745.0184 298.5351 -161691.1401 -109395.4723 298.7874 -156.7501 -134.4193 761850.5602 3.0819 2.9234 PRESSURE: 143400 97.6254 -108.002 166.189 -108.002 -10.42 -135.199 166.188 -135.198 -429.855 GPRESSURE: 143400 93.4767 -18.0295 189.898 -20.5436 50.0895 -120.26 118.965 -307.599 -389.741 PRESSAVG: 143400 37.8153 -13.484 -5.27127 -13.484 -9.52725 30.8701 -5.27128 30.8702 19.8525 GPRESSAVG: 143400 37.2527 -12.6531 -4.47563 -12.5418 -9.46986 33.1058 -7.2841 27.1431 20.6827 TIMING: 143400 CPU: 452.439, 0.00315695/step Wall: 452.439, 0.00315695/step, 4.2589 hours remaining, 233.500000 MB of memory in use. ENERGY: 143400 4030.2996 20457.9372 14470.1366 265.0786 -203746.9765 2749.3963 0.0000 0.0000 51994.4943 -109779.6339 298.8131 -161774.1282 -109415.1635 298.3653 -114.2166 -82.0581 760694.0425 16.0468 16.1552 PRESSURE: 143600 -92.5918 -157.192 -99.7785 -157.192 -32.0405 71.7857 -99.7787 71.7857 174.463 GPRESSURE: 143600 -45.223 -239.517 -132.454 -20.1907 29.9453 82.5689 -109.294 23.6146 165.234 PRESSAVG: 143600 -3.25915 36.4336 4.35016 36.4336 49.1012 69.014 4.35023 69.0141 13.7855 GPRESSAVG: 143600 -1.79646 33.7709 3.22373 36.9082 48.5255 67.7658 4.61559 70.7267 12.4686 TIMING: 143600 CPU: 453.07, 0.00315801/step Wall: 453.07, 0.00315801/step, 4.26015 hours remaining, 233.500000 MB of memory in use. ENERGY: 143600 3988.5257 20591.7327 14402.3406 240.3841 -203555.4855 2747.3059 0.0000 0.0000 52061.8251 -109523.3713 299.2000 -161585.1964 -109162.9439 299.2560 16.6101 49.9856 761022.9700 19.8758 19.7325 PRESSURE: 143800 177.966 -203.023 46.7013 -203.023 -42.5483 -173.226 46.7011 -173.226 198.062 GPRESSURE: 143800 241.989 -201.484 115.283 -269.852 -87.4868 -121.391 -15.7805 -119.906 254.721 PRESSAVG: 143800 80.5376 -25.1181 -19.4523 -25.1181 -19.6377 -33.2779 -19.4522 -33.278 -6.94896 GPRESSAVG: 143800 79.5249 -23.4985 -18.2428 -25.633 -19.9582 -32.2522 -18.5432 -35.3586 -5.54828 TIMING: 143800 CPU: 453.701, 0.00315413/step Wall: 453.701, 0.00315413/step, 4.25475 hours remaining, 233.500000 MB of memory in use. ENERGY: 143800 3984.6534 20546.4756 14402.7220 271.9270 -203708.8429 2706.1539 0.0000 0.0000 52162.6556 -109634.2553 299.7795 -161796.9109 -109269.3282 298.8389 111.1602 136.4076 760960.9777 17.9836 18.0061 PRESSURE: 144000 -246.622 -205.99 -198.197 -205.99 118.055 40.0585 -198.197 40.0585 -49.4567 GPRESSURE: 144000 -216.421 -238.081 -181.459 -180.852 106.211 0.712024 -200.757 70.4664 5.83943 PRESSAVG: 144000 -27.1527 -49.611 3.40129 -49.611 60.6063 -46.8069 3.40126 -46.807 27.0879 GPRESSAVG: 144000 -25.5968 -48.8699 2.99205 -50.0488 59.9014 -47.9565 3.07029 -45.9228 26.4374 TIMING: 144000 CPU: 454.339, 0.00319183/step Wall: 454.339, 0.00319183/step, 4.30543 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: 144000 3993.5998 20606.7036 14468.2628 244.9054 -203640.9792 2753.6080 0.0000 0.0000 51968.8527 -109605.0469 298.6657 -161573.8995 -109241.8573 298.8574 -59.3413 -34.7902 762141.2209 20.1805 20.2473 PRESSURE: 144200 333.577 -248.983 50.2868 -248.983 1.55203 94.2027 50.2861 94.203 -100.618 GPRESSURE: 144200 330.987 -312.439 93.8062 -153.766 39.9299 123.815 57.7011 23.3291 -40.9295 PRESSAVG: 144200 36.2959 -58.1405 -53.7238 -58.1405 2.69131 0.507776 -53.7238 0.507776 -19.2565 GPRESSAVG: 144200 33.7391 -57.7249 -53.9948 -59.4954 3.79453 -0.945401 -53.6805 3.14342 -17.9959 TIMING: 144200 CPU: 454.975, 0.00317738/step Wall: 454.975, 0.00317738/step, 4.28575 hours remaining, 233.500000 MB of memory in use. ENERGY: 144200 4000.8811 20490.8078 14525.6093 251.2208 -203746.4544 2750.9159 0.0000 0.0000 52220.1799 -109506.8397 300.1101 -161727.0196 -109149.5693 299.0172 78.1703 109.9959 761733.7855 6.5769 6.5126 LDB: ============= START OF LOAD BALANCING ============== 467.513 LDB: ============== END OF LOAD BALANCING =============== 467.513 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 467.515 LDB: ============= START OF LOAD BALANCING ============== 467.835 LDB: Largest compute 7029 load 0.031874 is 16.3% of average load 0.194948 LDB: Average compute 0.004364 is 2.2% of average load 0.194948 LDB: TIME 467.838 LOAD: AVG 0.194948 MAX 0.216408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.598 MB LDB: TIME 467.839 LOAD: AVG 0.194948 MAX 0.216408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.598 MB LDB: TIME 467.839 LOAD: AVG 0.194948 MAX 0.216408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.598 MB LDB: ============== END OF LOAD BALANCING =============== 467.841 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 467.845 PRESSURE: 144400 44.229 56.7011 13.0979 56.7012 4.65288 -199.824 13.0984 -199.825 272.101 GPRESSURE: 144400 172.022 73.9871 -62.9084 -63.0953 -48.7085 -215.647 -53.9977 -240.365 289.255 PRESSAVG: 144400 -51.5735 -11.5795 12.7918 -11.5796 7.31313 -31.0128 12.7919 -31.0129 -12.531 GPRESSAVG: 144400 -50.5776 -10.8506 13.915 -12.2825 7.33083 -29.1958 14.7226 -30.4805 -13.2399 TIMING: 144400 CPU: 455.629, 0.00326905/step Wall: 455.629, 0.00326905/step, 4.40922 hours remaining, 232.390625 MB of memory in use. ENERGY: 144400 4035.4258 20479.1367 14519.4340 254.5004 -203744.4156 2897.3095 0.0000 0.0000 52224.6216 -109333.9875 300.1356 -161558.6091 -108968.7251 298.8596 106.9941 137.5229 763067.5473 -18.9304 -18.8289 PRESSURE: 144600 40.5453 -33.053 289.515 -33.0529 288.523 -23.2259 289.515 -23.2256 260.282 GPRESSURE: 144600 158.483 -127.897 236.421 25.6446 242.958 70.6254 290.444 -28.1505 255.563 PRESSAVG: 144600 7.76747 -10.7615 26.113 -10.7615 15.4329 -11.3964 26.113 -11.3963 20.3454 GPRESSAVG: 144600 8.77241 -12.0816 26.0176 -8.69086 14.7565 -10.2386 23.1713 -12.4745 19.3145 TIMING: 144600 CPU: 456.261, 0.00316299/step Wall: 456.261, 0.00316299/step, 4.266 hours remaining, 232.390625 MB of memory in use. ENERGY: 144600 4083.1323 20641.8878 14491.3077 258.4984 -203728.4549 2992.5273 0.0000 0.0000 52008.2888 -109252.8127 298.8924 -161261.1014 -108894.5056 299.8647 196.4499 219.0016 761964.8159 14.5153 14.2812 PRESSURE: 144800 231.235 257.858 38.6262 257.859 141.405 60.3557 38.6272 60.3563 74.3933 GPRESSURE: 144800 205.944 247.866 52.3499 161.918 214.093 63.1513 100.118 -180.574 120.438 PRESSAVG: 144800 79.6949 3.51523 -5.14739 3.51519 -39.5915 -31.2179 -5.14737 -31.2178 0.553888 GPRESSAVG: 144800 78.0266 3.72018 -5.67065 1.53028 -38.8148 -31.1596 -4.02268 -32.8849 1.65394 TIMING: 144800 CPU: 456.898, 0.00318146/step Wall: 456.898, 0.00318146/step, 4.29073 hours remaining, 232.390625 MB of memory in use. ENERGY: 144800 3970.0564 20579.8432 14441.0026 256.4399 -203239.8301 2679.8749 0.0000 0.0000 51761.9296 -109550.6835 297.4765 -161312.6131 -109192.2699 299.3424 149.0112 180.1583 762186.1491 13.5524 13.6219 PRESSURE: 145000 207.062 -343.461 -78.1891 -343.46 88.4139 56.5876 -78.1897 56.5866 153.299 GPRESSURE: 145000 271.106 -320.997 -2.00924 -197.838 113.863 112.287 -89.4338 125.817 143.298 PRESSAVG: 145000 66.3877 -8.65637 -0.783498 -8.65642 -24.6017 -17.3262 -0.783532 -17.3262 -26.6672 GPRESSAVG: 145000 67.4931 -8.91651 1.16753 -8.83848 -24.0933 -18.979 -1.0313 -15.3084 -28.0607 TIMING: 145000 CPU: 457.533, 0.00317507/step Wall: 457.533, 0.00317507/step, 4.28194 hours remaining, 232.390625 MB of memory in use. ENERGY: 145000 4031.7850 20446.3854 14457.9585 237.1457 -203845.4906 2974.8569 0.0000 0.0000 51955.2764 -109742.0827 298.5877 -161697.3591 -109379.3707 299.0905 149.5916 176.0889 759961.5823 5.0396 5.1130 PRESSURE: 145200 -322.201 53.5671 139.169 53.5667 -290.702 -152.362 139.168 -152.362 -145.919 GPRESSURE: 145200 -271.793 77.8102 138.92 58.3303 -347.074 -159.623 82.2975 -12.2256 -45.367 PRESSAVG: 145200 104.043 -40.9793 15.4004 -40.9793 -105.289 5.61013 15.4003 5.61023 -12.6162 GPRESSAVG: 145200 104.008 -41.8397 13.4182 -39.1751 -106.01 5.85953 17.9122 8.55386 -11.7019 TIMING: 145200 CPU: 458.165, 0.00316483/step Wall: 458.165, 0.00316483/step, 4.26795 hours remaining, 232.390625 MB of memory in use. ENERGY: 145200 3962.6964 20423.4880 14392.2120 240.0713 -202978.2947 2347.3712 0.0000 0.0000 51739.8209 -109872.6348 297.3495 -161612.4558 -109508.7270 298.1398 -252.9408 -221.4112 761160.3524 -4.6207 -4.5679 PRESSURE: 145400 135.201 -42.1443 -23.5851 -42.1432 132.756 105.182 -23.5842 105.181 -35.5839 GPRESSURE: 145400 190.131 -129.368 4.58916 -25.5098 96.3125 84.6341 -42.7539 97.851 19.2623 PRESSAVG: 145400 6.41102 -47.1284 -53.8192 -47.1283 -63.8845 11.6438 -53.8192 11.6437 21.5573 GPRESSAVG: 145400 5.53134 -46.9631 -52.9747 -46.9162 -63.5428 11.5333 -55.339 7.52261 21.9056 TIMING: 145400 CPU: 458.799, 0.00316782/step Wall: 458.799, 0.00316782/step, 4.27181 hours remaining, 232.390625 MB of memory in use. ENERGY: 145400 3937.0291 20274.4652 14542.4365 264.0470 -203565.9328 2885.6257 0.0000 0.0000 51858.5053 -109803.8239 298.0315 -161662.3292 -109442.9784 298.0595 77.4577 101.9020 761561.5038 -11.9721 -12.0353 PRESSURE: 145600 -141.437 189.161 48.0502 189.161 -290.91 16.2002 48.0493 16.1995 -16.7723 GPRESSURE: 145600 -154.209 218.891 47.7518 8.9122 -181.184 -30.7511 -4.88694 16.4065 -44.9357 PRESSAVG: 145600 52.7864 -27.8685 -31.1034 -27.8685 -18.2191 1.79264 -31.1033 1.79268 6.54305 GPRESSAVG: 145600 53.1726 -28.3008 -32.2588 -27.4352 -17.5295 2.30246 -31.7344 1.91859 5.14928 TIMING: 145600 CPU: 459.434, 0.00317485/step Wall: 459.434, 0.00317485/step, 4.28111 hours remaining, 232.390625 MB of memory in use. ENERGY: 145600 3949.4192 20320.2138 14475.6291 255.7741 -203023.0283 2515.8502 0.0000 0.0000 51861.1873 -109644.9545 298.0470 -161506.1418 -109292.8390 298.4244 -149.7067 -126.7763 762461.2033 13.7035 13.5975 PRESSURE: 145800 222.486 4.47522 -176.071 4.47473 -433.939 -191.895 -176.071 -191.895 -288.275 GPRESSURE: 145800 225.223 27.9206 -176.491 -12.2898 -352.837 -99.7748 -123.474 -124.957 -293.511 PRESSAVG: 145800 68.379 -11.5228 -26.9276 -11.5229 -51.0651 -35.4682 -26.9276 -35.4682 -23.7955 GPRESSAVG: 145800 68.5498 -11.3556 -26.5561 -11.503 -52.5865 -34.1062 -26.5067 -36.7876 -22.5972 TIMING: 145800 CPU: 460.071, 0.00318248/step Wall: 460.071, 0.00318248/step, 4.29122 hours remaining, 232.390625 MB of memory in use. ENERGY: 145800 3987.8063 20394.2121 14435.9461 249.0904 -203473.1075 2610.3619 0.0000 0.0000 52124.8910 -109670.7997 299.5625 -161795.6907 -109306.1573 298.7662 -166.5759 -140.3747 762069.1884 -2.1606 -2.2113 PRESSURE: 146000 -198.615 -71.454 114.493 -71.4541 -213.598 82.4822 114.493 82.4824 355.704 GPRESSURE: 146000 -151.74 -75.7037 74.5737 -147.176 -210.503 101.745 84.3821 69.7047 382.211 PRESSAVG: 146000 29.6708 8.62142 -33.3257 8.62148 -23.3633 -20.9651 -33.3256 -20.9651 6.45513 GPRESSAVG: 146000 28.7913 10.036 -34.2563 7.28443 -23.0921 -22.6105 -33.4342 -18.7003 6.77163 TIMING: 146000 CPU: 460.707, 0.00318072/step Wall: 460.707, 0.00318072/step, 4.28867 hours remaining, 232.390625 MB of memory 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 3961.3776 20357.0985 14459.9854 248.1981 -203346.4680 2575.6046 0.0000 0.0000 52048.2237 -109695.9800 299.1219 -161744.2037 -109330.8862 298.8177 -18.8363 6.6560 762458.7000 4.2542 4.1569 PRESSURE: 146200 -240.629 81.3241 69.4482 81.324 -211.03 -116.905 69.4486 -116.904 -184.148 GPRESSURE: 146200 -200.617 227.18 105.693 37.6338 -187.716 -199.889 22.8405 -30.4054 -163.991 PRESSAVG: 146200 50.6382 -21.869 -11.4804 -21.8691 -32.4683 -12.6049 -11.4804 -12.605 -3.74176 GPRESSAVG: 146200 51.1992 -22.4422 -10.6306 -21.6027 -31.9448 -12.1934 -13.799 -11.3319 -4.45159 TIMING: 146200 CPU: 461.343, 0.00318088/step Wall: 461.343, 0.00318088/step, 4.28871 hours remaining, 232.390625 MB of memory in use. ENERGY: 146200 4022.3848 20465.8960 14483.7405 255.8569 -203196.4352 2407.4200 0.0000 0.0000 51897.2852 -109663.8518 298.2544 -161561.1371 -109303.2246 298.5255 -211.9356 -184.1081 762829.4633 4.8094 4.9343 PRESSURE: 146400 84.1252 55.0281 -124.474 55.0286 -143.394 -103.208 -124.474 -103.208 308.123 GPRESSURE: 146400 131.629 2.44421 -159.772 33.596 -108.11 -110.107 -136.605 -48.4882 302.682 PRESSAVG: 146400 108.102 -35.0996 -65.1952 -35.0995 -96.4065 3.73191 -65.1952 3.73187 22.9908 GPRESSAVG: 146400 108.128 -37.2671 -65.2809 -34.9063 -95.9314 4.15796 -64.4402 3.34255 22.4965 TIMING: 146400 CPU: 461.971, 0.0031411/step Wall: 461.971, 0.0031411/step, 4.2349 hours remaining, 232.390625 MB of memory in use. ENERGY: 146400 4004.0473 20506.6362 14408.3643 260.5736 -203291.1500 2633.9329 0.0000 0.0000 51625.7871 -109851.8087 296.6941 -161477.5958 -109485.5800 298.4873 82.9514 108.7335 762634.6300 11.5622 11.5644 PRESSURE: 146600 -271.966 -270.217 -168.495 -270.217 171.031 79.782 -168.494 79.7826 -83.7709 GPRESSURE: 146600 -242.941 -282.497 -109.073 -321.834 199.541 10.5326 -69.6917 98.3487 -58.047 PRESSAVG: 146600 55.9927 10.0556 -38.3546 10.0556 -53.3846 -0.511934 -38.3545 -0.512045 8.71851 GPRESSAVG: 146600 56.2649 13.6351 -38.0376 10.4191 -54.7276 -1.16811 -38.148 -2.0044 9.21588 TIMING: 146600 CPU: 462.6, 0.00314654/step Wall: 462.6, 0.00314654/step, 4.24206 hours remaining, 232.390625 MB of memory in use. ENERGY: 146600 3958.2158 20350.4083 14372.3351 273.2543 -202999.2822 2543.6289 0.0000 0.0000 51738.4407 -109762.9990 297.3415 -161501.4398 -109399.6636 298.0417 -61.5687 -33.8157 762885.8453 3.7755 3.5844 PRESSURE: 146800 167.506 91.6093 71.7279 91.6096 -198.383 35.0737 71.7277 35.0715 -53.4149 GPRESSURE: 146800 255.112 204.761 -35.4581 171.919 -169.98 115.456 49.8813 9.71455 -90.7141 PRESSAVG: 146800 20.7912 -52.4544 -22.2211 -52.4544 -27.1622 -15.7614 -22.2211 -15.7614 5.27152 GPRESSAVG: 146800 21.4849 -54.1561 -23.2731 -52.2373 -27.4086 -15.195 -22.2635 -15.6208 4.49916 TIMING: 146800 CPU: 463.227, 0.00313284/step Wall: 463.227, 0.00313284/step, 4.22342 hours remaining, 232.390625 MB of memory in use. ENERGY: 146800 3987.5587 20472.3577 14413.6197 244.7306 -203814.4482 2764.3707 0.0000 0.0000 51983.4601 -109948.3507 298.7497 -161931.8108 -109592.2496 298.0269 -28.0971 -1.8606 761628.9524 -0.3665 -0.4748 PRESSURE: 147000 491.712 -45.5741 139.571 -45.5744 -170.552 -96.3205 139.571 -96.3208 5.3097 GPRESSURE: 147000 437.731 -116.904 144.927 -105.192 -76.1954 -135.554 115.842 57.8114 53.2145 PRESSAVG: 147000 82.6096 -29.1325 -32.0891 -29.1324 -51.6311 -18.529 -32.0891 -18.529 -10.2911 GPRESSAVG: 147000 80.0784 -29.0911 -31.4009 -31.0073 -51.702 -19.1753 -29.5222 -18.2589 -8.30122 TIMING: 147000 CPU: 463.86, 0.00316292/step Wall: 463.86, 0.00316292/step, 4.2638 hours remaining, 232.390625 MB of memory in use. ENERGY: 147000 4021.5050 20406.1490 14450.1212 225.4753 -204258.5377 3128.0914 0.0000 0.0000 52141.2637 -109885.9321 299.6566 -162027.1958 -109525.6423 298.1547 108.8232 138.2501 761626.2555 6.8958 6.6917 PRESSURE: 147200 223.584 -145.788 43.6052 -145.788 -183.857 3.53899 43.6056 3.53876 196.639 GPRESSURE: 147200 247.195 -27.0043 59.2852 -79.0455 -108.696 -5.06112 -52.2776 -66.9064 198.965 PRESSAVG: 147200 51.1522 22.0982 18.5115 22.0982 -39.8162 16.6961 18.5115 16.6961 -0.412128 GPRESSAVG: 147200 51.8733 22.4936 18.0336 24.3767 -40.3786 16.9204 15.9684 18.0656 -0.16878 TIMING: 147200 CPU: 464.499, 0.00319522/step Wall: 464.499, 0.00319522/step, 4.30716 hours remaining, 232.390625 MB of memory in use. ENERGY: 147200 3978.1678 20495.5557 14392.3522 221.6112 -203787.7265 2979.5980 0.0000 0.0000 51829.9511 -109890.4905 297.8674 -161720.4416 -109545.8470 298.3516 78.7885 112.4882 760583.9872 3.6413 3.7753 PRESSURE: 147400 -211.497 -148.406 14.1184 -148.406 -81.7191 -18.1536 14.1183 -18.1543 33.1345 GPRESSURE: 147400 -254.815 -81.578 5.93345 -43.3511 33.6431 -20.8071 10.6207 -28.8716 46.7172 PRESSAVG: 147400 37.3789 -16.9634 -23.7045 -16.9634 17.9619 -1.09153 -23.7045 -1.09151 13.7967 GPRESSAVG: 147400 37.9925 -16.5086 -24.1358 -17.9657 18.8544 -1.8184 -23.5549 -0.90302 12.4715 TIMING: 147400 CPU: 465.13, 0.00315648/step Wall: 465.13, 0.00315648/step, 4.25476 hours remaining, 232.390625 MB of memory in use. ENERGY: 147400 3954.6014 20354.1165 14354.6025 248.1839 -203297.1124 2640.3527 0.0000 0.0000 52230.2669 -109514.9884 300.1681 -161745.2553 -109143.5602 298.5637 -86.6940 -58.1515 761082.4113 23.0458 23.1061 PRESSURE: 147600 330.593 -110.577 -17.9316 -110.578 -117.931 -234.984 -17.9316 -234.985 84.7382 GPRESSURE: 147600 327.264 -80.0562 16.9849 -67.0553 -77.9759 -198.665 -28.127 -105.068 124.013 PRESSAVG: 147600 33.1581 -27.1149 -45.0431 -27.1148 -36.4944 -35.6618 -45.0432 -35.6618 10.7271 GPRESSAVG: 147600 34.0359 -27.5224 -43.0887 -26.9672 -37.8006 -36.1837 -45.6594 -35.8867 11.5383 TIMING: 147600 CPU: 465.761, 0.00315461/step Wall: 465.761, 0.00315461/step, 4.25207 hours remaining, 232.390625 MB of memory in use. ENERGY: 147600 4011.5905 20372.1790 14420.4306 273.5310 -203606.0438 2832.5598 0.0000 0.0000 52171.8961 -109523.8569 299.8326 -161695.7530 -109168.2853 298.5019 99.1336 124.4337 759977.7091 2.4636 2.5912 PRESSURE: 147800 -77.9083 -68.1974 -163.485 -68.1981 -77.9595 -221.492 -163.485 -221.492 182.779 GPRESSURE: 147800 -56.279 -141.746 -107.212 -123.628 -43.8646 -176.435 -207.769 -207.605 208.706 PRESSAVG: 147800 24.0407 -20.0214 -30.8532 -20.0214 -10.1357 -42.6964 -30.8532 -42.6963 4.99173 GPRESSAVG: 147800 23.517 -19.9356 -31.5777 -20.0428 -8.18512 -41.9464 -29.0459 -45.0278 3.68496 TIMING: 147800 CPU: 466.388, 0.00313802/step Wall: 466.388, 0.00313802/step, 4.22953 hours remaining, 232.390625 MB of memory in use. ENERGY: 147800 3981.6228 20517.5467 14375.8062 252.4674 -203352.8250 2754.1616 0.0000 0.0000 52059.6688 -109411.5516 299.1876 -161471.2203 -109054.6908 298.8324 8.9703 36.1876 761970.3187 6.2989 6.3389 PRESSURE: 148000 79.9709 120.926 12.4338 120.926 55.1241 40.1774 12.4337 40.1763 86.346 GPRESSURE: 148000 95.1705 169.336 81.954 25.426 102.704 51.3757 -158.756 67.2287 132.566 PRESSAVG: 148000 -4.37344 -41.1712 8.24 -41.1712 -15.1256 -43.7646 8.23995 -43.7646 -2.28048 GPRESSAVG: 148000 -5.15394 -41.5076 7.98857 -39.9911 -15.364 -42.4872 5.87292 -42.0807 -1.36755 TIMING: 148000 CPU: 467.02, 0.00315995/step Wall: 467.02, 0.00315995/step, 4.25891 hours remaining, 232.390625 MB of memory 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 3911.5592 20348.2257 14499.0841 238.2456 -203383.9061 2685.8071 0.0000 0.0000 52150.5603 -109550.4241 299.7100 -161700.9845 -109186.0338 299.1114 73.8137 110.1469 761279.0497 -7.2599 -7.2952 PRESSURE: 148200 12.4763 -70.6991 128.895 -70.6994 28.4041 -37.2626 128.895 -37.2618 53.0599 GPRESSURE: 148200 53.865 -62.7189 103.505 -74.1997 85.1506 28.9947 100.935 35.679 50.6661 PRESSAVG: 148200 20.6885 3.07572 -22.1757 3.07572 5.84793 -21.2765 -22.1757 -21.2765 -0.0902003 GPRESSAVG: 148200 22.4509 3.79889 -22.0683 3.83669 5.46466 -21.7373 -20.7839 -22.216 -1.35306 TIMING: 148200 CPU: 467.654, 0.00316851/step Wall: 467.654, 0.00316851/step, 4.27027 hours remaining, 232.390625 MB of memory in use. ENERGY: 148200 3996.6643 20389.5654 14380.0213 262.5970 -203196.0513 2622.5119 0.0000 0.0000 51888.3289 -109656.3625 298.2029 -161544.6914 -109289.9045 298.8057 31.3134 63.2272 762158.1416 8.8154 8.8542 LDB: ============= START OF LOAD BALANCING ============== 480.187 LDB: ============== END OF LOAD BALANCING =============== 480.187 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 480.188 LDB: ============= START OF LOAD BALANCING ============== 480.504 LDB: Largest compute 7026 load 0.031919 is 16.4% of average load 0.194970 LDB: Average compute 0.004367 is 2.2% of average load 0.194970 LDB: TIME 480.508 LOAD: AVG 0.19497 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.109 MB LDB: TIME 480.508 LOAD: AVG 0.19497 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.109 MB LDB: TIME 480.508 LOAD: AVG 0.19497 MAX 0.212914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.109 MB LDB: ============== END OF LOAD BALANCING =============== 480.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 480.515 PRESSURE: 148400 -76.0198 -144.039 50.0448 -144.04 63.8425 -71.8401 50.0443 -71.841 -153.805 GPRESSURE: 148400 -131.055 -102.618 39.0708 -235.525 78.3209 -26.03 105.455 -19.7692 -46.9802 PRESSAVG: 148400 -20.6978 7.1664 26.2172 7.16643 25.0837 -15.2961 26.2173 -15.296 16.4245 GPRESSAVG: 148400 -21.8747 6.08093 26.9387 6.54705 23.8635 -16.8923 25.2908 -12.864 18.2337 TIMING: 148400 CPU: 468.298, 0.00321999/step Wall: 468.298, 0.00321999/step, 4.33947 hours remaining, 233.933594 MB of memory in use. ENERGY: 148400 4007.6009 20488.6280 14368.0894 253.2766 -203051.9854 2465.5026 0.0000 0.0000 51872.8791 -109596.0088 298.1141 -161468.8879 -109230.2788 297.9580 -55.3276 -33.2380 761455.4756 6.9368 6.7408 PRESSURE: 148600 -103.862 11.4302 -180.592 11.43 -130.723 -82.5931 -180.592 -82.5939 -69.1575 GPRESSURE: 148600 -135.264 21.5956 -196.732 -95.0173 -72.4962 -8.01251 -183.251 -135.825 -4.85923 PRESSAVG: 148600 -29.4047 0.853957 35.8446 0.854023 -16.1581 28.2132 35.8446 28.2132 7.46728 GPRESSAVG: 148600 -30.3642 1.12151 35.159 1.27463 -13.8389 30.3087 36.7023 22.7724 6.42714 TIMING: 148600 CPU: 468.932, 0.00317122/step Wall: 468.932, 0.00317122/step, 4.27357 hours remaining, 234.398438 MB of memory in use. ENERGY: 148600 3916.9755 20414.8242 14405.5297 254.4189 -203068.3761 2493.1493 0.0000 0.0000 51989.0190 -109594.4596 298.7816 -161583.4786 -109228.7697 298.2726 -101.2473 -70.8731 761787.3875 -12.6985 -12.5920 PRESSURE: 148800 168.865 -157.052 43.5295 -157.051 -15.1113 211.391 43.5304 211.39 -414.486 GPRESSURE: 148800 178.125 -102.21 -27.3676 -145.782 31.2129 222.335 47.8177 164.434 -382.865 PRESSAVG: 148800 -27.2905 -14.5364 24.172 -14.5364 25.7605 24.4891 24.1719 24.4891 -3.06278 GPRESSAVG: 148800 -26.0497 -14.1573 25.4999 -14.4544 24.0165 21.7544 24.2241 26.2603 -2.54252 TIMING: 148800 CPU: 469.566, 0.00316608/step Wall: 469.566, 0.00316608/step, 4.26647 hours remaining, 234.398438 MB of memory in use. ENERGY: 148800 3951.8548 20439.5274 14443.8760 254.9334 -203172.0990 2741.0219 0.0000 0.0000 51608.6704 -109732.2151 296.5957 -161340.8855 -109374.1800 297.9217 -86.9109 -57.8424 762124.2466 -1.5309 -1.5252 PRESSURE: 149000 -327.41 -17.3164 58.5131 -17.3167 -273.778 61.5961 58.5133 61.5964 495.609 GPRESSURE: 149000 -302.609 21.9688 92.8379 69.0281 -181.583 154.946 -101.779 38.4945 454.606 PRESSAVG: 149000 -2.19659 -7.68864 60.5517 -7.68859 -24.1695 19.406 60.5517 19.4059 -20.796 GPRESSAVG: 149000 -1.54623 -8.3066 58.806 -7.18036 -25.5193 20.662 59.5102 19.8673 -20.4644 TIMING: 149000 CPU: 470.202, 0.00318038/step Wall: 470.202, 0.00318038/step, 4.28556 hours remaining, 234.398438 MB of memory in use. ENERGY: 149000 3905.3253 20462.8179 14416.4283 246.1730 -202877.8948 2274.2507 0.0000 0.0000 51829.6200 -109743.2796 297.8655 -161572.8997 -109388.8899 297.8175 -35.1929 -9.8621 761974.9281 -15.7207 -15.8433 PRESSURE: 149200 -152.779 -129.747 297.892 -129.747 -123.796 233.225 297.892 233.224 -281.581 GPRESSURE: 149200 -187.179 -161.165 275.605 -141.543 -98.3019 178.033 141.905 228.886 -204.116 PRESSAVG: 149200 32.6213 -39.5747 87.4394 -39.5748 -62.6105 -22.0538 87.4394 -22.0538 8.27356 GPRESSAVG: 149200 31.8564 -39.6696 88.0043 -41.7905 -60.7051 -21.1511 88.6408 -23.3749 6.76309 TIMING: 149200 CPU: 470.839, 0.00318517/step Wall: 470.839, 0.00318517/step, 4.29184 hours remaining, 234.398438 MB of memory in use. ENERGY: 149200 4016.7553 20559.3142 14425.2155 250.4876 -203425.8871 2623.8666 0.0000 0.0000 51816.9210 -109733.3269 297.7926 -161550.2480 -109375.8724 298.1938 -186.0517 -163.1989 761346.3682 -7.2386 -7.3619 PRESSURE: 149400 -390.408 -149.632 1.71643 -149.632 166.485 -185.27 1.71604 -185.27 -165.765 GPRESSURE: 149400 -502.405 -72.83 -52.7525 -46.8011 332.989 -177.787 -73.9713 -194.693 -140.933 PRESSAVG: 149400 -34.1735 -58.8291 21.4188 -58.8291 8.26116 -9.40781 21.4187 -9.40783 -20.8894 GPRESSAVG: 149400 -34.3516 -58.7352 21.2456 -58.652 7.76441 -10.527 21.0358 -6.67295 -19.7285 TIMING: 149400 CPU: 471.474, 0.00317727/step Wall: 471.474, 0.00317727/step, 4.28102 hours remaining, 234.398438 MB of memory in use. ENERGY: 149400 4006.8033 20452.2892 14469.8655 270.3116 -203449.9255 2781.2480 0.0000 0.0000 51825.9617 -109643.4463 297.8445 -161469.4080 -109292.7097 298.5993 -129.8964 -103.4493 760992.5255 -15.6006 -15.4386 PRESSURE: 149600 36.4932 -45.9887 -216.866 -45.9888 504.528 -60.0588 -216.867 -60.0585 10.3274 GPRESSURE: 149600 120.357 8.54327 -149.022 -31.7518 443.564 -71.0557 -198.799 1.27093 58.7358 PRESSAVG: 149600 -27.1856 47.9501 27.2351 47.9501 16.8046 -47.3646 27.235 -47.3645 -7.78971 GPRESSAVG: 149600 -28.5869 49.4497 26.8551 47.9649 18.0179 -46.0664 27.3128 -48.8551 -8.01962 TIMING: 149600 CPU: 472.108, 0.00316979/step Wall: 472.108, 0.00316979/step, 4.27076 hours remaining, 234.398438 MB of memory in use. ENERGY: 149600 4012.9897 20430.1935 14481.9312 258.4218 -203413.5068 2740.6087 0.0000 0.0000 51762.1925 -109727.1696 297.4780 -161489.3621 -109352.7716 298.1685 183.7829 207.5524 761092.2751 -6.0569 -6.1962 PRESSURE: 149800 -146.431 -152.748 -9.23707 -152.748 -403.718 3.43039 -9.2359 3.43048 -383.372 GPRESSURE: 149800 -177.826 -127.113 -100.097 -139.384 -302.466 2.3707 -68.9012 92.3789 -363.549 PRESSAVG: 149800 33.7957 -22.4241 -4.27213 -22.4241 4.42853 32.1502 -4.27215 32.1502 25.657 GPRESSAVG: 149800 35.2928 -22.5986 -2.8136 -20.7076 3.34934 31.4882 -3.99965 32.7698 25.246 TIMING: 149800 CPU: 472.742, 0.00316818/step Wall: 472.742, 0.00316818/step, 4.26842 hours remaining, 234.492188 MB of memory in use. ENERGY: 149800 3964.6973 20288.8167 14418.7337 258.2333 -202802.7153 2195.3100 0.0000 0.0000 51908.5825 -109768.3418 298.3193 -161676.9243 -109393.3234 298.2733 -311.1735 -281.2805 761499.1444 21.2937 21.2960 PRESSURE: 150000 26.9254 -24.637 -7.65266 -24.6375 -25.174 36.0965 -7.65155 36.0966 160.964 GPRESSURE: 150000 -9.78554 12.5116 -27.6896 32.8391 35.323 -18.0171 -111.685 100.637 227.548 PRESSAVG: 150000 20.5389 -21.9441 -11.4746 -21.9441 -38.6496 32.0742 -11.4746 32.0741 6.45272 GPRESSAVG: 150000 18.136 -23.0041 -12.7875 -21.7683 -37.837 33.0573 -11.5461 30.9196 7.70522 TIMING: 150000 CPU: 473.374, 0.00316168/step Wall: 473.374, 0.00316168/step, 4.25949 hours remaining, 234.492188 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: 150000 3962.7098 20443.2208 14408.5016 251.9901 -203252.9468 2628.1985 0.0000 0.0000 51888.2764 -109670.0496 298.2026 -161558.3260 -109301.9825 298.2757 54.2383 84.3619 761759.1802 -3.8860 -3.9986 PRESSURE: 150200 176.364 3.1694 1.05252 3.16959 334.207 -86.0761 1.05254 -86.0758 35.2998 GPRESSURE: 150200 241.335 32.6896 -33.9444 70.9326 339.008 -84.3115 63.643 -52.0455 44.193 PRESSAVG: 150200 -27.2218 11.2605 19.0672 11.2605 6.90194 47.2692 19.0672 47.2692 -0.509417 GPRESSAVG: 150200 -25.8855 12.5418 19.2982 9.59063 6.23746 47.083 18.4364 49.2605 -0.651488 TIMING: 150200 CPU: 474.004, 0.00315059/step Wall: 474.004, 0.00315059/step, 4.24437 hours remaining, 234.492188 MB of memory in use. ENERGY: 150200 3955.6898 20484.5861 14467.2351 252.1807 -203541.6310 2829.9560 0.0000 0.0000 51891.1690 -109660.8144 298.2193 -161551.9834 -109304.2998 298.3779 181.9570 208.1790 761122.1717 -6.9431 -6.7665 PRESSURE: 150400 -346.898 140.852 121.304 140.852 -176.686 15.1182 121.304 15.1178 -66.0516 GPRESSURE: 150400 -322.247 62.1068 125.523 140.561 -108.194 -23.9901 144.031 -34.6156 -81.1009 PRESSAVG: 150400 40.5908 -16.9977 53.9304 -16.9977 -14.8361 20.11 53.9304 20.1101 -16.4003 GPRESSAVG: 150400 40.952 -17.4941 54.5729 -15.4383 -14.6434 19.0191 53.8657 20.2392 -17.1299 TIMING: 150400 CPU: 474.636, 0.00315785/step Wall: 474.636, 0.00315785/step, 4.25397 hours remaining, 234.492188 MB of memory in use. ENERGY: 150400 3971.0666 20627.2291 14481.4680 266.6389 -203065.4591 2313.3836 0.0000 0.0000 51947.4460 -109458.2268 298.5427 -161405.6728 -109095.6781 298.6803 -196.5453 -170.5142 761844.9604 3.1181 3.0596 PRESSURE: 150600 60.3137 58.5428 -263.565 58.5436 -357.602 -86.4959 -263.565 -86.4958 433.915 GPRESSURE: 150600 99.6969 -97.0037 -299.037 46.0504 -248.521 21.1131 -213.137 4.43469 370.863 PRESSAVG: 150600 34.0125 -7.82464 19.1761 -7.82471 -54.3677 38.4288 19.1761 38.4287 -2.11482 GPRESSAVG: 150600 33.2972 -7.69437 18.9355 -8.9928 -53.7027 39.9355 20.571 36.0056 -2.39073 TIMING: 150600 CPU: 475.263, 0.0031372/step Wall: 475.263, 0.0031372/step, 4.22599 hours remaining, 234.492188 MB of memory in use. ENERGY: 150600 4062.2008 20526.4244 14409.1440 274.7269 -202667.5709 2179.9442 0.0000 0.0000 51824.2793 -109390.8513 297.8348 -161215.1306 -109028.5767 298.7643 45.5421 74.0131 761484.8587 -7.4900 -7.5987 PRESSURE: 150800 7.87189 92.8907 93.0388 92.8908 -228.294 77.9746 93.0391 77.9737 -374.719 GPRESSURE: 150800 38.4258 20.0155 74.7257 81.6114 -156.939 61.9077 -36.3829 71.6475 -396.416 PRESSAVG: 150800 25.6442 6.4764 -16.9909 6.47641 -17.1555 19.4759 -16.9908 19.4758 -5.5981 GPRESSAVG: 150800 27.5869 6.77505 -16.2983 7.20312 -18.8518 18.5402 -17.9489 21.3423 -6.03667 TIMING: 150800 CPU: 475.895, 0.00315737/step Wall: 475.895, 0.00315737/step, 4.25298 hours remaining, 234.492188 MB of memory in use. ENERGY: 150800 3977.4340 20538.5980 14451.5714 260.3642 -203272.3867 2676.7537 0.0000 0.0000 51897.4917 -109470.1738 298.2556 -161367.6655 -109115.1158 298.7659 -198.3801 -171.6431 760583.1950 0.9635 0.8995 PRESSURE: 151000 207.012 197.025 272.207 197.025 332.263 -134.753 272.206 -134.754 -159.604 GPRESSURE: 151000 221.777 137.279 226.87 138.827 380.336 -33.6161 285.601 -174.401 -148.21 PRESSAVG: 151000 12.6996 -27.9223 -2.95349 -27.9222 -17.3722 -9.76953 -2.95345 -9.76962 -2.92423 GPRESSAVG: 151000 11.9112 -28.3109 -3.87424 -28.859 -16.8797 -9.56618 -0.985364 -11.5814 -2.63654 TIMING: 151000 CPU: 476.529, 0.00316999/step Wall: 476.529, 0.00316999/step, 4.2698 hours remaining, 234.492188 MB of memory in use. ENERGY: 151000 3985.6904 20460.4468 14481.8272 254.6570 -203425.3600 2697.4836 0.0000 0.0000 52022.8652 -109522.3898 298.9761 -161545.2550 -109165.0568 298.7779 126.5566 151.3012 760195.2967 -2.5323 -2.5350 PRESSURE: 151200 -54.3513 45.4625 -2.48455 45.4624 3.61896 -45.4167 -2.48413 -45.4174 122.911 GPRESSURE: 151200 -13.8204 8.10266 50.2488 89.286 33.1459 -102.249 -71.4399 -33.3099 139.611 PRESSAVG: 151200 49.7864 -19.8574 14.9694 -19.8573 -5.23617 -74.5101 14.9694 -74.51 9.72899 GPRESSAVG: 151200 50.6024 -20.921 14.7382 -18.8877 -5.63023 -77.7942 13.9241 -69.633 9.32287 TIMING: 151200 CPU: 477.156, 0.0031343/step Wall: 477.156, 0.0031343/step, 4.22155 hours remaining, 234.492188 MB of memory in use. ENERGY: 151200 3943.5673 20449.2748 14487.1411 241.1411 -202951.0138 2589.7684 0.0000 0.0000 51896.9056 -109343.2155 298.2522 -161240.1211 -108990.7270 299.1007 24.0594 52.9790 763528.1306 18.0931 18.0983 PRESSURE: 151400 -34.1236 28.3673 139.891 28.3674 255.171 61.8844 139.891 61.8839 370.26 GPRESSURE: 151400 30.2978 -26.9551 125.667 -112.264 328.531 7.08033 58.9729 106.886 310.772 PRESSAVG: 151400 3.47546 -29.737 -16.1957 -29.7369 -10.6243 59.6559 -16.1957 59.6559 14.8839 GPRESSAVG: 151400 2.28759 -29.8583 -16.8871 -30.9723 -9.6658 62.6964 -15.761 57.8637 15.396 TIMING: 151400 CPU: 477.784, 0.00314294/step Wall: 477.784, 0.00314294/step, 4.23302 hours remaining, 234.492188 MB of memory in use. ENERGY: 151400 3976.9054 20452.9542 14478.6471 258.9017 -203071.9164 2591.5263 0.0000 0.0000 51873.5464 -109439.4352 298.1180 -161312.9816 -109077.4965 299.1477 197.1024 223.2000 761454.5849 2.5783 2.6726 PRESSURE: 151600 395.146 -66.2654 113.017 -66.2647 -57.1977 -286.558 113.017 -286.559 -201.753 GPRESSURE: 151600 327.147 -101.604 63.0352 -98.8847 -19.9742 -339.589 153.064 -231.772 -91.9607 PRESSAVG: 151600 -2.85917 -5.80538 -33.2496 -5.80536 -11.1447 -16.8164 -33.2496 -16.8165 -11.2845 GPRESSAVG: 151600 -2.52232 -5.97864 -32.7961 -4.64543 -11.3976 -16.7514 -33.653 -19.2297 -11.1188 TIMING: 151600 CPU: 478.421, 0.00318392/step Wall: 478.421, 0.00318392/step, 4.28803 hours remaining, 234.492188 MB of memory in use. ENERGY: 151600 3938.0292 20538.5398 14520.7269 244.2554 -203001.6596 2416.1088 0.0000 0.0000 52102.3547 -109241.6448 299.4329 -161343.9995 -108878.9275 299.1382 45.3985 71.7372 762682.8792 -8.4295 -8.3462 PRESSURE: 151800 346.335 56.795 -90.2958 56.7949 282.652 -8.54197 -90.2966 -8.54197 -49.8119 GPRESSURE: 151800 352.318 43.0109 -169.385 73.75 323.719 -5.64398 134.939 -7.43648 -26.032 PRESSAVG: 151800 6.10592 62.8988 -16.6627 62.8988 16.919 -3.56012 -16.6628 -3.5602 1.80926 GPRESSAVG: 151800 5.42991 64.1718 -15.5365 61.673 17.1219 -3.41272 -17.4664 -3.6229 2.30437 TIMING: 151800 CPU: 479.056, 0.00317369/step Wall: 479.056, 0.00317369/step, 4.27407 hours remaining, 234.492188 MB of memory in use. ENERGY: 151800 3979.7916 20586.4696 14408.0654 242.3531 -203467.3642 2893.3216 0.0000 0.0000 52222.7229 -109134.6400 300.1247 -161357.3629 -108773.6326 299.4478 193.0584 216.6683 761484.0825 8.2781 8.2854 PRESSURE: 152000 -43.2427 78.4451 276.392 78.4451 -249.247 53.8232 276.392 53.8232 48.6625 GPRESSURE: 152000 120.708 133.189 300.55 -72.0088 -306.543 -7.01803 122.291 73.4724 27.0951 PRESSAVG: 152000 -16.612 -20.6003 37.7914 -20.6003 32.7323 32.7581 37.7914 32.758 -12.9891 GPRESSAVG: 152000 -16.2853 -19.0326 36.9546 -20.0474 32.5241 33.1333 36.7743 32.2266 -12.9816 TIMING: 152000 CPU: 479.695, 0.00319486/step Wall: 479.695, 0.00319486/step, 4.30241 hours remaining, 234.492188 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: 152000 4068.6008 20588.2419 14442.8270 260.7055 -203070.9126 2652.7014 0.0000 0.0000 52011.2137 -109046.6222 298.9092 -161057.8359 -108701.2882 299.5070 -81.2756 -52.9132 761623.9000 1.0437 1.0857 PRESSURE: 152200 -57.3472 -95.5485 57.8215 -95.5482 -55.3448 24.4375 57.8206 24.4362 -105.205 GPRESSURE: 152200 12.7329 -3.06462 34.9641 -40.3442 -143.45 87.9669 24.9118 -97.8189 1.32383 PRESSAVG: 152200 40.8955 -7.93781 -1.77728 -7.93788 -38.3933 1.25663 -1.77725 1.25662 12.0537 GPRESSAVG: 152200 41.5079 -10.5123 -0.169418 -6.77175 -40.0087 0.214684 1.67199 0.928071 13.6514 TIMING: 152200 CPU: 480.327, 0.00316425/step Wall: 480.327, 0.00316425/step, 4.26101 hours remaining, 234.492188 MB of memory in use. ENERGY: 152200 4064.4132 20454.6696 14400.0914 239.7569 -203241.1923 2665.3920 0.0000 0.0000 52112.9275 -109303.9417 299.4937 -161416.8691 -108937.7314 299.5946 -72.6323 -43.1310 760805.5217 4.8520 5.0502 LDB: ============= START OF LOAD BALANCING ============== 492.862 LDB: ============== END OF LOAD BALANCING =============== 492.862 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 492.863 LDB: ============= START OF LOAD BALANCING ============== 493.181 LDB: Largest compute 7030 load 0.030454 is 15.6% of average load 0.194893 LDB: Average compute 0.004368 is 2.2% of average load 0.194893 LDB: TIME 493.185 LOAD: AVG 0.194893 MAX 0.218149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.574 MB LDB: TIME 493.185 LOAD: AVG 0.194893 MAX 0.218149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: TIME 493.185 LOAD: AVG 0.194893 MAX 0.216912 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.574 MB LDB: ============== END OF LOAD BALANCING =============== 493.187 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 493.192 PRESSURE: 152400 121.367 -103.071 116.03 -103.071 -152.853 57.9412 116.03 57.9403 69.9071 GPRESSURE: 152400 174.842 -101.149 58.9245 -117.25 -127.434 81.5947 11.9289 -25.4613 68.6448 PRESSAVG: 152400 -21.2823 18.7299 8.00976 18.73 19.9362 30.2646 8.00974 30.2646 -11.387 GPRESSAVG: 152400 -20.8691 19.2712 6.17242 17.3433 20.8646 29.9922 6.52802 31.7307 -13.3236 TIMING: 152400 CPU: 480.975, 0.00323941/step Wall: 480.975, 0.00323941/step, 4.36204 hours remaining, 232.621094 MB of memory in use. ENERGY: 152400 3872.0752 20439.6188 14428.5134 275.3720 -203187.6881 2690.3398 0.0000 0.0000 52249.4013 -109232.3677 300.2780 -161481.7690 -108864.4454 298.9099 12.8071 38.6844 762387.6368 -4.2444 -4.4427 PRESSURE: 152600 9.23537 -104.53 -157.258 -104.53 -29.0555 -336.399 -157.258 -336.398 -375.725 GPRESSURE: 152600 -34.1654 -65.7241 -64.0431 -25.4994 44.9319 -377.447 -98.2604 -237.157 -343.391 PRESSAVG: 152600 -57.0888 -21.1716 0.44762 -21.1716 85.6845 -17.0752 0.447694 -17.0753 9.84823 GPRESSAVG: 152600 -57.6709 -19.6305 1.48171 -19.3935 86.0715 -16.6658 1.11724 -16.2373 9.90522 TIMING: 152600 CPU: 481.613, 0.00318973/step Wall: 481.613, 0.00318973/step, 4.29498 hours remaining, 232.765625 MB of memory in use. ENERGY: 152600 3939.3775 20454.5999 14377.2722 241.0107 -203302.4205 2807.5027 0.0000 0.0000 52157.6413 -109325.0163 299.7507 -161482.6576 -108963.7623 298.9087 -131.8483 -110.8748 763883.6061 12.8146 12.7686 PRESSURE: 152800 -309.964 35.1405 43.006 35.1403 -113.611 69.9391 43.0053 69.9384 13.7445 GPRESSURE: 152800 -312.348 78.9931 92.9261 117.364 -49.1206 88.5173 2.28562 79.7071 9.03259 PRESSAVG: 152800 29.0446 32.862 -19.3977 32.8621 -31.9547 -24.6935 -19.3977 -24.6935 20.9222 GPRESSAVG: 152800 28.8287 32.6187 -18.4167 32.9772 -31.6686 -24.7744 -20.7667 -23.6046 20.3225 TIMING: 152800 CPU: 482.252, 0.00319151/step Wall: 482.252, 0.00319151/step, 4.29719 hours remaining, 232.824219 MB of memory in use. ENERGY: 152800 3934.7566 20401.3562 14510.7429 261.8968 -203142.9515 2595.0201 0.0000 0.0000 51984.7750 -109454.4040 298.7572 -161439.1789 -109091.3534 298.4163 -136.6104 -117.4786 763177.0393 6.0040 5.8275 PRESSURE: 153000 -269.615 261.561 -258.728 261.561 165.576 -160.116 -258.728 -160.117 -284.127 GPRESSURE: 153000 -273.982 131.978 -209.843 248.978 172.88 -50.5411 -346.834 -171.75 -226.985 PRESSAVG: 153000 -22.8153 -9.44108 25.43 -9.44109 -16.4302 -20.9986 25.43 -20.9985 13.7163 GPRESSAVG: 153000 -22.3507 -9.7733 24.23 -11.1159 -18.5797 -19.9544 24.9353 -24.1349 15.0444 TIMING: 153000 CPU: 482.892, 0.00320064/step Wall: 482.892, 0.00320064/step, 4.3093 hours remaining, 232.824219 MB of memory in use. ENERGY: 153000 3948.7553 20524.6743 14449.7992 242.7161 -203464.0207 2768.5976 0.0000 0.0000 52032.7179 -109496.7602 299.0327 -161529.4781 -109130.8903 298.5628 -129.3888 -109.3626 762411.2734 -8.5097 -8.6287 PRESSURE: 153200 -51.164 -224.934 111.947 -224.934 -325.671 -11.6842 111.947 -11.6834 65.8435 GPRESSURE: 153200 -52.3337 -75.6541 -7.23624 -151.251 -289.438 16.4399 185.586 53.7701 111.255 PRESSAVG: 153200 19.3826 11.1535 21.0279 11.1535 10.2881 -29.4756 21.028 -29.4755 -16.6319 GPRESSAVG: 153200 19.237 10.1914 20.9437 13.7487 11.9474 -30.9173 21.6698 -26.7917 -17.9288 TIMING: 153200 CPU: 483.53, 0.00319206/step Wall: 483.53, 0.00319206/step, 4.29758 hours remaining, 232.824219 MB of memory in use. ENERGY: 153200 3973.2591 20401.1329 14469.4050 260.8391 -203494.9250 2620.1273 0.0000 0.0000 52129.6556 -109640.5060 299.5898 -161770.1616 -109268.4135 298.4750 -103.6639 -76.8390 761053.7143 4.3462 4.4186 PRESSURE: 153400 218.533 -89.1747 -19.3305 -89.1756 -284.318 323.308 -19.3302 323.307 -145.405 GPRESSURE: 153400 239.236 -65.7218 -51.8612 -66.4695 -216.614 269.405 -86.0327 380.144 -155.867 PRESSAVG: 153400 23.2358 -46.5 -5.61999 -46.4999 -10.7424 -1.64331 -5.61999 -1.64335 -15.8836 GPRESSAVG: 153400 23.223 -45.3115 -4.88854 -46.8629 -10.5653 -1.04227 -4.59215 -1.55376 -16.1886 TIMING: 153400 CPU: 484.172, 0.00320773/step Wall: 484.172, 0.00320773/step, 4.3185 hours remaining, 232.824219 MB of memory in use. ENERGY: 153400 3944.9093 20498.8519 14483.3885 246.4004 -203088.0605 2507.4468 0.0000 0.0000 52058.5225 -109348.5410 299.1810 -161407.0635 -108983.8297 299.1690 -70.3967 -44.4148 762351.1846 -1.1301 -1.1770 PRESSURE: 153600 162.386 -89.5572 -175.118 -89.5573 85.5701 -22.4846 -175.119 -22.4841 192.128 GPRESSURE: 153600 311.301 -85.0046 -147.608 -128.459 91.8862 -51.0354 -193.554 -45.102 110.58 PRESSAVG: 153600 63.3505 6.34345 8.942 6.34349 -30.2798 0.210209 8.94195 0.210325 15.2627 GPRESSAVG: 153600 64.3254 5.92676 7.34788 5.74309 -31.2556 -0.926162 7.8692 -0.83834 15.3645 TIMING: 153600 CPU: 484.805, 0.00316677/step Wall: 484.805, 0.00316677/step, 4.26318 hours remaining, 232.824219 MB of memory in use. ENERGY: 153600 3902.6257 20518.0586 14353.7369 249.3845 -203348.1029 2756.4135 0.0000 0.0000 52237.0377 -109330.8460 300.2070 -161567.8837 -108962.7133 298.9598 146.6947 171.2559 761073.5722 16.1111 16.1448 PRESSURE: 153800 346.842 -22.9651 131.086 -22.9657 109.628 -33.5277 131.087 -33.5266 -68.0357 GPRESSURE: 153800 318.901 -30.2489 109.485 -79.3302 159.117 -5.60963 89.7314 5.51507 -22.8678 PRESSAVG: 153800 67.9374 -26.5827 42.5235 -26.5827 -54.5738 -20.898 42.5235 -20.8981 19.2594 GPRESSAVG: 153800 65.6204 -25.2042 42.5403 -28.0987 -53.1031 -20.3816 42.7169 -21.2803 20.133 TIMING: 153800 CPU: 485.437, 0.0031584/step Wall: 485.437, 0.0031584/step, 4.25174 hours remaining, 232.824219 MB of memory in use. ENERGY: 153800 4044.7255 20762.3946 14408.2585 263.1023 -203494.8232 2698.2919 0.0000 0.0000 52324.2014 -108993.8490 300.7079 -161318.0504 -108638.6603 299.5925 129.4780 151.7168 762314.8714 10.8743 10.8834 PRESSURE: 154000 -218.293 -7.53086 -16.9052 -7.53116 -271.225 -145.348 -16.904 -145.348 -164.646 GPRESSURE: 154000 -140.515 -79.0888 -93.7938 -71.589 -207.156 -155.639 -24.8013 30.875 -217.651 PRESSAVG: 154000 18.5448 -21.6695 4.94483 -21.6695 -31.6061 14.0371 4.94476 14.0371 -1.79654 GPRESSAVG: 154000 20.6338 -26.1188 5.17625 -19.8664 -32.1056 14.164 6.55773 15.5006 -3.08105 TIMING: 154000 CPU: 486.071, 0.00317263/step Wall: 486.071, 0.00317263/step, 4.27071 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: 154000 4031.6919 20526.4890 14497.3770 248.4800 -202905.1790 2435.1044 0.0000 0.0000 52055.0835 -109110.9531 299.1613 -161166.0366 -108740.5548 299.4685 -218.0545 -188.4407 763174.4437 -4.9526 -4.8509 PRESSURE: 154200 505.08 -4.415 -25.4467 -4.41481 54.2109 -201.049 -25.4466 -201.049 -69.1234 GPRESSURE: 154200 514.068 -7.93674 -63.5169 23.5868 36.1838 -198.88 47.8994 -176.998 23.8676 PRESSAVG: 154200 -4.02788 -21.1239 -28.6533 -21.1239 -46.0386 14.6505 -28.6533 14.6506 -28.7289 GPRESSAVG: 154200 -4.1514 -17.9728 -28.1936 -21.128 -45.4731 14.8583 -28.5606 11.3453 -28.3054 TIMING: 154200 CPU: 486.708, 0.00318595/step Wall: 486.708, 0.00318595/step, 4.28847 hours remaining, 232.824219 MB of memory in use. ENERGY: 154200 4012.5454 20528.6305 14389.8883 250.7905 -203375.4751 2877.6083 0.0000 0.0000 52139.9004 -109176.1117 299.6487 -161316.0122 -108817.2445 299.3041 163.3892 191.3730 763029.5681 -26.2651 -25.9766 PRESSURE: 154400 221.738 -75.6473 -80.4282 -75.6458 136.459 57.8565 -80.4281 57.8562 254.35 GPRESSURE: 154400 202.203 -132.032 -48.5332 102.402 205.308 74.6829 -99.8645 -7.48761 288.976 PRESSAVG: 154400 40.8188 7.93176 -52.9475 7.93183 6.37299 -70.0065 -52.9475 -70.0064 -5.64023 GPRESSAVG: 154400 40.3815 8.53368 -53.2603 7.56215 5.82488 -69.6205 -53.5684 -69.6321 -4.64261 TIMING: 154400 CPU: 487.347, 0.0031944/step Wall: 487.347, 0.0031944/step, 4.29966 hours remaining, 232.824219 MB of memory in use. ENERGY: 154400 4025.4605 20540.0627 14343.5977 246.4410 -203551.8617 2986.0106 0.0000 0.0000 52026.3034 -109383.9858 298.9959 -161410.2892 -109021.4391 299.3353 204.1821 232.1623 760726.0894 13.8505 13.8546 PRESSURE: 154600 10.5246 125.208 -34.2776 125.209 -88.2766 -26.3152 -34.2769 -26.3147 48.659 GPRESSURE: 154600 8.17876 88.905 -107.155 -3.48452 -65.0353 -145.407 -19.1656 147.186 104.622 PRESSAVG: 154600 9.3466 16.7531 -37.2963 16.7531 -36.4862 -36.7575 -37.2964 -36.7575 24.1585 GPRESSAVG: 154600 8.77442 16.7538 -38.774 17.1717 -37.4233 -38.3142 -38.8215 -34.9177 25.0097 TIMING: 154600 CPU: 487.982, 0.00317569/step Wall: 487.982, 0.00317569/step, 4.27431 hours remaining, 232.835938 MB of memory in use. ENERGY: 154600 4027.0458 20560.2665 14422.9988 232.0240 -203363.1562 2637.8485 0.0000 0.0000 52035.8737 -109447.0989 299.0509 -161482.9726 -109085.8799 299.4989 -9.6976 15.9218 761396.6159 -0.9937 -1.2131 PRESSURE: 154800 -198.436 -122.067 67.8005 -122.067 -41.7163 -189.948 67.8009 -189.948 58.8054 GPRESSURE: 154800 -192.914 -123.284 101.915 -52.145 -20.4468 -206.47 77.6234 -182.581 97.7474 PRESSAVG: 154800 38.5138 -25.0312 17.4597 -25.0311 -11.1638 -22.0413 17.4597 -22.0413 15.2126 GPRESSAVG: 154800 37.9677 -26.1079 19.655 -25.7315 -10.5137 -21.404 16.3356 -22.4736 14.4106 TIMING: 154800 CPU: 488.621, 0.00319082/step Wall: 488.621, 0.00319082/step, 4.29449 hours remaining, 232.835938 MB of memory in use. ENERGY: 154800 4102.2099 20613.9600 14385.8401 244.1525 -203473.0363 3001.6414 0.0000 0.0000 51958.1411 -109167.0912 298.6042 -161125.2323 -108807.7578 299.0899 -60.4488 -38.5379 761583.7635 14.1875 13.9549 PRESSURE: 155000 209.461 -155.739 -106.268 -155.74 -345.045 -69.1921 -106.269 -69.1916 61.2128 GPRESSURE: 155000 180.736 -50.3735 -32.5983 -174.761 -280.565 -6.33802 -44.892 8.38436 124.191 PRESSAVG: 155000 50.7873 -19.8136 -52.6318 -19.8136 -49.3043 -18.0435 -52.6318 -18.0435 16.9217 GPRESSAVG: 155000 52.116 -19.2269 -53.7317 -18.8127 -49.5107 -17.7898 -49.2792 -17.5747 16.2524 TIMING: 155000 CPU: 489.255, 0.00317384/step Wall: 489.255, 0.00317384/step, 4.27145 hours remaining, 232.835938 MB of memory in use. ENERGY: 155000 4005.4408 20593.6446 14430.0264 237.7578 -203011.7914 2616.4326 0.0000 0.0000 52007.6039 -109120.8853 298.8884 -161128.4892 -108755.3398 299.4055 -24.7905 8.1208 763515.2238 6.1349 6.2859 PRESSURE: 155200 75.8303 61.0249 -38.4227 61.0253 -227.268 228.334 -38.4227 228.334 288.859 GPRESSURE: 155200 97.7521 -87.4838 -85.3574 26.6254 -213.487 184.438 -107.889 243.267 346.014 PRESSAVG: 155200 11.4091 26.9244 -23.1021 26.9245 -36.614 40.8716 -23.102 40.8716 -10.5937 GPRESSAVG: 155200 10.944 26.2238 -23.1907 26.1329 -36.5907 41.5804 -24.6292 40.7658 -10.8795 TIMING: 155200 CPU: 489.893, 0.00318776/step Wall: 489.893, 0.00318776/step, 4.29001 hours remaining, 232.835938 MB of memory in use. ENERGY: 155200 4064.5926 20483.7183 14544.7204 262.3666 -203208.8136 2642.6141 0.0000 0.0000 52222.4808 -108988.3208 300.1233 -161210.8016 -108625.3112 299.7594 45.8072 76.7596 762875.9928 -11.9329 -12.1754 PRESSURE: 155400 190.781 56.5905 -5.99178 56.5913 -56.278 -39.082 -5.99215 -39.0819 -325.787 GPRESSURE: 155400 253.118 134.24 84.879 -27.2773 -102.704 11.6085 -4.40338 -0.244294 -252.381 PRESSAVG: 155400 52.0641 10.5459 8.05095 10.5459 -38.7062 -16.9596 8.05091 -16.9596 -9.16571 GPRESSAVG: 155400 51.8745 12.2551 8.93528 11.5471 -39.1552 -16.7905 8.00921 -18.2366 -8.22539 TIMING: 155400 CPU: 490.531, 0.00319053/step Wall: 490.531, 0.00319053/step, 4.29357 hours remaining, 232.835938 MB of memory in use. ENERGY: 155400 3969.9821 20556.5689 14497.3567 269.9030 -203436.9990 2776.9332 0.0000 0.0000 52459.7339 -108906.5212 301.4868 -161366.2551 -108551.4770 299.6904 -63.7612 -33.9891 762261.5686 1.3974 1.4980 PRESSURE: 155600 295.585 92.1727 -90.2389 92.174 70.0708 91.9606 -90.2379 91.9593 451.066 GPRESSURE: 155600 307.648 9.87347 -79.4061 130.694 176.22 75.8657 -66.561 -51.5358 410.843 PRESSAVG: 155600 47.6251 9.29969 0.7627 9.29975 -110.448 -20.3194 0.762648 -20.3195 12.5925 GPRESSAVG: 155600 47.6151 7.4495 0.256921 8.45011 -109.82 -21.4881 -0.183104 -20.5629 12.0131 TIMING: 155600 CPU: 491.169, 0.00319231/step Wall: 491.169, 0.00319231/step, 4.29578 hours remaining, 232.835938 MB of memory in use. ENERGY: 155600 4054.7959 20576.5627 14487.3753 257.0219 -203024.6681 2767.3455 0.0000 0.0000 52236.3270 -108645.2397 300.2029 -160881.5667 -108284.4556 300.5079 272.2407 298.2367 762196.6569 -16.7433 -16.7307 PRESSURE: 155800 -13.9393 41.2882 -113.363 41.2886 268.618 -53.2789 -113.363 -53.2804 94.3649 GPRESSURE: 155800 83.2369 -53.0496 -105.925 -12.5139 228.316 -5.07053 -106.322 -78.5708 121.867 PRESSAVG: 155800 53.5104 -7.14431 -16.8297 -7.1443 -46.0241 15.3234 -16.8298 15.3234 3.49382 GPRESSAVG: 155800 54.5467 -7.24059 -15.8942 -6.59544 -47.0722 16.129 -16.3876 15.7622 3.83487 TIMING: 155800 CPU: 491.802, 0.00316225/step Wall: 491.802, 0.00316225/step, 4.25515 hours remaining, 232.835938 MB of memory in use. ENERGY: 155800 3977.5842 20544.1562 14395.0822 276.8764 -203053.8182 2724.0986 0.0000 0.0000 52396.5774 -108739.4432 301.1239 -161136.0205 -108367.9709 300.7102 116.3478 144.4730 761660.7614 3.6600 3.7698 PRESSURE: 156000 65.906 -74.8266 177.165 -74.8278 109.179 -80.2551 177.165 -80.2541 84.6396 GPRESSURE: 156000 89.575 -109.482 266.012 -19.9685 110.241 19.9995 109.236 -24.9208 141.286 PRESSAVG: 156000 -24.0979 -17.2823 -33.5938 -17.2823 6.06728 -10.1663 -33.5939 -10.1664 -16.6064 GPRESSAVG: 156000 -25.0066 -17.1083 -34.1484 -16.2601 6.88993 -9.342 -34.0258 -10.4418 -16.6936 TIMING: 156000 CPU: 492.437, 0.00317702/step Wall: 492.437, 0.00317702/step, 4.27486 hours remaining, 232.835938 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: 156000 4062.2799 20443.7104 14451.9850 269.6361 -202843.6016 2792.8173 0.0000 0.0000 52174.1848 -108648.9881 299.8458 -160823.1729 -108285.0348 300.7483 86.5749 113.7007 763365.5415 -11.5457 -11.6034 PRESSURE: 156200 6.87432 -9.33615 33.9276 -9.33634 -49.1895 -25.6889 33.9283 -25.6878 252.315 GPRESSURE: 156200 -78.4863 -22.7454 10.0963 -3.33466 90.0306 -48.0323 32.5152 -127.946 272.24 PRESSAVG: 156200 38.531 -28.1665 -76.3227 -28.1664 -13.192 -13.7059 -76.3226 -13.7059 20.9793 GPRESSAVG: 156200 40.0344 -27.4618 -76.9081 -28.8293 -13.6191 -15.4712 -76.0432 -11.9441 20.2715 TIMING: 156200 CPU: 493.066, 0.00314379/step Wall: 493.066, 0.00314379/step, 4.22997 hours remaining, 232.835938 MB of memory in use. ENERGY: 156200 3977.0133 20514.6310 14491.9916 236.3116 -202446.7022 2389.6380 0.0000 0.0000 52077.7669 -108759.3498 299.2916 -160837.1167 -108391.4097 300.5438 69.9999 94.5946 761788.7808 15.4394 15.5623 LDB: ============= START OF LOAD BALANCING ============== 505.599 LDB: ============== END OF LOAD BALANCING =============== 505.599 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 505.6 LDB: ============= START OF LOAD BALANCING ============== 505.918 LDB: Largest compute 7030 load 0.031607 is 16.2% of average load 0.194975 LDB: Average compute 0.004403 is 2.3% of average load 0.194975 LDB: TIME 505.921 LOAD: AVG 0.194975 MAX 0.213858 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.199 MB LDB: TIME 505.922 LOAD: AVG 0.194975 MAX 0.213858 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.199 MB LDB: TIME 505.922 LOAD: AVG 0.194975 MAX 0.213858 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.199 MB LDB: ============== END OF LOAD BALANCING =============== 505.924 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 505.929 PRESSURE: 156400 -306.472 51.8747 -143.974 51.8756 78.1566 31.7869 -143.973 31.7861 -491.116 GPRESSURE: 156400 -196.221 95.9167 -138.938 64.0461 29.3833 -53.6912 -75.8859 -61.8048 -483.379 PRESSAVG: 156400 33.918 -13.6442 -10.543 -13.6443 -31.4007 4.05396 -10.543 4.05402 -34.4118 GPRESSAVG: 156400 33.3986 -14.4641 -10.2325 -12.1892 -31.4663 3.74663 -9.59077 1.75871 -33.6088 TIMING: 156400 CPU: 493.712, 0.0032291/step Wall: 493.712, 0.0032291/step, 4.34457 hours remaining, 232.886719 MB of memory in use. ENERGY: 156400 4081.6184 20550.3739 14451.1705 270.2621 -202636.9072 2480.8244 0.0000 0.0000 52177.5379 -108625.1200 299.8650 -160802.6579 -108264.3258 300.3803 -239.8105 -216.7389 762401.1503 -10.6315 -10.5588 PRESSURE: 156600 324.698 -252.963 -26.9502 -252.964 444.203 -262.519 -26.9509 -262.52 -56.5713 GPRESSURE: 156600 378.514 -129.076 -123.278 -208.332 400.89 -281.212 18.0905 -182.654 -6.6693 PRESSAVG: 156600 47.3703 17.0899 -33.4629 17.09 -0.136074 -14.225 -33.4629 -14.225 34.0723 GPRESSAVG: 156600 46.4975 19.4659 -33.0753 16.0652 -0.277991 -13.3823 -33.2862 -13.2275 34.6059 TIMING: 156600 CPU: 494.343, 0.003157/step Wall: 494.343, 0.003157/step, 4.2474 hours remaining, 232.953125 MB of memory in use. ENERGY: 156600 3949.0068 20592.3997 14369.8491 274.3756 -203466.6715 3197.4156 0.0000 0.0000 52255.3259 -108828.2988 300.3121 -161083.6247 -108471.7705 300.4116 237.4433 257.5783 763184.1161 27.1022 26.9418 PRESSURE: 156800 -148.788 79.2282 -221.043 79.2274 -200.683 -124.948 -221.044 -124.948 294.932 GPRESSURE: 156800 -162.77 1.95973 -199.383 -18.1404 -161.881 -224.991 -141.892 -83.9005 362.965 PRESSAVG: 156800 -15.7039 40.8878 -91.4378 40.8877 -16.2816 -6.39711 -91.4379 -6.39716 -12.9026 GPRESSAVG: 156800 -14.594 38.4933 -89.6473 40.0124 -17.2507 -7.79492 -92.6563 -6.89377 -12.4634 TIMING: 156800 CPU: 494.974, 0.00315318/step Wall: 494.974, 0.00315318/step, 4.24208 hours remaining, 232.953125 MB of memory in use. ENERGY: 156800 3959.6901 20435.2548 14458.9513 228.4653 -203052.3884 2708.8534 0.0000 0.0000 52205.7902 -109055.3833 300.0274 -161261.1735 -108681.9934 300.2758 -18.1796 12.7715 764600.1341 -14.9627 -14.7694 PRESSURE: 157000 -120.517 6.02881 -72.8267 6.02954 17.7106 -100.207 -72.8269 -100.208 86.2927 GPRESSURE: 157000 -154.2 -75.6076 -155.988 -18.6684 37.6444 -142.827 -51.9443 -94.4169 169.166 PRESSAVG: 157000 -39.4019 19.0168 -30.4389 19.0168 4.85411 47.4015 -30.4388 47.4014 4.46517 GPRESSAVG: 157000 -41.2054 18.5948 -32.8659 20.1648 7.15225 48.181 -29.9025 47.4878 3.66968 TIMING: 157000 CPU: 495.604, 0.00314996/step Wall: 495.604, 0.00314996/step, 4.23757 hours remaining, 232.953125 MB of memory in use. ENERGY: 157000 3911.7704 20533.1991 14372.8295 235.6038 -202682.7120 2503.5412 0.0000 0.0000 51921.9644 -109203.8035 298.3962 -161125.7679 -108846.5149 299.2261 -5.5045 17.5367 763936.5025 -10.0275 -10.1278 PRESSURE: 157200 -315.208 -3.78175 -141.596 -3.7815 139.003 109.896 -141.595 109.897 120.975 GPRESSURE: 157200 -174.608 92.9262 -94.7981 66.2717 193.747 61.3343 -122.047 151.795 27.2888 PRESSAVG: 157200 -2.18068 0.267709 -53.6616 0.267729 -30.9835 1.67853 -53.6616 1.67863 6.55206 GPRESSAVG: 157200 0.0261868 3.56296 -51.8865 -1.63484 -32.8541 1.03977 -53.7874 1.59281 6.39603 TIMING: 157200 CPU: 496.239, 0.00317403/step Wall: 496.239, 0.00317403/step, 4.26978 hours remaining, 232.953125 MB of memory in use. ENERGY: 157200 3954.0496 20486.1384 14493.1290 240.9728 -203257.4561 2693.8645 0.0000 0.0000 52174.6599 -109214.6419 299.8485 -161389.3017 -108851.5335 299.2648 -18.4098 15.4762 761249.0292 -8.8707 -8.8106 PRESSURE: 157400 -200.858 -58.6175 -24.4481 -58.6172 83.5007 -150.901 -24.4493 -150.901 -74.1571 GPRESSURE: 157400 -30.6061 -53.7976 -27.078 -116.256 23.9754 -184.055 28.571 -146.837 -83.8504 PRESSAVG: 157400 -23.9906 -13.2014 -8.91898 -13.2014 46.0883 5.44657 -8.91906 5.44656 -19.3225 GPRESSAVG: 157400 -23.8992 -14.6837 -10.3626 -12.5438 45.7195 5.60734 -10.6942 6.89253 -18.7672 TIMING: 157400 CPU: 496.878, 0.00319521/step Wall: 496.878, 0.00319521/step, 4.29809 hours remaining, 232.953125 MB of memory in use. ENERGY: 157400 3919.1624 20499.9544 14430.3826 235.5452 -203111.0018 2481.2129 0.0000 0.0000 52217.9935 -109326.7509 300.0975 -161544.7444 -108958.8784 299.0991 -63.8382 -30.1604 761612.8953 0.9251 1.0177 PRESSURE: 157600 117.906 113.648 -359.63 113.648 41.7446 3.68052 -359.629 3.68127 -117.409 GPRESSURE: 157600 68.8811 -7.77531 -368.482 156.531 126.47 7.20626 -310.01 23.0361 -65.4042 PRESSAVG: 157600 9.45179 -33.8991 -89.4462 -33.899 10.2586 -1.68602 -89.4461 -1.68606 6.16001 GPRESSAVG: 157600 10.1721 -35.6011 -88.7781 -32.3057 11.0529 0.245914 -87.7268 -3.12929 5.52227 TIMING: 157600 CPU: 497.516, 0.00319145/step Wall: 497.516, 0.00319145/step, 4.29286 hours remaining, 232.953125 MB of memory in use. ENERGY: 157600 3924.1585 20605.4064 14427.7501 232.5176 -203246.6211 2707.8196 0.0000 0.0000 51774.6532 -109574.3156 297.5496 -161348.9688 -109223.1740 298.9403 14.0807 43.3157 762662.7659 8.6235 8.9157 PRESSURE: 157800 177.323 71.5338 -167.071 71.534 68.865 -17.574 -167.07 -17.5737 449.347 GPRESSURE: 157800 224.826 134.136 -126.361 140.434 147.881 -103.438 -206 -70.3675 402.117 PRESSAVG: 157800 38.1728 5.94436 -41.7579 5.94433 -48.9056 -14.9756 -41.7579 -14.9755 -37.3703 GPRESSAVG: 157800 38.3412 8.51584 -41.4543 5.52442 -49.0284 -15.434 -41.149 -14.8431 -37.2457 TIMING: 157800 CPU: 498.153, 0.00318629/step Wall: 498.153, 0.00318629/step, 4.28574 hours remaining, 232.953125 MB of memory in use. ENERGY: 157800 3912.1170 20530.2449 14416.2000 222.4382 -202979.8656 2755.1089 0.0000 0.0000 51854.4514 -109289.3053 298.0082 -161143.7567 -108929.6929 298.7946 231.8450 258.2746 762189.2847 -16.0344 -15.9777 PRESSURE: 158000 35.9146 -86.461 46.5299 -86.461 -298.209 40.7943 46.5299 40.7942 479.414 GPRESSURE: 158000 49.8203 -110.831 74.0409 -22.7037 -228.797 115.8 140.374 -76.0075 478.766 PRESSAVG: 158000 -9.76032 28.2458 27.5952 28.2458 19.5577 22.5783 27.5953 22.5782 7.15801 GPRESSAVG: 158000 -9.75127 26.2816 25.0351 27.222 20.2629 23.3211 29.7016 20.7528 6.90192 TIMING: 158000 CPU: 498.786, 0.00316149/step Wall: 498.786, 0.00316149/step, 4.2522 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: 158000 3984.6631 20460.1323 14417.4231 238.3927 -202867.5596 2629.5876 0.0000 0.0000 51751.8360 -109385.5247 297.4185 -161137.3607 -109033.0356 299.0787 72.3732 99.9296 764223.5168 5.6518 5.8045 PRESSURE: 158200 -159.984 7.41077 -39.1963 7.4101 -198.89 -180.019 -39.196 -180.017 -191.947 GPRESSURE: 158200 -60.1103 -25.882 -7.74122 7.04029 -248.034 -202.48 -0.695707 -107.327 -154.681 PRESSAVG: 158200 41.1282 -40.8264 -9.70278 -40.8264 -51.631 14.1905 -9.70281 14.1904 -27.5759 GPRESSAVG: 158200 41.0083 -40.0226 -7.10444 -41.6246 -52.4251 14.5768 -12.2812 15.2798 -26.6904 TIMING: 158200 CPU: 499.425, 0.0031987/step Wall: 499.425, 0.0031987/step, 4.30208 hours remaining, 232.953125 MB of memory in use. ENERGY: 158200 3931.5060 20479.8857 14392.2617 223.9392 -202823.9587 2415.6237 0.0000 0.0000 52136.2368 -109244.5055 299.6277 -161380.7423 -108874.4298 299.0405 -183.6069 -154.2751 763625.6548 -12.6929 -12.7024 PRESSURE: 158400 5.08366 -85.8083 184.708 -85.8088 -24.6419 101.67 184.708 101.671 -107.368 GPRESSURE: 158400 105.329 -299.556 229.18 -189.705 -18.1361 118.201 162.074 145.092 -139.458 PRESSAVG: 158400 15.5761 -32.7269 -45.3899 -32.727 35.3323 -16.5469 -45.3899 -16.5469 -2.01679 GPRESSAVG: 158400 15.8814 -32.1206 -45.6856 -33.4681 35.6127 -17.1192 -46.0107 -15.992 -2.37773 TIMING: 158400 CPU: 500.054, 0.00314143/step Wall: 500.054, 0.00314143/step, 4.22488 hours remaining, 232.953125 MB of memory in use. ENERGY: 158400 4020.7381 20535.2871 14462.8381 241.7643 -202901.0838 2545.9841 0.0000 0.0000 51849.1336 -109245.3385 297.9777 -161094.4722 -108893.4412 299.0583 -42.3086 -17.4218 762952.9704 16.2972 16.3721 PRESSURE: 158600 172.906 -195.241 54.8677 -195.24 -227.341 -105.027 54.8676 -105.026 -112.234 GPRESSURE: 158600 167.028 -206.101 55.2815 -117.393 -113.797 -95.4948 92.4326 -26.6684 -124.209 PRESSAVG: 158600 13.1541 -66.2007 -51.9737 -66.2007 -52.3876 27.377 -51.9736 27.3769 -25.0135 GPRESSAVG: 158600 11.841 -66.2836 -54.0334 -65.3748 -51.2676 26.8546 -51.1286 26.9661 -24.8047 TIMING: 158600 CPU: 500.692, 0.00319314/step Wall: 500.692, 0.00319314/step, 4.29424 hours remaining, 232.953125 MB of memory in use. ENERGY: 158600 3988.8046 20353.9528 14492.0757 247.0706 -203186.1054 2676.7480 0.0000 0.0000 52264.8516 -109162.6020 300.3668 -161427.4537 -108794.4113 299.4073 -55.5566 -23.6592 763602.4585 -21.4157 -21.4104 PRESSURE: 158800 72.7604 -157.802 -42.0407 -157.802 -501.984 218.458 -42.0407 218.458 69.1621 GPRESSURE: 158800 91.6221 -73.6592 -21.11 -234.837 -411.062 156.033 8.80389 107.899 17.7244 PRESSAVG: 158800 -14.2829 -22.1134 -49.2801 -22.1134 30.2701 51.437 -49.2801 51.437 -24.8118 GPRESSAVG: 158800 -12.3251 -23.6845 -49.2137 -21.7504 29.3122 51.2695 -48.7865 51.4889 -25.6864 TIMING: 158800 CPU: 501.332, 0.00319717/step Wall: 501.332, 0.00319717/step, 4.29949 hours remaining, 232.953125 MB of memory in use. ENERGY: 158800 3894.7124 20670.3577 14523.7963 272.6898 -203385.6689 2584.5876 0.0000 0.0000 52226.0790 -109213.4461 300.1440 -161439.5251 -108844.5779 299.2739 -120.0204 -100.5717 761457.0845 -2.9415 -2.8998 PRESSURE: 159000 211.072 1.96766 216.843 1.96754 -324.683 -17.4291 216.843 -17.4304 -104.301 GPRESSURE: 159000 170.098 31.4327 229.96 35.1078 -272.925 -9.98068 183.391 24.3378 -32.8077 PRESSAVG: 159000 9.50484 6.38301 -36.8436 6.38298 2.53345 21.2927 -36.8436 21.2928 -8.61847 GPRESSAVG: 159000 7.85723 8.1612 -36.8236 6.41158 4.23887 21.4978 -37.497 21.124 -8.15 TIMING: 159000 CPU: 501.965, 0.00316728/step Wall: 501.965, 0.00316728/step, 4.25911 hours remaining, 232.953125 MB of memory in use. ENERGY: 159000 4014.6396 20455.1215 14459.4224 264.3648 -202771.5323 2294.3723 0.0000 0.0000 51978.1980 -109305.4137 298.7194 -161283.6117 -108941.8768 299.2034 -72.6371 -45.2117 761252.2804 1.1399 1.3154 PRESSURE: 159200 190.427 80.6185 79.3675 80.6178 339.989 17.1598 79.367 17.1607 170.185 GPRESSURE: 159200 269.808 24.0766 107.161 35.2179 292.826 -57.5008 145.183 120.835 220.959 PRESSAVG: 159200 -18.9468 18.5626 5.85351 18.5627 1.09108 11.1632 5.85352 11.1632 -13.764 GPRESSAVG: 159200 -17.2 15.9435 5.84769 19.2108 0.0205372 9.78392 6.57342 14.1288 -13.9594 TIMING: 159200 CPU: 502.602, 0.00318367/step Wall: 502.602, 0.00318367/step, 4.28097 hours remaining, 232.953125 MB of memory in use. ENERGY: 159200 3980.6027 20450.4419 14515.8410 236.9195 -203230.3600 2761.3639 0.0000 0.0000 51914.7339 -109370.4570 298.3547 -161285.1909 -109014.7941 299.0599 233.5336 261.1975 760323.4256 -10.5399 -10.3796 PRESSURE: 159400 43.2612 151.282 87.6408 151.283 -417.081 38.8829 87.6409 38.883 -295.606 GPRESSURE: 159400 105.684 180.584 62.868 92.3932 -413.721 -19.6103 66.1386 -50.6576 -289.734 PRESSAVG: 159400 41.8484 8.97104 -17.2971 8.97102 -33.284 -43.7605 -17.297 -43.7604 -10.4435 GPRESSAVG: 159400 40.7275 10.8646 -17.1892 8.15674 -33.007 -43.5998 -18.1105 -45.2138 -9.01972 TIMING: 159400 CPU: 503.241, 0.00319416/step Wall: 503.241, 0.00319416/step, 4.2949 hours remaining, 232.953125 MB of memory in use. ENERGY: 159400 4024.4513 20457.6270 14401.5929 244.0307 -202786.5555 2265.4330 0.0000 0.0000 52019.0991 -109374.3215 298.9545 -161393.4206 -109019.8455 299.3197 -223.1422 -199.2568 761626.7289 -0.6264 -0.4331 PRESSURE: 159600 128.485 92.8265 -10.4903 92.8268 363.016 53.7366 -10.4903 53.7362 90.7116 GPRESSURE: 159600 120.541 153.124 -89.1099 32.2587 376.122 55.0149 -104.9 -12.2677 176.511 PRESSAVG: 159600 -12.7201 -16.6384 -14.2655 -16.6385 16.8024 -45.6498 -14.2655 -45.6499 11.2661 GPRESSAVG: 159600 -12.844 -16.0788 -14.1195 -16.9441 17.1482 -44.74 -13.8075 -48.2324 11.4269 TIMING: 159600 CPU: 503.875, 0.00317207/step Wall: 503.875, 0.00317207/step, 4.26502 hours remaining, 232.953125 MB of memory in use. ENERGY: 159600 4013.4475 20441.4950 14486.3268 238.7731 -203244.4515 2807.9263 0.0000 0.0000 52080.6246 -109175.8582 299.3081 -161256.4828 -108807.5684 299.2580 194.0709 224.3914 760526.7040 5.1161 5.2437 PRESSURE: 159800 -185.901 -51.5083 50.5837 -51.5084 83.0102 -216.503 50.5847 -216.503 30.7662 GPRESSURE: 159800 -125.557 18.2605 235.853 -114.542 101.091 -147.087 84.0318 -140.699 42.0066 PRESSAVG: 159800 -25.0754 18.5663 -22.149 18.5663 27.709 -46.5534 -22.149 -46.5534 22.9625 GPRESSAVG: 159800 -24.717 17.705 -20.673 20.4484 27.2083 -45.1993 -20.3764 -48.0565 23.2484 TIMING: 159800 CPU: 504.511, 0.00317947/step Wall: 504.511, 0.00317947/step, 4.2748 hours remaining, 232.953125 MB of memory in use. ENERGY: 159800 3988.9198 20481.8275 14495.3804 257.8872 -203139.1132 2569.3841 0.0000 0.0000 51979.5870 -109366.1273 298.7274 -161345.7143 -109007.4637 299.1268 -24.0416 5.8470 762884.6856 8.5320 8.5799 PRESSURE: 160000 -351.624 81.4735 -65.0596 81.4731 -457.193 72.8964 -65.0591 72.896 -399.193 GPRESSURE: 160000 -277.663 24.0204 -117.056 -23.8433 -340.004 173.16 1.87277 120.974 -485.956 PRESSAVG: 160000 -44.4055 2.73624 -6.03085 2.73624 48.1364 17.8202 -6.03089 17.8202 -4.68515 GPRESSAVG: 160000 -44.157 4.53745 -7.99231 0.484715 48.5332 17.1618 -7.77831 20.3238 -5.49304 TIMING: 160000 CPU: 505.152, 0.00320336/step Wall: 505.152, 0.00320336/step, 4.30674 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: 160000 3985.1925 20450.6107 14541.1442 240.9129 -203018.5025 2270.6170 0.0000 0.0000 52100.3813 -109429.6439 299.4216 -161530.0253 -109064.3943 298.9362 -402.6701 -367.8743 763413.0231 -0.3181 -0.3723 PRESSURE: 160200 112.644 92.3528 127.279 92.3528 -170.844 -60.5441 127.28 -60.5435 -179.486 GPRESSURE: 160200 76.3 35.5424 146.99 102.67 -110.866 -145.906 25.4859 106.073 -136.279 PRESSAVG: 160200 27.315 7.76731 -20.5724 7.76722 -29.5872 -62.9832 -20.5724 -62.9832 6.71968 GPRESSAVG: 160200 27.2391 6.53742 -18.6419 9.11827 -29.6102 -64.1536 -20.7929 -59.7809 6.89254 TIMING: 160200 CPU: 505.797, 0.00322728/step Wall: 505.797, 0.00322728/step, 4.33872 hours remaining, 232.953125 MB of memory in use. ENERGY: 160200 4036.5774 20501.0982 14499.6182 247.4716 -203005.2543 2326.3673 0.0000 0.0000 52102.4140 -109291.7075 299.4333 -161394.1215 -108927.9009 299.2795 -79.2287 -56.9483 761099.3663 1.4825 1.5072 LDB: ============= START OF LOAD BALANCING ============== 518.337 LDB: ============== END OF LOAD BALANCING =============== 518.338 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 518.339 LDB: ============= START OF LOAD BALANCING ============== 518.66 LDB: Largest compute 7028 load 0.031697 is 16.3% of average load 0.195026 LDB: Average compute 0.004359 is 2.2% of average load 0.195026 LDB: TIME 518.663 LOAD: AVG 0.195026 MAX 0.212806 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.285 MB LDB: TIME 518.663 LOAD: AVG 0.195026 MAX 0.212806 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.285 MB LDB: TIME 518.664 LOAD: AVG 0.195026 MAX 0.212806 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.285 MB LDB: ============== END OF LOAD BALANCING =============== 518.665 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 518.67 PRESSURE: 160400 249.255 147.455 -34.3776 147.454 26.1843 162.638 -34.3767 162.637 -114.375 GPRESSURE: 160400 299.023 144.602 -49.9716 83.8817 -27.4047 158.873 -82.0689 143.86 -30.5798 PRESSAVG: 160400 57.2565 3.76561 -18.4583 3.76562 -24.0138 21.7747 -18.4583 21.7747 6.19183 GPRESSAVG: 160400 57.8162 3.18299 -17.7179 3.53957 -25.0025 21.1646 -19.3283 18.9433 6.31257 TIMING: 160400 CPU: 506.454, 0.00328187/step Wall: 506.454, 0.00328187/step, 4.41193 hours remaining, 232.601562 MB of memory in use. ENERGY: 160400 3948.8284 20477.3362 14499.4213 248.3595 -203215.9772 2493.2508 0.0000 0.0000 52260.6106 -109288.1705 300.3424 -161548.7811 -108919.1073 299.3351 53.6881 80.3462 761285.1131 13.1449 13.0421 PRESSURE: 160600 -546.706 -33.836 188.448 -33.8363 -259.198 -165.027 188.449 -165.027 -212.494 GPRESSURE: 160600 -486.193 38.8208 190.685 38.2099 -234.573 -136.69 92.9199 -273.408 -195.098 PRESSAVG: 160600 -3.94493 16.4237 -61.8825 16.4237 34.9952 29.3425 -61.8825 29.3425 5.97187 GPRESSAVG: 160600 -4.92554 17.7609 -62.9194 17.6121 36.7001 31.4465 -61.9548 29.0273 6.08315 TIMING: 160600 CPU: 507.091, 0.00318765/step Wall: 507.091, 0.00318765/step, 4.28509 hours remaining, 232.601562 MB of memory in use. ENERGY: 160600 3993.9050 20565.5687 14428.9012 234.9205 -202807.0106 2176.2340 0.0000 0.0000 52035.4978 -109371.9834 299.0487 -161407.4812 -109012.9769 299.5197 -339.4659 -305.2878 762689.3970 12.3407 12.6192 PRESSURE: 160800 -345.692 208.667 -132.359 208.667 22.0749 45.9954 -132.359 45.9959 -233.864 GPRESSURE: 160800 -262.259 105.078 -89.9939 173.589 66.3211 108.181 -70.5957 -113.431 -277.105 PRESSAVG: 160800 16.5076 40.6488 13.6476 40.6488 -0.347033 32.6745 13.6476 32.6746 -11.395 GPRESSAVG: 160800 16.6738 41.568 15.1736 37.6803 0.593339 31.5467 14.514 32.1815 -12.465 TIMING: 160800 CPU: 507.726, 0.00317424/step Wall: 507.726, 0.00317424/step, 4.26688 hours remaining, 232.601562 MB of memory in use. ENERGY: 160800 3996.8435 20608.3239 14500.9465 256.2635 -203262.4247 2407.4870 0.0000 0.0000 52043.9697 -109448.5906 299.0974 -161492.5603 -109090.6655 299.1582 -185.8272 -157.6807 761651.3884 1.5885 1.6007 PRESSURE: 161000 -44.9323 107.158 -138.979 107.158 124.428 -234.643 -138.979 -234.642 131.716 GPRESSURE: 161000 86.7225 178.3 -129.447 138.306 53.3378 -138.51 -196.729 -248.076 142.425 PRESSAVG: 161000 17.529 6.35127 -7.3977 6.3513 -30.3504 -47.7438 -7.39771 -47.7438 12.6269 GPRESSAVG: 161000 17.8251 5.54507 -9.06653 5.5363 -31.5811 -48.0891 -8.30288 -46.5807 13.5066 TIMING: 161000 CPU: 508.357, 0.00315648/step Wall: 508.357, 0.00315648/step, 4.24283 hours remaining, 232.601562 MB of memory in use. ENERGY: 161000 3971.8365 20503.0338 14479.1233 254.9915 -203376.7182 2640.0078 0.0000 0.0000 52061.5585 -109466.1668 299.1985 -161527.7253 -109105.0993 299.1249 70.4041 94.1618 762702.4834 -0.0648 -0.0831 PRESSURE: 161200 -11.8425 17.8084 -36.6056 17.808 47.2577 -159.184 -36.6064 -159.185 157.755 GPRESSURE: 161200 -141.927 54.54 -91.8767 -38.6913 146.285 -173.044 -19.3976 -66.6253 259.08 PRESSAVG: 161200 13.8537 -14.4887 -83.4663 -14.4886 -31.3172 12.0356 -83.4664 12.0355 14.042 GPRESSAVG: 161200 13.6539 -12.5863 -84.7239 -13.3818 -30.7568 12.1004 -80.798 11.593 14.0774 TIMING: 161200 CPU: 508.986, 0.00314219/step Wall: 508.986, 0.00314219/step, 4.22345 hours remaining, 232.601562 MB of memory in use. ENERGY: 161200 4005.3913 20619.1706 14544.3358 259.2583 -203630.0749 2902.5805 0.0000 0.0000 51871.7635 -109427.5749 298.1077 -161299.3384 -109071.6979 299.2940 64.3899 87.8127 762072.7694 -1.1405 -1.0085 PRESSURE: 161400 -230.146 -75.9329 206.475 -75.9331 99.9105 -176.678 206.476 -176.679 212.109 GPRESSURE: 161400 -178.589 3.99857 226.758 -208.46 209.142 -243.772 104.068 -145.823 144.297 PRESSAVG: 161400 36.6258 1.07585 -5.56721 1.07584 -46.4362 17.0292 -5.56718 17.0291 -12.5309 GPRESSAVG: 161400 35.6566 0.690116 -3.89244 1.44649 -45.4939 16.7064 -7.75006 18.1307 -12.6881 TIMING: 161400 CPU: 509.617, 0.00315517/step Wall: 509.617, 0.00315517/step, 4.24073 hours remaining, 232.601562 MB of memory in use. ENERGY: 161400 3987.4427 20462.2742 14473.2588 268.9253 -203177.2358 2816.7527 0.0000 0.0000 52023.6162 -109144.9659 298.9804 -161168.5820 -108778.1507 299.5539 27.2912 58.2835 764058.3479 -7.4471 -7.5085 PRESSURE: 161600 198.873 169.574 -122.207 169.573 329.945 222.748 -122.207 222.747 273.086 GPRESSURE: 161600 304.727 154.126 -205.538 155.08 367.829 189.241 -106.008 251.5 175.315 PRESSAVG: 161600 24.7046 31.3052 -64.3022 31.3052 -2.46007 15.1049 -64.3022 15.1049 19.7155 GPRESSAVG: 161600 25.0941 31.0989 -63.6544 31.3412 -2.66858 16.3216 -64.8523 11.8197 18.9467 TIMING: 161600 CPU: 510.253, 0.00318124/step Wall: 510.253, 0.00318124/step, 4.27559 hours remaining, 232.601562 MB of memory in use. ENERGY: 161600 4048.8642 20614.9835 14364.1385 253.1544 -203064.9408 2597.1947 0.0000 0.0000 51901.7728 -109284.8327 298.2802 -161186.6055 -108919.9376 299.5081 267.3012 282.6237 761781.0527 13.9867 13.7907 PRESSURE: 161800 -262.559 224.707 -137.824 224.708 92.5635 -227.524 -137.824 -227.523 770.431 GPRESSURE: 161800 -204.373 203.203 -63.6656 156.757 126.085 -288.514 24.906 -250.967 778.876 PRESSAVG: 161800 -23.694 28.306 13.9246 28.306 -19.7417 16.4223 13.9246 16.4223 10.7114 GPRESSAVG: 161800 -22.0109 27.6155 12.0379 30.5813 -19.9649 15.629 16.9988 20.1068 9.37265 TIMING: 161800 CPU: 510.894, 0.00320293/step Wall: 510.894, 0.00320293/step, 4.30456 hours remaining, 232.601562 MB of memory in use. ENERGY: 161800 4011.9042 20507.8548 14432.9801 259.3145 -203673.4960 2891.0214 0.0000 0.0000 52476.6808 -109093.7403 301.5842 -161570.4211 -108724.6243 299.5455 200.1451 233.5291 761518.2108 -10.9081 -10.8677 PRESSURE: 162000 -102.872 -79.0725 -3.76045 -79.0724 2.42564 -125.84 -3.7595 -125.84 83.7939 GPRESSURE: 162000 -38.0964 -93.5651 -51.8582 -35.9796 53.7861 -134.698 -136.494 -15.6946 73.6486 PRESSAVG: 162000 -17.0913 18.5716 6.12448 18.5717 7.66146 19.4404 6.12453 19.4403 -6.08844 GPRESSAVG: 162000 -18.0499 19.3378 6.25428 16.8607 7.47986 19.0376 4.44351 20.47 -4.25305 TIMING: 162000 CPU: 511.526, 0.0031638/step Wall: 511.526, 0.0031638/step, 4.2518 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: 162000 3963.6784 20466.0831 14435.1172 225.3334 -203094.5373 2459.8884 0.0000 0.0000 52404.4437 -109139.9931 301.1691 -161544.4368 -108764.0258 299.7350 -5.5507 29.7794 761411.7548 -5.1728 -4.9410 PRESSURE: 162200 -334.807 -32.042 -122.789 -32.0417 11.4909 168.71 -122.79 168.709 -253.974 GPRESSURE: 162200 -370.001 -19.1925 -76.3224 -96.6594 135.217 78.2808 -145.474 299.736 -282.807 PRESSAVG: 162200 56.0369 -39.7923 -34.1468 -39.7922 -6.82832 34.8901 -34.1469 34.8901 -5.73781 GPRESSAVG: 162200 55.2045 -42.322 -33.046 -39.2255 -5.88789 35.29 -35.6267 31.6917 -5.79935 TIMING: 162200 CPU: 512.161, 0.00317446/step Wall: 512.161, 0.00317446/step, 4.26595 hours remaining, 232.601562 MB of memory in use. ENERGY: 162200 4077.6968 20677.9105 14426.3487 241.6563 -203147.5364 2517.3937 0.0000 0.0000 52270.5694 -108935.9609 300.3997 -161206.5304 -108565.9351 300.5025 -192.4303 -172.5303 761882.5842 14.4902 14.5058 PRESSURE: 162400 -139.635 -75.3684 -100.958 -75.3685 -27.6842 -85.379 -100.957 -85.3803 -179.596 GPRESSURE: 162400 -23.1201 -193.569 -88.8466 -55.2711 -68.7678 -81.6403 -24.1834 -171.32 -184.972 PRESSAVG: 162400 27.7389 -31.0167 25.3225 -31.0166 -3.66361 -8.41462 25.3225 -8.41472 6.23651 GPRESSAVG: 162400 28.5836 -28.7287 23.5621 -32.6262 -4.89207 -7.34823 27.2087 -7.98396 5.87015 TIMING: 162400 CPU: 512.795, 0.00316764/step Wall: 512.795, 0.00316764/step, 4.2566 hours remaining, 232.601562 MB of memory in use. ENERGY: 162400 4006.5764 20645.4880 14416.1356 263.0585 -202624.8978 2229.5214 0.0000 0.0000 51933.6138 -109130.5042 298.4632 -161064.1180 -108768.0265 300.0711 -115.6382 -92.2866 762165.5855 10.1039 9.8539 PRESSURE: 162600 -124.826 -46.4159 -142.595 -46.4165 285.412 78.3222 -142.596 78.3218 -423.993 GPRESSURE: 162600 -43.7035 -55.6216 -111.677 -40.162 243.019 64.0184 -1.70632 239.217 -360.618 PRESSAVG: 162600 -25.603 7.50807 -50.411 7.50812 73.6107 -28.2358 -50.4109 -28.2359 3.25868 GPRESSAVG: 162600 -25.7018 5.37767 -48.9448 8.26689 72.7436 -28.6218 -51.4992 -27.361 4.08016 TIMING: 162600 CPU: 513.429, 0.00317056/step Wall: 513.429, 0.00317056/step, 4.26036 hours remaining, 232.601562 MB of memory in use. ENERGY: 162600 4091.5771 20478.7974 14463.3390 239.8012 -203301.5091 2944.4801 0.0000 0.0000 51921.7453 -109161.7689 298.3950 -161083.5143 -108800.8875 299.8881 -87.8023 -53.7676 762217.9672 17.0888 17.0406 PRESSURE: 162800 -160.315 107.739 149.863 107.738 -130.111 -37.4233 149.862 -37.4227 40.1959 GPRESSURE: 162800 -104.197 25.1651 226.204 172.762 -75.8108 -42.6909 102.607 -83.5826 13.5982 PRESSAVG: 162800 -17.2743 12.3969 -36.4129 12.3969 60.1898 -45.6939 -36.4129 -45.694 14.8054 GPRESSAVG: 162800 -15.475 13.8713 -36.0154 10.0969 60.1571 -47.4157 -35.4416 -46.2504 12.9999 TIMING: 162800 CPU: 514.061, 0.00316081/step Wall: 514.061, 0.00316081/step, 4.24708 hours remaining, 232.601562 MB of memory in use. ENERGY: 162800 4041.8024 20651.5887 14449.9653 275.0525 -203337.7023 2593.8838 0.0000 0.0000 52123.7786 -109201.6310 299.5561 -161325.4096 -108832.7698 300.1951 -83.4100 -55.4697 762481.3370 19.2403 19.2273 PRESSURE: 163000 301.813 59.176 2.47814 59.1765 -291.562 -17.9489 2.47849 -17.9495 203.089 GPRESSURE: 163000 302.058 74.917 -101.687 199.787 -320.374 98.4504 54.5062 -5.21422 292.004 PRESSAVG: 163000 23.7768 -23.8579 -55.2809 -23.8578 -42.2933 -67.7654 -55.2809 -67.7654 -3.62224 GPRESSAVG: 163000 22.9532 -25.147 -55.6071 -21.7659 -42.9092 -64.9795 -56.6342 -66.9959 -2.65518 TIMING: 163000 CPU: 514.691, 0.00314914/step Wall: 514.691, 0.00314914/step, 4.23122 hours remaining, 232.601562 MB of memory in use. ENERGY: 163000 3989.5486 20567.9610 14404.2878 261.6014 -203519.7991 2849.3336 0.0000 0.0000 52283.6658 -109163.4010 300.4749 -161447.0668 -108793.7331 300.1292 71.1135 91.2294 761535.6086 -7.3796 -7.5371 PRESSURE: 163200 31.5755 140.26 -110.56 140.26 232.237 -139.115 -110.561 -139.116 -510.824 GPRESSURE: 163200 142.294 20.8133 -149.85 123.808 214.26 -97.4725 -44.2216 5.5341 -520.009 PRESSAVG: 163200 -10.6966 -27.1676 -45.4765 -27.1676 -45.6175 -76.4976 -45.4765 -76.4977 -31.0469 GPRESSAVG: 163200 -11.0972 -25.3916 -46.9225 -26.5551 -45.1961 -77.2128 -44.7442 -76.5061 -31.3104 TIMING: 163200 CPU: 515.32, 0.00314551/step Wall: 515.32, 0.00314551/step, 4.22616 hours remaining, 232.601562 MB of memory in use. ENERGY: 163200 4008.7036 20703.9494 14441.8934 254.2590 -203837.2690 3022.0795 0.0000 0.0000 52103.8884 -109302.4957 299.4418 -161406.3841 -108939.1033 299.3969 -82.3372 -54.4848 763458.0128 -29.1204 -29.2012 PRESSURE: 163400 158.776 21.9904 345.004 21.9912 -33.9498 105.749 345.004 105.749 117.243 GPRESSURE: 163400 140.863 104.009 283.87 40.7312 115.533 107.146 226.572 -9.55228 84.9584 PRESSAVG: 163400 -4.4319 7.74447 47.477 7.74452 43.1117 21.4813 47.477 21.4813 -11.3405 GPRESSAVG: 163400 -4.6663 8.36834 47.3595 5.89155 42.8374 19.8184 46.9257 21.3607 -11.1357 TIMING: 163400 CPU: 515.954, 0.00317064/step Wall: 515.954, 0.00317064/step, 4.25975 hours remaining, 232.601562 MB of memory in use. ENERGY: 163400 4028.9021 20561.9959 14458.1180 247.7551 -203153.1783 2801.0684 0.0000 0.0000 51837.9929 -109217.3459 297.9137 -161055.3388 -108852.8162 299.5607 80.6898 113.7848 763138.0924 9.1131 9.0118 PRESSURE: 163600 -51.067 261.307 -91.9856 261.308 111.39 78.0878 -91.9857 78.0886 19.1826 GPRESSURE: 163600 -4.73861 286.889 -7.60081 223.116 143.321 175.905 -174.758 108.544 32.9938 PRESSAVG: 163600 7.38786 14.2885 13.6059 14.2885 -8.15475 39.8247 13.6059 39.8246 -1.22423 GPRESSAVG: 163600 6.52535 12.2844 13.2435 16.0868 -7.20168 41.2583 14.2819 40.3012 -0.95849 TIMING: 163600 CPU: 516.59, 0.00317794/step Wall: 516.59, 0.00317794/step, 4.26939 hours remaining, 232.601562 MB of memory in use. ENERGY: 163600 3977.4910 20440.6814 14418.5673 243.9117 -202976.4224 2610.6906 0.0000 0.0000 52186.9590 -109098.1214 299.9192 -161285.0804 -108724.7185 299.7355 26.5019 57.1921 762812.4051 -0.6637 -0.5449 PRESSURE: 163800 134.989 15.7333 -102.167 15.7327 -153.479 369.07 -102.166 369.071 -64.5067 GPRESSURE: 163800 160.855 87.0716 -36.3845 32.3825 -135.924 315.816 -70.5187 233.948 -27.0749 PRESSAVG: 163800 28.1098 0.182578 -17.1699 0.182533 -34.5844 49.8604 -17.1698 49.8604 6.73549 GPRESSAVG: 163800 28.2902 0.614495 -16.1336 -0.221836 -35.2059 50.6011 -16.4195 50.282 6.54142 TIMING: 163800 CPU: 517.22, 0.00315113/step Wall: 517.22, 0.00315113/step, 4.2332 hours remaining, 232.601562 MB of memory in use. ENERGY: 163800 4028.8887 20576.2297 14441.5426 252.5207 -203062.9224 2766.3840 0.0000 0.0000 52073.8581 -108923.4984 299.2692 -160997.3566 -108564.9619 299.2323 -27.6656 -0.7144 761870.5735 0.0870 -0.1248 PRESSURE: 164000 -156.565 4.40278 42.3034 4.40299 -67.6244 -152.676 42.3034 -152.677 10.2591 GPRESSURE: 164000 -213.876 -67.5733 137.717 -79.2737 67.8594 -139.585 -25.2391 -126.981 24.2835 PRESSAVG: 164000 -38.0704 15.2788 -3.18148 15.2788 11.756 5.7899 -3.18143 5.78985 15.3128 GPRESSAVG: 164000 -38.9469 14.3955 -4.36686 15.0241 12.7157 5.89121 -3.41139 4.56297 15.4815 TIMING: 164000 CPU: 517.855, 0.0031745/step Wall: 517.855, 0.0031745/step, 4.26441 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: 164000 4002.8485 20536.0841 14473.7183 245.8764 -202925.2036 2509.9090 0.0000 0.0000 52108.3214 -109048.4459 299.4672 -161156.7674 -108696.3067 299.5096 -71.3100 -40.5775 762380.3549 -3.6672 -3.5832 PRESSURE: 164200 153.988 10.7994 1.49336 10.7998 269.006 21.4889 1.4931 21.4895 277.612 GPRESSURE: 164200 138.406 50.2867 28.2636 -60.0573 258.727 89.0313 53.2375 -26.0163 375.552 PRESSAVG: 164200 -35.2195 6.24531 34.9932 6.24531 21.9534 18.3051 34.9933 18.3051 -18.7547 GPRESSAVG: 164200 -36.5454 8.18505 36.8002 4.92765 22.243 17.7692 34.6634 17.8111 -17.5508 TIMING: 164200 CPU: 518.492, 0.00318533/step Wall: 518.492, 0.00318533/step, 4.27878 hours remaining, 232.601562 MB of memory in use. ENERGY: 164200 3968.2953 20504.2376 14454.1367 229.1740 -203082.7265 2392.5572 0.0000 0.0000 52190.5861 -109343.7396 299.9400 -161534.3257 -108979.5081 299.2679 233.5354 257.5617 761391.2691 -10.6736 -10.6177 LDB: ============= START OF LOAD BALANCING ============== 531.028 LDB: ============== END OF LOAD BALANCING =============== 531.028 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 531.03 LDB: ============= START OF LOAD BALANCING ============== 531.347 LDB: Largest compute 7043 load 0.031880 is 16.4% of average load 0.194884 LDB: Average compute 0.004374 is 2.2% of average load 0.194884 LDB: TIME 531.35 LOAD: AVG 0.194884 MAX 0.216177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.398 MB LDB: TIME 531.351 LOAD: AVG 0.194884 MAX 0.216177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.492 MB LDB: TIME 531.351 LOAD: AVG 0.194884 MAX 0.216177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.492 MB LDB: ============== END OF LOAD BALANCING =============== 531.352 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 531.357 PRESSURE: 164400 -166.573 103.228 130.464 103.228 -20.2315 93.0281 130.465 93.0291 26.091 GPRESSURE: 164400 -135.771 48.6405 64.1914 95.3758 -10.0316 89.3371 92.195 -54.9418 54.1035 PRESSAVG: 164400 4.47771 3.14052 37.3406 3.14047 -9.66644 -6.79722 37.3405 -6.79722 1.69179 GPRESSAVG: 164400 6.2198 2.76968 34.4401 4.15991 -9.27518 -6.02988 35.9133 -6.19703 -0.0768287 TIMING: 164400 CPU: 519.14, 0.00324298/step Wall: 519.14, 0.00324298/step, 4.35604 hours remaining, 232.195312 MB of memory in use. ENERGY: 164400 4039.2677 20550.6662 14419.5757 244.9008 -203469.8082 2845.3857 0.0000 0.0000 51935.0820 -109434.9301 298.4716 -161370.0121 -109072.8843 298.8045 -53.5711 -30.5662 763366.4193 -1.1656 -1.0441 PRESSURE: 164600 93.5003 -58.2622 5.11206 -58.2618 157.186 18.4461 5.11152 18.4468 -87.1131 GPRESSURE: 164600 67.0973 -80.1535 103.022 22.2758 191.325 -11.1354 3.15696 -15.0625 -7.54759 PRESSAVG: 164600 15.797 -12.8087 -9.21761 -12.8088 -24.5994 -29.4638 -9.21759 -29.4638 13.8118 GPRESSAVG: 164600 14.9749 -11.4498 -6.60306 -12.1249 -25.4163 -31.1349 -7.13742 -30.121 15.1121 TIMING: 164600 CPU: 519.766, 0.00312888/step Wall: 519.766, 0.00312888/step, 4.20261 hours remaining, 232.265625 MB of memory in use. ENERGY: 164600 3968.0297 20414.9549 14433.4616 252.6449 -203322.8285 2431.1869 0.0000 0.0000 52249.6790 -109572.8716 300.2796 -161822.5506 -109197.4004 298.8126 54.5245 83.6251 762315.9181 1.6698 1.5569 PRESSURE: 164800 -231.337 -6.06509 -77.2635 -6.06551 9.31622 43.576 -77.2627 43.5759 -67.102 GPRESSURE: 164800 -170.999 16.9044 -12.0256 86.6017 -5.4535 26.2976 -69.2539 46.53 -26.2957 PRESSAVG: 164800 -35.7799 -0.901934 -9.36559 -0.90191 46.2321 -12.9714 -9.36561 -12.9714 14.5579 GPRESSAVG: 164800 -35.7754 -2.70724 -10.1666 -0.851401 46.7677 -12.2026 -9.49371 -14.1771 13.7988 TIMING: 164800 CPU: 520.396, 0.00314781/step Wall: 520.396, 0.00314781/step, 4.22785 hours remaining, 232.265625 MB of memory in use. ENERGY: 164800 3967.6513 20654.7875 14491.4236 257.9056 -203477.9680 2723.4486 0.0000 0.0000 51695.7253 -109687.0260 297.0960 -161382.7513 -109327.4684 298.8392 -96.3741 -67.5827 762577.9398 8.3367 8.2637 PRESSURE: 165000 93.3406 -122.045 -233.793 -122.044 44.7206 -158.44 -233.793 -158.441 432.402 GPRESSURE: 165000 243.939 -10.5364 -280.416 -131.542 85.2466 -219.108 -5.72148 -78.9738 333.051 PRESSAVG: 165000 -77.347 5.68071 -15.7747 5.68074 71.7487 5.61629 -15.7747 5.61636 1.61724 GPRESSAVG: 165000 -75.0738 6.30023 -17.1202 5.34476 69.7005 6.1127 -14.4236 6.71412 1.10727 TIMING: 165000 CPU: 521.025, 0.00314535/step Wall: 521.025, 0.00314535/step, 4.22438 hours remaining, 232.265625 MB of memory in use. ENERGY: 165000 3990.6624 20421.7190 14471.8123 238.7731 -203682.8632 2802.6420 0.0000 0.0000 52116.7407 -109640.5137 299.5156 -161757.2544 -109280.3881 298.8036 190.1543 220.7458 760585.2282 -1.3270 -1.4220 PRESSURE: 165200 -35.813 138.896 182.175 138.895 193.362 8.86517 182.175 8.8653 18.4857 GPRESSURE: 165200 -66.7666 157.131 132.247 152.46 343.036 -60.061 257.477 41.2537 -16.2693 PRESSAVG: 165200 -4.13836 20.2364 57.452 20.2364 9.15717 -14.318 57.4521 -14.3181 -19.0132 GPRESSAVG: 165200 -6.35785 21.5612 58.2559 19.1471 10.4488 -14.4355 57.7109 -13.9483 -18.6836 TIMING: 165200 CPU: 521.653, 0.00314075/step Wall: 521.653, 0.00314076/step, 4.21803 hours remaining, 232.468750 MB of memory in use. ENERGY: 165200 3970.3484 20609.9592 14421.3946 227.3809 -203994.1263 2844.6415 0.0000 0.0000 52143.1330 -109777.2687 299.6673 -161920.4017 -109411.1957 298.8095 58.6782 86.6667 761184.0057 -4.6648 -4.8642 PRESSURE: 165400 139.097 -1.62153 178.629 -1.62098 65.2006 211.524 178.628 211.525 63.2287 GPRESSURE: 165400 235.848 -19.9762 219.882 -28.7898 25.6728 173.941 190.8 213.88 104.37 PRESSAVG: 165400 -8.18984 12.4499 11.3984 12.4499 24.8085 -0.518938 11.3984 -0.518987 30.2476 GPRESSAVG: 165400 -7.63626 10.2391 10.9698 13.1876 24.3016 0.0315238 11.7423 -0.438639 29.8977 TIMING: 165400 CPU: 522.281, 0.00313953/step Wall: 522.281, 0.00313953/step, 4.21621 hours remaining, 232.468750 MB of memory in use. ENERGY: 165400 4013.7730 20527.8191 14471.7466 256.0994 -203909.0456 3000.9358 0.0000 0.0000 51977.9228 -109660.7488 298.7178 -161638.6716 -109293.4576 298.3334 89.1753 121.9636 759727.2548 15.6221 15.5210 PRESSURE: 165600 -83.4301 209.087 -29.1881 209.087 142.338 -140.614 -29.1881 -140.614 93.4821 GPRESSURE: 165600 7.40874 77.7246 -90.9796 229.55 141.437 -170.374 10.6345 -32.8095 70.1464 PRESSAVG: 165600 35.0948 15.8126 10.835 15.8125 -29.2632 -9.46241 10.8351 -9.4624 -18.6104 GPRESSAVG: 165600 35.0734 17.0103 11.0008 16.5126 -29.7446 -9.21073 9.7563 -9.32234 -18.0621 TIMING: 165600 CPU: 522.911, 0.0031498/step Wall: 522.911, 0.0031498/step, 4.22983 hours remaining, 232.468750 MB of memory in use. ENERGY: 165600 3993.2471 20493.2022 14437.2872 238.4643 -203482.2127 2573.3862 0.0000 0.0000 52132.9992 -109613.6266 299.6091 -161746.6258 -109250.7916 298.6289 50.7965 72.9975 761611.5741 -4.2596 -4.2444 PRESSURE: 165800 -14.2097 -37.1805 203.54 -37.1803 -76.9339 140.246 203.541 140.246 13.67 GPRESSURE: 165800 67.0719 -89.5673 108.497 -48.9266 -84.7664 54.8162 253.386 189.074 31.0858 PRESSAVG: 165800 18.1651 -4.03053 -21.7592 -4.03051 -40.2691 -1.83436 -21.7592 -1.83438 -14.3591 GPRESSAVG: 165800 19.0697 -4.48527 -23.7525 -3.17988 -41.2673 -1.77396 -21.2997 -2.68478 -14.8596 TIMING: 165800 CPU: 523.538, 0.00313764/step Wall: 523.538, 0.00313764/step, 4.21332 hours remaining, 232.468750 MB of memory in use. ENERGY: 165800 4016.3204 20586.8663 14430.1364 226.2881 -203653.7305 2817.1389 0.0000 0.0000 52115.3735 -109461.6070 299.5078 -161576.9805 -109092.7965 298.3587 -25.8245 4.4638 763644.7356 -12.1543 -12.3524 PRESSURE: 166000 -275.768 59.4036 7.53866 59.4035 -250.124 -22.1539 7.53883 -22.1525 -358.937 GPRESSURE: 166000 -215.942 53.385 20.9431 51.9605 -186.894 -69.7505 106.702 14.0785 -394.618 PRESSAVG: 166000 2.8306 -0.467333 61.3307 -0.467295 -1.18199 -46.8151 61.3308 -46.815 -32.8887 GPRESSAVG: 166000 2.48802 -1.59945 62.5292 -0.826886 -1.14332 -47.732 62.6492 -46.2574 -32.7679 TIMING: 166000 CPU: 524.17, 0.00315868/step Wall: 524.17, 0.00315868/step, 4.24141 hours remaining, 232.468750 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: 166000 4016.2571 20704.1986 14431.5204 246.8881 -203539.3356 2490.6663 0.0000 0.0000 52117.1709 -109532.6343 299.5181 -161649.8051 -109172.3947 299.2911 -294.9428 -265.8180 762719.4809 -10.4134 -10.4744 PRESSURE: 166200 18.2346 175.268 -36.2358 175.267 -17.5393 116.991 -36.2367 116.992 -159.281 GPRESSURE: 166200 13.4899 117.51 -50.5944 34.8482 78.4483 132.937 -35.2652 108.658 -180.003 PRESSAVG: 166200 -17.1954 -11.2492 44.4283 -11.2492 42.4844 0.224816 44.4284 0.224808 1.45704 GPRESSAVG: 166200 -17.9756 -10.6377 45.5555 -10.5219 42.9328 -0.91948 40.2382 0.818146 1.10254 TIMING: 166200 CPU: 524.795, 0.00312431/step Wall: 524.795, 0.00312431/step, 4.19508 hours remaining, 232.468750 MB of memory in use. ENERGY: 166200 3984.3848 20556.7262 14439.0513 251.0770 -203328.7353 2552.5890 0.0000 0.0000 52105.9131 -109438.9938 299.4534 -161544.9069 -109064.0910 299.3091 -52.8620 -29.3549 763455.7984 8.9153 8.6866 PRESSURE: 166400 -193.642 -81.6549 -44.6763 -81.6553 57.2283 176.695 -44.6754 176.694 -136.694 GPRESSURE: 166400 -119.186 -18.0618 -53.3439 -80.0049 73.9797 236.78 -154.378 51.6613 -150.092 PRESSAVG: 166400 18.9697 22.9167 51.8409 22.9166 -25.0713 -48.3381 51.8408 -48.3382 12.9711 GPRESSAVG: 166400 19.5838 24.4455 50.5388 21.2303 -23.9553 -47.1943 55.5401 -49.5193 11.4194 TIMING: 166400 CPU: 525.427, 0.00315859/step Wall: 525.427, 0.00315859/step, 4.24093 hours remaining, 232.468750 MB of memory in use. ENERGY: 166400 3951.3196 20701.4878 14453.7631 251.0293 -203423.3296 2780.9457 0.0000 0.0000 52069.6121 -109215.1720 299.2448 -161284.7841 -108858.0398 299.4361 -91.0358 -65.0992 763148.8151 2.2898 2.3493 PRESSURE: 166600 34.1858 -32.6993 85.5572 -32.6987 -273.815 41.1843 85.5573 41.1833 -422.39 GPRESSURE: 166600 34.7605 -105.293 67.6752 -143.865 -228.694 60.2922 73.3169 131.329 -381.419 PRESSAVG: 166600 90.6183 -57.6402 38.1758 -57.6402 -104.772 38.2112 38.1758 38.2112 8.3213 GPRESSAVG: 166600 90.0344 -59.4968 38.3528 -57.0817 -105.744 39.2957 36.9939 38.3643 8.91092 TIMING: 166600 CPU: 526.058, 0.00315811/step Wall: 526.058, 0.00315811/step, 4.24012 hours remaining, 232.468750 MB of memory in use. ENERGY: 166600 4000.5847 20638.2949 14467.1166 244.8497 -203533.1155 2726.2581 0.0000 0.0000 52018.7285 -109437.2828 298.9523 -161456.0114 -109074.8304 299.6335 -220.6730 -191.7841 761395.7835 -1.9440 -2.2663 PRESSURE: 166800 133.026 103.114 79.5318 103.115 100.075 83.6152 79.5318 83.6141 -51.2227 GPRESSURE: 166800 109.781 151.413 30.9305 132.065 180.868 -27.9888 -29.0848 -5.02107 -24.3322 PRESSAVG: 166800 -9.00988 -29.354 8.84799 -29.354 -30.2847 13.9339 8.84804 13.934 2.73337 GPRESSAVG: 166800 -10.2055 -29.7547 9.90208 -30.4707 -29.6689 13.848 8.08048 13.3091 3.63482 TIMING: 166800 CPU: 526.693, 0.00317219/step Wall: 526.693, 0.00317219/step, 4.25884 hours remaining, 232.468750 MB of memory in use. ENERGY: 166800 3991.9157 20633.1347 14482.8751 227.3832 -203772.0101 2879.9048 0.0000 0.0000 52061.3566 -109495.4399 299.1973 -161556.7965 -109136.7769 299.2907 60.6262 88.7723 761760.9694 -12.1871 -12.0799 PRESSURE: 167000 386.592 -33.5905 226.635 -33.5901 396.745 188.657 226.635 188.656 -191.822 GPRESSURE: 167000 388.63 -23.3281 226.133 51.9274 441.474 118.412 175.4 203.783 -165.119 PRESSAVG: 167000 9.10828 -10.4988 38.1123 -10.4988 25.1747 23.0333 38.1123 23.0334 -1.38435 GPRESSAVG: 167000 8.22685 -9.38455 38.2563 -8.47275 25.9735 22.1534 37.1288 23.2154 -2.07951 TIMING: 167000 CPU: 527.332, 0.00319725/step Wall: 527.332, 0.00319725/step, 4.29231 hours remaining, 232.468750 MB of memory in use. ENERGY: 167000 3994.8170 20555.4401 14526.0725 255.5629 -203690.6970 2852.0505 0.0000 0.0000 51978.2294 -109528.5246 298.7196 -161506.7539 -109158.6224 298.8059 197.1719 221.6619 759408.0134 10.9662 10.7070 PRESSURE: 167200 -158.304 -62.8642 102.933 -62.8652 198.588 -31.4292 102.933 -31.4289 -232.929 GPRESSURE: 167200 -67.5675 86.2757 44.4617 -76.2152 176.153 -86.4548 57.3893 -93.32 -205.746 PRESSAVG: 167200 12.0856 -15.8095 -37.2928 -15.8095 12.6519 0.703413 -37.2928 0.703395 -3.60881 GPRESSAVG: 167200 13.2485 -16.1802 -36.6254 -18.608 11.2536 -0.669281 -36.4101 0.0241228 -3.61737 TIMING: 167200 CPU: 527.967, 0.00317175/step Wall: 527.967, 0.00317175/step, 4.2579 hours remaining, 232.468750 MB of memory in use. ENERGY: 167200 4004.6966 20467.6279 14493.0967 257.3281 -203330.5650 2542.4614 0.0000 0.0000 51991.1038 -109574.2506 298.7936 -161565.3543 -109212.5656 298.7873 -64.2150 -32.3868 761073.2977 7.0429 6.9616 PRESSURE: 167400 86.7536 -228.276 -237.369 -228.275 -77.6051 -19.1758 -237.37 -19.1759 -729.337 GPRESSURE: 167400 100.043 -218.459 -264.224 -188.454 -63.5646 -6.83638 -187.273 115.148 -686.133 PRESSAVG: 167400 7.30986 20.434 -10.3905 20.434 30.4393 -16.7952 -10.3906 -16.7952 9.90646 GPRESSAVG: 167400 6.71488 18.115 -11.2306 22.4937 30.2411 -16.8 -9.14217 -16.1545 10.612 TIMING: 167400 CPU: 528.601, 0.0031734/step Wall: 528.601, 0.0031734/step, 4.25993 hours remaining, 232.468750 MB of memory in use. ENERGY: 167400 3917.1969 20671.6918 14475.3769 227.2231 -202961.9009 2291.0679 0.0000 0.0000 51863.9511 -109515.3932 298.0628 -161379.3443 -109143.4852 298.8059 -240.0627 -216.5516 762885.0870 15.8852 15.8560 PRESSURE: 167600 -81.3919 -143.193 -128.511 -143.193 461.455 -181.622 -128.511 -181.622 -22.0825 GPRESSURE: 167600 21.3457 -144.688 -116.622 -199.962 402.619 -76.0349 -182.411 -141.148 16.2553 PRESSAVG: 167600 -36.5651 3.7336 6.02145 3.73364 8.52573 -6.931 6.02148 -6.93105 -11.1427 GPRESSAVG: 167600 -34.755 6.66807 5.80866 1.24045 7.51 -6.28609 3.767 -6.70254 -12.1906 TIMING: 167600 CPU: 529.238, 0.00318451/step Wall: 529.238, 0.00318451/step, 4.27468 hours remaining, 232.468750 MB of memory in use. ENERGY: 167600 3969.3335 20586.2580 14437.0693 241.8638 -203263.5754 2628.2417 0.0000 0.0000 51951.3688 -109449.4404 298.5652 -161400.8091 -109095.5721 299.0952 119.3269 146.7401 760917.3636 -13.0607 -13.1452 PRESSURE: 167800 -308.867 100.516 79.1825 100.517 -320.333 -12.4877 79.1821 -12.4871 83.4318 GPRESSURE: 167800 -260.883 72.699 121.323 86.8217 -363.728 42.6883 74.0464 155.766 139.085 PRESSAVG: 167800 -43.8991 18.4053 -5.9197 18.4054 65.3584 47.0125 -5.91971 47.0124 12.6732 GPRESSAVG: 167800 -44.4033 17.0187 -4.51745 19.7289 66.6094 46.7636 -5.38784 45.4842 12.0989 TIMING: 167800 CPU: 529.877, 0.00319353/step Wall: 529.877, 0.00319353/step, 4.28661 hours remaining, 232.468750 MB of memory in use. ENERGY: 167800 4041.5861 20486.9554 14410.5189 254.7966 -203236.4394 2471.3265 0.0000 0.0000 52013.8001 -109557.4557 298.9240 -161571.2558 -109186.9599 298.9689 -181.9226 -161.8421 762132.9198 11.3775 11.4350 PRESSURE: 168000 214.379 80.7878 125.545 80.7876 -297.359 2.10929 125.546 2.10938 13.462 GPRESSURE: 168000 147.15 53.4747 75.6581 91.5519 -193.717 39.1575 240.211 -6.64139 65.0007 PRESSAVG: 168000 -9.4531 14.2565 40.9485 14.2565 29.2705 23.0822 40.9485 23.0822 -1.81131 GPRESSAVG: 168000 -10.723 15.2497 39.3624 14.0699 30.5112 22.5594 42.0834 22.632 -1.62794 TIMING: 168000 CPU: 530.511, 0.00316881/step Wall: 530.511, 0.00316881/step, 4.25325 hours remaining, 232.468750 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: 168000 3948.1012 20644.5126 14467.0266 250.4431 -203120.9309 2504.2855 0.0000 0.0000 51945.1442 -109361.4178 298.5295 -161306.5620 -108992.2461 298.8909 -23.1726 6.1445 760903.4327 6.0020 6.0534 PRESSURE: 168200 183.58 -42.3173 -62.7003 -42.3167 -201.186 -90.5849 -62.7002 -90.5836 -267.809 GPRESSURE: 168200 162.89 90.1625 -26.5809 65.1204 -137.747 -74.9765 76.2781 22.0272 -217.114 PRESSAVG: 168200 -38.444 39.7525 14.1443 39.7525 24.2094 6.54806 14.1443 6.548 19.9413 GPRESSAVG: 168200 -38.8338 39.9815 14.0633 39.9557 24.9603 6.62716 15.0147 7.48769 19.7139 TIMING: 168200 CPU: 531.153, 0.00321145/step Wall: 531.153, 0.00321145/step, 4.3103 hours remaining, 232.468750 MB of memory in use. ENERGY: 168200 3978.0126 20712.6637 14384.1820 229.5201 -203540.2138 2699.1604 0.0000 0.0000 52072.0559 -109464.6191 299.2588 -161536.6749 -109103.8911 299.0251 -95.1381 -63.9902 761611.4152 1.9022 1.9468 LDB: ============= START OF LOAD BALANCING ============== 543.688 LDB: ============== END OF LOAD BALANCING =============== 543.688 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 543.69 LDB: ============= START OF LOAD BALANCING ============== 544.011 LDB: Largest compute 7030 load 0.030987 is 15.9% of average load 0.195035 LDB: Average compute 0.004375 is 2.2% of average load 0.195035 LDB: TIME 544.014 LOAD: AVG 0.195035 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.457 MB LDB: TIME 544.014 LOAD: AVG 0.195035 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.527 MB LDB: TIME 544.015 LOAD: AVG 0.195035 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.527 MB LDB: ============== END OF LOAD BALANCING =============== 544.016 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 544.021 PRESSURE: 168400 160.683 -60.8309 62.1378 -60.8311 -213.415 43.9372 62.1375 43.9372 -268.978 GPRESSURE: 168400 242.315 -35.3747 54.9127 -41.1466 -230.873 51.6051 7.98012 68.4416 -227.252 PRESSAVG: 168400 71.8167 27.3021 30.9312 27.3021 -42.4959 5.92127 30.9312 5.92131 -9.87717 GPRESSAVG: 168400 73.0386 24.5431 30.4239 27.3509 -44.9271 5.84719 30.9431 4.05192 -8.21835 TIMING: 168400 CPU: 531.804, 0.0032578/step Wall: 531.804, 0.0032578/step, 4.37234 hours remaining, 232.398438 MB of memory in use. ENERGY: 168400 4029.2370 20779.1480 14434.9056 243.0940 -203312.8832 2545.8734 0.0000 0.0000 51977.4866 -109303.1386 298.7153 -161280.6252 -108938.6843 299.3152 -107.2366 -71.9366 760698.4060 6.4812 6.6311 PRESSURE: 168600 -92.0915 -48.3825 -311.39 -48.3825 157.866 -308.981 -311.391 -308.982 -208.315 GPRESSURE: 168600 17.5026 69.3061 -406.236 43.2617 79.8484 -351.294 -168.851 -261.204 -147.899 PRESSAVG: 168600 57.4741 23.0271 -68.3472 23.0271 -38.065 -36.3812 -68.3472 -36.3812 -9.1573 GPRESSAVG: 168600 56.4926 24.7319 -69.0265 23.4386 -36.9403 -34.9981 -68.2604 -34.3508 -9.37724 TIMING: 168600 CPU: 532.442, 0.00318645/step Wall: 532.442, 0.00318645/step, 4.27639 hours remaining, 232.601562 MB of memory in use. ENERGY: 168600 3988.6907 20723.3428 14463.4481 239.1735 -203018.5633 2497.5735 0.0000 0.0000 51936.0802 -109170.2546 298.4774 -161106.3348 -108820.3184 299.3976 -47.5135 -16.8494 761150.3284 3.4172 3.3917 PRESSURE: 168800 9.05478 156.797 -207.148 156.796 60.7953 -43.3774 -207.148 -43.3775 -125.632 GPRESSURE: 168800 -39.984 145.604 -263.125 115.509 118.422 -51.4566 -230.759 29.8406 -47.1991 PRESSAVG: 168800 42.3859 4.83097 -31.8641 4.83103 17.2055 -23.6474 -31.8641 -23.6474 -12.4377 GPRESSAVG: 168800 43.1413 4.60143 -31.0598 4.24209 16.7363 -25.5574 -31.4485 -21.7443 -13.018 TIMING: 168800 CPU: 533.075, 0.00316702/step Wall: 533.075, 0.00316702/step, 4.25013 hours remaining, 232.671875 MB of memory in use. ENERGY: 168800 3961.6000 20679.6425 14502.2000 242.3706 -203602.3466 2887.4022 0.0000 0.0000 52151.5352 -109177.5960 299.7156 -161329.1312 -108816.3804 300.1455 -18.5940 10.4129 762174.7781 15.7179 15.6199 PRESSURE: 169000 -274.389 -245.998 -96.1888 -245.997 -289.717 -108.628 -96.1887 -108.627 75.6724 GPRESSURE: 169000 -322.047 -333.241 -8.07786 -73.3359 -139.044 -100.057 -85.9069 -59.0575 35.0417 PRESSAVG: 169000 -7.86041 -2.2586 -3.6797 -2.25857 -28.0286 -35.989 -3.67969 -35.9889 2.51955 GPRESSAVG: 169000 -7.26003 -3.73214 -2.22133 0.124297 -27.7953 -34.3322 -6.4182 -38.7002 1.40962 TIMING: 169000 CPU: 533.71, 0.0031741/step Wall: 533.71, 0.0031741/step, 4.25946 hours remaining, 232.671875 MB of memory in use. ENERGY: 169000 4062.0740 20515.8490 14554.0364 247.6766 -203161.3102 2446.0738 0.0000 0.0000 52147.9701 -109187.6303 299.6951 -161335.6004 -108818.2071 299.7209 -162.8114 -142.0166 762230.0911 -11.1231 -11.2152 PRESSURE: 169200 222.24 130.101 10.2919 130.1 32.1802 94.9365 10.2904 94.9362 328.537 GPRESSURE: 169200 275.562 91.4658 2.90529 41.6501 96.6827 195.824 60.7756 120.989 286.837 PRESSAVG: 169200 24.7795 48.0931 -8.66504 48.093 0.42926 -29.3314 -8.66499 -29.3313 23.4562 GPRESSAVG: 169200 24.463 49.3577 -10.9572 45.9354 1.7859 -28.3325 -8.63386 -27.5984 22.8084 TIMING: 169200 CPU: 534.343, 0.00316623/step Wall: 534.343, 0.00316623/step, 4.24872 hours remaining, 232.671875 MB of memory in use. ENERGY: 169200 3912.5177 20774.0100 14445.0867 237.0085 -203267.2246 2579.5260 0.0000 0.0000 52081.3589 -109237.7168 299.3123 -161319.0757 -108870.8564 299.3996 194.3191 219.6939 759767.8722 16.2217 16.3524 PRESSURE: 169400 428.456 -192.542 -200.874 -192.542 243.842 -138.362 -200.875 -138.362 4.51039 GPRESSURE: 169400 422.962 -163.679 -116.697 -217.946 258.817 -136.94 -138.414 -312.511 58.0012 PRESSAVG: 169400 -1.92639 42.381 -43.3319 42.381 -20.5904 -13.5451 -43.3319 -13.5451 3.89017 GPRESSAVG: 169400 -1.1196 42.5148 -42.3538 41.9326 -22.4376 -15.6715 -43.833 -15.4293 4.77869 TIMING: 169400 CPU: 534.976, 0.00316625/step Wall: 534.976, 0.00316625/step, 4.24858 hours remaining, 232.671875 MB of memory in use. ENERGY: 169400 3927.1368 20671.4358 14510.9134 240.3823 -203426.3081 2536.4546 0.0000 0.0000 52206.2284 -109333.7568 300.0299 -161539.9852 -108982.2464 299.4797 225.6028 246.5934 759360.2343 -6.2089 -6.2595 PRESSURE: 169600 -180.358 116.943 2.4652 116.942 -305.845 -26.9487 2.46536 -26.9491 -298.26 GPRESSURE: 169600 -199.126 50.3584 -83.8487 -48.4086 -278.124 27.7308 18.4692 -92.5393 -225.714 PRESSAVG: 169600 30.2498 95.676 30.4209 95.6759 -33.6132 -0.646058 30.421 -0.646048 7.54788 GPRESSAVG: 169600 27.6788 93.5541 30.1488 96.3995 -31.5074 -0.526796 32.1946 1.2301 8.21388 TIMING: 169600 CPU: 535.606, 0.00314832/step Wall: 535.606, 0.00314832/step, 4.22435 hours remaining, 232.671875 MB of memory in use. ENERGY: 169600 4044.8516 20569.6753 14500.8873 251.5043 -203223.2784 2359.7799 0.0000 0.0000 52091.8900 -109404.6901 299.3728 -161496.5800 -109047.4399 299.3204 -261.4879 -234.3211 760043.6915 1.3948 1.4617 PRESSURE: 169800 24.611 -209.482 -188.694 -209.481 21.8285 -208.522 -188.694 -208.523 28.0366 GPRESSURE: 169800 125.971 -248.445 -153.636 -86.3565 3.15207 -148.472 -188.019 -151.512 41.1712 PRESSAVG: 169800 4.43109 65.5176 -12.0501 65.5176 6.50454 -10.4251 -12.0501 -10.425 24.566 GPRESSAVG: 169800 6.28971 67.1951 -11.723 66.2967 6.12381 -9.54006 -12.3435 -11.1294 23.0981 TIMING: 169800 CPU: 536.234, 0.00313823/step Wall: 536.234, 0.00313823/step, 4.21064 hours remaining, 232.671875 MB of memory in use. ENERGY: 169800 4007.8214 20460.8612 14439.1327 231.2911 -203442.4765 2822.3015 0.0000 0.0000 52030.2415 -109450.8272 299.0185 -161481.0687 -109085.1368 299.7594 24.8254 56.7649 761957.0308 11.8339 11.8372 PRESSURE: 170000 -207.109 -81.937 -29.9916 -81.9364 -449.469 435.645 -29.992 435.645 245.062 GPRESSURE: 170000 -189.624 -79.7934 -77.4046 -85.0843 -456.049 368.434 63.1365 265.026 287.544 PRESSAVG: 170000 72.2342 58.3434 19.2734 58.3434 -65.7487 -36.6029 19.2733 -36.603 -1.37044 GPRESSAVG: 170000 71.8566 57.0447 19.0412 58.2394 -66.305 -38.0534 18.1738 -35.9574 -0.535916 TIMING: 170000 CPU: 536.866, 0.00316256/step Wall: 536.866, 0.00316256/step, 4.2431 hours remaining, 232.671875 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: 170000 3964.8349 20492.6663 14461.0511 232.4402 -203075.7861 2433.6827 0.0000 0.0000 52070.7458 -109420.3651 299.2513 -161491.1109 -109057.8739 299.0629 -137.1722 -119.3766 761015.0846 1.7050 1.6719 PRESSURE: 170200 -33.8972 -56.5298 183.864 -56.5307 -381.924 18.6112 183.864 18.6114 282.177 GPRESSURE: 170200 30.9459 -81.1197 223.872 26.5321 -330.14 -102.076 50.7194 140.157 251.711 PRESSAVG: 170200 67.8292 -11.65 32.9612 -11.6499 -41.8457 -9.31578 32.9613 -9.31575 22.1967 GPRESSAVG: 170200 67.4986 -12.4515 31.8251 -10.0595 -41.544 -8.60678 32.6815 -9.83989 22.2453 TIMING: 170200 CPU: 537.501, 0.00317149/step Wall: 537.501, 0.00317149/step, 4.25491 hours remaining, 232.671875 MB of memory in use. ENERGY: 170200 4020.4598 20405.9116 14560.3448 253.2180 -203033.4093 2537.3397 0.0000 0.0000 51864.8208 -109391.3146 298.0678 -161256.1353 -109031.5088 299.0511 -44.5479 -15.8278 761787.3778 16.0601 16.0666 PRESSURE: 170400 151.896 128.96 -59.7203 128.961 -35.4037 -217.274 -59.7202 -217.275 56.6543 GPRESSURE: 170400 189.655 93.8688 8.88817 -46.9687 73.9273 -199.233 86.4543 -224.817 0.604335 PRESSAVG: 170400 7.15833 30.4237 12.3663 30.4236 -10.2944 -22.1211 12.3663 -22.1211 -14.5391 GPRESSAVG: 170400 7.50887 31.1888 14.3386 26.5939 -9.77672 -21.289 13.9675 -20.9662 -15.3913 TIMING: 170400 CPU: 538.136, 0.00317854/step Wall: 538.136, 0.00317854/step, 4.26418 hours remaining, 232.671875 MB of memory in use. ENERGY: 170400 3945.8858 20487.4307 14474.6564 244.3305 -203561.2066 2814.8292 0.0000 0.0000 52406.7193 -109187.3546 301.1821 -161594.0740 -108818.1301 299.1545 57.7157 88.0622 762347.7396 -5.8917 -5.8864 PRESSURE: 170600 -72.315 122.198 -39.9557 122.197 -221.367 220.778 -39.9564 220.778 -202.455 GPRESSURE: 170600 22.097 125.008 -155.497 217.331 -168.436 231.528 28.4631 171.116 -254.175 PRESSAVG: 170600 61.1984 21.0469 11.62 21.0469 -28.7017 17.7983 11.62 17.7982 9.10976 GPRESSAVG: 170600 60.6707 21.4212 10.1887 22.9863 -30.3081 16.6447 12.0036 18.4652 10.8379 TIMING: 170600 CPU: 538.773, 0.00318489/step Wall: 538.773, 0.00318489/step, 4.27253 hours remaining, 232.671875 MB of memory in use. ENERGY: 170600 4011.7229 20488.9870 14466.6282 265.2284 -203287.5524 2618.2833 0.0000 0.0000 52173.0997 -109263.6028 299.8395 -161436.7025 -108903.7946 299.2460 -165.3789 -133.5046 762558.8979 13.8688 13.7335 PRESSURE: 170800 53.5591 192.248 -91.8071 192.249 -78.217 -50.905 -91.8077 -50.9056 390.809 GPRESSURE: 170800 137.397 41.2009 -31.3426 144.205 -12.3347 -99.6523 -230.519 -38.6425 316.665 PRESSAVG: 170800 -2.81393 -10.2981 -60.5731 -10.2981 -26.4034 -36.8081 -60.5731 -36.808 -21.0156 GPRESSAVG: 170800 -3.92786 -10.9278 -60.0945 -9.56967 -24.6688 -37.4072 -61.2192 -39.4321 -22.3587 TIMING: 170800 CPU: 539.407, 0.0031695/step Wall: 539.407, 0.0031695/step, 4.25171 hours remaining, 232.671875 MB of memory in use. ENERGY: 170800 3978.3547 20577.7480 14436.8924 239.9810 -203619.4010 2863.1823 0.0000 0.0000 52339.3747 -109183.8679 300.7951 -161523.2426 -108819.7417 299.0176 122.0503 147.2425 761166.8232 -16.7443 -16.9851 PRESSURE: 171000 -127.341 82.5763 -33.4537 82.5767 108.9 -217.552 -33.4538 -217.552 -132.312 GPRESSURE: 171000 -136.275 -4.6942 0.157733 -19.5829 147.847 -192.456 -7.47113 -193.795 -69.0417 PRESSAVG: 171000 39.308 18.476 -42.0535 18.4761 -44.0433 -31.8871 -42.0535 -31.8871 -17.1365 GPRESSAVG: 171000 39.9095 17.1644 -41.7772 17.8525 -45.02 -30.4625 -42.4591 -31.0883 -17.2411 TIMING: 171000 CPU: 540.041, 0.00317071/step Wall: 540.041, 0.00317071/step, 4.25316 hours remaining, 232.671875 MB of memory in use. ENERGY: 171000 3988.3947 20588.1440 14524.7778 232.9125 -203235.6082 2664.6728 0.0000 0.0000 52056.5682 -109180.1383 299.1698 -161236.7064 -108816.7290 299.1954 -50.2512 -19.1567 762902.2378 -7.2906 -7.4505 PRESSURE: 171200 -18.7231 -18.2714 151.09 -18.2717 -300.772 -104.197 151.09 -104.197 389.115 GPRESSURE: 171200 -22.8071 -37.8283 56.3314 9.23083 -226.317 56.4792 153.038 -92.8771 399.232 PRESSAVG: 171200 28.4509 -37.8802 34.8768 -37.8802 -19.9287 -37.5257 34.8769 -37.5257 -7.28589 GPRESSAVG: 171200 29.0724 -35.2564 35.1101 -38.4187 -20.3033 -38.8826 36.3408 -32.7196 -7.27836 TIMING: 171200 CPU: 540.672, 0.00315444/step Wall: 540.672, 0.00315445/step, 4.23116 hours remaining, 232.671875 MB of memory in use. ENERGY: 171200 3882.6237 20725.5209 14483.5343 252.9789 -203033.7521 2640.1959 0.0000 0.0000 51947.6577 -109101.2406 298.5439 -161048.8982 -108741.9265 298.7727 23.2069 50.0359 762296.9824 0.4121 0.4969 PRESSURE: 171400 1.56023 -93.5169 55.6018 -93.5167 -162.509 45.9071 55.6023 45.9064 -145.32 GPRESSURE: 171400 34.8004 56.9436 -48.4623 -30.1475 -108.574 -26.2442 16.7965 78.338 -164.199 PRESSAVG: 171400 45.4511 -23.5585 23.0653 -23.5585 -52.0253 -59.4627 23.0653 -59.4627 12.5528 GPRESSAVG: 171400 45.5282 -24.6069 23.0901 -22.6763 -51.9448 -60.2123 20.9732 -62.3206 12.6162 TIMING: 171400 CPU: 541.304, 0.00315692/step Wall: 541.304, 0.00315692/step, 4.23431 hours remaining, 232.671875 MB of memory in use. ENERGY: 171400 3989.9471 20637.7994 14521.5906 245.8941 -203076.4919 2337.3794 0.0000 0.0000 52038.8445 -109305.0369 299.0680 -161343.8814 -108940.9442 298.8233 -102.0895 -79.3242 761485.7026 1.9929 2.0665 PRESSURE: 171600 -55.9149 -96.6613 1.45755 -96.6614 -25.4006 93.4908 1.45735 93.4907 -85.3068 GPRESSURE: 171600 -32.3019 29.768 -109.33 -196.471 47.6643 33.7428 -15.6431 107.788 -115.277 PRESSAVG: 171600 22.6355 0.936226 -18.0696 0.936243 -4.90307 9.05785 -18.0695 9.05787 -39.8768 GPRESSAVG: 171600 23.2029 1.92007 -17.7366 0.525072 -5.19257 10.6259 -17.9429 8.02339 -39.9929 TIMING: 171600 CPU: 541.937, 0.00316845/step Wall: 541.937, 0.00316845/step, 4.24959 hours remaining, 232.671875 MB of memory in use. ENERGY: 171600 3884.1501 20653.3041 14547.6430 266.8436 -203284.4741 2486.6614 0.0000 0.0000 52062.0096 -109383.8623 299.2011 -161445.8719 -109019.4061 299.0918 -55.5408 -33.3050 761199.2761 -7.3814 -7.3275 PRESSURE: 171800 85.4295 101.601 -149.994 101.601 -209.029 158.427 -149.993 158.427 -229.504 GPRESSURE: 171800 237.738 125.694 -163.702 208.674 -210.052 129.762 -81.2015 -4.71387 -280.595 PRESSAVG: 171800 0.273864 -21.104 22.0818 -21.104 1.22539 -4.28534 22.0818 -4.28533 5.97712 GPRESSAVG: 171800 0.295458 -22.3358 22.2138 -21.0156 1.5498 -5.87095 24.2813 -3.94256 5.69874 TIMING: 171800 CPU: 542.57, 0.00316483/step Wall: 542.57, 0.00316483/step, 4.24457 hours remaining, 232.671875 MB of memory in use. ENERGY: 171800 4070.1905 20456.6263 14509.8059 249.7657 -203385.4303 2736.6980 0.0000 0.0000 52100.7024 -109261.6415 299.4235 -161362.3438 -108895.8738 298.5709 -117.7015 -84.3028 762006.0264 2.4921 2.5147 PRESSURE: 172000 276.313 -139.24 -143.763 -139.239 -30.6368 56.9684 -143.763 56.9674 424.586 GPRESSURE: 172000 364.987 -69.133 -226.222 -148.168 43.8623 45.0411 -168.995 74.5694 354.216 PRESSAVG: 172000 -22.6423 -7.47813 34.197 -7.4781 40.6852 1.38019 34.197 1.38021 21.1483 GPRESSAVG: 172000 -22.122 -5.32726 35.062 -9.40549 39.6432 0.920992 33.1396 1.99547 21.347 TIMING: 172000 CPU: 543.204, 0.00316938/step Wall: 543.204, 0.00316938/step, 4.25049 hours remaining, 232.671875 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: 172000 3997.2352 20667.8917 14464.7913 260.2231 -203449.1033 2854.4181 0.0000 0.0000 52055.7767 -109148.7672 299.1653 -161204.5439 -108781.9887 299.2864 223.4209 254.3550 761217.7886 13.0637 12.9560 PRESSURE: 172200 339.42 -100.413 -295.089 -100.415 -80.4519 -186.283 -295.089 -186.284 -88.6961 GPRESSURE: 172200 324.345 -78.4897 -295.795 -135.651 -70.657 -184.841 -224.42 -227.364 -39.1795 PRESSAVG: 172200 2.55672 18.1168 35.924 18.1168 -26.6233 -83.2605 35.9239 -83.2605 19.1923 GPRESSAVG: 172200 2.12145 16.0696 34.5064 20.0824 -25.7331 -81.7063 35.2838 -84.6762 18.3374 TIMING: 172200 CPU: 543.834, 0.00315002/step Wall: 543.834, 0.00315002/step, 4.22435 hours remaining, 232.671875 MB of memory in use. ENERGY: 172200 4086.0525 20752.8005 14501.6219 241.4140 -203554.1872 2882.2644 0.0000 0.0000 51902.8616 -109187.1723 298.2865 -161090.0339 -108818.3829 299.1998 56.7572 71.5030 761756.4583 -1.6248 -1.7581 LDB: ============= START OF LOAD BALANCING ============== 556.366 LDB: ============== END OF LOAD BALANCING =============== 556.366 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 556.367 LDB: ============= START OF LOAD BALANCING ============== 556.686 LDB: Largest compute 7045 load 0.031260 is 16.0% of average load 0.195037 LDB: Average compute 0.004389 is 2.3% of average load 0.195037 LDB: TIME 556.69 LOAD: AVG 0.195037 MAX 0.213518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.527 MB LDB: TIME 556.69 LOAD: AVG 0.195037 MAX 0.213518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.586 MB LDB: TIME 556.69 LOAD: AVG 0.195037 MAX 0.213518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.586 MB LDB: ============== END OF LOAD BALANCING =============== 556.692 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 556.697 PRESSURE: 172400 -150.305 -11.5211 136.858 -11.5216 -241.682 -96.3783 136.858 -96.3789 -744.857 GPRESSURE: 172400 -172.202 23.7537 217.435 17.3575 -171.991 -101.844 153.195 25.7333 -702.144 PRESSAVG: 172400 27.73 42.1425 -7.76904 42.1425 -25.4182 -23.2184 -7.76906 -23.2183 -33.3412 GPRESSAVG: 172400 26.6276 43.9029 -8.13473 40.6366 -24.8525 -22.1611 -6.97039 -23.6306 -33.1174 TIMING: 172400 CPU: 544.48, 0.00322932/step Wall: 544.48, 0.00322932/step, 4.33052 hours remaining, 232.074219 MB of memory in use. ENERGY: 172400 3999.3725 20521.1225 14498.7360 247.2080 -203125.2053 2477.8805 0.0000 0.0000 52193.9266 -109186.9592 299.9592 -161380.8859 -108834.9408 299.2058 -378.9480 -348.7791 762264.8534 -10.3431 -10.4474 PRESSURE: 172600 115.366 90.7632 77.6884 90.7634 175.618 -113.528 77.6886 -113.527 70.8796 GPRESSURE: 172600 133.991 94.9132 100.872 50.962 271.479 -136.923 21.603 -140.706 44.9632 PRESSAVG: 172600 35.4987 -19.563 27.9922 -19.563 -15.7898 21.6959 27.9922 21.6958 -28.7737 GPRESSAVG: 172600 36.4487 -19.1999 26.7873 -19.8213 -15.713 21.0514 28.4319 22.6603 -29.9939 TIMING: 172600 CPU: 545.12, 0.00319883/step Wall: 545.12, 0.00319883/step, 4.28946 hours remaining, 232.660156 MB of memory in use. ENERGY: 172600 4001.5164 20425.8391 14496.9536 235.6462 -203388.1678 2746.3303 0.0000 0.0000 52295.0034 -109186.8788 300.5401 -161481.8822 -108827.8956 299.4431 120.6212 150.1443 761302.7049 -3.0216 -3.0861 PRESSURE: 172800 -1.08167 -5.74565 -27.9167 -5.74564 -28.7126 -168.792 -27.9164 -168.792 -161.41 GPRESSURE: 172800 72.3969 -35.6189 -62.6076 109.325 4.26906 -126.682 -67.8456 -189.471 -192.242 PRESSAVG: 172800 28.759 19.4469 31.04 19.4469 -10.0838 -12.1505 31.0399 -12.1506 19.0282 GPRESSAVG: 172800 28.4653 18.1043 30.8115 19.8822 -11.0298 -12.9015 32.166 -13.2494 19.6026 TIMING: 172800 CPU: 545.756, 0.00318203/step Wall: 545.756, 0.00318203/step, 4.26675 hours remaining, 232.671875 MB of memory in use. ENERGY: 172800 4069.5793 20505.9964 14486.0765 248.1672 -203177.0917 2676.9803 0.0000 0.0000 52114.5034 -109075.7885 299.5028 -161190.2919 -108714.8578 299.3801 -63.7349 -38.5252 763168.4419 12.5678 12.3461 PRESSURE: 173000 45.6249 -6.5032 120.361 -6.50307 0.258426 109.091 120.36 109.089 -173.366 GPRESSURE: 173000 147.6 -28.4482 93.7927 86.9058 -26.3501 195.823 58.7392 87.6472 -161.789 PRESSAVG: 173000 -10.987 -48.7141 23.2011 -48.7141 -23.5493 6.67357 23.2011 6.67356 25.2499 GPRESSAVG: 173000 -9.48116 -47.979 24.7407 -47.6381 -24.4735 7.96966 21.1253 7.01143 24.8599 TIMING: 173000 CPU: 546.393, 0.00318566/step Wall: 546.393, 0.00318566/step, 4.27144 hours remaining, 232.671875 MB of memory in use. ENERGY: 173000 4108.6473 20645.5096 14517.4484 220.9182 -203372.1875 2697.6014 0.0000 0.0000 51865.4012 -109316.6614 298.0712 -161182.0626 -108961.7349 299.1719 -42.4940 -13.5131 761709.0778 -3.0955 -3.0316 PRESSURE: 173200 -16.5469 -72.2145 -188.71 -72.2149 98.314 -27.5854 -188.71 -27.585 -153.771 GPRESSURE: 173200 32.4705 27.8365 -65.2785 -125.894 187.145 -87.7001 -125.165 -4.77307 -206.18 PRESSAVG: 173200 -46.1674 37.7272 -11.9965 37.7272 14.6749 -26.2852 -11.9964 -26.2852 -4.15247 GPRESSAVG: 173200 -46.8086 38.5727 -11.6218 35.5346 15.2549 -26.2121 -11.7424 -25.2872 -3.28964 TIMING: 173200 CPU: 547.028, 0.00317241/step Wall: 547.028, 0.00317241/step, 4.2535 hours remaining, 232.671875 MB of memory in use. ENERGY: 173200 4053.7055 20770.4945 14432.9687 249.5282 -203669.9462 2931.2639 0.0000 0.0000 52127.5870 -109104.3985 299.5780 -161231.9854 -108744.9463 298.5835 -24.0012 4.4784 763087.7916 -11.8817 -11.6145 PRESSURE: 173400 108.42 -92.4056 157.175 -92.406 -6.01641 92.8588 157.174 92.8593 161.468 GPRESSURE: 173400 190.604 -58.3499 238.194 -5.36866 51.3278 192.339 129.985 -34.5963 95.408 PRESSAVG: 173400 7.2664 -23.2898 -6.1865 -23.2898 -40.3711 -46.2517 -6.18647 -46.2516 -3.58711 GPRESSAVG: 173400 8.03031 -25.3417 -6.22767 -21.3766 -40.317 -45.1576 -6.68684 -47.0736 -4.43377 TIMING: 173400 CPU: 547.665, 0.00318562/step Wall: 547.665, 0.00318562/step, 4.27103 hours remaining, 232.671875 MB of memory in use. ENERGY: 173400 4000.6405 20600.4153 14534.4194 229.7484 -203384.3199 2816.2347 0.0000 0.0000 52112.9196 -109089.9420 299.4937 -161202.8617 -108725.3103 299.2472 87.9571 112.4467 763247.3907 -12.2306 -12.2401 PRESSURE: 173600 -38.1072 176.994 35.0778 176.994 -62.2731 302.029 35.0778 302.029 -568.319 GPRESSURE: 173600 -41.5874 166.906 -79.2892 200.216 -56.8093 276.665 73.143 317.387 -449.293 PRESSAVG: 173600 -16.851 16.5366 -51.6857 16.5366 -29.77 5.57963 -51.6857 5.57974 -5.77868 GPRESSAVG: 173600 -16.5194 17.4719 -53.486 16.3669 -30.2022 4.00724 -51.9752 4.55975 -5.16747 TIMING: 173600 CPU: 548.301, 0.00318195/step Wall: 548.301, 0.00318195/step, 4.26593 hours remaining, 232.671875 MB of memory in use. ENERGY: 173600 4050.4381 20575.5856 14529.4365 258.8623 -203544.1418 2830.1082 0.0000 0.0000 51818.6170 -109481.0942 297.8023 -161299.7112 -109119.0829 299.0679 -222.8998 -182.5633 763698.4030 -17.4666 -17.2964 PRESSURE: 173800 -175.404 80.6871 41.7453 80.6877 -89.3983 -1.0098 41.7454 -1.01005 237.628 GPRESSURE: 173800 -206.967 256.146 52.0893 165.188 18.5826 -70.8289 215.465 77.922 235.162 PRESSAVG: 173800 -50.6022 51.9202 -54.3147 51.9203 2.80145 -7.60713 -54.3147 -7.60709 -2.51818 GPRESSAVG: 173800 -50.8001 51.2415 -54.5012 51.7218 3.1856 -7.50033 -52.9418 -5.57916 -2.97653 TIMING: 173800 CPU: 548.944, 0.00321319/step Wall: 548.944, 0.00321319/step, 4.30764 hours remaining, 232.671875 MB of memory in use. ENERGY: 173800 3981.7502 20496.3783 14451.8877 236.8881 -203299.0300 2556.2514 0.0000 0.0000 51913.7768 -109662.0976 298.3492 -161575.8743 -109303.5966 298.4804 -9.0581 15.5924 762444.0256 -16.7730 -16.8637 PRESSURE: 174000 165.973 60.9391 -19.6804 60.9393 -38.478 68.5815 -19.6796 68.5825 284.863 GPRESSURE: 174000 178.725 108.131 20.5851 29.4427 99.9944 62.3713 -121.377 9.7785 183.861 PRESSAVG: 174000 20.9381 -20.7461 -12.7586 -20.7461 -19.8677 13.75 -12.7586 13.75 23.9721 GPRESSAVG: 174000 20.5456 -19.3992 -12.6341 -22.381 -19.7581 13.7848 -11.6147 12.3119 23.8471 TIMING: 174000 CPU: 549.583, 0.00319627/step Wall: 549.583, 0.00319627/step, 4.28478 hours remaining, 232.671875 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: 174000 3901.5653 20638.4305 14498.2964 254.7366 -203632.1413 3006.5597 0.0000 0.0000 51816.1174 -109516.4354 297.7879 -161332.5528 -109160.8271 298.5443 137.4527 154.1933 763191.4448 8.3475 8.2115 PRESSURE: 174200 184.41 -38.091 10.1668 -38.0909 58.742 30.0124 10.1671 30.0135 -196.254 GPRESSURE: 174200 137.901 -15.9346 60.5043 -134.473 137.591 35.2689 -90.6612 -142.593 -136.536 PRESSAVG: 174200 -2.68369 28.3837 24.3934 28.3837 -16.4412 -55.5355 24.3935 -55.5356 -12.6847 GPRESSAVG: 174200 -2.16291 27.9081 24.4957 28.0412 -16.8036 -55.6363 22.3731 -55.0532 -13.2522 TIMING: 174200 CPU: 550.22, 0.00318545/step Wall: 550.22, 0.00318545/step, 4.2701 hours remaining, 232.671875 MB of memory in use. ENERGY: 174200 4050.4190 20459.3849 14442.6092 218.8859 -203267.5030 2464.4759 0.0000 0.0000 52093.7652 -109537.9629 299.3836 -161631.7281 -109174.4792 299.0488 15.6328 46.3186 761282.8704 -10.6032 -10.7396 PRESSURE: 174400 -207.19 -236.575 141.75 -236.574 -271.765 -5.97501 141.751 -5.97397 283.84 GPRESSURE: 174400 -283.832 -290.179 243.026 -268.138 -161.821 -8.28578 29.9072 26.151 314.278 PRESSAVG: 174400 33.5539 -45.6655 5.90624 -45.6655 24.2509 23.0171 5.90627 23.0171 10.4431 GPRESSAVG: 174400 33.3954 -48.1278 7.52718 -42.726 23.7835 22.5222 6.2951 23.3323 11.2171 TIMING: 174400 CPU: 550.857, 0.00318279/step Wall: 550.857, 0.00318279/step, 4.26635 hours remaining, 232.671875 MB of memory in use. ENERGY: 174400 4023.4914 20564.1432 14500.1553 248.5259 -203432.4900 2700.1996 0.0000 0.0000 51857.0055 -109538.9691 298.0229 -161395.9746 -109182.6315 299.2625 -65.0383 -43.7915 760604.4242 22.7493 22.7987 PRESSURE: 174600 195.536 148.899 -78.0269 148.899 2.35201 21.372 -78.0268 21.3713 189.279 GPRESSURE: 174600 272.351 201.1 -185.746 153.48 20.0464 6.81402 -151.11 162.048 180.828 PRESSAVG: 174600 89.0434 -20.7118 -38.6802 -20.7118 -58.7811 -45.9756 -38.6802 -45.9756 17.5197 GPRESSAVG: 174600 88.7595 -20.1692 -38.7563 -20.785 -58.6423 -45.5668 -37.9745 -46.6609 16.5543 TIMING: 174600 CPU: 551.492, 0.00317508/step Wall: 551.492, 0.00317508/step, 4.25584 hours remaining, 232.671875 MB of memory in use. ENERGY: 174600 3916.0514 20558.4657 14474.6637 235.1724 -203090.8113 2613.3789 0.0000 0.0000 51912.8640 -109380.2152 298.3439 -161293.0792 -109021.1482 298.5821 129.0558 157.7419 761885.6437 15.9273 15.5572 PRESSURE: 174800 346.16 -182.875 -123.242 -182.875 40.3969 -271.283 -123.242 -271.283 318.826 GPRESSURE: 174800 402.373 -194.02 -156.217 -169.609 126.307 -246.459 15.2803 -63.556 274.432 PRESSAVG: 174800 83.2095 23.5916 1.04828 23.5916 -33.79 3.95612 1.04831 3.95616 -6.75426 GPRESSAVG: 174800 82.5889 24.0611 -0.295238 22.043 -34.5272 4.2703 0.798802 5.04442 -4.71386 TIMING: 174800 CPU: 552.135, 0.00321556/step Wall: 552.135, 0.00321556/step, 4.30992 hours remaining, 232.671875 MB of memory in use. ENERGY: 174800 3942.3861 20596.1890 14492.5034 254.2893 -203932.5732 3144.0213 0.0000 0.0000 52062.3742 -109440.8098 299.2032 -161503.1840 -109084.6892 298.7391 235.1276 267.7042 761029.8665 14.2218 14.4493 PRESSURE: 175000 -320.528 -112.288 -49.1905 -112.288 360.567 -108.819 -49.1912 -108.82 72.9818 GPRESSURE: 175000 -195.499 -61.6327 -153.066 -182.085 345.068 -65.6149 -26.7365 -136.173 58.1619 PRESSAVG: 175000 4.79448 37.5783 -57.6158 37.5782 16.6544 13.6144 -57.6158 13.6144 22.8431 GPRESSAVG: 175000 6.07582 39.1555 -58.1248 38.4869 16.6131 14.7751 -57.6218 11.7523 21.3188 TIMING: 175000 CPU: 552.774, 0.00319559/step Wall: 552.774, 0.00319559/step, 4.28298 hours remaining, 232.671875 MB of memory in use. ENERGY: 175000 3982.8086 20461.3732 14565.9307 255.3664 -202978.7898 2493.1949 0.0000 0.0000 52018.7050 -109201.4109 298.9522 -161220.1160 -108836.0309 298.9852 37.6735 69.2439 761322.7075 14.7640 14.6693 PRESSURE: 175200 -136.223 254.542 -24.867 254.542 -215.237 84.1053 -24.8674 84.1065 21.5576 GPRESSURE: 175200 -90.7277 263.111 -29.8847 255.503 -168.113 81.2102 -9.92411 102.923 20.8546 PRESSAVG: 175200 73.422 36.6154 -39.391 36.6155 -40.1544 27.9182 -39.391 27.9182 -12.297 GPRESSAVG: 175200 72.7199 36.7426 -38.8354 37.1787 -38.3375 26.1781 -41.2972 28.8867 -13.3045 TIMING: 175200 CPU: 553.412, 0.00318753/step Wall: 553.412, 0.00318754/step, 4.27201 hours remaining, 232.671875 MB of memory in use. ENERGY: 175200 4029.9161 20583.6663 14418.0589 248.5102 -202980.8497 2420.3370 0.0000 0.0000 52094.0124 -109186.3489 299.3850 -161280.3613 -108825.1795 299.8126 -109.9675 -79.3286 762162.8066 6.9902 7.0259 PRESSURE: 175400 -272.631 -234.05 -35.0081 -234.05 137.942 176.675 -35.0091 176.674 115.985 GPRESSURE: 175400 -221.021 -281.529 -10.6644 -125.55 187.155 164.996 -130.346 283.056 112.128 PRESSAVG: 175400 37.6878 37.3273 14.0025 37.3273 -27.7177 15.4288 14.0024 15.4289 1.81372 GPRESSAVG: 175400 39.5459 35.8186 15.9881 39.108 -29.4641 15.4213 15.2754 14.8269 1.39675 TIMING: 175400 CPU: 554.049, 0.00318672/step Wall: 554.049, 0.00318672/step, 4.27073 hours remaining, 232.671875 MB of memory in use. ENERGY: 175400 3991.8431 20616.2010 14471.0571 263.1917 -203386.8271 2515.9652 0.0000 0.0000 52252.6606 -109275.9084 300.2968 -161528.5690 -108914.0141 299.5296 -6.2347 26.0876 762070.6492 3.9279 3.8262 PRESSURE: 175600 353.966 53.0587 119.897 53.0577 166.897 -129.56 119.897 -129.559 256.405 GPRESSURE: 175600 284.155 68.7837 243.429 1.68946 218.65 -223.5 39.4241 -43.8372 343.056 PRESSAVG: 175600 33.0006 -6.91584 -12.3706 -6.91585 -69.1553 14.1342 -12.3706 14.1342 8.47762 GPRESSAVG: 175600 30.5416 -4.69328 -12.2909 -11.0413 -67.9149 14.7117 -11.9096 15.8453 9.92149 TIMING: 175600 CPU: 554.681, 0.00315833/step Wall: 554.681, 0.00315833/step, 4.23252 hours remaining, 232.671875 MB of memory in use. ENERGY: 175600 4038.2438 20473.5351 14494.7375 223.4484 -203564.4977 2762.1918 0.0000 0.0000 52463.8904 -109108.4507 301.5107 -161572.3411 -108752.0213 299.4707 259.0893 281.9535 760582.8714 -9.2257 -9.1506 PRESSURE: 175800 243.499 -377.033 -112.738 -377.031 208.492 -106.603 -112.738 -106.603 373.059 GPRESSURE: 175800 264.651 -458.661 -27.8424 -280.269 261.226 -159.078 -15.2359 -16.4263 389.808 PRESSAVG: 175800 39.7916 -36.0573 -0.952551 -36.0573 -53.3213 -6.89858 -0.952573 -6.89862 1.13094 GPRESSAVG: 175800 40.8025 -37.0044 -0.694459 -33.4261 -54.9987 -6.34308 -2.52937 -7.96313 2.01829 TIMING: 175800 CPU: 555.31, 0.00314761/step Wall: 555.31, 0.00314761/step, 4.21797 hours remaining, 232.671875 MB of memory in use. ENERGY: 175800 4097.7352 20455.1364 14462.7649 235.8925 -203662.1962 2867.7717 0.0000 0.0000 52378.4272 -109164.4683 301.0195 -161542.8956 -108791.3343 299.6160 275.0170 305.2283 760395.4476 -4.1329 -4.0593 PRESSURE: 176000 33.8526 106.481 -141.368 106.48 -192.701 -2.0325 -141.368 -2.03317 79.6113 GPRESSURE: 176000 105.3 28.1412 -188.383 173.033 -94.6266 -6.30525 -224.23 44.8774 -0.562987 PRESSAVG: 176000 36.99 21.8004 1.94574 21.8003 -21.4086 28.5501 1.9458 28.5502 -10.7839 GPRESSAVG: 176000 37.7387 21.9266 0.823029 20.885 -20.8863 28.7968 2.74827 27.8319 -11.9115 TIMING: 176000 CPU: 555.937, 0.00313606/step Wall: 555.937, 0.00313606/step, 4.20232 hours remaining, 232.671875 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: 176000 3971.3336 20590.3598 14442.2435 244.6511 -203317.0727 2661.7634 0.0000 0.0000 52278.4002 -109128.3211 300.4447 -161406.7214 -108775.8899 300.2162 -26.4123 3.3702 761266.9058 1.5991 1.6470 PRESSURE: 176200 -304.544 83.3223 5.98396 83.3209 -62.5849 32.0568 5.98411 32.0559 118.819 GPRESSURE: 176200 -245.511 91.3317 22.2825 99.0741 -6.4032 -85.2509 85.4939 28.8662 78.1219 PRESSAVG: 176200 6.61938 42.342 27.2688 42.342 -69.7216 33.8081 27.2688 33.8081 4.61526 GPRESSAVG: 176200 6.97959 42.3869 26.9635 42.2301 -70.6043 32.8293 26.1912 33.6059 4.84913 TIMING: 176200 CPU: 556.57, 0.00316301/step Wall: 556.57, 0.00316301/step, 4.23825 hours remaining, 232.671875 MB of memory in use. ENERGY: 176200 4067.9340 20355.6566 14440.6960 252.6292 -203473.3941 2950.4097 0.0000 0.0000 51902.6906 -109503.3781 298.2855 -161406.0686 -109129.7305 299.5841 -82.7700 -57.9309 761549.6892 -19.4957 -19.5919 LDB: ============= START OF LOAD BALANCING ============== 569.103 LDB: ============== END OF LOAD BALANCING =============== 569.103 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 569.105 LDB: ============= START OF LOAD BALANCING ============== 569.42 LDB: Largest compute 7077 load 0.030779 is 15.8% of average load 0.195091 LDB: Average compute 0.004378 is 2.2% of average load 0.195091 LDB: TIME 569.424 LOAD: AVG 0.195091 MAX 0.213798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.891 MB LDB: TIME 569.424 LOAD: AVG 0.195091 MAX 0.213798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.891 MB LDB: TIME 569.424 LOAD: AVG 0.195091 MAX 0.213798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.891 MB LDB: ============== END OF LOAD BALANCING =============== 569.426 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 569.431 PRESSURE: 176400 -56.2391 162.718 -92.692 162.717 1.82382 144.169 -92.6912 144.168 -84.7651 GPRESSURE: 176400 -81.4839 141.36 -92.5029 48.6515 63.2638 91.979 -130.243 200.822 -47.7931 PRESSAVG: 176400 56.6564 61.0233 -62.4892 61.0233 -14.8984 55.3212 -62.4893 55.3212 -18.906 GPRESSAVG: 176400 55.1608 61.4826 -62.6077 61.4826 -13.6075 55.6839 -61.057 56.5604 -18.8718 TIMING: 176400 CPU: 557.214, 0.00322006/step Wall: 557.214, 0.00322006/step, 4.31452 hours remaining, 232.535156 MB of memory in use. ENERGY: 176400 3909.9970 20574.3617 14385.0061 255.4831 -203324.6996 2630.9456 0.0000 0.0000 52174.7037 -109394.2024 299.8487 -161568.9062 -109029.0861 298.8355 -46.3935 -22.0044 762701.2738 7.6173 7.5605 PRESSURE: 176600 30.6744 -125.41 103.998 -125.41 -288.89 11.4027 103.997 11.4008 196.11 GPRESSURE: 176600 98.3115 -100.315 32.9179 4.01373 -289.57 -9.68764 120.063 43.2624 190.13 PRESSAVG: 176600 42.2954 17.738 -3.44455 17.738 -34.8855 29.0579 -3.44447 29.0579 5.81452 GPRESSAVG: 176600 41.502 17.5019 -3.92925 18.643 -34.2561 28.7894 -2.46115 28.6049 6.1179 TIMING: 176600 CPU: 557.842, 0.00314086/step Wall: 557.842, 0.00314086/step, 4.20823 hours remaining, 232.535156 MB of memory in use. ENERGY: 176600 3993.1494 20718.7070 14462.1192 247.3872 -203362.3909 2718.7912 0.0000 0.0000 52107.0025 -109115.2345 299.4597 -161222.2369 -108757.4135 299.6577 -20.7021 -0.3760 761585.6087 4.4081 4.4546 PRESSURE: 176800 52.6008 -15.9558 36.9404 -15.9559 -83.7387 -49.7261 36.9402 -49.7273 261.866 GPRESSURE: 176800 48.7377 -13.4338 55.0185 -52.714 30.564 26.9732 93.2375 -80.4368 218.843 PRESSAVG: 176800 72.4143 4.10055 -11.5547 4.10053 -39.6013 -1.32967 -11.5547 -1.32957 -1.45952 GPRESSAVG: 176800 72.2263 5.97704 -9.05754 3.85723 -39.6286 -0.953093 -13.1779 0.13714 -1.3504 TIMING: 176800 CPU: 558.473, 0.00315212/step Wall: 558.473, 0.00315212/step, 4.22314 hours remaining, 232.796875 MB of memory in use. ENERGY: 176800 3947.3040 20716.4303 14486.2366 245.2942 -202957.2457 2605.4725 0.0000 0.0000 51922.0468 -109034.4613 298.3967 -160956.5080 -108675.2987 299.5286 76.9093 99.3817 761642.6264 10.4512 10.4158 PRESSURE: 177000 211.993 111.764 -50.7133 111.764 -306.365 69.426 -50.7134 69.4271 -200.025 GPRESSURE: 177000 155.083 40.9521 -49.3006 60.325 -202.869 -5.77764 -6.12687 88.5472 -169.266 PRESSAVG: 177000 91.0625 -22.2697 -11.4761 -22.2696 -79.6472 23.2366 -11.4762 23.2367 -12.4471 GPRESSAVG: 177000 89.8763 -24.4291 -12.3598 -23.6923 -78.0867 23.8413 -11.8198 22.275 -12.9825 TIMING: 177000 CPU: 559.104, 0.00315489/step Wall: 559.104, 0.00315489/step, 4.22667 hours remaining, 232.796875 MB of memory in use. ENERGY: 177000 4026.7730 20639.0869 14534.9030 252.4830 -203305.9046 2465.7221 0.0000 0.0000 52235.3392 -109151.5974 300.1972 -161386.9366 -108778.7150 300.1973 -98.1322 -72.3509 761626.5245 -0.3440 -0.3976 PRESSURE: 177200 -66.6371 27.991 170.16 27.9902 -45.2781 -33.3785 170.16 -33.3792 -319.315 GPRESSURE: 177200 -49.6015 -6.37634 175.153 34.49 53.0364 41.5474 100.187 -87.8433 -346.746 PRESSAVG: 177200 29.2996 -2.45249 -10.8702 -2.4525 -18.2476 52.5641 -10.8702 52.5642 19.8641 GPRESSAVG: 177200 31.1695 -1.80044 -9.89 -1.46483 -21.2483 52.1952 -8.58972 51.2218 20.9879 TIMING: 177200 CPU: 559.734, 0.00315006/step Wall: 559.734, 0.00315006/step, 4.22003 hours remaining, 232.796875 MB of memory in use. ENERGY: 177200 4009.2884 20527.5577 14551.8396 238.4610 -203075.2506 2531.4267 0.0000 0.0000 51824.0710 -109392.6062 297.8336 -161216.6772 -109022.9801 299.6691 -143.7433 -114.4370 761929.3394 10.3054 10.3030 PRESSURE: 177400 165.437 61.0723 205.182 61.0733 -138.571 144.2 205.182 144.2 249.418 GPRESSURE: 177400 220.041 26.6397 173.325 94.2628 -134.058 196.687 106.533 182.193 278.018 PRESSAVG: 177400 73.8094 5.40036 19.6741 5.40043 -65.802 56.4018 19.6741 56.4018 23.9847 GPRESSAVG: 177400 72.9833 3.8853 19.1858 6.69158 -65.1524 57.596 17.5782 58.1236 23.8987 TIMING: 177400 CPU: 560.363, 0.00314937/step Wall: 560.363, 0.00314937/step, 4.21893 hours remaining, 232.796875 MB of memory in use. ENERGY: 177400 3918.5716 20770.1862 14520.6085 249.5030 -203485.6278 2536.3937 0.0000 0.0000 51706.3327 -109784.0322 297.1570 -161490.3648 -109427.4219 298.0903 92.0944 121.3337 762965.3387 10.6640 10.5765 PRESSURE: 177600 -262.635 -64.2222 -188.242 -64.2222 -386.318 7.45635 -188.241 7.45721 -88.9441 GPRESSURE: 177600 -231.819 -150.205 -191.297 -139.48 -364.847 87.08 -1.90845 -96.2857 -80.32 PRESSAVG: 177600 75.4988 14.013 -54.8313 14.013 -93.5332 28.6988 -54.8314 28.6988 -18.8506 GPRESSAVG: 177600 74.9896 14.5586 -56.4091 12.8884 -93.5049 28.9792 -52.021 28.1467 -18.8366 TIMING: 177600 CPU: 560.997, 0.00316838/step Wall: 560.997, 0.00316838/step, 4.24422 hours remaining, 232.796875 MB of memory in use. ENERGY: 177600 3934.2194 20500.4842 14521.0363 251.5234 -203387.3785 2311.9341 0.0000 0.0000 52100.8414 -109767.3398 299.4243 -161868.1811 -109405.6812 298.0210 -245.9658 -225.6620 761797.2857 -12.2950 -12.4507 PRESSURE: 177800 281.688 62.4328 198.809 62.4334 58.3435 -94.7278 198.81 -94.7285 400.006 GPRESSURE: 177800 142.631 -4.49966 254.032 99.1315 185.216 -94.4984 148.425 -6.74279 493.73 PRESSAVG: 177800 25.4676 13.7391 -14.8466 13.7391 -47.7678 0.687239 -14.8466 0.687244 11.0737 GPRESSAVG: 177800 25.7857 13.3217 -12.8605 13.6316 -47.6898 -0.30936 -17.6763 1.12378 10.8018 TIMING: 177800 CPU: 561.633, 0.00317837/step Wall: 561.633, 0.00317837/step, 4.25742 hours remaining, 232.796875 MB of memory in use. ENERGY: 177800 3959.6801 20391.4964 14485.6541 269.6791 -203769.6365 2876.3981 0.0000 0.0000 51987.9613 -109798.7674 298.7755 -161786.7287 -109434.6336 298.2811 246.6793 273.8590 760008.9389 -3.7422 -3.7007 PRESSURE: 178000 -116.224 -105.725 -5.39851 -105.726 -213.641 -45.0085 -5.39861 -45.0077 158.255 GPRESSURE: 178000 -117.894 -78.6288 -72.783 -84.228 -137.326 -1.17776 89.4395 172.408 160.537 PRESSAVG: 178000 -13.5067 40.2086 -58.7815 40.2086 29.7174 25.3463 -58.7815 25.3463 -17.5859 GPRESSAVG: 178000 -13.4918 40.7042 -59.4082 40.9578 30.1502 26.0765 -57.3411 24.5365 -18.0505 TIMING: 178000 CPU: 562.268, 0.00317618/step Wall: 562.268, 0.00317618/step, 4.25432 hours remaining, 232.796875 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: 178000 3893.2084 20532.0520 14440.7027 242.4640 -203269.7014 2425.8050 0.0000 0.0000 51778.2591 -109957.2102 297.5704 -161735.4693 -109595.1374 297.8298 -57.2033 -31.5610 760183.0557 -0.4584 -0.4640 PRESSURE: 178200 20.0196 130.072 -213.343 130.072 196.687 -341.194 -213.343 -341.193 606.806 GPRESSURE: 178200 120.821 191.587 -102.71 181.509 264.457 -323.326 -115.149 -190.36 534.665 PRESSAVG: 178200 -30.2112 45.1838 -37.482 45.1838 37.4125 8.40638 -37.482 8.40639 11.0639 GPRESSAVG: 178200 -29.3351 47.673 -37.6052 44.8313 35.9001 8.80499 -38.3439 11.4014 11.4209 TIMING: 178200 CPU: 562.903, 0.00317551/step Wall: 562.903, 0.00317551/step, 4.25324 hours remaining, 232.796875 MB of memory in use. ENERGY: 178200 4005.6640 20526.3168 14448.9738 256.5652 -203684.1132 2832.7912 0.0000 0.0000 51842.2936 -109771.5086 297.9384 -161613.8022 -109412.6226 298.2973 274.5042 306.6479 759541.8882 6.0884 5.9953 PRESSURE: 178400 -355.938 424.823 -111.02 424.824 212.779 -79.7696 -111.02 -79.7694 -4.93953 GPRESSURE: 178400 -273.833 330.925 -181.3 366.876 101.395 -87.7131 -18.2855 -51.8189 108.836 PRESSAVG: 178400 30.4289 -18.563 44.4354 -18.563 41.2445 31.5765 44.4354 31.5766 24.4405 GPRESSAVG: 178400 29.4619 -21.7394 42.9517 -18.006 42.0778 30.7623 47.5116 29.2329 24.4168 TIMING: 178400 CPU: 563.536, 0.00316307/step Wall: 563.536, 0.00316307/step, 4.23641 hours remaining, 232.796875 MB of memory in use. ENERGY: 178400 4010.9922 20489.2890 14440.6788 252.9143 -203155.5598 2484.4999 0.0000 0.0000 51695.3664 -109781.8193 297.0940 -161477.1857 -109420.8579 298.0239 -49.3659 -21.2006 760441.3806 32.0380 31.9855 PRESSURE: 178600 212.358 40.8695 89.7831 40.8698 -277.059 -52.7009 89.783 -52.7004 -222.662 GPRESSURE: 178600 177.258 -0.311995 59.6021 -69.104 -208.967 26.7577 65.6719 -30.6837 -171.236 PRESSAVG: 178600 -18.1412 22.2846 31.1596 22.2846 16.5347 10.035 31.1596 10.0351 -10.1789 GPRESSAVG: 178600 -18.3778 23.5527 31.7526 19.853 15.8939 10.4836 29.1013 9.96078 -9.4119 TIMING: 178600 CPU: 564.174, 0.00319145/step Wall: 564.174, 0.00319145/step, 4.27424 hours remaining, 233.000000 MB of memory in use. ENERGY: 178600 4033.0325 20564.8168 14469.6557 267.2472 -203312.4904 2518.0226 0.0000 0.0000 51770.4374 -109689.2780 297.5254 -161459.7154 -109344.7192 298.3831 -95.7879 -67.6482 759426.2527 -3.9284 -3.9653 PRESSURE: 178800 163.404 114.581 -82.3886 114.581 -287.961 15.1173 -82.3899 15.116 -169.958 GPRESSURE: 178800 226.071 107.006 -87.0497 159.728 -221.165 4.42561 -106.878 35.313 -211.448 PRESSAVG: 178800 91.4473 17.204 -41.5726 17.2041 -75.1271 15.3825 -41.5725 15.3825 15.7985 GPRESSAVG: 178800 91.4338 16.3342 -40.7534 19.3322 -74.0924 14.1115 -42.0493 15.7303 14.4915 TIMING: 178800 CPU: 564.807, 0.00316616/step Wall: 564.807, 0.00316616/step, 4.24019 hours remaining, 233.000000 MB of memory in use. ENERGY: 178800 4011.0917 20428.8358 14507.2553 247.7733 -203448.3267 2558.9966 0.0000 0.0000 51998.8666 -109695.5073 298.8382 -161694.3739 -109334.2691 298.5625 -98.1714 -68.8474 761170.4045 10.7062 10.6110 PRESSURE: 179000 -250.611 -52.4225 137.229 -52.423 -107.442 71.9583 137.229 71.9583 -28.7072 GPRESSURE: 179000 -183.276 1.02154 103.901 -85.1455 -103.378 102.105 69.2258 8.12907 -13.2554 PRESSAVG: 179000 11.9668 -5.87255 41.655 -5.87256 -34.8878 -7.21096 41.6549 -7.21103 10.8902 GPRESSAVG: 179000 11.8738 -3.98822 40.3422 -7.1078 -35.6146 -7.72181 43.0008 -6.69217 11.1997 TIMING: 179000 CPU: 565.439, 0.00316103/step Wall: 565.439, 0.00316103/step, 4.23314 hours remaining, 233.066406 MB of memory in use. ENERGY: 179000 4031.3952 20530.6447 14492.8235 234.6942 -203281.5465 2655.1001 0.0000 0.0000 51776.8169 -109560.0719 297.5621 -161336.8887 -109215.2473 298.8167 -128.9201 -99.9698 761498.9993 -4.0103 -4.1804 PRESSURE: 179200 127.48 -65.2452 -39.9336 -65.2462 -89.6371 -15.7574 -39.9335 -15.7568 -2.29248 GPRESSURE: 179200 172.088 -41.3549 36.0835 -8.23852 -94.6389 61.3528 -19.6847 114.808 7.32504 PRESSAVG: 179200 60.0936 -30.1448 31.5159 -30.1448 -9.04166 60.3741 31.5159 60.3741 -3.81356 GPRESSAVG: 179200 61.2018 -32.5803 33.5327 -28.7195 -9.60424 61.8245 31.4447 62.5452 -4.31035 TIMING: 179200 CPU: 566.074, 0.00317157/step Wall: 566.074, 0.00317157/step, 4.24709 hours remaining, 233.066406 MB of memory in use. ENERGY: 179200 3990.7727 20653.1184 14507.3755 234.6855 -203322.7786 2523.7068 0.0000 0.0000 51903.9864 -109509.1334 298.2929 -161413.1198 -109148.0786 298.6213 11.8500 28.2580 759673.7435 15.7461 15.7624 PRESSURE: 179400 -33.5624 25.6707 109.981 25.671 -0.830178 53.2017 109.982 53.2013 -207.451 GPRESSURE: 179400 16.7459 -72.2576 113.16 19.8722 29.6134 10.6132 12.1791 50.2618 -195.101 PRESSAVG: 179400 24.6503 21.6239 35.2534 21.624 -18.2803 13.1546 35.2535 13.1546 0.697392 GPRESSAVG: 179400 23.8005 24.0704 35.6099 20.9452 -18.6247 14.0495 35.0451 12.2544 1.90458 TIMING: 179400 CPU: 566.707, 0.00316592/step Wall: 566.707, 0.00316592/step, 4.23934 hours remaining, 233.066406 MB of memory in use. ENERGY: 179400 4112.2769 20499.3177 14475.6042 238.5827 -203497.9894 2638.7221 0.0000 0.0000 51929.3637 -109604.1221 298.4388 -161533.4858 -109245.5364 298.7912 -80.6146 -49.5805 759356.3040 2.3558 2.3601 PRESSURE: 179600 -118.282 -154.256 -6.92535 -154.256 488.298 62.8766 -6.92482 62.8772 9.91923 GPRESSURE: 179600 -89.1967 -148.954 66.8639 -75.3924 523.913 13.2657 31.5078 111.081 35.5352 PRESSAVG: 179600 -11.6134 6.10028 28.6385 6.10032 5.83684 22.1945 28.6385 22.1944 4.79444 GPRESSAVG: 179600 -11.0264 4.73082 29.4425 6.10722 6.60284 20.4127 28.5334 20.0648 3.68327 TIMING: 179600 CPU: 567.336, 0.00314355/step Wall: 567.336, 0.00314354/step, 4.20921 hours remaining, 233.066406 MB of memory in use. ENERGY: 179600 4073.7550 20491.5570 14448.9827 261.7350 -203896.6365 2948.9647 0.0000 0.0000 52155.7552 -109515.8867 299.7398 -161671.6420 -109152.6957 298.6729 126.6452 156.7507 760866.0005 -0.3274 -0.2468 PRESSURE: 179800 482.558 -71.9698 110.806 -71.9704 -86.782 -102.276 110.807 -102.276 -180.826 GPRESSURE: 179800 421.741 -8.7628 100.454 -69.2886 89.8579 -41.3157 121.393 0.206421 -236.488 PRESSAVG: 179800 33.5107 -10.02 1.54587 -10.02 -16.6392 -27.0637 1.54592 -27.0635 3.22472 GPRESSAVG: 179800 33.0424 -7.23823 -0.724131 -11.5078 -15.978 -26.8786 1.99076 -28.0612 3.39084 TIMING: 179800 CPU: 567.965, 0.00314917/step Wall: 567.965, 0.00314917/step, 4.21656 hours remaining, 233.066406 MB of memory in use. ENERGY: 179800 3948.1940 20494.9563 14541.0326 255.2382 -203219.7508 2487.5238 0.0000 0.0000 52076.1824 -109416.6234 299.2825 -161492.8058 -109038.1011 299.2708 71.6501 91.7036 761204.9691 6.6987 6.8184 PRESSURE: 180000 -173.958 49.3607 -121.193 49.3606 231.895 -107.753 -121.192 -107.752 -199.885 GPRESSURE: 180000 -111.797 -37.9614 -151.069 26.5551 196.076 -101.097 -109.169 38.5365 -155.203 PRESSAVG: 180000 -2.89279 -61.8855 6.36154 -61.8855 21.9744 -51.3809 6.36159 -51.381 -12.7094 GPRESSAVG: 180000 -2.72333 -65.5992 7.2128 -59.2468 21.6471 -51.79 3.83962 -49.6332 -12.8148 TIMING: 180000 CPU: 568.593, 0.00313636/step Wall: 568.593, 0.00313636/step, 4.19924 hours remaining, 233.066406 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: 180000 3921.5699 20583.1339 14517.6594 245.9112 -202840.0312 2328.0099 0.0000 0.0000 51689.5902 -109554.1568 297.0608 -161243.7470 -109188.6365 298.7979 -47.3160 -23.6413 762015.1622 2.1241 2.0363 PRESSURE: 180200 303.364 260.323 29.174 260.323 -113.809 -21.8172 29.1747 -21.8177 181.098 GPRESSURE: 180200 357.016 133.04 98.165 209.824 27.4915 -33.4415 23.3072 -119.341 79.2761 PRESSAVG: 180200 50.2978 -10.8814 -1.00728 -10.8814 -46.2248 -42.3641 -1.00725 -42.364 17.1345 GPRESSAVG: 180200 51.7555 -10.2336 -1.36009 -11.4845 -46.9462 -40.3487 1.3422 -43.3537 16.5389 TIMING: 180200 CPU: 569.219, 0.00313157/step Wall: 569.219, 0.00313157/step, 4.19264 hours remaining, 233.066406 MB of memory in use. ENERGY: 180200 3965.2575 20472.6336 14433.2334 251.7343 -203688.0972 2799.4245 0.0000 0.0000 52099.1715 -109666.6423 299.4147 -161765.8138 -109293.4506 298.8287 123.5509 154.5947 760378.8979 7.0692 7.1161 LDB: ============= START OF LOAD BALANCING ============== 581.752 LDB: ============== END OF LOAD BALANCING =============== 581.752 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 581.754 LDB: ============= START OF LOAD BALANCING ============== 582.072 LDB: Largest compute 7060 load 0.030355 is 15.6% of average load 0.194837 LDB: Average compute 0.004385 is 2.3% of average load 0.194837 LDB: TIME 582.076 LOAD: AVG 0.194837 MAX 0.21632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.809 MB LDB: TIME 582.076 LOAD: AVG 0.194837 MAX 0.21632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.809 MB LDB: TIME 582.076 LOAD: AVG 0.194837 MAX 0.21632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.809 MB LDB: ============== END OF LOAD BALANCING =============== 582.078 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 582.083 PRESSURE: 180400 -242.269 153.249 -164.063 153.249 -355.568 305.571 -164.063 305.571 -77.3143 GPRESSURE: 180400 -284.431 280.925 -19.9901 44.7824 -246.096 275.823 -140.821 321.334 -59.3673 PRESSAVG: 180400 65.9186 53.0807 -25.5594 53.0807 -9.42118 11.5207 -25.5594 11.5208 -2.96018 GPRESSAVG: 180400 63.5981 54.7476 -25.559 51.5877 -8.86518 11.1978 -24.0421 11.4639 -1.03118 TIMING: 180400 CPU: 569.866, 0.00323491/step Wall: 569.866, 0.00323491/step, 4.33082 hours remaining, 231.320312 MB of memory in use. ENERGY: 180400 3953.8413 20546.9839 14501.6183 256.0106 -203084.7053 2308.0246 0.0000 0.0000 51723.0691 -109795.1575 297.2532 -161518.2266 -109438.7058 298.4869 -225.0505 -196.6316 761836.9974 17.8458 17.9006 PRESSURE: 180600 88.1744 -340.565 -153.655 -340.565 185.969 -219.281 -153.656 -219.28 155.062 GPRESSURE: 180600 207.842 -267.558 -137.91 -321.416 122.124 -173.875 -168.825 -56.4961 192.914 PRESSAVG: 180600 47.3937 -1.2243 -15.4678 -1.22427 -70.682 -51.9015 -15.4679 -51.9015 -22.2242 GPRESSAVG: 180600 49.1495 -1.71878 -15.3699 -0.549737 -71.1297 -53.285 -16.7769 -51.9521 -23.1454 TIMING: 180600 CPU: 570.498, 0.00316128/step Wall: 570.498, 0.00316128/step, 4.23208 hours remaining, 231.320312 MB of memory in use. ENERGY: 180600 3945.9212 20310.6906 14422.9535 254.7404 -203423.3613 2501.6442 0.0000 0.0000 51930.6595 -110056.7519 298.4462 -161987.4113 -109694.9930 297.6780 143.0684 174.2933 759757.2060 -15.1708 -15.0419 PRESSURE: 180800 15.8061 -9.22207 34.1899 -9.2221 -14.8528 -53.8851 34.1901 -53.8851 111.614 GPRESSURE: 180800 54.5392 -101.066 -15.5469 95.5239 9.91345 -41.7228 -17.2102 40.2844 111.17 PRESSAVG: 180800 31.4252 -10.934 2.78812 -10.9339 -70.5476 12.5791 2.78805 12.5791 -22.1655 GPRESSAVG: 180800 31.2145 -13.1499 1.32272 -10.6798 -70.4569 12.793 1.60624 12.2474 -22.4014 TIMING: 180800 CPU: 571.129, 0.00315415/step Wall: 571.129, 0.00315415/step, 4.22236 hours remaining, 231.355469 MB of memory in use. ENERGY: 180800 3952.1399 20563.5695 14377.5280 252.2731 -203532.9300 2589.9471 0.0000 0.0000 51950.6862 -109846.7861 298.5613 -161797.4724 -109485.7303 297.8717 37.5223 58.5410 761989.0552 -20.4293 -20.5480 PRESSURE: 181000 -26.3335 -109.197 106.756 -109.197 -300.391 107.756 106.756 107.756 65.9914 GPRESSURE: 181000 -58.0048 -76.0952 71.8587 -79.8915 -187.432 15.4975 -15.7667 33.638 81.2943 PRESSAVG: 181000 39.2145 9.90697 -29.5603 9.90699 -55.2716 2.75643 -29.5603 2.75643 -28.1111 GPRESSAVG: 181000 38.1978 12.2952 -26.9503 9.85029 -54.0923 2.96617 -29.3927 3.78234 -28.3742 TIMING: 181000 CPU: 571.76, 0.00315678/step Wall: 571.76, 0.00315678/step, 4.2257 hours remaining, 231.355469 MB of memory in use. ENERGY: 181000 3994.2109 20347.8773 14457.4872 224.5520 -203513.9011 2598.6204 0.0000 0.0000 52053.8145 -109837.3388 299.1540 -161891.1534 -109473.9266 298.7986 -86.9110 -54.7141 761580.9363 -14.7228 -14.7562 PRESSURE: 181200 70.5539 25.6954 153.012 25.6949 -352.171 215.489 153.012 215.489 50.3633 GPRESSURE: 181200 68.0995 -85.727 251.817 57.7994 -253.828 89.2803 199.409 80.2087 46.7119 PRESSAVG: 181200 63.7021 62.9854 -46.3429 62.9853 -32.9655 -8.39419 -46.3429 -8.39423 9.18664 GPRESSAVG: 181200 63.7756 61.7443 -47.1558 64.8016 -33.9025 -8.91994 -44.2494 -10.0119 9.9629 TIMING: 181200 CPU: 572.389, 0.00314065/step Wall: 572.389, 0.00314065/step, 4.20393 hours remaining, 231.355469 MB of memory in use. ENERGY: 181200 3929.1549 20507.8624 14458.0883 241.1068 -203655.6967 2565.8748 0.0000 0.0000 51942.7011 -110010.9085 298.5154 -161953.6095 -109656.4711 297.8006 -77.0847 -46.3389 761700.3981 13.3077 13.2787 PRESSURE: 181400 -24.0506 -319.41 -51.5132 -319.411 -264.225 213.526 -51.5136 213.526 -96.5329 GPRESSURE: 181400 46.3071 -265.954 -73.8448 -201.247 -226.667 192.178 23.4206 172.036 -140.038 PRESSAVG: 181400 22.67 7.80349 -9.10102 7.80348 -48.2 3.07018 -9.10107 3.07017 -21.0583 GPRESSAVG: 181400 24.234 9.08775 -10.4535 6.62176 -48.7236 4.99397 -10.5715 4.00727 -22.2603 TIMING: 181400 CPU: 573.022, 0.00316536/step Wall: 573.022, 0.00316536/step, 4.23683 hours remaining, 231.355469 MB of memory in use. ENERGY: 181400 4042.7402 20540.4546 14438.8771 250.2698 -203685.6518 2654.6244 0.0000 0.0000 51550.8649 -110207.8208 296.2635 -161758.6857 -109850.7093 297.4957 -128.2696 -106.7993 761153.1621 -15.5295 -15.5833 PRESSURE: 181600 18.783 47.0866 -96.3732 47.0873 -413.709 -54.0819 -96.3742 -54.0821 -413.165 GPRESSURE: 181600 56.9057 4.10228 -194.966 65.3718 -376.001 -83.3859 117.676 28.629 -395.153 PRESSAVG: 181600 79.7312 -6.98434 -44.1834 -6.98435 -62.6349 11.9181 -44.1834 11.9181 -21.0873 GPRESSAVG: 181600 80.3257 -7.82502 -43.3849 -8.22811 -62.9002 11.0868 -43.8984 12.1679 -21.235 TIMING: 181600 CPU: 573.655, 0.00316594/step Wall: 573.655, 0.00316594/step, 4.23744 hours remaining, 231.355469 MB of memory in use. ENERGY: 181600 4001.9941 20476.2878 14454.7067 240.9742 -203496.2658 2331.2088 0.0000 0.0000 51816.5590 -110174.5352 297.7905 -161991.0942 -109814.6991 297.6127 -269.3638 -238.0825 760488.2974 -1.3303 -1.2699 PRESSURE: 181800 -222.897 81.9324 70.7483 81.932 -399.463 142.7 70.7482 142.7 -112.242 GPRESSURE: 181800 -113.494 118.085 97.6608 19.9386 -405.217 75.6047 65.3222 -40.1657 -124.643 PRESSAVG: 181800 70.0349 15.0127 -46.1028 15.0127 -71.6812 -34.3002 -46.1028 -34.3002 4.42329 GPRESSAVG: 181800 69.43 14.5601 -45.7117 16.6037 -70.9089 -35.2191 -47.9249 -35.1296 4.44739 TIMING: 181800 CPU: 574.285, 0.00315193/step Wall: 574.285, 0.00315193/step, 4.21851 hours remaining, 231.355469 MB of memory in use. ENERGY: 181800 3973.6170 20479.2391 14447.4514 244.3112 -203228.7812 2305.7976 0.0000 0.0000 51813.4894 -109964.8755 297.7728 -161778.3649 -109605.2840 297.8111 -244.8670 -214.4510 760654.3488 0.9256 0.9895 PRESSURE: 182000 354.145 -193.768 -47.8072 -193.768 190.487 282.761 -47.8075 282.762 91.6825 GPRESSURE: 182000 313.584 -158.288 -55.2346 -93.7903 192.984 270.08 -104.777 186.855 200.476 PRESSAVG: 182000 54.0037 61.1019 -23.6308 61.1018 -61.2198 33.3847 -23.6308 33.3845 -6.76379 GPRESSAVG: 182000 52.8294 62.7989 -22.043 59.4645 -61.7795 32.4142 -24.2399 33.9796 -5.45168 TIMING: 182000 CPU: 574.92, 0.00317416/step Wall: 574.92, 0.00317416/step, 4.24808 hours remaining, 231.355469 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: 182000 3986.8790 20376.9571 14446.8704 246.7424 -204180.5480 3017.4281 0.0000 0.0000 51765.8230 -110339.8480 297.4989 -162105.6710 -109974.2370 297.6044 212.1049 235.6813 759770.8530 -4.6599 -4.8006 PRESSURE: 182200 -16.7504 -27.7596 -13.7068 -27.7598 -4.81154 -217.182 -13.7072 -217.182 -178.213 GPRESSURE: 182200 75.2647 -18.9756 -86.1576 -167.275 -42.1685 -178.737 25.2898 -133.221 -127.925 PRESSAVG: 182200 -40.3548 14.1414 -37.2053 14.1414 33.2372 -8.14827 -37.2053 -8.14814 26.7593 GPRESSAVG: 182200 -40.9394 14.9858 -40.5324 15.1001 35.2449 -6.18147 -35.5723 -7.37335 25.891 TIMING: 182200 CPU: 575.551, 0.00315232/step Wall: 575.551, 0.00315232/step, 4.21867 hours remaining, 231.355469 MB of memory in use. ENERGY: 182200 3998.3973 20519.9572 14418.4814 236.4338 -203601.3845 2639.5849 0.0000 0.0000 51482.5810 -110305.9490 295.8711 -161788.5299 -109949.8934 297.0534 -66.5917 -31.6096 761444.8344 6.5472 6.7322 PRESSURE: 182400 -210.72 -42.119 7.73866 -42.1187 -31.2839 -100.301 7.73914 -100.301 -198.316 GPRESSURE: 182400 -96.1931 -39.9236 52.2115 -48.5037 -14.7367 -50.009 12.2162 -84.6503 -230.244 PRESSAVG: 182400 -20.7828 8.07193 -49.3334 8.07198 4.84147 41.7662 -49.3335 41.7663 -18.5549 GPRESSAVG: 182400 -20.9458 5.65683 -47.1086 9.10724 3.99695 40.9156 -50.87 40.3736 -18.2291 TIMING: 182400 CPU: 576.181, 0.00315075/step Wall: 576.181, 0.00315075/step, 4.2164 hours remaining, 231.355469 MB of memory in use. ENERGY: 182400 3977.5839 20438.3715 14529.6056 241.2871 -203131.1355 2284.3845 0.0000 0.0000 51678.2407 -109981.6622 296.9956 -161659.9029 -109624.1912 297.6861 -146.7731 -113.7247 761379.4174 -11.4987 -11.7260 PRESSURE: 182600 4.85578 86.1834 -305.969 86.1833 96.3673 -52.1523 -305.968 -52.1509 329.003 GPRESSURE: 182600 -53.6571 206.168 -323.903 46.215 199.666 -153.891 -326.081 -183.764 356.51 PRESSAVG: 182600 47.3157 25.4383 -22.9559 25.4384 -74.6368 14.4237 -22.9559 14.4237 -1.2456 GPRESSAVG: 182600 47.7105 26.0237 -23.3118 23.4386 -75.2135 13.8677 -21.7216 15.4761 -0.6324 TIMING: 182600 CPU: 576.809, 0.00314093/step Wall: 576.809, 0.00314093/step, 4.20309 hours remaining, 231.355469 MB of memory in use. ENERGY: 182600 3924.5086 20578.1882 14414.5406 266.1737 -203994.3338 2867.9570 0.0000 0.0000 51923.3029 -110019.6628 298.4039 -161942.9657 -109661.2597 297.9136 143.4087 167.5064 760528.0307 -9.5222 -9.3785 PRESSURE: 182800 19.7094 150.1 119.435 150.099 459.167 126.972 119.435 126.972 82.5348 GPRESSURE: 182800 -4.73676 99.9992 151.403 177.835 499.12 141.264 -4.08389 103.757 145.488 PRESSAVG: 182800 -25.57 32.2476 -21.6401 32.2476 25.0029 4.0792 -21.6401 4.07922 17.0569 GPRESSAVG: 182800 -25.9345 32.5558 -21.9605 31.844 25.9457 5.68999 -24.172 4.17768 16.5201 TIMING: 182800 CPU: 577.438, 0.00314456/step Wall: 577.438, 0.00314456/step, 4.20777 hours remaining, 231.355469 MB of memory in use. ENERGY: 182800 4058.5569 20503.5443 14481.0679 240.8008 -203987.8673 3024.0291 0.0000 0.0000 51787.8678 -109892.0004 297.6256 -161679.8683 -109537.3643 298.1026 187.1369 213.2901 760265.4434 5.4966 5.5105 PRESSURE: 183000 258.767 44.1719 -102.051 44.1726 22.4398 -29.1003 -102.051 -29.0994 137.473 GPRESSURE: 183000 317.439 75.4536 -30.522 150.956 6.91011 -99.3817 -275.061 -44.9 184.638 PRESSAVG: 183000 -13.2785 21.1496 -53.3373 21.1496 -17.6753 34.1286 -53.3373 34.1285 -17.8607 GPRESSAVG: 183000 -12.3799 19.7881 -52.2502 24.0152 -18.8807 32.4091 -51.2994 33.4394 -17.4686 TIMING: 183000 CPU: 578.064, 0.00312983/step Wall: 578.064, 0.00312983/step, 4.18788 hours remaining, 231.355469 MB of memory in use. ENERGY: 183000 4014.2678 20421.0269 14412.3083 234.4305 -203716.3927 2856.7196 0.0000 0.0000 51891.4281 -109886.2116 298.2208 -161777.6396 -109519.3437 297.7320 139.5600 169.6623 760036.0284 -16.2715 -16.2431 PRESSURE: 183200 172.633 -15.3036 -73.0912 -15.3034 156.329 57.7852 -73.0909 57.7862 247.985 GPRESSURE: 183200 222.184 27.8014 -78.5437 -30.8044 215.751 30.1902 -74.8679 121.67 216.128 PRESSAVG: 183200 40.0002 -9.75733 -10.8611 -9.75736 -34.2868 -3.18629 -10.8611 -3.18623 -12.8845 GPRESSAVG: 183200 38.1165 -9.4507 -10.8518 -12.2187 -32.7287 -1.92058 -11.7526 -3.6795 -12.9299 TIMING: 183200 CPU: 578.69, 0.00312996/step Wall: 578.69, 0.00312996/step, 4.18789 hours remaining, 231.355469 MB of memory in use. ENERGY: 183200 3992.3892 20548.4365 14455.1369 232.3511 -203653.1823 2807.7207 0.0000 0.0000 51785.5925 -109831.5554 297.6125 -161617.1479 -109474.6265 298.1931 192.3159 218.0213 760143.0241 -2.3904 -2.5141 PRESSURE: 183400 -262.169 151.152 -40.822 151.152 -327.178 -100.105 -40.8215 -100.104 -479.745 GPRESSURE: 183400 -255.533 125.519 -56.5907 209.635 -320.552 -42.7363 65.7574 -24.6118 -428.441 PRESSAVG: 183400 32.3996 25.9297 -41.4973 25.9297 41.775 -7.02169 -41.4973 -7.02171 4.73943 GPRESSAVG: 183400 32.6205 28.4634 -43.5071 26.2509 40.038 -6.24678 -41.4019 -6.80712 6.12043 TIMING: 183400 CPU: 579.319, 0.00314381/step Wall: 579.319, 0.00314381/step, 4.20624 hours remaining, 231.355469 MB of memory in use. ENERGY: 183400 3995.8300 20563.6031 14463.8040 237.3980 -203391.2799 2470.8930 0.0000 0.0000 51807.0598 -109852.6920 297.7359 -161659.7518 -109495.1593 298.4300 -356.3641 -334.8422 762595.3225 26.3047 26.2596 PRESSURE: 183600 333.354 -46.2111 -32.695 -46.2115 -56.8762 100.16 -32.6957 100.161 -219.249 GPRESSURE: 183600 292.446 -92.5587 -86.7741 38.601 69.1994 45.2552 -58.5822 8.50627 -198.488 PRESSAVG: 183600 1.71245 -9.10702 13.25 -9.10705 -16.3455 17.8326 13.25 17.8326 16.6362 GPRESSAVG: 183600 2.36354 -8.92403 15.4136 -9.7996 -15.3518 15.1538 14.9012 18.5668 14.9518 TIMING: 183600 CPU: 579.944, 0.00312802/step Wall: 579.944, 0.00312802/step, 4.18495 hours remaining, 231.355469 MB of memory in use. ENERGY: 183600 3940.5242 20562.1551 14416.9952 247.8785 -203685.6648 2866.0951 0.0000 0.0000 51786.0131 -109866.0036 297.6149 -161652.0167 -109499.9023 297.9572 19.0764 54.3857 762741.2574 0.6677 0.6545 PRESSURE: 183800 -200.684 -219.263 -81.9932 -219.263 8.64694 -118.412 -81.993 -118.412 511.794 GPRESSURE: 183800 -217.561 -87.7537 -138.375 -242.033 45.8933 -85.9862 -26.0162 -61.04 590.017 PRESSAVG: 183800 26.6496 -35.9295 -28.3474 -35.9296 -5.59965 -30.8488 -28.3474 -30.8488 23.2615 GPRESSAVG: 183800 27.6819 -38.3651 -29.6685 -35.8457 -7.11492 -29.2362 -29.9447 -33.9926 24.3417 TIMING: 183800 CPU: 580.571, 0.00313237/step Wall: 580.571, 0.00313237/step, 4.19059 hours remaining, 231.355469 MB of memory in use. ENERGY: 183800 3883.0555 20590.9456 14385.9991 243.7770 -203817.0268 2871.2608 0.0000 0.0000 51789.6323 -110052.3564 297.6357 -161841.9887 -109693.5274 297.7175 106.5856 139.4498 763029.5781 14.7705 14.9696 PRESSURE: 184000 69.2862 82.7221 69.3748 82.7219 144.109 -244.665 69.3747 -244.664 150.909 GPRESSURE: 184000 197.775 69.0978 -21.5165 110.655 72.4659 -123.162 143.231 -273.246 168.569 PRESSAVG: 184000 0.40734 -31.7924 5.04321 -31.7925 -1.24872 -73.1229 5.04316 -73.1229 0.741728 GPRESSAVG: 184000 0.00103417 -32.0187 4.87093 -30.0511 0.0231274 -74.3947 2.66234 -70.5504 -0.0604065 TIMING: 184000 CPU: 581.197, 0.00313249/step Wall: 581.197, 0.00313249/step, 4.19057 hours remaining, 231.355469 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: 184000 3980.5405 20787.6030 14410.8280 240.0114 -203589.8367 2748.2719 0.0000 0.0000 51762.3904 -109660.1915 297.4792 -161422.5819 -109310.3876 297.8722 121.4348 146.2700 761129.7704 -0.0332 -0.0121 PRESSURE: 184200 22.3204 -22.2435 123.708 -22.2431 -72.6847 198.249 123.709 198.249 -314.894 GPRESSURE: 184200 2.23185 63.2116 35.8631 -70.0981 -8.61488 166.825 199.547 189.54 -251.66 PRESSAVG: 184200 4.02249 -13.5705 2.17228 -13.5705 -0.619167 -4.50068 2.1723 -4.5007 -7.30827 GPRESSAVG: 184200 3.13664 -12.0354 2.77414 -16.3892 -0.118776 -4.11731 5.11709 -5.14308 -7.0678 TIMING: 184200 CPU: 581.827, 0.00314722/step Wall: 581.827, 0.00314722/step, 4.2101 hours remaining, 231.355469 MB of memory in use. ENERGY: 184200 4054.4546 20517.8130 14467.2095 245.4416 -203216.7637 2431.1943 0.0000 0.0000 51916.8036 -109583.8471 298.3666 -161500.6507 -109227.1666 298.8294 -121.7528 -86.0143 760992.6222 -1.3016 -1.3500 LDB: ============= START OF LOAD BALANCING ============== 594.358 LDB: ============== END OF LOAD BALANCING =============== 594.358 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 594.36 LDB: ============= START OF LOAD BALANCING ============== 594.673 LDB: Largest compute 7060 load 0.031469 is 16.1% of average load 0.194888 LDB: Average compute 0.004386 is 2.3% of average load 0.194888 LDB: TIME 594.676 LOAD: AVG 0.194888 MAX 0.21493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.355 MB LDB: TIME 594.677 LOAD: AVG 0.194888 MAX 0.21493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.43 MB LDB: TIME 594.677 LOAD: AVG 0.194888 MAX 0.21493 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.43 MB LDB: ============== END OF LOAD BALANCING =============== 594.679 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 594.683 PRESSURE: 184400 185.499 -75.3349 -26.9539 -75.3357 457.907 170.304 -26.9532 170.303 237.002 GPRESSURE: 184400 70.3926 -82.3859 -88.9783 32.6929 506.17 222.171 8.03173 217.897 373.348 PRESSAVG: 184400 15.3379 -46.5247 2.54336 -46.5248 -6.80836 -25.0366 2.54337 -25.0367 3.92581 GPRESSAVG: 184400 14.5019 -46.1494 3.84211 -45.3544 -6.20027 -24.9049 2.57508 -25.6484 4.32679 TIMING: 184400 CPU: 582.466, 0.00319978/step Wall: 582.466, 0.00319978/step, 4.28024 hours remaining, 231.867188 MB of memory in use. ENERGY: 184400 3941.2043 20676.4914 14424.0562 260.3527 -203780.1238 2867.2427 0.0000 0.0000 51939.0999 -109671.6766 298.4947 -161610.7765 -109311.0019 298.6746 293.4694 316.6368 760535.2575 4.1518 4.2095 PRESSURE: 184600 192.32 34.5985 38.6489 34.5978 219.435 -189.939 38.6478 -189.939 -273.525 GPRESSURE: 184600 253.977 -45.3333 32.932 27.6002 229.615 -347.613 -32.5936 -42.5125 -256.913 PRESSAVG: 184600 -21.9867 -13.4483 -6.54985 -13.4483 31.1613 -29.8946 -6.5499 -29.8946 4.66105 GPRESSAVG: 184600 -20.7297 -14.1077 -7.35756 -14.071 30.9685 -30.1701 -9.14956 -29.9084 3.52693 TIMING: 184600 CPU: 583.092, 0.0031266/step Wall: 583.092, 0.0031266/step, 4.18218 hours remaining, 232.222656 MB of memory in use. ENERGY: 184600 4019.6946 20585.2596 14385.8305 244.0732 -203546.2296 2642.7440 0.0000 0.0000 51866.0166 -109802.6110 298.0747 -161668.6276 -109439.1128 298.4066 46.0764 75.5597 760671.1948 4.6119 4.5886 PRESSURE: 184800 229.679 -42.075 53.6227 -42.0757 424.439 -15.3559 53.6228 -15.355 360.616 GPRESSURE: 184800 252.975 -73.6385 75.5588 -77.4512 448.524 72.0683 -17.7248 -11.5297 388.48 PRESSAVG: 184800 3.79641 -22.2986 5.09465 -22.2986 3.73882 1.07629 5.09462 1.07633 2.95905 GPRESSAVG: 184800 2.81507 -22.9577 4.501 -21.099 3.32719 1.26625 5.3376 1.749 3.81416 TIMING: 184800 CPU: 583.719, 0.00313476/step Wall: 583.719, 0.00313476/step, 4.19292 hours remaining, 232.222656 MB of memory in use. ENERGY: 184800 3929.9959 20567.4726 14473.0229 232.4470 -203939.1280 2919.9856 0.0000 0.0000 51930.0812 -109886.1229 298.4429 -161816.2041 -109506.0152 298.1345 338.2447 363.3262 761557.5006 3.4981 3.3188 PRESSURE: 185000 -87.3025 -185.72 13.7924 -185.72 27.83 -62.0952 13.7926 -62.0951 34.9335 GPRESSURE: 185000 -73.893 -120.235 -7.34184 -144.928 62.2293 -27.4677 -22.3723 21.9061 73.0134 PRESSAVG: 185000 5.81681 1.59176 39.4492 1.59175 17.4647 19.1543 39.4492 19.1543 13.9984 GPRESSAVG: 185000 6.06695 2.53649 39.9985 1.37245 18.6141 18.7515 41.0776 19.299 13.2291 TIMING: 185000 CPU: 584.345, 0.00313097/step Wall: 584.345, 0.00313097/step, 4.18767 hours remaining, 232.222656 MB of memory in use. ENERGY: 185000 4009.1708 20620.7256 14439.4403 238.7244 -203482.8683 2635.1600 0.0000 0.0000 51746.4925 -109793.1546 297.3878 -161539.6471 -109438.0622 298.0586 -8.1797 20.4499 762303.1685 12.4266 12.6367 PRESSURE: 185200 21.7583 -288.295 10.5399 -288.296 -116.211 49.2823 10.54 49.2823 0.305348 GPRESSURE: 185200 130.171 -255.374 -78.005 -131.019 -74.2608 42.454 166.782 54.0402 -39.2827 PRESSAVG: 185200 59.9257 -28.5089 -5.5897 -28.5089 -2.81993 -17.1407 -5.58971 -17.1407 -25.3289 GPRESSAVG: 185200 61.0054 -28.234 -8.05541 -27.9032 -4.91044 -16.6061 -3.7118 -18.1215 -24.1162 TIMING: 185200 CPU: 584.971, 0.00313191/step Wall: 584.971, 0.00313191/step, 4.18875 hours remaining, 232.222656 MB of memory in use. ENERGY: 185200 3953.0553 20485.0472 14448.0004 251.9562 -203752.2881 2799.7207 0.0000 0.0000 52101.3705 -109713.1377 299.4273 -161814.5083 -109346.5204 298.2407 -31.3824 5.5424 761160.4577 10.5923 10.6596 PRESSURE: 185400 377.211 -25.3607 -176.242 -25.3605 42.1006 -155.163 -176.242 -155.164 -403.892 GPRESSURE: 185400 366.759 -91.9217 -121.378 -1.76424 53.9655 -209.642 -161.21 -93.972 -312.461 PRESSAVG: 185400 -8.10296 0.648836 -17.8082 0.648843 -13.6577 -29.4597 -17.8083 -29.4598 8.89555 GPRESSAVG: 185400 -8.70207 -0.207495 -15.8643 0.981475 -12.0985 -29.0782 -18.5559 -29.273 8.23368 TIMING: 185400 CPU: 585.598, 0.00313566/step Wall: 585.598, 0.00313566/step, 4.19359 hours remaining, 232.222656 MB of memory in use. ENERGY: 185400 3985.7753 20543.5825 14410.2897 255.8956 -203520.1756 2583.8749 0.0000 0.0000 52026.6217 -109714.1359 298.9977 -161740.7576 -109360.9528 298.6605 5.1399 36.0877 761710.7842 -4.2884 -4.1889 PRESSURE: 185600 -157.321 29.1976 129.127 29.199 -76.1066 186.888 129.127 186.888 286.161 GPRESSURE: 185600 -142.792 188.822 52.0068 0.591194 -23.4966 196.418 133.363 162.593 278.997 PRESSAVG: 185600 17.9228 25.8234 39.1584 25.8234 -46.6386 25.1014 39.1584 25.1014 7.66417 GPRESSAVG: 185600 17.2049 27.7143 38.6856 25.1538 -46.3838 25.3143 36.5298 24.7118 8.41026 TIMING: 185600 CPU: 586.224, 0.00312752/step Wall: 586.224, 0.00312753/step, 4.18254 hours remaining, 232.222656 MB of memory in use. ENERGY: 185600 3958.3722 20607.4014 14384.2074 249.0571 -203224.6662 2673.5169 0.0000 0.0000 51635.1050 -109717.0061 296.7477 -161352.1111 -109358.3007 299.0835 17.5778 37.5695 762301.0576 -7.0172 -6.9229 PRESSURE: 185800 127.234 -97.4652 166.208 -97.4653 -42.0773 243.432 166.208 243.431 -191.511 GPRESSURE: 185800 131.618 -87.3416 57.4278 -46.6543 -13.6276 223.579 185.497 233.738 -162.952 PRESSAVG: 185800 41.294 9.67896 25.7449 9.67897 -7.7016 29.9104 25.7448 29.9103 8.06926 GPRESSAVG: 185800 42.3135 7.79113 26.4071 12.1734 -7.43551 29.7448 28.0679 29.6666 7.30761 TIMING: 185800 CPU: 586.852, 0.00313958/step Wall: 586.852, 0.00313958/step, 4.19849 hours remaining, 232.222656 MB of memory in use. ENERGY: 185800 3993.7992 20412.5909 14411.6226 248.4413 -203355.2382 2570.0942 0.0000 0.0000 52054.8808 -109663.8093 299.1601 -161718.6901 -109311.5839 298.4666 -35.4517 -14.9872 760861.8100 13.8872 14.0619 PRESSURE: 186000 419.885 -21.7683 -65.4956 -21.7693 168.614 -48.5442 -65.4961 -48.5444 -65.5136 GPRESSURE: 186000 311.528 -62.5992 -24.256 -123.05 319.067 5.38139 -18.6245 -50.4373 -5.17495 PRESSAVG: 186000 -14.6555 46.9642 -4.46295 46.9642 19.1294 1.26022 -4.46292 1.26022 -15.1164 GPRESSAVG: 186000 -15.5676 47.4153 -3.44366 43.9549 19.6687 1.59069 -5.31863 0.729536 -14.92 TIMING: 186000 CPU: 587.48, 0.00314311/step Wall: 587.48, 0.00314311/step, 4.20304 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: 186000 3985.4699 20361.7069 14469.9430 244.3612 -203108.7588 2567.1018 0.0000 0.0000 51850.9543 -109629.2217 297.9881 -161480.1760 -109275.6090 298.7772 174.3286 208.4734 761058.3418 -3.5475 -3.6063 PRESSURE: 186200 -15.711 133.829 -107.13 133.83 -369.351 80.4954 -107.13 80.4954 -302.17 GPRESSURE: 186200 -66.64 109.316 -90.7428 201.709 -301.875 68.0473 -180.4 89.4743 -238.134 PRESSAVG: 186200 52.3943 18.19 -1.14853 18.19 -58.5912 2.4132 -1.14851 2.4132 27.3658 GPRESSAVG: 186200 53.6312 17.721 -3.24725 19.7601 -58.9399 2.53831 0.607363 4.40862 26.4394 TIMING: 186200 CPU: 588.113, 0.00316172/step Wall: 588.113, 0.00316172/step, 4.22774 hours remaining, 232.222656 MB of memory in use. ENERGY: 186200 4083.6384 20381.9938 14418.7412 229.9984 -203014.2746 2411.9324 0.0000 0.0000 51889.8622 -109598.1081 298.2118 -161487.9704 -109242.7043 298.7315 -229.0772 -202.2163 762228.1850 7.0563 7.0436 PRESSURE: 186400 -381.9 -216.021 -150.735 -216.02 -275.406 -61.9465 -150.735 -61.9469 125.65 GPRESSURE: 186400 -321.945 -168.315 -188.241 -238.866 -238.005 -21.9697 -202.318 -99.0109 116.673 PRESSAVG: 186400 9.1325 12.6041 -23.6123 12.6041 -27.9933 -6.3048 -23.6123 -6.30473 6.47438 GPRESSAVG: 186400 10.1458 13.9072 -21.7985 10.904 -30.6284 -7.38876 -24.9599 -5.20739 7.92459 TIMING: 186400 CPU: 588.741, 0.00314266/step Wall: 588.741, 0.00314266/step, 4.20209 hours remaining, 232.222656 MB of memory in use. ENERGY: 186400 3950.1974 20413.1403 14519.6613 239.8620 -203153.4993 2315.2456 0.0000 0.0000 52040.3239 -109675.0688 299.0765 -161715.3927 -109310.7383 298.8604 -177.2187 -147.7589 762218.1361 -4.1288 -4.1860 PRESSURE: 186600 89.478 71.7425 -79.0983 71.7426 11.4627 193.642 -79.098 193.643 -158.232 GPRESSURE: 186600 7.319 103.221 -73.9048 153.134 85.5339 200.013 -107.346 135.106 -73.1077 PRESSAVG: 186600 2.96538 13.3232 -42.1882 13.3233 12.9498 6.82975 -42.1881 6.82973 -3.48884 GPRESSAVG: 186600 0.877432 13.7775 -41.5119 13.9527 14.4754 6.54448 -42.4386 4.65621 -3.28401 TIMING: 186600 CPU: 589.367, 0.00312616/step Wall: 589.367, 0.00312616/step, 4.17985 hours remaining, 232.222656 MB of memory in use. ENERGY: 186600 3949.7157 20415.8249 14444.3786 270.5819 -203852.2130 2937.4950 0.0000 0.0000 52121.0276 -109713.1893 299.5403 -161834.2170 -109358.4086 298.3135 -19.0971 6.5817 761548.3485 4.1421 4.0229 PRESSURE: 186800 141.237 -140.564 -61.1619 -140.564 439.614 -136.514 -61.1606 -136.515 -406.639 GPRESSURE: 186800 83.5233 -129.563 -89.8218 -11.5077 446.149 -77.7027 35.595 -57.798 -267.301 PRESSAVG: 186800 -14.6354 40.2376 37.7703 40.2376 -11.3368 -34.4939 37.7703 -34.4939 -32.3864 GPRESSAVG: 186800 -15.2859 39.9977 36.2698 40.2086 -10.889 -33.574 40.3647 -33.6143 -31.6576 TIMING: 186800 CPU: 589.993, 0.00313281/step Wall: 589.993, 0.00313281/step, 4.18857 hours remaining, 232.292969 MB of memory in use. ENERGY: 186800 3993.6080 20463.6045 14489.5320 264.3779 -204245.5480 3075.6732 0.0000 0.0000 52129.8331 -109828.9193 299.5909 -161958.7524 -109463.3152 298.4444 58.0708 87.4571 761432.0886 -19.4529 -19.2775 PRESSURE: 187000 -206.44 104.661 -51.5862 104.66 -79.3903 143.849 -51.5874 143.849 269.352 GPRESSURE: 187000 -76.6982 96.3971 -15.7029 227.434 -65.6533 107.67 34.5749 146.264 205.174 PRESSAVG: 187000 2.5723 30.1559 1.40803 30.1559 -30.6479 40.6843 1.40811 40.6842 11.0045 GPRESSAVG: 187000 5.28121 30.6936 1.32879 30.8154 -30.8962 41.6515 0.684134 39.9168 8.45235 TIMING: 187000 CPU: 590.616, 0.00311412/step Wall: 590.616, 0.00311412/step, 4.16341 hours remaining, 232.292969 MB of memory in use. ENERGY: 187000 3933.7738 20495.8464 14496.6863 254.8662 -203571.2638 2672.0558 0.0000 0.0000 51890.2591 -109827.7761 298.2140 -161718.0352 -109462.7030 298.0069 -5.4927 20.9410 762507.9957 -5.6904 -5.7209 PRESSURE: 187200 184.858 -113.431 52.9926 -113.43 65.7037 -173.682 52.9921 -173.682 -302.577 GPRESSURE: 187200 135.658 -4.70366 54.248 -33.2393 164.561 -139.974 -38.758 -204.952 -266.125 PRESSAVG: 187200 -9.37681 70.3215 50.5045 70.3216 40.3945 -22.5251 50.5045 -22.525 -5.67993 GPRESSAVG: 187200 -12.0886 72.3699 50.8814 68.7725 41.9273 -22.0292 48.8124 -24.2586 -4.33646 TIMING: 187200 CPU: 591.239, 0.00311532/step Wall: 591.239, 0.00311532/step, 4.16484 hours remaining, 232.292969 MB of memory in use. ENERGY: 187200 4061.9736 20461.5443 14449.1266 247.7239 -203170.4058 2410.0952 0.0000 0.0000 51952.9510 -109586.9913 298.5743 -161539.9423 -109225.4372 298.4770 -17.3385 11.3650 760927.4405 8.4459 8.5008 PRESSURE: 187400 -7.74484 -11.6652 -149.888 -11.6654 -241.126 -6.83806 -149.888 -6.83818 -409.214 GPRESSURE: 187400 -22.086 -62.0768 -74.045 91.5856 -296.929 -50.1904 -77.0247 -61.7346 -256.496 PRESSAVG: 187400 -16.2431 77.9979 53.6773 77.998 2.28386 -64.3033 53.6772 -64.3033 -14.8561 GPRESSAVG: 187400 -14.8447 74.6072 54.0883 78.6204 0.156783 -65.3073 55.218 -63.7041 -14.3403 TIMING: 187400 CPU: 591.865, 0.00313026/step Wall: 591.865, 0.00313026/step, 4.18463 hours remaining, 232.292969 MB of memory in use. ENERGY: 187400 3975.5121 20548.4581 14382.5480 245.7510 -203369.5755 2463.9631 0.0000 0.0000 51953.3569 -109799.9863 298.5767 -161753.3432 -109440.1514 298.8889 -219.3615 -191.8368 762434.0787 -9.6051 -9.6761 PRESSURE: 187600 148.646 293.591 -122.843 293.592 36.1793 -37.5749 -122.844 -37.5747 185.174 GPRESSURE: 187600 207.045 198.582 -77.7636 241.256 110.347 -27.0217 -233.727 -7.27827 136.524 PRESSAVG: 187600 58.1016 40.552 49.5302 40.552 -42.4045 -39.0039 49.5303 -39.0039 -4.73656 GPRESSAVG: 187600 57.3456 40.2004 49.5811 41.5022 -41.3733 -38.398 49.5695 -39.7542 -5.05887 TIMING: 187600 CPU: 592.492, 0.00313211/step Wall: 592.492, 0.00313211/step, 4.18693 hours remaining, 232.292969 MB of memory in use. ENERGY: 187600 3991.3508 20319.7652 14438.7611 230.6185 -203831.4434 2993.4331 0.0000 0.0000 51995.7105 -109861.8042 298.8201 -161857.5147 -109498.2516 298.4938 123.3332 151.3051 760993.9374 3.6535 3.6378 PRESSURE: 187800 -196.598 -34.519 13.3728 -34.5186 113.981 -194.681 13.373 -194.682 -52.1767 GPRESSURE: 187800 -100.523 -149.761 -75.9331 -17.091 122.943 -150.569 -27.0771 -137.449 -80.9406 PRESSAVG: 187800 56.4277 83.0042 11.9883 83.0042 16.5638 -33.8646 11.9883 -33.8646 30.0042 GPRESSAVG: 187800 57.1403 83.0451 11.9702 83.0229 15.8565 -36.7243 10.8695 -32.1708 29.9757 TIMING: 187800 CPU: 593.119, 0.00313506/step Wall: 593.119, 0.00313506/step, 4.1907 hours remaining, 232.292969 MB of memory in use. ENERGY: 187800 3918.3631 20443.0736 14506.7877 263.6976 -203708.2217 2675.5525 0.0000 0.0000 51752.8467 -110147.9005 297.4243 -161900.7472 -109793.8911 298.2056 -44.9311 -19.5067 760951.7387 34.3319 34.3242 PRESSURE: 188000 -191.544 -51.205 -58.0316 -51.2058 147.585 55.9189 -58.0319 55.9195 129.386 GPRESSURE: 188000 -123.01 -25.6582 -74.1628 -62.5423 84.4598 121.396 28.6102 172.713 192.386 PRESSAVG: 188000 16.5086 86.4632 16.0908 86.4633 28.5554 39.007 16.0908 39.0071 7.46463 GPRESSAVG: 188000 15.5346 87.1452 15.2236 88.1167 28.8725 41.2305 17.5756 38.9668 7.61248 TIMING: 188000 CPU: 593.748, 0.00314592/step Wall: 593.748, 0.00314592/step, 4.20505 hours remaining, 232.292969 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: 188000 3929.2144 20578.0384 14467.9542 261.6359 -204308.6911 2932.3361 0.0000 0.0000 52147.0046 -109992.5075 299.6896 -162139.5121 -109636.4770 298.2362 28.4758 51.2786 759963.5429 17.5095 17.3399 PRESSURE: 188200 -123.048 194.717 -33.3663 194.717 73.8024 -324.153 -33.3664 -324.152 -336.751 GPRESSURE: 188200 -122.308 241.856 -37.4813 135.072 71.3955 -298.64 -28.2267 -356.005 -236.515 PRESSAVG: 188200 23.7507 18.2666 46.3446 18.2666 27.0688 17.7276 46.3446 17.7276 -1.87202 GPRESSAVG: 188200 23.4445 18.8225 46.5875 17.1305 27.2964 17.7796 45.1178 16.4851 -1.61437 TIMING: 188200 CPU: 594.375, 0.00313416/step Wall: 594.375, 0.00313416/step, 4.18915 hours remaining, 232.292969 MB of memory in use. ENERGY: 188200 4008.7022 20612.3377 14439.0135 230.0919 -203485.0540 2693.1460 0.0000 0.0000 51529.3842 -109972.3786 296.1401 -161501.7628 -109615.9739 298.3127 -128.6655 -95.8091 762918.4500 16.3158 16.3755 LDB: ============= START OF LOAD BALANCING ============== 606.905 LDB: ============== END OF LOAD BALANCING =============== 606.905 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 606.907 LDB: ============= START OF LOAD BALANCING ============== 607.221 LDB: Largest compute 7026 load 0.029618 is 15.2% of average load 0.194987 LDB: Average compute 0.004385 is 2.2% of average load 0.194987 LDB: TIME 607.224 LOAD: AVG 0.194987 MAX 0.214486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.305 MB LDB: TIME 607.224 LOAD: AVG 0.194987 MAX 0.214486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.305 MB LDB: TIME 607.224 LOAD: AVG 0.194987 MAX 0.214486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.305 MB LDB: ============== END OF LOAD BALANCING =============== 607.226 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 607.231 PRESSURE: 188400 -83.6185 51.3175 6.63048 51.3165 -232.679 6.63289 6.6307 6.63222 -130.714 GPRESSURE: 188400 -13.0564 17.6336 20.5688 112.503 -212.492 7.10417 -28.5636 -58.7812 -126.177 PRESSAVG: 188400 -73.7658 0.66775 4.25283 0.66782 61.4389 -48.0559 4.25283 -48.056 10.9241 GPRESSAVG: 188400 -73.4251 -0.389159 3.23652 -0.300921 61.4578 -48.9312 3.93842 -46.3694 10.1313 TIMING: 188400 CPU: 595.014, 0.0031992/step Wall: 595.014, 0.0031992/step, 4.27591 hours remaining, 232.046875 MB of memory in use. ENERGY: 188400 4015.1220 20483.3588 14398.8846 242.0841 -203380.7563 2619.6241 0.0000 0.0000 52051.9779 -109569.7048 299.1434 -161621.6827 -109214.7513 298.1691 -149.0037 -117.2417 761167.2374 -0.4676 -0.6120 PRESSURE: 188600 -175.062 -55.8169 111.925 -55.818 -163.167 89.8303 111.925 89.83 21.8919 GPRESSURE: 188600 -54.3506 -205.073 -9.32599 -90.3206 -135.413 70.5524 2.29281 136.685 -24.9168 PRESSAVG: 188600 9.10991 -22.1341 -40.7792 -22.1341 -27.235 -19.0042 -40.7792 -19.0041 -24.9658 GPRESSAVG: 188600 10.6267 -21.8865 -38.6065 -23.1513 -28.879 -18.0392 -40.9754 -21.1785 -24.3873 TIMING: 188600 CPU: 595.646, 0.00315679/step Wall: 595.646, 0.00315679/step, 4.21905 hours remaining, 232.281250 MB of memory in use. ENERGY: 188600 3986.0009 20540.2300 14454.0028 256.8194 -203269.2533 2508.4263 0.0000 0.0000 51996.6718 -109527.1021 298.8256 -161523.7740 -109155.2682 298.6270 -105.4457 -71.5601 762769.6541 -14.3636 -14.2132 PRESSURE: 188800 250.466 104.093 -106.975 104.093 -277.177 -224.033 -106.975 -224.033 53.7964 GPRESSURE: 188800 300.051 111.151 -100.799 25.7832 -199.088 -266.891 15.3752 -97.515 27.5257 PRESSAVG: 188800 71.283 -16.8054 68.5314 -16.8054 -40.7979 -5.39368 68.5315 -5.39367 7.19461 GPRESSAVG: 188800 70.9454 -17.89 66.3581 -15.5197 -40.4906 -5.59782 69.8746 -3.16118 7.29355 TIMING: 188800 CPU: 596.271, 0.0031256/step Wall: 596.271, 0.0031256/step, 4.1772 hours remaining, 232.281250 MB of memory in use. ENERGY: 188800 4004.3603 20495.0882 14493.9795 267.8155 -203324.0590 2572.6430 0.0000 0.0000 52239.3726 -109250.7999 300.2204 -161490.1725 -108882.0351 299.1361 9.0285 42.8295 761548.6947 12.5599 12.5828 PRESSURE: 189000 -284.274 11.7229 289.014 11.7239 -91.3512 182.231 289.013 182.23 333.754 GPRESSURE: 189000 -191.257 36.3708 209.273 137.27 -34.0373 173.931 210.917 125.757 273.84 PRESSAVG: 189000 39.7099 33.6616 49.1178 33.6617 -29.1972 -14.836 49.1178 -14.836 17.1888 GPRESSAVG: 189000 39.3452 35.3865 46.2659 33.7864 -27.3348 -13.9847 50.4333 -17.2931 16.0155 TIMING: 189000 CPU: 596.897, 0.00312897/step Wall: 596.897, 0.00312897/step, 4.18152 hours remaining, 232.281250 MB of memory in use. ENERGY: 189000 4039.4733 20612.6261 14415.4920 244.1991 -203359.7173 2517.2986 0.0000 0.0000 52226.5997 -109304.0286 300.1470 -161530.6282 -108937.7686 299.6083 -13.9570 16.1819 763504.3713 9.2339 9.3420 PRESSURE: 189200 -45.346 -134.788 173.365 -134.788 -275.603 111.247 173.366 111.247 194.091 GPRESSURE: 189200 -62.5596 -127.103 138.909 -20.9804 -120.199 197.624 201.381 40.7113 135.465 PRESSAVG: 189200 -20.1872 17.6954 3.06424 17.6954 42.9373 -11.266 3.06419 -11.2661 -6.53863 GPRESSAVG: 189200 -20.0956 16.5154 7.30143 17.6927 42.6367 -11.1132 -0.0724293 -11.7766 -7.04279 TIMING: 189200 CPU: 597.527, 0.00314925/step Wall: 597.527, 0.00314925/step, 4.20845 hours remaining, 232.281250 MB of memory in use. ENERGY: 189200 4094.7401 20650.6242 14463.6508 236.0704 -203219.3127 2548.9823 0.0000 0.0000 52146.5912 -109078.6538 299.6872 -161225.2450 -108713.8929 299.5713 -42.2860 -15.7644 761679.9300 5.4038 5.1661 PRESSURE: 189400 -99.6049 198.217 92.579 198.217 120.111 -243.975 92.5786 -243.975 357.572 GPRESSURE: 189400 -49.2786 86.8727 37.9066 196.775 154.054 -177.668 65.0355 -296.283 354.232 PRESSAVG: 189400 -69.0729 45.6932 -9.85965 45.6933 3.20181 -63.6005 -9.8597 -63.6005 20.2773 GPRESSAVG: 189400 -69.8376 48.1234 -10.0603 43.486 1.82889 -64.7739 -5.73001 -62.8377 22.3354 TIMING: 189400 CPU: 598.154, 0.00313833/step Wall: 598.154, 0.00313833/step, 4.19368 hours remaining, 232.347656 MB of memory in use. ENERGY: 189400 3949.6861 20668.9370 14418.1944 238.0886 -203369.2193 2711.1775 0.0000 0.0000 52096.7164 -109286.4193 299.4005 -161383.1357 -108924.8625 299.2709 126.0259 153.0024 761802.2923 -15.1979 -15.2244 PRESSURE: 189600 58.2498 -45.3795 29.804 -45.3799 29.2927 -284.961 29.8041 -284.961 -228.673 GPRESSURE: 189600 45.3191 -124.902 -18.1316 -76.8508 81.2184 -311.063 83.8844 -279.729 -187.679 PRESSAVG: 189600 8.4647 31.9568 95.8425 31.9568 37.6116 -14.4604 95.8425 -14.4604 -6.60254 GPRESSAVG: 189600 8.34007 30.462 95.578 32.7246 37.4214 -13.5067 93.7687 -14.7745 -6.34646 TIMING: 189600 CPU: 598.782, 0.00313865/step Wall: 598.782, 0.00313865/step, 4.19393 hours remaining, 232.347656 MB of memory in use. ENERGY: 189600 3976.9636 20581.8874 14470.4591 245.0644 -203259.2193 2658.3991 0.0000 0.0000 52220.4197 -109106.0261 300.1115 -161326.4458 -108742.3043 299.7492 -47.0434 -20.3803 761526.6216 13.1579 13.1383 PRESSURE: 189800 192.902 -273.98 -102.188 -273.98 -60.1611 -249.888 -102.189 -249.888 455.146 GPRESSURE: 189800 219.441 -191.726 -58.5832 -199.802 50.9923 -339.331 -62.1579 -175.035 413.592 PRESSAVG: 189800 -19.3849 10.986 69.2721 10.986 19.618 -36.9984 69.2722 -36.9984 14.5123 GPRESSAVG: 189800 -18.6205 12.9053 67.7077 9.84658 20.4966 -37.3871 69.1751 -37.0535 12.8273 TIMING: 189800 CPU: 599.412, 0.00315054/step Wall: 599.412, 0.00315054/step, 4.20964 hours remaining, 232.347656 MB of memory in use. ENERGY: 189800 3953.1488 20652.0918 14475.1809 263.5890 -202997.0894 2478.1780 0.0000 0.0000 52179.3948 -108995.5061 299.8757 -161174.9009 -108631.1631 300.0949 195.9621 228.0082 760164.9498 4.9151 4.9011 PRESSURE: 190000 -388.374 85.2502 14.8377 85.2501 67.9233 -30.9114 14.8377 -30.9119 0.960724 GPRESSURE: 190000 -335.248 146.697 -38.742 145.407 38.9629 -53.8638 69.6603 95.4872 60.8219 PRESSAVG: 190000 22.7214 1.13588 45.857 1.13588 13.7202 -2.97269 45.857 -2.97268 0.565659 GPRESSAVG: 190000 22.9642 2.35671 47.3366 2.25864 13.009 -3.34515 46.6465 -2.99808 0.693898 TIMING: 190000 CPU: 600.042, 0.00315075/step Wall: 600.042, 0.00315075/step, 4.20975 hours remaining, 232.347656 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: 190000 4107.5426 20583.4682 14526.4461 240.9695 -203175.7591 2315.2705 0.0000 0.0000 52178.4926 -109223.5697 299.8705 -161402.0623 -108861.3111 299.9156 -106.4965 -78.4876 761380.0709 12.3358 12.2223 PRESSURE: 190200 108.204 93.28 -171.976 93.2797 162.95 -251.213 -171.976 -251.214 363.576 GPRESSURE: 190200 168.172 66.3046 -143.586 85.9202 179.583 -280.976 -84.5135 -61.4234 341.595 PRESSAVG: 190200 -3.26601 14.9651 28.3705 14.9651 -34.5664 -14.0474 28.3705 -14.0474 -24.0809 GPRESSAVG: 190200 -4.14212 10.7987 27.3375 15.1463 -34.5616 -14.4025 27.9055 -13.2788 -23.5295 TIMING: 190200 CPU: 600.669, 0.00313165/step Wall: 600.669, 0.00313165/step, 4.18406 hours remaining, 232.347656 MB of memory in use. ENERGY: 190200 4014.3397 20547.7024 14474.9020 247.7237 -203427.2788 2781.3339 0.0000 0.0000 52055.7161 -109305.5610 299.1649 -161361.2771 -108935.5342 299.5220 211.5767 229.7830 760833.8325 -20.6378 -20.7444 PRESSURE: 190400 -666.775 -201.212 44.3828 -201.211 47.957 -155.943 44.3829 -155.943 -248.555 GPRESSURE: 190400 -615.703 -178.135 14.2362 -176.227 42.9272 -29.5943 -10.8755 -237.051 -201.153 PRESSAVG: 190400 -0.382943 5.76554 39.1168 5.76559 49.2768 1.9049 39.1168 1.90492 4.99713 GPRESSAVG: 190400 -0.0202463 5.063 39.6909 6.68419 49.003 1.86625 36.2603 2.75571 4.3071 TIMING: 190400 CPU: 601.297, 0.00314141/step Wall: 601.297, 0.00314141/step, 4.19692 hours remaining, 232.347656 MB of memory in use. ENERGY: 190400 4064.3282 20539.0092 14469.5371 255.9400 -203024.5377 2307.1019 0.0000 0.0000 52038.9011 -109349.7203 299.0683 -161388.6214 -108984.6827 299.5378 -289.1244 -257.9762 762030.1297 17.9637 17.7633 PRESSURE: 190600 3.02555 -114.693 -194.042 -114.693 151.845 329.136 -194.041 329.137 -142.553 GPRESSURE: 190600 14.6815 -121.604 -316.085 -34.4763 167.397 273.718 -64.4451 303.698 -112.31 PRESSAVG: 190600 4.7472 -0.243464 47.0595 -0.243433 -2.91265 -5.34138 47.0595 -5.34142 -13.7049 GPRESSAVG: 190600 4.37735 1.10132 45.4275 -1.1221 -3.9836 -4.99675 51.4555 -5.5379 -12.9237 TIMING: 190600 CPU: 601.928, 0.00315384/step Wall: 601.928, 0.00315384/step, 4.21335 hours remaining, 232.347656 MB of memory in use. ENERGY: 190600 4063.5754 20633.5017 14506.1162 237.6554 -203355.7310 2602.8504 0.0000 0.0000 52030.7899 -109281.2422 299.0217 -161312.0321 -108912.3792 299.4830 4.1058 23.2561 761010.2261 -3.9568 -4.1766 PRESSURE: 190800 -129.733 -32.4151 -60.8539 -32.415 50.1687 -2.04598 -60.8536 -2.04539 -115.269 GPRESSURE: 190800 -156.727 -31.5326 -98.9328 4.41866 135.647 17.0688 -126.436 -26.0881 -78.452 PRESSAVG: 190800 -26.3505 -6.13737 6.53311 -6.13731 4.1484 8.41131 6.53315 8.41132 14.3509 GPRESSAVG: 190800 -28.152 -5.11169 7.24222 -5.12603 6.19354 8.69152 5.00325 7.68622 14.2955 TIMING: 190800 CPU: 602.557, 0.00314732/step Wall: 602.557, 0.00314732/step, 4.20446 hours remaining, 232.347656 MB of memory in use. ENERGY: 190800 4021.2168 20683.2769 14414.1384 253.2040 -203157.2194 2575.1945 0.0000 0.0000 51898.3458 -109311.8431 298.2605 -161210.1889 -108942.1824 299.6515 -64.9442 -33.1773 761454.4217 -2.6171 -2.5543 PRESSURE: 191000 -166.956 150.906 82.4641 150.905 -221.769 -316.758 82.4629 -316.759 3.69245 GPRESSURE: 191000 -93.9057 143.014 74.8066 90.7589 -187.301 -223.66 50.3976 -295.137 -28.8583 PRESSAVG: 191000 -38.0369 -7.72265 17.1648 -7.72265 46.7136 5.44461 17.1648 5.44453 8.55402 GPRESSAVG: 191000 -37.3506 -9.03477 17.4281 -8.71761 46.4369 6.39037 18.6806 4.99731 8.45225 TIMING: 191000 CPU: 603.182, 0.00312703/step Wall: 603.182, 0.00312703/step, 4.17719 hours remaining, 232.347656 MB of memory in use. ENERGY: 191000 4010.0692 20649.3892 14426.0170 237.3752 -203180.6679 2449.9099 0.0000 0.0000 52166.9698 -109240.9377 299.8043 -161407.9075 -108876.5681 299.6539 -128.3442 -103.3551 762774.1442 5.7436 5.8462 PRESSURE: 191200 -283.426 123.481 -73.1013 123.48 -114.243 17.617 -73.1005 17.618 172.353 GPRESSURE: 191200 -243.496 6.07569 -56.7894 160.232 -38.255 41.4159 -103.602 -45.9095 122.857 PRESSAVG: 191200 -42.0361 10.5712 14.1399 10.5712 34.3137 2.65722 14.1399 2.6572 1.10422 GPRESSAVG: 191200 -41.4895 10.6269 13.4508 9.76912 33.4691 1.92195 13.3787 3.0083 0.993337 TIMING: 191200 CPU: 603.809, 0.00313183/step Wall: 603.809, 0.00313183/step, 4.18343 hours remaining, 232.347656 MB of memory in use. ENERGY: 191200 3976.1287 20509.2274 14495.6208 259.7800 -203052.3938 2481.3178 0.0000 0.0000 52139.4401 -109190.8791 299.6461 -161330.3192 -108823.5004 299.5453 -75.1054 -52.9646 762507.4345 -2.2060 -2.3424 PRESSURE: 191400 112.055 75.9908 -114.795 75.9901 117.257 -70.1512 -114.796 -70.1513 -124.211 GPRESSURE: 191400 158.144 68.684 -111.96 177.765 117.034 -150.007 -104.979 6.28032 -84.8607 PRESSAVG: 191400 46.5445 19.6309 -0.337745 19.6309 -40.498 47.0389 -0.337721 47.0389 -1.53056 GPRESSAVG: 191400 46.0336 18.5199 -0.358636 20.8184 -41.4272 46.4424 -1.48262 47.1896 -0.969758 TIMING: 191400 CPU: 604.435, 0.0031332/step Wall: 604.435, 0.0031332/step, 4.18508 hours remaining, 232.347656 MB of memory in use. ENERGY: 191400 3885.9425 20566.8676 14483.9356 239.0481 -203412.6606 2749.3097 0.0000 0.0000 52315.4780 -109172.0791 300.6578 -161487.5571 -108793.8468 299.8290 35.0337 63.4392 761082.4565 1.5053 1.2122 PRESSURE: 191600 -244.873 228.569 62.202 228.569 -289.425 12.6054 62.2011 12.605 -549.26 GPRESSURE: 191600 -275.507 206.201 110.514 175.237 -197.312 113.597 41.6182 57.0877 -508.43 PRESSAVG: 191600 34.2019 27.813 -15.8421 27.8129 9.9666 45.1509 -15.8421 45.1509 -1.7694 GPRESSAVG: 191600 33.0617 30.229 -15.7247 26.0063 10.8843 45.3865 -14.6998 45.7489 -2.01422 TIMING: 191600 CPU: 605.063, 0.00313701/step Wall: 605.063, 0.00313701/step, 4.18999 hours remaining, 232.347656 MB of memory in use. ENERGY: 191600 4090.7084 20561.4451 14446.1840 248.0371 -203193.3324 2481.6495 0.0000 0.0000 52068.1362 -109297.1722 299.2363 -161365.3083 -108938.0074 299.6071 -361.1860 -327.0832 761904.9504 14.1330 13.9772 PRESSURE: 191800 19.9062 217.785 -123.791 217.786 214.132 -37.2978 -123.791 -37.2977 199.448 GPRESSURE: 191800 119.764 255.113 -145.458 194.842 192.337 39.6109 -152.135 -9.24111 214.024 PRESSAVG: 191800 -31.4358 53.0318 -14.4191 53.0318 11.6905 11.8779 -14.419 11.8778 7.30063 GPRESSAVG: 191800 -30.5463 50.7728 -14.4733 54.282 11.8712 12.3982 -15.9668 11.6503 6.34169 TIMING: 191800 CPU: 605.691, 0.00314046/step Wall: 605.691, 0.00314046/step, 4.19443 hours remaining, 232.347656 MB of memory in use. ENERGY: 191800 3994.8209 20423.1711 14454.8706 249.8311 -203171.4177 2683.3865 0.0000 0.0000 52126.3304 -109239.0072 299.5707 -161365.3376 -108861.6466 299.4604 144.4953 175.3750 761912.3734 -4.1482 -4.1111 PRESSURE: 192000 79.9464 61.3488 85.2466 61.3487 -314.134 -65.0761 85.246 -65.0761 -286.663 GPRESSURE: 192000 100.694 43.8534 125.241 92.1547 -208.158 -66.7692 68.0544 -117.404 -326.457 PRESSAVG: 192000 61.8963 -4.05246 -24.8695 -4.05239 -80.6084 -12.2262 -24.8695 -12.2262 39.8049 GPRESSAVG: 192000 61.0213 -3.08244 -23.3026 -3.1243 -80.6208 -12.4909 -23.3962 -12.2273 41.2221 TIMING: 192000 CPU: 606.316, 0.00312315/step Wall: 606.316, 0.00312315/step, 4.17114 hours remaining, 232.347656 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: 192000 3983.5049 20605.4796 14471.7931 244.6653 -203028.4327 2474.1975 0.0000 0.0000 51885.7995 -109362.9929 298.1884 -161248.7924 -109009.0767 299.5994 -173.6167 -144.6403 762299.8958 7.0309 7.2075 PRESSURE: 192200 9.72363 286.91 -92.7846 286.911 199.353 57.7489 -92.7852 57.7484 362.832 GPRESSURE: 192200 166.545 263.197 -58.2986 230.905 113.828 109.584 -18.4915 -93.2664 365.24 PRESSAVG: 192200 56.3632 -13.4459 5.70879 -13.4459 -53.5575 -7.18874 5.7088 -7.18874 8.58539 GPRESSAVG: 192200 57.2837 -11.8844 3.21164 -14.1899 -53.9883 -7.25669 5.30323 -7.22673 7.88273 TIMING: 192200 CPU: 606.939, 0.00311974/step Wall: 606.939, 0.00311974/step, 4.16641 hours remaining, 232.347656 MB of memory in use. ENERGY: 192200 3962.0336 20458.0337 14493.8016 240.2762 -203755.4079 2913.2283 0.0000 0.0000 52143.4594 -109544.5751 299.6692 -161688.0345 -109185.6069 299.6076 190.6363 215.2044 761905.4755 3.7970 3.7261 LDB: ============= START OF LOAD BALANCING ============== 619.471 LDB: ============== END OF LOAD BALANCING =============== 619.471 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 619.473 LDB: ============= START OF LOAD BALANCING ============== 619.787 LDB: Largest compute 7026 load 0.029739 is 15.2% of average load 0.195034 LDB: Average compute 0.004372 is 2.2% of average load 0.195034 LDB: TIME 619.79 LOAD: AVG 0.195034 MAX 0.212724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.02 MB LDB: TIME 619.791 LOAD: AVG 0.195034 MAX 0.212724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.02 MB LDB: TIME 619.791 LOAD: AVG 0.195034 MAX 0.212724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.02 MB LDB: ============== END OF LOAD BALANCING =============== 619.793 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 619.797 PRESSURE: 192400 4.4063 -13.8408 -116.959 -13.8402 -308.963 -249.621 -116.958 -249.622 38.6188 GPRESSURE: 192400 0.978465 -14.9854 -103.413 -80.4281 -226.97 -231.149 -6.73958 -270.167 26.0838 PRESSAVG: 192400 9.40253 -27.7809 -33.3878 -27.7808 -27.7315 -54.0746 -33.3878 -54.0746 16.084 GPRESSAVG: 192400 9.76536 -29.4761 -31.8533 -28.5803 -27.5914 -53.3786 -32.9988 -56.1084 15.6992 TIMING: 192400 CPU: 607.58, 0.00320422/step Wall: 607.58, 0.00320422/step, 4.27905 hours remaining, 233.300781 MB of memory in use. ENERGY: 192400 3966.9775 20344.0421 14489.4743 229.3468 -203238.5878 2420.3421 0.0000 0.0000 52055.0218 -109733.3831 299.1609 -161788.4049 -109374.0085 298.6078 -88.6458 -66.6359 762808.6562 -0.7483 -0.7089 PRESSURE: 192600 68.3399 -36.1381 124.236 -36.1387 27.0723 131.734 124.236 131.734 -152.097 GPRESSURE: 192600 204.433 -13.8343 84.7847 62.6845 24.2162 83.8925 139.048 135.839 -197.501 PRESSAVG: 192600 16.7826 15.6056 27.5479 15.6056 -39.0678 40.5304 27.5479 40.5304 -12.5116 GPRESSAVG: 192600 15.9611 16.1388 26.8116 16.3287 -38.833 39.4395 26.6129 42.6301 -12.2068 TIMING: 192600 CPU: 608.208, 0.00313832/step Wall: 608.208, 0.00313832/step, 4.19088 hours remaining, 233.371094 MB of memory in use. ENERGY: 192600 3959.5044 20474.4776 14365.1482 242.9461 -203660.3896 3103.3359 0.0000 0.0000 51727.7064 -109787.2710 297.2798 -161514.9774 -109418.5844 297.8551 -18.8951 10.3825 763586.5215 -11.5989 -11.6929 PRESSURE: 192800 128.748 46.4199 124.453 46.4201 -24.0284 -271.86 124.453 -271.861 34.9122 GPRESSURE: 192800 124.122 16.4851 73.4519 5.55547 67.1258 -159.218 167.352 -321.503 32.8338 PRESSAVG: 192800 26.7305 0.49919 13.0941 0.499197 -17.5049 58.8022 13.0941 58.8022 -7.28417 GPRESSAVG: 192800 27.9508 -1.06155 13.4469 1.28385 -17.1391 60.5589 12.6892 56.873 -8.6555 TIMING: 192800 CPU: 608.834, 0.00313213/step Wall: 608.834, 0.00313213/step, 4.18243 hours remaining, 233.371094 MB of memory in use. ENERGY: 192800 3970.8645 20541.6849 14420.5473 259.7753 -203560.1355 2710.7876 0.0000 0.0000 51813.7478 -109842.7281 297.7743 -161656.4759 -109485.8463 298.0600 46.5441 74.6939 762351.7856 0.6471 0.7187 PRESSURE: 193000 236.806 8.68701 -113.945 8.68647 -1.81652 44.5582 -113.945 44.5581 -182.603 GPRESSURE: 193000 222.42 -154.721 -87.1744 76.4322 125.77 117.495 -107.332 43.7628 -210.342 PRESSAVG: 193000 18.795 -18.6585 25.9377 -18.6585 2.53934 7.78244 25.9378 7.78239 -15.2452 GPRESSAVG: 193000 17.9989 -18.0875 26.9494 -18.026 1.93458 6.72981 24.7192 9.16062 -14.1439 TIMING: 193000 CPU: 609.466, 0.00315989/step Wall: 609.466, 0.00315989/step, 4.21933 hours remaining, 233.371094 MB of memory in use. ENERGY: 193000 4009.7132 20327.2066 14510.0793 251.8278 -203625.0530 3009.6352 0.0000 0.0000 51672.0183 -109844.5726 296.9598 -161516.5909 -109486.1314 298.0288 17.4625 45.9494 761662.9938 2.0297 1.9299 PRESSURE: 193200 0.987041 -46.9206 177.575 -46.9208 -149.437 -34.8207 177.574 -34.8207 -211.833 GPRESSURE: 193200 -42.5851 -95.6515 117.865 -23.3597 -121.846 16.158 101.108 -3.00551 -108.86 PRESSAVG: 193200 -16.127 -30.6417 -23.8472 -30.6417 25.2983 12.1777 -23.8471 12.1776 -25.6508 GPRESSAVG: 193200 -16.6011 -33.6757 -24.5521 -30.6211 25.4489 12.4843 -23.3838 11.567 -25.7578 TIMING: 193200 CPU: 610.098, 0.00315567/step Wall: 610.098, 0.00315567/step, 4.21352 hours remaining, 233.371094 MB of memory in use. ENERGY: 193200 4056.7177 20385.5580 14437.3833 248.8497 -203484.3053 2501.7249 0.0000 0.0000 52086.9403 -109767.1315 299.3444 -161854.0718 -109409.0279 297.8104 -120.0944 -91.0971 762627.9328 -5.4932 -5.6367 PRESSURE: 193400 14.1988 182.02 156.116 182.021 374.332 -59.3058 156.116 -59.3059 -121.747 GPRESSURE: 193400 52.186 150.376 177.385 121.633 259.236 -78.5394 266.536 -18.8309 39.9948 PRESSAVG: 193400 8.78612 31.4901 -9.54367 31.4901 -19.3121 8.3257 -9.54371 8.32574 -5.72496 GPRESSAVG: 193400 8.08186 33.9128 -9.37112 29.192 -19.822 8.50646 -9.80931 8.34133 -4.70225 TIMING: 193400 CPU: 610.722, 0.00312225/step Wall: 610.722, 0.00312225/step, 4.16872 hours remaining, 233.371094 MB of memory in use. ENERGY: 193400 3999.4392 20426.3135 14379.8732 243.5286 -203731.6180 2605.8443 0.0000 0.0000 52062.4573 -110014.1620 299.2037 -162076.6193 -109653.2566 298.1729 88.9280 117.1390 758561.4297 -5.4170 -5.4808 PRESSURE: 193600 9.34791 -136.043 -128.037 -136.043 73.1159 57.2432 -128.037 57.2438 184.432 GPRESSURE: 193600 171.469 -117.811 -54.5823 -104.341 25.625 58.4121 -106.176 112.312 163.261 PRESSAVG: 193600 33.1825 26.2733 17.8642 26.2732 -22.4223 57.1134 17.8641 57.1134 24.4308 GPRESSAVG: 193600 34.7749 26.6108 18.4554 27.5814 -22.0683 56.0471 19.5638 57.1646 23.1311 TIMING: 193600 CPU: 611.35, 0.00314235/step Wall: 611.35, 0.00314235/step, 4.19538 hours remaining, 233.371094 MB of memory in use. ENERGY: 193600 4029.4032 20483.0023 14422.9619 248.0244 -203495.0166 2636.4811 0.0000 0.0000 51836.0889 -109839.0548 297.9027 -161675.1437 -109473.9130 297.9066 88.9652 120.1182 760544.6480 11.7303 11.9459 PRESSURE: 193800 -62.342 -284.104 116.016 -284.104 -86.0812 40.7861 116.016 40.7859 -73.3002 GPRESSURE: 193800 -55.1198 -268.34 57.7528 -180.16 -22.2748 172.732 105.44 -26.3145 -50.1658 PRESSAVG: 193800 9.65933 -15.2802 -22.5085 -15.2802 -28.5854 -2.24815 -22.5086 -2.24806 24.5314 GPRESSAVG: 193800 8.34488 -18.0204 -23.3777 -11.6277 -27.8669 -1.4558 -23.8796 -2.12905 25.3569 TIMING: 193800 CPU: 611.981, 0.00315062/step Wall: 611.981, 0.00315062/step, 4.20625 hours remaining, 233.371094 MB of memory in use. ENERGY: 193800 4030.8313 20376.7073 14480.4219 266.8217 -203718.1213 2798.0674 0.0000 0.0000 52041.3995 -109723.8722 299.0826 -161765.2717 -109364.8865 298.3727 -73.9078 -42.5201 760614.1696 1.8684 1.9449 PRESSURE: 194000 -41.8374 -27.2285 -18.8497 -27.2274 -387.497 -64.1631 -18.8502 -64.1622 -314.769 GPRESSURE: 194000 4.27523 -42.7146 -18.1444 -34.7661 -331.454 -19.8198 -115.622 -38.4244 -326.909 PRESSAVG: 194000 -4.93972 -15.3685 9.34632 -15.3684 -7.71846 58.9757 9.3463 58.9758 16.2565 GPRESSAVG: 194000 -4.09479 -11.9528 9.17238 -19.9667 -8.95089 58.1481 9.03535 58.3788 16.5358 TIMING: 194000 CPU: 612.609, 0.00314346/step Wall: 612.609, 0.00314346/step, 4.19652 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: 194000 4001.9502 20503.5590 14451.5401 242.4549 -203470.3976 2468.1879 0.0000 0.0000 51944.7460 -109857.9595 298.5272 -161802.7055 -109491.8548 298.8127 -248.0347 -218.0293 761097.4647 1.1994 1.1634 PRESSURE: 194200 495.128 50.9918 1.12104 50.9921 -17.9617 -88.2508 1.12112 -88.2508 414.764 GPRESSURE: 194200 461.108 -37.0716 -22.2023 222.056 20.8407 -23.3718 -41.8706 -111.989 495.65 PRESSAVG: 194200 64.1478 -14.6728 -56.8643 -14.6729 -71.8675 22.3956 -56.8644 22.3957 28.2866 GPRESSAVG: 194200 64.2807 -17.6688 -57.1009 -11.7949 -71.3249 23.3801 -55.4446 22.2905 27.0756 TIMING: 194200 CPU: 613.242, 0.00316246/step Wall: 613.242, 0.00316246/step, 4.22171 hours remaining, 233.371094 MB of memory in use. ENERGY: 194200 3985.3041 20474.2802 14427.1885 248.0887 -203756.2474 2815.6724 0.0000 0.0000 51976.7426 -109828.9708 298.7111 -161805.7134 -109464.7774 298.3466 297.3103 325.8662 759513.6109 6.8556 6.6771 PRESSURE: 194400 106.557 -52.5244 -81.6484 -52.5236 104.197 -21.4318 -81.6481 -21.4308 -91.2251 GPRESSURE: 194400 127.904 -162.495 -154.505 -187.458 162.479 -33.77 -93.1066 76.0465 -100.02 PRESSAVG: 194400 16.2558 -13.9454 -37.7965 -13.9453 -7.2371 46.6393 -37.7965 46.6393 -9.02488 GPRESSAVG: 194400 16.777 -13.3681 -38.4328 -16.5351 -8.52004 45.1177 -37.132 48.5435 -8.21317 TIMING: 194400 CPU: 613.87, 0.00314094/step Wall: 613.87, 0.00314094/step, 4.1928 hours remaining, 233.371094 MB of memory in use. ENERGY: 194400 4042.3048 20595.6275 14498.9483 254.7361 -203740.1797 2744.2833 0.0000 0.0000 51854.1927 -109750.0871 298.0068 -161604.2798 -109403.9226 298.5166 39.8429 63.4542 760616.4090 -0.0021 0.0146 PRESSURE: 194600 -95.6626 -120.582 204.307 -120.581 31.2453 -123.709 204.307 -123.709 -793.205 GPRESSURE: 194600 -44.1647 -112.066 175.333 -115.261 61.6353 -96.0536 43.4838 -231.228 -793.031 PRESSAVG: 194600 49.0336 7.97828 -38.4344 7.97825 -46.5845 -5.87931 -38.4343 -5.87926 -1.41185 GPRESSAVG: 194600 47.8935 9.93982 -38.2535 6.1312 -45.0944 -5.24257 -38.9382 -5.95642 -1.2466 TIMING: 194600 CPU: 614.495, 0.00312505/step Wall: 614.495, 0.00312505/step, 4.17142 hours remaining, 233.371094 MB of memory in use. ENERGY: 194600 4042.6965 20564.4205 14411.8988 257.0287 -203456.6808 2525.9227 0.0000 0.0000 51977.2530 -109677.4606 298.7140 -161654.7136 -109307.3379 298.5005 -285.8741 -258.5202 759883.2039 0.3457 0.5175 PRESSURE: 194800 -29.0301 -85.0025 112.774 -85.0014 -68.902 364.404 112.774 364.404 128.14 GPRESSURE: 194800 5.47312 34.5536 -34.628 -104.884 -42.8275 368.049 28.6632 282.278 148.43 PRESSAVG: 194800 59.1166 -45.5177 -16.056 -45.5176 -55.0983 25.8744 -16.0561 25.8745 -1.70805 GPRESSAVG: 194800 60.9513 -45.4088 -14.5971 -43.0309 -56.4435 24.4362 -17.6088 26.108 -2.65667 TIMING: 194800 CPU: 615.12, 0.00312751/step Wall: 615.12, 0.00312751/step, 4.17454 hours remaining, 233.371094 MB of memory in use. ENERGY: 194800 3958.3620 20470.9169 14493.8284 263.7284 -203583.1009 2648.7165 0.0000 0.0000 52030.4021 -109717.1466 299.0194 -161747.5487 -109364.9912 298.7223 10.0693 37.0252 759673.0193 0.7701 0.6170 PRESSURE: 195000 82.3667 -127.928 101.213 -127.928 222.993 -118.9 101.213 -118.9 23.305 GPRESSURE: 195000 79.686 -25.8817 27.5477 -106.697 254.217 -109.736 129.282 -95.7826 62.5015 PRESSAVG: 195000 70.5685 -31.5211 -57.7954 -31.5211 7.56381 -34.6215 -57.7954 -34.6215 14.7867 GPRESSAVG: 195000 70.4383 -30.8829 -57.8748 -32.2969 8.91561 -32.8504 -56.8398 -33.6507 14.4179 TIMING: 195000 CPU: 615.745, 0.00312166/step Wall: 615.745, 0.00312166/step, 4.16654 hours remaining, 233.371094 MB of memory in use. ENERGY: 195000 3964.3791 20476.8978 14475.6260 245.2072 -203899.9588 3054.2431 0.0000 0.0000 51874.7690 -109808.8367 298.1250 -161683.6057 -109432.7945 298.7527 109.5548 132.1348 761117.4650 30.9730 31.2572 PRESSURE: 195200 3.80862 -123.406 220.951 -123.406 187.153 79.6665 220.952 79.6668 85.6717 GPRESSURE: 195200 -24.5635 -133.643 174.956 -145.176 197.363 11.9587 215.866 -1.20503 185.473 PRESSAVG: 195200 -10.4585 -10.5669 -86.4582 -10.5669 21.1207 -14.857 -86.4581 -14.857 -19.4648 GPRESSAVG: 195200 -11.3585 -10.8664 -87.4466 -10.0229 21.2216 -15.2295 -84.6548 -17.2913 -18.5226 TIMING: 195200 CPU: 616.371, 0.00313143/step Wall: 616.371, 0.00313143/step, 4.17942 hours remaining, 233.371094 MB of memory in use. ENERGY: 195200 3969.1635 20523.0151 14429.6066 244.2994 -203177.3125 2524.7428 0.0000 0.0000 51708.8879 -109777.5971 297.1717 -161486.4850 -109418.9410 298.1147 92.2110 119.4239 762334.0518 -2.9342 -2.8865 PRESSURE: 195400 -204.765 27.4203 -440.805 27.4204 -341.594 12.5989 -440.806 12.6001 -20.4929 GPRESSURE: 195400 -122.223 4.62238 -412.866 21.2146 -313.005 67.4266 -200.072 123.18 -59.1684 PRESSAVG: 195400 -18.3618 3.42848 -51.9504 3.42847 3.13809 -26.1767 -51.9503 -26.1768 6.21547 GPRESSAVG: 195400 -17.22 3.53498 -52.0902 2.36913 3.21603 -26.6177 -53.7244 -23.8715 4.68631 TIMING: 195400 CPU: 617.002, 0.00315421/step Wall: 617.002, 0.00315421/step, 4.20964 hours remaining, 233.371094 MB of memory in use. ENERGY: 195400 4094.9684 20645.4577 14446.1631 246.4986 -203654.3775 2626.2449 0.0000 0.0000 52067.6861 -109527.3587 299.2337 -161595.0448 -109180.4676 299.3580 -188.9507 -164.7987 762781.3624 -3.0027 -3.1059 PRESSURE: 195600 -291.569 -30.3471 -59.9845 -30.3474 -49.7465 53.1595 -59.9844 53.1588 -172.724 GPRESSURE: 195600 -262.133 -82.6312 -3.12285 -83.3158 33.2923 58.7549 -146.053 41.8629 -199.896 PRESSAVG: 195600 9.34212 -7.42413 -3.44724 -7.42418 16.2034 18.078 -3.44723 18.078 4.40141 GPRESSAVG: 195600 9.47864 -8.91965 -3.12617 -6.26472 16.1283 19.3213 -4.02922 14.3936 4.68134 TIMING: 195600 CPU: 617.632, 0.00314987/step Wall: 617.632, 0.00314987/step, 4.20368 hours remaining, 233.371094 MB of memory in use. ENERGY: 195600 3977.5532 20501.5816 14429.5389 255.2750 -203181.8525 2441.2605 0.0000 0.0000 52090.6737 -109485.9695 299.3658 -161576.6432 -109124.6880 299.3954 -171.3468 -142.9123 762598.8010 9.9823 10.0961 PRESSURE: 195800 -241.101 -29.1288 -37.014 -29.1294 -336.009 75.6276 -37.0147 75.6258 -253.349 GPRESSURE: 195800 -216.565 -89.2679 14.061 -20.1285 -258.147 -14.2149 -100.026 141.618 -276.203 PRESSAVG: 195800 -10.9117 -32.7132 6.02387 -32.7132 -15.6142 -18.9608 6.02385 -18.9609 -8.68115 GPRESSAVG: 195800 -11.5126 -32.3922 6.44542 -33.5985 -15.3939 -20.7106 5.81982 -17.194 -8.41725 TIMING: 195800 CPU: 618.258, 0.0031327/step Wall: 618.258, 0.0031327/step, 4.18059 hours remaining, 233.371094 MB of memory in use. ENERGY: 195800 3950.7953 20516.5324 14472.2519 236.9705 -203778.3067 2751.7779 0.0000 0.0000 52343.1484 -109506.8304 300.8168 -161849.9788 -109142.7208 299.2868 -276.8198 -250.3050 763195.3523 -11.7357 -11.7746 PRESSURE: 196000 108.865 -55.4632 135.082 -55.4622 -351.611 -67.5263 135.082 -67.5253 26.9077 GPRESSURE: 196000 108.616 -149.101 96.0851 -74.0931 -267.602 -64.5845 147.822 -39.5602 25.7212 PRESSAVG: 196000 39.9695 -24.2678 5.91293 -24.2678 -38.336 11.8686 5.91287 11.8686 -16.6623 GPRESSAVG: 196000 39.5813 -22.8643 5.50104 -22.7135 -38.9634 14.2153 6.51059 11.7581 -16.3561 TIMING: 196000 CPU: 618.887, 0.00314519/step Wall: 618.887, 0.00314519/step, 4.19709 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: 196000 3998.4671 20587.4985 14453.7476 242.5713 -203680.8057 2864.0409 0.0000 0.0000 52177.5577 -109356.9227 299.8651 -161534.4804 -108991.8868 299.4803 -71.9460 -44.4215 763834.7978 -5.0096 -5.2461 PRESSURE: 196200 -328.889 -43.8973 -171.471 -43.8977 -323.518 -263.425 -171.472 -263.424 -272.409 GPRESSURE: 196200 -361.452 -12.7344 -155.144 -58.4915 -305.45 -339.289 -206.075 -173.603 -188.503 PRESSAVG: 196200 50.5789 -45.4687 -57.876 -45.4687 -40.9385 -26.4085 -57.8761 -26.4084 -12.0963 GPRESSAVG: 196200 50.3687 -47.7032 -57.5472 -45.2085 -39.754 -28.9254 -57.3508 -26.3796 -12.368 TIMING: 196200 CPU: 619.519, 0.00315668/step Wall: 619.519, 0.00315668/step, 4.21224 hours remaining, 233.371094 MB of memory in use. ENERGY: 196200 4018.6694 20539.6613 14486.9087 241.3538 -203184.6989 2589.7925 0.0000 0.0000 52279.6263 -109028.6869 300.4517 -161308.3131 -108663.5685 299.9659 -308.2722 -285.1350 763229.9203 -0.8186 -0.5844 LDB: ============= START OF LOAD BALANCING ============== 632.051 LDB: ============== END OF LOAD BALANCING =============== 632.051 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 632.052 LDB: ============= START OF LOAD BALANCING ============== 632.365 LDB: Largest compute 7026 load 0.031060 is 15.9% of average load 0.194981 LDB: Average compute 0.004380 is 2.2% of average load 0.194981 LDB: TIME 632.368 LOAD: AVG 0.194981 MAX 0.213446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.914 MB LDB: TIME 632.369 LOAD: AVG 0.194981 MAX 0.213446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: TIME 632.369 LOAD: AVG 0.194981 MAX 0.213446 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: ============== END OF LOAD BALANCING =============== 632.371 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 632.376 PRESSURE: 196400 -203.417 63.9898 -104.039 63.9897 -176.387 -47.3981 -104.039 -47.398 -4.62249 GPRESSURE: 196400 -145.103 9.70985 -46.2794 117.21 -119.395 -1.74083 -98.7711 24.006 -21.9859 PRESSAVG: 196400 67.723 -65.2634 -8.19936 -65.2633 -45.1547 -36.3347 -8.19936 -36.3347 16.27 GPRESSAVG: 196400 68.2907 -64.7253 -8.07176 -64.0147 -44.8066 -35.7933 -8.07336 -35.4923 15.4752 TIMING: 196400 CPU: 620.159, 0.00319913/step Wall: 620.159, 0.00319913/step, 4.2687 hours remaining, 230.589844 MB of memory in use. ENERGY: 196400 4057.7680 20552.9931 14448.0463 256.3743 -203314.9091 2767.8432 0.0000 0.0000 52032.6871 -109199.1972 299.0326 -161231.8842 -108835.6258 299.8244 -128.1422 -95.4945 762822.7721 12.9461 12.9864 PRESSURE: 196600 137.614 167.057 -86.1063 167.057 -160.288 230.66 -86.1064 230.659 66.1199 GPRESSURE: 196600 149.121 216.048 -69.2783 136.628 -78.6601 207.393 13.4301 103.196 60.2037 PRESSAVG: 196600 41.0695 -42.0938 -4.98102 -42.0938 -27.9625 -18.0246 -4.98097 -18.0247 -20.6256 GPRESSAVG: 196600 40.8856 -42.012 -5.97751 -45.0859 -29.697 -18.2357 -5.09606 -17.9197 -18.8418 TIMING: 196600 CPU: 620.788, 0.00314887/step Wall: 620.788, 0.00314888/step, 4.20147 hours remaining, 230.667969 MB of memory in use. ENERGY: 196600 4036.1297 20540.5192 14402.0177 226.4181 -203317.5272 2816.8674 0.0000 0.0000 52150.6528 -109144.9224 299.7105 -161295.5752 -108787.0427 299.6453 14.4822 43.5547 763088.8572 -2.5062 -2.5511 PRESSURE: 196800 -374.584 95.2552 -80.7342 95.2554 -122.512 125.029 -80.7337 125.029 -106.078 GPRESSURE: 196800 -423.407 -48.8639 -80.0087 186.02 -41.913 225.08 -107.374 -25.0944 -72.6019 PRESSAVG: 196800 24.8398 -10.5998 11.1266 -10.5998 -24.5727 -47.8007 11.1266 -47.8007 -8.72978 GPRESSAVG: 196800 24.5894 -12.4008 13.2253 -9.07354 -23.485 -47.6592 11.1532 -49.8739 -9.37025 TIMING: 196800 CPU: 621.416, 0.00313883/step Wall: 621.416, 0.00313883/step, 4.18789 hours remaining, 230.871094 MB of memory in use. ENERGY: 196800 4006.5321 20662.9504 14495.5915 245.3982 -203128.9554 2487.5258 0.0000 0.0000 52021.0486 -109209.9088 298.9657 -161230.9574 -108851.5554 299.7367 -201.0580 -179.3072 764359.0342 -2.8209 -2.7553 PRESSURE: 197000 -183.528 -149.015 -89.6815 -149.015 -148.598 -18.805 -89.682 -18.805 83.3011 GPRESSURE: 197000 -126.968 -53.8402 -134.704 -129.669 -92.5501 -15.9876 -54.8913 1.42577 51.7056 PRESSAVG: 197000 -33.264 -31.1933 -9.25388 -31.1932 28.2025 8.08271 -9.25379 8.08273 -12.5994 GPRESSAVG: 197000 -32.6744 -30.3427 -11.1997 -31.3444 28.1503 10.2477 -8.65553 8.44699 -12.8247 TIMING: 197000 CPU: 622.043, 0.00313558/step Wall: 622.043, 0.00313558/step, 4.18339 hours remaining, 230.871094 MB of memory in use. ENERGY: 197000 4110.3169 20594.7823 14506.3257 249.3553 -203087.8656 2299.1882 0.0000 0.0000 52229.4771 -109098.4200 300.1635 -161327.8972 -108734.5447 299.6465 -82.9418 -55.9374 762929.4637 -5.8870 -5.7829 PRESSURE: 197200 207.03 14.4866 69.0749 14.4862 -50.2874 -192.577 69.0753 -192.577 54.6964 GPRESSURE: 197200 182.117 5.79184 -32.4544 -54.9918 -3.31888 -183.642 108.606 -79.3177 100.388 PRESSAVG: 197200 5.64252 9.74458 -11.9363 9.74462 21.2476 -16.2329 -11.9363 -16.2329 31.9493 GPRESSAVG: 197200 4.82534 9.96502 -12.425 9.28135 22.226 -18.3757 -11.9518 -14.9869 31.2841 TIMING: 197200 CPU: 622.671, 0.00313672/step Wall: 622.671, 0.00313672/step, 4.18474 hours remaining, 230.871094 MB of memory in use. ENERGY: 197200 4056.8639 20705.4449 14482.6862 255.6385 -203307.0156 2789.6507 0.0000 0.0000 51992.7731 -109023.9583 298.8032 -161016.7314 -108667.2411 299.9111 70.4798 93.0619 763434.8723 19.6131 19.4451 PRESSURE: 197400 -129.35 -84.4235 -159.857 -84.4237 -118.927 98.7688 -159.857 98.7679 141.164 GPRESSURE: 197400 -110.942 -48.2317 -76.7349 -19.0427 -89.4462 142.726 -258.064 6.06721 181.442 PRESSAVG: 197400 7.45961 38.8998 13.5158 38.8998 -38.9358 18.5312 13.5158 18.5312 2.99326 GPRESSAVG: 197400 8.4211 39.6845 15.314 38.5215 -40.0753 18.2143 11.8253 18.1928 4.14624 TIMING: 197400 CPU: 623.3, 0.0031451/step Wall: 623.3, 0.0031451/step, 4.19574 hours remaining, 230.871094 MB of memory in use. ENERGY: 197400 4006.8671 20573.2009 14489.1919 254.0239 -203154.8688 2613.9025 0.0000 0.0000 52058.5796 -109159.1028 299.1814 -161217.6824 -108796.4219 299.6527 -35.7046 -6.3152 762784.9550 -9.4943 -9.1693 PRESSURE: 197600 74.321 -115.233 -140.689 -115.234 -156.886 -202.172 -140.689 -202.172 1.80609 GPRESSURE: 197600 72.9513 -133.773 -175.553 -105.133 -51.8306 -138.23 49.3533 -147.575 1.39618 PRESSAVG: 197600 4.51855 -13.2777 18.5088 -13.2777 -27.7991 -18.5985 18.5088 -18.5984 9.37436 GPRESSAVG: 197600 4.06759 -12.6754 17.3942 -11.78 -26.0025 -18.1129 19.0638 -19.4211 8.57204 TIMING: 197600 CPU: 623.929, 0.00314501/step Wall: 623.929, 0.00314501/step, 4.19545 hours remaining, 231.074219 MB of memory in use. ENERGY: 197600 4061.4718 20565.7461 14487.0624 271.6662 -203318.8379 2840.8870 0.0000 0.0000 52032.4431 -109059.5614 299.0312 -161092.0045 -108701.1463 299.1139 -26.9197 7.5056 761854.6836 -4.6354 -4.4543 PRESSURE: 197800 -208.682 289.065 -67.1229 289.064 -23.8797 130.539 -67.1227 130.54 -412.808 GPRESSURE: 197800 -182.972 130.612 -80.679 294.271 59.0405 113.123 -32.2897 109.289 -436.969 PRESSAVG: 197800 -37.862 -66.856 4.75764 -66.8561 13.5496 23.9463 4.75767 23.9463 -7.92415 GPRESSAVG: 197800 -38.2253 -67.3979 4.25895 -67.1366 13.8328 23.7353 6.09162 24.8185 -7.89128 TIMING: 197800 CPU: 624.559, 0.00315306/step Wall: 624.559, 0.00315306/step, 4.206 hours remaining, 231.074219 MB of memory in use. ENERGY: 197800 4056.6926 20563.9163 14517.6758 268.4213 -203183.2969 2783.1793 0.0000 0.0000 52031.5476 -108961.8640 299.0260 -160993.4116 -108611.2728 299.8504 -215.1234 -186.9667 764248.9413 -10.7455 -10.7613 PRESSURE: 198000 -218.535 -114.453 99.2727 -114.453 -310.691 2.59926 99.2734 2.59966 -83.0408 GPRESSURE: 198000 -104.431 -65.5446 112.355 -152.67 -318.456 -67.1416 -24.4424 -50.1693 -107.52 PRESSAVG: 198000 23.9048 -4.63955 20.7643 -4.63956 -4.4325 20.0388 20.7643 20.0387 7.56581 GPRESSAVG: 198000 24.1622 -6.30497 22.2015 -5.34518 -5.10974 18.6292 18.928 19.8688 8.43644 TIMING: 198000 CPU: 625.187, 0.00313629/step Wall: 625.187, 0.00313629/step, 4.18346 hours remaining, 231.074219 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: 198000 4010.2150 20549.8442 14515.2995 258.3634 -202713.4891 2403.9973 0.0000 0.0000 51982.9295 -108992.8400 298.7466 -160975.7696 -108630.0762 299.3357 -204.0892 -176.8021 763324.8001 9.0127 9.1630 PRESSURE: 198200 169.849 -27.7996 60.882 -27.8 101.009 -103.845 60.8826 -103.845 -71.7812 GPRESSURE: 198200 202.123 37.3562 46.3258 -12.7007 247.281 -47.6352 54.018 -192.083 -160.774 PRESSAVG: 198200 -2.98281 -29.5725 45.9521 -29.5725 20.5948 1.62128 45.9521 1.62124 5.4485 GPRESSAVG: 198200 -2.60937 -27.0365 46.0905 -28.2751 20.6732 2.6286 46.8096 -0.288174 5.12757 TIMING: 198200 CPU: 625.814, 0.00313959/step Wall: 625.814, 0.00313959/step, 4.18769 hours remaining, 231.074219 MB of memory in use. ENERGY: 198200 4019.1934 20602.9962 14514.5759 250.8447 -203027.5290 2622.7089 0.0000 0.0000 52008.0103 -109009.1996 298.8908 -161017.2100 -108648.8021 299.9049 66.3587 96.2097 762613.9437 7.6868 7.7305 PRESSURE: 198400 -291.932 53.4219 285.922 53.4214 -212.692 -156.806 285.922 -156.806 -126.947 GPRESSURE: 198400 -195.075 94.7526 233.257 31.4471 -264.674 -163.794 195.43 38.002 -95.0449 PRESSAVG: 198400 -10.7448 -8.44876 39.3787 -8.4488 -4.52197 -6.3747 39.3787 -6.37464 -0.150757 GPRESSAVG: 198400 -11.0033 -11.2241 37.5487 -8.41405 -3.64352 -6.07876 39.5002 -4.37357 -1.37619 TIMING: 198400 CPU: 626.443, 0.00314287/step Wall: 626.443, 0.00314287/step, 4.19189 hours remaining, 231.074219 MB of memory in use. ENERGY: 198400 3962.3378 20451.7801 14439.8680 240.5666 -203088.3127 2701.0333 0.0000 0.0000 52044.9838 -109247.7431 299.1032 -161292.7269 -108887.3900 299.2199 -210.5238 -184.9313 762871.1488 -5.1392 -5.3410 PRESSURE: 198600 123.278 -326.857 -72.9263 -326.857 -215.604 57.1612 -72.9265 57.1617 216.544 GPRESSURE: 198600 210.151 -299.247 -124.626 -412.259 -211.586 -91.2643 -19.5726 93.8008 210.883 PRESSAVG: 198600 41.1803 -50.932 -2.2416 -50.932 -44.6706 31.7384 -2.24164 31.7384 2.25356 GPRESSAVG: 198600 42.1272 -48.6388 -1.20987 -52.1344 -47.3251 31.7409 -2.20266 29.133 4.0894 TIMING: 198600 CPU: 627.076, 0.00316492/step Wall: 627.076, 0.00316492/step, 4.22113 hours remaining, 231.062500 MB of memory in use. ENERGY: 198600 4073.7801 20523.7478 14442.1835 242.0366 -203255.8456 2689.9090 0.0000 0.0000 52246.2562 -109037.9325 300.2600 -161284.1887 -108683.3378 299.6005 41.4059 69.8159 763305.9303 -0.4123 -0.3695 PRESSURE: 198800 172.015 -28.8881 -74.3337 -28.8875 -27.8818 -122.737 -74.3328 -122.738 211.399 GPRESSURE: 198800 175.816 19.2967 -35.1752 71.714 102.206 -114.46 -110.21 -38.8527 142.199 PRESSAVG: 198800 -18.9075 12.8626 -11.9816 12.8626 22.8338 5.38014 -11.9816 5.38018 -7.83199 GPRESSAVG: 198800 -18.9317 12.1537 -11.5288 13.3009 22.9556 7.35935 -12.1367 7.73145 -7.68356 TIMING: 198800 CPU: 627.708, 0.00315833/step Wall: 627.708, 0.00315833/step, 4.21216 hours remaining, 231.074219 MB of memory in use. ENERGY: 198800 3983.1998 20511.5268 14479.9623 249.1166 -203217.7774 2911.9104 0.0000 0.0000 52013.9231 -109068.1384 298.9247 -161082.0616 -108702.9645 300.1604 118.5108 140.0740 763948.4790 -1.3019 -1.2199 PRESSURE: 199000 -375.922 0.896659 156.039 0.89669 -301.268 -82.7117 156.039 -82.7114 -75.8074 GPRESSURE: 199000 -381.819 183.127 182.405 153.577 -269.929 -79.4607 115.312 -24.7851 -27.0166 PRESSAVG: 199000 -14.1317 1.73003 -30.8815 1.73002 -29.436 21.3958 -30.8814 21.3958 3.62177 GPRESSAVG: 199000 -14.5109 4.38264 -31.2077 2.27059 -28.8354 19.3166 -29.1979 20.7541 3.34128 TIMING: 199000 CPU: 628.337, 0.00314491/step Wall: 628.337, 0.00314491/step, 4.19409 hours remaining, 231.074219 MB of memory in use. ENERGY: 199000 3937.6135 20436.9200 14434.0447 269.9289 -202823.1985 2265.6020 0.0000 0.0000 52298.9801 -109180.1093 300.5630 -161479.0894 -108812.4994 299.3636 -250.9992 -226.2548 762521.2286 -13.3153 -13.3350 PRESSURE: 199200 -201.568 8.09536 -106.691 8.09509 -180.289 68.8653 -106.692 68.8657 -293.086 GPRESSURE: 199200 -149.027 26.2174 -89.0569 55.4035 -188.265 103.216 -131.532 121.469 -246.637 PRESSAVG: 199200 -38.3689 4.80367 5.5918 4.8036 19.5237 -20.4917 5.5918 -20.4917 -2.48979 GPRESSAVG: 199200 -38.3031 3.26249 5.48418 5.9377 20.1065 -21.1677 5.11643 -19.7367 -2.97599 TIMING: 199200 CPU: 628.966, 0.00314547/step Wall: 628.966, 0.00314547/step, 4.19466 hours remaining, 231.074219 MB of memory in use. ENERGY: 199200 4002.8541 20432.1400 14472.8595 242.7218 -202795.3642 2409.0939 0.0000 0.0000 52085.2613 -109150.4336 299.3347 -161235.6949 -108792.6593 299.7814 -224.9807 -194.6432 763145.5765 -7.1117 -7.0575 PRESSURE: 199400 530.065 -6.12531 -143.959 -6.12531 104.709 240.934 -143.959 240.936 -368.306 GPRESSURE: 199400 598.701 5.05371 -104.011 55.9113 134.969 236.948 -42.551 132.585 -379.583 PRESSAVG: 199400 62.155 14.2291 5.39239 14.2292 -11.9826 -2.77335 5.3924 -2.77331 -2.11192 GPRESSAVG: 199400 61.9255 14.9655 4.07166 12.9545 -13.2551 -0.960639 6.00073 -3.60958 -0.90356 TIMING: 199400 CPU: 629.593, 0.00313769/step Wall: 629.593, 0.00313769/step, 4.18411 hours remaining, 231.074219 MB of memory in use. ENERGY: 199400 3937.0549 20474.6687 14470.8962 253.7294 -203278.8579 2855.0459 0.0000 0.0000 52136.3667 -109151.0961 299.6284 -161287.4627 -108784.4620 300.0048 88.8228 118.0287 763804.5823 16.0202 15.9223 PRESSURE: 199600 100.113 298.102 -122.057 298.102 -73.541 -128.484 -122.058 -128.485 -331.186 GPRESSURE: 199600 71.7105 238.871 -164.394 184.824 -24.631 -205.293 -194.773 -57.061 -259.894 PRESSAVG: 199600 40.8033 29.6233 -0.0803026 29.6234 -43.0137 17.46 -0.0803033 17.4601 -0.920862 GPRESSAVG: 199600 40.1229 29.6821 0.536866 28.9617 -41.4635 15.7582 -1.46463 16.3143 -2.00857 TIMING: 199600 CPU: 630.221, 0.00314084/step Wall: 630.221, 0.00314084/step, 4.18813 hours remaining, 231.074219 MB of memory in use. ENERGY: 199600 3892.5826 20447.4261 14456.1862 238.7416 -202732.6072 2644.9642 0.0000 0.0000 52031.2242 -109021.4823 299.0242 -161052.7065 -108663.8821 299.3197 -101.5382 -70.9381 764511.5154 -1.0438 -1.1164 PRESSURE: 199800 9.50311 -49.7885 -104.415 -49.7884 -183.931 -45.1179 -104.414 -45.1181 -370.315 GPRESSURE: 199800 -49.7238 -172.227 -111.999 -107.621 -103.021 -39.6755 -101.197 7.51495 -319.268 PRESSAVG: 199800 30.3877 18.3698 -36.9361 18.3698 -41.3378 21.6899 -36.9361 21.6899 28.4429 GPRESSAVG: 199800 29.9837 17.5486 -37.0729 18.0701 -42.0231 23.5102 -37.8753 23.6006 28.763 TIMING: 199800 CPU: 630.851, 0.00314543/step Wall: 630.851, 0.00314543/step, 4.19408 hours remaining, 231.074219 MB of memory in use. ENERGY: 199800 3992.7638 20504.1026 14413.1909 255.8278 -203156.4786 2595.7667 0.0000 0.0000 52445.4916 -108949.3352 301.4050 -161394.8268 -108586.4733 300.0810 -181.5806 -157.3377 763423.8453 5.8309 5.5745 PRESSURE: 200000 -16.7423 -222.516 100.683 -222.515 117.665 -148.981 100.683 -148.979 -125.143 GPRESSURE: 200000 20.5508 -218.821 118.273 -115.274 127.402 -147.294 33.363 -102.89 -72.5131 PRESSAVG: 200000 16.258 -13.0176 1.1504 -13.0175 -30.9792 -18.6834 1.15041 -18.6833 19.5493 GPRESSAVG: 200000 15.137 -14.0278 0.445954 -10.2614 -29.4835 -18.3769 2.94302 -20.1998 19.165 TIMING: 200000 CPU: 631.48, 0.00314574/step Wall: 631.48, 0.00314574/step, 4.19432 hours remaining, 231.074219 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: 200000 4046.2496 20381.9306 14423.0165 220.8376 -202633.1011 2538.8361 0.0000 0.0000 52063.1134 -108959.1173 299.2074 -161022.2307 -108596.0713 300.1329 -8.0731 25.1467 763246.8983 1.6094 1.6062 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.112 seconds, 231.074 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=200000) takes 0.023 seconds, 231.078 MB of memory in use PRESSURE: 200200 189.972 -204.739 88.3077 -204.738 240.874 -195.997 88.3078 -195.997 -36.8554 GPRESSURE: 200200 257.222 -156.499 56.2699 -189.955 173.293 -156.795 157.69 -144.352 36.2277 PRESSAVG: 200200 45.9767 -31.0916 77.0057 -31.0916 -11.7644 -33.4858 77.0056 -33.4859 0.405688 GPRESSAVG: 200200 48.703 -30.973 77.1119 -30.3351 -14.3587 -33.7972 77.08 -30.8959 0.0754561 TIMING: 200200 CPU: 632.277, 0.00398756/step Wall: 632.277, 0.00398756/step, 5.31652 hours remaining, 231.066406 MB of memory in use. ENERGY: 200200 4031.8519 20432.9376 14435.1439 264.4982 -203246.7831 2710.6748 0.0000 0.0000 52330.3447 -109041.3320 300.7432 -161371.6767 -108671.1228 299.6684 131.3302 155.5810 760635.6067 11.5393 11.4732 LDB: ============= START OF LOAD BALANCING ============== 644.808 LDB: ============== END OF LOAD BALANCING =============== 644.809 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 644.81 LDB: ============= START OF LOAD BALANCING ============== 645.125 LDB: Largest compute 7060 load 0.031029 is 15.9% of average load 0.194976 LDB: Average compute 0.004389 is 2.3% of average load 0.194976 LDB: TIME 645.129 LOAD: AVG 0.194976 MAX 0.212853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.609 MB LDB: TIME 645.129 LOAD: AVG 0.194976 MAX 0.212853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.609 MB LDB: TIME 645.129 LOAD: AVG 0.194976 MAX 0.212853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.609 MB LDB: ============== END OF LOAD BALANCING =============== 645.131 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 645.136 PRESSURE: 200400 335.797 -47.9649 40.1782 -47.9645 484.218 74.3221 40.1779 74.3215 -277.139 GPRESSURE: 200400 297.578 -17.7366 6.49763 -11.5419 577.696 6.03663 -13.1831 63.581 -241.356 PRESSAVG: 200400 -55.5231 -13.5333 38.8915 -13.5333 74.5523 36.8892 38.8915 36.8894 -29.4375 GPRESSAVG: 200400 -57.1006 -12.9479 40.0593 -13.8811 74.7798 34.3504 38.784 38.0253 -27.7936 TIMING: 200400 CPU: 632.919, 0.00321046/step Wall: 632.919, 0.00321046/step, 4.28026 hours remaining, 232.589844 MB of memory in use. ENERGY: 200400 4012.4144 20438.1122 14463.5245 244.2629 -203534.3165 2956.2702 0.0000 0.0000 52187.2558 -109232.4765 299.9209 -161419.7323 -108877.7753 299.0583 180.9590 211.3059 761258.9349 -3.4694 -3.3715 PRESSURE: 200600 -184.72 -61.2276 68.9109 -61.2281 -16.28 -115.39 68.9106 -115.39 -242.191 GPRESSURE: 200600 -71.5006 -178.256 40.4631 -58.5843 38.7 -156.53 -33.2958 -51.5091 -322.928 PRESSAVG: 200600 -6.58213 -61.5266 3.8499 -61.5266 10.983 15.1465 3.8499 15.1465 -0.954736 GPRESSAVG: 200600 -7.98075 -62.9432 2.85215 -62.5822 14.3215 17.1879 3.88815 15.0546 -2.13064 TIMING: 200600 CPU: 633.551, 0.00316085/step Wall: 633.551, 0.00316085/step, 4.21394 hours remaining, 232.589844 MB of memory in use. ENERGY: 200600 4109.8532 20540.5335 14387.2611 246.1360 -203370.9251 2603.8731 0.0000 0.0000 52255.5803 -109227.6880 300.3135 -161483.2682 -108860.2746 299.3649 -147.7305 -118.5762 762561.0959 1.1487 1.4034 PRESSURE: 200800 460.328 -231.246 230.713 -231.246 220.898 36.4519 230.714 36.4518 -168.781 GPRESSURE: 200800 528.862 -176.342 193.423 -193.932 209.707 -40.8417 210.396 -9.89148 -143.799 PRESSAVG: 200800 91.005 0.874465 16.6626 0.874418 -52.267 -32.2492 16.6626 -32.2491 16.19 GPRESSAVG: 200800 91.2742 2.43148 18.6303 2.40076 -52.6701 -32.7999 16.4369 -33.5454 16.1885 TIMING: 200800 CPU: 634.183, 0.00315758/step Wall: 634.183, 0.00315758/step, 4.20941 hours remaining, 232.589844 MB of memory in use. ENERGY: 200800 4009.8803 20490.0552 14484.6672 246.0133 -203428.1026 2668.3543 0.0000 0.0000 52114.1825 -109414.9497 299.5009 -161529.1321 -109051.3747 299.6277 170.8150 198.2565 761368.8874 18.3093 18.2642 PRESSURE: 201000 249.708 -83.2746 -283.692 -83.275 28.1966 286.601 -283.691 286.601 -100.108 GPRESSURE: 201000 287.296 -87.0669 -309.205 -146.269 17.0864 205.255 -115.169 356.208 -39.8382 PRESSAVG: 201000 35.1453 -22.5692 -3.60397 -22.5692 -36.8138 50.1378 -3.60401 50.1378 -0.71328 GPRESSAVG: 201000 35.0168 -21.6009 -4.12961 -23.9442 -38.5345 50.1305 -4.55637 51.1374 0.505945 TIMING: 201000 CPU: 634.813, 0.00314949/step Wall: 634.813, 0.00314949/step, 4.19845 hours remaining, 232.589844 MB of memory in use. ENERGY: 201000 3934.8096 20439.7609 14434.4776 245.1707 -203256.0340 2650.9831 0.0000 0.0000 52337.1639 -109213.6681 300.7824 -161550.8320 -108853.0115 299.2197 59.2657 88.1812 760603.4497 -0.7939 -1.0039 PRESSURE: 201200 64.5066 -37.651 -313.66 -37.6511 191.85 75.9906 -313.66 75.9898 111.607 GPRESSURE: 201200 153.616 -13.7476 -318.705 26.1767 162.053 37.0946 -243.412 -8.41427 152.113 PRESSAVG: 201200 20.6352 2.86651 -12.4661 2.86649 -16.1512 -2.69663 -12.4661 -2.69663 7.40672 GPRESSAVG: 201200 21.3382 1.5145 -14.1486 5.46939 -15.7093 -2.71184 -12.0732 -3.47491 6.05753 TIMING: 201200 CPU: 635.444, 0.00315594/step Wall: 635.444, 0.00315594/step, 4.20686 hours remaining, 232.792969 MB of memory in use. ENERGY: 201200 3922.5525 20434.5238 14486.7718 267.6182 -203537.9730 3025.4016 0.0000 0.0000 52036.8870 -109364.2181 299.0567 -161401.1051 -109001.7207 299.1934 122.6545 155.9273 761531.7473 3.9636 3.8955 PRESSURE: 201400 -7.84879 36.5191 165.215 36.5198 85.816 270.549 165.215 270.548 -30.3539 GPRESSURE: 201400 40.3272 202.751 148.765 14.0971 90.9164 227.723 152.893 216.536 9.40328 PRESSAVG: 201400 -8.45273 8.42729 17.9772 8.4273 -15.1457 27.1684 17.9772 27.1684 -24.0941 GPRESSAVG: 201400 -9.38046 10.8989 17.2236 3.9163 -14.893 29.5774 18.6289 23.7053 -23.1027 TIMING: 201400 CPU: 636.073, 0.00314451/step Wall: 636.073, 0.00314451/step, 4.19145 hours remaining, 232.792969 MB of memory in use. ENERGY: 201400 3963.6114 20470.8495 14413.7917 239.9452 -202899.0602 2604.6931 0.0000 0.0000 51769.1742 -109436.9952 297.5182 -161206.1694 -109074.8447 298.7454 15.8711 46.8823 763915.6546 -15.8975 -15.7921 PRESSURE: 201600 56.7181 -35.6923 64.7058 -35.6922 61.2444 -94.4926 64.7055 -94.4919 -100.066 GPRESSURE: 201600 81.0136 61.8904 36.152 -76.9237 106.079 -42.9949 64.6788 -141.654 -104.539 PRESSAVG: 201600 60.1711 -5.02938 6.84297 -5.02932 -31.0289 -2.61094 6.84295 -2.61084 -8.04555 GPRESSAVG: 201600 61.8363 -7.13037 8.72007 -2.89312 -31.9868 -4.07898 6.85988 1.54375 -8.94219 TIMING: 201600 CPU: 636.699, 0.00313085/step Wall: 636.699, 0.00313085/step, 4.17308 hours remaining, 232.792969 MB of memory in use. ENERGY: 201600 3953.1259 20499.8829 14415.8489 247.0880 -203396.1322 2806.0602 0.0000 0.0000 52039.2679 -109434.8586 299.0704 -161474.1265 -109070.7366 298.5849 5.9655 27.5178 762859.3632 7.0322 6.9691 PRESSURE: 201800 -181.417 92.9039 -94.9521 92.9042 -104.682 124.267 -94.952 124.267 23.033 GPRESSURE: 201800 -224.794 177.44 -116.904 -53.8314 71.2709 140.463 -21.4336 116.891 -15.7228 PRESSAVG: 201800 -15.4423 38.4271 0.45897 38.4272 -1.66581 -13.6086 0.458955 -13.6086 0.834837 GPRESSAVG: 201800 -16.521 41.6064 -0.552308 37.4923 -0.533742 -13.2978 2.90005 -17.6456 0.531685 TIMING: 201800 CPU: 637.325, 0.00313052/step Wall: 637.325, 0.00313052/step, 4.17246 hours remaining, 232.792969 MB of memory in use. ENERGY: 201800 3923.8327 20442.9017 14480.3198 253.0937 -202932.7119 2419.6053 0.0000 0.0000 52064.7048 -109348.2538 299.2166 -161412.9587 -108985.4901 298.8241 -87.6888 -56.4154 762913.4952 -5.4244 -5.5077 PRESSURE: 202000 431.695 127.19 -60.1265 127.189 -48.1456 58.4117 -60.1273 58.4121 -37.6468 GPRESSURE: 202000 362.399 64.6377 -31.6658 146.436 22.9824 40.6602 -152.414 88.8338 50.9557 PRESSAVG: 202000 3.88363 -8.4351 6.40745 -8.43508 -18.9596 -61.8593 6.40744 -61.8593 -10.0146 GPRESSAVG: 202000 3.68519 -11.4877 5.45056 -8.87882 -20.5249 -64.8229 3.2921 -56.6632 -8.26438 TIMING: 202000 CPU: 637.953, 0.00313885/step Wall: 637.953, 0.00313885/step, 4.18339 hours remaining, 232.792969 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: 202000 3925.1912 20649.9937 14386.9792 253.5192 -203330.5103 2759.9306 0.0000 0.0000 52112.8634 -109242.0329 299.4933 -161354.8963 -108890.3558 298.9466 115.3010 145.4459 761613.5421 -8.3635 -8.3680 PRESSURE: 202200 -154.701 -185.223 -28.3267 -185.223 267.234 6.00905 -28.3263 6.0098 105.209 GPRESSURE: 202200 -22.6512 -111.331 26.7251 -137.037 247.003 -78.862 66.1253 97.4562 90.6817 PRESSAVG: 202200 -0.143001 17.1392 -55.4682 17.1392 9.47969 -34.4658 -55.4682 -34.4658 -1.96641 GPRESSAVG: 202200 0.333084 17.8775 -56.0899 17.1707 10.4686 -32.3127 -54.6158 -35.6136 -3.18141 TIMING: 202200 CPU: 638.584, 0.00315627/step Wall: 638.584, 0.00315627/step, 4.20643 hours remaining, 232.792969 MB of memory in use. ENERGY: 202200 4029.5129 20535.8176 14428.7568 230.2948 -203210.4338 2630.2737 0.0000 0.0000 52037.3790 -109318.3991 299.0595 -161355.7781 -108948.0165 298.7763 72.5805 105.0113 764075.4196 2.4568 2.5401 PRESSURE: 202400 -505.774 69.5923 100.785 69.5911 153.66 178.287 100.786 178.287 -192.536 GPRESSURE: 202400 -457.183 18.871 228.788 111.501 180.708 321.211 -41.3861 75.3821 -175.334 PRESSAVG: 202400 -12.9913 28.4994 -4.17186 28.4993 39.5922 45.4754 -4.17178 45.4755 20.5119 GPRESSAVG: 202400 -13.6358 27.5864 -2.97592 29.6285 41.0252 45.2761 -4.52871 44.7848 19.5018 TIMING: 202400 CPU: 639.214, 0.00314706/step Wall: 639.214, 0.00314706/step, 4.19398 hours remaining, 232.792969 MB of memory in use. ENERGY: 202400 3996.6312 20460.5196 14494.0247 248.8977 -202964.2615 2456.8502 0.0000 0.0000 51995.3128 -109312.0252 298.8178 -161307.3380 -108954.1978 299.0859 -181.5501 -150.6029 764478.6781 15.7043 15.6304 PRESSURE: 202600 246.662 286.501 213.994 286.5 13.8222 -189.602 213.995 -189.603 131.439 GPRESSURE: 202600 315.08 187.744 143.742 142.509 22.0246 -166.531 66.737 -103.694 146.171 PRESSAVG: 202600 40.5568 10.9454 -11.7257 10.9454 -54.6543 -1.41793 -11.7256 -1.41786 -23.0845 GPRESSAVG: 202600 41.4084 12.1388 -11.4921 10.9989 -55.1271 -0.43033 -12.0577 -1.14738 -22.9631 TIMING: 202600 CPU: 639.848, 0.00317204/step Wall: 639.848, 0.00317204/step, 4.2271 hours remaining, 232.863281 MB of memory in use. ENERGY: 202600 3939.4190 20418.4813 14404.3982 261.1740 -203079.5297 2612.4397 0.0000 0.0000 51973.2667 -109470.3507 298.6911 -161443.6175 -109103.8315 298.6843 130.6411 161.0919 763559.2347 -12.3940 -12.2273 PRESSURE: 202800 16.8757 -22.9792 -47.0995 -22.9796 333.766 62.7431 -47.0994 62.7433 -195.928 GPRESSURE: 202800 -70.5048 55.9522 -51.2572 -97.3043 470.601 82.0469 -96.9655 73.4839 -171.977 PRESSAVG: 202800 38.8403 -47.8083 -44.4815 -47.8084 -39.6963 -16.3333 -44.4814 -16.3333 -17.9685 GPRESSAVG: 202800 37.7059 -48.6835 -44.248 -48.521 -39.1569 -16.4437 -42.4487 -16.7116 -17.1542 TIMING: 202800 CPU: 640.476, 0.00313755/step Wall: 640.476, 0.00313755/step, 4.18095 hours remaining, 232.863281 MB of memory in use. ENERGY: 202800 3938.2943 20562.3320 14464.7393 236.3020 -203368.7355 2936.9639 0.0000 0.0000 51768.4101 -109461.6939 297.5138 -161230.1040 -109111.4604 298.3751 51.5711 76.0398 763397.8315 -6.2748 -6.2017 PRESSURE: 203000 45.1236 -40.1307 -27.1076 -40.131 -116.31 -158.392 -27.1084 -158.393 371.12 GPRESSURE: 203000 26.3937 82.7815 -69.7196 -16.6992 -50.6171 -210.877 34.7655 -129.734 406.332 PRESSAVG: 203000 -9.32139 33.6903 29.3656 33.6903 -5.08179 8.53532 29.3656 8.53528 -2.27853 GPRESSAVG: 203000 -9.45663 32.9637 29.5363 34.1362 -5.58142 9.40396 25.7605 8.65164 -1.75609 TIMING: 203000 CPU: 641.106, 0.00315072/step Wall: 641.106, 0.00315072/step, 4.19833 hours remaining, 232.863281 MB of memory in use. ENERGY: 203000 3949.5253 20331.0251 14495.8262 253.3359 -203133.4732 2797.4460 0.0000 0.0000 51828.4030 -109477.9118 297.8585 -161306.3148 -109115.5623 298.1962 99.9780 127.3695 761867.7671 -5.5606 -5.5980 PRESSURE: 203200 -559.729 131.726 91.9042 131.725 -113.682 25.0701 91.9042 25.0716 -71.401 GPRESSURE: 203200 -398.22 249.025 125.059 247.581 -170.113 47.7175 3.07597 -40.1833 -84.1339 PRESSAVG: 203200 6.1652 -30.4856 -28.6191 -30.4856 -44.4279 -7.76901 -28.6191 -7.76898 -10.0633 GPRESSAVG: 203200 6.41856 -28.5427 -28.5911 -29.6625 -43.5972 -7.44519 -27.7593 -8.94601 -10.9962 TIMING: 203200 CPU: 641.736, 0.00315161/step Wall: 641.736, 0.00315161/step, 4.19934 hours remaining, 232.863281 MB of memory in use. ENERGY: 203200 4008.5414 20577.7848 14472.8329 244.5273 -203075.8886 2664.8042 0.0000 0.0000 51951.9055 -109155.4927 298.5683 -161107.3982 -108796.0481 299.0987 -248.2709 -217.4888 764479.0944 -16.1087 -16.0583 PRESSURE: 203400 -32.0513 -116.032 125.458 -116.032 -164.688 69.1105 125.459 69.1113 -51.8205 GPRESSURE: 203400 -127.615 -162.072 86.6404 -64.4516 -121.969 146.334 93.7322 -4.79389 62.0978 PRESSAVG: 203400 -29.1245 -17.9223 -12.3097 -17.9223 -34.6636 16.6569 -12.3097 16.6569 -7.53285 GPRESSAVG: 203400 -28.3116 -18.804 -12.8166 -19.2668 -35.4112 15.1338 -12.6711 18.4445 -7.59996 TIMING: 203400 CPU: 642.364, 0.00314007/step Wall: 642.364, 0.00314007/step, 4.18379 hours remaining, 232.863281 MB of memory in use. ENERGY: 203400 4065.0690 20489.4431 14413.0763 243.2895 -203148.9051 2881.0958 0.0000 0.0000 52068.4752 -108988.4562 299.2382 -161056.9314 -108634.7851 299.5455 -82.8532 -62.4952 762659.3951 -23.7737 -23.7743 PRESSURE: 203600 113.098 -28.3776 42.8138 -28.3779 331.635 -104.133 42.8127 -104.134 -164.255 GPRESSURE: 203600 97.325 -73.3172 18.65 65.6395 357.486 -32.0767 -20.2615 -18.5828 -120.671 PRESSAVG: 203600 70.4696 -35.9411 9.09952 -35.9411 5.29988 -42.6753 9.0995 -42.6754 -6.12954 GPRESSAVG: 203600 70.9152 -35.0161 10.618 -35.8506 4.28101 -42.7257 9.03059 -42.9394 -4.70767 TIMING: 203600 CPU: 642.99, 0.00312917/step Wall: 642.99, 0.00312917/step, 4.1691 hours remaining, 232.863281 MB of memory in use. ENERGY: 203600 3915.9723 20564.3917 14429.8719 243.9070 -203443.2180 3090.0357 0.0000 0.0000 51987.9305 -109211.1090 298.7754 -161199.0395 -108851.8115 299.6468 93.4928 111.3799 763566.7003 23.2133 23.4962 PRESSURE: 203800 -84.9922 -27.1876 -172.977 -27.1866 -153.975 -53.5308 -172.977 -53.5308 44.3099 GPRESSURE: 203800 -29.0661 -28.1629 -151.01 14.7691 -124.09 -172.811 -90.5747 65.7909 68.1648 PRESSAVG: 203800 -42.456 -12.6378 16.2577 -12.6377 36.398 1.95826 16.2577 1.95818 11.4357 GPRESSAVG: 203800 -41.6546 -12.99 16.387 -12.4649 36.4761 1.95579 14.2939 1.82933 10.5636 TIMING: 203800 CPU: 643.616, 0.0031317/step Wall: 643.616, 0.0031317/step, 4.17229 hours remaining, 232.863281 MB of memory in use. ENERGY: 203800 4094.4713 20464.0131 14327.7081 237.8749 -203343.6406 2855.7065 0.0000 0.0000 51878.8981 -109484.9685 298.1487 -161363.8666 -109116.2584 299.2726 -64.8857 -28.3306 762946.4767 1.7925 1.7950 PRESSURE: 204000 -470.129 -94.1842 83.1066 -94.1847 408.678 224.423 83.1066 224.423 -88.2932 GPRESSURE: 204000 -379.396 -36.4781 45.0587 -67.6971 460.193 129.146 104.948 221.83 -145.983 PRESSAVG: 204000 40.3853 -5.22163 15.9798 -5.22158 3.05957 -23.1207 15.9798 -23.1206 -2.63762 GPRESSAVG: 204000 39.021 -2.8904 15.7425 -6.66797 3.70957 -23.8989 18.3055 -24.225 -2.63393 TIMING: 204000 CPU: 644.24, 0.00311678/step Wall: 644.24, 0.00311678/step, 4.15224 hours remaining, 232.863281 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: 204000 3975.1458 20385.4009 14436.3710 253.2033 -203188.0583 2710.5990 0.0000 0.0000 52021.3107 -109406.0277 298.9672 -161427.3384 -109039.2488 298.6016 -49.9147 -21.7287 762199.4122 13.6024 13.3656 PRESSURE: 204200 -7.80373 99.1945 -69.6615 99.1943 -129.259 67.5768 -69.6623 67.5768 -169.133 GPRESSURE: 204200 -22.3791 97.1693 -90.9146 87.3677 -121.835 -6.49391 64.3799 25.0591 -82.3064 PRESSAVG: 204200 -19.2678 26.9844 -52.253 26.9844 72.1564 -2.6868 -52.253 -2.68679 6.85678 GPRESSAVG: 204200 -18.8469 24.7869 -51.6745 28.411 71.4222 -1.96465 -52.0331 -3.18319 7.40694 TIMING: 204200 CPU: 644.87, 0.003154/step Wall: 644.87, 0.003154/step, 4.20166 hours remaining, 232.863281 MB of memory in use. ENERGY: 204200 3999.0736 20445.1764 14397.5361 252.9882 -202691.0796 2310.6310 0.0000 0.0000 51793.9973 -109491.6771 297.6608 -161285.6743 -109141.6146 298.7615 -102.0653 -75.5067 762325.7778 19.9151 19.9941 LDB: ============= START OF LOAD BALANCING ============== 657.402 LDB: ============== END OF LOAD BALANCING =============== 657.402 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 657.404 LDB: ============= START OF LOAD BALANCING ============== 657.718 LDB: Largest compute 7031 load 0.030691 is 15.7% of average load 0.195037 LDB: Average compute 0.004371 is 2.2% of average load 0.195037 LDB: TIME 657.722 LOAD: AVG 0.195037 MAX 0.213814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.391 MB LDB: TIME 657.722 LOAD: AVG 0.195037 MAX 0.213814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.391 MB LDB: TIME 657.722 LOAD: AVG 0.195037 MAX 0.213814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.391 MB LDB: ============== END OF LOAD BALANCING =============== 657.724 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 657.729 PRESSURE: 204400 -174.166 111.822 57.3446 111.822 -53.6658 -258.479 57.345 -258.479 -105.238 GPRESSURE: 204400 -172.814 101.757 48.1542 105.786 23.4888 -203.135 74.3358 -327.586 -86.9834 PRESSAVG: 204400 -13.2834 -23.596 17.7811 -23.5959 -2.68251 -52.2471 17.7811 -52.2471 11.5117 GPRESSAVG: 204400 -13.2574 -23.1275 17.3567 -23.0594 -1.32194 -51.2594 17.2972 -51.1217 10.1729 TIMING: 204400 CPU: 645.512, 0.00320895/step Wall: 645.512, 0.00320895/step, 4.27467 hours remaining, 232.335938 MB of memory in use. ENERGY: 204400 3951.3492 20535.4584 14441.8030 241.1923 -203691.2110 2942.9093 0.0000 0.0000 52131.3414 -109447.1575 299.5995 -161578.4989 -109083.5150 298.7067 -111.0234 -78.7694 764047.0047 -1.4847 -1.4688 PRESSURE: 204600 45.2245 160.368 -314.283 160.368 -78.6246 -195.461 -314.283 -195.46 -135.4 GPRESSURE: 204600 81.3586 109.383 -328.579 175.839 -28.027 -192.052 -392.825 -278.75 -150.099 PRESSAVG: 204600 -32.285 -27.6324 -39.5735 -27.6323 16.9756 -23.0266 -39.5735 -23.0266 -12.0829 GPRESSAVG: 204600 -32.0423 -27.4034 -41.4463 -30.6679 16.8207 -22.9815 -40.8284 -24.414 -11.471 TIMING: 204600 CPU: 646.138, 0.00312712/step Wall: 646.138, 0.00312712/step, 4.1655 hours remaining, 232.667969 MB of memory in use. ENERGY: 204600 4004.5719 20264.5075 14468.5133 252.6096 -203308.1250 2965.7618 0.0000 0.0000 51977.0084 -109375.1525 298.7126 -161352.1609 -109020.9526 298.7062 -56.2666 -32.2559 764073.5705 -9.1308 -8.8975 PRESSURE: 204800 -135.427 -97.0834 -114.13 -97.0825 264.652 125.705 -114.13 125.704 303.302 GPRESSURE: 204800 -125.709 -24.5983 -140.453 -119.969 273.643 57.571 -34.1861 143.172 368.653 PRESSAVG: 204800 -61.8934 15.5608 -41.5431 15.5608 15.5482 -11.9291 -41.5431 -11.9291 -17.6255 GPRESSAVG: 204800 -62.1132 16.3431 -39.5117 17.2806 16.1903 -13.1094 -40.6574 -12.1318 -18.2144 TIMING: 204800 CPU: 646.764, 0.00313002/step Wall: 646.764, 0.00313002/step, 4.16919 hours remaining, 232.667969 MB of memory in use. ENERGY: 204800 3939.4677 20365.7802 14440.1769 261.3679 -203519.5704 2966.1160 0.0000 0.0000 51977.1518 -109569.5099 298.7134 -161546.6617 -109198.4146 298.4553 144.1759 172.1956 762120.7122 -21.3236 -21.3791 PRESSURE: 205000 40.1123 -20.3297 110.429 -20.3294 584.019 39.4206 110.429 39.4212 -30.7237 GPRESSURE: 205000 178.293 -7.51923 55.529 -118.075 497.758 48.3669 38.5432 -73.6533 4.96921 PRESSAVG: 205000 -1.70036 28.0976 -41.5607 28.0976 -11.5033 25.9188 -41.5607 25.9188 -12.6191 GPRESSAVG: 205000 -1.29843 27.0969 -40.4882 28.5367 -12.9916 26.6237 -42.1276 25.8625 -11.3864 TIMING: 205000 CPU: 647.393, 0.00314462/step Wall: 647.393, 0.00314462/step, 4.18846 hours remaining, 232.703125 MB of memory in use. ENERGY: 205000 3936.7601 20501.8428 14542.1202 234.2458 -203168.3067 2636.7903 0.0000 0.0000 52059.2197 -109257.3278 299.1851 -161316.5475 -108902.6116 298.3724 197.8027 227.0067 762076.1992 -8.6076 -8.5588 PRESSURE: 205200 308.757 130.235 31.2025 130.235 128.435 167.89 31.2025 167.889 -75.7131 GPRESSURE: 205200 293.068 248.376 -16.3201 11.9093 218.122 108.859 56.8696 45.545 -65.4173 PRESSAVG: 205200 23.7607 40.2781 -8.3124 40.2781 -5.40207 -13.8017 -8.31243 -13.8017 21.0087 GPRESSAVG: 205200 22.8832 40.2352 -11.1242 40.6981 -4.18903 -14.3886 -6.32401 -12.0916 20.7459 TIMING: 205200 CPU: 648.02, 0.00313641/step Wall: 648.02, 0.00313641/step, 4.17735 hours remaining, 232.703125 MB of memory in use. ENERGY: 205200 4039.6828 20442.7315 14455.2362 268.7835 -202790.2247 2396.5904 0.0000 0.0000 51965.9312 -109221.2691 298.6489 -161187.2003 -108856.0002 298.6012 120.4930 148.5907 762091.0798 13.1224 13.1467 PRESSURE: 205400 36.7611 197.018 -4.1563 197.018 111.052 -203.404 -4.15671 -203.405 44.8308 GPRESSURE: 205400 76.5204 187.838 26.8916 134.874 178.836 -118.387 -43.5133 -261.269 42.1936 PRESSAVG: 205400 -17.7152 34.6447 -9.4373 34.6447 34.8534 -15.0555 -9.43734 -15.0555 3.52415 GPRESSAVG: 205400 -15.8016 35.7193 -9.19862 33.0317 34.3583 -15.485 -10.112 -14.5758 2.23441 TIMING: 205400 CPU: 648.647, 0.00313452/step Wall: 648.647, 0.00313452/step, 4.17466 hours remaining, 232.703125 MB of memory in use. ENERGY: 205400 3929.8317 20317.8792 14429.6536 237.3457 -202928.1613 2619.4130 0.0000 0.0000 52121.3129 -109272.7252 299.5419 -161394.0381 -108903.0146 298.3953 64.2148 99.1834 763644.5149 6.8875 6.9304 PRESSURE: 205600 -292.054 -90.0487 40.1126 -90.0492 -117.326 144.31 40.1118 144.311 -79.6617 GPRESSURE: 205600 -175.641 -24.6946 12.5139 -104.595 -149.34 127.548 -112.885 27.3318 -63.6216 PRESSAVG: 205600 19.2921 22.8925 -18.991 22.8925 -46.4332 -14.5701 -18.991 -14.5701 8.1114 GPRESSAVG: 205600 17.9479 21.3747 -18.9316 24.5107 -45.679 -13.1202 -19.0593 -14.9715 8.79595 TIMING: 205600 CPU: 649.272, 0.00312644/step Wall: 649.272, 0.00312644/step, 4.16372 hours remaining, 232.703125 MB of memory in use. ENERGY: 205600 3939.5494 20624.4404 14371.9128 258.7163 -202629.8838 2370.2054 0.0000 0.0000 52055.4068 -109009.6528 299.1631 -161065.0596 -108655.1110 298.7629 -163.0137 -129.5339 764673.1116 -6.3433 -6.3117 PRESSURE: 205800 120.55 -54.6752 -169.94 -54.6763 329.442 177.297 -169.94 177.296 -189.007 GPRESSURE: 205800 115.27 -129.256 -184.333 -38.7144 352.683 121.17 24.0503 140.138 -116.273 PRESSAVG: 205800 -29.6664 30.7215 0.597323 30.7215 49.1565 29.6396 0.597314 29.6396 2.17405 GPRESSAVG: 205800 -30.9217 29.8554 2.43259 30.9828 49.4012 29.6096 0.00378848 27.0978 3.2214 TIMING: 205800 CPU: 649.895, 0.00311368/step Wall: 649.895, 0.00311368/step, 4.14656 hours remaining, 232.703125 MB of memory in use. ENERGY: 205800 4038.0783 20391.9602 14425.0836 230.7852 -202986.0037 2728.9713 0.0000 0.0000 52153.3492 -109017.7759 299.7260 -161171.1251 -108657.0277 299.4407 86.9952 117.2264 760944.2637 7.2214 7.2336 PRESSURE: 206000 -167.164 15.3444 266.672 15.3459 -80.5025 -169.963 266.672 -169.964 -78.3276 GPRESSURE: 206000 -142.423 25.1454 179.552 16.8136 -104.533 -155.933 202.708 -139.758 6.72679 PRESSAVG: 206000 82.2212 22.0691 4.07401 22.0691 -103.528 -30.2322 4.07393 -30.2322 5.48825 GPRESSAVG: 206000 82.7378 23.0924 2.80998 19.8373 -104.055 -31.8485 4.81618 -29.1284 5.76538 TIMING: 206000 CPU: 650.522, 0.00313601/step Wall: 650.522, 0.00313601/step, 4.17612 hours remaining, 232.703125 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: 206000 4098.3154 20533.0867 14491.3500 234.3141 -202977.3466 2515.2560 0.0000 0.0000 52002.9553 -109102.0691 298.8617 -161105.0244 -108735.7824 299.6099 -108.6647 -80.0764 763094.3191 -5.2728 -5.1840 PRESSURE: 206200 -139.645 83.9712 -110.583 83.9706 142.407 -190.248 -110.584 -190.248 10.329 GPRESSURE: 206200 -38.0068 134.109 -151.71 15.485 128.896 -172.305 -32.8794 -171.874 30.7668 PRESSAVG: 206200 -32.3914 32.1858 -26.3034 32.1858 21.6958 -38.3829 -26.3035 -38.383 -18.3036 GPRESSAVG: 206200 -31.2734 34.3453 -26.2098 32.2101 22.3773 -37.3692 -28.5314 -37.3447 -19.5113 TIMING: 206200 CPU: 651.15, 0.00314116/step Wall: 651.15, 0.00314116/step, 4.18281 hours remaining, 232.703125 MB of memory in use. ENERGY: 206200 3981.0497 20614.6631 14486.8668 247.2748 -203422.4305 2842.3338 0.0000 0.0000 52224.1835 -109026.0588 300.1331 -161250.2424 -108672.1127 299.6798 4.3638 40.5519 762417.4453 -9.6664 -9.4691 PRESSURE: 206400 -52.4966 -6.03247 -233.795 -6.03297 -511.07 158.504 -233.795 158.505 -105.768 GPRESSURE: 206400 -64.0318 -40.4345 -213.268 -29.3197 -357.701 114.235 -74.1821 57.2175 -165.24 PRESSAVG: 206400 -4.55254 41.1949 25.8061 41.1949 3.65617 -69.2588 25.8061 -69.2588 6.355 GPRESSAVG: 206400 -6.29045 39.5359 25.2786 42.3703 4.54922 -70.6632 27.5023 -69.7234 6.94753 TIMING: 206400 CPU: 651.781, 0.00315637/step Wall: 651.781, 0.00315637/step, 4.20288 hours remaining, 232.703125 MB of memory in use. ENERGY: 206400 4028.5037 20553.6310 14478.2008 242.1563 -203121.7532 2547.3403 0.0000 0.0000 52579.5823 -108692.3388 302.1756 -161271.9211 -108335.0888 300.1633 -223.1117 -195.6575 762737.6241 1.8195 1.7354 PRESSURE: 206600 -346.595 94.8577 -104.836 94.8572 -192.644 -8.70011 -104.836 -8.70148 -162.564 GPRESSURE: 206600 -277.213 96.843 -88.7897 -50.6114 -192.883 -46.7762 -123.722 23.5246 -158.371 PRESSAVG: 206600 -18.1938 24.5934 -21.9284 24.5934 30.8594 -11.2839 -21.9284 -11.2839 -11.2928 GPRESSAVG: 206600 -17.5246 24.6973 -21.6927 25.1346 29.9041 -9.5117 -19.4286 -11.9405 -11.5227 TIMING: 206600 CPU: 652.412, 0.0031507/step Wall: 652.412, 0.00315069/step, 4.19515 hours remaining, 232.703125 MB of memory in use. ENERGY: 206600 4077.6210 20626.5236 14545.9816 245.1971 -202963.8803 2589.4498 0.0000 0.0000 52516.0083 -108363.0989 301.8102 -160879.1072 -107996.6226 300.9335 -233.9344 -209.4891 764223.8004 0.4576 0.2856 PRESSURE: 206800 -2.69605 -113.347 88.4624 -113.346 -553.303 -24.9837 88.4623 -24.9826 -75.0618 GPRESSURE: 206800 10.7949 -116.13 37.5732 -137.072 -505.31 -82.935 66.2874 -100.342 -43.2662 PRESSAVG: 206800 12.3437 85.5901 1.70736 85.5901 6.08917 0.416478 1.70736 0.416407 -11.7122 GPRESSAVG: 206800 11.636 85.4139 0.648626 85.8727 6.05341 0.644347 -2.25438 2.20938 -11.3167 TIMING: 206800 CPU: 653.042, 0.00315011/step Wall: 653.042, 0.00315011/step, 4.1942 hours remaining, 232.703125 MB of memory in use. ENERGY: 206800 4062.1068 20817.0196 14477.6754 257.8014 -202513.4127 2417.8859 0.0000 0.0000 52138.5199 -108342.4037 299.6408 -160480.9236 -107984.0715 301.3602 -210.3537 -179.2605 764508.9174 2.2402 2.1243 PRESSURE: 207000 108.002 -24.8289 -83.1328 -24.8299 245.826 -80.6106 -83.1325 -80.6106 -56.6033 GPRESSURE: 207000 128.58 -61.8944 -79.2566 30.1393 233.693 -52.9256 4.74681 6.81233 23.5092 PRESSAVG: 207000 94.6464 21.4429 -10.3465 21.4429 -90.3048 0.570443 -10.3465 0.57052 -5.76969 GPRESSAVG: 207000 93.899 22.1843 -9.20963 21.8678 -90.6338 0.588524 -9.99638 -4.30816 -5.13071 TIMING: 207000 CPU: 653.674, 0.00315967/step Wall: 653.674, 0.00315967/step, 4.20675 hours remaining, 232.703125 MB of memory in use. ENERGY: 207000 3957.2188 20628.1869 14485.7816 221.7720 -202680.0066 2682.7064 0.0000 0.0000 52300.6036 -108403.7373 300.5723 -160704.3409 -108038.0398 301.0781 99.0749 128.5943 762507.0574 -0.4760 -0.6218 PRESSURE: 207200 -190.566 -103.238 -66.9377 -103.238 -234.157 -131.247 -66.9372 -131.248 171.748 GPRESSURE: 207200 -94.6534 -103.057 -67.2621 -161.646 -227.155 -135.584 -54.3813 -147.831 144.067 PRESSAVG: 207200 16.5285 23.3854 -2.83586 23.3854 -20.6605 -30.9033 -2.83588 -30.9033 -19.9059 GPRESSAVG: 207200 17.0135 22.6776 -1.73551 24.1009 -20.5075 -31.2082 -0.519734 -26.7195 -21.1178 TIMING: 207200 CPU: 654.3, 0.00313434/step Wall: 654.3, 0.00313434/step, 4.17285 hours remaining, 232.703125 MB of memory in use. ENERGY: 207200 4011.4427 20650.9392 14503.2539 265.2226 -202909.7946 2658.0341 0.0000 0.0000 52227.1955 -108593.7066 300.1504 -160820.9021 -108227.0303 300.8925 -84.3250 -59.2471 763305.7366 -8.0126 -8.2039 PRESSURE: 207400 -485.257 141.067 40.7984 141.066 -273.913 144.446 40.7984 144.447 59.6914 GPRESSURE: 207400 -357.866 167.849 82.7679 203.344 -299.537 139.38 -57.8157 186.606 47.9814 PRESSAVG: 207400 24.569 1.32108 11.0186 1.32109 -4.69171 31.575 11.0186 31.5749 -2.86505 GPRESSAVG: 207400 24.5822 2.01118 9.86003 0.99656 -5.14043 31.7624 9.77676 31.2573 -2.56682 TIMING: 207400 CPU: 654.928, 0.00313811/step Wall: 654.928, 0.00313811/step, 4.1777 hours remaining, 232.703125 MB of memory in use. ENERGY: 207400 4060.8933 20580.7511 14562.9296 230.8694 -202949.2193 2613.7888 0.0000 0.0000 52182.1462 -108717.8410 299.8915 -160899.9872 -108336.8931 300.5969 -233.1594 -203.1405 764867.3214 5.6707 5.6250 PRESSURE: 207600 393.532 -100.672 11.6351 -100.672 114.538 53.889 11.6356 53.8887 122.796 GPRESSURE: 207600 490.142 -91.5597 70.4057 -100.376 66.6492 57.3261 -48.1515 -81.545 155.215 PRESSAVG: 207600 50.933 25.5918 4.17133 25.5918 -52.4771 6.11285 4.17141 6.11286 -6.24772 GPRESSAVG: 207600 50.882 24.1056 4.13961 24.9564 -51.6496 5.85634 3.71925 5.57875 -7.20648 TIMING: 207600 CPU: 655.555, 0.00313548/step Wall: 655.555, 0.00313548/step, 4.17403 hours remaining, 232.703125 MB of memory in use. ENERGY: 207600 3964.8053 20681.8270 14502.0989 238.3666 -203023.6924 2763.0874 0.0000 0.0000 52328.4057 -108545.1015 300.7321 -160873.5072 -108190.2710 300.6929 210.2884 237.3355 763830.7478 -2.5973 -2.6580 PRESSURE: 207800 249.89 -18.2934 92.7256 -18.2933 310.514 -84.1365 92.7248 -84.1374 20.7976 GPRESSURE: 207800 178.69 47.2157 51.3148 -157.095 390.338 -65.5235 16.0169 42.8426 96.2067 PRESSAVG: 207800 45.8187 -42.2935 -5.51035 -42.2935 -23.2578 11.5575 -5.51035 11.5575 -15.2206 GPRESSAVG: 207800 46.0206 -40.4587 -6.10832 -43.6004 -23.3521 12.3138 -7.08186 12.0145 -15.0897 TIMING: 207800 CPU: 656.182, 0.00313182/step Wall: 656.182, 0.00313182/step, 4.16897 hours remaining, 232.703125 MB of memory in use. ENERGY: 207800 3990.5480 20684.2996 14445.3998 245.4309 -202911.9877 2669.7487 0.0000 0.0000 52428.3260 -108448.2347 301.3063 -160876.5607 -108090.1790 301.3397 193.7337 221.7449 762774.1483 2.4468 2.5262 PRESSURE: 208000 -10.9235 -55.7209 -415.792 -55.7209 -128.99 -191.284 -415.792 -191.284 299.176 GPRESSURE: 208000 -29.2194 -55.9121 -366.37 -47.1934 -24.1772 -240.33 -302.275 -109.328 291.584 PRESSAVG: 208000 16.1461 48.9763 1.18294 48.9763 -39.2958 -94.4384 1.18292 -94.4384 13.6806 GPRESSAVG: 208000 15.3178 46.5426 1.89262 50.9107 -39.9291 -94.7111 3.15964 -95.5578 14.6521 TIMING: 208000 CPU: 656.808, 0.0031342/step Wall: 656.808, 0.0031342/step, 4.17196 hours remaining, 232.703125 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: 208000 4027.0403 20612.8369 14416.2200 229.8849 -202772.5752 2529.0541 0.0000 0.0000 52418.6047 -108538.9342 301.2504 -160957.5389 -108181.3482 301.1483 53.0876 79.3957 762021.3211 -3.1563 -3.3197 PRESSURE: 208200 -211.702 152.348 60.2376 152.348 108.204 299.542 60.2372 299.541 -191.693 GPRESSURE: 208200 -194.802 209.963 16.5547 114.135 162.785 271.633 93.0598 275.377 -171.314 PRESSAVG: 208200 8.32493 24.6162 -11.7207 24.6163 -7.47138 -19.0533 -11.7206 -19.0533 2.83722 GPRESSAVG: 208200 10.2019 26.3257 -12.6534 24.1616 -9.08592 -19.9812 -12.5676 -18.4256 2.05634 TIMING: 208200 CPU: 657.44, 0.00315944/step Wall: 657.44, 0.00315944/step, 4.20538 hours remaining, 232.703125 MB of memory in use. ENERGY: 208200 4040.3959 20685.5292 14469.6742 258.1284 -202808.6511 2471.6152 0.0000 0.0000 52137.3025 -108746.0058 299.6338 -160883.3083 -108387.2861 300.6537 -98.3967 -67.7770 762997.6297 1.2303 1.0574 LDB: ============= START OF LOAD BALANCING ============== 669.971 LDB: ============== END OF LOAD BALANCING =============== 669.971 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 669.973 LDB: ============= START OF LOAD BALANCING ============== 670.288 LDB: Largest compute 7026 load 0.030749 is 15.8% of average load 0.194841 LDB: Average compute 0.004397 is 2.3% of average load 0.194841 LDB: TIME 670.292 LOAD: AVG 0.194841 MAX 0.212123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.539 MB LDB: TIME 670.292 LOAD: AVG 0.194841 MAX 0.212123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.672 MB LDB: TIME 670.292 LOAD: AVG 0.194841 MAX 0.212123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.672 MB LDB: ============== END OF LOAD BALANCING =============== 670.294 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 670.299 PRESSURE: 208400 -382.405 78.6748 -84.989 78.6743 -139.207 75.9711 -84.9899 75.9703 127.571 GPRESSURE: 208400 -245.234 -31.8161 -61.6036 31.4263 -187.389 172.492 -8.97792 51.1074 115.781 PRESSAVG: 208400 -20.5151 10.084 13.2338 10.0839 19.701 1.36401 13.2338 1.36396 12.0989 GPRESSAVG: 208400 -22.299 9.03086 14.719 11.0171 21.5405 2.5257 12.4407 1.17321 12.0581 TIMING: 208400 CPU: 658.082, 0.00320914/step Wall: 658.082, 0.00320914/step, 4.27137 hours remaining, 231.804688 MB of memory in use. ENERGY: 208400 4039.5859 20659.4814 14502.2383 252.1950 -202661.5581 2052.9130 0.0000 0.0000 52252.5777 -108902.5669 300.2963 -161155.1445 -108537.6972 300.5257 -131.3469 -105.6139 762667.4609 3.7616 3.7665 PRESSURE: 208600 347.141 6.79906 -31.0951 6.79969 357.54 56.3737 -31.0958 56.3727 214.211 GPRESSURE: 208600 405.508 51.8523 -25.2976 12.6899 414.3 80.6389 -142.554 -70.9883 187.833 PRESSAVG: 208600 37.0433 32.3131 10.8488 32.3132 -15.7597 31.1515 10.8488 31.1514 -4.15893 GPRESSAVG: 208600 38.8545 33.0411 12.3267 29.8942 -16.6646 32.0285 9.957 28.8282 -4.54513 TIMING: 208600 CPU: 658.717, 0.00317656/step Wall: 658.717, 0.00317656/step, 4.22782 hours remaining, 231.949219 MB of memory in use. ENERGY: 208600 4013.3653 20562.7382 14444.5453 225.7740 -203606.4904 3170.4899 0.0000 0.0000 52173.9740 -109015.6036 299.8445 -161189.5776 -108650.2064 300.0997 306.2972 335.8803 762090.0585 5.7082 5.8816 PRESSURE: 208800 49.6572 -9.05408 71.1346 -9.05334 162.588 -225.964 71.1354 -225.962 70.0385 GPRESSURE: 208800 34.783 -77.8392 20.3336 57.2875 197.728 -179.918 152.451 -195.631 119.409 PRESSAVG: 208800 -21.128 22.1824 -11.3627 22.1824 -26.9428 -6.51514 -11.3627 -6.51512 -1.88189 GPRESSAVG: 208800 -22.2211 22.0552 -11.9141 24.3533 -27.5029 -6.14191 -11.3086 -5.50698 -1.26523 TIMING: 208800 CPU: 659.343, 0.00312563/step Wall: 659.343, 0.00312563/step, 4.15987 hours remaining, 231.949219 MB of memory in use. ENERGY: 208800 4016.6173 20684.2949 14378.4494 260.5707 -202767.6318 2548.5974 0.0000 0.0000 51956.8164 -108922.2857 298.5965 -160879.1021 -108553.5700 299.1923 94.0945 117.3070 763927.6373 -16.6509 -16.9964 PRESSURE: 209000 -94.1091 -223.917 -163.711 -223.918 35.6367 113.906 -163.71 113.906 -166.843 GPRESSURE: 209000 -5.69748 -152.169 -104.67 -115.876 7.80151 158.809 -180.763 139.728 -155.142 PRESSAVG: 209000 -57.9222 -9.13996 4.43023 -9.14 63.1887 4.64895 4.43028 4.64897 21.6798 GPRESSAVG: 209000 -56.8416 -8.94404 4.69754 -8.96623 61.909 3.92943 5.43489 5.93424 21.8327 TIMING: 209000 CPU: 659.97, 0.00313717/step Wall: 659.97, 0.00313717/step, 4.17505 hours remaining, 231.949219 MB of memory in use. ENERGY: 209000 3947.4441 20555.0045 14465.5037 252.5341 -202943.4746 2388.7012 0.0000 0.0000 52316.5790 -109017.7080 300.6641 -161334.2870 -108648.6846 300.2154 -75.1051 -51.0128 762850.5193 8.9821 8.9667 PRESSURE: 209200 -488.144 24.3602 112.376 24.3597 -57.8838 -67.6685 112.377 -67.6701 -442.98 GPRESSURE: 209200 -476.398 -104.369 66.1714 11.0074 17.9811 -50.7572 87.3511 -44.4296 -452.625 PRESSAVG: 209200 -33.2375 4.3281 -27.2403 4.3281 56.252 50.7158 -27.2402 50.7157 6.45888 GPRESSAVG: 209200 -33.2917 3.94945 -28.6545 2.40551 56.8607 49.3858 -27.8818 50.8298 6.21118 TIMING: 209200 CPU: 660.601, 0.00315294/step Wall: 660.601, 0.00315294/step, 4.19586 hours remaining, 231.949219 MB of memory in use. ENERGY: 209200 4013.5003 20586.5231 14449.1820 250.2571 -202983.0111 2395.8537 0.0000 0.0000 52125.7831 -109161.9118 299.5676 -161287.6950 -108789.4938 299.8834 -329.6689 -303.6807 762955.3105 9.8245 9.9267 PRESSURE: 209400 52.5125 51.5619 147.398 51.5617 154.912 -112.126 147.397 -112.127 293.699 GPRESSURE: 209400 100.468 98.0789 176.366 66.0086 113.177 -134.441 13.9887 22.9218 378.916 PRESSAVG: 209400 17.3536 -51.1025 53.493 -51.1025 32.4533 50.746 53.4931 50.746 -2.86629 GPRESSAVG: 209400 15.3827 -51.5016 53.8752 -48.5576 33.7972 52.2083 53.2027 49.2232 -2.76088 TIMING: 209400 CPU: 661.232, 0.00315875/step Wall: 661.232, 0.00315875/step, 4.20342 hours remaining, 231.949219 MB of memory in use. ENERGY: 209400 3968.9229 20518.9378 14446.7207 255.2268 -203057.1114 2499.8379 0.0000 0.0000 52241.5167 -109125.9486 300.2327 -161367.4653 -108755.3565 299.4477 167.0410 197.5203 762673.8201 15.6469 15.4730 PRESSURE: 209600 -92.1851 43.9449 12.2169 43.9455 -167.076 96.9968 12.217 96.9961 -60.9922 GPRESSURE: 209600 -32.0971 -52.3795 64.3711 97.5331 -122.765 47.6266 -9.62361 184.333 -62.9397 PRESSAVG: 209600 -2.41033 -10.3275 19.5842 -10.3276 -39.4768 53.6125 19.5842 53.6125 25.5468 GPRESSAVG: 209600 -1.91513 -10.5928 20.5458 -8.68276 -39.4348 52.0261 21.1375 54.8845 24.8822 TIMING: 209600 CPU: 661.866, 0.00316644/step Wall: 661.866, 0.00316644/step, 4.21347 hours remaining, 231.949219 MB of memory in use. ENERGY: 209600 4016.3449 20676.7943 14449.4010 251.3879 -203131.2801 2591.9819 0.0000 0.0000 51903.9195 -109241.4506 298.2925 -161145.3701 -108885.7728 299.6627 -106.7509 -72.6006 762837.0748 -5.4468 -5.4893 PRESSURE: 209800 636.514 -98.3483 101.733 -98.3482 322.33 -182.849 101.734 -182.85 51.4823 GPRESSURE: 209800 580.167 -41.8022 72.7356 -121.841 434.643 -247.149 171.098 -245.289 60.2481 PRESSAVG: 209800 46.8356 18.1376 49.7523 18.1376 -20.8626 -9.81667 49.7522 -9.81667 -12.992 GPRESSAVG: 209800 47.3022 19.1309 48.1053 16.3321 -20.6655 -8.90246 50.875 -10.8835 -13.1516 TIMING: 209800 CPU: 662.499, 0.00316869/step Wall: 662.499, 0.00316869/step, 4.21629 hours remaining, 231.949219 MB of memory in use. ENERGY: 209800 4012.2889 20655.9696 14393.2470 248.6586 -203604.0225 2940.1648 0.0000 0.0000 52121.0636 -109232.6298 299.5405 -161353.6934 -108870.5754 299.3105 336.7755 358.3529 760447.1022 4.3270 4.4950 PRESSURE: 210000 23.3775 -96.4779 -121.013 -96.4767 -263 139.09 -121.014 139.09 479.623 GPRESSURE: 210000 18.0544 -16.6515 -145.833 -127.556 -178.578 139.057 -77.4248 161.21 487.642 PRESSAVG: 210000 34.3533 -34.2085 80.424 -34.2085 -9.80208 -33.2757 80.4241 -33.2758 1.6341 GPRESSAVG: 210000 34.3985 -33.0546 80.4893 -36.8223 -9.67705 -33.5115 78.6534 -32.1516 1.69702 TIMING: 210000 CPU: 663.128, 0.00314473/step Wall: 663.128, 0.00314473/step, 4.18424 hours remaining, 231.949219 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: 210000 3933.3115 20435.0664 14419.8659 270.8133 -202951.4231 2381.2093 0.0000 0.0000 52339.5875 -109171.5692 300.7963 -161511.1568 -108802.0645 299.4720 80.0004 109.0395 762460.3690 8.7285 8.8062 PRESSURE: 210200 52.913 128.333 14.7075 128.333 180.874 50.6971 14.7084 50.6955 -345.136 GPRESSURE: 210200 106.428 224.341 48.7191 76.8112 192.892 56.2755 -158.614 187.883 -335.535 PRESSAVG: 210200 2.02115 52.6129 45.8247 52.6129 -53.6132 66.5994 45.8247 66.5995 6.44585 GPRESSAVG: 210200 1.8086 51.1611 46.5833 55.7592 -53.6016 66.0274 45.3135 66.518 6.31272 TIMING: 210200 CPU: 663.756, 0.00314042/step Wall: 663.756, 0.00314042/step, 4.17833 hours remaining, 231.949219 MB of memory in use. ENERGY: 210200 3909.5002 20491.0083 14413.0195 252.8856 -203259.6017 2668.4079 0.0000 0.0000 52502.3380 -109022.4422 301.7317 -161524.7802 -108655.8075 299.9234 -37.1163 -12.0716 760770.6444 -15.0487 -15.1601 PRESSURE: 210400 -211.327 -33.693 53.0802 -33.6932 -1.97165 -26.6156 53.0793 -26.6162 494.958 GPRESSURE: 210400 -132.615 -11.6608 95.5938 28.6957 13.9242 -72.1536 37.5512 31.6975 499.429 PRESSAVG: 210400 13.0159 -34.6787 53.1978 -34.6787 43.9672 8.83606 53.1978 8.83602 -8.00359 GPRESSAVG: 210400 12.7267 -35.4475 52.8047 -36.918 42.5434 9.2755 54.1492 8.69774 -6.43975 TIMING: 210400 CPU: 664.382, 0.00313005/step Wall: 664.382, 0.00313005/step, 4.16436 hours remaining, 231.949219 MB of memory in use. ENERGY: 210400 3892.4184 20573.9790 14357.0679 243.8694 -203161.3330 2902.4651 0.0000 0.0000 52262.2136 -108929.3196 300.3517 -161191.5332 -108564.2807 300.4768 93.8867 126.9128 762615.4523 16.3265 16.2768 PRESSURE: 210600 -101.772 -151.028 -105.542 -151.028 -566.045 84.637 -105.543 84.6364 -280.116 GPRESSURE: 210600 -120.487 -113.541 -109.577 -63.2569 -463.865 59.0328 -79.3142 82.5663 -271.118 PRESSAVG: 210600 -31.4238 -18.8831 -13.3818 -18.883 3.50153 35.4323 -13.3818 35.4324 19.6408 GPRESSAVG: 210600 -30.1322 -16.707 -10.9192 -16.6145 4.15233 35.058 -13.8831 37.0288 17.1134 TIMING: 210600 CPU: 665.013, 0.00315542/step Wall: 665.013, 0.00315542/step, 4.19794 hours remaining, 231.937500 MB of memory in use. ENERGY: 210600 3978.9662 20590.5974 14445.9085 226.6471 -202901.3773 2392.8764 0.0000 0.0000 52285.3366 -108981.0451 300.4845 -161266.3817 -108614.6843 300.4853 -315.9775 -285.1568 764009.6150 -2.7605 -2.9555 PRESSURE: 210800 10.1255 49.0741 28.8264 49.0748 505.203 -50.6859 28.8273 -50.687 282.645 GPRESSURE: 210800 128.473 -59.0313 58.5701 35.5722 495.223 -100.345 -42.8419 3.07485 265.445 PRESSAVG: 210800 -27.14 -0.156399 -18.1038 -0.156362 32.0356 19.5554 -18.1038 19.5554 -29.0805 GPRESSAVG: 210800 -28.314 -3.24775 -19.2141 -2.27949 32.0679 19.3295 -18.8445 20.0486 -27.7856 TIMING: 210800 CPU: 665.643, 0.00314759/step Wall: 665.643, 0.00314759/step, 4.18735 hours remaining, 231.949219 MB of memory in use. ENERGY: 210800 4066.1102 20513.3804 14384.4650 247.8277 -203901.4741 3224.1566 0.0000 0.0000 52449.3655 -109016.1686 301.4272 -161465.5341 -108656.7805 300.3979 265.9910 296.3804 761419.9562 -8.0616 -8.0106 PRESSURE: 211000 64.371 -52.3542 -257.459 -52.354 231.443 170.638 -257.459 170.637 -196.136 GPRESSURE: 211000 45.2343 -68.945 -213.153 28.1194 303.203 157.62 -247.709 154.848 -168.726 PRESSAVG: 211000 -19.59 21.7373 -3.01385 21.7373 36.5427 13.6919 -3.01379 13.692 4.41842 GPRESSAVG: 211000 -18.2692 23.7471 -3.45631 21.8022 35.322 13.2194 -3.89614 11.6989 4.56493 TIMING: 211000 CPU: 666.273, 0.00314892/step Wall: 666.273, 0.00314892/step, 4.18894 hours remaining, 231.949219 MB of memory in use. ENERGY: 211000 3979.5652 20682.6310 14453.5570 248.8510 -203416.0333 2943.0334 0.0000 0.0000 52266.8784 -108841.5173 300.3785 -161108.3957 -108477.1563 300.1099 33.2261 59.9039 762516.3778 7.1237 7.2059 PRESSURE: 211200 -35.9108 -88.1733 268.664 -88.1739 -116.279 188.776 268.665 188.775 -285.949 GPRESSURE: 211200 14.7777 -104.38 298.187 -154.093 -109.493 162.899 348.428 211.234 -281.052 PRESSAVG: 211200 2.9515 -55.1486 25.85 -55.1486 -5.19508 13.6532 25.8499 13.6532 -0.0516848 GPRESSAVG: 211200 1.22165 -55.4341 26.892 -56.4612 -3.80279 16.0995 27.4117 13.0291 0.0842884 TIMING: 211200 CPU: 666.899, 0.00313325/step Wall: 666.899, 0.00313325/step, 4.16792 hours remaining, 231.949219 MB of memory in use. ENERGY: 211200 4027.7613 20522.2407 14484.7932 237.3727 -202511.0777 2312.0330 0.0000 0.0000 52201.5047 -108725.3721 300.0028 -160926.8767 -108360.4719 300.7468 -146.0463 -125.2555 762371.3840 -0.7651 -0.8323 PRESSURE: 211400 117.486 203.051 -127.599 203.051 -31.6573 25.0683 -127.598 25.0684 38.2573 GPRESSURE: 211400 173.072 350.39 -120.946 149.806 -12.1866 46.7902 -79.7182 -99.4558 43.5614 PRESSAVG: 211400 -0.968741 20.8634 29.7268 20.8635 -48.9237 21.7104 29.7268 21.7104 12.3773 GPRESSAVG: 211400 0.342979 20.1869 28.4837 22.4347 -49.64 19.9636 30.6956 21.4274 12.1675 TIMING: 211400 CPU: 667.532, 0.00316268/step Wall: 667.532, 0.00316268/step, 4.20689 hours remaining, 231.949219 MB of memory in use. ENERGY: 211400 4025.8374 20739.3383 14507.3704 274.3586 -202851.4262 2580.2505 0.0000 0.0000 52109.1759 -108615.0951 299.4721 -160724.2710 -108259.4371 300.5853 41.3620 68.1488 762322.0903 -12.5050 -12.3765 PRESSURE: 211600 -183.595 -64.4452 -3.77492 -64.4458 31.7 -89.264 -3.77456 -89.2639 -276.914 GPRESSURE: 211600 -228.555 -38.8413 -73.6503 105.036 57.5553 -22.6612 21.4967 -87.0528 -171.363 PRESSAVG: 211600 -9.35298 12.3803 -71.3443 12.3802 14.695 5.50472 -71.3443 5.50469 -20.6467 GPRESSAVG: 211600 -9.94423 11.9712 -72.2537 13.1821 15.4414 6.20829 -71.0298 6.76986 -21.2274 TIMING: 211600 CPU: 668.161, 0.00314601/step Wall: 668.161, 0.00314601/step, 4.18455 hours remaining, 231.949219 MB of memory in use. ENERGY: 211600 3996.7420 20710.3575 14456.8734 260.5280 -202980.5257 2668.0739 0.0000 0.0000 52117.5436 -108770.4073 299.5202 -160887.9509 -108419.7254 300.4801 -142.9362 -114.1209 763046.7382 -5.1016 -5.2434 PRESSURE: 211800 96.1394 -143.763 -55.3505 -143.763 -63.0026 -154.77 -55.3497 -154.771 -1.01997 GPRESSURE: 211800 157.095 -198.377 36.676 -218.595 -36.9352 -129.868 -159.919 -48.8793 2.42135 PRESSAVG: 211800 -50.3454 -6.78924 -7.97753 -6.78934 12.2729 -30.5644 -7.97749 -30.5643 5.118 GPRESSAVG: 211800 -50.8435 -6.78103 -6.46798 -7.59737 12.3053 -30.1173 -7.85266 -30.5391 5.75504 TIMING: 211800 CPU: 668.787, 0.00313132/step Wall: 668.787, 0.00313132/step, 4.16483 hours remaining, 231.937500 MB of memory in use. ENERGY: 211800 3981.3940 20701.8479 14504.7243 260.5353 -202890.9354 2672.8627 0.0000 0.0000 52145.8531 -108623.7182 299.6829 -160769.5713 -108259.9948 300.4307 10.7056 40.8603 762755.4327 -10.9848 -10.9277 PRESSURE: 212000 159.9 31.0086 66.3571 31.0078 -91.7479 -53.2353 66.357 -53.2345 261.905 GPRESSURE: 212000 155.002 -47.6817 107.693 46.3834 -76.9948 -77.1273 34.5554 -46.9318 318.739 PRESSAVG: 212000 58.4533 -2.93827 13.4311 -2.93829 -19.8291 28.6971 13.4311 28.6971 -0.898363 GPRESSAVG: 212000 59.0944 -3.89697 11.8967 -1.70438 -20.2774 26.9918 14.7555 27.9333 -0.708103 TIMING: 212000 CPU: 669.419, 0.00316045/step Wall: 669.419, 0.00316045/step, 4.2034 hours remaining, 231.937500 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: 212000 3973.9970 20523.2374 14571.1507 240.4777 -202655.0172 2212.6733 0.0000 0.0000 52158.2317 -108975.2493 299.7541 -161133.4810 -108607.0990 299.8449 110.0189 132.2485 760946.4285 12.5753 12.7030 PRESSURE: 212200 0.449339 -88.929 -92.2094 -88.9291 173.94 27.5274 -92.2091 27.5276 120.352 GPRESSURE: 212200 67.178 16.5956 -173.79 -140.568 200.116 19.4055 -72.0303 33.5162 116.46 PRESSAVG: 212200 -40.9495 17.9703 33.0098 17.9703 0.581017 -47.1782 33.0099 -47.1783 12.7749 GPRESSAVG: 212200 -40.4075 18.5183 34.0665 16.9035 0.580738 -45.2734 29.9314 -45.9767 12.8196 TIMING: 212200 CPU: 670.051, 0.00315885/step Wall: 670.051, 0.00315885/step, 4.2011 hours remaining, 231.937500 MB of memory in use. ENERGY: 212200 3967.2388 20673.2935 14456.7089 243.4110 -203143.5493 2752.5597 0.0000 0.0000 52041.8055 -109008.5318 299.0850 -161050.3373 -108660.4810 299.8128 98.2472 127.9182 761620.8219 -9.1979 -9.0024 LDB: ============= START OF LOAD BALANCING ============== 682.582 LDB: ============== END OF LOAD BALANCING =============== 682.582 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 682.584 LDB: ============= START OF LOAD BALANCING ============== 682.904 LDB: Largest compute 7060 load 0.030791 is 15.8% of average load 0.195076 LDB: Average compute 0.004385 is 2.2% of average load 0.195076 LDB: TIME 682.908 LOAD: AVG 0.195076 MAX 0.214779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.789 MB LDB: TIME 682.908 LOAD: AVG 0.195076 MAX 0.214779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: TIME 682.908 LOAD: AVG 0.195076 MAX 0.214779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.992 MB LDB: ============== END OF LOAD BALANCING =============== 682.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 682.915 PRESSURE: 212400 -53.3142 108.878 175.949 108.879 -340.586 7.77924 175.949 7.78017 -35.6566 GPRESSURE: 212400 -93.9692 81.2392 41.7119 4.11614 -252.203 -13.3253 292.809 -9.59791 -11.7506 PRESSAVG: 212400 54.2724 -17.0963 34.0433 -17.0962 -58.2647 47.44 34.0432 47.44 9.75295 GPRESSAVG: 212400 54.8549 -17.2086 33.413 -15.9501 -59.3265 47.4811 35.3423 46.6078 10.2059 TIMING: 212400 CPU: 670.698, 0.00323482/step Wall: 670.698, 0.00323482/step, 4.30195 hours remaining, 233.046875 MB of memory in use. ENERGY: 212400 4076.1403 20674.8772 14436.8283 247.7001 -203357.1677 2721.9320 0.0000 0.0000 52143.3846 -109056.3052 299.6687 -161199.6898 -108702.4414 299.9035 -143.1856 -119.3077 762749.0450 1.9202 1.9114 PRESSURE: 212600 -26.0554 166.969 38.1705 166.969 -88.1904 174.028 38.1705 174.028 103.486 GPRESSURE: 212600 24.1369 163.15 -56.2089 119.808 -31.4594 131.027 -3.96025 91.8861 80.2284 PRESSAVG: 212600 14.191 0.221742 50.9868 0.221793 -14.7165 24.4468 50.9868 24.4468 8.09877 GPRESSAVG: 212600 12.7273 0.779581 50.723 -1.42691 -12.4198 23.1685 50.1328 23.8777 6.88383 TIMING: 212600 CPU: 671.332, 0.00316783/step Wall: 671.332, 0.00316783/step, 4.21268 hours remaining, 233.046875 MB of memory in use. ENERGY: 212600 4120.9003 20501.7100 14451.3266 237.9568 -203408.1101 2695.3232 0.0000 0.0000 52271.6785 -109129.2145 300.4061 -161400.8930 -108756.3361 300.0471 -3.5865 24.3020 761121.0039 2.5244 2.3971 PRESSURE: 212800 20.9499 -173.211 -98.8504 -173.211 -92.2216 4.49714 -98.8514 4.49913 -99.8376 GPRESSURE: 212800 154.61 -74.027 -31.3694 -185.654 -123.44 -5.75973 -28.9684 -60.0602 -89.0363 PRESSAVG: 212800 35.0851 -28.8835 -19.8418 -28.8836 5.30155 -23.5109 -19.8418 -23.5108 4.43336 GPRESSAVG: 212800 36.3781 -28.1001 -20.0151 -27.3186 4.24802 -23.1657 -18.1639 -24.3832 4.90953 TIMING: 212800 CPU: 671.957, 0.0031281/step Wall: 671.957, 0.0031281/step, 4.15968 hours remaining, 233.046875 MB of memory in use. ENERGY: 212800 4034.8076 20452.8307 14548.4560 243.3938 -203487.4099 3039.1107 0.0000 0.0000 52175.7377 -108993.0734 299.8547 -161168.8110 -108632.5800 299.4209 -57.0364 -19.2886 763178.8857 14.9400 15.1785 PRESSURE: 213000 5.71048 -208.408 -112.865 -208.407 -162.985 -326.23 -112.865 -326.23 -199.324 GPRESSURE: 213000 3.87726 -202.776 -132.079 -322.173 -92.9544 -305.055 -202.72 -182.02 -178.643 PRESSAVG: 213000 3.32886 19.9727 -5.35437 19.9727 -9.77564 -32.7526 -5.35438 -32.7525 -5.54226 GPRESSAVG: 213000 2.86647 20.7431 -4.07052 17.6615 -9.74548 -32.2571 -8.71435 -31.6727 -4.94332 TIMING: 213000 CPU: 672.584, 0.00313525/step Wall: 672.584, 0.00313525/step, 4.16901 hours remaining, 233.250000 MB of memory in use. ENERGY: 213000 3965.8671 20669.6168 14487.3089 240.0805 -202792.8630 2436.1899 0.0000 0.0000 52281.7125 -108712.0874 300.4637 -160993.7999 -108345.4420 300.0851 -118.8660 -89.2400 762821.7191 -3.9963 -3.9408 PRESSURE: 213200 -411.138 -217.465 -36.508 -217.466 29.752 -64.7884 -36.5074 -64.7906 -198.108 GPRESSURE: 213200 -287.42 -251.773 -79.6991 -217.388 43.4392 -180.3 56.2473 -12.2341 -240.255 PRESSAVG: 213200 9.56379 -18.7959 19.1743 -18.7959 -11.0861 -12.5464 19.1743 -12.5465 6.22381 GPRESSAVG: 213200 9.99526 -19.8679 18.4745 -16.8977 -10.6338 -12.7291 23.6327 -13.509 5.18846 TIMING: 213200 CPU: 673.213, 0.00314373/step Wall: 673.213, 0.00314373/step, 4.18011 hours remaining, 233.250000 MB of memory in use. ENERGY: 213200 3968.5975 20491.3352 14473.1205 269.3411 -202789.5482 2487.4051 0.0000 0.0000 52293.6490 -108806.0999 300.5323 -161099.7488 -108438.9217 299.5584 -193.1646 -161.4120 763217.5350 1.5672 1.5166 PRESSURE: 213400 351.622 -51.4335 61.98 -51.4331 50.3925 242.584 61.9806 242.584 57.7448 GPRESSURE: 213400 329.812 -196.301 -7.07178 -53.0943 144.571 234.794 78.9589 221.094 84.9216 PRESSAVG: 213400 -17.3391 6.03577 21.4759 6.03578 17.9958 9.8863 21.4759 9.88627 14.2686 GPRESSAVG: 213400 -18.162 3.35386 22.1698 6.09112 17.7732 10.6792 20.8524 11.1542 15.8151 TIMING: 213400 CPU: 673.845, 0.00315956/step Wall: 673.845, 0.00315956/step, 4.20098 hours remaining, 233.250000 MB of memory in use. ENERGY: 213400 4048.1128 20610.4639 14465.2385 236.8099 -202813.0568 2712.9287 0.0000 0.0000 52066.7792 -108672.7238 299.2285 -160739.5030 -108308.0639 299.9830 153.2532 186.4348 762159.1859 4.9751 5.1421 PRESSURE: 213600 -104.815 175.47 -188.788 175.468 46.7596 -162.185 -188.788 -162.184 -64.2637 GPRESSURE: 213600 -26.1178 116.139 -149.293 122.307 68.9534 -138.075 -159.673 -179.561 -83.7735 PRESSAVG: 213600 8.20053 -46.613 13.5526 -46.6129 -22.5058 11.1792 13.5526 11.1792 -8.59233 GPRESSAVG: 213600 9.14273 -43.6934 11.6609 -46.7188 -21.6431 11.6802 11.6316 10.6498 -10.31 TIMING: 213600 CPU: 674.471, 0.00312932/step Wall: 674.471, 0.00312932/step, 4.16061 hours remaining, 233.250000 MB of memory in use. ENERGY: 213600 4049.2524 20495.6477 14475.8015 246.1623 -202712.3246 2606.1059 0.0000 0.0000 52084.8490 -108754.5058 299.3323 -160839.3548 -108383.8225 299.7342 -40.7729 -13.6460 762561.8105 -7.6325 -7.6035 PRESSURE: 213800 147.332 27.2339 -112.138 27.2335 -167.352 213.822 -112.138 213.821 -38.3364 GPRESSURE: 213800 256.261 5.02536 -87.0901 -40.5472 -182.724 254.832 -8.91795 260.993 -49.45 PRESSAVG: 213800 -17.1433 23.5349 22.2482 23.5348 16.9612 48.131 22.2482 48.131 -14.1458 GPRESSAVG: 213800 -16.7821 23.7683 22.6636 23.4771 14.9079 46.3881 21.2339 48.8878 -13.206 TIMING: 213800 CPU: 675.097, 0.00313178/step Wall: 675.097, 0.00313178/step, 4.1637 hours remaining, 233.250000 MB of memory in use. ENERGY: 213800 3985.0572 20525.4583 14510.4105 238.1263 -202849.5010 2588.3867 0.0000 0.0000 52122.5746 -108879.4874 299.5492 -161002.0620 -108505.5487 300.1699 -19.4519 8.0291 763146.1516 -4.7760 -5.0268 PRESSURE: 214000 -28.6649 100.766 -123.457 100.766 62.1584 21.2067 -123.458 21.206 19.5875 GPRESSURE: 214000 184.316 45.4229 -123.49 64.682 40.8793 15.012 -191.063 15.5273 -79.8117 PRESSAVG: 214000 9.78933 -10.0668 17.0496 -10.0668 -35.8399 -39.0149 17.0497 -39.0149 -11.1521 GPRESSAVG: 214000 9.79642 -12.1943 18.3291 -10.2286 -35.9672 -40.5516 18.9219 -40.2889 -10.5599 TIMING: 214000 CPU: 675.726, 0.00314163/step Wall: 675.726, 0.00314163/step, 4.17662 hours remaining, 233.250000 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: 214000 4063.9517 20460.9511 14451.8049 248.8068 -202907.1681 2575.6599 0.0000 0.0000 52071.4466 -109034.5470 299.2553 -161105.9936 -108667.5758 299.8367 17.6937 48.4611 760075.6810 -12.4009 -12.2436 PRESSURE: 214200 -64.7971 -33.0208 245.587 -33.0205 240.894 125.269 245.587 125.271 -507.168 GPRESSURE: 214200 -63.5397 117.985 220.779 64.0254 343.658 156.652 389.486 -28.8817 -520.581 PRESSAVG: 214200 31.4498 3.53673 -35.5303 3.53677 -15.4271 10.1577 -35.5303 10.1577 -14.869 GPRESSAVG: 214200 30.8759 5.31161 -37.2797 2.49276 -14.5021 11.0101 -34.8702 9.73973 -15.7394 TIMING: 214200 CPU: 676.359, 0.00316799/step Wall: 676.359, 0.00316798/step, 4.21148 hours remaining, 233.250000 MB of memory in use. ENERGY: 214200 4033.7349 20478.6678 14441.6646 251.8058 -203086.1477 2679.2251 0.0000 0.0000 52063.6222 -109137.4274 299.2104 -161201.0496 -108775.9602 299.7681 -110.3569 -80.1543 760237.1187 0.3845 0.2115 PRESSURE: 214400 -149.251 -84.1906 64.5977 -84.1902 -243.448 15.7165 64.5966 15.7169 -213.736 GPRESSURE: 214400 -239.803 -125.707 78.24 -125.772 -104.019 -117.151 27.9515 110.622 -145.446 PRESSAVG: 214400 30.1363 -10.431 108.775 -10.431 -27.3251 8.51417 108.775 8.51422 -21.5995 GPRESSAVG: 214400 28.7339 -7.93104 108.506 -10.8919 -26.8046 9.90328 106.543 10.5359 -21.242 TIMING: 214400 CPU: 676.991, 0.00316093/step Wall: 676.991, 0.00316093/step, 4.20193 hours remaining, 233.250000 MB of memory in use. ENERGY: 214400 4006.4627 20360.1542 14456.2770 260.1688 -203325.6032 2601.6542 0.0000 0.0000 52321.8072 -109319.0791 300.6941 -161640.8864 -108953.2015 299.0399 -202.1450 -163.0894 760880.2426 -6.2628 -6.4376 PRESSURE: 214600 -279.505 84.4336 108.96 84.4343 -305.035 -117.214 108.96 -117.214 98.615 GPRESSURE: 214600 -165.435 120.936 95.0402 119.924 -314.074 -7.86848 33.605 -144.892 93.0082 PRESSAVG: 214600 -29.2715 20.3604 46.2187 20.3604 16.8036 22.7144 46.2187 22.7143 5.47464 GPRESSAVG: 214600 -29.1791 18.0608 48.1686 18.9381 16.9829 21.589 46.6198 23.137 5.09957 TIMING: 214600 CPU: 677.624, 0.0031653/step Wall: 677.624, 0.0031653/step, 4.20756 hours remaining, 233.250000 MB of memory in use. ENERGY: 214600 3992.4169 20569.7461 14430.8649 234.5604 -202971.4879 2456.2908 0.0000 0.0000 52180.5251 -109107.0838 299.8822 -161287.6089 -108756.4424 299.3922 -161.9753 -128.8335 762366.5647 -2.3311 -2.3656 PRESSURE: 214800 -258.01 -223.749 -52.122 -223.749 -10.8491 11.4323 -52.1218 11.4336 179.568 GPRESSURE: 214800 -152.539 -195.256 -50.2533 -313.53 18.7006 26.1566 -58.6849 10.6658 109.592 PRESSAVG: 214800 -44.4243 -15.6253 19.9289 -15.6254 20.7553 -6.22555 19.9288 -6.22556 -19.9408 GPRESSAVG: 214800 -42.6924 -16.2919 18.5469 -12.4166 20.8527 -5.10651 19.989 -8.31883 -21.2076 TIMING: 214800 CPU: 678.254, 0.00314718/step Wall: 678.254, 0.00314718/step, 4.18331 hours remaining, 233.250000 MB of memory in use. ENERGY: 214800 3992.5896 20656.5376 14451.2358 244.0910 -202602.9288 2507.9839 0.0000 0.0000 52004.7441 -108745.7468 298.8720 -160750.4909 -108396.5140 299.6696 -29.7637 -8.0821 764267.4849 -14.5366 -14.3491 PRESSURE: 215000 -94.0417 73.2619 104.599 73.2618 -67.0948 184.521 104.599 184.521 300.874 GPRESSURE: 215000 -6.92278 135.241 13.3031 -27.7498 -57.5563 165.146 77.9694 215.076 273.573 PRESSAVG: 215000 12.2842 -3.60012 12.4964 -3.60006 -60.1587 21.4683 12.4964 21.4682 21.2196 GPRESSAVG: 215000 12.6961 -2.33477 14.2005 -5.09214 -60.0913 20.631 10.7384 21.4951 20.7322 TIMING: 215000 CPU: 678.885, 0.00315403/step Wall: 678.885, 0.00315403/step, 4.19223 hours remaining, 233.250000 MB of memory in use. ENERGY: 215000 3925.7829 20584.7800 14490.4058 250.4133 -203337.9116 2686.8491 0.0000 0.0000 52573.5391 -108826.1415 302.1409 -161399.6805 -108462.7691 299.9937 46.5792 69.6980 763626.5998 -8.8850 -8.8877 PRESSURE: 215200 35.0685 -64.2797 -99.2771 -64.2806 -36.5291 -52.5027 -99.2771 -52.5024 -35.2779 GPRESSURE: 215200 42.6077 -61.3289 -106.677 45.3224 30.5846 -52.0901 -59.6547 -17.687 -24.3763 PRESSAVG: 215200 33.1185 19.0584 10.2098 19.0583 -38.2408 17.2064 10.2098 17.2064 8.02769 GPRESSAVG: 215200 32.3922 18.0698 9.00225 18.9566 -37.2204 18.1276 12.3364 17.1935 8.12226 TIMING: 215200 CPU: 679.515, 0.00315187/step Wall: 679.515, 0.00315187/step, 4.18919 hours remaining, 233.250000 MB of memory in use. ENERGY: 215200 4029.9254 20692.4709 14495.8317 243.1604 -202926.7951 2631.8705 0.0000 0.0000 52161.1284 -108672.4078 299.7707 -160833.5362 -108302.2641 300.2840 -12.2461 16.2720 762599.7337 0.9685 1.0980 PRESSURE: 215400 -22.7623 140.861 0.291119 140.861 261.778 130.838 0.289835 130.838 -189.758 GPRESSURE: 215400 -51.3378 151.36 48.42 53.6978 320.588 33.7263 100.666 84.0288 -123.335 PRESSAVG: 215400 -25.4716 -62.0524 22.1895 -62.0525 1.71714 48.0904 22.1895 48.0904 -10.2899 GPRESSAVG: 215400 -26.1566 -60.3721 21.6375 -63.6619 1.33485 47.3476 23.5272 47.6851 -9.64173 TIMING: 215400 CPU: 680.149, 0.00316732/step Wall: 680.149, 0.00316732/step, 4.20954 hours remaining, 233.250000 MB of memory in use. ENERGY: 215400 4024.8866 20622.1540 14515.7819 256.4901 -203111.3894 2736.0159 0.0000 0.0000 52284.4824 -108671.5785 300.4796 -160956.0609 -108308.3064 299.7781 16.4191 48.6382 763866.4735 -11.3482 -11.4878 PRESSURE: 215600 -251.81 -166.62 -156.014 -166.619 -45.8277 30.2978 -156.014 30.298 220.789 GPRESSURE: 215600 -286.171 -125.109 -73.5054 -235.289 64.2966 70.3869 -182.078 -3.44121 231.548 PRESSAVG: 215600 3.92265 -41.908 38.5001 -41.9079 -23.3144 -24.8209 38.5001 -24.821 -10.1261 GPRESSAVG: 215600 4.36876 -44.4761 39.3816 -38.763 -23.0154 -26.4267 37.676 -22.7293 -10.2816 TIMING: 215600 CPU: 680.785, 0.00317985/step Wall: 680.785, 0.00317985/step, 4.22602 hours remaining, 233.250000 MB of memory in use. ENERGY: 215600 3998.3724 20667.1354 14367.3296 243.2365 -202587.4056 2540.4456 0.0000 0.0000 52146.3706 -108624.5155 299.6859 -160770.8861 -108255.6474 300.4926 -25.6160 3.2246 764901.0816 -9.8393 -9.6427 PRESSURE: 215800 -248.864 -158.578 -178.086 -158.578 -338.676 -123.137 -178.086 -123.137 -31.204 GPRESSURE: 215800 -271.358 -181.516 -124.785 -125.266 -262.32 -101.72 -296.988 -99.5807 -7.70399 PRESSAVG: 215800 40.6016 -31.5181 -4.55098 -31.5182 -49.6442 20.978 -4.551 20.978 -8.0842 GPRESSAVG: 215800 40.6363 -31.6336 -5.17201 -31.4158 -50.3281 24.7069 -4.2822 19.1587 -7.85118 TIMING: 215800 CPU: 681.418, 0.00316887/step Wall: 681.418, 0.00316887/step, 4.21125 hours remaining, 233.250000 MB of memory in use. ENERGY: 215800 4039.0185 20389.7044 14422.0981 262.2613 -202689.1484 2709.8949 0.0000 0.0000 52336.1040 -108530.0672 300.7763 -160866.1711 -108159.7388 300.4616 -206.2480 -180.4607 765811.2193 -5.7089 -5.8477 PRESSURE: 216000 308.264 -24.5972 -152.365 -24.5967 373.376 -250.026 -152.366 -250.025 210.208 GPRESSURE: 216000 320.386 -114.375 -151.549 22.6671 349.091 -172.895 -231.617 -269.901 303.552 PRESSAVG: 216000 56.3642 -20.4427 24.4611 -20.4427 -68.6673 3.3905 24.4612 3.39063 5.03286 GPRESSAVG: 216000 55.0454 -18.9779 25.0084 -22.6875 -68.0709 2.70823 25.2067 4.30922 5.84408 TIMING: 216000 CPU: 682.049, 0.00315339/step Wall: 682.049, 0.00315339/step, 4.19051 hours remaining, 233.250000 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: 216000 3963.2715 20641.0556 14422.5938 271.2929 -203620.5022 3249.2037 0.0000 0.0000 52182.3069 -108890.7777 299.8924 -161073.0846 -108532.0051 300.2134 297.2825 324.3431 764007.4183 -2.4234 -2.3938 PRESSURE: 216200 299.439 37.2653 146.862 37.2648 -91.7675 137.927 146.862 137.927 218.52 GPRESSURE: 216200 358.221 24.4379 82.9275 -7.43393 -8.85336 211.76 82.3927 30.7429 170.735 PRESSAVG: 216200 101.98 -38.4986 26.851 -38.4986 -53.8947 -13.2947 26.8511 -13.2946 -11.29 GPRESSAVG: 216200 102.002 -39.1523 26.8931 -37.6658 -54.0023 -14.9508 23.888 -14.1491 -10.9461 TIMING: 216200 CPU: 682.682, 0.0031639/step Wall: 682.682, 0.0031639/step, 4.20429 hours remaining, 233.250000 MB of memory in use. ENERGY: 216200 4062.7012 20481.6690 14444.7822 257.9493 -202968.3356 2772.3433 0.0000 0.0000 52294.2612 -108654.6294 300.5358 -160948.8906 -108281.6203 300.0653 142.0640 173.3676 763255.3457 12.2652 12.3510 LDB: ============= START OF LOAD BALANCING ============== 695.213 LDB: ============== END OF LOAD BALANCING =============== 695.214 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 695.215 LDB: ============= START OF LOAD BALANCING ============== 695.529 LDB: Largest compute 7077 load 0.029946 is 15.4% of average load 0.195062 LDB: Average compute 0.004375 is 2.2% of average load 0.195062 LDB: TIME 695.532 LOAD: AVG 0.195062 MAX 0.212538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.508 MB LDB: TIME 695.533 LOAD: AVG 0.195062 MAX 0.212538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.508 MB LDB: TIME 695.533 LOAD: AVG 0.195062 MAX 0.212538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.508 MB LDB: ============== END OF LOAD BALANCING =============== 695.535 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 695.539 PRESSURE: 216400 185.74 -89.0032 -34.89 -89.0039 -35.731 -126.05 -34.8896 -126.05 101.97 GPRESSURE: 216400 227.817 -108.47 -12.5069 -32.0127 -33.8875 -93.9125 -131.607 -78.5818 138.459 PRESSAVG: 216400 34.405 -57.5304 -16.1036 -57.5304 -24.5254 -30.8042 -16.1036 -30.804 8.68887 GPRESSAVG: 216400 35.3653 -58.4785 -16.4641 -59.0541 -24.2666 -30.1465 -15.7884 -28.925 7.68683 TIMING: 216400 CPU: 683.323, 0.00320559/step Wall: 683.323, 0.00320559/step, 4.25951 hours remaining, 231.507812 MB of memory in use. ENERGY: 216400 3952.8346 20588.6668 14478.7213 244.8305 -203043.0722 2867.1744 0.0000 0.0000 52044.0238 -108866.8207 299.0977 -160910.8445 -108503.9963 300.2786 83.9932 110.7963 763096.4033 6.1895 6.2618 PRESSURE: 216600 -206.142 -23.4863 115.266 -23.4866 -25.6803 107.665 115.266 107.665 46.0672 GPRESSURE: 216600 -138.129 -89.2952 65.1 119.183 -15.6713 159.436 -36.2083 1.68668 51.6375 PRESSAVG: 216600 73.1016 -57.4007 14.6677 -57.4007 -19.79 6.35983 14.6677 6.35981 -17.952 GPRESSAVG: 216600 72.9482 -57.0804 13.9611 -55.8366 -18.7798 5.15914 14.2338 5.51457 -18.9539 TIMING: 216600 CPU: 683.949, 0.00313055/step Wall: 683.949, 0.00313055/step, 4.15963 hours remaining, 231.507812 MB of memory in use. ENERGY: 216600 4023.8387 20710.2301 14467.4281 255.1599 -202848.4849 2667.6952 0.0000 0.0000 52209.7419 -108514.3910 300.0501 -160724.1329 -108156.6961 300.1054 -61.9182 -34.0543 764726.9194 11.7865 11.7382 PRESSURE: 216800 -390.993 25.5912 185.243 25.5915 -393.376 295.326 185.242 295.326 -68.4676 GPRESSURE: 216800 -313.067 0.257271 232.202 109.224 -356.189 217.77 83.4618 247.29 -99.5002 PRESSAVG: 216800 20.5572 -17.1589 23.6548 -17.159 -53.1239 4.70045 23.6547 4.70043 -0.0404419 GPRESSAVG: 216800 20.6218 -15.5612 25.4831 -17.7114 -53.1101 3.87932 23.4055 4.49284 -0.411973 TIMING: 216800 CPU: 684.582, 0.00316737/step Wall: 684.582, 0.00316737/step, 4.20838 hours remaining, 231.507812 MB of memory in use. ENERGY: 216800 3975.3464 20498.9156 14483.8683 237.3342 -202889.5228 2650.5718 0.0000 0.0000 52384.0370 -108659.4496 301.0518 -161043.4866 -108293.5629 300.7632 -284.2787 -256.2519 765283.6545 -10.8691 -10.9668 PRESSURE: 217000 -145.99 -27.369 -185.338 -27.3687 -170.338 -140.147 -185.338 -140.148 -77.1649 GPRESSURE: 217000 -92.1796 -85.0206 -114.275 -21.3582 -161.158 -32.4777 -88.0108 -127.017 -60.8592 PRESSAVG: 217000 19.7194 47.2885 -27.3843 47.2885 1.87618 1.59717 -27.3842 1.59714 29.5949 GPRESSAVG: 217000 18.1195 47.7939 -27.931 45.5161 1.53413 3.54906 -27.2386 0.922628 31.7566 TIMING: 217000 CPU: 685.218, 0.00317774/step Wall: 685.218, 0.00317774/step, 4.22199 hours remaining, 231.507812 MB of memory in use. ENERGY: 217000 4048.0090 20513.0141 14529.8119 248.2167 -203208.1794 3067.6090 0.0000 0.0000 52164.5146 -108637.0041 299.7902 -160801.5187 -108271.8976 300.0204 -131.1644 -104.7321 765595.0702 17.0635 17.1368 PRESSURE: 217200 -118.267 145.02 -54.7653 145.021 123.823 176.426 -54.7659 176.426 99.6423 GPRESSURE: 217200 -183.835 128.821 8.09121 221.079 155.816 57.3069 -201.77 201.146 227.242 PRESSAVG: 217200 -70.7194 35.9748 64.4811 35.9748 51.1569 10.9941 64.4811 10.9941 -0.193794 GPRESSAVG: 217200 -69.9949 34.1944 64.5388 36.4161 51.1622 11.2096 65.6147 10.0551 -0.762937 TIMING: 217200 CPU: 685.851, 0.00316556/step Wall: 685.851, 0.00316556/step, 4.20562 hours remaining, 231.507812 MB of memory in use. ENERGY: 217200 3940.3718 20495.6695 14475.3311 262.5364 -203358.3828 2993.3825 0.0000 0.0000 52394.0141 -108797.0774 301.1091 -161191.0915 -108433.2988 300.1397 35.0663 66.4075 765490.1928 -6.5854 -6.5319 PRESSURE: 217400 112.49 4.8261 243.271 4.82656 -197.465 -40.7161 243.271 -40.7173 -10.819 GPRESSURE: 217400 162.527 -68.4667 229.228 44.7176 -138.358 -39.5838 232.179 -15.9588 -37.5936 PRESSAVG: 217400 -37.7178 -13.9256 -6.71961 -13.9255 44.4488 -15.9872 -6.71958 -15.9872 8.14002 GPRESSAVG: 217400 -36.9692 -12.9475 -6.30239 -13.0094 43.2151 -15.9351 -6.8847 -14.5553 8.77532 TIMING: 217400 CPU: 686.488, 0.00318638/step Wall: 686.488, 0.00318638/step, 4.2331 hours remaining, 231.507812 MB of memory in use. ENERGY: 217400 4027.3837 20726.6166 14457.0623 270.9360 -203613.5245 2985.1370 0.0000 0.0000 52301.1284 -108845.2605 300.5753 -161146.3890 -108483.1827 299.8980 -31.9314 -4.4748 763080.0279 4.9570 5.0071 PRESSURE: 217600 -110.025 57.5235 -258.541 57.5237 -270.534 -5.04184 -258.542 -5.04164 -124.103 GPRESSURE: 217600 -45.2282 42.2219 -246.015 90.503 -236.927 45.1405 -242.706 12.0096 -137 PRESSAVG: 217600 3.86778 5.10994 11.9776 5.10998 -0.449774 -1.1638 11.9777 -1.16394 10.4491 GPRESSAVG: 217600 4.12182 5.58786 11.7018 4.13292 1.12038 -2.14797 12.3116 -2.58733 8.44385 TIMING: 217600 CPU: 687.122, 0.0031667/step Wall: 687.122, 0.0031667/step, 4.20678 hours remaining, 231.507812 MB of memory in use. ENERGY: 217600 4060.1964 20500.2333 14527.1192 249.1608 -202723.0188 2532.8039 0.0000 0.0000 51998.7337 -108854.7714 298.8374 -160853.5051 -108488.4062 299.7210 -168.2209 -139.7185 763672.7234 4.6224 4.5620 PRESSURE: 217800 519.842 -84.6162 -76.9117 -84.6163 47.9854 155.506 -76.9111 155.507 -539.844 GPRESSURE: 217800 507.514 -66.6066 -131.975 -104.582 175.591 210.328 -38.7965 173.374 -568.002 PRESSAVG: 217800 -51.3422 -53.767 13.7962 -53.767 57.3236 61.5703 13.7962 61.5704 -18.2715 GPRESSAVG: 217800 -52.2782 -54.795 12.6625 -53.3751 56.7584 62.2421 15.6728 63.6459 -16.4616 TIMING: 217800 CPU: 687.756, 0.00317041/step Wall: 687.756, 0.00317041/step, 4.21153 hours remaining, 231.507812 MB of memory in use. ENERGY: 217800 3929.6983 20492.7974 14535.0422 232.8329 -203259.9370 2920.0571 0.0000 0.0000 52187.7220 -108961.7870 299.9236 -161149.5090 -108590.6845 299.6465 9.3278 38.3681 763433.6199 -4.0967 -3.9938 PRESSURE: 218000 -46.4897 -309.991 18.9255 -309.991 -93.1247 -196.366 18.9264 -196.367 572.966 GPRESSURE: 218000 -17.5931 -257.658 79.9325 -167.529 -17.1134 -179.593 0.71054 -277.78 551.567 PRESSAVG: 218000 -9.68693 -17.5632 -12.4472 -17.5631 16.0375 9.90769 -12.4472 9.90777 14.0919 GPRESSAVG: 218000 -9.59013 -17.008 -12.0766 -16.7486 16.6642 8.24398 -14.7526 9.99493 13.5298 TIMING: 218000 CPU: 688.387, 0.0031558/step Wall: 688.387, 0.0031558/step, 4.19195 hours remaining, 231.507812 MB of memory 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 4013.5877 20470.4174 14369.0497 254.6228 -203334.5350 3012.6955 0.0000 0.0000 52065.8942 -109148.2676 299.2234 -161214.1618 -108798.6664 299.3607 144.4504 172.2868 762872.5289 6.8141 6.8680 PRESSURE: 218200 -210.474 -155.853 -157.399 -155.853 235.99 288.885 -157.399 288.886 336.979 GPRESSURE: 218200 -124.474 -86.0364 -81.3078 -195.513 200.073 317.036 -92.3059 289.503 371.056 PRESSAVG: 218200 -59.786 -45.7116 -39.3045 -45.7116 67.4972 -15.2104 -39.3045 -15.2104 8.12059 GPRESSAVG: 218200 -58.7792 -47.3955 -38.58 -46.0718 65.5413 -14.1306 -38.6763 -16.1458 8.86092 TIMING: 218200 CPU: 689.021, 0.00316853/step Wall: 689.021, 0.00316853/step, 4.20869 hours remaining, 231.507812 MB of memory in use. ENERGY: 218200 4030.8713 20422.9017 14419.7409 267.9989 -203108.6104 2724.1540 0.0000 0.0000 51930.8798 -109312.0639 298.4475 -161242.9437 -108958.1207 298.8278 120.8317 148.8851 762848.3015 5.2773 5.2077 PRESSURE: 218400 121.95 68.4234 -71.4357 68.4233 253.442 -97.7958 -71.4352 -97.7957 -346.25 GPRESSURE: 218400 169.95 31.3772 29.497 114.307 204.737 -98.8142 -5.16666 -196.312 -268.811 PRESSAVG: 218400 20.9901 -33.7398 -39.0165 -33.7398 10.7116 24.2142 -39.0165 24.2141 17.2884 GPRESSAVG: 218400 19.9401 -32.7941 -36.9242 -35.8251 10.8184 24.8988 -38.9582 22.0776 17.7505 TIMING: 218400 CPU: 689.662, 0.00320823/step Wall: 689.662, 0.00320823/step, 4.26124 hours remaining, 231.507812 MB of memory in use. ENERGY: 218400 3968.2334 20416.3791 14463.4322 239.9825 -203490.3856 2891.5241 0.0000 0.0000 52185.1545 -109325.6797 299.9088 -161510.8342 -108957.2776 298.8107 9.7141 35.2920 762927.8754 16.3300 16.1697 PRESSURE: 218600 -214.573 -110.072 -73.22 -110.072 81.0094 -34.8015 -73.2198 -34.8011 5.6073 GPRESSURE: 218600 -248.21 -66.2677 -50.9246 -130.158 102.303 -73.3861 57.6714 -104.044 88.3191 PRESSAVG: 218600 -55.5651 -30.8999 -36.5383 -30.8999 78.6445 2.85946 -36.5383 2.85938 -9.11795 GPRESSAVG: 218600 -56.561 -29.8349 -38.0818 -30.1698 80.1759 0.521607 -36.6178 5.43902 -10.128 TIMING: 218600 CPU: 690.298, 0.00317703/step Wall: 690.298, 0.00317703/step, 4.21962 hours remaining, 231.507812 MB of memory in use. ENERGY: 218600 4084.2285 20306.0417 14476.1555 246.5029 -203773.9722 2862.4221 0.0000 0.0000 52303.8725 -109494.7490 300.5911 -161798.6215 -109131.5539 298.5773 -42.6523 -19.1962 762932.2715 4.6538 4.4956 PRESSURE: 218800 -226.828 -99.3161 -126.295 -99.3163 -306.463 167.699 -126.294 167.698 276.167 GPRESSURE: 218800 -51.7049 -110.311 -165.56 -68.2729 -359.419 177.78 -115.812 153.611 249.196 PRESSAVG: 218800 12.405 11.1242 -37.3912 11.1242 52.6215 1.2794 -37.3912 1.2794 -11.535 GPRESSAVG: 218800 14.2423 9.99958 -37.5373 10.2523 51.8577 1.45237 -36.7739 0.67703 -12.608 TIMING: 218800 CPU: 690.934, 0.00318344/step Wall: 690.934, 0.00318344/step, 4.22796 hours remaining, 231.507812 MB of memory in use. ENERGY: 218800 3950.2561 20334.9176 14543.9571 258.4054 -202769.4857 2367.1811 0.0000 0.0000 51866.5964 -109448.1720 298.0780 -161314.7685 -109089.5076 298.4445 -85.7077 -53.9757 762965.4450 17.8305 17.8307 PRESSURE: 219000 -215.288 -30.0721 215.944 -30.0721 -193.006 -38.8657 215.944 -38.8658 195.54 GPRESSURE: 219000 -95.6822 -28.4084 148.09 51.3634 -155.179 96.915 279.288 -2.52492 138.595 PRESSAVG: 219000 0.639061 -14.9835 18.576 -14.9835 -40.7828 5.83091 18.576 5.83095 17.6302 GPRESSAVG: 219000 -0.355527 -17.2621 19.4431 -12.2484 -40.1458 6.38558 18.6138 6.46197 18.1106 TIMING: 219000 CPU: 691.566, 0.00315565/step Wall: 691.566, 0.00315565/step, 4.19088 hours remaining, 231.507812 MB of memory in use. ENERGY: 219000 3969.6308 20553.6462 14407.7013 259.9297 -203413.8137 2610.0970 0.0000 0.0000 52073.7513 -109539.0574 299.2686 -161612.8087 -109179.1387 298.5121 -70.9180 -37.4219 761933.8127 -7.5045 -7.4636 PRESSURE: 219200 -180.596 -144.278 46.6674 -144.278 -262.295 28.2302 46.6669 28.2298 -474.657 GPRESSURE: 219200 -118.261 -122.574 117.143 -181.108 -260.849 1.49274 73.6782 84.3285 -448.434 PRESSAVG: 219200 -76.0499 -21.0201 23.3873 -21.0201 72.3753 46.2111 23.3873 46.2111 2.30792 GPRESSAVG: 219200 -75.4432 -20.5624 22.8041 -23.3381 71.3549 47.0158 23.673 45.3746 2.22628 TIMING: 219200 CPU: 692.193, 0.00313772/step Wall: 692.193, 0.00313772/step, 4.1669 hours remaining, 231.507812 MB of memory in use. ENERGY: 219200 3932.8196 20537.7750 14435.7014 247.9951 -203121.1710 2318.7031 0.0000 0.0000 52056.0983 -109592.0784 299.1671 -161648.1767 -109239.0264 298.5985 -305.8494 -275.8481 763681.8549 -0.4556 -0.6207 PRESSURE: 219400 -430.206 -196.015 66.4 -196.015 -499.61 -80.871 66.3987 -80.8718 -316.63 GPRESSURE: 219400 -374.987 -206.191 25.0288 -188.942 -451.763 -90.7127 -2.7447 -76.1312 -343.357 PRESSAVG: 219400 -38.4658 -43.6961 -21.9953 -43.6962 3.17673 -19.352 -21.9953 -19.352 12.8448 GPRESSAVG: 219400 -38.1014 -42.7101 -21.9334 -40.322 2.69131 -19.5137 -21.8391 -19.4337 12.8262 TIMING: 219400 CPU: 692.828, 0.00317436/step Wall: 692.828, 0.00317436/step, 4.21538 hours remaining, 231.507812 MB of memory in use. ENERGY: 219400 4023.4754 20311.6969 14395.6111 260.7357 -203115.6226 2512.1827 0.0000 0.0000 51960.6897 -109651.2310 298.6188 -161611.9207 -109287.5415 298.1301 -415.4822 -390.0356 764374.7003 -7.4814 -7.5279 PRESSURE: 219600 -158.277 -134.553 -10.6252 -134.553 -206.169 -177.191 -10.6257 -177.19 -162.963 GPRESSURE: 219600 -105.127 -300.694 50.5447 -165.43 -148.963 -164.5 76.229 -248.026 -189.781 PRESSAVG: 219600 0.509813 -96.3472 -17.5713 -96.3472 -41.5482 -15.244 -17.5713 -15.244 6.51612 GPRESSAVG: 219600 -0.630367 -96.0935 -17.3724 -98.2505 -39.7718 -15.0116 -17.3967 -15.1067 6.24159 TIMING: 219600 CPU: 693.466, 0.00319067/step Wall: 693.466, 0.00319067/step, 4.23685 hours remaining, 231.507812 MB of memory in use. ENERGY: 219600 3980.0876 20513.8439 14448.8187 239.7903 -203751.5341 2857.8653 0.0000 0.0000 51931.0809 -109780.0475 298.4486 -161711.1284 -109426.4904 297.9690 -175.8031 -147.9570 763477.4442 -11.5074 -11.3869 PRESSURE: 219800 125.941 48.8076 -89.9684 48.8081 -117.599 410.783 -89.9674 410.783 52.9313 GPRESSURE: 219800 121.323 -118.609 -81.3976 128.683 11.109 374.776 -96.6537 364.077 36.5553 PRESSAVG: 219800 100.931 -41.9743 -19.2836 -41.9742 -9.29505 15.2873 -19.2837 15.2874 -0.324969 GPRESSAVG: 219800 100.085 -42.1267 -18.6392 -42.7506 -9.39242 15.1016 -20.3252 15.4009 0.523396 TIMING: 219800 CPU: 694.097, 0.00315478/step Wall: 694.097, 0.00315478/step, 4.18903 hours remaining, 231.507812 MB of memory in use. ENERGY: 219800 3942.2628 20368.7389 14386.6462 248.1014 -203459.7250 2789.0124 0.0000 0.0000 51901.8142 -109823.1491 298.2804 -161724.9633 -109459.0696 297.7831 20.4245 56.3290 762867.7732 30.4370 30.4055 PRESSURE: 220000 -41.5576 -37.2601 -30.7673 -37.2604 56.355 -120.698 -30.7674 -120.698 -127.307 GPRESSURE: 220000 50.1688 -36.5807 -21.7516 -39.2636 -1.07212 -168.976 56.8151 -88.5521 -80.6524 PRESSAVG: 220000 -16.2223 -70.8742 3.33969 -70.8741 -27.9283 -20.6958 3.33964 -20.6958 -26.4303 GPRESSAVG: 220000 -15.1905 -71.4497 1.00073 -70.4898 -28.1727 -20.0186 4.28895 -21.6889 -26.7347 TIMING: 220000 CPU: 694.73, 0.00316383/step Wall: 694.73, 0.00316383/step, 4.20086 hours remaining, 231.507812 MB of memory 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 3935.0414 20584.8584 14434.9474 245.8188 -203581.9423 2651.8598 0.0000 0.0000 51840.4668 -109888.9497 297.9279 -161729.4165 -109532.2794 297.8181 -37.5032 -10.5186 763751.4785 -23.5270 -23.3660 PRESSURE: 220200 -16.4643 217.779 90.9742 217.779 166.4 -94.6909 90.9748 -94.6902 426.111 GPRESSURE: 220200 -7.27598 156.314 91.6919 239.044 168.69 -23.1352 58.3096 -73.5636 464.743 PRESSAVG: 220200 50.0299 13.2271 21.4338 13.2271 -41.5997 35.5398 21.4338 35.5398 4.98089 GPRESSAVG: 220200 49.1094 12.7253 24.0145 11.4242 -41.7016 33.663 19.3568 37.7812 6.43055 TIMING: 220200 CPU: 695.361, 0.00315417/step Wall: 695.361, 0.00315417/step, 4.18787 hours remaining, 231.507812 MB of memory in use. ENERGY: 220200 3988.9817 20445.6305 14410.2005 238.5155 -203463.2472 2914.5644 0.0000 0.0000 51819.8517 -109645.5029 297.8094 -161465.3546 -109283.5669 297.9259 192.0156 208.7189 762856.0304 4.4704 4.6128 LDB: ============= START OF LOAD BALANCING ============== 707.896 LDB: ============== END OF LOAD BALANCING =============== 707.896 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 707.897 LDB: ============= START OF LOAD BALANCING ============== 708.218 LDB: Largest compute 7031 load 0.033366 is 17.1% of average load 0.195018 LDB: Average compute 0.004361 is 2.2% of average load 0.195018 LDB: TIME 708.221 LOAD: AVG 0.195018 MAX 0.214643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.277 MB LDB: TIME 708.221 LOAD: AVG 0.195018 MAX 0.214643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.277 MB LDB: TIME 708.222 LOAD: AVG 0.195018 MAX 0.214643 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.277 MB LDB: ============== END OF LOAD BALANCING =============== 708.224 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 708.229 PRESSURE: 220400 67.1589 -254.704 -11.632 -254.704 -101.256 76.3984 -11.632 76.3985 -149.94 GPRESSURE: 220400 41.2743 -212.067 48.9159 -131.774 4.61864 141.788 -39.1033 97.1112 -185.23 PRESSAVG: 220400 -1.09861 -73.4886 20.1795 -73.4885 38.0177 -5.83863 20.1795 -5.83856 6.41 GPRESSAVG: 220400 -1.49817 -71.3685 19.8285 -73.8255 38.2839 -5.69846 20.075 -7.42572 6.2145 TIMING: 220400 CPU: 696.012, 0.0032555/step Wall: 696.012, 0.0032555/step, 4.32222 hours remaining, 231.480469 MB of memory in use. ENERGY: 220400 3944.7210 20469.1551 14488.7928 255.9315 -203442.5964 2646.0308 0.0000 0.0000 51976.5959 -109661.3692 298.7102 -161637.9651 -109304.1425 298.6961 -61.3457 -46.4457 761271.1073 14.4430 14.3334 PRESSURE: 220600 -226.706 -108.007 72.5743 -108.006 -216.934 -101.063 72.5734 -101.061 -23.6227 GPRESSURE: 220600 -106.297 -131.471 -46.5198 -102.38 -185.841 -91.8439 30.1156 -127.108 -82.1071 PRESSAVG: 220600 -12.9732 -71.3075 -19.7096 -71.3075 52.2747 -22.1592 -19.7095 -22.1592 4.94479 GPRESSAVG: 220600 -11.0101 -73.3257 -19.6625 -67.424 50.7297 -21.2227 -20.5392 -23.6279 4.27098 TIMING: 220600 CPU: 696.648, 0.00318197/step Wall: 696.648, 0.00318197/step, 4.22441 hours remaining, 231.683594 MB of memory in use. ENERGY: 220600 3966.6280 20558.9756 14518.2387 269.4574 -203196.3322 2491.2192 0.0000 0.0000 51982.9991 -109408.8142 298.7470 -161391.8133 -109039.9546 298.9941 -155.7543 -124.7486 763148.9806 14.7488 14.6635 PRESSURE: 220800 -22.8063 -51.68 -68.4055 -51.6807 -202.189 208.153 -68.4057 208.153 -284.891 GPRESSURE: 220800 -25.5224 -28.4681 -12.157 -101.757 -215.45 218.537 45.3914 329.53 -185.767 PRESSAVG: 220800 16.5218 -53.6204 14.065 -53.6204 -15.5742 49.4248 14.0649 49.4248 -18.8404 GPRESSAVG: 220800 14.4882 -52.9492 12.513 -56.2536 -14.4631 49.4175 15.883 49.9311 -18.2975 TIMING: 220800 CPU: 697.286, 0.00318799/step Wall: 697.286, 0.00318799/step, 4.23223 hours remaining, 231.683594 MB of memory in use. ENERGY: 220800 4004.6736 20567.6380 14497.8598 250.8576 -203280.0930 2408.6351 0.0000 0.0000 52032.3006 -109518.1283 299.0303 -161550.4289 -109153.6087 298.9903 -169.9621 -142.2466 763701.4154 -5.9642 -6.0908 PRESSURE: 221000 -210.969 -173.794 171.082 -173.795 139.489 0.116194 171.082 0.116102 -44.7463 GPRESSURE: 221000 -241.692 -138.016 126.6 -170.444 152.117 -8.64782 117.519 11.9683 36.2112 PRESSAVG: 221000 9.1729 -80.5521 4.84845 -80.5521 2.98313 3.93298 4.84843 3.93314 -8.70249 GPRESSAVG: 221000 10.1675 -80.1101 6.81655 -79.1371 2.08526 4.0022 4.86865 2.76785 -9.42354 TIMING: 221000 CPU: 697.92, 0.00317087/step Wall: 697.92, 0.00317087/step, 4.20934 hours remaining, 231.683594 MB of memory in use. ENERGY: 221000 4016.0123 20570.8934 14481.3855 246.5372 -203535.3311 2660.3389 0.0000 0.0000 52019.9652 -109540.1987 298.9595 -161560.1639 -109181.3575 298.7949 -38.7420 -17.7880 763045.6070 1.1512 0.9431 PRESSURE: 221200 227.932 -0.752707 -119.162 -0.752965 -101.492 -93.0376 -119.162 -93.0369 -76.6461 GPRESSURE: 221200 270.778 -63.5352 -83.4837 30.479 -5.44307 81.6411 -87.4816 -27.0191 -120.308 PRESSAVG: 221200 -34.4384 -30.0293 34.2765 -30.0293 25.7172 19.402 34.2765 19.4019 -8.09298 GPRESSAVG: 221200 -34.4227 -30.6069 33.9326 -32.5692 25.2889 20.9598 32.6746 21.5698 -7.80813 TIMING: 221200 CPU: 698.555, 0.00317355/step Wall: 698.555, 0.00317355/step, 4.21271 hours remaining, 231.683594 MB of memory in use. ENERGY: 221200 4116.5920 20590.6345 14468.0327 236.2414 -203753.8178 2736.7496 0.0000 0.0000 52067.2712 -109538.2964 299.2313 -161605.5676 -109175.1917 299.1691 16.5979 48.3422 761376.7411 -5.6047 -5.6473 PRESSURE: 221400 -30.39 -46.3301 -18.1594 -46.3306 -21.882 -60.7644 -18.1592 -60.7648 148.759 GPRESSURE: 221400 19.6266 -22.2135 35.2824 41.5279 -55.4674 -17.5946 120.303 -25.8841 227.731 PRESSAVG: 221400 20.1657 37.8309 -37.0057 37.8308 -41.2391 -14.9921 -37.0057 -14.992 16.4354 GPRESSAVG: 221400 18.7158 37.2395 -36.7867 40.6969 -41.4209 -17.6733 -37.387 -13.4837 17.9776 TIMING: 221400 CPU: 699.186, 0.00315762/step Wall: 699.186, 0.00315762/step, 4.19139 hours remaining, 231.683594 MB of memory in use. ENERGY: 221400 3968.0675 20619.5306 14542.5777 238.2635 -203210.6961 2439.4155 0.0000 0.0000 51941.9865 -109460.8548 298.5113 -161402.8413 -109098.2017 298.6134 32.1624 63.9634 760619.4791 -1.5460 -1.5758 PRESSURE: 221600 123.696 -57.8367 -27.5421 -57.8374 -46.1642 126.81 -27.5431 126.812 56.1817 GPRESSURE: 221600 231.357 -60.0926 -69.1935 -9.52308 3.57361 141.775 -20.5539 12.3885 12.4037 PRESSAVG: 221600 -30.8788 -12.096 -5.40131 -12.096 48.3076 3.21812 -5.40125 3.21809 17.5028 GPRESSAVG: 221600 -29.1556 -10.8441 -5.60035 -13.5312 48.3886 3.4763 -2.52776 1.54518 15.7721 TIMING: 221600 CPU: 699.818, 0.00316028/step Wall: 699.818, 0.00316028/step, 4.19474 hours remaining, 231.683594 MB of memory in use. ENERGY: 221600 4075.4241 20552.6688 14484.7786 246.9782 -203605.6300 2786.9450 0.0000 0.0000 52172.3135 -109286.5219 299.8350 -161458.8354 -108914.7202 300.0359 44.5711 82.4449 761037.4775 11.6439 11.6684 PRESSURE: 221800 -362.09 -29.3946 -125.799 -29.3947 -226.107 -12.4599 -125.799 -12.4593 -108.73 GPRESSURE: 221800 -281.596 -45.8855 -54.4535 -82.1615 -204.95 54.9283 -193.073 -29.2663 -133.177 PRESSAVG: 221800 37.6435 -23.946 39.1828 -23.946 -38.5968 -52.7126 39.1828 -52.7126 -12.4708 GPRESSAVG: 221800 35.932 -23.1254 38.5845 -24.504 -37.1095 -50.2631 37.6219 -53.3501 -12.3551 TIMING: 221800 CPU: 700.452, 0.00316776/step Wall: 700.452, 0.00316776/step, 4.2045 hours remaining, 231.683594 MB of memory in use. ENERGY: 221800 4044.1298 20676.9247 14461.9228 258.0500 -203278.8258 2451.7761 0.0000 0.0000 51932.8197 -109453.2028 298.4586 -161386.0225 -109087.6477 299.6872 -232.3090 -206.5742 762125.7480 -4.4747 -4.5109 PRESSURE: 222000 -37.0918 -35.4912 -92.7786 -35.4909 158.522 -20.827 -92.7783 -20.8271 -388.872 GPRESSURE: 222000 -24.7889 -132.468 -136.378 -109.537 193.193 -128.539 -30.8623 -101.614 -327.812 PRESSAVG: 222000 33.7677 -88.6617 -14.1762 -88.6617 -44.5555 -1.94816 -14.1762 -1.94819 16.1503 GPRESSAVG: 222000 34.2718 -90.4105 -13.78 -87.6546 -46.2216 -3.6527 -13.1675 -2.66385 17.0724 TIMING: 222000 CPU: 701.088, 0.00318145/step Wall: 701.088, 0.00318145/step, 4.2225 hours remaining, 231.683594 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: 222000 3984.1334 20635.1383 14389.0332 256.3685 -203444.3612 2671.2639 0.0000 0.0000 52085.9477 -109422.4763 299.3387 -161508.4240 -109053.4121 299.5022 -89.1472 -53.1360 761089.9357 1.7875 1.7075 PRESSURE: 222200 -177.394 -218.959 133.288 -218.958 1.42216 98.7881 133.288 98.7877 -496.204 GPRESSURE: 222200 -154.531 -144.923 120.935 -199.916 87.5602 71.1617 105.432 21.9079 -506.921 PRESSAVG: 222200 -5.35173 -51.8222 -3.92248 -51.8221 0.542192 46.8518 -3.92249 46.8518 -10.8509 GPRESSAVG: 222200 -5.06411 -51.1527 -4.57372 -52.4103 2.3455 46.6694 -3.2136 48.3694 -12.6027 TIMING: 222200 CPU: 701.725, 0.00318447/step Wall: 701.725, 0.00318447/step, 4.22633 hours remaining, 231.683594 MB of memory in use. ENERGY: 222200 4067.6897 20664.1533 14498.5218 234.6016 -203615.9293 2601.9549 0.0000 0.0000 52120.3303 -109428.6776 299.5363 -161549.0079 -109065.8081 299.6688 -224.0587 -191.2972 761892.6213 -5.2202 -5.1071 PRESSURE: 222400 -97.1238 -239.244 204.499 -239.244 -311.841 146.109 204.499 146.11 -423.998 GPRESSURE: 222400 -99.1896 -270.629 230.517 -334.215 -253.225 193.509 180.23 197.081 -404.879 PRESSAVG: 222400 -4.13084 -28.2562 1.83833 -28.2561 -15.093 12.5561 1.8384 12.5562 20.7498 GPRESSAVG: 222400 -3.86411 -27.2587 3.07439 -28.8306 -15.9232 11.6919 0.409813 13.5614 21.0148 TIMING: 222400 CPU: 702.363, 0.00319059/step Wall: 702.363, 0.00319059/step, 4.23427 hours remaining, 231.683594 MB of memory in use. ENERGY: 222400 4026.8231 20594.6656 14548.8184 274.7619 -203099.9162 2309.5588 0.0000 0.0000 51918.4727 -109426.8156 298.3762 -161345.2883 -109066.9197 299.4741 -277.6543 -252.4314 760983.7168 0.5087 0.4091 PRESSURE: 222600 -528.301 98.2543 -415.415 98.2546 -188.478 26.3076 -415.414 26.3076 -546.106 GPRESSURE: 222600 -494.964 172.374 -288.224 83.1903 -136.78 -24.2132 -498.52 12.8425 -532.778 PRESSAVG: 222600 40.3577 -16.8894 -52.4068 -16.8893 7.80066 40.0712 -52.4067 40.0713 -2.57874 GPRESSAVG: 222600 40.883 -16.1805 -53.5749 -17.294 6.31818 40.7693 -49.8919 39.5537 -1.46252 TIMING: 222600 CPU: 703.001, 0.00318927/step Wall: 703.001, 0.00318927/step, 4.23233 hours remaining, 231.683594 MB of memory in use. ENERGY: 222600 4009.1465 20605.3321 14533.9460 245.9147 -203532.8412 2562.1310 0.0000 0.0000 52096.0291 -109480.3418 299.3966 -161576.3709 -109119.9514 299.1439 -420.9616 -388.1741 761953.2103 15.1932 15.2462 PRESSURE: 222800 -170.888 287.852 36.6404 287.852 113.175 85.6162 36.64 85.6162 -63.6781 GPRESSURE: 222800 -69.3515 205.936 16.9474 380.912 19.645 98.2123 -52.8204 -8.25033 6.31277 PRESSAVG: 222800 -14.9369 26.1832 32.9073 26.1832 -2.00883 36.2699 32.9073 36.2699 -7.6683 GPRESSAVG: 222800 -14.4244 26.2142 31.1964 27.392 -2.59695 36.7457 30.7935 36.8447 -8.17389 TIMING: 222800 CPU: 703.635, 0.00317162/step Wall: 703.635, 0.00317162/step, 4.20874 hours remaining, 231.683594 MB of memory in use. ENERGY: 222800 4069.7390 20645.3772 14493.2630 234.2306 -203278.4258 2402.2510 0.0000 0.0000 51994.8684 -109438.6965 298.8152 -161433.5649 -109067.2224 299.3278 -40.4639 -14.4646 760614.8279 -8.2047 -8.3984 PRESSURE: 223000 144.608 181.938 -172.814 181.938 -29.0306 162.304 -172.814 162.303 149.436 GPRESSURE: 223000 160.131 204.863 -122.225 205.521 19.516 209.683 -191.064 187.122 148.375 PRESSAVG: 223000 19.2053 10.5804 16.4642 10.5804 -17.4792 -3.72894 16.4641 -3.72896 -5.56554 GPRESSAVG: 223000 18.9872 8.26758 18.7608 12.9674 -17.2996 -4.48442 17.7955 -4.64583 -4.75443 TIMING: 223000 CPU: 704.269, 0.00316642/step Wall: 704.269, 0.00316642/step, 4.20166 hours remaining, 231.683594 MB of memory in use. ENERGY: 223000 3963.1257 20462.5859 14555.2208 251.6478 -203754.3992 2687.1662 0.0000 0.0000 52001.2252 -109833.4276 298.8518 -161834.6528 -109468.6970 298.6046 88.3379 109.3407 760822.0677 -1.2798 -1.0223 PRESSURE: 223200 -85.0059 124.206 -169.096 124.206 -85.9385 44.0449 -169.097 44.0441 149.445 GPRESSURE: 223200 -46.353 -50.6269 -70.6113 139.518 -112.772 -12.9059 -206.063 41.9789 227.008 PRESSAVG: 223200 -42.4022 -32.5704 34.1392 -32.5704 7.83867 20.1034 34.1392 20.1034 5.66508 GPRESSAVG: 223200 -40.8442 -32.3658 34.6594 -35.0283 7.06732 21.2003 35.2187 18.5246 4.88866 TIMING: 223200 CPU: 704.9, 0.00315553/step Wall: 704.9, 0.00315553/step, 4.18704 hours remaining, 231.683594 MB of memory in use. ENERGY: 223200 3971.3749 20402.1774 14476.6566 236.5017 -203655.0292 2795.1019 0.0000 0.0000 51944.1346 -109829.0819 298.5237 -161773.2165 -109468.9594 298.2693 -7.1665 22.6278 761082.9738 -9.6328 -9.6294 PRESSURE: 223400 -156.528 147.183 299.829 147.182 290.782 -144.989 299.829 -144.989 -251.79 GPRESSURE: 223400 -95.7506 131.328 245.517 152.947 206.631 -213.409 295.067 -150.63 -150.634 PRESSAVG: 223400 -83.9387 2.58905 3.87507 2.589 12.691 63.2261 3.87504 63.226 9.17422 GPRESSAVG: 223400 -84.5837 2.84012 2.89601 2.48189 14.4929 62.7988 3.42776 64.894 8.29726 TIMING: 223400 CPU: 705.534, 0.00317225/step Wall: 705.534, 0.00317225/step, 4.20905 hours remaining, 231.683594 MB of memory in use. ENERGY: 223400 4001.4501 20539.2067 14433.0885 235.7909 -203437.5021 2542.6540 0.0000 0.0000 51762.1167 -109923.1951 297.4776 -161685.3118 -109561.4132 298.5262 -39.1787 -13.2512 760918.2558 -20.6912 -20.5978 PRESSURE: 223600 -62.1057 25.1582 -12.8113 25.1577 -140.182 39.8491 -12.8113 39.8491 202.288 GPRESSURE: 223600 8.6587 110.041 -86.73 -25.0644 -32.0018 109.785 122.611 116.033 122.754 PRESSAVG: 223600 8.93304 -37.1032 54.3252 -37.1032 15.1497 10.115 54.3252 10.1151 6.50817 GPRESSAVG: 223600 7.73502 -37.6047 53.9191 -35.3746 15.3963 11.451 54.8945 9.40831 7.48298 TIMING: 223600 CPU: 706.166, 0.00315734/step Wall: 706.166, 0.00315734/step, 4.18909 hours remaining, 231.683594 MB of memory in use. ENERGY: 223600 3889.0668 20475.5968 14398.0384 234.3709 -203569.7586 2772.4226 0.0000 0.0000 51768.9013 -110031.3617 297.5166 -161800.2630 -109662.6384 298.4914 -0.0001 33.1369 760674.5015 10.1970 10.2048 PRESSURE: 223800 -143.223 69.4412 173.912 69.4415 74.5096 -53.8769 173.912 -53.8762 -484.751 GPRESSURE: 223800 -126.779 -63.6183 62.1257 -8.79461 94.8269 -94.2396 159.455 -26.3785 -433.699 PRESSAVG: 223800 62.4823 -45.796 28.4889 -45.796 -44.2412 48.8879 28.4889 48.8879 14.9068 GPRESSAVG: 223800 62.3857 -44.1054 28.8587 -44.8313 -45.3104 48.1037 28.4826 49.1049 15.1339 TIMING: 223800 CPU: 706.793, 0.00313508/step Wall: 706.793, 0.00313508/step, 4.15938 hours remaining, 231.683594 MB of memory in use. ENERGY: 223800 4030.0746 20371.4889 14462.4024 242.2715 -203582.1857 2729.5470 0.0000 0.0000 51933.9709 -109812.4304 298.4652 -161746.4013 -109447.1077 298.0210 -184.4883 -155.2169 762553.4268 11.0493 10.7364 PRESSURE: 224000 -161.129 91.8098 -185.237 91.8095 -332.305 -9.50336 -185.236 -9.50439 135.025 GPRESSURE: 224000 -66.7644 59.122 -195.697 133.718 -348.092 -33.033 -181.281 51.2943 143.261 PRESSAVG: 224000 4.88946 -30.4769 56.8851 -30.4769 4.34789 6.02619 56.8851 6.02623 -4.60072 GPRESSAVG: 224000 3.80685 -30.5272 57.4703 -31.2764 5.96138 5.39008 54.3302 7.0671 -5.16643 TIMING: 224000 CPU: 707.423, 0.00315051/step Wall: 707.423, 0.00315051/step, 4.17968 hours remaining, 231.683594 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: 224000 3945.1295 20476.6707 14505.9351 255.2516 -203501.3982 2607.4840 0.0000 0.0000 51895.4710 -109815.4563 298.2440 -161710.9273 -109444.9255 298.1826 -119.4697 -90.5317 761488.6121 1.5455 1.5339 PRESSURE: 224200 98.742 -129.73 118.305 -129.73 110.925 145.012 118.304 145.012 181.27 GPRESSURE: 224200 48.0082 -103.427 93.501 -67.5784 178.018 118.113 66.4636 162.33 228.59 PRESSAVG: 224200 -70.9735 -23.4621 -31.6582 -23.462 24.2303 44.5323 -31.6582 44.5323 18.2307 GPRESSAVG: 224200 -70.794 -24.3106 -31.8572 -22.109 24.6425 45.2604 -30.9357 43.7115 17.9208 TIMING: 224200 CPU: 708.054, 0.00315714/step Wall: 708.054, 0.00315714/step, 4.1883 hours remaining, 231.683594 MB of memory in use. ENERGY: 224200 3947.5162 20521.2919 14460.8915 237.9455 -203766.1312 2886.3406 0.0000 0.0000 51961.2265 -109750.9190 298.6219 -161712.1455 -109391.3135 298.1028 130.3126 151.5389 760096.4448 -9.5042 -9.4102 LDB: ============= START OF LOAD BALANCING ============== 720.586 LDB: ============== END OF LOAD BALANCING =============== 720.586 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 720.588 LDB: ============= START OF LOAD BALANCING ============== 720.905 LDB: Largest compute 7060 load 0.030324 is 15.6% of average load 0.194993 LDB: Average compute 0.004371 is 2.2% of average load 0.194993 LDB: TIME 720.909 LOAD: AVG 0.194993 MAX 0.214611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.238 MB LDB: TIME 720.909 LOAD: AVG 0.194993 MAX 0.214611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.371 MB LDB: TIME 720.909 LOAD: AVG 0.194993 MAX 0.214611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.371 MB LDB: ============== END OF LOAD BALANCING =============== 720.911 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 720.916 PRESSURE: 224400 -108.259 -78.0646 31.3052 -78.0643 -408.666 277.216 31.3052 277.216 49.337 GPRESSURE: 224400 -56.3036 -101.255 73.2599 -83.0535 -268.406 268.327 85.5381 208.453 -43.1909 PRESSAVG: 224400 -25.9532 -2.95811 20.1186 -2.95821 21.4008 8.05338 20.1185 8.0533 21.7094 GPRESSAVG: 224400 -24.8886 -2.66087 18.5196 -5.32682 21.9974 5.26193 20.7952 7.40865 20.2349 TIMING: 224400 CPU: 708.699, 0.0032246/step Wall: 708.699, 0.0032246/step, 4.27761 hours remaining, 232.000000 MB of memory in use. ENERGY: 224400 4027.5315 20434.9595 14467.0919 245.6907 -203543.3598 2555.7671 0.0000 0.0000 52021.6679 -109790.6512 298.9692 -161812.3191 -109429.6911 297.9021 -155.8629 -122.6334 760467.4549 5.7190 5.7812 PRESSURE: 224600 32.0219 -193.922 179.869 -193.922 173.179 -240.238 179.868 -240.238 65.2917 GPRESSURE: 224600 76.0313 -150.188 45.5293 -215.593 223.155 -168.698 222.442 -204.586 42.7814 PRESSAVG: 224600 -16.3366 -44.112 26.959 -44.112 45.4062 68.7887 26.959 68.7886 4.14678 GPRESSAVG: 224600 -17.1003 -41.9444 28.9317 -44.4103 44.6023 71.5632 26.6976 68.0827 5.10562 TIMING: 224600 CPU: 709.333, 0.00317102/step Wall: 709.333, 0.00317102/step, 4.20636 hours remaining, 232.203125 MB of memory in use. ENERGY: 224600 4002.1595 20554.6572 14479.9447 242.8840 -203599.6471 2680.7148 0.0000 0.0000 52050.9203 -109588.3666 299.1374 -161639.2869 -109229.2572 298.4104 90.1641 113.9892 761032.3374 11.0721 10.8692 PRESSURE: 224800 198.675 24.6212 -87.5367 24.6208 -68.6574 246.108 -87.5363 246.11 570.917 GPRESSURE: 224800 273.673 -40.3095 -70.8407 -70.9433 -4.54445 257.223 -20.3146 251.428 497.602 PRESSAVG: 224800 4.65677 -4.94456 -11.3719 -4.94461 5.11757 24.4376 -11.3719 24.4376 3.3803 GPRESSAVG: 224800 3.55403 -7.664 -13.5497 -3.23954 6.33876 24.2638 -9.9337 27.4347 3.40937 TIMING: 224800 CPU: 709.964, 0.00315304/step Wall: 709.964, 0.00315304/step, 4.18233 hours remaining, 232.375000 MB of memory in use. ENERGY: 224800 3911.2364 20650.8123 14561.0129 233.8056 -203628.0111 2713.8918 0.0000 0.0000 52096.2626 -109460.9894 299.3979 -161557.2520 -109094.8537 299.3466 233.6448 255.5769 761549.5738 4.3849 4.4341 PRESSURE: 225000 -103.858 -108.78 -167.303 -108.78 41.3907 106.87 -167.303 106.87 -178.105 GPRESSURE: 225000 -149.018 -103.857 -88.8552 -80.6146 141.933 187.356 -29.8805 15.7921 -130.137 PRESSAVG: 225000 -24.3709 -52.9744 34.0926 -52.9744 25.8433 -22.5131 34.0926 -22.5131 6.60155 GPRESSAVG: 225000 -22.6278 -54.5086 36.1531 -54.0047 24.2334 -22.3615 33.6762 -24.1895 6.74057 TIMING: 225000 CPU: 710.591, 0.0031372/step Wall: 710.591, 0.0031372/step, 4.16114 hours remaining, 232.375000 MB of memory in use. ENERGY: 225000 3985.8163 20362.7696 14421.4937 268.2133 -203652.6123 2751.0774 0.0000 0.0000 52201.8405 -109661.4016 300.0047 -161863.2420 -109290.1043 298.9038 -80.1905 -45.7408 761069.4103 2.6913 2.7821 PRESSURE: 225200 114.495 -25.6224 -20.8069 -25.6216 -95.4235 -299.464 -20.806 -299.465 -38.6393 GPRESSURE: 225200 61.1872 94.3126 -70.8967 -13.9257 -55.8052 -237.732 -94.3007 -251.822 45.9442 PRESSAVG: 225200 35.6824 -67.6514 30.2803 -67.6514 24.3102 33.7245 30.2802 33.7246 -5.26227 GPRESSAVG: 225200 34.6085 -67.6811 29.272 -65.791 24.7578 32.8886 29.8769 33.838 -4.76936 TIMING: 225200 CPU: 711.217, 0.00312669/step Wall: 711.217, 0.00312669/step, 4.14703 hours remaining, 232.375000 MB of memory in use. ENERGY: 225200 3937.5509 20487.9038 14475.6757 254.2303 -202947.9057 2460.0784 0.0000 0.0000 51804.2043 -109528.2624 297.7195 -161332.4666 -109147.9273 298.5385 -6.5225 17.1087 762642.6697 18.2435 18.1990 PRESSURE: 225400 17.1611 -140.77 156.416 -140.769 -274.514 229.315 156.416 229.314 -287.469 GPRESSURE: 225400 31.2552 -109.528 69.5982 -171.794 -230.547 112.526 197.485 308.826 -248.883 PRESSAVG: 225400 -10.0668 -62.9438 36.9081 -62.9438 1.55656 -20.4965 36.9081 -20.4965 18.1982 GPRESSAVG: 225400 -10.1346 -60.9206 36.6155 -64.4681 2.36866 -20.5588 36.8546 -19.8216 17.5654 TIMING: 225400 CPU: 711.847, 0.00315191/step Wall: 711.847, 0.00315191/step, 4.1803 hours remaining, 232.375000 MB of memory in use. ENERGY: 225400 4034.0243 20550.1847 14465.0727 253.7849 -203112.7026 2516.1751 0.0000 0.0000 51823.8857 -109469.5753 297.8326 -161293.4610 -109111.9079 298.6786 -181.6072 -149.3914 761780.1558 3.2293 3.2665 PRESSURE: 225600 -174.299 68.7799 23.9484 68.7806 119.543 20.0159 23.9485 20.0155 363.798 GPRESSURE: 225600 -197.804 100.627 139.83 139.333 217.215 2.78782 52.9382 7.36771 383.727 PRESSAVG: 225600 -57.4632 -67.3276 19.92 -67.3276 3.02279 71.4562 19.9199 71.4562 2.96832 GPRESSAVG: 225600 -58.2596 -67.4932 21.3528 -65.594 3.23277 71.9159 22.7283 70.36 3.11187 TIMING: 225600 CPU: 712.481, 0.0031683/step Wall: 712.481, 0.0031683/step, 4.20187 hours remaining, 232.375000 MB of memory in use. ENERGY: 225600 4009.3668 20400.6277 14492.6939 257.5692 -203088.6210 2687.4985 0.0000 0.0000 51867.3085 -109373.5565 298.0821 -161240.8649 -109012.5254 298.2630 103.0141 134.3794 761995.9202 -17.1573 -17.3050 PRESSURE: 225800 -15.1378 296.453 -115.358 296.453 196.997 91.3185 -115.358 91.3177 -89.3199 GPRESSURE: 225800 45.1602 172.909 -67.7268 265.471 180.425 52.4794 -154.927 35.3926 -23.3088 PRESSAVG: 225800 14.1643 6.01402 -3.87229 6.01401 9.62826 -31.9488 -3.87234 -31.9488 19.0881 GPRESSAVG: 225800 16.6388 3.54484 -6.65007 3.42664 7.76815 -31.834 -6.28297 -32.3521 18.5266 TIMING: 225800 CPU: 713.107, 0.00313356/step Wall: 713.107, 0.00313356/step, 4.15563 hours remaining, 232.375000 MB of memory in use. ENERGY: 225800 4084.6237 20451.9187 14461.1980 245.1362 -203313.5880 2565.3666 0.0000 0.0000 52084.1323 -109421.2125 299.3282 -161505.3448 -109052.3560 299.0005 30.8466 67.4256 758425.7178 14.2936 14.3112 PRESSURE: 226000 -277.908 -47.9968 -1.30872 -47.996 -121.787 -166.797 -1.30932 -166.797 75.422 GPRESSURE: 226000 -243.427 -97.3175 -69.086 -59.7555 -89.7666 -188.655 42.6788 -29.4922 85.6243 PRESSAVG: 226000 11.525 19.2312 -26.4728 19.2312 -25.6583 10.6196 -26.4728 10.6196 7.34957 GPRESSAVG: 226000 11.1941 20.7861 -24.5812 19.882 -25.0193 10.2745 -27.4431 11.7321 6.78539 TIMING: 226000 CPU: 713.735, 0.00313608/step Wall: 713.735, 0.00313608/step, 4.15879 hours remaining, 232.375000 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: 226000 4039.3977 20632.1149 14531.0140 245.1266 -203136.1110 2367.8463 0.0000 0.0000 51884.9977 -109435.6137 298.1838 -161320.6114 -109072.8564 298.9745 -108.0910 -82.5231 760408.3259 -2.2612 -2.3466 PRESSURE: 226200 -151.768 -113.811 -13.2921 -113.812 -189.701 -10.43 -13.2921 -10.4317 -102.147 GPRESSURE: 226200 -80.3886 -73.3236 19.1909 -66.3773 -128.978 92.3289 -80.4202 -36.047 -141.819 PRESSAVG: 226200 -18.096 -50.5825 -20.4732 -50.5825 9.8303 21.7297 -20.4733 21.7296 -22.964 GPRESSAVG: 226200 -18.2971 -50.733 -21.2357 -47.7687 9.2497 21.8767 -20.9653 21.4381 -21.7502 TIMING: 226200 CPU: 714.362, 0.00313831/step Wall: 714.362, 0.00313831/step, 4.16157 hours remaining, 232.375000 MB of memory in use. ENERGY: 226200 3959.8786 20656.6011 14472.2692 254.4284 -203201.6814 2453.1135 0.0000 0.0000 51842.4177 -109562.9729 297.9391 -161405.3906 -109200.6343 298.4582 -147.8721 -117.0620 760019.1118 -10.4099 -10.2658 PRESSURE: 226400 -5.21894 226.284 89.9347 226.284 -81.2792 -72.8737 89.9357 -72.8734 160.173 GPRESSURE: 226400 23.5172 74.1104 89.3315 225.119 -130.967 -68.3463 44.3776 -85.4203 272.611 PRESSAVG: 226400 -19.6973 -31.9286 -22.7913 -31.9286 -9.68306 0.691135 -22.7913 0.691078 18.5294 GPRESSAVG: 226400 -20.0579 -31.1116 -22.9092 -34.4743 -9.76164 0.229503 -23.0958 0.6544 19.2932 TIMING: 226400 CPU: 714.992, 0.0031487/step Wall: 714.992, 0.0031487/step, 4.17518 hours remaining, 232.375000 MB of memory in use. ENERGY: 226400 4015.3772 20497.1466 14483.4639 261.4511 -203284.7264 2629.8874 0.0000 0.0000 51737.0784 -109660.3217 297.3337 -161397.4001 -109307.2488 298.6531 24.5584 55.0537 760795.2785 -3.6170 -3.5088 PRESSURE: 226600 -21.7029 -25.0386 -102.634 -25.0392 10.3699 152.746 -102.634 152.746 -72.9881 GPRESSURE: 226600 -50.3805 83.6915 -75.8526 -24.0171 105.145 231.989 -192.737 168.899 -51.9095 PRESSAVG: 226600 52.3359 -72.9598 -61.6579 -72.9599 -27.3376 -24.7565 -61.658 -24.7565 12.0355 GPRESSAVG: 226600 52.1284 -72.8374 -62.8173 -72.3124 -26.1773 -23.6102 -60.7306 -25.5099 11.4505 TIMING: 226600 CPU: 715.62, 0.00313849/step Wall: 715.62, 0.00313849/step, 4.16146 hours remaining, 232.375000 MB of memory in use. ENERGY: 226600 4007.1677 20394.9488 14416.3589 250.0546 -203379.9185 2400.0285 0.0000 0.0000 52118.7842 -109792.5759 299.5274 -161911.3600 -109423.7019 298.7546 -28.1070 0.9518 759783.2637 12.3446 12.4672 PRESSURE: 226800 -465.347 -76.1474 -154.886 -76.1466 -348.942 9.88003 -154.885 9.87996 42.1665 GPRESSURE: 226800 -378.381 16.1822 -132.987 47.13 -343.244 -18.8884 -71.8825 55.9946 44.5561 PRESSAVG: 226800 -60.8588 -1.4392 -41.2686 -1.43922 66.0071 -31.005 -41.2686 -31.005 3.96091 GPRESSAVG: 226800 -60.9644 -1.95474 -39.758 -0.749184 64.1651 -31.591 -40.9753 -29.4772 5.07627 TIMING: 226800 CPU: 716.255, 0.00317477/step Wall: 716.255, 0.00317477/step, 4.20939 hours remaining, 232.386719 MB of memory in use. ENERGY: 226800 4010.5846 20495.6101 14448.9971 236.7830 -203438.2775 2760.9132 0.0000 0.0000 51717.5965 -109767.7931 297.2217 -161485.3895 -109411.6929 298.4359 -257.3742 -225.6898 760246.1798 3.0364 2.7590 PRESSURE: 227000 16.8969 -147.997 158.833 -147.998 286.527 -75.2278 158.832 -75.2283 71.0857 GPRESSURE: 227000 42.8942 -186.274 165.525 -22.9012 307.26 -77.6222 64.7662 -110.477 122.535 PRESSAVG: 227000 -57.0608 -3.19476 24.5308 -3.1947 52.3187 -58.591 24.5308 -58.591 10.459 GPRESSAVG: 227000 -55.8628 -2.13933 21.6999 -2.7713 53.2402 -59.7063 24.8712 -57.1807 8.29901 TIMING: 227000 CPU: 716.881, 0.00313074/step Wall: 716.881, 0.00313074/step, 4.15084 hours remaining, 232.386719 MB of memory in use. ENERGY: 227000 3911.0276 20283.6951 14366.9078 244.3572 -203665.1303 2841.2937 0.0000 0.0000 52179.1137 -109838.7352 299.8741 -162017.8489 -109469.7974 298.2114 124.8364 157.5632 759971.1256 1.9056 1.8921 PRESSURE: 227200 -76.1033 -62.0707 336.512 -62.0717 328.803 -52.614 336.512 -52.6149 267.652 GPRESSURE: 227200 -33.4413 -104.836 352.203 -152.495 441.541 -58.5803 224.047 -127.678 228.088 PRESSAVG: 227200 -60.138 -1.66816 4.80537 -1.66813 15.4672 16.6624 4.80535 16.6625 3.96258 GPRESSAVG: 227200 -61.4641 -0.225771 7.18972 -2.15842 16.2755 16.0034 3.59594 15.3714 4.69902 TIMING: 227200 CPU: 717.508, 0.00313686/step Wall: 717.508, 0.00313686/step, 4.15878 hours remaining, 232.386719 MB of memory in use. ENERGY: 227200 4064.1465 20397.9225 14449.4175 229.2081 -203718.7990 2840.3071 0.0000 0.0000 51845.1644 -109892.6330 297.9549 -161737.7974 -109534.4392 298.2678 173.4505 212.0625 762165.8805 -13.5694 -13.4965 PRESSURE: 227400 73.5481 -33.5646 84.4605 -33.5649 141.256 -175.053 84.4601 -175.053 -78.0285 GPRESSURE: 227400 139.473 -48.6998 93.9218 142.061 163.566 -77.3152 27.1968 -190.832 -83.328 PRESSAVG: 227400 -50.7942 -58.5625 -1.26861 -58.5625 75.5809 -15.2363 -1.26868 -15.2363 -6.56347 GPRESSAVG: 227400 -52.0979 -62.5339 -1.24005 -57.1629 75.3419 -11.5517 -2.04587 -15.4003 -5.63783 TIMING: 227400 CPU: 718.132, 0.00312089/step Wall: 718.132, 0.00312089/step, 4.13743 hours remaining, 232.386719 MB of memory in use. ENERGY: 227400 3973.5680 20604.8448 14435.8913 243.0186 -203614.6462 2818.6575 0.0000 0.0000 51682.0031 -109856.6628 297.0172 -161538.6659 -109499.4482 297.9300 45.5918 73.2370 761588.9139 6.0744 5.8687 PRESSURE: 227600 -38.4395 78.4282 -16.3644 78.4277 50.8768 -70.1356 -16.3632 -70.136 -164.026 GPRESSURE: 227600 83.8953 -4.15807 10.8202 53.256 -5.50913 -74.9022 -15.3403 -182.535 -142.292 PRESSAVG: 227600 9.98323 -14.7444 31.8905 -14.7444 32.7664 -24.2693 31.8905 -24.2693 20.7938 GPRESSAVG: 227600 9.61948 -14.7329 32.1638 -15.587 33.2673 -25.476 32.5713 -24.1756 20.7354 TIMING: 227600 CPU: 718.756, 0.00311959/step Wall: 718.756, 0.00311959/step, 4.13554 hours remaining, 232.386719 MB of memory in use. ENERGY: 227600 3937.4131 20475.2784 14449.8731 237.0778 -203629.7829 2721.2353 0.0000 0.0000 51942.3750 -109866.5301 298.5135 -161808.9052 -109501.5154 297.5885 -50.5295 -21.3018 761983.5216 21.1811 21.2074 PRESSURE: 227800 -65.9553 93.068 -36.456 93.0671 -50.3563 -46.8932 -36.4566 -46.8945 -84.2693 GPRESSURE: 227800 -4.54959 38.4792 -129.578 -60.1145 -54.746 -137.616 -187.151 -88.1014 -61.1685 PRESSAVG: 227800 -6.49155 -51.6269 -3.8909 -51.627 45.6554 16.1427 -3.89088 16.1427 11.319 GPRESSAVG: 227800 -5.32295 -50.0742 -4.62261 -51.9133 44.6512 14.8205 -2.58269 15.3586 11.1895 TIMING: 227800 CPU: 719.384, 0.0031383/step Wall: 719.384, 0.0031383/step, 4.16016 hours remaining, 232.386719 MB of memory in use. ENERGY: 227800 3980.2297 20595.0894 14533.1573 256.7017 -203751.3099 2684.0567 0.0000 0.0000 52021.9079 -109680.1671 298.9706 -161702.0750 -109306.8982 298.1253 -66.8603 -40.1547 759741.7399 16.8276 16.8392 PRESSURE: 228000 -333.533 -191.96 177.234 -191.96 146.037 137.635 177.235 137.635 -81.7709 GPRESSURE: 228000 -182.048 -176.412 172.23 -35.5631 62.2172 144.033 105.009 51.1264 -76.9824 PRESSAVG: 228000 -44.7286 -12.8685 -54.5942 -12.8685 17.165 -17.0871 -54.5943 -17.0871 -5.52982 GPRESSAVG: 228000 -43.4254 -14.6452 -54.441 -10.5734 15.7105 -16.9353 -53.5683 -17.3735 -5.81517 TIMING: 228000 CPU: 720.009, 0.00312528/step Wall: 720.009, 0.00312528/step, 4.14273 hours remaining, 232.386719 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: 228000 4016.1123 20583.3983 14486.5143 234.1308 -203134.9914 2508.1443 0.0000 0.0000 51662.9127 -109643.7788 296.9075 -161306.6915 -109294.0787 298.8599 -89.7555 -65.6045 762030.2003 -11.0311 -11.1767 PRESSURE: 228200 150.123 88.8777 -11.5564 88.8773 -104.386 43.0989 -11.5561 43.0997 106.746 GPRESSURE: 228200 120.229 55.2554 55.9132 73.6376 -25.1035 65.258 -3.82423 126.561 156.379 PRESSAVG: 228200 1.65005 -7.85171 25.6767 -7.85173 -18.8194 -20.2271 25.6766 -20.227 -4.99049 GPRESSAVG: 228200 1.18768 -5.37164 25.8038 -10.6127 -17.0757 -19.8933 23.2657 -20.2514 -6.10023 TIMING: 228200 CPU: 720.636, 0.00313562/step Wall: 720.636, 0.00313562/step, 4.15627 hours remaining, 232.386719 MB of memory in use. ENERGY: 228200 4005.2120 20522.0161 14433.1822 250.8825 -203856.6001 2826.1823 0.0000 0.0000 52061.6558 -109757.4692 299.1991 -161819.1250 -109395.8024 298.6696 50.8277 83.8351 760768.9251 -7.3866 -7.3294 LDB: ============= START OF LOAD BALANCING ============== 733.169 LDB: ============== END OF LOAD BALANCING =============== 733.169 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 733.171 LDB: ============= START OF LOAD BALANCING ============== 733.486 LDB: Largest compute 7060 load 0.031696 is 16.3% of average load 0.195022 LDB: Average compute 0.004377 is 2.2% of average load 0.195022 LDB: TIME 733.489 LOAD: AVG 0.195022 MAX 0.213532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.344 MB LDB: TIME 733.489 LOAD: AVG 0.195022 MAX 0.213532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.344 MB LDB: TIME 733.489 LOAD: AVG 0.195022 MAX 0.213532 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.344 MB LDB: ============== END OF LOAD BALANCING =============== 733.492 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 733.497 PRESSURE: 228400 7.3114 69.8708 -202.977 69.87 -138.92 -79.5309 -202.978 -79.5316 102.353 GPRESSURE: 228400 41.4279 18.8756 -223.144 170.011 -108.267 -108.716 -87.8734 -12.2979 133.198 PRESSAVG: 228400 16.446 5.03924 47.7694 5.03924 -20.9832 -50.8632 47.7694 -50.8632 -0.704295 GPRESSAVG: 228400 16.5845 5.8298 47.3462 5.62006 -21.4581 -51.1121 50.7561 -50.1527 -0.365522 TIMING: 228400 CPU: 721.28, 0.0032187/step Wall: 721.28, 0.0032187/step, 4.26621 hours remaining, 233.195312 MB of memory in use. ENERGY: 228400 3981.0396 20591.3917 14468.3073 242.0085 -203524.3203 2568.6020 0.0000 0.0000 51865.9857 -109806.9855 298.0745 -161672.9712 -109453.5142 298.4414 -9.7517 22.1194 759661.5018 -1.7472 -1.7464 PRESSURE: 228600 186.49 -348.619 -76.6947 -348.618 -231.546 -80.0361 -76.695 -80.0348 263.353 GPRESSURE: 228600 124.391 -315.065 5.53088 -390.591 -67.3672 -56.1474 -126.027 56.7685 262.986 PRESSAVG: 228600 41.1465 -41.8358 50.6733 -41.8358 -40.1234 -1.73236 50.6733 -1.73228 4.28512 GPRESSAVG: 228600 39.9668 -44.914 51.4948 -38.9058 -39.5677 -1.49582 48.9936 -1.21667 4.62061 TIMING: 228600 CPU: 721.911, 0.00315333/step Wall: 721.911, 0.00315334/step, 4.1794 hours remaining, 233.714844 MB of memory in use. ENERGY: 228600 4015.0588 20543.3435 14460.2500 254.4062 -203597.3890 2573.9816 0.0000 0.0000 51964.9533 -109785.3955 298.6433 -161750.3488 -109421.5441 298.3511 72.7658 106.6698 758013.5576 1.7694 1.6732 PRESSURE: 228800 -17.6561 -144.01 26.8379 -144.011 -116.617 161.727 26.8371 161.727 206.551 GPRESSURE: 228800 46.1344 -98.5537 13.401 -157.538 -139.964 186.679 20.2929 33.8672 261.306 PRESSAVG: 228800 -5.79919 -19.6032 41.5762 -19.6032 9.87815 -67.0132 41.5762 -67.0132 31.4019 GPRESSAVG: 228800 -5.41239 -17.0603 40.4695 -22.2676 9.62097 -66.7413 43.518 -66.7893 31.3945 TIMING: 228800 CPU: 722.542, 0.00315964/step Wall: 722.542, 0.00315964/step, 4.18758 hours remaining, 233.714844 MB of memory in use. ENERGY: 228800 3970.3969 20532.5569 14513.0832 242.4560 -203456.8721 2356.4724 0.0000 0.0000 52177.1775 -109664.7290 299.8630 -161841.9066 -109294.2781 298.7548 24.0925 55.8255 758586.4616 11.8270 11.8677 PRESSURE: 229000 307.48 59.6759 230.976 59.6773 349.105 203.978 230.976 203.979 -154.981 GPRESSURE: 229000 292.295 -51.865 241.252 -39.3001 390.466 97.4307 242.042 136.646 -97.7407 PRESSAVG: 229000 -17.2347 -21.3901 19.7124 -21.3901 6.34021 -18.7555 19.7124 -18.7555 -38.6692 GPRESSAVG: 229000 -17.3515 -23.484 21.4384 -21.1588 6.13857 -20.3974 17.1954 -20.353 -38.4724 TIMING: 229000 CPU: 723.176, 0.00316878/step Wall: 723.176, 0.00316878/step, 4.19951 hours remaining, 233.734375 MB of memory in use. ENERGY: 229000 3935.3213 20524.7296 14488.6416 255.4478 -203713.8867 2721.3922 0.0000 0.0000 52320.3387 -109468.0155 300.6857 -161788.3541 -109119.3492 299.2567 167.2010 195.0068 759426.4501 -16.5212 -16.5618 PRESSURE: 229200 257.996 -224.552 21.8125 -224.552 -55.9555 70.356 21.8128 70.3553 56.3278 GPRESSURE: 229200 311.636 -54.6998 -99.448 -237.468 -58.2855 17.3214 14.6894 -81.2447 105.279 PRESSAVG: 229200 -1.45807 -54.618 33.2767 -54.618 10.8135 10.0232 33.2767 10.0231 5.21754 GPRESSAVG: 229200 -1.64366 -51.7291 32.7274 -56.6312 11.0082 10.4489 33.4533 12.8717 5.36305 TIMING: 229200 CPU: 723.806, 0.00314986/step Wall: 723.806, 0.00314986/step, 4.17427 hours remaining, 233.734375 MB of memory in use. ENERGY: 229200 3919.3134 20616.0192 14454.7920 242.2169 -203473.7557 2794.8383 0.0000 0.0000 52265.2292 -109181.3467 300.3690 -161446.5759 -108811.7975 299.6539 86.1229 119.5431 760186.7428 4.8577 4.9092 PRESSURE: 229400 15.5802 -151.042 126.639 -151.042 270.068 -43.4271 126.639 -43.4273 67.7973 GPRESSURE: 229400 48.5485 -165.988 192.429 -205.396 282.888 -0.14809 238.129 70.7593 135.609 PRESSAVG: 229400 7.78915 -38.8852 -34.6909 -38.8852 9.58208 14.3175 -34.691 14.3175 4.92147 GPRESSAVG: 229400 7.22729 -41.1283 -35.2521 -34.2347 9.98306 16.4027 -34.1878 12.5902 5.34244 TIMING: 229400 CPU: 724.441, 0.00317337/step Wall: 724.441, 0.00317337/step, 4.20524 hours remaining, 233.734375 MB of memory in use. ENERGY: 229400 3949.5719 20655.6765 14470.1607 262.8010 -203356.4307 2790.5564 0.0000 0.0000 52035.4496 -109192.2146 299.0484 -161227.6642 -108829.3175 300.0902 117.8153 155.6818 761038.7384 7.4309 7.5176 PRESSURE: 229600 -6.79581 157.313 128.068 157.312 -199.301 19.7901 128.068 19.7897 133.601 GPRESSURE: 229600 34.142 237.28 180.833 91.4515 -173.161 11.299 107.914 -77.0275 145.419 PRESSAVG: 229600 -37.4678 -56.8943 22.5992 -56.8943 31.4385 -0.313024 22.5991 -0.313025 4.91015 GPRESSAVG: 229600 -37.2101 -55.8282 23.9212 -59.0219 31.3841 -1.36097 22.056 0.518423 4.3163 TIMING: 229600 CPU: 725.071, 0.0031511/step Wall: 725.071, 0.0031511/step, 4.17556 hours remaining, 233.734375 MB of memory in use. ENERGY: 229600 4002.4443 20455.0019 14487.0886 235.3880 -203443.4088 2498.7603 0.0000 0.0000 52424.6686 -109340.0572 301.2853 -161764.7258 -108976.6132 300.0913 -24.1651 2.1331 761854.7249 -0.3730 -0.5033 PRESSURE: 229800 308.722 -78.6736 -55.4081 -78.6746 294.27 -262.264 -55.4084 -262.263 309.589 GPRESSURE: 229800 323.805 -104.369 -55.6425 -12.4297 331.225 -316.045 38.0791 -218.549 321.564 PRESSAVG: 229800 4.66017 -12.2877 1.59931 -12.2878 22.6477 -9.39924 1.5993 -9.39913 26.3305 GPRESSAVG: 229800 5.36563 -11.106 1.52147 -13.3817 22.7169 -10.4545 0.358107 -8.93631 25.9112 TIMING: 229800 CPU: 725.698, 0.0031361/step Wall: 725.698, 0.0031361/step, 4.1555 hours remaining, 233.734375 MB of memory in use. ENERGY: 229800 3994.7644 20801.0944 14475.1979 265.1595 -203871.6142 2842.1287 0.0000 0.0000 52245.3164 -109247.9528 300.2546 -161493.2692 -108884.5384 300.3083 304.1935 325.5311 760856.9570 17.8794 17.9979 PRESSURE: 230000 5.96521 23.2957 -198.395 23.2955 52.5423 -123.942 -198.394 -123.94 -313.417 GPRESSURE: 230000 66.4506 -5.87192 -140.622 34.9628 40.3445 -102.895 -158.455 -178.138 -271.462 PRESSAVG: 230000 4.76072 -59.4523 -32.3963 -59.4523 1.14037 -30.7167 -32.3962 -30.7167 13.3569 GPRESSAVG: 230000 5.62595 -62.2367 -32.4845 -57.0241 0.335876 -30.2287 -31.29 -32.705 14.1298 TIMING: 230000 CPU: 726.325, 0.00313343/step Wall: 726.325, 0.00313343/step, 4.1518 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: 230000 4038.4041 20757.1673 14436.7870 256.2944 -203546.8742 2770.5218 0.0000 0.0000 51960.9807 -109326.7188 298.6205 -161287.6996 -108979.6536 299.7464 -84.9698 -54.8888 762023.9975 6.4193 6.6972 PRESSURE: 230200 307.92 -119.401 102.897 -119.401 0.254254 0.0221908 102.896 0.0216352 291.578 GPRESSURE: 230200 260.544 -135.232 103.301 -81.0751 67.9607 37.8138 3.31591 -29.7148 357.7 PRESSAVG: 230200 -28.9172 -26.9363 -17.2336 -26.9363 -4.29879 42.2378 -17.2336 42.2377 0.28549 GPRESSAVG: 230200 -29.5569 -24.1491 -19.2737 -29.4865 -4.7078 43.3073 -15.3794 42.8639 1.14804 TIMING: 230200 CPU: 726.954, 0.00314433/step Wall: 726.954, 0.00314433/step, 4.16607 hours remaining, 233.734375 MB of memory in use. ENERGY: 230200 4035.1910 20737.7548 14470.0061 245.2911 -203066.6134 2564.8374 0.0000 0.0000 51641.3676 -109372.1654 296.7836 -161013.5330 -109007.3331 298.9747 199.9175 228.7349 761659.1788 -10.9768 -11.0389 PRESSURE: 230400 351.27 -162.806 -78.1437 -162.806 113.029 44.3151 -78.1438 44.3137 170.963 GPRESSURE: 230400 371.575 -242.469 -48.7708 -137.592 223.646 73.5089 -114.484 103.643 119.539 PRESSAVG: 230400 10.2876 14.9693 24.335 14.9693 -24.831 -10.4869 24.3349 -10.4869 23.2189 GPRESSAVG: 230400 9.61874 15.0832 26.2327 17.647 -23.0385 -10.5916 23.4753 -11.0494 22.0593 TIMING: 230400 CPU: 727.583, 0.00314533/step Wall: 727.583, 0.00314533/step, 4.16721 hours remaining, 233.734375 MB of memory in use. ENERGY: 230400 4025.4779 20623.4225 14422.8281 262.5723 -203541.0958 2873.6951 0.0000 0.0000 51932.1057 -109400.9944 298.4545 -161333.1000 -109042.7897 298.9370 211.7544 238.2533 761515.1004 2.8918 2.8798 PRESSURE: 230600 171.336 74.3096 -130.14 74.3098 207.124 89.258 -130.139 89.2584 -282.354 GPRESSURE: 230600 147.817 186.504 -191.406 110.571 254.197 79.3386 -174.012 142.607 -206.585 PRESSAVG: 230600 -6.94269 -14.9235 -4.18838 -14.9235 5.30104 -11.8611 -4.18836 -11.8611 17.7383 GPRESSAVG: 230600 -6.32607 -16.36 -4.30281 -15.4913 4.27095 -13.9914 -3.61015 -10.3062 18.4468 TIMING: 230600 CPU: 728.213, 0.00315151/step Wall: 728.213, 0.00315151/step, 4.17522 hours remaining, 233.734375 MB of memory in use. ENERGY: 230600 4073.3828 20682.1030 14494.7179 258.9801 -203713.0623 2843.4406 0.0000 0.0000 51763.4408 -109596.9970 297.4852 -161360.4378 -109227.4239 298.8934 32.0352 65.1430 759641.7604 5.3656 5.4639 PRESSURE: 230800 -145.234 100.542 -47.2812 100.541 -111.361 12.7441 -47.2809 12.7439 -305.708 GPRESSURE: 230800 -55.6054 124.21 -34.7488 115.612 -112.166 111.944 -56.9764 68.0536 -318.576 PRESSAVG: 230800 42.1404 25.9635 1.02438 25.9634 1.48265 11.4335 1.02437 11.4335 -25.2761 GPRESSAVG: 230800 42.4798 29.2328 0.993966 24.0701 1.381 13.3495 -1.53513 10.6441 -25.3142 TIMING: 230800 CPU: 728.847, 0.00316777/step Wall: 728.847, 0.00316777/step, 4.19659 hours remaining, 233.734375 MB of memory in use. ENERGY: 230800 3996.9729 20578.9485 14421.2607 257.5059 -203475.9377 2523.1442 0.0000 0.0000 51917.9879 -109780.1177 298.3734 -161698.1056 -109421.3660 297.9832 -187.4343 -162.1159 760042.2083 6.1156 6.1822 PRESSURE: 231000 -88.6073 -51.4537 -141.493 -51.4541 334.817 8.37988 -141.493 8.37927 -288.773 GPRESSURE: 231000 -13.0509 -46.4232 -217.294 6.53504 307.12 65.7925 -184.067 -30.1979 -254.088 PRESSAVG: 231000 21.5272 7.02465 14.9529 7.02464 -23.7794 -12.603 14.9528 -12.603 29.1576 GPRESSAVG: 231000 22.169 5.24263 14.2771 7.96326 -23.8078 -12.7649 15.8545 -14.2107 28.4346 TIMING: 231000 CPU: 729.48, 0.00316509/step Wall: 729.48, 0.00316509/step, 4.19286 hours remaining, 233.734375 MB of memory in use. ENERGY: 231000 3926.9853 20539.3457 14497.2249 244.6378 -203382.1641 2625.3208 0.0000 0.0000 51900.2017 -109648.4480 298.2712 -161548.6496 -109288.4568 298.6227 -14.1880 13.3270 761258.5020 8.9685 8.9319 PRESSURE: 231200 179.588 19.0473 -50.0747 19.0459 -122.236 -68.7463 -50.0746 -68.7451 -247.119 GPRESSURE: 231200 107.44 84.4761 -117.225 -27.0831 22.0731 -48.196 -96.646 30.5511 -210.537 PRESSAVG: 231200 -18.9324 1.14395 21.1247 1.14396 25.6327 26.0868 21.1248 26.0869 -0.99327 GPRESSAVG: 231200 -19.1549 1.87119 19.9111 0.0410492 25.5623 26.1772 22.4888 30.4204 -0.630525 TIMING: 231200 CPU: 730.109, 0.00314803/step Wall: 730.109, 0.00314803/step, 4.17009 hours remaining, 233.734375 MB of memory in use. ENERGY: 231200 3973.1590 20581.9524 14494.2088 259.6215 -203522.2929 2736.6985 0.0000 0.0000 51811.8303 -109664.8225 297.7633 -161476.6528 -109308.4769 298.6972 -63.2557 -27.0080 761415.9775 1.9024 1.9257 PRESSURE: 231400 -215.21 -209.592 192.721 -209.593 -307.425 -96.1354 192.721 -96.135 -56.9755 GPRESSURE: 231400 -175.221 -131.251 123.75 -185.402 -218.949 -8.54799 78.6498 -50.0673 -91.5484 PRESSAVG: 231400 -20.6899 5.27671 -9.12697 5.27662 43.3285 15.2064 -9.1269 15.2064 37.2368 GPRESSAVG: 231400 -21.6781 4.04924 -7.43994 6.25555 43.9837 15.6036 -10.912 13.5539 37.5017 TIMING: 231400 CPU: 730.741, 0.00315796/step Wall: 730.741, 0.00315796/step, 4.18307 hours remaining, 233.734375 MB of memory in use. ENERGY: 231400 3960.1822 20532.0048 14429.2820 265.5730 -203686.0743 2827.0941 0.0000 0.0000 52045.9845 -109625.9537 299.1090 -161671.9382 -109264.5927 298.9714 -193.2037 -161.9061 761046.5196 19.9585 19.9358 PRESSURE: 231600 -181.695 -47.9596 -191.138 -47.9586 -40.323 64.4923 -191.137 64.4916 -237.857 GPRESSURE: 231600 -191.051 26.3039 -160.378 8.67837 4.95087 85.8317 -321.161 209.075 -171.245 PRESSAVG: 231600 0.0410894 38.213 38.4664 38.213 2.76818 -20.7511 38.4664 -20.7512 -7.01861 GPRESSAVG: 231600 0.138691 38.0485 38.0952 37.0008 2.98455 -19.6046 40.2653 -21.8545 -7.01007 TIMING: 231600 CPU: 731.37, 0.00314397/step Wall: 731.37, 0.00314397/step, 4.16437 hours remaining, 233.734375 MB of memory in use. ENERGY: 231600 3919.8331 20533.1584 14418.4241 251.8534 -203143.6499 2465.7634 0.0000 0.0000 52019.4503 -109535.1671 298.9565 -161554.6174 -109157.1126 298.9147 -153.2917 -119.1150 761494.8971 -1.4031 -1.2956 PRESSURE: 231800 -243.071 36.622 291.874 36.6225 -24.5025 10.2788 291.874 10.2772 176.304 GPRESSURE: 231800 -193.335 16.8875 303.663 139.823 -12.3776 -4.72502 356.979 -40.0207 186.849 PRESSAVG: 231800 -76.3939 -18.2979 -10.5289 -18.2979 50.0367 30.5532 -10.5289 30.5532 9.85338 GPRESSAVG: 231800 -76.5243 -16.9085 -10.3604 -16.0131 50.1511 29.5528 -12.0047 32.2452 8.93832 TIMING: 231800 CPU: 731.998, 0.00314034/step Wall: 731.998, 0.00314034/step, 4.15938 hours remaining, 233.734375 MB of memory in use. ENERGY: 231800 3947.0873 20538.7216 14438.5789 256.1113 -203122.0995 2454.8968 0.0000 0.0000 52138.5765 -109348.1272 299.6411 -161486.7036 -108987.6598 298.9486 -30.4233 -6.2880 760381.4695 -5.5013 -5.8116 PRESSURE: 232000 121.379 -37.8565 4.70718 -37.857 -123.997 -109.791 4.70699 -109.79 -80.3579 GPRESSURE: 232000 109.047 -96.5003 -8.83197 65.222 -81.6193 -65.7331 45.7975 -72.4078 -17.6646 PRESSAVG: 232000 -0.328269 22.2567 9.61066 22.2568 -1.84709 14.7198 9.61069 14.7198 2.08768 GPRESSAVG: 232000 -0.510957 22.0383 9.81384 20.0124 -1.92146 15.4862 10.9118 14.9861 2.65144 TIMING: 232000 CPU: 732.625, 0.00313659/step Wall: 732.625, 0.00313659/step, 4.15423 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: 232000 3935.6717 20572.9232 14507.3634 251.9334 -203153.9396 2536.7002 0.0000 0.0000 52160.5182 -109188.8295 299.7672 -161349.3477 -108826.5175 299.8078 -27.6586 3.2545 761880.1985 -0.0292 0.0730 PRESSURE: 232200 -15.2118 159.859 -51.2824 159.859 134.328 -150.74 -51.2822 -150.74 362.882 GPRESSURE: 232200 -4.38177 138.071 -90.468 114.21 245.572 -136.422 60.9726 -41.4617 323.161 PRESSAVG: 232200 -43.2552 12.2158 38.805 12.2158 33.2074 -26.9532 38.805 -26.9532 2.83987 GPRESSAVG: 232200 -42.8223 12.1106 38.5221 11.5643 31.6984 -29.6572 40.4732 -26.8732 3.15037 TIMING: 232200 CPU: 733.257, 0.00316014/step Wall: 733.257, 0.00316014/step, 4.18525 hours remaining, 233.734375 MB of memory in use. ENERGY: 232200 3987.8312 20498.5577 14463.8349 246.9976 -203154.2307 2454.2336 0.0000 0.0000 52141.6356 -109361.1401 299.6587 -161502.7757 -108999.1484 299.1720 160.6660 188.1172 761341.6715 -2.4026 -2.6579 LDB: ============= START OF LOAD BALANCING ============== 745.788 LDB: ============== END OF LOAD BALANCING =============== 745.789 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 745.79 LDB: ============= START OF LOAD BALANCING ============== 746.106 LDB: Largest compute 7031 load 0.031588 is 16.2% of average load 0.194822 LDB: Average compute 0.004395 is 2.3% of average load 0.194822 LDB: TIME 746.109 LOAD: AVG 0.194822 MAX 0.21106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.184 MB LDB: TIME 746.109 LOAD: AVG 0.194822 MAX 0.21106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.184 MB LDB: TIME 746.109 LOAD: AVG 0.194822 MAX 0.21106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.184 MB LDB: ============== END OF LOAD BALANCING =============== 746.111 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 746.116 PRESSURE: 232400 109.629 -44.0164 148.216 -44.0162 -67.3149 -7.71649 148.217 -7.71684 -126.822 GPRESSURE: 232400 178.523 57.9632 180.356 -67.0208 -43.247 56.514 63.246 -168.014 -125.478 PRESSAVG: 232400 -21.5944 7.52055 9.69811 7.5206 32.9895 50.0609 9.69812 50.0609 -12.0228 GPRESSAVG: 232400 -21.4883 8.38498 8.99375 9.0134 33.8376 52.2643 5.96904 48.6404 -13.271 TIMING: 232400 CPU: 733.899, 0.00321/step Wall: 733.899, 0.00321/step, 4.25111 hours remaining, 231.855469 MB of memory in use. ENERGY: 232400 4009.4577 20431.1588 14526.3991 259.2297 -203261.7319 2629.8188 0.0000 0.0000 51946.0458 -109459.6220 298.5346 -161405.6678 -109098.1894 299.1928 -28.1692 3.2660 763720.6835 -0.2092 -0.3073 PRESSURE: 232600 -182.971 -166.718 -104.677 -166.719 -44.1208 -43.1766 -104.676 -43.176 -281.958 GPRESSURE: 232600 -213.839 -88.3366 -105.38 -88.4716 51.8404 -17.9168 -125.457 179.642 -255.583 PRESSAVG: 232600 13.7728 13.771 -47.1872 13.771 15.1064 40.7124 -47.1872 40.7124 -14.2515 GPRESSAVG: 232600 12.7432 11.8858 -47.1272 14.2085 15.7624 40.1646 -44.7193 42.2415 -13.3496 TIMING: 232600 CPU: 734.531, 0.0031576/step Wall: 734.531, 0.0031576/step, 4.18154 hours remaining, 231.855469 MB of memory in use. ENERGY: 232600 4033.5757 20411.7018 14509.0142 247.9931 -203431.2266 2783.4166 0.0000 0.0000 52058.4746 -109387.0505 299.1808 -161445.5252 -109026.1655 298.9336 -169.6834 -139.1940 762539.5847 4.8759 5.0520 PRESSURE: 232800 34.6416 -4.64792 -106.99 -4.64851 -152.632 51.8415 -106.989 51.8412 -14.3264 GPRESSURE: 232800 24.0983 27.8665 -78.4086 -39.7076 -30.4827 7.22201 3.06569 -19.5095 -61.5415 PRESSAVG: 232800 -8.51072 5.46612 8.27747 5.46613 36.4347 -24.1749 8.27742 -24.1748 24.3468 GPRESSAVG: 232800 -7.3985 5.14255 8.56263 3.86333 36.0777 -25.3957 8.21992 -24.9035 23.6053 TIMING: 232800 CPU: 735.16, 0.00314808/step Wall: 735.16, 0.00314808/step, 4.16876 hours remaining, 231.855469 MB of memory in use. ENERGY: 232800 4034.0280 20480.3854 14436.7360 243.1827 -203657.1312 2977.1460 0.0000 0.0000 51958.4278 -109527.2252 298.6058 -161485.6530 -109166.2265 298.8628 -44.1056 -22.6419 762438.3456 17.4236 17.4281 PRESSURE: 233000 -196.907 13.9933 -105.635 13.9943 -126.865 -156.925 -105.633 -156.925 -153.493 GPRESSURE: 233000 -192.314 -22.3061 -46.8076 80.4777 -33.8397 -156.26 -83.9882 -141.159 -153.306 PRESSAVG: 233000 -61.0089 33.3083 1.17456 33.3083 41.7091 15.9591 1.17453 15.9591 -20.182 GPRESSAVG: 233000 -61.4903 31.5573 2.36281 35.3221 42.5311 16.6626 -0.0999639 13.5489 -20.3312 TIMING: 233000 CPU: 735.788, 0.00313703/step Wall: 735.788, 0.00313703/step, 4.15395 hours remaining, 231.855469 MB of memory in use. ENERGY: 233000 3995.4983 20556.1215 14408.7309 249.2442 -203201.1735 2538.9049 0.0000 0.0000 52118.8198 -109333.8539 299.5276 -161452.6737 -108969.7345 298.8262 -159.0885 -126.4865 763871.1522 -13.1606 -13.0968 PRESSURE: 233200 146.219 -111.963 325.384 -111.962 160.396 -142.648 325.384 -142.647 73.4775 GPRESSURE: 233200 178.833 -128.974 303.015 -103.856 255.778 -165.323 311.808 -90.0659 52.873 PRESSAVG: 233200 14.7298 1.40642 14.7622 1.40639 -20.7169 8.00261 14.7622 8.00265 -2.60936 GPRESSAVG: 233200 13.8461 2.51176 13.578 -1.00361 -20.0855 9.62417 16.7781 9.85944 -2.57283 TIMING: 233200 CPU: 736.415, 0.00313822/step Wall: 736.415, 0.00313822/step, 4.15536 hours remaining, 231.843750 MB of memory in use. ENERGY: 233200 3957.6846 20392.5606 14489.7661 239.8519 -203001.7552 2322.6674 0.0000 0.0000 52298.6626 -109300.5619 300.5611 -161599.2245 -108932.7890 299.4930 126.6974 162.4946 760057.3159 -2.8655 -2.9374 PRESSURE: 233400 -293.818 104.652 101.493 104.652 -258.795 51.7878 101.492 51.7901 -381.643 GPRESSURE: 233400 -262.341 98.5537 9.53083 103.787 -261.752 -4.92279 50.0893 98.7333 -333.107 PRESSAVG: 233400 -2.92958 -22.8742 1.61804 -22.8741 -21.7885 34.2411 1.61806 34.2412 12.8641 GPRESSAVG: 233400 -2.09497 -23.649 2.61463 -21.5966 -22.8219 32.4509 -2.48463 37.2688 13.1485 TIMING: 233400 CPU: 737.045, 0.00314621/step Wall: 737.045, 0.00314621/step, 4.16576 hours remaining, 231.843750 MB of memory in use. ENERGY: 233400 3946.9097 20497.9800 14519.5627 250.3208 -202695.5220 2149.9841 0.0000 0.0000 52110.9036 -109219.8611 299.4821 -161330.7646 -108862.7521 298.9878 -311.4188 -285.7335 762253.1779 -3.9513 -3.9228 PRESSURE: 233600 38.6291 -166.747 -184.61 -166.749 -69.9422 44.5032 -184.611 44.5029 -18.951 GPRESSURE: 233600 60.0127 -237.805 -131.546 -67.2198 -25.3356 99.4873 -166.78 74.7201 2.08367 PRESSAVG: 233600 2.72586 -32.6048 -28.223 -32.6048 -40.7011 36.9261 -28.223 36.9261 -6.76782 GPRESSAVG: 233600 1.74591 -31.5431 -28.4304 -30.8011 -40.6336 38.0946 -27.0596 35.8604 -6.5279 TIMING: 233600 CPU: 737.673, 0.00314386/step Wall: 737.673, 0.00314386/step, 4.16247 hours remaining, 231.843750 MB of memory in use. ENERGY: 233600 4012.5028 20673.3522 14392.4661 241.8340 -203335.6484 2536.0176 0.0000 0.0000 52122.8417 -109356.6339 299.5507 -161479.4756 -108998.9043 299.6077 -16.7547 12.2536 762170.4767 -14.9143 -15.1385 PRESSURE: 233800 -13.3103 48.5472 118.553 48.548 -236.282 -92.8151 118.552 -92.8149 -421 GPRESSURE: 233800 -5.71663 75.333 -43.169 17.4762 -193.496 -13.3706 199.505 -138.753 -384.001 PRESSAVG: 233800 -4.47687 27.6397 24.8058 27.6397 -1.32679 21.069 24.8057 21.069 -0.438466 GPRESSAVG: 233800 -4.15445 27.4044 23.4218 24.7367 -0.679132 21.0361 25.339 23.184 -1.21204 TIMING: 233800 CPU: 738.301, 0.0031383/step Wall: 738.301, 0.0031383/step, 4.15493 hours remaining, 231.843750 MB of memory in use. ENERGY: 233800 3973.3937 20488.0610 14500.0318 236.4165 -203066.9285 2331.3936 0.0000 0.0000 52298.2384 -109239.3935 300.5587 -161537.6319 -108873.9509 299.1142 -223.5306 -194.4043 763000.9820 -2.0807 -2.0152 PRESSURE: 234000 -85.7949 -181.579 -93.8329 -181.579 300.824 178.37 -93.8333 178.369 -24.1412 GPRESSURE: 234000 -16.2571 -237.791 -61.0028 -116.923 296.873 145.217 -89.6888 101.292 2.67862 PRESSAVG: 234000 47.0818 -9.18167 15.5547 -9.18163 -16.6995 44.0204 15.5546 44.0203 -6.18395 GPRESSAVG: 234000 46.7133 -7.04952 17.7644 -9.31099 -17.1172 43.515 16.3042 39.183 -5.35792 TIMING: 234000 CPU: 738.93, 0.00314549/step Wall: 738.93, 0.00314549/step, 4.16428 hours remaining, 231.843750 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: 234000 3970.9915 20457.6466 14461.5996 243.7836 -203149.0551 2636.8071 0.0000 0.0000 52050.4392 -109327.7874 299.1346 -161378.2266 -108960.0412 299.2223 63.6294 94.4316 762724.8582 8.0661 8.0794 PRESSURE: 234200 106.073 13.0295 131.238 13.0313 62.234 117.967 131.238 117.967 127.7 GPRESSURE: 234200 93.8873 -51.4398 76.8105 -27.1354 69.9116 91.1016 191.463 19.8695 233.74 PRESSAVG: 234200 8.29349 8.16993 -19.9342 8.17001 -6.28214 -27.6564 -19.9342 -27.6564 27.5029 GPRESSAVG: 234200 9.28934 6.4078 -21.8594 7.45272 -6.40866 -28.1417 -20.747 -27.5377 26.4107 TIMING: 234200 CPU: 739.565, 0.0031736/step Wall: 739.565, 0.0031736/step, 4.20132 hours remaining, 232.058594 MB of memory in use. ENERGY: 234200 3986.9007 20684.3094 14468.0923 246.9249 -203174.3893 2648.9678 0.0000 0.0000 51860.6956 -109278.4986 298.0441 -161139.1942 -108926.6543 299.2182 98.6691 132.5131 762365.6650 9.8381 9.7638 PRESSURE: 234400 -203.06 139.442 -103.992 139.442 -147.854 282.783 -103.993 282.783 46.2842 GPRESSURE: 234400 -192.024 162.598 -80.7762 210.023 -99.9158 287.263 -89.0949 379.794 74.0731 PRESSAVG: 234400 36.4315 10.2981 20.0039 10.2981 -1.48283 26.6545 20.0039 26.6545 -15.3791 GPRESSAVG: 234400 35.9611 10.3379 20.5396 11.5895 -0.939523 28.2601 20.9365 26.9319 -15.3351 TIMING: 234400 CPU: 740.19, 0.00312641/step Wall: 740.19, 0.00312641/step, 4.13867 hours remaining, 232.058594 MB of memory in use. ENERGY: 234400 4018.0649 20521.6851 14467.9505 235.5050 -203455.7611 2778.7404 0.0000 0.0000 52106.5356 -109327.2796 299.4570 -161433.8152 -108978.6017 299.0503 -101.5432 -72.6222 762092.3708 6.5232 6.5622 PRESSURE: 234600 -200.207 85.8457 207.592 85.8456 -269.471 -85.903 207.592 -85.9033 -79.3849 GPRESSURE: 234600 -185.678 35.5296 172.456 6.05715 -247.331 -51.9391 231.661 -53.7902 -38.4111 PRESSAVG: 234600 -22.5416 56.7725 -39.7058 56.7724 -2.79455 15.575 -39.7057 15.575 -9.1049 GPRESSAVG: 234600 -22.4347 58.2006 -39.822 56.0116 -4.31514 16.5158 -40.7177 16.5169 -7.64474 TIMING: 234600 CPU: 740.827, 0.00318322/step Wall: 740.827, 0.00318322/step, 4.2137 hours remaining, 232.261719 MB of memory in use. ENERGY: 234600 4019.7357 20660.8812 14491.3806 262.1809 -203224.9683 2571.2471 0.0000 0.0000 51996.3423 -109223.2006 298.8237 -161219.5429 -108863.3112 299.7004 -183.0209 -157.1403 762241.1163 -11.4804 -11.4649 PRESSURE: 234800 14.7023 157.217 30.6234 157.218 91.6458 210.9 30.6237 210.9 -342.313 GPRESSURE: 234800 7.94109 155.422 86.3027 33.0571 160.931 170.222 58.9739 257.526 -309.265 PRESSAVG: 234800 -41.2714 25.1162 -38.098 25.1163 -3.35679 40.3126 -38.0979 40.3126 -15.5825 GPRESSAVG: 234800 -40.8624 23.9273 -37.1734 26.2404 -2.58551 40.0865 -37.9961 38.2281 -16.6209 TIMING: 234800 CPU: 741.454, 0.00313558/step Wall: 741.454, 0.00313558/step, 4.15047 hours remaining, 232.261719 MB of memory in use. ENERGY: 234800 3985.2595 20490.9273 14411.3259 252.2319 -203199.2580 2606.6825 0.0000 0.0000 51856.6820 -109596.1488 298.0211 -161452.8309 -109220.9386 299.2276 -78.6551 -46.7974 761990.1125 -20.0702 -20.0229 PRESSURE: 235000 255.151 53.8267 86.5338 53.8252 -395.216 118.848 86.5337 118.849 -371.664 GPRESSURE: 235000 294.269 161.503 94.1588 -142.839 -333.555 108.488 101.118 20.8572 -398.045 PRESSAVG: 235000 -26.719 -63.6839 14.6418 -63.6839 23.8375 17.8042 14.6417 17.8041 -12.6462 GPRESSAVG: 235000 -28.5534 -64.3674 13.8487 -63.3323 25.2523 15.2451 13.3882 18.9821 -13.0107 TIMING: 235000 CPU: 742.08, 0.00313295/step Wall: 742.08, 0.00313295/step, 4.14681 hours remaining, 232.261719 MB of memory in use. ENERGY: 235000 3997.8880 20439.4382 14527.5728 266.1149 -203624.7337 2717.2904 0.0000 0.0000 51941.7551 -109734.6744 298.5100 -161676.4295 -109371.2124 298.3689 -170.5764 -145.7771 762294.4848 -5.1759 -5.4373 PRESSURE: 235200 -175.826 -126.767 73.2803 -126.767 -110.172 -335.703 73.2799 -335.701 -178.998 GPRESSURE: 235200 -141.637 -9.64474 92.8814 26.0462 -171.7 -276.872 177.124 -291.186 -91.1591 PRESSAVG: 235200 -29.2399 -44.723 5.62687 -44.723 12.3634 -19.0372 5.62683 -19.0372 17.4436 GPRESSAVG: 235200 -26.7227 -44.9556 6.41674 -44.4928 10.0024 -19.2622 4.34919 -18.1636 18.0029 TIMING: 235200 CPU: 742.706, 0.00312548/step Wall: 742.706, 0.00312548/step, 4.13675 hours remaining, 232.261719 MB of memory in use. ENERGY: 235200 4017.3778 20441.4299 14489.9126 245.1096 -203336.4069 2586.2223 0.0000 0.0000 51770.1455 -109786.2093 297.5237 -161556.3548 -109419.8448 298.2008 -154.9987 -134.8321 763643.7665 0.1890 0.4275 PRESSURE: 235400 -276.256 4.82488 232.611 4.82529 -123.308 -183.957 232.61 -183.958 -82.7924 GPRESSURE: 235400 -158.569 124.605 153.543 -38.6118 -110.139 -136.119 206.888 -173.726 -128.342 PRESSAVG: 235400 21.8035 -1.39703 41.5141 -1.39704 -18.9762 62.7657 41.514 62.7657 16.1357 GPRESSAVG: 235400 21.4294 -0.00658619 40.6985 -3.29743 -18.0321 64.5996 43.3383 60.1449 15.9324 TIMING: 235400 CPU: 743.334, 0.00314204/step Wall: 743.334, 0.00314204/step, 4.15848 hours remaining, 232.261719 MB of memory in use. ENERGY: 235400 4053.7506 20417.5744 14512.8412 268.5799 -203573.3115 2736.6742 0.0000 0.0000 52055.9387 -109527.9525 299.1662 -161583.8912 -109166.7981 298.4241 -160.7853 -132.3503 762725.3023 6.3210 6.4432 PRESSURE: 235600 42.9702 -80.1169 -60.1146 -80.1172 -127.186 188.401 -60.1143 188.401 -58.7338 GPRESSURE: 235600 59.1904 -203.533 -12.5536 -27.2595 -17.0519 165.862 -59.4256 263.661 -101.739 PRESSAVG: 235600 53.9421 -41.3259 19.4355 -41.3259 -44.1047 14.0044 19.4355 14.0043 15.8809 GPRESSAVG: 235600 52.7139 -43.0782 19.4347 -38.6418 -43.25 13.332 18.1288 17.093 15.8355 TIMING: 235600 CPU: 743.967, 0.00316649/step Wall: 743.967, 0.00316649/step, 4.19068 hours remaining, 232.261719 MB of memory in use. ENERGY: 235600 3989.6191 20573.9718 14463.2408 239.8116 -203603.2675 2652.4391 0.0000 0.0000 52309.2317 -109374.9533 300.6219 -161684.1850 -109010.8489 298.9551 -47.6499 -19.8670 762348.5486 8.5728 8.4331 PRESSURE: 235800 565.419 -88.8403 61.2904 -88.8398 -1.16729 3.9309 61.2899 3.93122 233.169 GPRESSURE: 235800 588.173 -122.515 43.5043 -106.353 90.2617 1.57044 153.087 68.0311 237.595 PRESSAVG: 235800 87.0102 -41.9717 0.281493 -41.9716 -100.162 2.63497 0.281508 2.63505 6.14432 GPRESSAVG: 235800 87.9662 -40.7945 -0.778617 -44.7242 -100.951 1.70441 0.626747 2.06995 5.80889 TIMING: 235800 CPU: 744.602, 0.00317508/step Wall: 744.602, 0.00317508/step, 4.20187 hours remaining, 232.261719 MB of memory in use. ENERGY: 235800 3911.4130 20490.4279 14472.5298 255.5395 -203546.7860 3008.7961 0.0000 0.0000 52008.9862 -109399.0937 298.8964 -161408.0798 -109043.4658 299.0299 265.8070 305.3434 762720.3214 -2.3359 -2.3921 PRESSURE: 236000 256.763 -2.11294 -249.697 -2.11256 -103.804 -138.184 -249.698 -138.184 109.911 GPRESSURE: 236000 209.43 -24.4196 -281.583 -30.9321 27.1771 -56.9715 -116.632 -7.49548 141.894 PRESSAVG: 236000 17.6198 -28.0355 -27.1572 -28.0356 -25.2312 37.3729 -27.1573 37.373 21.8857 GPRESSAVG: 236000 14.8121 -26.3189 -26.9953 -28.8211 -23.5706 37.3311 -25.369 38.6322 23.231 TIMING: 236000 CPU: 745.23, 0.00313888/step Wall: 745.23, 0.00313888/step, 4.15379 hours remaining, 232.261719 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: 236000 4054.5613 20296.0187 14436.4356 242.4751 -203505.4145 2718.2443 0.0000 0.0000 52225.0362 -109532.6432 300.1380 -161757.6794 -109167.1005 298.6399 87.6233 126.1669 762103.6597 4.7581 4.8241 PRESSURE: 236200 16.9846 -136.059 6.85578 -136.059 439.933 131.346 6.85527 131.346 142.525 GPRESSURE: 236200 99.6925 -161.461 103.65 -262.399 439.207 51.3104 -30.2475 -61.499 158.748 PRESSAVG: 236200 20.8136 20.4156 -45.2741 20.4156 3.49743 19.2049 -45.274 19.2049 -0.375304 GPRESSAVG: 236200 21.7573 19.1229 -45.5491 20.5862 3.29735 19.9485 -43.2075 17.1526 -1.26834 TIMING: 236200 CPU: 745.857, 0.00313681/step Wall: 745.857, 0.00313681/step, 4.15087 hours remaining, 232.261719 MB of memory in use. ENERGY: 236200 3966.9873 20450.9809 14442.5499 241.7700 -203629.7922 2739.7476 0.0000 0.0000 51963.6003 -109824.1562 298.6355 -161787.7565 -109457.1009 298.4373 199.8141 232.5492 761166.4225 7.9786 7.9288 LDB: ============= START OF LOAD BALANCING ============== 758.388 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 758.388 LDB: =============== DONE WITH MIGRATION ================ 758.39 LDB: ============= START OF LOAD BALANCING ============== 758.703 LDB: Largest compute 7026 load 0.030722 is 15.8% of average load 0.194950 LDB: Average compute 0.004363 is 2.2% of average load 0.194950 LDB: TIME 758.707 LOAD: AVG 0.19495 MAX 0.214582 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.113 MB LDB: TIME 758.707 LOAD: AVG 0.19495 MAX 0.214582 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.316 MB LDB: TIME 758.707 LOAD: AVG 0.19495 MAX 0.214582 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.316 MB LDB: ============== END OF LOAD BALANCING =============== 758.709 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 758.714 PRESSURE: 236400 -90.0283 -200.15 -165.176 -200.149 -175.12 -117.935 -165.176 -117.935 -464.29 GPRESSURE: 236400 -121.893 -138.244 -236.77 -259.489 -134.237 -123.324 -204.314 -135.262 -415.647 PRESSAVG: 236400 -16.7933 -1.46665 72.5428 -1.46658 19.5481 32.1666 72.5428 32.1665 -0.497361 GPRESSAVG: 236400 -16.2531 -0.799008 73.6867 -2.30614 17.8232 32.5957 68.7035 32.3471 0.578935 TIMING: 236400 CPU: 746.497, 0.00319956/step Wall: 746.497, 0.00319956/step, 4.23373 hours remaining, 231.343750 MB of memory in use. ENERGY: 236400 3980.1229 20419.5475 14420.7452 251.2730 -203048.8574 2417.3116 0.0000 0.0000 51912.3952 -109647.4620 298.3412 -161559.8572 -109277.3754 298.7016 -243.1461 -223.9256 761183.5366 0.7525 0.7164 PRESSURE: 236600 243.633 37.8407 -138.229 37.8403 -70.4192 38.3667 -138.229 38.3671 -181.912 GPRESSURE: 236600 270.119 43.9104 -151.483 57.2538 70.8185 55.5152 -50.2845 56.2273 -239.944 PRESSAVG: 236600 1.64982 -32.0368 46.9937 -32.0368 -1.26718 -26.8175 46.9938 -26.8174 36.4944 GPRESSAVG: 236600 2.86318 -34.9366 46.9646 -29.01 0.0434261 -28.4259 47.8889 -24.6932 33.9015 TIMING: 236600 CPU: 747.124, 0.00313419/step Wall: 747.124, 0.00313419/step, 4.14705 hours remaining, 231.605469 MB of memory in use. ENERGY: 236600 3934.7892 20538.8062 14394.9451 255.4006 -203728.5750 2757.6958 0.0000 0.0000 52169.6020 -109677.3360 299.8194 -161846.9381 -109314.6505 298.8160 -2.8996 33.6646 760965.2626 12.2924 12.2694 PRESSURE: 236800 -258.348 -36.9305 -125.061 -36.9292 94.6351 -88.1455 -125.062 -88.1452 186.992 GPRESSURE: 236800 -188.094 -11.438 -119.445 -2.29939 88.4827 -134.126 -72.1144 6.22093 211.182 PRESSAVG: 236800 20.0321 29.5917 10.8648 29.5917 -15.9699 76.2223 10.8648 76.2223 -11.6623 GPRESSAVG: 236800 19.2171 32.3549 10.7094 29.8119 -16.1693 76.3824 11.3034 73.7726 -10.4933 TIMING: 236800 CPU: 747.75, 0.00313113/step Wall: 747.75, 0.00313113/step, 4.14283 hours remaining, 231.605469 MB of memory in use. ENERGY: 236800 3910.9798 20513.9926 14423.2952 251.0990 -203433.2710 2438.0757 0.0000 0.0000 51999.1848 -109896.6439 298.8400 -161895.8287 -109529.3033 298.3086 7.7600 37.1902 761192.3160 -2.5334 -2.4818 PRESSURE: 237000 -257.61 -98.679 168.988 -98.68 -44.4181 28.8221 168.987 28.8222 -451.5 GPRESSURE: 237000 -269.349 -185.044 192.916 -53.409 4.2983 93.7505 75.2217 99.665 -408.125 PRESSAVG: 237000 -12.1437 24.2756 -3.02845 24.2757 40.8689 64.1593 -3.02843 64.1593 0.436755 GPRESSAVG: 237000 -12.7241 23.6646 -3.47987 23.0323 40.8625 63.7421 -4.25022 66.3108 0.636533 TIMING: 237000 CPU: 748.377, 0.0031341/step Wall: 748.377, 0.0031341/step, 4.14659 hours remaining, 231.625000 MB of memory in use. ENERGY: 237000 4002.0965 20370.5528 14414.6399 236.2455 -203354.4756 2587.1070 0.0000 0.0000 52054.6763 -109689.1576 299.1589 -161743.8339 -109328.8326 298.0935 -251.1759 -224.3918 761886.3601 9.7207 9.5916 PRESSURE: 237200 79.6312 -43.3562 214.444 -43.3563 -339.397 176.498 214.444 176.499 -310.464 GPRESSURE: 237200 103.361 -82.9771 191.055 23.1609 -338.655 232.171 226.817 168.735 -238.306 PRESSAVG: 237200 17.1498 16.8983 8.76395 16.8982 4.16224 49.1741 8.76403 49.1742 -28.4436 GPRESSAVG: 237200 17.9492 17.6095 9.68773 15.5177 2.74036 48.6782 8.14284 48.5836 -27.857 TIMING: 237200 CPU: 749.003, 0.00313006/step Wall: 749.003, 0.00313006/step, 4.14107 hours remaining, 231.625000 MB of memory in use. ENERGY: 237200 4032.5207 20441.6722 14441.9699 240.8913 -203364.1708 2736.8035 0.0000 0.0000 51984.3841 -109485.9290 298.7550 -161470.3131 -109128.9983 298.5984 -190.0765 -157.8666 760671.7475 -2.3772 -2.3891 PRESSURE: 237400 -133.645 -27.064 76.2244 -27.0641 -13.8372 71.6549 76.2248 71.6548 -337.247 GPRESSURE: 237400 -88.6161 -29.722 48.2162 -176.706 15.1232 8.88608 17.5352 66.2421 -344.542 PRESSAVG: 237400 2.96012 2.33043 0.380589 2.33042 54.9829 84.4012 0.380526 84.4011 0.486028 GPRESSAVG: 237400 3.34701 1.26386 0.122647 4.06181 54.1992 84.1088 2.21916 82.8748 0.596425 TIMING: 237400 CPU: 749.628, 0.00312394/step Wall: 749.628, 0.00312394/step, 4.1328 hours remaining, 231.625000 MB of memory in use. ENERGY: 237400 4058.8995 20610.8873 14437.5475 257.2574 -203468.9874 2847.6439 0.0000 0.0000 52024.8266 -109231.9253 298.9874 -161256.7518 -108873.4290 299.1952 -161.5764 -139.3450 761393.3032 19.4763 19.3809 PRESSURE: 237600 198.739 -25.5927 -209.46 -25.5928 -341.609 -106.34 -209.46 -106.341 -262.264 GPRESSURE: 237600 217.949 -10.4919 -162.249 -110.187 -289.053 -64.8026 -42.2463 -20.6392 -233.964 PRESSAVG: 237600 27.3861 57.7004 -0.596421 57.7004 14.8016 20.9617 -0.596456 20.9619 3.59238 GPRESSAVG: 237600 27.3301 57.4267 -0.93377 59.5085 14.484 23.0815 -2.71817 21.011 4.14257 TIMING: 237600 CPU: 750.253, 0.00312313/step Wall: 750.253, 0.00312313/step, 4.13156 hours remaining, 231.625000 MB of memory in use. ENERGY: 237600 4000.0780 20623.8048 14450.1999 226.4863 -203108.6545 2557.4413 0.0000 0.0000 51977.3527 -109273.2916 298.7146 -161250.6442 -108914.5469 299.4040 -135.0446 -101.6893 761910.6008 15.2600 15.3189 PRESSURE: 237800 -64.4749 167.291 142.975 167.292 -313.513 152.004 142.975 152.003 -189.681 GPRESSURE: 237800 -85.1805 204.662 151.444 197.63 -203.967 183.964 8.08056 166.426 -190.262 PRESSAVG: 237800 -17.0132 44.1148 -24.3836 44.1147 -16.265 47.3383 -24.3836 47.3383 5.17024 GPRESSAVG: 237800 -16.654 46.0187 -25.4338 42.2453 -14.9871 47.096 -21.1293 48.7426 3.58987 TIMING: 237800 CPU: 750.878, 0.00312902/step Wall: 750.878, 0.00312902/step, 4.13917 hours remaining, 231.625000 MB of memory in use. ENERGY: 237800 3993.5224 20670.1292 14476.8128 243.1112 -203433.1729 2679.4362 0.0000 0.0000 51955.4483 -109414.7128 298.5887 -161370.1611 -109053.9471 298.9624 -189.2229 -159.8030 762208.0698 -9.3693 -9.3504 PRESSURE: 238000 291.546 192.469 192.865 192.47 -12.0084 -27.9612 192.867 -27.9613 -468.717 GPRESSURE: 238000 312.071 110.027 123.327 145.41 42.6299 15.2247 179.841 -39.6612 -459.338 PRESSAVG: 238000 73.3428 4.6707 60.5617 4.67073 -40.0758 27.4486 60.5616 27.4486 19.9475 GPRESSAVG: 238000 72.2653 3.33766 60.613 3.70428 -40.2812 26.0167 57.4214 26.7386 20.5139 TIMING: 238000 CPU: 751.507, 0.00314038/step Wall: 751.507, 0.00314038/step, 4.15402 hours remaining, 231.625000 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: 238000 3953.6060 20540.1942 14478.0634 249.5282 -203568.1360 2518.0543 0.0000 0.0000 52042.0425 -109786.6475 299.0863 -161828.6899 -109422.4640 299.0259 -63.0598 -34.8793 760664.1930 17.7382 17.4993 PRESSURE: 238200 -52.9319 -124.177 -112.166 -124.178 155.908 35.0183 -112.167 35.0193 9.74007 GPRESSURE: 238200 49.1332 -78.7006 -128.595 -35.9606 156.19 -29.8478 18.4727 105.851 -7.00484 PRESSAVG: 238200 -6.47235 27.7694 26.1519 27.7694 21.9995 58.7258 26.152 58.7258 -14.3622 GPRESSAVG: 238200 -5.86336 26.5517 28.5815 30.8386 21.9822 57.7534 27.4302 59.1768 -15.2131 TIMING: 238200 CPU: 752.137, 0.00315236/step Wall: 752.137, 0.00315236/step, 4.1697 hours remaining, 231.613281 MB of memory in use. ENERGY: 238200 4007.8062 20577.6780 14527.8295 254.6659 -203493.0739 2814.2013 0.0000 0.0000 51913.4868 -109397.4063 298.3475 -161310.8932 -109040.0084 298.5980 37.5722 66.1061 761972.4769 0.3883 0.3019 PRESSURE: 238400 -143.302 -115.989 -78.557 -115.989 152.807 201.678 -78.5573 201.677 199.56 GPRESSURE: 238400 -90.7771 -172.424 -104.566 -119.82 190.049 135.307 -94.148 242.119 204.085 PRESSAVG: 238400 -12.5906 16.9203 21.1601 16.9203 -24.8452 69.4489 21.1601 69.4489 3.30141 GPRESSAVG: 238400 -12.687 17.7131 20.3765 14.5857 -25.1181 70.5645 21.7176 69.3139 3.9687 TIMING: 238400 CPU: 752.767, 0.00314835/step Wall: 752.767, 0.00314835/step, 4.16422 hours remaining, 231.613281 MB of memory in use. ENERGY: 238400 4000.0816 20507.3709 14484.1432 249.8520 -203662.7652 2979.0886 0.0000 0.0000 51931.0907 -109511.1383 298.4487 -161442.2290 -109146.1399 298.5583 69.6881 101.1192 763387.8856 -11.3782 -11.2788 PRESSURE: 238600 334.765 87.4077 -113.16 87.4082 327.492 82.5451 -113.161 82.5452 125.651 GPRESSURE: 238600 360.211 -59.5491 -109.887 73.5733 402.115 72.652 -111.269 30.8945 121.172 PRESSAVG: 238600 7.51203 -27.086 -3.32012 -27.086 12.0439 41.0559 -3.32015 41.0558 -16.7864 GPRESSAVG: 238600 9.30694 -27.6553 -5.46419 -25.6735 11.0724 43.2261 -3.90315 39.0056 -17.2849 TIMING: 238600 CPU: 753.397, 0.00314967/step Wall: 753.397, 0.00314967/step, 4.16578 hours remaining, 231.613281 MB of memory in use. ENERGY: 238600 4036.7505 20366.4142 14472.4505 219.6569 -203363.6634 2808.9942 0.0000 0.0000 52031.8122 -109427.5850 299.0275 -161459.3972 -109064.8949 298.7837 262.6359 294.4992 761342.0497 0.9232 1.0315 PRESSURE: 238800 -192.424 -108.326 50.882 -108.326 -198.405 18.8375 50.8826 18.8363 -252.057 GPRESSURE: 238800 -140.774 -152.619 77.5231 -58.6774 -165.819 27.4209 24.5902 86.385 -270.869 PRESSAVG: 238800 32.676 -4.8978 6.86324 -4.8978 -49.6002 -8.87605 6.86325 -8.87617 16.8421 GPRESSAVG: 238800 30.3579 -3.81288 7.93835 -4.97452 -47.4196 -11.8502 6.20406 -7.31366 16.8225 TIMING: 238800 CPU: 754.023, 0.00313109/step Wall: 754.023, 0.00313109/step, 4.14103 hours remaining, 231.613281 MB of memory in use. ENERGY: 238800 3950.6048 20457.4984 14456.5651 253.9208 -203140.4728 2468.9008 0.0000 0.0000 51933.9248 -109619.0582 298.4650 -161552.9830 -109250.7179 299.1198 -214.2952 -192.4872 762438.4548 -0.0274 -0.0797 PRESSURE: 239000 17.278 23.685 29.0361 23.6848 340.026 -139.618 29.0358 -139.618 271.264 GPRESSURE: 239000 119.723 25.2516 -2.71637 16.4687 342.473 -61.5956 192.377 -111.802 245.545 PRESSAVG: 239000 13.3225 19.2988 37.9323 19.2988 -15.1996 10.4912 37.9324 10.4912 17.9574 GPRESSAVG: 239000 14.4387 18.4833 38.5232 18.8027 -16.2826 11.7561 38.2136 10.7239 18.0599 TIMING: 239000 CPU: 754.653, 0.00315011/step Wall: 754.653, 0.00315011/step, 4.16602 hours remaining, 231.613281 MB of memory in use. ENERGY: 239000 3953.9838 20609.3106 14492.3225 243.3048 -203997.4721 3056.3191 0.0000 0.0000 52081.8038 -109560.4275 299.3148 -161642.2313 -109196.5670 298.8157 209.5226 235.9139 760832.2411 5.3601 5.4053 PRESSURE: 239200 265.711 20.4756 -194.951 20.4764 435.469 -52.7134 -194.949 -52.7132 200.435 GPRESSURE: 239200 321.294 29.4665 -146.343 -8.78431 488.275 -70.4908 -240.37 -97.2546 180.327 PRESSAVG: 239200 -27.7135 15.4802 -1.85747 15.4802 53.9036 3.26782 -1.85739 3.26769 -7.13399 GPRESSAVG: 239200 -26.6248 15.0194 -1.92333 17.571 52.3597 4.154 -0.965025 1.95311 -6.03343 TIMING: 239200 CPU: 755.281, 0.00314156/step Wall: 755.281, 0.00314156/step, 4.15454 hours remaining, 231.613281 MB of memory in use. ENERGY: 239200 3950.4793 20532.9892 14467.1937 278.5258 -203670.9891 2797.4030 0.0000 0.0000 51875.0726 -109769.3255 298.1268 -161644.3981 -109415.0511 298.6381 300.5386 329.9654 760018.1237 6.3520 6.5672 PRESSURE: 239400 -65.7129 15.7139 -94.7184 15.7154 -38.7368 148.457 -94.718 148.456 238.299 GPRESSURE: 239400 -39.594 77.031 -14.6369 20.5309 33.5099 132.23 -196.254 225.666 224.488 PRESSAVG: 239400 16.8159 24.1283 -14.9418 24.1283 -33.3886 36.2438 -14.9417 36.2438 0.350912 GPRESSAVG: 239400 16.9144 25.3442 -14.933 23.0605 -32.8162 35.3188 -16.8931 35.6109 0.050527 TIMING: 239400 CPU: 755.912, 0.00315224/step Wall: 755.912, 0.00315224/step, 4.16848 hours remaining, 231.613281 MB of memory in use. ENERGY: 239400 4052.8799 20560.1607 14458.3445 231.1614 -203762.1334 2767.9710 0.0000 0.0000 51911.5752 -109780.0407 298.3365 -161691.6159 -109414.7572 298.8566 44.6165 72.8012 762080.0558 -5.4073 -5.2837 PRESSURE: 239600 7.83821 -64.538 -203.318 -64.5386 68.6903 -36.0896 -203.319 -36.0889 110.438 GPRESSURE: 239600 117.822 65.8918 -117.598 -51.4897 51.5526 -47.3675 -265.05 4.3744 100.585 PRESSAVG: 239600 10.519 15.5418 -5.42539 15.5419 -9.55777 60.2553 -5.42531 60.2554 3.18572 GPRESSAVG: 239600 9.63689 15.8289 -5.69096 14.782 -9.27211 58.2003 -6.47519 62.7213 3.56558 TIMING: 239600 CPU: 756.54, 0.00314169/step Wall: 756.54, 0.00314169/step, 4.15436 hours remaining, 231.613281 MB of memory in use. ENERGY: 239600 3971.8187 20465.6754 14451.3841 225.2742 -203932.0016 2998.7331 0.0000 0.0000 52253.2061 -109565.9099 300.2999 -161819.1160 -109210.9749 298.5275 62.3223 89.9868 761687.1306 1.3823 1.3101 PRESSURE: 239800 -264.911 281.07 -7.24787 281.07 -299.231 146.93 -7.24768 146.93 -258.445 GPRESSURE: 239800 -228.03 110.185 34.7601 296.678 -191.007 177.717 -20.7962 259.05 -307.774 PRESSAVG: 239800 54.7834 34.3196 -40.5644 34.3196 -57.2718 15.9051 -40.5645 15.9052 -39.0393 GPRESSAVG: 239800 54.4665 31.8973 -41.1774 35.2907 -57.3672 18.1921 -38.4464 15.9658 -39.0221 TIMING: 239800 CPU: 757.168, 0.00314172/step Wall: 757.168, 0.00314172/step, 4.15423 hours remaining, 231.613281 MB of memory in use. ENERGY: 239800 3987.3045 20457.8103 14521.7076 258.6410 -203382.1865 2609.4041 0.0000 0.0000 51805.2840 -109742.0349 297.7257 -161547.3189 -109375.3842 298.9110 -274.1958 -242.2704 762101.5679 -13.8426 -13.9743 PRESSURE: 240000 -159.963 -9.8903 -4.80681 -9.89025 -190.726 -33.1544 -4.80736 -33.1549 -238.003 GPRESSURE: 240000 -110.437 138.87 8.43497 16.0077 -148.862 68.7562 32.2298 10.0059 -246.18 PRESSAVG: 240000 -58.1492 -24.0811 -22.7884 -24.0811 -35.7199 63.3934 -22.7883 63.3934 0.822727 GPRESSAVG: 240000 -57.6929 -20.0054 -21.6565 -24.0978 -36.2188 63.3073 -22.2856 63.9787 0.677277 TIMING: 240000 CPU: 757.795, 0.00313137/step Wall: 757.795, 0.00313137/step, 4.14036 hours remaining, 231.625000 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: 240000 3988.6207 20538.7812 14488.3156 261.2798 -203513.1495 2694.2382 0.0000 0.0000 52017.3530 -109524.5611 298.9444 -161541.9141 -109172.7109 298.4032 -196.2310 -168.4930 763840.5681 -31.0155 -31.0781 PRESSURE: 240200 74.6579 -62.364 -37.0553 -62.3641 126.927 -80.8928 -37.056 -80.8925 -35.4583 GPRESSURE: 240200 136.698 -107.041 -68.5443 -30.2807 178.901 -199.188 -16.5419 -56.3675 -66.012 PRESSAVG: 240200 -15.0914 -20.8679 -15.5516 -20.868 -24.2316 -26.012 -15.5516 -26.0119 16.8163 GPRESSAVG: 240200 -15.6703 -23.2867 -14.9663 -20.2913 -23.5196 -27.3698 -16.8624 -27.9178 16.8311 TIMING: 240200 CPU: 758.428, 0.0031673/step Wall: 758.428, 0.0031673/step, 4.1877 hours remaining, 231.625000 MB of memory in use. ENERGY: 240200 4016.8522 20471.2499 14496.9776 243.3321 -203940.7448 2953.0774 0.0000 0.0000 51956.3801 -109802.8755 298.5940 -161759.2556 -109438.8816 298.6715 55.3757 83.1958 761643.8390 -7.5022 -7.4530 LDB: ============= START OF LOAD BALANCING ============== 770.959 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 770.96 LDB: =============== DONE WITH MIGRATION ================ 770.961 LDB: ============= START OF LOAD BALANCING ============== 771.274 LDB: Largest compute 7031 load 0.030121 is 15.4% of average load 0.195049 LDB: Average compute 0.004366 is 2.2% of average load 0.195049 LDB: TIME 771.278 LOAD: AVG 0.195049 MAX 0.219307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 230.871 MB LDB: TIME 771.278 LOAD: AVG 0.195049 MAX 0.219307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.871 MB LDB: TIME 771.278 LOAD: AVG 0.195049 MAX 0.216792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 230.871 MB LDB: ============== END OF LOAD BALANCING =============== 771.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 771.285 PRESSURE: 240400 -186.189 112.374 -75.9741 112.375 -210.338 -150.027 -75.9743 -150.027 -453.772 GPRESSURE: 240400 -60.1263 64.7707 -45.6733 93.7121 -266.373 -45.381 -74.5022 -108.769 -436.47 PRESSAVG: 240400 -0.446529 -20.4265 -29.9184 -20.4265 -0.764882 61.0121 -29.9183 61.0121 -27.9379 GPRESSAVG: 240400 0.788597 -18.6404 -29.9613 -21.6742 -2.3179 63.0656 -28.0214 61.3938 -27.6505 TIMING: 240400 CPU: 759.068, 0.0031994/step Wall: 759.068, 0.0031994/step, 4.22996 hours remaining, 232.316406 MB of memory in use. ENERGY: 240400 4002.8886 20553.8303 14501.3746 260.3514 -203186.4162 2323.2736 0.0000 0.0000 51929.4691 -109615.2286 298.4394 -161544.6977 -109255.7856 298.5571 -283.4333 -254.3233 762546.6881 -9.7164 -9.7266 PRESSURE: 240600 105.135 104.44 -262.128 104.441 -10.0114 100.72 -262.128 100.719 -114.998 GPRESSURE: 240600 155.803 65.5807 -139.326 194.14 -6.56755 75.5851 -314.481 53.7914 -90.2794 PRESSAVG: 240600 -26.3567 -22.1818 -36.1763 -22.1817 2.71893 9.96402 -36.1762 9.96398 1.31692 GPRESSAVG: 240600 -26.8858 -23.8494 -37.4569 -20.9204 3.58598 9.35073 -37.0827 11.9988 0.543407 TIMING: 240600 CPU: 759.695, 0.00313575/step Wall: 759.695, 0.00313575/step, 4.14563 hours remaining, 232.316406 MB of memory in use. ENERGY: 240600 3856.9128 20700.7031 14523.8038 245.1510 -203101.6786 2592.6499 0.0000 0.0000 51757.5607 -109424.8974 297.4514 -161182.4581 -109056.2657 298.7583 -6.6248 19.6522 764161.7024 -7.4403 -7.5855 PRESSURE: 240800 19.9489 -70.1075 -77.8277 -70.1073 61.2905 -144.489 -77.8285 -144.49 12.0051 GPRESSURE: 240800 -6.40662 -19.9152 1.0439 -33.8794 151.191 -135.801 -115.228 -87.2666 24.6939 PRESSAVG: 240800 17.2607 -27.3217 15.105 -27.3217 -29.0629 -8.43563 15.105 -8.4356 -16.9697 GPRESSAVG: 240800 16.3295 -25.629 15.2898 -30.8636 -29.6179 -7.64153 14.8326 -10.2402 -16.0783 TIMING: 240800 CPU: 760.327, 0.00316015/step Wall: 760.327, 0.00316015/step, 4.17771 hours remaining, 232.316406 MB of memory in use. ENERGY: 240800 3933.8987 20534.1919 14487.9936 236.6005 -203420.5940 2600.5286 0.0000 0.0000 52356.5083 -109270.8725 300.8936 -161627.3808 -108910.9128 299.0411 31.0815 56.4926 762239.3472 -9.5907 -9.7889 PRESSURE: 241000 -159.676 -120.524 -75.9498 -120.525 -142.486 -85.4191 -75.9511 -85.4189 -49.5996 GPRESSURE: 241000 -78.8283 -94.8811 -78.8906 1.24965 -164.959 -19.001 -151.542 -71.3798 -17.1921 PRESSAVG: 241000 -7.51959 8.16226 -31.2995 8.16225 30.7991 7.40747 -31.2996 7.40747 -6.37772 GPRESSAVG: 241000 -6.55809 8.31532 -31.6522 9.73094 30.2218 6.37696 -30.0785 7.02139 -6.61054 TIMING: 241000 CPU: 760.958, 0.0031559/step Wall: 760.958, 0.0031559/step, 4.17193 hours remaining, 232.316406 MB of memory in use. ENERGY: 241000 4069.0554 20685.7773 14457.8499 255.6172 -203579.1570 2858.1954 0.0000 0.0000 52037.7260 -109214.9359 299.0615 -161252.6618 -108856.0781 299.0370 -117.2540 -86.9930 763698.5800 5.6339 5.6844 PRESSURE: 241200 29.2495 114.932 -145.462 114.932 -76.8449 33.4428 -145.463 33.4431 433.833 GPRESSURE: 241200 189.202 107.399 -81.5906 56.7603 -59.9272 101.136 -175.563 175.16 364.64 PRESSAVG: 241200 9.74416 -20.0803 -31.3136 -20.0803 26.2072 -3.28864 -31.3136 -3.2886 1.99613 GPRESSAVG: 241200 9.15678 -22.4906 -32.7745 -20.2369 26.5667 -3.45912 -32.4653 -1.4861 2.07105 TIMING: 241200 CPU: 761.592, 0.00316638/step Wall: 761.592, 0.00316638/step, 4.18561 hours remaining, 232.316406 MB of memory in use. ENERGY: 241200 4021.9875 20515.3806 14533.2996 244.2811 -203076.7463 2590.3472 0.0000 0.0000 52085.9682 -109085.4822 299.3388 -161171.4504 -108721.7140 299.5536 128.7460 164.6383 760462.3012 12.6492 12.5982 PRESSURE: 241400 159.525 -5.80093 -16.7013 -5.8008 107.441 -64.4735 -16.7018 -64.4722 -186.037 GPRESSURE: 241400 207.767 -99.8739 80.8819 -21.3623 155.43 -57.7328 -0.364818 84.1833 -192.432 PRESSAVG: 241400 34.5358 -28.2711 -80.5441 -28.271 -32.0045 19.3742 -80.5441 19.3743 15.7171 GPRESSAVG: 241400 33.0573 -25.9065 -78.4642 -29.8361 -30.3054 18.9653 -80.5213 17.7143 15.4546 TIMING: 241400 CPU: 762.223, 0.00315676/step Wall: 762.223, 0.00315676/step, 4.17271 hours remaining, 232.316406 MB of memory in use. ENERGY: 241400 3938.2300 20601.4953 14509.5801 252.4305 -203169.8870 2859.8079 0.0000 0.0000 51884.4065 -109123.9367 298.1804 -161008.3432 -108767.5468 299.3759 26.9766 56.9216 764098.7970 6.0828 6.0688 PRESSURE: 241600 122.044 214.551 263.955 214.55 40.0735 307.486 263.956 307.487 -62.4312 GPRESSURE: 241600 235.448 265.773 165.191 199.954 -7.24314 274.59 286.145 208.898 -55.7725 PRESSAVG: 241600 41.9782 15.6609 -45.4756 15.6609 -35.2954 57.9251 -45.4756 57.9251 9.28185 GPRESSAVG: 241600 42.8478 15.8252 -45.4261 18.601 -36.9 57.0368 -46.3007 58.5736 10.386 TIMING: 241600 CPU: 762.851, 0.00314122/step Wall: 762.851, 0.00314122/step, 4.152 hours remaining, 232.316406 MB of memory in use. ENERGY: 241600 3923.2581 20571.7972 14445.0593 244.1240 -203332.0694 2757.9970 0.0000 0.0000 52173.3124 -109216.5214 299.8407 -161389.8338 -108845.6761 299.4333 33.2287 57.4774 762438.7434 5.3215 5.4446 PRESSURE: 241800 -95.0949 47.6523 20.2966 47.6526 40.8737 0.755199 20.2965 0.754798 332.843 GPRESSURE: 241800 -90.2895 18.5836 -76.2782 -78.0651 130.22 47.7894 87.2244 -50.1221 306.639 PRESSAVG: 241800 -18.6327 9.98223 31.2089 9.9822 54.4671 9.57088 31.2089 9.57086 -18.8856 GPRESSAVG: 241800 -18.0134 9.97672 31.2619 5.48744 55.1215 11.2607 33.4681 9.64263 -19.8694 TIMING: 241800 CPU: 763.481, 0.00315002/step Wall: 763.481, 0.00315002/step, 4.16345 hours remaining, 232.316406 MB of memory in use. ENERGY: 241800 3934.9770 20533.5249 14408.9130 268.0799 -203215.5261 2792.3441 0.0000 0.0000 51913.0652 -109364.6220 298.3451 -161277.6872 -108993.1855 298.7269 92.8741 115.5232 764110.0827 5.6496 5.7463 PRESSURE: 242000 -87.7053 65.1662 55.0847 65.165 339.36 -19.4497 55.0847 -19.4489 -168.419 GPRESSURE: 242000 -39.0652 66.2292 57.805 71.0403 386.323 39.9855 117.257 -22.9178 -160.177 PRESSAVG: 242000 -8.53429 12.7234 -21.5311 12.7234 -0.79913 36.3932 -21.5311 36.3933 2.98856 GPRESSAVG: 242000 -10.1778 11.4945 -21.3844 15.5486 -0.898055 36.6384 -23.666 36.7803 4.79419 TIMING: 242000 CPU: 764.107, 0.00312902/step Wall: 764.107, 0.00312902/step, 4.13552 hours remaining, 232.316406 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: 242000 4031.8898 20559.3469 14491.9547 259.3285 -203431.8268 2774.1581 0.0000 0.0000 51932.7084 -109382.4405 298.4580 -161315.1489 -109025.0571 298.9980 27.7451 62.3605 762331.3695 -2.1150 -2.0939 PRESSURE: 242200 -68.8325 94.9259 50.4974 94.926 -33.7403 190.27 50.4967 190.269 -3.54032 GPRESSURE: 242200 -33.7304 173.61 -2.9624 174.529 -62.2278 136.64 182.853 253.033 80.3283 PRESSAVG: 242200 33.58 2.92189 25.5349 2.92182 -6.37517 7.82293 25.535 7.82302 -12.9032 GPRESSAVG: 242200 34.8884 3.66533 24.5523 3.88845 -7.02781 6.74782 27.2612 5.14151 -13.695 TIMING: 242200 CPU: 764.734, 0.00313393/step Wall: 764.734, 0.00313393/step, 4.14184 hours remaining, 232.316406 MB of memory in use. ENERGY: 242200 4039.7088 20468.9716 14429.7713 237.3191 -203526.6102 2820.3742 0.0000 0.0000 52002.3403 -109528.1250 298.8582 -161530.4653 -109165.5363 298.9685 -35.3710 -5.2100 760412.7210 4.7672 4.7219 PRESSURE: 242400 -302.429 43.5438 -90.4723 43.5442 -87.9971 -50.1634 -90.4725 -50.1631 -156.166 GPRESSURE: 242400 -261.809 69.909 35.2585 28.1711 -23.0022 6.25724 -147.806 -31.9216 -169.44 PRESSAVG: 242400 -31.2743 -5.52791 17.8025 -5.52795 51.3524 56.9635 17.8025 56.9634 4.29804 GPRESSAVG: 242400 -32.0992 -7.38393 18.7221 -5.33878 52.7147 56.6445 17.1163 60.3066 3.57667 TIMING: 242400 CPU: 765.365, 0.00315789/step Wall: 765.365, 0.00315789/step, 4.17333 hours remaining, 232.316406 MB of memory in use. ENERGY: 242400 4000.8292 20533.9142 14526.5548 288.9180 -203570.1619 2569.1607 0.0000 0.0000 52086.0633 -109564.7216 299.3393 -161650.7849 -109202.2642 299.0305 -182.1974 -151.4169 760418.7331 8.1254 8.0640 PRESSURE: 242600 203.022 164.828 -158.289 164.827 -241.21 107.848 -158.29 107.849 86.7271 GPRESSURE: 242600 182.47 75.7123 -151.441 150.716 -196.902 18.5075 -132.057 284.818 122.909 PRESSAVG: 242600 -41.3276 -19.6221 50.7828 -19.6221 9.04266 -12.7346 50.7829 -12.7346 -10.9571 GPRESSAVG: 242600 -42.1981 -20.076 52.1585 -19.5812 8.90761 -11.3051 49.8292 -13.7689 -9.47799 TIMING: 242600 CPU: 765.995, 0.00314896/step Wall: 765.995, 0.00314896/step, 4.16135 hours remaining, 232.316406 MB of memory in use. ENERGY: 242600 3940.4019 20528.3478 14539.4916 237.4008 -203257.1069 2489.6853 0.0000 0.0000 52079.6179 -109442.1615 299.3023 -161521.7794 -109075.6019 299.0130 16.1799 36.1589 760754.7010 -14.4140 -14.2561 PRESSURE: 242800 -87.3344 77.8894 -56.026 77.89 -344.927 18.5755 -56.0264 18.576 448.387 GPRESSURE: 242800 -60.036 75.1994 -66.5667 -9.72423 -291.369 -6.52703 5.96897 50.6468 469.884 PRESSAVG: 242800 -23.8382 33.645 -41.0022 33.6451 22.5945 12.5036 -41.0022 12.5037 -3.79563 GPRESSAVG: 242800 -21.5865 33.7844 -40.5798 33.2096 20.8846 11.2346 -39.1496 11.5929 -4.46365 TIMING: 242800 CPU: 766.629, 0.00316854/step Wall: 766.629, 0.00316853/step, 4.18704 hours remaining, 232.316406 MB of memory in use. ENERGY: 242800 4019.7380 20707.8435 14499.0682 256.2105 -203355.2515 2521.1572 0.0000 0.0000 52029.4767 -109321.7574 299.0141 -161351.2341 -108970.4864 299.0134 5.3752 39.4928 760818.6624 -1.6798 -1.7218 PRESSURE: 243000 186.882 -25.07 -199.404 -25.0692 3.85103 52.5824 -199.403 52.5813 136.442 GPRESSURE: 243000 185.75 -10.7678 -229.813 15.6118 61.0071 -55.0758 -241.222 175.679 174.829 PRESSAVG: 243000 -9.46532 7.94844 42.611 7.9484 -9.16137 -1.40028 42.611 -1.40023 -1.17586 GPRESSAVG: 243000 -9.66242 8.2496 43.6973 9.50366 -8.16279 -0.423133 40.4174 -1.34481 -1.44757 TIMING: 243000 CPU: 767.255, 0.00312957/step Wall: 767.255, 0.00312957/step, 4.13538 hours remaining, 232.316406 MB of memory in use. ENERGY: 243000 4012.2083 20561.8036 14479.4037 262.8277 -203788.5977 3024.9738 0.0000 0.0000 52105.9680 -109341.4126 299.4537 -161447.3805 -108986.7488 299.1953 109.0581 140.5285 761546.8824 -6.6008 -6.4243 PRESSURE: 243200 24.1352 306.298 358.485 306.298 35.1204 -172.711 358.486 -172.712 -368.185 GPRESSURE: 243200 46.9176 329.776 359.918 222.522 -32.4764 -198.335 220.879 -157.52 -274.951 PRESSAVG: 243200 41.9325 26.9048 -17.632 26.9048 -43.7126 -17.262 -17.632 -17.2619 -1.94402 GPRESSAVG: 243200 41.3688 27.0416 -19.371 24.8743 -43.4832 -17.9175 -17.0488 -16.2212 -1.55491 TIMING: 243200 CPU: 767.885, 0.00315044/step Wall: 767.885, 0.00315044/step, 4.16278 hours remaining, 232.316406 MB of memory in use. ENERGY: 243200 4009.9475 20585.4471 14527.4728 266.4483 -203207.7406 2667.4943 0.0000 0.0000 52067.8450 -109083.0856 299.2346 -161150.9306 -108724.5343 299.1472 -102.9766 -86.8364 762431.7646 -1.2414 -1.2231 PRESSURE: 243400 -65.2016 44.6701 -116.92 44.6699 389.16 191.661 -116.921 191.659 714.659 GPRESSURE: 243400 69.4454 49.0235 -131.83 -70.4879 390.375 142.161 -72.4181 107.373 666.137 PRESSAVG: 243400 5.23748 -0.741844 -0.59749 -0.741843 1.92551 -10.1424 -0.597443 -10.1423 13.6856 GPRESSAVG: 243400 5.74324 -0.447519 -0.53623 -0.498854 1.76128 -9.7418 0.545561 -11.8299 12.8005 TIMING: 243400 CPU: 768.512, 0.00313582/step Wall: 768.512, 0.00313582/step, 4.14329 hours remaining, 232.316406 MB of memory in use. ENERGY: 243400 3939.7957 20495.5385 14477.8308 238.2309 -203780.4757 2945.4385 0.0000 0.0000 52380.2238 -109303.4174 301.0299 -161683.6413 -108931.4929 299.6937 346.2058 375.3192 761153.0809 6.9495 6.7683 PRESSURE: 243600 -246.033 -16.1105 -38.7251 -16.1104 -296.922 247.971 -38.7253 247.972 -256.968 GPRESSURE: 243600 -281.705 45.8682 -48.7645 -60.1027 -157.881 256.821 39.6618 198.815 -284.618 PRESSAVG: 243600 49.1737 -23.5209 -15.4816 -23.5209 -59.7949 66.2912 -15.4815 66.2912 2.21298 GPRESSAVG: 243600 48.5041 -23.6474 -16.16 -20.9603 -58.7471 64.7956 -14.4756 65.9466 2.1497 TIMING: 243600 CPU: 769.144, 0.00315785/step Wall: 769.144, 0.00315785/step, 4.17222 hours remaining, 232.316406 MB of memory in use. ENERGY: 243600 3963.1765 20583.4373 14450.2129 248.1656 -202970.3900 2579.1939 0.0000 0.0000 51861.4065 -109284.7974 298.0482 -161146.2039 -108919.7505 299.5163 -266.6408 -241.4013 762103.4405 -2.8028 -2.6978 PRESSURE: 243800 -244.043 -363.086 -267.396 -363.085 261.548 55.3443 -267.396 55.3448 338.539 GPRESSURE: 243800 -187.923 -293.527 -278.479 -375.544 308.705 38.8772 -359.228 100.267 331.007 PRESSAVG: 243800 28.559 -33.0499 -17.9282 -33.05 13.4599 14.9071 -17.9282 14.9071 8.43815 GPRESSAVG: 243800 29.6622 -31.7993 -16.9853 -36.2467 12.1536 16.3394 -22.4404 14.9994 8.60585 TIMING: 243800 CPU: 769.774, 0.00314976/step Wall: 769.774, 0.00314976/step, 4.16135 hours remaining, 232.316406 MB of memory in use. ENERGY: 243800 3975.5972 20440.6391 14509.3035 232.4967 -203104.4019 2732.6690 0.0000 0.0000 51956.2645 -109257.4320 298.5934 -161213.6966 -108896.4418 299.7832 118.6811 150.5962 760844.6795 16.8190 16.8072 PRESSURE: 244000 263.247 87.6268 60.942 87.6267 -76.8682 -136.161 60.9431 -136.161 -125.69 GPRESSURE: 244000 251.605 105.145 111.783 170.618 -20.5155 -98.8237 30.0072 -178.157 -91.6576 PRESSAVG: 244000 6.047 -42.6955 -17.9308 -42.6955 13.244 27.125 -17.9308 27.125 -12.698 GPRESSAVG: 244000 5.5281 -42.3214 -17.7915 -41.0903 14.0933 25.2344 -16.0628 29.3609 -12.7205 TIMING: 244000 CPU: 770.408, 0.0031722/step Wall: 770.408, 0.0031722/step, 4.19083 hours remaining, 232.316406 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: 244000 4016.4666 20661.6065 14470.4953 238.8573 -203249.9297 2631.2879 0.0000 0.0000 51995.0487 -109236.1673 298.8163 -161231.2160 -108876.9438 299.4270 20.2296 46.4772 762666.8734 2.1977 2.3003 PRESSURE: 244200 107.066 0.702906 85.0532 0.701814 -140.222 -42.2611 85.0532 -42.2627 71.9668 GPRESSURE: 244200 136.656 81.6066 90.2498 33.8417 -97.9725 -90.135 -30.1684 -21.7885 66.1293 PRESSAVG: 244200 11.8301 9.94366 -6.95379 9.94358 -9.71115 -12.0505 -6.95376 -12.0505 -18.9223 GPRESSAVG: 244200 12.4378 8.75583 -7.23712 11.7115 -10.6568 -11.4713 -6.16925 -12.9168 -18.8722 TIMING: 244200 CPU: 771.04, 0.00316056/step Wall: 771.04, 0.00316056/step, 4.17528 hours remaining, 232.316406 MB of memory in use. ENERGY: 244200 4006.8120 20641.6269 14550.1397 241.3387 -203295.2147 2817.8783 0.0000 0.0000 52022.5015 -109014.9176 298.9740 -161037.4190 -108646.2352 299.5610 12.9370 34.9377 764776.6066 -5.6011 -5.6971 LDB: ============= START OF LOAD BALANCING ============== 783.572 LDB: ============== END OF LOAD BALANCING =============== 783.572 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 783.573 LDB: ============= START OF LOAD BALANCING ============== 783.89 LDB: Largest compute 7026 load 0.030248 is 15.5% of average load 0.195080 LDB: Average compute 0.004363 is 2.2% of average load 0.195080 LDB: TIME 783.894 LOAD: AVG 0.19508 MAX 0.216616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.672 MB LDB: TIME 783.894 LOAD: AVG 0.19508 MAX 0.216616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.672 MB LDB: TIME 783.894 LOAD: AVG 0.19508 MAX 0.216616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.672 MB LDB: ============== END OF LOAD BALANCING =============== 783.896 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 783.901 PRESSURE: 244400 -402.306 114.535 284.24 114.536 52.6051 -226.488 284.24 -226.489 -262.197 GPRESSURE: 244400 -400.26 35.9278 257.284 -60.1177 124.968 -262.121 274.546 -249.055 -248.285 PRESSAVG: 244400 -19.9248 -26.705 46.2046 -26.705 12.328 -15.4794 46.2046 -15.4795 -15.0448 GPRESSAVG: 244400 -19.3362 -26.675 45.1655 -29.2278 12.426 -15.6672 46.8514 -15.3776 -15.668 TIMING: 244400 CPU: 771.685, 0.00322302/step Wall: 771.685, 0.00322302/step, 4.25761 hours remaining, 233.140625 MB of memory in use. ENERGY: 244400 4016.9652 20565.2528 14508.9191 240.3557 -203121.7498 2615.0506 0.0000 0.0000 51994.2285 -109180.9780 298.8115 -161175.2065 -108820.4577 299.7031 -203.9658 -174.5257 764258.7324 -7.5472 -7.5261 PRESSURE: 244600 -364.998 15.9674 18.1432 15.9679 -156.862 -40.4979 18.1428 -40.4974 149.732 GPRESSURE: 244600 -284.642 -32.9643 -1.07478 67.3535 -150.275 -10.5562 68.3963 -47.6348 141.985 PRESSAVG: 244600 1.41903 -38.7799 -15.2919 -38.7799 -7.94297 -33.993 -15.2918 -33.9929 12.0342 GPRESSAVG: 244600 1.84453 -38.8494 -15.2869 -37.15 -8.38075 -33.5913 -14.1018 -33.0268 12.319 TIMING: 244600 CPU: 772.32, 0.00317859/step Wall: 772.32, 0.00317859/step, 4.19874 hours remaining, 233.140625 MB of memory in use. ENERGY: 244600 4085.0310 20588.5066 14506.1644 243.6349 -202870.7581 2360.1143 0.0000 0.0000 52066.3855 -109020.9213 299.2262 -161087.3068 -108668.5491 299.5994 -124.0427 -97.6437 765180.5362 1.8368 1.9276 PRESSURE: 244800 -345.335 -79.5871 -161.684 -79.5871 87.0535 121.888 -161.683 121.888 -2.42861 GPRESSURE: 244800 -306.914 17.2636 -105.868 -51.8276 105.631 121.06 -159.113 53.3262 19.3654 PRESSAVG: 244800 -54.1972 -3.94124 17.0235 -3.94126 21.8233 -4.76022 17.0235 -4.76035 -0.36963 GPRESSAVG: 244800 -55.1092 -3.18349 17.8563 -4.71598 22.397 -4.05838 15.0334 -6.98253 -0.101779 TIMING: 244800 CPU: 772.958, 0.00318599/step Wall: 772.958, 0.00318599/step, 4.20834 hours remaining, 233.140625 MB of memory in use. ENERGY: 244800 4061.3662 20568.3627 14527.1411 252.5903 -203189.9168 2559.0500 0.0000 0.0000 52418.7747 -108802.6318 301.2514 -161221.4066 -108443.8321 299.6554 -86.9035 -60.6392 763774.2732 -10.9145 -10.9380 PRESSURE: 245000 -162.663 59.3883 9.42748 59.3889 15.8179 15.1552 9.42791 15.1556 -295.851 GPRESSURE: 245000 -126.233 -80.7917 -6.76495 130.955 28.7242 116.718 29.9871 65.4386 -261.535 PRESSAVG: 245000 -21.904 -26.6973 -58.9314 -26.6973 18.3525 5.4746 -58.9314 5.4746 7.36447 GPRESSAVG: 245000 -22.2589 -28.5392 -59.1433 -25.9404 19.3473 4.97602 -59.4309 4.26168 6.43624 TIMING: 245000 CPU: 773.587, 0.00314844/step Wall: 773.587, 0.00314844/step, 4.15857 hours remaining, 233.140625 MB of memory in use. ENERGY: 245000 4000.2591 20659.7144 14468.2582 241.1730 -202850.3172 2425.6216 0.0000 0.0000 52003.6935 -109051.5973 298.8659 -161055.2908 -108686.8464 299.9695 -147.5652 -119.6814 762031.8913 1.2710 1.1749 PRESSURE: 245200 -74.3173 -175.012 49.8361 -175.012 -97.0876 141.125 49.8363 141.125 -254.811 GPRESSURE: 245200 -163.273 -272.325 54.7717 -98.6131 78.8081 53.0684 52.6298 68.4451 -230.841 PRESSAVG: 245200 -39.8961 -1.59016 26.9735 -1.59012 7.26384 17.5116 26.9735 17.5116 45.3526 GPRESSAVG: 245200 -40.1194 1.25964 26.0407 -3.05817 6.45165 18.8278 29.0128 18.7292 46.3756 TIMING: 245200 CPU: 774.219, 0.00315989/step Wall: 774.219, 0.00315989/step, 4.17351 hours remaining, 233.140625 MB of memory in use. ENERGY: 245200 3964.2773 20567.6406 14362.6475 250.2647 -202864.6625 2356.8540 0.0000 0.0000 52272.0032 -109090.9752 300.4079 -161362.9783 -108725.2765 299.0621 -142.0721 -105.1020 761602.0099 4.2401 4.2359 PRESSURE: 245400 235.475 196.385 -33.6918 196.385 -81.6095 -21.6042 -33.6912 -21.6037 -491.449 GPRESSURE: 245400 171.832 236.016 -79.0144 89.1927 94.7972 50.7099 18.5983 -24.5362 -511.007 PRESSAVG: 245400 30.6672 -47.5416 16.9851 -47.5415 -6.40478 0.519157 16.9852 0.519213 9.96502 GPRESSAVG: 245400 30.2215 -49.2411 17.5233 -47.4327 -7.02509 1.81593 16.9118 -0.249581 10.2876 TIMING: 245400 CPU: 774.852, 0.00316515/step Wall: 774.852, 0.00316515/step, 4.18028 hours remaining, 233.140625 MB of memory in use. ENERGY: 245400 4025.3953 20464.6597 14551.9497 273.9173 -203148.1839 2676.7205 0.0000 0.0000 52047.4626 -109108.0788 299.1175 -161155.5413 -108748.4938 299.2427 -112.5276 -81.4591 762772.7073 11.4091 11.1613 PRESSURE: 245600 -54.6146 48.8884 51.836 48.8885 -90.987 101.065 51.8349 101.065 -188.395 GPRESSURE: 245600 56.4231 43.8131 53.7337 44.8567 -145.858 125.344 -22.4723 64.8957 -176.664 PRESSAVG: 245600 15.5375 16.4898 4.90358 16.4897 -16.6302 -6.43289 4.90353 -6.43286 3.5725 GPRESSAVG: 245600 17.3883 17.7084 4.6306 16.6946 -16.7443 -8.46286 5.71605 -5.96886 1.46086 TIMING: 245600 CPU: 775.485, 0.00316546/step Wall: 775.485, 0.00316546/step, 4.18051 hours remaining, 233.140625 MB of memory in use. ENERGY: 245600 3979.0012 20487.3665 14459.8975 267.8192 -203033.8066 2638.9020 0.0000 0.0000 52166.5051 -109034.3151 299.8016 -161200.8202 -108668.2617 299.1025 -111.3321 -88.6997 763622.4325 0.8266 0.7016 PRESSURE: 245800 129.89 -26.9572 321.593 -26.9569 -238.328 143.568 321.593 143.568 86.2916 GPRESSURE: 245800 154.706 9.23846 282.581 -113.524 -195.842 105.489 43.2651 66.9692 113.415 PRESSAVG: 245800 29.6294 -19.6291 2.75857 -19.6291 -14.7387 0.767215 2.75847 0.767226 29.0242 GPRESSAVG: 245800 28.443 -18.8536 2.20051 -20.9599 -14.2683 -0.177488 -0.548831 1.18045 29.7931 TIMING: 245800 CPU: 776.115, 0.0031468/step Wall: 776.115, 0.0031468/step, 4.1557 hours remaining, 233.140625 MB of memory in use. ENERGY: 245800 4030.9420 20579.9124 14437.9533 248.5024 -202951.7540 2605.6206 0.0000 0.0000 52067.2465 -108981.5769 299.2312 -161048.8234 -108621.3988 299.6283 -7.3823 24.0930 763092.9427 14.6383 14.6559 PRESSURE: 246000 25.2717 -28.3126 -229.206 -28.312 162.654 157.827 -229.206 157.827 457.332 GPRESSURE: 246000 17.0217 6.41696 -221.095 40.649 215.29 107.368 -101.72 73.8773 483.163 PRESSAVG: 246000 35.4256 -17.129 -34.6245 -17.129 -41.1689 8.28266 -34.6245 8.28269 -2.89251 GPRESSAVG: 246000 35.8336 -18.4875 -34.2387 -14.5556 -41.2316 8.67194 -32.6994 9.30118 -3.3447 TIMING: 246000 CPU: 776.746, 0.00315546/step Wall: 776.746, 0.00315546/step, 4.16697 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: 246000 3923.0845 20471.5240 14481.6564 234.3352 -203225.3217 2568.5845 0.0000 0.0000 52299.9884 -109246.1488 300.5688 -161546.1372 -108878.5920 299.0855 215.0859 238.4917 763419.0278 -2.8786 -2.9142 PRESSURE: 246200 -354.817 -210.682 61.9822 -210.682 205.695 274.717 61.9814 274.717 -93.0184 GPRESSURE: 246200 -254.274 -28.2164 51.9008 -115.628 192.299 220.28 -17.5863 279.2 -82.6711 PRESSAVG: 246200 -20.4236 -42.7497 31.281 -42.7496 -10.7956 14.0093 31.281 14.0093 -2.44258 GPRESSAVG: 246200 -20.2258 -43.4495 32.6306 -43.6147 -11.2752 14.1467 28.3799 12.2638 -2.41785 TIMING: 246200 CPU: 777.376, 0.00314989/step Wall: 777.376, 0.00314989/step, 4.15943 hours remaining, 233.140625 MB of memory in use. ENERGY: 246200 4001.8062 20465.4063 14473.3994 225.8487 -203449.8731 2815.9204 0.0000 0.0000 52384.7795 -109082.7126 301.0560 -161467.4921 -108718.9831 299.4150 -80.7135 -48.2153 761108.9180 -11.2206 -11.3063 PRESSURE: 246400 68.0003 -11.3063 166.608 -11.306 -389.823 -265.072 166.607 -265.072 -244.796 GPRESSURE: 246400 75.7412 30.5586 127.175 -45.6236 -283.73 -276.51 119.873 -128.32 -262.909 PRESSAVG: 246400 -8.92822 64.3509 8.59181 64.3509 5.24787 -27.9795 8.59181 -27.9795 -5.61823 GPRESSAVG: 246400 -9.19971 64.7289 7.45 65.9062 5.88743 -27.0814 9.81784 -26.3047 -5.90005 TIMING: 246400 CPU: 778.006, 0.00314975/step Wall: 778.006, 0.00314975/step, 4.15908 hours remaining, 233.140625 MB of memory in use. ENERGY: 246400 3936.1204 20361.1055 14549.9838 262.0489 -202910.6985 2516.3731 0.0000 0.0000 52021.5846 -109263.4821 298.9688 -161285.0667 -108897.6521 299.1910 -188.8728 -156.9658 762979.7868 -3.0995 -3.0708 PRESSURE: 246600 37.1235 5.64646 147.68 5.64623 -121.282 -6.19147 147.68 -6.19131 -270.599 GPRESSURE: 246600 -8.50163 49.4386 114.163 -9.46609 -71.3093 -104.88 153.402 -125.489 -187.112 PRESSAVG: 246600 0.0909004 -39.6782 53.1294 -39.6782 -28.8878 -9.85826 53.1294 -9.85823 -6.51982 GPRESSAVG: 246600 -0.0624111 -41.2624 53.3133 -41.2477 -29.8273 -9.86243 52.4076 -11.5009 -5.54766 TIMING: 246600 CPU: 778.641, 0.00317425/step Wall: 778.641, 0.00317425/step, 4.19125 hours remaining, 233.140625 MB of memory in use. ENERGY: 246600 3963.8672 20598.6032 14445.6113 240.9730 -202590.0270 2398.6614 0.0000 0.0000 51884.9901 -109057.3209 298.1838 -160942.3110 -108700.6178 299.1108 -118.2524 -88.9744 763754.3262 -11.7722 -11.8125 PRESSURE: 246800 -333.453 95.1391 74.0923 95.1382 278.737 -42.1832 74.0925 -42.1833 165.898 GPRESSURE: 246800 -213.283 175.714 58.0573 96.0809 339.097 -29.409 -40.049 89.3947 71.1223 PRESSAVG: 246800 4.1653 -6.20777 -13.9282 -6.20777 -1.17238 -7.8454 -13.9282 -7.84536 6.32874 GPRESSAVG: 246800 4.09775 -5.69533 -14.9399 -4.97563 -0.914875 -6.66853 -13.2727 -8.39303 6.48438 TIMING: 246800 CPU: 779.274, 0.00316473/step Wall: 779.274, 0.00316473/step, 4.1785 hours remaining, 233.140625 MB of memory in use. ENERGY: 246800 3999.7165 20408.3067 14443.2514 237.8656 -202779.5048 2691.6814 0.0000 0.0000 51913.1643 -109085.5189 298.3457 -160998.6832 -108719.4999 299.5758 37.0607 65.6454 763091.8289 3.1072 3.2224 PRESSURE: 247000 -525.254 153.344 113.768 153.344 -142.037 -33.8788 113.767 -33.8793 -375.944 GPRESSURE: 247000 -490.724 98.0851 103.943 96.5385 -101.955 28.9457 96.1972 -91.7777 -369.368 PRESSAVG: 247000 6.259 -17.8484 15.9776 -17.8484 5.41251 33.1958 15.9776 33.1957 -14.309 GPRESSAVG: 247000 8.11841 -17.3258 15.7511 -18.9259 5.97308 32.377 17.3001 34.3184 -16.8452 TIMING: 247000 CPU: 779.911, 0.00318772/step Wall: 779.911, 0.00318772/step, 4.20868 hours remaining, 233.140625 MB of memory in use. ENERGY: 247000 3997.2695 20519.9027 14566.7104 242.9882 -202718.6840 2341.6913 0.0000 0.0000 52084.8196 -108965.3023 299.3322 -161050.1219 -108608.8181 299.7408 -347.7450 -320.6823 764156.7089 -0.8792 -0.9179 PRESSURE: 247200 -14.6702 90.8152 133.203 90.8148 -310.755 118.564 133.203 118.563 -76.7431 GPRESSURE: 247200 -15.166 170.219 138.068 149.394 -218.82 74.9676 113.051 101.41 -72.9904 PRESSAVG: 247200 -5.69745 -28.6785 9.11009 -28.6785 11.3692 115.635 9.11009 115.635 -7.14813 GPRESSAVG: 247200 -6.40103 -28.517 10.01 -25.9177 11.4521 114.056 8.34846 115.181 -5.6867 TIMING: 247200 CPU: 780.544, 0.00316227/step Wall: 780.544, 0.00316227/step, 4.1749 hours remaining, 233.140625 MB of memory in use. ENERGY: 247200 3975.4281 20554.0992 14503.8024 270.7189 -203203.7190 2676.5946 0.0000 0.0000 52113.2272 -109109.8487 299.4954 -161223.0758 -108749.5197 299.1970 -134.0560 -102.3256 762332.0021 -0.4921 -0.2119 PRESSURE: 247400 -286.922 207.469 107.017 207.47 -88.5935 -151.984 107.017 -151.984 -307.572 GPRESSURE: 247400 -237.636 179.886 40.6064 299.255 -25.968 -126.97 106.336 -174.919 -345.136 PRESSAVG: 247400 30.4158 9.90537 -55.0651 9.90542 -28.8454 48.3915 -55.0651 48.3916 -8.39421 GPRESSAVG: 247400 29.9143 8.17292 -55.0503 9.24265 -27.7262 48.4408 -53.0358 50.0372 -8.72884 TIMING: 247400 CPU: 781.171, 0.00313833/step Wall: 781.171, 0.00313833/step, 4.14312 hours remaining, 233.140625 MB of memory in use. ENERGY: 247400 3993.2310 20555.9457 14480.3251 247.1062 -202950.5019 2537.1667 0.0000 0.0000 51715.2137 -109421.5136 297.2080 -161136.7273 -109059.5768 299.2714 -227.6959 -202.9134 762646.6260 -2.2746 -2.1803 PRESSURE: 247600 -279.864 93.9398 22.097 93.9398 57.4642 287.195 22.0969 287.196 -141.107 GPRESSURE: 247600 -338.753 113.147 -64.6502 99.2129 194.563 295.193 66.6408 191.64 -117.42 PRESSAVG: 247600 5.34683 -7.97575 45.9908 -7.97575 -0.847579 37.7898 45.9908 37.7898 12.2217 GPRESSAVG: 247600 4.9088 -7.23629 46.3207 -7.20892 -1.16036 36.9553 45.9865 38.336 13.1022 TIMING: 247600 CPU: 781.798, 0.00313148/step Wall: 781.798, 0.00313148/step, 4.1339 hours remaining, 233.140625 MB of memory in use. ENERGY: 247600 3978.7713 20420.8862 14476.0530 240.2467 -203443.1654 2675.4812 0.0000 0.0000 52108.5615 -109543.1655 299.4686 -161651.7270 -109182.3011 298.5654 -121.1689 -87.2035 763039.2588 5.5736 5.6169 PRESSURE: 247800 -14.399 38.1224 0.317024 38.1215 -421.184 58.4907 0.317892 58.4906 -156.398 GPRESSURE: 247800 24.7738 20.536 15.1579 -152.787 -440.672 105.796 -92.9638 49.695 -93.2164 PRESSAVG: 247800 -2.73976 -1.05037 32.5852 -1.05034 -19.3249 5.51038 32.5852 5.51037 -8.56575 GPRESSAVG: 247800 -1.48989 -1.17323 33.5555 -1.88722 -20.2157 7.44526 30.6065 3.17783 -8.35626 TIMING: 247800 CPU: 782.429, 0.0031556/step Wall: 782.429, 0.0031556/step, 4.16557 hours remaining, 233.140625 MB of memory in use. ENERGY: 247800 4042.7120 20591.8518 14482.3065 235.2406 -202944.7011 2272.1176 0.0000 0.0000 51735.0115 -109585.4611 297.3218 -161320.4726 -109231.0723 298.5457 -197.3270 -169.7047 763859.8907 -10.2101 -10.0206 PRESSURE: 248000 94.2226 80.5654 39.669 80.565 -88.8709 153.154 39.6697 153.154 188.73 GPRESSURE: 248000 105.269 174.305 -36.879 34.1479 -24.6832 190.605 133.846 152.367 210.711 PRESSAVG: 248000 35.8524 15.8966 31.9657 15.8966 -50.3891 23.8107 31.9657 23.8107 7.92159 GPRESSAVG: 248000 34.6478 14.2661 29.7514 15.2315 -49.2917 22.9246 32.7964 24.282 7.92535 TIMING: 248000 CPU: 783.057, 0.00314371/step Wall: 783.057, 0.00314371/step, 4.1497 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: 248000 3973.4248 20436.9565 14505.9709 253.3600 -203236.3766 2658.6961 0.0000 0.0000 51934.3971 -109473.5711 298.4677 -161407.9682 -109102.0063 298.5916 64.6939 97.0988 763249.2210 -2.2050 -2.2395 PRESSURE: 248200 81.4548 98.778 17.8186 98.7789 80.0153 204.75 17.8181 204.751 -200.652 GPRESSURE: 248200 173.657 77.8674 -57.8782 4.98615 116.822 253.048 -42.6769 152.872 -236.832 PRESSAVG: 248200 -2.22884 -12.775 41.3569 -12.775 -26.8648 36.6585 41.3569 36.6586 -1.34626 GPRESSAVG: 248200 -1.47112 -12.8236 42.4224 -11.0826 -27.3338 37.1279 39.2809 37.7353 -0.914714 TIMING: 248200 CPU: 783.691, 0.00317048/step Wall: 783.691, 0.00317048/step, 4.18486 hours remaining, 233.140625 MB of memory in use. ENERGY: 248200 4003.1348 20412.3222 14467.9022 238.8870 -203142.9577 2341.1746 0.0000 0.0000 52140.6932 -109538.8437 299.6533 -161679.5369 -109175.4632 298.3711 -13.0606 17.8824 762576.5291 -10.1466 -9.9065 LDB: ============= START OF LOAD BALANCING ============== 796.225 LDB: ============== END OF LOAD BALANCING =============== 796.225 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 796.227 LDB: ============= START OF LOAD BALANCING ============== 796.547 LDB: Largest compute 7026 load 0.031471 is 16.1% of average load 0.194963 LDB: Average compute 0.004363 is 2.2% of average load 0.194963 LDB: TIME 796.551 LOAD: AVG 0.194963 MAX 0.217092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.547 MB LDB: TIME 796.551 LOAD: AVG 0.194963 MAX 0.217092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: TIME 796.551 LOAD: AVG 0.194963 MAX 0.217092 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.551 MB LDB: ============== END OF LOAD BALANCING =============== 796.553 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 796.558 PRESSURE: 248400 -92.3691 114.184 -4.28806 114.183 -196.969 47.3148 -4.28845 47.3138 -501.024 GPRESSURE: 248400 -127.57 31.4361 11.217 -87.3366 -142.738 90.022 -23.8094 74.853 -450.651 PRESSAVG: 248400 -6.29873 3.88133 15.1634 3.88131 31.7062 -0.766602 15.1633 -0.766585 -2.34316 GPRESSAVG: 248400 -7.13702 4.7063 15.2357 1.33731 33.0001 -2.31245 17.132 -1.12711 -3.11843 TIMING: 248400 CPU: 784.341, 0.00324808/step Wall: 784.341, 0.00324808/step, 4.28711 hours remaining, 231.953125 MB of memory in use. ENERGY: 248400 3996.1154 20553.6084 14444.2368 260.2540 -203169.6030 2506.7722 0.0000 0.0000 51900.5377 -109508.0786 298.2731 -161408.6163 -109140.2908 298.8428 -263.4537 -240.3194 763844.4319 7.6881 7.5816 PRESSURE: 248600 -341.48 92.0107 84.3185 92.0104 -176.001 104.981 84.3182 104.981 -20.7157 GPRESSURE: 248600 -235.456 99.3213 154 41.0081 -182.262 31.7248 -140.491 61.6656 -29.7158 PRESSAVG: 248600 -67.6343 4.65386 5.85052 4.65381 21.4566 -13.2072 5.85043 -13.2072 -13.4509 GPRESSAVG: 248600 -67.0622 4.24051 6.68888 6.04596 20.3178 -12.3513 5.02744 -13.9834 -12.6869 TIMING: 248600 CPU: 784.978, 0.00318234/step Wall: 784.978, 0.00318234/step, 4.20015 hours remaining, 231.992188 MB of memory in use. ENERGY: 248600 3973.3056 20512.8019 14530.5171 224.8928 -203151.1528 2523.8300 0.0000 0.0000 51930.0138 -109455.7916 298.4425 -161385.8054 -109089.2664 298.4594 -179.3991 -149.1449 762135.9861 -19.8762 -19.8104 PRESSURE: 248800 -16.9672 87.4532 81.3958 87.4529 122.772 45.1387 81.397 45.1396 -271.539 GPRESSURE: 248800 -69.3914 142.444 77.244 79.2564 196.957 81.5681 148.871 82.8925 -203.347 PRESSAVG: 248800 -14.3295 -18.3646 18.0681 -18.3646 24.976 46.7789 18.0681 46.7789 32.7807 GPRESSAVG: 248800 -15.526 -15.475 15.4876 -18.6297 26.2174 45.6938 21.129 46.0984 32.8859 TIMING: 248800 CPU: 785.609, 0.00315552/step Wall: 785.609, 0.00315552/step, 4.16458 hours remaining, 231.992188 MB of memory in use. ENERGY: 248800 3918.2753 20606.5576 14539.9140 247.9545 -203219.4462 2754.2158 0.0000 0.0000 51767.1322 -109385.3968 297.5064 -161152.5290 -109030.4165 298.7064 -55.2448 -25.2607 762322.1252 14.4757 14.5258 PRESSURE: 249000 -112.818 128.171 -102.904 128.172 77.3988 87.0023 -102.905 87.0029 -155.621 GPRESSURE: 249000 -42.4883 230.027 -60.1351 255.668 84.8171 27.5546 -129.19 233.372 -152.808 PRESSAVG: 249000 5.555 16.6085 2.16379 16.6085 9.79787 57.4592 2.16387 57.4593 21.6196 GPRESSAVG: 249000 5.88745 15.533 3.63374 17.0877 9.80559 58.6761 0.607621 61.0051 21.3237 TIMING: 249000 CPU: 786.237, 0.00314303/step Wall: 786.237, 0.00314303/step, 4.14793 hours remaining, 231.992188 MB of memory in use. ENERGY: 249000 4027.9647 20324.0515 14487.1679 250.1909 -203121.7847 2686.1559 0.0000 0.0000 52000.3840 -109345.8698 298.8469 -161346.2538 -108983.0651 298.5436 -63.6801 -36.8264 761598.3755 12.3242 12.3389 PRESSURE: 249200 190.179 -179.308 -72.9893 -179.307 -133.75 -86.3838 -72.9878 -86.3841 -289.711 GPRESSURE: 249200 158.956 -144.397 -104.347 -64.0792 -87.6312 -36.0528 -86.6158 -97.2505 -227.655 PRESSAVG: 249200 11.312 -47.9461 20.0868 -47.946 10.0208 62.5653 20.0868 62.5653 -10.8104 GPRESSAVG: 249200 11.609 -48.2553 19.6744 -47.4033 8.8559 63.923 20.6115 59.9948 -10.3916 TIMING: 249200 CPU: 786.87, 0.00316215/step Wall: 786.87, 0.00316215/step, 4.17299 hours remaining, 231.992188 MB of memory in use. ENERGY: 249200 4034.9442 20439.4420 14511.9354 244.4703 -203199.7440 2586.3911 0.0000 0.0000 52345.7467 -109036.8141 300.8317 -161382.5608 -108681.2609 299.3189 -77.7607 -52.1101 762141.7500 3.5075 3.3578 PRESSURE: 249400 -267.461 57.8348 -386.018 57.8353 -16.2956 -78.8722 -386.018 -78.8722 261.131 GPRESSURE: 249400 -137.647 105.02 -417.009 44.0411 20.0832 -93.6686 -340.794 -157.853 179.074 PRESSAVG: 249400 -6.71715 -0.944235 21.5663 -0.944302 24.6951 -5.66173 21.5663 -5.66174 13.0927 GPRESSAVG: 249400 -5.73802 -1.0968 20.4004 -0.133922 25.7629 -8.06663 21.7778 -5.52715 11.0375 TIMING: 249400 CPU: 787.498, 0.00314202/step Wall: 787.498, 0.00314202/step, 4.14625 hours remaining, 231.992188 MB of memory in use. ENERGY: 249400 4041.1551 20500.2197 14436.8335 247.7920 -203114.1323 2632.9658 0.0000 0.0000 52215.9458 -109039.2204 300.0858 -161255.1662 -108676.4337 299.1488 -7.5421 20.5033 762280.0416 10.3569 10.3541 PRESSURE: 249600 -203.104 -110.157 263.197 -110.157 1.38071 92.7941 263.197 92.7946 -347.635 GPRESSURE: 249600 -134.004 -73.5164 282.624 -147.084 -9.5389 78.6846 253.25 -23.2481 -331.588 PRESSAVG: 249600 40.0057 39.5685 51.727 39.5685 -10.8692 6.6841 51.727 6.68408 -19.5268 GPRESSAVG: 249600 39.3881 40.0859 52.4829 36.9272 -11.2761 8.07714 50.8525 8.37245 -18.5205 TIMING: 249600 CPU: 788.132, 0.00316719/step Wall: 788.132, 0.00316719/step, 4.17929 hours remaining, 231.992188 MB of memory in use. ENERGY: 249600 4075.0919 20644.0330 14508.6427 233.9388 -203146.8859 2559.2579 0.0000 0.0000 52121.8378 -109004.0838 299.5449 -161125.9216 -108641.7760 299.4553 -183.1196 -158.3771 763613.5969 3.2033 3.1972 PRESSURE: 249800 233.197 -151.218 -0.976803 -151.218 104.211 30.8111 -0.976045 30.8101 226.488 GPRESSURE: 249800 200.333 -199.776 123.31 -165.186 139.48 68.8484 71.771 75.2661 321.442 PRESSAVG: 249800 6.55842 7.871 54.6635 7.87093 1.96106 10.1656 54.6636 10.1656 9.66692 GPRESSAVG: 249800 6.08599 7.48515 55.7268 9.94001 2.35936 9.81953 55.3297 7.507 9.851 TIMING: 249800 CPU: 788.763, 0.00315543/step Wall: 788.763, 0.00315543/step, 4.16359 hours remaining, 231.992188 MB of memory in use. ENERGY: 249800 4008.2279 20509.9244 14444.8864 240.4894 -203282.0242 2797.1457 0.0000 0.0000 52153.6016 -109127.7490 299.7275 -161281.3505 -108770.2588 299.4206 187.9654 220.4184 761444.2748 6.0621 6.0988 PRESSURE: 250000 -52.348 -232.591 -10.9365 -232.591 -300.048 181.114 -10.9364 181.114 -22.9713 GPRESSURE: 250000 13.6256 -262.184 -31.2246 -183.883 -280.728 90.1745 -117.41 185.761 -21.1177 PRESSAVG: 250000 -19.5504 -20.6685 -17.9664 -20.6686 2.17459 38.8315 -17.9664 38.8314 1.35198 GPRESSAVG: 250000 -18.5394 -20.1998 -19.5087 -21.7485 1.35672 38.2686 -20.448 38.3624 0.762866 TIMING: 250000 CPU: 789.392, 0.0031455/step Wall: 789.392, 0.0031455/step, 4.15031 hours remaining, 231.992188 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: 250000 3988.1149 20601.4544 14407.0678 243.3882 -202777.5534 2378.3254 0.0000 0.0000 52095.2213 -109063.9815 299.3920 -161159.2028 -108708.4323 299.8443 -125.1225 -96.0735 762583.1959 -5.3413 -5.4733 PRESSURE: 250200 11.1571 66.5355 115.436 66.5352 -154.679 -176.459 115.435 -176.46 122.883 GPRESSURE: 250200 63.0706 69.6862 45.1958 107.456 -141.459 -237.876 188.206 -112.573 149.007 PRESSAVG: 250200 4.30777 2.51451 -37.5694 2.51444 -3.52519 3.79912 -37.5694 3.79913 13.8299 GPRESSAVG: 250200 2.40487 2.85506 -36.8259 2.1031 -2.59548 4.66411 -36.2799 6.3943 14.6938 TIMING: 250200 CPU: 790.019, 0.00313699/step Wall: 790.019, 0.00313699/step, 4.1389 hours remaining, 231.992188 MB of memory in use. ENERGY: 250200 3946.6544 20536.1220 14496.7595 235.6423 -202660.4477 2284.1875 0.0000 0.0000 52076.2276 -109084.8544 299.2828 -161161.0820 -108725.5766 300.1659 -6.8798 23.5395 761437.2698 4.8708 4.8344 PRESSURE: 250400 75.4055 142.887 249.643 142.887 252.3 139.428 249.644 139.427 -52.6833 GPRESSURE: 250400 40.2096 66.7015 177.277 201.42 375.349 190.129 218.145 110.528 -65.3322 PRESSAVG: 250400 -4.07458 50.4097 4.66174 50.4098 -3.98138 -49.2989 4.66181 -49.2989 -0.47011 GPRESSAVG: 250400 -2.99387 48.8216 5.08646 51.8032 -3.93443 -50.8144 3.41778 -49.6709 -1.9045 TIMING: 250400 CPU: 790.643, 0.0031186/step Wall: 790.643, 0.0031186/step, 4.11447 hours remaining, 231.992188 MB of memory in use. ENERGY: 250400 3949.6457 20579.3248 14443.1536 244.5104 -202975.5294 2625.2416 0.0000 0.0000 52004.8693 -109128.7841 298.8727 -161133.6533 -108774.8086 299.6260 91.6742 116.7421 762105.8939 -2.8420 -2.9443 PRESSURE: 250600 -370.124 79.2132 154.01 79.2129 -162.101 93.9688 154.01 93.9695 -197.4 GPRESSURE: 250600 -440.279 169.721 109.691 150.961 -78.7278 116.476 73.2456 69.385 -142.641 PRESSAVG: 250600 -44.8466 10.6487 17.297 10.6487 27.4358 37.5039 17.2969 37.5038 3.813 GPRESSAVG: 250600 -43.3902 11.6842 16.3467 11.1042 26.6568 37.5839 17.6395 36.5422 3.25382 TIMING: 250600 CPU: 791.274, 0.00315455/step Wall: 791.274, 0.00315455/step, 4.16172 hours remaining, 231.992188 MB of memory in use. ENERGY: 250600 3963.3628 20554.3211 14472.2037 234.9482 -202599.5868 2173.9580 0.0000 0.0000 52002.7995 -109197.9935 298.8608 -161200.7930 -108835.6251 299.7338 -243.2082 -220.5491 762655.9286 -4.5326 -4.4932 PRESSURE: 250800 -79.6704 217.202 -245.103 217.2 -60.6724 -12.0346 -245.102 -12.0342 -231.584 GPRESSURE: 250800 -41.9266 83.8346 -235.255 110.834 -93.4269 -61.7036 -176.773 27.8105 -152.932 PRESSAVG: 250800 4.62774 4.5614 20.5321 4.56137 -8.26284 41.6011 20.5321 41.6011 -5.94289 GPRESSAVG: 250800 2.67104 5.954 20.4783 4.24789 -6.93529 44.1529 23.0391 41.256 -4.98571 TIMING: 250800 CPU: 791.902, 0.00314109/step Wall: 791.902, 0.00314109/step, 4.1438 hours remaining, 231.992188 MB of memory in use. ENERGY: 250800 3946.7364 20553.4206 14506.0342 241.8446 -203155.0708 2563.4762 0.0000 0.0000 52413.6453 -108929.9135 301.2219 -161343.5588 -108561.4854 299.7164 -123.9756 -96.0953 762277.1959 -3.1927 -3.0833 PRESSURE: 251000 109.751 59.8229 -342.908 59.8224 159.192 152.408 -342.909 152.407 -81.7643 GPRESSURE: 251000 171.055 28.1047 -276.761 85.2507 168.817 218.4 -311.724 176.68 -63.2433 PRESSAVG: 251000 31.9117 39.6849 15.3723 39.6849 14.4163 22.0028 15.3723 22.0029 16.0143 GPRESSAVG: 251000 32.3925 37.6878 15.9701 38.6104 14.9722 20.8064 13.637 22.6603 15.0043 TIMING: 251000 CPU: 792.535, 0.00316268/step Wall: 792.535, 0.00316268/step, 4.17211 hours remaining, 232.195312 MB of memory in use. ENERGY: 251000 3984.7871 20423.5891 14519.3620 244.8263 -203067.5932 2672.7754 0.0000 0.0000 52563.9470 -108658.3063 302.0857 -161222.2533 -108291.5870 300.8833 62.3928 92.2096 760582.5332 20.7808 20.7897 PRESSURE: 251200 160.667 -128.532 112 -128.532 199.531 -246.97 112 -246.971 316.474 GPRESSURE: 251200 163.069 -111.49 119.605 -200.664 204.913 -136.806 -33.545 -241.568 388.314 PRESSAVG: 251200 35.694 -43.9286 3.9285 -43.9286 26.4612 -4.69209 3.92851 -4.69211 6.00324 GPRESSAVG: 251200 35.9236 -45.2413 4.49004 -43.1748 25.6325 -4.72047 3.93217 -4.51588 6.86129 TIMING: 251200 CPU: 793.162, 0.00313745/step Wall: 793.162, 0.00313745/step, 4.13864 hours remaining, 232.195312 MB of memory in use. ENERGY: 251200 3983.9833 20451.0613 14576.5820 248.8195 -203268.3037 2645.5878 0.0000 0.0000 52379.7528 -108982.5170 301.0272 -161362.2697 -108615.2475 300.7931 225.5573 252.0988 760533.6004 22.7195 22.8058 PRESSURE: 251400 122.108 147.177 169.659 147.177 -160.791 -53.4811 169.659 -53.4809 74.375 GPRESSURE: 251400 97.7107 99.2822 176.328 111.74 -46.1214 -61.5532 -49.803 -158.641 74.7851 PRESSAVG: 251400 10.4411 -48.3595 -24.1267 -48.3595 -26.666 19.0036 -24.1267 19.0035 8.03327 GPRESSAVG: 251400 11.1451 -47.0121 -24.1972 -47.653 -27.9557 17.9601 -25.3065 17.7154 8.47922 TIMING: 251400 CPU: 793.795, 0.00316594/step Wall: 793.795, 0.00316594/step, 4.17605 hours remaining, 232.195312 MB of memory in use. ENERGY: 251400 3970.3830 20616.4569 14476.3276 246.5594 -202936.4993 2351.9844 0.0000 0.0000 52335.6525 -108939.1355 300.7737 -161274.7879 -108577.8235 300.3646 11.8974 42.1248 761712.7736 -2.7305 -2.7772 PRESSURE: 251600 107.864 -84.4567 -139.92 -84.4576 -317.596 -139.396 -139.921 -139.395 519.898 GPRESSURE: 251600 149.029 -87.6106 -228.772 -80.8488 -236.035 -125.377 -109.968 -5.29324 474.542 PRESSAVG: 251600 -21.7151 -12.8643 30.2237 -12.8642 -25.6713 -12.8633 30.2237 -12.8633 28.3113 GPRESSAVG: 251600 -22.3944 -9.04211 28.9658 -14.79 -25.8884 -13.5381 30.454 -10.0359 28.8144 TIMING: 251600 CPU: 794.423, 0.00313999/step Wall: 794.423, 0.00313999/step, 4.14164 hours remaining, 232.195312 MB of memory in use. ENERGY: 251600 3909.6379 20482.6425 14532.8680 245.4566 -202927.1993 2454.7553 0.0000 0.0000 52351.0401 -108950.7989 300.8621 -161301.8390 -108578.2230 300.4159 103.3887 129.1786 761656.3077 -6.3584 -6.4895 PRESSURE: 251800 -652.738 15.6977 -95.402 15.6972 -479.935 156.626 -95.4013 156.626 -475.101 GPRESSURE: 251800 -541.327 25.8122 15.3553 157.005 -496.475 208.809 -50.7233 117.491 -484.174 PRESSAVG: 251800 2.67393 -34.5786 34.1096 -34.5787 -1.73605 -28.423 34.1096 -28.423 -16.7461 GPRESSAVG: 251800 2.97852 -36.2197 34.7247 -32.5769 -1.94382 -26.798 34.9551 -30.8537 -16.9863 TIMING: 251800 CPU: 795.052, 0.00314349/step Wall: 795.052, 0.00314349/step, 4.14609 hours remaining, 232.195312 MB of memory in use. ENERGY: 251800 4032.9941 20526.3882 14459.3181 270.4466 -202796.5240 2324.3850 0.0000 0.0000 52254.5242 -108928.4678 300.3075 -161182.9920 -108568.6590 299.8645 -535.9246 -507.3255 764367.4579 -5.2694 -5.3172 PRESSURE: 252000 108.592 -3.87927 -97.121 -3.87918 -451.206 -61.1548 -97.1217 -61.1552 -390.332 GPRESSURE: 252000 151.38 -53.5517 -87.5853 -8.06111 -362.864 -122.584 -13.97 10.3445 -431.626 PRESSAVG: 252000 62.0505 -30.7383 30.3264 -30.7383 -65.6172 -29.3564 30.3264 -29.3565 10.8213 GPRESSAVG: 252000 62.3358 -31.6663 30.1648 -33.5162 -64.7829 -29.7053 31.6494 -30.0331 9.93801 TIMING: 252000 CPU: 795.686, 0.00317299/step Wall: 795.686, 0.00317299/step, 4.18482 hours remaining, 232.195312 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: 252000 4005.3974 20502.6576 14503.5423 231.8967 -203077.7583 2495.4478 0.0000 0.0000 52220.6003 -109118.2163 300.1125 -161338.8166 -108770.9008 300.0111 -244.3152 -214.3702 763569.1855 2.4182 2.4970 PRESSURE: 252200 29.3731 104.058 236.072 104.058 -172.539 163.613 236.072 163.613 358.039 GPRESSURE: 252200 64.6944 96.4996 218.64 118.867 -139.551 176.617 244.079 108.942 359.973 PRESSAVG: 252200 45.0337 1.62299 10.3039 1.62303 -14.2178 20.6789 10.3039 20.6789 20.8754 GPRESSAVG: 252200 44.3817 -0.826235 10.6152 3.26361 -14.552 21.3995 7.77251 20.9794 20.8362 TIMING: 252200 CPU: 796.324, 0.0031875/step Wall: 796.324, 0.0031875/step, 4.20378 hours remaining, 232.195312 MB of memory in use. ENERGY: 252200 4054.2712 20525.8524 14470.5812 252.1245 -203345.2599 2621.8477 0.0000 0.0000 52228.9756 -109191.6075 300.1606 -161420.5831 -108833.4187 299.7729 71.6245 95.0390 763076.3110 17.2304 16.8886 LDB: ============= START OF LOAD BALANCING ============== 808.857 LDB: ============== END OF LOAD BALANCING =============== 808.857 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 808.859 LDB: ============= START OF LOAD BALANCING ============== 809.173 LDB: Largest compute 7031 load 0.032759 is 16.8% of average load 0.194910 LDB: Average compute 0.004395 is 2.3% of average load 0.194910 LDB: TIME 809.176 LOAD: AVG 0.19491 MAX 0.222365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.734 MB LDB: TIME 809.177 LOAD: AVG 0.19491 MAX 0.222365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 809.177 LOAD: AVG 0.19491 MAX 0.217207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 809.179 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 809.184 PRESSURE: 252400 -418.753 225.266 123.881 225.266 56.0133 -159.875 123.881 -159.875 -163.353 GPRESSURE: 252400 -298.275 204.031 48.75 162.075 -23.4992 -71.8198 241.766 -185.227 -85.5833 PRESSAVG: 252400 -9.77903 24.6024 7.32339 24.6024 -9.71411 27.8563 7.32339 27.8562 -17.6138 GPRESSAVG: 252400 -8.69692 25.7222 5.36721 26.5873 -11.1488 30.7967 8.25486 26.3396 -17.4214 TIMING: 252400 CPU: 796.967, 0.00321515/step Wall: 796.967, 0.00321515/step, 4.24007 hours remaining, 231.855469 MB of memory in use. ENERGY: 252400 4037.0911 20414.5552 14467.9935 231.9596 -203008.4514 2545.0730 0.0000 0.0000 52062.7500 -109249.0290 299.2053 -161311.7790 -108888.6803 299.1567 -175.3642 -135.7857 762916.9955 -12.3690 -12.4224 PRESSURE: 252600 -124.847 -51.2027 -261.948 -51.2029 -34.8444 -107.789 -261.948 -107.788 107.955 GPRESSURE: 252600 -20.7413 -22.4629 -260.851 -2.34908 -14.3951 -78.0967 -377.412 -128.694 75.4215 PRESSAVG: 252600 46.8945 40.1912 -12.8949 40.1911 -29.657 24.551 -12.8949 24.5509 -15.5192 GPRESSAVG: 252600 46.2262 38.8623 -10.3418 38.8405 -28.3247 21.494 -11.4281 27.3959 -15.9679 TIMING: 252600 CPU: 797.597, 0.00314788/step Wall: 797.597, 0.00314788/step, 4.15118 hours remaining, 232.058594 MB of memory in use. ENERGY: 252600 3975.6472 20433.7123 14569.5113 230.3198 -203018.7580 2577.2290 0.0000 0.0000 52077.0767 -109155.2617 299.2877 -161232.3384 -108795.1683 299.4096 -17.2456 13.4284 762879.5337 0.5728 0.6446 PRESSURE: 252800 131.74 -180.292 143.319 -180.292 59.3803 8.18171 143.32 8.18245 17.0776 GPRESSURE: 252800 188.709 -28.1305 197.322 -166.439 10.8293 52.3385 88.7747 64.3342 101.636 PRESSAVG: 252800 37.3126 19.6866 -30.1113 19.6866 -52.3694 10.2489 -30.1113 10.2489 15.0845 GPRESSAVG: 252800 37.2543 21.9174 -30.1532 19.6759 -52.8215 11.6895 -30.8213 12.1076 15.9059 TIMING: 252800 CPU: 798.225, 0.00314368/step Wall: 798.225, 0.00314368/step, 4.14547 hours remaining, 232.058594 MB of memory in use. ENERGY: 252800 3938.1453 20460.5401 14529.7831 242.1856 -202663.3925 2447.1466 0.0000 0.0000 52029.5652 -109016.0267 299.0146 -161045.5919 -108653.2175 299.8561 69.3992 100.3915 762032.6901 0.0092 0.1129 PRESSURE: 253000 -14.0402 176.766 59.7848 176.766 -266.503 53.3636 59.785 53.3637 -20.2769 GPRESSURE: 253000 -22.1496 66.2766 122.325 78.3863 -183.477 108.008 86.4209 43.7961 -6.62198 PRESSAVG: 253000 41.4355 2.2932 -8.99026 2.29317 -19.8498 0.646855 -8.99024 0.646789 -8.76835 GPRESSAVG: 253000 40.5338 0.718788 -9.94889 1.25467 -18.9101 -0.891001 -8.95897 -0.198411 -8.81795 TIMING: 253000 CPU: 798.862, 0.00318384/step Wall: 798.862, 0.00318384/step, 4.19824 hours remaining, 232.058594 MB of memory in use. ENERGY: 253000 4038.0412 20500.6608 14510.4331 235.0206 -203424.8527 2627.3957 0.0000 0.0000 52182.1355 -109331.1657 299.8914 -161513.3012 -108966.0370 299.7802 -100.2735 -70.7495 763199.1778 4.2725 4.2686 PRESSURE: 253200 85.2116 40.5783 179.126 40.5779 -352.834 -55.6943 179.126 -55.6941 -161.156 GPRESSURE: 253200 214.713 64.9631 135.026 -72.9496 -303.342 -4.52362 105.507 -92.8558 -249.579 PRESSAVG: 253200 18.4056 5.40144 6.93098 5.40135 -50.3708 -16.1967 6.93098 -16.1967 -8.00597 GPRESSAVG: 253200 19.1481 4.48421 6.79748 4.98527 -51.1245 -15.4295 5.95225 -17.0947 -7.65093 TIMING: 253200 CPU: 799.487, 0.0031255/step Wall: 799.487, 0.0031255/step, 4.12114 hours remaining, 232.058594 MB of memory in use. ENERGY: 253200 4030.3212 20546.2181 14444.3936 257.7128 -203148.7466 2578.6299 0.0000 0.0000 51911.6139 -109379.8572 298.3368 -161291.4710 -109022.9191 299.3551 -142.9261 -112.7362 760333.9925 -13.3237 -13.2091 PRESSURE: 253400 0.0883659 80.3663 -235.248 80.3661 -172.175 122.833 -235.249 122.834 147.826 GPRESSURE: 253400 -39.2293 59.8708 -237.385 -2.11796 -102.581 61.5941 -142.399 49.474 180.62 PRESSAVG: 253400 27.4286 36.0251 3.54074 36.0251 -6.62139 40.5822 3.54073 40.5822 -8.22139 GPRESSAVG: 253400 27.2082 37.7082 3.86586 36.6831 -6.36289 38.5108 4.27605 40.9155 -8.84935 TIMING: 253400 CPU: 800.111, 0.00311765/step Wall: 800.111, 0.00311765/step, 4.11062 hours remaining, 232.261719 MB of memory in use. ENERGY: 253400 3938.0977 20519.5017 14498.7867 248.2995 -203484.2117 2799.1720 0.0000 0.0000 52092.9294 -109387.4248 299.3788 -161480.3541 -109015.1893 299.1306 -8.0869 12.9366 762297.4755 4.1953 3.9986 PRESSURE: 253600 -227.585 68.6601 9.25251 68.6602 -499.701 -387.428 9.25229 -387.427 25.5188 GPRESSURE: 253600 -121.364 54.2761 -21.9187 36.5654 -480.041 -473.056 -35.9375 -240.035 -9.78879 PRESSAVG: 253600 -12.3407 18.1586 29.2332 18.1586 -39.5297 -36.906 29.2333 -36.906 -1.18935 GPRESSAVG: 253600 -13.7464 17.8931 29.7062 18.4048 -40.3922 -35.7243 28.7514 -35.8167 1.04192 TIMING: 253600 CPU: 800.739, 0.00313898/step Wall: 800.739, 0.00313898/step, 4.13857 hours remaining, 232.261719 MB of memory in use. ENERGY: 253600 4001.2859 20498.0490 14379.0323 235.1745 -203541.4442 2537.4245 0.0000 0.0000 52288.9020 -109601.5759 300.5050 -161890.4779 -109241.5476 298.9258 -233.9222 -203.7313 761114.2492 -17.6866 -17.6989 PRESSURE: 253800 173.82 94.9748 174.815 94.9748 -72.8886 -158.653 174.814 -158.654 -202.754 GPRESSURE: 253800 152.926 98.9469 213.037 78.2845 -62.6987 -223.267 108.9 -43.1722 -103.409 PRESSAVG: 253800 26.6396 -21.7514 68.6166 -21.7514 -44.6713 -18.8082 68.6166 -18.8082 8.0049 GPRESSAVG: 253800 27.8369 -23.0353 68.3696 -23.6164 -43.6853 -19.4224 67.7368 -19.356 6.19302 TIMING: 253800 CPU: 801.365, 0.00313325/step Wall: 801.365, 0.00313325/step, 4.13084 hours remaining, 232.464844 MB of memory in use. ENERGY: 253800 4008.0545 20514.5207 14494.8764 223.4650 -203641.0855 2619.8748 0.0000 0.0000 52107.0137 -109673.2804 299.4597 -161780.2940 -109312.1373 298.7593 -33.9410 -4.3941 761648.3556 -3.3423 -3.2185 PRESSURE: 254000 227.677 -115.9 89.375 -115.9 311.944 -269.191 89.3758 -269.191 -526.425 GPRESSURE: 254000 230.238 -32.1789 118.6 -50.8882 368.048 -251.938 221.528 -309.052 -498.183 PRESSAVG: 254000 -7.19269 -9.20683 4.64769 -9.20683 21.966 -11.6942 4.64773 -11.6942 13.6364 GPRESSAVG: 254000 -7.42373 -7.26493 5.13911 -9.5403 21.557 -10.428 6.65794 -12.2569 14.2073 TIMING: 254000 CPU: 801.995, 0.00314808/step Wall: 801.995, 0.00314808/step, 4.15022 hours remaining, 232.464844 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: 254000 3937.3573 20627.5519 14497.7946 240.7772 -203730.9128 2848.2998 0.0000 0.0000 51803.1635 -109775.9684 297.7135 -161579.1320 -109421.4944 298.1827 4.3988 33.3677 762184.7488 9.4699 9.4468 PRESSURE: 254200 130.137 181.807 172.578 181.807 -230.642 162.278 172.578 162.278 -162.103 GPRESSURE: 254200 149.905 -1.15095 223.105 209.121 -235.224 141.337 167.6 135.042 -110.933 PRESSAVG: 254200 -9.26832 21.8233 -25.7549 21.8233 21.07 28.3225 -25.7548 28.3225 22.4499 GPRESSAVG: 254200 -8.64738 21.298 -25.3707 23.3831 21.4164 29.0202 -27.4639 29.9283 21.5761 TIMING: 254200 CPU: 802.621, 0.00312985/step Wall: 802.621, 0.00312985/step, 4.12601 hours remaining, 232.464844 MB of memory in use. ENERGY: 254200 3925.2914 20675.9993 14496.7980 259.3772 -203470.7352 2566.9529 0.0000 0.0000 51725.2290 -109821.0874 297.2656 -161546.3164 -109465.7548 298.0947 -87.5359 -65.4175 761492.1117 11.4172 11.4484 PRESSURE: 254400 -58.6208 99.4029 265.826 99.4027 -126.244 -106.759 265.827 -106.759 -116.176 GPRESSURE: 254400 -101.929 261.538 217.077 13.848 -28.3369 -53.7507 240.611 -256.852 -72.2221 PRESSAVG: 254400 -10.4649 -29.889 -16.2094 -29.889 12.8153 13.5026 -16.2094 13.5026 5.55952 GPRESSAVG: 254400 -10.6721 -27.95 -18.1856 -31.7179 11.5327 10.8441 -15.2448 11.294 6.60171 TIMING: 254400 CPU: 803.245, 0.00311882/step Wall: 803.245, 0.00311882/step, 4.1113 hours remaining, 232.464844 MB of memory in use. ENERGY: 254400 4001.1388 20477.8181 14483.4294 256.8890 -203628.8580 2777.8694 0.0000 0.0000 51933.5715 -109698.1417 298.4629 -161631.7132 -109348.5695 298.0837 -100.3468 -67.4960 761568.7583 2.6366 2.4875 PRESSURE: 254600 -91.6501 26.8179 86.2879 26.8188 23.4321 51.8431 86.2877 51.8428 224.506 GPRESSURE: 254600 40.3337 -65.3923 -20.1006 -9.66648 46.9057 91.0146 161.262 88.6092 151.331 PRESSAVG: 254600 -43.5682 -24.3276 4.01231 -24.3276 15.7759 11.767 4.01231 11.767 5.83157 GPRESSAVG: 254600 -42.4405 -25.3689 4.29368 -23.3319 15.6924 15.0578 2.90536 10.0709 4.97451 TIMING: 254600 CPU: 803.878, 0.00316979/step Wall: 803.878, 0.00316979/step, 4.17831 hours remaining, 232.464844 MB of memory in use. ENERGY: 254600 3990.3200 20562.5252 14448.3944 249.3902 -203647.0978 2766.0826 0.0000 0.0000 52466.4376 -109163.9478 301.5253 -161630.3854 -108791.7613 298.8881 52.0961 79.5236 760993.9384 -7.3203 -7.2579 PRESSURE: 254800 -366.641 98.2657 -153.286 98.2657 96.165 173.166 -153.286 173.166 -168.876 GPRESSURE: 254800 -282.436 106.832 -60.1383 4.11241 33.8766 113.593 -167.019 101.51 -130.51 PRESSAVG: 254800 -38.0917 23.4361 -11.9386 23.4362 -13.5354 14.2607 -11.9386 14.2608 33.877 GPRESSAVG: 254800 -37.7523 21.3846 -11.9922 23.9286 -12.9854 10.5311 -11.0301 17.0577 33.0557 TIMING: 254800 CPU: 804.511, 0.00316099/step Wall: 804.511, 0.00316099/step, 4.16654 hours remaining, 232.464844 MB of memory in use. ENERGY: 254800 3991.2110 20737.8854 14440.4582 248.2006 -203064.5654 2243.2039 0.0000 0.0000 52049.3486 -109354.2577 299.1283 -161403.6063 -108993.6904 300.0257 -146.4508 -126.3563 762030.2070 -5.9167 -5.8940 PRESSURE: 255000 90.1485 -217.381 55.1544 -217.38 -139.396 -64.462 55.154 -64.4612 -80.2981 GPRESSURE: 255000 4.90811 -207.741 116.546 -174.116 -45.2053 -49.5393 13.2713 -56.5724 -14.4807 PRESSAVG: 255000 84.0912 -94.1159 -9.74343 -94.1158 -54.2774 7.15719 -9.74349 7.15713 -13.6169 GPRESSAVG: 255000 83.5984 -94.6105 -7.71192 -93.2617 -54.5546 8.08146 -10.2387 6.47132 -12.7684 TIMING: 255000 CPU: 805.141, 0.0031513/step Wall: 805.141, 0.0031513/step, 4.15358 hours remaining, 232.464844 MB of memory in use. ENERGY: 255000 3907.0558 20515.0123 14478.2058 243.3985 -203612.8195 2542.3510 0.0000 0.0000 52214.3464 -109712.4498 300.0766 -161926.7962 -109338.1850 298.8291 -43.1818 -18.2593 761265.0871 5.3990 5.4251 PRESSURE: 255200 77.9394 -137.059 151.782 -137.059 -72.3814 186.902 151.783 186.902 -270.427 GPRESSURE: 255200 66.2038 -45.8895 199.179 1.42708 -29.5255 125.832 46.5054 162.18 -229.612 PRESSAVG: 255200 37.5629 19.7164 -10.112 19.7164 -20.0489 12.8524 -10.1119 12.8523 -12.2952 GPRESSAVG: 255200 36.0975 21.3604 -10.8582 21.4578 -19.1886 13.2567 -11.1691 13.331 -11.5358 TIMING: 255200 CPU: 805.767, 0.00312926/step Wall: 805.767, 0.00312926/step, 4.12437 hours remaining, 232.464844 MB of memory in use. ENERGY: 255200 4036.6546 20520.3360 14487.5358 244.0125 -203402.0873 2435.9243 0.0000 0.0000 51941.0587 -109736.5653 298.5060 -161677.6241 -109371.2290 298.7858 -88.2898 -64.3113 760665.6094 1.7396 1.7910 PRESSURE: 255400 -14.6833 -38.2094 -158.999 -38.209 -69.1721 223.959 -158.998 223.958 -43.8863 GPRESSURE: 255400 -20.1111 -145.069 -166.785 -31.9198 -11.2278 221.065 -104.789 207.518 -1.97423 PRESSAVG: 255400 -13.0546 24.6404 -41.2189 24.6404 -4.82325 -8.74437 -41.219 -8.74438 7.90714 GPRESSAVG: 255400 -13.0854 25.41 -41.383 22.6167 -4.78876 -8.64066 -42.031 -9.97005 7.24991 TIMING: 255400 CPU: 806.396, 0.00314796/step Wall: 806.396, 0.00314796/step, 4.14884 hours remaining, 232.464844 MB of memory in use. ENERGY: 255400 3998.8689 20515.5875 14486.4146 260.1380 -203477.6258 2527.7994 0.0000 0.0000 52254.0214 -109434.7960 300.3046 -161688.8174 -109085.3864 299.4147 -42.5806 -11.1044 761990.1868 -3.3236 -3.5414 PRESSURE: 255600 155.378 -94.4307 -70.712 -94.4304 -97.4343 -252.662 -70.7123 -252.662 101.736 GPRESSURE: 255600 149.289 -85.0004 -88.4301 5.0362 -7.64287 -188.03 -47.7523 -107.974 129.352 PRESSAVG: 255600 26.6488 43.1535 -34.9537 43.1535 -24.8435 44.1976 -34.9538 44.1977 -16.1937 GPRESSAVG: 255600 25.5393 40.3276 -36.8165 43.1293 -24.1658 43.9646 -33.4064 44.2535 -15.9054 TIMING: 255600 CPU: 807.031, 0.00317372/step Wall: 807.031, 0.00317372/step, 4.18261 hours remaining, 232.464844 MB of memory in use. ENERGY: 255600 3955.9613 20384.9386 14473.9111 241.6087 -203737.6271 2768.8009 0.0000 0.0000 52247.8589 -109664.5476 300.2692 -161912.4065 -109295.3966 299.4147 53.2267 90.3328 762184.0158 -4.7962 -4.8440 PRESSURE: 255800 -25.8942 -38.1543 -17.4922 -38.1547 82.641 -202.604 -17.4918 -202.603 -117.096 GPRESSURE: 255800 14.5882 -45.5568 79.9295 47.4726 94.8091 -264.405 -170.636 -192.25 -103.92 PRESSAVG: 255800 6.39164 -41.7882 -50.9751 -41.7882 12.8217 17.791 -50.9751 17.7912 -32.7741 GPRESSAVG: 255800 8.08612 -41.5389 -46.9574 -41.5672 11.8045 18.1731 -52.8107 19.4473 -32.942 TIMING: 255800 CPU: 807.664, 0.00316646/step Wall: 807.664, 0.00316646/step, 4.17286 hours remaining, 232.464844 MB of memory in use. ENERGY: 255800 4006.4369 20544.8499 14480.7810 237.7746 -203587.6815 2917.4240 0.0000 0.0000 51879.8228 -109520.5922 298.1541 -161400.4151 -109170.9707 299.1534 -20.1165 1.8257 763101.1298 -4.5202 -4.3504 PRESSURE: 256000 -298.347 -7.26225 -111.075 -7.26224 255.69 229.038 -111.074 229.039 196.724 GPRESSURE: 256000 -274.816 -5.35126 -144.439 83.882 233.193 120.533 20.0162 205.956 270.153 PRESSAVG: 256000 -59.745 -19.6245 51.8169 -19.6244 2.84217 67.786 51.8168 67.7861 -3.447 GPRESSAVG: 256000 -61.0144 -18.431 50.1306 -19.4143 3.51228 65.6524 53.7065 68.5486 -3.15492 TIMING: 256000 CPU: 808.296, 0.00315661/step Wall: 808.296, 0.00315661/step, 4.15971 hours remaining, 232.464844 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: 256000 3988.3400 20547.4897 14527.4707 243.8639 -203239.5734 2536.8943 0.0000 0.0000 51879.0937 -109516.4210 298.1499 -161395.5147 -109158.9216 299.1378 51.3556 76.1768 762095.2819 -20.1166 -20.2190 PRESSURE: 256200 -190.538 -307.457 190.826 -307.457 -327.471 163.19 190.825 163.191 -313.264 GPRESSURE: 256200 -181.667 -142.49 96.7651 -165.018 -234.256 245.148 59.18 199.868 -324.678 PRESSAVG: 256200 -94.9504 -11.1227 7.08823 -11.1227 92.2509 54.4163 7.08827 54.4165 1.68126 GPRESSAVG: 256200 -94.3482 -11.4382 7.23423 -11.1247 92.6545 55.4763 6.09196 52.5559 0.566386 TIMING: 256200 CPU: 808.926, 0.00315365/step Wall: 808.926, 0.00315365/step, 4.15564 hours remaining, 232.464844 MB of memory in use. ENERGY: 256200 3955.4221 20526.8614 14480.4620 233.5373 -203232.6456 2389.8093 0.0000 0.0000 52062.7745 -109583.7789 299.2055 -161646.5534 -109219.0621 298.4801 -277.0912 -246.8672 763834.5029 -0.3394 -0.3758 LDB: ============= START OF LOAD BALANCING ============== 821.458 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 821.459 LDB: =============== DONE WITH MIGRATION ================ 821.46 LDB: ============= START OF LOAD BALANCING ============== 821.774 LDB: Largest compute 7054 load 0.031220 is 16.0% of average load 0.195124 LDB: Average compute 0.004387 is 2.2% of average load 0.195124 LDB: TIME 821.777 LOAD: AVG 0.195124 MAX 0.220836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.031 MB LDB: TIME 821.777 LOAD: AVG 0.195124 MAX 0.220836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: TIME 821.778 LOAD: AVG 0.195124 MAX 0.215829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: ============== END OF LOAD BALANCING =============== 821.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 821.785 PRESSURE: 256400 337.627 -6.58805 36.1856 -6.58839 215.689 -44.5452 36.1858 -44.5455 311.532 GPRESSURE: 256400 390.572 19.8254 20.3646 26.2454 302.314 -11.4898 105.715 -10.8958 276.867 PRESSAVG: 256400 -50.8816 14.052 46.3036 14.0521 6.7339 34.618 46.3036 34.6179 -10.0899 GPRESSAVG: 256400 -50.8323 14.9215 45.5961 15.0193 6.19181 34.7658 46.5464 35.229 -9.35068 TIMING: 256400 CPU: 809.568, 0.00320787/step Wall: 809.568, 0.00320787/step, 4.2269 hours remaining, 232.058594 MB of memory in use. ENERGY: 256400 4028.6284 20454.2921 14524.8269 255.2562 -203662.7377 2992.7262 0.0000 0.0000 52028.7660 -109378.2419 299.0100 -161407.0078 -109012.8856 299.0059 288.2828 323.2510 761138.1187 -18.0792 -17.9970 PRESSURE: 256600 -120.365 -44.7454 -42.7253 -44.7455 -211.714 6.14882 -42.7259 6.14954 69.8945 GPRESSURE: 256600 -102.536 -40.8437 -95.1045 -144.793 -167.888 51.2102 93.6385 -50.7459 113.424 PRESSAVG: 256600 -31.3675 26.8484 -0.455595 26.8485 42.583 -20.5551 -0.455634 -20.555 -12.1455 GPRESSAVG: 256600 -31.6099 28.3795 -1.05918 25.626 44.0637 -20.6199 1.92654 -21.5196 -13.5173 TIMING: 256600 CPU: 810.201, 0.00316312/step Wall: 810.201, 0.00316312/step, 4.16777 hours remaining, 232.058594 MB of memory in use. ENERGY: 256600 4011.9809 20319.2792 14517.8170 220.3145 -203494.0560 2705.1367 0.0000 0.0000 51882.0275 -109837.5002 298.1667 -161719.5277 -109467.6720 298.3406 -87.3950 -52.3329 761427.0415 -0.3100 -0.3545 PRESSURE: 256800 287.57 36.7455 106.264 36.7459 142.357 -237.831 106.264 -237.829 161.071 GPRESSURE: 256800 278.107 3.71128 111.135 76.7406 180.335 -305.501 39.0341 -233.707 205.504 PRESSAVG: 256800 -56.3033 -6.60606 -39.2583 -6.60603 34.8753 -18.8687 -39.2583 -18.8687 -8.97556 GPRESSAVG: 256800 -56.6984 -7.25537 -37.921 -7.77533 34.0113 -19.9343 -39.9872 -17.6346 -7.93102 TIMING: 256800 CPU: 810.83, 0.00314425/step Wall: 810.83, 0.00314425/step, 4.14272 hours remaining, 232.058594 MB of memory in use. ENERGY: 256800 3932.4262 20687.3270 14494.7174 271.7733 -203733.5641 2963.5717 0.0000 0.0000 51897.4485 -109486.2999 298.2554 -161383.7485 -109134.4715 298.7592 196.9993 221.3153 761703.4865 -10.1345 -10.2061 PRESSURE: 257000 -328.108 -116.275 -1.49584 -116.276 -254.886 -45.3445 -1.49657 -45.3441 -437.156 GPRESSURE: 257000 -291.347 45.0013 125.233 -9.71883 -205.183 -43.7581 -90.4617 -133.752 -435.043 PRESSAVG: 257000 -35.5365 19.7069 -3.95005 19.7069 1.81392 36.2149 -3.95004 36.215 29.0827 GPRESSAVG: 257000 -35.8278 18.1154 -1.8856 20.807 2.39993 35.4861 -7.43776 36.6754 28.7362 TIMING: 257000 CPU: 811.455, 0.0031293/step Wall: 811.455, 0.0031293/step, 4.12285 hours remaining, 232.058594 MB of memory in use. ENERGY: 257000 3979.8404 20340.1821 14532.2498 266.0799 -203524.5435 2802.3348 0.0000 0.0000 52193.5719 -109410.2846 299.9572 -161603.8565 -109034.2927 299.3547 -340.0500 -310.5242 763014.8735 -1.5466 -1.5639 PRESSURE: 257200 204.236 128.841 182.79 128.841 292.688 218.876 182.79 218.875 366.654 GPRESSURE: 257200 232.722 134.189 83.7322 100.374 310.294 186.22 96.2916 186.781 377.791 PRESSAVG: 257200 -18.5584 -0.450478 13.7849 -0.450462 39.8022 -7.22023 13.7849 -7.22029 -3.5386 GPRESSAVG: 257200 -17.4685 1.00692 11.2904 -1.7289 38.7267 -5.66292 16.4206 -8.22641 -3.0816 TIMING: 257200 CPU: 812.08, 0.00312348/step Wall: 812.08, 0.00312348/step, 4.11501 hours remaining, 232.058594 MB of memory in use. ENERGY: 257200 3979.1912 20619.3713 14498.4713 244.0626 -203128.5961 2704.4309 0.0000 0.0000 51735.1673 -109347.9015 297.3227 -161083.0688 -108994.1125 298.8704 287.8597 306.9357 763136.6686 5.9017 6.0589 PRESSURE: 257400 -151.578 51.7126 193.911 51.7129 -364.5 100.891 193.91 100.891 338.254 GPRESSURE: 257400 -118.829 78.1265 156.762 50.038 -263.614 -3.51349 110.227 40.7262 272.9 PRESSAVG: 257400 -29.6183 71.5412 -30.0601 71.5412 40.0578 -14.2606 -30.0601 -14.2606 -1.95476 GPRESSAVG: 257400 -29.3758 72.7881 -30.4965 69.9403 40.8788 -14.0926 -30.1659 -14.1165 -2.84891 TIMING: 257400 CPU: 812.709, 0.00314286/step Wall: 812.709, 0.00314286/step, 4.14037 hours remaining, 232.058594 MB of memory in use. ENERGY: 257400 3987.3845 20519.3083 14525.9962 240.0152 -203421.1144 2582.6534 0.0000 0.0000 52137.7700 -109427.9868 299.6365 -161565.7569 -109067.5460 299.1810 -59.2745 -36.5144 761735.7739 2.8282 2.8847 PRESSURE: 257600 429.942 -75.0675 32.2878 -75.0673 -13.4488 45.2346 32.2882 45.2347 95.7956 GPRESSURE: 257600 368.781 -34.619 116.984 -58.3766 46.8115 57.0181 -103.619 0.159701 185.066 PRESSAVG: 257600 -7.25552 -7.82699 -27.4075 -7.82696 -30.089 14.5115 -27.4074 14.5115 -6.63829 GPRESSAVG: 257600 -8.41674 -8.5559 -26.0358 -5.87292 -29.8842 14.6663 -27.6185 13.8576 -5.6209 TIMING: 257600 CPU: 813.337, 0.00314353/step Wall: 813.337, 0.00314353/step, 4.14107 hours remaining, 232.058594 MB of memory in use. ENERGY: 257600 3942.3937 20512.9293 14528.0678 248.8084 -203326.1292 2672.6952 0.0000 0.0000 52008.2215 -109413.0134 298.8920 -161421.2349 -109049.0912 298.7229 170.7630 200.2196 760349.9616 -14.6609 -14.6406 PRESSURE: 257800 -151.751 -90.2668 -155.881 -90.2659 -162.229 326.564 -155.881 326.564 114.357 GPRESSURE: 257800 -55.8591 15.4582 -249.432 -81.0499 -145.594 310.975 -27.7236 383.062 76.4505 PRESSAVG: 257800 -21.9197 -27.5121 1.29446 -27.5121 -12.356 -2.69082 1.29447 -2.69087 19.2673 GPRESSAVG: 257800 -21.0588 -28.4383 0.582602 -26.8484 -13.2888 -1.04457 2.76912 -3.015 19.1878 TIMING: 257800 CPU: 813.965, 0.00313782/step Wall: 813.965, 0.00313782/step, 4.13339 hours remaining, 232.058594 MB of memory in use. ENERGY: 257800 3959.9686 20369.6555 14517.8977 259.7178 -203130.7514 2561.8457 0.0000 0.0000 52005.9208 -109455.7453 298.8787 -161461.6661 -109098.8246 298.9398 -66.5412 -41.6676 761334.9772 -5.0028 -5.0533 PRESSURE: 258000 -5.69741 102.496 167.307 102.496 -241.238 -48.6988 167.307 -48.6988 -142.609 GPRESSURE: 258000 -22.2683 150.041 119.773 28.6633 -155.801 -71.7531 162.531 -51.9605 -130.635 PRESSAVG: 258000 -53.1356 -3.74592 12.2372 -3.74593 38.0968 29.8021 12.2373 29.802 -13.0924 GPRESSAVG: 258000 -54.9229 -3.81419 13.1519 -4.58172 38.6597 27.4526 11.3055 30.9505 -11.9402 TIMING: 258000 CPU: 814.59, 0.00312371/step Wall: 814.59, 0.00312371/step, 4.11463 hours remaining, 232.058594 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: 258000 3983.5877 20570.3886 14573.1458 259.4454 -203121.2872 2541.0426 0.0000 0.0000 52077.0061 -109116.6710 299.2873 -161193.6771 -108748.9076 299.1313 -129.8482 -102.9014 759822.4422 -9.3770 -9.4011 PRESSURE: 258200 -61.1575 29.8066 178.066 29.8076 437.629 110.184 178.066 110.184 -85.4479 GPRESSURE: 258200 -15.9354 32.2147 207.114 15.6332 419.088 192.302 261.79 20.1097 -25.3828 PRESSAVG: 258200 -17.6662 6.72611 -19.4698 6.7262 57.8309 -19.3442 -19.4698 -19.3442 -2.51438 GPRESSAVG: 258200 -16.1854 5.10956 -21.1779 8.69312 56.9848 -17.6615 -18.9184 -21.0392 -2.91223 TIMING: 258200 CPU: 815.211, 0.00310876/step Wall: 815.211, 0.00310876/step, 4.09475 hours remaining, 232.058594 MB of memory in use. ENERGY: 258200 3910.7925 20427.7925 14478.4994 255.5125 -203113.1926 2709.5139 0.0000 0.0000 52221.2606 -109109.8211 300.1163 -161331.0818 -108748.2439 300.3360 97.0080 125.9234 761057.6766 12.5501 12.6291 PRESSURE: 258400 -80.421 -76.6424 -11.4027 -76.6426 18.1946 -9.07228 -11.4024 -9.07144 170.979 GPRESSURE: 258400 31.6146 -110.758 10.5888 -55.9644 7.51671 5.5787 112.045 125.304 155.622 PRESSAVG: 258400 -26.9456 22.6804 48.7403 22.6804 41.5207 4.71303 48.7403 4.71306 21.7187 GPRESSAVG: 258400 -26.4856 24.4778 50.442 21.5926 41.5972 4.46085 47.4509 3.1467 20.5817 TIMING: 258400 CPU: 815.841, 0.00314664/step Wall: 815.841, 0.00314664/step, 4.14447 hours remaining, 232.058594 MB of memory in use. ENERGY: 258400 3993.9854 20403.5715 14456.3836 245.3235 -202822.6917 2464.7198 0.0000 0.0000 52123.0182 -109135.6898 299.5517 -161258.7080 -108766.8643 300.0141 36.2508 64.9178 762232.0599 12.0979 11.8978 PRESSURE: 258600 -70.5067 -180.328 -78.0821 -180.328 64.2274 -123.622 -78.0818 -123.623 34.3283 GPRESSURE: 258600 -13.1201 -90.3481 -165.107 -102.529 161.049 -124.015 -63.3421 -187.996 -20.6947 PRESSAVG: 258600 -11.6247 5.30698 56.1499 5.30695 -26.6736 7.87461 56.1499 7.87456 -1.8278 GPRESSAVG: 258600 -12.452 7.38235 53.7424 5.6191 -26.0699 7.6993 57.8816 11.0352 -1.52217 TIMING: 258600 CPU: 816.47, 0.00314419/step Wall: 816.47, 0.00314419/step, 4.14107 hours remaining, 232.058594 MB of memory in use. ENERGY: 258600 4037.2760 20319.9601 14442.6347 248.4491 -203029.3528 2633.0533 0.0000 0.0000 52303.8010 -109044.1786 300.5907 -161347.9796 -108678.6416 300.1343 9.3497 42.4113 762846.6948 -13.3754 -13.3480 PRESSURE: 258800 224.463 355.456 -139.485 355.455 7.14571 14.0958 -139.484 14.0954 123.752 GPRESSURE: 258800 330.587 315.834 -187.188 276.373 -67.3825 40.1357 -237.881 -0.781651 170.66 PRESSAVG: 258800 -23.1077 18.7923 2.627 18.7923 53.0391 -15.1269 2.62697 -15.1269 -6.57749 GPRESSAVG: 258800 -23.3382 17.7557 3.82032 19.7265 53.3146 -14.1697 0.506741 -17.6092 -6.07081 TIMING: 258800 CPU: 817.102, 0.00316416/step Wall: 817.102, 0.00316416/step, 4.1672 hours remaining, 232.058594 MB of memory in use. ENERGY: 258800 3919.7350 20512.5243 14514.5847 254.0766 -202884.3274 2512.2065 0.0000 0.0000 52085.0818 -109086.1183 299.3337 -161171.2001 -108726.6683 299.7434 118.4535 144.6217 761847.8405 7.7846 7.9685 PRESSURE: 259000 -203.387 16.3448 80.8664 16.3443 144.05 -105.351 80.8669 -105.351 -135.48 GPRESSURE: 259000 -156.978 82.3231 69.8237 59.9782 175.079 -176.93 133.24 -2.28389 -106.015 PRESSAVG: 259000 11.6338 1.81806 15.6937 1.81808 -9.61608 -30.6558 15.6937 -30.6557 21.315 GPRESSAVG: 259000 12.3354 0.732083 14.6993 0.185014 -10.666 -31.6153 18.1702 -29.3938 21.8801 TIMING: 259000 CPU: 817.729, 0.00313134/step Wall: 817.729, 0.00313134/step, 4.12381 hours remaining, 232.058594 MB of memory in use. ENERGY: 259000 3963.9972 20549.3338 14534.2565 254.0742 -203080.9857 2592.1813 0.0000 0.0000 52001.2010 -109185.9417 298.8516 -161187.1427 -108824.0097 299.3255 -64.9389 -29.3045 763449.2361 7.7776 7.8498 PRESSURE: 259200 266.585 -143.712 -146.744 -143.712 17.3948 141.81 -146.744 141.811 322.489 GPRESSURE: 259200 295.241 -131.96 -123.487 -237.471 52.8471 182.265 -252.96 177.554 335.923 PRESSAVG: 259200 80.9617 -9.07983 -1.99665 -9.07982 -71.042 -14.5607 -1.9967 -14.5607 -23.1435 GPRESSAVG: 259200 79.6506 -9.60805 -0.577464 -7.07499 -69.4417 -13.667 -2.43236 -14.7924 -23.6875 TIMING: 259200 CPU: 818.356, 0.00313454/step Wall: 818.356, 0.00313454/step, 4.12784 hours remaining, 232.058594 MB of memory in use. ENERGY: 259200 3947.2081 20458.9467 14526.2764 253.4870 -203339.6708 2826.8209 0.0000 0.0000 52202.4802 -109124.4515 300.0084 -161326.9317 -108759.6604 299.5516 202.1564 228.0038 761218.0793 -4.4079 -4.4929 PRESSURE: 259400 -85.3747 133.694 47.9065 133.694 -167.395 -72.1564 47.9061 -72.1568 -0.5058 GPRESSURE: 259400 -34.5101 57.4376 63.2153 126.158 -169.718 -93.6098 122.832 32.8928 7.94895 PRESSAVG: 259400 24.0027 41.0655 4.58247 41.0655 -10.7538 -2.74741 4.58241 -2.74742 -30.2142 GPRESSAVG: 259400 23.776 40.8864 5.44671 40.2829 -11.024 -3.36309 3.90818 -2.55787 -29.9167 TIMING: 259400 CPU: 818.982, 0.00313052/step Wall: 818.982, 0.00313052/step, 4.12238 hours remaining, 232.058594 MB of memory in use. ENERGY: 259400 4029.2271 20619.3999 14477.2646 248.2057 -203480.3794 2786.3262 0.0000 0.0000 52205.4759 -109114.4800 300.0256 -161319.9559 -108752.4608 299.9875 -84.4252 -65.4265 762871.2159 -5.6551 -5.7216 PRESSURE: 259600 141.252 -52.433 -25.7425 -52.4344 -143.527 -9.93408 -25.743 -9.93392 -402.168 GPRESSURE: 259600 2.38537 -71.0495 -60.4826 46.3836 50.8139 -116.601 -98.847 -53.1204 -375.013 PRESSAVG: 259600 -6.18728 19.2493 35.2519 19.2493 17.4783 -10.8414 35.252 -10.8413 -12.2574 GPRESSAVG: 259600 -6.50765 18.6329 33.9278 19.2783 17.1778 -11.443 35.1354 -11.3892 -11.3744 TIMING: 259600 CPU: 819.619, 0.00318681/step Wall: 819.619, 0.00318681/step, 4.19632 hours remaining, 232.058594 MB of memory in use. ENERGY: 259600 4023.4331 20649.4406 14549.0636 229.5258 -203528.6540 2843.5269 0.0000 0.0000 52017.3376 -109216.3264 298.9444 -161233.6639 -108849.3693 299.5175 -134.8141 -107.2713 762830.6692 -0.3221 -0.2347 PRESSURE: 259800 -36.1094 -132.167 140.991 -132.167 301.979 100.382 140.991 100.382 157.839 GPRESSURE: 259800 63.2349 -10.5131 265.536 -232.041 307.106 89.3373 52.2087 99.2185 169.717 PRESSAVG: 259800 5.26662 4.23442 70.7705 4.23437 25.8994 62.5766 70.7706 62.5767 10.4969 GPRESSAVG: 259800 7.21817 4.84775 72.0833 5.06998 25.0407 63.7444 71.7729 64.1923 9.09869 TIMING: 259800 CPU: 820.251, 0.00315803/step Wall: 820.251, 0.00315803/step, 4.15825 hours remaining, 232.058594 MB of memory in use. ENERGY: 259800 4047.8481 20462.5734 14555.6090 240.0592 -203727.7703 3147.6330 0.0000 0.0000 52154.1679 -109119.8796 299.7307 -161274.0475 -108754.5123 300.2161 141.2364 180.0195 762970.8369 13.8876 13.7858 PRESSURE: 260000 204.875 -58.402 51.5283 -58.4027 122.937 -16.8375 51.5279 -16.8377 20.5645 GPRESSURE: 260000 311.204 -89.1199 49.8144 19.7509 156.534 -95.8052 -4.20769 -116.897 -51.38 PRESSAVG: 260000 -50.4169 18.336 7.71378 18.336 17.4764 49.8206 7.71377 49.8206 -0.353081 GPRESSAVG: 260000 -51.2594 19.2802 5.38119 15.4208 17.9951 50.0288 8.7927 48.9278 0.0740014 TIMING: 260000 CPU: 820.881, 0.00315193/step Wall: 820.881, 0.00315193/step, 4.15004 hours remaining, 232.058594 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: 260000 3991.0887 20552.2478 14494.0346 239.4182 -203688.8209 3108.6702 0.0000 0.0000 52177.7305 -109125.6309 299.8661 -161303.3614 -108768.0007 299.9401 116.1256 138.7859 763159.8443 -11.0979 -11.0634 PRESSURE: 260200 -231.684 146.642 -24.918 146.642 13.8539 174.309 -24.9183 174.31 -126.939 GPRESSURE: 260200 -113.819 48.247 54.4621 138.652 -34.186 204.542 48.7247 145.833 -99.2265 PRESSAVG: 260200 12.4293 60.432 32.9835 60.432 30.8341 4.0647 32.9835 4.06473 -0.634547 GPRESSAVG: 260200 12.0943 57.8008 33.9082 64.2918 30.2246 4.4732 31.5552 5.82959 -0.065083 TIMING: 260200 CPU: 821.505, 0.00311917/step Wall: 821.505, 0.00311917/step, 4.10673 hours remaining, 232.058594 MB of memory in use. ENERGY: 260200 4039.0319 20539.5276 14524.0622 282.1586 -203960.2415 3280.8417 0.0000 0.0000 52250.5499 -109044.0696 300.2846 -161294.6196 -108678.2603 300.3909 -114.9231 -82.4105 764283.3281 14.2096 14.0846 LDB: ============= START OF LOAD BALANCING ============== 834.036 LDB: ============== END OF LOAD BALANCING =============== 834.037 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 834.038 LDB: ============= START OF LOAD BALANCING ============== 834.352 LDB: Largest compute 7031 load 0.029940 is 15.3% of average load 0.195063 LDB: Average compute 0.004404 is 2.3% of average load 0.195063 LDB: TIME 834.355 LOAD: AVG 0.195063 MAX 0.21658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.672 MB LDB: TIME 834.356 LOAD: AVG 0.195063 MAX 0.21658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.879 MB LDB: TIME 834.356 LOAD: AVG 0.195063 MAX 0.21658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.879 MB LDB: ============== END OF LOAD BALANCING =============== 834.358 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 834.362 PRESSURE: 260400 -55.1352 2.41696 -32.1183 2.41683 -76.6922 101.789 -32.1195 101.789 -151.143 GPRESSURE: 260400 6.93398 -67.0591 -31.6355 34.9294 -145.781 33.982 -108.947 145.407 -75.1921 PRESSAVG: 260400 -43.3916 19.4702 21.5507 19.4702 24.5395 38.5797 21.5506 38.5796 13.2478 GPRESSAVG: 260400 -43.5393 20.6874 21.001 17.4122 25.8912 39.1353 22.9646 36.8143 12.1256 TIMING: 260400 CPU: 822.146, 0.00320463/step Wall: 822.146, 0.00320463/step, 4.21907 hours remaining, 232.316406 MB of memory in use. ENERGY: 260400 4005.0148 20654.8638 14475.1353 253.3181 -203141.2136 2432.0039 0.0000 0.0000 52389.0758 -108931.8021 301.0807 -161320.8778 -108564.4610 300.4929 -94.3236 -71.3463 763056.3667 -1.8681 -1.8408 PRESSURE: 260600 65.3186 -40.0269 -99.0162 -40.0265 173.208 -267.114 -99.0166 -267.114 -121.833 GPRESSURE: 260600 30.2923 -36.9732 -106.212 24.0758 178.817 -238.23 42.385 -309.604 -5.26283 PRESSAVG: 260600 -15.6555 -6.37607 5.31988 -6.37608 2.57221 -3.90517 5.31977 -3.90511 8.94717 GPRESSAVG: 260600 -14.2554 -6.38792 6.34338 -5.87459 1.82462 -4.29234 5.41501 -5.05038 8.46961 TIMING: 260600 CPU: 822.774, 0.00313999/step Wall: 822.774, 0.00313999/step, 4.1338 hours remaining, 232.316406 MB of memory in use. ENERGY: 260600 4054.0906 20603.9711 14550.0100 249.0609 -202997.7942 2540.7167 0.0000 0.0000 52107.3218 -108892.6229 299.4615 -160999.9448 -108534.5056 300.0889 38.8980 67.9490 763315.5344 -1.3787 -1.3204 PRESSURE: 260800 92.9595 179.906 36.7864 179.907 -76.1575 -91.0911 36.7879 -91.0922 -310.988 GPRESSURE: 260800 114.85 257.29 20.9144 107.187 -41.4093 -47.945 -116.3 -107.477 -297.28 PRESSAVG: 260800 12.0823 58.9086 -18.0109 58.9087 -6.45851 -43.3426 -18.0109 -43.3426 23.3588 GPRESSAVG: 260800 11.3812 59.3928 -17.503 58.1503 -6.79234 -44.7377 -20.072 -43.5242 24.9037 TIMING: 260800 CPU: 823.402, 0.00313888/step Wall: 823.402, 0.00313888/step, 4.13216 hours remaining, 232.316406 MB of memory in use. ENERGY: 260800 4004.4772 20595.4627 14468.2339 246.7377 -203368.6512 2880.7857 0.0000 0.0000 52231.4057 -108941.5484 300.1746 -161172.9541 -108572.8786 300.2622 -98.0621 -74.6133 762992.5801 9.6608 9.8309 PRESSURE: 261000 121.263 -5.63007 3.30872 -5.63056 110.161 -79.1763 3.30849 -79.1764 -204.053 GPRESSURE: 261000 69.0944 -70.063 -37.0491 -108.517 208.792 -102.02 -108.797 -9.71028 -152.082 PRESSAVG: 261000 16.5677 45.65 -54.8691 45.65 -23.3371 12.8462 -54.8691 12.8461 8.24056 GPRESSAVG: 261000 17.1131 43.5249 -56.2918 43.7419 -23.9857 12.985 -55.1672 13.7109 8.40466 TIMING: 261000 CPU: 824.034, 0.0031599/step Wall: 824.034, 0.0031599/step, 4.15966 hours remaining, 232.316406 MB of memory in use. ENERGY: 261000 3999.8684 20575.5341 14441.6919 237.5036 -203411.2665 2866.5471 0.0000 0.0000 52282.4896 -109007.6317 300.4682 -161290.1214 -108644.1147 299.9932 9.1239 41.9350 762110.1211 0.4904 0.5107 PRESSURE: 261200 -350.537 -6.79163 -14.9528 -6.79185 -239.154 37.0097 -14.9532 37.01 -423.224 GPRESSURE: 261200 -305.985 -69.3611 1.31563 -21.9212 -168.765 34.2973 72.5794 -18.6944 -424.501 PRESSAVG: 261200 12.7079 1.24909 29.2133 1.24915 -47.82 10.4071 29.2133 10.4072 19.4266 GPRESSAVG: 261200 13.5634 2.655 28.6532 2.72776 -47.2904 9.22546 31.1857 11.4922 18.4827 TIMING: 261200 CPU: 824.668, 0.00317398/step Wall: 824.668, 0.00317398/step, 4.17801 hours remaining, 232.316406 MB of memory in use. ENERGY: 261200 4026.6529 20441.0348 14543.1324 241.3109 -203139.1259 2493.7061 0.0000 0.0000 52348.4616 -109044.8271 300.8473 -161393.2887 -108677.1968 299.6436 -337.6384 -299.7503 763184.8231 -5.2285 -5.0815 PRESSURE: 261400 27.7832 -142.205 349.722 -142.206 11.5901 121.739 349.722 121.74 138.237 GPRESSURE: 261400 101.987 -121.8 253.954 -46.1725 54.6786 15.2203 249.808 135.108 88.9702 PRESSAVG: 261400 34.0273 30.6022 28.6757 30.6022 4.96158 -12.5894 28.6758 -12.5894 16.3718 GPRESSAVG: 261400 32.5358 29.5749 27.3245 30.3949 5.08231 -10.4106 28.2107 -12.6389 17.8823 TIMING: 261400 CPU: 825.302, 0.00317004/step Wall: 825.302, 0.00317004/step, 4.17266 hours remaining, 232.316406 MB of memory in use. ENERGY: 261400 4081.4508 20405.5883 14499.6766 258.5463 -203419.3067 2761.3917 0.0000 0.0000 52256.5564 -109156.0965 300.3191 -161412.6529 -108791.1613 299.8779 59.2035 81.8787 761968.6286 18.4536 18.5002 PRESSURE: 261600 -146.095 46.0821 -192.66 46.0821 -335.744 -120.241 -192.66 -120.241 57.2641 GPRESSURE: 261600 -190.222 219.104 -251.729 -26.8283 -289.638 -84.072 -150.84 -149.8 127.207 PRESSAVG: 261600 41.0707 52.4506 29.9335 52.4506 -10.0953 -11.0656 29.9334 -11.0656 -17.0517 GPRESSAVG: 261600 41.0636 54.705 31.8982 53.9748 -10.345 -11.1901 28.9522 -12.9836 -16.9291 TIMING: 261600 CPU: 825.934, 0.00315679/step Wall: 825.934, 0.00315679/step, 4.15503 hours remaining, 232.316406 MB of memory in use. ENERGY: 261600 4053.5000 20582.2089 14463.1580 252.9372 -203274.7305 2662.7820 0.0000 0.0000 52068.7429 -109191.4015 299.2398 -161260.1444 -108832.4115 299.1560 -141.5249 -117.5509 762645.1670 4.6412 4.5965 PRESSURE: 261800 321.343 -24.7423 2.32706 -24.7427 -88.4651 -129.369 2.32687 -129.37 -66.7133 GPRESSURE: 261800 409.339 0.944384 -11.7917 -70.0511 -61.5881 -120.682 -55.4748 -42.4946 -89.6689 PRESSAVG: 261800 -25.421 0.890042 13.3209 0.890054 55.9935 -8.16025 13.321 -8.16017 -4.40337 GPRESSAVG: 261800 -25.5182 2.65637 13.1569 0.271876 57.1818 -8.44682 14.7304 -5.57919 -5.15691 TIMING: 261800 CPU: 826.566, 0.00316095/step Wall: 826.566, 0.00316095/step, 4.16034 hours remaining, 232.316406 MB of memory in use. ENERGY: 261800 4039.5035 20554.8261 14523.3977 236.0861 -203128.7962 2566.6238 0.0000 0.0000 52108.1205 -109100.2386 299.4661 -161208.3591 -108741.7874 300.1098 55.3881 86.0274 761273.8546 8.7230 8.8355 PRESSURE: 262000 -138.263 -117.479 -55.0591 -117.479 310.55 173.04 -55.0594 173.04 253.562 GPRESSURE: 262000 -48.4134 -153.016 -156.163 -108.289 360.704 165.42 -110.94 84.0519 185.689 PRESSAVG: 262000 16.3803 22.6753 14.0611 22.6753 -35.7596 -12.6633 14.0611 -12.6633 16.578 GPRESSAVG: 262000 16.987 22.0088 14.8154 21.9236 -36.6384 -11.9401 12.9207 -14.0138 16.4314 TIMING: 262000 CPU: 827.2, 0.00316819/step Wall: 827.2, 0.00316819/step, 4.16969 hours remaining, 232.316406 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: 262000 3979.6617 20587.6121 14506.5130 252.0911 -203431.9900 2811.4648 0.0000 0.0000 52162.1593 -109132.4880 299.7766 -161294.6473 -108780.3712 299.1875 141.9496 165.9932 761083.6650 -0.9338 -1.0733 PRESSURE: 262200 236.109 -224.083 0.583877 -224.082 -155.397 182.582 0.584018 182.581 212.206 GPRESSURE: 262200 220.857 -275.174 -46.0227 -226.63 -78.2287 88.0854 77.2129 161.651 234.34 PRESSAVG: 262200 52.5815 -26.9261 -13.8198 -26.9261 -60.9502 3.11942 -13.8198 3.11945 -6.18007 GPRESSAVG: 262200 51.1615 -26.2 -15.1179 -28.5184 -60.4091 2.39892 -14.5723 3.61938 -5.76064 TIMING: 262200 CPU: 827.826, 0.00313314/step Wall: 827.826, 0.00313314/step, 4.12339 hours remaining, 232.316406 MB of memory in use. ENERGY: 262200 3945.9819 20441.5012 14400.5754 219.4810 -203603.8289 3029.7650 0.0000 0.0000 52240.6912 -109325.8332 300.2280 -161566.5244 -108957.6993 299.5814 97.6394 125.6559 761506.8030 -4.8496 -5.0027 PRESSURE: 262400 -157.253 -22.4135 119.42 -22.4129 -304.242 -242.231 119.419 -242.231 -175.71 GPRESSURE: 262400 -160.482 -27.8931 100.418 -51.073 -238.305 -130.847 30.4782 -245.654 -143.884 PRESSAVG: 262400 8.44662 -30.6669 -21.9446 -30.6668 -55.2283 -0.683561 -21.9445 -0.683573 -30.4346 GPRESSAVG: 262400 9.64158 -33.0699 -21.0669 -29.5125 -55.4426 0.39209 -22.1089 0.251897 -31.0608 TIMING: 262400 CPU: 828.457, 0.00315218/step Wall: 828.457, 0.00315218/step, 4.14827 hours remaining, 232.316406 MB of memory in use. ENERGY: 262400 4018.7617 20652.2799 14449.9207 237.9783 -203530.2189 2879.2434 0.0000 0.0000 52082.7991 -109209.2358 299.3206 -161292.0349 -108855.7539 299.3590 -212.4019 -180.8903 762387.2937 -25.7388 -25.6206 PRESSURE: 262600 181.35 -142.294 -35.2143 -142.293 35.6406 -31.3272 -35.2146 -31.3273 71.7472 GPRESSURE: 262600 135.875 -137.538 -46.0837 -66.0485 150.841 -111.866 103.882 -36.79 84.9789 PRESSAVG: 262600 -3.28583 3.84188 -4.80862 3.8419 -33.6342 45.4215 -4.80863 45.4216 8.93727 GPRESSAVG: 262600 -3.57628 5.93405 -6.45747 4.40976 -33.0784 44.3523 -1.72028 45.109 9.1207 TIMING: 262600 CPU: 829.089, 0.0031644/step Wall: 829.089, 0.0031644/step, 4.16418 hours remaining, 232.316406 MB of memory in use. ENERGY: 262600 4044.0275 20517.0775 14488.9216 238.8156 -203401.6837 3012.7539 0.0000 0.0000 51867.2368 -109232.8509 298.0817 -161100.0876 -108882.0011 299.3590 96.2459 123.8982 763172.2299 -9.3276 -9.1780 PRESSURE: 262800 -281.895 43.1086 -396.158 43.1078 -185.433 266.443 -396.158 266.444 45.5891 GPRESSURE: 262800 -262.074 1.01268 -313.803 59.185 -74.7581 232.297 -324.874 314.211 7.51436 PRESSAVG: 262800 5.10639 35.1811 19.0303 35.1811 17.6535 3.23369 19.0303 3.23358 8.97547 GPRESSAVG: 262800 5.08187 32.1908 18.8674 35.5154 18.6256 3.78091 17.5224 3.05158 7.80934 TIMING: 262800 CPU: 829.727, 0.00318705/step Wall: 829.727, 0.00318705/step, 4.19381 hours remaining, 232.316406 MB of memory in use. ENERGY: 262800 4042.5838 20524.5533 14518.6023 244.1547 -203157.2360 2797.0681 0.0000 0.0000 51889.6052 -109140.6687 298.2103 -161030.2739 -108782.0861 299.5370 -140.5797 -109.7727 763719.7058 10.5784 10.5056 PRESSURE: 263000 -300.028 38.3074 166.191 38.3082 -301.465 -90.5163 166.191 -90.5187 -297.926 GPRESSURE: 263000 -232.899 17.3108 158.305 4.78402 -216.945 -128.984 168.533 -29.9197 -365.995 PRESSAVG: 263000 -6.48052 -25.1208 28.7317 -25.1208 -10.7927 40.3286 28.7317 40.3287 6.31039 GPRESSAVG: 263000 -6.52374 -24.5387 31.761 -23.8897 -11.4586 41.3893 27.9601 40.6659 7.15693 TIMING: 263000 CPU: 830.356, 0.00314336/step Wall: 830.356, 0.00314336/step, 4.13614 hours remaining, 232.316406 MB of memory in use. ENERGY: 263000 3953.2696 20513.6503 14558.0670 247.7202 -202946.2644 2471.8245 0.0000 0.0000 51921.2027 -109280.5302 298.3919 -161201.7329 -108927.5743 298.9742 -299.8063 -271.9463 763553.0161 -3.6543 -3.6085 PRESSURE: 263200 63.6846 124.767 399.326 124.768 282.661 91.3678 399.326 91.3687 211.745 GPRESSURE: 263200 94.1053 175.288 398.592 212.73 393.384 22.69 337.215 119.539 152.878 PRESSAVG: 263200 46.5212 -27.5697 11.2948 -27.5697 -44.4409 13.2208 11.2948 13.2209 3.52345 GPRESSAVG: 263200 46.65 -27.5348 11.5678 -30.7523 -44.0722 11.8064 8.48616 12.5757 2.7478 TIMING: 263200 CPU: 830.984, 0.00314165/step Wall: 830.984, 0.00314165/step, 4.13372 hours remaining, 232.316406 MB of memory in use. ENERGY: 263200 3958.0015 20467.9782 14513.9345 244.1659 -203422.9650 2828.2324 0.0000 0.0000 52139.0227 -109271.6299 299.6437 -161410.6526 -108899.0762 299.2956 186.0305 213.4558 762997.3572 1.8679 1.7752 PRESSURE: 263400 195.522 -64.9764 141.968 -64.9764 235.625 19.7873 141.968 19.7874 -18.5761 GPRESSURE: 263400 242.194 -47.9991 146.089 -97.2001 229.045 238.032 62.9759 -159.746 2.03291 PRESSAVG: 263400 -7.50223 12.3835 21.4071 12.3835 -14.5062 48.6914 21.4071 48.6914 -14.8895 GPRESSAVG: 263400 -6.79753 12.6981 22.2254 14.1512 -15.8249 50.2272 21.5601 49.7475 -14.2856 TIMING: 263400 CPU: 831.611, 0.00313463/step Wall: 831.611, 0.00313463/step, 4.12431 hours remaining, 232.316406 MB of memory in use. ENERGY: 263400 3936.0152 20605.6366 14488.2327 244.8447 -203167.0178 2767.4155 0.0000 0.0000 51826.5642 -109298.3089 297.8480 -161124.8730 -108939.8663 299.1833 137.5238 157.7572 764052.7248 -12.2993 -12.3027 PRESSURE: 263600 23.6384 15.4134 -129.112 15.4123 72.6982 168.975 -129.112 168.976 202.621 GPRESSURE: 263600 4.30335 -70.9472 -170.011 24.4835 106.886 126.371 -47.1693 234.671 243.54 PRESSAVG: 263600 25.1113 -12.8504 9.07766 -12.8503 -29.2681 21.0025 9.07766 21.0025 -24.6505 GPRESSAVG: 263600 23.8586 -12.2882 6.17847 -13.1396 -29.0865 19.3502 11.8936 20.1995 -23.738 TIMING: 263600 CPU: 832.24, 0.00314675/step Wall: 832.24, 0.00314675/step, 4.14008 hours remaining, 232.316406 MB of memory in use. ENERGY: 263600 4022.4294 20473.5316 14501.0690 241.1277 -203574.9237 3027.1988 0.0000 0.0000 52370.1065 -108939.4608 300.9717 -161309.5672 -108580.6741 299.4082 99.6526 118.2432 764016.1458 -9.6024 -9.6553 PRESSURE: 263800 91.7267 142.649 -82.8748 142.649 235.938 168.679 -82.8742 168.68 393.16 GPRESSURE: 263800 156.173 192.629 -84.0195 91.5973 244.446 182.548 -171.162 210.193 399.956 PRESSAVG: 263800 -25.8941 13.9304 -8.56077 13.9304 71.0813 -3.71672 -8.56073 -3.71672 10.6795 GPRESSAVG: 263800 -25.6828 12.8234 -7.08546 14.1607 71.1118 -2.23732 -9.93566 -3.6399 10.3609 TIMING: 263800 CPU: 832.867, 0.00313436/step Wall: 832.867, 0.00313436/step, 4.1236 hours remaining, 232.316406 MB of memory in use. ENERGY: 263800 3968.0625 20686.8349 14481.6769 236.2359 -203366.3972 2890.2792 0.0000 0.0000 52388.2102 -108715.0974 301.0758 -161103.3076 -108354.7417 299.8536 240.2748 266.8581 765139.1492 18.6222 18.5966 PRESSURE: 264000 -473.209 16.0125 65.301 16.0124 -220.799 59.9711 65.3013 59.9707 -169.767 GPRESSURE: 264000 -426.662 75.9783 17.1089 79.3399 -171.806 16.9676 25.2823 57.6076 -184.449 PRESSAVG: 264000 -31.0052 33.6511 -6.08778 33.6511 -12.0402 10.0128 -6.08781 10.0128 5.3786 GPRESSAVG: 264000 -30.7156 35.4328 -6.26953 34.835 -11.7821 8.122 -5.36101 9.72686 4.40715 TIMING: 264000 CPU: 833.497, 0.00314801/step Wall: 833.497, 0.00314801/step, 4.14138 hours remaining, 232.316406 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: 264000 4090.9465 20599.0512 14494.6850 251.4386 -202893.0560 2646.2239 0.0000 0.0000 52200.3622 -108610.3486 299.9962 -160810.7107 -108250.5709 299.9545 -287.9250 -260.9726 764463.8266 -12.5556 -12.6968 PRESSURE: 264200 265.534 68.4799 0.662999 68.4803 -17.2492 -134.093 0.662046 -134.094 -250.067 GPRESSURE: 264200 321.267 46.5993 -60.8759 96.7248 -2.15439 -139.386 15.2465 -171.83 -233.491 PRESSAVG: 264200 5.3114 15.9586 23.5189 15.9586 5.35366 4.80109 23.5189 4.801 2.57974 GPRESSAVG: 264200 4.81473 14.1373 23.366 16.1428 6.11904 5.33146 24.0545 6.28108 2.08787 TIMING: 264200 CPU: 834.128, 0.00315917/step Wall: 834.128, 0.00315917/step, 4.15588 hours remaining, 232.316406 MB of memory in use. ENERGY: 264200 3963.1926 20485.3104 14484.6928 239.1262 -202536.6665 2494.1039 0.0000 0.0000 52207.4717 -108662.7688 300.0371 -160870.2405 -108298.9775 300.3343 -0.5941 28.5408 763353.3079 4.4149 4.3405 LDB: ============= START OF LOAD BALANCING ============== 846.661 LDB: ============== END OF LOAD BALANCING =============== 846.661 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 846.663 LDB: ============= START OF LOAD BALANCING ============== 846.979 LDB: Largest compute 7029 load 0.029314 is 15.0% of average load 0.195119 LDB: Average compute 0.004372 is 2.2% of average load 0.195119 LDB: TIME 846.982 LOAD: AVG 0.195119 MAX 0.21678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.375 MB LDB: TIME 846.983 LOAD: AVG 0.195119 MAX 0.21678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.375 MB LDB: TIME 846.983 LOAD: AVG 0.195119 MAX 0.21678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.375 MB LDB: ============== END OF LOAD BALANCING =============== 846.985 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 846.989 PRESSURE: 264400 39.8867 -103.468 -27.5154 -103.468 56.2827 64.5603 -27.516 64.5607 119.345 GPRESSURE: 264400 52.0589 -117.559 -69.256 -144.12 54.7373 24.1929 -59.8906 193.762 220.593 PRESSAVG: 264400 -22.4911 12.0595 34.3279 12.0596 19.3839 -14.8328 34.3278 -14.8328 -2.30233 GPRESSAVG: 264400 -21.6499 11.4315 33.9369 11.3511 18.0619 -13.5182 35.0163 -16.1251 -1.84055 TIMING: 264400 CPU: 834.773, 0.0032213/step Wall: 834.773, 0.0032213/step, 4.23744 hours remaining, 232.058594 MB of memory in use. ENERGY: 264400 3961.7742 20555.8342 14548.7405 234.6026 -202727.9522 2407.5122 0.0000 0.0000 52165.0814 -108854.4071 299.7934 -161019.4884 -108502.1355 300.0788 71.8380 109.1297 762267.3239 -1.8032 -1.8095 PRESSURE: 264600 74.9559 240.366 190.01 240.366 -83.883 -157.889 190.008 -157.889 348.022 GPRESSURE: 264600 76.208 173.765 137.152 301.779 25.8415 -129.869 193.547 -152.009 325.245 PRESSAVG: 264600 5.27096 9.20715 91.3985 9.20715 11.1532 20.5545 91.3985 20.5545 -21.3283 GPRESSAVG: 264600 4.48819 10.3787 91.3007 8.47886 11.7836 20.2397 90.0975 19.4496 -21.495 TIMING: 264600 CPU: 835.406, 0.00316715/step Wall: 835.406, 0.00316715/step, 4.16603 hours remaining, 232.058594 MB of memory in use. ENERGY: 264600 4002.6812 20512.6281 14500.7136 250.5784 -203128.8709 2715.7898 0.0000 0.0000 52327.8855 -108818.5943 300.7291 -161146.4799 -108460.5241 299.8826 113.0317 142.4314 761410.5938 -1.6347 -1.7411 PRESSURE: 264800 -182.928 0.109581 -82.9269 0.110056 -271.313 16.415 -82.9267 16.4166 69.531 GPRESSURE: 264800 -237.576 -135.095 7.22666 -44.017 -148.215 -52.2334 106.275 51.6843 75.4713 PRESSAVG: 264800 -8.52968 41.3373 8.14057 41.3372 10.7557 30.9515 8.14055 30.9514 -8.48381 GPRESSAVG: 264800 -7.53646 39.9755 8.55806 41.3831 10.4833 30.4563 10.4529 32.3789 -8.94256 TIMING: 264800 CPU: 836.037, 0.00315432/step Wall: 836.037, 0.00315432/step, 4.14898 hours remaining, 232.058594 MB of memory in use. ENERGY: 264800 3940.9086 20708.1284 14467.4277 229.7696 -203015.4353 2478.2918 0.0000 0.0000 52174.4642 -109016.4451 299.8474 -161190.9092 -108655.4049 299.7341 -128.2365 -103.4398 762702.4829 -2.0859 -1.9986 PRESSURE: 265000 -90.0478 76.7379 8.87031 76.7373 -314.171 182.275 8.87017 182.275 178.084 GPRESSURE: 265000 -164.246 170.052 62.1327 -56.3986 -236.332 103.534 33.7411 359.041 245.078 PRESSAVG: 265000 36.659 -0.654225 40.1046 -0.654225 -8.17242 5.11282 40.1046 5.11278 -6.74491 GPRESSAVG: 265000 35.9465 0.221566 39.8686 -0.517995 -7.82127 3.14715 39.4854 5.69462 -5.97214 TIMING: 265000 CPU: 836.666, 0.00314412/step Wall: 836.666, 0.00314412/step, 4.1354 hours remaining, 232.058594 MB of memory in use. ENERGY: 265000 3927.8956 20678.7537 14432.4115 255.5812 -203012.0170 2622.8904 0.0000 0.0000 52161.7835 -108932.7012 299.7745 -161094.4846 -108567.9297 299.8867 -75.3781 -51.8333 762975.2316 7.2472 7.3844 PRESSURE: 265200 26.5941 29.4137 117.5 29.4136 97.7475 37.8709 117.5 37.8719 163.136 GPRESSURE: 265200 -43.2144 -26.5046 134.825 82.7803 161.175 -12.701 164.408 -78.0309 239.026 PRESSAVG: 265200 32.8317 70.2598 3.06644 70.2599 -17.2565 65.3818 3.06643 65.3818 7.02189 GPRESSAVG: 265200 31.8355 69.3279 3.06619 71.5221 -16.1128 67.0758 1.75544 62.8047 6.87818 TIMING: 265200 CPU: 837.296, 0.00314876/step Wall: 837.296, 0.00314876/step, 4.14132 hours remaining, 232.261719 MB of memory in use. ENERGY: 265200 3974.6946 20515.7122 14472.8933 246.3149 -203310.1447 2804.6587 0.0000 0.0000 52263.8608 -109032.0101 300.3611 -161295.8709 -108676.9700 299.7667 95.8258 118.9956 763699.6251 7.5324 7.5336 PRESSURE: 265400 -97.1217 136.065 -38.0707 136.065 146.76 39.3668 -38.0714 39.3663 -262.578 GPRESSURE: 265400 -114.009 199.211 -17.7953 122.662 206.998 55.2121 -151.623 -8.94058 -229.133 PRESSAVG: 265400 -30.9023 79.9483 58.7167 79.9483 43.9447 27.4355 58.7167 27.4354 9.66194 GPRESSAVG: 265400 -29.1954 80.4265 58.3471 82.1479 43.1597 27.0342 60.0302 28.7514 9.11074 TIMING: 265400 CPU: 837.928, 0.0031635/step Wall: 837.928, 0.0031635/step, 4.16053 hours remaining, 232.261719 MB of memory in use. ENERGY: 265400 3994.1403 20793.5353 14528.4667 243.6930 -203345.0882 2767.0996 0.0000 0.0000 51970.7224 -109047.4309 298.6765 -161018.1534 -108690.8856 300.0047 -70.9801 -45.3814 762869.7916 7.5681 7.6917 PRESSURE: 265600 -61.8488 224.654 -48.0399 224.654 33.8928 81.6435 -48.0398 81.6427 20.0221 GPRESSURE: 265600 -22.301 103.068 -108.649 179.43 96.3652 80.7803 -56.8815 72.5264 -4.07336 PRESSAVG: 265600 -2.04629 -6.16407 54.8283 -6.16409 -31.1938 8.54099 54.8284 8.54097 7.89485 GPRESSAVG: 265600 -1.88424 -7.78757 56.7941 -8.25866 -30.3594 7.82074 54.5595 9.61479 7.23309 TIMING: 265600 CPU: 838.558, 0.00314931/step Wall: 838.558, 0.00314931/step, 4.14169 hours remaining, 232.261719 MB of memory in use. ENERGY: 265600 3945.3612 20631.2455 14453.4928 240.2183 -203070.9987 2505.1766 0.0000 0.0000 52151.5609 -109143.9434 299.7157 -161295.5043 -108778.4320 299.7011 -2.6447 23.3303 762124.4166 -8.4484 -8.3369 PRESSURE: 265800 -159.738 -34.8455 -165.521 -34.8453 48.5757 122.771 -165.52 122.771 140.084 GPRESSURE: 265800 -72.7579 -9.53152 -193.637 -13.5056 25.3221 187.506 -150.19 95.7768 162.017 PRESSAVG: 265800 -83.9201 -42.1579 50.759 -42.1578 79.141 7.56892 50.759 7.56894 -17.5487 GPRESSAVG: 265800 -83.4648 -39.5281 49.415 -43.1165 77.9787 10.6791 50.7753 5.7776 -17.0785 TIMING: 265800 CPU: 839.192, 0.00316817/step Wall: 839.192, 0.00316817/step, 4.16632 hours remaining, 232.261719 MB of memory in use. ENERGY: 265800 4018.5416 20527.4891 14461.5244 242.5701 -203548.8911 2818.5348 0.0000 0.0000 52474.1149 -109006.1162 301.5695 -161480.2311 -108632.9436 299.6171 9.6406 38.1939 762537.0711 -7.4426 -7.5216 PRESSURE: 266000 -79.8399 -24.9268 379.981 -24.9272 -30.3109 64.9519 379.982 64.9515 -86.3581 GPRESSURE: 266000 -46.3756 -9.9966 374.318 -52.267 -4.68965 50.1311 373.564 106.608 -74.4611 PRESSAVG: 266000 -4.23717 -25.8167 56.3737 -25.8167 11.7362 30.3656 56.3736 30.3656 -1.79765 GPRESSAVG: 266000 -5.26023 -27.8029 56.0259 -24.7718 12.5054 29.0045 58.3538 32.6343 -1.51458 TIMING: 266000 CPU: 839.823, 0.00315628/step Wall: 839.823, 0.00315628/step, 4.1505 hours remaining, 232.261719 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: 266000 3992.5030 20595.7441 14545.8810 257.6503 -203266.9561 2671.4255 0.0000 0.0000 52032.2666 -109171.4856 299.0302 -161203.7521 -108805.5711 300.2332 -65.5029 -41.8421 764433.9249 1.9005 1.9102 PRESSURE: 266200 233.142 -43.3059 151.706 -43.3064 313.224 131.013 151.706 131.013 -131.853 GPRESSURE: 266200 167.613 -64.5873 154.722 -79.3879 431.853 130.665 31.3107 217.769 -117.364 PRESSAVG: 266200 -11.5151 40.3639 35.242 40.3639 16.1292 10.9116 35.2419 10.9117 0.741989 GPRESSAVG: 266200 -12.0517 41.6555 36.7922 38.6241 16.3549 9.4935 32.1693 10.235 0.20274 TIMING: 266200 CPU: 840.458, 0.0031748/step Wall: 840.458, 0.0031748/step, 4.17469 hours remaining, 232.261719 MB of memory in use. ENERGY: 266200 4012.0776 20547.5771 14570.7114 265.1643 -203568.0767 2721.9868 0.0000 0.0000 52360.1488 -109090.4108 300.9145 -161450.5595 -108722.9574 300.1277 138.1709 160.7008 761108.9032 1.7853 1.5020 PRESSURE: 266400 -55.8785 -123.812 -159.811 -123.81 -316.96 -169.811 -159.812 -169.813 70.7852 GPRESSURE: 266400 -85.2483 -146.711 -168.695 -269.646 -194.324 -326.253 -163.665 15.8188 52.5598 PRESSAVG: 266400 -23.6517 -25.8156 -1.26675 -25.8155 15.1712 -17.3122 -1.26678 -17.3123 15.0764 GPRESSAVG: 266400 -22.9587 -26.8967 -2.04506 -24.9255 14.4126 -17.452 0.350036 -16.0575 15.2806 TIMING: 266400 CPU: 841.095, 0.00318287/step Wall: 841.095, 0.00318287/step, 4.18511 hours remaining, 232.261719 MB of memory in use. ENERGY: 266400 3965.2175 20594.5548 14474.0977 244.8443 -202826.2189 2197.8766 0.0000 0.0000 52122.4675 -109227.1604 299.5485 -161349.6280 -108860.9136 300.0389 -100.6843 -75.6707 763357.2530 2.1987 2.2448 PRESSURE: 266600 155.863 -29.0576 133.419 -29.0569 -222.125 92.154 133.419 92.1533 102.328 GPRESSURE: 266600 222.928 -86.1346 215.864 -69.1563 -151.418 110.889 -73.0881 -39.2404 67.3291 PRESSAVG: 266600 46.997 9.41485 17.0563 9.41492 -22.5364 -26.0684 17.0562 -26.0685 -9.82895 GPRESSAVG: 266600 46.3222 8.55845 17.7599 10.8525 -21.8874 -25.246 15.6265 -27.2029 -9.08479 TIMING: 266600 CPU: 841.73, 0.00317789/step Wall: 841.73, 0.00317789/step, 4.1784 hours remaining, 232.261719 MB of memory in use. ENERGY: 266600 3989.5123 20466.4929 14507.7848 245.8335 -203382.3382 2688.1849 0.0000 0.0000 52323.7037 -109160.8260 300.7050 -161484.5297 -108784.9081 300.1591 12.0220 46.2799 763799.5684 4.8772 5.1167 PRESSURE: 266800 -196.197 173.788 -183.762 173.787 -578.647 44.1783 -183.762 44.1801 -96.998 GPRESSURE: 266800 -136.848 180.157 -214.8 262.361 -536.81 33.698 -137.447 86.9333 -103.392 PRESSAVG: 266800 12.7353 -2.0275 -16.6616 -2.02755 -44.8502 14.4433 -16.6616 14.4434 8.38335 GPRESSAVG: 266800 11.9994 -3.32578 -17.5534 -1.43211 -44.6492 15.7314 -18.285 14.328 8.78897 TIMING: 266800 CPU: 842.362, 0.00316161/step Wall: 842.362, 0.00316161/step, 4.15682 hours remaining, 232.261719 MB of memory in use. ENERGY: 266800 4042.4451 20476.1387 14521.3355 241.0618 -203454.9387 2690.6918 0.0000 0.0000 51972.8651 -109510.4006 298.6888 -161483.2658 -109149.2449 298.8608 -290.6140 -259.0167 763111.3863 -7.9105 -7.9536 PRESSURE: 267000 -27.3385 265.096 174.821 265.096 100.555 28.6144 174.822 28.6143 -88.7471 GPRESSURE: 267000 -27.0445 285.834 195.527 218.259 96.1966 6.9128 194.476 29.9182 14.2809 PRESSAVG: 267000 -13.8071 19.0238 16.4769 19.0238 15.319 10.951 16.477 10.951 7.65516 GPRESSAVG: 267000 -12.6917 22.395 17.1394 15.4767 14.2626 10.801 17.5313 11.144 7.6699 TIMING: 267000 CPU: 842.992, 0.00314666/step Wall: 842.992, 0.00314666/step, 4.13699 hours remaining, 232.261719 MB of memory in use. ENERGY: 267000 3971.8337 20632.7362 14493.4630 235.4599 -203585.7428 2842.0396 0.0000 0.0000 52066.1986 -109344.0118 299.2252 -161410.2103 -108990.0680 299.0013 -5.1770 27.8110 763180.2792 3.0557 3.0803 PRESSURE: 267200 -92.9755 33.4429 120.393 33.4428 -121.328 66.8563 120.394 66.8562 210.034 GPRESSURE: 267200 -59.1927 98.2174 166.288 103.969 -125.909 16.5193 -6.62053 -100.618 279.135 PRESSAVG: 267200 4.01117 25.3792 14.8301 25.3792 -40.1969 -3.30608 14.8301 -3.30611 -43.2939 GPRESSAVG: 267200 3.18153 26.0869 14.2024 27.1353 -38.8799 -4.50777 16.2397 -4.74251 -43.6595 TIMING: 267200 CPU: 843.621, 0.00314563/step Wall: 843.621, 0.00314563/step, 4.13545 hours remaining, 232.261719 MB of memory in use. ENERGY: 267200 3978.7882 20726.3329 14530.1176 264.5168 -203721.5354 2701.4352 0.0000 0.0000 52075.9682 -109444.3765 299.2813 -161520.3447 -109087.8904 299.3726 -1.4233 31.3442 763303.9333 -26.4932 -26.4526 PRESSURE: 267400 170.138 -111.765 -0.0900826 -111.763 -289.746 -193.547 -0.0889529 -193.546 -201.868 GPRESSURE: 267400 161.43 -245.045 -58.8664 -156.857 -239.228 -149.004 52.8099 -158.713 -160.923 PRESSAVG: 267400 49.0827 30.1814 -0.154758 30.1814 -40.0937 19.7256 -0.154747 19.7255 1.98718 GPRESSAVG: 267400 50.5474 29.1254 0.132423 28.7583 -41.8031 20.1171 -1.92338 20.328 2.00356 TIMING: 267400 CPU: 844.252, 0.00315357/step Wall: 844.252, 0.00315357/step, 4.14572 hours remaining, 232.261719 MB of memory in use. ENERGY: 267400 4027.1452 20674.8034 14545.7296 247.3106 -203691.2204 2896.4245 0.0000 0.0000 51904.9362 -109394.8707 298.2984 -161299.8069 -109027.5834 299.0149 -107.1585 -79.5737 764272.2816 3.6587 3.5826 PRESSURE: 267600 -220.371 90.8666 -191.588 90.8665 -81.9921 47.6849 -191.587 47.6861 -153.01 GPRESSURE: 267600 -199.331 53.773 -142.973 134.124 -30.8654 62.4125 -109.78 3.89951 -167.695 PRESSAVG: 267600 6.73789 9.35714 13.7623 9.35717 14.1786 -21.8949 13.7623 -21.8949 8.30476 GPRESSAVG: 267600 5.41684 8.60059 12.8077 13.2563 13.7122 -21.9114 13.4064 -21.7715 10.1403 TIMING: 267600 CPU: 844.885, 0.00316776/step Wall: 844.885, 0.00316776/step, 4.16419 hours remaining, 232.261719 MB of memory in use. ENERGY: 267600 4043.0652 20495.4108 14543.3099 254.4294 -203207.2624 2587.5018 0.0000 0.0000 51697.2212 -109586.3240 297.1046 -161283.5452 -109235.4420 298.9586 -151.7912 -132.6304 762521.2738 9.7404 9.7565 PRESSURE: 267800 -355.432 -4.58463 43.4649 -4.58476 -256.122 -170.965 43.4648 -170.966 -257.836 GPRESSURE: 267800 -311.482 -67.5366 -32.3994 -33.0985 -288.242 -239.02 118.147 1.51417 -176.97 PRESSAVG: 267800 40.0008 2.75842 6.66424 2.75844 -64.014 5.78323 6.66426 5.78317 6.71677 GPRESSAVG: 267800 40.8295 1.08613 6.80786 1.19413 -63.5007 6.31926 7.75902 7.74866 5.43168 TIMING: 267800 CPU: 845.517, 0.00315849/step Wall: 845.517, 0.00315849/step, 4.15183 hours remaining, 232.261719 MB of memory in use. ENERGY: 267800 4027.6637 20409.4258 14509.1617 234.4904 -203221.5166 2481.4402 0.0000 0.0000 51986.0620 -109573.2727 298.7646 -161559.3348 -109206.7751 298.7283 -289.7968 -258.8983 762432.8314 -5.7655 -5.7465 PRESSURE: 268000 260.788 28.0342 -163.578 28.0342 155.053 -42.574 -163.578 -42.5726 -201.281 GPRESSURE: 268000 329.759 68.642 -101.933 85.6689 245.115 59.9236 -168.218 -19.615 -277.943 PRESSAVG: 268000 -1.15854 -57.2154 26.4138 -57.2153 10.1249 -5.57923 26.4138 -5.57931 -0.27844 GPRESSAVG: 268000 -1.24378 -55.8935 27.9078 -57.063 10.9705 -5.39891 26.4395 -7.50875 -1.14554 TIMING: 268000 CPU: 846.145, 0.00313976/step Wall: 846.145, 0.00313976/step, 4.12704 hours remaining, 232.261719 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: 268000 3966.7488 20527.5506 14483.9290 241.5734 -203429.5675 2668.4565 0.0000 0.0000 52338.9216 -109202.3876 300.7925 -161541.3092 -108838.7896 299.3615 71.5199 98.9767 761050.8291 2.8960 2.8604 PRESSURE: 268200 207.562 -80.6906 -15.3016 -80.69 -140.994 106.729 -15.3014 106.73 -179.177 GPRESSURE: 268200 215.93 -73.2525 -0.215751 -90.6924 -95.5872 111.068 -132.757 135.68 -162.125 PRESSAVG: 268200 -32.6386 8.57028 42.1672 8.5703 -8.08292 50.7934 42.1672 50.7934 -22.4842 GPRESSAVG: 268200 -32.9541 9.91677 41.2042 9.95704 -7.60484 50.0925 41.6339 51.7262 -22.8083 TIMING: 268200 CPU: 846.776, 0.00315412/step Wall: 846.776, 0.00315412/step, 4.14574 hours remaining, 232.261719 MB of memory in use. ENERGY: 268200 4022.2705 20538.8995 14530.0099 234.8462 -203154.7971 2681.1278 0.0000 0.0000 51956.8480 -109190.7954 298.5967 -161147.6433 -108835.7817 299.7154 -37.5362 -13.9275 759851.5619 -21.0686 -21.1224 LDB: ============= START OF LOAD BALANCING ============== 859.308 LDB: ============== END OF LOAD BALANCING =============== 859.308 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 859.31 LDB: ============= START OF LOAD BALANCING ============== 859.626 LDB: Largest compute 7059 load 0.030858 is 15.8% of average load 0.195033 LDB: Average compute 0.004382 is 2.2% of average load 0.195033 LDB: TIME 859.63 LOAD: AVG 0.195033 MAX 0.216016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.227 MB LDB: TIME 859.63 LOAD: AVG 0.195033 MAX 0.216016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.227 MB LDB: TIME 859.63 LOAD: AVG 0.195033 MAX 0.216016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.227 MB LDB: ============== END OF LOAD BALANCING =============== 859.632 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 859.637 PRESSURE: 268400 -39.653 0.882995 68.8601 0.883528 176.419 -116.41 68.8604 -116.411 217.922 GPRESSURE: 268400 56.5025 44.4331 65.1601 82.8665 113.633 -156.714 177.086 -212.951 276.647 PRESSAVG: 268400 -4.56933 -6.88491 -24.6741 -6.88489 -17.8945 -28.989 -24.6742 -28.9889 5.86925 GPRESSAVG: 268400 -5.09738 -6.24938 -24.1329 -8.78771 -18.8748 -27.8306 -24.8228 -29.637 7.28353 TIMING: 268400 CPU: 847.42, 0.00322102/step Wall: 847.42, 0.00322102/step, 4.2335 hours remaining, 232.058594 MB of memory in use. ENERGY: 268400 3965.9938 20605.2240 14412.2417 242.3018 -202668.6445 2381.6922 0.0000 0.0000 51847.6804 -109213.5106 297.9693 -161061.1910 -108852.1245 299.6867 118.2294 148.9276 763242.2000 -5.5315 -5.5629 PRESSURE: 268600 264.349 217.738 106.551 217.736 -255.369 33.6782 106.551 33.6786 39.948 GPRESSURE: 268600 252.199 57.6431 7.46254 138.644 -218.166 85.4017 51.6513 78.1444 79.2393 PRESSAVG: 268600 -4.37459 57.4788 7.50004 57.4787 -12.8031 -21.6276 7.5001 -21.6276 -12.755 GPRESSAVG: 268600 -3.09681 56.526 8.27231 57.0751 -13.1418 -21.8767 7.94417 -21.9931 -13.4012 TIMING: 268600 CPU: 848.049, 0.00314595/step Wall: 848.049, 0.00314595/step, 4.13465 hours remaining, 232.058594 MB of memory in use. ENERGY: 268600 3942.1529 20674.4866 14436.8256 227.4939 -203353.0981 2731.0817 0.0000 0.0000 51987.1629 -109353.8945 298.7709 -161341.0574 -108995.0510 299.3765 16.3094 37.7577 761443.0079 -9.9776 -9.8800 PRESSURE: 268800 -244.106 -64.6154 66.2396 -64.617 -159.622 186.603 66.2396 186.602 -35.1795 GPRESSURE: 268800 -286.854 -58.1364 -20.5958 -158.09 -80.129 58.9159 35.2002 143.833 -13.0585 PRESSAVG: 268800 -9.7077 -26.5125 -58.5697 -26.5125 62.9343 -37.9514 -58.5697 -37.9514 -1.42656 GPRESSAVG: 268800 -10.7844 -26.2876 -60.5694 -26.8372 63.9814 -39.6265 -58.2935 -36.9289 -2.01664 TIMING: 268800 CPU: 848.679, 0.00315158/step Wall: 848.679, 0.00315158/step, 4.14188 hours remaining, 232.046875 MB of memory in use. ENERGY: 268800 4088.7086 20373.7687 14481.8170 246.3194 -203204.0341 2453.8928 0.0000 0.0000 52292.3898 -109267.1378 300.5251 -161559.5276 -108913.0933 299.3713 -146.3023 -126.6806 760829.9530 17.2667 17.0601 PRESSURE: 269000 132.863 -13.4757 -193.135 -13.4762 139.417 59.2614 -193.134 59.2618 118.175 GPRESSURE: 269000 134.322 32.0314 -233.707 -79.611 180.194 136.98 -156.408 -6.28912 152.51 PRESSAVG: 269000 -13.7481 -43.5952 -33.447 -43.5952 0.0707676 -3.02604 -33.447 -3.02606 0.856474 GPRESSAVG: 269000 -13.4511 -43.9534 -32.5107 -43.3236 -1.15406 -2.1218 -33.679 -3.58083 1.34085 TIMING: 269000 CPU: 849.309, 0.00314567/step Wall: 849.309, 0.00314567/step, 4.13393 hours remaining, 232.046875 MB of memory in use. ENERGY: 269000 4035.4568 20484.7367 14492.7680 231.8327 -203390.3892 2809.1483 0.0000 0.0000 51867.7959 -109468.6509 298.0849 -161336.4468 -109111.6140 299.1106 130.1518 155.6753 759722.8805 -4.2736 -4.4214 PRESSURE: 269200 -109.165 17.9194 413.162 17.9193 18.4898 114.379 413.163 114.379 -111.274 GPRESSURE: 269200 -40.3521 30.1419 307.531 66.549 -57.6879 211.017 295.012 89.2132 -24.449 PRESSAVG: 269200 21.5813 -58.7614 2.9244 -58.7614 -3.90617 -19.2311 2.92449 -19.2311 -8.49174 GPRESSAVG: 269200 20.8648 -58.0371 2.42298 -57.2418 -4.1137 -19.515 2.99551 -18.379 -8.26441 TIMING: 269200 CPU: 849.933, 0.00312337/step Wall: 849.933, 0.00312337/step, 4.10445 hours remaining, 232.058594 MB of memory in use. ENERGY: 269200 3967.3638 20490.7214 14421.9563 276.9344 -202972.7021 2517.9167 0.0000 0.0000 52080.8281 -109216.9813 299.3092 -161297.8094 -108862.8861 299.4970 -67.3165 -40.8297 761856.5909 3.0611 2.8289 PRESSURE: 269400 -180.955 35.8016 -206.147 35.8019 -78.4384 243.082 -206.147 243.081 -514.648 GPRESSURE: 269400 -90.3932 18.0519 -231.731 -22.041 -41.6635 270.293 -210.415 268.123 -555.582 PRESSAVG: 269400 -27.597 -21.8895 6.49064 -21.8895 31.7165 27.998 6.49059 27.998 -3.59709 GPRESSAVG: 269400 -26.9438 -21.4922 5.8322 -22.596 30.9856 28.3266 7.92574 27.4288 -3.51647 TIMING: 269400 CPU: 850.56, 0.00313194/step Wall: 850.56, 0.00313194/step, 4.11555 hours remaining, 232.058594 MB of memory in use. ENERGY: 269400 4015.3480 20574.1614 14563.5427 256.7211 -203030.6244 2441.4760 0.0000 0.0000 51988.2361 -109191.1391 298.7771 -161179.3752 -108831.2593 299.6034 -258.0140 -229.2128 761944.6619 0.1741 0.1751 PRESSURE: 269600 44.9225 -58.4668 206.891 -58.4667 -263.132 38.6035 206.891 38.6028 141.516 GPRESSURE: 269600 79.2263 -111.959 173.388 -57.817 -197.353 18.7177 138.928 -27.3447 158.134 PRESSAVG: 269600 -14.4175 -40.6335 -23.2238 -40.6334 -31.226 2.84194 -23.2238 2.84194 10.744 GPRESSAVG: 269600 -14.8873 -42.2514 -21.1145 -38.1797 -28.7045 4.05005 -24.639 2.71651 9.33955 TIMING: 269600 CPU: 851.186, 0.00313255/step Wall: 851.186, 0.00313255/step, 4.11617 hours remaining, 232.058594 MB of memory in use. ENERGY: 269600 4003.7330 20598.1177 14497.1248 230.7606 -203170.6949 2605.6809 0.0000 0.0000 52046.9671 -109188.3109 299.1146 -161235.2780 -108830.4217 299.7517 -25.5648 13.3357 760567.2056 -11.6332 -11.4174 PRESSURE: 269800 155.732 -96.2218 -89.7098 -96.2224 245.388 -78.8322 -89.7098 -78.8322 548.837 GPRESSURE: 269800 196.175 -6.69129 -97.8523 -82.829 242.826 -104.35 47.7501 -18.4517 591.038 PRESSAVG: 269800 -17.256 16.3047 7.77844 16.3047 16.5615 23.7988 7.77842 23.7988 1.71142 GPRESSAVG: 269800 -16.7204 17.742 8.10143 14.5859 14.7044 22.787 4.83337 24.9738 3.20018 TIMING: 269800 CPU: 851.814, 0.00313766/step Wall: 851.814, 0.00313766/step, 4.12271 hours remaining, 232.058594 MB of memory in use. ENERGY: 269800 3925.5703 20580.1313 14550.9551 256.7503 -203561.8447 2943.5640 0.0000 0.0000 52145.4089 -109159.4649 299.6804 -161304.8738 -108792.5216 299.6672 316.6526 343.3466 760986.1642 0.3390 0.3947 PRESSURE: 270000 -356.08 103.82 -7.70683 103.821 -299.466 7.33408 -7.70685 7.33452 -61.8631 GPRESSURE: 270000 -278.374 54.6473 37.2532 128.941 -305.477 59.3384 11.4189 -39.0643 -42.6538 PRESSAVG: 270000 -1.20036 -21.3661 -1.40561 -21.3661 -19.1733 22.152 -1.40572 22.152 -27.2602 GPRESSAVG: 270000 -1.91881 -21.2749 -2.07847 -22.597 -18.8024 21.4043 0.739669 20.9606 -26.5218 TIMING: 270000 CPU: 852.44, 0.00313274/step Wall: 852.44, 0.00313274/step, 4.11607 hours remaining, 232.058594 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: 270000 3948.7731 20568.7434 14475.9804 250.2397 -202526.4704 1984.9166 0.0000 0.0000 51991.5752 -109306.2419 298.7963 -161297.8171 -108935.5141 299.2269 -239.1362 -208.8351 762520.8335 -15.8780 -15.7477 PRESSURE: 270200 119.239 56.74 -274.623 56.7384 199.468 170.526 -274.622 170.525 7.30054 GPRESSURE: 270200 210.193 173.289 -265.311 80.5826 153.222 140.89 -161.787 170.228 45.4697 PRESSAVG: 270200 -25.1276 -3.2429 14.2285 -3.24293 0.429746 16.1551 14.2285 16.155 12.5809 GPRESSAVG: 270200 -26.0541 -4.08994 14.6979 -1.06972 1.2357 16.2522 13.2935 17.6311 12.8294 TIMING: 270200 CPU: 853.069, 0.00314286/step Wall: 853.069, 0.00314286/step, 4.12919 hours remaining, 232.058594 MB of memory in use. ENERGY: 270200 3991.1529 20503.4104 14464.0564 243.8771 -203045.0830 2253.7373 0.0000 0.0000 52199.5259 -109389.3231 299.9914 -161588.8490 -109025.7623 298.9608 108.6689 136.2949 759389.1642 -4.0390 -3.9964 PRESSURE: 270400 217.87 134.254 -66.3491 134.255 -230.396 51.2523 -66.3495 51.2527 -43.3541 GPRESSURE: 270400 258.947 170.869 59.0963 -55.7966 -190.81 61.8794 -85.3862 32.7421 -33.1579 PRESSAVG: 270400 21.0958 -5.33068 23.0151 -5.33065 25.5884 -5.28683 23.0151 -5.2869 -0.400807 GPRESSAVG: 270400 21.8657 -5.75046 22.9005 -7.09666 24.3433 -5.70911 24.1572 -5.00559 0.0856117 TIMING: 270400 CPU: 853.701, 0.00316232/step Wall: 853.701, 0.00316232/step, 4.15459 hours remaining, 232.058594 MB of memory in use. ENERGY: 270400 4048.0788 20508.5676 14467.0505 252.2465 -203057.2563 2652.4587 0.0000 0.0000 51815.0977 -109313.7565 297.7821 -161128.8542 -108952.7354 298.9587 -18.6266 11.6596 759894.5032 15.4278 15.4316 PRESSURE: 270600 133.596 42.8022 -152.462 42.8031 12.3927 224.509 -152.462 224.508 77.6543 GPRESSURE: 270600 109.892 -153.225 -139.289 59.6835 148.029 256.763 -128.762 229.89 64.8468 PRESSAVG: 270600 9.59792 -46.6534 41.3893 -46.6534 -19.002 -8.64062 41.3893 -8.64062 8.66716 GPRESSAVG: 270600 10.8241 -46.7379 40.9734 -44.959 -18.3745 -7.72013 41.3127 -10.5572 6.67393 TIMING: 270600 CPU: 854.331, 0.00314842/step Wall: 854.331, 0.00314842/step, 4.13615 hours remaining, 232.058594 MB of memory in use. ENERGY: 270600 4051.2307 20478.3512 14503.7858 257.5843 -203217.2645 2796.5905 0.0000 0.0000 51916.7866 -109212.9354 298.3665 -161129.7220 -108850.5938 299.3884 74.5477 107.5893 760758.9254 -0.2456 -0.2922 PRESSURE: 270800 -266.24 74.1062 172.109 74.1071 -50.9899 -283.465 172.11 -283.466 365.371 GPRESSURE: 270800 -287.567 65.1888 190.666 65.1763 52.1381 -251.059 49.0673 -320.442 351.783 PRESSAVG: 270800 -2.28366 -2.5903 92.069 -2.59039 20.9608 -2.40701 92.069 -2.40693 10.5333 GPRESSAVG: 270800 -2.67391 -1.30982 91.117 -4.15314 20.7265 -2.31634 92.4173 -2.77699 11.5934 TIMING: 270800 CPU: 854.961, 0.00315185/step Wall: 854.961, 0.00315185/step, 4.14047 hours remaining, 232.058594 MB of memory in use. ENERGY: 270800 3979.8830 20557.9295 14473.6533 250.3676 -203201.9459 2547.9483 0.0000 0.0000 52149.1027 -109243.0614 299.7016 -161392.1642 -108878.4819 299.4180 16.0470 38.7846 761991.8035 9.7368 9.8820 PRESSURE: 271000 -19.3002 141.033 5.34074 141.033 -315.343 -66.6044 5.34044 -66.6053 471.387 GPRESSURE: 271000 31.2287 86.6658 3.08025 104.991 -249.798 -116.586 63.5305 -39.0774 449.944 PRESSAVG: 271000 1.34394 12.7158 54.0771 12.7159 -29.6832 16.6743 54.0771 16.6744 11.2953 GPRESSAVG: 271000 0.244298 13.142 53.7622 10.4649 -28.1609 16.7737 55.1603 19.3166 10.8001 TIMING: 271000 CPU: 855.593, 0.00316063/step Wall: 855.593, 0.00316063/step, 4.15184 hours remaining, 232.046875 MB of memory in use. ENERGY: 271000 3994.2209 20593.6231 14505.4664 275.6797 -203319.9739 2559.0244 0.0000 0.0000 52101.8069 -109290.1525 299.4298 -161391.9594 -108932.2693 299.3836 45.5811 77.1247 761792.3532 -5.6813 -5.7055 PRESSURE: 271200 397.479 -76.6838 155.033 -76.6839 -58.8648 39.526 155.034 39.5265 371.856 GPRESSURE: 271200 462.308 -101.009 77.8795 51.9189 -53.4002 -25.6786 53.023 -49.8666 401.43 PRESSAVG: 271200 57.1321 -25.8238 12.6895 -25.8238 -62.437 -53.5562 12.6895 -53.5561 4.53169 GPRESSAVG: 271200 56.8022 -25.6418 11.3868 -23.9199 -62.6802 -54.064 11.9411 -53.9819 5.35543 TIMING: 271200 CPU: 856.222, 0.00314431/step Wall: 856.222, 0.00314431/step, 4.13022 hours remaining, 232.058594 MB of memory in use. ENERGY: 271200 3990.9774 20535.9035 14499.9284 239.5104 -203642.3162 3009.2699 0.0000 0.0000 52144.4264 -109222.3002 299.6747 -161366.7266 -108864.3458 299.4370 236.8235 270.1127 760771.8233 -0.2578 -0.1742 PRESSURE: 271400 276.39 -25.7554 -63.8209 -25.7551 -62.9464 -340.561 -63.8211 -340.561 -75.3808 GPRESSURE: 271400 265.318 45.8058 44.9231 -108.872 -13.2062 -285.373 79.9682 -251.365 -37.5633 PRESSAVG: 271400 43.948 7.46565 49.4858 7.46571 -63.0608 -29.4635 49.4858 -29.4635 11.6747 GPRESSAVG: 271400 44.8348 6.15055 51.4849 9.53494 -63.4395 -28.6116 50.6402 -31.0448 11.1154 TIMING: 271400 CPU: 856.849, 0.0031344/step Wall: 856.849, 0.0031344/step, 4.11704 hours remaining, 232.058594 MB of memory in use. ENERGY: 271400 3954.8006 20453.0234 14501.1304 242.4574 -203653.9313 3039.5662 0.0000 0.0000 52012.1270 -109450.8263 298.9144 -161462.9533 -109087.7711 299.3564 46.0210 71.5161 761759.1616 -2.4794 -2.4964 PRESSURE: 271600 -359.466 -162.427 122.584 -162.427 276.291 57.6076 122.584 57.6083 -273.674 GPRESSURE: 271600 -212.01 -189.372 139.339 -26.4244 226.795 92.859 -48.9225 19.1706 -293.337 PRESSAVG: 271600 39.6038 -12.0622 55.0964 -12.0623 -57.575 -3.47666 55.0964 -3.47663 3.34873 GPRESSAVG: 271600 40.4616 -13.4663 55.8048 -13.6521 -57.5088 -4.31379 53.8095 -2.24629 2.65246 TIMING: 271600 CPU: 857.473, 0.00312113/step Wall: 857.473, 0.00312113/step, 4.09943 hours remaining, 232.058594 MB of memory in use. ENERGY: 271600 3947.7936 20426.1416 14490.1025 238.0683 -203484.2043 2826.8915 0.0000 0.0000 52128.7198 -109426.4870 299.5845 -161555.2069 -109059.7178 299.0094 -118.9498 -92.8507 763189.4192 -4.8742 -4.7982 PRESSURE: 271800 -121.823 -56.9233 190.41 -56.9231 -243.057 85.3756 190.41 85.3746 -559.819 GPRESSURE: 271800 -85.3154 -80.1752 66.7868 17.1304 -218.011 148.906 109.514 81.1918 -539.905 PRESSAVG: 271800 53.3664 -46.1973 -3.58559 -46.1973 -78.7238 8.57053 -3.5856 8.57053 7.48817 GPRESSAVG: 271800 52.2242 -44.4808 -4.78563 -45.1201 -78.0566 9.49539 -3.94958 7.02722 8.46282 TIMING: 271800 CPU: 858.098, 0.00312158/step Wall: 858.098, 0.00312158/step, 4.09985 hours remaining, 232.261719 MB of memory in use. ENERGY: 271800 4061.4050 20338.4311 14503.9114 243.1331 -203246.3346 2635.5929 0.0000 0.0000 51967.1532 -109496.7079 298.6559 -161463.8611 -109129.6014 298.5066 -308.2331 -281.0769 761904.0115 -5.9564 -5.7899 PRESSURE: 272000 3.0555 -172.381 -40.2566 -172.38 -256.198 -78.1166 -40.2559 -78.1175 14.5123 GPRESSURE: 272000 43.6227 -86.432 89.792 -165.777 -151.229 -75.4783 -215.024 -102.364 -12.0804 PRESSAVG: 272000 30.4533 -35.8647 61.9043 -35.8646 18.8604 -9.79412 61.9043 -9.79412 4.79291 GPRESSAVG: 272000 30.2939 -35.2531 63.5991 -37.1203 17.9958 -11.1095 61.6266 -9.15039 5.88366 TIMING: 272000 CPU: 858.722, 0.00311972/step Wall: 858.722, 0.00311972/step, 4.09723 hours remaining, 232.261719 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: 272000 4025.4422 20612.3008 14425.4779 243.7292 -203243.9422 2625.9248 0.0000 0.0000 52051.8104 -109259.2569 299.1425 -161311.0673 -108898.0411 299.0095 -79.5434 -39.8956 761510.6145 18.0355 18.0578 PRESSURE: 272200 153.85 94.8348 -184.652 94.8342 -212.804 -233.398 -184.652 -233.398 252.96 GPRESSURE: 272200 156.606 32.2848 -122.814 119.373 -53.4245 -241.288 10.8384 -236.134 179.06 PRESSAVG: 272200 2.04724 -32.0503 -14.7264 -32.0502 -9.90215 -15.3014 -14.7265 -15.3014 -19.7014 GPRESSAVG: 272200 1.68245 -34.0169 -12.8492 -29.5714 -8.50394 -15.992 -15.1948 -14.7724 -20.7916 TIMING: 272200 CPU: 859.351, 0.00314772/step Wall: 859.351, 0.00314772/step, 4.13383 hours remaining, 232.261719 MB of memory in use. ENERGY: 272200 3943.5437 20496.0548 14425.8543 260.0497 -203856.6971 3008.3612 0.0000 0.0000 52510.5038 -109212.3294 301.7786 -161722.8332 -108845.9234 299.8641 64.6688 94.0804 758616.6588 -9.1854 -9.2044 LDB: ============= START OF LOAD BALANCING ============== 871.883 LDB: ============== END OF LOAD BALANCING =============== 871.883 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 871.885 LDB: ============= START OF LOAD BALANCING ============== 872.2 LDB: Largest compute 7042 load 0.030419 is 15.6% of average load 0.195040 LDB: Average compute 0.004381 is 2.2% of average load 0.195040 LDB: TIME 872.203 LOAD: AVG 0.19504 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.828 MB LDB: TIME 872.204 LOAD: AVG 0.19504 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: TIME 872.204 LOAD: AVG 0.19504 MAX 0.216687 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.031 MB LDB: ============== END OF LOAD BALANCING =============== 872.206 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 872.211 PRESSURE: 272400 33.0779 -21.334 -100.951 -21.3336 -208.761 136.343 -100.95 136.342 -232.62 GPRESSURE: 272400 -4.44235 -185.996 -114.771 46.728 -271.165 90.608 -58.0107 196.996 -63.3178 PRESSAVG: 272400 34.8867 18.6524 27.3037 18.6524 -6.88716 25.5828 27.3038 25.5828 11.5465 GPRESSAVG: 272400 34.2567 20.7682 23.6256 15.5664 -6.57747 27.2836 27.7099 21.4415 11.4315 TIMING: 272400 CPU: 859.994, 0.00321458/step Wall: 859.994, 0.00321458/step, 4.22146 hours remaining, 233.214844 MB of memory in use. ENERGY: 272400 3996.9880 20641.5165 14530.3855 235.0343 -203512.9189 2833.4790 0.0000 0.0000 52060.4784 -109215.0373 299.1923 -161275.5156 -108848.0427 300.0199 -136.1012 -112.9752 762440.7109 13.1820 13.0369 PRESSURE: 272600 -152.558 -116.562 216.896 -116.562 -130.535 -29.6624 216.896 -29.663 -17.9679 GPRESSURE: 272600 -121.472 -42.7942 183.809 -157 -117.619 -10.1739 3.31736 43.8177 19.5062 PRESSAVG: 272600 -8.57305 14.1516 -9.18973 14.1516 29.1472 -14.4536 -9.18978 -14.4535 2.0628 GPRESSAVG: 272600 -7.77599 12.3899 -8.69631 15.211 28.3683 -13.7298 -7.2221 -12.5323 1.81979 TIMING: 272600 CPU: 860.622, 0.00313887/step Wall: 860.622, 0.00313887/step, 4.12186 hours remaining, 233.429688 MB of memory in use. ENERGY: 272600 3937.9145 20760.7405 14553.2556 240.7995 -203314.7558 2784.6112 0.0000 0.0000 51896.4545 -109140.9800 298.2496 -161037.4345 -108783.3331 299.7115 -100.3537 -73.1949 762160.0626 7.5456 7.4707 PRESSURE: 272800 177.074 -33.8119 -136.157 -33.8114 -78.6237 152.442 -136.156 152.443 -66.5839 GPRESSURE: 272800 122.92 69.2682 -191.829 -39.8691 14.2196 101.213 28.9278 135.091 -5.82251 PRESSAVG: 272800 -26.5904 -19.3701 84.0992 -19.3701 68.8373 35.7441 84.0991 35.7442 -1.48041 GPRESSAVG: 272800 -28.2616 -16.8432 82.8694 -19.0354 70.0942 35.9865 83.6438 35.5201 -1.17953 TIMING: 272800 CPU: 861.251, 0.00314606/step Wall: 861.251, 0.00314606/step, 4.13113 hours remaining, 233.429688 MB of memory in use. ENERGY: 272800 3952.8633 20598.5916 14513.3456 240.7966 -203084.2153 2512.3083 0.0000 0.0000 52071.4826 -109194.8272 299.2555 -161266.3098 -108832.2066 299.7214 10.6222 43.7722 762439.3768 13.5888 13.5510 PRESSURE: 273000 -105.168 -210.238 -8.79324 -210.238 -165.153 8.4271 -8.79318 8.42786 -219.796 GPRESSURE: 273000 -50.9061 -88.8683 -94.1049 -182.973 -62.4489 24.4292 -1.81655 -26.6461 -291.026 PRESSAVG: 273000 2.6354 -30.094 28.2863 -30.094 28.7106 -23.8867 28.2864 -23.8866 16.6239 GPRESSAVG: 273000 4.1035 -31.2893 29.9225 -31.136 28.3081 -24.1021 26.442 -23.7854 16.0313 TIMING: 273000 CPU: 861.88, 0.00314542/step Wall: 861.88, 0.00314542/step, 4.13011 hours remaining, 233.429688 MB of memory in use. ENERGY: 273000 4015.0675 20753.8927 14548.6421 255.8389 -202901.1630 2474.0436 0.0000 0.0000 51810.5056 -109043.1727 297.7557 -160853.6783 -108687.8668 300.0552 -163.3723 -134.7936 763023.9481 15.9900 16.1476 PRESSURE: 273200 -130.489 164.247 70.7465 164.247 243.379 -61.771 70.7471 -61.7714 -73.8136 GPRESSURE: 273200 -143.113 182.581 53.1218 208.15 263.602 -92.7251 -17.901 -141.571 -10.5756 PRESSAVG: 273200 55.2456 -60.3145 19.0846 -60.3146 -34.9853 45.8007 19.0845 45.8007 2.08858 GPRESSAVG: 273200 54.5293 -59.4992 18.8839 -60.1315 -34.9331 45.4121 20.4875 42.9815 2.53869 TIMING: 273200 CPU: 862.509, 0.0031456/step Wall: 862.509, 0.0031456/step, 4.13018 hours remaining, 233.429688 MB of memory in use. ENERGY: 273200 3985.5904 20554.3747 14566.2385 233.8404 -203336.8845 2653.4960 0.0000 0.0000 52192.8475 -109150.4969 299.9530 -161343.3444 -108786.9550 299.5994 13.0252 36.6379 760646.5404 7.4496 7.3783 PRESSURE: 273400 126.174 105.183 -197.813 105.184 -182.666 137.506 -197.812 137.507 -157.393 GPRESSURE: 273400 181.712 102.248 -202.079 118.109 -191.883 223.175 -209.951 104.761 -128.027 PRESSAVG: 273400 16.4771 -23.2229 -33.3942 -23.2229 35.6737 2.30433 -33.3941 2.30432 -8.34756 GPRESSAVG: 273400 18.7211 -24.321 -34.2855 -23.2535 34.0414 2.94234 -33.7836 4.74373 -8.43644 TIMING: 273400 CPU: 863.145, 0.00317814/step Wall: 863.145, 0.00317814/step, 4.17272 hours remaining, 233.429688 MB of memory in use. ENERGY: 273400 3914.6562 20679.3046 14395.7911 239.2997 -203111.7741 2567.4548 0.0000 0.0000 52070.6017 -109244.6660 299.2505 -161315.2677 -108882.1192 299.4762 -71.2952 -46.0660 761031.4955 14.6011 14.7753 PRESSURE: 273600 -467.992 -16.0179 26.7202 -16.0176 -222.391 -221.627 26.7189 -221.626 -328.368 GPRESSURE: 273600 -369.834 -14.2577 -17.5946 -70.2458 -189.329 -185.046 52.8395 -198.29 -389.898 PRESSAVG: 273600 -40.6423 -46.4954 -10.9647 -46.4954 30.5059 87.832 -10.9648 87.8319 2.2428 GPRESSAVG: 273600 -41.7927 -46.1034 -9.3966 -46.2439 32.049 87.8795 -12.6559 88.6129 1.97205 TIMING: 273600 CPU: 863.78, 0.00317587/step Wall: 863.78, 0.00317587/step, 4.16957 hours remaining, 233.429688 MB of memory in use. ENERGY: 273600 3959.5087 20335.6764 14473.8344 264.7612 -202883.8643 2200.1261 0.0000 0.0000 52206.4970 -109443.4604 300.0315 -161649.9574 -109077.5614 299.2858 -339.5838 -316.3536 761809.5417 -2.6312 -2.5906 PRESSURE: 273800 57.9188 -121.582 15.3621 -121.581 -18.9278 -38.0025 15.362 -38.0029 -177.792 GPRESSURE: 273800 21.2185 -99.18 101.706 -153.167 30.1633 -77.9294 93.6366 -29.0426 -109.542 PRESSAVG: 273800 42.3692 -13.3193 20.5095 -13.3193 -74.6302 41.8804 20.5096 41.8804 18.3511 GPRESSAVG: 273800 43.0943 -14.1656 20.7303 -12.6844 -76.2637 42.0002 23.1352 40.8856 19.5788 TIMING: 273800 CPU: 864.411, 0.00315563/step Wall: 864.411, 0.00315563/step, 4.14282 hours remaining, 233.417969 MB of memory in use. ENERGY: 273800 3953.5971 20618.0662 14456.7480 235.7798 -203296.8895 2737.3552 0.0000 0.0000 51812.4200 -109482.9233 297.7667 -161295.3433 -109131.6165 298.4894 -46.2669 -19.3866 762801.9620 -4.6366 -4.5302 PRESSURE: 274000 329.817 -221.273 -90.9222 -221.273 207.488 -28.9287 -90.923 -28.9284 386.177 GPRESSURE: 274000 349.549 -139.26 -9.66618 -110.238 191.052 -7.58075 -57.282 -300.776 455.764 PRESSAVG: 274000 45.4358 -87.126 13.0939 -87.126 -10.2207 -37.519 13.0938 -37.5189 4.62906 GPRESSAVG: 274000 44.6444 -88.5343 13.5022 -86.0871 -9.73408 -38.8861 11.388 -39.1333 5.21453 TIMING: 274000 CPU: 865.04, 0.00314158/step Wall: 865.04, 0.00314158/step, 4.1242 hours remaining, 233.429688 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: 274000 4005.9575 20474.1982 14415.6138 257.8710 -203683.7633 3020.7264 0.0000 0.0000 51928.1349 -109581.2616 298.4317 -161509.3965 -109216.3151 298.9791 307.8272 332.1218 760942.7700 13.2814 13.3750 PRESSURE: 274200 -202.006 -48.444 117.222 -48.4444 25.8392 36.0961 117.223 36.0967 471.939 GPRESSURE: 274200 -170.16 -55.6955 146.745 -14.8805 110.148 95.6479 41.507 6.25974 424.873 PRESSAVG: 274200 0.5367 -27.3185 49.6564 -27.3184 -54.1789 -4.70119 49.6563 -4.70123 -22.6974 GPRESSAVG: 274200 1.46202 -26.3651 50.7611 -28.5625 -53.2549 -5.06928 48.2008 -4.13715 -23.8737 TIMING: 274200 CPU: 865.673, 0.0031672/step Wall: 865.673, 0.0031672/step, 4.15766 hours remaining, 233.429688 MB of memory in use. ENERGY: 274200 3943.4354 20531.1244 14508.4968 258.5268 -203369.0254 2771.2304 0.0000 0.0000 51824.3089 -109531.9028 297.8350 -161356.2116 -109167.8911 299.1053 98.5909 121.6203 762442.6246 -25.4465 -25.2222 PRESSURE: 274400 306.633 102.903 -43.7186 102.902 33.6315 -90.6161 -43.7188 -90.6158 -49.0407 GPRESSURE: 274400 225.349 87.4025 49.2523 35.7091 108.444 -81.165 93.8895 -40.1621 37.2737 PRESSAVG: 274400 -41.2378 -19.6855 -34.4282 -19.6855 -2.26979 15.8219 -34.4282 15.8218 14.6971 GPRESSAVG: 274400 -41.5234 -18.6214 -34.6836 -21.9991 -2.8743 14.9907 -31.5636 18.158 15.1311 TIMING: 274400 CPU: 866.306, 0.00316391/step Wall: 866.306, 0.00316391/step, 4.15316 hours remaining, 233.429688 MB of memory in use. ENERGY: 274400 3959.6037 20622.6332 14485.2237 241.3573 -203514.5745 2773.9234 0.0000 0.0000 51869.5778 -109562.2554 298.0952 -161431.8332 -109199.5089 299.4335 97.0745 123.6890 763324.7797 -9.6035 -9.7555 PRESSURE: 274600 -59.9505 -81.3636 -57.5019 -81.3639 -183.514 240.025 -57.5019 240.025 -86.9811 GPRESSURE: 274600 11.2742 -32.1932 -25.5199 -258.112 -137.336 101.459 -21.5449 188.387 -101.011 PRESSAVG: 274600 57.8617 34.2636 -11.6792 34.2636 -20.2872 18.205 -11.6793 18.2051 4.16991 GPRESSAVG: 274600 58.2044 32.5266 -12.911 36.1529 -19.713 18.3586 -13.8325 16.3561 3.35762 TIMING: 274600 CPU: 866.936, 0.00314988/step Wall: 866.936, 0.00314988/step, 4.13457 hours remaining, 233.429688 MB of memory in use. ENERGY: 274600 4038.2366 20551.0991 14511.6709 243.1949 -203705.0290 2807.4931 0.0000 0.0000 52135.2699 -109418.0646 299.6221 -161553.3344 -109053.2993 298.6569 -110.1485 -75.6908 762811.8697 13.9148 13.9497 PRESSURE: 274800 -207.416 64.1613 272.886 64.1608 -6.01535 -166.248 272.887 -166.248 -218.099 GPRESSURE: 274800 -53.6311 61.953 260.163 113.414 -42.9135 -149.066 142.728 -190.332 -245.851 PRESSAVG: 274800 62.6205 6.60341 25.8695 6.6034 -52.7447 8.31476 25.8695 8.31476 -13.7742 GPRESSAVG: 274800 60.8866 9.27019 26.3642 5.68715 -52.322 8.09578 26.0428 11.113 -12.8201 TIMING: 274800 CPU: 867.565, 0.0031471/step Wall: 867.565, 0.0031471/step, 4.13075 hours remaining, 233.429688 MB of memory in use. ENERGY: 274800 3922.4155 20595.0379 14471.3178 241.0283 -203204.8877 2460.7866 0.0000 0.0000 51979.8663 -109534.4353 298.7290 -161514.3016 -109178.1612 298.7019 -143.8434 -114.1318 764234.0956 -1.2995 -1.4185 PRESSURE: 275000 183.805 20.4491 -131.687 20.4484 -189.161 -45.8787 -131.687 -45.8781 -40.495 GPRESSURE: 275000 193.184 83.3135 -68.4574 -60.5479 -159.762 -126.684 -122.691 -76.6954 20.2566 PRESSAVG: 275000 19.278 -61.6594 83.5459 -61.6594 -6.52167 -13.2296 83.5459 -13.2296 4.19252 GPRESSAVG: 275000 21.4591 -63.92 82.8805 -62.1485 -7.91445 -14.6176 85.2561 -15.039 3.69283 TIMING: 275000 CPU: 868.196, 0.00315309/step Wall: 868.196, 0.00315309/step, 4.13843 hours remaining, 233.429688 MB of memory in use. ENERGY: 275000 3948.5881 20640.6017 14454.1346 248.1516 -203381.9989 2770.2228 0.0000 0.0000 51869.0949 -109451.2052 298.0924 -161320.3001 -109094.3968 298.9745 -15.2835 17.8928 761965.5931 5.6496 5.7458 PRESSURE: 275200 61.1482 -119.951 -147.012 -119.951 34.0428 45.8155 -147.012 45.8157 -150.8 GPRESSURE: 275200 105.862 -29.7654 -131.174 -67.1411 24.2916 24.5631 -134.931 86.4681 -89.3797 PRESSAVG: 275200 -14.3695 -14.6783 48.5183 -14.6783 -21.2765 -43.9355 48.5183 -43.9354 3.69738 GPRESSAVG: 275200 -15.0773 -12.7166 48.68 -14.2708 -20.885 -41.7935 48.8981 -43.2872 3.96999 TIMING: 275200 CPU: 868.827, 0.003156/step Wall: 868.827, 0.003156/step, 4.14208 hours remaining, 233.429688 MB of memory in use. ENERGY: 275200 3942.8767 20635.4227 14508.5404 247.6705 -203568.4115 2909.3500 0.0000 0.0000 51879.2555 -109445.2957 298.1508 -161324.5512 -109083.8087 298.9120 -18.5363 13.5913 761984.9979 -10.6495 -10.6641 PRESSURE: 275400 67.6284 138.855 -183.809 138.855 -126.235 -6.30351 -183.808 -6.30362 148.163 GPRESSURE: 275400 123.764 45.0845 -143.741 187.57 -135.919 -19.7749 -91.2447 12.3811 160.498 PRESSAVG: 275400 -35.3484 -10.0227 -5.61675 -10.0226 35.1158 -33.8911 -5.61681 -33.8911 14.7367 GPRESSAVG: 275400 -35.6067 -13.8175 -5.42009 -8.08358 34.2665 -33.8539 -5.73194 -32.0291 15.4744 TIMING: 275400 CPU: 869.457, 0.00315133/step Wall: 869.457, 0.00315133/step, 4.13577 hours remaining, 233.429688 MB of memory in use. ENERGY: 275400 4056.7628 20582.3517 14452.6134 269.5521 -203599.5720 2787.5507 0.0000 0.0000 52090.4033 -109360.3380 299.3643 -161450.7412 -109003.8125 299.4841 29.8521 49.4479 762120.4254 4.8347 4.7114 PRESSURE: 275600 -124.352 -27.899 -96.8764 -27.8984 -9.97677 -29.6941 -96.8765 -29.6949 68.3472 GPRESSURE: 275600 -58.7909 -75.1467 -97.1051 104.882 -38.6585 -45.2294 -71.271 80.991 115.494 PRESSAVG: 275600 48.1335 0.201207 32.7532 0.201184 2.03497 -1.55753 32.7532 -1.55744 -8.91421 GPRESSAVG: 275600 47.5155 1.44949 33.1224 0.21609 2.84965 -1.30117 32.1309 -4.1908 -8.99469 TIMING: 275600 CPU: 870.092, 0.00317258/step Wall: 870.092, 0.00317258/step, 4.16348 hours remaining, 233.429688 MB of memory in use. ENERGY: 275600 4036.0650 20597.4804 14454.5088 260.3591 -203518.1376 2846.0218 0.0000 0.0000 51932.7748 -109390.9276 298.4584 -161323.7025 -109029.8906 299.5512 -21.9938 6.0147 762586.7001 13.7514 13.7902 PRESSURE: 275800 112.153 -52.2903 -428.374 -52.2904 -321.082 -21.0009 -428.372 -21.0013 475.515 GPRESSURE: 275800 76.087 -38.1811 -423.626 -22.5502 -211.427 37.9373 -357.346 -108.726 489.362 PRESSAVG: 275800 -17.6369 8.53865 22.0637 8.5387 26.3742 47.6493 22.0637 47.6493 9.93463 GPRESSAVG: 275800 -17.1497 8.33948 21.834 8.81012 26.4022 47.3906 23.2511 46.6639 9.55255 TIMING: 275800 CPU: 870.722, 0.0031513/step Wall: 870.722, 0.0031513/step, 4.13538 hours remaining, 233.429688 MB of memory in use. ENERGY: 275800 4008.9792 20653.3705 14428.7747 229.7430 -203861.2703 2829.0788 0.0000 0.0000 52140.3481 -109570.9759 299.6513 -161711.3239 -109215.8835 299.3355 88.8620 118.0075 760378.3506 6.2240 6.2684 PRESSURE: 276000 -206.846 -133.246 62.9013 -133.246 -265.157 20.8672 62.9011 20.8662 -152.149 GPRESSURE: 276000 -136.369 -177.288 54.7805 -135.201 -249.771 45.4049 5.45545 -47.8974 -176.678 PRESSAVG: 276000 -17.5791 -0.751308 15.696 -0.751315 -37.1482 18.7512 15.6961 18.7512 -0.387991 GPRESSAVG: 276000 -17.0982 -0.358387 16.8106 -1.62418 -37.3084 19.1342 13.7524 18.4098 -0.725767 TIMING: 276000 CPU: 871.353, 0.00315628/step Wall: 871.353, 0.00315628/step, 4.14173 hours remaining, 233.429688 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: 276000 4025.1683 20485.3508 14563.2763 234.5408 -203462.4862 2608.0826 0.0000 0.0000 51987.2792 -109558.7883 298.7716 -161546.0675 -109204.0525 298.7237 -208.0504 -187.6060 762488.5964 -18.3718 -18.3774 PRESSURE: 276200 -102.335 -25.4113 -7.12957 -25.4115 20.3461 35.1046 -7.13002 35.1046 194.386 GPRESSURE: 276200 -21.1992 -3.61774 -24.582 -95.9181 31.253 -3.18726 6.66646 41.4069 198.234 PRESSAVG: 276200 17.7483 4.46201 19.3141 4.46201 -14.6062 -8.8001 19.314 -8.8001 -14.3092 GPRESSAVG: 276200 16.7356 3.4043 18.3153 5.99841 -14.6717 -10.2537 20.6106 -5.50368 -12.903 TIMING: 276200 CPU: 871.981, 0.00314046/step Wall: 871.981, 0.00314046/step, 4.1208 hours remaining, 233.429688 MB of memory in use. ENERGY: 276200 3993.5572 20408.2625 14543.0798 256.4480 -203504.5110 2678.7816 0.0000 0.0000 51917.9589 -109706.4230 298.3732 -161624.3819 -109350.5915 298.9052 37.4655 69.4292 760489.4017 -3.7224 -3.6130 LDB: ============= START OF LOAD BALANCING ============== 884.513 LDB: ============== END OF LOAD BALANCING =============== 884.513 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 884.515 LDB: ============= START OF LOAD BALANCING ============== 884.833 LDB: Largest compute 7060 load 0.032478 is 16.7% of average load 0.194995 LDB: Average compute 0.004384 is 2.2% of average load 0.194995 LDB: TIME 884.837 LOAD: AVG 0.194995 MAX 0.21539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.992 MB LDB: TIME 884.837 LOAD: AVG 0.194995 MAX 0.21539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.031 MB LDB: TIME 884.837 LOAD: AVG 0.194995 MAX 0.21539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.031 MB LDB: ============== END OF LOAD BALANCING =============== 884.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 884.844 PRESSURE: 276400 -187.819 114.225 12.5243 114.225 -226.165 -124.084 12.5245 -124.083 43.9366 GPRESSURE: 276400 -178.363 107.626 -21.3102 93.508 -206.956 -55.0411 -95.9585 -85.1568 90.3843 PRESSAVG: 276400 39.7872 51.7903 30.174 51.7904 -29.4763 18.1233 30.174 18.1232 5.80681 GPRESSAVG: 276400 41.0641 53.3425 30.1879 48.9206 -28.6358 21.087 30.547 14.9591 4.05027 TIMING: 276400 CPU: 872.628, 0.0032324/step Wall: 872.628, 0.0032324/step, 4.24127 hours remaining, 231.546875 MB of memory in use. ENERGY: 276400 4032.2012 20524.9164 14426.3289 234.6400 -203604.9698 2838.1698 0.0000 0.0000 51762.9868 -109785.7267 297.4826 -161548.7135 -109430.6247 298.1121 -123.3491 -98.3113 762008.7866 5.3726 5.4929 PRESSURE: 276600 -553.893 32.8594 50.025 32.8596 -62.8103 -103.256 50.0245 -103.255 -318.976 GPRESSURE: 276600 -500.965 74.0089 98.3344 -142.686 -26.3293 -50.7322 16.7544 -154.383 -313.171 PRESSAVG: 276600 44.55 3.48938 19.0088 3.48935 -47.3286 14.4642 19.0088 14.4642 -22.1043 GPRESSAVG: 276600 44.9802 2.03573 19.5533 4.35389 -48.0359 13.8689 18.1082 12.6112 -21.5725 TIMING: 276600 CPU: 873.26, 0.0031605/step Wall: 873.26, 0.0031605/step, 4.14675 hours remaining, 231.750000 MB of memory in use. ENERGY: 276600 4006.0408 20421.6196 14422.2480 251.3266 -203443.2367 2742.5035 0.0000 0.0000 51998.1506 -109601.3477 298.8341 -161599.4982 -109228.3708 298.0327 -311.8932 -280.1552 762159.0494 -8.2943 -8.2094 PRESSURE: 276800 -343.907 175.943 -19.0925 175.944 -401.272 -126.141 -19.0926 -126.143 122.415 GPRESSURE: 276800 -363.175 173.762 -27.7888 92.8002 -252.704 -166.025 -63.9521 -142.656 76.6988 PRESSAVG: 276800 -0.856282 21.8223 2.21877 21.8223 -4.64374 -30.4385 2.21879 -30.4386 -29.8481 GPRESSAVG: 276800 -2.30904 23.7301 2.83118 23.6401 -3.96654 -31.3851 3.07169 -28.4115 -29.0455 TIMING: 276800 CPU: 873.894, 0.00316826/step Wall: 873.894, 0.00316826/step, 4.15676 hours remaining, 231.738281 MB of memory in use. ENERGY: 276800 3976.4439 20624.3636 14464.8668 256.9219 -203043.0110 2343.2919 0.0000 0.0000 51784.9689 -109592.1540 297.6089 -161377.1229 -109229.7794 298.5484 -207.5881 -179.7267 762206.2649 -11.7827 -11.7737 PRESSURE: 277000 -0.835212 -12.3486 174.948 -12.3481 -32.7047 3.16361 174.948 3.16424 120.524 GPRESSURE: 277000 30.6592 80.4483 272.085 -56.2537 37.8418 27.7175 281.008 -37.322 99.2759 PRESSAVG: 277000 63.4808 -13.6681 58.7553 -13.6681 -43.9671 -51.6097 58.7553 -51.6098 -4.56735 GPRESSAVG: 277000 64.3727 -14.1299 57.7023 -15.2608 -44.6897 -51.8949 60.206 -50.8585 -4.47725 TIMING: 277000 CPU: 874.527, 0.00316925/step Wall: 874.527, 0.00316925/step, 4.15787 hours remaining, 231.738281 MB of memory in use. ENERGY: 277000 3986.2756 20401.1142 14461.8980 255.6112 -203404.0035 2600.0493 0.0000 0.0000 51843.6161 -109855.4391 297.9460 -161699.0552 -109486.3605 298.3475 28.9948 55.9257 761318.1982 4.9821 5.0686 PRESSURE: 277200 -89.6761 -8.21516 116.957 -8.2142 -349.438 223.851 116.956 223.851 64.4815 GPRESSURE: 277200 -94.5871 -108.391 161.899 10.0612 -297.129 254.033 85.3281 315.769 96.2052 PRESSAVG: 277200 19.0753 -13.9326 37.4379 -13.9326 -10.6155 -23.0785 37.438 -23.0786 -10.4762 GPRESSAVG: 277200 18.3825 -14.5322 36.725 -11.1499 -9.27558 -24.2689 37.5471 -23.3121 -11.1637 TIMING: 277200 CPU: 875.164, 0.00318321/step Wall: 875.164, 0.00318321/step, 4.17602 hours remaining, 231.750000 MB of memory in use. ENERGY: 277200 4014.2910 20617.0458 14428.3010 249.6604 -203238.4575 2559.1702 0.0000 0.0000 51670.3104 -109699.6787 296.9500 -161369.9890 -109341.8793 297.8527 -124.8777 -98.5038 763594.7300 -0.6721 -0.6856 PRESSURE: 277400 -85.8802 -10.5406 -42.1213 -10.5406 -107.62 -82.8159 -42.1212 -82.8161 -90.2796 GPRESSURE: 277400 -131.137 -56.1675 -96.3618 -39.8539 57.0096 -113.233 -29.1232 -51.2268 -117.477 PRESSAVG: 277400 22.7949 35.2681 55.6161 35.2681 -17.6965 2.42713 55.6161 2.42708 5.94576 GPRESSAVG: 277400 23.6013 37.8352 57.7556 33.596 -17.6327 2.78005 56.1023 3.76079 5.98247 TIMING: 277400 CPU: 875.794, 0.00315023/step Wall: 875.794, 0.00315023/step, 4.13257 hours remaining, 231.750000 MB of memory in use. ENERGY: 277400 3950.6623 20387.4188 14441.9568 259.5025 -203459.2017 2748.4266 0.0000 0.0000 51759.0861 -109912.1487 297.4602 -161671.2347 -109545.1283 297.9918 -94.5934 -63.8680 763643.6595 3.6814 3.9837 PRESSURE: 277600 -378.416 86.8095 34.6939 86.8094 139.206 -122.187 34.6939 -122.187 23.8938 GPRESSURE: 277600 -281.048 104.468 101.977 116.951 151.244 -97.7521 -25.2404 -41.6769 19.862 PRESSAVG: 277600 -12.549 -36.6282 3.61231 -36.6281 53.8638 2.4237 3.61229 2.42371 8.07662 GPRESSAVG: 277600 -12.6206 -37.6325 2.47656 -35.3202 53.7506 3.67124 2.85668 1.68011 7.82789 TIMING: 277600 CPU: 876.432, 0.0031883/step Wall: 876.432, 0.0031883/step, 4.18234 hours remaining, 231.750000 MB of memory in use. ENERGY: 277600 3980.7826 20309.8920 14431.6396 242.3022 -203447.7257 2719.5692 0.0000 0.0000 52032.8182 -109730.7219 299.0333 -161763.5402 -109368.2299 297.5947 -71.7719 -36.6472 761008.0506 16.4638 16.3193 PRESSURE: 277800 -218.845 131.878 -91.8111 131.878 -203.6 -15.988 -91.8109 -15.9871 -425.295 GPRESSURE: 277800 -176.44 144.053 -26.3831 27.7105 -205.432 51.501 -94.8706 0.205835 -391.597 PRESSAVG: 277800 -2.66456 -16.7626 -45.2602 -16.7626 21.3996 4.45876 -45.2602 4.45874 -20.8638 GPRESSAVG: 277800 -1.74071 -15.098 -44.0376 -19.0857 19.4965 3.44057 -49.0019 5.10229 -20.2457 TIMING: 277800 CPU: 877.062, 0.00315141/step Wall: 877.062, 0.00315141/step, 4.13377 hours remaining, 231.750000 MB of memory in use. ENERGY: 277800 3968.9243 20437.9119 14576.9560 246.3871 -203329.0944 2575.8635 0.0000 0.0000 51792.0365 -109731.0151 297.6495 -161523.0516 -109377.3079 298.2988 -282.5802 -257.8229 762319.5049 -0.7096 -0.8300 PRESSURE: 278000 -32.0476 64.2759 167.883 64.2754 134.95 -128.853 167.883 -128.854 -433.92 GPRESSURE: 278000 -9.47865 116.357 93.9485 86.397 94.6843 -104.782 203.402 -218.934 -331.981 PRESSAVG: 278000 4.24234 42.37 17.6603 42.3699 34.6467 -44.7518 17.6603 -44.7517 -12.132 GPRESSAVG: 278000 2.7642 41.0273 16.4607 41.3694 35.2503 -44.768 21.2304 -48.15 -11.5066 TIMING: 278000 CPU: 877.69, 0.00314084/step Wall: 877.69, 0.00314084/step, 4.11974 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: 278000 3947.7284 20458.2781 14589.9728 248.7954 -203593.8896 2814.5656 0.0000 0.0000 51945.2290 -109589.3203 298.5299 -161534.5494 -109235.8240 298.3055 -110.3391 -82.2585 761094.7815 8.9190 8.8360 PRESSURE: 278200 -180.116 -120.419 -23.1366 -120.419 327.071 -141.613 -23.1364 -141.615 72.2936 GPRESSURE: 278200 -106.947 -22.1199 -37.8844 -41.99 298.937 -177.397 94.9246 -127.612 92.9625 PRESSAVG: 278200 11.4687 16.2179 21.2735 16.2178 4.75631 43.1127 21.2734 43.1128 0.792839 GPRESSAVG: 278200 11.6421 14.7732 21.8272 18.9452 5.15051 43.0427 20.5256 45.4161 0.645891 TIMING: 278200 CPU: 878.322, 0.00316064/step Wall: 878.322, 0.00316064/step, 4.14553 hours remaining, 231.750000 MB of memory in use. ENERGY: 278200 3989.8209 20304.8659 14507.6463 268.9437 -203532.9162 2812.0476 0.0000 0.0000 51903.2547 -109746.3372 298.2887 -161649.5919 -109375.2421 298.4688 73.0827 94.9840 763376.4683 5.6726 5.8128 PRESSURE: 278400 -60.7644 218.216 -91.781 218.217 -147.073 11.6851 -91.7816 11.6855 189.884 GPRESSURE: 278400 -4.26704 11.1286 -118.715 105.116 -133.928 -8.34032 1.29311 -86.3591 198.623 PRESSAVG: 278400 -84.9488 11.0103 13.5225 11.0104 56.0841 -6.63877 13.5225 -6.63882 4.24657 GPRESSAVG: 278400 -86.0122 10.7541 11.8364 10.194 56.8985 -5.68688 13.97 -8.49976 4.18616 TIMING: 278400 CPU: 878.955, 0.00316353/step Wall: 878.955, 0.00316353/step, 4.14915 hours remaining, 231.750000 MB of memory in use. ENERGY: 278400 4113.2313 20413.2381 14498.9788 230.4083 -203805.0101 2862.8030 0.0000 0.0000 51714.8317 -109971.5189 297.2058 -161686.3506 -109620.7030 298.0280 -5.9843 20.1426 763089.7481 -8.2060 -8.3092 PRESSURE: 278600 337.608 89.3655 99.7528 89.3657 317.57 -12.5828 99.7542 -12.582 62.9178 GPRESSURE: 278600 287.832 61.7988 52.5399 -13.389 340.429 -13.8929 19.338 29.586 165.338 PRESSAVG: 278600 -40.0447 13.414 7.16074 13.414 27.6752 60.8047 7.16085 60.8046 7.75953 GPRESSAVG: 278600 -39.6259 15.1778 8.71643 15.233 26.9351 60.8215 8.14705 61.9688 8.24558 TIMING: 278600 CPU: 879.586, 0.0031524/step Wall: 879.586, 0.0031524/step, 4.13438 hours remaining, 231.750000 MB of memory in use. ENERGY: 278600 3961.5430 20442.3100 14500.5664 255.3027 -204120.6563 3085.1778 0.0000 0.0000 51670.6806 -110205.0758 296.9521 -161875.7564 -109847.8043 297.7973 239.3653 264.5327 761676.5824 -1.5367 -1.4817 PRESSURE: 278800 -138.205 120.534 -14.3007 120.534 -26.5108 315.364 -14.3004 315.364 67.4809 GPRESSURE: 278800 -93.0975 226.216 34.8561 90.8001 81.7886 291.296 -34.3596 155.517 5.82072 PRESSAVG: 278800 4.65232 69.291 -31.8264 69.291 -8.86932 -4.47281 -31.8264 -4.47278 19.1534 GPRESSAVG: 278800 5.25867 66.8716 -34.1888 69.0443 -9.06754 -5.51954 -33.2217 -1.50533 18.58 TIMING: 278800 CPU: 880.218, 0.0031604/step Wall: 880.218, 0.0031604/step, 4.14469 hours remaining, 231.750000 MB of memory in use. ENERGY: 278800 3963.9334 20159.1078 14441.3105 252.4978 -204130.8754 3006.4938 0.0000 0.0000 52155.4349 -110152.0970 299.7380 -162307.5320 -109784.6429 297.8449 -32.4115 -1.8294 760386.3489 4.9788 4.9237 PRESSURE: 279000 -237.578 87.3044 115.866 87.3044 -642.841 55.9547 115.866 55.9538 -237.729 GPRESSURE: 279000 -263.691 238.114 136.108 79.7211 -536.238 110.141 -82.5556 21.198 -235.828 PRESSAVG: 279000 -5.39907 41.487 10.2169 41.4871 -29.4202 49.5774 10.2169 49.5773 1.4893 GPRESSAVG: 279000 -5.32144 44.7492 12.8531 39.5977 -29.2814 49.1233 9.22389 47.4412 2.13704 TIMING: 279000 CPU: 880.851, 0.00316623/step Wall: 880.851, 0.00316623/step, 4.15215 hours remaining, 231.750000 MB of memory in use. ENERGY: 279000 3989.7616 20520.5595 14454.8190 249.0937 -203226.5759 2425.5393 0.0000 0.0000 51615.7708 -109971.0319 296.6365 -161586.8028 -109628.9839 297.7377 -372.7159 -345.2521 762341.8496 -11.1100 -10.8219 PRESSURE: 279200 211.195 42.6092 -39.0192 42.6095 45.2345 66.8171 -39.019 66.8181 34.4202 GPRESSURE: 279200 282.342 4.42428 -5.22654 -54.9318 147.016 54.0151 -55.5564 135.048 -53.2774 PRESSAVG: 279200 13.9816 -4.94532 2.1258 -4.94536 42.6882 21.3604 2.1258 21.3604 -3.02878 GPRESSAVG: 279200 14.2896 -7.15393 0.521254 -4.3919 42.472 21.0651 1.24765 21.2512 -3.19365 TIMING: 279200 CPU: 881.483, 0.00315838/step Wall: 881.483, 0.00315838/step, 4.14169 hours remaining, 231.750000 MB of memory in use. ENERGY: 279200 3926.5490 20269.7246 14475.2776 250.6280 -203530.5167 2769.6850 0.0000 0.0000 51721.4857 -110117.1668 297.2441 -161838.6525 -109754.0191 297.6077 96.9498 125.3605 760385.2613 17.8803 17.8560 PRESSURE: 279400 -168.453 -107.44 158.203 -107.439 67.4714 -147.12 158.203 -147.12 -198.721 GPRESSURE: 279400 -92.3974 -42.5472 140.684 -68.7141 147.028 -29.5947 125.765 -151.285 -251.567 PRESSAVG: 279400 3.92693 0.549529 -29.9523 0.54948 18.0124 -8.53324 -29.9523 -8.53316 11.4952 GPRESSAVG: 279400 3.76905 0.0637976 -29.5934 0.494274 18.4521 -7.76778 -28.7468 -8.39618 11.3774 TIMING: 279400 CPU: 882.115, 0.00316462/step Wall: 882.115, 0.00316462/step, 4.1497 hours remaining, 231.750000 MB of memory in use. ENERGY: 279400 4015.7050 20364.8106 14441.9965 219.0865 -203656.7095 2795.0611 0.0000 0.0000 51882.1818 -109937.8681 298.1676 -161820.0499 -109569.9074 297.7037 -99.9009 -65.6454 762425.3809 11.1448 11.1995 PRESSURE: 279600 -227.771 -77.3952 9.47748 -77.3949 -118.803 124.162 9.47775 124.161 -295.633 GPRESSURE: 279600 -140.666 -215.804 -45.1986 -39.9674 -101.378 122.463 114.304 39.3387 -336.179 PRESSAVG: 279600 -4.18123 35.3103 -27.2869 35.3103 -46.4065 -31.0892 -27.2869 -31.0892 -5.54237 GPRESSAVG: 279600 -4.76795 36.1491 -27.4097 34.3664 -46.0517 -29.6027 -25.6517 -31.5072 -5.90855 TIMING: 279600 CPU: 882.745, 0.00314521/step Wall: 882.745, 0.00314521/step, 4.12407 hours remaining, 231.750000 MB of memory in use. ENERGY: 279600 3987.8703 20472.5030 14434.3540 241.7403 -203601.5034 2978.2499 0.0000 0.0000 51707.1235 -109779.6624 297.1615 -161486.7859 -109426.1869 297.6757 -214.0689 -192.7410 762907.5578 -18.7100 -18.9094 PRESSURE: 279800 105.893 286.198 -30.2962 286.198 -251.518 -93.0686 -30.2968 -93.0689 365.621 GPRESSURE: 279800 97.8707 263.328 -90.0486 238.673 -150.06 -129.057 -11.9038 4.86152 366.261 PRESSAVG: 279800 -4.27894 21.7626 -28.0688 21.7625 -15.689 -21.7057 -28.0688 -21.7057 9.15368 GPRESSAVG: 279800 -3.33718 21.388 -25.5176 22.4575 -15.8636 -22.2663 -27.131 -19.415 8.51378 TIMING: 279800 CPU: 883.376, 0.00315658/step Wall: 883.376, 0.00315658/step, 4.1388 hours remaining, 231.750000 MB of memory in use. ENERGY: 279800 3991.6476 20517.9364 14457.5565 234.8766 -203433.4245 2808.5069 0.0000 0.0000 51820.0933 -109602.8072 297.8108 -161422.9005 -109240.6256 298.1019 73.3322 104.6906 762073.8463 -3.6048 -3.5623 PRESSURE: 280000 57.3966 -269.084 130.271 -269.085 -692.48 -58.4909 130.271 -58.4901 398.038 GPRESSURE: 280000 40.0684 -148.069 66.9151 -344.665 -582.096 -55.2364 -2.17835 -138.021 380.221 PRESSAVG: 280000 -17.5364 16.131 43.4225 16.1309 -4.71922 -35.1575 43.4225 -35.1575 -7.08152 GPRESSAVG: 280000 -18.6639 17.9804 41.9771 16.3486 -3.94039 -34.3187 41.0837 -36.717 -6.56743 TIMING: 280000 CPU: 884.009, 0.00316832/step Wall: 884.009, 0.00316832/step, 4.15402 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: 280000 3901.0831 20411.7494 14457.3323 252.6187 -203032.6817 2562.6998 0.0000 0.0000 51801.8521 -109645.3464 297.7060 -161447.1985 -109280.0896 298.3695 -79.0153 -53.9356 761432.3153 -9.7791 -9.7239 PRESSURE: 280200 -120.722 137.303 -44.8465 137.304 45.3625 -22.1517 -44.8465 -22.1522 -97.5125 GPRESSURE: 280200 -4.27259 79.2778 -63.6098 177.841 -67.5705 -1.8422 -29.917 -36.4316 -25.5517 PRESSAVG: 280200 -4.12345 28.8517 41.0785 28.8516 -2.95547 -21.5265 41.0785 -21.5266 0.632622 GPRESSAVG: 280200 -4.20518 27.433 40.1273 29.1436 -3.90178 -21.412 41.5399 -20.4651 1.20899 TIMING: 280200 CPU: 884.644, 0.0031714/step Wall: 884.644, 0.0031714/step, 4.15789 hours remaining, 231.750000 MB of memory in use. ENERGY: 280200 4013.4699 20524.6157 14530.7349 234.6825 -203207.9907 2409.2074 0.0000 0.0000 52093.8129 -109401.4673 299.3839 -161495.2802 -109040.4302 298.2850 -57.6239 -32.4649 760523.1959 -2.1488 -2.2993 LDB: ============= START OF LOAD BALANCING ============== 897.178 LDB: ============== END OF LOAD BALANCING =============== 897.178 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 897.18 LDB: ============= START OF LOAD BALANCING ============== 897.496 LDB: Largest compute 7060 load 0.029340 is 15.0% of average load 0.195079 LDB: Average compute 0.004409 is 2.3% of average load 0.195079 LDB: TIME 897.5 LOAD: AVG 0.195079 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.184 MB LDB: TIME 897.5 LOAD: AVG 0.195079 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.184 MB LDB: TIME 897.5 LOAD: AVG 0.195079 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.184 MB LDB: ============== END OF LOAD BALANCING =============== 897.502 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 897.507 PRESSURE: 280400 -0.434959 201.194 -102.413 201.194 -215.345 -167.216 -102.413 -167.215 -53.4286 GPRESSURE: 280400 19.2416 53.0408 -25.7474 72.3204 -181.591 -224.84 -52.2969 -35.4638 -23.8533 PRESSAVG: 280400 1.88454 40.6112 20.1974 40.6112 5.3481 -53.6624 20.1974 -53.6625 -9.83503 GPRESSAVG: 280400 2.96415 40.2802 22.2954 40.3353 4.52901 -55.2916 21.0595 -52.639 -10.3275 TIMING: 280400 CPU: 885.29, 0.0032304/step Wall: 885.29, 0.0032304/step, 4.23506 hours remaining, 232.570312 MB of memory in use. ENERGY: 280400 3948.8188 20415.2777 14398.2554 231.4185 -202911.6846 2318.0583 0.0000 0.0000 52185.3078 -109414.5481 299.9097 -161599.8559 -109054.9540 298.8715 -89.7361 -62.0676 762154.0867 -0.8675 -0.9448 PRESSURE: 280600 55.7274 -55.1797 86.539 -55.1797 289.972 -198.019 86.5396 -198.02 116.448 GPRESSURE: 280600 149.893 -8.60221 120.093 -3.05706 272.212 -195.612 33.9242 -49.0227 127.24 PRESSAVG: 280600 -21.7729 26.2158 52.7431 26.2158 10.7109 -37.8902 52.7432 -37.8902 -8.05236 GPRESSAVG: 280600 -21.7359 27.4189 52.7352 26.6772 10.7731 -37.8167 49.3936 -40.0588 -8.52047 TIMING: 280600 CPU: 885.922, 0.00316152/step Wall: 885.922, 0.00316152/step, 4.14457 hours remaining, 232.773438 MB of memory in use. ENERGY: 280600 3930.2038 20489.5158 14483.0215 244.2397 -202980.3600 2295.2296 0.0000 0.0000 52163.1767 -109374.9727 299.7825 -161538.1494 -109010.0671 298.5928 154.0490 183.1147 761492.6905 -6.3715 -6.4944 PRESSURE: 280800 -252.319 -226.387 -56.7697 -226.389 215.901 12.9854 -56.7694 12.9857 188.673 GPRESSURE: 280800 -111.38 -147.009 -107.066 -199.013 199.5 66.8282 0.092812 80.215 155.788 PRESSAVG: 280800 -38.3762 16.9702 38.9759 16.9702 48.0059 -27.0821 38.9758 -27.082 12.2615 GPRESSAVG: 280800 -38.8447 17.3674 38.3336 16.0828 48.0212 -28.7038 40.4058 -24.1266 12.5715 TIMING: 280800 CPU: 886.552, 0.00315109/step Wall: 886.552, 0.00315109/step, 4.13073 hours remaining, 232.773438 MB of memory in use. ENERGY: 280800 3958.3995 20610.5466 14476.8557 223.4813 -203370.5704 2730.9710 0.0000 0.0000 52142.9936 -109227.3228 299.6665 -161370.3163 -108863.9144 299.0298 50.7514 81.3026 761857.8770 7.2970 7.2494 PRESSURE: 281000 -29.2716 184.281 -36.0683 184.282 -334.261 116.731 -36.068 116.73 -229.152 GPRESSURE: 281000 16.7062 104.048 -22.2475 9.87568 -279.683 80.3107 -86.9575 -16.2333 -234.413 PRESSAVG: 281000 -2.79219 -7.20356 6.75093 -7.20355 16.7809 8.30546 6.75097 8.30537 -8.95778 GPRESSAVG: 281000 -1.57223 -6.18283 7.35407 -9.09715 16.1064 10.3066 8.011 6.21057 -10.0781 TIMING: 281000 CPU: 887.181, 0.00314154/step Wall: 887.181, 0.00314154/step, 4.11803 hours remaining, 232.773438 MB of memory in use. ENERGY: 281000 4073.3439 20595.4262 14394.5122 236.0220 -202960.0162 2433.2531 0.0000 0.0000 52081.1026 -109146.3562 299.3108 -161227.4588 -108791.9779 299.9539 -197.5616 -165.7967 762171.7395 1.6770 1.4854 PRESSURE: 281200 -5.25 -7.29325 241.874 -7.29333 255.326 -131.176 241.875 -131.177 224.662 GPRESSURE: 281200 26.9131 -67.7347 200.12 -16.6014 271.235 -77.942 287.281 -8.31214 276.006 PRESSAVG: 281200 -6.41816 -19.1725 7.13704 -19.1724 -27.7895 -18.1644 7.13705 -18.1644 16.0553 GPRESSAVG: 281200 -7.23495 -22.6392 5.71021 -15.9691 -28.579 -19.8582 7.95242 -16.9636 17.768 TIMING: 281200 CPU: 887.811, 0.0031522/step Wall: 887.811, 0.0031522/step, 4.13184 hours remaining, 232.773438 MB of memory in use. ENERGY: 281200 3989.6306 20545.2147 14512.3579 239.9660 -203076.7765 2716.5965 0.0000 0.0000 52034.9257 -109038.0852 299.0454 -161073.0109 -108678.5256 300.0040 158.2461 191.3846 762491.0285 -6.0508 -6.0153 PRESSURE: 281400 63.6137 382.1 204.459 382.1 282.988 10.399 204.461 10.3992 162.475 GPRESSURE: 281400 153.439 371.809 83.9439 422.558 294.299 -65.7253 129.304 -26.126 117.183 PRESSAVG: 281400 -3.89611 8.65098 -0.727239 8.65097 -37.6475 -32.4275 -0.727232 -32.4276 -25.2396 GPRESSAVG: 281400 -3.63946 9.13882 -2.03957 8.28503 -36.6691 -30.3522 -1.63563 -33.2206 -26.1491 TIMING: 281400 CPU: 888.441, 0.00314788/step Wall: 888.441, 0.00314788/step, 4.126 hours remaining, 232.773438 MB of memory in use. ENERGY: 281400 4006.2718 20503.0262 14522.6738 247.3438 -203349.8053 2452.3524 0.0000 0.0000 52500.6362 -109117.5010 301.7219 -161618.1373 -108747.5385 299.6461 169.6923 188.3070 761703.2880 -22.2611 -22.1525 PRESSURE: 281600 299.507 -75.738 186.405 -75.7386 -235.255 -81.9797 186.405 -81.979 97.7007 GPRESSURE: 281600 293.893 -3.81589 252.298 -33.5129 -193.437 -143.449 165.091 10.3449 138.995 PRESSAVG: 281600 39.6132 22.4163 36.942 22.4163 -48.7271 -50.9101 36.9421 -50.9101 11.2882 GPRESSAVG: 281600 39.3714 22.799 38.3245 22.9594 -48.6679 -52.1852 36.4886 -50.1326 11.4586 TIMING: 281600 CPU: 889.07, 0.00314828/step Wall: 889.07, 0.00314828/step, 4.12635 hours remaining, 232.773438 MB of memory in use. ENERGY: 281600 4028.1345 20560.6717 14469.0926 233.5426 -203774.5072 2991.7272 0.0000 0.0000 52258.9225 -109232.4161 300.3327 -161491.3386 -108870.4136 299.5603 53.9844 79.8171 762564.6282 0.7248 0.7207 PRESSURE: 281800 -421.414 -56.6207 87.0445 -56.6211 -17.6692 100.796 87.0444 100.797 -149.564 GPRESSURE: 281800 -268.446 -83.3754 10.3023 -90.4244 -91.6062 121.303 11.8185 23.6076 -129.791 PRESSAVG: 281800 9.16461 2.96782 -8.02186 2.96785 -57.6741 10.9794 -8.02181 10.9794 4.44311 GPRESSAVG: 281800 9.52363 2.36823 -7.64021 3.07911 -57.0184 11.6591 -7.59214 11.1451 4.14593 TIMING: 281800 CPU: 889.7, 0.00314981/step Wall: 889.7, 0.00314981/step, 4.12817 hours remaining, 232.773438 MB of memory in use. ENERGY: 281800 3972.6465 20567.6943 14510.4837 235.2375 -203108.8364 2505.1037 0.0000 0.0000 52008.1699 -109309.5008 298.8917 -161317.6707 -108944.7624 299.5161 -196.2158 -163.2811 763297.2934 -14.6888 -14.4496 PRESSURE: 282000 -44.9427 -87.4458 -179.637 -87.4455 -237.398 3.65675 -179.636 3.65724 -289.84 GPRESSURE: 282000 -56.9701 -218.581 -125.104 -60.9568 -225.137 -32.4139 -116.439 154.813 -179.191 PRESSAVG: 282000 9.54542 -40.0194 43.2001 -40.0193 -0.531121 -20.4204 43.2001 -20.4203 -10.9991 GPRESSAVG: 282000 9.05001 -41.2927 42.1888 -41.0056 -0.889424 -20.6685 43.771 -19.223 -10.0925 TIMING: 282000 CPU: 890.327, 0.00313188/step Wall: 890.327, 0.00313188/step, 4.10451 hours remaining, 232.773438 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: 282000 3990.4649 20320.1463 14431.5355 247.0265 -203028.4457 2537.3098 0.0000 0.0000 52193.7893 -109308.1734 299.9584 -161501.9627 -108949.7879 299.2548 -190.7270 -153.7660 763290.9026 -0.6616 -0.6440 PRESSURE: 282200 180.558 82.0554 -100.339 82.0551 356.96 -87.6563 -100.34 -87.6567 -138.22 GPRESSURE: 282200 203.345 132.384 -98.4518 -29.3748 337.043 -166.154 -108.098 -100.979 -78.8109 PRESSAVG: 282200 18.013 26.2581 -7.09282 26.2581 11.7123 -16.5079 -7.09278 -16.5079 2.3307 GPRESSAVG: 282200 17.4622 29.2069 -8.07052 25.6843 12.054 -16.8663 -6.72314 -16.6857 2.34097 TIMING: 282200 CPU: 890.953, 0.00313025/step Wall: 890.953, 0.00313025/step, 4.1022 hours remaining, 232.773438 MB of memory in use. ENERGY: 282200 4042.6105 20335.9544 14469.2342 224.9066 -203305.0367 2772.8453 0.0000 0.0000 51997.4806 -109462.0052 298.8302 -161459.4858 -109102.6408 298.4643 133.0992 153.8592 762957.6268 10.6853 10.6191 PRESSURE: 282400 249.521 96.2544 49.8129 96.2544 -171.03 102.559 49.8133 102.559 361.014 GPRESSURE: 282400 249.039 22.9559 -15.6402 15.3193 -137.357 -3.47593 104.291 88.5031 415.871 PRESSAVG: 282400 -68.7763 49.3508 29.5049 49.3508 30.6282 -21.6889 29.5049 -21.6888 -6.6583 GPRESSAVG: 282400 -68.2531 48.5421 30.1134 49.063 30.7846 -21.1661 27.522 -23.9726 -7.41243 TIMING: 282400 CPU: 891.58, 0.00313453/step Wall: 891.58, 0.00313453/step, 4.10762 hours remaining, 232.773438 MB of memory in use. ENERGY: 282400 3984.5511 20585.7313 14407.1049 267.3696 -203180.8777 2685.9681 0.0000 0.0000 51996.8150 -109253.3378 298.8264 -161250.1528 -108898.2924 299.1948 146.5018 175.8508 762740.0663 -14.9355 -14.9603 PRESSURE: 282600 -59.7747 -66.0871 -229.369 -66.0878 13.4432 255.065 -229.369 255.065 -171.377 GPRESSURE: 282600 42.643 -51.2691 -159.552 -21.8051 -10.1298 285.62 -257.843 189.625 -173.904 PRESSAVG: 282600 5.38192 13.377 -21.8167 13.3771 7.95926 15.1407 -21.8167 15.1407 6.82403 GPRESSAVG: 282600 4.51982 15.0011 -20.4186 13.3773 8.04634 15.3073 -20.4747 15.2168 7.85264 TIMING: 282600 CPU: 892.208, 0.00313973/step Wall: 892.208, 0.00313973/step, 4.11427 hours remaining, 232.773438 MB of memory in use. ENERGY: 282600 4105.2493 20622.2423 14504.2328 260.2981 -203482.0023 2683.6347 0.0000 0.0000 52113.7574 -109192.5877 299.4985 -161306.3451 -108841.6621 299.6172 -72.5695 -47.1301 763399.2444 6.7217 6.8063 PRESSURE: 282800 -1.57514 -349.785 -20.3528 -349.785 -206.523 -43.0331 -20.3526 -43.0333 -196.696 GPRESSURE: 282800 36.709 -303.616 -77.0906 -344.616 -70.0487 -116.598 -90.4949 -80.1601 -262.673 PRESSAVG: 282800 -30.9266 32.5208 -8.10058 32.5208 52.3579 0.148118 -8.10062 0.1481 25.2669 GPRESSAVG: 282800 -30.6815 32.2127 -9.24891 32.3457 51.912 -0.420162 -8.60499 0.829033 25.2711 TIMING: 282800 CPU: 892.839, 0.00315486/step Wall: 892.839, 0.00315486/step, 4.13392 hours remaining, 232.773438 MB of memory in use. ENERGY: 282800 3851.0676 20404.8403 14451.1669 253.6081 -203344.5099 2576.7634 0.0000 0.0000 52363.6448 -109443.4187 300.9346 -161807.0635 -109070.4388 299.5242 -134.9316 -98.6709 761271.2879 15.5661 15.5005 PRESSURE: 283000 78.9115 -82.0863 66.9573 -82.0876 17.3668 135.045 66.9569 135.044 -138.623 GPRESSURE: 283000 61.2674 -74.5694 102.983 -16.5592 149.732 139.472 249.864 149.769 -163.694 PRESSAVG: 283000 17.736 -31.778 11.0866 -31.7781 -36.2635 10.3538 11.0866 10.3539 16.9717 GPRESSAVG: 283000 16.8154 -34.4113 12.4041 -29.6747 -35.1072 10.0098 11.936 11.3615 15.8245 TIMING: 283000 CPU: 893.468, 0.00314935/step Wall: 893.468, 0.00314935/step, 4.12652 hours remaining, 232.773438 MB of memory in use. ENERGY: 283000 3918.5545 20636.9691 14468.2289 244.2367 -203261.5802 2635.7663 0.0000 0.0000 51874.2745 -109483.5502 298.1222 -161357.8247 -109127.3739 299.3195 -14.1148 15.7684 761988.9478 -0.5186 -0.8225 PRESSURE: 283200 -42.6313 -88.6131 29.3488 -88.614 229.874 -91.7293 29.3482 -91.7299 497.213 GPRESSURE: 283200 -3.55471 6.91652 35.5936 -100.775 231.482 -163.747 -31.5079 -48.3907 532.173 PRESSAVG: 283200 12.0175 10.5992 53.0707 10.5991 -7.66349 -35.4753 53.0707 -35.4753 6.95698 GPRESSAVG: 283200 12.431 10.8402 51.5362 8.05522 -8.79201 -34.0069 53.9758 -35.836 7.17904 TIMING: 283200 CPU: 894.096, 0.00313955/step Wall: 894.096, 0.00313955/step, 4.1135 hours remaining, 232.773438 MB of memory in use. ENERGY: 283200 3860.3125 20579.7566 14494.6369 274.6151 -203478.0952 2656.5747 0.0000 0.0000 52170.0137 -109442.1857 299.8218 -161612.1994 -109066.0408 299.4645 228.1517 253.3666 760840.5462 3.7703 3.6060 PRESSURE: 283400 -111.369 -2.84978 -51.8789 -2.85003 37.2371 -102.766 -51.8793 -102.767 -3.78824 GPRESSURE: 283400 -124.974 35.5221 101.475 -130.928 31.8706 -131.423 -32.5132 -46.0522 96.0956 PRESSAVG: 283400 19.0386 -46.7368 14.3511 -46.7368 6.00804 -4.87128 14.351 -4.87132 -18.5325 GPRESSAVG: 283400 19.3401 -46.325 15.0781 -44.5736 5.01738 -4.31533 13.8165 -5.55362 -17.7634 TIMING: 283400 CPU: 894.727, 0.00315121/step Wall: 894.727, 0.00315121/step, 4.12861 hours remaining, 232.773438 MB of memory in use. ENERGY: 283400 3888.3933 20633.4107 14456.9626 251.4464 -203198.2025 2635.9874 0.0000 0.0000 52166.9960 -109165.0062 299.8044 -161332.0022 -108802.7854 299.3697 -25.9733 0.9973 762513.7610 2.1714 2.1980 PRESSURE: 283600 -129.518 106.765 -95.5301 106.765 207.979 66.2371 -95.5286 66.237 -121.407 GPRESSURE: 283600 -93.0072 95.682 -117.026 46.0516 243.124 -46.8127 -56.9937 71.8114 -79.3315 PRESSAVG: 283600 14.3964 57.2111 12.5484 57.2111 -7.27329 -28.8499 12.5484 -28.85 13.1936 GPRESSAVG: 283600 14.6049 57.977 12.0347 56.9136 -7.68505 -31.9824 10.9399 -26.7095 13.2359 TIMING: 283600 CPU: 895.36, 0.00316529/step Wall: 895.36, 0.00316529/step, 4.14688 hours remaining, 232.773438 MB of memory in use. ENERGY: 283600 4002.0626 20532.7129 14541.8867 268.2543 -203299.6673 2668.1141 0.0000 0.0000 52136.5440 -109150.0928 299.6294 -161286.6367 -108788.1693 299.6420 -14.3156 23.5951 762788.3009 6.7722 6.7186 PRESSURE: 283800 -79.8718 -361.394 -23.3754 -361.394 -31.8456 170.302 -23.3752 170.303 107.596 GPRESSURE: 283800 -19.9998 -250.022 19.948 -417.985 -8.66715 253.503 -42.8328 7.49754 108.74 PRESSAVG: 283800 75.5649 19.0784 35.2629 19.0784 -34.7687 13.3033 35.2629 13.3032 -8.40594 GPRESSAVG: 283800 75.0744 18.6884 34.1831 19.3455 -33.5892 15.0829 36.5546 12.4451 -8.63216 TIMING: 283800 CPU: 895.992, 0.0031625/step Wall: 895.992, 0.0031625/step, 4.14305 hours remaining, 232.773438 MB of memory in use. ENERGY: 283800 4097.9405 20530.7497 14532.7722 250.7847 -203753.5170 2976.2626 0.0000 0.0000 52261.8112 -109103.1962 300.3493 -161365.0074 -108745.9484 299.7866 -1.3738 26.6911 763474.1793 10.7968 10.9510 PRESSURE: 284000 -74.4746 -246.804 48.6371 -246.805 -245.325 113.44 48.6368 113.44 225.685 GPRESSURE: 284000 16.1891 -299.165 41.6279 -232.03 -248.811 69.7783 129.216 194.645 226.496 PRESSAVG: 284000 55.3007 -16.2662 22.235 -16.2662 -48.3365 25.5316 22.2351 25.5316 32.9625 GPRESSAVG: 284000 57.5171 -14.7462 23.9227 -16.5374 -49.506 26.6133 19.8516 23.1021 32.4143 TIMING: 284000 CPU: 896.623, 0.00315584/step Wall: 896.623, 0.00315584/step, 4.13416 hours remaining, 232.773438 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: 284000 3948.9246 20455.3834 14507.1441 236.9627 -203133.5986 2634.9642 0.0000 0.0000 51984.8880 -109365.3315 298.7579 -161350.2195 -108992.0414 299.3249 -31.3716 -2.0420 761572.2834 13.3089 13.4751 PRESSURE: 284200 -170.291 -17.8896 -181.134 -17.8897 -24.5896 -238.019 -181.135 -238.019 -265.327 GPRESSURE: 284200 -181.072 11.4036 -159.532 -22.5999 85.2883 -207.791 -194.657 -210.827 -283.048 PRESSAVG: 284200 -3.90411 -28.9148 2.29901 -28.9148 14.3089 -75.5393 2.299 -75.5392 2.39722 GPRESSAVG: 284200 -5.56951 -29.4435 3.52584 -28.7833 14.8089 -78.8699 2.67866 -72.7564 3.32492 TIMING: 284200 CPU: 897.252, 0.00314466/step Wall: 897.252, 0.00314466/step, 4.11934 hours remaining, 232.773438 MB of memory in use. ENERGY: 284200 3981.3607 20620.5828 14490.9929 254.8998 -203300.1867 2717.7866 0.0000 0.0000 52134.2374 -109100.3265 299.6162 -161234.5639 -108727.0354 299.1385 -153.4024 -126.2774 763743.8693 4.2673 4.1881 LDB: ============= START OF LOAD BALANCING ============== 909.785 LDB: ============== END OF LOAD BALANCING =============== 909.786 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 909.787 LDB: ============= START OF LOAD BALANCING ============== 910.101 LDB: Largest compute 7060 load 0.029816 is 15.3% of average load 0.195114 LDB: Average compute 0.004388 is 2.2% of average load 0.195114 LDB: TIME 910.105 LOAD: AVG 0.195114 MAX 0.219105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.09 MB LDB: TIME 910.105 LOAD: AVG 0.195114 MAX 0.219105 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.254 MB LDB: TIME 910.105 LOAD: AVG 0.195114 MAX 0.214613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.254 MB LDB: ============== END OF LOAD BALANCING =============== 910.107 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 910.112 PRESSURE: 284400 41.0264 374.681 -128.478 374.681 -63.1296 -29.7815 -128.478 -29.7819 -361.025 GPRESSURE: 284400 146.353 385.332 -211.615 270.895 -54.9137 77.5223 -23.7576 -33.7116 -389.938 PRESSAVG: 284400 20.5731 31.0387 -12.1732 31.0386 -1.07428 -91.4411 -12.1732 -91.4411 -5.72131 GPRESSAVG: 284400 21.2459 31.8478 -13.4651 31.0774 -0.837452 -87.6022 -12.8557 -93.05 -5.98032 TIMING: 284400 CPU: 897.895, 0.00321507/step Wall: 897.895, 0.00321507/step, 4.21138 hours remaining, 232.066406 MB of memory in use. ENERGY: 284400 3967.6368 20783.3840 14429.5711 231.3007 -203123.0773 2473.9041 0.0000 0.0000 52137.3184 -109099.9621 299.6339 -161237.2805 -108739.9227 299.4636 -127.7093 -99.4997 761953.7789 4.5925 4.8094 PRESSURE: 284600 -157.484 170.054 73.6843 170.053 -200.376 70.6823 73.6846 70.6822 -184.716 GPRESSURE: 284600 -103.911 94.6048 64.7951 220.349 -162.223 105.508 157.556 139.957 -202.046 PRESSAVG: 284600 55.1282 38.1726 24.0304 38.1726 -7.91236 -13.003 24.0304 -13.003 17.1972 GPRESSAVG: 284600 54.0267 37.8215 24.7823 38.3752 -6.99281 -14.408 24.5253 -11.3934 17.3343 TIMING: 284600 CPU: 898.522, 0.00313529/step Wall: 898.522, 0.00313529/step, 4.10671 hours remaining, 232.066406 MB of memory in use. ENERGY: 284600 3998.4355 20659.8365 14514.6850 267.7491 -203293.7673 2737.4954 0.0000 0.0000 52061.3770 -109054.1888 299.1974 -161115.5658 -108700.8038 299.5500 -180.8586 -156.0600 763139.3624 21.4710 21.4561 PRESSURE: 284800 12.2025 -6.4029 211.678 -6.40423 -125.104 2.17146 211.678 2.17238 16.2671 GPRESSURE: 284800 78.6395 -129.144 108.28 87.4188 -112.394 -92.4794 233.967 -7.86529 38.5598 PRESSAVG: 284800 93.5243 10.578 15.833 10.578 -38.0645 -68.9627 15.833 -68.9627 16.5406 GPRESSAVG: 284800 94.5981 11.8433 16.685 7.59613 -38.4533 -69.14 16.6842 -69.3811 16.5819 TIMING: 284800 CPU: 899.151, 0.00314137/step Wall: 899.151, 0.00314137/step, 4.11449 hours remaining, 232.066406 MB of memory in use. ENERGY: 284800 4049.4226 20498.8583 14366.2555 256.1205 -202972.4171 2566.0075 0.0000 0.0000 52389.5590 -108846.1937 301.0835 -161235.7527 -108486.0104 300.0084 -32.2113 1.6016 762395.8285 24.0001 24.2422 PRESSURE: 285000 -224.038 -92.0233 -195.083 -92.0232 61.9015 -82.7567 -195.083 -82.7565 110.117 GPRESSURE: 285000 -123.754 -74.617 -79.8805 -99.4733 0.0107367 -159.536 -201.662 -129.24 148.239 PRESSAVG: 285000 91.7357 -19.1995 -13.317 -19.1995 -62.8798 -50.8468 -13.317 -50.8468 -2.17967 GPRESSAVG: 285000 91.3879 -20.3483 -14.1703 -18.111 -62.5756 -51.0717 -15.6079 -50.3042 -2.01803 TIMING: 285000 CPU: 899.779, 0.00313977/step Wall: 899.779, 0.00313977/step, 4.11223 hours remaining, 232.066406 MB of memory in use. ENERGY: 285000 3970.5260 20682.8599 14435.3005 242.3618 -203346.7413 2738.8849 0.0000 0.0000 52013.5737 -109263.2346 298.9227 -161276.8082 -108909.2459 299.7707 -17.3401 8.1651 763827.1477 8.8921 8.9314 PRESSURE: 285200 -136.177 29.9894 189.994 29.9896 64.1239 125.136 189.994 125.136 168.883 GPRESSURE: 285200 -97.7136 51.2937 89.2787 -29.0566 87.4458 158.921 202.546 6.58664 171.242 PRESSAVG: 285200 11.8389 64.109 -4.24213 64.109 -8.54075 -37.7924 -4.24218 -37.7924 8.3468 GPRESSAVG: 285200 12.8563 64.1327 -5.51173 63.8687 -9.43838 -38.8762 -2.51551 -38.5046 8.25881 TIMING: 285200 CPU: 900.409, 0.00315377/step Wall: 900.409, 0.00315377/step, 4.13039 hours remaining, 232.066406 MB of memory in use. ENERGY: 285200 3965.4717 20486.9554 14566.1851 241.0116 -203067.1480 2518.0821 0.0000 0.0000 52237.7292 -109051.7128 300.2109 -161289.4420 -108680.1480 299.6204 32.2768 53.6580 762841.9086 3.8817 3.8922 PRESSURE: 285400 -137.284 -27.0157 -41.4181 -27.016 -70.4848 -59.57 -41.4177 -59.5704 37.9773 GPRESSURE: 285400 -141.66 -26.4471 -108.135 -38.6115 60.4459 -111.017 -39.269 -125.555 -14.8909 PRESSAVG: 285400 44.278 4.59571 11.1872 4.59566 -48.0391 -32.2149 11.1872 -32.2148 7.67074 GPRESSAVG: 285400 43.4428 3.5254 11.6575 5.70957 -47.763 -30.3012 13.1104 -31.7813 8.17269 TIMING: 285400 CPU: 901.036, 0.00313546/step Wall: 901.036, 0.00313546/step, 4.10624 hours remaining, 232.269531 MB of memory in use. ENERGY: 285400 3896.6001 20587.8182 14456.0146 243.6266 -202803.2346 2458.9575 0.0000 0.0000 52031.4073 -109128.8104 299.0252 -161160.2177 -108771.4663 299.2548 -56.5972 -32.0349 763988.4345 1.3032 1.2841 PRESSURE: 285600 -14.3509 -7.86909 -235.301 -7.86837 56.046 -129.935 -235.302 -129.935 -332.49 GPRESSURE: 285600 48.397 98.2083 -206.492 -46.0453 80.716 -135.395 -142.191 -8.49361 -344.879 PRESSAVG: 285600 28.5315 -14.0779 40.7113 -14.078 -32.8203 -0.0941556 40.7113 -0.0941147 4.71473 GPRESSAVG: 285600 29.0754 -12.8376 42.2 -14.6293 -33.2168 0.290911 38.7246 0.569194 4.16449 TIMING: 285600 CPU: 901.667, 0.003155/step Wall: 901.667, 0.003155/step, 4.13164 hours remaining, 232.269531 MB of memory in use. ENERGY: 285600 4039.8211 20581.7955 14510.2031 248.3491 -203223.1722 2605.6710 0.0000 0.0000 51996.8950 -109240.4375 298.8269 -161237.3324 -108874.9074 299.7585 -96.9316 -71.9221 762591.8295 0.1420 0.0077 PRESSURE: 285800 140.53 -145.361 129.137 -145.361 -29.3434 -10.6746 129.137 -10.6743 279.192 GPRESSURE: 285800 150.571 -77.1675 135.221 -204.761 -57.8304 111.295 284.584 -31.0652 372.229 PRESSAVG: 285800 46.7135 -15.541 23.939 -15.5409 -29.2251 25.8619 23.939 25.8619 -1.42607 GPRESSAVG: 285800 46.2571 -16.5237 24.5168 -14.6041 -29.9785 26.3422 24.4463 24.5662 -0.0958821 TIMING: 285800 CPU: 902.299, 0.00315601/step Wall: 902.299, 0.00315601/step, 4.13279 hours remaining, 232.269531 MB of memory in use. ENERGY: 285800 4033.3766 20511.9645 14411.9195 245.1729 -203967.4223 3211.6806 0.0000 0.0000 52331.0232 -109222.2850 300.7471 -161553.3082 -108862.9514 299.4078 130.1261 154.9896 762707.8319 5.3541 5.3942 PRESSURE: 286000 190.124 15.0777 -53.9013 15.0781 96.4954 33.1986 -53.9009 33.1991 227.474 GPRESSURE: 286000 157.872 -12.3131 -44.1126 -2.31092 195.54 -26.8847 8.59384 -36.187 233.363 PRESSAVG: 286000 -6.40092 0.0193122 57.03 0.0193273 -9.87276 0.826464 57.03 0.826435 0.175623 GPRESSAVG: 286000 -8.06126 1.45569 55.2217 -1.33045 -7.26232 -2.24942 57.5816 1.70699 -0.965269 TIMING: 286000 CPU: 902.925, 0.00313003/step Wall: 902.925, 0.00313003/step, 4.0986 hours remaining, 232.269531 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: 286000 3947.6014 20581.4020 14490.0842 234.3039 -203095.9215 2561.9956 0.0000 0.0000 51937.4421 -109343.0922 298.4852 -161280.5343 -108989.7207 298.9291 171.3645 195.5914 761788.4378 -5.3660 -5.4296 PRESSURE: 286200 124.938 25.6904 -53.7173 25.6905 290.099 63.642 -53.7173 63.6423 56.7361 GPRESSURE: 286200 185.646 -11.6387 59.3822 -79.5272 383.709 -4.98679 -92.9344 44.7725 -8.8631 PRESSAVG: 286200 2.84299 -18.8393 29.8415 -18.8394 20.4707 20.1549 29.8415 20.1549 -6.75072 GPRESSAVG: 286200 4.14734 -20.4418 31.2248 -15.9005 19.2956 21.6842 28.2062 18.1908 -6.81283 TIMING: 286200 CPU: 903.548, 0.00311621/step Wall: 903.548, 0.00311621/step, 4.08033 hours remaining, 232.269531 MB of memory in use. ENERGY: 286200 3945.6063 20592.4493 14461.4589 238.1844 -203529.1069 2835.1096 0.0000 0.0000 52061.9146 -109394.3838 299.2005 -161456.2984 -109041.2194 299.2163 157.2576 186.8308 761935.3289 5.5210 5.5434 PRESSURE: 286400 242.275 25.6337 -185.064 25.6343 -30.5038 186.15 -185.065 186.15 -117.494 GPRESSURE: 286400 270.7 36.2502 -129.895 55.352 2.83792 151.204 -261.184 152.058 -118.038 PRESSAVG: 286400 78.9505 -31.0579 2.39707 -31.0579 -58.3801 -4.14775 2.39706 -4.14779 9.63652 GPRESSAVG: 286400 78.1487 -31.0914 2.33896 -32.0318 -57.4738 -4.52435 2.89324 -2.84235 9.55643 TIMING: 286400 CPU: 904.178, 0.00314857/step Wall: 904.178, 0.00314857/step, 4.12252 hours remaining, 232.269531 MB of memory in use. ENERGY: 286400 4000.8213 20375.1563 14553.6020 266.3247 -203580.2718 2884.8625 0.0000 0.0000 51905.3854 -109594.1196 298.3010 -161499.5050 -109232.0292 299.1871 31.4259 51.8332 761669.1492 10.0690 10.0771 PRESSURE: 286600 313.017 139.801 -10.5318 139.802 -223.023 -96.9875 -10.5323 -96.988 -207.036 GPRESSURE: 286600 372.303 169.525 -25.3404 128.622 -131.924 -56.0522 27.1872 -46.6949 -279.477 PRESSAVG: 286600 -5.63935 45.7315 10.5365 45.7315 6.12738 13.928 10.5366 13.928 -20.0769 GPRESSAVG: 286600 -4.30826 45.8208 11.9023 44.6294 5.79902 14.7689 9.919 14.9942 -21.0091 TIMING: 286600 CPU: 904.807, 0.00314472/step Wall: 904.807, 0.00314472/step, 4.11731 hours remaining, 232.269531 MB of memory in use. ENERGY: 286600 3983.1720 20529.7445 14501.7450 237.3881 -203750.0855 2740.2870 0.0000 0.0000 52131.1929 -109626.5558 299.5987 -161757.7488 -109269.2848 298.4544 -39.0138 -13.0323 760894.1275 -6.5296 -6.5061 PRESSURE: 286800 -260.857 -109.505 -6.70716 -109.504 151.542 -123.423 -6.70733 -123.424 -325.981 GPRESSURE: 286800 -256.203 26.8557 27.7638 -116.747 225.562 -214.452 37.6968 -191.943 -337.644 PRESSAVG: 286800 32.31 38.8471 29.4007 38.8471 -51.9933 -41.067 29.4007 -41.0669 -15.0423 GPRESSAVG: 286800 30.9502 40.2838 27.58 39.1976 -50.8983 -42.2812 30.5055 -41.2752 -14.4214 TIMING: 286800 CPU: 905.436, 0.00314513/step Wall: 905.436, 0.00314513/step, 4.11767 hours remaining, 232.269531 MB of memory in use. ENERGY: 286800 4004.0880 20529.9637 14447.4428 247.7584 -203604.9946 2658.1725 0.0000 0.0000 52133.7765 -109583.7928 299.6135 -161717.5693 -109229.6832 298.5077 -145.0989 -122.7620 761093.0017 -11.5752 -11.4565 PRESSURE: 287000 -60.6249 324.066 -189.182 324.065 -123.291 88.4367 -189.182 88.4374 -404.825 GPRESSURE: 287000 -18.7592 233.85 -125.77 227.333 -34.1897 145.453 -109 -28.8369 -457.984 PRESSAVG: 287000 20.5716 11.6315 60.6463 11.6315 -0.329226 -32.2113 60.6463 -32.2112 -16.8045 GPRESSAVG: 287000 20.2474 9.02824 61.2495 12.0698 -1.42609 -31.897 60.072 -33.1236 -16.6644 TIMING: 287000 CPU: 906.068, 0.0031631/step Wall: 906.068, 0.0031631/step, 4.14103 hours remaining, 232.269531 MB of memory in use. ENERGY: 287000 4014.5760 20422.4184 14481.1691 236.4052 -203364.7980 2851.0151 0.0000 0.0000 51805.9204 -109553.2939 297.7293 -161359.2143 -109195.0490 298.4674 -196.2471 -170.3111 762884.0771 1.1460 0.7190 PRESSURE: 287200 285.53 38.141 -237.042 38.1408 -63.1673 159.495 -237.042 159.495 363.931 GPRESSURE: 287200 303.216 145.643 -256.268 87.1289 35.0861 97.2336 -142.074 253.8 319.642 PRESSAVG: 287200 2.38895 32.5346 23.7561 32.5346 1.02703 -26.8108 23.7561 -26.8108 12.5343 GPRESSAVG: 287200 2.50654 34.1447 23.5237 33.0914 2.09821 -27.114 24.1911 -26.4693 12.0582 TIMING: 287200 CPU: 906.696, 0.00313901/step Wall: 906.696, 0.00313901/step, 4.10931 hours remaining, 232.269531 MB of memory in use. ENERGY: 287200 3940.4828 20434.3132 14463.4300 249.9067 -203365.5310 2768.4711 0.0000 0.0000 51995.6209 -109513.3064 298.8195 -161508.9273 -109150.4549 298.6217 195.4312 219.3146 761977.4373 5.3167 5.5543 PRESSURE: 287400 105.411 93.2619 120.189 93.2618 39.1541 25.2039 120.188 25.2034 -189.817 GPRESSURE: 287400 181.738 104.879 144.821 108.924 130.745 84.457 123.416 -137.346 -266.73 PRESSAVG: 287400 -30.431 3.60868 17.2035 3.60868 49.2226 12.2119 17.2034 12.2119 9.00751 GPRESSAVG: 287400 -30.279 2.73651 14.5567 3.14523 48.6112 11.8804 21.1634 11.1239 9.87336 TIMING: 287400 CPU: 907.327, 0.00315411/step Wall: 907.327, 0.00315411/step, 4.1289 hours remaining, 232.269531 MB of memory in use. ENERGY: 287400 4067.5045 20291.1083 14535.0826 243.0408 -203717.0761 2880.8073 0.0000 0.0000 52044.7823 -109654.7502 299.1021 -161699.5325 -109293.8300 298.5198 -15.0840 15.2508 762347.7992 9.2664 9.4019 PRESSURE: 287600 -13.1902 -35.325 284.085 -35.3257 0.212372 88.9069 284.085 88.908 79.5097 GPRESSURE: 287600 16.0095 109.206 256.201 -73.9112 30.0131 91.1382 173.45 20.0274 93.9631 PRESSAVG: 287600 0.303743 13.2157 28.6175 13.2157 18.8576 -1.96161 28.6175 -1.96161 33.431 GPRESSAVG: 287600 0.0115673 13.8566 30.1777 12.8003 19.5175 -1.41235 25.5893 -2.39123 32.9047 TIMING: 287600 CPU: 907.959, 0.00316265/step Wall: 907.959, 0.00316265/step, 4.13991 hours remaining, 232.269531 MB of memory in use. ENERGY: 287600 3995.7890 20546.8434 14439.0458 234.1077 -203352.6256 2900.6144 0.0000 0.0000 51758.1226 -109478.1027 297.4546 -161236.2253 -109120.0058 298.4451 22.1773 46.6619 764055.1968 17.5308 17.4779 PRESSURE: 287800 -24.7179 -24.747 155.85 -24.747 113.713 -95.9624 155.85 -95.9623 -245.589 GPRESSURE: 287800 37.7663 -4.20822 133.36 -89.6329 55.4905 -64.3883 168.916 34.1172 -172.262 PRESSAVG: 287800 -49.6095 47.6752 72.8278 47.6752 36.9275 16.5379 72.8278 16.5379 -4.57847 GPRESSAVG: 287800 -49.6355 48.3941 72.4503 47.8501 36.9898 16.0199 72.1422 19.5025 -4.39385 TIMING: 287800 CPU: 908.588, 0.00314526/step Wall: 908.588, 0.00314526/step, 4.11697 hours remaining, 232.269531 MB of memory in use. ENERGY: 287800 3980.9187 20490.6165 14391.8473 259.4806 -203182.0597 2562.2093 0.0000 0.0000 52228.1337 -109268.8535 300.1558 -161496.9872 -108909.9153 298.8513 -52.1981 -26.3352 763214.2733 -5.7535 -5.6798 PRESSURE: 288000 -328.99 -141.438 330.52 -141.439 -148.588 -266.207 330.52 -266.208 -87.2644 GPRESSURE: 288000 -318.005 -132.805 307.081 -20.613 -153.434 -296.276 301.347 -229.978 -5.58357 PRESSAVG: 288000 -72.8111 8.91267 68.467 8.91262 74.0673 27.7293 68.467 27.7293 -18.3399 GPRESSAVG: 288000 -72.3536 8.68954 68.716 9.72493 73.4965 28.3716 68.939 26.5068 -18.3275 TIMING: 288000 CPU: 909.215, 0.00313174/step Wall: 909.215, 0.00313174/step, 4.0991 hours remaining, 232.269531 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: 288000 3918.4436 20425.1742 14479.2109 239.5356 -202987.1396 2550.0561 0.0000 0.0000 51791.1517 -109583.5676 297.6445 -161374.7193 -109241.0174 298.9288 -188.2809 -159.0075 761871.9666 -5.6946 -5.7282 PRESSURE: 288200 37.9215 91.8474 -48.7069 91.847 -96.7515 -54.1365 -48.7071 -54.1372 -143.814 GPRESSURE: 288200 47.8084 77.4619 14.6986 45.9432 -42.707 -33.9249 -131.027 81.8322 -129.958 PRESSAVG: 288200 -59.0311 -6.35343 56.986 -6.35348 48.8872 28.518 56.9861 28.518 2.85689 GPRESSAVG: 288200 -59.1829 -6.82725 58.4745 -5.9455 49.1979 27.6204 57.3136 30.5323 2.44604 TIMING: 288200 CPU: 909.839, 0.0031238/step Wall: 909.839, 0.0031238/step, 4.08853 hours remaining, 232.269531 MB of memory in use. ENERGY: 288200 4046.0758 20305.7469 14511.0085 223.9218 -202957.4940 2394.3860 0.0000 0.0000 51700.7707 -109775.5845 297.1250 -161476.3552 -109414.3992 298.3022 -67.5481 -41.6187 762739.2318 -2.4290 -2.5130 LDB: ============= START OF LOAD BALANCING ============== 922.371 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 922.372 LDB: =============== DONE WITH MIGRATION ================ 922.373 LDB: ============= START OF LOAD BALANCING ============== 922.689 LDB: Largest compute 7060 load 0.029840 is 15.3% of average load 0.195119 LDB: Average compute 0.004375 is 2.2% of average load 0.195119 LDB: TIME 922.693 LOAD: AVG 0.195119 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.043 MB LDB: TIME 922.693 LOAD: AVG 0.195119 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.043 MB LDB: TIME 922.693 LOAD: AVG 0.195119 MAX 0.215991 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.043 MB LDB: ============== END OF LOAD BALANCING =============== 922.695 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 922.7 PRESSURE: 288400 -123.18 -110.323 -226.632 -110.322 -151.823 202.268 -226.633 202.268 281.979 GPRESSURE: 288400 -69.9631 -67.8283 -246.405 -148.46 -147.38 209.728 -49.2031 61.12 290.735 PRESSAVG: 288400 -50.6153 -13.4959 -11.9331 -13.4959 40.229 30.3536 -11.9331 30.3536 -29.5221 GPRESSAVG: 288400 -50.2856 -11.8082 -13.2092 -16.4041 40.4065 32.1064 -12.8401 28.3014 -29.6882 TIMING: 288400 CPU: 910.483, 0.00321775/step Wall: 910.483, 0.00321775/step, 4.21132 hours remaining, 231.554688 MB of memory in use. ENERGY: 288400 3958.5994 20467.0764 14517.9088 249.6701 -203265.1760 2395.5640 0.0000 0.0000 51842.0766 -109834.2807 297.9371 -161676.3573 -109474.2354 298.6478 2.3254 24.4640 760855.1218 -13.3028 -13.1891 PRESSURE: 288600 -80.7535 62.1949 182.804 62.195 129.548 208.36 182.803 208.361 288.607 GPRESSURE: 288600 -32.2587 149.911 136.285 76.8412 179.585 119.746 97.9535 126.811 279.963 PRESSAVG: 288600 -38.9403 -13.1356 92.3442 -13.1357 5.48021 23.2143 92.3441 23.2144 5.48366 GPRESSAVG: 288600 -39.8592 -13.5603 91.8587 -12.2349 5.76993 24.1562 94.2027 21.2097 5.93778 TIMING: 288600 CPU: 911.113, 0.00315149/step Wall: 911.113, 0.00315149/step, 4.12443 hours remaining, 231.554688 MB of memory in use. ENERGY: 288600 3947.5008 20417.0053 14338.0031 250.7938 -203618.0477 2716.7133 0.0000 0.0000 51798.6070 -110149.4243 297.6873 -161948.0313 -109779.9067 297.7038 112.4674 142.4295 762312.3349 -9.3255 -9.3838 PRESSURE: 288800 -213.487 47.0764 -192.157 47.0763 56.3771 10.8002 -192.157 10.7999 308.552 GPRESSURE: 288800 -122.103 148.99 -214.503 115.017 -5.96394 48.0002 -277.051 -41.6995 366.741 PRESSAVG: 288800 -24.9699 -1.97906 35.5574 -1.97908 35.6393 -48.3062 35.5575 -48.3062 -5.30839 GPRESSAVG: 288800 -23.521 -3.05957 37.0086 -1.69364 35.1938 -49.4365 32.7604 -45.0824 -5.85349 TIMING: 288800 CPU: 911.741, 0.00314038/step Wall: 911.741, 0.00314038/step, 4.10971 hours remaining, 231.554688 MB of memory in use. ENERGY: 288800 4021.7320 20455.4792 14450.7302 240.5662 -203763.2881 2630.4270 0.0000 0.0000 51895.4350 -110068.9185 298.2438 -161964.3534 -109707.2694 297.4303 50.4806 79.5579 761988.1475 1.7870 1.9398 PRESSURE: 289000 117.136 -152.663 75.301 -152.663 -103.497 -117.217 75.3011 -117.218 241.144 GPRESSURE: 289000 143.198 -115.284 94.4982 -151.963 -61.5382 -116.708 133.162 -152.74 256.378 PRESSAVG: 289000 -26.6731 19.3513 -1.12131 19.3513 28.7421 2.49516 -1.12133 2.49505 16.6454 GPRESSAVG: 289000 -26.2158 18.7889 -3.34816 19.8549 28.4805 3.95128 1.65876 -0.723217 16.5778 TIMING: 289000 CPU: 912.373, 0.00315798/step Wall: 912.373, 0.00315798/step, 4.13257 hours remaining, 231.554688 MB of memory in use. ENERGY: 289000 3995.1269 20411.1715 14368.8508 248.2201 -203661.3991 2642.1155 0.0000 0.0000 51957.1739 -110038.7404 298.5986 -161995.9143 -109678.4039 297.8797 84.9277 112.6794 762869.4404 6.2381 6.2809 PRESSURE: 289200 -15.4789 -145.042 -138.069 -145.041 100.656 -117.738 -138.069 -117.738 -370.739 GPRESSURE: 289200 27.2313 -98.945 -155.638 -56.6036 19.2147 9.9186 -197.497 -32.7936 -260.504 PRESSAVG: 289200 -15.7675 -32.7637 52.209 -32.7637 -28.6698 8.47848 52.209 8.4785 -10.2417 GPRESSAVG: 289200 -18.2502 -32.1751 52.0305 -32.051 -28.1021 8.71714 51.8233 10.3849 -8.36313 TIMING: 289200 CPU: 913.003, 0.00315164/step Wall: 913.003, 0.00315164/step, 4.12409 hours remaining, 231.554688 MB of memory in use. ENERGY: 289200 3946.0278 20478.3885 14427.2743 230.5764 -203867.8444 2815.1617 0.0000 0.0000 51921.5655 -110048.8501 298.3940 -161970.4156 -109673.8619 297.5373 -95.1872 -71.3527 763107.7075 -18.2263 -18.2385 PRESSURE: 289400 -261.038 -97.4996 173.935 -97.4987 126.817 55.2183 173.935 55.2185 -101.109 GPRESSURE: 289400 -229.149 -58.8518 213.115 -77.5116 206.317 54.4894 136.177 149.069 -125.336 PRESSAVG: 289400 9.59983 39.8575 35.8514 39.8575 19.0146 19.9144 35.8514 19.9144 20.3496 GPRESSAVG: 289400 11.0995 41.3202 37.5255 38.8011 19.2231 19.2925 34.7346 21.0133 18.0081 TIMING: 289400 CPU: 913.636, 0.00316127/step Wall: 913.636, 0.00316127/step, 4.13652 hours remaining, 231.554688 MB of memory in use. ENERGY: 289400 4039.5955 20451.5774 14353.5288 236.8136 -204048.3975 2884.5215 0.0000 0.0000 52029.7281 -110052.6326 299.0156 -162082.3608 -109685.0818 298.2248 -78.4431 -49.3894 760772.5813 16.3213 16.1102 PRESSURE: 289600 -87.6525 -233.477 223.279 -233.477 435.346 -8.34555 223.279 -8.34526 113.202 GPRESSURE: 289600 -43.4746 -300.271 242.722 -135.819 449.593 23.5655 228.236 -7.94996 117.973 PRESSAVG: 289600 11.7988 -14.887 15.1778 -14.8869 22.5272 7.98578 15.1778 7.98578 -13.8348 GPRESSAVG: 289600 12.8835 -16.8321 15.4881 -13.8354 20.4083 7.97383 14.8769 5.98466 -13.56 TIMING: 289600 CPU: 914.265, 0.00314615/step Wall: 914.265, 0.00314615/step, 4.11656 hours remaining, 231.554688 MB of memory in use. ENERGY: 289600 3974.6307 20331.0891 14427.1510 230.9835 -203938.8097 2864.2335 0.0000 0.0000 51747.3664 -110363.3555 297.3928 -162110.7219 -110002.8659 298.1079 153.6317 174.6971 759803.3972 6.8304 6.5773 PRESSURE: 289800 2.76053 23.2285 46.5647 23.2288 -211.202 20.758 46.5655 20.7575 77.7875 GPRESSURE: 289800 68.2234 -18.3678 -33.1407 -78.7645 -302.399 -23.087 -65.5339 34.954 190.578 PRESSAVG: 289800 11.7213 -51.2998 4.87093 -51.2998 -51.2362 28.6331 4.87084 28.633 -2.68451 GPRESSAVG: 289800 9.20534 -49.3721 2.98778 -53.1506 -48.8379 26.3987 6.62683 31.5495 -1.98086 TIMING: 289800 CPU: 914.893, 0.00314183/step Wall: 914.893, 0.00314183/step, 4.11074 hours remaining, 231.554688 MB of memory in use. ENERGY: 289800 3898.6103 20676.2878 14459.0682 240.2564 -204011.2983 2734.4113 0.0000 0.0000 51719.4734 -110283.1909 297.2325 -162002.6643 -109933.5582 297.1277 -43.5512 -14.5325 760473.3856 -14.0665 -13.8711 PRESSURE: 290000 -133.32 -36.6956 -32.4411 -36.6959 -218.9 73.5123 -32.4413 73.5114 -167.348 GPRESSURE: 290000 -59.8246 -60.2389 -10.1722 -60.6412 -134.041 63.3702 -112.53 -87.1427 -232.185 PRESSAVG: 290000 -32.6387 33.5579 2.85992 33.5579 57.1532 19.3794 2.85987 19.3794 -16.5903 GPRESSAVG: 290000 -31.2791 31.7248 3.74457 33.2936 56.7586 20.2389 0.96182 17.7747 -17.6492 TIMING: 290000 CPU: 915.521, 0.00314091/step Wall: 915.521, 0.00314091/step, 4.10936 hours remaining, 231.554688 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: 290000 3913.5804 20456.6369 14428.2043 250.7613 -203832.7063 2529.1556 0.0000 0.0000 52011.1151 -110243.2526 298.9086 -162254.3677 -109872.7230 297.4365 -173.1891 -142.0170 760679.3547 2.6414 2.6101 PRESSURE: 290200 -190.744 -4.78581 -242.695 -4.78516 -234.872 -341.465 -242.695 -341.465 -157.567 GPRESSURE: 290200 -188.769 32.2496 -289.479 -63.0429 -244.747 -401.815 -257.52 -165.644 -86.0025 PRESSAVG: 290200 -3.4712 2.50356 -27.6982 2.50352 -10.6187 30.5794 -27.6982 30.5794 6.63604 GPRESSAVG: 290200 -3.44938 4.19176 -26.5748 1.88189 -12.3626 31.6107 -27.9999 30.0184 7.3736 TIMING: 290200 CPU: 916.15, 0.00314219/step Wall: 916.15, 0.00314219/step, 4.11086 hours remaining, 231.554688 MB of memory in use. ENERGY: 290200 3921.9171 20527.3044 14339.2759 224.3410 -203913.3453 2732.8462 0.0000 0.0000 51831.2042 -110336.4564 297.8746 -162167.6606 -109962.1219 298.0659 -194.3943 -173.1729 760521.2447 -2.4846 -2.8128 PRESSURE: 290400 -57.6959 -38.152 26.6403 -38.1521 -197.002 82.5616 26.6404 82.5619 -353.859 GPRESSURE: 290400 28.8759 -3.27659 3.24236 -2.21939 -227.769 103.739 17.8998 23.232 -317.417 PRESSAVG: 290400 -7.15493 -34.2857 -12.2289 -34.2857 14.3101 39.1198 -12.2289 39.1197 -3.83292 GPRESSAVG: 290400 -7.6313 -33.1739 -14.2406 -31.616 14.9668 38.0073 -10.2779 39.6648 -4.29555 TIMING: 290400 CPU: 916.779, 0.00314788/step Wall: 916.779, 0.00314788/step, 4.11813 hours remaining, 231.554688 MB of memory in use. ENERGY: 290400 3946.4190 20464.9800 14367.2010 250.4431 -204118.4718 2901.2319 0.0000 0.0000 51761.5372 -110426.6597 297.4743 -162188.1968 -110081.9145 297.3908 -202.8524 -172.1032 762111.8227 1.1074 1.0133 PRESSURE: 290600 308.985 -40 -155.129 -40.0003 77.46 -142.331 -155.13 -142.331 -160.263 GPRESSURE: 290600 349.527 -5.69319 -117.432 -53.4326 121.482 -110.365 -66.4894 -148.038 -155.346 PRESSAVG: 290600 10.9958 21.1803 38.7757 21.1802 -24.7967 -13.5963 38.7757 -13.5963 6.26515 GPRESSAVG: 290600 10.8459 19.8621 39.8377 20.9931 -24.9681 -14.3554 38.2474 -14.2917 6.36003 TIMING: 290600 CPU: 917.411, 0.00315697/step Wall: 917.411, 0.00315697/step, 4.12985 hours remaining, 231.554688 MB of memory in use. ENERGY: 290600 4002.4823 20470.4220 14494.5419 243.5719 -204029.2652 2791.6656 0.0000 0.0000 51595.5113 -110431.0702 296.5201 -162026.5815 -110075.5224 297.4663 75.3940 105.2212 760827.8337 -2.5119 -2.5874 PRESSURE: 290800 231.467 109.871 68.7688 109.871 -53.8293 -0.700057 68.7683 -0.700395 -170.36 GPRESSURE: 290800 202.481 15.7528 173.591 16.6454 -41.8866 -27.6628 114.866 -25.6947 -79.5676 PRESSAVG: 290800 23.8263 15.7735 19.3693 15.7734 -4.98279 6.6604 19.3692 6.66046 -13.8657 GPRESSAVG: 290800 23.1128 14.6737 19.0683 14.166 -4.81617 9.02457 20.1832 7.05993 -13.1583 TIMING: 290800 CPU: 918.038, 0.00313449/step Wall: 918.038, 0.00313449/step, 4.10027 hours remaining, 231.554688 MB of memory in use. ENERGY: 290800 3895.1614 20480.9186 14451.0523 247.0369 -204312.0625 2900.2082 0.0000 0.0000 52025.3461 -110312.3391 298.9904 -162337.6852 -109941.1611 297.1845 2.4259 27.0089 761454.9244 1.6592 1.7128 PRESSURE: 291000 37.3469 -83.4371 -200.624 -83.4373 155.338 63.0844 -200.624 63.0836 -411.886 GPRESSURE: 291000 36.3585 -50.8118 -238.501 -117.491 260.007 -91.3986 -77.6272 -20.8633 -442.529 PRESSAVG: 291000 -10.6144 -13.3608 -21.8163 -13.3609 35.0567 14.3307 -21.8163 14.3307 12.1682 GPRESSAVG: 291000 -10.1645 -11.9704 -22.2109 -12.1128 35.7894 14.4715 -21.9205 9.87845 10.9674 TIMING: 291000 CPU: 918.665, 0.00313725/step Wall: 918.665, 0.00313725/step, 4.10369 hours remaining, 231.554688 MB of memory in use. ENERGY: 291000 3971.0173 20526.7775 14400.8332 253.6056 -204356.5946 2896.5642 0.0000 0.0000 51890.2495 -110417.5474 298.2140 -162307.7969 -110066.4970 297.5371 -73.0670 -48.7214 760601.2919 12.2035 12.1974 PRESSURE: 291200 113.363 123.68 -76.4768 123.679 -230.86 338.461 -76.4777 338.461 187.113 GPRESSURE: 291200 246.733 93.3123 -125.697 153.18 -274.626 403.331 28.5746 305.404 182.199 PRESSAVG: 291200 -18.7845 23.4642 -54.5569 23.4642 15.3653 8.47363 -54.5569 8.47361 5.70222 GPRESSAVG: 291200 -19.0109 22.7379 -52.3 24.8699 15.6486 10.563 -56.1252 9.96948 5.91456 TIMING: 291200 CPU: 919.3, 0.00317628/step Wall: 919.3, 0.00317628/step, 4.15457 hours remaining, 231.554688 MB of memory in use. ENERGY: 291200 3964.6880 20395.9099 14452.2221 248.5632 -203926.7456 2653.6091 0.0000 0.0000 51980.9637 -110230.7897 298.7353 -162211.7534 -109854.4327 297.6276 23.2055 51.4353 761951.2380 0.7610 0.8508 PRESSURE: 291400 -124.34 -139.061 5.63201 -139.06 119.487 -177.199 5.63093 -177.2 329.533 GPRESSURE: 291400 -120.534 -161.168 14.2843 -77.8128 96.4643 -207.389 -7.32364 -119.326 433.412 PRESSAVG: 291400 51.0028 -5.56343 49.8766 -5.56337 11.29 -5.86543 49.8766 -5.86547 36.02 GPRESSAVG: 291400 51.4911 -5.54549 48.6468 -7.76256 11.4176 -8.20305 50.2473 -2.67978 36.1772 TIMING: 291400 CPU: 919.934, 0.00316995/step Wall: 919.934, 0.00316995/step, 4.14611 hours remaining, 231.554688 MB of memory in use. ENERGY: 291400 3977.9364 20672.2397 14427.5167 241.1973 -204012.6980 2883.1268 0.0000 0.0000 51922.4539 -109888.2273 298.3991 -161810.6812 -109530.7189 298.2500 108.2266 136.4473 761008.0750 32.7710 33.0286 PRESSURE: 291600 88.9827 -5.94831 -113.894 -5.94764 -263.764 -56.9353 -113.893 -56.9356 -65.8636 GPRESSURE: 291600 82.6364 113.861 -71.146 -29.8342 -213.252 -85.5052 -77.2383 -62.0419 -41.9917 PRESSAVG: 291600 45.2449 -16.1463 30.3637 -16.1464 -33.5101 -30.488 30.3637 -30.4881 -15.6896 GPRESSAVG: 291600 44.3752 -15.2649 31.8005 -15.7814 -33.0867 -30.8179 31.0964 -29.5002 -15.3955 TIMING: 291600 CPU: 920.567, 0.00316275/step Wall: 920.567, 0.00316275/step, 4.13653 hours remaining, 231.554688 MB of memory in use. ENERGY: 291600 3959.6061 20607.3904 14399.4938 259.3908 -203756.4547 2683.8265 0.0000 0.0000 51811.2019 -110035.5450 297.7597 -161846.7469 -109675.5682 298.7404 -80.2149 -57.5358 761400.8885 -1.3183 -1.3690 PRESSURE: 291800 -194.794 381.364 67.1765 381.363 88.0539 28.1345 67.1762 28.1348 -272.706 GPRESSURE: 291800 -59.1458 345.32 -12.1867 328.104 33.0369 93.9325 37.5081 -17.5495 -260.096 PRESSAVG: 291800 71.5494 43.7927 27.0085 43.7927 -65.325 53.7673 27.0086 53.7672 -0.0246351 GPRESSAVG: 291800 72.1259 41.0725 26.6293 45.3751 -65.2737 54.109 28.7437 51.8571 -0.348895 TIMING: 291800 CPU: 921.196, 0.00314494/step Wall: 921.196, 0.00314494/step, 4.11305 hours remaining, 231.554688 MB of memory in use. ENERGY: 291800 4101.5039 20503.5270 14410.3163 266.1504 -203919.4746 2619.0897 0.0000 0.0000 52062.3361 -109956.5512 299.2030 -162018.8873 -109597.3476 298.5310 -126.4820 -95.4016 760923.1964 2.0666 2.1678 PRESSURE: 292000 -196.151 26.1428 37.7683 26.1423 176.948 66.7721 37.7686 66.7725 -14.4693 GPRESSURE: 292000 -134.209 -16.9432 107.269 -33.5076 160.743 41.2882 -21.0458 3.25945 30.7999 PRESSAVG: 292000 20.5454 33.8646 14.87 33.8647 -9.92575 18.1512 14.87 18.1513 14.3532 GPRESSAVG: 292000 20.8016 32.8338 14.6982 34.2579 -10.7477 19.6104 12.9795 17.8307 14.6702 TIMING: 292000 CPU: 921.83, 0.00317229/step Wall: 921.83, 0.00317229/step, 4.14865 hours remaining, 231.554688 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: 292000 3975.0763 20674.9947 14453.1906 254.0984 -203894.3721 2643.3287 0.0000 0.0000 52103.4963 -109790.1870 299.4395 -161893.6833 -109425.5163 299.0486 -11.2240 19.1112 761736.8553 8.3243 8.2414 PRESSURE: 292200 183.337 102.181 -72.7505 102.18 -99.2536 -30.4835 -72.7503 -30.4833 -254.832 GPRESSURE: 292200 207.433 7.37716 40.1706 177.523 -74.5582 -33.5693 -32.0348 -55.4264 -217.758 PRESSAVG: 292200 30.1442 11.9489 -5.00521 11.9489 -57.3286 23.7404 -5.00524 23.7404 -29.1676 GPRESSAVG: 292200 29.3137 14.6361 -4.64129 10.19 -56.8191 23.849 -3.62018 24.303 -29.3224 TIMING: 292200 CPU: 922.461, 0.00315198/step Wall: 922.461, 0.00315198/step, 4.12191 hours remaining, 231.554688 MB of memory in use. ENERGY: 292200 3968.0408 20465.5608 14442.0724 229.6265 -203383.3593 2457.9622 0.0000 0.0000 52022.1563 -109797.9403 298.9720 -161820.0966 -109432.1400 298.6591 -56.9162 -28.2945 761524.4789 -18.7840 -18.9426 LDB: ============= START OF LOAD BALANCING ============== 934.993 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 934.993 LDB: =============== DONE WITH MIGRATION ================ 934.995 LDB: ============= START OF LOAD BALANCING ============== 935.312 LDB: Largest compute 7060 load 0.031775 is 16.3% of average load 0.195057 LDB: Average compute 0.004385 is 2.2% of average load 0.195057 LDB: TIME 935.315 LOAD: AVG 0.195057 MAX 0.216079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.555 MB LDB: TIME 935.316 LOAD: AVG 0.195057 MAX 0.216079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.555 MB LDB: TIME 935.316 LOAD: AVG 0.195057 MAX 0.216079 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.555 MB LDB: ============== END OF LOAD BALANCING =============== 935.318 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 935.323 PRESSURE: 292400 23.5117 148.271 -211.83 148.271 20.634 13.3819 -211.831 13.381 404.126 GPRESSURE: 292400 127.43 184.461 -148.054 143.558 46.5125 -8.16959 -166.44 -19.8781 352.349 PRESSAVG: 292400 34.0521 -40.1536 19.2228 -40.1536 13.8463 18.6018 19.2228 18.6018 2.99269 GPRESSAVG: 292400 35.3498 -42.1319 17.134 -38.5622 12.6975 15.9297 19.4865 21.1766 3.52946 TIMING: 292400 CPU: 923.106, 0.00322492/step Wall: 923.106, 0.00322492/step, 4.21712 hours remaining, 232.769531 MB of memory in use. ENERGY: 292400 3930.6539 20400.0281 14469.0957 253.9823 -204004.5636 3075.0461 0.0000 0.0000 52108.4340 -109767.3235 299.4679 -161875.7575 -109401.7255 298.9478 149.4240 175.4307 762521.6780 16.9637 17.1923 PRESSURE: 292600 -102.32 7.57076 113.304 7.57153 -8.82076 -378.045 113.303 -378.047 -30.8666 GPRESSURE: 292600 -75.1593 80.5453 60.1287 -12.2617 36.092 -389.68 7.62872 -279.092 -11.9155 PRESSAVG: 292600 24.6811 0.351675 10.1804 0.351704 -37.4091 12.0752 10.1804 12.0751 2.62769 GPRESSAVG: 292600 23.9062 0.801741 11.9501 0.417235 -37.1241 15.153 9.92623 8.64121 2.69244 TIMING: 292600 CPU: 923.741, 0.00317675/step Wall: 923.741, 0.00317675/step, 4.15395 hours remaining, 232.769531 MB of memory in use. ENERGY: 292600 3994.2830 20516.1411 14493.7586 235.3566 -203675.5851 2749.7611 0.0000 0.0000 51988.5123 -109697.7724 298.7787 -161686.2847 -109342.8440 298.9012 -47.3357 -16.9943 760646.7872 -3.3667 -3.5085 PRESSURE: 292800 64.2425 -18.0134 311.771 -18.0135 -212.332 -118.607 311.771 -118.607 -128.331 GPRESSURE: 292800 16.0589 -36.2669 237.436 40.5034 -96.275 -167.393 157.916 -114.826 -115.408 PRESSAVG: 292800 37.2462 -15.4032 46.5037 -15.4032 -79.9308 -46.7874 46.5037 -46.7874 2.23862 GPRESSAVG: 292800 37.9305 -14.861 43.5627 -15.4717 -80.6504 -48.5953 45.686 -44.6527 3.0595 TIMING: 292800 CPU: 924.373, 0.00316187/step Wall: 924.373, 0.00316187/step, 4.13433 hours remaining, 232.769531 MB of memory in use. ENERGY: 292800 3900.5410 20649.0508 14428.0883 230.5536 -203775.5847 2913.9984 0.0000 0.0000 52177.0906 -109476.2619 299.8625 -161653.3526 -109116.1609 299.8372 -92.1402 -65.2079 761621.2989 -13.4820 -13.2201 PRESSURE: 293000 180.12 -59.0525 55.2984 -59.0524 -43.688 15.7095 55.2986 15.7093 -322.43 GPRESSURE: 293000 219.477 -108.208 68.4415 21.1512 -29.2226 -3.46769 53.1856 46.3352 -320.354 PRESSAVG: 293000 40.2006 -11.5868 -36.299 -11.5867 -39.2729 -11.959 -36.2989 -11.9589 -17.3245 GPRESSAVG: 293000 39.1445 -10.4943 -34.5096 -13.6663 -38.5888 -11.2765 -36.6188 -14.798 -16.8354 TIMING: 293000 CPU: 924.998, 0.00312363/step Wall: 924.998, 0.00312363/step, 4.08415 hours remaining, 232.769531 MB of memory in use. ENERGY: 293000 3978.8573 20527.2664 14449.8151 242.2446 -203240.5369 2534.6096 0.0000 0.0000 51989.9838 -109517.7601 298.7872 -161507.7439 -109149.4154 299.3987 -61.9993 -43.3666 762338.8289 -5.4656 -5.4266 PRESSURE: 293200 -423.114 87.0046 -43.4774 87.004 -192.088 116.343 -43.4774 116.342 -417.89 GPRESSURE: 293200 -339.212 1.68026 -6.78638 132.818 -218.939 87.4798 -18.1735 79.0702 -390.004 PRESSAVG: 293200 -13.2228 -13.07 -4.10183 -13.0701 -6.86778 53.988 -4.10181 53.9879 -13.1429 GPRESSAVG: 293200 -12.1727 -14.7505 -3.34543 -11.1651 -7.28038 53.9874 -2.42747 55.6323 -13.1667 TIMING: 293200 CPU: 925.629, 0.00315342/step Wall: 925.629, 0.00315342/step, 4.12292 hours remaining, 232.769531 MB of memory in use. ENERGY: 293200 4049.0549 20511.5518 14382.2968 249.7478 -203175.7022 2471.2343 0.0000 0.0000 51884.4769 -109627.3397 298.1808 -161511.8166 -109269.7184 298.8787 -344.3638 -316.0518 763206.7746 -11.0779 -10.8733 PRESSURE: 293400 274.392 71.8163 33.5813 71.8168 279.407 118.933 33.5812 118.934 34.902 GPRESSURE: 293400 377.995 20.276 81.8864 81.8658 202.422 21.2151 -7.14083 231.987 81.8337 PRESSAVG: 293400 20.3751 -7.73934 -4.62639 -7.73936 -49.5386 -15.7174 -4.62634 -15.7175 -10.2484 GPRESSAVG: 293400 20.5032 -4.21084 -5.53168 -8.66603 -48.1104 -16.5662 -5.25606 -17.5587 -12.033 TIMING: 293400 CPU: 926.262, 0.00316723/step Wall: 926.262, 0.00316723/step, 4.1408 hours remaining, 232.769531 MB of memory in use. ENERGY: 293400 4083.1644 20465.7827 14467.0291 252.1859 -203827.7267 3000.9388 0.0000 0.0000 51867.8148 -109690.8112 298.0850 -161558.6260 -109323.7394 298.9887 196.2336 220.7504 761166.0823 -13.1373 -13.2134 PRESSURE: 293600 -38.5476 -270.81 347.829 -270.81 6.75807 77.7358 347.83 77.7358 146.976 GPRESSURE: 293600 42.7518 -273.17 284.449 -297.737 -19.9017 44.2397 277.063 83.7514 181.843 PRESSAVG: 293600 1.59126 -10.8781 24.4242 -10.8781 24.9265 33.5255 24.4242 33.5255 -6.56992 GPRESSAVG: 293600 1.17888 -11.895 24.6894 -11.9813 23.9474 35.4089 25.1432 33.6063 -5.69788 TIMING: 293600 CPU: 926.895, 0.00316125/step Wall: 926.895, 0.00316125/step, 4.13281 hours remaining, 232.769531 MB of memory in use. ENERGY: 293600 3944.3251 20440.5321 14448.5890 255.8568 -203420.3122 2674.9776 0.0000 0.0000 52013.5768 -109642.4548 298.9227 -161656.0316 -109282.5936 299.0059 38.3956 68.2309 761168.5465 6.6493 6.4761 PRESSURE: 293800 220.703 -128.217 -15.4064 -128.217 -29.4776 37.9206 -15.4064 37.9204 -68.2918 GPRESSURE: 293800 215.351 -14.029 46.1329 -14.0289 64.3819 -5.67932 -124.784 -52.1635 -67.1312 PRESSAVG: 293800 -18.8316 1.30763 -42.0974 1.30767 27.5421 40.5416 -42.0973 40.5417 -9.17856 GPRESSAVG: 293800 -19.6264 2.46143 -42.4117 -0.212392 28.6145 40.2146 -43.7875 41.307 -9.92718 TIMING: 293800 CPU: 927.519, 0.00312459/step Wall: 927.519, 0.00312459/step, 4.08471 hours remaining, 232.769531 MB of memory in use. ENERGY: 293800 4039.3248 20526.6674 14373.9468 260.1612 -203338.8105 2815.0933 0.0000 0.0000 51980.6008 -109343.0162 298.7332 -161323.6170 -108987.8438 299.6330 40.9779 70.8671 761379.9232 -0.1560 -0.3130 PRESSURE: 294000 -346.963 228.907 -119.66 228.906 -295.575 -46.2367 -119.661 -46.2365 -13.1774 GPRESSURE: 294000 -308.807 170.653 -118.827 181.992 -225.471 25.7626 -192.812 22.3695 -41.4936 PRESSAVG: 294000 16.3203 51.5647 -26.0382 51.5647 -24.1026 39.7249 -26.0383 39.7249 9.17902 GPRESSAVG: 294000 16.7323 49.9052 -24.4602 53.4367 -24.4747 38.6916 -26.3599 40.3614 9.57427 TIMING: 294000 CPU: 928.146, 0.00313255/step Wall: 928.146, 0.00313255/step, 4.09494 hours remaining, 232.769531 MB of memory 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 4010.5650 20415.9282 14448.6943 248.9443 -202952.2606 2316.9369 0.0000 0.0000 52021.5368 -109489.6553 298.9685 -161511.1920 -109121.8051 298.9961 -218.5719 -191.9238 761925.7892 0.4656 0.6106 PRESSURE: 294200 -87.629 -7.91557 98.8027 -7.91425 -201.519 90.7349 98.8025 90.7363 -103.657 GPRESSURE: 294200 -38.8554 -27.7405 29.8051 69.9304 -166.098 71.6226 126.596 78.173 -98.5281 PRESSAVG: 294200 53.7846 9.89289 -0.918703 9.89291 -57.9098 -2.82316 -0.918731 -2.82316 5.63063 GPRESSAVG: 294200 53.5304 9.34172 -2.64017 9.72965 -57.9848 -3.30113 0.695439 -0.637012 5.89902 TIMING: 294200 CPU: 928.777, 0.00315697/step Wall: 928.777, 0.00315697/step, 4.12668 hours remaining, 232.769531 MB of memory in use. ENERGY: 294200 3937.8117 20561.3418 14400.5222 251.3041 -202867.4459 2399.0705 0.0000 0.0000 51953.5933 -109363.8023 298.5780 -161317.3957 -108997.1790 299.3252 -130.9352 -101.1604 761766.0160 0.5018 0.4815 PRESSURE: 294400 289.83 139.837 -14.0004 139.837 413.898 -129.996 -14.0003 -129.996 531.051 GPRESSURE: 294400 224.584 -40.6531 67.1809 59.841 454.431 -146.607 111.689 -135.602 617.409 PRESSAVG: 294400 -14.7926 -5.15557 -42.3965 -5.15555 -4.84094 1.40233 -42.3965 1.40232 -6.31329 GPRESSAVG: 294400 -15.3861 -2.96602 -41.8802 -3.72803 -4.42899 1.52288 -41.8537 -0.794285 -6.23049 TIMING: 294400 CPU: 929.408, 0.00315245/step Wall: 929.408, 0.00315245/step, 4.1206 hours remaining, 232.769531 MB of memory in use. ENERGY: 294400 3993.0973 20650.7501 14397.2348 243.9681 -203106.4570 2544.8094 0.0000 0.0000 51804.0068 -109472.5906 297.7183 -161276.5974 -109118.3594 298.8911 411.5928 432.1411 761250.4071 -8.6489 -8.6819 PRESSURE: 294600 401.611 124.818 -150.259 124.818 264.772 49.0879 -150.258 49.0888 398.187 GPRESSURE: 294600 403.189 85.188 -208.57 66.8363 324.32 96.1562 -160.947 17.8705 441.698 PRESSAVG: 294600 -16.3559 -13.4697 -55.7084 -13.4697 14.234 36.3751 -55.7085 36.3751 17.9566 GPRESSAVG: 294600 -15.2808 -15.7414 -55.3432 -14.9335 13.3475 38.5796 -57.0804 34.6031 18.0117 TIMING: 294600 CPU: 930.04, 0.00315855/step Wall: 930.04, 0.00315855/step, 4.1284 hours remaining, 232.769531 MB of memory in use. ENERGY: 294600 3957.7485 20365.0547 14454.4219 239.8844 -203208.8463 2658.6275 0.0000 0.0000 51950.3806 -109582.7286 298.5596 -161533.1092 -109216.9994 298.6939 354.8568 389.7356 761026.8596 5.2782 5.3595 PRESSURE: 294800 -257.317 -49.0251 -8.04698 -49.0263 -101.643 -9.95479 -8.04778 -9.95461 -353.042 GPRESSURE: 294800 -200.272 -76.5603 12.3209 61.3833 -44.9804 -3.5587 -26.4349 36.2077 -399.604 PRESSAVG: 294800 -15.6382 -11.2032 15.6435 -11.2033 39.0543 35.1939 15.6435 35.1939 -10.4507 GPRESSAVG: 294800 -15.6116 -11.8883 16.3099 -10.79 40.135 32.1113 15.4496 39.5762 -11.4934 TIMING: 294800 CPU: 930.675, 0.00317769/step Wall: 930.675, 0.00317769/step, 4.15324 hours remaining, 232.769531 MB of memory in use. ENERGY: 294800 3921.6387 20371.4025 14404.8871 242.4342 -202894.0054 2465.0468 0.0000 0.0000 52056.7632 -109431.8328 299.1709 -161488.5960 -109066.2439 298.5446 -237.3340 -214.9521 763934.0500 4.3218 4.3434 PRESSURE: 295000 3.01977 99.7441 -72.2017 99.7448 -50.6531 -208.105 -72.202 -208.105 -225.246 GPRESSURE: 295000 76.1038 98.4993 67.5981 -28.5649 69.5221 -184.8 14.8368 -224.766 -343.506 PRESSAVG: 295000 -45.9539 -2.97622 -36.5069 -2.97623 -6.97061 -24.3074 -36.5068 -24.3075 12.0229 GPRESSAVG: 295000 -45.9102 -0.614988 -36.6741 -2.92843 -7.05119 -22.6086 -35.6353 -27.9964 12.1836 TIMING: 295000 CPU: 931.312, 0.0031822/step Wall: 931.312, 0.0031822/step, 4.15896 hours remaining, 232.769531 MB of memory in use. ENERGY: 295000 4051.5269 20356.2361 14442.7297 264.8890 -203224.9923 2762.3332 0.0000 0.0000 51884.8089 -109462.4684 298.1827 -161347.2773 -109110.9993 298.2899 -90.9597 -65.9600 763379.6059 -13.6339 -13.5926 PRESSURE: 295200 -168.222 153.404 49.3645 153.404 -153.063 -21.8546 49.3657 -21.8552 224.171 GPRESSURE: 295200 -87.3714 159.341 39.6529 84.0531 -170.157 67.2868 112.7 -51.6871 257.744 PRESSAVG: 295200 10.5869 33.2864 23.3706 33.2863 -42.7216 -50.6863 23.3706 -50.6862 1.60625 GPRESSAVG: 295200 11.0668 33.1511 22.9022 33.1988 -43.2979 -51.5184 23.5084 -50.3665 1.75133 TIMING: 295200 CPU: 931.943, 0.00315551/step Wall: 931.943, 0.00315551/step, 4.1239 hours remaining, 232.769531 MB of memory in use. ENERGY: 295200 3941.2867 20510.0168 14377.9295 217.1346 -203120.7390 2529.1626 0.0000 0.0000 52139.4118 -109405.7970 299.6459 -161545.2088 -109043.5730 298.4284 -32.3714 0.0720 763560.7175 -10.1761 -10.1599 PRESSURE: 295400 -123.381 -66.676 -198.124 -66.676 84.8304 196.422 -198.124 196.422 -54.9502 GPRESSURE: 295400 -89.0053 -210.058 -242.539 32.0822 195.168 182.924 -78.4503 261.712 -94.6659 PRESSAVG: 295400 -60.918 -21.3585 -11.9777 -21.3585 40.8859 -7.71071 -11.9777 -7.71075 13.1863 GPRESSAVG: 295400 -61.004 -21.5863 -12.9172 -21.9691 41.2211 -7.18357 -12.4748 -8.65035 12.4785 TIMING: 295400 CPU: 932.571, 0.00314171/step Wall: 932.571, 0.00314171/step, 4.10569 hours remaining, 232.769531 MB of memory in use. ENERGY: 295400 3961.4008 20446.7712 14394.2652 253.8596 -203334.4708 2810.6697 0.0000 0.0000 52026.6325 -109440.8718 298.9978 -161467.5043 -109080.8696 299.0816 -31.1671 3.8322 762812.6716 -2.2819 -2.4348 PRESSURE: 295600 -347.207 -92.7587 28.8867 -92.7591 -199.706 154.631 28.887 154.631 -460.544 GPRESSURE: 295600 -345.113 18.9823 4.84686 -69.0638 -203.49 106.222 103.933 165.445 -371.032 PRESSAVG: 295600 -80.1934 24.0094 5.53666 24.0094 93.0575 23.0732 5.53666 23.0732 18.8494 GPRESSAVG: 295600 -81.5959 23.8441 5.24388 24.7083 92.6546 22.3536 5.76233 24.2778 20.5175 TIMING: 295600 CPU: 933.196, 0.00312585/step Wall: 933.196, 0.00312585/step, 4.08479 hours remaining, 232.769531 MB of memory in use. ENERGY: 295600 4007.7679 20581.3668 14340.4540 258.8833 -203477.7173 2821.5089 0.0000 0.0000 51961.7189 -109506.0175 298.6247 -161467.7364 -109146.4596 299.1258 -335.8187 -306.5448 762963.6678 10.5712 10.5254 PRESSURE: 295800 -370.995 -73.9414 -78.8327 -73.9407 -138.452 -92.4918 -78.8328 -92.4925 -112.775 GPRESSURE: 295800 -228.449 -62.6058 45.8034 -111.863 -116.773 -170.308 -233.86 95.5028 -214.63 PRESSAVG: 295800 -48.4463 46.0949 -68.329 46.0949 25.4004 49.4682 -68.329 49.4681 3.27261 GPRESSAVG: 295800 -47.2686 46.4691 -66.6869 45.0403 24.6961 49.7962 -70.1768 50.7668 2.60337 TIMING: 295800 CPU: 933.824, 0.00313797/step Wall: 933.824, 0.00313797/step, 4.10045 hours remaining, 232.769531 MB of memory in use. ENERGY: 295800 4011.6499 20553.0508 14435.4473 252.4658 -203142.2917 2334.2064 0.0000 0.0000 52103.2700 -109452.2016 299.4382 -161555.4716 -109086.6427 299.3115 -207.4071 -186.6172 761240.3621 -6.5911 -6.6564 PRESSURE: 296000 218.892 3.65833 -89.067 3.65738 118.321 38.9386 -89.0665 38.9383 81.3341 GPRESSURE: 296000 292.172 -14.7467 21.4863 -2.9824 170.04 70.2399 -80.1848 -4.21285 30.7868 PRESSAVG: 296000 -35.2177 12.9134 -44.766 12.9134 32.1906 68.3688 -44.766 68.3689 24.4267 GPRESSAVG: 296000 -34.5134 12.1815 -46.2014 12.7212 31.2868 66.8195 -43.5401 67.5173 24.3829 TIMING: 296000 CPU: 934.455, 0.00315546/step Wall: 934.455, 0.00315546/step, 4.12313 hours remaining, 232.769531 MB of memory 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 3946.0587 20696.5037 14415.7537 251.4447 -203421.8989 2807.8773 0.0000 0.0000 52073.8692 -109230.3915 299.2692 -161304.2607 -108877.8089 299.8400 139.5156 164.3328 762816.9542 7.1332 7.0521 PRESSURE: 296200 -10.2647 -57.9718 129.466 -57.972 37.8444 43.4369 129.465 43.4375 209.697 GPRESSURE: 296200 30.4322 -46.1949 85.1156 -55.2572 45.1995 63.5452 19.2615 96.4052 223.09 PRESSAVG: 296200 5.71053 41.1478 20.5211 41.1477 -0.237443 43.9333 20.5211 43.9331 16.9079 GPRESSAVG: 296200 5.00263 41.9959 19.5055 40.1181 0.69737 45.8867 22.196 41.7987 17.2203 TIMING: 296200 CPU: 935.085, 0.003151/step Wall: 935.085, 0.003151/step, 4.11713 hours remaining, 232.769531 MB of memory in use. ENERGY: 296200 3884.1472 20611.3501 14390.3614 242.4917 -203680.0872 2920.3448 0.0000 0.0000 52171.4107 -109459.9813 299.8298 -161631.3920 -109095.1961 298.7528 79.0921 99.5740 760796.8356 7.4603 7.6401 LDB: ============= START OF LOAD BALANCING ============== 947.617 LDB: ============== END OF LOAD BALANCING =============== 947.617 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 947.619 LDB: ============= START OF LOAD BALANCING ============== 947.934 LDB: Largest compute 7060 load 0.031666 is 16.2% of average load 0.195023 LDB: Average compute 0.004398 is 2.3% of average load 0.195023 LDB: TIME 947.937 LOAD: AVG 0.195023 MAX 0.217402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.125 MB LDB: TIME 947.938 LOAD: AVG 0.195023 MAX 0.217402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.125 MB LDB: TIME 947.938 LOAD: AVG 0.195023 MAX 0.217402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.125 MB LDB: ============== END OF LOAD BALANCING =============== 947.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 947.944 PRESSURE: 296400 63.1426 221.407 -94.9115 221.408 -101.474 -14.8178 -94.9117 -14.8178 -205.193 GPRESSURE: 296400 52.4376 213.709 -142.056 246.703 -36.188 -35.2618 -21.0118 75.2069 -184.011 PRESSAVG: 296400 -3.67636 -5.15606 -17.4169 -5.15603 -11.7925 49.119 -17.4169 49.119 0.363505 GPRESSAVG: 296400 -2.67081 -4.33965 -16.3302 -3.13214 -12.4919 49.1321 -18.0478 50.9178 -0.0310845 TIMING: 296400 CPU: 935.728, 0.00321306/step Wall: 935.728, 0.00321306/step, 4.19804 hours remaining, 231.746094 MB of memory in use. ENERGY: 296400 3906.2230 20572.2168 14363.0558 246.0829 -202939.1268 2245.0450 0.0000 0.0000 52110.4596 -109496.0437 299.4795 -161606.5032 -109129.2423 298.5441 -81.1748 -55.9205 761709.0590 -5.0351 -5.0646 PRESSURE: 296600 391.822 -29.1236 285.555 -29.1245 1.8756 183.971 285.555 183.972 94.3232 GPRESSURE: 296600 441.141 -159.344 253.342 27.8716 18.4994 177.619 241.768 177.384 103.497 PRESSAVG: 296600 29.6218 8.46501 9.8568 8.46501 20.0634 46.9534 9.85674 46.9533 -17.6565 GPRESSAVG: 296600 27.635 7.23961 9.24093 9.44591 21.3284 44.6995 9.5893 47.7425 -17.4869 TIMING: 296600 CPU: 936.355, 0.00313771/step Wall: 936.355, 0.00313771/step, 4.09942 hours remaining, 231.757812 MB of memory in use. ENERGY: 296600 4013.2518 20673.1611 14380.7646 251.8955 -203207.9008 2756.6878 0.0000 0.0000 51767.1327 -109365.0074 297.5064 -161132.1401 -109011.1353 299.1374 162.6736 187.7122 761395.0812 10.6762 10.4922 PRESSURE: 296800 -372.636 158.651 -222.273 158.652 -96.888 -167.62 -222.272 -167.62 -64.635 GPRESSURE: 296800 -348.423 110.5 -297.355 112.184 -68.9944 -38.6458 -145.307 -174.898 -15.7401 PRESSAVG: 296800 -1.71253 -36.1972 -5.3858 -36.1971 3.10832 35.9288 -5.38584 35.9289 12.7492 GPRESSAVG: 296800 -1.97729 -37.282 -5.74296 -35.7925 3.48667 35.3967 -4.26196 36.4607 13.6271 TIMING: 296800 CPU: 936.986, 0.00315431/step Wall: 936.986, 0.00315431/step, 4.12092 hours remaining, 231.757812 MB of memory in use. ENERGY: 296800 4027.0673 20641.3705 14499.1160 242.6774 -203373.6689 2651.4529 0.0000 0.0000 51878.8170 -109433.1678 298.1483 -161311.9848 -109079.9099 299.0240 -178.0532 -144.3860 760992.1043 4.7150 5.0455 PRESSURE: 297000 166.362 -95.4977 -35.3066 -95.4976 -280.089 15.0639 -35.3064 15.0624 -166.336 GPRESSURE: 297000 156.618 -21.0439 66.6563 0.387898 -274.303 -45.7173 -131.778 -91.4918 -93.2986 PRESSAVG: 297000 17.5575 -57.365 -18.298 -57.3651 25.0555 -33.9168 -18.298 -33.9168 3.68611 GPRESSAVG: 297000 18.6782 -55.8759 -17.6144 -58.5194 24.3602 -32.2812 -17.2321 -36.1903 3.56518 TIMING: 297000 CPU: 937.617, 0.00315642/step Wall: 937.617, 0.00315642/step, 4.12351 hours remaining, 231.757812 MB of memory in use. ENERGY: 297000 3938.0006 20395.7436 14430.3944 243.4634 -202885.6189 2380.9565 0.0000 0.0000 52162.6285 -109334.4319 299.7793 -161497.0604 -108958.1996 299.0534 -93.3542 -70.3278 762150.9003 15.4330 15.5345 PRESSURE: 297200 -8.04975 -2.73695 -12.1224 -2.73705 -278.408 -40.3497 -12.1218 -40.3501 -157.572 GPRESSURE: 297200 24.3289 -87.5451 56.0742 -33.1887 -296.654 -30.0962 -16.4995 -164.826 -91.1722 PRESSAVG: 297200 10.3877 -20.1587 7.43668 -20.1587 0.551724 0.781348 7.43671 0.781331 27.58 GPRESSAVG: 297200 10.1676 -20.2152 9.43605 -19.9732 0.959523 -0.567431 4.82563 2.11724 27.5729 TIMING: 297200 CPU: 938.244, 0.00313121/step Wall: 938.244, 0.00313121/step, 4.0904 hours remaining, 231.757812 MB of memory in use. ENERGY: 297200 3999.7770 20748.2723 14369.8170 224.9667 -203370.1115 2576.7401 0.0000 0.0000 52075.3460 -109375.1925 299.2777 -161450.5385 -109012.8401 299.6584 -148.0098 -121.1658 761330.9868 12.8398 12.9000 PRESSURE: 297400 -247.122 146.74 97.328 146.741 294.75 -188.92 97.3273 -188.92 152.291 GPRESSURE: 297400 -78.3388 124.708 150.103 120.152 168.699 -237.373 93.8947 -243.326 210.145 PRESSAVG: 297400 36.8662 -30.3007 -16.7285 -30.3007 -41.0804 -15.1599 -16.7285 -15.1598 -6.3902 GPRESSAVG: 297400 37.7053 -31.7152 -18.1536 -30.0025 -41.9037 -13.8568 -14.4909 -16.7074 -6.25888 TIMING: 297400 CPU: 938.872, 0.00314295/step Wall: 938.872, 0.00314295/step, 4.10556 hours remaining, 231.757812 MB of memory in use. ENERGY: 297400 3950.6252 20562.8004 14407.4965 242.8332 -203449.3819 2854.0368 0.0000 0.0000 51989.9624 -109441.6275 298.7870 -161431.5898 -109072.4523 298.9714 66.6395 100.1687 759871.3160 -3.5348 -3.4858 PRESSURE: 297600 -102.356 -172.304 -134.07 -172.304 184.81 -248.385 -134.07 -248.385 -199.566 GPRESSURE: 297600 -47.0814 -105.149 -200.915 -172.01 289.264 -197.97 -85.5901 -174.204 -265.75 PRESSAVG: 297600 37.027 6.11138 -19.4221 6.11143 -6.10452 -18.0677 -19.422 -18.0677 0.414759 GPRESSAVG: 297600 37.6652 6.34763 -20.6372 6.74705 -5.62701 -18.5422 -18.0686 -17.4309 -0.331551 TIMING: 297600 CPU: 939.499, 0.00313318/step Wall: 939.499, 0.00313318/step, 4.09263 hours remaining, 231.757812 MB of memory in use. ENERGY: 297600 4003.3893 20527.8355 14473.6458 271.7698 -203487.3050 2703.4495 0.0000 0.0000 51996.5921 -109510.6229 298.8251 -161507.2151 -109149.3791 299.0849 -39.0375 -7.8560 760178.8448 10.4457 10.5689 PRESSURE: 297800 -143.463 109.116 -115.006 109.115 2.96279 -204.79 -115.006 -204.789 31.1561 GPRESSURE: 297800 -112.868 -19.2309 33.8329 67.2403 62.4168 -211.753 -235.593 -176.178 29.7687 PRESSAVG: 297800 32.2592 8.65597 -20.2477 8.65596 43.9509 -0.63237 -20.2477 -0.632393 14.611 GPRESSAVG: 297800 31.2073 9.58689 -18.9088 6.10821 44.7353 -0.54425 -20.0131 1.08107 14.8396 TIMING: 297800 CPU: 940.125, 0.00313271/step Wall: 940.125, 0.00313271/step, 4.09183 hours remaining, 231.757812 MB of memory in use. ENERGY: 297800 4008.9118 20348.6310 14457.5379 233.4141 -203468.1490 2687.8627 0.0000 0.0000 51974.5967 -109757.1948 298.6987 -161731.7915 -109388.3651 298.7922 -36.4480 -6.8943 762317.2739 30.2737 30.2607 PRESSURE: 298000 -228.241 -296.531 172.775 -296.53 156.628 -51.9826 172.776 -51.9836 295.802 GPRESSURE: 298000 -220.294 -258.512 211.495 -280.083 274.211 -116.555 120.682 -56.4772 262.254 PRESSAVG: 298000 -8.79051 45.6901 -31.0581 45.6901 55.7142 41.9548 -31.0581 41.9548 3.62759 GPRESSAVG: 298000 -8.05391 46.6113 -30.7784 46.2384 55.4627 42.9407 -32.6139 40.2238 3.12555 TIMING: 298000 CPU: 940.756, 0.00315373/step Wall: 940.756, 0.00315373/step, 4.11912 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: 298000 3964.9035 20520.0262 14418.8505 245.9277 -203280.1286 2558.9274 0.0000 0.0000 51816.8245 -109754.6688 297.7920 -161571.4933 -109392.8919 298.1035 74.7295 105.3904 761189.8579 16.8504 16.8448 PRESSURE: 298200 39.7597 17.2859 110.449 17.287 112.318 254.117 110.448 254.115 -35.8948 GPRESSURE: 298200 132.885 37.1624 82.4693 16.4521 71.0217 360.264 208.811 178.285 -11.0223 PRESSAVG: 298200 -6.37827 -50.533 -9.86618 -50.533 -8.80557 7.21322 -9.86624 7.21315 -3.34186 GPRESSAVG: 298200 -8.18764 -50.7568 -8.85087 -52.5029 -8.64609 7.62174 -10.2302 8.04719 -1.8645 TIMING: 298200 CPU: 941.381, 0.00312599/step Wall: 941.381, 0.00312599/step, 4.08271 hours remaining, 231.757812 MB of memory in use. ENERGY: 298200 4085.2259 20615.3394 14344.2649 237.8397 -203453.8207 2960.4264 0.0000 0.0000 51752.5636 -109458.1607 297.4227 -161210.7243 -109101.4304 298.5542 38.7278 64.2949 762389.8004 -6.1752 -6.2327 PRESSURE: 298400 123.258 150 53.9785 150 -94.2493 -15.1337 53.9784 -15.1335 411.142 GPRESSURE: 298400 195.441 306.936 23.1418 212.752 -38.9051 80.9819 233.051 4.3951 363.767 PRESSAVG: 298400 17.2468 -20.1478 -11.9711 -20.1477 16.3042 34.0973 -11.9711 34.0973 -0.972723 GPRESSAVG: 298400 16.2311 -20.6322 -13.5358 -16.8633 17.1089 34.6059 -12.3384 33.6998 -1.04616 TIMING: 298400 CPU: 942.008, 0.0031344/step Wall: 942.008, 0.0031344/step, 4.09353 hours remaining, 231.757812 MB of memory in use. ENERGY: 298400 3988.1677 20599.4974 14428.2502 232.1185 -202990.6747 2445.2560 0.0000 0.0000 51876.2038 -109421.1811 298.1333 -161297.3849 -109069.0770 298.8761 146.7169 173.4343 762338.9470 10.8594 10.7646 PRESSURE: 298600 82.5602 -97.3626 -156.675 -97.3634 77.204 -28.8997 -156.675 -28.9004 219.804 GPRESSURE: 298600 163.734 -56.4484 -185.188 -60.14 55.8141 -36.2761 -117.584 -78.576 255.243 PRESSAVG: 298600 30.8556 -50.7169 -63.9589 -50.7169 -56.0046 56.1097 -63.9589 56.1097 0.12059 GPRESSAVG: 298600 31.6221 -50.1541 -63.5741 -50.4149 -57.4708 54.8189 -64.241 56.3619 0.608034 TIMING: 298600 CPU: 942.632, 0.00311989/step Wall: 942.632, 0.00311989/step, 4.0744 hours remaining, 231.757812 MB of memory in use. ENERGY: 298600 3948.7698 20637.1174 14453.0328 271.0700 -203643.1928 2860.8366 0.0000 0.0000 51904.7982 -109567.5680 298.2976 -161472.3662 -109212.4655 298.8003 126.5228 158.2637 759855.7717 -8.3428 -8.4136 PRESSURE: 298800 287.821 -19.4064 202.019 -19.407 -41.0239 -125.689 202.018 -125.689 -294.879 GPRESSURE: 298800 251.065 113.315 202.666 17.8002 14.7359 -49.951 154.365 -103.987 -234.691 PRESSAVG: 298800 -0.448768 -28.0836 -44.0481 -28.0836 7.30677 17.2828 -44.0481 17.2829 -3.02187 GPRESSAVG: 298800 -0.578153 -28.4757 -43.465 -29.4364 7.61176 18.5623 -45.1054 15.7967 -2.96121 TIMING: 298800 CPU: 943.259, 0.00313196/step Wall: 943.259, 0.00313196/step, 4.08999 hours remaining, 231.757812 MB of memory in use. ENERGY: 298800 4003.9083 20465.4152 14354.2530 232.3841 -203363.1067 2681.4449 0.0000 0.0000 52074.2096 -109551.4916 299.2712 -161625.7013 -109193.4721 298.8616 -16.0273 10.3700 761338.4544 1.2787 1.3575 PRESSURE: 299000 -36.7203 36.2134 -283.533 36.2129 -139.328 11.0236 -283.533 11.0237 -115.866 GPRESSURE: 299000 -72.7755 -63.0887 -301.818 69.4608 -108.892 26.5353 -220.749 145.764 -8.02012 PRESSAVG: 299000 -26.4053 -18.7014 -19.3773 -18.7015 8.68951 -18.2595 -19.3773 -18.2596 -21.3608 GPRESSAVG: 299000 -27.0404 -18.561 -20.4953 -18.0826 10.0267 -18.9031 -19.3413 -15.2076 -21.9781 TIMING: 299000 CPU: 943.892, 0.00316866/step Wall: 943.892, 0.00316866/step, 4.13775 hours remaining, 231.757812 MB of memory in use. ENERGY: 299000 4037.2968 20533.0540 14404.9410 249.7234 -203408.5592 2720.8760 0.0000 0.0000 52033.3479 -109429.3200 299.0364 -161462.6679 -109073.0677 299.3083 -97.3047 -63.2292 761061.4381 -13.0255 -12.9973 PRESSURE: 299200 96.2829 -52.074 112.893 -52.0746 261.664 -138.889 112.893 -138.889 -12.9508 GPRESSURE: 299200 120.076 -32.2157 54.2982 -72.3342 368.253 -133.651 200.806 -105.104 -53.4798 PRESSAVG: 299200 -42.3817 -45.0836 -3.4426 -45.0836 25.3421 23.6696 -3.4426 23.6696 24.0671 GPRESSAVG: 299200 -41.4697 -44.7813 -2.48488 -46.2946 24.7542 24.1301 -3.04569 20.087 24.217 TIMING: 299200 CPU: 944.527, 0.00317462/step Wall: 944.527, 0.00317462/step, 4.14535 hours remaining, 231.757812 MB of memory in use. ENERGY: 299200 3918.0896 20604.2906 14403.2513 268.1408 -203685.7831 2980.0920 0.0000 0.0000 52048.3695 -109463.5493 299.1227 -161511.9189 -109104.1108 298.9802 114.9986 144.9499 761896.8765 2.3425 2.5005 PRESSURE: 299400 -295.974 103.85 -111.398 103.851 -40.3006 59.268 -111.398 59.2686 554.288 GPRESSURE: 299400 -296.269 141.985 9.7938 35.6687 19.6067 -8.87607 -327.384 147.602 565.785 PRESSAVG: 299400 -35.0235 -56.6585 24.7871 -56.6585 18.8957 42.1511 24.7871 42.1511 0.122055 GPRESSAVG: 299400 -36.1108 -57.5304 24.4549 -55.5549 19.0502 42.2976 25.5295 44.1209 1.15079 TIMING: 299400 CPU: 945.159, 0.00316083/step Wall: 945.159, 0.00316083/step, 4.12717 hours remaining, 231.757812 MB of memory in use. ENERGY: 299400 3955.7139 20378.1605 14494.5140 257.3710 -203583.0936 2879.6881 0.0000 0.0000 52092.4319 -109525.2142 299.3759 -161617.6461 -109149.7222 299.1097 72.6712 96.3741 761135.4703 -5.3352 -5.3033 PRESSURE: 299600 -219.789 221.378 12.3171 221.378 -81.9279 170.001 12.3164 170 -86.9215 GPRESSURE: 299600 -256.281 20.5516 100.332 111.855 80.3889 39.4748 200.347 130.37 -117.68 PRESSAVG: 299600 -8.06998 -49.9293 58.8736 -49.9293 63.3263 27.9107 58.8734 27.9107 16.6147 GPRESSAVG: 299600 -8.40777 -50.3544 59.4822 -50.0913 64.7969 27.7844 59.7508 28.1479 15.7046 TIMING: 299600 CPU: 945.79, 0.00315415/step Wall: 945.79, 0.00315415/step, 4.11827 hours remaining, 231.757812 MB of memory in use. ENERGY: 299600 4083.6297 20533.0546 14517.5327 247.3790 -203348.2331 2663.5179 0.0000 0.0000 51822.3638 -109480.7554 297.8238 -161303.1193 -109114.9065 299.0627 -129.5460 -97.8574 761575.0451 23.9570 24.0312 PRESSURE: 299800 -457.843 -27.7097 150.234 -27.71 46.1884 79.3599 150.234 79.3604 211.07 GPRESSURE: 299800 -373.939 -87.1286 102.114 21.7341 61.9039 123.767 184.26 141.845 177.555 PRESSAVG: 299800 -15.8518 -43.4175 37.8799 -43.4175 40.4379 -19.8019 37.88 -19.8019 6.65017 GPRESSAVG: 299800 -12.54 -42.0958 37.0647 -44.625 38.7999 -22.1974 38.3374 -20.8069 4.40015 TIMING: 299800 CPU: 946.418, 0.00313964/step Wall: 946.418, 0.00313964/step, 4.09915 hours remaining, 231.757812 MB of memory in use. ENERGY: 299800 4013.1059 20487.5363 14438.8671 259.8238 -203673.6757 2966.5833 0.0000 0.0000 52038.9254 -109468.8338 299.0684 -161507.7592 -109103.5258 298.8667 -66.8616 -44.8264 760575.2722 10.4121 10.2200 PRESSURE: 300000 -127.992 -180.322 -82.5355 -180.321 -150.013 157.473 -82.5349 157.473 -359.336 GPRESSURE: 300000 -47.1103 -89.1455 -142.673 -160.207 -173.43 140.978 -66.5881 191.63 -336.505 PRESSAVG: 300000 -8.09381 -36.3323 27.6919 -36.3323 32.5521 64.0603 27.6919 64.0603 -18.9183 GPRESSAVG: 300000 -10.6129 -35.9432 30.2919 -36.175 34.0272 66.679 24.5403 65.1238 -17.7473 TIMING: 300000 CPU: 947.052, 0.00317071/step Wall: 947.052, 0.00317071/step, 4.13954 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: 300000 4055.7956 20531.2557 14485.0730 257.9863 -203212.1868 2638.8458 0.0000 0.0000 51705.3575 -109537.8728 297.1514 -161243.2303 -109186.2532 298.7331 -212.4467 -185.6818 761783.0978 1.8467 1.8890 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.042 seconds, 231.758 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=300000) takes 0.023 seconds, 231.883 MB of memory in use PRESSURE: 300200 -171.276 64.3562 103.702 64.3565 -81.0483 -195.212 103.701 -195.213 -262.849 GPRESSURE: 300200 -110.906 16.4714 106.424 99.737 -82.6233 -112.395 128.949 -0.022018 -212.443 PRESSAVG: 300200 -9.46363 -84.8691 22.5572 -84.8691 45.1598 -5.0137 22.5571 -5.01369 8.72145 GPRESSAVG: 300200 -8.73641 -85.5383 21.9355 -84.792 44.6311 -8.02248 25.5072 -3.71041 8.49456 TIMING: 300200 CPU: 947.774, 0.00361037/step Wall: 947.774, 0.00361037/step, 4.71333 hours remaining, 231.882812 MB of memory in use. ENERGY: 300200 3971.9415 20545.7435 14519.3885 263.4491 -203317.0092 2779.1459 0.0000 0.0000 51717.2103 -109520.1305 297.2195 -161237.3408 -109162.9958 298.5259 -171.7247 -135.3241 762305.7867 14.8059 14.7964 LDB: ============= START OF LOAD BALANCING ============== 960.31 LDB: ============== END OF LOAD BALANCING =============== 960.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 960.312 LDB: ============= START OF LOAD BALANCING ============== 960.627 LDB: Largest compute 7060 load 0.030186 is 15.5% of average load 0.195126 LDB: Average compute 0.004365 is 2.2% of average load 0.195126 LDB: TIME 960.63 LOAD: AVG 0.195126 MAX 0.217208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.348 MB LDB: TIME 960.631 LOAD: AVG 0.195126 MAX 0.217208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: TIME 960.631 LOAD: AVG 0.195126 MAX 0.217208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: ============== END OF LOAD BALANCING =============== 960.633 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 960.637 PRESSURE: 300400 -9.5132 -259.809 -46.2822 -259.809 -74.8611 -196.968 -46.2826 -196.967 -5.22867 GPRESSURE: 300400 76.7498 -158.576 -100.906 -296.274 -3.61657 -144.629 -115.53 -245.27 -78.8482 PRESSAVG: 300400 -4.44463 -87.0091 -16.906 -87.009 -2.58674 -17.3421 -16.906 -17.342 10.4223 GPRESSAVG: 300400 -4.50637 -85.971 -17.9542 -87.4905 -3.04807 -15.7399 -17.4409 -19.7367 10.3573 TIMING: 300400 CPU: 948.421, 0.0032309/step Wall: 948.421, 0.0032309/step, 4.21776 hours remaining, 231.554688 MB of memory in use. ENERGY: 300400 3916.3266 20621.7679 14436.2860 257.8009 -203446.1283 2724.6712 0.0000 0.0000 52092.8423 -109396.4333 299.3783 -161489.2756 -109026.8724 298.7560 -29.8677 -1.9050 762074.3560 1.1303 0.9343 PRESSURE: 300600 264.944 -52.1632 30.4468 -52.1639 -3.0566 -272.575 30.4481 -272.575 -115.527 GPRESSURE: 300600 329.927 72.9556 2.17662 -40.5709 35.811 -208.874 -21.1088 -311.183 -128.945 PRESSAVG: 300600 -10.1048 -2.99887 16.3219 -2.99881 19.5264 5.12895 16.322 5.12897 -10.4252 GPRESSAVG: 300600 -10.543 -3.1054 17.7786 -1.28534 17.6418 5.27853 14.9421 4.38616 -8.29029 TIMING: 300600 CPU: 949.058, 0.00318809/step Wall: 949.058, 0.00318809/step, 4.1617 hours remaining, 231.554688 MB of memory in use. ENERGY: 300600 3900.8186 20490.7485 14467.1711 263.6322 -203709.9555 2992.6077 0.0000 0.0000 52312.3071 -109282.6705 300.6395 -161594.9776 -108916.2718 299.2991 48.7870 78.9311 761426.6009 -0.3345 -0.3972 PRESSURE: 300800 -46.3862 211.516 -189.536 211.516 56.5623 0.795003 -189.537 0.79405 -71.6802 GPRESSURE: 300800 28.7096 136.391 -209.111 117.225 67.0345 -35.2162 -14.0088 -79.8762 -57.7109 PRESSAVG: 300800 -9.54059 -31.1025 31.4442 -31.1025 15.4425 2.36571 31.4442 2.36575 -11.324 GPRESSAVG: 300800 -10.0864 -29.9626 29.1957 -31.5722 17.8454 1.3938 34.5632 4.45279 -13.2511 TIMING: 300800 CPU: 949.694, 0.00318072/step Wall: 949.694, 0.00318072/step, 4.15191 hours remaining, 231.554688 MB of memory in use. ENERGY: 300800 4030.3052 20512.0832 14503.2414 244.1320 -203479.3666 2763.3834 0.0000 0.0000 52343.5513 -109082.6701 300.8191 -161426.2214 -108724.2895 299.4152 -20.5014 12.6777 761452.8187 -1.8074 -1.8307 PRESSURE: 301000 -39.5662 -160.483 -6.32428 -160.483 -28.445 62.3211 -6.32438 62.3196 -101.148 GPRESSURE: 301000 -47.9411 -3.76971 -157.434 -302.645 103.924 118.652 -67.2348 138.953 -147.579 PRESSAVG: 301000 -61.4934 -53.8628 44.2062 -53.8628 9.34779 -5.57003 44.2062 -5.56999 -33.3119 GPRESSAVG: 301000 -60.511 -54.8159 45.9841 -54.443 8.44269 -3.62305 43.7422 -6.91348 -32.8354 TIMING: 301000 CPU: 950.332, 0.00318865/step Wall: 950.332, 0.00318865/step, 4.16208 hours remaining, 231.554688 MB of memory in use. ENERGY: 301000 3984.4277 20599.3286 14457.0606 239.5126 -203149.1262 2448.9646 0.0000 0.0000 52060.3282 -109359.5039 299.1914 -161419.8321 -108987.1486 299.9221 -56.3864 -30.5319 763551.6355 -28.4859 -28.3012 PRESSURE: 301200 -15.9015 -70.5281 111.872 -70.5271 -317.788 172.082 111.872 172.081 44.6229 GPRESSURE: 301200 -4.16959 8.93006 75.6712 -68.2915 -273.083 121.632 -17.3182 200.264 65.7177 PRESSAVG: 301200 26.2018 -22.5658 -35.415 -22.5659 30.2506 -6.72032 -35.4151 -6.72031 24.5947 GPRESSAVG: 301200 25.708 -23.1582 -37.3721 -21.9569 29.4174 -7.37651 -36.0713 -6.1287 26.2102 TIMING: 301200 CPU: 950.973, 0.00320723/step Wall: 950.973, 0.00320723/step, 4.18615 hours remaining, 231.554688 MB of memory in use. ENERGY: 301200 3993.8655 20592.5759 14441.2743 239.2144 -203294.0597 2543.7109 0.0000 0.0000 52069.4657 -109413.9530 299.2439 -161483.4187 -109051.2534 299.0814 -96.3555 -70.5117 762400.3886 27.0157 27.1119 PRESSURE: 301400 244.182 -301.525 28.5935 -301.526 -120.155 17.7906 28.5934 17.7906 -267.749 GPRESSURE: 301400 254.515 -188.222 -25.6865 -307.455 -85.5706 -25.24 194.613 3.97785 -220.107 PRESSAVG: 301400 29.96 -34.0801 30.2612 -34.08 -37.0774 -12.7552 30.2612 -12.7552 -9.22802 GPRESSAVG: 301400 30.687 -33.7297 31.1051 -34.6109 -36.271 -14.1435 30.9912 -12.8378 -10.6824 TIMING: 301400 CPU: 951.607, 0.00316969/step Wall: 951.607, 0.00316969/step, 4.13697 hours remaining, 231.554688 MB of memory in use. ENERGY: 301400 4100.5866 20449.1650 14469.1270 237.7414 -203536.7643 2745.7912 0.0000 0.0000 52216.7183 -109317.6349 300.0902 -161534.3532 -108943.2597 299.7405 -47.9073 -17.0542 761613.5180 -5.4485 -5.4221 PRESSURE: 301600 43.8178 147.784 136.275 147.784 188.504 203.371 136.275 203.372 539.104 GPRESSURE: 301600 120.06 156.331 79.0449 197.595 276.787 200.906 80.5475 85.8666 479.461 PRESSAVG: 301600 48.1641 42.0734 26.5181 42.0734 -58.0693 -23.0763 26.5182 -23.0763 14.063 GPRESSAVG: 301600 48.4297 42.4842 26.099 40.6869 -58.2378 -22.4722 24.067 -23.6747 14.4859 TIMING: 301600 CPU: 952.243, 0.00317714/step Wall: 952.243, 0.00317714/step, 4.14652 hours remaining, 231.679688 MB of memory in use. ENERGY: 301600 3971.8806 20526.3265 14456.8911 247.0862 -203735.3360 2985.3032 0.0000 0.0000 52191.1298 -109356.7185 299.9431 -161547.8483 -108992.9328 299.5326 257.1418 292.1025 760969.2071 1.3859 1.5593 PRESSURE: 301800 62.8146 -44.3853 -40.9579 -44.3859 -79.167 -92.7575 -40.9578 -92.757 -251.388 GPRESSURE: 301800 186.553 34.5183 -81.718 -115.659 -103.879 18.0634 21.0057 -153.017 -259.114 PRESSAVG: 301800 51.6353 12.7396 43.2249 12.7396 -79.5323 -85.2676 43.2249 -85.2675 -5.35721 GPRESSAVG: 301800 51.0226 11.9978 43.931 13.952 -78.4338 -87.1757 44.1235 -82.6978 -5.66209 TIMING: 301800 CPU: 952.876, 0.00316682/step Wall: 952.876, 0.00316682/step, 4.13288 hours remaining, 231.679688 MB of memory in use. ENERGY: 301800 4049.8511 20632.8649 14515.3475 251.5780 -203477.1729 2659.0853 0.0000 0.0000 52067.8312 -109300.6149 299.2345 -161368.4461 -108937.5361 299.6706 -89.2469 -58.8130 762328.3092 -11.0847 -11.0244 PRESSURE: 302000 -279.237 -21.2269 -130.383 -21.2263 33.8273 -193.026 -130.383 -193.024 -269.119 GPRESSURE: 302000 -312.014 6.51588 -99.1185 12.7206 81.4552 -129.606 -36.2489 0.0507098 -193.856 PRESSAVG: 302000 6.75572 4.39436 -32.9002 4.39433 2.31054 -40.3861 -32.9002 -40.3862 4.89298 GPRESSAVG: 302000 7.70876 3.53744 -34.0436 6.26322 1.89721 -38.8394 -31.7695 -41.5782 4.06012 TIMING: 302000 CPU: 953.516, 0.00319809/step Wall: 953.516, 0.00319809/step, 4.17351 hours remaining, 231.679688 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: 302000 4071.1830 20579.4075 14475.6868 240.9714 -203685.0692 2621.7596 0.0000 0.0000 52290.2615 -109405.7993 300.5129 -161696.0608 -109036.8404 299.5219 -171.5093 -141.4716 761413.7732 4.6531 4.5554 PRESSURE: 302200 -248.668 -56.142 82.0046 -56.1415 -40.1956 127.169 82.0053 127.17 136.556 GPRESSURE: 302200 -236.924 -71.4283 60.3159 -6.64708 -62.575 112.586 -3.41193 173.521 249.643 PRESSAVG: 302200 -71.3427 -35.0826 -15.282 -35.0826 44.8271 1.0317 -15.282 1.03168 6.64503 GPRESSAVG: 302200 -70.9146 -34.6132 -14.6339 -35.9849 44.8369 0.150432 -16.1715 2.17355 6.43894 TIMING: 302200 CPU: 954.147, 0.00315766/step Wall: 954.147, 0.00315766/step, 4.12057 hours remaining, 231.679688 MB of memory in use. ENERGY: 302200 4037.3265 20695.5419 14504.4742 251.9307 -203330.6674 2696.7780 0.0000 0.0000 52184.9420 -108959.6742 299.9076 -161144.6162 -108604.0138 299.6158 -50.7693 -16.6187 764495.2785 -6.6235 -6.5463 PRESSURE: 302400 89.4352 136.507 -47.3535 136.506 310.125 -108.493 -47.3531 -108.493 -247.224 GPRESSURE: 302400 223.32 111.713 -21.345 71.267 286.366 -139.543 134.579 -69.7331 -265.985 PRESSAVG: 302400 -10.6661 6.3362 -19.7699 6.33617 24.086 43.0912 -19.7698 43.0912 0.0331396 GPRESSAVG: 302400 -10.8206 8.16549 -19.7403 4.27716 23.3903 43.3261 -21.1865 43.7305 1.02167 TIMING: 302400 CPU: 954.783, 0.00318021/step Wall: 954.783, 0.00318021/step, 4.14982 hours remaining, 231.679688 MB of memory in use. ENERGY: 302400 4012.0760 20594.7175 14472.5001 256.8573 -203233.1499 2496.3050 0.0000 0.0000 52429.6938 -108971.0001 301.3142 -161400.6940 -108596.4909 299.9907 50.7790 81.2335 762930.0425 4.4843 4.5305 PRESSURE: 302600 -56.5885 38.2284 -51.535 38.2275 -46.9641 302.053 -51.535 302.053 -181.273 GPRESSURE: 302600 -1.86272 54.577 -70.5618 -30.3638 -37.0122 275.327 25.3015 335.693 -151.426 PRESSAVG: 302600 17.0854 -4.12707 -3.26064 -4.12697 -66.4059 63.2425 -3.26065 63.2425 -8.37079 GPRESSAVG: 302600 18.7268 -6.49959 -3.69793 -2.627 -67.3302 63.5174 -0.633933 61.8422 -8.925 TIMING: 302600 CPU: 955.417, 0.00316875/step Wall: 955.417, 0.00316875/step, 4.13469 hours remaining, 231.679688 MB of memory in use. ENERGY: 302600 3929.1560 20622.8629 14525.0875 236.2486 -203129.4011 2590.5759 0.0000 0.0000 52198.0715 -109027.3989 299.9830 -161225.4704 -108657.7103 299.7881 -94.9419 -63.4336 763335.8045 -19.2304 -19.1761 PRESSURE: 302800 64.8179 -42.9156 64.3143 -42.9156 -46.8214 97.9076 64.3148 97.9078 -192.635 GPRESSURE: 302800 7.57799 96.2594 17.6035 -156.485 71.3588 128.37 -90.7439 85.6512 -154.826 PRESSAVG: 302800 34.2382 28.5676 45.107 28.5676 -23.8145 61.1127 45.1069 61.1127 -4.20041 GPRESSAVG: 302800 31.5223 29.8211 44.3076 25.7058 -21.4906 60.6659 42.8821 59.1903 -3.77204 TIMING: 302800 CPU: 956.047, 0.00315152/step Wall: 956.047, 0.00315152/step, 4.11203 hours remaining, 231.679688 MB of memory in use. ENERGY: 302800 3934.3888 20674.1977 14538.5523 249.8278 -203272.2009 2521.5553 0.0000 0.0000 52374.9642 -108978.7148 300.9996 -161353.6790 -108601.5298 299.7025 -58.2127 -25.2964 760015.3905 2.0744 2.0866 PRESSURE: 303000 -7.77001 88.1328 144.268 88.1331 -314.745 74.6785 144.267 74.6796 249.633 GPRESSURE: 303000 14.8972 -15.0468 266.51 224.34 -163.555 70.0591 92.6755 101.086 169.461 PRESSAVG: 303000 12.9178 -8.13739 14.3191 -8.13737 0.316544 20.0821 14.3191 20.0822 -11.3782 GPRESSAVG: 303000 14.4656 -9.23713 16.0897 -5.02928 -0.361927 20.8982 14.7823 20.5352 -11.9757 TIMING: 303000 CPU: 956.679, 0.00315917/step Wall: 956.679, 0.00315917/step, 4.12183 hours remaining, 231.679688 MB of memory in use. ENERGY: 303000 4009.9270 20617.1240 14561.7799 232.2810 -203456.0366 2686.0918 0.0000 0.0000 52243.8219 -109105.0111 300.2460 -161348.8330 -108739.6374 300.4614 -24.2940 6.9342 759845.3453 0.6187 0.7094 PRESSURE: 303200 -287.513 -124.776 -2.37338 -124.777 -233.048 210.381 -2.37297 210.381 -285.768 GPRESSURE: 303200 -365.515 -113.236 86.8623 -147.933 -78.1522 239.884 11.5484 151.454 -274.033 PRESSAVG: 303200 40.4484 34.0827 54.9541 34.0827 -26.7194 32.7728 54.9541 32.7728 -25.9986 GPRESSAVG: 303200 39.7677 34.7492 55.555 34.7711 -26.2141 33.1164 53.4858 33.8051 -25.4762 TIMING: 303200 CPU: 957.314, 0.00317612/step Wall: 957.314, 0.00317612/step, 4.14377 hours remaining, 231.679688 MB of memory in use. ENERGY: 303200 4043.5195 20617.7400 14439.4046 257.3337 -202772.3105 2184.7112 0.0000 0.0000 51976.1723 -109253.4293 298.7078 -161229.6016 -108901.2893 299.7757 -268.7765 -239.2334 760816.6165 -4.0899 -3.9742 PRESSURE: 303400 81.337 72.5489 81.6879 72.5491 -245.592 -114.46 81.6878 -114.459 -281.285 GPRESSURE: 303400 151.688 69.8507 170.756 9.65976 -290.165 11.967 96.2597 -147.379 -217.067 PRESSAVG: 303400 -1.96108 -41.1038 57.5748 -41.1038 11.8745 23.2332 57.5749 23.2332 -6.77634 GPRESSAVG: 303400 -1.50553 -40.1366 55.7844 -42.1053 12.5207 22.8201 59.0197 23.9789 -8.46981 TIMING: 303400 CPU: 957.95, 0.00317828/step Wall: 957.95, 0.00317828/step, 4.14642 hours remaining, 231.679688 MB of memory in use. ENERGY: 303400 4074.3972 20714.8343 14504.4289 257.7755 -203124.7438 2353.6430 0.0000 0.0000 52090.7881 -109128.8769 299.3665 -161219.6650 -108772.7694 299.7141 -148.5133 -118.5148 760490.6753 1.0457 0.8485 PRESSURE: 303600 182.91 44.4183 141.418 44.4192 102.966 -80.5149 141.417 -80.5147 330.279 GPRESSURE: 303600 279.596 109.183 203.011 17.9402 126.973 -166.263 89.0417 -211.77 297.609 PRESSAVG: 303600 18.1879 21.9533 6.48024 21.9533 -43.1014 -11.9834 6.48028 -11.9834 5.7737 GPRESSAVG: 303600 18.2759 21.4867 7.24613 21.6928 -44.1753 -11.3802 6.38962 -14.7328 6.46184 TIMING: 303600 CPU: 958.585, 0.00317286/step Wall: 958.585, 0.00317286/step, 4.13917 hours remaining, 231.679688 MB of memory in use. ENERGY: 303600 4016.0094 20573.1201 14487.8638 262.2128 -203202.3594 2458.6410 0.0000 0.0000 52161.2405 -109243.2718 299.7714 -161404.5123 -108886.7811 299.8875 205.3851 234.7260 760708.6934 -6.3799 -6.4792 PRESSURE: 303800 -228.84 -62.7938 136.584 -62.7944 -137.618 -137.725 136.584 -137.725 -135.719 GPRESSURE: 303800 -170.468 -150.874 140.919 -107.149 -64.6061 -77.2223 94.7971 -64.2238 -192.067 PRESSAVG: 303800 -13.9242 -18.9858 62.3357 -18.9857 -2.33873 -20.5973 62.3358 -20.5973 -9.70829 GPRESSAVG: 303800 -14.0985 -20.1265 61.7232 -18.4615 -2.64365 -20.4538 61.5923 -21.1582 -9.14208 TIMING: 303800 CPU: 959.224, 0.00319695/step Wall: 959.224, 0.00319695/step, 4.17042 hours remaining, 231.679688 MB of memory in use. ENERGY: 303800 3984.7204 20666.3034 14487.8035 249.4834 -203368.4930 2569.6407 0.0000 0.0000 52115.9236 -109294.6180 299.5109 -161410.5416 -108938.7885 299.8893 -167.3927 -142.3802 760587.3427 -8.6571 -8.6281 PRESSURE: 304000 -34.2598 142.283 -84.8122 142.282 -465.048 -206.079 -84.8123 -206.078 -261.471 GPRESSURE: 304000 -10.696 199.488 -78.883 104.358 -431.027 -171.212 -100.024 -236.663 -240.53 PRESSAVG: 304000 23.92 20.5507 7.36977 20.5507 -11.8966 -6.5337 7.36976 -6.53369 3.41074 GPRESSAVG: 304000 24.2127 22.0603 9.04517 20.5728 -11.7534 -6.8223 6.78309 -4.19936 2.42444 TIMING: 304000 CPU: 959.858, 0.00316957/step Wall: 959.858, 0.00316957/step, 4.13453 hours remaining, 231.679688 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: 304000 4018.0068 20790.7820 14450.0275 262.6150 -203220.2047 2518.4775 0.0000 0.0000 51820.3885 -109359.9076 297.8125 -161180.2961 -108996.0766 299.7880 -253.5930 -227.4178 761901.1046 5.1447 4.9612 PRESSURE: 304200 -284.115 -14.4049 219.279 -14.4048 -316.511 -16.6377 219.279 -16.6379 -727.693 GPRESSURE: 304200 -216.068 -70.9816 119.148 70.74 -382.848 -38.7977 53.8439 22.5545 -637.203 PRESSAVG: 304200 53.7462 -24.6496 23.5831 -24.6497 -47.3837 -2.64149 23.583 -2.64154 3.50653 GPRESSAVG: 304200 52.2054 -25.5243 21.4381 -23.645 -46.0679 -4.94486 25.4906 -2.83997 4.20348 TIMING: 304200 CPU: 960.488, 0.00314965/step Wall: 960.488, 0.00314965/step, 4.10836 hours remaining, 231.679688 MB of memory in use. ENERGY: 304200 4048.7096 20762.0208 14418.4976 255.9911 -203227.5941 2606.3830 0.0000 0.0000 51912.8213 -109223.1708 298.3437 -161135.9920 -108861.0818 298.9870 -442.7730 -412.0394 762637.3775 3.2897 3.4470 LDB: ============= START OF LOAD BALANCING ============== 973.022 LDB: ============== END OF LOAD BALANCING =============== 973.022 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 973.024 LDB: ============= START OF LOAD BALANCING ============== 973.339 LDB: Largest compute 7060 load 0.032421 is 16.6% of average load 0.195106 LDB: Average compute 0.004373 is 2.2% of average load 0.195106 LDB: TIME 973.342 LOAD: AVG 0.195106 MAX 0.218194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.703 MB LDB: TIME 973.343 LOAD: AVG 0.195106 MAX 0.218194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.703 MB LDB: TIME 973.343 LOAD: AVG 0.195106 MAX 0.214082 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.703 MB LDB: ============== END OF LOAD BALANCING =============== 973.346 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 973.35 PRESSURE: 304400 217.965 -461.055 105.228 -461.055 -54.7689 -181.508 105.228 -181.508 -18.1423 GPRESSURE: 304400 313.474 -377.004 112.761 -469.22 -69.6686 -145.616 94.1872 -175.409 -5.41524 PRESSAVG: 304400 73.056 -24.6494 -14.1565 -24.6494 -12.9993 -28.9531 -14.1565 -28.9531 -15.4593 GPRESSAVG: 304400 74.7072 -23.6873 -12.2246 -26.1292 -15.5666 -25.3622 -16.8202 -29.5461 -14.7441 TIMING: 304400 CPU: 961.134, 0.00322967/step Wall: 961.134, 0.00322967/step, 4.21257 hours remaining, 232.125000 MB of memory in use. ENERGY: 304400 3952.6055 20635.6921 14431.8380 245.3055 -202996.1399 2386.2293 0.0000 0.0000 51980.4070 -109364.0626 298.7321 -161344.4695 -109000.4234 299.6037 48.3514 79.4633 760871.2226 14.8658 14.7988 PRESSURE: 304600 219.277 107.219 35.4366 107.218 -295.867 117.595 35.4368 117.596 -155.389 GPRESSURE: 304600 233.389 126.566 77.3353 37.5549 -286.049 90.8816 1.8544 21.0857 -55.8018 PRESSAVG: 304600 -15.8347 3.77412 -5.5963 3.7741 18.5696 -0.0873473 -5.59622 -0.0874977 12.0043 GPRESSAVG: 304600 -15.2081 2.46535 -6.86367 5.67149 18.7134 -2.29134 -3.60138 1.61455 11.0612 TIMING: 304600 CPU: 961.769, 0.00317306/step Wall: 961.769, 0.00317306/step, 4.13855 hours remaining, 232.125000 MB of memory in use. ENERGY: 304600 4053.6591 20398.3110 14547.2838 270.0664 -203602.0612 2772.5073 0.0000 0.0000 52103.0608 -109457.1728 299.4370 -161560.2335 -109101.8557 298.8183 -77.3265 -36.1541 761417.7429 4.9131 4.8555 PRESSURE: 304800 -128.798 -44.1453 52.2412 -44.1452 -122.352 1.82849 52.241 1.82862 -74.5364 GPRESSURE: 304800 -81.3305 25.7109 96.4444 -61.0973 -139.846 -131.263 6.43518 58.6987 -6.24278 PRESSAVG: 304800 3.72857 39.774 -9.62897 39.7741 -15.2104 79.6367 -9.62898 79.6367 13.0401 GPRESSAVG: 304800 2.43302 42.0739 -9.52118 38.6448 -14.1687 79.2354 -9.89986 78.1568 13.077 TIMING: 304800 CPU: 962.398, 0.003145/step Wall: 962.398, 0.003145/step, 4.10177 hours remaining, 232.125000 MB of memory in use. ENERGY: 304800 3979.0410 20636.4877 14490.8630 259.3522 -203407.6372 2558.6041 0.0000 0.0000 51996.5384 -109486.7507 298.8248 -161483.2891 -109127.8459 299.1636 -108.5621 -75.8064 761235.0107 0.5194 0.4471 PRESSURE: 305000 192.034 238.019 -58.3874 238.019 18.9421 -49.054 -58.3872 -49.0534 344.248 GPRESSURE: 305000 181.852 203.715 -150.008 183.121 51.9043 40.5359 -47.1825 90.4308 412.915 PRESSAVG: 305000 44.6842 31.62 25.195 31.62 -33.9506 -5.94028 25.1949 -5.94022 -10.8378 GPRESSAVG: 305000 46.453 29.2575 26.428 32.1481 -35.4002 -5.60302 22.6415 -3.22571 -10.6992 TIMING: 305000 CPU: 963.036, 0.00319224/step Wall: 963.036, 0.00319224/step, 4.16322 hours remaining, 232.125000 MB of memory in use. ENERGY: 305000 3937.7352 20489.9199 14500.4533 247.2406 -203299.1731 2584.4834 0.0000 0.0000 52039.6330 -109499.7077 299.0725 -161539.3408 -109124.4829 298.9913 185.0747 215.5571 760050.9397 -0.0347 0.1179 PRESSURE: 305200 -187.694 -150.124 -156.433 -150.125 -373.069 75.5508 -156.433 75.551 -121.059 GPRESSURE: 305200 -96.0178 -120.934 -188.917 -191.672 -450.473 21.296 -144.956 60.8294 -52.0384 PRESSAVG: 305200 32.9276 34.0077 9.03559 34.0077 -14.9173 38.2439 9.03558 38.2438 8.07015 GPRESSAVG: 305200 32.7652 35.2451 10.0151 33.2331 -15.43 40.0739 12.2786 35.7222 8.05064 TIMING: 305200 CPU: 963.672, 0.00318059/step Wall: 963.672, 0.00318059/step, 4.14784 hours remaining, 232.125000 MB of memory in use. ENERGY: 305200 3931.6324 20685.5140 14478.4027 241.2556 -203245.9679 2593.5066 0.0000 0.0000 51853.1466 -109462.5099 298.0007 -161315.6566 -109110.0603 298.6531 -227.2739 -199.5096 763949.5690 8.6935 8.4619 PRESSURE: 305400 -98.4858 -39.6765 -196.687 -39.6777 22.0503 -31.8257 -196.686 -31.8257 424.293 GPRESSURE: 305400 -75.5238 -67.3436 -239.03 -60.5728 132.522 64.5309 -77.4617 -91.7014 398.111 PRESSAVG: 305400 63.1738 6.35879 -33.9797 6.35884 -38.6521 35.4551 -33.9796 35.455 -4.19695 GPRESSAVG: 305400 61.9494 6.1962 -37.0336 8.29999 -36.8005 34.0337 -32.3609 35.2242 -4.45522 TIMING: 305400 CPU: 964.312, 0.00320046/step Wall: 964.312, 0.00320046/step, 4.17357 hours remaining, 232.125000 MB of memory in use. ENERGY: 305400 3928.7982 20444.3916 14492.0667 223.3736 -203587.1987 2863.8743 0.0000 0.0000 52054.1573 -109580.5369 299.1560 -161634.6942 -109219.6868 298.5011 115.9525 151.7032 763256.9747 6.7749 6.8979 PRESSURE: 305600 20.5682 175.406 133.12 175.407 279.596 83.8928 133.12 83.8926 16.0305 GPRESSURE: 305600 98.5626 151.018 165.294 194.436 271.505 72.405 94.2816 130.406 7.29379 PRESSAVG: 305600 71.5017 20.4196 -0.718557 20.4196 -54.2363 2.72745 -0.718529 2.72739 -32.2149 GPRESSAVG: 305600 71.301 18.8902 0.443619 19.5256 -54.1002 2.52272 -2.94151 1.86732 -32.1945 TIMING: 305600 CPU: 964.947, 0.00317308/step Wall: 964.947, 0.00317308/step, 4.1377 hours remaining, 232.125000 MB of memory in use. ENERGY: 305600 3987.8100 20439.2731 14389.4081 238.0787 -203191.1348 2443.0940 0.0000 0.0000 52181.1547 -109512.3161 299.8858 -161693.4708 -109142.4977 298.9355 105.3983 125.7870 762955.6962 -4.9832 -4.9979 PRESSURE: 305800 55.7837 -17.2307 -123.487 -17.2321 -235.856 201.672 -123.487 201.673 -178.933 GPRESSURE: 305800 -3.16962 -118.772 -57.8013 -99.1486 -75.5441 180.554 -99.9697 137.895 -179.492 PRESSAVG: 305800 -0.641116 -32.1793 -29.34 -32.1794 -4.85561 18.4899 -29.3399 18.4898 -4.30881 GPRESSAVG: 305800 -0.102073 -30.8903 -27.6662 -32.397 -5.68576 17.9944 -29.8029 21.3016 -4.92115 TIMING: 305800 CPU: 965.585, 0.00318908/step Wall: 965.585, 0.00318908/step, 4.15839 hours remaining, 232.125000 MB of memory in use. ENERGY: 305800 4046.6895 20612.7160 14497.5422 255.8943 -203264.1111 2550.8109 0.0000 0.0000 51910.7189 -109389.7393 298.3316 -161300.4582 -109042.3591 299.1128 -119.6685 -86.0687 762346.4908 -3.2685 -3.5697 PRESSURE: 306000 166.14 -64.4212 -162.86 -64.4208 119.529 50.7746 -162.861 50.7745 88.5787 GPRESSURE: 306000 116.226 -27.4037 -248.847 -40.7275 188.002 89.2581 -108.507 7.16172 156.09 PRESSAVG: 306000 26.7099 -0.164458 -3.95665 -0.164543 -3.591 32.9982 -3.95668 32.9983 -1.01113 GPRESSAVG: 306000 26.4118 -0.77263 -5.41582 -0.562614 -2.30457 33.0332 -3.78151 29.9792 -0.788147 TIMING: 306000 CPU: 966.219, 0.00317275/step Wall: 966.219, 0.00317275/step, 4.13692 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: 306000 3931.0646 20514.7374 14530.8798 241.4584 -203646.1288 2718.4995 0.0000 0.0000 52141.2333 -109568.2558 299.6564 -161709.4891 -109218.0821 298.7324 124.7491 153.4393 759885.3563 7.3692 7.7730 PRESSURE: 306200 -44.9889 11.9035 -443.548 11.9034 -166.987 179.454 -443.547 179.453 -349.412 GPRESSURE: 306200 -69.331 37.9289 -542.504 -55.9521 -112.663 119.167 -362.721 47.8862 -298.018 PRESSAVG: 306200 22.0321 -21.9484 -43.1694 -21.9485 -41.9465 -7.84185 -43.1694 -7.84188 10.3123 GPRESSAVG: 306200 23.1112 -21.0905 -43.9526 -21.1296 -42.3138 -7.97301 -43.0722 -7.23341 9.48128 TIMING: 306200 CPU: 966.853, 0.00316818/step Wall: 966.853, 0.00316818/step, 4.13078 hours remaining, 232.328125 MB of memory in use. ENERGY: 306200 3951.8180 20692.5740 14552.5128 253.0563 -202797.1507 2261.6089 0.0000 0.0000 51757.5963 -109327.9844 297.4516 -161085.5807 -108962.7996 299.1289 -187.1291 -160.0039 761513.9413 -3.2007 -3.2404 PRESSURE: 306400 129.434 -30.2255 54.7821 -30.2251 389.393 11.7758 54.7817 11.7737 382.511 GPRESSURE: 306400 180.49 -146.929 61.3583 -93.1127 392.74 75.591 142.323 -4.86288 417.418 PRESSAVG: 306400 69.1655 7.18122 -13.0313 7.18127 -1.09143 -46.8572 -13.0312 -46.8572 1.65258 GPRESSAVG: 306400 68.5422 8.64666 -12.1553 4.76593 -1.59648 -46.8099 -12.0968 -46.467 1.81906 TIMING: 306400 CPU: 967.491, 0.00319007/step Wall: 967.491, 0.00319007/step, 4.15915 hours remaining, 232.328125 MB of memory in use. ENERGY: 306400 4043.2026 20398.6916 14486.5200 261.8669 -203657.8749 2980.9915 0.0000 0.0000 52009.5808 -109477.0215 298.8998 -161486.6023 -109115.3545 299.2768 300.4462 330.2159 761228.0614 23.2422 22.9216 PRESSURE: 306600 -111.382 53.1268 -96.5446 53.1265 62.9643 -267.092 -96.5448 -267.093 300.909 GPRESSURE: 306600 -50.289 80.3477 -107.976 -22.8751 118.872 -181.696 -211.266 -239.832 261.081 PRESSAVG: 306600 21.5021 31.0904 12.0216 31.0904 -15.1957 -15.4403 12.0216 -15.4404 -4.93358 GPRESSAVG: 306600 22.0437 28.3944 11.555 32.0546 -16.2488 -13.4828 10.3859 -17.5147 -3.86079 TIMING: 306600 CPU: 968.129, 0.0031911/step Wall: 968.129, 0.0031911/step, 4.16031 hours remaining, 232.328125 MB of memory in use. ENERGY: 306600 3942.5444 20466.0606 14510.6409 239.4663 -202962.7614 2345.7021 0.0000 0.0000 52053.9635 -109404.3836 299.1548 -161458.3470 -109053.3936 299.0368 84.1637 109.8880 762453.1197 0.4576 0.6447 PRESSURE: 306800 189.343 11.2249 -93.0309 11.2257 -249.542 58.4511 -93.0311 58.4521 246.133 GPRESSURE: 306800 143.621 8.68635 -77.1515 70.6939 -174.158 24.407 -50.9694 99.5608 298.174 PRESSAVG: 306800 10.454 -2.03319 -1.94988 -2.03318 -13.523 -30.09 -1.94987 -30.0899 5.2276 GPRESSAVG: 306800 11.4774 -0.54457 -1.75971 -3.2109 -12.7299 -29.7868 -0.853042 -27.0803 3.5774 TIMING: 306800 CPU: 968.763, 0.0031716/step Wall: 968.763, 0.0031716/step, 4.13471 hours remaining, 232.328125 MB of memory in use. ENERGY: 306800 3977.9625 20407.6842 14466.1563 261.3818 -202892.4225 2267.9806 0.0000 0.0000 51960.2807 -109550.9763 298.6164 -161511.2570 -109180.0169 299.2493 61.9780 89.2124 762748.7991 0.7195 0.7750 PRESSURE: 307000 -228.934 293.751 -17.065 293.751 -66.6485 -161.672 -17.0645 -161.672 79.1005 GPRESSURE: 307000 -218.247 252.126 -58.056 193.59 -68.2981 -89.8509 66.6904 -225.138 160.951 PRESSAVG: 307000 -13.9257 49.9631 36.0104 49.9631 -17.4172 -24.7278 36.0105 -24.7278 13.9606 GPRESSAVG: 307000 -14.4309 48.5103 35.9599 53.517 -17.0115 -26.9389 35.1291 -23.9051 14.0975 TIMING: 307000 CPU: 969.398, 0.00317245/step Wall: 969.398, 0.00317245/step, 4.13564 hours remaining, 232.328125 MB of memory in use. ENERGY: 307000 4035.9417 20533.2864 14531.2954 239.3101 -203718.8916 2909.5306 0.0000 0.0000 51705.0390 -109764.4885 297.1496 -161469.5275 -109409.7866 298.2183 -72.1607 -41.8649 759143.2500 -5.7941 -5.7816 PRESSURE: 307200 -25.7686 -121.41 -290.501 -121.41 -48.8318 262.41 -290.501 262.411 144.4 GPRESSURE: 307200 10.5891 -103.145 -236.027 -67.7245 27.0612 320.399 -253.758 164.064 124.542 PRESSAVG: 307200 -23.3734 30.7567 12.1246 30.7567 79.3218 -10.425 12.1246 -10.425 -3.2669 GPRESSAVG: 307200 -24.2421 33.497 12.4048 28.8574 79.2783 -10.5942 13.0833 -11.2216 -3.21013 TIMING: 307200 CPU: 970.037, 0.0031936/step Wall: 970.037, 0.0031936/step, 4.16303 hours remaining, 232.328125 MB of memory in use. ENERGY: 307200 3962.9516 20625.8749 14518.5036 249.7225 -203606.0090 2654.8590 0.0000 0.0000 51969.9242 -109624.1733 298.6719 -161594.0974 -109269.4922 298.5671 23.2664 54.0642 761029.4903 17.5605 17.2754 PRESSURE: 307400 -300.094 -15.2966 103.399 -15.2964 -70.3117 -97.4646 103.397 -97.4646 308.227 GPRESSURE: 307400 -212.809 -7.81646 145.484 -38.1478 -73.6487 -122.13 92.5238 -82.936 318.589 PRESSAVG: 307400 35.269 -43.7814 6.19415 -43.7814 -44.9614 -57.2659 6.19414 -57.2659 -20.2876 GPRESSAVG: 307400 36.7698 -46.6708 6.75556 -42.3884 -44.8253 -56.5356 5.92782 -58.2872 -21.4487 TIMING: 307400 CPU: 970.669, 0.0031605/step Wall: 970.669, 0.0031605/step, 4.11971 hours remaining, 232.328125 MB of memory in use. ENERGY: 307400 4025.5839 20503.1015 14434.0790 249.9905 -203283.8007 2419.7949 0.0000 0.0000 52140.0825 -109511.1684 299.6498 -161651.2509 -109139.9468 298.9803 -20.7264 10.7104 761107.9544 -9.9933 -9.8348 PRESSURE: 307600 180.672 -56.9575 -67.9903 -56.9574 -117.204 -94.8154 -67.9903 -94.8159 -337.668 GPRESSURE: 307600 248.072 -66.0658 -94.118 -11.0855 -141.172 -145.073 -125.176 68.5543 -290.809 PRESSAVG: 307600 76.5609 -12.4832 2.54187 -12.4831 -76.7878 -80.1976 2.54189 -80.1976 -2.21159 GPRESSAVG: 307600 75.2662 -12.6927 1.13173 -14.0842 -76.6546 -80.2171 4.92236 -78.3691 -0.653078 TIMING: 307600 CPU: 971.301, 0.0031596/step Wall: 971.301, 0.0031596/step, 4.11836 hours remaining, 232.328125 MB of memory in use. ENERGY: 307600 4011.9750 20606.0241 14470.3692 220.7164 -203857.3558 2832.2972 0.0000 0.0000 52164.2804 -109551.6935 299.7888 -161715.9739 -109185.7009 299.2949 -91.4000 -61.3030 761068.9438 -0.8128 -0.6805 PRESSURE: 307800 -135.199 -72.5395 -119.439 -72.5396 295.865 -185.627 -119.439 -185.627 -186.584 GPRESSURE: 307800 -35.2802 47.2942 -57.2405 -66.2206 301.816 -127.084 -90.0965 -61.0442 -213.274 PRESSAVG: 307800 13.2539 58.2776 -20.5572 58.2776 -4.8031 -2.19565 -20.5572 -2.19562 -1.02643 GPRESSAVG: 307800 12.8681 60.7217 -19.3531 57.516 -4.78531 -2.06593 -23.8159 -2.56943 -0.646979 TIMING: 307800 CPU: 971.932, 0.00315484/step Wall: 971.932, 0.00315484/step, 4.11198 hours remaining, 232.328125 MB of memory in use. ENERGY: 307800 4053.5056 20558.6846 14473.9944 242.4928 -203541.6726 2557.2069 0.0000 0.0000 52064.9778 -109590.8105 299.2181 -161655.7883 -109214.7007 298.9741 -8.6395 17.7541 760462.7852 2.4748 2.4786 PRESSURE: 308000 183.343 -130.369 -33.1148 -130.369 -128.141 -10.6167 -33.1154 -10.616 -328.328 GPRESSURE: 308000 227.692 -92.6204 -127.375 -94.6484 -97.3197 -44.4228 100.419 -87.5275 -319.534 PRESSAVG: 308000 53.0775 24.8678 35.724 24.8678 -6.25034 -7.77526 35.7241 -7.77533 23.5351 GPRESSAVG: 308000 52.7991 23.639 34.5522 23.3645 -5.84628 -6.8955 37.6864 -9.04937 23.3682 TIMING: 308000 CPU: 972.567, 0.00317722/step Wall: 972.567, 0.00317722/step, 4.14098 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: 308000 3985.5841 20513.2983 14439.8339 239.5489 -203534.5556 2623.5577 0.0000 0.0000 52053.0605 -109679.6722 299.1497 -161732.7327 -109320.6675 299.2044 -91.0420 -63.0539 760690.6268 23.4541 23.4403 PRESSURE: 308200 -462.897 25.0939 -15.4726 25.0934 -211.957 24.344 -15.4732 24.3443 18.0369 GPRESSURE: 308200 -395.454 -17.2764 -46.8129 -17.1278 -150.176 66.497 -100.921 33.955 -24.9381 PRESSAVG: 308200 47.3267 -6.69714 -43.8147 -6.6972 -10.8735 -40.2892 -43.8148 -40.2892 -3.34077 GPRESSAVG: 308200 47.1809 -7.29217 -44.0774 -5.12434 -10.3709 -40.1897 -42.8523 -41.5244 -3.59904 TIMING: 308200 CPU: 973.201, 0.00316932/step Wall: 973.201, 0.00316932/step, 4.1305 hours remaining, 232.328125 MB of memory in use. ENERGY: 308200 3905.9810 20589.2009 14461.1269 250.3758 -203118.4682 2430.2994 0.0000 0.0000 51572.5530 -109908.9313 296.3882 -161481.4842 -109543.0085 298.4231 -218.9391 -190.1893 761148.1227 11.0375 11.0703 LDB: ============= START OF LOAD BALANCING ============== 985.734 LDB: ============== END OF LOAD BALANCING =============== 985.734 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 985.735 LDB: ============= START OF LOAD BALANCING ============== 986.052 LDB: Largest compute 7051 load 0.029793 is 15.3% of average load 0.194998 LDB: Average compute 0.004375 is 2.2% of average load 0.194998 LDB: TIME 986.055 LOAD: AVG 0.194998 MAX 0.220801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.348 MB LDB: TIME 986.056 LOAD: AVG 0.194998 MAX 0.220801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: TIME 986.056 LOAD: AVG 0.194998 MAX 0.214195 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.348 MB LDB: ============== END OF LOAD BALANCING =============== 986.058 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.063 PRESSURE: 308400 -171.977 -72.5244 -122.661 -72.5237 -77.1456 -62.66 -122.661 -62.6596 160.541 GPRESSURE: 308400 -54.1726 -133.738 -162.641 -75.5948 -86.2253 -181.211 -108.405 -15.7925 124.868 PRESSAVG: 308400 27.4357 -14.7222 -5.18816 -14.7223 -35.9543 -31.3 -5.18811 -31.3 5.73636 GPRESSAVG: 308400 27.1501 -16.4303 -4.54631 -12.7929 -36.2411 -30.7363 -9.21576 -30.2044 5.87169 TIMING: 308400 CPU: 973.846, 0.0032263/step Wall: 973.846, 0.0032263/step, 4.20459 hours remaining, 232.578125 MB of memory in use. ENERGY: 308400 4025.9157 20491.1141 14413.1926 247.1643 -203522.1992 2429.3732 0.0000 0.0000 51897.3663 -110018.0730 298.2549 -161915.4393 -109665.4682 297.7207 -29.5270 -5.1768 760515.9691 -0.9274 -1.0731 PRESSURE: 308600 53.9862 42.7858 106.483 42.7864 -110.322 -207.804 106.483 -207.804 -425.602 GPRESSURE: 308600 66.5997 45.9321 136.704 125.202 -121.544 -221.777 31.3488 29.9414 -342.54 PRESSAVG: 308600 10.0268 -45.433 12.6889 -45.433 -13.0216 -52.1281 12.6889 -52.1281 16.2136 GPRESSAVG: 308600 10.637 -44.689 10.628 -47.893 -13.9973 -53.2705 16.4936 -52.1536 16.6102 TIMING: 308600 CPU: 974.479, 0.00316629/step Wall: 974.479, 0.00316629/step, 4.12621 hours remaining, 232.835938 MB of memory in use. ENERGY: 308600 4048.1451 20465.9446 14420.2223 240.3991 -203831.9406 2785.4105 0.0000 0.0000 51783.2157 -110088.6034 297.5989 -161871.8190 -109720.5104 297.6386 -160.6457 -132.4950 761383.6380 4.4063 4.4166 PRESSURE: 308800 -70.9738 -52.4664 -159.072 -52.4655 -24.2755 -208.258 -159.072 -208.259 374.941 GPRESSURE: 308800 -53.2917 -12.8443 -124.782 -81.202 39.7247 -251.151 -77.9191 -93.2478 355.666 PRESSAVG: 308800 2.62016 -8.92039 6.21919 -8.92044 15.7035 -43.5918 6.21924 -43.5919 -8.98921 GPRESSAVG: 308800 1.46975 -10.5275 7.67571 -5.38832 16.4614 -42.9463 6.0249 -45.2453 -9.01258 TIMING: 308800 CPU: 975.11, 0.00315519/step Wall: 975.11, 0.00315519/step, 4.11157 hours remaining, 232.835938 MB of memory in use. ENERGY: 308800 4060.1215 20756.1077 14446.1908 252.5793 -204130.3363 2986.0412 0.0000 0.0000 51800.5117 -109828.7840 297.6983 -161629.2957 -109480.5550 298.1422 93.2306 114.0329 758972.7952 3.1115 2.9729 PRESSURE: 309000 92.0748 235.171 148.123 235.17 198.852 -110.818 148.123 -110.819 -28.3344 GPRESSURE: 309000 122.735 174.585 83.2951 126.044 217.793 -128.46 173.376 -167.135 17.7628 PRESSAVG: 309000 -20.0131 4.80894 21.9206 4.80896 7.43043 -54.8358 21.9205 -54.8358 -2.35957 GPRESSAVG: 309000 -20.3261 6.34465 22.2663 2.27336 6.62415 -56.2289 20.1945 -53.7389 -1.47842 TIMING: 309000 CPU: 975.747, 0.0031848/step Wall: 975.747, 0.0031848/step, 4.14997 hours remaining, 232.835938 MB of memory in use. ENERGY: 309000 4045.6003 20692.7697 14458.0031 248.2086 -203724.5082 2650.2045 0.0000 0.0000 51891.4157 -109738.3063 298.2207 -161629.7220 -109372.7433 299.0397 87.5309 119.4304 759225.2867 -4.9808 -5.0601 PRESSURE: 309200 -166.705 -142.179 61.8002 -142.179 -135.725 -65.9442 61.7991 -65.9434 -115.951 GPRESSURE: 309200 -190.407 -89.4678 -21.0814 -267.301 -60.7912 -48.8745 86.4993 105.643 -71.8089 PRESSAVG: 309200 8.95297 -34.812 18.0262 -34.812 -39.4353 -23.5344 18.0262 -23.5344 -11.5448 GPRESSAVG: 309200 9.42547 -36.4119 18.0012 -33.7195 -38.3524 -24.0302 19.2058 -22.5198 -12.9788 TIMING: 309200 CPU: 976.379, 0.00315684/step Wall: 976.379, 0.00315684/step, 4.11336 hours remaining, 233.039062 MB of memory in use. ENERGY: 309200 4032.3826 20588.5889 14370.7923 247.4376 -203518.5516 2428.6377 0.0000 0.0000 52021.4586 -109829.2540 298.9680 -161850.7126 -109470.2225 298.8861 -139.4605 -107.6690 760738.6812 -14.0090 -13.9686 PRESSURE: 309400 -216.319 34.5272 60.5394 34.5263 -207.899 169.783 60.5389 169.784 319.507 GPRESSURE: 309400 -80.5677 4.11706 64.6589 97.1354 -225.848 138.785 95.0641 78.7582 270.957 PRESSAVG: 309400 -0.136405 -58.5232 2.3956 -58.5231 29.6531 -19.0529 2.39561 -19.0528 8.11673 GPRESSAVG: 309400 0.274216 -58.7675 3.17312 -58.9369 29.4564 -16.2131 -1.83641 -20.8382 7.76549 TIMING: 309400 CPU: 977.011, 0.00316061/step Wall: 977.011, 0.00316061/step, 4.11809 hours remaining, 233.039062 MB of memory in use. ENERGY: 309400 3942.1120 20618.6530 14383.5821 264.8333 -203309.0990 2309.9921 0.0000 0.0000 51976.6879 -109813.2385 298.7107 -161789.9264 -109457.8991 298.7285 -34.9037 -11.8195 760912.1108 12.5445 12.4987 PRESSURE: 309600 66.8375 -206.014 171.426 -206.014 -164.146 -80.9442 171.425 -80.9443 -389.937 GPRESSURE: 309600 149.961 -123.894 160.483 -57.6215 -175.028 -90.7737 162.936 -60.1357 -385.235 PRESSAVG: 309600 42.4963 -5.58408 -42.295 -5.58415 -29.8811 -40.7024 -42.295 -40.7024 9.91186 GPRESSAVG: 309600 41.5848 -2.58125 -42.6877 -5.99504 -30.6543 -42.5066 -37.489 -40.4734 11.0343 TIMING: 309600 CPU: 977.643, 0.00316225/step Wall: 977.643, 0.00316225/step, 4.12006 hours remaining, 233.039062 MB of memory in use. ENERGY: 309600 3943.6025 20562.2396 14398.8654 274.3225 -203978.5407 2963.8765 0.0000 0.0000 51986.1392 -109849.4950 298.7651 -161835.6342 -109488.6077 298.3258 -162.4149 -136.7674 760167.5201 7.5090 7.3216 PRESSURE: 309800 78.6446 -151.961 163.212 -151.961 240.588 230.791 163.212 230.791 -78.6163 GPRESSURE: 309800 88.2308 -97.2412 146.951 -135.095 212.832 243.464 88.2274 190.244 25.4071 PRESSAVG: 309800 42.5188 -0.134521 -5.65343 -0.134537 3.49297 19.6509 -5.65343 19.651 25.1975 GPRESSAVG: 309800 43.4027 -1.48923 -6.68411 0.184736 2.5284 21.4329 -6.92922 21.0446 25.084 TIMING: 309800 CPU: 978.272, 0.00314492/step Wall: 978.272, 0.00314492/step, 4.0973 hours remaining, 233.039062 MB of memory in use. ENERGY: 309800 3998.6341 20447.3092 14448.8075 234.9925 -203611.7243 2553.0783 0.0000 0.0000 51972.3011 -109956.6017 298.6855 -161928.9028 -109587.4013 298.4859 80.2056 108.8232 759839.1243 23.7364 23.6717 PRESSURE: 310000 38.2017 72.9855 -39.4785 72.9865 -219.589 -24.2093 -39.4785 -24.2084 -214.587 GPRESSURE: 310000 43.8893 -89.2043 -138.463 36.3707 -232.216 13.2108 48.9249 -40.9677 -135.08 PRESSAVG: 310000 33.4669 -12.5978 -11.1838 -12.5977 -50.7128 34.9058 -11.1838 34.9057 3.16207 GPRESSAVG: 310000 32.675 -12.6849 -10.4565 -12.8966 -49.1361 34.1157 -10.4644 32.3708 1.88569 TIMING: 310000 CPU: 978.909, 0.00318293/step Wall: 978.909, 0.00318293/step, 4.14666 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: 310000 4099.9975 20562.7739 14463.6692 254.7779 -203916.7413 2880.1543 0.0000 0.0000 51907.2841 -109748.0844 298.3119 -161655.3685 -109386.1599 298.2304 -131.9915 -107.8022 761121.4502 -4.6946 -4.8585 PRESSURE: 310200 -40.1513 45.0266 -124.548 45.0256 -125.376 28.0774 -124.548 28.0785 -1.32716 GPRESSURE: 310200 -58.7854 91.9452 -165.652 84.9407 -7.21372 29.0927 -88.537 -35.2158 -23.4785 PRESSAVG: 310200 3.73988 25.449 -30.6607 25.449 -18.2527 18.1144 -30.6608 18.1144 -11.3283 GPRESSAVG: 310200 3.32379 28.025 -31.3897 23.2205 -19.2961 18.028 -30.9341 17.3593 -10.1276 TIMING: 310200 CPU: 979.538, 0.00314735/step Wall: 979.538, 0.00314735/step, 4.10012 hours remaining, 233.039062 MB of memory in use. ENERGY: 310200 4033.1340 20388.3536 14368.3088 233.3666 -203733.2148 2617.5820 0.0000 0.0000 52309.5004 -109782.9695 300.6234 -162092.4699 -109414.2538 298.4488 -55.6183 -29.8259 760836.7967 -8.6137 -8.7000 PRESSURE: 310400 -34.3576 -6.20962 -105.29 -6.2105 -424.906 141.953 -105.29 141.954 -103.3 GPRESSURE: 310400 23.3111 -110.654 -91.4817 -30.3191 -344.136 41.9741 -41.5614 82.3105 -149.632 PRESSAVG: 310400 56.7856 -29.5135 6.20415 -29.5135 -12.4916 29.4885 6.20416 29.4885 14.407 GPRESSAVG: 310400 58.322 -32.2275 7.55729 -28.9425 -12.9748 26.8274 4.58471 33.8021 13.4784 TIMING: 310400 CPU: 980.169, 0.00315285/step Wall: 980.169, 0.00315285/step, 4.10712 hours remaining, 233.039062 MB of memory in use. ENERGY: 310400 3969.0344 20473.2233 14470.8176 245.6794 -203265.7334 2545.7321 0.0000 0.0000 51942.3459 -109618.9007 298.5134 -161561.2466 -109259.2852 299.4801 -187.5212 -156.8191 761796.4225 19.5670 19.6086 PRESSURE: 310600 108.925 -125.154 -58.0698 -125.154 47.072 -176.975 -58.0702 -176.974 164.722 GPRESSURE: 310600 122.31 -158.13 -19.7921 -166.185 62.4051 -135.569 -13.1505 -263.442 233.41 PRESSAVG: 310600 26.865 -15.6639 -5.89624 -15.6639 -86.9862 1.09023 -5.89627 1.09022 -8.8215 GPRESSAVG: 310600 26.7847 -15.865 -5.45786 -13.9275 -86.2267 3.00931 -5.11682 -2.45617 -8.65631 TIMING: 310600 CPU: 980.801, 0.00316088/step Wall: 980.801, 0.00316088/step, 4.11739 hours remaining, 233.039062 MB of memory in use. ENERGY: 310600 3902.2544 20530.2257 14369.5603 254.7766 -203245.1915 2556.4077 0.0000 0.0000 51890.3963 -109741.5705 298.2148 -161631.9668 -109380.6638 298.8876 106.9063 139.3748 762212.0850 -22.9809 -22.6994 PRESSURE: 310800 -194.366 -138.258 -247.13 -138.258 -115.442 -201.481 -247.13 -201.481 388.551 GPRESSURE: 310800 -121.504 -98.7387 -327.838 -173.126 -47.5678 -216.265 -163.13 -159.256 345.48 PRESSAVG: 310800 0.132226 7.29518 -2.59457 7.29517 11.0985 -57.2295 -2.59462 -57.2295 3.18262 GPRESSAVG: 310800 0.629436 7.46923 -4.087 6.88149 12.0185 -58.3559 -2.75248 -54.1383 2.22052 TIMING: 310800 CPU: 981.435, 0.00317048/step Wall: 981.435, 0.00317048/step, 4.12972 hours remaining, 233.039062 MB of memory in use. ENERGY: 310800 3933.5671 20367.6811 14466.3097 251.9955 -203512.1223 2789.1658 0.0000 0.0000 52144.4544 -109558.9487 299.6749 -161703.4032 -109187.3314 299.3192 26.2475 58.8031 760839.3734 4.8045 4.9562 PRESSURE: 311000 -179.321 71.1517 -161.266 71.153 -200.021 -144.555 -161.265 -144.555 -176.824 GPRESSURE: 311000 -132.669 82.2033 -177.853 27.4921 -104.548 -195.476 0.188619 -184.713 -227.084 PRESSAVG: 311000 44.4949 6.54764 -26.7704 6.54756 -40.9438 -38.2612 -26.7703 -38.2612 -19.6947 GPRESSAVG: 311000 43.8034 6.83005 -26.5851 7.33404 -40.8392 -38.1768 -27.544 -40.8966 -18.456 TIMING: 311000 CPU: 982.067, 0.00315845/step Wall: 982.067, 0.00315845/step, 4.11389 hours remaining, 233.039062 MB of memory in use. ENERGY: 311000 3921.2818 20526.9274 14471.4056 229.0857 -203157.8626 2512.7485 0.0000 0.0000 52190.4583 -109305.9552 299.9393 -161496.4135 -108940.2529 299.2167 -185.3887 -154.7670 761965.9393 -5.3812 -5.1639 PRESSURE: 311200 -45.5822 41.5579 -85.1025 41.5575 -122.863 102.041 -85.102 102.041 -37.7565 GPRESSURE: 311200 -18.2471 -18.4495 -45.1155 67.9684 -41.0437 132.39 -65.6163 166.003 -58.5259 PRESSAVG: 311200 36.6114 21.2907 27.8929 21.2907 -19.0847 -25.9275 27.8929 -25.9275 17.0122 GPRESSAVG: 311200 37.8417 22.0354 28.2458 20.4197 -19.5722 -24.3533 28.7924 -24.749 17.071 TIMING: 311200 CPU: 982.697, 0.00315142/step Wall: 982.697, 0.00315142/step, 4.10456 hours remaining, 233.039062 MB of memory in use. ENERGY: 311200 4039.3223 20543.8787 14480.0562 251.4466 -203087.4379 2437.5655 0.0000 0.0000 52066.2433 -109268.9253 299.2254 -161335.1686 -108911.0477 299.4982 -68.7338 -39.2723 760445.0302 11.5130 11.7802 PRESSURE: 311400 73.0999 -64.0118 -191.596 -64.0121 185.965 216.668 -191.596 216.668 -121.515 GPRESSURE: 311400 49.1718 -12.6527 -253.754 -56.0472 223.179 217.62 -139.971 131.307 -65.038 PRESSAVG: 311400 9.73668 -6.71073 36.4667 -6.71067 -8.60993 40.6404 36.4667 40.6404 -15.2318 GPRESSAVG: 311400 8.96446 -6.08908 35.0855 -7.12356 -7.25379 38.7142 36.039 41.4814 -16.4118 TIMING: 311400 CPU: 983.335, 0.00319052/step Wall: 983.335, 0.00319052/step, 4.1553 hours remaining, 233.039062 MB of memory in use. ENERGY: 311400 3963.4097 20679.1935 14448.1427 247.7238 -203176.1437 2649.1971 0.0000 0.0000 52201.1939 -108987.2829 300.0010 -161188.4768 -108627.7561 300.3127 45.8502 69.1043 761543.5188 -4.7017 -4.9004 PRESSURE: 311600 -88.6038 -84.6315 -98.3563 -84.6311 -146.843 102.204 -98.3562 102.204 -137.38 GPRESSURE: 311600 -17.8144 -42.5891 -114.702 -98.7592 -71.7745 58.0973 -143.466 95.0899 -189.222 PRESSAVG: 311600 31.3526 -11.6397 -21.6855 -11.6397 -50.296 33.7408 -21.6856 33.7409 8.0194 GPRESSAVG: 311600 31.3166 -13.8795 -21.4251 -10.1365 -50.4901 36.5145 -21.5405 30.8484 8.25729 TIMING: 311600 CPU: 983.972, 0.00318324/step Wall: 983.972, 0.00318324/step, 4.14564 hours remaining, 233.039062 MB of memory in use. ENERGY: 311600 3998.6214 20580.0074 14428.4368 254.9093 -202718.2533 2375.8086 0.0000 0.0000 52093.0129 -108987.4569 299.3793 -161080.4698 -108635.7237 300.6131 -124.2755 -92.9371 763744.2245 -3.6414 -3.6387 PRESSURE: 311800 295.215 336.13 235.914 336.131 288.962 81.7925 235.914 81.792 -41.7384 GPRESSURE: 311800 339 216.614 212.081 342.69 312.77 100.541 246.115 -34.0654 -14.4266 PRESSAVG: 311800 68.262 16.8868 -19.7761 16.8868 -4.34579 -1.61761 -19.7761 -1.61756 11.8547 GPRESSAVG: 311800 68.435 18.6031 -18.0203 16.4629 -5.11865 -3.24986 -20.6627 -0.72547 12.4067 TIMING: 311800 CPU: 984.603, 0.0031568/step Wall: 984.603, 0.0031568/step, 4.11103 hours remaining, 233.039062 MB of memory in use. ENERGY: 311800 4060.8894 20463.1554 14406.5509 231.6713 -203131.2446 2655.8104 0.0000 0.0000 52199.5813 -109113.5860 299.9917 -161313.1672 -108745.8696 300.2246 180.8126 212.4479 760561.7300 25.2570 25.2410 PRESSURE: 312000 -148.408 -12.0174 -169.776 -12.0174 -13.0787 -50.7007 -169.776 -50.7006 -67.2571 GPRESSURE: 312000 -57.1529 121.11 -253.792 -89.9655 -47.7682 -32.5377 -274.948 -113.993 -56.5931 PRESSAVG: 312000 -28.2371 10.7088 -11.4114 10.7088 -19.4912 -3.98992 -11.4114 -3.98996 6.49958 GPRESSAVG: 312000 -27.7832 10.3721 -14.4309 9.8228 -19.3878 -3.53805 -10.7229 -4.26967 5.79733 TIMING: 312000 CPU: 985.237, 0.00317082/step Wall: 985.237, 0.00317082/step, 4.12911 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: 312000 3923.0005 20481.0138 14481.4406 235.2123 -203500.7089 2746.2821 0.0000 0.0000 52184.0217 -109449.7379 299.9023 -161633.7596 -109086.7833 300.0002 -76.2480 -53.8381 762555.0451 -13.7429 -13.7912 PRESSURE: 312200 46.5714 -46.7202 -218.908 -46.7203 161.958 27.7769 -218.908 27.7772 -41.7954 GPRESSURE: 312200 35.6717 -83.4651 -226.727 -30.0461 210.58 21.5114 -144.355 75.2269 29.7691 PRESSAVG: 312200 -23.0978 49.9676 -12.3019 49.9675 -0.71859 61.1677 -12.302 61.1677 -20.1167 GPRESSAVG: 312200 -23.062 49.5763 -11.9481 49.4304 -1.03456 60.3341 -11.5573 61.5219 -20.5211 TIMING: 312200 CPU: 985.869, 0.00315679/step Wall: 985.869, 0.00315679/step, 4.11067 hours remaining, 233.039062 MB of memory in use. ENERGY: 312200 3994.1015 20610.6530 14494.4601 241.9961 -203014.4133 2441.7647 0.0000 0.0000 51898.9581 -109332.4798 298.2640 -161231.4379 -108970.2343 299.5770 55.5781 92.0070 762155.0225 -14.6444 -14.8726 LDB: ============= START OF LOAD BALANCING ============== 998.399 LDB: ============== END OF LOAD BALANCING =============== 998.399 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.401 LDB: ============= START OF LOAD BALANCING ============== 998.716 LDB: Largest compute 7042 load 0.030676 is 15.7% of average load 0.194976 LDB: Average compute 0.004386 is 2.2% of average load 0.194976 LDB: TIME 998.719 LOAD: AVG 0.194976 MAX 0.214626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.324 MB LDB: TIME 998.72 LOAD: AVG 0.194976 MAX 0.214626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.324 MB LDB: TIME 998.72 LOAD: AVG 0.194976 MAX 0.214626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.324 MB LDB: ============== END OF LOAD BALANCING =============== 998.722 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.726 PRESSURE: 312400 307.842 143.57 -87.4365 143.569 119.647 40.5949 -87.4361 40.5943 -38.2804 GPRESSURE: 312400 332.701 -11.4048 -74.6673 85.3292 105.6 118.861 -85.2848 -73.9916 48.615 PRESSAVG: 312400 -14.9312 0.864982 25.9424 0.864982 17.8514 29.1954 25.9424 29.1954 -0.759429 GPRESSAVG: 312400 -15.3978 0.936489 26.8022 1.77123 17.7145 29.7935 27.0681 27.9789 -0.134584 TIMING: 312400 CPU: 986.51, 0.00320559/step Wall: 986.51, 0.00320559/step, 4.17403 hours remaining, 233.605469 MB of memory in use. ENERGY: 312400 3984.0657 20444.8628 14471.8937 257.8969 -203280.9960 2559.5324 0.0000 0.0000 52450.4771 -109112.2675 301.4336 -161562.7445 -108747.8836 299.5634 129.7359 162.3054 759706.9429 0.7203 0.7274 PRESSURE: 312600 -282.716 -52.1836 71.9607 -52.1839 79.3121 -219.57 71.9607 -219.569 -17.8718 GPRESSURE: 312600 -126.478 -193.273 0.135632 2.47653 22.1367 -238.004 21.6951 -210.497 -64.6729 PRESSAVG: 312600 3.09115 -20.2715 1.43989 -20.2715 -10.9517 31.5824 1.43997 31.5824 -15.8511 GPRESSAVG: 312600 4.47069 -19.8969 1.32966 -21.7079 -12.6885 30.5713 1.85835 33.4303 -16.273 TIMING: 312600 CPU: 987.145, 0.00317726/step Wall: 987.145, 0.00317726/step, 4.13697 hours remaining, 233.605469 MB of memory in use. ENERGY: 312600 4030.0503 20681.1432 14446.3735 247.4568 -203306.1207 2627.9079 0.0000 0.0000 52281.1321 -108992.0570 300.4604 -161273.1891 -108639.4704 300.0864 -73.7586 -56.3380 761932.7269 -7.9039 -8.1636 PRESSURE: 312800 82.0874 -73.3768 158.834 -73.3773 -87.29 -17.2155 158.834 -17.2151 -61.6474 GPRESSURE: 312800 112.986 -82.7382 209.415 -137.408 -35.89 56.7501 243.038 67.3953 -74.9995 PRESSAVG: 312800 9.95413 -16.0069 29.9306 -16.0069 0.38664 34.9766 29.9306 34.9765 9.65066 GPRESSAVG: 312800 8.74965 -16.9988 31.8331 -14.0387 1.48443 36.6295 28.0796 32.9638 9.68747 TIMING: 312800 CPU: 987.78, 0.00317354/step Wall: 987.78, 0.00317354/step, 4.13195 hours remaining, 233.605469 MB of memory in use. ENERGY: 312800 3989.5711 20540.0538 14435.6147 236.3948 -202719.1510 2374.9177 0.0000 0.0000 52066.2474 -109076.3515 299.2254 -161142.5990 -108705.0048 299.9494 -22.2833 0.6990 762877.4238 6.6638 6.6405 PRESSURE: 313000 -274.685 109.273 176.144 109.273 -629.157 176.165 176.145 176.165 -290.882 GPRESSURE: 313000 -266.337 -12.3883 133.751 116.769 -597.787 97.1127 121.796 176.647 -231.441 PRESSAVG: 313000 27.2659 25.4569 77.3859 25.4569 -34.6584 4.51314 77.3858 4.51314 -5.65802 GPRESSAVG: 313000 28.1838 26.9922 75.6362 24.451 -34.9422 5.3042 76.5044 4.71931 -5.68916 TIMING: 313000 CPU: 988.41, 0.00314812/step Wall: 988.41, 0.00314812/step, 4.09868 hours remaining, 233.605469 MB of memory in use. ENERGY: 313000 3917.5235 20502.1233 14473.1042 246.3884 -202853.9062 2415.1909 0.0000 0.0000 52020.8110 -109278.7649 298.9643 -161299.5759 -108908.1996 299.9011 -398.2412 -365.1886 763411.7685 -4.3502 -4.1492 PRESSURE: 313200 82.8358 106.815 -26.3256 106.816 97.1394 -164.448 -26.326 -164.448 256.044 GPRESSURE: 313200 88.0832 73.4602 -118.721 -85.309 196.624 -126.469 -104.4 -316.677 237.339 PRESSAVG: 313200 12.7289 17.6264 44.3401 17.6264 -52.0391 -8.5165 44.3401 -8.51661 2.62059 GPRESSAVG: 313200 11.5615 16.8382 44.636 16.9482 -52.405 -10.2185 46.5967 -8.07107 3.96568 TIMING: 313200 CPU: 989.041, 0.00315611/step Wall: 989.041, 0.00315611/step, 4.1089 hours remaining, 233.605469 MB of memory in use. ENERGY: 313200 3916.4450 20552.6675 14434.3587 257.0921 -203468.8035 2726.8615 0.0000 0.0000 52237.8983 -109343.4804 300.2119 -161581.3787 -108974.4987 299.5827 145.3399 174.0154 761802.4730 -12.2299 -12.2926 PRESSURE: 313400 289.182 -8.46162 151.647 -8.46202 139.485 -135.73 151.646 -135.73 148.438 GPRESSURE: 313400 322.671 62.1672 82.8385 -17.1469 170.575 -115.999 81.7838 -132.219 161.465 PRESSAVG: 313400 10.2048 43.4141 73.8965 43.4141 -17.4942 -19.5148 73.8965 -19.5149 -5.05112 GPRESSAVG: 313400 10.3382 44.7588 73.5474 44.1607 -17.0201 -18.2573 72.954 -18.8921 -5.31404 TIMING: 313400 CPU: 989.67, 0.0031453/step Wall: 989.67, 0.0031453/step, 4.09466 hours remaining, 233.605469 MB of memory in use. ENERGY: 313400 3964.6116 20624.3943 14457.4853 228.0115 -203411.7355 2580.2065 0.0000 0.0000 52143.3290 -109413.6972 299.6684 -161557.0262 -109053.9500 299.8199 192.3683 218.2370 761069.9050 -4.1135 -3.9987 PRESSURE: 313600 -158.596 182.693 -62.4153 182.693 155.114 201.039 -62.4157 201.039 -13.2647 GPRESSURE: 313600 -106.29 179.491 -69.4726 212.841 147.192 100.243 69.1684 191.97 61.7776 PRESSAVG: 313600 -2.17153 14.4786 44.5665 14.4786 21.4872 14.6284 44.5665 14.6284 21.1598 GPRESSAVG: 313600 -2.29318 13.0468 45.4528 15.4201 21.5406 14.4981 44.0461 13.8765 21.3403 TIMING: 313600 CPU: 990.3, 0.0031493/step Wall: 990.3, 0.0031493/step, 4.09969 hours remaining, 233.605469 MB of memory in use. ENERGY: 313600 3967.8047 20504.9126 14403.4688 243.0896 -203211.7311 2582.0300 0.0000 0.0000 52208.8201 -109301.6052 300.0448 -161510.4253 -108938.9630 299.2686 -5.5820 34.2266 760685.8265 13.4918 13.5293 PRESSURE: 313800 -70.3594 -26.2912 -202.662 -26.2916 -237.406 49.1848 -202.661 49.185 11.6104 GPRESSURE: 313800 83.1918 8.28391 -180.907 -102.852 -267.94 66.7031 -117.91 205.548 -29.4796 PRESSAVG: 313800 34.7836 31.7317 -10.2385 31.7317 -46.7416 -19.2654 -10.2385 -19.2653 -1.99735 GPRESSAVG: 313800 36.076 32.3449 -11.6064 30.9411 -47.0371 -17.5418 -9.54708 -21.3372 -3.00777 TIMING: 313800 CPU: 990.931, 0.00315629/step Wall: 990.931, 0.00315629/step, 4.10861 hours remaining, 233.605469 MB of memory in use. ENERGY: 313800 3995.0120 20696.8476 14500.5689 254.9161 -203587.5523 2749.7828 0.0000 0.0000 52233.0681 -109157.3566 300.1842 -161390.4248 -108797.5960 300.0465 -98.7182 -71.4094 762201.5834 -4.6518 -4.6563 PRESSURE: 314000 -340.162 247.092 -81.2089 247.092 147.005 -118.928 -81.2082 -118.929 -97.9352 GPRESSURE: 314000 -181.4 240.313 -129.293 162.039 72.6767 -143.462 -88.744 -76.3313 -116.271 PRESSAVG: 314000 24.6417 29.9344 -8.7824 29.9345 -14.6996 15.3271 -8.78235 15.3271 1.52228 GPRESSAVG: 314000 23.4077 29.047 -7.63587 27.9735 -14.3436 13.9832 -8.7792 15.0252 2.09942 TIMING: 314000 CPU: 991.569, 0.00319066/step Wall: 991.569, 0.00319066/step, 4.15318 hours remaining, 233.605469 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: 314000 4067.6129 20461.4860 14504.7176 230.9087 -203461.5880 2710.2776 0.0000 0.0000 52359.9004 -109126.6847 300.9131 -161486.5851 -108748.4006 300.3478 -97.0308 -74.9982 762446.9880 3.8215 3.7212 PRESSURE: 314200 -65.1528 71.8297 -20.0574 71.8297 -210.71 202.128 -20.0577 202.128 -95.382 GPRESSURE: 314200 -78.7148 38.3342 -22.1606 93.0046 -108.046 165.41 -107.82 299.423 -90.3952 PRESSAVG: 314200 11.3681 13.8757 -1.62417 13.8756 16.0171 43.1236 -1.62422 43.1236 1.52744 GPRESSAVG: 314200 10.977 15.0117 0.401753 16.2266 17.1094 41.0622 -1.69406 45.1365 0.979318 TIMING: 314200 CPU: 992.203, 0.00316774/step Wall: 992.203, 0.00316774/step, 4.12316 hours remaining, 233.605469 MB of memory in use. ENERGY: 314200 4004.8377 20537.6542 14492.3993 269.9968 -203152.5278 2411.0785 0.0000 0.0000 52168.1525 -109268.4088 299.8111 -161436.5612 -108900.2634 300.0152 -123.7484 -92.3852 760973.8390 9.6375 9.6886 PRESSURE: 314400 -226.402 119.252 48.4852 119.252 153.892 -135.687 48.485 -135.688 192.061 GPRESSURE: 314400 -151.1 138.756 88.4002 114.312 219.557 -14.0666 25.5051 -172.268 145.491 PRESSAVG: 314400 -15.079 25.7515 15.2566 25.7516 -16.4863 36.6842 15.2566 36.6841 -29.646 GPRESSAVG: 314400 -14.2392 25.415 13.7527 26.3176 -18.1577 38.0449 14.2983 37.625 -28.3973 TIMING: 314400 CPU: 992.835, 0.00315997/step Wall: 992.835, 0.00315997/step, 4.11287 hours remaining, 233.605469 MB of memory in use. ENERGY: 314400 3985.8733 20461.3578 14425.3620 237.0128 -202886.2246 2422.9239 0.0000 0.0000 51988.8213 -109364.8735 298.7805 -161353.6948 -108996.3050 299.6831 39.8503 71.3161 762165.9643 -20.4038 -20.2647 PRESSURE: 314600 305.415 148.66 64.2718 148.659 -301.038 -22.1089 64.2718 -22.1085 105.109 GPRESSURE: 314600 290.92 82.7098 91.6701 207.217 -197.55 47.0842 144.86 -35.533 110.345 PRESSAVG: 314600 90.3706 31.4843 85.2511 31.4842 -55.8887 28.5786 85.2511 28.5786 23.679 GPRESSAVG: 314600 89.8087 30.9194 84.616 31.5238 -55.3658 29.0217 87.8534 27.3062 23.5262 TIMING: 314600 CPU: 993.469, 0.00317346/step Wall: 993.469, 0.00317346/step, 4.13025 hours remaining, 233.605469 MB of memory in use. ENERGY: 314600 4001.8538 20533.6810 14465.0572 264.5069 -203036.2391 2397.3986 0.0000 0.0000 52075.0529 -109298.6886 299.2760 -161373.7415 -108947.7725 299.4544 36.4955 67.9052 762522.1075 19.3870 19.3230 PRESSURE: 314800 244.834 -258.367 45.7895 -258.367 8.17533 -269.493 45.789 -269.493 623.939 GPRESSURE: 314800 343.005 -287.661 12.5613 -278.191 56.5721 -166.404 -21.81 -262.398 537.48 PRESSAVG: 314800 37.1586 -10.4109 47.9629 -10.4109 -56.8124 11.9997 47.9629 11.9998 12.7175 GPRESSAVG: 314800 35.3137 -9.6492 48.1634 -12.4754 -55.387 12.0315 43.633 13.11 12.7641 TIMING: 314800 CPU: 994.107, 0.00318619/step Wall: 994.107, 0.00318619/step, 4.14665 hours remaining, 233.605469 MB of memory in use. ENERGY: 314800 4019.6987 20518.3443 14448.0100 260.4523 -203507.9936 2845.4423 0.0000 0.0000 52153.4708 -109262.5753 299.7267 -161416.0461 -108899.2619 299.9418 292.3160 312.3524 762315.9713 -2.3121 -2.4364 PRESSURE: 315000 50.6421 93.2377 218.589 93.237 -136.312 -11.2365 218.588 -11.2368 -48.6448 GPRESSURE: 315000 183.018 181.953 207.214 172.844 -151.869 -56.757 131.033 21.6609 -72.7721 PRESSAVG: 315000 39.6426 8.60308 29.8536 8.60301 -36.2295 8.0473 29.8536 8.04726 -8.41808 GPRESSAVG: 315000 42.1987 7.25239 29.2091 11.0771 -39.0341 8.55064 30.8076 7.07568 -8.21311 TIMING: 315000 CPU: 994.748, 0.00320882/step Wall: 994.748, 0.00320882/step, 4.17592 hours remaining, 233.605469 MB of memory in use. ENERGY: 315000 3963.8157 20535.9556 14484.4504 232.0399 -203319.2921 2477.6119 0.0000 0.0000 52210.0148 -109415.4038 300.0517 -161625.4186 -109056.8037 299.7272 -44.7717 -13.8744 761528.1096 -1.6683 -1.6829 PRESSURE: 315200 15.0992 -67.4519 -236.698 -67.4513 -242.053 -55.3247 -236.698 -55.3248 229.373 GPRESSURE: 315200 -11.6682 -62.0694 -138.948 -58.5164 -194.813 -35.147 -199.569 68.4149 298.079 PRESSAVG: 315200 43.0569 27.9379 32.0063 27.9379 -36.7726 38.1129 32.0063 38.1129 10.0236 GPRESSAVG: 315200 41.9967 28.5008 32.038 27.1274 -35.1555 36.5521 35.1952 39.393 9.51762 TIMING: 315200 CPU: 995.387, 0.00319259/step Wall: 995.387, 0.00319259/step, 4.15462 hours remaining, 233.605469 MB of memory in use. ENERGY: 315200 3973.2956 20545.4186 14491.8299 250.7772 -203271.9315 2377.7568 0.0000 0.0000 52257.7046 -109375.1487 300.3257 -161632.8534 -109007.3440 299.0447 0.8066 30.5327 762437.9004 5.4360 5.4529 PRESSURE: 315400 -12.7757 -21.9291 -202.927 -21.9295 149.42 -98.3626 -202.928 -98.3627 106.661 GPRESSURE: 315400 14.2973 -60.6942 -99.2002 -106.908 243.371 -112.348 -222.802 -55.9214 71.3931 PRESSAVG: 315400 59.3465 -33.3543 4.54232 -33.3542 -34.921 57.866 4.5423 57.866 -3.40011 GPRESSAVG: 315400 58.991 -33.6186 5.05202 -32.1655 -34.2978 59.4213 2.5031 56.7486 -3.29415 TIMING: 315400 CPU: 996.026, 0.00319278/step Wall: 996.026, 0.00319278/step, 4.1547 hours remaining, 233.605469 MB of memory in use. ENERGY: 315400 4033.3259 20593.8369 14498.8111 258.1878 -203484.0180 2827.5925 0.0000 0.0000 51957.5909 -109314.6727 298.6010 -161272.2637 -108958.8817 299.8027 81.1021 109.6872 762043.2429 7.0085 7.1330 PRESSURE: 315600 204.63 -164.231 124.736 -164.23 45.4041 -30.4142 124.737 -30.4132 -296.631 GPRESSURE: 315600 296.352 -67.9399 169.288 -92.5023 57.1813 2.54386 69.1256 -95.7117 -330.219 PRESSAVG: 315600 -17.437 -52.1858 -26.7074 -52.1859 -8.74052 -0.294311 -26.7074 -0.294292 31.2735 GPRESSAVG: 315600 -16.626 -50.3154 -26.766 -52.7935 -10.41 -1.85292 -26.9805 1.82228 32.0199 TIMING: 315600 CPU: 996.663, 0.00318699/step Wall: 996.663, 0.00318699/step, 4.14698 hours remaining, 233.605469 MB of memory in use. ENERGY: 315600 4016.8756 20630.9016 14480.2045 234.1801 -203222.6289 2519.7883 0.0000 0.0000 52062.0687 -109278.6101 299.2014 -161340.6788 -108926.5841 299.7577 -15.5323 7.7717 760499.9989 1.6987 1.6613 PRESSURE: 315800 -163.922 -313.897 2.3483 -313.898 -39.2466 270.843 2.34856 270.844 -242.745 GPRESSURE: 315800 -147.842 -284.203 7.82492 -312.129 19.7005 269.614 -107.002 277.224 -249.757 PRESSAVG: 315800 -32.9508 -42.4506 18.6671 -42.4506 73.2169 -42.0131 18.6671 -42.0131 1.10551 GPRESSAVG: 315800 -33.9395 -43.7595 19.5249 -44.1008 74.1902 -40.1688 17.3543 -42.2529 1.54521 TIMING: 315800 CPU: 997.295, 0.00316251/step Wall: 997.295, 0.00316251/step, 4.11496 hours remaining, 233.605469 MB of memory in use. ENERGY: 315800 4007.2732 20650.8680 14531.5104 241.0234 -203094.2607 2296.5932 0.0000 0.0000 52143.8332 -109223.1593 299.6713 -161366.9925 -108847.6032 299.6748 -148.6379 -125.9662 761404.7177 13.7905 13.9320 PRESSURE: 316000 54.5512 212.616 75.8838 212.616 -160.412 50.9875 75.8837 50.9876 195.233 GPRESSURE: 316000 96.097 258.24 126.517 99.6844 -67.1186 50.969 50.2706 57.1489 133.019 PRESSAVG: 316000 -1.64597 -26.8437 18.4137 -26.8437 21.015 26.3571 18.4137 26.3571 -26.2163 GPRESSAVG: 316000 -1.18182 -24.9763 19.0479 -26.7228 20.9255 25.008 19.1812 25.5374 -25.9809 TIMING: 316000 CPU: 997.929, 0.0031702/step Wall: 997.929, 0.0031702/step, 4.12479 hours remaining, 233.605469 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: 316000 3931.3908 20617.6853 14498.2054 264.3010 -203845.8492 2803.7528 0.0000 0.0000 52313.7173 -109416.7965 300.6477 -161730.5138 -109061.5063 299.7899 29.7910 53.9991 761172.7338 -2.2824 -2.0791 PRESSURE: 316200 -89.3577 27.4678 24.1099 27.4681 5.2598 30.7616 24.1108 30.761 -264.552 GPRESSURE: 316200 7.21965 93.9396 32.2499 -77.1332 51.5405 61.7532 83.4706 -74.7985 -326.577 PRESSAVG: 316200 10.2212 -16.1664 35.3759 -16.1664 7.47166 74.9977 35.3759 74.9976 10.364 GPRESSAVG: 316200 11.0058 -17.9304 34.4797 -14.4212 7.32635 75.0844 37.2062 74.0318 9.71887 TIMING: 316200 CPU: 998.563, 0.00316657/step Wall: 998.563, 0.00316657/step, 4.11989 hours remaining, 233.605469 MB of memory in use. ENERGY: 316200 3927.1646 20459.5147 14452.6920 252.2631 -203218.5209 2529.8173 0.0000 0.0000 52233.6927 -109363.3764 300.1878 -161597.0691 -108988.1642 299.2920 -116.2167 -89.2723 760378.4806 9.3523 9.3503 LDB: ============= START OF LOAD BALANCING ============== 1011.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1011.1 LDB: =============== DONE WITH MIGRATION ================ 1011.1 LDB: ============= START OF LOAD BALANCING ============== 1011.42 LDB: Largest compute 7042 load 0.029217 is 15.0% of average load 0.195129 LDB: Average compute 0.004369 is 2.2% of average load 0.195129 LDB: TIME 1011.42 LOAD: AVG 0.195129 MAX 0.21548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.387 MB LDB: TIME 1011.42 LOAD: AVG 0.195129 MAX 0.21548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.387 MB LDB: TIME 1011.42 LOAD: AVG 0.195129 MAX 0.21548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.387 MB LDB: ============== END OF LOAD BALANCING =============== 1011.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1011.43 PRESSURE: 316400 -128.46 -210.473 263.783 -210.473 -106.955 52.2342 263.783 52.2335 -274.772 GPRESSURE: 316400 -131.028 -281.419 132.475 -123.415 -26.4053 -5.49028 184.494 -1.32902 -273.791 PRESSAVG: 316400 -53.1454 16.6214 31.4155 16.6214 80.5852 -21.672 31.4155 -21.672 12.511 GPRESSAVG: 316400 -53.2875 17.1329 29.9746 16.3635 80.6734 -21.4715 31.4622 -21.6446 12.2311 TIMING: 316400 CPU: 999.211, 0.00324151/step Wall: 999.211, 0.00324151/step, 4.21721 hours remaining, 232.835938 MB of memory in use. ENERGY: 316400 4046.3641 20436.2512 14479.9069 264.0615 -203209.0694 2585.3559 0.0000 0.0000 52129.2240 -109267.9058 299.5874 -161397.1298 -108908.9716 299.6699 -170.0624 -143.7414 761204.8576 13.3169 13.2057 PRESSURE: 316600 -225.172 43.4085 50.9522 43.4088 98.933 91.821 50.952 91.8202 -182.941 GPRESSURE: 316600 -154.564 83.5112 86.0879 -116.855 69.0434 49.3498 -0.0777851 67.003 -131.442 PRESSAVG: 316600 -26.1445 -22.0361 -39.8903 -22.0361 31.1132 -36.9605 -39.8903 -36.9605 -9.75914 GPRESSAVG: 316600 -26.8824 -22.2915 -38.2327 -22.0679 31.7694 -37.0289 -41.2037 -36.7468 -9.5298 TIMING: 316600 CPU: 999.846, 0.00317567/step Wall: 999.846, 0.00317567/step, 4.13137 hours remaining, 233.039062 MB of memory in use. ENERGY: 316600 3923.6268 20575.4138 14428.0677 284.8912 -203008.3374 2553.4799 0.0000 0.0000 52043.5056 -109199.3524 299.0947 -161242.8579 -108848.7819 300.1537 -103.0597 -72.3208 760072.8967 -1.5968 -1.5476 PRESSURE: 316800 43.7289 39.488 74.3573 39.4879 -105.409 235.016 74.3584 235.016 39.3593 GPRESSURE: 316800 86.2683 -0.916129 85.5332 -39.9714 -101.551 234.517 -86.0917 146.712 94.8633 PRESSAVG: 316800 -82.431 56.5531 45.1385 56.5531 63.0338 24.5664 45.1385 24.5664 3.21586 GPRESSAVG: 316800 -80.7846 57.7451 44.0411 56.6049 61.3862 25.3099 45.7531 26.0459 3.91465 TIMING: 316800 CPU: 1000.48, 0.00318838/step Wall: 1000.48, 0.00318838/step, 4.14773 hours remaining, 233.039062 MB of memory in use. ENERGY: 316800 3924.2753 20701.8050 14422.7373 246.1829 -203107.4797 2579.7537 0.0000 0.0000 52294.0265 -108938.6990 300.5345 -161232.7255 -108574.0436 299.8982 -7.4403 26.5270 763330.0593 -5.3938 -5.1613 PRESSURE: 317000 -280.022 65.9334 -12.5047 65.9331 49.7303 123.41 -12.505 123.41 254.695 GPRESSURE: 317000 -202.389 -52.9051 -34.514 -23.3026 100.621 107.567 75.4192 67.3891 223.549 PRESSAVG: 317000 -43.6435 46.9453 83.8542 46.9453 12.2974 28.1003 83.8541 28.1003 -45.3493 GPRESSAVG: 317000 -44.7591 45.0798 83.0455 45.2276 14.1617 25.7783 84.4814 28.5904 -46.1185 TIMING: 317000 CPU: 1001.12, 0.00317134/step Wall: 1001.12, 0.00317134/step, 4.12539 hours remaining, 233.039062 MB of memory in use. ENERGY: 317000 3936.9880 20548.5892 14458.1815 264.0514 -202692.1602 2338.6246 0.0000 0.0000 52341.6235 -108804.1020 300.8080 -161145.7255 -108436.1894 300.4321 8.1346 40.5940 763107.5506 -25.5651 -25.5720 PRESSURE: 317200 -283.1 -11.1831 47.4729 -11.184 -93.8128 274.201 47.4732 274.201 -162.371 GPRESSURE: 317200 -286.214 86.4636 35.2486 -15.1971 -40.1389 224.245 -22.5665 88.1169 -113.952 PRESSAVG: 317200 -16.2835 -27.0387 79.3596 -27.0387 2.81015 40.0796 79.3596 40.0796 -10.5386 GPRESSAVG: 317200 -15.8225 -24.4233 81.6358 -25.1731 1.99722 43.5787 78.6644 36.2627 -9.5096 TIMING: 317200 CPU: 1001.75, 0.00316473/step Wall: 1001.75, 0.00316473/step, 4.11661 hours remaining, 233.039062 MB of memory in use. ENERGY: 317200 3899.8433 20430.3458 14493.0070 236.2850 -203026.2967 2476.6777 0.0000 0.0000 52549.6395 -108940.4984 302.0035 -161490.1379 -108556.5365 300.3163 -179.7610 -146.7683 763023.1463 -8.0040 -7.7783 PRESSURE: 317400 -113.655 -191.388 -117.78 -191.387 -4.947 53.9153 -117.78 53.9157 -217.695 GPRESSURE: 317400 -3.64417 -200.515 -47.6781 -46.413 -2.93785 60.7508 -90.8803 63.6143 -252.591 PRESSAVG: 317400 -46.5413 37.4646 39.3196 37.4646 25.6296 35.4955 39.3197 35.4956 -21.8593 GPRESSAVG: 317400 -45.3498 37.2531 37.9398 36.487 25.8817 32.5625 39.218 39.0961 -23.2805 TIMING: 317400 CPU: 1002.38, 0.00314671/step Wall: 1002.38, 0.00314671/step, 4.09299 hours remaining, 233.039062 MB of memory in use. ENERGY: 317400 4070.5281 20703.4124 14488.0088 248.8624 -203152.1128 2625.5620 0.0000 0.0000 52138.8111 -108876.9279 299.6425 -161015.7390 -108514.2314 300.4947 -112.0989 -86.3909 761878.1536 -14.2570 -14.2495 PRESSURE: 317600 563.346 196.293 126.52 196.292 201.61 119.952 126.519 119.951 298.671 GPRESSURE: 317600 550.366 106.069 98.8969 155.688 275.316 132.052 -52.0361 110.696 320.859 PRESSAVG: 317600 26.6046 -0.39159 37.2261 -0.391569 -9.8655 64.6337 37.2261 64.6337 17.8121 GPRESSAVG: 317600 26.8214 -1.37795 38.7101 -0.197004 -10.9763 65.6264 36.5517 62.5796 18.6764 TIMING: 317600 CPU: 1003.01, 0.00315109/step Wall: 1003.01, 0.00315109/step, 4.09852 hours remaining, 233.039062 MB of memory in use. ENERGY: 317600 3960.8123 20614.7600 14452.6527 240.4513 -203145.5815 2724.4732 0.0000 0.0000 52315.0119 -108837.4201 300.6551 -161152.4320 -108479.3997 301.1264 354.5427 382.1802 760930.6837 11.5171 11.5072 PRESSURE: 317800 -333.493 -114.123 36.5891 -114.124 -163.028 -40.6197 36.5898 -40.6202 -317.902 GPRESSURE: 317800 -258.216 -74.359 37.4843 -159.206 -225.726 2.62606 19.4665 -76.3856 -230.359 PRESSAVG: 317800 -21.3903 24.6058 38.8906 24.6058 10.8766 56.8314 38.8906 56.8314 -6.73246 GPRESSAVG: 317800 -22.0008 25.4641 39.7682 22.9846 12.0988 55.7262 37.9938 58.0573 -6.93422 TIMING: 317800 CPU: 1003.64, 0.00312819/step Wall: 1003.64, 0.00312819/step, 4.06856 hours remaining, 233.039062 MB of memory in use. ENERGY: 317800 4072.3151 20569.5692 14440.6018 233.4016 -202753.5976 2488.3748 0.0000 0.0000 52167.3079 -108782.0272 299.8062 -160949.3351 -108429.9714 300.9411 -271.4742 -238.1002 763111.4542 -5.7487 -5.6121 PRESSURE: 318000 -113.066 -162.886 154.475 -162.886 9.50885 -116.386 154.475 -116.386 108.102 GPRESSURE: 318000 -91.1886 -93.4814 317.898 -151.004 71.7493 -198.939 82.2493 -43.2375 100.558 PRESSAVG: 318000 46.4856 41.4467 -36.6406 41.4467 -0.783351 15.4794 -36.6405 15.4794 -10.8337 GPRESSAVG: 318000 45.226 42.2205 -38.0034 43.58 0.685969 15.9154 -35.2951 17.0658 -10.676 TIMING: 318000 CPU: 1004.27, 0.00315885/step Wall: 1004.27, 0.00315885/step, 4.10826 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: 318000 4008.1453 20573.8391 14435.4076 250.2805 -203024.1127 2596.8852 0.0000 0.0000 52360.0518 -108799.5032 300.9139 -161159.5549 -108431.9495 300.6471 1.5148 27.0396 762126.8050 11.6229 11.7453 PRESSURE: 318200 -4.86426 -145.622 -45.7388 -145.622 -98.6196 -55.6302 -45.7384 -55.6298 -155.247 GPRESSURE: 318200 -38.0086 -121.043 -33.7407 -194.856 2.55142 -45.6326 102.764 -122.341 -124.163 PRESSAVG: 318200 12.5495 12.2458 61.1258 12.2458 -12.0471 -45.2171 61.1258 -45.217 -23.8232 GPRESSAVG: 318200 12.1515 11.3414 61.8272 11.5401 -11.4067 -45.263 62.4346 -45.5859 -23.6579 TIMING: 318200 CPU: 1004.9, 0.0031444/step Wall: 1004.9, 0.0031444/step, 4.0893 hours remaining, 233.039062 MB of memory in use. ENERGY: 318200 4025.8419 20667.3307 14402.9291 251.1525 -203012.3110 2634.1568 0.0000 0.0000 52342.9771 -108687.9230 300.8158 -161030.9000 -108331.7614 301.0689 -86.2437 -53.2067 762946.3756 -7.7736 -7.6377 PRESSURE: 318400 -242.264 -56.217 137.946 -56.2177 -197.613 76.8934 137.947 76.8932 -340.821 GPRESSURE: 318400 -206.312 58.3935 99.8729 -10.8213 -187.319 108.305 41.8937 -29.3688 -295.171 PRESSAVG: 318400 18.7844 24.5463 20.9708 24.5464 -48.8814 -26.2211 20.9708 -26.2212 35.4855 GPRESSAVG: 318400 18.6752 24.6192 21.2405 24.976 -49.6619 -28.5585 19.3177 -24.7719 36.5683 TIMING: 318400 CPU: 1005.53, 0.00317713/step Wall: 1005.53, 0.00317713/step, 4.13168 hours remaining, 233.039062 MB of memory in use. ENERGY: 318400 3985.9921 20778.2097 14457.3342 251.6590 -203280.3171 2689.8052 0.0000 0.0000 52239.8197 -108877.4972 300.2230 -161117.3169 -108514.9544 300.4742 -260.2323 -229.6006 763191.5986 1.7962 1.8606 PRESSURE: 318600 12.0905 -44.7221 -29.1112 -44.7221 -345.976 -226.829 -29.1123 -226.828 -235.191 GPRESSURE: 318600 -48.0743 142.194 -61.263 -134.868 -222.596 -157.853 6.80247 -116.77 -219.219 PRESSAVG: 318600 6.24115 20.2467 -17.6768 20.2467 -34.3742 -36.6841 -17.6768 -36.6842 -1.24487 GPRESSAVG: 318600 7.22371 19.4639 -17.1751 19.198 -34.5827 -34.3083 -16.3332 -39.287 -2.06829 TIMING: 318600 CPU: 1006.17, 0.00319703/step Wall: 1006.17, 0.00319703/step, 4.15738 hours remaining, 233.039062 MB of memory in use. ENERGY: 318600 4036.1930 20639.5099 14439.1161 234.6911 -203163.7927 2698.4733 0.0000 0.0000 52206.3340 -108909.4754 300.0305 -161115.8093 -108549.5012 300.7889 -189.6924 -163.2963 761993.8425 -9.7926 -9.8091 PRESSURE: 318800 229.485 -61.8895 -5.36896 -61.8898 -63.9076 -262.313 -5.36909 -262.313 -167.682 GPRESSURE: 318800 327.036 -5.93894 -39.1854 -43.0032 -16.7585 -212.082 -81.4003 -215.547 -221.198 PRESSAVG: 318800 43.0007 20.8324 -13.9584 20.8325 -33.6391 5.67892 -13.9584 5.67892 12.6426 GPRESSAVG: 318800 43.156 19.772 -14.4037 23.2047 -33.1458 6.0457 -15.5109 7.56117 11.5141 TIMING: 318800 CPU: 1006.81, 0.00317606/step Wall: 1006.81, 0.00317606/step, 4.12993 hours remaining, 233.039062 MB of memory in use. ENERGY: 318800 3953.0982 20603.7183 14490.4340 242.9628 -203439.9036 2695.0818 0.0000 0.0000 52167.1501 -109287.4585 299.8053 -161454.6085 -108917.1505 300.2226 -0.7017 29.6932 762967.5562 7.3347 7.1748 PRESSURE: 319000 5.22621 -64.9211 340.278 -64.9221 -246.792 175.746 340.278 175.746 -21.409 GPRESSURE: 319000 12.8461 -153.451 284.147 -16.9805 -283.916 230.571 221.196 90.2831 86.2415 PRESSAVG: 319000 47.7622 11.0164 78.3076 11.0164 -86.9761 8.91323 78.3076 8.91313 -4.06648 GPRESSAVG: 319000 47.2582 10.7511 77.6803 11.2658 -87.6462 7.65502 80.1076 8.43508 -2.46009 TIMING: 319000 CPU: 1007.44, 0.00317324/step Wall: 1007.44, 0.00317324/step, 4.12609 hours remaining, 233.039062 MB of memory in use. ENERGY: 319000 3954.8580 20496.0177 14531.0735 251.6592 -203644.1956 2757.1178 0.0000 0.0000 52190.9793 -109462.4901 299.9423 -161653.4695 -109099.3118 299.7297 -87.6582 -61.6096 761845.6614 -14.4268 -14.2827 PRESSURE: 319200 199.545 -78.2818 -27.0464 -78.2822 73.5769 36.523 -27.0465 36.5235 124.386 GPRESSURE: 319200 235.637 -69.3575 -93.3434 -133.837 76.1303 54.5581 -42.1783 57.0813 173.656 PRESSAVG: 319200 47.0282 45.7633 34.1145 45.7632 -12.6405 7.15196 34.1145 7.15198 2.32769 GPRESSAVG: 319200 48.1473 47.4382 34.0565 44.7559 -12.5824 7.33649 31.9023 5.15056 0.901383 TIMING: 319200 CPU: 1008.08, 0.00317332/step Wall: 1008.08, 0.00317332/step, 4.12602 hours remaining, 233.039062 MB of memory in use. ENERGY: 319200 3975.5434 20681.7559 14481.9814 250.9430 -203575.5253 2574.0891 0.0000 0.0000 52101.3653 -109509.8472 299.4273 -161611.2125 -109144.7896 299.6193 132.5025 161.8079 758560.1022 12.2385 12.1554 PRESSURE: 319400 174.909 -188.35 -80.8272 -188.35 -52.1803 11.2935 -80.8268 11.2926 133.308 GPRESSURE: 319400 229.124 -213.779 -22.5689 -212.776 -27.1357 -27.4528 -178.287 3.29179 145.494 PRESSAVG: 319400 -24.3506 -15.1893 5.99817 -15.1893 32.0989 -10.2813 5.99822 -10.2813 -8.62791 GPRESSAVG: 319400 -24.496 -16.3712 6.90592 -15.0543 31.6739 -8.46364 6.39966 -9.50247 -8.52848 TIMING: 319400 CPU: 1008.71, 0.00315761/step Wall: 1008.71, 0.00315761/step, 4.10542 hours remaining, 233.039062 MB of memory in use. ENERGY: 319400 4079.5741 20534.6509 14511.3497 264.3629 -203490.5399 2557.6533 0.0000 0.0000 52253.5360 -109289.4129 300.3018 -161542.9490 -108927.8937 299.9443 85.3456 115.8276 760722.6438 -0.2932 -0.4502 PRESSURE: 319600 -285.098 520.314 110.903 520.315 286.554 -36.6854 110.902 -36.6854 18.2095 GPRESSURE: 319600 -231.192 510.084 114.714 515.737 382.711 -92.6248 232.948 -109.969 -53.1855 PRESSAVG: 319600 -14.9177 38.3017 34.2804 38.3017 24.0574 -38.7094 34.2804 -38.7095 -1.7894 GPRESSAVG: 319600 -16.5029 38.8705 33.639 36.508 25.2007 -40.214 35.6099 -40.9916 -1.38241 TIMING: 319600 CPU: 1009.34, 0.00316674/step Wall: 1009.34, 0.00316674/step, 4.11712 hours remaining, 233.039062 MB of memory in use. ENERGY: 319600 4025.5929 20466.5362 14469.1709 246.4521 -203290.5159 2538.9201 0.0000 0.0000 52156.9164 -109386.9274 299.7465 -161543.8438 -109032.1280 299.6989 6.5550 32.7781 760359.3221 2.4501 2.4385 PRESSURE: 319800 -121.95 40.7963 100.537 40.7963 -61.2902 10.7549 100.537 10.7553 -242.75 GPRESSURE: 319800 -13.3492 -13.1127 142.882 -63.5645 -155.137 53.3129 87.0078 169.022 -178.786 PRESSAVG: 319800 -16.7209 18.8314 19.8065 18.8313 12.361 -21.8602 19.8065 -21.8602 9.01744 GPRESSAVG: 319800 -15.1348 16.9799 20.3039 19.818 10.6812 -22.7264 17.9906 -19.7167 9.05598 TIMING: 319800 CPU: 1009.97, 0.00316897/step Wall: 1009.97, 0.00316897/step, 4.11984 hours remaining, 233.039062 MB of memory in use. ENERGY: 319800 3931.0771 20460.7805 14501.6044 226.1516 -203119.4493 2346.8252 0.0000 0.0000 51848.5128 -109804.4978 297.9741 -161653.0106 -109434.9495 298.4818 -141.9967 -115.7576 760803.9472 1.5525 1.5341 PRESSURE: 320000 157.455 -206.734 63.0417 -206.734 108.428 -268.817 63.0408 -268.818 161.015 GPRESSURE: 320000 353.629 -150.145 102.326 -99.9704 61.1777 -170.067 -8.11287 -80.6424 108.826 PRESSAVG: 320000 -27.1157 51.9956 25.4274 51.9955 49.0527 -50.5537 25.4274 -50.5536 3.91847 GPRESSAVG: 320000 -25.9408 53.6689 25.5794 52.7058 48.5872 -47.632 25.5586 -49.1609 3.46029 TIMING: 320000 CPU: 1010.61, 0.00318155/step Wall: 1010.61, 0.00318155/step, 4.13602 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: 320000 3922.1369 20478.7930 14387.1472 248.1115 -203639.1141 2786.3363 0.0000 0.0000 52068.9273 -109747.6620 299.2408 -161816.5893 -109394.2224 299.0903 142.2992 174.5442 760755.1441 8.6185 8.7022 PRESSURE: 320200 100.776 66.1555 -155.316 66.1561 -235.481 78.5032 -155.316 78.5024 -188.168 GPRESSURE: 320200 113.994 -53.061 -125.044 46.2874 -181.158 145.948 -207.655 14.3013 -144.549 PRESSAVG: 320200 109.59 -2.55066 11.9371 -2.55077 -77.734 -23.4636 11.9372 -23.4636 3.67534 GPRESSAVG: 320200 107.933 -5.66826 12.4573 -0.250477 -76.9708 -23.5964 13.5997 -23.8953 3.99578 TIMING: 320200 CPU: 1011.24, 0.00315064/step Wall: 1011.24, 0.00315064/step, 4.09565 hours remaining, 233.039062 MB of memory in use. ENERGY: 320200 3935.7676 20445.5605 14436.9612 247.9862 -203287.8004 2502.1633 0.0000 0.0000 51855.6717 -109863.6898 298.0153 -161719.3615 -109490.7081 298.4612 -107.6246 -70.5708 762657.9763 11.8439 11.6526 LDB: ============= START OF LOAD BALANCING ============== 1023.77 LDB: ============== END OF LOAD BALANCING =============== 1023.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1023.78 LDB: ============= START OF LOAD BALANCING ============== 1024.09 LDB: Largest compute 7051 load 0.029431 is 15.1% of average load 0.195041 LDB: Average compute 0.004373 is 2.2% of average load 0.195041 LDB: TIME 1024.09 LOAD: AVG 0.195041 MAX 0.214281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.324 MB LDB: TIME 1024.09 LOAD: AVG 0.195041 MAX 0.214281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.324 MB LDB: TIME 1024.09 LOAD: AVG 0.195041 MAX 0.214281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.324 MB LDB: ============== END OF LOAD BALANCING =============== 1024.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1024.1 PRESSURE: 320400 91.2251 -44.3019 -18.189 -44.3028 -101.548 -42.7175 -18.1875 -42.7178 -350.518 GPRESSURE: 320400 78.302 -56.4201 -37.2884 30.7868 -55.3961 -38.9625 58.5278 -140.703 -297.029 PRESSAVG: 320400 12.9299 21.8418 6.05691 21.8418 -25.3594 6.27947 6.0569 6.27953 4.69708 GPRESSAVG: 320400 12.7521 24.3452 6.47074 18.835 -24.4705 6.48997 4.5634 4.08137 3.94516 TIMING: 320400 CPU: 1011.88, 0.00320712/step Wall: 1011.88, 0.00320712/step, 4.16889 hours remaining, 233.605469 MB of memory in use. ENERGY: 320400 3976.5284 20452.8978 14415.6360 237.6498 -203094.2418 2305.5424 0.0000 0.0000 51880.6703 -109825.3171 298.1589 -161705.9874 -109464.3955 298.6082 -120.2803 -91.3743 762017.7521 -2.5775 -2.5911 PRESSURE: 320600 -134.988 52.1641 93.7375 52.1646 171.334 82.721 93.7375 82.7216 -25.3911 GPRESSURE: 320600 -88.5774 19.9423 140.99 112.86 128.85 34.8482 144.026 69.9191 45.2855 PRESSAVG: 320600 18.9641 17.0334 71.9012 17.0334 23.9647 -12.3602 71.9011 -12.3601 14.7304 GPRESSAVG: 320600 19.2144 18.0028 70.7355 16.7807 21.6814 -13.2062 72.4018 -11.5374 16.4916 TIMING: 320600 CPU: 1012.52, 0.00320606/step Wall: 1012.52, 0.00320606/step, 4.16735 hours remaining, 233.878906 MB of memory in use. ENERGY: 320600 3942.7276 20548.5731 14481.3563 233.0921 -203285.8080 2437.8917 0.0000 0.0000 51879.5973 -109762.5700 298.1528 -161642.1673 -109399.9342 298.2214 3.6517 28.5193 760852.9231 19.2197 19.1291 PRESSURE: 320800 3.14628 62.6095 101.017 62.6089 -29.5572 -0.598906 101.017 -0.599695 -412.544 GPRESSURE: 320800 21.8156 103.31 65.9274 -94.8992 -10.1765 23.1945 103.744 -47.7186 -362.73 PRESSAVG: 320800 -35.2493 29.7552 2.1941 29.7551 31.0457 -51.1815 2.19416 -51.1815 15.5815 GPRESSAVG: 320800 -35.6441 29.4399 2.40171 27.3373 33.1278 -52.0235 1.88976 -51.3294 13.5896 TIMING: 320800 CPU: 1013.17, 0.0032169/step Wall: 1013.17, 0.0032169/step, 4.18125 hours remaining, 233.878906 MB of memory in use. ENERGY: 320800 3915.8814 20544.8848 14428.5728 229.9080 -203930.9899 2895.3158 0.0000 0.0000 52020.8955 -109895.5316 298.9648 -161916.4270 -109539.0472 298.2854 -146.3183 -117.0304 760093.0994 3.7926 3.6911 PRESSURE: 321000 211.06 -171.379 -54.7733 -171.379 -62.2226 127.043 -54.7729 127.044 -60.8829 GPRESSURE: 321000 173.972 -214.536 -137.62 -200.805 28.656 67.5742 -8.26606 245.094 -29.1884 PRESSAVG: 321000 25.5263 11.5545 -20.9606 11.5545 -21.0655 -15.946 -20.9606 -15.946 -7.50258 GPRESSAVG: 321000 26.5871 11.3554 -21.0688 13.2928 -21.5485 -15.4163 -22.4264 -16.1314 -8.42761 TIMING: 321000 CPU: 1013.81, 0.0032189/step Wall: 1013.81, 0.0032189/step, 4.18367 hours remaining, 233.878906 MB of memory in use. ENERGY: 321000 4009.0363 20546.0280 14420.1673 254.0528 -203680.5036 2791.2504 0.0000 0.0000 51750.4735 -109909.4954 297.4107 -161659.9688 -109556.8766 298.8161 29.3181 57.8133 761146.2084 -1.0139 -1.1297 PRESSURE: 321200 246.27 -18.0757 32.9575 -18.075 -166.579 -43.2639 32.9559 -43.2644 181.065 GPRESSURE: 321200 254.553 102.991 71.1675 72.6627 -30.6786 13.9523 71.6384 -35.4953 124.863 PRESSAVG: 321200 -13.5868 79.0645 18.1845 79.0645 12.8609 9.03429 18.1846 9.03431 4.41409 GPRESSAVG: 321200 -14.2826 79.4754 17.2033 80.1212 12.9237 8.84537 20.3445 11.1802 4.84433 TIMING: 321200 CPU: 1014.45, 0.00320458/step Wall: 1014.45, 0.00320458/step, 4.16489 hours remaining, 233.878906 MB of memory in use. ENERGY: 321200 3990.7457 20496.0540 14419.5191 235.6812 -203749.2524 2845.2369 0.0000 0.0000 51791.9325 -109970.0830 297.6489 -161762.0156 -109603.6088 298.1081 86.9187 116.2455 760062.2327 1.2294 1.1618 PRESSURE: 321400 -383.22 -63.8852 -23.1145 -63.8862 -134.591 -72.3006 -23.115 -72.3012 42.2983 GPRESSURE: 321400 -314.657 -24.7403 13.0251 -66.2231 -124.584 -20.2485 51.9104 -74.4379 62.4288 PRESSAVG: 321400 -56.93 14.4576 -19.3971 14.4576 82.0223 -15.9303 -19.3971 -15.9304 29.3697 GPRESSAVG: 321400 -57.4681 13.2112 -19.2051 14.4954 81.1873 -14.9776 -19.4701 -16.6599 30.4379 TIMING: 321400 CPU: 1015.09, 0.00319405/step Wall: 1015.09, 0.00319405/step, 4.15102 hours remaining, 233.878906 MB of memory in use. ENERGY: 321400 3921.3709 20424.0863 14417.5614 235.9535 -202995.2632 2175.9382 0.0000 0.0000 51873.3425 -109947.0105 298.1168 -161820.3531 -109585.7677 297.9416 -158.5044 -125.6041 762265.9055 18.1540 18.0524 PRESSURE: 321600 -181.254 19.7846 280.955 19.7841 -374.28 -4.68951 280.954 -4.68921 -36.9374 GPRESSURE: 321600 -290.125 48.1056 231.146 42.7675 -211.281 -28.311 296.537 37.9525 -18.8783 PRESSAVG: 321600 -9.81821 9.03524 30.2382 9.03521 16.6363 -12.6019 30.2381 -12.6019 1.18175 GPRESSAVG: 321600 -10.057 12.1911 29.8687 5.26617 16.7581 -13.5511 28.5396 -11.9809 1.45311 TIMING: 321600 CPU: 1015.73, 0.00319066/step Wall: 1015.73, 0.00319066/step, 4.14644 hours remaining, 233.878906 MB of memory in use. ENERGY: 321600 3922.2020 20447.4720 14483.1066 240.0596 -203493.1672 2672.9194 0.0000 0.0000 51903.7432 -109823.6644 298.2915 -161727.4076 -109462.0477 298.4582 -197.4906 -173.4280 761144.7148 2.6666 2.7181 PRESSURE: 321800 -337.526 -62.5333 -186.519 -62.5335 -192.234 -22.9885 -186.519 -22.9884 -420.096 GPRESSURE: 321800 -267.465 15.6925 -200.155 -40.8152 -183.313 -54.2449 -194.527 -57.4048 -401.522 PRESSAVG: 321800 -41.5456 12.8772 -14.949 12.8772 31.8107 4.74057 -14.9489 4.74058 18.1392 GPRESSAVG: 321800 -41.8731 11.8583 -15.0516 16.6586 33.8277 3.60998 -13.4896 5.30331 16.471 TIMING: 321800 CPU: 1016.36, 0.00317219/step Wall: 1016.36, 0.00317219/step, 4.12226 hours remaining, 233.878906 MB of memory in use. ENERGY: 321800 4041.7938 20482.3630 14490.5790 247.7827 -203429.4993 2562.6319 0.0000 0.0000 51902.0712 -109702.2776 298.2819 -161604.3488 -109350.5941 298.3601 -316.6185 -284.1002 762507.6475 2.8014 2.8085 PRESSURE: 322000 198.171 -163.276 -65.8723 -163.276 157.602 65.0287 -65.8715 65.0293 -296.892 GPRESSURE: 322000 237.954 -145.104 -37.1241 -215.726 137.613 103.054 19.9176 51.6649 -257.267 PRESSAVG: 322000 21.3135 -11.834 -19.3701 -11.834 -10.4584 -8.18605 -19.3701 -8.18601 -1.25891 GPRESSAVG: 322000 22.3664 -14.9596 -17.0088 -9.66268 -12.1635 -5.71605 -21.1512 -8.2304 -0.575907 TIMING: 322000 CPU: 1017, 0.00317348/step Wall: 1017, 0.00317348/step, 4.12376 hours remaining, 233.878906 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: 322000 3974.2240 20483.8383 14457.4369 233.7125 -203789.1971 2795.5856 0.0000 0.0000 52002.3086 -109842.0912 298.8580 -161844.3998 -109482.8727 298.3195 19.6271 39.4334 761965.0759 3.1987 3.2090 PRESSURE: 322200 -95.0825 90.1166 -190.379 90.1154 -39.2759 39.5085 -190.379 39.5087 -440.288 GPRESSURE: 322200 -40.7783 211.569 -114.01 15.7832 -60.0266 34.6821 -98.7225 46.331 -391.892 PRESSAVG: 322200 35.9874 -3.99517 -16.6625 -3.99515 -3.53125 -1.26409 -16.6625 -1.26413 7.78046 GPRESSAVG: 322200 35.6767 -2.0387 -15.9133 -5.68628 -4.06564 -1.58109 -16.4374 -2.39979 8.11992 TIMING: 322200 CPU: 1017.63, 0.00316157/step Wall: 1017.63, 0.00316157/step, 4.1081 hours remaining, 233.878906 MB of memory in use. ENERGY: 322200 3963.0645 20362.5070 14464.1435 254.0325 -203187.2847 2525.5615 0.0000 0.0000 51730.3152 -109887.6604 297.2948 -161617.9756 -109523.3108 298.5292 -191.5489 -164.2324 762075.7251 13.4122 13.2437 PRESSURE: 322400 395.446 212.439 12.7794 212.438 72.2196 224.702 12.7798 224.702 230.759 GPRESSURE: 322400 378.67 162.633 3.26288 217.964 101.718 218.805 125.983 200.094 285.465 PRESSAVG: 322400 18.986 -3.86469 17.1626 -3.86469 13.963 -3.03546 17.1626 -3.03541 -3.37483 GPRESSAVG: 322400 17.7797 -2.19693 14.8666 -3.26214 15.5108 -2.95824 18.7491 -1.84369 -4.07258 TIMING: 322400 CPU: 1018.26, 0.00316026/step Wall: 1018.26, 0.00316026/step, 4.10622 hours remaining, 233.863281 MB of memory in use. ENERGY: 322400 3916.7825 20577.8943 14454.9895 229.4763 -203602.0206 2625.9866 0.0000 0.0000 51797.0463 -109999.8450 297.6783 -161796.8913 -109640.4417 298.5054 232.8081 255.2842 759083.0159 9.8580 9.7393 PRESSURE: 322600 -538.801 -15.3413 78.0481 -15.3414 -307.277 -109.674 78.0486 -109.674 60.8655 GPRESSURE: 322600 -500.043 12.0425 66.1218 -87.1844 -215.221 -195.378 47.5543 -188.352 19.9394 PRESSAVG: 322600 4.56822 17.051 14.005 17.051 -0.630491 -53.9909 14.0051 -53.991 -2.85887 GPRESSAVG: 322600 6.11999 13.3169 13.6199 17.6082 -2.71887 -54.1942 14.4868 -54.3777 -1.74545 TIMING: 322600 CPU: 1018.9, 0.00317895/step Wall: 1018.9, 0.00317895/step, 4.13034 hours remaining, 233.863281 MB of memory in use. ENERGY: 322600 3944.4164 20457.0781 14391.3103 239.7075 -203623.1401 2483.5520 0.0000 0.0000 51937.2343 -110169.8415 298.4840 -162107.0758 -109798.8280 297.7390 -261.7375 -231.7747 760673.8638 0.3596 0.5519 PRESSURE: 322800 30.9951 58.8709 -21.2316 58.8706 -156.755 -246.041 -21.2322 -246.041 -91.6956 GPRESSURE: 322800 -25.081 111.385 -64.831 -9.54831 -76.857 -199.441 1.20195 -248.84 -43.5476 PRESSAVG: 322800 -5.3721 38.1125 -51.0795 38.1126 13.4572 -50.4849 -51.0795 -50.485 14.6434 GPRESSAVG: 322800 -5.91338 40.4015 -51.321 36.7347 15.341 -50.9441 -51.8011 -48.9719 13.5724 TIMING: 322800 CPU: 1019.54, 0.00319242/step Wall: 1019.54, 0.00319242/step, 4.14767 hours remaining, 233.878906 MB of memory in use. ENERGY: 322800 3994.1771 20295.4435 14406.4958 235.2052 -203168.2083 2100.2282 0.0000 0.0000 51831.9869 -110304.6716 297.8791 -162136.6585 -109948.3470 297.3878 -72.4851 -48.4952 760203.6888 7.5762 7.6667 PRESSURE: 323000 261.562 58.1446 257.471 58.144 98.9166 94.2913 257.471 94.2901 187.793 GPRESSURE: 323000 260.352 87.0335 296.755 25.2286 157.556 47.1385 172.715 169.534 197.622 PRESSAVG: 323000 50.7378 -28.1589 -18.3558 -28.1589 -47.1974 38.702 -18.3559 38.7019 13.4242 GPRESSAVG: 323000 51.0051 -29.1805 -17.3123 -27.9709 -48.0839 39.3569 -19.0956 38.0464 13.4212 TIMING: 323000 CPU: 1020.17, 0.00316825/step Wall: 1020.17, 0.00316825/step, 4.11608 hours remaining, 233.878906 MB of memory in use. ENERGY: 323000 4024.8036 20391.3134 14394.1787 252.2175 -203521.0910 2489.3767 0.0000 0.0000 51606.0354 -110363.1656 296.5806 -161969.2010 -110008.8635 297.3189 182.7571 205.1767 759784.3755 5.6549 5.4475 PRESSURE: 323200 -280.227 34.7053 111.842 34.7056 -438.831 257.534 111.842 257.533 -94.4602 GPRESSURE: 323200 -142.042 13.9934 171.032 51.4856 -440.455 173.988 216.603 115.646 -141.187 PRESSAVG: 323200 16.5101 -22.721 -13.0568 -22.721 -12.6754 69.0958 -13.0569 69.0959 -2.57121 GPRESSAVG: 323200 17.8164 -22.5101 -11.6546 -22.6063 -12.6872 68.2793 -15.264 67.9857 -3.26628 TIMING: 323200 CPU: 1020.8, 0.00316254/step Wall: 1020.8, 0.00316254/step, 4.10849 hours remaining, 233.878906 MB of memory in use. ENERGY: 323200 3972.5316 20303.0049 14430.9371 244.7852 -203102.4340 2215.2243 0.0000 0.0000 51996.3912 -109939.5598 298.8240 -161935.9510 -109567.8918 297.2850 -271.1725 -241.2283 761988.5603 0.4212 0.6210 PRESSURE: 323400 -109.067 -203.888 106.838 -203.888 -255.974 -85.7348 106.838 -85.7359 62.702 GPRESSURE: 323400 -45.9092 -139.91 74.6084 -250.619 -344.487 -186.252 66.5973 -75.3888 172.885 PRESSAVG: 323400 59.8825 13.5473 35.7376 13.5473 -55.8931 2.1012 35.7377 2.10115 18.8893 GPRESSAVG: 323400 58.2169 13.7255 35.6756 15.8493 -55.8393 3.20023 36.6756 3.87448 20.6363 TIMING: 323400 CPU: 1021.43, 0.00315375/step Wall: 1021.43, 0.00315375/step, 4.0969 hours remaining, 233.878906 MB of memory in use. ENERGY: 323400 3914.6101 20538.8569 14372.6781 242.4173 -203107.2889 2238.5254 0.0000 0.0000 52014.6430 -109785.5580 298.9289 -161800.2010 -109416.0626 298.2132 -100.7797 -72.5040 761667.1168 7.6262 7.6713 PRESSURE: 323600 211.322 59.5394 130.322 59.5394 -412.505 154.778 130.323 154.779 310.198 GPRESSURE: 323600 219.348 -26.361 114.553 17.5216 -380.99 165.436 29.9638 60.3527 329.534 PRESSAVG: 323600 33.5783 -25.4238 -33.7955 -25.4238 -49.015 -28.4546 -33.7954 -28.4546 13.9349 GPRESSAVG: 323600 33.9492 -24.6712 -33.8842 -27.6979 -49.8186 -30.0215 -31.9686 -30.1788 14.1813 TIMING: 323600 CPU: 1022.07, 0.00318929/step Wall: 1022.07, 0.00318928/step, 4.14288 hours remaining, 233.878906 MB of memory in use. ENERGY: 323600 3933.3650 20599.8118 14517.1018 258.3378 -203535.0596 2436.3305 0.0000 0.0000 52261.2936 -109528.8191 300.3464 -161790.1127 -109163.7961 298.7485 36.3381 55.9638 761000.3595 -0.5006 -0.5627 PRESSURE: 323800 73.0137 155.114 -24.8661 155.115 -36.0561 20.8719 -24.8662 20.8718 189.284 GPRESSURE: 323800 95.4668 115.861 53.0589 93.0393 15.7781 121.612 -4.82238 132.101 206.549 PRESSAVG: 323800 21.6159 -45.2642 9.0314 -45.2641 -21.5689 7.85229 9.03145 7.85227 4.90215 GPRESSAVG: 323800 20.2777 -47.5826 9.04072 -43.864 -20.1146 9.30455 8.93979 8.81097 3.87778 TIMING: 323800 CPU: 1022.71, 0.00318137/step Wall: 1022.71, 0.00318137/step, 4.13243 hours remaining, 233.878906 MB of memory in use. ENERGY: 323800 3975.4251 20493.0706 14492.1994 243.9644 -203459.6827 2763.5835 0.0000 0.0000 51991.7427 -109499.6971 298.7973 -161491.4398 -109135.8542 299.0947 75.4140 105.9311 761700.3696 1.6497 1.3470 PRESSURE: 324000 -214.831 117.206 -136.408 117.205 -264.172 -79.5036 -136.406 -79.5035 -101.173 GPRESSURE: 324000 -108.007 62.1124 -157.907 118.317 -222.805 -125.399 -183.286 -69.3269 -178.692 PRESSAVG: 324000 -100.201 -53.1341 -18.7516 -53.1341 60.8835 12.5229 -18.7516 12.5229 -1.53994 GPRESSAVG: 324000 -99.1987 -50.9367 -20.2403 -53.9459 59.3324 12.5632 -18.3438 11.7171 -1.03197 TIMING: 324000 CPU: 1023.34, 0.00317208/step Wall: 1023.34, 0.00317208/step, 4.12018 hours remaining, 233.878906 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: 324000 3986.8926 20570.1114 14456.8047 250.7689 -203249.4694 2483.4352 0.0000 0.0000 51844.7783 -109656.6783 297.9527 -161501.4566 -109303.3289 299.0402 -193.3920 -169.8343 759488.3305 -13.6193 -13.6328 PRESSURE: 324200 -164.433 -60.0523 -120.485 -60.0518 63.4175 -60.7856 -120.486 -60.7858 278.422 GPRESSURE: 324200 -1.33845 21.8706 -174.775 -82.3689 101.957 -77.681 -76.7631 -74.9037 173.728 PRESSAVG: 324200 -43.4317 13.7421 3.9462 13.7421 25.6767 -21.7608 3.94622 -21.7608 31.897 GPRESSAVG: 324200 -43.9843 14.8719 3.19488 14.5365 26.5458 -21.0652 4.79819 -20.9394 32.1083 TIMING: 324200 CPU: 1023.97, 0.00316012/step Wall: 1023.97, 0.00316012/step, 4.10447 hours remaining, 233.878906 MB of memory in use. ENERGY: 324200 4050.7413 20315.0176 14390.7180 227.7722 -203394.5619 2564.8217 0.0000 0.0000 52286.4307 -109559.0605 300.4908 -161845.4912 -109184.4995 299.0161 59.1352 91.4489 759766.0532 4.7140 4.8900 LDB: ============= START OF LOAD BALANCING ============== 1036.51 LDB: ============== END OF LOAD BALANCING =============== 1036.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1036.51 LDB: ============= START OF LOAD BALANCING ============== 1036.83 LDB: Largest compute 7042 load 0.029228 is 15.0% of average load 0.194963 LDB: Average compute 0.004391 is 2.3% of average load 0.194963 LDB: TIME 1036.84 LOAD: AVG 0.194963 MAX 0.213678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 1036.84 LOAD: AVG 0.194963 MAX 0.213678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: TIME 1036.84 LOAD: AVG 0.194963 MAX 0.213678 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.281 MB LDB: ============== END OF LOAD BALANCING =============== 1036.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1036.84 PRESSURE: 324400 -106.355 -60.8286 -1.57009 -60.828 113.759 -48.2486 -1.56933 -48.2489 4.99963 GPRESSURE: 324400 -51.8082 -96.0869 15.7454 -48.0409 132.885 21.1542 55.7089 -43.9754 17.705 PRESSAVG: 324400 -51.56 -15.5524 21.8215 -15.5524 46.6233 -37.6401 21.8215 -37.6402 -31.4697 GPRESSAVG: 324400 -51.5734 -15.8292 24.1896 -16.1776 46.1744 -38.0272 19.8103 -38.1585 -30.7486 TIMING: 324400 CPU: 1024.63, 0.00326588/step Wall: 1024.63, 0.00326588/step, 4.24165 hours remaining, 232.324219 MB of memory in use. ENERGY: 324400 3989.9909 20574.0846 14400.5685 242.7111 -203147.7795 2493.8921 0.0000 0.0000 51882.2254 -109564.3069 298.1679 -161446.5323 -109209.6924 299.3873 4.1346 32.9274 760649.2767 -12.1355 -12.0492 PRESSURE: 324600 -64.2026 38.8294 101.049 38.8288 27.6087 199.111 101.048 199.111 -168.077 GPRESSURE: 324600 -57.401 -68.8268 58.9525 101.639 85.7599 229.948 166.182 139.914 -165.001 PRESSAVG: 324600 -25.7547 -38.6341 -14.4184 -38.6341 76.5501 11.8726 -14.4184 11.8725 22.8956 GPRESSAVG: 324600 -24.4522 -38.1925 -14.7351 -41.0933 76.2468 11.1625 -12.6501 11.9573 22.014 TIMING: 324600 CPU: 1025.26, 0.00314991/step Wall: 1025.26, 0.00314991/step, 4.09086 hours remaining, 232.324219 MB of memory in use. ENERGY: 324600 4063.4167 20406.1020 14421.0556 228.3310 -203294.3146 2536.4271 0.0000 0.0000 52033.3955 -109605.5868 299.0366 -161638.9823 -109237.8924 299.4814 -68.2235 -45.5472 759807.6086 24.5636 24.6029 PRESSURE: 324800 -491.688 -145.785 70.3759 -145.784 66.5461 111.493 70.3754 111.493 -201.337 GPRESSURE: 324800 -444.572 -85.5887 -57.2944 -4.48524 122.246 176.634 45.3696 86.1391 -217.692 PRESSAVG: 324800 -44.8315 -8.7077 20.254 -8.70762 57.1105 -10.0514 20.2539 -10.0514 3.7518 GPRESSAVG: 324800 -44.1926 -9.42182 18.6219 -6.44396 56.9953 -10.3879 21.9083 -9.20185 3.735 TIMING: 324800 CPU: 1025.89, 0.0031412/step Wall: 1025.89, 0.0031412/step, 4.07937 hours remaining, 232.324219 MB of memory in use. ENERGY: 324800 4075.1140 20332.9340 14482.7399 247.3005 -203070.5094 2258.3822 0.0000 0.0000 51879.6320 -109794.4068 298.1530 -161674.0388 -109428.0186 298.8372 -208.8262 -180.0062 759294.2398 5.3436 5.5126 PRESSURE: 325000 -5.0413 34.1523 -10.9392 34.1522 -209.682 71.3374 -10.9392 71.3366 -316.095 GPRESSURE: 325000 -47.6005 34.6018 28.1314 53.48 -30.3921 174.814 34.8926 -16.7079 -343.073 PRESSAVG: 325000 -51.0503 11.284 45.8579 11.2839 33.8806 59.373 45.8579 59.3729 19.3025 GPRESSAVG: 325000 -51.6857 11.229 47.2812 12.0629 34.3561 60.3156 44.2598 59.2915 19.7295 TIMING: 325000 CPU: 1026.52, 0.00317625/step Wall: 1026.52, 0.00317625/step, 4.12471 hours remaining, 232.324219 MB of memory in use. ENERGY: 325000 4051.0646 20361.3359 14511.6531 247.7899 -203227.6035 2434.7630 0.0000 0.0000 51855.6990 -109765.2980 298.0154 -161620.9970 -109411.5848 298.5240 -176.9394 -140.3552 759930.5076 0.7109 0.8000 PRESSURE: 325200 -291.819 -68.4627 255.303 -68.463 -376.082 152.301 255.302 152.302 108.605 GPRESSURE: 325200 -306.725 -69.6278 250.236 -18.8997 -277.59 131.006 263.19 178.635 97.3691 PRESSAVG: 325200 -54.0436 -10.6333 64.4276 -10.6333 16.0019 33.5309 64.4276 33.5309 -6.76112 GPRESSAVG: 325200 -53.9748 -10.7638 63.1719 -10.5203 16.0533 33.8566 65.1489 33.5611 -6.90114 TIMING: 325200 CPU: 1027.15, 0.00316425/step Wall: 1027.15, 0.00316425/step, 4.10895 hours remaining, 232.324219 MB of memory in use. ENERGY: 325200 4020.7362 20367.1014 14395.9509 254.6164 -203184.1438 2443.8341 0.0000 0.0000 51921.5461 -109780.3588 298.3938 -161701.9048 -109425.3482 298.6454 -186.4322 -162.3154 762945.0086 -14.9343 -14.9409 PRESSURE: 325400 -50.3165 -25.9078 287.449 -25.9081 388.224 191.622 287.448 191.622 -178.536 GPRESSURE: 325400 63.0421 -44.8755 348.701 -167.445 339.818 126.223 217.484 226.934 -152.695 PRESSAVG: 325400 -8.45852 -17.9975 59.3989 -17.9975 -6.59391 0.951197 59.3989 0.951235 16.9018 GPRESSAVG: 325400 -8.17737 -17.6006 61.4098 -20.3185 -6.90966 0.595562 56.4425 -1.03807 16.9801 TIMING: 325400 CPU: 1027.78, 0.00315565/step Wall: 1027.78, 0.00315565/step, 4.09761 hours remaining, 232.324219 MB of memory in use. ENERGY: 325400 3993.5849 20434.7555 14457.0055 261.8317 -203002.7094 2201.0045 0.0000 0.0000 52139.7076 -109514.8197 299.6476 -161654.5273 -109150.5843 298.9181 53.1238 83.3884 760795.6581 0.6164 0.6310 PRESSURE: 325600 166.242 4.48082 -210.368 4.4803 -208.036 -11.7052 -210.367 -11.7054 -447.871 GPRESSURE: 325600 81.9238 142.542 -176.582 -100.825 -61.3451 -106.54 -136.6 -80.314 -421.776 PRESSAVG: 325600 -60.766 -3.58828 74.3438 -3.58828 36.9036 16.3041 74.3439 16.304 -18.7546 GPRESSAVG: 325600 -61.643 -4.04546 72.7354 -0.972279 36.9752 16.1431 75.8056 17.0784 -17.9823 TIMING: 325600 CPU: 1028.41, 0.00312993/step Wall: 1028.41, 0.00312993/step, 4.06404 hours remaining, 232.324219 MB of memory in use. ENERGY: 325600 3975.4248 20522.2799 14416.5388 239.2102 -203166.8464 2441.2249 0.0000 0.0000 52100.0380 -109472.1299 299.4196 -161572.1679 -109109.0078 299.4078 -163.2217 -133.7325 761143.6489 -14.2057 -14.2167 PRESSURE: 325800 38.4853 64.2536 8.16866 64.2539 -67.235 -100.81 8.16874 -100.811 77.5138 GPRESSURE: 325800 85.4177 128.152 62.0556 28.184 40.0226 -88.1763 -6.33659 -71.655 9.57911 PRESSAVG: 325800 -18.0549 -1.69929 74.5509 -1.69932 25.938 -11.378 74.5509 -11.378 -0.778843 GPRESSAVG: 325800 -18.2669 -3.656 75.7039 0.490257 25.6644 -11.5335 74.521 -12.4747 -0.481412 TIMING: 325800 CPU: 1029.04, 0.0031245/step Wall: 1029.04, 0.0031245/step, 4.05682 hours remaining, 232.324219 MB of memory in use. ENERGY: 325800 3984.6749 20565.1139 14484.9213 247.0423 -203704.6597 2794.4433 0.0000 0.0000 52281.3095 -109347.1545 300.4614 -161628.4640 -108985.2950 299.9413 16.2547 45.0065 759094.8458 2.3681 2.3054 PRESSURE: 326000 -193.995 194.961 199.193 194.96 147.035 144.153 199.192 144.152 -392.807 GPRESSURE: 326000 -282.079 158.618 180.555 68.3137 239.668 160.185 118.479 214.944 -318.18 PRESSAVG: 326000 -9.83793 37.1318 67.5901 37.1317 13.0947 -25.4102 67.59 -25.4102 -14.2472 GPRESSAVG: 326000 -10.8383 40.7702 67.6251 34.8629 14.4746 -26.5959 64.788 -24.8402 -14.7389 TIMING: 326000 CPU: 1029.66, 0.00314066/step Wall: 1029.66, 0.00314066/step, 4.07762 hours remaining, 232.324219 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: 326000 3955.9970 20473.8374 14451.5371 246.0781 -202799.0701 2368.1380 0.0000 0.0000 51865.9794 -109437.5032 298.0745 -161303.4826 -109077.8618 299.2865 -146.5889 -120.1970 760815.0749 -3.6635 -3.7009 PRESSURE: 326200 -177.156 44.8597 132.797 44.8599 -222.531 121.389 132.798 121.389 -3.56188 GPRESSURE: 326200 -121.916 16.3042 91.0351 -0.124144 -103.06 137.248 121.033 -64.8346 -54.3452 PRESSAVG: 326200 -2.53593 109.749 43.6777 109.749 -7.38463 -12.4842 43.6778 -12.4842 12.4963 GPRESSAVG: 326200 -0.449716 106.518 41.8858 108.946 -8.51107 -13.0918 44.5028 -12.0207 11.5684 TIMING: 326200 CPU: 1030.29, 0.00314999/step Wall: 1030.29, 0.00314999/step, 4.08956 hours remaining, 232.324219 MB of memory in use. ENERGY: 326200 3993.7868 20401.9210 14395.5194 235.4877 -202813.0648 2445.1647 0.0000 0.0000 51845.5901 -109495.5951 297.9573 -161341.1851 -109115.0019 298.4873 -134.4165 -93.1073 761727.9763 0.8586 0.8692 PRESSURE: 326400 83.1453 98.4269 -27.6625 98.427 298.835 34.5533 -27.6615 34.5533 89.1345 GPRESSURE: 326400 101.765 146.086 -9.17486 12.6705 302.947 -27.3728 52.7738 160.036 176.451 PRESSAVG: 326400 -19.4495 -32.2144 7.59222 -32.2144 87.7158 16.553 7.59226 16.5529 -4.56531 GPRESSAVG: 326400 -20.2197 -30.0402 8.11923 -32.6405 89.2098 18.3585 10.4948 16.3469 -5.48982 TIMING: 326400 CPU: 1030.92, 0.00313678/step Wall: 1030.92, 0.00313678/step, 4.07224 hours remaining, 232.324219 MB of memory in use. ENERGY: 326400 4056.4316 20581.6143 14408.8051 240.3085 -203397.0139 2762.8143 0.0000 0.0000 51991.3175 -109355.7226 298.7948 -161347.0401 -109013.9126 299.1057 157.0383 193.7211 761339.5230 21.2337 21.1668 PRESSURE: 326600 -204.47 -260.283 103.615 -260.282 -210.835 -159.444 103.616 -159.443 -62.2936 GPRESSURE: 326600 -94.8499 -276.776 115.806 -159.936 -222.149 -192.265 89.5907 -96.034 -52.1837 PRESSAVG: 326600 11.6559 8.61751 -32.9897 8.6175 -19.7802 6.67929 -32.9897 6.67925 7.13871 GPRESSAVG: 326600 10.3377 7.66123 -33.051 12.6825 -20.6959 5.38312 -36.4223 7.14041 9.39979 TIMING: 326600 CPU: 1031.55, 0.00314362/step Wall: 1031.55, 0.00314362/step, 4.08094 hours remaining, 232.324219 MB of memory in use. ENERGY: 326600 4004.4873 20417.8791 14476.4066 247.4029 -203379.5857 2946.0383 0.0000 0.0000 51904.1657 -109383.2057 298.2940 -161287.3714 -109032.2162 299.6431 -159.1993 -123.0610 763509.3835 -0.3285 -0.3195 PRESSURE: 326800 86.7374 57.1146 81.6862 57.1154 99.1794 -27.707 81.6863 -27.7072 -331.693 GPRESSURE: 326800 138.46 -14.6557 88.28 -69.2992 73.2863 -10.3814 175.082 -150.376 -279.56 PRESSAVG: 326800 46.3773 -13.3887 20.7619 -13.3887 -14.9142 -3.6417 20.7618 -3.64168 3.64169 GPRESSAVG: 326800 47.2514 -13.1115 21.385 -19.2165 -15.0256 -4.19134 23.0208 -3.04169 2.95094 TIMING: 326800 CPU: 1032.18, 0.00316212/step Wall: 1032.18, 0.00316212/step, 4.10479 hours remaining, 232.324219 MB of memory in use. ENERGY: 326800 3953.9073 20507.8663 14455.4469 244.4609 -203756.1619 3109.9275 0.0000 0.0000 52189.6168 -109294.9362 299.9344 -161484.5530 -108939.0362 298.9163 -48.5921 -22.6047 763280.5046 11.7016 11.7256 PRESSURE: 327000 83.2104 -38.445 -149 -38.4448 -107.681 -186.538 -149 -186.539 -171.008 GPRESSURE: 327000 130.02 -136.625 -68.9934 -44.3579 -67.3811 -203.327 -140.505 -101.218 -178.561 PRESSAVG: 327000 30.2272 -29.0296 -21.7205 -29.0296 10.0843 -35.9096 -21.7204 -35.9096 -5.03521 GPRESSAVG: 327000 30.0931 -30.9298 -22.0246 -25.0675 10.2476 -34.2775 -22.5393 -35.8603 -4.70285 TIMING: 327000 CPU: 1032.81, 0.00315494/step Wall: 1032.81, 0.00315494/step, 4.09529 hours remaining, 232.324219 MB of memory in use. ENERGY: 327000 4059.1377 20602.1249 14387.2894 259.3726 -203465.5787 2764.6596 0.0000 0.0000 51997.5963 -109395.3982 298.8309 -161392.9946 -109035.4228 299.5167 -65.1597 -38.6408 763395.7607 11.7587 11.8793 PRESSURE: 327200 195.29 69.2564 86.1313 69.256 -91.5147 34.6494 86.1308 34.6499 -232.298 GPRESSURE: 327200 241.531 64.1575 107.276 118.971 -48.1753 20.6555 -83.8429 -91.6861 -241.229 PRESSAVG: 327200 29.0533 -27.0457 -3.14513 -27.0457 -27.4582 6.82718 -3.14511 6.82724 -16.8087 GPRESSAVG: 327200 28.6137 -26.182 -4.78862 -28.0662 -27.4655 5.46424 -1.49507 6.89625 -16.6597 TIMING: 327200 CPU: 1033.45, 0.00316996/step Wall: 1033.45, 0.00316996/step, 4.1146 hours remaining, 232.324219 MB of memory in use. ENERGY: 327200 4017.9975 20324.0950 14485.9371 242.5591 -203359.6622 2676.3185 0.0000 0.0000 52370.2802 -109242.4748 300.9727 -161612.7551 -108874.6721 299.2744 -42.8407 -15.9576 761792.4961 -5.0712 -5.1705 PRESSURE: 327400 -20.9857 -106.302 172.809 -106.302 19.1567 -29.7881 172.808 -29.7888 27.7317 GPRESSURE: 327400 -1.06396 -132.859 198.235 -132.259 43.8185 -17.7466 146.318 22.5176 71.6674 PRESSAVG: 327400 -51.7087 -31.5674 9.6163 -31.5675 -12.8907 12.2868 9.61624 12.2868 -4.11901 GPRESSAVG: 327400 -50.6741 -29.6715 10.1267 -32.2842 -12.9609 11.7796 8.40971 12.7668 -4.68766 TIMING: 327400 CPU: 1034.08, 0.00315042/step Wall: 1034.08, 0.00315042/step, 4.08907 hours remaining, 232.324219 MB of memory in use. ENERGY: 327400 3972.1361 20558.4894 14409.7518 244.9502 -202956.3912 2419.9682 0.0000 0.0000 51938.5269 -109412.5687 298.4914 -161351.0956 -109054.2413 299.1872 8.6342 38.1406 760934.8935 -22.9061 -22.7742 PRESSURE: 327600 -272.227 28.2696 3.37974 28.2706 -97.4044 44.5181 3.37932 44.5179 299.185 GPRESSURE: 327600 -244.964 -60.1899 31.4626 6.55591 -77.0587 26.9672 -44.9874 -0.597869 303.347 PRESSAVG: 327600 -26.6443 -6.28626 -24.1241 -6.28623 -2.23969 -1.94456 -24.124 -1.94453 -5.69178 GPRESSAVG: 327600 -28.0925 -8.20549 -24.2771 -5.30413 -1.23583 -0.845701 -23.6105 -1.98993 -5.02365 TIMING: 327600 CPU: 1034.71, 0.00316512/step Wall: 1034.71, 0.00316512/step, 4.10797 hours remaining, 232.324219 MB of memory in use. ENERGY: 327600 4006.1608 20482.4415 14453.8315 221.7525 -203250.8773 2478.0423 0.0000 0.0000 52252.9662 -109355.6825 300.2985 -161608.6487 -108990.7313 298.8142 -23.4824 -6.2253 760478.6065 -11.5253 -11.4507 PRESSURE: 327800 -4.96147 170.563 59.8366 170.563 -168.189 -25.9349 59.8355 -25.9357 233.749 GPRESSURE: 327800 24.2857 140.268 88.7134 62.3016 -78.7697 -17.2152 -48.42 69.0059 209.902 PRESSAVG: 327800 48.1739 8.57801 21.3693 8.5781 -57.2435 8.76555 21.3693 8.76551 -12.3929 GPRESSAVG: 327800 49.3234 8.73897 21.9906 5.70766 -58.1875 7.44281 20.7903 8.87432 -12.4558 TIMING: 327800 CPU: 1035.35, 0.00317658/step Wall: 1035.35, 0.00317658/step, 4.12267 hours remaining, 232.324219 MB of memory in use. ENERGY: 327800 3915.3108 20593.3378 14482.3829 242.9772 -203215.7373 2530.1180 0.0000 0.0000 52218.0799 -109233.5307 300.0980 -161451.6106 -108873.4748 299.7204 20.1996 51.8060 761676.0653 -7.1542 -7.1067 PRESSURE: 328000 367.27 -74.7172 -195.634 -74.7175 85.6935 -89.928 -195.634 -89.9289 302.579 GPRESSURE: 328000 335.234 -42.0724 -151.821 -0.0294333 188.301 -23.6908 -307.068 -197.445 297.345 PRESSAVG: 328000 -1.16614 -14.4278 -1.83193 -14.4278 -28.7919 10.0228 -1.83194 10.0228 -5.87446 GPRESSAVG: 328000 -2.06991 -15.0377 -1.17945 -13.3985 -28.2943 10.073 -1.00462 11.6856 -5.73417 TIMING: 328000 CPU: 1035.98, 0.00315698/step Wall: 1035.98, 0.00315698/step, 4.09706 hours remaining, 232.324219 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: 328000 4024.1988 20575.3089 14464.9577 226.9600 -203484.6197 2788.9145 0.0000 0.0000 51925.9240 -109478.3559 298.4190 -161404.2799 -109129.9422 299.8251 251.8475 273.6268 761677.6723 -11.9442 -12.0328 PRESSURE: 328200 92.3531 -44.527 14.0183 -44.5261 111.561 236.053 14.0194 236.053 -165.469 GPRESSURE: 328200 123.731 -156.061 91.6272 -23.9925 89.5162 152.224 -93.7655 171.725 -76.0551 PRESSAVG: 328200 72.5441 -55.9339 48.8128 -55.9338 -56.6818 39.7044 48.8129 39.7045 -14.7346 GPRESSAVG: 328200 72.0631 -56.9212 47.2606 -53.4933 -56.8067 39.0725 47.9398 39.4306 -14.3401 TIMING: 328200 CPU: 1036.61, 0.00316614/step Wall: 1036.61, 0.00316614/step, 4.10877 hours remaining, 232.324219 MB of memory in use. ENERGY: 328200 3974.4196 20584.3063 14471.6241 235.7767 -203551.9467 2735.2563 0.0000 0.0000 52072.6069 -109477.9567 299.2620 -161550.5636 -109108.2183 299.0791 12.8148 45.7306 762023.9720 0.3759 0.3054 LDB: ============= START OF LOAD BALANCING ============== 1049.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1049.15 LDB: =============== DONE WITH MIGRATION ================ 1049.15 LDB: ============= START OF LOAD BALANCING ============== 1049.47 LDB: Largest compute 7007 load 0.029944 is 15.3% of average load 0.195217 LDB: Average compute 0.004384 is 2.2% of average load 0.195217 LDB: TIME 1049.47 LOAD: AVG 0.195217 MAX 0.21325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.094 MB LDB: TIME 1049.47 LOAD: AVG 0.195217 MAX 0.21325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.172 MB LDB: TIME 1049.47 LOAD: AVG 0.195217 MAX 0.21325 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.172 MB LDB: ============== END OF LOAD BALANCING =============== 1049.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1049.48 PRESSURE: 328400 101.808 -200.765 -367.044 -200.765 -119.223 331.557 -367.043 331.556 -81.3442 GPRESSURE: 328400 147.234 -245.814 -347.496 -193.19 -62.9827 315.456 -335.195 241.466 -108.726 PRESSAVG: 328400 55.3796 -99.1171 -33.2313 -99.1171 -47.1229 25.0639 -33.2313 25.0641 -4.24539 GPRESSAVG: 328400 56.78 -95.0944 -32.2861 -102.914 -47.5073 26.4411 -33.2857 25.058 -4.48778 TIMING: 328400 CPU: 1037.26, 0.00325121/step Wall: 1037.26, 0.00325121/step, 4.21899 hours remaining, 232.121094 MB of memory in use. ENERGY: 328400 4011.9764 20517.5801 14427.7790 234.4381 -203553.0364 2510.6213 0.0000 0.0000 52184.8296 -109665.8118 299.9069 -161850.6415 -109300.4082 298.7020 -32.9198 -8.1582 760057.8178 1.3371 1.5950 PRESSURE: 328600 -325.049 -125.568 227.945 -125.567 -139.185 -88.3805 227.944 -88.38 -108.391 GPRESSURE: 328600 -272.105 -150.008 183.024 -127.433 -67.7664 -37.523 8.65429 13.7767 -148.907 PRESSAVG: 328600 75.4686 -127.851 35.9277 -127.851 -54.9352 -9.39619 35.9277 -9.39618 10.576 GPRESSAVG: 328600 74.7372 -130.04 36.5974 -125.923 -53.7852 -10.1056 37.1335 -9.74834 9.7379 TIMING: 328600 CPU: 1037.89, 0.0031434/step Wall: 1037.89, 0.0031434/step, 4.07891 hours remaining, 232.121094 MB of memory in use. ENERGY: 328600 4017.5124 20621.9819 14387.7851 249.5319 -203343.2762 2551.6402 0.0000 0.0000 52060.5657 -109454.2589 299.1928 -161514.8246 -109097.0933 299.4276 -190.8753 -162.9262 762406.9537 10.3698 10.2300 PRESSURE: 328800 -272.377 -138.853 8.06289 -138.853 -290.216 -105.987 8.06292 -105.986 53.9224 GPRESSURE: 328800 -232.726 -142.33 34.7036 -143.654 -252.255 -49.1649 -87.3703 -53.4465 87.9561 PRESSAVG: 328800 16.8547 -105.867 66.8323 -105.867 -17.9904 -21.9366 66.8322 -21.9365 -32.0943 GPRESSAVG: 328800 16.5894 -107.207 66.0121 -106.834 -17.7183 -21.7746 64.4871 -20.0732 -31.6654 TIMING: 328800 CPU: 1038.52, 0.00317476/step Wall: 1038.52, 0.00317476/step, 4.11943 hours remaining, 232.121094 MB of memory in use. ENERGY: 328800 3967.9131 20857.8070 14436.3936 250.6639 -203266.0164 2349.2279 0.0000 0.0000 51912.7482 -109491.2626 298.3433 -161404.0109 -109134.0879 299.2984 -169.5571 -132.3417 761300.0018 -11.0767 -10.9315 PRESSURE: 329000 74.6491 15.4041 197.063 15.4052 669.757 58.7127 197.062 58.7119 452.739 GPRESSURE: 329000 231.916 -22.4885 187.092 58.2401 588.646 10.3075 287.062 14.2082 462.144 PRESSAVG: 329000 18.5239 -67.268 49.427 -67.2679 -5.59318 -33.6094 49.427 -33.6094 -0.877173 GPRESSAVG: 329000 19.1314 -65.3088 48.1397 -67.967 -6.24511 -31.5278 51.7872 -33.8257 -0.548144 TIMING: 329000 CPU: 1039.16, 0.00317308/step Wall: 1039.16, 0.00317308/step, 4.11707 hours remaining, 232.121094 MB of memory in use. ENERGY: 329000 3992.3885 20530.3259 14440.2254 254.5665 -203866.8686 3016.8510 0.0000 0.0000 52416.0595 -109216.4517 301.2358 -161632.5112 -108851.5628 299.7563 399.0484 427.5687 759997.4860 4.0178 4.1127 PRESSURE: 329200 -275.411 41.608 38.0103 41.6078 -4.22006 -43.8532 38.01 -43.8536 -209.744 GPRESSURE: 329200 -237.241 56.5964 11.5546 -23.0872 -3.2178 -39.5276 24.3043 -36.2226 -150.291 PRESSAVG: 329200 -28.8104 -60.7961 -34.9825 -60.7961 42.97 41.9773 -34.9825 41.9772 -21.8026 GPRESSAVG: 329200 -28.9311 -60.9084 -34.248 -58.6433 43.4869 42.0186 -37.6175 40.4509 -22.0803 TIMING: 329200 CPU: 1039.79, 0.00314785/step Wall: 1039.79, 0.00314785/step, 4.08416 hours remaining, 232.121094 MB of memory in use. ENERGY: 329200 3916.8285 20771.2852 14396.2458 227.0603 -203531.5861 2603.1759 0.0000 0.0000 52170.4053 -109446.5852 299.8240 -161616.9906 -109091.1796 299.3594 -163.1249 -130.2500 762310.6654 -2.5477 -2.5082 PRESSURE: 329400 265.054 198.189 158.164 198.188 -204.996 -39.4683 158.165 -39.4685 -198.597 GPRESSURE: 329400 268.885 126.908 98.2506 190.72 -238.402 -38.4572 163.338 -123.174 -108.352 PRESSAVG: 329400 3.81053 -41.9435 -18.3771 -41.9435 -6.51658 3.42162 -18.3771 3.4216 -24.2696 GPRESSAVG: 329400 2.70765 -43.408 -17.911 -42.314 -6.53924 3.35522 -17.215 2.0231 -23.908 TIMING: 329400 CPU: 1040.42, 0.00315379/step Wall: 1040.42, 0.00315379/step, 4.09169 hours remaining, 232.121094 MB of memory in use. ENERGY: 329400 4054.3234 20510.5499 14420.8160 250.0156 -203739.4765 2699.6109 0.0000 0.0000 52453.3822 -109350.7785 301.4503 -161804.1607 -108984.4476 299.5950 -46.1794 -25.9564 762163.0087 -8.9919 -9.2465 PRESSURE: 329600 -196.335 137.872 -37.01 137.871 -305.468 -94.7996 -37.0101 -94.7991 131.906 GPRESSURE: 329600 -191.634 179.182 -101.651 84.5641 -250.941 -142.727 37.7136 57.0353 155.761 PRESSAVG: 329600 -36.1405 -25.4213 33.4088 -25.4214 -8.48772 -15.2469 33.4089 -15.2468 9.37148 GPRESSAVG: 329600 -35.4969 -23.9829 33.1628 -24.9059 -8.69777 -15.7656 33.3063 -12.9517 9.47442 TIMING: 329600 CPU: 1041.05, 0.00314773/step Wall: 1041.05, 0.00314773/step, 4.08366 hours remaining, 232.121094 MB of memory in use. ENERGY: 329600 4026.2249 20553.6672 14433.4047 235.6037 -203490.3478 2607.8403 0.0000 0.0000 52157.5120 -109476.0949 299.7499 -161633.6070 -109107.1593 299.6776 -123.2990 -95.6046 761336.7113 -11.7523 -11.5734 PRESSURE: 329800 14.6471 -225.062 22.5841 -225.063 264.072 95.4986 22.5846 95.4981 -2.37056 GPRESSURE: 329800 161.753 -169.211 29.4087 -204.082 129.227 49.5046 76.5445 -101.508 74.1889 PRESSAVG: 329800 65.3524 -11.6872 25.2887 -11.6872 -79.1863 26.2699 25.2887 26.2699 -6.91585 GPRESSAVG: 329800 64.4241 -9.51554 24.8321 -11.7205 -78.7486 25.2129 25.8341 24.9205 -6.28945 TIMING: 329800 CPU: 1041.68, 0.00317167/step Wall: 1041.68, 0.00317167/step, 4.11454 hours remaining, 232.121094 MB of memory in use. ENERGY: 329800 3916.4479 20636.3092 14342.8994 245.8158 -203351.4331 2747.4151 0.0000 0.0000 51931.6377 -109530.9082 298.4518 -161462.5459 -109184.8036 299.0674 92.1163 121.7230 761125.9248 -6.9166 -6.8713 PRESSURE: 330000 -159.851 126.038 -73.9972 126.038 230.123 -120.7 -73.9979 -120.701 -5.97364 GPRESSURE: 330000 -142.236 100.717 -20.961 38.1239 291.195 -124.773 -42.1087 -9.07653 13.5442 PRESSAVG: 330000 -14.3327 -16.7472 -9.07842 -16.7472 44.7713 -10.5444 -9.07846 -10.5445 -28.5925 GPRESSAVG: 330000 -13.8923 -17.2413 -9.14765 -17.3764 44.8723 -9.69077 -6.56182 -9.20424 -29.3942 TIMING: 330000 CPU: 1042.32, 0.00316066/step Wall: 1042.32, 0.00316066/step, 4.10008 hours remaining, 232.121094 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: 330000 3906.0311 20510.3288 14368.0610 253.6393 -203261.5815 2539.5217 0.0000 0.0000 52063.2564 -109620.7432 299.2083 -161683.9996 -109259.4173 298.5473 21.4327 54.1679 759980.2625 0.6154 0.5286 PRESSURE: 330200 -58.6342 -79.3358 243.422 -79.3364 -199.371 -302.043 243.421 -302.043 -476.148 GPRESSURE: 330200 -99.3184 -116.505 210.637 -19.8383 -157.586 -278.598 191.824 -252.496 -398.563 PRESSAVG: 330200 -18.0738 -20.3605 -28.1218 -20.3605 43.2834 -17.6058 -28.1218 -17.6058 1.84529 GPRESSAVG: 330200 -18.1 -22.3662 -28.2845 -20.2173 43.4501 -16.401 -29.8272 -19.0045 2.33827 TIMING: 330200 CPU: 1042.95, 0.00315186/step Wall: 1042.95, 0.00315186/step, 4.08848 hours remaining, 232.121094 MB of memory in use. ENERGY: 330200 3954.3856 20590.4109 14455.2645 230.2648 -203285.3646 2381.4455 0.0000 0.0000 52128.2087 -109545.3847 299.5815 -161673.5935 -109190.1087 298.8163 -244.7180 -218.4892 761134.8104 9.0183 9.2295 PRESSURE: 330400 -36.3375 -31.6671 -13.4196 -31.6677 174.403 38.8916 -13.4196 38.8927 115.883 GPRESSURE: 330400 78.4845 -56.016 20.9379 56.3252 222.04 25.0525 -61.3859 93.7419 35.0683 PRESSAVG: 330400 -5.70891 -25.3157 -48.4452 -25.3156 19.4904 0.903958 -48.4451 0.903933 9.07867 GPRESSAVG: 330400 -5.23938 -24.7976 -45.521 -23.8289 19.6294 1.93525 -51.0954 1.52044 8.22702 TIMING: 330400 CPU: 1043.58, 0.00317513/step Wall: 1043.58, 0.00317513/step, 4.11849 hours remaining, 232.121094 MB of memory in use. ENERGY: 330400 3987.1233 20604.4058 14436.2466 241.9653 -203223.7017 2323.5579 0.0000 0.0000 52117.1459 -109513.2569 299.5180 -161630.4029 -109153.4602 298.9022 84.6495 111.8642 760556.2030 7.6201 7.5390 PRESSURE: 330600 72.999 -92.8916 -238.636 -92.891 -11.9567 215.096 -238.636 215.096 41.2619 GPRESSURE: 330600 137.618 -115.856 -332.257 10.1326 -14.7958 213.622 -60.5777 250.383 72.0981 PRESSAVG: 330600 20.903 2.02052 -26.7214 2.0206 -26.0331 32.1329 -26.7213 32.1328 -24.2556 GPRESSAVG: 330600 19.5332 0.621789 -29.5547 0.210904 -26.2651 31.7034 -23.7334 33.8677 -23.1777 TIMING: 330600 CPU: 1044.22, 0.0031763/step Wall: 1044.22, 0.0031763/step, 4.11984 hours remaining, 232.121094 MB of memory in use. ENERGY: 330600 3882.2194 20597.6177 14450.0296 259.2342 -203659.3797 2747.8484 0.0000 0.0000 52210.7804 -109511.6500 300.0561 -161722.4304 -109143.6922 299.3264 34.1014 64.9735 760386.4608 -9.7952 -9.9698 PRESSURE: 330800 -125.105 41.9334 114.665 41.934 90.5179 -66.9026 114.665 -66.9031 -214.326 GPRESSURE: 330800 -71.4212 48.3321 148.86 1.54887 103.242 -145.51 161.652 -72.4926 -191.081 PRESSAVG: 330800 41.9439 6.98003 -6.0848 6.98007 -36.3233 -51.7108 -6.08476 -51.7109 14.8801 GPRESSAVG: 330800 42.5571 8.86579 -3.53933 7.61648 -37.6132 -52.6248 -6.69897 -52.4908 15.9922 TIMING: 330800 CPU: 1044.85, 0.00318748/step Wall: 1044.85, 0.00318748/step, 4.13416 hours remaining, 232.121094 MB of memory in use. ENERGY: 330800 4068.4889 20469.0577 14478.3517 254.3820 -203620.1049 2623.9776 0.0000 0.0000 52036.2229 -109689.6241 299.0529 -161725.8470 -109336.5761 299.3453 -82.9711 -53.0867 759624.0449 6.8336 6.9787 PRESSURE: 331000 -418.6 -2.99566 -42.6488 -2.99551 -196.322 -23.8916 -42.6477 -23.8913 399.36 GPRESSURE: 331000 -416.811 -21.4418 -46.4609 -93.2248 -153.874 -50.9373 -108.911 -1.99829 439.325 PRESSAVG: 331000 9.75872 -15.7848 -41.1245 -15.7848 5.96242 -38.101 -41.1245 -38.1009 1.42889 GPRESSAVG: 331000 9.5433 -13.6875 -42.6479 -16.7599 7.39499 -37.9537 -38.8959 -39.6099 0.592207 TIMING: 331000 CPU: 1045.49, 0.00317562/step Wall: 1045.49, 0.00317562/step, 4.1186 hours remaining, 232.121094 MB of memory in use. ENERGY: 331000 3873.2530 20786.8757 14423.8858 272.7315 -203032.2455 2161.7228 0.0000 0.0000 51931.1594 -109582.6172 298.4491 -161513.7766 -109224.0448 299.7104 -71.8541 -43.7868 760880.8048 5.7167 5.8435 PRESSURE: 331200 -190.238 -44.5211 118.124 -44.5214 33.6737 129.662 118.124 129.662 -2.74487 GPRESSURE: 331200 -124.623 23.3395 192.257 -97.2407 83.7821 131.057 47.349 126.178 -14.685 PRESSAVG: 331200 12.692 -37.0764 -38.4542 -37.0763 -6.74669 -23.7755 -38.4542 -23.7755 9.34195 GPRESSAVG: 331200 13.2431 -38.9242 -37.2571 -35.8516 -7.26581 -24.5991 -42.535 -22.6996 9.56943 TIMING: 331200 CPU: 1046.12, 0.00315819/step Wall: 1046.12, 0.00315819/step, 4.09582 hours remaining, 232.121094 MB of memory in use. ENERGY: 331200 3906.2819 20444.0284 14490.2949 255.6096 -203649.4493 2455.4479 0.0000 0.0000 52385.2407 -109712.5459 301.0587 -162097.7866 -109338.5383 298.7383 -53.1031 -18.5085 760198.3524 5.0958 5.1822 PRESSURE: 331400 135.407 -118.884 63.0659 -118.884 -60.0807 21.7197 63.0656 21.7203 27.6518 GPRESSURE: 331400 154.082 -91.0811 55.1882 -155.274 -50.2344 -35.9023 44.7811 47.4422 95.9597 PRESSAVG: 331400 51.7128 -10.5465 -29.4627 -10.5464 -21.8343 -29.9012 -29.4627 -29.9012 -24.149 GPRESSAVG: 331400 51.8416 -12.0204 -30.1581 -10.6939 -22.5721 -29.5212 -28.1165 -28.2703 -23.824 TIMING: 331400 CPU: 1046.75, 0.00313665/step Wall: 1046.75, 0.00313665/step, 4.06771 hours remaining, 232.121094 MB of memory in use. ENERGY: 331400 4027.2819 20595.7784 14453.6000 247.1009 -203617.1387 2591.5440 0.0000 0.0000 51916.9564 -109784.8771 298.3675 -161701.8335 -109427.1329 298.9905 34.3261 66.6025 759378.1746 1.9098 1.8152 PRESSURE: 331600 -187.683 -457.201 -126.721 -457.201 -292.034 -59.4314 -126.721 -59.4304 75.1448 GPRESSURE: 331600 -128.749 -383.625 -84.8743 -395.758 -219.074 11.4058 -67.3292 -126.93 19.6332 PRESSAVG: 331600 10.6847 1.20151 -3.86301 1.20149 -19.9091 -11.9306 -3.86295 -11.9305 35.9644 GPRESSAVG: 331600 10.2495 0.75554 -6.28886 1.75351 -18.6899 -10.041 -3.80342 -15.6966 35.4294 TIMING: 331600 CPU: 1047.37, 0.00312909/step Wall: 1047.37, 0.00312909/step, 4.05774 hours remaining, 232.121094 MB of memory in use. ENERGY: 331600 4027.6782 20715.2267 14442.1036 241.3175 -203758.6427 2567.2546 0.0000 0.0000 52105.2738 -109659.7883 299.4497 -161765.0621 -109289.1724 299.3434 -134.8572 -109.3966 761396.6416 8.9133 8.9963 PRESSURE: 331800 15.4956 32.7698 -70.7092 32.7699 -120.321 173.036 -70.7094 173.036 -209.088 GPRESSURE: 331800 -3.27846 83.6244 -54.5502 9.84073 -21.1458 133.161 -60.1658 111.358 -210.988 PRESSAVG: 331800 33.6114 -20.4148 11.7931 -20.4148 -19.9214 -15.2619 11.7931 -15.2619 -23.5616 GPRESSAVG: 331800 34.2075 -19.2724 14.6816 -21.4296 -21.0078 -16.9371 13.5293 -14.4246 -23.3582 TIMING: 331800 CPU: 1048, 0.00313196/step Wall: 1048, 0.00313196/step, 4.06128 hours remaining, 232.121094 MB of memory in use. ENERGY: 331800 3953.7421 20561.0337 14429.6745 258.5782 -203422.9670 2703.1741 0.0000 0.0000 51980.3154 -109536.4490 298.7316 -161516.7643 -109162.3162 299.2619 -104.6378 -78.4708 762247.5998 -3.2905 -3.3862 PRESSURE: 332000 -126.829 130.83 6.90711 130.83 -81.0368 -34.4798 6.90638 -34.4794 198.088 GPRESSURE: 332000 -98.3701 113.212 -14.6646 189.93 -61.4279 -35.7347 -149.732 -10.3539 235.84 PRESSAVG: 332000 28.5704 24.679 24.0804 24.679 -61.2654 -19.6639 24.0804 -19.6638 16.0502 GPRESSAVG: 332000 28.013 24.5082 22.5745 26.2219 -60.3596 -20.6152 24.76 -19.6897 15.236 TIMING: 332000 CPU: 1048.63, 0.00316737/step Wall: 1048.63, 0.00316737/step, 4.10703 hours remaining, 232.121094 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: 332000 3955.8414 20460.2882 14532.3677 254.3050 -203675.9899 2675.1897 0.0000 0.0000 52113.4211 -109684.5768 299.4965 -161797.9979 -109317.0107 298.8287 -3.2594 25.3472 762700.1893 -5.5483 -5.7035 PRESSURE: 332200 -149.456 196.744 129.54 196.744 322.377 -69.4876 129.539 -69.4866 51.6805 GPRESSURE: 332200 -146.873 90.8562 78.9372 54.3125 345.85 -107.865 154.627 14.8711 106.778 PRESSAVG: 332200 6.5981 31.5477 62.3969 31.5477 3.6124 -24.2358 62.3969 -24.2359 30.5555 GPRESSAVG: 332200 7.22088 29.2495 62.4125 30.4967 4.15266 -23.5494 61.25 -22.6165 29.5667 TIMING: 332200 CPU: 1049.27, 0.00316566/step Wall: 1049.27, 0.00316566/step, 4.10463 hours remaining, 232.121094 MB of memory in use. ENERGY: 332200 3963.3548 20394.4310 14480.9989 242.7534 -203373.7269 2653.8618 0.0000 0.0000 51974.7223 -109663.6047 298.6994 -161638.3270 -109304.7150 298.3734 74.8671 101.9182 762185.4916 13.5887 13.6468 LDB: ============= START OF LOAD BALANCING ============== 1061.8 LDB: ============== END OF LOAD BALANCING =============== 1061.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1061.8 LDB: ============= START OF LOAD BALANCING ============== 1062.12 LDB: Largest compute 7060 load 0.031535 is 16.2% of average load 0.195197 LDB: Average compute 0.004392 is 2.3% of average load 0.195197 LDB: TIME 1062.12 LOAD: AVG 0.195197 MAX 0.215423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.664 MB LDB: TIME 1062.12 LOAD: AVG 0.195197 MAX 0.215423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: TIME 1062.12 LOAD: AVG 0.195197 MAX 0.215423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.664 MB LDB: ============== END OF LOAD BALANCING =============== 1062.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1062.13 PRESSURE: 332400 -155.415 14.0577 26.2671 14.0573 -62.521 -77.9423 26.2671 -77.9437 15.9108 GPRESSURE: 332400 -144.464 -3.81284 -9.2815 -38.4915 -26.0871 -5.78562 48.4838 -148.792 42.7681 PRESSAVG: 332400 -57.3694 50.6288 41.0821 50.6287 56.8761 1.69616 41.082 1.69613 -22.8518 GPRESSAVG: 332400 -56.4098 51.5701 41.9439 49.0424 55.7998 2.38699 41.2172 0.253985 -22.6169 TIMING: 332400 CPU: 1049.91, 0.0032297/step Wall: 1049.91, 0.0032297/step, 4.18748 hours remaining, 233.000000 MB of memory in use. ENERGY: 332400 3965.4515 20569.0552 14387.4122 243.2441 -203448.7352 2621.7192 0.0000 0.0000 52019.2081 -109642.6449 298.9551 -161661.8530 -109281.1783 298.8234 -67.3419 -42.5943 761160.9239 -7.7817 -7.7423 PRESSURE: 332600 -209.185 41.9176 -115.113 41.9173 -410.523 -0.682573 -115.114 -0.682641 -124.048 GPRESSURE: 332600 -139.553 164.295 -142.876 124.02 -382.141 -17.207 -77.9042 199.939 -138.261 PRESSAVG: 332600 -25.712 19.8186 -7.03538 19.8186 2.67992 58.51 -7.03541 58.5101 19.3111 GPRESSAVG: 332600 -27.491 20.1224 -5.8836 20.8882 4.47355 59.0827 -7.7597 59.6903 19.1459 TIMING: 332600 CPU: 1050.54, 0.0031566/step Wall: 1050.54, 0.0031566/step, 4.09253 hours remaining, 233.203125 MB of memory in use. ENERGY: 332600 3959.2027 20727.3612 14391.2638 238.2685 -203369.2306 2448.7376 0.0000 0.0000 51932.4933 -109671.9035 298.4568 -161604.3969 -109315.7052 299.0865 -247.9187 -219.9851 760877.1812 -1.2403 -1.2905 PRESSURE: 332800 -374.003 -134.588 125.724 -134.587 -325.753 130.365 125.724 130.364 -462.441 GPRESSURE: 332800 -324.616 -62.9796 156.954 -277.606 -346.143 56.1518 146.96 179.944 -414.917 PRESSAVG: 332800 -33.6766 16.435 -21.7051 16.435 40.2813 33.9036 -21.7052 33.9036 -4.48443 GPRESSAVG: 332800 -33.6719 14.6208 -22.55 18.6639 39.9634 31.4641 -23.0749 32.791 -4.16404 TIMING: 332800 CPU: 1051.18, 0.00316002/step Wall: 1051.18, 0.00316002/step, 4.09679 hours remaining, 233.203125 MB of memory in use. ENERGY: 332800 4065.5424 20557.9296 14403.0619 247.2252 -203471.9146 2277.5486 0.0000 0.0000 52249.4536 -109671.1533 300.2783 -161920.6069 -109299.7320 299.4180 -387.3991 -361.8920 760982.8728 0.7068 0.7091 PRESSURE: 333000 61.8845 -109.065 217.808 -109.066 14.7962 -175.336 217.808 -175.335 233.781 GPRESSURE: 333000 156.288 -43.2086 209.506 -70.4401 75.8882 -63.0428 308.276 -118.97 151.844 PRESSAVG: 333000 -13.4319 30.3354 5.4512 30.3354 -29.7258 34.3428 5.45118 34.3428 14.9508 GPRESSAVG: 333000 -12.9937 31.5682 5.22061 29.7425 -28.9284 35.1678 7.35209 35.4482 13.5714 TIMING: 333000 CPU: 1051.81, 0.0031483/step Wall: 1051.81, 0.0031483/step, 4.08142 hours remaining, 233.203125 MB of memory in use. ENERGY: 333000 4028.4124 20614.5783 14369.0795 242.1809 -203578.7542 2536.4975 0.0000 0.0000 52065.9735 -109722.0320 299.2239 -161788.0055 -109356.6438 298.8531 103.4874 128.0067 759817.4067 -9.4023 -9.4502 PRESSURE: 333200 10.2779 -50.2718 -153.194 -50.2716 4.20724 -45.0701 -153.193 -45.0708 -32.07 GPRESSURE: 333200 -27.5995 -68.0007 -143.766 -20.8022 104.763 -108.762 -81.104 -104.974 -8.66453 PRESSAVG: 333200 -12.1224 40.694 -56.1311 40.6941 21.8018 14.6894 -56.1311 14.6894 7.69264 GPRESSAVG: 333200 -13.2037 42.0626 -57.214 37.7638 21.4332 15.4719 -56.8985 14.1204 8.73134 TIMING: 333200 CPU: 1052.43, 0.00313708/step Wall: 1052.43, 0.00313708/step, 4.06671 hours remaining, 233.203125 MB of memory in use. ENERGY: 333200 4007.9706 20715.7625 14401.3735 249.9333 -203359.9067 2698.3030 0.0000 0.0000 51714.1254 -109572.4385 297.2018 -161286.5639 -109215.7903 299.2786 -5.8616 22.8329 762663.9991 5.7907 5.6536 PRESSURE: 333400 82.2228 43.2283 83.3711 43.2284 -206.817 -29.5561 83.3723 -29.5569 184.375 GPRESSURE: 333400 95.7169 178.528 35.5637 44.4201 -49.9457 -59.1265 94.5599 33.875 105.659 PRESSAVG: 333400 6.59023 -24.4233 67.9525 -24.4233 -27.0269 -11.2901 67.9524 -11.29 -6.27043 GPRESSAVG: 333400 6.9723 -24.6111 68.4418 -25.2561 -27.2332 -11.6837 67.0069 -10.3639 -6.09223 TIMING: 333400 CPU: 1053.07, 0.00316266/step Wall: 1053.07, 0.00316266/step, 4.09969 hours remaining, 233.203125 MB of memory in use. ENERGY: 333400 4012.4871 20423.4602 14394.1198 240.2294 -203481.1662 2573.5119 0.0000 0.0000 52182.2039 -109655.1540 299.8918 -161837.3578 -109286.7695 298.6503 19.9269 50.4768 760824.0684 -8.9024 -8.7844 PRESSURE: 333600 5.47492 -179.715 -12.0294 -179.715 -256.373 167.034 -12.0293 167.033 -64.7277 GPRESSURE: 333600 2.84285 -65.9956 80.0245 -151.944 -238.919 198.121 28.7762 112.382 -5.54777 PRESSAVG: 333600 -25.3915 -39.7494 7.83052 -39.7494 -2.46033 14.444 7.83056 14.444 -7.8453 GPRESSAVG: 333600 -24.4213 -40.0435 7.52458 -37.503 -3.97128 16.186 9.20292 15.0109 -7.4879 TIMING: 333600 CPU: 1053.7, 0.00317118/step Wall: 1053.7, 0.00317118/step, 4.11056 hours remaining, 233.203125 MB of memory in use. ENERGY: 333600 4058.5710 20414.7332 14457.2151 257.9010 -203123.2008 2314.3184 0.0000 0.0000 52116.2886 -109504.1736 299.5130 -161620.4622 -109144.7123 298.9013 -105.2084 -80.5414 762051.9163 -11.8990 -11.9601 PRESSURE: 333800 -402.424 119.966 -52.3318 119.967 -122.161 -123.535 -52.3316 -123.535 -175.142 GPRESSURE: 333800 -405.917 112.555 14.1389 15.3278 -54.2525 -130.178 47.0563 -17.2374 -139.393 PRESSAVG: 333800 -38.1482 0.426249 9.55202 0.426236 47.7919 10.076 9.55203 10.076 -4.45954 GPRESSAVG: 333800 -38.9898 1.68311 10.6452 -0.0745356 47.2206 9.12083 7.97394 8.70429 -3.32771 TIMING: 333800 CPU: 1054.33, 0.00315733/step Wall: 1054.33, 0.00315733/step, 4.09243 hours remaining, 233.203125 MB of memory in use. ENERGY: 333800 4049.6799 20540.1556 14401.2353 237.3724 -202769.8455 2149.8563 0.0000 0.0000 52028.9773 -109362.5688 299.0112 -161391.5461 -109008.1109 299.3649 -233.2423 -199.8542 762498.9963 1.7281 1.6344 PRESSURE: 334000 -197.874 -54.8018 4.70936 -54.8008 -208.87 -114.946 4.70949 -114.946 -158.154 GPRESSURE: 334000 -213.001 -75.3861 20.2042 -0.966838 -167.927 -90.2119 80.4775 -76.8218 -106.446 PRESSAVG: 334000 -28.7375 -49.7352 -24.9517 -49.7353 36.0599 36.8112 -24.9517 36.8112 28.6752 GPRESSAVG: 334000 -28.6494 -51.8631 -25.993 -48.7758 38.1212 36.2457 -23.8095 37.5964 26.7387 TIMING: 334000 CPU: 1054.96, 0.0031381/step Wall: 1054.96, 0.0031381/step, 4.06733 hours remaining, 233.203125 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: 334000 3999.4070 20456.8174 14415.1810 235.3549 -203671.1717 2629.8385 0.0000 0.0000 52248.9671 -109685.6057 300.2755 -161934.5728 -109324.6141 299.8408 -188.2993 -162.4577 759987.6732 11.9992 12.0701 PRESSURE: 334200 57.5029 -427.707 -159.521 -427.708 75.8424 -48.8698 -159.521 -48.8684 10.3037 GPRESSURE: 334200 134.359 -466.038 -159.177 -537.666 83.2583 -34.9822 -149.406 -74.0975 12.7156 PRESSAVG: 334200 9.22015 -75.6646 8.17957 -75.6647 16.0177 -25.3015 8.17958 -25.3014 -16.2028 GPRESSAVG: 334200 9.27299 -74.9928 6.98989 -77.4667 16.098 -25.7444 10.3267 -26.0907 -16.2034 TIMING: 334200 CPU: 1055.59, 0.00315394/step Wall: 1055.59, 0.00315394/step, 4.08768 hours remaining, 233.203125 MB of memory in use. ENERGY: 334200 4015.7686 20726.5777 14381.9546 236.0683 -203514.7528 2586.5328 0.0000 0.0000 51913.9121 -109653.9387 298.3500 -161567.8509 -109286.6087 299.1000 47.8830 76.7776 759965.6386 3.0117 3.0558 PRESSURE: 334400 94.9501 226.293 -169.427 226.293 -234.918 30.2508 -169.427 30.2505 -218.778 GPRESSURE: 334400 133.785 174.171 -189.03 85.3185 -240.857 -31.106 -21.7166 143.184 -168.567 PRESSAVG: 334400 -9.56737 -65.8153 -22.2257 -65.8153 21.355 48.6407 -22.2257 48.6408 19.8479 GPRESSAVG: 334400 -9.91989 -64.9798 -19.9176 -66.5067 20.188 48.7652 -24.5809 49.6562 21.5466 TIMING: 334400 CPU: 1056.22, 0.00314709/step Wall: 1056.22, 0.00314709/step, 4.07863 hours remaining, 233.203125 MB of memory in use. ENERGY: 334400 4054.5884 20595.7316 14371.6104 245.9723 -203417.0102 2462.3556 0.0000 0.0000 51905.2909 -109781.4610 298.3004 -161686.7519 -109416.5006 299.0942 -119.5821 -91.8798 760289.4501 10.5452 10.6049 PRESSURE: 334600 -354.083 -83.621 118.685 -83.6219 -164.877 45.7917 118.686 45.7921 165.079 GPRESSURE: 334600 -309.01 3.21306 117.311 0.548378 -23.3165 43.8859 81.1464 15.2718 68.6293 PRESSAVG: 334600 -90.5621 -20.2022 16.757 -20.2022 64.8813 0.120654 16.7569 0.120717 17.3085 GPRESSAVG: 334600 -90.0032 -19.6745 15.702 -18.3684 65.8734 0.357522 14.7663 1.29651 16.6753 TIMING: 334600 CPU: 1056.85, 0.00315241/step Wall: 1056.85, 0.00315241/step, 4.08535 hours remaining, 233.203125 MB of memory in use. ENERGY: 334600 3960.9901 20540.1753 14446.6478 247.7177 -203609.2503 2640.0033 0.0000 0.0000 52046.9283 -109726.7877 299.1144 -161773.7161 -109356.4277 298.9351 -117.9604 -87.8989 760639.0670 -2.7907 -2.4848 PRESSURE: 334800 -110.591 -89.664 9.32859 -89.6634 -55.3683 109.382 9.32783 109.382 47.6587 GPRESSURE: 334800 -6.21844 -127.957 -49.0574 -29.8776 -3.49633 91.982 37.8581 88.5204 -26.0722 PRESSAVG: 334800 -34.7952 -34.598 6.27269 -34.5979 50.2187 -9.54113 6.27272 -9.54114 -36.3246 GPRESSAVG: 334800 -35.2327 -37.1832 5.10656 -36.1603 50.7188 -7.54807 9.74067 -12.5112 -36.3102 TIMING: 334800 CPU: 1057.47, 0.00312588/step Wall: 1057.47, 0.00312588/step, 4.05079 hours remaining, 233.203125 MB of memory in use. ENERGY: 334800 3911.2398 20606.9872 14410.0222 231.9316 -203155.5332 2303.9326 0.0000 0.0000 51944.2150 -109747.2048 298.5241 -161691.4198 -109381.5654 299.1352 -39.4336 -11.9290 759818.9514 -6.9670 -6.9414 PRESSURE: 335000 62.8647 90.9079 -206.228 90.9075 186.671 -5.65802 -206.229 -5.65711 51.54 GPRESSURE: 335000 183.848 -26.6715 -223.918 81.9304 133.393 59.3049 -95.4804 98.3628 64.4561 PRESSAVG: 335000 -32.3242 -30.0463 -30.1849 -30.0463 30.1155 22.7409 -30.1849 22.7408 4.26507 GPRESSAVG: 335000 -31.5247 -29.2085 -29.5054 -27.9799 29.9492 20.7925 -33.2644 23.7012 4.66769 TIMING: 335000 CPU: 1058.1, 0.00315192/step Wall: 1058.1, 0.00315192/step, 4.08436 hours remaining, 233.203125 MB of memory in use. ENERGY: 335000 3997.9884 20545.9729 14413.5236 245.4416 -203460.1003 2564.6848 0.0000 0.0000 51963.8232 -109728.6659 298.6368 -161692.4891 -109370.1228 299.0147 100.3586 127.2323 760961.2538 0.6855 1.0307 PRESSURE: 335200 -228.981 -183.071 103.819 -183.071 -225.119 -214.143 103.819 -214.144 64.8914 GPRESSURE: 335200 -158.12 -60.6439 68.8757 -192.163 -254.047 -163.314 174.696 -203.161 89.7306 PRESSAVG: 335200 20.6252 -20.2647 37.5695 -20.2647 -14.3087 1.42343 37.5694 1.42351 -14.8967 GPRESSAVG: 335200 19.8633 -19.9835 36.1291 -22.6271 -13.8276 3.82582 39.891 1.59569 -15.2172 TIMING: 335200 CPU: 1058.73, 0.00314086/step Wall: 1058.73, 0.00314086/step, 4.06985 hours remaining, 233.203125 MB of memory in use. ENERGY: 335200 3966.6615 20612.5352 14460.3767 260.7729 -203294.8349 2384.4615 0.0000 0.0000 52199.6420 -109410.3853 299.9921 -161610.0272 -109049.6331 299.3939 -129.7361 -107.4789 760141.1101 -2.8601 -3.0605 PRESSURE: 335400 -69.5773 122.964 -165.551 122.964 -385.087 114.542 -165.551 114.542 -332.5 GPRESSURE: 335400 2.51406 24.0894 -121.702 208.72 -384.238 96.7681 -47.3588 167.25 -319.676 PRESSAVG: 335400 9.73098 -4.1835 58.4661 -4.18347 26.0847 -11.259 58.466 -11.2591 -9.10538 GPRESSAVG: 335400 9.43318 -6.99069 58.5297 -1.53717 25.1266 -12.4907 59.0958 -11.6341 -7.57582 TIMING: 335400 CPU: 1059.37, 0.00316464/step Wall: 1059.37, 0.00316464/step, 4.1005 hours remaining, 233.203125 MB of memory in use. ENERGY: 335400 4065.9980 20431.1538 14459.0369 238.5574 -203007.5459 2372.4859 0.0000 0.0000 51871.8255 -109568.4883 298.1081 -161440.3138 -109200.3615 299.3659 -262.3880 -233.7998 761065.1714 8.9034 8.9947 PRESSURE: 335600 -221.795 -205.415 73.5892 -205.415 -268.699 153.517 73.5883 153.518 -275.371 GPRESSURE: 335600 -200.994 -121.384 -38.6773 -107.015 -247.055 84.7508 32.8515 218.801 -237.692 PRESSAVG: 335600 -18.7173 -32.2607 67.6356 -32.2607 -8.50025 28.2085 67.6356 28.2084 0.323406 GPRESSAVG: 335600 -18.7381 -27.6508 70.2276 -32.3857 -7.01362 27.5965 65.6733 30.0461 -0.764763 TIMING: 335600 CPU: 1059.99, 0.00313553/step Wall: 1059.99, 0.00313553/step, 4.0626 hours remaining, 233.203125 MB of memory in use. ENERGY: 335600 4091.6422 20521.8996 14447.2933 247.1513 -203136.4223 2297.4276 0.0000 0.0000 51896.6006 -109634.4078 298.2505 -161531.0084 -109267.5852 298.9997 -255.2881 -228.5803 761372.7047 -8.9647 -8.8388 PRESSURE: 335800 -90.6283 -120.497 -109.227 -120.496 -77.3168 34.3039 -109.228 34.3041 229.914 GPRESSURE: 335800 36.2885 -139.873 -101.115 -95.5925 -81.3244 9.70079 -57.2239 209.002 190.023 PRESSAVG: 335800 -34.6093 -17.5039 66.7448 -17.5039 48.2144 18.6435 66.7448 18.6435 -8.43631 GPRESSAVG: 335800 -35.2925 -21.4179 66.4205 -17.4657 48.5933 20.3239 66.8405 16.1637 -8.2327 TIMING: 335800 CPU: 1060.62, 0.00313083/step Wall: 1060.62, 0.00313083/step, 4.05633 hours remaining, 233.203125 MB of memory in use. ENERGY: 335800 3989.4634 20735.9401 14368.8488 246.9125 -203611.2374 2653.4553 0.0000 0.0000 52149.2754 -109467.3420 299.7026 -161616.6174 -109107.3753 298.8866 20.6561 48.3292 760299.4985 1.7229 1.6894 PRESSURE: 336000 -112.564 -20.7267 -77.5361 -20.7268 164.355 96.425 -77.5361 96.4247 40.8467 GPRESSURE: 336000 5.97731 37.062 -106.2 -168.289 149.702 93.8973 -159.015 -15.5303 8.77543 PRESSAVG: 336000 -26.8278 -41.5183 29.8477 -41.5183 52.2794 15.5363 29.8477 15.5364 9.40425 GPRESSAVG: 336000 -26.175 -39.0104 28.5873 -44.201 51.2108 15.3163 32.6815 17.8588 9.91623 TIMING: 336000 CPU: 1061.25, 0.00313589/step Wall: 1061.25, 0.00313589/step, 4.06272 hours remaining, 233.203125 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: 336000 3991.7356 20630.7822 14408.9284 253.0536 -203482.9751 2430.0335 0.0000 0.0000 52370.0018 -109398.4401 300.9711 -161768.4419 -109036.1141 299.7806 30.8794 54.8182 761108.6059 11.6186 11.6507 PRESSURE: 336200 -36.6323 13.8595 53.684 13.8593 4.57143 -17.481 53.6845 -17.4805 334.289 GPRESSURE: 336200 59.7516 0.659415 67.0086 33.7118 -39.7395 -52.5625 104.024 15.8931 345.855 PRESSAVG: 336200 58.5807 -60.4555 28.5707 -60.4555 -44.9999 -18.2116 28.5708 -18.2114 -6.4693 GPRESSAVG: 336200 58.4795 -61.7375 27.5708 -57.315 -44.8162 -19.086 29.0517 -18.4805 -6.80994 TIMING: 336200 CPU: 1061.88, 0.0031566/step Wall: 1061.88, 0.0031566/step, 4.08938 hours remaining, 233.203125 MB of memory in use. ENERGY: 336200 3940.7984 20616.1376 14481.8685 247.1109 -203635.9296 2735.4977 0.0000 0.0000 52002.6603 -109611.8563 298.8600 -161614.5166 -109254.4408 299.4310 100.7426 121.9557 761754.3219 2.3705 2.2844 LDB: ============= START OF LOAD BALANCING ============== 1074.41 LDB: ============== END OF LOAD BALANCING =============== 1074.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1074.42 LDB: ============= START OF LOAD BALANCING ============== 1074.73 LDB: Largest compute 7060 load 0.029949 is 15.4% of average load 0.194993 LDB: Average compute 0.004392 is 2.3% of average load 0.194993 LDB: TIME 1074.74 LOAD: AVG 0.194993 MAX 0.213513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.238 MB LDB: TIME 1074.74 LOAD: AVG 0.194993 MAX 0.213513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.238 MB LDB: TIME 1074.74 LOAD: AVG 0.194993 MAX 0.213513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.238 MB LDB: ============== END OF LOAD BALANCING =============== 1074.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1074.74 PRESSURE: 336400 -154.442 -87.0981 53.4496 -87.0985 -67.4506 -157.277 53.4493 -157.277 -14.7899 GPRESSURE: 336400 -117.755 -29.7178 -110.641 -28.4803 32.8288 -176.961 41.171 -155.316 -62.5381 PRESSAVG: 336400 -0.871885 -31.4162 53.4448 -31.4162 5.86105 -42.0304 53.4448 -42.0304 12.0549 GPRESSAVG: 336400 -0.210238 -31.1198 54.6093 -32.6756 6.84184 -41.8795 51.5602 -44.0658 10.8237 TIMING: 336400 CPU: 1062.53, 0.00324328/step Wall: 1062.53, 0.00324328/step, 4.20149 hours remaining, 233.605469 MB of memory in use. ENERGY: 336400 3937.3928 20547.7959 14445.1143 250.9178 -203498.9259 2749.6485 0.0000 0.0000 51886.3852 -109681.6714 298.1918 -161568.0566 -109319.7288 298.8358 -78.8943 -49.1546 763310.9054 5.6813 5.8184 PRESSURE: 336600 164.041 50.4718 -37.4766 50.4713 -260.678 -155.168 -37.4768 -155.169 19.7005 GPRESSURE: 336600 233.478 93.5587 -8.45761 44.4408 -160.799 -123.712 -41.0776 -135.75 -64.3615 PRESSAVG: 336600 34.7051 -33.1883 46.8268 -33.1883 10.8979 -74.5362 46.8269 -74.5361 4.06421 GPRESSAVG: 336600 33.828 -35.0742 47.357 -33.9838 11.736 -73.6403 46.3084 -72.173 4.13392 TIMING: 336600 CPU: 1063.16, 0.00317491/step Wall: 1063.16, 0.00317491/step, 4.11274 hours remaining, 233.605469 MB of memory in use. ENERGY: 336600 3968.1917 20324.5070 14470.3170 270.8783 -203230.7088 2718.5155 0.0000 0.0000 51872.4138 -109605.8855 298.1115 -161478.2993 -109244.3853 298.6319 -25.6457 2.7726 762177.9969 16.5557 16.5660 PRESSURE: 336800 -113.918 -31.3395 -394.205 -31.3408 -182.372 -68.3429 -394.205 -68.3427 158.597 GPRESSURE: 336800 -47.7249 -73.9987 -350.922 59.4849 -204.813 24.4307 -291.604 -102.183 203.017 PRESSAVG: 336800 -5.60254 -19.5546 35.5199 -19.5546 63.3002 -4.3184 35.5199 -4.31847 -3.07329 GPRESSAVG: 336800 -5.82033 -18.1875 34.6253 -19.1327 62.546 -2.58556 36.7012 -7.9217 -2.56809 TIMING: 336800 CPU: 1063.79, 0.0031583/step Wall: 1063.79, 0.0031583/step, 4.09105 hours remaining, 233.671875 MB of memory in use. ENERGY: 336800 3962.2945 20606.7766 14446.8113 255.3653 -203156.8007 2565.8430 0.0000 0.0000 52005.2497 -109314.4604 298.8749 -161319.7101 -108950.4695 299.4912 -45.8976 -16.5071 761970.7373 18.2081 18.0525 PRESSURE: 337000 59.6395 -301.66 46.4162 -301.661 377.881 83.6834 46.4155 83.6837 378.847 GPRESSURE: 337000 191.79 -325.602 46.9531 -334.606 436.579 121.402 -13.5254 71.6396 281.332 PRESSAVG: 337000 11.1658 16.0268 40.4913 16.0268 -8.73033 6.43187 40.4913 6.43186 -6.61926 GPRESSAVG: 337000 11.7753 16.3658 41.4026 15.5476 -9.8577 4.38669 39.9774 7.88459 -6.00441 TIMING: 337000 CPU: 1064.42, 0.00315582/step Wall: 1064.42, 0.00315582/step, 4.08766 hours remaining, 233.671875 MB of memory in use. ENERGY: 337000 4078.3079 20487.0372 14410.0253 258.5314 -203638.1164 2950.8697 0.0000 0.0000 52071.9834 -109381.3616 299.2584 -161453.3450 -109024.5863 299.1728 272.1224 303.2336 760717.4039 -1.3946 -1.3623 PRESSURE: 337200 -26.2267 415.703 210.905 415.703 90.8079 -115.113 210.905 -115.114 -336.001 GPRESSURE: 337200 -71.5801 471.193 275.022 256.184 195.386 -123.952 202.184 -58.2384 -286.306 PRESSAVG: 337200 -73.2934 23.943 44.0974 23.943 36.3049 71.6509 44.0974 71.651 13.9837 GPRESSAVG: 337200 -72.7297 22.6264 42.0612 22.8843 35.682 72.6153 44.0046 73.1666 14.6831 TIMING: 337200 CPU: 1065.05, 0.00312836/step Wall: 1065.05, 0.00312836/step, 4.05192 hours remaining, 233.671875 MB of memory in use. ENERGY: 337200 3983.8140 20455.3828 14517.7607 227.0432 -203532.6921 2639.6322 0.0000 0.0000 52256.2335 -109452.8258 300.3173 -161709.0593 -109089.9231 299.3897 -90.4733 -54.1664 760521.5737 -7.6683 -7.4549 PRESSURE: 337400 -341.857 140.076 152.385 140.076 -114.712 -40.0178 152.385 -40.0172 -281.126 GPRESSURE: 337400 -260.98 78.0061 77.2112 123.202 -101.488 0.169807 204.418 -46.301 -313.507 PRESSAVG: 337400 -4.72187 -2.61157 -1.25648 -2.61156 38.5729 5.0856 -1.25648 5.08554 -5.18125 GPRESSAVG: 337400 -4.01691 -1.77478 0.272792 -4.05229 38.5152 3.4586 -0.276364 4.9525 -6.10126 TIMING: 337400 CPU: 1065.68, 0.00313909/step Wall: 1065.68, 0.00313908/step, 4.06564 hours remaining, 233.671875 MB of memory in use. ENERGY: 337400 4014.6805 20612.3411 14510.2014 251.9935 -203531.1249 2510.2852 0.0000 0.0000 51999.6677 -109631.9556 298.8428 -161631.6233 -109270.8463 299.3897 -245.8985 -225.3250 761267.7639 9.5566 9.4657 PRESSURE: 337600 237.634 18.2497 -70.3476 18.249 60.411 297.239 -70.3481 297.239 394.24 GPRESSURE: 337600 252.659 20.6378 -16.6376 -137.71 130.202 308.819 -198.97 259.787 392.935 PRESSAVG: 337600 -22.7751 12.5546 14.7639 12.5546 35.753 38.8171 14.7639 38.8171 0.290373 GPRESSAVG: 337600 -22.8628 10.805 14.5607 14.1571 35.377 40.7781 11.236 35.4353 0.583139 TIMING: 337600 CPU: 1066.3, 0.00313478/step Wall: 1066.3, 0.00313478/step, 4.05989 hours remaining, 233.671875 MB of memory in use. ENERGY: 337600 3922.2859 20712.8258 14453.5295 244.7996 -203956.3908 2834.7288 0.0000 0.0000 52201.0936 -109587.1278 300.0004 -161788.2213 -109226.8632 299.1988 230.7615 258.5983 760025.5707 4.4227 4.3658 PRESSURE: 337800 -30.1612 -20.9023 189.569 -20.902 -99.9737 90.9177 189.568 90.9162 -131.731 GPRESSURE: 337800 100.941 37.5239 301.928 39.0575 -147.888 85.962 237.86 125.509 -117.115 PRESSAVG: 337800 29.9296 -11.9639 7.38815 -11.9639 31.3016 18.3319 7.38814 18.3318 -13.6746 GPRESSAVG: 337800 28.6189 -11.681 7.27786 -10.8368 31.7826 15.9188 10.6351 22.8395 -12.3232 TIMING: 337800 CPU: 1066.93, 0.00314282/step Wall: 1066.93, 0.00314282/step, 4.07013 hours remaining, 233.671875 MB of memory in use. ENERGY: 337800 3971.2770 20391.5641 14423.9631 233.6500 -203464.0006 2634.0290 0.0000 0.0000 52179.0792 -109630.4381 299.8739 -161809.5173 -109267.6028 299.7479 -87.2886 -54.6875 760932.7679 15.8522 16.0261 PRESSURE: 338000 -84.3015 35.6716 -192.381 35.6714 233.119 50.5763 -192.38 50.5762 333.398 GPRESSURE: 338000 12.369 -51.7122 -157.007 45.439 190.565 5.80656 -31.1779 26.6373 353.945 PRESSAVG: 338000 82.8138 0.741843 -27.7451 0.741862 -42.9702 33.7182 -27.7452 33.7182 13.6849 GPRESSAVG: 338000 82.8464 1.7907 -28.0167 -1.24408 -42.9582 33.5749 -28.2781 33.1492 13.0365 TIMING: 338000 CPU: 1067.56, 0.00314004/step Wall: 1067.56, 0.00314004/step, 4.06636 hours remaining, 233.671875 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: 338000 3913.0313 20743.4245 14389.5255 240.3324 -203702.2213 3013.4460 0.0000 0.0000 52003.6478 -109398.8139 298.8657 -161402.4617 -109029.0848 299.4603 160.7385 185.6264 760478.2019 17.8428 17.6415 PRESSURE: 338200 462.592 -127.97 21.1767 -127.969 180.994 -106.468 21.1767 -106.468 -50.4852 GPRESSURE: 338200 380.385 -97.7963 22.8296 -146.377 270.967 -79.9247 -161.024 -43.1604 30.095 PRESSAVG: 338200 17.5796 -20.6818 -7.71184 -20.6818 1.56874 3.28075 -7.71183 3.28074 21.436 GPRESSAVG: 338200 19.5282 -20.9413 -7.73588 -18.6412 0.692392 5.86138 -7.3948 2.40606 20.1159 TIMING: 338200 CPU: 1068.2, 0.0031711/step Wall: 1068.2, 0.0031711/step, 4.10639 hours remaining, 233.671875 MB of memory in use. ENERGY: 338200 3958.2699 20619.6181 14471.8995 260.8296 -203520.8948 2829.2611 0.0000 0.0000 52032.1879 -109348.8287 299.0297 -161381.0166 -108988.6901 299.3049 197.7001 227.1488 760865.4519 13.5281 13.4455 PRESSURE: 338400 -443.094 -141.65 -165.329 -141.651 -74.1113 399.141 -165.329 399.141 -195.104 GPRESSURE: 338400 -311.383 11.2141 -141.911 -50.3667 -108.615 340.94 -132.791 441.139 -191.827 PRESSAVG: 338400 -24.6136 -8.83506 15.1046 -8.83507 22.2673 18.5068 15.1047 18.5068 3.48148 GPRESSAVG: 338400 -25.9926 -8.99176 14.6423 -9.81429 23.2265 17.1457 13.6524 18.3978 4.34349 TIMING: 338400 CPU: 1068.83, 0.00316552/step Wall: 1068.83, 0.00316552/step, 4.09899 hours remaining, 233.671875 MB of memory in use. ENERGY: 338400 3930.2565 20523.8648 14381.2106 241.7181 -203198.4308 2513.7451 0.0000 0.0000 52512.5462 -109095.0895 301.7903 -161607.6358 -108722.9954 300.3209 -237.4362 -203.9417 760681.1208 0.3784 0.5258 PRESSURE: 338600 -258.627 -10.0024 173.361 -10.0018 101.98 -257.055 173.361 -257.056 77.8833 GPRESSURE: 338600 -250.238 2.9038 113.916 -143.177 152.034 -256.313 216.514 -294.504 112.745 PRESSAVG: 338600 42.8647 -8.64538 -22.9099 -8.6454 -6.87159 32.8256 -22.91 32.8256 2.56781 GPRESSAVG: 338600 42.432 -8.58685 -22.7338 -10.5002 -7.10461 33.1416 -23.1508 32.3913 2.83117 TIMING: 338600 CPU: 1069.46, 0.00313811/step Wall: 1069.46, 0.00313811/step, 4.06334 hours remaining, 233.671875 MB of memory in use. ENERGY: 338600 4006.3581 20776.0807 14504.1845 234.4589 -203458.9064 2724.1522 0.0000 0.0000 52045.4044 -109168.2676 299.1057 -161213.6720 -108814.8365 299.9822 -26.2545 4.8470 760983.2410 12.8536 12.7195 PRESSURE: 338800 57.9581 85.5628 -251.722 85.5633 -55.8978 -130.167 -251.722 -130.166 -274.162 GPRESSURE: 338800 154.973 94.2302 -236.255 11.5359 -56.8289 -178.877 -11.7389 -60.0225 -289.014 PRESSAVG: 338800 -49.9636 -18.7884 19.8387 -18.7884 53.0477 -15.2778 19.8387 -15.2779 4.52742 GPRESSAVG: 338800 -49.1049 -19.3264 19.2555 -17.8803 52.8803 -16.0365 23.5712 -13.9634 4.34083 TIMING: 338800 CPU: 1070.08, 0.00314103/step Wall: 1070.08, 0.00314103/step, 4.06693 hours remaining, 233.671875 MB of memory in use. ENERGY: 338800 4095.3784 20520.7602 14435.3093 238.2913 -203199.6376 2807.1824 0.0000 0.0000 51940.1735 -109162.5425 298.5009 -161102.7160 -108797.1844 299.4727 -90.7006 -63.6233 762341.6769 2.5372 2.7054 PRESSURE: 339000 -262.312 -100.739 -237.504 -100.739 -72.3782 -22.7014 -237.503 -22.7014 18.1496 GPRESSURE: 339000 -238.935 -85.8437 -197.57 -107.794 -95.4111 -23.7894 -216.079 50.769 100.324 PRESSAVG: 339000 -9.68174 -13.3995 0.0574063 -13.3995 25.0411 -60.8024 0.0574367 -60.8024 -10.1975 GPRESSAVG: 339000 -9.36356 -12.0371 -0.0951405 -12.0386 25.4151 -60.1826 -2.47983 -58.3445 -10.5813 TIMING: 339000 CPU: 1070.71, 0.00314319/step Wall: 1070.71, 0.00314319/step, 4.06955 hours remaining, 233.671875 MB of memory in use. ENERGY: 339000 3946.4088 20469.3419 14429.7038 249.6368 -203120.6562 2718.8240 0.0000 0.0000 52140.0954 -109166.6456 299.6498 -161306.7409 -108797.3713 299.3044 -105.5136 -78.0075 764166.2757 1.7206 1.8234 PRESSURE: 339200 260.498 117.026 -80.932 117.027 173.173 29.8225 -80.9317 29.8233 159.727 GPRESSURE: 339200 259.675 173.552 -86.3126 88.0054 262.25 -27.1818 14.9215 -25.1748 155.371 PRESSAVG: 339200 -21.1449 33.8378 46.1933 33.8378 -20.9241 -11.2962 46.1933 -11.2962 11.8685 GPRESSAVG: 339200 -21.8459 34.2786 47.3946 31.8105 -20.6073 -12.6 46.4735 -11.6043 12.1209 TIMING: 339200 CPU: 1071.34, 0.00311946/step Wall: 1071.34, 0.00311946/step, 4.03866 hours remaining, 233.671875 MB of memory in use. ENERGY: 339200 4032.8177 20697.1436 14388.5283 241.6758 -203645.3709 2997.6413 0.0000 0.0000 52133.8161 -109153.7479 299.6138 -161287.5640 -108785.5238 299.2574 197.7992 225.7653 763123.9700 -10.0668 -10.1108 PRESSURE: 339400 116.761 44.2591 -44.9889 44.2587 193.447 -68.4879 -44.9893 -68.4887 471.815 GPRESSURE: 339400 194.145 -14.3233 -58.6783 43.8764 207.673 -45.7417 -110.745 -70.3572 466.657 PRESSAVG: 339400 62.3199 77.0101 -70.1511 77.0101 -63.3866 -7.41689 -70.1511 -7.41692 12.1673 GPRESSAVG: 339400 61.3593 77.9413 -71.4395 78.3511 -63.9404 -4.9266 -69.8259 -9.76344 13.1299 TIMING: 339400 CPU: 1071.97, 0.00314939/step Wall: 1071.97, 0.00314939/step, 4.07724 hours remaining, 233.671875 MB of memory in use. ENERGY: 339400 3967.7465 20547.7958 14534.9314 227.7723 -203398.8726 2745.8585 0.0000 0.0000 52018.6938 -109356.0745 298.9521 -161374.7683 -109004.1720 299.9765 260.6746 289.4916 761589.5098 3.7002 3.5162 PRESSURE: 339600 -202.198 -208.544 119.044 -208.543 129.349 107.685 119.044 107.685 199.16 GPRESSURE: 339600 -79.6517 -181.905 145.703 -255.553 26.6111 31.4819 85.5643 184.15 258.208 PRESSAVG: 339600 -7.41014 -38.1262 -25.5929 -38.1261 11.9469 29.7701 -25.5929 29.7701 -13.5449 GPRESSAVG: 339600 -5.74002 -39.6811 -25.4416 -37.8867 11.1143 26.214 -26.5327 31.8227 -14.5943 TIMING: 339600 CPU: 1072.6, 0.00314408/step Wall: 1072.6, 0.00314408/step, 4.07019 hours remaining, 233.671875 MB of memory in use. ENERGY: 339600 4031.6123 20569.3638 14515.1826 232.1763 -203485.1321 2767.8644 0.0000 0.0000 52083.3495 -109285.5832 299.3237 -161368.9327 -108918.3024 299.7575 42.1037 68.3892 762656.5708 -3.0027 -3.0733 PRESSURE: 339800 -294.386 -153.172 203.044 -153.172 -52.5707 -141.288 203.043 -141.287 42.8269 GPRESSURE: 339800 -188.079 -33.1827 205.588 -162.103 -12.8088 -105.556 262.485 -19.3504 -44.5575 PRESSAVG: 339800 -7.17396 -17.8419 32.8708 -17.8419 20.7325 -3.70453 32.8707 -3.70452 5.65314 GPRESSAVG: 339800 -7.64392 -17.0437 34.6263 -18.0407 21.0429 -2.31767 33.3939 -4.03529 5.55386 TIMING: 339800 CPU: 1073.22, 0.00314443/step Wall: 1073.22, 0.00314443/step, 4.07047 hours remaining, 233.671875 MB of memory in use. ENERGY: 339800 4035.5022 20536.8886 14472.6577 238.9514 -203041.6813 2335.9261 0.0000 0.0000 52124.3705 -109297.3848 299.5595 -161421.7553 -108922.5526 299.5575 -101.3768 -81.8152 761755.7325 6.4039 6.3176 PRESSURE: 340000 523.828 -153.806 53.6615 -153.806 466.006 102.485 53.6614 102.484 208.202 GPRESSURE: 340000 496.843 -182.185 33.4269 -261.154 495.691 92.8227 117.78 -145.903 280.235 PRESSAVG: 340000 20.8031 -20.0942 -16.9808 -20.0942 -15.1031 19.8832 -16.9809 19.8832 -5.65728 GPRESSAVG: 340000 20.6792 -20.5092 -18.8973 -19.0176 -16.0921 20.1083 -19.0286 21.0156 -5.41086 TIMING: 340000 CPU: 1073.85, 0.00314085/step Wall: 1073.85, 0.00314085/step, 4.06566 hours remaining, 233.671875 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: 340000 3958.2486 20589.9296 14475.8662 237.0773 -203820.1670 2896.8725 0.0000 0.0000 52142.6431 -109519.5298 299.6645 -161662.1728 -109161.7548 299.8816 399.3453 424.2563 758470.3579 0.0142 -0.2746 PRESSURE: 340200 255.122 -51.0303 5.79122 -51.0308 -305.974 13.6699 5.7908 13.6706 235.336 GPRESSURE: 340200 182.154 103.695 103.937 -26.4907 -153.388 -23.9677 45.7596 -15.6005 238.536 PRESSAVG: 340200 31.296 10.0205 -1.70906 10.0205 -11.7748 -8.68402 -1.70901 -8.68404 -2.67399 GPRESSAVG: 340200 30.9605 11.4739 -1.58692 10.0956 -10.2791 -6.57051 -0.124778 -12.509 -4.219 TIMING: 340200 CPU: 1074.48, 0.00313446/step Wall: 1074.48, 0.00313446/step, 4.0572 hours remaining, 233.671875 MB of memory in use. ENERGY: 340200 4015.0576 20705.6183 14443.4540 232.0394 -203281.6547 2438.2166 0.0000 0.0000 51977.1956 -109470.0731 298.7137 -161447.2687 -109106.6572 299.5296 61.4945 89.1004 760430.5279 5.6157 5.4875 LDB: ============= START OF LOAD BALANCING ============== 1087.01 LDB: ============== END OF LOAD BALANCING =============== 1087.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1087.01 LDB: ============= START OF LOAD BALANCING ============== 1087.33 LDB: Largest compute 7060 load 0.029794 is 15.3% of average load 0.195108 LDB: Average compute 0.004400 is 2.3% of average load 0.195108 LDB: TIME 1087.33 LOAD: AVG 0.195108 MAX 0.216219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.633 MB LDB: TIME 1087.33 LOAD: AVG 0.195108 MAX 0.216219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.633 MB LDB: TIME 1087.33 LOAD: AVG 0.195108 MAX 0.216219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.633 MB LDB: ============== END OF LOAD BALANCING =============== 1087.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1087.34 PRESSURE: 340400 13.6258 14.0707 -347.938 14.0702 34.334 28.2442 -347.939 28.2444 142.364 GPRESSURE: 340400 24.8436 51.8127 -379.101 105.503 65.3915 51.1298 -237.446 106.448 158.752 PRESSAVG: 340400 58.7922 -4.83328 4.19221 -4.83326 -45.5415 -10.6138 4.19217 -10.6139 -14.1479 GPRESSAVG: 340400 57.713 -5.89943 4.67607 -6.26044 -45.8153 -12.1821 2.32037 -7.86568 -13.2424 TIMING: 340400 CPU: 1075.12, 0.00320989/step Wall: 1075.12, 0.00320989/step, 4.15467 hours remaining, 232.109375 MB of memory in use. ENERGY: 340400 3945.2216 20658.7125 14477.4966 246.5481 -203525.8288 2740.0021 0.0000 0.0000 52236.3634 -109221.4845 300.2031 -161457.8479 -108853.5369 299.5836 63.4413 82.9956 761582.6947 -0.2991 -0.4482 PRESSURE: 340600 -314.694 227.941 -201.217 227.94 225.401 -348.345 -201.217 -348.345 58.2606 GPRESSURE: 340600 -235.681 180.668 -208.043 94.9214 242.227 -321.517 -55.6586 -360.807 60.3563 PRESSAVG: 340600 11.8255 5.14555 -26.0358 5.14556 -6.17202 13.4288 -26.0358 13.4288 11.0036 GPRESSAVG: 340600 13.0307 5.0456 -25.973 4.17447 -7.28789 12.6972 -23.7496 14.1994 11.2047 TIMING: 340600 CPU: 1075.75, 0.00314824/step Wall: 1075.75, 0.00314824/step, 4.07469 hours remaining, 232.121094 MB of memory in use. ENERGY: 340600 4004.8672 20508.3146 14481.5761 256.4499 -203061.4934 2516.1690 0.0000 0.0000 52077.2274 -109216.8891 299.2885 -161294.1165 -108849.1662 299.9451 -10.3439 22.3009 761661.2104 5.5524 5.6492 PRESSURE: 340800 89.2397 64.7556 199.397 64.7552 9.91865 -93.1366 199.397 -93.138 -279.382 GPRESSURE: 340800 110.705 118.816 212.005 -24.9423 57.3833 11.2894 189.588 35.832 -272.947 PRESSAVG: 340800 35.091 32.2162 62.7228 32.2163 31.8134 11.7015 62.7229 11.7015 20.369 GPRESSAVG: 340800 35.2843 31.7891 61.4376 31.6512 32.2895 12.2076 64.6339 12.13 19.4949 TIMING: 340800 CPU: 1076.38, 0.00314146/step Wall: 1076.38, 0.00314146/step, 4.06575 hours remaining, 232.121094 MB of memory in use. ENERGY: 340800 3951.4772 20517.7288 14420.8722 248.2446 -203185.3922 2587.8659 0.0000 0.0000 52180.4957 -109278.7077 299.8820 -161459.2034 -108914.8962 300.0991 -60.0744 -34.9531 760713.4683 29.0912 29.0229 PRESSURE: 341000 19.8846 -159.216 72.573 -159.215 -39.9558 189.437 72.5728 189.436 137.367 GPRESSURE: 341000 37.9363 -61.4993 40.1651 -88.9451 -54.7254 289.101 80.4806 92.2523 224.946 PRESSAVG: 341000 19.6001 -8.47997 17.1971 -8.47993 6.6797 13.8132 17.197 13.8132 15.6093 GPRESSAVG: 341000 19.8253 -9.04401 17.9197 -4.37048 6.96025 13.7432 15.3031 12.583 15.3539 TIMING: 341000 CPU: 1077.01, 0.00313426/step Wall: 1077.01, 0.00313426/step, 4.05625 hours remaining, 232.121094 MB of memory in use. ENERGY: 341000 3927.6289 20570.6710 14479.5743 233.3451 -203391.8662 2547.2908 0.0000 0.0000 52085.3321 -109548.0240 299.3351 -161633.3561 -109170.8109 299.5957 39.0986 69.3857 762056.2213 13.9630 14.0465 PRESSURE: 341200 -294.467 220.492 51.0323 220.492 123.774 -173.531 51.0323 -173.532 -537.838 GPRESSURE: 341200 -218.685 176.746 66.6105 269.37 156.574 -198.605 -3.26897 -34.8368 -544.82 PRESSAVG: 341200 2.64941 16.2922 25.3276 16.2921 17.0258 -14.1559 25.3276 -14.156 2.99458 GPRESSAVG: 341200 1.76934 17.1825 25.9105 15.1796 17.649 -16.0227 26.4574 -12.8857 2.7865 TIMING: 341200 CPU: 1077.63, 0.00314342/step Wall: 1077.63, 0.00314342/step, 4.06793 hours remaining, 232.121094 MB of memory in use. ENERGY: 341200 4083.7120 20518.0352 14398.3983 253.3130 -203277.8197 2662.8129 0.0000 0.0000 51841.9105 -109519.6376 297.9362 -161361.5481 -109155.0676 299.3470 -236.1771 -202.3105 762739.8801 7.5566 7.4016 PRESSURE: 341400 -167.913 -6.86074 49.3937 -6.86098 -117.369 234.806 49.3948 234.806 59.4507 GPRESSURE: 341400 -95.1 -66.9675 70.4583 -21.5933 -124.422 230.582 0.754008 191.176 80.4543 PRESSAVG: 341400 -45.1047 -18.4053 15.1964 -18.4053 8.57467 -31.9922 15.1964 -31.9923 9.89655 GPRESSAVG: 341400 -42.9517 -17.7914 15.4765 -20.0325 5.35561 -30.1 13.585 -33.5226 11.0391 TIMING: 341400 CPU: 1078.26, 0.00313794/step Wall: 1078.26, 0.00313794/step, 4.06067 hours remaining, 232.324219 MB of memory in use. ENERGY: 341400 4001.0840 20608.9275 14470.8574 259.4164 -203518.5272 2611.3936 0.0000 0.0000 51929.4027 -109637.4456 298.4390 -161566.8483 -109282.6889 298.9045 -75.2772 -46.3559 762795.9824 -8.8778 -8.8523 PRESSURE: 341600 -277.335 244.6 -14.7211 244.6 52.7705 31.0654 -14.7212 31.0659 181.717 GPRESSURE: 341600 -301.38 110.998 55.0907 211.557 147.221 29.5859 48.0656 90.98 193.385 PRESSAVG: 341600 53.9205 -3.85411 -3.79242 -3.85406 -19.4061 8.53046 -3.79246 8.53049 -18.1485 GPRESSAVG: 341600 54.4489 -6.24217 -4.81071 -1.44529 -18.1886 8.71638 -3.93447 10.919 -19.4051 TIMING: 341600 CPU: 1078.89, 0.00312892/step Wall: 1078.89, 0.00312892/step, 4.04882 hours remaining, 232.324219 MB of memory in use. ENERGY: 341600 3887.4681 20609.7356 14424.6995 239.5393 -203374.9160 2457.4715 0.0000 0.0000 52099.5304 -109656.4717 299.4167 -161756.0021 -109288.8930 298.6734 -14.2824 13.0754 761516.8381 5.4553 5.6184 PRESSURE: 341800 -182.713 172.281 -71.2935 172.281 -96.8089 265.508 -71.2936 265.508 351.119 GPRESSURE: 341800 -49.2444 159.377 19.0674 189.731 -106.155 254.555 0.891921 309.001 308.818 PRESSAVG: 341800 -5.04187 52.0625 22.2748 52.0624 -10.3268 30.1954 22.2748 30.1954 -6.39182 GPRESSAVG: 341800 -5.45032 52.3909 23.5333 49.5858 -9.73196 28.0612 21.4993 27.6453 -6.65072 TIMING: 341800 CPU: 1079.52, 0.00315437/step Wall: 1079.52, 0.00315437/step, 4.08158 hours remaining, 232.324219 MB of memory in use. ENERGY: 341800 4087.9965 20522.0611 14454.9886 238.3036 -203695.9234 2857.5514 0.0000 0.0000 52057.5772 -109477.4449 299.1756 -161535.0221 -109112.0682 298.5724 23.8658 51.1394 760795.1260 -7.2535 -7.2777 PRESSURE: 342000 -175.972 105.123 -66.914 105.122 364.905 296.317 -66.9146 296.316 281.145 GPRESSURE: 342000 -78.763 15.222 -139.517 121.831 248.057 333.746 -15.9766 367.081 388.656 PRESSAVG: 342000 -16.727 20.0703 2.21019 20.0703 18.1751 21.9156 2.2102 21.9157 4.11322 GPRESSAVG: 342000 -17.9675 23.5429 3.05458 17.5233 17.8378 23.8382 3.58309 23.4716 5.80386 TIMING: 342000 CPU: 1080.15, 0.00314777/step Wall: 1080.15, 0.00314777/step, 4.07286 hours remaining, 232.324219 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: 342000 3990.1723 20626.7265 14456.5998 261.0483 -203533.9682 2568.4802 0.0000 0.0000 51990.7871 -109640.1539 298.7918 -161630.9410 -109282.3043 299.4157 156.6927 185.9831 760928.5146 1.8538 1.8914 PRESSURE: 342200 11.5151 47.6188 105.759 47.6186 55.0148 -19.0915 105.759 -19.0915 10.9374 GPRESSURE: 342200 56.1343 -53.9369 50.9493 138.775 16.367 -29.308 102.166 89.3734 106.086 PRESSAVG: 342200 25.6497 5.98042 -5.80473 5.98041 43.9629 51.9931 -5.80466 51.9931 -4.77334 GPRESSAVG: 342200 25.7455 4.88217 -7.7813 9.13552 44.4445 50.7836 -5.71767 51.4005 -5.2817 TIMING: 342200 CPU: 1080.78, 0.00314592/step Wall: 1080.78, 0.00314592/step, 4.07029 hours remaining, 232.324219 MB of memory in use. ENERGY: 342200 3974.0960 20475.7405 14426.5583 240.0670 -203721.1904 2576.4008 0.0000 0.0000 52170.1205 -109858.2073 299.8224 -162028.3278 -109481.4454 298.9415 25.8224 59.5291 760424.4702 21.6131 21.6361 PRESSURE: 342400 -43.6083 28.6238 158.137 28.6235 -81.7051 11.5245 158.136 11.5262 444.34 GPRESSURE: 342400 24.3438 88.2003 57.6262 -39.8065 -13.244 39.6267 274.076 -2.26733 408.468 PRESSAVG: 342400 52.2159 9.41614 -35.8891 9.41613 -75.6337 15.4145 -35.8892 15.4145 -13.5676 GPRESSAVG: 342400 53.1288 8.95005 -36.1636 8.17654 -75.4113 16.493 -36.1161 15.5473 -13.9298 TIMING: 342400 CPU: 1081.41, 0.00314324/step Wall: 1081.41, 0.00314324/step, 4.06665 hours remaining, 232.324219 MB of memory in use. ENERGY: 342400 3968.7585 20287.6367 14426.7896 273.3390 -203948.6630 2916.1752 0.0000 0.0000 52127.0907 -109948.8733 299.5751 -162075.9640 -109589.2864 298.3106 106.3422 139.8558 761051.5310 -12.3285 -12.0708 PRESSURE: 342600 -35.201 -22.6068 -162.744 -22.6074 -172.474 2.97708 -162.743 2.97804 145.362 GPRESSURE: 342600 38.0407 -120.103 -94.3444 -52.1161 -125.074 67.961 -73.7178 54.9505 107.066 PRESSAVG: 342600 0.936071 -6.03624 -5.20838 -6.03623 42.0197 11.5295 -5.20839 11.5295 20.8774 GPRESSAVG: 342600 0.0561391 -6.7103 -3.36922 -4.60369 42.8833 11.2177 -5.18434 12.9926 20.6932 TIMING: 342600 CPU: 1082.04, 0.00314405/step Wall: 1082.04, 0.00314405/step, 4.06753 hours remaining, 232.324219 MB of memory in use. ENERGY: 342600 4006.6112 20540.2749 14422.9736 245.9779 -203714.6851 2827.6168 0.0000 0.0000 51636.1138 -110035.1168 296.7535 -161671.2307 -109675.1684 298.3665 -20.7712 6.6777 763138.0230 21.2777 21.2109 PRESSURE: 342800 232.033 146.943 100.291 146.942 191.572 181.31 100.29 181.31 370.769 GPRESSURE: 342800 221.739 151.718 -13.0073 94.3775 296.149 159.312 65.1139 91.913 350.012 PRESSAVG: 342800 -51.3111 56.8725 40.9029 56.8725 3.88277 2.95128 40.9029 2.95121 -1.4544 GPRESSAVG: 342800 -51.781 56.9911 39.5308 55.1074 5.21576 2.36096 39.0013 1.93035 -1.77831 TIMING: 342800 CPU: 1082.66, 0.00313433/step Wall: 1082.66, 0.00313433/step, 4.05478 hours remaining, 232.324219 MB of memory in use. ENERGY: 342800 3917.5492 20566.9020 14366.8535 253.4750 -203772.6439 2956.3011 0.0000 0.0000 51692.9416 -110018.6214 297.0800 -161711.5630 -109664.7866 297.7811 264.7916 289.3000 762285.2326 -16.2943 -16.1145 PRESSURE: 343000 -330.155 -209.625 -115.334 -209.625 -270.199 45.9393 -115.335 45.939 -134.856 GPRESSURE: 343000 -246.41 -199.234 -79.2051 -230.365 -232.944 88.6497 -35.8219 142.131 -167.859 PRESSAVG: 343000 -32.573 24.8343 -26.2631 24.8343 40.1797 25.0258 -26.2631 25.0258 15.0699 GPRESSAVG: 343000 -32.0456 24.3823 -25.2409 26.4599 39.262 26.4932 -24.2759 25.0645 15.1702 TIMING: 343000 CPU: 1083.29, 0.00314394/step Wall: 1083.29, 0.00314394/step, 4.06703 hours remaining, 232.324219 MB of memory in use. ENERGY: 343000 4087.8811 20474.1935 14373.4734 249.3413 -203115.2845 2344.1405 0.0000 0.0000 51789.2412 -109797.0134 297.6335 -161586.2546 -109447.4511 298.0749 -245.0699 -215.7378 761057.0292 7.5589 7.4622 PRESSURE: 343200 -99.3171 36.5489 26.1324 36.5488 -83.6633 -84.1414 26.1332 -84.1421 53.8334 GPRESSURE: 343200 -0.277258 -57.2943 -10.3542 201.684 -120.955 -93.7359 123.036 -145.611 100.653 PRESSAVG: 343200 62.5417 42.1011 18.3047 42.1011 -5.63448 -23.2136 18.3047 -23.2136 5.7516 GPRESSAVG: 343200 63.4922 41.6579 16.4273 42.8384 -6.70869 -24.6542 16.61 -24.2119 6.1434 TIMING: 343200 CPU: 1083.92, 0.00313755/step Wall: 1083.92, 0.00313754/step, 4.05859 hours remaining, 232.324219 MB of memory in use. ENERGY: 343200 4001.3176 20462.4504 14437.1689 260.1641 -203637.1701 2612.4442 0.0000 0.0000 52020.2144 -109843.4104 298.9609 -161863.6248 -109472.3792 298.3309 -43.0490 -6.8597 759869.3571 20.8863 20.9756 PRESSURE: 343400 -213.963 115.445 -97.6776 115.445 -100.581 61.043 -97.6768 61.0425 -440.711 GPRESSURE: 343400 -209.525 133.008 -197.273 93.1702 -47.0529 31.6938 -98.5999 138.863 -426.001 PRESSAVG: 343400 -65.4907 21.9309 24.5129 21.9309 68.747 -15.6595 24.5129 -15.6595 -15.137 GPRESSAVG: 343400 -67.4 24.2857 24.766 18.301 69.3632 -15.8169 24.4127 -14.5598 -14.1973 TIMING: 343400 CPU: 1084.54, 0.00313159/step Wall: 1084.54, 0.00313159/step, 4.05072 hours remaining, 232.324219 MB of memory in use. ENERGY: 343400 3968.6710 20507.8395 14437.7595 244.9559 -203135.9463 2353.5792 0.0000 0.0000 51776.8396 -109846.3016 297.5622 -161623.1413 -109480.1060 298.2676 -251.7517 -227.5262 763820.0690 -3.9602 -4.0781 PRESSURE: 343600 -236.43 247.2 4.50442 247.2 198.883 -174.155 4.50388 -174.156 363.079 GPRESSURE: 343600 -98.2998 144.642 34.4068 283.194 202.293 -187.22 -88.0125 -181.16 306.496 PRESSAVG: 343600 -11.3385 67.8692 -20.8398 67.8693 12.9187 45.6301 -20.8398 45.6302 8.80792 GPRESSAVG: 343600 -9.13084 65.5664 -20.11 71.3694 11.3211 45.3473 -22.1979 45.5651 8.45768 TIMING: 343600 CPU: 1085.17, 0.00313184/step Wall: 1085.17, 0.00313184/step, 4.05086 hours remaining, 232.324219 MB of memory in use. ENERGY: 343600 3895.9143 20439.7163 14406.6314 240.7218 -203742.7134 2856.7156 0.0000 0.0000 52248.8160 -109654.1980 300.2747 -161903.0139 -109300.6324 298.3454 108.5105 136.8299 762355.7464 3.4627 3.5493 PRESSURE: 343800 177.866 177.528 87.8217 177.527 -242.553 3.96066 87.8213 3.96005 -31.244 GPRESSURE: 343800 119.036 106.262 78.6522 145.055 -14.9218 -30.8097 66.4008 89.6384 -90.0853 PRESSAVG: 343800 19.538 81.1142 -34.9438 81.1142 -9.8988 -5.97434 -34.9438 -5.97437 24.1808 GPRESSAVG: 343800 16.2592 81.4873 -35.765 82.0131 -6.90855 -5.62694 -34.1817 -6.33451 24.6482 TIMING: 343800 CPU: 1085.8, 0.00313065/step Wall: 1085.8, 0.00313065/step, 4.04915 hours remaining, 232.324219 MB of memory in use. ENERGY: 343800 3970.1537 20335.0474 14439.8084 262.6863 -203952.7198 3142.2354 0.0000 0.0000 52038.3951 -109764.3934 299.0654 -161802.7885 -109407.9943 298.5867 -31.9771 4.6764 762549.9229 11.2733 11.3330 PRESSURE: 344000 -111.114 128.19 -372.855 128.189 -119.062 40.6929 -372.855 40.6923 44.0387 GPRESSURE: 344000 -110.913 66.0566 -323.642 136.939 -64.4066 -9.56691 -340.273 85.174 81.7655 PRESSAVG: 344000 18.7215 8.77251 -25.6876 8.77256 16.354 8.05476 -25.6875 8.05472 -2.0259 GPRESSAVG: 344000 21.1908 11.3891 -26.1623 5.37273 14.9806 8.46685 -22.2766 9.74625 -2.6347 TIMING: 344000 CPU: 1086.43, 0.0031584/step Wall: 1086.43, 0.0031584/step, 4.08486 hours remaining, 232.324219 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: 344000 3984.1728 20363.9206 14368.9215 240.9537 -203426.4476 2581.2554 0.0000 0.0000 52010.1698 -109877.0538 298.9032 -161887.2237 -109507.4412 299.0319 -62.0456 -31.1847 761389.8554 11.0166 11.1789 PRESSURE: 344200 -179.597 -48.4517 71.1768 -48.4517 -237.852 83.6461 71.1764 83.6468 -74.3321 GPRESSURE: 344200 -265.337 -99.3384 43.8652 -90.9383 -146.854 -5.8228 76.241 156.531 8.33768 PRESSAVG: 344200 -26.1542 -18.7874 52.3813 -18.7874 33.4936 -19.3712 52.3814 -19.3712 25.3275 GPRESSAVG: 344200 -26.7476 -20.4409 52.2295 -17.6296 34.2444 -19.3588 51.0453 -18.9178 24.7264 TIMING: 344200 CPU: 1087.05, 0.00312667/step Wall: 1087.05, 0.00312667/step, 4.04365 hours remaining, 232.324219 MB of memory in use. ENERGY: 344200 3996.2554 20441.5659 14444.5103 250.4473 -203268.3528 2402.1223 0.0000 0.0000 51849.8017 -109883.6500 297.9815 -161733.4517 -109533.0131 298.4965 -163.9270 -134.6179 761691.8693 10.8890 10.7411 LDB: ============= START OF LOAD BALANCING ============== 1099.59 LDB: ============== END OF LOAD BALANCING =============== 1099.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1099.59 LDB: ============= START OF LOAD BALANCING ============== 1099.9 LDB: Largest compute 7026 load 0.031148 is 16.0% of average load 0.195125 LDB: Average compute 0.004396 is 2.3% of average load 0.195125 LDB: TIME 1099.9 LOAD: AVG 0.195125 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.145 MB LDB: TIME 1099.91 LOAD: AVG 0.195125 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.145 MB LDB: TIME 1099.91 LOAD: AVG 0.195125 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.145 MB LDB: ============== END OF LOAD BALANCING =============== 1099.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1099.91 PRESSURE: 344400 -446.744 -14.0077 116.881 -14.0071 -293.044 71.4816 116.881 71.4821 8.71 GPRESSURE: 344400 -470.891 38.1842 95.6503 -12.7823 -266.185 64.0618 187.153 -10.0787 94.9014 PRESSAVG: 344400 -72.7724 4.60757 3.27642 4.60762 26.5809 -30.8617 3.27636 -30.8617 1.59402 GPRESSAVG: 344400 -73.8985 3.69464 3.67013 4.75272 26.7536 -31.8799 2.73218 -32.1589 1.87587 TIMING: 344400 CPU: 1087.7, 0.00320551/step Wall: 1087.7, 0.00320551/step, 4.14544 hours remaining, 232.890625 MB of memory in use. ENERGY: 344400 3938.2948 20503.2112 14449.8808 241.2462 -203269.8231 2511.4176 0.0000 0.0000 51745.4126 -109880.3600 297.3816 -161625.7726 -109526.8957 298.2476 -243.6924 -214.0581 762448.9302 -14.8658 -15.0897 PRESSURE: 344600 53.8985 40.5694 -83.8647 40.5696 127.968 244.079 -83.8647 244.079 -140.327 GPRESSURE: 344600 43.7971 76.3298 -117.045 5.17116 215.58 182.563 -101.626 117.185 -138.084 PRESSAVG: 344600 -75.2321 5.0771 -28.4722 5.07717 64.6664 -30.9534 -28.4722 -30.9534 1.18104 GPRESSAVG: 344600 -73.8071 5.40535 -28.5984 6.45426 63.5066 -29.6315 -28.3521 -31.8331 1.02279 TIMING: 344600 CPU: 1088.32, 0.00314129/step Wall: 1088.32, 0.00314129/step, 4.06221 hours remaining, 232.890625 MB of memory in use. ENERGY: 344600 3887.9032 20709.7149 14420.5213 253.6009 -203420.5364 2767.1658 0.0000 0.0000 51950.2424 -109431.3878 298.5588 -161381.6302 -109066.5408 299.1513 13.8464 40.4307 762455.4940 -3.1282 -3.0926 PRESSURE: 344800 126.853 22.4519 -32.1329 22.4516 192.721 34.6028 -32.1334 34.6019 -147.354 GPRESSURE: 344800 139.87 -15.4079 -106.613 -7.8141 196.566 -25.2303 -65.1723 46.9077 -83.0276 PRESSAVG: 344800 -22.9558 3.19264 -16.5336 3.19265 42.5647 22.0933 -16.5336 22.0933 1.88275 GPRESSAVG: 344800 -25.45 3.12756 -15.3555 4.29634 44.0224 21.6846 -17.4762 25.1359 2.55789 TIMING: 344800 CPU: 1088.96, 0.0031761/step Wall: 1088.96, 0.0031761/step, 4.10705 hours remaining, 232.890625 MB of memory in use. ENERGY: 344800 4014.9431 20300.9574 14397.3587 247.6106 -203351.3153 2656.4570 0.0000 0.0000 52125.7929 -109608.1957 299.5676 -161733.9886 -109248.1436 298.9199 57.4068 84.4694 760999.2292 7.1639 7.0434 PRESSURE: 345000 -27.246 248.389 -409.529 248.39 71.7029 329.821 -409.529 329.821 -56.1177 GPRESSURE: 345000 18.7107 184.384 -418.606 220.625 78.6436 170.716 -268.525 330.502 -23.8432 PRESSAVG: 345000 -23.8129 -10.1105 -13.8546 -10.1106 63.5274 -3.49886 -13.8546 -3.49876 18.5381 GPRESSAVG: 345000 -23.185 -8.27653 -12.7168 -13.1377 61.7393 -3.02956 -14.1999 -6.78146 19.0397 TIMING: 345000 CPU: 1089.59, 0.00316284/step Wall: 1089.59, 0.00316284/step, 4.08973 hours remaining, 232.890625 MB of memory in use. ENERGY: 345000 3955.1760 20461.1742 14404.3728 246.6793 -203177.9494 2706.6182 0.0000 0.0000 51714.4093 -109689.5195 297.2034 -161403.9287 -109323.4324 298.7444 -3.8870 24.5037 762774.5984 19.4176 19.1980 PRESSURE: 345200 -30.6167 -148.537 -68.6044 -148.538 202.669 187.216 -68.6046 187.215 -119.257 GPRESSURE: 345200 7.08459 -124.369 -137.684 -216.289 157.214 120.71 -56.5691 74.3662 -33.3378 PRESSAVG: 345200 -19.88 -29.3125 -7.21963 -29.3124 71.0951 92.4269 -7.21965 92.4268 -16.7499 GPRESSAVG: 345200 -19.2579 -30.575 -6.59803 -27.4562 71.1569 91.5295 -8.02884 91.5201 -17.3402 TIMING: 345200 CPU: 1090.22, 0.00314805/step Wall: 1090.22, 0.00314805/step, 4.07042 hours remaining, 232.890625 MB of memory in use. ENERGY: 345200 3984.1149 20478.1557 14458.4538 261.8917 -203220.7893 2484.9903 0.0000 0.0000 51874.8757 -109678.3073 298.1256 -161553.1829 -109322.4962 298.5143 17.5985 43.6535 760944.3556 11.4884 11.5196 PRESSURE: 345400 -256.313 -142.034 75.2548 -142.034 -402.411 180.292 75.2545 180.293 -134.209 GPRESSURE: 345400 -207.573 -133.072 158.411 39.9397 -334.719 84.7076 63.4901 183.827 -150.103 PRESSAVG: 345400 -11.8663 -55.4731 7.40733 -55.4731 28.6477 8.73812 7.40737 8.73816 11.8076 GPRESSAVG: 345400 -12.6272 -51.7714 6.42688 -57.2547 28.6884 8.87657 8.75318 9.44685 11.9257 TIMING: 345400 CPU: 1090.85, 0.00313194/step Wall: 1090.85, 0.00313194/step, 4.04942 hours remaining, 232.890625 MB of memory in use. ENERGY: 345400 4033.8064 20344.2503 14392.1373 268.7241 -203216.5896 2496.9008 0.0000 0.0000 51977.2203 -109703.5504 298.7138 -161680.7707 -109337.8329 298.8226 -264.3108 -230.7984 761677.1724 9.5297 9.3290 PRESSURE: 345600 9.66464 -95.6297 -150.464 -95.6299 89.3766 -115.078 -150.464 -115.078 15.3572 GPRESSURE: 345600 -34.1361 -89.1995 -198.271 -167.488 210.948 -97.9927 -100.36 7.14751 33.787 PRESSAVG: 345600 2.80362 -1.20188 66.3099 -1.20184 12.0307 48.0482 66.31 48.0482 -14.006 GPRESSAVG: 345600 2.73948 -5.65167 66.5105 -0.959605 12.61 47.7812 66.4992 48.1371 -14.1543 TIMING: 345600 CPU: 1091.48, 0.00314163/step Wall: 1091.48, 0.00314163/step, 4.06178 hours remaining, 232.890625 MB of memory in use. ENERGY: 345600 3944.7631 20456.7794 14460.4692 243.2945 -202997.6390 2196.2417 0.0000 0.0000 51940.2287 -109755.8625 298.5012 -161696.0912 -109393.7408 298.4486 38.1328 70.1997 760380.8780 0.2761 0.3984 PRESSURE: 345800 347.026 -6.40534 30.035 -6.40531 71.4611 18.4969 30.0346 18.4971 -23.3339 GPRESSURE: 345800 402.758 67.1177 -26.6674 126.285 116.648 -23.2321 -11.7657 57.3382 -21.4514 PRESSAVG: 345800 -40.907 26.1875 -27.2266 26.1875 9.13801 40.6632 -27.2267 40.6631 9.92552 GPRESSAVG: 345800 -39.7359 27.9772 -29.0207 26.9458 8.76782 40.3153 -27.168 41.636 8.91572 TIMING: 345800 CPU: 1092.1, 0.00313026/step Wall: 1092.1, 0.00313026/step, 4.04691 hours remaining, 232.890625 MB of memory in use. ENERGY: 345800 3954.5346 20420.7743 14506.0582 245.7366 -203271.8206 2562.5066 0.0000 0.0000 51892.0128 -109690.1973 298.2241 -161582.2101 -109334.1625 298.3729 131.7177 165.9849 759886.4317 -7.2812 -7.3508 PRESSURE: 346000 69.2946 51.8478 258.565 51.8478 143.698 34.1625 258.565 34.1634 247.085 GPRESSURE: 346000 134.836 -53.5489 296.8 -36.5483 92.3068 -18.2264 110.465 63.9326 307.878 PRESSAVG: 346000 5.85126 16.4517 20.8428 16.4517 20.6321 19.1947 20.8428 19.1947 11.6676 GPRESSAVG: 346000 5.10965 16.5591 21.6379 14.4742 21.0337 20.1685 20.1025 20.6494 12.296 TIMING: 346000 CPU: 1092.73, 0.00313537/step Wall: 1092.73, 0.00313537/step, 4.05333 hours remaining, 232.890625 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: 346000 3965.0614 20450.7719 14449.1281 254.6136 -204046.5108 2846.7406 0.0000 0.0000 52451.4360 -109628.7591 301.4391 -162080.1951 -109263.9568 298.7646 153.3593 178.3404 758790.6385 12.7170 12.8131 PRESSURE: 346200 68.1771 159.791 191.656 159.791 -105.647 -62.9411 191.656 -62.9406 126.872 GPRESSURE: 346200 93.7578 159.513 123.786 70.4795 -1.72757 -50.6475 287.788 -90.3906 101.263 PRESSAVG: 346200 -23.2997 23.7922 79.4258 23.7923 25.9654 -10.1325 79.4257 -10.1325 5.76449 GPRESSAVG: 346200 -22.435 23.5995 79.1495 23.9834 25.3675 -9.3747 81.1264 -11.521 5.31362 TIMING: 346200 CPU: 1093.35, 0.00312289/step Wall: 1093.35, 0.0031229/step, 4.03704 hours remaining, 232.890625 MB of memory in use. ENERGY: 346200 4000.3366 20633.6713 14387.8725 241.9896 -203708.4470 2681.0220 0.0000 0.0000 52067.9985 -109695.5564 299.2355 -161763.5549 -109336.8605 298.7892 29.8007 64.4310 759294.8389 2.8101 2.7487 PRESSURE: 346400 35.8413 -107.042 383.235 -107.041 154.852 -76.7419 383.235 -76.7416 -141.293 GPRESSURE: 346400 26.6901 -181.031 352.417 63.038 252.79 -97.6935 304.039 -99.075 -153.101 PRESSAVG: 346400 -52.963 -7.26373 52.3593 -7.26372 65.0815 -21.1595 52.3592 -21.1595 -38.2009 GPRESSAVG: 346400 -53.4435 -6.17314 52.7872 -6.97069 65.218 -22.4121 50.1578 -19.9688 -37.701 TIMING: 346400 CPU: 1093.98, 0.00312989/step Wall: 1093.98, 0.00312989/step, 4.04591 hours remaining, 232.890625 MB of memory in use. ENERGY: 346400 4055.4949 20672.9262 14406.6208 255.1798 -203554.2517 2714.9670 0.0000 0.0000 52029.0985 -109419.9646 299.0119 -161449.0631 -109061.5091 298.8905 16.4667 42.1264 758651.3997 -8.6941 -8.6422 PRESSURE: 346600 18.8626 66.8947 -62.5728 66.894 -3.54019 160.338 -62.573 160.338 378.729 GPRESSURE: 346600 47.3653 125.23 -5.48934 14.7384 22.5729 215.46 -16.7826 257.37 401.715 PRESSAVG: 346600 -23.6363 -56.1088 -1.17225 -56.1088 36.9013 21.0563 -1.17219 21.0563 9.06654 GPRESSAVG: 346600 -24.9888 -55.7606 -1.04059 -55.3758 36.8778 22.6058 0.0815526 21.2626 10.0575 TIMING: 346600 CPU: 1094.61, 0.00313687/step Wall: 1094.61, 0.00313687/step, 4.05476 hours remaining, 232.890625 MB of memory in use. ENERGY: 346600 3960.7008 20502.2288 14547.9312 267.1059 -203778.5552 2881.5952 0.0000 0.0000 52053.7107 -109565.2827 299.1534 -161618.9933 -109205.5066 299.3734 131.3503 157.2177 759018.0650 7.4438 7.3155 PRESSURE: 346800 77.5136 81.5825 -8.77266 81.5818 -177.646 -107.246 -8.77287 -107.247 -195.321 GPRESSURE: 346800 178.082 84.4488 8.7035 -28.9277 -195.009 -43.7886 -3.17739 -48.793 -171.672 PRESSAVG: 346800 27.5131 -26.5195 45.1171 -26.5195 -33.0567 3.20617 45.1172 3.20611 -4.50352 GPRESSAVG: 346800 27.8151 -28.3681 44.7511 -25.4182 -33.3619 2.64477 46.6022 0.696701 -4.25299 TIMING: 346800 CPU: 1095.24, 0.00315096/step Wall: 1095.24, 0.00315096/step, 4.0728 hours remaining, 232.890625 MB of memory in use. ENERGY: 346800 3993.9107 20531.3386 14421.2301 256.7569 -203471.1090 2693.0612 0.0000 0.0000 52041.6047 -109533.2068 299.0838 -161574.8115 -109165.8355 298.9010 -98.4845 -62.8662 761136.0000 -3.3490 -3.2666 PRESSURE: 347000 -55.9512 95.7336 -89.1054 95.7332 302.83 5.08054 -89.1061 5.08136 454.04 GPRESSURE: 347000 -105.566 85.7043 -98.4456 55.4087 406.518 13.4385 -87.7064 -4.13135 463.764 PRESSAVG: 347000 -38.4951 0.500753 14.6434 0.500708 53.6145 -0.445588 14.6435 -0.44558 0.591397 GPRESSAVG: 347000 -36.9144 1.50369 16.4427 -0.486709 53.9732 -0.763642 10.9141 -0.707087 -0.978245 TIMING: 347000 CPU: 1095.87, 0.00314983/step Wall: 1095.87, 0.00314983/step, 4.07116 hours remaining, 232.890625 MB of memory in use. ENERGY: 347000 3957.5226 20604.4231 14336.3314 254.1083 -203445.3571 2757.8488 0.0000 0.0000 52225.7292 -109309.3937 300.1420 -161535.1229 -108938.3288 299.4964 233.6398 254.9051 760614.3842 5.2369 5.3602 PRESSURE: 347200 81.528 -8.71613 76.8827 -8.7161 -24.3395 -226.544 76.8835 -226.544 99.0352 GPRESSURE: 347200 122.776 28.9574 46.5611 43.7779 13.4589 -298.389 8.71269 -87.4856 120.431 PRESSAVG: 347200 37.4496 51.3531 29.6292 51.3531 0.588403 29.2848 29.6292 29.2848 12.1592 GPRESSAVG: 347200 36.2474 50.3667 27.9836 52.2947 1.62341 28.9842 31.913 30.0327 12.3724 TIMING: 347200 CPU: 1096.49, 0.00313451/step Wall: 1096.49, 0.00313451/step, 4.05118 hours remaining, 232.890625 MB of memory in use. ENERGY: 347200 4002.0689 20579.3781 14417.7146 230.8620 -203598.5928 2890.5184 0.0000 0.0000 52164.9522 -109313.0986 299.7927 -161478.0508 -108936.4708 299.3992 52.0746 85.5553 761424.1937 16.7324 16.7477 PRESSURE: 347400 -562.896 211.354 -85.6991 211.354 -118.281 -135.123 -85.6989 -135.123 -40.7978 GPRESSURE: 347400 -534.491 174.079 -73.447 301.431 -61.4081 -144.302 -42.7891 -57.9533 -45.9373 PRESSAVG: 347400 20.2369 40.4509 38.5017 40.4509 -12.9345 12.8665 38.5017 12.8665 -3.23598 GPRESSAVG: 347400 20.0042 41.5227 39.6347 41.3896 -12.6847 13.3146 37.6327 12.4841 -3.17681 TIMING: 347400 CPU: 1097.12, 0.00314965/step Wall: 1097.12, 0.00314965/step, 4.07057 hours remaining, 232.890625 MB of memory in use. ENERGY: 347400 4034.9224 20603.3238 14573.3106 243.2318 -203420.7371 2653.2110 0.0000 0.0000 51913.8515 -109398.8859 298.3496 -161312.7374 -109036.2967 299.4774 -240.6583 -213.9454 761823.4008 1.3555 1.3809 PRESSURE: 347600 164.145 12.7292 18.06 12.7278 329.889 -59.0226 18.0599 -59.0234 212.865 GPRESSURE: 347600 270.715 92.7779 -3.99268 -10.9814 332.447 -128.482 143.858 -112.37 187.891 PRESSAVG: 347600 -104.704 14.9367 -26.2439 14.9368 73.215 43.7436 -26.2439 43.7435 17.8269 GPRESSAVG: 347600 -105.057 15.3998 -26.8892 12.8587 72.7749 43.1628 -27.0811 45.8004 18.5327 TIMING: 347600 CPU: 1097.75, 0.00313195/step Wall: 1097.75, 0.00313195/step, 4.04752 hours remaining, 232.890625 MB of memory in use. ENERGY: 347600 3987.2056 20743.8012 14405.5167 238.3414 -203808.1901 2932.0545 0.0000 0.0000 51944.7611 -109556.5097 298.5273 -161501.2708 -109203.1610 299.5922 235.6329 263.6845 760633.4480 -4.5542 -4.5833 PRESSURE: 347800 -398.536 -48.1958 -148.971 -48.1954 -10.2048 56.5178 -148.97 56.5182 219.707 GPRESSURE: 347800 -359.946 10.1428 -153.062 5.12746 100.591 45.6311 -61.2123 -3.91729 136.655 PRESSAVG: 347800 -22.2789 27.4956 31.1525 27.4956 71.5363 -6.79537 31.1525 -6.79535 42.6351 GPRESSAVG: 347800 -21.7475 27.7198 31.0978 28.3211 71.4327 -6.67364 31.8082 -7.83199 42.0198 TIMING: 347800 CPU: 1098.37, 0.00311446/step Wall: 1098.37, 0.00311446/step, 4.02475 hours remaining, 232.890625 MB of memory in use. ENERGY: 347800 4007.6337 20669.0254 14445.4585 244.3986 -203590.0576 2678.2338 0.0000 0.0000 51793.9369 -109751.3706 297.6605 -161545.3075 -109393.2022 299.0549 -63.0111 -40.9003 760464.4431 30.6308 30.5683 PRESSURE: 348000 -145.973 20.178 24.2569 20.178 -128.897 25.2225 24.2571 25.2223 -139.821 GPRESSURE: 348000 -49.6575 135.037 155.751 -89.0399 -158.491 25.5438 86.6386 -12.8546 -137.808 PRESSAVG: 348000 -106.992 24.7475 -18.1299 24.7475 64.0288 19.6459 -18.1298 19.6459 -16.804 GPRESSAVG: 348000 -107.872 24.2705 -17.1181 24.6487 63.7421 19.0283 -16.212 18.7823 -15.6596 TIMING: 348000 CPU: 1099, 0.00314887/step Wall: 1099, 0.00314887/step, 4.06904 hours remaining, 232.890625 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: 348000 4020.9747 20521.0420 14443.7403 251.2605 -203148.0341 2361.8776 0.0000 0.0000 51967.4430 -109581.6960 298.6576 -161549.1390 -109215.8983 298.6714 -138.2303 -115.3189 761632.0298 -19.9224 -19.9300 PRESSURE: 348200 -123.798 -40.2028 189.55 -40.2012 186.616 -60.3317 189.55 -60.3314 -232.73 GPRESSURE: 348200 -34.0909 17.5005 213.596 -46.8057 151.822 -83.0485 163.16 -4.29098 -177.321 PRESSAVG: 348200 -47.5434 63.6234 53.6311 63.6235 44.8647 4.85618 53.6311 4.85622 -0.236964 GPRESSAVG: 348200 -45.2602 64.8078 52.376 64.3066 43.1009 5.40322 51.4108 4.16627 -0.446791 TIMING: 348200 CPU: 1099.63, 0.00315281/step Wall: 1099.63, 0.00315281/step, 4.07395 hours remaining, 232.890625 MB of memory in use. ENERGY: 348200 4040.1205 20364.0392 14445.0010 229.7612 -203215.8868 2496.3709 0.0000 0.0000 51848.3918 -109792.2022 297.9734 -161640.5941 -109425.9200 298.1619 -56.6374 -19.8633 760042.1271 -0.9719 -0.8687 LDB: ============= START OF LOAD BALANCING ============== 1112.17 LDB: ============== END OF LOAD BALANCING =============== 1112.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1112.17 LDB: ============= START OF LOAD BALANCING ============== 1112.49 LDB: Largest compute 7060 load 0.030540 is 15.6% of average load 0.195187 LDB: Average compute 0.004388 is 2.2% of average load 0.195187 LDB: TIME 1112.49 LOAD: AVG 0.195187 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.691 MB LDB: TIME 1112.49 LOAD: AVG 0.195187 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: TIME 1112.49 LOAD: AVG 0.195187 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.691 MB LDB: ============== END OF LOAD BALANCING =============== 1112.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1112.5 PRESSURE: 348400 510.172 -227.675 -109.713 -227.675 -148.488 -119.692 -109.712 -119.693 252.002 GPRESSURE: 348400 378.79 -289.364 -50.479 -198.319 -5.54532 -133.368 -137.819 -81.5833 324.941 PRESSAVG: 348400 26.87 -5.71421 -36.7669 -5.71427 -18.6009 42.2024 -36.7669 42.2024 6.44855 GPRESSAVG: 348400 25.4405 -5.29841 -35.8277 -6.94816 -16.4166 41.0449 -38.5398 43.1379 6.02016 TIMING: 348400 CPU: 1100.28, 0.00322842/step Wall: 1100.28, 0.00322842/step, 4.17147 hours remaining, 231.609375 MB of memory in use. ENERGY: 348400 3920.9904 20409.7328 14429.7020 220.7245 -203694.1854 2758.1493 0.0000 0.0000 52042.2026 -109912.6838 299.0873 -161954.8864 -109548.9642 298.5220 204.5618 232.7288 759877.2227 4.9059 5.0147 PRESSURE: 348600 88.538 133.829 -32.566 133.83 44.7988 -89.7282 -32.5653 -89.7294 -32.2256 GPRESSURE: 348600 56.968 63.4081 -50.9947 69.4721 56.2591 -152.496 -75.4428 -83.2736 74.2761 PRESSAVG: 348600 -14.7583 10.3728 31.8129 10.3728 -45.1463 44.3014 31.813 44.3015 -7.70764 GPRESSAVG: 348600 -14.2461 9.24097 31.743 11.9298 -45.4945 45.6368 32.7434 43.7151 -7.75106 TIMING: 348600 CPU: 1100.91, 0.00315168/step Wall: 1100.91, 0.00315168/step, 4.07215 hours remaining, 231.609375 MB of memory in use. ENERGY: 348600 3979.6687 20500.6281 14469.8339 240.5474 -203751.0258 2915.0792 0.0000 0.0000 51752.5537 -109892.7148 297.4226 -161645.2684 -109539.2114 297.8427 33.7037 62.5011 760743.7287 -22.5374 -22.4972 PRESSURE: 348800 3.87426 102.52 -114.951 102.52 90.4173 -57.1021 -114.951 -57.1023 243.362 GPRESSURE: 348800 125.666 183.492 20.4359 50.6141 85.4021 -45.9528 -209.581 -76.3371 200.076 PRESSAVG: 348800 56.5442 -45.2952 -29.9322 -45.2953 2.45993 13.8261 -29.9322 13.826 15.8787 GPRESSAVG: 348800 55.567 -45.4293 -29.1642 -46.5829 1.67493 13.3338 -30.2904 12.4557 17.1104 TIMING: 348800 CPU: 1101.54, 0.00314566/step Wall: 1101.54, 0.00314566/step, 4.0642 hours remaining, 231.609375 MB of memory in use. ENERGY: 348800 3986.6382 20563.5493 14473.6237 222.9870 -203810.3066 2777.3023 0.0000 0.0000 51909.2344 -109876.9717 298.3231 -161786.2061 -109521.6432 298.2510 112.5513 137.0480 760912.7434 24.9610 24.7841 PRESSURE: 349000 -27.914 61.9296 32.3733 61.929 -95.7847 -95.0582 32.3737 -95.0582 63.3165 GPRESSURE: 349000 -2.77667 9.95977 67.782 -39.4682 -71.3239 -78.48 10.5658 -49.3322 113.253 PRESSAVG: 349000 -7.03032 -23.2351 -16.0748 -23.2352 40.4995 -11.2749 -16.0748 -11.2749 5.60722 GPRESSAVG: 349000 -6.04222 -23.4392 -17.5361 -23.8251 41.917 -11.5371 -15.6104 -8.30167 4.3089 TIMING: 349000 CPU: 1102.17, 0.0031457/step Wall: 1102.17, 0.00314569/step, 4.06406 hours remaining, 231.609375 MB of memory in use. ENERGY: 349000 3952.8395 20580.7571 14493.5938 245.1273 -203609.6290 2749.7933 0.0000 0.0000 52052.4210 -109535.0970 299.1460 -161587.5180 -109155.8924 298.8040 -20.1274 13.0507 761542.0027 13.0255 13.3945 PRESSURE: 349200 -28.6965 -125.328 -112.281 -125.327 35.3433 112.186 -112.28 112.185 40.5941 GPRESSURE: 349200 -56.3744 49.9124 -71.7978 -191.786 81.1481 18.2598 -36.2402 -7.34096 86.7628 PRESSAVG: 349200 -32.1252 14.7759 -3.37596 14.7758 68.4914 24.3521 -3.37599 24.3522 -3.12407 GPRESSAVG: 349200 -32.6025 12.758 -2.1198 15.9474 68.6149 24.1146 -3.18825 23.3033 -3.1687 TIMING: 349200 CPU: 1102.79, 0.00312749/step Wall: 1102.79, 0.00312749/step, 4.04038 hours remaining, 231.609375 MB of memory in use. ENERGY: 349200 4035.8646 20430.1845 14455.9708 258.1625 -203604.2803 2720.0933 0.0000 0.0000 52110.7742 -109593.2305 299.4813 -161704.0047 -109227.9972 299.1319 15.7470 37.1788 762601.1177 11.0807 10.9479 PRESSURE: 349400 81.2599 -288.724 -81.0152 -288.725 259.071 -98.4356 -81.0155 -98.4362 12.158 GPRESSURE: 349400 165.432 -272.708 -149.109 -176.397 322.641 -91.9026 -147.12 -41.0636 -48.1213 PRESSAVG: 349400 -24.8128 -48.5329 58.283 -48.5329 34.377 -3.69229 58.283 -3.69239 -3.55832 GPRESSAVG: 349400 -24.3021 -45.397 57.7315 -47.2074 33.9612 -5.46803 58.0548 -1.71999 -3.65282 TIMING: 349400 CPU: 1103.42, 0.00315022/step Wall: 1103.42, 0.00315022/step, 4.06956 hours remaining, 231.609375 MB of memory in use. ENERGY: 349400 3971.4084 20475.7902 14464.0320 235.8703 -203551.5420 2700.0131 0.0000 0.0000 52099.1107 -109605.3173 299.4143 -161704.4280 -109237.2141 299.1641 117.4965 146.6507 760573.9601 2.0019 2.0021 PRESSURE: 349600 -287.92 -45.5759 6.75773 -45.5756 -85.4459 -234.452 6.75793 -234.453 107.593 GPRESSURE: 349600 -250 20.1795 1.67352 -81.1986 -10.3169 -169.637 108.779 -163.188 76.6299 PRESSAVG: 349600 -30.4663 -66.3029 -25.806 -66.3029 0.409061 -39.8878 -25.806 -39.8878 15.6154 GPRESSAVG: 349600 -32.2287 -67.9623 -24.7688 -66.6246 0.716298 -36.9014 -26.5217 -41.9026 17.0729 TIMING: 349600 CPU: 1104.05, 0.00315333/step Wall: 1104.05, 0.00315333/step, 4.07341 hours remaining, 231.609375 MB of memory in use. ENERGY: 349600 3916.1272 20399.5031 14393.5339 253.3414 -202937.0523 2155.8106 0.0000 0.0000 52089.4278 -109729.3085 299.3587 -161818.7363 -109350.9415 298.6181 -88.5912 -61.2290 763497.4022 -4.8140 -4.8132 PRESSURE: 349800 39.5331 -160.808 -58.3174 -160.808 400.549 35.2676 -58.3175 35.2675 -5.1609 GPRESSURE: 349800 116.666 -158.358 -133.435 -75.989 414.414 115.689 123.106 46.5237 -20.9389 PRESSAVG: 349800 -0.142236 -44.5143 21.1659 -44.5143 -10.496 18.6323 21.1659 18.6322 -24.4824 GPRESSAVG: 349800 2.17212 -43.4228 19.5183 -44.6188 -11.2657 18.1414 23.3181 18.6507 -25.8008 TIMING: 349800 CPU: 1104.69, 0.00316353/step Wall: 1104.69, 0.00316353/step, 4.08641 hours remaining, 231.609375 MB of memory in use. ENERGY: 349800 3933.9566 20502.4772 14465.2460 244.9543 -203563.1610 2898.9563 0.0000 0.0000 51915.6342 -109601.9364 298.3599 -161517.5706 -109229.6198 298.9297 144.9736 170.0472 761522.2029 -11.7069 -11.6315 PRESSURE: 350000 -66.4283 99.4476 217.231 99.4474 -157.396 -155.217 217.231 -155.217 45.1041 GPRESSURE: 350000 -84.2087 30.5292 189.408 84.9686 -71.3907 -179.266 214.991 -227.56 56.7802 PRESSAVG: 350000 20.9803 16.0616 22.4195 16.0617 42.0339 -16.6175 22.4195 -16.6175 1.46606 GPRESSAVG: 350000 18.8582 13.8413 23.711 15.5559 43.7667 -18.0704 20.2225 -16.1136 1.68777 TIMING: 350000 CPU: 1105.32, 0.0031703/step Wall: 1105.32, 0.0031703/step, 4.09497 hours remaining, 231.609375 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: 350000 3960.4667 20549.5379 14468.2228 247.9015 -203059.3888 2421.6834 0.0000 0.0000 51951.5681 -109460.0085 298.5664 -161411.5766 -109107.5500 298.5093 -59.5735 -32.9397 759416.7741 21.4934 21.4376 PRESSURE: 350200 -26.8583 -66.5169 17.8928 -66.5175 218.197 83.2702 17.8935 83.2704 -305.122 GPRESSURE: 350200 -33.123 -76.4571 113.206 -63.3486 224.377 87.4768 -6.32757 -16.8587 -227.624 PRESSAVG: 350200 -86.9066 22.8975 4.46307 22.8976 71.5807 -20.0288 4.46311 -20.0286 21.5988 GPRESSAVG: 350200 -86.2279 24.0022 3.26789 22.1024 69.4982 -19.154 4.68927 -22.0675 22.8967 TIMING: 350200 CPU: 1105.96, 0.00317814/step Wall: 1105.96, 0.00317814/step, 4.10492 hours remaining, 231.609375 MB of memory in use. ENERGY: 350200 3934.4471 20381.7187 14450.0066 245.2909 -202747.3394 2150.5437 0.0000 0.0000 51911.6612 -109673.6713 298.3370 -161585.3325 -109314.7716 298.6165 -37.9277 -12.1232 761125.7905 2.0910 2.0557 PRESSURE: 350400 72.0413 125.84 144.774 125.84 -182.738 114.11 144.774 114.111 -89.2668 GPRESSURE: 350400 122.185 64.2294 191.79 161.602 -200.476 87.8878 23.4583 110.373 -24.7686 PRESSAVG: 350400 -78.4384 18.5679 31.557 18.568 31.9221 -35.0645 31.557 -35.0644 -13.1663 GPRESSAVG: 350400 -78.908 18.3023 34.4131 18.8682 33.1895 -34.8892 29.9895 -32.3159 -14.2361 TIMING: 350400 CPU: 1106.59, 0.00317447/step Wall: 1106.59, 0.00317447/step, 4.1 hours remaining, 231.609375 MB of memory in use. ENERGY: 350400 3890.3131 20654.9370 14467.8833 242.8931 -203050.1339 2460.9097 0.0000 0.0000 51807.5243 -109525.6735 297.7386 -161333.1978 -109163.5991 298.4473 -66.6546 -34.3532 760501.5000 -19.8942 -19.9849 PRESSURE: 350600 -510.401 -79.5825 358.627 -79.5825 241.719 -7.15866 358.627 -7.15791 -22.3297 GPRESSURE: 350600 -470.456 -21.411 313.064 -29.5916 283.737 -40.5613 351.333 -142.647 -30.0386 PRESSAVG: 350600 -127.402 15.7778 6.66416 15.7779 97.4399 -3.31724 6.66423 -3.31726 -15.3412 GPRESSAVG: 350600 -127.032 17.4011 3.55099 14.5942 96.2734 -3.05497 8.39015 -5.07614 -15.0056 TIMING: 350600 CPU: 1107.23, 0.00317821/step Wall: 1107.23, 0.00317821/step, 4.10466 hours remaining, 231.609375 MB of memory in use. ENERGY: 350600 4007.8810 20362.4634 14468.1923 238.5088 -203182.3080 2575.4858 0.0000 0.0000 51959.0172 -109570.7594 298.6092 -161529.7766 -109205.8423 298.5846 -97.0041 -72.2525 762149.0469 -15.1012 -15.2547 PRESSURE: 350800 93.6055 -162.286 -183.993 -162.286 33.7652 78.5113 -183.993 78.5109 126.952 GPRESSURE: 350800 138.304 -267.591 -166.933 -81.5617 97.8503 -6.27063 -174.78 185.697 98.928 PRESSAVG: 350800 -38.2196 13.2949 22.9281 13.2948 97.6938 14.249 22.9281 14.2489 1.36451 GPRESSAVG: 350800 -38.327 11.7696 22.9271 14.6878 99.2227 13.508 22.4819 14.3199 0.338565 TIMING: 350800 CPU: 1107.86, 0.00318482/step Wall: 1107.86, 0.00318482/step, 4.11302 hours remaining, 231.609375 MB of memory in use. ENERGY: 350800 4003.2354 20468.3253 14467.3477 237.4318 -203425.6229 2720.8333 0.0000 0.0000 51907.9091 -109620.5403 298.3155 -161528.4494 -109255.0959 298.5470 84.7743 111.6940 761499.3616 20.2796 20.4114 PRESSURE: 351000 -31.9016 90.8694 132.928 90.87 240.871 154.014 132.927 154.015 -209.408 GPRESSURE: 351000 12.7113 -40.2428 108.758 80.8447 298.369 265.33 30.1867 289.212 -237.465 PRESSAVG: 351000 -67.8385 21.7753 15.4652 21.7753 67.5822 36.0532 15.4652 36.0533 -21.8684 GPRESSAVG: 351000 -66.9068 21.0926 15.3737 21.8108 67.0234 37.3665 15.9195 37.305 -22.089 TIMING: 351000 CPU: 1108.5, 0.00319448/step Wall: 1108.5, 0.00319448/step, 4.12532 hours remaining, 231.609375 MB of memory in use. ENERGY: 351000 4013.8172 20590.0324 14400.0700 239.7209 -203358.9581 2661.6309 0.0000 0.0000 51769.2155 -109684.4712 297.5184 -161453.6867 -109322.1663 298.3627 -0.1461 24.5386 761596.5499 -7.3749 -7.3241 PRESSURE: 351200 201.271 -189.552 -110.221 -189.552 -52.6055 -130.979 -110.222 -130.979 -172.277 GPRESSURE: 351200 77.0146 -149.765 -78.561 -156.646 27.7028 -202.596 22.5505 -192.814 -44.7088 PRESSAVG: 351200 -14.2636 -17.7682 -18.5498 -17.7682 79.9393 83.5658 -18.5498 83.5659 -8.46932 GPRESSAVG: 351200 -15.1484 -16.3355 -19.1215 -18.4151 78.9519 84.2147 -17.8597 84.1525 -6.26509 TIMING: 351200 CPU: 1109.14, 0.00318291/step Wall: 1109.14, 0.00318291/step, 4.1102 hours remaining, 231.609375 MB of memory in use. ENERGY: 351200 3901.0442 20421.9453 14355.3110 251.7756 -203302.8708 2451.3938 0.0000 0.0000 52027.0571 -109894.3438 299.0002 -161921.4009 -109514.4447 298.4200 -7.8704 20.0029 761972.0302 19.0688 19.1795 PRESSURE: 351400 -462.96 -35.7324 -37.7771 -35.7328 -14.9032 -127.547 -37.7772 -127.546 -47.1216 GPRESSURE: 351400 -269.3 14.424 -25.2897 -100.214 -78.2029 -81.1295 -80.4561 -80.4439 -72.3215 PRESSAVG: 351400 -30.016 -22.5526 -44.1173 -22.5527 17.2542 18.1074 -44.1173 18.1074 -16.4295 GPRESSAVG: 351400 -29.4992 -22.042 -43.2874 -23.2821 17.8648 15.8235 -42.9381 17.3143 -17.4264 TIMING: 351400 CPU: 1109.78, 0.00319154/step Wall: 1109.78, 0.00319154/step, 4.12116 hours remaining, 231.609375 MB of memory in use. ENERGY: 351400 4029.0364 20572.8210 14413.5958 230.6385 -203497.6885 2635.3556 0.0000 0.0000 51611.3882 -110004.8531 296.6114 -161616.2412 -109647.8132 297.8425 -174.9948 -139.9414 762664.2877 -9.7304 -9.6869 PRESSURE: 351600 -23.02 78.8708 -8.52744 78.8701 40.5378 30.2767 -8.52697 30.2762 -56.0403 GPRESSURE: 351600 56.829 -32.6718 -67.3766 104.552 119.844 110.744 3.76106 44.8692 -152.536 PRESSAVG: 351600 3.49223 -36.1848 27.5276 -36.1848 -2.2181 25.8571 27.5276 25.8571 -16.0152 GPRESSAVG: 351600 4.96414 -37.0178 28.3551 -32.0562 -3.1062 25.0182 24.8496 26.2194 -16.305 TIMING: 351600 CPU: 1110.41, 0.00317541/step Wall: 1110.41, 0.00317541/step, 4.10016 hours remaining, 231.609375 MB of memory in use. ENERGY: 351600 3993.5422 20568.7503 14447.9464 258.1251 -202953.7633 2228.7281 0.0000 0.0000 51632.7736 -109823.8975 296.7343 -161456.6712 -109475.0681 297.3982 -12.8408 8.0459 762360.5668 -4.9137 -4.8157 PRESSURE: 351800 -351.32 49.9732 76.7393 49.9739 -162.644 10.5726 76.7404 10.5736 -94.1642 GPRESSURE: 351800 -311.092 -1.76866 131.445 -30.0063 -89.4905 139.409 59.2549 -30.6138 -127.273 PRESSAVG: 351800 16.9017 7.92488 34.6892 7.92491 -21.6579 38.888 34.6892 38.888 -13.5226 GPRESSAVG: 351800 14.5308 7.26275 34.9005 5.03196 -19.1172 39.8504 34.6345 39.4933 -13.5717 TIMING: 351800 CPU: 1111.05, 0.00316641/step Wall: 1111.05, 0.00316641/step, 4.08836 hours remaining, 231.609375 MB of memory in use. ENERGY: 351800 3938.1996 20622.6927 14423.6932 241.1086 -203210.6795 2418.7161 0.0000 0.0000 51732.4599 -109833.8094 297.3072 -161566.2693 -109474.9450 297.4343 -202.7094 -175.9518 762425.0574 -6.0930 -6.0527 PRESSURE: 352000 -312.101 -56.9432 46.4449 -56.9429 -140.15 -116.058 46.4455 -116.057 -115.137 GPRESSURE: 352000 -359.896 -10.633 117.145 3.86416 -47.7386 -45.4427 -113.547 -202.426 -80.5246 PRESSAVG: 352000 -23.983 82.9337 41.9179 82.9338 53.7503 -9.26242 41.9179 -9.26241 -19.1009 GPRESSAVG: 352000 -24.0974 82.9365 42.01 81.8607 52.3542 -8.90805 40.3369 -10.7175 -18.0146 TIMING: 352000 CPU: 1111.67, 0.00314248/step Wall: 1111.67, 0.00314248/step, 4.05729 hours remaining, 231.609375 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: 352000 4024.4458 20522.5672 14530.2318 243.5548 -203845.5243 2725.0596 0.0000 0.0000 52043.1207 -109756.5444 299.0925 -161799.6651 -109388.0430 298.6551 -189.1295 -162.7198 760657.3826 3.5554 3.4141 PRESSURE: 352200 -218.19 109.155 -174.172 109.154 -22.7692 4.63785 -174.173 4.63794 -83.4352 GPRESSURE: 352200 -111.767 -61.824 -131.608 114.777 -47.1614 21.1747 -151.072 -11.9739 -74.7971 PRESSAVG: 352200 5.60573 -9.81988 34.1624 -9.8199 19.1692 2.90939 34.1623 2.90944 7.07028 GPRESSAVG: 352200 4.77015 -10.8941 33.3616 -9.44714 19.2646 2.63922 34.6438 4.88508 7.4167 TIMING: 352200 CPU: 1112.3, 0.00315039/step Wall: 1112.3, 0.00315039/step, 4.06733 hours remaining, 231.609375 MB of memory in use. ENERGY: 352200 3992.4017 20484.4301 14490.4335 246.8033 -203791.2128 2676.3068 0.0000 0.0000 52014.2122 -109886.6251 298.9264 -161900.8373 -109519.4119 298.7992 -108.1313 -77.9084 761151.5961 10.6151 10.4838 LDB: ============= START OF LOAD BALANCING ============== 1124.84 LDB: ============== END OF LOAD BALANCING =============== 1124.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1124.84 LDB: ============= START OF LOAD BALANCING ============== 1125.16 LDB: Largest compute 7060 load 0.030219 is 15.5% of average load 0.195065 LDB: Average compute 0.004393 is 2.3% of average load 0.195065 LDB: TIME 1125.16 LOAD: AVG 0.195065 MAX 0.216658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.121 MB LDB: TIME 1125.16 LOAD: AVG 0.195065 MAX 0.216658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.121 MB LDB: TIME 1125.16 LOAD: AVG 0.195065 MAX 0.216658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.121 MB LDB: ============== END OF LOAD BALANCING =============== 1125.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1125.17 PRESSURE: 352400 -121.292 55.9936 388.112 55.9933 116.193 151.074 388.111 151.075 -182.025 GPRESSURE: 352400 -26.114 184.838 366.948 -11.0045 164.873 149.086 346.557 26.3932 -224.388 PRESSAVG: 352400 -29.026 35.0663 36.8422 35.0663 59.3259 16.8728 36.8421 16.8729 6.16014 GPRESSAVG: 352400 -28.1424 37.4954 37.2992 35.0173 57.6602 15.9201 38.5223 15.6003 6.76784 TIMING: 352400 CPU: 1112.95, 0.00322587/step Wall: 1112.95, 0.00322587/step, 4.1646 hours remaining, 234.687500 MB of memory in use. ENERGY: 352400 4036.8261 20574.3742 14526.2928 249.3499 -203945.6679 2807.1909 0.0000 0.0000 51846.0761 -109905.5579 297.9601 -161751.6340 -109538.7280 298.0095 -62.3748 -28.5431 760800.6364 12.1533 12.0952 PRESSURE: 352600 -8.89599 -95.1516 -98.394 -95.1513 133.071 53.1705 -98.3933 53.1709 -176.834 GPRESSURE: 352600 14.7753 -186.908 -85.5004 -67.5732 144.468 62.9083 -93.5575 -5.84545 -115.799 PRESSAVG: 352600 -44.7179 27.0204 33.5412 27.0204 80.5146 5.48665 33.5413 5.48672 -26.1322 GPRESSAVG: 352600 -44.3525 26.784 32.6364 26.6112 80.5826 6.04268 31.1288 3.96707 -26.8645 TIMING: 352600 CPU: 1113.58, 0.0031704/step Wall: 1113.58, 0.0031704/step, 4.09282 hours remaining, 234.890625 MB of memory in use. ENERGY: 352600 3950.4662 20408.4751 14476.7317 246.5866 -203608.9143 2953.0886 0.0000 0.0000 51905.8053 -109667.7607 298.3034 -161573.5661 -109300.2175 298.1680 -17.5528 14.4815 762636.2451 3.2215 3.1219 PRESSURE: 352800 89.18 86.5204 -70.9717 86.5204 64.4093 -83.5909 -70.9713 -83.5898 -238.781 GPRESSURE: 352800 43.5231 -85.078 -49.0901 63.3679 147.447 -158.357 26.4472 -3.21346 -214.474 PRESSAVG: 352800 -23.5738 55.0067 72.449 55.0066 26.0149 49.152 72.449 49.152 -0.925495 GPRESSAVG: 352800 -24.6701 54.1068 72.6785 56.5977 26.5949 48.9382 74.9351 54.0836 -0.342564 TIMING: 352800 CPU: 1114.21, 0.0031468/step Wall: 1114.21, 0.0031468/step, 4.06217 hours remaining, 234.890625 MB of memory in use. ENERGY: 352800 3963.3707 20476.9389 14510.4853 254.3349 -203722.6122 3000.8854 0.0000 0.0000 52063.0500 -109453.5471 299.2071 -161516.5971 -109099.1375 298.8416 -28.3973 -7.8345 762304.4652 0.5052 0.5274 PRESSURE: 353000 -190.588 -144.66 129.246 -144.66 426.582 -164.318 129.246 -164.318 174.142 GPRESSURE: 353000 -201.696 -100.344 -19.5773 -142.146 389.831 -158.932 82.8164 -207.979 285.233 PRESSAVG: 353000 25.3526 20.3884 4.8623 20.3884 9.85145 -7.85894 4.86221 -7.85894 2.23978 GPRESSAVG: 353000 25.7212 19.4151 3.70013 20.2565 9.90594 -5.61799 5.00358 -11.11 1.34142 TIMING: 353000 CPU: 1114.85, 0.00317048/step Wall: 1114.85, 0.00317048/step, 4.09256 hours remaining, 234.890625 MB of memory in use. ENERGY: 353000 3978.7085 20716.5466 14549.9125 249.3105 -203340.1779 2690.2389 0.0000 0.0000 51829.9539 -109325.5070 297.8675 -161155.4609 -108980.1696 299.4629 136.7118 157.7893 760550.8484 12.4813 12.3228 PRESSURE: 353200 36.5894 -108.33 -23.3306 -108.33 1.01839 93.4941 -23.33 93.4941 -28.6714 GPRESSURE: 353200 38.0734 -220.131 -1.51078 -151.242 -34.5146 176.129 -18.121 101.593 92.3305 PRESSAVG: 353200 -19.8282 -21.7831 -10.6756 -21.7831 -3.92818 -26.0673 -10.6755 -26.0673 2.87691 GPRESSAVG: 353200 -19.8744 -22.24 -9.64075 -19.0856 -4.00627 -25.3768 -12.7852 -26.7659 3.279 TIMING: 353200 CPU: 1115.48, 0.00316006/step Wall: 1115.48, 0.00316006/step, 4.07893 hours remaining, 234.890625 MB of memory in use. ENERGY: 353200 4000.9847 20437.3519 14557.1821 245.4266 -203687.0036 2845.9941 0.0000 0.0000 52335.5866 -109264.4776 300.7733 -161600.0641 -108897.5186 299.3817 2.9788 31.9631 762108.3279 -6.9598 -6.8672 PRESSURE: 353400 -140.796 -256.941 136.814 -256.941 -372.213 97.2589 136.814 97.2587 -114.657 GPRESSURE: 353400 -119.173 -281.256 246.184 -122.395 -394.707 134.165 -14.7616 -19.1563 -29.9331 PRESSAVG: 353400 -30.7503 -11.8658 0.16697 -11.8658 47.9137 0.244316 0.167012 0.244307 -11.556 GPRESSAVG: 353400 -29.0934 -10.7995 1.63412 -13.7267 47.0679 -0.359047 -0.591504 1.06297 -12.8263 TIMING: 353400 CPU: 1116.11, 0.00317524/step Wall: 1116.11, 0.00317524/step, 4.09835 hours remaining, 235.093750 MB of memory in use. ENERGY: 353400 4018.1239 20542.2770 14535.5878 235.8412 -203447.2839 2603.1785 0.0000 0.0000 52066.3207 -109445.9547 299.2259 -161512.2755 -109094.0484 299.2103 -209.2223 -181.2710 762443.6221 1.8692 1.7161 PRESSURE: 353600 -81.3643 -92.9305 -63.235 -92.9307 -242.331 70.8007 -63.2354 70.7995 49.4056 GPRESSURE: 353600 -34.2366 13.5117 -33.5016 -78.5079 -237.616 46.9393 -29.4091 -23.427 77.988 PRESSAVG: 353600 -54.6317 20.5997 12.8901 20.5996 40.9436 1.76617 12.8901 1.76614 -14.1987 GPRESSAVG: 353600 -57.0465 24.5237 10.8229 18.7242 43.2745 0.758514 12.511 -0.00617941 -14.0812 TIMING: 353600 CPU: 1116.75, 0.00316462/step Wall: 1116.75, 0.00316462/step, 4.08447 hours remaining, 235.093750 MB of memory in use. ENERGY: 353600 3968.3899 20457.2014 14582.9659 251.5286 -203128.5702 2462.6381 0.0000 0.0000 51987.6796 -109418.1666 298.7739 -161405.8462 -109048.0481 299.3417 -91.4300 -64.6214 761065.2997 -9.2956 -9.2844 PRESSURE: 353800 -120.739 18.0948 -98.5279 18.0952 139.05 -11.3678 -98.5282 -11.3672 365.903 GPRESSURE: 353800 -66.2542 -113.915 -55.6408 129.385 195.588 -21.3835 -88.3606 150.166 344.661 PRESSAVG: 353800 21.814 -18.6806 -0.908166 -18.6805 -20.4568 29.3836 -0.908151 29.3836 3.42978 GPRESSAVG: 353800 21.9184 -21.8845 -1.02972 -17.6503 -21.034 30.4132 2.00991 30.1547 4.18091 TIMING: 353800 CPU: 1117.38, 0.0031595/step Wall: 1117.38, 0.0031595/step, 4.07768 hours remaining, 235.093750 MB of memory in use. ENERGY: 353800 4094.6705 20419.5005 14475.1675 251.3631 -203218.0097 2668.8066 0.0000 0.0000 51822.1854 -109486.3160 297.8228 -161308.5014 -109133.2649 299.5773 128.0714 157.9984 762680.8139 1.5957 1.6884 PRESSURE: 354000 -15.0945 75.6557 172.746 75.656 155.993 9.91319 172.746 9.91289 -126.36 GPRESSURE: 354000 79.624 -58.0511 215.705 20.0328 154.871 -31.3953 132.828 89.5488 -145.516 PRESSAVG: 354000 54.5087 33.0139 22.2207 33.0139 -75.9188 23.5211 22.2207 23.521 0.174736 GPRESSAVG: 354000 54.7914 32.2444 25.0768 33.4404 -76.7968 22.4049 20.5089 23.3944 0.694725 TIMING: 354000 CPU: 1118.01, 0.00314046/step Wall: 1118.01, 0.00314046/step, 4.05293 hours remaining, 235.093750 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: 354000 3967.9496 20405.6018 14453.5787 263.1227 -203335.5506 2586.8324 0.0000 0.0000 52053.4250 -109605.0404 299.1517 -161658.4653 -109235.9742 299.2175 4.8462 29.6595 763003.0658 -7.0784 -7.1036 PRESSURE: 354200 121.479 -39.4435 27.3996 -39.4428 -101.925 6.8042 27.3992 6.80432 -33.8311 GPRESSURE: 354200 163.945 -66.6583 80.7359 -15.6267 -47.4965 17.927 29.9244 -191.878 -31.6273 PRESSAVG: 354200 -4.2689 -67.9511 12.2806 -67.951 18.5274 -9.84239 12.2806 -9.84241 1.3855 GPRESSAVG: 354200 -3.80757 -66.8252 11.445 -69.0338 19.3609 -10.2026 9.95968 -7.91531 0.689286 TIMING: 354200 CPU: 1118.64, 0.0031815/step Wall: 1118.64, 0.0031815/step, 4.10573 hours remaining, 235.093750 MB of memory in use. ENERGY: 354200 3924.6738 20365.5795 14440.8490 250.9532 -203198.8637 2665.8675 0.0000 0.0000 52005.4661 -109545.4747 298.8761 -161550.9408 -109173.6901 298.7568 -4.7592 28.2737 763883.1858 5.2147 5.4142 PRESSURE: 354400 -328.254 143.936 -125.925 143.936 226.102 63.9707 -125.925 63.9697 259.756 GPRESSURE: 354400 -211.959 117.216 -148.149 80.2228 179.34 93.8919 -20.7128 18.0565 290.718 PRESSAVG: 354400 -28.7814 -56.9619 -23.2257 -56.9619 15.083 -5.37281 -23.2257 -5.37276 -6.56003 GPRESSAVG: 354400 -28.38 -57.7586 -24.2484 -54.6555 14.4594 -5.73991 -21.2044 -6.99359 -6.48185 TIMING: 354400 CPU: 1119.28, 0.00318413/step Wall: 1119.28, 0.00318412/step, 4.10894 hours remaining, 235.093750 MB of memory in use. ENERGY: 354400 3931.2249 20288.2579 14483.4675 245.0087 -203787.4042 2968.7472 0.0000 0.0000 52206.0654 -109664.6327 300.0290 -161870.6981 -109299.0985 298.6567 52.5345 86.0332 763337.8764 -6.7528 -6.8008 PRESSURE: 354600 49.3347 -79.9174 229.613 -79.9184 155.899 124.237 229.613 124.237 64.615 GPRESSURE: 354600 48.7349 -40.5127 265.802 -90.3107 180.466 30.7781 199.69 25.0319 116.623 PRESSAVG: 354600 -30.0959 -53.7734 60.1656 -53.7735 -13.3822 10.8523 60.1656 10.8523 14.89 GPRESSAVG: 354600 -30.6163 -53.7128 60.7416 -56.1449 -13.2418 11.9404 60.7986 10.5729 14.8831 TIMING: 354600 CPU: 1119.91, 0.00316839/step Wall: 1119.91, 0.00316839/step, 4.08845 hours remaining, 235.093750 MB of memory in use. ENERGY: 354600 4063.8193 20597.9826 14515.6145 244.7858 -203685.6523 2994.1585 0.0000 0.0000 51751.5123 -109517.7793 297.4167 -161269.2915 -109164.2188 298.7770 89.9496 115.2743 762083.2962 -9.5294 -9.6584 PRESSURE: 354800 103.717 -79.7291 229.789 -79.7296 150.284 -162.953 229.788 -162.953 109.868 GPRESSURE: 354800 27.178 -3.90335 208.853 -33.8293 182.206 -172.108 265.058 -92.6155 248.875 PRESSAVG: 354800 -45.3203 -33.553 50.6681 -33.553 47.2477 -9.62275 50.6681 -9.62271 -5.55578 GPRESSAVG: 354800 -46.1406 -34.2429 50.2581 -32.751 46.8661 -11.0893 51.3488 -8.49828 -4.37639 TIMING: 354800 CPU: 1120.54, 0.00315104/step Wall: 1120.54, 0.00315104/step, 4.06589 hours remaining, 235.093750 MB of memory in use. ENERGY: 354800 3979.5243 20489.0194 14442.7168 256.0246 -203625.5222 2981.6492 0.0000 0.0000 52028.3015 -109448.2864 299.0074 -161476.5879 -109080.9972 299.2092 121.2896 152.7528 763403.3612 -1.2095 -1.2170 PRESSURE: 355000 107.938 -65.8721 110.125 -65.8717 98.096 191.553 110.125 191.553 -174.504 GPRESSURE: 355000 292.621 -101.823 162.944 -114.087 99.6877 110.094 92.5515 151.214 -275.059 PRESSAVG: 355000 -42.0462 -38.62 20.3932 -38.62 47.4115 -37.687 20.3933 -37.687 22.2002 GPRESSAVG: 355000 -41.4165 -39.5952 20.3423 -37.7811 47.8002 -34.6839 20.3254 -38.6828 20.678 TIMING: 355000 CPU: 1121.18, 0.00316021/step Wall: 1121.18, 0.00316021/step, 4.07755 hours remaining, 235.093750 MB of memory in use. ENERGY: 355000 4042.3407 20416.1103 14437.1118 254.1570 -203592.6824 2828.9998 0.0000 0.0000 52098.4522 -109515.5107 299.4105 -161613.9629 -109158.4702 298.8473 10.5100 39.0831 762102.5909 9.1885 9.0206 PRESSURE: 355200 -6.90121 -178.65 -22.128 -178.65 10.3161 -136.302 -22.1274 -136.303 59.3808 GPRESSURE: 355200 71.5593 -186.999 25.1064 -225.724 35.9662 -165.35 -120.622 -79.5146 41.4189 PRESSAVG: 355200 -38.8893 -49.4173 -3.90044 -49.4174 34.3817 -44.2139 -3.90042 -44.2138 -13.5162 GPRESSAVG: 355200 -38.833 -47.4184 -4.14292 -49.3724 34.2664 -46.4066 -3.1216 -43.0005 -13.1434 TIMING: 355200 CPU: 1121.81, 0.00315149/step Wall: 1121.81, 0.00315149/step, 4.06612 hours remaining, 235.093750 MB of memory in use. ENERGY: 355200 4031.2196 20497.0769 14490.6577 246.5731 -203507.6637 2700.2639 0.0000 0.0000 51930.3694 -109611.5031 298.4445 -161541.8725 -109251.3782 299.0802 20.9319 49.6481 762763.8178 -6.0079 -5.9033 PRESSURE: 355400 162.304 -87.6421 55.5535 -87.6419 165.852 -87.8131 55.5537 -87.8129 136.346 GPRESSURE: 355400 174.721 -47.3873 102.112 -78.6699 149.187 29.9019 -48.2441 -134.302 223.65 PRESSAVG: 355400 -4.18768 -23.3784 -15.4987 -23.3784 18.3128 -23.3495 -15.4987 -23.3495 13.1694 GPRESSAVG: 355400 -3.29367 -24.0201 -15.8126 -24.581 18.0412 -23.1815 -18.3673 -23.3407 12.7467 TIMING: 355400 CPU: 1122.44, 0.00317104/step Wall: 1122.44, 0.00317104/step, 4.09117 hours remaining, 235.093750 MB of memory in use. ENERGY: 355400 3964.8802 20369.7628 14564.1469 256.9008 -203762.2964 2692.4507 0.0000 0.0000 52102.9611 -109811.1939 299.4364 -161914.1550 -109443.4344 298.8362 154.8342 182.5192 759365.3621 9.0982 9.1647 PRESSURE: 355600 -212.254 24.2558 130.193 24.2563 -107.159 140.578 130.193 140.577 -318.155 GPRESSURE: 355600 -209.137 -21.4956 152.942 -61.3229 -130.762 122.415 96.1284 47.1837 -241.57 PRESSAVG: 355600 -29.097 -72.1012 12.3737 -72.1012 27.3882 68.6412 12.3736 68.6411 3.63982 GPRESSAVG: 355600 -29.7173 -71.5074 14.4963 -71.1172 27.3319 67.2703 13.0232 68.9941 3.73207 TIMING: 355600 CPU: 1123.07, 0.00316438/step Wall: 1123.07, 0.00316438/step, 4.0824 hours remaining, 235.093750 MB of memory in use. ENERGY: 355600 3998.3541 20409.7201 14493.3233 241.4554 -203453.3149 2590.4497 0.0000 0.0000 51947.8647 -109772.1476 298.5451 -161720.0123 -109417.6663 298.3056 -212.5225 -193.8233 761943.3343 0.6437 0.4489 PRESSURE: 355800 312.716 -122.794 -106.187 -122.794 -362.998 -18.4623 -106.187 -18.4612 64.7852 GPRESSURE: 355800 255.979 -151.984 -108.882 -138.75 -222.594 34.114 -70.989 9.64153 68.7943 PRESSAVG: 355800 7.5857 -25.0338 -15.3609 -25.0338 -7.1164 -2.54834 -15.3609 -2.54841 7.6588 GPRESSAVG: 355800 7.67904 -27.5683 -15.7716 -24.1859 -7.56291 -0.790554 -15.5654 -6.22579 8.595 TIMING: 355800 CPU: 1123.7, 0.00314341/step Wall: 1123.7, 0.00314341/step, 4.05517 hours remaining, 235.093750 MB of memory in use. ENERGY: 355800 3977.6038 20435.8130 14457.9793 250.9588 -203473.9811 2604.3176 0.0000 0.0000 51879.1436 -109868.1650 298.1502 -161747.3086 -109509.3753 298.5950 4.8346 34.0600 760111.5799 2.7094 2.9037 PRESSURE: 356000 100.425 -35.9139 230.265 -35.9141 -99.3804 140.956 230.264 140.956 139.658 GPRESSURE: 356000 171.123 49.8111 184.312 -51.4031 -50.5413 217.246 243.587 59.1733 115.721 PRESSAVG: 356000 -51.58 -19.3289 27.4901 -19.3289 12.7162 12.7585 27.4901 12.7584 -3.96639 GPRESSAVG: 356000 -51.3347 -18.0496 26.7629 -21.3003 14.1141 12.1629 25.9581 16.8746 -5.14965 TIMING: 356000 CPU: 1124.33, 0.003138/step Wall: 1124.33, 0.003138/step, 4.04802 hours remaining, 235.093750 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: 356000 3966.5223 20622.4819 14429.9290 245.2155 -203406.1443 2652.8787 0.0000 0.0000 51881.0582 -109608.0586 298.1612 -161489.1168 -109243.6046 298.4796 46.9010 78.7675 759371.4759 -14.2767 -14.1234 PRESSURE: 356200 178.552 -141.458 45.9818 -141.459 111.569 81.3866 45.9813 81.386 34.2474 GPRESSURE: 356200 180.668 -272.438 62.1495 -160.683 86.4583 -2.96356 108.959 132.288 148.388 PRESSAVG: 356200 6.87813 -34.2551 9.94849 -34.2552 44.1588 -15.7108 9.94853 -15.7107 14.0475 GPRESSAVG: 356200 7.6869 -33.6746 11.7537 -34.7068 43.1314 -13.8373 10.8587 -18.6195 14.2516 TIMING: 356200 CPU: 1124.96, 0.00314333/step Wall: 1124.96, 0.00314333/step, 4.05473 hours remaining, 235.093750 MB of memory in use. ENERGY: 356200 3929.3480 20624.7679 14469.7907 252.9843 -203627.1347 2621.7253 0.0000 0.0000 52090.6671 -109637.8515 299.3658 -161728.5186 -109274.8357 298.5193 108.1228 138.5048 759818.2360 21.6948 21.6900 LDB: ============= START OF LOAD BALANCING ============== 1137.49 LDB: ============== END OF LOAD BALANCING =============== 1137.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1137.49 LDB: ============= START OF LOAD BALANCING ============== 1137.81 LDB: Largest compute 7060 load 0.030866 is 15.8% of average load 0.195136 LDB: Average compute 0.004385 is 2.2% of average load 0.195136 LDB: TIME 1137.81 LOAD: AVG 0.195136 MAX 0.215091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.18 MB LDB: TIME 1137.81 LOAD: AVG 0.195136 MAX 0.215091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.184 MB LDB: TIME 1137.81 LOAD: AVG 0.195136 MAX 0.215091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.184 MB LDB: ============== END OF LOAD BALANCING =============== 1137.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1137.82 PRESSURE: 356400 -255.935 102.715 -156.468 102.715 -166.696 -5.68352 -156.468 -5.68335 356.955 GPRESSURE: 356400 -238.573 68.3517 -209.169 84.3737 -72.8799 54.142 -71.7027 -34.8181 322.171 PRESSAVG: 356400 -42.6419 -51.7979 -0.299605 -51.7979 22.0073 -6.4288 -0.299581 -6.42881 -10.7919 GPRESSAVG: 356400 -43.0845 -52.4666 -3.24963 -50.2743 22.776 -7.98075 2.2161 -4.04452 -11.1039 TIMING: 356400 CPU: 1125.6, 0.00321001/step Wall: 1125.6, 0.00321001/step, 4.14055 hours remaining, 232.625000 MB of memory in use. ENERGY: 356400 3970.0649 20641.6142 14404.9191 245.6827 -203396.5398 2416.2194 0.0000 0.0000 51955.7151 -109762.3243 298.5902 -161718.0394 -109412.8330 298.5815 -21.8918 3.5726 759960.2378 -10.4755 -10.4708 PRESSURE: 356600 -58.0172 11.6936 -210.273 11.6937 -213.544 15.2041 -210.273 15.2038 -321.579 GPRESSURE: 356600 -47.2793 44.6951 -150.84 -22.1114 -173.315 11.1593 -264.494 -128.796 -287.348 PRESSAVG: 356600 -33.1492 -42.0897 30.3128 -42.0897 21.6883 -1.09861 30.3127 -1.09862 26.0861 GPRESSAVG: 356600 -33.0471 -42.6881 32.4353 -42.3183 21.7101 -0.917625 28.1258 -4.03863 26.2722 TIMING: 356600 CPU: 1126.23, 0.00315167/step Wall: 1126.23, 0.00315167/step, 4.06513 hours remaining, 232.828125 MB of memory in use. ENERGY: 356600 4040.2442 20596.3329 14465.2881 249.3501 -203391.3397 2423.4505 0.0000 0.0000 51934.4424 -109682.2314 298.4680 -161616.6738 -109337.1566 299.0839 -197.7133 -169.3143 760518.7985 4.8750 4.9784 PRESSURE: 356800 146.34 295.226 98.2072 295.225 219.103 -196.042 98.2073 -196.042 -88.0361 GPRESSURE: 356800 152.367 346.54 55.5221 241.936 224.746 -181.703 103.586 -120.507 -9.08817 PRESSAVG: 356800 6.32825 -28.5167 27.4335 -28.5167 23.4657 -25.7986 27.4336 -25.7986 20.0202 GPRESSAVG: 356800 5.35834 -28.1107 25.8478 -28.4961 22.8794 -25.3651 29.3248 -23.1556 20.9964 TIMING: 356800 CPU: 1126.86, 0.00315511/step Wall: 1126.86, 0.00315511/step, 4.06939 hours remaining, 232.828125 MB of memory in use. ENERGY: 356800 3992.0913 20616.6242 14470.8710 231.0488 -203620.6038 2915.9229 0.0000 0.0000 51784.6257 -109609.4199 297.6070 -161394.0455 -109247.9181 299.0301 92.4690 122.6748 760609.0218 16.6047 16.4114 PRESSURE: 357000 -427.881 -42.6814 228.735 -42.6808 -0.0621508 -26.1172 228.735 -26.1175 182.832 GPRESSURE: 357000 -327.007 -93.3009 197.931 -42.9852 47.3953 -64.0265 97.3819 -106.517 130.827 PRESSAVG: 357000 -61.1838 -15.39 4.3656 -15.39 59.1886 34.5315 4.36557 34.5314 -16.9365 GPRESSAVG: 357000 -60.0733 -13.8535 3.94721 -15.5432 59.3064 33.7857 3.2674 31.2412 -17.7489 TIMING: 357000 CPU: 1127.49, 0.00316464/step Wall: 1127.49, 0.00316464/step, 4.0815 hours remaining, 232.828125 MB of memory in use. ENERGY: 357000 4017.2983 20386.5943 14534.0188 235.3221 -203204.9817 2207.8812 0.0000 0.0000 52125.3098 -109698.5572 299.5649 -161823.8670 -109326.6646 298.9344 -81.7035 -49.5951 760260.1762 -6.3106 -6.1719 PRESSURE: 357200 -448.194 -52.6875 -124.405 -52.6888 -6.1716 46.4284 -124.405 46.4302 -404.202 GPRESSURE: 357200 -391.032 -100.018 -170.063 -72.6459 -76.2716 53.8333 -11.5878 175.28 -318.017 PRESSAVG: 357200 -35.2107 -37.4605 14.4904 -37.4606 37.1234 -2.88633 14.4904 -2.88632 16.5569 GPRESSAVG: 357200 -34.8206 -38.7234 15.9111 -34.6555 36.4472 -2.51962 14.2553 -0.0964431 16.6731 TIMING: 357200 CPU: 1128.13, 0.00315787/step Wall: 1128.13, 0.00315787/step, 4.0726 hours remaining, 232.828125 MB of memory in use. ENERGY: 357200 3951.2145 20587.0097 14485.4300 234.1345 -202997.2934 2220.1833 0.0000 0.0000 51959.1374 -109560.1840 298.6099 -161519.3214 -109196.9728 299.0533 -286.1893 -261.7735 761892.3610 6.1565 6.0999 PRESSURE: 357400 205.763 -1.03432 118.366 -1.03449 303.91 -171.107 118.366 -171.108 -80.0146 GPRESSURE: 357400 337.8 -92.7777 124.493 -143.042 261.069 -141.658 76.0015 -156.093 -69.9375 PRESSAVG: 357400 -0.83454 16.1053 63.565 16.1054 5.12106 -3.41841 63.565 -3.41848 24.5515 GPRESSAVG: 357400 -1.24874 15.8087 63.698 12.9373 5.64877 -2.76628 64.7817 -3.42642 24.4641 TIMING: 357400 CPU: 1128.76, 0.00315652/step Wall: 1128.76, 0.00315652/step, 4.07069 hours remaining, 232.828125 MB of memory in use. ENERGY: 357400 4032.2974 20590.0177 14362.0868 253.8909 -203575.5213 2678.0307 0.0000 0.0000 52329.8068 -109329.3911 300.7401 -161659.1979 -108961.4097 299.4933 143.2195 176.3107 760280.7565 9.6127 9.6214 PRESSURE: 357600 -144.905 30.2776 98.9577 30.2773 -121.391 -25.996 98.9573 -25.9957 -405.391 GPRESSURE: 357600 -114.113 -78.6011 5.65412 50.9446 -70.1006 94.9578 90.3502 -152.17 -423.58 PRESSAVG: 357600 -27.9168 -39.6189 -6.85301 -39.6189 47.3607 32.1617 -6.85296 32.1617 -8.6393 GPRESSAVG: 357600 -27.7719 -40.5918 -8.0716 -40.4504 47.1538 32.0043 -9.67092 30.3417 -8.03975 TIMING: 357600 CPU: 1129.38, 0.00312748/step Wall: 1129.38, 0.00312748/step, 4.03306 hours remaining, 232.828125 MB of memory in use. ENERGY: 357600 3987.7121 20513.4136 14460.3409 243.6951 -203187.7931 2425.7958 0.0000 0.0000 52013.4086 -109543.4270 298.9218 -161556.8356 -109179.7017 299.2553 -223.8958 -202.5978 762155.7997 3.6015 3.7807 PRESSURE: 357800 97.2895 -61.9906 -70.0802 -61.99 60.5019 3.74662 -70.0808 3.74693 -11.7831 GPRESSURE: 357800 119.132 18.4223 -14.9801 -23.1311 172.815 39.5056 -160.639 129.193 -49.9081 PRESSAVG: 357800 -82.8291 -8.65836 -19.6181 -8.65837 42.4019 -1.7579 -19.618 -1.75789 9.41852 GPRESSAVG: 357800 -82.6741 -7.25621 -18.6092 -7.2874 43.4942 -2.16905 -20.6756 2.10533 8.04113 TIMING: 357800 CPU: 1130.01, 0.00314029/step Wall: 1130.01, 0.00314029/step, 4.0494 hours remaining, 232.828125 MB of memory in use. ENERGY: 357800 4025.9887 20570.1845 14423.2561 235.4876 -203791.8113 2746.0222 0.0000 0.0000 52153.4739 -109637.3982 299.7267 -161790.8722 -109273.9009 299.0472 48.6694 80.6795 761277.6300 -10.3362 -10.3796 PRESSURE: 358000 92.0989 0.776477 -72.5337 0.77565 -448.446 108.17 -72.5327 108.171 -235.505 GPRESSURE: 358000 112.429 124.059 -32.6879 35.9853 -400.104 59.9262 11.157 104.78 -218.187 PRESSAVG: 358000 -36.6797 -64.1288 -46.7052 -64.1288 50.6408 -29.2584 -46.7053 -29.2583 -10.7635 GPRESSAVG: 358000 -36.8637 -62.5521 -46.5946 -64.7028 49.834 -28.2812 -44.2832 -32.2124 -10.2468 TIMING: 358000 CPU: 1130.64, 0.00315801/step Wall: 1130.64, 0.00315801/step, 4.07208 hours remaining, 232.828125 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: 358000 3973.4949 20595.2473 14484.4656 239.4835 -203545.0741 2661.4419 0.0000 0.0000 51977.9298 -109613.0111 298.7179 -161590.9409 -109247.7870 298.9740 -197.2838 -168.6207 761903.6685 1.0659 0.9078 PRESSURE: 358200 451.673 12.4009 -107.442 12.3998 82.6475 82.6776 -107.442 82.6773 138.986 GPRESSURE: 358200 516.446 -41.1294 -193.921 -9.87999 115.277 -59.4595 -56.0262 265.104 140.521 PRESSAVG: 358200 18.1311 -33.7682 -13.5898 -33.7682 -30.6255 -1.05075 -13.5897 -1.0508 5.2741 GPRESSAVG: 358200 18.8743 -33.7347 -14.7025 -33.7415 -31.2692 -0.894629 -12.915 -0.15963 5.24791 TIMING: 358200 CPU: 1131.27, 0.0031526/step Wall: 1131.27, 0.0031526/step, 4.06493 hours remaining, 232.828125 MB of memory in use. ENERGY: 358200 3934.3735 20587.0392 14527.8185 220.1723 -203508.1146 2731.1027 0.0000 0.0000 51861.7436 -109645.8649 298.0502 -161507.6084 -109284.4084 298.8022 224.4352 257.4144 759869.0322 -2.4068 -2.3823 PRESSURE: 358400 -104.39 -70.2576 16.4716 -70.2583 -50.8983 -128.181 16.4718 -128.179 -345.267 GPRESSURE: 358400 -75.3459 -14.2816 -122.317 -16.7333 41.6438 -107.445 5.13096 -63.8455 -347.495 PRESSAVG: 358400 -1.18418 37.2747 -10.4372 37.2747 48.5982 15.1897 -10.4371 15.1897 21.9992 GPRESSAVG: 358400 -1.12437 38.3563 -8.99262 35.3741 49.7968 15.3482 -11.3775 15.9089 21.3322 TIMING: 358400 CPU: 1131.9, 0.00312639/step Wall: 1131.9, 0.00312639/step, 4.03096 hours remaining, 232.828125 MB of memory in use. ENERGY: 358400 3949.2352 20298.2437 14474.6367 245.9388 -203239.2795 2644.1155 0.0000 0.0000 52166.2040 -109460.9056 299.7999 -161627.1097 -109092.1930 299.5120 -166.8516 -127.0658 760350.7145 23.1378 23.3349 PRESSURE: 358600 6.19946 69.1927 109.718 69.1927 147.876 91.6001 109.718 91.6006 142.218 GPRESSURE: 358600 92.1384 38.62 148.397 152.842 160.773 105.432 -2.66206 -3.04819 121.807 PRESSAVG: 358600 -34.653 61.2966 45.132 61.2965 39.7157 29.5862 45.132 29.5862 -19.4014 GPRESSAVG: 358600 -34.7123 59.4266 45.0355 62.578 38.763 29.8999 44.5772 28.2017 -18.3367 TIMING: 358600 CPU: 1132.53, 0.00314321/step Wall: 1132.53, 0.00314321/step, 4.05247 hours remaining, 232.828125 MB of memory in use. ENERGY: 358600 4018.6333 20422.2929 14439.3907 235.8768 -203461.3619 2899.4949 0.0000 0.0000 52133.6000 -109312.0734 299.6125 -161445.6733 -108951.8175 299.1782 98.7644 124.9061 761128.3150 -4.7796 -4.7620 PRESSURE: 358800 -288.563 97.3198 19.1472 97.3196 20.8005 -59.7734 19.1468 -59.7737 -259.372 GPRESSURE: 358800 -142.605 76.3588 -29.8525 74.9499 -51.3038 -165.249 108.1 -15.2008 -252.44 PRESSAVG: 358800 -25.9373 -11.1785 37.4419 -11.1786 25.2148 -34.2002 37.4419 -34.2001 -3.02179 GPRESSAVG: 358800 -25.9663 -10.9985 37.6563 -10.6139 25.8165 -36.0467 36.7518 -35.3065 -3.7675 TIMING: 358800 CPU: 1133.16, 0.00313842/step Wall: 1133.16, 0.00313842/step, 4.04613 hours remaining, 232.828125 MB of memory in use. ENERGY: 358800 4010.2255 20584.1884 14501.0236 251.9097 -203694.1227 2812.1406 0.0000 0.0000 52307.7317 -109226.9032 300.6133 -161534.6350 -108865.0224 299.7977 -175.7116 -148.7827 762970.1623 -1.2481 -1.3058 PRESSURE: 359000 114.324 -21.6045 -237.22 -21.6056 540.42 36.5035 -237.22 36.5037 194.867 GPRESSURE: 359000 146.016 -24.6767 -130.705 -39.6194 584.979 24.4089 -152.603 -101.761 228.656 PRESSAVG: 359000 -105.49 7.88464 -42.7719 7.88458 82.2734 -31.5211 -42.7719 -31.5211 28.062 GPRESSAVG: 359000 -106.73 6.15603 -42.9862 8.44223 81.7638 -30.4239 -41.4748 -29.9032 29.5173 TIMING: 359000 CPU: 1133.79, 0.00316609/step Wall: 1133.79, 0.00316609/step, 4.08162 hours remaining, 232.828125 MB of memory in use. ENERGY: 359000 4011.7437 20705.1677 14453.9650 250.9544 -203725.5195 2872.8013 0.0000 0.0000 52209.5011 -109221.3862 300.0487 -161430.8873 -108856.8319 299.9045 283.2037 319.8835 762643.2188 1.6151 1.5170 PRESSURE: 359200 88.8661 76.7079 -165.323 76.708 433.09 -53.5161 -165.323 -53.5169 284.348 GPRESSURE: 359200 121.582 49.4512 -96.7482 -31.1866 420.749 -129.787 -133.091 -15.7652 333.202 PRESSAVG: 359200 -51.9747 -14.0621 45.3745 -14.0622 42.3598 -46.9766 45.3746 -46.9767 0.265572 GPRESSAVG: 359200 -51.3593 -12.6247 44.7959 -16.0086 41.7393 -47.5447 45.2786 -46.1724 0.126447 TIMING: 359200 CPU: 1134.42, 0.00318287/step Wall: 1134.42, 0.00318287/step, 4.10308 hours remaining, 232.828125 MB of memory in use. ENERGY: 359200 3931.7106 20619.4760 14496.4194 243.1474 -203489.5499 2760.1996 0.0000 0.0000 52247.9850 -109190.6117 300.2699 -161438.5967 -108831.7610 299.4332 268.7678 291.8444 761715.7645 -3.1164 -3.1645 PRESSURE: 359400 -39.2417 -51.4865 231.094 -51.4871 131.831 -43.2921 231.094 -43.2922 158.608 GPRESSURE: 359400 -5.8466 26.037 237.236 -47.8886 134.212 -47.0716 171.885 41.3721 185.539 PRESSAVG: 359400 -49.4118 10.096 4.35575 10.096 40.4382 9.21704 4.35572 9.21701 2.43043 GPRESSAVG: 359400 -49.4312 10.9767 5.85405 11.2659 41.132 11.0614 4.06861 7.14661 1.53034 TIMING: 359400 CPU: 1135.06, 0.0031583/step Wall: 1135.06, 0.0031583/step, 4.07123 hours remaining, 232.828125 MB of memory in use. ENERGY: 359400 3959.6812 20628.1757 14399.7251 254.9363 -203794.4162 2913.2871 0.0000 0.0000 52188.2547 -109450.3560 299.9266 -161638.6107 -109093.4881 299.1184 83.7323 104.6347 763308.4146 -2.1811 -2.2563 PRESSURE: 359600 21.3579 121.491 -119.249 121.49 59.0797 -2.91595 -119.249 -2.91616 19.057 GPRESSURE: 359600 103.139 137.163 -161.717 92.0511 28.1078 36.8363 -107.704 6.25131 46.9416 PRESSAVG: 359600 -19.9654 16.8508 6.2146 16.8508 17.8569 20.1403 6.21466 20.1402 3.69544 GPRESSAVG: 359600 -20.9678 14.2201 5.29432 17.905 18.0221 19.5027 6.0964 21.881 4.96737 TIMING: 359600 CPU: 1135.69, 0.00316969/step Wall: 1135.69, 0.00316969/step, 4.08573 hours remaining, 232.828125 MB of memory in use. ENERGY: 359600 3993.5188 20518.8319 14422.1059 247.7256 -203662.1703 2889.1989 0.0000 0.0000 52096.1240 -109494.6651 299.3971 -161590.7891 -109131.4608 298.8703 33.1648 59.3960 761087.7625 0.5290 0.6739 PRESSURE: 359800 -130.164 74.2017 -176.231 74.2021 82.6812 192.685 -176.232 192.684 279.519 GPRESSURE: 359800 -61.4642 73.3681 -153.75 37.2851 110.66 133.726 -207.87 215.738 260.362 PRESSAVG: 359800 -32.5443 -16.71 24.9054 -16.71 52.4401 14.5389 24.9054 14.5389 20.3933 GPRESSAVG: 359800 -32.7457 -15.8022 25.341 -16.3963 53.5009 13.1766 24.8227 14.1 19.8026 TIMING: 359800 CPU: 1136.32, 0.00316719/step Wall: 1136.32, 0.00316719/step, 4.08234 hours remaining, 232.828125 MB of memory in use. ENERGY: 359800 3975.2924 20538.3695 14477.3297 267.5345 -203748.5574 2901.7878 0.0000 0.0000 52063.5818 -109524.6617 299.2101 -161588.2435 -109161.6658 299.0633 77.3455 103.1859 761188.8148 13.4297 13.5193 PRESSURE: 360000 -139.22 -68.4434 119.799 -68.4437 477.804 -128.098 119.799 -128.098 221.204 GPRESSURE: 360000 -73.3249 -36.4678 71.4094 -119.773 505.728 -25.8659 136.236 -156.106 210.333 PRESSAVG: 360000 -9.68052 -77.2071 -7.67258 -77.2071 10.5367 2.77723 -7.67255 2.77728 23.8638 GPRESSAVG: 360000 -8.02941 -79.1241 -7.52828 -78.466 9.53385 3.30331 -7.62162 2.62587 22.9622 TIMING: 360000 CPU: 1136.95, 0.00314274/step Wall: 1136.95, 0.00314274/step, 4.05065 hours remaining, 232.828125 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: 360000 3974.9115 20462.8450 14500.6391 245.0198 -203522.8210 2789.6084 0.0000 0.0000 51863.3094 -109686.4878 298.0592 -161549.7972 -109325.7906 298.7262 186.5959 214.2456 761690.5064 8.2400 8.1555 PRESSURE: 360200 -245.32 74.9789 155.178 74.9787 -201.945 61.2513 155.178 61.2509 -136.973 GPRESSURE: 360200 -177.552 26.7056 178.087 92.2354 -237.563 61.4761 136.436 72.0195 -80.6788 PRESSAVG: 360200 6.92387 -49.6434 44.7772 -49.6434 19.8009 4.22647 44.7772 4.22649 1.76158 GPRESSAVG: 360200 6.61195 -48.9778 45.2469 -49.5711 19.6412 5.01588 45.1454 2.47527 1.71722 TIMING: 360200 CPU: 1137.59, 0.0031635/step Wall: 1137.59, 0.0031635/step, 4.07722 hours remaining, 232.828125 MB of memory in use. ENERGY: 360200 4010.4069 20474.6867 14459.0059 252.8507 -203173.5249 2412.1345 0.0000 0.0000 51904.4867 -109659.9534 298.2958 -161564.4401 -109287.7238 298.2177 -194.7459 -165.2647 760644.3243 9.4955 9.3235 LDB: ============= START OF LOAD BALANCING ============== 1150.12 LDB: ============== END OF LOAD BALANCING =============== 1150.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1150.12 LDB: ============= START OF LOAD BALANCING ============== 1150.43 LDB: Largest compute 7060 load 0.030222 is 15.5% of average load 0.195162 LDB: Average compute 0.004394 is 2.3% of average load 0.195162 LDB: TIME 1150.44 LOAD: AVG 0.195162 MAX 0.215892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.816 MB LDB: TIME 1150.44 LOAD: AVG 0.195162 MAX 0.215892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.84 MB LDB: TIME 1150.44 LOAD: AVG 0.195162 MAX 0.215892 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.84 MB LDB: ============== END OF LOAD BALANCING =============== 1150.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1150.44 PRESSURE: 360400 -275.769 32.3879 265.498 32.3889 -563.925 -136.556 265.498 -136.557 -155.25 GPRESSURE: 360400 -284.669 -59.1754 284.192 72.2565 -384.261 -144.176 162.738 -114.495 -215.708 PRESSAVG: 360400 -12.3448 -47.4306 31.6587 -47.4306 -7.40874 -8.16617 31.6587 -8.16614 9.20144 GPRESSAVG: 360400 -14.2857 -46.383 31.6359 -46.4877 -5.3205 -8.7257 31.7206 -5.65771 8.6175 TIMING: 360400 CPU: 1138.23, 0.00320447/step Wall: 1138.23, 0.00320446/step, 4.12984 hours remaining, 232.187500 MB of memory in use. ENERGY: 360400 4003.8384 20556.8334 14430.9698 261.0420 -203305.7749 2461.7677 0.0000 0.0000 52308.0563 -109283.2673 300.6151 -161591.3235 -108913.9258 299.3962 -331.6480 -294.8793 762933.9979 -3.5174 -3.6629 PRESSURE: 360600 -51.838 22.9206 -34.6151 22.9203 -96.7879 73.8017 -34.6148 73.8009 -159.733 GPRESSURE: 360600 -48.1355 107.865 -74.9536 48.6734 -55.5937 115.856 -69.0649 38.4977 -93.4119 PRESSAVG: 360600 -44.2261 -12.2164 -3.51045 -12.2163 8.6931 -21.7657 -3.51048 -21.7656 5.59351 GPRESSAVG: 360600 -43.8646 -12.4366 -4.88008 -12.6014 7.27563 -22.5536 -3.82337 -21.8405 6.86941 TIMING: 360600 CPU: 1138.85, 0.00313245/step Wall: 1138.85, 0.00313245/step, 4.03686 hours remaining, 232.187500 MB of memory in use. ENERGY: 360600 4079.9051 20541.6669 14439.2371 249.9640 -203407.1908 2778.1537 0.0000 0.0000 52105.7098 -109212.5543 299.4522 -161318.2642 -108849.0228 298.9172 -102.7865 -65.7137 762057.8485 -9.9798 -9.9065 PRESSURE: 360800 -43.2328 -158.803 55.6136 -158.803 499.508 95.0879 55.614 95.0877 -135.816 GPRESSURE: 360800 11.9331 -89.8529 122.311 -236.468 469.311 64.9205 207.288 95.9484 -84.1192 PRESSAVG: 360800 -42.7788 -20.8659 31.7096 -20.8659 41.8626 54.7805 31.7096 54.7805 19.2215 GPRESSAVG: 360800 -42.4973 -23.3343 32.4673 -21.5309 41.3295 53.2759 31.9417 58.8796 19.7692 TIMING: 360800 CPU: 1139.48, 0.00315619/step Wall: 1139.48, 0.00315619/step, 4.06728 hours remaining, 232.187500 MB of memory in use. ENERGY: 360800 4072.4024 20661.4509 14514.2944 231.8409 -203361.2619 2961.8598 0.0000 0.0000 51843.1488 -109076.2647 297.9433 -160919.4135 -108724.8336 299.4039 106.8199 132.3750 762644.6204 6.1018 6.2005 PRESSURE: 361000 25.0723 74.823 60.6071 74.8225 286.992 53.9126 60.6071 53.9121 -57.7411 GPRESSURE: 361000 113.018 54.9615 45.3649 116.365 259.113 82.1505 -26.2389 -19.8046 -30.9589 PRESSAVG: 361000 -76.7083 -1.78734 25.4619 -1.78739 90.7637 2.66064 25.4619 2.66056 -4.76132 GPRESSAVG: 361000 -76.9488 1.85232 24.4685 -2.13364 91.4147 6.61583 26.6103 -4.61092 -5.41115 TIMING: 361000 CPU: 1140.11, 0.00314324/step Wall: 1140.11, 0.00314324/step, 4.05042 hours remaining, 232.187500 MB of memory in use. ENERGY: 361000 3936.7551 20366.4853 14540.4899 274.3175 -203163.4391 2947.0376 0.0000 0.0000 52046.7724 -109051.5814 299.1135 -161098.3537 -108684.9549 299.2713 84.7745 113.7238 763150.8790 3.0980 3.0183 PRESSURE: 361200 -54.2876 -19.9816 -118.095 -19.9807 116.963 96.3883 -118.095 96.3888 244.847 GPRESSURE: 361200 13.6138 -26.1535 -17.871 27.6783 141.342 144.451 -214.319 55.5063 253.322 PRESSAVG: 361200 -32.9638 -29.845 18.7518 -29.8449 21.1065 2.99839 18.7519 2.99838 12.8981 GPRESSAVG: 361200 -32.7151 -30.7718 20.2422 -26.9246 21.0773 2.24667 18.125 5.55353 12.7675 TIMING: 361200 CPU: 1140.74, 0.0031269/step Wall: 1140.74, 0.0031269/step, 4.02919 hours remaining, 232.187500 MB of memory in use. ENERGY: 361200 4069.1555 20381.9139 14434.7020 227.2615 -203302.0789 2750.3094 0.0000 0.0000 52147.7001 -109291.0364 299.6935 -161438.7366 -108926.2367 299.1422 102.5076 136.0925 762093.4469 0.3469 0.3766 PRESSURE: 361400 88.8439 215.031 126.296 215.031 -49.6359 4.40781 126.296 4.40883 35.7382 GPRESSURE: 361400 113.778 138.87 81.6032 93.2464 18.0477 25.7433 155.077 -108.065 12.5365 PRESSAVG: 361400 12.5507 32.6969 62.8644 32.6969 11.8299 40.8874 62.8645 40.8873 -29.6901 GPRESSAVG: 361400 12.8913 33.565 61.9946 29.2501 11.1259 39.6426 60.5379 39.35 -29.7456 TIMING: 361400 CPU: 1141.37, 0.00316042/step Wall: 1141.37, 0.00316042/step, 4.0722 hours remaining, 232.187500 MB of memory in use. ENERGY: 361400 3972.5304 20519.4703 14366.8386 234.3195 -203197.2571 2613.4417 0.0000 0.0000 51990.7641 -109499.8926 298.7916 -161490.6567 -109125.8794 298.6672 24.9821 48.1206 762762.4061 -1.7698 -1.9094 PRESSURE: 361600 -182.453 146.125 -93.0393 146.125 -200.757 -148.63 -93.04 -148.631 85.3741 GPRESSURE: 361600 -243.331 98.0327 -25.9733 143.361 -146.773 -115.53 -171.227 -189.158 167.538 PRESSAVG: 361600 19.1353 -7.88168 28.8676 -7.88167 -11.3543 -12.971 28.8676 -12.971 14.2627 GPRESSAVG: 361600 16.7739 -9.35735 29.9205 -7.1467 -10.2869 -12.1245 29.2465 -11.548 14.7182 TIMING: 361600 CPU: 1142, 0.00313497/step Wall: 1142, 0.00313497/step, 4.03923 hours remaining, 232.187500 MB of memory in use. ENERGY: 361600 3936.2654 20593.7890 14419.7865 232.2490 -203205.0007 2522.0099 0.0000 0.0000 52045.3629 -109455.5379 299.1054 -161500.9009 -109099.8987 299.1626 -99.2788 -74.1890 761114.0024 7.3479 7.0684 PRESSURE: 361800 -131.328 -5.01309 -109.747 -5.01338 -84.6556 46.466 -109.747 46.4658 -144.098 GPRESSURE: 361800 -42.9989 13.1076 -59.8377 9.76584 -118.822 44.873 -62.9649 100.295 -93.4279 PRESSAVG: 361800 3.73291 -34.6795 11.1888 -34.6795 -6.88649 25.7794 11.1888 25.7794 25.9215 GPRESSAVG: 361800 4.4501 -34.3615 11.6168 -34.75 -6.27772 23.2037 12.1621 27.0423 25.0595 TIMING: 361800 CPU: 1142.62, 0.00314004/step Wall: 1142.62, 0.00314004/step, 4.04559 hours remaining, 232.187500 MB of memory in use. ENERGY: 361800 3980.3318 20669.9142 14523.5167 240.7092 -203419.9206 2637.8940 0.0000 0.0000 51832.9670 -109534.5877 297.8848 -161367.5547 -109185.1940 298.6431 -120.0272 -85.0829 762129.5833 7.5893 7.7440 PRESSURE: 362000 43.7585 269.675 107.133 269.675 -195.174 137.181 107.133 137.181 -306.905 GPRESSURE: 362000 65.9082 167.434 148.652 245.69 -113.211 117.681 195.71 65.841 -328.657 PRESSAVG: 362000 22.5812 19.592 -30.3853 19.592 -18.1319 -2.37638 -30.3853 -2.37633 -18.0776 GPRESSAVG: 362000 23.9538 17.8118 -31.9954 19.4924 -19.4675 0.279626 -31.7212 -3.45437 -17.3735 TIMING: 362000 CPU: 1143.25, 0.00313786/step Wall: 1143.25, 0.00313786/step, 4.04261 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: 362000 4021.5552 20461.7726 14489.5817 271.0546 -203363.4567 2742.5130 0.0000 0.0000 51951.4199 -109425.5598 298.5655 -161376.9797 -109053.5712 298.7395 -152.7734 -125.3200 761904.4133 -4.5428 -4.2957 PRESSURE: 362200 -274.438 -34.998 71.2488 -34.998 -396.191 -42.3119 71.2487 -42.3128 -28.7819 GPRESSURE: 362200 -369.815 -83.8991 37.1233 74.5285 -250.871 -17.7444 148.368 -205.276 11.8555 PRESSAVG: 362200 -2.23252 20.802 58.2534 20.8019 -4.41426 46.5877 58.2535 46.5876 -1.82198 GPRESSAVG: 362200 -3.97738 21.1233 59.1295 23.4053 -3.29441 46.4906 59.5022 44.0799 -1.55809 TIMING: 362200 CPU: 1143.88, 0.00314649/step Wall: 1143.88, 0.00314649/step, 4.05355 hours remaining, 232.187500 MB of memory in use. ENERGY: 362200 4018.3302 20566.0733 14578.1241 251.8917 -203151.9004 2205.5168 0.0000 0.0000 52078.5182 -109453.4461 299.2960 -161531.9643 -109091.5598 298.9031 -233.1369 -202.9436 760513.1377 -2.8229 -2.9433 PRESSURE: 362400 139.27 -217.537 -98.0073 -217.537 257.696 -234.977 -98.0068 -234.977 -0.647244 GPRESSURE: 362400 233.923 -224.088 -149.756 -164.727 259.841 -214.785 55.021 -221.63 -7.41449 PRESSAVG: 362400 30.7087 -37.0767 -15.5731 -37.0768 15.5387 -15.274 -15.5731 -15.2738 6.72403 GPRESSAVG: 362400 30.1282 -35.5608 -15.7694 -38.6357 16.4788 -15.3722 -16.2682 -13.1896 6.5365 TIMING: 362400 CPU: 1144.51, 0.00315066/step Wall: 1144.51, 0.00315066/step, 4.05876 hours remaining, 232.187500 MB of memory in use. ENERGY: 362400 3996.1527 20501.6112 14552.9221 269.2622 -203642.7942 2825.0903 0.0000 0.0000 51907.3466 -109590.4092 298.3122 -161497.7558 -109234.2312 299.2296 132.1060 162.1165 760206.4816 17.6571 17.7145 PRESSURE: 362600 -249.43 -0.225202 -48.5321 -0.226507 -31.438 201.244 -48.5315 201.245 -55.8584 GPRESSURE: 362600 -212.08 -79.6415 -20.2114 8.46717 36.8814 181.707 -158.922 184.185 -77.3199 PRESSAVG: 362600 -32.367 -19.666 4.4797 -19.666 21.1956 -80.0125 4.47975 -80.0126 1.93928 GPRESSAVG: 362600 -31.8057 -20.2174 6.09879 -19.709 20.4897 -82.5548 3.0259 -78.2776 1.41996 TIMING: 362600 CPU: 1145.14, 0.00315913/step Wall: 1145.14, 0.00315913/step, 4.06948 hours remaining, 232.187500 MB of memory in use. ENERGY: 362600 3973.8571 20425.9442 14570.8168 235.2404 -203148.7341 2432.4669 0.0000 0.0000 52015.0279 -109495.3809 298.9311 -161510.4088 -109127.1465 298.9588 -112.2421 -84.1727 762726.6513 -3.0774 -3.2987 PRESSURE: 362800 20.7085 111.675 240.618 111.675 23.0232 -94.072 240.619 -94.0725 -426.427 GPRESSURE: 362800 90.2708 181.455 199.616 79.8725 -2.51913 -93.2324 101.97 -27.1712 -374.034 PRESSAVG: 362800 21.798 6.91288 84.2476 6.91285 -48.2879 -1.02578 84.2475 -1.02576 -14.1752 GPRESSAVG: 362800 21.5092 6.70735 82.692 5.17367 -49.1623 1.96824 85.3124 -3.98814 -13.5909 TIMING: 362800 CPU: 1145.77, 0.0031459/step Wall: 1145.77, 0.0031459/step, 4.05226 hours remaining, 232.187500 MB of memory in use. ENERGY: 362800 4022.8523 20543.0675 14512.4893 251.9453 -203403.9791 2396.4329 0.0000 0.0000 52192.7102 -109484.4816 299.9522 -161677.1918 -109117.4091 299.4596 -127.5649 -95.4274 760414.5586 -13.5551 -13.7480 PRESSURE: 363000 222.481 23.5362 6.44993 23.5369 81.381 -84.529 6.44962 -84.5294 -13.7348 GPRESSURE: 363000 261.363 79.9946 121.849 62.8215 158.698 -198.529 -99.6404 -63.2578 -23.7434 PRESSAVG: 363000 16.0064 -14.8959 18.819 -14.8957 -18.4137 22.2916 18.8189 22.2915 1.92166 GPRESSAVG: 363000 16.1493 -12.9713 18.1172 -12.4906 -18.2359 21.6287 18.7274 23.5238 1.98015 TIMING: 363000 CPU: 1146.4, 0.00313551/step Wall: 1146.4, 0.00313551/step, 4.03872 hours remaining, 232.187500 MB of memory in use. ENERGY: 363000 4052.0790 20377.3475 14479.6519 239.7309 -203596.2945 2869.0460 0.0000 0.0000 52014.9521 -109563.4871 298.9306 -161578.4392 -109204.5428 299.2701 96.7090 132.1061 760019.2644 -0.1619 -0.0355 PRESSURE: 363200 177.367 -218.231 23.269 -218.231 -33.5772 -126.949 23.2703 -126.948 248.828 GPRESSURE: 363200 128.747 -146.615 100.49 -203.084 74.7031 -97.9796 -40.1988 -48.3413 282.15 PRESSAVG: 363200 -16.8989 -28.8477 38.1449 -28.8477 20.4827 -10.6467 38.1449 -10.6466 -4.94231 GPRESSAVG: 363200 -17.3405 -29.9806 39.1893 -28.3356 21.0122 -10.3716 38.452 -9.57134 -4.79943 TIMING: 363200 CPU: 1147.03, 0.00316155/step Wall: 1147.03, 0.00316155/step, 4.07208 hours remaining, 232.187500 MB of memory in use. ENERGY: 363200 4007.9721 20505.4642 14557.0562 247.8087 -203156.0894 2383.2304 0.0000 0.0000 52030.1072 -109424.4507 299.0177 -161454.5578 -109072.2024 298.7812 130.8725 161.8668 760407.3446 -0.4528 -0.3759 PRESSURE: 363400 210.953 73.3719 -168.727 73.3714 -102.77 40.3322 -168.727 40.3306 -32.5337 GPRESSURE: 363400 193.89 41.4251 -194.924 44.4697 -11.8575 109.093 -198.764 91.5789 -15.5955 PRESSAVG: 363400 4.15819 44.9482 -0.252008 44.9481 -3.95447 22.0436 -0.252031 22.0437 2.00657 GPRESSAVG: 363400 3.86188 45.7246 -2.73493 43.955 -3.54312 21.9452 1.97541 22.2107 1.2518 TIMING: 363400 CPU: 1147.66, 0.00315605/step Wall: 1147.66, 0.00315605/step, 4.06482 hours remaining, 232.187500 MB of memory in use. ENERGY: 363400 3990.4085 20391.2713 14497.0691 258.0261 -203800.0477 2936.5429 0.0000 0.0000 51979.4641 -109747.2657 298.7267 -161726.7298 -109388.9863 298.6142 25.2164 55.4790 760223.3968 0.7368 0.5235 PRESSURE: 363600 320.666 119.687 244.868 119.687 23.5931 -252.567 244.867 -252.568 255.115 GPRESSURE: 363600 342.217 84.5195 194.079 19.7283 140.671 -254.08 271.273 -217.039 208.983 PRESSAVG: 363600 9.82954 15.0071 -25.0583 15.007 -15.9307 -38.6442 -25.0584 -38.6442 -6.23539 GPRESSAVG: 363600 11.5875 15.1632 -22.4443 16.871 -17.7487 -39.5858 -27.4081 -39.7572 -6.36873 TIMING: 363600 CPU: 1148.29, 0.00314902/step Wall: 1148.29, 0.00314902/step, 4.05559 hours remaining, 232.187500 MB of memory in use. ENERGY: 363600 3949.0488 20466.2821 14561.7903 259.7640 -203576.8614 2735.1324 0.0000 0.0000 51846.6913 -109758.1524 297.9636 -161604.8437 -109401.8367 298.6234 199.7915 230.6238 762306.9465 -4.1122 -4.1766 PRESSURE: 363800 -45.4882 163.73 2.49848 163.73 53.9351 91.1055 2.498 91.1048 -302.639 GPRESSURE: 363800 -4.09829 157.001 -25.9349 224.549 52.6485 138.135 54.485 -3.06133 -260.619 PRESSAVG: 363800 0.152296 50.9527 27.1936 50.9527 44.1476 -26.0945 27.1936 -26.0944 -3.95027 GPRESSAVG: 363800 0.640624 49.7295 25.2985 49.0112 43.8908 -25.6526 28.481 -23.8232 -3.49657 TIMING: 363800 CPU: 1148.92, 0.00313838/step Wall: 1148.92, 0.00313838/step, 4.0417 hours remaining, 232.187500 MB of memory in use. ENERGY: 363800 3949.7974 20512.1429 14491.4863 246.7469 -203885.3259 2886.1400 0.0000 0.0000 52204.2827 -109594.7297 300.0187 -161799.0124 -109229.5529 298.4529 -98.0640 -70.6896 761862.1763 13.4499 13.6783 PRESSURE: 364000 32.6187 -124.755 -247.024 -124.755 70.6619 38.2988 -247.023 38.2991 -340.807 GPRESSURE: 364000 74.5868 -146.624 -184.242 -110.112 60.8615 59.9958 -162.709 -154.034 -274.153 PRESSAVG: 364000 -23.0947 45.7396 -18.7951 45.7397 -18.2241 43.6574 -18.7951 43.6574 -20.3353 GPRESSAVG: 364000 -24.7748 49.5469 -15.6007 46.1953 -17.1674 45.0012 -21.4762 40.955 -19.7822 TIMING: 364000 CPU: 1149.55, 0.0031601/step Wall: 1149.55, 0.0031601/step, 4.06951 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: 364000 3965.0256 20662.1730 14514.6885 248.1588 -203318.1573 2646.9856 0.0000 0.0000 51733.5703 -109547.5554 297.3135 -161281.1258 -109192.2034 298.9119 -79.1754 -46.2350 762813.0120 -20.5513 -20.5748 PRESSURE: 364200 -337.552 40.9163 133.835 40.9148 278.168 115.109 133.835 115.109 -39.1977 GPRESSURE: 364200 -298.65 1.12889 63.7476 136.262 344.519 136.599 145.577 93.0836 -68.4303 PRESSAVG: 364200 -0.903517 26.158 4.49387 26.158 19.9182 51.4603 4.49393 51.4603 -6.00821 GPRESSAVG: 364200 -0.870171 23.0205 4.03583 26.5592 19.2825 49.7412 7.04734 53.8908 -5.81327 TIMING: 364200 CPU: 1150.19, 0.00316991/step Wall: 1150.19, 0.00316991/step, 4.08196 hours remaining, 232.187500 MB of memory in use. ENERGY: 364200 3960.5907 20463.4112 14532.2309 252.5146 -203449.3349 2764.9360 0.0000 0.0000 52053.2066 -109422.4450 299.1505 -161475.6516 -109051.5746 299.1416 -32.8606 -7.5205 761817.9533 4.3355 4.1997 LDB: ============= START OF LOAD BALANCING ============== 1162.72 LDB: ============== END OF LOAD BALANCING =============== 1162.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1162.72 LDB: ============= START OF LOAD BALANCING ============== 1163.04 LDB: Largest compute 7060 load 0.034765 is 17.8% of average load 0.195189 LDB: Average compute 0.004393 is 2.3% of average load 0.195189 LDB: TIME 1163.04 LOAD: AVG 0.195189 MAX 0.214578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.473 MB LDB: TIME 1163.04 LOAD: AVG 0.195189 MAX 0.214578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: TIME 1163.04 LOAD: AVG 0.195189 MAX 0.214578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.676 MB LDB: ============== END OF LOAD BALANCING =============== 1163.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1163.05 PRESSURE: 364400 220.905 35.7262 90.7465 35.7267 251.214 132.462 90.7474 132.462 218.598 GPRESSURE: 364400 223.911 126.658 86.8473 69.1444 310.215 87.9641 43.5618 180.688 238.59 PRESSAVG: 364400 -57.6319 21.5297 45.9216 21.5296 86.2564 -6.7814 45.9216 -6.78144 -9.32912 GPRESSAVG: 364400 -57.297 23.5298 43.4023 19.7801 86.2107 -4.41984 44.6366 -9.93334 -9.39982 TIMING: 364400 CPU: 1150.83, 0.00321926/step Wall: 1150.83, 0.00321926/step, 4.14534 hours remaining, 233.671875 MB of memory in use. ENERGY: 364400 4027.4551 20621.9422 14448.8142 263.9977 -203437.9141 2756.7834 0.0000 0.0000 51940.3444 -109378.5772 298.5019 -161318.9216 -109022.8302 298.9669 230.2390 257.5720 762213.6607 6.4318 6.5046 PRESSURE: 364600 -502.807 22.0012 25.5328 22.0014 -64.1752 -169.186 25.5336 -169.185 143.036 GPRESSURE: 364600 -420.934 19.5054 151.167 30.2851 45.5395 -214.147 38.1166 -3.09096 48.8916 PRESSAVG: 364600 -18.5238 -38.8737 29.7174 -38.8736 52.3012 -25.8976 29.7173 -25.8976 10.9331 GPRESSAVG: 364600 -19.0532 -40.0051 32.1845 -38.0787 52.7401 -26.1643 28.7371 -24.5981 11.1174 TIMING: 364600 CPU: 1151.46, 0.00314901/step Wall: 1151.46, 0.00314901/step, 4.0547 hours remaining, 233.742188 MB of memory in use. ENERGY: 364600 4041.7188 20704.8934 14446.6175 238.5347 -203419.7288 2403.4365 0.0000 0.0000 52051.9250 -109532.6028 299.1431 -161584.5279 -109168.1143 299.1993 -141.3155 -108.8343 760976.4493 14.9035 14.9348 PRESSURE: 364800 -183.228 133.187 57.556 133.186 135.19 186.159 57.5561 186.159 72.079 GPRESSURE: 364800 -91.2435 2.25497 -11.0503 139.004 100.385 107.046 52.2864 99.0061 118.935 PRESSAVG: 364800 -27.4436 49.7504 58.2841 49.7504 23.7898 -18.8722 58.284 -18.8722 23.3749 GPRESSAVG: 364800 -25.4508 49.5455 57.4364 50.8252 22.7888 -19.5932 58.4577 -19.1885 22.6179 TIMING: 364800 CPU: 1152.09, 0.0031385/step Wall: 1152.09, 0.0031385/step, 4.041 hours remaining, 233.742188 MB of memory in use. ENERGY: 364800 4011.1076 20583.9492 14420.2201 222.0963 -203236.9936 2523.3707 0.0000 0.0000 52006.7559 -109469.4939 298.8835 -161476.2498 -109101.4042 298.9754 8.0136 42.6923 761981.2604 6.5737 6.6520 PRESSURE: 365000 -183.247 77.0665 -118.558 77.0662 39.9024 41.2828 -118.559 41.2829 38.4234 GPRESSURE: 365000 -134.803 11.365 -96.2067 91.3865 92.9319 29.0851 -124.08 22.7495 35.5294 PRESSAVG: 365000 -36.5647 -17.2478 38.9748 -17.2479 24.9535 16.4114 38.9748 16.4114 19.5356 GPRESSAVG: 365000 -37.6977 -18.694 39.5175 -15.8759 26.1778 17.6721 40.5752 15.0784 19.8507 TIMING: 365000 CPU: 1152.72, 0.0031336/step Wall: 1152.72, 0.0031336/step, 4.03452 hours remaining, 233.742188 MB of memory in use. ENERGY: 365000 4051.9064 20473.4659 14468.2691 266.4431 -203243.2258 2401.7550 0.0000 0.0000 52104.0834 -109477.3029 299.4429 -161581.3862 -109110.6230 299.0368 -34.9738 -2.1137 760692.1147 2.6415 2.7769 PRESSURE: 365200 -349.259 216.03 -65.5498 216.029 216.321 7.51197 -65.5492 7.51252 107.211 GPRESSURE: 365200 -281.819 220.505 -165.723 147.248 236.464 -11.6192 -4.11106 145.376 113.255 PRESSAVG: 365200 2.71067 22.5141 30.6202 22.5141 32.8044 6.19547 30.6202 6.19549 16.5289 GPRESSAVG: 365200 2.43676 24.5877 30.0602 20.0278 32.9375 5.76951 29.1805 7.29218 17.2324 TIMING: 365200 CPU: 1153.35, 0.00315475/step Wall: 1153.35, 0.00315475/step, 4.06157 hours remaining, 233.742188 MB of memory in use. ENERGY: 365200 3947.7577 20594.3098 14482.1879 245.7080 -203156.4743 2556.0778 0.0000 0.0000 51734.7245 -109595.7085 297.3202 -161330.4331 -109227.7818 298.5491 -8.5758 22.6335 760992.2243 17.3480 17.5355 PRESSURE: 365400 -262.371 -144.013 214.499 -144.014 -61.3838 -47.7179 214.499 -47.7182 -134.256 GPRESSURE: 365400 -208.561 -174.08 133.985 -171.101 -121.219 -85.7269 196.492 -109.714 -53.2097 PRESSAVG: 365400 -30.8492 -62.9281 59.2077 -62.9281 18.1163 -18.7965 59.2076 -18.7965 0.54843 GPRESSAVG: 365400 -29.8868 -64.2527 59.2542 -62.6186 18.0722 -19.3147 61.0777 -19.4547 0.346871 TIMING: 365400 CPU: 1153.98, 0.00316561/step Wall: 1153.98, 0.00316561/step, 4.07537 hours remaining, 233.742188 MB of memory in use. ENERGY: 365400 3972.6916 20658.3088 14484.5113 263.3216 -202993.5257 2404.3126 0.0000 0.0000 51855.4238 -109354.9560 298.0138 -161210.3798 -108991.4330 299.2682 -152.6703 -127.6633 761543.2033 -4.0615 -3.8226 PRESSURE: 365600 -65.2397 25.0549 56.3114 25.0543 -191.613 112.763 56.312 112.764 153.479 GPRESSURE: 365600 -115.064 10.9207 68.9737 128.898 -26.3874 66.2741 68.8628 99.0511 126.968 PRESSAVG: 365600 27.3852 -29.3518 33.1559 -29.3519 -21.103 11.5848 33.1558 11.5848 -4.84773 GPRESSAVG: 365600 27.4925 -28.8554 32.6381 -28.2567 -20.6439 10.4647 34.4465 13.9632 -5.26758 TIMING: 365600 CPU: 1154.61, 0.00314525/step Wall: 1154.61, 0.00314525/step, 4.04899 hours remaining, 233.742188 MB of memory in use. ENERGY: 365600 4086.3194 20439.6776 14427.3022 252.7700 -203082.6610 2488.6701 0.0000 0.0000 51989.8333 -109398.0884 298.7863 -161387.9216 -109039.7925 299.2780 -34.4579 -4.8278 761812.6784 0.4781 0.5270 PRESSURE: 365800 23.8414 85.7598 84.2176 85.7608 15.8846 -126.988 84.2181 -126.988 -84.0445 GPRESSURE: 365800 86.4132 11.0675 49.8462 93.2224 66.2887 -137.665 157.226 -130.966 -106.113 PRESSAVG: 365800 7.98783 -5.91759 10.0918 -5.91756 -1.17161 -32.8996 10.0918 -32.8996 -6.86413 GPRESSAVG: 365800 8.11378 -5.27031 11.2501 -6.65306 -0.723318 -32.1454 7.88679 -32.9794 -7.07133 TIMING: 365800 CPU: 1155.24, 0.00314197/step Wall: 1155.24, 0.00314197/step, 4.04459 hours remaining, 233.742188 MB of memory in use. ENERGY: 365800 3999.5912 20368.7661 14434.9270 237.0543 -203376.0675 2621.3855 0.0000 0.0000 52287.0450 -109427.2986 300.4944 -161714.3435 -109061.7959 299.1509 -14.7728 15.5295 760499.0154 -0.0160 0.1064 PRESSURE: 366000 150.616 -20.0752 12.2257 -20.0749 -177.861 251.035 12.2256 251.035 284.133 GPRESSURE: 366000 182.974 129.032 7.84021 -66.7232 -138.358 238.517 56.1291 251.606 324.13 PRESSAVG: 366000 14.6554 39.6833 50.2026 39.6834 -38.7573 -31.8764 50.2026 -31.8764 26.8891 GPRESSAVG: 366000 14.5225 38.6619 49.8361 40.3569 -38.3167 -32.2267 52.1082 -32.6089 26.3053 TIMING: 366000 CPU: 1155.87, 0.00314643/step Wall: 1155.87, 0.00314643/step, 4.05016 hours remaining, 233.742188 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: 366000 3891.0845 20494.7917 14417.8933 227.8041 -203253.2805 2740.2562 0.0000 0.0000 51832.2056 -109649.2452 297.8804 -161481.4508 -109282.0493 299.1055 85.6293 122.9154 761905.5532 0.9291 0.8370 PRESSURE: 366200 -143.445 -13.8572 48.2784 -13.8571 -265.255 -114.2 48.2775 -114.201 -300.693 GPRESSURE: 366200 -115.953 10.8591 106.275 19.985 -178.226 -83.4461 53.7996 -13.7836 -330.521 PRESSAVG: 366200 19.156 5.6638 37.4258 5.66386 27.8333 11.8535 37.4258 11.8535 -30.701 GPRESSAVG: 366200 19.2259 6.67207 38.4584 5.27179 27.1236 11.8198 36.3451 11.495 -30.0741 TIMING: 366200 CPU: 1156.49, 0.00313898/step Wall: 1156.49, 0.00313898/step, 4.04039 hours remaining, 233.742188 MB of memory in use. ENERGY: 366200 3890.6260 20418.4966 14430.4164 251.6645 -203226.5522 2579.8145 0.0000 0.0000 52039.4366 -109616.0975 299.0714 -161655.5341 -109263.9959 298.6719 -236.4639 -208.2335 763279.9776 5.4294 5.4252 PRESSURE: 366400 -13.7189 111.393 114.065 111.393 -168.6 69.8861 114.064 69.8851 112.315 GPRESSURE: 366400 29.8976 121.514 178.451 133.077 -93.9492 156.823 -35.6016 -114.889 92.0303 PRESSAVG: 366400 -52.3358 6.30407 -1.58268 6.30406 21.7258 30.5998 -1.58266 30.5997 -17.7145 GPRESSAVG: 366400 -53.0021 6.38891 -3.23644 5.56667 21.9505 30.4664 -0.693585 30.1497 -17.3292 TIMING: 366400 CPU: 1157.13, 0.00315798/step Wall: 1157.13, 0.00315798/step, 4.06467 hours remaining, 233.742188 MB of memory in use. ENERGY: 366400 4085.9248 20384.4339 14384.8520 240.2661 -203591.4973 2925.3257 0.0000 0.0000 51995.0484 -109575.6464 298.8163 -161570.6948 -109217.1722 298.3605 -23.3348 9.3262 763788.6244 -16.1081 -16.1269 PRESSURE: 366600 -97.4577 -74.4399 -158.72 -74.4396 -377.675 -108.321 -158.721 -108.321 333.375 GPRESSURE: 366600 -133.67 -36.9976 -220.417 -57.5127 -216.139 -82.1302 -121.017 -31.5003 258.989 PRESSAVG: 366600 38.8385 -14.6586 12.455 -14.6586 10.8738 20.5483 12.4549 20.5482 2.42747 GPRESSAVG: 366600 39.2042 -16.8422 11.7749 -13.5829 11.6276 21.053 13.1011 21.4715 1.43113 TIMING: 366600 CPU: 1157.76, 0.00315319/step Wall: 1157.76, 0.00315319/step, 4.05833 hours remaining, 233.742188 MB of memory in use. ENERGY: 366600 3997.9733 20381.8321 14454.1556 265.2207 -203779.6008 2849.0036 0.0000 0.0000 52276.6353 -109554.7802 300.4345 -161831.4154 -109191.8625 298.3783 -47.2528 -30.2734 763107.6828 17.3799 17.4210 PRESSURE: 366800 -394.323 148.263 58.3513 148.263 -236.835 -40.4395 58.3512 -40.4403 582.714 GPRESSURE: 366800 -326.595 63.2974 33.2826 126.554 -149.129 -40.7562 99.8074 -72.9151 531.037 PRESSAVG: 366800 -20.4624 -30.3736 46.6362 -30.3736 -28.5367 16.9148 46.6361 16.9148 3.22283 GPRESSAVG: 366800 -20.8305 -28.9792 47.3208 -31.4482 -28.2529 17.3166 45.0134 17.5673 4.05821 TIMING: 366800 CPU: 1158.39, 0.00315357/step Wall: 1158.39, 0.00315357/step, 4.05865 hours remaining, 233.742188 MB of memory in use. ENERGY: 366800 3889.0371 20418.6656 14367.8071 248.5269 -203070.5596 2395.3017 0.0000 0.0000 52093.7065 -109657.5146 299.3832 -161751.2212 -109300.8189 298.6077 -16.1482 18.4375 763096.1914 -15.2588 -15.0084 PRESSURE: 367000 -299.699 97.6888 -43.9214 97.6884 -149.939 -39.0595 -43.9215 -39.0602 -264.384 GPRESSURE: 367000 -298.297 42.1786 -104.159 -18.0123 -83.9673 -100.175 -169.299 -70.5952 -243.617 PRESSAVG: 367000 16.6839 -28.1358 59.8208 -28.1357 2.09261 -5.00313 59.8208 -5.00316 4.15373 GPRESSAVG: 367000 18.0758 -28.9533 59.7892 -27.0516 0.396173 -5.36828 58.2898 -6.25465 4.19906 TIMING: 367000 CPU: 1159.02, 0.00316046/step Wall: 1159.02, 0.00316046/step, 4.06734 hours remaining, 233.742188 MB of memory in use. ENERGY: 367000 3970.9233 20426.6016 14437.1187 255.1756 -203243.7761 2483.8897 0.0000 0.0000 52136.5570 -109533.5102 299.6295 -161670.0672 -109171.7395 298.1543 -238.0072 -208.6270 764314.3761 7.6434 7.5570 PRESSURE: 367200 -23.8098 246.076 -144.514 246.076 127.437 156.823 -144.513 156.824 -266.992 GPRESSURE: 367200 45.2642 172.441 -214.116 179 65.186 118.189 -40.8305 292.876 -191.445 PRESSAVG: 367200 -19.8041 -11.3751 36.411 -11.3752 33.7791 43.3682 36.411 43.3683 -4.05417 GPRESSAVG: 367200 -19.3571 -10.9329 35.7409 -9.66347 32.1678 44.6065 36.8532 43.9492 -3.82934 TIMING: 367200 CPU: 1159.65, 0.00316392/step Wall: 1159.65, 0.00316392/step, 4.07161 hours remaining, 233.742188 MB of memory in use. ENERGY: 367200 3972.2067 20490.2871 14416.9869 264.2903 -203025.8592 2681.0997 0.0000 0.0000 51681.9864 -109519.0020 297.0171 -161200.9884 -109152.5368 298.8740 -54.4550 -26.9984 763268.2147 3.3069 2.9938 PRESSURE: 367400 66.5686 199.759 -141.702 199.759 -395.057 -46.3959 -141.702 -46.3959 269.444 GPRESSURE: 367400 -24.3767 292.325 -171.103 191.957 -213.39 -55.763 -95.3271 -93.7649 264.362 PRESSAVG: 367400 -22.7261 1.86336 0.89508 1.86339 2.39542 -1.76535 0.895139 -1.76533 4.55486 GPRESSAVG: 367400 -23.6569 2.78107 0.709899 0.556538 4.75775 -2.91577 1.94354 -3.26892 3.40251 TIMING: 367400 CPU: 1160.28, 0.00315506/step Wall: 1160.28, 0.00315506/step, 4.06004 hours remaining, 233.742188 MB of memory in use. ENERGY: 367400 3941.2842 20626.9787 14413.1058 250.1024 -203431.3082 2510.1452 0.0000 0.0000 52308.9288 -109380.7631 300.6201 -161689.6919 -109017.8101 298.9318 -19.6816 8.8653 761363.0399 -5.2586 -5.1655 PRESSURE: 367600 -250.922 144.455 -12.1109 144.455 -120.407 -53.0256 -12.1098 -53.0245 -47.9318 GPRESSURE: 367600 -346.33 153.029 107.047 101.904 -33.1484 16.1929 0.560877 -34.015 32.0309 PRESSAVG: 367600 35.4637 -13.1697 30.5872 -13.1697 -46.4431 -43.9721 30.5872 -43.9721 10.8622 GPRESSAVG: 367600 33.8129 -14.3995 31.38 -14.0275 -46.2532 -45.8258 28.1872 -42.8352 11.3844 TIMING: 367600 CPU: 1160.92, 0.00316432/step Wall: 1160.92, 0.00316432/step, 4.07178 hours remaining, 233.742188 MB of memory in use. ENERGY: 367600 4017.8011 20507.3002 14410.5430 250.3174 -203050.3897 2528.0489 0.0000 0.0000 52022.7896 -109313.5895 298.9757 -161336.3791 -108950.2828 299.6000 -139.7536 -115.8159 762848.5965 -0.0391 -0.3520 PRESSURE: 367800 -361.036 -161.733 -93.9116 -161.734 -293.161 248.714 -93.9122 248.714 -309.2 GPRESSURE: 367800 -359.638 -75.1974 -107.423 -148.462 -252.334 260.878 -91.328 183.312 -267.2 PRESSAVG: 367800 -17.3327 -29.2595 37.2703 -29.2595 -11.438 -34.4165 37.2703 -34.4165 -13.7375 GPRESSAVG: 367800 -16.2627 -27.6027 38.0713 -30.0931 -12.3917 -33.4644 38.9139 -33.5241 -13.5783 TIMING: 367800 CPU: 1161.55, 0.0031498/step Wall: 1161.55, 0.0031498/step, 4.05292 hours remaining, 233.742188 MB of memory in use. ENERGY: 367800 3938.9845 20460.4143 14352.0442 263.1279 -202847.3097 2363.8755 0.0000 0.0000 51998.6497 -109470.2137 298.8370 -161468.8634 -109099.2376 299.2693 -321.1325 -293.0573 763555.1589 -14.1694 -14.0776 PRESSURE: 368000 62.2324 90.1393 -311.929 90.1395 -45.7614 -185.017 -311.929 -185.016 183.105 GPRESSURE: 368000 34.949 14.7879 -315.099 97.9197 30.6313 -184.83 -327.219 -139.865 204.019 PRESSAVG: 368000 22.4938 -18.661 39.4254 -18.661 3.64343 -25.049 39.4254 -25.0491 5.00445 GPRESSAVG: 368000 23.4708 -20.5653 39.2689 -18.0778 4.14788 -24.394 36.7186 -25.5347 3.65721 TIMING: 368000 CPU: 1162.18, 0.00316335/step Wall: 1162.18, 0.00316335/step, 4.07018 hours remaining, 233.742188 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: 368000 3963.6261 20492.6156 14438.7217 235.7599 -203138.2028 2348.4948 0.0000 0.0000 52208.8794 -109450.1053 300.0451 -161658.9846 -109082.9244 299.1611 66.5252 89.8666 762080.4589 10.3805 10.4253 PRESSURE: 368200 198.349 -20.1645 51.1931 -20.1636 -108.096 -208.477 51.1935 -208.477 -194.758 GPRESSURE: 368200 244.853 6.8192 83.8192 -63.9719 -41.5848 -233.288 60.5078 -257.459 -235.664 PRESSAVG: 368200 54.0321 19.671 28.1531 19.671 -28.8788 -30.7899 28.1531 -30.7899 -9.19481 GPRESSAVG: 368200 54.0661 19.566 28.9509 20.9196 -30.3793 -31.1274 30.5319 -30.3881 -8.15125 TIMING: 368200 CPU: 1162.81, 0.00315663/step Wall: 1162.81, 0.00315663/step, 4.06135 hours remaining, 233.742188 MB of memory in use. ENERGY: 368200 3922.6326 20572.5693 14422.0178 272.1887 -203347.6580 2609.6094 0.0000 0.0000 51969.3499 -109579.2904 298.6686 -161548.6403 -109220.8070 298.7405 -34.8351 -10.7985 762047.1562 5.3195 5.1785 LDB: ============= START OF LOAD BALANCING ============== 1175.34 LDB: ============== END OF LOAD BALANCING =============== 1175.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1175.34 LDB: ============= START OF LOAD BALANCING ============== 1175.66 LDB: Largest compute 7060 load 0.031803 is 16.3% of average load 0.195104 LDB: Average compute 0.004408 is 2.3% of average load 0.195104 LDB: TIME 1175.66 LOAD: AVG 0.195104 MAX 0.219738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.336 MB LDB: TIME 1175.66 LOAD: AVG 0.195104 MAX 0.219738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.336 MB LDB: TIME 1175.66 LOAD: AVG 0.195104 MAX 0.217467 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.336 MB LDB: ============== END OF LOAD BALANCING =============== 1175.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1175.67 PRESSURE: 368400 -44.9775 -38.4641 -29.7806 -38.4642 -357.963 56.0689 -29.7808 56.069 -158.785 GPRESSURE: 368400 -12.8075 -47.2854 -60.8968 -13.9447 -342.193 40.7508 47.5494 -1.12159 -111.443 PRESSAVG: 368400 37.45 -3.04153 -14.5259 -3.04153 -50.348 -7.57639 -14.5259 -7.57636 -0.132567 GPRESSAVG: 368400 36.9894 -3.82684 -16.3577 -2.96459 -50.0108 -8.03596 -14.4098 -7.15777 0.377656 TIMING: 368400 CPU: 1163.45, 0.00320146/step Wall: 1163.45, 0.00320146/step, 4.11886 hours remaining, 234.644531 MB of memory in use. ENERGY: 368400 3992.9655 20529.8866 14469.6197 269.4926 -203266.4765 2606.2607 0.0000 0.0000 51883.3055 -109514.9459 298.1741 -161398.2514 -109148.1045 298.8219 -187.2419 -155.4812 762077.1069 -4.3435 -4.2146 PRESSURE: 368600 347.763 -321.151 -73.0506 -321.152 -94.4776 63.0823 -73.0505 63.0835 -184.085 GPRESSURE: 368600 361.89 -365.304 -78.0391 -251.879 -20.3862 62.2828 -127.826 78.3845 -190.36 PRESSAVG: 368600 35.7163 -82.673 -1.78317 -82.6729 -18.5383 12.1048 -1.78315 12.1049 15.7939 GPRESSAVG: 368600 35.5024 -80.1782 0.768721 -81.5511 -17.7341 12.7331 -2.5302 10.7537 15.2403 TIMING: 368600 CPU: 1164.08, 0.0031297/step Wall: 1164.08, 0.0031297/step, 4.02636 hours remaining, 234.644531 MB of memory in use. ENERGY: 368600 4006.4251 20646.1422 14489.2293 247.8435 -203406.8429 2677.3739 0.0000 0.0000 51938.0204 -109401.8085 298.4885 -161339.8289 -109051.5154 299.1602 23.0667 50.3811 762215.3754 10.9907 11.0028 PRESSURE: 368800 44.4015 -129.892 27.8421 -129.892 -17.8182 -97.7578 27.8413 -97.7592 -14.4814 GPRESSURE: 368800 50.2444 -176.621 0.31804 -120.448 112.628 -70.4046 -16.2534 -56.422 -82.4515 PRESSAVG: 368800 42.0549 -60.4247 -35.7798 -60.4246 -44.6013 -39.3833 -35.7799 -39.3832 -13.4329 GPRESSAVG: 368800 42.6835 -59.8673 -36.9542 -63.0402 -44.0362 -40.0089 -37.0594 -36.9747 -14.7491 TIMING: 368800 CPU: 1164.7, 0.00312928/step Wall: 1164.7, 0.00312928/step, 4.02565 hours remaining, 234.644531 MB of memory in use. ENERGY: 368800 3995.6850 20293.7739 14415.0796 288.5298 -203398.0290 2471.5044 0.0000 0.0000 52300.7455 -109632.7108 300.5731 -161933.4564 -109264.9389 298.6827 4.0340 26.8070 761408.1501 -5.3265 -5.3673 PRESSURE: 369000 220.641 -324.348 -228.978 -324.348 -580.498 -70.459 -228.979 -70.4598 389.254 GPRESSURE: 369000 361.582 -263.788 -226.025 -283.623 -558.536 -55.8019 -200.135 -39.5427 294.698 PRESSAVG: 369000 7.7876 -35.1963 6.32616 -35.1963 13.6194 -7.72337 6.32619 -7.72337 -9.02143 GPRESSAVG: 369000 7.815 -35.1019 5.8329 -33.7003 13.1868 -7.27508 8.31898 -8.69194 -8.15195 TIMING: 369000 CPU: 1165.34, 0.00318169/step Wall: 1165.34, 0.00318169/step, 4.09289 hours remaining, 234.644531 MB of memory in use. ENERGY: 369000 4046.1926 20502.9435 14443.8851 251.7468 -203396.0294 2543.3151 0.0000 0.0000 52012.5285 -109595.4178 298.9167 -161607.9463 -109221.8104 298.5461 9.7991 32.5816 762249.8887 4.1285 4.2833 PRESSURE: 369200 243.957 -301.207 -100.158 -301.207 409.622 -71.591 -100.158 -71.5909 73.759 GPRESSURE: 369200 263.207 -278.95 -153.826 -297.687 452.163 -6.59518 43.0085 -144.192 79.793 PRESSAVG: 369200 29.5558 -34.2367 -16.9749 -34.2367 -27.9418 -23.8219 -16.9749 -23.8219 11.7814 GPRESSAVG: 369200 28.3366 -31.7142 -15.8103 -36.6803 -27.5068 -22.0521 -17.6789 -26.014 11.9366 TIMING: 369200 CPU: 1165.97, 0.00316958/step Wall: 1165.97, 0.00316958/step, 4.07714 hours remaining, 234.644531 MB of memory in use. ENERGY: 369200 3854.3087 20652.0179 14480.6045 251.8689 -203647.9500 2669.0467 0.0000 0.0000 52120.2067 -109619.8966 299.5355 -161740.1033 -109261.1328 298.5811 242.4459 265.0545 761532.1465 4.4651 4.2555 PRESSURE: 369400 -269.556 -100.346 -8.63081 -100.346 38.1473 110.716 -8.63112 110.714 18.0377 GPRESSURE: 369400 -140.158 2.02589 42.5949 -18.0787 -51.9185 27.3078 14.6738 12.404 74.9723 PRESSAVG: 369400 6.21172 -29.5586 -48.427 -29.5586 8.34242 -43.8051 -48.427 -43.8051 4.7077 GPRESSAVG: 369400 7.36832 -31.542 -48.5431 -29.3271 7.06822 -45.6255 -47.3766 -42.6845 5.28701 TIMING: 369400 CPU: 1166.6, 0.00316005/step Wall: 1166.6, 0.00316005/step, 4.0647 hours remaining, 234.644531 MB of memory in use. ENERGY: 369400 3952.5061 20627.2734 14500.0921 234.2403 -203222.6044 2502.9208 0.0000 0.0000 51796.7598 -109608.8118 297.6767 -161405.5716 -109246.7280 298.6360 -71.1235 -39.0347 762517.6000 6.4206 6.5745 PRESSURE: 369600 -134.399 14.0322 3.44822 14.0321 -165.764 37.385 3.44785 37.3855 62.4975 GPRESSURE: 369600 -29.867 82.0754 -91.2266 35.6931 -139.734 25.8635 -10.016 40.5421 19.7344 PRESSAVG: 369600 41.2695 -48.3196 -51.4188 -48.3195 -77.5945 -2.95001 -51.4188 -2.94987 -10.6446 GPRESSAVG: 369600 40.7056 -48.2594 -51.7944 -48.2487 -76.9686 -3.42671 -53.5875 -1.47694 -10.6081 TIMING: 369600 CPU: 1167.23, 0.00314097/step Wall: 1167.23, 0.00314097/step, 4.03998 hours remaining, 234.644531 MB of memory in use. ENERGY: 369600 3953.0823 20554.2213 14466.4092 261.0441 -203438.2046 2681.7605 0.0000 0.0000 52040.7685 -109480.9187 299.0790 -161521.6872 -109113.4501 298.9577 -79.2219 -49.9556 761767.7992 -15.6565 -15.6237 PRESSURE: 369800 -176.623 104.913 84.5707 104.914 98.3615 -94.9683 84.5701 -94.968 50.2948 GPRESSURE: 369800 -139.752 82.8802 146.865 86.8232 130.054 -135.549 131.992 -180.624 67.6939 PRESSAVG: 369800 -16.1712 -9.39954 18.9657 -9.39949 -41.829 47.4648 18.9656 47.4648 10.1395 GPRESSAVG: 369800 -15.6453 -11.0759 19.9402 -8.68255 -43.5576 46.6133 21.3611 49.585 11.4542 TIMING: 369800 CPU: 1167.86, 0.00315312/step Wall: 1167.86, 0.00315312/step, 4.05544 hours remaining, 234.644531 MB of memory in use. ENERGY: 369800 4038.1884 20626.9415 14365.6080 235.7643 -203355.7707 2740.7147 0.0000 0.0000 52119.0747 -109229.4792 299.5290 -161348.5539 -108863.0660 299.6484 -9.3224 19.3322 761708.0868 -15.9536 -15.9163 PRESSURE: 370000 -237.392 44.557 -163.658 44.5571 -159.895 -74.4797 -163.657 -74.4797 -348.859 GPRESSURE: 370000 -156.029 37.6706 -170.633 -52.7357 -73.3218 -54.8681 -72.9027 10.6626 -437.201 PRESSAVG: 370000 27.8593 93.9719 4.59985 93.9719 1.14703 -25.3282 4.59986 -25.3281 13.4346 GPRESSAVG: 370000 28.1143 94.7718 4.22911 94.147 2.58244 -24.3988 2.6324 -26.1844 11.6926 TIMING: 370000 CPU: 1168.49, 0.00314048/step Wall: 1168.49, 0.00314048/step, 4.039 hours remaining, 234.644531 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: 370000 4095.8888 20541.8116 14459.8302 245.8973 -203092.8117 2469.9771 0.0000 0.0000 52023.8684 -109255.5383 298.9819 -161279.4067 -108888.2140 299.7647 -248.7150 -222.1838 763757.1398 14.1470 14.1298 PRESSURE: 370200 -17.5954 -97.4888 -260.299 -97.4895 -316.112 -39.4941 -260.299 -39.4931 -218.834 GPRESSURE: 370200 34.5894 -51.5586 -323.381 -10.116 -325.412 38.7104 -239.896 -192.708 -166.221 PRESSAVG: 370200 40.3554 38.7831 -114.065 38.7832 -24.88 30.8276 -114.065 30.8277 0.790644 GPRESSAVG: 370200 40.4318 36.7614 -114.135 39.9466 -25.5093 30.481 -112.653 30.1353 0.832488 TIMING: 370200 CPU: 1169.12, 0.0031596/step Wall: 1169.12, 0.0031596/step, 4.06342 hours remaining, 234.644531 MB of memory in use. ENERGY: 370200 3915.7284 20636.5869 14414.6089 240.2527 -203429.2969 2495.6400 0.0000 0.0000 52303.6907 -109422.7893 300.5900 -161726.4800 -109054.9175 300.0106 -184.1805 -152.3480 762257.0846 5.4220 5.2517 PRESSURE: 370400 134.803 19.7978 102.482 19.7971 -364.994 57.5113 102.482 57.5117 -228.742 GPRESSURE: 370400 161.421 52.8448 164.057 -76.3227 -361.856 141.589 100.489 -37.4528 -198.546 PRESSAVG: 370400 35.6846 -14.1428 -50.2531 -14.1428 -16.6584 -1.0033 -50.2531 -1.00329 -10.099 GPRESSAVG: 370400 35.7016 -13.0013 -48.5952 -14.0697 -17.064 -1.92734 -50.9533 0.415912 -9.71834 TIMING: 370400 CPU: 1169.76, 0.00316525/step Wall: 1169.76, 0.00316525/step, 4.07051 hours remaining, 234.644531 MB of memory in use. ENERGY: 370400 4061.5384 20478.8234 14446.7792 235.0526 -203467.4929 2597.0654 0.0000 0.0000 52066.8519 -109581.3820 299.2289 -161648.2339 -109219.4751 299.0392 -152.9777 -132.9936 761560.0876 2.9758 2.9731 PRESSURE: 370600 47.8241 -93.5961 150.274 -93.5967 -239.565 -38.093 150.274 -38.0944 -139.947 GPRESSURE: 370600 60.2574 88.4803 84.9528 -158.919 -190.353 -83.918 60.1977 -53.3709 -118.27 PRESSAVG: 370600 6.09479 -16.2217 -14.0278 -16.2217 -39.7866 -26.8993 -14.0278 -26.8993 -20.6841 GPRESSAVG: 370600 5.86529 -15.4441 -15.9123 -18.4126 -39.5962 -25.9036 -13.8246 -29.4132 -20.5766 TIMING: 370600 CPU: 1170.39, 0.00315659/step Wall: 1170.39, 0.00315659/step, 4.0592 hours remaining, 234.644531 MB of memory in use. ENERGY: 370600 3999.2622 20501.2551 14424.5240 266.6352 -202967.6688 2165.1652 0.0000 0.0000 52138.1546 -109472.6725 299.6387 -161610.8271 -109110.0372 299.2078 -110.5628 -82.7887 759850.3499 -18.1253 -18.1025 PRESSURE: 370800 194.647 92.6123 181.953 92.612 -57.4238 -52.6398 181.954 -52.64 -87.1401 GPRESSURE: 370800 239.137 -43.8558 134.123 173.339 -16.7026 -26.5701 74.2231 -62.0175 -83.2844 PRESSAVG: 370800 28.4403 34.2065 -34.9067 34.2066 -28.146 -32.4035 -34.9067 -32.4036 12.0143 GPRESSAVG: 370800 28.1568 33.916 -34.9668 35.4662 -28.0563 -31.5165 -37.2905 -32.4094 12.4515 TIMING: 370800 CPU: 1171.02, 0.00314389/step Wall: 1171.02, 0.00314389/step, 4.04269 hours remaining, 234.644531 MB of memory in use. ENERGY: 370800 3966.5639 20532.2549 14422.1014 251.8572 -203425.7932 2758.2839 0.0000 0.0000 51859.5663 -109635.1657 298.0376 -161494.7320 -109267.2880 298.6373 16.6942 46.3834 761005.2357 4.1029 4.1840 PRESSURE: 371000 -159.427 38.129 -111.195 38.1286 52.151 74.8948 -111.195 74.8967 55.6866 GPRESSURE: 371000 -55.0045 64.7862 -226.075 -22.5104 114.335 -27.0703 -81.3723 -1.50505 -14.5815 PRESSAVG: 371000 77.4853 -47.737 -56.5926 -47.737 -62.5913 44.1655 -56.5925 44.1655 -6.88815 GPRESSAVG: 371000 77.3198 -46.914 -55.5779 -49.6746 -61.4863 43.6547 -55.7258 43.7591 -7.91424 TIMING: 371000 CPU: 1171.65, 0.00315272/step Wall: 1171.65, 0.00315272/step, 4.05387 hours remaining, 234.644531 MB of memory in use. ENERGY: 371000 4032.1422 20442.9351 14406.0510 253.9171 -203450.2849 2818.8113 0.0000 0.0000 51759.3940 -109737.0342 297.4619 -161496.4281 -109375.9629 298.5651 -17.1964 14.9163 761797.2151 2.6686 2.6398 PRESSURE: 371200 93.2158 -277.308 -234.906 -277.308 80.9431 80.1285 -234.906 80.1283 3.07104 GPRESSURE: 371200 110.456 -250.499 -205.925 -147.993 94.6072 101.526 -285.139 37.4196 75.0848 PRESSAVG: 371200 -9.46838 -31.8326 -40.0936 -31.8326 -7.81807 10.8179 -40.0936 10.8179 22.8107 GPRESSAVG: 371200 -8.89889 -30.3878 -41.5726 -30.5009 -9.46604 10.6872 -39.5729 12.0119 24.0571 TIMING: 371200 CPU: 1172.28, 0.00315101/step Wall: 1172.28, 0.00315101/step, 4.05149 hours remaining, 234.644531 MB of memory in use. ENERGY: 371200 3937.6850 20183.9806 14501.7424 252.9334 -203568.7040 2856.3871 0.0000 0.0000 52040.2932 -109795.6823 299.0763 -161835.9755 -109426.8583 298.1240 59.0766 93.3827 761454.3397 1.8414 1.8974 PRESSURE: 371400 116.124 172.161 38.6885 172.161 4.213 -263.582 38.6891 -263.583 305.373 GPRESSURE: 371400 124.912 176.045 26.3562 83.8718 70.6607 -243.324 141.234 -276.766 311.393 PRESSAVG: 371400 3.34239 -0.026398 -48.5043 -0.0263987 -15.9693 -59.041 -48.5043 -59.0411 12.1787 GPRESSAVG: 371400 3.2709 -2.20657 -49.2842 -2.02743 -16.0502 -58.4023 -45.342 -61.0531 12.5862 TIMING: 371400 CPU: 1172.91, 0.00314978/step Wall: 1172.91, 0.00314978/step, 4.04974 hours remaining, 234.644531 MB of memory in use. ENERGY: 371400 4025.2595 20510.6932 14455.3131 239.8808 -203498.0207 2738.6836 0.0000 0.0000 51835.3242 -109692.8664 297.8983 -161528.1905 -109335.9550 298.1075 141.9036 168.9886 760424.9944 -0.1494 -0.0644 PRESSURE: 371600 -458.368 102.065 11.7568 102.065 -169.024 -105.251 11.7566 -105.251 -387.77 GPRESSURE: 371600 -340.243 66.2083 -0.583277 1.51992 -163.924 -90.6651 -15.4575 -39.7003 -435.171 PRESSAVG: 371600 -18.1347 30.0518 -5.54905 30.0519 0.0665039 -20.7756 -5.54914 -20.7757 12.5647 GPRESSAVG: 371600 -17.87 30.2837 -4.17791 32.977 1.68678 -21.8609 -7.06647 -19.2082 10.8515 TIMING: 371600 CPU: 1173.54, 0.0031702/step Wall: 1173.54, 0.0031702/step, 4.07583 hours remaining, 234.644531 MB of memory in use. ENERGY: 371600 4036.6689 20396.4630 14447.3246 233.5439 -202923.7564 2297.5204 0.0000 0.0000 51934.2499 -109577.9857 298.4668 -161512.2356 -109220.0968 298.4836 -338.3873 -313.1125 761674.7282 -1.8345 -1.7773 PRESSURE: 371800 -108.744 -61.2427 236.756 -61.2434 -248.898 -101.986 236.756 -101.986 115.036 GPRESSURE: 371800 -174.608 -62.1414 198.444 50.4504 -161.33 -53.3906 140.478 -10.1367 177.519 PRESSAVG: 371800 39.9139 -22.2982 -2.8708 -22.2982 -62.7297 39.1094 -2.8708 39.1094 -12.0387 GPRESSAVG: 371800 38.6332 -21.9594 -5.10701 -23.2524 -62.5098 40.0176 -3.20806 39.8275 -10.406 TIMING: 371800 CPU: 1174.17, 0.00316562/step Wall: 1174.17, 0.00316562/step, 4.06976 hours remaining, 234.644531 MB of memory in use. ENERGY: 371800 4022.2625 20400.3190 14458.5596 249.4190 -203274.0505 2518.7904 0.0000 0.0000 52017.1862 -109607.5138 298.9435 -161624.7000 -109242.9910 298.7099 -80.8690 -52.8064 761483.8828 -11.6182 -11.4276 PRESSURE: 372000 284.045 112.575 -168.677 112.575 -199.941 238.018 -168.677 238.018 204.368 GPRESSURE: 372000 312.518 166.445 -233.429 153.943 -191.328 180.547 -196.759 235.05 240.641 PRESSAVG: 372000 36.4547 19.8339 37.8342 19.8339 0.173926 28.1188 37.8343 28.1188 28.7331 GPRESSAVG: 372000 37.9302 19.2161 40.1649 19.7137 -0.301449 28.825 36.8584 26.9659 27.3477 TIMING: 372000 CPU: 1174.8, 0.00315463/step Wall: 1174.8, 0.00315463/step, 4.05545 hours remaining, 234.644531 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: 372000 3984.5163 20366.7716 14420.1660 242.9304 -202985.8187 2493.0774 0.0000 0.0000 52156.9944 -109321.3628 299.7470 -161478.3571 -108939.6046 299.1705 96.1574 120.6103 761804.5933 21.7873 21.6588 PRESSURE: 372200 246.798 133.071 -152.636 133.071 -136.147 98.0416 -152.635 98.0424 -5.54747 GPRESSURE: 372200 282.063 118.974 -175.116 101.227 -132.927 169.738 -104.88 167.236 44.1583 PRESSAVG: 372200 25.0833 -13.3479 -1.15404 -13.3479 -55.9061 39.6742 -1.15407 39.6741 -1.58454 GPRESSAVG: 372200 24.7466 -13.8027 -2.21346 -11.7987 -55.7098 37.3899 0.823715 42.7255 -1.21129 TIMING: 372200 CPU: 1175.44, 0.00316089/step Wall: 1175.44, 0.00316089/step, 4.06332 hours remaining, 234.644531 MB of memory in use. ENERGY: 372200 3966.9160 20362.4465 14453.0069 241.9900 -203002.6469 2551.4668 0.0000 0.0000 51926.5658 -109500.2549 298.4227 -161426.8207 -109144.9976 299.4817 35.0344 64.4315 761827.7511 -10.8025 -10.7248 LDB: ============= START OF LOAD BALANCING ============== 1187.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1187.97 LDB: =============== DONE WITH MIGRATION ================ 1187.97 LDB: ============= START OF LOAD BALANCING ============== 1188.29 LDB: Largest compute 7042 load 0.031430 is 16.1% of average load 0.195055 LDB: Average compute 0.004394 is 2.3% of average load 0.195055 LDB: TIME 1188.29 LOAD: AVG 0.195055 MAX 0.215174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.703 MB LDB: TIME 1188.29 LOAD: AVG 0.195055 MAX 0.215174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: TIME 1188.29 LOAD: AVG 0.195055 MAX 0.215174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.703 MB LDB: ============== END OF LOAD BALANCING =============== 1188.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1188.3 PRESSURE: 372400 -9.81963 40.9176 55.6653 40.9168 -258.54 -307.508 55.6651 -307.51 63.8374 GPRESSURE: 372400 51.7785 78.7365 132.169 30.5852 -169.088 -317.552 -43.425 -151.505 20.9449 PRESSAVG: 372400 24.4265 0.97555 -3.39232 0.975496 -58.9159 -21.7161 -3.39235 -21.7161 -18.2674 GPRESSAVG: 372400 24.1632 1.60684 -2.4032 -0.647392 -58.3167 -22.947 -4.95908 -21.1 -18.3996 TIMING: 372400 CPU: 1176.08, 0.00323444/step Wall: 1176.08, 0.00323444/step, 4.1577 hours remaining, 232.808594 MB of memory in use. ENERGY: 372400 3980.0345 20353.6831 14364.9528 241.0591 -203168.2117 2441.9787 0.0000 0.0000 52076.6036 -109709.8999 299.2850 -161786.5036 -109346.2285 298.6486 -68.1741 -32.1217 762421.1217 -17.5856 -17.5177 PRESSURE: 372600 55.3536 -159.323 60.5781 -159.324 145.373 5.77736 60.5768 5.77724 -51.4077 GPRESSURE: 372600 129.269 -164.453 33.9993 -84.0247 238.173 -81.1796 71.6053 90.878 -127.494 PRESSAVG: 372600 28.0523 34.8777 -16.1933 34.8776 6.17933 32.7142 -16.1932 32.7143 3.41045 GPRESSAVG: 372600 28.2211 33.6403 -17.4161 35.3189 5.64371 33.0467 -17.6849 29.3549 3.85763 TIMING: 372600 CPU: 1176.71, 0.00314616/step Wall: 1176.71, 0.00314616/step, 4.04404 hours remaining, 233.011719 MB of memory in use. ENERGY: 372600 3951.2771 20513.1690 14459.4617 235.9626 -203310.5160 2627.4472 0.0000 0.0000 52024.0584 -109499.1400 298.9830 -161523.1984 -109142.7634 298.6406 49.7731 79.9825 762153.6196 12.5474 12.5742 PRESSURE: 372800 119.344 46.4616 -52.9982 46.4619 -300.638 18.0932 -52.9985 18.0931 83.6637 GPRESSURE: 372800 164.198 97.0422 -73.7056 34.0484 -213.285 -24.1774 -129.52 -67.2102 29.4939 PRESSAVG: 372800 1.19626 -31.209 -57.2931 -31.209 -6.10566 -35.5262 -57.2931 -35.5263 -6.01687 GPRESSAVG: 372800 -0.00649959 -30.1465 -56.2257 -31.3454 -5.32711 -33.4778 -55.8339 -36.2371 -5.99388 TIMING: 372800 CPU: 1177.35, 0.00316923/step Wall: 1177.35, 0.00316923/step, 4.07352 hours remaining, 233.011719 MB of memory in use. ENERGY: 372800 3944.4527 20439.0106 14349.4056 237.9343 -203064.2295 2463.1040 0.0000 0.0000 52011.1258 -109619.1964 298.9087 -161630.3222 -109258.5322 298.7329 -32.5433 -6.5309 761631.7035 -3.6421 -3.7758 PRESSURE: 373000 133.279 -190.138 26.9269 -190.137 -250.538 -83.3147 26.9274 -83.3149 144.244 GPRESSURE: 373000 209.36 -98.9069 9.64569 -122.657 -225.11 -54.8972 79.7623 -21.756 125.535 PRESSAVG: 373000 6.49157 -20.669 -37.0024 -20.669 -36.2832 -9.66475 -37.0025 -9.66472 -3.641 GPRESSAVG: 373000 7.29264 -20.9197 -38.9521 -21.0306 -37.257 -9.51492 -36.1073 -8.01198 -3.21869 TIMING: 373000 CPU: 1177.98, 0.00316724/step Wall: 1177.98, 0.00316724/step, 4.07079 hours remaining, 233.214844 MB of memory in use. ENERGY: 373000 3947.3275 20526.6644 14411.4846 219.0602 -203325.2292 2654.2696 0.0000 0.0000 52089.5917 -109476.8311 299.3596 -161566.4228 -109112.2171 298.7129 8.9952 36.5946 762828.1312 -11.1442 -11.0610 PRESSURE: 373200 144.491 12.233 -55.4743 12.2336 148.814 -186.973 -55.475 -186.974 104.084 GPRESSURE: 373200 108.455 -6.78475 -51.4863 54.6905 165.437 -101.973 44.6184 -242.564 222.625 PRESSAVG: 373200 20.2067 -56.2037 -2.11106 -56.2037 -79.2119 -77.7651 -2.11105 -77.7651 -5.6085 GPRESSAVG: 373200 20.0547 -54.9996 -0.270392 -56.208 -79.4953 -77.9037 -1.34315 -77.5565 -5.10901 TIMING: 373200 CPU: 1178.61, 0.00316423/step Wall: 1178.61, 0.00316423/step, 4.06674 hours remaining, 233.214844 MB of memory in use. ENERGY: 373200 3874.1158 20581.7568 14387.4328 225.0195 -203073.0833 2505.8542 0.0000 0.0000 52007.0779 -109491.8263 298.8854 -161498.9041 -109137.1979 298.8329 132.4630 165.5057 760685.7754 -21.5379 -21.5165 PRESSURE: 373400 81.1918 161.15 -90.5002 161.15 376.994 6.64086 -90.5006 6.6414 -235.556 GPRESSURE: 373400 55.4255 36.674 -230.341 241.66 333.348 1.29178 36.3444 47.6412 -59.7202 PRESSAVG: 373400 -22.9653 20.5132 -36.8989 20.5132 -1.84248 3.89079 -36.8989 3.89073 -0.810392 GPRESSAVG: 373400 -22.3053 18.5101 -37.7545 22.278 -2.28508 3.55266 -37.9502 2.55692 -1.04608 TIMING: 373400 CPU: 1179.24, 0.0031589/step Wall: 1179.24, 0.0031589/step, 4.05971 hours remaining, 233.214844 MB of memory in use. ENERGY: 373400 3958.8672 20307.6426 14455.3716 260.6926 -203215.0176 2562.7653 0.0000 0.0000 52155.8150 -109513.8634 299.7402 -161669.6783 -109145.6600 298.7948 74.2098 109.6844 761193.8491 -8.5394 -8.5455 PRESSURE: 373600 -99.879 -86.371 -101.009 -86.3702 -221.321 164.932 -101.007 164.934 -256.626 GPRESSURE: 373600 -79.2716 -80.7906 -13.3047 -112.764 -213.111 104.973 -185.194 234.982 -213.966 PRESSAVG: 373600 41.9158 -1.9345 -29.5537 -1.93453 -66.8145 -38.1097 -29.5537 -38.1097 4.39175 GPRESSAVG: 373600 41.9025 -0.895204 -29.4016 -3.82816 -67.1756 -38.7184 -28.9978 -37.3156 4.26162 TIMING: 373600 CPU: 1179.88, 0.00316437/step Wall: 1179.88, 0.00316437/step, 4.06656 hours remaining, 233.214844 MB of memory in use. ENERGY: 373600 4025.7901 20451.2433 14422.0467 243.9835 -202897.7757 2335.9732 0.0000 0.0000 51959.8299 -109458.9089 298.6139 -161418.7388 -109109.3262 298.9291 -192.6086 -168.7827 761285.1599 -6.8356 -7.0038 PRESSURE: 373800 50.665 149.462 -103.916 149.463 14.3317 -365.433 -103.916 -365.433 -113.162 GPRESSURE: 373800 10.0219 71.9203 -148.462 153.689 181.738 -381.217 -128.436 -195.427 -159.635 PRESSAVG: 373800 56.7949 -11.0574 -54.1695 -11.0573 4.35803 -20.7824 -54.1695 -20.7824 -16.1474 GPRESSAVG: 373800 56.455 -9.48652 -53.0082 -10.8224 5.43109 -21.1003 -55.964 -21.9354 -17.2249 TIMING: 373800 CPU: 1180.52, 0.00318993/step Wall: 1180.52, 0.00318993/step, 4.09924 hours remaining, 233.214844 MB of memory in use. ENERGY: 373800 3980.9515 20468.7071 14406.5508 248.1189 -203057.5135 2463.4973 0.0000 0.0000 52042.7286 -109446.9592 299.0903 -161489.6879 -109089.5261 298.5057 -16.0552 10.7084 760936.8409 15.0018 14.8871 PRESSURE: 374000 97.0739 44.4995 -5.38703 44.4997 -20.3764 -0.381949 -5.38776 -0.382623 490.504 GPRESSURE: 374000 136.793 -40.2405 10.1426 -48.6965 1.20407 47.9109 1.09902 40.1785 520.588 PRESSAVG: 374000 76.5958 10.6463 -39.3962 10.6462 -92.3316 20.7683 -39.3962 20.7683 -1.24949 GPRESSAVG: 374000 77.432 10.1682 -39.8986 9.88001 -93.4319 22.1272 -38.5299 22.5407 -1.37795 TIMING: 374000 CPU: 1181.15, 0.00317189/step Wall: 1181.15, 0.00317189/step, 4.07588 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: 374000 4008.4562 20427.7759 14389.1772 251.2189 -203303.3274 2823.4552 0.0000 0.0000 52108.0672 -109295.1767 299.4658 -161403.2439 -108929.1027 299.2724 189.0670 219.5282 760327.6785 -5.6618 -5.7926 PRESSURE: 374200 169.644 -94.9813 -14.5225 -94.9811 100.284 -65.6139 -14.5227 -65.6129 165.643 GPRESSURE: 374200 182.351 -92.7613 -77.9677 -124.622 170.849 -74.8348 131.367 34.7792 183.938 PRESSAVG: 374200 97.6192 -19.4293 -2.71105 -19.4293 -72.3935 7.2988 -2.71111 7.29875 6.92345 GPRESSAVG: 374200 95.8896 -18.9675 -2.78164 -20.919 -71.195 5.73627 -1.30671 7.71257 7.883 TIMING: 374200 CPU: 1181.78, 0.00315465/step Wall: 1181.78, 0.00315465/step, 4.05356 hours remaining, 233.203125 MB of memory in use. ENERGY: 374200 3994.6242 20480.1668 14390.3637 229.0818 -203111.5545 2599.8939 0.0000 0.0000 52101.8031 -109315.6209 299.4298 -161417.4240 -108948.6315 299.6307 145.1903 179.0460 760426.1956 10.7164 10.8592 PRESSURE: 374400 -45.4209 170.787 -351.609 170.786 -54.9482 42.8382 -351.609 42.8384 158.195 GPRESSURE: 374400 -6.51413 98.1795 -321.746 61.6032 30.3593 80.8331 -306.981 68.0123 122.642 PRESSAVG: 374400 27.1402 47.4622 -43.0132 47.4622 -27.7145 -25.4695 -43.0132 -25.4695 34.5257 GPRESSAVG: 374400 26.8536 46.068 -42.6948 49.1363 -28.227 -24.6289 -43.0369 -25.4855 35.2277 TIMING: 374400 CPU: 1182.41, 0.00316237/step Wall: 1182.41, 0.00316237/step, 4.06329 hours remaining, 233.214844 MB of memory in use. ENERGY: 374400 4019.9105 20439.8390 14442.7838 244.6571 -202808.5157 2255.6435 0.0000 0.0000 52189.2583 -109216.4233 299.9324 -161405.6816 -108853.5617 299.6586 19.2752 48.8290 760259.1365 11.3172 11.2848 PRESSURE: 374600 108.753 -268.448 -392.466 -268.448 -193.044 -244.063 -392.466 -244.062 98.3708 GPRESSURE: 374600 178.068 -190.871 -372.95 -46.2016 -85.4224 -197.93 -330.402 -259.026 19.9904 PRESSAVG: 374600 48.2841 -10.1197 -28.8697 -10.1197 -5.21961 56.865 -28.8696 56.865 0.454037 GPRESSAVG: 374600 47.7707 -9.6415 -29.3988 -7.93642 -4.36739 56.8858 -30.4503 56.1677 0.0028304 TIMING: 374600 CPU: 1183.05, 0.00319578/step Wall: 1183.05, 0.00319578/step, 4.10605 hours remaining, 233.214844 MB of memory in use. ENERGY: 374600 4013.9162 20572.4006 14416.1221 251.6430 -203276.6418 2833.9501 0.0000 0.0000 52043.0222 -109145.5876 299.0920 -161188.6098 -108786.3741 299.9795 4.6933 37.5453 760028.7642 14.5062 14.4687 PRESSURE: 374800 -155.085 52.7524 121.335 52.7512 8.53671 138.591 121.335 138.591 47.0115 GPRESSURE: 374800 -120.24 -67.3472 186.534 -80.1072 66.562 116.486 93.6667 59.2412 42.7431 PRESSAVG: 374800 32.5164 17.4074 8.87113 17.4074 -14.4833 5.12966 8.8711 5.12966 -2.63391 GPRESSAVG: 374800 33.0866 16.3066 8.23091 15.288 -14.5467 3.54747 9.33278 5.82 -2.47238 TIMING: 374800 CPU: 1183.69, 0.00317342/step Wall: 1183.69, 0.00317342/step, 4.07714 hours remaining, 233.214844 MB of memory in use. ENERGY: 374800 3954.0814 20396.3113 14429.8945 225.5577 -202903.9866 2436.1971 0.0000 0.0000 52325.1091 -109136.8355 300.7131 -161461.9446 -108772.0466 299.6995 -33.1789 -3.6449 763147.6392 5.1331 5.3558 PRESSURE: 375000 -64.106 -2.89397 100.212 -2.8935 54.5998 -140.234 100.213 -140.234 -39.6192 GPRESSURE: 375000 44.4702 -27.8536 48.3962 -37.0357 -2.85025 -177.289 186.985 -31.1973 -11.0154 PRESSAVG: 375000 -2.05978 -39.0472 63.1575 -39.0473 -15.8132 -16.4652 63.1575 -16.4651 19.879 GPRESSAVG: 375000 -1.29482 -39.2198 64.5051 -38.1726 -16.2649 -15.9544 61.848 -17.105 19.5955 TIMING: 375000 CPU: 1184.32, 0.00317184/step Wall: 1184.32, 0.00317184/step, 4.07493 hours remaining, 233.214844 MB of memory in use. ENERGY: 375000 4003.7383 20614.1532 14336.8914 247.7066 -203068.1741 2672.1289 0.0000 0.0000 52080.8108 -109112.7449 299.3091 -161193.5557 -108755.4742 299.4568 -16.3752 10.2015 760914.4302 0.6687 0.6786 PRESSURE: 375200 -2.22061 39.3276 31.444 39.3281 112.893 63.191 31.4434 63.1903 -246.742 GPRESSURE: 375200 100.134 -58.8986 123.79 46.7289 17.4945 16.6151 152.261 -10.4195 -162.053 PRESSAVG: 375200 13.84 -68.5855 53.7869 -68.5855 -27.9418 -1.44569 53.7869 -1.44566 15.5633 GPRESSAVG: 375200 12.9672 -69.8657 53.2245 -70.2378 -28.453 -0.185288 55.0093 -2.62083 17.2375 TIMING: 375200 CPU: 1184.96, 0.00318563/step Wall: 1184.96, 0.00318563/step, 4.09247 hours remaining, 233.214844 MB of memory in use. ENERGY: 375200 4088.3863 20467.6532 14396.7732 234.2785 -203008.2719 2564.3357 0.0000 0.0000 52272.2198 -108984.6252 300.4092 -161256.8450 -108616.0873 300.0045 -45.3562 -14.8082 762568.6881 0.4872 0.5839 PRESSURE: 375400 77.4601 19.0398 -181.376 19.0395 246.172 106.694 -181.375 106.695 -156.641 GPRESSURE: 375400 162.042 -28.2644 -178.143 45.9292 258.058 193.91 -255.968 56.2042 -162.58 PRESSAVG: 375400 27.1036 -62.0731 -34.6558 -62.0731 -66.0807 -7.61381 -34.6558 -7.61383 19.3318 GPRESSAVG: 375400 27.8583 -62.9386 -33.5873 -60.479 -65.3295 -6.17769 -35.0557 -9.17155 17.7949 TIMING: 375400 CPU: 1185.59, 0.00316204/step Wall: 1185.59, 0.00316204/step, 4.062 hours remaining, 233.214844 MB of memory in use. ENERGY: 375400 4009.3345 20470.9811 14464.8689 225.9605 -203297.9399 2776.2104 0.0000 0.0000 52094.9896 -109255.5950 299.3906 -161350.5845 -108896.3205 299.1894 55.6637 85.8402 762680.8688 -6.5485 -6.5588 PRESSURE: 375600 148.562 -174.896 -94.2788 -174.896 44.5818 -157.047 -94.2799 -157.048 175.397 GPRESSURE: 375600 199.308 -115.974 -99.6043 -113.148 107.449 -87.9531 -127.753 -146.454 174.734 PRESSAVG: 375600 65.6758 -13.1726 -17.9631 -13.1725 -65.3592 0.348666 -17.9632 0.348709 -1.1028 GPRESSAVG: 375600 65.335 -11.8448 -19.744 -14.2275 -66.4031 -1.31091 -16.5345 2.48008 0.259706 TIMING: 375600 CPU: 1186.23, 0.00318021/step Wall: 1186.23, 0.00318021/step, 4.08516 hours remaining, 233.214844 MB of memory in use. ENERGY: 375600 3966.8803 20502.1721 14350.4818 259.0253 -203256.3669 2749.3923 0.0000 0.0000 52080.7505 -109347.6645 299.3088 -161428.4151 -108994.9918 299.6341 122.8469 160.4972 763143.4457 -0.2621 -0.2695 PRESSURE: 375800 136.305 123.58 -147.491 123.58 -261.467 353.532 -147.491 353.532 -299.962 GPRESSURE: 375800 118.317 95.1136 -84.4641 58.0615 -186.631 287.054 -227.3 278.623 -264.829 PRESSAVG: 375800 48.5696 -7.90039 2.23472 -7.90038 -27.0947 6.28306 2.23469 6.28308 16.1603 GPRESSAVG: 375800 48.1566 -7.16339 2.66321 -5.11876 -24.9895 6.22692 1.48757 7.81984 14.4824 TIMING: 375800 CPU: 1186.86, 0.00316221/step Wall: 1186.86, 0.00316221/step, 4.06186 hours remaining, 233.214844 MB of memory in use. ENERGY: 375800 4081.6106 20489.6187 14329.4956 264.6210 -203223.3393 2541.7163 0.0000 0.0000 52274.9981 -109241.2790 300.4251 -161516.2771 -108873.3380 299.1423 -141.7080 -111.0478 764883.8716 12.5451 12.5498 PRESSURE: 376000 -79.7397 145.861 -30.4572 145.862 -226.852 -136.983 -30.4565 -136.981 -83.0184 GPRESSURE: 376000 5.99 106.403 45.4047 104.275 -195.051 -130.688 -7.51563 -21.7668 -107.311 PRESSAVG: 376000 117.945 34.187 -51.6809 34.1869 -70.8939 40.261 -51.6809 40.261 -12.8303 GPRESSAVG: 376000 118.959 32.186 -52.0038 32.5701 -71.582 40.6979 -52.6 39.0059 -13.3705 TIMING: 376000 CPU: 1187.49, 0.00314509/step Wall: 1187.49, 0.00314509/step, 4.0397 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: 376000 4044.6976 20616.3837 14418.4410 262.7469 -203360.4951 2427.4197 0.0000 0.0000 52210.9325 -109379.8737 300.0569 -161590.8062 -109008.5782 299.8397 -129.8700 -98.7905 761349.7525 11.4068 11.3354 PRESSURE: 376200 -250.314 -105.892 33.977 -105.892 58.8823 -65.0308 33.9774 -65.0316 -292.029 GPRESSURE: 376200 -239.799 -174.181 4.76298 -83.8656 130.307 -66.6853 -13.6473 -43.6528 -283.53 PRESSAVG: 376200 -0.696306 -29.5738 61.9762 -29.5737 -29.8602 43.7497 61.9763 43.7497 -10.0794 GPRESSAVG: 376200 -0.291178 -29.2234 62.6775 -29.3536 -30.3794 44.6406 63.2676 43.3179 -9.5808 TIMING: 376200 CPU: 1188.12, 0.00315021/step Wall: 1188.12, 0.00315021/step, 4.04609 hours remaining, 233.203125 MB of memory in use. ENERGY: 376200 3979.5730 20593.3589 14414.8477 244.2262 -203369.9986 2599.7528 0.0000 0.0000 52107.6405 -109430.5995 299.4633 -161538.2400 -109068.8668 299.4421 -161.1537 -131.0071 761426.3488 -13.5453 -13.4171 LDB: ============= START OF LOAD BALANCING ============== 1200.65 LDB: ============== END OF LOAD BALANCING =============== 1200.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1200.65 LDB: ============= START OF LOAD BALANCING ============== 1200.97 LDB: Largest compute 7053 load 0.029838 is 15.3% of average load 0.195047 LDB: Average compute 0.004383 is 2.2% of average load 0.195047 LDB: TIME 1200.97 LOAD: AVG 0.195047 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.551 MB LDB: TIME 1200.98 LOAD: AVG 0.195047 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: TIME 1200.98 LOAD: AVG 0.195047 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: ============== END OF LOAD BALANCING =============== 1200.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1200.98 PRESSURE: 376400 -43.1649 -25.39 204.901 -25.3897 -259.29 213.197 204.901 213.197 -29.2678 GPRESSURE: 376400 -38.8256 -48.8213 166.618 28.5795 -251.256 106.391 207.46 193.542 43.5372 PRESSAVG: 376400 10.9385 13.4917 29.6501 13.4917 -3.92397 6.28278 29.65 6.28276 13.931 GPRESSAVG: 376400 11.08 15.6331 29.9577 11.8409 -4.13309 4.66553 28.1679 6.12492 14.1034 TIMING: 376400 CPU: 1188.77, 0.00323264/step Wall: 1188.77, 0.00323264/step, 4.15178 hours remaining, 232.332031 MB of memory in use. ENERGY: 376400 4059.6844 20557.8621 14378.3218 245.3272 -203303.5318 2522.6200 0.0000 0.0000 52032.5680 -109507.1482 299.0319 -161539.7162 -109139.3678 298.9611 -110.5743 -82.1813 761549.8360 6.9818 7.0168 PRESSURE: 376600 298.515 -108.111 113.094 -108.111 -58.0239 21.888 113.094 21.8871 335.203 GPRESSURE: 376600 282.4 -163.612 53.4451 -138.199 26.6081 47.5971 80.4383 9.57698 342.864 PRESSAVG: 376600 54.724 -8.67964 52.7632 -8.67959 -23.3078 2.59766 52.7632 2.59753 6.65378 GPRESSAVG: 376600 54.8076 -10.0693 53.2714 -5.3074 -22.9176 2.33892 53.5675 1.94545 6.21108 TIMING: 376600 CPU: 1189.4, 0.00317802/step Wall: 1189.4, 0.00317802/step, 4.08146 hours remaining, 232.398438 MB of memory in use. ENERGY: 376600 4060.9265 20644.6607 14393.3598 255.9856 -203692.1618 2871.7599 0.0000 0.0000 51980.8520 -109484.6172 298.7347 -161465.4692 -109123.3827 299.3650 191.8980 217.2909 761384.9643 12.6900 12.7004 PRESSURE: 376800 -234.925 -31.1596 14.4243 -31.1589 -237.134 -57.4109 14.4247 -57.4121 -78.575 GPRESSURE: 376800 -220.246 -65.5751 63.5395 -50.5507 -182.743 -52.4262 57.9985 84.4264 -52.6968 PRESSAVG: 376800 53.3934 8.84498 44.1745 8.84498 -15.2173 3.40089 44.1745 3.40086 -6.49836 GPRESSAVG: 376800 51.8726 10.2126 43.4641 7.29334 -14.5033 4.02014 44.7753 4.85039 -5.89926 TIMING: 376800 CPU: 1190.04, 0.0031771/step Wall: 1190.04, 0.0031771/step, 4.0801 hours remaining, 232.398438 MB of memory in use. ENERGY: 376800 4054.2274 20494.9912 14417.1112 227.2382 -203433.8793 2586.4593 0.0000 0.0000 51958.6557 -109695.1962 298.6071 -161653.8519 -109332.7226 299.0533 -183.5445 -151.8954 761101.0913 10.5592 10.4900 PRESSURE: 377000 -73.2662 -135.973 -107.718 -135.973 -292.207 149.285 -107.719 149.286 -54.6684 GPRESSURE: 377000 -114.18 -204.151 -4.43393 -95.5881 -195.436 169.12 -133.118 77.5415 -17.6023 PRESSAVG: 377000 44.4875 -37.9075 -4.34557 -37.9075 -2.94129 8.23701 -4.34554 8.23702 18.0111 GPRESSAVG: 377000 45.0336 -37.5317 -4.09361 -40.236 -3.86888 8.85154 -4.7955 6.1824 18.4474 TIMING: 377000 CPU: 1190.67, 0.00316954/step Wall: 1190.67, 0.00316954/step, 4.07021 hours remaining, 232.398438 MB of memory in use. ENERGY: 377000 4034.6738 20562.2093 14369.3359 251.2382 -202951.4196 2346.9131 0.0000 0.0000 51606.6248 -109780.4246 296.5840 -161387.0494 -109421.0416 298.4721 -140.0470 -109.0730 762085.4824 19.8524 19.8707 PRESSURE: 377200 -104.245 -88.1148 313.295 -88.1149 -261.537 -67.3436 313.295 -67.3438 105.671 GPRESSURE: 377200 43.3465 -37.1084 343.405 -87.3143 -304.977 -43.6032 267.099 -68.4641 82.6368 PRESSAVG: 377200 6.81076 -16.3778 51.7937 -16.3778 -26.9501 0.815417 51.7937 0.815424 6.85662 GPRESSAVG: 377200 7.70216 -17.9711 52.5518 -15.2011 -27.7466 1.3839 52.122 2.45479 6.85296 TIMING: 377200 CPU: 1191.31, 0.00317852/step Wall: 1191.31, 0.00317853/step, 4.08158 hours remaining, 232.398438 MB of memory in use. ENERGY: 377200 4125.2297 20638.4902 14353.4578 259.4456 -203649.5169 2740.5639 0.0000 0.0000 51885.3998 -109646.9300 298.1861 -161532.3298 -109300.6764 298.4633 -86.7034 -59.6645 761063.3365 -4.4276 -4.3972 PRESSURE: 377400 57.5044 89.0309 99.8608 89.0306 -236.959 379.268 99.8608 379.268 -440.787 GPRESSURE: 377400 70.778 -3.12479 115.748 17.3944 -185.934 414.577 18.5346 310.313 -400.555 PRESSAVG: 377400 15.1987 -33.9306 32.9606 -33.9306 -16.9901 24.6982 32.9606 24.6982 -2.11311 GPRESSAVG: 377400 15.2409 -33.0269 32.895 -36.2423 -17.4689 22.4406 30.9526 24.804 -2.40041 TIMING: 377400 CPU: 1191.94, 0.0031781/step Wall: 1191.94, 0.0031781/step, 4.08086 hours remaining, 232.398438 MB of memory in use. ENERGY: 377400 4035.3216 20462.9199 14549.0420 239.1673 -203285.5043 2596.2059 0.0000 0.0000 51781.2692 -109621.5784 297.5877 -161402.8476 -109253.4048 298.2756 -206.7470 -171.9037 760007.3431 -1.3015 -1.5428 PRESSURE: 377600 317.82 -109.187 -38.944 -109.187 -44.8814 -17.179 -38.9436 -17.1789 -172.021 GPRESSURE: 377600 282.742 48.4681 -44.7611 -2.29449 10.2109 -50.16 101.225 8.07943 -81.8246 PRESSAVG: 377600 -32.694 -14.5768 101.627 -14.5769 58.5588 45.6498 101.627 45.6498 9.6753 GPRESSAVG: 377600 -33.482 -13.7548 101.103 -12.2967 60.5531 46.5211 101.38 44.4141 8.57568 TIMING: 377600 CPU: 1192.58, 0.00316854/step Wall: 1192.58, 0.00316854/step, 4.06841 hours remaining, 232.398438 MB of memory in use. ENERGY: 377600 3994.0021 20691.7276 14467.3364 245.1989 -203314.7578 2550.8407 0.0000 0.0000 51883.9613 -109481.6907 298.1778 -161365.6520 -109124.4337 298.9316 33.6392 70.3761 760434.0169 11.8467 11.8822 PRESSURE: 377800 235.278 30.0154 83.9101 30.0163 -24.769 -40.4829 83.9107 -40.4827 87.5867 GPRESSURE: 377800 275.237 -27.9875 90.1797 84.6647 2.93066 -64.3505 154.088 75.5682 107.87 PRESSAVG: 377800 17.4411 -14.9176 -16.3924 -14.9176 7.91612 28.5209 -16.3924 28.5209 -0.639509 GPRESSAVG: 377800 18.4086 -18.5127 -17.4238 -13.4623 6.99218 29.2566 -14.3416 29.1743 -0.449883 TIMING: 377800 CPU: 1193.21, 0.00316888/step Wall: 1193.21, 0.00316888/step, 4.06867 hours remaining, 232.398438 MB of memory in use. ENERGY: 377800 3989.6036 20385.3665 14460.1807 256.8056 -203452.6437 2834.7287 0.0000 0.0000 52005.5215 -109520.4371 298.8764 -161525.9586 -109156.5842 298.7205 99.3651 128.6792 760619.1700 8.2393 8.3170 PRESSURE: 378000 -64.2715 -8.44563 123.501 -8.44559 -76.2449 223.571 123.5 223.572 -62.7519 GPRESSURE: 378000 -52.7509 -81.4689 79.7547 27.8715 -12.8566 300.398 116.908 193.252 -42.3587 PRESSAVG: 378000 -21.6657 -30.5744 13.9212 -30.5744 -30.9259 68.3555 13.9212 68.3556 3.40935 GPRESSAVG: 378000 -22.788 -29.2418 12.7606 -31.7955 -30.9439 68.7128 14.746 69.7448 4.36683 TIMING: 378000 CPU: 1193.84, 0.00315965/step Wall: 1193.84, 0.00315965/step, 4.05664 hours remaining, 232.398438 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: 378000 3924.0021 20491.8608 14488.3350 265.1010 -203125.4632 2480.3911 0.0000 0.0000 52062.2830 -109413.4901 299.2027 -161475.7732 -109050.6410 299.0375 -67.7561 -35.9887 761903.9860 -16.3941 -16.4550 PRESSURE: 378200 183.942 -67.2279 140.409 -67.2282 -37.8642 202.786 140.408 202.785 420.057 GPRESSURE: 378200 175.278 -151.135 131.509 -66.6441 80.1889 228.727 52.9153 245.101 402.032 PRESSAVG: 378200 8.6058 -43.6157 10.0069 -43.6157 0.203227 19.0215 10.0069 19.0216 -11.5105 GPRESSAVG: 378200 10.4916 -45.5774 12.6303 -43.435 0.0135523 18.883 8.35925 18.0503 -12.4865 TIMING: 378200 CPU: 1194.48, 0.00318962/step Wall: 1194.48, 0.00318962/step, 4.09494 hours remaining, 232.398438 MB of memory in use. ENERGY: 378200 3932.4869 20407.3229 14466.9037 251.0159 -203261.6538 2507.6775 0.0000 0.0000 52202.9288 -109493.3181 300.0109 -161696.2469 -109128.0804 298.9934 188.7116 219.1660 763023.7589 -0.9005 -0.6604 PRESSURE: 378400 191.05 56.9952 38.3589 56.9951 -453.763 177.657 38.3582 177.656 257.374 GPRESSURE: 378400 203.992 98.8605 63.3435 77.2809 -341.508 183.916 13.0844 163.131 231.21 PRESSAVG: 378400 66.2974 -16.5587 -36.1739 -16.5588 -39.6557 8.86036 -36.1739 8.86037 23.0265 GPRESSAVG: 378400 65.7852 -14.727 -36.5539 -16.1461 -39.4603 8.81584 -36.217 10.629 23.3436 TIMING: 378400 CPU: 1195.11, 0.00317783/step Wall: 1195.11, 0.00317783/step, 4.07963 hours remaining, 232.398438 MB of memory in use. ENERGY: 378400 3988.2897 20284.2976 14361.8280 267.8155 -203414.2480 2749.2992 0.0000 0.0000 51977.1214 -109785.5966 298.7132 -161762.7180 -109416.8098 298.4315 -1.7799 31.2312 761843.9570 16.5561 16.5562 PRESSURE: 378600 -347.763 85.9514 9.05621 85.9511 1.66394 61.4877 9.05684 61.4881 -9.70313 GPRESSURE: 378600 -246.742 125.806 -53.4427 4.04311 -40.9581 81.2703 -15.5463 46.8745 25.0546 PRESSAVG: 378600 18.5812 0.400592 -1.2421 0.400645 4.00907 14.7306 -1.24213 14.7307 -13.7452 GPRESSAVG: 378600 18.7785 0.79464 -3.50336 -1.70475 3.13755 13.326 0.300145 13.5593 -12.9518 TIMING: 378600 CPU: 1195.75, 0.00316747/step Wall: 1195.75, 0.00316747/step, 4.06616 hours remaining, 232.398438 MB of memory in use. ENERGY: 378600 4024.0133 20458.1069 14398.8978 237.1531 -203476.4616 2787.5385 0.0000 0.0000 51844.1196 -109726.6324 297.9489 -161570.7521 -109373.1585 298.1021 -118.6007 -87.5487 762525.1289 2.9484 2.9881 PRESSURE: 378800 -182.62 140.245 14.8528 140.245 -115.349 66.6196 14.853 66.619 -8.95673 GPRESSURE: 378800 -81.5584 120.13 40.0129 3.21435 -180.153 117.037 -50.6073 -48.5223 53.8828 PRESSAVG: 378800 -4.86289 29.3775 34.3063 29.3775 -22.7829 15.5436 34.3064 15.5436 5.48624 GPRESSAVG: 378800 -4.80849 28.6233 36.0069 29.694 -21.8078 17.0232 34.4258 14.5791 4.80971 TIMING: 378800 CPU: 1196.38, 0.00318269/step Wall: 1196.38, 0.00318269/step, 4.08552 hours remaining, 232.398438 MB of memory in use. ENERGY: 378800 3966.9657 20350.2633 14473.6083 247.3246 -203252.3245 2603.8752 0.0000 0.0000 51918.5102 -109691.7771 298.3764 -161610.2873 -109331.6519 297.9185 -102.3084 -69.2763 762079.6848 -7.3865 -7.2689 PRESSURE: 379000 -26.8613 -115.556 55.8264 -115.556 -89.8873 -34.0353 55.8267 -34.0354 129.679 GPRESSURE: 379000 -95.5857 -117.483 84.6972 -85.2955 -29.1763 1.4538 87.9712 -25.6692 218.493 PRESSAVG: 379000 16.3071 -32.6282 14.4959 -32.6282 7.9528 -12.2713 14.496 -12.2714 18.1747 GPRESSAVG: 379000 14.3513 -32.4956 15.6099 -31.6663 7.82333 -12.61 13.0113 -11.8648 19.9096 TIMING: 379000 CPU: 1197.02, 0.00317084/step Wall: 1197.02, 0.00317084/step, 4.07013 hours remaining, 232.398438 MB of memory in use. ENERGY: 379000 3968.7983 20540.5598 14484.1026 245.8422 -203528.9206 2744.8778 0.0000 0.0000 52266.2626 -109278.4773 300.3749 -161544.7398 -108920.8065 298.8137 4.3102 31.2435 760467.5995 14.1448 14.0281 PRESSURE: 379200 23.5672 -44.2452 31.4197 -44.245 -142.047 -143.216 31.4197 -143.215 9.59855 GPRESSURE: 379200 14.1513 95.5953 108.671 -21.6363 -42.5373 -101.026 -77.3318 -148.427 8.33795 PRESSAVG: 379200 10.7343 -20.8159 -29.509 -20.8159 15.2943 -13.274 -29.509 -13.2741 21.0216 GPRESSAVG: 379200 11.6201 -21.7704 -30.2913 -19.7655 16.3738 -11.6379 -28.3008 -14.709 19.5546 TIMING: 379200 CPU: 1197.65, 0.00315055/step Wall: 1197.65, 0.00315055/step, 4.04391 hours remaining, 232.398438 MB of memory in use. ENERGY: 379200 3934.9404 20668.2453 14474.6977 260.4687 -203554.9922 2767.4544 0.0000 0.0000 52159.2071 -109289.9785 299.7597 -161449.1856 -108931.0023 299.1266 -36.2937 -6.6827 761257.0058 15.6834 15.8495 PRESSURE: 379400 257.652 -62.4848 55.6329 -62.4851 74.1683 -245.738 55.6326 -245.739 -357.841 GPRESSURE: 379400 271.025 -25.3807 -43.6803 -98.421 37.8425 -258.182 7.62349 -423.164 -248.62 PRESSAVG: 379400 33.9844 -15.0606 26.6866 -15.0606 -22.4612 32.6165 26.6865 32.6165 -2.75303 GPRESSAVG: 379400 33.8384 -14.7561 25.4659 -16.317 -22.5802 30.2315 27.1351 34.6344 -1.9932 TIMING: 379400 CPU: 1198.28, 0.00314253/step Wall: 1198.28, 0.00314253/step, 4.03344 hours remaining, 232.398438 MB of memory in use. ENERGY: 379400 3996.7981 20621.8183 14422.9718 248.6675 -203094.1811 2645.2999 0.0000 0.0000 51676.8289 -109481.7967 296.9874 -161158.6256 -109126.7018 298.7924 -8.6735 20.0826 759947.4108 2.9234 3.0883 PRESSURE: 379600 193.961 -108.834 -74.6912 -108.834 63.5689 30.3307 -74.6912 30.332 125.454 GPRESSURE: 379600 270.046 -247.667 -149.781 -227.362 83.2254 3.56884 -11.9998 -4.34967 123.303 PRESSAVG: 379600 44.4872 -41.423 -29.627 -41.423 -23.2075 -38.7652 -29.627 -38.7652 -16.0705 GPRESSAVG: 379600 46.5775 -41.0412 -29.5415 -42.144 -22.6776 -36.6548 -29.4847 -40.6194 -18.5816 TIMING: 379600 CPU: 1198.91, 0.00313973/step Wall: 1198.91, 0.00313973/step, 4.02967 hours remaining, 232.398438 MB of memory in use. ENERGY: 379600 3992.3401 20358.4115 14506.3609 257.7681 -203498.4945 2752.7059 0.0000 0.0000 52099.7109 -109531.1972 299.4178 -161630.9081 -109168.8436 298.7150 127.6612 158.8581 759221.9075 1.7364 1.7728 PRESSURE: 379800 -397.564 74.927 148.56 74.9269 43.4138 -69.316 148.56 -69.3155 -30.1727 GPRESSURE: 379800 -418.518 130.944 121.408 115.436 58.5672 -48.1228 41.1382 -60.8726 66.1071 PRESSAVG: 379800 13.9081 3.15519 22.8417 3.15517 4.86335 -14.2126 22.8417 -14.2125 5.22538 GPRESSAVG: 379800 13.2465 6.64716 22.4704 2.85227 4.67572 -16.3964 21.2299 -12.4694 6.28578 TIMING: 379800 CPU: 1199.53, 0.00314097/step Wall: 1199.53, 0.00314097/step, 4.03108 hours remaining, 232.398438 MB of memory in use. ENERGY: 379800 3975.3628 20470.4152 14437.7402 244.7050 -203033.6324 2465.4059 0.0000 0.0000 51904.1404 -109535.8628 298.2938 -161440.0033 -109179.6246 299.1635 -128.1077 -97.9479 760731.4346 7.9990 8.0693 PRESSURE: 380000 -146.429 90.5832 -130.937 90.5837 -179.335 -42.3094 -130.938 -42.3099 -77.5564 GPRESSURE: 380000 -40.638 49.2298 -130.521 138.45 -188.898 -13.1561 -137.265 56.3873 -68.9971 PRESSAVG: 380000 12.6233 33.9286 -23.9933 33.9286 -56.9303 -19.6895 -23.9933 -19.6895 -5.73208 GPRESSAVG: 380000 12.575 30.7471 -22.5706 34.5241 -57.4633 -18.8713 -23.8472 -19.7356 -5.2901 TIMING: 380000 CPU: 1200.16, 0.00313402/step Wall: 1200.16, 0.00313402/step, 4.022 hours remaining, 232.398438 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: 380000 3983.1768 20378.2388 14466.7369 252.2893 -203038.6209 2561.9912 0.0000 0.0000 51943.5658 -109452.6221 298.5204 -161396.1878 -109092.7700 299.1266 -134.4403 -99.5109 761668.4417 -16.6797 -16.7261 PRESSURE: 380200 135.517 -68.8119 330.151 -68.8125 300.452 -152.975 330.15 -152.974 -198.15 GPRESSURE: 380200 152.439 40.8795 307.427 -109.533 361.861 -190.709 233.459 -158.156 -215.576 PRESSAVG: 380200 23.8714 -3.92362 -3.90323 -3.92363 -31.9921 0.912565 -3.90324 0.91247 -44.602 GPRESSAVG: 380200 23.4986 -3.17851 -5.24857 -3.26271 -30.8241 1.2622 -1.81635 -0.272512 -46.0333 TIMING: 380200 CPU: 1200.78, 0.003124/step Wall: 1200.78, 0.003124/step, 4.00896 hours remaining, 232.398438 MB of memory in use. ENERGY: 380200 4063.6217 20535.2105 14440.1921 252.0405 -203041.7903 2633.4892 0.0000 0.0000 51956.5316 -109160.7048 298.5949 -161117.2363 -108809.3436 299.5388 79.2731 99.5746 761036.3915 -17.5743 -17.7863 LDB: ============= START OF LOAD BALANCING ============== 1213.32 LDB: ============== END OF LOAD BALANCING =============== 1213.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1213.32 LDB: ============= START OF LOAD BALANCING ============== 1213.64 LDB: Largest compute 7076 load 0.032482 is 16.7% of average load 0.195063 LDB: Average compute 0.004388 is 2.2% of average load 0.195063 LDB: TIME 1213.64 LOAD: AVG 0.195063 MAX 0.21941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.844 MB LDB: TIME 1213.64 LOAD: AVG 0.195063 MAX 0.21941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.844 MB LDB: TIME 1213.64 LOAD: AVG 0.195063 MAX 0.214279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.844 MB LDB: ============== END OF LOAD BALANCING =============== 1213.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1213.65 PRESSURE: 380400 -48.7532 -25.9339 -4.54028 -25.9344 -34.0432 -43.5076 -4.54062 -43.507 -57.8018 GPRESSURE: 380400 -86.1488 41.4289 -33.6116 -135.146 21.4078 -4.23006 -136.975 -44.708 10.2142 PRESSAVG: 380400 38.5085 16.2458 -22.2456 16.2458 -30.5638 -16.3933 -22.2455 -16.3933 16.9557 GPRESSAVG: 380400 37.9803 16.6358 -21.2496 15.633 -30.7626 -16.8041 -24.0874 -14.3393 17.7709 TIMING: 380400 CPU: 1201.43, 0.00322337/step Wall: 1201.43, 0.00322337/step, 4.1363 hours remaining, 232.332031 MB of memory in use. ENERGY: 380400 3990.6677 20448.0975 14448.7110 236.6243 -202731.9481 2364.0930 0.0000 0.0000 52068.5837 -109175.1709 299.2389 -161243.7546 -108824.5668 299.7868 -46.8661 -18.1756 762735.0612 8.3001 8.3296 PRESSURE: 380600 140.107 -139.023 -109.446 -139.022 -418.611 8.47676 -109.446 8.47598 -57.6779 GPRESSURE: 380600 168.567 19.1404 -70.1361 -67.9424 -438.319 28.0834 -223.758 -3.83563 0.576042 PRESSAVG: 380600 -33.3631 -40.6091 -11.6058 -40.6091 -17.8778 -4.85463 -11.6057 -4.85464 9.89777 GPRESSAVG: 380600 -32.9373 -42.4616 -13.2825 -38.4642 -18.6462 -5.32762 -12.065 -4.2199 10.3576 TIMING: 380600 CPU: 1202.06, 0.00314346/step Wall: 1202.06, 0.00314346/step, 4.03358 hours remaining, 232.390625 MB of memory in use. ENERGY: 380600 3929.8150 20550.1475 14444.8582 226.8146 -202932.6208 2499.9348 0.0000 0.0000 52091.0305 -109190.0202 299.3679 -161281.0507 -108829.5365 299.3673 -112.0605 -89.7253 762841.7305 -13.7810 -13.7420 PRESSURE: 380800 -197.35 -38.0279 181.292 -38.0283 -214.423 -84.3077 181.292 -84.3068 -353.257 GPRESSURE: 380800 -237.454 -36.5094 236.542 73.0361 -156.472 -46.7852 128.172 -47.5196 -308.893 PRESSAVG: 380800 41.8728 8.10862 -7.982 8.10862 -48.5673 -31.4367 -7.98202 -31.4367 0.418731 GPRESSAVG: 380800 41.7963 11.1451 -8.04155 4.95215 -48.1552 -32.5041 -6.29442 -31.8176 -0.350454 TIMING: 380800 CPU: 1202.69, 0.00315234/step Wall: 1202.69, 0.00315234/step, 4.04481 hours remaining, 232.457031 MB of memory in use. ENERGY: 380800 4068.4096 20492.0717 14482.7265 232.2094 -203238.2242 2687.3074 0.0000 0.0000 52100.4076 -109175.0918 299.4218 -161275.4994 -108807.0028 299.5246 -255.0098 -234.2727 764148.0891 -2.0920 -2.2364 PRESSURE: 381000 -13.5201 -102.421 -156.676 -102.422 332.652 164.909 -156.676 164.909 28.7337 GPRESSURE: 381000 16.5365 -102.297 -120.522 -84.6063 359.937 87.0273 -32.6139 129.395 43.5764 PRESSAVG: 381000 1.14467 -22.108 -14.6952 -22.108 -47.9235 19.0188 -14.6951 19.0188 -16.2246 GPRESSAVG: 381000 1.68966 -23.2599 -13.1849 -18.9873 -48.4054 20.3666 -14.2842 17.7337 -16.5347 TIMING: 381000 CPU: 1203.32, 0.00313781/step Wall: 1203.32, 0.00313781/step, 4.02599 hours remaining, 232.457031 MB of memory in use. ENERGY: 381000 3955.0737 20468.8384 14407.0578 249.9219 -202996.7332 2689.0918 0.0000 0.0000 51917.4557 -109309.2940 298.3703 -161226.7497 -108954.7394 299.3903 115.9551 140.0166 762293.4977 -21.0012 -21.0835 PRESSURE: 381200 -151.52 33.5498 -59.22 33.5496 -317.903 224.539 -59.22 224.539 -20.6711 GPRESSURE: 381200 -132.142 -27.3294 -53.0465 9.55301 -319.023 196.046 -146.447 251.085 54.6075 PRESSAVG: 381200 -22.5867 34.6444 -6.42944 34.6445 7.55931 -3.25704 -6.42947 -3.25708 5.6399 GPRESSAVG: 381200 -23.549 33.5652 -7.56235 34.4665 7.58754 -1.65058 -9.25758 -2.65824 6.55621 TIMING: 381200 CPU: 1203.95, 0.00315903/step Wall: 1203.95, 0.00315903/step, 4.05303 hours remaining, 232.457031 MB of memory in use. ENERGY: 381200 3971.8575 20557.2181 14427.5678 237.7236 -203369.0400 2764.5122 0.0000 0.0000 51957.3302 -109452.8307 298.5995 -161410.1608 -109103.6410 299.0610 -163.3645 -132.1860 761711.5645 -3.1292 -3.1351 PRESSURE: 381400 -48.6445 -122.088 90.8784 -122.087 68.3054 -71.7065 90.8786 -71.7063 -279.439 GPRESSURE: 381400 -9.10294 -218.849 96.5363 -151.907 93.4785 -94.1189 78.6799 -104.456 -236.648 PRESSAVG: 381400 24.3853 25.4593 -82.4793 25.4593 5.90493 26.0922 -82.4793 26.0921 13.4536 GPRESSAVG: 381400 25.2902 26.2073 -80.8911 23.8414 5.98177 24.8388 -81.6875 26.699 12.8651 TIMING: 381400 CPU: 1204.58, 0.00315501/step Wall: 1204.58, 0.00315501/step, 4.0477 hours remaining, 232.457031 MB of memory in use. ENERGY: 381400 3996.3759 20615.4523 14377.6754 261.4560 -203065.4796 2328.6985 0.0000 0.0000 51805.0483 -109680.7732 297.7243 -161485.8215 -109321.1547 298.8530 -86.5926 -50.7574 761297.2156 14.5813 14.7123 PRESSURE: 381600 -113.45 43.8046 23.6797 43.8039 437.572 75.2278 23.6797 75.2273 -176.689 GPRESSURE: 381600 -66.4828 73.7472 -1.51591 64.4373 375.684 73.2589 -33.2767 136.573 -90.9202 PRESSAVG: 381600 10.7808 -13.4458 -71.6313 -13.4457 34.1912 16.7045 -71.6312 16.7046 0.901984 GPRESSAVG: 381600 11.2676 -10.6193 -72.681 -12.835 33.6631 16.7245 -71.586 16.0306 1.21194 TIMING: 381600 CPU: 1205.21, 0.00315452/step Wall: 1205.21, 0.00315452/step, 4.0469 hours remaining, 232.457031 MB of memory in use. ENERGY: 381600 3945.3991 20553.7935 14431.5088 253.5077 -203753.7918 2870.0072 0.0000 0.0000 51877.7765 -109821.7990 298.1423 -161699.5755 -109461.7940 298.6541 49.1443 72.7602 760713.4225 15.2913 15.3809 PRESSURE: 381800 24.5366 29.5729 -26.6117 29.5725 0.843228 -52.4118 -26.6116 -52.4123 -96.479 GPRESSURE: 381800 36.5646 107.144 64.4272 -98.6541 0.538605 -56.1466 -63.0305 -72.0263 -27.8042 PRESSAVG: 381800 -27.9295 -15.1674 -30.1101 -15.1673 -9.50526 -30.2613 -30.1101 -30.2613 16.7358 GPRESSAVG: 381800 -27.9565 -16.2799 -30.0434 -15.5983 -9.14592 -29.1672 -32.2755 -29.72 16.4204 TIMING: 381800 CPU: 1205.84, 0.00313785/step Wall: 1205.84, 0.00313785/step, 4.02534 hours remaining, 232.457031 MB of memory in use. ENERGY: 381800 4025.8395 20467.9717 14490.5262 240.2037 -203360.7036 2396.9289 0.0000 0.0000 51971.7916 -109767.4420 298.6826 -161739.2336 -109404.2976 298.5842 -23.6997 3.0997 760247.9809 -6.8997 -6.8940 PRESSURE: 382000 -242.695 128.2 -90.1881 128.2 135.653 235.7 -90.1884 235.699 70.0866 GPRESSURE: 382000 -108.274 96.0033 -87.8523 165.719 130.308 222.863 -186.001 173.575 43.8725 PRESSAVG: 382000 15.7877 14.4575 -53.7036 14.4575 -44.7939 1.37113 -53.7036 1.37114 -2.41938 GPRESSAVG: 382000 16.8419 13.5271 -53.2691 15.0624 -45.0359 -0.694769 -51.9947 1.44366 -3.56222 TIMING: 382000 CPU: 1206.46, 0.00312659/step Wall: 1206.46, 0.00312659/step, 4.01072 hours remaining, 232.457031 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: 382000 3925.1865 20562.6582 14480.8752 250.6703 -203475.2321 2382.6368 0.0000 0.0000 51895.7984 -109977.4068 298.2459 -161873.2052 -109609.3886 298.3734 -12.3187 21.9689 760093.6236 -10.4752 -10.5854 PRESSURE: 382200 -169.063 -185.919 -20.5207 -185.92 13.221 -42.7409 -20.5213 -42.7397 8.50377 GPRESSURE: 382200 -42.5976 -125.524 12.9567 -149.442 14.3213 -76.2857 6.79426 -110.611 -50.0641 PRESSAVG: 382200 2.79333 -14.9492 -21.5746 -14.9492 -20.4709 17.6054 -21.5745 17.6053 -7.5881 GPRESSAVG: 382200 2.5568 -14.7864 -21.4996 -15.5898 -21.1941 19.0573 -20.1488 16.0315 -6.88525 TIMING: 382200 CPU: 1207.09, 0.00313949/step Wall: 1207.09, 0.00313949/step, 4.0271 hours remaining, 232.457031 MB of memory in use. ENERGY: 382200 4017.4402 20429.0960 14485.3039 245.2143 -203645.3586 2501.9761 0.0000 0.0000 52032.3374 -109933.9908 299.0306 -161966.3282 -109577.0481 297.9741 -49.1128 -26.1135 761786.4320 -8.4219 -8.5075 PRESSURE: 382400 -34.6025 52.5611 286.901 52.5616 -178.172 270.876 286.901 270.876 140.888 GPRESSURE: 382400 -21.001 27.8085 268.369 187.321 -154.995 193.914 307.195 237.427 173.533 PRESSAVG: 382400 -1.00603 14.81 -42.1914 14.81 14.8045 6.06024 -42.1915 6.06017 2.82842 GPRESSAVG: 382400 -2.24919 16.0423 -42.3759 15.3843 14.3522 6.12183 -42.4549 7.01172 4.3964 TIMING: 382400 CPU: 1207.72, 0.00313777/step Wall: 1207.72, 0.00313777/step, 4.02471 hours remaining, 232.457031 MB of memory in use. ENERGY: 382400 3921.4077 20645.6794 14447.9276 230.1614 -203619.7114 2598.2019 0.0000 0.0000 51908.3267 -109868.0068 298.3179 -161776.3334 -109507.7625 298.2558 -23.9621 -0.8210 762720.1366 5.5423 5.4998 PRESSURE: 382600 -211.224 -86.3556 46.6976 -86.3556 -22.5781 32.0362 46.6972 32.0351 121.001 GPRESSURE: 382600 -176.035 -123.718 -15.8435 -25.9883 -44.4983 56.0995 37.4828 -4.53012 202.012 PRESSAVG: 382600 12.322 4.16638 13.0538 4.16644 -21.9437 20.1361 13.0538 20.1361 -7.9316 GPRESSAVG: 382600 12.6211 3.07494 12.5325 5.71032 -20.6926 19.5905 13.8436 19.1232 -9.30099 TIMING: 382600 CPU: 1208.35, 0.00317173/step Wall: 1208.35, 0.00317173/step, 4.0681 hours remaining, 232.457031 MB of memory in use. ENERGY: 382600 3958.9384 20661.1171 14482.1969 239.3450 -203620.5129 2663.6373 0.0000 0.0000 51762.8061 -109852.4722 297.4816 -161615.2783 -109497.9721 298.4501 -37.6002 -6.1738 762044.1428 -5.8511 -5.7908 PRESSURE: 382800 -152.986 -232.691 -73.7219 -232.691 1.92779 31.9764 -73.7218 31.9766 -315.28 GPRESSURE: 382800 15.0041 -244.945 -29.6822 -77.9826 -44.2316 26.675 -65.8533 23.0025 -346.447 PRESSAVG: 382800 -25.3259 -47.6295 -43.4132 -47.6295 47.9816 13.2612 -43.4132 13.2611 -18.1715 GPRESSAVG: 382800 -25.5495 -48.2219 -42.0424 -48.441 46.7324 15.2866 -45.1528 12.2846 -17.1871 TIMING: 382800 CPU: 1208.98, 0.00313766/step Wall: 1208.98, 0.00313766/step, 4.02423 hours remaining, 232.457031 MB of memory in use. ENERGY: 382800 4140.2555 20557.3823 14352.3265 252.1368 -203307.3738 2478.5610 0.0000 0.0000 51937.9622 -109588.7495 298.4882 -161526.7117 -109230.0740 298.7616 -155.4460 -125.2249 760847.1358 1.4947 1.3319 PRESSURE: 383000 -251.795 -90.0251 32.8104 -90.026 -76.542 -25.7446 32.8102 -25.7444 -59.2954 GPRESSURE: 383000 -222.988 -210.803 10.5627 -96.4498 -121.063 -60.9117 -17.7713 42.0311 43.127 PRESSAVG: 383000 -8.16796 -15.5519 1.17821 -15.5519 2.81203 -43.3606 1.17819 -43.3606 20.225 GPRESSAVG: 383000 -8.46692 -16.856 0.0918317 -17.1366 3.04434 -45.3151 2.39173 -41.9308 19.9994 TIMING: 383000 CPU: 1209.61, 0.00314841/step Wall: 1209.61, 0.00314841/step, 4.03783 hours remaining, 232.457031 MB of memory in use. ENERGY: 383000 3981.3278 20559.0389 14359.9974 233.9485 -203457.3073 2718.3478 0.0000 0.0000 52130.1426 -109474.5044 299.5926 -161604.6470 -109110.4078 299.0360 -129.2109 -100.3080 762754.7829 4.9563 4.8589 PRESSURE: 383200 94.4793 40.9339 107.336 40.9346 189.834 -11.1163 107.336 -11.1157 24.3917 GPRESSURE: 383200 168.482 15.9016 120.687 68.2143 200.394 -36.8994 76.6943 67.9837 23.6092 PRESSAVG: 383200 84.2401 -23.7503 -9.22753 -23.7503 -21.4955 6.90451 -9.22748 6.9046 -10.5425 GPRESSAVG: 383200 84.7378 -22.3802 -10.1211 -23.4335 -21.5204 6.49066 -8.44753 7.39436 -10.9821 TIMING: 383200 CPU: 1210.24, 0.00315676/step Wall: 1210.24, 0.00315676/step, 4.04837 hours remaining, 232.445312 MB of memory in use. ENERGY: 383200 4009.8586 20582.2628 14399.2262 228.7579 -204282.5032 3186.2509 0.0000 0.0000 52342.1669 -109533.9798 300.8112 -161876.1467 -109175.1587 298.9040 102.9015 130.8282 761539.9673 17.4007 17.4118 PRESSURE: 383400 -368.888 -50.8535 222.721 -50.8532 389.013 -131.144 222.721 -131.144 138.669 GPRESSURE: 383400 -293.745 20.2386 213.899 -61.3876 355.762 -66.9942 227.468 -128.53 161.634 PRESSAVG: 383400 -0.746012 -33.1543 -27.8994 -33.1544 24.1867 -32.2974 -27.8995 -32.2974 11.0239 GPRESSAVG: 383400 -0.201511 -30.9414 -27.3258 -34.265 23.7632 -31.8323 -28.6591 -31.8414 11.1689 TIMING: 383400 CPU: 1210.87, 0.00315908/step Wall: 1210.87, 0.00315908/step, 4.05117 hours remaining, 232.457031 MB of memory in use. ENERGY: 383400 4015.4941 20776.2055 14462.5054 227.8331 -203694.9058 2821.0981 0.0000 0.0000 52030.4939 -109361.2756 299.0200 -161391.7695 -109003.0651 299.1936 52.9313 74.5502 760262.5936 11.4882 11.5769 PRESSURE: 383600 214.33 -119.484 69.7747 -119.483 169.729 89.417 69.7749 89.4188 28.8927 GPRESSURE: 383600 195.488 -96.926 87.7417 -215.605 242.073 125.813 116.981 62.1032 63.3985 PRESSAVG: 383600 -9.67325 11.9016 -3.0789 11.9017 26.518 42.6479 -3.07889 42.648 -10.6528 GPRESSAVG: 383600 -8.39253 9.82684 -3.72677 13.0427 26.789 41.5755 -0.0502333 42.8729 -11.7255 TIMING: 383600 CPU: 1211.5, 0.00314115/step Wall: 1211.5, 0.00314115/step, 4.028 hours remaining, 232.457031 MB of memory in use. ENERGY: 383600 4058.5759 20397.6564 14513.0607 235.0485 -203681.2700 2848.0011 0.0000 0.0000 52303.5842 -109325.3431 300.5894 -161628.9273 -108953.5898 299.4755 137.6505 166.9864 762105.9775 2.0640 2.2237 PRESSURE: 383800 -29.3926 -176.406 -80.4856 -176.407 -45.3244 273.82 -80.4857 273.82 29.9356 GPRESSURE: 383800 27.7 -96.4795 -37.3933 -118.076 33.7932 265.036 -76.4053 190.728 -17.6848 PRESSAVG: 383800 -36.5479 4.3807 -31.2091 4.38063 39.1788 -15.4341 -31.2091 -15.434 -9.38614 GPRESSAVG: 383800 -38.8051 3.50179 -29.5465 5.72017 39.3189 -13.5288 -35.1552 -17.7509 -7.14279 TIMING: 383800 CPU: 1212.13, 0.00313985/step Wall: 1212.13, 0.00313985/step, 4.02616 hours remaining, 232.457031 MB of memory in use. ENERGY: 383800 3999.6165 20605.1115 14520.7815 238.7158 -203342.3817 2709.1310 0.0000 0.0000 51991.6259 -109277.3994 298.7966 -161269.0253 -108923.1094 299.0800 -14.9271 14.6028 762783.8640 -2.2518 -2.2097 PRESSURE: 384000 89.4625 -215.217 -279.352 -215.217 -182.724 -47.0683 -279.352 -47.0671 -37.75 GPRESSURE: 384000 104.543 -152.342 -326.99 -240.944 -135.496 -44.0388 -182.502 22.707 -3.1987 PRESSAVG: 384000 15.2533 -12.4644 -46.9798 -12.4644 -24.8942 2.62963 -46.9798 2.62964 -3.7854 GPRESSAVG: 384000 16.687 -10.3869 -48.0836 -14.6643 -25.48 2.60828 -44.8759 6.08476 -4.63765 TIMING: 384000 CPU: 1212.76, 0.00315638/step Wall: 1212.76, 0.00315638/step, 4.04718 hours remaining, 232.492188 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: 384000 4031.1599 20605.3116 14454.6385 244.3265 -204057.5956 3130.7128 0.0000 0.0000 52504.9457 -109086.5007 301.7466 -161591.4464 -108718.3278 299.7758 -43.6705 -11.3839 763136.4696 -4.4754 -4.4769 PRESSURE: 384200 119.766 -29.2734 -52.9017 -29.2739 -436.351 31.6241 -52.9018 31.6247 -404.209 GPRESSURE: 384200 115.188 64.6469 -26.1188 -45.7369 -331.39 79.7962 -93.2263 77.6556 -420.263 PRESSAVG: 384200 16.2526 6.45759 -43.4067 6.4575 -44.3312 59.7855 -43.4067 59.7855 -11.8434 GPRESSAVG: 384200 16.4222 7.43295 -42.3191 7.34272 -43.7466 59.2682 -45.0308 57.2388 -12.699 TIMING: 384200 CPU: 1213.39, 0.00315546/step Wall: 1213.39, 0.00315546/step, 4.04583 hours remaining, 232.457031 MB of memory in use. ENERGY: 384200 4061.2731 20556.6570 14559.9678 237.3131 -203326.8676 2611.2805 0.0000 0.0000 52078.0029 -109222.3733 299.2930 -161300.3761 -108856.6438 299.4155 -240.2649 -212.1550 762249.0092 -13.3073 -13.3411 LDB: ============= START OF LOAD BALANCING ============== 1225.92 LDB: ============== END OF LOAD BALANCING =============== 1225.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1225.93 LDB: ============= START OF LOAD BALANCING ============== 1226.24 LDB: Largest compute 7076 load 0.030998 is 15.9% of average load 0.195128 LDB: Average compute 0.004392 is 2.3% of average load 0.195128 LDB: TIME 1226.25 LOAD: AVG 0.195128 MAX 0.218169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.48 MB LDB: TIME 1226.25 LOAD: AVG 0.195128 MAX 0.218169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.688 MB LDB: TIME 1226.25 LOAD: AVG 0.195128 MAX 0.216093 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.688 MB LDB: ============== END OF LOAD BALANCING =============== 1226.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1226.25 PRESSURE: 384400 -50.2002 161.61 -67.7317 161.61 282.243 -107.702 -67.7312 -107.703 -63.5305 GPRESSURE: 384400 21.0771 105.147 -13.5236 105.997 309.92 -106.382 -130.452 -26.7972 -72.7919 PRESSAVG: 384400 45.7373 53.1763 -20.2822 53.1763 -38.8851 -28.5658 -20.2821 -28.5658 17.1707 GPRESSAVG: 384400 45.8369 52.6886 -21.3771 52.0255 -37.9762 -29.7409 -19.0789 -24.7801 15.8681 TIMING: 384400 CPU: 1214.04, 0.00322158/step Wall: 1214.04, 0.00322158/step, 4.13043 hours remaining, 232.128906 MB of memory in use. ENERGY: 384400 4065.6019 20496.2485 14512.1675 265.3705 -203610.5131 2939.7896 0.0000 0.0000 52043.8158 -109287.5194 299.0965 -161331.3352 -108923.9882 299.6941 56.1708 86.0685 762672.5282 8.0076 7.9096 PRESSURE: 384600 -92.7872 -75.2593 -134.158 -75.2587 119.049 -64.2162 -134.158 -64.2154 62.2307 GPRESSURE: 384600 -61.8679 14.1074 -195.445 -74.4985 172.029 -39.2122 -106.054 -34.884 88.3356 PRESSAVG: 384600 5.40743 32.4746 -57.726 32.4746 -19.3983 -16.5035 -57.7259 -16.5035 18.1647 GPRESSAVG: 384600 5.47708 33.6372 -57.5982 33.6318 -18.8501 -15.544 -58.7046 -20.2357 17.6726 TIMING: 384600 CPU: 1214.67, 0.00315977/step Wall: 1214.67, 0.00315977/step, 4.051 hours remaining, 232.128906 MB of memory in use. ENERGY: 384600 3997.2113 20512.6442 14575.2858 242.9212 -203642.6785 2952.1735 0.0000 0.0000 51889.8789 -109472.5634 298.2118 -161362.4424 -109116.2602 298.7929 29.4975 66.1654 761699.7898 1.3913 1.4332 PRESSURE: 384800 311.618 -100.595 48.9442 -100.595 109.44 -130.584 48.9449 -130.584 122.873 GPRESSURE: 384800 312.332 -221.413 85.5264 -37.2669 172.181 -28.1706 14.6517 -180.444 119.923 PRESSAVG: 384800 54.8014 -27.8997 19.2649 -27.8997 4.18402 37.3439 19.2649 37.3438 -15.9297 GPRESSAVG: 384800 54.0218 -30.5617 20.5266 -25.4194 3.4582 36.4563 17.5248 40.0978 -14.2657 TIMING: 384800 CPU: 1215.3, 0.00316396/step Wall: 1215.3, 0.00316396/step, 4.0562 hours remaining, 232.332031 MB of memory in use. ENERGY: 384800 4038.9606 20544.9549 14459.3370 261.6659 -203607.4553 2724.7590 0.0000 0.0000 52220.9064 -109356.8716 300.1143 -161577.7779 -109002.7711 299.1458 181.3103 201.4784 760889.0945 14.3519 14.4048 PRESSURE: 385000 -196.355 1.86826 -116.626 1.86817 -407.515 99.1425 -116.626 99.1415 -416.057 GPRESSURE: 385000 -151.931 -156.397 -99.1659 22.5424 -376.887 81.4623 -115.25 12.732 -385.113 PRESSAVG: 385000 31.7619 -55.7535 -42.6177 -55.7535 -31.0353 10.6055 -42.6178 10.6056 -10.7429 GPRESSAVG: 385000 32.3273 -55.322 -42.4145 -57.4791 -30.4915 11.2319 -39.7984 8.5483 -11.6309 TIMING: 385000 CPU: 1215.93, 0.00315072/step Wall: 1215.93, 0.00315072/step, 4.03905 hours remaining, 232.332031 MB of memory in use. ENERGY: 385000 4057.3612 20555.4196 14492.5264 245.7942 -203027.5719 2240.0206 0.0000 0.0000 52031.1715 -109405.2785 299.0239 -161436.4499 -109034.5630 299.6402 -339.9756 -304.6437 760303.3305 -3.3387 -3.2650 PRESSURE: 385200 210.949 131.891 47.1088 131.891 110.294 21.1965 47.1082 21.1975 207.138 GPRESSURE: 385200 162.925 109.221 50.2845 86.0281 222.669 151.34 -37.0776 -49.2532 225.528 PRESSAVG: 385200 -25.7685 -77.4222 -53.1603 -77.4222 30.5356 -24.341 -53.1603 -24.3411 12.3327 GPRESSAVG: 385200 -25.0364 -77.2648 -55.6934 -78.2135 29.5375 -24.099 -54.789 -21.4618 12.8374 TIMING: 385200 CPU: 1216.56, 0.00314528/step Wall: 1216.56, 0.00314528/step, 4.0319 hours remaining, 232.332031 MB of memory in use. ENERGY: 385200 4018.1519 20629.0733 14502.0897 258.6122 -203373.5956 2383.9851 0.0000 0.0000 51916.2381 -109665.4453 298.3633 -161581.6833 -109307.2610 298.8419 176.1269 203.7075 758528.8690 5.7000 5.7795 PRESSURE: 385400 107.006 64.8207 -150.116 64.8211 -101.748 -48.0114 -150.117 -48.012 188.874 GPRESSURE: 385400 156.996 102.163 -208.184 48.2133 32.0321 -23.3049 -213.875 11.1063 104.799 PRESSAVG: 385400 -38.5018 -26.8332 -1.62156 -26.8332 30.6905 -7.98093 -1.62154 -7.9809 3.79159 GPRESSAVG: 385400 -38.5598 -26.5403 -0.687791 -27.7475 30.7125 -8.94075 -2.14789 -9.96555 3.94363 TIMING: 385400 CPU: 1217.19, 0.00314539/step Wall: 1217.19, 0.00314539/step, 4.03187 hours remaining, 232.332031 MB of memory in use. ENERGY: 385400 4015.1539 20678.3519 14434.1418 239.2056 -203523.0285 2573.2350 0.0000 0.0000 52214.8200 -109368.1202 300.0793 -161582.9402 -109016.4203 299.0995 64.7109 97.9422 761143.3066 -1.3399 -1.3012 PRESSURE: 385600 6.62861 -126.103 72.2625 -126.103 -219.397 -223.827 72.263 -223.826 209.879 GPRESSURE: 385600 96.5192 -193.172 116.487 -110.414 -222.193 -254.161 104.188 -265.936 224.292 PRESSAVG: 385600 -4.45423 -31.8591 25.9712 -31.8591 -22.6993 -37.4213 25.9712 -37.4213 7.75756 GPRESSAVG: 385600 -3.42042 -32.8562 26.9306 -31.1971 -22.4133 -36.127 26.0629 -35.8245 6.76798 TIMING: 385600 CPU: 1217.82, 0.00313998/step Wall: 1217.82, 0.00313998/step, 4.02475 hours remaining, 232.332031 MB of memory in use. ENERGY: 385600 3973.3242 20481.6597 14519.4070 236.3171 -203745.0804 2912.7134 0.0000 0.0000 52289.0991 -109332.5600 300.5062 -161621.6591 -108963.2595 299.7909 -0.9632 32.8729 760191.5595 -6.4653 -6.3552 PRESSURE: 385800 51.2402 -33.7044 160.184 -33.7041 -72.4848 -122.934 160.184 -122.933 215.918 GPRESSURE: 385800 117.584 1.51474 141.566 -65.899 -103.936 -32.1976 234.183 -146.837 291.997 PRESSAVG: 385800 8.76228 -15.3611 32.0199 -15.3611 9.09774 -19.5794 32.02 -19.5795 -9.34951 GPRESSAVG: 385800 8.1112 -14.9693 32.0395 -16.6525 8.80555 -20.6047 33.9946 -20.6562 -8.36416 TIMING: 385800 CPU: 1218.45, 0.00315749/step Wall: 1218.45, 0.00315749/step, 4.04703 hours remaining, 232.332031 MB of memory in use. ENERGY: 385800 4003.7759 20704.3410 14466.0236 258.9330 -203242.2140 2504.9258 0.0000 0.0000 52108.0063 -109196.2083 299.4654 -161304.2147 -108828.6236 299.4589 64.8910 101.8818 761178.9837 2.8368 2.8509 PRESSURE: 386000 -232.438 20.1737 -123.564 20.1737 -83.5346 56.8579 -123.564 56.859 -198.648 GPRESSURE: 386000 -272.638 -2.65961 -133.534 9.06452 42.0543 -4.81785 -132.556 144.472 -199.033 PRESSAVG: 386000 25.1799 -46.7767 -22.2218 -46.7766 -14.9228 -68.5654 -22.2218 -68.5654 -0.196946 GPRESSAVG: 386000 24.7075 -47.1228 -24.4088 -46.6611 -12.9752 -69.0762 -23.4215 -68.6228 -1.94405 TIMING: 386000 CPU: 1219.08, 0.00315126/step Wall: 1219.08, 0.00315126/step, 4.03886 hours remaining, 232.332031 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: 386000 3953.5955 20564.9868 14426.4196 265.6914 -203547.9820 2781.3066 0.0000 0.0000 52358.0325 -109197.9497 300.9023 -161555.9821 -108832.0788 299.4426 -171.5404 -143.2055 760979.0916 3.3534 3.2627 PRESSURE: 386200 -311.044 16.208 -68.8833 16.208 -197.916 37.0457 -68.8831 37.0451 -103.749 GPRESSURE: 386200 -252.408 -22.5757 -106.337 177.631 -242.46 125.099 -106.414 36.8541 -57.6966 PRESSAVG: 386200 6.13895 -37.7878 -7.58549 -37.7878 22.1689 22.3763 -7.58552 22.3762 8.51759 GPRESSAVG: 386200 4.51187 -36.7058 -6.27122 -37.364 22.0628 24.7335 -5.87137 22.697 9.92071 TIMING: 386200 CPU: 1219.71, 0.003141/step Wall: 1219.71, 0.003141/step, 4.02554 hours remaining, 232.332031 MB of memory in use. ENERGY: 386200 3982.5847 20566.5427 14478.9717 245.3270 -203105.9353 2347.9489 0.0000 0.0000 52198.7304 -109285.8298 299.9868 -161484.5602 -108916.2290 299.8469 -204.2363 -184.1879 761703.8576 12.2751 12.1651 PRESSURE: 386400 -61.2141 -89.632 210.497 -89.6318 -257.41 54.3167 210.496 54.3159 326.748 GPRESSURE: 386400 -78.1683 -146.256 131.853 -73.1416 -171.129 92.3571 214.157 80.8659 343.797 PRESSAVG: 386400 41.3072 40.6857 11.1802 40.6857 -24.9935 -15.7346 11.1803 -15.7346 -6.28785 GPRESSAVG: 386400 42.3169 40.2478 12.1239 41.1386 -26.6368 -16.9775 9.8692 -16.6355 -6.36267 TIMING: 386400 CPU: 1220.34, 0.00315966/step Wall: 1220.34, 0.00315966/step, 4.04927 hours remaining, 232.332031 MB of memory in use. ENERGY: 386400 4012.7471 20545.8509 14430.5829 223.9244 -202990.5748 2444.6527 0.0000 0.0000 51997.6728 -109335.1440 298.8313 -161332.8168 -108971.5464 299.6614 2.7080 31.5000 762628.8325 3.3419 3.1058 PRESSURE: 386600 -8.37188 -134.792 -46.063 -134.792 -76.5514 -96.181 -46.0632 -96.1803 61.4139 GPRESSURE: 386600 35.2465 -119.623 -6.98061 -172.112 -65.1944 -112.223 -24.5069 21.4304 94.4201 PRESSAVG: 386600 74.8097 -26.0866 -5.20554 -26.0867 -84.0544 -88.5578 -5.20556 -88.5578 -10.3405 GPRESSAVG: 386600 73.9574 -27.0108 -6.28384 -24.4365 -83.0114 -89.6344 -4.47984 -86.1185 -10.0307 TIMING: 386600 CPU: 1220.97, 0.00316156/step Wall: 1220.97, 0.00316156/step, 4.05153 hours remaining, 232.332031 MB of memory in use. ENERGY: 386600 3890.2177 20410.8285 14444.2604 261.2004 -203367.7129 2766.7907 0.0000 0.0000 52126.0499 -109468.3652 299.5691 -161594.4151 -109104.3304 299.3328 -7.8365 21.4907 763562.7773 -6.5284 -6.3616 PRESSURE: 386800 16.1501 -174.605 70.397 -174.605 -25.0595 232.532 70.3975 232.532 14.9978 GPRESSURE: 386800 1.58836 -135.929 40.7674 -244.073 19.3732 267.103 104.169 115.447 48.2149 PRESSAVG: 386800 -23.0202 -12.0619 -47.937 -12.0618 32.4163 35.6331 -47.937 35.6331 -5.73011 GPRESSAVG: 386800 -22.5009 -10.998 -44.4808 -12.9979 32.3596 35.3294 -51.3622 33.2415 -6.87042 TIMING: 386800 CPU: 1221.6, 0.00316142/step Wall: 1221.6, 0.00316142/step, 4.05119 hours remaining, 232.332031 MB of memory in use. ENERGY: 386800 4016.4746 20574.3136 14423.3376 238.1058 -202978.1086 2565.9047 0.0000 0.0000 51788.1208 -109371.8516 297.6270 -161159.9724 -109012.0774 298.9349 2.0294 23.0588 762792.5969 1.2220 0.9961 PRESSURE: 387000 324.121 -39.6096 75.1911 -39.6096 -75.2804 17.9794 75.1916 17.9797 215.769 GPRESSURE: 387000 386.324 -50.9143 161.458 -5.4802 39.9461 -28.0939 -10.1456 -43.2384 118.177 PRESSAVG: 387000 27.1978 2.1643 -17.3622 2.16428 -8.92034 5.04486 -17.3621 5.0449 3.95109 GPRESSAVG: 387000 28.618 1.07955 -19.5796 2.21541 -10.6788 5.20731 -15.3868 6.49941 4.21396 TIMING: 387000 CPU: 1222.23, 0.00314693/step Wall: 1222.23, 0.00314693/step, 4.03244 hours remaining, 232.332031 MB of memory in use. ENERGY: 387000 3997.6412 20560.3973 14421.3887 239.5971 -203736.5822 3108.5675 0.0000 0.0000 51973.3535 -109435.6368 298.6916 -161408.9903 -109080.5680 299.1109 154.8699 181.4825 762602.8527 7.4095 7.3844 PRESSURE: 387200 130.412 308.521 -309.378 308.52 164.811 81.4362 -309.378 81.4353 449.128 GPRESSURE: 387200 134.12 241.329 -308.82 221.107 293.903 63.2986 -438.351 1.0778 398.135 PRESSAVG: 387200 13.1309 -26.1175 -31.9905 -26.1176 -44.3047 -38.9579 -31.9905 -38.9579 -5.44234 GPRESSAVG: 387200 10.5522 -28.1214 -34.9407 -26.3968 -42.4667 -38.0664 -31.372 -39.6411 -4.03588 TIMING: 387200 CPU: 1222.86, 0.00313883/step Wall: 1222.86, 0.00313883/step, 4.02188 hours remaining, 232.332031 MB of memory in use. ENERGY: 387200 4103.0702 20448.1325 14505.0828 240.0557 -203447.2354 2732.4671 0.0000 0.0000 52170.8356 -109247.5916 299.8265 -161418.4272 -108884.9175 299.2868 248.1169 275.3861 762699.1879 -12.2054 -11.9835 PRESSURE: 387400 299.608 -252.769 -93.1408 -252.77 26.1544 16.8349 -93.1411 16.8356 66.6481 GPRESSURE: 387400 313.202 -178.673 -118.922 -331.935 139.566 99.4151 -75.1381 5.04504 30.1479 PRESSAVG: 387400 28.0434 -6.66483 -74.4994 -6.66488 -5.47716 32.7662 -74.4995 32.7662 12.3963 GPRESSAVG: 387400 28.8731 -6.17045 -72.5258 -7.71524 -5.22829 33.9992 -74.1435 30.819 11.2486 TIMING: 387400 CPU: 1223.49, 0.00315175/step Wall: 1223.49, 0.00315175/step, 4.03827 hours remaining, 232.332031 MB of memory in use. ENERGY: 387400 3976.9622 20506.5262 14434.5006 248.2993 -202939.0850 2574.1464 0.0000 0.0000 51804.1147 -109394.5355 297.7190 -161198.6503 -109037.8033 298.8481 130.8036 160.9720 763632.4434 11.6542 11.6312 PRESSURE: 387600 34.077 -69.1376 -153.917 -69.1375 255.645 -189.988 -153.917 -189.988 473.851 GPRESSURE: 387600 52.0054 -120.931 -142.514 -26.0847 313.176 -186.25 -128.456 -170.888 465.805 PRESSAVG: 387600 5.05221 -40.3294 -71.0125 -40.3294 11.8709 -20.4571 -71.0125 -20.4571 9.89836 GPRESSAVG: 387600 4.73758 -39.2059 -71.2342 -39.2112 12.1804 -21.8647 -71.2793 -19.6126 9.93 TIMING: 387600 CPU: 1224.12, 0.00315247/step Wall: 1224.12, 0.00315247/step, 4.03902 hours remaining, 232.332031 MB of memory in use. ENERGY: 387600 3954.5028 20507.9510 14508.9951 221.3977 -203511.5331 2975.6857 0.0000 0.0000 51979.9285 -109363.0723 298.7294 -161343.0008 -109022.4705 298.5274 254.5244 276.9955 763866.9482 8.9405 8.9493 PRESSURE: 387800 17.563 -130.558 176.998 -130.558 164.828 -74.1993 176.998 -74.1986 83.5208 GPRESSURE: 387800 114.107 -105.436 187.992 -29.9347 129.045 -42.4707 131.446 -32.5511 101.94 PRESSAVG: 387800 22.0156 -54.9709 0.793657 -54.971 17.1168 -91.3296 0.793709 -91.3296 -8.56677 GPRESSAVG: 387800 23.3982 -56.3401 1.84398 -54.1311 15.7473 -90.8512 1.18069 -89.6111 -8.72219 TIMING: 387800 CPU: 1224.75, 0.00315895/step Wall: 1224.75, 0.00315895/step, 4.04714 hours remaining, 232.332031 MB of memory in use. ENERGY: 387800 4023.0845 20614.7710 14482.6531 243.8844 -203122.5957 2514.8523 0.0000 0.0000 52050.5084 -109192.8420 299.1350 -161243.3504 -108835.8041 299.6329 88.6374 115.0308 763592.9385 10.1886 10.1411 PRESSURE: 388000 18.0423 -214.896 239.948 -214.895 36.1674 -240.519 239.946 -240.519 -362.603 GPRESSURE: 388000 132.982 -210.716 260.19 -205.806 -46.3283 -276.609 105.307 -86.7612 -289.083 PRESSAVG: 388000 23.3305 -17.4786 34.5538 -17.4786 -24.9394 -24.2087 34.5537 -24.2087 1.2919 GPRESSAVG: 388000 22.7717 -14.7825 35.1551 -19.6026 -25.3409 -24.5748 32.4792 -24.9089 2.67128 TIMING: 388000 CPU: 1225.39, 0.00316271/step Wall: 1225.39, 0.00316271/step, 4.05178 hours remaining, 232.332031 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: 388000 3935.5105 20374.5786 14549.1927 251.4774 -203365.3680 2862.5528 0.0000 0.0000 52066.4610 -109325.5950 299.2267 -161392.0560 -108963.4747 299.0696 -102.7979 -67.4765 763537.8085 -0.1057 0.0340 PRESSURE: 388200 82.7183 143.462 118.401 143.462 -167.928 88.5727 118.402 88.5728 -133.1 GPRESSURE: 388200 102.227 108.272 46.6457 42.0905 -84.4789 157.384 207.022 185.945 -125.265 PRESSAVG: 388200 2.62888 -39.7373 45.5321 -39.7374 -39.5774 -41.8875 45.5322 -41.8875 -11.0168 GPRESSAVG: 388200 3.06681 -41.6871 44.9497 -39.0232 -39.078 -41.9875 45.6291 -39.791 -11.8248 TIMING: 388200 CPU: 1226.01, 0.00314232/step Wall: 1226.01, 0.00314232/step, 4.02549 hours remaining, 232.332031 MB of memory in use. ENERGY: 388200 3977.5803 20460.6518 14498.9904 251.8474 -202749.4227 2364.4309 0.0000 0.0000 52089.7476 -109106.1744 299.3605 -161195.9220 -108744.2440 299.4055 -72.7698 -35.8387 763445.0201 -15.9884 -15.9453 LDB: ============= START OF LOAD BALANCING ============== 1238.55 LDB: ============== END OF LOAD BALANCING =============== 1238.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1238.55 LDB: ============= START OF LOAD BALANCING ============== 1238.86 LDB: Largest compute 7076 load 0.030232 is 15.5% of average load 0.195165 LDB: Average compute 0.004380 is 2.2% of average load 0.195165 LDB: TIME 1238.87 LOAD: AVG 0.195165 MAX 0.214855 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.129 MB LDB: TIME 1238.87 LOAD: AVG 0.195165 MAX 0.214855 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.129 MB LDB: TIME 1238.87 LOAD: AVG 0.195165 MAX 0.214855 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.129 MB LDB: ============== END OF LOAD BALANCING =============== 1238.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1238.87 PRESSURE: 388400 255.965 -140.998 78.7336 -140.998 35.0008 64.1017 78.7331 64.1034 53.1229 GPRESSURE: 388400 228.288 -45.0587 -58.8774 -198.924 160.436 -2.77601 146.81 -89.2722 21.4061 PRESSAVG: 388400 41.1021 -5.75439 -12.7383 -5.75438 -49.7044 9.97166 -12.7384 9.9717 6.89901 GPRESSAVG: 388400 41.9335 -6.03649 -13.4319 -5.44474 -50.5726 10.1341 -12.8321 8.77683 6.75531 TIMING: 388400 CPU: 1226.66, 0.00321481/step Wall: 1226.66, 0.00321481/step, 4.11817 hours remaining, 233.664062 MB of memory in use. ENERGY: 388400 3971.9447 20417.5543 14505.5688 242.7601 -203131.4061 2670.0530 0.0000 0.0000 52108.4521 -109215.0729 299.4680 -161323.5251 -108853.3026 299.6052 114.6963 136.7099 763732.4783 -0.5677 -0.6279 PRESSURE: 388600 -0.861051 0.622708 237.76 0.622711 -454.965 47.2678 237.76 47.2674 -310.757 GPRESSURE: 388600 -9.60116 124.93 220.441 54.6209 -408.402 87.8034 244.012 65.8729 -256.438 PRESSAVG: 388600 33.9416 -33.6273 22.6504 -33.6273 -26.3194 -6.97395 22.6504 -6.9739 6.88697 GPRESSAVG: 388600 32.6234 -32.1225 23.4622 -33.8151 -24.7679 -6.81786 22.8061 -7.33537 6.72999 TIMING: 388600 CPU: 1227.29, 0.00315308/step Wall: 1227.29, 0.00315308/step, 4.03892 hours remaining, 233.867188 MB of memory in use. ENERGY: 388600 3990.9533 20466.9240 14452.9585 244.6807 -203319.6278 2600.0663 0.0000 0.0000 52487.9704 -109076.0745 301.6491 -161564.0449 -108718.8539 300.1177 -255.5276 -224.8140 764221.0104 4.8364 4.8618 PRESSURE: 388800 -128.338 29.8148 34.1776 29.8157 76.082 -160.132 34.1765 -160.133 -419.309 GPRESSURE: 388800 -156.047 -47.1926 25.5732 41.1555 109.277 -163.886 126.036 -118.97 -358.798 PRESSAVG: 388800 19.829 23.9247 -23.7992 23.9247 11.9482 -21.7485 -23.7993 -21.7484 -9.15608 GPRESSAVG: 388800 19.1358 24.124 -25.7556 23.5562 12.6584 -20.0309 -22.1397 -22.1745 -8.85922 TIMING: 388800 CPU: 1227.91, 0.00313147/step Wall: 1227.91, 0.00313147/step, 4.01107 hours remaining, 234.058594 MB of memory in use. ENERGY: 388800 3931.9668 20667.6917 14494.3188 240.7393 -203252.4502 2680.0180 0.0000 0.0000 52087.6498 -109150.0658 299.3484 -161237.7156 -108779.4289 299.9260 -157.1881 -135.1895 763087.7791 7.5404 7.6450 PRESSURE: 389000 70.7048 55.415 179.692 55.4142 119.673 -165.379 179.692 -165.379 -39.0126 GPRESSURE: 389000 71.8633 80.0283 261.851 123.277 182.263 -139.625 24.1395 -163.08 -14.4302 PRESSAVG: 389000 52.3772 9.26079 0.864861 9.26077 43.7194 -24.0968 0.864836 -24.0968 -24.6914 GPRESSAVG: 389000 54.1827 8.96671 3.01231 9.64373 44.1376 -24.2162 0.165464 -25 -26.6944 TIMING: 389000 CPU: 1228.54, 0.00313454/step Wall: 1228.54, 0.00313454/step, 4.01482 hours remaining, 234.250000 MB of memory in use. ENERGY: 389000 3949.8569 20532.5354 14477.2735 244.8294 -203432.2048 2675.3701 0.0000 0.0000 52209.7465 -109342.5929 300.0501 -161552.3394 -108964.0919 299.3213 50.4550 79.8985 761750.9797 23.8017 23.8753 PRESSURE: 389200 -84.5061 4.25364 109.408 4.25263 159.394 176.102 109.408 176.102 128.669 GPRESSURE: 389200 -41.343 23.9822 82.5513 31.206 172.508 122.077 -19.7685 48.5961 156.094 PRESSAVG: 389200 -15.7 23.0335 39.8487 23.0335 13.9917 -27.8516 39.8487 -27.8516 17.8809 GPRESSAVG: 389200 -14.8493 22.4783 38.6872 23.7373 10.88 -28.5363 38.4333 -27.6011 19.738 TIMING: 389200 CPU: 1229.17, 0.00313757/step Wall: 1229.17, 0.00313757/step, 4.01853 hours remaining, 234.250000 MB of memory in use. ENERGY: 389200 3990.8870 20427.1670 14498.1377 238.6116 -203151.6821 2575.2307 0.0000 0.0000 52187.0027 -109234.6453 299.9194 -161421.6481 -108866.4746 298.7743 67.8524 95.7530 762972.4904 5.3909 5.2563 PRESSURE: 389400 114.949 -148.21 -294.265 -148.21 -155.664 198.356 -294.265 198.355 68.0823 GPRESSURE: 389400 245.333 -139.338 -376.735 55.5837 -178.962 207.938 -205.039 13.5331 63.1468 PRESSAVG: 389400 1.97813 -13.9307 3.96325 -13.9307 -21.7986 31.1316 3.96326 31.1316 12.8266 GPRESSAVG: 389400 0.819632 -15.279 3.20377 -11.7777 -20.8324 30.7893 4.23025 30.3372 12.9262 TIMING: 389400 CPU: 1229.79, 0.00312417/step Wall: 1229.79, 0.00312417/step, 4.0012 hours remaining, 234.250000 MB of memory in use. ENERGY: 389400 4110.5526 20554.3743 14489.6981 231.0217 -203149.8546 2498.7748 0.0000 0.0000 52168.4012 -109097.0319 299.8125 -161265.4331 -108741.9879 299.6742 9.1222 43.1725 763193.3930 -2.3313 -2.3622 PRESSURE: 389600 -67.8114 307.012 -156.955 307.012 235.05 -226.17 -156.956 -226.171 -121.576 GPRESSURE: 389600 5.13786 302.142 -182.291 267.47 266.437 -189.569 -87.7679 -128.397 -130.738 PRESSAVG: 389600 0.0725529 50.6316 -29.5456 50.6316 3.34128 -31.1567 -29.5456 -31.1566 -4.13207 GPRESSAVG: 389600 0.0963976 52.9879 -30.1703 48.5397 3.63264 -32.4277 -26.5404 -29.2412 -4.42276 TIMING: 389600 CPU: 1230.42, 0.00314648/step Wall: 1230.42, 0.00314648/step, 4.02959 hours remaining, 234.250000 MB of memory in use. ENERGY: 389600 4100.2485 20422.3957 14517.8860 245.3793 -203815.1423 3028.0459 0.0000 0.0000 52345.1676 -109156.0192 300.8284 -161501.1868 -108795.7185 299.9556 15.2208 46.9458 762170.9965 -0.2394 -0.2312 PRESSURE: 389800 55.1251 -149.161 130.824 -149.161 239.857 -62.2064 130.824 -62.2057 -113.024 GPRESSURE: 389800 36.868 -182.496 130.829 -183.703 309.119 -96.8755 67.8904 -128.747 -69.3874 PRESSAVG: 389800 -16.0805 17.9464 -2.12058 17.9464 17.5323 -59.9917 -2.12054 -59.9917 1.12692 GPRESSAVG: 389800 -16.8555 17.8939 0.48414 17.2048 18.7166 -59.7665 -3.01752 -59.346 1.05185 TIMING: 389800 CPU: 1231.05, 0.0031489/step Wall: 1231.05, 0.0031489/step, 4.03252 hours remaining, 234.250000 MB of memory in use. ENERGY: 389800 3976.3572 20651.8680 14477.7769 272.3962 -203196.1517 2832.7619 0.0000 0.0000 51939.0489 -109045.9426 298.4944 -160984.9915 -108683.5589 300.2977 60.6528 92.2000 764756.9712 0.8596 0.9710 PRESSURE: 390000 -482.274 -50.2374 417.974 -50.2369 -336.103 65.8607 417.974 65.8615 -278.456 GPRESSURE: 390000 -384.108 -56.0121 377.815 -63.2518 -304.912 65.1342 324.043 36.5964 -312.834 PRESSAVG: 390000 -14.3125 -7.60586 -36.6124 -7.60584 41.5898 -20.856 -36.6124 -20.856 10.559 GPRESSAVG: 390000 -12.7535 -10.1239 -37.4733 -3.4298 40.0439 -20.5292 -36.4155 -19.5032 11.0227 TIMING: 390000 CPU: 1231.68, 0.00313877/step Wall: 1231.68, 0.00313877/step, 4.01937 hours remaining, 234.250000 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: 390000 4034.6806 20467.5742 14525.6235 243.0636 -202821.3088 2301.8782 0.0000 0.0000 52073.9241 -109174.5646 299.2696 -161248.4887 -108808.1030 299.6203 -365.6109 -333.9511 763552.8445 12.6121 12.7711 PRESSURE: 390200 73.3909 -72.1933 89.408 -72.1929 -64.6337 159.149 89.4081 159.149 281.23 GPRESSURE: 390200 52.7225 -158.178 185.689 -120.006 57.9857 153.995 72.1652 119.889 259.33 PRESSAVG: 390200 -29.9979 7.22774 -8.93071 7.22775 37.096 43.2981 -8.93073 43.2982 -37.4687 GPRESSAVG: 390200 -30.4993 8.48334 -8.36983 5.68114 37.4873 44.8387 -11.0664 39.9772 -37.1257 TIMING: 390200 CPU: 1232.31, 0.00315773/step Wall: 1232.31, 0.00315773/step, 4.04347 hours remaining, 234.273438 MB of memory in use. ENERGY: 390200 3949.5294 20612.5041 14461.1810 242.1946 -202784.6202 2323.5902 0.0000 0.0000 51935.9937 -109259.6272 298.4769 -161195.6209 -108891.7205 299.6629 96.6622 123.3462 763698.2526 -10.1236 -10.0459 PRESSURE: 390400 -159.772 -54.8698 -59.8853 -54.8694 -68.1873 -159.873 -59.8857 -159.873 92.7265 GPRESSURE: 390400 -189.783 -4.16736 52.3102 81.7723 0.00700696 -130.107 2.01937 -194.841 126.723 PRESSAVG: 390400 57.7104 -16.3881 10.8062 -16.3881 9.71457 13.7109 10.8061 13.711 -1.08591 GPRESSAVG: 390400 58.3498 -15.6021 11.3407 -19.1187 8.81876 12.4017 10.4906 13.6234 -1.16558 TIMING: 390400 CPU: 1232.94, 0.00316429/step Wall: 1232.94, 0.00316429/step, 4.05169 hours remaining, 234.273438 MB of memory in use. ENERGY: 390400 4055.3547 20514.6818 14486.0861 242.1514 -203638.9138 2919.4687 0.0000 0.0000 52142.9031 -109278.2680 299.6660 -161421.1711 -108914.0439 299.5706 -45.0775 -21.0177 762055.9271 22.1130 22.0010 PRESSURE: 390600 272.322 -106.162 -150.175 -106.162 -190.61 43.9465 -150.175 43.9477 9.34926 GPRESSURE: 390600 267.721 -122.319 -239.094 -74.8563 -155.258 77.0574 -16.6679 127.23 62.4303 PRESSAVG: 390600 34.1041 -5.38408 39.7099 -5.38407 -37.7485 14.2758 39.7099 14.2758 -12.4286 GPRESSAVG: 390600 33.502 -3.8211 39.4371 -3.21095 -36.1779 15.2152 42.0205 14.2959 -12.8282 TIMING: 390600 CPU: 1233.58, 0.0031709/step Wall: 1233.58, 0.0031709/step, 4.05999 hours remaining, 234.273438 MB of memory in use. ENERGY: 390600 3956.9796 20520.2581 14443.1422 240.5812 -203291.9327 2595.8799 0.0000 0.0000 52256.3431 -109278.7486 300.3179 -161535.0918 -108919.3528 299.6950 30.3538 58.2979 761975.1440 -5.3577 -5.1680 PRESSURE: 390800 -215.049 -31.2677 107.328 -31.2668 -162.451 35.8588 107.328 35.86 -140.441 GPRESSURE: 390800 -44.3988 -70.8172 38.6288 32.0022 -174.984 7.49783 60.6764 34.1836 -196.727 PRESSAVG: 390800 -27.2252 49.8324 1.85759 49.8324 21.7211 -61.3063 1.85768 -61.3062 24.025 GPRESSAVG: 390800 -26.9107 47.7085 1.10655 49.8232 20.779 -61.3652 0.995345 -60.16 24.6798 TIMING: 390800 CPU: 1234.21, 0.00315043/step Wall: 1234.21, 0.00315043/step, 4.0336 hours remaining, 234.273438 MB of memory in use. ENERGY: 390800 3966.6551 20528.0261 14492.9440 237.1014 -203466.9012 2775.3659 0.0000 0.0000 52268.7394 -109198.0692 300.3892 -161466.8087 -108837.9443 299.6184 -172.6471 -138.7034 763013.2316 6.1737 6.1827 PRESSURE: 391000 50.7734 -107.13 37.3291 -107.132 -20.5086 17.8429 37.33 17.8442 232.939 GPRESSURE: 391000 62.245 -48.3441 -4.79705 -126.593 -17.484 141.88 76.7908 -31.1407 294.611 PRESSAVG: 391000 -21.8205 26.7034 -24.848 26.7034 32.215 19.9584 -24.8481 19.9584 2.61977 GPRESSAVG: 391000 -22.0139 26.5929 -25.8014 25.4476 32.5141 19.4912 -24.5384 19.925 1.89319 TIMING: 391000 CPU: 1234.84, 0.00316168/step Wall: 1234.84, 0.00316168/step, 4.04782 hours remaining, 234.273438 MB of memory in use. ENERGY: 391000 3903.6803 20622.0798 14433.3267 264.6921 -203144.8971 2706.7693 0.0000 0.0000 52160.6571 -109053.6919 299.7680 -161214.3490 -108697.8300 299.9994 87.7345 113.1238 761022.8237 4.3381 4.1311 PRESSURE: 391200 -154.386 79.3222 -43.4074 79.3223 -155.588 -67.4204 -43.4066 -67.4198 -58.6169 GPRESSURE: 391200 -35.3562 153.709 -82.7125 66.5252 -122.549 -71.7497 16.3166 -109.401 -123.106 PRESSAVG: 391200 -37.0163 -20.037 -6.83224 -20.037 31.3353 31.484 -6.83224 31.484 -15.7197 GPRESSAVG: 391200 -37.9124 -20.4254 -8.21853 -19.0869 31.5457 33.0413 -3.99284 30.8991 -14.9219 TIMING: 391200 CPU: 1235.48, 0.0031824/step Wall: 1235.48, 0.0031824/step, 4.07418 hours remaining, 234.273438 MB of memory in use. ENERGY: 391200 3985.0432 20528.5740 14471.8115 246.9574 -203003.5931 2312.3526 0.0000 0.0000 52428.6291 -109030.2254 301.3081 -161458.8544 -108658.6893 300.1614 -122.8634 -93.6703 761637.8404 -7.1336 -7.0962 PRESSURE: 391400 143.516 113.944 -278.684 113.944 570.196 -147.094 -278.684 -147.094 633.932 GPRESSURE: 391400 198.8 90.2448 -290.347 92.6981 606.341 -48.2088 -284.15 -173.321 613.188 PRESSAVG: 391400 -9.66059 -0.566789 -32.7789 -0.566838 2.91098 -25.5981 -32.7789 -25.598 -19.5592 GPRESSAVG: 391400 -9.26481 2.03395 -32.1987 1.14417 2.72533 -26.0351 -35.1953 -25.7153 -19.9518 TIMING: 391400 CPU: 1236.12, 0.00319264/step Wall: 1236.12, 0.00319264/step, 4.08711 hours remaining, 234.273438 MB of memory in use. ENERGY: 391400 3967.1399 20528.5994 14419.0053 267.9782 -203513.1056 3034.8572 0.0000 0.0000 52235.0519 -109060.4737 300.1956 -161295.5257 -108696.2745 300.0365 449.2146 472.7762 761285.8577 -8.7696 -8.8304 PRESSURE: 391600 19.2501 79.5806 -231.136 79.5797 -80.6197 148.126 -231.135 148.127 668.855 GPRESSURE: 391600 6.80632 86.8289 -183.156 -5.0365 43.293 118.035 -157.174 182.181 656.154 PRESSAVG: 391600 -15.1848 5.9164 -23.5631 5.91636 0.866357 -22.5308 -23.5631 -22.5309 -9.7565 GPRESSAVG: 391600 -15.434 4.80698 -22.9958 3.49292 0.689364 -23.582 -22.4822 -22.4858 -9.19055 TIMING: 391600 CPU: 1236.75, 0.00318249/step Wall: 1236.75, 0.00318249/step, 4.07394 hours remaining, 234.273438 MB of memory in use. ENERGY: 391600 3966.6756 20692.7525 14459.9250 258.6533 -203365.6395 2801.9409 0.0000 0.0000 52058.6800 -109127.0123 299.1819 -161185.6923 -108760.8982 299.8712 202.4951 235.4179 761993.0863 -8.0250 -7.9784 PRESSURE: 391800 119.871 183.307 -0.765958 183.306 -216.764 -153.734 -0.766193 -153.733 231.987 GPRESSURE: 391800 111.753 96.8005 21.0281 88.3989 -146.276 -109.094 10.7481 -195.802 255.788 PRESSAVG: 391800 -20.3739 18.9585 -24.5753 18.9586 7.3833 12.9427 -24.5753 12.9426 12.8972 GPRESSAVG: 391800 -19.5245 16.1251 -24.1128 20.8509 7.2749 14.2237 -25.2733 12.6228 12.0079 TIMING: 391800 CPU: 1237.39, 0.00316473/step Wall: 1237.39, 0.00316473/step, 4.05103 hours remaining, 234.273438 MB of memory in use. ENERGY: 391800 3949.9506 20419.8477 14493.7222 246.9915 -202873.8233 2611.2021 0.0000 0.0000 52088.1466 -109063.9625 299.3513 -161152.1092 -108701.9639 299.6594 45.0314 73.7551 764834.3631 -0.0311 -0.0806 PRESSURE: 392000 132.789 -21.4181 64.2277 -21.419 -31.4763 22.1163 64.227 22.1174 483.687 GPRESSURE: 392000 169.854 69.3284 154.362 -12.1951 57.0198 -41.0618 -41.6388 -14.3274 444.321 PRESSAVG: 392000 17.8224 44.5656 -17.7865 44.5656 13.169 0.844563 -17.7864 0.844557 24.1006 GPRESSAVG: 392000 17.4957 46.4971 -17.3711 44.2185 13.511 -0.737394 -15.7118 1.61854 23.5363 TIMING: 392000 CPU: 1238.02, 0.00317353/step Wall: 1238.02, 0.00317353/step, 4.06211 hours remaining, 234.273438 MB of memory 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 4001.9594 20483.2098 14588.8689 228.9147 -203324.6236 2737.1456 0.0000 0.0000 52096.1100 -109188.4152 299.3971 -161284.5252 -108814.7370 299.4501 195.0001 223.7317 763655.5468 18.3640 18.1810 PRESSURE: 392200 33.6405 45.884 202.328 45.8839 218.783 -30.7473 202.328 -30.7473 43.5275 GPRESSURE: 392200 134.288 -110.695 245.516 16.4539 214.572 18.4656 78.1692 35.9229 44.3159 PRESSAVG: 392200 5.21752 -3.35819 6.31119 -3.35807 -23.6733 -20.9577 6.31116 -20.9577 -17.6807 GPRESSAVG: 392200 4.01921 -2.54687 4.47243 -4.59475 -22.8174 -20.6452 3.04665 -19.7947 -17.3432 TIMING: 392200 CPU: 1238.65, 0.00317031/step Wall: 1238.65, 0.00317031/step, 4.05782 hours remaining, 234.273438 MB of memory in use. ENERGY: 392200 3970.6454 20471.5064 14450.1933 255.8571 -202799.6627 2517.5737 0.0000 0.0000 51990.5850 -109143.3018 298.7906 -161133.8868 -108783.6021 299.2152 98.6503 131.0587 762740.0511 -12.0455 -12.0471 LDB: ============= START OF LOAD BALANCING ============== 1251.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1251.19 LDB: =============== DONE WITH MIGRATION ================ 1251.19 LDB: ============= START OF LOAD BALANCING ============== 1251.51 LDB: Largest compute 7029 load 0.030240 is 15.5% of average load 0.195221 LDB: Average compute 0.004370 is 2.2% of average load 0.195221 LDB: TIME 1251.51 LOAD: AVG 0.195221 MAX 0.215373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.898 MB LDB: TIME 1251.51 LOAD: AVG 0.195221 MAX 0.215373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.969 MB LDB: TIME 1251.51 LOAD: AVG 0.195221 MAX 0.215373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.969 MB LDB: ============== END OF LOAD BALANCING =============== 1251.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1251.52 PRESSURE: 392400 -166.148 115.799 -67.1178 115.799 31.6237 -49.0077 -67.1176 -49.0083 -99.8389 GPRESSURE: 392400 -100.781 -8.24272 -110.939 -50.562 116.41 -31.7521 -5.97601 -49.6051 -164.175 PRESSAVG: 392400 -7.96339 26.1156 34.511 26.1156 -17.4921 -22.3842 34.5111 -22.3842 -10.0988 GPRESSAVG: 392400 -6.87458 22.8967 35.5596 27.6573 -18.3537 -20.4748 35.7477 -21.2617 -10.1733 TIMING: 392400 CPU: 1239.3, 0.00324112/step Wall: 1239.3, 0.00324112/step, 4.14827 hours remaining, 233.207031 MB of memory in use. ENERGY: 392400 4029.2399 20421.1698 14463.9972 259.1334 -202966.5672 2644.3189 0.0000 0.0000 52040.0317 -109108.6762 299.0748 -161148.7080 -108751.8101 299.3833 -78.1211 -49.5156 764029.2874 -11.8514 -11.8005 PRESSURE: 392600 -226.107 -23.6733 -64.9322 -23.673 -191.747 329.442 -64.9325 329.442 195.932 GPRESSURE: 392600 -196.081 47.7337 -25.6699 -22.5284 -184.596 291.015 -156.774 253.094 230.306 PRESSAVG: 392600 45.0739 64.6408 -7.08875 64.6407 -15.5312 71.3987 -7.08878 71.3988 -11.505 GPRESSAVG: 392600 45.6756 67.2393 -7.15537 64.0063 -16.3493 69.768 -6.8416 68.4385 -11.5553 TIMING: 392600 CPU: 1239.94, 0.00320991/step Wall: 1239.94, 0.00320991/step, 4.10815 hours remaining, 233.605469 MB of memory in use. ENERGY: 392600 3956.0248 20405.1809 14455.4224 239.9171 -203096.6505 2675.8337 0.0000 0.0000 52232.1684 -109132.1031 300.1790 -161364.2715 -108769.4034 299.4511 -73.9741 -50.1239 764362.5080 6.0126 5.9237 PRESSURE: 392800 494.83 54.985 241.357 54.9858 369.742 -222.507 241.357 -222.507 109.968 GPRESSURE: 392800 535.548 73.1697 277.408 108.809 352.097 -253.614 331.992 -223.164 187.586 PRESSAVG: 392800 2.06243 21.6183 -27.4304 21.6183 7.28584 -22.2573 -27.4304 -22.2573 8.14384 GPRESSAVG: 392800 0.624716 19.1662 -27.5546 22.4263 8.29167 -20.6457 -26.9362 -20.9416 8.60789 TIMING: 392800 CPU: 1240.59, 0.00321134/step Wall: 1240.59, 0.00321134/step, 4.1098 hours remaining, 233.605469 MB of memory in use. ENERGY: 392800 4016.4250 20619.5318 14540.1010 250.8981 -203739.1414 3240.5191 0.0000 0.0000 51823.0810 -109248.5853 297.8280 -161071.6663 -108893.9893 299.5636 324.8465 358.4105 762715.8569 5.8307 5.8414 PRESSURE: 393000 -50.435 122.513 -207.795 122.513 -101.098 44.3097 -207.795 44.3098 145.244 GPRESSURE: 393000 45.4185 -18.9196 -76.1707 3.92461 -58.4311 4.29941 -176.767 50.2121 90.3421 PRESSAVG: 393000 -2.96201 29.9278 -7.55939 29.9279 21.5952 -4.75358 -7.55938 -4.75364 -10.3642 GPRESSAVG: 393000 -1.47805 30.9177 -7.22588 29.6952 20.5133 -5.62168 -8.01958 -5.98346 -10.6969 TIMING: 393000 CPU: 1241.22, 0.00316431/step Wall: 1241.22, 0.00316431/step, 4.04944 hours remaining, 233.605469 MB of memory in use. ENERGY: 393000 4003.4313 20635.1986 14510.8766 240.1101 -203203.5749 2518.7063 0.0000 0.0000 52113.7656 -109181.4864 299.4985 -161295.2520 -108814.4215 299.3057 -2.0964 25.7765 762238.4888 2.7563 2.7795 PRESSURE: 393200 151.211 0.268254 -158.945 0.26717 -20.3405 -153.294 -158.945 -153.295 83.729 GPRESSURE: 393200 99.6886 214.96 -185.237 -87.3741 80.6559 -165.054 -100.504 -6.26262 90.3159 PRESSAVG: 393200 -8.07424 7.55386 -23.9061 7.55393 -10.8636 58.1481 -23.906 58.1482 28.5514 GPRESSAVG: 393200 -7.86327 9.77007 -23.8017 5.60644 -10.5563 58.7442 -24.1384 59.5242 28.1018 TIMING: 393200 CPU: 1241.86, 0.00318844/step Wall: 1241.86, 0.00318844/step, 4.08014 hours remaining, 233.671875 MB of memory in use. ENERGY: 393200 4046.9233 20694.9617 14442.6335 240.6129 -203743.6421 2922.0916 0.0000 0.0000 52259.8084 -109136.6109 300.3378 -161396.4193 -108772.7479 299.7295 71.5331 90.2202 763079.4943 3.2045 3.2274 PRESSURE: 393400 229.797 41.0748 84.1238 41.0743 510.536 1.56997 84.1239 1.56881 637.263 GPRESSURE: 393400 387.62 33.3979 47.2362 36.9134 431.725 107.768 129.251 -39.3752 644.01 PRESSAVG: 393400 35.6522 37.9964 33.2989 37.9964 -17.2866 26.2512 33.2989 26.2512 -17.9487 GPRESSAVG: 393400 33.8599 36.7875 31.9865 38.2091 -16.1493 26.3405 34.689 25.1529 -17.026 TIMING: 393400 CPU: 1242.49, 0.00317048/step Wall: 1242.49, 0.00317048/step, 4.05698 hours remaining, 233.605469 MB of memory in use. ENERGY: 393400 3931.1662 20581.7928 14457.4554 267.1816 -203207.6292 2757.7983 0.0000 0.0000 52060.6546 -109151.5801 299.1933 -161212.2348 -108788.9997 299.5166 459.1985 487.7849 760809.3078 0.1389 0.2282 PRESSURE: 393600 111.664 69.4312 -116.991 69.4302 417.066 -103.351 -116.991 -103.35 -151.267 GPRESSURE: 393600 76.0066 27.2416 -181.474 54.5132 418.673 -38.5435 -58.2612 -28.7161 -24.8083 PRESSAVG: 393600 -9.53817 -7.79904 -11.9311 -7.79902 32.2043 -2.9859 -11.931 -2.98596 -7.51705 GPRESSAVG: 393600 -8.81489 -8.42959 -11.2494 -7.74259 30.9618 -4.44144 -13.3062 -1.60705 -7.47165 TIMING: 393600 CPU: 1243.12, 0.00316602/step Wall: 1243.12, 0.00316602/step, 4.0511 hours remaining, 233.605469 MB of memory in use. ENERGY: 393600 3995.5015 20328.5764 14432.8436 256.6872 -203487.8411 2724.3209 0.0000 0.0000 52375.5840 -109374.3275 301.0032 -161749.9115 -109004.3728 299.4270 125.8210 156.6239 761855.3880 5.0497 4.8918 PRESSURE: 393800 131.865 67.1097 268.669 67.1093 -66.2925 12.6272 268.668 12.6283 -155.821 GPRESSURE: 393800 180.788 -44.6467 249.739 99.9065 -90.0183 -32.3048 262.093 80.6437 -94.942 PRESSAVG: 393800 20.3281 -22.241 42.4289 -22.241 14.5129 -42.2765 42.4289 -42.2765 19.2512 GPRESSAVG: 393800 19.5924 -22.1438 42.5841 -21.7776 14.8674 -41.0337 42.6271 -43.4767 19.4355 TIMING: 393800 CPU: 1243.76, 0.00316437/step Wall: 1243.76, 0.00316437/step, 4.04881 hours remaining, 233.605469 MB of memory in use. ENERGY: 393800 4025.6096 20616.7546 14493.7878 260.2477 -203733.2211 2929.0144 0.0000 0.0000 51947.3936 -109460.4135 298.5424 -161407.8071 -109106.6869 299.2998 -30.0832 -1.3907 761754.2370 18.0307 17.9651 PRESSURE: 394000 96.6422 -92.89 246.335 -92.8901 -56.0867 -32.0039 246.334 -32.0053 -83.1233 GPRESSURE: 394000 135.757 -79.253 193.924 -51.2015 -39.2143 -72.4694 232.794 -58.121 -38.9613 PRESSAVG: 394000 42.3655 -20.4475 8.06709 -20.4475 -29.8928 19.6525 8.06703 19.6524 -8.94625 GPRESSAVG: 394000 41.8537 -21.5979 8.70949 -19.0361 -29.3123 18.8768 9.04639 19.3346 -9.70798 TIMING: 394000 CPU: 1244.4, 0.00318902/step Wall: 1244.4, 0.00318902/step, 4.08017 hours remaining, 233.808594 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: 394000 3989.6277 20472.2757 14441.2230 247.9209 -203484.2380 2991.6426 0.0000 0.0000 51875.6977 -109465.8503 298.1303 -161341.5480 -109101.8454 299.0426 -14.1893 19.1937 761095.5570 1.1755 0.9445 PRESSURE: 394200 350.191 -39.834 -81.1259 -39.834 -213.751 95.957 -81.1267 95.9578 50.2552 GPRESSURE: 394200 279.162 -85.8509 2.75228 -23.62 -98.5794 68.9636 -163.455 226.582 79.2038 PRESSAVG: 394200 -4.50729 22.6304 -32.1472 22.6304 0.202157 -44.4732 -32.1471 -44.4733 6.90229 GPRESSAVG: 394200 -4.44237 21.3649 -31.7395 24.6329 0.984061 -45.5182 -33.6804 -43.6494 6.26401 TIMING: 394200 CPU: 1245.03, 0.00316128/step Wall: 1245.03, 0.00316128/step, 4.04451 hours remaining, 233.808594 MB of memory in use. ENERGY: 394200 3959.9597 20335.9329 14489.8778 236.4109 -203080.6873 2632.1464 0.0000 0.0000 52036.1814 -109390.1780 299.0526 -161426.3595 -109020.4891 298.9999 62.2319 86.5955 761558.8107 0.8657 0.9352 PRESSURE: 394400 -268.966 54.1171 -159.777 54.1171 10.9518 192.083 -159.777 192.083 -372.069 GPRESSURE: 394400 -171.04 3.79104 -36.8058 -52.3723 -36.8368 196.902 -201.18 223.391 -326.169 PRESSAVG: 394400 102.824 4.94472 -37.4004 4.94477 -64.9822 4.59033 -37.4004 4.5903 4.86026 GPRESSAVG: 394400 102.77 5.45455 -38.4026 4.06969 -66.0367 5.76844 -35.8207 4.66749 5.75807 TIMING: 394400 CPU: 1245.66, 0.00314903/step Wall: 1245.66, 0.00314903/step, 4.02866 hours remaining, 233.808594 MB of memory in use. ENERGY: 394400 4085.6875 20429.5132 14503.7173 252.8624 -203030.3707 2495.3248 0.0000 0.0000 51940.6618 -109322.6035 298.5037 -161263.2654 -108964.2609 299.0533 -210.0280 -178.0155 762781.2957 14.2340 14.1640 PRESSURE: 394600 -108.839 -62.7555 -158.729 -62.7559 -153.662 -67.4705 -158.729 -67.4703 -23.36 GPRESSURE: 394600 7.81917 -101.382 -75.2461 89.9566 -209.974 -97.0135 -176.27 -32.4944 23.9883 PRESSAVG: 394600 40.8989 -40.8403 -22.8428 -40.8404 -61.2154 92.2046 -22.8427 92.2046 13.5259 GPRESSAVG: 394600 40.7539 -40.9976 -21.5423 -42.1042 -60.5762 89.651 -24.0808 93.1211 13.0207 TIMING: 394600 CPU: 1246.29, 0.00313737/step Wall: 1246.29, 0.00313737/step, 4.01356 hours remaining, 233.808594 MB of memory in use. ENERGY: 394600 3962.8162 20391.2559 14461.4374 244.4044 -203378.8193 2832.5403 0.0000 0.0000 52109.1322 -109377.2328 299.4719 -161486.3650 -109012.1736 298.9647 -95.2871 -59.3889 763527.6650 -2.2635 -2.2672 PRESSURE: 394800 -78.5598 36.37 -103.669 36.3706 13.3953 134.514 -103.668 134.513 -84.4778 GPRESSURE: 394800 -45.1197 105.39 -26.2547 77.6533 25.2818 112.546 -136.743 47.4911 -48.5701 PRESSAVG: 394800 -22.0199 -20.061 -30.2703 -20.0611 -9.82847 11.5849 -30.2702 11.5848 -15.7599 GPRESSAVG: 394800 -20.3868 -16.4713 -30.8108 -21.8121 -12.2197 13.4939 -31.2252 11.0358 -15.8606 TIMING: 394800 CPU: 1246.91, 0.00313782/step Wall: 1246.91, 0.00313782/step, 4.01397 hours remaining, 233.808594 MB of memory in use. ENERGY: 394800 3937.7403 20676.6691 14469.0676 231.8326 -203387.3940 2721.9929 0.0000 0.0000 52164.6453 -109185.4463 299.7909 -161350.0916 -108828.0709 299.4671 -49.8808 -22.8027 763311.8041 -15.8694 -16.1557 PRESSURE: 395000 167.345 140.382 -132.878 140.383 -318.025 -76.7804 -132.877 -76.7808 75.121 GPRESSURE: 395000 128.326 52.4478 -181.773 133.493 -270.287 -59.326 -131.999 -169.1 138.599 PRESSAVG: 395000 -47.9146 -11.638 37.6559 -11.638 29.0724 -6.00462 37.6559 -6.00462 10.4761 GPRESSAVG: 395000 -49.2328 -13.0304 37.8191 -11.3109 30.448 -7.18003 38.1566 -7.38585 10.6498 TIMING: 395000 CPU: 1247.54, 0.00314865/step Wall: 1247.54, 0.00314865/step, 4.02765 hours remaining, 233.808594 MB of memory in use. ENERGY: 395000 4018.2185 20496.4533 14512.8292 246.9151 -203850.1781 2922.6164 0.0000 0.0000 52353.1181 -109300.0275 300.8741 -161653.1456 -108940.5648 300.1721 -25.1865 -1.1206 763388.9521 -2.7887 -2.7117 PRESSURE: 395200 79.929 284.415 66.5565 284.415 53.1234 50.6387 66.5568 50.639 301.95 GPRESSURE: 395200 -4.64225 254.451 -46.2403 334.448 144.258 77.4041 44.1852 129.695 389.363 PRESSAVG: 395200 1.23101 2.82308 -39.6925 2.82313 -14.1774 -35.3523 -39.6925 -35.3523 -11.2746 GPRESSAVG: 395200 1.25339 2.9238 -40.302 3.0576 -13.9931 -33.5892 -38.9277 -34.3004 -10.609 TIMING: 395200 CPU: 1248.17, 0.00313875/step Wall: 1248.17, 0.00313875/step, 4.01481 hours remaining, 233.808594 MB of memory in use. ENERGY: 395200 3964.6193 20640.9357 14505.3222 264.7696 -203268.7689 2687.1207 0.0000 0.0000 52036.2568 -109169.7446 299.0531 -161206.0014 -108812.8590 299.8516 145.0007 176.3261 761415.6800 -8.0737 -7.7829 PRESSURE: 395400 -169.346 78.2589 -62.5604 78.2587 -30.1402 -59.136 -62.5607 -59.1352 -82.2798 GPRESSURE: 395400 -69.3273 140.099 -62.4933 24.6853 -49.4565 -125.857 -147.281 -33.7241 -68.7407 PRESSAVG: 395400 -20.534 6.34752 -27.1963 6.34751 26.4718 -16.0231 -27.1963 -16.0231 15.0175 GPRESSAVG: 395400 -19.6642 4.93705 -26.849 8.77565 26.7426 -16.4378 -28.02 -18.1271 13.7095 TIMING: 395400 CPU: 1248.8, 0.00314461/step Wall: 1248.8, 0.00314461/step, 4.02213 hours remaining, 233.808594 MB of memory in use. ENERGY: 395400 4008.2795 20437.0647 14580.4143 243.4932 -203575.2757 3044.7969 0.0000 0.0000 52276.9536 -108984.2735 300.4364 -161261.2271 -108623.1555 300.2142 -93.9221 -62.5082 762108.2640 6.9851 6.9293 PRESSURE: 395600 -451.104 39.0296 209.65 39.0302 -134.642 95.0369 209.65 95.0376 -111.103 GPRESSURE: 395600 -397.159 49.4118 153.15 129.063 -100.262 129.276 207.911 136.258 -130.636 PRESSAVG: 395600 -8.26128 10.5614 15.762 10.5614 9.2445 5.58542 15.762 5.58547 16.1525 GPRESSAVG: 395600 -7.24159 10.9361 15.5031 9.35509 8.82142 6.31959 13.5224 8.83122 15.5899 TIMING: 395600 CPU: 1249.43, 0.00316243/step Wall: 1249.43, 0.00316243/step, 4.04475 hours remaining, 233.808594 MB of memory in use. ENERGY: 395600 3922.5553 20606.4119 14441.7182 254.9066 -202602.1694 2252.9743 0.0000 0.0000 52386.4917 -108737.1114 301.0659 -161123.6032 -108369.3932 300.4337 -232.2829 -209.3525 762715.3128 5.7119 5.7232 PRESSURE: 395800 418.885 270.437 107.778 270.437 -99.8476 166.891 107.779 166.891 66.1324 GPRESSURE: 395800 544.074 227.777 114.893 224.285 -85.063 200.753 -6.12979 74.0527 3.67875 PRESSAVG: 395800 -3.95646 30.7993 75.3398 30.7993 8.11559 30.4835 75.3398 30.4835 -1.05838 GPRESSAVG: 395800 -6.12846 30.7071 77.2267 31.9488 8.45529 28.8018 77.5918 29.5209 0.457855 TIMING: 395800 CPU: 1250.07, 0.00317061/step Wall: 1250.07, 0.00317061/step, 4.05503 hours remaining, 233.808594 MB of memory in use. ENERGY: 395800 4047.7768 20647.6623 14515.7572 226.5874 -203239.0191 2764.1583 0.0000 0.0000 52305.9417 -108731.1356 300.6030 -161037.0772 -108361.7625 300.9764 128.3901 154.2299 761693.6118 1.0336 0.9282 PRESSURE: 396000 -303.35 -20.5249 -43.8824 -20.5248 -194.435 -38.5409 -43.883 -38.5399 -209.244 GPRESSURE: 396000 -278.528 35.7054 -20.1187 -3.72824 -134.823 -44.2906 6.62347 -61.2969 -199.092 PRESSAVG: 396000 -40.8709 34.684 -16.7962 34.684 18.1343 9.77214 -16.7962 9.77214 11.6466 GPRESSAVG: 396000 -38.995 35.8207 -16.1487 33.333 17.9289 10.5336 -17.4175 9.08985 10.8184 TIMING: 396000 CPU: 1250.69, 0.00313379/step Wall: 1250.69, 0.00313379/step, 4.00777 hours remaining, 233.808594 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: 396000 4024.2292 20669.5831 14516.1969 250.3434 -203188.5758 2369.9732 0.0000 0.0000 52243.4462 -109114.8038 300.2438 -161358.2501 -108751.2020 300.5079 -235.6763 -204.1477 762445.4935 -3.6967 -3.4159 PRESSURE: 396200 -318.698 65.0334 -169.856 65.0334 -442.135 -122.726 -169.857 -122.726 -283.022 GPRESSURE: 396200 -281.131 87.7741 -194.037 -45.0461 -390.472 -170.363 -167.43 -97.3652 -291.528 PRESSAVG: 396200 11.9807 21.835 -11.2612 21.8349 -33.4748 -18.3504 -11.2612 -18.3504 7.28351 GPRESSAVG: 396200 10.3518 20.4551 -12.837 21.5349 -32.6975 -17.5186 -10.0845 -18.4848 8.06804 TIMING: 396200 CPU: 1251.32, 0.0031529/step Wall: 1251.32, 0.0031529/step, 4.03204 hours remaining, 233.796875 MB of memory in use. ENERGY: 396200 3959.3195 20852.7702 14458.9826 256.1360 -203223.9886 2382.5360 0.0000 0.0000 51996.8816 -109317.3627 298.8268 -161314.2443 -108953.9954 299.9022 -347.9519 -321.0434 763022.6542 -4.7369 -4.7592 LDB: ============= START OF LOAD BALANCING ============== 1263.85 LDB: ============== END OF LOAD BALANCING =============== 1263.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1263.86 LDB: ============= START OF LOAD BALANCING ============== 1264.17 LDB: Largest compute 7070 load 0.030525 is 15.6% of average load 0.195213 LDB: Average compute 0.004369 is 2.2% of average load 0.195213 LDB: TIME 1264.18 LOAD: AVG 0.195213 MAX 0.215246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.789 MB LDB: TIME 1264.18 LOAD: AVG 0.195213 MAX 0.215246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.992 MB LDB: TIME 1264.18 LOAD: AVG 0.195213 MAX 0.215246 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.992 MB LDB: ============== END OF LOAD BALANCING =============== 1264.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1264.18 PRESSURE: 396400 30.2044 35.5886 228.409 35.5895 94.561 -46.7526 228.409 -46.752 -138.43 GPRESSURE: 396400 67.9332 -12.0228 192.228 7.59236 145.947 -124.44 183.733 65.3047 -147.335 PRESSAVG: 396400 -17.0237 0.712337 30.6255 0.712363 -53.6707 -32.5263 30.6255 -32.5263 -8.19879 GPRESSAVG: 396400 -16.1351 1.7044 30.6672 1.58687 -53.9029 -33.0995 28.7063 -31.8421 -8.97964 TIMING: 396400 CPU: 1251.97, 0.00322089/step Wall: 1251.97, 0.00322089/step, 4.1188 hours remaining, 232.128906 MB of memory in use. ENERGY: 396400 4011.3014 20590.0550 14462.1253 235.7000 -203544.0922 2837.0983 0.0000 0.0000 52064.0729 -109343.7393 299.2129 -161407.8122 -108975.2031 299.9012 -4.5548 22.1819 763308.7478 -26.2977 -26.3392 PRESSURE: 396600 210.366 -81.9995 100.971 -81.9997 209.222 66.7913 100.972 66.7908 -87.9424 GPRESSURE: 396600 218.657 -118.625 208.676 -115.948 221.268 81.5893 -21.6033 86.6042 -2.36255 PRESSAVG: 396600 32.2583 1.42219 -14.8285 1.42216 -20.7826 25.8057 -14.8286 25.8057 -3.40752 GPRESSAVG: 396600 32.3809 1.10235 -15.4453 1.87541 -21.4874 26.1576 -14.1725 23.7217 -2.57987 TIMING: 396600 CPU: 1252.6, 0.0031538/step Wall: 1252.6, 0.0031538/step, 4.03283 hours remaining, 232.117188 MB of memory in use. ENERGY: 396600 4035.3185 20516.8386 14477.1335 241.1164 -203572.6378 2752.6363 0.0000 0.0000 52262.9130 -109286.6816 300.3557 -161549.5945 -108915.9818 299.7650 110.5484 145.8544 761854.2037 2.6894 2.7712 PRESSURE: 396800 -187.15 42.9525 -98.9452 42.9518 -402.15 -126.27 -98.9454 -126.27 -211.454 GPRESSURE: 396800 -141.427 86.77 -30.511 69.2483 -341.577 -205.794 -19.5786 -13.3847 -252.279 PRESSAVG: 396800 26.5504 -15.0773 54.0256 -15.0773 -16.8046 -38.012 54.0256 -38.012 23.45 GPRESSAVG: 396800 28.0398 -15.5241 55.6411 -15.3119 -17.7364 -38.2513 53.5451 -36.0077 23.4826 TIMING: 396800 CPU: 1253.23, 0.00315276/step Wall: 1253.23, 0.00315276/step, 4.03133 hours remaining, 232.128906 MB of memory in use. ENERGY: 396800 3931.8409 20630.1733 14475.8170 247.0237 -202916.2280 2484.6520 0.0000 0.0000 51985.3427 -109161.3785 298.7605 -161146.7211 -108803.5494 299.8886 -266.9178 -245.0940 764275.7015 11.0652 11.2620 PRESSURE: 397000 -16.2563 250.216 133.872 250.216 -199.33 -96.0063 133.871 -96.0048 -66.3165 GPRESSURE: 397000 19.1001 228.914 211.137 194.94 -174.819 -157.181 35.5368 -11.0353 -60.7434 PRESSAVG: 397000 -16.5556 -12.2404 -24.1074 -12.2406 -6.84521 -65.9642 -24.1074 -65.9641 2.47927 GPRESSAVG: 397000 -18.6511 -11.5805 -23.4907 -13.0652 -5.04167 -64.476 -25.6536 -66.048 2.67826 TIMING: 397000 CPU: 1253.86, 0.00314884/step Wall: 1253.86, 0.00314884/step, 4.02614 hours remaining, 232.128906 MB of memory in use. ENERGY: 397000 3988.8539 20382.4468 14475.3519 228.8177 -203383.7178 2541.7967 0.0000 0.0000 52337.1608 -109429.2900 300.7824 -161766.4508 -109071.1702 299.8380 -93.9676 -72.1541 762168.5024 -6.9738 -7.0048 PRESSURE: 397200 -101.131 29.1125 60.3818 29.1112 -127.357 -111.477 60.3817 -111.477 -83.4106 GPRESSURE: 397200 -21.792 198.055 100.47 29.4902 -107.119 -21.2632 25.465 -181.619 -94.3448 PRESSAVG: 397200 73.3735 38.4319 54.1483 38.4319 -53.9324 -43.9726 54.1482 -43.9726 -0.584114 GPRESSAVG: 397200 73.2243 38.7206 52.6046 38.3209 -53.3104 -44.2659 56.8139 -45.4359 -1.46908 TIMING: 397200 CPU: 1254.49, 0.00315789/step Wall: 1254.49, 0.00315789/step, 4.03754 hours remaining, 232.128906 MB of memory in use. ENERGY: 397200 4057.4068 20568.5679 14446.1427 225.2378 -203104.8409 2538.4857 0.0000 0.0000 51960.0908 -109308.9091 298.6154 -161269.0000 -108940.9319 299.6165 -103.9662 -74.4186 763027.5751 6.2856 6.1483 PRESSURE: 397400 265.032 133.3 -224.33 133.3 180.432 -10.3683 -224.33 -10.3692 -124.587 GPRESSURE: 397400 188.26 131.98 -235.719 -44.2292 346.004 42.5057 -238.195 30.1401 -130.825 PRESSAVG: 397400 30.0084 17.5039 28.2177 17.504 -19.658 -39.3674 28.2177 -39.3675 -1.93781 GPRESSAVG: 397400 30.9882 17.7887 27.2451 18.8481 -20.6309 -40.7432 27.0329 -38.8382 -1.66159 TIMING: 397400 CPU: 1255.12, 0.00314975/step Wall: 1255.12, 0.00314975/step, 4.02696 hours remaining, 232.128906 MB of memory in use. ENERGY: 397400 4011.2783 20439.4703 14448.3464 245.6661 -203664.3635 2784.3249 0.0000 0.0000 52173.8896 -109561.3879 299.8441 -161735.2775 -109199.4156 298.9022 106.9591 134.4797 760912.0537 2.8042 2.8986 PRESSURE: 397600 283.144 164.831 35.781 164.83 40.856 -109.927 35.7809 -109.926 183.721 GPRESSURE: 397600 280.931 4.86104 -41.3401 126.747 94.2226 -102.138 -61.5116 -51.3865 222.484 PRESSAVG: 397600 4.23812 6.60817 70.8509 6.6082 -30.2065 15.3064 70.8509 15.3063 -14.3874 GPRESSAVG: 397600 2.41227 4.05421 70.4621 6.57981 -28.8465 16.1735 71.243 16.406 -14.1599 TIMING: 397600 CPU: 1255.76, 0.00318085/step Wall: 1255.76, 0.00318085/step, 4.06655 hours remaining, 232.128906 MB of memory in use. ENERGY: 397600 3939.4956 20697.0479 14423.6737 257.4257 -203769.7476 2872.2442 0.0000 0.0000 52200.4796 -109379.3810 299.9969 -161579.8605 -109025.8755 299.5137 169.2402 199.2125 759961.6649 -13.4519 -13.5314 PRESSURE: 397800 -91.0032 0.985464 11.0718 0.985799 33.7272 90.6755 11.0716 90.6759 -44.1198 GPRESSURE: 397800 6.6735 -23.4678 -57.877 -11.1469 -51.9156 65.767 -13.4786 94.9573 16.0292 PRESSAVG: 397800 -8.22296 34.6297 1.08866 34.6297 -27.5011 68.3972 1.08871 68.3973 -3.18165 GPRESSAVG: 397800 -6.0974 35.7993 2.84061 36.4062 -29.3937 69.8653 0.693568 68.7395 -3.41899 TIMING: 397800 CPU: 1256.39, 0.00315744/step Wall: 1256.39, 0.00315744/step, 4.03643 hours remaining, 232.128906 MB of memory in use. ENERGY: 397800 4067.5233 20727.9488 14479.2343 239.2081 -203258.3909 2292.5689 0.0000 0.0000 52243.1996 -109208.7079 300.2424 -161451.9075 -108847.6456 299.9229 -33.7986 -9.7376 760971.3580 -12.9686 -12.9700 PRESSURE: 398000 -162.833 -44.7837 79.5108 -44.7837 -75.6078 -61.2216 79.5108 -61.2209 -182.554 GPRESSURE: 398000 -123.971 -20.029 108.903 -49.7358 -43.3156 -91.454 233.482 -13.524 -171.413 PRESSAVG: 398000 10.818 118.712 5.19761 118.712 4.88882 6.8295 5.19761 6.82961 -1.91511 GPRESSAVG: 398000 9.46235 119.255 4.58968 116.919 5.32027 6.43474 5.539 6.48975 -1.44486 TIMING: 398000 CPU: 1257.02, 0.00315502/step Wall: 1257.02, 0.00315502/step, 4.03316 hours remaining, 232.128906 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: 398000 4007.1432 20698.1477 14463.8829 231.0932 -203349.5341 2639.0939 0.0000 0.0000 52252.9626 -109057.2107 300.2985 -161310.1733 -108698.6294 300.1510 -140.3314 -112.8999 760787.1787 4.5972 4.4459 PRESSURE: 398200 112.557 -15.4819 11.2163 -15.4829 -114.578 250.522 11.2169 250.522 375.812 GPRESSURE: 398200 186.557 -80.624 -91.2206 62.5111 -36.1997 261.824 71.6909 249.637 322.396 PRESSAVG: 398200 50.1553 31.603 -10.5019 31.6029 -20.1384 6.77145 -10.5019 6.77146 -7.06513 GPRESSAVG: 398200 49.7486 31.4491 -10.0558 34.0893 -19.5349 3.46946 -10.0287 6.85813 -7.0676 TIMING: 398200 CPU: 1257.65, 0.00317398/step Wall: 1257.65, 0.00317399/step, 4.05723 hours remaining, 232.128906 MB of memory in use. ENERGY: 398200 3983.1985 20470.2382 14484.9466 265.0148 -203244.2330 2618.7222 0.0000 0.0000 52176.1281 -109245.9847 299.8569 -161422.1128 -108875.1783 299.9395 124.5972 157.5843 759334.2723 7.6506 7.7154 PRESSURE: 398400 -357.577 -41.1607 -60.7023 -41.1598 146.235 -49.3093 -60.7017 -49.3098 -119.728 GPRESSURE: 398400 -286.839 -89.0922 5.19531 27.1117 183.238 -67.847 -48.4908 3.42266 -152.602 PRESSAVG: 398400 -30.1558 -4.35236 50.0084 -4.35231 35.1302 6.23167 50.0084 6.23165 23.0029 GPRESSAVG: 398400 -29.8617 -3.6521 50.1967 -4.25892 35.0409 8.25157 51.6501 5.68735 22.4086 TIMING: 398400 CPU: 1258.28, 0.00315839/step Wall: 1258.28, 0.00315839/step, 4.03712 hours remaining, 232.128906 MB of memory in use. ENERGY: 398400 4036.4943 20620.4526 14524.1055 258.3578 -203470.3972 2709.9626 0.0000 0.0000 51796.4889 -109524.5355 297.6751 -161321.0244 -109167.9686 298.9777 -110.3567 -85.4011 761869.6673 9.3258 9.1959 PRESSURE: 398600 -86.3346 -16.5477 241.974 -16.5478 233.231 -163.798 241.974 -163.8 115.381 GPRESSURE: 398600 -40.4095 -13.6848 272.972 -11.6468 236.309 -90.3081 353.144 -86.1497 149.045 PRESSAVG: 398600 -33.7753 42.512 -0.193544 42.512 52.0372 59.9595 -0.193561 59.9596 4.0353 GPRESSAVG: 398600 -34.0878 44.3219 -0.716736 37.9398 52.4483 59.5132 -3.78536 59.9581 3.70779 TIMING: 398600 CPU: 1258.92, 0.00316201/step Wall: 1258.92, 0.00316201/step, 4.04158 hours remaining, 232.128906 MB of memory in use. ENERGY: 398600 3911.8808 20554.0788 14467.4519 251.3732 -203453.8471 2662.8943 0.0000 0.0000 52116.8143 -109489.3537 299.5160 -161606.1681 -109123.1054 298.8631 87.4258 114.9814 762081.6594 7.4324 7.3561 PRESSURE: 398800 173.368 86.366 103.141 86.3664 336.849 178.334 103.139 178.333 -448.556 GPRESSURE: 398800 209.8 157.013 35.9816 162.746 341.053 213.083 5.49625 143.894 -406.589 PRESSAVG: 398800 -56.7062 35.2056 25.6024 35.2057 29.6683 9.97707 25.6023 9.97697 -3.44753 GPRESSAVG: 398800 -57.098 34.8348 26.0998 38.9313 29.9612 11.3492 26.8352 9.69213 -2.92443 TIMING: 398800 CPU: 1259.55, 0.00315691/step Wall: 1259.55, 0.00315691/step, 4.03489 hours remaining, 232.128906 MB of memory in use. ENERGY: 398800 4026.8243 20385.4790 14526.5017 246.5425 -203737.7171 2858.6779 0.0000 0.0000 52138.9609 -109554.7307 299.6433 -161693.6916 -109196.4946 299.1434 20.5536 48.0880 762227.6768 -10.1618 -10.0204 PRESSURE: 399000 131.688 152.133 43.1426 152.132 -94.6572 81.1872 43.1421 81.1872 -13.9166 GPRESSURE: 399000 223.987 147.192 50.8362 259.625 -113.165 108.761 -13.2334 120.695 -12.2035 PRESSAVG: 399000 14.6995 25.2157 -1.22691 25.2156 -21.6053 11.9726 -1.22689 11.9726 -7.6364 GPRESSAVG: 399000 15.5189 25.3425 0.147157 23.4134 -22.1624 11.3245 -1.32631 10.5277 -8.26805 TIMING: 399000 CPU: 1260.18, 0.00315865/step Wall: 1260.18, 0.00315865/step, 4.03693 hours remaining, 232.117188 MB of memory in use. ENERGY: 399000 4024.3289 20554.0327 14475.6080 245.2635 -203267.2704 2495.0812 0.0000 0.0000 52019.5555 -109453.4007 298.9571 -161472.9561 -109090.6716 299.0444 7.7048 32.8727 762554.2265 -4.8474 -4.9705 PRESSURE: 399200 -12.6068 17.1621 -70.0877 17.1618 -301.343 151.288 -70.0882 151.288 -206.071 GPRESSURE: 399200 11.5938 22.5273 -34.6621 64.9941 -209.783 162.556 -115.601 95.0177 -267.202 PRESSAVG: 399200 -3.5997 49.4815 -2.41057 49.4815 -20.3361 -19.1575 -2.41059 -19.1575 2.06853 GPRESSAVG: 399200 -3.1282 46.8288 -4.40353 50.8744 -19.5773 -19.8913 -2.15238 -17.2488 1.32581 TIMING: 399200 CPU: 1260.82, 0.0031932/step Wall: 1260.82, 0.0031932/step, 4.08091 hours remaining, 232.128906 MB of memory in use. ENERGY: 399200 3953.0679 20619.8225 14515.8074 236.1458 -203394.6757 2544.4087 0.0000 0.0000 52141.2468 -109384.1766 299.6565 -161525.4234 -109024.9160 299.0378 -173.3402 -155.1302 762511.8609 -7.2891 -7.1266 PRESSURE: 399400 -214.109 154.84 55.4727 154.84 124.943 -48.1837 55.4726 -48.1842 -115.81 GPRESSURE: 399400 -171.636 150.383 41.454 217.296 143.988 -65.3966 58.3735 -18.0001 -81.9276 PRESSAVG: 399400 -7.40711 22.7245 -52.3243 22.7246 11.2604 -0.715787 -52.3243 -0.715719 17.6046 GPRESSAVG: 399400 -8.0025 24.7319 -52.046 21.2934 11.8149 -0.979836 -53.6895 -1.18793 18.3253 TIMING: 399400 CPU: 1261.45, 0.00315967/step Wall: 1261.45, 0.00315967/step, 4.03788 hours remaining, 232.128906 MB of memory in use. ENERGY: 399400 4023.4763 20657.1529 14456.9344 243.7527 -202755.5776 2463.3380 0.0000 0.0000 51866.6094 -109044.3141 298.0781 -160910.9234 -108684.6742 299.3927 -68.3254 -36.5252 763444.7476 7.1526 7.3792 PRESSURE: 399600 282.094 329.928 92.4067 329.928 464.103 -6.90849 92.4073 -6.90939 356.701 GPRESSURE: 399600 338.458 362.915 65.2158 373.284 415.137 -5.86892 7.05631 -53.0122 415.454 PRESSAVG: 399600 -39.5147 89.658 20.4597 89.658 78.0265 -19.7149 20.4597 -19.715 31.7204 GPRESSAVG: 399600 -38.3272 90.1577 19.4098 91.1344 77.4401 -19.6892 20.9557 -20.9865 30.9118 TIMING: 399600 CPU: 1262.08, 0.00314923/step Wall: 1262.08, 0.00314923/step, 4.02436 hours remaining, 232.128906 MB of memory in use. ENERGY: 399600 3850.8751 20559.4548 14553.5692 240.0516 -203252.1389 2635.7131 0.0000 0.0000 52038.6270 -109373.8482 299.0667 -161412.4751 -109013.1826 299.5363 367.6328 389.6826 761461.0930 23.4108 23.3416 PRESSURE: 399800 -65.5211 -157.002 36.7783 -157.001 23.706 -86.1087 36.7782 -86.1095 210.653 GPRESSURE: 399800 -49.6529 -92.9502 64.6809 -155.69 107.135 -101.821 66.6409 -159.858 203.803 PRESSAVG: 399800 48.7687 43.2041 -5.93587 43.2041 3.06555 -26.9747 -5.93582 -26.9747 -0.154828 GPRESSAVG: 399800 47.6766 40.2766 -5.7602 43.3044 2.96204 -26.8604 -5.93978 -24.4314 1.09078 TIMING: 399800 CPU: 1262.71, 0.0031555/step Wall: 1262.71, 0.0031555/step, 4.0322 hours remaining, 232.128906 MB of memory in use. ENERGY: 399800 3997.6309 20407.2616 14521.7817 261.4470 -203453.6330 2812.5962 0.0000 0.0000 52015.6556 -109437.2601 298.9347 -161452.9157 -109077.9429 298.6660 56.2791 87.0949 761176.9145 17.2265 17.2431 PRESSURE: 400000 65.7053 -84.5723 -119.343 -84.5717 -102.632 94.8123 -119.343 94.8117 -128.694 GPRESSURE: 400000 37.0702 -194.529 -50.2749 -150.496 -74.8639 -29.9012 -112.694 144.756 -40.3132 PRESSAVG: 400000 46.6838 44.8434 39.0022 44.8434 -46.5926 1.18299 39.0022 1.18291 18.7489 GPRESSAVG: 400000 46.7711 44.65 39.5105 43.6672 -46.1474 0.671239 39.3643 -0.682082 18.4493 TIMING: 400000 CPU: 1263.35, 0.00316822/step Wall: 1263.35, 0.00316822/step, 4.04828 hours remaining, 232.128906 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: 400000 3924.6161 20477.3250 14514.9548 249.2180 -203037.7717 2569.3892 0.0000 0.0000 51832.9243 -109469.3443 297.8845 -161302.2686 -109113.2821 298.6634 -55.2070 -26.0356 762648.7572 6.2800 6.3577 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.033 seconds, 232.129 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.021 seconds, 232.129 MB of memory in use PRESSURE: 400200 -235.281 -23.9395 209.038 -23.9383 81.3158 -165.356 209.038 -165.355 522.293 GPRESSURE: 400200 -204.974 -11.482 280.135 0.677987 138.467 -146.491 109.469 -162.586 506.758 PRESSAVG: 400200 11.0052 -18.2537 56.6893 -18.2537 -23.2975 -47.4494 56.6893 -47.4494 1.58862 GPRESSAVG: 400200 10.9139 -15.8299 58.047 -18.1134 -22.529 -48.0305 54.3794 -45.775 0.649842 TIMING: 400200 CPU: 1264.05, 0.00352476/step Wall: 1264.05, 0.00352476/step, 4.50367 hours remaining, 232.128906 MB of memory in use. ENERGY: 400200 3938.9740 20544.4686 14460.4379 247.1118 -203647.5355 2879.8691 0.0000 0.0000 52072.5125 -109504.1616 299.2614 -161576.6742 -109140.5856 298.7953 122.7758 146.7505 762458.7514 -3.5679 -3.6551 LDB: ============= START OF LOAD BALANCING ============== 1276.58 LDB: ============== END OF LOAD BALANCING =============== 1276.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1276.59 LDB: ============= START OF LOAD BALANCING ============== 1276.9 LDB: Largest compute 7076 load 0.030934 is 15.9% of average load 0.195150 LDB: Average compute 0.004376 is 2.2% of average load 0.195150 LDB: TIME 1276.91 LOAD: AVG 0.19515 MAX 0.216893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.926 MB LDB: TIME 1276.91 LOAD: AVG 0.19515 MAX 0.216893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.133 MB LDB: TIME 1276.91 LOAD: AVG 0.19515 MAX 0.216893 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.133 MB LDB: ============== END OF LOAD BALANCING =============== 1276.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1276.91 PRESSURE: 400400 -65.1621 136.629 -95.5841 136.629 -18.0895 -304.984 -95.5848 -304.984 2.43003 GPRESSURE: 400400 -158.706 113.638 -15.9362 56.5812 101.178 -349.079 -98.0063 -173.901 84.8397 PRESSAVG: 400400 -9.16465 19.7269 9.79892 19.7268 30.7853 -66.9658 9.79889 -66.9658 -16.7078 GPRESSAVG: 400400 -9.00512 20.2516 8.55981 19.2533 29.8139 -67.2838 11.863 -65.8913 -15.7974 TIMING: 400400 CPU: 1264.7, 0.00323413/step Wall: 1264.7, 0.00323413/step, 4.13214 hours remaining, 233.160156 MB of memory in use. ENERGY: 400400 4043.0323 20378.8160 14455.2372 251.1203 -203115.9608 2602.2074 0.0000 0.0000 51927.7598 -109457.7877 298.4295 -161385.5475 -109094.8063 298.7657 -26.9405 9.1041 760542.3224 1.6376 1.6705 PRESSURE: 400600 -216.698 5.52075 -57.7132 5.52185 -21.538 -55.9725 -57.7121 -55.9719 -121.412 GPRESSURE: 400600 -192.494 -46.4466 28.1294 44.0022 -11.1352 -65.7727 -61.5549 9.9412 -83.0288 PRESSAVG: 400600 -19.2454 39.6262 43.5969 39.6263 -25.5814 -35.4225 43.5969 -35.4225 -38.6623 GPRESSAVG: 400600 -20.7912 38.6328 45.3667 38.477 -24.9538 -32.9858 43.2402 -38.5645 -37.8107 TIMING: 400600 CPU: 1265.33, 0.00317323/step Wall: 1265.33, 0.00317323/step, 4.05415 hours remaining, 233.363281 MB of memory in use. ENERGY: 400600 4020.8775 20622.8737 14496.8299 257.9879 -203257.5725 2467.3970 0.0000 0.0000 51654.7480 -109736.8585 296.8605 -161391.6065 -109381.4888 298.5117 -119.8826 -95.5525 762020.4641 -27.8297 -27.8519 PRESSURE: 400800 80.8545 50.2264 223.874 50.2268 79.4675 -58.0383 223.874 -58.0363 474.507 GPRESSURE: 400800 111.137 -93.1305 258.146 47.7617 140.52 -5.35341 316.226 -121.074 470.442 PRESSAVG: 400800 -29.9718 70.3498 34.0342 70.3499 38.5136 18.3259 34.0343 18.326 0.563799 GPRESSAVG: 400800 -27.818 70.4115 34.2531 70.0767 37.0316 16.4641 33.9412 18.819 -0.484787 TIMING: 400800 CPU: 1265.97, 0.0031882/step Wall: 1265.97, 0.0031882/step, 4.0731 hours remaining, 233.363281 MB of memory in use. ENERGY: 400800 4004.4815 20222.3145 14500.1285 261.1802 -203609.2112 2866.8901 0.0000 0.0000 52020.1778 -109734.0386 298.9607 -161754.2164 -109372.3233 298.1003 211.6095 240.6997 761045.2277 3.0352 2.9096 PRESSURE: 401000 192.343 -73.6872 -59.4395 -73.6876 -33.7217 226.468 -59.4392 226.468 183.423 GPRESSURE: 401000 238.07 -79.1646 -76.6089 50.8128 8.93747 139.488 -104.389 151.744 169.584 PRESSAVG: 401000 -17.4238 36.6358 59.3955 36.6358 -2.38004 -33.1054 59.3955 -33.1054 1.54341 GPRESSAVG: 401000 -19.1657 38.3293 57.8719 36.9402 -1.46895 -31.6222 59.9811 -33.1964 1.96393 TIMING: 401000 CPU: 1266.6, 0.00317415/step Wall: 1266.6, 0.00317415/step, 4.05498 hours remaining, 233.363281 MB of memory in use. ENERGY: 401000 3913.2630 20479.0828 14476.2933 248.9736 -203488.7037 2718.1756 0.0000 0.0000 51928.6486 -109724.2669 298.4347 -161652.9155 -109365.7860 298.3821 114.0147 138.8638 761453.6530 -6.0868 -6.2236 PRESSURE: 401200 -135.984 160.196 33.0167 160.197 52.7161 -100.78 33.0164 -100.779 -399.182 GPRESSURE: 401200 -178.584 76.0482 90.4268 195.024 22.4693 -27.9577 18.8192 -51.1844 -275.817 PRESSAVG: 401200 -14.1627 11.4771 49.0019 11.4771 1.43965 2.36019 49.0019 2.36021 9.01016 GPRESSAVG: 401200 -13.5428 8.06809 49.442 14.2424 0.461401 2.16238 47.1593 1.86015 9.53231 TIMING: 401200 CPU: 1267.24, 0.00318487/step Wall: 1267.24, 0.00318487/step, 4.0685 hours remaining, 233.363281 MB of memory in use. ENERGY: 401200 3985.6950 20599.5906 14456.6020 219.9335 -203315.6694 2497.8755 0.0000 0.0000 51884.1504 -109671.8223 298.1789 -161555.9727 -109306.0100 298.2087 -160.8164 -143.9772 761677.8940 -1.2376 -1.1830 PRESSURE: 401400 29.9767 -22.6003 50.5849 -22.6008 269.277 -38.8206 50.5851 -38.8203 308.809 GPRESSURE: 401400 108.883 79.4427 54.0151 -27.2736 321.058 -77.5444 2.88422 64.5963 261.637 PRESSAVG: 401400 -40.3712 75.0634 49.6133 75.0634 11.7286 -32.9317 49.6133 -32.9317 25.9606 GPRESSAVG: 401400 -40.1407 76.0946 48.5599 74.705 13.0796 -33.9189 49.69 -31.5473 24.482 TIMING: 401400 CPU: 1267.88, 0.00317699/step Wall: 1267.88, 0.00317699/step, 4.05825 hours remaining, 233.363281 MB of memory in use. ENERGY: 401400 3954.6453 20639.2229 14473.1437 250.7273 -203156.6720 2437.4473 0.0000 0.0000 51857.8542 -109543.6312 298.0278 -161401.4855 -109174.9577 298.7555 202.6874 230.5258 760742.3554 -0.8940 -0.8597 PRESSURE: 401600 -112.614 -2.19818 -175.23 -2.19756 -32.5206 210.405 -175.23 210.404 210.069 GPRESSURE: 401600 -47.0158 64.0654 -125.804 -25.0389 37.3984 217.144 -203.722 164.646 172.283 PRESSAVG: 401600 -30.6863 60.1887 20.4388 60.1886 40.292 44.9775 20.4388 44.9774 8.044 GPRESSAVG: 401600 -31.9036 61.3701 22.0305 59.0217 39.9416 44.6114 21.2926 45.7404 9.06196 TIMING: 401600 CPU: 1268.51, 0.0031678/step Wall: 1268.51, 0.0031678/step, 4.04634 hours remaining, 233.363281 MB of memory in use. ENERGY: 401600 3957.5131 20553.0504 14493.8484 240.9908 -203608.5843 2765.7526 0.0000 0.0000 52172.9915 -109424.4374 299.8389 -161597.4290 -109059.2193 298.7271 21.6448 54.2219 761400.1182 5.8832 5.7000 PRESSURE: 401800 -58.3969 4.74492 119.733 4.74478 -79.5462 83.942 119.733 83.941 51.721 GPRESSURE: 401800 -1.4843 142.028 217.516 -122.513 -88.0745 230.604 12.6157 107.143 87.5103 PRESSAVG: 401800 -33.4089 20.8244 -9.64689 20.8244 5.14478 30.8539 -9.64685 30.8539 10.1305 GPRESSAVG: 401800 -32.0699 21.0961 -10.3336 19.8204 4.97366 30.9449 -10.0362 27.6821 9.38128 TIMING: 401800 CPU: 1269.14, 0.00316435/step Wall: 1269.14, 0.00316436/step, 4.04176 hours remaining, 233.363281 MB of memory in use. ENERGY: 401800 3985.6154 20592.4405 14446.2674 249.5210 -203178.4954 2495.0374 0.0000 0.0000 51863.9631 -109545.6505 298.0629 -161409.6136 -109178.4571 299.3730 -28.7407 -0.6828 761642.6511 -6.0445 -5.9050 PRESSURE: 402000 136.301 -107.862 -16.4928 -107.862 25.1206 -115.738 -16.4939 -115.738 13.5235 GPRESSURE: 402000 229.157 107.129 18.8898 -72.3759 -4.61013 -103.72 -55.024 -126.947 27.4276 PRESSAVG: 402000 -3.4766 41.8568 -17.2198 41.8568 3.10588 13.0622 -17.2198 13.0623 2.49289 GPRESSAVG: 402000 -4.12477 40.6523 -17.3977 44.1853 2.80328 13.9889 -16.4171 13.8044 3.0917 TIMING: 402000 CPU: 1269.78, 0.00317632/step Wall: 1269.78, 0.00317632/step, 4.05687 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: 402000 3982.3018 20293.0120 14444.3944 263.8629 -203248.3189 2772.4662 0.0000 0.0000 51968.3168 -109523.9648 298.6626 -161492.2816 -109160.9215 299.0040 58.3151 83.9916 762739.5985 0.7074 0.5901 PRESSURE: 402200 -215.721 -19.7967 -12.8947 -19.7964 -369.033 -7.03131 -12.8941 -7.03187 182.422 GPRESSURE: 402200 -171.46 -29.6463 13.0387 -9.31549 -279.429 37.28 -186.123 102.444 126.802 PRESSAVG: 402200 30.8606 -8.20674 -63.7414 -8.20665 -0.885657 -2.80544 -63.7415 -2.80544 12.4042 GPRESSAVG: 402200 31.6972 -6.65391 -65.2331 -9.84323 -1.06929 -2.36899 -63.5415 -3.25071 12.6511 TIMING: 402200 CPU: 1270.41, 0.00315922/step Wall: 1270.41, 0.00315922/step, 4.03485 hours remaining, 233.363281 MB of memory in use. ENERGY: 402200 3988.3124 20523.3523 14462.5419 256.2098 -202970.4475 2441.9436 0.0000 0.0000 51811.0052 -109487.0823 297.7586 -161298.0875 -109122.0218 298.6829 -134.1106 -108.0292 762808.6510 14.1264 14.4263 PRESSURE: 402400 -71.3406 167.774 -150.309 167.774 -397.485 249.925 -150.309 249.925 -453.533 GPRESSURE: 402400 -110.086 197.135 -163.793 155.635 -325.343 259.578 -26.352 216.517 -395.427 PRESSAVG: 402400 33.5507 -0.0940733 7.67556 -0.0940638 -31.9825 -21.8229 7.67563 -21.8229 12.8813 GPRESSAVG: 402400 32.6563 -1.45173 9.81963 0.382218 -30.4264 -23.7672 5.7811 -21.3402 12.5438 TIMING: 402400 CPU: 1271.04, 0.0031613/step Wall: 1271.04, 0.0031613/step, 4.03733 hours remaining, 233.363281 MB of memory in use. ENERGY: 402400 3999.9806 20515.4044 14463.6518 253.5299 -203138.6742 2410.6799 0.0000 0.0000 52023.0875 -109472.3400 298.9774 -161495.4275 -109111.9322 298.7088 -307.4529 -276.9519 762429.8570 4.8165 4.9246 PRESSURE: 402600 -263.232 161.978 200.391 161.978 -539.128 -189.865 200.391 -189.866 145.267 GPRESSURE: 402600 -182.931 226.288 146.391 38.6847 -524.854 -203.202 197.38 -248.14 152.127 PRESSAVG: 402600 20.3502 52.3494 44.6348 52.3494 -38.858 -30.4425 44.6348 -30.4425 14.239 GPRESSAVG: 402600 20.7737 50.8894 43.0359 51.834 -39.5839 -29.5388 45.3247 -29.5615 14.8592 TIMING: 402600 CPU: 1271.67, 0.00312511/step Wall: 1271.67, 0.00312512/step, 3.99095 hours remaining, 233.363281 MB of memory in use. ENERGY: 402600 3965.0613 20446.2080 14508.0898 241.7174 -203197.3837 2571.5317 0.0000 0.0000 51994.9487 -109469.8268 298.8157 -161464.7755 -109102.3042 299.0364 -219.0309 -185.2191 762132.9622 -1.4229 -1.3170 PRESSURE: 402800 102.774 276.288 -4.49258 276.287 -104.921 258.422 -4.49272 258.422 182.555 GPRESSURE: 402800 75.6072 236.108 129.067 141.17 -64.3292 192.15 -39.6656 212.596 247.007 PRESSAVG: 402800 6.12016 42.8478 3.82137 42.8479 34.1798 69.2042 3.82136 69.2041 -9.83209 GPRESSAVG: 402800 5.83942 42.151 5.45428 43.3303 35.0351 69.9193 3.50353 69.3061 -10.5076 TIMING: 402800 CPU: 1272.3, 0.00314804/step Wall: 1272.3, 0.00314804/step, 4.02004 hours remaining, 233.363281 MB of memory in use. ENERGY: 402800 4003.0107 20473.9005 14558.6988 244.6039 -203121.3784 2482.4159 0.0000 0.0000 51918.3993 -109440.3494 298.3758 -161358.7487 -109086.0947 298.8221 60.1358 86.0950 761162.2611 10.1560 10.1223 PRESSURE: 403000 -48.7581 -160.036 -113.796 -160.037 -364.874 27.1412 -113.797 27.141 -82.552 GPRESSURE: 403000 15.1326 30.7811 -120.435 -181.152 -264.562 8.85391 -132.928 -62.5345 -127.595 PRESSAVG: 403000 6.54567 90.0003 -10.4347 90.0003 10.3679 36.7136 -10.4347 36.7136 23.3477 GPRESSAVG: 403000 7.82973 92.3151 -11.4292 89.4766 8.58317 36.071 -10.2936 36.4606 23.2308 TIMING: 403000 CPU: 1272.93, 0.00315139/step Wall: 1272.93, 0.00315139/step, 4.02415 hours remaining, 233.363281 MB of memory in use. ENERGY: 403000 3970.7984 20348.9953 14523.0317 269.9254 -203235.2146 2613.5112 0.0000 0.0000 52045.8934 -109463.0591 299.1085 -161508.9525 -109095.7257 298.7191 -165.3948 -125.6749 761981.1627 13.4204 13.2146 PRESSURE: 403200 33.9763 174.281 89.989 174.281 229.221 224.42 89.9893 224.42 -127.398 GPRESSURE: 403200 124.988 241.974 52.7873 127.684 162.674 207.835 149.119 182.705 -61.1248 PRESSAVG: 403200 -53.3599 21.6703 7.09956 21.6702 -6.35553 24.7131 7.09959 24.7131 -3.43925 GPRESSAVG: 403200 -54.2567 20.2161 7.45062 22.4563 -5.70132 23.9744 7.97834 23.4858 -3.11359 TIMING: 403200 CPU: 1273.56, 0.00314638/step Wall: 1273.56, 0.00314638/step, 4.01758 hours remaining, 233.363281 MB of memory in use. ENERGY: 403200 4030.9295 20627.9946 14468.1893 226.0156 -203251.2098 2711.7455 0.0000 0.0000 51813.5575 -109372.7779 297.7732 -161186.3354 -109026.6656 298.5911 45.2667 75.5124 760980.6878 -21.0516 -21.0239 PRESSURE: 403400 -39.7647 -14.1767 29.6081 -14.1761 -238.712 -36.7553 29.6081 -36.7553 -136.252 GPRESSURE: 403400 -85.8051 -62.9805 1.30525 -32.261 -208.55 -90.4364 -131.199 30.6238 -23.5157 PRESSAVG: 403400 -3.34197 3.37125 14.4646 3.37121 18.722 11.8425 14.4647 11.8425 23.1362 GPRESSAVG: 403400 -3.65897 3.87897 14.0701 3.08699 17.7228 12.8164 15.2134 12.8626 24.3428 TIMING: 403400 CPU: 1274.18, 0.00313996/step Wall: 1274.18, 0.00313996/step, 4.0092 hours remaining, 233.363281 MB of memory in use. ENERGY: 403400 3966.4474 20438.4881 14496.0857 255.5523 -203050.3993 2337.1122 0.0000 0.0000 52185.4372 -109371.2764 299.9104 -161556.7136 -109005.1132 298.7670 -138.2427 -105.9570 762799.4866 12.8387 12.8022 PRESSURE: 403600 220.981 -151.243 76.2992 -151.244 44.3772 57.3829 76.2991 57.3829 -67.4473 GPRESSURE: 403600 200.814 103.824 -9.69272 -114.849 60.9206 92.2177 -24.2407 -120.305 11.1442 PRESSAVG: 403600 21.8526 -21.1249 5.24877 -21.125 28.4026 -11.7976 5.24878 -11.7976 19.35 GPRESSAVG: 403600 22.3565 -22.1075 5.82547 -21.4537 28.461 -11.2457 2.33406 -14.0518 17.9728 TIMING: 403600 CPU: 1274.81, 0.00313252/step Wall: 1274.81, 0.00313252/step, 3.99953 hours remaining, 233.363281 MB of memory in use. ENERGY: 403600 3959.0141 20670.4399 14580.3499 242.5846 -203085.0104 2584.2547 0.0000 0.0000 51723.9479 -109324.4193 297.2582 -161048.3672 -108962.1813 299.2120 65.9703 90.9596 763165.4911 23.2018 22.9301 PRESSURE: 403800 -8.99378 -148.152 -215.799 -148.152 101.408 -122.287 -215.798 -122.286 352.363 GPRESSURE: 403800 142.831 -62.5715 -107.49 -150.8 109.264 -144.658 -329.699 -21.5182 263.873 PRESSAVG: 403800 7.51006 -10.4148 3.43359 -10.4148 -52.0048 -19.5472 3.43356 -19.5473 1.54398 GPRESSAVG: 403800 7.77566 -9.03303 3.2576 -9.8243 -51.8963 -19.703 5.01694 -18.448 0.971688 TIMING: 403800 CPU: 1275.44, 0.00313185/step Wall: 1275.44, 0.00313185/step, 3.9985 hours remaining, 233.363281 MB of memory in use. ENERGY: 403800 3877.9624 20567.7248 14510.9361 262.7450 -203234.8086 2629.0030 0.0000 0.0000 52263.6587 -109122.7785 300.3600 -161386.4372 -108765.2223 299.1869 148.2591 171.9895 761919.0667 -14.3169 -14.3830 PRESSURE: 404000 399.823 48.6999 32.2404 48.7008 268.784 84.3978 32.2407 84.398 -160.07 GPRESSURE: 404000 355.294 83.4492 73.7979 125.807 347.636 39.2044 12.1626 39.3113 -100.416 PRESSAVG: 404000 0.790066 5.44317 6.84412 5.44321 1.11644 -24.5269 6.84416 -24.5269 -20.3418 GPRESSAVG: 404000 0.600167 5.6815 5.96042 4.16593 2.09096 -25.1708 8.21542 -22.7868 -20.851 TIMING: 404000 CPU: 1276.07, 0.00314404/step Wall: 1276.07, 0.00314404/step, 4.01389 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: 404000 3934.9166 20435.7434 14491.4348 250.3464 -203323.4439 2761.9213 0.0000 0.0000 52036.4170 -109412.6644 299.0540 -161449.0814 -109039.5478 299.3668 169.5123 200.8379 761944.8145 -6.1451 -6.0533 PRESSURE: 404200 -176.829 34.8252 38.0333 34.8244 1.5331 -100.223 38.0327 -100.223 228.852 GPRESSURE: 404200 -157.428 -52.2318 5.2571 63.195 28.1269 -101.428 201.116 -91.9197 251.559 PRESSAVG: 404200 -32.4652 17.4906 -14.7789 17.4907 49.9042 50.5172 -14.7789 50.5172 -5.84175 GPRESSAVG: 404200 -32.6548 17.183 -12.8068 18.2877 49.1178 52.3354 -17.9314 49.7511 -5.30395 TIMING: 404200 CPU: 1276.7, 0.00315976/step Wall: 1276.7, 0.00315976/step, 4.03378 hours remaining, 233.363281 MB of memory in use. ENERGY: 404200 3931.6886 20689.3046 14463.6433 239.7243 -203122.3411 2414.7468 0.0000 0.0000 51924.0612 -109459.1725 298.4083 -161383.2337 -109097.8898 299.0573 17.8518 40.7525 762368.7038 3.8657 3.7197 LDB: ============= START OF LOAD BALANCING ============== 1289.23 LDB: ============== END OF LOAD BALANCING =============== 1289.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1289.23 LDB: ============= START OF LOAD BALANCING ============== 1289.54 LDB: Largest compute 7060 load 0.032078 is 16.4% of average load 0.195255 LDB: Average compute 0.004378 is 2.2% of average load 0.195255 LDB: TIME 1289.55 LOAD: AVG 0.195255 MAX 0.216731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.613 MB LDB: TIME 1289.55 LOAD: AVG 0.195255 MAX 0.216731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: TIME 1289.55 LOAD: AVG 0.195255 MAX 0.216731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.613 MB LDB: ============== END OF LOAD BALANCING =============== 1289.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1289.55 PRESSURE: 404400 495.57 83.7998 -57.5126 83.7995 -522.581 44.9195 -57.5127 44.9184 -60.194 GPRESSURE: 404400 496.741 151.981 16.0006 320.325 -431.892 147.38 -114.08 5.64139 -62.1002 PRESSAVG: 404400 8.79012 16.5255 -44.6354 16.5255 13.8782 22.4252 -44.6354 22.4252 -15.7118 GPRESSAVG: 404400 8.29152 18.0576 -46.5296 16.4909 13.1548 24.0079 -41.9547 20.6976 -14.4628 TIMING: 404400 CPU: 1277.34, 0.00319512/step Wall: 1277.34, 0.00319512/step, 4.07875 hours remaining, 232.640625 MB of memory in use. ENERGY: 404400 4000.1123 20584.1175 14585.4421 246.3491 -203476.9680 2837.7253 0.0000 0.0000 51959.2224 -109263.9994 298.6104 -161223.2217 -108905.6883 298.9430 -29.0684 0.9163 761520.3972 2.3188 2.3278 PRESSURE: 404600 376.282 104.402 -14.184 104.402 -32.6811 59.7204 -14.1838 59.7192 -7.32667 GPRESSURE: 404600 361.657 54.8049 -62.7199 143.377 27.8312 76.2333 48.1081 81.8275 21.522 PRESSAVG: 404600 80.6674 -23.7036 -38.8642 -23.7036 -41.4262 23.7661 -38.8643 23.7662 8.6812 GPRESSAVG: 404600 81.6431 -24.9334 -37.1407 -23.4922 -41.0492 21.7801 -39.4754 23.3254 7.4018 TIMING: 404600 CPU: 1277.96, 0.00312642/step Wall: 1277.96, 0.00312642/step, 3.99088 hours remaining, 233.250000 MB of memory in use. ENERGY: 404600 3956.1838 20360.1542 14532.6604 262.7193 -203605.8904 2889.7188 0.0000 0.0000 52240.3334 -109364.1205 300.2259 -161604.4539 -109002.1439 299.3334 112.0915 137.0034 762266.5948 15.9741 15.9986 PRESSURE: 404800 -357.365 135.083 49.4586 135.083 -217.278 45.0162 49.4585 45.0161 -44.5797 GPRESSURE: 404800 -285.98 196.643 -14.3427 180.386 -215.317 48.7665 121.337 -66.3746 -38.7424 PRESSAVG: 404800 -35.1623 -0.420819 -6.38912 -0.420735 -30.5999 -18.238 -6.38916 -18.238 -5.34837 GPRESSAVG: 404800 -35.8608 -1.19771 -7.46378 -0.310343 -30.1067 -18.8516 -4.60775 -15.4919 -5.64002 TIMING: 404800 CPU: 1278.59, 0.00311895/step Wall: 1278.59, 0.00311895/step, 3.98117 hours remaining, 233.250000 MB of memory in use. ENERGY: 404800 4060.6032 20524.0120 14501.1880 264.1235 -203134.4478 2388.5276 0.0000 0.0000 52070.4728 -109325.5207 299.2497 -161395.9935 -108971.0948 299.0598 -206.4076 -180.0131 763878.0328 -23.7035 -23.8692 PRESSURE: 405000 -52.8836 -3.99061 106.515 -3.98976 13.8438 31.7479 106.516 31.748 -302.528 GPRESSURE: 405000 10.5352 32.7176 152.892 -39.707 37.8208 56.8013 79.313 5.24109 -292.579 PRESSAVG: 405000 -23.6033 2.01705 12.5741 2.01699 19.0535 -2.17684 12.5742 -2.17684 28.0572 GPRESSAVG: 405000 -22.1064 1.48813 14.3704 5.01636 17.1339 -1.83179 12.9701 -4.07082 28.5845 TIMING: 405000 CPU: 1279.22, 0.00315016/step Wall: 1279.22, 0.00315016/step, 4.02083 hours remaining, 233.250000 MB of memory in use. ENERGY: 405000 3959.6757 20482.9454 14476.4969 238.0624 -203245.4581 2594.5747 0.0000 0.0000 52069.3610 -109424.3421 299.2433 -161493.7031 -109068.8578 299.0290 -113.8558 -81.4078 762832.7520 7.8358 7.8706 PRESSURE: 405200 -122.745 321.636 13.2526 321.637 308.166 122.364 13.2525 122.363 39.4712 GPRESSURE: 405200 -44.7942 354.271 -54.8363 303.292 319.804 154.597 -3.41268 138.081 45.2703 PRESSAVG: 405200 -3.12891 42.3449 11.1686 42.3449 41.298 -16.7599 11.1686 -16.7599 -0.456257 GPRESSAVG: 405200 -4.5112 42.9134 9.9998 40.5154 42.7378 -18.134 8.81345 -15.2318 -0.609085 TIMING: 405200 CPU: 1279.85, 0.00314653/step Wall: 1279.85, 0.00314653/step, 4.01602 hours remaining, 233.250000 MB of memory in use. ENERGY: 405200 3938.9358 20354.5248 14493.3708 255.2282 -202885.3045 2504.2801 0.0000 0.0000 51974.8066 -109364.1582 298.6999 -161338.9648 -108990.0515 299.0307 74.9641 106.7600 763418.9464 12.5709 12.5392 PRESSURE: 405400 63.2019 -17.1579 344.336 -17.1572 -149.045 96.1589 344.336 96.159 115.146 GPRESSURE: 405400 114.03 47.0105 377.625 -1.03643 -119.426 64.989 457.527 116.31 126.845 PRESSAVG: 405400 -27.5348 -23.1667 -43.1582 -23.1667 23.3337 62.8575 -43.1583 62.8575 9.45386 GPRESSAVG: 405400 -27.2363 -23.099 -42.9633 -23.5886 22.4456 63.6897 -44.4627 62.4575 9.9774 TIMING: 405400 CPU: 1280.48, 0.00315494/step Wall: 1280.48, 0.00315494/step, 4.02658 hours remaining, 233.250000 MB of memory in use. ENERGY: 405400 4100.5731 20514.5130 14508.8135 255.3696 -203360.7781 2790.6055 0.0000 0.0000 51907.5210 -109283.3824 298.3132 -161190.9034 -108924.5508 298.7817 9.7679 40.4829 763539.1615 1.7509 1.7289 PRESSURE: 405600 38.9543 -54.066 -118.696 -54.0662 -153.755 -98.3981 -118.697 -98.3982 168.267 GPRESSURE: 405600 39.577 -141.524 -68.9876 -60.2655 -72.248 -20.2327 -97.5131 -106.345 171.725 PRESSAVG: 405600 17.8351 -9.16675 -40.1295 -9.16676 -60.0113 21.8905 -40.1294 21.8905 7.72736 GPRESSAVG: 405600 17.9129 -9.58035 -40.1737 -9.30499 -60.1212 22.0797 -37.0443 18.9063 8.0285 TIMING: 405600 CPU: 1281.11, 0.00315239/step Wall: 1281.11, 0.00315239/step, 4.02314 hours remaining, 233.250000 MB of memory in use. ENERGY: 405600 3971.4080 20645.4299 14553.5145 239.5836 -202983.3982 2488.3507 0.0000 0.0000 51855.7135 -109229.3979 298.0155 -161085.1114 -108862.4349 298.9156 17.8223 46.3514 762026.1920 -11.4829 -11.3933 PRESSURE: 405800 197.783 197.182 -82.7988 197.183 -110.939 -169.183 -82.7994 -169.182 -40.5659 GPRESSURE: 405800 172.695 173.502 -23.2918 187.119 -6.53051 -125.181 -102.177 -41.4083 -26.843 PRESSAVG: 405800 0.435937 -33.1535 -59.1226 -33.1535 5.33754 27.6679 -59.1226 27.668 -7.30278 GPRESSAVG: 405800 0.942905 -32.6448 -59.1746 -33.8052 5.30746 28.1148 -60.2737 31.6893 -7.42661 TIMING: 405800 CPU: 1281.74, 0.00314251/step Wall: 1281.74, 0.00314251/step, 4.01036 hours remaining, 233.250000 MB of memory in use. ENERGY: 405800 3987.4374 20278.1084 14474.5910 235.3616 -203362.3003 2783.1902 0.0000 0.0000 52185.6332 -109417.9785 299.9116 -161603.6117 -109046.2967 298.7442 15.4262 46.4404 761917.0346 -0.5098 -0.3921 PRESSURE: 406000 93.8972 16.502 109.609 16.5021 290.15 233.587 109.61 233.588 -359.775 GPRESSURE: 406000 178.408 -31.7536 123.706 -45.1979 251.036 229.278 146.204 226.621 -295.589 PRESSAVG: 406000 -18.714 -65.6175 -46.654 -65.6176 36.0863 6.32532 -46.654 6.32534 -9.49789 GPRESSAVG: 406000 -18.0986 -65.2377 -46.0622 -65.4173 35.1197 5.34558 -46.5933 6.01091 -8.89478 TIMING: 406000 CPU: 1282.37, 0.00316185/step Wall: 1282.37, 0.00316185/step, 4.03487 hours remaining, 233.250000 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: 406000 3965.1176 20501.2767 14534.2974 257.6376 -203867.2024 3117.7299 0.0000 0.0000 51938.1379 -109553.0054 298.4892 -161491.1433 -109192.2847 298.6786 8.0910 44.6182 763783.9806 2.6248 2.7088 PRESSURE: 406200 142.281 154.891 103.15 154.891 -76.391 25.7355 103.149 25.7354 -39.6808 GPRESSURE: 406200 175.459 56.2608 128.913 82.0864 -17.5968 58.3244 72.373 75.7938 -46.2315 PRESSAVG: 406200 0.789191 -16.5283 -0.424834 -16.5283 -4.04344 30.5377 -0.424901 30.5377 5.55132 GPRESSAVG: 406200 -0.0145547 -16.4877 -0.163297 -16.2088 -3.63719 31.155 -2.1643 29.0142 5.72809 TIMING: 406200 CPU: 1283, 0.00316527/step Wall: 1283, 0.00316527/step, 4.03907 hours remaining, 233.250000 MB of memory in use. ENERGY: 406200 3921.8008 20543.6153 14517.5341 255.0786 -203044.6189 2492.0500 0.0000 0.0000 51904.8553 -109409.6847 298.2979 -161314.5399 -109050.7393 298.7114 8.7364 37.2103 762585.8975 0.7657 0.6921 PRESSURE: 406400 70.3064 101.146 -215.949 101.147 353.235 -240.538 -215.949 -240.539 -386.731 GPRESSURE: 406400 -105.19 56.0318 -238.547 58.3512 494.965 -209.189 -47.0491 -292.503 -268.062 PRESSAVG: 406400 -54.3246 20.3308 -38.1187 20.3308 52.7116 0.101609 -38.1188 0.101574 -2.15155 GPRESSAVG: 406400 -55.2364 19.7004 -39.1539 20.4636 54.121 -1.04234 -35.6438 1.33811 -2.98407 TIMING: 406400 CPU: 1283.63, 0.00315955/step Wall: 1283.63, 0.00315955/step, 4.03158 hours remaining, 233.250000 MB of memory in use. ENERGY: 406400 3972.3567 20428.0736 14522.5554 257.4024 -203301.2879 2688.3090 0.0000 0.0000 52133.7180 -109298.8728 299.6132 -161432.5908 -108936.5593 299.1266 12.2703 40.5709 761587.3180 -1.2549 -1.3665 PRESSURE: 406600 -249.051 -17.5311 27.2139 -17.531 -628.154 -15.3082 27.2129 -15.3078 -120.25 GPRESSURE: 406600 -338.91 62.0043 -17.2019 -16.5629 -512.602 -62.4571 66.6779 -5.70457 -64.9886 PRESSAVG: 406600 -56.8315 -6.55856 -24.1073 -6.55856 56.6948 13.8421 -24.1073 13.8421 12.5899 GPRESSAVG: 406600 -57.3633 -5.16079 -24.2469 -8.62681 57.4783 14.3278 -23.7554 12.9915 12.2035 TIMING: 406600 CPU: 1284.26, 0.00314658/step Wall: 1284.26, 0.00314658/step, 4.01486 hours remaining, 233.250000 MB of memory in use. ENERGY: 406600 4023.5791 20417.0917 14525.4271 250.9235 -203677.1836 2688.0310 0.0000 0.0000 52242.3425 -109529.7886 300.2375 -161772.1312 -109174.6390 299.2548 -332.4852 -305.5002 762375.3990 4.1511 4.1062 PRESSURE: 406800 -36.0907 -190.701 156.025 -190.701 -502.362 235.057 156.024 235.057 -465.947 GPRESSURE: 406800 -44.9897 -227.877 134.714 -129.486 -381.942 244.745 208.004 145.249 -491.873 PRESSAVG: 406800 22.4643 0.941777 13.8242 0.941803 3.2629 13.5306 13.8242 13.5306 9.06737 GPRESSAVG: 406800 24.2298 -1.14274 14.0109 3.50491 2.56079 13.9337 14.0249 13.4029 8.39293 TIMING: 406800 CPU: 1284.89, 0.00315892/step Wall: 1284.89, 0.00315892/step, 4.03043 hours remaining, 233.250000 MB of memory in use. ENERGY: 406800 4044.1174 20356.5797 14516.2097 250.8568 -203040.2151 2456.5761 0.0000 0.0000 51845.7473 -109570.1282 297.9582 -161415.8755 -109219.0242 298.0344 -334.7999 -306.2681 763733.9285 11.5982 11.7278 PRESSURE: 407000 -376.528 -83.9129 -105.542 -83.9134 -171.143 173.519 -105.543 173.52 -174.345 GPRESSURE: 407000 -304.405 -108.936 -81.9934 -98.2959 -225.057 173.308 97.4812 89.6488 -128.024 PRESSAVG: 407000 -54.6562 37.6304 -3.0111 37.6304 52.7161 43.2669 -3.01111 43.2668 -3.47208 GPRESSAVG: 407000 -54.9458 36.8191 -3.28142 40.0032 52.1418 42.7889 -1.76512 41.7993 -1.69976 TIMING: 407000 CPU: 1285.53, 0.00315854/step Wall: 1285.53, 0.00315854/step, 4.02976 hours remaining, 233.250000 MB of memory in use. ENERGY: 407000 4005.2884 20532.8990 14476.4821 263.4248 -203578.7754 2739.5096 0.0000 0.0000 51787.0709 -109774.1006 297.6210 -161561.1715 -109421.7329 298.4818 -240.6718 -219.1619 763496.3527 -1.8040 -1.5013 PRESSURE: 407200 -84.4752 147.511 -133.626 147.51 -322.935 -103.197 -133.626 -103.197 -156.715 GPRESSURE: 407200 -71.1003 46.1364 -130.662 65.057 -291.739 -97.7227 -110.442 -208.477 -138.146 PRESSAVG: 407200 35.1418 12.5353 56.1305 12.5353 6.51557 27.2248 56.1306 27.2248 1.80872 GPRESSAVG: 407200 35.4201 14.6092 54.8191 10.5601 7.61712 26.9458 56.0139 28.9685 0.734857 TIMING: 407200 CPU: 1286.15, 0.00314299/step Wall: 1286.15, 0.00314299/step, 4.00976 hours remaining, 233.250000 MB of memory in use. ENERGY: 407200 3917.2477 20494.0363 14477.6488 247.1732 -203034.1915 2349.2483 0.0000 0.0000 51676.3900 -109872.4471 296.9849 -161548.8372 -109512.4463 297.9004 -188.0418 -166.9952 765108.0370 14.4887 14.5907 PRESSURE: 407400 159.893 57.5559 249.445 57.5559 152.218 43.625 249.444 43.6264 231.352 GPRESSURE: 407400 188.24 143.727 298.736 204.41 191.456 46.6488 311.631 -25.703 250.922 PRESSAVG: 407400 -15.0155 28.8564 69.5326 28.8564 17.6964 -7.93814 69.5325 -7.93803 6.23645 GPRESSAVG: 407400 -14.1226 26.9162 70.7706 30.2003 16.8233 -7.40658 67.6625 -7.29853 6.85487 TIMING: 407400 CPU: 1286.78, 0.00313762/step Wall: 1286.78, 0.00313762/step, 4.00274 hours remaining, 233.250000 MB of memory in use. ENERGY: 407400 3905.2581 20359.1078 14527.4070 261.6047 -203636.2858 2618.1126 0.0000 0.0000 52043.2308 -109921.5647 299.0932 -161964.7954 -109571.8091 297.1603 181.1541 210.2057 763772.3189 2.9724 3.1852 PRESSURE: 407600 348.734 17.945 -160.046 17.944 108.429 -216.268 -160.045 -216.27 145.547 GPRESSURE: 407600 386.455 103.634 -131.095 107.126 149.829 -174.2 -155.588 -276.533 152.947 PRESSAVG: 407600 -4.03775 -34.8889 30.8388 -34.889 52.3366 2.87665 30.8388 2.8767 24.0741 GPRESSAVG: 407600 -3.15416 -33.7071 30.1342 -38.4976 50.9072 3.73825 30.4105 0.967454 24.3169 TIMING: 407600 CPU: 1287.41, 0.00313386/step Wall: 1287.41, 0.00313386/step, 3.99776 hours remaining, 233.250000 MB of memory in use. ENERGY: 407600 4015.6342 20430.8497 14571.3823 231.0728 -204162.7503 3203.2727 0.0000 0.0000 52000.4933 -109710.0454 298.8475 -161710.5387 -109347.5818 298.4099 200.9036 229.7437 762438.9201 24.1243 24.0233 PRESSURE: 407800 -187.211 -91.6519 66.9692 -91.6508 -148.379 214.556 66.9695 214.557 -6.30062 GPRESSURE: 407800 -230.164 -2.13886 102.113 -9.30154 -90.3092 174.666 52.4378 175.659 49.448 PRESSAVG: 407800 -8.91564 41.053 20.1356 41.0531 -7.40849 -41.9851 20.1356 -41.9851 -14.0665 GPRESSAVG: 407800 -11.5093 40.8536 19.8152 43.0074 -6.14964 -43.1232 20.5159 -43.588 -13.1967 TIMING: 407800 CPU: 1288.04, 0.00314518/step Wall: 1288.04, 0.00314518/step, 4.01203 hours remaining, 233.250000 MB of memory in use. ENERGY: 407800 4036.7681 20375.1010 14465.8451 234.0523 -203184.6560 2442.4361 0.0000 0.0000 51976.6712 -109653.7823 298.7106 -161630.4535 -109296.9714 298.0809 -113.9636 -90.3416 762321.3027 -10.1302 -10.2852 PRESSURE: 408000 109.725 86.6086 170.385 86.6089 68.1085 -136.315 170.384 -136.315 160.99 GPRESSURE: 408000 127.849 59.4356 181.574 59.8522 149.407 -53.3954 176.65 -102.861 137.729 PRESSAVG: 408000 -8.26431 3.70658 70.2678 3.7066 9.14462 -11.7211 70.2678 -11.7212 13.9957 GPRESSAVG: 408000 -7.09285 4.82976 71.0546 3.41309 8.16897 -10.9996 71.0058 -9.30987 13.3304 TIMING: 408000 CPU: 1288.67, 0.00314675/step Wall: 1288.67, 0.00314675/step, 4.01386 hours remaining, 233.250000 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: 408000 3994.0723 20411.8506 14536.3958 254.0766 -203834.3353 2975.9104 0.0000 0.0000 52168.1476 -109493.8818 299.8111 -161662.0294 -109132.9967 298.6526 112.9411 138.3281 761679.7074 4.9587 4.8022 PRESSURE: 408200 38.6613 230.367 10.1059 230.366 -96.4649 -43.4497 10.1055 -43.4488 -46.2929 GPRESSURE: 408200 185.157 137.976 -34.1092 201.536 -221.803 34.7755 29.6018 -158.407 32.0511 PRESSAVG: 408200 13.4874 -9.59002 -5.1272 -9.58998 -21.1148 3.66831 -5.12726 3.66833 18.3473 GPRESSAVG: 408200 13.6207 -11.4444 -4.93669 -9.77467 -20.5454 3.67373 -7.11597 2.25433 18.2086 TIMING: 408200 CPU: 1289.3, 0.00315063/step Wall: 1289.3, 0.00315063/step, 4.01862 hours remaining, 233.250000 MB of memory in use. ENERGY: 408200 4049.9170 20531.5096 14552.4580 248.8160 -203699.8408 2835.6395 0.0000 0.0000 51948.2709 -109533.2298 298.5474 -161481.5007 -109168.1581 298.5889 -34.6988 -1.5318 763141.1882 3.5733 3.7613 LDB: ============= START OF LOAD BALANCING ============== 1301.83 LDB: ============== END OF LOAD BALANCING =============== 1301.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1301.83 LDB: ============= START OF LOAD BALANCING ============== 1302.15 LDB: Largest compute 7060 load 0.031754 is 16.3% of average load 0.195141 LDB: Average compute 0.004394 is 2.3% of average load 0.195141 LDB: TIME 1302.15 LOAD: AVG 0.195141 MAX 0.214177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.82 MB LDB: TIME 1302.15 LOAD: AVG 0.195141 MAX 0.214177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: TIME 1302.15 LOAD: AVG 0.195141 MAX 0.214177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.82 MB LDB: ============== END OF LOAD BALANCING =============== 1302.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1302.16 PRESSURE: 408400 257.373 35.168 -60.9623 35.167 91.8196 -0.428038 -60.9629 -0.428995 162.863 GPRESSURE: 408400 295.584 19.28 35.6663 14.9172 139.387 -5.65263 -34.3272 23.4595 165.019 PRESSAVG: 408400 28.3944 -4.97526 8.66729 -4.97528 -33.0794 -31.2059 8.66735 -31.2059 5.41691 GPRESSAVG: 408400 29.1851 -2.80533 9.9235 -4.4864 -31.5432 -31.538 7.16391 -32.6361 3.31888 TIMING: 408400 CPU: 1289.94, 0.00323295/step Wall: 1289.94, 0.00323295/step, 4.12345 hours remaining, 233.355469 MB of memory in use. ENERGY: 408400 4018.2566 20445.1254 14510.1082 245.6771 -203507.2339 3045.3830 0.0000 0.0000 51827.5370 -109415.1465 297.8536 -161242.6835 -109056.3059 298.4396 170.6853 199.9968 762022.3331 0.2440 0.3202 PRESSURE: 408600 -29.362 -38.408 92.1675 -38.4084 90.026 -122.278 92.1683 -122.278 -74.9325 GPRESSURE: 408600 77.7427 -26.9826 88.1713 -77.9469 49.2582 -201.965 125.189 -75.8447 -63.5457 PRESSAVG: 408600 -9.53162 -15.2874 46.401 -15.2873 56.7022 -26.3876 46.401 -26.3877 3.38429 GPRESSAVG: 408600 -11.0849 -16.1951 45.0918 -15.0133 55.4904 -28.7282 47.0392 -23.6523 5.20554 TIMING: 408600 CPU: 1290.58, 0.00317053/step Wall: 1290.58, 0.00317053/step, 4.04366 hours remaining, 233.617188 MB of memory in use. ENERGY: 408600 3932.0388 20638.2334 14467.8183 242.8380 -203691.0387 2948.1904 0.0000 0.0000 52214.6840 -109247.2358 300.0785 -161461.9198 -108880.2089 298.7413 -4.7562 21.1517 762471.6445 16.8516 16.5370 PRESSURE: 408800 -66.6766 -160.131 -97.8779 -160.131 -170.94 27.9988 -97.8789 27.9983 -401.67 GPRESSURE: 408800 35.7139 -167.317 -133.336 -99.0889 -189.436 92.8917 -150.097 -4.51473 -379.075 PRESSAVG: 408800 -17.3868 -78.1752 24.8049 -78.1752 55.6246 -40.0139 24.8049 -40.0139 4.49624 GPRESSAVG: 408800 -15.5657 -78.1162 24.3872 -79.678 55.4162 -38.278 26.7969 -40.0909 2.98497 TIMING: 408800 CPU: 1291.21, 0.0031597/step Wall: 1291.21, 0.0031597/step, 4.02967 hours remaining, 233.683594 MB of memory in use. ENERGY: 408800 4060.1528 20345.0013 14453.8931 264.1055 -202908.4932 2272.4231 0.0000 0.0000 52107.6188 -109405.2985 299.4632 -161512.9173 -109043.4397 299.0528 -213.0954 -177.5992 762926.6824 14.2447 14.2785 PRESSURE: 409000 -196.865 -102.443 409.681 -102.443 -51.6792 -6.46694 409.682 -6.46753 503.891 GPRESSURE: 409000 -191.093 -177.333 408.704 -92.7981 46.5631 -14.2507 330.915 175.69 473.493 PRESSAVG: 409000 16.8875 -56.6569 -1.58856 -56.657 35.1352 -10.2477 -1.58856 -10.2477 -10.2379 GPRESSAVG: 409000 15.9907 -55.3412 0.055246 -56.8504 35.0722 -9.85013 -3.61204 -8.92684 -9.62664 TIMING: 409000 CPU: 1291.84, 0.00314672/step Wall: 1291.84, 0.00314672/step, 4.01295 hours remaining, 233.683594 MB of memory in use. ENERGY: 409000 4043.8323 20600.2455 14520.8662 251.6717 -202892.9588 2623.3876 0.0000 0.0000 51881.7480 -108971.2075 298.1651 -160852.9555 -108612.5009 299.5474 85.1157 109.6541 763021.7310 13.9283 13.8121 PRESSURE: 409200 -189.749 155.825 -65.8855 155.825 -17.1715 -33.5104 -65.8858 -33.5103 -236.128 GPRESSURE: 409200 -221.474 13.832 -38.6995 157.365 68.5134 -14.905 -65.0507 -93.2953 -191.637 PRESSAVG: 409200 25.5087 -37.8412 -6.04565 -37.8413 -32.165 -58.7147 -6.04561 -58.7147 17.1409 GPRESSAVG: 409200 24.7513 -38.363 -7.14667 -38.2449 -31.328 -59.077 -5.82063 -61.0259 17.7764 TIMING: 409200 CPU: 1292.47, 0.00316316/step Wall: 1292.47, 0.00316316/step, 4.03373 hours remaining, 233.683594 MB of memory in use. ENERGY: 409200 4053.5588 20591.8566 14467.4711 256.1573 -202975.4242 2403.9763 0.0000 0.0000 52179.2309 -109023.1732 299.8748 -161202.4041 -108668.9860 299.9440 -147.6827 -114.8659 763095.8018 3.4949 3.7333 PRESSURE: 409400 -439.434 164.896 102.823 164.896 -317.141 237.379 102.823 237.378 226.641 GPRESSURE: 409400 -367.208 172.967 127.466 241.086 -243.075 197.733 -37.2545 188.172 151.734 PRESSAVG: 409400 -15.2383 1.84084 -9.78357 1.84086 12.3564 -24.205 -9.7836 -24.2049 -11.5795 GPRESSAVG: 409400 -15.7103 2.95024 -8.91138 2.52535 12.4676 -22.1414 -9.72906 -26.9049 -11.758 TIMING: 409400 CPU: 1293.1, 0.00315052/step Wall: 1293.1, 0.00315052/step, 4.01743 hours remaining, 233.683594 MB of memory in use. ENERGY: 409400 3962.3740 20665.7899 14458.6699 233.2082 -203280.8569 2823.3874 0.0000 0.0000 51884.8860 -109252.5415 298.1832 -161137.4275 -108897.5128 299.3527 -176.6444 -152.8495 762434.2960 -4.8205 -5.0002 PRESSURE: 409600 298.906 56.6264 -219.4 56.6263 136.802 109.777 -219.4 109.777 -584.814 GPRESSURE: 409600 332.311 59.0772 -113.248 52.4149 172.998 174.242 -62.5612 16.969 -588.501 PRESSAVG: 409600 -1.69069 35.9696 7.32939 35.9697 -5.94207 -15.7395 7.32933 -15.7395 3.8449 GPRESSAVG: 409600 -0.0699315 34.1347 7.43109 35.8618 -7.14838 -15.7481 6.40132 -12.4818 3.55431 TIMING: 409600 CPU: 1293.73, 0.00314083/step Wall: 1293.73, 0.00314083/step, 4.00491 hours remaining, 233.683594 MB of memory in use. ENERGY: 409600 4003.3668 20452.1412 14498.8514 235.6254 -203722.1879 2952.8094 0.0000 0.0000 52177.6106 -109401.7830 299.8654 -161579.3936 -109037.6719 298.9618 -49.7020 -27.7309 762298.6995 -1.2626 -1.2213 PRESSURE: 409800 26.3105 -36.0566 89.5971 -36.0572 -392.288 -130.532 89.5964 -130.533 187.92 GPRESSURE: 409800 -22.1316 -62.5195 66.4802 34.3347 -271.226 -94.8084 44.4971 25.6719 176.454 PRESSAVG: 409800 14.1827 -24.1701 -14.9047 -24.1701 -14.3469 -85.5298 -14.9046 -85.5298 17.3024 GPRESSAVG: 409800 13.1573 -23.1783 -15.3732 -23.9023 -14.1501 -87.7051 -12.0574 -86.5944 18.2069 TIMING: 409800 CPU: 1294.36, 0.00314513/step Wall: 1294.36, 0.00314513/step, 4.01022 hours remaining, 233.683594 MB of memory in use. ENERGY: 409800 3954.3380 20408.1623 14457.9361 255.6483 -203219.3505 2677.9992 0.0000 0.0000 51948.8076 -109516.4592 298.5505 -161465.2667 -109152.1168 298.7685 -59.3526 -38.9677 764001.2020 5.7127 5.7380 PRESSURE: 410000 -23.4717 190.72 249.063 190.721 -126.3 -59.7657 249.063 -59.7656 167.735 GPRESSURE: 410000 -20.672 238.188 213.948 0.230841 -68.3079 -139.488 81.2637 -241.412 203.013 PRESSAVG: 410000 -22.0664 19.4786 1.10017 19.4786 30.0192 -23.8054 1.10016 -23.8053 4.22601 GPRESSAVG: 410000 -22.6598 19.7222 0.388923 18.6892 30.4487 -24.6493 -1.09817 -22.7897 4.02879 TIMING: 410000 CPU: 1294.99, 0.00313161/step Wall: 1294.99, 0.00313161/step, 3.99281 hours remaining, 233.683594 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: 410000 4010.1698 20411.8676 14472.5438 243.1675 -203272.7862 2843.9774 0.0000 0.0000 51907.6981 -109383.3619 298.3143 -161291.0601 -109028.2168 298.6790 5.9878 38.0110 764199.2196 4.0596 3.9392 PRESSURE: 410200 274.37 24.2959 163.585 24.2962 -42.4906 107.169 163.584 107.169 148.012 GPRESSURE: 410200 302.504 -87.4128 235.588 20.03 70.8631 77.5878 93.5639 30.4325 94.5884 PRESSAVG: 410200 9.88678 2.6893 -17.0286 2.68927 18.1092 -42.8792 -17.0286 -42.8792 10.3617 GPRESSAVG: 410200 9.52023 1.33371 -15.4671 4.04854 17.529 -41.1471 -18.3247 -45.6559 11.1649 TIMING: 410200 CPU: 1295.61, 0.00314417/step Wall: 1295.61, 0.00314417/step, 4.00865 hours remaining, 233.683594 MB of memory in use. ENERGY: 410200 3908.4538 20380.4226 14415.9808 247.8206 -203152.3411 2626.3478 0.0000 0.0000 52182.0425 -109391.2730 299.8909 -161573.3156 -109023.6335 299.0721 126.6306 155.9851 764220.7494 12.7859 12.7380 PRESSURE: 410400 -30.4186 -149.163 106.465 -149.163 42.6868 46.4229 106.466 46.4225 217.226 GPRESSURE: 410400 -28.1416 -78.8625 131.858 -71.0794 93.9007 -29.2183 91.0767 137.794 270.484 PRESSAVG: 410400 -48.0394 19.6566 42.86 19.6565 49.4923 -46.1271 42.8601 -46.1272 43.4304 GPRESSAVG: 410400 -47.1445 22.1056 40.7895 17.3591 49.9422 -46.4196 45.4095 -44.0748 42.2672 TIMING: 410400 CPU: 1296.25, 0.00316641/step Wall: 1296.25, 0.00316641/step, 4.03682 hours remaining, 233.683594 MB of memory in use. ENERGY: 410400 3936.3636 20400.4742 14516.1841 267.0141 -202745.1377 2347.4643 0.0000 0.0000 52015.6203 -109262.0170 298.9345 -161277.6373 -108908.7474 298.7706 76.4981 112.0809 763985.1364 14.9611 15.0216 PRESSURE: 410600 37.4107 -72.7418 -18.3277 -72.7422 125.179 192.275 -18.3274 192.274 -33.1585 GPRESSURE: 410600 27.7276 -5.40456 -0.916431 48.1793 179.309 311.366 38.6129 66.3325 10.1568 PRESSAVG: 410600 12.3335 -27.8421 5.69653 -27.8421 0.303042 -25.3069 5.69654 -25.3068 -1.54228 GPRESSAVG: 410600 12.9109 -29.3558 5.82322 -25.2136 -0.000933156 -25.8589 5.16548 -25.1181 -1.31925 TIMING: 410600 CPU: 1296.88, 0.00315002/step Wall: 1296.88, 0.00315002/step, 4.01576 hours remaining, 233.683594 MB of memory in use. ENERGY: 410600 3972.5814 20284.0271 14563.1022 271.4876 -202979.9237 2518.2908 0.0000 0.0000 51847.2873 -109523.1474 297.9671 -161370.4347 -109162.8790 298.8445 43.1436 72.3979 762184.0552 3.6981 3.8636 PRESSURE: 410800 196.825 -65.952 -77.0587 -65.952 -65.7001 -62.1433 -77.0592 -62.1441 -202.299 GPRESSURE: 410800 232.409 -129.116 -188.921 93.9228 -53.0926 -31.4311 13.0399 3.07074 -181.793 PRESSAVG: 410800 34.1498 11.0525 -54.0613 11.0525 -12.0849 -60.7564 -54.0613 -60.7564 -4.95758 GPRESSAVG: 410800 34.5546 9.53302 -54.4944 12.1755 -13.18 -60.7434 -53.5739 -61.683 -4.08123 TIMING: 410800 CPU: 1297.51, 0.00316921/step Wall: 1297.51, 0.00316921/step, 4.04003 hours remaining, 233.683594 MB of memory in use. ENERGY: 410800 3954.0221 20490.2823 14454.6144 242.6243 -203113.9751 2479.8071 0.0000 0.0000 51714.6731 -109777.9518 297.2049 -161492.6249 -109413.9232 297.7621 -23.7246 -0.8252 762836.2683 5.7025 5.7645 PRESSURE: 411000 -480.611 -48.135 -21.9802 -48.1349 43.4042 -63.5232 -21.9798 -63.5239 -105.655 GPRESSURE: 411000 -459.317 -142.374 93.2063 -80.989 12.537 -59.7092 -107.249 -30.3112 -7.84528 PRESSAVG: 411000 64.5389 23.1267 3.24052 23.1266 -52.7501 -26.986 3.24049 -26.9859 -11.7762 GPRESSAVG: 411000 64.0984 22.5667 5.74528 21.1609 -52.4586 -26.4605 1.89552 -26.0109 -11.4332 TIMING: 411000 CPU: 1298.14, 0.00314462/step Wall: 1298.14, 0.00314462/step, 4.00851 hours remaining, 233.683594 MB of memory in use. ENERGY: 411000 3971.5117 20376.8706 14497.4021 233.2453 -203089.9445 2438.0736 0.0000 0.0000 51805.1596 -109767.6816 297.7250 -161572.8412 -109413.2812 297.9819 -180.9538 -151.5418 764241.2503 0.0042 0.0689 PRESSURE: 411200 102.478 -113.673 -28.6651 -113.675 26.5279 -352.177 -28.6643 -352.177 107.442 GPRESSURE: 411200 147.484 -126.565 -114.433 -42.6151 101.473 -375.701 44.3022 -322.258 79.7883 PRESSAVG: 411200 17.9791 -58.3085 -11.8926 -58.3085 -28.094 -44.0692 -11.8927 -44.0692 -23.2377 GPRESSAVG: 411200 19.1275 -59.0682 -11.7121 -55.8561 -28.5267 -44.2719 -11.0351 -44.0181 -23.9812 TIMING: 411200 CPU: 1298.77, 0.00316347/step Wall: 1298.77, 0.00316347/step, 4.03237 hours remaining, 233.750000 MB of memory in use. ENERGY: 411200 4006.7798 20310.2340 14483.9529 232.0211 -202951.3212 2522.2934 0.0000 0.0000 51852.2971 -109543.7428 297.9959 -161396.0400 -109186.6025 298.5088 78.8158 109.5818 763978.0904 -11.1176 -11.1268 PRESSURE: 411400 43.3596 -104.157 -169.193 -104.157 -89.6688 25.5671 -169.193 25.5683 -114.109 GPRESSURE: 411400 -20.816 -10.0119 -202.809 -47.2656 -4.55124 -29.9341 -108.355 -79.8987 -34.8447 PRESSAVG: 411400 51.4877 8.86519 -25.9598 8.86521 -78.3766 -53.2451 -25.9597 -53.245 7.51083 GPRESSAVG: 411400 50.0029 12.4074 -28.6244 7.18569 -77.8186 -51.828 -24.8526 -53.7088 8.32578 TIMING: 411400 CPU: 1299.4, 0.00315377/step Wall: 1299.4, 0.00315377/step, 4.01983 hours remaining, 233.750000 MB of memory in use. ENERGY: 411400 3968.4697 20456.5308 14421.9272 231.3923 -203300.4970 3040.0652 0.0000 0.0000 51561.1852 -109620.9265 296.3228 -161182.1117 -109274.2338 298.2864 -53.4726 -20.0707 763437.5725 -6.4594 -6.4966 PRESSURE: 411600 -116.407 -310.39 387.548 -310.391 -278.638 56.4584 387.548 56.458 -361.461 GPRESSURE: 411600 -64.4775 -268.238 424.47 -349.324 -213.462 45.2011 157.364 -54.7422 -374.065 PRESSAVG: 411600 33.6193 -16.5576 37.9311 -16.5575 -69.4754 -20.6719 37.931 -20.6719 6.18336 GPRESSAVG: 411600 33.746 -16.5805 38.7626 -18.5745 -67.571 -23.1183 36.3062 -20.0488 5.10816 TIMING: 411600 CPU: 1300.04, 0.003159/step Wall: 1300.04, 0.003159/step, 4.02633 hours remaining, 233.750000 MB of memory in use. ENERGY: 411600 4016.7258 20263.2629 14476.5399 256.2516 -203068.8932 2628.3487 0.0000 0.0000 51752.5414 -109675.2229 297.4226 -161427.7643 -109316.6537 298.2131 -252.1687 -217.3349 764039.8140 -9.8909 -9.5723 PRESSURE: 411800 -163.787 -9.22997 -107.754 -9.2298 -298.955 135.564 -107.754 135.565 -234.237 GPRESSURE: 411800 -77.2034 -45.7404 -188.63 32.4767 -271.152 101.552 -80.8951 150.979 -275.937 PRESSAVG: 411800 -0.779679 -9.71936 17.7465 -9.71946 18.8966 12.7628 17.7464 12.7627 0.138386 GPRESSAVG: 411800 -0.605439 -11.8411 18.98 -6.7933 19.5205 15.0351 19.2192 12.2617 -0.508725 TIMING: 411800 CPU: 1300.66, 0.00312282/step Wall: 1300.66, 0.00312282/step, 3.98004 hours remaining, 233.750000 MB of memory in use. ENERGY: 411800 3988.5655 20572.6197 14480.2958 245.0585 -203593.3715 2752.8956 0.0000 0.0000 52042.8414 -109511.0949 299.0909 -161553.9363 -109144.4512 299.1338 -232.3264 -208.0975 764967.1389 6.0851 6.1354 PRESSURE: 412000 -298.462 -26.1765 82.1054 -26.1763 72.0783 30.3482 82.1043 30.3482 -231.417 GPRESSURE: 412000 -216.332 -143.921 78.3552 103.227 53.296 -59.7394 143.528 -3.75715 -215.164 PRESSAVG: 412000 32.737 -47.3587 61.419 -47.3587 -15.0296 -12.7809 61.419 -12.7809 -29.193 GPRESSAVG: 412000 33.2653 -47.0862 62.1505 -48.4851 -15.6712 -13.4894 59.6869 -15.2568 -28.7282 TIMING: 412000 CPU: 1301.29, 0.00315437/step Wall: 1301.29, 0.00315437/step, 4.02007 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: 412000 3984.4002 20604.7372 14544.2481 245.9793 -203442.0541 2874.7158 0.0000 0.0000 51821.1287 -109366.8447 297.8167 -161187.9735 -109007.1513 298.5807 -152.6002 -126.0668 763507.6143 -3.8285 -3.7114 PRESSURE: 412200 110.971 -188.556 -113.116 -188.556 -158.795 -130.233 -113.117 -130.234 210.119 GPRESSURE: 412200 133.089 -252.124 -68.1606 -200.315 -186.712 -105.542 46.7905 -40.6446 286.998 PRESSAVG: 412200 21.2205 -25.6225 29.1952 -25.6225 19.4268 -37.632 29.1952 -37.6319 -20.2587 GPRESSAVG: 412200 19.8691 -24.3809 30.781 -25.2709 19.0432 -37.3461 29.516 -34.9967 -18.8294 TIMING: 412200 CPU: 1301.93, 0.00317797/step Wall: 1301.93, 0.00317797/step, 4.04997 hours remaining, 233.750000 MB of memory in use. ENERGY: 412200 3877.6483 20654.4130 14426.4190 240.1010 -203313.6173 2751.1078 0.0000 0.0000 52002.5499 -109361.3783 298.8594 -161363.9282 -109004.2729 299.0758 54.0982 77.7916 762921.3139 6.7962 6.6943 LDB: ============= START OF LOAD BALANCING ============== 1314.46 LDB: ============== END OF LOAD BALANCING =============== 1314.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1314.46 LDB: ============= START OF LOAD BALANCING ============== 1314.78 LDB: Largest compute 7029 load 0.030351 is 15.5% of average load 0.195188 LDB: Average compute 0.004400 is 2.3% of average load 0.195188 LDB: TIME 1314.78 LOAD: AVG 0.195188 MAX 0.215551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.613 MB LDB: TIME 1314.78 LOAD: AVG 0.195188 MAX 0.215551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: TIME 1314.78 LOAD: AVG 0.195188 MAX 0.215551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: ============== END OF LOAD BALANCING =============== 1314.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1314.79 PRESSURE: 412400 97.1724 376.045 2.03079 376.046 137.474 -43.2873 2.03046 -43.2869 177.537 GPRESSURE: 412400 157.149 174.249 -54.3995 234.728 226.972 41.7496 -54.8404 9.56616 142.108 PRESSAVG: 412400 -4.06609 9.73411 2.19271 9.73418 -11.6129 -50.3645 2.19271 -50.3644 18.844 GPRESSAVG: 412400 -3.12941 9.78397 -1.80939 9.52904 -11.1211 -50.7361 2.64726 -49.793 17.5347 TIMING: 412400 CPU: 1302.57, 0.00323069/step Wall: 1302.57, 0.00323069/step, 4.11697 hours remaining, 232.355469 MB of memory in use. ENERGY: 412400 4007.8620 20437.2529 14508.2589 245.9457 -203264.0317 2837.3670 0.0000 0.0000 52072.9266 -109154.4186 299.2638 -161227.3452 -108790.6232 299.1097 137.3947 175.4097 761795.7761 1.0550 1.0947 PRESSURE: 412600 -134.183 -204.045 39.33 -204.045 149.223 -51.1593 39.3307 -51.1604 100.743 GPRESSURE: 412600 -70.764 -207.303 91.3433 -238.454 205.107 22.8769 59.007 -126.565 87.7502 PRESSAVG: 412600 31.9979 -34.8011 81.7679 -34.8011 -48.8663 -4.24951 81.7678 -4.24945 -19.7299 GPRESSAVG: 412600 31.0769 -33.5734 83.5494 -34.8022 -47.781 -3.77118 81.9301 -4.61263 -20.3606 TIMING: 412600 CPU: 1303.21, 0.00317052/step Wall: 1303.21, 0.00317052/step, 4.04012 hours remaining, 232.414062 MB of memory in use. ENERGY: 412600 3968.6434 20494.4568 14512.5832 228.8993 -203281.9452 2782.7123 0.0000 0.0000 52101.0746 -109193.5757 299.4256 -161294.6503 -108830.7617 299.4795 38.5945 74.0309 762403.9110 -12.1994 -12.3549 PRESSURE: 412800 73.8617 -156.132 278.128 -156.132 -56.4924 -55.525 278.128 -55.525 170.213 GPRESSURE: 412800 59.9656 -106.678 191.362 -106.718 2.72681 50.5127 226.102 -57.3143 217.141 PRESSAVG: 412800 105.784 -43.1066 66.8009 -43.1065 -82.507 57.0715 66.8009 57.0714 14.293 GPRESSAVG: 412800 105.376 -44.9287 65.6666 -41.621 -83.7935 56.3437 67.5746 57.0052 15.4862 TIMING: 412800 CPU: 1303.84, 0.00317615/step Wall: 1303.84, 0.00317615/step, 4.04712 hours remaining, 232.414062 MB of memory in use. ENERGY: 412800 4033.5289 20356.8999 14522.5333 243.1385 -203532.0563 2953.3279 0.0000 0.0000 51942.8047 -109479.8231 298.5160 -161422.6277 -109117.0418 298.8977 62.5275 93.2776 761659.2718 12.5235 12.3564 PRESSURE: 413000 -205.711 102.153 87.5705 102.153 -339.692 43.8541 87.5704 43.8542 -377.233 GPRESSURE: 413000 -143.275 175.291 104.495 161.836 -274.144 -48.1518 4.88829 109.247 -407.104 PRESSAVG: 413000 33.9941 12.1437 -2.42696 12.1438 -47.3962 15.5188 -2.42695 15.5188 -13.9889 GPRESSAVG: 413000 34.9497 11.4837 -1.77618 12.4033 -47.6758 16.1526 -2.56295 15.9422 -14.3373 TIMING: 413000 CPU: 1304.48, 0.0031653/step Wall: 1304.48, 0.0031653/step, 4.03313 hours remaining, 232.414062 MB of memory in use. ENERGY: 413000 3997.0531 20346.6527 14440.6773 240.0997 -203122.3483 2840.2732 0.0000 0.0000 51979.7314 -109277.8608 298.7282 -161257.5922 -108925.6292 299.0030 -307.5452 -274.8411 763398.5680 -9.1303 -9.0211 PRESSURE: 413200 -202.317 -64.7372 157.085 -64.7376 -379.735 -42.462 157.086 -42.4615 -389.411 GPRESSURE: 413200 -157.857 -46.5233 172.28 -76.8019 -316.959 -47.4329 162.855 -38.5674 -408.555 PRESSAVG: 413200 64.8829 12.2092 21.0285 12.2091 -40.423 9.72635 21.0286 9.72643 -12.2856 GPRESSAVG: 413200 63.9341 14.0274 21.8542 10.2989 -38.3438 10.1764 18.8536 7.69506 -13.4727 TIMING: 413200 CPU: 1305.11, 0.00315502/step Wall: 1305.11, 0.00315502/step, 4.01985 hours remaining, 232.414062 MB of memory in use. ENERGY: 413200 3992.7439 20436.1954 14403.1554 255.2382 -203051.0287 2617.8659 0.0000 0.0000 52098.2403 -109247.5895 299.4093 -161345.8298 -108878.8471 299.4093 -323.8209 -294.4570 764380.7117 4.0581 4.0392 PRESSURE: 413400 145.681 75.07 -106.554 75.0694 -196.216 201.729 -106.553 201.729 192.269 GPRESSURE: 413400 169.471 143.155 -144.709 73.2316 -178.029 264.299 -53.5545 219.2 230.155 PRESSAVG: 413400 40.73 -38.7332 6.02944 -38.7332 13.9404 24.5591 6.02948 24.5592 12.9729 GPRESSAVG: 413400 41.5215 -39.0889 5.58624 -38.6085 11.4997 23.4444 8.73381 25.6047 14.1213 TIMING: 413400 CPU: 1305.74, 0.00316194/step Wall: 1305.74, 0.00316194/step, 4.02849 hours remaining, 232.414062 MB of memory in use. ENERGY: 413400 4056.9173 20449.6768 14390.4666 252.3097 -203415.6727 2866.1168 0.0000 0.0000 52128.0316 -109272.1539 299.5805 -161400.1854 -108911.1427 299.0836 47.2448 73.8658 763489.9538 22.5478 22.3808 PRESSURE: 413600 -297.833 29.9461 -235.422 29.9466 -601.705 -124.385 -235.421 -124.385 35.0713 GPRESSURE: 413600 -269.194 49.4333 -188.107 -54.2579 -542.341 -173.287 -88.7536 -169.097 5.48832 PRESSAVG: 413600 -9.22982 -17.1775 9.41065 -17.1775 -48.3174 6.94446 9.41067 6.94446 -27.8348 GPRESSAVG: 413600 -9.9954 -17.5487 10.0126 -16.5049 -46.8198 6.1875 8.79509 7.91124 -28.6223 TIMING: 413600 CPU: 1306.37, 0.00317277/step Wall: 1306.37, 0.00317277/step, 4.04211 hours remaining, 232.414062 MB of memory in use. ENERGY: 413600 3975.9620 20525.1843 14434.7432 269.7882 -202852.4228 2267.4924 0.0000 0.0000 51991.6594 -109387.5932 298.7968 -161379.2526 -109014.6356 299.0430 -288.1557 -268.6821 764358.7481 -28.4607 -28.4792 PRESSURE: 413800 66.2999 106.981 -46.3555 106.98 -80.8334 130.331 -46.3557 130.331 -54.248 GPRESSURE: 413800 165.73 12.8367 -31.4317 113.935 -27.3657 121.333 -100.082 165.709 -109.93 PRESSAVG: 413800 13.7999 43.7426 -15.9423 43.7426 -60.6842 24.5506 -15.9423 24.5507 22.0291 GPRESSAVG: 413800 15.6487 42.9148 -16.0194 44.3391 -60.3679 24.3771 -16.2157 23.441 20.7265 TIMING: 413800 CPU: 1307, 0.00315723/step Wall: 1307, 0.00315723/step, 4.02214 hours remaining, 232.414062 MB of memory in use. ENERGY: 413800 4028.8394 20562.2021 14427.5161 234.7561 -203567.1379 2972.4138 0.0000 0.0000 52102.3942 -109239.0162 299.4332 -161341.4104 -108876.2492 299.0875 -22.9271 9.4781 763317.7883 -8.2851 -7.9976 PRESSURE: 414000 17.6806 69.2095 -96.6865 69.2095 91.0639 145.082 -96.6869 145.082 534.389 GPRESSURE: 414000 64.328 80.9009 -166.016 138.185 134.9 117.171 -92.2349 175.497 548.732 PRESSAVG: 414000 60.0755 -19.4665 -27.5891 -19.4666 -56.0432 46.4664 -27.5891 46.4664 4.49592 GPRESSAVG: 414000 57.8516 -19.4378 -27.5951 -19.0689 -56.0384 46.677 -27.0065 47.4534 6.58658 TIMING: 414000 CPU: 1307.64, 0.00315986/step Wall: 1307.64, 0.00315986/step, 4.02531 hours remaining, 232.414062 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: 414000 3976.7842 20572.6286 14484.3574 237.6183 -203324.3687 2858.4524 0.0000 0.0000 52107.0081 -109087.5197 299.4597 -161194.5278 -108731.2679 298.8924 214.3778 249.3202 764085.0100 2.8427 2.7999 PRESSURE: 414200 -139.401 -35.165 43.8449 -35.1652 -89.9723 -68.8207 43.8445 -68.8209 11.0087 GPRESSURE: 414200 -76.8883 42.791 49.4803 -149.223 -51.4736 -63.6407 -28.5859 -147.945 -2.17812 PRESSAVG: 414200 8.9978 -34.9152 -19.8792 -34.9152 -8.03998 -29.2217 -19.8793 -29.2217 -6.1719 GPRESSAVG: 414200 9.5813 -34.0779 -20.2871 -33.5786 -8.09036 -30.4289 -20.1923 -27.5822 -6.14214 TIMING: 414200 CPU: 1308.27, 0.00316391/step Wall: 1308.27, 0.00316391/step, 4.03029 hours remaining, 232.414062 MB of memory in use. ENERGY: 414200 3927.8752 20695.6372 14531.9978 248.0269 -203158.3984 2580.3655 0.0000 0.0000 52202.7996 -108971.6963 300.0102 -161174.4958 -108601.6204 300.2421 -72.7883 -43.5133 765170.9104 -1.7380 -1.5504 PRESSURE: 414400 61.957 -188.967 74.3083 -188.967 -154.332 176.146 74.3073 176.144 -152.305 GPRESSURE: 414400 23.5184 -113.818 100.341 -185.479 -151.062 92.7988 126.243 32.2651 -14.9319 PRESSAVG: 414400 11.5324 -33.2903 -8.20894 -33.2903 72.3233 19.3331 -8.20899 19.333 1.54395 GPRESSAVG: 414400 12.3786 -33.2974 -8.02656 -34.2138 71.9757 18.3662 -7.77364 19.702 1.13704 TIMING: 414400 CPU: 1308.9, 0.00317352/step Wall: 1308.9, 0.00317352/step, 4.04237 hours remaining, 232.414062 MB of memory in use. ENERGY: 414400 3958.3782 20622.2387 14504.8236 253.8664 -203238.6868 2820.7826 0.0000 0.0000 52235.2034 -108843.3940 300.1964 -161078.5973 -108480.9224 299.9720 -81.5600 -47.4917 763670.1581 28.4666 28.4971 PRESSURE: 414600 -337.516 -7.83205 -218.176 -7.83222 -424.992 153.826 -218.176 153.826 -368.984 GPRESSURE: 414600 -283.902 11.5078 -163.622 -36.1396 -452.566 108.857 -237.071 108.046 -310.091 PRESSAVG: 414600 32.2391 -40.4607 35.9428 -40.4608 -6.23758 -1.69222 35.9429 -1.69224 -3.6883 GPRESSAVG: 414600 31.99 -41.1797 36.6685 -40.5834 -5.84834 -0.880169 34.7058 -2.78729 -3.90775 TIMING: 414600 CPU: 1309.53, 0.00314805/step Wall: 1309.53, 0.00314805/step, 4.00974 hours remaining, 232.414062 MB of memory in use. ENERGY: 414600 3982.3111 20697.2469 14492.7943 254.6728 -202954.1771 2364.0793 0.0000 0.0000 52218.1870 -108944.8857 300.0986 -161163.0727 -108577.3116 300.0451 -377.1640 -348.8528 765259.3713 7.4377 7.4113 PRESSURE: 414800 40.3477 162.685 -82.6116 162.685 -189.008 3.84772 -82.6119 3.84741 370.23 GPRESSURE: 414800 90.6618 149.783 -96.1369 118.643 -142.508 -36.3761 67.2651 53.4537 350.58 PRESSAVG: 414800 -50.7242 31.994 32.0702 31.994 -12.0016 23.9018 32.0702 23.9018 -16.4502 GPRESSAVG: 414800 -52.5716 32.284 29.5877 31.506 -11.7318 24.1795 33.2561 25.0579 -14.2556 TIMING: 414800 CPU: 1310.16, 0.00314683/step Wall: 1310.16, 0.00314683/step, 4.00802 hours remaining, 232.402344 MB of memory in use. ENERGY: 414800 3972.1848 20623.4233 14520.9885 251.2565 -203139.2690 2725.3184 0.0000 0.0000 52332.1762 -108713.9213 300.7537 -161046.0975 -108339.6049 300.1718 73.8566 99.5777 765417.0379 -26.3920 -26.1863 PRESSURE: 415000 -1.90509 138.784 384.422 138.784 -86.8233 -62.0137 384.422 -62.0139 48.302 GPRESSURE: 415000 7.55857 148.746 314.002 47.6386 -31.1673 -108.432 251.288 10.2135 62.7141 PRESSAVG: 415000 48.628 -14.193 -3.52314 -14.1929 -41.6067 8.06189 -3.52312 8.06189 1.50911 GPRESSAVG: 415000 50.0613 -15.949 -2.58451 -12.7462 -41.8312 8.65334 -4.1437 8.24721 0.376847 TIMING: 415000 CPU: 1310.79, 0.00315437/step Wall: 1310.79, 0.00315437/step, 4.01744 hours remaining, 232.402344 MB of memory in use. ENERGY: 415000 4066.2689 20536.6083 14467.1168 262.5002 -203221.1629 2728.8467 0.0000 0.0000 52166.7117 -108993.1104 299.8028 -161159.8221 -108627.8082 299.5735 -13.4755 13.0351 763619.2404 2.8435 2.8690 PRESSURE: 415200 329.3 56.2081 -64.5304 56.2083 3.81588 -188.46 -64.531 -188.46 -19.2422 GPRESSURE: 415200 414.287 100.254 -101.509 195.282 -31.3161 -146.763 -87.2604 -262.813 28.3611 PRESSAVG: 415200 52.1727 -6.10312 -15.2708 -6.10318 -15.6028 -43.6438 -15.2709 -43.6439 35.814 GPRESSAVG: 415200 52.7717 -6.15801 -15.5389 -6.77343 -16.0644 -42.3004 -16.3859 -44.5896 35.872 TIMING: 415200 CPU: 1311.42, 0.00315457/step Wall: 1311.42, 0.00315457/step, 4.01752 hours remaining, 232.468750 MB of memory in use. ENERGY: 415200 3969.5037 20682.2068 14474.9921 249.4107 -202987.3505 2471.0191 0.0000 0.0000 52247.3190 -108892.8990 300.2661 -161140.2180 -108529.1935 299.9423 104.6246 137.1106 762140.9937 24.1280 24.1931 PRESSURE: 415400 -132.228 -20.5163 -102.944 -20.5178 -340.413 -126.29 -102.945 -126.29 -12.8925 GPRESSURE: 415400 -73.6443 -55.9579 4.41362 -9.05827 -391.086 -100.183 -31.1877 -75.3544 63.6211 PRESSAVG: 415400 20.5821 -2.67061 -20.3293 -2.67063 -18.6593 -16.3006 -20.3293 -16.3006 -11.4018 GPRESSAVG: 415400 21.5728 -1.22645 -19.8118 -4.71969 -18.5736 -16.6797 -18.265 -18.0361 -12.1138 TIMING: 415400 CPU: 1312.06, 0.00317177/step Wall: 1312.06, 0.00317177/step, 4.03924 hours remaining, 232.480469 MB of memory in use. ENERGY: 415400 4012.7715 20581.0156 14441.4334 253.7091 -203382.0960 2837.7144 0.0000 0.0000 52302.0541 -108953.3980 300.5806 -161255.4521 -108592.6319 300.0782 -161.8446 -133.7030 763012.5217 -3.1597 -3.0382 PRESSURE: 415600 47.1819 -54.4675 -68.1232 -54.4679 174.089 -189.072 -68.1239 -189.071 7.07026 GPRESSURE: 415600 56.735 -69.5083 8.40378 24.5674 210.183 -178.504 -99.7582 -206.802 35.0444 PRESSAVG: 415600 30.508 -18.3284 -7.9391 -18.3284 -38.0738 -18.9327 -7.93915 -18.9328 4.15029 GPRESSAVG: 415600 29.3919 -18.5752 -7.16486 -14.9208 -37.6988 -19.1523 -9.40972 -17.5844 4.55713 TIMING: 415600 CPU: 1312.69, 0.00315874/step Wall: 1312.69, 0.00315874/step, 4.02248 hours remaining, 232.480469 MB of memory in use. ENERGY: 415600 4012.6330 20590.1512 14499.2692 246.3892 -203115.7283 2592.9159 0.0000 0.0000 52155.6848 -109018.6850 299.7394 -161174.3697 -108661.9723 299.8866 76.1138 100.6540 761543.1914 -1.1385 -1.2499 PRESSURE: 415800 172.113 -158.57 -201.517 -158.57 -150.252 -46.905 -201.517 -46.9034 192.437 GPRESSURE: 415800 192.689 -288.412 -290.296 -180.758 -99.0273 -45.8575 -51.6646 5.06672 193.037 PRESSAVG: 415800 11.5992 8.36914 27.0881 8.3691 25.6361 -39.9266 27.0881 -39.9266 4.56014 GPRESSAVG: 415800 11.8345 8.8376 26.5442 6.09291 26.4529 -40.5712 28.0717 -37.5853 3.43106 TIMING: 415800 CPU: 1313.32, 0.00313122/step Wall: 1313.32, 0.00313122/step, 3.98726 hours remaining, 232.480469 MB of memory in use. ENERGY: 415800 3950.6978 20589.4759 14513.7260 229.7748 -203459.0169 2710.8769 0.0000 0.0000 52487.5965 -108976.8691 301.6469 -161464.4656 -108615.2032 300.1548 71.4328 95.5661 761531.1381 13.9318 13.9062 PRESSURE: 416000 -64.2765 20.3676 -169.423 20.3676 -155.114 132.449 -169.422 132.449 16.353 GPRESSURE: 416000 -43.8212 -28.6377 -124.2 54.1181 -160.175 155.076 -91.8355 112.436 78.8968 PRESSAVG: 416000 21.1452 -8.40238 21.5724 -8.40229 -21.2775 -36.5505 21.5723 -36.5506 2.5695 GPRESSAVG: 416000 21.6391 -11.5085 21.6925 -8.80003 -22.135 -35.8729 21.8087 -38.957 2.55924 TIMING: 416000 CPU: 1313.95, 0.00315543/step Wall: 1313.95, 0.00315543/step, 4.01791 hours remaining, 232.480469 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: 416000 3973.2176 20650.8032 14506.3968 257.2516 -203314.5692 2709.3692 0.0000 0.0000 52001.9559 -109215.5750 298.8560 -161217.5309 -108854.2619 300.0026 -67.6792 -41.6999 763888.0627 0.8124 0.6878 PRESSURE: 416200 -371.134 -122.303 -15.7418 -122.303 92.2704 63.2888 -15.7417 63.288 -176.504 GPRESSURE: 416200 -232.656 -103.792 -2.78746 -74.3429 101.543 94.3422 0.681374 -2.39008 -227.923 PRESSAVG: 416200 -21.1508 -37.3908 28.0387 -37.3908 37.8065 -17.3293 28.0387 -17.3293 -1.58063 GPRESSAVG: 416200 -20.211 -33.7119 28.0675 -35.3946 36.3485 -17.4997 28.2728 -15.5387 -0.915605 TIMING: 416200 CPU: 1314.58, 0.00316013/step Wall: 1314.58, 0.00316013/step, 4.02372 hours remaining, 232.480469 MB of memory in use. ENERGY: 416200 3939.9974 20548.0268 14411.9619 251.7254 -203194.8133 2490.0458 0.0000 0.0000 51992.8454 -109560.2106 298.8036 -161553.0559 -109182.1280 298.9637 -151.7891 -119.6784 761951.7747 5.0250 5.0740 LDB: ============= START OF LOAD BALANCING ============== 1327.11 LDB: ============== END OF LOAD BALANCING =============== 1327.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1327.11 LDB: ============= START OF LOAD BALANCING ============== 1327.43 LDB: Largest compute 7069 load 0.030878 is 15.8% of average load 0.195224 LDB: Average compute 0.004382 is 2.2% of average load 0.195224 LDB: TIME 1327.43 LOAD: AVG 0.195224 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.273 MB LDB: TIME 1327.43 LOAD: AVG 0.195224 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: TIME 1327.43 LOAD: AVG 0.195224 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.273 MB LDB: ============== END OF LOAD BALANCING =============== 1327.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1327.44 PRESSURE: 416400 -119.401 20.1022 -67.7286 20.102 -44.9619 77.9805 -67.7286 77.9809 -135.718 GPRESSURE: 416400 -84.0277 59.5219 -85.0344 -50.7473 -96.1877 100.407 -170.722 80.0546 -52.1292 PRESSAVG: 416400 -6.39704 -34.6663 9.65445 -34.6664 2.57793 21.8345 9.65449 21.8345 -4.84461 GPRESSAVG: 416400 -7.22821 -35.5993 9.92125 -36.2944 3.0475 21.8668 5.92022 20.9909 -4.20064 TIMING: 416400 CPU: 1315.22, 0.00319962/step Wall: 1315.22, 0.00319962/step, 4.07383 hours remaining, 232.722656 MB of memory in use. ENERGY: 416400 4035.1405 20609.8619 14482.6132 246.6106 -203556.7737 2668.5392 0.0000 0.0000 52281.1757 -109232.8326 300.4606 -161514.0083 -108871.3548 298.9966 -100.0269 -77.4482 762994.7648 -2.8879 -2.7938 PRESSURE: 416600 200.287 -130.131 -53.3541 -130.131 -107 214.381 -53.3539 214.38 165.15 GPRESSURE: 416600 221.943 -154.64 71.8015 -75.0189 -2.7428 202.284 30.5688 254.709 131.389 PRESSAVG: 416600 28.8471 -81.5614 4.9258 -81.5613 -26.1224 -30.5366 4.92581 -30.5366 -1.23367 GPRESSAVG: 416600 28.0406 -80.2479 5.16077 -82.1942 -24.2454 -30.1136 7.4215 -33.3831 -2.57348 TIMING: 416600 CPU: 1315.85, 0.00317176/step Wall: 1315.85, 0.00317176/step, 4.03817 hours remaining, 232.925781 MB of memory in use. ENERGY: 416600 3908.8462 20793.3810 14509.4702 228.8687 -203286.1947 2752.5091 0.0000 0.0000 51975.6053 -109117.5142 298.7045 -161093.1196 -108764.8480 299.5139 86.1453 116.8631 763872.1952 0.4970 0.4072 PRESSURE: 416800 115.087 40.3532 245.52 40.3527 -82.0465 17.8852 245.52 17.8865 -135.601 GPRESSURE: 416800 143.256 -1.95436 315.276 65.0113 -33.7948 -84.1266 210.602 76.4913 -94.9705 PRESSAVG: 416800 21.495 -38.0127 65.4381 -38.0127 -22.6632 17.8464 65.4381 17.8464 10.1109 GPRESSAVG: 416800 21.4632 -38.7161 64.2483 -37.5788 -22.7957 18.3483 63.8306 18.5563 10.643 TIMING: 416800 CPU: 1316.49, 0.00319059/step Wall: 1316.49, 0.00319059/step, 4.06197 hours remaining, 232.925781 MB of memory in use. ENERGY: 416800 3968.1501 20426.0802 14415.5798 236.7622 -203271.7510 2747.4185 0.0000 0.0000 52089.5563 -109388.2039 299.3594 -161477.7602 -109026.7999 299.2118 -34.1867 4.8301 763080.8049 2.9809 3.1035 PRESSURE: 417000 69.0866 53.457 87.4656 53.4571 -264.523 -130.933 87.465 -130.933 129.748 GPRESSURE: 417000 200.497 92.6345 76.404 -29.9515 -228.978 -41.3421 163.466 -46.5119 35.4801 PRESSAVG: 417000 30.2872 -42.0062 47.0619 -42.0062 -28.4731 -26.8868 47.062 -26.8868 6.925 GPRESSAVG: 417000 31.1858 -42.437 47.7161 -42.0666 -30.2122 -26.8224 51.233 -26.4042 7.73734 TIMING: 417000 CPU: 1317.12, 0.00314552/step Wall: 1317.12, 0.00314552/step, 4.00442 hours remaining, 232.925781 MB of memory in use. ENERGY: 417000 3991.7237 20393.5789 14475.3913 259.1960 -203321.8586 2706.7066 0.0000 0.0000 52071.3386 -109423.9234 299.2547 -161495.2621 -109062.0401 298.5979 -21.8962 2.3329 763777.4008 2.9130 2.9037 PRESSURE: 417200 -37.3387 -150.214 193.842 -150.215 265.306 115.578 193.842 115.578 94.4249 GPRESSURE: 417200 -25.8377 -166.943 130.611 -241.842 230.522 127.724 275.399 -1.73807 182.342 PRESSAVG: 417200 1.34793 -97.0257 76.8119 -97.0258 -46.4286 22.9271 76.812 22.927 4.25412 GPRESSAVG: 417200 0.476857 -94.6309 76.4363 -97.7006 -45.5883 22.9931 74.6233 23.2621 4.27992 TIMING: 417200 CPU: 1317.75, 0.00315818/step Wall: 1317.75, 0.00315818/step, 4.02037 hours remaining, 232.925781 MB of memory in use. ENERGY: 417200 4008.1202 20557.6207 14417.1653 245.4225 -203485.5830 2894.0308 0.0000 0.0000 51971.9861 -109391.2373 298.6837 -161363.2235 -109044.1132 298.5134 107.4641 129.0088 761589.1542 -13.6088 -13.6105 PRESSURE: 417400 74.278 -76.4186 -103.699 -76.419 -150.128 124.286 -103.699 124.285 -213.623 GPRESSURE: 417400 88.9051 -253.171 -133.084 -17.587 -120.741 112.609 -52.8534 155.618 -182.1 PRESSAVG: 417400 35.6661 -80.3276 31.4555 -80.3276 31.2741 -12.8109 31.4555 -12.8108 19.6062 GPRESSAVG: 417400 35.8217 -81.2234 32.9145 -79.9888 31.7149 -13.7311 31.4396 -12.2336 19.6572 TIMING: 417400 CPU: 1318.39, 0.0031813/step Wall: 1318.39, 0.0031813/step, 4.04962 hours remaining, 232.925781 MB of memory in use. ENERGY: 417400 3992.8578 20488.7892 14442.2239 230.2643 -203129.3363 2445.2918 0.0000 0.0000 52164.6121 -109365.2973 299.7907 -161529.9094 -109014.6571 298.8895 -96.4910 -71.3121 761754.8462 28.8488 29.0646 PRESSURE: 417600 -29.8147 -11.7656 -21.5386 -11.7663 -9.01313 117.78 -21.5382 117.78 91.8333 GPRESSURE: 417600 31.7047 -13.4098 49.307 -125.513 51.2729 63.1188 -76.9903 189.272 64.4957 PRESSAVG: 417600 64.9021 12.011 96.9608 12.0109 -67.842 -27.1029 96.9608 -27.1029 -18.6707 GPRESSAVG: 417600 65.3903 11.918 95.8745 10.748 -68.5478 -27.7872 97.2274 -25.8072 -18.6138 TIMING: 417600 CPU: 1319.03, 0.0031823/step Wall: 1319.03, 0.0031823/step, 4.05072 hours remaining, 232.925781 MB of memory in use. ENERGY: 417600 3962.5526 20530.2807 14417.1137 242.7315 -203239.1090 2569.5055 0.0000 0.0000 52143.5261 -109373.3990 299.6696 -161516.9251 -109028.5686 298.8746 17.6685 49.1578 762923.0768 -7.2035 -7.2571 PRESSURE: 417800 9.91813 -60.5441 56.0034 -60.5445 202.307 42.0347 56.0036 42.0363 75.4299 GPRESSURE: 417800 87.435 -209.285 91.1531 55.5781 113.822 -41.0972 96.3067 103.458 150.605 PRESSAVG: 417800 -1.62611 15.6314 36.6197 15.6314 -23.3025 26.9887 36.6197 26.9887 -8.7346 GPRESSAVG: 417800 -2.92022 14.3081 36.3102 18.9716 -22.5495 27.602 36.1848 26.2602 -8.84348 TIMING: 417800 CPU: 1319.66, 0.00316985/step Wall: 1319.66, 0.00316985/step, 4.03469 hours remaining, 232.925781 MB of memory in use. ENERGY: 417800 3989.5178 20500.5694 14458.9810 271.4861 -203608.2953 2998.8814 0.0000 0.0000 51882.2105 -109506.6491 298.1678 -161388.8596 -109154.5252 298.8834 95.8850 117.2872 762389.3078 -11.2211 -11.4377 PRESSURE: 418000 -4.67265 -318.7 80.0914 -318.7 -50.4514 145.146 80.0919 145.147 -14.0206 GPRESSURE: 418000 59.1234 -221.105 78.1281 -295.783 -21.2709 161.181 117.66 68.5674 -18.7316 PRESSAVG: 418000 -9.32853 -24.741 66.0473 -24.7411 15.0699 31.1288 66.0474 31.1289 -3.07539 GPRESSAVG: 418000 -8.49044 -24.4572 67.3734 -27.1411 15.3185 30.6782 65.3878 30.5924 -3.33301 TIMING: 418000 CPU: 1320.3, 0.00318077/step Wall: 1320.3, 0.00318077/step, 4.04841 hours remaining, 232.925781 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: 418000 3986.4833 20562.6827 14488.3113 257.6362 -203501.3682 2781.0777 0.0000 0.0000 52040.0000 -109385.1770 299.0746 -161425.1770 -109021.7890 298.9366 -23.0482 6.3736 763242.2954 0.8887 1.1650 PRESSURE: 418200 -188.454 -64.9324 184.309 -64.9335 -494.743 -133.811 184.309 -133.81 12.1397 GPRESSURE: 418200 -129.128 -96.8196 135.465 -23.9484 -396.902 -151.959 115.38 -111.101 -79.6028 PRESSAVG: 418200 23.974 -20.8746 14.8164 -20.8746 -9.00336 8.29351 14.8164 8.2935 2.76795 GPRESSAVG: 418200 24.1886 -20.6747 13.3488 -20.0903 -8.41472 9.07388 14.5958 8.7146 2.07865 TIMING: 418200 CPU: 1320.93, 0.0031718/step Wall: 1320.93, 0.0031718/step, 4.03681 hours remaining, 232.925781 MB of memory in use. ENERGY: 418200 3976.9138 20526.0209 14496.6940 272.2901 -203974.5217 3033.6349 0.0000 0.0000 52230.0598 -109438.9081 300.1669 -161668.9679 -109071.4008 299.4946 -223.6859 -201.8774 761894.6456 5.9129 5.9509 PRESSURE: 418400 52.2215 250.039 -70.4118 250.039 212.684 -138.54 -70.4113 -138.539 186.1 GPRESSURE: 418400 72.5752 213.121 -5.47842 135.759 250.838 -186.339 -18.684 10.8694 214.573 PRESSAVG: 418400 4.7959 -34.6432 38.4865 -34.6432 5.80397 30.0248 38.4865 30.0248 -3.22723 GPRESSAVG: 418400 4.04517 -34.3437 39.0165 -35.0163 6.4643 30.5419 38.5406 29.0403 -3.08739 TIMING: 418400 CPU: 1321.56, 0.00316825/step Wall: 1321.56, 0.00316825/step, 4.03213 hours remaining, 232.925781 MB of memory in use. ENERGY: 418400 3947.5718 20525.0758 14469.4303 260.8212 -203373.9055 2904.6405 0.0000 0.0000 51984.2870 -109282.0789 298.7544 -161266.3659 -108930.0131 299.1589 150.3351 179.3287 762596.6896 2.4575 2.4740 PRESSURE: 418600 -225.713 23.1574 5.10771 23.1567 -546.027 -255.644 5.10806 -255.644 -416.346 GPRESSURE: 418600 -215.85 42.1523 17.8188 82.7146 -480.819 -276.394 112.736 -182.584 -429.236 PRESSAVG: 418600 38.0322 -20.8928 -4.88344 -20.8928 -6.39831 19.4205 -4.88342 19.4204 -8.64946 GPRESSAVG: 418600 37.2456 -21.5075 -6.22929 -21.2471 -5.96841 18.684 -4.07037 20.1728 -8.35058 TIMING: 418600 CPU: 1322.2, 0.00315728/step Wall: 1322.2, 0.00315728/step, 4.018 hours remaining, 232.925781 MB of memory in use. ENERGY: 418600 4085.7470 20527.8733 14473.4217 251.8459 -202923.4095 2255.0025 0.0000 0.0000 52092.1716 -109237.3476 299.3744 -161329.5192 -108879.2914 298.9773 -396.0287 -375.3015 761843.5243 7.6615 7.6422 PRESSURE: 418800 205.935 132.961 58.0071 132.962 -85.1567 -42.873 58.0074 -42.8736 -227.879 GPRESSURE: 418800 171.079 195.659 158.475 246.022 -50.2691 48.2755 -11.9636 -128.511 -145.289 PRESSAVG: 418800 2.71126 19.0527 19.7385 19.0527 1.52716 49.5654 19.7385 49.5654 17.306 GPRESSAVG: 418800 3.21943 19.5262 21.3458 18.7777 1.48001 48.7608 19.3922 49.498 16.7587 TIMING: 418800 CPU: 1322.83, 0.00315325/step Wall: 1322.83, 0.00315325/step, 4.01268 hours remaining, 232.925781 MB of memory in use. ENERGY: 418800 3985.9312 20655.4999 14424.2231 254.4215 -203220.2286 2635.9620 0.0000 0.0000 52015.4671 -109248.7237 298.9336 -161264.1908 -108888.3730 299.3768 -35.7002 -8.1598 762858.0821 7.1815 7.1527 PRESSURE: 419000 -41.3358 -4.4548 142.179 -4.45457 -13.8799 -13.9428 142.179 -13.9426 83.4612 GPRESSURE: 419000 -12.313 -10.3263 222.801 -98.4437 43.8053 13.482 44.2115 -24.4238 94.8336 PRESSAVG: 419000 12.1571 -34.6189 10.7997 -34.6189 -51.6444 -36.9138 10.7997 -36.9139 16.4029 GPRESSAVG: 419000 12.4431 -35.2813 11.8361 -34.3051 -52.9986 -36.4213 9.76445 -37.7211 17.4753 TIMING: 419000 CPU: 1323.45, 0.00314204/step Wall: 1323.45, 0.00314204/step, 3.99824 hours remaining, 232.925781 MB of memory in use. ENERGY: 419000 3990.5171 20566.4077 14404.3977 241.4202 -203309.5094 2731.5068 0.0000 0.0000 51849.8044 -109525.4555 297.9815 -161375.2599 -109166.3136 300.0441 9.4152 42.1086 763234.2347 -7.6948 -7.6934 PRESSURE: 419200 83.0123 -52.0757 -19.6857 -52.076 -7.66495 214.101 -19.6856 214.1 -237.887 GPRESSURE: 419200 123.62 -163.495 -104.069 -87.6777 55.0283 142.642 -57.6051 365.593 -246.947 PRESSAVG: 419200 36.4781 -30.1034 3.15024 -30.1034 -46.9964 -29.7184 3.15018 -29.7184 -2.99953 GPRESSAVG: 419200 37.1855 -28.9379 1.36484 -31.507 -46.7841 -30.1824 1.7056 -27.6377 -3.48341 TIMING: 419200 CPU: 1324.09, 0.00315257/step Wall: 1324.09, 0.00315257/step, 4.01147 hours remaining, 232.925781 MB of memory in use. ENERGY: 419200 4050.6818 20425.5991 14387.2720 242.9814 -203334.6665 2762.4412 0.0000 0.0000 52067.2892 -109398.4017 299.2314 -161465.6909 -109046.0360 298.6643 -54.1798 -22.7661 762275.4869 -4.5060 -4.3607 PRESSURE: 419400 173.837 -42.4945 -27.05 -42.4948 113.495 88.6851 -27.0504 88.6862 489.159 GPRESSURE: 419400 226.346 -64.4939 -55.8905 -30.4057 139.012 98.2166 -41.8589 49.4907 499.226 PRESSAVG: 419400 -8.89574 16.9588 -14.8256 16.9587 25.1151 -4.72422 -14.8255 -4.72415 -18.0934 GPRESSAVG: 419400 -9.13851 16.9284 -13.8432 18.2065 25.0637 -5.66132 -13.0583 -5.20922 -17.9017 TIMING: 419400 CPU: 1324.72, 0.00317245/step Wall: 1324.72, 0.00317245/step, 4.0366 hours remaining, 232.925781 MB of memory in use. ENERGY: 419400 3987.3440 20356.9015 14399.8466 272.1382 -203424.5335 2936.4217 0.0000 0.0000 52067.9552 -109403.9263 299.2353 -161471.8815 -109043.8314 298.6411 258.8305 288.1946 762671.1349 -0.6247 -0.6588 PRESSURE: 419600 -378.44 -62.2997 187.25 -62.2993 -428.342 155.408 187.25 155.409 -203.614 GPRESSURE: 419600 -347.074 15.4916 144.175 -98.5199 -364.608 181.321 161.751 -25.6439 -209.551 PRESSAVG: 419600 8.44892 -19.1748 36.1687 -19.1748 -17.1623 -10.8804 36.1688 -10.8804 18.3603 GPRESSAVG: 419600 7.46424 -20.2106 35.8003 -19.1249 -16.9942 -9.50641 36.7021 -11.3806 19.2573 TIMING: 419600 CPU: 1325.35, 0.00316347/step Wall: 1325.35, 0.00316347/step, 4.02499 hours remaining, 232.925781 MB of memory in use. ENERGY: 419600 3962.5030 20392.6760 14401.1659 232.7860 -202890.5368 2466.2002 0.0000 0.0000 52102.2637 -109332.9420 299.4324 -161435.2057 -108966.1951 299.1008 -336.7988 -307.0780 764480.8270 3.2156 3.2425 PRESSURE: 419800 -215.478 -180.51 14.4569 -180.51 -224.407 -195.522 14.4572 -195.523 207.34 GPRESSURE: 419800 -252.304 -276.591 -54.4599 -175.333 -82.9905 -171.117 15.4318 -270.566 172.125 PRESSAVG: 419800 25.5638 0.67189 -54.0447 0.671851 -19.1989 -7.38032 -54.0447 -7.38026 2.49152 GPRESSAVG: 419800 24.7411 0.988508 -54.697 0.978977 -17.9577 -7.15915 -54.5407 -8.36778 1.67025 TIMING: 419800 CPU: 1325.98, 0.00314337/step Wall: 1325.98, 0.00314337/step, 3.99923 hours remaining, 232.925781 MB of memory in use. ENERGY: 419800 3946.9112 20633.5223 14419.1678 224.6415 -203427.2576 2811.3630 0.0000 0.0000 52166.9159 -109224.7360 299.8040 -161391.6519 -108875.2829 298.8667 -77.5151 -54.3899 764274.1229 2.9522 2.8179 PRESSURE: 420000 -110.395 25.1175 -180.364 25.1178 -248.478 81.1012 -180.365 81.1021 -155.309 GPRESSURE: 420000 -38.0434 81.6015 -223.88 -9.08191 -185.536 67.4899 -101.435 18.4676 -197.668 PRESSAVG: 420000 1.518 -67.9113 17.5725 -67.9113 -12.8565 -27.2776 17.5725 -27.2776 -6.52167 GPRESSAVG: 420000 2.44703 -69.0338 19.2133 -66.9084 -13.4974 -27.7646 17.4815 -27.8963 -6.84287 TIMING: 420000 CPU: 1326.61, 0.00314699/step Wall: 1326.61, 0.00314699/step, 4.00367 hours remaining, 232.925781 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: 420000 4016.8112 20535.0627 14421.1479 224.8001 -203161.1520 2552.0597 0.0000 0.0000 52079.1103 -109332.1602 299.2994 -161411.2705 -108967.5125 299.4024 -171.3940 -140.4157 764175.5215 -5.9534 -5.9644 PRESSURE: 420200 -3.48027 -102.158 -42.2395 -102.158 -294.186 89.8297 -42.2395 89.8305 -429.659 GPRESSURE: 420200 -94.3744 -170.267 -48.944 -137.882 -170.195 29.2029 -66.6645 -73.7477 -355.14 PRESSAVG: 420200 -44.9377 -48.9295 -54.719 -48.9294 66.5781 -10.84 -54.719 -10.8399 8.69611 GPRESSAVG: 420200 -44.8431 -47.9826 -55.1809 -49.1443 65.9107 -12.1054 -54.318 -8.29523 9.38559 TIMING: 420200 CPU: 1327.24, 0.00315563/step Wall: 1327.24, 0.00315563/step, 4.01449 hours remaining, 232.925781 MB of memory in use. ENERGY: 420200 4033.6486 20335.8560 14446.8980 244.3626 -202884.9378 2339.7427 0.0000 0.0000 52128.7749 -109355.6550 299.5848 -161484.4299 -108991.3330 299.2796 -242.4416 -206.5697 763524.5458 10.1122 10.1511 LDB: ============= START OF LOAD BALANCING ============== 1339.78 LDB: ============== END OF LOAD BALANCING =============== 1339.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1339.78 LDB: ============= START OF LOAD BALANCING ============== 1340.09 LDB: Largest compute 7060 load 0.031893 is 16.3% of average load 0.195143 LDB: Average compute 0.004391 is 2.3% of average load 0.195143 LDB: TIME 1340.1 LOAD: AVG 0.195143 MAX 0.219979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.75 MB LDB: TIME 1340.1 LOAD: AVG 0.195143 MAX 0.219979 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 1340.1 LOAD: AVG 0.195143 MAX 0.216505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 1340.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1340.1 PRESSURE: 420400 99.1554 -138.063 -124.537 -138.063 201.769 34.9191 -124.536 34.9185 118.798 GPRESSURE: 420400 130.644 -31.1366 -123.967 43.4026 233.969 22.1349 -35.9048 -12.52 138.112 PRESSAVG: 420400 39.4387 -87.5421 22.2498 -87.5422 -3.39185 -37.7698 22.2498 -37.7698 -3.69999 GPRESSAVG: 420400 38.6781 -86.7878 22.4754 -88.4427 -2.96894 -35.1512 21.3501 -38.5615 -3.42277 TIMING: 420400 CPU: 1327.89, 0.00322561/step Wall: 1327.89, 0.00322561/step, 4.10334 hours remaining, 233.636719 MB of memory in use. ENERGY: 420400 3930.8705 20552.8391 14389.0733 247.2925 -203677.2001 3178.4881 0.0000 0.0000 51945.1947 -109433.4418 298.5297 -161378.6366 -109061.5442 298.7723 139.9074 167.5752 764124.5668 10.7823 10.7621 PRESSURE: 420600 -419.469 -227.82 270.082 -227.82 -500.964 42.59 270.083 42.5899 -429.314 GPRESSURE: 420600 -415.418 -264.548 243.409 -5.77548 -432.606 -55.7731 260.043 12.7547 -423.192 PRESSAVG: 420600 13.6537 -52.3451 10.0959 -52.345 -16.1563 6.07531 10.096 6.07539 26.8079 GPRESSAVG: 420600 15.1396 -53.0386 9.31791 -51.6643 -17.1913 7.1745 10.9303 7.25984 27.0505 TIMING: 420600 CPU: 1328.51, 0.00313003/step Wall: 1328.51, 0.00313003/step, 3.98157 hours remaining, 233.636719 MB of memory in use. ENERGY: 420600 3993.6019 20574.2051 14430.1718 249.8534 -203402.6306 2354.9987 0.0000 0.0000 52249.8970 -109549.9028 300.2809 -161799.7998 -109198.8901 298.5132 -449.9158 -423.7388 762307.6104 8.1017 8.3330 PRESSURE: 420800 -233.615 42.2662 15.2891 42.2665 -635.749 -110.005 15.29 -110.004 -201.234 GPRESSURE: 420800 -172.13 23.144 13.4638 -35.1526 -608.962 -143.292 31.5168 -150.081 -204.771 PRESSAVG: 420800 -3.53623 -35.2948 19.5378 -35.2948 3.91905 27.7864 19.5378 27.7864 -4.77392 GPRESSAVG: 420800 -4.41801 -35.8245 19.6266 -38.035 4.54254 25.6384 18.6366 27.0537 -4.79491 TIMING: 420800 CPU: 1329.14, 0.00314469/step Wall: 1329.14, 0.00314469/step, 4.00004 hours remaining, 233.636719 MB of memory in use. ENERGY: 420800 4005.4853 20577.8091 14444.9218 231.9036 -203532.5902 2735.9853 0.0000 0.0000 52083.8315 -109452.6535 299.3265 -161536.4850 -109099.1104 298.4150 -356.8660 -328.6211 764121.4873 -1.4637 -1.5568 PRESSURE: 421000 -174.859 -61.0865 -42.1771 -61.086 177.537 -282.935 -42.1767 -282.935 502.131 GPRESSURE: 421000 -98.8047 46.2423 -50.702 -109.263 208.459 -144.994 -32.954 -273.502 464.503 PRESSAVG: 421000 49.5988 -56.86 -32.4797 -56.86 -57.3096 -16.9037 -32.4798 -16.9036 0.983789 GPRESSAVG: 421000 49.6702 -55.8881 -33.4794 -55.5388 -58.1731 -15.3691 -30.9262 -16.4455 1.76703 TIMING: 421000 CPU: 1329.77, 0.00315262/step Wall: 1329.77, 0.00315262/step, 4.00995 hours remaining, 233.636719 MB of memory in use. ENERGY: 421000 3944.8857 20416.7439 14574.0843 247.0015 -203474.2861 2911.6257 0.0000 0.0000 51895.6821 -109484.2628 298.2452 -161379.9449 -109119.9120 298.4626 168.2696 191.3860 762300.6658 -2.2423 -2.2453 PRESSURE: 421200 -2.51789 74.7285 28.3098 74.7291 -83.4676 -14.7155 28.3096 -14.7156 463.743 GPRESSURE: 421200 90.3946 -40.0656 -63.0762 126.236 -143.796 36.9415 66.3787 -2.66292 492.266 PRESSAVG: 421200 33.7801 -31.0983 4.77279 -31.0983 -34.9785 1.58948 4.7728 1.58934 -1.33343 GPRESSAVG: 421200 33.8187 -32.8864 4.88491 -28.895 -35.9553 1.37636 4.35377 0.356643 -1.03264 TIMING: 421200 CPU: 1330.4, 0.00314283/step Wall: 1330.4, 0.00314283/step, 3.99733 hours remaining, 233.636719 MB of memory in use. ENERGY: 421200 4029.3472 20453.6337 14524.7443 236.7017 -203171.6745 2567.8872 0.0000 0.0000 52042.2332 -109317.1272 299.0874 -161359.3604 -108950.9940 299.2571 125.9190 146.2884 763132.0639 -0.8439 -1.0564 PRESSURE: 421400 23.254 231.231 -128.888 231.231 266.621 -170.231 -128.886 -170.23 -361.634 GPRESSURE: 421400 111.011 109.986 -42.4017 116.052 268.58 -126.207 -150.349 -244.067 -372.483 PRESSAVG: 421400 62.2664 -54.7776 -27.6016 -54.7777 -60.9272 20.0416 -27.6016 20.0416 9.93901 GPRESSAVG: 421400 62.0114 -53.1931 -26.1505 -58.0058 -59.5126 19.0282 -29.5653 18.8448 8.63746 TIMING: 421400 CPU: 1331.03, 0.00313357/step Wall: 1331.03, 0.00313357/step, 3.98538 hours remaining, 233.636719 MB of memory in use. ENERGY: 421400 4030.6243 20504.2744 14511.1333 234.8415 -203773.1190 3200.5089 0.0000 0.0000 51996.7303 -109295.0064 298.8259 -161291.7367 -108928.6120 299.1342 -23.9198 2.3691 762425.4462 3.7594 3.7121 PRESSURE: 421600 -1.35189 -161.376 -174.121 -161.375 14.952 -88.0116 -174.12 -88.0119 4.51668 GPRESSURE: 421600 34.8408 -29.4309 -170.385 -160.846 80.9327 -26.2686 -82.8619 -58.102 4.55088 PRESSAVG: 421600 2.70111 -45.6643 -14.2729 -45.6642 -14.4514 -0.244246 -14.2728 -0.244149 -1.23295 GPRESSAVG: 421600 3.8517 -46.8971 -15.5754 -41.5625 -14.9498 -1.34001 -13.814 1.91287 -1.9046 TIMING: 421600 CPU: 1331.66, 0.00315452/step Wall: 1331.66, 0.00315452/step, 4.01185 hours remaining, 233.636719 MB of memory in use. ENERGY: 421600 3888.0939 20560.5552 14478.1703 244.0901 -203211.2988 2746.3163 0.0000 0.0000 51953.9304 -109340.1426 298.5800 -161294.0730 -108976.6764 299.3316 6.0389 40.1081 763973.8011 -4.3278 -4.3342 PRESSURE: 421800 153.152 5.10361 242.79 5.10312 302.689 -50.8552 242.789 -50.8543 598.549 GPRESSURE: 421800 189.759 -151.152 175.078 47.7505 323.409 -50.6787 137.007 -89.2229 614.637 PRESSAVG: 421800 -2.13903 -45.5484 6.59754 -45.5484 25.9795 -1.59609 6.59757 -1.59616 -4.75559 GPRESSAVG: 421800 -3.13756 -44.5089 5.85321 -48.2959 25.799 -1.36908 8.34488 -0.706057 -3.6202 TIMING: 421800 CPU: 1332.29, 0.00316294/step Wall: 1332.29, 0.00316294/step, 4.02238 hours remaining, 233.636719 MB of memory in use. ENERGY: 421800 3930.3435 20513.5979 14489.8624 249.7778 -203993.3140 3168.0223 0.0000 0.0000 52178.0189 -109463.6912 299.8678 -161641.7101 -109093.9082 298.8573 351.4633 375.9347 762690.2506 6.3616 6.3471 PRESSURE: 422000 -96.6216 -147.749 74.2937 -147.75 41.1854 -160.684 74.2933 -160.683 13.2657 GPRESSURE: 422000 -18.5058 33.7005 48.0119 32.4623 34.3964 -216.274 121.97 4.67396 33.3781 PRESSAVG: 422000 4.22029 -7.3312 5.19409 -7.33121 47.6749 -35.3431 5.19411 -35.3432 5.60763 GPRESSAVG: 422000 3.42161 -8.35354 5.22789 -5.985 48.4049 -33.9485 5.36192 -37.3866 5.31806 TIMING: 422000 CPU: 1332.93, 0.00317547/step Wall: 1332.93, 0.00317547/step, 4.03814 hours remaining, 233.636719 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: 422000 3937.9433 20433.9253 14453.1636 238.9104 -203224.5085 2723.0460 0.0000 0.0000 51676.0117 -109761.5082 296.9827 -161437.5199 -109402.0017 298.3103 -14.0568 16.4229 763763.5161 19.1676 19.0482 PRESSURE: 422200 117.937 -156.062 5.45221 -156.062 136.743 -421.182 5.45279 -421.182 -63.8322 GPRESSURE: 422200 155.146 -104.33 40.972 -190.667 243.006 -440.12 -35.7057 -215.977 -111.521 PRESSAVG: 422200 -32.8237 0.989271 -4.40196 0.989284 3.86108 -23.8876 -4.40192 -23.8876 12.1936 GPRESSAVG: 422200 -31.6758 2.21963 -2.01395 -1.23038 3.6669 -23.4339 -5.99268 -22.7863 11.6752 TIMING: 422200 CPU: 1333.56, 0.00318505/step Wall: 1333.56, 0.00318505/step, 4.05014 hours remaining, 233.636719 MB of memory in use. ENERGY: 422200 3930.3222 20394.6479 14471.6911 240.4357 -203424.0929 2898.7377 0.0000 0.0000 51971.6444 -109516.6139 298.6818 -161488.2583 -109147.0475 298.0245 63.6157 95.5437 764184.6750 -5.5897 -5.4446 PRESSURE: 422400 249.443 -30.1812 -219.428 -30.1804 -238.859 -4.04376 -219.428 -4.04397 352.647 GPRESSURE: 422400 272.154 34.8272 -212.993 48.4377 -142.445 -16.6309 -224.725 -1.35995 325.435 PRESSAVG: 422400 -29.5946 50.9953 1.01468 50.9952 -0.958283 -48.9003 1.01465 -48.9003 -12.8095 GPRESSAVG: 422400 -29.1251 49.7389 -0.458589 54.0704 -1.92796 -48.6328 1.50542 -50.8803 -12.5419 TIMING: 422400 CPU: 1334.19, 0.00313358/step Wall: 1334.19, 0.00313358/step, 3.98452 hours remaining, 233.636719 MB of memory in use. ENERGY: 422400 3982.9146 20511.7518 14447.5671 259.9525 -203441.7002 2896.0011 0.0000 0.0000 52013.4278 -109330.0853 298.9219 -161343.5131 -108970.9778 298.8603 121.0769 151.7145 761627.8868 -14.4541 -14.5317 PRESSURE: 422600 195.432 -15.4808 217.659 -15.4804 -252.885 -341.947 217.659 -341.948 76.2786 GPRESSURE: 422600 266.16 -123.052 200.755 -73.7779 -262.441 -385.203 139.537 -353.888 86.8834 PRESSAVG: 422600 -14.9222 34.8437 14.4217 34.8438 -25.7546 -27.6282 14.4217 -27.6282 13.6745 GPRESSAVG: 422600 -15.4543 35.255 15.0875 33.7088 -25.6724 -28.7549 14.0959 -24.2692 13.8723 TIMING: 422600 CPU: 1334.82, 0.00316372/step Wall: 1334.82, 0.00316372/step, 4.02267 hours remaining, 233.636719 MB of memory in use. ENERGY: 422600 3905.0658 20608.1225 14480.7508 243.9085 -203079.7068 2725.7183 0.0000 0.0000 51858.3555 -109257.7854 298.0307 -161116.1409 -108906.5315 298.8686 6.2750 30.2010 762228.4436 -9.0008 -9.0848 PRESSURE: 422800 240.814 -52.263 136.582 -52.2631 196.781 -49.87 136.582 -49.8706 -193.534 GPRESSURE: 422800 240.236 -152.182 62.7787 -52.4988 244.905 63.1288 140.049 -36.4672 -168.003 PRESSAVG: 422800 11.4099 -23.2902 -37.4364 -23.2902 -14.7575 4.26894 -37.4363 4.26902 -4.13989 GPRESSAVG: 422800 10.9724 -25.0035 -36.5815 -23.1654 -13.5448 5.276 -38.8501 1.26033 -4.63352 TIMING: 422800 CPU: 1335.45, 0.0031559/step Wall: 1335.45, 0.0031559/step, 4.01256 hours remaining, 233.636719 MB of memory in use. ENERGY: 422800 3893.9456 20539.2386 14473.8551 253.3930 -203381.9332 2712.6122 0.0000 0.0000 52258.8824 -109250.0064 300.3325 -161508.8888 -108885.4379 298.9783 81.3537 105.7125 761885.8320 -2.4959 -2.4020 PRESSURE: 423000 -165.423 98.5773 -62.3499 98.5782 209.351 -42.0452 -62.3498 -42.0452 -6.16864 GPRESSURE: 423000 -51.8442 20.506 2.75208 42.8219 198.551 -36.2117 42.4902 63.7165 -5.24401 PRESSAVG: 423000 21.9552 22.2858 24.4572 22.2858 16.8911 -33.4849 24.4572 -33.4849 5.20016 GPRESSAVG: 423000 23.5092 22.4171 25.0334 22.5647 14.7174 -35.1649 25.1109 -32.141 5.89991 TIMING: 423000 CPU: 1336.08, 0.00315363/step Wall: 1336.08, 0.00315363/step, 4.00949 hours remaining, 233.636719 MB of memory in use. ENERGY: 423000 3975.2247 20561.0793 14523.4552 224.8096 -203117.7742 2486.9768 0.0000 0.0000 52022.2657 -109323.9629 298.9727 -161346.2287 -108957.9210 299.3144 12.5866 47.1544 762210.4048 14.6822 14.7088 PRESSURE: 423200 65.1466 288.095 -124.261 288.096 -330.964 -41.1997 -124.261 -41.199 -93.2068 GPRESSURE: 423200 23.4167 309.928 -44.907 224.477 -230.023 -52.7206 -168.097 13.5288 -69.9759 PRESSAVG: 423200 27.0916 36.1262 18.205 36.1261 -52.782 -14.0121 18.2049 -14.0122 -16.7268 GPRESSAVG: 423200 26.9223 36.8889 18.471 35.5967 -51.1652 -11.1854 19.6888 -16.7753 -17.2575 TIMING: 423200 CPU: 1336.71, 0.00313378/step Wall: 1336.71, 0.00313378/step, 3.98407 hours remaining, 233.636719 MB of memory in use. ENERGY: 423200 4052.3383 20646.2012 14522.1936 227.4424 -203415.5070 2912.9376 0.0000 0.0000 51733.9803 -109320.4137 297.3159 -161054.3940 -108968.6548 299.1517 -119.6747 -92.1941 763266.1974 -14.1391 -13.8335 PRESSURE: 423400 140.311 -167.416 124.253 -167.415 -220.664 36.9751 124.253 36.975 -73.076 GPRESSURE: 423400 187.979 -153.693 -8.17095 -214.656 -169.587 46.6171 171.003 5.67099 -94.241 PRESSAVG: 423400 91.7603 6.13804 3.72029 6.13807 -37.9727 -13.3773 3.72037 -13.3771 -2.25927 GPRESSAVG: 423400 90.7271 7.12005 2.59807 6.61148 -36.7484 -16.7029 2.52287 -10.2019 -2.8259 TIMING: 423400 CPU: 1337.35, 0.00317632/step Wall: 1337.35, 0.00317632/step, 4.03798 hours remaining, 233.636719 MB of memory in use. ENERGY: 423400 3944.0124 20316.3577 14437.4032 255.1109 -203080.2963 2484.6051 0.0000 0.0000 52163.6849 -109479.1221 299.7854 -161642.8070 -109112.5522 299.0288 -51.1431 -25.2829 764471.0256 17.1761 17.0509 PRESSURE: 423600 118.377 28.5106 43.7694 28.5095 -29.7643 36.4527 43.7693 36.4518 184.062 GPRESSURE: 423600 100.784 -11.4539 40.3071 23.4085 -2.43311 -21.2227 69.0975 -81.4951 257.428 PRESSAVG: 423600 -2.69919 -29.1619 78.3349 -29.1619 -65.9965 -67.9945 78.3349 -67.9945 -12.2479 GPRESSAVG: 423600 -2.95897 -28.5911 76.4097 -28.543 -66.952 -66.7372 79.2464 -68.2813 -11.1213 TIMING: 423600 CPU: 1337.98, 0.00316038/step Wall: 1337.98, 0.00316038/step, 4.01755 hours remaining, 233.636719 MB of memory in use. ENERGY: 423600 3963.1596 20466.5829 14523.9240 246.2439 -203487.7174 2830.4747 0.0000 0.0000 51988.5063 -109468.8260 298.7787 -161457.3323 -109111.2179 298.7702 90.8916 118.5932 763051.5678 -26.9812 -27.0108 PRESSURE: 423800 -126.531 -86.294 -127.684 -86.2937 -52.0736 -4.75465 -127.685 -4.7547 107.896 GPRESSURE: 423800 -104.156 -8.78528 -132.746 -12.8489 25.7466 3.44856 -75.8137 -35.3991 81.8975 PRESSAVG: 423800 15.5931 -30.1981 26.376 -30.1981 29.1011 -4.18148 26.376 -4.18151 -17.7131 GPRESSAVG: 423800 15.7509 -30.7754 28.015 -31.6134 28.5408 -4.58958 25.3227 -4.78616 -17.202 TIMING: 423800 CPU: 1338.61, 0.00313926/step Wall: 1338.61, 0.00313926/step, 3.99052 hours remaining, 233.636719 MB of memory in use. ENERGY: 423800 3958.7423 20444.7527 14493.4439 240.0807 -203520.1794 2693.0900 0.0000 0.0000 52055.4350 -109634.6348 299.1633 -161690.0697 -109262.6324 299.2153 -23.5695 1.1626 762170.7930 8.9937 9.0299 PRESSURE: 424000 -408.515 105.31 -61.2233 105.31 7.10041 -21.8771 -61.2229 -21.8774 44.4337 GPRESSURE: 424000 -231.961 97.7784 -94.5004 87.5269 -101.259 70.573 91.4919 -206.507 59.0654 PRESSAVG: 424000 -6.46799 -4.39906 -46.5114 -4.39904 2.40024 -24.9762 -46.5114 -24.9762 3.85057 GPRESSAVG: 424000 -5.32175 -4.71094 -45.7907 -3.23082 2.13043 -23.6214 -45.8061 -26.4559 2.8751 TIMING: 424000 CPU: 1339.24, 0.0031575/step Wall: 1339.24, 0.0031575/step, 4.01353 hours remaining, 233.636719 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: 424000 3945.7828 20429.6858 14433.1923 236.1075 -203431.3084 2600.5758 0.0000 0.0000 52313.1269 -109472.8374 300.6443 -161785.9642 -109099.5682 298.2471 -118.9938 -91.3849 763530.9111 -0.0724 -0.1054 PRESSURE: 424200 -365.206 195.48 252.187 195.48 -235.943 47.2861 252.186 47.286 -3.57629 GPRESSURE: 424200 -345.01 186.421 266.51 193.486 -166.384 62.4041 165.98 3.10049 12.6265 PRESSAVG: 424200 13.4145 -22.379 27.6756 -22.3791 24.1659 -15.6321 27.6756 -15.6321 4.38029 GPRESSAVG: 424200 12.2929 -22.3146 27.0929 -23.3959 24.0382 -14.8471 28.1293 -16.7884 5.52327 TIMING: 424200 CPU: 1339.87, 0.00314766/step Wall: 1339.87, 0.00314766/step, 4.00085 hours remaining, 233.636719 MB of memory in use. ENERGY: 424200 4019.4927 20693.0433 14457.5055 254.0877 -203575.5094 2812.9711 0.0000 0.0000 52167.0879 -109171.3212 299.8050 -161338.4090 -108816.1850 298.9813 -201.5751 -166.2557 762114.0071 13.9869 13.9515 LDB: ============= START OF LOAD BALANCING ============== 1352.4 LDB: ============== END OF LOAD BALANCING =============== 1352.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1352.4 LDB: ============= START OF LOAD BALANCING ============== 1352.72 LDB: Largest compute 7060 load 0.032141 is 16.5% of average load 0.195168 LDB: Average compute 0.004390 is 2.2% of average load 0.195168 LDB: TIME 1352.72 LOAD: AVG 0.195168 MAX 0.212891 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.664 MB LDB: TIME 1352.72 LOAD: AVG 0.195168 MAX 0.212891 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: TIME 1352.72 LOAD: AVG 0.195168 MAX 0.212891 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: ============== END OF LOAD BALANCING =============== 1352.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1352.73 PRESSURE: 424400 278.599 95.6271 -287.306 95.6267 100.321 -20.8844 -287.307 -20.8849 250.966 GPRESSURE: 424400 344.296 87.368 -415.032 149.011 134.933 39.0679 -225.227 41.4045 230.564 PRESSAVG: 424400 51.141 -39.7716 -18.7289 -39.7715 -75.0909 4.32725 -18.729 4.3272 -16.1646 GPRESSAVG: 424400 51.7472 -39.1371 -18.4016 -40.1032 -73.2442 2.23048 -22.9705 8.2229 -18.5523 TIMING: 424400 CPU: 1340.51, 0.00321814/step Wall: 1340.51, 0.00321814/step, 4.09026 hours remaining, 233.886719 MB of memory in use. ENERGY: 424400 4010.9329 20641.5179 14539.7677 255.0566 -203856.8004 3142.6062 0.0000 0.0000 52091.4088 -109175.5104 299.3700 -161266.9191 -108811.7085 299.5611 209.9618 236.5978 762356.2330 -13.3715 -13.3498 PRESSURE: 424600 6.99158 82.6683 -233.189 82.6687 -50.5152 -303.299 -233.188 -303.299 -147.158 GPRESSURE: 424600 -11.2943 49.6605 -88.0074 -4.31433 18.2658 -393.894 -127.875 -236.295 -108.138 PRESSAVG: 424600 58.9119 -58.0236 10.3845 -58.0237 -79.6401 10.1647 10.3845 10.1647 1.38104 GPRESSAVG: 424600 60.0155 -58.9002 10.0429 -57.3811 -80.6043 11.756 15.1686 6.97064 1.84013 TIMING: 424600 CPU: 1341.14, 0.00316028/step Wall: 1341.14, 0.00316028/step, 4.01654 hours remaining, 234.253906 MB of memory in use. ENERGY: 424600 4022.9499 20503.9675 14398.5514 259.4877 -203457.0882 2890.5752 0.0000 0.0000 52110.8452 -109270.7112 299.4817 -161381.5565 -108913.0479 299.4856 -63.5605 -33.7222 763877.6172 -6.4491 -6.2495 PRESSURE: 424800 -16.5436 -2.00084 -200.473 -2.00073 54.8244 125.325 -200.472 125.324 382.004 GPRESSURE: 424800 97.8622 3.26362 -227.777 -130.917 34.8651 43.469 -150.581 168.374 382.499 PRESSAVG: 424800 -7.28888 -15.4822 71.8573 -15.4822 34.9701 18.276 71.8573 18.276 -3.49737 GPRESSAVG: 424800 -7.74493 -15.1926 73.4205 -17.5173 35.6824 17.4597 68.11 20.3061 -3.55896 TIMING: 424800 CPU: 1341.77, 0.0031394/step Wall: 1341.77, 0.0031394/step, 3.98983 hours remaining, 234.253906 MB of memory in use. ENERGY: 424800 3988.6099 20429.2165 14471.6524 250.6357 -202843.7799 2410.8514 0.0000 0.0000 52147.3880 -109145.4261 299.6918 -161292.8141 -108780.9526 299.0235 140.0949 171.7421 763000.5880 8.0613 8.1262 PRESSURE: 425000 -233.021 -146.419 292.194 -146.419 -56.3507 -111.51 292.194 -111.509 424.096 GPRESSURE: 425000 -147.229 -108.361 214.101 -212.375 -79.9164 -173.53 276.112 -99.6437 438.781 PRESSAVG: 425000 -42.4362 -43.6581 -5.56509 -43.6581 25.3467 -13.1882 -5.56508 -13.1882 -3.11928 GPRESSAVG: 425000 -43.243 -44.2768 -7.06331 -42.631 26.025 -12.1474 -2.25705 -14.7368 -3.7194 TIMING: 425000 CPU: 1342.4, 0.0031393/step Wall: 1342.4, 0.0031393/step, 3.98953 hours remaining, 234.253906 MB of memory in use. ENERGY: 425000 3965.9648 20667.1401 14440.8538 227.1525 -203396.0256 2716.7313 0.0000 0.0000 52264.5704 -109113.6126 300.3652 -161378.1831 -108751.6616 299.2569 44.9080 70.5454 762747.3530 -6.7363 -6.9791 PRESSURE: 425200 389.445 -79.2951 -58.1886 -79.2946 294.028 -140.417 -58.1885 -140.417 -202.279 GPRESSURE: 425200 446.724 -77.7211 75.4357 1.96936 303.574 80.6395 73.9551 -244.613 -153.949 PRESSAVG: 425200 25.6155 -40.4401 -12.9486 -40.4401 -15.6387 -6.67034 -12.9486 -6.67039 -13.0422 GPRESSAVG: 425200 25.7584 -38.8651 -13.4509 -39.0698 -16.9301 -6.69724 -14.622 -6.46185 -11.8285 TIMING: 425200 CPU: 1343.03, 0.00313358/step Wall: 1343.03, 0.00313358/step, 3.98209 hours remaining, 234.390625 MB of memory in use. ENERGY: 425200 3964.1169 20476.1555 14535.1411 253.0671 -203300.9852 2805.0590 0.0000 0.0000 52147.2145 -109120.2311 299.6908 -161267.4456 -108757.1241 299.6599 160.3980 198.7831 761241.0007 -1.0218 -1.0001 PRESSURE: 425400 -50.0618 354.244 84.5859 354.243 268.804 121.824 84.5849 121.823 -149.405 GPRESSURE: 425400 110.392 365.665 26.1716 283.652 197.56 76.5499 -61.3658 -0.607563 -142.131 PRESSAVG: 425400 -10.5559 40.7466 -44.0026 40.7467 26.0461 -8.85442 -44.0025 -8.85436 -1.33082 GPRESSAVG: 425400 -9.66858 39.9929 -44.3174 40.0362 24.956 -9.36809 -43.1917 -8.48055 -1.22578 TIMING: 425400 CPU: 1343.65, 0.00314453/step Wall: 1343.65, 0.00314453/step, 3.99582 hours remaining, 234.390625 MB of memory in use. ENERGY: 425400 3955.5158 20506.9931 14386.8300 255.2322 -202930.9893 2526.1241 0.0000 0.0000 52141.0809 -109159.2132 299.6555 -161300.2941 -108782.2648 299.2243 23.1126 55.2734 763702.1731 4.7198 4.6872 PRESSURE: 425600 11.9683 42.2089 -86.4463 42.2087 74.3692 18.3938 -86.4457 18.3936 -143.922 GPRESSURE: 425600 65.8019 -35.9732 -92.3751 14.4079 84.8683 92.5903 -50.136 64.6554 -141.911 PRESSAVG: 425600 43.772 -9.1815 -9.33879 -9.18158 -76.1745 15.879 -9.3388 15.879 -5.28504 GPRESSAVG: 425600 44.1475 -9.56473 -10.5961 -8.481 -75.2249 17.4599 -6.56365 14.5137 -6.19438 TIMING: 425600 CPU: 1344.28, 0.00312828/step Wall: 1344.28, 0.00312828/step, 3.975 hours remaining, 234.390625 MB of memory in use. ENERGY: 425600 4043.6830 20620.4059 14513.9918 261.7790 -203328.2170 2715.0686 0.0000 0.0000 51954.7742 -109218.5146 298.5848 -161173.2888 -108869.7850 299.5789 -19.1949 2.9197 762929.5506 -12.5625 -12.4240 PRESSURE: 425800 -226.254 -325.94 -86.1017 -325.941 -191.8 -39.1819 -86.1016 -39.1814 -126.755 GPRESSURE: 425800 -222.49 -217.076 -42.5335 -352.566 -95.5912 -124.545 -58.3576 -26.7166 -157.971 PRESSAVG: 425800 22.7494 -17.6383 4.78673 -17.6383 -34.3843 33.5588 4.78672 33.5589 5.95995 GPRESSAVG: 425800 21.2824 -17.308 5.85386 -18.2433 -33.8375 31.2911 1.98537 35.1635 6.13609 TIMING: 425800 CPU: 1344.91, 0.00314968/step Wall: 1344.91, 0.00314968/step, 4.00201 hours remaining, 234.390625 MB of memory in use. ENERGY: 425800 3987.8734 20735.8661 14375.5394 234.5370 -203688.9407 2798.1014 0.0000 0.0000 52193.2657 -109363.7578 299.9554 -161557.0235 -109011.7398 299.0608 -181.6029 -158.6839 763374.2881 -1.8917 -2.1397 PRESSURE: 426000 0.235947 -150.793 -148.47 -150.793 357.73 -57.2564 -148.47 -57.2566 255.94 GPRESSURE: 426000 111.059 -130.733 -79.1674 -145.323 287.43 -63.1066 -76.9404 -101.319 313.207 PRESSAVG: 426000 14.1872 -11.1451 -26.8985 -11.1451 28.5738 -30.7841 -26.8985 -30.7841 26.4988 GPRESSAVG: 426000 14.7956 -10.0612 -26.1318 -12.6646 27.2422 -31.74 -27.8513 -31.2268 26.729 TIMING: 426000 CPU: 1345.54, 0.00315761/step Wall: 1345.54, 0.00315761/step, 4.01192 hours remaining, 234.390625 MB of memory 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 3950.3207 20567.6141 14491.4131 235.0752 -203546.0567 2886.3453 0.0000 0.0000 51918.4939 -109496.7944 298.3763 -161415.2883 -109130.9554 299.0575 204.6353 237.2318 761393.9361 23.0866 22.9223 PRESSURE: 426200 -32.8589 103.695 76.0822 103.694 141.191 21.1784 76.0823 21.1789 67.021 GPRESSURE: 426200 -13.4952 96.0312 112.356 102.448 205.009 92.9124 18.549 81.9097 61.1272 PRESSAVG: 426200 -28.1196 -36.3865 -59.3983 -36.3866 40.0013 -20.442 -59.3983 -20.442 -2.77365 GPRESSAVG: 426200 -27.7323 -36.9066 -60.4145 -36.2266 41.431 -19.2461 -59.5439 -20.9394 -4.66094 TIMING: 426200 CPU: 1346.17, 0.00316279/step Wall: 1346.17, 0.00316279/step, 4.01832 hours remaining, 234.390625 MB of memory in use. ENERGY: 426200 3946.2673 20567.5282 14451.5284 238.4823 -202732.1420 2456.7081 0.0000 0.0000 51394.9466 -109676.6812 295.3675 -161071.6278 -109324.6530 298.1395 58.4511 84.2136 763548.8833 3.0360 3.0126 PRESSURE: 426400 371.557 110.194 62.2015 110.194 105.602 87.4017 62.2009 87.4011 -161.906 GPRESSURE: 426400 420.031 21.6438 8.41877 23.6208 113.999 70.0532 99.6615 -20.0405 -129.182 PRESSAVG: 426400 -32.147 -39.5783 -23.7203 -39.5783 78.4228 -57.7253 -23.7203 -57.7253 -7.31421 GPRESSAVG: 426400 -32.8828 -41.4783 -21.3963 -37.8305 78.232 -57.7704 -22.2672 -56.605 -6.09777 TIMING: 426400 CPU: 1346.81, 0.00317099/step Wall: 1346.81, 0.00317099/step, 4.02857 hours remaining, 234.390625 MB of memory in use. ENERGY: 426400 3945.2630 20465.6879 14524.9409 226.5773 -203573.0798 2804.9942 0.0000 0.0000 51980.2934 -109625.3231 298.7315 -161605.6165 -109267.3755 298.3685 105.0846 134.9494 763040.3954 12.9872 13.0838 PRESSURE: 426600 -42.0268 -24.8225 236.929 -24.8227 199.214 -93.8727 236.929 -93.8726 -93.7258 GPRESSURE: 426600 16.2056 23.7296 197.203 -147.282 160.776 -101.688 270.501 -80.4083 -35.2425 PRESSAVG: 426600 -37.9817 12.1878 -1.07208 12.1878 61.6418 -48.0629 -1.07215 -48.0629 -4.76428 GPRESSAVG: 426600 -36.5889 11.8777 -2.81715 11.1872 60.5142 -48.6059 -1.99047 -48.63 -4.01523 TIMING: 426600 CPU: 1347.44, 0.00316024/step Wall: 1347.44, 0.00316024/step, 4.01473 hours remaining, 234.390625 MB of memory in use. ENERGY: 426600 3944.7820 20535.0619 14381.6521 240.3721 -203405.5409 2732.5927 0.0000 0.0000 51946.1572 -109624.9229 298.5353 -161571.0801 -109262.8310 298.5909 21.1538 47.2463 765239.8787 6.2986 6.6367 PRESSURE: 426800 44.8566 -250.367 101.245 -250.367 -8.72837 51.4798 101.246 51.4781 -79.974 GPRESSURE: 426800 84.4115 -186.281 36.1478 -210.405 16.7853 139.771 13.4319 0.947493 -42.5575 PRESSAVG: 426800 -35.1074 -73.7335 12.3234 -73.7335 42.964 12.6544 12.3234 12.6544 -21.6568 GPRESSAVG: 426800 -35.2643 -75.3815 11.4954 -71.5226 43.0807 12.7278 13.9779 10.7488 -21.4528 TIMING: 426800 CPU: 1348.07, 0.00314693/step Wall: 1348.07, 0.00314693/step, 3.99765 hours remaining, 234.390625 MB of memory in use. ENERGY: 426800 3936.4582 20257.1668 14418.5248 234.6428 -203125.7850 2706.1880 0.0000 0.0000 51970.0552 -109602.7490 298.6726 -161572.8043 -109228.6040 297.8815 -14.6153 19.5465 762618.6162 -4.6000 -4.5455 PRESSURE: 427000 66.5672 -152.034 18.2973 -152.033 -110.658 -83.8193 18.2978 -83.8186 19.8183 GPRESSURE: 427000 21.4352 -0.251114 102.087 -172.759 -4.61667 -152.769 -74.079 -97.8072 42.3384 PRESSAVG: 427000 2.7676 7.331 -11.8933 7.33105 5.20967 -18.7473 -11.8934 -18.7473 -6.82842 GPRESSAVG: 427000 2.41062 10.2769 -11.7406 5.89967 5.00862 -18.102 -14.0044 -16.9106 -6.08817 TIMING: 427000 CPU: 1348.7, 0.00314282/step Wall: 1348.7, 0.00314282/step, 3.99225 hours remaining, 234.390625 MB of memory in use. ENERGY: 427000 4066.9497 20544.8977 14405.0584 221.8283 -202900.1328 2507.1006 0.0000 0.0000 51668.8172 -109485.4808 296.9414 -161154.2980 -109129.8844 298.1504 -8.0908 19.7190 763999.5531 0.3829 0.4437 PRESSURE: 427200 298.014 95.996 253.027 95.9969 -33.276 135.734 253.028 135.735 -9.75796 GPRESSURE: 427200 223.984 63.0755 243.287 0.074113 33.5908 121.35 137.028 202.058 51.2426 PRESSAVG: 427200 0.258649 -35.6931 -62.9069 -35.6931 24.1308 0.646372 -62.9068 0.646364 0.595205 GPRESSAVG: 427200 -0.785415 -34.8484 -63.3734 -37.0196 25.5596 -0.0740536 -62.1269 2.19949 -0.303842 TIMING: 427200 CPU: 1349.33, 0.00316174/step Wall: 1349.33, 0.00316174/step, 4.01611 hours remaining, 234.390625 MB of memory in use. ENERGY: 427200 3953.1735 20653.1260 14500.6979 224.8251 -203408.6098 2802.1527 0.0000 0.0000 51895.5519 -109379.0828 298.2445 -161274.6347 -109019.2656 298.6818 84.9932 102.9393 762128.7606 8.3282 8.1568 PRESSURE: 427400 35.2204 263.692 -177.183 263.691 -211.541 -102.8 -177.183 -102.8 60.0013 GPRESSURE: 427400 26.3787 246.707 -166.207 138.31 -98.9359 -59.9923 -216.849 -102.799 83.5028 PRESSAVG: 427400 -12.8987 9.3108 -23.3808 9.31079 12.6881 12.1204 -23.3808 12.1204 3.42259 GPRESSAVG: 427400 -11.8312 8.74657 -22.7605 10.1629 11.852 12.7785 -24.3817 11.3125 3.27646 TIMING: 427400 CPU: 1349.96, 0.00316909/step Wall: 1349.96, 0.00316909/step, 4.02527 hours remaining, 234.390625 MB of memory in use. ENERGY: 427400 3997.3718 20488.7293 14466.0707 251.2587 -203186.9611 2735.6613 0.0000 0.0000 51993.3481 -109254.5212 298.8065 -161247.8693 -108889.2210 298.4155 -38.7730 3.6485 761834.5426 1.0707 1.0991 PRESSURE: 427600 -46.1703 58.422 -162.961 58.4226 -124.002 16.6889 -162.961 16.6895 242.278 GPRESSURE: 427600 83.9886 -28.3566 -145.184 15.3831 -175.184 95.4314 -156.086 45.3505 244.262 PRESSAVG: 427600 39.6135 13.2867 -30.3938 13.2867 -36.2984 34.8343 -30.3938 34.8344 -8.572 GPRESSAVG: 427600 40.8116 12.6174 -29.0016 13.5119 -36.9669 35.7709 -31.0602 32.456 -8.81358 TIMING: 427600 CPU: 1350.6, 0.00316834/step Wall: 1350.6, 0.00316834/step, 4.02414 hours remaining, 234.390625 MB of memory in use. ENERGY: 427600 4054.0395 20492.8578 14470.9619 262.1706 -203372.6071 2924.8138 0.0000 0.0000 51934.4284 -109233.3351 298.4679 -161167.7635 -108873.8050 299.0675 24.0354 51.0220 763925.4002 -1.7523 -1.6563 PRESSURE: 427800 -341.237 30.0735 -205.879 30.0735 -253.711 -165.854 -205.878 -165.855 -438.857 GPRESSURE: 427800 -331.016 29.5418 -218.302 8.95174 -223.727 -222.266 -152.647 -172.601 -385.529 PRESSAVG: 427800 -17.9424 29.9902 -31.4397 29.9902 62.9186 62.6625 -31.4397 62.6625 -2.20831 GPRESSAVG: 427800 -18.6763 29.2656 -33.046 30.0524 62.4783 62.7852 -28.834 65.3406 -1.34956 TIMING: 427800 CPU: 1351.23, 0.00318087/step Wall: 1351.23, 0.00318087/step, 4.03988 hours remaining, 234.390625 MB of memory in use. ENERGY: 427800 3989.7232 20541.4801 14488.2824 249.2074 -202915.9456 2575.4661 0.0000 0.0000 52032.1617 -109039.6247 299.0295 -161071.7864 -108683.3042 299.5602 -344.6016 -313.4237 762571.1182 14.2560 14.1508 PRESSURE: 428000 -230.389 269.954 312.026 269.954 -476.605 177.371 312.025 177.371 71.1281 GPRESSURE: 428000 -243.765 172.072 351.296 355.06 -400.061 65.944 202.673 136.14 97.5294 PRESSAVG: 428000 30.6389 1.84424 -26.5296 1.84415 -41.3045 34.0575 -26.5297 34.0574 15.3747 GPRESSAVG: 428000 30.016 1.03119 -26.5741 0.132622 -39.7119 31.7937 -28.8494 32.6339 14.4998 TIMING: 428000 CPU: 1351.87, 0.00316427/step Wall: 1351.87, 0.00316427/step, 4.01863 hours remaining, 234.390625 MB of memory 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 4009.8632 20528.6914 14465.3625 257.3017 -203067.7872 2628.6813 0.0000 0.0000 52169.4963 -109008.3908 299.8188 -161177.8872 -108647.8959 299.3011 -211.9552 -182.0991 764075.1657 1.5697 1.6013 PRESSURE: 428200 -317.432 89.2964 -98.957 89.2976 67.9131 -253.286 -98.957 -253.286 261.079 GPRESSURE: 428200 -199.61 157.946 -105.109 121.859 0.824992 -179.806 -19.8762 -103.148 282.915 PRESSAVG: 428200 -2.79976 34.4446 17.7216 34.4446 21.5711 -0.159856 17.7215 -0.159869 -10.9632 GPRESSAVG: 428200 -2.66141 35.1289 17.2021 36.0862 20.7773 2.00837 18.9318 0.9955 -10.2128 TIMING: 428200 CPU: 1352.5, 0.00315551/step Wall: 1352.5, 0.00315551/step, 4.00732 hours remaining, 234.390625 MB of memory in use. ENERGY: 428200 3935.9621 20755.4592 14463.6738 233.2185 -203124.3201 2692.0814 0.0000 0.0000 51916.2368 -109127.6882 298.3633 -161043.9250 -108771.7458 299.5234 3.8535 28.0433 764737.2732 2.6027 2.6343 LDB: ============= START OF LOAD BALANCING ============== 1365.03 LDB: ============== END OF LOAD BALANCING =============== 1365.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1365.03 LDB: ============= START OF LOAD BALANCING ============== 1365.35 LDB: Largest compute 7069 load 0.032055 is 16.4% of average load 0.195087 LDB: Average compute 0.004393 is 2.3% of average load 0.195087 LDB: TIME 1365.36 LOAD: AVG 0.195087 MAX 0.21313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1365.36 LOAD: AVG 0.195087 MAX 0.21313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.004 MB LDB: TIME 1365.36 LOAD: AVG 0.195087 MAX 0.21313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.004 MB LDB: ============== END OF LOAD BALANCING =============== 1365.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1365.36 PRESSURE: 428400 26.8409 -318.991 71.97 -318.992 -35.108 -10.8896 71.9701 -10.8888 245.284 GPRESSURE: 428400 35.0414 -234.528 -60.269 -142.932 15.7602 40.3073 -11.5825 14.6935 247.795 PRESSAVG: 428400 -17.0582 5.54049 9.9155 5.54044 39.9861 16.3217 9.91549 16.3217 -24.213 GPRESSAVG: 428400 -16.6246 6.26855 10.063 6.73065 40.4549 14.4427 9.80743 18.874 -25.5931 TIMING: 428400 CPU: 1353.15, 0.00323842/step Wall: 1353.15, 0.00323842/step, 4.11244 hours remaining, 233.636719 MB of memory in use. ENERGY: 428400 3929.8493 20588.2639 14471.4085 256.1625 -203331.7702 2861.8420 0.0000 0.0000 51986.7122 -109237.5318 298.7683 -161224.2440 -108871.8715 299.3372 79.0056 99.5321 762984.5658 -0.4284 -0.5876 PRESSURE: 428600 -28.9496 13.6646 229.419 13.6649 -366.646 -122.708 229.419 -122.708 -54.3399 GPRESSURE: 428600 -85.2332 53.4641 254.335 1.40612 -237.378 -29.8409 167.849 -187.454 -42.8678 PRESSAVG: 428600 16.5485 -19.7733 -7.56115 -19.7733 -15.1997 -25.2271 -7.56113 -25.227 3.04198 GPRESSAVG: 428600 15.7141 -19.346 -7.09564 -22.625 -15.2059 -23.0618 -7.20796 -28.4989 4.41436 TIMING: 428600 CPU: 1353.78, 0.0031662/step Wall: 1353.78, 0.0031662/step, 4.02055 hours remaining, 233.839844 MB of memory in use. ENERGY: 428600 4058.4204 20652.1845 14487.6194 260.5998 -203688.5638 2799.6624 0.0000 0.0000 52206.1461 -109223.9311 300.0294 -161430.0772 -108870.0905 299.6799 -149.9784 -121.8262 762452.2935 1.4636 1.6409 PRESSURE: 428800 -142.364 -9.46879 -56.4044 -9.46832 154.47 21.8389 -56.4051 21.8395 111.295 GPRESSURE: 428800 -74.1657 24.8625 -23.4313 56.2511 83.1817 96.4789 -157.082 -53.9764 204.417 PRESSAVG: 428800 -3.32251 -28.9875 -2.63554 -28.9875 16.6826 55.4735 -2.63554 55.4734 -14.3901 GPRESSAVG: 428800 -3.33058 -30.1314 -3.28103 -27.199 16.3389 55.7676 -4.8163 55.6385 -14.2086 TIMING: 428800 CPU: 1354.42, 0.00317945/step Wall: 1354.42, 0.00317945/step, 4.03719 hours remaining, 233.839844 MB of memory in use. ENERGY: 428800 4001.1948 20671.1939 14488.0721 248.7834 -203557.9763 2870.8710 0.0000 0.0000 52211.4769 -109066.3841 300.0601 -161277.8610 -108702.1909 299.8553 41.1336 71.1444 762800.5990 -0.3433 -0.4001 PRESSURE: 429000 66.3165 171.426 124.429 171.426 -411.871 -94.515 124.429 -94.5153 -492.949 GPRESSURE: 429000 50.0489 213.42 181.037 214.19 -356.673 -46.7321 159.025 -26.4171 -435.698 PRESSAVG: 429000 17.1334 20.7939 7.61892 20.7939 -8.08854 82.339 7.61889 82.339 14.4559 GPRESSAVG: 429000 16.8511 20.792 10.2388 21.56 -7.7151 80.9314 6.51429 83.58 14.0325 TIMING: 429000 CPU: 1355.04, 0.00314714/step Wall: 1355.04, 0.00314714/step, 3.99599 hours remaining, 233.839844 MB of memory in use. ENERGY: 429000 4084.8403 20555.1833 14436.3332 247.6836 -202969.7982 2599.2967 0.0000 0.0000 51866.9659 -109179.4952 298.0802 -161046.4611 -108813.5854 299.5329 -279.5011 -247.4405 762953.0310 7.8336 7.7228 PRESSURE: 429200 7.82655 262.698 -190.66 262.698 154.039 46.4292 -190.661 46.4288 256.386 GPRESSURE: 429200 107.824 155.641 -234.014 225.283 163.373 59.878 -115.541 -77.2355 217.276 PRESSAVG: 429200 22.8359 -9.31526 -23.2025 -9.31522 -36.1318 -22.7937 -23.2025 -22.7938 -8.78599 GPRESSAVG: 429200 23.6533 -8.65575 -26.0804 -12.0104 -37.6886 -22.9295 -20.5149 -22.4922 -8.11681 TIMING: 429200 CPU: 1355.67, 0.00314579/step Wall: 1355.67, 0.00314579/step, 3.9941 hours remaining, 233.839844 MB of memory in use. ENERGY: 429200 4031.3073 20498.9856 14478.1771 243.4537 -203371.0831 2660.0052 0.0000 0.0000 52086.6001 -109372.5541 299.3424 -161459.1542 -109002.6207 299.0711 139.4173 162.8241 762414.6174 -7.3606 -7.3840 PRESSURE: 429400 -631.641 -18.4876 45.1188 -18.4878 -135.48 -4.02062 45.1189 -4.02019 -448.09 GPRESSURE: 429400 -523.911 -31.904 -88.0445 -101.228 -112.851 -14.8527 66.4147 -10.4513 -469.518 PRESSAVG: 429400 -14.762 -1.61069 -43.0537 -1.61065 -15.5792 20.1463 -43.0538 20.1463 13.1227 GPRESSAVG: 429400 -14.0308 -2.1787 -42.6284 -0.841311 -14.9687 21.1651 -44.8329 18.6897 11.5412 TIMING: 429400 CPU: 1356.3, 0.00314406/step Wall: 1356.3, 0.00314406/step, 3.99174 hours remaining, 233.839844 MB of memory in use. ENERGY: 429400 4052.0923 20533.4712 14525.9376 268.3021 -203443.7929 2637.9010 0.0000 0.0000 51968.3958 -109457.6929 298.6631 -161426.0887 -109085.9663 298.3152 -405.0703 -368.7601 764510.4858 -5.7395 -5.8194 PRESSURE: 429600 137.293 50.8999 -19.6414 50.8995 -139.06 265.943 -19.6417 265.941 -138.561 GPRESSURE: 429600 131.644 106.953 -107.801 27.3325 -131.067 207.121 -15.0568 176.197 -66.1074 PRESSAVG: 429600 27.3752 2.24806 -18.3162 2.24802 -53.4137 -7.40439 -18.3161 -7.40437 0.305349 GPRESSAVG: 429600 25.7686 0.908509 -17.9837 4.27002 -53.1595 -8.54803 -19.1456 -8.31804 1.76032 TIMING: 429600 CPU: 1356.93, 0.00314619/step Wall: 1356.93, 0.00314619/step, 3.99427 hours remaining, 233.839844 MB of memory in use. ENERGY: 429600 4002.9181 20372.5943 14541.3054 259.4724 -203478.8719 2755.1461 0.0000 0.0000 52069.1810 -109478.2546 299.2423 -161547.4356 -109105.2486 298.7641 -46.7761 -21.8434 763779.7267 -8.5777 -8.5435 PRESSURE: 429800 122.557 30.4903 -86.9376 30.4895 -321.673 9.46941 -86.938 9.46832 -150.246 GPRESSURE: 429800 180.437 1.74108 -116.602 36.8915 -330.06 75.5685 -104.256 -49.8958 -133.611 PRESSAVG: 429800 -2.21857 41.8409 -32.1802 41.8409 25.4658 28.3045 -32.1802 28.3044 19.3253 GPRESSAVG: 429800 -2.29789 43.5316 -33.549 40.1817 26.1669 30.5083 -31.7916 30.8357 18.8023 TIMING: 429800 CPU: 1357.56, 0.00314851/step Wall: 1357.56, 0.00314851/step, 3.99703 hours remaining, 233.839844 MB of memory in use. ENERGY: 429800 4070.6615 20541.2509 14540.0228 264.4096 -203526.5668 2634.9471 0.0000 0.0000 52065.7395 -109409.5354 299.2225 -161475.2749 -109047.1590 298.7588 -116.4537 -94.4116 761399.8491 14.1909 14.2237 PRESSURE: 430000 -317.248 -133.911 -59.832 -133.911 -84.093 62.7144 -59.8322 62.715 121.62 GPRESSURE: 430000 -252.44 -211.425 10.4655 -180.975 -80.7462 30.3813 -131.315 8.9329 120.165 PRESSAVG: 430000 38.3769 2.54156 32.4242 2.5416 -10.5794 -7.78853 32.4242 -7.78851 3.93893 GPRESSAVG: 430000 39.499 3.37317 32.3274 1.00025 -11.8623 -8.39985 34.4347 -9.83427 4.56064 TIMING: 430000 CPU: 1358.19, 0.00314259/step Wall: 1358.19, 0.00314259/step, 3.98935 hours remaining, 233.839844 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: 430000 3923.2457 20591.2707 14490.3015 244.0776 -203208.2712 2730.4639 0.0000 0.0000 51975.4110 -109253.5008 298.7034 -161228.9118 -108886.4602 298.7866 -93.2403 -71.0071 764127.1034 10.5788 10.7324 PRESSURE: 430200 -96.7405 -136.91 106.791 -136.909 -254.316 -207.789 106.791 -207.789 -223.325 GPRESSURE: 430200 -145.316 -172.647 13.7501 -74.7428 -197.401 -118.499 186.561 -80.1636 -147.603 PRESSAVG: 430200 38.8899 -35.2888 -24.4672 -35.2887 -41.3129 -26.5265 -24.4672 -26.5265 8.28737 GPRESSAVG: 430200 37.6817 -36.5378 -23.8112 -34.6973 -40.7664 -26.5192 -24.7385 -26.2792 8.79935 TIMING: 430200 CPU: 1358.82, 0.00314987/step Wall: 1358.82, 0.00314987/step, 3.99842 hours remaining, 233.839844 MB of memory in use. ENERGY: 430200 3973.2751 20472.9627 14436.1753 258.7389 -203034.7372 2438.4481 0.0000 0.0000 52160.0710 -109295.0662 299.7646 -161455.1372 -108930.5209 298.8558 -191.4604 -163.4400 763547.4874 1.9548 1.9049 PRESSURE: 430400 143.544 -49.8104 22.3952 -49.8112 62.25 -23.4608 22.3954 -23.4614 -126.704 GPRESSURE: 430400 200.656 -63.9532 -48.682 -24.0663 27.2005 -38.4769 -81.2325 -44.9963 -70.9857 PRESSAVG: 430400 49.2463 11.5456 18.4692 11.5456 -54.0072 -9.09165 18.4692 -9.09172 -0.036408 GPRESSAVG: 430400 50.2048 11.3298 18.9108 12.4189 -54.6269 -9.70781 16.2376 -8.37522 -0.870278 TIMING: 430400 CPU: 1359.45, 0.0031381/step Wall: 1359.45, 0.0031381/step, 3.98329 hours remaining, 233.839844 MB of memory in use. ENERGY: 430400 4009.3080 20565.2877 14520.8619 258.9843 -203880.8219 3020.1992 0.0000 0.0000 52065.9915 -109440.1893 299.2240 -161506.1809 -109087.5880 298.7436 26.3632 52.2903 760191.0443 -1.5991 -1.7641 PRESSURE: 430600 331.41 -55.2851 -47.8664 -55.2851 226.472 72.9075 -47.8671 72.9068 -61.6997 GPRESSURE: 430600 306.479 -40.1924 45.2424 -36.3814 212.182 115.605 0.345091 50.2239 26.9201 PRESSAVG: 430600 97.9085 -42.1791 20.6185 -42.1791 -44.6923 37.1731 20.6185 37.173 16.8 GPRESSAVG: 430600 97.1694 -39.7711 20.423 -44.4604 -44.2725 37.5884 22.0055 36.8099 17.1432 TIMING: 430600 CPU: 1360.08, 0.003153/step Wall: 1360.08, 0.003153/step, 4.00203 hours remaining, 233.839844 MB of memory in use. ENERGY: 430600 3954.7933 20616.9541 14513.2704 230.1318 -203514.3744 3003.3822 0.0000 0.0000 51740.1612 -109455.6815 297.3514 -161195.8427 -109091.8702 299.0809 165.3941 181.8603 761488.6735 23.3387 23.3467 PRESSURE: 430800 -55.2672 -14.9468 9.7319 -14.947 209.921 -30.9637 9.73182 -30.9652 85.6972 GPRESSURE: 430800 -80.9056 -59.2953 -62.7859 -60.0324 234.124 -115.972 59.4586 -96.7296 171.202 PRESSAVG: 430800 25.1461 16.0988 15.3232 16.0989 -38.7245 82.5697 15.3232 82.5697 -18.5421 GPRESSAVG: 430800 25.5258 13.8435 14.8756 18.5167 -38.7634 82.2939 15.5458 83.4308 -18.5323 TIMING: 430800 CPU: 1360.71, 0.0031663/step Wall: 1360.71, 0.0031663/step, 4.01874 hours remaining, 233.839844 MB of memory in use. ENERGY: 430800 3884.3849 20629.1852 14438.3692 254.6628 -203569.5825 2769.0069 0.0000 0.0000 52018.7199 -109575.2536 298.9523 -161593.9735 -109221.2877 298.7281 80.1170 108.1403 762979.8617 -10.7068 -10.5900 PRESSURE: 431000 92.5362 -224.32 -85.8163 -224.321 327.282 199.138 -85.8153 199.137 -124.473 GPRESSURE: 431000 141.584 -209.232 -170.705 -261.01 362.279 73.2299 -82.2786 345.875 -118.563 PRESSAVG: 431000 5.10018 -68.8218 -27.0464 -68.8219 10.9595 -2.95691 -27.0464 -2.95691 41.3695 GPRESSAVG: 431000 5.57047 -67.5454 -26.8114 -70.7988 10.7762 -3.84925 -29.3126 -1.75747 41.1772 TIMING: 431000 CPU: 1361.34, 0.00314346/step Wall: 1361.34, 0.00314346/step, 3.98958 hours remaining, 233.839844 MB of memory in use. ENERGY: 431000 4001.1336 20533.9714 14474.3266 246.2787 -203509.6927 2996.0804 0.0000 0.0000 51965.5738 -109292.3283 298.6469 -161257.9021 -108944.0667 298.9029 98.4485 128.4330 762896.9391 19.1431 19.1746 PRESSURE: 431200 426.42 -96.3142 54.8363 -96.3139 78.3388 -115.262 54.8364 -115.261 271.738 GPRESSURE: 431200 405.512 -157.198 72.8448 -133.813 203.846 -83.1251 185.886 -108.616 270.28 PRESSAVG: 431200 36.47 -35.4972 41.6378 -35.4971 -34.2695 -4.99993 41.6377 -4.99988 -2.51944 GPRESSAVG: 431200 36.4682 -36.2741 42.1343 -33.9051 -33.2875 -4.25544 43.9594 -7.45367 -2.89734 TIMING: 431200 CPU: 1361.97, 0.00314523/step Wall: 1361.97, 0.00314523/step, 3.99165 hours remaining, 233.839844 MB of memory in use. ENERGY: 431200 4012.2341 20571.0986 14546.2045 225.7864 -203470.0558 2798.0351 0.0000 0.0000 51998.5384 -109318.1588 298.8363 -161316.6971 -108959.1603 299.0983 258.8324 293.2126 761755.4325 -0.1063 0.0945 PRESSURE: 431400 -25.135 -206.614 61.822 -206.614 168.912 64.7732 61.8227 64.7748 204.796 GPRESSURE: 431400 79.9982 -124.579 100.634 -225.84 169.153 66.8655 67.7852 33.1789 178.221 PRESSAVG: 431400 -25.7792 -63.5872 -19.6785 -63.5871 4.53168 34.1832 -19.6786 34.1833 -0.188797 GPRESSAVG: 431400 -27.4445 -61.9633 -18.4688 -64.6221 4.52753 34.2486 -19.4201 35.1432 0.941367 TIMING: 431400 CPU: 1362.6, 0.00313637/step Wall: 1362.6, 0.00313637/step, 3.98023 hours remaining, 233.839844 MB of memory in use. ENERGY: 431400 4012.4452 20571.1653 14448.3201 237.5630 -203431.8774 2826.8946 0.0000 0.0000 51956.7263 -109378.7629 298.5960 -161335.4892 -109018.8813 298.8813 116.1910 142.4572 763776.2063 -7.1454 -7.3252 PRESSURE: 431600 85.5717 -62.2586 -205.648 -62.2586 41.8064 31.4835 -205.648 31.4846 -43.564 GPRESSURE: 431600 -6.64837 -91.6756 -277.025 83.4567 112.693 73.8834 -156.457 77.1529 54.3769 PRESSAVG: 431600 28.9982 -9.6624 6.64425 -9.66241 -9.07226 27.9095 6.64427 27.9094 16.2296 GPRESSAVG: 431600 30.2683 -10.3992 4.54623 -10.0997 -10.1096 27.9442 5.51321 31.1806 15.4828 TIMING: 431600 CPU: 1363.23, 0.00315131/step Wall: 1363.23, 0.00315131/step, 3.99901 hours remaining, 233.839844 MB of memory in use. ENERGY: 431600 4033.3287 20547.7040 14483.0385 259.3062 -203470.4274 2986.3888 0.0000 0.0000 51793.1258 -109367.5352 297.6558 -161160.6611 -109006.2395 298.5630 27.9380 53.4737 762811.0416 12.0519 11.8805 PRESSURE: 431800 52.3992 -102.175 -178.932 -102.175 228.506 164.062 -178.932 164.061 470.739 GPRESSURE: 431800 141.786 -157.245 -99.5367 1.70529 128.05 155.923 -220.817 99.8595 560.3 PRESSAVG: 431800 24.003 -33.5974 10.2378 -33.5975 -9.5489 15.2331 10.2378 15.2331 -30.2849 GPRESSAVG: 431800 23.5276 -32.8859 12.048 -33.5839 -9.15171 16.7316 10.29 13.9284 -29.9715 TIMING: 431800 CPU: 1363.86, 0.00316792/step Wall: 1363.86, 0.00316792/step, 4.01992 hours remaining, 233.839844 MB of memory in use. ENERGY: 431800 3955.3200 20635.7296 14564.4803 264.1509 -203742.6894 2852.7653 0.0000 0.0000 52210.0610 -109260.1822 300.0519 -161470.2432 -108896.3437 299.1300 250.5480 276.7120 762342.4779 -5.2769 -5.1985 PRESSURE: 432000 -127.5 5.95773 -126.854 5.95775 -107.293 -262.226 -126.853 -262.227 -485.065 GPRESSURE: 432000 -77.1173 -13.5324 -63.7193 102.531 -67.5573 -320.883 -95.5286 -102.88 -496.685 PRESSAVG: 432000 0.80194 13.0642 -4.90876 13.0643 76.9041 23.4834 -4.90872 23.4835 18.3386 GPRESSAVG: 432000 0.935115 11.8955 -5.22927 14.0714 76.7907 22.532 -5.60821 23.5665 18.1584 TIMING: 432000 CPU: 1364.49, 0.00313511/step Wall: 1364.49, 0.00313511/step, 3.9781 hours remaining, 233.839844 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: 432000 4096.9453 20488.4199 14465.8682 221.8301 -203627.5790 2926.3867 0.0000 0.0000 52132.3911 -109295.7378 299.6056 -161428.1288 -108929.5658 299.3566 -239.9523 -213.7866 761992.7036 32.0149 31.9614 PRESSURE: 432200 -182.21 16.4303 15.7532 16.4298 -142.94 70.1617 15.7536 70.1614 -15.6235 GPRESSURE: 432200 -115.489 71.6913 8.91636 66.3434 -179.593 60.0343 -101.102 0.549102 46.8283 PRESSAVG: 432200 -93.0746 -41.065 -2.38875 -41.0649 66.1308 -27.8033 -2.38874 -27.8033 -7.6618 GPRESSAVG: 432200 -94.1434 -40.1438 -2.94229 -41.363 66.3652 -29.2065 0.0410685 -28.4829 -6.96799 TIMING: 432200 CPU: 1365.12, 0.00315226/step Wall: 1365.12, 0.00315226/step, 3.99969 hours remaining, 233.839844 MB of memory in use. ENERGY: 432200 4034.5319 20463.7125 14445.3405 258.5988 -203477.6935 2647.3792 0.0000 0.0000 52066.8474 -109561.2832 299.2289 -161628.1307 -109203.8466 299.2191 -113.5910 -82.7512 760524.6791 -11.5352 -11.5821 LDB: ============= START OF LOAD BALANCING ============== 1377.65 LDB: ============== END OF LOAD BALANCING =============== 1377.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1377.65 LDB: ============= START OF LOAD BALANCING ============== 1377.97 LDB: Largest compute 7070 load 0.028891 is 14.8% of average load 0.195138 LDB: Average compute 0.004384 is 2.2% of average load 0.195138 LDB: TIME 1377.97 LOAD: AVG 0.195138 MAX 0.212658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 1377.97 LOAD: AVG 0.195138 MAX 0.212658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 1377.97 LOAD: AVG 0.195138 MAX 0.212658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 1377.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1377.98 PRESSURE: 432400 -102.251 29.4052 204.977 29.4061 -64.7125 -45.3311 204.977 -45.3316 -226.075 GPRESSURE: 432400 -146.689 157.034 141.686 -11.6252 -32.3978 -4.57672 118.198 -223.184 -123.896 PRESSAVG: 432400 3.26384 -42.0403 17.9139 -42.0403 23.4991 7.85249 17.9139 7.85251 3.26644 GPRESSAVG: 432400 4.43227 -42.5383 19.9935 -43.9481 23.4595 10.3294 13.3402 4.95479 2.08362 TIMING: 432400 CPU: 1365.76, 0.00321203/step Wall: 1365.76, 0.00321203/step, 4.07535 hours remaining, 232.355469 MB of memory in use. ENERGY: 432400 3942.6034 20414.7857 14491.9358 235.4535 -203329.4614 2613.7788 0.0000 0.0000 52005.5977 -109625.3065 298.8769 -161630.9042 -109256.0978 298.3931 -131.0130 -100.9943 761659.0403 10.0098 9.9918 PRESSURE: 432600 -351.791 -47.7041 4.97139 -47.7037 -278.381 -70.4132 4.97179 -70.4123 162.067 GPRESSURE: 432600 -246.401 -66.6065 -43.525 -18.1235 -242.536 -13.6409 102.466 32.717 112.584 PRESSAVG: 432600 -6.35783 9.67896 -4.02372 9.67899 9.27338 12.0458 -4.02375 12.0458 -18.2571 GPRESSAVG: 432600 -6.2592 10.5517 -6.86718 10.5536 9.79693 12.686 -0.4787 14.9943 -18.4356 TIMING: 432600 CPU: 1366.39, 0.00315543/step Wall: 1366.39, 0.00315543/step, 4.00336 hours remaining, 232.355469 MB of memory in use. ENERGY: 432600 3916.4319 20278.5053 14433.2457 248.1619 -203121.1213 2690.9555 0.0000 0.0000 52046.7497 -109507.0713 299.1134 -161553.8209 -109145.1722 298.1835 -156.0348 -125.4509 763522.9494 -5.1139 -4.9660 PRESSURE: 432800 242.854 -49.3577 -81.2168 -49.3574 255.844 52.128 -81.2166 52.1281 154.043 GPRESSURE: 432800 202.925 -99.9071 -140.498 -10.7159 319.29 71.5718 -27.2476 -57.6901 219.031 PRESSAVG: 432800 8.08759 -26.5774 12.8843 -26.5775 -8.76547 38.7307 12.8843 38.7308 16.5725 GPRESSAVG: 432800 7.63019 -28.4602 13.0248 -26.0097 -9.17143 37.5912 13.6174 37.7653 16.7486 TIMING: 432800 CPU: 1367.03, 0.00317956/step Wall: 1367.03, 0.00317956/step, 4.0338 hours remaining, 232.355469 MB of memory in use. ENERGY: 432800 3906.9068 20399.1988 14457.1831 246.3742 -203627.3943 2945.1168 0.0000 0.0000 52191.9224 -109480.6923 299.9477 -161672.6147 -109120.0645 298.5735 217.5804 247.0821 761533.4568 5.2982 5.0691 PRESSURE: 433000 -269.337 153.956 -117.984 153.956 -59.7659 -80.308 -117.984 -80.308 -269.93 GPRESSURE: 433000 -219.961 52.1357 -56.6514 149.007 -33.4675 -113.753 -151.095 -102.969 -258.497 PRESSAVG: 433000 -2.99614 -28.5254 -24.5907 -28.5254 7.57568 58.5333 -24.5907 58.5333 11.271 GPRESSAVG: 433000 -2.82286 -28.1321 -23.8496 -30.1546 8.04519 59.131 -28.137 58.863 11.2828 TIMING: 433000 CPU: 1367.66, 0.00316938/step Wall: 1367.66, 0.00316938/step, 4.02071 hours remaining, 232.355469 MB of memory in use. ENERGY: 433000 3982.4981 20428.5232 14530.0555 264.4221 -203441.2717 2661.2410 0.0000 0.0000 52132.5636 -109441.9681 299.6066 -161574.5317 -109072.8775 298.9309 -199.6777 -170.6419 764295.4016 5.2835 5.5017 PRESSURE: 433200 153.534 99.0683 -213.615 99.0672 -210.396 126.502 -213.615 126.504 57.8867 GPRESSURE: 433200 227.25 117.001 -214.718 67.2261 -251.574 175.476 -186.779 175.062 79.7749 PRESSAVG: 433200 8.44345 34.3666 -36.0581 34.3666 11.2766 0.845774 -36.0581 0.845733 -22.9991 GPRESSAVG: 433200 7.60929 33.3211 -35.0221 35.9879 10.7157 0.799169 -34.4039 1.0758 -22.1742 TIMING: 433200 CPU: 1368.3, 0.0031754/step Wall: 1368.3, 0.0031754/step, 4.02817 hours remaining, 232.355469 MB of memory in use. ENERGY: 433200 3944.5009 20503.2813 14458.4899 266.7184 -203494.4002 2927.8648 0.0000 0.0000 51895.9869 -109497.5579 298.2470 -161393.5448 -109144.8123 298.1959 0.3416 18.4836 765447.9883 -1.0930 -1.2831 PRESSURE: 433400 64.8026 154.135 -140.538 154.135 -26.9387 215.083 -140.536 215.083 -509.685 GPRESSURE: 433400 148.565 95.6592 -178.26 122.994 26.485 290.44 -105.765 234.867 -548.875 PRESSAVG: 433400 60.9081 -36.4506 -50.48 -36.4506 -37.3786 19.8353 -50.4799 19.8351 -13.0308 GPRESSAVG: 433400 60.9038 -34.1892 -52.7533 -36.8276 -37.0344 20.0923 -50.9197 20.5319 -13.4485 TIMING: 433400 CPU: 1368.93, 0.00315826/step Wall: 1368.93, 0.00315826/step, 4.00625 hours remaining, 232.355469 MB of memory in use. ENERGY: 433400 4004.8733 20499.0066 14518.0749 249.6592 -203570.5770 2519.0606 0.0000 0.0000 52150.8957 -109629.0067 299.7119 -161779.9023 -109273.2672 298.3755 -157.2738 -124.6085 762607.9869 3.4996 3.4736 PRESSURE: 433600 -70.6072 -47.7589 -99.0688 -47.7584 -165.797 33.4263 -99.0682 33.4266 334.588 GPRESSURE: 433600 -58.067 -118.371 -83.6482 -22.8253 -161.612 59.5453 -56.3291 113.357 373.296 PRESSAVG: 433600 11.546 -33.7026 -13.9516 -33.7027 5.97127 65.9916 -13.9517 65.9916 23.3417 GPRESSAVG: 433600 12.6856 -35.1503 -12.8696 -33.4254 5.54131 65.9937 -14.854 64.9016 22.2998 TIMING: 433600 CPU: 1369.56, 0.00317196/step Wall: 1369.56, 0.00317196/step, 4.02346 hours remaining, 232.355469 MB of memory in use. ENERGY: 433600 3973.2100 20626.0545 14506.9170 256.5502 -203342.8255 2640.8926 0.0000 0.0000 51888.7159 -109450.4853 298.2052 -161339.2013 -109089.4067 298.6893 32.7280 51.2057 762454.9481 13.6197 13.5089 PRESSURE: 433800 -1.5057 -119.927 112.677 -119.927 -137.099 93.4588 112.677 93.4584 149.394 GPRESSURE: 433800 -1.07744 -103.218 86.9483 -143.708 -73.6797 8.66966 45.3523 225.185 164.035 PRESSAVG: 433800 19.8348 -46.589 -17.0929 -46.5891 -18.3594 2.33086 -17.093 2.33093 17.6129 GPRESSAVG: 433800 18.5229 -46.6672 -16.65 -46.7892 -18.6321 1.07661 -16.1128 2.10949 18.6863 TIMING: 433800 CPU: 1370.2, 0.00316664/step Wall: 1370.2, 0.00316664/step, 4.01654 hours remaining, 232.355469 MB of memory in use. ENERGY: 433800 4071.0367 20456.5279 14461.4824 255.2158 -203350.4794 2560.9678 0.0000 0.0000 52223.2112 -109322.0377 300.1275 -161545.2489 -108949.7908 298.7805 3.5967 29.7594 762962.0237 6.3628 6.1924 PRESSURE: 434000 -534.646 -39.4041 -246.173 -39.4036 -343.014 47.7627 -246.173 47.7627 -125.176 GPRESSURE: 434000 -460.705 -0.289988 -199.729 -39.0979 -369.167 115.849 -83.6396 11.0591 -79.1446 PRESSAVG: 434000 -22.8832 -37.2734 -38.3904 -37.2733 16.7199 3.19225 -38.3903 3.19224 -3.60852 GPRESSAVG: 434000 -22.0238 -37.43 -39.1391 -36.1259 16.7952 4.7594 -39.0067 2.80004 -5.09904 TIMING: 434000 CPU: 1370.83, 0.00315844/step Wall: 1370.83, 0.00315844/step, 4.00596 hours remaining, 232.355469 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: 434000 4082.5845 20528.2588 14360.7357 256.9212 -203106.0493 2581.1942 0.0000 0.0000 52020.3176 -109276.0374 298.9615 -161296.3550 -108922.8634 299.1985 -334.2784 -303.0054 764110.6492 -3.2573 -3.4425 PRESSURE: 434200 350.795 8.58682 29.4113 8.58677 -318.241 172.891 29.4111 172.891 -326.621 GPRESSURE: 434200 261.347 108.378 11.4815 10.0172 -98.0196 180.702 -52.1174 104.094 -375.025 PRESSAVG: 434200 -15.3151 15.1342 14.3944 15.1342 -17.6042 24.2588 14.3943 24.2588 14.5615 GPRESSAVG: 434200 -16.4885 13.5048 16.1381 13.3198 -17.483 23.1755 16.3685 24.857 16.0602 TIMING: 434200 CPU: 1371.46, 0.00316253/step Wall: 1371.46, 0.00316253/step, 4.01097 hours remaining, 232.355469 MB of memory in use. ENERGY: 434200 3940.9200 20560.3283 14464.2697 233.3365 -203206.3258 2793.6196 0.0000 0.0000 52060.5619 -109153.2898 299.1928 -161213.8517 -108789.1928 299.2253 -98.0226 -70.5661 765196.4064 -6.1192 -5.9705 PRESSURE: 434400 -55.1537 93.5118 -43.2429 93.5121 -511.966 58.5991 -43.2431 58.5998 232.693 GPRESSURE: 434400 -90.045 23.5526 -104.878 176.126 -408.503 -16.3834 -52.5718 81.321 229.145 PRESSAVG: 434400 -49.4114 1.06294 15.1511 1.06298 35.6746 8.05047 15.1511 8.05045 -6.96558 GPRESSAVG: 434400 -47.8606 3.78076 13.241 1.15298 35.7661 8.09599 14.6564 8.47274 -8.17985 TIMING: 434400 CPU: 1372.09, 0.00314386/step Wall: 1372.09, 0.00314386/step, 3.98711 hours remaining, 232.421875 MB of memory in use. ENERGY: 434400 3986.7193 20559.8813 14534.1329 241.7577 -203476.7156 2988.3406 0.0000 0.0000 52154.0951 -109011.7886 299.7303 -161165.8837 -108649.8840 299.3296 -111.4757 -89.8012 764649.8067 -6.9008 -6.7581 PRESSURE: 434600 -11.6399 -27.2654 -8.20058 -27.2655 283.883 -151.077 -8.20093 -151.077 396.049 GPRESSURE: 434600 125.874 -68.5139 39.8086 -36.4903 227.437 -87.9682 -28.758 -57.2942 396.558 PRESSAVG: 434600 5.62323 -11.1455 -19.9622 -11.1455 15.8744 -13.5349 -19.9622 -13.5348 11.0587 GPRESSAVG: 434600 6.05227 -11.3444 -18.7315 -11.724 15.9059 -12.916 -21.7132 -14.3095 10.0056 TIMING: 434600 CPU: 1372.72, 0.00316389/step Wall: 1372.72, 0.00316389/step, 4.01234 hours remaining, 232.421875 MB of memory in use. ENERGY: 434600 3992.7343 20499.6595 14525.1180 254.5231 -203279.5668 2841.9673 0.0000 0.0000 52027.4612 -109138.1034 299.0025 -161165.5646 -108764.9744 299.4386 222.7640 249.9562 763078.3302 10.8521 10.6546 PRESSURE: 434800 -75.9008 -51.6925 -188.103 -51.6927 336.279 145.115 -188.103 145.115 262.851 GPRESSURE: 434800 -36.6154 29.8514 -199.278 -48.2542 418.343 139.079 77.5855 58.4237 221.419 PRESSAVG: 434800 -72.526 15.6012 -48.4549 15.6011 56.4394 -29.5033 -48.455 -29.5032 5.37855 GPRESSAVG: 434800 -74.737 16.9659 -48.5397 17.1479 56.3245 -30.8851 -46.8648 -26.5542 7.0823 TIMING: 434800 CPU: 1373.35, 0.00313066/step Wall: 1373.35, 0.00313066/step, 3.97002 hours remaining, 232.421875 MB of memory in use. ENERGY: 434800 3913.3927 20548.5851 14557.0927 220.6903 -203011.7241 2473.8597 0.0000 0.0000 52183.2618 -109114.8419 299.8979 -161298.1037 -108750.3837 299.4697 174.4098 201.0487 762187.9813 -3.5693 -3.7767 PRESSURE: 435000 117.203 21.2303 259.12 21.2301 -104.584 61.7066 259.12 61.7072 -146.689 GPRESSURE: 435000 112.127 54.3456 139.015 83.9961 -54.2273 39.9214 71.4402 218.42 -125.129 PRESSAVG: 435000 -38.7935 41.7867 -42.061 41.7867 11.5649 -16.4835 -42.061 -16.4835 24.9965 GPRESSAVG: 435000 -38.5416 40.8018 -43.5699 41.9259 11.4699 -15.2081 -42.4679 -17.1862 24.3579 TIMING: 435000 CPU: 1373.98, 0.00314653/step Wall: 1373.98, 0.00314653/step, 3.98998 hours remaining, 232.421875 MB of memory in use. ENERGY: 435000 3928.6064 20688.6056 14562.1947 240.4334 -203184.8313 2602.6945 0.0000 0.0000 52031.9259 -109130.3707 299.0282 -161162.2966 -108769.6926 299.5257 -44.6900 -22.4096 761413.4853 -0.7440 -0.9046 PRESSURE: 435200 -45.0379 110.243 -132.111 110.242 52.9243 6.61048 -132.111 6.61002 95.8364 GPRESSURE: 435200 20.4577 155.215 -102.395 23.7411 92.3153 -5.69597 -97.8716 -72.2214 69.2369 PRESSAVG: 435200 -26.2702 9.01405 18.1413 9.01405 28.673 64.9816 18.1413 64.9816 -0.8412 GPRESSAVG: 435200 -25.4124 10.71 17.7914 6.91809 27.743 63.9795 20.5115 63.8462 -0.72548 TIMING: 435200 CPU: 1374.61, 0.00315993/step Wall: 1374.61, 0.00315993/step, 4.00679 hours remaining, 232.421875 MB of memory in use. ENERGY: 435200 3946.4647 20347.0406 14524.5521 259.7210 -203286.5907 2602.4705 0.0000 0.0000 52381.7293 -109224.6125 301.0385 -161606.3418 -108852.6041 299.5883 34.5743 60.6700 763204.9634 0.5205 0.5350 PRESSURE: 435400 -250.197 90.5963 40.9416 90.596 -179.87 -232.737 40.9413 -232.738 395.889 GPRESSURE: 435400 -230.557 74.3845 63.3333 124.372 -125.964 -158.502 28.4546 -238.491 404.922 PRESSAVG: 435400 -30.6618 -7.69203 34.9977 -7.69205 11.7314 -18.0222 34.9977 -18.0222 6.24872 GPRESSAVG: 435400 -31.793 -9.81402 35.3238 -5.89105 13.2964 -17.1648 33.4922 -19.5895 5.24995 TIMING: 435400 CPU: 1375.24, 0.00314343/step Wall: 1375.24, 0.00314343/step, 3.9857 hours remaining, 232.421875 MB of memory in use. ENERGY: 435400 3933.6441 20640.7929 14560.3791 251.3588 -203175.9219 2701.9746 0.0000 0.0000 52175.7845 -108911.9878 299.8550 -161087.7724 -108551.9480 299.6019 -11.3924 16.1337 763461.3073 -4.2272 -4.4155 PRESSURE: 435600 -22.7188 48.9263 -265.534 48.9267 107.709 -155.245 -265.533 -155.246 -37.8756 GPRESSURE: 435600 27.0176 -79.5091 -153.472 -1.68698 21.1373 -156.745 -319.659 -195.292 82.3478 PRESSAVG: 435600 -9.09436 -22.8986 -19.6307 -22.8986 -9.20658 -29.9608 -19.6307 -29.9608 -28.5236 GPRESSAVG: 435600 -9.01893 -24.7416 -19.9138 -25.766 -9.94396 -31.3729 -20.4532 -29.1507 -27.618 TIMING: 435600 CPU: 1375.87, 0.0031601/step Wall: 1375.87, 0.0031601/step, 4.00665 hours remaining, 232.421875 MB of memory in use. ENERGY: 435600 3974.3237 20624.1143 14556.8836 252.7809 -203155.5678 2640.6762 0.0000 0.0000 52031.9393 -109074.8498 299.0283 -161106.7891 -108707.7341 299.3936 15.7049 43.5009 764389.3229 -15.6082 -15.5270 PRESSURE: 435800 376.353 149.477 63.6614 149.477 62.6171 -139.059 63.6619 -139.058 46.5698 GPRESSURE: 435800 338.619 191.459 22.5413 164.592 126.531 -140.567 55.5856 -176.78 87.9127 PRESSAVG: 435800 12.2046 3.01785 -14.6466 3.01785 -7.21598 -9.07913 -14.6466 -9.07906 -1.47255 GPRESSAVG: 435800 13.1204 6.2451 -13.6365 3.35524 -8.49836 -7.10128 -15.3316 -9.15351 -0.262125 TIMING: 435800 CPU: 1376.5, 0.00315142/step Wall: 1376.5, 0.00315142/step, 3.99548 hours remaining, 232.421875 MB of memory in use. ENERGY: 435800 3989.3392 20634.3102 14533.3772 240.0917 -203478.1663 2793.0135 0.0000 0.0000 52153.6397 -109134.3948 299.7277 -161288.0345 -108764.4173 299.4337 161.8465 184.3544 762384.1079 1.1720 1.4533 PRESSURE: 436000 122.372 -169.22 -210.179 -169.22 124.505 -167.394 -210.179 -167.394 -124.062 GPRESSURE: 436000 164.922 -225.085 -240.316 -50.0555 109.792 -225.57 -174.634 -158.211 -76.785 PRESSAVG: 436000 6.20774 -19.466 -16.5905 -19.4661 32.3431 21.6039 -16.5905 21.6039 24.2203 GPRESSAVG: 436000 4.86822 -21.1424 -17.17 -18.2946 33.9277 21.6483 -15.9178 21.699 24.5255 TIMING: 436000 CPU: 1377.13, 0.00315668/step Wall: 1377.13, 0.00315668/step, 4.00197 hours remaining, 232.421875 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: 436000 3996.3566 20555.1462 14535.5974 236.4354 -203153.0459 2699.4277 0.0000 0.0000 51907.2065 -109222.8762 298.3114 -161130.0827 -108864.2869 299.0476 40.9384 65.9764 764275.1149 20.9237 21.1071 PRESSURE: 436200 186.718 126.1 11.7611 126.101 136.427 231.575 11.7607 231.575 193.028 GPRESSURE: 436200 212.341 135.442 144.366 106.817 240.115 152.741 93.915 122.618 150.434 PRESSAVG: 436200 -62.8965 -37.7272 14.2462 -37.7272 78.523 40.2515 14.2462 40.2515 -22.7685 GPRESSAVG: 436200 -61.6357 -36.3655 13.9908 -39.4839 78.7134 39.5582 15.2821 40.3517 -24.2859 TIMING: 436200 CPU: 1377.76, 0.00315878/step Wall: 1377.76, 0.00315878/step, 4.00446 hours remaining, 232.421875 MB of memory in use. ENERGY: 436200 4002.6804 20508.9306 14500.7496 259.6926 -203715.8629 3086.5453 0.0000 0.0000 52035.5056 -109321.7587 299.0488 -161357.2643 -108967.7853 299.7139 172.0577 200.9633 763366.0630 -2.3807 -2.4027 LDB: ============= START OF LOAD BALANCING ============== 1390.29 LDB: ============== END OF LOAD BALANCING =============== 1390.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1390.3 LDB: ============= START OF LOAD BALANCING ============== 1390.61 LDB: Largest compute 7070 load 0.031190 is 16.0% of average load 0.195222 LDB: Average compute 0.004395 is 2.3% of average load 0.195222 LDB: TIME 1390.62 LOAD: AVG 0.195222 MAX 0.215141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 1390.62 LOAD: AVG 0.195222 MAX 0.215141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 1390.62 LOAD: AVG 0.195222 MAX 0.215141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 1390.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1390.63 PRESSURE: 436400 -25.7248 -30.33 -15.6459 -30.3295 -479.069 16.6176 -15.6459 16.6177 6.13444 GPRESSURE: 436400 -47.7514 -8.94863 -34.3806 -101.537 -290.776 75.0989 69.1362 49.2073 -83.5084 PRESSAVG: 436400 -55.4575 0.489663 37.0442 0.48961 71.7127 -17.3876 37.0441 -17.3877 20.3475 GPRESSAVG: 436400 -55.9926 0.542889 38.5199 1.69949 72.8308 -16.3541 35.3838 -17.5353 20.3366 TIMING: 436400 CPU: 1378.41, 0.00322815/step Wall: 1378.41, 0.00322815/step, 4.09222 hours remaining, 233.125000 MB of memory in use. ENERGY: 436400 4042.7136 20524.9244 14528.2631 233.3066 -203416.6739 2605.1489 0.0000 0.0000 52169.8636 -109312.4537 299.8209 -161482.3173 -108955.0485 298.9137 -166.2200 -140.6787 763067.8202 12.2009 12.3916 PRESSURE: 436600 -377.294 -157.971 16.8517 -157.972 -68.9125 -225.588 16.8521 -225.587 363.722 GPRESSURE: 436600 -319.316 -136.484 -24.1532 -207.516 -27.9456 -176.588 -84.7252 -244.659 342.283 PRESSAVG: 436600 -36.5702 -27.1364 -15.021 -27.1364 47.6386 -40.6113 -15.021 -40.6113 31.62 GPRESSAVG: 436600 -36.2672 -28.4315 -16.7191 -26.2368 46.5178 -40.9962 -14.4972 -40.8836 32.5176 TIMING: 436600 CPU: 1379.04, 0.00316493/step Wall: 1379.04, 0.00316493/step, 4.01191 hours remaining, 233.316406 MB of memory in use. ENERGY: 436600 4013.2506 20577.4661 14500.4646 240.1430 -203439.8631 2717.8818 0.0000 0.0000 52298.9376 -109091.7193 300.5627 -161390.6570 -108729.5005 299.7193 -27.4947 -1.6593 761565.9855 14.2295 14.2561 PRESSURE: 436800 59.1961 90.7002 34.3051 90.7006 419.385 -21.5783 34.3045 -21.5787 -68.6271 GPRESSURE: 436800 207.547 101.131 -21.093 25.4094 386.35 104.328 72.7764 49.6717 -88.6671 PRESSAVG: 436800 -23.8437 36.752 38.7006 36.7519 40.435 9.71705 38.7006 9.71704 -11.3474 GPRESSAVG: 436800 -24.2957 36.8831 39.6184 37.7104 41.1577 11.4688 36.2707 9.64628 -11.6059 TIMING: 436800 CPU: 1379.68, 0.0031737/step Wall: 1379.68, 0.0031737/step, 4.02284 hours remaining, 233.316406 MB of memory in use. ENERGY: 436800 4064.7198 20562.0289 14501.2964 239.2054 -203242.4105 2936.3188 0.0000 0.0000 51875.9748 -109062.8664 298.1319 -160938.8412 -108704.5020 299.5755 136.6512 168.4099 763419.6566 1.7479 1.7520 PRESSURE: 437000 -353.952 16.176 -53.4433 16.1755 -92.0261 97.1866 -53.4427 97.1861 -352.894 GPRESSURE: 437000 -332.712 63.9689 -17.0588 45.8421 -80.3893 87.5459 -151.068 41.923 -319.525 PRESSAVG: 437000 -27.2018 -28.2344 -13.9225 -28.2344 39.671 34.5488 -13.9225 34.5488 6.61379 GPRESSAVG: 437000 -25.7934 -27.6824 -13.6424 -29.345 38.256 33.0392 -11.565 35.6411 6.0331 TIMING: 437000 CPU: 1380.31, 0.00315915/step Wall: 1380.31, 0.00315915/step, 4.00422 hours remaining, 233.316406 MB of memory in use. ENERGY: 437000 3977.3164 20569.6784 14524.7566 250.7314 -202836.2498 2541.6530 0.0000 0.0000 51907.7217 -109064.3923 298.3144 -160972.1141 -108697.0100 299.3482 -266.2905 -244.2088 764684.5870 6.3610 6.1652 PRESSURE: 437200 -352.685 -88.886 25.9078 -88.8865 -390.847 -155.942 25.9083 -155.942 135.059 GPRESSURE: 437200 -349.434 -99.4032 -49.4214 -10.9985 -343.322 -158.15 -15.3427 -157.67 150.468 PRESSAVG: 437200 -23.3074 -18.0965 -22.877 -18.0965 -5.23048 14.2381 -22.877 14.2381 -11.9547 GPRESSAVG: 437200 -23.9104 -18.4448 -24.6402 -17.8008 -3.32311 13.3904 -22.8563 14.4438 -12.6863 TIMING: 437200 CPU: 1380.94, 0.00317826/step Wall: 1380.94, 0.00317826/step, 4.02827 hours remaining, 233.316406 MB of memory in use. ENERGY: 437200 4022.7278 20626.0409 14466.7170 243.4170 -203119.8482 2577.0857 0.0000 0.0000 51943.9794 -109239.8804 298.5228 -161183.8598 -108885.5064 299.0472 -202.8242 -180.7629 764882.9685 -13.4975 -13.3066 PRESSURE: 437400 152.408 -48.6105 -17.8079 -48.6095 91.7677 -9.10173 -17.8077 -9.10133 -304.349 GPRESSURE: 437400 116.088 48.933 -83.3838 66.5574 176.129 -107.155 -111.984 -66.9993 -272.699 PRESSAVG: 437400 -7.37866 15.3407 15.2074 15.3406 39.9094 14.4581 15.2074 14.4581 9.84147 GPRESSAVG: 437400 -6.58064 16.415 15.9712 16.113 38.1645 14.1144 16.8061 14.2504 11.3215 TIMING: 437400 CPU: 1381.58, 0.00317837/step Wall: 1381.58, 0.00317837/step, 4.02823 hours remaining, 233.316406 MB of memory in use. ENERGY: 437400 4007.2746 20708.8519 14491.9572 241.5554 -203403.2696 2710.2331 0.0000 0.0000 52106.7388 -109136.6586 299.4581 -161243.3974 -108781.4612 299.1361 -20.0577 6.5062 763334.4915 14.1241 14.3018 PRESSURE: 437600 -187.333 -239.459 -196.835 -239.459 -87.674 215.436 -196.835 215.436 -180.958 GPRESSURE: 437600 -106.742 -224.043 -216.376 -127.809 -78.4964 272.591 -281.773 64.0364 -173.788 PRESSAVG: 437600 -25.1288 -3.45436 -21.7421 -3.45435 53.9988 6.98656 -21.742 6.98646 -11.0613 GPRESSAVG: 437600 -24.8193 -4.2352 -21.2445 -5.4971 54.0714 7.13153 -24.7201 6.43258 -11.3161 TIMING: 437600 CPU: 1382.22, 0.0031983/step Wall: 1382.22, 0.0031983/step, 4.05331 hours remaining, 233.328125 MB of memory in use. ENERGY: 437600 4000.7628 20512.8019 14472.3034 246.6146 -203140.5090 2810.6703 0.0000 0.0000 52138.9596 -108958.3964 299.6433 -161097.3560 -108592.8206 299.3851 -151.9883 -119.6755 764458.0748 5.9362 5.9787 PRESSURE: 437800 84.448 -61.599 102.418 -61.599 -100.78 -194.186 102.418 -194.187 -61.9783 GPRESSURE: 437800 84.9843 -47.49 53.5598 -110.471 -32.8855 -227.414 210.259 -133.943 -41.7553 PRESSAVG: 437800 -0.448205 4.25985 0.72156 4.25986 14.5391 -36.974 0.721593 -36.974 -6.85051 GPRESSAVG: 437800 -0.558187 2.34213 0.310584 6.61827 14.5886 -36.1386 0.298748 -37.1635 -6.30039 TIMING: 437800 CPU: 1382.86, 0.00318185/step Wall: 1382.86, 0.00318185/step, 4.03229 hours remaining, 233.328125 MB of memory in use. ENERGY: 437800 3934.0915 20462.8873 14515.6491 248.7111 -203275.9885 2726.6534 0.0000 0.0000 52287.3583 -109100.6377 300.4962 -161387.9960 -108733.2599 299.5706 -26.1035 3.4478 762716.7166 2.4135 2.5767 PRESSURE: 438000 -315.462 -47.4128 -94.7221 -47.4126 -75.5261 8.12232 -94.7217 8.12395 -5.05786 GPRESSURE: 438000 -199.498 -13.7789 -31.8545 23.6313 -71.4385 49.8042 -224.091 -82.0769 -43.5108 PRESSAVG: 438000 28.9396 17.8255 -50.2738 17.8255 -20.3384 -38.6233 -50.2738 -38.6233 2.78185 GPRESSAVG: 438000 28.0078 19.9649 -48.2454 15.6173 -19.0436 -38.6181 -50.717 -36.1292 3.09585 TIMING: 438000 CPU: 1383.49, 0.00317857/step Wall: 1383.49, 0.00317857/step, 4.02796 hours remaining, 233.328125 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: 438000 4046.9742 20769.5588 14521.8145 260.3160 -203343.4689 2728.6338 0.0000 0.0000 52162.1717 -108853.9999 299.7767 -161016.1716 -108511.0067 300.0084 -132.0153 -104.8159 763821.2963 3.7944 4.0200 PRESSURE: 438200 141.117 168.621 -101.544 168.621 85.3303 17.9738 -101.544 17.9733 90.9032 GPRESSURE: 438200 118.814 60.5691 -195.147 63.6507 187.487 92.3535 -33.1911 32.4799 87.169 PRESSAVG: 438200 -3.81217 -13.59 17.4209 -13.5901 -5.66759 -22.4447 17.4209 -22.4447 -28.9893 GPRESSAVG: 438200 -4.38725 -13.5127 14.0931 -12.5549 -6.24883 -23.4531 19.4432 -24.4485 -27.8153 TIMING: 438200 CPU: 1384.13, 0.0031705/step Wall: 1384.13, 0.0031705/step, 4.01755 hours remaining, 233.328125 MB of memory in use. ENERGY: 438200 3959.4250 20532.7197 14438.2464 250.2636 -203028.9631 2728.7540 0.0000 0.0000 52102.3463 -109017.2082 299.4329 -161119.5544 -108648.0375 299.6808 105.7836 131.1566 763255.8698 -12.8230 -12.8171 PRESSURE: 438400 325.925 -49.1542 69.3984 -49.1539 -71.3558 218.875 69.3986 218.874 -105.111 GPRESSURE: 438400 348.285 -57.2741 133.101 -132.014 -6.8813 268.275 92.5417 74.7127 -106.333 PRESSAVG: 438400 -9.93257 -1.5374 55.8713 -1.5374 2.23265 5.75656 55.8713 5.75654 0.407736 GPRESSAVG: 438400 -8.99433 -2.30393 57.5482 -2.90433 1.42869 7.26768 54.4506 6.73107 0.637881 TIMING: 438400 CPU: 1384.76, 0.00318152/step Wall: 1384.76, 0.00318152/step, 4.03134 hours remaining, 233.328125 MB of memory in use. ENERGY: 438400 3920.9519 20635.8400 14465.0578 263.7326 -203058.2050 2848.6030 0.0000 0.0000 51903.6783 -109020.3414 298.2912 -160924.0197 -108660.1379 299.3595 49.8194 78.3570 764647.7865 -2.4307 -2.3093 PRESSURE: 438600 247.398 32.7682 53.6501 32.769 25.1051 -17.3744 53.6494 -17.3739 -35.7463 GPRESSURE: 438600 308.166 -75.8384 -29.5312 -2.87359 71.5786 -22.9808 211.305 -29.1857 -49.9867 PRESSAVG: 438600 4.72883 -57.4987 10.6973 -57.4987 -18.0366 17.0081 10.6973 17.0083 -1.78753 GPRESSAVG: 438600 3.21772 -57.8737 9.83082 -56.1784 -16.1142 16.0475 14.4619 14.7292 -2.37719 TIMING: 438600 CPU: 1385.39, 0.00315615/step Wall: 1385.39, 0.00315615/step, 3.99902 hours remaining, 233.328125 MB of memory in use. ENERGY: 438600 3975.1850 20679.4610 14483.6644 251.1824 -203094.8856 2601.3001 0.0000 0.0000 52024.3777 -109079.7150 298.9848 -161104.0927 -108706.3293 299.4166 78.9189 109.9193 764474.7776 -5.0318 -5.0912 PRESSURE: 438800 -237.448 92.5804 15.3893 92.5807 119.893 -58.6484 15.3891 -58.6501 -118.635 GPRESSURE: 438800 -176.099 55.7523 82.4306 152.439 134.353 22.1108 -10.9504 -103.409 -123.915 PRESSAVG: 438800 -54.5284 -1.18619 -8.17952 -1.18611 24.1367 23.1751 -8.17948 23.1751 5.22889 GPRESSAVG: 438800 -54.4683 -0.866985 -7.86022 1.42202 23.4694 26.2985 -11.4121 23.1319 6.25269 TIMING: 438800 CPU: 1386.03, 0.00316227/step Wall: 1386.03, 0.00316227/step, 4.0066 hours remaining, 233.328125 MB of memory in use. ENERGY: 438800 4047.3772 20571.2700 14457.6431 288.7126 -203381.3871 2715.3558 0.0000 0.0000 52315.1499 -108985.8785 300.6559 -161301.0284 -108626.0250 299.4206 -78.7298 -55.2205 762887.5865 -8.3876 -8.2487 PRESSURE: 439000 -81.3488 -153.995 -123.744 -153.994 446.252 -124.661 -123.744 -124.663 194.001 GPRESSURE: 439000 140.447 -248.114 -175.951 -8.0599 364.978 -291.281 -98.315 -92.566 133.759 PRESSAVG: 439000 -1.36502 -33.8426 -2.46308 -33.8426 -2.02373 29.2356 -2.46315 29.2356 12.2221 GPRESSAVG: 439000 0.113911 -33.8568 -2.94374 -33.7851 -2.25025 27.542 -1.19305 30.5039 10.8496 TIMING: 439000 CPU: 1386.66, 0.0031765/step Wall: 1386.66, 0.0031765/step, 4.02446 hours remaining, 233.328125 MB of memory in use. ENERGY: 439000 3938.6060 20475.9613 14453.6206 266.8528 -203319.7255 2723.9345 0.0000 0.0000 52339.5239 -109121.2264 300.7960 -161460.7503 -108745.5370 300.1084 186.3014 213.0613 763242.0455 2.9445 2.9044 PRESSURE: 439200 -529.302 -142.825 69.0185 -142.825 -360.956 -17.915 69.0185 -17.916 -424.681 GPRESSURE: 439200 -497.567 -136.5 100.794 -151.523 -293.463 -3.20549 87.9783 68.338 -447.583 PRESSAVG: 439200 -9.42963 -63.9475 -7.71237 -63.9475 19.0759 1.95149 -7.71234 1.95152 5.81409 GPRESSAVG: 439200 -9.06371 -62.8795 -7.73042 -66.4204 19.1007 0.59015 -9.04889 2.21367 5.54427 TIMING: 439200 CPU: 1387.29, 0.00316695/step Wall: 1387.29, 0.00316695/step, 4.01218 hours remaining, 233.328125 MB of memory in use. ENERGY: 439200 4018.8690 20715.9981 14443.7931 275.6575 -202781.2957 2371.2844 0.0000 0.0000 51950.7679 -109004.9255 298.5618 -160955.6934 -108646.8867 299.4254 -438.3131 -412.8710 763143.1929 5.1534 5.1938 PRESSURE: 439400 160.719 -169.007 42.5875 -169.006 -191.235 -140.029 42.5875 -140.029 -138.894 GPRESSURE: 439400 129.437 -206.639 39.3805 -141.202 -142.545 -148.825 42.2274 -103.972 -73.4326 PRESSAVG: 439400 12.1015 35.92 12.1035 35.92 -31.4108 20.4242 12.1035 20.4241 5.37701 GPRESSAVG: 439400 10.2015 34.2964 13.4912 38.9479 -31.6735 21.1845 12.5504 21.05 7.04467 TIMING: 439400 CPU: 1387.93, 0.00316089/step Wall: 1387.93, 0.00316089/step, 4.00432 hours remaining, 233.328125 MB of memory in use. ENERGY: 439400 3987.8564 20540.9685 14507.0316 236.4447 -203194.0119 2628.9275 0.0000 0.0000 52123.7541 -109169.0292 299.5559 -161292.7833 -108813.9686 299.5921 -56.4702 -28.8468 762126.9299 -4.6441 -4.8091 PRESSURE: 439600 -324.006 107.678 70.8496 107.679 -91.4679 -158.044 70.85 -158.044 -415.077 GPRESSURE: 439600 -242.021 20.5189 -62.7761 49.1704 -66.891 -191.63 79.4754 -92.0436 -443.851 PRESSAVG: 439600 23.2162 -15.4799 -57.4733 -15.4799 -22.6863 -6.83541 -57.4734 -6.83535 13.7034 GPRESSAVG: 439600 24.1844 -13.6587 -59.1323 -18.9314 -22.6997 -5.57305 -58.4199 -7.19089 12.8668 TIMING: 439600 CPU: 1388.56, 0.00315725/step Wall: 1388.56, 0.00315725/step, 3.99953 hours remaining, 233.328125 MB of memory in use. ENERGY: 439600 4051.2553 20537.7212 14542.8033 246.0971 -203103.6779 2774.9970 0.0000 0.0000 51774.4888 -109176.3153 297.5487 -160950.8041 -108810.8019 299.2505 -276.8503 -250.9209 764084.2444 4.7445 4.7838 PRESSURE: 439800 -30.4673 -234.795 39.3827 -234.796 -122.066 27.6227 39.3833 27.622 -273.985 GPRESSURE: 439800 -37.088 -99.3231 -7.17081 -218.112 -55.948 23.9195 143.847 -102.132 -248.561 PRESSAVG: 439800 41.5587 -36.9979 14.58 -36.9979 -29.2111 4.67337 14.58 4.6734 -15.7908 GPRESSAVG: 439800 41.1125 -37.4108 15.8444 -35.3884 -28.8633 4.02087 14.5999 3.8894 -15.6477 TIMING: 439800 CPU: 1389.19, 0.00316615/step Wall: 1389.19, 0.00316615/step, 4.01064 hours remaining, 233.328125 MB of memory in use. ENERGY: 439800 3922.1205 20737.5635 14516.0106 242.3738 -203016.0235 2529.2317 0.0000 0.0000 51912.2274 -109156.4962 298.3403 -161068.7236 -108796.6830 298.9286 -142.1729 -113.8658 762862.3060 -1.1477 -1.1328 PRESSURE: 440000 -111.771 -32.8338 158.83 -32.8346 181.816 -138.085 158.83 -138.086 350.935 GPRESSURE: 440000 -34.7321 -45.4638 180.186 148.082 146.397 -67.0074 43.8301 -157.707 384.828 PRESSAVG: 440000 72.7716 -22.4465 5.43043 -22.4465 -20.4888 -17.6188 5.43043 -17.6189 -3.81196 GPRESSAVG: 440000 72.6121 -22.7303 5.29182 -20.8201 -20.5357 -19.1386 5.48345 -17.3215 -4.34249 TIMING: 440000 CPU: 1389.82, 0.00316622/step Wall: 1389.82, 0.00316622/step, 4.01054 hours remaining, 233.328125 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: 440000 4024.7158 20508.7851 14454.0167 261.7698 -203427.7311 2861.8858 0.0000 0.0000 51881.5479 -109435.0100 298.1640 -161316.5578 -109077.3241 298.6381 140.3267 165.4976 764235.6467 16.1569 15.9113 PRESSURE: 440200 94.046 -159.253 137.698 -159.253 74.39 -156.452 137.698 -156.45 193.234 GPRESSURE: 440200 136.198 -119.98 159.597 -143.427 160.443 -48.0946 140.08 -143.246 166.918 PRESSAVG: 440200 -11.8121 39.6114 30.4664 39.6113 -63.5718 10.689 30.4665 10.689 17.2989 GPRESSAVG: 440200 -12.2755 39.9246 29.2427 39.6695 -63.5822 12.6884 31.4367 8.60122 17.3996 TIMING: 440200 CPU: 1390.46, 0.0031639/step Wall: 1390.46, 0.0031639/step, 4.00743 hours remaining, 233.316406 MB of memory in use. ENERGY: 440200 4029.1069 20380.5149 14488.3250 222.5806 -203318.1157 2894.6413 0.0000 0.0000 51927.1444 -109375.8025 298.4260 -161302.9469 -109012.9474 298.5813 120.5565 154.5196 762771.2740 -19.3617 -19.4860 LDB: ============= START OF LOAD BALANCING ============== 1402.99 LDB: ============== END OF LOAD BALANCING =============== 1402.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1402.99 LDB: ============= START OF LOAD BALANCING ============== 1403.31 LDB: Largest compute 7069 load 0.034955 is 17.9% of average load 0.195217 LDB: Average compute 0.004398 is 2.3% of average load 0.195217 LDB: TIME 1403.31 LOAD: AVG 0.195217 MAX 0.223049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.367 MB LDB: TIME 1403.31 LOAD: AVG 0.195217 MAX 0.223049 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.57 MB LDB: TIME 1403.31 LOAD: AVG 0.195217 MAX 0.217626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.57 MB LDB: ============== END OF LOAD BALANCING =============== 1403.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1403.32 PRESSURE: 440400 57.9066 104.978 -141.184 104.977 -196.574 223.413 -141.183 223.413 172.888 GPRESSURE: 440400 -33.5083 133.839 -148.707 94.55 -12.449 153.92 -81.0056 165.303 154.208 PRESSAVG: 440400 23.055 -18.5268 23.1563 -18.5268 13.8471 13.656 23.1562 13.6561 -20.8999 GPRESSAVG: 440400 23.8568 -17.6983 24.9106 -20.1059 13.6781 12.377 22.515 16.0868 -20.7351 TIMING: 440400 CPU: 1391.1, 0.00323353/step Wall: 1391.1, 0.00323353/step, 4.09544 hours remaining, 232.867188 MB of memory in use. ENERGY: 440400 3987.0434 20474.2695 14451.5927 246.4343 -203233.6978 2870.4583 0.0000 0.0000 52134.5071 -109069.3925 299.6177 -161203.8996 -108693.2889 299.2550 11.4067 36.0836 763288.6223 5.3341 5.5999 PRESSURE: 440600 -166.342 -137.117 -277.772 -137.117 -18.5814 71.4295 -277.773 71.4307 -70.1 GPRESSURE: 440600 -87.2117 61.3939 -238.13 -79.0081 -27.8281 146.894 -292.18 -4.55269 -44.9702 PRESSAVG: 440600 37.9584 14.2872 35.7737 14.2872 -34.7409 42.8785 35.7737 42.8785 -12.8754 GPRESSAVG: 440600 38.0163 15.0282 33.6038 16.125 -34.3556 42.6237 35.6649 43.1627 -13.1279 TIMING: 440600 CPU: 1391.73, 0.00315737/step Wall: 1391.73, 0.00315737/step, 3.9988 hours remaining, 233.070312 MB of memory in use. ENERGY: 440600 4017.8332 20715.1197 14515.9877 255.0317 -203224.0160 2728.7337 0.0000 0.0000 52056.1851 -108935.1249 299.1676 -160991.3100 -108583.8956 299.5635 -85.0079 -53.3367 762821.8020 -3.2193 -3.1558 PRESSURE: 440800 9.84869 229.388 -118.839 229.388 -3.1025 57.702 -118.838 57.7023 -366.348 GPRESSURE: 440800 77.8482 240.753 -153.326 153.376 73.257 -31.9099 69.146 84.6135 -428.355 PRESSAVG: 440800 12.3496 -46.6741 44.6148 -46.6742 -31.1807 -39.4835 44.6149 -39.4835 -16.691 GPRESSAVG: 440800 12.5899 -49.2368 44.8408 -45.1713 -31.6865 -40.1525 46.5725 -40.8202 -16.3741 TIMING: 440800 CPU: 1392.37, 0.00316905/step Wall: 1392.37, 0.00316905/step, 4.01342 hours remaining, 233.070312 MB of memory in use. ENERGY: 440800 4051.6791 20581.2166 14486.6333 232.3158 -203419.5705 2918.0888 0.0000 0.0000 52231.4607 -108918.1761 300.1749 -161149.6369 -108556.5038 299.6488 -119.8671 -92.4166 762583.6402 -11.8407 -11.8236 PRESSURE: 441000 260.731 69.9595 48.5608 69.9601 -253.861 -14.0639 48.5621 -14.0642 -359.678 GPRESSURE: 441000 239.468 71.715 69.8562 23.9352 -160.999 -89.1324 21.5085 19.7963 -331.743 PRESSAVG: 441000 75.5807 -19.4227 -24.9953 -19.4228 -54.4514 -9.24551 -24.9953 -9.2455 -3.17327 GPRESSAVG: 441000 74.0511 -17.2653 -24.9339 -21.6647 -53.4149 -9.52483 -25.7908 -7.83088 -2.80012 TIMING: 441000 CPU: 1393.01, 0.00318903/step Wall: 1393.01, 0.00318903/step, 4.03855 hours remaining, 233.070312 MB of memory in use. ENERGY: 441000 4011.2455 20464.5985 14481.5509 258.4386 -202694.7303 2392.8530 0.0000 0.0000 52183.0729 -108902.9710 299.8968 -161086.0439 -108538.2406 299.8997 -117.6025 -84.4245 763024.3517 5.9853 5.9454 PRESSURE: 441200 -496.345 37.0511 -46.5643 37.0508 -624.751 47.671 -46.5638 47.6705 59.0053 GPRESSURE: 441200 -389.66 117.96 -1.00025 71.3658 -614.91 76.7636 -7.41188 -34.8215 33.1191 PRESSAVG: 441200 17.7074 -0.933273 38.4368 -0.933337 7.4928 -36.4492 38.4368 -36.4491 -2.91062 GPRESSAVG: 441200 19.2014 -2.25552 39.8802 -0.909678 7.65488 -37.0182 37.7595 -37.0893 -3.71226 TIMING: 441200 CPU: 1393.65, 0.00319469/step Wall: 1393.65, 0.00319469/step, 4.04554 hours remaining, 233.070312 MB of memory in use. ENERGY: 441200 4018.4135 20699.0856 14550.1789 263.0417 -202746.8875 2393.1792 0.0000 0.0000 52111.2875 -108711.7011 299.4843 -160822.9886 -108351.5178 300.0106 -354.0302 -323.8170 764134.5339 7.4299 7.7147 PRESSURE: 441400 -344.159 -157.919 194.55 -157.919 -272.404 86.7873 194.55 86.7868 -469.6 GPRESSURE: 441400 -287.86 -66.3746 228.606 -96.5974 -341.26 84.4716 209.768 -7.67693 -404.115 PRESSAVG: 441400 45.0042 -4.73849 -20.1413 -4.73843 14.1276 -23.6879 -20.1413 -23.6879 0.459826 GPRESSAVG: 441400 43.8241 -3.3692 -20.428 -4.28583 13.2749 -21.1835 -19.3824 -24.4896 1.98465 TIMING: 441400 CPU: 1394.28, 0.00317619/step Wall: 1394.28, 0.00317619/step, 4.02194 hours remaining, 233.070312 MB of memory in use. ENERGY: 441400 4029.7898 20563.8516 14427.1490 275.0801 -202778.3669 2566.0038 0.0000 0.0000 51989.0984 -108927.3942 298.7821 -160916.4927 -108570.1650 300.1145 -362.0544 -344.4114 765400.9173 19.8639 19.6946 PRESSURE: 441600 43.0006 102.06 -123.659 102.06 -324.876 74.2429 -123.658 74.243 -118.362 GPRESSURE: 441600 41.7152 221.151 -132.159 89.0479 -181.974 5.35587 -107.706 60.114 -193.53 PRESSAVG: 441600 5.87408 4.67379 -22.709 4.67378 -30.0198 -11.5122 -22.709 -11.5123 -34.8884 GPRESSAVG: 441600 5.74255 5.40608 -23.068 4.0253 -29.4926 -13.3823 -24.4856 -8.21964 -35.3901 TIMING: 441600 CPU: 1394.92, 0.00318313/step Wall: 1394.92, 0.00318313/step, 4.03055 hours remaining, 233.070312 MB of memory in use. ENERGY: 441600 3962.8659 20629.0856 14537.0841 271.6448 -203154.0692 2713.5081 0.0000 0.0000 52168.4116 -108871.4691 299.8126 -161039.8806 -108505.4091 299.8909 -133.4125 -111.2629 763768.2129 -19.6780 -19.7134 PRESSURE: 441800 -265.452 -143.095 299.348 -143.095 -226.064 34.1202 299.348 34.1211 -192.251 GPRESSURE: 441800 -228.132 -193.508 281.749 -160.603 -174.847 70.9439 223.397 113.379 -189.003 PRESSAVG: 441800 -9.785 11.5916 -0.97368 11.5916 7.59499 -13.6736 -0.973655 -13.6736 6.42224 GPRESSAVG: 441800 -8.00642 11.7121 -2.56002 10.991 6.56418 -14.1354 0.732011 -14.9545 5.3416 TIMING: 441800 CPU: 1395.55, 0.00316439/step Wall: 1395.55, 0.00316439/step, 4.00665 hours remaining, 233.070312 MB of memory in use. ENERGY: 441800 4047.4615 20564.4465 14638.9582 259.6505 -203086.4951 2542.4486 0.0000 0.0000 52119.6279 -108913.9018 299.5322 -161033.5298 -108562.5135 299.8513 -227.9222 -197.3275 763401.6135 1.4107 1.2998 PRESSURE: 442000 97.176 31.0524 86.574 31.0531 -165.521 31.0364 86.574 31.0365 -176.444 GPRESSURE: 442000 46.8931 24.5322 81.393 168.774 -33.9969 57.7232 75.0978 61.0108 -175.661 PRESSAVG: 442000 3.01924 -30.4015 68.2151 -30.4015 3.00913 -19.4042 68.2151 -19.4043 13.3138 GPRESSAVG: 442000 2.018 -34.1523 67.9121 -27.3508 4.2452 -17.7324 67.9766 -19.9676 13.3638 TIMING: 442000 CPU: 1396.19, 0.00317813/step Wall: 1396.19, 0.00317813/step, 4.02387 hours remaining, 233.070312 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: 442000 3964.2473 20481.9198 14507.2191 240.7590 -203053.1179 2507.2206 0.0000 0.0000 52228.6510 -109123.1011 300.1588 -161351.7521 -108753.1110 299.4563 -81.5963 -54.2548 763022.6072 6.4474 6.5423 PRESSURE: 442200 -80.3841 168.903 113.203 168.902 81.194 5.66508 113.204 5.66548 464.242 GPRESSURE: 442200 20.596 11.2659 158.622 -9.56126 29.1036 -2.1973 78.2376 -86.3612 487.459 PRESSAVG: 442200 -16.1757 -9.87876 34.8514 -9.87865 42.6531 35.7765 34.8514 35.7765 -15.9878 GPRESSAVG: 442200 -16.9395 -8.46587 36.0637 -12.5795 42.2745 33.9799 35.3327 36.3721 -15.1051 TIMING: 442200 CPU: 1396.82, 0.00316006/step Wall: 1396.82, 0.00316006/step, 4.00081 hours remaining, 233.070312 MB of memory in use. ENERGY: 442200 3961.2382 20387.0071 14469.0429 234.3348 -203100.4575 2808.5951 0.0000 0.0000 52091.0984 -109149.1411 299.3683 -161240.2395 -108791.4754 299.5775 155.0175 179.0527 763546.4816 3.4965 3.4100 PRESSURE: 442400 -44.7891 -123.454 23.6637 -123.454 122.577 122.92 23.6641 122.92 26.5308 GPRESSURE: 442400 -39.8214 -168.649 -79.8842 -50.1208 221.059 39.7377 48.566 197.522 -6.12466 PRESSAVG: 442400 14.786 -10.8168 68.3622 -10.8168 -7.56185 7.64297 68.3622 7.64291 -3.81406 GPRESSAVG: 442400 13.2247 -10.745 68.0555 -9.65112 -6.47685 9.63864 69.8133 4.84126 -3.41975 TIMING: 442400 CPU: 1397.45, 0.00317362/step Wall: 1397.45, 0.00317362/step, 4.0178 hours remaining, 233.070312 MB of memory in use. ENERGY: 442400 3898.5068 20772.7189 14568.4285 255.2788 -203080.6544 2471.9274 0.0000 0.0000 52128.4115 -108985.3824 299.5827 -161113.7940 -108629.7693 299.3672 34.7729 58.3711 763297.2877 1.1367 1.1094 PRESSURE: 442600 -377.434 85.789 -251.124 85.7903 55.8582 29.4456 -251.125 29.4451 -309.487 GPRESSURE: 442600 -287.097 -58.726 -139.824 37.5083 -58.5821 100.889 -224.957 11.8593 -215.413 PRESSAVG: 442600 -54.2418 -37.7227 27.5374 -37.7227 15.7434 21.6311 27.5375 21.6311 -3.12862 GPRESSAVG: 442600 -52.4031 -39.2584 27.8739 -38.569 14.0636 19.7397 25.597 22.6135 -3.4424 TIMING: 442600 CPU: 1398.09, 0.00317915/step Wall: 1398.09, 0.00317915/step, 4.02463 hours remaining, 233.070312 MB of memory in use. ENERGY: 442600 4006.9090 20518.7106 14531.2831 252.6929 -203072.1011 2589.1728 0.0000 0.0000 52138.1115 -109035.2211 299.6384 -161173.3326 -108661.4921 299.2336 -210.3545 -187.0309 765328.7796 -13.8757 -13.9273 PRESSURE: 442800 -154.403 -268.426 1.82024 -268.426 138.562 115.073 1.82039 115.072 -326.213 GPRESSURE: 442800 -66.9966 -237.353 7.47386 -295.759 176.039 137.546 -76.2897 132.335 -340.691 PRESSAVG: 442800 0.967345 -38.5452 -17.7361 -38.5452 -17.6542 -3.96448 -17.7361 -3.96446 -19.4957 GPRESSAVG: 442800 0.359826 -37.006 -19.0441 -38.4412 -16.7664 -3.91187 -18.2867 -5.23662 -19.7661 TIMING: 442800 CPU: 1398.72, 0.00317203/step Wall: 1398.72, 0.00317203/step, 4.01544 hours remaining, 233.070312 MB of memory in use. ENERGY: 442800 3999.2987 20399.6262 14596.4518 247.6367 -202894.5492 2682.9355 0.0000 0.0000 52083.8252 -108884.7750 299.3265 -160968.6003 -108523.1280 299.6494 -114.0180 -77.2165 763930.1047 -12.0609 -12.0575 PRESSURE: 443000 17.613 -154.109 164.104 -154.109 140.105 -151.887 164.104 -151.886 17.0619 GPRESSURE: 443000 22.1825 -146.475 149.781 -188.144 228.454 -91.6044 160.862 3.93809 38.3596 PRESSAVG: 443000 -19.4423 -9.63054 1.4546 -9.63055 3.2005 3.12581 1.45463 3.12571 15.2695 GPRESSAVG: 443000 -19.1237 -8.94224 3.02464 -9.39075 3.95982 3.91091 2.96101 6.93414 13.7521 TIMING: 443000 CPU: 1399.36, 0.00316187/step Wall: 1399.36, 0.00316187/step, 4.0024 hours remaining, 233.070312 MB of memory in use. ENERGY: 443000 4029.6870 20598.7116 14506.3684 265.0485 -203199.9133 2839.4794 0.0000 0.0000 52072.2865 -108888.3319 299.2601 -160960.6184 -108532.9004 299.8945 58.2599 96.3321 764435.7369 -0.3241 -0.4706 PRESSURE: 443200 -261.641 -70.7516 -86.3525 -70.7511 60.4645 -100.233 -86.3517 -100.232 95.9815 GPRESSURE: 443200 -391.336 -65.6583 -101.236 -119.221 134.514 -248.636 49.2957 -60.7229 236.086 PRESSAVG: 443200 -88.8222 -9.53177 39.5941 -9.5318 62.015 5.05755 39.5941 5.05757 -14.3163 GPRESSAVG: 443200 -89.9806 -10.0228 36.7013 -11.367 61.0192 4.71801 39.9267 4.04878 -12.1489 TIMING: 443200 CPU: 1399.98, 0.00313682/step Wall: 1399.98, 0.00313682/step, 3.97052 hours remaining, 233.070312 MB of memory in use. ENERGY: 443200 3987.0520 20628.9618 14509.0268 217.3842 -203005.1957 2716.6987 0.0000 0.0000 52031.4196 -108914.6526 299.0253 -160946.0722 -108558.6274 299.8059 -35.0649 -6.9120 763358.3692 -13.7078 -13.7034 PRESSURE: 443400 -100.525 -76.6474 -104.422 -76.6479 -93.7295 -46.2133 -104.422 -46.2134 -223.821 GPRESSURE: 443400 -55.0611 -29.8228 -25.6945 -150.491 -14.0896 -77.197 -1.82389 -57.2316 -276.197 PRESSAVG: 443400 20.5097 20.8765 21.2619 20.8765 -15.333 -34.2852 21.2619 -34.2853 16.6408 GPRESSAVG: 443400 21.6738 20.4429 24.4889 21.9205 -15.1016 -34.5006 19.6907 -35.9342 15.0448 TIMING: 443400 CPU: 1400.61, 0.00314167/step Wall: 1400.61, 0.00314167/step, 3.97648 hours remaining, 233.070312 MB of memory in use. ENERGY: 443400 4026.3602 20588.2169 14523.4868 256.0670 -203149.4177 2695.1699 0.0000 0.0000 52055.6308 -109004.4860 299.1644 -161060.1169 -108649.8595 299.5957 -139.3584 -115.1160 763379.9089 7.2725 7.2057 PRESSURE: 443600 111.228 -56.2965 -127.326 -56.2963 102.558 -86.8254 -127.326 -86.8246 -60.1983 GPRESSURE: 443600 126.716 -51.159 -50.8655 -49.2186 138.675 -68.065 -198.494 -115.468 -26.0974 PRESSAVG: 443600 -31.6225 -44.6554 -55.4512 -44.6554 65.3311 -48.7163 -55.4511 -48.7162 -18.6745 GPRESSAVG: 443600 -31.9879 -45.8026 -55.2998 -45.602 65.8188 -48.3179 -54.4729 -48.3847 -18.4009 TIMING: 443600 CPU: 1401.24, 0.00316871/step Wall: 1401.24, 0.00316871/step, 4.01053 hours remaining, 233.070312 MB of memory in use. ENERGY: 443600 4006.3261 20491.8777 14464.1010 252.0166 -203435.8721 2810.6223 0.0000 0.0000 52403.3379 -109007.5904 301.1627 -161410.9284 -108639.8086 299.2436 51.1956 79.7645 761607.5059 5.0114 5.1433 PRESSURE: 443800 -78.6654 202.915 198.01 202.915 -428.039 -72.8409 198.01 -72.8401 -216.396 GPRESSURE: 443800 -102.093 250.058 119.564 132.398 -409.561 -110.074 156.225 -116.709 -118.449 PRESSAVG: 443800 -27.9427 29.6268 9.96595 29.6268 17.6486 -52.2403 9.96598 -52.2403 -32.0732 GPRESSAVG: 443800 -26.998 31.3238 9.20794 30.1532 17.1678 -52.7873 9.98938 -51.8432 -32.6783 TIMING: 443800 CPU: 1401.88, 0.00316615/step Wall: 1401.88, 0.00316615/step, 4.00711 hours remaining, 233.070312 MB of memory in use. ENERGY: 443800 4004.6498 20495.5153 14577.3628 255.5853 -202594.4101 2383.6554 0.0000 0.0000 52072.1414 -108805.5001 299.2593 -160877.6415 -108440.1367 299.4672 -241.0336 -210.0342 764477.0744 -14.1224 -14.1695 PRESSURE: 444000 -195.366 -12.2254 1.89814 -12.2255 135.149 -158.641 1.89676 -158.64 -314.536 GPRESSURE: 444000 -178.986 -11.1663 72.6857 3.58909 142.795 -183.894 -113.706 -162.016 -256.975 PRESSAVG: 444000 -13.4391 -13.0072 -8.78085 -13.0073 40.5352 -9.63503 -8.78085 -9.63496 -7.94247 GPRESSAVG: 444000 -14.4165 -14.0465 -10.4028 -12.4612 40.4244 -8.91606 -8.08499 -10.506 -7.1986 TIMING: 444000 CPU: 1402.51, 0.0031399/step Wall: 1402.51, 0.0031399/step, 3.97372 hours remaining, 233.070312 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: 444000 3998.9935 20501.4728 14525.2954 255.5282 -203310.1011 3022.3260 0.0000 0.0000 52286.5026 -108719.9825 300.4912 -161006.4851 -108354.3235 299.9920 -124.9179 -97.7217 763627.4490 6.3846 6.2698 PRESSURE: 444200 4.24114 -100.309 -208.655 -100.309 -77.2364 -265.397 -208.655 -265.397 60.8234 GPRESSURE: 444200 73.4673 -28.6886 -210.178 -23.203 -89.9204 -204.469 -27.9927 -271.488 91.2764 PRESSAVG: 444200 41.3761 5.89004 6.01062 5.88997 -45.9974 -2.90173 6.0106 -2.90174 -12.9445 GPRESSAVG: 444200 41.9266 7.59106 6.43792 3.90323 -46.2718 -2.38045 8.39088 -2.52336 -12.7129 TIMING: 444200 CPU: 1403.14, 0.00314736/step Wall: 1403.14, 0.00314736/step, 3.98298 hours remaining, 233.070312 MB of memory in use. ENERGY: 444200 3960.5004 20333.6864 14526.7410 245.4960 -202914.1731 2695.8981 0.0000 0.0000 52339.4636 -108812.3875 300.7956 -161151.8511 -108438.0348 300.2044 -4.0573 24.9411 763523.1926 -5.8553 -5.6861 LDB: ============= START OF LOAD BALANCING ============== 1415.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1415.67 LDB: =============== DONE WITH MIGRATION ================ 1415.67 LDB: ============= START OF LOAD BALANCING ============== 1415.99 LDB: Largest compute 7060 load 0.032579 is 16.7% of average load 0.195099 LDB: Average compute 0.004406 is 2.3% of average load 0.195099 LDB: TIME 1415.99 LOAD: AVG 0.195099 MAX 0.214221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.898 MB LDB: TIME 1415.99 LOAD: AVG 0.195099 MAX 0.214221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.969 MB LDB: TIME 1415.99 LOAD: AVG 0.195099 MAX 0.214221 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.969 MB LDB: ============== END OF LOAD BALANCING =============== 1415.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1416 PRESSURE: 444400 -10.2278 121.178 68.3253 121.178 23.3565 -208.857 68.3246 -208.858 89.9248 GPRESSURE: 444400 93.6847 90.9289 -17.4319 59.6755 -47.4988 -211.514 158.959 -180.658 134.677 PRESSAVG: 444400 36.4593 -29.6258 -20.6293 -29.6258 -53.9746 -10.298 -20.6293 -10.298 -11.7315 GPRESSAVG: 444400 37.0116 -29.8597 -21.1814 -28.2103 -54.333 -10.1717 -22.4488 -8.19603 -11.9019 TIMING: 444400 CPU: 1403.78, 0.00322582/step Wall: 1403.78, 0.00322581/step, 4.08209 hours remaining, 234.148438 MB of memory in use. ENERGY: 444400 3928.2983 20545.6652 14438.4369 244.7009 -202862.4312 2417.0407 0.0000 0.0000 52202.9046 -109085.3846 300.0108 -161288.2892 -108723.8436 299.4008 34.3512 60.2877 763594.6536 -9.7489 -9.7411 PRESSURE: 444600 -61.4911 -94.8733 -27.9727 -94.8739 -94.2394 113.91 -27.973 113.91 -42.722 GPRESSURE: 444600 -48.1303 -181.079 3.61065 -188.524 -28.2569 159.961 -276.141 133.676 -29.9474 PRESSAVG: 444600 4.7555 -51.4429 27.232 -51.4429 -26.9139 16.6421 27.232 16.6422 28.8288 GPRESSAVG: 444600 4.3591 -50.7868 27.6383 -53.1676 -26.8086 16.2681 26.4972 17.4554 28.4578 TIMING: 444600 CPU: 1404.41, 0.00314844/step Wall: 1404.41, 0.00314844/step, 3.98401 hours remaining, 234.410156 MB of memory in use. ENERGY: 444600 3929.2142 20421.7270 14481.3820 268.5804 -202615.4109 2382.5128 0.0000 0.0000 52084.4987 -109047.4957 299.3303 -161131.9945 -108681.5304 299.4224 -66.1508 -35.4448 763686.6017 2.2235 2.0028 PRESSURE: 444800 -14.1753 41.316 100.858 41.3161 -54.5919 46.9557 100.858 46.9558 -334.911 GPRESSURE: 444800 5.10961 -88.0762 104.313 71.6467 -44.821 1.0793 -119.751 6.98504 -260.448 PRESSAVG: 444800 -4.33543 4.14289 -1.72459 4.14281 5.66695 33.18 -1.72459 33.18 1.5169 GPRESSAVG: 444800 -4.9389 1.91029 -2.1936 6.7339 5.80882 32.166 -1.19065 31.4569 2.49825 TIMING: 444800 CPU: 1405.04, 0.0031574/step Wall: 1405.04, 0.0031574/step, 3.99516 hours remaining, 234.410156 MB of memory in use. ENERGY: 444800 3908.7364 20600.6544 14490.5846 259.5350 -202796.1549 2416.9625 0.0000 0.0000 52171.0424 -108948.6394 299.8277 -161119.6818 -108600.2432 299.5926 -134.5594 -100.0532 764340.0121 0.9495 1.1227 PRESSURE: 445000 -50.3007 -46.9599 -45.21 -46.96 -21.5917 -206.881 -45.2098 -206.882 119.864 GPRESSURE: 445000 15.4572 28.7341 -74.5946 -27.4611 -15.6914 -238.128 44.6755 -50.8824 153.911 PRESSAVG: 445000 6.02912 16.7004 52.2829 16.7004 -29.1835 20.7683 52.2829 20.7682 34.7682 GPRESSAVG: 445000 6.27631 18.6764 56.0622 15.4148 -28.0129 19.9322 51.0159 21.2194 33.2282 TIMING: 445000 CPU: 1405.68, 0.00318189/step Wall: 1405.68, 0.00318189/step, 4.02598 hours remaining, 234.410156 MB of memory in use. ENERGY: 445000 3942.1071 20403.8129 14535.5768 244.1085 -203057.3584 2866.8422 0.0000 0.0000 52125.1613 -108939.7496 299.5640 -161064.9109 -108572.1929 299.8447 15.9904 51.2256 764859.2628 3.8713 3.8305 PRESSURE: 445200 241.243 56.7532 54.8779 56.7533 -28.1686 101.895 54.878 101.895 -225.606 GPRESSURE: 445200 208.128 44.9749 -0.932469 -67.261 31.6803 160.328 17.8586 78.9404 -179.684 PRESSAVG: 445200 19.7822 -21.451 -21.0862 -21.4509 -10.2048 37.8252 -21.0862 37.8252 -8.55669 GPRESSAVG: 445200 18.8704 -22.1278 -25.1033 -21.0256 -10.4041 39.2473 -19.1232 38.6902 -7.42175 TIMING: 445200 CPU: 1406.32, 0.00319246/step Wall: 1406.32, 0.00319246/step, 4.03917 hours remaining, 234.738281 MB of memory in use. ENERGY: 445200 3978.6508 20512.6421 14436.9321 251.5307 -202968.2737 2821.6454 0.0000 0.0000 51902.8683 -109064.0044 298.2865 -160966.8726 -108713.6425 299.5327 -4.1771 20.0414 763521.2479 0.3402 0.3482 PRESSURE: 445400 103.414 -156.414 196.007 -156.414 -198.406 193.083 196.007 193.082 -371.399 GPRESSURE: 445400 132.682 -216.226 239.519 -159.713 -215.538 249.605 92.8642 77.784 -296.204 PRESSAVG: 445400 39.3682 -58.1017 -8.8305 -58.1017 -25.8343 9.4514 -8.8305 9.45142 9.17683 GPRESSAVG: 445400 40.3521 -58.2939 -7.11284 -57.1947 -27.5579 7.51554 -11.3029 8.96337 10.219 TIMING: 445400 CPU: 1406.94, 0.00314137/step Wall: 1406.94, 0.00314137/step, 3.97435 hours remaining, 234.738281 MB of memory in use. ENERGY: 445400 4000.4573 20401.5667 14480.5200 238.7961 -202963.6681 2550.2707 0.0000 0.0000 52243.0432 -109049.0141 300.2415 -161292.0572 -108677.9103 299.6878 -155.4636 -126.3533 763720.5710 7.5702 7.6711 PRESSURE: 445600 11.2658 94.4902 -122.743 94.4897 141.778 -50.5714 -122.743 -50.5715 -137.958 GPRESSURE: 445600 37.8719 13.664 -91.171 36.8067 185.327 -75.6365 135.102 -78.539 -117.025 PRESSAVG: 445600 2.93129 20.717 -19.4362 20.717 8.36849 -13.4503 -19.4362 -13.4503 -3.91351 GPRESSAVG: 445600 3.61215 20.561 -18.4862 19.1771 8.50453 -12.7291 -16.9985 -12.0229 -4.60593 TIMING: 445600 CPU: 1407.58, 0.00315252/step Wall: 1407.58, 0.00315252/step, 3.98829 hours remaining, 234.750000 MB of memory in use. ENERGY: 445600 3935.6019 20518.0565 14463.8947 253.7304 -203189.8845 2903.5407 0.0000 0.0000 51810.2995 -109304.7608 297.7545 -161115.0603 -108954.6330 299.4239 5.0288 35.3914 763058.8552 2.4621 2.5036 PRESSURE: 445800 243.505 27.169 261.439 27.1686 -321.064 24.1131 261.439 24.1133 11.855 GPRESSURE: 445800 304.522 42.7098 227.465 6.21083 -284.335 -55.3838 -4.33535 153.439 -5.59559 PRESSAVG: 445800 31.0125 -33.5851 17.0679 -33.585 -39.1266 -59.1089 17.0679 -59.1089 -14.813 GPRESSAVG: 445800 30.2194 -32.6634 16.4053 -33.0667 -38.4785 -57.6821 15.8443 -59.9954 -14.9426 TIMING: 445800 CPU: 1408.2, 0.00313987/step Wall: 1408.2, 0.00313987/step, 3.97212 hours remaining, 234.750000 MB of memory in use. ENERGY: 445800 3983.4334 20401.5815 14491.0702 226.5577 -203177.4411 2718.7485 0.0000 0.0000 51927.8254 -109428.2243 298.4299 -161356.0497 -109070.5869 298.7278 -21.9013 4.8640 765112.6777 -7.6424 -7.7339 PRESSURE: 446000 -112.43 77.7647 -245.846 77.7659 -372.028 -11.5548 -245.845 -11.5544 9.75962 GPRESSURE: 446000 -83.6515 -6.52931 -264.203 95.9762 -356.321 7.16458 -275.153 -40.5025 56.9423 PRESSAVG: 446000 75.6408 -53.155 -19.457 -53.155 -79.9644 -26.3707 -19.4569 -26.3707 -34.7902 GPRESSAVG: 446000 75.8985 -53.1928 -19.7594 -51.8064 -80.8844 -28.0595 -19.4626 -25.5745 -33.8149 TIMING: 446000 CPU: 1408.84, 0.00316604/step Wall: 1408.84, 0.00316604/step, 4.00504 hours remaining, 234.750000 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: 446000 3949.2442 20288.1442 14537.2023 235.1597 -203068.4175 2361.7440 0.0000 0.0000 51931.4937 -109765.4294 298.4510 -161696.9231 -109400.5164 297.7868 -158.2328 -127.6769 762977.9839 -13.0379 -12.9336 PRESSURE: 446200 150.764 51.5194 204.943 51.5196 88.8928 48.5773 204.944 48.5771 49.956 GPRESSURE: 446200 163.883 15.1767 247.436 65.6104 160.141 28.0965 147.374 59.8198 29.7756 PRESSAVG: 446200 -51.346 -22.6401 33.0519 -22.6402 42.6235 8.56537 33.0518 8.5654 6.68518 GPRESSAVG: 446200 -51.0637 -23.1405 30.7482 -22.4703 44.6593 9.44791 32.2414 7.93931 4.66582 TIMING: 446200 CPU: 1409.47, 0.00314736/step Wall: 1409.47, 0.00314736/step, 3.98124 hours remaining, 234.750000 MB of memory in use. ENERGY: 446200 3940.6987 20364.4538 14485.5493 251.2776 -203411.0223 2754.8264 0.0000 0.0000 51885.8733 -109728.3434 298.1888 -161614.2167 -109356.5007 297.7447 96.5375 117.9331 763200.6621 -0.6791 -0.5795 PRESSURE: 446400 -190.181 -105.582 16.2558 -105.583 -311.944 -42.3652 16.2553 -42.364 -1.23896 GPRESSURE: 446400 -170.243 -199.619 90.218 -23.4031 -151.557 50.2714 -8.28439 -79.3786 -103.592 PRESSAVG: 446400 37.3907 -28.3897 24.1539 -28.3898 13.5724 -12.6702 24.1539 -12.6702 -14.0895 GPRESSAVG: 446400 37.5872 -28.0309 26.4926 -28.5998 12.2242 -12.6189 24.3377 -11.5485 -13.1795 TIMING: 446400 CPU: 1410.09, 0.00314334/step Wall: 1410.09, 0.00314334/step, 3.97597 hours remaining, 234.750000 MB of memory in use. ENERGY: 446400 4029.5402 20516.8585 14438.9574 245.0531 -203456.9359 2813.7104 0.0000 0.0000 51933.9772 -109478.8390 298.4653 -161412.8163 -109123.9989 297.7186 -167.7878 -141.7974 763795.5693 12.2912 12.2107 PRESSURE: 446600 -284.955 -30.7854 75.6712 -30.7847 -193.54 -158.876 75.6709 -158.876 -270.16 GPRESSURE: 446600 -291.791 30.8476 42.455 -35.9925 -128.526 -146.097 90.6509 -127.647 -235.289 PRESSAVG: 446600 -8.21598 -19.9953 30.4397 -19.9953 -25.7381 -3.49644 30.4396 -3.49643 7.35032 GPRESSAVG: 446600 -7.9247 -20.4149 27.7919 -20.3931 -26.3441 -3.28252 32.2606 -3.27621 7.78046 TIMING: 446600 CPU: 1410.73, 0.00317314/step Wall: 1410.73, 0.00317314/step, 4.01349 hours remaining, 234.750000 MB of memory in use. ENERGY: 446600 3957.1734 20455.3392 14469.0173 256.2229 -203330.0390 2804.4789 0.0000 0.0000 51653.6808 -109734.1264 296.8544 -161387.8072 -109379.9111 297.8855 -249.5514 -218.5351 762715.0399 -8.8679 -8.8295 PRESSURE: 446800 -317.449 32.0635 87.5034 32.063 263.477 129.796 87.5032 129.796 96.0028 GPRESSURE: 446800 -176.94 16.5806 181.162 59.9981 342.176 105.28 -2.78821 173.918 -51.8322 PRESSAVG: 446800 7.27506 -19.5801 -9.92435 -19.5801 12.6623 -1.58269 -9.92439 -1.58265 20.9913 GPRESSAVG: 446800 6.86095 -19.0829 -8.30079 -19.5513 13.8059 -2.24568 -10.3276 -2.89976 20.3352 TIMING: 446800 CPU: 1411.36, 0.00316662/step Wall: 1411.36, 0.00316662/step, 4.00507 hours remaining, 234.750000 MB of memory in use. ENERGY: 446800 3931.4771 20448.3440 14502.6709 239.0662 -203393.2584 2625.0265 0.0000 0.0000 51892.3260 -109754.3477 298.2259 -161646.6736 -109387.3715 297.8799 14.0105 37.8012 760217.3451 13.6429 13.6674 PRESSURE: 447000 399.448 101.36 74.7888 101.36 114.046 117.806 74.7888 117.806 -236.888 GPRESSURE: 447000 353.572 17.0107 72.1882 -37.6095 156.678 70.6142 18.4699 30.31 -141.485 PRESSAVG: 447000 20.7259 3.20681 -27.7893 3.20676 -16.3668 -4.88307 -27.7893 -4.88293 12.2646 GPRESSAVG: 447000 20.7403 1.21114 -27.1402 4.92349 -16.6513 -5.60859 -28.5141 -4.10436 12.1545 TIMING: 447000 CPU: 1412, 0.00318299/step Wall: 1412, 0.00318299/step, 4.0256 hours remaining, 234.750000 MB of memory in use. ENERGY: 447000 3917.5283 20556.1410 14488.7214 246.3175 -203557.2270 2971.1822 0.0000 0.0000 51849.6887 -109527.6479 297.9809 -161377.3366 -109171.3680 298.3253 92.2017 122.9216 761309.1640 5.5412 5.4145 PRESSURE: 447200 331.783 -112.022 125.146 -112.022 -368.252 -142.864 125.146 -142.864 -210.096 GPRESSURE: 447200 276.918 -65.395 171.648 -11.2731 -203.388 -75.4255 123.787 -243.111 -213.589 PRESSAVG: 447200 46.1848 19.7763 35.6998 19.7763 -66.7926 -86.3015 35.6998 -86.3016 -8.57693 GPRESSAVG: 447200 45.6635 23.7881 34.0566 16.789 -65.1656 -85.2333 36.6954 -87.3097 -9.37237 TIMING: 447200 CPU: 1412.64, 0.00318483/step Wall: 1412.64, 0.00318483/step, 4.02775 hours remaining, 234.750000 MB of memory in use. ENERGY: 447200 3954.9149 20519.9725 14414.7167 252.7165 -203678.7336 2825.9604 0.0000 0.0000 52339.8278 -109370.6248 300.7977 -161710.4526 -109004.9151 298.9431 -82.1883 -46.6865 762070.1010 -9.7283 -9.6248 PRESSURE: 447400 -96.585 190.808 109.038 190.808 59.6273 -188.538 109.038 -188.538 -101.517 GPRESSURE: 447400 -43.4258 240.739 106.596 128.169 61.8177 -57.2093 -7.60502 -142.168 -86.7592 PRESSAVG: 447400 19.6238 39.8907 23.7715 39.8907 -1.92544 -41.2924 23.7714 -41.2926 5.48356 GPRESSAVG: 447400 19.7267 37.8166 26.7918 42.0259 -3.78999 -39.2209 22.8604 -42.9098 7.02719 TIMING: 447400 CPU: 1413.27, 0.003168/step Wall: 1413.27, 0.003168/step, 4.00629 hours remaining, 234.750000 MB of memory in use. ENERGY: 447400 4011.3464 20601.9994 14415.6287 253.1432 -203077.7246 2589.0639 0.0000 0.0000 52021.7798 -109184.7632 298.9699 -161206.5430 -108832.9097 299.2643 -46.1583 -22.7891 763277.0780 7.7273 7.6546 PRESSURE: 447600 55.1076 111.826 -57.4427 111.826 75.5408 -252.343 -57.4418 -252.343 -289.114 GPRESSURE: 447600 133.475 53.9412 -9.76876 184.396 77.5012 -292.035 -45.3776 -180.63 -278.811 PRESSAVG: 447600 -8.39076 7.48872 37.9604 7.48872 13.9864 -16.5933 37.9604 -16.5933 -16.599 GPRESSAVG: 447600 -7.26013 6.66399 34.4268 8.14725 13.7996 -17.5098 40.6825 -14.4219 -17.1581 TIMING: 447600 CPU: 1413.91, 0.0031804/step Wall: 1413.91, 0.0031804/step, 4.0218 hours remaining, 234.750000 MB of memory in use. ENERGY: 447600 3976.2807 20693.9563 14431.1242 252.0788 -203530.5273 2954.6977 0.0000 0.0000 51973.0453 -109249.3443 298.6898 -161222.3896 -108890.0341 299.1209 -52.8220 -22.6115 762319.8974 -3.6678 -3.5395 PRESSURE: 447800 -78.552 39.3172 106.07 39.3174 -219.953 -66.5846 106.069 -66.5845 -106.666 GPRESSURE: 447800 -51.5476 32.9038 108.968 104.207 -89.4597 49.8444 107.711 -112.143 -166.847 PRESSAVG: 447800 -8.79845 -12.9405 12.7425 -12.9404 3.38495 -38.6281 12.7425 -38.6281 -10.3503 GPRESSAVG: 447800 -9.96617 -12.3081 14.2749 -12.8203 3.72129 -41.0016 11.6317 -39.5558 -8.69915 TIMING: 447800 CPU: 1414.55, 0.00320358/step Wall: 1414.55, 0.00320358/step, 4.05093 hours remaining, 234.750000 MB of memory in use. ENERGY: 447800 3976.5351 20523.5091 14483.9416 258.5049 -203417.5243 2602.8646 0.0000 0.0000 52245.0976 -109327.0714 300.2533 -161572.1690 -108959.8297 299.0713 -135.0571 -102.6180 761489.4423 -5.2546 -4.9813 PRESSURE: 448000 267.816 29.8149 206.223 29.8145 -192.148 -151.958 206.223 -151.959 396.137 GPRESSURE: 448000 212.161 25.891 78.319 -35.539 -138.93 -222.106 149.806 -102.722 484.22 PRESSAVG: 448000 72.8061 -23.128 -20.1539 -23.128 -27.2573 -59.244 -20.1539 -59.244 15.8931 GPRESSAVG: 448000 73.3662 -23.1905 -20.3358 -23.8541 -26.7959 -58.6987 -20.9169 -58.9659 14.6298 TIMING: 448000 CPU: 1415.18, 0.00318896/step Wall: 1415.18, 0.00318896/step, 4.03226 hours remaining, 234.750000 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: 448000 3973.4014 20588.1570 14542.7562 251.4954 -203578.8904 2879.7328 0.0000 0.0000 51978.0588 -109365.2889 298.7186 -161343.3477 -109014.2194 298.8682 157.2682 185.8167 761962.7473 20.4806 20.4000 PRESSURE: 448200 392.897 0.159955 -208.164 0.159373 -312.827 165.076 -208.164 165.076 86.3842 GPRESSURE: 448200 300.984 64.1472 -258.121 1.59758 -201.93 151.297 -240.605 175.566 158.016 PRESSAVG: 448200 49.2243 4.59363 43.0307 4.59374 -35.1302 4.71598 43.0307 4.71599 -0.508169 GPRESSAVG: 448200 49.3135 4.43806 42.9591 4.61019 -35.2692 5.3217 43.6423 3.33557 -0.592601 TIMING: 448200 CPU: 1415.82, 0.0031712/step Wall: 1415.82, 0.0031712/step, 4.00964 hours remaining, 234.750000 MB of memory in use. ENERGY: 448200 3973.1867 20658.5063 14516.5161 263.5473 -203440.5720 2682.3368 0.0000 0.0000 52007.1009 -109339.3779 298.8855 -161346.4788 -108968.7894 299.2040 55.4846 85.6899 762083.6892 4.5286 4.4839 LDB: ============= START OF LOAD BALANCING ============== 1428.35 LDB: ============== END OF LOAD BALANCING =============== 1428.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1428.36 LDB: ============= START OF LOAD BALANCING ============== 1428.67 LDB: Largest compute 7070 load 0.033577 is 17.2% of average load 0.195179 LDB: Average compute 0.004397 is 2.3% of average load 0.195179 LDB: TIME 1428.68 LOAD: AVG 0.195179 MAX 0.215159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 1428.68 LOAD: AVG 0.195179 MAX 0.215159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.766 MB LDB: TIME 1428.68 LOAD: AVG 0.195179 MAX 0.215159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.766 MB LDB: ============== END OF LOAD BALANCING =============== 1428.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1428.68 PRESSURE: 448400 -16.4051 -136.323 21.447 -136.323 57.7502 30.3857 21.4467 30.3852 170.907 GPRESSURE: 448400 65.6776 -163.042 -51.9942 -238.301 88.5402 9.62381 6.59812 -11.4645 124.467 PRESSAVG: 448400 2.11062 -27.9165 -0.492452 -27.9165 -2.79809 -9.82431 -0.492497 -9.82429 -22.5407 GPRESSAVG: 448400 1.76422 -28.4957 0.119381 -28.619 -2.62707 -10.3272 -1.82637 -7.5921 -22.4793 TIMING: 448400 CPU: 1416.47, 0.00324573/step Wall: 1416.47, 0.00324573/step, 4.10369 hours remaining, 232.835938 MB of memory in use. ENERGY: 448400 4022.4693 20625.9351 14524.8590 247.0762 -203209.4916 2638.4070 0.0000 0.0000 51968.4726 -109182.2723 298.6635 -161150.7449 -108827.6000 298.8562 70.7506 92.8950 762492.6133 -7.7427 -7.7807 PRESSURE: 448600 85.7821 -113.66 -132.196 -113.66 -157.954 177.077 -132.196 177.076 -158.605 GPRESSURE: 448600 22.8604 -194.321 -185.564 -60.8989 -77.6007 200.077 67.6731 194.486 -104.249 PRESSAVG: 448600 37.1275 -18.0141 13.8478 -18.014 2.1629 -6.94961 13.8479 -6.94958 5.35744 GPRESSAVG: 448600 36.7695 -18.7464 12.9733 -17.4617 2.08537 -7.91604 15.6258 -8.14844 5.13488 TIMING: 448600 CPU: 1417.1, 0.00316953/step Wall: 1417.1, 0.00316953/step, 4.00717 hours remaining, 232.835938 MB of memory in use. ENERGY: 448600 3967.7015 20603.5294 14530.0245 248.1925 -203240.3166 2815.7922 0.0000 0.0000 51837.2494 -109237.8271 297.9094 -161075.0765 -108869.3201 299.1413 -76.9256 -52.9965 762849.3228 14.8826 14.6633 PRESSURE: 448800 159.125 76.4878 -12.1339 76.4883 63.8336 -15.8601 -12.1339 -15.8623 -30.9966 GPRESSURE: 448800 265.324 96.2263 -120.096 78.3856 74.7661 108.091 67.5113 23.3684 -44.8529 PRESSAVG: 448800 59.0036 -35.4525 -32.5577 -35.4524 -42.3057 31.6765 -32.5578 31.6766 5.08127 GPRESSAVG: 448800 59.3799 -34.9433 -31.7703 -34.8768 -42.3567 34.4695 -33.9914 31.0107 4.83313 TIMING: 448800 CPU: 1417.74, 0.0031745/step Wall: 1417.74, 0.0031745/step, 4.01327 hours remaining, 232.835938 MB of memory in use. ENERGY: 448800 3936.5273 20683.1516 14500.5408 242.6784 -203616.8297 3150.8619 0.0000 0.0000 51851.2179 -109251.8518 297.9897 -161103.0697 -108891.0434 298.5710 63.9874 98.4123 763647.0831 7.2597 7.2854 PRESSURE: 449000 68.4665 -136.823 144.942 -136.823 -33.6634 -237.424 144.941 -237.423 302.446 GPRESSURE: 449000 152.237 -215.339 144.563 -85.561 -63.3742 -246.503 73.8391 -319.835 337.973 PRESSAVG: 449000 -28.0792 -54.2605 -22.6078 -54.2605 -3.29719 34.4334 -22.6078 34.4334 19.8926 GPRESSAVG: 449000 -27.8413 -54.8019 -22.5196 -53.8954 -3.21816 34.1628 -23.0515 34.709 19.5954 TIMING: 449000 CPU: 1418.37, 0.00317324/step Wall: 1418.37, 0.00317324/step, 4.01151 hours remaining, 232.835938 MB of memory in use. ENERGY: 449000 3900.8394 20591.3577 14440.2006 232.5769 -203458.0524 2778.9507 0.0000 0.0000 52355.7112 -109158.4159 300.8890 -161514.1271 -108787.0460 299.2662 112.4164 142.2787 762163.0108 -3.8279 -3.8214 PRESSURE: 449200 137.635 -162.809 -106.006 -162.808 294.302 -83.275 -106.005 -83.275 99.8423 GPRESSURE: 449200 116.871 -143.732 -75.5221 -179.213 327.959 -146.082 9.21223 -86.1553 171.166 PRESSAVG: 449200 48.9473 -20.3083 41.3497 -20.3083 -42.2735 -69.4092 41.3497 -69.4093 17.3818 GPRESSAVG: 449200 49.783 -17.7795 42.0127 -22.1815 -44.0833 -70.5237 43.128 -69.1568 18.2085 TIMING: 449200 CPU: 1419, 0.00316251/step Wall: 1419, 0.00316251/step, 3.99776 hours remaining, 232.867188 MB of memory in use. ENERGY: 449200 4016.1184 20578.2099 14550.5954 251.3170 -203387.0839 2993.7486 0.0000 0.0000 51990.9928 -109006.1017 298.7930 -160997.0946 -108643.1479 299.3442 177.2599 205.3320 762834.1208 8.0185 7.9694 PRESSURE: 449400 169.634 22.4123 23.7149 22.4123 -245.389 -186.428 23.7151 -186.428 -246.637 GPRESSURE: 449400 134.683 2.07827 -35.1484 63.2715 -199.568 -173.102 -33.6413 -53.906 -161.125 PRESSAVG: 449400 18.1144 -13.9677 11.1114 -13.9677 -11.1424 -34.9047 11.1114 -34.9046 0.897066 GPRESSAVG: 449400 17.4985 -14.6727 10.7023 -13.7027 -10.9296 -34.9095 8.84925 -34.5079 1.19489 TIMING: 449400 CPU: 1419.64, 0.00318876/step Wall: 1419.64, 0.00318876/step, 4.03076 hours remaining, 232.867188 MB of memory in use. ENERGY: 449400 4056.6315 20493.5057 14508.0861 248.7781 -203080.0987 2693.9024 0.0000 0.0000 52140.2054 -108938.9894 299.6505 -161079.1948 -108575.4688 299.3087 -107.4638 -75.3366 765011.4363 2.6230 2.5879 PRESSURE: 449600 -602.625 177.669 -182.235 177.668 -240.957 108.351 -182.235 108.35 -261.903 GPRESSURE: 449600 -549.473 154.307 -171.914 160.424 -285.891 95.9102 -69.3876 48.2391 -177.28 PRESSAVG: 449600 -20.4141 -29.5929 18.1606 -29.5929 -3.58336 -3.96232 18.1606 -3.96227 -6.41072 GPRESSAVG: 449600 -19.4956 -30.0572 18.5857 -28.8036 -4.57942 -4.34818 18.8391 -2.64729 -6.33359 TIMING: 449600 CPU: 1420.28, 0.0031825/step Wall: 1420.28, 0.00318249/step, 4.02267 hours remaining, 232.867188 MB of memory in use. ENERGY: 449600 4015.1957 20536.7514 14475.8572 253.4690 -203467.8568 2680.9780 0.0000 0.0000 52442.6330 -109062.9725 301.3885 -161505.6055 -108711.5849 299.6712 -368.4948 -337.5480 763718.8183 -10.1361 -10.1362 PRESSURE: 449800 31.1798 111.479 -40.1485 111.479 124.026 30.5902 -40.1484 30.5908 3.96999 GPRESSURE: 449800 19.3908 -13.6293 -65.6407 56.5422 119.298 67.5146 -0.659977 16.0149 89.5333 PRESSAVG: 449800 10.9879 23.5998 35.6444 23.5998 -45.0706 -18.8458 35.6444 -18.8457 -5.79521 GPRESSAVG: 449800 11.4711 22.592 35.5109 23.135 -44.994 -18.9102 36.5968 -18.0691 -6.8 TIMING: 449800 CPU: 1420.92, 0.0031892/step Wall: 1420.92, 0.0031892/step, 4.03097 hours remaining, 232.867188 MB of memory in use. ENERGY: 449800 3993.4456 20765.6158 14461.1295 254.8181 -203380.8952 2717.0455 0.0000 0.0000 52012.3060 -109176.5348 298.9154 -161188.8408 -108811.3974 299.3867 53.0587 76.0739 763762.6443 -13.2926 -13.4409 PRESSURE: 450000 -110.344 -106.046 201.302 -106.047 -173.404 95.3145 201.301 95.3148 -15.2891 GPRESSURE: 450000 -25.8299 -237.838 41.6577 -178.881 -204.998 142.784 94.5068 122.903 27.7758 PRESSAVG: 450000 -5.05759 -11.1378 -17.2435 -11.1378 9.20962 32.6907 -17.2435 32.6907 10.9326 GPRESSAVG: 450000 -5.96144 -11.7315 -17.8421 -10.6652 9.41284 33.5408 -18.3052 31.6873 11.7958 TIMING: 450000 CPU: 1421.55, 0.00317157/step Wall: 1421.55, 0.00317157/step, 4.00851 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: 450000 3998.8784 20402.3845 14472.4187 252.9548 -203005.5824 2575.9204 0.0000 0.0000 52032.6753 -109270.3503 299.0325 -161303.0256 -108901.8523 299.4790 -99.6791 -67.6840 765447.6529 5.0282 5.0824 PRESSURE: 450200 -1.37201 -71.4967 -222.798 -71.4968 -159.894 -289.933 -222.797 -289.933 -58.1291 GPRESSURE: 450200 -13.1862 -60.6439 -163.421 -10.7263 -50.371 -304.134 -230.789 -165.336 -70.0799 PRESSAVG: 450200 -14.8146 17.0576 39.0477 17.0577 -3.46862 -45.8848 39.0477 -45.8849 -6.61073 GPRESSAVG: 450200 -14.1863 17.628 38.1711 17.0238 -2.86376 -47.938 39.7562 -46.3345 -7.20587 TIMING: 450200 CPU: 1422.19, 0.00320266/step Wall: 1422.19, 0.00320266/step, 4.04763 hours remaining, 232.867188 MB of memory in use. ENERGY: 450200 4067.3306 20611.6969 14439.0232 231.7535 -203309.7836 2771.9505 0.0000 0.0000 52236.0056 -108952.0234 300.2010 -161188.0290 -108596.1083 299.3928 -73.1318 -44.5457 763072.1007 -8.2980 -8.0853 PRESSURE: 450400 36.8097 -192.334 134.524 -192.334 25.914 -235.425 134.523 -235.426 -218.17 GPRESSURE: 450400 -11.7667 -193.543 205.176 -115.326 62.4659 -222.839 21.0152 -203.462 -110.644 PRESSAVG: 450400 1.77249 35.8123 -28.5042 35.8123 26.9156 17.2929 -28.5043 17.293 -24.5284 GPRESSAVG: 450400 0.551761 37.0932 -28.6412 35.5605 26.2142 17.9626 -29.3546 17.5039 -22.9323 TIMING: 450400 CPU: 1422.83, 0.00317871/step Wall: 1422.83, 0.00317871/step, 4.01719 hours remaining, 232.867188 MB of memory in use. ENERGY: 450400 4006.7921 20607.3825 14451.5265 235.8240 -203151.7393 2625.6160 0.0000 0.0000 52261.1498 -108963.4484 300.3455 -161224.5982 -108598.4372 299.4644 -51.8154 -19.9815 762436.5684 1.3866 1.2779 PRESSURE: 450600 156.237 -120.926 -264.394 -120.926 -24.9823 -156.768 -264.394 -156.767 -403.485 GPRESSURE: 450600 208.045 -52.4061 -226.141 -233.323 -51.18 -106.214 -44.7313 -84.0205 -332.848 PRESSAVG: 450600 19.4992 -36.3698 -29.4304 -36.3697 -1.63117 -14.6354 -29.4304 -14.6355 8.38754 GPRESSAVG: 450600 20.0217 -38.3201 -28.325 -35.6112 -1.24679 -15.199 -28.1164 -15.2903 7.55503 TIMING: 450600 CPU: 1423.46, 0.00314698/step Wall: 1423.46, 0.00314698/step, 3.9769 hours remaining, 232.867188 MB of memory in use. ENERGY: 450600 4014.3282 20575.1399 14426.5862 236.3514 -203312.2151 2852.1428 0.0000 0.0000 52140.8322 -109066.8344 299.6541 -161207.6666 -108697.2051 299.9855 -90.7434 -58.6610 763048.8299 8.7518 8.7766 PRESSURE: 450800 -118.506 220.465 89.1405 220.465 -440.924 -62.4263 89.1414 -62.4261 -153.912 GPRESSURE: 450800 -26.0314 177.797 43.9458 113.331 -411.808 -4.26602 -133.676 105.665 -185.962 PRESSAVG: 450800 -16.8071 -15.0958 -8.38308 -15.0958 42.1601 2.88909 -8.3831 2.8891 2.8217 GPRESSAVG: 450800 -16.641 -15.9566 -8.86956 -16.6668 42.8185 4.40685 -9.1783 5.48384 2.08208 TIMING: 450800 CPU: 1424.09, 0.00316449/step Wall: 1424.09, 0.00316449/step, 3.99886 hours remaining, 232.867188 MB of memory in use. ENERGY: 450800 3988.3748 20609.8104 14507.9129 237.8302 -202793.9073 2471.4587 0.0000 0.0000 51966.5827 -109011.9376 298.6527 -160978.5203 -108647.5462 299.2111 -237.7806 -207.9338 763014.3250 9.3916 9.4199 PRESSURE: 451000 -274.459 79.5428 18.9303 79.543 -449.141 -103.575 18.9301 -103.576 146.685 GPRESSURE: 451000 -210.287 91.2678 -17.4605 158.989 -378.642 -140.06 103.243 -217.16 108.832 PRESSAVG: 451000 14.6352 56.4856 29.8854 56.4856 -6.01841 1.17228 29.8854 1.17237 -1.7495 GPRESSAVG: 451000 13.5594 58.2693 31.0185 56.1667 -4.58824 1.68773 29.0508 -1.27108 -1.81886 TIMING: 451000 CPU: 1424.72, 0.00317996/step Wall: 1424.72, 0.00317996/step, 4.01824 hours remaining, 232.867188 MB of memory in use. ENERGY: 451000 4042.0165 20488.1024 14500.0651 231.8822 -203245.8756 2760.3590 0.0000 0.0000 52117.3583 -109106.0919 299.5192 -161223.4503 -108739.3226 299.5130 -192.3050 -160.0324 762941.2657 2.2891 2.3841 PRESSURE: 451200 -83.5606 79.7727 -21.4341 79.7729 -50.0551 -157.535 -21.4331 -157.536 -156.504 GPRESSURE: 451200 14.3356 108.506 12.0559 -35.9253 -69.3917 -163.346 58.3894 -27.4456 -156.944 PRESSAVG: 451200 -40.3207 15.12 -0.332802 15.1199 45.6691 -3.71544 -0.332762 -3.71548 3.83185 GPRESSAVG: 451200 -39.391 14.39 0.710827 15.0239 43.1214 -4.25677 -0.855962 -2.90542 5.52573 TIMING: 451200 CPU: 1425.35, 0.00315066/step Wall: 1425.35, 0.00315066/step, 3.98103 hours remaining, 232.867188 MB of memory in use. ENERGY: 451200 3963.7138 20402.4685 14497.8971 231.5228 -202976.7043 2593.3690 0.0000 0.0000 51960.7873 -109326.9459 298.6194 -161287.7332 -108960.4246 299.1366 -96.7067 -70.6665 764343.0037 3.0601 3.0854 PRESSURE: 451400 -131.796 78.0553 77.9944 78.0557 75.1909 -41.2281 77.9943 -41.2284 16.5149 GPRESSURE: 451400 -143.436 102.144 97.9805 23.8857 110.854 19.4201 -36.8415 -89.0363 62.6334 PRESSAVG: 451400 -40.0271 -11.509 54.8848 -11.5089 72.8623 23.7312 54.8848 23.7312 -5.13737 GPRESSAVG: 451400 -40.1018 -11.7474 53.7846 -9.56695 73.1281 24.0025 55.1796 23.0919 -5.37354 TIMING: 451400 CPU: 1425.99, 0.00316043/step Wall: 1425.99, 0.00316043/step, 3.9932 hours remaining, 232.867188 MB of memory in use. ENERGY: 451400 3952.2103 20513.1464 14477.6259 253.6517 -203403.0272 2780.4698 0.0000 0.0000 52120.4916 -109305.4315 299.5372 -161425.9231 -108943.8265 298.7634 -13.3633 10.0172 762480.4382 9.2326 9.2176 PRESSURE: 451600 223.036 -34.3629 204.542 -34.3633 -5.95903 -88.8835 204.541 -88.8829 280.446 GPRESSURE: 451600 353.433 -126.588 199.381 -119.729 -20.7893 -112.581 240.829 -49.6997 255.92 PRESSAVG: 451600 65.9594 -16.3906 29.2819 -16.3907 -9.30543 12.9512 29.2819 12.9513 16.7053 GPRESSAVG: 451600 65.8416 -15.9324 28.7227 -15.6698 -8.72482 13.41 29.3356 14.8221 15.7554 TIMING: 451600 CPU: 1426.62, 0.00314635/step Wall: 1426.62, 0.00314635/step, 3.97523 hours remaining, 232.867188 MB of memory in use. ENERGY: 451600 3924.4078 20563.2580 14461.7818 242.8928 -203439.7419 2818.3465 0.0000 0.0000 52070.7712 -109358.2838 299.2514 -161429.0550 -109000.3531 298.5175 165.8409 196.1880 763137.3929 24.4531 24.2907 PRESSURE: 451800 149.625 -71.3344 17.3395 -71.3338 -260.904 376.632 17.3393 376.633 39.641 GPRESSURE: 451800 140.546 -162.726 5.44644 -11.9927 -224.921 339.23 28.331 179.466 88.1004 PRESSAVG: 451800 -13.7344 -81.7382 56.2372 -81.7382 -12.8567 12.2318 56.2371 12.2318 29.1682 GPRESSAVG: 451800 -13.6948 -82.3668 56.1589 -83.7432 -12.8979 10.7803 57.2116 12.371 29.1388 TIMING: 451800 CPU: 1427.25, 0.0031539/step Wall: 1427.25, 0.0031539/step, 3.9846 hours remaining, 232.867188 MB of memory in use. ENERGY: 451800 4002.1542 20375.2939 14537.4532 249.3678 -203725.3661 2906.6088 0.0000 0.0000 52037.3671 -109617.1210 299.0595 -161654.4882 -109255.4791 298.8147 -23.8793 1.2418 762220.5783 0.8590 0.8487 PRESSURE: 452000 45.128 -20.6223 119.728 -20.6212 -115.64 -220.516 119.728 -220.515 90.5428 GPRESSURE: 452000 125.9 126.477 49.9556 24.7002 -123.072 -116.802 41.401 -198.185 99.441 PRESSAVG: 452000 20.3611 13.629 39.9798 13.629 -16.4753 56.8874 39.9797 56.8874 17.2242 GPRESSAVG: 452000 21.3413 15.521 39.5011 14.3596 -18.0911 58.3922 39.5818 55.8687 17.8388 TIMING: 452000 CPU: 1427.88, 0.00316702/step Wall: 1427.88, 0.00316702/step, 4.001 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: 452000 4002.7432 20468.6298 14473.8496 240.3506 -203479.8018 2861.7177 0.0000 0.0000 51738.5504 -109693.9606 297.3422 -161432.5110 -109333.3971 298.0834 6.6770 34.0896 762630.4761 7.0367 7.0297 PRESSURE: 452200 -196.264 27.9295 314.316 27.9305 -78.8452 -141.219 314.317 -141.219 -21.677 GPRESSURE: 452200 -140.345 116.018 147.114 -20.259 -7.78706 -190.587 281.057 -199.771 -67.2181 PRESSAVG: 452200 37.0211 -32.6033 16.1032 -32.6033 6.59325 12.2317 16.1032 12.2315 8.22252 GPRESSAVG: 452200 35.8544 -31.9202 14.8139 -32.7526 7.57464 11.7474 17.3255 11.1152 8.62857 TIMING: 452200 CPU: 1428.52, 0.00318292/step Wall: 1428.52, 0.00318292/step, 4.02091 hours remaining, 232.867188 MB of memory in use. ENERGY: 452200 4067.3333 20679.5498 14487.0368 246.7835 -203679.2439 2779.9441 0.0000 0.0000 51789.6752 -109628.9211 297.6360 -161418.5963 -109279.4826 298.4436 -98.9287 -71.7834 762293.7143 17.2790 17.3525 LDB: ============= START OF LOAD BALANCING ============== 1441.05 LDB: ============== END OF LOAD BALANCING =============== 1441.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1441.05 LDB: ============= START OF LOAD BALANCING ============== 1441.37 LDB: Largest compute 7069 load 0.033128 is 17.0% of average load 0.195287 LDB: Average compute 0.004383 is 2.2% of average load 0.195287 LDB: TIME 1441.37 LOAD: AVG 0.195287 MAX 0.213287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.906 MB LDB: TIME 1441.37 LOAD: AVG 0.195287 MAX 0.213287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: TIME 1441.37 LOAD: AVG 0.195287 MAX 0.213287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: ============== END OF LOAD BALANCING =============== 1441.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1441.38 PRESSURE: 452400 83.3386 76.4269 -60.8123 76.4273 165.273 294.364 -60.8125 294.364 -90.7664 GPRESSURE: 452400 20.3419 -30.1044 -86.488 12.2403 233.72 289.702 -59.2168 256.826 -27.2932 PRESSAVG: 452400 21.473 -37.5249 14.6584 -37.5249 -14.9202 49.5393 14.6583 49.5393 -12.433 GPRESSAVG: 452400 21.3164 -39.5495 16.2795 -38.0465 -14.92 50.1628 14.6399 48.9836 -12.2703 TIMING: 452400 CPU: 1429.16, 0.00323229/step Wall: 1429.16, 0.00323229/step, 4.08311 hours remaining, 234.167969 MB of memory in use. ENERGY: 452400 3936.7426 20371.8109 14502.6112 245.6988 -203885.1667 3226.7203 0.0000 0.0000 51878.5604 -109723.0224 298.1468 -161601.5828 -109360.4888 298.0444 52.6150 75.5896 762910.9384 -1.9601 -1.9580 PRESSURE: 452600 -37.9863 66.3914 159.95 66.391 -16.4394 -183.895 159.95 -183.894 -478.184 GPRESSURE: 452600 90.7038 104.957 74.7009 33.5627 2.98482 -223.865 -10.7947 25.0015 -546.445 PRESSAVG: 452600 -23.5955 -41.7573 -17.8914 -41.7573 42.1943 36.8493 -17.8914 36.8493 21.5438 GPRESSAVG: 452600 -24.3091 -42.6934 -17.524 -42.4358 42.9599 36.5578 -21.0417 37.4794 21.5177 TIMING: 452600 CPU: 1429.79, 0.00314497/step Wall: 1429.79, 0.00314497/step, 3.97262 hours remaining, 234.257812 MB of memory in use. ENERGY: 452600 4048.8196 20402.8294 14546.7343 263.6548 -203858.3174 2930.5578 0.0000 0.0000 52067.9153 -109597.8061 299.2350 -161665.7214 -109233.6015 298.1256 -177.5364 -150.9189 760940.1170 13.3809 13.3895 PRESSURE: 452800 99.876 64.5506 245.884 64.5502 190.401 91.3598 245.884 91.3597 -94.4166 GPRESSURE: 452800 137.004 122.061 210.215 -23.2297 209.502 63.8682 267.462 118.041 -77.1343 PRESSAVG: 452800 -14.9168 10.5347 -2.7398 10.5347 2.26712 25.2305 -2.73983 25.2304 0.382432 GPRESSAVG: 452800 -14.2684 11.4651 -3.14052 11.3098 1.68665 24.4186 -4.00565 27.3082 -0.621065 TIMING: 452800 CPU: 1430.42, 0.00314917/step Wall: 1430.42, 0.00314917/step, 3.97775 hours remaining, 234.257812 MB of memory in use. ENERGY: 452800 4007.8037 20673.2583 14476.5829 259.0697 -203529.9335 2778.6180 0.0000 0.0000 52122.5334 -109212.0675 299.5489 -161334.6009 -108855.9893 298.5318 65.2869 89.7906 762747.5174 -4.0891 -4.4009 PRESSURE: 453000 -267.958 265.537 -168.137 265.537 233.472 86.3402 -168.136 86.3403 0.159393 GPRESSURE: 453000 -226.896 218.594 -165.756 206.364 277.626 90.7849 -112.443 93.3763 20.7095 PRESSAVG: 453000 -67.9514 86.5288 -51.4585 86.5288 45.7481 -8.79704 -51.4585 -8.79696 3.36269 GPRESSAVG: 453000 -66.9652 86.6745 -51.1168 87.9222 45.9431 -6.7558 -49.2502 -10.8514 2.70513 TIMING: 453000 CPU: 1431.06, 0.00317837/step Wall: 1431.06, 0.00317837/step, 4.01446 hours remaining, 234.257812 MB of memory in use. ENERGY: 453000 3973.6009 20600.2053 14405.9788 263.9962 -203686.8690 3051.5551 0.0000 0.0000 51951.2425 -109440.2903 298.5645 -161391.5328 -109077.5017 299.1656 -11.4422 23.8133 763262.0815 -6.2802 -6.1057 PRESSURE: 453200 -134.767 122.381 222.128 122.381 -29.4278 -9.43447 222.128 -9.43547 -131.395 GPRESSURE: 453200 -64.1402 110.772 245.865 46.0783 22.6829 5.76493 217.336 7.88203 -169.314 PRESSAVG: 453200 -35.5843 50.7409 -20.4852 50.7409 52.0539 24.4578 -20.4852 24.4578 10.6507 GPRESSAVG: 453200 -36.0613 48.9211 -19.863 49.9623 51.7822 23.4253 -19.092 23.8909 11.4864 TIMING: 453200 CPU: 1431.69, 0.00314608/step Wall: 1431.69, 0.00314608/step, 3.9735 hours remaining, 234.257812 MB of memory in use. ENERGY: 453200 3994.3732 20476.6731 14478.8484 236.1544 -203700.8224 2784.3592 0.0000 0.0000 52116.7407 -109613.6734 299.5156 -161730.4141 -109256.2388 298.6970 -98.5300 -70.2570 763172.0615 9.0401 9.0691 PRESSURE: 453400 -290.536 86.4461 45.7181 86.4466 -266.911 -92.9873 45.7174 -92.9893 -101.312 GPRESSURE: 453400 -168.492 94.8775 29.9663 208.216 -278.51 -130.17 101.936 -2.02293 -128.565 PRESSAVG: 453400 -17 18.1858 -0.859351 18.1859 1.88922 4.78907 -0.859369 4.78911 -3.10599 GPRESSAVG: 453400 -16.4551 19.8124 -1.28803 17.8107 2.08457 3.98636 -2.03007 5.60044 -3.58388 TIMING: 453400 CPU: 1432.32, 0.00316565/step Wall: 1432.32, 0.00316565/step, 3.99804 hours remaining, 234.257812 MB of memory in use. ENERGY: 453400 4009.8324 20397.3704 14411.5492 263.7250 -204022.5262 2931.0525 0.0000 0.0000 52290.2686 -109718.7281 300.5129 -162008.9967 -109350.1555 298.4593 -219.5861 -191.8558 762440.0823 -6.0722 -5.9848 PRESSURE: 453600 -370.607 105.926 -45.5577 105.926 -181.858 -146.017 -45.5565 -146.017 -142.467 GPRESSURE: 453600 -367.217 51.2725 -39.4315 30.4959 -170.963 -124.727 -71.6368 -285.91 -78.7355 PRESSAVG: 453600 -55.5739 45.58 -21.8922 45.58 -1.0115 -25.8373 -21.8921 -25.8374 -0.222415 GPRESSAVG: 453600 -56.2142 46.2643 -20.0736 44.3599 -0.694909 -26.1636 -22.0163 -26.3664 -0.00975335 TIMING: 453600 CPU: 1432.95, 0.00315057/step Wall: 1432.95, 0.00315057/step, 3.97883 hours remaining, 234.257812 MB of memory in use. ENERGY: 453600 3964.2560 20425.7630 14501.9655 261.8630 -203193.1543 2554.5245 0.0000 0.0000 51636.7163 -109848.0659 296.7569 -161484.7823 -109487.7944 297.8568 -231.6437 -205.6386 763427.7583 -18.9359 -18.9730 PRESSURE: 453800 -624.436 -89.1541 -7.8536 -89.1543 -113.745 39.7472 -7.85318 39.7462 146.855 GPRESSURE: 453800 -540.129 -193.361 26.8688 -144.508 -34.413 135.374 -16.8626 5.44399 61.5118 PRESSAVG: 453800 -49.3058 -3.90155 -15.2676 -3.90156 21.1063 -45.6694 -15.2676 -45.6695 20.6228 GPRESSAVG: 453800 -48.5098 -5.70587 -16.665 -4.1758 21.484 -44.2123 -14.787 -45.7898 19.6258 TIMING: 453800 CPU: 1433.58, 0.00316844/step Wall: 1433.58, 0.00316844/step, 4.00121 hours remaining, 234.257812 MB of memory in use. ENERGY: 453800 3890.8594 20391.5363 14469.7728 236.6119 -203905.8530 2843.0163 0.0000 0.0000 52008.9414 -110065.1148 298.8961 -162074.0562 -109694.8328 297.8891 -197.1087 -171.0099 760998.4524 -2.5256 -2.4667 PRESSURE: 454000 383.216 182.358 -222.321 182.358 -100.441 -158.451 -222.322 -158.451 -183.5 GPRESSURE: 454000 362.008 209.082 -255.509 109.389 -11.1046 -118.582 -163.217 -149.396 -159.155 PRESSAVG: 454000 14.2133 -26.3549 -26.005 -26.3549 21.9589 5.18418 -26.005 5.18415 17.0438 GPRESSAVG: 454000 13.5435 -27.2752 -26.3727 -26.1322 21.1914 5.04014 -29.0129 8.34675 18.5932 TIMING: 454000 CPU: 1434.22, 0.0031881/step Wall: 1434.22, 0.0031881/step, 4.02586 hours remaining, 234.257812 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: 454000 3975.6818 20634.7190 14481.4960 222.1090 -203864.9876 2845.2428 0.0000 0.0000 51811.0657 -109894.6734 297.7589 -161705.7391 -109535.1493 297.8026 33.0917 63.9162 761818.3306 17.7387 17.7761 PRESSURE: 454200 -473.565 -190.143 132.422 -190.143 151.9 280.81 132.422 280.81 -482.669 GPRESSURE: 454200 -380.203 -105.576 79.053 -280.327 128.425 305.031 124.969 224.072 -465.918 PRESSAVG: 454200 8.52271 20.1927 28.4854 20.1928 24.704 -3.19488 28.4855 -3.19487 -12.4626 GPRESSAVG: 454200 7.8692 21.1041 29.7324 19.8177 25.0803 -4.52781 31.2691 -4.19417 -12.2196 TIMING: 454200 CPU: 1434.86, 0.00317975/step Wall: 1434.86, 0.00317975/step, 4.01514 hours remaining, 234.257812 MB of memory in use. ENERGY: 454200 3995.5737 20673.4833 14521.5581 279.8502 -203913.8567 2886.4786 0.0000 0.0000 51962.3872 -109594.5255 298.6286 -161556.9127 -109235.2445 298.5415 -268.1114 -239.2324 761776.0114 6.9214 6.9100 PRESSURE: 454400 175.811 -11.0798 41.454 -11.0794 128.594 127.35 41.4539 127.349 309.876 GPRESSURE: 454400 275.861 -43.2164 32.8049 -44.0824 111.63 135.497 58.5713 243.018 289.645 PRESSAVG: 454400 -14.5237 36.438 -0.20191 36.4379 -56.3386 -12.1443 -0.201963 -12.1443 -18.7645 GPRESSAVG: 454400 -12.3769 36.0016 -0.962573 36.8576 -58.068 -12.0066 -1.59184 -11.0151 -19.6573 TIMING: 454400 CPU: 1435.49, 0.00318207/step Wall: 1435.49, 0.00318207/step, 4.01789 hours remaining, 234.257812 MB of memory in use. ENERGY: 454400 3991.6217 20699.2267 14477.6954 250.7778 -203661.5662 2838.4282 0.0000 0.0000 51892.2696 -109511.5468 298.2256 -161403.8164 -109150.3310 298.7690 204.7604 225.7119 762275.5599 -29.8756 -30.0340 PRESSURE: 454600 -107.907 -335.455 -197.351 -335.455 50.5275 161.712 -197.352 161.713 418.171 GPRESSURE: 454600 -147.239 -282.885 -141.524 -311.729 155.322 190.533 -253.81 136.394 450.144 PRESSAVG: 454600 16.7246 16.9221 23.3674 16.9221 -46.6332 4.69933 23.3674 4.6993 -21.4639 GPRESSAVG: 454600 14.3945 17.1771 24.2607 16.6624 -45.3791 5.09133 21.9636 4.09475 -20.3338 TIMING: 454600 CPU: 1436.13, 0.00317518/step Wall: 1436.13, 0.00317518/step, 4.00901 hours remaining, 234.257812 MB of memory in use. ENERGY: 454600 3996.0602 20457.0552 14507.7480 249.4576 -203449.7516 2672.5876 0.0000 0.0000 51873.9906 -109692.8525 298.1205 -161566.8431 -109325.9155 298.4348 120.2638 152.7423 761185.6057 -17.1242 -17.1061 PRESSURE: 454800 275.774 54.4656 158.321 54.4656 -136.884 -54.5297 158.32 -54.5294 -12.5355 GPRESSURE: 454800 264.508 132.913 149.643 -27.9977 -73.4668 -86.9766 223.966 -48.6813 10.7889 PRESSAVG: 454800 39.0637 -11.7414 -26.6467 -11.7413 -23.2635 27.949 -26.6467 27.949 7.10966 GPRESSAVG: 454800 39.7565 -10.7552 -29.065 -11.753 -22.2881 28.762 -24.0673 26.3236 5.44796 TIMING: 454800 CPU: 1436.76, 0.00316303/step Wall: 1436.76, 0.00316303/step, 3.99351 hours remaining, 234.257812 MB of memory in use. ENERGY: 454800 3949.1725 20690.9276 14454.1184 260.5847 -203775.5691 2849.0752 0.0000 0.0000 51860.0039 -109711.6868 298.0402 -161571.6908 -109343.6758 298.4986 42.1181 67.2765 761711.9120 7.6366 7.6388 PRESSURE: 455000 149.911 172.198 -121.053 172.198 39.6276 -287.577 -121.052 -287.576 -550.533 GPRESSURE: 455000 167.796 -10.3101 -44.395 193.029 12.3572 -232.617 -167.551 -173.452 -462.673 PRESSAVG: 455000 23.1533 -30.4923 0.494785 -30.4923 -22.544 16.0939 0.494805 16.0939 -1.86364 GPRESSAVG: 455000 23.0536 -31.9564 0.778224 -28.6979 -24.5558 14.5351 0.255934 16.1436 0.709577 TIMING: 455000 CPU: 1437.4, 0.00318221/step Wall: 1437.4, 0.00318221/step, 4.01754 hours remaining, 234.257812 MB of memory in use. ENERGY: 455000 4080.6041 20475.6191 14553.2252 257.6340 -203915.8547 2983.8473 0.0000 0.0000 51998.9163 -109566.0086 298.8385 -161564.9250 -109200.5394 298.9508 -120.3313 -94.1733 761386.7003 -0.4181 -0.2642 PRESSURE: 455200 415.812 -148.825 -16.5783 -148.826 234.031 107.64 -16.5787 107.64 26.5947 GPRESSURE: 455200 464.768 5.42804 12.7555 -162.733 243.712 97.2449 -227.656 166.471 51.5426 PRESSAVG: 455200 -15.8059 -10.6061 -47.8886 -10.6061 -23.158 -13.5233 -47.8886 -13.5234 -5.33054 GPRESSAVG: 455200 -16.1217 -9.18899 -45.7081 -11.0825 -21.2425 -12.193 -49.8693 -12.7573 -6.79543 TIMING: 455200 CPU: 1438.03, 0.00317816/step Wall: 1438.03, 0.00317816/step, 4.01225 hours remaining, 234.257812 MB of memory in use. ENERGY: 455200 4046.9469 20647.4116 14409.0989 255.3249 -203610.9145 2871.3443 0.0000 0.0000 51818.2289 -109562.5590 297.8001 -161380.7879 -109207.2918 299.3662 225.4795 253.3406 761365.8382 -14.7648 -14.7199 PRESSURE: 455400 -22.6975 -109.837 -87.1773 -109.838 -146.834 -47.2063 -87.1774 -47.2061 351.623 GPRESSURE: 455400 51.6781 -56.6004 -109.833 -137.987 -146.302 -40.2974 -54.1134 34.4723 370.647 PRESSAVG: 455400 7.56565 12.9948 -44.0021 12.9948 6.25638 1.54946 -44.0022 1.54946 27.3553 GPRESSAVG: 455400 7.67626 11.2123 -44.5537 14.8152 5.9896 2.08406 -42.3823 2.02522 26.9755 TIMING: 455400 CPU: 1438.67, 0.00318943/step Wall: 1438.67, 0.00318943/step, 4.0263 hours remaining, 234.257812 MB of memory in use. ENERGY: 455400 3924.7075 20664.4979 14498.1203 251.4285 -203266.5250 2607.8984 0.0000 0.0000 51698.3419 -109621.5305 297.1111 -161319.8724 -109262.6533 298.5777 60.6971 92.0080 762729.4108 13.7258 13.5471 PRESSURE: 455600 -189.32 -16.6949 -157.335 -16.6961 -95.0983 33.9103 -157.336 33.9096 -4.29801 GPRESSURE: 455600 -104.49 -92.1798 -141.945 -2.08825 -51.6213 -29.3656 -81.7833 169.365 -53.9732 PRESSAVG: 455600 26.4308 -11.8228 -30.2024 -11.8229 -36.9432 16.4867 -30.2024 16.4866 7.52133 GPRESSAVG: 455600 27.2448 -10.2822 -30.687 -12.5888 -37.6703 13.5109 -31.8895 16.1041 7.04614 TIMING: 455600 CPU: 1439.31, 0.00317266/step Wall: 1439.31, 0.00317266/step, 4.00496 hours remaining, 234.257812 MB of memory in use. ENERGY: 455600 3957.0421 20598.2211 14385.5090 245.2855 -203232.5217 2528.3934 0.0000 0.0000 51951.1462 -109566.9243 298.5640 -161518.0705 -109192.8830 298.6815 -96.2388 -70.0283 762516.0033 -0.9970 -1.1264 PRESSURE: 455800 -340.868 -48.5701 53.4046 -48.5701 -458.368 -155.639 53.4046 -155.639 90.163 GPRESSURE: 455800 -330.118 -82.6757 69.7446 -82.5065 -379.361 -107.9 38.3099 -240.962 101.634 PRESSAVG: 455800 17.4692 13.6694 -95.7833 13.6694 -70.7199 14.1546 -95.7832 14.1546 14.5232 GPRESSAVG: 455800 16.1606 15.2778 -96.5805 13.6865 -69.8013 17.7155 -95.4769 11.5935 15.151 TIMING: 455800 CPU: 1439.94, 0.00318717/step Wall: 1439.94, 0.00318717/step, 4.0231 hours remaining, 234.257812 MB of memory in use. ENERGY: 455800 3970.8797 20664.9386 14437.6909 259.4599 -203299.8038 2670.5893 0.0000 0.0000 51897.8249 -109398.4204 298.2575 -161296.2453 -109041.0450 298.6698 -236.3578 -202.6149 763760.0606 -12.9091 -12.8299 PRESSURE: 456000 132.936 105.179 187.182 105.178 122.515 -3.92392 187.182 -3.9246 521.788 GPRESSURE: 456000 146.715 154.571 211.841 1.75091 178.076 -21.276 142.382 -140.089 540.238 PRESSAVG: 456000 10.5493 4.90739 16.1496 4.90738 -26.7866 -12.2682 16.1497 -12.2682 9.17236 GPRESSAVG: 456000 11.3097 3.54254 14.8191 5.86149 -28.4601 -12.9123 16.3369 -11.4832 10.252 TIMING: 456000 CPU: 1440.58, 0.00318362/step Wall: 1440.58, 0.00318362/step, 4.01844 hours remaining, 234.257812 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: 456000 4027.5121 20633.8686 14466.6838 255.4992 -204073.8588 3010.1699 0.0000 0.0000 52311.8858 -109368.2395 300.6371 -161680.1253 -109010.3726 298.9931 259.0797 288.3430 762169.2847 -2.3550 -2.2994 PRESSURE: 456200 -78.974 17.7187 29.7442 17.7193 -232.56 153.408 29.7451 153.408 -172.711 GPRESSURE: 456200 -92.437 43.1228 55.8793 48.885 -201.169 163.532 107.609 -2.74381 -93.9507 PRESSAVG: 456200 -4.16087 46.3067 -48.119 46.3067 -17.7939 38.6856 -48.119 38.6856 6.60073 GPRESSAVG: 456200 -3.44321 47.2502 -46.3337 47.7596 -16.8534 38.1366 -47.157 40.073 5.79945 TIMING: 456200 CPU: 1441.22, 0.00319769/step Wall: 1441.22, 0.00319769/step, 4.03602 hours remaining, 234.257812 MB of memory in use. ENERGY: 456200 4019.4556 20632.7026 14456.4195 251.3372 -203201.4070 2379.7993 0.0000 0.0000 52084.1420 -109377.5508 299.3283 -161461.6927 -109016.5307 299.3535 -161.4150 -129.1857 763548.4354 -5.1180 -4.8324 LDB: ============= START OF LOAD BALANCING ============== 1453.75 LDB: ============== END OF LOAD BALANCING =============== 1453.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1453.75 LDB: ============= START OF LOAD BALANCING ============== 1454.07 LDB: Largest compute 7060 load 0.031231 is 16.0% of average load 0.195210 LDB: Average compute 0.004374 is 2.2% of average load 0.195210 LDB: TIME 1454.08 LOAD: AVG 0.19521 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.152 MB LDB: TIME 1454.08 LOAD: AVG 0.19521 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: TIME 1454.08 LOAD: AVG 0.19521 MAX 0.214889 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: ============== END OF LOAD BALANCING =============== 1454.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1454.08 PRESSURE: 456400 -183.844 -360.757 -64.2149 -360.758 -152.645 -289.641 -64.2154 -289.641 56.8968 GPRESSURE: 456400 -98.557 -368.607 -98.4503 -258.413 -169.277 -249.602 -129.85 -176.648 76.0383 PRESSAVG: 456400 -28.3918 40.1461 -31.7378 40.1461 -21.1583 40.9886 -31.7378 40.9886 -13.3052 GPRESSAVG: 456400 -29.1797 41.0296 -32.4744 37.8733 -20.1788 39.2825 -30.5719 40.591 -13.1439 TIMING: 456400 CPU: 1441.87, 0.00323866/step Wall: 1441.87, 0.00323866/step, 4.08755 hours remaining, 233.433594 MB of memory in use. ENERGY: 456400 3988.9654 20552.0849 14521.8043 271.1320 -204105.0837 3178.9714 0.0000 0.0000 52077.7341 -109514.3916 299.2915 -161592.1257 -109157.4651 299.0658 -93.1972 -63.9318 763033.6768 -20.9518 -20.8341 PRESSURE: 456600 100.427 61.763 -66.9529 61.7627 211.643 171.012 -66.9543 171.012 -134.941 GPRESSURE: 456600 112.403 73.5694 -73.34 -35.0579 214.931 236.941 -4.71925 68.8409 -59.6914 PRESSAVG: 456600 32.7562 -13.1782 4.28085 -13.1783 -49.1616 -11.1834 4.28085 -11.1834 -5.22772 GPRESSAVG: 456600 33.8688 -14.6116 4.63057 -13.6723 -50.3956 -7.75106 3.59137 -11.9306 -5.46336 TIMING: 456600 CPU: 1442.5, 0.00318256/step Wall: 1442.5, 0.00318256/step, 4.01657 hours remaining, 233.742188 MB of memory in use. ENERGY: 456600 3949.1978 20536.0085 14519.3435 260.7757 -204092.2115 3229.2642 0.0000 0.0000 52289.1582 -109308.4638 300.5065 -161597.6219 -108941.5606 299.2882 59.0431 89.2142 763417.8433 -7.2110 -7.3300 PRESSURE: 456800 -180.409 55.2175 90.5805 55.2176 -69.5363 -169.785 90.5801 -169.784 -269.653 GPRESSURE: 456800 -133.451 113.232 139.123 19.715 -43.4274 -164.353 57.3368 -201.019 -247.927 PRESSAVG: 456800 -54.567 30.0079 1.34806 30.0079 -5.5166 27.5858 1.34811 27.5858 10.4836 GPRESSAVG: 456800 -54.7898 30.8593 1.03702 30.7651 -5.91588 25.126 -1.34987 30.5549 11.088 TIMING: 456800 CPU: 1443.14, 0.00319666/step Wall: 1443.14, 0.00319666/step, 4.03419 hours remaining, 233.742188 MB of memory in use. ENERGY: 456800 4010.5742 20604.9551 14431.7158 244.8302 -203192.8399 2674.8507 0.0000 0.0000 51824.9173 -109400.9966 297.8385 -161225.9139 -109037.4597 298.9511 -173.1995 -141.6019 763196.1642 -16.5333 -16.5392 PRESSURE: 457000 -172.485 99.4307 -200.059 99.4311 -258.149 -87.6523 -200.059 -87.6513 125.982 GPRESSURE: 457000 -151.477 -17.299 -214.787 179.78 -147.664 -157.372 -97.0263 -75.2299 63.3369 PRESSAVG: 457000 -53.8774 -47.8371 65.1924 -47.8371 23.2004 -11.2905 65.1924 -11.2905 -13.3894 GPRESSAVG: 457000 -53.141 -49.9398 64.3818 -45.4254 23.3916 -11.2602 67.6319 -12.2842 -14.4057 TIMING: 457000 CPU: 1443.78, 0.00317603/step Wall: 1443.78, 0.00317603/step, 4.00798 hours remaining, 233.800781 MB of memory in use. ENERGY: 457000 3974.1192 20549.3794 14426.7548 240.6018 -203610.1551 2865.2339 0.0000 0.0000 52045.7058 -109508.3600 299.1074 -161554.0658 -109148.9786 298.8851 -101.5506 -78.6014 762235.7261 -14.6888 -14.7184 PRESSURE: 457200 -69.688 49.17 134.418 49.1692 -61.4674 211.301 134.418 211.3 178.171 GPRESSURE: 457200 32.9071 47.9656 88.1418 20.6196 -78.4791 316.426 137.049 78.6519 162.386 PRESSAVG: 457200 -32.3887 7.84651 15.2915 7.84652 16.3222 -16.8802 15.2914 -16.8801 -1.06173 GPRESSAVG: 457200 -31.5226 10.164 14.5783 6.6948 15.308 -16.6905 12.4768 -18.3029 -0.90982 TIMING: 457200 CPU: 1444.42, 0.00318639/step Wall: 1444.42, 0.00318639/step, 4.02087 hours remaining, 233.789062 MB of memory in use. ENERGY: 457200 3933.4105 20568.0920 14515.1539 236.7059 -203523.4326 2696.1156 0.0000 0.0000 51988.0995 -109585.8551 298.7763 -161573.9546 -109226.7579 298.6314 15.6718 38.9380 762208.1250 -5.7094 -5.7082 PRESSURE: 457400 -191.135 -267.914 81.2011 -267.914 -62.2611 115.35 81.2015 115.35 -271.657 GPRESSURE: 457400 -106.536 -362.36 23.1876 -186.427 -109.115 62.7336 20.8142 117.128 -220.469 PRESSAVG: 457400 -40.5782 -21.2387 104.063 -21.2388 45.9809 -12.0489 104.063 -12.0489 -9.45298 GPRESSAVG: 457400 -40.9709 -22.2113 104.307 -22.2102 46.1596 -13.004 106.54 -13.7981 -9.16871 TIMING: 457400 CPU: 1445.05, 0.00317686/step Wall: 1445.05, 0.00317686/step, 4.00867 hours remaining, 233.800781 MB of memory in use. ENERGY: 457400 4083.0120 20612.6281 14448.2654 245.3817 -203681.7708 2848.2201 0.0000 0.0000 51974.0870 -109470.1766 298.6958 -161444.2636 -109114.5093 298.1846 -175.0177 -145.3732 761258.8702 -1.3501 -1.3267 PRESSURE: 457600 -99.4066 32.3358 91.3381 32.3348 60.6286 168.679 91.339 168.679 -111.15 GPRESSURE: 457600 -67.4291 56.2797 69.1185 114.907 26.2747 166.947 129.596 60.6347 -56.3036 PRESSAVG: 457600 3.6613 -29.9761 16.5175 -29.9761 -24.3816 -0.607032 16.5175 -0.607033 12.0378 GPRESSAVG: 457600 3.14418 -32.5943 17.5908 -29.6927 -23.8663 0.228689 14.9489 0.528532 12.1241 TIMING: 457600 CPU: 1445.68, 0.00315978/step Wall: 1445.68, 0.00315978/step, 3.98694 hours remaining, 233.800781 MB of memory in use. ENERGY: 457600 4016.0540 20521.6309 14437.4166 253.2343 -203503.6770 2880.3608 0.0000 0.0000 51968.4619 -109426.5185 298.6635 -161394.9804 -109061.0738 298.5362 -49.9761 -32.4860 764330.3033 -2.8942 -2.8660 PRESSURE: 457800 508.238 -130.207 40.3153 -130.206 166.631 236.045 40.3155 236.045 -94.8926 GPRESSURE: 457800 485.217 23.8681 -2.75859 -5.85734 207.218 198.507 60.9417 129.46 -32.7928 PRESSAVG: 457800 16.8825 38.0858 1.88559 38.0858 33.2731 -2.0677 1.88566 -2.06773 5.2743 GPRESSAVG: 457800 17.3131 41.2043 1.92913 38.5024 33.0947 -1.1507 3.30988 -3.57655 4.63723 TIMING: 457800 CPU: 1446.32, 0.00318366/step Wall: 1446.32, 0.00318366/step, 4.0169 hours remaining, 233.800781 MB of memory in use. ENERGY: 457800 3982.8115 20692.7444 14430.1043 246.0752 -203889.7663 3117.4751 0.0000 0.0000 52009.7072 -109410.8486 298.9005 -161420.5558 -109052.2925 299.2266 193.3253 219.8811 760949.8134 18.4766 18.3484 PRESSURE: 458000 183.858 81.3741 40.8207 81.3747 183.806 133.194 40.8215 133.195 -9.69085 GPRESSURE: 458000 107.782 -44.6576 12.3084 19.4415 252.594 126.003 59.6344 89.1686 89.1643 PRESSAVG: 458000 -0.701308 23.5146 -61.2835 23.5145 32.3485 -37.9173 -61.2836 -37.9173 -9.85155 GPRESSAVG: 458000 -0.914657 23.1971 -61.0483 21.9101 32.3423 -37.0999 -61.4346 -37.0022 -9.63285 TIMING: 458000 CPU: 1446.96, 0.0031803/step Wall: 1446.96, 0.0031803/step, 4.01247 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: 458000 3942.6815 20693.3794 14453.8474 236.4669 -203484.2099 2719.4989 0.0000 0.0000 52155.8605 -109282.4753 299.7404 -161438.3358 -108921.7078 299.0516 119.3247 149.8468 762325.5105 7.2652 7.2649 PRESSURE: 458200 7.77642 134.787 126.186 134.787 -116.082 -129.403 126.186 -129.403 -283.207 GPRESSURE: 458200 -17.2175 130.394 205.591 211.049 -70.8953 -47.2962 153.996 -47.0053 -228.256 PRESSAVG: 458200 -34.0175 -13.9258 10.7435 -13.9257 20.1121 -69.1143 10.7435 -69.1143 -1.52668 GPRESSAVG: 458200 -34.8288 -14.5663 9.87528 -14.9053 20.1213 -70.2129 8.70797 -67.6579 -0.727666 TIMING: 458200 CPU: 1447.59, 0.00318671/step Wall: 1447.59, 0.00318671/step, 4.02039 hours remaining, 233.800781 MB of memory in use. ENERGY: 458200 3982.3610 20457.8659 14483.6269 239.4434 -203594.3548 2925.2850 0.0000 0.0000 52094.9382 -109410.8346 299.3903 -161505.7727 -109049.6831 298.9564 -130.5041 -105.4563 762500.4985 -5.1440 -5.1451 PRESSURE: 458400 -229.425 -85.1764 -180.394 -85.1758 105.308 115.338 -180.395 115.338 -4.11707 GPRESSURE: 458400 -241.287 -69.7578 -131.053 20.4487 109.344 60.2697 -190.521 47.9094 82.7724 PRESSAVG: 458400 -23.0083 -50.8714 42.8763 -50.8714 67.0715 6.39843 42.8763 6.39846 -11.0571 GPRESSAVG: 458400 -23.0108 -49.0904 43.8377 -48.3428 66.3595 5.61934 43.8677 5.01463 -10.7439 TIMING: 458400 CPU: 1448.23, 0.0031647/step Wall: 1448.23, 0.0031647/step, 3.99245 hours remaining, 233.800781 MB of memory in use. ENERGY: 458400 3962.8006 20416.7207 14433.6984 238.5882 -203245.5667 2658.3108 0.0000 0.0000 52241.6027 -109293.8453 300.2332 -161535.4480 -108930.3965 298.8790 -42.7448 -16.3902 763447.9780 11.0020 10.8683 PRESSURE: 458600 -244.238 -231.66 57.0772 -231.66 40.6973 304.904 57.0774 304.904 -3.38582 GPRESSURE: 458600 -237.648 -240.376 56.8099 -204.988 105.013 214.461 -9.17448 277.877 13.6664 PRESSAVG: 458600 -59.4495 -4.55053 -6.4397 -4.5505 81.2539 -21.3068 -6.43975 -21.3068 -3.8066 GPRESSAVG: 458600 -59.6738 -5.9476 -5.85933 -5.57339 81.735 -21.4693 -6.31505 -19.4471 -3.74118 TIMING: 458600 CPU: 1448.86, 0.00317504/step Wall: 1448.86, 0.00317504/step, 4.00532 hours remaining, 233.800781 MB of memory in use. ENERGY: 458600 4016.3535 20698.3687 14476.9162 251.5476 -203032.4999 2608.3154 0.0000 0.0000 51780.4590 -109200.5395 297.5830 -160980.9985 -108844.4726 298.8804 -68.9755 -39.6562 763184.1364 5.9992 6.1067 PRESSURE: 458800 -128.172 42.3265 -22.7814 42.3263 -114.272 -86.6055 -22.7819 -86.6064 -205.717 GPRESSURE: 458800 -71.7132 65.0947 -193.95 81.0546 -75.8307 -112.012 135.852 -10.0033 -217.275 PRESSAVG: 458800 -18.4433 9.69142 0.193813 9.69142 34.4699 2.86378 0.193817 2.86378 10.2863 GPRESSAVG: 458800 -18.5039 9.52335 -1.80875 10.49 34.7244 3.97623 1.64084 1.82188 9.72857 TIMING: 458800 CPU: 1449.49, 0.0031576/step Wall: 1449.49, 0.0031576/step, 3.98313 hours remaining, 233.800781 MB of memory in use. ENERGY: 458800 3948.2075 20668.4587 14522.5436 229.4125 -203223.3460 2621.0389 0.0000 0.0000 51951.8686 -109281.8161 298.5681 -161233.6847 -108913.9168 299.0100 -149.3869 -121.6062 762261.7998 8.7710 8.6497 PRESSURE: 459000 12.7204 -128.714 120.435 -128.715 77.1043 -24.4953 120.435 -24.4954 -117.802 GPRESSURE: 459000 34.2509 -216.49 150.88 -209.731 99.0351 -22.81 45.673 -75.328 -70.0048 PRESSAVG: 459000 -19.3052 18.4571 44.8952 18.4571 -2.38657 -1.32506 44.8953 -1.32504 12.652 GPRESSAVG: 459000 -17.9574 20.7824 44.9822 17.8501 -3.26704 -0.700425 41.2597 -2.63944 12.6985 TIMING: 459000 CPU: 1450.12, 0.00312483/step Wall: 1450.12, 0.00312483/step, 3.94162 hours remaining, 233.800781 MB of memory in use. ENERGY: 459000 3963.4026 20600.1527 14511.1228 260.3593 -203267.9142 2617.2739 0.0000 0.0000 52352.0470 -108963.5560 300.8679 -161315.6029 -108603.3300 299.4677 -9.3259 21.0937 763594.6128 -3.0133 -2.8420 PRESSURE: 459200 83.5396 -129.014 -209.543 -129.014 -102.206 -43.6178 -209.543 -43.6174 233.696 GPRESSURE: 459200 77.6532 -195.202 -292.101 -59.3303 -13.8288 -69.2804 -86.6154 37.6719 232.806 PRESSAVG: 459200 -14.6038 -41.5007 54.0551 -41.5008 -24.6925 -2.31484 54.0551 -2.31482 9.28551 GPRESSAVG: 459200 -14.0992 -43.6897 55.944 -41.6204 -24.6307 -3.71272 55.2082 -0.612242 8.05711 TIMING: 459200 CPU: 1450.75, 0.0031436/step Wall: 1450.75, 0.0031436/step, 3.96513 hours remaining, 233.800781 MB of memory in use. ENERGY: 459200 3936.6384 20468.4556 14446.2014 246.3867 -203277.3010 2814.7910 0.0000 0.0000 52363.5593 -109001.2686 300.9341 -161364.8279 -108624.1854 299.8067 71.6764 98.8768 764167.2952 -10.0036 -10.2243 PRESSURE: 459400 36.7872 -391.508 82.726 -391.508 -222.729 13.8455 82.7256 13.8447 -51.9759 GPRESSURE: 459400 62.407 -293.494 53.4156 -407.237 -211.786 56.2709 323.337 98.6595 17.9635 PRESSAVG: 459400 104.178 -19.0982 10.8143 -19.0982 -43.7002 -31.7024 10.8144 -31.7024 -15.8079 GPRESSAVG: 459400 103.829 -16.348 9.82501 -17.8209 -43.7698 -30.8866 13.4225 -30.683 -15.5554 TIMING: 459400 CPU: 1451.38, 0.0031659/step Wall: 1451.38, 0.0031659/step, 3.99307 hours remaining, 233.800781 MB of memory in use. ENERGY: 459400 3973.7580 20603.8430 14513.0813 265.6652 -202913.4428 2591.8618 0.0000 0.0000 51937.3767 -109027.8569 298.4848 -160965.2336 -108671.8582 299.2637 -79.3060 -43.8053 763306.9241 14.8899 14.8346 PRESSURE: 459600 -224.669 -136.999 97.808 -137 -435.044 15.9336 97.8073 15.9348 -52.6286 GPRESSURE: 459600 -173.605 -105.463 67.5013 -170.818 -408.136 58.2657 100.159 -49.756 -54.5404 PRESSAVG: 459600 -40.1889 -35.1934 35.606 -35.1935 28.2711 24.6471 35.606 24.647 8.43125 GPRESSAVG: 459600 -41.848 -36.2706 37.0838 -38.296 29.2424 24.7715 34.3095 23.6727 9.12317 TIMING: 459600 CPU: 1452.01, 0.00316429/step Wall: 1452.01, 0.00316429/step, 3.99088 hours remaining, 233.800781 MB of memory in use. ENERGY: 459600 3965.0185 20591.5053 14511.0055 235.3980 -202976.8139 2696.9167 0.0000 0.0000 52012.2775 -108964.6926 298.9153 -160976.9700 -108611.5576 299.6364 -237.4473 -212.0939 764566.8198 -1.1622 -1.1608 PRESSURE: 459800 -168.616 -145.095 286.35 -145.095 -224.987 -72.0726 286.349 -72.0724 -297.798 GPRESSURE: 459800 -122.918 -247.864 282.484 -44.8154 -174.14 -52.6355 361.392 -4.5284 -308.145 PRESSAVG: 459800 8.04237 -12.1677 30.321 -12.1677 42.7009 -33.3274 30.321 -33.3274 15.2878 GPRESSAVG: 459800 10.4612 -13.556 30.9344 -9.67996 40.0037 -33.9655 30.09 -33.5314 15.4842 TIMING: 459800 CPU: 1452.64, 0.00315321/step Wall: 1452.64, 0.00315321/step, 3.97672 hours remaining, 233.800781 MB of memory in use. ENERGY: 459800 3995.8830 20538.1957 14492.8728 244.4368 -203034.1274 2493.0710 0.0000 0.0000 52327.4715 -108942.1966 300.7267 -161269.6681 -108580.0535 299.5353 -230.4670 -201.7343 762826.1522 22.0104 21.9830 PRESSURE: 460000 -240.918 34.6038 -18.6881 34.6046 381.491 -177.768 -18.6881 -177.766 50.2359 GPRESSURE: 460000 -112.348 -46.1414 28.1389 -67.408 303.855 -87.3544 4.39161 9.2727 76.7841 PRESSAVG: 460000 -34.9107 3.64346 3.08871 3.64349 -2.51649 -9.37555 3.08867 -9.37548 12.7325 GPRESSAVG: 460000 -35.5637 5.62024 1.31831 2.88818 -2.5079 -7.56183 4.62361 -9.90626 12.6937 TIMING: 460000 CPU: 1453.28, 0.00316457/step Wall: 1453.28, 0.00316457/step, 3.99087 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: 460000 3996.1043 20635.3142 14486.2200 250.8122 -203408.6359 2888.5191 0.0000 0.0000 52366.7700 -108784.8962 300.9525 -161151.6661 -108430.5287 299.2301 63.6029 89.4302 763787.3907 -8.2316 -8.4593 PRESSURE: 460200 -227.347 30.9314 242.134 30.9317 -18.486 -102.263 242.135 -102.264 -80.4849 GPRESSURE: 460200 -75.8716 -26.5167 284.701 167.188 18.2301 -146.05 169.617 -72.7261 -162.797 PRESSAVG: 460200 -9.21282 14.3552 -2.31761 14.3552 8.6092 -61.938 -2.31757 -61.938 -22.7223 GPRESSAVG: 460200 -9.01899 12.9063 -2.37728 15.1554 9.37207 -63.5249 -4.30575 -59.7663 -23.273 TIMING: 460200 CPU: 1453.9, 0.00313846/step Wall: 1453.9, 0.00313846/step, 3.95777 hours remaining, 233.800781 MB of memory in use. ENERGY: 460200 4039.8310 20687.6564 14439.7403 254.3446 -202835.2731 2363.2974 0.0000 0.0000 52438.7212 -108611.6823 301.3661 -161050.4035 -108243.8249 300.4562 -108.7725 -73.4794 762443.6158 -7.7753 -7.6400 LDB: ============= START OF LOAD BALANCING ============== 1466.44 LDB: ============== END OF LOAD BALANCING =============== 1466.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1466.44 LDB: ============= START OF LOAD BALANCING ============== 1466.75 LDB: Largest compute 7060 load 0.032367 is 16.6% of average load 0.195209 LDB: Average compute 0.004381 is 2.2% of average load 0.195209 LDB: TIME 1466.76 LOAD: AVG 0.195209 MAX 0.212206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.051 MB LDB: TIME 1466.76 LOAD: AVG 0.195209 MAX 0.212206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.051 MB LDB: TIME 1466.76 LOAD: AVG 0.195209 MAX 0.212206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.051 MB LDB: ============== END OF LOAD BALANCING =============== 1466.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1466.76 PRESSURE: 460400 -415.491 64.4134 -90.4099 64.4141 -106.114 -176.487 -90.41 -176.487 -49.1078 GPRESSURE: 460400 -422.46 -3.30666 -50.1377 16.65 -6.27645 -110.571 -110.322 -274.482 -40.8451 PRESSAVG: 460400 12.3371 -2.49567 -21.721 -2.49566 42.1333 -27.4619 -21.721 -27.462 10.7712 GPRESSAVG: 460400 13.1377 -3.76298 -21.7069 -5.1969 41.7534 -28.1954 -21.6181 -28.8151 11.1113 TIMING: 460400 CPU: 1454.55, 0.00321503/step Wall: 1454.55, 0.00321503/step, 4.05415 hours remaining, 232.355469 MB of memory in use. ENERGY: 460400 4058.3351 20539.6770 14513.8953 245.8182 -203343.8608 2778.9045 0.0000 0.0000 52371.3664 -108835.8643 300.9790 -161207.2307 -108465.0392 300.2624 -190.2375 -156.5272 761858.2096 21.7472 22.0008 PRESSURE: 460600 127.168 -182.216 19.843 -182.217 333.775 -128.868 19.8427 -128.868 -47.6788 GPRESSURE: 460600 149.022 -96.6283 57.912 -163.075 304.367 -115.844 84.4303 -176.25 27.7666 PRESSAVG: 460600 -71.9861 -26.8541 -4.5391 -26.854 67.6576 10.8513 -4.53903 10.8513 -5.05742 GPRESSAVG: 460600 -73.8409 -26.3274 -3.62147 -24.84 67.8198 11.9462 -3.80222 10.9237 -4.4513 TIMING: 460600 CPU: 1455.18, 0.00314466/step Wall: 1455.18, 0.00314466/step, 3.96524 hours remaining, 232.394531 MB of memory in use. ENERGY: 460600 4094.3459 20512.8012 14459.9937 243.1177 -203490.0359 3001.0254 0.0000 0.0000 52319.9022 -108858.8498 300.6832 -161178.7521 -108503.7568 300.3589 137.7549 160.3851 761482.9013 -3.1286 -3.4908 PRESSURE: 460800 -108.655 13.4115 -124.703 13.4111 -255.872 155.61 -124.702 155.61 -112.881 GPRESSURE: 460800 -54.2534 59.0884 -194.065 -170.932 -205.32 41.4153 -11.6465 134.789 -109.534 PRESSAVG: 460800 7.45982 10.8367 14.3032 10.8367 23.5091 -12.2227 14.3031 -12.2227 3.36839 GPRESSAVG: 460800 7.41151 11.402 13.0649 11.3285 25.7458 -14.3352 14.846 -12.2494 1.63914 TIMING: 460800 CPU: 1455.81, 0.00315843/step Wall: 1455.81, 0.00315843/step, 3.98243 hours remaining, 232.394531 MB of memory in use. ENERGY: 460800 4146.1530 20586.7886 14496.5533 276.1853 -203052.2167 2710.9677 0.0000 0.0000 52145.7193 -108689.8495 299.6822 -160835.5688 -108331.6994 300.1012 -159.1362 -123.0357 762625.5436 11.4458 11.5988 PRESSURE: 461000 -198.103 -48.5572 263.145 -48.5572 -305.013 -58.1559 263.145 -58.1568 -93.4858 GPRESSURE: 461000 -94.4247 -19.9407 147.688 -51.4107 -269.65 59.229 276.953 -117.528 -141.027 PRESSAVG: 461000 -18.7659 7.25004 30.7606 7.25002 39.0278 15.9219 30.7606 15.922 6.91351 GPRESSAVG: 461000 -19.7387 9.00036 31.7674 5.33533 38.6336 17.7174 29.9638 15.7674 8.44315 TIMING: 461000 CPU: 1456.45, 0.00320078/step Wall: 1456.45, 0.00320078/step, 4.03565 hours remaining, 232.394531 MB of memory in use. ENERGY: 461000 4121.5507 20684.3174 14501.0322 243.2543 -203294.4157 2583.0324 0.0000 0.0000 52421.8775 -108739.3512 301.2693 -161161.2288 -108380.5240 300.4657 -198.8675 -168.3671 763298.4804 9.0585 9.1127 PRESSURE: 461200 -185.201 -16.6443 93.9754 -16.6439 -326.353 58.6267 93.9746 58.6271 43.2146 GPRESSURE: 461200 -181.403 -50.4553 69.2138 76.1108 -252.229 73.9711 80.8067 119.911 30.2516 PRESSAVG: 461200 -39.6317 -18.3222 45.207 -18.3222 -6.68037 -12.9321 45.2069 -12.9321 3.03811 GPRESSAVG: 461200 -38.3751 -20.9152 44.5142 -17.6481 -6.53423 -12.8277 44.5112 -12.7137 1.54233 TIMING: 461200 CPU: 1457.08, 0.00318475/step Wall: 1457.08, 0.00318475/step, 4.01526 hours remaining, 232.394531 MB of memory in use. ENERGY: 461200 4079.6837 20654.2755 14426.4980 247.1269 -202925.8171 2428.9332 0.0000 0.0000 52367.5154 -108721.7844 300.9568 -161089.2998 -108365.3107 300.4294 -156.1130 -134.4602 763421.9611 -14.4246 -14.4557 PRESSURE: 461400 191.67 -110.854 191.054 -110.854 86.3079 -17.0272 191.054 -17.0275 188.519 GPRESSURE: 461400 314.649 -22.8106 244.885 -120.782 46.9167 -14.6109 228.984 -150.218 186.62 PRESSAVG: 461400 5.67948 9.32694 -0.217779 9.32695 18.1377 38.4466 -0.217815 38.4465 -6.8151 GPRESSAVG: 461400 4.15806 9.01713 -0.211663 9.63465 17.8686 37.6953 -0.033464 39.7159 -5.69065 TIMING: 461400 CPU: 1457.72, 0.00319675/step Wall: 1457.72, 0.00319675/step, 4.03021 hours remaining, 232.394531 MB of memory in use. ENERGY: 461400 4016.6211 20449.7210 14463.9498 246.7829 -203000.7817 2844.4857 0.0000 0.0000 52135.1977 -108844.0234 299.6217 -160979.2212 -108468.9363 300.1780 155.4991 182.7286 764633.7530 5.6674 5.4454 PRESSURE: 461600 -124.82 68.963 -114.223 68.9637 -199.964 143.962 -114.223 143.961 196.424 GPRESSURE: 461600 -114.307 -0.507887 -100.919 173.338 -158.297 183.643 -149.486 124.98 233.969 PRESSAVG: 461600 -9.61582 39.9378 -14.0016 39.9378 -8.57197 -11.8395 -14.0016 -11.8395 5.82129 GPRESSAVG: 461600 -9.52991 39.6552 -13.0276 38.6913 -9.1189 -12.6186 -12.8304 -10.3945 6.66569 TIMING: 461600 CPU: 1458.35, 0.00315066/step Wall: 1458.35, 0.00315066/step, 3.97193 hours remaining, 232.394531 MB of memory in use. ENERGY: 461600 4050.4914 20662.6765 14502.5172 243.6233 -203056.8037 2771.1437 0.0000 0.0000 51859.5808 -108966.7708 298.0377 -160826.3516 -108606.1490 299.3590 -42.7866 -12.8783 764237.3962 -4.1222 -3.9944 PRESSURE: 461800 -52.9216 -191.828 193.099 -191.827 206.552 -221.71 193.099 -221.71 163.786 GPRESSURE: 461800 23.4936 -169.929 151.23 21.8877 234.16 -313.048 213.8 -256.166 127.629 PRESSAVG: 461800 -62.5784 -2.74351 13.2992 -2.74349 48.2554 8.534 13.2992 8.53398 10.8449 GPRESSAVG: 461800 -61.5197 -3.30066 13.3174 -0.244757 48.7516 10.1508 10.1493 6.00926 9.27738 TIMING: 461800 CPU: 1458.98, 0.00315026/step Wall: 1458.98, 0.00315026/step, 3.97125 hours remaining, 232.394531 MB of memory in use. ENERGY: 461800 3925.0851 20585.8849 14544.4451 253.1123 -203152.8111 2728.7632 0.0000 0.0000 51871.6246 -109243.8959 298.1069 -161115.5205 -108894.2217 298.8913 105.8055 128.4277 763804.0022 -1.1594 -1.1636 PRESSURE: 462000 -34.6259 120.152 82.1084 120.151 -36.3766 17.5447 82.1084 17.5452 -227.039 GPRESSURE: 462000 -110.668 16.6425 49.4013 61.6469 114.904 46.0946 117.079 94.9808 -211.368 PRESSAVG: 462000 -36.6167 31.5491 20.9344 31.549 -16.2205 13.0657 20.9344 13.0658 -5.09886 GPRESSAVG: 462000 -36.8071 32.6415 21.0518 29.0815 -15.5511 11.0073 22.4228 12.9024 -5.55311 TIMING: 462000 CPU: 1459.61, 0.00315245/step Wall: 1459.61, 0.00315245/step, 3.97384 hours remaining, 232.394531 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: 462000 3956.6449 20492.4687 14502.5789 247.1546 -203614.1290 2985.7717 0.0000 0.0000 52104.4494 -109325.0608 299.4450 -161429.5101 -108961.9747 298.6633 -99.3472 -69.0436 765497.8523 -19.3120 -19.3038 PRESSURE: 462200 -226.161 263.208 51.8752 263.209 -138.373 140.971 51.8752 140.971 -68.4937 GPRESSURE: 462200 -226.306 247.168 97.1652 128.308 -120.681 157.404 -23.0988 35.5415 -20.487 PRESSAVG: 462200 1.93557 60.2624 -40.4227 60.2623 55.5797 15.3638 -40.4227 15.3639 -6.85744 GPRESSAVG: 462200 0.510231 60.8295 -41.4727 59.2384 55.2596 16.4657 -40.4165 15.514 -5.43199 TIMING: 462200 CPU: 1460.25, 0.00318005/step Wall: 1460.25, 0.00318005/step, 4.00845 hours remaining, 232.394531 MB of memory in use. ENERGY: 462200 3945.8476 20391.5209 14537.7327 235.4208 -202982.6428 2461.2459 0.0000 0.0000 52008.3053 -109402.5695 298.8924 -161410.8748 -109043.0045 298.4182 -144.3424 -122.4912 761964.3466 16.8859 16.7793 PRESSURE: 462400 -22.3132 -114.106 -258.988 -114.105 327.292 46.0219 -258.988 46.022 239.398 GPRESSURE: 462400 72.0821 -11.5837 -233.942 -101.107 309.396 121.232 -91.385 75.7882 264.172 PRESSAVG: 462400 -23.0738 -23.3101 -53.9636 -23.3102 13.5304 6.97394 -53.9636 6.97392 -3.23292 GPRESSAVG: 462400 -22.0242 -22.6076 -52.2303 -20.8952 12.354 8.15398 -52.9752 6.81351 -3.19072 TIMING: 462400 CPU: 1460.89, 0.0031765/step Wall: 1460.89, 0.0031765/step, 4.0038 hours remaining, 232.394531 MB of memory in use. ENERGY: 462400 3984.3947 20401.5029 14512.4133 251.7194 -203280.1327 2395.2693 0.0000 0.0000 52129.1080 -109605.7251 299.5867 -161734.8331 -109239.2995 298.3803 181.4591 215.2168 760171.7596 -4.2588 -4.2870 PRESSURE: 462600 -295.494 11.9724 -11.6098 11.9726 38.9361 -80.0866 -11.6101 -80.0858 -306.445 GPRESSURE: 462600 -284.811 2.31629 -64.859 99.2373 5.16597 -30.1561 -93.8378 -120.704 -214.541 PRESSAVG: 462600 -31.0068 -5.00589 19.3368 -5.00587 39.8267 -40.6986 19.3368 -40.6986 -9.6286 GPRESSAVG: 462600 -31.1459 -4.34113 18.1193 -6.96453 39.7273 -40.5184 18.293 -39.2674 -9.1655 TIMING: 462600 CPU: 1461.52, 0.0031949/step Wall: 1461.52, 0.0031949/step, 4.02681 hours remaining, 232.394531 MB of memory in use. ENERGY: 462600 3976.8816 20534.5460 14525.4907 252.5013 -203290.7393 2483.4542 0.0000 0.0000 51718.1725 -109799.6930 297.2250 -161517.8655 -109439.5915 298.3994 -187.6674 -164.7284 761169.4272 -0.2696 -0.1947 PRESSURE: 462800 -350.806 -6.95732 -48.9021 -6.95681 44.2305 -287.797 -48.9015 -287.797 192.651 GPRESSURE: 462800 -238.643 19.8061 -96.2964 -11.2471 85.7904 -314.308 -125.472 -206.396 127.2 PRESSAVG: 462800 5.58592 -28.8966 -36.8076 -28.8966 25.4061 -30.6603 -36.8076 -30.6604 -19.5233 GPRESSAVG: 462800 4.59823 -30.3937 -35.8632 -27.2543 26.6817 -29.7158 -35.906 -31.1015 -19.8285 TIMING: 462800 CPU: 1462.16, 0.00319662/step Wall: 1462.16, 0.00319662/step, 4.02881 hours remaining, 232.394531 MB of memory in use. ENERGY: 462800 4023.8814 20650.6606 14498.1867 236.8431 -203371.6536 2548.8408 0.0000 0.0000 51833.0431 -109580.1979 297.8852 -161413.2410 -109233.7923 298.4716 -37.9748 -8.5509 760378.2103 3.8229 3.8172 PRESSURE: 463000 98.7881 52.6293 110.729 52.6309 105.283 -92.7074 110.729 -92.7076 -231.03 GPRESSURE: 463000 113.033 67.3377 77.6435 62.6032 163.527 -85.1151 122.52 -145.488 -207.17 PRESSAVG: 463000 -55.8056 -10.3903 -9.45774 -10.3902 54.2454 -2.03012 -9.45782 -2.03006 -2.64505 GPRESSAVG: 463000 -55.4595 -10.0925 -9.38544 -9.84136 53.5095 -2.1341 -11.2066 -2.77699 -3.25235 TIMING: 463000 CPU: 1462.79, 0.00315382/step Wall: 1462.79, 0.00315382/step, 3.97469 hours remaining, 232.394531 MB of memory in use. ENERGY: 463000 4034.2096 20441.5140 14472.3251 235.6725 -202894.9890 2333.7449 0.0000 0.0000 51970.9815 -109406.5413 298.6779 -161377.5229 -109044.6755 298.7966 -8.9865 23.1300 761314.2507 -1.4018 -1.7341 PRESSURE: 463200 -152.433 147.248 -38.1692 147.248 -94.6884 -198.53 -38.1699 -198.531 329.972 GPRESSURE: 463200 -44.3094 136.438 -59.6828 198.898 -87.937 -239.507 62.5645 -106.739 280.439 PRESSAVG: 463200 26.8605 64.0302 -44.8446 64.0301 11.564 -6.35997 -44.8446 -6.36004 1.41134 GPRESSAVG: 463200 27.9326 63.2017 -45.9384 63.7891 10.9999 -7.80919 -42.5847 -5.01744 0.385773 TIMING: 463200 CPU: 1463.43, 0.00318014/step Wall: 1463.43, 0.00318014/step, 4.00769 hours remaining, 232.394531 MB of memory in use. ENERGY: 463200 3953.6159 20542.6231 14462.2733 242.5035 -203153.9280 2393.1387 0.0000 0.0000 52093.8732 -109465.9004 299.3842 -161559.7736 -109109.5477 298.8857 27.6167 49.3976 762982.8240 13.2786 13.1061 PRESSURE: 463400 -28.8227 -139.525 -59.5536 -139.525 245.511 239.47 -59.5536 239.47 64.2607 GPRESSURE: 463400 57.0338 -140.688 -8.78819 -129.09 188.573 278.242 -84.9034 289.628 104.56 PRESSAVG: 463400 -34.6269 7.06952 -61.7172 7.06946 26.9237 0.955708 -61.7172 0.955704 0.345957 GPRESSAVG: 463400 -34.5045 7.88821 -60.705 7.36982 25.7329 0.0778401 -63.3448 1.09774 0.872047 TIMING: 463400 CPU: 1464.07, 0.00318926/step Wall: 1464.07, 0.00318926/step, 4.019 hours remaining, 232.394531 MB of memory in use. ENERGY: 463400 3951.2327 20450.3595 14491.5943 258.0278 -203263.3333 2785.1683 0.0000 0.0000 51820.5780 -109506.3727 297.8136 -161326.9507 -109141.1004 299.1206 93.6496 116.7223 761941.7257 -2.4524 -2.6332 PRESSURE: 463600 -29.1186 169.212 83.9853 169.212 -87.8929 166.681 83.9855 166.681 191.851 GPRESSURE: 463600 -9.43517 -11.607 14.5632 168.944 -50.2009 186.118 134.081 -10.8997 207.167 PRESSAVG: 463600 -22.0976 -40.0369 -56.1331 -40.037 4.51145 9.17936 -56.1331 9.17938 9.10503 GPRESSAVG: 463600 -23.3802 -40.3118 -57.632 -40.8578 5.33859 10.3657 -55.7983 8.93297 9.62612 TIMING: 463600 CPU: 1464.7, 0.00313975/step Wall: 1464.7, 0.00313975/step, 3.95644 hours remaining, 232.394531 MB of memory in use. ENERGY: 463600 3971.4378 20444.2906 14513.2324 251.3748 -202989.0955 2405.6308 0.0000 0.0000 52033.5605 -109369.5686 299.0376 -161403.1292 -109004.6132 298.6221 24.9464 49.1771 761536.3073 -2.8271 -2.8052 PRESSURE: 463800 -201.794 -96.4054 -232.351 -96.4052 -91.0013 -172.748 -232.35 -172.747 -168.229 GPRESSURE: 463800 -169.08 -53.6598 -230.208 -121.316 -78.602 -170.43 -385.826 -107.443 -123.964 PRESSAVG: 463800 -82.2091 11.2847 -14.6286 11.2847 44.6117 31.2546 -14.6286 31.2545 -9.52051 GPRESSAVG: 463800 -83.4178 10.625 -12.7694 10.5756 45.5469 32.8713 -14.3779 29.007 -9.11733 TIMING: 463800 CPU: 1465.32, 0.00313874/step Wall: 1465.32, 0.00313874/step, 3.95498 hours remaining, 232.394531 MB of memory in use. ENERGY: 463800 4002.4477 20633.7073 14387.7154 232.5485 -203062.3932 2299.9762 0.0000 0.0000 51985.7670 -109520.2311 298.7629 -161505.9981 -109164.4151 298.4932 -153.6746 -123.8821 762204.0526 -15.7060 -15.6627 PRESSURE: 464000 -165.655 -51.2369 -25.583 -51.2375 89.3412 -0.517904 -25.5828 -0.517626 -76.7116 GPRESSURE: 464000 -234.264 -71.3589 31.5758 -108.498 140.175 20.5495 -45.9383 -84.4084 34.6474 PRESSAVG: 464000 -67.006 -31.407 -3.12483 -31.407 30.4224 -33.9802 -3.12491 -33.9803 6.97931 GPRESSAVG: 464000 -64.0829 -32.1502 -5.81293 -32.6047 28.9618 -35.5017 -3.16839 -33.6106 5.85577 TIMING: 464000 CPU: 1465.96, 0.00316474/step Wall: 1465.96, 0.00316474/step, 3.98758 hours remaining, 232.394531 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: 464000 3966.3069 20590.3850 14454.6928 260.1385 -203164.1349 2672.8135 0.0000 0.0000 51827.8746 -109391.9235 297.8555 -161219.7981 -109041.1310 298.8301 -51.0085 -19.8139 762676.3039 -9.8681 -9.7551 PRESSURE: 464200 -309.557 -2.83817 -210.062 -2.83801 197.095 -18.3445 -210.061 -18.3454 189.729 GPRESSURE: 464200 -302.322 -23.4796 -271.849 25.9085 235.592 95.992 -71.0472 -99.6411 230 PRESSAVG: 464200 -57.5573 44.8456 -22.0159 44.8456 55.5499 -12.3821 -22.0159 -12.3821 12.5244 GPRESSAVG: 464200 -59.4852 45.8965 -20.3874 46.0059 56.4394 -12.0575 -22.0251 -10.2181 13.2946 TIMING: 464200 CPU: 1466.59, 0.00315203/step Wall: 1466.59, 0.00315203/step, 3.97138 hours remaining, 232.394531 MB of memory in use. ENERGY: 464200 3942.2464 20656.9981 14517.9974 229.0527 -203289.5117 2531.1246 0.0000 0.0000 51997.2891 -109414.8034 298.8291 -161412.0925 -109060.8184 298.7985 25.7556 54.4234 760396.2163 3.5057 3.4162 LDB: ============= START OF LOAD BALANCING ============== 1479.12 LDB: ============== END OF LOAD BALANCING =============== 1479.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1479.12 LDB: ============= START OF LOAD BALANCING ============== 1479.44 LDB: Largest compute 7060 load 0.033404 is 17.1% of average load 0.195205 LDB: Average compute 0.004394 is 2.3% of average load 0.195205 LDB: TIME 1479.45 LOAD: AVG 0.195205 MAX 0.215774 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.93 MB LDB: TIME 1479.45 LOAD: AVG 0.195205 MAX 0.215774 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: TIME 1479.45 LOAD: AVG 0.195205 MAX 0.215774 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.93 MB LDB: ============== END OF LOAD BALANCING =============== 1479.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1479.45 PRESSURE: 464400 -376.521 99.8387 180.028 99.8387 191.237 11.7099 180.029 11.7093 -109.472 GPRESSURE: 464400 -308.136 108.829 166.08 132.449 193.81 17.6582 31.4514 21.1473 -98.3731 PRESSAVG: 464400 0.220373 -37.6212 -16.0169 -37.6212 28.629 -9.98196 -16.0169 -9.98201 -8.32779 GPRESSAVG: 464400 0.653575 -36.422 -15.9774 -37.3539 28.1945 -10.893 -16.7155 -9.75138 -8.45175 TIMING: 464400 CPU: 1467.24, 0.00324378/step Wall: 1467.24, 0.00324378/step, 4.0868 hours remaining, 233.125000 MB of memory in use. ENERGY: 464400 4034.8901 20552.4906 14495.2918 249.0023 -203141.9961 2460.5504 0.0000 0.0000 51912.7416 -109437.0292 298.3432 -161349.7708 -109070.9149 298.9295 -98.2520 -70.8997 761195.9016 6.8405 6.7988 PRESSURE: 464600 235.085 -180.966 73.149 -180.966 -21.6209 -0.0705271 73.1492 -0.0711423 -219.106 GPRESSURE: 464600 235.025 -117.191 39.8285 -187.376 -13.0001 78.6573 17.4653 -121.402 -135.593 PRESSAVG: 464600 -11.7082 -25.5281 15.0217 -25.528 -1.70877 -19.4588 15.0218 -19.4587 -2.38224 GPRESSAVG: 464600 -11.1638 -26.9221 16.034 -27.6904 -1.89156 -19.5901 15.7207 -19.633 -2.65714 TIMING: 464600 CPU: 1467.88, 0.00319307/step Wall: 1467.88, 0.00319307/step, 4.02274 hours remaining, 233.125000 MB of memory in use. ENERGY: 464600 4030.6174 20516.1891 14521.4567 246.0132 -203287.8016 2763.9521 0.0000 0.0000 51932.1013 -109277.4718 298.4545 -161209.5731 -108906.5901 298.8357 -1.8807 28.8108 762387.9344 -5.2664 -5.2375 PRESSURE: 464800 -60.0176 -115.026 -11.7074 -115.026 121.555 53.6303 -11.7075 53.6306 28.8911 GPRESSURE: 464800 -3.96766 -121.459 24.8743 -69.5172 148.684 67.2455 20.0974 -24.2555 15.566 PRESSAVG: 464800 -3.03039 -30.6333 -3.69178 -30.6333 14.2528 16.3488 -3.69174 16.3488 -3.06803 GPRESSAVG: 464800 -2.99105 -32.2245 -3.68062 -28.297 14.3538 15.6978 -2.79479 17.029 -2.78806 TIMING: 464800 CPU: 1468.52, 0.00321166/step Wall: 1468.52, 0.00321166/step, 4.04598 hours remaining, 233.125000 MB of memory in use. ENERGY: 464800 3908.5075 20519.8446 14459.4530 257.4271 -203222.3147 2719.7356 0.0000 0.0000 52172.0609 -109185.2859 299.8336 -161357.3469 -108823.3444 299.2529 30.1429 53.4275 763076.2981 2.7181 2.8582 PRESSURE: 465000 -55.303 115.163 -237.301 115.163 109.358 74.9529 -237.301 74.9531 -302.261 GPRESSURE: 465000 -41.7871 264.391 -198.594 -14.2092 170.382 8.05672 -137.298 108.081 -293.762 PRESSAVG: 465000 -29.7686 -98.5218 -16.2554 -98.5218 39.2474 -60.0355 -16.2555 -60.0355 4.00485 GPRESSAVG: 465000 -30.0154 -97.6551 -16.6152 -99.5273 40.0573 -59.3483 -16.4463 -59.2994 3.80288 TIMING: 465000 CPU: 1469.15, 0.00316698/step Wall: 1469.15, 0.00316698/step, 3.98951 hours remaining, 233.125000 MB of memory in use. ENERGY: 465000 4037.1068 20517.1444 14524.6578 242.1003 -203196.2073 2827.7435 0.0000 0.0000 51978.7094 -109068.7451 298.7224 -161047.4546 -108700.2172 298.8612 -82.7355 -55.0558 764467.5471 4.4945 4.6149 PRESSURE: 465200 -173.183 42.8925 -2.87733 42.8934 -322.792 -62.7362 -2.87791 -62.7359 10.1705 GPRESSURE: 465200 -171.257 -131.377 -8.13462 -91.7506 -140.421 41.0183 -54.7753 -57.662 -97.6344 PRESSAVG: 465200 -48.9835 -22.0765 -31.1287 -22.0765 24.3892 -24.6667 -31.1287 -24.6666 -13.2964 GPRESSAVG: 465200 -48.9575 -20.0809 -33.0592 -22.8821 24.7834 -23.7674 -29.7609 -25.0935 -13.4696 TIMING: 465200 CPU: 1469.79, 0.00317697/step Wall: 1469.79, 0.00317698/step, 4.00193 hours remaining, 233.125000 MB of memory in use. ENERGY: 465200 3998.6661 20611.3800 14501.3076 232.4199 -203135.3720 2487.7133 0.0000 0.0000 52010.9569 -109292.9283 298.9077 -161303.8852 -108933.8907 298.7573 -161.9347 -136.4376 763152.5628 -12.6302 -12.5479 PRESSURE: 465400 -140.075 53.2472 107.041 53.2471 -13.9101 22.2484 107.041 22.248 -229.204 GPRESSURE: 465400 -18.6723 -53.7277 46.2913 -11.1807 -86.8669 -9.05188 -40.0604 132.603 -180.13 PRESSAVG: 465400 11.298 -16.5008 -25.2717 -16.5008 22.591 21.1015 -25.2717 21.1014 -4.70863 GPRESSAVG: 465400 12.3829 -19.5363 -22.8968 -15.0966 21.0602 21.1579 -27.2737 22.1744 -3.7591 TIMING: 465400 CPU: 1470.42, 0.00317678/step Wall: 1470.42, 0.00317678/step, 4.00151 hours remaining, 233.125000 MB of memory in use. ENERGY: 465400 4056.4266 20377.2150 14504.2123 258.8323 -202858.6530 2671.5534 0.0000 0.0000 51892.0882 -109098.3252 298.2245 -160990.4134 -108741.5723 299.6117 -127.7297 -95.2231 761898.3289 9.7268 9.8947 PRESSURE: 465600 -91.6471 -73.9118 -124.613 -73.9122 145.726 41.1736 -124.612 41.1731 495.598 GPRESSURE: 465600 -8.6102 -44.3296 -122.168 -228.781 238.152 -8.5704 -4.37836 -13.9339 410.825 PRESSAVG: 465600 -72.7016 -44.2435 -35.1423 -44.2434 43.4614 -28.6154 -35.1423 -28.6154 10.7736 GPRESSAVG: 465600 -73.8062 -43.4548 -35.49 -43.1946 43.9032 -30.3079 -34.6493 -29.0977 10.8539 TIMING: 465600 CPU: 1471.05, 0.00316432/step Wall: 1471.05, 0.00316432/step, 3.98564 hours remaining, 233.125000 MB of memory in use. ENERGY: 465600 4045.8111 20419.9955 14514.5317 242.2364 -203458.5033 2977.7890 0.0000 0.0000 52229.1075 -109029.0320 300.1614 -161258.1395 -108666.9111 299.5397 183.2257 213.4554 762341.9324 -6.1555 -6.3497 PRESSURE: 465800 -243.882 -266.426 -200.359 -266.426 168.806 106.215 -200.359 106.215 -255.788 GPRESSURE: 465800 -181.716 -199.507 -161.381 -323.128 174.559 116.594 -240.725 217.906 -241.919 PRESSAVG: 465800 -52.1113 -74.5816 11.2541 -74.5817 56.713 -21.9951 11.2541 -21.9951 7.48705 GPRESSAVG: 465800 -52.2777 -72.5519 9.53625 -74.8341 58.0606 -20.589 13.2426 -22.5194 6.88314 TIMING: 465800 CPU: 1471.69, 0.00316894/step Wall: 1471.69, 0.00316894/step, 3.99128 hours remaining, 233.125000 MB of memory in use. ENERGY: 465800 3926.6325 20597.4447 14471.6911 259.9423 -203003.3504 2706.2504 0.0000 0.0000 51844.6856 -109196.7038 297.9521 -161041.3894 -108837.0430 299.4178 -110.2877 -83.0252 762536.4130 4.0296 4.2220 PRESSURE: 466000 -65.8309 132.96 2.66925 132.96 -191.358 -110.469 2.66921 -110.472 -31.1427 GPRESSURE: 466000 -35.7299 78.703 -29.3934 225.472 -138.678 -76.9623 -3.44403 -192.009 -28.2188 PRESSAVG: 466000 -13.3404 -32.9796 23.8295 -32.9795 17.3203 4.31368 23.8295 4.31374 -16.6875 GPRESSAVG: 466000 -12.7523 -34.9074 24.029 -32.9495 16.6701 5.18321 23.3606 3.97383 -16.9545 TIMING: 466000 CPU: 1472.32, 0.00316255/step Wall: 1472.32, 0.00316255/step, 3.98306 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: 466000 4081.5782 20520.8127 14485.5426 251.7084 -203493.4150 2735.0324 0.0000 0.0000 52310.6016 -109108.1391 300.6297 -161418.7407 -108741.8786 299.6047 -96.1106 -67.5421 761149.1376 -4.2359 -4.3456 PRESSURE: 466200 -424.733 27.2716 108.505 27.2715 64.7254 -181.206 108.505 -181.207 68.9268 GPRESSURE: 466200 -343.096 -44.9516 140.803 40.1468 29.9822 -241.955 -43.7277 -59.5552 108.558 PRESSAVG: 466200 4.21362 -66.5971 -36.2658 -66.597 -13.2957 -44.107 -36.2658 -44.107 -1.77708 GPRESSAVG: 466200 4.48732 -64.9985 -35.2656 -66.2713 -12.7641 -44.94 -37.165 -46.3031 -2.75795 TIMING: 466200 CPU: 1472.96, 0.00318122/step Wall: 1472.96, 0.00318122/step, 4.00639 hours remaining, 233.125000 MB of memory in use. ENERGY: 466200 4031.8526 20586.6074 14521.4053 266.8209 -203267.5848 2736.5685 0.0000 0.0000 51934.4240 -109189.9061 298.4678 -161124.3302 -108830.3164 300.1757 -97.0270 -68.1852 763010.9991 -3.6197 -3.6782 PRESSURE: 466400 -313.345 208.781 8.03935 208.781 -112.515 165.719 8.03965 165.72 -429.609 GPRESSURE: 466400 -223.658 198.205 39.839 172.26 -127.086 183.495 -51.2607 92.0185 -404.22 PRESSAVG: 466400 -9.48536 -55.3768 70.7115 -55.3768 14.7112 -16.7714 70.7115 -16.7713 12.0811 GPRESSAVG: 466400 -9.95251 -55.3003 72.0858 -56.4474 14.1735 -15.5575 69.0833 -15.7192 13.3332 TIMING: 466400 CPU: 1473.59, 0.0031595/step Wall: 1473.59, 0.0031595/step, 3.97886 hours remaining, 233.125000 MB of memory in use. ENERGY: 466400 4074.1645 20595.1506 14535.2091 237.1762 -203184.4882 2527.4154 0.0000 0.0000 52043.3490 -109172.0234 299.0938 -161215.3725 -108810.1284 299.2803 -285.1566 -251.6547 762131.4772 5.7690 5.8514 PRESSURE: 466600 107.892 -49.579 -162.014 -49.5786 -230.115 -4.4592 -162.015 -4.45866 -244.125 GPRESSURE: 466600 87.9803 -71.0278 -93.1313 -83.0908 -183.759 123.287 -141.727 63.7233 -196.244 PRESSAVG: 466600 6.96865 -24.0552 -37.6134 -24.0552 -6.24596 23.5867 -37.6134 23.5867 14.8983 GPRESSAVG: 466600 6.32956 -25.1072 -41.4248 -22.8604 -5.74816 26.0329 -37.7371 22.6239 15.3273 TIMING: 466600 CPU: 1474.22, 0.00316862/step Wall: 1474.22, 0.00316862/step, 3.99017 hours remaining, 233.125000 MB of memory in use. ENERGY: 466600 4039.2382 20767.1791 14439.4032 254.8996 -203359.7119 2619.9798 0.0000 0.0000 52107.9949 -109131.0171 299.4654 -161239.0120 -108780.7155 299.6077 -122.1162 -97.3409 762385.8575 5.2070 5.3029 PRESSURE: 466800 -81.3839 -114.769 -36.4249 -114.768 -88.3834 -183.995 -36.4261 -183.994 50.1304 GPRESSURE: 466800 -47.6635 10.1045 -36.5597 64.097 -126.956 -276.952 -16.4181 -167.062 121.038 PRESSAVG: 466800 64.1836 -11.735 11.8053 -11.735 -4.19106 -3.97821 11.8053 -3.97818 4.17975 GPRESSAVG: 466800 64.0991 -10.4633 15.4054 -11.5629 -4.20893 -6.68775 10.5032 -3.78515 3.868 TIMING: 466800 CPU: 1474.85, 0.00315042/step Wall: 1474.85, 0.00315042/step, 3.96708 hours remaining, 233.125000 MB of memory in use. ENERGY: 466800 4016.3769 20720.7149 14438.3017 253.9459 -203697.0876 2783.8580 0.0000 0.0000 52331.1325 -109152.7577 300.7477 -161483.8902 -108782.5464 299.3265 -39.8790 -17.8603 760806.7725 21.3908 21.2527 PRESSURE: 467000 133.42 44.5524 102.114 44.5531 -160.317 -154.436 102.114 -154.435 256.403 GPRESSURE: 467000 170.76 119.52 141.309 10.3523 -98.9524 -101.47 78.8708 -2.20265 249.715 PRESSAVG: 467000 -4.51762 -22.0835 -12.1043 -22.0835 -29.7631 -48.4696 -12.1042 -48.4696 -8.70107 GPRESSAVG: 467000 -3.5565 -20.2799 -12.7159 -22.2382 -30.4707 -49.102 -11.12 -45.6889 -8.44802 TIMING: 467000 CPU: 1475.49, 0.00319204/step Wall: 1475.49, 0.00319204/step, 4.01931 hours remaining, 233.125000 MB of memory in use. ENERGY: 467000 3976.3010 20510.6710 14427.7074 231.7109 -203264.1814 2769.9160 0.0000 0.0000 52206.6903 -109141.1847 300.0326 -161347.8751 -108779.4373 299.8256 76.5021 107.1740 761508.8347 -14.3273 -14.1584 PRESSURE: 467200 -8.53315 87.0355 -115.872 87.0368 -8.46229 -61.1389 -115.872 -61.1395 542.686 GPRESSURE: 467200 -26.8676 -70.619 -108.168 32.2578 91.645 -50.7431 -129.604 -47.347 542.919 PRESSAVG: 467200 19.859 -26.0908 -20.965 -26.0908 27.4019 -12.2311 -20.9649 -12.2311 6.31468 GPRESSAVG: 467200 18.6588 -28.6389 -21.8575 -25.8307 28.4931 -11.1863 -19.6912 -12.3493 6.19493 TIMING: 467200 CPU: 1476.13, 0.00318491/step Wall: 1476.13, 0.00318491/step, 4.01015 hours remaining, 233.125000 MB of memory in use. ENERGY: 467200 3971.8383 20609.5783 14456.9409 238.8090 -203201.8913 2733.0315 0.0000 0.0000 52152.0259 -109039.6674 299.7184 -161191.6933 -108678.5483 299.7497 175.2303 202.5654 761299.5269 17.8585 17.7823 PRESSURE: 467400 161.371 -122.648 1.22793 -122.648 520.035 119.952 1.22894 119.954 226.748 GPRESSURE: 467400 167.415 -74.9216 -35.4365 -120.373 529.143 107.405 82.5808 52.0034 297.566 PRESSAVG: 467400 -13.3525 0.452278 -45.5563 0.452314 14.7605 -20.6361 -45.5564 -20.636 -10.8737 GPRESSAVG: 467400 -14.143 0.497203 -45.4967 -1.46625 13.3734 -21.4508 -45.3778 -23.6227 -9.21304 TIMING: 467400 CPU: 1476.76, 0.00317575/step Wall: 1476.76, 0.00317575/step, 3.99844 hours remaining, 233.125000 MB of memory in use. ENERGY: 467400 3908.8913 20474.5397 14467.4998 242.7979 -203278.1300 2871.1028 0.0000 0.0000 52195.7576 -109117.5407 299.9697 -161313.2983 -108752.3634 299.6818 302.7182 331.3744 761691.1822 -3.1552 -3.3276 PRESSURE: 467600 347.444 41.3122 -50.9323 41.3113 -280.629 19.1708 -50.9327 19.1712 296.91 GPRESSURE: 467600 333.722 96.9421 -41.4568 -39.9997 -158.006 -76.4522 -40.4361 -35.8043 301.855 PRESSAVG: 467600 -11.7411 -5.74327 15.4921 -5.74331 1.49814 -35.6225 15.4921 -35.6224 -24.6245 GPRESSAVG: 467600 -9.80546 -6.89829 16.3161 -5.5555 1.29745 -34.2962 15.2964 -35.7155 -26.4164 TIMING: 467600 CPU: 1477.4, 0.00320077/step Wall: 1477.4, 0.00320077/step, 4.02977 hours remaining, 233.125000 MB of memory in use. ENERGY: 467600 3977.2372 20466.4837 14466.8093 252.5600 -203096.9940 2749.6204 0.0000 0.0000 52031.2565 -109153.0267 299.0243 -161184.2832 -108793.6814 299.9077 121.2417 159.1904 762193.1656 -11.6225 -11.6415 PRESSURE: 467800 -66.0493 -102.266 -3.51265 -102.266 -176.312 -289.361 -3.51179 -289.36 63.8747 GPRESSURE: 467800 -54.7472 -155.813 -2.34209 65.1232 -102.104 -171.964 -134.904 -145.161 50.855 PRESSAVG: 467800 10.2173 -5.01906 17.2309 -5.01905 15.5686 -6.4379 17.2308 -6.43787 -4.17253 GPRESSAVG: 467800 8.70192 -3.74087 17.4911 -6.57122 16.9264 -7.99972 16.2852 -5.17234 -3.85907 TIMING: 467800 CPU: 1478.04, 0.00318648/step Wall: 1478.04, 0.00318648/step, 4.0116 hours remaining, 233.125000 MB of memory in use. ENERGY: 467800 4041.1858 20552.7355 14480.0910 227.7317 -203240.5326 2713.4103 0.0000 0.0000 52171.9765 -109053.4017 299.8331 -161225.3783 -108694.7496 299.7956 -59.4955 -35.3321 762807.8008 7.2044 7.2564 PRESSURE: 468000 -25.8757 173.001 -63.1844 173 -189.931 -120.69 -63.1839 -120.689 -375.678 GPRESSURE: 468000 15.3562 216.478 -45.0301 94.7493 -203.254 -138.472 -76.6359 -68.6624 -322.95 PRESSAVG: 468000 -24.783 -19.7343 -5.28514 -19.7344 17.5374 -34.8203 -5.28512 -34.8203 -2.75827 GPRESSAVG: 468000 -25.0031 -18.294 -6.47057 -19.5593 17.0874 -33.6635 -4.7944 -32.6613 -2.05026 TIMING: 468000 CPU: 1478.67, 0.00317011/step Wall: 1478.67, 0.00317011/step, 3.99082 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: 468000 3927.6768 20641.4296 14387.2968 252.2252 -202974.5371 2377.1044 0.0000 0.0000 52419.6044 -108969.1999 301.2562 -161388.8042 -108602.1431 300.4540 -197.1616 -170.2829 761923.7010 -3.3346 -3.3220 PRESSURE: 468200 -98.1429 -50.6325 -117.759 -50.6318 78.2183 68.6735 -117.76 68.6734 4.79342 GPRESSURE: 468200 8.83288 -134.388 -119.984 3.79304 56.6772 72.3711 -147.865 -76.8078 11.2328 PRESSAVG: 468200 43.717 -11.6775 3.43024 -11.6775 -8.19416 16.0701 3.43028 16.0701 -7.58465 GPRESSAVG: 468200 44.5677 -13.2251 5.60362 -8.75658 -8.82827 15.9884 4.58981 14.1447 -7.91061 TIMING: 468200 CPU: 1479.31, 0.00317063/step Wall: 1479.31, 0.00317063/step, 3.99129 hours remaining, 233.125000 MB of memory in use. ENERGY: 468200 3998.0710 20630.4495 14462.7199 274.7322 -202955.4025 2488.9154 0.0000 0.0000 52242.5585 -108857.9559 300.2387 -161100.5144 -108498.2196 300.0749 -5.0437 25.5810 761645.9812 9.3127 9.2763 LDB: ============= START OF LOAD BALANCING ============== 1491.84 LDB: ============== END OF LOAD BALANCING =============== 1491.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1491.84 LDB: ============= START OF LOAD BALANCING ============== 1492.16 LDB: Largest compute 7069 load 0.034024 is 17.4% of average load 0.195025 LDB: Average compute 0.004388 is 2.2% of average load 0.195025 LDB: TIME 1492.16 LOAD: AVG 0.195025 MAX 0.212815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.762 MB LDB: TIME 1492.16 LOAD: AVG 0.195025 MAX 0.212815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: TIME 1492.16 LOAD: AVG 0.195025 MAX 0.212815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: ============== END OF LOAD BALANCING =============== 1492.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1492.17 PRESSURE: 468400 -298.794 -4.21201 127.851 -4.21278 -370.015 -73.6643 127.85 -73.6643 -178.135 GPRESSURE: 468400 -217.712 -41.4333 140.2 -0.796502 -351.344 -55.099 155.527 -75.3675 -196.597 PRESSAVG: 468400 44.2552 -15.6648 30.02 -15.6648 -17.5994 -1.5707 30.02 -1.57066 -18.2438 GPRESSAVG: 468400 44.8645 -16.328 28.9042 -17.547 -17.2766 -1.85421 27.1937 -1.36079 -19.2233 TIMING: 468400 CPU: 1479.95, 0.0032225/step Wall: 1479.95, 0.0032225/step, 4.05641 hours remaining, 234.410156 MB of memory in use. ENERGY: 468400 4119.9843 20667.6281 14419.8682 279.3919 -202907.3397 2528.9609 0.0000 0.0000 52228.3499 -108663.1565 300.1570 -160891.5064 -108306.8182 300.5929 -282.3147 -255.2179 763292.0423 2.8040 2.7882 PRESSURE: 468600 197.305 -145.663 -98.8327 -145.662 -198.079 27.5715 -98.8329 27.5719 202.867 GPRESSURE: 468600 200.915 -54.9092 -37.4623 -23.4779 -71.0045 71.7497 30.74 -4.55919 161.649 PRESSAVG: 468600 -15.1359 18.538 25.1895 18.538 -44.906 0.338584 25.1894 0.338555 -10.2839 GPRESSAVG: 468600 -15.8614 20.7354 26.9702 18.4397 -44.8785 -0.741328 26.9507 0.683179 -9.9757 TIMING: 468600 CPU: 1480.59, 0.0031599/step Wall: 1480.59, 0.0031599/step, 3.97744 hours remaining, 234.718750 MB of memory in use. ENERGY: 468600 4006.5234 20493.0843 14403.8746 251.1159 -202740.0248 2486.2341 0.0000 0.0000 52329.0160 -108770.1764 300.7356 -161099.1925 -108411.8139 300.5119 67.3645 97.1865 761868.4108 -23.4419 -23.5719 PRESSURE: 468800 -252.02 166.837 45.5842 166.837 123.257 -139.73 45.5845 -139.731 -257.483 GPRESSURE: 468800 -276.907 113.703 112.398 114.301 258.787 -164.345 -60.6062 -199.957 -287.184 PRESSAVG: 468800 44.739 -1.64828 -11.46 -1.64838 -43.1409 -9.48696 -11.4599 -9.48693 10.371 GPRESSAVG: 468800 44.1976 -4.25349 -11.4588 -1.0823 -41.8892 -9.33168 -13.0337 -9.0609 10.4066 TIMING: 468800 CPU: 1481.22, 0.00315752/step Wall: 1481.22, 0.00315752/step, 3.97427 hours remaining, 234.718750 MB of memory in use. ENERGY: 468800 3969.0373 20686.7168 14458.1851 245.0953 -202767.8479 2251.1399 0.0000 0.0000 52297.0747 -108860.5988 300.5520 -161157.6736 -108489.8554 300.3162 -128.7488 -101.7682 762048.9669 3.9897 4.2384 PRESSURE: 469000 27.2662 40.633 -133.2 40.6331 -37.1519 84.7619 -133.199 84.7616 259.566 GPRESSURE: 469000 152.319 25.4158 -82.5315 96.2883 -53.4874 50.0842 -165.875 31.31 240.021 PRESSAVG: 469000 -30.7499 48.9991 22.4482 48.9991 34.5852 -5.71197 22.4482 -5.71196 3.261 GPRESSAVG: 469000 -30.7752 49.4941 21.2716 49.9831 33.4613 -4.15062 23.4613 -4.94169 4.17474 TIMING: 469000 CPU: 1481.85, 0.00318648/step Wall: 1481.85, 0.00318648/step, 4.01054 hours remaining, 234.718750 MB of memory in use. ENERGY: 469000 4040.3049 20723.6203 14477.2515 259.1082 -203223.7401 2623.9068 0.0000 0.0000 52022.6021 -109076.9462 298.9746 -161099.5483 -108715.6502 299.8996 83.2267 112.9510 761886.3321 2.3654 2.2869 PRESSURE: 469200 71.9617 -114.403 201.701 -114.405 -187.411 -49.5681 201.702 -49.5696 541.486 GPRESSURE: 469200 164.371 -119.664 170.467 -189.509 -96.4888 -39.6469 221.253 -45.4043 445.654 PRESSAVG: 469200 22.779 -13.4947 -20.5841 -13.4947 -72.3477 -49.1958 -20.5842 -49.1957 17.8021 GPRESSAVG: 469200 24.0446 -13.2003 -20.1377 -13.5309 -72.9919 -51.3949 -21.4638 -49.5442 17.3228 TIMING: 469200 CPU: 1482.49, 0.00317231/step Wall: 1482.49, 0.00317231/step, 3.99253 hours remaining, 234.718750 MB of memory in use. ENERGY: 469200 4020.9590 20662.6753 14436.5338 245.2385 -203461.8640 2850.9643 0.0000 0.0000 52128.3419 -109117.1512 299.5823 -161245.4932 -108751.5754 299.5390 142.0123 171.1785 760952.0337 -10.5889 -10.5415 PRESSURE: 469400 -308.731 27.2744 -74.5838 27.2736 -175.5 -16.8286 -74.5839 -16.8292 -17.1245 GPRESSURE: 469400 -308.697 104.625 -7.99446 4.95464 -115.252 10.5886 -8.62163 -66.2642 3.28515 PRESSAVG: 469400 -4.74172 34.1736 34.3046 34.1736 -12.2957 -3.51043 34.3047 -3.5104 12.0904 GPRESSAVG: 469400 -6.30411 34.3157 31.5927 34.3099 -10.9065 -3.72426 34.7222 -3.81571 12.1683 TIMING: 469400 CPU: 1483.12, 0.00316991/step Wall: 1483.12, 0.00316991/step, 3.98933 hours remaining, 234.718750 MB of memory in use. ENERGY: 469400 4033.4647 20609.3751 14496.8033 262.7564 -203170.1741 2458.0972 0.0000 0.0000 52139.5120 -109170.1654 299.6465 -161309.6774 -108802.5903 299.6515 -167.1185 -140.2212 761286.9724 -1.6490 -1.6808 PRESSURE: 469600 389.102 -124.8 -130.698 -124.801 36.0005 -22.4894 -130.697 -22.4884 177.193 GPRESSURE: 469600 389.264 -101.337 -74.6961 -115.912 73.0603 -31.5835 -115.981 43.801 214.76 PRESSAVG: 469600 -5.39026 5.42142 -12.5257 5.42144 44.4557 -3.98946 -12.5257 -3.98948 1.64558 GPRESSAVG: 469600 -4.43989 4.88195 -10.4135 4.6431 42.2345 -1.85116 -13.572 -4.72758 3.23714 TIMING: 469600 CPU: 1483.76, 0.00318035/step Wall: 1483.76, 0.00318034/step, 4.00229 hours remaining, 234.718750 MB of memory in use. ENERGY: 469600 3979.4193 20609.0980 14434.1493 256.3527 -202909.2230 2460.0089 0.0000 0.0000 51933.9591 -109236.2357 298.4652 -161170.1948 -108878.1577 299.7277 200.7654 225.6949 761516.2065 13.5703 13.6772 PRESSURE: 469800 -232.15 212.647 -218.06 212.647 -35.0944 -198.775 -218.06 -198.775 385.496 GPRESSURE: 469800 -109.752 171.033 -195.494 84.5475 -19.3391 -193.79 -202.287 -128.443 339.905 PRESSAVG: 469800 -23.3596 26.7301 15.1902 26.7301 -6.50418 10.691 15.1901 10.6911 -13.8013 GPRESSAVG: 469800 -22.4114 25.0729 14.5837 26.6122 -5.1472 9.81511 16.3164 11.0655 -15.4106 TIMING: 469800 CPU: 1484.39, 0.00317921/step Wall: 1484.39, 0.00317921/step, 4.00069 hours remaining, 234.718750 MB of memory in use. ENERGY: 469800 4011.1026 20402.1002 14477.7125 259.8567 -203277.8076 2542.2889 0.0000 0.0000 52460.0205 -109124.7263 301.4885 -161584.7467 -108754.3097 299.7205 39.4173 70.2715 762093.2683 -14.5550 -14.3230 PRESSURE: 470000 225.71 -71.2333 -11.6999 -71.233 -258.478 82.3197 -11.6993 82.32 233.008 GPRESSURE: 470000 296.936 -75.7913 -5.21225 -132.707 -310.101 129.628 -23.442 128.593 285.719 PRESSAVG: 470000 5.59403 39.7036 44.9771 39.7037 -18.6612 -34.7076 44.9771 -34.7076 -23.4027 GPRESSAVG: 470000 4.71999 43.908 43.8879 39.43 -17.3062 -35.0178 44.7346 -33.5402 -24.3003 TIMING: 470000 CPU: 1485.03, 0.00315474/step Wall: 1485.03, 0.00315474/step, 3.96972 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: 470000 4025.3694 20685.3701 14417.6085 246.0911 -203175.3606 2585.5290 0.0000 0.0000 52002.4675 -109212.9251 298.8589 -161215.3926 -108861.3477 299.3563 66.7465 90.8513 763261.9212 -12.1566 -12.2955 PRESSURE: 470200 238.091 3.17155 -34.1802 3.17137 320.023 152.752 -34.1813 152.753 -216.953 GPRESSURE: 470200 233.733 -112.249 -0.644373 51.7202 255.178 118.965 -69.8609 214.955 -83.4638 PRESSAVG: 470200 -3.71025 -16.046 1.01128 -16.0461 55.2153 23.9962 1.0113 23.9961 21.0313 GPRESSAVG: 470200 -4.56958 -19.0441 3.07254 -16.7072 52.6318 24.5083 -1.70303 24.0715 24.4656 TIMING: 470200 CPU: 1485.66, 0.00317509/step Wall: 1485.66, 0.00317509/step, 3.99515 hours remaining, 234.718750 MB of memory in use. ENERGY: 470200 4000.8749 20526.3903 14429.3930 232.3386 -203186.6817 2637.1873 0.0000 0.0000 52014.8060 -109345.6916 298.9298 -161360.4976 -108981.8681 299.7575 113.7203 135.1491 760576.1107 24.1788 24.1759 PRESSURE: 470400 -28.6335 19.0133 -77.941 19.0125 -249.563 95.2124 -77.9415 95.2114 128.491 GPRESSURE: 470400 -18.5661 107.507 -56.9917 32.6038 -142.198 46.7338 -35.3571 183.045 82.1937 PRESSAVG: 470400 -20.7719 -32.5903 32.1553 -32.5903 15.2921 -15.1331 32.1553 -15.1331 4.5275 GPRESSAVG: 470400 -19.6011 -32.4031 30.1462 -31.4669 14.8381 -15.459 35.1508 -14.848 3.14762 TIMING: 470400 CPU: 1486.29, 0.00315386/step Wall: 1486.29, 0.00315386/step, 3.96826 hours remaining, 234.718750 MB of memory in use. ENERGY: 470400 3975.0608 20556.8592 14454.1456 241.4038 -203478.5439 2670.1557 0.0000 0.0000 52035.7569 -109545.1619 299.0502 -161580.9188 -109178.0445 298.2829 -49.9019 -26.1901 760653.3387 -0.3174 -0.5385 PRESSURE: 470600 78.6791 -238.761 36.9897 -238.76 -484.384 26.5447 36.9888 26.5454 -110.148 GPRESSURE: 470600 38.7156 -264.156 23.1087 -285.523 -350.53 34.6565 151.682 20.804 -123.666 PRESSAVG: 470600 -50.5794 -19.2378 -5.03071 -19.2378 40.7912 -9.98655 -5.03071 -9.98659 10.994 GPRESSAVG: 470600 -51.4294 -18.2912 -3.90879 -18.1155 42.7219 -10.1734 -5.46507 -10.567 10.424 TIMING: 470600 CPU: 1486.92, 0.00316624/step Wall: 1486.92, 0.00316624/step, 3.98365 hours remaining, 234.718750 MB of memory in use. ENERGY: 470600 4072.5664 20485.9997 14433.1187 243.6860 -203236.6580 2500.6954 0.0000 0.0000 51948.2444 -109552.3475 298.5473 -161500.5919 -109187.4830 298.5849 -171.9510 -145.1601 762034.3050 0.4019 0.5721 PRESSURE: 470800 -2.79499 12.1192 54.721 12.1195 -131.265 157.43 54.7217 157.43 -158.332 GPRESSURE: 470800 36.9809 85.8037 -34.309 -20.7297 -102.614 269.319 -54.3342 64.0984 -147.765 PRESSAVG: 470800 34.3893 -5.09894 13.9251 -5.09897 -12.2466 7.03074 13.9252 7.03076 -19.7633 GPRESSAVG: 470800 34.962 -4.53083 13.6013 -6.73552 -13.3352 6.67455 11.0843 5.41931 -18.8506 TIMING: 470800 CPU: 1487.56, 0.00318645/step Wall: 1487.56, 0.00318645/step, 4.0089 hours remaining, 234.718750 MB of memory in use. ENERGY: 470800 4019.1709 20468.0328 14436.5284 235.5212 -202966.1942 2451.2171 0.0000 0.0000 51757.4794 -109598.2444 297.4509 -161355.7238 -109244.7614 298.2459 -97.4642 -71.1328 762002.4848 0.7932 0.9254 PRESSURE: 471000 -122.891 -249.92 117.773 -249.92 -157.51 -157.73 117.772 -157.73 23.3462 GPRESSURE: 471000 -75.7753 -294.017 118.417 -199.717 -180.537 -113.608 152.076 -162.647 77.5216 PRESSAVG: 471000 47.8193 -41.8684 30.688 -41.8683 -15.5479 -23.2253 30.6879 -23.2253 -4.93581 GPRESSAVG: 471000 47.3663 -43.4836 29.0494 -38.9472 -15.3054 -22.4577 34.6022 -22.7037 -4.57029 TIMING: 471000 CPU: 1488.19, 0.00316552/step Wall: 1488.19, 0.00316552/step, 3.9824 hours remaining, 234.718750 MB of memory in use. ENERGY: 471000 4071.6528 20430.5716 14473.1246 254.8654 -203261.2757 2493.8479 0.0000 0.0000 52087.0430 -109450.1704 299.3450 -161537.2134 -109083.2033 299.1653 -85.6851 -59.5970 761625.8261 9.1119 9.1635 PRESSURE: 471200 233.817 70.8409 -61.4272 70.8405 -193.971 31.2502 -61.4275 31.2494 -372.58 GPRESSURE: 471200 248.424 56.4005 -38.6253 34.141 -109.185 -12.4525 -122.003 63.8086 -394.866 PRESSAVG: 471200 3.80914 -17.797 -26.4475 -17.7971 7.67251 -0.625061 -26.4475 -0.625072 -18.5588 GPRESSAVG: 471200 3.54784 -16.9901 -24.5667 -18.9702 8.68731 0.430701 -29.0849 0.5395 -19.633 TIMING: 471200 CPU: 1488.83, 0.00316736/step Wall: 1488.83, 0.00316736/step, 3.98454 hours remaining, 234.718750 MB of memory in use. ENERGY: 471200 4096.7244 20340.0883 14503.6051 287.0697 -203878.0216 3114.2288 0.0000 0.0000 52343.6439 -109192.6614 300.8196 -161536.3053 -108827.7406 299.0096 -110.9113 -85.2092 762718.9675 -2.3590 -2.4660 PRESSURE: 471400 -50.8624 16.1181 -134.857 16.1183 -165.173 -7.27804 -134.857 -7.2785 -190.028 GPRESSURE: 471400 -10.6223 43.6992 -89.1217 -59.5707 -187.382 -24.9468 -119.385 -1.04425 -111.754 PRESSAVG: 471400 -26.2116 -29.0497 -59.5298 -29.0497 20.435 24.8666 -59.5298 24.8666 -8.97938 GPRESSAVG: 471400 -26.7182 -30.347 -60.5104 -28.7932 20.592 21.5483 -58.0661 26.3419 -8.50435 TIMING: 471400 CPU: 1489.46, 0.00316276/step Wall: 1489.46, 0.00316276/step, 3.97857 hours remaining, 234.718750 MB of memory in use. ENERGY: 471400 4043.8369 20255.8496 14558.1781 252.2237 -203311.9843 2800.7880 0.0000 0.0000 52102.3443 -109298.7638 299.4329 -161401.1080 -108929.4588 299.2174 -135.3544 -103.2529 762466.2996 -4.9186 -4.8769 PRESSURE: 471600 236.885 -186.482 183.246 -186.481 147.32 174.692 183.245 174.693 210.585 GPRESSURE: 471600 352.896 -231.38 216.737 -152.728 93.2532 176.83 181.51 145.133 239.971 PRESSAVG: 471600 -25.8264 -1.61803 72.9602 -1.61806 -18.9998 -24.4301 72.9602 -24.43 39.3427 GPRESSAVG: 471600 -26.2036 -0.183685 74.6491 -2.24871 -20.0169 -23.0493 71.6896 -25.3197 40.3108 TIMING: 471600 CPU: 1490.09, 0.00314851/step Wall: 1490.09, 0.00314851/step, 3.96048 hours remaining, 234.718750 MB of memory in use. ENERGY: 471600 4019.0739 20532.4060 14472.8822 246.1081 -203723.8825 2989.2152 0.0000 0.0000 52133.3592 -109330.8379 299.6111 -161464.1971 -108968.8017 299.4689 198.2634 228.7065 760867.7415 -1.8279 -1.9699 PRESSURE: 471800 -126.56 -56.5687 154.709 -56.5688 -152.565 98.7744 154.709 98.775 236.966 GPRESSURE: 471800 36.9857 -137.817 244.993 -40.1092 -214.417 19.9122 64.5653 82.3687 209.874 PRESSAVG: 471800 16.4317 -36.0863 41.2648 -36.0863 -22.5456 27.6951 41.2648 27.6951 8.23467 GPRESSAVG: 471800 18.9818 -38.5109 40.0081 -35.8959 -23.4729 29.1012 42.6129 25.9909 6.51775 TIMING: 471800 CPU: 1490.73, 0.00317949/step Wall: 1490.73, 0.00317949/step, 3.99926 hours remaining, 234.718750 MB of memory in use. ENERGY: 471800 4004.3881 20498.1881 14481.1705 243.8427 -203175.9641 2638.1878 0.0000 0.0000 51986.3610 -109323.8260 298.7663 -161310.1870 -108956.9662 298.9319 -14.0530 10.8143 762768.2973 0.7069 0.6756 PRESSURE: 472000 -257.188 20.1632 149.136 20.1632 -198.54 -122.189 149.136 -122.189 -168.601 GPRESSURE: 472000 -197.836 -143.609 131.554 -12.9554 -186.937 -107.172 228.975 -87.7741 -138.179 PRESSAVG: 472000 -2.736 4.11687 31.0636 4.11696 -4.11466 43.6422 31.0636 43.6421 -21.3031 GPRESSAVG: 472000 -5.00706 5.0107 30.3908 2.3932 -1.81694 43.1409 33.5489 44.151 -20.9933 TIMING: 472000 CPU: 1491.37, 0.00319261/step Wall: 1491.37, 0.00319261/step, 4.01559 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: 472000 4092.0872 20551.9433 14532.4584 244.1521 -203556.7258 2965.6570 0.0000 0.0000 51986.6877 -109183.7401 298.7682 -161170.4278 -108835.8616 299.0737 -208.1097 -174.3174 762723.5327 -9.3846 -9.2724 PRESSURE: 472200 132.355 160.29 140.506 160.29 -500.3 109.75 140.507 109.749 -326.514 GPRESSURE: 472200 140.083 106.766 160.135 96.9829 -393.635 94.7071 169.103 156.677 -373.794 PRESSAVG: 472200 79.5248 -30.3135 70.0837 -30.3135 -53.7145 21.8473 70.0837 21.8473 29.6535 GPRESSAVG: 472200 80.7296 -29.7657 70.6641 -29.2939 -53.7251 21.1939 68.1698 23.7445 28.0795 TIMING: 472200 CPU: 1492, 0.00318519/step Wall: 1492, 0.00318519/step, 4.00608 hours remaining, 234.718750 MB of memory in use. ENERGY: 472200 3946.3413 20496.4328 14479.2646 270.1883 -203072.1379 2498.2768 0.0000 0.0000 52324.0741 -109057.5601 300.7072 -161381.6341 -108690.4075 299.9507 -231.4865 -209.1151 762723.6487 18.4879 18.3613 LDB: ============= START OF LOAD BALANCING ============== 1504.54 LDB: ============== END OF LOAD BALANCING =============== 1504.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1504.54 LDB: ============= START OF LOAD BALANCING ============== 1504.86 LDB: Largest compute 7069 load 0.032871 is 16.8% of average load 0.195185 LDB: Average compute 0.004366 is 2.2% of average load 0.195185 LDB: TIME 1504.86 LOAD: AVG 0.195185 MAX 0.21452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 1504.86 LOAD: AVG 0.195185 MAX 0.21452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 1504.86 LOAD: AVG 0.195185 MAX 0.21452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 1504.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1504.87 PRESSURE: 472400 -79.0547 -121.371 -103.583 -121.371 -348.268 51.5906 -103.583 51.5904 -125.971 GPRESSURE: 472400 -26.9214 -25.4503 -152.55 -102.29 -319.931 8.71569 -12.9179 63.4205 -118.798 PRESSAVG: 472400 -2.35582 -39.4244 21.151 -39.4243 -0.707656 85.7944 21.151 85.7944 -33.8396 GPRESSAVG: 472400 -3.87457 -37.8612 22.8448 -38.8039 -0.115238 86.0531 20.5557 85.0362 -33.0202 TIMING: 472400 CPU: 1492.65, 0.00323776/step Wall: 1492.65, 0.00323776/step, 4.07202 hours remaining, 232.355469 MB of memory in use. ENERGY: 472400 4112.8169 20610.8114 14492.4607 236.8998 -203281.4767 2807.8073 0.0000 0.0000 52167.4401 -108853.2406 299.8070 -161020.6807 -108494.8267 300.1018 -184.4312 -155.2168 764413.1050 -12.3010 -12.3367 PRESSURE: 472600 -22.1285 70.5276 215.334 70.5278 -144.063 -116.739 215.334 -116.739 199.221 GPRESSURE: 472600 5.60578 128.928 167.318 114.253 -95.4785 -120.982 234.26 -118.896 197.958 PRESSAVG: 472600 58.7922 -3.39895 -32.9492 -3.39889 -76.6239 7.75847 -32.9492 7.75847 23.9819 GPRESSAVG: 472600 59.7619 -5.92085 -33.8971 -4.48171 -77.9985 6.51531 -31.4619 9.38307 24.7216 TIMING: 472600 CPU: 1493.28, 0.00315975/step Wall: 1493.28, 0.00315975/step, 3.97373 hours remaining, 232.558594 MB of memory in use. ENERGY: 472600 3994.3994 20564.6808 14530.9851 237.7775 -203244.3202 2556.3565 0.0000 0.0000 52414.5852 -108945.5357 301.2273 -161360.1210 -108587.9258 299.8061 11.0097 36.0283 761765.5585 2.0501 2.1617 PRESSURE: 472800 4.0185 -13.6931 366.905 -13.6925 67.9717 134.2 366.906 134.2 720.311 GPRESSURE: 472800 27.3462 -28.2549 350.331 -123.099 135.695 124.87 267.713 151.031 711.095 PRESSAVG: 472800 -41.0796 21.5359 14.0292 21.5358 13.1264 -3.73381 14.0292 -3.73374 11.3665 GPRESSAVG: 472800 -41.0114 21.3763 15.0706 23.3025 13.9856 -2.36447 11.2161 -6.43558 11.1299 TIMING: 472800 CPU: 1493.92, 0.00316992/step Wall: 1493.92, 0.00316992/step, 3.98635 hours remaining, 232.558594 MB of memory in use. ENERGY: 472800 3995.5029 20480.0611 14459.5791 257.6950 -203492.0504 2981.8499 0.0000 0.0000 52385.6126 -108931.7498 301.0608 -161317.3624 -108565.3087 299.8621 264.1003 291.3788 761243.8391 -5.5289 -5.2986 PRESSURE: 473000 360.151 76.2632 -71.4379 76.2636 90.6151 106.538 -71.4384 106.538 -116.95 GPRESSURE: 473000 357.098 -7.05222 -191.489 60.6532 94.4757 89.7434 -103.619 45.2633 -28.9688 PRESSAVG: 473000 25.3532 -9.91342 76.6683 -9.91338 33.0806 -42.5687 76.6682 -42.5688 3.34822 GPRESSAVG: 473000 25.0875 -8.36276 75.7328 -12.4454 31.6885 -43.0127 77.82 -43.0989 4.18368 TIMING: 473000 CPU: 1494.55, 0.00317821/step Wall: 1494.55, 0.00317821/step, 3.9966 hours remaining, 232.558594 MB of memory in use. ENERGY: 473000 3964.2909 20739.1187 14453.4770 237.3642 -203162.3097 2684.4547 0.0000 0.0000 52059.5747 -109024.0295 299.1871 -161083.6042 -108666.4422 300.2024 111.2720 140.8683 761145.5759 20.5940 20.3199 PRESSURE: 473200 -377.538 -32.9842 -175.353 -32.9836 316.967 -291.208 -175.354 -291.207 595.665 GPRESSURE: 473200 -355.424 53.4035 12.9208 -49.4518 422.936 -281.211 -215.879 -208.916 572.501 PRESSAVG: 473200 29.8456 -3.39856 32.9357 -3.39854 34.4171 66.6084 32.9357 66.6084 -30.5901 GPRESSAVG: 473200 30.8718 -2.40145 32.0967 -2.48011 34.0289 67.6864 33.2604 67.625 -31.393 TIMING: 473200 CPU: 1495.19, 0.00318642/step Wall: 1495.19, 0.00318642/step, 4.00674 hours remaining, 232.558594 MB of memory in use. ENERGY: 473200 3971.4534 20593.9326 14427.7145 220.6311 -203071.2839 2667.9449 0.0000 0.0000 52144.2401 -109045.3673 299.6737 -161189.6074 -108689.4049 299.5138 178.3649 213.3375 761909.8940 11.2242 11.1692 PRESSURE: 473400 -469.703 -104.183 21.4817 -104.183 59.8403 73.9705 21.482 73.9712 -363.793 GPRESSURE: 473400 -432.778 -124.597 -26.3321 -83.746 75.3705 100.359 78.3495 112.142 -323.15 PRESSAVG: 473400 -32.5611 -8.80088 14.1391 -8.80092 58.4686 52.8855 14.1391 52.8855 12.3536 GPRESSAVG: 473400 -32.8528 -9.39806 14.8018 -7.23601 58.7176 53.191 13.0609 51.5514 12.0225 TIMING: 473400 CPU: 1495.82, 0.00316935/step Wall: 1495.82, 0.00316935/step, 3.9851 hours remaining, 232.558594 MB of memory in use. ENERGY: 473400 3981.4396 20725.0137 14427.6477 236.3245 -202809.3688 2559.1562 0.0000 0.0000 51883.6302 -108996.1569 298.1759 -160879.7871 -108634.2290 299.2923 -257.8851 -226.8524 764554.7395 12.7537 12.6291 PRESSURE: 473600 -206.294 -3.22861 85.5202 -3.22845 -291.049 -120.369 85.5201 -120.369 208.06 GPRESSURE: 473600 -201.437 6.39227 19.0897 -62.3113 -221.988 -191.045 154.943 -48.6936 214.992 PRESSAVG: 473600 4.32897 -54.9511 53.5745 -54.9512 -22.9604 7.50041 53.5745 7.50039 -10.2551 GPRESSAVG: 473600 4.61513 -53.8357 54.904 -56.8495 -23.3082 6.5352 53.3064 10.1283 -9.75491 TIMING: 473600 CPU: 1496.45, 0.00313624/step Wall: 1496.45, 0.00313624/step, 3.9433 hours remaining, 232.558594 MB of memory in use. ENERGY: 473600 4021.2543 20507.1693 14441.0235 237.0956 -203061.9725 2596.2408 0.0000 0.0000 52131.9024 -109127.2866 299.6028 -161259.1890 -108765.9123 299.7512 -96.4275 -69.4780 763247.8026 -9.6288 -9.4827 PRESSURE: 473800 219.303 -30.4405 -49.58 -30.4404 -106.87 -48.4354 -49.5793 -48.4355 -321.467 GPRESSURE: 473800 263.523 -98.0277 -33.4412 30.1545 -101.333 14.2141 -24.6668 -91.8856 -293.892 PRESSAVG: 473800 5.80618 2.89767 28.316 2.89778 13.0787 20.2812 28.316 20.2812 -20.9173 GPRESSAVG: 473800 4.74172 2.23659 28 5.35695 14.1566 20.9418 27.9047 17.9892 -20.9706 TIMING: 473800 CPU: 1497.08, 0.00314588/step Wall: 1497.08, 0.00314588/step, 3.95524 hours remaining, 232.558594 MB of memory in use. ENERGY: 473800 3954.1761 20709.7728 14470.5047 235.2916 -203334.7084 2814.6449 0.0000 0.0000 52131.4192 -109018.8992 299.6000 -161150.3184 -108665.6644 299.6635 -69.6778 -43.9008 764289.7864 -0.6775 -0.6907 PRESSURE: 474000 -87.248 -228.909 73.9904 -228.91 -222.671 95.0105 73.9902 95.0107 280.663 GPRESSURE: 474000 77.9152 -175.353 38.7988 -212.392 -351.403 26.7455 14.3881 4.77849 333.306 PRESSAVG: 474000 28.4447 26.4588 27.1216 26.4588 -30.0718 6.36678 27.1216 6.36686 -14.8833 GPRESSAVG: 474000 29.0747 25.5791 26.1345 25.9185 -30.1047 6.93198 27.3339 5.42803 -15.1111 TIMING: 474000 CPU: 1497.71, 0.00314242/step Wall: 1497.71, 0.00314242/step, 3.95072 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: 474000 4018.3317 20422.4280 14450.3039 230.9678 -203458.8068 2866.6999 0.0000 0.0000 52508.3845 -108961.6910 301.7664 -161470.0756 -108588.0615 300.2797 -9.7518 19.9394 762635.2351 -5.5035 -5.3804 PRESSURE: 474200 -49.6821 -25.7444 66.0946 -25.7439 -6.19621 23.1177 66.0948 23.1181 -260.869 GPRESSURE: 474200 22.6498 -34.0842 -32.524 41.7741 -28.9684 63.5588 88.7288 80.5004 -216.794 PRESSAVG: 474200 -0.534034 37.7392 -7.26056 37.7391 2.64849 1.35107 -7.2606 1.35105 15.895 GPRESSAVG: 474200 0.496968 36.8439 -7.53229 38.4314 0.707527 1.48843 -4.76429 3.03356 16.9347 TIMING: 474200 CPU: 1498.34, 0.00314607/step Wall: 1498.34, 0.00314607/step, 3.95513 hours remaining, 232.558594 MB of memory in use. ENERGY: 474200 3983.0910 20746.5417 14462.4695 260.8730 -202997.4190 2478.9936 0.0000 0.0000 52352.3583 -108713.0920 300.8697 -161065.4503 -108356.6225 300.1895 -105.5823 -74.3710 764830.2672 6.0031 6.0464 PRESSURE: 474400 227.755 50.6215 65.4145 50.6204 -249.869 13.8295 65.4138 13.8288 412.833 GPRESSURE: 474400 151.636 25.8734 46.0497 -9.39659 -106.728 13.0681 -95.2418 115.494 423.662 PRESSAVG: 474400 29.4839 50.8242 -31.4398 50.8242 0.526229 -9.08071 -31.4398 -9.08067 3.18947 GPRESSAVG: 474400 28.2731 52.5892 -30.7109 48.0875 3.68821 -10.5243 -33.4832 -7.65415 1.42958 TIMING: 474400 CPU: 1498.97, 0.0031705/step Wall: 1498.97, 0.0031705/step, 3.98567 hours remaining, 232.558594 MB of memory in use. ENERGY: 474400 4018.2722 20808.5076 14447.5818 247.8972 -203509.2241 2867.8011 0.0000 0.0000 52493.5383 -108625.6260 301.6811 -161119.1642 -108266.5730 300.6847 130.2396 156.1901 763219.2983 11.0665 11.1303 PRESSURE: 474600 86.7004 -204.304 50.1607 -204.304 20.6824 209.286 50.1597 209.286 -320.067 GPRESSURE: 474600 93.4243 -219.996 105.168 -82.4797 115.037 185.415 87.3353 33.0312 -322.294 PRESSAVG: 474600 -44.619 -11.1131 -16.8016 -11.1131 61.6329 -18.186 -16.8016 -18.186 -1.09382 GPRESSAVG: 474600 -44.6835 -11.2556 -17.5653 -8.85123 61.3603 -17.5118 -15.648 -19.4861 -0.117654 TIMING: 474600 CPU: 1499.6, 0.00314624/step Wall: 1499.6, 0.00314624/step, 3.955 hours remaining, 232.558594 MB of memory in use. ENERGY: 474600 3923.0614 20713.9587 14531.7039 239.3776 -202809.1278 2546.8009 0.0000 0.0000 52163.1699 -108691.0553 299.7825 -160854.2253 -108317.0481 300.8523 -70.8949 -37.9442 763187.2323 5.3067 5.5197 PRESSURE: 474800 107.723 -77.1486 -6.87522 -77.1492 247.047 -7.93653 -6.87626 -7.93554 124.043 GPRESSURE: 474800 112.167 -123.567 -17.9416 -136.139 278.048 -24.6017 9.04814 -76.1887 173.009 PRESSAVG: 474800 -23.5423 -41.1855 18.6351 -41.1855 -21.7843 3.52747 18.6351 3.52751 -14.8161 GPRESSAVG: 474800 -23.8377 -40.5095 18.4725 -40.9828 -21.9455 4.73605 18.6709 2.78884 -14.5215 TIMING: 474800 CPU: 1500.23, 0.00316188/step Wall: 1500.23, 0.00316188/step, 3.97448 hours remaining, 232.558594 MB of memory in use. ENERGY: 474800 3995.9018 20683.0539 14499.1264 245.0967 -203323.0483 2832.9197 0.0000 0.0000 52075.5737 -108991.3761 299.2790 -161066.9498 -108630.8763 300.0547 159.6042 187.7411 762020.7587 -20.0476 -20.1016 PRESSURE: 475000 -39.538 134.28 76.1538 134.28 110.277 -87.0496 76.1542 -87.049 -12.5748 GPRESSURE: 475000 74.1079 119.962 204.624 237.327 59.9538 13.4373 111.625 34.2926 -22.0356 PRESSAVG: 475000 -10.4483 -14.2579 25.4644 -14.2579 29.7383 20.728 25.4644 20.728 -8.89368 GPRESSAVG: 475000 -8.65455 -14.3731 24.3797 -15.0163 28.2648 20.4956 27.036 20.2729 -9.10692 TIMING: 475000 CPU: 1500.86, 0.00313601/step Wall: 1500.86, 0.00313601/step, 3.94179 hours remaining, 232.558594 MB of memory in use. ENERGY: 475000 3972.4734 20511.0461 14554.3361 242.9233 -203490.1830 2851.4031 0.0000 0.0000 52125.1798 -109232.8211 299.5641 -161358.0009 -108867.4687 299.5797 19.3880 37.3420 760498.7299 3.4654 3.5011 PRESSURE: 475200 -156.464 114.093 68.6189 114.093 -150.221 -188.584 68.6191 -188.582 184.489 GPRESSURE: 475200 -102.86 206.803 24.248 102.277 10.5286 -246.995 -70.9368 -181.665 48.9501 PRESSAVG: 475200 -29.2429 16.3401 17.9483 16.34 9.1079 13.9995 17.9482 13.9995 14.5188 GPRESSAVG: 475200 -28.8962 16.0021 17.5343 16.884 8.7024 12.8959 14.9228 14.8842 14.3822 TIMING: 475200 CPU: 1501.49, 0.00314411/step Wall: 1501.49, 0.00314411/step, 3.95179 hours remaining, 232.558594 MB of memory in use. ENERGY: 475200 3987.6079 20590.9258 14440.9953 230.8407 -203224.0824 2553.6725 0.0000 0.0000 52216.1229 -109203.9173 300.0868 -161420.0402 -108840.6438 298.9273 -40.7319 -14.4605 761382.7020 -1.8721 -1.9372 PRESSURE: 475400 -102.814 107.137 90.1639 107.137 -2.09255 71.4528 90.1632 71.4524 33.5008 GPRESSURE: 475400 -232.996 208.52 -39.0412 6.55213 128.473 66.4926 49.756 27.8085 119.431 PRESSAVG: 475400 -28.9562 42.7437 13.5184 42.7437 21.9304 -33.9492 13.5184 -33.9492 -14.2624 GPRESSAVG: 475400 -31.1511 43.5565 12.2579 43.741 22.9109 -33.4505 15.5151 -31.624 -12.4411 TIMING: 475400 CPU: 1502.12, 0.00317544/step Wall: 1502.12, 0.00317544/step, 3.991 hours remaining, 232.558594 MB of memory in use. ENERGY: 475400 4073.5096 20602.6441 14498.3543 257.9265 -203192.8374 2457.7229 0.0000 0.0000 51949.5151 -109353.1649 298.5546 -161302.6800 -108995.6030 299.4757 -23.8018 4.9690 762359.6321 -7.0961 -6.8938 PRESSURE: 475600 18.5926 -174.43 -27.0495 -174.43 -23.9798 -182.477 -27.0494 -182.476 -86.8798 GPRESSURE: 475600 -7.8319 -231.99 -40.269 -135.681 11.9767 -112.805 -41.5983 -297.324 -20.2603 PRESSAVG: 475600 7.38586 -12.2144 69.0111 -12.2145 62.8113 24.885 69.0111 24.885 -20.6529 GPRESSAVG: 475600 8.58523 -11.8773 72.3072 -14.3939 63.7198 25.1778 66.9358 22.3522 -22.8766 TIMING: 475600 CPU: 1502.76, 0.00315938/step Wall: 1502.76, 0.00315938/step, 3.97064 hours remaining, 232.558594 MB of memory in use. ENERGY: 475600 3904.0933 20601.1736 14427.2772 242.4188 -203321.9043 2460.1221 0.0000 0.0000 52250.4732 -109436.3460 300.2842 -161686.8193 -109072.6469 299.5772 -30.7556 -5.3718 762008.9406 16.5147 16.4762 PRESSURE: 475800 63.2928 -117.275 -12.7022 -117.276 247.366 150.945 -12.7016 150.945 320.54 GPRESSURE: 475800 105.706 -43.9543 24.2257 -114.071 226.72 245.104 -77.5792 123.073 366.646 PRESSAVG: 475800 -13.8708 -27.5063 -30.1446 -27.5063 45.698 -15.4771 -30.1445 -15.4771 15.0226 GPRESSAVG: 475800 -12.9406 -26.9777 -31.4447 -28.3675 45.9276 -17.3229 -27.5467 -14.8015 14.6899 TIMING: 475800 CPU: 1503.39, 0.00317263/step Wall: 1503.39, 0.00317263/step, 3.98712 hours remaining, 232.558594 MB of memory in use. ENERGY: 475800 3984.4451 20459.6369 14470.4334 224.4172 -203554.9509 2805.6779 0.0000 0.0000 52121.5160 -109488.8244 299.5431 -161610.3404 -109133.9107 298.8969 210.3997 233.0240 762167.1127 15.6166 15.8923 PRESSURE: 476000 -259.508 215.412 178.187 215.411 130.071 329.269 178.187 329.27 -404.363 GPRESSURE: 476000 -215.125 254.043 144.391 175.71 78.2807 276.223 12.3856 360.507 -337.921 PRESSAVG: 476000 -17.7938 23.9113 12.8185 23.9113 1.7458 25.3016 12.8185 25.3016 27.7915 GPRESSAVG: 476000 -19.0987 22.537 12.8702 24.3882 1.85706 24.8878 10.432 25.5255 28.6904 TIMING: 476000 CPU: 1504.02, 0.00315619/step Wall: 1504.02, 0.00315619/step, 3.96628 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: 476000 3921.3724 20407.8567 14497.5983 247.1953 -202871.2614 2330.0084 0.0000 0.0000 51968.9929 -109498.2375 298.6665 -161467.2304 -109133.9148 299.1009 -177.9332 -158.2554 762536.7265 3.9145 3.8163 PRESSURE: 476200 289.236 -25.4707 -213.475 -25.4717 -298.138 21.5164 -213.475 21.5163 -249.788 GPRESSURE: 476200 235.773 -103.728 -232.768 26.9788 -243.23 18.6649 23.2252 5.67156 -144.503 PRESSAVG: 476200 66.5927 -18.4254 6.74979 -18.4254 -30.4274 7.82424 6.74986 7.82428 6.94334 GPRESSAVG: 476200 65.4423 -20.0178 6.69105 -19.0572 -30.5414 7.74785 7.80495 6.47485 8.22148 TIMING: 476200 CPU: 1504.65, 0.00316813/step Wall: 1504.65, 0.00316813/step, 3.98111 hours remaining, 232.558594 MB of memory in use. ENERGY: 476200 4044.3598 20459.5371 14565.4836 236.8262 -203608.9802 2964.2792 0.0000 0.0000 52188.3343 -109150.1600 299.9271 -161338.4943 -108797.5439 299.5327 -86.2299 -50.6532 761856.4561 14.3696 14.3741 LDB: ============= START OF LOAD BALANCING ============== 1517.19 LDB: ============== END OF LOAD BALANCING =============== 1517.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1517.19 LDB: ============= START OF LOAD BALANCING ============== 1517.51 LDB: Largest compute 7069 load 0.031147 is 16.0% of average load 0.195154 LDB: Average compute 0.004396 is 2.3% of average load 0.195154 LDB: TIME 1517.51 LOAD: AVG 0.195154 MAX 0.214632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1517.51 LOAD: AVG 0.195154 MAX 0.214632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.961 MB LDB: TIME 1517.51 LOAD: AVG 0.195154 MAX 0.214632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.961 MB LDB: ============== END OF LOAD BALANCING =============== 1517.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1517.52 PRESSURE: 476400 -316.695 -67.6524 -260.987 -67.6525 -40.4601 136.123 -260.988 136.123 -81.3187 GPRESSURE: 476400 -157.683 -78.3167 -323.39 -28.315 -117.655 141.181 -212.354 40.7522 -82.4311 PRESSAVG: 476400 40.2106 -16.7126 -7.819 -16.7126 8.29865 -76.2388 -7.81895 -76.2388 14.5357 GPRESSAVG: 476400 41.6911 -17.1712 -7.38514 -15.1979 8.53849 -73.5288 -7.80986 -76.1995 12.5594 TIMING: 476400 CPU: 1505.3, 0.0032315/step Wall: 1505.3, 0.0032315/step, 4.06056 hours remaining, 232.867188 MB of memory in use. ENERGY: 476400 4035.7051 20472.7889 14481.7746 250.6307 -203146.7190 2803.3283 0.0000 0.0000 51803.1335 -109299.3579 297.7133 -161102.4915 -108937.4082 299.3590 -146.1581 -119.2563 765200.9831 21.0150 20.9296 PRESSURE: 476600 -369.088 -125.466 65.0813 -125.466 -111.498 -143.638 65.0817 -143.638 -34.7579 GPRESSURE: 476600 -287.535 -165.853 12.2823 -124.2 -67.6495 -203.172 49.4492 -81.421 -70.8551 PRESSAVG: 476600 1.67206 0.346255 -16.9865 0.34628 -42.7215 -16.0389 -16.9864 -16.0389 0.813744 GPRESSAVG: 476600 1.49427 1.45014 -18.5244 0.509518 -43.6503 -17.789 -17.5522 -15.9832 2.07494 TIMING: 476600 CPU: 1505.93, 0.00315872/step Wall: 1505.93, 0.00315872/step, 3.96893 hours remaining, 232.867188 MB of memory in use. ENERGY: 476600 4054.7495 20438.8959 14575.5706 262.4317 -203200.7321 2657.6163 0.0000 0.0000 51902.1261 -109309.3419 298.2822 -161211.4680 -108944.8855 299.4221 -171.7814 -142.0133 763682.2096 -13.4119 -13.3604 PRESSURE: 476800 -155.299 -12.1602 99.6192 -12.1605 -183.468 -34.3868 99.6203 -34.3859 -54.2532 GPRESSURE: 476800 -132.285 37.3962 26.3669 -50.59 -116.469 52.1284 92.8751 -48.5691 -62.5918 PRESSAVG: 476800 -10.0772 -104.583 0.358242 -104.583 52.4804 -48.4775 0.358229 -48.4775 -12.2875 GPRESSAVG: 476800 -9.91577 -105.535 0.833818 -105.563 53.3071 -48.4881 0.905388 -47.1476 -13.4404 TIMING: 476800 CPU: 1506.56, 0.00315282/step Wall: 1506.56, 0.00315282/step, 3.96135 hours remaining, 232.906250 MB of memory in use. ENERGY: 476800 4036.8960 20493.9383 14539.1969 254.8363 -203203.8279 2620.0129 0.0000 0.0000 52301.2699 -108957.6775 300.5761 -161258.9474 -108594.6408 299.1848 -131.0067 -103.7821 762250.6243 10.0386 9.9836 PRESSURE: 477000 110.932 195.079 -27.6266 195.079 -116.333 -142.504 -27.6271 -142.506 -178.671 GPRESSURE: 477000 139.332 169.621 -78.5662 169.469 -183.832 -220.027 -5.1538 -157.892 -82.2137 PRESSAVG: 477000 29.7399 -89.026 7.08681 -89.0261 -23.3138 -29.3996 7.08681 -29.3996 9.06247 GPRESSAVG: 477000 29.6671 -89.1779 7.1734 -88.1455 -23.8862 -29.6044 6.43905 -30.7362 9.69923 TIMING: 477000 CPU: 1507.19, 0.00314038/step Wall: 1507.19, 0.00314038/step, 3.94554 hours remaining, 232.906250 MB of memory in use. ENERGY: 477000 3970.5015 20676.3118 14523.2544 260.3342 -202701.8481 2370.5039 0.0000 0.0000 51953.0192 -108947.9231 298.5747 -160900.9423 -108584.0507 300.4425 -61.3576 -42.2379 763336.6366 5.1629 5.1601 PRESSURE: 477200 24.9969 97.6406 95.5533 97.6404 -128.045 -87.8868 95.5536 -87.8881 -212.873 GPRESSURE: 477200 28.4613 57.9319 56.5735 45.9153 -78.4419 -40.8751 169.905 -16.5698 -196.639 PRESSAVG: 477200 -1.20805 -60.7807 36.9403 -60.7807 -51.1946 -30.1349 36.9403 -30.1349 8.77372 GPRESSAVG: 477200 -1.18699 -61.8001 36.6917 -58.532 -50.9391 -29.4241 36.1674 -26.783 8.65871 TIMING: 477200 CPU: 1507.82, 0.00312751/step Wall: 1507.82, 0.00312751/step, 3.92919 hours remaining, 232.906250 MB of memory in use. ENERGY: 477200 3931.3870 20606.0581 14466.2282 247.1733 -203195.2903 2671.5895 0.0000 0.0000 52355.1750 -108917.6792 300.8859 -161272.8542 -108558.4536 300.0507 -105.3070 -82.2065 763449.9354 -14.5430 -14.4891 PRESSURE: 477400 -64.8686 -236.108 -110.232 -236.108 -196.36 -291.509 -110.232 -291.507 212.451 GPRESSURE: 477400 -68.802 -313.108 -253.529 -218.831 -50.2518 -231.452 -47.4636 -301.577 166.283 PRESSAVG: 477400 4.06343 -69.5034 -15.2636 -69.5034 -3.36637 -61.0793 -15.2636 -61.0793 -21.7689 GPRESSAVG: 477400 3.25734 -67.7732 -13.7564 -70.7773 -2.99981 -61.7802 -14.0923 -62.5578 -21.5502 TIMING: 477400 CPU: 1508.45, 0.00314298/step Wall: 1508.45, 0.00314298/step, 3.94845 hours remaining, 232.906250 MB of memory in use. ENERGY: 477400 3931.4477 20618.9672 14548.6554 251.2773 -202824.3262 2616.2903 0.0000 0.0000 51787.9489 -109069.7393 297.6261 -160857.6882 -108711.1791 299.9176 -16.2593 15.7432 762708.5803 -7.0239 -7.0975 PRESSURE: 477600 -70.3894 -17.5358 7.13955 -17.5348 -9.75027 -106.6 7.14014 -106.6 -75.459 GPRESSURE: 477600 28.4102 -128.245 1.5055 -52.0569 -31.8535 -136.191 93.3463 -68.6425 -44.4989 PRESSAVG: 477600 -34.395 -27.8257 -14.976 -27.8256 -22.2168 -21.5914 -14.976 -21.5914 3.49207 GPRESSAVG: 477600 -33.063 -29.2241 -15.9738 -28.0346 -22.2988 -21.8787 -13.159 -21.8374 2.4519 TIMING: 477600 CPU: 1509.08, 0.00316658/step Wall: 1509.08, 0.00316658/step, 3.97793 hours remaining, 232.906250 MB of memory in use. ENERGY: 477600 4060.0742 20394.2071 14578.4973 246.8369 -203612.7886 2968.3700 0.0000 0.0000 52028.9060 -109335.8971 299.0108 -161364.8031 -108980.4081 299.9067 -51.8662 -15.9808 762488.8636 -17.7066 -17.6366 PRESSURE: 477800 18.3199 107.225 47.0945 107.225 301.012 -198.304 47.0953 -198.305 36.5025 GPRESSURE: 477800 -7.70138 122.182 32.4461 61.5916 347.861 -245.802 -204.168 -46.8693 98.4368 PRESSAVG: 477800 -46.1695 -32.2527 -51.4414 -32.2527 -1.25163 -24.5976 -51.4414 -24.5976 2.70801 GPRESSAVG: 477800 -47.5048 -30.8982 -52.5337 -33.1698 -0.818413 -23.3349 -54.1755 -23.1997 3.3124 TIMING: 477800 CPU: 1509.71, 0.00315208/step Wall: 1509.71, 0.00315208/step, 3.95954 hours remaining, 232.906250 MB of memory in use. ENERGY: 477800 4001.9973 20560.2082 14499.5254 254.7246 -203256.8383 2560.9934 0.0000 0.0000 51912.6288 -109466.7605 298.3426 -161379.3893 -109107.0191 298.8670 118.6114 146.1988 761476.2475 -14.9044 -15.0036 PRESSURE: 478000 -37.5089 34.5651 -312.028 34.5645 -167.448 58.4913 -312.027 58.4918 286.633 GPRESSURE: 478000 19.4765 -26.4157 -243.715 153.359 -102.74 62.1432 -392.472 97.2175 255.103 PRESSAVG: 478000 -76.4655 -10.4989 22.5196 -10.4989 64.5349 -7.99952 22.5197 -7.99955 -6.25355 GPRESSAVG: 478000 -74.8424 -10.9977 23.3819 -10.745 62.8956 -8.74258 22.991 -9.1077 -6.33379 TIMING: 478000 CPU: 1510.34, 0.0031515/step Wall: 1510.34, 0.0031515/step, 3.95863 hours remaining, 232.906250 MB of memory 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 3938.9240 20311.6386 14483.8713 229.2290 -203433.1504 2519.7927 0.0000 0.0000 52371.5283 -109578.1664 300.9799 -161949.6947 -109200.7853 298.6415 27.2255 57.2801 761622.9188 -6.0614 -6.0935 PRESSURE: 478200 -201.593 -230.331 115.913 -230.331 -285.635 -125.118 115.912 -125.118 -68.3612 GPRESSURE: 478200 -224.016 -181.053 120.172 -118.076 -252.95 -175.823 171.821 -135.97 4.32344 PRESSAVG: 478200 35.1777 35.7086 -28.1107 35.7086 17.087 -28.4972 -28.1106 -28.4972 5.79098 GPRESSAVG: 478200 33.8017 36.218 -28.4289 37.0199 18.4778 -26.7844 -27.9147 -29.8179 5.65256 TIMING: 478200 CPU: 1510.97, 0.00314999/step Wall: 1510.97, 0.00314999/step, 3.95656 hours remaining, 232.906250 MB of memory in use. ENERGY: 478200 4042.9601 20663.9306 14454.9305 267.0276 -203314.9546 2473.6784 0.0000 0.0000 51766.5544 -109645.8731 297.5031 -161412.4275 -109278.7947 298.9971 -185.1966 -157.5475 761604.2457 19.3519 19.3107 PRESSURE: 478400 20.1626 82.728 -115.255 82.7279 -12.5492 90.9846 -115.255 90.9845 -18.193 GPRESSURE: 478400 82.8988 105.009 -40.2858 2.59421 -13.7412 36.4958 -173.971 137.867 7.89069 PRESSAVG: 478400 29.9676 -18.095 8.81262 -18.095 -26.5752 42.6863 8.81259 42.6863 -1.54022 GPRESSAVG: 478400 30.672 -16.6662 10.559 -18.7455 -27.2157 40.4602 7.17567 43.5895 -1.37107 TIMING: 478400 CPU: 1511.6, 0.00315678/step Wall: 1511.6, 0.00315678/step, 3.96492 hours remaining, 232.906250 MB of memory in use. ENERGY: 478400 3922.4265 20595.9490 14513.9127 246.6820 -203743.4698 2898.2559 0.0000 0.0000 52131.4754 -109434.7683 299.6003 -161566.2437 -109075.3889 298.5568 -3.5265 25.6828 762288.9461 0.6174 0.6951 PRESSURE: 478600 -32.6216 -104.548 -115.073 -104.547 142.124 11.3123 -115.073 11.3124 -204.83 GPRESSURE: 478600 30.3398 -168.914 -56.6592 -13.8043 152.168 -15.0808 -125.026 -12.3724 -193.783 PRESSAVG: 478600 29.1309 32.6736 27.5925 32.6736 6.05079 -9.1625 27.5925 -9.16255 -24.5524 GPRESSAVG: 478600 28.9448 31.3809 27.0959 34.4646 6.18434 -9.82706 26.8735 -8.45884 -24.7694 TIMING: 478600 CPU: 1512.23, 0.00314941/step Wall: 1512.23, 0.00314941/step, 3.95548 hours remaining, 232.906250 MB of memory in use. ENERGY: 478600 3998.4057 20601.2698 14508.9255 240.8979 -203601.4746 2788.6949 0.0000 0.0000 52171.1196 -109292.1611 299.8281 -161463.2807 -108932.7580 299.0825 -31.7759 -3.7583 763557.1429 3.5431 3.4532 PRESSURE: 478800 473.505 -12.5018 6.57671 -12.5025 -145.137 46.0427 6.57684 46.0425 479.608 GPRESSURE: 478800 387.417 -31.5668 -10.3211 -40.3856 29.7307 19.8254 127.688 -47.3961 466.824 PRESSAVG: 478800 16.6815 29.0701 -9.8799 29.0702 1.17935 47.7045 -9.87991 47.7045 19.3131 GPRESSAVG: 478800 16.8426 28.8145 -10.4132 26.4832 -0.0417064 49.0474 -8.06356 46.8402 20.0577 TIMING: 478800 CPU: 1512.86, 0.00315816/step Wall: 1512.86, 0.00315816/step, 3.96629 hours remaining, 232.906250 MB of memory in use. ENERGY: 478800 3981.2941 20596.1632 14521.1314 252.5369 -203599.4910 2916.6040 0.0000 0.0000 51975.3829 -109356.3785 298.7032 -161331.7614 -108991.2947 298.9202 269.3255 294.6574 761548.1516 12.3913 12.2862 PRESSURE: 479000 486.472 -48.7089 67.4653 -48.7102 31.8435 122.88 67.4644 122.88 -182.968 GPRESSURE: 479000 449.512 -41.8671 18.7096 -29.7854 50.0072 168.688 43.4859 229.232 -83.4487 PRESSAVG: 479000 47.5059 -26.6563 35.3819 -26.6562 -29.9962 22.1223 35.3818 22.1223 -15.6619 GPRESSAVG: 479000 46.93 -27.1011 35.118 -26.1771 -28.9479 22.6642 34.8948 23.986 -15.1219 TIMING: 479000 CPU: 1513.49, 0.00315111/step Wall: 1513.49, 0.00315111/step, 3.95727 hours remaining, 232.906250 MB of memory in use. ENERGY: 479000 3917.5771 20638.9719 14496.1841 240.6147 -203432.8702 2707.0903 0.0000 0.0000 52028.4688 -109403.9633 299.0083 -161432.4321 -109051.8871 298.6952 111.7824 138.6900 761378.3869 0.6159 0.9534 PRESSURE: 479200 13.4709 -115.475 170.757 -115.474 -460.589 -39.3425 170.757 -39.3416 14.0055 GPRESSURE: 479200 -73.8494 -24.7223 147.878 -89.9646 -347.74 18.1851 171.269 22.8461 48.0388 PRESSAVG: 479200 29.2016 -8.40969 -32.1365 -8.40975 -27.4998 1.28284 -32.1365 1.28285 13.5267 GPRESSAVG: 479200 28.1522 -7.88006 -31.3577 -8.0567 -26.2641 2.42202 -30.7074 0.675763 12.5661 TIMING: 479200 CPU: 1514.13, 0.00317777/step Wall: 1514.13, 0.00317777/step, 3.99057 hours remaining, 232.906250 MB of memory in use. ENERGY: 479200 3899.2370 20439.7612 14552.5495 249.9853 -202769.1786 2495.0844 0.0000 0.0000 51947.8148 -109184.7463 298.5448 -161132.5611 -108814.2937 298.9645 -144.3708 -124.5169 762857.5585 5.0761 4.8181 PRESSURE: 479400 103.453 -301.189 47.5283 -301.189 296.429 200.811 47.5273 200.811 -42.6131 GPRESSURE: 479400 168.304 -323.007 28.8752 -314.794 277.498 293.701 47.5491 -17.7975 -20.7839 PRESSAVG: 479400 -4.41594 8.09746 19.5223 8.0975 -25.8091 28.892 19.5223 28.8921 12.0624 GPRESSAVG: 479400 -3.57831 8.40788 18.582 9.21085 -27.6031 26.3764 19.4855 28.1896 12.8256 TIMING: 479400 CPU: 1514.76, 0.00316061/step Wall: 1514.76, 0.00316061/step, 3.96885 hours remaining, 232.894531 MB of memory in use. ENERGY: 479400 3927.0574 20663.0151 14495.7380 236.5796 -203284.1554 2787.5812 0.0000 0.0000 52063.1715 -109111.0126 299.2078 -161174.1841 -108749.7889 299.5494 119.0895 141.6729 761013.7475 -6.0542 -6.1186 PRESSURE: 479600 47.9102 17.6629 275.855 17.6629 -394.335 -76.4786 275.856 -76.4799 -183.564 GPRESSURE: 479600 20.6787 57.8573 288.884 129.227 -367.016 -13.7813 261.34 -52.804 -94.9264 PRESSAVG: 479600 6.68525 8.94752 4.46766 8.94749 2.09118 -75.6747 4.46764 -75.6747 -17.1883 GPRESSAVG: 479600 7.30265 7.7503 4.79749 8.03883 2.34525 -75.3596 3.06786 -75.2469 -18.0938 TIMING: 479600 CPU: 1515.39, 0.00316452/step Wall: 1515.39, 0.00316452/step, 3.97359 hours remaining, 232.894531 MB of memory in use. ENERGY: 479600 3974.8242 20532.4347 14440.9817 234.9973 -202854.8494 2641.7609 0.0000 0.0000 52082.8015 -108947.0492 299.3206 -161029.8506 -108569.5674 299.5503 -176.6630 -147.0878 764721.8817 -2.8040 -2.8153 PRESSURE: 479800 241.17 65.4098 214.007 65.4099 292.881 -77.1918 214.007 -77.1927 661.518 GPRESSURE: 479800 326.766 111.176 88.7095 241.466 261.885 -82.4742 152.404 -150.882 679.772 PRESSAVG: 479800 -5.34712 65.2129 -1.85152 65.2129 47.2456 0.0765737 -1.85154 0.0765507 9.7981 GPRESSAVG: 479800 -5.96378 66.731 -2.23054 65.3826 46.2241 2.07164 0.536642 1.96715 11.5688 TIMING: 479800 CPU: 1516.03, 0.00316953/step Wall: 1516.03, 0.00316953/step, 3.97969 hours remaining, 232.894531 MB of memory in use. ENERGY: 479800 4000.4217 20672.8656 14421.4224 220.3862 -203146.1069 2807.5199 0.0000 0.0000 52133.7560 -108889.7351 299.6134 -161023.4911 -108529.9062 299.4458 398.5229 422.8076 763180.3191 17.2322 17.2764 PRESSURE: 480000 -73.4035 26.4612 -110.094 26.4612 -119.304 -88.4658 -110.093 -88.4656 135.913 GPRESSURE: 480000 -9.7051 -22.0485 -81.8742 -54.7145 -150.568 -56.8505 -64.4303 -287.857 189.84 PRESSAVG: 480000 -72.7438 -26.0744 13.7421 -26.0745 107.663 -25.5805 13.7422 -25.5805 8.7043 GPRESSAVG: 480000 -72.7337 -26.4845 15.3074 -26.2978 108.377 -26.0582 12.4763 -29.7628 7.81958 TIMING: 480000 CPU: 1516.66, 0.00316121/step Wall: 1516.66, 0.00316121/step, 3.96908 hours remaining, 232.894531 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: 480000 3945.0777 20500.2609 14449.4123 259.1625 -203183.0475 2670.1515 0.0000 0.0000 52209.1282 -109149.8544 300.0466 -161358.9826 -108782.5765 299.5054 -18.9315 9.8556 762944.1972 14.5411 14.4877 PRESSURE: 480200 -265.536 -177.437 -105.541 -177.436 159.182 49.6323 -105.54 49.6322 218.655 GPRESSURE: 480200 -198.809 -178.799 -99.605 -204.614 166.096 32.5542 106.324 46.5807 232.104 PRESSAVG: 480200 -38.8118 5.11112 4.98932 5.1111 -4.0486 -14.3788 4.98933 -14.3788 24.4574 GPRESSAVG: 480200 -39.5136 6.22832 3.077 5.18901 -2.9665 -15.3441 7.56258 -12.4639 24.3259 TIMING: 480200 CPU: 1517.29, 0.00314826/step Wall: 1517.29, 0.00314826/step, 3.95264 hours remaining, 232.894531 MB of memory in use. ENERGY: 480200 3933.8698 20554.2136 14423.1072 215.7198 -203189.2621 2708.2931 0.0000 0.0000 52041.8753 -109312.1832 299.0854 -161354.0586 -108948.7509 299.2170 37.4336 66.4639 762899.9530 -6.1344 -6.0514 LDB: ============= START OF LOAD BALANCING ============== 1529.82 LDB: ============== END OF LOAD BALANCING =============== 1529.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1529.82 LDB: ============= START OF LOAD BALANCING ============== 1530.14 LDB: Largest compute 7076 load 0.030533 is 15.6% of average load 0.195115 LDB: Average compute 0.004408 is 2.3% of average load 0.195115 LDB: TIME 1530.14 LOAD: AVG 0.195115 MAX 0.221913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.625 MB LDB: TIME 1530.14 LOAD: AVG 0.195115 MAX 0.221913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.723 MB LDB: TIME 1530.14 LOAD: AVG 0.195115 MAX 0.216652 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.723 MB LDB: ============== END OF LOAD BALANCING =============== 1530.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1530.15 PRESSURE: 480400 -195.238 -43.8891 -176.015 -43.8903 -64.7226 -3.17894 -176.015 -3.17922 -265.797 GPRESSURE: 480400 -35.1804 -63.7094 -160.981 18.5061 -95.2872 64.9244 -298.928 74.8807 -298.776 PRESSAVG: 480400 -3.16811 -64.3297 31.874 -64.3297 33.6691 -16.2995 31.874 -16.2995 -0.40288 GPRESSAVG: 480400 -0.938211 -65.3089 32.3017 -64.167 31.9999 -15.7034 28.816 -17.0091 -1.54875 TIMING: 480400 CPU: 1517.93, 0.00322206/step Wall: 1517.93, 0.00322206/step, 4.04511 hours remaining, 232.113281 MB of memory in use. ENERGY: 480400 4037.8197 20335.1876 14508.7352 241.7707 -203651.5292 2790.4613 0.0000 0.0000 52129.6768 -109607.8779 299.5900 -161737.5547 -109243.1208 298.8581 -175.2526 -143.0811 761339.3995 10.0327 9.8376 PRESSURE: 480600 -255.557 102.174 -91.0542 102.174 -155.468 26.3849 -91.0543 26.3851 -401.68 GPRESSURE: 480600 -232.261 73.912 -42.6673 94.6562 -75.0876 38.1092 -115.214 1.92182 -408.783 PRESSAVG: 480600 -24.3293 12.7593 62.8833 12.7593 -28.9157 -40.3694 62.8832 -40.3693 17.3028 GPRESSAVG: 480600 -26.3708 11.7391 63.5183 13.4572 -27.5315 -40.1082 62.5156 -40.8894 18.6964 TIMING: 480600 CPU: 1518.56, 0.00314701/step Wall: 1518.56, 0.00314701/step, 3.95072 hours remaining, 232.355469 MB of memory in use. ENERGY: 480600 4054.7376 20329.3446 14456.3567 253.2331 -202971.2663 2508.4193 0.0000 0.0000 51991.8918 -109377.2831 298.7981 -161369.1749 -109010.0588 299.1185 -270.9018 -238.7105 763238.6913 -11.9808 -11.7353 PRESSURE: 480800 -183.685 -112.747 -74.7009 -112.748 -422.008 -30.4049 -74.7014 -30.4039 39.9367 GPRESSURE: 480800 -156.371 -119.381 -26.9775 -164.395 -296.669 102.936 -70.3978 -76.6642 6.27756 PRESSAVG: 480800 9.79493 25.6107 75.7155 25.6108 -9.99593 -31.2075 75.7156 -31.2075 -25.4624 GPRESSAVG: 480800 11.4892 26.4635 74.772 25.7449 -10.823 -31.557 76.5646 -27.8562 -26.2075 TIMING: 480800 CPU: 1519.2, 0.00316765/step Wall: 1519.2, 0.00316765/step, 3.97646 hours remaining, 232.355469 MB of memory in use. ENERGY: 480800 3972.1176 20500.2148 14504.5788 231.8422 -203235.5871 2608.9021 0.0000 0.0000 52030.0167 -109387.9150 299.0172 -161417.9317 -109013.6110 298.8970 -188.5852 -148.9208 763045.2005 -8.5545 -8.5138 PRESSURE: 481000 -317.123 -211.275 57.3341 -211.276 -138.504 -123.385 57.3334 -123.385 -53.7191 GPRESSURE: 481000 -301.597 -149.182 18.4108 -368.248 -83.1224 -65.5149 66.7294 -105.756 -46.458 PRESSAVG: 481000 -45.6719 -26.1772 -0.0237789 -26.1772 36.94 0.689097 -0.0238246 0.689118 -20.5577 GPRESSAVG: 481000 -46.4145 -25.316 0.837447 -28.4096 37.7175 0.246573 -0.482597 -2.98396 -20.3845 TIMING: 481000 CPU: 1519.83, 0.00315625/step Wall: 1519.83, 0.00315625/step, 3.96197 hours remaining, 232.355469 MB of memory in use. ENERGY: 481000 4041.8475 20452.1027 14439.4830 241.8011 -203008.8543 2456.9775 0.0000 0.0000 52174.3616 -109202.2810 299.8468 -161376.6425 -108837.2992 299.1514 -169.7821 -143.7258 764071.5869 -9.7632 -9.6938 PRESSURE: 481200 -353.939 -60.8474 -162.105 -60.8466 -129.029 -20.5208 -162.104 -20.5207 -490.071 GPRESSURE: 481200 -408.921 -71.9334 -153.445 -135.015 -6.28986 -37.7778 34.4469 33.4402 -485.806 PRESSAVG: 481200 -25.986 -51.5148 -30.7825 -51.5148 -5.29202 -10.199 -30.7825 -10.199 -5.58603 GPRESSAVG: 481200 -25.7586 -51.7938 -31.3465 -51.1475 -6.13021 -9.701 -30.0679 -8.4292 -5.32507 TIMING: 481200 CPU: 1520.46, 0.00315597/step Wall: 1520.46, 0.00315597/step, 3.96144 hours remaining, 232.355469 MB of memory in use. ENERGY: 481200 4027.9121 20689.8090 14486.7119 250.4966 -203240.3878 2624.9496 0.0000 0.0000 51808.4887 -109352.0199 297.7441 -161160.5086 -108997.7074 299.3680 -324.3461 -300.3391 762909.7897 -12.2880 -12.4046 PRESSURE: 481400 -3.94884 -127.567 -116.67 -127.567 -192.039 -7.35561 -116.67 -7.35549 -8.14319 GPRESSURE: 481400 46.3318 -111.867 -119.988 -92.5273 -199.678 -7.04742 -113.285 -3.73181 22.027 PRESSAVG: 481400 -15.8932 -48.0885 45.2036 -48.0884 39.7529 -71.8299 45.2037 -71.8299 -0.681917 GPRESSAVG: 481400 -16.8397 -46.2139 45.647 -46.6341 40.0927 -71.722 45.5013 -71.9574 -0.0672198 TIMING: 481400 CPU: 1521.09, 0.00315498/step Wall: 1521.09, 0.00315498/step, 3.96003 hours remaining, 232.355469 MB of memory in use. ENERGY: 481400 3910.4236 20668.8390 14484.1396 255.6912 -203283.5649 2630.9720 0.0000 0.0000 51810.7838 -109522.7159 297.7573 -161333.4996 -109163.8849 298.7003 -68.0437 -43.7731 760530.3938 7.7259 7.7286 PRESSURE: 481600 -199.461 107.843 242.286 107.843 -101.413 10.1641 242.286 10.1639 532.216 GPRESSURE: 481600 -193.37 81.941 221.58 144.797 -32.5007 49.4384 147.812 -62.0673 522.309 PRESSAVG: 481600 2.23978 15.8331 39.8383 15.8331 -31.4757 -42.5337 39.8382 -42.5337 4.64274 GPRESSAVG: 481600 3.96131 14.2855 39.075 15.1284 -32.482 -43.6938 37.7686 -42.2202 4.17301 TIMING: 481600 CPU: 1521.72, 0.0031721/step Wall: 1521.72, 0.0031721/step, 3.98133 hours remaining, 232.355469 MB of memory in use. ENERGY: 481600 3958.5434 20680.1917 14426.9994 239.0338 -203435.5068 2725.2774 0.0000 0.0000 51783.8634 -109621.5977 297.6026 -161405.4611 -109272.9148 298.4484 77.1140 98.8128 762045.9605 -8.1977 -8.1159 PRESSURE: 481800 351.94 22.2673 -88.2465 22.2669 -0.59028 297.151 -88.2463 297.151 40.6436 GPRESSURE: 481800 376.959 135.191 -69.1444 17.36 11.7041 332.035 4.01983 113.439 63.5186 PRESSAVG: 481800 20.5324 3.83731 15.37 3.83733 43.9195 -31.6512 15.3701 -31.6511 -13.523 GPRESSAVG: 481800 18.4139 4.35265 15.7637 3.42195 44.9211 -30.579 17.7384 -30.4857 -12.6297 TIMING: 481800 CPU: 1522.36, 0.00318128/step Wall: 1522.36, 0.00318128/step, 3.99268 hours remaining, 232.355469 MB of memory in use. ENERGY: 481800 3898.9892 20619.3305 14465.2757 230.7140 -203395.2071 2425.7315 0.0000 0.0000 52161.0124 -109594.1538 299.7701 -161755.1662 -109229.6495 298.7007 130.6645 150.7274 761533.2165 16.9763 16.9017 PRESSURE: 482000 42.4078 12.8817 -0.136955 12.8811 458.448 234.951 -0.137364 234.951 100.298 GPRESSURE: 482000 112.658 45.2731 26.7623 -26.2994 488.328 56.7783 57.0239 297.282 89.7736 PRESSAVG: 482000 26.84 -7.84134 9.02992 -7.84129 8.34519 -55.4617 9.02991 -55.4617 -8.25188 GPRESSAVG: 482000 27.9549 -7.50658 8.27806 -6.63366 7.98565 -55.4331 8.27215 -56.1935 -8.93008 TIMING: 482000 CPU: 1523, 0.00318836/step Wall: 1523, 0.00318836/step, 4.00139 hours remaining, 232.355469 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: 482000 4009.0021 20459.0338 14429.9227 270.5091 -203310.1052 2572.3163 0.0000 0.0000 52098.9909 -109470.3303 299.4136 -161569.3212 -109100.2784 298.7651 200.3845 230.2530 760899.8954 8.9778 9.0035 PRESSURE: 482200 60.8253 45.8885 -43.0094 45.888 -258.65 46.5841 -43.0097 46.5834 319.846 GPRESSURE: 482200 161.549 56.0094 -56.5099 69.5842 -288.383 153.151 -141.553 -13.1193 317.196 PRESSAVG: 482200 57.2992 -24.5029 7.13579 -24.5029 -16.6634 12.7921 7.13573 12.792 14.5469 GPRESSAVG: 482200 57.6295 -24.3364 8.45785 -23.4269 -16.76 14.7178 5.38205 12.8143 14.2545 TIMING: 482200 CPU: 1523.64, 0.00318987/step Wall: 1523.64, 0.00318987/step, 4.00311 hours remaining, 232.355469 MB of memory in use. ENERGY: 482200 4034.3101 20650.5396 14509.7874 250.3824 -203101.8032 2488.8072 0.0000 0.0000 51730.2202 -109437.7564 297.2943 -161167.9766 -109089.2532 299.2391 40.6737 63.4540 760112.0541 18.3942 18.3747 PRESSURE: 482400 -56.4663 93.6602 89.6699 93.6606 -19.45 106.949 89.6709 106.948 -109.882 GPRESSURE: 482400 -8.81056 143.763 42.4951 78.9706 -55.7758 95.9456 68.2115 109.028 -29.1492 PRESSAVG: 482400 1.06152 4.88164 -23.9851 4.8816 -6.8164 5.40699 -23.9851 5.40694 -4.64841 GPRESSAVG: 482400 0.514131 3.5944 -25.9739 3.03014 -6.59348 2.98483 -20.8317 5.05926 -3.81614 TIMING: 482400 CPU: 1524.27, 0.00318291/step Wall: 1524.27, 0.00318291/step, 3.9942 hours remaining, 232.355469 MB of memory in use. ENERGY: 482400 3988.0091 20599.8533 14458.8219 259.4389 -203732.5735 2857.1405 0.0000 0.0000 52028.6476 -109540.6622 299.0094 -161569.3098 -109184.9021 298.9155 -61.9328 -31.2452 760610.1171 -3.4678 -3.2985 PRESSURE: 482600 -317.269 164.319 -42.9944 164.319 -306.718 -106.852 -42.9943 -106.851 10.0094 GPRESSURE: 482600 -209.126 43.0826 -38.3071 156.287 -291.963 98.2624 -64.7954 -191.774 -31.8112 PRESSAVG: 482600 -14.2008 23.9457 -0.919993 23.9458 26.2305 25.5461 -0.919975 25.5461 -9.5573 GPRESSAVG: 482600 -14.1181 24.4005 1.01058 23.123 27.2211 25.801 -0.503767 25.5357 -9.51656 TIMING: 482600 CPU: 1524.91, 0.00318101/step Wall: 1524.91, 0.00318101/step, 3.99164 hours remaining, 232.355469 MB of memory in use. ENERGY: 482600 3926.2973 20688.4230 14405.7003 236.6333 -203307.4739 2464.0447 0.0000 0.0000 52188.8912 -109397.4842 299.9303 -161586.3754 -109034.8031 299.2469 -204.6593 -177.6333 761129.1236 0.8241 1.1955 PRESSURE: 482800 -90.827 9.15156 -11.839 9.1514 -376.034 -23.6535 -11.8395 -23.653 -28.6294 GPRESSURE: 482800 -113.772 155.962 46.5573 -21.3617 -268.944 -141.278 -62.1734 46.5206 -38.4699 PRESSAVG: 482800 -6.64351 2.91332 -22.5633 2.91334 -2.26086 -17.2728 -22.5633 -17.2728 7.59007 GPRESSAVG: 482800 -5.66936 1.99924 -23.3951 4.67573 -2.46504 -16.0819 -24.113 -17.1945 7.0493 TIMING: 482800 CPU: 1525.54, 0.00317063/step Wall: 1525.54, 0.00317063/step, 3.97844 hours remaining, 232.355469 MB of memory in use. ENERGY: 482800 3975.6457 20532.7049 14471.8171 236.8479 -202960.3710 2187.7873 0.0000 0.0000 52181.9300 -109373.6379 299.8903 -161555.5680 -109006.3346 299.2614 -165.1635 -140.3950 761219.0292 -0.4381 -0.3617 PRESSURE: 483000 -78.9213 -41.0166 -56.4619 -41.0159 -132.928 40.8761 -56.4619 40.8766 -3.20478 GPRESSURE: 483000 -103.324 -2.1541 21.5154 20.2299 -100.474 -7.72427 16.9917 59.9208 53.923 PRESSAVG: 483000 0.0067715 -29.574 3.55908 -29.5741 21.9042 -15.4586 3.55919 -15.4587 0.740683 GPRESSAVG: 483000 0.089164 -28.47 4.36085 -28.8573 21.1444 -17.6287 2.63761 -15.6411 1.30046 TIMING: 483000 CPU: 1526.18, 0.00317072/step Wall: 1526.18, 0.00317073/step, 3.97838 hours remaining, 232.355469 MB of memory in use. ENERGY: 483000 3964.5930 20589.8688 14483.2087 223.5607 -203351.2195 2598.6745 0.0000 0.0000 52190.9665 -109300.3472 299.9422 -161491.3138 -108935.2539 299.4040 -71.6846 -49.9581 761717.8408 7.5506 7.5113 PRESSURE: 483200 -58.6608 176.5 -42.4331 176.5 -365.347 102.99 -42.4336 102.991 -3.80837 GPRESSURE: 483200 -100.689 245.701 13.4526 65.6483 -224.188 169.683 13.326 118.025 -27.758 PRESSAVG: 483200 25.636 20.5794 19.7927 20.5793 -16.9135 -3.17459 19.7926 -3.17467 -7.45672 GPRESSAVG: 483200 25.383 20.6309 19.1166 17.5606 -16.6544 -0.670193 22.5163 -3.69187 -7.26736 TIMING: 483200 CPU: 1526.81, 0.00314673/step Wall: 1526.81, 0.00314673/step, 3.9481 hours remaining, 232.355469 MB of memory in use. ENERGY: 483200 3931.4645 20557.6792 14421.2911 243.5262 -203314.1762 2699.8304 0.0000 0.0000 52065.5453 -109394.8396 299.2214 -161460.3849 -109033.2361 298.8985 -142.6054 -117.5451 762723.6045 0.4219 0.4871 PRESSURE: 483400 -440.185 246.759 -44.3113 246.759 -425.599 92.6056 -44.3113 92.6054 -369.035 GPRESSURE: 483400 -418.313 266.424 79.6377 162.879 -327.753 48.7352 -105.155 84.7519 -405.457 PRESSAVG: 483400 -3.41778 27.8912 -53.5306 27.8912 9.58761 15.7425 -53.5306 15.7425 -7.83271 GPRESSAVG: 483400 -3.69301 26.3246 -54.0714 29.4603 11.3757 14.1308 -55.5279 16.9258 -8.90306 TIMING: 483400 CPU: 1527.44, 0.00314856/step Wall: 1527.44, 0.00314856/step, 3.95022 hours remaining, 232.355469 MB of memory in use. ENERGY: 483400 3915.0109 20511.4147 14467.0348 229.9545 -202770.0023 2279.2302 0.0000 0.0000 52083.9601 -109283.3970 299.3272 -161367.3571 -108915.7760 299.0167 -411.6063 -383.8412 763860.4573 -0.5543 -0.4068 PRESSURE: 483600 306.31 -77.9034 154.107 -77.9032 -4.22992 -126.193 154.107 -126.194 368.426 GPRESSURE: 483600 420.09 -23.0796 155.106 -23.1812 -45.4913 -30.3026 -31.5442 17.9164 403.82 PRESSAVG: 483600 10.1872 -32.0976 7.11613 -32.0976 -30.8318 -12.4864 7.11617 -12.4865 -10.3754 GPRESSAVG: 483600 11.1836 -32.1536 7.79939 -33.3671 -32.3545 -11.6885 7.52352 -11.452 -10.6232 TIMING: 483600 CPU: 1528.07, 0.00315343/step Wall: 1528.07, 0.00315343/step, 3.95615 hours remaining, 232.355469 MB of memory in use. ENERGY: 483600 3893.3215 20426.0262 14519.3264 251.0940 -202880.7182 2378.0283 0.0000 0.0000 52448.1095 -108964.8123 301.4200 -161412.9218 -108590.5391 299.4103 223.5019 259.4727 760958.3944 -10.3400 -10.5980 PRESSURE: 483800 287.527 41.4244 -45.2961 41.4241 235.312 55.231 -45.2968 55.2319 209.431 GPRESSURE: 483800 252.248 35.7519 -25.2675 27.9526 326.838 160.803 -117.909 -0.443647 249.176 PRESSAVG: 483800 48.3665 -85.3572 46.5391 -85.3572 -19.9104 -37.8526 46.5391 -37.8526 8.42852 GPRESSAVG: 483800 48.1801 -85.8835 46.1007 -81.7459 -20.3519 -38.1726 47.1933 -39.1013 8.99293 TIMING: 483800 CPU: 1528.7, 0.00317676/step Wall: 1528.7, 0.00317676/step, 3.98524 hours remaining, 232.355469 MB of memory in use. ENERGY: 483800 3980.4667 20494.1794 14587.9180 248.6332 -203081.4534 2701.6782 0.0000 0.0000 52057.6944 -109010.8835 299.1763 -161068.5779 -108644.3622 299.7185 244.0902 276.0874 759408.6422 12.2949 12.2737 PRESSURE: 484000 -132.727 -30.5403 -38.395 -30.5404 173.378 199.687 -38.3957 199.687 -108.731 GPRESSURE: 484000 -46.9488 -154.917 33.6979 -49.7514 192.596 220.371 -47.5255 239.118 -127.124 PRESSAVG: 484000 -54.9683 -12.4669 10.0145 -12.4668 51.8731 -6.84132 10.0146 -6.84129 18.8833 GPRESSAVG: 484000 -55.6311 -10.4102 10.2507 -15.4424 53.3911 -7.04787 8.99501 -8.22642 17.9967 TIMING: 484000 CPU: 1529.33, 0.00316309/step Wall: 1529.33, 0.00316309/step, 3.96792 hours remaining, 232.355469 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: 484000 3982.9815 20472.6921 14455.1764 245.0217 -203095.6000 2490.4868 0.0000 0.0000 52139.9761 -109309.2654 299.6492 -161449.2414 -108946.9012 299.7024 -22.6934 6.1743 761178.7067 5.2627 5.2522 PRESSURE: 484200 341.046 -52.4488 27.1118 -52.4491 36.2259 37.4842 27.1122 37.4843 17.7828 GPRESSURE: 484200 234.171 -9.03741 -30.4852 -31.6293 151.619 161.235 -56.4613 31.3857 73.9782 PRESSAVG: 484200 -20.6076 14.3944 -1.78766 14.3944 5.92362 -11.4496 -1.7876 -11.4496 -9.06187 GPRESSAVG: 484200 -20.7846 13.1618 -1.99969 15.362 5.43102 -11.7185 -2.30226 -10.5508 -8.23837 TIMING: 484200 CPU: 1529.97, 0.00318455/step Wall: 1529.97, 0.00318455/step, 3.99467 hours remaining, 232.355469 MB of memory in use. ENERGY: 484200 4013.2992 20486.5753 14521.3976 246.0998 -203352.7931 2628.3257 0.0000 0.0000 51968.9455 -109488.1499 298.6662 -161457.0954 -109137.3602 299.2288 131.6849 153.2560 761818.1562 -7.9153 -7.8640 LDB: ============= START OF LOAD BALANCING ============== 1542.51 LDB: ============== END OF LOAD BALANCING =============== 1542.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1542.51 LDB: ============= START OF LOAD BALANCING ============== 1542.82 LDB: Largest compute 7069 load 0.033389 is 17.1% of average load 0.195215 LDB: Average compute 0.004412 is 2.3% of average load 0.195215 LDB: TIME 1542.83 LOAD: AVG 0.195215 MAX 0.217804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.906 MB LDB: TIME 1542.83 LOAD: AVG 0.195215 MAX 0.217804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.02 MB LDB: TIME 1542.83 LOAD: AVG 0.195215 MAX 0.217804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.02 MB LDB: ============== END OF LOAD BALANCING =============== 1542.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1542.83 PRESSURE: 484400 240.49 -89.9367 118.159 -89.9377 44.0487 -97.2241 118.159 -97.2232 105.558 GPRESSURE: 484400 283.093 -74.095 145.988 1.85333 91.5521 -138.478 109.923 -266.682 93.5913 PRESSAVG: 484400 49.0233 39.2758 -27.6498 39.2757 -25.4521 11.1529 -27.6498 11.153 -22.5034 GPRESSAVG: 484400 49.1159 38.8299 -27.9572 38.5561 -25.0502 9.9153 -24.9386 12.1795 -23.147 TIMING: 484400 CPU: 1530.62, 0.0032314/step Wall: 1530.62, 0.0032314/step, 4.05326 hours remaining, 232.355469 MB of memory in use. ENERGY: 484400 3936.0924 20384.2637 14523.9609 238.7895 -203402.8456 2795.0819 0.0000 0.0000 51927.9507 -109596.7065 298.4306 -161524.6571 -109232.8331 298.3018 130.0323 156.0790 761741.6576 0.3559 0.3062 PRESSURE: 484600 74.2296 -116.567 84.8051 -116.567 -110.75 246.894 84.8046 246.894 -157.082 GPRESSURE: 484600 162.404 -109.716 41.0347 -80.0502 -84.2263 200.116 92.8694 96.7132 -189.677 PRESSAVG: 484600 -7.55649 -0.336062 17.894 -0.336052 -1.7285 -86.9783 17.894 -86.9783 -6.66046 GPRESSAVG: 484600 -7.32949 -1.68779 15.8646 -1.19879 -1.56642 -86.9442 15.8514 -88.0847 -6.85378 TIMING: 484600 CPU: 1531.25, 0.00316201/step Wall: 1531.25, 0.00316201/step, 3.96604 hours remaining, 232.355469 MB of memory in use. ENERGY: 484600 4011.0279 20521.5302 14521.1472 239.4541 -202720.9464 2392.1389 0.0000 0.0000 51723.1988 -109312.4493 297.2539 -161035.6481 -108959.2476 298.5088 -64.5341 -37.1665 763443.8415 -5.3151 -5.2499 PRESSURE: 484800 -620.628 -163.131 -91.3872 -163.13 -281.048 261.276 -91.3868 261.276 -284.59 GPRESSURE: 484800 -567.66 -68.4334 -125.79 -2.64913 -183.977 350.38 14.7273 252.762 -335.925 PRESSAVG: 484800 76.6618 -19.6458 30.0218 -19.6458 -17.4901 -21.8541 30.0218 -21.8541 5.00573 GPRESSAVG: 484800 77.7362 -17.5646 31.8095 -17.6675 -19.1656 -20.7194 30.6045 -22.6077 5.00762 TIMING: 484800 CPU: 1531.88, 0.00314987/step Wall: 1531.88, 0.00314987/step, 3.95064 hours remaining, 232.394531 MB of memory in use. ENERGY: 484800 4050.2181 20604.3603 14481.4022 248.7178 -202671.3078 2429.7034 0.0000 0.0000 51891.5055 -108965.4005 298.2212 -160856.9061 -108606.9300 299.1380 -395.4223 -362.5208 763473.9025 21.3925 21.1927 PRESSURE: 485000 128.738 -306.476 -182.905 -306.476 -101.888 -35.9027 -182.905 -35.9027 118.984 GPRESSURE: 485000 52.3784 -260.152 -135.246 -321.522 -48.8952 17.098 -63.3981 -49.3728 217.025 PRESSAVG: 485000 -11.1837 28.0581 54.2146 28.0581 37.6211 -1.71745 54.2146 -1.71748 0.939453 GPRESSAVG: 485000 -11.9177 28.7216 53.9496 27.724 38.1846 -1.45333 55.3881 -0.635182 1.2145 TIMING: 485000 CPU: 1532.52, 0.00317654/step Wall: 1532.52, 0.00317654/step, 3.9839 hours remaining, 232.394531 MB of memory in use. ENERGY: 485000 4082.5288 20495.7090 14502.4781 241.5295 -203008.5951 2757.2360 0.0000 0.0000 52125.0216 -108804.0921 299.5632 -160929.1137 -108443.4164 299.8696 48.6113 73.5026 763282.0992 9.1256 9.1605 PRESSURE: 485200 -43.8728 19.7524 313.928 19.7529 -301.075 -83.1545 313.929 -83.1536 168.014 GPRESSURE: 485200 69.8262 61.7057 185.279 18.9073 -278.169 -100.735 160.861 -33.1402 123.386 PRESSAVG: 485200 38.1127 -27.4371 50.8513 -27.4371 -4.22065 13.5493 50.8512 13.5494 -22.3394 GPRESSAVG: 485200 38.6067 -29.884 52.9989 -27.5712 -3.97405 12.0946 46.6324 12.7342 -22.7564 TIMING: 485200 CPU: 1533.15, 0.0031676/step Wall: 1533.15, 0.0031676/step, 3.97252 hours remaining, 232.394531 MB of memory in use. ENERGY: 485200 4004.3646 20576.9692 14462.8233 245.0667 -203120.7427 2503.5861 0.0000 0.0000 52266.1137 -109061.8191 300.3741 -161327.9327 -108698.0451 299.7140 -58.9780 -28.3191 761584.6250 3.8509 3.9588 PRESSURE: 485400 0.435683 -52.2683 94.9955 -52.2681 63.9376 100.952 94.996 100.953 103.136 GPRESSURE: 485400 72.9303 64.8466 64.7443 -55.6455 89.5704 187.915 6.36875 54.8855 91.7604 PRESSAVG: 485400 44.9713 -14.6419 5.74154 -14.6419 -7.31619 -16.7798 5.74154 -16.7798 -20.5789 GPRESSAVG: 485400 45.4626 -11.4727 4.9773 -14.4814 -8.23789 -15.7167 10.6798 -15.0214 -20.7238 TIMING: 485400 CPU: 1533.79, 0.00318934/step Wall: 1533.79, 0.00318934/step, 3.99961 hours remaining, 232.394531 MB of memory in use. ENERGY: 485400 3935.1924 20459.6273 14472.3180 230.9415 -203066.8343 2463.0459 0.0000 0.0000 52225.3820 -109280.3272 300.1400 -161505.7092 -108921.6922 300.0508 55.8364 84.7537 760167.5228 5.6921 5.5003 PRESSURE: 485600 180.963 -139.228 74.4716 -139.228 -30.0162 -171.042 74.4717 -171.043 85.6482 GPRESSURE: 485600 167.807 -176.224 92.1104 -175.31 -3.81972 -139.905 148.529 -128.179 154.425 PRESSAVG: 485600 -12.7309 46.7128 20.0579 46.7128 28.9404 29.8434 20.0579 29.8434 8.35732 GPRESSAVG: 485600 -15.2053 44.0059 19.0319 47.8377 30.4874 30.4582 19.2642 29.4196 10.0769 TIMING: 485600 CPU: 1534.42, 0.00318182/step Wall: 1534.42, 0.00318182/step, 3.99 hours remaining, 232.394531 MB of memory in use. ENERGY: 485600 3960.1485 20614.0461 14470.9768 255.4669 -203433.8911 2782.8097 0.0000 0.0000 52077.0190 -109273.4241 299.2873 -161350.4431 -108913.3370 299.7273 78.8651 106.1376 761908.4937 8.1889 8.4530 PRESSURE: 485800 -14.1251 79.1165 154.328 79.1166 60.9612 -31.3377 154.328 -31.3375 37.7422 GPRESSURE: 485800 44.5945 50.7336 110.767 136.332 114.113 -37.9846 169.275 22.1176 23.9961 PRESSAVG: 485800 -5.76352 -6.15389 75.2013 -6.1539 -23.2554 8.69819 75.2012 8.69816 -25.7461 GPRESSAVG: 485800 -4.40546 -5.05051 76.4922 -7.41078 -24.1815 8.12848 74.4261 8.8715 -25.8874 TIMING: 485800 CPU: 1535.05, 0.00315686/step Wall: 1535.05, 0.00315686/step, 3.95852 hours remaining, 232.394531 MB of memory in use. ENERGY: 485800 3959.8900 20393.5156 14492.4059 265.4022 -203354.5115 2747.9868 0.0000 0.0000 52102.6198 -109392.6912 299.4345 -161495.3109 -109028.1038 299.1193 28.1928 60.9013 762245.9161 -18.2550 -18.1581 PRESSURE: 486000 -182.23 14.539 -133.344 14.5394 67.102 111.504 -133.344 111.505 -316.237 GPRESSURE: 486000 -195.192 -63.2063 -38.0683 -3.74142 94.2584 166.101 -155.828 44.5922 -235.235 PRESSAVG: 486000 10.9142 -46.3983 -24.3285 -46.3984 32.3428 -0.844334 -24.3284 -0.844367 9.18537 GPRESSAVG: 486000 9.93002 -45.7189 -25.121 -44.7541 34.8098 -1.12009 -26.4113 -0.200085 7.82086 TIMING: 486000 CPU: 1535.69, 0.00318705/step Wall: 1535.69, 0.00318705/step, 3.9962 hours remaining, 232.394531 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: 486000 3933.8912 20563.3644 14478.8926 233.6265 -203417.9840 2623.9945 0.0000 0.0000 52229.0294 -109355.1854 300.1610 -161584.2149 -108989.1149 299.4077 -143.7882 -112.0561 761153.2479 17.4808 17.5202 PRESSURE: 486200 -393.963 -89.9623 31.6846 -89.9619 -73.215 228.126 31.684 228.125 -442.318 GPRESSURE: 486200 -340.227 -59.8355 15.4534 -191.603 -102.473 219.409 -63.4429 43.5607 -370.414 PRESSAVG: 486200 -94.4614 -10.5096 12.339 -10.5096 94.7944 1.30115 12.339 1.30124 -2.10764 GPRESSAVG: 486200 -93.2211 -11.3512 12.3821 -11.9191 91.8513 1.8653 15.9521 -2.57392 -0.930847 TIMING: 486200 CPU: 1536.32, 0.00315601/step Wall: 1536.32, 0.00315601/step, 3.95711 hours remaining, 232.394531 MB of memory in use. ENERGY: 486200 4027.1012 20686.6160 14485.5017 242.7828 -203718.3686 2940.5574 0.0000 0.0000 51925.2497 -109410.5598 298.4151 -161335.8095 -109050.7195 298.7010 -303.1653 -271.0382 764365.7119 -0.5915 -0.7669 PRESSURE: 486400 -6.36769 -218.773 26.2731 -218.773 -85.9924 60.8515 26.2733 60.8515 141.045 GPRESSURE: 486400 79.3024 -127.038 104.386 -215.536 -158.136 18.4895 39.5313 103.34 217.921 PRESSAVG: 486400 16.185 4.23082 78.7689 4.23086 -39.4043 -4.75665 78.7689 -4.75665 -5.78789 GPRESSAVG: 486400 16.7896 3.59318 78.6677 3.18964 -38.9278 -6.5029 76.6838 -2.86935 -6.34156 TIMING: 486400 CPU: 1536.96, 0.00317152/step Wall: 1536.96, 0.00317152/step, 3.97638 hours remaining, 232.394531 MB of memory in use. ENERGY: 486400 4008.1322 20478.6514 14520.8300 242.0031 -203641.8097 2791.0380 0.0000 0.0000 52054.7811 -109546.3739 299.1595 -161601.1550 -109182.4974 299.2275 16.2283 46.3624 763273.5547 -9.6691 -9.4933 PRESSURE: 486600 -61.0657 -70.1713 -60.6647 -70.1708 -278.929 -0.117683 -60.6638 -0.117751 37.4761 GPRESSURE: 486600 -8.52784 -75.037 -163.521 -24.8826 -252.785 38.1974 47.1499 6.95855 40.7465 PRESSAVG: 486600 16.113 -19.4092 45.9591 -19.4093 10.4074 9.05428 45.959 9.05419 10.8564 GPRESSAVG: 486600 15.1457 -19.5173 45.8566 -18.3855 11.4512 11.1001 46.678 9.40314 10.9946 TIMING: 486600 CPU: 1537.59, 0.00316962/step Wall: 1537.59, 0.00316962/step, 3.97382 hours remaining, 232.394531 MB of memory in use. ENERGY: 486600 3976.8798 20522.3156 14517.6743 249.0791 -203504.0968 2535.2777 0.0000 0.0000 52184.3754 -109518.4949 299.9043 -161702.8703 -109142.4979 298.9453 -100.8394 -73.5222 760502.2499 12.4589 12.5305 PRESSURE: 486800 -58.4733 20.2346 -56.2076 20.234 -19.1518 -103.985 -56.2077 -103.985 -52.5356 GPRESSURE: 486800 -119.189 119.681 -19.5476 22.6722 63.2783 -151.275 -89.8868 16.2572 18.4836 PRESSAVG: 486800 20.6366 -16.5453 52.7793 -16.5453 32.1285 22.687 52.7793 22.687 -23.6458 GPRESSAVG: 486800 19.6085 -16.307 51.9752 -15.5765 33.1867 21.9134 52.3418 21.8528 -23.2809 TIMING: 486800 CPU: 1538.23, 0.00317915/step Wall: 1538.23, 0.00317915/step, 3.9856 hours remaining, 232.394531 MB of memory in use. ENERGY: 486800 3963.7616 20585.3058 14539.6854 244.3163 -203362.3356 2659.3049 0.0000 0.0000 51916.6514 -109453.3102 298.3657 -161369.9616 -109095.2521 299.6040 -43.3869 -12.4758 760514.7625 9.7064 9.8381 PRESSURE: 487000 20.7366 61.9207 164.309 61.92 109.849 451.898 164.308 451.898 -160.748 GPRESSURE: 487000 160.531 164.865 162.849 44.7961 102.793 501.671 335.217 351.386 -202.711 PRESSAVG: 487000 -62.0232 -32.9124 48.2605 -32.9125 35.295 29.5744 48.2605 29.5744 4.00144 GPRESSAVG: 487000 -61.0526 -32.3073 47.8175 -33.2937 35.4975 28.8131 47.975 30.2451 2.7662 TIMING: 487000 CPU: 1538.86, 0.00318597/step Wall: 1538.86, 0.00318597/step, 3.99396 hours remaining, 232.394531 MB of memory in use. ENERGY: 487000 3965.0088 20438.8101 14553.8632 247.8115 -203359.4288 2689.5455 0.0000 0.0000 52187.9606 -109276.4292 299.9249 -161464.3898 -108905.4525 299.8098 -10.0543 20.2041 760488.4019 -7.5756 -7.5963 PRESSURE: 487200 -59.8677 -113.745 80.2243 -113.745 66.4983 188.681 80.2242 188.682 145.093 GPRESSURE: 487200 -50.7334 -240.081 128.796 -44.7199 60.7488 237.23 155.734 123.661 213.516 PRESSAVG: 487200 -21.267 -57.1482 31.0511 -57.1482 23.5651 64.3605 31.0511 64.3604 -12.7962 GPRESSAVG: 487200 -21.2444 -57.3053 32.4253 -58.068 23.1946 64.2975 31.7456 63.9664 -12.6741 TIMING: 487200 CPU: 1539.51, 0.00320158/step Wall: 1539.51, 0.00320159/step, 4.01337 hours remaining, 232.394531 MB of memory in use. ENERGY: 487200 4022.3432 20460.0593 14501.7455 235.8686 -203250.3547 2809.3119 0.0000 0.0000 51993.8231 -109227.2031 298.8092 -161221.0262 -108868.3217 299.3222 50.5746 74.5104 762633.8591 -3.4993 -3.5746 PRESSURE: 487400 266.222 -147.161 37.9513 -147.161 -2.29708 98.5721 37.9512 98.5707 168.968 GPRESSURE: 487400 364.185 -323.88 18.8928 -145.418 -35.0314 92.6251 69.9809 66.9094 203.251 PRESSAVG: 487400 3.26962 -56.3374 -9.21016 -56.3374 -14.9471 79.0565 -9.21018 79.0565 14.7111 GPRESSAVG: 487400 3.72588 -57.8073 -8.11448 -55.8462 -15.5563 78.2685 -9.65901 79.3614 14.8978 TIMING: 487400 CPU: 1540.15, 0.00320643/step Wall: 1540.15, 0.00320643/step, 4.01926 hours remaining, 232.394531 MB of memory in use. ENERGY: 487400 4003.6074 20550.4538 14497.5420 230.7003 -203347.7530 2613.0420 0.0000 0.0000 52429.1694 -109023.2381 301.3112 -161452.4076 -108658.6950 299.9430 144.2975 177.4680 763153.6831 1.0112 1.0224 PRESSURE: 487600 240.241 69.5087 -80.919 69.509 4.81022 -32.4323 -80.918 -32.4321 -286.052 GPRESSURE: 487600 182.047 82.9301 -12.3642 118.719 77.2971 -46.3401 -233.872 -46.094 -224.881 PRESSAVG: 487600 21.6295 -21.5723 -12.9366 -21.5722 -21.2646 35.4893 -12.9365 35.4893 -10.317 GPRESSAVG: 487600 20.467 -19.8593 -13.7787 -21.5236 -20.1882 36.2345 -15.4922 37.9817 -10.4759 TIMING: 487600 CPU: 1540.78, 0.00317485/step Wall: 1540.78, 0.00317485/step, 3.97949 hours remaining, 232.394531 MB of memory in use. ENERGY: 487600 4039.8582 20509.1378 14452.1254 241.3136 -203290.3900 2597.9496 0.0000 0.0000 52148.6898 -109301.3156 299.6992 -161450.0053 -108939.9694 300.0642 -13.6669 11.4877 761179.2097 -3.3174 -3.3990 PRESSURE: 487800 -293.188 -84.4594 -26.8076 -84.4593 -245.185 215.03 -26.8081 215.029 -287.405 GPRESSURE: 487800 -220.17 -1.068 -13.7657 -76.994 -284.328 155.151 49.2312 65.6436 -250.838 PRESSAVG: 487800 -0.101959 3.325 -19.5317 3.32503 -11.5254 39.609 -19.5316 39.609 -41.0841 GPRESSAVG: 487800 -0.479333 5.70738 -20.4401 2.32204 -12.2803 39.7554 -16.1774 36.0711 -40.1184 TIMING: 487800 CPU: 1541.42, 0.00318559/step Wall: 1541.42, 0.00318559/step, 3.99278 hours remaining, 232.394531 MB of memory in use. ENERGY: 487800 4005.3432 20518.7281 14525.9635 247.4014 -203383.0555 2680.7013 0.0000 0.0000 52281.6847 -109123.2333 300.4636 -161404.9180 -108764.6098 299.5858 -275.2594 -251.7787 762982.5384 -17.5705 -17.6260 PRESSURE: 488000 264.563 190.9 47.0288 190.899 255.62 75.439 47.0286 75.4393 -353.012 GPRESSURE: 488000 275.71 160.169 73.7065 81.2813 322.287 79.9461 17.5255 111.012 -365.609 PRESSAVG: 488000 -77.4806 -22.5595 14.2438 -22.5594 42.1503 24.3227 14.2438 24.3228 -5.17675 GPRESSAVG: 488000 -76.7379 -26.0954 14.7392 -20.6466 42.494 26.5619 13.9833 25.2901 -6.15791 TIMING: 488000 CPU: 1542.05, 0.00318041/step Wall: 1542.05, 0.00318041/step, 3.98611 hours remaining, 232.394531 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: 488000 4005.8804 20749.3293 14446.5032 250.3105 -202882.7104 2515.5100 0.0000 0.0000 51876.0749 -109039.1022 298.1325 -160915.1770 -108678.8003 299.2463 55.7239 77.4624 762660.3816 -13.5023 -13.4672 PRESSURE: 488200 208.749 -10.0671 -77.8399 -10.0665 468.884 -40.9256 -77.8392 -40.9264 240.479 GPRESSURE: 488200 287.797 3.52706 -142.075 9.42465 404.918 -93.109 -58.8484 11.5735 299.753 PRESSAVG: 488200 -46.3846 3.3793 26.3394 3.37928 55.0717 10.4072 26.3394 10.4072 10.43 GPRESSAVG: 488200 -45.1532 5.90025 24.8788 1.64232 54.169 7.75311 27.3617 9.29737 10.0529 TIMING: 488200 CPU: 1542.69, 0.0031852/step Wall: 1542.69, 0.0031852/step, 3.99194 hours remaining, 232.394531 MB of memory in use. ENERGY: 488200 3969.4797 20547.5854 14509.8407 229.2485 -203333.4094 2828.5625 0.0000 0.0000 52012.6928 -109235.9998 298.9177 -161248.6926 -108870.4090 299.4442 306.0372 330.8228 760699.4727 6.3724 6.3562 LDB: ============= START OF LOAD BALANCING ============== 1555.22 LDB: ============== END OF LOAD BALANCING =============== 1555.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1555.23 LDB: ============= START OF LOAD BALANCING ============== 1555.54 LDB: Largest compute 7069 load 0.032547 is 16.7% of average load 0.195243 LDB: Average compute 0.004399 is 2.3% of average load 0.195243 LDB: TIME 1555.55 LOAD: AVG 0.195243 MAX 0.216396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 1555.55 LOAD: AVG 0.195243 MAX 0.216396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 1555.55 LOAD: AVG 0.195243 MAX 0.216396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 1555.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1555.55 PRESSURE: 488400 -78.0619 166.572 153.764 166.572 154.048 -13.2733 153.764 -13.2732 -283.467 GPRESSURE: 488400 -49.9993 95.315 136.406 203.369 178.8 -111.997 -53.3955 -49.2112 -261.689 PRESSAVG: 488400 -56.0191 15.3932 -21.8207 15.3931 13.8835 -10.2192 -21.8207 -10.2191 4.9479 GPRESSAVG: 488400 -56.3939 12.2521 -20.5841 18.0109 13.7244 -8.58885 -22.6147 -11.3341 5.16135 TIMING: 488400 CPU: 1543.34, 0.00322039/step Wall: 1543.34, 0.00322039/step, 4.03586 hours remaining, 234.148438 MB of memory in use. ENERGY: 488400 4042.1138 20621.6156 14505.3342 242.4872 -203233.2024 2487.6186 0.0000 0.0000 52037.5532 -109296.4798 299.0605 -161334.0330 -108938.2517 299.0455 -69.1604 -44.2962 761420.5894 -12.3959 -12.5027 PRESSURE: 488600 39.423 -37.807 -86.2439 -37.8072 131.797 65.6075 -86.244 65.6075 -119.409 GPRESSURE: 488600 23.9778 -34.3927 -77.4833 -58.8893 211.607 32.6063 -99.5349 -80.0076 -105.808 PRESSAVG: 488600 5.12925 26.8758 42.8889 26.8758 -27.6322 64.6492 42.8889 64.6491 -3.50773 GPRESSAVG: 488600 4.55483 28.9422 42.484 25.0932 -27.0289 63.9984 42.8627 65.7541 -3.38102 TIMING: 488600 CPU: 1543.97, 0.0031749/step Wall: 1543.97, 0.0031749/step, 3.97867 hours remaining, 234.699219 MB of memory in use. ENERGY: 488600 3946.1326 20363.3320 14569.5228 242.6808 -203181.7194 2606.4760 0.0000 0.0000 52059.1626 -109394.4127 299.1847 -161453.5753 -109036.2855 298.6546 17.2703 43.2589 759216.0677 -8.6702 -8.6184 PRESSURE: 488800 145.129 70.4237 -29.7119 70.4226 57.8988 92.0868 -29.7117 92.0869 415.533 GPRESSURE: 488800 222.871 41.5026 -57.8685 -10.2968 37.7801 121.276 67.7067 154.108 437.127 PRESSAVG: 488800 -7.8582 24.0325 35.4279 24.0325 42.0253 66.8827 35.428 66.8827 -17.3196 GPRESSAVG: 488800 -8.48261 23.4341 33.805 24.1722 41.6089 68.033 36.938 65.6842 -16.1812 TIMING: 488800 CPU: 1544.6, 0.00316004/step Wall: 1544.6, 0.00316004/step, 3.95988 hours remaining, 234.699219 MB of memory in use. ENERGY: 488800 4006.1279 20484.2979 14476.3257 236.6639 -203145.8061 2629.7570 0.0000 0.0000 51870.7547 -109441.8790 298.1019 -161312.6337 -109077.2484 299.2839 206.1869 232.5926 761758.0757 5.6158 5.6484 PRESSURE: 489000 268.266 142.56 -322.303 142.56 55.8928 18.378 -322.303 18.3781 111.757 GPRESSURE: 489000 298.536 128.102 -286.136 81.9099 136.19 -3.34261 -259.369 130.813 100.279 PRESSAVG: 489000 -72.2509 52.166 -9.04382 52.1659 79.7796 20.5608 -9.04382 20.5608 25.2487 GPRESSAVG: 489000 -72.2941 55.228 -7.72505 49.392 80.2496 18.1658 -10.8633 22.8118 24.5181 TIMING: 489000 CPU: 1545.23, 0.00316142/step Wall: 1545.23, 0.00316142/step, 3.96143 hours remaining, 234.718750 MB of memory in use. ENERGY: 489000 3990.0780 20369.1347 14460.0677 244.0000 -203165.2946 2816.9182 0.0000 0.0000 51777.8837 -109507.2123 297.5682 -161285.0960 -109133.9891 298.5641 145.3051 178.3353 761962.0723 10.9258 10.8245 PRESSURE: 489200 -431.819 157.28 -32.8523 157.281 -86.1503 -83.2915 -32.853 -83.2913 -187.91 GPRESSURE: 489200 -393.49 89.2638 31.0188 136.826 -29.8144 -76.9608 -75.1962 -123.883 -189.983 PRESSAVG: 489200 -24.4309 44.1258 -10.4211 44.1257 17.9794 4.12024 -10.4211 4.12022 0.0634103 GPRESSAVG: 489200 -25.5565 42.3234 -8.56615 48.7599 18.2207 2.92128 -9.87415 5.48615 0.867003 TIMING: 489200 CPU: 1545.87, 0.00316677/step Wall: 1545.87, 0.00316677/step, 3.96797 hours remaining, 234.718750 MB of memory in use. ENERGY: 489200 3971.8087 20511.1652 14531.3525 235.4793 -203085.7451 2551.5527 0.0000 0.0000 51936.6322 -109347.7546 298.4805 -161284.3868 -108988.2356 299.4290 -235.2930 -204.4292 761115.1985 -2.1294 -2.1563 PRESSURE: 489400 -256.086 35.7296 62.3725 35.7303 174.923 -178.433 62.3722 -178.435 -199.534 GPRESSURE: 489400 -163.597 43.7988 -41.9647 81.7355 159.675 -197.503 51.7475 -66.8897 -178.144 PRESSAVG: 489400 -9.85914 -30.2261 -38.8668 -30.2261 42.3903 46.6766 -38.8668 46.6766 -2.54474 GPRESSAVG: 489400 -8.10562 -28.8725 -38.6357 -31.4821 41.2818 48.7917 -40.4435 43.6376 -2.92684 TIMING: 489400 CPU: 1546.5, 0.00317695/step Wall: 1546.5, 0.00317695/step, 3.98055 hours remaining, 234.718750 MB of memory in use. ENERGY: 489400 3887.9677 20379.0272 14525.6877 231.0708 -203324.8327 2663.7658 0.0000 0.0000 52310.5835 -109326.7300 300.6296 -161637.3135 -108955.3348 298.6485 -93.5657 -60.6887 760594.3593 9.9955 10.0831 PRESSURE: 489600 27.142 -3.5729 31.2612 -3.57305 107.384 186.787 31.2616 186.787 -43.0385 GPRESSURE: 489600 58.0677 41.2741 7.54989 140.415 112.844 202.537 152.591 247.542 22.8859 PRESSAVG: 489600 -49.6052 -12.8599 -46.1212 -12.8598 45.9454 13.3646 -46.1212 13.3646 15.7463 GPRESSAVG: 489600 -49.8421 -14.4374 -46.186 -12.2011 45.6302 11.7595 -47.4548 14.2733 15.9841 TIMING: 489600 CPU: 1547.14, 0.00317475/step Wall: 1547.14, 0.00317475/step, 3.97761 hours remaining, 234.718750 MB of memory in use. ENERGY: 489600 4041.0884 20456.2889 14519.8105 233.9722 -203767.5916 2876.4162 0.0000 0.0000 52017.2408 -109622.7746 298.9438 -161640.0154 -109264.1398 298.6477 30.4960 64.5991 761643.6176 4.0288 3.9241 PRESSURE: 489800 -5.18832 -6.06864 -235.633 -6.06903 -60.1348 -179.359 -235.633 -179.358 -67.1773 GPRESSURE: 489800 -32.5445 7.25502 -96.0432 103.004 73.3426 -195.757 -200.789 -133.166 -80.9406 PRESSAVG: 489800 -54.367 51.9756 30.5326 51.9756 64.6814 -28.753 30.5326 -28.7531 9.86866 GPRESSAVG: 489800 -53.575 52.4399 31.161 51.8897 64.1504 -27.4948 30.9504 -29.5374 9.66431 TIMING: 489800 CPU: 1547.77, 0.00317131/step Wall: 1547.77, 0.00317131/step, 3.97312 hours remaining, 234.718750 MB of memory in use. ENERGY: 489800 3983.2229 20649.3872 14499.6368 237.5838 -203576.3559 2497.1563 0.0000 0.0000 52263.3769 -109445.9921 300.3583 -161709.3690 -109086.5373 298.6190 -44.1668 -13.3808 761814.4966 6.7277 6.7466 PRESSURE: 490000 -395.272 93.4795 -110.86 93.48 -269.402 49.607 -110.859 49.6082 248.553 GPRESSURE: 490000 -206.648 135.092 -98.4899 220.262 -217.279 -13.1684 -60.9179 -44.6468 68.8716 PRESSAVG: 490000 -55.9398 31.4957 -8.10622 31.4957 9.86451 -39.129 -8.10626 -39.129 21.6628 GPRESSAVG: 490000 -56.675 31.5704 -10.4756 31.1473 11.7805 -38.7827 -6.312 -39.7146 20.3748 TIMING: 490000 CPU: 1548.41, 0.003182/step Wall: 1548.41, 0.003182/step, 3.98634 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: 490000 4017.6814 20664.7994 14513.8140 249.8354 -203335.4458 2582.0422 0.0000 0.0000 51960.4021 -109346.8714 298.6171 -161307.2735 -108990.0764 299.2259 -138.7067 -118.3518 760608.7482 -8.1375 -8.1732 PRESSURE: 490200 -247.433 -131.204 77.6782 -131.204 68.5646 -188.846 77.6786 -188.846 -10.4794 GPRESSURE: 490200 -287.243 -123.861 111.079 12.0808 35.9182 -170.339 54.437 -247.801 150.379 PRESSAVG: 490200 -27.962 -12.1786 -11.7565 -12.1786 -4.2406 -47.8111 -11.7565 -47.811 10.4063 GPRESSAVG: 490200 -29.3526 -12.4249 -11.5067 -11.7976 -4.69874 -48.081 -11.3083 -46.5947 11.8523 TIMING: 490200 CPU: 1549.05, 0.00319564/step Wall: 1549.05, 0.00319564/step, 4.00325 hours remaining, 234.718750 MB of memory in use. ENERGY: 490200 3975.8779 20688.8185 14491.8238 260.2203 -203513.6186 2515.4154 0.0000 0.0000 52062.4625 -109519.0001 299.2037 -161581.4626 -109161.5225 299.0223 -63.1160 -33.6485 760411.2161 -7.2654 -7.3997 PRESSURE: 490400 -254.42 -193.876 -94.5328 -193.876 -347.324 160.316 -94.5321 160.316 -234.877 GPRESSURE: 490400 -230.266 -198.128 -95.9818 -196.688 -376.878 130.578 -3.61671 230.407 -148.888 PRESSAVG: 490400 -53.1316 -7.85997 -9.02573 -7.86 32.6368 -0.72846 -9.02576 -0.728431 -1.28791 GPRESSAVG: 490400 -51.1866 -6.82154 -9.57841 -7.69112 31.5897 -1.75233 -10.8596 0.0245696 -1.79725 TIMING: 490400 CPU: 1549.68, 0.00318067/step Wall: 1549.68, 0.00318067/step, 3.98432 hours remaining, 234.718750 MB of memory in use. ENERGY: 490400 4050.2376 20525.4055 14495.7562 241.3345 -203236.0067 2464.8717 0.0000 0.0000 51886.9549 -109571.4462 298.1950 -161458.4012 -109208.9904 298.6849 -278.8739 -252.0105 760341.5924 -7.2609 -7.1314 PRESSURE: 490600 337.873 69.389 15.4142 69.3893 193.142 3.97992 15.4139 3.98059 318.2 GPRESSURE: 490600 266.446 75.8827 6.25266 122.738 272.164 -14.5094 -84.8577 83.2382 387.861 PRESSAVG: 490600 -26.8834 -17.1646 15.3265 -17.1646 8.04246 56.1195 15.3265 56.1195 -1.49449 GPRESSAVG: 490600 -28.3991 -17.705 16.906 -18.0954 8.91372 57.5283 16.6211 54.6132 -1.09933 TIMING: 490600 CPU: 1550.32, 0.00315958/step Wall: 1550.32, 0.00315958/step, 3.95773 hours remaining, 234.718750 MB of memory in use. ENERGY: 490600 3917.6730 20430.9845 14465.6006 256.7166 -203287.4836 2699.4203 0.0000 0.0000 51996.7682 -109520.3203 298.8261 -161517.0885 -109154.6076 298.7428 283.0718 308.8235 760855.4545 -6.7785 -6.8616 PRESSURE: 490800 -256.171 209.777 55.0971 209.778 -53.3856 -130.338 55.0961 -130.338 50.2643 GPRESSURE: 490800 -164.151 196.82 70.9182 140.437 -90.2783 -183.793 65.8613 -147.039 75.508 PRESSAVG: 490800 -21.8813 8.84317 -50.4744 8.84313 -2.5987 -24.4312 -50.4744 -24.4312 -7.80321 GPRESSAVG: 490800 -22.8414 10.7413 -52.1971 8.88914 -2.59882 -22.9171 -51.787 -25.0844 -7.30253 TIMING: 490800 CPU: 1550.95, 0.00314852/step Wall: 1550.95, 0.00314852/step, 3.94369 hours remaining, 234.718750 MB of memory in use. ENERGY: 490800 4030.8995 20393.5388 14478.3644 251.9481 -203526.6848 2740.1026 0.0000 0.0000 52050.0576 -109581.7738 299.1324 -161631.8314 -109223.5579 298.5389 -86.4306 -59.6404 761724.6205 -10.7611 -10.9142 PRESSURE: 491000 158.892 53.9729 -75.1004 53.9722 185.191 -196.852 -75.1005 -196.851 55.876 GPRESSURE: 491000 126.672 13.3445 -18.3255 144.138 266.437 -80.513 -81.0261 -378.781 87.2862 PRESSAVG: 491000 -33.1278 20.0265 -50.2003 20.0265 65.6534 24.4745 -50.2003 24.4745 25.8625 GPRESSAVG: 491000 -31.7334 18.6627 -47.9965 19.1059 65.1777 23.2977 -50.7597 23.7223 25.2179 TIMING: 491000 CPU: 1551.58, 0.00316441/step Wall: 1551.58, 0.00316441/step, 3.96343 hours remaining, 234.718750 MB of memory in use. ENERGY: 491000 3918.3902 20564.2426 14449.3734 238.9231 -203558.7001 2761.3694 0.0000 0.0000 52119.5051 -109506.8962 299.5315 -161626.4013 -109151.3984 298.7604 133.3197 160.1317 761005.5239 19.4627 19.5541 PRESSURE: 491200 -45.5394 -180.881 -269.58 -180.881 257.504 19.3634 -269.58 19.3633 -498.797 GPRESSURE: 491200 80.2096 -98.4189 -184.221 -161.385 147.637 -72.2488 -134.635 -57.1523 -461.61 PRESSAVG: 491200 -10.7694 -7.04312 40.0221 -7.04317 16.3368 -6.15699 40.0222 -6.15688 -7.41575 GPRESSAVG: 491200 -10.1128 -6.8458 39.7859 -6.85506 16.3735 -6.38922 40.2417 -5.05275 -8.26705 TIMING: 491200 CPU: 1552.22, 0.00319282/step Wall: 1552.22, 0.00319282/step, 3.99883 hours remaining, 234.718750 MB of memory in use. ENERGY: 491200 3964.3247 20484.8404 14487.0748 248.3325 -203629.2053 2636.1909 0.0000 0.0000 52282.6913 -109525.7508 300.4693 -161808.4420 -109154.2615 299.1339 -95.6109 -77.9212 760911.0110 -0.6161 -0.6688 PRESSURE: 491400 -143.172 -71.5891 -191.767 -71.5894 -17.0153 -184.09 -191.767 -184.09 83.4882 GPRESSURE: 491400 -77.043 -87.4794 -152.215 -110.999 -67.994 -164.658 -250.048 -90.2711 153.66 PRESSAVG: 491400 -40.7568 -26.2784 -27.6883 -26.2783 45.3123 53.6075 -27.6883 53.6075 16.2804 GPRESSAVG: 491400 -39.9132 -27.0737 -29.558 -25.9164 44.5995 53.9559 -25.4617 52.491 16.5142 TIMING: 491400 CPU: 1552.85, 0.00316832/step Wall: 1552.85, 0.00316832/step, 3.96797 hours remaining, 234.718750 MB of memory in use. ENERGY: 491400 3967.6428 20375.4851 14509.2011 230.7105 -203523.6922 2622.3691 0.0000 0.0000 52183.0920 -109635.1916 299.8969 -161818.2836 -109271.2402 298.8474 -25.5665 2.8745 763003.6807 6.9453 7.0668 PRESSURE: 491600 58.7383 14.3176 81.2656 14.3176 -57.4128 -109.952 81.2656 -109.952 279.389 GPRESSURE: 491600 99.6698 98.4961 153.083 -8.33356 15.7437 -82.8211 -90.2229 -48.6551 247.09 PRESSAVG: 491600 48.4039 -7.54419 -33.6922 -7.54416 -18.6503 -10.554 -33.6922 -10.5541 31.3992 GPRESSAVG: 491600 47.742 -7.33203 -33.157 -8.71368 -17.9348 -12.1475 -36.3262 -7.43751 31.5183 TIMING: 491600 CPU: 1553.48, 0.00316201/step Wall: 1553.48, 0.00316201/step, 3.95989 hours remaining, 234.718750 MB of memory in use. ENERGY: 491600 3905.4323 20405.0557 14477.7395 247.8350 -203422.2282 2712.6134 0.0000 0.0000 52304.1417 -109369.4107 300.5926 -161673.5524 -109004.6049 299.1950 93.5716 120.8345 763537.8071 20.3842 20.4419 PRESSURE: 491800 -280.952 3.12237 98.4069 3.12165 182.939 112.537 98.4073 112.536 57.8497 GPRESSURE: 491800 -168.714 43.9888 51.4104 -47.8706 161.334 138.789 124.813 63.2576 70.6393 PRESSAVG: 491800 7.31604 33.1533 18.8992 33.1532 11.3701 -5.15895 18.8991 -5.159 1.19799 GPRESSAVG: 491800 5.79758 31.8926 18.7125 32.4134 12.4874 -4.78742 19.0463 -5.13432 1.35766 TIMING: 491800 CPU: 1554.12, 0.00320323/step Wall: 1554.12, 0.00320323/step, 4.01133 hours remaining, 234.718750 MB of memory in use. ENERGY: 491800 3978.0263 20416.3827 14596.0704 253.1379 -203864.8564 2913.7309 0.0000 0.0000 51988.3587 -109719.1495 298.7778 -161707.5082 -109365.5655 299.1017 -13.3878 21.0864 762103.2110 6.6280 6.5475 PRESSURE: 492000 -203.22 -102.887 211.657 -102.887 -360.611 79.8815 211.657 79.8813 65.4614 GPRESSURE: 492000 -176.486 -22.0234 248.061 -139.438 -275.663 85.8266 214.153 25.1684 41.0683 PRESSAVG: 492000 -27.4422 9.6688 56.5948 9.66885 10.4883 42.2266 56.5948 42.2265 -1.00918 GPRESSAVG: 492000 -26.5839 11.3785 57.472 11.0262 9.3781 43.1774 59.1802 40.0233 -0.918174 TIMING: 492000 CPU: 1554.76, 0.00317338/step Wall: 1554.76, 0.00317338/step, 3.97378 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: 492000 4039.7089 20427.0734 14515.0004 269.1567 -203475.5072 2735.4113 0.0000 0.0000 51884.3526 -109604.8039 298.1801 -161489.1565 -109251.1447 298.2965 -166.1231 -137.0271 764646.0492 -5.9877 -6.0413 PRESSURE: 492200 277.611 133.905 -46.7675 133.906 -50.1838 69.0373 -46.7675 69.0367 -22.2273 GPRESSURE: 492200 290.978 231.537 -27.9049 -4.0785 -16.9417 13.5068 -10.3941 125.051 2.86319 PRESSAVG: 492200 -38.2404 20.8914 93.7239 20.8913 27.7782 -19.7627 93.724 -19.7627 19.2728 GPRESSAVG: 492200 -39.2147 18.3415 93.0032 22.7445 28.4302 -19.643 92.0952 -19.0653 19.5602 TIMING: 492200 CPU: 1555.39, 0.00314731/step Wall: 1555.39, 0.00314731/step, 3.94096 hours remaining, 234.718750 MB of memory in use. ENERGY: 492200 3975.0126 20389.8913 14482.6393 245.0163 -203401.3730 2835.0229 0.0000 0.0000 51698.5408 -109775.2498 297.1122 -161473.7906 -109411.6494 298.1074 68.4001 92.2999 762923.6467 2.9369 2.9252 LDB: ============= START OF LOAD BALANCING ============== 1567.92 LDB: ============== END OF LOAD BALANCING =============== 1567.93 LDB: =============== DONE WITH MIGRATION ================ 1567.93 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 1568.24 LDB: Largest compute 7060 load 0.031066 is 15.9% of average load 0.195244 LDB: Average compute 0.004389 is 2.2% of average load 0.195244 LDB: TIME 1568.25 LOAD: AVG 0.195244 MAX 0.21686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1568.25 LOAD: AVG 0.195244 MAX 0.21686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: TIME 1568.25 LOAD: AVG 0.195244 MAX 0.21686 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: ============== END OF LOAD BALANCING =============== 1568.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1568.26 PRESSURE: 492400 -2.16631 42.5019 -175.019 42.5022 358.94 -138.049 -175.019 -138.049 -414.951 GPRESSURE: 492400 17.1701 53.3923 -196.207 50.5839 400.636 -115.668 -200.053 -124.037 -408.981 PRESSAVG: 492400 -3.28586 -20.9593 -10.3955 -20.9594 -6.59161 -21.3416 -10.3956 -21.3417 -14.9245 GPRESSAVG: 492400 -0.822543 -16.0696 -10.7439 -23.4565 -7.19798 -22.9446 -8.55948 -21.8648 -16.1325 TIMING: 492400 CPU: 1556.04, 0.00325302/step Wall: 1556.04, 0.00325302/step, 4.07314 hours remaining, 232.355469 MB of memory in use. ENERGY: 492400 3906.1498 20467.8321 14465.1733 236.5730 -203890.4007 2911.5188 0.0000 0.0000 52072.4077 -109830.7460 299.2608 -161903.1537 -109466.0592 298.0595 -19.3925 2.9416 762717.9886 -8.2673 -8.0510 PRESSURE: 492600 4.65849 39.6577 352.053 39.6581 -26.5275 206.503 352.052 206.503 459.454 GPRESSURE: 492600 8.78621 -36.2015 352.383 46.0881 44.1622 125.911 360.153 177.451 464.205 PRESSAVG: 492600 40.0121 -6.88009 -5.90497 -6.88009 -18.682 -16.4668 -5.90501 -16.4668 17.9572 GPRESSAVG: 492600 38.5325 -11.1493 -4.49159 -5.88847 -16.8422 -15.4485 -7.08844 -15.2602 18.189 TIMING: 492600 CPU: 1556.67, 0.00317377/step Wall: 1556.67, 0.00317377/step, 3.97373 hours remaining, 232.394531 MB of memory in use. ENERGY: 492600 3980.7745 20461.8568 14483.9063 251.4297 -203617.2342 2997.9764 0.0000 0.0000 51764.0606 -109677.2298 297.4888 -161441.2904 -109311.5315 298.3850 145.8616 172.3846 762585.8776 13.0958 13.2931 PRESSURE: 492800 -474.823 -29.2973 132.046 -29.2969 76.5935 -89.4585 132.045 -89.4586 -439.436 GPRESSURE: 492800 -413.765 -34.2319 32.1243 43.3584 84.5308 -92.0045 -8.33754 -146.643 -402.088 PRESSAVG: 492800 15.1384 32.4501 -35.3389 32.4501 16.9763 -35.1013 -35.339 -35.1013 12.8688 GPRESSAVG: 492800 15.9288 34.6044 -36.2677 30.5445 15.5245 -36.1304 -35.8969 -33.1695 13.673 TIMING: 492800 CPU: 1557.3, 0.00315494/step Wall: 1557.3, 0.00315494/step, 3.94998 hours remaining, 232.382812 MB of memory in use. ENERGY: 492800 3997.5743 20418.3181 14478.7650 239.7521 -202963.9434 2487.8779 0.0000 0.0000 51721.9807 -109619.6752 297.2469 -161341.6560 -109260.4980 298.8306 -279.2218 -243.7741 763090.2225 14.9945 15.0421 PRESSURE: 493000 -185.398 -24.0154 -74.4021 -24.0148 -423.002 -279.79 -74.4017 -279.79 205.521 GPRESSURE: 493000 -129.322 -90.4839 -139.559 -137.736 -317.055 -253.452 24.2237 -376.862 131.58 PRESSAVG: 493000 -66.5625 -49.8481 21.7939 -49.848 -1.5716 -40.4352 21.794 -40.4353 -16.9086 GPRESSAVG: 493000 -65.5496 -52.3931 21.8955 -47.3716 -1.7335 -40.3198 23.6736 -43.6021 -18.0161 TIMING: 493000 CPU: 1557.94, 0.00316615/step Wall: 1557.94, 0.00316615/step, 3.96384 hours remaining, 232.382812 MB of memory in use. ENERGY: 493000 3974.2841 20602.6872 14510.0116 255.7865 -203407.6790 2529.2923 0.0000 0.0000 51766.4981 -109769.1192 297.5028 -161535.6174 -109413.7234 297.7412 -134.2930 -104.9324 763476.5868 -28.3476 -28.4331 PRESSURE: 493200 -371.04 113.954 1.37372 113.954 -138.436 115.847 1.37444 115.846 50.8122 GPRESSURE: 493200 -303.804 20.1382 -47.4328 149.632 -133.706 78.4204 130.235 23.4032 79.8739 PRESSAVG: 493200 -31.7329 25.0195 42.4193 25.0195 11.9978 32.4521 42.4192 32.4522 -1.7152 GPRESSAVG: 493200 -33.1623 25.0855 43.9823 26.0004 12.2799 33.3785 41.3748 32.2402 -0.967388 TIMING: 493200 CPU: 1558.58, 0.0031923/step Wall: 1558.58, 0.0031923/step, 3.9964 hours remaining, 232.382812 MB of memory in use. ENERGY: 493200 3946.6620 20357.3394 14408.3092 246.7525 -203235.7263 2509.9053 0.0000 0.0000 52061.4322 -109705.3256 299.1978 -161766.7578 -109347.1524 298.0832 -152.8880 -119.2121 761973.3792 -7.1501 -7.2833 PRESSURE: 493400 -9.56743 81.902 -2.01658 81.9015 -97.3197 27.2583 -2.01641 27.2596 -368.005 GPRESSURE: 493400 -63.5975 96.9157 -6.28746 64.7785 30.9838 142.802 -21.2406 10.2188 -354.939 PRESSAVG: 493400 -23.8552 36.3021 72.7609 36.3021 56.3391 -19.0553 72.761 -19.0554 17.6638 GPRESSAVG: 493400 -25.5794 36.6523 70.6242 34.3829 57.4916 -18.5928 74.1276 -19.1928 18.1067 TIMING: 493400 CPU: 1559.21, 0.00315739/step Wall: 1559.21, 0.00315739/step, 3.95253 hours remaining, 232.382812 MB of memory in use. ENERGY: 493400 3931.1807 20487.6899 14472.3749 246.2937 -203628.3940 2700.5305 0.0000 0.0000 51961.6670 -109828.6575 298.6244 -161790.3244 -109475.2121 298.3286 -158.2973 -129.1843 762429.3259 16.7159 16.6730 PRESSURE: 493600 -261.608 -27.0073 -194.839 -27.0072 -298.917 -204.54 -194.839 -204.542 28.0811 GPRESSURE: 493600 -262.96 -27.754 -178.722 -1.84432 -280.712 -192.876 -57.5965 -121.293 84.518 PRESSAVG: 493600 -3.77075 9.90924 42.9819 9.90924 -7.08903 28.8383 42.9819 28.8384 29.9125 GPRESSAVG: 493600 -1.85116 12.7751 43.7019 9.73357 -8.44914 28.3062 42.7996 31.6708 29.0884 TIMING: 493600 CPU: 1559.84, 0.00317474/step Wall: 1559.84, 0.00317474/step, 3.97407 hours remaining, 232.382812 MB of memory in use. ENERGY: 493600 3992.4363 20487.8653 14486.2386 263.7991 -203084.0553 2245.4453 0.0000 0.0000 52117.9632 -109490.3076 299.5227 -161608.2707 -109126.3905 298.9544 -177.4814 -153.0515 760740.2590 6.3509 6.2627 PRESSURE: 493800 -308.316 60.6216 75.0387 60.6212 189.891 -127.722 75.0388 -127.723 -3.36983 GPRESSURE: 493800 -273.997 55.2241 108.111 131.147 215.943 -109.72 122.236 -132.236 -1.78481 PRESSAVG: 493800 -34.7292 -18.9383 32.4254 -18.9383 35.5425 27.1262 32.4254 27.1261 -12.663 GPRESSAVG: 493800 -35.6471 -20.8191 31.9566 -18.3985 37.1306 26.1909 32.676 27.0645 -13.3993 TIMING: 493800 CPU: 1560.47, 0.00315946/step Wall: 1560.47, 0.00315946/step, 3.95476 hours remaining, 232.382812 MB of memory in use. ENERGY: 493800 4003.6180 20645.4344 14474.7204 236.5284 -203176.7899 2419.4633 0.0000 0.0000 51916.6515 -109480.3739 298.3657 -161397.0254 -109122.6439 299.1485 -40.5984 -19.9464 760916.3644 -3.9499 -3.9719 PRESSURE: 494000 525.406 21.809 -110.364 21.8081 193.313 -189.404 -110.364 -189.405 -103.228 GPRESSURE: 494000 471.425 100.867 -92.8387 46.3767 214.875 -104.144 -45.4199 -190.684 33.618 PRESSAVG: 494000 49.1865 -30.2057 -7.75493 -30.2057 -6.96807 -32.3435 -7.7549 -32.3436 9.1847 GPRESSAVG: 494000 50.8548 -29.2113 -6.69724 -30.955 -7.61471 -31.8653 -8.38174 -32.9175 9.1641 TIMING: 494000 CPU: 1561.11, 0.00316745/step Wall: 1561.11, 0.00316745/step, 3.96459 hours remaining, 232.382812 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: 494000 3979.2590 20389.3074 14483.7055 254.8587 -203728.0811 2967.6768 0.0000 0.0000 52077.7737 -109575.5001 299.2917 -161653.2738 -109213.9636 298.7988 205.1639 239.9727 760067.2449 17.1344 17.4681 PRESSURE: 494200 -261.555 86.7511 -47.0311 86.7517 78.7932 176.443 -47.0304 176.443 -146.77 GPRESSURE: 494200 -166.827 63.4979 -10.0429 183.876 33.4129 238.175 -133.912 139.253 -107.904 PRESSAVG: 494200 -50.293 -38.5964 -17.3424 -38.5964 -10.8714 18.3195 -17.3424 18.3195 3.62916 GPRESSAVG: 494200 -50.2917 -39.8468 -18.2716 -34.2825 -11.7399 17.8521 -19.3335 19.4198 4.50975 TIMING: 494200 CPU: 1561.74, 0.00317192/step Wall: 1561.74, 0.00317192/step, 3.97001 hours remaining, 232.460938 MB of memory in use. ENERGY: 494200 3963.4077 20412.8556 14481.2967 237.4729 -203701.4021 2855.0071 0.0000 0.0000 52217.9676 -109533.3945 300.0974 -161751.3621 -109169.2558 298.3549 -109.8439 -80.4392 759944.3624 -19.1784 -19.1740 PRESSURE: 494400 -232.254 140.574 279.412 140.573 1.308 50.0162 279.412 50.0157 -131.223 GPRESSURE: 494400 -183.855 59.7237 455.617 79.9791 71.7394 -62.811 194.888 79.7258 -148.759 PRESSAVG: 494400 -10.9989 -9.25295 52.5472 -9.25296 55.4468 -12.7575 52.5472 -12.7576 13.0039 GPRESSAVG: 494400 -12.0523 -8.28544 54.5651 -13.5745 57.0747 -12.7007 52.4899 -13.6962 12.5583 TIMING: 494400 CPU: 1562.37, 0.00315513/step Wall: 1562.37, 0.00315513/step, 3.94882 hours remaining, 232.460938 MB of memory in use. ENERGY: 494400 4013.9056 20427.1310 14508.2626 241.8885 -203324.2778 2557.5140 0.0000 0.0000 51937.4407 -109638.1353 298.4852 -161575.5760 -109270.1202 298.5700 -120.7233 -86.9581 761288.4351 19.1506 19.1936 PRESSURE: 494600 -108.213 111.987 254.895 111.986 -237.656 68.5376 254.894 68.5373 -235.319 GPRESSURE: 494600 41.4688 44.1107 249.534 35.3225 -288.649 110.664 109.129 85.9791 -232.862 PRESSAVG: 494600 -27.8407 -25.8019 8.75889 -25.802 37.1794 -11.2537 8.75886 -11.2536 -4.77683 GPRESSAVG: 494600 -26.5697 -27.1577 6.56681 -23.3391 35.5226 -9.73813 10.046 -12.4775 -4.16211 TIMING: 494600 CPU: 1563.01, 0.00317246/step Wall: 1563.01, 0.00317246/step, 3.97033 hours remaining, 232.460938 MB of memory in use. ENERGY: 494600 4006.0305 20330.7362 14572.7861 236.5164 -203452.3622 2625.6123 0.0000 0.0000 52133.3726 -109547.3083 299.6112 -161680.6809 -109175.9002 298.4627 -193.7294 -160.0140 760504.6367 1.5206 1.5969 PRESSURE: 494800 53.9004 -88.2251 -82.1064 -88.2247 86.4812 143.981 -82.1061 143.981 7.4521 GPRESSURE: 494800 71.4414 -55.0449 -46.3131 -36.1571 142.628 132.228 -189.034 95.3467 -1.34132 PRESSAVG: 494800 35.197 -27.748 -1.01691 -27.748 -1.72038 -9.1173 -1.01695 -9.11732 11.4667 GPRESSAVG: 494800 35.8992 -27.9597 -0.753713 -28.3576 -2.45898 -12.0102 -1.52672 -7.74313 12.3146 TIMING: 494800 CPU: 1563.64, 0.00316222/step Wall: 1563.64, 0.00316222/step, 3.95735 hours remaining, 232.460938 MB of memory in use. ENERGY: 494800 4008.1299 20473.8465 14468.3860 254.1137 -203777.2303 2943.7860 0.0000 0.0000 52035.2250 -109593.7432 299.0472 -161628.9682 -109245.9507 298.8377 49.2779 70.9093 761195.9170 14.9811 15.2516 PRESSURE: 495000 -245.336 -32.2174 152.4 -32.2176 -262.976 215.03 152.399 215.03 213.995 GPRESSURE: 495000 -156.303 9.08288 213.086 -46.1461 -280.5 212.217 93.3583 172.394 207.504 PRESSAVG: 495000 -34.423 5.15666 15.2755 5.15658 15.9483 49.3356 15.2755 49.3355 -14.0319 GPRESSAVG: 495000 -35.5976 8.57589 14.7108 1.89454 17.6817 49.9551 15.5994 48.6912 -14.6387 TIMING: 495000 CPU: 1564.28, 0.00318064/step Wall: 1564.28, 0.00318064/step, 3.98021 hours remaining, 232.460938 MB of memory in use. ENERGY: 495000 4007.8669 20546.7712 14487.4303 228.6918 -203303.2056 2558.2601 0.0000 0.0000 51986.3047 -109487.8806 298.7660 -161474.1853 -109129.3623 298.7367 -98.1058 -76.4334 761331.2725 -10.8356 -10.8516 PRESSURE: 495200 -257.385 -16.4232 13.6403 -16.4227 -101.798 -83.0027 13.6402 -83.0027 287.899 GPRESSURE: 495200 -213.045 -37.4728 -73.0868 28.8561 -14.8752 -45.8621 -64.1335 -70.4988 247.867 PRESSAVG: 495200 -43.2362 8.51207 30.4149 8.51212 27.7817 -4.92545 30.4148 -4.92544 3.37037 GPRESSAVG: 495200 -42.4815 7.76696 30.6561 9.59832 27.6532 -5.34018 29.4919 -5.03698 3.26149 TIMING: 495200 CPU: 1564.91, 0.00317857/step Wall: 1564.91, 0.00317857/step, 3.97745 hours remaining, 232.460938 MB of memory in use. ENERGY: 495200 4006.2934 20385.3641 14427.2619 250.5509 -203213.2302 2663.4166 0.0000 0.0000 52087.7325 -109392.6108 299.3489 -161480.3432 -109028.9002 298.5390 -23.7612 6.6490 762130.8766 -4.0280 -3.8556 PRESSURE: 495400 487.465 -192.752 257.177 -192.753 97.2278 -68.0414 257.178 -68.0418 159.167 GPRESSURE: 495400 486.203 -132.152 264.151 -196.49 181.257 -139.621 219.879 20.2683 167.541 PRESSAVG: 495400 25.0814 -18.2327 -16.1647 -18.2327 -33.7302 -24.4793 -16.1648 -24.4794 6.18949 GPRESSAVG: 495400 24.9338 -18.4598 -13.8632 -17.5736 -33.4061 -21.6486 -15.578 -26.1118 6.71013 TIMING: 495400 CPU: 1565.55, 0.00317308/step Wall: 1565.55, 0.00317308/step, 3.9704 hours remaining, 232.460938 MB of memory in use. ENERGY: 495400 3967.0329 20449.5220 14500.6345 252.5533 -203273.7512 2819.5375 0.0000 0.0000 52166.4172 -109118.0537 299.8011 -161284.4709 -108753.0119 298.9035 247.9534 278.3336 762258.3865 -0.8198 -0.5874 PRESSURE: 495600 -207.017 8.30805 103.25 8.30768 108.164 71.3059 103.25 71.3059 -255.857 GPRESSURE: 495600 -331.159 153.573 218.38 -22.5656 271.12 33.8144 20.0702 130.949 -197.615 PRESSAVG: 495600 26.1291 29.5286 40.8577 29.5286 -14.7332 -26.1535 40.8576 -26.1534 -26.6196 GPRESSAVG: 495600 26.3259 30.5186 39.1483 30.2837 -16.0901 -27.99 41.9146 -23.8869 -25.7183 TIMING: 495600 CPU: 1566.18, 0.00318207/step Wall: 1566.18, 0.00318207/step, 3.98147 hours remaining, 232.460938 MB of memory in use. ENERGY: 495600 4020.3142 20618.2829 14505.9397 251.6076 -202748.0375 2213.4051 0.0000 0.0000 51994.1681 -109144.3198 298.8112 -161138.4879 -108778.3213 299.2138 -118.2367 -85.8846 760559.3595 -5.0746 -5.1608 PRESSURE: 495800 -356.731 124.746 66.1486 124.746 48.8227 -177.089 66.1487 -177.09 -239.131 GPRESSURE: 495800 -241.575 -9.4142 98.3704 118.252 -51.3081 -155.888 -4.36259 -119.63 -146.133 PRESSAVG: 495800 -17.5595 1.92599 26.2848 1.92597 27.7469 53.9386 26.2848 53.9386 0.996224 GPRESSAVG: 495800 -16.8801 -0.049983 27.1975 2.97028 28.5878 53.6691 25.408 53.3078 -0.716175 TIMING: 495800 CPU: 1566.82, 0.00320147/step Wall: 1566.82, 0.00320147/step, 4.00557 hours remaining, 232.460938 MB of memory in use. ENERGY: 495800 4064.9205 20490.3644 14380.2769 227.8527 -203337.9656 2708.0959 0.0000 0.0000 52292.1537 -109174.3014 300.5237 -161466.4551 -108809.6923 299.2467 -182.3467 -146.3388 763136.3004 3.7279 3.6638 PRESSURE: 496000 231.814 -56.4336 -142.643 -56.433 -168.452 29.9428 -142.643 29.9437 -151.961 GPRESSURE: 496000 208.769 -103.281 -111.696 -104.344 -89.9053 113.384 -92.9536 -138.702 -112.32 PRESSAVG: 496000 20.6362 6.18652 46.3898 6.18653 -9.25734 -64.7792 46.3898 -64.7791 2.61436 GPRESSAVG: 496000 20.4342 4.98274 46.4104 4.50697 -8.76322 -65.5267 46.265 -63.6855 2.44492 TIMING: 496000 CPU: 1567.46, 0.00320108/step Wall: 1567.46, 0.00320107/step, 4.0049 hours remaining, 232.460938 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: 496000 4008.0558 20489.6866 14467.5380 241.2544 -203245.8718 2890.6071 0.0000 0.0000 52063.1294 -109085.6005 299.2075 -161148.7299 -108716.7248 299.6275 -29.5332 2.1815 762415.4219 4.6644 4.7053 PRESSURE: 496200 -300.67 127.114 -47.9011 127.114 -202.67 -241.62 -47.8999 -241.62 428.632 GPRESSURE: 496200 -302.735 112.964 49.438 -20.7528 -143.5 -182.921 -190.546 -107.134 470.104 PRESSAVG: 496200 32.4424 41.4816 6.01734 41.4816 -0.576203 15.3115 6.0173 15.3115 8.29699 GPRESSAVG: 496200 31.9072 43.046 5.86598 41.3936 -0.207239 16.1854 5.90923 16.0528 8.34383 TIMING: 496200 CPU: 1568.1, 0.00318204/step Wall: 1568.1, 0.00318204/step, 3.98091 hours remaining, 232.460938 MB of memory in use. ENERGY: 496200 4031.1600 20404.1892 14506.5111 233.6581 -203335.5359 2814.8590 0.0000 0.0000 52229.3630 -109115.7956 300.1629 -161345.1585 -108753.2665 299.3203 -24.9026 7.9563 762366.7544 13.3877 13.3479 LDB: ============= START OF LOAD BALANCING ============== 1580.64 LDB: ============== END OF LOAD BALANCING =============== 1580.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1580.64 LDB: ============= START OF LOAD BALANCING ============== 1580.96 LDB: Largest compute 7077 load 0.030402 is 15.6% of average load 0.195192 LDB: Average compute 0.004395 is 2.3% of average load 0.195192 LDB: TIME 1580.96 LOAD: AVG 0.195192 MAX 0.219141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 1580.96 LOAD: AVG 0.195192 MAX 0.219141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: TIME 1580.96 LOAD: AVG 0.195192 MAX 0.216814 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: ============== END OF LOAD BALANCING =============== 1580.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1580.97 PRESSURE: 496400 -195.199 259.693 215.462 259.694 -431.731 2.1925 215.463 2.19257 -513.757 GPRESSURE: 496400 -113.746 227.04 166.435 179.072 -402.611 10.0541 273.011 9.02961 -535.554 PRESSAVG: 496400 -6.57078 48.9902 -0.882238 48.9901 -40.8164 2.20494 -0.882215 2.20488 9.92844 GPRESSAVG: 496400 -6.9459 48.3075 -2.82879 47.5847 -40.9465 0.878446 -0.842477 1.45619 10.4285 TIMING: 496400 CPU: 1568.75, 0.00325471/step Wall: 1568.75, 0.00325471/step, 4.07164 hours remaining, 232.925781 MB of memory in use. ENERGY: 496400 4058.9199 20647.2010 14472.7651 238.8167 -202682.0493 2298.1422 0.0000 0.0000 52140.2528 -108825.9517 299.6507 -160966.2044 -108462.9366 300.0046 -380.2289 -350.6371 763939.4407 -12.4862 -12.4880 PRESSURE: 496600 -152.73 -171.762 14.8618 -171.762 -44.9926 79.0055 14.8621 79.0044 18.82 GPRESSURE: 496600 -139.806 -75.2552 39.0266 -263.585 97.3702 166.705 18.9362 24.5507 -49.8258 PRESSAVG: 496600 -38.4258 30.4806 4.1047 30.4806 25.4836 -6.29618 4.10461 -6.29617 -18.0351 GPRESSAVG: 496600 -37.4712 30.615 5.10259 32.8478 25.7098 -5.23138 5.53556 -6.39046 -18.8733 TIMING: 496600 CPU: 1569.39, 0.00319586/step Wall: 1569.39, 0.00319586/step, 3.99785 hours remaining, 232.925781 MB of memory in use. ENERGY: 496600 3962.3215 20552.6629 14436.8192 255.0246 -203478.2186 2856.5464 0.0000 0.0000 52346.4035 -109068.4405 300.8355 -161414.8440 -108699.2425 299.7350 -59.6343 -30.7539 761750.5284 -10.3258 -10.2116 PRESSURE: 496800 305.463 110.555 21.76 110.555 210.585 176.056 21.7593 176.056 -348.423 GPRESSURE: 496800 307.504 47.8647 40.8487 67.5326 221.711 155.339 98.8197 153.921 -276.275 PRESSAVG: 496800 1.16978 -5.59768 49.16 -5.5977 8.71677 -15.3637 49.16 -15.3637 -9.26308 GPRESSAVG: 496800 -0.0150814 -5.87881 49.7123 -6.70719 9.27435 -15.0393 46.6898 -16.1489 -8.35927 TIMING: 496800 CPU: 1570.03, 0.00318978/step Wall: 1570.03, 0.00318978/step, 3.99005 hours remaining, 233.167969 MB of memory in use. ENERGY: 496800 3926.7030 20712.8448 14468.3042 258.0985 -203285.9541 2676.0852 0.0000 0.0000 52122.8816 -109121.0369 299.5509 -161243.9185 -108754.6101 299.5304 55.8750 84.3136 760783.2997 0.2078 0.3000 PRESSURE: 497000 0.910807 -68.6627 136.598 -68.6622 220.811 5.66985 136.597 5.66929 107.034 GPRESSURE: 497000 89.4725 -83.5259 59.6662 -23.5117 301.506 -18.3086 221.08 9.03751 15.3104 PRESSAVG: 497000 -3.40619 34.0215 38.2664 34.0215 -17.9518 -10.3574 38.2663 -10.3574 -16.2171 GPRESSAVG: 497000 -2.80072 33.2705 37.7377 35.8346 -18.7322 -10.3102 38.7604 -9.76187 -16.3285 TIMING: 497000 CPU: 1570.67, 0.00319351/step Wall: 1570.67, 0.00319351/step, 3.99455 hours remaining, 233.167969 MB of memory in use. ENERGY: 497000 4019.6029 20513.3156 14464.0234 251.1873 -203500.4043 2989.4727 0.0000 0.0000 52208.3664 -109054.4361 300.0422 -161262.8025 -108686.2981 299.9905 109.5854 135.4296 762447.4972 -12.5251 -12.6205 PRESSURE: 497200 95.1793 -12.1711 -64.5695 -12.1698 -331.294 98.4114 -64.5695 98.4117 27.4055 GPRESSURE: 497200 69.408 -35.4948 -44.9012 -53.4357 -232.1 161.785 -106.876 88.5228 22.9667 PRESSAVG: 497200 -4.71251 9.26949 27.2057 9.26949 20.8798 0.178657 27.2057 0.178692 3.35241 GPRESSAVG: 497200 -4.87903 10.3243 26.2555 7.41201 20.9848 1.0223 28.4505 1.55539 3.08359 TIMING: 497200 CPU: 1571.3, 0.00318782/step Wall: 1571.3, 0.00318782/step, 3.98726 hours remaining, 233.167969 MB of memory in use. ENERGY: 497200 4033.4556 20473.9833 14501.7151 244.6529 -203122.5602 2709.4488 0.0000 0.0000 52093.9089 -109065.3957 299.3844 -161159.3045 -108707.5502 299.4224 -69.5698 -46.5752 762074.0687 6.5066 6.3964 PRESSURE: 497400 284.451 -28.197 145.548 -28.1981 391.503 16.6417 145.548 16.6421 124.934 GPRESSURE: 497400 328.13 -60.8638 115.669 -30.5361 432.926 113.025 125.362 -89.4989 120.213 PRESSAVG: 497400 70.7082 14.756 8.92605 14.7561 -44.9906 38.471 8.92605 38.4709 13.5179 GPRESSAVG: 497400 71.3846 13.6885 11.7019 16.1624 -44.7938 37.4239 8.78187 36.6309 13.037 TIMING: 497400 CPU: 1571.95, 0.00321752/step Wall: 1571.95, 0.00321752/step, 4.02422 hours remaining, 233.167969 MB of memory in use. ENERGY: 497400 4012.8606 20566.6527 14436.7536 248.0926 -203539.8529 2932.7663 0.0000 0.0000 52115.2632 -109227.4638 299.5071 -161342.7270 -108868.1494 299.7560 266.9629 293.7561 760988.9937 13.0785 13.2092 PRESSURE: 497600 251.911 7.44901 -89.7698 7.44902 250.517 565.657 -89.7692 565.658 155.712 GPRESSURE: 497600 371.411 -77.5785 -16.2725 103.318 255.279 483.915 -140.2 513.747 114.525 PRESSAVG: 497600 57.4687 38.5626 -7.86045 38.5626 -89.4253 6.08185 -7.86038 6.08187 -19.3398 GPRESSAVG: 497600 57.8451 38.802 -9.30126 38.4547 -89.5854 6.82662 -8.36846 5.89263 -19.4113 TIMING: 497600 CPU: 1572.59, 0.00319505/step Wall: 1572.59, 0.00319505/step, 3.99594 hours remaining, 233.167969 MB of memory in use. ENERGY: 497600 4100.3733 20652.5222 14462.2451 248.6004 -203892.4933 3022.9613 0.0000 0.0000 52050.1097 -109355.6814 299.1327 -161405.7911 -108988.3294 299.3906 219.3800 247.0716 760014.9379 -17.0988 -17.0505 PRESSURE: 497800 -96.8693 33.9376 -138.28 33.9372 105.497 -284.265 -138.281 -284.265 53.9394 GPRESSURE: 497800 -47.6485 92.6792 -218.08 -64.5797 192.761 -216.499 -72.1025 -207.13 -4.73372 PRESSAVG: 497800 20.006 44.899 5.19597 44.899 -37.6363 58.2998 5.19596 58.2999 10.5779 GPRESSAVG: 497800 19.5764 46.3076 4.08104 44.3997 -37.4148 57.4908 4.8382 57.5736 10.8617 TIMING: 497800 CPU: 1573.23, 0.00320954/step Wall: 1573.23, 0.00320954/step, 4.01388 hours remaining, 233.312500 MB of memory in use. ENERGY: 497800 3979.7166 20546.7665 14485.8320 246.4324 -203441.0825 2478.1180 0.0000 0.0000 52256.0301 -109448.1868 300.3161 -161704.2169 -109070.0083 299.5344 20.8558 46.7930 760924.9590 -2.3508 -2.3256 PRESSURE: 498000 -337.289 185.264 -116.351 185.264 -127.272 138.284 -116.351 138.284 186.268 GPRESSURE: 498000 -367.456 148.736 -33.4619 176.447 -52.0549 184.211 -87.4234 84.7086 193.545 PRESSAVG: 498000 13.786 43.9198 65.4218 43.9198 -16.9502 12.7956 65.4219 12.7957 -11.5813 GPRESSAVG: 498000 14.7625 40.6494 66.9684 44.8598 -16.7898 15.1279 63.9614 13.8376 -12.805 TIMING: 498000 CPU: 1573.87, 0.00319045/step Wall: 1573.87, 0.00319045/step, 3.98983 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: 498000 4001.2639 20720.8565 14508.3410 261.1802 -203291.7697 2668.3868 0.0000 0.0000 51903.0011 -109228.7403 298.2873 -161131.7413 -108870.9199 299.0402 -92.7645 -75.3222 761965.1992 -4.9151 -4.9441 PRESSURE: 498200 203.364 -15.6315 -136.398 -15.6316 183.375 117.809 -136.398 117.808 82.6707 GPRESSURE: 498200 221.919 5.97807 -176.211 16.9619 242.689 210.86 -152.203 72.6394 82.8947 PRESSAVG: 498200 71.8165 66.4138 -36.3849 66.4139 -47.6145 11.2113 -36.3849 11.2114 18.666 GPRESSAVG: 498200 72.0369 67.8554 -36.7826 65.7397 -48.661 10.6984 -34.581 10.3222 19.415 TIMING: 498200 CPU: 1574.5, 0.00318191/step Wall: 1574.5, 0.00318191/step, 3.97898 hours remaining, 233.312500 MB of memory in use. ENERGY: 498200 4005.6983 20496.2807 14373.6275 250.4510 -203268.3488 2716.3635 0.0000 0.0000 52273.5422 -109152.3856 300.4168 -161425.9278 -108781.7581 299.3470 156.4698 182.5007 761735.3306 14.2893 14.2636 PRESSURE: 498400 260.259 54.6079 -59.803 54.6078 -217.729 -232.45 -59.8034 -232.451 143.684 GPRESSURE: 498400 251.877 126.386 -64.9221 44.575 -203.611 -168.04 -41.1713 -131.103 203.844 PRESSAVG: 498400 0.449043 36.5577 -55.9861 36.5578 21.475 59.6353 -55.986 59.6353 -7.74094 GPRESSAVG: 498400 -0.460378 36.9527 -57.4642 35.2981 23.0483 59.2491 -55.1995 60.8173 -7.83542 TIMING: 498400 CPU: 1575.14, 0.0031957/step Wall: 1575.14, 0.0031957/step, 3.99605 hours remaining, 233.312500 MB of memory in use. ENERGY: 498400 3948.1891 20700.3736 14492.1512 239.8301 -203204.6818 2676.8253 0.0000 0.0000 51880.8932 -109266.4194 298.1602 -161147.3126 -108919.4957 299.2798 62.0716 84.0369 759971.1731 4.7277 4.9175 PRESSURE: 498600 -195.257 108.62 63.0521 108.621 30.5838 -87.2978 63.052 -87.2968 -293.331 GPRESSURE: 498600 -218.572 170.502 53.7762 106.133 48.8053 -12.3921 132.158 -352.747 -225.566 PRESSAVG: 498600 -22.9663 44.2626 5.86721 44.2626 68.8878 -1.58063 5.86726 -1.58064 -12.0626 GPRESSAVG: 498600 -22.3357 46.2101 7.03383 44.7228 67.8776 -2.13179 5.67951 -3.5357 -11.7684 TIMING: 498600 CPU: 1575.78, 0.00318234/step Wall: 1575.78, 0.00318234/step, 3.97917 hours remaining, 233.312500 MB of memory in use. ENERGY: 498600 3994.5229 20619.9459 14524.6747 262.7603 -203068.2304 2421.6325 0.0000 0.0000 51938.9529 -109305.7411 298.4939 -161244.6940 -108940.8314 299.3870 -152.6682 -131.7775 761404.2972 11.2863 11.2579 PRESSURE: 498800 65.2982 -27.8323 -68.4397 -27.8314 -229.646 -98.3169 -68.4407 -98.3162 -109.844 GPRESSURE: 498800 30.8831 -135.06 -83.0308 -139.823 -159.5 -93.3319 -150.855 -54.6625 -46.3175 PRESSAVG: 498800 17.9279 42.8071 -47.2815 42.8072 2.07664 6.25186 -47.2816 6.25179 6.27959 GPRESSAVG: 498800 16.4522 39.3211 -46.7655 44.2716 2.22125 6.22131 -48.2329 9.24354 7.62085 TIMING: 498800 CPU: 1576.41, 0.00315955/step Wall: 1576.41, 0.00315955/step, 3.95048 hours remaining, 233.312500 MB of memory in use. ENERGY: 498800 3936.7971 20815.7727 14488.9568 248.2783 -203169.8801 2220.3410 0.0000 0.0000 52188.2751 -109271.4589 299.9267 -161459.7341 -108911.0161 299.7995 -91.3972 -58.3114 760263.4939 8.7614 8.7648 PRESSURE: 499000 -83.4892 199.544 176.125 199.544 147.368 7.01231 176.125 7.01339 146.316 GPRESSURE: 499000 12.8359 172.613 117.444 42.2051 171.894 52.322 155.096 -7.46671 108.012 PRESSAVG: 499000 -6.54198 -22.2143 -15.4618 -22.2144 -38.2714 -1.89563 -15.4619 -1.89557 -7.70237 GPRESSAVG: 499000 -5.73864 -20.8091 -16.0528 -23.6897 -37.2296 -4.10069 -15.9656 -2.7918 -9.74606 TIMING: 499000 CPU: 1577.04, 0.00316269/step Wall: 1577.04, 0.00316269/step, 3.95424 hours remaining, 233.312500 MB of memory in use. ENERGY: 499000 3968.6876 20621.1192 14478.9372 244.3996 -203330.5335 2662.0488 0.0000 0.0000 51926.5228 -109428.8184 298.4224 -161355.3412 -109064.6997 299.3401 70.0648 97.5806 761883.9468 -17.5053 -17.5714 PRESSURE: 499200 4.07213 95.6887 -191.046 95.6881 25.7208 -194.47 -191.047 -194.469 542.922 GPRESSURE: 499200 80.1176 -72.5966 -170.318 154.895 42.6553 -146.449 24.9872 -87.0017 532.557 PRESSAVG: 499200 -13.3381 15.1908 40.3182 15.1908 16.0651 0.0586603 40.3181 0.0587855 -11.6888 GPRESSAVG: 499200 -11.5554 15.2234 40.4566 15.9982 14.9151 0.546249 42.4241 0.160561 -12.0046 TIMING: 499200 CPU: 1577.68, 0.00317506/step Wall: 1577.68, 0.00317506/step, 3.96953 hours remaining, 233.312500 MB of memory in use. ENERGY: 499200 3920.6184 20602.5605 14449.1989 257.3716 -203583.8472 2635.9845 0.0000 0.0000 52189.6338 -109528.4795 299.9345 -161718.1133 -109165.8042 299.0249 190.9049 218.4432 761669.2084 -2.9873 -2.8816 PRESSURE: 499400 344.8 51.7217 -179.877 51.7227 -60.1476 -51.1944 -179.876 -51.1941 114.478 GPRESSURE: 499400 407.803 157.462 -212.159 61.3043 -104.776 -12.9378 -212.965 -60.3409 164.806 PRESSAVG: 499400 7.01075 -22.1859 -38.8252 -22.1859 -12.6704 -22.3491 -38.8253 -22.349 7.67685 GPRESSAVG: 499400 5.98648 -21.8583 -38.4667 -19.8642 -12.8429 -21.2629 -37.9742 -23.0821 8.34434 TIMING: 499400 CPU: 1578.31, 0.00316865/step Wall: 1578.31, 0.00316865/step, 3.96134 hours remaining, 233.312500 MB of memory in use. ENERGY: 499400 3918.7712 20671.8516 14481.5099 262.2119 -203449.6522 2855.6585 0.0000 0.0000 51689.5065 -109570.1427 297.0603 -161259.6492 -109208.3639 298.5696 133.0433 155.9441 761730.2072 0.6724 0.4960 PRESSURE: 499600 300.55 233.126 243.534 233.126 143.214 352.576 243.533 352.577 182.064 GPRESSURE: 499600 355.388 213.491 215.402 194.591 245.499 461.115 276.881 330.311 127.594 PRESSAVG: 499600 7.58458 55.3564 -21.723 55.3564 -32.9463 -24.944 -21.723 -24.9439 11.9643 GPRESSAVG: 499600 6.91294 56.3156 -22.2845 53.9083 -32.579 -24.1772 -24.4134 -25.4422 12.2698 TIMING: 499600 CPU: 1578.95, 0.0031636/step Wall: 1578.95, 0.0031636/step, 3.95485 hours remaining, 233.312500 MB of memory in use. ENERGY: 499600 4054.7072 20547.2290 14520.5005 250.2759 -203372.8159 2780.5906 0.0000 0.0000 52079.3132 -109140.1995 299.3005 -161219.5127 -108782.8414 299.1036 208.6094 242.8273 761139.3027 -4.4658 -4.4654 PRESSURE: 499800 201.332 27.2033 10.6358 27.2031 -107.488 146.421 10.6361 146.421 -50.3356 GPRESSURE: 499800 197.755 -78.7965 64.4431 -10.391 -8.60582 81.5786 47.5728 158.42 -39.5021 PRESSAVG: 499800 78.4172 45.88 36.2028 45.88 -40.0635 10.3282 36.2028 10.3281 7.4087 GPRESSAVG: 499800 77.5691 43.5637 38.0714 45.7093 -39.074 10.3294 37.2586 9.56843 7.21079 TIMING: 499800 CPU: 1579.58, 0.00315641/step Wall: 1579.58, 0.00315641/step, 3.94569 hours remaining, 233.312500 MB of memory in use. ENERGY: 499800 4019.8423 20588.4704 14461.7537 252.4677 -203430.0655 2768.2472 0.0000 0.0000 52087.4546 -109251.8296 299.3473 -161339.2842 -108892.8594 299.4664 14.5028 49.8822 762984.7483 15.2541 15.2353 PRESSURE: 500000 36.7827 37.3977 97.7073 37.3982 -319.043 87.4103 97.7077 87.4093 174.663 GPRESSURE: 500000 141.506 21.395 54.6919 17.5796 -276.205 99.6358 111.8 176.117 102.919 PRESSAVG: 500000 26.066 -28.6344 13.0176 -28.6344 -58.2096 56.2987 13.0176 56.2987 -8.64178 GPRESSAVG: 500000 25.5268 -28.1758 11.3887 -28.6638 -58.1473 55.6874 13.7928 56.4925 -8.5217 TIMING: 500000 CPU: 1580.21, 0.00317341/step Wall: 1580.21, 0.00317341/step, 3.96676 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: 500000 3895.4021 20649.6192 14525.6342 248.7246 -203285.5413 2664.5276 0.0000 0.0000 51923.8430 -109377.7905 298.4070 -161301.6335 -109018.4196 299.4246 -35.8659 -10.5936 763037.4678 -13.5951 -13.7141 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.033 seconds, 233.312 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.022 seconds, 233.312 MB of memory in use PRESSURE: 500200 8.2171 -17.5013 146.475 -17.5014 129.305 -308.731 146.476 -308.731 -4.73706 GPRESSURE: 500200 63.2306 -85.1034 183.864 71.3465 120.438 -318.709 42.0987 -138.728 11.0628 PRESSAVG: 500200 28.7301 0.647368 -17.916 0.647425 -50.2393 -22.486 -17.916 -22.486 6.86703 GPRESSAVG: 500200 30.1535 1.36999 -17.5145 3.28969 -51.5059 -21.4027 -19.0992 -23.7995 7.07559 TIMING: 500200 CPU: 1580.92, 0.00355927/step Wall: 1580.92, 0.00355927/step, 4.44888 hours remaining, 233.312500 MB of memory in use. ENERGY: 500200 3983.8226 20606.9826 14513.9333 261.0739 -203424.6342 2647.5040 0.0000 0.0000 52084.7190 -109326.5987 299.3316 -161411.3177 -108954.7718 299.1769 44.2615 64.9104 761528.9909 -4.8807 -4.7589 LDB: ============= START OF LOAD BALANCING ============== 1593.46 LDB: ============== END OF LOAD BALANCING =============== 1593.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1593.46 LDB: ============= START OF LOAD BALANCING ============== 1593.77 LDB: Largest compute 7077 load 0.033150 is 17.0% of average load 0.195226 LDB: Average compute 0.004393 is 2.3% of average load 0.195226 LDB: TIME 1593.77 LOAD: AVG 0.195226 MAX 0.211131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.879 MB LDB: TIME 1593.77 LOAD: AVG 0.195226 MAX 0.211131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: TIME 1593.77 LOAD: AVG 0.195226 MAX 0.211131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.879 MB LDB: ============== END OF LOAD BALANCING =============== 1593.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1593.78 PRESSURE: 500400 114.364 -174.545 33.8218 -174.546 -339.794 -9.19064 33.8223 -9.19015 -182.914 GPRESSURE: 500400 136.812 -163.025 -55.9389 -220.637 -305.292 -51.9153 108.992 28.1459 -164.785 PRESSAVG: 500400 33.8316 -10.173 0.780684 -10.1731 18.32 12.4159 0.780684 12.4159 11.7353 GPRESSAVG: 500400 33.1625 -9.86801 0.838411 -12.7633 19.0006 9.20233 2.07197 14.2233 11.6122 TIMING: 500400 CPU: 1581.57, 0.00321138/step Wall: 1581.57, 0.00321137/step, 4.01386 hours remaining, 232.355469 MB of memory in use. ENERGY: 500400 4037.8668 20509.9253 14638.0900 248.2829 -203115.8048 2400.4014 0.0000 0.0000 52033.0269 -109248.2115 299.0345 -161281.2384 -108892.0930 299.2715 -136.1145 -111.0885 761420.1255 21.2956 21.2585 PRESSURE: 500600 -302.027 -222.656 -11.2126 -222.656 58.017 114.278 -11.2124 114.279 35.8716 GPRESSURE: 500600 -148.01 -378.711 107.687 -102.947 8.59605 167.342 -34.2687 84.875 15.2258 PRESSAVG: 500600 12.1034 -8.25355 -56.8424 -8.25355 10.2773 -25.945 -56.8425 -25.945 6.62082 GPRESSAVG: 500600 12.0777 -9.77478 -56.9673 -8.80405 10.0812 -21.7053 -57.9486 -26.4725 7.36862 TIMING: 500600 CPU: 1582.2, 0.00315968/step Wall: 1582.2, 0.00315968/step, 3.94907 hours remaining, 232.355469 MB of memory in use. ENERGY: 500600 3962.3697 20496.2883 14546.8197 276.9001 -203332.5493 2532.9700 0.0000 0.0000 52213.2985 -109303.9031 300.0705 -161517.2016 -108937.7541 299.3077 -69.3795 -41.3960 761782.6465 9.6672 9.8425 PRESSURE: 500800 28.0389 225.165 -149.596 225.165 -448.5 -55.8858 -149.596 -55.8857 -61.4998 GPRESSURE: 500800 4.84208 212.209 -50.5071 269.729 -422.207 -135.981 -108.326 -94.6845 26.6425 PRESSAVG: 500800 16.1088 -27.3451 31.6084 -27.3451 -30.3422 40.6521 31.6084 40.6521 18.8642 GPRESSAVG: 500800 16.9165 -25.5268 31.2375 -26.0256 -31.7207 39.5765 32.6947 40.7634 19.4418 TIMING: 500800 CPU: 1582.83, 0.00315213/step Wall: 1582.83, 0.00315213/step, 3.93946 hours remaining, 232.355469 MB of memory in use. ENERGY: 500800 3974.4260 20478.5264 14549.5815 260.1369 -203027.1742 2319.9147 0.0000 0.0000 52070.8934 -109373.6954 299.2521 -161444.5888 -109007.9711 299.2612 -160.6537 -130.2407 762380.4150 1.5436 1.5459 PRESSURE: 501000 170.726 21.4258 28.9625 21.4259 47.2932 166.364 28.9622 166.366 111.606 GPRESSURE: 501000 185.378 1.6039 -15.7556 -38.8528 84.0235 189.177 58.1082 211.021 153.41 PRESSAVG: 501000 48.5139 -20.059 60.3901 -20.0589 -16.4528 25.3413 60.3901 25.3412 3.16764 GPRESSAVG: 501000 47.363 -20.9188 60.8405 -20.5229 -15.0333 25.1656 58.4109 24.8434 3.23025 TIMING: 501000 CPU: 1583.46, 0.00315021/step Wall: 1583.46, 0.00315021/step, 3.93688 hours remaining, 232.355469 MB of memory in use. ENERGY: 501000 3857.4925 20448.9158 14517.5091 275.1754 -203379.4189 2648.9897 0.0000 0.0000 52159.7629 -109471.5735 299.7629 -161631.3364 -109096.2070 299.1159 109.8750 140.9369 762514.3660 11.7429 11.8533 PRESSURE: 501200 -156.836 262.504 -139.723 262.504 -216.561 -192.26 -139.723 -192.261 -404.57 GPRESSURE: 501200 -97.8568 233.531 -132.098 281.259 -125.997 -181.324 -169.372 -142.816 -480.787 PRESSAVG: 501200 -31.354 33.0783 -8.41941 33.0784 22.6054 14.8763 -8.41945 14.8763 6.16553 GPRESSAVG: 501200 -31.3047 33.9927 -7.85824 32.9202 23.5413 14.9877 -7.53299 17.0834 4.43181 TIMING: 501200 CPU: 1584.09, 0.0031627/step Wall: 1584.09, 0.0031627/step, 3.95232 hours remaining, 232.394531 MB of memory in use. ENERGY: 501200 4016.5077 20534.3710 14514.1532 261.1060 -203288.4215 2674.7548 0.0000 0.0000 51841.6830 -109445.8458 297.9349 -161287.5288 -109092.0142 298.4415 -259.3221 -234.8801 762956.8462 -0.8610 -1.1105 PRESSURE: 501400 16.9382 -240.642 93.6664 -240.641 -216.031 64.2703 93.6668 64.2716 -257.378 GPRESSURE: 501400 -7.71669 -45.6346 45.6147 -167.387 -143.509 27.0981 152.806 116.829 -208.643 PRESSAVG: 501400 -28.8405 40.7252 19.923 40.7252 17.053 -36.3354 19.923 -36.3354 2.40588 GPRESSAVG: 501400 -28.2826 41.4342 18.8499 40.4237 16.2278 -36.9936 20.9258 -38.0225 2.89074 TIMING: 501400 CPU: 1584.72, 0.00316118/step Wall: 1584.72, 0.00316118/step, 3.95024 hours remaining, 232.394531 MB of memory in use. ENERGY: 501400 3940.7652 20571.8803 14468.1453 270.0352 -202983.5918 2536.2858 0.0000 0.0000 51790.8590 -109405.6211 297.6428 -161196.4801 -109037.8444 298.3215 -152.1569 -119.9561 763264.5953 -3.1272 -3.0547 PRESSURE: 501600 107.142 -119.485 79.536 -119.486 -22.1912 55.4512 79.5361 55.4521 111.443 GPRESSURE: 501600 85.2422 -111.322 0.206933 -22.2623 94.586 103.368 135.082 34.6662 104.396 PRESSAVG: 501600 39.2279 -25.2481 20.6474 -25.2481 -59.6799 -11.6228 20.6474 -11.6229 -3.67184 GPRESSAVG: 501600 39.6234 -25.4675 20.7762 -23.4123 -60.041 -12.6092 21.6 -12.1531 -3.10347 TIMING: 501600 CPU: 1585.35, 0.00314526/step Wall: 1585.35, 0.00314526/step, 3.93018 hours remaining, 232.394531 MB of memory in use. ENERGY: 501600 4045.1999 20546.3551 14490.8590 239.0018 -203416.5110 2734.4736 0.0000 0.0000 51984.8154 -109375.8061 298.7574 -161360.6215 -109022.9407 298.6071 65.4647 94.7415 760839.7177 -8.0413 -7.8404 PRESSURE: 501800 -283.89 77.0687 -111.499 77.0683 -320.316 265.81 -111.499 265.81 -500.821 GPRESSURE: 501800 -276.835 159.282 -58.8378 67.3734 -283.626 275.885 47.6905 125.01 -476.257 PRESSAVG: 501800 -2.2963 22.7117 2.82815 22.7118 8.33085 43.4454 2.82808 43.4454 22.6573 GPRESSAVG: 501800 -1.80963 21.6831 3.20687 21.063 8.87869 43.3987 1.58537 42.154 21.7925 TIMING: 501800 CPU: 1585.99, 0.00319503/step Wall: 1585.99, 0.00319503/step, 3.99219 hours remaining, 232.394531 MB of memory in use. ENERGY: 501800 3938.8918 20445.8290 14425.8169 239.7233 -202977.9892 2349.0708 0.0000 0.0000 52069.0893 -109509.5681 299.2418 -161578.6574 -109153.0454 298.5545 -368.3423 -345.5727 764499.5560 9.5639 9.6205 PRESSURE: 502000 8.53212 37.1337 100.109 37.1332 -167.835 -171.254 100.109 -171.255 71.7497 GPRESSURE: 502000 12.398 129.792 114.771 98.6527 -110.229 -163.021 156.542 -101.131 84.4476 PRESSAVG: 502000 11.5549 3.01317 -5.06696 3.01319 -30.0104 15.2609 -5.06695 15.2609 12.9858 GPRESSAVG: 502000 10.2357 2.2234 -6.32364 4.25119 -29.3581 15.2372 -4.37649 16.0645 13.2984 TIMING: 502000 CPU: 1586.63, 0.00317665/step Wall: 1586.63, 0.00317665/step, 3.96905 hours remaining, 232.394531 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: 502000 3925.0600 20280.3316 14512.4496 260.0720 -203252.3685 2719.9610 0.0000 0.0000 52037.1763 -109517.3181 299.0584 -161554.4944 -109150.6794 298.1049 -29.1844 -4.4611 762679.5535 -1.8232 -1.9414 PRESSURE: 502200 -45.7533 -88.1367 -83.1956 -88.1369 206.103 -123.392 -83.1957 -123.392 -70.9772 GPRESSURE: 502200 46.9172 -86.9692 -95.0532 -59.4851 230.539 -131.336 -183.268 -80.0301 -102.021 PRESSAVG: 502200 17.1768 -40.1644 17.5449 -40.1643 -17.5341 32.0097 17.5449 32.0097 6.67014 GPRESSAVG: 502200 18.4705 -37.6731 19.8492 -41.807 -18.5899 33.6179 15.4695 33.4084 6.22857 TIMING: 502200 CPU: 1587.26, 0.00317674/step Wall: 1587.26, 0.00317674/step, 3.96898 hours remaining, 232.394531 MB of memory in use. ENERGY: 502200 3917.3708 20407.3122 14507.2029 238.9248 -202984.7133 2428.8139 0.0000 0.0000 51986.0411 -109499.0475 298.7645 -161485.0886 -109145.1442 298.0049 29.7910 58.4784 762458.6377 2.1043 2.0364 PRESSURE: 502400 633.37 -31.5447 -95.9128 -31.5446 245.623 107.225 -95.9125 107.225 370.724 GPRESSURE: 502400 598.231 -54.9584 -104.894 31.4234 416.339 60.5673 -141.29 75.9598 314.243 PRESSAVG: 502400 9.32267 -5.43853 -51.2383 -5.43854 9.3965 50.6602 -51.2383 50.6601 3.90813 GPRESSAVG: 502400 8.9597 -6.78799 -53.6101 -4.4439 8.96066 50.2105 -49.4186 50.4455 4.37529 TIMING: 502400 CPU: 1587.89, 0.00316725/step Wall: 1587.89, 0.00316725/step, 3.95696 hours remaining, 232.394531 MB of memory in use. ENERGY: 502400 3903.3554 20261.1544 14460.0303 257.2385 -203509.6909 3010.6570 0.0000 0.0000 52046.2295 -109571.0257 299.1104 -161617.2552 -109212.9966 298.3029 416.5720 442.9376 761796.0121 7.5424 7.4319 PRESSURE: 502600 31.6184 158.331 -40.4627 158.331 525.654 52.6906 -40.4615 52.69 493.131 GPRESSURE: 502600 150.51 237.589 -40.3391 42.7892 552.25 -7.60089 162.087 35.1635 424.668 PRESSAVG: 502600 -41.3867 7.25947 -46.0562 7.25955 30.2502 41.1933 -46.0562 41.1932 0.237365 GPRESSAVG: 502600 -41.5829 6.96181 -44.6067 6.89543 30.4784 41.6185 -45.096 40.3654 -0.29772 TIMING: 502600 CPU: 1588.53, 0.00317449/step Wall: 1588.53, 0.00317449/step, 3.96582 hours remaining, 232.394531 MB of memory in use. ENERGY: 502600 3867.4732 20379.4665 14416.9599 251.0519 -203659.2449 3051.0313 0.0000 0.0000 52242.9594 -109450.3028 300.2410 -161693.2622 -109084.8171 298.1679 350.1345 375.8094 762376.1178 -3.6330 -3.8007 PRESSURE: 502800 -61.9363 -149.076 16.54 -149.076 -109.126 -33.56 16.5398 -33.5601 165.836 GPRESSURE: 502800 -66.8396 -126.661 96.678 -90.5228 26.1986 -61.9774 54.1975 31.3872 141.774 PRESSAVG: 502800 30.6699 40.8976 -41.0515 40.8976 -56.4819 -5.55535 -41.0515 -5.55532 -3.02879 GPRESSAVG: 502800 29.4965 42.5392 -40.9105 40.5867 -56.1634 -6.32254 -42.8278 -6.73664 -1.97642 TIMING: 502800 CPU: 1589.17, 0.00319177/step Wall: 1589.17, 0.00319177/step, 3.98723 hours remaining, 232.394531 MB of memory in use. ENERGY: 502800 3868.8416 20401.0446 14475.9741 242.7760 -202849.1857 2479.2843 0.0000 0.0000 51922.8188 -109458.4463 298.4012 -161381.2652 -109092.6711 297.9649 -1.7421 33.7111 763982.0888 -9.6136 -9.5478 PRESSURE: 503000 -78.3234 -115.533 -29.888 -115.533 120.642 283.633 -29.8874 283.633 57.3593 GPRESSURE: 503000 -46.0599 -25.8709 -25.125 -108.906 72.4327 275.007 -95.875 224.891 163.155 PRESSAVG: 503000 -51.7011 49.0445 6.57317 49.0444 46.3632 -54.3301 6.57317 -54.3301 -5.05925 GPRESSAVG: 503000 -50.3952 47.0539 5.54295 51.4124 46.1766 -53.4125 5.72664 -53.1619 -6.46451 TIMING: 503000 CPU: 1589.81, 0.00318719/step Wall: 1589.81, 0.0031872/step, 3.98134 hours remaining, 232.394531 MB of memory in use. ENERGY: 503000 3967.5116 20458.0931 14494.8720 248.0825 -203280.6367 2673.4418 0.0000 0.0000 52162.8377 -109275.7980 299.7805 -161438.6357 -108923.1051 298.5396 33.2261 63.1758 763530.8139 -3.4657 -3.5610 PRESSURE: 503200 -123.915 72.7487 109.446 72.7489 19.1919 20.2776 109.446 20.2772 -168.689 GPRESSURE: 503200 -4.3441 86.5989 139.668 36.5826 13.5805 28.4487 76.0839 -23.8874 -178.246 PRESSAVG: 503200 -6.97315 -1.77914 -22.5064 -1.77913 21.4217 19.5627 -22.5064 19.5627 28.9605 GPRESSAVG: 503200 -6.72208 -2.25421 -22.3959 -2.66075 20.941 18.0177 -21.796 19.8214 29.4371 TIMING: 503200 CPU: 1590.45, 0.0032081/step Wall: 1590.45, 0.0032081/step, 4.00727 hours remaining, 232.394531 MB of memory in use. ENERGY: 503200 4049.6775 20448.3670 14573.2491 260.3195 -203415.9717 2773.0488 0.0000 0.0000 52024.9825 -109286.3273 298.9883 -161311.3098 -108926.9522 298.8209 -91.1374 -56.3366 763399.1378 14.4697 14.5520 PRESSURE: 503400 -42.7309 -1.23148 -176.44 -1.23155 138.903 84.1031 -176.44 84.1038 -235.247 GPRESSURE: 503400 28.0377 -9.23492 -174.45 117.747 126.568 136.971 -0.71859 15.1598 -216.305 PRESSAVG: 503400 0.86234 3.95102 37.6693 3.95098 -14.4487 7.82688 37.6693 7.82691 -7.00057 GPRESSAVG: 503400 0.0851626 5.54655 38.2605 1.91996 -14.0387 8.81389 38.9818 7.59671 -6.81238 TIMING: 503400 CPU: 1591.09, 0.00319119/step Wall: 1591.09, 0.00319119/step, 3.98597 hours remaining, 232.394531 MB of memory in use. ENERGY: 503400 3940.5344 20399.4996 14512.1344 250.8044 -203560.8070 2913.0473 0.0000 0.0000 52122.3603 -109422.4266 299.5479 -161544.7869 -109059.6504 298.5968 -46.3585 -20.5666 761057.9143 -6.8623 -6.9220 PRESSURE: 503600 -284.154 169.657 95.2584 169.656 115.359 -104.568 95.2587 -104.567 -285.851 GPRESSURE: 503600 -165.774 206.806 -39.5158 118.002 105.804 -153.26 173.648 -70.6764 -296.705 PRESSAVG: 503600 18.0471 15.2628 23.8833 15.2627 -0.902331 21.3357 23.8834 21.3357 -25.0607 GPRESSAVG: 503600 18.678 14.2611 23.8017 17.0184 -1.4542 20.4059 22.2463 22.8287 -24.6534 TIMING: 503600 CPU: 1591.72, 0.00318403/step Wall: 1591.72, 0.00318403/step, 3.97685 hours remaining, 232.394531 MB of memory in use. ENERGY: 503600 3984.7353 20625.0042 14436.0208 261.2212 -203319.7748 2622.2142 0.0000 0.0000 52063.6674 -109326.9118 299.2106 -161390.5792 -108978.6613 299.1167 -151.5485 -118.8916 762728.7144 -2.6386 -2.4765 PRESSURE: 503800 49.6809 -138.587 65.4766 -138.587 -120.153 -21.4519 65.4762 -21.4522 105.998 GPRESSURE: 503800 -45.8366 -116.525 -50.8726 -166.771 71.132 -42.0262 -14.7428 -66.5845 72.0814 PRESSAVG: 503800 -13.2275 15.1662 32.704 15.1662 -40.0422 -1.59396 32.704 -1.59395 14.8549 GPRESSAVG: 503800 -13.5244 14.2435 32.5122 13.4006 -39.0941 -0.581512 32.13 -1.46871 13.854 TIMING: 503800 CPU: 1592.35, 0.00315988/step Wall: 1592.35, 0.00315988/step, 3.94651 hours remaining, 232.394531 MB of memory in use. ENERGY: 503800 4043.4742 20256.0541 14455.7757 258.4462 -203498.1974 2742.4557 0.0000 0.0000 52448.8498 -109293.1417 301.4243 -161741.9915 -108915.9524 299.7320 11.8421 32.4589 761587.0653 -12.8050 -12.9215 PRESSURE: 504000 -202.966 168.413 -89.3959 168.413 -150.964 41.6286 -89.3957 41.6291 -363.699 GPRESSURE: 504000 -181.676 55.0113 -34.4828 181.362 -89.7102 28.5608 -128.911 145.092 -357.268 PRESSAVG: 504000 -8.52698 -36.8861 -44.9924 -36.8861 25.1964 30.4527 -44.9925 30.4526 8.89482 GPRESSAVG: 504000 -8.1828 -36.6676 -45.6621 -37.4942 25.5465 29.5077 -44.3991 30.5506 8.4591 TIMING: 504000 CPU: 1592.99, 0.00317236/step Wall: 1592.99, 0.00317236/step, 3.96192 hours remaining, 232.394531 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: 504000 4006.8725 20471.8534 14506.8566 238.5871 -203265.4556 2703.2160 0.0000 0.0000 51899.9807 -109438.0892 298.2699 -161338.0700 -109082.7868 299.0638 -239.2096 -209.5515 761983.3395 8.5214 8.6076 PRESSURE: 504200 -352.597 -99.244 185.652 -99.2451 -234.772 85.2075 185.652 85.2068 -341.304 GPRESSURE: 504200 -278.769 -68.3244 204.719 -122.192 -186.336 -28.772 224.869 111.232 -373.704 PRESSAVG: 504200 2.91631 -23.3203 30.3755 -23.3202 10.1666 51.9767 30.3755 51.9768 4.06454 GPRESSAVG: 504200 1.68995 -24.5676 31.2359 -21.6203 12.0065 53.1971 31.5835 50.2066 3.96639 TIMING: 504200 CPU: 1593.62, 0.00318218/step Wall: 1593.62, 0.00318218/step, 3.97401 hours remaining, 232.394531 MB of memory in use. ENERGY: 504200 4050.3869 20315.9676 14543.1747 244.0212 -203271.8329 2537.0658 0.0000 0.0000 51874.9603 -109706.2564 298.1261 -161581.2167 -109352.1489 298.2257 -309.5578 -279.6027 761102.1815 5.7158 5.8876 LDB: ============= START OF LOAD BALANCING ============== 1606.16 LDB: ============== END OF LOAD BALANCING =============== 1606.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1606.16 LDB: ============= START OF LOAD BALANCING ============== 1606.48 LDB: Largest compute 7026 load 0.032692 is 16.7% of average load 0.195228 LDB: Average compute 0.004398 is 2.3% of average load 0.195228 LDB: TIME 1606.48 LOAD: AVG 0.195228 MAX 0.217258 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.906 MB LDB: TIME 1606.48 LOAD: AVG 0.195228 MAX 0.217258 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: TIME 1606.48 LOAD: AVG 0.195228 MAX 0.217258 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.91 MB LDB: ============== END OF LOAD BALANCING =============== 1606.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1606.49 PRESSURE: 504400 -255.513 -146.42 35.8923 -146.419 -141.683 24.4494 35.8931 24.4504 -424.659 GPRESSURE: 504400 -176.449 -174.85 -14.5845 -65.2694 -139.347 19.2009 125.401 119.628 -429.103 PRESSAVG: 504400 -4.49056 -29.6486 9.76882 -29.6487 -10.7762 11.3581 9.76881 11.358 -4.4039 GPRESSAVG: 504400 -3.92738 -28.2347 9.04985 -28.8636 -12.0589 11.4199 8.45495 9.48977 -3.95432 TIMING: 504400 CPU: 1594.27, 0.00323902/step Wall: 1594.27, 0.00323902/step, 4.04481 hours remaining, 233.378906 MB of memory in use. ENERGY: 504400 3971.7720 20386.4719 14481.4453 235.9696 -203136.3389 2287.7722 0.0000 0.0000 52049.9732 -109722.9346 299.1319 -161772.9078 -109357.5229 298.3374 -273.9516 -248.2993 761331.1975 -6.5569 -6.6469 PRESSURE: 504600 240.603 -81.7613 -231.67 -81.7605 -266.075 54.7547 -231.669 54.7546 -227.423 GPRESSURE: 504600 225.415 -160.352 -253.617 -137.668 -209.85 -12.4994 -131.387 20.3308 -186.397 PRESSAVG: 504600 44.572 12.9538 -20.2423 12.9539 -9.23436 -65.531 -20.2423 -65.531 9.0742 GPRESSAVG: 504600 44.3389 11.2783 -21.486 11.8242 -9.85098 -67.8016 -17.5641 -64.1532 9.60526 TIMING: 504600 CPU: 1594.9, 0.0031513/step Wall: 1594.9, 0.0031513/step, 3.9351 hours remaining, 233.417969 MB of memory in use. ENERGY: 504600 3980.0306 20405.1337 14532.3114 231.1000 -202900.9717 2357.3164 0.0000 0.0000 51867.2411 -109527.8385 298.0817 -161395.0796 -109169.9569 298.6062 -84.2984 -56.9439 762750.8633 14.8039 14.6977 PRESSURE: 504800 -497.879 -278.844 -261.531 -278.844 -306.986 -72.6609 -261.53 -72.6608 -81.2004 GPRESSURE: 504800 -451.002 -235.982 -187.731 -266.658 -318.714 -30.0185 -307.728 -132.46 -43.2775 PRESSAVG: 504800 -20.0548 -39.914 -5.03416 -39.914 -19.508 -39.1569 -5.03418 -39.1568 13.3958 GPRESSAVG: 504800 -20.5484 -37.9595 -3.90193 -40.9094 -19.0819 -38.1576 -7.4042 -38.6673 13.1824 TIMING: 504800 CPU: 1595.54, 0.0031695/step Wall: 1595.54, 0.0031695/step, 3.95765 hours remaining, 233.417969 MB of memory in use. ENERGY: 504800 3874.1116 20530.0681 14484.9201 254.4964 -203130.2798 2331.1244 0.0000 0.0000 52233.2939 -109422.2653 300.1855 -161655.5591 -109056.5732 298.5543 -295.3552 -270.9976 763268.0404 -8.7223 -8.8160 PRESSURE: 505000 81.7239 230.047 86.549 230.046 205.184 -119.131 86.5491 -119.13 64.2504 GPRESSURE: 505000 137.878 248.731 68.2879 194.03 273.481 -62.9494 -3.3728 -79.3469 25.1886 PRESSAVG: 505000 -12.2228 -8.00574 -18.9744 -8.0057 -20.9346 -14.9441 -18.9744 -14.9441 11.6679 GPRESSAVG: 505000 -10.8285 -9.89381 -18.8467 -7.02818 -21.7469 -15.786 -18.9029 -13.5587 10.6332 TIMING: 505000 CPU: 1596.17, 0.00316494/step Wall: 1596.17, 0.00316494/step, 3.95178 hours remaining, 233.417969 MB of memory in use. ENERGY: 505000 3926.1109 20464.8180 14437.3914 246.7873 -203513.8899 2994.3365 0.0000 0.0000 51871.7055 -109572.7403 298.1074 -161444.4458 -109213.7871 298.6138 117.0529 145.5160 762155.1234 -7.1632 -7.3141 PRESSURE: 505200 -64.9049 -144.899 182.673 -144.899 -258.758 -174.497 182.673 -174.498 -249.52 GPRESSURE: 505200 -40.993 -171.16 254.716 -101.238 -225.051 -168.621 214.349 -153.991 -213.728 PRESSAVG: 505200 7.43169 -1.76229 47.6373 -1.76229 8.13371 -3.99554 47.6373 -3.99553 3.72594 GPRESSAVG: 505200 5.40547 -0.981684 47.5653 -0.940259 8.82745 -2.28533 47.6499 -7.44076 5.08192 TIMING: 505200 CPU: 1596.81, 0.00318651/step Wall: 1596.81, 0.00318651/step, 3.97853 hours remaining, 233.417969 MB of memory in use. ENERGY: 505200 4007.8683 20334.0475 14459.7544 235.3666 -203109.0683 2513.3667 0.0000 0.0000 51900.6627 -109658.0020 298.2738 -161558.6647 -109292.5504 298.4499 -191.0608 -159.9240 763430.3406 6.4304 6.4383 PRESSURE: 505400 -315.449 -51.3586 -92.6395 -51.3589 -181.879 166.841 -92.6389 166.84 -346.904 GPRESSURE: 505400 -306.215 -108.422 -69.22 -166.34 -130.809 202.734 79.0882 150.129 -328.266 PRESSAVG: 505400 50.1161 11.8831 16.8183 11.8831 -6.88236 11.3476 16.8184 11.3476 17.6314 GPRESSAVG: 505400 50.8114 11.0961 16.5233 10.2761 -7.12401 10.8427 15.7515 12.8003 17.1636 TIMING: 505400 CPU: 1597.44, 0.00317794/step Wall: 1597.44, 0.00317794/step, 3.96766 hours remaining, 233.417969 MB of memory in use. ENERGY: 505400 4007.7166 20377.9351 14413.8843 256.8968 -203560.0060 2544.4049 0.0000 0.0000 52206.9631 -109752.2051 300.0341 -161959.1682 -109383.1052 298.5664 -281.4109 -255.0966 760915.1981 20.2884 20.2837 PRESSURE: 505600 -310.3 62.8592 -399.534 62.8588 -189.759 -87.2276 -399.534 -87.2276 -92.0965 GPRESSURE: 505600 -284.437 3.55292 -407.089 44.3066 -137.292 -49.1538 -434.027 14.7934 -81.9566 PRESSAVG: 505600 5.86182 15.2683 6.05188 15.2683 -18.2994 16.5746 6.05185 16.5745 4.89451 GPRESSAVG: 505600 6.39885 15.8038 5.84512 15.6051 -17.6357 15.5149 6.87016 17.9943 3.14476 TIMING: 505600 CPU: 1598.08, 0.00317063/step Wall: 1598.08, 0.00317063/step, 3.95835 hours remaining, 233.824219 MB of memory in use. ENERGY: 505600 4053.9950 20463.4056 14458.6991 237.7347 -203343.5083 2721.0075 0.0000 0.0000 51613.5230 -109795.1434 296.6236 -161408.6664 -109428.4906 298.0101 -197.3853 -167.8950 762667.2625 -2.5144 -2.6974 PRESSURE: 505800 182.403 39.5141 -47.3766 39.514 -262.187 177.867 -47.3764 177.868 75.4318 GPRESSURE: 505800 125.495 67.5274 20.5229 -38.7038 -205.875 144.16 -194.291 90.6638 177.8 PRESSAVG: 505800 7.90262 7.10738 -7.90465 7.10742 -14.4387 1.12429 -7.90464 1.12434 23.3734 GPRESSAVG: 505800 6.49384 7.56913 -7.66432 7.07577 -14.5534 1.52525 -9.84874 0.826449 25.1642 TIMING: 505800 CPU: 1598.71, 0.00315978/step Wall: 1598.71, 0.00315978/step, 3.94463 hours remaining, 233.824219 MB of memory in use. ENERGY: 505800 3930.8052 20528.4621 14472.8722 242.1071 -203360.2262 2788.9278 0.0000 0.0000 51821.7176 -109575.3342 297.8201 -161397.0518 -109209.3132 298.1918 -1.4510 32.4734 761707.9032 5.6124 5.7016 PRESSURE: 506000 -304.438 -53.3488 121.234 -53.3482 -54.2496 71.1229 121.234 71.1225 -165.375 GPRESSURE: 506000 -154.722 -72.6659 160.007 -106.073 -38.5024 22.2203 45.0771 54.8898 -250.85 PRESSAVG: 506000 63.1827 27.4107 24.6162 27.4108 -67.7897 28.8269 24.6162 28.8268 1.76834 GPRESSAVG: 506000 64.5631 26.806 24.5806 25.4416 -69.0773 29.2373 27.842 28.2003 1.47289 TIMING: 506000 CPU: 1599.35, 0.00318194/step Wall: 1599.35, 0.00318194/step, 3.97212 hours remaining, 233.824219 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: 506000 3936.2774 20656.2492 14446.0050 227.0331 -203491.9929 2503.9902 0.0000 0.0000 52137.0200 -109585.4180 299.6322 -161722.4380 -109224.3614 298.2954 -174.6874 -148.0245 761369.9654 -0.9462 -1.0138 PRESSURE: 506200 188.444 -42.6022 -48.7428 -42.6023 352.187 70.3154 -48.7427 70.3164 432.878 GPRESSURE: 506200 236.019 39.5491 -45.3518 -73.7877 387.54 -67.9687 -34.1906 -5.23526 444.397 PRESSAVG: 506200 19.6243 18.3425 -18.8328 18.3425 -46.4199 5.8713 -18.8328 5.87131 8.00435 GPRESSAVG: 506200 19.0316 19.218 -18.8181 19.889 -47.5839 7.08264 -18.6514 7.08849 8.97439 TIMING: 506200 CPU: 1599.98, 0.00317841/step Wall: 1599.98, 0.00317841/step, 3.96754 hours remaining, 233.824219 MB of memory in use. ENERGY: 506200 4001.8678 20492.2646 14420.9810 256.4955 -203792.2156 2849.8046 0.0000 0.0000 52152.6755 -109618.1266 299.7221 -161770.8021 -109261.6165 298.4931 324.5031 355.9853 761724.1172 -6.2638 -6.5260 PRESSURE: 506400 -47.0567 36.9693 189.756 36.9689 340.422 -204.256 189.756 -204.257 -537.991 GPRESSURE: 506400 -45.2215 48.949 29.6925 134.481 366.843 -147.419 168.522 -203.777 -467.362 PRESSAVG: 506400 21.5347 14.4667 18.7386 14.4667 -7.44631 25.4289 18.7386 25.4289 -5.78601 GPRESSAVG: 506400 22.0389 15.1174 19.3441 15.0867 -6.72548 24.2576 15.1155 24.647 -7.15275 TIMING: 506400 CPU: 1600.61, 0.00316783/step Wall: 1600.61, 0.00316783/step, 3.95416 hours remaining, 233.824219 MB of memory in use. ENERGY: 506400 4047.6868 20428.0202 14403.4967 251.2832 -203397.8298 2833.8915 0.0000 0.0000 51868.5370 -109564.9144 298.0892 -161433.4515 -109194.7466 298.3932 -81.5418 -48.5799 760738.7402 2.7675 2.7202 PRESSURE: 506600 -42.6276 -204.45 174.318 -204.451 -384.869 59.2217 174.318 59.222 -425.725 GPRESSURE: 506600 -61.3093 -143.58 246.719 -160.129 -365.736 43.8186 175.288 25.9216 -338.079 PRESSAVG: 506600 1.19953 -0.790095 -6.36644 -0.790033 -14.9891 -20.366 -6.36647 -20.3659 -15.9858 GPRESSAVG: 506600 0.725232 -3.60733 -4.76773 1.45379 -14.8823 -18.8564 -4.75524 -22.1106 -15.8917 TIMING: 506600 CPU: 1601.25, 0.00315974/step Wall: 1601.25, 0.00315974/step, 3.94388 hours remaining, 233.824219 MB of memory in use. ENERGY: 506600 4005.7185 20634.7285 14484.3667 249.1811 -203228.1980 2471.0678 0.0000 0.0000 51780.8868 -109602.2486 297.5855 -161383.1354 -109240.5290 298.8214 -284.4074 -255.0413 762406.6645 -9.9251 -10.0163 PRESSURE: 506800 118.422 140.428 -132.343 140.428 169.575 12.6126 -132.343 12.6122 131.52 GPRESSURE: 506800 189.699 138.513 -95.9804 132.668 143.387 60.4758 -185.284 -16.107 188.406 PRESSAVG: 506800 5.51892 -32.8319 -7.27156 -32.8318 11.8905 -4.58124 -7.27156 -4.58124 -13.4011 GPRESSAVG: 506800 5.51305 -31.7195 -8.68559 -34.1437 11.7789 -5.55252 -7.20429 -3.88895 -12.8492 TIMING: 506800 CPU: 1601.88, 0.00315518/step Wall: 1601.88, 0.00315518/step, 3.93801 hours remaining, 233.824219 MB of memory in use. ENERGY: 506800 3908.4495 20388.8624 14473.1634 259.5151 -203746.3517 2958.8613 0.0000 0.0000 52048.5569 -109708.9432 299.1238 -161757.5000 -109342.3395 298.5308 139.8392 173.8306 762211.8473 1.3361 1.4809 PRESSURE: 507000 171.643 -149.707 272.039 -149.707 242.894 1.30298 272.039 1.30349 409.831 GPRESSURE: 507000 178.055 -124.92 266.628 -47.7215 283.964 -41.1622 178.998 -57.802 437.668 PRESSAVG: 507000 -4.91327 -22.9576 -9.9795 -22.9576 4.83274 -41.222 -9.97947 -41.222 -8.12719 GPRESSAVG: 507000 -5.87338 -21.8597 -11.0955 -25.2499 5.55141 -39.9935 -10.5265 -42.329 -7.65188 TIMING: 507000 CPU: 1602.51, 0.00316261/step Wall: 1602.51, 0.00316261/step, 3.94712 hours remaining, 233.824219 MB of memory in use. ENERGY: 507000 3931.4465 20699.5304 14422.5171 259.8046 -203521.3048 2649.7999 0.0000 0.0000 51875.8274 -109682.3790 298.1311 -161558.2064 -109327.9958 298.2481 274.7897 299.8959 762306.8583 -2.7359 -2.6579 PRESSURE: 507200 -233.923 104.867 -112.454 104.867 231.704 -250.066 -112.454 -250.066 -240.413 GPRESSURE: 507200 -173.91 99.7226 -105.738 25.1664 326.02 -186.403 -132.971 -326.24 -306.183 PRESSAVG: 507200 -30.8001 -31.3764 69.3728 -31.3764 59.2379 7.92946 69.3728 7.92951 0.192085 GPRESSAVG: 507200 -29.615 -32.6827 69.832 -29.3003 58.5706 5.84024 71.6765 10.5605 -0.0879798 TIMING: 507200 CPU: 1603.15, 0.00317875/step Wall: 1603.15, 0.00317875/step, 3.96708 hours remaining, 233.824219 MB of memory in use. ENERGY: 507200 4050.6294 20395.3839 14418.7485 257.5647 -203461.8381 2620.7068 0.0000 0.0000 51933.2489 -109785.5558 298.4611 -161718.8047 -109428.1654 298.3128 -80.8774 -51.3577 761679.9282 9.5433 9.6225 PRESSURE: 507400 14.1835 100.372 -118.767 100.372 -185.754 191.665 -118.766 191.665 184.934 GPRESSURE: 507400 -32.2713 167.19 -69.9126 98.7626 -128.716 138.111 -8.68369 193.926 245.624 PRESSAVG: 507400 -21.6894 28.9507 55.428 28.9507 20.9387 18.444 55.428 18.444 -2.83228 GPRESSAVG: 507400 -23.5379 30.4435 55.7521 27.6953 22.7838 17.0194 54.6386 19.3405 -2.70502 TIMING: 507400 CPU: 1603.78, 0.00316125/step Wall: 1603.78, 0.00316125/step, 3.94506 hours remaining, 233.824219 MB of memory in use. ENERGY: 507400 4015.8217 20394.3381 14401.8226 239.7567 -203324.1980 2346.9932 0.0000 0.0000 51919.3470 -110006.1187 298.3812 -161925.4657 -109648.1195 297.9998 4.4547 28.2121 761951.1429 -1.1943 -1.1531 PRESSURE: 507600 -250.94 97.6625 -87.89 97.6626 96.6033 30.6998 -87.8892 30.6997 351.683 GPRESSURE: 507600 -190.536 90.2196 -155.646 202.922 107.464 112.22 -71.2815 -95.339 372.998 PRESSAVG: 507600 36.9174 43.9522 -36.705 43.9521 -49.4017 17.8098 -36.7049 17.8097 48.8415 GPRESSAVG: 507600 38.4325 42.1426 -37.6703 44.1491 -50.816 19.749 -36.2436 16.8511 48.6188 TIMING: 507600 CPU: 1604.41, 0.00316931/step Wall: 1604.41, 0.00316931/step, 3.95495 hours remaining, 233.824219 MB of memory in use. ENERGY: 507600 3961.7178 20431.1962 14448.6646 225.9387 -203798.7858 2987.0053 0.0000 0.0000 51915.6860 -109828.5772 298.3602 -161744.2632 -109465.7058 297.9751 65.7821 96.6420 763554.6684 12.1191 12.0784 PRESSURE: 507800 326.339 -69.5051 53.4456 -69.5048 138.74 194.245 53.4456 194.246 2.68218 GPRESSURE: 507800 324.467 -56.9283 160.644 -53.4462 166.535 149.517 8.02162 163.752 65.7422 PRESSAVG: 507800 5.96002 -28.1616 11.9041 -28.1617 3.55333 28.8889 11.9041 28.8888 -17.1218 GPRESSAVG: 507800 5.88296 -27.4567 13.2721 -28.663 3.26751 30.3589 10.7932 29.0531 -16.7362 TIMING: 507800 CPU: 1605.04, 0.00315066/step Wall: 1605.04, 0.00315066/step, 3.9315 hours remaining, 233.824219 MB of memory in use. ENERGY: 507800 3906.1284 20307.4611 14444.0430 246.0933 -203343.0245 2781.6415 0.0000 0.0000 51819.3547 -109838.3026 297.8065 -161657.6572 -109481.0601 297.6247 155.9204 185.5815 762390.5333 -2.5361 -2.5286 PRESSURE: 508000 -175.914 -75.1031 78.1772 -75.1024 333.909 137.025 78.1778 137.026 129.723 GPRESSURE: 508000 -137.896 -147.969 123.602 -63.7144 385.478 173.019 -75.8807 159.089 126.978 PRESSAVG: 508000 -6.84658 -0.615159 -10.0376 -0.61509 30.1538 -9.16151 -10.0376 -9.16156 -4.84366 GPRESSAVG: 508000 -6.69787 -3.01294 -10.9785 -0.653979 30.0055 -10.1472 -9.08038 -9.34219 -5.2894 TIMING: 508000 CPU: 1605.68, 0.00318093/step Wall: 1605.68, 0.00318093/step, 3.96909 hours remaining, 233.824219 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: 508000 3887.4692 20399.3038 14450.0805 237.9828 -203412.0622 2850.1164 0.0000 0.0000 52011.3910 -109575.7185 298.9102 -161587.1095 -109212.5418 298.1737 95.9059 124.8536 762226.5301 6.1545 6.0061 PRESSURE: 508200 -66.3051 137.976 -248.206 137.977 193.938 -245.025 -248.206 -245.026 -101.432 GPRESSURE: 508200 -0.300296 178.04 -276.307 -5.52451 127.207 -138.214 -124.942 -270.511 -13.9207 PRESSAVG: 508200 -19.903 21.7168 -24.1983 21.7168 -16.7603 3.54599 -24.1983 3.54593 5.96144 GPRESSAVG: 508200 -18.7128 23.6122 -22.6209 22.8946 -17.4676 4.55601 -26.3141 -0.0814887 5.92475 TIMING: 508200 CPU: 1606.31, 0.00316711/step Wall: 1606.31, 0.00316711/step, 3.95167 hours remaining, 233.824219 MB of memory in use. ENERGY: 508200 3902.5389 20449.2928 14458.4543 248.8668 -202943.0567 2608.0195 0.0000 0.0000 51995.6838 -109280.2005 298.8199 -161275.8843 -108912.9196 298.7827 8.7338 37.6621 761369.3153 -10.2339 -10.0852 LDB: ============= START OF LOAD BALANCING ============== 1618.85 LDB: ============== END OF LOAD BALANCING =============== 1618.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1618.85 LDB: ============= START OF LOAD BALANCING ============== 1619.17 LDB: Largest compute 7078 load 0.031607 is 16.2% of average load 0.195181 LDB: Average compute 0.004394 is 2.3% of average load 0.195181 LDB: TIME 1619.17 LOAD: AVG 0.195181 MAX 0.214177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.328 MB LDB: TIME 1619.17 LOAD: AVG 0.195181 MAX 0.214177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: TIME 1619.17 LOAD: AVG 0.195181 MAX 0.214177 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.395 MB LDB: ============== END OF LOAD BALANCING =============== 1619.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1619.18 PRESSURE: 508400 3.42131 6.02535 -160.582 6.02463 9.69429 -156.393 -160.583 -156.393 -254.034 GPRESSURE: 508400 10.2583 -16.9737 -111.592 -37.087 58.2285 -175.367 -121.776 -73.7858 -235.341 PRESSAVG: 508400 -25.5524 -37.2251 44.8806 -37.2251 26.7836 -40.9631 44.8806 -40.9631 -2.54195 GPRESSAVG: 508400 -25.0163 -37.1591 43.2391 -35.8525 26.7987 -42.1042 47.6036 -36.0041 -3.49615 TIMING: 508400 CPU: 1606.96, 0.00324651/step Wall: 1606.96, 0.00324651/step, 4.05056 hours remaining, 233.378906 MB of memory in use. ENERGY: 508400 4004.9434 20470.5209 14406.2645 238.6566 -202873.4949 2482.5378 0.0000 0.0000 52279.7391 -108990.8326 300.4524 -161270.5717 -108627.7874 298.9813 -80.3061 -55.6182 762931.8545 -0.4369 -0.5712 PRESSURE: 508600 293.291 -145.12 27.846 -145.12 256.214 -143.031 27.8467 -143.032 411.246 GPRESSURE: 508600 336.578 -66.2413 36.6221 -240.82 253.977 -338.255 -46.5849 -1.7916 465.171 PRESSAVG: 508600 -10.9908 8.9396 65.7982 8.93957 -3.89273 14.1532 65.7983 14.1533 14.8476 GPRESSAVG: 508600 -11.8312 10.3296 68.7443 5.82386 -2.67676 14.6338 62.3202 13.0384 14.55 TIMING: 508600 CPU: 1607.6, 0.00317324/step Wall: 1607.6, 0.00317323/step, 3.95896 hours remaining, 233.621094 MB of memory in use. ENERGY: 508600 3942.0613 20541.9480 14380.8724 269.7958 -203178.1974 2742.1487 0.0000 0.0000 52236.6564 -109064.7148 300.2048 -161301.3711 -108701.6671 299.4944 320.2506 351.9086 762214.7932 -0.0120 0.0140 PRESSURE: 508800 -106.604 18.6982 -25.6241 18.6971 264.3 114.069 -25.6243 114.069 -124.276 GPRESSURE: 508800 -52.9529 69.1142 -77.4441 -79.1082 219.45 113.363 52.6387 147.334 -43.1392 PRESSAVG: 508800 35.0944 36.3175 12.7542 36.3175 30.5938 -15.3473 12.7542 -15.3473 -18.2212 GPRESSAVG: 508800 34.3261 33.7281 9.20255 37.5688 29.8258 -14.2704 14.2755 -17.4784 -16.6792 TIMING: 508800 CPU: 1608.23, 0.0031652/step Wall: 1608.23, 0.0031652/step, 3.94876 hours remaining, 233.621094 MB of memory in use. ENERGY: 508800 4047.9558 20445.5479 14423.2135 236.1869 -202845.8842 2221.9549 0.0000 0.0000 52314.9089 -109156.1162 300.6545 -161471.0251 -108787.5099 299.7939 11.1400 41.1192 762907.4345 15.8223 15.8242 PRESSURE: 509000 -36.0192 15.6159 -156.494 15.6162 3.07564 -59.1157 -156.494 -59.1151 -18.6682 GPRESSURE: 509000 26.9662 12.4146 -175.608 65.9327 23.5406 30.81 -213.674 -93.4486 -23.8944 PRESSAVG: 509000 -7.61388 54.8074 7.7763 54.8074 61.0474 -60.6963 7.77635 -60.6963 22.6717 GPRESSAVG: 509000 -6.77369 56.0483 8.55101 54.2043 60.4545 -61.3296 7.53516 -59.3536 22.1472 TIMING: 509000 CPU: 1608.86, 0.0031705/step Wall: 1608.86, 0.0031705/step, 3.9552 hours remaining, 233.621094 MB of memory in use. ENERGY: 509000 4057.2382 20517.1481 14485.4444 251.0493 -202686.3934 2224.6951 0.0000 0.0000 51999.1177 -109151.7007 298.8396 -161150.8183 -108801.2625 299.7965 -17.2039 8.8708 760580.4548 25.3684 25.2760 PRESSURE: 509200 -38.5871 219.562 -109.373 219.561 -475.707 9.67954 -109.373 9.67933 -341.428 GPRESSURE: 509200 -157.435 184.387 -177.646 127.128 -261.7 -49.763 -8.51784 64.4944 -333.306 PRESSAVG: 509200 30.8391 17.3384 -38.6804 17.3384 -59.3138 0.54185 -38.6804 0.541815 10.3426 GPRESSAVG: 509200 30.0906 17.0114 -38.5924 16.2032 -58.7562 -1.40727 -38.1304 0.557868 10.4546 TIMING: 509200 CPU: 1609.5, 0.00318984/step Wall: 1609.5, 0.00318984/step, 3.97915 hours remaining, 233.621094 MB of memory in use. ENERGY: 509200 4029.4687 20680.6415 14482.0673 233.0830 -202664.9536 2408.8174 0.0000 0.0000 51915.9331 -108914.9426 298.3616 -160830.8757 -108558.0033 300.0113 -285.2406 -250.8135 763510.0184 -6.0440 -6.0703 PRESSURE: 509400 -187.314 69.2743 144.48 69.2742 -253.458 38.3272 144.479 38.327 -3.95708 GPRESSURE: 509400 -45.9105 264.946 74.4904 5.88886 -325.4 -12.1377 95.7258 -76.6396 17.1745 PRESSAVG: 509400 22.9802 59.8912 1.31375 59.8912 12.9685 -20.4465 1.31382 -20.4466 25.6553 GPRESSAVG: 509400 22.6495 61.4764 0.211324 60.9651 12.7109 -20.0394 0.605342 -20.1892 26.5145 TIMING: 509400 CPU: 1610.14, 0.00317671/step Wall: 1610.14, 0.00317671/step, 3.9626 hours remaining, 233.621094 MB of memory in use. ENERGY: 509400 3981.6617 20538.7490 14404.1584 256.8732 -202674.4607 2349.1737 0.0000 0.0000 52296.0890 -108847.7556 300.5463 -161143.8446 -108489.2942 300.3014 -148.2429 -118.0453 762257.0238 20.5347 20.6250 PRESSURE: 509600 158.157 112.057 14.9943 112.059 20.7006 -162.947 14.9947 -162.947 167.706 GPRESSURE: 509600 230.002 93.2381 25.2921 221.727 10.4661 -122.314 30.0688 -125.188 195.104 PRESSAVG: 509600 1.45018 40.2864 -10.2739 40.2864 3.10963 -18.799 -10.2739 -18.7991 -0.172768 GPRESSAVG: 509600 2.28425 38.1494 -9.06497 40.8936 2.63634 -17.0242 -10.623 -19.3458 -0.571336 TIMING: 509600 CPU: 1610.77, 0.00316712/step Wall: 1610.77, 0.00316712/step, 3.95045 hours remaining, 233.621094 MB of memory in use. ENERGY: 509600 4060.0968 20493.5021 14547.8656 239.7260 -203019.9482 2482.6210 0.0000 0.0000 52202.4295 -108993.7072 300.0081 -161196.1367 -108634.6732 300.3042 115.5213 145.1908 762098.2507 1.4623 1.4498 PRESSURE: 509800 2.0291 360.616 49.364 360.618 -228.846 1.12663 49.3637 1.1274 376.683 GPRESSURE: 509800 74.6565 327.881 60.0559 347.954 -205.397 -83.6077 14.3059 93.6826 368.008 PRESSAVG: 509800 20.5589 13.8212 -16.4694 13.8212 -72.8847 -46.3608 -16.4695 -46.3608 13.7561 GPRESSAVG: 509800 20.9851 16.2086 -17.4708 13.2901 -72.647 -47.2726 -15.5912 -47.0287 13.419 TIMING: 509800 CPU: 1611.4, 0.0031705/step Wall: 1611.4, 0.0031705/step, 3.9545 hours remaining, 233.621094 MB of memory in use. ENERGY: 509800 4086.6686 20543.8829 14561.9672 234.7461 -203428.2867 2797.4563 0.0000 0.0000 52162.1436 -109041.4220 299.7766 -161203.5656 -108683.7601 300.0226 49.9557 79.0891 762395.2942 -12.8566 -12.7476 PRESSURE: 510000 478.182 30.9695 -122.509 30.9689 361.263 -148.679 -122.508 -148.679 -178.762 GPRESSURE: 510000 438.224 101.775 -81.8773 22.7888 454.25 -63.4863 -148.468 -119.708 -151.904 PRESSAVG: 510000 24.915 -17.2199 -14.9554 -17.2199 -11.8815 -36.372 -14.9554 -36.372 3.33632 GPRESSAVG: 510000 24.493 -18.4964 -13.7501 -16.5744 -11.2648 -36.0888 -15.5699 -36.036 3.4791 TIMING: 510000 CPU: 1612.03, 0.00313183/step Wall: 1612.03, 0.00313183/step, 3.90609 hours remaining, 233.621094 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: 510000 3921.5078 20446.4825 14549.7775 253.0264 -203301.0672 2814.8587 0.0000 0.0000 52230.2763 -109085.1380 300.1681 -161315.4143 -108716.8666 299.6781 220.2276 246.8565 762251.2225 5.4566 5.5691 PRESSURE: 510200 40.1047 168.047 -66.7712 168.048 -117.166 69.7509 -66.7709 69.7514 99.1339 GPRESSURE: 510200 121.102 162.595 -75.2738 77.3411 -76.7005 81.4326 69.4542 10.2766 54.1041 PRESSAVG: 510200 0.64226 37.7931 20.6327 37.7931 19.311 13.3518 20.6327 13.3518 -2.4051 GPRESSAVG: 510200 0.742998 38.7693 19.2165 36.6941 19.1866 11.9679 21.7604 14.2845 -2.14461 TIMING: 510200 CPU: 1612.66, 0.00315259/step Wall: 1612.66, 0.00315259/step, 3.9318 hours remaining, 233.621094 MB of memory in use. ENERGY: 510200 3994.1501 20662.9921 14489.7491 249.6052 -203627.5511 3104.7164 0.0000 0.0000 52210.7421 -108915.5961 300.0559 -161126.3382 -108552.1098 300.5469 7.3577 32.8352 764134.6686 5.8494 5.9283 PRESSURE: 510400 2.22449 5.17755 -68.0328 5.17704 189.856 -223.628 -68.033 -223.627 -252.923 GPRESSURE: 510400 71.419 19.2721 -28.8379 -81.653 169.279 -235.339 -51.8243 -99.1127 -205.764 PRESSAVG: 510400 57.811 32.7584 -0.546863 32.7584 -17.752 16.0599 -0.54681 16.0599 -1.70547 GPRESSAVG: 510400 58.2615 32.4099 0.43954 32.935 -17.6122 15.2152 -2.04592 13.5699 -2.34245 TIMING: 510400 CPU: 1613.29, 0.00313506/step Wall: 1613.29, 0.00313506/step, 3.90977 hours remaining, 233.621094 MB of memory in use. ENERGY: 510400 4077.6692 20687.8685 14503.7867 243.4902 -203163.9732 2739.7054 0.0000 0.0000 52108.4709 -108802.9821 299.4681 -160911.4531 -108453.1228 300.4783 -20.2808 11.6449 763876.9097 12.7845 12.7689 PRESSURE: 510600 -64.7949 10.8555 -36.814 10.855 -123.583 69.3075 -36.8145 69.308 149.32 GPRESSURE: 510600 -20.7895 95.9081 -74.9375 141.685 -65.3202 17.1891 103.42 37.4753 148.335 PRESSAVG: 510600 -15.8248 45.7749 4.95228 45.7749 26.361 -20.421 4.95232 -20.4209 10.9341 GPRESSAVG: 510600 -16.0469 44.421 5.52224 47.0023 25.9564 -18.7405 6.60709 -21.187 11.4925 TIMING: 510600 CPU: 1613.92, 0.00317488/step Wall: 1613.92, 0.00317488/step, 3.95925 hours remaining, 233.621094 MB of memory in use. ENERGY: 510600 4007.4437 20449.1481 14463.2520 256.4381 -203049.6889 2585.0427 0.0000 0.0000 52328.4160 -108959.9482 300.7321 -161288.3642 -108593.9378 300.4312 -13.0193 20.7418 763070.3814 7.1568 7.1340 PRESSURE: 510800 -3.4154 202.508 -8.19921 202.508 213.15 -17.7776 -8.19963 -17.7762 46.3169 GPRESSURE: 510800 10.7701 71.4334 14.8597 135.078 290.868 12.8006 28.1574 5.69508 35.5335 PRESSAVG: 510800 3.51631 29.2454 42.0082 29.2453 -16.0526 -46.8084 42.0082 -46.8084 -6.23275 GPRESSAVG: 510800 3.83547 29.3401 41.4419 31.4275 -16.4889 -46.8123 41.2388 -44.9852 -5.73516 TIMING: 510800 CPU: 1614.55, 0.00315876/step Wall: 1614.55, 0.00315876/step, 3.93898 hours remaining, 233.621094 MB of memory in use. ENERGY: 510800 3960.9808 20607.2193 14494.3524 256.9471 -202966.9971 2524.9535 0.0000 0.0000 52196.5480 -108925.9961 299.9743 -161122.5441 -108553.6871 300.3487 85.3505 112.3904 763573.9483 -6.2563 -6.1295 PRESSURE: 511000 -300.438 76.439 -56.3554 76.4392 -242.643 262.499 -56.3545 262.499 127.949 GPRESSURE: 511000 -261.093 -12.9565 -37.006 129.741 -209.328 212.084 -53.7312 83.4015 113.965 PRESSAVG: 511000 0.181384 33.6143 -7.33333 33.6142 -13.8209 -23.1536 -7.33328 -23.1536 23.9564 GPRESSAVG: 511000 -0.276506 32.8657 -9.05514 32.2149 -12.6302 -22.9195 -5.90337 -23.9327 23.0471 TIMING: 511000 CPU: 1615.19, 0.00315652/step Wall: 1615.19, 0.00315652/step, 3.93601 hours remaining, 233.621094 MB of memory in use. ENERGY: 511000 3862.3186 20681.0249 14499.9337 232.4588 -203081.5295 2370.8157 0.0000 0.0000 52366.8429 -109068.1350 300.9530 -161434.9778 -108709.2808 300.2369 -138.3772 -118.8185 761924.9716 3.4390 3.3802 PRESSURE: 511200 -89.2646 150.738 -20.3938 150.737 -206.992 169.691 -20.3936 169.691 447.846 GPRESSURE: 511200 -98.3762 239.915 5.72338 62.3211 -136.387 131.201 67.0114 204.654 461.888 PRESSAVG: 511200 -2.36443 39.6181 -13.8511 39.6181 -8.60843 -43.0176 -13.8511 -43.0176 -13.8631 GPRESSAVG: 511200 -1.2139 40.2067 -12.6807 38.6378 -9.57069 -41.3731 -14.3616 -44.8107 -13.9421 TIMING: 511200 CPU: 1615.82, 0.00315782/step Wall: 1615.82, 0.00315782/step, 3.93745 hours remaining, 233.621094 MB of memory in use. ENERGY: 511200 3948.7272 20719.9031 14470.6122 249.6478 -203147.2409 2476.3594 0.0000 0.0000 51991.5700 -109290.4213 298.7963 -161281.9913 -108941.7234 299.2143 50.5299 75.7083 763214.8365 -8.2787 -8.2422 PRESSURE: 511400 -103.426 143.62 -236.713 143.621 -40.5556 92.66 -236.712 92.6599 78.5826 GPRESSURE: 511400 -71.283 159.166 -181.216 136.599 -28.057 103.779 -243.158 38.6273 129.829 PRESSAVG: 511400 -8.57246 74.9785 28.2038 74.9784 -1.2835 8.03065 28.2038 8.03059 -7.31425 GPRESSAVG: 511400 -9.48564 74.5154 28.3647 74.9684 -0.320104 7.54176 27.4782 8.80849 -6.85399 TIMING: 511400 CPU: 1616.45, 0.00314964/step Wall: 1616.45, 0.00314964/step, 3.92707 hours remaining, 233.621094 MB of memory in use. ENERGY: 511400 3872.7465 20605.1168 14495.2304 250.4780 -203148.3015 2510.8174 0.0000 0.0000 52145.5055 -109268.4069 299.6809 -161413.9124 -108898.5741 298.9979 -21.7996 10.1629 762355.9882 -5.7234 -5.5532 PRESSURE: 511600 56.7012 19.4015 154.6 19.4026 -23.108 99.9063 154.6 99.906 -208.511 GPRESSURE: 511600 116.643 46.1193 136.222 73.2558 11.1585 90.3264 241.47 93.9803 -189.334 PRESSAVG: 511600 -52.8961 92.9681 -11.7645 92.9681 57.7635 -43.0368 -11.7645 -43.0368 -6.06785 GPRESSAVG: 511600 -52.8522 93.0377 -11.1757 91.774 57.7548 -45.0396 -10.6913 -40.0875 -6.19989 TIMING: 511600 CPU: 1617.08, 0.00315924/step Wall: 1617.08, 0.00315924/step, 3.93887 hours remaining, 233.621094 MB of memory in use. ENERGY: 511600 3905.0434 20585.2053 14420.3959 259.9715 -202862.5375 2565.9813 0.0000 0.0000 51820.5804 -109305.3597 297.8136 -161125.9401 -108935.2017 299.2121 -58.3058 -20.5108 763218.8757 -0.4001 -0.4324 PRESSURE: 511800 -277.127 -82.2229 60.6657 -82.2225 120.2 -9.66856 60.6653 -9.66917 -18.6334 GPRESSURE: 511800 -211.205 -59.9967 5.03706 -87.1271 129.113 46.0598 146.367 -50.7067 12.842 PRESSAVG: 511800 44.6554 4.26828 28.536 4.26821 -46.7964 -12.2115 28.536 -12.2115 8.2103 GPRESSAVG: 511800 45.078 4.61358 27.9229 4.01868 -46.1725 -11.4476 26.635 -12.8307 7.20612 TIMING: 511800 CPU: 1617.72, 0.00318351/step Wall: 1617.72, 0.0031835/step, 3.96895 hours remaining, 233.621094 MB of memory in use. ENERGY: 511800 3945.8855 20540.6179 14451.5144 244.6097 -203019.8510 2543.0657 0.0000 0.0000 51998.6040 -109295.5538 298.8367 -161294.1578 -108937.8815 298.8334 -58.5201 -23.0832 761502.1060 2.0231 2.0372 PRESSURE: 512000 49.7519 240.816 358.868 240.817 94.5597 12.2534 358.868 12.2529 -27.7072 GPRESSURE: 512000 113.388 113.518 287.738 236.021 130.756 44.0672 254.933 47.0528 -24.1911 PRESSAVG: 512000 -5.12785 20.4234 4.69072 20.4233 31.1251 39.4833 4.6907 39.4832 22.8082 GPRESSAVG: 512000 -4.73197 20.4147 6.05474 21.2469 30.5472 41.3196 3.4267 37.5826 23.0772 TIMING: 512000 CPU: 1618.35, 0.00315901/step Wall: 1618.35, 0.00315901/step, 3.93824 hours remaining, 233.621094 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: 512000 3994.5175 20471.5010 14471.5035 249.5292 -203526.8126 2747.5003 0.0000 0.0000 52063.1315 -109529.1295 299.2075 -161592.2610 -109167.1089 299.0748 38.8681 73.3175 760604.6540 16.2685 16.2975 PRESSURE: 512200 6.47109 -12.6115 -54.0392 -12.6122 -63.1383 -297.797 -54.0399 -297.798 -397.175 GPRESSURE: 512200 -16.1676 -58.7802 -123.861 13.8172 -7.2573 -311.711 111.76 -182.537 -339.192 PRESSAVG: 512200 33.6764 2.364 7.38672 2.36406 -0.154783 -20.0714 7.38666 -20.0713 -22.9012 GPRESSAVG: 512200 33.7562 3.39223 5.4282 1.64843 -0.605795 -20.3205 9.30803 -17.5687 -22.6676 TIMING: 512200 CPU: 1618.98, 0.00315115/step Wall: 1618.98, 0.00315115/step, 3.92826 hours remaining, 233.621094 MB of memory in use. ENERGY: 512200 4106.7120 20476.0193 14379.9902 233.7671 -203408.2969 2769.5748 0.0000 0.0000 51971.3095 -109470.9240 298.6798 -161442.2336 -109118.7606 299.0603 -151.2806 -120.8723 760681.3084 3.5401 3.4943 LDB: ============= START OF LOAD BALANCING ============== 1631.51 LDB: ============== END OF LOAD BALANCING =============== 1631.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1631.51 LDB: ============= START OF LOAD BALANCING ============== 1631.83 LDB: Largest compute 7031 load 0.032335 is 16.6% of average load 0.195190 LDB: Average compute 0.004396 is 2.3% of average load 0.195190 LDB: TIME 1631.83 LOAD: AVG 0.19519 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.879 MB LDB: TIME 1631.83 LOAD: AVG 0.19519 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.945 MB LDB: TIME 1631.83 LOAD: AVG 0.19519 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.945 MB LDB: ============== END OF LOAD BALANCING =============== 1631.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1631.84 PRESSURE: 512400 106.341 -22.7921 134.006 -22.7917 -274.613 18.4649 134.006 18.4646 -82.5115 GPRESSURE: 512400 122.245 -11.5076 60.1164 -36.9995 -190.478 -24.8885 147.591 5.44339 -87.4007 PRESSAVG: 512400 53.6466 14.5734 -2.7077 14.5734 -11.7071 -9.24351 -2.7077 -9.24351 -3.09348 GPRESSAVG: 512400 54.0457 13.8662 -1.66135 15.5982 -11.9949 -8.98946 -3.50186 -10.8711 -3.16884 TIMING: 512400 CPU: 1619.62, 0.00323461/step Wall: 1619.62, 0.00323461/step, 4.03212 hours remaining, 232.285156 MB of memory in use. ENERGY: 512400 3961.3543 20382.7210 14560.8662 245.2277 -203367.3600 2510.5259 0.0000 0.0000 52053.9315 -109652.7334 299.1547 -161706.6649 -109284.7362 299.0356 -83.5942 -51.8781 761201.5805 12.9487 12.9607 PRESSURE: 512600 26.8064 53.2589 -75.1869 53.2584 187.831 -279.417 -75.1872 -279.417 -70.9811 GPRESSURE: 512600 19.7534 33.5262 -71.3686 41.9342 249.445 -276.514 -74.3483 -211.183 -45.2254 PRESSAVG: 512600 20.7102 -12.5951 2.31956 -12.5951 -27.4951 -28.6966 2.31956 -28.6966 -9.50555 GPRESSAVG: 512600 18.649 -12.8194 2.35559 -12.5452 -25.9035 -29.6774 1.60903 -26.8117 -9.14837 TIMING: 512600 CPU: 1620.26, 0.00316388/step Wall: 1620.26, 0.00316388/step, 3.94378 hours remaining, 232.480469 MB of memory in use. ENERGY: 512600 3967.7192 20588.4001 14447.0020 244.2259 -203485.7369 2821.1731 0.0000 0.0000 51861.5876 -109555.6289 298.0493 -161417.2165 -109190.9465 298.1200 47.8855 74.6575 762705.4300 -5.4302 -5.4676 PRESSURE: 512800 -105.617 -15.4606 337.97 -15.4605 -383.871 -42.5597 337.969 -42.5613 -327.315 GPRESSURE: 512800 36.5354 18.8199 237.563 17.9166 -414.23 -112.164 315.836 -33.9681 -369.299 PRESSAVG: 512800 -34.1992 25.3001 13.0091 25.3001 -6.50803 5.6365 13.009 5.63642 -1.96791 GPRESSAVG: 512800 -33.197 26.2522 11.677 24.1135 -8.90993 5.47303 13.92 5.38973 -0.669133 TIMING: 512800 CPU: 1620.89, 0.0031573/step Wall: 1620.89, 0.0031573/step, 3.9354 hours remaining, 232.519531 MB of memory in use. ENERGY: 512800 4064.5295 20655.5273 14461.4816 235.2536 -203893.2867 3094.4506 0.0000 0.0000 52059.5882 -109322.4558 299.1872 -161382.0440 -108968.3895 299.2089 -272.2678 -248.9979 763493.5879 -14.2250 -14.2587 PRESSURE: 513000 330.276 9.13095 77.6953 9.13108 9.19091 85.5543 77.6964 85.5534 -74.3534 GPRESSURE: 513000 310.097 -19.0487 119.488 19.3481 86.4458 127.974 -3.12544 -14.8574 -5.12706 PRESSAVG: 513000 46.915 62.4223 18.8937 62.4223 -28.0933 5.92547 18.8938 5.92558 3.78475 GPRESSAVG: 513000 46.0986 60.8061 19.2773 63.786 -26.5697 5.40781 19.5707 4.70951 2.59376 TIMING: 513000 CPU: 1621.52, 0.00317056/step Wall: 1621.52, 0.00317056/step, 3.95175 hours remaining, 232.519531 MB of memory in use. ENERGY: 513000 3963.0760 20478.8212 14548.0062 263.3746 -203463.4388 2570.9790 0.0000 0.0000 52210.1666 -109429.0152 300.0525 -161639.1819 -109055.7631 299.5722 88.3713 130.4718 761038.3715 7.5355 7.3742 PRESSURE: 513200 -494.22 -125.023 71.0445 -125.023 -296.671 22.5984 71.0436 22.5996 163.687 GPRESSURE: 513200 -460.649 -104.514 41.1097 -95.9486 -308.489 109.923 102.22 17.6275 212.31 PRESSAVG: 513200 48.279 33.4223 -0.0914686 33.4223 -90.4663 -4.92622 -0.0914575 -4.92615 -9.60249 GPRESSAVG: 513200 47.827 33.7506 0.517336 34.4455 -91.0293 -4.57381 -0.744273 -4.92485 -8.99553 TIMING: 513200 CPU: 1622.16, 0.00317816/step Wall: 1622.16, 0.00317816/step, 3.96105 hours remaining, 232.519531 MB of memory in use. ENERGY: 513200 4047.7981 20494.9192 14466.6947 252.9877 -203468.0366 2484.5677 0.0000 0.0000 52268.9967 -109452.0724 300.3906 -161721.0691 -109073.7870 298.7722 -209.0683 -185.6091 762912.0627 -17.2633 -17.3993 PRESSURE: 513400 108.727 -242.238 -198.074 -242.238 309.981 -95.7643 -198.075 -95.7648 -87.1815 GPRESSURE: 513400 138.026 -314.646 -240.232 -295.554 304.381 -113.236 -214.629 -130.136 -35.1559 PRESSAVG: 513400 26.1781 -29.8793 11.1366 -29.8793 -6.42445 -1.94367 11.1366 -1.94368 16.3847 GPRESSAVG: 513400 28.0769 -30.7589 10.4221 -31.6399 -8.13617 -2.57345 11.0102 -0.344533 15.5914 TIMING: 513400 CPU: 1622.79, 0.00316589/step Wall: 1622.79, 0.00316589/step, 3.94557 hours remaining, 232.519531 MB of memory in use. ENERGY: 513400 4044.1715 20604.5919 14478.8818 234.0652 -203837.1844 2991.0720 0.0000 0.0000 52001.8486 -109482.5534 298.8553 -161484.4020 -109113.4679 299.1173 110.5089 135.7503 761077.4100 12.0461 11.8440 PRESSURE: 513600 -245.822 -85.6612 -123.578 -85.6598 -126.604 -225.93 -123.578 -225.93 -141.128 GPRESSURE: 513600 -267.874 -30.9569 -152.878 28.5997 -15.4476 -219.798 -95.7929 -138.554 -139.925 PRESSAVG: 513600 76.2193 -50.7755 10.1681 -50.7755 -61.2215 23.2644 10.1681 23.2644 2.98372 GPRESSAVG: 513600 73.4888 -50.5902 9.2051 -50.4257 -59.9459 23.1797 9.58797 22.701 3.77821 TIMING: 513600 CPU: 1623.42, 0.00316467/step Wall: 1623.42, 0.00316467/step, 3.94388 hours remaining, 232.519531 MB of memory in use. ENERGY: 513600 3927.7840 20642.0630 14513.4398 248.4096 -203104.1873 2465.6537 0.0000 0.0000 51892.0622 -109414.7751 298.2244 -161306.8373 -109050.2772 298.9316 -171.1849 -141.0821 762268.9528 5.9938 5.7737 PRESSURE: 513800 49.6729 -18.3905 181.188 -18.39 391.696 128.265 181.189 128.265 114.307 GPRESSURE: 513800 96.8462 -2.13256 129.298 15.51 363.21 156.998 183.468 52.1168 195.163 PRESSAVG: 513800 36.9069 -28.0792 -3.90792 -28.0792 -20.0389 16.1566 -3.90791 16.1566 13.2315 GPRESSAVG: 513800 38.7278 -26.4985 -4.17795 -29.0053 -20.9601 16.4904 -3.50848 15.5612 12.2482 TIMING: 513800 CPU: 1624.06, 0.00315834/step Wall: 1624.06, 0.00315834/step, 3.93582 hours remaining, 232.519531 MB of memory in use. ENERGY: 513800 3944.1153 20577.8772 14534.0308 247.9540 -203783.9013 3088.3122 0.0000 0.0000 52100.4809 -109291.1309 299.4222 -161391.6118 -108931.8647 299.2269 185.2254 218.4065 761845.8946 10.0332 10.0053 PRESSURE: 514000 45.3689 40.562 35.9667 40.5619 39.0284 285.927 35.967 285.927 -9.89146 GPRESSURE: 514000 13.1278 -80.5283 41.1274 103.932 118.517 312.577 -12.9995 269.658 11.0154 PRESSAVG: 514000 -22.6343 -16.3216 17.0191 -16.3216 28.1074 30.0819 17.0191 30.0819 -7.61281 GPRESSAVG: 514000 -22.6487 -16.2132 18.2163 -17.2423 27.9275 28.4889 17.7112 30.3697 -7.36262 TIMING: 514000 CPU: 1624.68, 0.00312916/step Wall: 1624.68, 0.00312916/step, 3.89928 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: 514000 4002.4856 20539.6963 14516.2981 268.4123 -203361.5943 2545.6143 0.0000 0.0000 52169.2909 -109319.7969 299.8176 -161489.0878 -108950.9771 299.5245 24.8353 47.5533 761523.8522 -0.7132 -0.6946 PRESSURE: 514200 103.555 60.9402 -50.0615 60.9398 -325.349 128.274 -50.0606 128.274 311.535 GPRESSURE: 514200 79.7683 62.2326 -36.7711 2.11844 -244.916 115.415 -103.905 -17.2264 318.934 PRESSAVG: 514200 10.5179 -36.1744 5.28004 -36.1745 -16.9375 8.57874 5.28003 8.57876 16.7589 GPRESSAVG: 514200 10.1814 -37.712 5.23264 -36.0101 -16.256 9.20167 5.93387 7.24645 16.2604 TIMING: 514200 CPU: 1625.31, 0.00314155/step Wall: 1625.31, 0.00314155/step, 3.91455 hours remaining, 232.519531 MB of memory in use. ENERGY: 514200 3994.3219 20348.6974 14555.1457 251.1605 -203417.9557 2673.5284 0.0000 0.0000 52144.9811 -109450.1207 299.6779 -161595.1018 -109083.3511 299.0661 29.9139 51.2622 764473.6105 3.4464 3.3953 PRESSURE: 514400 25.2409 0.0880267 26.5638 0.0885801 -345.421 -277.548 26.5646 -277.548 -313.615 GPRESSURE: 514400 52.2694 62.458 102.935 110.891 -278.973 -275.405 34.6917 -431.9 -310.656 PRESSAVG: 514400 22.5741 37.6438 8.10489 37.6437 -20.2063 3.66761 8.10496 3.66753 17.4473 GPRESSAVG: 514400 22.5674 38.7182 9.26849 39.2153 -20.6215 6.62529 7.69287 4.04713 18.1918 TIMING: 514400 CPU: 1625.94, 0.0031657/step Wall: 1625.94, 0.0031657/step, 3.94447 hours remaining, 232.519531 MB of memory in use. ENERGY: 514400 4005.4341 20381.4974 14493.2310 243.1671 -203053.8115 2645.9962 0.0000 0.0000 52269.9269 -109014.5589 300.3960 -161284.4857 -108651.5481 299.5785 -211.2650 -179.1200 762932.9189 6.6050 6.7126 PRESSURE: 514600 286.542 -79.2765 -41.1202 -79.2762 132.316 137.537 -41.12 137.536 568.777 GPRESSURE: 514600 213.939 -134.491 -87.6595 -55.0843 303.434 96.9958 -108.831 116.728 554.126 PRESSAVG: 514600 -50.9063 -40.9207 -41.5231 -40.9206 4.21569 -11.9505 -41.523 -11.9505 -1.57557 GPRESSAVG: 514600 -50.22 -42.0446 -42.033 -40.8738 3.76001 -13.9353 -40.3729 -12.6535 -1.82353 TIMING: 514600 CPU: 1626.57, 0.00315774/step Wall: 1626.57, 0.00315774/step, 3.93437 hours remaining, 232.519531 MB of memory in use. ENERGY: 514600 3946.9912 20542.7930 14498.6463 252.9273 -203546.4319 3024.7470 0.0000 0.0000 52353.4152 -108926.9119 300.8758 -161280.3271 -108554.2645 299.8506 329.2117 357.1663 761159.8507 -16.0887 -16.0945 PRESSURE: 514800 17.707 -93.2751 -348.494 -93.2748 37.9323 -257.653 -348.494 -257.653 192.113 GPRESSURE: 514800 143.237 -56.3549 -297.624 -83.2552 8.09416 -190.855 -280.086 -299.018 183.842 PRESSAVG: 514800 -55.8654 -44.3252 -1.83222 -44.3252 16.9837 17.3241 -1.8322 17.3241 27.2186 GPRESSAVG: 514800 -57.3848 -42.5757 -0.692936 -44.7466 18.518 17.5098 -3.73974 19.8747 27.6193 TIMING: 514800 CPU: 1627.21, 0.00316669/step Wall: 1627.21, 0.00316669/step, 3.94535 hours remaining, 232.519531 MB of memory in use. ENERGY: 514800 4074.1917 20555.3856 14525.9765 248.0240 -203210.3863 2865.0186 0.0000 0.0000 51910.2182 -109031.5717 298.3287 -160941.7899 -108677.9542 299.6837 82.5841 111.7242 761074.2470 -3.8877 -3.7492 PRESSURE: 515000 128.819 -171.608 -24.2132 -171.608 236.351 0.810341 -24.2129 0.810367 -9.1413 GPRESSURE: 515000 253.022 -245.793 57.6631 -211.632 218.864 -45.3429 -30.5385 18.6898 -42.9019 PRESSAVG: 515000 28.6722 -59.1897 8.14406 -59.1897 -11.4541 3.33608 8.14409 3.3361 7.56133 GPRESSAVG: 515000 30.2935 -61.2994 7.01478 -56.987 -12.9392 3.11382 10.8722 1.70605 7.43487 TIMING: 515000 CPU: 1627.84, 0.0031646/step Wall: 1627.84, 0.0031646/step, 3.94257 hours remaining, 232.519531 MB of memory in use. ENERGY: 515000 3996.1323 20689.3920 14510.1182 229.2354 -203510.7127 2804.2900 0.0000 0.0000 52279.0017 -109002.5432 300.4481 -161281.5448 -108641.6564 300.1533 118.6762 142.9947 761821.5525 8.2598 8.2631 PRESSURE: 515200 -192.939 136.786 65.1084 136.786 99.9335 83.4949 65.1071 83.4953 -449.253 GPRESSURE: 515200 -105.211 21.1197 -26.2836 274.45 39.0024 62.4599 121.359 201.62 -393.318 PRESSAVG: 515200 -14.8487 -40.287 -38.9007 -40.287 26.0512 -48.8372 -38.9007 -48.8372 -7.76308 GPRESSAVG: 515200 -15.0054 -39.1102 -37.5602 -41.1745 26.8772 -48.8705 -39.2988 -47.8418 -7.91863 TIMING: 515200 CPU: 1628.47, 0.0031635/step Wall: 1628.47, 0.0031635/step, 3.94102 hours remaining, 232.519531 MB of memory in use. ENERGY: 515200 3964.0989 20507.8268 14539.4373 238.6921 -203125.9334 2575.2046 0.0000 0.0000 52332.6195 -108968.0543 300.7563 -161300.6738 -108587.1188 300.4251 -180.7527 -153.1753 761572.0458 1.1465 1.3177 PRESSURE: 515400 22.6041 13.6128 -167.976 13.6127 -49.3046 -137.1 -167.975 -137.1 -143.967 GPRESSURE: 515400 132.902 47.4874 -256.134 -12.4548 -56.5082 -111.62 -174.173 -225.914 -180.836 PRESSAVG: 515400 -15.0572 -7.61591 31.0032 -7.61588 31.6303 -49.7577 31.0032 -49.7576 8.40219 GPRESSAVG: 515400 -16.194 -7.90793 30.7746 -10.5122 31.74 -51.2018 28.5815 -49.268 8.74674 TIMING: 515400 CPU: 1629.11, 0.00315772/step Wall: 1629.11, 0.00315772/step, 3.93364 hours remaining, 232.519531 MB of memory in use. ENERGY: 515400 3971.8231 20540.2724 14569.1277 235.2700 -203325.2556 2501.0878 0.0000 0.0000 52201.9371 -109305.7375 300.0053 -161507.6746 -108954.6102 300.2559 -56.8892 -34.8142 761057.7541 8.3251 8.0976 PRESSURE: 515600 -250.759 30.7116 -47.9745 30.7108 -99.377 7.48646 -47.9751 7.48667 -532.411 GPRESSURE: 515600 -198.939 81.0586 -16.871 21.0717 -81.1236 17.5876 -87.2241 20.7649 -502.881 PRESSAVG: 515600 -49.0706 -43.0194 -10.1813 -43.0194 -3.93057 -66.0241 -10.1814 -66.0241 2.38512 GPRESSAVG: 515600 -46.8543 -41.5227 -10.9159 -40.4611 -5.05202 -65.2441 -10.1969 -66.4919 1.63742 TIMING: 515600 CPU: 1629.74, 0.0031525/step Wall: 1629.74, 0.0031525/step, 3.92697 hours remaining, 232.519531 MB of memory in use. ENERGY: 515600 4092.7731 20534.4970 14520.2379 237.4963 -203239.1696 2473.3350 0.0000 0.0000 52204.8552 -109175.9751 300.0220 -161380.8302 -108810.9349 299.9029 -294.1822 -260.9812 760801.7315 -16.8720 -16.7563 PRESSURE: 515800 -296.882 24.0502 -231.515 24.0507 -297.553 110.528 -231.515 110.527 -41.3452 GPRESSURE: 515800 -273.465 42.1058 -244.155 19.0595 -183.453 -8.16263 -187.694 276.308 -81.131 PRESSAVG: 515800 -78.618 -1.67708 33.7895 -1.67715 74.1839 -52.5557 33.7895 -52.5557 -1.57256 GPRESSAVG: 515800 -80.9509 -4.41615 35.1167 -0.00818334 74.7233 -53.5943 34.1809 -53.7327 -0.0337487 TIMING: 515800 CPU: 1630.36, 0.00313788/step Wall: 1630.36, 0.00313788/step, 3.90858 hours remaining, 232.519531 MB of memory in use. ENERGY: 515800 3962.9679 20551.1004 14461.0554 256.5518 -203283.6980 2442.0908 0.0000 0.0000 52378.4930 -109231.4387 301.0199 -161609.9317 -108857.6341 299.9005 -211.9268 -179.3499 760243.5514 -2.0022 -2.0871 PRESSURE: 516000 -100.163 -193.363 -103.66 -193.363 -210.669 12.4446 -103.66 12.4439 -101.072 GPRESSURE: 516000 -107.41 -88.7799 -99.7597 -197.831 -147.391 77.2042 -154.825 -129.083 -71.1211 PRESSAVG: 516000 -43.7716 -16.7007 -40.1807 -16.7007 26.7803 6.60079 -40.1807 6.60085 9.45474 GPRESSAVG: 516000 -43.8703 -12.0271 -40.7357 -18.7189 28.9255 9.75832 -39.2345 7.15219 7.73637 TIMING: 516000 CPU: 1630.99, 0.00315326/step Wall: 1630.99, 0.00315326/step, 3.92756 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: 516000 3948.1694 20689.0680 14451.6859 231.3587 -203331.3524 2542.8735 0.0000 0.0000 52220.5005 -109247.6964 300.1119 -161468.1969 -108879.3509 299.9922 -137.3014 -108.6405 760654.4202 -2.5122 -2.4028 PRESSURE: 516200 -120.098 6.14463 50.559 6.14435 -166.667 -99.3535 50.559 -99.3535 -404.062 GPRESSURE: 516200 -108.399 -45.5342 68.056 -4.42759 -179.329 -160.877 -64.487 26.0524 -294.848 PRESSAVG: 516200 -24.7648 -4.43733 49.5266 -4.43734 -1.32936 -51.4766 49.5266 -51.4767 -25.2723 GPRESSAVG: 516200 -25.5757 -8.55241 50.9671 -3.70798 -3.17572 -52.5267 46.8739 -50.7902 -23.2964 TIMING: 516200 CPU: 1631.62, 0.00314036/step Wall: 1631.62, 0.00314036/step, 3.91131 hours remaining, 232.519531 MB of memory in use. ENERGY: 516200 4094.8143 20472.6483 14508.1595 248.4836 -203288.9466 2609.6929 0.0000 0.0000 52396.2035 -108958.9445 301.1217 -161355.1481 -108593.5583 300.1175 -230.2758 -194.1919 761959.9545 -17.1222 -17.3493 LDB: ============= START OF LOAD BALANCING ============== 1644.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1644.15 LDB: =============== DONE WITH MIGRATION ================ 1644.16 LDB: ============= START OF LOAD BALANCING ============== 1644.47 LDB: Largest compute 7078 load 0.029504 is 15.1% of average load 0.195202 LDB: Average compute 0.004371 is 2.2% of average load 0.195202 LDB: TIME 1644.47 LOAD: AVG 0.195202 MAX 0.21218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 1644.48 LOAD: AVG 0.195202 MAX 0.21218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: TIME 1644.48 LOAD: AVG 0.195202 MAX 0.21218 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: ============== END OF LOAD BALANCING =============== 1644.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1644.48 PRESSURE: 516400 -417.656 49.4391 -189.226 49.439 97.4353 142.436 -189.226 142.436 -84.8299 GPRESSURE: 516400 -346.03 82.8755 -206.77 -46.6732 186.72 55.0598 -57.5468 6.20745 -179.277 PRESSAVG: 516400 -59.1761 -45.7266 -8.13172 -45.7265 13.9086 -91.7159 -8.13178 -91.7159 -3.95657 GPRESSAVG: 516400 -58.5746 -45.0601 -10.3684 -45.0934 14.3614 -92.5432 -7.64791 -91.9404 -5.11475 TIMING: 516400 CPU: 1632.27, 0.00321696/step Wall: 1632.27, 0.00321696/step, 4.00654 hours remaining, 233.859375 MB of memory in use. ENERGY: 516400 4098.6101 20797.7498 14626.0909 241.7213 -203337.1696 2662.2011 0.0000 0.0000 51847.9377 -109062.8587 297.9708 -160910.7964 -108700.8126 300.3552 -135.0170 -112.8625 761571.0220 -16.4080 -16.4426 PRESSURE: 516600 214.802 64.7514 199.358 64.7513 161.403 254.347 199.359 254.346 -5.52015 GPRESSURE: 516600 230.974 44.623 201.381 -7.99276 170.003 204.865 119.672 253.373 29.7491 PRESSAVG: 516600 1.09798 16.4211 -16.5992 16.4211 -24.3912 -56.4346 -16.5992 -56.4346 -10.8333 GPRESSAVG: 516600 1.19648 15.9859 -16.7281 15.2421 -24.4831 -57.2095 -14.6501 -57.0457 -10.597 TIMING: 516600 CPU: 1632.89, 0.00314381/step Wall: 1632.89, 0.00314381/step, 3.91526 hours remaining, 234.000000 MB of memory in use. ENERGY: 516600 4002.2548 20718.4861 14627.5983 252.1112 -203712.1923 2829.0072 0.0000 0.0000 51826.9033 -109455.8315 297.8499 -161282.7348 -109107.8456 299.2044 123.5618 143.5754 759126.5001 -11.3755 -11.2945 PRESSURE: 516800 -83.4144 -94.7159 39.2259 -94.7161 136.48 -119.837 39.226 -119.835 60.3641 GPRESSURE: 516800 -69.884 -208.304 -98.9535 -64.7869 118.462 -164.621 -15.3901 -83.8007 146.419 PRESSAVG: 516800 -25.7267 -17.1647 -22.8107 -17.1647 -8.73244 -32.5122 -22.8107 -32.5122 17.3009 GPRESSAVG: 516800 -25.9008 -17.8972 -22.2672 -15.7772 -8.02907 -32.0208 -21.6082 -31.4452 17.3955 TIMING: 516800 CPU: 1633.53, 0.003171/step Wall: 1633.53, 0.003171/step, 3.94896 hours remaining, 234.000000 MB of memory in use. ENERGY: 516800 3950.3780 20550.1013 14490.5429 267.2459 -203391.4745 2545.8030 0.0000 0.0000 52055.0528 -109532.3505 299.1611 -161587.4034 -109170.0815 299.0702 37.8099 64.9988 760467.0818 -5.7194 -5.5115 PRESSURE: 517000 -157.326 39.4812 -82.24 39.4811 -88.2731 -55.5141 -82.2402 -55.5147 146.267 GPRESSURE: 517000 -155.986 64.4429 -106.253 39.387 -55.1809 -56.202 -88.213 -110.582 179.826 PRESSAVG: 517000 -15.9414 1.14724 -11.0402 1.14726 55.3377 -84.7321 -11.0402 -84.7322 27.2295 GPRESSAVG: 517000 -15.6072 1.46355 -10.4475 0.584855 55.698 -84.2914 -12.5163 -85.6866 26.6875 TIMING: 517000 CPU: 1634.16, 0.00316203/step Wall: 1634.16, 0.00316203/step, 3.93761 hours remaining, 234.203125 MB of memory in use. ENERGY: 517000 3948.7424 20415.0201 14539.7566 226.8960 -203163.0879 2401.8601 0.0000 0.0000 52010.7648 -109620.0479 298.9066 -161630.8126 -109251.7653 298.4815 -33.1108 -10.4468 760733.2973 22.2086 22.2595 PRESSURE: 517200 -86.7556 56.5991 -136.914 56.5996 -132.984 55.3993 -136.915 55.4004 444.576 GPRESSURE: 517200 -28.1592 43.5779 -143.055 25.094 -95.366 -29.824 -230.538 44.273 461.063 PRESSAVG: 517200 17.7242 -16.4752 -13.3896 -16.4753 4.66318 -62.162 -13.3896 -62.162 0.145746 GPRESSAVG: 517200 18.2803 -14.0529 -13.4688 -17.6992 3.47974 -62.4005 -13.226 -64.0174 0.619621 TIMING: 517200 CPU: 1634.79, 0.00314359/step Wall: 1634.79, 0.00314359/step, 3.91447 hours remaining, 234.203125 MB of memory in use. ENERGY: 517200 3956.0432 20743.0106 14512.1786 239.7846 -203439.2606 2561.8860 0.0000 0.0000 51631.5075 -109794.8501 296.7270 -161426.3576 -109431.7370 298.4567 74.9453 112.5127 760831.0985 7.5110 7.4599 PRESSURE: 517400 262.579 -176.652 -69.5928 -176.652 -9.22053 63.4693 -69.5928 63.4709 88.0633 GPRESSURE: 517400 285.658 -143.614 -59.0732 -73.0097 84.5901 51.9807 -34.9234 70.0528 61.501 PRESSAVG: 517400 -4.3301 -12.6004 36.1685 -12.6005 -24.4535 -81.3814 36.1685 -81.3814 -11.7322 GPRESSAVG: 517400 -5.1577 -12.0553 35.4562 -11.2706 -24.3439 -81.4761 34.2517 -81.9827 -10.9592 TIMING: 517400 CPU: 1635.42, 0.00316854/step Wall: 1635.42, 0.00316854/step, 3.94536 hours remaining, 234.203125 MB of memory in use. ENERGY: 517400 3942.8258 20560.8525 14472.7436 253.6137 -203259.0725 2587.0801 0.0000 0.0000 51985.3867 -109456.5700 298.7607 -161441.9567 -109093.7179 298.9920 113.8072 143.9164 761444.6321 -13.5052 -13.4870 PRESSURE: 517600 -2.59509 2.06301 -33.9138 2.06302 -370.855 5.9922 -33.9131 5.99153 -65.7394 GPRESSURE: 517600 13.1195 -100.857 38.6999 63.6844 -329.335 -23.6291 29.4966 132.999 -35.4418 PRESSAVG: 517600 18.6482 -21.73 -7.76697 -21.73 -54.5163 -37.0036 -7.76686 -37.0036 -0.685565 GPRESSAVG: 517600 18.928 -23.1647 -7.28117 -20.9758 -54.1959 -37.5288 -6.63727 -34.2035 -1.67894 TIMING: 517600 CPU: 1636.05, 0.00314544/step Wall: 1636.05, 0.00314544/step, 3.91642 hours remaining, 234.203125 MB of memory in use. ENERGY: 517600 3941.0111 20356.8087 14576.7730 276.1326 -202951.3696 2409.1395 0.0000 0.0000 52053.5578 -109337.9470 299.1525 -161391.5048 -108967.2329 298.9389 -146.3965 -117.2191 762583.3993 -12.1846 -12.3156 PRESSURE: 517800 47.8342 -149.386 71.5873 -149.386 -62.9056 69.7941 71.5881 69.7946 -95.7446 GPRESSURE: 517800 58.7028 -228.21 31.8704 -118.025 13.8916 105.036 134.261 31.6859 -102.76 PRESSAVG: 517800 5.19057 -40.4247 23.9171 -40.4247 -39.2486 -8.71767 23.9171 -8.71766 -8.30586 GPRESSAVG: 517800 5.76509 -39.0185 23.5179 -41.6594 -39.9714 -9.41788 23.192 -8.911 -8.0708 TIMING: 517800 CPU: 1636.69, 0.00317815/step Wall: 1636.69, 0.00317815/step, 3.95698 hours remaining, 234.203125 MB of memory in use. ENERGY: 517800 3968.5773 20560.9000 14584.4454 239.3813 -203717.0491 2919.8297 0.0000 0.0000 52125.4482 -109318.4672 299.5657 -161443.9154 -108955.5739 299.0594 -36.9387 -10.0553 762561.2740 -14.1213 -14.0924 PRESSURE: 518000 -19.9273 22.9729 -3.25351 22.9736 394.829 -171.423 -3.25251 -171.423 -55.7243 GPRESSURE: 518000 32.4795 147.963 -68.2257 154.43 413.316 -93.4904 71.9512 -257.695 -57.5024 PRESSAVG: 518000 42.5689 -13.9864 1.39151 -13.9863 -4.30227 -34.8564 1.39153 -34.8564 -9.89955 GPRESSAVG: 518000 40.4217 -14.4852 1.34121 -14.0984 -3.41609 -32.5737 3.06961 -36.3539 -8.95576 TIMING: 518000 CPU: 1637.32, 0.00314799/step Wall: 1637.32, 0.00314799/step, 3.91924 hours remaining, 234.203125 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: 518000 3942.1459 20650.3023 14478.2884 238.3669 -203283.8045 2658.1668 0.0000 0.0000 52185.0416 -109131.4926 299.9082 -161316.5342 -108773.8063 299.4072 106.3926 129.4312 762680.7742 9.4557 9.3499 PRESSURE: 518200 -240.695 110.587 225.71 110.587 -177.787 141.553 225.71 141.553 -204.576 GPRESSURE: 518200 -172.922 109.774 167.099 55.7014 -140.064 71.2492 173.761 188.886 -223.613 PRESSAVG: 518200 13.9342 2.35862 37.612 2.35858 -1.84857 -48.0981 37.6119 -48.0981 -7.54405 GPRESSAVG: 518200 15.3569 1.99873 38.0539 5.29647 -1.98778 -50.1399 37.6564 -48.1278 -8.98549 TIMING: 518200 CPU: 1637.95, 0.00316706/step Wall: 1637.95, 0.00316706/step, 3.94282 hours remaining, 234.203125 MB of memory in use. ENERGY: 518200 3922.0333 20672.9563 14626.0137 234.2128 -203644.6823 2770.1084 0.0000 0.0000 52227.9959 -109191.3619 300.1550 -161419.3578 -108841.6215 299.6219 -207.6858 -178.8661 764627.7583 1.5138 1.4612 PRESSURE: 518400 -39.6788 -46.057 -9.25139 -46.0559 137.621 21.2205 -9.25132 21.2216 48.0615 GPRESSURE: 518400 -3.41195 -108.329 32.0206 -228.071 180.649 -21.6356 -14.7906 85.3331 48.643 PRESSAVG: 518400 1.19805 -15.3935 13.8271 -15.3935 5.54868 10.4735 13.8271 10.4735 -4.57921 GPRESSAVG: 518400 -0.760488 -17.49 14.4506 -18.3557 7.40758 12.1429 13.6412 12.4495 -4.31555 TIMING: 518400 CPU: 1638.58, 0.00316467/step Wall: 1638.58, 0.00316467/step, 3.93967 hours remaining, 234.203125 MB of memory in use. ENERGY: 518400 4054.6962 20482.4324 14509.2798 241.1421 -203251.7752 2827.5857 0.0000 0.0000 51935.4435 -109201.1955 298.4737 -161136.6390 -108845.6502 299.6741 48.6680 75.2934 762279.2594 0.7225 0.7772 PRESSURE: 518600 43.3421 275.204 -193.744 275.204 185.233 -243.987 -193.745 -243.986 139.483 GPRESSURE: 518600 89.4875 293.05 -189.425 180.642 148.892 -273.794 -244.484 -247.975 210.297 PRESSAVG: 518600 -20.6432 7.35878 21.5373 7.35874 61.2669 63.7193 21.5373 63.7193 26.8445 GPRESSAVG: 518600 -19.2333 9.06882 21.3815 6.6376 60.3632 63.9609 20.1527 60.1305 26.5135 TIMING: 518600 CPU: 1639.21, 0.00315237/step Wall: 1639.21, 0.00315237/step, 3.92418 hours remaining, 234.203125 MB of memory in use. ENERGY: 518600 4010.9481 20658.5429 14517.1318 262.7657 -203576.8742 2810.1686 0.0000 0.0000 52167.3906 -109149.9266 299.8067 -161317.3172 -108785.2888 299.7921 122.6858 149.5587 761809.7986 22.4894 22.5478 PRESSURE: 518800 -63.7006 257.606 -131.536 257.606 82.731 -74.3318 -131.537 -74.3315 -67.7205 GPRESSURE: 518800 75.5753 93.3182 -109.895 199.595 30.1114 -91.2095 -135.314 96.4087 -55.0085 PRESSAVG: 518800 -47.751 55.0179 27.5819 55.0179 41.0164 -33.1772 27.5819 -33.1772 11.0519 GPRESSAVG: 518800 -47.9683 51.2171 27.2292 57.9369 40.4831 -34.0397 28.5568 -29.2882 11.9133 TIMING: 518800 CPU: 1639.84, 0.00315056/step Wall: 1639.84, 0.00315056/step, 3.92175 hours remaining, 234.203125 MB of memory in use. ENERGY: 518800 4063.6370 20445.1343 14508.2715 247.8910 -202753.7085 2295.5151 0.0000 0.0000 51992.0132 -109201.2462 298.7988 -161193.2594 -108842.8116 299.5305 -16.2300 16.8927 761400.6767 1.4391 1.4761 PRESSURE: 519000 472.028 -7.07451 35.3113 -7.0746 211.573 135.589 35.3101 135.59 192.7 GPRESSURE: 519000 492.099 32.6474 73.2662 -62.2051 258.649 171.967 37.5185 103.943 208.12 PRESSAVG: 519000 30.3497 8.00189 -15.2123 8.00191 26.3366 58.4888 -15.2123 58.4889 -3.3896 GPRESSAVG: 519000 30.1745 11.8401 -15.4024 5.22968 26.2906 59.607 -13.2723 57.4143 -3.84987 TIMING: 519000 CPU: 1640.47, 0.00314903/step Wall: 1640.47, 0.00314903/step, 3.91966 hours remaining, 234.203125 MB of memory in use. ENERGY: 519000 4063.7286 20593.9527 14394.5206 245.9316 -203605.8552 2837.9692 0.0000 0.0000 51936.0661 -109533.6864 298.4773 -161469.7525 -109174.1505 299.1232 292.1002 319.6229 760856.4551 17.7656 17.5384 PRESSURE: 519200 -175.256 -25.0328 -74.4477 -25.0319 120.997 -129.981 -74.4474 -129.982 120.898 GPRESSURE: 519200 -29.1646 -67.3508 4.69121 -144.533 101.692 -213.443 -12.8309 -216.007 63.2876 PRESSAVG: 519200 -15.0276 -9.56427 17.7534 -9.56425 30.0801 43.1028 17.7534 43.1028 29.0801 GPRESSAVG: 519200 -16.2066 -9.82192 20.0831 -10.1094 30.9563 43.442 15.8532 40.2832 29.4008 TIMING: 519200 CPU: 1641.11, 0.00315656/step Wall: 1641.11, 0.00315656/step, 3.92887 hours remaining, 234.203125 MB of memory in use. ENERGY: 519200 4132.8387 20708.2266 14427.2163 228.5485 -203599.7199 2718.9965 0.0000 0.0000 51945.8766 -109438.0168 298.5337 -161383.8934 -109076.5683 299.1516 22.2129 45.2715 762498.4272 14.7109 14.7168 PRESSURE: 519400 -138.163 133.537 -27.7719 133.537 -111.598 -78.4965 -27.7728 -78.4962 -325.195 GPRESSURE: 519400 -113.158 136.677 -16.8559 149.343 -110.409 -60.9261 -175.472 94.2215 -279.654 PRESSAVG: 519400 -49.9518 25.5174 -7.26917 25.5175 1.64209 -20.3505 -7.26917 -20.3505 -5.86716 GPRESSAVG: 519400 -49.2815 23.5897 -8.68488 27.9676 0.370796 -20.6449 -7.32638 -17.5378 -4.8266 TIMING: 519400 CPU: 1641.74, 0.0031627/step Wall: 1641.74, 0.0031627/step, 3.93633 hours remaining, 234.203125 MB of memory in use. ENERGY: 519400 3966.1440 20449.1791 14532.3763 238.9094 -203177.4306 2389.4052 0.0000 0.0000 52345.3354 -109256.0812 300.8294 -161601.4166 -108887.2471 299.4737 -191.6523 -167.7406 762915.1176 -18.0590 -17.9124 PRESSURE: 519600 135.522 47.4024 -272.084 47.4021 201.345 -259.761 -272.085 -259.761 -38.9017 GPRESSURE: 519600 79.3074 61.0055 -220.557 -71.9619 266.578 -279.927 -127.818 -303.291 42.4829 PRESSAVG: 519600 -18.4983 73.4337 -43.5095 73.4337 63.575 6.95897 -43.5095 6.959 -18.9354 GPRESSAVG: 519600 -17.8826 76.3041 -43.8998 72.3491 64.5163 8.28309 -42.7421 7.53017 -20.4176 TIMING: 519600 CPU: 1642.37, 0.0031521/step Wall: 1642.37, 0.0031521/step, 3.92297 hours remaining, 234.203125 MB of memory in use. ENERGY: 519600 4071.9361 20516.2462 14528.9969 261.7933 -203282.3073 2744.0776 0.0000 0.0000 52021.4347 -109137.8225 298.9679 -161159.2572 -108775.2787 299.5554 99.3220 129.4562 760920.2360 8.7137 8.7387 PRESSURE: 519800 158.431 121.219 31.443 121.219 -1.94718 -41.1709 31.4421 -41.1726 291.786 GPRESSURE: 519800 256.998 166.048 12.5662 41.335 52.6226 70.4746 68.0962 -2.38364 236.258 PRESSAVG: 519800 4.67814 52.2605 26.5583 52.2604 -25.4548 57.2985 26.5583 57.2984 19.2723 GPRESSAVG: 519800 4.76731 51.7202 25.4736 50.5321 -25.6467 54.3713 25.2859 57.291 19.323 TIMING: 519800 CPU: 1643, 0.00314214/step Wall: 1643, 0.00314214/step, 3.9104 hours remaining, 234.203125 MB of memory in use. ENERGY: 519800 4036.0819 20505.3232 14443.5955 242.7510 -203043.1872 2611.2898 0.0000 0.0000 51931.1889 -109272.9569 298.4493 -161204.1458 -108923.4182 298.9449 149.4232 181.9593 760700.4771 -0.5014 -0.5188 PRESSURE: 520000 -303.768 76.7117 -53.8309 76.7122 166.849 8.59709 -53.8301 8.59746 -260.645 GPRESSURE: 520000 -230.92 161.489 -21.232 -1.71894 162.425 -29.5111 -164.61 -63.4274 -224.493 PRESSAVG: 520000 -91.7449 -6.38464 0.816796 -6.38468 73.9508 8.42577 0.816789 8.42579 -0.678239 GPRESSAVG: 520000 -91.1086 -7.5775 -0.0621121 -3.12442 73.0098 10.2804 2.11452 4.37355 -0.422895 TIMING: 520000 CPU: 1643.63, 0.00316581/step Wall: 1643.63, 0.00316581/step, 3.93968 hours remaining, 234.203125 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: 520000 4013.1826 20480.6372 14467.8447 243.5051 -203108.6224 2467.4514 0.0000 0.0000 52253.7901 -109182.2112 300.3033 -161436.0013 -108820.1648 299.4797 -132.5213 -97.6626 762391.3810 -6.1574 -6.1739 PRESSURE: 520200 -109.529 200.047 -4.30831 200.047 -252.504 75.5585 -4.30858 75.5582 1.11564 GPRESSURE: 520200 -132.774 230.432 31.9986 154.547 -148.88 239.307 -27.2012 52.8208 -12.441 PRESSAVG: 520200 24.1986 44.1517 1.20817 44.1517 -7.75609 28.2862 1.20819 28.2862 -4.71393 GPRESSAVG: 520200 22.588 44.0491 2.9566 41.1335 -6.52645 29.0352 1.16406 28.9372 -4.32318 TIMING: 520200 CPU: 1644.26, 0.00315982/step Wall: 1644.26, 0.00315982/step, 3.93205 hours remaining, 234.203125 MB of memory in use. ENERGY: 520200 3972.2847 20628.7003 14496.2270 240.1297 -203637.7658 2821.2875 0.0000 0.0000 52165.9876 -109313.1491 299.7986 -161479.1367 -108950.6177 299.2114 -120.3058 -98.0316 762299.8836 3.9095 3.9128 LDB: ============= START OF LOAD BALANCING ============== 1656.8 LDB: ============== END OF LOAD BALANCING =============== 1656.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1656.8 LDB: ============= START OF LOAD BALANCING ============== 1657.12 LDB: Largest compute 7068 load 0.031150 is 16.0% of average load 0.195211 LDB: Average compute 0.004392 is 2.2% of average load 0.195211 LDB: TIME 1657.12 LOAD: AVG 0.195211 MAX 0.211409 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1657.12 LOAD: AVG 0.195211 MAX 0.211409 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.961 MB LDB: TIME 1657.12 LOAD: AVG 0.195211 MAX 0.211409 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.961 MB LDB: ============== END OF LOAD BALANCING =============== 1657.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1657.13 PRESSURE: 520400 88.7216 -73.4972 -251.017 -73.4982 -210.172 -106.366 -251.017 -106.366 18.7301 GPRESSURE: 520400 21.7394 14.6649 -229.91 41.3848 -127.586 -105.647 -291.274 -27.3761 84.5057 PRESSAVG: 520400 -6.33578 44.7807 11.7328 44.7806 -6.00383 -1.54057 11.7328 -1.54052 -5.89224 GPRESSAVG: 520400 -6.55898 45.8509 11.945 46.2041 -6.03954 -3.41589 11.6225 0.970983 -5.87276 TIMING: 520400 CPU: 1644.91, 0.00323511/step Wall: 1644.91, 0.00323511/step, 4.02556 hours remaining, 232.152344 MB of memory in use. ENERGY: 520400 4062.2801 20633.6914 14479.6547 245.5242 -203382.7786 2538.7023 0.0000 0.0000 52082.0014 -109340.9246 299.3160 -161422.9260 -108981.0543 299.0365 -34.2401 -7.1135 760502.3724 -6.0773 -6.1571 PRESSURE: 520600 116.073 3.04628 326.218 3.0467 -75.9515 -254.233 326.22 -254.234 -429.616 GPRESSURE: 520600 203.593 -41.362 358.258 54.054 -108.815 -217.191 197.054 -381.772 -388.302 PRESSAVG: 520600 -5.16986 45.1458 -20.9763 45.1458 20.0023 -42.9218 -20.9763 -42.9218 9.61561 GPRESSAVG: 520600 -4.63776 44.921 -21.5949 45.2959 19.5028 -41.6145 -22.4427 -43.1354 9.32639 TIMING: 520600 CPU: 1645.54, 0.00315402/step Wall: 1645.54, 0.00315402/step, 3.92448 hours remaining, 232.355469 MB of memory in use. ENERGY: 520600 3957.8204 20583.1345 14437.4565 251.2175 -203056.8277 2479.3737 0.0000 0.0000 51927.5685 -109420.2566 298.4284 -161347.8251 -109050.6697 298.9247 -129.8313 -97.8416 761406.3491 8.1494 8.0638 PRESSURE: 520800 -177.949 39.5733 -25.6345 39.5735 31.6832 -41.6811 -25.6355 -41.6826 156.112 GPRESSURE: 520800 -123.434 62.7844 -51.343 73.6103 65.1493 9.06802 -43.773 -36.5236 153.202 PRESSAVG: 520800 -7.81863 64.5216 -15.0374 64.5215 -13.1868 -12.8985 -15.0374 -12.8986 -0.758865 GPRESSAVG: 520800 -7.57992 66.1019 -14.9573 64.0257 -13.994 -13.0555 -17.0172 -10.9422 -0.408459 TIMING: 520800 CPU: 1646.17, 0.00315278/step Wall: 1646.17, 0.00315278/step, 3.92276 hours remaining, 232.355469 MB of memory in use. ENERGY: 520800 4006.0614 20454.0933 14502.2311 263.0501 -203314.4933 2691.8923 0.0000 0.0000 52148.6933 -109248.4717 299.6993 -161397.1650 -108887.1643 298.8737 3.2821 31.6390 762231.4164 -7.2548 -7.3275 PRESSURE: 521000 5.63687 -2.67764 45.5083 -2.67712 -230.967 -121.71 45.5083 -121.71 -137.903 GPRESSURE: 521000 42.5967 -40.2222 84.1081 2.55574 -188.709 -110.469 114.214 -124.289 -145.081 PRESSAVG: 521000 30.2096 44.3809 14.6836 44.381 -1.89681 -24.6229 14.6836 -24.6229 -0.367539 GPRESSAVG: 521000 29.8941 45.0448 14.4575 43.7465 -0.914059 -25.1776 18.6779 -27.0639 -1.08506 TIMING: 521000 CPU: 1646.8, 0.00313826/step Wall: 1646.8, 0.00313826/step, 3.90451 hours remaining, 232.355469 MB of memory in use. ENERGY: 521000 4041.4460 20580.9682 14546.2284 231.0117 -202992.1311 2406.9115 0.0000 0.0000 51873.6778 -109311.8875 298.1187 -161185.5653 -108957.3362 299.1289 -121.0775 -97.0646 762062.1325 9.3151 9.2983 PRESSURE: 521200 316.39 24.7828 -132.589 24.7825 40.8718 -284.747 -132.589 -284.747 7.95148 GPRESSURE: 521200 266.462 3.1963 -72.935 -18.2765 98.9707 -279.227 -71.5964 -261.489 67.0612 PRESSAVG: 521200 34.6094 -13.1776 -5.60351 -13.1775 -63.6799 12.0164 -5.60345 12.0164 -16.4381 GPRESSAVG: 521200 33.8818 -16.4575 -5.31598 -12.1284 -62.578 14.2685 -6.07621 11.4673 -16.8738 TIMING: 521200 CPU: 1647.43, 0.00313497/step Wall: 1647.43, 0.00313497/step, 3.90025 hours remaining, 232.355469 MB of memory in use. ENERGY: 521200 3904.1302 20567.5665 14594.2680 238.3164 -203457.4443 2769.2939 0.0000 0.0000 52105.0041 -109278.8653 299.4482 -161383.8694 -108923.4658 299.2998 121.7378 144.1648 762526.3572 -15.1695 -15.1900 PRESSURE: 521400 209.952 -38.1073 10.5599 -38.1061 135.308 123.063 10.5608 123.064 180.94 GPRESSURE: 521400 269.015 -112.524 37.2168 71.7101 126.717 45.1079 -45.0824 130.112 204.53 PRESSAVG: 521400 63.2693 45.3155 10.5769 45.3155 -39.2109 -56.7806 10.5769 -56.7807 5.20697 GPRESSAVG: 521400 64.51 46.7654 10.8379 45.9474 -39.924 -59.6145 8.08779 -55.2529 5.52066 TIMING: 521400 CPU: 1648.05, 0.00313847/step Wall: 1648.05, 0.00313847/step, 3.90443 hours remaining, 232.355469 MB of memory in use. ENERGY: 521400 3964.6986 20545.1512 14548.9192 249.8044 -203124.9666 2619.0126 0.0000 0.0000 52073.7560 -109123.6246 299.2686 -161197.3806 -108758.1477 299.2200 175.4000 200.0874 761924.0713 9.7551 10.0356 PRESSURE: 521600 -3.57156 -57.4008 -146.746 -57.4006 351.81 172.459 -146.746 172.459 2.22409 GPRESSURE: 521600 93.7631 -162.84 -130.13 -44.4435 329.678 172.038 -192.204 142.541 10.8659 PRESSAVG: 521600 -8.14109 20.3388 -22.6771 20.3388 -6.23647 -5.98947 -22.6772 -5.98955 9.83036 GPRESSAVG: 521600 -8.8879 21.3444 -23.0689 20.0243 -5.33745 -4.58553 -21.6404 -7.17335 9.51973 TIMING: 521600 CPU: 1648.69, 0.00316067/step Wall: 1648.69, 0.00316067/step, 3.93188 hours remaining, 232.355469 MB of memory in use. ENERGY: 521600 4045.3385 20442.0305 14500.5418 258.0313 -203260.9984 2901.9025 0.0000 0.0000 52022.0551 -109091.0988 298.9715 -161113.1539 -108731.2450 299.1190 116.8210 144.7690 762570.1621 -1.5157 -1.5685 PRESSURE: 521800 -36.225 13.4628 -112.284 13.4631 136.957 -102.526 -112.284 -102.526 -43.7391 GPRESSURE: 521800 -17.194 57.64 -27.1094 77.8615 96.9157 -190.898 -110.97 -52.1151 39.4058 PRESSAVG: 521800 -46.0768 40.3944 2.11446 40.3944 57.3251 6.21219 2.11447 6.21212 -6.02465 GPRESSAVG: 521800 -44.9164 37.3803 1.08038 40.3954 55.7743 7.68303 2.19208 5.67852 -5.90245 TIMING: 521800 CPU: 1649.32, 0.00317907/step Wall: 1649.32, 0.00317907/step, 3.95459 hours remaining, 232.355469 MB of memory in use. ENERGY: 521800 3996.2803 20661.8895 14485.0397 241.8520 -203520.4898 2637.9322 0.0000 0.0000 52020.2132 -109477.2829 298.9609 -161497.4961 -109114.4844 299.2572 18.9975 39.7092 760614.9078 1.7412 1.6518 PRESSURE: 522000 203.966 16.3987 58.5265 16.3998 52.6554 -21.6853 58.5273 -21.6858 -13.8564 GPRESSURE: 522000 208.225 80.6677 67.4202 28.3245 50.9669 34.058 102.013 89.2926 56.6839 PRESSAVG: 522000 -21.8858 35.0888 -0.719002 35.0888 -10.8001 -40.6249 -0.719012 -40.6248 10.2523 GPRESSAVG: 522000 -22.8502 36.6827 2.12065 37.2211 -11.8676 -42.4994 -1.66163 -36.469 11.1745 TIMING: 522000 CPU: 1649.95, 0.0031612/step Wall: 1649.95, 0.0031612/step, 3.93218 hours remaining, 232.355469 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: 522000 3920.4844 20459.6502 14415.7184 229.9482 -203206.3263 2655.3113 0.0000 0.0000 51872.4972 -109652.7166 298.1120 -161525.2138 -109294.8892 298.4388 80.9215 105.2920 761493.2625 -7.4779 -7.8478 PRESSURE: 522200 -219.292 249.292 -136.985 249.292 -126.271 231.063 -136.986 231.062 -103.232 GPRESSURE: 522200 -185.33 195.588 -105.376 261.873 -74.1998 131.016 -92.3746 195.603 -111.02 PRESSAVG: 522200 -6.09897 50.0984 -29.0857 50.0985 18.722 16.2854 -29.0858 16.2854 -5.40962 GPRESSAVG: 522200 -5.33324 50.0763 -31.2658 48.6684 19.3155 17.0943 -27.7767 14.0449 -6.52424 TIMING: 522200 CPU: 1650.58, 0.00313539/step Wall: 1650.58, 0.00313539/step, 3.89991 hours remaining, 232.355469 MB of memory in use. ENERGY: 522200 3956.4443 20367.0690 14479.8188 243.4312 -202987.9624 2334.4280 0.0000 0.0000 51805.7497 -109801.0214 297.7284 -161606.7711 -109442.2709 297.6805 -149.5985 -123.5168 761350.3964 2.4045 2.4860 PRESSURE: 522400 43.4067 -137.846 -231.454 -137.846 -13.1803 171.181 -231.454 171.181 -19.6145 GPRESSURE: 522400 -25.2559 -123.68 -235.639 18.5201 99.7633 64.0354 -177.493 179.576 -4.24454 PRESSAVG: 522400 13.5439 86.1937 12.6099 86.1936 10.1123 -36.4449 12.6099 -36.4448 -4.61603 GPRESSAVG: 522400 11.6859 85.7198 15.7969 83.9112 10.7886 -35.9201 10.9045 -36.8407 -3.64281 TIMING: 522400 CPU: 1651.21, 0.00315227/step Wall: 1651.21, 0.00315228/step, 3.92073 hours remaining, 232.355469 MB of memory in use. ENERGY: 522400 3952.3555 20390.6895 14538.9803 268.8668 -203311.0947 2710.5406 0.0000 0.0000 51780.9388 -109668.7232 297.5858 -161449.6620 -109310.1792 297.8414 3.5373 23.4209 761188.0608 6.3467 6.2772 PRESSURE: 522600 -563.415 -115.415 -131.92 -115.415 94.8123 146.46 -131.92 146.46 115.72 GPRESSURE: 522600 -454.836 -84.1612 -103.62 -84.1541 169.785 153.742 -263.997 219.569 13.226 PRESSAVG: 522600 -53.8535 -40.0324 -30.5893 -40.0324 35.3716 -47.975 -30.5893 -47.975 26.9295 GPRESSAVG: 522600 -53.0988 -38.754 -33.9154 -38.6282 36.2281 -50.5455 -27.9889 -48.0112 25.2163 TIMING: 522600 CPU: 1651.84, 0.00313881/step Wall: 1651.84, 0.00313881/step, 3.9038 hours remaining, 232.355469 MB of memory in use. ENERGY: 522600 3951.8177 20307.2004 14629.9176 239.8437 -203764.0465 2914.8513 0.0000 0.0000 51902.3346 -109818.0811 298.2834 -161720.4157 -109467.3362 298.3063 -117.6277 -90.6084 760124.1944 2.8159 2.7819 PRESSURE: 522800 184.832 85.5676 209.835 85.5675 31.72 -408.557 209.835 -408.558 222.515 GPRESSURE: 522800 238.935 33.3272 69.1504 83.049 55.5251 -483.218 173.07 -375.18 233.919 PRESSAVG: 522800 -19.9505 -66.8828 -35.7557 -66.8828 73.5506 -30.0973 -35.7557 -30.0973 -3.14987 GPRESSAVG: 522800 -19.4002 -68.5906 -33.25 -67.6174 72.8611 -27.738 -37.894 -29.3192 -2.70577 TIMING: 522800 CPU: 1652.46, 0.00313124/step Wall: 1652.46, 0.00313124/step, 3.89422 hours remaining, 232.355469 MB of memory in use. ENERGY: 522800 4024.7078 20357.6416 14484.9338 240.1366 -203352.1423 2599.2884 0.0000 0.0000 51769.2755 -109876.1586 297.5187 -161645.4341 -109514.1814 298.5115 146.3556 176.1265 760165.9912 16.8167 16.9184 PRESSURE: 523000 -91.7989 -129.535 33.2229 -129.535 66.6942 -109.739 33.2231 -109.74 331.722 GPRESSURE: 523000 -40.0445 -78.9752 47.8975 -194.699 55.3234 -154.1 -20.1128 -215.346 378.586 PRESSAVG: 523000 -64.6752 -5.9454 26.455 -5.94539 89.4994 -65.5556 26.455 -65.5556 11.2861 GPRESSAVG: 523000 -64.0424 -4.48434 25.7838 -5.24847 89.018 -64.4292 28.725 -67.686 11.2646 TIMING: 523000 CPU: 1653.1, 0.00315418/step Wall: 1653.1, 0.00315418/step, 3.92257 hours remaining, 232.355469 MB of memory in use. ENERGY: 523000 3976.4012 20446.7241 14489.7440 263.6870 -203297.0686 2316.7712 0.0000 0.0000 52015.2718 -109788.4695 298.9325 -161803.7413 -109428.0217 298.4164 102.2059 131.2884 760635.1561 12.0368 12.0801 PRESSURE: 523200 -133.916 39.4959 -173.24 39.4962 -368.484 -64.069 -173.24 -64.0691 115.493 GPRESSURE: 523200 -188.966 29.9372 -193.87 -131.66 -319.254 -54.0105 -38.0869 41.5818 195.187 PRESSAVG: 523200 1.74153 -18.1511 5.70974 -18.1511 31.4048 -19.1826 5.7098 -19.1826 4.50783 GPRESSAVG: 523200 1.097 -17.6735 6.84328 -19.1411 32.2605 -19.2015 3.84939 -16.8231 5.06994 TIMING: 523200 CPU: 1653.73, 0.00315182/step Wall: 1653.73, 0.00315182/step, 3.91947 hours remaining, 232.355469 MB of memory in use. ENERGY: 523200 4041.5341 20489.2834 14510.0867 259.6047 -203545.4076 2639.2044 0.0000 0.0000 51971.8999 -109633.7944 298.6832 -161605.6943 -109270.7305 298.5908 -128.9689 -104.3442 761585.7251 12.5514 12.8091 PRESSURE: 523400 -65.5996 -226.642 -4.66256 -226.642 41.0438 -93.6656 -4.66223 -93.6655 115.179 GPRESSURE: 523400 -60.2886 -176.115 19.932 -152.074 165.416 -48.4173 44.6521 -42.704 92.9297 PRESSAVG: 523400 -44.3891 0.965478 -9.90213 0.965459 33.4195 -3.12098 -9.90206 -3.12098 -4.39007 GPRESSAVG: 523400 -44.5126 -0.668027 -10.7006 3.2578 33.4247 -4.83956 -7.32507 -4.53571 -4.6326 TIMING: 523400 CPU: 1654.36, 0.00316155/step Wall: 1654.36, 0.00316155/step, 3.93138 hours remaining, 232.355469 MB of memory in use. ENERGY: 523400 4003.2294 20531.3768 14442.9219 260.2329 -203448.2104 2648.9688 0.0000 0.0000 51939.4802 -109622.0003 298.4969 -161561.4806 -109259.4891 298.6107 30.2079 66.0191 760582.3316 -5.1199 -5.2402 PRESSURE: 523600 -189.818 73.8145 24.0494 73.8141 -237.46 -236.074 24.0495 -236.076 -155.64 GPRESSURE: 523600 -244.912 -54.1078 97.2677 98.2064 -204.412 -191.609 -36.3742 -242.058 -43.0609 PRESSAVG: 523600 -87.242 15.3616 -55.2938 15.3616 82.5362 4.70161 -55.2938 4.7016 -12.1062 GPRESSAVG: 523600 -87.6909 15.6413 -53.8975 17.1497 83.2911 5.16755 -56.9012 4.0483 -12.3742 TIMING: 523600 CPU: 1654.99, 0.00316112/step Wall: 1654.99, 0.00316112/step, 3.93068 hours remaining, 232.355469 MB of memory in use. ENERGY: 523600 3938.3407 20377.2802 14505.8331 246.4599 -203276.7093 2470.7889 0.0000 0.0000 52154.7213 -109583.2852 299.7339 -161738.0065 -109217.7740 298.6743 -194.3064 -164.1283 761048.1822 -5.6040 -5.5914 PRESSURE: 523800 4.39229 -131.608 27.2721 -131.608 240.832 260.336 27.2716 260.335 224.794 GPRESSURE: 523800 -39.4904 -66.1087 122.586 -167.663 345.922 249.539 71.8346 157.111 242.897 PRESSAVG: 523800 -66.818 14.5564 -34.2073 14.5564 71.3692 24.0204 -34.2072 24.0204 -17.7013 GPRESSAVG: 523800 -65.3469 16.1214 -35.8518 10.346 70.607 25.0724 -36.6393 24.8068 -18.1605 TIMING: 523800 CPU: 1655.62, 0.00316003/step Wall: 1655.62, 0.00316003/step, 3.92915 hours remaining, 232.355469 MB of memory in use. ENERGY: 523800 3979.1537 20360.4106 14550.4623 252.0624 -203206.1314 2864.5195 0.0000 0.0000 51843.5849 -109355.9381 297.9458 -161199.5229 -108992.9600 298.8207 156.6727 183.1097 760773.5546 -4.3834 -4.3001 PRESSURE: 524000 137.82 73.7726 138.168 73.7728 -128.298 -6.06877 138.169 -6.0688 94.7614 GPRESSURE: 524000 107.825 69.8854 149.382 138.676 8.2005 -79.7069 116.219 -73.7626 71.6728 PRESSAVG: 524000 -43.752 -5.5658 4.88423 -5.56573 20.4963 39.0872 4.88429 39.0872 14.5431 GPRESSAVG: 524000 -44.2172 -7.66194 4.12607 -3.40774 20.7869 39.3901 6.12378 39.1038 14.3241 TIMING: 524000 CPU: 1656.25, 0.00315451/step Wall: 1656.25, 0.00315451/step, 3.92211 hours remaining, 232.355469 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: 524000 3979.4971 20515.7723 14447.3443 229.4584 -203498.9955 2918.0442 0.0000 0.0000 52020.0991 -109388.7803 298.9602 -161408.8794 -109029.3728 299.0916 34.7614 62.5662 762320.7788 -2.9042 -3.0354 PRESSURE: 524200 233.844 -113.4 -195.436 -113.4 181.141 -216.88 -195.436 -216.88 213.123 GPRESSURE: 524200 225.364 -186.299 -101.143 -55.5152 194.364 -199.51 -159.032 -162.935 290.776 PRESSAVG: 524200 -45.278 -28.0965 -20.4691 -28.0965 59.3138 4.69301 -20.4691 4.693 19.4572 GPRESSAVG: 524200 -45.0547 -28.4629 -21.7327 -29.1846 58.4905 3.33049 -18.3847 3.39214 20.6347 TIMING: 524200 CPU: 1656.89, 0.00316236/step Wall: 1656.89, 0.00316236/step, 3.93169 hours remaining, 232.355469 MB of memory in use. ENERGY: 524200 4021.7877 20556.4168 14553.0855 255.0347 -203587.2473 2935.4285 0.0000 0.0000 51805.2609 -109460.2332 297.7255 -161265.4941 -109097.4084 298.7676 209.3692 236.8348 760697.7222 11.1643 11.3569 LDB: ============= START OF LOAD BALANCING ============== 1669.42 LDB: ============== END OF LOAD BALANCING =============== 1669.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1669.42 LDB: ============= START OF LOAD BALANCING ============== 1669.74 LDB: Largest compute 7068 load 0.031224 is 16.0% of average load 0.195178 LDB: Average compute 0.004373 is 2.2% of average load 0.195178 LDB: TIME 1669.74 LOAD: AVG 0.195178 MAX 0.213088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.191 MB LDB: TIME 1669.74 LOAD: AVG 0.195178 MAX 0.213088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.191 MB LDB: TIME 1669.74 LOAD: AVG 0.195178 MAX 0.213088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.191 MB LDB: ============== END OF LOAD BALANCING =============== 1669.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1669.75 PRESSURE: 524400 -44.3408 35.4569 35.9033 35.4562 24.0727 190.786 35.9026 190.786 110.337 GPRESSURE: 524400 -30.3768 12.6637 -60.6047 -32.1734 101.065 148.701 -75.7417 203.563 130.168 PRESSAVG: 524400 27.276 24.7722 -24.8782 24.7721 -2.04345 8.6178 -24.8782 8.61781 6.92068 GPRESSAVG: 524400 28.354 25.3497 -24.6263 23.2258 -1.52132 8.79679 -24.6763 10.7964 5.66902 TIMING: 524400 CPU: 1657.53, 0.00321826/step Wall: 1657.53, 0.00321826/step, 4.00101 hours remaining, 233.238281 MB of memory in use. ENERGY: 524400 3924.4228 20422.9891 14479.6607 270.9130 -203485.3010 2796.6471 0.0000 0.0000 52018.5056 -109572.1628 298.9511 -161590.6684 -109210.8068 298.8432 30.0231 66.9519 763095.9442 10.7178 10.8339 PRESSURE: 524600 167.764 30.4697 289.665 30.4693 -92.3047 97.0595 289.665 97.0597 -174.576 GPRESSURE: 524600 105.12 -13.3505 275.95 25.9108 -87.2562 84.3385 129.762 43.6708 -59.862 PRESSAVG: 524600 -1.30662 8.21633 -5.23661 8.21628 -10.7664 -7.84414 -5.23659 -7.84415 3.33491 GPRESSAVG: 524600 -1.37323 7.76779 -4.42565 8.91471 -11.2521 -7.15064 -7.09652 -7.69098 3.55222 TIMING: 524600 CPU: 1658.16, 0.0031452/step Wall: 1658.16, 0.00314519/step, 3.91 hours remaining, 233.347656 MB of memory in use. ENERGY: 524600 3989.1907 20533.7458 14465.3161 253.1428 -203286.3319 2486.6777 0.0000 0.0000 51930.8471 -109627.4116 298.4473 -161558.2588 -109277.0946 298.2341 -33.0387 -13.9994 759991.5689 -2.9127 -3.0244 PRESSURE: 524800 -158.041 51.2446 -106.275 51.2453 -133.009 91.6206 -106.275 91.6221 71.7025 GPRESSURE: 524800 -53.6069 96.3164 -154.912 44.5401 -247.752 36.7293 -121.729 -21.2633 153.977 PRESSAVG: 524800 6.14228 10.8374 -4.86829 10.8374 9.64769 -27.5111 -4.86829 -27.5111 -9.25849 GPRESSAVG: 524800 4.96868 11.6008 -3.436 11.5386 9.87121 -27.6628 -4.6193 -28.0938 -8.40845 TIMING: 524800 CPU: 1658.79, 0.00314947/step Wall: 1658.79, 0.00314947/step, 3.91515 hours remaining, 233.347656 MB of memory in use. ENERGY: 524800 3938.7745 20381.8207 14531.0201 248.9234 -203329.4693 2510.0570 0.0000 0.0000 51977.9209 -109740.9528 298.7178 -161718.8737 -109368.1846 298.5781 -73.1159 -49.1270 761076.1537 2.1772 2.1438 PRESSURE: 525000 -290.186 246.369 144.333 246.369 28.8089 2.67861 144.333 2.67776 -309.973 GPRESSURE: 525000 -320.261 103.145 259.652 248.742 113.206 -3.60847 246.378 -13.7213 -261.881 PRESSAVG: 525000 18.0681 35.3555 21.2959 35.3555 7.91396 18.2375 21.2959 18.2375 11.8411 GPRESSAVG: 525000 18.1777 36.7066 20.1153 33.3999 7.81333 17.4257 20.7461 17.0001 12.2894 TIMING: 525000 CPU: 1659.42, 0.00315504/step Wall: 1659.42, 0.00315504/step, 3.92189 hours remaining, 233.347656 MB of memory in use. ENERGY: 525000 3980.8140 20630.9701 14534.0396 241.9981 -203284.2331 2201.0520 0.0000 0.0000 51982.3965 -109712.9628 298.7435 -161695.3593 -109343.9671 298.0448 -190.4500 -156.3122 761006.7533 12.6077 12.7601 PRESSURE: 525200 -423.768 229.64 -111.998 229.64 -148.3 -171.538 -111.997 -171.539 -218.706 GPRESSURE: 525200 -281.133 273.826 -199.945 52.1308 -215.192 -158.712 -51.223 -210.985 -194.518 PRESSAVG: 525200 -39.0981 50.3361 32.1428 50.3361 32.232 26.6213 32.1428 26.6212 20.7798 GPRESSAVG: 525200 -39.0232 51.7081 31.8422 50.4768 32.5512 27.8655 33.4728 28.1026 20.564 TIMING: 525200 CPU: 1660.05, 0.00314542/step Wall: 1660.05, 0.00314542/step, 3.90976 hours remaining, 233.347656 MB of memory in use. ENERGY: 525200 4104.7192 20527.1148 14465.2350 246.6453 -203740.9464 2840.2389 0.0000 0.0000 51819.5766 -109737.4167 297.8078 -161556.9932 -109384.1678 298.1748 -263.5916 -230.2812 762508.4288 4.6379 4.6973 PRESSURE: 525400 111.377 -90.9408 -70.3707 -90.9408 293.811 162.279 -70.37 162.281 -230.391 GPRESSURE: 525400 85.8861 -134.623 -84.0737 32.386 298.989 256.002 -105.895 252.613 -129.064 PRESSAVG: 525400 -25.7694 -0.432235 0.705541 -0.432226 10.4018 55.8139 0.705525 55.814 -5.45374 GPRESSAVG: 525400 -25.7563 -3.35329 1.68617 -0.848352 9.2991 55.2563 1.16063 55.293 -4.61984 TIMING: 525400 CPU: 1660.68, 0.00314713/step Wall: 1660.68, 0.00314713/step, 3.91171 hours remaining, 233.347656 MB of memory in use. ENERGY: 525400 3971.0007 20362.0252 14472.4528 243.9132 -203558.4064 2672.8178 0.0000 0.0000 52079.7496 -109756.4470 299.3030 -161836.1966 -109390.3878 298.3211 58.2659 85.2704 763448.4808 -6.9404 -7.0257 PRESSURE: 525600 68.7026 -52.2737 -144.04 -52.275 141.462 -3.9854 -144.04 -3.98451 -82.7918 GPRESSURE: 525600 72.2097 -14.1291 -208.388 4.62642 179.377 -2.85645 -63.4093 43.6166 -36.5074 PRESSAVG: 525600 -1.41746 15.1078 4.99051 15.1078 49.0667 10.6221 4.99051 10.6222 -8.67156 GPRESSAVG: 525600 -1.84936 15.0531 5.75151 18.1513 50.2465 10.9039 4.16493 12.6897 -9.4841 TIMING: 525600 CPU: 1661.31, 0.00314518/step Wall: 1661.31, 0.00314518/step, 3.90911 hours remaining, 233.347656 MB of memory in use. ENERGY: 525600 3970.7932 20501.5644 14505.2650 257.0569 -203454.9023 2697.0946 0.0000 0.0000 51750.1729 -109772.9553 297.4090 -161523.1283 -109416.3377 298.1082 42.4575 71.6930 761797.7076 12.9926 12.9710 PRESSURE: 525800 -257.739 285.891 -52.4203 285.891 -103.751 116.505 -52.4208 116.505 147.494 GPRESSURE: 525800 -176.177 159.103 -90.1714 323.761 -101.012 116.916 10.8973 172.624 147.174 PRESSAVG: 525800 -11.0865 0.55533 -40.0683 0.555293 32.5178 -74.0265 -40.0684 -74.0265 7.96009 GPRESSAVG: 525800 -10.8127 0.444519 -41.3504 -0.578428 31.813 -74.8725 -40.8973 -76.1036 7.91584 TIMING: 525800 CPU: 1661.94, 0.0031582/step Wall: 1661.94, 0.0031582/step, 3.92511 hours remaining, 233.347656 MB of memory in use. ENERGY: 525800 4034.2542 20396.0028 14483.0901 253.1423 -203159.1136 2476.9647 0.0000 0.0000 51544.7281 -109970.9314 296.2283 -161515.6595 -109610.6116 297.9774 -71.3319 -43.3386 762484.5935 9.7971 9.6387 PRESSURE: 526000 181.771 -21.8023 -125.737 -21.802 -4.96887 -239.491 -125.736 -239.493 224.353 GPRESSURE: 526000 256.516 -62.5697 -87.2095 -15.4141 -0.249954 -136.257 -183.111 -195.473 224.3 PRESSAVG: 526000 -4.41973 -0.715293 -43.7252 -0.715276 -50.1583 -2.10297 -43.7251 -2.103 8.73966 GPRESSAVG: 526000 -3.95619 0.0630831 -43.1 -2.23355 -49.8718 -2.67227 -42.3922 -0.396299 8.40171 TIMING: 526000 CPU: 1662.57, 0.00314339/step Wall: 1662.57, 0.00314339/step, 3.90653 hours remaining, 233.347656 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: 526000 3977.2852 20457.6730 14481.6739 244.5441 -203592.3458 2723.3690 0.0000 0.0000 51627.3450 -110080.4555 296.7031 -161707.8005 -109720.9564 297.1339 133.7183 160.1887 763033.2902 -15.2795 -15.1421 PRESSURE: 526200 310.805 121.634 79.5609 121.634 359.926 26.0068 79.5621 26.0069 107.371 GPRESSURE: 526200 295.828 121.44 131.842 134.74 386.261 40.2927 33.3899 -14.0555 171.799 PRESSAVG: 526200 -54.4665 -3.61116 -25.5859 -3.61115 75.6959 -16.282 -25.5859 -16.282 3.64329 GPRESSAVG: 526200 -55.8268 -3.11344 -24.69 -2.94589 75.6565 -14.2764 -25.7532 -16.1041 5.05739 TIMING: 526200 CPU: 1663.19, 0.00313657/step Wall: 1663.19, 0.00313657/step, 3.89788 hours remaining, 233.347656 MB of memory in use. ENERGY: 526200 3922.3415 20344.4111 14481.7884 249.4569 -203597.5447 2882.5295 0.0000 0.0000 51857.8008 -109859.2165 298.0275 -161717.0173 -109485.9164 297.5359 259.3673 284.6291 760647.7498 8.2909 8.2957 PRESSURE: 526400 -10.4512 -52.2986 -71.1471 -52.2973 -67.1712 320.195 -71.1485 320.194 -182.399 GPRESSURE: 526400 2.56556 -64.2795 -47.3019 -72.5906 -51.3102 244.785 -157.592 254.186 -131.666 PRESSAVG: 526400 -41.1232 7.88642 -18.608 7.88639 10.3912 -10.5548 -18.6079 -10.5548 -1.58732 GPRESSAVG: 526400 -39.6373 6.96054 -18.6495 9.67406 9.63428 -12.4762 -20.0168 -14.3254 -2.82581 TIMING: 526400 CPU: 1663.83, 0.00315276/step Wall: 1663.83, 0.00315276/step, 3.91783 hours remaining, 233.347656 MB of memory in use. ENERGY: 526400 3978.9786 20358.5540 14513.9438 241.9470 -203060.2577 2282.8055 0.0000 0.0000 52057.0571 -109626.9717 299.1726 -161684.0288 -109273.0220 298.3257 -86.6737 -60.1367 760430.4231 -10.7731 -10.9429 PRESSURE: 526600 -68.0021 38.081 -106.957 38.0814 -249.005 110.697 -106.957 110.697 -195.284 GPRESSURE: 526600 -103.387 58.5717 -86.2529 -15.9671 -100.988 203.525 -39.3818 122.347 -243.904 PRESSAVG: 526600 26.8654 6.97269 5.04115 6.97269 -20.2502 28.4842 5.04118 28.4843 -39.4096 GPRESSAVG: 526600 26.7544 6.36876 4.71903 5.27637 -19.6353 31.0997 6.80429 31.1215 -39.0989 TIMING: 526600 CPU: 1664.46, 0.00315633/step Wall: 1664.46, 0.00315633/step, 3.92209 hours remaining, 233.347656 MB of memory in use. ENERGY: 526600 3938.3196 20391.3950 14518.9516 257.9095 -203641.9873 2778.9515 0.0000 0.0000 52021.2863 -109735.1739 298.9670 -161756.4602 -109375.4945 298.6208 -170.7636 -149.4261 760334.7842 -10.9315 -10.6599 PRESSURE: 526800 218.96 225.054 -20.7071 225.054 20.2891 61.9798 -20.7076 61.9802 -53.2339 GPRESSURE: 526800 170.938 106.562 71.9442 155.402 75.9241 12.3117 -133.791 20.0363 16.9596 PRESSAVG: 526800 -17.2461 -33.5869 -48.3043 -33.5869 11.3534 43.9932 -48.3043 43.9932 -0.865713 GPRESSAVG: 526800 -16.6808 -31.8441 -48.4691 -33.9674 10.6766 41.6731 -48.9239 43.2212 -0.817661 TIMING: 526800 CPU: 1665.09, 0.00317179/step Wall: 1665.09, 0.00317179/step, 3.94113 hours remaining, 233.347656 MB of memory in use. ENERGY: 526800 3955.2596 20426.8723 14486.6861 247.0883 -203561.7715 2694.3820 0.0000 0.0000 52066.7822 -109684.7011 299.2285 -161751.4833 -109322.7568 298.2073 62.0051 87.9405 759327.4232 -2.2528 -2.2740 PRESSURE: 527000 168.46 -82.5106 76.3007 -82.5107 22.108 255.268 76.3017 255.269 -116.922 GPRESSURE: 527000 186.928 -199.471 75.5706 -159.331 75.5738 140.296 53.975 182.362 -92.4602 PRESSAVG: 527000 -50.1659 51.4818 -35.6978 51.4818 7.16047 -26.313 -35.6978 -26.3129 -10.6272 GPRESSAVG: 527000 -49.5611 49.7994 -36.7384 52.3252 7.58263 -26.6481 -34.0036 -27.8052 -10.9266 TIMING: 527000 CPU: 1665.73, 0.00317813/step Wall: 1665.73, 0.00317813/step, 3.94883 hours remaining, 233.347656 MB of memory in use. ENERGY: 527000 4036.2455 20433.4930 14503.4044 238.4566 -203783.2800 2811.3418 0.0000 0.0000 52063.8813 -109696.4576 299.2118 -161760.3389 -109344.5424 297.8222 24.5487 56.6807 761178.5342 -17.8776 -17.6350 PRESSURE: 527200 189.377 152.779 232.716 152.779 41.2057 36.6783 232.715 36.6771 -77.9768 GPRESSURE: 527200 258.265 237.676 225.953 3.76249 61.4775 107.883 142.838 40.1818 -65.6417 PRESSAVG: 527200 -19.9068 86.6466 -11.604 86.6466 16.6812 45.6259 -11.6039 45.6259 -25.4839 GPRESSAVG: 527200 -20.4468 87.2445 -10.2322 85.1837 16.5108 46.6619 -13.3535 48.9254 -24.8644 TIMING: 527200 CPU: 1666.36, 0.00314822/step Wall: 1666.36, 0.00314822/step, 3.91149 hours remaining, 233.347656 MB of memory in use. ENERGY: 527200 3984.6464 20362.4624 14434.1243 241.5579 -202777.9099 2214.6348 0.0000 0.0000 52008.7864 -109531.6978 298.8952 -161540.4842 -109158.2921 298.5104 50.8686 84.7004 760630.2656 -9.5698 -9.6001 PRESSURE: 527400 -62.0764 24.0614 216.933 24.0608 -170.365 -101.575 216.934 -101.575 -36.4133 GPRESSURE: 527400 -52.7986 51.794 147.136 69.3312 -92.5324 -32.4817 53.1988 -81.2793 -27.757 PRESSAVG: 527400 -7.15961 12.5923 -9.07381 12.5922 0.426293 -40.905 -9.07377 -40.9051 -7.31857 GPRESSAVG: 527400 -6.35022 13.5284 -8.42646 13.2748 -0.00606321 -42.757 -8.73962 -41.5378 -8.0475 TIMING: 527400 CPU: 1666.99, 0.00317414/step Wall: 1666.99, 0.00317414/step, 3.94352 hours remaining, 233.347656 MB of memory in use. ENERGY: 527400 3990.0483 20515.9642 14459.8005 243.0877 -203086.0651 2611.3224 0.0000 0.0000 51779.2447 -109486.5974 297.5760 -161265.8420 -109128.5077 298.7517 -89.6182 -57.6960 761260.2708 -4.6840 -4.8013 PRESSURE: 527600 -101.723 305.634 -50.2655 305.634 82.0178 -108.677 -50.2657 -108.676 -745.881 GPRESSURE: 527600 -160.816 121.922 12.3765 231.182 105.185 -93.6263 -29.5188 -2.50396 -642.871 PRESSAVG: 527600 -0.979609 37.3185 -35.1231 37.3185 -16.4327 -1.12981 -35.1231 -1.12981 0.73162 GPRESSAVG: 527600 -1.39616 36.4234 -34.996 37.445 -16.4394 -0.3526 -37.3897 -1.64053 0.868804 TIMING: 527600 CPU: 1667.62, 0.00315855/step Wall: 1667.62, 0.00315855/step, 3.92398 hours remaining, 233.347656 MB of memory in use. ENERGY: 527600 3987.7187 20445.8022 14437.4148 250.1902 -202716.2100 2288.1511 0.0000 0.0000 51995.8000 -109311.1330 298.8206 -161306.9330 -108957.1825 298.6445 -255.1954 -232.8340 762419.4670 -5.5602 -5.6556 PRESSURE: 527800 482.8 -94.1602 -257.505 -94.16 294.742 -151.865 -257.505 -151.866 147.253 GPRESSURE: 527800 546.558 -74.6916 -186.784 -67.4176 334.91 -236.762 -312.704 -117.894 131.064 PRESSAVG: 527800 -18.2705 4.14597 -85.9763 4.14601 -29.6028 -8.56097 -85.9763 -8.56098 5.67173 GPRESSAVG: 527800 -18.0723 1.92142 -86.126 3.12045 -29.0544 -9.25204 -83.6003 -7.30175 4.93316 TIMING: 527800 CPU: 1668.25, 0.00314516/step Wall: 1668.25, 0.00314516/step, 3.90716 hours remaining, 233.347656 MB of memory in use. ENERGY: 527800 3903.1401 20244.2379 14485.3229 221.8969 -203115.2899 2724.2026 0.0000 0.0000 52202.8642 -109333.6252 300.0106 -161536.4894 -108970.6559 298.7342 308.2652 337.5105 762514.1513 -14.0672 -14.0645 PRESSURE: 528000 -556.113 -118.851 238.702 -118.85 81.7828 238.677 238.702 238.677 23.4597 GPRESSURE: 528000 -572.826 -120.08 226.663 2.17983 116.816 206.874 167.164 158.113 93.2642 PRESSAVG: 528000 -11.3452 -22.0976 17.9863 -22.0977 25.6245 34.7154 17.9864 34.7154 7.96969 GPRESSAVG: 528000 -10.4234 -21.5892 16.3755 -19.5223 25.3448 34.0868 18.758 36.1056 7.65092 TIMING: 528000 CPU: 1668.89, 0.00317181/step Wall: 1668.89, 0.00317181/step, 3.94009 hours remaining, 233.347656 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: 528000 3990.7371 20389.9511 14518.9578 257.4355 -203386.5292 2808.3542 0.0000 0.0000 52131.4408 -109289.6527 299.6001 -161421.0936 -108939.2072 298.8217 -150.2902 -120.9152 763371.0296 7.4163 7.5241 PRESSURE: 528200 -265.155 58.517 48.467 58.5183 20.9333 -151.555 48.4667 -151.555 -29.3876 GPRESSURE: 528200 -191.315 3.09744 52.746 97.8901 52.5769 -10.5101 73.7871 -292.805 -38.321 PRESSAVG: 528200 -44.467 18.89 -16.0887 18.89 30.9014 -16.3674 -16.0887 -16.3673 13.4051 GPRESSAVG: 528200 -46.5375 20.3184 -13.9341 17.7839 32.2348 -13.6537 -17.1979 -21.0122 14.4831 TIMING: 528200 CPU: 1669.52, 0.00318016/step Wall: 1669.52, 0.00318016/step, 3.95029 hours remaining, 233.347656 MB of memory in use. ENERGY: 528200 3887.6749 20284.0018 14499.3782 247.5511 -203062.4035 2651.9080 0.0000 0.0000 52149.1310 -109342.7585 299.7018 -161491.8895 -108983.8883 298.9036 -91.2030 -59.0197 763864.0271 -0.0535 0.0601 LDB: ============= START OF LOAD BALANCING ============== 1682.06 LDB: ============== END OF LOAD BALANCING =============== 1682.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1682.06 LDB: ============= START OF LOAD BALANCING ============== 1682.37 LDB: Largest compute 7068 load 0.030577 is 15.7% of average load 0.195173 LDB: Average compute 0.004362 is 2.2% of average load 0.195173 LDB: TIME 1682.38 LOAD: AVG 0.195173 MAX 0.215162 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.594 MB LDB: TIME 1682.38 LOAD: AVG 0.195173 MAX 0.215162 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.594 MB LDB: TIME 1682.38 LOAD: AVG 0.195173 MAX 0.215162 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.594 MB LDB: ============== END OF LOAD BALANCING =============== 1682.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1682.39 PRESSURE: 528400 -9.36858 -89.5107 -385.152 -89.5113 44.2508 -126.8 -385.151 -126.801 -91.4841 GPRESSURE: 528400 69.4939 -67.7339 -314.085 -7.26491 50.4172 -196.222 -332.985 -141.997 -94.2633 PRESSAVG: 528400 -0.928976 -31.1982 33.3977 -31.1982 14.4696 -6.51445 33.3977 -6.51446 27.715 GPRESSAVG: 528400 2.06895 -30.4583 32.285 -31.5057 12.293 -7.05103 34.5058 -4.91483 26.976 TIMING: 528400 CPU: 1670.17, 0.00323139/step Wall: 1670.17, 0.00323138/step, 4.01374 hours remaining, 233.058594 MB of memory in use. ENERGY: 528400 4037.4105 20283.3342 14491.2572 239.3513 -203055.5498 2654.2321 0.0000 0.0000 52144.0293 -109205.9353 299.6725 -161349.9646 -108840.6342 299.4809 -18.8673 8.5493 762562.4323 13.7519 13.7793 PRESSURE: 528600 -118.79 63.9111 91.6765 63.9105 -168.296 -23.6317 91.677 -23.632 -53.8786 GPRESSURE: 528600 -139.767 15.7376 131.645 148.932 -131.701 -28.1418 49.4063 -210.385 1.39219 PRESSAVG: 528600 -32.6183 -6.73498 -37.1127 -6.73502 15.1883 -61.7675 -37.1126 -61.7674 -14.0689 GPRESSAVG: 528600 -33.9572 -6.79131 -36.7924 -7.59166 16.9461 -61.1212 -39.4062 -60.75 -14.074 TIMING: 528600 CPU: 1670.8, 0.00318251/step Wall: 1670.8, 0.00318251/step, 3.95286 hours remaining, 233.058594 MB of memory in use. ENERGY: 528600 4029.7277 20462.5631 14418.2882 268.0585 -202632.2742 2451.1625 0.0000 0.0000 51646.6482 -109355.8260 296.8140 -161002.4742 -108998.9975 299.0276 -113.6548 -90.0253 764580.9243 -10.4996 -10.3617 PRESSURE: 528800 48.0486 23.6615 -238.886 23.6615 284.909 -22.4835 -238.886 -22.4836 49.7717 GPRESSURE: 528800 237.964 -19.5657 -276.969 85.0284 189.247 23.9772 -23.7996 -41.8249 48.1556 PRESSAVG: 528800 -63.0358 -12.6232 -37.4617 -12.6232 76.0866 -19.1909 -37.4617 -19.1909 0.24021 GPRESSAVG: 528800 -63.0035 -12.8643 -36.5176 -10.0515 74.7758 -20.5237 -35.1389 -19.66 0.715515 TIMING: 528800 CPU: 1671.44, 0.00317974/step Wall: 1671.44, 0.00317974/step, 3.94924 hours remaining, 233.058594 MB of memory in use. ENERGY: 528800 4033.3962 20223.0981 14423.7171 252.1238 -203080.8714 2892.6006 0.0000 0.0000 51929.0831 -109326.8524 298.4372 -161255.9355 -108974.5630 298.4130 127.5763 158.4555 761973.8140 4.4303 4.1626 PRESSURE: 529000 -151.707 0.461226 -144.345 0.460556 -361.019 26.0849 -144.346 26.0862 -169.727 GPRESSURE: 529000 -103.764 -8.74526 -92.2818 88.2956 -296.223 52.0283 -240.566 -3.23305 -188.995 PRESSAVG: 529000 -17.4753 -14.0262 -27.9794 -14.0262 5.1973 -30.4544 -27.9795 -30.4543 29.9198 GPRESSAVG: 529000 -15.9891 -14.0145 -27.6835 -14.6112 5.36752 -30.1475 -28.3405 -30.9431 28.4303 TIMING: 529000 CPU: 1672.08, 0.00318048/step Wall: 1672.08, 0.00318048/step, 3.94998 hours remaining, 233.058594 MB of memory in use. ENERGY: 529000 4069.8142 20472.4735 14552.1396 249.7578 -202904.1634 2729.6226 0.0000 0.0000 51611.7290 -109218.6268 296.6133 -160830.3557 -108870.5772 298.2621 -227.4843 -196.3275 761986.0300 5.8806 5.9363 PRESSURE: 529200 -96.2307 201.8 207.877 201.8 200.445 -132.246 207.877 -132.247 -373.926 GPRESSURE: 529200 -21.8734 141.684 158.894 176.123 152.307 -78.1212 215.908 -297.738 -312.006 PRESSAVG: 529200 -13.0195 29.2911 35.9452 29.2911 58.2551 -44.7807 35.9451 -44.7808 8.66562 GPRESSAVG: 529200 -13.8028 31.1714 33.3097 26.2948 58.2202 -45.674 35.9367 -43.6374 9.61497 TIMING: 529200 CPU: 1672.71, 0.00316338/step Wall: 1672.71, 0.00316338/step, 3.92857 hours remaining, 233.058594 MB of memory in use. ENERGY: 529200 4045.4548 20431.4368 14369.8843 238.5337 -202993.4833 2562.6214 0.0000 0.0000 52010.2036 -109335.3488 298.9034 -161345.5524 -108980.6914 298.9191 -89.9041 -60.5242 759872.6854 17.9671 18.0108 PRESSURE: 529400 38.9213 -13.6696 -68.2948 -13.6694 51.323 187.776 -68.295 187.775 -25.546 GPRESSURE: 529400 100.606 -6.80187 -29.0331 106.398 69.2879 163.624 -21.4709 223.063 -4.61289 PRESSAVG: 529400 21.9196 0.708466 7.416 0.708462 -47.0696 -38.9993 7.41595 -38.9993 11.0025 GPRESSAVG: 529400 22.2917 -1.48232 7.17545 2.38593 -46.7431 -38.0783 8.58992 -41.145 10.726 TIMING: 529400 CPU: 1673.34, 0.00316429/step Wall: 1673.34, 0.00316429/step, 3.92952 hours remaining, 233.058594 MB of memory in use. ENERGY: 529400 4028.6354 20394.5049 14457.2728 252.4388 -203194.9784 2736.2010 0.0000 0.0000 51971.4297 -109354.4958 298.6805 -161325.9255 -108997.2944 298.7827 21.5661 55.0938 762257.5769 -4.7158 -4.5751 PRESSURE: 529600 12.0123 -143.235 43.3986 -143.235 -73.2788 -36.419 43.3981 -36.4198 -202.721 GPRESSURE: 529600 80.0558 -36.2073 107.562 -126.299 -11.7355 -45.7509 -16.4471 -94.2944 -237.965 PRESSAVG: 529600 -0.40299 -8.67929 -13.967 -8.67931 22.4926 5.31781 -13.967 5.31782 33.714 GPRESSAVG: 529600 0.533542 -9.21401 -13.7095 -7.33167 21.9528 4.93558 -13.0899 6.28819 32.9941 TIMING: 529600 CPU: 1673.97, 0.0031584/step Wall: 1673.97, 0.0031584/step, 3.92203 hours remaining, 233.058594 MB of memory in use. ENERGY: 529600 3919.8134 20415.8282 14464.8361 237.9248 -203050.1916 2796.6308 0.0000 0.0000 51917.2171 -109297.9413 298.3690 -161215.1584 -108924.2284 299.1162 -87.9958 -56.5482 762962.5182 18.6012 18.4935 PRESSURE: 529800 -25.9209 261.041 -71.175 261.04 349.639 -12.6088 -71.1756 -12.6109 9.49774 GPRESSURE: 529800 0.316739 335.442 -25.253 203.038 281.163 -28.7795 -170.956 -3.72667 125.974 PRESSAVG: 529800 -41.5474 4.29448 25.0539 4.29449 45.8815 6.34925 25.0539 6.34923 9.97017 GPRESSAVG: 529800 -42.4344 5.17804 26.1858 2.89599 45.5688 5.77686 24.1153 5.44001 11.0538 TIMING: 529800 CPU: 1674.6, 0.00314703/step Wall: 1674.6, 0.00314703/step, 3.90774 hours remaining, 233.058594 MB of memory in use. ENERGY: 529800 3982.7132 20434.8629 14500.8692 251.8309 -203096.1954 2619.9072 0.0000 0.0000 51996.8110 -109309.2010 298.8264 -161306.0120 -108943.4363 298.9098 111.0720 135.8176 763008.1947 4.7681 4.7294 PRESSURE: 530000 330.377 57.4376 -208.838 57.4378 338.617 60.4184 -208.838 60.4192 249.492 GPRESSURE: 530000 347.605 -88.8809 -220.063 -22.5579 453.045 -58.8223 -158.345 162.991 207.9 PRESSAVG: 530000 -33.4325 48.3272 -32.34 48.3272 0.455784 12.2534 -32.34 12.2533 -9.44915 GPRESSAVG: 530000 -33.2509 48.9386 -33.5413 47.5639 1.76901 10.9107 -30.7849 15.5009 -10.8059 TIMING: 530000 CPU: 1675.23, 0.00315279/step Wall: 1675.23, 0.00315279/step, 3.91471 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: 530000 3949.5193 20556.2045 14463.0681 251.5781 -202917.2762 2681.3610 0.0000 0.0000 51846.2819 -109169.2633 297.9613 -161015.5452 -108818.1415 298.8503 306.1621 336.1833 762525.6314 -14.1420 -14.0959 PRESSURE: 530200 -329.32 -37.1902 168.121 -37.189 -128.158 -26.6671 168.121 -26.6662 115.207 GPRESSURE: 530200 -271.572 -52.6043 197.481 -109.31 -70.3555 -46.6429 41.1793 14.6299 90.6169 PRESSAVG: 530200 -34.0728 30.2146 42.036 30.2146 26.6369 12.4536 42.036 12.4535 13.884 GPRESSAVG: 530200 -34.2293 29.8538 42.4627 29.3952 25.9389 14.1635 40.4837 10.6154 14.7435 TIMING: 530200 CPU: 1675.87, 0.00317014/step Wall: 1675.87, 0.00317015/step, 3.93609 hours remaining, 233.058594 MB of memory in use. ENERGY: 530200 4018.3021 20472.2784 14398.8094 245.3422 -202679.6123 2418.0013 0.0000 0.0000 52019.9870 -109106.8919 298.9596 -161126.8788 -108752.0206 298.7378 -114.0902 -83.7703 762953.1209 2.1494 2.1510 PRESSURE: 530400 -280.564 -263.033 78.7282 -263.032 -205.52 -3.51754 78.7283 -3.51807 -28.5848 GPRESSURE: 530400 -291.558 -135.313 50.3869 -156.93 -125.509 -22.2794 -45.5574 9.02088 -23.4254 PRESSAVG: 530400 -4.4024 -41.7507 -26.089 -41.7507 17.1236 34.6215 -26.0891 34.6215 0.376945 GPRESSAVG: 530400 -3.96304 -38.9751 -25.7102 -41.1787 16.4209 34.0821 -26.2969 33.6442 0.604194 TIMING: 530400 CPU: 1676.5, 0.00317674/step Wall: 1676.5, 0.00317674/step, 3.9441 hours remaining, 233.058594 MB of memory in use. ENERGY: 530400 4043.3954 20401.4586 14492.3472 249.5111 -203014.6848 2480.5161 0.0000 0.0000 52048.7404 -109298.7161 299.1248 -161347.4565 -108935.5497 298.8654 -171.5565 -146.8310 763181.5857 4.3661 4.3540 PRESSURE: 530600 33.3703 128.521 -6.86129 128.521 53.6127 -175.065 -6.86141 -175.065 19.256 GPRESSURE: 530600 86.4244 31.7872 -0.98679 119.226 51.87 -121.997 65.9034 -181.499 73.07 PRESSAVG: 530600 -7.90978 11.2316 -30.4969 11.2315 -13.2884 -43.988 -30.4969 -43.9881 -9.66599 GPRESSAVG: 530600 -8.04349 9.77772 -32.1815 12.2935 -13.1651 -43.5233 -30.904 -42.2931 -9.16087 TIMING: 530600 CPU: 1677.14, 0.00316612/step Wall: 1677.14, 0.00316612/step, 3.93074 hours remaining, 233.058594 MB of memory in use. ENERGY: 530600 3942.7796 20564.1100 14461.2449 233.8383 -203129.1185 2668.9032 0.0000 0.0000 51895.8948 -109362.3477 298.2464 -161258.2425 -108999.1262 298.8414 35.4130 70.4548 764300.0556 -10.2881 -10.1231 PRESSURE: 530800 202.168 -53.2713 -89.1926 -53.272 155.997 10.602 -89.1925 10.6029 -166.108 GPRESSURE: 530800 158.387 2.35053 -46.4804 -119.269 192.482 37.1726 -79.2925 -14.3446 -75.7644 PRESSAVG: 530800 -43.7427 21.4895 22.9486 21.4894 27.6823 11.1828 22.9486 11.1828 46.7783 GPRESSAVG: 530800 -44.3189 21.7034 24.289 19.1032 27.8724 11.1035 23.2688 11.3601 47.4177 TIMING: 530800 CPU: 1677.77, 0.00316276/step Wall: 1677.77, 0.00316276/step, 3.92639 hours remaining, 233.058594 MB of memory in use. ENERGY: 530800 4016.4792 20345.2309 14485.0611 245.7958 -203034.3128 2691.5295 0.0000 0.0000 51674.1014 -109576.1148 296.9718 -161250.2162 -109219.1326 298.6608 64.0189 91.7015 763531.3944 10.2393 10.3237 PRESSURE: 531000 -547.09 2.01461 -177.592 2.01438 -182.978 24.6874 -177.592 24.6865 -728.835 GPRESSURE: 531000 -476.711 9.91189 -166.338 42.343 -215.012 10.5541 -144.382 -17.8035 -691.517 PRESSAVG: 531000 -82.9528 -20.7649 -2.11752 -20.7649 115.241 -24.153 -2.11757 -24.153 -13.0386 GPRESSAVG: 531000 -81.9733 -23.0034 -2.36881 -18.8497 115.094 -26.0292 -3.1004 -24.1228 -14.5924 TIMING: 531000 CPU: 1678.4, 0.00316416/step Wall: 1678.4, 0.00316416/step, 3.92795 hours remaining, 233.058594 MB of memory in use. ENERGY: 531000 3986.2117 20528.9898 14502.0604 248.5403 -203170.6613 2631.4770 0.0000 0.0000 52095.7575 -109177.6246 299.3950 -161273.3820 -108817.4933 298.7979 -486.3008 -461.0799 763710.5777 6.4165 6.1760 PRESSURE: 531200 -381.986 86.3716 -48.8831 86.3717 82.2418 -68.4332 -48.8834 -68.4333 136.815 GPRESSURE: 531200 -278.152 110.44 -86.7843 111.769 34.5651 -103.192 -28.8976 -32.0573 155.272 PRESSAVG: 531200 -19.3654 -15.5228 4.10518 -15.5229 45.8122 -35.4952 4.10519 -35.4951 -14.7951 GPRESSAVG: 531200 -19.4541 -15.0394 3.43189 -15.5922 45.3518 -33.1276 2.66042 -36.8382 -14.7014 TIMING: 531200 CPU: 1679.03, 0.00314947/step Wall: 1679.03, 0.00314947/step, 3.90954 hours remaining, 233.058594 MB of memory in use. ENERGY: 531200 3994.5413 20591.9612 14529.7592 241.5334 -202927.2313 2604.8593 0.0000 0.0000 51995.4073 -108969.1696 298.8183 -160964.5769 -108612.5680 299.8635 -54.3100 -29.4383 763761.8902 3.8839 3.7321 PRESSURE: 531400 -95.5335 77.6399 67.8925 77.639 118.474 65.0983 67.8929 65.0985 68.1797 GPRESSURE: 531400 -24.8232 64.7212 18.0854 101.441 106.807 70.3072 109.956 156.876 98.8228 PRESSAVG: 531400 -103.462 -27.884 -11.9536 -27.884 64.598 21.7071 -11.9536 21.7071 18.5187 GPRESSAVG: 531400 -103.753 -26.7925 -10.5599 -28.5778 65.6914 22.1967 -10.1625 22.9524 17.7581 TIMING: 531400 CPU: 1679.66, 0.00316126/step Wall: 1679.66, 0.00316126/step, 3.924 hours remaining, 233.058594 MB of memory in use. ENERGY: 531400 4018.4332 20427.8229 14502.2416 251.5814 -202816.7674 2418.3681 0.0000 0.0000 52399.5731 -108798.7471 301.1411 -161198.3202 -108433.9883 299.9897 30.3736 60.2689 764130.0954 -6.7818 -6.7679 PRESSURE: 531600 -154.251 -18.936 -107.036 -18.9357 -13.1983 -131.465 -107.036 -131.464 -12.817 GPRESSURE: 531600 -56.1737 11.8454 -244.418 26.0092 0.0671421 -177.46 -15.3167 -15.8023 -45.6786 PRESSAVG: 531600 -32.3474 0.935801 20.0517 0.93576 12.0506 -0.0104147 20.0516 -0.0104052 -4.91108 GPRESSAVG: 531600 -32.1023 0.877056 20.0809 1.37642 11.8959 -0.911968 18.1122 -1.0071 -5.23457 TIMING: 531600 CPU: 1680.29, 0.00315359/step Wall: 1680.29, 0.00315359/step, 3.91431 hours remaining, 233.058594 MB of memory in use. ENERGY: 531600 3884.4910 20384.0561 14461.0008 244.6105 -202914.3315 2589.7385 0.0000 0.0000 52398.1333 -108952.3013 301.1328 -161350.4346 -108584.6180 300.0930 -60.0888 -33.9284 764617.9790 -8.4026 -8.4803 PRESSURE: 531800 -100.489 -103.694 207.557 -103.694 -10.927 61.12 207.556 61.1191 -193.588 GPRESSURE: 531800 -90.2777 -178.204 253.582 -100.874 59.7605 64.4339 142.14 -38.2479 -211.649 PRESSAVG: 531800 -42.0517 16.383 -0.723318 16.383 78.8746 15.827 -0.723345 15.8269 -11.9764 GPRESSAVG: 531800 -42.1086 14.2954 -2.13431 18.8312 78.7595 16.8429 2.73236 15.9274 -11.4252 TIMING: 531800 CPU: 1680.92, 0.0031469/step Wall: 1680.92, 0.0031469/step, 3.90583 hours remaining, 233.058594 MB of memory in use. ENERGY: 531800 3943.6208 20495.6024 14432.5917 238.4371 -202600.1007 2374.1380 0.0000 0.0000 52109.5763 -109006.1343 299.4745 -161115.7106 -108639.1051 299.4096 -101.6680 -80.7219 763399.9138 8.2822 8.4086 PRESSURE: 532000 -123.762 167.614 217.521 167.614 -71.0318 81.3963 217.52 81.3962 -78.041 GPRESSURE: 532000 -74.8537 156.602 158.828 136.168 -79.4736 52.9424 201.354 84.0812 -53.0041 PRESSAVG: 532000 -72.1664 -10.9891 -19.1258 -10.9891 63.2052 -37.2646 -19.1258 -37.2647 13.4155 GPRESSAVG: 532000 -71.8868 -9.30221 -17.5807 -12.1496 63.53 -39.8848 -22.5326 -37.8043 12.3361 TIMING: 532000 CPU: 1681.56, 0.00315563/step Wall: 1681.56, 0.00315563/step, 3.91649 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: 532000 4003.7183 20702.9043 14446.2456 260.0237 -202750.1335 2564.3794 0.0000 0.0000 51819.0139 -108953.8482 297.8046 -160772.8621 -108594.5847 299.7038 -90.9448 -69.1105 765883.3992 1.4848 1.3265 PRESSURE: 532200 154.327 -45.9553 -66.1239 -45.9551 -78.9635 -173.823 -66.1243 -173.824 14.6496 GPRESSURE: 532200 179.043 -55.4557 -70.7959 -9.21463 -67.4884 -182.465 -40.6687 -128.575 49.3317 PRESSAVG: 532200 26.7609 -22.5783 -4.92563 -22.5783 9.20584 -30.5986 -4.92561 -30.5986 29.233 GPRESSAVG: 532200 25.8787 -21.9436 -5.12496 -22.8917 7.84901 -30.231 -2.84579 -28.9418 31.1476 TIMING: 532200 CPU: 1682.19, 0.00315534/step Wall: 1682.19, 0.00315534/step, 3.91595 hours remaining, 233.261719 MB of memory in use. ENERGY: 532200 3947.4210 20672.5629 14488.9054 239.8895 -203361.7395 2914.5007 0.0000 0.0000 52039.4473 -109059.0127 299.0714 -161098.4600 -108701.1868 299.9922 30.0045 53.6287 763300.3860 21.7333 21.6251 LDB: ============= START OF LOAD BALANCING ============== 1694.72 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1694.72 LDB: =============== DONE WITH MIGRATION ================ 1694.72 LDB: ============= START OF LOAD BALANCING ============== 1695.04 LDB: Largest compute 7060 load 0.030218 is 15.5% of average load 0.195105 LDB: Average compute 0.004395 is 2.3% of average load 0.195105 LDB: TIME 1695.04 LOAD: AVG 0.195105 MAX 0.218091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.395 MB LDB: TIME 1695.04 LOAD: AVG 0.195105 MAX 0.218091 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.395 MB LDB: TIME 1695.04 LOAD: AVG 0.195105 MAX 0.216072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.395 MB LDB: ============== END OF LOAD BALANCING =============== 1695.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1695.05 PRESSURE: 532400 -178.483 -193.35 181.127 -193.35 133.605 -236.412 181.127 -236.411 182.476 GPRESSURE: 532400 -149.982 -194.534 221.708 -215.026 207.212 -210.428 71.8273 -164.465 172.547 PRESSAVG: 532400 -13.437 -32.8152 9.12215 -32.8152 -7.8601 -7.78829 9.12213 -7.7883 -6.4292 GPRESSAVG: 532400 -14.1898 -33.8148 8.21931 -31.6222 -6.51095 -6.893 7.91466 -8.85495 -6.9576 TIMING: 532400 CPU: 1682.83, 0.00321706/step Wall: 1682.83, 0.00321706/step, 3.99238 hours remaining, 233.636719 MB of memory in use. ENERGY: 532400 3939.4836 20675.2073 14478.1581 225.8977 -202924.5790 2482.4849 0.0000 0.0000 52230.4466 -108892.9010 300.1691 -161123.3475 -108526.0056 299.7628 45.8658 76.5921 761474.6080 -9.2421 -9.2195 PRESSURE: 532600 252.757 -66.8306 -274.837 -66.8305 201.489 58.1892 -274.837 58.189 -222.178 GPRESSURE: 532600 281.565 -154.127 -259.452 -82.6173 145.412 85.2183 -176.271 19.556 -100.561 PRESSAVG: 532600 28.0877 -39.4134 21.9295 -39.4134 10.1497 13.3071 21.9295 13.3072 -15.1259 GPRESSAVG: 532600 29.4567 -39.0352 22.0855 -41.463 8.97742 13.8005 23.0245 10.5259 -15.5368 TIMING: 532600 CPU: 1683.46, 0.00317132/step Wall: 1683.46, 0.00317132/step, 3.93543 hours remaining, 233.636719 MB of memory in use. ENERGY: 532600 4000.7631 20444.7332 14527.9107 245.3456 -203082.4555 2878.2364 0.0000 0.0000 52096.5817 -108888.8847 299.3998 -160985.4664 -108517.1187 299.8681 77.3559 108.8053 763585.4856 7.7038 7.6324 PRESSURE: 532800 -55.7622 46.7019 152.876 46.7013 -243.552 -219.607 152.875 -219.607 42.5924 GPRESSURE: 532800 -28.8948 97.5917 138.676 -32.4437 -81.3557 -181.084 67.6539 -156.223 -41.7756 PRESSAVG: 532800 -68.3285 -47.4487 23.5759 -47.4487 44.8589 8.69068 23.576 8.69068 -14.1241 GPRESSAVG: 532800 -68.1195 -47.7206 23.3548 -47.2457 44.762 8.87884 23.3539 10.4131 -14.0096 TIMING: 532800 CPU: 1684.1, 0.00317616/step Wall: 1684.1, 0.00317616/step, 3.94126 hours remaining, 233.746094 MB of memory in use. ENERGY: 532800 4051.1700 20442.5804 14452.6358 251.6388 -202799.9629 2475.1141 0.0000 0.0000 52240.0388 -108886.7851 300.2242 -161126.8239 -108517.3571 299.5436 -85.5738 -50.6754 763998.0965 -12.5313 -12.4557 PRESSURE: 533000 -168.731 -202.576 203.561 -202.578 12.9916 299.984 203.562 299.983 82.1808 GPRESSURE: 533000 -116.919 -73.5463 165.97 -180.219 -22.6224 397.83 94.2802 148.828 142.052 PRESSAVG: 533000 -42.6716 -46.5509 -27.8578 -46.5509 6.60096 -11.1939 -27.8578 -11.1939 -12.8684 GPRESSAVG: 533000 -42.8394 -45.8003 -26.9309 -47.3796 7.18305 -10.7965 -30.9551 -12.8139 -13.2262 TIMING: 533000 CPU: 1684.74, 0.00318673/step Wall: 1684.74, 0.00318673/step, 3.9542 hours remaining, 233.746094 MB of memory in use. ENERGY: 533000 4009.2636 20576.1632 14481.8275 242.7795 -202936.5428 2666.1003 0.0000 0.0000 52124.9069 -108835.5018 299.5626 -160960.4088 -108478.6318 300.2059 -24.5194 0.8368 762988.8434 -16.3130 -16.2942 PRESSURE: 533200 217.471 47.7297 101.593 47.7295 62.9634 -225.836 101.593 -225.836 181.1 GPRESSURE: 533200 177.14 45.0696 62.8114 -47.4738 192.636 -161.81 179.589 -77.3434 164.263 PRESSAVG: 533200 -21.5546 -26.8786 -26.0596 -26.8785 50.5838 -3.68524 -26.0596 -3.68531 -8.41801 GPRESSAVG: 533200 -22.1929 -27.6318 -27.3513 -24.9667 50.0887 -4.93322 -23.0228 -2.5311 -7.80672 TIMING: 533200 CPU: 1685.37, 0.00316159/step Wall: 1685.37, 0.00316159/step, 3.92283 hours remaining, 233.746094 MB of memory in use. ENERGY: 533200 4006.3231 20656.1944 14421.6475 248.0441 -203377.6717 2734.2997 0.0000 0.0000 52237.5308 -109073.6321 300.2098 -161311.1629 -108710.0319 300.1004 153.8450 178.0128 761416.4035 6.8704 6.6964 PRESSURE: 533400 122.928 -241.877 -58.7368 -241.878 -388.271 100.715 -58.7367 100.715 -159.325 GPRESSURE: 533400 82.4204 -222.662 -92.2286 -115.043 -295.359 171.199 -21.8566 155.509 -140.805 PRESSAVG: 533400 -21.0014 -3.1711 -28.1399 -3.17104 63.1698 -44.5206 -28.1399 -44.5205 13.4779 GPRESSAVG: 533400 -20.5504 -2.20715 -27.1352 -1.80194 63.9568 -44.6239 -26.9402 -44.8434 12.7347 TIMING: 533400 CPU: 1686, 0.00315446/step Wall: 1686, 0.00315446/step, 3.9138 hours remaining, 233.746094 MB of memory in use. ENERGY: 533400 4027.8432 20461.9053 14436.9318 237.4004 -203075.8963 2453.0875 0.0000 0.0000 52240.4432 -109218.2849 300.2265 -161458.7281 -108855.3764 300.0623 -141.5560 -117.9146 762905.7060 18.5488 18.7137 PRESSURE: 533600 -123.697 -225.801 77.8171 -225.8 39.9555 -238.884 77.8179 -238.883 -293.985 GPRESSURE: 533600 -46.9702 -261.941 98.5353 -251.292 43.5831 -223.289 65.797 -131.472 -291.024 PRESSAVG: 533600 19.0438 -18.9089 -40.7408 -18.9089 -11.2681 -54.254 -40.7408 -54.254 -3.85393 GPRESSAVG: 533600 21.3431 -20.1232 -41.7479 -19.9006 -14.1484 -54.0581 -43.5206 -52.86 -3.56396 TIMING: 533600 CPU: 1686.63, 0.00314086/step Wall: 1686.63, 0.00314086/step, 3.89676 hours remaining, 233.746094 MB of memory in use. ENERGY: 533600 4044.0352 20452.5125 14406.6083 253.1123 -203111.4999 2468.8987 0.0000 0.0000 52227.1441 -109259.1888 300.1501 -161486.3329 -108888.6646 299.5818 -125.9090 -98.1369 763728.6567 1.3073 1.2103 PRESSURE: 533800 266.382 -130.573 37.9142 -130.572 -197.792 -156.043 37.9138 -156.042 -18.6775 GPRESSURE: 533800 260.391 -161.803 41.0402 -177.69 -113.569 -84.4574 -72.2459 -96.9663 -27.9547 PRESSAVG: 533800 37.0958 -53.2272 -47.6917 -53.2272 -24.9702 -96.4929 -47.6916 -96.4929 18.6226 GPRESSAVG: 533800 34.4202 -54.5747 -47.4465 -55.0529 -22.4374 -96.197 -48.2375 -96.1703 18.9442 TIMING: 533800 CPU: 1687.26, 0.0031372/step Wall: 1687.26, 0.0031372/step, 3.89205 hours remaining, 233.746094 MB of memory in use. ENERGY: 533800 4007.1027 20587.3185 14399.7987 224.0115 -203059.1799 2447.7054 0.0000 0.0000 52096.7037 -109296.5394 299.4005 -161393.2431 -108922.9500 299.2153 16.6376 39.6227 762975.2152 10.2494 10.3090 PRESSURE: 534000 -118.156 -7.60812 -207.056 -7.60807 -137.493 -19.558 -207.056 -19.5589 133.292 GPRESSURE: 534000 -111.632 -32.3699 -177.674 189.894 -156.351 -26.1705 -153.786 -78.4282 235.817 PRESSAVG: 534000 2.29885 -5.2164 -13.6135 -5.21639 -3.22186 -55.0984 -13.6136 -55.0983 1.30484 GPRESSAVG: 534000 3.65147 -3.09605 -13.0477 -3.83472 -3.90457 -56.3695 -12.3553 -56.3902 1.0248 TIMING: 534000 CPU: 1687.89, 0.00315763/step Wall: 1687.89, 0.00315763/step, 3.91721 hours remaining, 233.746094 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: 534000 3938.4672 20567.9277 14468.6626 241.5053 -203159.0488 2657.6839 0.0000 0.0000 52071.3361 -109213.4661 299.2547 -161284.8022 -108854.4487 299.2906 -40.7857 -10.7222 762390.7007 0.1273 0.2572 PRESSURE: 534200 -94.2931 34.6461 10.4333 34.6465 -204.685 -30.7505 10.4336 -30.7501 -20.9585 GPRESSURE: 534200 -109.059 -31.2362 -46.5907 -139.263 -115.198 -20.0094 64.0837 -36.2153 -21.3499 PRESSAVG: 534200 -18.7439 -96.1854 -4.81135 -96.1854 -7.73987 6.48475 -4.81137 6.48469 17.0857 GPRESSAVG: 534200 -18.4687 -95.6164 -5.33178 -96.5485 -8.45807 7.9887 -4.04906 5.55676 17.962 TIMING: 534200 CPU: 1688.52, 0.00314433/step Wall: 1688.52, 0.00314433/step, 3.90054 hours remaining, 233.746094 MB of memory in use. ENERGY: 534200 4014.4572 20679.5252 14460.9434 243.2646 -203072.4928 2551.5750 0.0000 0.0000 52015.5988 -109107.1287 298.9344 -161122.7275 -108748.4617 300.0472 -106.6457 -81.8689 761747.5611 -3.1327 -2.9883 PRESSURE: 534400 -314.625 11.3887 50.5946 11.3891 71.8929 -182.813 50.5943 -182.813 -248.074 GPRESSURE: 534400 -262.64 25.1923 60.8881 64.2362 179.407 -191.301 6.07123 -138.225 -317.245 PRESSAVG: 534400 -32.4709 -31.121 -10.9353 -31.121 39.7287 -28.6276 -10.9353 -28.6276 21.6064 GPRESSAVG: 534400 -32.9044 -31.8092 -10.899 -30.163 41.4183 -29.3638 -11.7062 -29.0009 20.6476 TIMING: 534400 CPU: 1689.14, 0.00314394/step Wall: 1689.14, 0.00314394/step, 3.89988 hours remaining, 233.746094 MB of memory in use. ENERGY: 534400 4008.6687 20534.2042 14453.6670 236.5450 -203313.7763 2491.8914 0.0000 0.0000 52306.9242 -109281.8758 300.6086 -161588.8000 -108909.5497 299.7657 -163.6021 -133.4926 760460.5588 9.6214 9.7205 PRESSURE: 534600 -426.498 -57.2002 -410.564 -57.1999 -77.3288 -137.107 -410.564 -137.107 -213.412 GPRESSURE: 534600 -303.232 -110.668 -442.917 -121.526 -155.492 -196.892 -328.729 -70.5626 -182.205 PRESSAVG: 534600 -75.3179 -30.1165 1.46417 -30.1164 61.7633 -48.7013 1.46415 -48.7013 5.19131 GPRESSAVG: 534600 -75.4806 -28.382 1.51106 -30.8142 60.5074 -49.9059 3.98138 -47.0064 6.03671 TIMING: 534600 CPU: 1689.77, 0.00313411/step Wall: 1689.77, 0.00313411/step, 3.88751 hours remaining, 233.746094 MB of memory in use. ENERGY: 534600 4014.9783 20725.9003 14475.1652 262.8204 -203255.4609 2347.0252 0.0000 0.0000 51994.6371 -109434.9343 298.8139 -161429.5714 -109082.6765 299.1582 -239.0796 -213.6432 761347.4751 -2.7877 -2.9788 PRESSURE: 534800 -28.439 -111.073 -264.474 -111.075 98.3814 125.942 -264.475 125.943 -232.254 GPRESSURE: 534800 -18.8488 32.2701 -324.538 -67.302 146.645 229.733 -93.4696 71.572 -212.728 PRESSAVG: 534800 -54.7266 -36.7211 -71.2597 -36.7212 89.2809 -34.3063 -71.2597 -34.3062 -8.72315 GPRESSAVG: 534800 -54.3154 -37.3958 -71.7654 -37.701 89.7298 -34.2728 -71.613 -34.3472 -10.4689 TIMING: 534800 CPU: 1690.4, 0.00315417/step Wall: 1690.4, 0.00315417/step, 3.91222 hours remaining, 233.746094 MB of memory in use. ENERGY: 534800 4054.9663 20669.8184 14519.0245 242.7079 -203641.7170 2709.6517 0.0000 0.0000 52003.6471 -109441.9013 298.8657 -161445.5483 -109079.0765 299.0740 -54.1040 -28.3107 762856.1127 8.6104 8.3152 PRESSURE: 535000 -245.265 -250.87 300.084 -250.87 277.704 -132.08 300.084 -132.08 298.211 GPRESSURE: 535000 -51.1416 -200.902 289.092 -254.84 259.726 -186.864 228.381 -145.332 213.208 PRESSAVG: 535000 -36.0368 -47.1465 -29.2442 -47.1465 30.2443 -8.7431 -29.2442 -8.74316 4.88289 GPRESSAVG: 535000 -34.864 -49.175 -27.0819 -44.8831 29.2931 -8.43441 -30.5944 -9.09325 4.73925 TIMING: 535000 CPU: 1691.03, 0.00315051/step Wall: 1691.03, 0.00315051/step, 3.90751 hours remaining, 233.746094 MB of memory in use. ENERGY: 535000 3979.3031 20499.8311 14479.6189 229.4782 -203210.0993 2520.1409 0.0000 0.0000 52161.1811 -109340.5460 299.7710 -161501.7271 -108978.8207 298.8041 110.2167 140.5973 761441.5028 -0.3032 -0.2772 PRESSURE: 535200 -240.653 -246.469 -62.0497 -246.469 -156.944 36.608 -62.0503 36.6085 176.641 GPRESSURE: 535200 -223.105 -263.761 -188.115 -199.094 -129.638 80.7089 -73.2015 -76.9925 208.169 PRESSAVG: 535200 -32.1982 -23.2159 -38.3714 -23.2159 20.3479 18.8013 -38.3713 18.8013 -42.4392 GPRESSAVG: 535200 -32.6019 -21.3643 -39.6729 -23.5622 20.329 17.8886 -38.3246 17.6631 -41.6489 TIMING: 535200 CPU: 1691.66, 0.00313682/step Wall: 1691.66, 0.00313682/step, 3.89036 hours remaining, 233.746094 MB of memory in use. ENERGY: 535200 3964.3224 20526.4606 14545.0938 244.8958 -203447.0082 2650.7660 0.0000 0.0000 51942.8155 -109572.6540 298.5161 -161515.4696 -109217.1222 299.1478 -73.6520 -48.1914 761344.2259 -18.0965 -17.9740 PRESSURE: 535400 -146.064 75.8659 99.1711 75.8672 118.506 -1.79518 99.1708 -1.79568 -166.734 GPRESSURE: 535400 -40.3917 -13.78 91.9272 82.3079 127.481 6.70631 122.095 21.4758 -206.719 PRESSAVG: 535400 -31.6803 37.3892 -0.826798 37.3892 -4.94497 12.8889 -0.826719 12.8888 29.4045 GPRESSAVG: 535400 -31.5893 36.3851 -0.504428 37.5722 -3.79954 14.0076 -2.45936 16.0083 28.2876 TIMING: 535400 CPU: 1692.29, 0.00313619/step Wall: 1692.29, 0.00313619/step, 3.8894 hours remaining, 233.746094 MB of memory in use. ENERGY: 535400 3931.0151 20482.6719 14435.2116 241.3377 -203093.2387 2566.4070 0.0000 0.0000 51897.1979 -109539.3976 298.2539 -161436.5955 -109172.0596 298.6861 -64.7637 -39.8764 762609.5081 -2.4069 -2.3671 PRESSURE: 535600 31.9167 34.1958 156.759 34.1956 -207.123 -138.565 156.759 -138.565 99.9003 GPRESSURE: 535600 0.771979 2.93466 240.329 58.1134 -132.041 -23.7476 78.9694 -210.74 149.442 PRESSAVG: 535600 7.54061 -30.555 4.86677 -30.555 1.60647 33.4504 4.86672 33.4504 -4.7459 GPRESSAVG: 535600 7.5746 -29.6287 4.86122 -32.7646 0.405595 31.6421 6.48303 32.3571 -2.96361 TIMING: 535600 CPU: 1692.92, 0.00315897/step Wall: 1692.92, 0.00315897/step, 3.91748 hours remaining, 233.949219 MB of memory in use. ENERGY: 535600 3935.9851 20632.0441 14477.8374 246.8398 -203229.4468 2474.5632 0.0000 0.0000 52041.9137 -109420.2635 299.0856 -161462.1773 -109055.0001 298.7743 -25.1021 6.0577 762469.3621 1.4671 1.6722 PRESSURE: 535800 -109.705 104.037 230.425 104.037 -293.43 48.1696 230.425 48.1701 42.3018 GPRESSURE: 535800 -84.1348 73.8998 194.62 17.6152 -184.737 5.80532 339.854 30.5741 -0.997796 PRESSAVG: 535800 1.97044 -2.15521 -13.4778 -2.15525 -31.7204 -37.8887 -13.4778 -37.8887 -25.9279 GPRESSAVG: 535800 2.29666 -2.70728 -13.3458 -0.984236 -29.8708 -37.1737 -13.8697 -38.7286 -27.3588 TIMING: 535800 CPU: 1693.55, 0.00316697/step Wall: 1693.55, 0.00316697/step, 3.92722 hours remaining, 233.949219 MB of memory in use. ENERGY: 535800 3924.1285 20480.7009 14503.4747 228.0675 -203117.8182 2627.5508 0.0000 0.0000 51880.7858 -109473.1101 298.1596 -161353.8959 -109120.8023 298.2495 -120.2776 -89.9564 761996.1066 -18.5593 -18.3110 PRESSURE: 536000 125.28 118.663 -11.7978 118.663 -50.328 -133.802 -11.7972 -133.802 196.967 GPRESSURE: 536000 102.267 -28.1967 28.6888 130.827 32.1288 -5.63311 -84.6489 -5.02321 235.349 PRESSAVG: 536000 45.9001 -13.7753 29.577 -13.7753 20.9984 -0.675688 29.577 -0.675635 2.19832 GPRESSAVG: 536000 45.7475 -12.9529 30.2789 -12.7789 20.7038 1.42262 29.0897 -0.502668 3.08562 TIMING: 536000 CPU: 1694.18, 0.00315477/step Wall: 1694.18, 0.00315477/step, 3.91192 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: 536000 3880.2478 20290.1254 14499.8177 254.3076 -203226.4052 2648.4086 0.0000 0.0000 52108.5128 -109544.9854 299.4683 -161653.4982 -109181.9942 298.7515 90.6397 123.2482 760317.3170 23.0323 23.1790 PRESSURE: 536200 -220.159 -164.282 -161.853 -164.282 124.195 272.659 -161.853 272.659 28.6278 GPRESSURE: 536200 -145.555 -24.1847 -133.418 -277.239 103.129 183.829 -123.547 246.244 83.3736 PRESSAVG: 536200 25.9162 -14.038 -42.8621 -14.0379 2.97199 -4.51315 -42.8621 -4.51309 3.26181 GPRESSAVG: 536200 26.215 -13.0818 -43.6011 -14.8977 2.28305 -7.0424 -41.1806 -5.67395 3.8053 TIMING: 536200 CPU: 1694.82, 0.00318141/step Wall: 1694.82, 0.00318141/step, 3.94477 hours remaining, 233.949219 MB of memory in use. ENERGY: 536200 3975.3148 20428.2809 14417.7928 234.1546 -203537.8593 2742.7842 0.0000 0.0000 52164.0752 -109575.4568 299.7877 -161739.5319 -109218.3108 298.7693 -22.4455 13.6493 760965.9429 10.7167 10.7678 LDB: ============= START OF LOAD BALANCING ============== 1707.35 LDB: ============== END OF LOAD BALANCING =============== 1707.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1707.36 LDB: ============= START OF LOAD BALANCING ============== 1707.67 LDB: Largest compute 7068 load 0.032108 is 16.4% of average load 0.195261 LDB: Average compute 0.004377 is 2.2% of average load 0.195261 LDB: TIME 1707.67 LOAD: AVG 0.195261 MAX 0.212122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.32 MB LDB: TIME 1707.67 LOAD: AVG 0.195261 MAX 0.212122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.32 MB LDB: TIME 1707.68 LOAD: AVG 0.195261 MAX 0.212122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.32 MB LDB: ============== END OF LOAD BALANCING =============== 1707.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1707.68 PRESSURE: 536400 -166.449 140.676 329.447 140.676 -126.771 110.719 329.446 110.719 -219.454 GPRESSURE: 536400 -24.6938 131.288 345.884 82.8764 -107.996 162.792 214.572 23.1397 -280.761 PRESSAVG: 536400 20.1282 -19.1789 59.536 -19.1789 -26.5413 60.8411 59.536 60.8411 -12.5791 GPRESSAVG: 536400 20.8683 -19.9436 59.6013 -20.0121 -26.9812 61.3145 60.6185 61.6365 -13.0275 TIMING: 536400 CPU: 1695.46, 0.0032268/step Wall: 1695.46, 0.0032268/step, 4.00087 hours remaining, 233.343750 MB of memory in use. ENERGY: 536400 3927.7422 20494.5193 14414.1051 254.1404 -202946.5604 2314.2061 0.0000 0.0000 51943.5121 -109598.3351 298.5201 -161541.8472 -109239.1415 298.8573 -170.8911 -137.8170 760797.4142 -6.3307 -6.3801 PRESSURE: 536600 -24.2667 99.9573 32.7046 99.9575 -295.607 42.4635 32.7043 42.4644 213.011 GPRESSURE: 536600 68.0364 61.4077 115.354 127.237 -249.675 -77.768 154.515 92.4937 136.315 PRESSAVG: 536600 17.7583 -6.24562 55.9447 -6.2456 13.4528 -27.2195 55.9447 -27.2194 -16.5695 GPRESSAVG: 536600 17.1738 -4.53066 55.2375 -6.79307 14.5501 -27.3976 55.1497 -28.2948 -17.0038 TIMING: 536600 CPU: 1696.1, 0.00315642/step Wall: 1696.1, 0.00315642/step, 3.91343 hours remaining, 233.343750 MB of memory in use. ENERGY: 536600 3951.5714 20517.1229 14490.5318 237.4891 -203604.8072 2765.6367 0.0000 0.0000 51971.0005 -109671.4549 298.6781 -161642.4553 -109307.4034 299.0334 -35.6210 -15.1078 759776.6195 4.8805 4.9067 PRESSURE: 536800 360.827 -17.8457 206.119 -17.8447 238.769 -116.93 206.12 -116.93 108.335 GPRESSURE: 536800 377.702 -109.206 231.978 25.9053 300.205 -108.901 304.416 -82.7576 112.864 PRESSAVG: 536800 46.5783 24.589 78.0398 24.589 -77.7667 -3.30914 78.0398 -3.30914 8.62952 GPRESSAVG: 536800 44.1904 19.5059 78.9643 25.0251 -76.3906 -3.25115 79.455 -1.18478 9.26406 TIMING: 536800 CPU: 1696.72, 0.00314242/step Wall: 1696.72, 0.00314242/step, 3.89591 hours remaining, 233.343750 MB of memory in use. ENERGY: 536800 3970.8816 20325.9784 14442.7220 248.4589 -203641.3542 2889.6863 0.0000 0.0000 52130.2125 -109633.4145 299.5930 -161763.6270 -109262.4222 299.1012 235.9769 263.5904 759325.7187 -7.5196 -7.6454 PRESSURE: 537000 -155.961 -272.346 97.1913 -272.345 -532.916 305.604 97.1919 305.604 -271.168 GPRESSURE: 537000 -59.0765 -275.737 155.62 -213.064 -521.325 323.721 46.0319 106.341 -295.929 PRESSAVG: 537000 2.06431 -31.2637 36.3947 -31.2637 -51.664 55.1911 36.3947 55.1911 -2.80882 GPRESSAVG: 537000 3.91558 -27.2826 37.4799 -31.7006 -52.052 55.7317 32.5812 52.9076 -4.17122 TIMING: 537000 CPU: 1697.36, 0.0031764/step Wall: 1697.36, 0.0031764/step, 3.93785 hours remaining, 233.343750 MB of memory in use. ENERGY: 537000 4019.5216 20452.8379 14441.7814 239.5050 -203224.7354 2497.4477 0.0000 0.0000 52240.2324 -109333.4096 300.2253 -161573.6419 -108965.8019 298.9904 -320.0149 -292.1101 763364.4631 -17.4695 -17.4359 PRESSURE: 537200 -235.874 151.112 -222.199 151.112 -99.3745 70.1968 -222.199 70.1964 -396.417 GPRESSURE: 537200 -171.049 153.688 -205.123 140.615 -125.298 18.392 -39.573 88.2838 -364.377 PRESSAVG: 537200 -9.92296 -7.31369 13.4647 -7.31376 -8.24004 10.7174 13.4647 10.7173 -5.64427 GPRESSAVG: 537200 -9.49138 -8.88911 13.5609 -5.70219 -7.37493 11.6123 15.4615 8.27967 -5.97316 TIMING: 537200 CPU: 1697.99, 0.00316046/step Wall: 1697.99, 0.00316046/step, 3.91792 hours remaining, 233.343750 MB of memory in use. ENERGY: 537200 4015.4015 20377.8558 14464.1616 250.8300 -202802.4770 2410.7811 0.0000 0.0000 51840.3426 -109443.1044 297.9272 -161283.4470 -109076.2239 298.5883 -243.8884 -220.2415 763230.9982 -7.9358 -7.6132 PRESSURE: 537400 48.6782 -166.196 151.437 -166.196 -240.595 162.737 151.437 162.737 -45.3423 GPRESSURE: 537400 174.32 -100.302 243.765 -205.876 -234.435 189.577 118.753 10.6358 -117.426 PRESSAVG: 537400 10.5113 -21.3995 40.3658 -21.3996 2.93998 47.399 40.3659 47.3988 -29.6182 GPRESSAVG: 537400 11.3067 -19.979 40.1235 -23.0292 0.622646 48.2605 40.9403 50.5627 -28.0477 TIMING: 537400 CPU: 1698.62, 0.00314458/step Wall: 1698.62, 0.00314458/step, 3.89806 hours remaining, 233.343750 MB of memory in use. ENERGY: 537400 3899.1274 20430.0701 14525.0656 255.4958 -203126.2752 2526.1918 0.0000 0.0000 51858.2579 -109632.0666 298.0301 -161490.3246 -109264.5048 298.7384 -79.0863 -59.1803 762526.9664 -5.3890 -5.3728 PRESSURE: 537600 -55.2081 41.8125 -26.7008 41.8119 68.4874 -0.394832 -26.7014 -0.394072 -37.8117 GPRESSURE: 537600 -6.90476 -16.0579 -42.0647 -12.6472 -2.03953 -120.871 -3.06097 -26.4892 67.1809 PRESSAVG: 537600 -20.9942 -28.3604 44.135 -28.3604 14.8403 39.8777 44.1351 39.8778 -13.2794 GPRESSAVG: 537600 -21.8937 -28.8228 43.6797 -27.5097 16.1798 38.0857 42.2814 39.1917 -13.3282 TIMING: 537600 CPU: 1699.25, 0.00315686/step Wall: 1699.25, 0.00315686/step, 3.9131 hours remaining, 233.343750 MB of memory in use. ENERGY: 537600 3928.0446 20437.9421 14429.1613 245.8251 -203330.7201 2516.6231 0.0000 0.0000 52143.5366 -109629.5873 299.6696 -161773.1240 -109274.9821 298.4131 -8.1775 19.4122 761625.2978 -6.4778 -6.3474 PRESSURE: 537800 -83.0365 140.009 -128.927 140.01 51.5493 145.552 -128.926 145.552 7.93956 GPRESSURE: 537800 -52.5651 113.283 -92.7261 189.139 101.134 120.794 -133.383 116.532 24.8044 PRESSAVG: 537800 5.88535 -6.95879 51.1638 -6.95881 -37.1772 -5.24727 51.1637 -5.24725 0.223551 GPRESSAVG: 537800 5.07525 -8.21269 51.676 -6.58111 -37.3086 -4.97739 51.7634 -3.54111 1.4425 TIMING: 537800 CPU: 1699.88, 0.00314274/step Wall: 1699.88, 0.00314274/step, 3.89543 hours remaining, 233.343750 MB of memory in use. ENERGY: 537800 4053.4528 20386.6148 14486.4756 241.0348 -203387.0042 2700.1319 0.0000 0.0000 51977.6238 -109541.6704 298.7161 -161519.2941 -109180.4078 298.2820 -7.8492 24.4576 761524.4659 -10.3561 -10.2636 PRESSURE: 538000 -67.4108 40.0673 -65.1379 40.067 -398.222 -117.881 -65.1391 -117.881 -425.93 GPRESSURE: 538000 -42.6782 -25.4741 -47.6608 65.1118 -281.36 -146.206 -65.8966 -31.8724 -475.312 PRESSAVG: 538000 25.2684 11.3202 26.6621 11.32 -19.7603 5.20445 26.6621 5.20438 -33.2105 GPRESSAVG: 538000 26.2999 12.3452 25.3771 9.6945 -20.1637 5.43522 26.9047 2.58064 -33.9094 TIMING: 538000 CPU: 1700.51, 0.00314367/step Wall: 1700.51, 0.00314367/step, 3.8964 hours remaining, 233.343750 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: 538000 3963.2619 20331.4822 14531.9471 243.5294 -202547.4778 2104.2007 0.0000 0.0000 52149.5689 -109223.4877 299.7043 -161373.0566 -108853.4286 298.9643 -297.1874 -266.4502 762155.4212 -9.2341 -9.2577 PRESSURE: 538200 33.9034 -82.0664 -2.4909 -82.066 152.974 -22.3418 -2.49028 -22.342 174.335 GPRESSURE: 538200 89.6081 -85.0799 5.69964 -39.5072 159.602 -61.9022 -66.6962 -52.2019 187.807 PRESSAVG: 538200 12.1687 13.6147 3.83207 13.6148 -0.761385 27.211 3.83204 27.2109 -13.9251 GPRESSAVG: 538200 13.0234 12.2398 1.57766 16.0386 -2.14894 28.3001 4.55464 28.0452 -13.2474 TIMING: 538200 CPU: 1701.14, 0.00313187/step Wall: 1701.14, 0.00313187/step, 3.88161 hours remaining, 233.343750 MB of memory in use. ENERGY: 538200 3984.6722 20554.2356 14470.7271 261.6584 -203239.6287 2651.5077 0.0000 0.0000 52017.8824 -109298.9453 298.9475 -161316.8277 -108941.9174 299.0094 120.4044 145.6722 763966.0546 -0.8393 -0.7910 PRESSURE: 538400 162.773 -232.406 114.523 -232.406 211.872 77.8336 114.523 77.8333 -198.938 GPRESSURE: 538400 215.73 -140.652 117.842 -327.056 207.836 6.00879 34.6088 155.404 -174.805 PRESSAVG: 538400 85.6411 4.28214 -2.46869 4.28206 -57.9053 -64.3111 -2.46867 -64.311 -4.27038 GPRESSAVG: 538400 83.6431 6.20035 0.76667 3.15402 -54.9916 -63.9136 -3.90738 -64.3869 -4.94784 TIMING: 538400 CPU: 1701.76, 0.00313257/step Wall: 1701.76, 0.00313257/step, 3.88229 hours remaining, 233.343750 MB of memory in use. ENERGY: 538400 4084.6141 20565.9280 14472.0772 250.8498 -203490.2299 2898.8356 0.0000 0.0000 51986.5202 -109231.4049 298.7672 -161217.9252 -108876.3271 299.5441 58.5692 82.9203 763326.5245 7.8218 7.9012 PRESSURE: 538600 29.6032 36.2014 -1.68605 36.2009 -195.22 -15.8147 -1.68498 -15.8147 -421.789 GPRESSURE: 538600 24.942 -31.3587 -43.9526 87.786 -130.45 -23.8603 186.811 35.0196 -421.406 PRESSAVG: 538600 14.3088 0.792285 14.5894 0.79227 -22.4759 -44.4795 14.5894 -44.4795 -27.0817 GPRESSAVG: 538600 15.4889 -1.17168 14.2431 1.45074 -22.7148 -45.7803 15.5781 -43.0374 -28.1488 TIMING: 538600 CPU: 1702.39, 0.00312674/step Wall: 1702.39, 0.00312674/step, 3.8749 hours remaining, 233.343750 MB of memory in use. ENERGY: 538600 3982.6890 20576.5228 14429.3591 252.7031 -203057.2872 2507.0461 0.0000 0.0000 52262.8874 -109046.0797 300.3555 -161308.9670 -108685.1700 299.8092 -195.8019 -175.6379 762883.8788 -11.7496 -11.7916 PRESSURE: 538800 -86.2542 119.606 76.2556 119.606 43.2106 -14.0304 76.2547 -14.0296 -217.757 GPRESSURE: 538800 -42.5753 167.634 38.9646 74.8475 128.585 -122.796 110.763 -33.5081 -256.297 PRESSAVG: 538800 56.4238 -35.5217 32.6819 -35.5217 -32.1021 -4.7273 32.6818 -4.72724 13.2735 GPRESSAVG: 538800 56.6077 -33.4074 31.8569 -35.4358 -32.7846 -4.03093 33.3107 -5.94365 13.8358 TIMING: 538800 CPU: 1703.02, 0.00315324/step Wall: 1703.02, 0.00315324/step, 3.90757 hours remaining, 233.343750 MB of memory in use. ENERGY: 538800 3996.1190 20497.3575 14534.3294 257.6438 -203255.5106 2575.7654 0.0000 0.0000 52105.3637 -109288.9318 299.4502 -161394.2955 -108922.6941 299.8715 -86.9336 -56.7625 764557.9852 12.5318 12.5530 PRESSURE: 539000 -199.032 -55.656 232.186 -55.6562 -140.783 129.821 232.185 129.821 1.15648 GPRESSURE: 539000 -173.871 -36.3043 263.144 -58.2904 -128.895 90.0346 168.629 157.233 43.9025 PRESSAVG: 539000 6.71804 19.5313 38.4262 19.5314 -8.90533 -20.0621 38.4262 -20.0621 2.16326 GPRESSAVG: 539000 6.9677 18.6346 38.8555 20.1909 -10.1995 -21.7708 34.8745 -18.0103 3.20961 TIMING: 539000 CPU: 1703.65, 0.00315851/step Wall: 1703.65, 0.00315851/step, 3.91392 hours remaining, 233.343750 MB of memory in use. ENERGY: 539000 3957.9005 20615.6409 14523.0827 248.1020 -203216.2434 2742.6544 0.0000 0.0000 51882.2365 -109246.6264 298.1679 -161128.8629 -108884.8511 299.1880 -112.8860 -86.2877 764727.6163 -0.0080 -0.0074 PRESSURE: 539200 300.446 -91.5857 -209.107 -91.5858 260.02 -175.63 -209.107 -175.63 -54.2219 GPRESSURE: 539200 374.793 -160.198 -240.448 -22.0306 365.673 -163.692 -158.224 -106.242 -149.837 PRESSAVG: 539200 27.7925 2.47055 -48.6599 2.47052 -26.4174 -46.7691 -48.6599 -46.7691 -15.0936 GPRESSAVG: 539200 27.0175 2.86398 -46.9159 3.08161 -25.078 -45.5559 -48.6992 -46.954 -15.7975 TIMING: 539200 CPU: 1704.28, 0.00315419/step Wall: 1704.28, 0.00315419/step, 3.90839 hours remaining, 233.343750 MB of memory in use. ENERGY: 539200 3902.0383 20485.9717 14511.0355 265.8945 -203177.8731 2659.8026 0.0000 0.0000 52169.3562 -109183.7742 299.8180 -161353.1305 -108825.2824 298.7984 168.7480 196.8764 761708.0095 -4.5728 -4.6193 PRESSURE: 539400 -58.7145 21.0284 -143.574 21.0282 -596.845 37.4553 -143.574 37.4555 -264.939 GPRESSURE: 539400 -129.169 23.1169 -154.95 -27.8504 -456.218 6.94169 -87.5631 57.1787 -249.557 PRESSAVG: 539400 100.482 -1.88279 -87.5824 -1.88289 -121.62 -3.90347 -87.5824 -3.9034 -22.3957 GPRESSAVG: 539400 100.657 -1.05125 -89.0716 -3.10383 -120.734 -3.99696 -87.1024 -7.17171 -22.8456 TIMING: 539400 CPU: 1704.91, 0.00314042/step Wall: 1704.91, 0.00314042/step, 3.89116 hours remaining, 233.343750 MB of memory in use. ENERGY: 539400 4030.4085 20399.8779 14538.2034 244.8316 -202517.1167 2162.7403 0.0000 0.0000 51972.2153 -109168.8398 298.6850 -161141.0551 -108804.4626 299.5454 -306.8327 -278.3145 763326.2182 -14.5114 -14.3076 PRESSURE: 539600 -272.681 -25.8698 263.224 -25.8697 -71.5966 -0.255306 263.225 -0.255082 71.482 GPRESSURE: 539600 -305.783 -98.7197 254.416 -93.5249 21.8265 -40.2237 304.32 131.669 66.477 PRESSAVG: 539600 32.2679 18.5582 -6.59201 18.5582 -27.6536 -18.591 -6.592 -18.5911 -16.525 GPRESSAVG: 539600 32.9026 17.2109 -6.53263 19.4751 -27.7492 -18.5792 -3.09896 -16.4919 -17.0657 TIMING: 539600 CPU: 1705.54, 0.00313693/step Wall: 1705.54, 0.00313693/step, 3.88666 hours remaining, 233.343750 MB of memory in use. ENERGY: 539600 3992.3940 20569.2460 14535.0807 247.7932 -203218.4263 2785.7671 0.0000 0.0000 52069.7597 -109018.3855 299.2456 -161088.1453 -108659.9781 299.9171 -90.9320 -72.4931 763607.5374 -3.9702 -3.9708 PRESSURE: 539800 135.43 252.173 51.3299 252.173 0.765924 -99.2097 51.3306 -99.2102 279.386 GPRESSURE: 539800 126.486 142.94 19.6337 249.489 -72.6551 -30.3295 76.0773 -98.0513 416.368 PRESSAVG: 539800 -2.92734 33.9369 14.5512 33.9369 -35.0012 -6.07669 14.5513 -6.07662 2.9204 GPRESSAVG: 539800 -5.0782 32.4118 13.951 32.9334 -35.0465 -7.49408 11.237 -4.94466 4.60326 TIMING: 539800 CPU: 1706.17, 0.00315775/step Wall: 1706.17, 0.00315775/step, 3.91228 hours remaining, 233.343750 MB of memory in use. ENERGY: 539800 3975.4625 20625.0603 14574.2513 239.8932 -203168.7661 2766.5117 0.0000 0.0000 52071.6265 -108915.9604 299.2564 -160987.5870 -108561.5434 299.6568 138.5272 156.7331 763746.1873 -11.6694 -11.8405 PRESSURE: 540000 196.645 -291.077 64.3903 -291.078 -27.2283 250.94 64.3912 250.939 -318.452 GPRESSURE: 540000 226.566 -350.254 78.2974 -217.006 53.8327 221.584 -21.2646 163.917 -339.119 PRESSAVG: 540000 -4.43139 13.0419 1.16698 13.0419 10.5331 -24.8428 1.16696 -24.8429 -0.0080407 GPRESSAVG: 540000 -1.83377 14.244 1.44211 14.1514 9.45928 -23.9388 2.31473 -26.4935 -1.30893 TIMING: 540000 CPU: 1706.8, 0.00316192/step Wall: 1706.8, 0.00316192/step, 3.91727 hours remaining, 233.343750 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: 540000 4022.4234 20432.3509 14479.3836 233.3949 -203028.4585 2618.4585 0.0000 0.0000 52144.9010 -109097.5463 299.6775 -161242.4473 -108735.3540 299.9000 -49.6783 -19.5733 763555.8462 2.0312 2.1055 PRESSURE: 540200 15.4396 186.871 80.2894 186.871 -64.6631 -147 80.2892 -147 -58.6393 GPRESSURE: 540200 54.8475 206.288 29.194 113.078 -27.304 -200.165 -30.0516 -306.672 -37.6881 PRESSAVG: 540200 41.6978 -13.2879 9.06691 -13.2879 0.43761 -9.12429 9.06693 -9.12427 6.51607 GPRESSAVG: 540200 40.5767 -11.8527 8.07809 -15.5971 1.06075 -10.1304 6.794 -8.59162 6.5302 TIMING: 540200 CPU: 1707.43, 0.00314673/step Wall: 1707.43, 0.00314673/step, 3.89828 hours remaining, 233.343750 MB of memory in use. ENERGY: 540200 3983.3449 20593.5143 14572.4144 243.2744 -203102.8894 2567.2172 0.0000 0.0000 52080.9323 -109062.1919 299.3098 -161143.1242 -108695.6390 299.8471 -35.9542 -3.3815 761201.9751 16.2172 16.0559 LDB: ============= START OF LOAD BALANCING ============== 1719.96 LDB: ============== END OF LOAD BALANCING =============== 1719.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1719.96 LDB: ============= START OF LOAD BALANCING ============== 1720.28 LDB: Largest compute 7032 load 0.030262 is 15.5% of average load 0.195204 LDB: Average compute 0.004388 is 2.2% of average load 0.195204 LDB: TIME 1720.28 LOAD: AVG 0.195204 MAX 0.21366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.09 MB LDB: TIME 1720.28 LOAD: AVG 0.195204 MAX 0.21366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.148 MB LDB: TIME 1720.28 LOAD: AVG 0.195204 MAX 0.21366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.148 MB LDB: ============== END OF LOAD BALANCING =============== 1720.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1720.29 PRESSURE: 540400 59.589 -126.859 -220.517 -126.859 -245.302 -267.289 -220.518 -267.289 -583.808 GPRESSURE: 540400 38.3051 -141.575 -293.792 -131.155 -168.746 -237.698 -127.33 -359.137 -531.254 PRESSAVG: 540400 78.4923 33.936 -30.0291 33.9361 -114.63 -37.6884 -30.0291 -37.6884 -13.0425 GPRESSAVG: 540400 77.9219 32.3703 -28.6549 34.1137 -113.214 -38.4231 -29.8227 -35.6419 -13.0326 TIMING: 540400 CPU: 1708.07, 0.00320598/step Wall: 1708.07, 0.00320598/step, 3.9715 hours remaining, 232.355469 MB of memory in use. ENERGY: 540400 4006.4160 20540.8740 14532.3096 232.6105 -202938.6053 2344.4312 0.0000 0.0000 52410.9824 -108870.9815 301.2066 -161281.9640 -108508.7496 300.0195 -256.5069 -220.5650 763939.9335 -16.3936 -16.1082 PRESSURE: 540600 195.84 21.41 -259.39 21.4105 -17.6252 -7.30802 -259.391 -7.30877 234.646 GPRESSURE: 540600 245.282 70.2555 -211.318 57.953 4.55057 -18.5682 -196.853 25.1965 251.936 PRESSAVG: 540600 65.4571 -34.5827 -5.8567 -34.5827 -25.3577 -50.6963 -5.85667 -50.6963 -2.68612 GPRESSAVG: 540600 65.2387 -35.1928 -5.92879 -33.2012 -25.9897 -49.1385 -5.79538 -54.1554 -1.68143 TIMING: 540600 CPU: 1708.7, 0.00313867/step Wall: 1708.7, 0.00313867/step, 3.88794 hours remaining, 232.558594 MB of memory in use. ENERGY: 540600 3987.6772 20554.2687 14556.5484 245.6813 -203173.2023 2613.3987 0.0000 0.0000 52126.0497 -109089.5784 299.5691 -161215.6280 -108710.7439 300.0644 137.6201 167.2563 761870.7158 12.4711 12.5225 PRESSURE: 540800 -163.346 143.196 221.501 143.196 -178.705 -163.108 221.501 -163.108 -232.26 GPRESSURE: 540800 -113.196 89.4781 162.784 129.542 -94.9707 -128.521 190.438 -108.824 -271.89 PRESSAVG: 540800 27.3399 -48.2086 -3.84339 -48.2086 -107.867 -13.9726 -3.84345 -13.9725 19.2349 GPRESSAVG: 540800 28.6954 -47.6828 -2.67379 -48.5384 -107.116 -12.7336 -2.37237 -13.4182 17.8565 TIMING: 540800 CPU: 1709.33, 0.00314412/step Wall: 1709.33, 0.00314412/step, 3.89452 hours remaining, 232.558594 MB of memory in use. ENERGY: 540800 3966.4819 20640.1409 14448.0862 240.0027 -202505.7875 2301.5477 0.0000 0.0000 51873.5166 -109036.0113 298.1178 -160909.5279 -108678.8615 299.4961 -191.4369 -160.0190 764640.0814 -20.4306 -20.1880 PRESSURE: 541000 -219.59 -66.6426 213.449 -66.6426 -306.244 -28.932 213.448 -28.9319 -225.939 GPRESSURE: 541000 -189.909 -57.3939 242.303 -101.206 -334.948 -38.1366 251.934 -3.58081 -151.23 PRESSAVG: 541000 78.5346 15.7637 8.59719 15.7636 -30.4585 -24.4285 8.59716 -24.4284 -8.03304 GPRESSAVG: 541000 78.3149 13.6326 7.51441 15.8035 -32.1111 -25.3756 6.86679 -22.7659 -6.42684 TIMING: 541000 CPU: 1709.96, 0.00315534/step Wall: 1709.96, 0.00315534/step, 3.90824 hours remaining, 232.558594 MB of memory in use. ENERGY: 541000 4032.1557 20478.0295 14510.2603 233.0717 -203014.0599 2283.4954 0.0000 0.0000 52417.5971 -109059.4502 301.2447 -161477.0473 -108695.0187 299.7323 -250.5911 -225.3626 762470.8115 13.3477 13.2590 PRESSURE: 541200 56.9314 -228.413 -250.02 -228.413 21.1494 -62.3637 -250.019 -62.3628 -427.88 GPRESSURE: 541200 144.953 -156.246 -194.6 -225.992 -12.6416 -56.1343 -147.46 -31.6089 -401.724 PRESSAVG: 541200 53.6529 -12.1551 42.9991 -12.1551 -6.70479 -1.31637 42.9991 -1.31633 6.98211 GPRESSAVG: 541200 54.4631 -9.2224 43.0444 -13.4152 -5.43753 -1.43408 44.0587 -1.95225 5.73934 TIMING: 541200 CPU: 1710.59, 0.00315136/step Wall: 1710.59, 0.00315136/step, 3.90313 hours remaining, 232.558594 MB of memory in use. ENERGY: 541200 4063.7242 20709.2025 14562.8739 240.4493 -203405.8055 2866.4947 0.0000 0.0000 51961.8916 -109001.1693 298.6257 -160963.0609 -108642.1711 299.7732 -116.5998 -89.8042 761379.0910 17.9768 18.2550 PRESSURE: 541400 -50.7997 39.5787 0.926412 39.5782 -4.80616 244.379 0.927017 244.38 -96.1795 GPRESSURE: 541400 -88.3842 -58.4078 -98.3283 -4.27945 77.5159 246.981 40.9448 210.655 -72.8696 PRESSAVG: 541400 17.0157 -27.0331 -44.2107 -27.033 -31.3707 -2.58875 -44.2107 -2.58879 -8.9751 GPRESSAVG: 541400 16.459 -27.6206 -44.1438 -26.0304 -32.4366 -3.66058 -43.9038 -3.40759 -7.29287 TIMING: 541400 CPU: 1711.22, 0.00315429/step Wall: 1711.22, 0.00315429/step, 3.90659 hours remaining, 232.558594 MB of memory in use. ENERGY: 541400 3956.9895 20771.8953 14522.4969 259.0638 -203222.7433 2655.2363 0.0000 0.0000 52057.9228 -108999.1386 299.1776 -161057.0613 -108643.0352 299.5274 -50.5951 -27.9126 763312.9697 -7.7767 -7.7568 PRESSURE: 541600 -74.1927 46.9063 -111.105 46.9072 -87.5392 -149.233 -111.104 -149.232 -30.5354 GPRESSURE: 541600 -90.4454 -72.3927 -101.937 27.1359 -52.1794 -132.718 -93.573 -100.546 36.1266 PRESSAVG: 541600 9.87428 2.88841 -13.6406 2.88837 14.6412 18.6372 -13.6406 18.6371 8.46603 GPRESSAVG: 541600 9.83516 4.30969 -14.6545 1.46697 15.7477 17.6207 -12.9231 19.7808 7.60581 TIMING: 541600 CPU: 1711.85, 0.00317061/step Wall: 1711.85, 0.00317061/step, 3.92662 hours remaining, 232.558594 MB of memory in use. ENERGY: 541600 4014.9514 20525.5969 14454.3750 247.3872 -203154.4111 2756.9648 0.0000 0.0000 52105.1717 -109049.9642 299.4491 -161155.1359 -108681.4478 299.6642 -64.0891 -35.4994 763762.3457 10.9938 11.0629 PRESSURE: 541800 -113.234 87.7091 154.507 87.7093 167.979 84.3321 154.507 84.331 -87.5604 GPRESSURE: 541800 -2.33397 106.143 141.939 -10.8178 125.049 -10.0795 112.484 139.399 -69.2233 PRESSAVG: 541800 -11.756 28.1812 0.665591 28.1812 40.0427 31.4594 0.665615 31.4594 -22.6914 GPRESSAVG: 541800 -12.3241 26.5731 1.31394 29.5954 40.134 30.7279 1.73625 31.7629 -22.4269 TIMING: 541800 CPU: 1712.49, 0.00316398/step Wall: 1712.49, 0.00316398/step, 3.91824 hours remaining, 232.558594 MB of memory in use. ENERGY: 541800 3881.0674 20458.3898 14479.8058 240.4689 -203121.0721 2657.6265 0.0000 0.0000 52360.9007 -109042.8130 300.9188 -161403.7137 -108660.3002 300.1517 -10.9386 17.8306 762644.6268 1.8651 1.7943 PRESSURE: 542000 -121.314 88.6529 -123.94 88.653 -166.011 -96.0649 -123.94 -96.0636 -209.453 GPRESSURE: 542000 -65.6418 156.674 -173.465 45.6404 -123.694 -107.182 -144.501 -44.1064 -214.479 PRESSAVG: 542000 -25.4343 -48.8837 -7.39989 -48.8837 20.5933 3.23033 -7.3999 3.23033 3.6761 GPRESSAVG: 542000 -25.0669 -48.3627 -8.52173 -49.0254 20.3893 4.7654 -7.41674 2.37761 3.59984 TIMING: 542000 CPU: 1713.12, 0.00315805/step Wall: 1713.12, 0.00315805/step, 3.91072 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: 542000 3929.3398 20527.3269 14570.9638 246.8416 -203147.0524 2394.9694 0.0000 0.0000 52261.2616 -109216.3494 300.3462 -161477.6110 -108854.0596 299.6393 -165.5927 -134.6052 761276.7217 -0.3883 -0.3593 PRESSURE: 542200 173.662 96.7103 293.384 96.7105 -69.4824 -137.534 293.383 -137.534 -99.1928 GPRESSURE: 542200 121.539 80.8993 240.326 35.5854 18.6912 -156.445 310.096 -185.917 -35.6391 PRESSAVG: 542200 22.4957 4.40909 38.7305 4.40909 -8.90376 0.777882 38.7305 0.777848 9.39266 GPRESSAVG: 542200 22.0104 4.61558 39.5213 4.54327 -8.45092 -0.24944 37.7099 -0.140139 8.87237 TIMING: 542200 CPU: 1713.75, 0.00313527/step Wall: 1713.75, 0.00313527/step, 3.88233 hours remaining, 232.558594 MB of memory in use. ENERGY: 542200 3959.5835 20578.7024 14525.5320 241.7375 -203257.5298 2684.6772 0.0000 0.0000 52077.6824 -109189.6148 299.2912 -161267.2972 -108826.1565 299.4606 1.6624 34.8638 760833.6295 7.6615 7.4773 PRESSURE: 542400 -554.656 -55.5636 -51.6118 -55.5643 76.9833 -6.89349 -51.6129 -6.89301 -387.557 GPRESSURE: 542400 -497.959 18.037 -90.2742 -93.2777 78.9548 30.0653 -48.6007 -102.369 -358.796 PRESSAVG: 542400 -49.9949 31.6599 12.3816 31.6599 8.3097 -21.9154 12.3816 -21.9154 11.1051 GPRESSAVG: 542400 -49.1734 28.3292 13.5266 32.0145 8.35966 -21.1397 9.68858 -22.4667 10.3951 TIMING: 542400 CPU: 1714.38, 0.00316561/step Wall: 1714.38, 0.00316561/step, 3.91973 hours remaining, 232.558594 MB of memory in use. ENERGY: 542400 4077.1321 20427.9921 14434.5047 254.0876 -203302.2201 2535.4232 0.0000 0.0000 52093.5215 -109479.5588 299.3822 -161573.0804 -109109.3102 299.2037 -288.4101 -259.2666 762054.0933 -10.1934 -10.1396 PRESSURE: 542600 -208.239 39.2941 166.715 39.2942 175.327 14.6207 166.715 14.6206 -235.12 GPRESSURE: 542600 -161.458 31.1097 148.642 2.3747 162.113 -15.7812 335.806 87.5437 -200.418 PRESSAVG: 542600 -58.434 26.6684 38.4692 26.6685 -2.14708 39.8582 38.4693 39.8582 -24.2165 GPRESSAVG: 542600 -59.2653 28.4422 38.7327 27.9843 -2.45984 39.0965 40.031 41.6919 -22.8308 TIMING: 542600 CPU: 1715.01, 0.00316206/step Wall: 1715.01, 0.00316206/step, 3.91516 hours remaining, 232.558594 MB of memory in use. ENERGY: 542600 3974.1049 20513.7100 14565.0596 229.4614 -203545.3851 2844.7205 0.0000 0.0000 51717.5412 -109700.7874 297.2214 -161418.3286 -109338.8517 298.6758 -89.3441 -66.5878 762091.0118 -28.2659 -28.1853 PRESSURE: 542800 -198.936 39.5376 20.4801 39.5372 -87.7725 79.2584 20.4803 79.2586 -291.555 GPRESSURE: 542800 -113.878 234.131 77.8313 -38.3088 -105.642 87.869 -1.95609 87.8299 -259.125 PRESSAVG: 542800 9.08257 23.7795 24.9792 23.7795 -21.6033 0.185545 24.9793 0.185515 -6.27795 GPRESSAVG: 542800 9.14822 24.5384 25.2568 19.3623 -22.2936 -0.522877 24.3374 0.726154 -5.79428 TIMING: 542800 CPU: 1715.64, 0.00316986/step Wall: 1715.64, 0.00316986/step, 3.92463 hours remaining, 232.558594 MB of memory in use. ENERGY: 542800 3964.6330 20460.9958 14506.8995 238.0397 -203705.0788 2740.7180 0.0000 0.0000 52150.0377 -109643.7551 299.7070 -161793.7928 -109288.8956 298.7064 -192.7544 -159.5482 760659.4182 -6.2662 -6.3132 PRESSURE: 543000 99.2991 44.3373 -87.2633 44.3374 -54.2993 -112.373 -87.2626 -112.374 -369.413 GPRESSURE: 543000 115.114 42.3241 -70.7374 98.8838 -42.3553 -131.482 -192.818 -127.937 -298.419 PRESSAVG: 543000 10.517 -8.65031 -43.1451 -8.65029 0.488063 -13.1694 -43.1451 -13.1694 -5.46272 GPRESSAVG: 543000 11.6681 -8.65606 -44.2815 -6.168 0.214288 -12.9102 -44.2627 -11.7608 -5.49692 TIMING: 543000 CPU: 1716.27, 0.00314682/step Wall: 1716.27, 0.00314682/step, 3.89594 hours remaining, 232.558594 MB of memory in use. ENERGY: 543000 4041.7299 20405.4322 14524.4630 235.6779 -203609.3463 2658.9004 0.0000 0.0000 52034.0108 -109709.1321 299.0402 -161743.1429 -109354.6381 298.9916 -108.1378 -75.2201 759842.6365 1.8474 2.1285 PRESSURE: 543200 212.79 -119.029 -222.957 -119.03 53.5732 94.1488 -222.957 94.1485 253.789 GPRESSURE: 543200 122.221 -168.277 -167.986 -136.027 145.173 146.324 -284.12 27.2468 330.939 PRESSAVG: 543200 21.7517 -55.0082 -11.6071 -55.0082 -32.6092 -14.1838 -11.6071 -14.1839 9.15934 GPRESSAVG: 543200 21.0175 -54.505 -13.7692 -56.4836 -31.3161 -12.5819 -8.84752 -16.8016 8.42488 TIMING: 543200 CPU: 1716.91, 0.00315664/step Wall: 1716.91, 0.00315664/step, 3.90792 hours remaining, 232.558594 MB of memory in use. ENERGY: 543200 3921.7636 20415.8030 14483.2166 265.9402 -203385.7993 2552.4795 0.0000 0.0000 52014.3596 -109732.2368 298.9272 -161746.5964 -109368.7282 299.0312 173.3841 199.4441 760396.8178 -0.5661 -0.6246 PRESSURE: 543400 43.8002 -15.5658 127.363 -15.5661 -57.7872 65.6713 127.363 65.6715 -75.2857 GPRESSURE: 543400 99.1326 0.368424 118.101 -78.3732 -7.49983 41.865 104.34 86.9034 -95.1157 PRESSAVG: 543400 -35.5871 -31.4025 -29.3549 -31.4025 36.5986 48.0206 -29.3549 48.0207 -3.06081 GPRESSAVG: 543400 -35.3793 -33.0609 -28.5218 -29.1952 36.3011 46.8016 -29.6686 49.9173 -3.21991 TIMING: 543400 CPU: 1717.54, 0.00315515/step Wall: 1717.54, 0.00315515/step, 3.9059 hours remaining, 232.558594 MB of memory in use. ENERGY: 543400 3971.2171 20542.1245 14415.8985 241.1193 -203366.1177 2458.5730 0.0000 0.0000 51979.8029 -109757.3824 298.7286 -161737.1853 -109397.9988 298.8397 -29.7576 -1.1610 761758.3757 -0.6831 -0.7661 PRESSURE: 543600 171.555 -42.5443 -252.111 -42.544 142.418 143.555 -252.111 143.555 38.1089 GPRESSURE: 543600 246.449 33.8663 -238.345 -13.2455 113.331 107.803 -189.219 146.502 86.923 PRESSAVG: 543600 18.9891 -19.2267 -26.5138 -19.2267 -1.73499 44.542 -26.5138 44.5419 -4.36616 GPRESSAVG: 543600 17.7259 -18.1704 -26.149 -22.2243 -0.651854 45.1019 -26.2205 43.7939 -3.88515 TIMING: 543600 CPU: 1718.17, 0.00316047/step Wall: 1718.17, 0.00316047/step, 3.91231 hours remaining, 232.558594 MB of memory in use. ENERGY: 543600 4012.9309 20615.0751 14467.2443 259.3331 -203911.5612 2904.5307 0.0000 0.0000 51977.7169 -109674.7302 298.7167 -161652.4471 -109319.3008 298.7008 117.3608 148.9010 760144.7708 4.2960 4.3963 PRESSURE: 543800 85.4139 96.9324 -97.8089 96.932 -205.352 50.9119 -97.8087 50.9118 -66.8041 GPRESSURE: 543800 129.968 23.1435 4.83747 145.346 -209.84 38.632 -206.254 74.577 -28.6733 PRESSAVG: 543800 -23.5001 -21.4579 -0.367161 -21.4579 -28.9019 -12.7585 -0.367083 -12.7585 18.2312 GPRESSAVG: 543800 -22.3839 -22.0147 1.70942 -20.855 -30.5615 -12.6852 -1.05618 -13.7545 18.6329 TIMING: 543800 CPU: 1718.8, 0.00316174/step Wall: 1718.8, 0.00316174/step, 3.9137 hours remaining, 232.558594 MB of memory in use. ENERGY: 543800 4047.2489 20449.0768 14552.7519 254.5847 -203583.3958 2775.2448 0.0000 0.0000 51932.0363 -109572.4524 298.4541 -161504.4886 -109222.2457 298.6379 -62.2473 -36.1815 762339.1798 -11.3903 -11.4375 PRESSURE: 544000 221.112 96.6757 169.418 96.6767 -269.261 -41.7835 169.417 -41.7835 263.396 GPRESSURE: 544000 239.804 100.074 164.483 134.872 -194.865 -1.44936 77.2727 -70.1398 257.435 PRESSAVG: 544000 44.9427 -25.065 56.0393 -25.065 -30.5654 -28.5769 56.0393 -28.5769 -19.4408 GPRESSAVG: 544000 45.1399 -24.1381 54.4905 -25.4601 -28.8215 -29.6133 55.9878 -27.7235 -20.8834 TIMING: 544000 CPU: 1719.43, 0.00316822/step Wall: 1719.43, 0.00316822/step, 3.92155 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: 544000 3917.1594 20560.4647 14604.6851 239.4377 -203827.6357 2855.0130 0.0000 0.0000 52093.2088 -109557.6670 299.3804 -161650.8758 -109197.3879 299.1430 71.7492 100.7912 761412.6401 -1.6878 -1.5217 PRESSURE: 544200 236.558 119.744 97.3543 119.745 -36.0464 103.381 97.3546 103.381 149.103 GPRESSURE: 544200 208.744 43.935 117.382 87.526 31.6738 152.57 156.502 244.598 200.412 PRESSAVG: 544200 64.6693 27.7494 13.9596 27.7495 -55.2943 17.4781 13.9596 17.4781 12.474 GPRESSAVG: 544200 63.4158 23.7749 13.6548 30.1004 -54.8668 17.5307 13.6519 17.7326 12.6657 TIMING: 544200 CPU: 1720.06, 0.00314961/step Wall: 1720.06, 0.00314961/step, 3.89834 hours remaining, 232.558594 MB of memory in use. ENERGY: 544200 3941.8288 20457.2955 14524.2224 256.4400 -203321.3119 2625.3665 0.0000 0.0000 52135.1758 -109380.9828 299.6216 -161516.1586 -109015.2487 298.9186 116.5383 146.9433 761092.7913 7.2830 7.0715 LDB: ============= START OF LOAD BALANCING ============== 1732.6 LDB: ============== END OF LOAD BALANCING =============== 1732.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1732.6 LDB: ============= START OF LOAD BALANCING ============== 1732.91 LDB: Largest compute 7068 load 0.031034 is 15.9% of average load 0.195189 LDB: Average compute 0.004385 is 2.2% of average load 0.195189 LDB: TIME 1732.92 LOAD: AVG 0.195189 MAX 0.212607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.148 MB LDB: TIME 1732.92 LOAD: AVG 0.195189 MAX 0.212607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.148 MB LDB: TIME 1732.92 LOAD: AVG 0.195189 MAX 0.212607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.148 MB LDB: ============== END OF LOAD BALANCING =============== 1732.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1732.92 PRESSURE: 544400 -171.034 -22.3464 -285.586 -22.3466 7.72568 -6.71843 -285.586 -6.71794 186.186 GPRESSURE: 544400 -148.113 -6.83512 -288.834 42.0106 32.3944 31.6148 -363.562 180.511 209.036 PRESSAVG: 544400 65.3754 -6.17003 9.643 -6.17001 -63.703 29.0059 9.64297 29.0058 -14.0673 GPRESSAVG: 544400 66.2567 -3.0058 11.4206 -8.20223 -65.3451 31.7518 9.79782 28.8546 -13.302 TIMING: 544400 CPU: 1720.71, 0.00320576/step Wall: 1720.71, 0.00320576/step, 3.96767 hours remaining, 233.125000 MB of memory in use. ENERGY: 544400 4010.3591 20587.6377 14470.5633 258.5599 -203073.9830 2368.5981 0.0000 0.0000 51888.8767 -109489.3882 298.2061 -161378.2649 -109130.9541 298.7090 7.6261 31.1058 762397.2747 -4.1316 -4.1301 PRESSURE: 544600 -210.999 -62.0004 117.187 -62.001 -177.841 -9.179 117.187 -9.17844 205.288 GPRESSURE: 544600 -146.218 -189.906 106.807 -75.1948 -85.4098 -17.6986 108.692 24.6407 118.313 PRESSAVG: 544600 -2.57197 28.8358 23.3712 28.8357 -27.7024 14.9211 23.3712 14.9212 13.1254 GPRESSAVG: 544600 -2.06388 27.4818 22.7464 31.4819 -27.2742 12.7017 22.4945 13.8838 12.1825 TIMING: 544600 CPU: 1721.34, 0.00316202/step Wall: 1721.34, 0.00316202/step, 3.91336 hours remaining, 233.125000 MB of memory in use. ENERGY: 544600 4041.1360 20497.2155 14541.9819 237.7350 -203361.0377 2702.7317 0.0000 0.0000 52153.6360 -109186.6017 299.7277 -161340.2377 -108831.2092 299.7329 -61.1839 -37.7717 760892.8419 -5.7163 -5.7186 PRESSURE: 544800 296.835 7.36054 -100.341 7.36025 292.735 -96.5063 -100.34 -96.5074 527.592 GPRESSURE: 544800 243.449 11.3134 -147.017 -37.8428 467.209 -120.619 -81.658 -34.9977 490.264 PRESSAVG: 544800 -3.83383 -10.6547 -47.5039 -10.6547 -0.279977 -11.0553 -47.5038 -11.0553 -5.99077 GPRESSAVG: 544800 -4.16832 -10.5844 -48.1377 -15.1128 0.230768 -10.2745 -47.4146 -10.5868 -6.00052 TIMING: 544800 CPU: 1721.97, 0.00315671/step Wall: 1721.97, 0.00315671/step, 3.90661 hours remaining, 233.125000 MB of memory in use. ENERGY: 544800 3945.7584 20593.1014 14502.9528 249.3351 -203161.7755 2569.0127 0.0000 0.0000 52054.1850 -109247.4300 299.1561 -161301.6151 -108892.1715 299.5714 372.3875 400.3076 760229.8925 -3.3682 -3.3127 PRESSURE: 545000 150.303 -251.965 -70.8696 -251.965 -13.1861 29.0135 -70.8691 29.0134 206.144 GPRESSURE: 545000 191.63 -168.141 -84.8317 -255.17 -19.3544 39.3662 -183.788 -0.171137 248.849 PRESSAVG: 545000 30.8183 -13.5809 9.7961 -13.5809 4.35148 40.5463 9.79613 40.5462 2.57281 GPRESSAVG: 545000 30.8795 -12.5409 10.4496 -12.0843 4.13331 39.3107 11.0455 41.4324 2.84081 TIMING: 545000 CPU: 1722.6, 0.00314536/step Wall: 1722.6, 0.00314536/step, 3.89238 hours remaining, 233.125000 MB of memory in use. ENERGY: 545000 4020.4240 20594.0488 14546.0459 244.7977 -202995.0360 2535.7255 0.0000 0.0000 52065.3705 -108988.6237 299.2204 -161053.9941 -108622.8018 299.9239 114.4201 140.3750 759772.9250 12.5809 12.6179 PRESSURE: 545200 -205.145 -18.4161 -352.13 -18.4158 -384.497 134.273 -352.13 134.274 -611.051 GPRESSURE: 545200 -162.562 12.5196 -301.246 34.9736 -361.684 93.6896 -274.647 67.2295 -590.989 PRESSAVG: 545200 -14.6607 -1.71551 -34.2304 -1.7155 31.1492 -19.5159 -34.2304 -19.5159 -8.39097 GPRESSAVG: 545200 -14.0762 -4.25333 -33.414 -0.401351 31.3708 -17.8057 -33.6452 -20.4826 -8.86176 TIMING: 545200 CPU: 1723.23, 0.00315378/step Wall: 1723.23, 0.00315378/step, 3.90262 hours remaining, 233.125000 MB of memory in use. ENERGY: 545200 3939.1999 20483.6650 14498.9918 267.3742 -203088.4041 2249.5494 0.0000 0.0000 52413.8519 -109235.7719 301.2231 -161649.6238 -108867.0505 300.0447 -400.2307 -371.7452 760533.7021 2.6992 2.8109 PRESSURE: 545400 -45.4019 216.478 -36.8626 216.478 60.6741 -181.846 -36.8623 -181.846 -177.899 GPRESSURE: 545400 77.4949 239.01 77.2535 127.243 67.3702 -123.166 -74.5822 -124.173 -219.813 PRESSAVG: 545400 -18.4062 -8.43632 -6.86149 -8.43634 52.7857 15.3296 -6.86144 15.3296 11.1526 GPRESSAVG: 545400 -20.312 -5.90159 -8.0448 -8.52506 54.6769 14.8952 -5.91382 15.449 11.1779 TIMING: 545400 CPU: 1723.86, 0.0031529/step Wall: 1723.86, 0.0031529/step, 3.90136 hours remaining, 233.125000 MB of memory in use. ENERGY: 545400 4010.4415 20444.4307 14499.6833 262.2047 -203219.3442 2571.6766 0.0000 0.0000 52160.2901 -109270.6173 299.7659 -161430.9074 -108904.6929 299.5781 -54.2089 -24.9826 760402.7159 15.1774 15.1809 PRESSURE: 545600 -61.0088 178.313 266.205 178.313 -82.997 -171.015 266.205 -171.016 -153.468 GPRESSURE: 545600 -23.3724 181.007 158.665 219.821 -49.5136 -219.22 297.959 -44.5502 -146.103 PRESSAVG: 545600 20.6869 18.0047 -41.0991 18.0048 -24.7146 -5.2557 -41.0991 -5.25564 22.9616 GPRESSAVG: 545600 22.0903 16.2735 -39.3605 18.1556 -26.5366 -5.01716 -43.2967 -3.88283 23.6846 TIMING: 545600 CPU: 1724.49, 0.00314189/step Wall: 1724.49, 0.00314189/step, 3.88756 hours remaining, 233.125000 MB of memory in use. ENERGY: 545600 4014.0838 20567.0004 14507.2037 242.9992 -203621.2924 2829.8906 0.0000 0.0000 52156.7396 -109303.3752 299.7455 -161460.1148 -108948.9042 298.9735 -99.1580 -72.9964 759714.1735 6.3113 6.4128 PRESSURE: 545800 30.8948 -58.0176 -298.654 -58.0171 -95.2223 -113.377 -298.655 -113.377 -249.267 GPRESSURE: 545800 -31.0883 -104.264 -258.776 -5.60782 -19.7002 -142.038 -225.527 -51.5559 -191.409 PRESSAVG: 545800 -0.625674 13.8938 -66.4505 13.8938 26.6075 -7.52406 -66.4505 -7.52404 1.33067 GPRESSAVG: 545800 -2.13057 14.2324 -66.5051 12.7425 27.4072 -6.91441 -66.2191 -7.49733 1.93366 TIMING: 545800 CPU: 1725.12, 0.0031707/step Wall: 1725.12, 0.0031707/step, 3.92303 hours remaining, 233.125000 MB of memory in use. ENERGY: 545800 3990.0244 20532.7994 14537.4591 254.3972 -203100.9254 2241.4933 0.0000 0.0000 52255.2479 -109289.5039 300.3116 -161544.7518 -108927.2772 299.6259 -104.5316 -80.7326 761116.2593 9.1042 9.0701 PRESSURE: 546000 -657.417 172.402 352.451 172.403 -145.065 0.441966 352.451 0.441062 -310.231 GPRESSURE: 546000 -605.899 169.074 359.528 105.589 -141.371 -28.1786 322.184 -55.7657 -291.676 PRESSAVG: 546000 -15.6972 -41.5458 -28.4205 -41.5458 11.3452 -36.3846 -28.4205 -36.3847 7.36352 GPRESSAVG: 546000 -15.5762 -42.3697 -31.1353 -38.3672 11.8121 -38.2182 -28.6676 -37.8148 7.00667 TIMING: 546000 CPU: 1725.75, 0.00315377/step Wall: 1725.75, 0.00315377/step, 3.90191 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: 546000 3953.6076 20393.2204 14566.9957 250.6653 -203023.0917 2298.9599 0.0000 0.0000 52318.5123 -109241.1306 300.6752 -161559.6429 -108880.9074 299.7680 -370.9041 -346.3153 762421.8261 1.0038 1.0808 PRESSURE: 546200 75.1948 -51.7985 136.37 -51.7981 132.807 -149.254 136.369 -149.255 -14.0559 GPRESSURE: 546200 148.992 -70.5109 76.8131 -63.0712 176.456 -51.0603 -39.3368 -144.923 -48.4179 PRESSAVG: 546200 44.385 44.5657 3.17983 44.5657 -6.59506 -54.202 3.17987 -54.202 5.82306 GPRESSAVG: 546200 46.3 45.4242 5.03178 43.1157 -8.11595 -52.4983 1.24513 -53.7377 5.58517 TIMING: 546200 CPU: 1726.39, 0.00316/step Wall: 1726.39, 0.00316/step, 3.90944 hours remaining, 233.125000 MB of memory in use. ENERGY: 546200 3956.0536 20415.5875 14479.7355 260.4942 -203465.5171 2861.3430 0.0000 0.0000 52226.7585 -109265.5449 300.1479 -161492.3034 -108896.1891 299.3539 64.6486 92.3434 761784.1315 14.5377 14.5898 PRESSURE: 546400 144.762 -17.7692 -200.186 -17.7696 -134.648 109.648 -200.186 109.648 269.262 GPRESSURE: 546400 109.12 -15.5016 -186.961 -69.1096 -68.351 73.158 -215.742 -56.5164 333.204 PRESSAVG: 546400 50.6658 -16.4459 24.3144 -16.4459 -53.868 -32.3211 24.3145 -32.3211 22.1679 GPRESSAVG: 546400 49.9961 -16.2305 24.0634 -17.0103 -53.0089 -33.448 27.729 -31.4746 22.6222 TIMING: 546400 CPU: 1727.02, 0.0031678/step Wall: 1727.02, 0.0031678/step, 3.91892 hours remaining, 233.125000 MB of memory in use. ENERGY: 546400 3936.5034 20582.3861 14582.9932 244.2730 -203527.9459 2698.1761 0.0000 0.0000 52052.6125 -109431.0016 299.1471 -161483.6141 -109063.1458 299.6494 93.1255 124.6575 760058.1372 6.3219 6.5365 PRESSURE: 546600 411.773 -65.0283 202.27 -65.0276 -19.2151 137.213 202.269 137.213 -88.4369 GPRESSURE: 546600 417.138 -107.703 208.837 123.835 58.6064 98.6248 173.726 52.3766 -90.9354 PRESSAVG: 546600 10.812 -12.8664 -8.44005 -12.8664 -37.0464 26.3321 -8.44002 26.332 -3.6681 GPRESSAVG: 546600 10.7864 -12.724 -7.81799 -12.7279 -37.5253 27.2945 -10.6193 23.9594 -3.75911 TIMING: 546600 CPU: 1727.65, 0.00315801/step Wall: 1727.65, 0.00315801/step, 3.90664 hours remaining, 233.125000 MB of memory in use. ENERGY: 546600 4062.9350 20519.3849 14493.3246 234.8376 -203563.1889 2655.5522 0.0000 0.0000 52067.9047 -109529.2499 299.2350 -161597.1546 -109169.8576 299.4255 101.3735 128.2697 760883.8117 -9.9675 -10.1660 PRESSURE: 546800 -180.614 -225.001 7.47444 -225 51.7552 -159.648 7.47449 -159.647 -503.955 GPRESSURE: 546800 -249.036 -164.153 -14.0173 -241.295 93.3174 -92.1648 26.5424 -93.6701 -401.596 PRESSAVG: 546800 47.668 -13.6458 49.5784 -13.6458 -82.8038 -36.8403 49.5784 -36.8402 -6.69376 GPRESSAVG: 546800 47.0706 -13.3098 48.7525 -13.4125 -82.2655 -35.6358 48.6647 -37.0942 -6.88542 TIMING: 546800 CPU: 1728.29, 0.00318548/step Wall: 1728.29, 0.00318548/step, 3.94043 hours remaining, 233.125000 MB of memory in use. ENERGY: 546800 4041.1320 20564.3597 14509.7717 254.6277 -203521.4646 2723.1615 0.0000 0.0000 51992.6881 -109435.7238 298.8027 -161428.4119 -109060.6586 298.4438 -210.9381 -185.7714 762147.7877 -13.9432 -14.0268 PRESSURE: 547000 54.8198 -120.464 157.237 -120.465 -320.996 -300.313 157.237 -300.312 46.5599 GPRESSURE: 547000 67.3168 -63.2896 120.973 -98.2529 -254.385 -246.995 71.2717 -259.209 38.7856 PRESSAVG: 547000 25.0375 15.3656 -13.217 15.3656 -53.5714 -28.7277 -13.217 -28.7278 7.83135 GPRESSAVG: 547000 25.2011 16.5863 -13.0292 12.7794 -54.2619 -30.0241 -10.0837 -26.1956 8.08459 TIMING: 547000 CPU: 1728.92, 0.0031624/step Wall: 1728.92, 0.0031624/step, 3.91171 hours remaining, 233.125000 MB of memory in use. ENERGY: 547000 3993.0330 20441.2265 14575.5851 266.7920 -203197.7170 2456.9981 0.0000 0.0000 52227.2182 -109236.8641 300.1505 -161464.0823 -108876.6660 299.6842 -73.2054 -49.4274 761692.5355 -6.9008 -6.9921 PRESSURE: 547200 445.179 -231.46 103.23 -231.46 95.6182 -87.1919 103.23 -87.1918 -223.218 GPRESSURE: 547200 439.002 -146.616 130.525 -244.033 109.572 22.6326 191.05 47.7365 -157.884 PRESSAVG: 547200 48.0221 22.2292 -2.28564 22.2292 -34.5816 0.365379 -2.2856 0.365394 -10.9015 GPRESSAVG: 547200 47.9315 21.5369 -0.437324 23.733 -34.6334 0.900019 -3.90526 1.41942 -10.145 TIMING: 547200 CPU: 1729.55, 0.00315498/step Wall: 1729.55, 0.00315498/step, 3.90236 hours remaining, 233.125000 MB of memory in use. ENERGY: 547200 4021.4139 20586.7771 14560.1788 262.1708 -203919.8909 3050.3985 0.0000 0.0000 52123.3024 -109315.6494 299.5533 -161438.9518 -108956.6570 299.5910 105.8598 130.2302 761299.3567 0.8464 1.0511 PRESSURE: 547400 -447.682 45.1129 80.8261 45.1118 -435.038 85.701 80.826 85.7009 183.77 GPRESSURE: 547400 -418.108 27.5198 69.5624 26.303 -384.739 37.4017 165.447 11.8231 183.434 PRESSAVG: 547400 59.0713 40.7442 53.3646 40.7442 -14.1122 25.3116 53.3646 25.3116 0.969827 GPRESSAVG: 547400 58.3737 40.3739 53.3836 39.8691 -13.0752 24.2644 52.1305 23.6643 0.782489 TIMING: 547400 CPU: 1730.19, 0.00317168/step Wall: 1730.19, 0.00317168/step, 3.92284 hours remaining, 233.125000 MB of memory in use. ENERGY: 547400 3974.8489 20698.8286 14600.1242 231.2769 -203334.7312 2680.8789 0.0000 0.0000 51845.2380 -109303.5356 297.9553 -161148.7735 -108946.9631 300.0386 -232.9833 -206.4707 761535.0413 15.3097 15.3603 PRESSURE: 547600 -79.6688 87.9216 19.8528 87.922 -85.3149 189.805 19.8529 189.805 -533.844 GPRESSURE: 547600 6.84791 118.242 83.1955 166.996 -133.05 161.02 2.91905 5.90722 -493.395 PRESSAVG: 547600 37.0565 29.985 11.0331 29.9851 -32.2118 50.4439 11.0331 50.444 2.10157 GPRESSAVG: 547600 38.6329 28.9911 8.8242 30.3852 -33.9099 51.9001 11.4976 51.2769 1.81536 TIMING: 547600 CPU: 1730.82, 0.00317838/step Wall: 1730.82, 0.00317838/step, 3.93095 hours remaining, 233.125000 MB of memory in use. ENERGY: 547600 4080.2089 20533.6947 14506.6210 250.7348 -203257.3749 2461.2383 0.0000 0.0000 52201.9757 -109222.9015 300.0055 -161424.8772 -108862.4420 299.6346 -232.9427 -206.5325 760497.3290 2.3154 2.1794 PRESSURE: 547800 77.7892 -8.89057 124.709 -8.89004 -57.0137 5.65463 124.708 5.65405 273.696 GPRESSURE: 547800 -5.44014 -71.3992 29.8355 -2.33792 80.2463 -42.3705 138.033 -116.028 316.288 PRESSAVG: 547800 -43.7563 5.47571 25.6024 5.47571 -2.26277 0.645739 25.6024 0.645782 -13.1915 GPRESSAVG: 547800 -44.2964 5.38582 26.7934 8.01734 -0.688613 0.304538 26.8397 1.20126 -14.0025 TIMING: 547800 CPU: 1731.46, 0.00318461/step Wall: 1731.46, 0.00318461/step, 3.93848 hours remaining, 233.125000 MB of memory in use. ENERGY: 547800 4029.1819 20431.8596 14531.7325 246.9792 -204072.3240 3029.0351 0.0000 0.0000 52320.4765 -109483.0592 300.6865 -161803.5357 -109111.2954 299.8581 98.1571 130.3646 760003.5551 -19.7369 -19.6625 PRESSURE: 548000 -22.5531 -198.276 193.544 -198.276 -223.039 2.15215 193.543 2.15241 99.8554 GPRESSURE: 548000 57.7878 -230.38 210.57 -187.444 -184.816 -45.2008 -31.6493 10.547 46.4405 PRESSAVG: 548000 20.7709 -48.6252 42.1659 -48.6252 -1.34512 10.7124 42.1659 10.7122 6.51213 GPRESSAVG: 548000 21.6653 -45.5427 42.6869 -50.7893 -1.26456 11.4734 39.7439 8.93369 5.71317 TIMING: 548000 CPU: 1732.09, 0.00316095/step Wall: 1732.09, 0.00316095/step, 3.90904 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: 548000 3952.2918 20678.9809 14592.3798 275.0589 -203150.0946 2333.3647 0.0000 0.0000 51888.8957 -109429.1227 298.2062 -161318.0184 -109062.1481 299.0033 -48.5788 -26.8625 761192.6207 8.6460 8.7046 PRESSURE: 548200 -120.391 34.6433 79.5275 34.6427 -232.642 84.1294 79.5281 84.1277 34.4493 GPRESSURE: 548200 -108.461 44.2847 29.271 3.5419 -174.503 81.9765 30.7247 235.206 38.3161 PRESSAVG: 548200 -38.0652 -28.7678 10.2268 -28.7678 -12.8485 48.2951 10.2268 48.295 10.1495 GPRESSAVG: 548200 -38.1226 -30.3802 9.32477 -28.2076 -13.913 46.4591 11.7691 50.1699 11.0253 TIMING: 548200 CPU: 1732.72, 0.00317052/step Wall: 1732.72, 0.00317052/step, 3.9207 hours remaining, 233.125000 MB of memory in use. ENERGY: 548200 4039.8371 20536.3502 14546.5993 261.1352 -203626.3248 2679.0903 0.0000 0.0000 52103.8947 -109459.4180 299.4418 -161563.3128 -109102.6628 299.1438 -106.1943 -81.5494 761065.2165 -13.5881 -13.6701 LDB: ============= START OF LOAD BALANCING ============== 1745.26 LDB: ============== END OF LOAD BALANCING =============== 1745.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1745.26 LDB: ============= START OF LOAD BALANCING ============== 1745.58 LDB: Largest compute 7060 load 0.032642 is 16.7% of average load 0.195203 LDB: Average compute 0.004391 is 2.2% of average load 0.195203 LDB: TIME 1745.58 LOAD: AVG 0.195203 MAX 0.215635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.852 MB LDB: TIME 1745.58 LOAD: AVG 0.195203 MAX 0.215635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.855 MB LDB: TIME 1745.58 LOAD: AVG 0.195203 MAX 0.215635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.855 MB LDB: ============== END OF LOAD BALANCING =============== 1745.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1745.59 PRESSURE: 548400 12.9422 -49.3659 -33.4414 -49.3656 -244.409 67.163 -33.4413 67.1615 -435.57 GPRESSURE: 548400 13.2907 -60.0544 41.7225 -11.4178 -205.103 80.6212 45.1561 -4.62772 -382.764 PRESSAVG: 548400 38.4538 -10.7051 4.85441 -10.7051 -46.0823 39.7249 4.85439 39.725 -12.615 GPRESSAVG: 548400 37.1884 -9.34457 4.26418 -10.8229 -44.9105 39.9174 7.20405 38.1688 -11.7647 TIMING: 548400 CPU: 1733.37, 0.00323277/step Wall: 1733.37, 0.00323277/step, 3.9975 hours remaining, 233.101562 MB of memory in use. ENERGY: 548400 4018.8243 20674.5207 14642.4649 250.6786 -203283.6007 2379.7477 0.0000 0.0000 51744.7692 -109572.5952 297.3779 -161317.3645 -109207.2642 299.2994 -222.3454 -191.5253 761884.9043 -6.7478 -6.4956 PRESSURE: 548600 39.3499 12.2083 258.178 12.2094 -322.858 65.3091 258.177 65.3096 -159.532 GPRESSURE: 548600 48.5685 27.2051 260.547 -16.0102 -322.447 47.6924 118.9 98.4427 -109.459 PRESSAVG: 548600 -8.39941 -55.1691 40.3378 -55.1691 11.1039 26.5741 40.3378 26.574 11.9089 GPRESSAVG: 548600 -6.92321 -58.1108 39.9185 -54.5288 10.8472 27.8433 39.0198 27.2373 11.1557 TIMING: 548600 CPU: 1734, 0.00316519/step Wall: 1734, 0.00316519/step, 3.91376 hours remaining, 233.304688 MB of memory in use. ENERGY: 548600 3997.6859 20548.7425 14541.8067 235.2424 -203380.1780 2449.6129 0.0000 0.0000 51915.6324 -109691.4552 298.3599 -161607.0876 -109318.3729 299.1212 -147.6799 -127.7790 762467.1406 4.8711 5.0266 PRESSURE: 548800 28.6828 -70.77 12.4886 -70.77 428.524 -14.1037 12.4884 -14.1039 160.704 GPRESSURE: 548800 128.347 54.885 72.5641 -166.721 448.463 -18.7134 51.622 -60.3531 110.657 PRESSAVG: 548800 1.63505 8.11751 67.0613 8.1175 -25.6967 23.6075 67.0613 23.6075 -21.6559 GPRESSAVG: 548800 0.821312 11.7539 68.771 6.14552 -25.5048 23.6228 65.3405 22.9898 -21.1137 TIMING: 548800 CPU: 1734.64, 0.00319562/step Wall: 1734.64, 0.00319562/step, 3.95121 hours remaining, 233.304688 MB of memory in use. ENERGY: 548800 3998.4675 20522.4561 14474.3888 254.3570 -203838.2283 3005.9216 0.0000 0.0000 52255.1093 -109327.5280 300.3108 -161582.6373 -108964.3396 299.3211 205.9703 229.1556 760821.5073 -15.2392 -15.2657 PRESSURE: 549000 -4.56047 -156.625 -15.2084 -156.626 131.785 -185.384 -15.2093 -185.383 -1.68341 GPRESSURE: 549000 69.4939 -164.96 -75.2381 -117.147 162.552 -175.822 -31.3454 -187.245 -12.1035 PRESSAVG: 549000 28.6444 38.6499 1.87018 38.6499 15.0284 43.3391 1.87014 43.3391 21.3416 GPRESSAVG: 549000 27.9531 36.5513 1.34163 39.9606 14.852 41.5842 1.79568 43.2532 22.2682 TIMING: 549000 CPU: 1735.28, 0.00319332/step Wall: 1735.28, 0.00319332/step, 3.94819 hours remaining, 233.304688 MB of memory in use. ENERGY: 549000 4017.7723 20415.0252 14597.9044 243.3516 -203642.0168 2847.3827 0.0000 0.0000 52263.8885 -109256.6920 300.3613 -161520.5805 -108898.2197 299.5943 41.8472 73.3142 760391.4800 21.6715 21.6911 PRESSURE: 549200 1.65122 -133.754 12.6944 -133.754 202.035 153.305 12.6946 153.305 279.504 GPRESSURE: 549200 42.2655 -31.3135 -8.97573 -107.078 201.99 31.037 71.9428 100.363 319.728 PRESSAVG: 549200 11.8285 -43.3531 -5.94365 -43.353 10.3615 89.9673 -5.94369 89.9673 16.6399 GPRESSAVG: 549200 12.8718 -44.2469 -7.39059 -44.0692 9.82899 92.3907 -3.96074 90.5904 15.739 TIMING: 549200 CPU: 1735.92, 0.00318842/step Wall: 1735.92, 0.00318842/step, 3.94195 hours remaining, 233.304688 MB of memory in use. ENERGY: 549200 3994.7509 20575.7948 14651.8917 262.0839 -203306.2853 2572.4235 0.0000 0.0000 52121.7695 -109127.5711 299.5445 -161249.3406 -108770.9711 300.0690 161.0632 187.9943 759174.9035 12.9433 12.8133 PRESSURE: 549400 168.247 58.987 -154.823 58.9875 -11.7119 -106.552 -154.822 -106.552 127.598 GPRESSURE: 549400 229.536 42.3519 -234.672 100.993 7.17113 -74.6837 -90.1977 -39.4162 129.746 PRESSAVG: 549400 -10.3069 -2.14448 -41.9527 -2.14448 0.624178 44.3072 -41.9527 44.3072 -19.6906 GPRESSAVG: 549400 -10.9749 -2.19358 -40.1953 -0.0141068 0.543123 43.4462 -42.1098 44.0078 -19.4124 TIMING: 549400 CPU: 1736.55, 0.00317649/step Wall: 1736.55, 0.00317649/step, 3.92702 hours remaining, 233.546875 MB of memory in use. ENERGY: 549400 3981.3190 20698.3119 14584.5928 236.5083 -203186.8714 2532.0684 0.0000 0.0000 52110.8554 -109043.2156 299.4818 -161154.0710 -108682.1821 299.8791 94.7111 122.1513 760802.4469 -9.7911 -9.9480 PRESSURE: 549600 78.8214 -42.6878 -84.839 -42.6869 -85.1207 183.348 -84.8389 183.348 220.607 GPRESSURE: 549600 153.868 89.8099 -51.0506 53.4418 -42.2165 70.7592 -25.3041 151.256 188.754 PRESSAVG: 549600 53.9093 1.85754 -29.568 1.85757 -75.7102 10.5461 -29.568 10.5461 28.534 GPRESSAVG: 549600 54.8 2.79401 -30.8081 2.41491 -76.9728 9.92556 -29.0475 11.7772 28.774 TIMING: 549600 CPU: 1737.19, 0.00318943/step Wall: 1737.19, 0.00318943/step, 3.94284 hours remaining, 233.546875 MB of memory in use. ENERGY: 549600 3978.5020 20474.9103 14546.8788 220.4449 -203172.1377 2636.6886 0.0000 0.0000 51955.4361 -109359.2769 298.5886 -161314.7130 -108996.2902 299.3558 71.4360 100.1351 761774.4043 2.2444 2.2004 PRESSURE: 549800 -86.8842 -25.0122 145.912 -25.0121 22.0689 -24.0831 145.911 -24.082 -94.3278 GPRESSURE: 549800 -51.0859 -60.89 99.5925 -52.6965 75.8545 9.5172 243.272 -1.79367 -120.733 PRESSAVG: 549800 11.0595 3.86958 -12.912 3.86957 -15.4151 29.3182 -12.9119 29.3182 -2.67149 GPRESSAVG: 549800 11.6432 4.62254 -12.9139 2.15033 -15.6619 30.3125 -13.3428 28.4789 -3.26499 TIMING: 549800 CPU: 1737.82, 0.0031613/step Wall: 1737.82, 0.0031613/step, 3.9079 hours remaining, 233.546875 MB of memory in use. ENERGY: 549800 3968.9232 20736.3952 14560.8189 249.9215 -203413.9778 2489.6484 0.0000 0.0000 52294.1420 -109114.1286 300.5352 -161408.2705 -108757.3227 299.3841 -53.0477 -31.9881 762179.7289 -2.3424 -2.4279 PRESSURE: 550000 -19.9297 -90.3232 -22.6541 -90.3229 -18.692 -8.3467 -22.653 -8.3465 -227.659 GPRESSURE: 550000 -13.71 -216.536 -105.807 -74.7575 25.9121 -8.56886 -66.2568 -90.458 -199.226 PRESSAVG: 550000 -7.41073 -5.98136 -25.7505 -5.98136 29.8626 31.2888 -25.7506 31.2888 18.2041 GPRESSAVG: 550000 -8.81531 -7.17871 -25.0794 -6.05086 29.9168 30.3764 -27.2114 31.8244 19.45 TIMING: 550000 CPU: 1738.46, 0.00318053/step Wall: 1738.46, 0.00318053/step, 3.93148 hours remaining, 233.546875 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: 550000 3907.9415 20670.9666 14574.3638 257.6640 -203305.7171 2566.5440 0.0000 0.0000 52206.0925 -109122.1447 300.0291 -161328.2372 -108756.4168 299.9173 -88.7601 -62.3414 761064.0569 13.5520 13.5172 PRESSURE: 550200 -412.379 76.9189 50.9625 76.9199 -271.678 265.257 50.9634 265.257 -235.412 GPRESSURE: 550200 -377.23 185.806 133.908 134.898 -228.498 190.153 -67.9901 380.779 -232.638 PRESSAVG: 550200 1.32614 -15.544 4.85116 -15.544 3.28017 60.3202 4.8511 60.3202 -8.62538 GPRESSAVG: 550200 1.57586 -14.8857 6.75583 -14.5956 4.30607 60.4585 3.89338 59.1845 -9.89121 TIMING: 550200 CPU: 1739.09, 0.00315706/step Wall: 1739.09, 0.00315706/step, 3.9023 hours remaining, 233.546875 MB of memory in use. ENERGY: 550200 4023.1304 20312.5307 14557.2266 269.5770 -203523.4244 2793.0382 0.0000 0.0000 52444.7604 -109123.1611 301.4008 -161567.9215 -108750.4310 299.7130 -306.4898 -279.4552 762348.4073 -1.3397 -1.3364 PRESSURE: 550400 -172.61 58.6389 -26.7143 58.6396 -126.214 126.291 -26.7145 126.29 -316.605 GPRESSURE: 550400 -107.7 -14.8771 5.93075 86.0943 -107.865 26.8065 4.97756 160.528 -297.193 PRESSAVG: 550400 54.0527 11.7467 -48.5696 11.7467 -65.2458 45.5266 -48.5696 45.5266 -11.1525 GPRESSAVG: 550400 54.9285 11.4192 -49.8987 11.1679 -67.0573 44.3933 -46.2164 47.7011 -9.9044 TIMING: 550400 CPU: 1739.72, 0.00313987/step Wall: 1739.72, 0.00313987/step, 3.88089 hours remaining, 233.546875 MB of memory in use. ENERGY: 550400 3940.5012 20592.9407 14507.4608 261.6304 -203553.3045 2860.2510 0.0000 0.0000 52194.7552 -109195.7652 299.9640 -161390.5203 -108827.7730 299.7671 -205.1431 -170.9191 761861.3702 -7.4486 -7.3444 PRESSURE: 550600 -419.69 -54.0017 82.2491 -54.0023 -284.234 -24.5862 82.2494 -24.5867 343.632 GPRESSURE: 550600 -354.921 -35.7829 5.89798 -52.7643 -266.273 -41.32 80.8459 -43.8073 340.155 PRESSAVG: 550600 21.2545 -27.8537 -17.5982 -27.8538 -32.8239 58.2952 -17.5982 58.2952 -6.37931 GPRESSAVG: 550600 19.6148 -27.0817 -17.0617 -29.4479 -30.1041 58.8568 -19.3844 55.3217 -7.31338 TIMING: 550600 CPU: 1740.35, 0.00313795/step Wall: 1740.35, 0.00313795/step, 3.87834 hours remaining, 233.546875 MB of memory in use. ENERGY: 550600 3981.0081 20549.1079 14526.6102 236.7723 -203647.4349 2756.3113 0.0000 0.0000 52100.8935 -109496.7317 299.4246 -161597.6252 -109133.4010 299.3173 -120.0975 -93.6793 762325.4150 -5.9829 -5.9342 PRESSURE: 550800 -19.1742 234.162 52.6935 234.162 -178.067 239.647 52.6935 239.646 187.137 GPRESSURE: 550800 4.91648 278.065 -28.8968 88.1847 -157.459 291.53 51.3382 229.143 220.423 PRESSAVG: 550800 34.7164 -38.1786 -55.6553 -38.1786 -43.4388 4.2767 -55.6553 4.27675 14.5934 GPRESSAVG: 550800 35.7028 -35.767 -56.7121 -38.2378 -44.7466 4.32808 -54.4713 5.70434 15.566 TIMING: 550800 CPU: 1740.98, 0.00314688/step Wall: 1740.98, 0.00314688/step, 3.8892 hours remaining, 233.546875 MB of memory in use. ENERGY: 550800 4094.6714 20458.2284 14547.2189 224.7212 -203548.9848 2592.8392 0.0000 0.0000 51989.0740 -109642.2318 298.7819 -161631.3057 -109292.9487 299.1799 -3.3678 22.6271 760856.0618 1.9570 2.1740 PRESSURE: 551000 -154.445 62.5781 -79.3597 62.5776 176.746 -58.041 -79.3594 -58.0414 -305.241 GPRESSURE: 551000 -151.993 75.8298 -36.1229 88.9792 210.073 -70.5558 35.737 12.1271 -252.88 PRESSAVG: 551000 6.25448 -0.0430861 -0.919662 -0.0430542 49.1029 -18.4796 -0.919662 -18.4795 -33.3433 GPRESSAVG: 551000 6.79326 -3.00923 0.537274 0.768391 48.4956 -16.9126 -1.52122 -19.8994 -33.7681 TIMING: 551000 CPU: 1741.61, 0.00316963/step Wall: 1741.61, 0.00316963/step, 3.91714 hours remaining, 233.546875 MB of memory in use. ENERGY: 551000 3967.5972 20580.7944 14492.6304 255.8071 -203664.6061 2661.5035 0.0000 0.0000 52125.4924 -109580.7811 299.5659 -161706.2735 -109226.0420 298.9856 -94.3131 -64.9331 760964.7146 7.3380 7.1736 PRESSURE: 551200 311.539 -104.413 -109.162 -104.413 -377.233 64.5268 -109.161 64.5262 -65.2012 GPRESSURE: 551200 260.523 -147.396 -203.866 -118.503 -257.999 182.537 -40.8106 -23.699 -39.0275 PRESSAVG: 551200 0.143633 -18.0422 -19.9503 -18.0421 -78.9332 -0.407418 -19.9503 -0.407385 -5.96962 GPRESSAVG: 551200 -0.984534 -18.4775 -21.3953 -16.4427 -78.4472 -2.53499 -18.9446 1.85348 -5.24005 TIMING: 551200 CPU: 1742.24, 0.00316797/step Wall: 1742.24, 0.00316797/step, 3.91491 hours remaining, 233.546875 MB of memory in use. ENERGY: 551200 4035.0825 20467.1664 14571.2217 259.3227 -203238.2231 2554.5467 0.0000 0.0000 51852.2404 -109498.6427 297.9955 -161350.8831 -109147.0513 298.6420 -43.6316 -12.1681 760161.0768 -28.2531 -28.2239 PRESSURE: 551400 185.234 31.9231 -435.249 31.9229 387.019 124.196 -435.249 124.197 -124.002 GPRESSURE: 551400 244.101 24.0635 -354.806 -102.916 351.26 103.784 -262.22 104.019 -83.9398 PRESSAVG: 551400 -14.0137 14.1216 6.67756 14.1216 15.0033 76.0021 6.67755 76.0022 -7.63555 GPRESSAVG: 551400 -13.3799 13.5164 6.39499 12.8646 14.5387 76.142 8.52811 77.1442 -7.50794 TIMING: 551400 CPU: 1742.87, 0.00314186/step Wall: 1742.87, 0.00314186/step, 3.88247 hours remaining, 233.546875 MB of memory in use. ENERGY: 551400 3972.1971 20497.2654 14549.2472 247.4354 -203265.2173 2693.3993 0.0000 0.0000 51806.8304 -109498.8426 297.7346 -161305.6730 -109140.9357 298.9292 149.4169 170.4736 760309.9003 -2.2153 -2.1164 PRESSURE: 551600 323.331 108.175 145.036 108.175 410.422 -3.10216 145.036 -3.10222 155.411 GPRESSURE: 551600 352.987 3.97517 206.913 21.5097 416.443 -45.5427 -30.0156 -88.8863 192.483 PRESSAVG: 551600 -18.0223 32.2403 -2.16459 32.2403 7.27976 -16.0333 -2.16465 -16.0332 -19.0853 GPRESSAVG: 551600 -18.1468 34.731 -0.51671 29.675 7.25452 -15.4358 -2.76341 -18.1164 -18.8676 TIMING: 551600 CPU: 1743.5, 0.00315083/step Wall: 1743.5, 0.00315083/step, 3.89337 hours remaining, 233.546875 MB of memory in use. ENERGY: 551600 4006.9606 20502.3659 14481.3025 253.1104 -203522.9767 2654.5797 0.0000 0.0000 52161.4275 -109463.2302 299.7724 -161624.6577 -109104.9284 298.9767 296.3881 320.6377 758770.1279 -9.9426 -9.9200 PRESSURE: 551800 -198.224 -14.6474 -4.58212 -14.6471 -462.463 103.548 -4.58143 103.549 -540.563 GPRESSURE: 551800 -175.177 -52.8716 -7.80566 53.9303 -365.418 151.023 87.8556 201.29 -581.966 PRESSAVG: 551800 42.92 -3.55482 -10.664 -3.55487 -3.27411 27.0602 -10.6639 27.0602 -1.49595 GPRESSAVG: 551800 42.9508 -6.34555 -13.0092 -1.43662 -2.18564 27.9926 -11.6871 25.9898 -2.80671 TIMING: 551800 CPU: 1744.14, 0.00316004/step Wall: 1744.14, 0.00316004/step, 3.90458 hours remaining, 233.546875 MB of memory in use. ENERGY: 551800 4028.6225 20645.5726 14529.4709 253.0525 -203316.9065 2493.5594 0.0000 0.0000 51807.9396 -109558.6889 297.7409 -161366.6285 -109204.0378 299.1658 -400.4168 -374.1871 760453.1175 12.7166 12.6528 PRESSURE: 552000 -301.803 25.8512 1.44198 25.8512 -313.965 -30.7909 1.441 -30.7908 84.8527 GPRESSURE: 552000 -230.784 7.38657 -41.9129 -13.6815 -301.067 -76.8073 12.525 -54.1822 92.1237 PRESSAVG: 552000 38.0943 34.1331 -8.2467 34.1331 -36.7889 -9.85315 -8.24666 -9.85321 3.71253 GPRESSAVG: 552000 38.4797 34.5117 -6.89501 32.7417 -37.0804 -12.0671 -6.07983 -8.4447 3.62721 TIMING: 552000 CPU: 1744.77, 0.00317292/step Wall: 1744.77, 0.00317292/step, 3.92032 hours remaining, 233.546875 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: 552000 4060.8072 20514.0685 14542.8687 253.9390 -203222.1994 2311.4734 0.0000 0.0000 51917.0497 -109621.9929 298.3680 -161539.0426 -109272.2531 299.1313 -176.9719 -146.5761 759481.2259 1.6726 1.6755 PRESSURE: 552200 100.542 48.0552 111.758 48.0555 -458.94 -59.943 111.759 -59.9432 435.909 GPRESSURE: 552200 144.208 -45.8705 57.8848 39.6989 -359.17 -72.3424 187.807 -6.03779 375.381 PRESSAVG: 552200 21.0822 20.915 -6.26065 20.9151 -63.6432 -5.84756 -6.26064 -5.84758 4.13432 GPRESSAVG: 552200 19.2222 21.1394 -7.52496 21.6714 -62.713 -4.29899 -8.03441 -5.57348 4.72485 TIMING: 552200 CPU: 1745.4, 0.00317397/step Wall: 1745.4, 0.00317397/step, 3.92144 hours remaining, 233.546875 MB of memory in use. ENERGY: 552200 3987.3952 20512.0518 14546.6858 253.0342 -203394.6625 2540.1774 0.0000 0.0000 51864.7073 -109690.6108 298.0672 -161555.3181 -109333.5936 298.7104 25.8371 53.4730 761628.5680 -12.8089 -12.9220 LDB: ============= START OF LOAD BALANCING ============== 1757.94 LDB: ============== END OF LOAD BALANCING =============== 1757.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1757.94 LDB: ============= START OF LOAD BALANCING ============== 1758.25 LDB: Largest compute 7032 load 0.030710 is 15.7% of average load 0.195186 LDB: Average compute 0.004395 is 2.3% of average load 0.195186 LDB: TIME 1758.26 LOAD: AVG 0.195186 MAX 0.210745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.848 MB LDB: TIME 1758.26 LOAD: AVG 0.195186 MAX 0.210745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.945 MB LDB: TIME 1758.26 LOAD: AVG 0.195186 MAX 0.210745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.945 MB LDB: ============== END OF LOAD BALANCING =============== 1758.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1758.26 PRESSURE: 552400 74.5314 27.6216 225.984 27.6218 310.937 104.979 225.983 104.978 390.02 GPRESSURE: 552400 150.629 -14.9099 210.281 74.1013 349.763 6.50959 149.456 157.488 357.701 PRESSAVG: 552400 43.1347 -7.25166 67.6634 -7.25169 -40.9392 33.5947 67.6634 33.5947 -33.661 GPRESSAVG: 552400 44.6429 -7.43695 69.4403 -5.25374 -41.7541 34.0829 64.7721 31.1639 -34.8502 TIMING: 552400 CPU: 1746.05, 0.00321841/step Wall: 1746.05, 0.00321841/step, 3.97617 hours remaining, 234.425781 MB of memory in use. ENERGY: 552400 3966.4827 20498.8244 14575.8475 257.6391 -204448.9571 3263.7768 0.0000 0.0000 52040.1042 -109846.2823 299.0752 -161886.3864 -109483.9053 298.5800 258.4962 286.0311 760486.4100 -10.4885 -10.6538 PRESSURE: 552600 498.415 -280.256 -16.1653 -280.256 -355.432 26.9139 -16.1652 26.9146 -150.271 GPRESSURE: 552600 494.218 -229.675 -5.77024 -210.385 -251.38 86.6037 -57.4772 25.714 -173.602 PRESSAVG: 552600 18.067 21.7829 -31.118 21.7829 17.9394 -2.76162 -31.118 -2.76158 -26.155 GPRESSAVG: 552600 19.2626 24.2064 -29.8909 20.2664 16.3694 -2.00183 -29.1295 -1.48499 -25.5987 TIMING: 552600 CPU: 1746.68, 0.00316246/step Wall: 1746.68, 0.00316246/step, 3.90687 hours remaining, 234.875000 MB of memory in use. ENERGY: 552600 3980.0889 20527.8089 14513.3810 268.2623 -203387.8509 2475.1851 0.0000 0.0000 51688.7646 -109934.3600 297.0560 -161623.1246 -109574.7863 298.0324 -2.4290 23.0785 759537.5845 3.2838 3.3444 PRESSURE: 552800 336.891 182.424 -79.15 182.425 228.991 -125.173 -79.1504 -125.173 123.913 GPRESSURE: 552800 327.713 227.728 -111.835 144.281 245.611 -186.885 -184.124 -84.1334 196.741 PRESSAVG: 552800 28.3171 18.5924 -16.1456 18.5924 -7.21219 23.624 -16.1456 23.624 -14.4595 GPRESSAVG: 552800 26.6875 18.1068 -18.9585 18.3065 -6.90444 21.9938 -16.2743 24.7703 -13.4075 TIMING: 552800 CPU: 1747.31, 0.00317179/step Wall: 1747.31, 0.00317179/step, 3.91821 hours remaining, 234.875000 MB of memory in use. ENERGY: 552800 3964.7129 20508.0094 14621.2545 243.9826 -203616.6573 2596.9533 0.0000 0.0000 51707.5897 -109974.1547 297.1642 -161681.7445 -109607.2712 297.4589 229.9319 256.6882 760420.3693 2.2151 2.1252 PRESSURE: 553000 232.934 -42.3605 219.58 -42.3598 166.639 78.3309 219.58 78.3311 95.2091 GPRESSURE: 553000 367.224 -19.2631 283.401 -16.7709 173.3 60.3472 194.075 52.1726 29.0116 PRESSAVG: 553000 -25.2864 -9.24382 18.9194 -9.2438 37.7222 -17.7426 18.9194 -17.7426 20.4206 GPRESSAVG: 553000 -24.5493 -10.3208 18.4253 -8.99237 36.2214 -17.2276 20.6089 -18.477 20.3901 TIMING: 553000 CPU: 1747.95, 0.00316597/step Wall: 1747.95, 0.00316597/step, 3.91085 hours remaining, 234.851562 MB of memory in use. ENERGY: 553000 3941.4187 20516.7484 14553.4060 251.6471 -203978.9022 2819.6080 0.0000 0.0000 51991.4329 -109904.6409 298.7955 -161896.0738 -109543.5804 298.3024 164.9272 189.8452 759305.1018 10.9521 10.6874 PRESSURE: 553200 73.2793 194.547 112.715 194.546 -137.062 72.2743 112.716 72.2745 60.5085 GPRESSURE: 553200 -23.6225 130.466 82.4837 185.981 1.52047 120.083 154.856 158.533 106.02 PRESSAVG: 553200 20.3306 66.3906 22.8661 66.3906 -34.3843 -36.3592 22.8661 -36.3592 30.1441 GPRESSAVG: 553200 19.7075 66.3907 26.9648 68.4122 -32.3459 -35.1838 19.4753 -36.1642 29.2532 TIMING: 553200 CPU: 1748.58, 0.00317173/step Wall: 1748.58, 0.00317173/step, 3.91779 hours remaining, 234.851562 MB of memory in use. ENERGY: 553200 4021.1797 20701.5109 14531.8695 239.6631 -204216.2317 2802.4554 0.0000 0.0000 51858.6610 -110060.8922 298.0324 -161919.5532 -109689.9805 298.3879 -1.0915 27.9728 759873.7514 5.3634 5.5383 PRESSURE: 553400 156.94 -126.311 151.33 -126.311 -200.359 136.722 151.331 136.723 77.4109 GPRESSURE: 553400 172.2 -57.7131 239.149 -108.129 -85.0167 74.2235 269.426 143.073 21.657 PRESSAVG: 553400 41.4973 28.9728 3.67695 28.9728 -37.0056 -7.47048 3.67698 -7.47042 -16.927 GPRESSAVG: 553400 40.3541 28.0516 1.02809 27.6186 -36.4884 -8.48883 6.32059 -8.582 -16.5484 TIMING: 553400 CPU: 1749.22, 0.00317837/step Wall: 1749.22, 0.00317837/step, 3.92582 hours remaining, 234.851562 MB of memory in use. ENERGY: 553400 4083.9824 20675.8999 14486.7029 239.9081 -203670.2351 2558.9212 0.0000 0.0000 51932.7931 -109692.0273 298.4585 -161624.8204 -109328.6926 298.6272 11.3304 36.2800 761633.4412 -4.1451 -4.2276 PRESSURE: 553600 186.836 -20.9002 114.398 -20.9006 21.3061 121.394 114.398 121.394 256.824 GPRESSURE: 553600 259.693 -62.5707 119.383 -38.1124 61.0027 80.3396 50.8896 134.507 230.833 PRESSAVG: 553600 31.5184 7.88483 -11.7928 7.88482 -8.72808 10.2944 -11.7927 10.2944 9.46051 GPRESSAVG: 553600 33.4508 11.2777 -10.1468 5.75386 -10.2011 10.6437 -12.5003 11.7204 9.15661 TIMING: 553600 CPU: 1749.85, 0.003167/step Wall: 1749.85, 0.003167/step, 3.9116 hours remaining, 234.851562 MB of memory in use. ENERGY: 553600 4012.7559 20540.8793 14524.7529 237.1812 -204286.9435 2870.8503 0.0000 0.0000 52360.2258 -109740.2981 300.9149 -162100.5239 -109375.4714 299.1382 154.9887 183.8431 760094.0334 10.7503 10.8021 PRESSURE: 553800 111.001 -136.386 42.3145 -136.386 157.575 -164.975 42.3148 -164.976 0.89878 GPRESSURE: 553800 84.3527 -136.049 94.4454 -199.937 196.07 -130.673 32.3601 -125.364 66.5616 PRESSAVG: 553800 -6.98911 31.651 50.4284 31.651 -43.7544 -4.56539 50.4284 -4.56538 -36.5903 GPRESSAVG: 553800 -8.02463 31.0112 49.4744 32.5815 -43.6853 -4.92375 52.0481 -3.69106 -35.7674 TIMING: 553800 CPU: 1750.48, 0.00316588/step Wall: 1750.48, 0.00316588/step, 3.91004 hours remaining, 234.851562 MB of memory in use. ENERGY: 553800 4035.0917 20544.5637 14523.5396 252.1292 -203894.2070 2814.8132 0.0000 0.0000 52237.0378 -109487.0319 300.2070 -161724.0697 -109125.3363 299.2727 89.8249 115.6614 760475.3330 -29.1113 -29.1591 PRESSURE: 554000 97.1429 143.245 146.678 143.244 -133.154 104.127 146.678 104.128 332.273 GPRESSURE: 554000 107.796 70.8105 173.082 152.87 -58.969 28.2719 198.99 113.94 327.757 PRESSAVG: 554000 53.4326 40.8945 29.877 40.8944 -14.8405 -35.3246 29.877 -35.3246 10.6897 GPRESSAVG: 554000 54.4988 41.171 28.3774 41.4756 -14.5799 -36.1242 27.9443 -35.4475 9.45355 TIMING: 554000 CPU: 1751.12, 0.00315642/step Wall: 1751.12, 0.00315642/step, 3.89818 hours remaining, 234.875000 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: 554000 4038.0362 20766.3680 14496.6939 246.0487 -203672.5384 2815.6166 0.0000 0.0000 51837.9187 -109471.8564 297.9132 -161309.7751 -109125.2393 299.4003 98.7540 125.5278 761089.0239 16.4273 16.4575 PRESSURE: 554200 -111.566 63.377 13.763 63.3772 22.7198 -5.94227 13.7631 -5.94267 -72.7849 GPRESSURE: 554200 -153.566 186.166 -27.7972 127.134 45.3803 -71.7727 173.164 74.2212 24.0045 PRESSAVG: 554200 -8.49581 5.10288 -11.912 5.1029 -14.1247 29.5276 -11.912 29.5277 -12.1284 GPRESSAVG: 554200 -10.1937 4.58407 -10.2293 5.72942 -13.3968 27.7248 -8.34983 28.6988 -11.2902 TIMING: 554200 CPU: 1751.75, 0.00316965/step Wall: 1751.75, 0.00316965/step, 3.91434 hours remaining, 234.851562 MB of memory in use. ENERGY: 554200 4012.1388 20380.7831 14511.2752 256.4176 -203221.6400 2384.1075 0.0000 0.0000 52238.2065 -109438.7113 300.2137 -161676.9178 -109066.4008 299.0455 -53.8771 -28.0606 760497.6281 -11.5830 -11.6269 PRESSURE: 554400 125.074 136.88 111.524 136.881 -352.966 -8.01969 111.524 -8.01923 287.929 GPRESSURE: 554400 73.9564 120.253 84.5454 103.075 -239.72 -82.7365 164.395 137.885 317.172 PRESSAVG: 554400 36.5864 -6.93162 15.954 -6.9316 -29.6258 -25.88 15.9539 -25.88 -3.80142 GPRESSAVG: 554400 38.165 -4.6463 14.9212 -9.86165 -29.6556 -24.4479 13.8402 -24.1707 -4.57354 TIMING: 554400 CPU: 1752.39, 0.00318186/step Wall: 1752.39, 0.00318186/step, 3.92924 hours remaining, 234.875000 MB of memory in use. ENERGY: 554400 3966.2231 20464.6904 14581.9051 239.8174 -203801.4597 2900.1244 0.0000 0.0000 52168.3832 -109480.3161 299.8124 -161648.6993 -109112.1404 298.7963 20.0122 50.4695 760485.9163 1.0531 1.3120 PRESSURE: 554600 119.782 39.4398 -3.26385 39.4398 -4.16197 39.8794 -3.26408 39.8792 -329.968 GPRESSURE: 554600 58.407 7.84174 -85.5106 46.3356 127.075 6.83668 31.5187 -41.1218 -333.609 PRESSAVG: 554600 30.5492 -16.0543 17.0144 -16.0543 -19.0507 -24.5166 17.0144 -24.5166 8.35889 GPRESSAVG: 554600 30.5711 -18.8082 16.8221 -14.3499 -18.8781 -25.0454 15.5172 -25.6857 8.06209 TIMING: 554600 CPU: 1753.02, 0.00316346/step Wall: 1753.02, 0.00316346/step, 3.90635 hours remaining, 234.875000 MB of memory in use. ENERGY: 554600 4020.1408 20617.8932 14475.1949 249.4552 -203561.7461 2802.7190 0.0000 0.0000 52165.6515 -109230.6916 299.7967 -161396.3431 -108858.9889 299.2316 -71.4494 -49.3754 760067.5790 6.6191 6.5850 PRESSURE: 554800 104.742 78.9848 22.8207 78.9844 -370.683 28.8883 22.821 28.8884 -194.883 GPRESSURE: 554800 88.9743 117.774 2.42024 222.688 -310.103 34.984 -60.8642 55.4307 -187.123 PRESSAVG: 554800 38.7656 -5.66934 37.1385 -5.6694 -20.7729 -28.4764 37.1385 -28.4764 5.56842 GPRESSAVG: 554800 38.6894 -5.63005 38.6256 -1.8036 -21.6453 -27.7836 36.7256 -29.6728 6.29645 TIMING: 554800 CPU: 1753.65, 0.00315722/step Wall: 1753.65, 0.00315722/step, 3.89847 hours remaining, 234.875000 MB of memory in use. ENERGY: 554800 3994.5306 20522.0780 14535.6732 250.7331 -203414.9705 2619.6764 0.0000 0.0000 52180.0983 -109312.1809 299.8797 -161492.2791 -108952.9218 299.1557 -153.6083 -136.0841 760771.9504 7.8537 7.7802 PRESSURE: 555000 -84.955 197.322 46.5388 197.322 46.171 -61.7795 46.5391 -61.7799 12.1322 GPRESSURE: 555000 -79.8045 249.087 81.1172 79.7112 154.109 -69.3027 106.325 48.1994 -23.5481 PRESSAVG: 555000 77.4682 -10.7086 -6.84807 -10.7086 -75.3861 -1.1679 -6.84813 -1.1679 18.3288 GPRESSAVG: 555000 76.1939 -12.1201 -7.34236 -14.8441 -74.7744 -0.293497 -5.43813 -1.13095 19.2866 TIMING: 555000 CPU: 1754.28, 0.00315713/step Wall: 1754.28, 0.00315713/step, 3.89818 hours remaining, 234.875000 MB of memory in use. ENERGY: 555000 3971.5522 20541.7181 14524.0225 250.9449 -203087.6048 2448.6703 0.0000 0.0000 52247.4210 -109103.2759 300.2666 -161350.6969 -108753.4676 298.8542 -8.8839 16.9188 763117.5324 6.8036 6.9020 PRESSURE: 555200 -415.161 150.02 43.4103 150.02 -265.077 -14.2201 43.4102 -14.2208 32.9225 GPRESSURE: 555200 -257.786 54.3443 34.2275 196.759 -357.447 -151.344 100.43 -64.1476 49.3381 PRESSAVG: 555200 -6.44248 11.833 54.2015 11.833 -56.8982 -24.8474 54.2014 -24.8474 13.3539 GPRESSAVG: 555200 -5.08349 12.6321 56.0701 11.9236 -57.2236 -26.6373 52.726 -24.1579 12.2286 TIMING: 555200 CPU: 1754.91, 0.00314728/step Wall: 1754.91, 0.00314728/step, 3.88585 hours remaining, 234.875000 MB of memory in use. ENERGY: 555200 3987.9563 20603.9995 14514.7287 250.8039 -202967.7689 2542.1784 0.0000 0.0000 51908.9340 -109159.1683 298.3214 -161068.1022 -108804.4374 299.5017 -215.7718 -188.6317 763036.9861 -16.6623 -16.6928 PRESSURE: 555400 205.251 -42.5005 -178.975 -42.5007 -69.8677 -241.237 -178.975 -241.238 48.2893 GPRESSURE: 555400 141.39 -136.914 -110.28 -131.353 43.5535 -249.751 -206.454 -191.231 78.4677 PRESSAVG: 555400 30.4728 3.15633 -46.7794 3.15632 -32.1785 -32.6612 -46.7794 -32.6611 -2.74143 GPRESSAVG: 555400 29.9589 5.91957 -49.1499 1.53674 -32.8146 -31.0146 -46.7459 -33.3314 -1.53398 TIMING: 555400 CPU: 1755.54, 0.00316282/step Wall: 1755.54, 0.00316282/step, 3.90485 hours remaining, 234.875000 MB of memory in use. ENERGY: 555400 3974.7585 20543.9909 14559.4141 253.7463 -203118.8480 2569.6724 0.0000 0.0000 52133.8894 -109083.3763 299.6142 -161217.2657 -108718.1512 299.5773 61.2240 87.8037 762938.3704 -1.4824 -1.4632 PRESSURE: 555600 -90.4441 -22.8459 241.338 -22.8462 -231.357 78.2533 241.339 78.2519 -517.329 GPRESSURE: 555600 -98.1092 -43.003 280.082 41.6637 -245.436 212.996 315.724 -51.7502 -405.287 PRESSAVG: 555600 28.8252 16.9287 -23.7364 16.9287 -6.949 13.4305 -23.7364 13.4305 -26.6604 GPRESSAVG: 555600 29.5335 13.9378 -23.417 20.4188 -5.68781 12.0127 -22.3942 12.3182 -28.1503 TIMING: 555600 CPU: 1756.18, 0.00317454/step Wall: 1756.18, 0.00317454/step, 3.91914 hours remaining, 234.875000 MB of memory in use. ENERGY: 555600 4014.8414 20512.3326 14492.3565 252.2079 -202674.2124 2145.6021 0.0000 0.0000 52257.0939 -108999.7780 300.3222 -161256.8719 -108645.0665 300.1074 -279.7101 -249.6107 762923.0115 -1.5947 -1.4349 PRESSURE: 555800 269.262 276.458 229.801 276.458 -239.448 -126.948 229.802 -126.948 49.0292 GPRESSURE: 555800 224.034 257.036 225.481 381.948 -114.193 -48.4893 223.689 -34.9523 66.9069 PRESSAVG: 555800 61.3343 -13.6368 67.9921 -13.6368 -27.78 -77.4976 67.9921 -77.4976 -26.788 GPRESSAVG: 555800 59.6833 -12.0784 69.0224 -13.8538 -27.8518 -77.521 68.8637 -76.6038 -25.5448 TIMING: 555800 CPU: 1756.81, 0.00316956/step Wall: 1756.81, 0.00316956/step, 3.91282 hours remaining, 234.875000 MB of memory in use. ENERGY: 555800 4070.0035 20730.3616 14507.6946 246.6914 -202982.5682 2664.5840 0.0000 0.0000 51786.7895 -108976.4437 297.6194 -160763.2332 -108615.5951 299.8060 26.2812 58.9161 761421.4217 2.2555 2.0956 PRESSURE: 556000 16.2795 222.066 -70.5617 222.066 -164.643 -46.1774 -70.5614 -46.1768 -83.3464 GPRESSURE: 556000 42.036 166.961 -113.91 157.794 -97.1093 -97.4167 14.9925 -3.67574 -101.3 PRESSAVG: 556000 80.0157 38.077 53.2251 38.077 -70.4015 -7.4622 53.225 -7.46227 -1.94659 GPRESSAVG: 556000 80.089 38.2758 51.1361 36.5684 -69.5259 -7.87306 52.6435 -6.97155 -3.36934 TIMING: 556000 CPU: 1757.45, 0.00318001/step Wall: 1757.45, 0.00318001/step, 3.92554 hours remaining, 234.875000 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: 556000 3936.3395 20575.4145 14474.5297 242.7731 -203160.0700 2634.6631 0.0000 0.0000 52424.2330 -108872.1170 301.2828 -161296.3501 -108498.2226 300.1218 -77.2367 -52.1244 762575.8741 2.5559 2.3979 PRESSURE: 556200 138.466 -152.299 -48.8543 -152.299 318.975 152.967 -48.8531 152.966 -148.545 GPRESSURE: 556200 196.9 -108.652 -29.9876 -183.403 298.725 163.441 62.5375 179.678 -122.383 PRESSAVG: 556200 39.3417 -8.12556 10.5721 -8.12571 -14.7354 -16.9894 10.5721 -16.9895 10.816 GPRESSAVG: 556200 40.9356 -8.05868 11.7314 -8.17841 -16.0313 -16.744 10.8763 -18.3119 10.9282 TIMING: 556200 CPU: 1758.09, 0.00318307/step Wall: 1758.09, 0.00318307/step, 3.92915 hours remaining, 234.875000 MB of memory in use. ENERGY: 556200 4011.9404 20622.5572 14526.2386 242.5781 -203114.7555 2539.4573 0.0000 0.0000 52192.0130 -108979.9708 299.9482 -161171.9838 -108621.9795 299.9163 102.9655 124.4139 761984.2519 11.8074 11.9442 LDB: ============= START OF LOAD BALANCING ============== 1770.62 LDB: ============== END OF LOAD BALANCING =============== 1770.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1770.62 LDB: ============= START OF LOAD BALANCING ============== 1770.94 LDB: Largest compute 7058 load 0.029247 is 15.0% of average load 0.195303 LDB: Average compute 0.004369 is 2.2% of average load 0.195303 LDB: TIME 1770.94 LOAD: AVG 0.195303 MAX 0.211394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.797 MB LDB: TIME 1770.94 LOAD: AVG 0.195303 MAX 0.211394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: TIME 1770.94 LOAD: AVG 0.195303 MAX 0.211394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: ============== END OF LOAD BALANCING =============== 1770.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1770.95 PRESSURE: 556400 175.811 0.0573555 118.143 0.0565319 307.429 147.175 118.144 147.175 -24.209 GPRESSURE: 556400 135.077 -88.6069 86.3046 -53.1542 362.662 116.603 65.3036 244.934 34.7867 PRESSAVG: 556400 19.3596 48.0839 -9.82362 48.0839 -22.9109 -15.1449 -9.82365 -15.1449 21.0875 GPRESSAVG: 556400 18.6755 48.8469 -9.78125 46.6761 -22.4534 -13.7281 -10.3998 -13.5716 20.9816 TIMING: 556400 CPU: 1758.73, 0.00324426/step Wall: 1758.73, 0.00324426/step, 4.00449 hours remaining, 233.625000 MB of memory in use. ENERGY: 556400 4020.4948 20584.8847 14566.3646 265.6154 -203143.7596 2654.8177 0.0000 0.0000 52080.7785 -108970.8038 299.3089 -161051.5823 -108606.6724 300.0332 153.0105 177.5088 761062.5767 5.8454 5.7346 PRESSURE: 556600 -69.094 82.4245 -84.6316 82.4231 34.9427 -117.347 -84.6313 -117.346 -185.893 GPRESSURE: 556600 -53.3547 91.6104 -139.269 22.9069 115.731 -68.786 27.7385 -142.66 -183.613 PRESSAVG: 556600 38.5835 4.71953 29.4742 4.71951 -26.8166 9.02264 29.4742 9.02267 1.3939 GPRESSAVG: 556600 38.2897 4.81988 30.9615 6.67771 -26.8926 8.10003 29.0506 8.47136 2.10209 TIMING: 556600 CPU: 1759.37, 0.00317788/step Wall: 1759.37, 0.00317788/step, 3.92239 hours remaining, 233.898438 MB of memory in use. ENERGY: 556600 4058.0762 20544.7684 14596.1475 257.5948 -203209.4549 2444.5090 0.0000 0.0000 52306.3147 -109002.0444 300.6051 -161308.3591 -108649.9201 299.7762 -73.3481 -40.4121 760107.8358 4.3869 4.4997 PRESSURE: 556800 30.4506 185.831 -1.62151 185.831 -104.705 50.9799 -1.62158 50.9776 186.463 GPRESSURE: 556800 123.506 109.759 -70.7556 167.956 16.8651 1.74811 80.6658 17.3571 76.2749 PRESSAVG: 556800 36.0698 23.3303 -7.03399 23.3303 -25.6511 7.9745 -7.03394 7.97454 11.6176 GPRESSAVG: 556800 36.976 22.7104 -8.89281 23.4694 -25.2653 8.32454 -6.98334 7.0902 10.0292 TIMING: 556800 CPU: 1760.01, 0.00319208/step Wall: 1760.01, 0.00319208/step, 3.93974 hours remaining, 233.898438 MB of memory in use. ENERGY: 556800 3925.0200 20461.8311 14519.1647 231.1503 -203419.7324 2552.1883 0.0000 0.0000 52307.8596 -109422.5184 300.6140 -161730.3780 -109057.3407 299.1954 37.4029 72.2153 760063.0739 7.3454 7.2466 PRESSURE: 557000 68.8529 130.122 252.158 130.121 56.0273 -35.7718 252.158 -35.7711 154.7 GPRESSURE: 557000 78.4958 170.421 259.954 57.0961 119.365 -76.1898 190.159 -13.2369 166.019 PRESSAVG: 557000 -33.0129 -37.3067 11.8695 -37.3068 16.3264 6.92643 11.8694 6.92645 19.4358 GPRESSAVG: 557000 -33.2089 -36.7143 11.7555 -36.8202 15.0368 6.76134 13.5365 7.5897 21.1497 TIMING: 557000 CPU: 1760.65, 0.00318461/step Wall: 1760.65, 0.00318461/step, 3.93034 hours remaining, 233.898438 MB of memory in use. ENERGY: 557000 3918.7329 20520.0778 14475.0801 244.1717 -203360.5194 2635.7646 0.0000 0.0000 52345.2583 -109221.4340 300.8289 -161566.6924 -108860.9209 299.2478 93.1935 121.2934 760511.0456 0.9164 0.9925 PRESSURE: 557200 223.686 -15.5463 -21.6253 -15.547 -187.762 -26.513 -21.6254 -26.5132 608.727 GPRESSURE: 557200 303.885 43.0311 -84.132 -40.8647 -133.739 -4.13155 54.4974 -26.9547 573.137 PRESSAVG: 557200 42.9756 5.10375 -6.897 5.10373 -21.0323 -2.62976 -6.89703 -2.6297 3.90813 GPRESSAVG: 557200 42.8454 5.73251 -6.20471 3.49686 -19.9403 -2.92611 -8.49338 -2.02876 3.46685 TIMING: 557200 CPU: 1761.28, 0.00317281/step Wall: 1761.28, 0.00317281/step, 3.9156 hours remaining, 234.207031 MB of memory in use. ENERGY: 557200 3975.9936 20577.9486 14566.6405 263.8583 -203683.5282 2910.7566 0.0000 0.0000 52073.2662 -109315.0644 299.2658 -161388.3306 -108953.3609 299.3780 214.8835 247.7611 760384.9109 8.6172 8.7907 PRESSURE: 557400 3.69262 -84.8172 -219.197 -84.8171 -55.7183 -86.3513 -219.197 -86.351 587.479 GPRESSURE: 557400 -11.3393 -159.926 -226.809 74.1513 17.565 -101.835 -150.5 -110.725 614.907 PRESSAVG: 557400 -45.7763 -26.2241 12.2372 -26.2242 17.3252 19.5499 12.2373 19.5498 5.04761 GPRESSAVG: 557400 -44.8758 -26.9017 11.5068 -26.149 18.2757 18.8629 12.7625 20.2582 3.66747 TIMING: 557400 CPU: 1761.92, 0.00318952/step Wall: 1761.92, 0.00318952/step, 3.93605 hours remaining, 234.207031 MB of memory in use. ENERGY: 557400 4011.4944 20494.2205 14493.2176 252.4451 -203867.1381 2810.8910 0.0000 0.0000 52278.4641 -109526.4055 300.4451 -161804.8696 -109159.4183 299.4800 178.4846 207.0441 760102.8483 -7.8011 -7.6442 PRESSURE: 557600 419.405 -20.9698 -115.051 -20.9704 -29.8149 11.7925 -115.052 11.7908 -111.061 GPRESSURE: 557600 483.262 -167.714 -143.599 85.3439 -12.7362 83.1229 -62.7409 45.2513 -118.843 PRESSAVG: 557600 5.57873 31.5606 -9.19245 31.5606 -23.9049 -52.2137 -9.19257 -52.2137 11.6961 GPRESSAVG: 557600 5.17803 32.3729 -8.00466 31.0313 -24.3849 -51.6929 -10.4793 -54.3353 12.3956 TIMING: 557600 CPU: 1762.56, 0.00319359/step Wall: 1762.56, 0.00319359/step, 3.94089 hours remaining, 234.207031 MB of memory in use. ENERGY: 557600 3921.9480 20507.3536 14606.2224 244.8129 -203600.9808 2757.8146 0.0000 0.0000 52010.4324 -109552.3969 298.9047 -161562.8293 -109185.2474 298.7703 92.8428 117.2277 761755.0238 -2.2100 -2.2704 PRESSURE: 557800 -128.892 169.137 110.589 169.138 -309.603 -338.757 110.589 -338.757 -91.5641 GPRESSURE: 557800 -113.534 250.003 105.529 151.404 -268.446 -262.974 90.987 -213.051 -62.2595 PRESSAVG: 557800 19.8564 -12.5171 -69.1073 -12.517 -50.8296 -0.152697 -69.1073 -0.152662 0.516525 GPRESSAVG: 557800 19.5672 -14.2601 -68.335 -10.7218 -51.251 1.30346 -68.7626 1.32253 1.09358 TIMING: 557800 CPU: 1763.19, 0.00318247/step Wall: 1763.19, 0.00318247/step, 3.92699 hours remaining, 234.207031 MB of memory in use. ENERGY: 557800 3967.8362 20684.1395 14527.0669 243.4130 -203347.2999 2606.3613 0.0000 0.0000 51897.0722 -109421.4108 298.2532 -161318.4830 -109066.8890 298.9053 -176.6863 -148.0800 761602.0736 -10.1522 -10.1967 PRESSURE: 558000 81.8659 91.7862 55.5537 91.7874 276.225 -42.3295 55.5541 -42.3286 387.935 GPRESSURE: 558000 179.941 154.119 25.0841 100.803 220.758 -73.5396 32.3545 -114.132 439.103 PRESSAVG: 558000 -28.4996 0.92211 8.50809 0.922145 3.93891 0.113378 8.50805 0.113346 -4.85546 GPRESSAVG: 558000 -28.1886 1.30271 6.41922 -0.319271 4.09065 -1.37687 10.032 0.426467 -5.90157 TIMING: 558000 CPU: 1763.83, 0.00319908/step Wall: 1763.83, 0.00319908/step, 3.94731 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: 558000 4055.1800 20404.0416 14525.9652 253.0542 -204079.8639 2981.2567 0.0000 0.0000 52077.2124 -109783.1538 299.2885 -161860.3661 -109422.1077 298.6236 248.6752 279.9343 761076.6394 -9.8054 -9.9998 PRESSURE: 558200 47.9132 172.826 -321.796 172.826 180.284 90.2266 -321.795 90.2257 508.674 GPRESSURE: 558200 -50.569 123.822 -204.741 197.919 258.687 50.1189 -232.36 -53.8433 616.094 PRESSAVG: 558200 37.6145 45.7132 -27.6287 45.7132 -56.1867 -25.0965 -27.6287 -25.0965 7.22269 GPRESSAVG: 558200 36.1247 46.226 -28.7643 47.3065 -55.9666 -24.9646 -26.858 -28.2615 8.33641 TIMING: 558200 CPU: 1764.47, 0.00316853/step Wall: 1764.47, 0.00316853/step, 3.90944 hours remaining, 234.207031 MB of memory in use. ENERGY: 558200 3886.5609 20606.9191 14603.5430 233.7960 -203616.9019 2759.0927 0.0000 0.0000 51701.6577 -109825.3325 297.1301 -161526.9901 -109474.9480 298.5577 245.6239 274.7375 761059.6489 -3.7832 -3.8352 PRESSURE: 558400 -283.954 65.8457 -55.8762 65.847 85.3441 277.293 -55.876 277.294 -408.863 GPRESSURE: 558400 -199.451 -72.1969 -46.44 153.084 -10.2099 250.15 -118.598 257.362 -308.172 PRESSAVG: 558400 3.30017 4.71058 -13.5843 4.71065 33.1038 -17.3449 -13.5843 -17.3449 1.04902 GPRESSAVG: 558400 3.5866 4.91451 -11.6021 4.23982 32.7976 -16.7911 -15.9424 -16.1552 0.33571 TIMING: 558400 CPU: 1765.1, 0.00318006/step Wall: 1765.1, 0.00318006/step, 3.92349 hours remaining, 234.207031 MB of memory in use. ENERGY: 558400 4040.3494 20414.8020 14510.1044 250.6426 -203362.5966 2513.1864 0.0000 0.0000 51852.9944 -109780.5174 297.9999 -161633.5118 -109413.4115 298.3988 -202.4910 -172.6109 761944.7783 12.4843 12.2400 PRESSURE: 558600 -187.122 26.8899 13.6776 26.8893 -297.203 -134.883 13.6774 -134.882 -135.313 GPRESSURE: 558600 -105.102 46.8067 -23.7686 95.5129 -246.507 -183.168 152.677 -33.8704 -183.571 PRESSAVG: 558600 2.624 17.6334 25.7137 17.6334 11.6398 -7.19604 25.7137 -7.19611 20.8235 GPRESSAVG: 558600 3.01147 17.0404 23.9557 17.1152 10.9551 -6.73977 28.7804 -6.6767 21.3758 TIMING: 558600 CPU: 1765.74, 0.00317333/step Wall: 1765.74, 0.00317333/step, 3.91501 hours remaining, 234.207031 MB of memory in use. ENERGY: 558600 3939.3500 20490.4585 14629.8761 246.7271 -203414.4504 2678.6430 0.0000 0.0000 51800.3577 -109629.0381 297.6974 -161429.3958 -109273.0518 298.1270 -206.5457 -178.3933 762448.3126 11.6958 11.7808 PRESSURE: 558800 267.522 -119.912 -94.7829 -119.912 147.512 20.8454 -94.7835 20.8442 -88.1576 GPRESSURE: 558800 325.682 -127.403 -54.0731 -40.4754 163.701 65.7303 -170.676 41.3967 -97.3863 PRESSAVG: 558800 -18.3124 12.0866 -52.528 12.0866 -13.1743 -19.6655 -52.528 -19.6654 -3.30312 GPRESSAVG: 558800 -18.055 12.8901 -51.4678 10.6488 -11.7721 -21.6148 -54.6632 -19.1362 -4.88949 TIMING: 558800 CPU: 1766.37, 0.00317865/step Wall: 1766.37, 0.00317865/step, 3.92139 hours remaining, 234.207031 MB of memory in use. ENERGY: 558800 3978.0164 20555.7690 14566.0573 255.1890 -203395.3435 2527.5242 0.0000 0.0000 51943.3657 -109569.4218 298.5192 -161512.7876 -109199.7492 298.2389 108.9587 130.6657 762517.0885 -11.5966 -11.5722 PRESSURE: 559000 -98.2839 111.741 -190.081 111.741 -81.6722 150.494 -190.081 150.494 8.25913 GPRESSURE: 559000 17.5164 79.7317 -167.212 64.6446 -130.133 129.402 -190.755 72.5001 57.4997 PRESSAVG: 559000 11.2346 -46.5424 -32.2869 -46.5423 -14.989 61.7989 -32.2869 61.7989 -25.091 GPRESSAVG: 559000 10.4834 -48.4782 -32.8557 -45.4337 -16.1165 62.5987 -31.1789 61.975 -23.1678 TIMING: 559000 CPU: 1767.01, 0.00320885/step Wall: 1767.01, 0.00320885/step, 3.95847 hours remaining, 234.207031 MB of memory in use. ENERGY: 559000 4031.0456 20522.9219 14598.7674 234.4107 -203556.8997 2736.5492 0.0000 0.0000 52086.3732 -109346.8317 299.3411 -161433.2049 -108982.8992 299.0722 -57.2323 -18.3724 761637.3764 -9.6151 -9.6003 PRESSURE: 559200 -12.2505 41.891 -18.8747 41.8913 -206.36 -4.78409 -18.876 -4.78462 211.098 GPRESSURE: 559200 53.3782 38.5408 5.84685 -80.1141 -200.779 -103.337 115.69 -78.9217 245.141 PRESSAVG: 559200 1.01201 -37.0984 -13.7181 -37.0984 -7.80099 17.0438 -13.7181 17.0437 -4.25167 GPRESSAVG: 559200 1.07762 -34.501 -12.3668 -37.0934 -8.03799 16.1574 -13.5506 16.7802 -3.91424 TIMING: 559200 CPU: 1767.65, 0.00317853/step Wall: 1767.65, 0.00317853/step, 3.9209 hours remaining, 234.207031 MB of memory in use. ENERGY: 559200 4044.5229 20627.9156 14535.9779 246.6705 -203552.9306 2747.4112 0.0000 0.0000 52138.6413 -109211.7912 299.6415 -161350.4325 -108855.9744 299.6244 -2.5042 32.5799 762136.5449 -3.6802 -3.6249 PRESSURE: 559400 198.641 -126.85 -66.4921 -126.85 10.1445 -107.163 -66.492 -107.163 -224.52 GPRESSURE: 559400 167.683 -75.4594 -144.283 -92.6805 114.386 -98.7386 -225.544 -44.0749 -211.644 PRESSAVG: 559400 -28.028 10.5871 -17.6214 10.5871 7.04305 -74.6854 -17.6215 -74.6853 -8.16759 GPRESSAVG: 559400 -27.9158 8.02136 -18.1754 11.5451 7.2127 -73.4714 -18.4473 -74.0828 -8.8845 TIMING: 559400 CPU: 1768.29, 0.00318542/step Wall: 1768.29, 0.00318542/step, 3.92921 hours remaining, 234.207031 MB of memory in use. ENERGY: 559400 4136.0782 20534.3681 14583.9513 238.8311 -203459.4433 2691.5053 0.0000 0.0000 52055.9423 -109218.7670 299.1662 -161274.7093 -108855.4656 299.2843 -5.2449 23.4749 760804.6512 -9.7175 -9.8625 PRESSURE: 559600 -115.615 -240.136 -121.288 -240.136 124.867 65.0429 -121.288 65.0426 -141.637 GPRESSURE: 559600 -49.9951 -222.379 -66.1993 -132.269 124.483 61.6938 -70.0436 14.9231 -119.268 PRESSAVG: 559600 44.6923 -7.901 -44.4148 -7.90104 -6.43898 -20.2784 -44.4148 -20.2782 -15.2311 GPRESSAVG: 559600 44.8372 -7.11315 -45.4924 -7.94745 -6.00613 -19.5232 -42.4545 -21.2091 -15.3663 TIMING: 559600 CPU: 1768.92, 0.00315982/step Wall: 1768.92, 0.00315982/step, 3.89746 hours remaining, 234.207031 MB of memory in use. ENERGY: 559600 3956.4713 20610.6144 14642.1998 262.4615 -203607.4247 2736.2827 0.0000 0.0000 51950.1498 -109449.2453 298.5582 -161399.3951 -109085.7916 299.1360 -44.1283 -14.9268 760362.3617 7.6741 7.8216 PRESSURE: 559800 187.922 -11.1483 69.471 -11.1488 10.5142 34.9584 69.4704 34.9587 224.148 GPRESSURE: 559800 273.552 -39.046 107.473 -21.7734 38.0708 105.583 -1.39525 119.861 207.256 PRESSAVG: 559800 32.7268 -1.06992 18.028 -1.06991 -23.5955 -25.5633 18.028 -25.5633 -12.1171 GPRESSAVG: 559800 32.9758 -0.309288 18.4388 -0.962061 -22.8091 -25.6434 16.1302 -25.2651 -13.0651 TIMING: 559800 CPU: 1769.56, 0.00318002/step Wall: 1769.56, 0.00318002/step, 3.92221 hours remaining, 234.207031 MB of memory in use. ENERGY: 559800 3945.1076 20503.5561 14565.0941 244.4309 -203567.7006 2666.2282 0.0000 0.0000 51986.1183 -109657.1654 298.7649 -161643.2837 -109292.5214 298.9135 140.8617 172.9598 760882.1636 -0.9953 -0.9661 PRESSURE: 560000 -0.298833 -67.041 41.1502 -67.0425 37.1621 101.854 41.1497 101.854 -202.784 GPRESSURE: 560000 60.0137 42.1389 3.51195 0.13243 -56.0009 167.383 95.0808 69.7294 -98.4695 PRESSAVG: 560000 27.108 -18.9717 -7.66263 -18.9717 -20.0295 58.7784 -7.66256 58.7785 -10.5976 GPRESSAVG: 560000 25.8185 -18.606 -7.46995 -18.0593 -20.9764 59.7797 -8.09444 58.3829 -8.90218 TIMING: 560000 CPU: 1770.19, 0.00317525/step Wall: 1770.19, 0.00317525/step, 3.91614 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: 560000 4115.7997 20640.1632 14543.0900 246.6645 -204272.6439 3023.9675 0.0000 0.0000 51929.7877 -109773.1714 298.4412 -161702.9591 -109416.1982 298.4860 -55.3068 -31.4856 759231.8956 -1.1730 -1.3534 PRESSURE: 560200 -180.794 20.558 243.902 20.5576 -73.9308 -96.8428 243.903 -96.8419 -87.0172 GPRESSURE: 560200 -197.273 -23.031 286.179 43.6947 6.33377 -156.293 289.534 -113.675 -93.7626 PRESSAVG: 560200 50.3121 -38.0205 -16.976 -38.0205 -68.7322 26.7341 -16.976 26.7341 -0.0559525 GPRESSAVG: 560200 50.9564 -37.0676 -16.547 -40.6837 -68.3285 24.2134 -15.6271 29.3594 -1.03904 TIMING: 560200 CPU: 1770.82, 0.00313217/step Wall: 1770.82, 0.00313217/step, 3.86284 hours remaining, 234.207031 MB of memory in use. ENERGY: 560200 3999.9087 20620.4134 14596.0025 233.3605 -203818.9668 2676.3156 0.0000 0.0000 52035.5602 -109657.4058 299.0491 -161692.9660 -109292.2995 298.6693 -113.9139 -94.9005 760463.6500 -6.1587 -6.1370 LDB: ============= START OF LOAD BALANCING ============== 1783.35 LDB: ============== END OF LOAD BALANCING =============== 1783.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1783.35 LDB: ============= START OF LOAD BALANCING ============== 1783.66 LDB: Largest compute 7032 load 0.030478 is 15.6% of average load 0.195246 LDB: Average compute 0.004383 is 2.2% of average load 0.195246 LDB: TIME 1783.66 LOAD: AVG 0.195246 MAX 0.213967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.762 MB LDB: TIME 1783.66 LOAD: AVG 0.195246 MAX 0.213967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: TIME 1783.66 LOAD: AVG 0.195246 MAX 0.213967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.801 MB LDB: ============== END OF LOAD BALANCING =============== 1783.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1783.67 PRESSURE: 560400 346.625 165.352 16.5597 165.353 -215.187 15.3921 16.5593 15.3928 152.335 GPRESSURE: 560400 416.335 223.878 -5.10487 103.578 -255.153 -62.888 226.703 29.3698 195.61 PRESSAVG: 560400 82.2864 -32.3541 29.3769 -32.3541 -27.7549 48.2279 29.3769 48.2279 7.11461 GPRESSAVG: 560400 82.8242 -33.6275 29.0568 -31.5955 -28.739 48.169 29.3238 46.9334 8.09672 TIMING: 560400 CPU: 1771.45, 0.0031883/step Wall: 1771.45, 0.0031883/step, 3.93188 hours remaining, 233.273438 MB of memory in use. ENERGY: 560400 4045.6103 20834.9642 14505.6147 235.2923 -203964.2127 2842.5360 0.0000 0.0000 52014.4325 -109485.7627 298.9277 -161500.1952 -109121.3255 298.6977 94.5911 118.9305 759301.8100 20.5487 20.7273 PRESSURE: 560600 -49.5467 -289.28 -160.563 -289.281 -113.967 -53.7613 -160.563 -53.7617 -19.65 GPRESSURE: 560600 -0.756508 -302.99 -93.197 -224.733 -131.44 -34.7812 -150.535 -64.7617 53.5544 PRESSAVG: 560600 30.6396 -63.6785 4.82854 -63.6786 -37.3232 57.8494 4.82856 57.8493 -1.11153 GPRESSAVG: 560600 30.1091 -63.6596 6.12884 -63.2984 -36.385 58.3968 4.3331 58.7515 -1.47048 TIMING: 560600 CPU: 1772.08, 0.00314762/step Wall: 1772.08, 0.00314762/step, 3.88154 hours remaining, 233.515625 MB of memory in use. ENERGY: 560600 3948.0929 20631.0399 14535.0350 233.3867 -203560.5873 2688.8180 0.0000 0.0000 52022.6089 -109501.6059 298.9746 -161524.2148 -109143.4911 299.3057 -61.0544 -26.2142 761681.3334 -2.5984 -2.5821 PRESSURE: 560800 212.373 46.1202 9.99954 46.1197 5.1945 162.679 9.99917 162.678 90.6344 GPRESSURE: 560800 280.684 83.3206 -52.7716 46.1105 -3.17082 94.6429 -27.517 182.297 125.631 PRESSAVG: 560800 28.5644 -13.9157 30.9125 -13.9157 9.63148 -11.9272 30.9125 -11.9272 -8.55957 GPRESSAVG: 560800 29.1607 -14.063 28.7659 -15.284 8.91446 -12.0095 30.9578 -13.0617 -8.18902 TIMING: 560800 CPU: 1772.71, 0.00314419/step Wall: 1772.71, 0.00314419/step, 3.87714 hours remaining, 233.515625 MB of memory in use. ENERGY: 560800 4046.7334 20467.1667 14648.4032 233.8831 -203812.2463 2817.0298 0.0000 0.0000 52105.0033 -109494.0268 299.4482 -161599.0301 -109119.7298 299.1963 102.7339 134.3814 759407.9738 9.8788 9.9620 PRESSURE: 561000 -168.682 13.3642 113.757 13.3641 -203.553 28.8136 113.757 28.8133 -215.331 GPRESSURE: 561000 -192.705 -9.92153 168.918 92.3869 -99.6887 129.837 -56.5459 41.1631 -222.375 PRESSAVG: 561000 -21.5084 -26.0571 -13.5309 -26.0571 -15.9419 14.3799 -13.5309 14.3799 10.7682 GPRESSAVG: 561000 -22.3028 -26.7215 -13.1164 -23.3582 -14.4456 14.3492 -14.4087 16.8594 9.8328 TIMING: 561000 CPU: 1773.34, 0.00315943/step Wall: 1773.34, 0.00315943/step, 3.89575 hours remaining, 233.515625 MB of memory in use. ENERGY: 561000 3967.2280 20477.0775 14583.4776 240.5137 -203364.6941 2498.4396 0.0000 0.0000 51954.0000 -109643.9577 298.5804 -161597.9577 -109279.7946 298.6349 -195.8552 -171.5894 761823.3158 -8.8940 -8.9718 PRESSURE: 561200 -174.367 29.5074 136.693 29.5074 -159.079 55.032 136.693 55.0306 63.1749 GPRESSURE: 561200 -141.851 134.214 -9.21412 19.35 -154.988 -69.8545 88.3538 35.2483 119.838 PRESSAVG: 561200 17.8312 -39.2082 -8.87383 -39.2082 -0.62457 19.9505 -8.87383 19.9505 -25.067 GPRESSAVG: 561200 17.3454 -37.5074 -8.11857 -40.8389 -0.727694 20.5635 -6.77247 18.9847 -24.5466 TIMING: 561200 CPU: 1773.97, 0.00313438/step Wall: 1773.97, 0.00313439/step, 3.8647 hours remaining, 233.515625 MB of memory in use. ENERGY: 561200 4018.6693 20556.8417 14648.8273 230.6826 -203651.1447 2676.3005 0.0000 0.0000 51975.2134 -109544.6099 298.7023 -161519.8233 -109177.2702 298.6204 -90.0904 -59.0004 762320.7526 -2.6201 -2.6430 PRESSURE: 561400 -265.81 47.6505 -68.0416 47.6484 -183.559 -124.34 -68.0417 -124.341 -140.042 GPRESSURE: 561400 -255.411 -48.8637 -71.5594 -56.0578 -132.231 -189.485 -183.689 -26.9024 -111.752 PRESSAVG: 561400 33.5096 9.63733 -17.7441 9.63733 -37.2688 -43.1783 -17.7441 -43.1782 5.95916 GPRESSAVG: 561400 36.0833 8.73746 -18.1283 10.5197 -39.1206 -43.0996 -17.1756 -45.419 5.64227 TIMING: 561400 CPU: 1774.6, 0.00314145/step Wall: 1774.6, 0.00314145/step, 3.87323 hours remaining, 233.515625 MB of memory in use. ENERGY: 561400 4002.7441 20648.5427 14637.8852 237.2669 -203622.3657 2596.3615 0.0000 0.0000 51938.5155 -109561.0500 298.4914 -161499.5654 -109198.7182 298.7410 -196.4702 -166.4648 759777.5373 0.7333 0.8683 PRESSURE: 561600 -111.901 224.812 -232.856 224.812 -190.178 240.138 -232.856 240.137 -164.858 GPRESSURE: 561600 30.8167 153.138 -224.631 208.752 -227.361 171.968 -203.654 315.675 -187.74 PRESSAVG: 561600 38.9433 -9.65209 -0.857053 -9.65207 -51.0761 43.5983 -0.857145 43.5982 -2.84017 GPRESSAVG: 561600 37.7458 -11.4474 -1.47394 -9.6746 -50.5019 43.1915 -3.56241 46.753 -2.41904 TIMING: 561600 CPU: 1775.23, 0.00314402/step Wall: 1775.23, 0.00314402/step, 3.87623 hours remaining, 233.515625 MB of memory in use. ENERGY: 561600 3934.9562 20374.8674 14695.1976 231.1000 -203879.8160 2699.6619 0.0000 0.0000 52191.2665 -109752.7664 299.9439 -161944.0330 -109380.0150 298.6249 -155.6459 -128.0948 761143.8880 -4.9910 -5.0584 PRESSURE: 561800 7.90005 102.881 260.711 102.882 194.543 1.66644 260.711 1.66759 81.1473 GPRESSURE: 561800 116.968 214.92 257.935 124.973 216.419 62.5154 130.491 -40.0978 47.6534 PRESSAVG: 561800 1.56375 11.381 -22.073 11.381 -22.015 57.4446 -22.0731 57.4446 12.2569 GPRESSAVG: 561800 2.8503 14.6788 -19.3572 9.63249 -22.5013 56.2242 -22.2597 57.1807 11.8317 TIMING: 561800 CPU: 1775.85, 0.00312808/step Wall: 1775.85, 0.00312808/step, 3.8564 hours remaining, 233.515625 MB of memory in use. ENERGY: 561800 3985.0518 20618.4272 14616.5261 253.7439 -204084.6014 3002.4630 0.0000 0.0000 52122.6341 -109485.7553 299.5495 -161608.3894 -109135.9086 298.3687 94.5300 127.0136 759818.9161 -2.7315 -2.6064 PRESSURE: 562000 -34.0013 -40.0225 23.0861 -40.0219 108.571 156.111 23.0853 156.111 -205.273 GPRESSURE: 562000 -48.7111 -81.7614 -48.8181 -118.546 119.885 120.278 21.5402 49.8716 -126.277 PRESSAVG: 562000 7.74898 35.9258 8.42363 35.9258 -19.8214 23.4774 8.42365 23.4774 -19.6288 GPRESSAVG: 562000 7.25163 35.2949 6.31805 36.7429 -18.7789 23.8084 11.1655 22.1641 -19.6673 TIMING: 562000 CPU: 1776.48, 0.00314359/step Wall: 1776.48, 0.00314359/step, 3.87535 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: 562000 3986.9654 20523.5785 14550.2878 242.9119 -203560.4965 2749.7960 0.0000 0.0000 52091.8867 -109415.0701 299.3728 -161506.9568 -109049.2866 299.6398 -43.5679 -18.3678 760215.4120 -10.5671 -10.3982 PRESSURE: 562200 -108.229 121.995 -257.89 121.994 229.672 11.4513 -257.89 11.4514 -69.9966 GPRESSURE: 562200 -51.0732 55.9671 -146.184 54.8384 165.072 -9.10497 -220.469 220.11 7.6743 PRESSAVG: 562200 -13.5426 6.87293 27.5444 6.87297 -2.84969 47.6693 27.5444 47.6693 -2.04836 GPRESSAVG: 562200 -13.7234 5.24628 27.7238 8.62027 -3.10508 47.6279 25.7312 48.9148 -1.77738 TIMING: 562200 CPU: 1777.11, 0.00314168/step Wall: 1777.11, 0.00314168/step, 3.87281 hours remaining, 233.718750 MB of memory in use. ENERGY: 562200 3946.0657 20611.2382 14543.4837 248.0220 -203570.3156 2738.6476 0.0000 0.0000 52186.5210 -109296.3374 299.9167 -161482.8585 -108934.9976 299.0329 17.1489 40.5578 760978.9567 -6.1469 -6.2019 PRESSURE: 562400 158.454 12.2628 70.2512 12.2629 -91.923 192.106 70.2514 192.107 144.516 GPRESSURE: 562400 139.632 138.29 102.247 51.3026 21.7021 82.3464 101.377 126.956 135.112 PRESSAVG: 562400 52.4658 -21.5306 -40.8267 -21.5306 -38.5555 -3.24778 -40.8267 -3.24783 2.92094 GPRESSAVG: 562400 51.8079 -22.3692 -39.77 -21.0228 -38.6059 -4.38257 -40.6416 -2.72988 3.63354 TIMING: 562400 CPU: 1777.74, 0.00316145/step Wall: 1777.74, 0.00316145/step, 3.89701 hours remaining, 233.718750 MB of memory in use. ENERGY: 562400 3936.3748 20533.8297 14563.1153 233.0133 -203480.0639 2775.5433 0.0000 0.0000 52115.1443 -109323.0433 299.5065 -161438.1876 -108944.9508 299.3368 70.3490 98.8151 761698.1831 5.6104 5.6118 PRESSURE: 562600 -158.887 -152.677 79.2567 -152.678 75.9898 88.6516 79.2556 88.653 114.228 GPRESSURE: 562600 -68.3082 -82.2834 104.84 -255.376 59.8364 48.421 85.6903 127.977 130.718 PRESSAVG: 562600 30.8464 52.4108 -19.8931 52.4108 -87.6572 31.3381 -19.8931 31.3382 13.6545 GPRESSAVG: 562600 31.3034 53.8427 -19.055 51.5741 -89.0352 33.4106 -18.9744 30.8945 14.1822 TIMING: 562600 CPU: 1778.37, 0.00314459/step Wall: 1778.37, 0.0031446/step, 3.87606 hours remaining, 233.718750 MB of memory in use. ENERGY: 562600 4000.8431 20504.5454 14549.9894 250.9681 -203998.2471 2962.6861 0.0000 0.0000 52213.6351 -109515.5799 300.0725 -161729.2151 -109148.7361 299.2165 10.4436 40.7489 761399.1438 -14.3854 -14.5165 PRESSURE: 562800 157.417 15.5785 -173.014 15.5804 139.489 28.6775 -173.014 28.6769 -35.347 GPRESSURE: 562800 228.712 -3.81181 -141.869 56.9012 91.9467 166.231 -170.569 -41.3708 15.4662 PRESSAVG: 562800 29.5082 -1.57267 -0.909612 -1.57266 -46.6755 54.9834 -0.909569 54.9834 -6.67263 GPRESSAVG: 562800 29.863 -1.13872 -1.93615 -1.1821 -46.7404 56.726 -1.2234 55.8275 -6.84255 TIMING: 562800 CPU: 1779, 0.0031306/step Wall: 1779, 0.0031306/step, 3.85864 hours remaining, 233.718750 MB of memory in use. ENERGY: 562800 3952.7618 20650.3078 14649.6091 238.1078 -203379.7309 2572.7169 0.0000 0.0000 52099.8425 -109216.3849 299.4185 -161316.2275 -108853.7448 299.6317 87.1864 112.0417 761444.4171 -7.9466 -7.9067 PRESSURE: 563000 -175.685 -129.721 64.2483 -129.721 -332.481 88.1513 64.2495 88.1524 -231.232 GPRESSURE: 563000 -90.5831 -85.9567 1.08687 -72.1724 -396.321 104.665 82.5586 69.8827 -193.44 PRESSAVG: 563000 89.9046 8.00974 1.74253 8.0097 -34.073 11.3065 1.74262 11.3065 9.19635 GPRESSAVG: 563000 91.1859 6.85798 2.53783 8.18541 -34.238 8.44701 0.297716 12.4896 7.83099 TIMING: 563000 CPU: 1779.63, 0.00314982/step Wall: 1779.63, 0.00314982/step, 3.88216 hours remaining, 233.718750 MB of memory in use. ENERGY: 563000 3973.1712 20678.7158 14604.4624 243.7173 -203074.2616 2420.3384 0.0000 0.0000 52068.5303 -109085.3262 299.2386 -161153.8565 -108726.4259 299.8066 -246.4663 -226.7814 762295.7735 21.6760 21.5930 PRESSURE: 563200 307.908 109.305 -87.4821 109.305 -235.868 216.372 -87.4816 216.371 120.013 GPRESSURE: 563200 306.591 107.85 -153.032 73.5093 -193.17 271.659 -171.739 323.701 155.481 PRESSAVG: 563200 34.8646 -63.7667 0.881219 -63.7667 -46.7665 45.0894 0.88121 45.0894 -0.636662 GPRESSAVG: 563200 34.4123 -64.8973 -0.796672 -61.6411 -46.2853 46.0765 1.9604 43.147 -0.658676 TIMING: 563200 CPU: 1780.26, 0.00314879/step Wall: 1780.26, 0.00314879/step, 3.88071 hours remaining, 233.718750 MB of memory in use. ENERGY: 563200 4041.7069 20604.5441 14630.9935 246.8651 -203391.8796 2627.8462 0.0000 0.0000 52007.4457 -109232.4781 298.8875 -161239.9238 -108864.3445 299.2592 64.0176 89.6343 760656.9903 -4.1795 -4.1772 PRESSURE: 563400 -185.663 -61.7493 193.344 -61.7493 -31.0275 -5.43927 193.344 -5.4397 320.278 GPRESSURE: 563400 -6.08025 -104.223 181.791 -87.2163 -27.3087 -92.7398 254.691 8.56823 223.685 PRESSAVG: 563400 41.6501 5.23709 24.4459 5.23703 -28.3194 38.2639 24.4459 38.264 16.1607 GPRESSAVG: 563400 42.225 6.02043 24.9361 2.74164 -27.1663 38.6331 24.8744 37.0367 14.7004 TIMING: 563400 CPU: 1780.89, 0.00314913/step Wall: 1780.89, 0.00314913/step, 3.88095 hours remaining, 233.718750 MB of memory in use. ENERGY: 563400 4021.6033 20563.4993 14659.6232 239.8683 -203102.6323 2612.6573 0.0000 0.0000 51936.3864 -109068.9944 298.4791 -161005.3809 -108705.2433 299.8838 34.5291 63.4321 759768.7285 9.8305 9.9197 PRESSURE: 563600 382.309 -82.6481 -39.405 -82.6473 345.585 71.8691 -39.405 71.8693 499.106 GPRESSURE: 563600 415.939 -174.28 2.78217 -72.629 327.634 151.538 -123.076 22.3567 579.311 PRESSAVG: 563600 16.09 -61.3515 23.6294 -61.3515 -2.29688 50.0184 23.6294 50.0183 15.0832 GPRESSAVG: 563600 16.1344 -59.3366 25.7562 -62.2881 -3.27826 48.3846 23.2846 52.184 15.8791 TIMING: 563600 CPU: 1781.52, 0.00314746/step Wall: 1781.52, 0.00314746/step, 3.87871 hours remaining, 233.718750 MB of memory in use. ENERGY: 563600 3988.0498 20420.2640 14654.8298 239.1610 -203787.0600 2899.1648 0.0000 0.0000 52210.8184 -109374.7723 300.0563 -161585.5906 -109012.3443 299.8983 409.0000 440.9610 761155.2474 9.6254 9.5784 PRESSURE: 563800 369.018 20.4546 -129.127 20.4549 142.543 261.645 -129.127 261.646 44.3721 GPRESSURE: 563800 342.641 76.4785 -119.533 -65.3121 197.135 191.482 -17.1883 237.458 104.975 PRESSAVG: 563800 66.3391 3.29616 -40.9203 3.29613 -4.97197 -15.7563 -40.9203 -15.7564 -26.1546 GPRESSAVG: 563800 64.7962 2.02389 -42.1662 3.99906 -4.60869 -13.3686 -40.5922 -17.9163 -24.9951 TIMING: 563800 CPU: 1782.15, 0.00314684/step Wall: 1782.15, 0.00314684/step, 3.87778 hours remaining, 233.718750 MB of memory in use. ENERGY: 563800 4064.0647 20581.8979 14575.7278 248.9730 -203669.3635 2790.2354 0.0000 0.0000 52113.5838 -109294.8809 299.4975 -161408.4647 -108928.1514 299.3183 185.3111 214.9169 760449.7455 11.7375 11.7308 PRESSURE: 564000 -107.552 -74.7625 79.3191 -74.7624 -57.6868 -43.7395 79.3196 -43.7388 -143.301 GPRESSURE: 564000 -68.834 -83.6133 82.0268 -28.0331 -59.2169 -109.995 -118.848 90.7798 -116.401 PRESSAVG: 564000 5.39219 22.1722 7.28366 22.1722 -28.3733 15.9706 7.28361 15.9707 28.0253 GPRESSAVG: 564000 5.84549 20.5832 6.0115 23.8689 -27.5028 13.3246 4.37733 16.381 26.7114 TIMING: 564000 CPU: 1782.77, 0.0031384/step Wall: 1782.77, 0.0031384/step, 3.86721 hours remaining, 233.718750 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: 564000 4079.3526 20410.9388 14635.6537 235.8291 -203315.6966 2641.9564 0.0000 0.0000 51910.8672 -109401.0989 298.3325 -161311.9661 -109040.4845 299.1689 -102.8464 -81.4841 762026.5008 1.6814 1.6847 PRESSURE: 564200 158.546 -63.5796 110.598 -63.5805 -102.302 97.8446 110.597 97.8438 -175.993 GPRESSURE: 564200 241.971 -110.048 86.5552 -127.014 -72.408 98.6289 220.037 21.3297 -215.035 PRESSAVG: 564200 95.6033 -26.8709 -18.3107 -26.8709 -75.7447 -33.2166 -18.3106 -33.2166 -6.38457 GPRESSAVG: 564200 95.2103 -25.8161 -16.12 -29.6582 -76.3996 -30.5355 -17.0169 -33.1732 -4.96606 TIMING: 564200 CPU: 1783.4, 0.00313073/step Wall: 1783.4, 0.00313073/step, 3.85759 hours remaining, 233.718750 MB of memory in use. ENERGY: 564200 4038.8410 20419.2737 14528.1847 235.2180 -203255.7237 2499.9095 0.0000 0.0000 52008.0064 -109526.2906 298.8907 -161534.2970 -109154.2380 298.5786 -39.9164 -15.1573 761236.2614 4.4913 4.6149 LDB: ============= START OF LOAD BALANCING ============== 1795.93 LDB: ============== END OF LOAD BALANCING =============== 1795.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1795.93 LDB: ============= START OF LOAD BALANCING ============== 1796.25 LDB: Largest compute 7026 load 0.030647 is 15.7% of average load 0.195164 LDB: Average compute 0.004379 is 2.2% of average load 0.195164 LDB: TIME 1796.25 LOAD: AVG 0.195164 MAX 0.214585 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.566 MB LDB: TIME 1796.26 LOAD: AVG 0.195164 MAX 0.214585 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 1796.26 LOAD: AVG 0.195164 MAX 0.214585 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 1796.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1796.26 PRESSURE: 564400 117.589 84.3968 -135.678 84.3973 325.994 -133.09 -135.677 -133.09 373.35 GPRESSURE: 564400 220.491 135.47 -140.162 36.417 309.774 -232.935 -161.12 -127.892 371.68 PRESSAVG: 564400 -51.0659 0.529935 -44.836 0.530029 36.9068 -37.6651 -44.836 -37.6651 9.90546 GPRESSAVG: 564400 -50.1286 0.527379 -45.6126 0.943109 35.89 -40.0938 -45.9074 -35.137 10.1384 TIMING: 564400 CPU: 1784.05, 0.00322459/step Wall: 1784.05, 0.00322459/step, 3.97305 hours remaining, 232.832031 MB of memory in use. ENERGY: 564400 3919.0547 20510.5506 14580.9770 262.4000 -203651.4452 2915.3835 0.0000 0.0000 52011.3822 -109451.6973 298.9101 -161463.0795 -109088.6831 298.6492 272.3109 300.6482 762118.8327 -1.4179 -1.3667 PRESSURE: 564600 -156.016 13.7814 37.2005 13.7821 201.567 71.9064 37.2005 71.9062 -83.5812 GPRESSURE: 564600 -118.161 -33.6236 20.5677 90.2564 212.975 28.607 19.9921 123.589 -55.2176 PRESSAVG: 564600 -12.7335 -89.2904 -12.3835 -89.2904 50.3771 -11.9565 -12.3835 -11.9565 7.74076 GPRESSAVG: 564600 -13.3256 -90.2674 -12.5481 -85.0189 51.4355 -12.4678 -12.7957 -14.0968 7.55803 TIMING: 564600 CPU: 1784.68, 0.00315445/step Wall: 1784.68, 0.00315445/step, 3.88645 hours remaining, 232.832031 MB of memory in use. ENERGY: 564600 3966.8364 20437.8168 14629.8932 245.5121 -203579.1223 2835.9053 0.0000 0.0000 52082.5277 -109380.6308 299.3190 -161463.1585 -109009.7894 299.1464 -12.6768 13.1989 763323.2257 15.1281 15.2226 PRESSURE: 564800 41.8274 113.67 -202.096 113.67 -257.331 112.963 -202.095 112.963 184.717 GPRESSURE: 564800 75.0702 61.581 -211.561 114.288 -125.853 226.664 -230.019 66.67 121.892 PRESSAVG: 564800 14.4175 -4.28788 -34.5189 -4.2879 15.7181 -47.0117 -34.5189 -47.0117 5.49166 GPRESSAVG: 564800 14.4309 -2.47588 -34.8611 -7.78948 15.5842 -44.9709 -32.8427 -46.2506 5.37969 TIMING: 564800 CPU: 1785.31, 0.00315612/step Wall: 1785.31, 0.00315612/step, 3.88834 hours remaining, 232.832031 MB of memory in use. ENERGY: 564800 3943.6293 20436.1459 14577.7975 254.2960 -203769.9355 2960.6866 0.0000 0.0000 52025.5240 -109571.8564 298.9914 -161597.3804 -109216.5708 298.7545 -10.2623 23.7032 763671.3140 11.8758 11.7983 PRESSURE: 565000 -36.1435 35.8476 -312.59 35.848 179.342 111.265 -312.59 111.264 -215.137 GPRESSURE: 565000 -28.7559 57.3046 -375.588 96.3269 257.262 163.975 -181.006 22.2875 -219.61 PRESSAVG: 565000 -16.8742 0.903753 -47.9795 0.903756 13.0968 -24.877 -47.9795 -24.877 50.569 GPRESSAVG: 565000 -16.4449 1.70917 -48.0677 -0.286618 12.4939 -24.6782 -46.888 -26.5232 49.9113 TIMING: 565000 CPU: 1785.94, 0.00314305/step Wall: 1785.94, 0.00314305/step, 3.87207 hours remaining, 232.832031 MB of memory in use. ENERGY: 565000 3965.3492 20485.1052 14536.2485 250.3191 -203404.9627 2705.9642 0.0000 0.0000 52048.5619 -109413.4145 299.1238 -161461.9764 -109036.6851 298.0893 -23.9795 2.9653 761403.5907 15.5972 15.3201 PRESSURE: 565200 -400.595 52.8357 -17.4364 52.8361 -135.93 -37.8736 -17.4362 -37.8737 -395.465 GPRESSURE: 565200 -308.436 100.916 105.329 7.75777 -101.548 -105.828 -163.224 145.568 -430.613 PRESSAVG: 565200 -18.4787 -41.1263 -5.13324 -41.1263 52.4739 -10.2727 -5.13329 -10.2726 -0.962708 GPRESSAVG: 565200 -18.0478 -42.8096 -4.89392 -38.6877 52.1607 -10.8525 -6.18995 -10.5838 -0.490207 TIMING: 565200 CPU: 1786.57, 0.00316083/step Wall: 1786.57, 0.00316083/step, 3.8938 hours remaining, 232.832031 MB of memory in use. ENERGY: 565200 4068.0920 20602.1162 14535.1714 244.0111 -203082.5762 2303.9745 0.0000 0.0000 51990.9966 -109338.2144 298.7930 -161329.2111 -108969.2576 298.7542 -310.6632 -280.1990 761082.1604 11.0108 11.2076 PRESSURE: 565400 -137.549 -127.429 210.107 -127.429 -335.725 15.6605 210.105 15.6608 -185.875 GPRESSURE: 565400 -119.805 -92.0137 239.304 -13.5885 -308.124 69.3485 225.711 -6.37761 -180.106 PRESSAVG: 565400 18.8887 -20.0009 -22.6124 -20.0009 -12.2019 -37.4188 -22.6123 -37.4187 3.89536 GPRESSAVG: 565400 17.2238 -17.9142 -22.8087 -20.5175 -11.7047 -37.1536 -22.3355 -35.3562 3.95574 TIMING: 565400 CPU: 1787.19, 0.00312959/step Wall: 1787.19, 0.00312959/step, 3.85513 hours remaining, 232.832031 MB of memory in use. ENERGY: 565400 4021.0714 20514.7981 14584.5918 230.9906 -203513.0959 2613.2125 0.0000 0.0000 52061.9053 -109486.5262 299.2005 -161548.4315 -109115.5837 299.3552 -219.7163 -202.6784 761493.2076 3.5274 3.1583 PRESSURE: 565600 -77.1897 73.6947 -30.8362 73.6956 -384.284 -210.848 -30.8357 -210.847 -283.251 GPRESSURE: 565600 -67.5344 68.4867 -16.5124 69.8171 -350.664 -103.3 -45.4568 -277.403 -247.482 PRESSAVG: 565600 49.3278 22.9915 20.4702 22.9916 -22.0515 -17.0687 20.4701 -17.0687 2.6242 GPRESSAVG: 565600 49.6666 20.1807 20.6692 23.912 -21.7368 -16.8235 22.1095 -17.0693 2.08695 TIMING: 565600 CPU: 1787.82, 0.00314053/step Wall: 1787.82, 0.00314053/step, 3.86844 hours remaining, 232.832031 MB of memory in use. ENERGY: 565600 4065.2521 20833.3497 14508.3359 247.6515 -202984.7141 2357.2249 0.0000 0.0000 51941.6324 -109031.2676 298.5093 -160972.9000 -108675.5151 299.0759 -248.2416 -221.8935 762638.2252 9.9668 10.0056 PRESSURE: 565800 -187.986 -86.4113 -72.5712 -86.4111 492.982 -83.4756 -72.5722 -83.4755 285.762 GPRESSURE: 565800 -174.973 -151.06 63.4115 -92.4044 515.612 -85.2188 -115.812 -135.083 353.453 PRESSAVG: 565800 31.6291 -13.2269 18.1564 -13.2269 -19.9996 -40.4025 18.1564 -40.4025 -10.8927 GPRESSAVG: 565800 30.7945 -10.7307 19.8108 -14.1916 -19.8847 -40.6787 14.049 -40.225 -9.76417 TIMING: 565800 CPU: 1788.45, 0.00315475/step Wall: 1788.45, 0.00315475/step, 3.88578 hours remaining, 232.832031 MB of memory in use. ENERGY: 565800 3915.2721 20551.9652 14570.4007 244.3102 -203259.8949 2732.0652 0.0000 0.0000 52181.6598 -109064.2217 299.8887 -161245.8815 -108699.1716 299.7597 196.9195 231.3639 762873.9244 0.2456 0.3819 PRESSURE: 566000 141.033 -142.947 49.6888 -142.947 46.6993 118.026 49.6884 118.025 226.178 GPRESSURE: 566000 192.844 -186.402 19.5027 -122.093 82.7015 58.8399 13.6651 -52.3507 238.46 PRESSAVG: 566000 -36.6351 13.6844 12.1548 13.6844 60.0814 8.65395 12.1548 8.65398 -4.23236 GPRESSAVG: 566000 -35.3794 11.4429 9.54293 13.4452 59.7828 7.4413 15.8382 5.89884 -5.02488 TIMING: 566000 CPU: 1789.08, 0.00315155/step Wall: 1789.08, 0.00315156/step, 3.88167 hours remaining, 232.832031 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: 566000 3964.3081 20553.9204 14566.6266 227.9476 -203193.2964 2852.3122 0.0000 0.0000 52015.1437 -109013.0379 298.9317 -161028.1816 -108639.0268 299.3926 137.9702 171.3351 764262.4140 6.4046 6.4595 PRESSURE: 566200 437.674 45.5507 -9.11699 45.5512 127.077 -185.944 -9.11699 -185.942 79.4093 GPRESSURE: 566200 483.378 15.8484 -85.5875 -20.8824 122.132 -236.548 25.5746 -45.8766 102.651 PRESSAVG: 566200 40.0144 -15.4176 -20.674 -15.4176 -14.483 -37.4956 -20.674 -37.4956 33.1945 GPRESSAVG: 566200 38.9104 -13.8226 -20.9771 -16.046 -14.1543 -38.5432 -21.9473 -32.7442 33.7462 TIMING: 566200 CPU: 1789.71, 0.00315433/step Wall: 1789.71, 0.00315433/step, 3.88491 hours remaining, 232.832031 MB of memory in use. ENERGY: 566200 3945.7308 20570.7771 14532.4057 261.8086 -203454.7016 2805.5348 0.0000 0.0000 52206.6612 -109131.7834 300.0324 -161338.4446 -108778.6819 299.2396 214.7202 236.0538 761625.7445 19.5753 19.5008 PRESSURE: 566400 185.891 -154.402 -19.5052 -154.403 -349.675 272.237 -19.5055 272.236 -248.916 GPRESSURE: 566400 205.224 -33.9078 -32.8437 -262.38 -289.147 316.452 -170.748 211.785 -270.619 PRESSAVG: 566400 18.0342 31.358 -43.4827 31.358 10.8244 -19.0081 -43.4826 -19.0081 -7.8785 GPRESSAVG: 566400 18.5694 31.9855 -42.803 31.0365 9.36132 -18.1319 -44.9109 -21.8987 -7.2041 TIMING: 566400 CPU: 1790.35, 0.00316256/step Wall: 1790.35, 0.00316256/step, 3.89487 hours remaining, 232.832031 MB of memory in use. ENERGY: 566400 4000.8294 20441.1096 14539.3852 254.9362 -202700.5766 2397.5463 0.0000 0.0000 52120.6560 -108946.1139 299.5381 -161066.7699 -108575.3300 299.3566 -137.5665 -118.1807 762178.4184 6.9934 6.9089 PRESSURE: 566600 -300.379 115.914 -15.2355 115.914 -126.628 -11.0046 -15.2356 -11.005 -214.851 GPRESSURE: 566600 -162.869 -11.0507 -45.5419 170.904 -112.075 0.69549 68.2255 7.47801 -280.133 PRESSAVG: 566600 23.3278 -39.8117 -16.2243 -39.8116 -36.2438 -12.0974 -16.2243 -12.0974 -12.4301 GPRESSAVG: 566600 23.9627 -42.0646 -15.839 -39.3311 -35.1563 -9.9184 -14.3324 -13.5679 -13.7074 TIMING: 566600 CPU: 1790.98, 0.00315663/step Wall: 1790.98, 0.00315663/step, 3.88739 hours remaining, 232.832031 MB of memory in use. ENERGY: 566600 4052.1148 20590.2532 14582.4689 248.0268 -202712.4139 2387.7423 0.0000 0.0000 51896.8926 -108954.9154 298.2522 -160851.8080 -108590.3462 299.7468 -213.9526 -185.0255 763183.2122 -8.4487 -8.3003 PRESSURE: 566800 266.96 -71.4591 25.5114 -71.459 91.2959 110.066 25.5126 110.066 100.286 GPRESSURE: 566800 230.068 -54.3601 99.1694 -144.751 195.184 120.853 47.4183 -8.09253 116.661 PRESSAVG: 566800 9.9655 -12.1802 -49.8977 -12.1802 -24.7764 -29.3521 -49.8977 -29.3522 -22.7391 GPRESSAVG: 566800 9.46295 -11.9469 -48.4694 -11.5213 -25.528 -29.7312 -50.9365 -30.3316 -22.182 TIMING: 566800 CPU: 1791.61, 0.00314798/step Wall: 1791.61, 0.00314798/step, 3.87656 hours remaining, 232.832031 MB of memory in use. ENERGY: 566800 4065.7597 20544.5961 14536.3299 256.9238 -203361.2208 2883.6987 0.0000 0.0000 52068.1320 -109005.7805 299.2363 -161073.9126 -108654.9163 299.0787 152.8474 180.6375 763536.9947 -12.5167 -12.7490 PRESSURE: 567000 -43.9759 -58.5281 -36.7461 -58.5282 -116.172 -152.144 -36.7466 -152.143 -102.128 GPRESSURE: 567000 -17.8837 -213.973 -55.9305 13.8009 -102.87 -202.075 78.6779 4.22469 -61.2493 PRESSAVG: 567000 -36.0484 -11.9611 -46.1174 -11.9611 39.6046 -42.7968 -46.1174 -42.7968 3.25619 GPRESSAVG: 567000 -37.1517 -11.9196 -47.1404 -13.2234 39.2258 -43.4507 -45.9537 -42.2258 4.41475 TIMING: 567000 CPU: 1792.24, 0.00314559/step Wall: 1792.24, 0.00314559/step, 3.87344 hours remaining, 232.832031 MB of memory in use. ENERGY: 567000 4048.7800 20594.7458 14601.4335 242.7328 -203357.8983 2596.1224 0.0000 0.0000 52264.8263 -109009.2576 300.3667 -161274.0839 -108654.8240 299.5538 -87.4254 -60.6677 762146.2019 2.2708 2.1629 PRESSURE: 567200 143.237 31.1625 -136.968 31.1627 46.2098 -20.2293 -136.967 -20.2279 -21.9244 GPRESSURE: 567200 226.794 37.1516 -132.099 86.933 42.6301 -35.5814 -201.736 -15.3121 -21.2501 PRESSAVG: 567200 19.775 -32.9161 -15.8265 -32.9161 -39.8707 -50.0375 -15.8265 -50.0375 -12.1657 GPRESSAVG: 567200 21.8452 -33.3435 -14.7161 -32.6802 -40.5376 -51.1113 -16.3988 -49.2852 -13.0768 TIMING: 567200 CPU: 1792.86, 0.00313475/step Wall: 1792.86, 0.00313475/step, 3.85993 hours remaining, 232.832031 MB of memory in use. ENERGY: 567200 4025.2062 20589.4192 14565.7336 237.6104 -203239.2462 2734.1493 0.0000 0.0000 52096.2378 -108990.8897 299.3978 -161087.1275 -108622.1578 299.3382 55.8407 82.7247 764088.9272 -10.7538 -10.5897 PRESSURE: 567400 -144.625 224.08 10.6531 224.079 -365.628 103.113 10.6526 103.112 -30.3873 GPRESSURE: 567400 -94.064 156.586 15.8032 201.131 -287.007 178.104 -20.5407 -37.8451 -69.3374 PRESSAVG: 567400 1.48923 -0.997324 -1.44664 -0.997293 -31.916 3.25991 -1.44665 3.25988 -4.75385 GPRESSAVG: 567400 0.731294 -0.831535 -1.93241 -0.531427 -31.231 2.82399 -1.51028 2.94682 -4.1997 TIMING: 567400 CPU: 1793.49, 0.0031362/step Wall: 1793.49, 0.0031362/step, 3.86153 hours remaining, 232.832031 MB of memory in use. ENERGY: 567400 3986.0603 20449.7689 14565.0843 258.7327 -203031.7135 2645.6797 0.0000 0.0000 51971.3920 -109154.9956 298.6803 -161126.3876 -108790.0196 299.9157 -180.2134 -150.1360 766073.9988 -11.7269 -11.5665 PRESSURE: 567600 -179.181 -16.0688 -153.734 -16.0686 45.4774 -18.1948 -153.735 -18.1944 -18.2079 GPRESSURE: 567600 -152.505 66.4109 -162.566 -83.4273 42.08 -76.4165 -18.8989 17.2971 38.7334 PRESSAVG: 567600 3.97842 7.95599 -28.7717 7.95599 13.8537 -68.6354 -28.7717 -68.6354 31.4128 GPRESSAVG: 567600 3.1114 8.88363 -26.424 8.51214 14.8795 -68.9211 -30.0491 -68.316 31.2454 TIMING: 567600 CPU: 1794.12, 0.00315368/step Wall: 1794.12, 0.00315368/step, 3.88288 hours remaining, 232.832031 MB of memory in use. ENERGY: 567600 3964.3402 20421.5399 14557.8480 275.2883 -203193.9195 2656.5280 0.0000 0.0000 52147.7588 -109170.6164 299.6939 -161318.3752 -108800.3241 299.2113 -50.6372 -23.8971 765155.9529 16.4150 16.4121 PRESSURE: 567800 -61.8604 16.0875 23.7191 16.0881 -109.16 -361.678 23.719 -361.678 -99.9387 GPRESSURE: 567800 -27.8829 5.7661 19.6797 -17.5672 -98.6464 -226.53 145.45 -324.5 -57.8925 PRESSAVG: 567800 -49.8543 23.6516 15.225 23.6517 51.6342 37.3331 15.225 37.3331 -7.2087 GPRESSAVG: 567800 -48.7917 24.0047 13.215 21.6486 49.6866 38.6881 18.1432 39.0341 -6.30588 TIMING: 567800 CPU: 1794.75, 0.00314395/step Wall: 1794.75, 0.00314395/step, 3.87073 hours remaining, 232.832031 MB of memory in use. ENERGY: 567800 4035.1690 20637.8052 14541.2752 234.4589 -203615.1762 2859.0025 0.0000 0.0000 52109.2206 -109198.2448 299.4724 -161307.4654 -108831.9207 299.4228 -90.3198 -61.4739 762297.9231 -1.8096 -1.8037 PRESSURE: 568000 -17.1327 -63.4501 -166.995 -63.4502 -403.741 -108.141 -166.994 -108.142 284.953 GPRESSURE: 568000 -20.78 -97.6333 -148.741 -108.341 -316.312 -160.365 -153.52 -26.1646 277.62 PRESSAVG: 568000 -7.93805 4.63614 1.65253 4.63616 2.03425 23.9715 1.65246 23.9715 6.09473 GPRESSAVG: 568000 -8.87127 4.29164 -0.0330896 6.35265 3.58818 23.9407 0.19594 21.2784 5.53902 TIMING: 568000 CPU: 1795.39, 0.00318057/step Wall: 1795.39, 0.00318057/step, 3.91564 hours remaining, 232.832031 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: 568000 3993.8823 20549.0299 14583.4169 244.1716 -203504.3218 2783.2083 0.0000 0.0000 52025.9359 -109324.6770 298.9938 -161350.6129 -108956.0828 298.6812 -45.3067 -19.8240 763789.8190 0.0636 0.0853 PRESSURE: 568200 34.4921 -46.586 -157.191 -46.5861 77.083 63.7701 -157.191 63.77 -87.3989 GPRESSURE: 568200 98.4615 23.0009 -104.368 -1.52046 114.395 36.9594 -153.76 145.293 -91.1628 PRESSAVG: 568200 27.4037 64.5548 -19.915 64.5547 -28.8396 -0.902506 -19.9149 -0.902419 12.0849 GPRESSAVG: 568200 27.102 65.1139 -19.0621 62.3636 -29.8547 -2.16184 -20.1338 -0.138661 13.8436 TIMING: 568200 CPU: 1796.02, 0.00316868/step Wall: 1796.02, 0.00316868/step, 3.90083 hours remaining, 232.832031 MB of memory in use. ENERGY: 568200 3950.3672 20661.8548 14532.4575 252.5485 -203553.6967 2833.2855 0.0000 0.0000 52142.9254 -109180.2578 299.6661 -161323.1832 -108819.5876 299.0742 8.0587 40.5646 764411.2082 3.5497 3.6969 LDB: ============= START OF LOAD BALANCING ============== 1808.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1808.55 LDB: =============== DONE WITH MIGRATION ================ 1808.56 LDB: ============= START OF LOAD BALANCING ============== 1808.87 LDB: Largest compute 7059 load 0.032332 is 16.6% of average load 0.195158 LDB: Average compute 0.004387 is 2.2% of average load 0.195158 LDB: TIME 1808.88 LOAD: AVG 0.195158 MAX 0.21314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 1808.88 LOAD: AVG 0.195158 MAX 0.21314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: TIME 1808.88 LOAD: AVG 0.195158 MAX 0.21314 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: ============== END OF LOAD BALANCING =============== 1808.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1808.88 PRESSURE: 568400 -111.937 29.2115 -68.6908 29.2107 -353.955 77.2944 -68.6906 77.2952 -81.0251 GPRESSURE: 568400 -3.52244 32.1364 -89.9551 28.8285 -288.122 84.426 -69.0745 76.4964 -170.324 PRESSAVG: 568400 40.3613 0.879225 -1.15654 0.879199 32.6709 1.11233 -1.15651 1.11239 8.54046 GPRESSAVG: 568400 41.7234 1.77002 0.739644 2.74146 32.9953 1.36173 -2.66928 0.748196 7.14571 TIMING: 568400 CPU: 1796.67, 0.00322337/step Wall: 1796.67, 0.00322337/step, 3.96796 hours remaining, 234.203125 MB of memory in use. ENERGY: 568400 4080.0708 20498.4405 14584.1532 251.4762 -203185.8161 2523.6456 0.0000 0.0000 51885.2083 -109362.8214 298.1850 -161248.0297 -108998.6469 299.0259 -182.3057 -153.9894 762008.0273 27.1909 27.2881 PRESSURE: 568600 -797.423 119.066 -14.0955 119.066 177.214 -276.494 -14.0957 -276.494 110.719 GPRESSURE: 568600 -693.244 228.786 7.11633 78.2882 153.04 -259.261 19.9536 -173.16 135.904 PRESSAVG: 568600 -5.64279 -0.934099 19.6214 -0.934083 47.013 -48.8756 19.6214 -48.8757 0.397965 GPRESSAVG: 568600 -4.98214 -1.57382 18.9504 -1.41425 48.2496 -49.2646 22.9469 -48.3022 -0.998239 TIMING: 568600 CPU: 1797.3, 0.00315218/step Wall: 1797.3, 0.00315218/step, 3.88016 hours remaining, 234.406250 MB of memory in use. ENERGY: 568600 4049.0317 20549.9065 14510.0893 258.6646 -203547.0597 2967.4200 0.0000 0.0000 52006.2956 -109205.6520 298.8809 -161211.9477 -108853.5709 299.2905 -169.8299 -134.7666 764107.4793 13.9227 14.0897 PRESSURE: 568800 45.1949 20.3418 45.5383 20.3413 -249.322 -28.4378 45.5379 -28.4381 -780.277 GPRESSURE: 568800 20.744 76.8619 -8.93216 26.4139 -203.712 -71.5633 9.06248 -108.718 -716.654 PRESSAVG: 568800 -43.4738 2.76772 -11.5376 2.76771 73.3982 -32.1395 -11.5376 -32.1395 2.02195 GPRESSAVG: 568800 -44.5303 3.02753 -11.2784 1.01008 72.2957 -31.7543 -14.7444 -32.8912 3.75623 TIMING: 568800 CPU: 1797.92, 0.00313687/step Wall: 1797.92, 0.00313687/step, 3.86113 hours remaining, 234.406250 MB of memory in use. ENERGY: 568800 3965.0814 20604.3649 14525.5458 235.2951 -203070.0284 2623.4256 0.0000 0.0000 51878.8279 -109237.4878 298.1483 -161116.3156 -108880.0547 298.7785 -328.1349 -299.8742 764964.0925 10.6488 10.5072 PRESSURE: 569000 47.769 -163.767 97.0476 -163.767 -32.2478 226.165 97.0477 226.164 -68.9493 GPRESSURE: 569000 48.3959 -106.45 45.5163 -56.9065 39.8278 222.587 152.71 220.517 -61.1022 PRESSAVG: 569000 -26.3601 8.90248 5.01702 8.90249 -2.42606 -18.1021 5.01707 -18.1021 -23.0315 GPRESSAVG: 569000 -25.8196 8.54769 2.8646 10.1164 -2.57442 -19.2119 6.47902 -18.3581 -23.2864 TIMING: 569000 CPU: 1798.55, 0.00315409/step Wall: 1798.55, 0.00315409/step, 3.88216 hours remaining, 234.406250 MB of memory in use. ENERGY: 569000 3915.9957 20572.2684 14599.2779 237.3620 -203265.3093 2621.6162 0.0000 0.0000 52138.6670 -109180.1220 299.6416 -161318.7891 -108814.7752 298.6345 -17.8094 9.0405 764520.9497 -17.2726 -17.2268 PRESSURE: 569200 -313.087 -70.4773 155.573 -70.4784 -108.007 -188.043 155.572 -188.044 157.717 GPRESSURE: 569200 -284.582 -30.7 128.944 -80.6039 -11.838 -115.252 284.44 -203.368 109.97 PRESSAVG: 569200 10.9555 -2.99608 13.9024 -2.99607 24.6974 16.1116 13.9025 16.1115 7.21868 GPRESSAVG: 569200 11.3152 -2.3676 14.6031 -3.3569 24.6566 16.0613 13.9023 19.2426 7.18233 TIMING: 569200 CPU: 1799.19, 0.00318537/step Wall: 1799.19, 0.00318537/step, 3.92048 hours remaining, 234.406250 MB of memory in use. ENERGY: 569200 4005.1983 20601.2783 14536.8984 267.3303 -203191.8157 2770.2210 0.0000 0.0000 52036.3993 -108974.4900 299.0539 -161010.8893 -108611.6135 299.2944 -87.7922 -62.1502 765559.9240 14.2905 14.3847 PRESSURE: 569400 -60.3755 -84.8758 -5.91478 -84.8752 -27.9732 133.023 -5.91431 133.022 -80.4053 GPRESSURE: 569400 12.9933 -209.677 59.5142 -68.0863 -43.523 126.096 -21.6208 65.7611 -47.2173 PRESSAVG: 569400 -41.708 -35.7859 19.8585 -35.7858 74.9212 -15.3819 19.8585 -15.3818 14.8312 GPRESSAVG: 569400 -42.0478 -36.1274 19.6077 -34.7325 75.6445 -14.6455 18.3723 -16.7995 14.3857 TIMING: 569400 CPU: 1799.82, 0.00314429/step Wall: 1799.82, 0.00314429/step, 3.86974 hours remaining, 234.406250 MB of memory in use. ENERGY: 569400 3961.8374 20475.0610 14468.9030 252.7377 -202763.5952 2515.5797 0.0000 0.0000 52001.6955 -109087.7808 298.8545 -161089.4763 -108720.8124 299.6474 -56.2513 -25.9157 765521.5729 16.0148 15.9941 PRESSURE: 569600 -158.309 107.939 74.2706 107.94 -324.618 -73.1085 74.2708 -73.1089 27.8966 GPRESSURE: 569600 -144.384 180.699 44.775 83.4708 -255.135 -136.349 -45.5128 62.7527 35.1317 PRESSAVG: 569600 -19.4327 -26.3237 -9.36425 -26.3237 20.7755 48.3489 -9.36426 48.3489 -10.031 GPRESSAVG: 569600 -19.3817 -26.0121 -9.48634 -26.5789 19.6234 48.7744 -7.61372 50.1162 -9.11291 TIMING: 569600 CPU: 1800.45, 0.00314694/step Wall: 1800.45, 0.00314694/step, 3.87283 hours remaining, 234.406250 MB of memory in use. ENERGY: 569600 3963.6416 20599.6442 14530.1051 259.3373 -202926.0429 2524.0921 0.0000 0.0000 52065.7004 -108983.5222 299.2223 -161049.2227 -108620.2080 299.3552 -151.6770 -121.4624 763071.9972 -2.8960 -2.9571 PRESSURE: 569800 230.305 212.511 6.56863 212.512 296.84 68.2253 6.56888 68.2258 -50.3087 GPRESSURE: 569800 207.651 211.521 -85.9648 195.793 401.679 32.1808 78.7257 55.64 -30.8306 PRESSAVG: 569800 -19.8236 -7.10528 24.6031 -7.10528 12.2919 -39.6421 24.6031 -39.642 -5.70094 GPRESSAVG: 569800 -19.4642 -7.61358 24.8171 -9.00575 12.7728 -40.1097 23.7331 -40.6462 -6.43478 TIMING: 569800 CPU: 1801.08, 0.00317496/step Wall: 1801.08, 0.00317496/step, 3.90714 hours remaining, 234.406250 MB of memory in use. ENERGY: 569800 4023.9450 20495.9278 14618.4013 250.6315 -203213.9142 2813.6421 0.0000 0.0000 52293.9652 -108717.4013 300.5341 -161011.3665 -108360.6527 300.0351 158.9457 192.8330 760891.5594 -4.4109 -4.3754 PRESSURE: 570000 -108.725 -22.0236 45.5613 -22.0239 -207.208 -49.5124 45.5622 -49.5121 -63.5203 GPRESSURE: 570000 -194.759 -59.8484 -26.7285 -67.1453 -70.337 -52.2844 47.8834 -79.4835 -21.2353 PRESSAVG: 570000 -41.2155 -4.73039 1.26542 -4.73036 57.459 12.8327 1.26545 12.8327 10.6318 GPRESSAVG: 570000 -42.3345 -2.80108 1.7394 -4.32743 57.2988 12.2225 2.12293 12.7748 12.1274 TIMING: 570000 CPU: 1801.71, 0.00314195/step Wall: 1801.71, 0.00314195/step, 3.86635 hours remaining, 234.406250 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: 570000 3988.3275 20486.2783 14606.3382 253.1925 -203086.8802 2850.6976 0.0000 0.0000 52198.3192 -108703.7269 299.9845 -160902.0461 -108337.5508 300.6362 -126.4845 -95.4437 762254.0352 8.9584 9.0306 PRESSURE: 570200 -18.4894 -132.086 -28.1263 -132.086 84.1089 -70.0648 -28.1254 -70.0655 46.351 GPRESSURE: 570200 104.792 -175.883 -81.748 -91.0926 31.6097 -51.7712 -68.394 -111.697 52.1628 PRESSAVG: 570200 -10.7427 -8.04079 5.49469 -8.04075 -13.5586 28.8525 5.49471 28.8525 -41.9094 GPRESSAVG: 570200 -10.8737 -12.6797 5.62682 -5.23857 -13.5764 29.4918 5.14229 28.0669 -42.2729 TIMING: 570200 CPU: 1802.34, 0.0031544/step Wall: 1802.34, 0.0031544/step, 3.88149 hours remaining, 234.406250 MB of memory in use. ENERGY: 570200 3972.8034 20587.4927 14521.0866 252.0501 -202745.7958 2556.1317 0.0000 0.0000 52128.6602 -108727.5710 299.5841 -160856.2313 -108363.8334 300.1554 37.3235 62.8547 764238.2761 -22.0702 -22.2410 PRESSURE: 570400 141.034 156.251 25.1633 156.251 236.699 -203.633 25.1631 -203.632 -73.878 GPRESSURE: 570400 277.993 142.383 83.4925 139.283 242.126 -213.782 30.2217 -141.615 -105.874 PRESSAVG: 570400 25.085 1.74058 46.7363 1.74058 -53.3055 -16.9132 46.7363 -16.9133 19.076 GPRESSAVG: 570400 24.2234 4.81462 47.226 0.0352752 -52.6776 -16.8893 47.2641 -15.9902 19.5395 TIMING: 570400 CPU: 1802.97, 0.00314983/step Wall: 1802.97, 0.00314983/step, 3.87569 hours remaining, 234.406250 MB of memory in use. ENERGY: 570400 3896.8970 20553.2027 14527.3432 245.4063 -203051.9450 2612.3450 0.0000 0.0000 52319.9161 -108896.8349 300.6833 -161216.7509 -108533.3142 299.8990 101.2849 138.0818 763547.2586 -3.0482 -2.9716 PRESSURE: 570600 -105.657 18.7194 -53.5058 18.7194 -32.9197 252.302 -53.505 252.301 205.699 GPRESSURE: 570600 -133.931 5.81154 23.717 118.416 22.4401 207.394 12.294 109.83 243.244 PRESSAVG: 570600 1.74696 23.4214 19.7437 23.4215 13.2417 -24.3158 19.7437 -24.3157 27.2735 GPRESSAVG: 570600 2.07774 21.7417 18.7121 25.6777 13.6547 -24.3186 19.7114 -25.8467 26.1652 TIMING: 570600 CPU: 1803.6, 0.00315141/step Wall: 1803.6, 0.00315141/step, 3.87746 hours remaining, 234.406250 MB of memory in use. ENERGY: 570600 3968.4652 20646.8000 14527.6177 252.6347 -203536.6539 2875.4593 0.0000 0.0000 52282.2222 -108983.4547 300.4666 -161265.6770 -108618.6217 299.4146 22.3741 43.9177 764074.6309 14.0874 13.9659 PRESSURE: 570800 -174.912 8.60037 -13.5407 8.6009 134.174 9.97409 -13.5421 9.97313 -39.2944 GPRESSURE: 570800 -154.273 -27.245 -33.5529 14.7295 125.248 -63.6389 -48.2403 54.5034 20.924 PRESSAVG: 570800 -8.59747 29.4959 -46.1028 29.4959 -26.9559 0.222038 -46.1027 0.222049 10.0962 GPRESSAVG: 570800 -8.78314 32.5493 -47.0558 27.0601 -26.8955 0.355342 -46.4501 1.30143 10.4326 TIMING: 570800 CPU: 1804.24, 0.00316254/step Wall: 1804.24, 0.00316254/step, 3.89098 hours remaining, 234.406250 MB of memory in use. ENERGY: 570800 4016.0434 20654.4477 14494.6895 255.1487 -203329.6789 2902.8379 0.0000 0.0000 52135.2414 -108871.2701 299.6219 -161006.5115 -108522.4961 300.1482 -26.6777 -2.7002 763055.5545 -8.4857 -8.4153 PRESSURE: 571000 14.829 68.5073 -44.3422 68.5075 -109.566 126.673 -44.342 126.673 71.431 GPRESSURE: 571000 35.5741 62.906 -159.402 -1.39544 -46.5088 221.919 0.181291 -25.5762 62.9778 PRESSAVG: 571000 -5.70753 40.2786 7.52311 40.2787 -1.62743 17.1901 7.52312 17.1902 -11.7189 GPRESSAVG: 571000 -4.38363 39.142 9.38807 39.6264 -1.90912 16.4615 5.53326 17.5729 -12.2579 TIMING: 571000 CPU: 1804.87, 0.00316874/step Wall: 1804.87, 0.00316874/step, 3.89844 hours remaining, 234.406250 MB of memory in use. ENERGY: 571000 4010.1343 20495.9491 14587.6836 251.1756 -203113.5800 2743.3335 0.0000 0.0000 52197.5472 -108827.7567 299.9800 -161025.3039 -108469.2195 300.0456 -7.7688 17.3477 763452.0681 -6.3513 -6.1835 PRESSURE: 571200 229.985 -11.5923 143.76 -11.5935 -77.9414 -127.849 143.762 -127.85 -1.49764 GPRESSURE: 571200 228.858 -17.4084 36.4559 -53.7632 78.6153 -77.0648 225.348 20.7687 -72.6056 PRESSAVG: 571200 -33.7324 10.6985 -49.2786 10.6985 28.9204 8.12797 -49.2786 8.12793 -9.42448 GPRESSAVG: 571200 -33.4053 8.55184 -49.7109 12.0321 28.0828 8.41423 -48.9535 8.60636 -8.60779 TIMING: 571200 CPU: 1805.51, 0.00318182/step Wall: 1805.51, 0.00318182/step, 3.91434 hours remaining, 234.406250 MB of memory in use. ENERGY: 571200 3983.1178 20545.9427 14487.9968 263.3119 -203341.0898 3056.8096 0.0000 0.0000 52164.0058 -108839.9052 299.7873 -161003.9111 -108480.0002 300.1377 50.1820 78.2893 763610.9017 -4.7455 -4.6434 PRESSURE: 571400 -223.692 -280.053 -16.3445 -280.054 -396.025 99.4254 -16.344 99.4251 -83.9606 GPRESSURE: 571400 -178.943 -329.405 -31.3276 -306.038 -360.087 78.9183 6.37551 151.875 -68.3866 PRESSAVG: 571400 66.4735 -15.5006 17.3527 -15.5006 -8.15604 11.2291 17.3526 11.229 -9.45996 GPRESSAVG: 571400 65.7163 -15.6631 16.9438 -13.3538 -5.90338 11.8418 19.6848 11.3631 -10.2147 TIMING: 571400 CPU: 1806.14, 0.0031551/step Wall: 1806.14, 0.0031551/step, 3.88129 hours remaining, 234.406250 MB of memory in use. ENERGY: 571400 4011.1052 20521.4814 14566.8416 238.3217 -203333.1796 2578.6106 0.0000 0.0000 52361.2272 -109055.5920 300.9207 -161416.8192 -108687.8241 300.3158 -234.5593 -202.4724 762415.7139 16.2858 16.5327 PRESSURE: 571600 443.764 -34.8423 6.30022 -34.8431 345.574 -283.177 6.30122 -283.176 495.784 GPRESSURE: 571600 548.242 -25.3794 -25.8231 -27.6684 379.044 -241.087 -142.514 -233.357 432.721 PRESSAVG: 571600 -29.8026 -7.3293 -44.5514 -7.32939 16.1081 -10.4148 -44.5515 -10.4147 -1.12428 GPRESSAVG: 571600 -28.3129 -6.35536 -43.7905 -7.99283 14.8676 -9.89213 -44.9775 -11.6368 -1.38807 TIMING: 571600 CPU: 1806.77, 0.00317373/step Wall: 1806.77, 0.00317373/step, 3.90405 hours remaining, 234.406250 MB of memory in use. ENERGY: 571600 3965.2473 20516.6383 14505.4538 280.0826 -203741.7153 3166.0880 0.0000 0.0000 52147.1050 -109161.1002 299.6901 -161308.2053 -108786.2777 299.6498 428.3739 453.3354 761374.3035 -4.9396 -4.9444 PRESSURE: 571800 458.103 -333.472 136.181 -333.473 143.518 -107.095 136.181 -107.094 -7.81834 GPRESSURE: 571800 356.258 -266.75 158.656 -221.436 227.558 -57.2477 167.985 -96.4608 82.8283 PRESSAVG: 571800 -4.18322 -31.0391 -28.8699 -31.0391 -3.35406 3.10398 -28.87 3.10406 21.8782 GPRESSAVG: 571800 -4.54379 -31.9742 -29.6664 -31.7369 -4.21639 2.51157 -29.3577 2.97304 23.5226 TIMING: 571800 CPU: 1807.41, 0.00316472/step Wall: 1807.41, 0.00316472/step, 3.89278 hours remaining, 234.406250 MB of memory in use. ENERGY: 571800 3938.6338 20606.5626 14600.5233 238.0534 -203455.2995 2843.9095 0.0000 0.0000 52156.1525 -109071.4643 299.7421 -161227.6168 -108706.8310 299.4041 197.9341 222.2147 759914.9409 4.7803 4.9208 PRESSURE: 572000 -1.38391 -245.005 -21.8835 -245.006 119.541 -5.74036 -21.8831 -5.74144 -490.424 GPRESSURE: 572000 51.0715 -140.132 13.1337 -186.102 76.548 19.0036 -37.0018 -84.6397 -437.574 PRESSAVG: 572000 74.3225 1.4342 -23.6178 1.43417 -59.6552 -40.5728 -23.6178 -40.5728 -17.2252 GPRESSAVG: 572000 74.2929 3.92676 -22.3298 1.18584 -58.0818 -40.1476 -24.6149 -40.5902 -18.7044 TIMING: 572000 CPU: 1808.04, 0.00316529/step Wall: 1808.04, 0.00316529/step, 3.8933 hours remaining, 234.406250 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: 572000 4025.8945 20562.9040 14550.4305 230.1446 -203401.7276 2672.3811 0.0000 0.0000 52267.8526 -109092.1203 300.3841 -161359.9729 -108730.2550 299.7732 -124.0888 -103.3182 761375.5731 -0.8527 -0.8311 PRESSURE: 572200 154.821 -19.8742 -199.618 -19.8737 164.134 151.594 -199.619 151.594 119.653 GPRESSURE: 572200 167.672 45.6248 -143.262 22.3953 210.374 129.896 -57.8902 51.2758 130.494 PRESSAVG: 572200 -25.3022 -30.9279 22.7882 -30.9279 -6.57351 5.05502 22.7881 5.05492 -8.65025 GPRESSAVG: 572200 -25.2197 -33.911 22.4185 -31.9483 -8.37159 5.76504 25.3722 3.40193 -7.20583 TIMING: 572200 CPU: 1808.67, 0.00315291/step Wall: 1808.67, 0.00315291/step, 3.87791 hours remaining, 234.406250 MB of memory in use. ENERGY: 572200 3975.9403 20490.3571 14523.7626 253.2160 -204140.3467 3251.8415 0.0000 0.0000 52327.4947 -109317.7346 300.7268 -161645.2293 -108949.1507 299.3944 146.2026 169.5133 759932.1110 -13.5087 -13.5990 LDB: ============= START OF LOAD BALANCING ============== 1821.2 LDB: ============== END OF LOAD BALANCING =============== 1821.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1821.2 LDB: ============= START OF LOAD BALANCING ============== 1821.52 LDB: Largest compute 7059 load 0.031579 is 16.2% of average load 0.195266 LDB: Average compute 0.004364 is 2.2% of average load 0.195266 LDB: TIME 1821.52 LOAD: AVG 0.195266 MAX 0.210165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.152 MB LDB: TIME 1821.52 LOAD: AVG 0.195266 MAX 0.210165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.152 MB LDB: TIME 1821.52 LOAD: AVG 0.195266 MAX 0.210165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.152 MB LDB: ============== END OF LOAD BALANCING =============== 1821.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1821.53 PRESSURE: 572400 139.666 23.3797 7.43014 23.3796 34.631 -77.6652 7.43029 -77.6663 357.362 GPRESSURE: 572400 266.588 -30.4056 15.3575 30.3592 45.5591 -21.6433 -46.1209 -6.65733 300.596 PRESSAVG: 572400 39.8652 22.4732 -26.1321 22.4732 -30.5288 4.09568 -26.1321 4.0956 23.7855 GPRESSAVG: 572400 40.6401 21.4327 -25.871 25.384 -30.0018 2.68395 -28.4659 6.30718 22.2581 TIMING: 572400 CPU: 1809.31, 0.00321489/step Wall: 1809.31, 0.00321489/step, 3.95395 hours remaining, 233.636719 MB of memory in use. ENERGY: 572400 4003.4366 20410.6787 14544.3204 224.6755 -203287.6003 2551.8971 0.0000 0.0000 52225.7332 -109326.8587 300.1420 -161552.5919 -108964.5310 299.1777 177.2197 204.2476 761167.9447 11.0406 10.9655 PRESSURE: 572600 -241.186 -206.909 -63.7944 -206.909 6.17977 141.267 -63.7934 141.269 -203.087 GPRESSURE: 572600 -154.008 -217.369 -39.3392 -249.269 -22.3104 236.689 -113.1 50.8729 -156.675 PRESSAVG: 572600 -0.556373 -18.1226 16.6418 -18.1225 -12.2237 63.6616 16.6418 63.6616 12.4581 GPRESSAVG: 572600 -1.09422 -17.9214 17.2025 -20.2111 -11.3067 62.6207 17.6478 65.1707 12.1991 TIMING: 572600 CPU: 1809.94, 0.0031566/step Wall: 1809.94, 0.0031566/step, 3.8821 hours remaining, 233.636719 MB of memory in use. ENERGY: 572600 4000.8932 20482.0204 14548.7986 259.0335 -203302.9244 2503.6739 0.0000 0.0000 52120.8032 -109387.7017 299.5390 -161508.5049 -109033.6130 299.1351 -146.0312 -110.9978 761522.6989 -0.1073 -0.0673 PRESSURE: 572800 205.325 113.935 -187.681 113.935 -341.762 -148.72 -187.681 -148.72 80.8334 GPRESSURE: 572800 279.956 155.926 -185.476 54.1974 -234.919 -171.524 -156.993 -184.882 -2.50561 PRESSAVG: 572800 2.24687 -37.1359 -73.8685 -37.1358 24.6925 29.7654 -73.8686 29.7654 4.22613 GPRESSAVG: 572800 2.11438 -36.3878 -74.7532 -37.9438 23.6139 28.8003 -73.4067 27.2366 5.2893 TIMING: 572800 CPU: 1810.58, 0.00318113/step Wall: 1810.58, 0.00318113/step, 3.91209 hours remaining, 233.636719 MB of memory in use. ENERGY: 572800 3950.7992 20575.7433 14552.6054 245.3116 -203062.2111 2523.6263 0.0000 0.0000 51940.1444 -109273.9809 298.5007 -161214.1253 -108904.7927 299.0364 -18.5346 14.1770 760952.2535 10.3885 10.3392 PRESSURE: 573000 -200.376 20.3039 -92.3044 20.3033 -227.818 82.4881 -92.3032 82.4881 -405.662 GPRESSURE: 573000 -126.674 65.7204 -43.029 37.9649 -251.513 114.84 -113.75 65.8173 -359.795 PRESSAVG: 573000 9.0379 -44.1303 6.29145 -44.1303 -4.38757 -19.0721 6.29142 -19.0721 -9.89944 GPRESSAVG: 573000 9.40132 -40.6133 4.67562 -45.0916 -4.83998 -16.8362 7.51513 -19.2077 -10.3198 TIMING: 573000 CPU: 1811.21, 0.00316989/step Wall: 1811.21, 0.00316989/step, 3.89809 hours remaining, 233.636719 MB of memory in use. ENERGY: 573000 4113.6986 20705.6251 14554.4374 249.7361 -202850.8260 2205.6491 0.0000 0.0000 51677.1515 -109344.5283 296.9893 -161021.6798 -108991.5289 299.0272 -277.9520 -245.9938 761864.5911 -1.7497 -1.9195 PRESSURE: 573200 -385.264 129.521 -15.2261 129.52 -118.285 -163.308 -15.2265 -163.308 -335.56 GPRESSURE: 573200 -351.361 203.237 -96.5603 187.887 -136.48 -171.205 -96.388 -217.113 -274.737 PRESSAVG: 573200 23.8964 33.4949 9.86636 33.495 -11.5274 12.4858 9.86643 12.4858 -33.4335 GPRESSAVG: 573200 22.645 29.1604 10.3014 35.6429 -10.8012 12.31 9.34841 13.7954 -32.9775 TIMING: 573200 CPU: 1811.85, 0.00316242/step Wall: 1811.85, 0.00316242/step, 3.88872 hours remaining, 233.636719 MB of memory in use. ENERGY: 573200 4018.4384 20666.2355 14598.8138 239.0129 -203134.6258 2434.6500 0.0000 0.0000 51840.4720 -109337.0031 297.9279 -161177.4751 -108985.0832 298.9391 -279.7031 -254.1924 761340.7903 -7.0215 -7.0446 PRESSURE: 573400 -104.387 -116.587 -34.6661 -116.588 -336.658 -174.951 -34.6656 -174.951 -296.499 GPRESSURE: 573400 -82.5546 -73.2031 23.6856 -124.139 -325.26 -98.0358 -93.8226 -117.656 -252.419 PRESSAVG: 573400 29.5513 -13.985 99.7174 -13.985 -49.0696 -2.66585 99.7175 -2.66584 -10.8237 GPRESSAVG: 573400 29.1823 -11.2679 100.875 -13.667 -48.6155 -4.35197 99.5376 -2.06635 -10.8528 TIMING: 573400 CPU: 1812.48, 0.00316713/step Wall: 1812.48, 0.00316713/step, 3.89434 hours remaining, 233.636719 MB of memory in use. ENERGY: 573400 4000.4339 20688.9195 14599.3190 268.5376 -203267.5549 2359.2901 0.0000 0.0000 51960.0053 -109391.0496 298.6149 -161351.0548 -109031.1734 299.0424 -245.8481 -220.0781 760941.4522 -10.1140 -10.0953 PRESSURE: 573600 -387.873 -55.2075 172.312 -55.2076 -151.281 22.9752 172.312 22.9743 135.348 GPRESSURE: 573600 -291.042 -56.1408 116.628 -67.6856 -142.771 34.4588 313.536 11.4431 100.069 PRESSAVG: 573600 30.5844 -15.3501 -1.78931 -15.3501 -2.91978 63.7742 -1.78936 63.7741 -2.49215 GPRESSAVG: 573600 32.5184 -15.0341 -1.71751 -15.677 -3.94468 66.3373 -1.97618 65.5614 -3.13846 TIMING: 573600 CPU: 1813.11, 0.00315077/step Wall: 1813.11, 0.00315077/step, 3.87404 hours remaining, 233.636719 MB of memory in use. ENERGY: 573600 3912.9667 20632.1087 14558.6387 258.5317 -203521.8377 2602.7781 0.0000 0.0000 52135.9425 -109420.8712 299.6260 -161556.8137 -109059.8083 299.4730 -134.6018 -111.2482 762710.1222 8.3908 8.4784 PRESSURE: 573800 166.903 -58.5118 133.585 -58.5116 -121.435 41.6874 133.586 41.6876 138.716 GPRESSURE: 573800 288.223 69.9242 112.163 -115.816 -100.805 -70.8511 94.3524 26.5942 85.3343 PRESSAVG: 573800 23.5356 -17.7976 -2.14579 -17.7977 -4.86134 -3.86993 -2.14583 -3.86992 4.17368 GPRESSAVG: 573800 23.3736 -20.1575 -1.49213 -16.4626 -5.00866 -5.91329 -0.748934 -6.226 3.83141 TIMING: 573800 CPU: 1813.75, 0.00318927/step Wall: 1813.75, 0.00318927/step, 3.9212 hours remaining, 233.636719 MB of memory in use. ENERGY: 573800 3973.4530 20664.5498 14516.0380 250.3220 -203761.8348 2748.9324 0.0000 0.0000 52174.6292 -109433.9104 299.8483 -161608.5396 -109069.7397 299.1181 61.3950 90.9177 761631.2717 7.6160 7.3988 PRESSURE: 574000 -152.565 -22.0921 -56.3869 -22.0937 -254.156 55.8817 -56.3869 55.8815 -251.927 GPRESSURE: 574000 -140.355 64.5799 -125.974 58.5193 -237.529 -9.01711 -10.9926 85.7978 -203.321 PRESSAVG: 574000 -0.476791 -49.656 12.6056 -49.656 -15.8727 -2.92504 12.6056 -2.92502 -12.2721 GPRESSAVG: 574000 -3.01603 -49.0107 12.4318 -49.9358 -14.7824 -1.22702 8.86164 -4.19175 -11.502 TIMING: 574000 CPU: 1814.38, 0.00317907/step Wall: 1814.38, 0.00317907/step, 3.90849 hours remaining, 233.636719 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: 574000 3999.9276 20604.3948 14626.7357 251.7901 -203485.3334 2604.8458 0.0000 0.0000 52131.7701 -109265.8693 299.6020 -161397.6394 -108903.9755 299.5408 -219.5493 -193.7349 762029.4052 -9.5406 -9.7668 PRESSURE: 574200 -109.811 -442.718 434.245 -442.717 -285.253 67.984 434.245 67.9854 -181.927 GPRESSURE: 574200 -134.058 -423.632 352.665 -406.372 -209.744 -58.3997 228.857 110.907 -130.015 PRESSAVG: 574200 33.9283 -33.1016 42.692 -33.1017 -10.6772 -30.692 42.692 -30.6919 10.5839 GPRESSAVG: 574200 34.2987 -33.5749 43.9809 -32.9877 -11.1954 -31.3289 44.8266 -28.2985 10.9796 TIMING: 574200 CPU: 1815.02, 0.00316579/step Wall: 1815.02, 0.00316579/step, 3.89198 hours remaining, 233.636719 MB of memory in use. ENERGY: 574200 3944.5575 20718.2883 14646.7393 244.2632 -203263.0705 2355.7050 0.0000 0.0000 52107.7699 -109245.7474 299.4641 -161353.5173 -108882.8427 299.6560 -192.3300 -157.9387 763453.6578 11.2783 11.3610 PRESSURE: 574400 -225.815 -24.5588 -114.243 -24.5586 8.95283 -182.557 -114.243 -182.555 -176.403 GPRESSURE: 574400 -182.771 -95.7271 -148.434 -21.9434 -21.946 -142.593 -63.7086 -239.996 -106.964 PRESSAVG: 574400 13.17 -41.2139 69.7812 -41.2139 -31.2955 29.1801 69.7812 29.1801 -1.07944 GPRESSAVG: 574400 12.5403 -42.6232 68.4189 -41.5905 -31.1502 28.31 68.945 28.6257 -0.833104 TIMING: 574400 CPU: 1815.65, 0.00317947/step Wall: 1815.65, 0.00317947/step, 3.90862 hours remaining, 233.636719 MB of memory in use. ENERGY: 574400 4017.0296 20967.5254 14554.8110 244.1881 -203933.7354 2699.5003 0.0000 0.0000 51996.1294 -109454.5517 298.8225 -161450.6810 -109102.7871 299.7635 -131.0885 -103.8938 761536.3925 -6.4016 -6.4810 PRESSURE: 574600 -152.002 -0.210099 91.0027 -0.210169 14.2888 -65.6624 91.0019 -65.663 -26.6358 GPRESSURE: 574600 -151.699 -12.9288 167.639 -8.27568 84.1809 -86.567 -40.8434 -21.444 -14.9648 PRESSAVG: 574600 14.3181 -8.95468 -14.4558 -8.95469 -9.53494 -50.1672 -14.4558 -50.1672 32.2402 GPRESSAVG: 574600 14.9564 -6.18781 -14.8976 -8.78138 -10.7474 -48.9428 -14.6314 -51.0723 32.5819 TIMING: 574600 CPU: 1816.28, 0.00314657/step Wall: 1816.28, 0.00314658/step, 3.86802 hours remaining, 233.636719 MB of memory in use. ENERGY: 574600 4009.9509 20520.9607 14551.0773 269.8049 -204128.3738 2990.9554 0.0000 0.0000 52339.2679 -109446.3568 300.7945 -161785.6246 -109079.0080 299.3106 -54.7829 -27.4943 761685.5168 12.3411 12.2636 PRESSURE: 574800 8.75018 -210.267 -170.497 -210.268 -8.57672 184.987 -170.498 184.985 253.353 GPRESSURE: 574800 58.639 -107.425 -88.5169 -290.228 -13.4795 182.7 -196.949 38.7534 314.256 PRESSAVG: 574800 -28.5215 21.6338 -3.52196 21.6339 -10.2195 -2.10485 -3.52194 -2.10486 -6.64669 GPRESSAVG: 574800 -27.8275 22.4387 -0.996838 20.1307 -9.67297 -3.98991 -4.00659 -1.55341 -7.31379 TIMING: 574800 CPU: 1816.91, 0.00315138/step Wall: 1816.91, 0.00315138/step, 3.87374 hours remaining, 233.636719 MB of memory in use. ENERGY: 574800 4022.7710 20630.6707 14520.3842 239.8254 -203251.7803 2724.0027 0.0000 0.0000 52088.5451 -109025.5813 299.3536 -161114.1264 -108659.3037 299.4816 84.5090 119.8053 763382.1821 -15.1292 -14.9381 PRESSURE: 575000 78.4832 -284.866 -178.38 -284.866 -577.183 9.25405 -178.38 9.25515 -244.178 GPRESSURE: 575000 95.0726 -188.333 -183.372 -326.542 -504.775 51.8222 -26.7149 -99.1564 -246.291 PRESSAVG: 575000 39.3554 -9.5718 -18.11 -9.57183 -35.5626 -28.7938 -18.11 -28.7938 -5.60494 GPRESSAVG: 575000 38.1905 -11.1083 -19.7832 -8.15882 -34.7243 -26.3816 -18.0173 -28.6244 -5.97533 TIMING: 575000 CPU: 1817.54, 0.00314552/step Wall: 1817.54, 0.00314552/step, 3.86637 hours remaining, 233.636719 MB of memory in use. ENERGY: 575000 3940.9721 20605.1506 14592.2820 238.7224 -202949.3456 2423.9997 0.0000 0.0000 52052.9822 -109095.2365 299.1492 -161148.2188 -108727.6894 300.0085 -247.6257 -218.6643 763986.8217 -0.6041 -0.8364 PRESSURE: 575200 -186.908 36.6513 -58.4449 36.6521 68.6254 276.967 -58.4453 276.967 -237.738 GPRESSURE: 575200 -166.516 11.3646 -14.9221 -48.6184 110.917 261.707 -45.6703 218.102 -204.756 PRESSAVG: 575200 -10.4863 6.85779 8.75709 6.85778 -12.2579 37.7347 8.75708 37.7347 13.0212 GPRESSAVG: 575200 -9.80985 4.24602 9.53677 7.97703 -13.3572 36.5571 9.235 38.7507 13.1788 TIMING: 575200 CPU: 1818.17, 0.00316031/step Wall: 1818.17, 0.00316031/step, 3.88438 hours remaining, 233.636719 MB of memory in use. ENERGY: 575200 4031.6573 20671.7654 14534.5393 238.9923 -203174.2624 2481.8344 0.0000 0.0000 52188.6222 -109026.8515 299.9287 -161215.4737 -108658.8517 299.6196 -118.6737 -86.7849 763287.1457 -3.2410 -3.3294 PRESSURE: 575400 37.9248 -290.126 256.074 -290.125 88.5669 59.3995 256.074 59.4001 80.9541 GPRESSURE: 575400 113.971 -220.257 272.501 -232.697 43.0271 -23.4154 201.156 -9.37374 125.17 PRESSAVG: 575400 53.7351 17.6454 5.83207 17.6455 -11.5197 13.4688 5.83213 13.4689 -16.6607 GPRESSAVG: 575400 53.2314 20.2384 7.12274 16.4267 -11.2562 12.6928 4.47928 13.0276 -16.3165 TIMING: 575400 CPU: 1818.8, 0.00315934/step Wall: 1818.8, 0.00315934/step, 3.883 hours remaining, 233.636719 MB of memory in use. ENERGY: 575400 3957.4095 20614.4999 14548.4626 257.2102 -203363.6309 2834.8690 0.0000 0.0000 52116.0644 -109035.1153 299.5117 -161151.1797 -108675.6348 299.7443 69.1486 94.0559 762968.2964 8.5182 8.5529 PRESSURE: 575600 -340.105 14.1765 -283.913 14.1761 5.52736 260.3 -283.914 260.3 62.3605 GPRESSURE: 575600 -306.04 48.3232 -228.805 34.3116 86.2044 226.999 -396.479 410.631 38.6949 PRESSAVG: 575600 13.6644 -8.85794 9.84071 -8.858 -3.33956 22.8238 9.8407 22.8239 7.03786 GPRESSAVG: 575600 13.6595 -10.2516 7.69586 -8.72206 -4.78362 23.5811 12.2877 22.9701 7.62843 TIMING: 575600 CPU: 1819.44, 0.00317184/step Wall: 1819.44, 0.00317184/step, 3.89819 hours remaining, 233.636719 MB of memory in use. ENERGY: 575600 3944.4881 20719.5240 14538.0874 258.0412 -202896.4669 2574.3341 0.0000 0.0000 51915.3943 -108946.5977 298.3585 -160861.9920 -108586.6382 299.4289 -90.7391 -60.3801 763203.7405 5.7876 5.5014 PRESSURE: 575800 157.201 -31.7894 143.65 -31.789 -117.598 -66.0203 143.651 -66.0218 385.997 GPRESSURE: 575800 135.152 91.1955 101.711 30.4473 -21.0359 -40.6219 197.658 -62.0223 397.252 PRESSAVG: 575800 -32.0708 22.6439 15.6955 22.6439 -13.4295 24.2683 15.6955 24.2682 -14.4071 GPRESSAVG: 575800 -31.8116 23.4102 15.692 23.6156 -13.0658 23.459 14.7799 25.6809 -15.395 TIMING: 575800 CPU: 1820.07, 0.00316444/step Wall: 1820.07, 0.00316444/step, 3.88892 hours remaining, 233.636719 MB of memory in use. ENERGY: 575800 3860.7897 20583.7372 14522.1749 241.2977 -203713.4042 2992.6929 0.0000 0.0000 52515.4012 -108997.3107 301.8067 -161512.7119 -108627.6372 299.5542 141.8665 170.4562 762932.2663 -19.9691 -20.0908 PRESSURE: 576000 -110.405 138.194 4.83864 138.194 -393.452 429.765 4.83825 429.765 -189.284 GPRESSURE: 576000 -73.2816 159.211 -3.98784 207.351 -356.965 455.335 195.797 280.705 -184.84 PRESSAVG: 576000 -7.91419 21.0556 8.24973 21.0557 -10.447 62.688 8.24973 62.6879 3.15091 GPRESSAVG: 576000 -8.52095 22.3773 8.08368 20.2413 -10.1318 62.7054 11.4658 59.3262 3.98257 TIMING: 576000 CPU: 1820.71, 0.00316855/step Wall: 1820.71, 0.00316855/step, 3.89379 hours remaining, 233.636719 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: 576000 4035.4087 20530.6797 14595.0721 240.3398 -203147.6417 2609.9692 0.0000 0.0000 52065.6116 -109070.5606 299.2218 -161136.1722 -108708.1910 299.4806 -231.0468 -205.0290 762745.7920 -5.0701 -4.8901 PRESSURE: 576200 -156.561 -30.0482 120.296 -30.0482 -67.7643 -90.9173 120.297 -90.9173 223.096 GPRESSURE: 576200 -114.955 -39.5025 154.682 -60.4587 -23.1488 -98.9397 113.579 -147.542 235.021 PRESSAVG: 576200 25.8009 -6.15409 23.7187 -6.15411 -42.6392 18.7137 23.7187 18.7135 -4.02932 GPRESSAVG: 576200 26.8093 -6.74248 23.7226 -6.00062 -43.0286 17.8282 21.3436 19.3709 -4.21101 TIMING: 576200 CPU: 1821.34, 0.00314914/step Wall: 1821.34, 0.00314914/step, 3.86977 hours remaining, 233.636719 MB of memory in use. ENERGY: 576200 4010.9338 20408.0325 14581.0531 235.1543 -202957.4313 2358.4031 0.0000 0.0000 52312.6473 -109051.2073 300.6415 -161363.8546 -108685.8898 299.7040 -0.4100 32.3056 760940.0077 -6.9559 -6.8101 LDB: ============= START OF LOAD BALANCING ============== 1833.87 LDB: ============== END OF LOAD BALANCING =============== 1833.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1833.87 LDB: ============= START OF LOAD BALANCING ============== 1834.18 LDB: Largest compute 7026 load 0.031430 is 16.1% of average load 0.195292 LDB: Average compute 0.004388 is 2.2% of average load 0.195292 LDB: TIME 1834.19 LOAD: AVG 0.195292 MAX 0.212363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.965 MB LDB: TIME 1834.19 LOAD: AVG 0.195292 MAX 0.212363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.965 MB LDB: TIME 1834.19 LOAD: AVG 0.195292 MAX 0.212363 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.965 MB LDB: ============== END OF LOAD BALANCING =============== 1834.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1834.19 PRESSURE: 576400 443.857 -32.0623 54.4372 -32.0627 -131.064 -234.625 54.4379 -234.624 238.818 GPRESSURE: 576400 435.118 -63.7578 121.13 28.9655 36.787 -223.543 19.7932 -163.948 175.292 PRESSAVG: 576400 -36.5695 -38.9096 4.06998 -38.9096 -29.8791 13.3723 4.06999 13.3724 17.4807 GPRESSAVG: 576400 -37.0663 -40.2 5.60323 -39.3873 -28.9596 14.1448 4.52537 16.0837 17.3604 TIMING: 576400 CPU: 1821.98, 0.00320993/step Wall: 1821.98, 0.00320993/step, 3.9443 hours remaining, 234.148438 MB of memory in use. ENERGY: 576400 3999.5367 20667.3502 14515.9146 254.3413 -203409.8920 2585.0017 0.0000 0.0000 52214.9223 -109172.8253 300.0799 -161387.7477 -108819.8808 299.7224 183.8704 215.7325 760653.7300 -16.3227 -16.2218 PRESSURE: 576600 -290.794 348.133 49.1167 348.132 -358.271 1.27874 49.1166 1.27968 -260.307 GPRESSURE: 576600 -246.675 273.139 -5.90747 199.216 -286.934 40.1216 -2.66375 35.151 -280.314 PRESSAVG: 576600 49.8863 10.1564 -30.2075 10.1563 4.1037 18.9921 -30.2075 18.9921 9.06415 GPRESSAVG: 576600 49.0268 8.54535 -30.7212 10.2998 3.65052 18.892 -30.4845 17.3886 9.64074 TIMING: 576600 CPU: 1822.6, 0.00312849/step Wall: 1822.6, 0.00312849/step, 3.84405 hours remaining, 234.148438 MB of memory in use. ENERGY: 576600 4026.0184 20526.4760 14555.1144 242.9134 -202970.1716 2580.1669 0.0000 0.0000 51925.5672 -109113.9153 298.4169 -161039.4826 -108747.0454 299.2320 -303.1241 -271.3075 762731.6770 21.0181 20.7727 PRESSURE: 576800 626.281 -244.105 56.8846 -244.104 463.325 -103.61 56.8848 -103.61 -55.33 GPRESSURE: 576800 599.429 -161.312 119.554 -213.739 492.347 -93.6813 110.325 -94.5508 24.7054 PRESSAVG: 576800 -31.7793 7.56786 -7.16671 7.56787 18.1058 -30.1352 -7.16665 -30.1351 3.21507 GPRESSAVG: 576800 -31.8525 10.0563 -9.12147 8.94359 17.926 -29.489 -8.99018 -30.4747 3.42513 TIMING: 576800 CPU: 1823.24, 0.00315971/step Wall: 1823.24, 0.00315971/step, 3.88223 hours remaining, 234.148438 MB of memory in use. ENERGY: 576800 3931.1710 20431.6026 14528.3066 242.4516 -203551.1827 2727.4003 0.0000 0.0000 52455.3204 -109234.9302 301.4614 -161690.2506 -108865.9815 299.6323 344.7587 372.1603 760662.9854 -3.4861 -3.5005 PRESSURE: 577000 260.754 302.663 27.01 302.664 -473.636 -166.771 27.0105 -166.771 -136.721 GPRESSURE: 577000 254.762 216.892 25.8387 272.535 -458.149 -202.478 153.549 -210.569 -53.7067 PRESSAVG: 577000 -9.49645 -18.3804 9.72353 -18.3805 47.6817 -30.6066 9.7235 -30.6066 -8.96523 GPRESSAVG: 577000 -8.89164 -18.2614 11.8537 -19.8013 47.1644 -30.2339 10.8038 -30.1746 -9.08128 TIMING: 577000 CPU: 1823.87, 0.0031484/step Wall: 1823.87, 0.0031484/step, 3.86816 hours remaining, 234.148438 MB of memory in use. ENERGY: 577000 3968.8477 20487.5851 14539.5742 243.8351 -203140.1204 2481.5816 0.0000 0.0000 52082.1486 -109336.5483 299.3168 -161418.6969 -108966.3732 299.4036 -116.5342 -85.6978 762292.6151 9.7400 9.7305 PRESSURE: 577200 27.6194 25.9666 -188.882 25.9671 -139.54 -2.36243 -188.882 -2.36173 -32.3662 GPRESSURE: 577200 -39.3368 91.4666 -186.264 -33.1356 -38.3639 17.307 -214.1 9.72946 22.0902 PRESSAVG: 577200 28.8673 -38.6612 -43.5685 -38.6611 -36.1216 -20.0828 -43.5684 -20.0828 9.64434 GPRESSAVG: 577200 29.4326 -39.0979 -45.8561 -37.8114 -35.6306 -19.5649 -44.1014 -21.9512 8.26645 TIMING: 577200 CPU: 1824.5, 0.00316012/step Wall: 1824.5, 0.00316012/step, 3.88239 hours remaining, 234.148438 MB of memory in use. ENERGY: 577200 3965.1946 20392.4092 14526.5312 243.8554 -203328.6669 2517.4650 0.0000 0.0000 52150.2673 -109532.9442 299.7083 -161683.2115 -109164.8212 298.6984 -48.0957 -18.5368 761367.3705 0.7967 0.6895 PRESSURE: 577400 117.149 -23.323 277.005 -23.3222 -245.441 60.504 277.006 60.5045 -64.3467 GPRESSURE: 577400 175.764 28.7135 303.387 7.15827 -197.013 79.0506 245.06 28.9511 -84.2264 PRESSAVG: 577400 -14.6868 11.3092 -40.3903 11.3092 30.0227 -38.5531 -40.3903 -38.5531 15.0997 GPRESSAVG: 577400 -15.6942 10.5612 -39.6373 10.2975 30.3246 -39.3153 -39.0406 -37.1879 15.9905 TIMING: 577400 CPU: 1825.13, 0.00315183/step Wall: 1825.13, 0.00315183/step, 3.87203 hours remaining, 234.148438 MB of memory in use. ENERGY: 577400 4036.1628 20557.7075 14498.5689 244.0056 -203846.4709 2780.4147 0.0000 0.0000 52133.4723 -109596.1391 299.6118 -161729.6114 -109233.6407 298.5175 -64.2131 -35.1585 761015.7319 10.1452 10.2069 PRESSURE: 577600 171.736 41.8724 -6.0104 41.8728 170.87 -183.558 -6.01015 -183.559 -87.4482 GPRESSURE: 577600 128.477 38.8757 40.2142 -87.076 155.932 -102.777 93.1556 -23.0193 36.9952 PRESSAVG: 577600 -62.7973 20.9313 24.1419 20.9313 90.4591 -72.8464 24.1419 -72.8464 9.91455 GPRESSAVG: 577600 -62.6245 20.5937 24.6527 20.9426 88.5053 -72.2616 24.896 -74.483 10.9978 TIMING: 577600 CPU: 1825.76, 0.00315805/step Wall: 1825.76, 0.00315805/step, 3.87949 hours remaining, 234.148438 MB of memory in use. ENERGY: 577600 4065.8644 20635.0103 14483.7719 246.0712 -203337.2250 2658.2656 0.0000 0.0000 51985.2217 -109263.0199 298.7598 -161248.2416 -108900.9153 298.9307 85.0524 107.1347 760591.6742 12.5254 12.2929 PRESSURE: 577800 -221.069 -221.258 -172.227 -221.258 -290.494 -68.8199 -172.227 -68.8195 -264.568 GPRESSURE: 577800 -148.629 -201.94 -81.4715 -145.359 -261.436 -66.7276 -193.255 -153.876 -271.932 PRESSAVG: 577800 26.8983 -31.033 51.5627 -31.033 -8.93168 -33.3471 51.5626 -33.3472 -11.3093 GPRESSAVG: 577800 26.9073 -30.9854 51.6391 -30.7217 -8.09183 -34.6156 51.058 -33.8563 -12.7193 TIMING: 577800 CPU: 1826.39, 0.0031564/step Wall: 1826.39, 0.0031564/step, 3.87729 hours remaining, 234.148438 MB of memory in use. ENERGY: 577800 3983.5798 20636.8083 14606.4122 236.8988 -203114.9444 2322.9970 0.0000 0.0000 51938.3096 -109389.9386 298.4902 -161328.2482 -109016.6539 299.6418 -258.7103 -227.3323 760670.6375 2.2191 2.0321 PRESSURE: 578000 -123.932 140.937 -230.338 140.937 -337.212 87.4537 -230.337 87.4528 -116.457 GPRESSURE: 578000 -41.293 140.287 -241.587 156.246 -300.067 12.8889 -172.038 171.141 -164.22 PRESSAVG: 578000 -21.8363 -21.0906 -16.4344 -21.0906 11.8861 -1.62231 -16.4344 -1.62229 15.4006 GPRESSAVG: 578000 -21.3384 -20.9911 -20.2266 -20.3441 10.2586 -0.389273 -14.21 0.581931 15.8595 TIMING: 578000 CPU: 1827.02, 0.00314671/step Wall: 1827.02, 0.00314671/step, 3.86521 hours remaining, 234.148438 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: 578000 3996.8580 20531.3689 14523.0328 236.8903 -203222.6186 2353.1868 0.0000 0.0000 52135.5857 -109445.6961 299.6239 -161581.2817 -109073.8739 299.2115 -192.5336 -168.5267 763876.5519 1.8168 1.5932 PRESSURE: 578200 -251.806 -89.8332 -254.438 -89.8327 -168.449 45.5277 -254.438 45.5284 96.9117 GPRESSURE: 578200 -309.061 -119.078 -259.564 -45.5526 -130.289 44.613 -29.9069 120.969 195.926 PRESSAVG: 578200 21.9445 -15.9211 -12.7991 -15.921 -25.8356 30.0636 -12.799 30.0637 -0.680712 GPRESSAVG: 578200 21.6048 -14.933 -10.06 -16.7939 -24.2866 29.6348 -14.1443 30.0953 -1.5859 TIMING: 578200 CPU: 1827.65, 0.00314066/step Wall: 1827.65, 0.00314066/step, 3.8576 hours remaining, 234.148438 MB of memory in use. ENERGY: 578200 4034.3066 20472.5807 14464.8089 261.8295 -203190.1409 2580.8195 0.0000 0.0000 51887.3719 -109488.4238 298.1974 -161375.7957 -109130.8097 298.6430 -107.7811 -81.1412 764412.6204 -1.5240 -1.4226 PRESSURE: 578400 -77.5291 60.9424 237.916 60.9417 -666.202 -74.3409 237.917 -74.3402 -569.458 GPRESSURE: 578400 -10.5106 107.064 205.735 25.3287 -674.083 -123.161 194.668 -110.615 -532.685 PRESSAVG: 578400 44.5864 5.68415 -8.36843 5.68414 -61.0029 -26.3078 -8.36843 -26.3079 7.95586 GPRESSAVG: 578400 42.7155 5.1537 -8.48277 6.3608 -59.6054 -26.9268 -7.79178 -27.7572 8.83623 TIMING: 578400 CPU: 1828.28, 0.00314118/step Wall: 1828.28, 0.00314118/step, 3.85807 hours remaining, 234.148438 MB of memory in use. ENERGY: 578400 3997.5321 20601.7972 14516.8627 269.1400 -203541.1525 2706.9594 0.0000 0.0000 51796.8639 -109651.9971 297.6773 -161448.8610 -109295.1515 298.6100 -437.7299 -405.7597 764667.1077 -2.8202 -2.6846 PRESSURE: 578600 254.337 54.0892 47.6949 54.0892 276.659 40.4621 47.6956 40.4611 632.776 GPRESSURE: 578600 341.186 56.592 30.1872 4.88499 301.607 113.978 94.4289 163.888 607.411 PRESSAVG: 578600 40.3699 -13.2907 22.7292 -13.2907 -27.8651 67.8892 22.7293 67.8891 -11.4383 GPRESSAVG: 578600 42.6637 -12.8586 20.575 -16.5091 -29.2577 70.4786 24.3753 68.9557 -12.529 TIMING: 578600 CPU: 1828.9, 0.00314246/step Wall: 1828.9, 0.00314246/step, 3.85946 hours remaining, 234.148438 MB of memory in use. ENERGY: 578600 3970.5296 20449.5339 14566.2261 226.8007 -203864.6169 3069.2597 0.0000 0.0000 51877.2792 -109704.9877 298.1394 -161582.2669 -109339.1287 298.3186 387.9239 416.7345 763144.3698 0.3555 0.2924 PRESSURE: 578800 369.006 -62.9343 66.7586 -62.9341 -96.9551 -130.465 66.7593 -130.464 -177.226 GPRESSURE: 578800 230.818 -111.323 94.7671 -52.1583 89.659 -118.957 69.3001 -183.088 -152.363 PRESSAVG: 578800 21.5265 -6.0723 28.8942 -6.07232 -36.9321 6.08608 28.8943 6.08602 -13.7414 GPRESSAVG: 578800 19.1761 -8.11658 30.1298 -4.08052 -36.0799 4.50859 28.0123 4.14105 -12.1862 TIMING: 578800 CPU: 1829.54, 0.00317069/step Wall: 1829.54, 0.00317069/step, 3.89396 hours remaining, 234.148438 MB of memory in use. ENERGY: 578800 4048.6519 20653.4078 14518.2674 241.8001 -203744.8516 2844.9344 0.0000 0.0000 51823.7886 -109614.0013 297.8320 -161437.7899 -109258.8885 298.2399 31.6082 56.0380 761425.2787 -9.7157 -9.6967 PRESSURE: 579000 89.3781 -22.3264 -108.779 -22.327 109.699 241.027 -108.779 241.026 -321.895 GPRESSURE: 579000 213.263 -5.11162 -70.6024 -103.227 52.7907 266.063 -195.008 208.223 -293.186 PRESSAVG: 579000 -19.1092 36.1407 38.4545 36.1407 29.6339 -4.33006 38.4545 -4.33 14.6731 GPRESSAVG: 579000 -18.82 37.2477 38.6412 34.3402 28.0824 -4.73571 37.8664 -2.83407 16.106 TIMING: 579000 CPU: 1830.17, 0.00316449/step Wall: 1830.17, 0.00316449/step, 3.88617 hours remaining, 234.148438 MB of memory in use. ENERGY: 579000 3999.7180 20597.2542 14517.2291 255.2469 -203782.5967 2841.4159 0.0000 0.0000 51997.8880 -109573.8447 298.8326 -161571.7327 -109207.0194 298.3818 -40.9393 -9.0440 762915.4128 8.3993 8.4561 PRESSURE: 579200 -200.539 53.022 128.781 53.0214 -125.796 -151.977 128.781 -151.978 -13.3056 GPRESSURE: 579200 -210.007 67.6997 177.677 36.9254 -23.8545 -54.5726 296.133 -135 -45.8077 PRESSAVG: 579200 -68.0282 -5.05194 69.1354 -5.05195 26.8749 45.9724 69.1354 45.9723 15.5709 GPRESSAVG: 579200 -66.732 -4.45307 70.7556 -4.86011 26.6522 45.7327 69.5075 48.4514 14.1455 TIMING: 579200 CPU: 1830.8, 0.00314325/step Wall: 1830.8, 0.00314325/step, 3.85992 hours remaining, 234.148438 MB of memory in use. ENERGY: 579200 3907.0098 20472.9399 14598.3595 256.8794 -203485.3670 2723.7218 0.0000 0.0000 52100.1306 -109426.3260 299.4202 -161526.4566 -109064.5947 298.6189 -113.2135 -93.2232 762381.7337 -8.5275 -8.6448 PRESSURE: 579400 -412.812 -171.751 -286.205 -171.752 3.1651 171.854 -286.205 171.854 -310.914 GPRESSURE: 579400 -358.055 -133.001 -258.774 -162.059 -16.1295 163.862 -244.204 216.498 -275.407 PRESSAVG: 579400 10.9623 12.8517 -43.6644 12.8517 -9.60826 -35.186 -43.6644 -35.186 -11.5012 GPRESSAVG: 579400 11.1132 11.6868 -43.3717 14.0717 -9.55348 -34.2116 -45.9318 -37.0692 -11.8398 TIMING: 579400 CPU: 1831.43, 0.00314393/step Wall: 1831.43, 0.00314393/step, 3.86058 hours remaining, 234.148438 MB of memory in use. ENERGY: 579400 4008.6584 20528.5733 14583.0965 275.4387 -203405.5139 2455.9803 0.0000 0.0000 52002.3641 -109551.4026 298.8583 -161553.7667 -109186.6519 299.1576 -240.1870 -216.5304 761763.4244 -3.3824 -3.4267 PRESSURE: 579600 -11.3592 12.645 -49.3408 12.6453 148.046 150.932 -49.3406 150.931 150.887 GPRESSURE: 579600 -29.1263 45.5437 -57.0182 -90.6279 178.2 123.106 59.6788 -32.8713 202.415 PRESSAVG: 579600 -10.7292 -21.2324 -19.9553 -21.2324 11.1025 -16.7007 -19.9553 -16.7007 -14.2224 GPRESSAVG: 579600 -13.0113 -19.1665 -21.4976 -21.4514 12.2249 -15.3177 -17.4911 -18.7399 -13.2527 TIMING: 579600 CPU: 1832.06, 0.00314394/step Wall: 1832.06, 0.00314394/step, 3.86041 hours remaining, 234.148438 MB of memory in use. ENERGY: 579600 4040.5623 20595.5446 14510.0827 244.3530 -203712.7589 2774.5728 0.0000 0.0000 51884.2779 -109663.3657 298.1797 -161547.6436 -109307.6565 298.8408 95.8579 117.1632 761703.4652 -4.6164 -4.6797 PRESSURE: 579800 114.253 12.6191 -244.469 12.6192 149.826 20.0708 -244.468 20.0716 -164.234 GPRESSURE: 579800 132.335 15.2236 -203.921 61.937 212.942 87.3223 -182.648 -95.5595 -171.107 PRESSAVG: 579800 -33.6693 15.8834 -33.5934 15.8834 13.0975 18.119 -33.5933 18.119 13.8455 GPRESSAVG: 579800 -33.023 14.9616 -34.2281 13.4688 11.0665 17.4045 -33.5371 18.2592 14.8047 TIMING: 579800 CPU: 1832.69, 0.00314723/step Wall: 1832.69, 0.00314723/step, 3.86427 hours remaining, 234.148438 MB of memory in use. ENERGY: 579800 3997.3977 20623.6160 14460.4213 245.6915 -203597.7747 2855.3806 0.0000 0.0000 51594.8743 -109820.3932 296.5165 -161415.2675 -109466.0932 298.0605 33.2815 58.0567 762360.3274 -2.2421 -2.3839 PRESSURE: 580000 -196.462 172.435 96.5312 172.434 -355.113 10.3004 96.5299 10.3009 -177.939 GPRESSURE: 580000 -240.402 207.21 173.662 78.5354 -313.582 61.296 31.4248 -54.5868 -111.256 PRESSAVG: 580000 -20.5395 46.0114 1.87221 46.0114 13.5578 10.9255 1.87218 10.9255 1.23789 GPRESSAVG: 580000 -20.6755 45.7438 1.77596 48.5788 15.6563 10.1458 -0.128787 10.1815 -0.176246 TIMING: 580000 CPU: 1833.32, 0.0031591/step Wall: 1833.32, 0.0031591/step, 3.87867 hours remaining, 234.351562 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: 580000 3968.1902 20610.7726 14507.1055 244.1717 -203670.0364 2413.7350 0.0000 0.0000 52269.4325 -109656.6290 300.3931 -161926.0614 -109282.9717 298.2858 -243.1714 -221.7468 761037.3349 -1.9146 -1.7318 PRESSURE: 580200 -84.4626 33.7678 -133.008 33.7675 -155.385 110.581 -133.008 110.581 -145.134 GPRESSURE: 580200 -13.1468 -2.25099 -174.308 67.413 -227.839 86.8532 -30.8783 190.045 -51.2682 PRESSAVG: 580200 -13.9993 35.7116 -29.2404 35.7116 16.8473 30.4233 -29.2403 30.4233 -9.11963 GPRESSAVG: 580200 -12.9921 34.2776 -28.6912 35.2758 15.5297 29.4613 -27.9209 32.2623 -8.78434 TIMING: 580200 CPU: 1833.95, 0.00315226/step Wall: 1833.95, 0.00315226/step, 3.8701 hours remaining, 234.351562 MB of memory in use. ENERGY: 580200 3953.6281 20609.3223 14500.7843 261.3181 -203532.5070 2559.9523 0.0000 0.0000 52042.1805 -109605.3213 299.0871 -161647.5018 -109238.8930 298.8956 -128.3271 -97.4178 759969.3406 -2.0905 -2.0822 LDB: ============= START OF LOAD BALANCING ============== 1846.48 LDB: ============== END OF LOAD BALANCING =============== 1846.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1846.48 LDB: ============= START OF LOAD BALANCING ============== 1846.8 LDB: Largest compute 7026 load 0.031609 is 16.2% of average load 0.195311 LDB: Average compute 0.004406 is 2.3% of average load 0.195311 LDB: TIME 1846.81 LOAD: AVG 0.195311 MAX 0.211971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.41 MB LDB: TIME 1846.81 LOAD: AVG 0.195311 MAX 0.211971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: TIME 1846.81 LOAD: AVG 0.195311 MAX 0.211971 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.41 MB LDB: ============== END OF LOAD BALANCING =============== 1846.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1846.81 PRESSURE: 580400 -421.021 -125.878 181.894 -125.878 -7.95868 44.4015 181.895 44.4018 -348.16 GPRESSURE: 580400 -374.84 -165.042 199.168 -110.094 -80.7653 81.1343 53.5007 7.13143 -214.978 PRESSAVG: 580400 -5.76654 18.7371 -24.8623 18.7371 -27.8027 27.4414 -24.8623 27.4415 -10.4102 GPRESSAVG: 580400 -6.53677 19.1789 -25.0301 18.7674 -27.0842 28.5951 -24.0804 26.7851 -10.4741 TIMING: 580400 CPU: 1834.6, 0.00323269/step Wall: 1834.6, 0.00323269/step, 3.96866 hours remaining, 233.695312 MB of memory in use. ENERGY: 580400 4011.2458 20547.2010 14496.0387 243.5553 -203437.9706 2435.8386 0.0000 0.0000 52031.0275 -109673.0638 299.0230 -161704.0913 -109301.8814 299.0323 -259.0463 -223.5276 760997.9254 -14.6598 -14.6983 PRESSURE: 580600 -128.701 53.0061 76.7438 53.0063 -73.9743 38.0974 76.7434 38.0969 25.4257 GPRESSURE: 580600 -72.8678 -9.68467 94.5531 8.44013 -31.1142 -64.7027 0.23013 -69.3622 9.66747 PRESSAVG: 580600 20.6974 -19.2025 -18.9994 -19.2025 18.3694 1.55549 -18.9994 1.55544 27.5774 GPRESSAVG: 580600 21.037 -18.5235 -18.4352 -17.7479 17.1664 1.87704 -20.1794 0.394153 28.3696 TIMING: 580600 CPU: 1835.23, 0.00317024/step Wall: 1835.23, 0.00317024/step, 3.89182 hours remaining, 233.695312 MB of memory in use. ENERGY: 580600 4006.4042 20542.0802 14463.0647 238.5647 -203552.9954 2587.7834 0.0000 0.0000 51973.3948 -109741.7034 298.6918 -161715.0982 -109377.7064 298.5103 -59.0831 -31.4382 759897.5963 22.2147 22.1910 PRESSURE: 580800 -143.917 75.0165 -40.1791 75.0165 -38.9902 118.016 -40.1789 118.013 -245.434 GPRESSURE: 580800 -174.639 56.3604 -4.12449 14.985 64.0062 204.852 -43.4907 267.656 -237.032 PRESSAVG: 580800 -38.7358 -53.4651 -63.2528 -53.4651 19.6778 46.4831 -63.2528 46.4831 16.8373 GPRESSAVG: 580800 -37.9189 -52.7174 -63.6572 -53.8826 20.4218 46.7774 -62.0976 48.6141 15.409 TIMING: 580800 CPU: 1835.86, 0.00316124/step Wall: 1835.86, 0.00316124/step, 3.8806 hours remaining, 233.695312 MB of memory in use. ENERGY: 580800 3988.6810 20432.7086 14494.2457 238.5543 -203549.5069 2544.6427 0.0000 0.0000 51888.3318 -109962.3427 298.2030 -161850.6745 -109598.5558 298.2558 -142.7805 -115.8882 762106.7824 -0.7402 -0.6961 PRESSURE: 581000 -146.659 16.0111 -63.2567 16.0109 210.628 80.6743 -63.2564 80.675 -57.429 GPRESSURE: 581000 -37.1997 54.196 -265.927 -11.4993 194.321 24.7574 -90.7269 19.0141 -69.9137 PRESSAVG: 581000 -93.4913 -8.46625 -69.0939 -8.46624 74.3588 -11.1187 -69.0938 -11.1186 5.00972 GPRESSAVG: 581000 -93.7466 -10.5288 -68.1972 -7.58235 74.1692 -12.0276 -70.4094 -11.279 6.05245 TIMING: 581000 CPU: 1836.49, 0.0031492/step Wall: 1836.49, 0.0031492/step, 3.86564 hours remaining, 233.695312 MB of memory in use. ENERGY: 581000 3991.2287 20500.7586 14552.4719 282.3141 -203391.5144 2575.8264 0.0000 0.0000 51652.2536 -109836.6611 296.8462 -161488.9147 -109467.1502 297.9310 2.1799 29.0693 760898.1712 -4.7076 -4.5083 PRESSURE: 581200 -11.7648 206.403 150.021 206.403 20.2166 -26.2806 150.021 -26.281 28.5218 GPRESSURE: 581200 35.1541 48.0879 143.122 137.705 68.835 -19.3868 44.5286 78.8124 27.9182 PRESSAVG: 581200 -60.7017 -25.7526 -5.65992 -25.7526 28.0939 -5.11715 -5.65991 -5.11724 18.821 GPRESSAVG: 581200 -60.2979 -25.0429 -6.58084 -28.0041 28.1216 -5.52286 -3.67529 -5.06103 17.5476 TIMING: 581200 CPU: 1837.12, 0.0031547/step Wall: 1837.12, 0.0031547/step, 3.87222 hours remaining, 233.695312 MB of memory in use. ENERGY: 581200 4053.2575 20546.9828 14468.2622 241.4251 -203902.7085 2998.3711 0.0000 0.0000 51740.1536 -109854.2561 297.3514 -161594.4098 -109490.6776 297.8423 12.3245 43.9691 760488.7828 -4.5956 -4.8762 PRESSURE: 581400 178.489 -281.52 -73.4878 -281.519 -192.614 -198.669 -73.4883 -198.668 -1.21112 GPRESSURE: 581400 188.14 -214.985 -158.049 -320.18 -169.161 -108.207 -54.0322 -106.106 48.5611 PRESSAVG: 581400 -5.10906 -10.0483 84.2578 -10.0483 7.6223 10.5403 84.2577 10.5402 6.21945 GPRESSAVG: 581400 -5.412 -9.72669 85.5833 -10.66 8.93125 11.4289 82.2513 10.0099 5.18139 TIMING: 581400 CPU: 1837.75, 0.00315402/step Wall: 1837.75, 0.00315402/step, 3.87121 hours remaining, 233.695312 MB of memory in use. ENERGY: 581400 3972.3403 20618.9764 14497.7627 234.4259 -204002.8936 2912.3573 0.0000 0.0000 51973.5042 -109793.5267 298.6924 -161767.0310 -109425.5460 298.0609 -5.1121 22.5133 761302.2488 2.9109 2.9002 PRESSURE: 581600 145.954 120.157 115.111 120.157 -48.5975 84.1239 115.111 84.124 77.0993 GPRESSURE: 581600 165.196 202.649 132.18 101.632 50.5318 62.0103 197.659 -113.999 64.9505 PRESSAVG: 581600 2.13469 25.4334 27.9411 25.4335 -35.0677 0.449294 27.941 0.449221 -22.2642 GPRESSAVG: 581600 2.94134 24.557 27.1316 25.3835 -37.5388 -0.733446 31.0477 -0.506169 -20.9306 TIMING: 581600 CPU: 1838.38, 0.00312894/step Wall: 1838.38, 0.00312894/step, 3.84025 hours remaining, 233.695312 MB of memory in use. ENERGY: 581600 4000.7109 20467.3735 14466.8227 248.8644 -203791.4946 2769.2079 0.0000 0.0000 51840.9312 -109997.5840 297.9305 -161838.5152 -109623.0494 298.4080 58.1520 93.5594 760836.1400 -18.3991 -18.5094 PRESSURE: 581800 -99.9311 64.4012 224.113 64.401 22.3779 36.1287 224.113 36.1275 -128.676 GPRESSURE: 581800 -75.4538 40.4626 216.548 88.0428 8.83356 87.4209 91.7475 283.017 -84.9932 PRESSAVG: 581800 4.03793 -23.8337 6.29181 -23.8336 -5.58675 42.8244 6.29184 42.8244 -22.5655 GPRESSAVG: 581800 2.63775 -22.9225 6.55209 -24.0732 -3.87962 44.3497 4.99143 42.2006 -22.7489 TIMING: 581800 CPU: 1839, 0.00312397/step Wall: 1839, 0.00312397/step, 3.83398 hours remaining, 233.695312 MB of memory in use. ENERGY: 581800 4005.5860 20561.8897 14551.5781 234.6696 -203693.3981 2585.4911 0.0000 0.0000 51783.7459 -109970.4377 297.6019 -161754.1835 -109603.1033 297.7805 -68.7432 -50.5378 762326.8080 -8.0381 -7.9969 PRESSURE: 582000 21.457 34.8893 352.221 34.8891 -235.45 -162.564 352.221 -162.564 64.3356 GPRESSURE: 582000 97.5572 -30.9202 302.21 38.9421 -242.502 -188.686 336.308 -0.334158 66.1221 PRESSAVG: 582000 16.1759 25.7313 15.8702 25.7313 -6.21875 44.8431 15.8701 44.8431 -14.8528 GPRESSAVG: 582000 15.6884 27.003 14.7189 27.0917 -6.04835 45.1024 15.212 47.3293 -13.9369 TIMING: 582000 CPU: 1839.63, 0.0031367/step Wall: 1839.63, 0.0031367/step, 3.84943 hours remaining, 233.695312 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: 582000 3907.6014 20682.0630 14509.9928 230.1116 -204042.6684 2921.7090 0.0000 0.0000 51914.1610 -109877.0296 298.3514 -161791.1906 -109513.4616 297.8899 -49.8857 -26.2742 762559.7380 -1.6319 -1.4323 PRESSURE: 582200 -45.2098 229.098 116.666 229.098 -26.0016 -11.7515 116.665 -11.7518 122.302 GPRESSURE: 582200 0.548708 275.25 82.1273 67.4361 49.3147 -86.4273 18.5304 -50.7322 95.756 PRESSAVG: 582200 39.1527 -9.38478 -8.69763 -9.38473 -53.704 -19.6945 -8.69761 -19.6946 22.3706 GPRESSAVG: 582200 40.0057 -9.60771 -8.50286 -11.7797 -54.0025 -19.8906 -8.40955 -21.7425 21.9047 TIMING: 582200 CPU: 1840.26, 0.00315294/step Wall: 1840.26, 0.00315294/step, 3.86919 hours remaining, 233.695312 MB of memory in use. ENERGY: 582200 4061.0788 20583.7184 14531.7934 240.6898 -203854.9041 2879.7231 0.0000 0.0000 51830.3655 -109727.5351 297.8698 -161557.9006 -109372.4066 298.3468 17.0301 48.5398 763142.7986 2.6064 2.6360 PRESSURE: 582400 -288.027 66.6001 149.467 66.6008 -319.467 9.12916 149.467 9.12891 -585.246 GPRESSURE: 582400 -288.012 35.0036 98.6814 16.309 -292.134 -34.4936 167.675 92.2544 -507.961 PRESSAVG: 582400 23.3601 23.1413 26.0747 23.1413 -10.4866 -20.8956 26.0747 -20.8955 -15.5345 GPRESSAVG: 582400 23.1528 21.2935 25.7237 26.5546 -11.2294 -19.9817 24.8214 -17.9747 -15.0429 TIMING: 582400 CPU: 1840.89, 0.00312571/step Wall: 1840.89, 0.00312571/step, 3.8356 hours remaining, 233.695312 MB of memory in use. ENERGY: 582400 4067.8872 20604.8686 14461.8633 267.9676 -203620.9173 2652.9558 0.0000 0.0000 51857.7498 -109707.6250 298.0272 -161565.3748 -109357.3788 298.1677 -397.5801 -362.7023 762601.6320 -0.8870 -1.0398 PRESSURE: 582600 -302.788 87.9903 36.2011 87.9904 -316.225 -29.9129 36.2014 -29.9126 215.923 GPRESSURE: 582600 -251.717 31.3428 38.6239 127.492 -290.342 -89.2944 14.3862 -12.0157 223.601 PRESSAVG: 582600 61.1413 -68.4749 -43.0671 -68.4749 -71.1668 7.52881 -43.0672 7.52874 -22.9351 GPRESSAVG: 582600 61.0814 -67.0192 -42.679 -70.3728 -69.7723 5.77929 -41.1271 5.77267 -24.0551 TIMING: 582600 CPU: 1841.52, 0.00314618/step Wall: 1841.52, 0.00314618/step, 3.86054 hours remaining, 233.695312 MB of memory in use. ENERGY: 582600 3968.9873 20522.9493 14488.1219 243.4156 -203178.5448 2318.0618 0.0000 0.0000 51960.6756 -109676.3333 298.6187 -161637.0089 -109313.2924 298.2398 -134.3634 -106.1523 761633.9575 -10.9868 -10.9153 PRESSURE: 582800 -226.357 -183.641 184.36 -183.641 -307.243 -36.5307 184.36 -36.5308 -539.133 GPRESSURE: 582800 -190.117 -179.613 132.954 -110.18 -328.202 -35.2451 157.454 32.2512 -458.375 PRESSAVG: 582800 33.8101 -33.4566 -12.2013 -33.4565 -17.844 -26.7149 -12.2013 -26.715 -4.85544 GPRESSAVG: 582800 33.8418 -34.8983 -12.8326 -32.0794 -18.397 -26.1721 -12.474 -26.2536 -3.48836 TIMING: 582800 CPU: 1842.15, 0.00317495/step Wall: 1842.15, 0.00317495/step, 3.89567 hours remaining, 233.695312 MB of memory in use. ENERGY: 582800 4090.9779 20399.7496 14611.4909 223.0642 -203705.2703 2741.1543 0.0000 0.0000 51880.6995 -109758.1339 298.1591 -161638.8334 -109392.8392 298.6426 -357.5778 -325.5648 761578.6123 3.7035 3.9855 PRESSURE: 583000 618.091 -62.1504 -179.528 -62.1495 267.304 -52.6719 -179.528 -52.6732 426.939 GPRESSURE: 583000 551.882 -42.8744 -180.481 -79.5712 421.664 -125.497 -58.8489 -83.4153 429.031 PRESSAVG: 583000 30.7055 -25.9875 -7.41768 -25.9875 4.908 -27.8953 -7.41771 -27.8953 5.11799 GPRESSAVG: 583000 28.7445 -24.0905 -8.02866 -26.6488 6.43224 -27.0494 -6.8321 -30.0409 5.20447 TIMING: 583000 CPU: 1842.79, 0.00317783/step Wall: 1842.79, 0.00317783/step, 3.89902 hours remaining, 233.695312 MB of memory in use. ENERGY: 583000 3901.5461 20484.0439 14453.4825 239.3686 -203709.1316 2994.8766 0.0000 0.0000 52029.8217 -109605.9921 299.0161 -161635.8139 -109241.5087 298.2893 437.4448 467.5256 760736.0281 13.5772 13.4604 PRESSURE: 583200 -86.3083 253.588 245.839 253.587 18.6563 236.139 245.84 236.14 -373.54 GPRESSURE: 583200 -62.7882 162.605 307.478 235.114 46.1455 187.341 160.869 465.696 -331.576 PRESSAVG: 583200 11.4447 -6.37471 40.0177 -6.37465 8.6481 -8.60485 40.0178 -8.60484 11.3384 GPRESSAVG: 583200 12.0488 -6.13337 41.7658 -7.3229 9.13763 -8.91341 39.3846 -9.10052 10.0842 TIMING: 583200 CPU: 1843.42, 0.00317482/step Wall: 1843.42, 0.00317482/step, 3.89515 hours remaining, 233.695312 MB of memory in use. ENERGY: 583200 3960.1966 20473.4889 14511.1005 253.1341 -203473.5225 2473.6303 0.0000 0.0000 52058.8789 -109743.0932 299.1831 -161801.9721 -109385.2779 298.3425 -147.0639 -116.0730 761435.0773 10.4771 10.4235 PRESSURE: 583400 -59.0049 -129.795 21.7281 -129.795 -125.35 -124.198 21.7275 -124.197 121.09 GPRESSURE: 583400 -86.6862 -34.1138 -23.8324 -128.765 -120.401 -137.004 84.1966 -10.7876 205.913 PRESSAVG: 583400 7.06157 -18.2618 17.716 -18.2618 -7.46898 -12.3726 17.716 -12.3727 7.49402 GPRESSAVG: 583400 7.09544 -18.2178 18.2818 -16.9635 -8.63716 -12.3183 16.5261 -10.8906 7.80406 TIMING: 583400 CPU: 1844.05, 0.00316187/step Wall: 1844.05, 0.00316187/step, 3.87909 hours remaining, 233.695312 MB of memory in use. ENERGY: 583400 3969.6034 20723.1336 14580.3532 248.2892 -203694.3105 2745.1897 0.0000 0.0000 51764.7619 -109662.9794 297.4928 -161427.7414 -109302.6441 298.7407 -21.0881 -0.3913 761782.4636 2.3622 2.0874 PRESSURE: 583600 -60.08 0.0762328 15.2028 0.0766671 10.4524 -112.267 15.2029 -112.267 470.813 GPRESSURE: 583600 -86.0681 -74.5825 -24.8151 -31.5771 193.324 -163.585 -37.5683 -103.763 388.555 PRESSAVG: 583600 -87.7297 -44.4613 -16.152 -44.4614 47.1995 -5.60617 -16.152 -5.60612 -18.5811 GPRESSAVG: 583600 -87.8994 -46.6906 -16.7066 -42.8267 46.9145 -5.55 -15.4305 -6.42444 -17.9482 TIMING: 583600 CPU: 1844.69, 0.0031605/step Wall: 1844.69, 0.0031605/step, 3.87724 hours remaining, 233.695312 MB of memory in use. ENERGY: 583600 4033.7384 20419.6953 14559.2930 239.4225 -203691.5694 2790.2339 0.0000 0.0000 52017.4543 -109631.7321 298.9450 -161649.1863 -109268.9849 298.1887 140.3952 165.2703 761990.8970 -19.7038 -19.6444 PRESSURE: 583800 271.571 -22.2883 -33.1169 -22.2878 5.68139 93.6684 -33.117 93.6689 -326.048 GPRESSURE: 583800 303.995 -36.3231 -99.4913 5.00118 -3.5318 90.1626 -32.5572 26.8174 -262.054 PRESSAVG: 583800 -9.06834 53.7731 -43.9509 53.7731 17.5407 -0.288531 -43.951 -0.288508 5.14284 GPRESSAVG: 583800 -8.17128 55.089 -45.6369 51.4257 17.6264 -1.28034 -43.4551 1.46749 4.89684 TIMING: 583800 CPU: 1845.32, 0.00314726/step Wall: 1845.32, 0.00314726/step, 3.86082 hours remaining, 233.695312 MB of memory in use. ENERGY: 583800 4060.6037 20566.3872 14549.5992 241.4425 -203748.0672 2892.3264 0.0000 0.0000 51997.2830 -109440.4251 298.8291 -161437.7081 -109093.9911 298.9015 -16.2649 12.8030 763161.4432 4.5384 4.7840 PRESSURE: 584000 398.242 87.5435 -106.753 87.5438 180.73 -127.033 -106.753 -127.032 -101.135 GPRESSURE: 584000 471.572 44.6311 -120.761 51.9056 161.86 -86.4742 38.2094 -186.961 -59.1986 PRESSAVG: 584000 27.0965 -16.5778 -5.19944 -16.5778 -14.0221 -35.8372 -5.1994 -35.8372 -8.13517 GPRESSAVG: 584000 28.0817 -15.0632 -4.26041 -18.4071 -14.8803 -35.9236 -4.91587 -37.3161 -8.33227 TIMING: 584000 CPU: 1845.94, 0.00312637/step Wall: 1845.94, 0.00312637/step, 3.83501 hours remaining, 233.695312 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: 584000 4013.6444 20431.2424 14548.8956 267.8599 -203581.8318 2738.3675 0.0000 0.0000 52180.3039 -109401.5181 299.8809 -161581.8220 -109038.9147 299.5037 159.2789 191.4112 761617.5384 1.6464 1.6231 PRESSURE: 584200 99.5842 58.4133 -4.57276 58.413 -102.973 -166.131 -4.57204 -166.13 -276.325 GPRESSURE: 584200 107.139 -130.985 41.4889 100.156 -81.3086 -77.6338 -70.3457 -175.869 -232.898 PRESSAVG: 584200 -13.8063 27.8976 -4.00689 27.8976 4.75647 -15.5529 -4.00688 -15.5529 9.91767 GPRESSAVG: 584200 -14.3985 27.3211 -4.54548 29.423 6.00959 -13.3192 -4.68069 -18.4694 9.41207 TIMING: 584200 CPU: 1846.57, 0.00314607/step Wall: 1846.57, 0.00314607/step, 3.859 hours remaining, 233.695312 MB of memory in use. ENERGY: 584200 3962.6694 20567.8082 14491.4805 249.9942 -203737.4434 3032.2728 0.0000 0.0000 52061.2855 -109371.9328 299.1969 -161433.2183 -109019.1943 299.5558 -93.2380 -69.0224 763951.1899 0.2893 0.3410 LDB: ============= START OF LOAD BALANCING ============== 1859.1 LDB: ============== END OF LOAD BALANCING =============== 1859.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1859.11 LDB: ============= START OF LOAD BALANCING ============== 1859.42 LDB: Largest compute 7058 load 0.031758 is 16.3% of average load 0.195152 LDB: Average compute 0.004392 is 2.3% of average load 0.195152 LDB: TIME 1859.43 LOAD: AVG 0.195152 MAX 0.213824 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 1859.43 LOAD: AVG 0.195152 MAX 0.213824 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.129 MB LDB: TIME 1859.43 LOAD: AVG 0.195152 MAX 0.213824 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.129 MB LDB: ============== END OF LOAD BALANCING =============== 1859.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1859.44 PRESSURE: 584400 117.645 74.9626 -90.799 74.9634 -62.3988 49.4662 -90.7992 49.4662 -106.476 GPRESSURE: 584400 141.907 98.1069 -75.2256 28.4763 -24.9297 103.75 -50.2702 150.001 -81.1582 PRESSAVG: 584400 -4.2555 25.4593 -3.98778 25.4594 0.188077 -24.9586 -3.98778 -24.9586 12.7656 GPRESSAVG: 584400 -3.89732 24.7056 -4.16241 25.2417 0.110808 -26.5399 -3.79705 -20.3023 12.7248 TIMING: 584400 CPU: 1847.22, 0.00324001/step Wall: 1847.22, 0.00324001/step, 3.97406 hours remaining, 232.867188 MB of memory in use. ENERGY: 584400 3948.1394 20414.9485 14598.9871 262.7665 -203546.4719 2859.0103 0.0000 0.0000 52195.2689 -109267.3511 299.9669 -161462.6200 -108897.1454 299.5379 -17.0765 11.9396 762957.7325 2.8994 2.9794 PRESSURE: 584600 288.319 31.2648 -235.95 31.2653 414.432 -30.6298 -235.949 -30.6308 -297.325 GPRESSURE: 584600 304.558 -87.1233 -231.972 -88.9992 403.383 -65.4207 -299.146 55.4171 -233.299 PRESSAVG: 584600 11.6337 24.9453 -29.4769 24.9454 3.78618 -33.3077 -29.477 -33.3077 -17.0873 GPRESSAVG: 584600 12.0966 25.2379 -28.2541 24.351 2.91952 -33.3467 -30.4519 -35.1634 -16.4528 TIMING: 584600 CPU: 1847.86, 0.00321558/step Wall: 1847.86, 0.00321558/step, 3.94391 hours remaining, 233.070312 MB of memory in use. ENERGY: 584600 3918.5988 20553.0238 14477.9065 238.9363 -203812.1522 3182.0664 0.0000 0.0000 52066.4759 -109375.1446 299.2268 -161441.6205 -109012.1927 299.2129 135.1418 158.2141 762371.0538 -0.5558 -0.4789 PRESSURE: 584800 349.67 146.507 125.424 146.507 56.0641 -140.055 125.424 -140.056 25.6672 GPRESSURE: 584800 329.925 36.9763 99.1867 144.664 123.131 -81.9458 -161.578 -181.86 77.7715 PRESSAVG: 584800 44.4659 -8.83743 -0.788176 -8.83742 -39.8097 -25.147 -0.788188 -25.1471 16.7641 GPRESSAVG: 584800 44.3755 -8.53691 -1.8267 -9.95812 -39.546 -25.1907 -0.752299 -25.6179 16.2737 TIMING: 584800 CPU: 1848.5, 0.00317487/step Wall: 1848.5, 0.00317487/step, 3.8938 hours remaining, 233.070312 MB of memory in use. ENERGY: 584800 3915.3435 20525.4993 14544.8528 269.7912 -202923.4453 2566.1306 0.0000 0.0000 52103.7140 -108998.1139 299.4408 -161101.8279 -108625.6111 298.7705 143.8003 176.9425 763104.0981 7.1401 7.0344 PRESSURE: 585000 -216.672 11.1544 193.898 11.1539 -233.299 224.147 193.899 224.146 26.5203 GPRESSURE: 585000 -152.591 55.6533 125.457 -26.378 -251.249 290.739 2.75637 117.041 54.3208 PRESSAVG: 585000 38.227 -57.9035 9.40358 -57.9035 -42.327 32.6616 9.40355 32.6616 7.98644 GPRESSAVG: 585000 37.77 -57.1828 11.4615 -56.8778 -42.4526 31.8752 9.38655 31.1412 8.59519 TIMING: 585000 CPU: 1849.13, 0.00317674/step Wall: 1849.13, 0.00317674/step, 3.89591 hours remaining, 233.070312 MB of memory in use. ENERGY: 585000 3995.6799 20484.8623 14595.4936 253.6948 -203007.4717 2511.5106 0.0000 0.0000 52123.0042 -109043.2264 299.5516 -161166.2306 -108698.0397 299.4374 -141.1502 -116.5065 762425.8253 1.2955 1.3042 PRESSURE: 585200 -118.38 -72.9895 -93.0855 -72.9883 300.943 -111.898 -93.0852 -111.898 302.484 GPRESSURE: 585200 -10.6977 -122.901 -93.9199 -100.499 211.133 -166.434 -18.595 -158.314 349.221 PRESSAVG: 585200 -19.7439 -64.5208 4.48872 -64.5208 1.0764 -11.3971 4.4887 -11.3972 -7.7617 GPRESSAVG: 585200 -20.0877 -61.677 2.91984 -64.3947 1.26747 -10.2072 5.88766 -9.71765 -8.17461 TIMING: 585200 CPU: 1849.77, 0.00319574/step Wall: 1849.77, 0.00319574/step, 3.91904 hours remaining, 233.070312 MB of memory in use. ENERGY: 585200 3969.2855 20467.1791 14584.4754 242.9553 -202721.8089 2360.8074 0.0000 0.0000 52194.8364 -108902.2697 299.9644 -161097.1061 -108541.7412 299.6858 161.6822 183.2185 761711.0717 -8.8097 -8.9983 PRESSURE: 585400 -107.356 232.088 5.16886 232.088 79.3507 -181.214 5.16942 -181.214 369.484 GPRESSURE: 585400 8.44695 203.123 80.8263 236.94 78.2717 -112.259 -54.0667 -177.042 335.062 PRESSAVG: 585400 -68.0366 -0.805582 -21.2766 -0.805549 50.3081 -3.23145 -21.2766 -3.23147 15.1992 GPRESSAVG: 585400 -67.9995 -3.94181 -21.8213 0.403075 50.0924 -4.38634 -22.4034 -3.18316 15.5124 TIMING: 585400 CPU: 1850.41, 0.00318443/step Wall: 1850.41, 0.00318443/step, 3.905 hours remaining, 233.070312 MB of memory in use. ENERGY: 585400 3945.4672 20305.0942 14543.8667 240.1681 -202898.4891 2577.7125 0.0000 0.0000 52272.2410 -109013.9394 300.4093 -161286.1804 -108651.5360 299.8649 113.8264 140.5937 762759.7752 -0.8431 -0.7982 PRESSURE: 585600 -222 -22.6104 -261.639 -22.6108 36.6004 57.0925 -261.638 57.0925 -9.06586 GPRESSURE: 585600 -87.0246 -101.11 -353.07 -23.8195 58.5606 87.3006 -84.1146 29.5311 -88.0606 PRESSAVG: 585600 3.87707 8.5659 25.2385 8.56594 22.8109 -22.7319 25.2385 -22.7318 22.2395 GPRESSAVG: 585600 5.29317 7.59223 26.1153 7.45038 23.683 -23.2522 27.7046 -22.0283 20.3241 TIMING: 585600 CPU: 1851.04, 0.00316835/step Wall: 1851.04, 0.00316835/step, 3.8851 hours remaining, 233.070312 MB of memory in use. ENERGY: 585600 3929.9636 20537.4164 14601.7035 276.8555 -203252.3028 2846.5412 0.0000 0.0000 52116.9837 -108942.8389 299.5170 -161059.8226 -108573.9875 300.1646 -64.8219 -38.8415 762541.1389 16.3091 16.4334 PRESSURE: 585800 -68.8892 -339.034 274.192 -339.035 49.8426 232.111 274.192 232.111 117.804 GPRESSURE: 585800 -38.5739 -182.835 167.626 -359.422 164.507 224.23 108.674 369.007 84.6679 PRESSAVG: 585800 -48.7847 -31.0444 -39.635 -31.0445 63.5228 1.33212 -39.635 1.33214 -9.02466 GPRESSAVG: 585800 -50.1011 -30.2106 -40.2105 -30.8704 63.0715 3.63659 -41.0639 -0.0366009 -7.26233 TIMING: 585800 CPU: 1851.67, 0.00315924/step Wall: 1851.67, 0.00315924/step, 3.87376 hours remaining, 233.070312 MB of memory in use. ENERGY: 585800 4021.1748 20336.7963 14559.6833 270.2546 -203239.5330 2938.4286 0.0000 0.0000 52003.5203 -109109.6752 298.8649 -161113.1955 -108755.8702 299.5923 32.9191 70.2004 761345.8903 1.9045 1.9027 PRESSURE: 586000 20.8359 115.475 88.8839 115.475 122.764 -259.057 88.8834 -259.057 377.296 GPRESSURE: 586000 19.3751 94.5849 87.1548 63.5476 129.981 -209.361 98.5784 -302.602 468.663 PRESSAVG: 586000 42.2239 -3.34928 -11.5005 -3.3493 10.2306 13.6143 -11.5004 13.6144 18.9487 GPRESSAVG: 586000 41.3212 -4.2726 -11.1508 -2.60276 10.7012 13.3075 -11.8419 14.4475 18.8425 TIMING: 586000 CPU: 1852.31, 0.00317687/step Wall: 1852.31, 0.00317687/step, 3.89519 hours remaining, 233.070312 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: 586000 3881.9289 20483.8912 14559.7667 244.6213 -203021.1075 2626.8001 0.0000 0.0000 51983.3304 -109240.7688 298.7489 -161224.0993 -108880.4780 299.6181 173.6321 206.0064 763055.4318 23.8011 23.6216 PRESSURE: 586200 174.141 166.288 133.082 166.287 277.321 178.885 133.083 178.884 -33.0729 GPRESSURE: 586200 238.62 53.7669 162.818 197.375 291.282 195.527 54.2326 111.154 -33.533 PRESSAVG: 586200 -32.8739 -64.7089 -38.4867 -64.7089 78.8018 -10.4324 -38.4866 -10.4324 3.7236 GPRESSAVG: 586200 -31.7065 -63.7791 -38.084 -65.6457 76.7936 -11.8698 -38.0088 -9.55525 4.18907 TIMING: 586200 CPU: 1852.94, 0.00313907/step Wall: 1852.94, 0.00313907/step, 3.84868 hours remaining, 233.070312 MB of memory in use. ENERGY: 586200 4012.8269 20617.5545 14514.8727 252.5742 -203437.1605 2886.6861 0.0000 0.0000 51944.0201 -109208.6260 298.5230 -161152.6461 -108860.7737 299.4433 139.4630 165.4562 761265.9050 16.5505 16.4254 PRESSURE: 586400 -40.0324 349.234 -122.797 349.234 -327.021 42.1597 -122.796 42.1602 -482.128 GPRESSURE: 586400 -43.9036 256.878 -129.107 375.016 -398.341 82.3935 -70.052 169.632 -314.687 PRESSAVG: 586400 -37.0561 48.7673 -32.3382 48.7673 19.0128 -1.95832 -32.3382 -1.95831 -6.41649 GPRESSAVG: 586400 -37.2315 47.0465 -32.5378 49.9649 20.5148 -0.245875 -33.1884 -3.94457 -7.88545 TIMING: 586400 CPU: 1853.57, 0.00317659/step Wall: 1853.57, 0.00317659/step, 3.8945 hours remaining, 233.070312 MB of memory in use. ENERGY: 586400 4024.5577 20471.0942 14549.9109 253.9749 -202872.6439 2436.5517 0.0000 0.0000 52032.1405 -109104.4141 299.0294 -161136.5546 -108749.1859 299.6381 -283.0605 -252.3104 762379.0015 -8.1533 -8.2007 PRESSURE: 586600 321.764 56.8101 -112.884 56.8111 -202.279 -159.581 -112.884 -159.58 115.044 GPRESSURE: 586600 310.455 86.6387 -59.5645 23.9234 -162.123 -208.546 -152.374 -58.6418 178.697 PRESSAVG: 586600 -27.8087 -50.5828 54.2629 -50.5827 37.4363 11.2471 54.2629 11.2472 27.9094 GPRESSAVG: 586600 -28.2149 -48.3178 56.1132 -50.5372 38.0504 9.87415 55.4599 12.5577 27.2989 TIMING: 586600 CPU: 1854.21, 0.00317773/step Wall: 1854.21, 0.00317773/step, 3.89572 hours remaining, 233.070312 MB of memory in use. ENERGY: 586600 3956.8642 20375.2165 14594.7177 244.7627 -203070.8753 2679.6963 0.0000 0.0000 51955.5055 -109264.1124 298.5890 -161219.6178 -108903.7493 299.4990 78.1761 109.0098 761569.2073 12.5123 12.3781 PRESSURE: 586800 391.039 -161.369 -26.2457 -161.368 157.505 -55.5639 -26.2456 -55.5634 292.285 GPRESSURE: 586800 463.814 -211.633 37.1924 18.9053 172.268 -93.5608 -96.5608 -18.5458 300.399 PRESSAVG: 586800 -14.383 -52.3551 0.743476 -52.3551 28.9352 -43.0968 0.743442 -43.0968 -21.7393 GPRESSAVG: 586800 -14.3996 -53.1636 -0.116275 -50.8605 28.2618 -45.2485 -0.106141 -42.8177 -21.0759 TIMING: 586800 CPU: 1854.85, 0.00320029/step Wall: 1854.85, 0.00320029/step, 3.9232 hours remaining, 233.070312 MB of memory in use. ENERGY: 586800 4022.1319 20443.3351 14523.3391 245.1187 -203232.0600 2730.4077 0.0000 0.0000 51900.6724 -109367.0552 298.2739 -161267.7276 -109008.9216 298.8716 280.2762 312.1601 761292.8538 -2.3957 -2.4046 PRESSURE: 587000 -119.129 3.35087 188.632 3.35083 94.4816 -63.6636 188.633 -63.6646 -357.499 GPRESSURE: 587000 -9.88774 -48.5826 113.047 -30.5678 36.7486 -61.8322 162.75 -4.96299 -322.077 PRESSAVG: 587000 -0.475336 -15.8803 -4.42853 -15.8803 -16.3254 -48.9446 -4.42843 -48.9445 -0.293139 GPRESSAVG: 587000 1.21981 -15.5503 -4.38079 -19.164 -17.7704 -47.5695 -2.61663 -48.4266 -0.490435 TIMING: 587000 CPU: 1855.49, 0.00320042/step Wall: 1855.49, 0.00320042/step, 3.92318 hours remaining, 233.070312 MB of memory in use. ENERGY: 587000 3958.8363 20423.7468 14442.9916 267.7138 -202965.4795 2462.4834 0.0000 0.0000 51783.0412 -109626.6665 297.5978 -161409.7076 -109279.0264 298.1819 -127.3822 -98.4055 759970.2203 -5.6980 -5.6803 PRESSURE: 587200 -388.384 80.4199 -28.9722 80.4197 13.7999 40.6585 -28.9718 40.6596 -508.683 GPRESSURE: 587200 -272.712 163.93 1.40901 123.595 -16.0842 74.4908 -34.4748 81.8123 -506.098 PRESSAVG: 587200 -14.995 -56.5994 1.59957 -56.5994 8.84514 -29.3136 1.59959 -29.3137 10.6305 GPRESSAVG: 587200 -17.1018 -56.8138 1.52702 -56.5579 9.47016 -28.6656 0.321525 -29.7121 11.8022 TIMING: 587200 CPU: 1856.13, 0.00319127/step Wall: 1856.13, 0.00319127/step, 3.91179 hours remaining, 233.070312 MB of memory in use. ENERGY: 587200 4003.1675 20375.1839 14563.3492 239.1103 -203094.9540 2269.1756 0.0000 0.0000 51880.8066 -109764.1610 298.1597 -161644.9676 -109407.2907 298.5098 -294.4222 -264.9645 760738.3719 1.4935 1.3902 PRESSURE: 587400 135.503 -24.9586 186.49 -24.9596 81.1615 28.6329 186.488 28.6336 191.778 GPRESSURE: 587400 156.654 162.246 119.899 -101.316 178.673 75.3569 285.325 19.2534 163.549 PRESSAVG: 587400 -31.8438 -12.0327 -28.0761 -12.0327 20.7116 4.9247 -28.0761 4.92468 9.17864 GPRESSAVG: 587400 -31.2116 -11.1478 -28.1201 -9.78498 20.6811 4.48817 -28.4408 3.02623 9.108 TIMING: 587400 CPU: 1856.76, 0.00315195/step Wall: 1856.76, 0.00315195/step, 3.86342 hours remaining, 233.070312 MB of memory in use. ENERGY: 587400 3910.9976 20425.7582 14504.7689 242.3638 -203303.0762 2483.5818 0.0000 0.0000 51964.6400 -109770.9659 298.6415 -161735.6059 -109411.9255 297.9673 136.1476 166.2916 759672.3623 -0.6512 -0.4742 PRESSURE: 587600 -80.1849 27.8652 155.897 27.865 -159.379 223.967 155.897 223.966 -189.119 GPRESSURE: 587600 -26.4568 19.3897 211.047 50.5598 -120.545 184.568 271.135 312.434 -204.037 PRESSAVG: 587600 27.6017 -51.661 45.8107 -51.661 -18.119 3.43656 45.8108 3.43657 -15.1333 GPRESSAVG: 587600 28.2979 -52.8775 43.9761 -52.7098 -19.2614 5.41653 47.7566 4.90807 -14.4491 TIMING: 587600 CPU: 1857.39, 0.003159/step Wall: 1857.39, 0.003159/step, 3.87188 hours remaining, 233.070312 MB of memory in use. ENERGY: 587600 3919.0458 20326.3049 14545.3183 257.5356 -203301.9659 2556.2355 0.0000 0.0000 51962.1252 -109735.4007 298.6270 -161697.5260 -109370.4360 298.0016 -142.8944 -117.0130 761511.0652 -1.8835 -1.8042 PRESSURE: 587800 310.249 -89.8384 -176.955 -89.8393 -290.53 -259.606 -176.955 -259.606 95.7183 GPRESSURE: 587800 249.692 -177.226 -78.3418 -152.523 -120.212 -236.445 -40.0801 -230.015 63.852 PRESSAVG: 587800 -14.1437 -3.44123 6.68973 -3.44126 21.3196 4.04482 6.68974 4.04483 9.8441 GPRESSAVG: 587800 -14.2294 -2.53684 6.73599 -4.51996 21.7199 2.81088 6.27987 4.27884 9.78382 TIMING: 587800 CPU: 1858.03, 0.00318938/step Wall: 1858.03, 0.00318938/step, 3.90894 hours remaining, 233.070312 MB of memory in use. ENERGY: 587800 3993.9784 20433.1296 14517.5477 237.8660 -203520.8861 2816.6707 0.0000 0.0000 51657.0349 -109864.6589 296.8737 -161521.6938 -109499.1780 297.7497 38.4788 64.4441 761068.0990 5.6733 5.7581 PRESSURE: 588000 -27.4949 97.6999 46.3605 97.7005 -78.1907 -46.3789 46.3602 -46.3784 -319.658 GPRESSURE: 588000 17.3257 203.87 -35.8523 75.0195 -69.88 -0.371983 5.0798 -73.8645 -292.54 PRESSAVG: 588000 -22.9258 -6.24792 -16.8458 -6.24793 3.42688 -21.4635 -16.8459 -21.4635 -7.02455 GPRESSAVG: 588000 -21.3198 -8.73623 -15.7767 -5.77492 3.3506 -22.2699 -17.569 -19.9447 -8.43409 TIMING: 588000 CPU: 1858.66, 0.00315656/step Wall: 1858.66, 0.00315656/step, 3.86854 hours remaining, 233.070312 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: 588000 3967.5564 20372.9644 14435.0931 252.7430 -203636.8014 2768.9431 0.0000 0.0000 52095.6672 -109743.8341 299.3945 -161839.5013 -109380.1894 297.6089 -141.7811 -115.0315 761811.3270 -8.8411 -8.8011 PRESSURE: 588200 129.219 44.4666 -68.1182 44.467 59.1741 -80.1333 -68.1172 -80.1334 287.544 GPRESSURE: 588200 151.966 63.015 4.17242 57.0709 85.9329 -52.7339 -16.6372 -134.357 318.528 PRESSAVG: 588200 13.9839 -7.96402 21.616 -7.964 18.1283 -0.485371 21.6159 -0.485341 -9.71135 GPRESSAVG: 588200 12.9462 -5.30079 22.2824 -7.99299 18.3605 -0.445576 20.8731 -0.860392 -8.49811 TIMING: 588200 CPU: 1859.29, 0.00317377/step Wall: 1859.29, 0.00317377/step, 3.88946 hours remaining, 233.070312 MB of memory in use. ENERGY: 588200 4012.2404 20420.4652 14554.3081 235.2085 -203422.2005 2635.2445 0.0000 0.0000 51785.2699 -109779.4640 297.6107 -161564.7339 -109423.1758 298.1188 158.6458 185.4756 762205.9897 7.4670 7.6029 LDB: ============= START OF LOAD BALANCING ============== 1871.82 LDB: ============== END OF LOAD BALANCING =============== 1871.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1871.83 LDB: ============= START OF LOAD BALANCING ============== 1872.14 LDB: Largest compute 7050 load 0.031770 is 16.3% of average load 0.195150 LDB: Average compute 0.004378 is 2.2% of average load 0.195150 LDB: TIME 1872.15 LOAD: AVG 0.19515 MAX 0.213483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 1872.15 LOAD: AVG 0.19515 MAX 0.213483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.609 MB LDB: TIME 1872.15 LOAD: AVG 0.19515 MAX 0.213483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.609 MB LDB: ============== END OF LOAD BALANCING =============== 1872.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1872.15 PRESSURE: 588400 248.616 92.8066 -177.311 92.807 -164.649 55.7998 -177.312 55.8005 192.782 GPRESSURE: 588400 291.811 96.4687 -132.784 -44.2341 -128.397 -79.0175 -246.026 46.0621 196.551 PRESSAVG: 588400 14.0604 -13.4056 1.4899 -13.4055 -39.1961 -4.57368 1.49002 -4.57369 -3.86403 GPRESSAVG: 588400 12.608 -13.5639 -0.484502 -13.5387 -37.8707 -4.90062 2.08766 -4.36102 -3.94893 TIMING: 588400 CPU: 1859.94, 0.00321534/step Wall: 1859.94, 0.00321534/step, 3.94022 hours remaining, 234.339844 MB of memory in use. ENERGY: 588400 3911.1304 20341.2236 14516.0146 243.7160 -203334.8313 2781.6765 0.0000 0.0000 51914.7128 -109626.3575 298.3546 -161541.0703 -109255.2128 298.0422 92.2501 119.9883 760794.7840 -9.6666 -9.7372 PRESSURE: 588600 212.386 142.884 159.873 142.884 -92.2861 -8.0707 159.874 -8.0706 159.916 GPRESSURE: 588600 218.406 125.734 194.85 -27.0848 -17.055 13.5999 193.576 -24.5473 147.545 PRESSAVG: 588600 6.01802 -9.68217 31.0158 -9.68212 21.858 -17.6865 31.0158 -17.6866 -0.0684976 GPRESSAVG: 588600 6.31767 -9.02961 33.8329 -11.5025 21.1871 -16.9555 29.2339 -18.4429 0.654583 TIMING: 588600 CPU: 1860.57, 0.00315737/step Wall: 1860.57, 0.00315737/step, 3.86901 hours remaining, 234.339844 MB of memory in use. ENERGY: 588600 3965.3415 20522.7491 14605.1084 262.4090 -203623.0894 2822.1996 0.0000 0.0000 51909.5057 -109535.7762 298.3246 -161445.2819 -109179.3050 298.7359 93.3385 116.2988 761033.6999 9.2692 9.3865 PRESSURE: 588800 30.5369 49.8248 29.994 49.8248 335.412 49.0459 29.9935 49.0469 273.71 GPRESSURE: 588800 106.043 34.4055 23.7551 12.6981 277.681 75.9043 -73.8059 107.849 329.187 PRESSAVG: 588800 -34.4811 -9.05517 73.4374 -9.05514 35.3748 -51.3166 73.4374 -51.3166 -5.9688 GPRESSAVG: 588800 -34.7111 -11.3366 72.6235 -7.41872 34.9329 -50.5879 74.224 -50.2449 -5.20299 TIMING: 588800 CPU: 1861.21, 0.00321129/step Wall: 1861.21, 0.00321129/step, 3.9349 hours remaining, 234.339844 MB of memory in use. ENERGY: 588800 3968.7423 20415.5376 14549.2762 236.0868 -203179.0922 2592.4657 0.0000 0.0000 51813.3753 -109603.6083 297.7722 -161416.9836 -109232.1248 298.1523 213.2196 237.6369 764138.9484 -1.6917 -1.6604 PRESSURE: 589000 116.66 -236.386 182.104 -236.385 220.878 116.308 182.104 116.306 6.77235 GPRESSURE: 589000 74.2335 -148.38 70.1257 -120.442 308.483 110.965 182.331 101.343 53.4226 PRESSAVG: 589000 8.12484 -34.5776 29.2496 -34.5776 8.24925 -4.79728 29.2496 -4.79729 -13.6109 GPRESSAVG: 589000 9.87308 -33.094 26.321 -35.0572 7.71512 -4.90321 29.9042 -6.41031 -14.3305 TIMING: 589000 CPU: 1861.85, 0.00320227/step Wall: 1861.85, 0.00320227/step, 3.92367 hours remaining, 234.339844 MB of memory in use. ENERGY: 589000 4026.7069 20437.0061 14451.9750 254.6828 -203468.2011 2805.4920 0.0000 0.0000 51885.8383 -109606.5000 298.1886 -161492.3383 -109250.5865 298.2008 114.7701 145.3797 763057.9146 0.9211 1.0859 PRESSURE: 589200 -232.373 -116.399 -127.729 -116.4 373.489 -76.8524 -127.729 -76.852 93.4599 GPRESSURE: 589200 -170.247 15.9498 -135.526 -241.276 385.285 -26.9486 -133.298 -24.0379 106.979 PRESSAVG: 589200 -27.8999 -51.1204 -25.2844 -51.1204 65.649 70.7764 -25.2844 70.7762 -9.51255 GPRESSAVG: 589200 -29.65 -50.1679 -24.3433 -51.5831 67.0016 69.5176 -24.5281 71.0201 -9.00495 TIMING: 589200 CPU: 1862.48, 0.00317695/step Wall: 1862.48, 0.00317695/step, 3.89247 hours remaining, 234.339844 MB of memory in use. ENERGY: 589200 4016.1892 20503.4031 14416.8733 239.8395 -203546.6474 2919.3469 0.0000 0.0000 51987.3524 -109463.6431 298.7720 -161450.9955 -109106.5298 298.8547 78.1919 107.3389 762572.2143 9.4122 9.4489 PRESSURE: 589400 250.698 -17.8161 60.5404 -17.8166 6.03484 -269.545 60.5408 -269.545 154.382 GPRESSURE: 589400 277.301 -30.6801 110.151 -71.584 -31.9673 -191.96 -26.6353 -150.428 227.858 PRESSAVG: 589400 -78.3335 8.05125 -3.57156 8.05133 63.848 13.3819 -3.5715 13.3819 11.81 GPRESSAVG: 589400 -78.514 6.85222 -2.03996 9.6431 65.0965 13.7839 -4.50865 13.5139 11.2193 TIMING: 589400 CPU: 1863.12, 0.00317687/step Wall: 1863.12, 0.00317687/step, 3.8922 hours remaining, 234.339844 MB of memory in use. ENERGY: 589400 3998.1442 20459.6371 14518.6178 253.7941 -203344.9010 2656.0733 0.0000 0.0000 51992.3892 -109466.2453 298.8010 -161458.6345 -109097.0154 298.9597 137.0382 157.7307 763242.5120 -0.8918 -0.7327 PRESSURE: 589600 289.353 135.643 -52.1673 135.642 289.604 -74.4719 -52.1682 -74.472 25.3658 GPRESSURE: 589600 274.843 112.395 -28.0105 95.502 325.9 -119.041 -95.8841 -193.803 96.0973 PRESSAVG: 589600 6.65107 9.15989 -12.6209 9.15996 12.658 10.6733 -12.6209 10.6733 2.78159 GPRESSAVG: 589600 7.89077 9.06378 -13.1082 10.6787 11.6425 10.0417 -11.9547 10.3167 2.51948 TIMING: 589600 CPU: 1863.75, 0.0031354/step Wall: 1863.75, 0.0031354/step, 3.84121 hours remaining, 234.339844 MB of memory in use. ENERGY: 589600 4080.7220 20337.2708 14513.2459 255.7529 -203532.4203 2823.7677 0.0000 0.0000 52170.4878 -109351.1733 299.8245 -161521.6611 -108993.3578 298.8920 201.4410 232.2801 763601.9145 7.3635 7.3509 PRESSURE: 589800 -254.026 170.422 26.3847 170.422 -7.56036 -12.7174 26.3838 -12.7163 -269.506 GPRESSURE: 589800 -121.714 50.2282 40.4385 296.366 -66.7924 19.1125 149.305 -44.957 -234.958 PRESSAVG: 589800 -43.4016 10.9166 -26.8549 10.9166 -0.0715122 39.3853 -26.8549 39.3854 3.3518 GPRESSAVG: 589800 -42.9468 11.6408 -27.4065 7.81637 -0.511353 39.7116 -27.4409 38.8626 3.36891 TIMING: 589800 CPU: 1864.38, 0.00314364/step Wall: 1864.38, 0.00314364/step, 3.85113 hours remaining, 234.339844 MB of memory in use. ENERGY: 589800 4041.3125 20376.5048 14573.0888 227.9899 -202866.6899 2448.1503 0.0000 0.0000 51839.9637 -109359.6799 297.9250 -161199.6436 -108995.1158 299.2768 -177.0308 -141.1550 764041.8768 -13.3738 -13.3631 PRESSURE: 590000 125.198 172.152 -99.2745 172.151 -212.256 24.9046 -99.2749 24.9043 -14.7874 GPRESSURE: 590000 171.713 121.33 -17.8065 161.015 -164.092 86.7355 -111.706 -115.334 -44.0612 PRESSAVG: 590000 41.3022 -27.8694 -18.1845 -27.8695 5.13391 0.379614 -18.1845 0.379667 10.8367 GPRESSAVG: 590000 41.0644 -28.1314 -17.1565 -25.7902 5.36629 0.392756 -18.3082 1.25575 10.5751 TIMING: 590000 CPU: 1865, 0.00313102/step Wall: 1865, 0.00313102/step, 3.8355 hours remaining, 234.339844 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: 590000 3938.8824 20393.7516 14535.7188 239.0741 -203283.3218 2802.4360 0.0000 0.0000 52126.3052 -109247.1537 299.5706 -161373.4589 -108877.8676 298.9433 -33.9487 -12.1469 763143.3637 19.0909 19.0019 PRESSURE: 590200 119.617 13.1091 -36.1288 13.1098 -250.192 -66.6815 -36.1279 -66.6815 -245.879 GPRESSURE: 590200 78.7574 69.7101 7.63323 -146.224 -198.63 -95.8728 -1.12287 -53.6905 -172.13 PRESSAVG: 590200 -21.2381 -35.0074 -12.5294 -35.0074 4.18519 42.2513 -12.5295 42.2513 27.0754 GPRESSAVG: 590200 -22.6088 -35.2994 -13.4508 -35.88 5.38233 41.8499 -12.4098 43.0206 27.7324 TIMING: 590200 CPU: 1865.63, 0.00315809/step Wall: 1865.63, 0.00315809/step, 3.86849 hours remaining, 234.339844 MB of memory in use. ENERGY: 590200 4032.8155 20493.9312 14537.9736 238.3579 -203363.2815 2688.3267 0.0000 0.0000 52005.1617 -109366.7150 298.8744 -161371.8766 -109015.9267 299.2260 -125.4849 -97.3343 763456.4118 3.3408 3.5020 PRESSURE: 590400 -12.7474 -43.1808 -26.9811 -43.1817 233.822 -191.933 -26.9811 -191.934 -241.842 GPRESSURE: 590400 139.407 -17.0343 -77.7859 38.5035 177.19 -221.863 -94.6192 -229.731 -253.905 PRESSAVG: 590400 9.17335 -30.2084 2.24594 -30.2084 -10.353 11.9103 2.24595 11.9102 -11.7598 GPRESSAVG: 590400 10.7602 -30.7478 1.84515 -31.2188 -11.6202 13.0639 2.62809 9.60696 -11.5755 TIMING: 590400 CPU: 1866.26, 0.00314345/step Wall: 1866.26, 0.00314344/step, 3.85037 hours remaining, 234.339844 MB of memory in use. ENERGY: 590400 4030.9191 20574.8886 14534.0923 237.2982 -203301.6321 2593.1199 0.0000 0.0000 51942.9786 -109388.3353 298.5170 -161331.3139 -109024.8888 299.1103 -6.9224 20.8974 761901.5689 -4.3131 -4.1452 PRESSURE: 590600 494.755 89.0654 24.3827 89.0649 89.3596 4.91187 24.3821 4.91374 -99.7483 GPRESSURE: 590600 511.918 80.2695 50.9854 -19.3556 164.931 -47.8217 -16.6308 -13.3915 -118.534 PRESSAVG: 590600 30.1065 20.2001 10.177 20.2001 -20.6317 28.1945 10.1771 28.1945 -27.945 GPRESSAVG: 590600 30.3912 20.1395 11.5937 20.8044 -20.6893 26.4898 9.65164 28.0695 -27.5762 TIMING: 590600 CPU: 1866.89, 0.00314275/step Wall: 1866.89, 0.00314275/step, 3.84934 hours remaining, 234.339844 MB of memory in use. ENERGY: 590600 3937.2459 20514.6359 14524.2875 252.2134 -203340.9763 2683.8157 0.0000 0.0000 52204.6981 -109224.0799 300.0211 -161428.7780 -108858.9705 299.2829 161.4556 186.1051 760618.4594 -6.1567 -5.9581 PRESSURE: 590800 -105.233 -113.246 -195.871 -113.247 132.628 200.061 -195.87 200.061 -292.546 GPRESSURE: 590800 -27.8055 -107.187 -155.372 -23.0134 106.551 208.699 -231.926 103.325 -261.767 PRESSAVG: 590800 48.1909 44.3911 -6.89389 44.3911 -93.1333 -13.7661 -6.89391 -13.766 10.04 GPRESSAVG: 590800 47.6646 46.7278 -6.63134 42.8822 -90.9203 -13.0687 -6.23506 -11.9384 8.38289 TIMING: 590800 CPU: 1867.52, 0.00313561/step Wall: 1867.52, 0.00313561/step, 3.84042 hours remaining, 234.339844 MB of memory in use. ENERGY: 590800 4033.9126 20440.8658 14534.2335 241.4972 -203226.5701 2730.9653 0.0000 0.0000 52167.5861 -109077.5095 299.8078 -161245.0956 -108723.6974 299.3234 -88.3839 -61.0071 762311.5607 -11.6341 -11.6243 PRESSURE: 591000 88.054 110.241 389.83 110.241 34.9842 -5.37109 389.83 -5.37134 110.364 GPRESSURE: 591000 71.945 129.488 354.526 150.52 134.943 -114.767 229.858 -77.3807 97.2853 PRESSAVG: 591000 36.8932 -22.7315 44.8748 -22.7315 26.2403 33.2996 44.8748 33.2996 -23.1427 GPRESSAVG: 591000 36.9963 -22.27 44.4121 -21.8459 24.8751 33.2636 44.5835 33.3954 -22.0115 TIMING: 591000 CPU: 1868.15, 0.00315503/step Wall: 1868.15, 0.00315503/step, 3.86404 hours remaining, 234.339844 MB of memory in use. ENERGY: 591000 3935.1097 20562.2970 14497.0195 248.0014 -203026.6461 2524.0317 0.0000 0.0000 52173.0677 -109087.1191 299.8393 -161260.1868 -108721.3583 299.6142 77.8006 101.3912 762218.0888 13.3303 13.2867 PRESSURE: 591200 116.371 62.2506 44.3958 62.2512 -127.962 39.3548 44.3958 39.3557 -253.405 GPRESSURE: 591200 72.6178 95.4263 67.2273 -5.96359 8.17691 -26.599 143.74 -39.1611 -250.033 PRESSAVG: 591200 -47.4329 16.3365 17.8705 16.3366 39.3792 -57.7177 17.8705 -57.7178 17.9481 GPRESSAVG: 591200 -47.6009 14.2734 17.171 14.5843 40.1984 -57.0077 19.6154 -59.078 17.3487 TIMING: 591200 CPU: 1868.78, 0.00315587/step Wall: 1868.78, 0.00315587/step, 3.86489 hours remaining, 234.339844 MB of memory in use. ENERGY: 591200 3960.3420 20529.4209 14528.2907 244.0595 -202747.4655 2457.4201 0.0000 0.0000 52087.4917 -108940.4406 299.3475 -161027.9323 -108578.8688 299.3601 -88.3321 -56.4129 762774.8519 3.2981 3.3154 PRESSURE: 591400 -509.907 105.154 -212.709 105.154 161.258 128.803 -212.71 128.803 2.80637 GPRESSURE: 591400 -465.772 174.706 -197.661 102.38 179.87 104.448 -205.341 97.5473 30.7135 PRESSAVG: 591400 -28.3987 22.0829 16.3154 22.0829 83.9577 -26.6877 16.3155 -26.6877 17.8648 GPRESSAVG: 591400 -26.288 21.4747 16.3843 23.6326 81.8158 -27.4324 15.0941 -26.8534 18.0643 TIMING: 591400 CPU: 1869.41, 0.00313835/step Wall: 1869.41, 0.00313835/step, 3.84326 hours remaining, 234.339844 MB of memory in use. ENERGY: 591400 3936.6096 20485.1985 14546.1312 231.7435 -202870.1328 2363.3935 0.0000 0.0000 52258.4601 -109048.5964 300.3301 -161307.0564 -108691.4414 299.8844 -115.2810 -85.0629 762245.0592 24.4746 24.5307 PRESSURE: 591600 -55.1692 135.437 -157.133 135.436 94.6278 -17.9656 -157.133 -17.966 42.2047 GPRESSURE: 591600 -24.7749 117.267 -38.3186 124.797 146.433 4.67416 -226.466 114.724 51.0981 PRESSAVG: 591600 -47.9543 39.7173 -23.7206 39.7172 43.0017 12.519 -23.7205 12.5191 -26.6327 GPRESSAVG: 591600 -49.5448 38.0496 -24.8161 41.7807 43.6785 12.4393 -23.0973 12.8816 -25.3969 TIMING: 591600 CPU: 1870.04, 0.00313945/step Wall: 1870.04, 0.00313945/step, 3.84443 hours remaining, 234.339844 MB of memory in use. ENERGY: 591600 3896.8620 20412.2350 14519.9581 239.8744 -203336.1615 2935.3322 0.0000 0.0000 52145.6823 -109186.2174 299.6820 -161331.8997 -108830.6166 299.2625 27.2211 57.5854 763178.4231 -10.5284 -10.4211 PRESSURE: 591800 100.351 68.9667 -105.74 68.9671 157.254 39.9188 -105.74 39.9177 108.55 GPRESSURE: 591800 80.5703 116.11 -54.5743 208.506 299.665 -37.3985 43.2899 79.2646 87.309 PRESSAVG: 591800 -19.423 31.9235 35.6387 31.9235 14.1655 30.9562 35.6387 30.9562 -22.4885 GPRESSAVG: 591800 -19.9222 34.4368 37.2036 29.676 16.225 31.2356 36.2849 31.0792 -24.3415 TIMING: 591800 CPU: 1870.67, 0.00314983/step Wall: 1870.67, 0.00314983/step, 3.85696 hours remaining, 234.339844 MB of memory in use. ENERGY: 591800 3986.6001 20303.0040 14547.2174 256.9254 -203393.8883 2960.7503 0.0000 0.0000 52019.1410 -109320.2501 298.9547 -161339.3911 -108966.7136 299.1601 122.0516 155.8480 761318.1215 -9.2487 -9.3463 PRESSURE: 592000 -59.4753 -48.754 -158.852 -48.7531 -357.716 71.4507 -158.852 71.4512 -8.62212 GPRESSURE: 592000 15.0698 -28.0284 -109.517 6.48476 -283.658 75.7243 -173.363 47.9055 -72.1403 PRESSAVG: 592000 -54.656 80.1171 12.7854 80.1172 73.6114 9.08479 12.7854 9.08472 41.3059 GPRESSAVG: 592000 -54.8056 80.1325 12.5189 82.3649 72.0244 9.13745 12.2862 9.9302 43.3326 TIMING: 592000 CPU: 1871.3, 0.00315934/step Wall: 1871.3, 0.00315933/step, 3.86843 hours remaining, 234.339844 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: 592000 3978.8811 20403.0683 14563.5188 267.9655 -203376.1314 2871.0521 0.0000 0.0000 52108.1750 -109183.4707 299.4664 -161291.6457 -108822.4047 299.1960 -141.9379 -113.5762 760943.3962 20.0871 20.1838 PRESSURE: 592200 -455.916 -28.5619 86.47 -28.5609 282.481 123.473 86.47 123.472 -221.222 GPRESSURE: 592200 -500.909 -88.7675 75.4759 -152.067 344.992 121.815 66.5127 192.618 -154.583 PRESSAVG: 592200 -34.4774 54.2392 -28.7364 54.2392 -19.5312 79.295 -28.7363 79.295 -9.52818 GPRESSAVG: 592200 -34.7403 52.4537 -29.0385 53.0409 -18.6877 79.1262 -27.7891 78.0538 -10.6626 TIMING: 592200 CPU: 1871.93, 0.0031701/step Wall: 1871.93, 0.0031701/step, 3.88143 hours remaining, 234.339844 MB of memory in use. ENERGY: 592200 3982.1145 20472.0858 14561.8041 234.6695 -203451.7432 2696.4498 0.0000 0.0000 52143.1344 -109361.4853 299.6673 -161504.6197 -109003.7934 299.0419 -131.5523 -103.5000 761471.5644 -21.1789 -21.3635 LDB: ============= START OF LOAD BALANCING ============== 1884.47 LDB: ============== END OF LOAD BALANCING =============== 1884.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1884.47 LDB: ============= START OF LOAD BALANCING ============== 1884.79 LDB: Largest compute 7026 load 0.031126 is 15.9% of average load 0.195248 LDB: Average compute 0.004385 is 2.2% of average load 0.195248 LDB: TIME 1884.79 LOAD: AVG 0.195248 MAX 0.213245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.723 MB LDB: TIME 1884.79 LOAD: AVG 0.195248 MAX 0.213245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.723 MB LDB: TIME 1884.79 LOAD: AVG 0.195248 MAX 0.213245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.723 MB LDB: ============== END OF LOAD BALANCING =============== 1884.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1884.8 PRESSURE: 592400 -66.7652 -36.7521 91.524 -36.7522 -91.247 -260.334 91.5249 -260.333 149.094 GPRESSURE: 592400 -81.9581 -121.961 70.2832 -80.6613 32.8106 -335.953 106.304 -209.947 107.667 PRESSAVG: 592400 -24.2523 -13.8054 -29.7715 -13.8054 14.3935 -12.1276 -29.7716 -12.1276 -28.9614 GPRESSAVG: 592400 -24.1827 -13.9843 -29.7638 -13.8987 13.1133 -11.8602 -32.8259 -14.252 -27.2259 TIMING: 592400 CPU: 1872.58, 0.00326284/step Wall: 1872.58, 0.00326284/step, 3.99481 hours remaining, 233.683594 MB of memory in use. ENERGY: 592400 3984.1438 20356.6531 14591.8753 257.9548 -203267.5575 2650.1410 0.0000 0.0000 52016.8889 -109409.9008 298.9418 -161426.7896 -109042.3385 298.9181 -2.9729 19.5066 763223.0469 -12.9401 -12.7651 PRESSURE: 592600 -122.17 -132.538 21.2207 -132.539 9.28505 49.0464 21.221 49.0475 56.8523 GPRESSURE: 592600 -21.8345 21.895 -57.3844 -45.4627 -83.2802 54.3455 -9.08609 158.056 110.627 PRESSAVG: 592600 -2.45423 -28.0929 -8.69448 -28.0929 38.9786 -18.3858 -8.69447 -18.3857 2.13327 GPRESSAVG: 592600 -2.61523 -24.9327 -6.72866 -27.5818 39.2557 -19.0031 -8.84126 -16.2681 1.07545 TIMING: 592600 CPU: 1873.22, 0.00319727/step Wall: 1873.22, 0.00319727/step, 3.91434 hours remaining, 233.886719 MB of memory in use. ENERGY: 592600 3996.4527 20396.8931 14560.8046 237.8694 -203172.2339 2536.9139 0.0000 0.0000 52126.9454 -109316.3549 299.5743 -161443.3003 -108952.5200 298.8991 -18.6776 1.8374 762843.0095 12.8859 12.5720 PRESSURE: 592800 -219.214 232.876 101.327 232.876 -216.488 173.805 101.327 173.805 15.5076 GPRESSURE: 592800 -160.014 287.693 175.598 117.213 -125.881 148.373 91.7467 129.545 -42.9047 PRESSAVG: 592800 -29.0736 23.3065 30.6115 23.3065 -17.5355 12.045 30.6115 12.045 -13.8607 GPRESSAVG: 592800 -29.4113 24.3234 28.9754 20.9815 -15.9652 11.0645 31.2545 13.539 -14.9998 TIMING: 592800 CPU: 1873.85, 0.00315136/step Wall: 1873.85, 0.00315136/step, 3.85797 hours remaining, 233.886719 MB of memory in use. ENERGY: 592800 4019.4475 20451.8316 14560.3741 259.8323 -203100.1769 2525.6311 0.0000 0.0000 52054.2038 -109228.8564 299.1562 -161283.0602 -108869.1571 298.8379 -140.0649 -109.6000 762134.4883 -20.1566 -20.1254 PRESSURE: 593000 -680.375 -88.9853 -163.163 -88.9851 101.375 169.65 -163.163 169.649 66.777 GPRESSURE: 593000 -578.954 -63.217 -159.004 -118.496 39.5228 181.733 -120.08 161.883 112.388 PRESSAVG: 593000 -7.48867 18.8092 -1.73002 18.8092 36.5702 8.69357 -1.72998 8.69364 28.4947 GPRESSAVG: 593000 -5.98287 17.8171 -1.87418 20.3485 34.8966 9.3602 -1.29385 6.71257 28.6024 TIMING: 593000 CPU: 1874.48, 0.00314305/step Wall: 1874.48, 0.00314305/step, 3.84762 hours remaining, 233.886719 MB of memory in use. ENERGY: 593000 3909.0432 20411.1372 14570.8601 246.0523 -203144.0143 2711.0864 0.0000 0.0000 52076.6280 -109219.2070 299.2851 -161295.8350 -108857.3895 299.2707 -170.7413 -142.3477 762301.9278 19.1921 19.1720 PRESSURE: 593200 264.656 -54.538 336.191 -54.5374 15.2299 52.5896 336.191 52.5889 -186.358 GPRESSURE: 593200 285.684 -72.1979 321.399 48.6607 42.3961 42.8926 313.263 -14.7519 -141.189 PRESSAVG: 593200 -40.5928 33.6063 39.0916 33.6062 70.5944 62.2325 39.0916 62.2325 4.13894 GPRESSAVG: 593200 -41.8384 33.4205 38.3936 31.9612 71.1404 62.6247 39.4865 61.9599 4.60876 TIMING: 593200 CPU: 1875.11, 0.00315729/step Wall: 1875.11, 0.00315729/step, 3.86487 hours remaining, 233.886719 MB of memory in use. ENERGY: 593200 3958.4963 20418.3351 14559.7511 246.2693 -203343.1726 2996.1847 0.0000 0.0000 52204.6008 -108959.5353 300.0206 -161164.1361 -108599.2474 299.6001 31.1760 62.2972 762758.4560 11.3802 11.3036 PRESSURE: 593400 -85.994 -21.9219 188.714 -21.9225 253.781 241.078 188.713 241.077 245.12 GPRESSURE: 593400 10.3973 -7.28136 206.073 -69.6799 315.104 305.311 110.792 241.678 175.127 PRESSAVG: 593400 -39.6114 11.9631 43.3706 11.9631 40.6599 1.32483 43.3706 1.32489 11.859 GPRESSAVG: 593400 -39.6529 12.0129 43.2852 11.9666 41.5272 2.14164 41.9997 1.54403 11.5279 TIMING: 593400 CPU: 1875.74, 0.00313241/step Wall: 1875.74, 0.00313241/step, 3.83425 hours remaining, 233.886719 MB of memory in use. ENERGY: 593400 3982.4107 20241.7515 14620.8619 241.8315 -203074.4630 2801.1727 0.0000 0.0000 51971.6720 -109214.7628 298.6819 -161186.4347 -108851.9482 299.2764 137.6357 166.8762 762820.5684 4.3025 4.4674 PRESSURE: 593600 -169.853 131.681 64.888 131.682 -102.55 48.9193 64.8883 48.9202 91.2605 GPRESSURE: 593600 -96.0847 110.899 47.7592 5.26089 -118.174 109.424 83.0398 11.1156 103.879 PRESSAVG: 593600 -44.358 1.25721 -0.554221 1.2572 31.171 11.3585 -0.554186 11.3585 12.0066 GPRESSAVG: 593600 -43.6667 -1.71922 -0.0189433 3.16002 30.4681 12.2322 -1.72338 9.64214 11.5105 TIMING: 593600 CPU: 1876.37, 0.00313677/step Wall: 1876.37, 0.00313677/step, 3.83941 hours remaining, 233.886719 MB of memory in use. ENERGY: 593600 4024.2919 20359.1224 14550.4201 264.8982 -203158.9595 2786.3604 0.0000 0.0000 51806.9237 -109366.9427 297.7351 -161173.8664 -108997.6101 299.0589 -60.3811 -36.7933 761393.9731 -0.3935 -0.5627 PRESSURE: 593800 193.204 6.8854 48.8785 6.8852 314.878 -256.991 48.8791 -256.991 -227.844 GPRESSURE: 593800 214.65 18.992 -34.5676 2.16664 324.905 -324.131 135.148 -237.758 -168.502 PRESSAVG: 593800 81.977 -7.85424 19.5193 -7.85428 -52.7067 -19.3144 19.5193 -19.3144 -21.1396 GPRESSAVG: 593800 81.8284 -5.26943 18.522 -8.03652 -52.9268 -21.7494 21.7328 -17.6061 -20.6377 TIMING: 593800 CPU: 1877, 0.00315826/step Wall: 1877, 0.00315826/step, 3.86553 hours remaining, 233.886719 MB of memory in use. ENERGY: 593800 3966.0701 20627.4271 14589.9034 242.1130 -203551.4428 2961.7219 0.0000 0.0000 51874.4576 -109289.7497 298.1232 -161164.2073 -108930.1621 298.9182 93.4123 123.6845 763025.2510 2.7102 2.7546 PRESSURE: 594000 10.5368 32.0637 7.56638 32.0643 152.53 -182.385 7.56534 -182.385 158.678 GPRESSURE: 594000 96.6798 31.9256 62.4807 -9.26197 98.6241 -150.279 -45.3173 -209.773 211.803 PRESSAVG: 594000 0.772775 -26.1265 15.857 -26.1265 21.8596 -0.849089 15.857 -0.849059 -19.1728 GPRESSAVG: 594000 1.04894 -28.733 16.8406 -26.1398 20.617 2.74091 15.4228 -1.80377 -17.9694 TIMING: 594000 CPU: 1877.63, 0.00316284/step Wall: 1877.63, 0.00316284/step, 3.87097 hours remaining, 233.886719 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: 594000 3947.0428 20551.7856 14535.6528 235.5661 -203221.0877 2783.7588 0.0000 0.0000 51911.1076 -109256.1739 298.3338 -161167.2815 -108907.6652 298.9210 107.2484 135.7025 761156.6344 1.1532 1.2322 PRESSURE: 594200 -227.168 -39.0421 29.9709 -39.0415 137.997 16.0633 29.9704 16.0625 44.7135 GPRESSURE: 594200 -98.8465 -7.308 106.146 -70.1225 85.5082 74.8789 17.9451 105.472 47.1976 PRESSAVG: 594200 4.78138 2.89994 31.0043 2.9 16.2216 -4.44387 31.0043 -4.44388 -11.1071 GPRESSAVG: 594200 5.44128 4.30774 33.2056 4.71038 17.7356 -7.28291 29.667 -3.24966 -12.7883 TIMING: 594200 CPU: 1878.27, 0.00316979/step Wall: 1878.27, 0.00316979/step, 3.87929 hours remaining, 233.886719 MB of memory in use. ENERGY: 594200 4045.8783 20508.5376 14573.0957 234.8042 -203151.5416 2645.1141 0.0000 0.0000 51988.8963 -109155.2154 298.7809 -161144.1117 -108793.4647 299.4262 -14.8192 11.2865 762306.1176 3.2986 3.4629 PRESSURE: 594400 -473.604 -204.694 306.716 -204.693 -355.096 110.359 306.715 110.359 -253.809 GPRESSURE: 594400 -491.838 -86.7818 244.978 -104.085 -296.938 126.153 289.315 103.167 -195.799 PRESSAVG: 594400 -48.9445 40.2331 26.2094 40.233 40.0413 42.6847 26.2094 42.6847 -10.8248 GPRESSAVG: 594400 -49.201 39.3273 23.8388 39.1594 39.7859 41.3279 28.4404 42.0484 -10.1398 TIMING: 594400 CPU: 1878.9, 0.00318583/step Wall: 1878.9, 0.00318583/step, 3.89874 hours remaining, 233.886719 MB of memory in use. ENERGY: 594400 4061.7586 20452.8687 14574.6335 230.7286 -203232.4565 2597.4543 0.0000 0.0000 51958.4017 -109356.6110 298.6056 -161315.0127 -108993.6778 298.8314 -360.8363 -328.1914 761937.4001 -6.5760 -6.5183 PRESSURE: 594600 -501.094 -136.914 -210.316 -136.914 7.80283 30.773 -210.316 30.772 -19.4308 GPRESSURE: 594600 -488.537 -186.118 -274.973 -113.208 36.159 9.61591 -217.806 35.9827 10.0898 PRESSAVG: 594600 -62.9394 -66.084 -12.7061 -66.084 41.4025 5.40977 -12.7061 5.40981 -4.46582 GPRESSAVG: 594600 -62.9848 -66.0692 -12.82 -65.9073 40.9408 6.71956 -12.5876 7.01302 -3.48733 TIMING: 594600 CPU: 1879.54, 0.00317575/step Wall: 1879.54, 0.00317576/step, 3.88624 hours remaining, 233.886719 MB of memory in use. ENERGY: 594600 4027.6872 20380.3176 14526.0015 240.1318 -203695.5357 3035.9049 0.0000 0.0000 52079.8312 -109405.6616 299.3035 -161485.4928 -109028.3007 299.0606 -170.9075 -147.4295 763593.9368 -8.6675 -8.5104 PRESSURE: 594800 273.149 -187.896 382.723 -187.896 -9.71621 296.543 382.723 296.543 281.163 GPRESSURE: 594800 357.26 -199.641 407.366 -158.456 -6.51429 281.635 355.148 320.79 285.102 PRESSAVG: 594800 -23.0077 -0.367023 5.77312 -0.367035 -9.98732 8.52427 5.77314 8.5243 7.35297 GPRESSAVG: 594800 -23.0675 -0.498301 6.17032 -0.0721051 -9.33912 9.33751 4.69275 7.47575 7.15446 TIMING: 594800 CPU: 1880.17, 0.00316888/step Wall: 1880.17, 0.00316888/step, 3.87765 hours remaining, 233.886719 MB of memory in use. ENERGY: 594800 3960.2456 20273.1716 14573.8888 251.3501 -203577.2745 2848.2634 0.0000 0.0000 52184.8224 -109485.5326 299.9069 -161670.3550 -109114.5038 298.9202 181.5319 211.9492 761986.0095 -8.5474 -8.4174 PRESSURE: 595000 -230.803 96.4414 -91.5499 96.4413 -212.888 119.413 -91.5496 119.414 -65.0741 GPRESSURE: 595000 -194.809 106.312 -95.4861 142.437 -188.047 94.5233 -98.104 168.513 -48.1837 PRESSAVG: 595000 -44.4344 -6.20973 -15.1804 -6.20972 -0.542045 58.99 -15.1804 58.9901 5.07391 GPRESSAVG: 595000 -44.7272 -6.46699 -16.0881 -4.87597 -0.0427622 56.9065 -14.2582 61.1217 4.77496 TIMING: 595000 CPU: 1880.8, 0.00313879/step Wall: 1880.8, 0.00313879/step, 3.84066 hours remaining, 233.886719 MB of memory in use. ENERGY: 595000 3995.2759 20521.5959 14561.0372 248.8529 -203392.9792 2704.3733 0.0000 0.0000 51993.7580 -109368.0860 298.8088 -161361.8440 -109004.6717 299.1011 -169.5883 -143.6801 760732.4859 -13.3009 -13.3317 PRESSURE: 595200 103.525 -168.255 -200.958 -168.255 11.1712 163.92 -200.958 163.92 -238.396 GPRESSURE: 595200 97.8928 -219.515 -178.705 -217.867 52.4793 160.261 -59.5066 62.2191 -205.132 PRESSAVG: 595200 -2.88527 22.0775 -31.6925 22.0775 47.8832 68.8863 -31.6925 68.8863 32.0574 GPRESSAVG: 595200 -3.59178 22.4905 -31.1861 19.2421 47.8659 69.7506 -32.7536 66.0671 32.4754 TIMING: 595200 CPU: 1881.43, 0.00314304/step Wall: 1881.43, 0.00314304/step, 3.84568 hours remaining, 233.886719 MB of memory in use. ENERGY: 595200 3957.9943 20508.4034 14603.3955 259.5560 -203475.6357 2742.5401 0.0000 0.0000 51943.0316 -109460.7148 298.5173 -161403.7464 -109102.5294 299.3611 -41.2332 -18.2532 761760.7865 25.6851 25.5832 PRESSURE: 595400 58.7386 -45.2617 115.138 -45.261 476.884 25.1096 115.139 25.1092 151.951 GPRESSURE: 595400 112.307 -31.8846 26.3466 37.9309 457.897 29.4762 52.0676 38.9485 216.216 PRESSAVG: 595400 2.59471 18.3195 -53.8541 18.3195 3.56356 1.96307 -53.8541 1.96303 -3.6545 GPRESSAVG: 595400 3.03053 16.5387 -53.3106 20.8524 4.39124 1.7449 -56.2863 1.99364 -4.67444 TIMING: 595400 CPU: 1882.06, 0.00314647/step Wall: 1882.06, 0.00314647/step, 3.8497 hours remaining, 233.886719 MB of memory in use. ENERGY: 595400 3991.9661 20336.7488 14571.6082 235.8015 -203506.7149 2928.9802 0.0000 0.0000 52019.4002 -109422.2099 298.9562 -161441.6101 -109058.5170 299.1443 229.1911 262.1400 760721.8382 0.8346 0.9158 PRESSURE: 595600 233.919 179.823 73.1031 179.824 -23.3418 9.03963 73.1036 9.03898 314.546 GPRESSURE: 595600 277.352 227.613 9.93123 73.2377 -7.36644 42.0087 210.276 54.6563 335.374 PRESSAVG: 595600 43.6099 -17.8501 -10.3453 -17.8502 -5.88821 -12.4773 -10.3453 -12.4773 19.3772 GPRESSAVG: 595600 42.8129 -15.5274 -10.3058 -20.577 -5.53316 -12.0532 -7.28336 -10.7206 19.8846 TIMING: 595600 CPU: 1882.69, 0.0031415/step Wall: 1882.69, 0.0031415/step, 3.84345 hours remaining, 233.886719 MB of memory in use. ENERGY: 595600 4039.2654 20434.9821 14535.2619 255.0999 -203908.5427 3032.3762 0.0000 0.0000 52041.9833 -109569.5738 299.0860 -161611.5571 -109205.3183 298.9297 175.0410 201.7866 762346.7916 19.0330 19.0548 PRESSURE: 595800 -133.922 -95.1468 251.818 -95.1465 438.603 -10.8032 251.817 -10.8046 706.99 GPRESSURE: 595800 -71.977 -31.0044 205.185 -24.2385 473.348 -35.4666 127.448 -64.0276 695.385 PRESSAVG: 595800 -13.5421 -18.4655 9.83915 -18.4654 2.75794 -7.79718 9.83915 -7.79722 31.1375 GPRESSAVG: 595800 -12.8151 -20.6213 10.6705 -16.0164 1.02987 -7.54036 4.56183 -8.37631 31.5057 TIMING: 595800 CPU: 1883.32, 0.00314772/step Wall: 1883.32, 0.00314772/step, 3.85089 hours remaining, 233.886719 MB of memory in use. ENERGY: 595800 3930.4521 20512.7469 14588.4779 254.9592 -203816.9000 2929.0141 0.0000 0.0000 52139.3724 -109461.8774 299.6457 -161601.2497 -109112.7609 298.8363 337.2236 365.5853 761501.1816 6.7845 6.5735 PRESSURE: 596000 -214.317 -69.4962 159.892 -69.4958 -197.585 195.163 159.892 195.162 -233.182 GPRESSURE: 596000 -225.529 108.632 168.692 -239.577 -60.9186 157.376 154.209 147.331 -260.524 PRESSAVG: 596000 -25.0811 29.823 6.85867 29.823 7.63363 -14.56 6.85866 -14.5599 -9.24287 GPRESSAVG: 596000 -24.4174 31.9972 6.01399 28.5358 8.59905 -16.7395 10.6076 -14.392 -10.2508 TIMING: 596000 CPU: 1883.95, 0.00315888/step Wall: 1883.95, 0.00315888/step, 3.86436 hours remaining, 233.886719 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: 596000 4122.5931 20457.9050 14533.4461 227.5564 -203041.4275 2451.3138 0.0000 0.0000 51672.3287 -109576.2844 296.9616 -161248.6131 -109214.9405 298.4866 -215.0278 -182.3239 762657.1563 -8.8968 -8.6897 PRESSURE: 596200 7.97225 34.8693 -27.7598 34.8695 212.142 -39.4814 -27.76 -39.4813 -107.666 GPRESSURE: 596200 -30.9601 52.4788 -48.0717 84.9899 282.355 -48.1136 -17.0235 18.3731 -47.309 PRESSAVG: 596200 36.5321 6.19434 4.40322 6.19431 -5.27441 -10.048 4.40324 -10.048 4.72851 GPRESSAVG: 596200 35.5242 5.67623 3.74678 7.15444 -3.6305 -9.74336 3.96886 -10.3493 5.01001 TIMING: 596200 CPU: 1884.57, 0.00313113/step Wall: 1884.57, 0.00313113/step, 3.83024 hours remaining, 233.886719 MB of memory in use. ENERGY: 596200 4007.7940 20603.9514 14487.2574 232.1829 -203862.7721 3040.0570 0.0000 0.0000 51936.5959 -109554.9333 298.4803 -161491.5293 -109193.9230 298.2350 37.4827 68.0285 762164.4647 11.9954 12.3012 LDB: ============= START OF LOAD BALANCING ============== 1897.1 LDB: ============== END OF LOAD BALANCING =============== 1897.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1897.1 LDB: ============= START OF LOAD BALANCING ============== 1897.42 LDB: Largest compute 7026 load 0.033530 is 17.2% of average load 0.195216 LDB: Average compute 0.004394 is 2.3% of average load 0.195216 LDB: TIME 1897.42 LOAD: AVG 0.195216 MAX 0.211316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.758 MB LDB: TIME 1897.42 LOAD: AVG 0.195216 MAX 0.211316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.758 MB LDB: TIME 1897.42 LOAD: AVG 0.195216 MAX 0.211316 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.758 MB LDB: ============== END OF LOAD BALANCING =============== 1897.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1897.43 PRESSURE: 596400 -124.958 -217.023 -253.154 -217.022 -103.177 1.69947 -253.154 1.69932 -22.8728 GPRESSURE: 596400 25.5021 -218.414 -196.207 -94.2567 -68.4553 0.783832 -148.366 77.8136 -116.539 PRESSAVG: 596400 33.7429 -20.7426 34.3055 -20.7425 -12.3709 9.39075 34.3055 9.39081 -3.10028 GPRESSAVG: 596400 34.6187 -21.3702 34.2045 -18.5815 -12.2905 9.23495 35.9154 8.30588 -4.10973 TIMING: 596400 CPU: 1885.21, 0.00320326/step Wall: 1885.21, 0.00320325/step, 3.91829 hours remaining, 232.867188 MB of memory in use. ENERGY: 596400 4004.8886 20427.3247 14490.0691 238.3949 -203317.2901 2612.5723 0.0000 0.0000 51764.7271 -109779.3134 297.4926 -161544.0405 -109412.5322 298.4670 -83.6691 -53.1641 761014.4361 6.0906 6.0728 PRESSURE: 596600 143.493 -63.2169 130.933 -63.2175 196.729 -164.426 130.933 -164.426 2.83495 GPRESSURE: 596600 154.812 79.2631 162.45 -23.7492 203.68 -136.594 70.5268 -33.6275 70.3602 PRESSAVG: 596600 4.26818 -27.8241 -33.757 -27.8241 54.4436 -45.577 -33.7571 -45.577 1.66656 GPRESSAVG: 596600 4.97362 -30.008 -34.0769 -30.166 52.5547 -44.8828 -33.4833 -44.5758 3.28924 TIMING: 596600 CPU: 1885.84, 0.00315111/step Wall: 1885.84, 0.00315111/step, 3.85433 hours remaining, 233.125000 MB of memory in use. ENERGY: 596600 3897.5986 20519.4837 14543.1591 235.3466 -203423.2306 2775.2513 0.0000 0.0000 51855.4038 -109596.9876 298.0137 -161452.3914 -109245.6568 298.4790 114.3523 142.9509 761218.2974 20.1261 20.2725 PRESSURE: 596800 58.4387 -181.235 -50.5879 -181.235 330.612 115.388 -50.5886 115.388 239.232 GPRESSURE: 596800 59.2121 -75.106 -21.9401 7.47804 461.404 95.7369 -104.54 -15.5708 170.338 PRESSAVG: 596800 -32.7328 8.23707 -29.3273 8.23704 33.7828 10.5746 -29.3274 10.5745 -0.797586 GPRESSAVG: 596800 -32.9339 9.74763 -29.7708 10.8646 33.7947 9.81536 -29.1384 9.39766 -0.826081 TIMING: 596800 CPU: 1886.47, 0.00314015/step Wall: 1886.47, 0.00314015/step, 3.84075 hours remaining, 233.195312 MB of memory in use. ENERGY: 596800 3944.7214 20447.5665 14531.5639 253.0613 -203298.9261 2647.9603 0.0000 0.0000 51942.4136 -109531.6391 298.5138 -161474.0526 -109171.3834 298.8718 209.4274 230.3181 761343.9131 0.0841 0.0116 PRESSURE: 597000 -106.533 60.5464 102.505 60.5469 18.0138 249.562 102.504 249.562 -20.7925 GPRESSURE: 597000 9.08073 -23.0925 103.767 21.7156 48.899 163.276 83.3591 279.705 -78.1095 PRESSAVG: 597000 2.65309 8.98059 -38.4186 8.98058 18.7508 15.5446 -38.4186 15.5446 4.03792 GPRESSAVG: 597000 2.56252 10.3788 -35.9743 3.76385 19.9664 15.4427 -41.589 17.5806 3.32539 TIMING: 597000 CPU: 1887.1, 0.00313399/step Wall: 1887.1, 0.00313399/step, 3.83304 hours remaining, 233.195312 MB of memory in use. ENERGY: 597000 4012.3703 20664.5758 14431.1756 232.6650 -203587.1712 2633.5353 0.0000 0.0000 52063.2251 -109549.6241 299.2081 -161612.8493 -109181.0003 298.4911 -36.4372 -6.7099 761619.7024 8.4806 8.6181 PRESSURE: 597200 -18.0592 -39.7214 68.0134 -39.7204 -184.813 -52.9138 68.0136 -52.9135 -476.247 GPRESSURE: 597200 20.8476 -110.083 65.6448 40.1778 -130.229 -88.1235 190.275 -76.7843 -502.614 PRESSAVG: 597200 -33.8056 -9.84721 -14.645 -9.84722 10.1307 -2.31566 -14.645 -2.31565 3.76841 GPRESSAVG: 597200 -33.2777 -11.8879 -16.8456 -7.77059 10.5078 -0.78482 -14.0607 -5.37975 2.78459 TIMING: 597200 CPU: 1887.73, 0.00313559/step Wall: 1887.73, 0.00313559/step, 3.83483 hours remaining, 233.195312 MB of memory in use. ENERGY: 597200 4055.2687 20657.9563 14515.1483 256.7698 -203408.6869 2433.9426 0.0000 0.0000 51896.2760 -109593.3251 298.2486 -161489.6011 -109235.1970 298.7858 -226.3730 -203.9987 761562.2512 -6.6355 -6.6618 PRESSURE: 597400 -103.066 -94.919 -41.9155 -94.9183 24.0231 -225.476 -41.9159 -225.476 -40.4479 GPRESSURE: 597400 -58.0706 -10.3874 -101.971 -111.584 21.638 -154.619 -30.5618 -208.559 -2.90614 PRESSAVG: 597400 72.7995 50.8717 -20.6673 50.8717 -14.3059 -8.02653 -20.6674 -8.02646 -0.222641 GPRESSAVG: 597400 72.26 51.5779 -20.0067 50.0406 -14.5052 -8.91418 -17.8452 -5.45049 0.0171001 TIMING: 597400 CPU: 1888.36, 0.00315539/step Wall: 1888.36, 0.00315539/step, 3.85887 hours remaining, 233.195312 MB of memory in use. ENERGY: 597400 4054.9221 20532.8921 14446.6007 225.0486 -203650.0924 2961.4768 0.0000 0.0000 51924.1476 -109505.0045 298.4088 -161429.1521 -109143.4147 298.2198 -39.8301 -13.1129 762087.5210 19.4236 19.2573 PRESSURE: 597600 298.172 130.763 -146.301 130.765 -209.326 -3.67321 -146.301 -3.67311 80.2066 GPRESSURE: 597600 220.63 136.5 -130.376 77.5897 -57.0888 -63.7297 -169.026 -18.4915 91.3283 PRESSAVG: 597600 3.1521 47.7522 3.0448 47.7522 -52.0291 -25.4153 3.04483 -25.4153 -0.372546 GPRESSAVG: 597600 1.21525 49.3425 2.27464 48.709 -50.0222 -23.99 1.64892 -26.5941 -0.931674 TIMING: 597600 CPU: 1888.98, 0.00312819/step Wall: 1888.98, 0.00312819/step, 3.82543 hours remaining, 233.195312 MB of memory in use. ENERGY: 597600 4012.1402 20342.8786 14504.6815 255.3980 -203391.6352 2915.2237 0.0000 0.0000 51943.2346 -109418.0787 298.5185 -161361.3132 -109047.9422 298.3646 56.3507 84.9565 764014.8121 -16.4165 -16.5795 PRESSURE: 597800 473.038 -60.9116 -62.6681 -60.9112 -94.8513 211.717 -62.6685 211.716 47.372 GPRESSURE: 597800 507.281 -0.807516 -76.6658 -74.6074 -89.5508 239.24 -59.4835 294.972 83.5305 PRESSAVG: 597800 71.9049 -15.8538 -50.0232 -15.8538 -37.6066 53.5648 -50.0231 53.5647 -10.7092 GPRESSAVG: 597800 72.4898 -17.289 -49.2292 -15.6217 -40.0395 53.6046 -49.2112 53.4344 -8.76649 TIMING: 597800 CPU: 1889.61, 0.00314068/step Wall: 1889.61, 0.00314068/step, 3.84052 hours remaining, 233.195312 MB of memory in use. ENERGY: 597800 3957.6141 20456.7001 14636.6593 258.1807 -203689.2787 2811.0134 0.0000 0.0000 52193.8864 -109375.2247 299.9590 -161569.1110 -109001.6178 298.8744 141.8529 167.0869 759059.8882 7.8630 7.8946 PRESSURE: 598000 -206.428 138.929 -138.559 138.929 -16.9816 10.826 -138.559 10.8266 125.762 GPRESSURE: 598000 -124.515 125.454 -48.0155 36.396 -41.3255 46.3872 -227.132 8.36617 153.097 PRESSAVG: 598000 30.373 -3.09348 -27.2117 -3.09334 -24.1211 -16.3252 -27.2117 -16.3251 -30.1732 GPRESSAVG: 598000 31.0845 -2.62177 -27.8467 -3.00765 -24.1872 -16.7593 -26.7034 -16.5212 -30.7775 TIMING: 598000 CPU: 1890.24, 0.00315096/step Wall: 1890.24, 0.00315096/step, 3.85292 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: 598000 3953.9434 20656.1805 14537.2220 240.8957 -203093.4125 2529.3486 0.0000 0.0000 51943.0306 -109232.7917 298.5173 -161175.8223 -108885.0115 299.1098 -32.5492 -4.2478 762186.1543 -7.9738 -7.9601 PRESSURE: 598200 152.082 -3.97462 161.796 -3.9754 -361.431 -268.769 161.796 -268.768 437.932 GPRESSURE: 598200 259.981 41.3058 63.7499 4.54175 -219.626 -289.44 57.7208 -196.379 302.588 PRESSAVG: 598200 46.2944 -31.947 -18.9202 -31.947 -25.5816 -53.8493 -18.9202 -53.8494 -32.2908 GPRESSAVG: 598200 46.4273 -31.4162 -18.5601 -32.7449 -25.0693 -53.6725 -19.8793 -52.5167 -32.5305 TIMING: 598200 CPU: 1890.87, 0.00315755/step Wall: 1890.87, 0.00315755/step, 3.86081 hours remaining, 233.195312 MB of memory in use. ENERGY: 598200 3982.9640 20436.8700 14568.6882 229.1149 -203183.6099 2871.1148 0.0000 0.0000 52007.9602 -109086.8977 298.8905 -161094.8579 -108727.5312 298.8743 76.1943 114.3145 764604.6293 -3.8593 -3.7242 PRESSURE: 598400 49.7394 117.181 -4.70727 117.18 -367.044 38.9724 -4.70715 38.9726 -217.536 GPRESSURE: 598400 28.5673 58.0914 -24.8226 111.181 -277.576 -0.879444 -54.5211 0.890896 -200.854 PRESSAVG: 598400 73.3197 -47.3158 -0.417711 -47.3158 -73.2129 -50.074 -0.417707 -50.074 19.6008 GPRESSAVG: 598400 72.7816 -48.1307 -0.485665 -46.0918 -73.9424 -47.8581 -1.6667 -50.9804 20.8863 TIMING: 598400 CPU: 1891.5, 0.0031333/step Wall: 1891.5, 0.0031333/step, 3.83098 hours remaining, 233.195312 MB of memory in use. ENERGY: 598400 4050.0043 20514.0626 14491.7177 257.7410 -203201.9540 2616.4927 0.0000 0.0000 52108.9624 -109162.9733 299.4709 -161271.9357 -108804.5289 299.2554 -178.2800 -149.9542 762962.2033 6.5692 6.5752 PRESSURE: 598600 164.049 4.18916 -232.756 4.19005 431.613 55.6401 -232.756 55.6413 238.414 GPRESSURE: 598600 133.895 -82.8647 -201.167 66.2442 432.682 14.1767 -87.2812 -58.8427 358.496 PRESSAVG: 598600 17.3906 -15.0786 44.2422 -15.0786 27.7735 -33.6286 44.2422 -33.6286 7.44032 GPRESSAVG: 598600 17.2069 -15.2983 43.8454 -17.4509 29.4846 -36.0391 44.0243 -36.846 6.59675 TIMING: 598600 CPU: 1892.13, 0.00313233/step Wall: 1892.13, 0.00313234/step, 3.82963 hours remaining, 233.195312 MB of memory in use. ENERGY: 598600 4023.7564 20534.6031 14510.3195 243.3297 -203490.5439 3135.8923 0.0000 0.0000 52093.0898 -108949.5530 299.3797 -161042.6428 -108592.4401 299.4086 278.0252 308.3573 762609.5816 17.5348 17.7628 PRESSURE: 598800 -184.066 -141.899 -257.151 -141.899 -14.8456 -246.027 -257.151 -246.026 189.708 GPRESSURE: 598800 -149.372 -122.305 -264.644 -145.161 21.4404 -263.905 -105.026 -113.647 203.939 PRESSAVG: 598800 1.16002 -50.3285 -21.1549 -50.3285 10.2675 -32.1584 -21.1549 -32.1584 1.74808 GPRESSAVG: 598800 1.73892 -49.2011 -20.3039 -48.378 9.40936 -31.4616 -19.7605 -27.9747 1.81741 TIMING: 598800 CPU: 1892.76, 0.00315091/step Wall: 1892.76, 0.00315091/step, 3.85217 hours remaining, 233.195312 MB of memory in use. ENERGY: 598800 4060.3759 20588.9565 14504.2714 244.0076 -203129.0899 2649.1977 0.0000 0.0000 52210.9336 -108871.3473 300.0570 -161082.2809 -108513.5259 299.4920 -3.0676 25.3357 762103.6925 4.3919 4.3219 PRESSURE: 599000 200.304 -88.7321 211.749 -88.7313 360.889 -57.815 211.75 -57.8147 -31.3244 GPRESSURE: 599000 173.851 -103.283 224.886 -80.3867 403.093 -86.4435 52.2072 -69.6574 33.2778 PRESSAVG: 599000 34.8059 -38.7877 36.9497 -38.7877 -45.4872 -36.8407 36.9497 -36.8406 12.1718 GPRESSAVG: 599000 34.469 -38.7202 37.3926 -38.3779 -45.5992 -35.8769 36.4602 -38.2504 12.5293 TIMING: 599000 CPU: 1893.39, 0.00315024/step Wall: 1893.39, 0.00315024/step, 3.85117 hours remaining, 233.195312 MB of memory in use. ENERGY: 599000 3964.3729 20531.3318 14529.6486 242.3070 -203060.0518 2751.3260 0.0000 0.0000 51876.4005 -109164.6650 298.1344 -161041.0655 -108799.6564 299.2951 176.6227 203.4073 763343.3185 0.4968 0.4664 PRESSURE: 599200 37.6083 21.2172 -85.1132 21.217 -362.528 71.4922 -85.1136 71.4922 -58.8334 GPRESSURE: 599200 49.3994 -19.397 -79.3152 9.99455 -280.3 51.3743 -77.8176 212.152 -69.6141 PRESSAVG: 599200 42.1297 -15.8154 7.00515 -15.8154 -69.294 2.27624 7.00522 2.27636 -20.5673 GPRESSAVG: 599200 42.3064 -16.8671 6.76258 -14.8886 -69.9482 1.55309 6.715 3.74843 -20.3369 TIMING: 599200 CPU: 1894.02, 0.00314598/step Wall: 1894.02, 0.00314598/step, 3.84578 hours remaining, 233.195312 MB of memory in use. ENERGY: 599200 4022.0479 20504.6087 14548.7043 246.8423 -202830.5552 2387.9357 0.0000 0.0000 51945.4467 -109174.9697 298.5312 -161120.4164 -108807.5867 299.4138 -127.9177 -100.1715 763550.8685 -15.9105 -15.9929 PRESSURE: 599400 -61.9537 209.016 130.792 209.015 -127.002 128.254 130.792 128.254 -62.227 GPRESSURE: 599400 -50.3946 71.0452 118.427 48.9094 -90.3599 61.7641 19.1682 98.7517 -33.5261 PRESSAVG: 599400 33.1646 37.8839 13.447 37.8839 -61.9492 -2.40468 13.447 -2.40465 -9.49458 GPRESSAVG: 599400 33.6086 38.428 14.3661 36.2427 -61.7043 -3.53878 13.7073 -2.56684 -10.8841 TIMING: 599400 CPU: 1894.65, 0.00314926/step Wall: 1894.65, 0.00314926/step, 3.84962 hours remaining, 233.195312 MB of memory in use. ENERGY: 599400 4040.0664 20458.5339 14490.3816 250.1430 -203128.1346 2586.9428 0.0000 0.0000 52173.2891 -109128.7778 299.8406 -161302.0669 -108767.4800 299.4023 -83.7276 -58.0935 762148.8410 -12.7597 -12.9933 PRESSURE: 599600 -371.279 2.67316 58.3129 2.6734 -165.406 53.9815 58.3125 53.9818 83.1259 GPRESSURE: 599600 -335.834 -80.8533 102.787 -31.8683 -49.1039 13.3831 154.611 122.521 32.7134 PRESSAVG: 599600 27.6324 -6.84246 6.25624 -6.84241 -55.8704 5.32182 6.25624 5.3218 -15.104 GPRESSAVG: 599600 27.4904 -7.69598 4.72349 -5.66017 -56.5107 6.66272 5.06239 2.79835 -14.3069 TIMING: 599600 CPU: 1895.28, 0.00315454/step Wall: 1895.28, 0.00315454/step, 3.8559 hours remaining, 233.195312 MB of memory in use. ENERGY: 599600 3936.5298 20517.4361 14516.9044 238.3563 -203218.7837 2618.2771 0.0000 0.0000 52123.9724 -109267.3076 299.5572 -161391.2800 -108901.6221 298.9710 -151.1864 -117.4081 763394.0472 -14.4473 -14.4424 PRESSURE: 599800 93.4468 201.15 -36.7986 201.15 95.3307 -165.777 -36.7974 -165.775 231.118 GPRESSURE: 599800 113.29 68.9714 -15.8558 291.545 158.219 -167.259 -18.2574 -159.784 238.96 PRESSAVG: 599800 -20.3112 21.9175 -1.80922 21.9175 -33.6621 -4.98655 -1.80927 -4.9865 26.6837 GPRESSAVG: 599800 -20.8651 21.7071 1.4221 21.9277 -33.5657 -4.0379 -1.75268 -5.51285 27.1844 TIMING: 599800 CPU: 1895.91, 0.0031448/step Wall: 1895.91, 0.0031448/step, 3.84382 hours remaining, 233.195312 MB of memory in use. ENERGY: 599800 3974.8676 20304.6537 14554.8606 246.6616 -203313.2355 2770.0374 0.0000 0.0000 52246.8419 -109215.3127 300.2633 -161462.1545 -108838.4955 299.4357 139.9651 170.1565 761236.6003 -9.0966 -9.0822 PRESSURE: 600000 297.476 -127.87 -238.629 -127.871 32.9456 -92.5266 -238.629 -92.5267 382.128 GPRESSURE: 600000 267.212 -197.733 -211.147 -150.832 110.942 -176.89 -296.296 -0.536693 410.326 PRESSAVG: 600000 27.8413 -74.5858 1.8338 -74.5858 -38.6699 -30.4725 1.83371 -30.4725 8.45406 GPRESSAVG: 600000 28.2058 -71.9264 -1.81629 -75.9413 -38.4058 -33.2574 2.53576 -27.1377 8.10981 TIMING: 600000 CPU: 1896.54, 0.00317073/step Wall: 1896.54, 0.00317073/step, 3.87534 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: 600000 3983.1725 20526.9913 14465.4300 239.2657 -203276.7869 2719.9594 0.0000 0.0000 52121.5058 -109220.4622 299.5430 -161341.9680 -108859.2403 299.4248 237.5166 262.8266 760394.8818 -0.7915 -0.6967 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.039 seconds, 233.195 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -210.661 -66.7066 49.3018 -66.7072 -4.85424 -300.859 49.302 -300.858 -248.011 GPRESSURE: 600200 -111.793 -79.4554 54.5231 -208.081 14.7532 -359.858 63.9412 -236.789 -278.053 PRESSAVG: 600200 42.7651 -25.3942 -58.651 -25.3942 -26.8606 -56.9261 -58.651 -56.9261 -4.61823 GPRESSAVG: 600200 42.7244 -25.5534 -58.7973 -27.0058 -27.3394 -55.2441 -57.1468 -59.4601 -4.83277 TIMING: 600200 CPU: 1897.25, 0.00354535/step Wall: 1897.25, 0.00354535/step, 4.33301 hours remaining, 233.195312 MB of memory in use. ENERGY: 600200 3942.2717 20408.1303 14465.9694 256.9709 -203020.7002 2557.5880 0.0000 0.0000 51974.1027 -109415.6672 298.6959 -161389.7699 -109052.1745 298.9411 -154.5086 -125.0309 759909.0380 3.7621 3.5174 LDB: ============= START OF LOAD BALANCING ============== 1909.78 LDB: ============== END OF LOAD BALANCING =============== 1909.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1909.78 LDB: ============= START OF LOAD BALANCING ============== 1910.1 LDB: Largest compute 7026 load 0.032662 is 16.7% of average load 0.195213 LDB: Average compute 0.004386 is 2.2% of average load 0.195213 LDB: TIME 1910.1 LOAD: AVG 0.195213 MAX 0.215004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1910.1 LOAD: AVG 0.195213 MAX 0.215004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.074 MB LDB: TIME 1910.1 LOAD: AVG 0.195213 MAX 0.215004 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.074 MB LDB: ============== END OF LOAD BALANCING =============== 1910.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1910.11 PRESSURE: 600400 -71.1089 93.2139 382.43 93.2136 -140.214 115.773 382.43 115.773 125.855 GPRESSURE: 600400 29.3552 132.172 371.404 117.977 -138.431 98.3466 249.846 169.901 93.7161 PRESSAVG: 600400 43.66 -46.3096 23.1307 -46.3096 -99.2167 -25.5143 23.1308 -25.5144 24.0482 GPRESSAVG: 600400 44.4237 -45.7784 24.3525 -44.1415 -99.7952 -26.5778 21.4918 -23.6898 24.3114 TIMING: 600400 CPU: 1897.89, 0.00320203/step Wall: 1897.89, 0.00320203/step, 3.91324 hours remaining, 232.867188 MB of memory in use. ENERGY: 600400 3984.5245 20629.7446 14451.9033 236.8032 -203592.7548 2765.3674 0.0000 0.0000 52180.3363 -109344.0755 299.8811 -161524.4118 -108978.9446 299.0449 -28.4894 -5.1199 760008.4269 -10.5028 -10.3534 PRESSURE: 600600 293.079 -59.9066 -184.175 -59.9074 -49.0299 228.244 -184.175 228.243 126.404 GPRESSURE: 600600 298.235 -30.047 -246.01 -1.87449 -1.32724 316.272 -100.233 62.2588 160.321 PRESSAVG: 600600 47.3011 -21.8002 -41.1445 -21.8002 -78.9154 0.533019 -41.1446 0.532988 31.3123 GPRESSAVG: 600600 45.7101 -21.925 -40.9846 -21.3407 -78.1013 1.58212 -40.8593 -1.54968 31.3529 TIMING: 600600 CPU: 1898.52, 0.00315604/step Wall: 1898.52, 0.00315604/step, 3.85686 hours remaining, 232.867188 MB of memory in use. ENERGY: 600600 3961.5046 20511.0887 14483.5946 263.2561 -203367.6241 2805.1774 0.0000 0.0000 52057.5842 -109285.4185 299.1757 -161343.0028 -108917.1773 299.1801 123.4844 152.4096 761282.6855 -0.1007 -0.3461 PRESSURE: 600800 -172.643 7.9248 -61.7099 7.92443 -246.457 -158.574 -61.7088 -158.573 -210.482 GPRESSURE: 600800 -106.283 -142.768 -49.6208 31.3971 -281.092 -107.932 -57.2553 -65.2509 -181.348 PRESSAVG: 600800 14.5727 -18.427 -78.2363 -18.427 -34.3261 -6.61512 -78.2363 -6.61503 16.7067 GPRESSAVG: 600800 14.9795 -19.4657 -76.1329 -18.9279 -35.2087 -6.65262 -78.31 -6.02813 16.5681 TIMING: 600800 CPU: 1899.15, 0.00314788/step Wall: 1899.15, 0.00314788/step, 3.84671 hours remaining, 232.867188 MB of memory in use. ENERGY: 600800 4020.9792 20599.4652 14526.3959 250.0972 -203246.2775 2521.3785 0.0000 0.0000 52151.4167 -109176.5449 299.7149 -161327.9616 -108806.0422 299.0122 -209.8606 -189.5744 762416.5676 -1.0156 -1.2204 PRESSURE: 601000 534.025 -62.9509 -33.2013 -62.9513 -19.472 -87.2687 -33.2014 -87.2685 226.464 GPRESSURE: 601000 549.367 -28.7089 -101.854 -39.24 10.7393 -33.6627 123.121 -66.2349 282.02 PRESSAVG: 601000 23.3292 0.574338 -10.5504 0.574359 -30.3152 -10.0255 -10.5504 -10.0254 4.34092 GPRESSAVG: 601000 23.074 0.862261 -12.1312 1.97571 -30.607 -10.2493 -10.1711 -9.06923 4.43954 TIMING: 601000 CPU: 1899.78, 0.00313559/step Wall: 1899.78, 0.00313559/step, 3.83152 hours remaining, 232.867188 MB of memory in use. ENERGY: 601000 3887.1617 20429.4656 14522.3306 245.0023 -203433.1107 2892.6167 0.0000 0.0000 52037.9760 -109418.5578 299.0630 -161456.5337 -109052.9397 298.9837 247.0057 280.7087 761771.7091 -0.8817 -1.0312 PRESSURE: 601200 -269.965 254.348 76.1765 254.348 172.998 -22.9029 76.1759 -22.9036 45.5468 GPRESSURE: 601200 -150.638 217.609 55.6067 192.45 159.703 16.2293 135.515 25.1492 45.5485 PRESSAVG: 601200 19.2404 15.0933 -12.1257 15.0933 20.8639 33.3465 -12.1257 33.3466 -0.343383 GPRESSAVG: 601200 20.3659 15.1394 -13.0942 11.8794 21.0538 33.4657 -10.7624 34.6671 -1.99909 TIMING: 601200 CPU: 1900.4, 0.00312715/step Wall: 1900.4, 0.00312715/step, 3.82103 hours remaining, 232.867188 MB of memory in use. ENERGY: 601200 3957.4615 20456.8050 14531.4892 266.6085 -203131.3803 2559.2402 0.0000 0.0000 51902.8260 -109456.9498 298.2863 -161359.7759 -109100.2922 299.1333 -17.1400 18.2045 760434.1279 13.2537 13.1402 PRESSURE: 601400 137.048 43.2199 28.0534 43.2199 -412.309 -14.3149 28.0539 -14.3158 -112.476 GPRESSURE: 601400 54.8094 -25.5439 143.383 121.594 -231.994 32.746 9.57754 33.7978 -117.736 PRESSAVG: 601400 0.789678 -10.2865 -46.0558 -10.2865 -16.95 -17.771 -46.0559 -17.7711 16.0676 GPRESSAVG: 601400 -0.537787 -9.46541 -45.5077 -7.18009 -16.34 -17.6164 -46.3203 -19.0323 16.9643 TIMING: 601400 CPU: 1901.03, 0.00313496/step Wall: 1901.03, 0.00313496/step, 3.8304 hours remaining, 232.867188 MB of memory in use. ENERGY: 601400 3990.6271 20532.3091 14461.8255 252.9422 -203335.4099 2963.0876 0.0000 0.0000 51835.0492 -109299.5693 297.8967 -161134.6184 -108938.0862 298.2069 -129.2456 -98.3071 762191.8565 -0.0309 0.0288 PRESSURE: 601600 137.159 -207.649 97.4202 -207.65 -171.676 86.1362 97.4199 86.1365 -199.229 GPRESSURE: 601600 108.234 -123.277 158.881 -271.994 -67.2314 157.488 39.8418 -4.23468 -193.033 PRESSAVG: 601600 28.0075 -43.5395 -36.5987 -43.5395 12.7042 5.56864 -36.5987 5.56868 -9.6577 GPRESSAVG: 601600 28.3472 -44.3111 -35.6175 -45.4252 12.4666 3.45111 -38.1262 6.28715 -10.4212 TIMING: 601600 CPU: 1901.65, 0.00311804/step Wall: 1901.65, 0.00311804/step, 3.80955 hours remaining, 232.867188 MB of memory in use. ENERGY: 601600 3946.7126 20532.3666 14485.1369 252.2148 -203312.9348 2627.1178 0.0000 0.0000 52110.4250 -109358.9611 299.4793 -161469.3860 -108993.9591 299.0641 -77.9157 -50.6769 760965.3077 10.3513 10.1309 PRESSURE: 601800 -110.537 -206.774 57.5764 -206.774 136.158 107.387 57.5765 107.387 -204.351 GPRESSURE: 601800 -60.7361 -72.5029 57.8682 -291.644 200.325 109.282 -64.347 189.189 -236.398 PRESSAVG: 601800 6.75836 -67.5094 -16.1561 -67.5094 14.2175 -12.2524 -16.1561 -12.2525 8.66731 GPRESSAVG: 601800 5.38325 -67.1122 -18.2909 -67.8221 15.0463 -11.733 -16.5123 -13.4769 8.91685 TIMING: 601800 CPU: 1902.28, 0.00312294/step Wall: 1902.28, 0.00312294/step, 3.81536 hours remaining, 232.867188 MB of memory in use. ENERGY: 601800 3950.3102 20319.3182 14567.3091 257.8514 -203317.0150 2656.6644 0.0000 0.0000 52465.2881 -109100.2736 301.5187 -161565.5617 -108726.6091 299.0721 -59.5767 -32.2697 763013.4578 9.8811 9.7821 PRESSURE: 602000 -377.787 -38.4852 100.985 -38.4846 -163.317 130.201 100.986 130.201 -237.822 GPRESSURE: 602000 -349.129 -80.7514 46.8242 -35.1747 -148.577 212.876 237.988 19.7888 -197.83 PRESSAVG: 602000 48.2051 -29.4272 -37.6904 -29.4272 12.6252 -3.70607 -37.6904 -3.70603 -3.04962 GPRESSAVG: 602000 48.9824 -31.6443 -35.4936 -27.7998 11.1931 -1.57606 -34.6341 -3.41495 -2.46116 TIMING: 602000 CPU: 1902.91, 0.00315244/step Wall: 1902.91, 0.00315244/step, 3.85124 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: 602000 3929.5380 20544.7594 14521.4891 231.4893 -202791.0947 2464.6614 0.0000 0.0000 52167.4036 -108931.7539 299.8068 -161099.1575 -108572.7374 299.6453 -259.6418 -231.8453 763376.2377 19.2603 19.2381 PRESSURE: 602200 -210.734 -93.5559 -53.3184 -93.5554 -401.433 31.0808 -53.318 31.0809 -644.224 GPRESSURE: 602200 -207.142 -9.27771 -42.3403 -109.661 -314.997 164.409 73.1466 -16.7395 -640.098 PRESSAVG: 602200 22.9318 -9.06106 -11.5116 -9.06112 -11.5727 -12.7985 -11.5116 -12.7985 6.01597 GPRESSAVG: 602200 23.4714 -8.21026 -12.9559 -10.9134 -10.9243 -14.9449 -12.315 -14.5089 4.85943 TIMING: 602200 CPU: 1903.54, 0.00314206/step Wall: 1903.54, 0.00314206/step, 3.83838 hours remaining, 232.867188 MB of memory in use. ENERGY: 602200 3927.0486 20665.6516 14484.4296 258.1973 -202833.6611 2467.7941 0.0000 0.0000 51943.3147 -109087.2253 298.5189 -161030.5399 -108727.6232 299.1706 -418.7969 -387.4124 763058.7743 5.7917 5.8022 PRESSURE: 602400 75.0133 -64.1076 -98.383 -64.1066 -208.231 -135.136 -98.3826 -135.135 -25.0062 GPRESSURE: 602400 58.9008 58.9131 27.1806 -55.0847 -104.742 -54.6503 -143.268 -148.078 -33.3244 PRESSAVG: 602400 -13.1237 3.40544 -27.0443 3.4055 28.4974 53.3665 -27.0442 53.3666 0.0399434 GPRESSAVG: 602400 -13.5325 3.21881 -26.5078 5.56891 28.0481 55.7695 -27.1161 53.6988 1.06501 TIMING: 602400 CPU: 1904.16, 0.0031401/step Wall: 1904.16, 0.0031401/step, 3.8358 hours remaining, 232.867188 MB of memory in use. ENERGY: 602400 3929.3372 20548.4669 14547.8650 252.8389 -203307.8032 2896.9511 0.0000 0.0000 52037.8750 -109094.4691 299.0624 -161132.3441 -108736.4806 299.4789 -52.7415 -26.3886 763383.4734 5.1379 5.1935 PRESSURE: 602600 138.155 22.1775 1.67375 22.1776 67.557 128.719 1.67348 128.72 552.528 GPRESSURE: 602600 163.542 7.30131 27.8298 -29.4943 196.739 -7.7979 -149.92 34.6414 482.609 PRESSAVG: 602600 10.3734 61.754 -50.6013 61.7539 -8.72479 -44.2513 -50.6013 -44.2513 2.07428 GPRESSAVG: 602600 10.4272 60.6052 -50.0762 59.6446 -8.83641 -46.9565 -51.1545 -42.8838 1.87467 TIMING: 602600 CPU: 1904.79, 0.00312083/step Wall: 1904.79, 0.00312083/step, 3.8121 hours remaining, 232.867188 MB of memory in use. ENERGY: 602600 3938.3642 20654.0788 14511.3690 251.8488 -203224.1898 2868.4132 0.0000 0.0000 51723.8592 -109276.2567 297.2577 -161000.1159 -108907.3675 298.8920 252.7467 280.9635 761916.7443 1.2410 1.1552 PRESSURE: 602800 150.185 113.804 79.0293 113.804 -91.0678 -85.214 79.0305 -85.2138 286.454 GPRESSURE: 602800 183.518 203.227 12.798 243.963 -37.1851 -30.7403 65.7602 -26.4045 291.56 PRESSAVG: 602800 29.8398 -2.24257 -36.1158 -2.24251 -37.2089 -17.8899 -36.1158 -17.8898 5.86513 GPRESSAVG: 602800 29.6949 -0.503697 -36.0607 -2.91201 -36.6823 -15.4571 -36.8732 -20.312 5.64231 TIMING: 602800 CPU: 1905.41, 0.00312504/step Wall: 1905.41, 0.00312504/step, 3.81706 hours remaining, 232.867188 MB of memory in use. ENERGY: 602800 3950.1970 20654.9088 14449.6588 257.3027 -203302.1689 2837.4171 0.0000 0.0000 51823.4587 -109329.2257 297.8301 -161152.6844 -108968.4910 298.8525 115.1905 145.9644 762652.6165 -0.5013 -0.4484 PRESSURE: 603000 -219.96 94.8011 36.2888 94.8009 -78.8549 -101 36.2897 -101 426.404 GPRESSURE: 603000 -107.316 -60.9018 -19.2301 12.9487 -157.004 -155.038 -1.08948 -54.3974 457.149 PRESSAVG: 603000 52.2019 -25.8297 -11.2938 -25.8296 -51.2775 -62.2407 -11.2938 -62.2407 10.323 GPRESSAVG: 603000 52.8902 -29.0073 -11.1176 -25.1884 -51.3625 -61.4869 -12.9776 -61.1633 9.97509 TIMING: 603000 CPU: 1906.04, 0.00313151/step Wall: 1906.04, 0.00313151/step, 3.8248 hours remaining, 232.867188 MB of memory in use. ENERGY: 603000 3995.1490 20636.7310 14458.2704 260.8507 -203054.1893 2465.5209 0.0000 0.0000 51790.2049 -109447.4623 297.6390 -161237.6672 -109102.0574 298.4231 42.5296 64.2765 762096.3900 3.7491 3.8343 PRESSURE: 603200 184.136 155.156 371.467 155.156 109.055 -132.012 371.467 -132.012 -434.384 GPRESSURE: 603200 172.836 273.063 367.52 118.761 165.732 -84.2717 359.869 -215.285 -403.968 PRESSAVG: 603200 54.8844 4.83127 -18.064 4.83121 -27.8325 10.4248 -18.064 10.4248 -22.6095 GPRESSAVG: 603200 54.2434 6.77773 -18.1134 6.12473 -27.7007 9.80036 -17.3638 11.4586 -22.0383 TIMING: 603200 CPU: 1906.67, 0.00313152/step Wall: 1906.67, 0.00313152/step, 3.82463 hours remaining, 232.867188 MB of memory in use. ENERGY: 603200 3989.5701 20378.3519 14491.6387 262.4130 -203639.7509 3151.4320 0.0000 0.0000 51677.5979 -109688.7473 296.9919 -161366.3452 -109328.5557 298.0934 -47.0644 -21.8002 763126.0288 1.4808 1.5015 PRESSURE: 603400 89.8928 91.311 92.1812 91.3113 -343.367 22.2045 92.1811 22.2051 -83.7624 GPRESSURE: 603400 139.925 63.3719 5.44933 -0.2095 -331.037 150.549 -32.5899 133.01 -57.5813 PRESSAVG: 603400 70.3807 30.5612 32.3686 30.5612 -41.828 14.2678 32.3686 14.2678 4.47698 GPRESSAVG: 603400 70.9297 29.1906 32.36 29.5537 -42.8963 14.8044 33.2218 15.4256 4.6227 TIMING: 603400 CPU: 1907.29, 0.00311791/step Wall: 1907.29, 0.00311791/step, 3.80783 hours remaining, 232.867188 MB of memory in use. ENERGY: 603400 3910.6318 20303.0444 14443.3315 248.4366 -202865.1094 2550.6050 0.0000 0.0000 51795.3323 -109613.7279 297.6685 -161409.0602 -109255.8346 298.4312 -112.4123 -82.8978 763599.9568 11.0099 10.8854 PRESSURE: 603600 124.166 105.235 52.6768 105.235 -265.006 35.9506 52.6764 35.9512 176.276 GPRESSURE: 603600 142.849 129.221 106.443 117.125 -193.801 42.6624 1.38411 64.2259 158.038 PRESSAVG: 603600 20.9266 48.0502 -43.3121 48.0502 2.88854 13.9054 -43.3122 13.9053 31.523 GPRESSAVG: 603600 19.9137 46.1922 -43.3158 51.8889 4.32101 14.3206 -45.207 12.6746 30.2717 TIMING: 603600 CPU: 1907.91, 0.00310337/step Wall: 1907.91, 0.00310337/step, 3.7899 hours remaining, 232.867188 MB of memory in use. ENERGY: 603600 3903.1257 20369.9297 14551.2270 258.6359 -203176.6463 2561.3201 0.0000 0.0000 52117.1031 -109415.3048 299.5177 -161532.4079 -109050.6701 298.9143 11.8120 35.6954 761800.3386 18.4460 18.1688 PRESSURE: 603800 130.913 -128.71 -77.1976 -128.709 -7.22457 129.948 -77.1974 129.948 85.3951 GPRESSURE: 603800 212.265 -102.856 -80.8617 5.14506 2.44667 119.331 -92.6083 151.152 96.6049 PRESSAVG: 603800 33.6571 28.6082 -80.8505 28.6082 -36.1689 17.2525 -80.8506 17.2524 2.86515 GPRESSAVG: 603800 33.7741 31.6544 -81.8513 24.4848 -36.9303 16.1818 -79.5357 16.4331 3.5546 TIMING: 603800 CPU: 1908.54, 0.0031329/step Wall: 1908.54, 0.0031329/step, 3.82579 hours remaining, 232.867188 MB of memory in use. ENERGY: 603800 4003.0069 20521.8079 14458.2482 241.7705 -203466.9541 2828.9741 0.0000 0.0000 52133.3208 -109279.8257 299.6109 -161413.1465 -108920.1128 299.6230 69.6946 103.7722 761828.7042 0.1178 0.1328 PRESSURE: 604000 70.8049 129.459 -205.783 129.458 -98.4869 111.455 -205.783 111.455 -184.064 GPRESSURE: 604000 -11.6019 217.93 -188.167 44.6137 -68.2956 148.542 -203.927 111.785 -64.4061 PRESSAVG: 604000 45.0904 2.23236 -32.213 2.23243 -29.0651 -35.3924 -32.213 -35.3924 -15.8647 GPRESSAVG: 604000 44.5346 3.29419 -30.1937 3.35814 -29.943 -35.9479 -32.2447 -34.9542 -15.16 TIMING: 604000 CPU: 1909.16, 0.00313807/step Wall: 1909.16, 0.00313807/step, 3.83193 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: 604000 3974.9665 20240.3780 14589.2754 260.5984 -203202.8432 2633.2316 0.0000 0.0000 51965.9960 -109538.3972 298.6493 -161504.3932 -109178.8312 299.1678 -70.5822 -48.1012 761271.7648 0.0535 -0.1895 PRESSURE: 604200 -320.906 -120.72 -68.7049 -120.72 -222.856 -76.039 -68.704 -76.0387 -302.953 GPRESSURE: 604200 -262.101 -170.194 -43.0803 -168.857 -119.261 -50.1998 -99.3411 -89.403 -379.073 PRESSAVG: 604200 33.6787 20.7808 -80.7416 20.7809 -0.835494 15.94 -80.7415 15.9401 4.1293 GPRESSAVG: 604200 34.2747 17.2188 -81.272 22.5296 -0.354519 15.4845 -80.9772 17.6393 2.98535 TIMING: 604200 CPU: 1909.8, 0.00316226/step Wall: 1909.8, 0.00316226/step, 3.86129 hours remaining, 232.867188 MB of memory in use. ENERGY: 604200 3921.5075 20290.3772 14526.9617 242.0185 -203561.8722 2722.7501 0.0000 0.0000 52007.9883 -109850.2688 298.8906 -161858.2572 -109487.2963 298.4043 -282.2384 -253.4785 758628.8101 12.3242 12.3018 LDB: ============= START OF LOAD BALANCING ============== 1922.33 LDB: ============== END OF LOAD BALANCING =============== 1922.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1922.33 LDB: ============= START OF LOAD BALANCING ============== 1922.65 LDB: Largest compute 7050 load 0.030651 is 15.7% of average load 0.195355 LDB: Average compute 0.004349 is 2.2% of average load 0.195355 LDB: TIME 1922.65 LOAD: AVG 0.195355 MAX 0.211897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.148 MB LDB: TIME 1922.65 LOAD: AVG 0.195355 MAX 0.211897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: TIME 1922.65 LOAD: AVG 0.195355 MAX 0.211897 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: ============== END OF LOAD BALANCING =============== 1922.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1922.66 PRESSURE: 604400 -210.672 -40.0565 -13.3596 -40.0561 1.66544 -59.758 -13.3601 -59.7586 -107.775 GPRESSURE: 604400 -151.339 -37.565 -25.005 28.091 34.837 -133.61 66.577 29.9253 -122.796 PRESSAVG: 604400 1.73022 1.77709 -22.3866 1.77713 41.218 -62.9254 -22.3866 -62.9253 3.24921 GPRESSAVG: 604400 1.96984 2.68965 -24.8512 1.52231 40.7302 -62.3905 -20.4924 -63.7534 4.01591 TIMING: 604400 CPU: 1910.44, 0.00322428/step Wall: 1910.44, 0.00322427/step, 3.93684 hours remaining, 233.695312 MB of memory in use. ENERGY: 604400 3984.4551 20126.4553 14456.8721 250.9658 -202995.0153 2343.0352 0.0000 0.0000 51894.1965 -109939.0353 298.2367 -161833.2318 -109584.9018 297.5765 -105.5938 -79.7659 761648.8859 15.3991 15.5720 PRESSURE: 604600 89.032 -57.5708 119.357 -57.5705 -195.272 -3.1217 119.357 -3.12169 -553.777 GPRESSURE: 604600 66.4308 5.53385 155.687 -12.3036 -114.185 35.5615 120.299 -47.1098 -527.115 PRESSAVG: 604600 49.2957 54.0666 55.2117 54.0666 -15.5307 2.58051 55.2117 2.58057 11.3775 GPRESSAVG: 604600 49.2396 54.6336 56.2793 52.8848 -13.8065 3.16886 52.7657 1.78343 9.50093 TIMING: 604600 CPU: 1911.07, 0.00313546/step Wall: 1911.07, 0.00313546/step, 3.82823 hours remaining, 233.695312 MB of memory in use. ENERGY: 604600 3983.4687 20252.3574 14458.6015 246.3311 -203460.4713 2449.2410 0.0000 0.0000 52177.7142 -109892.7574 299.8660 -162070.4715 -109535.8613 297.7931 -220.0055 -191.6231 761671.6189 15.0475 14.9780 PRESSURE: 604800 124.41 -30.8257 280.892 -30.8261 -77.7851 155.163 280.892 155.163 -143.305 GPRESSURE: 604800 140.528 -4.7526 258.75 -54.5309 -60.5008 163.463 214.004 231.632 -87.8195 PRESSAVG: 604800 -19.5479 6.86581 0.00517576 6.86587 -1.87864 44.6623 0.00517017 44.6622 -3.7216 GPRESSAVG: 604800 -20.5683 6.36961 2.19492 7.49089 -2.11282 45.3357 1.3997 44.4829 -2.65303 TIMING: 604800 CPU: 1911.69, 0.00312704/step Wall: 1911.69, 0.00312704/step, 3.81776 hours remaining, 233.695312 MB of memory in use. ENERGY: 604800 3975.1488 20429.8639 14459.8526 254.7248 -203827.6123 2813.9636 0.0000 0.0000 51743.9026 -110150.1560 297.3729 -161894.0586 -109790.1197 297.2838 -32.2266 -2.5975 761364.8338 -8.3827 -8.4447 PRESSURE: 605000 -130.837 185.779 32.0702 185.78 -116.56 -55.5128 32.0694 -55.5133 -198.42 GPRESSURE: 605000 -63.2305 159.522 81.4897 144.581 -121.939 -119.528 -19.5884 -82.7004 -197.276 PRESSAVG: 605000 -25.7004 46.0684 -15.152 46.0684 16.1357 57.1409 -15.152 57.1409 10.145 GPRESSAVG: 605000 -25.0377 45.8454 -16.4459 44.5948 15.3556 55.7006 -16.892 57.1093 9.72946 TIMING: 605000 CPU: 1912.32, 0.00313957/step Wall: 1912.32, 0.00313957/step, 3.83289 hours remaining, 233.695312 MB of memory in use. ENERGY: 605000 4016.4408 20340.3160 14491.2496 235.7065 -203619.9707 2752.3164 0.0000 0.0000 51703.2850 -110080.6565 297.1395 -161783.9415 -109728.4583 296.9453 -148.6055 -127.4818 762756.2242 0.1935 0.0158 PRESSURE: 605200 -167.768 -61.9227 -99.5023 -61.9223 218.271 -77.6153 -99.5018 -77.6145 431.562 GPRESSURE: 605200 -39.9216 -28.0829 -56.6423 -52.4991 136.731 7.16535 16.9693 -46.3617 458.811 PRESSAVG: 605200 14.1984 15.7201 2.56547 15.7201 2.51218 17.8174 2.56544 17.8174 -18.4578 GPRESSAVG: 605200 13.2571 15.6829 2.37142 16.0673 2.04965 19.6657 2.61485 17.85 -17.788 TIMING: 605200 CPU: 1912.95, 0.00313625/step Wall: 1912.95, 0.00313625/step, 3.82866 hours remaining, 233.695312 MB of memory in use. ENERGY: 605200 4021.4593 20394.4254 14435.8180 254.1920 -203559.7722 2765.8953 0.0000 0.0000 51618.7589 -110069.2234 296.6537 -161687.9823 -109715.5075 297.7613 160.6882 185.2070 762123.4948 -0.5824 -0.8271 PRESSURE: 605400 2.20075 -247.499 40.9347 -247.499 -79.6706 133.522 40.9343 133.522 144.091 GPRESSURE: 605400 -5.67735 -140.605 94.9157 -206.719 -50.5783 137.082 -13.3375 78.9025 191.762 PRESSAVG: 605400 -22.0835 -18.9227 13.6443 -18.9227 48.8594 -17.0057 13.6443 -17.0057 -10.2604 GPRESSAVG: 605400 -20.7937 -19.6915 13.0484 -18.4874 47.4899 -17.9961 15.085 -18.1054 -10.5737 TIMING: 605400 CPU: 1913.57, 0.00312134/step Wall: 1913.57, 0.00312134/step, 3.81029 hours remaining, 233.695312 MB of memory in use. ENERGY: 605400 4045.2936 20409.9610 14515.4217 241.0948 -203596.8959 2487.5036 0.0000 0.0000 51778.2399 -110119.3812 297.5703 -161897.6211 -109759.8038 297.6398 22.2071 45.1688 760018.4374 5.5051 5.3742 PRESSURE: 605600 -98.2885 -193.776 393.546 -193.776 7.78351 205.295 393.546 205.295 41.7509 GPRESSURE: 605600 -89.4279 -89.9906 347.113 -261.462 65.4429 192.587 354.222 176.888 66.1132 PRESSAVG: 605600 -15.946 -72.2886 20.6252 -72.2886 3.33322 42.4977 20.6253 42.4977 22.8953 GPRESSAVG: 605600 -16.1768 -70.4405 20.8021 -72.052 4.87349 44.0725 19.9225 42.6709 22.1365 TIMING: 605600 CPU: 1914.2, 0.00314402/step Wall: 1914.2, 0.00314402/step, 3.8378 hours remaining, 233.695312 MB of memory in use. ENERGY: 605600 4011.1452 20277.2483 14459.8588 260.8729 -203590.7093 2680.0886 0.0000 0.0000 52026.8188 -109874.6767 298.9988 -161901.4955 -109516.1707 297.9728 -16.2514 14.0428 759890.5621 3.4275 3.6111 PRESSURE: 605800 83.0501 40.1117 53.352 40.1112 197.319 -137.962 53.3516 -137.963 9.52207 GPRESSURE: 605800 141.133 63.6389 71.2616 46.4987 303.845 -112.446 -11.96 -83.2874 -66.3404 PRESSAVG: 605800 51.9358 7.54568 22.1335 7.54574 -56.2661 9.63186 22.1336 9.63187 3.93208 GPRESSAVG: 605800 51.3322 8.11196 21.4177 5.27956 -57.1867 7.88048 21.2155 10.6755 4.97529 TIMING: 605800 CPU: 1914.83, 0.00313774/step Wall: 1914.83, 0.00313774/step, 3.82996 hours remaining, 233.695312 MB of memory in use. ENERGY: 605800 3946.8692 20359.3400 14523.0132 247.9624 -203491.0178 2911.4639 0.0000 0.0000 51845.9140 -109656.4552 297.9592 -161502.3692 -109305.7155 297.7511 96.6302 126.2128 761608.6500 -0.1327 -0.2931 PRESSURE: 606000 53.3421 -83.3672 -61.3541 -83.3677 219.402 -104.271 -61.3541 -104.271 277.629 GPRESSURE: 606000 186.732 -174.827 -10.0064 146.154 193.483 -96.297 -148.579 -73.257 239.923 PRESSAVG: 606000 -18.0538 -7.3294 -11.1459 -7.32936 10.9176 15.5135 -11.1459 15.5135 -41.8705 GPRESSAVG: 606000 -17.3003 -10.4779 -10.3536 -5.08901 10.2773 15.7876 -8.99075 16.1675 -42.4513 TIMING: 606000 CPU: 1915.46, 0.00314471/step Wall: 1915.46, 0.00314471/step, 3.83829 hours remaining, 233.695312 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: 606000 3982.5663 20566.9461 14378.2414 256.1189 -203617.8970 3001.2044 0.0000 0.0000 51814.9416 -109617.8783 297.7812 -161432.8199 -109258.5762 298.7535 183.4579 206.7130 760639.7274 -16.3356 -16.4914 PRESSURE: 606200 -158.39 35.422 -92.8718 35.4218 -344.206 -49.6415 -92.8726 -49.6418 -221.57 GPRESSURE: 606200 -194.68 18.8612 -94.0282 28.3748 -326.205 -155.797 -239.821 20.9625 -130.875 PRESSAVG: 606200 14.3259 -56.9407 16.3996 -56.9408 27.6382 38.6112 16.3997 38.6113 22.3076 GPRESSAVG: 606200 13.9278 -55.6281 17.205 -58.6516 28.1596 38.0344 13.9377 39.6228 22.6793 TIMING: 606200 CPU: 1916.08, 0.00312442/step Wall: 1916.08, 0.00312442/step, 3.81336 hours remaining, 233.695312 MB of memory in use. ENERGY: 606200 4034.0689 20490.3432 14454.3606 256.6992 -202813.5496 2086.7782 0.0000 0.0000 51812.0396 -109679.2599 297.7645 -161491.2995 -109324.3097 298.5222 -241.3888 -217.2534 762565.5879 21.4239 21.5889 PRESSURE: 606400 -16.978 73.2522 98.6348 73.2526 -91.8823 86.2709 98.635 86.2702 -301.981 GPRESSURE: 606400 -50.3571 76.2015 7.73586 101.044 -6.80779 118.561 66.5826 -52.6695 -279.965 PRESSAVG: 606400 19.8727 -32.0511 -12.5476 -32.0511 -17.0674 -9.32845 -12.5476 -9.32852 -8.02877 GPRESSAVG: 606400 18.0621 -31.1756 -13.394 -31.6049 -14.9976 -8.19369 -12.528 -10.4591 -8.13582 TIMING: 606400 CPU: 1916.71, 0.00310963/step Wall: 1916.71, 0.00310963/step, 3.79513 hours remaining, 233.695312 MB of memory in use. ENERGY: 606400 4025.6071 20510.0505 14475.3441 235.0166 -203180.4932 2593.9741 0.0000 0.0000 51770.6749 -109569.8258 297.5268 -161340.5007 -109202.9093 298.6562 -136.9471 -112.3766 763640.9564 -1.7412 -1.6904 PRESSURE: 606600 -291.78 26.0686 68.7104 26.0694 -213.658 -133.302 68.7094 -133.302 -276.261 GPRESSURE: 606600 -217.844 59.7602 13.4305 2.48787 -192.284 -93.6282 247.907 -102.776 -297.663 PRESSAVG: 606600 -36.6123 -27.2108 -45.8764 -27.2109 10.8475 29.7149 -45.8764 29.715 -9.32959 GPRESSAVG: 606600 -35.3116 -28.6857 -45.2853 -26.4673 10.9149 28.8371 -44.4097 29.1143 -10.3344 TIMING: 606600 CPU: 1917.33, 0.00312846/step Wall: 1917.33, 0.00312846/step, 3.81793 hours remaining, 233.695312 MB of memory in use. ENERGY: 606600 4051.1251 20543.3128 14493.4193 230.0085 -203056.7167 2392.8461 0.0000 0.0000 51800.2943 -109545.7106 297.6970 -161346.0049 -109189.5017 298.4648 -260.5661 -235.9302 762518.9891 -11.6982 -11.5770 PRESSURE: 606800 -447.048 -9.93896 31.3283 -9.9388 7.60114 -131.775 31.3286 -131.776 -528.431 GPRESSURE: 606800 -344.126 -91.6178 20.1293 -67.5595 -102.409 -162.45 78.9898 -71.3434 -426.229 PRESSAVG: 606800 33.523 -28.0874 -21.8672 -28.0875 -96.3141 3.31018 -21.8672 3.31024 -15.9384 GPRESSAVG: 606800 34.4606 -26.1176 -21.119 -27.9902 -98.4243 4.01903 -21.1319 3.70951 -14.355 TIMING: 606800 CPU: 1917.96, 0.00312631/step Wall: 1917.96, 0.00312631/step, 3.81514 hours remaining, 233.695312 MB of memory in use. ENERGY: 606800 4004.3011 20381.2097 14472.1908 254.3715 -203382.2092 2615.1279 0.0000 0.0000 51946.8247 -109708.1836 298.5391 -161655.0082 -109359.9868 298.1458 -322.6258 -290.9215 761489.2983 -26.2432 -26.1062 PRESSURE: 607000 -576.771 160.448 258.1 160.448 -209.074 224.857 258.1 224.857 -357.94 GPRESSURE: 607000 -541.471 59.05 277.847 154.039 -105.649 178.976 186.808 175.733 -400.436 PRESSAVG: 607000 8.51357 -1.66585 -26.3964 -1.66577 -16.9231 -39.6791 -26.3963 -39.679 1.87006 GPRESSAVG: 607000 9.49328 -3.79082 -27.6625 -1.70285 -15.7119 -39.6552 -28.4188 -41.7662 -0.459184 TIMING: 607000 CPU: 1918.58, 0.00312628/step Wall: 1918.58, 0.00312628/step, 3.81493 hours remaining, 233.695312 MB of memory in use. ENERGY: 607000 4075.7920 20406.3939 14547.0814 238.5716 -203414.7411 2538.2773 0.0000 0.0000 51734.5324 -109874.0925 297.3191 -161608.6250 -109519.8736 297.5765 -381.2618 -349.1852 762483.2227 -2.1798 -2.2259 PRESSURE: 607200 279.183 -0.211201 -16.3096 -0.211197 202.489 211.328 -16.3098 211.328 242.318 GPRESSURE: 607200 271.069 -35.1352 34.3187 -81.1055 246.361 210.756 -70.3506 189.266 282.832 PRESSAVG: 607200 4.35042 -17.9972 7.66299 -17.9972 44.196 -15.9509 7.66303 -15.9509 -0.12292 GPRESSAVG: 607200 3.43858 -17.2539 7.05126 -18.1462 43.5369 -14.8911 5.93387 -14.4807 1.60258 TIMING: 607200 CPU: 1919.21, 0.00313177/step Wall: 1919.21, 0.00313177/step, 3.82146 hours remaining, 233.695312 MB of memory in use. ENERGY: 607200 3952.1764 20558.7847 14457.3111 253.1909 -203686.9629 3043.2455 0.0000 0.0000 51538.7481 -109883.5064 296.1939 -161422.2544 -109534.4213 298.0637 241.3296 266.7540 761000.8071 16.1412 16.1927 PRESSURE: 607400 -111.934 -76.3468 107.524 -76.3477 -159.277 216.896 107.524 216.896 103.539 GPRESSURE: 607400 -117.733 2.95823 -32.1499 32.405 -44.36 144.619 80.1872 93.0741 89.0829 PRESSAVG: 607400 6.36859 49.592 -18.8595 49.592 16.6504 20.4307 -18.8595 20.4308 3.08077 GPRESSAVG: 607400 6.82553 48.7569 -19.813 50.7239 16.7851 18.3021 -15.4526 19.1491 2.0906 TIMING: 607400 CPU: 1919.84, 0.00315638/step Wall: 1919.84, 0.00315638/step, 3.85131 hours remaining, 233.695312 MB of memory in use. ENERGY: 607400 3979.6702 20521.3096 14462.8616 258.7906 -203892.4663 2929.7537 0.0000 0.0000 51881.5993 -109858.4813 298.1643 -161740.0805 -109515.2837 297.9013 -55.8907 -24.3366 760857.9584 8.6999 8.5671 PRESSURE: 607600 104.678 81.1722 -147.71 81.1722 52.3465 -160.524 -147.71 -160.523 -94.1337 GPRESSURE: 607600 90.5608 57.0006 -97.3057 -30.9148 165.637 -267.307 4.48984 -99.6047 -116.771 PRESSAVG: 607600 -25.0368 -9.5549 -8.58295 -9.55492 41.108 -44.2119 -8.58293 -44.2119 17.093 GPRESSAVG: 607600 -24.8148 -9.33111 -6.78587 -11.0893 40.6 -45.4784 -9.88485 -43.489 17.1391 TIMING: 607600 CPU: 1920.47, 0.00314987/step Wall: 1920.47, 0.00314987/step, 3.84319 hours remaining, 233.695312 MB of memory in use. ENERGY: 607600 3872.6441 20499.5839 14495.2012 262.0967 -203796.2631 2891.1664 0.0000 0.0000 51998.7566 -109776.8141 298.8376 -161775.5707 -109411.5421 298.0548 20.9637 46.4756 761903.9729 11.0547 10.9748 PRESSURE: 607800 -91.6943 -39.5716 -34.7343 -39.571 -193.016 136.617 -34.7346 136.617 -109.506 GPRESSURE: 607800 -60.1243 57.7882 39.1961 -13.5598 -27.7898 67.5452 -46.1006 173.19 -220.573 PRESSAVG: 607800 -61.9212 25.8349 46.8451 25.8349 28.6517 -4.66087 46.845 -4.661 -0.911726 GPRESSAVG: 607800 -62.3701 25.8538 49.3051 27.4046 29.2669 -2.89524 48.0557 -2.51479 -1.18398 TIMING: 607800 CPU: 1921.1, 0.00312831/step Wall: 1921.1, 0.00312831/step, 3.81671 hours remaining, 233.695312 MB of memory in use. ENERGY: 607800 3985.6716 20500.3024 14477.1896 246.5099 -203546.7360 2725.4563 0.0000 0.0000 51935.5687 -109676.0374 298.4744 -161611.6061 -109314.2913 298.0071 -131.4054 -102.8290 762754.0031 -11.3938 -11.4291 PRESSURE: 608000 -48.4452 32.8893 -63.4581 32.8894 188.42 84.0889 -63.4587 84.0878 87.1419 GPRESSURE: 608000 -13.0361 44.3874 9.48912 67.922 156.058 69.5273 -185.23 45.5034 142.616 PRESSAVG: 608000 10.6 -3.5015 33.6731 -3.50146 16.5472 17.6961 33.6731 17.6961 -25.5234 GPRESSAVG: 608000 10.3882 -1.58698 30.9174 -4.63706 15.4081 17.3338 31.6696 15.3075 -24.4295 TIMING: 608000 CPU: 1921.73, 0.00315633/step Wall: 1921.73, 0.00315633/step, 3.85073 hours remaining, 233.695312 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: 608000 3950.9455 20474.1630 14486.0118 252.6612 -203710.3535 2872.6972 0.0000 0.0000 52195.8154 -109478.0595 299.9701 -161673.8749 -109122.1782 298.4407 75.7055 95.2125 762192.7746 0.5413 0.4556 PRESSURE: 608200 -70.572 23.045 309.127 23.0454 266.591 179.751 309.126 179.75 27.1216 GPRESSURE: 608200 1.86587 45.8597 258.342 -139.033 271.97 116.248 250.971 150.54 25.3948 PRESSAVG: 608200 -35.825 30.3565 35.2715 30.3565 22.803 4.1172 35.2715 4.11721 5.76742 GPRESSAVG: 608200 -35.9775 26.9265 35.8768 32.1065 22.2797 2.68997 34.9586 5.01312 5.93246 TIMING: 608200 CPU: 1922.35, 0.00312487/step Wall: 1922.35, 0.00312487/step, 3.81217 hours remaining, 233.695312 MB of memory in use. ENERGY: 608200 3918.3464 20489.3654 14458.0460 247.7605 -203103.5825 2639.0889 0.0000 0.0000 51923.5045 -109427.4707 298.4051 -161350.9753 -109068.7114 298.9165 74.3803 99.7434 763177.1219 -2.4182 -2.5884 LDB: ============= START OF LOAD BALANCING ============== 1934.88 LDB: ============== END OF LOAD BALANCING =============== 1934.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1934.88 LDB: ============= START OF LOAD BALANCING ============== 1935.2 LDB: Largest compute 7026 load 0.030058 is 15.4% of average load 0.195270 LDB: Average compute 0.004379 is 2.2% of average load 0.195270 LDB: TIME 1935.2 LOAD: AVG 0.19527 MAX 0.211508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.332 MB LDB: TIME 1935.2 LOAD: AVG 0.19527 MAX 0.211508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: TIME 1935.2 LOAD: AVG 0.19527 MAX 0.211508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.426 MB LDB: ============== END OF LOAD BALANCING =============== 1935.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1935.21 PRESSURE: 608400 171.445 119.915 -284.663 119.915 89.4791 182.469 -284.662 182.469 -305.947 GPRESSURE: 608400 171.719 68.1169 -258.523 156.186 24.5719 182.043 -137.512 184.099 -152.17 PRESSAVG: 608400 -22.2785 14.7496 5.28831 14.7496 41.2286 -61.8945 5.28832 -61.8945 -1.34765 GPRESSAVG: 608400 -23.5289 18.2541 3.7321 14.8865 43.5206 -60.0369 5.32941 -63.6179 -2.10904 TIMING: 608400 CPU: 1922.99, 0.0032131/step Wall: 1922.99, 0.00321309/step, 3.91962 hours remaining, 234.265625 MB of memory in use. ENERGY: 608400 4031.9021 20358.7018 14350.1382 248.5340 -203661.5335 3022.1035 0.0000 0.0000 52062.6854 -109587.4685 299.2050 -161650.1539 -109225.8271 298.5738 -15.0076 14.7070 762890.1295 5.8675 5.9609 PRESSURE: 608600 -179.693 138.668 -106.5 138.668 -196.556 40.45 -106.501 40.4513 -12.4851 GPRESSURE: 608600 -156.289 185.414 -96.2654 50.3639 -169.837 27.0938 23.6406 29.0604 15.0543 PRESSAVG: 608600 -15.6931 -8.90802 -7.9009 -8.90801 -7.15048 7.57446 -7.90097 7.57457 -21.0256 GPRESSAVG: 608600 -14.1819 -9.02211 -5.78557 -9.87233 -8.20829 7.01411 -6.80485 8.71072 -21.1855 TIMING: 608600 CPU: 1923.62, 0.00312339/step Wall: 1923.62, 0.00312339/step, 3.81002 hours remaining, 234.335938 MB of memory in use. ENERGY: 608600 3956.3709 20519.8635 14399.9098 237.2465 -203622.6359 2799.9576 0.0000 0.0000 51958.8505 -109750.4372 298.6082 -161709.2877 -109391.2497 298.1933 -129.5780 -103.6907 764086.2483 -14.6231 -14.5252 PRESSURE: 608800 -602.493 90.8246 45.0031 90.8254 207.929 19.9791 45.0041 19.9783 7.54762 GPRESSURE: 608800 -473.621 154.89 13.4698 69.9229 181.065 47.2335 -5.88609 -15.8156 -1.33543 PRESSAVG: 608800 -67.3668 -10.6994 -76.4693 -10.6994 91.5532 -15.3949 -76.4692 -15.3949 21.5797 GPRESSAVG: 608800 -67.473 -11.0794 -75.6812 -9.86511 91.9172 -15.1594 -76.2941 -16.6835 21.7496 TIMING: 608800 CPU: 1924.25, 0.00314517/step Wall: 1924.25, 0.00314517/step, 3.83641 hours remaining, 234.335938 MB of memory in use. ENERGY: 608800 3922.3564 20476.1907 14430.6987 250.0174 -203438.3247 2776.5603 0.0000 0.0000 51841.8286 -109740.6725 297.9357 -161582.5011 -109380.3810 297.7206 -129.0054 -97.9637 762411.8039 15.2553 15.3979 PRESSURE: 609000 61.2522 -96.6735 -197.189 -96.6729 216.362 -113.588 -197.19 -113.589 188.895 GPRESSURE: 609000 52.5921 23.0873 -178.412 -147.596 294.255 -15.7859 -118.896 -239.546 209.827 PRESSAVG: 609000 15.0148 18.5204 -5.38012 18.5204 -38.3971 -20.9795 -5.38012 -20.9795 -4.5474 GPRESSAVG: 609000 15.6248 19.5657 -7.72902 17.5791 -38.3084 -20.6027 -4.81565 -20.6269 -5.53531 TIMING: 609000 CPU: 1924.88, 0.00314465/step Wall: 1924.88, 0.00314465/step, 3.8356 hours remaining, 234.335938 MB of memory in use. ENERGY: 609000 3982.0341 20465.8968 14471.3653 243.5485 -203576.0098 3044.8706 0.0000 0.0000 51872.6128 -109495.6818 298.1126 -161368.2946 -109136.8922 298.2001 155.5028 185.5582 762121.3506 -9.3099 -9.4063 PRESSURE: 609200 115.529 106.196 -38.1457 106.195 -280.186 108.081 -38.1456 108.081 -38.5097 GPRESSURE: 609200 81.5064 -52.8503 -2.14188 -10.7583 -224.47 65.4406 -17.3046 12.5935 16.5388 PRESSAVG: 609200 3.71228 -35.3609 2.95742 -35.3608 -17.0222 57.4994 2.95749 57.4994 -14.5217 GPRESSAVG: 609200 2.68679 -37.4274 3.21676 -34.1618 -18.22 57.0266 0.469201 56.1259 -12.9686 TIMING: 609200 CPU: 1925.5, 0.00312311/step Wall: 1925.5, 0.00312311/step, 3.80916 hours remaining, 234.335938 MB of memory in use. ENERGY: 609200 4022.8463 20529.8700 14382.0404 261.3314 -202940.6285 2328.1996 0.0000 0.0000 51786.1804 -109630.1605 297.6159 -161416.3409 -109280.7218 298.0878 -67.7222 -42.1415 761348.9770 -9.2772 -9.5006 PRESSURE: 609400 -140.854 51.4787 -149.416 51.4783 -344.249 46.0162 -149.415 46.017 -410.82 GPRESSURE: 609400 -148.85 74.3846 -91.8108 -14.6219 -225.082 38.6143 -102.043 -68.0899 -427.023 PRESSAVG: 609400 19.0895 45.6454 -13.9791 45.6454 -46.3147 16.3847 -13.9791 16.3847 -1.82523 GPRESSAVG: 609400 18.3201 45.0653 -14.4723 44.7289 -44.9348 15.5004 -11.027 18.3063 -2.50698 TIMING: 609400 CPU: 1926.13, 0.00313542/step Wall: 1926.13, 0.00313542/step, 3.82399 hours remaining, 234.335938 MB of memory in use. ENERGY: 609400 3970.0096 20452.3688 14386.4320 233.3735 -202791.6093 2383.6162 0.0000 0.0000 51853.3811 -109512.4281 298.0021 -161365.8092 -109163.1937 298.6666 -298.6412 -266.9846 762509.1329 -9.6835 -9.7072 PRESSURE: 609600 59.8602 126.005 -38.5145 126.006 -0.181542 -262.539 -38.5149 -262.538 -251.772 GPRESSURE: 609600 83.6973 120.372 -67.4535 -37.1166 6.76345 -197.429 -115.828 -103.713 -197.072 PRESSAVG: 609600 -13.81 29.0601 -79.0143 29.06 9.37887 -60.6021 -79.0144 -60.6021 17.7716 GPRESSAVG: 609600 -13.8875 28.234 -79.8237 27.7371 8.46216 -59.2004 -78.8123 -60.9258 18.7793 TIMING: 609600 CPU: 1926.76, 0.00314757/step Wall: 1926.76, 0.00314757/step, 3.83863 hours remaining, 234.335938 MB of memory in use. ENERGY: 609600 3959.3834 20419.2531 14374.2737 239.9432 -203469.8949 2785.4479 0.0000 0.0000 52002.7543 -109688.8393 298.8605 -161691.5936 -109339.8883 298.2353 -64.0312 -35.5371 760591.5258 4.4468 4.4513 PRESSURE: 609800 -100.59 53.7843 211.981 53.7856 0.865759 72.1022 211.981 72.1017 89.8955 GPRESSURE: 609800 24.3946 66.5297 287.38 69.1125 -33.5319 -22.632 -1.90045 -9.35003 93.1574 PRESSAVG: 609800 19.6777 -48.3011 -6.78249 -48.3011 -46.9744 -47.9428 -6.78252 -47.9428 -11.7867 GPRESSAVG: 609800 19.8677 -47.8906 -5.26982 -47.633 -46.7363 -48.4152 -9.24308 -47.5501 -12.6136 TIMING: 609800 CPU: 1927.39, 0.00314126/step Wall: 1927.39, 0.00314126/step, 3.83076 hours remaining, 234.335938 MB of memory in use. ENERGY: 609800 3996.2670 20414.3605 14431.0137 254.2220 -203315.4584 2692.8826 0.0000 0.0000 51958.4922 -109568.2203 298.6062 -161526.7125 -109210.7701 298.3309 -3.2761 28.0067 760888.7432 -13.0278 -13.1607 PRESSURE: 610000 -28.8855 42.3712 317.323 42.3721 70.6955 79.745 317.323 79.7464 608.051 GPRESSURE: 610000 114.188 -64.446 371.785 137.358 48.2797 60.8789 232.323 116.533 566.848 PRESSAVG: 610000 -10.1285 19.7019 13.8864 19.7019 15.7415 -2.9884 13.8865 -2.98853 10.2887 GPRESSAVG: 610000 -8.46498 21.0261 14.2263 21.5469 15.127 -3.59909 15.3395 -3.36137 9.78292 TIMING: 610000 CPU: 1928.01, 0.00313589/step Wall: 1928.01, 0.00313589/step, 3.82404 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: 610000 3946.4569 20507.5202 14412.5628 234.3714 -203477.9290 2821.7742 0.0000 0.0000 52102.5990 -109452.6446 299.4344 -161555.2436 -109089.9796 298.3993 216.6204 243.1055 760986.2996 5.3006 5.4816 PRESSURE: 610200 195.933 -80.6825 -85.7535 -80.682 -80.7276 34.4035 -85.7528 34.4028 -322.869 GPRESSURE: 610200 179.885 -42.4758 -68.2122 21.6438 34.427 -23.1348 57.7573 -2.42133 -318.165 PRESSAVG: 610200 60.3663 -42.0164 12.2849 -42.0164 -28.2782 -43.474 12.2849 -43.474 -9.31478 GPRESSAVG: 610200 58.2272 -41.2915 11.1936 -44.4434 -26.2108 -43.4317 12.3333 -43.6395 -9.07615 TIMING: 610200 CPU: 1928.64, 0.00314428/step Wall: 1928.64, 0.00314428/step, 3.8341 hours remaining, 234.335938 MB of memory in use. ENERGY: 610200 4060.3929 20320.6951 14450.9813 229.0886 -202990.3794 2506.1867 0.0000 0.0000 52156.7148 -109266.3199 299.7454 -161423.0348 -108907.5173 298.5861 -69.2214 -34.6179 760954.7918 7.5911 7.6468 PRESSURE: 610400 181.98 69.6235 88.0516 69.624 107.24 -249.804 88.0512 -249.803 74.0537 GPRESSURE: 610400 255.035 66.8105 146.726 94.8992 170.247 -216.654 106.114 -403.609 26.0521 PRESSAVG: 610400 6.29825 -41.8961 18.0488 -41.8962 -12.0681 -52.2669 18.0488 -52.2668 -3.32002 GPRESSAVG: 610400 5.54061 -44.0074 19.4599 -38.8419 -11.3352 -52.6436 19.2104 -52.8686 -2.91075 TIMING: 610400 CPU: 1929.27, 0.00314209/step Wall: 1929.27, 0.00314209/step, 3.83126 hours remaining, 234.335938 MB of memory in use. ENERGY: 610400 3954.7363 20582.7221 14379.3914 226.9621 -203074.1401 2700.5293 0.0000 0.0000 52059.2803 -109170.5187 299.1854 -161229.7991 -108814.4234 299.0655 121.0913 150.4447 761980.4427 -3.0300 -2.9018 PRESSURE: 610600 29.1544 -11.9604 -15.8505 -11.9599 50.5128 -135.357 -15.8503 -135.358 38.8105 GPRESSURE: 610600 114.195 8.70765 -40.4717 71.5508 8.11727 -136.049 1.21498 -146.979 91.2083 PRESSAVG: 610600 -30.7191 -11.4419 0.277969 -11.442 13.6572 -1.0006 0.277986 -1.00056 18.8896 GPRESSAVG: 610600 -30.149 -10.3659 1.20021 -12.8542 12.5899 0.60278 -1.76127 -0.297609 19.0551 TIMING: 610600 CPU: 1929.9, 0.00312014/step Wall: 1929.9, 0.00312014/step, 3.80431 hours remaining, 234.335938 MB of memory in use. ENERGY: 610600 3968.0293 20508.0399 14392.3573 242.0409 -203200.3364 2860.1213 0.0000 0.0000 52147.7864 -109081.9613 299.6940 -161229.7477 -108714.5131 299.1025 39.4926 71.1735 763689.3430 0.6092 0.4986 PRESSURE: 610800 -86.7294 -0.0284929 82.4112 -0.0274857 -118.554 -49.6711 82.4103 -49.6719 72.2889 GPRESSURE: 610800 -122.185 22.029 -41.1976 53.9621 -29.7973 -9.35011 107.089 18.3045 97.1221 PRESSAVG: 610800 -40.5692 16.2426 14.3012 16.2425 11.5977 3.82114 14.3012 3.82112 17.7205 GPRESSAVG: 610800 -40.8958 14.7494 13.3722 17.3144 11.516 2.01305 15.2484 6.01924 17.6451 TIMING: 610800 CPU: 1930.52, 0.00313088/step Wall: 1930.52, 0.00313088/step, 3.81724 hours remaining, 234.335938 MB of memory in use. ENERGY: 610800 4007.8101 20519.0453 14512.9960 255.6776 -203075.3358 2621.5113 0.0000 0.0000 52012.8968 -109145.3987 298.9188 -161158.2955 -108776.6131 299.0686 -44.3314 -18.2868 763290.4827 -3.7503 -3.9116 PRESSURE: 611000 -44.1243 34.7224 187.536 34.7221 -194.7 -90.3354 187.535 -90.3355 -441.96 GPRESSURE: 611000 69.7886 45.9442 186.809 126.895 -230.731 -51.7529 250.437 -132.178 -440.843 PRESSAVG: 611000 -5.17883 33.8932 1.97899 33.8933 18.8864 0.0820656 1.979 0.0822061 -0.600057 GPRESSAVG: 611000 -4.81393 35.4654 2.0389 30.9392 18.8262 0.746691 0.656885 -1.89842 -0.858141 TIMING: 611000 CPU: 1931.15, 0.00314801/step Wall: 1931.15, 0.00314801/step, 3.83795 hours remaining, 234.335938 MB of memory in use. ENERGY: 611000 3923.9925 20482.4455 14509.2908 274.4060 -202709.4850 2427.1899 0.0000 0.0000 51937.6545 -109154.5058 298.4864 -161092.1603 -108786.0586 299.2779 -226.9281 -200.5952 762650.0424 4.3692 4.3847 PRESSURE: 611200 -214.656 -90.2105 -62.4374 -90.211 112.609 68.4104 -62.437 68.4105 -55.8022 GPRESSURE: 611200 -199.443 -131.234 -106.546 -111.905 154.875 13.494 -60.007 83.2014 -32.3304 PRESSAVG: 611200 -45.0622 -19.3662 -52.8724 -19.3662 58.2114 -27.8477 -52.8724 -27.8476 -16.4412 GPRESSAVG: 611200 -44.4632 -18.5348 -52.7165 -19.5428 57.4937 -27.9908 -52.657 -27.2843 -16.3994 TIMING: 611200 CPU: 1931.78, 0.00313604/step Wall: 1931.78, 0.00313604/step, 3.82318 hours remaining, 234.335938 MB of memory in use. ENERGY: 611200 3957.5436 20655.2660 14504.9057 239.6797 -203132.0721 2577.4130 0.0000 0.0000 52035.8545 -109161.4096 299.0508 -161197.2641 -108806.9213 299.3126 -52.6163 -25.6327 761553.4267 -1.0973 -1.1230 PRESSURE: 611400 -403.959 232.825 -151.975 232.825 -55.8508 -74.4139 -151.976 -74.4143 194.546 GPRESSURE: 611400 -423.245 171.343 -130.197 204.303 -2.85865 -63.0003 -73.6187 -7.22135 232.184 PRESSAVG: 611400 -49.4573 11.0128 -53.8003 11.0129 49.9033 14.8043 -53.8004 14.8043 5.16012 GPRESSAVG: 611400 -49.6811 9.83655 -55.8458 13.2202 50.6771 17.2243 -52.4032 14.8873 4.82849 TIMING: 611400 CPU: 1932.41, 0.00316334/step Wall: 1932.41, 0.00316334/step, 3.85629 hours remaining, 234.335938 MB of memory in use. ENERGY: 611400 3898.4220 20562.4390 14438.7712 234.6067 -203439.8026 2863.9645 0.0000 0.0000 52181.9568 -109259.6423 299.8904 -161441.5991 -108899.4585 299.2125 -88.4213 -64.6401 762143.6991 1.8687 1.9415 PRESSURE: 611600 40.2455 41.0733 15.022 41.0734 356.271 -7.31658 15.0227 -7.31568 71.7008 GPRESSURE: 611600 71.1791 -65.6013 -26.5129 -188.25 337.056 2.66982 -18.3356 50.2435 120.667 PRESSAVG: 611600 -25.0425 -27.9071 -16.6464 -27.907 56.153 25.8192 -16.6465 25.8192 -1.94527 GPRESSAVG: 611600 -25.0611 -27.0048 -14.9214 -30.8391 56.9968 22.4618 -17.9996 25.3716 -2.54454 TIMING: 611600 CPU: 1933.04, 0.00314363/step Wall: 1933.04, 0.00314363/step, 3.83208 hours remaining, 234.335938 MB of memory in use. ENERGY: 611600 3932.1607 20523.2532 14405.7547 252.1931 -203116.5141 2700.3498 0.0000 0.0000 52030.8035 -109271.9990 299.0217 -161302.8025 -108917.2254 299.4725 156.0724 176.3008 763230.2812 9.7217 9.7970 PRESSURE: 611800 -173.23 200.181 -151.861 200.182 -101.598 -22.9728 -151.86 -22.9736 43.5901 GPRESSURE: 611800 -192.149 143.564 -67.9338 154.687 -38.057 75.5999 -180.677 -243.897 81.3404 PRESSAVG: 611800 -60.641 7.22247 -3.32826 7.22247 10.1858 -35.4621 -3.32823 -35.4621 0.885524 GPRESSAVG: 611800 -60.1535 4.74528 -3.96345 10.1956 10.14 -32.7829 -3.88075 -35.8037 0.522107 TIMING: 611800 CPU: 1933.67, 0.00313924/step Wall: 1933.67, 0.00313924/step, 3.82656 hours remaining, 234.335938 MB of memory in use. ENERGY: 611800 3990.4749 20638.1507 14501.6552 265.6216 -203472.1893 2851.6847 0.0000 0.0000 51907.1906 -109317.4116 298.3113 -161224.6022 -108965.8846 298.8663 -77.0793 -49.6219 763555.6977 -16.5232 -16.4971 PRESSURE: 612000 -268.997 -332.43 -195.769 -332.43 -17.4478 267.969 -195.77 267.97 -156.69 GPRESSURE: 612000 -295.026 -128.24 -114.648 -261.66 -20.92 227.614 -93.9903 213.79 -49.0409 PRESSAVG: 612000 21.9569 -19.7655 -54.6521 -19.7655 3.66916 -27.8611 -54.6521 -27.861 4.36702 GPRESSAVG: 612000 20.6776 -18.1235 -54.0129 -19.6588 4.00863 -29.9883 -54.2905 -27.7332 4.73979 TIMING: 612000 CPU: 1934.3, 0.00315185/step Wall: 1934.3, 0.00315185/step, 3.84175 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: 612000 3983.9310 20520.8118 14416.0907 262.0772 -203226.5422 2555.3378 0.0000 0.0000 52225.4277 -109262.8661 300.1403 -161488.2938 -108894.2675 299.2377 -147.7118 -121.6621 762938.6157 9.9977 9.8087 PRESSURE: 612200 -340.151 -0.723167 -36.5533 -0.723933 -135.878 -33.4497 -36.5536 -33.4505 144.743 GPRESSURE: 612200 -335.23 -16.5535 -90.8732 43.1365 -47.5349 -21.7867 50.4885 -18.4928 115.075 PRESSAVG: 612200 -38.5376 35.7809 -65.6836 35.7809 -2.38554 -54.1775 -65.6836 -54.1775 -18.3594 GPRESSAVG: 612200 -38.4797 34.9693 -66.8986 35.4146 -2.91742 -52.4293 -64.9006 -54.4017 -18.0557 TIMING: 612200 CPU: 1934.93, 0.00313671/step Wall: 1934.93, 0.0031367/step, 3.82312 hours remaining, 234.335938 MB of memory in use. ENERGY: 612200 3914.7405 20605.1459 14527.2274 244.3916 -202843.4389 2314.1933 0.0000 0.0000 51969.6319 -109268.1082 298.6702 -161237.7401 -108906.8058 299.0333 -110.4287 -89.2298 763367.3400 -19.7608 -19.8176 LDB: ============= START OF LOAD BALANCING ============== 1947.46 LDB: ============== END OF LOAD BALANCING =============== 1947.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1947.46 LDB: ============= START OF LOAD BALANCING ============== 1947.77 LDB: Largest compute 7050 load 0.030594 is 15.7% of average load 0.195331 LDB: Average compute 0.004380 is 2.2% of average load 0.195331 LDB: TIME 1947.77 LOAD: AVG 0.195331 MAX 0.21603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.719 MB LDB: TIME 1947.78 LOAD: AVG 0.195331 MAX 0.21603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: TIME 1947.78 LOAD: AVG 0.195331 MAX 0.21603 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.785 MB LDB: ============== END OF LOAD BALANCING =============== 1947.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1947.78 PRESSURE: 612400 -82.8747 -227.071 -197.69 -227.071 -164.957 -71.1155 -197.689 -71.1156 21.3744 GPRESSURE: 612400 -66.221 -279.95 -198.101 -353.259 -45.4829 -14.6525 -61.3693 -212.506 -44.0507 PRESSAVG: 612400 4.97927 -17.7466 -3.16136 -17.7465 6.14418 -22.1235 -3.16139 -22.1236 -5.91079 GPRESSAVG: 612400 5.28769 -16.6175 -1.11082 -19.3252 5.302 -23.1113 -3.88123 -22.5802 -5.6478 TIMING: 612400 CPU: 1935.57, 0.00320147/step Wall: 1935.57, 0.00320147/step, 3.90188 hours remaining, 232.925781 MB of memory in use. ENERGY: 612400 3897.5832 20611.1699 14510.5569 247.2400 -203203.5577 2655.3349 0.0000 0.0000 51967.2522 -109314.4206 298.6565 -161281.6728 -108944.8272 299.0673 -75.4857 -51.9182 763596.4621 1.7376 1.6473 PRESSURE: 612600 48.5039 158.585 69.05 158.585 -64.8459 65.5258 69.0493 65.5261 -170.519 GPRESSURE: 612600 79.494 200.073 43.4194 136.656 -122.294 -22.6969 2.56018 48.9032 -79.6396 PRESSAVG: 612600 44.9353 -17.9789 -56.8837 -17.9789 -42.4173 9.11443 -56.8837 9.11443 -13.3889 GPRESSAVG: 612600 44.4005 -17.8442 -59.3404 -18.1112 -42.4178 9.68101 -56.0498 9.81955 -12.5822 TIMING: 612600 CPU: 1936.19, 0.00312318/step Wall: 1936.19, 0.00312318/step, 3.80629 hours remaining, 232.925781 MB of memory in use. ENERGY: 612600 3980.5114 20571.9410 14520.5274 263.1576 -202963.2868 2496.1453 0.0000 0.0000 51998.9664 -109132.0377 298.8388 -161131.0042 -108778.9192 299.2371 -62.2871 -40.8133 763554.9197 -3.6236 -3.5331 PRESSURE: 612800 28.3094 106.784 -69.2698 106.784 -188.739 -59.2399 -69.27 -59.2404 526.067 GPRESSURE: 612800 170.326 158.45 -86.2627 20.5627 -175.805 -23.3776 46.3565 -59.3593 460.406 PRESSAVG: 612800 19.4309 -26.462 -13.0116 -26.462 11.1554 -24.5312 -13.0116 -24.5311 19.6061 GPRESSAVG: 612800 20.363 -27.6865 -11.6735 -26.8369 12.2679 -25.2026 -13.1663 -26.4758 18.1047 TIMING: 612800 CPU: 1936.82, 0.00314116/step Wall: 1936.82, 0.00314116/step, 3.82803 hours remaining, 232.925781 MB of memory in use. ENERGY: 612800 4042.7682 20647.8167 14548.5129 258.5485 -203720.3784 2939.7172 0.0000 0.0000 52114.1745 -109168.8405 299.5009 -161283.0150 -108812.2630 299.4211 121.8791 151.6425 761775.0982 16.7308 16.9119 PRESSURE: 613000 25.9037 147.661 43.0548 147.662 146.189 -48.96 43.0549 -48.9596 612.129 GPRESSURE: 613000 85.132 84.4996 45.0635 186.231 206.776 -50.6756 -105.335 0.910496 579.368 PRESSAVG: 613000 60.3687 17.8213 11.2646 17.8213 -26.3113 19.7042 11.2646 19.7041 -4.65249 GPRESSAVG: 613000 59.1042 20.5874 10.0883 18.3832 -25.5628 20.8462 11.8 24.2056 -4.07585 TIMING: 613000 CPU: 1937.44, 0.00312669/step Wall: 1937.44, 0.00312669/step, 3.81022 hours remaining, 232.925781 MB of memory in use. ENERGY: 613000 3987.9174 20498.8066 14540.5371 245.6045 -203663.6129 2921.5171 0.0000 0.0000 52340.6922 -109128.5379 300.8027 -161469.2302 -108757.4639 299.9203 261.4071 290.4256 760075.5334 9.8016 9.8219 PRESSURE: 613200 36.3734 -60.237 -141.438 -60.2368 27.5323 -0.209864 -141.438 -0.210886 220.655 GPRESSURE: 613200 94.095 -94.1437 -205.202 12.6664 60.3461 -48.3291 -166.793 -115.529 211.642 PRESSAVG: 613200 1.30344 40.2549 -33.5271 40.255 -46.5807 4.87888 -33.527 4.87901 -6.87761 GPRESSAVG: 613200 2.01192 39.9701 -32.503 39.57 -47.2738 4.37888 -34.9175 1.46902 -7.30803 TIMING: 613200 CPU: 1938.07, 0.00312942/step Wall: 1938.07, 0.00312942/step, 3.81337 hours remaining, 232.925781 MB of memory in use. ENERGY: 613200 3933.6315 20508.7686 14508.3056 224.8494 -203361.7211 2827.4493 0.0000 0.0000 52092.1986 -109266.5180 299.3746 -161358.7165 -108907.5073 299.2940 94.8534 122.0276 762646.2797 -17.3849 -17.5233 PRESSURE: 613400 245.31 -31.5241 -134.909 -31.525 -93.4009 60.4748 -134.908 60.4747 70.8499 GPRESSURE: 613400 267.969 -85.1772 -71.8328 62.9506 -107.057 21.1539 -96.1961 112.073 130.566 PRESSAVG: 613400 -16.5274 2.25506 -32.1826 2.25508 23.105 -3.42333 -32.1826 -3.42328 -3.86201 GPRESSAVG: 613400 -15.2875 0.165379 -31.4021 3.43438 22.0237 -3.38816 -31.3067 -2.18833 -4.1432 TIMING: 613400 CPU: 1938.69, 0.00312732/step Wall: 1938.69, 0.00312732/step, 3.81064 hours remaining, 232.925781 MB of memory in use. ENERGY: 613400 3993.8212 20472.6780 14527.7928 250.8412 -203203.4497 2476.5598 0.0000 0.0000 52229.5890 -109252.1677 300.1642 -161481.7567 -108881.6602 299.2175 74.2530 97.1593 761725.5844 0.9052 0.8643 PRESSURE: 613600 94.7015 -201.116 -114.371 -201.115 -6.16785 260.756 -114.371 260.756 127.225 GPRESSURE: 613600 44.6899 -153.837 -174.072 -295.323 103.314 252.842 -56.7484 168.463 158.565 PRESSAVG: 613600 -44.6753 9.37528 -19.7139 9.37522 -7.4441 19.9413 -19.7139 19.9412 -1.70053 GPRESSAVG: 613600 -47.0533 10.4082 -20.4357 8.51012 -5.79841 20.5609 -21.1915 18.3475 -0.64981 TIMING: 613600 CPU: 1939.32, 0.0031399/step Wall: 1939.32, 0.0031399/step, 3.82579 hours remaining, 232.925781 MB of memory in use. ENERGY: 613600 4036.6084 20582.2145 14501.6862 251.1096 -203151.3491 2488.9936 0.0000 0.0000 52218.8412 -109071.8956 300.1024 -161290.7368 -108721.2149 299.1183 71.9196 102.1894 760917.3852 -17.9400 -17.8338 PRESSURE: 613800 -11.1716 52.0694 70.2786 52.0701 -345.109 72.4511 70.2782 72.4522 303.531 GPRESSURE: 613800 1.65261 91.2201 48.2457 116.421 -266.083 132.53 60.6793 31.5136 291.487 PRESSAVG: 613800 74.4754 -22.5541 -11.272 -22.5541 -21.4457 -8.38627 -11.272 -8.38629 -16.0256 GPRESSAVG: 613800 74.6752 -22.8516 -11.6482 -22.1493 -21.0741 -8.77912 -8.50251 -7.84526 -16.2475 TIMING: 613800 CPU: 1939.95, 0.00313718/step Wall: 1939.95, 0.00313718/step, 3.8223 hours remaining, 232.925781 MB of memory in use. ENERGY: 613800 4021.9336 20721.6900 14462.1239 245.1514 -202673.0101 2196.2903 0.0000 0.0000 51958.7132 -109067.1078 298.6074 -161025.8210 -108704.5650 299.6113 -17.5833 9.0189 761158.5309 12.3347 12.4512 PRESSURE: 614000 340.518 11.2375 137.83 11.2372 -180.858 -52.9854 137.83 -52.9845 563.203 GPRESSURE: 614000 374.406 7.4938 180.208 -2.08412 -149.671 -61.9942 153.859 -112.103 570.42 PRESSAVG: 614000 21.5012 56.6981 21.5362 56.6981 -64.3435 -11.6054 21.5362 -11.6055 22.912 GPRESSAVG: 614000 22.6215 58.1145 22.5586 56.9345 -65.1582 -11.0992 18.454 -8.67555 22.4703 TIMING: 614000 CPU: 1940.58, 0.00313206/step Wall: 1940.58, 0.00313206/step, 3.81589 hours remaining, 232.925781 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: 614000 3984.4432 20553.0343 14457.5880 245.0468 -203151.3387 2657.0919 0.0000 0.0000 52116.3158 -109137.8186 299.5132 -161254.1344 -108778.1512 299.6099 240.9545 265.0514 760814.1150 -6.6434 -6.6888 PRESSURE: 614200 -263.069 -75.4561 -19.0525 -75.4559 -88.3564 32.8891 -19.0519 32.8882 -247.27 GPRESSURE: 614200 -177.44 -94.7324 -46.8739 -62.5015 -118.009 6.79273 93.083 5.38983 -219.692 PRESSAVG: 614200 19.6808 27.0069 -13.0484 27.0069 -36.9042 -22.4543 -13.0484 -22.4542 -8.61937 GPRESSAVG: 614200 19.1915 23.6527 -14.4536 28.3052 -37.5174 -22.5807 -10.8269 -22.38 -7.81093 TIMING: 614200 CPU: 1941.2, 0.0031329/step Wall: 1941.2, 0.0031329/step, 3.81675 hours remaining, 232.925781 MB of memory in use. ENERGY: 614200 4025.6885 20560.7558 14582.9527 242.7544 -203040.0058 2392.2978 0.0000 0.0000 52242.0187 -108993.5378 300.2356 -161235.5565 -108622.1153 299.9255 -199.5648 -171.7136 760629.1456 -8.6142 -8.7123 PRESSURE: 614400 -119.605 -129.525 -46.5465 -129.525 2.33743 293.467 -46.5466 293.467 -379.192 GPRESSURE: 614400 -54.7474 -46.3666 -122.6 -234.898 3.10116 176.15 -73.6171 360.684 -371.788 PRESSAVG: 614400 38.4218 -34.4881 -47.2696 -34.4881 -49.7267 21.8799 -47.2696 21.8799 1.51318 GPRESSAVG: 614400 37.3409 -32.3011 -48.2527 -35.2691 -48.665 20.4583 -47.2906 19.7628 1.42516 TIMING: 614400 CPU: 1941.83, 0.00315541/step Wall: 1941.83, 0.00315541/step, 3.84399 hours remaining, 232.925781 MB of memory in use. ENERGY: 614400 4049.5530 20632.6447 14377.3790 230.1074 -202920.2792 2410.1889 0.0000 0.0000 52067.8320 -109152.5742 299.2345 -161220.4062 -108787.9962 299.6603 -165.4867 -141.1448 762306.1684 -3.2639 -3.2996 PRESSURE: 614600 84.6647 -19.0255 -23.9881 -19.0267 116.718 -86.0593 -23.9874 -86.0603 264.747 GPRESSURE: 614600 96.8963 -4.3731 14.6059 -149.02 182.773 -54.3236 128.238 -52.3227 293.903 PRESSAVG: 614600 -45.9835 -9.68535 -31.5043 -9.68536 56.1828 -35.9987 -31.5043 -35.9988 -9.03866 GPRESSAVG: 614600 -46.0512 -10.479 -28.616 -9.74985 56.1918 -34.8959 -31.5462 -35.9215 -9.11219 TIMING: 614600 CPU: 1942.46, 0.00314191/step Wall: 1942.46, 0.00314191/step, 3.82737 hours remaining, 232.925781 MB of memory in use. ENERGY: 614600 3960.3270 20592.8720 14472.7914 237.1739 -203148.3623 2591.8066 0.0000 0.0000 52095.6151 -109197.7763 299.3942 -161293.3914 -108833.8376 299.9416 155.3765 191.1907 761462.7072 0.3869 0.3428 PRESSURE: 614800 -96.3149 -3.56498 -26.223 -3.56522 -93.4423 -62.7279 -26.2218 -62.727 -131.846 GPRESSURE: 614800 -56.9177 14.947 -31.0598 32.8949 -74.2984 -80.2758 36.7192 -147.854 -83.71 PRESSAVG: 614800 21.8861 -2.80609 -15.3104 -2.8061 2.03584 18.5326 -15.3103 18.5326 -23.1049 GPRESSAVG: 614800 22.622 -2.21751 -17.0864 -3.9441 2.33342 18.4691 -15.1284 17.3425 -24.4067 TIMING: 614800 CPU: 1943.09, 0.00314344/step Wall: 1943.09, 0.00314344/step, 3.82906 hours remaining, 232.925781 MB of memory in use. ENERGY: 614800 3988.6285 20759.2731 14421.6202 268.1066 -203053.7901 2407.4421 0.0000 0.0000 51912.3842 -109296.3354 298.3412 -161208.7196 -108954.0526 300.0275 -107.2010 -71.6420 761779.9580 0.2723 0.1829 PRESSURE: 615000 -142.146 46.2539 175.37 46.2541 77.9667 -186.477 175.372 -186.476 192.256 GPRESSURE: 615000 -136.681 72.191 148.086 77.9667 78.2882 -119.23 121.973 -102.558 287.928 PRESSAVG: 615000 15.7091 8.96712 19.2427 8.96711 -5.14329 -16.1577 19.2427 -16.1578 3.04983 GPRESSAVG: 615000 16.7857 10.5016 20.7943 10.7462 -6.50968 -15.9544 17.1199 -15.1259 3.73553 TIMING: 615000 CPU: 1943.72, 0.00312731/step Wall: 1943.72, 0.00312731/step, 3.80923 hours remaining, 232.925781 MB of memory in use. ENERGY: 615000 3914.5712 20585.9221 14501.4690 261.2373 -203154.0266 2610.3750 0.0000 0.0000 52227.5669 -109052.8852 300.1525 -161280.4521 -108670.8626 299.7581 42.6920 76.5117 761730.9820 4.5385 4.6705 PRESSURE: 615200 -9.66255 142.487 -154.489 142.486 -149.757 92.0175 -154.49 92.0163 39.4343 GPRESSURE: 615200 86.1531 56.2089 -221.119 90.1093 -143.701 117.571 95.9739 53.8065 6.15162 PRESSAVG: 615200 -15.9551 7.25527 -24.9108 7.25515 27.7897 -22.4825 -24.9108 -22.4824 13.5866 GPRESSAVG: 615200 -17.6239 5.30873 -26.4338 6.3181 28.7465 -22.7274 -24.3865 -21.917 14.4044 TIMING: 615200 CPU: 1944.35, 0.00315107/step Wall: 1944.35, 0.00315107/step, 3.83801 hours remaining, 232.925781 MB of memory in use. ENERGY: 615200 4082.8862 20748.7847 14521.7106 245.7508 -203197.2883 2284.0629 0.0000 0.0000 52274.4925 -109039.6005 300.4222 -161314.0930 -108678.8290 300.0978 -39.9952 -17.1321 759512.4460 8.4738 8.5090 PRESSURE: 615400 -172.734 -155.908 55.7796 -155.909 -137.084 -214.845 55.7799 -214.845 78.3664 GPRESSURE: 615400 -101.527 10.9572 1.16406 -145.062 -148.647 -232.732 103.55 -254.827 93.7133 PRESSAVG: 615400 -5.98022 47.1224 -19.0707 47.1224 13.6748 26.0635 -19.0707 26.0635 -8.0184 GPRESSAVG: 615400 -5.64089 47.3202 -19.8035 48.2822 13.82 26.3892 -17.3809 25.5915 -8.48145 TIMING: 615400 CPU: 1944.98, 0.00314236/step Wall: 1944.98, 0.00314236/step, 3.82722 hours remaining, 232.925781 MB of memory in use. ENERGY: 615400 4033.2024 20650.2417 14483.8373 248.3273 -203362.9830 2712.5635 0.0000 0.0000 52195.1064 -109039.7042 299.9660 -161234.8107 -108680.3521 300.3977 -77.1504 -52.1536 762960.9247 -0.1079 -0.1008 PRESSURE: 615600 -275.026 70.2287 139.175 70.2287 113.593 116.846 139.174 116.845 160.933 GPRESSURE: 615600 -274.49 75.5766 155.962 33.2897 165.482 194.117 212.319 81.6627 184.111 PRESSAVG: 615600 -48.6103 70.8054 -9.19328 70.8054 8.97382 14.1794 -9.19327 14.1794 -5.76445 GPRESSAVG: 615600 -47.9073 72.5329 -7.25712 69.5843 10.0926 14.0231 -11.7605 14.5539 -7.31724 TIMING: 615600 CPU: 1945.6, 0.00314048/step Wall: 1945.6, 0.00314048/step, 3.82476 hours remaining, 232.925781 MB of memory in use. ENERGY: 615600 3976.6752 20488.4236 14502.7459 235.1077 -202982.5700 2662.1870 0.0000 0.0000 51991.9609 -109125.4698 298.7985 -161117.4307 -108772.8353 299.9002 -0.1668 25.0341 761941.2516 -15.1336 -15.0440 PRESSURE: 615800 130.264 -28.5388 -77.1208 -28.5387 128.638 221.192 -77.1209 221.192 48.7881 GPRESSURE: 615800 140.679 -201.341 -140.718 -127.727 95.5801 201.555 -87.7768 194.961 153.734 PRESSAVG: 615800 16.6528 39.6567 -32.7858 39.6567 0.0955993 -4.90391 -32.7858 -4.90396 4.33492 GPRESSAVG: 615800 15.4018 38.9035 -33.7021 38.7002 -0.813827 -4.92926 -31.3205 -7.53706 6.47985 TIMING: 615800 CPU: 1946.23, 0.00315611/step Wall: 1946.23, 0.00315611/step, 3.84361 hours remaining, 232.925781 MB of memory in use. ENERGY: 615800 3934.9854 20319.2099 14527.2680 243.0622 -203422.3076 2872.7460 0.0000 0.0000 52295.1474 -109229.8888 300.5409 -161525.0362 -108864.9445 299.3775 102.5634 129.9977 763248.0215 7.0278 7.0226 PRESSURE: 616000 -210.48 173.755 65.0173 173.755 -16.0711 -215.118 65.017 -215.117 247.113 GPRESSURE: 616000 -270.26 106.75 30.7672 239.771 27.879 -294.902 184.398 -232.628 346.212 PRESSAVG: 616000 -65.9624 -35.0033 -57.6822 -35.0033 29.7818 -5.80978 -57.6822 -5.80982 5.48694 GPRESSAVG: 616000 -65.2232 -37.8058 -59.967 -32.9047 30.2344 -6.11973 -56.6084 -4.05236 5.35622 TIMING: 616000 CPU: 1946.86, 0.00314866/step Wall: 1946.86, 0.00314866/step, 3.83436 hours remaining, 232.925781 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: 616000 3929.8851 20323.3809 14545.0533 250.7441 -202971.2097 2636.7397 0.0000 0.0000 52264.8484 -109020.5582 300.3668 -161285.4066 -108664.1931 299.5333 6.8540 34.6102 762895.7007 -10.2312 -9.8775 PRESSURE: 616200 -390.226 213.544 -11.4989 213.543 -443.822 82.8789 -11.4995 82.8785 -237.58 GPRESSURE: 616200 -303.232 227.45 -89.4143 219.798 -406.379 64.7606 36.743 77.0699 -270.208 PRESSAVG: 616200 14.4339 -11.9997 -46.8118 -11.9997 0.784955 -0.00582058 -46.8118 -0.00586043 -17.3076 GPRESSAVG: 616200 15.968 -10.4125 -44.8959 -11.7384 -0.122714 -0.573473 -47.262 0.616267 -17.7712 TIMING: 616200 CPU: 1947.5, 0.0031759/step Wall: 1947.5, 0.0031759/step, 3.86736 hours remaining, 232.925781 MB of memory in use. ENERGY: 616200 3971.5419 20453.6406 14479.9871 228.9738 -202859.9190 2504.0809 0.0000 0.0000 52022.4963 -109199.1985 298.9740 -161221.6947 -108845.7109 299.6284 -357.2097 -326.6060 765029.9902 -0.6962 -0.6420 LDB: ============= START OF LOAD BALANCING ============== 1960.03 LDB: ============== END OF LOAD BALANCING =============== 1960.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1960.04 LDB: ============= START OF LOAD BALANCING ============== 1960.35 LDB: Largest compute 7043 load 0.029631 is 15.2% of average load 0.195242 LDB: Average compute 0.004370 is 2.2% of average load 0.195242 LDB: TIME 1960.36 LOAD: AVG 0.195242 MAX 0.212042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 1960.36 LOAD: AVG 0.195242 MAX 0.212042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 1960.36 LOAD: AVG 0.195242 MAX 0.212042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 1960.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1960.36 PRESSURE: 616400 -168.978 62.4497 -5.75491 62.4488 270.177 21.7313 -5.75499 21.7317 -63.4994 GPRESSURE: 616400 -64.2194 96.8624 7.03465 76.7365 236.027 -42.1516 144.62 -114.867 -35.8083 PRESSAVG: 616400 4.36177 38.4858 -29.9829 38.4858 8.22969 -23.4667 -29.9829 -23.4667 -18.3619 GPRESSAVG: 616400 4.26991 38.6455 -30.7001 38.1902 7.78503 -23.5927 -29.7275 -24.7622 -18.1222 TIMING: 616400 CPU: 1948.15, 0.00323781/step Wall: 1948.15, 0.0032378/step, 3.94257 hours remaining, 233.378906 MB of memory in use. ENERGY: 616400 3981.7521 20393.8913 14459.8643 253.1853 -203280.6980 2724.7833 0.0000 0.0000 52363.7591 -109103.4626 300.9352 -161467.2218 -108749.2511 299.5166 12.5663 45.3332 763264.1990 -1.9235 -2.0224 PRESSURE: 616600 -97.6254 4.35464 -56.3844 4.35431 53.973 -228.124 -56.3835 -228.124 19.0968 GPRESSURE: 616600 25.2834 -12.3736 -94.401 4.48447 65.2738 -205.577 -141.78 -195.995 -10.1996 PRESSAVG: 616600 -42.9231 13.0787 -50.9905 13.0787 -10.6461 -16.8602 -50.9905 -16.8602 -1.73181 GPRESSAVG: 616600 -42.2093 12.4272 -49.9753 12.6734 -10.2417 -16.0866 -51.4688 -16.4699 -2.56459 TIMING: 616600 CPU: 1948.78, 0.0031765/step Wall: 1948.78, 0.0031765/step, 3.86774 hours remaining, 233.640625 MB of memory in use. ENERGY: 616600 3973.3139 20470.6336 14532.0946 232.0949 -202786.3974 2516.8786 0.0000 0.0000 51844.1170 -109217.2649 297.9489 -161061.3819 -108854.9972 298.9095 -8.1852 26.7859 762950.1430 -18.4337 -18.3385 PRESSURE: 616800 41.8252 226.389 146.528 226.389 5.76972 -182.852 146.527 -182.852 -300.58 GPRESSURE: 616800 116.506 178.878 118.595 235.628 44.1802 -198.843 130.118 -36.2761 -324.82 PRESSAVG: 616800 19.1804 16.1652 -18.113 16.1653 -21.6897 -8.95811 -18.113 -8.9581 19.9104 GPRESSAVG: 616800 18.7393 16.8591 -17.6299 16.4494 -21.4284 -9.10205 -19.2159 -7.64176 20.2885 TIMING: 616800 CPU: 1949.41, 0.00315498/step Wall: 1949.41, 0.00315498/step, 3.84137 hours remaining, 233.640625 MB of memory in use. ENERGY: 616800 3976.7111 20637.6407 14551.1037 238.8287 -203180.9974 2725.8052 0.0000 0.0000 51692.6814 -109358.2266 297.0786 -161050.9080 -109004.6017 299.0880 -84.3285 -54.7112 762963.4330 5.8004 5.8665 PRESSURE: 617000 297.03 -7.98115 -140.003 -7.98097 375.851 98.1491 -140.004 98.1493 119.977 GPRESSURE: 617000 355.519 -112.776 -189.525 59.1562 371.42 100.189 -197.657 139.199 135.319 PRESSAVG: 617000 -19.619 30.7816 -12.7265 30.7816 -6.26003 17.0757 -12.7264 17.0756 -23.4333 GPRESSAVG: 617000 -19.1465 30.3001 -13.6405 32.7525 -7.47986 16.6238 -12.4325 18.5857 -23.3716 TIMING: 617000 CPU: 1950.04, 0.00312924/step Wall: 1950.04, 0.00312924/step, 3.80985 hours remaining, 233.640625 MB of memory in use. ENERGY: 617000 4013.0195 20243.8587 14581.6430 229.1647 -203570.6589 2765.3926 0.0000 0.0000 51999.4703 -109738.1100 298.8417 -161737.5803 -109383.4093 298.1670 264.2863 287.4194 760352.5405 -16.4375 -16.6660 PRESSURE: 617200 54.6777 -63.791 -48.8501 -63.7909 85.3955 206.41 -48.8502 206.411 265.737 GPRESSURE: 617200 70.0303 -2.18996 58.2205 -76.9574 89.165 185.952 -12.7567 62.0865 340.453 PRESSAVG: 617200 -3.02622 53.0691 -32.7578 53.069 76.0773 -23.7919 -32.7578 -23.7919 15.3581 GPRESSAVG: 617200 -3.31966 51.9021 -32.3665 50.5682 76.7148 -22.9025 -33.9698 -26.4628 14.8274 TIMING: 617200 CPU: 1950.67, 0.00313834/step Wall: 1950.67, 0.00313834/step, 3.82076 hours remaining, 233.640625 MB of memory in use. ENERGY: 617200 3908.1359 20485.5039 14504.1677 231.6868 -203729.5227 2987.6371 0.0000 0.0000 51893.7423 -109718.6490 298.2340 -161612.3913 -109361.5005 298.3630 135.2701 166.5494 761182.6481 29.4697 29.4075 PRESSURE: 617400 -320.958 135.947 263.002 135.947 -158.467 1.36525 263.002 1.36579 206.841 GPRESSURE: 617400 -169.297 95.7193 275.917 167.134 -103.304 19.1434 323.012 -66.5312 89.6205 PRESSAVG: 617400 -33.844 29.0503 17.9703 29.0504 39.7784 45.2764 17.9702 45.2764 3.00088 GPRESSAVG: 617400 -34.0232 30.6766 16.4387 28.7827 39.3073 44.6332 20.0836 47.1066 3.72011 TIMING: 617400 CPU: 1951.29, 0.00313404/step Wall: 1951.29, 0.00313404/step, 3.81535 hours remaining, 233.843750 MB of memory in use. ENERGY: 617400 3957.1139 20455.3482 14470.0714 234.4764 -203735.5008 2882.9614 0.0000 0.0000 51942.6568 -109792.8728 298.5152 -161735.5296 -109439.3857 298.2040 -90.8611 -60.9933 762363.4883 2.9785 3.0014 PRESSURE: 617600 -25.1343 60.6376 84.2028 60.6374 172.857 57.1307 84.2024 57.131 188.311 GPRESSURE: 617600 -82.7258 46.7744 214.975 45.8918 187.293 67.9878 -25.5412 183.278 300.677 PRESSAVG: 617600 -13.8481 38.5789 -2.40448 38.5789 3.71571 -23.2024 -2.40447 -23.2025 -9.46808 GPRESSAVG: 617600 -13.5494 38.6491 -1.25197 39.6865 3.37052 -23.0362 -2.22466 -25.136 -8.94812 TIMING: 617600 CPU: 1951.92, 0.00314359/step Wall: 1951.92, 0.00314359/step, 3.82679 hours remaining, 233.843750 MB of memory in use. ENERGY: 617600 3915.3560 20470.2945 14501.7687 239.9070 -203344.6528 2532.4891 0.0000 0.0000 51889.4062 -109795.4313 298.2091 -161684.8375 -109439.4558 298.6126 112.0111 135.0816 762463.8211 -6.5335 -6.3757 PRESSURE: 617800 299.441 -61.7882 138.757 -61.7878 57.2903 56.5921 138.758 56.5917 53.7921 GPRESSURE: 617800 315.604 35.9242 184.944 -96.9582 124.905 -18.628 50.315 83.3494 61.6476 PRESSAVG: 617800 -6.86265 4.15526 -27.5366 4.15525 -2.52423 -14.5546 -27.5366 -14.5545 1.32912 GPRESSAVG: 617800 -7.43934 3.13556 -29.3582 4.41767 -1.86131 -15.6247 -26.9974 -12.7389 1.25329 TIMING: 617800 CPU: 1952.55, 0.00311962/step Wall: 1952.55, 0.00311962/step, 3.79745 hours remaining, 233.843750 MB of memory in use. ENERGY: 617800 3963.4814 20398.2200 14494.8368 255.9592 -204018.1849 2900.2243 0.0000 0.0000 52361.9710 -109643.4922 300.9250 -162005.4632 -109285.2429 298.4354 136.8410 167.3856 760380.8968 -2.6859 -2.6825 PRESSURE: 618000 52.88 169.425 214.344 169.425 97.2839 -106.81 214.345 -106.81 283.917 GPRESSURE: 618000 68.8074 21.334 184.725 39.0209 184.771 -231.707 240.571 -16.7143 260.801 PRESSAVG: 618000 21.7935 -4.45186 11.7841 -4.45185 -0.127079 -21.821 11.784 -21.821 -2.53596 GPRESSAVG: 618000 22.2007 -7.76084 13.8778 -5.99531 0.415395 -20.3946 9.56738 -24.3576 -3.40992 TIMING: 618000 CPU: 1953.18, 0.00314195/step Wall: 1953.18, 0.00314195/step, 3.82445 hours remaining, 233.843750 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: 618000 3924.3494 20436.8890 14554.2553 235.2098 -203350.5048 2551.5710 0.0000 0.0000 51882.3294 -109765.9009 298.1685 -161648.2303 -109387.7405 298.6628 144.6936 171.4597 760620.9558 6.3768 6.4021 PRESSURE: 618200 220.905 82.68 40.3456 82.6797 -50.2794 -100.066 40.3461 -100.066 -111.067 GPRESSURE: 618200 251.884 63.7667 5.77148 78.2814 8.64917 -94.9359 -35.0197 -53.9292 -108.345 PRESSAVG: 618200 23.8668 1.59162 -28.021 1.59154 23.7543 -1.78604 -28.021 -1.78608 1.5419 GPRESSAVG: 618200 23.5172 4.24692 -29.2418 1.64478 23.6893 -3.55956 -26.3572 -1.11252 2.44408 TIMING: 618200 CPU: 1953.8, 0.00312805/step Wall: 1953.8, 0.00312805/step, 3.80735 hours remaining, 233.843750 MB of memory in use. ENERGY: 618200 3942.3216 20536.2564 14485.0224 247.4918 -203442.4205 2592.8723 0.0000 0.0000 51767.7567 -109870.6993 297.5100 -161638.4560 -109514.4492 298.4218 19.8530 50.7296 761291.7382 16.3877 16.5502 PRESSURE: 618400 66.2487 -358.211 -82.0817 -358.21 54.5058 -67.364 -82.0811 -67.3632 -189.125 GPRESSURE: 618400 102.93 -265.337 -44.1652 -208.22 -13.7191 3.5175 -159.047 -161.61 -85.0007 PRESSAVG: 618400 -12.0189 -30.8571 -28.1683 -30.8572 5.42983 -48.4488 -28.1683 -48.4489 -6.52918 GPRESSAVG: 618400 -11.5273 -29.4571 -28.2717 -30.7639 5.47855 -46.1051 -27.8369 -48.9527 -7.60019 TIMING: 618400 CPU: 1954.43, 0.00314783/step Wall: 1954.43, 0.00314783/step, 3.83126 hours remaining, 233.843750 MB of memory in use. ENERGY: 618400 4009.1632 20430.8170 14511.2539 237.6435 -203789.2961 2873.9370 0.0000 0.0000 52010.5977 -109715.8837 298.9056 -161726.4815 -109342.5630 297.9681 -22.7902 1.4034 762137.4192 -4.3728 -4.5496 PRESSURE: 618600 -81.2079 -24.6919 0.452434 -24.6915 -290.401 -199.722 0.452791 -199.722 -268.738 GPRESSURE: 618600 -34.3971 84.7431 54.7053 -59.4317 -201.346 -167.16 59.8664 -117.849 -332.918 PRESSAVG: 618600 15.451 -5.56936 42.1067 -5.56939 -3.23067 -45.4533 42.1067 -45.4532 12.6616 GPRESSAVG: 618600 14.3069 -5.8874 41.6574 -4.96965 -1.86108 -46.247 39.6714 -45.5723 12.5378 TIMING: 618600 CPU: 1955.06, 0.00313086/step Wall: 1955.06, 0.00313086/step, 3.81043 hours remaining, 233.843750 MB of memory in use. ENERGY: 618600 3924.0380 20396.9518 14426.9304 257.0921 -203611.8181 2617.3279 0.0000 0.0000 52275.4746 -109714.0033 300.4279 -161989.4779 -109350.9546 298.6343 -213.4487 -189.5538 761751.9678 8.2940 8.3279 PRESSURE: 618800 47.1412 -127.212 36.8591 -127.212 107.168 -7.8865 36.8597 -7.88658 -423.227 GPRESSURE: 618800 8.18021 -309.435 42.6241 -45.42 121.251 -74.1246 79.035 -74.4341 -310.048 PRESSAVG: 618800 -11.4618 48.7423 11.1649 48.7423 25.7616 -32.8738 11.1649 -32.8738 -13.3852 GPRESSAVG: 618800 -10.5598 49.0816 10.931 45.8883 24.5561 -34.5374 12.8517 -30.9224 -12.9225 TIMING: 618800 CPU: 1955.68, 0.00312302/step Wall: 1955.68, 0.00312301/step, 3.80071 hours remaining, 233.843750 MB of memory in use. ENERGY: 618800 3937.2423 20641.5527 14546.9904 238.7489 -204097.8277 3082.4480 0.0000 0.0000 51963.1082 -109687.7372 298.6327 -161650.8454 -109331.5604 298.6810 -89.6393 -60.2056 761991.1941 0.3049 0.3579 PRESSURE: 619000 45.6166 -64.8168 53.5283 -64.8174 -130.288 -52.0457 53.5289 -52.0456 101.246 GPRESSURE: 619000 142.88 21.6796 107.369 -106.781 -157.866 -144.352 -23.1975 75.5322 102.559 PRESSAVG: 619000 6.94348 11.7749 30.4992 11.7749 26.6199 -26.2097 30.4992 -26.2098 15.5261 GPRESSAVG: 619000 7.22322 11.021 32.6195 13.4224 26.1971 -24.9376 28.6674 -27.7536 15.4759 TIMING: 619000 CPU: 1956.31, 0.00312073/step Wall: 1956.31, 0.00312073/step, 3.79775 hours remaining, 233.843750 MB of memory in use. ENERGY: 619000 3864.1104 20675.0146 14493.3677 256.8732 -203383.9386 2569.9054 0.0000 0.0000 51869.9465 -109654.7208 298.0973 -161524.6673 -109295.8881 298.8487 5.5249 29.1909 762947.5728 16.3632 16.2988 PRESSURE: 619200 -162.725 -28.5333 -10.8809 -28.5327 -151.226 -94.2836 -10.8823 -94.283 -217.43 GPRESSURE: 619200 -176.854 -87.4984 20.763 46.2738 -87.041 -27.5002 30.7432 -42.6805 -195.551 PRESSAVG: 619200 24.2469 5.8577 35.8987 5.85775 -13.4294 -10.3939 35.8988 -10.3939 6.87582 GPRESSAVG: 619200 24.1339 6.6891 35.6932 6.04465 -12.6163 -12.7405 35.8135 -9.41457 5.73891 TIMING: 619200 CPU: 1956.93, 0.00314283/step Wall: 1956.93, 0.00314283/step, 3.82447 hours remaining, 233.843750 MB of memory in use. ENERGY: 619200 3966.2940 20598.3160 14538.8644 269.4509 -203693.4467 2601.7964 0.0000 0.0000 52071.8536 -109646.8713 299.2577 -161718.7249 -109284.5818 298.6700 -177.1271 -153.1488 761215.5477 5.8978 5.7522 PRESSURE: 619400 -78.4275 51.9516 -70.8266 51.9516 -502.215 210.633 -70.8276 210.632 -524.242 GPRESSURE: 619400 -121.395 80.0421 -80.2222 113.389 -421.588 131.246 10.5536 195.644 -441.577 PRESSAVG: 619400 22.9864 27.354 32.1347 27.354 4.65146 -39.4978 32.1347 -39.4979 12.5863 GPRESSAVG: 619400 23.0647 27.6804 29.0015 28.0939 4.75309 -39.2939 35.5675 -39.1211 13.3691 TIMING: 619400 CPU: 1957.56, 0.00313577/step Wall: 1957.56, 0.00313577/step, 3.81571 hours remaining, 233.843750 MB of memory in use. ENERGY: 619400 4088.1417 20529.7879 14512.3642 244.4016 -202842.8620 2110.7457 0.0000 0.0000 51816.3203 -109541.1006 297.7891 -161357.4209 -109187.9200 298.9685 -368.2947 -328.1864 762631.3422 13.4081 13.7289 PRESSURE: 619600 -496.034 -274.33 -33.5915 -274.33 20.0187 -44.2956 -33.5919 -44.2961 -88.4304 GPRESSURE: 619600 -399.611 -301.243 -10.8779 -196.854 27.7412 -27.9949 -43.2423 -44.2944 -95.9335 PRESSAVG: 619600 -53.4987 27.3663 -18.7804 27.3663 50.8048 8.30374 -18.7804 8.30373 7.75857 GPRESSAVG: 619600 -52.4589 25.2306 -17.7016 25.5703 49.575 9.9789 -20.6462 8.04835 8.3289 TIMING: 619600 CPU: 1958.19, 0.00313641/step Wall: 1958.19, 0.00313641/step, 3.81632 hours remaining, 233.843750 MB of memory in use. ENERGY: 619600 3969.0192 20620.6495 14524.4130 238.1073 -203287.6432 2396.3221 0.0000 0.0000 51833.3748 -109705.7574 297.8871 -161539.1322 -109341.2881 298.6478 -188.1486 -155.9346 762221.1004 1.6882 1.8150 PRESSURE: 619800 -45.9711 -7.35954 -66.7252 -7.35933 -70.0216 45.9709 -66.7251 45.9701 168.295 GPRESSURE: 619800 -28.0452 112.027 -34.4075 103.873 -53.7294 -48.0312 -44.874 40.8337 220.704 PRESSAVG: 619800 33.6052 33.3515 -7.72869 33.3515 -20.1624 -48.2631 -7.72867 -48.2631 -12.8325 GPRESSAVG: 619800 33.3669 33.5572 -7.26873 33.8368 -19.5782 -49.0615 -8.34423 -48.0232 -13.4947 TIMING: 619800 CPU: 1958.82, 0.00314158/step Wall: 1958.82, 0.00314158/step, 3.82243 hours remaining, 233.843750 MB of memory in use. ENERGY: 619800 3994.2640 20575.4408 14408.7104 243.4412 -203452.7495 2574.9368 0.0000 0.0000 52013.4220 -109642.5342 298.9219 -161655.9562 -109285.6194 298.7172 17.4342 46.3099 764513.7739 0.2034 0.0980 PRESSURE: 620000 236.976 -52.879 -139.021 -52.8795 502.631 123.539 -139.021 123.539 64.0767 GPRESSURE: 620000 388.283 -80.2217 -170.263 -77.8471 468.322 208.46 -86.8737 24.341 33.0735 PRESSAVG: 620000 -41.7105 36.6222 44.9643 36.6222 46.5054 10.3738 44.9643 10.3739 21.3025 GPRESSAVG: 620000 -42.3575 37.72 44.6898 36.5586 46.5198 9.94762 46.0726 8.88774 22.1941 TIMING: 620000 CPU: 1959.45, 0.00314682/step Wall: 1959.45, 0.00314683/step, 3.82864 hours remaining, 233.843750 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: 620000 4029.8054 20503.4471 14441.9812 250.6959 -204033.0502 3292.5511 0.0000 0.0000 51856.9478 -109657.6216 298.0226 -161514.5695 -109293.9900 298.8153 267.8947 296.5594 761817.4886 8.6991 8.7855 PRESSURE: 620200 125.224 153.741 260.41 153.74 -87.5565 -63.7777 260.41 -63.7781 -258.863 GPRESSURE: 620200 125.087 60.6652 262.077 124.573 -26.1238 -36.3078 289.747 -20.7457 -233.406 PRESSAVG: 620200 45.8803 -18.6456 18.6975 -18.6456 17.8235 -26.9715 18.6976 -26.9715 33.7915 GPRESSAVG: 620200 45.4462 -17.82 19.6575 -19.3007 17.9829 -25.9875 18.4889 -25.9796 34.2741 TIMING: 620200 CPU: 1960.07, 0.00314573/step Wall: 1960.07, 0.00314573/step, 3.82713 hours remaining, 233.843750 MB of memory in use. ENERGY: 620200 3976.6915 20558.1536 14440.3788 250.4850 -203766.6607 2668.2683 0.0000 0.0000 52278.8026 -109593.8807 300.4470 -161872.6834 -109224.8787 299.0354 -73.7318 -44.8142 762964.6020 32.4984 32.5677 LDB: ============= START OF LOAD BALANCING ============== 1972.6 LDB: ============== END OF LOAD BALANCING =============== 1972.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1972.61 LDB: ============= START OF LOAD BALANCING ============== 1972.92 LDB: Largest compute 7050 load 0.030142 is 15.4% of average load 0.195180 LDB: Average compute 0.004385 is 2.2% of average load 0.195180 LDB: TIME 1972.92 LOAD: AVG 0.19518 MAX 0.214394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.801 MB LDB: TIME 1972.92 LOAD: AVG 0.19518 MAX 0.214394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: TIME 1972.92 LOAD: AVG 0.19518 MAX 0.214394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.801 MB LDB: ============== END OF LOAD BALANCING =============== 1972.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1972.93 PRESSURE: 620400 -147.945 45.8135 29.2733 45.8132 -219.619 17.7502 29.2734 17.7498 -280.699 GPRESSURE: 620400 -118.28 122.902 31.3276 -50.4302 -237.954 78.0239 3.4711 -62.2416 -190.401 PRESSAVG: 620400 21.0517 24.7827 35.4045 24.7827 -18.968 -28.6791 35.4046 -28.6791 -29.9972 GPRESSAVG: 620400 21.1131 24.5304 35.3922 22.4503 -17.3352 -28.8197 34.6752 -28.5169 -31.3458 TIMING: 620400 CPU: 1960.72, 0.00320148/step Wall: 1960.72, 0.00320148/step, 3.89478 hours remaining, 233.625000 MB of memory in use. ENERGY: 620400 3993.3054 20562.2003 14501.6771 254.7624 -203438.3508 2621.3971 0.0000 0.0000 51965.6271 -109539.3814 298.6472 -161505.0084 -109175.0637 299.4056 -216.0874 -182.2116 761774.6633 -9.3045 -9.1893 PRESSURE: 620600 -361.991 -62.49 86.1073 -62.4901 -303.885 187.781 86.1081 187.782 -212.713 GPRESSURE: 620600 -285.135 -132.958 47.188 71.3914 -366.97 116.671 35.5845 229.476 -144.125 PRESSAVG: 620600 2.65189 -6.66491 6.48911 -6.66491 -29.3017 24.1712 6.4891 24.1714 15.9892 GPRESSAVG: 620600 3.9124 -5.98253 4.44394 -3.85813 -31.4011 24.756 6.81172 24.997 16.7484 TIMING: 620600 CPU: 1961.35, 0.00315998/step Wall: 1961.35, 0.00315998/step, 3.84412 hours remaining, 233.828125 MB of memory in use. ENERGY: 620600 3978.0800 20625.3824 14454.1591 264.6214 -203315.4574 2427.5709 0.0000 0.0000 52082.7277 -109482.9159 299.3202 -161565.6436 -109116.8676 299.0602 -292.8630 -265.4102 762505.9716 -3.5535 -3.5801 PRESSURE: 620800 266.931 2.62923 32.3361 2.62915 694.628 -123.284 32.3366 -123.284 494.481 GPRESSURE: 620800 379.427 -112.412 -3.8126 27.8515 609.766 -182.795 34.9555 -22.8145 554.115 PRESSAVG: 620800 -9.53621 39.2424 -5.24896 39.2424 42.0286 27.1288 -5.249 27.1288 6.02487 GPRESSAVG: 620800 -9.78676 39.5508 -3.37234 39.4635 43.6596 26.5977 -5.20485 27.5739 4.57074 TIMING: 620800 CPU: 1961.98, 0.00314455/step Wall: 1961.98, 0.00314455/step, 3.82518 hours remaining, 233.828125 MB of memory in use. ENERGY: 620800 4008.9618 20507.3423 14457.1934 238.7419 -203930.0602 3092.7104 0.0000 0.0000 52173.0030 -109452.1073 299.8390 -161625.1104 -109089.5008 299.3388 485.3465 514.4362 760018.1751 12.8391 12.8145 PRESSURE: 621000 85.4303 28.5703 145.131 28.5703 81.0597 5.26578 145.13 5.26467 164.606 GPRESSURE: 621000 94.0355 84.2109 66.5689 39.6609 98.8926 16.8828 243.641 5.61707 200.47 PRESSAVG: 621000 18.6519 -1.85949 -63.8693 -1.85944 -48.8625 53.0194 -63.8693 53.0195 22.323 GPRESSAVG: 621000 17.9211 -3.26313 -64.3726 -1.5805 -47.8048 52.6008 -63.337 52.26 22.3639 TIMING: 621000 CPU: 1962.6, 0.00313667/step Wall: 1962.6, 0.00313667/step, 3.81541 hours remaining, 233.828125 MB of memory in use. ENERGY: 621000 4026.0350 20625.1937 14491.0689 252.6276 -203632.1239 2865.6855 0.0000 0.0000 52009.8635 -109361.6497 298.9014 -161371.5132 -109005.8360 299.2186 110.3653 131.1328 762130.5227 -2.6292 -2.5066 PRESSURE: 621200 -374.608 75.4797 36.5367 75.4789 11.1325 -101.84 36.5375 -101.839 -218.237 GPRESSURE: 621200 -323.152 30.0248 -30.9864 72.8694 33.9263 -141.183 95.592 -179.831 -212.509 PRESSAVG: 621200 39.7168 -10.0457 -30.8295 -10.0458 -40.1293 -23.9301 -30.8295 -23.9302 -3.17589 GPRESSAVG: 621200 39.8422 -9.0897 -32.4733 -10.2342 -40.5618 -23.7396 -28.7421 -25.5539 -2.64534 TIMING: 621200 CPU: 1963.23, 0.00313719/step Wall: 1963.23, 0.00313719/step, 3.81587 hours remaining, 233.828125 MB of memory in use. ENERGY: 621200 4027.3977 20561.7699 14461.0337 263.5377 -203453.6467 2652.3945 0.0000 0.0000 52175.9541 -109311.5592 299.8559 -161487.5133 -108941.1620 299.2495 -193.9043 -167.2449 760897.4878 -1.1961 -1.1216 PRESSURE: 621400 354.481 -62.4394 -138.195 -62.4391 477.261 85.2741 -138.195 85.2734 -5.35519 GPRESSURE: 621400 382.25 -66.8017 -233.145 -93.2632 436.792 41.9635 -90.6976 150.515 121.08 PRESSAVG: 621400 -41.8645 23.1945 -14.9587 23.1946 69.2058 -68.3309 -14.9587 -68.3309 -21.877 GPRESSAVG: 621400 -41.5632 20.429 -14.1174 23.1908 68.8476 -68.6242 -15.1765 -67.7233 -21.4233 TIMING: 621400 CPU: 1963.85, 0.0031097/step Wall: 1963.85, 0.0031097/step, 3.78226 hours remaining, 233.828125 MB of memory in use. ENERGY: 621400 4056.7419 20753.2052 14496.0498 243.1671 -203816.4369 3001.0145 0.0000 0.0000 51753.8750 -109512.3835 297.4302 -161266.2584 -109159.0628 299.3592 275.4620 313.3740 761890.5507 1.8214 1.9537 PRESSURE: 621600 -292.001 40.0611 -17.6632 40.0612 -169.234 -160.673 -17.663 -160.674 34.8064 GPRESSURE: 621600 -319.952 -78.1357 -26.1407 -19.9989 -89.3308 -155.937 39.1813 -231.629 84.9558 PRESSAVG: 621600 -0.19255 -8.72463 37.3338 -8.72467 -33.3279 -27.6198 37.3338 -27.6199 10.5433 GPRESSAVG: 621600 0.0667663 -7.36543 39.1751 -9.05359 -32.4001 -25.8069 34.7765 -27.295 10.0438 TIMING: 621600 CPU: 1964.48, 0.00312252/step Wall: 1964.48, 0.00312252/step, 3.79767 hours remaining, 233.828125 MB of memory in use. ENERGY: 621600 4039.7676 20629.4201 14379.7858 245.5716 -203349.9272 2629.0718 0.0000 0.0000 51737.0485 -109689.2619 297.3335 -161426.3104 -109326.4046 298.2747 -142.1429 -108.1090 762471.1596 -7.6591 -7.4298 PRESSURE: 621800 388.399 59.4442 -128.62 59.4445 30.4653 -104.928 -128.621 -104.928 -327.648 GPRESSURE: 621800 480.345 40.8832 -38.4122 107.785 -46.637 -128.697 -164.159 -38.9548 -261.006 PRESSAVG: 621800 47.2764 -2.00529 20.3795 -2.00533 -27.5985 -14.346 20.3795 -14.346 18.4957 GPRESSAVG: 621800 48.3181 -0.327611 21.145 -3.70218 -28.1584 -14.7327 18.6848 -12.6553 18.4083 TIMING: 621800 CPU: 1965.11, 0.00315058/step Wall: 1965.11, 0.00315058/step, 3.83163 hours remaining, 233.828125 MB of memory in use. ENERGY: 621800 3977.3806 20568.8131 14406.1260 260.3901 -203834.5373 2858.5331 0.0000 0.0000 51994.8774 -109768.4169 298.8153 -161763.2943 -109401.6478 297.6569 30.4052 57.5671 760861.6739 12.7246 12.8560 PRESSURE: 622000 129.746 83.9648 -271.736 83.9653 193.026 -123.342 -271.736 -123.342 -295.675 GPRESSURE: 622000 92.3692 29.5631 -252.032 63.533 288.895 -156.552 -134.945 -97.4643 -253.628 PRESSAVG: 622000 54.4213 1.35207 -36.0328 1.35207 -48.9122 -27.7709 -36.0329 -27.771 11.3476 GPRESSAVG: 622000 52.1958 1.05638 -35.141 0.983376 -47.2017 -29.2308 -34.9471 -27.5392 11.4625 TIMING: 622000 CPU: 1965.74, 0.00314583/step Wall: 1965.74, 0.00314583/step, 3.82568 hours remaining, 233.828125 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: 622000 4012.6799 20529.6445 14374.0533 246.7617 -203670.1336 2914.3905 0.0000 0.0000 51968.6552 -109623.9485 298.6646 -161592.6037 -109254.7815 298.4814 9.0324 42.5455 761039.8331 5.6189 5.4855 PRESSURE: 622200 -55.4707 -51.8649 -106.027 -51.8648 86.3823 50.1903 -106.026 50.1907 -7.50507 GPRESSURE: 622200 -79.4486 -48.2251 -100.681 -38.1157 142.506 66.8811 -94.9106 46.1026 46.2633 PRESSAVG: 622200 -9.91116 19.4656 25.0021 19.4656 29.378 22.8748 25.0021 22.875 8.09765 GPRESSAVG: 622200 -7.40881 17.7409 22.3516 21.5022 27.0139 23.2948 25.9456 21.9545 8.02014 TIMING: 622200 CPU: 1966.36, 0.00313639/step Wall: 1966.36, 0.00313639/step, 3.81402 hours remaining, 233.828125 MB of memory in use. ENERGY: 622200 4037.9290 20488.8443 14454.4006 262.2906 -203657.8955 2749.1776 0.0000 0.0000 51900.5234 -109764.7300 298.2730 -161665.2534 -109402.7701 298.5943 7.8022 36.4402 759576.0149 9.1882 9.2084 PRESSURE: 622400 -285.975 -15.0533 179.545 -15.0529 -103.374 179.732 179.545 179.731 4.11433 GPRESSURE: 622400 -293.776 -70.9636 197.639 5.78305 -77.0825 144.708 180.024 264.231 47.8217 PRESSAVG: 622400 -75.6688 8.30914 -5.80841 8.30915 18.7142 43.1876 -5.80838 43.1876 -9.88799 GPRESSAVG: 622400 -75.9845 7.87004 -6.16815 8.75487 18.7548 43.8355 -4.24884 41.0643 -9.54198 TIMING: 622400 CPU: 1966.99, 0.00312058/step Wall: 1966.99, 0.00312057/step, 3.79462 hours remaining, 233.828125 MB of memory in use. ENERGY: 622400 4011.2289 20634.4607 14513.8295 254.7718 -203595.1292 2674.7391 0.0000 0.0000 51800.7580 -109705.3413 297.6997 -161506.0993 -109350.9952 298.0793 -128.4116 -107.6789 762170.8172 -22.2809 -22.2572 PRESSURE: 622600 -291.393 82.5393 65.2293 82.5397 -316.956 -44.1129 65.2295 -44.1137 -412.42 GPRESSURE: 622600 -249.743 93.5636 29.4658 117.621 -319.042 -26.0105 -58.7162 49.756 -367.098 PRESSAVG: 622600 -7.75501 39.7656 -58.8563 39.7657 17.8297 -41.1946 -58.8563 -41.1945 15.6444 GPRESSAVG: 622600 -7.90423 39.6229 -57.7609 38.7106 18.4077 -43.1322 -59.9062 -39.477 15.1522 TIMING: 622600 CPU: 1967.62, 0.00314747/step Wall: 1967.62, 0.00314747/step, 3.82715 hours remaining, 233.828125 MB of memory in use. ENERGY: 622600 3969.1991 20531.0241 14495.0205 234.1753 -203239.7835 2555.0807 0.0000 0.0000 51800.2195 -109655.0644 297.6966 -161455.2839 -109288.6170 298.8483 -340.2567 -311.9609 761415.4147 8.5731 8.5519 PRESSURE: 622800 -68.2052 63.99 -60.2992 63.9907 203.264 258.885 -60.2995 258.885 428.372 GPRESSURE: 622800 -28.7235 36.9987 -72.9145 18.1024 175.875 282.115 17.1292 264.614 524.086 PRESSAVG: 622800 -37.6656 41.8419 -46.7427 41.8419 -5.08691 61.8303 -46.7427 61.8303 -11.5795 GPRESSAVG: 622800 -38.0803 43.3659 -45.9102 41.5708 -6.23284 65.1449 -46.8081 60.8759 -9.99138 TIMING: 622800 CPU: 1968.25, 0.0031428/step Wall: 1968.25, 0.0031428/step, 3.82129 hours remaining, 233.828125 MB of memory in use. ENERGY: 622800 3915.9571 20591.7755 14473.1510 240.7341 -203599.9945 2828.1888 0.0000 0.0000 51800.9592 -109749.2287 297.7008 -161550.1879 -109389.5069 298.2111 187.8104 223.7459 762058.6046 -18.1107 -18.1015 PRESSURE: 623000 -146.278 -33.8213 -68.0772 -33.8206 187.99 320.156 -68.077 320.156 65.7624 GPRESSURE: 623000 -96.549 -18.7377 -12.7469 -26.0009 182.492 342.118 30.8302 79.5335 99.0014 PRESSAVG: 623000 -33.7861 21.1502 19.2933 21.1502 54.706 -14.5894 19.2933 -14.5894 13.6192 GPRESSAVG: 623000 -33.3701 21.396 18.4854 19.7789 56.0903 -16.8722 18.5864 -12.8393 12.1196 TIMING: 623000 CPU: 1968.88, 0.0031478/step Wall: 1968.88, 0.0031478/step, 3.8272 hours remaining, 233.828125 MB of memory in use. ENERGY: 623000 4057.2639 20610.8297 14499.6636 239.3818 -203746.7961 2855.7358 0.0000 0.0000 51901.9487 -109581.9726 298.2812 -161483.9213 -109216.5245 298.3341 35.8248 61.6480 762243.3465 11.5130 11.6133 PRESSURE: 623200 -55.446 202.695 47.6173 202.695 -48.2748 -9.98088 47.6164 -9.98091 -193.299 GPRESSURE: 623200 -22.5855 197.423 130.303 137.281 -59.7518 -3.60641 -43.3677 -72.6308 -152.472 PRESSAVG: 623200 -8.44327 48.8937 46.6323 48.8937 -29.4692 15.1556 46.6324 15.1556 -2.65783 GPRESSAVG: 623200 -8.27514 47.9269 46.4863 52.9126 -29.6443 16.8713 48.3293 13.345 -2.46576 TIMING: 623200 CPU: 1969.5, 0.00314236/step Wall: 1969.5, 0.00314236/step, 3.82041 hours remaining, 233.828125 MB of memory in use. ENERGY: 623200 4032.8403 20525.0188 14506.9537 239.4379 -203631.5237 3024.2698 0.0000 0.0000 51743.8894 -109559.1138 297.3728 -161303.0032 -109197.1099 297.9665 -99.0067 -78.2696 763719.9387 -13.5234 -13.4617 PRESSURE: 623400 22.8236 184.281 27.2821 184.281 173.687 -16.2695 27.2815 -16.2695 -52.4939 GPRESSURE: 623400 48.2216 140.809 -16.351 146.563 163.03 5.2463 -145.274 -90.0146 12.0838 PRESSAVG: 623400 30.2283 75.3 24.4207 75.3 -45.2184 8.38825 24.4207 8.38826 -20.087 GPRESSAVG: 623400 30.3488 76.5092 25.9231 73.772 -45.1267 7.27622 22.4949 10.6773 -20.7257 TIMING: 623400 CPU: 1970.13, 0.00314974/step Wall: 1970.13, 0.00314974/step, 3.82921 hours remaining, 233.828125 MB of memory in use. ENERGY: 623400 3957.1293 20503.6512 14483.5565 236.3561 -203610.6581 2902.3243 0.0000 0.0000 51822.7718 -109704.8689 297.8262 -161527.6407 -109348.6230 298.1403 48.0057 74.4452 762570.0185 -11.6924 -11.8345 PRESSURE: 623600 33.1213 -179.658 -96.7865 -179.658 -311.89 -17.8218 -96.7864 -17.8215 -219.956 GPRESSURE: 623600 40.7791 -108.458 -105.073 -202.968 -184.567 -47.12 -92.4176 25.0939 -254.735 PRESSAVG: 623600 -31.3911 26.5325 41.5443 26.5325 39.1581 14.6518 41.5442 14.6519 1.82517 GPRESSAVG: 623600 -31.7552 23.3596 41.0005 28.4746 39.5038 14.2478 41.2529 13.3627 2.09336 TIMING: 623600 CPU: 1970.76, 0.00314218/step Wall: 1970.76, 0.00314218/step, 3.81984 hours remaining, 233.828125 MB of memory in use. ENERGY: 623600 4000.9357 20450.6638 14536.3054 244.6660 -203672.8364 2810.7667 0.0000 0.0000 51826.0146 -109803.4841 297.8448 -161629.4987 -109446.3648 298.2311 -166.2415 -132.8411 762127.8438 3.1974 3.2807 PRESSURE: 623800 66.3705 -87.2917 281.167 -87.292 -240.95 159.737 281.167 159.737 -146.602 GPRESSURE: 623800 121.973 -15.0828 248.583 -29.2672 -239.924 148.711 297.939 267.578 -130.954 PRESSAVG: 623800 -22.7485 -3.325 20.079 -3.32503 13.4418 -0.182816 20.079 -0.182834 28.5058 GPRESSAVG: 623800 -23.6661 -1.64037 20.2478 -4.7362 14.6931 -0.100702 22.0681 0.0944115 28.249 TIMING: 623800 CPU: 1971.39, 0.00312094/step Wall: 1971.39, 0.00312094/step, 3.79385 hours remaining, 233.828125 MB of memory in use. ENERGY: 623800 4108.7787 20656.6288 14478.9957 230.7948 -203310.3595 2581.6475 0.0000 0.0000 51854.2012 -109399.3129 298.0068 -161253.5141 -109042.2560 298.5191 -107.0604 -82.9686 761409.1015 6.3997 6.4253 PRESSURE: 624000 138.545 105.676 -64.1796 105.675 42.267 -73.186 -64.1792 -73.1865 -343.35 GPRESSURE: 624000 128.428 135.212 -95.3488 118.424 96.9985 -26.5223 -14.4107 -142.207 -321.741 PRESSAVG: 624000 -50.6034 24.3918 -37.7506 24.3918 40.7412 27.1592 -37.7506 27.1591 -5.08646 GPRESSAVG: 624000 -50.6265 25.1563 -38.1531 23.4713 39.3494 29.407 -39.4169 25.7262 -4.30989 TIMING: 624000 CPU: 1972.02, 0.00316645/step Wall: 1972.02, 0.00316645/step, 3.84899 hours remaining, 233.828125 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: 624000 3996.4756 20698.4738 14487.1671 271.3939 -203230.4441 2630.0004 0.0000 0.0000 51935.0805 -109211.8529 298.4716 -161146.9334 -108852.1062 299.3764 -54.1793 -32.1048 761659.5409 -4.9829 -5.1957 PRESSURE: 624200 140.703 36.8808 -17.1423 36.8813 -12.3994 -47.4577 -17.1426 -47.4578 -188.182 GPRESSURE: 624200 193.608 56.4232 -87.5614 100.49 -62.0351 -65.3006 -58.6002 50.919 -104.192 PRESSAVG: 624200 -17.5002 11.8731 -38.6705 11.8731 6.94092 -54.7202 -38.6704 -54.7202 31.1159 GPRESSAVG: 624200 -16.8169 10.0086 -38.5132 12.7334 6.5989 -55.626 -37.2135 -54.3071 30.5166 TIMING: 624200 CPU: 1972.65, 0.00316463/step Wall: 1972.65, 0.00316463/step, 3.84661 hours remaining, 233.828125 MB of memory in use. ENERGY: 624200 4040.1483 20663.9318 14456.8788 243.8446 -203356.9638 2688.0826 0.0000 0.0000 52099.1626 -109164.9151 299.4146 -161264.0777 -108802.4810 299.6585 -19.9597 9.1270 762752.8744 6.8522 6.7662 LDB: ============= START OF LOAD BALANCING ============== 1985.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1985.18 LDB: =============== DONE WITH MIGRATION ================ 1985.19 LDB: ============= START OF LOAD BALANCING ============== 1985.5 LDB: Largest compute 7057 load 0.030482 is 15.6% of average load 0.195393 LDB: Average compute 0.004382 is 2.2% of average load 0.195393 LDB: TIME 1985.5 LOAD: AVG 0.195393 MAX 0.213827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.113 MB LDB: TIME 1985.5 LOAD: AVG 0.195393 MAX 0.213827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.316 MB LDB: TIME 1985.5 LOAD: AVG 0.195393 MAX 0.213827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.316 MB LDB: ============== END OF LOAD BALANCING =============== 1985.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1985.51 PRESSURE: 624400 18.3505 -83.6234 125.062 -83.6232 -49.7659 -15.1564 125.064 -15.1564 35.9349 GPRESSURE: 624400 6.20096 -64.7504 114.426 -204.528 79.7375 -15.9467 169.161 15.8516 28.4487 PRESSAVG: 624400 8.58722 2.684 8.7834 2.684 10.3599 -24.63 8.78345 -24.63 -14.7781 GPRESSAVG: 624400 8.8775 2.99989 6.2494 2.52524 9.87227 -24.6013 8.45218 -22.4123 -14.1859 TIMING: 624400 CPU: 1973.29, 0.00319242/step Wall: 1973.29, 0.00319241/step, 3.8802 hours remaining, 231.773438 MB of memory in use. ENERGY: 624400 3953.7801 20579.8138 14458.4990 254.9062 -203540.2608 2778.9529 0.0000 0.0000 52181.7070 -109332.6018 299.8890 -161514.3088 -108964.6276 299.5350 1.5065 38.1290 761354.8157 1.3897 1.5213 PRESSURE: 624600 -21.4887 -141.411 112.812 -141.411 -274.215 103.736 112.812 103.737 221.597 GPRESSURE: 624600 10.3153 -74.4634 67.6061 -172.959 -248.211 189.48 173.643 -72.168 236.389 PRESSAVG: 624600 0.753337 -4.09293 -26.7596 -4.09293 -5.30079 -11.6896 -26.7596 -11.6895 30.8798 GPRESSAVG: 624600 0.909048 -2.34818 -24.4741 -5.9284 -4.25091 -10.738 -26.8085 -13.2459 29.6799 TIMING: 624600 CPU: 1973.92, 0.00314843/step Wall: 1973.92, 0.00314843/step, 3.82657 hours remaining, 231.773438 MB of memory in use. ENERGY: 624600 4058.6486 20741.6697 14437.3957 238.3341 -203614.8300 2880.2202 0.0000 0.0000 51812.8689 -109445.6927 297.7693 -161258.5617 -109093.1327 298.8128 -24.7023 -0.5023 761680.5711 8.7774 8.7793 PRESSURE: 624800 -93.1978 -307.918 -74.3428 -307.917 -319.647 -16.7498 -74.343 -16.7504 -286.16 GPRESSURE: 624800 -108.454 -191.716 -62.7413 -204.457 -306.566 4.89615 -56.1305 55.2505 -224.539 PRESSAVG: 624800 -25.4129 -9.47531 -1.08511 -9.47533 28.5333 -15.3522 -1.08513 -15.3522 -17.6853 GPRESSAVG: 624800 -25.2755 -12.2404 -0.692132 -6.99691 27.8616 -15.9208 0.321169 -15.9409 -17.1706 TIMING: 624800 CPU: 1974.55, 0.00313029/step Wall: 1974.55, 0.00313029/step, 3.80435 hours remaining, 231.773438 MB of memory in use. ENERGY: 624800 3980.2611 20578.6898 14404.7356 238.3074 -203395.7907 2687.2395 0.0000 0.0000 51885.8276 -109620.7298 298.1886 -161506.5574 -109247.6080 298.7660 -233.0015 -213.1862 762824.5695 -4.8550 -4.8615 PRESSURE: 625000 -407.102 -151.456 -39.6182 -151.457 122.679 -38.8891 -39.6187 -38.8896 -64.1313 GPRESSURE: 625000 -366.985 -128.075 -93.4732 -161.786 125.403 -53.1484 -17.6573 -95.3535 -41.6659 PRESSAVG: 625000 2.35667 -14.1686 54.885 -14.1686 -14.2156 -33.2667 54.8851 -33.2666 -41.557 GPRESSAVG: 625000 2.5109 -14.0289 53.0764 -16.9896 -14.0274 -35.5197 53.5173 -34.5591 -41.7665 TIMING: 625000 CPU: 1975.18, 0.00314412/step Wall: 1975.18, 0.00314412/step, 3.82098 hours remaining, 231.773438 MB of memory in use. ENERGY: 625000 4039.1532 20553.6279 14477.9745 235.9847 -203728.8120 2828.7357 0.0000 0.0000 52098.3786 -109494.9573 299.4101 -161593.3359 -109121.2209 298.8407 -116.1848 -94.4159 763406.9287 -17.8053 -17.7610 PRESSURE: 625200 200.798 26.755 195.299 26.7558 189.492 100.075 195.3 100.076 92.9306 GPRESSURE: 625200 217.385 -49.5055 163.515 44.5295 207.895 86.2268 80.7488 49.6682 144.192 PRESSAVG: 625200 2.94487 -37.8673 36.7139 -37.8673 18.6988 -52.3413 36.714 -52.3414 -7.24676 GPRESSAVG: 625200 2.51157 -38.5797 37.2932 -33.7716 18.421 -51.0664 37.54 -50.7204 -6.97546 TIMING: 625200 CPU: 1975.8, 0.00313847/step Wall: 1975.8, 0.00313847/step, 3.81394 hours remaining, 231.773438 MB of memory in use. ENERGY: 625200 3953.5422 20382.9552 14484.6261 230.5234 -203232.3573 2662.7283 0.0000 0.0000 52186.7204 -109331.2618 299.9178 -161517.9822 -108968.0182 298.7834 161.0736 189.8242 761783.3019 4.7990 4.6524 PRESSURE: 625400 -122.28 -86.0908 -115.496 -86.091 -242.215 16.7503 -115.497 16.7501 -438.665 GPRESSURE: 625400 -195.057 -14.6859 -123.597 -147.433 -165.109 -45.9774 -34.2874 23.5046 -374.77 PRESSAVG: 625400 -40.647 -9.31088 9.55931 -9.31078 20.1847 -36.2358 9.55942 -36.2359 -6.39218 GPRESSAVG: 625400 -39.8238 -8.82938 9.925 -9.14062 20.3299 -36.1035 9.38423 -36.7424 -7.17441 TIMING: 625400 CPU: 1976.43, 0.00313966/step Wall: 1976.43, 0.00313966/step, 3.81521 hours remaining, 231.773438 MB of memory in use. ENERGY: 625400 3997.0782 20322.8580 14537.2729 240.5269 -203257.8400 2599.4794 0.0000 0.0000 52312.9658 -109247.6586 300.6433 -161560.6244 -108869.6192 299.3778 -267.7200 -244.9785 760855.0401 -8.9515 -8.8895 PRESSURE: 625600 -75.5469 117.878 -30.9314 117.878 14.784 22.0513 -30.931 22.0523 194.909 GPRESSURE: 625600 -7.39165 158.428 -15.7262 158.672 48.8707 -12.5481 -23.0677 -173.682 193.103 PRESSAVG: 625600 28.1534 -0.303374 -20.6533 -0.303463 1.6059 3.05526 -20.6533 3.05527 30.9883 GPRESSAVG: 625600 27.5516 -0.840813 -20.2713 -1.02907 1.6132 4.06484 -20.7213 3.36258 30.8429 TIMING: 625600 CPU: 1977.06, 0.00314106/step Wall: 1977.06, 0.00314106/step, 3.81674 hours remaining, 231.773438 MB of memory in use. ENERGY: 625600 3951.0847 20480.5738 14470.0649 254.5074 -203171.1658 2651.4036 0.0000 0.0000 52021.3531 -109342.1784 298.9674 -161363.5315 -108980.9457 299.1247 44.7154 78.1941 761023.1195 20.2492 20.0025 PRESSURE: 625800 -78.5661 -47.6005 98.9621 -47.601 -27.0529 267.342 98.9621 267.34 -323.662 GPRESSURE: 625800 -46.994 -47.2489 70.9025 -89.9146 -20.8454 330.36 84.4276 264.19 -268.379 PRESSAVG: 625800 -123.242 -38.031 -18.5352 -38.031 33.3921 24.2424 -18.5351 24.2423 -9.56636 GPRESSAVG: 625800 -124.53 -37.3874 -19.19 -40.3439 32.6313 22.323 -17.827 24.1585 -7.62448 TIMING: 625800 CPU: 1977.69, 0.00313247/step Wall: 1977.69, 0.00313247/step, 3.80613 hours remaining, 231.773438 MB of memory in use. ENERGY: 625800 4009.3414 20646.6127 14501.2726 261.3571 -203103.5343 2574.7273 0.0000 0.0000 52081.2929 -109028.9303 299.3119 -161110.2232 -108663.8115 299.1834 -143.0936 -112.0728 763066.6542 -33.1387 -33.1745 PRESSURE: 626000 7.33971 -43.8516 -90.5167 -43.8512 -53.3445 -203.039 -90.5161 -203.039 -50.1754 GPRESSURE: 626000 122.033 -53.896 28.6475 -107.339 -51.0832 -201.055 -135.653 -295.764 -80.4431 PRESSAVG: 626000 -92.6352 -23.2191 -28.8389 -23.2191 98.0855 39.5222 -28.8389 39.5222 14.1322 GPRESSAVG: 626000 -92.3365 -23.9013 -28.582 -21.5224 98.1555 39.445 -28.7002 39.3312 13.1824 TIMING: 626000 CPU: 1978.32, 0.00315184/step Wall: 1978.32, 0.00315184/step, 3.82949 hours remaining, 231.773438 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: 626000 4016.5799 20635.5400 14482.2899 243.7180 -202687.4244 2197.3134 0.0000 0.0000 52227.0616 -108884.9217 300.1496 -161111.9832 -108519.3924 299.8650 -32.0601 -3.1645 763184.2645 6.5275 6.3338 PRESSURE: 626200 -255.335 -48.1652 199.768 -48.1656 220.134 -24.4096 199.768 -24.4095 32.6362 GPRESSURE: 626200 -167.84 -50.7067 240.797 -62.0011 234.254 -24.9364 144.513 -111.476 23.3384 PRESSAVG: 626200 -89.7938 -2.78364 -39.7348 -2.78363 87.3835 -33.5421 -39.7348 -33.542 -1.20149 GPRESSAVG: 626200 -89.4706 0.463102 -40.5671 -2.43054 87.4639 -32.766 -41.09 -34.2695 -1.51212 TIMING: 626200 CPU: 1978.95, 0.00315388/step Wall: 1978.95, 0.00315388/step, 3.83179 hours remaining, 231.773438 MB of memory in use. ENERGY: 626200 4047.7467 20617.3610 14495.1057 254.2531 -203290.5306 2856.5399 0.0000 0.0000 52079.9387 -108939.5854 299.3041 -161019.5241 -108567.5379 300.1379 -0.8551 29.9174 762535.0180 -1.2039 -1.1730 PRESSURE: 626400 -88.8494 285.005 -69.3906 285.005 329.034 154.069 -69.39 154.068 166.028 GPRESSURE: 626400 -90.2521 235.026 -16.5999 202.19 401.49 50.5117 -50.0931 156.805 204.25 PRESSAVG: 626400 -41.0998 21.3215 -7.21485 21.3216 48.8825 -14.8364 -7.2149 -14.8363 -2.47875 GPRESSAVG: 626400 -40.6127 18.1443 -8.98313 21.0611 47.711 -14.8266 -6.01423 -14.0312 -1.60763 TIMING: 626400 CPU: 1979.57, 0.00313223/step Wall: 1979.57, 0.00313223/step, 3.80531 hours remaining, 231.773438 MB of memory in use. ENERGY: 626400 4012.3342 20540.4555 14468.7235 237.3150 -203551.7030 2814.8552 0.0000 0.0000 52331.1232 -109146.8964 300.7477 -161478.0196 -108782.1254 299.4920 135.4041 171.8293 761514.8870 1.7680 1.8302 PRESSURE: 626600 -172.436 -116.182 -205.421 -116.182 326.275 -13.6872 -205.422 -13.687 -49.4926 GPRESSURE: 626600 -71.5649 -52.1103 -245.557 -41.3153 244.226 -24.5758 -186.159 17.1796 0.111712 PRESSAVG: 626600 -61.612 47.7431 1.48069 47.7431 54.7882 -26.8858 1.4807 -26.8857 -10.5275 GPRESSAVG: 626600 -61.8993 48.3715 4.11804 46.1277 55.3111 -26.8093 0.405856 -26.6762 -11.1216 TIMING: 626600 CPU: 1980.21, 0.00316083/step Wall: 1980.21, 0.00316083/step, 3.83988 hours remaining, 231.773438 MB of memory in use. ENERGY: 626600 3989.9850 20523.5767 14488.0922 241.6484 -203458.3581 2844.6011 0.0000 0.0000 52259.9861 -109110.4686 300.3389 -161370.4547 -108739.7468 299.3125 34.7823 57.5909 763683.7558 -5.7838 -5.9033 PRESSURE: 626800 -456.475 115.189 -297.595 115.189 333.622 26.2188 -297.594 26.2184 99.3421 GPRESSURE: 626800 -301.599 31.4204 -265.918 163.542 257.736 21.6114 -225.752 -78.3095 91.1116 PRESSAVG: 626800 -28.4849 48.3556 -61.1803 48.3555 48.3893 -11.002 -61.1802 -11.002 0.457818 GPRESSAVG: 626800 -28.861 50.4464 -63.1208 48.4782 49.0779 -11.3164 -58.6111 -11.2585 -0.169662 TIMING: 626800 CPU: 1980.84, 0.00315082/step Wall: 1980.84, 0.00315082/step, 3.82755 hours remaining, 231.773438 MB of memory in use. ENERGY: 626800 4010.3151 20552.8884 14526.0652 247.4396 -203483.1625 2780.5137 0.0000 0.0000 52004.8986 -109361.0419 298.8729 -161365.9404 -108998.3345 298.8488 -7.8371 15.7495 763723.5263 6.7874 6.6824 PRESSURE: 627000 -190.688 108.247 -133.961 108.247 84.1115 -169.385 -133.96 -169.385 -14.5069 GPRESSURE: 627000 -166.562 -1.4083 -36.9969 136.23 53.9024 -103.842 -80.67 -173.777 99.8895 PRESSAVG: 627000 -59.9993 -12.5348 -36.6297 -12.5347 51.9553 -45.5055 -36.6297 -45.5056 -3.85652 GPRESSAVG: 627000 -59.2302 -13.745 -36.2579 -11.4519 52.162 -44.5808 -37.1016 -44.6849 -4.66039 TIMING: 627000 CPU: 1981.46, 0.00312179/step Wall: 1981.46, 0.00312179/step, 3.7921 hours remaining, 231.773438 MB of memory in use. ENERGY: 627000 4003.3715 20466.7629 14476.0037 259.0539 -203389.3178 2785.0340 0.0000 0.0000 51979.4465 -109419.6454 298.7266 -161399.0919 -109049.1638 298.3559 -40.3610 -4.2567 763266.6865 -3.9668 -3.9095 PRESSURE: 627200 36.1877 177.198 8.02819 177.198 81.4205 -111.022 8.02794 -111.021 16.4586 GPRESSURE: 627200 51.9878 227.416 -21.556 171.517 87.9802 -67.289 46.7862 -108.315 81.6987 PRESSAVG: 627200 -53.2787 18.8838 -11.094 18.8838 36.1505 -63.5078 -11.094 -63.5078 27.3837 GPRESSAVG: 627200 -55.0659 20.0894 -11.0344 18.007 36.3193 -64.5731 -10.0867 -62.8313 28.9638 TIMING: 627200 CPU: 1982.09, 0.00313802/step Wall: 1982.09, 0.00313802/step, 3.81165 hours remaining, 231.773438 MB of memory in use. ENERGY: 627200 3909.3309 20597.1553 14418.3562 244.8607 -203473.6169 2845.3255 0.0000 0.0000 51862.2771 -109596.3111 298.0532 -161458.5882 -109240.6077 298.0601 44.6889 73.8889 762656.5427 3.4185 3.4058 PRESSURE: 627400 -109.297 -187.544 47.9982 -187.543 -87.3577 82.0948 47.9988 82.0947 -114.252 GPRESSURE: 627400 31.0275 -122.484 52.4691 -133.184 -86.977 64.5109 -20.4957 59.9635 -178.35 PRESSAVG: 627400 -10.8971 -2.44553 12.4603 -2.44555 37.713 -6.88688 12.4603 -6.88693 -8.78866 GPRESSAVG: 627400 -9.40565 -3.29916 12.5233 -3.01816 36.7655 -6.81719 12.1064 -6.70783 -9.23224 TIMING: 627400 CPU: 1982.72, 0.00314827/step Wall: 1982.72, 0.00314827/step, 3.82393 hours remaining, 231.773438 MB of memory in use. ENERGY: 627400 3865.5940 20501.0217 14447.0601 238.6311 -203149.0316 2705.6634 0.0000 0.0000 52006.3237 -109384.7375 298.8811 -161391.0612 -109022.2020 298.0754 -103.6355 -78.0997 761349.5269 6.0091 6.0425 PRESSURE: 627600 -101.2 -83.4792 45.2172 -83.4789 -88.7745 -72.8478 45.2177 -72.8489 -29.409 GPRESSURE: 627600 -115.88 -74.6853 114.034 -140.422 36.3254 -150.823 -27.7602 -96.7733 -37.9296 PRESSAVG: 627600 -47.2212 52.8211 -14.1433 52.8211 -6.70345 26.5319 -14.1434 26.5319 19.0364 GPRESSAVG: 627600 -47.4051 53.3694 -14.7642 53.9509 -5.89912 26.0697 -16.5545 27.029 18.034 TIMING: 627600 CPU: 1983.34, 0.00313301/step Wall: 1983.34, 0.00313301/step, 3.80521 hours remaining, 231.773438 MB of memory in use. ENERGY: 627600 4037.2107 20584.3803 14474.6643 239.9111 -203050.9294 2324.6683 0.0000 0.0000 51985.0545 -109405.0402 298.7588 -161390.0947 -109045.7626 298.1125 -73.1278 -39.1615 761009.6797 -11.6294 -11.7567 PRESSURE: 627800 -32.2635 19.92 125.74 19.9202 -36.0841 134.235 125.74 134.235 -93.4858 GPRESSURE: 627800 13.1291 99.2164 50.8376 -6.26479 -20.5079 264.175 6.65571 61.0536 -78.3583 PRESSAVG: 627800 6.08702 28.3418 -35.6086 28.3418 16.8059 -22.5882 -35.6086 -22.5882 8.45109 GPRESSAVG: 627800 4.10458 27.8319 -35.1819 28.8239 17.2111 -21.1703 -36.1884 -24.7664 9.65545 TIMING: 627800 CPU: 1983.97, 0.00312931/step Wall: 1983.97, 0.00312931/step, 3.80055 hours remaining, 231.773438 MB of memory in use. ENERGY: 627800 4063.7938 20453.2385 14459.9921 256.9887 -203247.0750 2851.4833 0.0000 0.0000 51656.2025 -109505.3762 296.8689 -161161.5787 -109164.4758 298.5442 -53.9445 -28.5790 762437.9283 10.4480 10.3237 PRESSURE: 628000 -64.156 82.8145 -178.257 82.815 326.911 40.3503 -178.257 40.3489 -175.715 GPRESSURE: 628000 51.803 17.992 -213.391 76.5538 262.027 86.4361 -235.51 53.7314 -142.741 PRESSAVG: 628000 -44.1976 -14.5235 10.7899 -14.5236 45.0369 -9.59078 10.7899 -9.59069 -36.3036 GPRESSAVG: 628000 -43.429 -13.0756 13.0056 -14.3647 44.5777 -9.59457 11.8237 -8.43185 -36.3799 TIMING: 628000 CPU: 1984.6, 0.00314133/step Wall: 1984.6, 0.00314133/step, 3.81497 hours remaining, 231.773438 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: 628000 3945.4858 20485.0343 14463.1164 243.2705 -203084.3743 2483.7075 0.0000 0.0000 51802.6781 -109661.0817 297.7107 -161463.7598 -109308.8887 298.2526 29.0134 57.0295 761739.1472 -11.8214 -11.7437 PRESSURE: 628200 -280.391 -105.168 7.1659 -105.168 -343.463 13.8561 7.16553 13.8559 -225.974 GPRESSURE: 628200 -263.036 -72.8846 -31.8938 -47.2232 -291.329 -50.0328 2.45481 71.0393 -199.636 PRESSAVG: 628200 9.82778 -11.7998 -27.0845 -11.7998 35.5115 28.5726 -27.0846 28.5726 12.6556 GPRESSAVG: 628200 9.94324 -14.461 -27.5462 -11.3212 35.9606 26.2581 -28.238 28.464 11.772 TIMING: 628200 CPU: 1985.23, 0.00313309/step Wall: 1985.23, 0.00313309/step, 3.80479 hours remaining, 231.773438 MB of memory in use. ENERGY: 628200 3852.8582 20637.5364 14412.2810 280.0104 -203100.8457 2485.3405 0.0000 0.0000 51930.0039 -109502.8153 298.4424 -161432.8192 -109143.8404 298.1794 -283.2760 -251.3338 762849.4307 19.3316 19.2253 LDB: ============= START OF LOAD BALANCING ============== 1997.76 LDB: ============== END OF LOAD BALANCING =============== 1997.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1997.76 LDB: ============= START OF LOAD BALANCING ============== 1998.08 LDB: Largest compute 7058 load 0.029361 is 15.0% of average load 0.195278 LDB: Average compute 0.004380 is 2.2% of average load 0.195278 LDB: TIME 1998.08 LOAD: AVG 0.195278 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.309 MB LDB: TIME 1998.08 LOAD: AVG 0.195278 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.387 MB LDB: TIME 1998.08 LOAD: AVG 0.195278 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.387 MB LDB: ============== END OF LOAD BALANCING =============== 1998.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1998.09 PRESSURE: 628400 100.658 14.6152 249.484 14.6148 291.797 -395.38 249.485 -395.38 -325.243 GPRESSURE: 628400 45.3914 37.2504 183.378 44.6939 292.146 -406.733 303.476 -327.065 -201.47 PRESSAVG: 628400 -31.0878 -1.2873 -2.64332 -1.28731 35.8897 -21.3816 -2.64337 -21.3815 -9.91646 GPRESSAVG: 628400 -30.9643 -0.502332 -1.58374 -2.06411 34.5108 -18.9573 -1.38298 -22.3844 -9.06605 TIMING: 628400 CPU: 1985.87, 0.00322171/step Wall: 1985.87, 0.00322171/step, 3.91223 hours remaining, 232.593750 MB of memory in use. ENERGY: 628400 4027.6692 20523.1164 14536.1123 233.0135 -203747.1755 2867.7693 0.0000 0.0000 52078.2566 -109481.2382 299.2945 -161559.4948 -109122.0830 298.4236 22.4042 45.3558 761657.5990 -1.7049 -1.8398 PRESSURE: 628600 -460.126 -270.485 162.217 -270.485 -65.8164 -361.322 162.217 -361.322 -108.373 GPRESSURE: 628600 -435.674 -217.299 148.836 -177.747 -71.6879 -294.264 146.928 -213.92 -68.6843 PRESSAVG: 628600 8.29944 53.4354 -4.41098 53.4354 -25.0987 -74.3719 -4.41099 -74.3718 -5.93484 GPRESSAVG: 628600 8.97738 54.8089 -4.52575 52.4912 -25.8621 -73.9719 -5.90309 -73.4797 -5.44751 TIMING: 628600 CPU: 1986.5, 0.00314704/step Wall: 1986.5, 0.00314704/step, 3.82138 hours remaining, 232.796875 MB of memory in use. ENERGY: 628600 3990.6624 20630.5511 14481.0256 240.6463 -203217.1560 2534.4215 0.0000 0.0000 51850.9378 -109488.9114 297.9881 -161339.8492 -109125.1463 298.9989 -211.4387 -192.0153 763548.8180 -7.5780 -7.4441 PRESSURE: 628800 -217.809 -131.179 85.7558 -131.178 -338.131 32.4743 85.7553 32.4741 -163.053 GPRESSURE: 628800 -154.264 -157.314 128.768 -34.3479 -336.36 18.5036 82.558 -24.5293 -139.689 PRESSAVG: 628800 -32.2098 18.0861 36.7733 18.0862 8.46006 36.7532 36.7733 36.7531 7.64321 GPRESSAVG: 628800 -32.7886 15.5684 35.1585 18.9732 9.27051 34.5379 39.1225 37.0226 7.14566 TIMING: 628800 CPU: 1987.13, 0.00315894/step Wall: 1987.13, 0.00315894/step, 3.83566 hours remaining, 232.796875 MB of memory in use. ENERGY: 628800 3947.1920 20492.3828 14450.0961 261.0811 -202847.7141 2289.1616 0.0000 0.0000 51872.8963 -109534.9042 298.1142 -161407.8005 -109168.9298 298.5923 -239.6644 -210.1041 762395.7834 -5.3688 -5.4575 PRESSURE: 629000 -448.12 -276.419 -116.351 -276.419 366.484 108.856 -116.351 108.856 -162.007 GPRESSURE: 629000 -276.765 -163.587 -67.8391 -241.477 283.551 130.581 -151.227 19.1788 -147.567 PRESSAVG: 629000 -8.75997 35.3697 -51.9488 35.3697 -28.4799 8.73362 -51.9488 8.73364 27.619 GPRESSAVG: 629000 -9.15591 37.5251 -50.0182 34.5621 -28.9874 9.10203 -54.7262 8.47557 28.1635 TIMING: 629000 CPU: 1987.76, 0.00316/step Wall: 1987.76, 0.00316/step, 3.83676 hours remaining, 232.796875 MB of memory in use. ENERGY: 629000 3953.6279 20416.4160 14549.8277 266.2166 -203191.2471 2787.2017 0.0000 0.0000 51742.0196 -109475.9376 297.3621 -161217.9572 -109127.7743 298.2523 -81.2146 -46.9269 761085.4711 -3.2070 -3.3266 PRESSURE: 629200 -105.733 275.154 59.3993 275.154 271.83 -43.2088 59.4001 -43.2084 88.1131 GPRESSURE: 629200 -73.4751 88.0284 6.13878 157.755 286.078 3.40693 -34.079 4.12596 118.446 PRESSAVG: 629200 -20.3818 11.6662 -18.8864 11.6662 38.8672 -9.26863 -18.8864 -9.26858 2.74076 GPRESSAVG: 629200 -20.5316 11.4218 -20.7804 10.0163 40.403 -9.01214 -17.5648 -9.96095 1.26479 TIMING: 629200 CPU: 1988.39, 0.00315038/step Wall: 1988.39, 0.00315038/step, 3.82491 hours remaining, 232.796875 MB of memory in use. ENERGY: 629200 4063.4854 20529.5541 14460.3614 256.8330 -203476.2843 2972.2764 0.0000 0.0000 51894.3224 -109299.4515 298.2374 -161193.7739 -108952.3519 298.5263 84.7368 110.3498 763993.5735 7.0754 7.0454 PRESSURE: 629400 -281.86 -56.0961 67.6121 -56.0954 -580.612 48.5114 67.6116 48.5097 -70.7268 GPRESSURE: 629400 -256.02 0.558214 26.8457 -53.4303 -547.193 30.1484 18.0749 119.951 -58.1039 PRESSAVG: 629400 -0.027469 -42.3076 -21.4704 -42.3075 -4.21315 36.1655 -21.4703 36.1655 -10.3762 GPRESSAVG: 629400 0.942016 -42.67 -21.4642 -41.0512 -5.0511 37.3791 -22.0396 35.6537 -10.537 TIMING: 629400 CPU: 1989.02, 0.00315356/step Wall: 1989.02, 0.00315356/step, 3.82859 hours remaining, 232.796875 MB of memory in use. ENERGY: 629400 4011.5457 20536.7535 14477.2501 246.4069 -203043.2472 2784.3713 0.0000 0.0000 51822.2156 -109164.7040 297.8230 -160986.9196 -108802.2823 298.1899 -311.0662 -287.1056 764105.4182 -4.8723 -4.8820 PRESSURE: 629600 -193.088 -91.1749 -59.5304 -91.1757 -477.397 103.353 -59.5312 103.352 -642.286 GPRESSURE: 629600 -279.5 -149.866 -103.524 90.8339 -404.857 59.5652 -56.9449 61.5073 -555.636 PRESSAVG: 629600 -5.12695 -1.8078 33.2163 -1.80781 -2.58265 10.2294 33.2163 10.2295 8.19778 GPRESSAVG: 629600 -5.74343 -2.28711 35.6999 -0.164801 -2.00108 8.76685 32.8029 10.735 8.21312 TIMING: 629600 CPU: 1989.65, 0.00315556/step Wall: 1989.65, 0.00315556/step, 3.83085 hours remaining, 232.796875 MB of memory in use. ENERGY: 629600 3957.2133 20716.6772 14482.7618 235.2599 -202569.8526 2141.7142 0.0000 0.0000 51923.8053 -109112.4210 298.4068 -161036.2263 -108754.6551 298.9140 -437.5903 -413.3309 762833.7189 0.1627 0.1562 PRESSURE: 629800 163.316 25.5698 -49.9469 25.57 371.852 -167.535 -49.9467 -167.535 -215.356 GPRESSURE: 629800 157.995 -33.3123 34.271 -49.0571 315.848 -127.41 34.8858 -224.873 -66.855 PRESSAVG: 629800 -36.3001 5.6346 -22.1084 5.63462 -5.77506 6.21869 -22.1085 6.21861 -8.24068 GPRESSAVG: 629800 -36.109 5.96195 -23.1102 4.30879 -6.19143 6.37819 -18.4264 5.92703 -7.68174 TIMING: 629800 CPU: 1990.28, 0.00313909/step Wall: 1990.28, 0.00313909/step, 3.81068 hours remaining, 232.796875 MB of memory in use. ENERGY: 629800 3974.2530 20621.4256 14396.6792 237.9498 -203087.8930 2614.7190 0.0000 0.0000 52093.1289 -109149.7374 299.3799 -161242.8664 -108792.5075 299.1134 106.6039 135.6628 762119.1160 -16.7720 -16.6607 PRESSURE: 630000 -151.615 173.41 -63.5558 173.41 -262.825 195.148 -63.5561 195.148 99.3833 GPRESSURE: 630000 -188.078 128.212 -140.584 240.757 -192.262 197.86 17.2486 239.032 162.085 PRESSAVG: 630000 40.3677 8.69048 31.2601 8.69048 -21.7053 33.072 31.26 33.072 2.78096 GPRESSAVG: 630000 41.1735 9.54845 31.45 10.3846 -21.7502 33.7314 30.8667 34.1161 1.80807 TIMING: 630000 CPU: 1990.91, 0.00315809/step Wall: 1990.91, 0.00315809/step, 3.83358 hours remaining, 232.796875 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: 630000 3977.1650 20619.8177 14495.5047 255.1154 -203165.0616 2699.5140 0.0000 0.0000 51845.5094 -109272.4355 297.9569 -161117.9449 -108911.2317 299.0210 -105.0191 -72.7516 761030.9785 7.1478 7.0771 PRESSURE: 630200 -74.4079 -214.614 -33.837 -214.615 45.7527 -278.896 -33.8366 -278.896 -80.7185 GPRESSURE: 630200 89.1289 -275.724 -18.2857 -199.66 56.0898 -312.419 -85.9837 -263.899 -128.463 PRESSAVG: 630200 14.4339 35.869 75.116 35.8691 -23.9222 -13.9542 75.116 -13.9544 -0.477185 GPRESSAVG: 630200 13.6541 34.0563 74.7447 34.3862 -23.6618 -14.3496 73.2224 -13.3098 0.111116 TIMING: 630200 CPU: 1991.55, 0.00316337/step Wall: 1991.55, 0.00316337/step, 3.8398 hours remaining, 232.796875 MB of memory in use. ENERGY: 630200 4054.5972 20459.7839 14496.2706 229.4021 -203184.2814 2622.0486 0.0000 0.0000 51996.7926 -109325.3863 298.8263 -161322.1790 -108956.0802 298.9754 -36.4579 5.5851 761839.6564 -3.3218 -3.2989 PRESSURE: 630400 -138.77 -40.3294 -50.4721 -40.3293 -250.409 -41.683 -50.4721 -41.6832 -223.324 GPRESSURE: 630400 -100.567 -7.1444 -66.3475 -30.121 -251.24 -16.5947 120.193 -44.6591 -192.049 PRESSAVG: 630400 24.8187 -0.844237 27.6952 -0.844199 -5.94729 -12.9434 27.6952 -12.9433 11.9464 GPRESSAVG: 630400 25.1118 0.680555 27.9121 -1.19933 -6.12985 -14.0572 30.0687 -14.003 11.344 TIMING: 630400 CPU: 1992.18, 0.0031788/step Wall: 1992.18, 0.0031788/step, 3.85835 hours remaining, 232.796875 MB of memory in use. ENERGY: 630400 4033.9654 20620.5181 14539.4286 239.2737 -203278.6653 2776.1639 0.0000 0.0000 51894.3176 -109174.9980 298.2374 -161069.3156 -108815.8309 298.6134 -204.1678 -181.2851 762327.1065 10.2726 10.1087 PRESSURE: 630600 -118.577 50.6809 -47.4705 50.68 -88.2887 92.0939 -47.4719 92.094 126.364 GPRESSURE: 630600 -95.1269 144.869 -57.9824 64.657 -85.2119 -2.71531 -181.901 211.552 180.714 PRESSAVG: 630600 76.1314 67.9893 2.17466 67.9893 -26.9972 -6.25566 2.1746 -6.25569 20.9904 GPRESSAVG: 630600 76.0389 68.4273 0.668401 68.2573 -26.8938 -4.86814 1.38644 -6.14468 21.35 TIMING: 630600 CPU: 1992.82, 0.00317654/step Wall: 1992.82, 0.00317654/step, 3.85544 hours remaining, 232.796875 MB of memory in use. ENERGY: 630600 3944.8133 20713.7027 14478.5150 271.4989 -203178.2957 2644.6231 0.0000 0.0000 52111.6448 -109013.4980 299.4863 -161125.1428 -108655.4601 300.0769 -26.8340 0.1249 761293.6102 23.3749 23.4984 PRESSURE: 630800 -16.4222 11.0088 77.5823 11.0084 297.435 -111.151 77.5823 -111.151 181.768 GPRESSURE: 630800 30.2489 -41.6639 36.2382 90.3307 364.473 -112.648 94.4029 -69.8906 147.141 PRESSAVG: 630800 -30.4101 28.2516 -7.82812 28.2515 42.8853 36.5165 -7.82816 36.5166 14.4287 GPRESSAVG: 630800 -31.021 25.4423 -7.01474 30.086 42.9263 35.5146 -9.84624 37.8573 15.2034 TIMING: 630800 CPU: 1993.45, 0.00314346/step Wall: 1993.45, 0.00314346/step, 3.81511 hours remaining, 232.796875 MB of memory in use. ENERGY: 630800 3989.1588 20703.6050 14457.1507 272.9405 -203301.3870 2892.5347 0.0000 0.0000 51997.8744 -108988.1229 298.8325 -160985.9972 -108628.0470 299.6293 154.2600 180.6209 760774.7594 8.9680 9.0362 PRESSURE: 631000 -47.9841 -181.32 -0.290668 -181.319 -114.184 287.678 -0.290471 287.678 -397.748 GPRESSURE: 631000 -124.383 -85.9909 113.339 -259.779 0.926536 282.793 -33.326 299.773 -361.777 PRESSAVG: 631000 -8.60661 -5.07663 -12.081 -5.0767 22.7798 21.9611 -12.0811 21.9611 11.6815 GPRESSAVG: 631000 -7.71827 -3.07101 -9.96069 -7.18197 23.6046 23.4706 -11.5023 20.5618 9.9774 TIMING: 631000 CPU: 1994.07, 0.00313998/step Wall: 1994.07, 0.00313998/step, 3.81072 hours remaining, 232.796875 MB of memory in use. ENERGY: 631000 3985.6832 20710.7131 14446.1322 264.4097 -203142.9237 2455.6879 0.0000 0.0000 52220.4109 -109059.8868 300.1114 -161280.2977 -108704.9212 300.2227 -186.6387 -161.7445 761897.5472 8.6182 8.6212 PRESSURE: 631200 -320.733 -13.3858 -107.019 -13.3854 288.626 -2.35314 -107.019 -2.35423 -258.33 GPRESSURE: 631200 -228.177 -21.1245 -119.454 5.83924 254.261 -41.2015 134.111 -99.5475 -231.16 PRESSAVG: 631200 36.1312 31.2537 -12.5978 31.2538 -1.42495 41.0604 -12.5977 41.0604 3.7234 GPRESSAVG: 631200 36.3965 30.691 -11.4557 31.8438 -2.82289 40.132 -12.0183 40.2911 4.6747 TIMING: 631200 CPU: 1994.7, 0.00312366/step Wall: 1994.7, 0.00312366/step, 3.79073 hours remaining, 232.796875 MB of memory in use. ENERGY: 631200 3921.1001 20604.4384 14506.9688 255.7637 -202969.7387 2421.4895 0.0000 0.0000 51963.0495 -109296.9285 298.6324 -161259.9780 -108935.6336 299.4501 -96.8121 -68.3584 762617.5752 12.8099 12.7494 PRESSURE: 631400 65.138 152.226 2.91073 152.226 271.89 -76.3288 2.91062 -76.3298 77.9895 GPRESSURE: 631400 -16.0198 204.636 14.1438 155.619 379.509 -18.8624 -2.73358 -78.6133 116.421 PRESSAVG: 631400 -25.2812 86.3477 0.807256 86.3478 23.8793 29.935 0.807235 29.9349 -15.376 GPRESSAVG: 631400 -27.0357 84.9584 -1.78733 87.3995 24.7074 31.1563 1.69426 29.9641 -14.767 TIMING: 631400 CPU: 1995.33, 0.0031381/step Wall: 1995.33, 0.0031381/step, 3.80808 hours remaining, 232.796875 MB of memory in use. ENERGY: 631400 3985.1176 20582.1351 14553.6623 244.2531 -203829.6065 3094.2713 0.0000 0.0000 52022.5669 -109347.6004 298.9744 -161370.1673 -108987.9631 298.6424 138.3390 159.9701 761255.6613 -5.5926 -5.6984 PRESSURE: 631600 -219.985 116.863 121.69 116.864 48.4962 143.269 121.69 143.269 102.058 GPRESSURE: 631600 -176.807 95.0345 86.9346 65.8982 70.9374 175.272 70.2804 122.838 135.359 PRESSAVG: 631600 -4.78606 3.31072 -10.8621 3.31071 23.0136 -24.5204 -10.8622 -24.5204 -5.60263 GPRESSAVG: 631600 -2.59214 4.63216 -10.7401 2.69837 22.5224 -24.5267 -11.4195 -22.833 -6.10106 TIMING: 631600 CPU: 1995.96, 0.00316985/step Wall: 1995.96, 0.00316985/step, 3.84644 hours remaining, 232.796875 MB of memory in use. ENERGY: 631600 3977.5478 20600.8880 14421.0031 225.7333 -203596.9883 3027.4879 0.0000 0.0000 51996.2666 -109348.0617 298.8233 -161344.3283 -108986.0266 299.5045 -23.1434 9.8296 763874.8285 4.2083 4.6097 PRESSURE: 631800 -225.294 10.4387 -194.869 10.4395 -12.086 -126.157 -194.868 -126.157 -167.343 GPRESSURE: 631800 -180.515 97.2934 -162.817 131.44 96.3912 -117.931 -75.8508 -126.197 -242.954 PRESSAVG: 631800 -19.6886 -3.11654 -20.6991 -3.11653 -10.9167 24.5879 -20.6992 24.5879 -15.2247 GPRESSAVG: 631800 -19.9785 -2.70505 -20.0298 -2.2984 -10.2752 23.0585 -19.9014 22.6162 -14.7062 TIMING: 631800 CPU: 1996.59, 0.00316028/step Wall: 1996.59, 0.00316028/step, 3.83464 hours remaining, 232.796875 MB of memory in use. ENERGY: 631800 3976.3746 20584.7740 14506.8410 241.1284 -203603.7442 2854.1833 0.0000 0.0000 52114.4694 -109325.9734 299.5026 -161440.4429 -108970.1510 299.0139 -134.9075 -109.0261 763296.2960 -15.2767 -14.9866 PRESSURE: 632000 -272.192 -139.989 -93.7511 -139.989 2.77624 186.62 -93.7516 186.62 -101.263 GPRESSURE: 632000 -246.848 -226.124 -77.2175 -94.6452 18.4012 156.023 -66.8238 142.443 -80.5641 PRESSAVG: 632000 35.6963 9.66618 -5.21289 9.66614 0.638358 35.1701 -5.21289 35.17 -16.5856 GPRESSAVG: 632000 35.4924 8.09782 -6.46387 8.62357 0.746861 34.1063 -4.3835 36.8699 -17.0132 TIMING: 632000 CPU: 1997.22, 0.00315668/step Wall: 1997.22, 0.00315668/step, 3.83011 hours remaining, 232.796875 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: 632000 4018.6193 20545.0259 14545.5512 231.9689 -203170.3528 2703.5593 0.0000 0.0000 51689.4044 -109436.2238 297.0597 -161125.6281 -109074.5294 298.7624 -123.5597 -103.0038 764024.1062 6.5830 6.4087 PRESSURE: 632200 -165.123 140.293 203.594 140.292 -317.455 -121.555 203.595 -121.556 -364.454 GPRESSURE: 632200 -150.063 138.648 89.0279 149.078 -216.281 -51.3611 135.644 -104.713 -393.408 PRESSAVG: 632200 23.0875 -11.134 -2.87187 -11.1339 -10.2187 -20.6579 -2.87191 -20.6578 -1.45128 GPRESSAVG: 632200 24.4058 -10.1312 -0.165466 -10.8191 -10.559 -19.2745 -4.67445 -21.6333 -1.89108 TIMING: 632200 CPU: 1997.85, 0.00315038/step Wall: 1997.85, 0.00315038/step, 3.82229 hours remaining, 232.796875 MB of memory in use. ENERGY: 632200 3997.2187 20574.4726 14462.4820 243.1288 -203155.9162 2486.8932 0.0000 0.0000 52352.4770 -109039.2439 300.8704 -161391.7209 -108656.8016 299.1266 -282.3441 -253.2509 763428.0581 3.8058 3.9853 LDB: ============= START OF LOAD BALANCING ============== 2010.39 LDB: ============== END OF LOAD BALANCING =============== 2010.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2010.39 LDB: ============= START OF LOAD BALANCING ============== 2010.71 LDB: Largest compute 7026 load 0.031850 is 16.3% of average load 0.195185 LDB: Average compute 0.004395 is 2.3% of average load 0.195185 LDB: TIME 2010.71 LOAD: AVG 0.195185 MAX 0.21217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.621 MB LDB: TIME 2010.71 LOAD: AVG 0.195185 MAX 0.21217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: TIME 2010.71 LOAD: AVG 0.195185 MAX 0.21217 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.824 MB LDB: ============== END OF LOAD BALANCING =============== 2010.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2010.72 PRESSURE: 632400 -178.91 127.959 -221.459 127.957 102.793 -135.195 -221.458 -135.196 -95.8118 GPRESSURE: 632400 -136.564 104.121 -247.798 64.1067 143.225 -203.061 -139.842 -74.4683 -106.497 PRESSAVG: 632400 -74.9621 55.4337 12.0936 55.4337 37.4765 -57.6066 12.0936 -57.6066 -2.768 GPRESSAVG: 632400 -76.0116 55.2558 10.7174 52.9745 37.0634 -57.0788 15.3613 -57.2352 -1.41592 TIMING: 632400 CPU: 1998.5, 0.00323977/step Wall: 1998.5, 0.00323977/step, 3.93056 hours remaining, 234.328125 MB of memory in use. ENERGY: 632400 3989.0631 20631.3655 14543.8742 262.7080 -203130.1422 2531.1451 0.0000 0.0000 52061.4628 -109110.5235 299.1979 -161171.9863 -108744.9677 299.7808 -57.3097 -33.2788 762685.8333 -13.4179 -13.4547 PRESSURE: 632600 168.554 -152.561 -68.5686 -152.562 124.01 155.159 -68.5693 155.159 242.734 GPRESSURE: 632600 191.581 -171.983 -64.5549 -141.716 164.083 212.471 41.8235 118.419 260.303 PRESSAVG: 632600 28.3993 46.483 -23.8602 46.4831 6.9123 -1.34687 -23.8602 -1.34681 -6.82895 GPRESSAVG: 632600 28.2371 45.8025 -23.6057 48.6755 8.18982 -3.17033 -26.861 -0.345116 -7.86271 TIMING: 632600 CPU: 1999.14, 0.00317402/step Wall: 1999.14, 0.00317402/step, 3.85061 hours remaining, 234.531250 MB of memory in use. ENERGY: 632600 3932.2620 20592.4026 14490.5966 262.7572 -203683.5350 3001.5361 0.0000 0.0000 52375.4180 -109028.5626 301.0022 -161403.9806 -108671.4662 300.1022 178.4327 205.3225 761347.0552 9.4942 9.5214 PRESSURE: 632800 234.123 5.24347 -118.699 5.24389 -20.5504 98.9618 -118.698 98.9615 -67.1394 GPRESSURE: 632800 289.514 169.802 -107.932 68.8171 62.2124 -4.31629 66.459 161.401 -94.9451 PRESSAVG: 632800 9.55404 57.0368 -34.8278 57.0368 11.9145 -27.9274 -34.8277 -27.9273 4.60517 GPRESSAVG: 632800 9.7428 59.9929 -34.6674 57.3903 12.1494 -25.9449 -33.2966 -29.1318 4.06667 TIMING: 632800 CPU: 1999.77, 0.00314657/step Wall: 1999.77, 0.00314657/step, 3.81713 hours remaining, 234.625000 MB of memory in use. ENERGY: 632800 3954.0529 20613.9901 14498.4165 231.8884 -203282.6741 2710.1527 0.0000 0.0000 52205.2506 -109068.9229 300.0243 -161274.1735 -108707.8281 299.7173 48.8109 85.5939 763134.7885 8.6912 8.6530 PRESSURE: 633000 168.903 79.961 36.316 79.9621 326.694 396.25 36.3165 396.25 -42.3598 GPRESSURE: 633000 124.173 95.8593 78.0572 76.7971 372.41 378.42 -67.0741 370.449 48.7054 PRESSAVG: 633000 -23.5949 96.8036 -47.5511 96.8036 -21.8747 12.4309 -47.5511 12.4309 -4.89938 GPRESSAVG: 633000 -25.1439 95.0872 -47.1391 94.8068 -21.8157 13.4481 -47.5136 12.2651 -3.32377 TIMING: 633000 CPU: 2000.39, 0.00314187/step Wall: 2000.39, 0.00314187/step, 3.81127 hours remaining, 234.636719 MB of memory in use. ENERGY: 633000 3937.3852 20797.7736 14475.1007 245.1649 -203583.2360 2917.1506 0.0000 0.0000 52269.3629 -108941.2982 300.3927 -161210.6611 -108573.8677 300.2323 151.0788 181.7626 761945.9873 -16.7897 -16.7611 PRESSURE: 633200 -227.024 -68.0326 -69.7364 -68.033 -310.716 29.1453 -69.7375 29.1452 -82.5922 GPRESSURE: 633200 -191.359 -41.3048 -121.104 -96.784 -240.415 122.71 -7.63121 -112.837 -114.505 PRESSAVG: 633200 -41.9404 25.8502 57.4833 25.8502 53.6196 51.5989 57.4832 51.5989 -21.6695 GPRESSAVG: 633200 -41.8253 26.3073 56.8897 26.5492 53.7069 49.8423 56.5504 51.8911 -22.2103 TIMING: 633200 CPU: 2001.03, 0.00316094/step Wall: 2001.03, 0.00316094/step, 3.83423 hours remaining, 234.636719 MB of memory in use. ENERGY: 633200 4014.0842 20596.6945 14607.7212 250.3733 -203289.7257 2557.7287 0.0000 0.0000 52281.6183 -108981.5055 300.4632 -161263.1238 -108603.9174 299.7364 -206.7774 -182.0928 761584.1413 -3.3301 -3.4429 PRESSURE: 633400 146.441 5.79072 41.8453 5.79077 259.391 64.0278 41.8451 64.0288 125.638 GPRESSURE: 633400 145.49 -24.754 67.1945 101.105 256.812 -88.5077 -3.56342 61.8436 214.573 PRESSAVG: 633400 -4.81359 31.7148 24.1238 31.7148 -2.96964 0.0503428 24.1239 0.0503201 8.9513 GPRESSAVG: 633400 -4.21336 32.0398 21.9399 32.1776 -3.72236 -0.480565 23.6348 0.899231 9.27675 TIMING: 633400 CPU: 2001.67, 0.0032051/step Wall: 2001.67, 0.0032051/step, 3.8876 hours remaining, 234.636719 MB of memory in use. ENERGY: 633400 3922.6500 20576.5351 14497.6615 230.7402 -203047.2121 2642.7368 0.0000 0.0000 52080.4151 -109096.4733 299.3069 -161176.8884 -108728.5675 299.5673 177.1566 205.6252 761675.6047 0.3894 0.4470 PRESSURE: 633600 77.5903 12.796 62.8456 12.7952 -60.141 66.3621 62.8451 66.3608 -31.9205 GPRESSURE: 633600 42.6982 53.0584 41.3979 32.8822 73.9126 110.443 69.7395 110.254 -39.1573 PRESSAVG: 633600 33.4465 35.9696 44.0388 35.9696 -14.5396 16.7749 44.0388 16.775 -2.96147 GPRESSAVG: 633600 32.8805 35.8776 45.7419 34.6566 -13.3744 15.4764 43.5967 18.0754 -3.06172 TIMING: 633600 CPU: 2002.31, 0.00319352/step Wall: 2002.31, 0.00319352/step, 3.87338 hours remaining, 234.636719 MB of memory in use. ENERGY: 633600 3912.4667 20830.0092 14517.5620 256.7393 -203124.9155 2491.4357 0.0000 0.0000 51729.4015 -109387.3011 297.2896 -161116.7026 -109033.5803 299.4293 -4.8237 25.8179 761690.9169 5.3151 5.4815 PRESSURE: 633800 -90.3188 78.3116 -38.653 78.3113 -480.751 47.7524 -38.6528 47.7532 -744.92 GPRESSURE: 633800 -140.403 87.5868 -132.517 43.4784 -364.628 39.1291 50.5191 108.993 -750.124 PRESSAVG: 633800 19.7934 -15.9322 -10.5652 -15.9323 -23.4986 48.6063 -10.5652 48.6064 14.6193 GPRESSAVG: 633800 19.6457 -15.7226 -10.7937 -16.4032 -22.6456 50.7456 -8.63668 47.7424 13.726 TIMING: 633800 CPU: 2002.94, 0.00316866/step Wall: 2002.94, 0.00316866/step, 3.84306 hours remaining, 234.839844 MB of memory in use. ENERGY: 633800 3962.0515 20329.6295 14536.5529 232.6423 -202735.2586 2232.4247 0.0000 0.0000 51954.0538 -109487.9038 298.5807 -161441.9576 -109115.8350 298.6203 -438.6633 -418.3850 763411.5667 3.6380 3.5754 PRESSURE: 634000 -123.255 3.9696 -69.8423 3.96976 85.3857 200.192 -69.8421 200.192 -14.3944 GPRESSURE: 634000 -53.0505 -75.7294 -41.8994 6.16866 21.1883 210.645 -14.7696 184.575 33.4677 PRESSAVG: 634000 -12.4019 5.70735 -6.70464 5.70733 -7.04042 1.85974 -6.70464 1.85959 -0.114162 GPRESSAVG: 634000 -11.6343 5.75135 -5.8946 6.78642 -8.39872 1.59807 -8.28545 -0.446043 0.51893 TIMING: 634000 CPU: 2003.57, 0.00316431/step Wall: 2003.57, 0.00316431/step, 3.83761 hours remaining, 234.839844 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: 634000 3969.8828 20594.9140 14450.2469 237.8927 -203205.0484 2451.4038 0.0000 0.0000 51999.5239 -109501.1845 298.8420 -161500.7083 -109147.1332 298.3638 -17.4214 0.5352 763082.0751 -6.5188 -6.5047 PRESSURE: 634200 -266.511 -181.208 -15.9051 -181.207 -176.15 77.0261 -15.9052 77.0268 -337.662 GPRESSURE: 634200 -255.182 -196.93 -3.93514 -129.098 -89.8518 74.7127 -27.231 -4.97525 -352.38 PRESSAVG: 634200 6.86143 -37.9127 -0.400704 -37.9127 10.5826 -15.0049 -0.400732 -15.0049 -17.3054 GPRESSAVG: 634200 6.64337 -36.4546 0.0199204 -38.601 10.7225 -12.8853 0.722057 -14.5884 -16.5073 TIMING: 634200 CPU: 2004.2, 0.00315274/step Wall: 2004.2, 0.00315274/step, 3.8234 hours remaining, 234.839844 MB of memory in use. ENERGY: 634200 4078.0656 20500.1435 14420.7896 257.2137 -203678.5857 2846.4665 0.0000 0.0000 52191.0922 -109384.8147 299.9429 -161575.9068 -109027.6346 298.6681 -260.1075 -232.4713 761381.2994 0.0462 0.2862 PRESSURE: 634400 113.441 97.0704 -27.1281 97.0698 -35.9629 71.6108 -27.1273 71.6103 -337.506 GPRESSURE: 634400 133.438 -37.9637 7.32434 123.497 -8.075 106.482 -157.962 70.9125 -297.033 PRESSAVG: 634400 -46.6212 -5.79577 36.381 -5.79576 11.2042 0.583079 36.3811 0.583028 -1.6337 GPRESSAVG: 634400 -45.6442 -6.05115 36.7991 -5.55033 11.3746 -1.43117 33.6931 2.03131 -2.57672 TIMING: 634400 CPU: 2004.84, 0.00316806/step Wall: 2004.84, 0.00316806/step, 3.8418 hours remaining, 234.839844 MB of memory in use. ENERGY: 634400 3959.7316 20543.4196 14392.0766 226.1555 -203312.6070 2749.2024 0.0000 0.0000 51976.4528 -109465.5685 298.7094 -161442.0213 -109102.8559 298.8881 -86.6762 -57.2235 763758.7832 -12.3502 -12.2821 PRESSURE: 634600 103.659 51.1851 264.804 51.1841 -69.0612 -67.3417 264.804 -67.3421 -115.103 GPRESSURE: 634600 105.404 38.4466 253.025 -82.0569 48.3878 -17.4405 275.823 -79.5598 -149.814 PRESSAVG: 634600 21.9473 -23.4224 71.3481 -23.4224 -49.7499 0.574877 71.3481 0.574885 -14.2124 GPRESSAVG: 634600 20.8916 -24.3979 71.1587 -22.9246 -49.2566 0.93019 73.5212 -0.464367 -14.0652 TIMING: 634600 CPU: 2005.47, 0.0031385/step Wall: 2005.47, 0.0031385/step, 3.80577 hours remaining, 234.839844 MB of memory in use. ENERGY: 634600 3978.5612 20510.4240 14380.6715 261.1120 -203427.6892 2921.0626 0.0000 0.0000 51967.7259 -109408.1318 298.6592 -161375.8578 -109039.2923 298.9898 -26.8351 1.3259 763219.7145 -14.0050 -14.1434 PRESSURE: 634800 -162.153 117.531 -35.6786 117.531 58.8071 -246.961 -35.6793 -246.962 -85.0224 GPRESSURE: 634800 -106.263 -6.91657 39.7239 50.0828 36.507 -185.959 -119.799 -159.438 -38.6639 PRESSAVG: 634800 -13.3966 31.3608 -3.52814 31.3608 17.4377 -9.15209 -3.52815 -9.15199 4.14555 GPRESSAVG: 634800 -13.5463 30.3627 -4.59646 32.6803 18.1853 -8.90963 -4.84263 -6.61148 3.29304 TIMING: 634800 CPU: 2006.09, 0.0031374/step Wall: 2006.09, 0.0031374/step, 3.80428 hours remaining, 234.839844 MB of memory in use. ENERGY: 634800 4035.7789 20627.9799 14461.2249 239.7300 -203248.2219 2830.0591 0.0000 0.0000 51754.6641 -109298.7851 297.4348 -161053.4492 -108946.7347 298.7877 -62.7893 -36.1399 764477.8679 2.7289 2.6440 PRESSURE: 635000 -373.743 -150.627 -187.658 -150.628 -740.911 25.4431 -187.657 25.4426 -199.356 GPRESSURE: 635000 -381.548 -90.7817 -146.167 -230.286 -673.894 96.5759 -132.75 -80.5661 -191.221 PRESSAVG: 635000 6.49751 63.7053 9.14106 63.7053 20.4903 67.5964 9.14106 67.5964 -29.622 GPRESSAVG: 635000 6.9331 65.493 9.63572 62.8426 18.9751 67.1902 10.5228 65.5554 -28.5863 TIMING: 635000 CPU: 2006.72, 0.00315741/step Wall: 2006.72, 0.00315741/step, 3.82836 hours remaining, 234.839844 MB of memory in use. ENERGY: 635000 3996.7918 20536.1919 14488.6187 239.0130 -203343.3563 2562.5612 0.0000 0.0000 52140.7454 -109379.4345 299.6536 -161520.1799 -109015.2202 298.9709 -438.0035 -415.5541 762617.1272 -0.8781 -0.8927 PRESSURE: 635200 -113.331 120.468 63.8817 120.467 164.604 -167.486 63.8819 -167.486 11.5589 GPRESSURE: 635200 -49.3891 146.538 89.2496 89.9692 160.346 -177.867 112.941 -78.8083 28.3061 PRESSAVG: 635200 -28.0618 -27.7386 14.7574 -27.7386 23.4603 34.561 14.7574 34.5609 -6.01839 GPRESSAVG: 635200 -28.2511 -28.7159 16.087 -28.8857 22.6046 34.0982 14.7392 34.3125 -5.34817 TIMING: 635200 CPU: 2007.35, 0.00314092/step Wall: 2007.35, 0.00314092/step, 3.80819 hours remaining, 234.839844 MB of memory in use. ENERGY: 635200 3927.5214 20663.8569 14457.3220 240.7491 -203297.5474 2561.9858 0.0000 0.0000 52086.4859 -109359.6263 299.3418 -161446.1122 -108996.8511 298.8499 20.9442 46.4209 760720.0316 -3.5400 -3.6649 PRESSURE: 635400 -193.709 -32.9189 21.0314 -32.9188 -230.23 -90.9907 21.0319 -90.9915 -50.7298 GPRESSURE: 635400 -124.817 -2.52787 44.7587 -115.547 -231.58 -143.585 20.1257 -82.311 -36.1462 PRESSAVG: 635400 14.9559 32.1304 -4.33982 32.1305 -13.4892 5.1152 -4.33981 5.11511 -2.80474 GPRESSAVG: 635400 14.7861 32.2597 -5.80956 32.0025 -13.1342 4.73582 -7.20471 4.73981 -3.64144 TIMING: 635400 CPU: 2007.99, 0.00317178/step Wall: 2007.99, 0.00317178/step, 3.84544 hours remaining, 234.839844 MB of memory in use. ENERGY: 635400 3993.0865 20367.4722 14510.2479 257.5512 -203732.6100 2665.1306 0.0000 0.0000 52230.7039 -109708.4178 300.1706 -161939.1217 -109345.0963 298.5176 -158.2228 -130.8475 761706.8089 -0.4460 -0.6632 PRESSURE: 635600 -113.472 67.4694 -73.0534 67.4698 -232.763 134.32 -73.0542 134.319 -3.65339 GPRESSURE: 635600 -94.384 166.2 -74.9908 44.1003 -195.254 132.462 -75.885 173.425 46.1543 PRESSAVG: 635600 12.5534 15.0935 -4.968 15.0935 -26.3478 78.6841 -4.96796 78.684 -2.74172 GPRESSAVG: 635600 12.1839 14.5151 -5.50238 15.8737 -25.5873 79.5116 -2.84725 80.8719 -2.47456 TIMING: 635600 CPU: 2008.62, 0.00316911/step Wall: 2008.62, 0.00316911/step, 3.84202 hours remaining, 234.839844 MB of memory in use. ENERGY: 635600 3981.7151 20485.0833 14487.7284 245.2944 -203753.6216 2775.7082 0.0000 0.0000 52021.7184 -109756.3737 298.9695 -161778.0922 -109399.4916 298.4682 -116.6297 -81.1613 761232.0132 -5.5121 -5.2927 PRESSURE: 635800 -294.554 -19.168 3.49645 -19.168 289.064 129.549 3.49627 129.549 17.6439 GPRESSURE: 635800 -114.933 8.94191 -54.1065 -86.5838 203.985 120.128 -15.1435 94.3221 20.5118 PRESSAVG: 635800 58.6273 37.1397 23.14 37.1396 -66.398 6.31094 23.14 6.31096 7.18847 GPRESSAVG: 635800 58.6397 38.6551 22.3266 36.2223 -66.4243 6.33909 21.6984 4.28507 7.69112 TIMING: 635800 CPU: 2009.25, 0.00314282/step Wall: 2009.25, 0.00314282/step, 3.80998 hours remaining, 234.839844 MB of memory in use. ENERGY: 635800 3993.8301 20649.5980 14479.1043 238.1016 -203842.7624 2820.8217 0.0000 0.0000 52063.7480 -109597.5586 299.2111 -161661.3066 -109241.9535 298.8136 4.0511 36.5213 761149.2892 -0.1941 -0.0312 PRESSURE: 636000 65.4004 -116.328 93.4659 -116.328 -164.439 -205.382 93.4651 -205.382 -41.5126 GPRESSURE: 636000 42.9086 -159.843 127.274 -45.5659 -146.085 -195.396 186.739 -148.806 42.9805 PRESSAVG: 636000 2.0882 -3.4155 38.6181 -3.41548 2.37411 -31.8174 38.6182 -31.8173 -3.83421 GPRESSAVG: 636000 2.97829 -4.66242 38.8282 -2.02036 2.56937 -30.6504 40.6072 -31.9279 -4.98611 TIMING: 636000 CPU: 2009.88, 0.00314913/step Wall: 2009.88, 0.00314913/step, 3.81744 hours remaining, 234.839844 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: 636000 3962.2759 20592.6119 14470.5362 234.9075 -203643.6635 2730.4998 0.0000 0.0000 52061.1173 -109591.7150 299.1960 -161652.8323 -109234.2744 298.8558 -46.8503 -20.0653 759203.1282 0.2094 0.1872 PRESSURE: 636200 -132.707 42.4778 -67.2084 42.4783 -158.119 269.514 -67.2083 269.514 -215.111 GPRESSURE: 636200 -159.603 -56.4573 -42.2601 -51.9563 -74.2932 243.442 40.9613 194.509 -187.598 PRESSAVG: 636200 -31.1438 -10.4499 -32.059 -10.4499 68.1934 8.95422 -32.059 8.95424 -5.47197 GPRESSAVG: 636200 -30.7935 -10.5551 -30.4373 -13.1243 68.0786 10.0285 -29.5894 7.99808 -5.59859 TIMING: 636200 CPU: 2010.51, 0.00315393/step Wall: 2010.51, 0.00315393/step, 3.82309 hours remaining, 234.839844 MB of memory in use. ENERGY: 636200 3950.8292 20529.8789 14436.7548 232.8919 -203071.2624 2566.5792 0.0000 0.0000 51829.7553 -109524.5731 297.8663 -161354.3284 -109154.7078 298.9279 -168.6458 -140.4981 763497.9506 10.5259 10.5622 LDB: ============= START OF LOAD BALANCING ============== 2023.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2023.04 LDB: =============== DONE WITH MIGRATION ================ 2023.05 LDB: ============= START OF LOAD BALANCING ============== 2023.36 LDB: Largest compute 7058 load 0.031373 is 16.1% of average load 0.195168 LDB: Average compute 0.004388 is 2.2% of average load 0.195168 LDB: TIME 2023.37 LOAD: AVG 0.195168 MAX 0.212434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.836 MB LDB: TIME 2023.37 LOAD: AVG 0.195168 MAX 0.212434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.836 MB LDB: TIME 2023.37 LOAD: AVG 0.195168 MAX 0.212434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.836 MB LDB: ============== END OF LOAD BALANCING =============== 2023.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2023.37 PRESSURE: 636400 -108.073 -170.899 -48.9426 -170.899 94.3077 -8.68952 -48.9418 -8.6899 -416.759 GPRESSURE: 636400 -63.5203 -205.067 -145.148 -60.7268 91.5708 -98.9675 -129.338 -53.051 -378.685 PRESSAVG: 636400 -9.71582 -20.1007 18.01 -20.1007 10.9371 30.0602 18.01 30.0602 24.3302 GPRESSAVG: 636400 -10.2958 -19.8429 18.9313 -17.2338 10.659 28.7836 14.7052 29.6631 24.484 TIMING: 636400 CPU: 2011.16, 0.00324141/step Wall: 2011.16, 0.00324141/step, 3.92894 hours remaining, 234.406250 MB of memory in use. ENERGY: 636400 4023.1893 20578.4595 14511.7641 249.3747 -203819.9681 2912.6314 0.0000 0.0000 51778.6842 -109765.8649 297.5728 -161544.5491 -109407.7977 298.3259 -143.5081 -116.8782 760516.6628 8.5172 8.2824 PRESSURE: 636600 257.219 -247.965 -49.8055 -247.965 360.705 -48.9028 -49.806 -48.9027 302.066 GPRESSURE: 636600 362.656 -389.276 -109.549 -151.02 311.482 6.71925 112.785 -82.7398 310.253 PRESSAVG: 636600 -12.7309 -8.95635 -19.6905 -8.95639 21.7506 39.7331 -19.6905 39.733 13.1369 GPRESSAVG: 636600 -11.727 -10.3214 -21.3739 -11.1499 20.0839 39.8131 -19.3107 41.7647 13.7146 TIMING: 636600 CPU: 2011.79, 0.00316631/step Wall: 2011.79, 0.00316631/step, 3.83774 hours remaining, 234.406250 MB of memory in use. ENERGY: 636600 3967.6239 20602.1659 14395.4120 235.3247 -204079.5346 3115.6590 0.0000 0.0000 51917.5670 -109845.7822 298.3710 -161763.3491 -109495.3277 298.5813 306.6633 328.1300 760691.1038 7.3855 7.3572 PRESSURE: 636800 314.813 -59.7057 -19.9609 -59.7061 486.091 -107.045 -19.9611 -107.044 266.687 GPRESSURE: 636800 412.67 74.3711 -38.342 -35.7311 432.124 -70.4924 20.4005 -149.897 295.121 PRESSAVG: 636800 -7.56265 18.6914 61.2896 18.6915 12.4526 11.5561 61.2896 11.5561 26.0087 GPRESSAVG: 636800 -8.89418 19.134 62.0959 20.7334 13.616 12.6572 62.1364 10.1682 26.109 TIMING: 636800 CPU: 2012.42, 0.00314746/step Wall: 2012.42, 0.00314746/step, 3.81472 hours remaining, 234.406250 MB of memory in use. ENERGY: 636800 3868.0869 20649.3994 14496.0773 242.0732 -204105.0782 3170.4755 0.0000 0.0000 52042.6565 -109636.3095 299.0899 -161678.9659 -109284.8018 298.6343 355.8633 379.9714 761502.0812 10.2996 10.2770 PRESSURE: 637000 -179.782 -10.5519 -128.65 -10.5517 -138.76 -178.105 -128.651 -178.106 63.0169 GPRESSURE: 637000 -189.935 -44.6154 -129.074 41.4805 -62.7538 -196.126 -146.51 -41.631 81.3568 PRESSAVG: 637000 -47.3375 -2.18549 28.974 -2.1855 44.9255 -1.23419 28.9739 -1.23414 -13.8643 GPRESSAVG: 637000 -47.8836 -0.182002 28.3677 -2.74378 45.3044 -3.1997 29.8082 -0.273004 -13.9094 TIMING: 637000 CPU: 2013.05, 0.0031465/step Wall: 2013.05, 0.0031465/step, 3.81339 hours remaining, 234.406250 MB of memory in use. ENERGY: 637000 3979.1832 20593.9314 14449.8961 229.8873 -203432.9232 2668.5962 0.0000 0.0000 51934.1556 -109577.2734 298.4663 -161511.4290 -109217.5194 298.6194 -85.1752 -57.1106 763805.8021 -5.4254 -5.4962 PRESSURE: 637200 202.566 142.328 -17.1093 142.329 260.653 131.486 -17.1098 131.486 -36.9507 GPRESSURE: 637200 259.362 235.113 28.5484 36.2715 246.872 -4.03905 -36.1038 236.102 12.9998 PRESSAVG: 637200 -44.7611 20.7623 32.0805 20.7623 20.8469 9.23092 32.0804 9.23094 -1.67785 GPRESSAVG: 637200 -45.2315 20.3116 32.6773 19.5307 21.3116 9.49413 28.0296 7.75751 -1.55568 TIMING: 637200 CPU: 2013.68, 0.00316612/step Wall: 2013.68, 0.00316612/step, 3.83699 hours remaining, 234.406250 MB of memory in use. ENERGY: 637200 3999.9943 20456.3230 14525.6585 226.1953 -204311.5632 3248.6836 0.0000 0.0000 52286.4958 -109568.2126 300.4912 -161854.7084 -109201.3753 298.8538 142.0893 173.0780 761286.2813 -8.5307 -8.4919 PRESSURE: 637400 -529.098 178.746 152.924 178.745 222.905 90.6221 152.924 90.6215 -22.8799 GPRESSURE: 637400 -331.221 174.056 85.4465 153.974 185.533 130.351 196.319 79.7094 -115.353 PRESSAVG: 637400 -97.6348 -41.9535 17.6268 -41.9536 48.9406 -31.8359 17.6268 -31.8358 -10.5952 GPRESSAVG: 637400 -96.3814 -42.7722 18.2715 -39.6801 47.492 -31.1702 21.7638 -29.6678 -10.8127 TIMING: 637400 CPU: 2014.32, 0.00318452/step Wall: 2014.32, 0.00318452/step, 3.85911 hours remaining, 234.406250 MB of memory in use. ENERGY: 637400 3957.2794 20570.0321 14481.2614 253.4281 -203391.5541 2518.4449 0.0000 0.0000 52138.8520 -109472.2563 299.6427 -161611.1083 -109114.1644 299.2487 -109.6910 -87.0135 762956.0171 -19.7631 -19.9007 PRESSURE: 637600 -39.0771 89.9749 176.301 89.9747 -234.54 -60.2412 176.302 -60.2402 31.3176 GPRESSURE: 637600 -23.6556 -1.63219 179.19 -19.9557 -208.996 -77.2252 92.8488 -75.8074 51.6831 PRESSAVG: 637600 -47.7618 7.52718 25.4835 7.52722 60.9091 -22.2594 25.4835 -22.2593 2.53348 GPRESSAVG: 637600 -47.1538 6.39796 26.4217 7.30329 62.1004 -23.4616 24.7138 -22.0196 0.923733 TIMING: 637600 CPU: 2014.95, 0.00317065/step Wall: 2014.95, 0.00317065/step, 3.84212 hours remaining, 234.406250 MB of memory in use. ENERGY: 637600 3971.9486 20398.4210 14483.4890 238.9282 -203296.5469 2722.0741 0.0000 0.0000 52178.5176 -109303.1684 299.8707 -161481.6860 -108945.8673 299.4877 -80.7664 -60.3229 761118.5534 5.2269 5.2901 PRESSURE: 637800 -14.7733 90.5526 -104.481 90.553 235.781 286.465 -104.481 286.466 182.071 GPRESSURE: 637800 95.4939 89.918 -53.2034 13.5636 172.28 334.395 -152.668 350.268 222.617 PRESSAVG: 637800 -40.6587 -9.14301 105.433 -9.143 39.6517 2.46203 105.433 2.46198 -23.1651 GPRESSAVG: 637800 -41.8705 -9.23893 104.27 -8.20576 38.3281 4.82168 103.78 -0.133298 -20.641 TIMING: 637800 CPU: 2015.58, 0.00314909/step Wall: 2015.58, 0.00314909/step, 3.81583 hours remaining, 234.406250 MB of memory in use. ENERGY: 637800 4010.6621 20301.1970 14390.4841 256.2378 -203446.8456 2969.5308 0.0000 0.0000 52166.3757 -109352.3581 299.8009 -161518.7338 -108987.0027 299.4338 134.3594 163.4639 761046.6422 -8.0574 -8.0611 PRESSURE: 638000 -131.673 10.1705 220.191 10.1702 -203.326 -81.9268 220.191 -81.9264 72.7054 GPRESSURE: 638000 -71.5727 -36.5564 158.548 88.046 -137.785 -141.524 97.6585 42.1967 41.1174 PRESSAVG: 638000 -34.2874 35.0815 74.2562 35.0815 49.2976 -5.1955 74.2562 -5.19543 7.84152 GPRESSAVG: 638000 -35.3656 38.7874 73.121 32.7735 50.5759 -8.00174 78.6737 -3.84627 7.1922 TIMING: 638000 CPU: 2016.22, 0.00315889/step Wall: 2016.22, 0.00315889/step, 3.82752 hours remaining, 234.406250 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: 638000 3949.2484 20608.7995 14426.0157 258.1240 -203258.4065 2585.0054 0.0000 0.0000 51991.2807 -109439.9328 298.7946 -161431.2135 -109070.9638 299.2000 -87.4313 -56.0801 760689.9006 7.6172 7.4675 PRESSURE: 638200 22.8002 237.062 189.749 237.061 -250.648 109.333 189.749 109.332 72.3127 GPRESSURE: 638200 -10.3439 173.374 192.069 135.128 -160.865 52.584 222.456 94.0817 90.6362 PRESSAVG: 638200 -68.3877 21.8609 -7.07687 21.8609 51.1144 -30.2351 -7.07689 -30.235 26.513 GPRESSAVG: 638200 -66.7985 20.344 -7.29486 24.223 50.0713 -28.1693 -9.9561 -32.2153 26.1492 TIMING: 638200 CPU: 2016.84, 0.00314559/step Wall: 2016.84, 0.00314559/step, 3.81123 hours remaining, 234.406250 MB of memory in use. ENERGY: 638200 4016.8269 20383.7997 14482.6035 245.7406 -203337.7606 2676.9976 0.0000 0.0000 52145.8665 -109385.9258 299.6830 -161531.7923 -109028.0117 299.2575 -51.8449 -26.8576 762086.5237 3.0799 3.1407 PRESSURE: 638400 -11.8524 -98.4362 56.8543 -98.4363 22.2241 14.0373 56.854 14.0365 433.55 GPRESSURE: 638400 37.3685 -11.5733 44.3884 -173.7 44.7769 127.311 67.5569 69.7606 434.212 PRESSAVG: 638400 -47.0764 83.6893 12.8515 83.6893 15.5217 39.9038 12.8515 39.9037 -12.8778 GPRESSAVG: 638400 -46.4846 84.224 13.9755 81.2996 15.3581 39.5127 15.0938 40.6723 -13.6389 TIMING: 638400 CPU: 2017.47, 0.00313876/step Wall: 2017.47, 0.00313876/step, 3.80278 hours remaining, 234.406250 MB of memory in use. ENERGY: 638400 3942.5555 20725.0298 14381.5074 243.5589 -203315.6750 2721.6581 0.0000 0.0000 51897.8844 -109403.4808 298.2579 -161301.3653 -109055.6706 298.9698 147.9738 172.1193 762877.8886 -14.8108 -14.9218 PRESSURE: 638600 250.502 114.093 95.8186 114.092 132.813 -167.617 95.819 -167.616 112.817 GPRESSURE: 638600 321.894 135.132 104.959 69.1578 192.557 -105.701 83.2657 -304.8 83.6604 PRESSAVG: 638600 -31.2013 10.0426 26.7649 10.0426 41.2262 -46.1222 26.7649 -46.1222 29.33 GPRESSAVG: 638600 -30.8279 9.91778 26.4241 12.2413 41.3822 -47.0129 24.2556 -46.9547 29.0766 TIMING: 638600 CPU: 2018.1, 0.00315322/step Wall: 2018.1, 0.00315322/step, 3.82013 hours remaining, 234.406250 MB of memory in use. ENERGY: 638600 3947.3523 20518.3087 14404.7576 234.6721 -203580.1095 2949.1358 0.0000 0.0000 52097.9753 -109427.9077 299.4078 -161525.8830 -109064.4622 299.4873 165.3773 199.3704 761719.1862 13.1183 13.2103 PRESSURE: 638800 85.8828 9.03853 76.8361 9.03793 -93.0416 105.975 76.8368 105.974 -550.927 GPRESSURE: 638800 114.942 52.6494 61.7038 19.667 -113.446 76.3433 39.2261 -56.3224 -467.034 PRESSAVG: 638800 -39.5606 -39.7853 34.8976 -39.7852 24.9584 -58.2013 34.8976 -58.2013 16.9089 GPRESSAVG: 638800 -41.4226 -42.338 33.6495 -39.0241 26.2685 -58.7063 33.9484 -56.2503 17.6286 TIMING: 638800 CPU: 2018.73, 0.00314204/step Wall: 2018.73, 0.00314204/step, 3.80641 hours remaining, 234.406250 MB of memory in use. ENERGY: 638800 3989.6075 20566.9569 14519.3404 258.9701 -203271.1591 2577.0748 0.0000 0.0000 51952.7207 -109406.4886 298.5730 -161359.2093 -109046.5529 299.0995 -186.0287 -155.1793 762158.1910 0.7689 0.8248 PRESSURE: 639000 11.6801 -89.899 -140.203 -89.8992 -603.124 69.5626 -140.203 69.5634 39.6617 GPRESSURE: 639000 66.9083 -81.8065 -206.153 66.5085 -587.903 36.4226 21.5023 51.5307 40.9246 PRESSAVG: 639000 -12.0059 -20.1288 -14.7408 -20.1288 46.4323 -48.2681 -14.7407 -48.2681 -2.59515 GPRESSAVG: 639000 -10.5702 -18.4486 -14.2306 -20.4536 45.6278 -48.1455 -14.9905 -48.8424 -2.82916 TIMING: 639000 CPU: 2019.36, 0.00315119/step Wall: 2019.36, 0.00315119/step, 3.81732 hours remaining, 234.406250 MB of memory in use. ENERGY: 639000 3893.9911 20586.3341 14391.6545 237.0089 -202958.1713 2469.4384 0.0000 0.0000 52099.7393 -109280.0051 299.4179 -161379.7444 -108906.1238 299.1659 -183.9273 -160.0234 762534.4294 10.6104 10.7428 PRESSURE: 639200 273.469 -192.571 -11.2441 -192.571 147.727 -68.9225 -11.2444 -68.924 70.3879 GPRESSURE: 639200 263.955 -208.662 41.4494 -202.407 124.449 -39.0596 110.539 -71.4168 200.073 PRESSAVG: 639200 -40.7265 27.0555 11.1956 27.0554 91.8911 -8.06637 11.1955 -8.06636 7.84676 GPRESSAVG: 639200 -42.1598 26.4189 11.7724 26.4815 91.8942 -8.26165 13.517 -7.4649 9.14016 TIMING: 639200 CPU: 2019.99, 0.00313263/step Wall: 2019.99, 0.00313263/step, 3.79466 hours remaining, 234.406250 MB of memory in use. ENERGY: 639200 3822.5315 20656.1789 14447.8101 243.2511 -203228.8519 2651.1671 0.0000 0.0000 52077.6079 -109330.3054 299.2907 -161407.9132 -108971.9484 299.4835 163.8612 196.1593 761330.3525 19.6705 19.6248 PRESSURE: 639400 -196.141 115.375 -25.2775 115.375 196.49 109.887 -25.2777 109.888 143.7 GPRESSURE: 639400 -205.709 16.7323 -11.3075 127.426 324.204 22.2107 -130.973 137.033 115.708 PRESSAVG: 639400 -5.40761 -13.8158 37.2903 -13.8159 -16.4734 -6.58997 37.2904 -6.59003 22.2552 GPRESSAVG: 639400 -4.97566 -12.186 36.7116 -13.6676 -15.4702 -6.63032 36.5 -6.75403 20.7645 TIMING: 639400 CPU: 2020.61, 0.00312981/step Wall: 2020.61, 0.00312981/step, 3.79107 hours remaining, 234.406250 MB of memory in use. ENERGY: 639400 3985.0886 20485.4327 14570.3466 250.2721 -203676.9634 2870.3487 0.0000 0.0000 52053.9015 -109461.5732 299.1545 -161515.4747 -109092.4427 299.6526 48.0162 78.0675 761348.7026 0.1247 0.1062 PRESSURE: 639600 -25.0965 -105.514 -137.548 -105.514 -131.415 -34.6344 -137.548 -34.6347 78.5965 GPRESSURE: 639600 34.3377 -63.8707 -146.009 -69.0959 -46.1118 -37.791 -153.716 -116.265 12.9361 PRESSAVG: 639600 -41.0526 -14.3785 -3.50827 -14.3785 41.0186 -44.7276 -3.50821 -44.7276 -5.67252 GPRESSAVG: 639600 -41.4449 -15.8477 -3.42249 -14.7029 40.7994 -43.6222 -3.47999 -44.4999 -4.92639 TIMING: 639600 CPU: 2021.24, 0.00312893/step Wall: 2021.24, 0.00312893/step, 3.78983 hours remaining, 234.406250 MB of memory in use. ENERGY: 639600 3960.1210 20626.4104 14517.7084 235.9321 -203403.4130 2633.9945 0.0000 0.0000 52087.7886 -109341.4579 299.3492 -161429.2465 -108980.5612 299.1629 -25.9718 0.3873 759772.6576 -1.9022 -1.8573 PRESSURE: 639800 -53.7522 176.253 9.20869 176.254 37.5153 5.30807 9.20914 5.30699 219.461 GPRESSURE: 639800 -14.4271 286.175 1.00535 208.864 34.3638 -20.8447 -0.824937 115.464 236.629 PRESSAVG: 639800 -18.9939 39.143 -22.944 39.143 63.5705 -25.9165 -22.944 -25.9165 13.0267 GPRESSAVG: 639800 -18.4903 38.971 -24.0966 39.1631 63.5722 -26.2182 -21.5681 -25.9068 12.4045 TIMING: 639800 CPU: 2021.86, 0.00312119/step Wall: 2021.86, 0.00312119/step, 3.78028 hours remaining, 234.406250 MB of memory in use. ENERGY: 639800 3973.1326 20620.2875 14512.8138 237.8946 -203202.6906 2318.9115 0.0000 0.0000 51998.5719 -109541.0788 298.8365 -161539.6506 -109177.7516 299.4217 67.7414 85.5218 761725.5507 19.2011 19.1622 PRESSURE: 640000 -240.771 -49.006 -35.3644 -49.006 -345.957 229.12 -35.3644 229.12 -369.184 GPRESSURE: 640000 -192.396 -64.059 -45.6523 -40.929 -418.586 181.676 -71.164 92.0249 -277.894 PRESSAVG: 640000 -23.0618 12.2704 -11.051 12.2705 1.31835 11.6513 -11.0511 11.6514 -13.3736 GPRESSAVG: 640000 -23.3841 10.8242 -9.81819 13.7454 0.525852 12.0895 -10.6543 10.8474 -12.7139 TIMING: 640000 CPU: 2022.49, 0.00313068/step Wall: 2022.49, 0.00313068/step, 3.7916 hours remaining, 234.406250 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: 640000 3961.9164 20846.3510 14486.9444 245.1213 -203283.4838 2305.8863 0.0000 0.0000 52188.8252 -109248.4392 299.9299 -161437.2644 -108900.2512 299.9736 -318.6376 -296.2923 762225.8525 -11.7057 -11.8574 PRESSURE: 640200 -147.838 280.124 -9.29197 280.124 366.023 59.6533 -9.29168 59.653 -37.6446 GPRESSURE: 640200 -185.683 255.267 -22.4199 195.151 495.589 37.4852 -17.7207 103.572 -40.6088 PRESSAVG: 640200 -18.4159 19.6221 32.6311 19.6221 46.4256 -72.4417 32.631 -72.4418 19.754 GPRESSAVG: 640200 -18.4628 20.7478 32.5007 18.1822 46.2603 -73.7681 32.079 -71.9864 19.9147 TIMING: 640200 CPU: 2023.12, 0.00315137/step Wall: 2023.12, 0.00315137/step, 3.81648 hours remaining, 234.406250 MB of memory in use. ENERGY: 640200 4066.5757 20628.7254 14498.2600 229.4668 -203657.4793 2893.3460 0.0000 0.0000 52169.2178 -109171.8877 299.8172 -161341.1055 -108806.8090 299.3406 60.1800 89.7659 761139.4878 15.9213 15.9041 LDB: ============= START OF LOAD BALANCING ============== 2035.65 LDB: ============== END OF LOAD BALANCING =============== 2035.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2035.65 LDB: ============= START OF LOAD BALANCING ============== 2035.97 LDB: Largest compute 7058 load 0.030995 is 15.9% of average load 0.195269 LDB: Average compute 0.004375 is 2.2% of average load 0.195269 LDB: TIME 2035.97 LOAD: AVG 0.195269 MAX 0.217657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.254 MB LDB: TIME 2035.97 LOAD: AVG 0.195269 MAX 0.217657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: TIME 2035.97 LOAD: AVG 0.195269 MAX 0.217657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.328 MB LDB: ============== END OF LOAD BALANCING =============== 2035.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2035.98 PRESSURE: 640400 -51.9854 -16.1163 125.851 -16.1167 281.818 -154.24 125.851 -154.241 401.446 GPRESSURE: 640400 31.9297 82.9377 86.4968 32.0823 321.083 -103.191 97.7513 -175.883 364.904 PRESSAVG: 640400 -73.2421 43.4725 36.7819 43.4724 77.6348 -18.7288 36.782 -18.7288 -11.5176 GPRESSAVG: 640400 -72.4675 44.5634 37.4968 42.086 77.3016 -17.3459 35.7844 -17.4999 -11.8281 TIMING: 640400 CPU: 2023.76, 0.0032108/step Wall: 2023.76, 0.0032108/step, 3.88828 hours remaining, 233.636719 MB of memory in use. ENERGY: 640400 3944.5875 20399.2855 14468.0201 231.7664 -203404.6933 2751.4307 0.0000 0.0000 52520.3212 -109089.2819 301.8350 -161609.6031 -108708.8873 299.3551 210.4263 239.3056 761915.4491 -2.3750 -2.3313 PRESSURE: 640600 -1.92561 -136.483 9.10477 -136.483 -42.1782 41.0857 9.10502 41.0864 -181.642 GPRESSURE: 640600 1.60577 -155.101 17.9136 -172.914 41.9567 19.9431 71.2489 -48.537 -154.719 PRESSAVG: 640600 -6.72901 13.8333 13.5966 13.8333 40.8653 -28.9766 13.5966 -28.9766 9.95539 GPRESSAVG: 640600 -6.72716 14.5507 12.4823 13.7762 40.5143 -29.4352 16.4583 -31.0512 9.95856 TIMING: 640600 CPU: 2024.39, 0.00315663/step Wall: 2024.39, 0.00315663/step, 3.8225 hours remaining, 233.636719 MB of memory in use. ENERGY: 640600 4122.8022 20557.8642 14425.1211 254.8440 -202722.4626 2326.7557 0.0000 0.0000 51921.0254 -109114.0500 298.3908 -161035.0754 -108747.7814 299.8828 -75.2488 -37.0522 762647.7953 14.6972 14.5819 PRESSURE: 640800 46.3985 -96.0937 52.4373 -96.0938 177.81 31.3884 52.4369 31.3881 -46.1121 GPRESSURE: 640800 84.2335 -125.514 24.8977 -110.724 74.3148 -81.7983 -1.87411 14.8756 110.415 PRESSAVG: 640800 -51.1872 28.7716 54.5096 28.7716 82.0383 47.4721 54.5096 47.4721 -9.4904 GPRESSAVG: 640800 -51.5895 28.1829 56.0073 29.7115 82.2935 46.9934 52.1662 47.5194 -9.22564 TIMING: 640800 CPU: 2025.03, 0.00316698/step Wall: 2025.03, 0.00316697/step, 3.83485 hours remaining, 233.636719 MB of memory in use. ENERGY: 640800 3995.6476 20451.0570 14487.7793 239.8943 -203450.1339 2793.2916 0.0000 0.0000 52208.9261 -109273.5380 300.0454 -161482.4640 -108908.9014 299.6811 59.3655 89.6544 762869.5558 7.1202 7.1595 PRESSURE: 641000 -318.475 -53.0196 35.1834 -53.0205 -114.799 -182.201 35.1832 -182.201 -135.247 GPRESSURE: 641000 -356.42 -109.314 1.01266 15.7355 -7.6632 -76.664 -28.2327 -214.16 -121.47 PRESSAVG: 641000 10.4225 4.57719 -44.2052 4.57722 -21.4428 35.1584 -44.2052 35.1585 -13.9491 GPRESSAVG: 641000 9.06819 2.69865 -43.9026 4.92227 -20.4403 35.9838 -44.5173 35.7867 -13.4549 TIMING: 641000 CPU: 2025.66, 0.0031462/step Wall: 2025.66, 0.0031462/step, 3.80953 hours remaining, 233.636719 MB of memory in use. ENERGY: 641000 3983.6504 20430.9481 14410.9770 232.3699 -203326.5039 2661.2273 0.0000 0.0000 52188.0527 -109419.2784 299.9255 -161607.3311 -109063.2375 299.1614 -189.5070 -161.8510 761375.3915 -8.3232 -8.2757 PRESSURE: 641200 -36.8665 72.5534 37.9707 72.5536 35.2174 -80.2269 37.9709 -80.2265 261.603 GPRESSURE: 641200 -43.401 14.9689 133.94 4.29565 78.6739 -74.4491 10.8578 -95.4027 276.44 PRESSAVG: 641200 -7.1089 51.9471 -30.1311 51.9471 6.87046 -15.4145 -30.131 -15.4145 -2.25374 GPRESSAVG: 641200 -5.64285 50.9078 -29.7446 51.9384 5.80794 -17.0366 -31.1826 -14.2803 -2.84305 TIMING: 641200 CPU: 2026.29, 0.0031403/step Wall: 2026.29, 0.0031403/step, 3.80221 hours remaining, 233.839844 MB of memory in use. ENERGY: 641200 3999.3992 20471.7908 14450.4821 260.9927 -203365.0846 2638.8535 0.0000 0.0000 51888.9113 -109654.6550 298.2063 -161543.5663 -109295.2993 299.0426 86.6512 103.9042 760610.7880 -0.8307 -0.8927 PRESSURE: 641400 12.2885 53.2513 -203.958 53.2511 66.3913 -134.617 -203.958 -134.618 -22.2154 GPRESSURE: 641400 47.6294 109.724 -175.762 122.159 105.298 -146.765 -126.864 -104.998 -10.0389 PRESSAVG: 641400 -11.465 10.7563 -71.5604 10.7564 46.8738 -39.7763 -71.5604 -39.7763 23.6691 GPRESSAVG: 641400 -12.4313 14.8214 -73.3352 9.18074 46.5446 -40.1703 -68.2302 -38.8958 24.6445 TIMING: 641400 CPU: 2026.91, 0.0031421/step Wall: 2026.91, 0.0031421/step, 3.80421 hours remaining, 233.839844 MB of memory in use. ENERGY: 641400 3915.7542 20347.1961 14443.3484 239.9012 -203277.9806 2467.8328 0.0000 0.0000 52055.0763 -109808.8715 299.1612 -161863.9479 -109431.0595 298.6149 18.8215 47.6294 759421.8235 19.6927 19.5860 PRESSURE: 641600 179.109 8.79086 -40.5196 8.79098 231.872 -86.291 -40.5206 -86.2914 106.218 GPRESSURE: 641600 242.681 60.8965 78.8064 -33.1282 230.144 -22.9363 38.7331 -66.528 142.306 PRESSAVG: 641600 -25.3683 8.60294 -15.9846 8.60291 41.7963 3.38508 -15.9847 3.3851 -5.22891 GPRESSAVG: 641600 -24.6355 6.60296 -15.9984 9.09747 41.7721 3.96663 -16.9699 1.89754 -6.01846 TIMING: 641600 CPU: 2027.54, 0.00315093/step Wall: 2027.54, 0.00315093/step, 3.81472 hours remaining, 233.839844 MB of memory in use. ENERGY: 641600 3958.3417 20366.5180 14486.7622 235.0902 -203700.8046 2689.2860 0.0000 0.0000 51958.7778 -110006.0287 298.6078 -161964.8065 -109638.8847 297.6682 172.3995 205.0434 760682.7030 3.7330 3.7061 PRESSURE: 641800 -388.39 225.166 28.2737 225.166 80.825 -18.8745 28.2746 -18.8742 163.452 GPRESSURE: 641800 -259.296 149.586 -67.4693 129.855 119.896 -102.85 108.448 -12.9033 58.5326 PRESSAVG: 641800 -21.228 -26.3901 3.16868 -26.3901 34.3486 -0.37733 3.16863 -0.377345 1.63716 GPRESSAVG: 641800 -20.4401 -25.2999 2.7499 -28.5972 34.5184 -1.43183 2.13662 -0.049816 1.18414 TIMING: 641800 CPU: 2028.18, 0.00316486/step Wall: 2028.18, 0.00316486/step, 3.83142 hours remaining, 233.839844 MB of memory in use. ENERGY: 641800 3885.0560 20331.1307 14545.7668 227.0363 -203227.9290 2475.9080 0.0000 0.0000 51768.4358 -109994.5953 297.5139 -161763.0311 -109632.0971 297.9609 -48.0378 -26.9558 761387.3349 4.9193 5.0875 PRESSURE: 642000 42.11 56.9325 241.613 56.9334 153.58 236.939 241.614 236.941 -98.4132 GPRESSURE: 642000 121.602 20.0148 267.003 59.8153 159.346 172.047 197.635 214.13 -88.4972 PRESSAVG: 642000 -16.621 30.8937 -93.0768 30.8937 29.634 7.28826 -93.0768 7.28825 -19.6312 GPRESSAVG: 642000 -17.9148 30.0931 -93.1186 33.1588 30.3237 8.47988 -91.8933 7.18173 -20.0265 TIMING: 642000 CPU: 2028.8, 0.00313307/step Wall: 2028.8, 0.00313307/step, 3.79275 hours remaining, 233.839844 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: 642000 3916.8500 20561.6016 14365.8347 235.6097 -203548.0961 2795.2132 0.0000 0.0000 51890.0814 -109782.9055 298.2130 -161672.9870 -109425.6299 298.4301 32.4258 64.1503 763064.8754 -2.2061 -2.5392 PRESSURE: 642200 4.19779 29.043 22.7169 29.0421 381.058 112.697 22.7174 112.698 175.329 GPRESSURE: 642200 -22.8744 -79.9085 -15.679 92.2146 453.061 65.3794 48.7834 115.221 186.041 PRESSAVG: 642200 0.189318 60.6472 -9.94705 60.6471 -7.03856 -0.0496499 -9.94705 -0.049613 5.51056 GPRESSAVG: 642200 -0.368279 58.4227 -11.0433 60.3222 -7.2092 0.168439 -8.98966 0.666898 5.92334 TIMING: 642200 CPU: 2029.43, 0.00315262/step Wall: 2029.43, 0.00315262/step, 3.81625 hours remaining, 233.839844 MB of memory in use. ENERGY: 642200 3929.0555 20618.1576 14482.0636 238.0972 -203424.9997 2658.5553 0.0000 0.0000 51766.6135 -109732.4570 297.5034 -161499.0705 -109367.9569 298.7080 186.8616 205.4092 762020.0468 -0.4462 -0.5514 PRESSURE: 642400 -127.794 -201.932 -76.8882 -201.932 -311.905 427.586 -76.8872 427.585 -346.687 GPRESSURE: 642400 -139.592 -78.5898 -86.8936 -107.482 -285.443 294.461 -178.974 319.475 -253.927 PRESSAVG: 642400 35.3315 37.299 -1.08414 37.299 11.6013 12.441 -1.08409 12.441 3.95107 GPRESSAVG: 642400 34.8331 38.5572 -0.27229 37.223 12.7266 12.6459 -1.1129 12.1814 3.76258 TIMING: 642400 CPU: 2030.06, 0.003143/step Wall: 2030.06, 0.003143/step, 3.80443 hours remaining, 233.839844 MB of memory in use. ENERGY: 642400 3952.3907 20459.3530 14480.2388 238.2501 -203108.6395 2552.7925 0.0000 0.0000 51779.5912 -109646.0232 297.5780 -161425.6144 -109290.3085 298.5490 -262.1287 -226.3204 762740.4761 16.9613 17.1074 PRESSURE: 642600 -565.104 -28.0123 15.7167 -28.0125 -54.9976 10.5103 15.7176 10.5102 -293.344 GPRESSURE: 642600 -444.567 37.0223 -5.57795 -102.13 -82.5338 14.8945 133.053 75.185 -313.097 PRESSAVG: 642600 22.9796 69.3414 3.63337 69.3413 -34.1476 -28.9077 3.63339 -28.9077 20.3163 GPRESSAVG: 642600 23.6135 69.4895 4.98979 69.674 -35.8727 -28.5667 2.34565 -29.6819 21.2678 TIMING: 642600 CPU: 2030.69, 0.0031598/step Wall: 2030.69, 0.0031598/step, 3.82459 hours remaining, 233.839844 MB of memory in use. ENERGY: 642600 4005.6835 20520.6482 14493.4260 244.6277 -203252.2810 2597.7385 0.0000 0.0000 51786.5721 -109603.5852 297.6181 -161390.1572 -109240.1695 298.4756 -304.4816 -280.0660 763343.6856 3.0494 3.0028 PRESSURE: 642800 114.203 -159.028 -235.439 -159.029 10.8289 -68.2636 -235.439 -68.2627 165.78 GPRESSURE: 642800 233.921 -107.414 -201.248 -137.516 36.1481 43.42 -293.746 -85.9518 88.5288 PRESSAVG: 642800 22.9412 12.259 14.0112 12.259 -23.1872 -20.9428 14.0112 -20.9428 -1.37519 GPRESSAVG: 642800 23.6085 12.4713 12.6789 11.9427 -23.5446 -20.8339 15.0675 -20.2151 -1.66375 TIMING: 642800 CPU: 2031.32, 0.00312497/step Wall: 2031.32, 0.00312497/step, 3.78226 hours remaining, 233.839844 MB of memory in use. ENERGY: 642800 3901.3959 20571.3064 14556.9743 258.1466 -203017.2151 2542.2879 0.0000 0.0000 51742.8683 -109444.2356 297.3670 -161187.1040 -109083.2899 298.7641 96.9371 119.5326 763687.7399 -0.5404 -0.5333 PRESSURE: 643000 -168.778 163.949 -59.4408 163.95 -92.5853 -14.9621 -59.4413 -14.9613 -92.095 GPRESSURE: 643000 -129.032 213.494 -75.0743 223.474 -37.4102 -129.219 30.9975 -9.30289 -81.7784 PRESSAVG: 643000 2.94726 67.3508 -14.9008 67.3508 -40.3362 16.4049 -14.9008 16.405 8.08827 GPRESSAVG: 643000 2.91487 67.0836 -14.0685 67.6392 -40.5714 15.9946 -16.9208 16.9274 8.24718 TIMING: 643000 CPU: 2031.95, 0.00313448/step Wall: 2031.95, 0.00313448/step, 3.79359 hours remaining, 233.839844 MB of memory in use. ENERGY: 643000 4032.1218 20421.3894 14487.8765 247.3442 -203624.7480 2799.3632 0.0000 0.0000 52398.2225 -109238.4303 301.1333 -161636.6529 -108858.9312 298.7990 -117.8195 -82.7401 762532.6040 -9.7669 -9.8031 PRESSURE: 643200 -101.985 101.82 -173.56 101.821 -110.234 114.898 -173.56 114.898 -86.9038 GPRESSURE: 643200 -56.8737 57.9434 -195.585 51.547 -35.8644 140.643 52.0051 20.5072 -88.6602 PRESSAVG: 643200 -0.217833 -48.8133 19.5088 -48.8133 -33.0855 -16.0957 19.5088 -16.0958 -24.1315 GPRESSAVG: 643200 -0.0403009 -49.5935 19.1146 -46.5218 -33.576 -15.5068 19.9845 -19.4238 -23.4067 TIMING: 643200 CPU: 2032.58, 0.00315429/step Wall: 2032.58, 0.00315429/step, 3.8174 hours remaining, 233.839844 MB of memory in use. ENERGY: 643200 4049.0568 20554.3957 14439.1146 248.7644 -203131.0630 2478.8589 0.0000 0.0000 52216.6189 -109144.2537 300.0896 -161360.8726 -108777.6364 299.2988 -99.7077 -60.4661 763652.8380 -19.1449 -19.0077 PRESSURE: 643400 -170.113 193.025 -88.2744 193.025 -7.2806 211.077 -88.2749 211.078 -384.064 GPRESSURE: 643400 -153.402 209.546 -90.6322 77.7499 -16.1692 211.907 3.42448 183.703 -295.95 PRESSAVG: 643400 68.3634 23.6183 -59.5736 23.6182 -92.7683 -35.5748 -59.5736 -35.5748 -12.343 GPRESSAVG: 643400 68.1453 23.091 -58.411 21.8813 -92.3766 -36.1511 -59.4211 -33.8512 -12.6221 TIMING: 643400 CPU: 2033.21, 0.00314467/step Wall: 2033.21, 0.00314467/step, 3.80558 hours remaining, 233.839844 MB of memory in use. ENERGY: 643400 3927.8674 20552.6642 14459.6197 256.6020 -203311.4854 2449.6527 0.0000 0.0000 52286.9422 -109378.1372 300.4938 -161665.0794 -109009.2404 299.2123 -187.1527 -155.1738 763075.5250 -12.2493 -12.2845 PRESSURE: 643600 0.0909878 -37.0628 -33.1657 -37.061 -194.821 165.043 -33.1657 165.041 375.049 GPRESSURE: 643600 45.5947 12.9426 -9.53942 -91.2542 -204.396 128.645 -89.5219 209.53 412.684 PRESSAVG: 643600 23.3441 22.3503 -24.888 22.3504 -22.2557 27.1205 -24.8881 27.1206 -15.4028 GPRESSAVG: 643600 22.6534 23.6446 -24.9183 21.6967 -20.2213 26.9897 -24.9504 29.827 -16.2986 TIMING: 643600 CPU: 2033.84, 0.00317669/step Wall: 2033.84, 0.00317669/step, 3.84415 hours remaining, 233.839844 MB of memory in use. ENERGY: 643600 3960.4234 20727.9313 14505.0141 235.2541 -203507.2685 2535.1430 0.0000 0.0000 52187.5619 -109355.9407 299.9226 -161543.5026 -108997.0102 298.8026 60.1061 84.6275 761846.5023 -4.7715 -4.6222 PRESSURE: 643800 87.04 58.4177 -362.219 58.4172 156.223 -176.511 -362.22 -176.509 68.0608 GPRESSURE: 643800 86.4839 119.863 -454.433 0.89465 171.906 -131.032 -250.948 -56.201 128.041 PRESSAVG: 643800 -14.6828 -26.7763 6.82053 -26.7763 83.0697 -9.10545 6.82052 -9.10552 35.1986 GPRESSAVG: 643800 -13.4966 -26.4145 6.09017 -24.8772 81.5675 -7.60668 8.25467 -12.336 35.7622 TIMING: 643800 CPU: 2034.48, 0.00317582/step Wall: 2034.48, 0.00317582/step, 3.84292 hours remaining, 233.839844 MB of memory in use. ENERGY: 643800 4035.2605 20549.4905 14489.5952 256.7683 -203642.9333 3005.9474 0.0000 0.0000 52037.0687 -109268.8029 299.0577 -161305.8716 -108912.6247 299.4441 103.7746 128.8103 761962.0513 34.5285 34.6110 PRESSURE: 644000 -182.586 -0.0503647 149.586 -0.0492347 -34.0747 12.45 149.586 12.4491 -22.734 GPRESSURE: 644000 -84.6252 -10.5116 86.4153 -32.7977 -10.873 -3.11797 154.802 140.347 -51.3511 PRESSAVG: 644000 19.4691 14.7038 -50.0153 14.7039 -3.37021 61.1545 -50.0153 61.1545 -14.4273 GPRESSAVG: 644000 19.0751 14.6128 -49.4362 13.4342 -3.13364 59.6483 -51.3994 65.8167 -14.7667 TIMING: 644000 CPU: 2035.11, 0.00314932/step Wall: 2035.11, 0.00314932/step, 3.81067 hours remaining, 233.839844 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: 644000 4048.1525 20613.2792 14599.3023 248.5354 -203050.1130 2537.0101 0.0000 0.0000 51976.8365 -109026.9970 298.7116 -161003.8335 -108672.2016 299.1543 -79.7984 -48.9498 762607.6600 0.5572 0.3916 PRESSURE: 644200 -241.252 -22.5217 31.5577 -22.5221 136.56 148.233 31.5571 148.233 -422.875 GPRESSURE: 644200 -217.172 -27.3206 -52.7466 -13.3332 124.649 215.793 95.5171 -26.562 -341.517 PRESSAVG: 644200 35.3522 -7.1448 -54.2377 -7.14473 15.7268 -11.7198 -54.2377 -11.7198 22.5979 GPRESSAVG: 644200 35.3601 -7.63685 -56.5246 -6.83256 16.1577 -10.8147 -52.0214 -13.9178 22.7148 TIMING: 644200 CPU: 2035.74, 0.00315512/step Wall: 2035.74, 0.00315512/step, 3.81752 hours remaining, 233.839844 MB of memory in use. ENERGY: 644200 3996.1303 20565.3247 14542.0822 265.1504 -203236.3290 2584.9653 0.0000 0.0000 52192.8527 -109089.8234 299.9530 -161282.6762 -108720.2732 299.4802 -175.8557 -144.6802 762701.7295 24.5590 24.7442 LDB: ============= START OF LOAD BALANCING ============== 2048.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2048.27 LDB: =============== DONE WITH MIGRATION ================ 2048.27 LDB: ============= START OF LOAD BALANCING ============== 2048.59 LDB: Largest compute 7058 load 0.030906 is 15.8% of average load 0.195212 LDB: Average compute 0.004393 is 2.3% of average load 0.195212 LDB: TIME 2048.59 LOAD: AVG 0.195212 MAX 0.216632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.504 MB LDB: TIME 2048.59 LOAD: AVG 0.195212 MAX 0.216632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: TIME 2048.59 LOAD: AVG 0.195212 MAX 0.216632 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.598 MB LDB: ============== END OF LOAD BALANCING =============== 2048.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2048.6 PRESSURE: 644400 -235.546 95.2583 -54.0139 95.2582 -121.926 284.326 -54.014 284.326 -7.82652 GPRESSURE: 644400 -232.223 63.4502 -64.5869 95.3315 -0.392075 236.485 -104.735 204.47 -33.8039 PRESSAVG: 644400 80.2504 19.8667 9.94117 19.8666 -116.315 20.6726 9.94119 20.6726 -3.19573 GPRESSAVG: 644400 79.4451 21.4123 10.6617 18.0751 -115.378 20.7801 7.84653 19.0274 -3.95975 TIMING: 644400 CPU: 2036.38, 0.00323077/step Wall: 2036.38, 0.00323077/step, 3.90888 hours remaining, 234.148438 MB of memory in use. ENERGY: 644400 3944.0476 20463.2966 14525.6250 239.7955 -202910.0626 2482.2793 0.0000 0.0000 52007.8179 -109247.2008 298.8896 -161255.0187 -108880.3239 299.2716 -121.7664 -88.8062 765178.4384 -13.0868 -13.2975 PRESSURE: 644600 93.9559 -89.0848 126.105 -89.0858 -116.817 3.22711 126.105 3.22788 294.624 GPRESSURE: 644600 149.801 -53.9798 113.529 -104.464 -16.9075 73.5162 -43.7968 -26.7206 214.549 PRESSAVG: 644600 45.8587 -4.81693 29.5625 -4.81688 -68.4951 -13.2954 29.5625 -13.2955 1.75794 GPRESSAVG: 644600 47.0233 -4.6392 29.8094 -4.39472 -69.5121 -13.3178 30.2211 -14.4658 1.10368 TIMING: 644600 CPU: 2037.01, 0.00314853/step Wall: 2037.01, 0.00314853/step, 3.8092 hours remaining, 234.351562 MB of memory in use. ENERGY: 644600 3961.6252 20716.7383 14435.5219 216.2963 -203141.7984 2565.1730 0.0000 0.0000 51986.2092 -109260.2344 298.7655 -161246.4437 -108904.7253 298.7587 90.5878 115.8143 764564.0185 -6.9595 -7.1284 PRESSURE: 644800 -329.81 19.6774 -14.7458 19.6771 -157.909 -90.7521 -14.7462 -90.7521 -243.802 GPRESSURE: 644800 -283.674 -35.7971 -7.72803 39.495 -96.3088 -76.3224 38.9548 -154.895 -267.49 PRESSAVG: 644800 -6.00569 57.1131 24.2546 57.113 9.86823 -25.7805 24.2546 -25.7805 2.88382 GPRESSAVG: 644800 -6.89444 56.289 23.4588 59.4387 9.99495 -24.2038 23.3045 -24.7802 3.75502 TIMING: 644800 CPU: 2037.64, 0.00315711/step Wall: 2037.64, 0.00315711/step, 3.81941 hours remaining, 234.351562 MB of memory in use. ENERGY: 644800 3998.7797 20650.3570 14443.5045 248.1283 -202919.5711 2310.5770 0.0000 0.0000 52130.8016 -109137.4230 299.5964 -161268.2246 -108771.3253 299.2739 -243.8402 -215.8241 764301.6364 2.2488 2.2852 PRESSURE: 645000 114.352 -50.1607 -141.555 -50.1605 -22.4463 -141.664 -141.555 -141.663 -255.034 GPRESSURE: 645000 76.0382 -16.0397 -164.123 20.5979 95.6082 -189.917 23.3141 -203.738 -241.587 PRESSAVG: 645000 -18.7841 7.33817 13.8667 7.33824 6.01413 -21.5119 13.8667 -21.5119 -6.51035 GPRESSAVG: 645000 -18.7507 6.84017 14.2054 4.79371 6.55877 -23.3134 14.0048 -20.4765 -6.64393 TIMING: 645000 CPU: 2038.27, 0.00314632/step Wall: 2038.27, 0.00314632/step, 3.80617 hours remaining, 234.351562 MB of memory in use. ENERGY: 645000 4059.1124 20369.4909 14488.2282 276.1725 -203115.1928 2736.8928 0.0000 0.0000 52067.5648 -109117.7312 299.2330 -161185.2961 -108757.4585 299.7263 -54.3760 -23.3134 763765.7715 -6.4268 -6.2786 PRESSURE: 645200 -336.652 112.234 -284.573 112.235 116.138 -209.995 -284.574 -209.997 16.9419 GPRESSURE: 645200 -214.055 132.462 -206.492 36.3375 59.8721 -240.343 -296.943 -194.034 19.6542 PRESSAVG: 645200 -29.9725 0.0596455 8.96317 0.0596788 -2.97473 -45.5003 8.96314 -45.5003 13.6371 GPRESSAVG: 645200 -28.9332 -0.909618 9.10192 2.73476 -3.1031 -45.7452 10.0741 -46.0724 12.5264 TIMING: 645200 CPU: 2038.91, 0.00316734/step Wall: 2038.91, 0.00316734/step, 3.83143 hours remaining, 234.351562 MB of memory in use. ENERGY: 645200 3968.4398 20409.3863 14559.3286 228.3311 -203327.8261 2746.4696 0.0000 0.0000 52162.6534 -109253.2173 299.7795 -161415.8708 -108880.6870 298.9864 -67.8573 -44.8428 762331.9722 -6.4367 -6.5033 PRESSURE: 645400 -85.9707 161.665 -20.2968 161.666 -83.3236 -37.9958 -20.2972 -37.9968 -225.932 GPRESSURE: 645400 -111.185 170.72 -25.8413 104.892 -67.6416 -7.91238 56.3701 53.7668 -125.251 PRESSAVG: 645400 12.4189 47.448 -17.6886 47.448 -16.2878 -61.1732 -17.6886 -61.1733 13.3304 GPRESSAVG: 645400 11.8651 49.3404 -18.2284 45.9001 -16.7785 -61.0784 -18.6745 -62.3554 14.51 TIMING: 645400 CPU: 2039.54, 0.00314494/step Wall: 2039.54, 0.00314494/step, 3.80416 hours remaining, 234.351562 MB of memory in use. ENERGY: 645400 3968.7663 20661.6438 14515.0108 236.3360 -203102.3439 2588.7709 0.0000 0.0000 51936.8285 -109194.9876 298.4817 -161131.8161 -108835.7669 299.2868 -131.7420 -101.3593 763467.0252 3.1538 3.1989 PRESSURE: 645600 127.441 -132.354 -101.161 -132.354 281.471 68.3431 -101.162 68.3423 195.829 GPRESSURE: 645600 102.405 -175.243 -118.071 -64.4795 363.441 33.4397 -22.0483 -50.1815 243.884 PRESSAVG: 645600 29.4293 12.6935 -7.41232 12.6935 -5.41153 9.11866 -7.41237 9.11865 15.3591 GPRESSAVG: 645600 29.6136 10.7433 -8.10381 14.269 -5.42426 9.58351 -7.29704 7.54086 14.9523 TIMING: 645600 CPU: 2040.17, 0.00314576/step Wall: 2040.17, 0.00314576/step, 3.80497 hours remaining, 234.351562 MB of memory in use. ENERGY: 645600 4024.2997 20478.6761 14448.8193 251.0846 -203516.4057 3029.2601 0.0000 0.0000 52014.2935 -109269.9725 298.9269 -161284.2659 -108911.0579 299.2564 201.5804 236.5766 762837.3780 13.1256 13.0472 PRESSURE: 645800 -91.4265 -133.628 -89.0428 -133.627 -282.07 53.0515 -89.0433 53.0505 296.915 GPRESSURE: 645800 -26.5277 -233.598 5.58554 -72.9967 -197.193 45.5992 -127.452 59.4369 238.502 PRESSAVG: 645800 6.54204 -14.178 -52.892 -14.178 -5.62953 -19.2449 -52.8919 -19.2449 11.1357 GPRESSAVG: 645800 5.81627 -13.6567 -50.5097 -15.3549 -5.03408 -18.4022 -54.7905 -16.8203 11.3307 TIMING: 645800 CPU: 2040.8, 0.00315651/step Wall: 2040.8, 0.00315651/step, 3.8178 hours remaining, 234.351562 MB of memory in use. ENERGY: 645800 4028.3803 20702.9373 14458.4163 261.8690 -203767.1683 2839.2080 0.0000 0.0000 51874.1140 -109602.2435 298.1212 -161476.3575 -109247.3631 298.8241 -25.5270 4.9271 761452.6317 4.0161 4.0376 PRESSURE: 646000 -120.572 -158.623 -117.867 -158.624 -285.921 -154.198 -117.866 -154.198 -279.614 GPRESSURE: 646000 -159.527 -64.2345 -72.4705 -247.151 -212.606 -233.974 26.4063 -127.597 -230.673 PRESSAVG: 646000 30.1462 -39.5493 -24.4414 -39.5493 -15.4848 53.4306 -24.4413 53.4305 2.93694 GPRESSAVG: 646000 30.3787 -37.6647 -25.6861 -39.7702 -14.8923 52.0468 -21.6251 54.9337 2.27796 TIMING: 646000 CPU: 2041.42, 0.00313749/step Wall: 2041.42, 0.00313749/step, 3.79462 hours remaining, 234.351562 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: 646000 4043.1226 20618.5136 14459.8815 254.2365 -203646.9935 2797.3873 0.0000 0.0000 52050.7356 -109423.1165 299.1363 -161473.8520 -109064.7118 299.0211 -228.7021 -200.9352 763638.4658 5.8661 5.9215 PRESSURE: 646200 -114.092 101.492 -169.218 101.491 -89.9927 -214.768 -169.219 -214.767 -4.79878 GPRESSURE: 646200 -56.9507 69.9812 -90.4673 -5.71163 -126.866 -219.871 -253.643 -154.449 75.1407 PRESSAVG: 646200 26.2037 -1.31259 -33.0033 -1.31266 -16.2582 -34.672 -33.0033 -34.6719 12.2202 GPRESSAVG: 646200 26.2963 -1.68114 -31.4885 -0.934574 -16.2832 -35.7486 -34.8441 -35.0921 12.6138 TIMING: 646200 CPU: 2042.05, 0.00314991/step Wall: 2042.05, 0.00314991/step, 3.80947 hours remaining, 234.351562 MB of memory in use. ENERGY: 646200 3991.1455 20689.2354 14557.0689 246.3918 -203659.7430 2962.9454 0.0000 0.0000 51871.7593 -109341.1966 298.1077 -161212.9559 -108983.3815 298.8235 -69.6278 -36.2252 761542.1441 7.3886 7.5423 PRESSURE: 646400 -43.348 -171.987 102.697 -171.986 53.6636 125.371 102.697 125.372 162.557 GPRESSURE: 646400 -19.7452 -162.83 185.375 -170.281 55.7276 72.7774 41.7932 18.5852 215.926 PRESSAVG: 646400 41.6522 37.117 -18.5967 37.117 -61.4978 29.1122 -18.5966 29.1121 -4.19483 GPRESSAVG: 646400 43.5701 37.4542 -19.7121 36.6144 -62.7131 31.9611 -17.1268 25.8302 -5.00767 TIMING: 646400 CPU: 2042.69, 0.00316202/step Wall: 2042.69, 0.00316202/step, 3.82394 hours remaining, 234.351562 MB of memory in use. ENERGY: 646400 4016.8138 20470.7657 14552.2814 275.9875 -203582.3964 2831.7915 0.0000 0.0000 52004.2405 -109430.5159 298.8691 -161434.7564 -109076.2416 299.0251 57.6241 83.9696 759807.5379 -8.0135 -8.0502 PRESSURE: 646600 179.149 -9.40055 -124.082 -9.40103 6.90748 205.432 -124.082 205.432 93.6798 GPRESSURE: 646600 191.991 -2.23769 -155.543 -67.3008 31.154 153.469 -62.3696 264.373 122.79 PRESSAVG: 646600 50.4958 28.5302 -8.10792 28.5302 -3.2832 32.33 -8.10789 32.33 2.92021 GPRESSAVG: 646600 48.1673 26.0779 -8.08117 29.5553 -3.0599 31.372 -9.11519 34.3516 3.98142 TIMING: 646600 CPU: 2043.32, 0.00316356/step Wall: 2043.32, 0.00316356/step, 3.82563 hours remaining, 234.351562 MB of memory in use. ENERGY: 646600 3978.5440 20600.0883 14508.2827 246.4679 -203361.8990 2581.9966 0.0000 0.0000 51912.1781 -109534.3414 298.3400 -161446.5195 -109173.7013 298.8649 93.2454 115.3115 759461.5732 16.7109 16.3629 PRESSURE: 646800 -225.425 -111.077 -37.9638 -111.077 -331.978 193.811 -37.9641 193.813 -97.0712 GPRESSURE: 646800 -204.58 -119.175 32.953 -10.7082 -218.743 149.504 -61.2358 105.073 -136.01 PRESSAVG: 646800 -9.02433 42.7507 -11.2413 42.7507 -27.3057 11.2594 -11.2413 11.2594 -2.58207 GPRESSAVG: 646800 -7.10242 42.8146 -11.6668 42.8674 -26.8481 10.6956 -10.5972 11.3327 -4.16346 TIMING: 646800 CPU: 2043.95, 0.00316464/step Wall: 2043.95, 0.00316464/step, 3.82675 hours remaining, 234.351562 MB of memory in use. ENERGY: 646800 3988.5053 20513.4553 14511.7947 249.1699 -203106.7041 2430.3298 0.0000 0.0000 51953.4004 -109460.0487 298.5769 -161413.4491 -109100.2322 299.0066 -218.1580 -186.4443 762945.0449 -12.9707 -12.7046 PRESSURE: 647000 125.31 -85.2124 -323.292 -85.2123 -155.361 -135.409 -323.292 -135.409 -180.032 GPRESSURE: 647000 115.71 -130.585 -316.532 -61.6102 -172.336 -180.244 -317.923 -19.9469 -51.9132 PRESSAVG: 647000 51.0581 20.2765 -65.1874 20.2765 -21.941 -8.54991 -65.1874 -8.5499 -2.23498 GPRESSAVG: 647000 49.3871 23.0297 -64.6341 20.8639 -21.5976 -8.08361 -62.8829 -8.77666 -0.411762 TIMING: 647000 CPU: 2044.58, 0.00314899/step Wall: 2044.58, 0.00314899/step, 3.80766 hours remaining, 234.351562 MB of memory in use. ENERGY: 647000 4021.9595 20697.9018 14489.1185 247.0719 -203356.3070 2542.7300 0.0000 0.0000 51986.9637 -109370.5617 298.7698 -161357.5254 -109012.8280 298.9697 -70.0276 -36.1799 760279.7884 8.9607 9.1259 PRESSURE: 647200 -143.412 -439.204 -171.805 -439.204 -80.3779 108.118 -171.805 108.118 20.7205 GPRESSURE: 647200 -37.665 -360.304 -186.495 -512.105 -100.528 84.7845 -184.047 91.4195 19.4785 PRESSAVG: 647200 4.71053 -45.2155 -89.3688 -45.2155 -39.9182 -2.68662 -89.3688 -2.68661 -0.889084 GPRESSAVG: 647200 6.19474 -46.4701 -88.8892 -45.1984 -40.7322 -2.03927 -91.7274 -1.90301 -1.67269 TIMING: 647200 CPU: 2045.21, 0.00315411/step Wall: 2045.21, 0.00315411/step, 3.81366 hours remaining, 234.351562 MB of memory in use. ENERGY: 647200 4067.2613 20586.2541 14506.6361 251.3094 -203840.4010 2855.9303 0.0000 0.0000 52361.7251 -109211.2847 300.9236 -161573.0098 -108854.8099 299.9248 -67.6898 -39.5716 761212.9032 -12.0323 -12.0700 PRESSURE: 647400 79.1749 46.6289 -25.7891 46.6288 71.6086 -115.915 -25.789 -115.916 -41.5013 GPRESSURE: 647400 61.3881 52.4562 -35.2984 104.017 123.187 -138.125 -14.7657 -116.859 21.3639 PRESSAVG: 647400 -79.9058 1.5422 -31.3836 1.5422 23.9209 7.89486 -31.3836 7.89482 -1.83407 GPRESSAVG: 647400 -78.487 0.933138 -32.6909 2.35289 22.8582 6.49327 -34.8134 9.35825 -1.56269 TIMING: 647400 CPU: 2045.84, 0.00314832/step Wall: 2045.84, 0.00314832/step, 3.80649 hours remaining, 234.554688 MB of memory in use. ENERGY: 647400 4039.5978 20661.1966 14474.9558 257.4548 -203584.8543 2790.7738 0.0000 0.0000 52159.2147 -109201.6607 299.7597 -161360.8754 -108838.7179 300.1095 36.4274 68.6462 760190.4363 -19.2730 -19.0638 PRESSURE: 647600 -64.437 -26.0469 -25.8232 -26.0463 115.101 28.3204 -25.8238 28.3207 319.952 GPRESSURE: 647600 -20.3746 -79.6672 -23.3533 -9.8755 141.902 -51.2955 79.6084 164.126 311.166 PRESSAVG: 647600 0.970682 37.1316 -105.386 37.1317 -29.5797 12.5259 -105.386 12.5259 -19.0725 GPRESSAVG: 647600 -0.0316187 37.8934 -103.877 36.683 -29.2517 13.2978 -102.012 8.54119 -18.1246 TIMING: 647600 CPU: 2046.48, 0.00317075/step Wall: 2046.48, 0.00317075/step, 3.83344 hours remaining, 234.554688 MB of memory in use. ENERGY: 647600 4018.5619 20744.6619 14485.8366 253.8061 -203402.5748 2657.6330 0.0000 0.0000 52174.2051 -109067.8702 299.8459 -161242.0753 -108696.6373 299.7184 123.5386 144.2311 759272.1242 -15.8938 -15.8026 PRESSURE: 647800 -51.5993 -41.4131 -143.717 -41.4123 -108.132 71.9857 -143.717 71.9851 138.964 GPRESSURE: 647800 -13.2976 -65.9372 -171.992 -20.3156 -16.7224 177.021 -89.6297 -97.3337 94.9503 PRESSAVG: 647800 22.0434 -12.1327 -87.2721 -12.1327 8.61074 32.3103 -87.2721 32.3104 14.0055 GPRESSAVG: 647800 21.7903 -11.7638 -87.5866 -12.1861 8.71741 32.3464 -88.4118 33.0358 13.6274 TIMING: 647800 CPU: 2047.11, 0.00315608/step Wall: 2047.11, 0.00315608/step, 3.81553 hours remaining, 234.554688 MB of memory in use. ENERGY: 647800 4027.1898 20775.4326 14482.3822 266.1464 -202990.9736 2391.2450 0.0000 0.0000 52196.0402 -108852.5375 299.9714 -161048.5777 -108486.1289 300.1756 -6.9224 21.6434 762712.3031 14.8865 14.7117 PRESSURE: 648000 397.529 136.189 10.7072 136.189 -210.018 217.623 10.707 217.623 64.8593 GPRESSURE: 648000 291.608 151.019 -5.75382 125.265 -54.3444 162.841 42.7081 231.018 95.3147 PRESSAVG: 648000 -29.2581 74.3758 -67.4638 74.3758 -1.98262 -5.88991 -67.4638 -5.88993 -6.52324 GPRESSAVG: 648000 -30.3934 73.9016 -68.6162 74.2739 -0.444612 -5.94796 -66.7722 -4.82541 -6.85246 TIMING: 648000 CPU: 2047.74, 0.00314066/step Wall: 2047.74, 0.00314066/step, 3.79671 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: 648000 4010.0494 20482.7961 14429.6582 253.8487 -203098.9277 2693.1255 0.0000 0.0000 52143.7813 -109085.6685 299.6710 -161229.4498 -108716.0130 300.0907 84.1235 110.8593 761045.0882 -12.5880 -12.5635 PRESSURE: 648200 -134.025 36.604 -37.0148 36.6046 -257.65 175.775 -37.0143 175.775 -401.534 GPRESSURE: 648200 -35.2502 55.9477 -36.6616 60.5268 -245.748 119.722 -7.02948 228.635 -413.748 PRESSAVG: 648200 -24.5126 62.2753 -84.2493 62.2753 -21.354 23.8503 -84.2493 23.8501 -4.41926 GPRESSAVG: 648200 -22.6194 63.107 -84.5495 61.3323 -21.7481 22.7071 -83.8344 26.6481 -6.0636 TIMING: 648200 CPU: 2048.37, 0.00314703/step Wall: 2048.37, 0.00314703/step, 3.80423 hours remaining, 234.554688 MB of memory in use. ENERGY: 648200 3990.5102 20689.4654 14475.6164 244.4569 -203002.3930 2288.5313 0.0000 0.0000 52352.5980 -108961.2147 300.8711 -161313.8128 -108595.5447 299.7551 -264.4029 -231.5823 762486.2877 -16.7620 -16.8104 LDB: ============= START OF LOAD BALANCING ============== 2060.9 LDB: ============== END OF LOAD BALANCING =============== 2060.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2060.9 LDB: ============= START OF LOAD BALANCING ============== 2061.21 LDB: Largest compute 7041 load 0.030417 is 15.6% of average load 0.195276 LDB: Average compute 0.004387 is 2.2% of average load 0.195276 LDB: TIME 2061.22 LOAD: AVG 0.195276 MAX 0.216331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.871 MB LDB: TIME 2061.22 LOAD: AVG 0.195276 MAX 0.216331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: TIME 2061.22 LOAD: AVG 0.195276 MAX 0.216331 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: ============== END OF LOAD BALANCING =============== 2061.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2061.22 PRESSURE: 648400 338.602 39.5798 -101.241 39.5795 82.0575 -49.1156 -101.241 -49.1152 166.626 GPRESSURE: 648400 228.427 -46.3518 -95.8821 28.7891 210.185 4.50085 -68.6494 -102.354 241.923 PRESSAVG: 648400 -64.2158 8.47202 -35.2524 8.47212 18.9608 -72.5492 -35.2524 -72.5492 -0.197927 GPRESSAVG: 648400 -65.2613 8.39355 -34.6636 9.71319 17.7987 -71.5856 -36.3915 -74.829 2.36151 TIMING: 648400 CPU: 2049.01, 0.0032025/step Wall: 2049.01, 0.0032025/step, 3.87111 hours remaining, 234.406250 MB of memory in use. ENERGY: 648400 4029.8446 20857.9556 14545.7837 234.6849 -203576.8469 2808.9773 0.0000 0.0000 52122.4974 -108977.1032 299.5487 -161099.6007 -108616.5870 300.2801 195.7618 226.8452 761641.4086 -15.1510 -15.0337 PRESSURE: 648600 -129.714 -204.201 63.1065 -204.2 -220.418 -49.0838 63.1072 -49.0844 -83.4514 GPRESSURE: 648600 -94.168 -213.539 148.019 -226.936 -211.1 -56.3281 167.208 31.8303 -38.58 PRESSAVG: 648600 5.88793 44.2993 0.499999 44.2993 -0.968373 15.6631 0.499967 15.663 -3.90418 GPRESSAVG: 648600 6.00182 42.5884 0.733709 43.1946 0.34493 16.7067 1.13705 14.0594 -4.91729 TIMING: 648600 CPU: 2049.64, 0.00315883/step Wall: 2049.64, 0.00315883/step, 3.81815 hours remaining, 234.472656 MB of memory in use. ENERGY: 648600 4067.2676 20816.5406 14541.5614 261.8412 -202851.9114 2281.6212 0.0000 0.0000 51895.6235 -108987.4558 298.2449 -160883.0793 -108633.9729 300.1128 -144.5280 -114.6161 763842.9782 0.3385 0.4765 PRESSURE: 648800 -498.586 203.423 -299.457 203.423 -375.244 145.002 -299.458 145.003 -166.544 GPRESSURE: 648800 -478.277 165.073 -312.216 127.054 -340.119 69.3197 -329.625 176.831 -131.255 PRESSAVG: 648800 -7.30322 8.81633 -26.9315 8.81634 19.2751 29.198 -26.9316 29.1979 -3.04541 GPRESSAVG: 648800 -6.04132 10.167 -25.5691 7.44798 19.1812 27.3056 -28.8073 29.0549 -4.08899 TIMING: 648800 CPU: 2050.27, 0.00315485/step Wall: 2050.27, 0.00315485/step, 3.81317 hours remaining, 234.472656 MB of memory in use. ENERGY: 648800 4065.2614 20711.5833 14473.2600 231.1036 -203352.8922 2664.3767 0.0000 0.0000 52045.6709 -109161.6363 299.1072 -161207.3072 -108800.5297 299.7521 -346.7913 -316.5504 763243.9422 2.9755 3.0170 PRESSURE: 649000 211.298 -105.44 -62.5884 -105.441 -237.744 6.38699 -62.5901 6.3873 234.637 GPRESSURE: 649000 124.263 -127.553 54.27 -150.88 -80.1004 -54.9563 -64.4749 -19.8133 254.314 PRESSAVG: 649000 32.3144 4.03947 -82.9823 4.03952 40.6037 -11.9378 -82.9823 -11.9378 28.3489 GPRESSAVG: 649000 31.2877 5.19219 -83.964 6.39655 40.3944 -11.2205 -80.5891 -10.1699 29.7744 TIMING: 649000 CPU: 2050.9, 0.00316799/step Wall: 2050.9, 0.00316799/step, 3.82887 hours remaining, 234.472656 MB of memory in use. ENERGY: 649000 3973.5508 20590.6188 14639.8947 243.5842 -203558.3151 2817.8383 0.0000 0.0000 52194.0371 -109098.7911 299.9598 -161292.8282 -108736.0145 300.1078 69.3970 99.4922 761571.9131 33.7557 33.8188 PRESSURE: 649200 -24.8902 -175.535 -41.3573 -175.535 36.3615 214.809 -41.3573 214.81 114.217 GPRESSURE: 649200 58.7499 -137.082 -78.7441 -74.3757 -2.57425 251.02 -160.375 34.3285 144.776 PRESSAVG: 649200 28.1213 -41.7314 -51.4207 -41.7314 -81.7159 17.292 -51.4206 17.292 -7.97645 GPRESSAVG: 649200 27.1044 -42.607 -51.489 -41.5089 -81.9963 18.416 -54.4942 14.0368 -7.11869 TIMING: 649200 CPU: 2051.53, 0.0031585/step Wall: 2051.53, 0.0031585/step, 3.81722 hours remaining, 234.472656 MB of memory in use. ENERGY: 649200 3958.7403 20593.5448 14474.2844 251.9344 -203557.1613 2961.4441 0.0000 0.0000 52212.8651 -109104.3482 300.0681 -161317.2133 -108744.3405 299.4384 41.8962 66.9840 763118.0008 -20.5237 -20.6702 PRESSURE: 649400 -400.761 183.611 -183.192 183.612 -85.3091 -26.791 -183.192 -26.7918 422.765 GPRESSURE: 649400 -336.702 250.543 -181.185 45.5115 -21.502 27.1891 -172.74 107.363 393.058 PRESSAVG: 649400 3.93515 9.52529 -53.2278 9.52533 -27.4248 51.2562 -53.2278 51.2561 2.51884 GPRESSAVG: 649400 5.04343 9.82255 -51.7783 9.11895 -26.6385 51.9728 -51.2782 52.1709 0.726187 TIMING: 649400 CPU: 2052.16, 0.00313749/step Wall: 2052.16, 0.00313749/step, 3.79166 hours remaining, 234.472656 MB of memory in use. ENERGY: 649400 3993.8832 20542.2095 14504.8468 247.0963 -203426.9851 2757.7158 0.0000 0.0000 52319.9760 -109061.2575 300.6836 -161381.2335 -108700.8447 300.0679 -21.1018 11.6180 763198.5763 -6.9903 -6.9563 PRESSURE: 649600 -234.684 29.3102 -15.2435 29.3098 -205.018 -139.99 -15.2447 -139.989 -431.722 GPRESSURE: 649600 -356.061 -104.356 6.97557 -57.5624 -109.997 -188.615 -52.3706 -150.132 -328.152 PRESSAVG: 649600 16.4187 -3.86452 -23.3349 -3.8645 2.13985 -11.802 -23.3348 -11.802 -3.28802 GPRESSAVG: 649600 15.6461 -3.05685 -25.0823 -4.93404 2.7695 -15.0133 -24.1497 -8.71105 -3.20183 TIMING: 649600 CPU: 2052.79, 0.00315253/step Wall: 2052.79, 0.00315253/step, 3.80966 hours remaining, 234.472656 MB of memory in use. ENERGY: 649600 4089.5164 20612.0840 14538.8975 252.8292 -203500.4840 2790.3963 0.0000 0.0000 51904.9174 -109311.8432 298.2983 -161216.7606 -108942.7784 299.8896 -290.4748 -264.7363 763690.9853 5.0902 5.0713 PRESSURE: 649800 -68.9357 33.0712 17.5167 33.0715 -155.667 30.735 17.5175 30.7335 -520.857 GPRESSURE: 649800 24.3711 84.9268 -1.14928 83.5425 -118.73 73.8473 24.6868 -57.8473 -555.749 PRESSAVG: 649800 -10.1138 45.2525 -39.2672 45.2525 -39.1018 27.9866 -39.2672 27.9867 6.90011 GPRESSAVG: 649800 -8.49798 43.6222 -38.5043 45.3476 -40.0824 28.5145 -39.4789 28.0442 6.75084 TIMING: 649800 CPU: 2053.43, 0.00317741/step Wall: 2053.43, 0.00317741/step, 3.83955 hours remaining, 234.472656 MB of memory in use. ENERGY: 649800 4001.6489 20446.3801 14527.4529 244.6783 -203496.2002 2612.8055 0.0000 0.0000 52145.7855 -109517.4490 299.6825 -161663.2346 -109149.7794 299.4000 -248.4863 -216.7026 764778.2591 -14.1052 -13.9432 PRESSURE: 650000 -305.756 24.6305 126.323 24.631 -88.4931 150.913 126.322 150.913 -21.9017 GPRESSURE: 650000 -233.167 128.974 117.913 -6.83589 -136.216 195.131 100.45 59.0852 37.6842 PRESSAVG: 650000 -28.1874 -3.80078 -29.5081 -3.80068 -1.41676 -27.9001 -29.5081 -27.9 -19.9188 GPRESSAVG: 650000 -28.8748 -3.06951 -30.3273 -2.07094 -1.22841 -26.558 -29.5358 -29.6252 -18.8825 TIMING: 650000 CPU: 2054.06, 0.00316533/step Wall: 2054.06, 0.00316533/step, 3.82477 hours remaining, 234.472656 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: 650000 4016.5170 20586.2996 14531.4239 221.8824 -203535.3430 2854.5424 0.0000 0.0000 51863.4862 -109461.1916 298.0602 -161324.6778 -109103.4033 299.3992 -138.7169 -110.5662 763117.3225 -16.5076 -16.3286 PRESSURE: 650200 -22.9694 177.085 -6.3775 177.084 395.356 -66.2868 -6.37677 -66.2878 243.345 GPRESSURE: 650200 12.1373 169.295 16.2633 192.415 373.727 5.11526 -72.8859 -188.366 289.04 PRESSAVG: 650200 -51.991 -10.4492 -34.0755 -10.4492 50.859 -9.53602 -34.0755 -9.53611 13.0642 GPRESSAVG: 650200 -51.2207 -11.0505 -33.2092 -9.94671 51.4601 -8.59508 -33.9914 -10.1386 11.7462 TIMING: 650200 CPU: 2054.7, 0.0031797/step Wall: 2054.7, 0.0031797/step, 3.84196 hours remaining, 234.472656 MB of memory in use. ENERGY: 650200 4007.3511 20597.4833 14472.7320 257.4053 -203504.3888 2643.8600 0.0000 0.0000 52060.8252 -109464.7318 299.1943 -161525.5570 -109098.3452 298.9622 205.2440 224.9683 762821.6577 3.9774 3.9952 PRESSURE: 650400 -104.535 -80.8609 62.9551 -80.8601 -201.809 312.076 62.9553 312.076 13.2531 GPRESSURE: 650400 -28.5864 -102.732 77.2028 36.9473 -136.627 231.029 155.067 239.044 -43.9741 PRESSAVG: 650400 -15.0151 -28.5276 -61.7399 -28.5276 27.8342 -14.3706 -61.74 -14.3706 -2.2302 GPRESSAVG: 650400 -15.9116 -29.4214 -63.2357 -29.2214 27.8415 -16.6254 -61.1416 -16.4647 -1.09819 TIMING: 650400 CPU: 2055.32, 0.00314124/step Wall: 2055.32, 0.00314124/step, 3.79531 hours remaining, 234.472656 MB of memory in use. ENERGY: 650400 4006.5060 20425.0474 14486.1013 249.4894 -203405.6762 2581.0470 0.0000 0.0000 52097.6162 -109559.8688 299.4057 -161657.4851 -109198.5327 299.0942 -97.6969 -69.7292 761803.7515 3.5296 3.6106 PRESSURE: 650600 -412.205 -43.5267 -79.1089 -43.5267 -319.008 -94.5798 -79.1096 -94.5798 219.027 GPRESSURE: 650600 -412.56 1.77764 -146.135 -41.4595 -262.89 -101.391 -191.634 -3.95213 234.325 PRESSAVG: 650600 27.5574 18.5609 -10.2113 18.5609 -56.755 -7.35754 -10.2113 -7.35758 0.0938895 GPRESSAVG: 650600 27.3723 20.529 -8.79193 18.3005 -56.1756 -7.50425 -10.0565 -3.99582 0.123004 TIMING: 650600 CPU: 2055.96, 0.00316784/step Wall: 2055.96, 0.00316783/step, 3.82727 hours remaining, 234.472656 MB of memory in use. ENERGY: 650600 4031.7482 20462.7270 14451.9765 216.8320 -203422.0841 2509.9058 0.0000 0.0000 52101.0874 -109647.8072 299.4257 -161748.8946 -109282.0171 298.8634 -170.7285 -147.0416 761932.9298 -9.7012 -9.5601 PRESSURE: 650800 180.18 10.3903 -169.582 10.3903 59.1303 163.217 -169.582 163.217 -86.5923 GPRESSURE: 650800 126.329 -114.152 -158.627 -1.19268 106.92 154.482 -118.154 220.281 7.69793 PRESSAVG: 650800 18.7197 8.58442 27.9593 8.58442 -33.8445 37.32 27.9593 37.32 11.0467 GPRESSAVG: 650800 19.3798 9.19766 26.2769 8.00845 -34.4676 38.0943 26.6429 34.9149 11.1761 TIMING: 650800 CPU: 2056.59, 0.00318251/step Wall: 2056.59, 0.00318251/step, 3.84483 hours remaining, 234.472656 MB of memory in use. ENERGY: 650800 3947.5898 20480.7317 14501.6598 261.7590 -203557.1373 2627.9579 0.0000 0.0000 52094.6406 -109642.7986 299.3886 -161737.4392 -109271.0116 298.6938 50.9061 80.3157 760999.3841 -1.3594 -1.3039 PRESSURE: 651000 -62.1855 -204.29 249.337 -204.29 -136.388 -227.319 249.336 -227.319 63.4435 GPRESSURE: 651000 -79.8926 -116.541 260.697 -263.537 -28.4372 -115.807 179.353 -172.473 59.2001 PRESSAVG: 651000 33.3338 54.8339 -87.281 54.8339 13.3364 6.87495 -87.281 6.87495 -6.30652 GPRESSAVG: 651000 33.6379 53.4078 -85.9702 54.7029 12.4061 5.54071 -86.2607 7.63468 -5.50025 TIMING: 651000 CPU: 2057.23, 0.00316418/step Wall: 2057.23, 0.00316418/step, 3.82251 hours remaining, 234.472656 MB of memory in use. ENERGY: 651000 3929.6727 20480.4865 14565.0737 267.8192 -203612.2993 2645.7167 0.0000 0.0000 52212.9679 -109510.5626 300.0686 -161723.5304 -109147.9962 298.8396 -45.0435 -16.3766 761097.9363 13.4546 13.5146 PRESSURE: 651200 148.995 126.216 136.878 126.217 168.942 132.282 136.878 132.282 -160.983 GPRESSURE: 651200 191.36 128.051 209.604 46.1781 155.91 87.5121 128.522 102.182 -119.14 PRESSAVG: 651200 2.89052 45.7211 -17.5459 45.7211 -4.04913 -59.8105 -17.5459 -59.8105 21.9958 GPRESSAVG: 651200 2.89521 45.7233 -19.6313 44.4837 -3.51543 -58.0905 -17.6569 -59.3312 20.9801 TIMING: 651200 CPU: 2057.86, 0.0031738/step Wall: 2057.86, 0.0031738/step, 3.83396 hours remaining, 234.472656 MB of memory in use. ENERGY: 651200 3928.8311 20630.8492 14480.2747 253.4030 -203069.6190 2600.2316 0.0000 0.0000 51648.0486 -109527.9808 296.8220 -161176.0295 -109174.3915 298.5099 52.3177 76.0433 762680.3382 6.9457 6.7866 PRESSURE: 651400 148.17 233.608 -114.115 233.608 70.9399 -262.43 -114.115 -262.43 144.375 GPRESSURE: 651400 247.519 230.748 -152.502 153.228 34.9414 -208.646 -117.866 -289.412 164.266 PRESSAVG: 651400 24.2982 34.7743 -19.2067 34.7744 -10.375 28.406 -19.2067 28.406 3.39769 GPRESSAVG: 651400 24.9236 36.999 -18.423 33.9291 -10.8914 28.0087 -20.2714 28.2741 3.23639 TIMING: 651400 CPU: 2058.5, 0.00317705/step Wall: 2058.5, 0.00317705/step, 3.8377 hours remaining, 234.472656 MB of memory in use. ENERGY: 651400 3956.2946 20537.2830 14535.9011 242.5754 -203554.2011 2847.4352 0.0000 0.0000 52129.7386 -109304.9732 299.5903 -161434.7118 -108938.9402 299.0028 121.1614 148.9086 759680.8322 5.7736 5.7562 PRESSURE: 651600 -150.271 -46.1821 81.8054 -46.1825 29.0825 35.2844 81.8053 35.2839 -68.0896 GPRESSURE: 651600 -195.018 99.6544 73.1364 -13.9004 115.108 55.1352 -67.0357 36.5698 7.25469 PRESSAVG: 651600 26.7192 36.3608 -26.191 36.3608 -19.5508 51.2098 -26.191 51.2097 17.4545 GPRESSAVG: 651600 27.1094 33.6369 -24.2748 37.6518 -19.2124 50.8043 -28.2016 51.2389 17.2128 TIMING: 651600 CPU: 2059.13, 0.00315694/step Wall: 2059.13, 0.00315694/step, 3.81324 hours remaining, 234.472656 MB of memory in use. ENERGY: 651600 4000.3232 20743.9207 14548.9636 249.5418 -203614.0693 2782.8101 0.0000 0.0000 51971.4181 -109317.0918 298.6805 -161288.5099 -108966.4887 299.2764 -63.0928 -24.2183 759467.3578 8.2076 8.3699 PRESSURE: 651800 -68.0819 224.028 -125.771 224.028 -25.7106 41.253 -125.77 41.2524 237.585 GPRESSURE: 651800 -116.372 210.553 -83.5279 332.761 52.483 11.6216 -146.792 -28.6882 299.535 PRESSAVG: 651800 20.8743 53.8278 5.87569 53.8279 54.4563 -9.06337 5.87569 -9.06331 6.88464 GPRESSAVG: 651800 18.9493 55.7766 5.15641 54.9484 55.4391 -9.71856 10.0185 -9.14169 7.72689 TIMING: 651800 CPU: 2059.76, 0.0031693/step Wall: 2059.76, 0.0031693/step, 3.82799 hours remaining, 234.472656 MB of memory in use. ENERGY: 651800 3950.6969 20607.3563 14507.4283 266.3293 -203350.8053 2705.4611 0.0000 0.0000 52052.0660 -109261.4673 299.1439 -161313.5333 -108900.2901 299.7575 47.9309 78.5488 760286.9566 27.4051 27.3718 PRESSURE: 652000 124.335 43.4895 7.1398 43.4901 -91.569 -93.7817 7.13982 -93.7819 -128.606 GPRESSURE: 652000 87.9181 142.894 -60.3166 -19.3248 1.61443 -153.259 24.6693 -116.732 -112.21 PRESSAVG: 652000 -44.5402 25.185 -0.479121 25.1849 40.4848 -40.3242 -0.479045 -40.3241 9.99642 GPRESSAVG: 652000 -43.0361 24.1274 -0.851904 25.6296 39.2173 -39.8404 -0.972687 -39.7045 10.1767 TIMING: 652000 CPU: 2060.4, 0.00317228/step Wall: 2060.4, 0.00317228/step, 3.8314 hours remaining, 234.472656 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: 652000 4027.0035 20511.5567 14468.4535 229.1715 -203591.9512 2830.4554 0.0000 0.0000 52190.0413 -109335.2693 299.9369 -161525.3106 -108959.8781 298.7596 -31.9466 -7.5593 762085.6338 1.9803 2.1193 PRESSURE: 652200 -328.91 -156.032 -45.1862 -156.032 -211.863 -54.1345 -45.1853 -54.1351 204.634 GPRESSURE: 652200 -371.633 -192.987 -108.08 -51.1698 -74.0151 -57.4462 63.721 -63.0426 200.013 PRESSAVG: 652200 25.7663 68.0367 -40.5587 68.0367 -4.43686 -57.6057 -40.5587 -57.6057 17.5646 GPRESSAVG: 652200 25.4323 68.6634 -39.8052 65.521 -3.92768 -57.3749 -40.7515 -59.4952 17.2765 TIMING: 652200 CPU: 2061.03, 0.00317494/step Wall: 2061.03, 0.00317494/step, 3.83445 hours remaining, 234.472656 MB of memory in use. ENERGY: 652200 3967.4286 20504.3450 14480.6803 258.6762 -203668.2195 2877.4550 0.0000 0.0000 52163.4050 -109416.2294 299.7838 -161579.6345 -109056.4340 299.4036 -112.0463 -81.8783 760910.7834 12.9647 12.9271 LDB: ============= START OF LOAD BALANCING ============== 2073.57 LDB: ============== END OF LOAD BALANCING =============== 2073.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2073.57 LDB: ============= START OF LOAD BALANCING ============== 2073.89 LDB: Largest compute 7058 load 0.031663 is 16.2% of average load 0.195382 LDB: Average compute 0.004381 is 2.2% of average load 0.195382 LDB: TIME 2073.89 LOAD: AVG 0.195382 MAX 0.211983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.434 MB LDB: TIME 2073.89 LOAD: AVG 0.195382 MAX 0.211983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 2073.89 LOAD: AVG 0.195382 MAX 0.211983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 2073.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2073.9 PRESSURE: 652400 202.286 135.823 -48.1536 135.824 301.687 -68.1964 -48.1538 -68.1965 -248.651 GPRESSURE: 652400 239.176 188.07 53.4707 -5.03917 323.486 -32.9374 -58.9414 -51.2485 -205.876 PRESSAVG: 652400 -33.6008 35.8385 21.6366 35.8386 -2.79779 -20.3672 21.6366 -20.3673 -29.2406 GPRESSAVG: 652400 -33.6652 36.2563 22.8798 37.267 -2.45308 -19.3184 19.7835 -17.972 -29.4819 TIMING: 652400 CPU: 2061.68, 0.00323221/step Wall: 2061.68, 0.00323221/step, 3.90343 hours remaining, 234.207031 MB of memory in use. ENERGY: 652400 3988.2679 20615.0719 14455.7980 256.9846 -203448.5621 2667.0843 0.0000 0.0000 51927.1451 -109538.2104 298.4260 -161465.3555 -109191.0801 298.8976 85.1073 118.9289 761403.7513 -21.8797 -21.8667 PRESSURE: 652600 77.7351 -48.7521 138.962 -48.7519 -27.2119 38.6953 138.963 38.695 -87.3668 GPRESSURE: 652600 177.85 -64.2146 103.596 36.7343 -11.2238 41.6135 49.1718 -83.5642 -128.775 PRESSAVG: 652600 -14.4625 28.0939 -28.7471 28.0938 23.1683 9.59538 -28.7471 9.59537 15.3977 GPRESSAVG: 652600 -13.1017 28.1154 -28.9323 29.2473 21.626 8.2746 -28.2879 6.73175 15.5323 TIMING: 652600 CPU: 2062.32, 0.0031961/step Wall: 2062.32, 0.0031961/step, 3.85964 hours remaining, 234.207031 MB of memory in use. ENERGY: 652600 3985.4711 20563.4375 14470.2907 264.9235 -203589.3876 2700.8713 0.0000 0.0000 52186.9364 -109417.4569 299.9190 -161604.3933 -109056.5092 298.9447 -12.2812 12.6170 759613.0150 8.0345 8.0189 PRESSURE: 652800 -212.534 -123.464 -178.573 -123.465 93.1933 257.39 -178.574 257.39 76.9114 GPRESSURE: 652800 -110.615 -131.84 -169.326 -161.481 52.3029 257.991 -179.658 324.78 73.3775 PRESSAVG: 652800 21.0141 -29.7848 6.27726 -29.7848 -34.3191 -26.5294 6.27734 -26.5294 6.23425 GPRESSAVG: 652800 20.4334 -30.5809 4.18495 -30.1836 -33.6976 -27.5824 6.17095 -25.6899 5.53206 TIMING: 652800 CPU: 2062.96, 0.00321796/step Wall: 2062.96, 0.00321796/step, 3.88587 hours remaining, 234.207031 MB of memory in use. ENERGY: 652800 3997.6601 20465.5986 14498.5060 247.7750 -203358.6316 2586.3258 0.0000 0.0000 52085.7022 -109477.0638 299.3372 -161562.7661 -109114.4883 298.8052 -14.1430 5.0217 761055.1617 -2.3569 -2.5774 PRESSURE: 653000 267.832 40.8776 95.5276 40.8778 155.676 -19.9653 95.5277 -19.9654 -116.699 GPRESSURE: 653000 270.847 25.8901 124.456 48.9895 220.904 -16.186 63.795 -74.6599 -94.644 PRESSAVG: 653000 -34.4274 -11.9793 29.7546 -11.9793 39.9392 2.50246 29.7546 2.50246 -0.584595 GPRESSAVG: 653000 -34.2147 -13.6966 30.9366 -12.2249 39.8269 3.42092 30.7026 3.49385 -1.1846 TIMING: 653000 CPU: 2063.6, 0.00318586/step Wall: 2063.6, 0.00318586/step, 3.84692 hours remaining, 234.207031 MB of memory in use. ENERGY: 653000 4048.1398 20371.5799 14440.8557 245.3292 -203638.8002 2917.3761 0.0000 0.0000 52156.7233 -109458.7963 299.7454 -161615.5195 -109095.9785 299.2175 102.2698 132.3691 760226.0960 1.6424 1.4759 PRESSURE: 653200 1.11115 -50.1806 -223.87 -50.1804 -322.084 93.8282 -223.87 93.828 114.182 GPRESSURE: 653200 -35.8802 1.61464 -169.167 -45.8917 -199.648 68.575 -213.052 71.5819 98.4104 PRESSAVG: 653200 -9.82558 24.122 -18.3783 24.122 -13.5436 -6.71737 -18.3783 -6.7174 9.82033 GPRESSAVG: 653200 -9.56911 26.7308 -17.0985 23.2035 -15.1308 -6.89678 -18.4927 -8.84073 11.4214 TIMING: 653200 CPU: 2064.23, 0.00316381/step Wall: 2064.23, 0.00316381/step, 3.82013 hours remaining, 234.207031 MB of memory in use. ENERGY: 653200 3972.2267 20638.0517 14506.5951 254.6398 -203373.5375 2699.9170 0.0000 0.0000 52046.8698 -109255.2375 299.1141 -161302.1072 -108895.5865 299.1201 -68.9302 -45.7059 761243.0695 -4.5163 -4.4262 PRESSURE: 653400 288.714 -142.031 -315.604 -142.03 2.51433 -173.775 -315.604 -173.776 273.212 GPRESSURE: 653400 242.727 -44.0625 -298.857 -134.242 111.768 -189.368 -178.334 -37.3254 306.454 PRESSAVG: 653400 -7.51201 26.1187 -19.6783 26.1187 17.0014 22.0008 -19.6783 22.0007 5.36631 GPRESSAVG: 653400 -8.47319 24.1966 -21.4034 25.819 18.8059 22.7501 -18.9727 23.7165 4.72251 TIMING: 653400 CPU: 2064.87, 0.00317835/step Wall: 2064.87, 0.00317835/step, 3.83751 hours remaining, 234.207031 MB of memory in use. ENERGY: 653400 3975.6620 20479.0466 14537.5637 274.8676 -203919.0779 3049.7410 0.0000 0.0000 52189.2427 -109412.9543 299.9323 -161602.1970 -109051.4998 298.8615 188.1466 220.3165 761715.2500 4.9519 5.0184 PRESSURE: 653600 -143.152 -28.576 -74.0547 -28.5766 402.487 -367.744 -74.0549 -367.745 -26.923 GPRESSURE: 653600 -144.58 70.4176 -81.6556 19.2792 492.853 -360.564 -280.116 -310.407 -37.5332 PRESSAVG: 653600 5.95338 40.6073 2.78931 40.6072 -6.06246 -10.3632 2.78929 -10.3632 -26.6502 GPRESSAVG: 653600 6.01371 40.2665 3.59273 42.0366 -6.38795 -10.3063 3.18285 -9.35922 -26.769 TIMING: 653600 CPU: 2065.51, 0.00319133/step Wall: 2065.51, 0.00319133/step, 3.853 hours remaining, 234.207031 MB of memory in use. ENERGY: 653600 4090.8669 20439.7771 14514.4928 239.7227 -203790.3220 3105.4379 0.0000 0.0000 51966.4538 -109433.5708 298.6519 -161400.0246 -109074.5939 298.9407 77.4707 103.5799 763018.9746 -8.9197 -9.0477 PRESSURE: 653800 -237.352 83.8369 42.6057 83.8367 -262.062 -163.9 42.6062 -163.9 -237.568 GPRESSURE: 653800 -203.841 142.096 -97.0566 45.6449 -228.983 -178.188 94.7494 -65.7846 -250.931 PRESSAVG: 653800 2.18668 51.4644 13.3798 51.4644 -2.59857 -90.7927 13.3798 -90.7928 -9.41062 GPRESSAVG: 653800 3.58001 52.9618 11.9965 48.5555 -3.29438 -91.1152 15.181 -92.0343 -9.42974 TIMING: 653800 CPU: 2066.14, 0.00316267/step Wall: 2066.14, 0.00316267/step, 3.81822 hours remaining, 234.207031 MB of memory in use. ENERGY: 653800 3991.7382 20490.4366 14420.6821 252.3971 -202974.1179 2416.8266 0.0000 0.0000 52152.1258 -109249.9115 299.7190 -161402.0374 -108881.9888 299.2229 -245.6606 -227.9182 763870.5328 -3.2742 -3.0480 PRESSURE: 654000 -288.469 -4.3292 139.891 -4.3298 -499.783 15.8433 139.89 15.8434 -125.909 GPRESSURE: 654000 -297.072 -86.3363 143.339 169.053 -392.909 46.6163 107.087 -31.5281 -141.499 PRESSAVG: 654000 -11.6193 17.0432 -2.2471 17.0432 54.3341 21.3547 -2.24709 21.3547 -9.30478 GPRESSAVG: 654000 -13.4986 14.9572 0.618983 18.3426 55.7397 22.0125 -6.35949 21.1646 -9.36417 TIMING: 654000 CPU: 2066.77, 0.00315967/step Wall: 2066.77, 0.00315967/step, 3.81442 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: 654000 4003.7843 20505.1107 14471.3394 253.9633 -202964.6540 2646.6867 0.0000 0.0000 51962.5411 -109121.2284 298.6294 -161083.7695 -108759.5300 299.5365 -304.7201 -277.1600 762047.3152 11.1367 10.9590 PRESSURE: 654200 241.373 148.994 -130.111 148.995 -250.176 -169.683 -130.111 -169.684 -201.719 GPRESSURE: 654200 282.427 77.0584 -130.655 115.673 -218.227 -196.227 -21.7906 -275.703 -175.556 PRESSAVG: 654200 15.332 14.379 45.4156 14.379 14.0121 -31.9008 45.4156 -31.9008 2.08132 GPRESSAVG: 654200 14.5704 14.2567 43.9124 15.0124 14.2239 -32.819 47.7624 -31.8303 2.49353 TIMING: 654200 CPU: 2067.4, 0.00315864/step Wall: 2067.4, 0.00315864/step, 3.81301 hours remaining, 234.207031 MB of memory in use. ENERGY: 654200 4063.5105 20295.3997 14485.5649 235.0321 -203014.5678 2601.7792 0.0000 0.0000 52125.3724 -109207.9091 299.5652 -161333.2815 -108836.7985 299.6686 -70.1740 -37.1188 762652.8539 10.4751 10.4293 PRESSURE: 654400 -82.7881 27.6617 261.672 27.6624 -554.079 -120.067 261.672 -120.068 -229.405 GPRESSURE: 654400 -90.7812 -39.6352 257.346 38.4779 -438.713 -186.364 158.227 -71.6286 -251.402 PRESSAVG: 654400 17.8507 53.313 -2.96298 53.313 -65.8987 9.95044 -2.96307 9.95044 -5.0137 GPRESSAVG: 654400 17.9371 56.0913 -1.46906 51.623 -66.4471 10.9137 -4.51238 8.2567 -4.83226 TIMING: 654400 CPU: 2068.03, 0.0031622/step Wall: 2068.03, 0.0031622/step, 3.81713 hours remaining, 234.207031 MB of memory in use. ENERGY: 654400 4028.5082 20458.1112 14521.3390 238.8708 -203194.1032 2482.3557 0.0000 0.0000 52275.7594 -109189.1589 300.4295 -161464.9183 -108821.4999 299.4304 -288.7576 -260.2986 763848.4992 -17.6872 -17.7807 PRESSURE: 654600 -23.6218 -123.297 -230.893 -123.296 -388.825 -131.564 -230.894 -131.564 243.065 GPRESSURE: 654600 -19.6841 -137.348 -223.041 -48.3342 -263.351 -208.995 -166.447 -36.5043 167.133 PRESSAVG: 654600 46.1805 34.816 30.7682 34.816 -26.4702 -0.663002 30.7681 -0.662959 10.6355 GPRESSAVG: 654600 46.8714 33.2206 28.1521 36.2856 -27.4329 -2.0243 31.398 2.00443 10.9682 TIMING: 654600 CPU: 2068.67, 0.003156/step Wall: 2068.67, 0.003156/step, 3.80946 hours remaining, 234.207031 MB of memory in use. ENERGY: 654600 4073.6051 20465.2312 14532.0706 234.4874 -202788.8860 2297.9361 0.0000 0.0000 52015.8679 -109169.6876 298.9359 -161185.5555 -108804.6288 299.5488 -56.4605 -38.6343 762265.7720 10.1153 10.1356 PRESSURE: 654800 33.0355 48.9701 0.17687 48.9703 -95.2945 51.3402 0.177268 51.3414 61.444 GPRESSURE: 654800 75.38 73.2179 9.91933 13.1954 -106.92 121.377 28.6251 -42.3783 109.964 PRESSAVG: 654800 68.6116 50.6503 67.3848 50.6503 -47.3403 -22.845 67.3847 -22.845 5.00115 GPRESSAVG: 654800 67.3425 51.7147 69.7555 50.3903 -47.2031 -23.7731 66.7963 -23.9972 6.35558 TIMING: 654800 CPU: 2069.29, 0.00313411/step Wall: 2069.29, 0.00313411/step, 3.78287 hours remaining, 234.207031 MB of memory in use. ENERGY: 654800 4010.9178 20544.2176 14464.2270 272.8772 -203101.1142 2528.7613 0.0000 0.0000 51908.5600 -109371.5535 298.3192 -161280.1135 -109015.0954 299.5497 -0.2716 26.1411 761168.7975 8.7575 8.8317 PRESSURE: 655000 187.056 26.979 190.886 26.9783 -80.956 -102.258 190.885 -102.258 -129.61 GPRESSURE: 655000 224.055 9.82406 98.9073 38.9782 -84.6934 -158.765 235.542 -49.8316 -82.4495 PRESSAVG: 655000 59.6192 -1.0312 45.9179 -1.03113 -60.6977 -42.9063 45.9179 -42.9063 -10.6113 GPRESSAVG: 655000 60.1792 -2.69154 43.5554 0.0767186 -60.1141 -43.2512 47.7068 -42.4688 -11.761 TIMING: 655000 CPU: 2069.93, 0.00317766/step Wall: 2069.93, 0.00317766/step, 3.83525 hours remaining, 234.207031 MB of memory in use. ENERGY: 655000 3980.4917 20640.0071 14420.6451 269.1568 -202872.8802 2518.2977 0.0000 0.0000 51906.7763 -109137.5055 298.3090 -161044.2818 -108781.7450 299.1543 -7.8368 18.9706 761617.9885 -3.8966 -3.8986 PRESSURE: 655200 -227.226 -138.213 -73.8284 -138.213 -75.2605 85.8178 -73.8276 85.8183 211.918 GPRESSURE: 655200 -221.955 -111.546 -93.494 -147.343 -24.5173 153.817 -180.898 137.834 230.783 PRESSAVG: 655200 55.8555 -4.38083 -47.5882 -4.38084 -39.5675 15.9912 -47.5882 15.9912 -10.5123 GPRESSAVG: 655200 55.9605 -1.86089 -46.8825 -5.82017 -39.4472 16.5796 -48.6447 17.6234 -10.4239 TIMING: 655200 CPU: 2070.56, 0.00315813/step Wall: 2070.56, 0.00315813/step, 3.81151 hours remaining, 234.207031 MB of memory in use. ENERGY: 655200 4000.4229 20400.7410 14442.5805 243.9316 -202903.8320 2490.6054 0.0000 0.0000 52078.1429 -109247.4077 299.2938 -161325.5506 -108876.2842 299.0393 -30.1895 -5.2299 761827.8587 1.9252 2.0298 PRESSURE: 655400 28.9479 45.895 -49.9874 45.8951 77.2886 -7.90142 -49.9879 -7.90319 174.76 GPRESSURE: 655400 11.1762 -26.1575 -82.6849 -0.744526 185.222 17.8699 -112.769 -91.4979 164.269 PRESSAVG: 655400 92.2432 14.7197 -36.3334 14.7197 -66.489 52.1129 -36.3334 52.1128 -12.1858 GPRESSAVG: 655400 92.4892 12.5309 -36.0073 15.9009 -66.9329 52.6354 -37.9305 49.8712 -12.1915 TIMING: 655400 CPU: 2071.19, 0.00316549/step Wall: 2071.19, 0.00316549/step, 3.82022 hours remaining, 234.207031 MB of memory in use. ENERGY: 655400 3951.2181 20508.6099 14502.8367 241.5864 -203306.9481 2600.4242 0.0000 0.0000 52189.8924 -109312.3804 299.9360 -161502.2728 -108963.6436 299.2633 93.6656 120.2226 762341.5837 4.5228 4.4549 PRESSURE: 655600 390.355 154.451 32.6338 154.452 128.749 -193.133 32.635 -193.133 262.79 GPRESSURE: 655600 299.34 66.4352 122.884 55.6068 213.62 -245.73 138.571 -283.833 325.975 PRESSAVG: 655600 38.4573 3.26211 -1.48338 3.26207 -73.5989 -5.34951 -1.48333 -5.34953 14.316 GPRESSAVG: 655600 38.9057 4.21509 -2.15743 2.54756 -72.5507 -4.82402 1.32096 -3.13293 13.0752 TIMING: 655600 CPU: 2071.82, 0.00315203/step Wall: 2071.82, 0.00315203/step, 3.8038 hours remaining, 234.207031 MB of memory in use. ENERGY: 655600 3956.1938 20457.5250 14463.4015 239.9316 -203606.0896 3015.9165 0.0000 0.0000 52204.7979 -109268.3233 300.0217 -161473.1212 -108914.8513 299.2457 260.6313 279.6447 761065.8204 -6.9419 -6.8566 PRESSURE: 655800 -178.115 162.457 -175.611 162.457 225.161 19.7858 -175.611 19.785 84.3569 GPRESSURE: 655800 -147.088 188.561 -155.831 130.792 212.832 -51.6111 -175.935 49.7734 153.087 PRESSAVG: 655800 41.7731 19.2585 -33.2977 19.2585 -43.2465 -15.4805 -33.2976 -15.4806 29.5911 GPRESSAVG: 655800 42.4347 20.4885 -32.9989 21.7456 -44.7383 -15.5462 -33.8906 -18.0608 30.8475 TIMING: 655800 CPU: 2072.45, 0.00315436/step Wall: 2072.45, 0.00315436/step, 3.80643 hours remaining, 234.207031 MB of memory in use. ENERGY: 655800 3930.3973 20506.2438 14458.3180 237.6269 -203310.1880 2836.0882 0.0000 0.0000 52259.4159 -109082.0979 300.3356 -161341.5138 -108722.1648 300.3769 43.8008 72.9438 762758.4291 9.3726 9.5147 PRESSURE: 656000 -69.1769 -18.0071 181.487 -18.0074 -720.777 -250.638 181.486 -250.638 164.715 GPRESSURE: 656000 -84.3341 82.7722 158.412 -41.9484 -569.655 -233.697 212.647 -109.78 116.371 PRESSAVG: 656000 74.2328 22.6689 -38.6422 22.6689 -60.2513 -66.1388 -38.6422 -66.1388 15.1188 GPRESSAVG: 656000 73.1129 21.4857 -39.1097 20.5894 -59.1207 -64.3641 -40.0378 -64.2272 15.0935 TIMING: 656000 CPU: 2073.08, 0.00314028/step Wall: 2073.08, 0.00314028/step, 3.78928 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: 656000 3951.1048 20529.0502 14485.5248 240.3000 -202956.7851 2416.8906 0.0000 0.0000 51989.9464 -109343.9682 298.7869 -161333.9146 -108979.3651 299.5955 -208.4133 -179.2062 763012.2612 9.7001 9.6952 PRESSURE: 656200 414.62 -10.9559 -59.2445 -10.9565 60.1171 84.2672 -59.2446 84.2668 -321.209 GPRESSURE: 656200 403.103 4.55243 -75.7876 -92.6511 190.654 79.438 -4.59551 -13.8608 -383.685 PRESSAVG: 656200 42.8568 10.4386 -37.9697 10.4387 -25.6144 10.2986 -37.9698 10.2985 9.30922 GPRESSAVG: 656200 41.9194 9.20296 -37.8487 11.0435 -25.7966 9.57698 -36.6876 6.15987 10.2252 TIMING: 656200 CPU: 2073.71, 0.00315161/step Wall: 2073.71, 0.00315161/step, 3.80276 hours remaining, 234.207031 MB of memory in use. ENERGY: 656200 3958.8998 20607.7366 14417.7666 253.2232 -203370.5752 2683.6582 0.0000 0.0000 52020.0742 -109429.2166 298.9601 -161449.2908 -109066.6052 299.2923 51.1760 70.0237 762490.9912 8.8505 8.7827 LDB: ============= START OF LOAD BALANCING ============== 2086.24 LDB: ============== END OF LOAD BALANCING =============== 2086.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2086.25 LDB: ============= START OF LOAD BALANCING ============== 2086.56 LDB: Largest compute 7026 load 0.030053 is 15.4% of average load 0.195272 LDB: Average compute 0.004402 is 2.3% of average load 0.195272 LDB: TIME 2086.56 LOAD: AVG 0.195272 MAX 0.215785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.539 MB LDB: TIME 2086.56 LOAD: AVG 0.195272 MAX 0.215785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.617 MB LDB: TIME 2086.56 LOAD: AVG 0.195272 MAX 0.215785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.617 MB LDB: ============== END OF LOAD BALANCING =============== 2086.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2086.57 PRESSURE: 656400 262.114 131.337 -35.6938 131.336 135.68 -314.2 -35.6925 -314.2 306.746 GPRESSURE: 656400 314.855 113.41 16.9438 76.6548 151.378 -336.294 48.7339 -329.373 319.734 PRESSAVG: 656400 54.9323 83.5898 -8.99996 83.5898 -50.7812 5.92022 -9 5.92021 16.4967 GPRESSAVG: 656400 55.8894 85.1292 -8.09928 82.2794 -51.2663 6.32627 -10.2568 9.61261 15.7242 TIMING: 656400 CPU: 2074.35, 0.00320351/step Wall: 2074.35, 0.00320351/step, 3.86521 hours remaining, 232.781250 MB of memory in use. ENERGY: 656400 4032.4392 20419.9219 14513.0851 248.9346 -203403.7344 2806.9036 0.0000 0.0000 52305.3390 -109077.1110 300.5995 -161382.4500 -108715.1255 299.8368 234.8466 261.9893 762583.3241 6.8826 6.7824 PRESSURE: 656600 -155.899 -86.9952 131.431 -86.9947 -8.11287 -111.864 131.432 -111.864 -153.648 GPRESSURE: 656600 1.83767 -23.0461 112.702 -208.613 -54.1831 -128.616 25.885 -175.15 -169.361 PRESSAVG: 656600 76.5201 18.123 -5.69147 18.123 -53.0464 -13.9202 -5.69142 -13.92 -9.83046 GPRESSAVG: 656600 77.1413 16.974 -6.2777 17.5028 -54.6282 -14.8645 -3.44744 -14.0982 -8.81347 TIMING: 656600 CPU: 2074.98, 0.00314067/step Wall: 2074.98, 0.00314067/step, 3.78921 hours remaining, 232.781250 MB of memory in use. ENERGY: 656600 3974.3145 20611.1301 14474.6775 245.4566 -203124.1077 2545.8907 0.0000 0.0000 52199.8916 -109072.7466 299.9935 -161272.6382 -108694.9864 299.6607 -105.8863 -73.9023 761858.1151 4.5477 4.5665 PRESSURE: 656800 -175.531 -21.3861 -164.825 -21.3863 -120.309 287.216 -164.825 287.215 267.091 GPRESSURE: 656800 -61.1643 -64.7352 -146.292 -114.337 -38.0481 286.471 -101.001 141.998 151.763 PRESSAVG: 656800 18.7841 -39.8555 -5.39201 -39.8555 22.1989 -18.4545 -5.39207 -18.4545 27.5441 GPRESSAVG: 656800 18.9488 -39.3762 -6.14595 -40.4571 23.9611 -19.8462 -7.54834 -17.7541 25.3195 TIMING: 656800 CPU: 2075.61, 0.00314872/step Wall: 2075.61, 0.00314872/step, 3.79875 hours remaining, 232.781250 MB of memory in use. ENERGY: 656800 4028.2274 20496.6415 14490.5642 255.6460 -202959.6432 2446.9776 0.0000 0.0000 52000.3029 -109241.2836 298.8465 -161241.5865 -108873.7563 299.4733 -9.5834 17.5170 762449.1780 22.8424 22.7431 PRESSURE: 657000 54.6032 50.5882 4.11886 50.5884 -125.401 -80.6599 4.11952 -80.6596 303.002 GPRESSURE: 657000 30.1069 160.574 21.1281 75.4244 -118.936 -93.0422 -98.3235 -53.7774 415.715 PRESSAVG: 657000 20.4302 2.23911 -56.8456 2.23915 -1.85356 52.9446 -56.8455 52.9446 -21.042 GPRESSAVG: 657000 18.5305 5.28782 -55.691 1.8282 -1.92397 54.7144 -55.7798 52.5596 -18.9772 TIMING: 657000 CPU: 2076.24, 0.00315102/step Wall: 2076.24, 0.00315102/step, 3.80136 hours remaining, 232.781250 MB of memory in use. ENERGY: 657000 3948.5397 20553.5281 14472.8930 243.2780 -203522.6466 2944.3384 0.0000 0.0000 52002.7476 -109357.3219 298.8605 -161360.0695 -108992.1793 298.9981 77.4013 108.9619 761743.1124 -0.8218 -0.7902 PRESSURE: 657200 115.76 103.033 116.901 103.034 -17.3312 -185.553 116.901 -185.552 149.917 GPRESSURE: 657200 64.0593 -62.1049 124.657 191.095 108.756 -140.003 40.0308 -218.891 158.593 PRESSAVG: 657200 2.46999 -26.155 16.0748 -26.155 6.73882 -19.2133 16.0748 -19.2134 -15.8159 GPRESSAVG: 657200 3.28497 -31.2933 15.6191 -24.6758 7.16458 -20.242 15.3612 -21.3255 -16.6417 TIMING: 657200 CPU: 2076.87, 0.00315071/step Wall: 2076.87, 0.00315071/step, 3.80081 hours remaining, 232.781250 MB of memory in use. ENERGY: 657200 4010.7065 20432.5276 14448.2722 233.9424 -203528.1540 2743.8069 0.0000 0.0000 52242.3821 -109416.5162 300.2377 -161658.8984 -109045.4124 298.9938 82.7820 110.4694 761933.5496 -2.2024 -2.0640 PRESSURE: 657400 -249.788 1.97206 0.497629 1.97219 -213.986 293.327 0.496931 293.327 -155.396 GPRESSURE: 657400 -262.267 1.60907 -89.4581 15.9585 -125.581 234.88 32.0499 241.355 -146.923 PRESSAVG: 657400 57.0795 0.696886 -2.60953 0.696901 -39.7408 47.1349 -2.60948 47.1349 13.2893 GPRESSAVG: 657400 57.4878 3.25588 -4.9568 -1.07814 -40.8236 47.8319 -1.35069 48.5133 14.0784 TIMING: 657400 CPU: 2077.5, 0.00315076/step Wall: 2077.5, 0.00315076/step, 3.80069 hours remaining, 232.781250 MB of memory in use. ENERGY: 657400 4049.2493 20457.2887 14444.5261 257.6905 -203316.9534 2535.3765 0.0000 0.0000 52174.5334 -109398.2888 299.8478 -161572.8222 -109034.2458 299.1176 -206.3900 -178.2568 762225.3296 10.2094 10.2476 PRESSURE: 657600 -335.302 -93.6667 234.861 -93.6673 -362.531 -207.331 234.86 -207.33 -105.477 GPRESSURE: 657600 -250.543 -150.76 229.906 -24.3862 -367.207 -154.31 68.7778 -223.983 -113.967 PRESSAVG: 657600 -9.42919 4.48386 -35.2639 4.48391 -30.1156 37.4371 -35.2639 37.4371 0.394412 GPRESSAVG: 657600 -9.44569 2.33563 -33.808 4.77114 -29.4589 38.1999 -35.9352 36.4591 -0.507798 TIMING: 657600 CPU: 2078.13, 0.00315157/step Wall: 2078.13, 0.00315157/step, 3.80149 hours remaining, 232.781250 MB of memory in use. ENERGY: 657600 3947.0292 20516.4256 14494.6514 246.8837 -203167.9632 2606.1974 0.0000 0.0000 52100.5582 -109256.2177 299.4226 -161356.7759 -108887.1724 299.1946 -267.7698 -243.9056 763756.3527 -13.0501 -13.1375 PRESSURE: 657800 -254.038 3.17761 -131.415 3.17788 -51.3968 247.038 -131.415 247.039 305.002 GPRESSURE: 657800 -259.645 -137.409 -116.65 -11.0095 -39.5796 253.252 2.72731 311.402 387.921 PRESSAVG: 657800 -40.326 41.2826 -67.2104 41.2826 3.89704 18.3858 -67.2103 18.3858 -14.7147 GPRESSAVG: 657800 -39.1716 42.4976 -66.8251 44.0532 2.77411 18.4915 -67.0007 20.0863 -14.3048 TIMING: 657800 CPU: 2078.76, 0.00315399/step Wall: 2078.76, 0.00315399/step, 3.80424 hours remaining, 232.781250 MB of memory in use. ENERGY: 657800 4003.7943 20550.7934 14532.4745 256.7652 -203359.7898 2842.8746 0.0000 0.0000 51844.6006 -109328.4872 297.9516 -161173.0878 -108969.2864 299.1521 -0.1442 29.5654 762599.6703 -17.0479 -16.9008 PRESSURE: 658000 268.455 -40.6829 -59.1802 -40.6838 177.933 -112.533 -59.1798 -112.534 -37.9488 GPRESSURE: 658000 278.039 103.728 -56.1705 81.3969 206.771 -147.542 -139.504 -97.8644 14.6219 PRESSAVG: 658000 30.295 -0.351525 -40.2172 -0.351579 -27.7355 4.06684 -40.2172 4.0669 14.5556 GPRESSAVG: 658000 30.187 0.471793 -40.7946 -2.16765 -27.0298 2.63192 -42.369 4.15128 14.5268 TIMING: 658000 CPU: 2079.39, 0.00313753/step Wall: 2079.39, 0.00313753/step, 3.78421 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: 658000 3959.3152 20590.9251 14548.1038 238.4119 -203535.3734 2757.4671 0.0000 0.0000 52133.5458 -109307.6044 299.6122 -161441.1502 -108957.2842 299.2388 136.1464 166.4773 762169.1755 5.7051 5.8947 PRESSURE: 658200 -67.963 -40.1575 -15.0237 -40.1574 31.897 93.7901 -15.024 93.7894 -202.251 GPRESSURE: 658200 -135.141 -114.873 -72.9279 -59.5162 137.607 105.336 29.7681 -12.7413 -172.423 PRESSAVG: 658200 31.1706 -34.435 -48.9308 -34.435 5.19354 -37.722 -48.9308 -37.722 8.53995 GPRESSAVG: 658200 30.8045 -35.0629 -49.621 -32.7346 5.33423 -35.3867 -47.3888 -39.8043 8.98898 TIMING: 658200 CPU: 2080.02, 0.00315073/step Wall: 2080.02, 0.00315073/step, 3.79996 hours remaining, 232.781250 MB of memory in use. ENERGY: 658200 3977.2290 20438.1575 14484.6089 238.5943 -203141.4273 2565.8555 0.0000 0.0000 52013.4654 -109423.5166 298.9221 -161436.9820 -109051.0476 299.0058 -79.4389 -56.6524 761415.2647 14.9680 15.0426 PRESSURE: 658400 -182.883 -103.681 121.17 -103.681 -104.452 171.338 121.171 171.338 -366.027 GPRESSURE: 658400 -157.053 -51.8383 118.845 -73.7759 -94.3178 179.084 116.986 78.726 -311.79 PRESSAVG: 658400 55.8337 -57.0641 -38.5589 -57.0641 -34.9112 -14.2562 -38.5589 -14.2563 -16.2637 GPRESSAVG: 658400 54.8012 -57.1602 -38.6536 -58.6102 -33.6652 -15.9822 -39.473 -12.7469 -15.9131 TIMING: 658400 CPU: 2080.65, 0.00313982/step Wall: 2080.65, 0.00313982/step, 3.78662 hours remaining, 232.781250 MB of memory in use. ENERGY: 658400 3999.4941 20497.8531 14453.3793 245.8391 -203119.1832 2564.1740 0.0000 0.0000 52008.5787 -109349.8649 298.8940 -161358.4436 -108993.7895 299.1851 -217.7874 -187.7202 763673.8186 1.5529 1.7409 PRESSURE: 658600 2.94784 48.1959 -107.747 48.1961 -139.291 -139.075 -107.746 -139.075 -366.669 GPRESSURE: 658600 107.408 20.0712 -55.8604 134.176 -147.581 -88.763 -120.059 -118.597 -383.958 PRESSAVG: 658600 -16.4234 -13.9816 -29.8764 -13.9816 51.4934 24.0239 -29.8765 24.0239 -3.62057 GPRESSAVG: 658600 -14.596 -15.6703 -28.3634 -11.7765 50.2228 23.8602 -27.6532 21.3612 -4.08215 TIMING: 658600 CPU: 2081.28, 0.00315918/step Wall: 2081.28, 0.00315918/step, 3.8098 hours remaining, 232.781250 MB of memory in use. ENERGY: 658600 3983.5863 20497.7870 14427.4900 251.5161 -203139.8864 2595.8423 0.0000 0.0000 52132.4860 -109251.1786 299.6061 -161383.6646 -108892.0248 299.4194 -167.6706 -141.3769 762244.0310 10.4832 10.5149 PRESSURE: 658800 -333.968 -27.732 -163.858 -27.7312 217.663 69.1312 -163.857 69.1301 -217.579 GPRESSURE: 658800 -321.639 28.4148 -138.633 -64.2003 243.471 -10.184 -128.426 13.8572 -182.594 PRESSAVG: 658800 -36.5903 -16.9169 13.5111 -16.9168 25.6123 45.484 13.5111 45.4841 15.3538 GPRESSAVG: 658800 -37.7636 -16.5276 12.6831 -18.1129 27.884 45.5365 14.7923 47.4987 14.4543 TIMING: 658800 CPU: 2081.92, 0.00317634/step Wall: 2081.92, 0.00317634/step, 3.83031 hours remaining, 232.781250 MB of memory in use. ENERGY: 658800 3924.5664 20555.8532 14618.3952 232.5920 -203343.6571 2717.8889 0.0000 0.0000 51890.7933 -109403.5679 298.2171 -161294.3613 -109054.1605 299.3285 -111.2950 -86.9206 762787.7079 1.4586 1.5249 PRESSURE: 659000 -346.021 -93.5698 -1.27722 -93.5697 29.0638 -303.97 -1.27837 -303.969 -278.087 GPRESSURE: 659000 -254.267 17.4312 11.9133 -126.455 66.1904 -277.417 -73.7107 -362.437 -318.06 PRESSAVG: 659000 -50.7004 11.538 -44.5075 11.538 35.2752 -44.2146 -44.5074 -44.2146 -18.9746 GPRESSAVG: 659000 -49.2729 11.4734 -42.0849 10.45 33.2845 -44.3204 -48.2411 -44.5652 -19.3798 TIMING: 659000 CPU: 2082.54, 0.00314054/step Wall: 2082.54, 0.00314054/step, 3.78696 hours remaining, 232.781250 MB of memory in use. ENERGY: 659000 4048.4604 20469.7072 14497.1596 246.2587 -203142.5454 2796.5607 0.0000 0.0000 51860.6381 -109223.7607 298.0438 -161084.3988 -108862.4099 298.9037 -198.3483 -168.7121 763925.7574 -11.4666 -11.7894 PRESSURE: 659200 136.845 45.7429 103.83 45.7435 -76.2435 10.425 103.831 10.4252 -252.034 GPRESSURE: 659200 160.264 -37.8952 139.53 61.0495 -87.9478 26.5082 162.363 121.391 -190.345 PRESSAVG: 659200 20.8145 4.9365 6.42342 4.9365 1.41225 -46.7987 6.42341 -46.7987 9.21299 GPRESSAVG: 659200 20.0912 4.90958 5.48956 4.24931 1.12191 -45.3866 7.27635 -46.4593 9.63258 TIMING: 659200 CPU: 2083.17, 0.0031365/step Wall: 2083.17, 0.0031365/step, 3.78192 hours remaining, 232.781250 MB of memory in use. ENERGY: 659200 3983.7142 20559.2007 14549.9682 255.3621 -203142.5623 2748.2062 0.0000 0.0000 51964.6913 -109081.4195 298.6418 -161046.1108 -108729.7925 299.6430 -63.8110 -39.3429 763647.8970 10.4799 10.2819 PRESSURE: 659400 -285.984 233.613 -64.8556 233.612 132.622 -80.1205 -64.8556 -80.1203 103.496 GPRESSURE: 659400 -240.703 248.984 -93.9186 135.433 178.073 -28.8381 -70.6251 -82.6117 81.4227 PRESSAVG: 659400 3.42056 -2.47049 39.0972 -2.47047 19.003 -24.8832 39.0971 -24.8832 -3.57272 GPRESSAVG: 659400 2.468 -0.720729 37.4133 -2.19332 19.7327 -25.6276 39.3922 -23.1952 -3.55497 TIMING: 659400 CPU: 2083.8, 0.00313391/step Wall: 2083.8, 0.00313391/step, 3.77862 hours remaining, 232.781250 MB of memory in use. ENERGY: 659400 3968.0012 20552.2166 14480.6591 258.4151 -203201.1802 2583.0876 0.0000 0.0000 52291.7718 -109067.0288 300.5215 -161358.8006 -108704.8065 299.6311 -16.6217 6.2645 763330.7329 6.2836 6.2152 PRESSURE: 659600 -99.8391 -78.3389 46.5269 -78.3395 -38.9014 258.672 46.528 258.673 -163.614 GPRESSURE: 659600 -40.3723 -181.357 64.8564 -70.2697 -19.9917 206.09 34.2483 221.664 -142.982 PRESSAVG: 659600 8.17882 33.3645 59.3275 33.3645 8.51217 -57.9169 59.3274 -57.9169 -0.92487 GPRESSAVG: 659600 9.63823 32.4408 61.0584 34.4044 8.40075 -57.4088 60.1297 -58.964 -1.4032 TIMING: 659600 CPU: 2084.43, 0.00315345/step Wall: 2084.43, 0.00315345/step, 3.80201 hours remaining, 232.781250 MB of memory in use. ENERGY: 659600 3982.6240 20557.5189 14546.6708 238.3900 -202987.6653 2561.5881 0.0000 0.0000 52039.3105 -109061.5630 299.0706 -161100.8736 -108700.1827 299.5786 -100.7848 -67.7821 764037.1219 5.2554 5.5453 PRESSURE: 659800 -170.938 222.057 30.6799 222.057 1.28845 -107.271 30.6796 -107.27 126.672 GPRESSURE: 659800 -95.2349 222.307 -67.9088 106.723 23.0004 -100.733 146.586 -227.322 108.942 PRESSAVG: 659800 35.0634 -10.6149 37.3195 -10.6149 -60.8442 29.7495 37.3195 29.7495 13.6355 GPRESSAVG: 659800 35.3175 -11.2763 37.2868 -12.8838 -61.8275 28.4113 36.5153 31.033 14.4949 TIMING: 659800 CPU: 2085.06, 0.00315222/step Wall: 2085.06, 0.00315222/step, 3.80036 hours remaining, 232.781250 MB of memory in use. ENERGY: 659800 3997.4165 20452.1199 14468.4239 238.9648 -202535.6598 2320.1202 0.0000 0.0000 51987.5148 -109071.0997 298.7730 -161058.6145 -108705.5662 299.4590 -14.3259 12.2357 765505.5828 -4.0484 -4.0050 PRESSURE: 660000 -189.542 -21.0532 -145.76 -21.0527 -178.782 108.425 -145.76 108.426 -61.708 GPRESSURE: 660000 -287.417 127.304 -120.469 5.85785 -81.4652 118.107 -167.83 18.4697 10.8391 PRESSAVG: 660000 -27.9338 13.8533 -18.0807 13.8533 21.9624 -45.2162 -18.0808 -45.2162 7.90269 GPRESSAVG: 660000 -29.6016 14.4617 -18.8004 17.1252 23.3269 -45.458 -18.6049 -46.9767 8.21576 TIMING: 660000 CPU: 2085.69, 0.00316298/step Wall: 2085.69, 0.00316298/step, 3.81315 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: 660000 3978.4737 20433.0423 14381.6033 248.7397 -202945.8163 2407.2506 0.0000 0.0000 52102.4435 -109394.2632 299.4335 -161496.7067 -109029.7173 299.0392 -143.3440 -119.3478 766195.4182 0.6438 0.6470 PRESSURE: 660200 313.937 49.4636 25.8752 49.4624 -107.055 -93.3114 25.875 -93.3123 -316.508 GPRESSURE: 660200 316.204 9.78698 9.63368 -31.2302 -41.9146 -51.309 50.6094 -116.893 -285.789 PRESSAVG: 660200 20.4279 1.04002 -21.0736 1.04002 -16.7449 -42.4552 -21.0736 -42.4551 22.8543 GPRESSAVG: 660200 21.9124 1.31055 -20.2095 -0.908219 -18.1394 -42.4968 -21.7803 -41.0163 22.6371 TIMING: 660200 CPU: 2086.32, 0.00316664/step Wall: 2086.32, 0.00316664/step, 3.81739 hours remaining, 232.781250 MB of memory in use. ENERGY: 660200 3925.6594 20472.4377 14406.2236 251.5821 -203245.0220 2878.4559 0.0000 0.0000 51918.5286 -109392.1348 298.3765 -161310.6634 -109020.8983 298.8018 -36.5422 -3.8334 763154.2178 8.8458 8.8034 LDB: ============= START OF LOAD BALANCING ============== 2098.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2098.86 LDB: =============== DONE WITH MIGRATION ================ 2098.86 LDB: ============= START OF LOAD BALANCING ============== 2099.18 LDB: Largest compute 7060 load 0.030224 is 15.5% of average load 0.195213 LDB: Average compute 0.004408 is 2.3% of average load 0.195213 LDB: TIME 2099.19 LOAD: AVG 0.195213 MAX 0.211673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.695 MB LDB: TIME 2099.19 LOAD: AVG 0.195213 MAX 0.211673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: TIME 2099.19 LOAD: AVG 0.195213 MAX 0.211673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.734 MB LDB: ============== END OF LOAD BALANCING =============== 2099.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2099.19 PRESSURE: 660400 -355.001 220.979 168.641 220.98 3.21714 -152.482 168.641 -152.482 -230.407 GPRESSURE: 660400 -257.571 219.398 112.195 235.532 12.8706 -96.2455 38.8338 -200.794 -260.902 PRESSAVG: 660400 -10.3848 3.74948 19.1437 3.74947 -2.39774 -1.28246 19.1436 -1.28252 -13.7815 GPRESSAVG: 660400 -10.8262 4.03331 18.8603 4.39823 -1.58743 -0.732482 18.6698 -2.83995 -13.9559 TIMING: 660400 CPU: 2086.98, 0.0032551/step Wall: 2086.98, 0.0032551/step, 3.92384 hours remaining, 234.148438 MB of memory in use. ENERGY: 660400 3999.7556 20595.6369 14374.4912 212.5366 -202937.7223 2447.8163 0.0000 0.0000 52058.3081 -109249.1776 299.1798 -161307.4857 -108881.2970 299.1096 -194.0636 -168.5341 765044.9441 -8.8547 -8.7898 PRESSURE: 660600 152.139 -56.0073 133.725 -56.0076 -156.371 208.681 133.724 208.681 -87.4766 GPRESSURE: 660600 160.119 -35.0721 155.735 -86.8518 -74.1241 209.937 103.998 185.275 -99.3486 PRESSAVG: 660600 34.0441 15.6809 36.0487 15.6809 11.1992 35.7633 36.0487 35.7633 -11.0123 GPRESSAVG: 660600 35.5758 15.8036 34.5323 14.1904 11.9071 36.8744 38.0791 36.2496 -12.2484 TIMING: 660600 CPU: 2087.61, 0.00316242/step Wall: 2087.61, 0.00316242/step, 3.81195 hours remaining, 234.339844 MB of memory in use. ENERGY: 660600 3949.1190 20602.3997 14368.5830 256.6483 -203408.9715 2992.8546 0.0000 0.0000 52165.3211 -109074.0458 299.7948 -161239.3669 -108702.6776 298.8760 -30.5697 -4.4514 763913.5698 11.4103 11.7448 PRESSURE: 660800 -155.879 -121.263 -42.8372 -121.263 -189.33 71.4906 -42.8371 71.4906 -430.844 GPRESSURE: 660800 -132.896 -125.892 -119.501 -40.7585 -196.856 162.782 69.1941 25.903 -347.551 PRESSAVG: 660800 13.2086 -12.3608 -13.9204 -12.3608 -31.4539 39.8268 -13.9204 39.8268 6.58818 GPRESSAVG: 660800 11.1184 -13.6963 -13.5077 -10.5558 -31.5187 38.9725 -12.2686 38.1409 8.81316 TIMING: 660800 CPU: 2088.24, 0.00314998/step Wall: 2088.24, 0.00314998/step, 3.79678 hours remaining, 234.339844 MB of memory in use. ENERGY: 660800 4071.2743 20607.2962 14436.4483 264.9673 -203314.9868 2685.9784 0.0000 0.0000 52027.1721 -109221.8502 299.0009 -161249.0223 -108854.1841 299.1900 -258.6845 -225.7675 765155.0445 -3.8857 -3.8624 PRESSURE: 661000 5.30413 -19.9338 3.72145 -19.9336 -143.833 -11.0569 3.72184 -11.0568 16.8474 GPRESSURE: 661000 -23.1525 -30.9497 110.157 41.0636 -76.8462 51.9014 -60.5377 -31.4372 59.1254 PRESSAVG: 661000 46.0215 -6.81612 -29.3938 -6.81611 -48.9335 38.5738 -29.3938 38.5738 -0.684409 GPRESSAVG: 661000 46.8321 -5.80898 -27.5945 -6.56053 -48.7391 38.0779 -32.215 41.5491 -1.81975 TIMING: 661000 CPU: 2088.86, 0.00313433/step Wall: 2088.86, 0.00313433/step, 3.77774 hours remaining, 234.542969 MB of memory in use. ENERGY: 661000 3973.5423 20719.7267 14431.9609 271.7925 -203236.7592 2556.4623 0.0000 0.0000 51992.9145 -109290.3600 298.8040 -161283.2745 -108933.7085 299.1716 -40.5606 -13.6244 763943.7638 -1.1988 -1.2422 PRESSURE: 661200 34.9329 189.843 -30.5991 189.843 -166.435 114.914 -30.5991 114.914 -73.5643 GPRESSURE: 661200 95.3991 208.428 -7.04786 189.074 -195.634 88.8499 -40.8883 -34.9744 -17.3064 PRESSAVG: 661200 39.1616 -19.5642 0.525287 -19.5642 -3.90831 27.2628 0.525333 27.2628 -4.83735 GPRESSAVG: 661200 38.544 -21.4421 -1.15613 -18.9772 -4.36002 27.7957 0.351205 26.7151 -4.44276 TIMING: 661200 CPU: 2089.5, 0.00315781/step Wall: 2089.5, 0.00315781/step, 3.80586 hours remaining, 234.542969 MB of memory in use. ENERGY: 661200 3938.9637 20566.2054 14479.1383 256.5421 -203761.0170 2861.4222 0.0000 0.0000 52282.6190 -109376.1263 300.4689 -161658.7454 -109012.7701 299.2731 -68.3554 -39.1803 762399.0228 10.1386 9.9138 PRESSURE: 661400 90.5013 -37.2881 -44.004 -37.2886 -195.741 100.867 -44.0037 100.867 -292.012 GPRESSURE: 661400 119.681 -131.829 -27.0606 -64.1036 -204.304 108.476 -56.1497 132.438 -231.196 PRESSAVG: 661400 51.4685 8.96044 37.8186 8.96046 -46.0939 -41.2178 37.8186 -41.2178 -5.89972 GPRESSAVG: 661400 50.7686 11.428 37.7339 6.66326 -44.974 -41.5038 39.4987 -40.0342 -6.4258 TIMING: 661400 CPU: 2090.13, 0.00316077/step Wall: 2090.13, 0.00316077/step, 3.80925 hours remaining, 234.542969 MB of memory in use. ENERGY: 661400 4019.0113 20616.2956 14546.4891 253.7790 -203319.0251 2864.5006 0.0000 0.0000 51647.6318 -109371.3177 296.8196 -161018.9495 -109013.9972 299.1192 -132.4171 -105.2730 764301.6212 -0.1750 -0.2104 PRESSURE: 661600 38.235 63.2084 -153.949 63.2083 35.5039 -100.89 -153.949 -100.89 -70.3737 GPRESSURE: 661600 96.03 16.3587 -165.278 101.356 68.3506 -64.9417 -207.857 19.7229 -80.8552 PRESSAVG: 661600 35.5244 15.7764 7.52753 15.7764 -39.2051 -8.59511 7.52757 -8.59513 0.661088 GPRESSAVG: 661600 36.7483 15.73 8.62756 17.5466 -39.8243 -9.81537 6.57734 -8.53711 0.378275 TIMING: 661600 CPU: 2090.76, 0.00315308/step Wall: 2090.76, 0.00315308/step, 3.79981 hours remaining, 234.542969 MB of memory in use. ENERGY: 661600 3969.8755 20560.2034 14472.5887 252.0004 -203608.7682 2839.1501 0.0000 0.0000 52152.7041 -109362.2461 299.7223 -161514.9502 -108993.1611 299.4453 1.1218 27.8418 763711.5690 -1.0065 -0.8992 PRESSURE: 661800 148.341 -168.672 -133.865 -168.67 369.09 86.662 -133.865 86.6621 127.514 GPRESSURE: 661800 317.463 -234.077 -76.6366 -45.9121 302.967 184.867 -50.6091 68.624 112.943 PRESSAVG: 661800 2.06806 13.4422 -51.2192 13.4422 -19.2283 9.0756 -51.2192 9.07552 -12.4834 GPRESSAVG: 661800 2.0907 11.272 -50.965 13.0222 -18.3996 11.2758 -52.6001 7.96076 -12.8009 TIMING: 661800 CPU: 2091.39, 0.00315711/step Wall: 2091.39, 0.00315711/step, 3.80449 hours remaining, 234.542969 MB of memory in use. ENERGY: 661800 3988.2646 20568.0487 14503.6748 251.7791 -203643.8700 3019.5816 0.0000 0.0000 51920.7235 -109391.7977 298.3891 -161312.5212 -109032.7514 298.9316 214.9817 244.4574 763417.4218 -9.8812 -9.7033 PRESSURE: 662000 -83.4854 53.132 62.5851 53.132 42.3569 32.9454 62.5843 32.9447 104.383 GPRESSURE: 662000 -87.0386 63.0695 92.1326 -19.434 147.989 -34.4327 24.7106 60.4349 91.1308 PRESSAVG: 662000 26.3981 14.2357 -10.0919 14.2356 -31.8871 6.07894 -10.0919 6.07899 7.13266 GPRESSAVG: 662000 25.9902 16.133 -13.0994 12.6999 -31.2131 4.17362 -5.69483 6.59639 6.89806 TIMING: 662000 CPU: 2092.02, 0.00315116/step Wall: 2092.02, 0.00315116/step, 3.79715 hours remaining, 234.542969 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: 662000 3967.8939 20507.0379 14402.8508 259.4503 -203416.2646 2782.4275 0.0000 0.0000 51944.9543 -109551.6498 298.5284 -161496.6041 -109191.7755 299.0967 21.0849 50.6936 764855.9547 0.5479 0.5584 PRESSURE: 662200 228.155 11.6717 -235.295 11.6722 266.237 210.389 -235.294 210.39 507.206 GPRESSURE: 662200 265.515 -82.7324 -205.745 -67.532 208.24 189.143 -249.646 164.328 609.551 PRESSAVG: 662200 20.9891 0.774666 2.66472 0.774723 -26.6884 10.7839 2.6647 10.7839 2.94188 GPRESSAVG: 662200 22.0805 0.0852137 4.88735 3.59955 -29.0777 10.8929 1.04068 10.6681 4.53963 TIMING: 662200 CPU: 2092.65, 0.00315124/step Wall: 2092.65, 0.00315124/step, 3.79707 hours remaining, 234.542969 MB of memory in use. ENERGY: 662200 3966.6333 20605.8766 14461.0130 246.4637 -203917.9698 3170.4823 0.0000 0.0000 51807.2787 -109660.2223 297.7371 -161467.5010 -109300.4236 298.8101 333.8662 361.1021 761617.9542 -0.9191 -0.8192 PRESSURE: 662400 13.6726 -68.1375 35.1932 -68.1378 -222.405 46.288 35.1933 46.2883 375.965 GPRESSURE: 662400 73.0681 -62.9016 41.0831 106.187 -118.743 93.1697 99.8105 -78.1269 292.748 PRESSAVG: 662400 14.3515 -20.3966 -35.4776 -20.3966 -0.91864 39.952 -35.4776 39.952 -13.2411 GPRESSAVG: 662400 13.1394 -22.6394 -34.2389 -21.7019 0.836437 41.1419 -35.4269 38.6308 -13.7689 TIMING: 662400 CPU: 2093.28, 0.0031417/step Wall: 2093.28, 0.0031417/step, 3.7854 hours remaining, 234.542969 MB of memory in use. ENERGY: 662400 3956.6255 20532.4958 14447.0383 240.1951 -203741.8650 2860.0034 0.0000 0.0000 52099.3933 -109606.1136 299.4159 -161705.5069 -109248.3297 298.7151 55.7442 82.3576 763225.8737 0.0639 0.0690 PRESSURE: 662600 235.144 30.4678 -93.0129 30.467 271.874 83.6746 -93.0144 83.6745 625.875 GPRESSURE: 662600 295.465 6.97544 -202.093 150.206 296.389 68.388 -73.4413 25.8133 610.889 PRESSAVG: 662600 11.4441 -39.7014 -11.8912 -39.7014 -13.1962 -5.84325 -11.8913 -5.84321 1.91254 GPRESSAVG: 662600 12.8055 -36.7653 -12.6098 -40.6593 -13.8915 -7.17667 -13.2638 -4.48776 1.35944 TIMING: 662600 CPU: 2093.9, 0.00312725/step Wall: 2093.9, 0.00312725/step, 3.76782 hours remaining, 234.542969 MB of memory in use. ENERGY: 662600 4013.9846 20451.0076 14418.6897 240.4308 -203787.5880 3167.6692 0.0000 0.0000 51869.9831 -109625.8231 298.0975 -161495.8062 -109269.7069 299.0807 377.6307 400.9143 762966.7148 0.0535 0.0912 PRESSURE: 662800 -44.0337 97.577 69.6335 97.5772 -163.046 6.6901 69.6326 6.6903 354.735 GPRESSURE: 662800 -44.1693 197.436 55.4829 171.534 -16.611 -10.0353 37.9699 36.1721 309.277 PRESSAVG: 662800 -12.1632 -35.2412 -22.284 -35.2412 -11.5712 -6.3249 -22.284 -6.32492 11.3103 GPRESSAVG: 662800 -13.3257 -35.1731 -23.4487 -34.5058 -11.2832 -5.09567 -23.8898 -6.85007 12.3362 TIMING: 662800 CPU: 2094.53, 0.00313954/step Wall: 2094.53, 0.00313954/step, 3.78245 hours remaining, 234.542969 MB of memory in use. ENERGY: 662800 3966.8951 20370.9560 14483.9624 249.5455 -203692.9140 2972.7747 0.0000 0.0000 52135.1992 -109513.5811 299.6217 -161648.7803 -109150.9165 298.6572 49.2186 82.8322 763568.9576 -4.1414 -4.0909 PRESSURE: 663000 -32.4308 1.5133 139.91 1.51212 331.321 -3.30494 139.911 -3.30456 319.587 GPRESSURE: 663000 40.281 -37.9792 118.406 -99.7995 336.845 -0.969339 145.38 -78.3867 332.195 PRESSAVG: 663000 -126.842 -26.2083 -0.322639 -26.2083 52.7328 2.51882 -0.322633 2.51877 -13.5303 GPRESSAVG: 663000 -125.528 -26.3501 0.350612 -26.731 51.961 1.38782 1.76355 2.0422 -13.5246 TIMING: 663000 CPU: 2095.16, 0.00314576/step Wall: 2095.16, 0.00314576/step, 3.78977 hours remaining, 234.542969 MB of memory in use. ENERGY: 663000 4013.4984 20520.6051 14443.1250 244.9983 -203566.3631 2965.9725 0.0000 0.0000 51916.6229 -109461.5410 298.3655 -161378.1638 -109096.7287 298.9888 206.1592 236.4405 764999.2052 -29.2132 -29.0305 PRESSURE: 663200 -28.5306 32.5758 -18.2263 32.576 196.005 -75.3519 -18.2263 -75.351 149.071 GPRESSURE: 663200 53.6536 169.901 21.4511 44.1433 152.759 -117.291 79.3558 -66.5603 180.421 PRESSAVG: 663200 -58.9578 -36.9889 18.4706 -36.9889 42.4419 -2.50982 18.4705 -2.50974 12.7429 GPRESSAVG: 663200 -58.4495 -37.8973 17.1418 -36.4118 40.9922 -2.61652 20.0559 -1.56075 13.6626 TIMING: 663200 CPU: 2095.79, 0.00312229/step Wall: 2095.79, 0.00312229/step, 3.76132 hours remaining, 234.542969 MB of memory in use. ENERGY: 663200 4038.2517 20635.0856 14520.7004 258.9729 -203214.5169 2699.9336 0.0000 0.0000 51656.5735 -109404.9992 296.8710 -161061.5727 -109047.1302 298.7437 105.5150 128.9447 763515.9267 -1.2577 -1.2649 PRESSURE: 663400 420.223 -129.742 261.279 -129.741 527.35 271.422 261.279 271.422 86.9674 GPRESSURE: 663400 433.087 -122.615 294.828 -139.159 483.005 388.825 353.259 184.358 197.049 PRESSAVG: 663400 9.82733 -71.7563 6.61975 -71.7563 -23.0725 17.3408 6.61974 17.3408 -24.7924 GPRESSAVG: 663400 9.14318 -73.4522 9.59204 -71.0604 -22.3317 18.6489 5.41644 16.1586 -25.2238 TIMING: 663400 CPU: 2096.41, 0.00313898/step Wall: 2096.41, 0.00313898/step, 3.78125 hours remaining, 234.542969 MB of memory in use. ENERGY: 663400 3970.7572 20539.3807 14455.4166 258.3271 -203735.9738 2873.7375 0.0000 0.0000 52010.0038 -109628.3509 298.9022 -161638.3547 -109260.7095 298.9415 344.8469 371.0470 762091.9694 -12.6792 -12.8041 PRESSURE: 663600 -30.5264 -298.803 49.0547 -298.803 110.186 -143.417 49.054 -143.417 -253.19 GPRESSURE: 663600 43.9966 -259.514 48.1812 -375.575 141.446 -54.6442 74.9224 -225.226 -277.573 PRESSAVG: 663600 7.95825 -55.1914 -22.9128 -55.1914 18.554 -23.5758 -22.9128 -23.5758 29.8898 GPRESSAVG: 663600 9.20375 -53.6671 -25.772 -55.57 16.2666 -23.0658 -22.8826 -21.0584 29.7188 TIMING: 663600 CPU: 2097.04, 0.00312661/step Wall: 2097.04, 0.00312661/step, 3.76618 hours remaining, 234.542969 MB of memory in use. ENERGY: 663600 4002.5816 20551.2390 14476.0952 235.9639 -203408.6209 2771.6915 0.0000 0.0000 52049.4174 -109321.6323 299.1287 -161371.0498 -108964.4641 299.2551 -57.8433 -30.7101 761792.1294 18.8007 18.3964 PRESSURE: 663800 -202.248 304.431 214.048 304.431 -400.952 165.458 214.048 165.457 -540.974 GPRESSURE: 663800 -299.068 179.956 204.085 241.564 -302.786 174.06 227.994 192.277 -457.348 PRESSAVG: 663800 -43.0949 -2.52396 27.5935 -2.52401 22.0232 11.867 27.5935 11.867 -5.25448 GPRESSAVG: 663800 -44.1848 -3.17392 28.6733 -2.94274 24.0692 12.9202 28.7535 10.1221 -5.90221 TIMING: 663800 CPU: 2097.67, 0.00314911/step Wall: 2097.67, 0.00314911/step, 3.79311 hours remaining, 234.542969 MB of memory in use. ENERGY: 663800 4072.3608 20563.1283 14401.3639 241.1270 -203385.9325 2603.0135 0.0000 0.0000 52175.3399 -109329.5991 299.8524 -161504.9389 -108959.5783 299.0796 -381.3911 -353.0673 762403.3630 -8.7754 -8.6726 PRESSURE: 664000 111.569 -71.6829 114.015 -71.6823 177.805 -86.8706 114.015 -86.8704 -245.223 GPRESSURE: 664000 122.279 -61.8643 174.265 -107.169 283.537 -129.828 98.4312 -186.225 -282.198 PRESSAVG: 664000 -1.97039 -5.94609 1.23811 -5.9461 25.1942 -22.092 1.2381 -22.092 11.0528 GPRESSAVG: 664000 -2.20431 -4.25685 1.30479 -7.10473 24.6788 -23.1212 1.20215 -21.8464 12.035 TIMING: 664000 CPU: 2098.3, 0.00313227/step Wall: 2098.3, 0.00313227/step, 3.77264 hours remaining, 234.542969 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: 664000 4064.5522 20542.3383 14506.6038 271.4200 -203235.2349 2510.4001 0.0000 0.0000 51981.5703 -109358.3503 298.7388 -161339.9205 -108996.9465 299.1237 14.7171 41.2064 761368.8117 11.4255 11.5032 PRESSURE: 664200 -38.9084 -177.574 -216.006 -177.574 91.1331 -77.1606 -216.007 -77.1602 218.565 GPRESSURE: 664200 26.2216 -207.412 -154.453 -219.438 109.176 -85.4327 -64.1978 -56.8401 215.196 PRESSAVG: 664200 -18.6722 -30.2909 -0.846887 -30.2908 53.4255 -47.8682 -0.846893 -47.8683 6.81831 GPRESSAVG: 664200 -18.7435 -28.423 -1.52182 -31.4258 54.0732 -46.8965 -1.0936 -47.669 6.35722 TIMING: 664200 CPU: 2098.93, 0.00315051/step Wall: 2098.93, 0.00315051/step, 3.79444 hours remaining, 234.542969 MB of memory in use. ENERGY: 664200 4041.0292 20274.3039 14458.1009 253.9384 -203348.6203 2705.5822 0.0000 0.0000 52159.0579 -109456.6079 299.7588 -161615.6657 -109089.4945 299.0263 90.2632 116.8646 761444.4386 13.8572 13.8956 LDB: ============= START OF LOAD BALANCING ============== 2111.46 LDB: ============== END OF LOAD BALANCING =============== 2111.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2111.46 LDB: ============= START OF LOAD BALANCING ============== 2111.77 LDB: Largest compute 7058 load 0.030633 is 15.7% of average load 0.195238 LDB: Average compute 0.004386 is 2.2% of average load 0.195238 LDB: TIME 2111.78 LOAD: AVG 0.195238 MAX 0.213722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.664 MB LDB: TIME 2111.78 LOAD: AVG 0.195238 MAX 0.213722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 2111.78 LOAD: AVG 0.195238 MAX 0.213722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 2111.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2111.78 PRESSURE: 664400 -96.3536 -107.18 -41.5614 -107.18 -144.803 -149.458 -41.5616 -149.458 -145.188 GPRESSURE: 664400 -52.5903 -111.933 -49.0638 -92.7439 -123.212 -308.242 -116.82 -57.1043 -128.715 PRESSAVG: 664400 4.82352 -50.5637 48.0472 -50.5637 -35.2068 -28.3658 48.0472 -28.3658 -10.8733 GPRESSAVG: 664400 4.98233 -53.1165 46.8785 -47.6487 -35.0038 -30.4699 48.8404 -26.101 -11.172 TIMING: 664400 CPU: 2099.57, 0.00320616/step Wall: 2099.57, 0.00320616/step, 3.86129 hours remaining, 233.175781 MB of memory in use. ENERGY: 664400 3986.8029 20825.5409 14525.6340 246.8368 -203782.8629 2988.6327 0.0000 0.0000 51887.7352 -109321.6804 298.1995 -161209.4156 -108969.3005 298.9106 -128.7813 -101.5058 764859.9353 -13.7522 -13.7311 PRESSURE: 664600 -132.683 -163.402 134.496 -163.402 287.588 110.927 134.496 110.925 -11.0627 GPRESSURE: 664600 -38.516 -95.8384 27.4415 -107.125 239.038 163.604 173.598 99.2591 20.8379 PRESSAVG: 664600 20.735 -22.6067 -30.2824 -22.6067 -50.2932 8.79334 -30.2824 8.7934 -9.19455 GPRESSAVG: 664600 20.512 -21.7783 -28.7535 -23.9185 -50.8124 9.44652 -33.0748 5.71559 -8.19839 TIMING: 664600 CPU: 2100.2, 0.00314635/step Wall: 2100.2, 0.00314635/step, 3.78907 hours remaining, 233.175781 MB of memory in use. ENERGY: 664600 3990.5173 20551.7955 14400.3981 235.5724 -203106.0527 2688.9350 0.0000 0.0000 51982.2203 -109256.6141 298.7425 -161238.8344 -108891.7090 299.2486 47.9473 73.7866 764607.5642 -12.9176 -12.8329 PRESSURE: 664800 124.209 234.461 -59.3652 234.461 -105.659 -64.8379 -59.3657 -64.8391 -180.853 GPRESSURE: 664800 211.293 192.925 15.6405 168.432 -79.6223 -19.376 14.0512 -62.9094 -224.04 PRESSAVG: 664800 18.9403 -9.48322 37.5142 -9.48326 -40.71 -2.28167 37.5141 -2.2817 -14.0394 GPRESSAVG: 664800 19.5185 -9.90463 38.3076 -9.63472 -41.2813 -0.943069 37.9691 -3.75468 -14.3913 TIMING: 664800 CPU: 2100.83, 0.00315001/step Wall: 2100.83, 0.00315001/step, 3.79331 hours remaining, 233.175781 MB of memory in use. ENERGY: 664800 3957.7654 20501.0859 14438.0812 248.2475 -203157.6050 2668.0059 0.0000 0.0000 52328.7484 -109015.6706 300.7340 -161344.4190 -108661.0098 299.2495 -54.1008 -30.7897 764291.2740 -11.9364 -12.0513 PRESSURE: 665000 -262.856 102.258 -70.0289 102.257 -167.484 100.477 -70.0289 100.477 -106.36 GPRESSURE: 665000 -179.833 147.517 -173.141 147.438 -186.646 14.951 22.1942 278.747 -81.5396 PRESSAVG: 665000 -33.7563 -36.3822 17.0878 -36.3822 -15.0699 -5.64464 17.0878 -5.64463 11.6187 GPRESSAVG: 665000 -33.9285 -35.3694 16.5598 -35.708 -15.2292 -6.39636 14.7268 -2.34431 11.7171 TIMING: 665000 CPU: 2101.46, 0.00314941/step Wall: 2101.46, 0.00314941/step, 3.79242 hours remaining, 233.367188 MB of memory in use. ENERGY: 665000 4026.4939 20504.6681 14479.6945 245.2752 -202912.7563 2430.1801 0.0000 0.0000 52348.2538 -108878.1908 300.8461 -161226.4446 -108520.8263 299.7388 -178.9001 -149.3394 764728.2044 -12.4025 -12.4802 PRESSURE: 665200 -119.878 -88.6091 -72.8639 -88.6092 -199.801 -21.8961 -72.8639 -21.8953 -122.818 GPRESSURE: 665200 -124.622 -50.9853 -73.9257 -20.6824 -136.617 -38.5815 -63.4982 -98.7662 -70.7253 PRESSAVG: 665200 16.8092 -23.4213 -11.105 -23.4214 -3.69994 0.977923 -11.1051 0.977901 21.4686 GPRESSAVG: 665200 16.2163 -22.5383 -11.3913 -22.7659 -2.14576 1.85409 -7.69679 0.680058 20.5463 TIMING: 665200 CPU: 2102.08, 0.00313701/step Wall: 2102.08, 0.00313701/step, 3.77731 hours remaining, 233.367188 MB of memory in use. ENERGY: 665200 3981.8059 20444.9232 14512.8456 239.2139 -202746.6797 2560.4085 0.0000 0.0000 51970.8632 -109036.6194 298.6773 -161007.4827 -108670.4296 299.7604 -147.4989 -110.6549 764383.5035 11.5260 11.5390 PRESSURE: 665400 -265.097 112.846 -46.2754 112.845 153.904 0.0573177 -46.2753 0.0571122 15.2996 GPRESSURE: 665400 -283.601 102.652 -19.569 230.394 203.463 -74.1966 -115.914 11.7843 65.1483 PRESSAVG: 665400 -38.0681 -18.5093 12.4743 -18.5092 20.33 -97.2561 12.4744 -97.2561 1.84959 GPRESSAVG: 665400 -38.2622 -20.2912 12.2694 -20.6454 19.8961 -99.311 9.77693 -98.9558 2.42253 TIMING: 665400 CPU: 2102.71, 0.00315397/step Wall: 2102.71, 0.00315397/step, 3.79755 hours remaining, 233.367188 MB of memory in use. ENERGY: 665400 3971.9310 20719.0834 14504.2980 253.3680 -203148.1924 2728.9971 0.0000 0.0000 52131.6313 -108838.8837 299.6012 -160970.5150 -108482.2076 300.0433 -31.9643 -4.9965 763989.2567 -5.2962 -5.3145 PRESSURE: 665600 79.1367 -52.1498 71.5112 -52.1503 -108.48 -53.6237 71.511 -53.6232 -34.4256 GPRESSURE: 665600 78.6157 12.099 22.0647 -24.3223 -90.7546 27.741 -29.5412 -97.6953 30.5444 PRESSAVG: 665600 29.9104 -8.30799 0.319233 -8.30796 10.9365 -50.0571 0.319156 -50.0571 -14.4967 GPRESSAVG: 665600 30.6219 -9.38964 -0.302607 -9.37834 10.2274 -48.7833 1.54967 -49.2305 -14.0293 TIMING: 665600 CPU: 2103.35, 0.0031679/step Wall: 2103.35, 0.0031679/step, 3.81415 hours remaining, 233.367188 MB of memory in use. ENERGY: 665600 4063.2999 20724.3970 14525.0761 233.3294 -203703.8587 3086.7006 0.0000 0.0000 51996.2326 -109074.8231 298.8231 -161071.0557 -108720.4141 300.3307 -21.2563 6.1352 763160.3923 8.7834 8.9400 PRESSURE: 665800 24.6122 -83.2061 147.39 -83.2068 -376.09 73.7587 147.388 73.7583 -197.363 GPRESSURE: 665800 58.8996 -53.011 201.842 -102.684 -368.219 47.7859 239.266 107.046 -136.991 PRESSAVG: 665800 28.8241 -31.3248 45.6907 -31.3249 -44.7061 -18.6595 45.6907 -18.6595 -2.39096 GPRESSAVG: 665800 28.4421 -30.641 46.0358 -29.8087 -44.5267 -19.308 47.0486 -19.2477 -1.90637 TIMING: 665800 CPU: 2103.98, 0.00315801/step Wall: 2103.98, 0.00315801/step, 3.80207 hours remaining, 233.367188 MB of memory in use. ENERGY: 665800 3984.8895 20664.3398 14551.8886 242.7320 -202965.9813 2520.0605 0.0000 0.0000 52325.1030 -108676.9679 300.7131 -161002.0709 -108314.6837 299.7585 -182.9468 -148.7702 765211.6389 -6.0910 -5.9970 PRESSURE: 666000 -0.552858 -33.0398 181.682 -33.04 -17.3684 97.7778 181.682 97.7778 -115.281 GPRESSURE: 666000 111.707 -53.1963 188.66 -79.9689 -47.6313 5.08273 51.7784 114.698 -123.284 PRESSAVG: 666000 67.1434 6.07385 7.70798 6.07384 -34.3354 15.3644 7.70791 15.3645 29.3693 GPRESSAVG: 666000 68.3993 6.21269 7.17593 5.63647 -33.398 15.8307 5.25284 16.8586 28.0861 TIMING: 666000 CPU: 2104.61, 0.00314534/step Wall: 2104.61, 0.00314533/step, 3.78663 hours remaining, 233.367188 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: 666000 4027.5751 20546.4147 14519.9681 248.2692 -203616.5511 3059.6642 0.0000 0.0000 52373.6514 -108841.0084 300.9921 -161214.6598 -108473.2120 300.5713 -44.4008 -19.7361 763845.6478 20.7258 21.0291 PRESSURE: 666200 -412.8 -8.99162 88.3858 -8.99164 46.6166 110.972 88.3861 110.973 -199.333 GPRESSURE: 666200 -428.755 119.861 -2.9971 -60.4473 60.763 134.419 120.692 103.056 -99.4767 PRESSAVG: 666200 -2.97279 14.7278 72.0125 14.7278 33.1013 -4.29858 72.0125 -4.29863 -21.7386 GPRESSAVG: 666200 -3.70133 14.249 72.7275 15.0863 33.7149 -6.13799 74.2634 -2.08409 -21.1903 TIMING: 666200 CPU: 2105.24, 0.00315559/step Wall: 2105.24, 0.00315559/step, 3.7988 hours remaining, 233.367188 MB of memory in use. ENERGY: 666200 3963.3664 20593.9188 14468.3218 248.2970 -203498.0662 2823.5569 0.0000 0.0000 52392.0577 -109008.5475 301.0979 -161400.6052 -108654.1051 300.5911 -188.5056 -155.8230 762954.1528 2.7967 2.9411 PRESSURE: 666400 -313.153 -0.786338 -145.686 -0.786002 137.738 81.0202 -145.685 81.0209 -404.782 GPRESSURE: 666400 -278.994 -22.8203 -132.893 -11.3003 174.563 72.6564 -64.0304 93.2042 -384.965 PRESSAVG: 666400 -11.0281 58.3122 -51.9328 58.3122 -0.310227 27.8321 -51.9328 27.8321 6.03441 GPRESSAVG: 666400 -10.977 59.0517 -52.6755 57.3757 -0.856028 29.3277 -52.9408 25.3111 6.34508 TIMING: 666400 CPU: 2105.87, 0.0031431/step Wall: 2105.87, 0.0031431/step, 3.78359 hours remaining, 233.367188 MB of memory in use. ENERGY: 666400 4028.0382 20675.8067 14418.7381 232.6123 -203164.4899 2763.9324 0.0000 0.0000 51882.8662 -109162.4960 298.1715 -161045.3622 -108804.1251 299.8170 -193.3988 -163.1320 763567.2231 -1.7680 -1.8293 PRESSURE: 666600 63.7537 -2.52001 126.248 -2.52071 -102.288 64.1639 126.248 64.1641 166.669 GPRESSURE: 666600 68.1782 -16.3878 134.502 12.2124 -2.93569 18.3597 93.112 -22.0173 155.773 PRESSAVG: 666600 -19.0835 -6.16962 19.3179 -6.16971 17.5951 -25.3976 19.3179 -25.3976 1.15259 GPRESSAVG: 666600 -18.465 -6.25297 19.0583 -4.21892 18.181 -26.1762 20.3049 -25.8641 0.250035 TIMING: 666600 CPU: 2106.5, 0.00313508/step Wall: 2106.5, 0.00313508/step, 3.77376 hours remaining, 233.367188 MB of memory in use. ENERGY: 666600 3979.3772 20625.2550 14420.7070 243.5966 -203567.0603 2844.4232 0.0000 0.0000 52028.0985 -109425.6027 299.0062 -161453.7013 -109076.7936 299.2181 42.7115 73.6719 762861.3964 -0.1119 -0.0113 PRESSURE: 666800 -44.7683 0.962617 124.364 0.962924 222.378 -1.95657 124.364 -1.95728 -90.0505 GPRESSURE: 666800 120.759 35.7488 69.6782 51.4004 149.666 -39.4801 9.93755 74.4661 -98.0036 PRESSAVG: 666800 24.8175 95.7857 -21.0463 95.7858 -49.3977 -11.6246 -21.0462 -11.6246 8.07042 GPRESSAVG: 666800 23.9069 94.7148 -20.6126 95.6236 -49.2515 -11.1941 -23.5027 -10.0707 8.76927 TIMING: 666800 CPU: 2107.13, 0.00316883/step Wall: 2107.13, 0.00316883/step, 3.81421 hours remaining, 233.367188 MB of memory in use. ENERGY: 666800 4096.4062 20500.9226 14474.2509 259.3727 -203598.9311 2723.6968 0.0000 0.0000 52082.6194 -109461.6625 299.3195 -161544.2820 -109094.6778 298.9617 29.1865 57.4738 763712.3401 -5.5033 -5.5251 PRESSURE: 667000 48.9619 -52.0037 -127.22 -52.004 195.807 -73.7995 -127.22 -73.7999 -99.5473 GPRESSURE: 667000 77.94 -0.87771 -55.6816 -151.49 219.582 -89.7265 -117.41 -122.707 -68.5951 PRESSAVG: 667000 15.9716 -7.40493 -25.8352 -7.4049 -23.4544 8.88207 -25.8353 8.88207 9.75058 GPRESSAVG: 667000 16.4062 -7.65247 -26.1453 -7.49369 -24.5474 9.45094 -23.1661 6.77934 10.2509 TIMING: 667000 CPU: 2107.76, 0.00317727/step Wall: 2107.76, 0.00317727/step, 3.8242 hours remaining, 233.367188 MB of memory in use. ENERGY: 667000 3958.5169 20657.2990 14498.0804 238.9862 -203387.8489 2930.1984 0.0000 0.0000 51663.4068 -109441.3611 296.9103 -161104.7680 -109080.6014 298.4517 48.4072 76.3089 763328.2643 0.7559 0.7033 PRESSURE: 667200 -211.111 27.2235 45.4355 27.2229 -328.52 -58.4838 45.4347 -58.4826 -29.2274 GPRESSURE: 667200 -146.802 24.09 -32.7639 111.151 -322.339 -78.4261 98.3321 110.995 -19.1349 PRESSAVG: 667200 13.076 -15.4113 -0.47214 -15.4113 -0.607547 -62.2256 -0.472202 -62.2257 -4.53916 GPRESSAVG: 667200 13.957 -13.7692 1.66683 -15.187 -0.0462182 -61.2996 -3.60151 -58.258 -5.6593 TIMING: 667200 CPU: 2108.39, 0.00314147/step Wall: 2108.39, 0.00314147/step, 3.78094 hours remaining, 233.367188 MB of memory in use. ENERGY: 667200 4043.5498 20615.1994 14442.3512 224.3159 -203522.4285 2794.1761 0.0000 0.0000 52130.2294 -109272.6068 299.5931 -161402.8362 -108910.6338 299.1136 -189.6196 -162.7585 764778.9190 2.6431 2.7505 PRESSURE: 667400 -281.894 244.061 5.05325 244.062 -57.1893 -232.468 5.05316 -232.467 -204.354 GPRESSURE: 667400 -182.396 133.626 -5.356 210.189 -68.5839 -225.634 73.9987 -223.018 -164.367 PRESSAVG: 667400 -51.371 49.4297 28.3744 49.4297 36.7543 -19.2986 28.3744 -19.2986 15.0839 GPRESSAVG: 667400 -52.2563 47.7806 26.6992 47.295 36.1824 -21.1015 28.8693 -21.2075 16.4847 TIMING: 667400 CPU: 2109.03, 0.00316854/step Wall: 2109.03, 0.00316854/step, 3.81334 hours remaining, 233.367188 MB of memory in use. ENERGY: 667400 4068.6925 20466.3344 14451.7391 275.3618 -203380.1311 2613.0517 0.0000 0.0000 52185.7038 -109319.2478 299.9120 -161504.9516 -108954.9743 299.5033 -181.1458 -138.4490 763867.5213 0.1558 0.1369 PRESSURE: 667600 -82.3644 -8.0989 -190.069 -8.09903 -287.146 -112.365 -190.07 -112.365 -410.805 GPRESSURE: 667600 -54.7021 34.669 -99.0209 -52.2772 -214.476 4.09927 -142.608 -174.203 -409.081 PRESSAVG: 667600 -33.215 42.0338 14.6677 42.0338 57.5624 -10.5421 14.6677 -10.5421 0.500848 GPRESSAVG: 667600 -32.042 43.6424 15.668 43.2983 57.8122 -9.40105 15.028 -9.37834 -0.976817 TIMING: 667600 CPU: 2109.67, 0.00319254/step Wall: 2109.67, 0.00319254/step, 3.84204 hours remaining, 233.367188 MB of memory in use. ENERGY: 667600 4124.2682 20584.9487 14500.4920 239.4054 -203598.0676 2627.2474 0.0000 0.0000 52053.0651 -109468.6408 299.1497 -161521.7059 -109104.8898 299.3979 -260.1051 -226.0865 764161.4316 8.2827 8.2644 PRESSURE: 667800 -265.647 -30.5701 173.966 -30.57 288.804 5.14306 173.965 5.14338 366.637 GPRESSURE: 667800 -246.011 102.991 147.373 6.53877 335.183 -29.2906 149.468 -18.951 378.251 PRESSAVG: 667800 -23.8661 -12.2508 -0.88 -12.2508 -10.4415 -38.5179 -0.879985 -38.518 1.16014 GPRESSAVG: 667800 -24.1776 -12.3887 -3.27686 -11.9993 -10.4398 -37.9328 0.418932 -40.0724 1.05909 TIMING: 667800 CPU: 2110.29, 0.00313912/step Wall: 2110.29, 0.00313912/step, 3.77758 hours remaining, 233.367188 MB of memory in use. ENERGY: 667800 3993.4629 20455.4521 14419.8228 233.9125 -203500.2715 2789.0618 0.0000 0.0000 51875.9691 -109732.5904 298.1319 -161608.5595 -109364.2577 298.7064 129.9313 155.8076 763702.7570 -11.0492 -11.1861 PRESSURE: 668000 -3.19349 -26.2694 -75.7817 -26.2697 -362.233 -132.408 -75.781 -132.407 -77.6618 GPRESSURE: 668000 -26.8087 -26.3012 -70.5884 -101.944 -246.376 -102.151 -123.643 -114.361 -106.854 PRESSAVG: 668000 4.49106 49.4424 -9.29424 49.4424 -5.46543 -34.2808 -9.29427 -34.2808 18.9682 GPRESSAVG: 668000 4.29457 48.7306 -7.63098 50.6162 -5.61223 -34.7915 -9.97284 -34.2916 19.2237 TIMING: 668000 CPU: 2110.92, 0.00313155/step Wall: 2110.92, 0.00313155/step, 3.7683 hours remaining, 233.367188 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: 668000 3932.3991 20636.1702 14457.0915 262.4960 -203326.8126 2499.6473 0.0000 0.0000 51792.6964 -109746.3121 297.6533 -161539.0085 -109396.3350 298.4099 -147.6960 -126.6796 763644.0948 5.9979 5.9687 PRESSURE: 668200 -207.31 -49.4489 -242.316 -49.4496 -90.398 163.758 -242.317 163.758 299.324 GPRESSURE: 668200 -148.078 -97.1995 -256.335 -29.9672 -83.438 127.653 -232.355 145.346 285.013 PRESSAVG: 668200 -54.3423 27.8075 -49.6652 27.8075 41.7578 -32.2068 -49.6652 -32.2067 1.66916 GPRESSAVG: 668200 -56.1125 26.7037 -50.2844 26.2986 42.2139 -33.3369 -49.9947 -32.6441 2.71334 TIMING: 668200 CPU: 2111.55, 0.00314325/step Wall: 2111.55, 0.00314325/step, 3.7822 hours remaining, 233.367188 MB of memory in use. ENERGY: 668200 4006.6343 20570.9390 14475.1118 251.2114 -203764.0860 2780.2639 0.0000 0.0000 51862.8438 -109817.0817 298.0565 -161679.9256 -109464.9301 298.3000 0.5385 17.8326 763449.6216 -3.6385 -3.7284 LDB: ============= START OF LOAD BALANCING ============== 2124.08 LDB: ============== END OF LOAD BALANCING =============== 2124.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2124.08 LDB: ============= START OF LOAD BALANCING ============== 2124.4 LDB: Largest compute 7060 load 0.032169 is 16.5% of average load 0.195255 LDB: Average compute 0.004388 is 2.2% of average load 0.195255 LDB: TIME 2124.4 LOAD: AVG 0.195255 MAX 0.212849 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 2124.4 LOAD: AVG 0.195255 MAX 0.212849 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 2124.4 LOAD: AVG 0.195255 MAX 0.212849 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 2124.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2124.41 PRESSURE: 668400 27.2037 84.9152 151.351 84.9155 -86.3591 24.4705 151.35 24.4705 11.5383 GPRESSURE: 668400 92.9214 76.7961 115.632 36.7369 -96.4607 13.3555 209.876 -3.99709 48.5566 PRESSAVG: 668400 -4.96492 26.7685 -42.4314 26.7684 14.5992 -33.4944 -42.4315 -33.4944 22.8814 GPRESSAVG: 668400 -3.39706 27.2729 -42.1646 26.0321 14.0147 -34.7162 -40.8673 -32.1048 21.8298 TIMING: 668400 CPU: 2112.19, 0.00322651/step Wall: 2112.19, 0.00322651/step, 3.8822 hours remaining, 232.722656 MB of memory in use. ENERGY: 668400 4033.2273 20519.8187 14426.1985 238.0065 -203338.5681 2601.0809 0.0000 0.0000 51845.6019 -109674.6344 297.9574 -161520.2362 -109315.9908 298.3432 -15.8724 15.0058 763240.3813 10.8386 10.8158 PRESSURE: 668600 -80.9339 -47.1486 -114.357 -47.1485 177.946 -122.75 -114.356 -122.75 -33.8203 GPRESSURE: 668600 -33.9661 -47.9822 -135.449 -75.1105 152.488 -31.8664 -60.1185 -141.733 11.5502 PRESSAVG: 668600 -10.14 4.94204 -14.7003 4.94203 26.6813 -35.3956 -14.7003 -35.3956 -3.73541 GPRESSAVG: 668600 -9.87535 6.18073 -14.0234 4.83267 25.6393 -33.2835 -16.6116 -35.3659 -4.27531 TIMING: 668600 CPU: 2112.82, 0.00315013/step Wall: 2112.82, 0.00315013/step, 3.79013 hours remaining, 232.925781 MB of memory in use. ENERGY: 668600 4007.8284 20426.2962 14459.8227 251.3431 -203667.2911 2931.5583 0.0000 0.0000 51923.2807 -109667.1618 298.4038 -161590.4425 -109304.5202 298.6457 21.0639 43.3572 762631.0671 4.2686 3.8295 PRESSURE: 668800 -262.001 175.105 -53.6092 175.106 -7.79796 -230.02 -53.6095 -230.02 -20.3594 GPRESSURE: 668800 -170.107 223.853 -125.537 93.3464 35.3481 -119.657 -86.5307 -181.92 -68.0393 PRESSAVG: 668800 -50.1617 6.72595 8.49752 6.72597 26.5736 14.7384 8.49758 14.7384 -12.4115 GPRESSAVG: 668800 -51.3992 8.13226 6.84701 6.52768 27.7271 16.2705 10.8559 12.9519 -12.2299 TIMING: 668800 CPU: 2113.45, 0.003136/step Wall: 2113.45, 0.003136/step, 3.77296 hours remaining, 232.925781 MB of memory in use. ENERGY: 668800 3909.2240 20423.1006 14524.4849 251.2909 -203331.8519 2554.2878 0.0000 0.0000 51958.0909 -109711.3728 298.6039 -161669.4637 -109352.3859 298.3212 -96.7193 -67.5993 762688.9280 -11.9999 -11.9673 PRESSURE: 669000 -142.156 80.1899 -110.286 80.1901 -417.423 -143.368 -110.285 -143.368 -272.253 GPRESSURE: 669000 -140.557 -35.3105 -133.44 -20.7911 -335.861 -75.8292 76.0004 -161.132 -270.596 PRESSAVG: 669000 -43.5296 20.7541 11.9996 20.7541 19.755 -39.5388 11.9996 -39.5387 -27.464 GPRESSAVG: 669000 -41.9144 18.5895 13.8733 20.1911 17.7909 -41.0683 10.9739 -37.2691 -25.9327 TIMING: 669000 CPU: 2114.08, 0.00316108/step Wall: 2114.08, 0.00316108/step, 3.80296 hours remaining, 232.925781 MB of memory in use. ENERGY: 669000 3973.0618 20686.7751 14519.1983 249.2724 -203518.5403 2503.5933 0.0000 0.0000 51940.3233 -109646.3161 298.5018 -161586.6394 -109299.2574 298.2213 -277.2773 -249.0050 761002.7516 -17.0795 -16.6854 PRESSURE: 669200 -66.5716 -254.987 108.526 -254.986 81.8174 -80.7206 108.526 -80.7201 226.881 GPRESSURE: 669200 61.2686 -228.924 94.9566 -289.47 71.4364 -95.1657 147.469 56.1355 170.863 PRESSAVG: 669200 -7.28007 17.4094 67.0557 17.4094 58.4592 -56.93 67.0557 -56.93 7.66391 GPRESSAVG: 669200 -7.98662 17.1564 66.7837 16.7015 59.6816 -56.4209 68.0264 -59.5132 7.23434 TIMING: 669200 CPU: 2114.71, 0.00313978/step Wall: 2114.71, 0.00313978/step, 3.77715 hours remaining, 232.925781 MB of memory in use. ENERGY: 669200 3983.1412 20545.3569 14483.6646 237.3825 -203378.1766 2574.5772 0.0000 0.0000 52058.3531 -109495.7011 299.1801 -161554.0542 -109138.6355 298.8289 80.7090 101.1895 760925.5411 19.6143 19.6431 PRESSURE: 669400 -178.961 58.7697 41.2122 58.7702 -267.319 -268.748 41.2121 -268.748 -344.958 GPRESSURE: 669400 -160.073 95.6064 14.0399 102.091 -224.64 -319.698 35.3453 -226.27 -318.44 PRESSAVG: 669400 6.33651 -33.4215 -5.09913 -33.4216 19.526 21.9955 -5.09904 21.9955 18.0438 GPRESSAVG: 669400 6.95796 -30.8539 -7.1082 -34.3164 18.8292 20.8309 -5.81428 23.7201 17.921 TIMING: 669400 CPU: 2115.34, 0.00315251/step Wall: 2115.34, 0.00315251/step, 3.79229 hours remaining, 232.925781 MB of memory in use. ENERGY: 669400 4056.0794 20502.9351 14503.9994 244.2648 -203429.0801 2550.4520 0.0000 0.0000 52152.2586 -109419.0908 299.7197 -161571.3494 -109051.3905 299.2048 -263.7457 -234.3841 761246.4223 14.6354 14.5694 PRESSURE: 669600 -342.763 -22.0395 121.12 -22.0402 108.264 84.0841 121.119 84.0841 -1.65504 GPRESSURE: 669600 -198.14 -24.8 124.366 -103.232 77.2082 100.933 104.632 38.6038 -17.5903 PRESSAVG: 669600 -55.5333 -26.1725 -20.3293 -26.1725 50.1091 0.802963 -20.3293 0.803005 -19.8601 GPRESSAVG: 669600 -56.3179 -29.0119 -18.7894 -24.6847 50.371 1.42139 -20.615 -0.851254 -19.4289 TIMING: 669600 CPU: 2115.98, 0.00318984/step Wall: 2115.98, 0.00318984/step, 3.83703 hours remaining, 232.992188 MB of memory in use. ENERGY: 669600 4099.3228 20442.9809 14523.5013 232.4827 -203610.0506 2822.8295 0.0000 0.0000 52107.0743 -109381.8591 299.4601 -161488.9334 -109018.2106 299.1321 -78.7183 -46.1742 762242.7721 -8.4281 -8.4586 PRESSURE: 669800 -199.481 -219.728 113.267 -219.729 -59.0856 87.6035 113.267 87.6032 -454.975 GPRESSURE: 669800 -141.167 -218.739 58.2538 -264.152 -79.1719 -31.4361 72.8487 122.842 -421.064 PRESSAVG: 669800 -62.2396 45.5396 -17.0329 45.5395 76.9099 -0.822505 -17.0328 -0.822561 -2.51099 GPRESSAVG: 669800 -61.8697 44.9661 -17.1197 45.5714 76.844 -1.07597 -18.247 -1.11941 -3.12929 TIMING: 669800 CPU: 2116.62, 0.00318501/step Wall: 2116.62, 0.00318501/step, 3.83104 hours remaining, 232.992188 MB of memory in use. ENERGY: 669800 4003.8153 20827.2823 14489.0487 232.9303 -203065.4590 2375.0146 0.0000 0.0000 51920.6526 -109216.7152 298.3887 -161137.3678 -108860.2268 299.5054 -237.8470 -213.8010 762782.0721 4.0531 3.9484 PRESSURE: 670000 2.78439 -97.8155 -80.3702 -97.8155 -14.8676 18.1075 -80.3697 18.1076 -192.67 GPRESSURE: 670000 -14.1463 16.2512 -85.1672 -64.6839 76.5361 41.3407 -65.6813 -86.8186 -185.033 PRESSAVG: 670000 -70.0914 -1.69048 -29.0878 -1.69048 11.6887 30.2787 -29.0877 30.2788 4.20896 GPRESSAVG: 670000 -70.2094 -0.947659 -29.7996 -0.710234 10.85 30.2898 -26.8166 29.051 4.46007 TIMING: 670000 CPU: 2117.25, 0.00317539/step Wall: 2117.25, 0.00317539/step, 3.81929 hours remaining, 232.992188 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: 670000 3899.8622 20542.3138 14514.5294 228.4285 -203227.9372 2670.3946 0.0000 0.0000 52185.2462 -109187.1624 299.9093 -161372.4086 -108822.1790 299.4479 -68.2511 -40.8809 763605.5547 -18.0646 -18.2998 PRESSURE: 670200 -521.494 37.0057 32.49 37.0053 -572.591 -2.87734 32.4896 -2.87707 181.523 GPRESSURE: 670200 -446.099 174.174 0.828121 -30.4472 -501.897 -43.1393 57.5181 -25.8234 109.036 PRESSAVG: 670200 18.6686 -19.3545 10.3452 -19.3545 -51.8359 31.5027 10.3452 31.5027 0.646927 GPRESSAVG: 670200 18.9357 -18.7232 10.9838 -20.2656 -51.8832 32.2164 7.89092 32.5023 0.457261 TIMING: 670200 CPU: 2117.88, 0.0031666/step Wall: 2117.88, 0.0031666/step, 3.80854 hours remaining, 232.992188 MB of memory in use. ENERGY: 670200 4035.4682 20601.2501 14532.4918 237.5749 -203501.6018 2657.4509 0.0000 0.0000 52181.1931 -109256.1728 299.8860 -161437.3659 -108892.5652 299.6232 -304.1875 -279.6534 763470.7985 -10.8401 -10.8301 PRESSURE: 670400 102.876 -106.785 -101.107 -106.786 -22.9592 3.863 -101.105 3.86251 232.045 GPRESSURE: 670400 107.086 -191.893 -107.6 -11.7329 14.7901 10.8873 -54.9404 92.6523 290.629 PRESSAVG: 670400 52.5833 25.1777 13.6411 25.1777 -38.0865 2.51634 13.6412 2.51633 0.0535642 GPRESSAVG: 670400 51.752 23.8977 14.2223 26.2836 -38.3477 0.708669 13.3323 4.69341 1.71472 TIMING: 670400 CPU: 2118.52, 0.00315226/step Wall: 2118.52, 0.00315226/step, 3.79111 hours remaining, 232.992188 MB of memory in use. ENERGY: 670400 3935.2755 20618.9601 14602.7994 255.0954 -203445.0235 2849.6004 0.0000 0.0000 51867.1362 -109316.1564 298.0811 -161183.2926 -108958.0383 299.2538 103.9870 137.5016 762775.4166 4.8501 5.0397 PRESSURE: 670600 186.55 89.2129 93.3255 89.2125 303.773 106.243 93.3252 106.242 29.0204 GPRESSURE: 670600 191.206 43.8285 147.076 70.4347 375.334 17.4232 -106.463 134.659 38.015 PRESSAVG: 670600 -43.6533 5.87059 -15.4356 5.87061 -7.14519 22.048 -15.4356 22.048 -1.26452 GPRESSAVG: 670600 -42.2428 5.36745 -15.7632 5.00499 -6.1949 22.6855 -12.2999 22.5754 -3.14024 TIMING: 670600 CPU: 2119.14, 0.00314805/step Wall: 2119.14, 0.00314805/step, 3.78588 hours remaining, 232.992188 MB of memory in use. ENERGY: 670600 3966.7491 20422.8819 14436.8673 242.0099 -203305.0064 2885.0400 0.0000 0.0000 52294.1100 -109057.3482 300.5350 -161351.4583 -108693.0320 299.1800 173.1146 201.5184 763054.7456 -17.3543 -17.1926 PRESSURE: 670800 -206.355 160.852 150.437 160.852 -521.564 67.8221 150.437 67.8214 53.7146 GPRESSURE: 670800 -231.686 172.151 122.675 176.984 -410.435 -5.50532 153.082 47.4984 39.8821 PRESSAVG: 670800 22.1778 32.2916 -32.2903 32.2916 -67.3053 10.5842 -32.2904 10.5842 4.02656 GPRESSAVG: 670800 22.1703 32.1902 -33.7931 31.8142 -67.2129 10.7019 -33.8848 8.85418 3.98514 TIMING: 670800 CPU: 2119.77, 0.0031241/step Wall: 2119.77, 0.0031241/step, 3.7569 hours remaining, 232.992188 MB of memory in use. ENERGY: 670800 4005.8215 20592.3070 14609.4855 251.6278 -202870.6679 2404.8127 0.0000 0.0000 52229.9318 -108776.6816 300.1661 -161006.6134 -108403.4827 300.2315 -224.7348 -200.7462 764817.2791 -13.7003 -13.6858 PRESSURE: 671000 108.669 134.521 35.2283 134.521 394.45 -137.843 35.2287 -137.842 471.482 GPRESSURE: 671000 175.998 115.509 -82.2579 101.886 383.876 -54.9078 30.4301 -138.497 505.723 PRESSAVG: 671000 -35.4695 -1.13275 -62.8575 -1.13277 4.30495 16.6547 -62.8575 16.6548 4.46644 GPRESSAVG: 671000 -36.7582 -2.58918 -60.0471 0.0199972 4.14119 15.763 -62.5955 17.3266 6.26061 TIMING: 671000 CPU: 2120.4, 0.00314453/step Wall: 2120.4, 0.00314453/step, 3.7813 hours remaining, 232.992188 MB of memory in use. ENERGY: 671000 3949.9134 20707.2814 14520.7890 269.9793 -203367.2066 2883.7435 0.0000 0.0000 52362.5437 -108672.9562 300.9283 -161035.4999 -108310.8992 300.6588 324.8667 355.1992 760710.6902 -8.8994 -8.7855 PRESSURE: 671200 -312.863 -168.255 97.2822 -168.255 -88.3795 -13.5318 97.2827 -13.5321 180.775 GPRESSURE: 671200 -242.386 -127.838 72.9206 -197.229 -86.6853 -13.0476 110.612 -71.6023 195.77 PRESSAVG: 671200 -8.10427 -20.6787 14.2043 -20.6787 39.6962 -8.67341 14.2044 -8.6734 -8.63351 GPRESSAVG: 671200 -6.00063 -17.3053 12.91 -19.8847 37.9614 -7.70137 13.7101 -10.7278 -8.86441 TIMING: 671200 CPU: 2121.03, 0.00314129/step Wall: 2121.03, 0.00314128/step, 3.77722 hours remaining, 232.992188 MB of memory in use. ENERGY: 671200 4057.5613 20707.3120 14555.9280 259.1450 -202595.3127 2375.0003 0.0000 0.0000 51871.8900 -108768.4761 298.1085 -160640.3661 -108407.2456 300.8761 -73.4891 -44.4337 763886.7170 7.6528 7.6988 PRESSURE: 671400 144.273 38.412 208.37 38.4119 -139.837 -44.3134 208.369 -44.313 79.8116 GPRESSURE: 671400 157.875 -25.2258 173.803 -106.771 -87.8721 21.7422 60.2987 -60.8347 102.038 PRESSAVG: 671400 -37.3627 44.5291 45.7973 44.5291 41.592 25.11 45.7974 25.1101 1.15874 GPRESSAVG: 671400 -37.5634 42.8807 44.8814 41.947 42.0177 25.9638 44.6821 26.013 1.1538 TIMING: 671400 CPU: 2121.65, 0.00312273/step Wall: 2121.65, 0.00312273/step, 3.75473 hours remaining, 232.992188 MB of memory in use. ENERGY: 671400 4024.0654 20424.4669 14546.3946 248.3248 -203111.3938 2690.3457 0.0000 0.0000 52124.0076 -109053.7889 299.5574 -161177.7964 -108687.1978 299.4647 28.0824 57.3468 763431.3519 1.7960 1.8694 PRESSURE: 671600 -274.949 19.3351 -234.689 19.3349 76.2826 18.1953 -234.689 18.1943 180.749 GPRESSURE: 671600 -248.711 -48.3124 -85.5513 -13.6773 43.8516 29.2836 -249.449 68.8125 284.472 PRESSAVG: 671600 -32.4522 20.9953 -13.0369 20.9952 -15.4797 37.7083 -13.0369 37.7083 -10.3964 GPRESSAVG: 671600 -32.7792 22.3739 -11.8418 21.1568 -14.0378 37.5936 -11.9495 39.1205 -11.1575 TIMING: 671600 CPU: 2122.28, 0.00314439/step Wall: 2122.28, 0.00314439/step, 3.78061 hours remaining, 232.992188 MB of memory in use. ENERGY: 671600 4011.2088 20578.9970 14509.6905 252.1704 -203211.4298 2730.0621 0.0000 0.0000 51940.0158 -109189.2852 298.5000 -161129.3009 -108825.4882 299.5129 -5.9725 26.5375 761748.2472 -19.4428 -19.3248 PRESSURE: 671800 -94.321 190.335 -50.9971 190.335 380.805 -20.4115 -50.9975 -20.4117 305.178 GPRESSURE: 671800 21.2798 100.836 16.8099 260.729 285.878 -31.9406 5.53079 8.23203 354.447 PRESSAVG: 671800 26.8469 34.8217 -36.3105 34.8217 51.0562 -25.6121 -36.3105 -25.6121 4.15548 GPRESSAVG: 671800 26.5485 35.3412 -36.6272 33.5638 51.0666 -25.479 -35.1978 -25.7817 4.20517 TIMING: 671800 CPU: 2122.91, 0.00312966/step Wall: 2122.91, 0.00312966/step, 3.76271 hours remaining, 232.992188 MB of memory in use. ENERGY: 671800 3983.1362 20364.3141 14575.5341 255.1801 -203928.1251 2970.9041 0.0000 0.0000 52306.3348 -109472.7216 300.6052 -161779.0565 -109093.7541 299.4488 197.2205 220.5349 763330.3926 27.3529 27.2734 PRESSURE: 672000 -16.8802 116.686 -21.3991 116.685 -42.4234 51.0959 -21.3985 51.0961 -561.764 GPRESSURE: 672000 57.3417 188.532 -52.2245 48.6795 -83.3265 49.3474 39.0833 14.5414 -490.844 PRESSAVG: 672000 19.3215 21.3598 -50.5915 21.3597 -7.84686 2.67701 -50.5915 2.67705 16.9261 GPRESSAVG: 672000 19.5307 21.1093 -50.4391 22.9311 -7.49905 2.02948 -51.0428 0.369779 16.2459 TIMING: 672000 CPU: 2123.54, 0.00315758/step Wall: 2123.54, 0.00315758/step, 3.79611 hours remaining, 232.992188 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: 672000 3971.8162 20449.2078 14528.3598 244.7921 -203382.5584 2648.5949 0.0000 0.0000 51978.3257 -109561.4618 298.7202 -161539.7875 -109187.9596 299.0363 -207.0225 -172.2763 764215.9034 9.4669 9.4258 PRESSURE: 672200 193.808 116.507 -131.893 116.507 158.504 -75.7786 -131.893 -75.7793 130.038 GPRESSURE: 672200 179.41 155.24 -66.9209 79.9329 241.688 -109.624 -82.3295 84.6377 154.295 PRESSAVG: 672200 24.6755 10.4473 -32.9234 10.4473 40.6813 -11.0714 -32.9234 -11.0714 -11.575 GPRESSAVG: 672200 24.8565 10.2449 -32.6732 10.3782 40.5926 -11.4255 -32.1475 -8.06636 -10.8522 TIMING: 672200 CPU: 2124.17, 0.00313949/step Wall: 2124.17, 0.00313949/step, 3.7742 hours remaining, 232.992188 MB of memory in use. ENERGY: 672200 3944.9894 20684.0798 14515.5524 246.1585 -203799.0993 2998.4063 0.0000 0.0000 51847.5566 -109562.3562 297.9686 -161409.9128 -109211.1638 298.5174 160.7834 191.7974 762923.0465 17.9273 18.1989 LDB: ============= START OF LOAD BALANCING ============== 2136.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2136.7 LDB: =============== DONE WITH MIGRATION ================ 2136.7 LDB: ============= START OF LOAD BALANCING ============== 2137.01 LDB: Largest compute 7060 load 0.031034 is 15.9% of average load 0.195179 LDB: Average compute 0.004413 is 2.3% of average load 0.195179 LDB: TIME 2137.02 LOAD: AVG 0.195179 MAX 0.210494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.301 MB LDB: TIME 2137.02 LOAD: AVG 0.195179 MAX 0.210494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.508 MB LDB: TIME 2137.02 LOAD: AVG 0.195179 MAX 0.210494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.508 MB LDB: ============== END OF LOAD BALANCING =============== 2137.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2137.02 PRESSURE: 672400 125.756 -72.5308 132.878 -72.5311 367.787 -126.914 132.879 -126.913 163.106 GPRESSURE: 672400 161.953 -20.4358 132.972 -8.98952 399.763 -133.428 -33.7843 -166.656 159.606 PRESSAVG: 672400 -18.7308 -37.2365 16.2018 -37.2365 -6.29716 -35.4037 16.2019 -35.4037 -14.2593 GPRESSAVG: 672400 -18.5659 -37.9034 16.8178 -36.3403 -6.29434 -35.2389 14.0416 -37.3825 -14.2893 TIMING: 672400 CPU: 2124.81, 0.00320604/step Wall: 2124.81, 0.00320604/step, 3.85402 hours remaining, 232.664062 MB of memory in use. ENERGY: 672400 3981.0093 20509.1786 14447.7052 232.4813 -203752.1032 3083.0941 0.0000 0.0000 51855.9987 -109642.6359 298.0171 -161498.6346 -109277.6123 298.1440 218.8829 240.4406 763051.2800 -13.0957 -13.0499 PRESSURE: 672600 -172.593 120.675 120.465 120.675 -50.0438 -163.112 120.466 -163.112 -17.454 GPRESSURE: 672600 -150.251 24.6701 192.155 141.609 27.9201 -194.635 69.5246 -193.621 -34.3732 PRESSAVG: 672600 18.3059 12.3439 31.7061 12.3439 -29.4252 36.0367 31.7062 36.0367 4.74971 GPRESSAVG: 672600 17.7556 12.995 30.407 12.2805 -29.8707 35.7674 32.7506 37.2514 5.62217 TIMING: 672600 CPU: 2125.43, 0.00311941/step Wall: 2125.43, 0.00311941/step, 3.7497 hours remaining, 232.664062 MB of memory in use. ENERGY: 672600 3939.0735 20401.6231 14513.9085 258.6861 -202993.5885 2490.6283 0.0000 0.0000 51658.7735 -109730.8956 296.8837 -161389.6690 -109360.7624 298.2259 -80.0303 -52.2347 763021.0907 -2.1232 -2.1643 PRESSURE: 672800 46.1313 -17.7968 127.171 -17.7963 128.745 -192.925 127.172 -192.925 -110.391 GPRESSURE: 672800 18.0337 5.28224 118.028 -133.707 194.826 -56.0881 147.212 -227.566 -70.7419 PRESSAVG: 672800 -29.6785 3.46602 27.7068 3.46598 20.5293 25.3345 27.7067 25.3345 6.20166 GPRESSAVG: 672800 -29.7427 3.17509 27.4094 2.01052 21.1306 26.3801 27.954 23.5824 5.36849 TIMING: 672800 CPU: 2126.06, 0.00312806/step Wall: 2126.06, 0.00312806/step, 3.75993 hours remaining, 232.664062 MB of memory in use. ENERGY: 672800 3968.8055 20406.1277 14528.0341 246.7786 -203629.2973 2979.2231 0.0000 0.0000 51805.4044 -109694.9239 297.7264 -161500.3283 -109336.0238 297.7934 21.4951 47.3725 763480.2039 -0.9825 -1.0812 PRESSURE: 673000 -131.001 51.388 -112.109 51.3887 338.157 -110.532 -112.109 -110.533 67.8096 GPRESSURE: 673000 -105.075 170.535 -90.5982 -32.9896 262.311 -116.312 -135.289 -5.62775 191.987 PRESSAVG: 673000 -10.1304 23.9765 -29.1883 23.9765 -13.8816 -29.5431 -29.1883 -29.543 -11.9354 GPRESSAVG: 673000 -12.191 23.6416 -30.2722 23.7356 -13.7527 -28.9844 -28.9225 -28.6141 -9.91263 TIMING: 673000 CPU: 2126.68, 0.00312038/step Wall: 2126.68, 0.00312038/step, 3.75052 hours remaining, 232.664062 MB of memory in use. ENERGY: 673000 3969.7828 20567.1787 14476.5130 251.3303 -203656.5150 2867.3207 0.0000 0.0000 51841.2262 -109683.1632 297.9322 -161524.3894 -109330.0959 298.1362 91.6551 116.4078 762774.1444 -11.9825 -11.9521 PRESSURE: 673200 -136.801 -31.6382 145.263 -31.6382 182.213 138.885 145.263 138.885 322.978 GPRESSURE: 673200 -25.3184 -103.07 136.869 -28.0724 194.152 11.2179 183.996 175.284 271.242 PRESSAVG: 673200 -15.1888 40.9591 -27.2505 40.9591 12.2226 -50.0137 -27.2505 -50.0138 -43.5888 GPRESSAVG: 673200 -13.6933 40.7467 -26.4264 42.0766 12.4866 -51.2617 -27.7977 -47.9626 -45.4379 TIMING: 673200 CPU: 2127.31, 0.0031482/step Wall: 2127.31, 0.0031482/step, 3.78379 hours remaining, 232.664062 MB of memory in use. ENERGY: 673200 4052.2972 20647.9638 14513.3958 247.5213 -203621.4993 2783.3542 0.0000 0.0000 51672.8493 -109704.1177 296.9646 -161376.9670 -109347.7256 297.9370 122.7967 146.6918 762940.4071 -15.5184 -15.5482 PRESSURE: 673400 -495.753 -4.99617 8.93025 -4.99632 21.9708 180.586 8.93038 180.587 -237.88 GPRESSURE: 673400 -387.11 90.117 33.7438 80.4081 29.4242 142.851 -24.701 224.792 -264.886 PRESSAVG: 673400 7.45299 9.64687 16.2575 9.64691 56.8463 5.18259 16.2574 5.18259 -7.72633 GPRESSAVG: 673400 8.7056 9.52127 16.8747 9.09572 56.5043 6.59532 14.5825 3.29193 -8.21242 TIMING: 673400 CPU: 2127.94, 0.00314904/step Wall: 2127.94, 0.00314904/step, 3.78462 hours remaining, 232.664062 MB of memory in use. ENERGY: 673400 4026.0651 20497.0735 14492.8291 264.5057 -203480.1009 2724.1143 0.0000 0.0000 51673.0201 -109802.4932 296.9656 -161475.5132 -109437.2496 298.0214 -237.2207 -207.5240 763058.4126 18.8576 18.9992 PRESSURE: 673600 536.465 115.474 -193.851 115.473 81.8243 21.156 -193.851 21.1561 -272.835 GPRESSURE: 673600 597.628 78.4266 -180.736 -16.7061 102.098 26.1979 -321.179 74.0437 -284.989 PRESSAVG: 673600 -5.81661 17.1388 21.6148 17.1388 -25.316 7.8409 21.6148 7.84093 -21.45 GPRESSAVG: 673600 -6.7651 17.3911 21.9658 17.6252 -25.2421 5.96252 23.4352 9.57563 -20.4251 TIMING: 673600 CPU: 2128.57, 0.00314139/step Wall: 2128.57, 0.00314139/step, 3.77526 hours remaining, 232.664062 MB of memory in use. ENERGY: 673600 4076.0258 20619.9883 14482.1305 262.1046 -203874.3527 2925.9582 0.0000 0.0000 51980.1982 -109527.9470 298.7309 -161508.1452 -109164.5398 298.5068 115.1514 138.2459 761485.1263 -17.5275 -17.4774 PRESSURE: 673800 -89.4434 113.855 29.3302 113.854 -298.591 -90.0618 29.3301 -90.062 -361.239 GPRESSURE: 673800 6.51175 206.875 -25.2308 65.563 -316.563 -22.7828 50.6153 -144.371 -360.375 PRESSAVG: 673800 78.6715 5.11875 -20.6035 5.11872 -72.9503 17.9736 -20.6036 17.9737 7.19078 GPRESSAVG: 673800 79.1708 6.48449 -20.4234 4.09599 -73.266 19.4452 -19.2625 17.3862 6.96295 TIMING: 673800 CPU: 2129.2, 0.00315215/step Wall: 2129.2, 0.00315215/step, 3.78801 hours remaining, 232.664062 MB of memory in use. ENERGY: 673800 3936.4489 20596.0452 14483.1642 258.4006 -203558.4116 2668.9367 0.0000 0.0000 51909.8986 -109705.5174 298.3269 -161615.4159 -109347.3804 298.6205 -249.7576 -223.4754 763739.4565 4.3040 4.2892 PRESSURE: 674000 215.923 -25.4058 77.444 -25.4056 -18.552 -44.3323 77.4441 -44.3312 -664.019 GPRESSURE: 674000 218.015 -15.3623 29.4101 -26.5033 -29.6997 8.56511 87.1046 -57.2246 -577.552 PRESSAVG: 674000 12.3234 15.1187 12.05 15.1187 -14.1034 -34.5362 12.05 -34.5362 1.31084 GPRESSAVG: 674000 12.1535 14.485 11.5018 16.9711 -13.8161 -35.256 10.8134 -38.1077 1.15969 TIMING: 674000 CPU: 2129.83, 0.00314422/step Wall: 2129.83, 0.00314422/step, 3.7783 hours remaining, 232.664062 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: 674000 3989.9523 20622.5451 14428.7070 257.1822 -203951.3223 2817.9840 0.0000 0.0000 52086.4938 -109748.4580 299.3418 -161834.9517 -109377.7620 298.1838 -155.5493 -129.7455 762451.5603 -0.1564 -0.1676 PRESSURE: 674200 82.3883 -22.0428 -70.2968 -22.0414 -65.8261 -79.9401 -70.2972 -79.9394 55.5283 GPRESSURE: 674200 96.3829 64.6592 -107.495 -113.472 -53.4923 -69.513 -85.388 96.109 147.331 PRESSAVG: 674200 32.6405 -27.0303 5.75599 -27.0303 -8.09396 -82.2047 5.75609 -82.2048 -3.11331 GPRESSAVG: 674200 32.2697 -27.0813 6.40591 -27.2233 -8.62131 -82.5115 5.0745 -79.0469 -2.45438 TIMING: 674200 CPU: 2130.46, 0.00315437/step Wall: 2130.46, 0.00315437/step, 3.79032 hours remaining, 232.664062 MB of memory in use. ENERGY: 674200 4033.2390 20405.6486 14488.3411 247.9202 -203658.0288 2971.1470 0.0000 0.0000 51748.5506 -109763.1823 297.3996 -161511.7329 -109407.8760 298.2970 24.0302 63.4071 762636.5777 7.1444 7.0647 PRESSURE: 674400 192.763 -178.708 71.8668 -178.708 97.7317 -337.971 71.8667 -337.972 123.084 GPRESSURE: 674400 252.668 -114.53 85.851 -174.564 144.867 -343.125 48.7492 -171.268 109.445 PRESSAVG: 674400 16.5403 -30.2961 7.366 -30.2961 0.675286 -23.8332 7.36602 -23.8331 -9.40287 GPRESSAVG: 674400 15.8495 -31.3186 6.31972 -29.3626 0.123221 -23.4339 9.39727 -23.5631 -8.37037 TIMING: 674400 CPU: 2131.09, 0.00313661/step Wall: 2131.09, 0.00313661/step, 3.76881 hours remaining, 232.664062 MB of memory in use. ENERGY: 674400 3992.2704 20419.6639 14498.2132 254.6557 -204378.7734 3320.4367 0.0000 0.0000 51970.5259 -109923.0076 298.6753 -161893.5336 -109557.5185 298.1715 137.8597 168.9929 761664.7680 2.6042 2.5341 PRESSURE: 674600 -173.375 -117.788 82.09 -117.787 -306.65 -143.292 82.0897 -143.293 106.169 GPRESSURE: 674600 -242.193 -156.299 39.5421 -27.498 -145.085 -208.623 86.1613 -155.108 93.2361 PRESSAVG: 674600 -6.37502 25.6505 -12.6788 25.6505 -29.2302 20.4536 -12.6788 20.4536 21.2698 GPRESSAVG: 674600 -6.03377 25.9399 -13.0518 24.5727 -28.3399 21.122 -11.1643 20.5292 20.009 TIMING: 674600 CPU: 2131.72, 0.00314884/step Wall: 2131.72, 0.00314884/step, 3.78334 hours remaining, 232.664062 MB of memory in use. ENERGY: 674600 4017.0166 20339.0729 14511.0081 254.0065 -203338.3184 2665.4703 0.0000 0.0000 51799.0382 -109752.7058 297.6898 -161551.7440 -109382.8639 298.0240 -124.6185 -98.0137 763861.6219 -4.7785 -4.7882 PRESSURE: 674800 137.59 -128.674 -1.66444 -128.675 -72.7583 -47.2875 -1.66503 -47.287 214.481 GPRESSURE: 674800 140.203 -31.689 105.664 -76.2267 -9.59519 -62.5085 -46.909 2.34062 223.498 PRESSAVG: 674800 11.6738 -15.0907 14.5001 -15.0907 26.618 -21.7285 14.5001 -21.7286 -21.4025 GPRESSAVG: 674800 12.2092 -13.1378 16.6909 -14.6726 27.0548 -23.0034 10.7279 -22.303 -22.229 TIMING: 674800 CPU: 2132.34, 0.00314254/step Wall: 2132.34, 0.00314254/step, 3.77559 hours remaining, 232.664062 MB of memory in use. ENERGY: 674800 3935.8060 20496.8181 14485.4101 248.0028 -203702.4532 2903.5699 0.0000 0.0000 52014.1720 -109618.6744 298.9262 -161632.8464 -109256.2030 297.9740 93.1042 118.0354 762247.5818 5.6298 5.6784 PRESSURE: 675000 -193.893 229.405 -146.356 229.405 -30.0372 -125.092 -146.355 -125.091 -223.286 GPRESSURE: 675000 -176.085 189.568 -91.7897 111.799 54.0693 -195.439 -97.7837 -2.06082 -231.643 PRESSAVG: 675000 -8.854 18.5029 24.4097 18.5028 28.5509 18.8526 24.4098 18.8526 -6.90182 GPRESSAVG: 675000 -8.27893 17.0946 23.095 16.6448 27.255 18.0261 27.1518 18.9461 -6.4171 TIMING: 675000 CPU: 2132.97, 0.00313526/step Wall: 2132.97, 0.00313526/step, 3.76667 hours remaining, 232.664062 MB of memory in use. ENERGY: 675000 3982.9976 20557.2657 14473.3407 239.9330 -203660.3537 2983.4389 0.0000 0.0000 51949.5730 -109473.8048 298.5549 -161423.3778 -109105.8581 298.6281 -149.0720 -117.8862 762755.8142 4.2650 4.1863 PRESSURE: 675200 -173.884 12.487 -215.621 12.4877 -133.216 -21.8531 -215.62 -21.8522 213.536 GPRESSURE: 675200 -133.775 -31.4658 -190.27 -131.765 -75.0619 49.2115 -62.981 -55.7823 192.839 PRESSAVG: 675200 -1.31771 28.9378 -3.06682 28.9379 -12.2857 -36.607 -3.06686 -36.607 -3.77552 GPRESSAVG: 675200 -1.695 31.4975 -1.83039 29.7601 -11.2415 -34.2766 -4.44183 -38.4447 -4.11294 TIMING: 675200 CPU: 2133.6, 0.00314114/step Wall: 2133.6, 0.00314114/step, 3.77355 hours remaining, 232.664062 MB of memory in use. ENERGY: 675200 4082.5408 20475.2781 14552.5555 261.0656 -203579.3145 3003.6082 0.0000 0.0000 52091.5714 -109112.6949 299.3710 -161204.2663 -108768.3583 298.8753 -31.1880 -5.3327 763512.8736 -5.7930 -5.6831 PRESSURE: 675400 -65.7026 -180.43 -68.7711 -180.431 124.429 213.194 -68.7717 213.194 28.2782 GPRESSURE: 675400 33.9242 -187.601 -60.509 -180.312 83.3829 279.59 34.3963 102.373 53.0065 PRESSAVG: 675400 -10.2988 -2.9676 -68.9805 -2.96757 24.9086 -23.3804 -68.9805 -23.3803 14.5227 GPRESSAVG: 675400 -10.7467 -4.24556 -71.4591 -1.39025 25.3343 -24.6087 -68.4254 -23.0605 14.5673 TIMING: 675400 CPU: 2134.23, 0.00313154/step Wall: 2134.23, 0.00313154/step, 3.76185 hours remaining, 232.664062 MB of memory in use. ENERGY: 675400 3964.3874 20632.3009 14475.0155 267.4533 -203165.7788 2617.1044 0.0000 0.0000 52174.6612 -109034.8562 299.8485 -161209.5173 -108673.6443 299.5720 29.0017 56.7712 763621.8706 9.7108 9.7183 PRESSURE: 675600 103.351 -239.201 -51.1607 -239.201 -156.215 -86.2485 -51.1604 -86.2483 48.3131 GPRESSURE: 675600 76.7872 -179.136 -4.46267 -301.295 -156.898 -60.9151 -202.041 -66.0922 153.883 PRESSAVG: 675600 -29.7659 -13.989 -53.4222 -13.989 2.43731 2.07006 -53.4222 2.06996 6.47922 GPRESSAVG: 675600 -28.6801 -14.8185 -50.8877 -11.9984 1.46982 1.25128 -55.2321 2.05 7.00405 TIMING: 675600 CPU: 2134.85, 0.00313433/step Wall: 2134.85, 0.00313433/step, 3.76502 hours remaining, 232.664062 MB of memory in use. ENERGY: 675600 3999.5972 20608.8350 14449.1787 246.1662 -203268.0550 2658.2454 0.0000 0.0000 52303.6046 -109002.4279 300.5895 -161306.0325 -108644.7933 299.5021 -1.5167 24.5907 762553.7614 -6.9498 -6.7354 PRESSURE: 675800 -148.65 -131.349 -57.3197 -131.349 64.4928 43.3386 -57.3193 43.3384 471.655 GPRESSURE: 675800 -89.2303 -63.1048 -37.6549 -162.873 100.955 12.4723 -3.41019 -69.9653 437.123 PRESSAVG: 675800 28.1802 5.34052 -36.6936 5.34039 -21.4188 24.7852 -36.6936 24.7852 20.0674 GPRESSAVG: 675800 27.6257 6.7682 -37.4924 1.35751 -20.3513 26.2422 -35.4252 26.2681 19.4722 TIMING: 675800 CPU: 2135.48, 0.00314849/step Wall: 2135.48, 0.00314849/step, 3.78186 hours remaining, 232.664062 MB of memory in use. ENERGY: 675800 3944.9319 20514.4907 14523.1644 259.4593 -203336.9752 2747.7021 0.0000 0.0000 52187.3670 -109159.8598 299.9215 -161347.2268 -108793.2609 299.6895 129.1661 149.6161 762106.6811 8.9430 8.9155 PRESSURE: 676000 219.635 91.202 90.9496 91.2016 275.329 203.727 90.9504 203.727 110.636 GPRESSURE: 676000 244.396 60.5378 134.725 68.4318 286.718 165.509 139.441 91.5986 148.067 PRESSAVG: 676000 28.8327 44.538 42.1048 44.538 -10.7734 57.7963 42.1048 57.7963 12.037 GPRESSAVG: 676000 28.878 43.7127 43.4447 43.0023 -12.1669 58.3274 43.063 56.6293 13.1209 TIMING: 676000 CPU: 2136.11, 0.00313421/step Wall: 2136.11, 0.00313421/step, 3.76453 hours remaining, 232.664062 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: 676000 4017.5768 20583.6528 14549.9352 262.4702 -203337.9568 2811.6609 0.0000 0.0000 51890.4682 -109222.1927 298.2152 -161112.6609 -108869.3760 299.9634 201.8667 226.3936 761182.4826 10.0321 9.9440 PRESSURE: 676200 -204.095 41.521 29.0462 41.5217 30.7531 -91.2789 29.0463 -91.2801 240.871 GPRESSURE: 676200 -107.122 24.0573 -68.0409 -55.2654 114.138 -143.693 79.739 0.491447 159.898 PRESSAVG: 676200 15.086 -9.45692 -0.783794 -9.45698 19.3218 13.0725 -0.783732 13.0724 -17.1376 GPRESSAVG: 676200 14.3895 -11.4192 -3.26951 -6.85133 20.9046 12.992 -0.883175 14.8825 -17.7802 TIMING: 676200 CPU: 2136.74, 0.00314919/step Wall: 2136.74, 0.00314919/step, 3.78235 hours remaining, 232.664062 MB of memory in use. ENERGY: 676200 3944.4211 20421.2234 14538.4372 263.6453 -203559.1487 2991.7623 0.0000 0.0000 51923.5475 -109476.1118 298.4053 -161399.6593 -109115.0003 298.7166 22.5095 55.6378 761913.6294 5.7567 5.8380 LDB: ============= START OF LOAD BALANCING ============== 2149.27 LDB: ============== END OF LOAD BALANCING =============== 2149.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2149.27 LDB: ============= START OF LOAD BALANCING ============== 2149.59 LDB: Largest compute 7031 load 0.029176 is 14.9% of average load 0.195249 LDB: Average compute 0.004414 is 2.3% of average load 0.195249 LDB: TIME 2149.59 LOAD: AVG 0.195249 MAX 0.213257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.922 MB LDB: TIME 2149.59 LOAD: AVG 0.195249 MAX 0.213257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233 MB LDB: TIME 2149.59 LOAD: AVG 0.195249 MAX 0.213257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233 MB LDB: ============== END OF LOAD BALANCING =============== 2149.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2149.6 PRESSURE: 676400 249.095 56.1866 -117.225 56.1873 354.014 -31.2454 -117.225 -31.246 -185.482 GPRESSURE: 676400 298.465 61.6175 -171.99 22.7699 319.232 -20.1707 -135.252 -64.9277 -115.826 PRESSAVG: 676400 49.014 7.25407 8.14484 7.25416 36.8605 14.3741 8.14483 14.3741 10.2251 GPRESSAVG: 676400 49.3149 7.36951 9.02293 8.69051 36.1538 15.3002 8.4439 13.5144 10.1764 TIMING: 676400 CPU: 2137.38, 0.00321358/step Wall: 2137.38, 0.00321358/step, 3.8595 hours remaining, 235.488281 MB of memory in use. ENERGY: 676400 4047.2966 20386.6562 14470.3549 238.9266 -203705.5467 2974.7062 0.0000 0.0000 52087.1815 -109500.4247 299.3457 -161587.6062 -109135.5810 298.9349 139.2092 167.2906 763137.9283 32.0332 31.8817 PRESSURE: 676600 126.883 119.209 147.276 119.209 150 -149.324 147.277 -149.324 -1.39587 GPRESSURE: 676600 92.691 40.7434 78.1669 194.299 289.659 -67.2207 169.473 -123.666 -13.8535 PRESSAVG: 676600 13.4169 6.19609 -19.5526 6.19618 17.4057 -23.4582 -19.5526 -23.4582 27.4344 GPRESSAVG: 676600 13.2171 7.46753 -18.6847 4.62773 17.5424 -25.519 -21.7182 -22.7421 27.5715 TIMING: 676600 CPU: 2138.01, 0.00313385/step Wall: 2138.01, 0.00313385/step, 3.76358 hours remaining, 236.214844 MB of memory in use. ENERGY: 676600 3975.8580 20459.8495 14513.2569 238.0972 -203452.8976 2780.3486 0.0000 0.0000 51886.3497 -109599.1377 298.1916 -161485.4874 -109225.6031 298.5111 91.8290 122.8320 761860.1257 19.4190 19.4437 PRESSURE: 676800 94.507 55.7413 -68.1634 55.7412 -251.533 17.012 -68.1638 17.012 -70.8222 GPRESSURE: 676800 83.8995 117.277 -44.7179 50.348 -211.929 45.0178 -17.7118 -31.5832 -19.8951 PRESSAVG: 676800 10.0092 -21.0877 45.5667 -21.0877 53.7183 26.321 45.5666 26.321 17.5066 GPRESSAVG: 676800 10.0095 -20.333 44.0273 -21.5003 52.8157 27.9355 47.9612 24.8755 18.2437 TIMING: 676800 CPU: 2138.64, 0.00315942/step Wall: 2138.64, 0.00315942/step, 3.79412 hours remaining, 236.214844 MB of memory in use. ENERGY: 676800 3984.2045 20656.5040 14568.3817 251.4588 -203534.9547 2655.3919 0.0000 0.0000 51766.6563 -109652.3575 297.5037 -161419.0138 -109303.0440 298.5247 -75.9495 -49.3081 761066.6000 27.0780 27.0230 PRESSURE: 677000 -5.7154 -112.341 36.3692 -112.341 -41.7372 26.8221 36.3679 26.8224 -228.248 GPRESSURE: 677000 -22.9992 -161.101 108.388 50.4953 45.8763 -55.7792 8.47791 54.7022 -227.35 PRESSAVG: 677000 29.6175 -11.4752 -9.10808 -11.4752 24.1211 10.5854 -9.10812 10.5853 2.20609 GPRESSAVG: 677000 30.3063 -12.3173 -7.11495 -9.82536 23.9146 7.60654 -10.0265 10.3139 1.79129 TIMING: 677000 CPU: 2139.27, 0.00316554/step Wall: 2139.27, 0.00316554/step, 3.80128 hours remaining, 236.214844 MB of memory in use. ENERGY: 677000 4032.3452 20696.7434 14504.3718 231.9253 -203874.4659 3125.4448 0.0000 0.0000 51612.2015 -109671.4340 296.6160 -161283.6355 -109318.2313 298.1581 -91.9002 -68.1576 761647.1531 18.6482 18.6707 PRESSURE: 677200 -292.951 -12.7695 79.5382 -12.7692 -618.852 -109.679 79.5382 -109.679 -277.015 GPRESSURE: 677200 -240.186 15.821 31.1794 11.1693 -566.259 -16.9064 79.6251 -51.8081 -309.224 PRESSAVG: 677200 15.9215 -17.1455 -13.7053 -17.1455 -17.3337 9.50822 -13.7052 9.50824 -1.07183 GPRESSAVG: 677200 15.4061 -16.8675 -14.0727 -19.1707 -16.6922 10.9832 -12.3798 11.3775 -1.382 TIMING: 677200 CPU: 2139.9, 0.00314883/step Wall: 2139.9, 0.00314883/step, 3.78105 hours remaining, 236.214844 MB of memory in use. ENERGY: 677200 3955.6578 20643.6928 14501.2641 235.6250 -204105.3577 2974.5158 0.0000 0.0000 51960.5967 -109834.0055 298.6183 -161794.6022 -109466.3573 297.8811 -396.2724 -371.8899 762760.7829 -0.8280 -0.8894 PRESSURE: 677400 -36.6991 -76.8747 136.187 -76.8751 -379.495 -1.65631 136.186 -1.65603 132.421 GPRESSURE: 677400 -36.1313 -107.861 -6.77597 -29.2129 -293.08 18.7542 67.3461 64.6088 126.105 PRESSAVG: 677400 31.2751 -36.9213 -21.7389 -36.9213 -66.4276 76.4003 -21.7389 76.4003 -21.3361 GPRESSAVG: 677400 30.914 -37.4243 -22.5629 -34.9495 -66.4264 75.2663 -23.4008 75.9412 -20.1695 TIMING: 677400 CPU: 2140.53, 0.00316044/step Wall: 2140.53, 0.00316044/step, 3.79481 hours remaining, 236.214844 MB of memory in use. ENERGY: 677400 3949.4014 20726.0331 14472.3876 244.9910 -204009.8477 2903.7864 0.0000 0.0000 51905.0495 -109808.1986 298.2990 -161713.2482 -109444.7094 297.9082 -94.5910 -67.7022 762826.6938 -18.8295 -18.5606 PRESSURE: 677600 -9.33221 -170.468 -82.8476 -170.468 111.947 115.742 -82.8474 115.742 33.7695 GPRESSURE: 677600 39.261 -74.8992 -19.0375 -193.211 84.0059 94.0404 -92.5725 80.9027 82.4918 PRESSAVG: 677600 21.703 -4.5011 -32.9559 -4.50108 -15.505 -11.3733 -32.9559 -11.3732 2.20355 GPRESSAVG: 677600 22.8974 -3.05072 -31.7156 -5.9448 -16.9564 -11.5011 -34.2893 -10.0167 2.16761 TIMING: 677600 CPU: 2141.17, 0.00318417/step Wall: 2141.17, 0.00318417/step, 3.82313 hours remaining, 236.214844 MB of memory in use. ENERGY: 677600 3938.1280 20489.3671 14468.3142 251.2502 -203580.7299 2795.6392 0.0000 0.0000 51888.6147 -109749.4165 298.2046 -161638.0312 -109376.9993 298.6017 45.4615 68.5862 761389.0075 2.8005 2.7029 PRESSURE: 677800 -227.132 -107.865 -136.526 -107.865 256.777 91.5404 -136.526 91.5408 182.254 GPRESSURE: 677800 -57.0501 -23.909 -188.831 -159.096 224.036 9.14141 -240.769 -18.5365 131.037 PRESSAVG: 677800 10.1766 -14.2016 -8.30843 -14.2016 7.1569 28.3884 -8.30833 28.3884 -16.3923 GPRESSAVG: 677800 10.3355 -14.3876 -9.61932 -14.9659 7.795 29.3037 -7.72163 26.5851 -17.4195 TIMING: 677800 CPU: 2141.8, 0.00315573/step Wall: 2141.8, 0.00315573/step, 3.7888 hours remaining, 236.214844 MB of memory in use. ENERGY: 677800 3914.6152 20560.1778 14509.2908 233.0872 -203743.2072 2846.0768 0.0000 0.0000 51868.2556 -109811.7037 298.0876 -161679.9593 -109451.0969 298.4458 70.6326 99.3410 761225.5881 0.3137 0.2370 PRESSURE: 678000 171.476 121.513 227.723 121.514 101.623 -255.757 227.723 -255.756 -113.709 GPRESSURE: 678000 131.575 68.4239 171.275 69.3646 194.159 -238.652 268.094 -280.537 -86.3525 PRESSAVG: 678000 3.61075 -31.3601 -13.9031 -31.36 -40.7956 -23.3071 -13.9031 -23.3071 -4.70013 GPRESSAVG: 678000 3.56716 -33.1157 -14.8388 -29.5849 -41.3288 -23.256 -13.7916 -22.8714 -3.97605 TIMING: 678000 CPU: 2142.43, 0.00315432/step Wall: 2142.43, 0.00315432/step, 3.78694 hours remaining, 236.214844 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: 678000 3975.1423 20543.8181 14490.7847 262.7272 -203721.3990 2585.2427 0.0000 0.0000 52135.1059 -109728.5781 299.6212 -161863.6840 -109357.6067 298.1250 53.1302 79.7940 761709.5094 -13.9617 -13.9126 PRESSURE: 678200 209.466 -152.595 -73.1038 -152.594 -207.603 222.38 -73.1045 222.38 385.05 GPRESSURE: 678200 239.684 -148.365 -122.868 2.04045 -116.723 210.272 -19.7203 189.98 355.786 PRESSAVG: 678200 -2.92841 -13.7241 -23.2613 -13.7242 -27.0613 49.9967 -23.2613 49.9967 17.9786 GPRESSAVG: 678200 -3.0018 -12.6135 -21.2293 -15.4181 -25.9927 50.9824 -20.9591 49.1982 17.1157 TIMING: 678200 CPU: 2143.06, 0.00313401/step Wall: 2143.06, 0.00313401/step, 3.76238 hours remaining, 236.214844 MB of memory in use. ENERGY: 678200 4049.4913 20586.6107 14475.1351 245.1628 -203529.3739 2835.5334 0.0000 0.0000 51757.5133 -109579.9272 297.4511 -161337.4405 -109224.8562 298.2895 128.9712 159.5825 762659.2987 -4.0037 -3.9596 PRESSURE: 678400 134.496 190.536 4.44893 190.535 211.913 -91.4769 4.44892 -91.477 -101.954 GPRESSURE: 678400 137.161 120.753 104.91 165.738 280.483 -91.7187 81.6014 -156.627 -91.302 PRESSAVG: 678400 48.7866 -11.0552 12.2154 -11.0553 -71.6387 63.1951 12.2153 63.1951 11.3123 GPRESSAVG: 678400 49.2819 -9.72575 11.7983 -10.5471 -72.3087 62.5123 10.569 63.1203 11.5317 TIMING: 678400 CPU: 2143.69, 0.00313502/step Wall: 2143.69, 0.00313502/step, 3.76342 hours remaining, 236.214844 MB of memory in use. ENERGY: 678400 4003.7121 20509.6019 14488.7430 255.4200 -203542.5367 2823.2115 0.0000 0.0000 51980.4546 -109481.3935 298.7324 -161461.8481 -109120.3283 298.7296 81.4847 108.7805 762399.1467 -3.8466 -3.8317 PRESSURE: 678600 360.671 18.5446 225.91 18.5443 88.1373 -160.376 225.909 -160.377 93.8459 GPRESSURE: 678600 357.329 74.2871 201.433 -40.1765 176.998 -289.113 148.559 -11.2551 87.9565 PRESSAVG: 678600 42.8049 -0.635221 49.8947 -0.635246 -31.7831 -14.403 49.8947 -14.4029 -1.19128 GPRESSAVG: 678600 43.4731 -0.83571 48.5097 0.115182 -31.8437 -13.5968 49.0454 -14.7726 -1.34808 TIMING: 678600 CPU: 2144.32, 0.00314797/step Wall: 2144.32, 0.00314797/step, 3.77879 hours remaining, 236.214844 MB of memory in use. ENERGY: 678600 3983.4623 20577.8877 14514.6520 229.7210 -204072.4451 3189.4481 0.0000 0.0000 52163.6859 -109413.5880 299.7854 -161577.2740 -109055.7539 298.7697 180.8847 207.4279 762813.5639 3.2768 3.4271 PRESSURE: 678800 340.09 30.4214 -288.014 30.4215 -166.796 -75.0785 -288.014 -75.0789 147.896 GPRESSURE: 678800 326.79 -75.0233 -310.531 50.2773 -56.7789 -78.9979 -76.1324 -104.403 95.3808 PRESSAVG: 678800 51.3222 7.21298 -43.7543 7.21299 -64.2363 7.19587 -43.7543 7.19582 3.3809 GPRESSAVG: 678800 51.0702 8.26279 -44.5176 6.12573 -64.989 7.23181 -41.162 7.91647 4.38964 TIMING: 678800 CPU: 2144.95, 0.00315861/step Wall: 2144.95, 0.00315861/step, 3.79139 hours remaining, 236.214844 MB of memory in use. ENERGY: 678800 3941.8876 20647.4178 14465.0846 230.8567 -203252.9686 2578.4691 0.0000 0.0000 51948.4419 -109440.8109 298.5484 -161389.2528 -109077.4275 298.6300 107.0634 121.7972 764699.3418 -3.1777 -3.1764 PRESSURE: 679000 -135.53 -28.2692 -150.723 -28.2692 -256.693 24.971 -150.723 24.972 320.64 GPRESSURE: 679000 -85.0936 -67.2859 -231.653 -60.6098 -163.932 3.81212 -183.244 51.9863 261.116 PRESSAVG: 679000 10.905 -7.8266 -24.6767 -7.82655 -6.67557 22.7341 -24.6767 22.7341 -11.5407 GPRESSAVG: 679000 10.3078 -10.1631 -23.7127 -7.54645 -6.15396 23.331 -24.0557 21.8912 -12.2694 TIMING: 679000 CPU: 2145.58, 0.00315929/step Wall: 2145.58, 0.00315929/step, 3.79203 hours remaining, 236.214844 MB of memory in use. ENERGY: 679000 4032.1541 20474.8720 14512.3573 232.1039 -203910.4386 2936.7074 0.0000 0.0000 52193.5061 -109528.7379 299.9568 -161722.2440 -109161.8170 298.5910 -23.8610 4.0299 762059.9776 -2.4371 -2.7052 PRESSURE: 679200 172.046 2.80179 37.6459 2.80161 -1.28982 65.7695 37.6461 65.7714 -101.867 GPRESSURE: 679200 270.628 10.3001 -8.35057 19.9121 7.17287 67.5293 57.618 -0.58667 -106.63 PRESSAVG: 679200 -23.1249 -20.0678 21.8386 -20.0679 1.24752 13.7257 21.8386 13.7257 10.7901 GPRESSAVG: 679200 -23.2174 -19.8563 22.645 -20.2165 1.55953 13.4817 17.9128 13.4524 10.4148 TIMING: 679200 CPU: 2146.21, 0.00314642/step Wall: 2146.21, 0.00314642/step, 3.7764 hours remaining, 236.214844 MB of memory in use. ENERGY: 679200 3949.8439 20615.6086 14479.0793 258.6163 -203388.8244 2763.0253 0.0000 0.0000 51889.6430 -109433.0079 298.2105 -161322.6509 -109065.9926 299.2863 22.9631 57.0570 762504.7063 -3.6958 -3.7477 PRESSURE: 679400 38.4673 134.076 -225.069 134.075 -51.283 157.272 -225.07 157.271 180.831 GPRESSURE: 679400 89.9999 154.908 -298.85 63.1153 -75.5516 132.835 -195.36 131.256 233.283 PRESSAVG: 679400 60.581 47.6029 -13.7431 47.6029 -5.14808 69.9399 -13.7432 69.9399 18.9951 GPRESSAVG: 679400 59.534 46.6217 -12.5965 45.6236 -5.04365 69.1461 -14.2234 71.3236 19.7685 TIMING: 679400 CPU: 2146.84, 0.00314192/step Wall: 2146.84, 0.00314192/step, 3.77082 hours remaining, 236.214844 MB of memory in use. ENERGY: 679400 3885.2694 20444.1915 14555.7623 221.1239 -203580.7246 2621.9345 0.0000 0.0000 52347.8054 -109504.6376 300.8436 -161852.4430 -109135.6909 299.0657 56.0050 82.5772 761402.6476 24.8093 24.7530 PRESSURE: 679600 -292.206 -79.6309 51.8161 -79.6297 297.309 -112.448 51.8165 -112.447 -53.4052 GPRESSURE: 679600 -312.869 -91.6106 212.33 -59.7503 407.518 -52.1936 70.281 -179.508 -65.1136 PRESSAVG: 679600 10.4072 -44.028 23.2478 -44.028 -30.8619 -18.145 23.2478 -18.145 10.939 GPRESSAVG: 679600 10.5271 -42.639 22.8638 -41.7376 -31.2078 -17.0702 26.0933 -19.4271 11.1254 TIMING: 679600 CPU: 2147.47, 0.00315937/step Wall: 2147.47, 0.00315937/step, 3.7916 hours remaining, 236.214844 MB of memory in use. ENERGY: 679600 4047.6101 20496.4659 14470.6983 243.6315 -203761.2259 2753.4270 0.0000 0.0000 52292.3551 -109457.0379 300.5249 -161749.3930 -109088.9660 299.0580 -16.1009 9.8452 761493.6113 -3.1719 -3.1851 PRESSURE: 679800 23.4918 65.6613 -93.7778 65.6612 175.917 -148.446 -93.778 -148.446 199.056 GPRESSURE: 679800 59.3973 102.81 -96.9938 50.8748 199.815 -204.013 -253.338 -148.511 223.601 PRESSAVG: 679800 26.159 -36.0429 39.1243 -36.043 -5.07968 6.04643 39.1243 6.04644 -15.0822 GPRESSAVG: 679800 26.6365 -35.1709 37.8753 -35.8548 -3.95533 5.36844 37.2963 5.83015 -16.4394 TIMING: 679800 CPU: 2148.1, 0.0031568/step Wall: 2148.1, 0.0031568/step, 3.78833 hours remaining, 236.214844 MB of memory in use. ENERGY: 679800 3955.2190 20772.3238 14490.2669 251.0702 -203465.0489 2924.6780 0.0000 0.0000 51656.3185 -109415.1726 296.8696 -161071.4911 -109063.3447 298.7306 132.8215 160.9378 761302.3827 1.9990 2.0806 PRESSURE: 680000 -112.551 63.391 26.6214 63.3905 -63.8562 -173.119 26.6204 -173.12 188.689 GPRESSURE: 680000 -115.895 4.67096 16.5211 4.3737 95.9341 -92.9847 -6.73781 -229.618 133.001 PRESSAVG: 680000 24.0555 38.384 -50.169 38.384 24.0512 -37.0886 -50.169 -37.0885 20.3436 GPRESSAVG: 680000 22.7552 35.3938 -49.7067 36.8834 23.8847 -37.9597 -49.6567 -36.0528 21.5486 TIMING: 680000 CPU: 2148.73, 0.00314663/step Wall: 2148.73, 0.00314663/step, 3.77596 hours remaining, 236.203125 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: 680000 4007.0814 20568.8014 14541.3892 247.3919 -203739.1502 2992.4255 0.0000 0.0000 51704.8644 -109677.1964 297.1486 -161382.0609 -109316.7589 298.4308 4.0939 37.6803 763622.4375 22.8168 22.7295 PRESSURE: 680200 -15.7127 -73.5774 -192.621 -73.5768 17.608 -37.5086 -192.621 -37.5094 -21.1747 GPRESSURE: 680200 50.8729 -45.6956 -226.45 -36.1565 7.38305 3.45727 -282.855 -78.6872 -3.82017 PRESSAVG: 680200 29.5756 37.6969 -11.8197 37.6969 -35.3392 -23.8362 -11.8196 -23.8362 -20.5342 GPRESSAVG: 680200 29.7689 39.544 -11.4347 39.3881 -35.4442 -22.5889 -12.9359 -24.7789 -20.6951 TIMING: 680200 CPU: 2149.36, 0.00314952/step Wall: 2149.36, 0.00314952/step, 3.77925 hours remaining, 236.203125 MB of memory in use. ENERGY: 680200 3904.8838 20438.3589 14529.9902 216.1202 -203439.6432 2882.2819 0.0000 0.0000 51716.8339 -109751.1742 297.2174 -161468.0081 -109381.3837 297.7742 -6.4265 18.1453 765038.3429 -8.7659 -8.7901 LDB: ============= START OF LOAD BALANCING ============== 2161.89 LDB: ============== END OF LOAD BALANCING =============== 2161.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2161.89 LDB: ============= START OF LOAD BALANCING ============== 2162.21 LDB: Largest compute 7060 load 0.031979 is 16.4% of average load 0.195331 LDB: Average compute 0.004380 is 2.2% of average load 0.195331 LDB: TIME 2162.21 LOAD: AVG 0.195331 MAX 0.215305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.723 MB LDB: TIME 2162.21 LOAD: AVG 0.195331 MAX 0.215305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 2162.21 LOAD: AVG 0.195331 MAX 0.215305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 2162.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2162.22 PRESSURE: 680400 -143.95 12.2087 -67.9863 12.2084 26.3088 134.301 -67.9867 134.301 -588.222 GPRESSURE: 680400 -185.239 106.691 -104.971 9.52495 100.863 46.7904 -30.5884 90.8813 -521.755 PRESSAVG: 680400 -4.12614 -14.4664 -19.1921 -14.4664 -17.1255 -20.5019 -19.192 -20.5019 10.3336 GPRESSAVG: 680400 -3.8835 -15.0693 -20.5949 -14.525 -17.3557 -21.5425 -17.6204 -23.8645 10.2674 TIMING: 680400 CPU: 2150, 0.00321945/step Wall: 2150, 0.00321945/step, 3.86298 hours remaining, 233.378906 MB of memory in use. ENERGY: 680400 3864.6179 20538.7014 14436.5155 252.3238 -203290.9420 2556.7140 0.0000 0.0000 51672.7059 -109969.3634 296.9638 -161642.0693 -109606.0829 297.5717 -235.2878 -202.0437 765186.5077 -3.6394 -3.6573 PRESSURE: 680600 265.748 -211.404 14.3189 -211.403 136.718 -177.972 14.3178 -177.973 522.158 GPRESSURE: 680600 312.193 -287.513 -16.5513 -148.729 147.333 -174.489 36.7753 -74.0299 532.205 PRESSAVG: 680600 20.1943 1.96687 -44.8435 1.96676 -37.9425 -46.5906 -44.8434 -46.5907 13.3122 GPRESSAVG: 680600 21.085 1.76273 -44.1065 2.57108 -37.9631 -45.7237 -45.8428 -45.3609 12.8805 TIMING: 680600 CPU: 2150.63, 0.00315053/step Wall: 2150.63, 0.00315053/step, 3.78011 hours remaining, 233.437500 MB of memory in use. ENERGY: 680600 4032.0951 20464.0074 14495.4649 246.7751 -203599.5838 2684.5868 0.0000 0.0000 51785.4951 -109891.1594 297.6120 -161676.6545 -109523.8469 297.3834 308.2079 330.5771 762927.7469 -1.4787 -1.3325 PRESSURE: 680800 40.3746 62.0618 86.1316 62.0622 -117.373 -115.38 86.1317 -115.381 -265.524 GPRESSURE: 680800 66.6551 51.8373 33.042 -17.1493 28.4319 -156.902 59.7098 -75.0802 -353.452 PRESSAVG: 680800 56.6859 -26.153 -19.2172 -26.153 -3.30711 6.35988 -19.2172 6.35989 -20.039 GPRESSAVG: 680800 56.5608 -26.5172 -22.0867 -27.9055 -2.82067 5.855 -17.5092 8.51936 -20.2715 TIMING: 680800 CPU: 2151.27, 0.00316312/step Wall: 2151.27, 0.00316312/step, 3.79504 hours remaining, 233.503906 MB of memory in use. ENERGY: 680800 3943.5697 20357.9154 14485.7361 235.1039 -203552.0558 2752.8420 0.0000 0.0000 51893.2943 -109883.5944 298.2315 -161776.8887 -109521.4453 297.6680 -114.1738 -86.1218 763369.7271 11.1132 11.1562 PRESSURE: 681000 -99.2895 26.1462 -324.286 26.1467 110.082 -181.535 -324.286 -181.534 286.924 GPRESSURE: 681000 -39.9726 -101.194 -394.858 -71.4912 159.751 -216.476 -247.127 -70.0122 255.454 PRESSAVG: 681000 -5.10632 -32.0885 4.51577 -32.0885 -55.861 24.6203 4.51575 24.6202 40.6012 GPRESSAVG: 681000 -4.92815 -30.6744 7.8982 -33.4195 -56.5683 26.2853 3.63121 22.8879 41.3198 TIMING: 681000 CPU: 2151.9, 0.00316721/step Wall: 2151.9, 0.00316721/step, 3.79977 hours remaining, 233.503906 MB of memory in use. ENERGY: 681000 3979.0255 20451.6029 14540.6379 248.6935 -203582.4431 2792.5261 0.0000 0.0000 51814.2778 -109755.6794 297.7774 -161569.9573 -109387.7335 297.9188 99.2388 125.0774 761826.5729 -6.7887 -6.7255 PRESSURE: 681200 -201.523 -1.27369 62.3512 -1.2747 21.7359 -151.899 62.3506 -151.9 110.957 GPRESSURE: 681200 -149.08 34.3494 56.318 -38.7198 57.0084 -31.1757 -12.4277 -68.2485 113.471 PRESSAVG: 681200 -20.5942 45.157 20.2382 45.157 11.1599 35.3759 20.2382 35.3759 1.88308 GPRESSAVG: 681200 -21.0817 45.8918 19.0735 46.0547 12.1869 34.1917 19.7253 35.1908 1.94083 TIMING: 681200 CPU: 2152.54, 0.00317849/step Wall: 2152.54, 0.00317849/step, 3.81313 hours remaining, 233.503906 MB of memory in use. ENERGY: 681200 3999.7716 20454.6573 14537.9266 255.6934 -204003.8130 3187.5524 0.0000 0.0000 51863.6595 -109704.5522 298.0612 -161568.2116 -109333.1661 298.4281 -22.9435 7.1331 763423.2976 -2.5171 -2.3180 PRESSURE: 681400 337.823 -81.7918 259.987 -81.7913 129.736 96.2529 259.988 96.2519 328.703 GPRESSURE: 681400 419.761 -75.9772 216.529 -82.9406 152.924 24.8161 207.904 30.497 298.86 PRESSAVG: 681400 -32.4654 -15.622 -24.1098 -15.6219 30.6201 -5.73828 -24.1097 -5.7382 -4.17123 GPRESSAVG: 681400 -31.289 -15.8539 -23.78 -15.5059 29.8405 -7.03835 -24.2692 -3.97296 -4.65604 TIMING: 681400 CPU: 2153.17, 0.00314944/step Wall: 2153.17, 0.00314944/step, 3.77811 hours remaining, 233.503906 MB of memory in use. ENERGY: 681400 4009.5737 20669.2750 14504.6430 249.3640 -203634.1211 2909.5236 0.0000 0.0000 51776.4241 -109515.3177 297.5598 -161291.7418 -109152.8594 298.4410 265.4207 290.5152 759733.4629 -2.0055 -2.0348 PRESSURE: 681600 -63.2202 133.675 77.2164 133.675 -120.181 -53.463 77.2176 -53.4629 168.017 GPRESSURE: 681600 24.243 231.04 104.332 135.712 -94.4058 -104.598 97.4773 153.866 132.147 PRESSAVG: 681600 4.62878 -7.6679 -10.7179 -7.66793 68.0512 -39.2468 -10.7179 -39.2467 15.3139 GPRESSAVG: 681600 4.5371 -8.3683 -10.7575 -6.76607 67.5271 -39.587 -8.29978 -40.141 16.0167 TIMING: 681600 CPU: 2153.8, 0.00317494/step Wall: 2153.8, 0.00317495/step, 3.80852 hours remaining, 233.503906 MB of memory in use. ENERGY: 681600 3977.9993 20509.1877 14454.9953 252.1033 -203484.4173 2655.5729 0.0000 0.0000 51940.4635 -109694.0954 298.5026 -161634.5588 -109329.2984 298.5380 -5.1282 20.6614 761665.3054 29.3313 29.3603 PRESSURE: 681800 45.9189 136.765 50.5211 136.765 58.2003 -28.4248 50.5212 -28.424 187.614 GPRESSURE: 681800 32.2523 129.253 76.3638 187.198 122.287 -34.383 4.43339 -134.157 216.814 PRESSAVG: 681800 -10.6299 -38.5387 2.36934 -38.5386 18.6043 -32.6366 2.36938 -32.6366 11.9367 GPRESSAVG: 681800 -11.2132 -39.1007 2.36842 -36.8278 19.821 -32.5083 1.84199 -31.7778 11.1671 TIMING: 681800 CPU: 2154.43, 0.00315884/step Wall: 2154.43, 0.00315884/step, 3.78903 hours remaining, 233.503906 MB of memory in use. ENERGY: 681800 3989.3700 20808.0757 14441.8444 248.0827 -203794.3062 2830.8268 0.0000 0.0000 52127.9289 -109348.1779 299.5799 -161476.1068 -108988.2929 298.7541 97.2442 123.7842 761554.0150 6.6370 6.5917 PRESSURE: 682000 -202.327 -31.7154 -186.844 -31.716 -80.5765 -68.5338 -186.844 -68.5331 -296.318 GPRESSURE: 682000 -35.1226 4.96587 -169.665 -121.416 -127.183 9.78002 -40.6838 -37.4689 -326.429 PRESSAVG: 682000 57.6977 64.7576 -33.0211 64.7575 -38.1758 -8.53513 -33.0211 -8.53518 0.668086 GPRESSAVG: 682000 57.9437 65.9881 -33.3832 62.526 -38.1529 -6.11668 -34.153 -8.79076 0.625237 TIMING: 682000 CPU: 2155.06, 0.00314135/step Wall: 2155.06, 0.00314135/step, 3.76788 hours remaining, 233.707031 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: 682000 4084.0138 20631.2248 14453.6237 255.8541 -203517.1267 2881.2831 0.0000 0.0000 51690.8025 -109520.3246 297.0678 -161211.1272 -109163.4026 299.1297 -193.0739 -162.9115 762577.8256 6.7300 6.8054 PRESSURE: 682200 133.618 182.776 -11.2393 182.776 -151.507 92.7649 -11.24 92.7641 -92.9189 GPRESSURE: 682200 133.336 83.6611 -7.55206 139.72 -43.8325 87.7734 -38.4426 155.522 -132.72 PRESSAVG: 682200 -19.4759 33.3962 -10.8584 33.3963 6.14506 6.83227 -10.8584 6.83225 9.26661 GPRESSAVG: 682200 -19.1052 31.087 -10.7382 35.3401 6.25067 6.54483 -11.6252 5.4004 9.58697 TIMING: 682200 CPU: 2155.69, 0.00315046/step Wall: 2155.69, 0.00315046/step, 3.77862 hours remaining, 233.707031 MB of memory in use. ENERGY: 682200 3918.6093 20555.7361 14491.9935 255.1198 -203206.6822 2407.9992 0.0000 0.0000 52186.4437 -109390.7806 299.9162 -161577.2243 -109031.4030 298.7490 -36.9361 -14.4056 761535.0484 -1.3547 -1.0892 PRESSURE: 682400 -215.058 -185.427 172.299 -185.427 144.207 265.161 172.299 265.161 29.3957 GPRESSURE: 682400 -59.1961 -196.661 137.54 -208.755 100.87 264.024 123.17 179 -0.104273 PRESSAVG: 682400 -25.8883 26.9851 -42.346 26.9851 23.9069 9.99622 -42.3461 9.99627 -4.89024 GPRESSAVG: 682400 -25.8447 27.561 -42.0307 24.5884 23.3661 8.58595 -42.4417 13.0468 -4.74253 TIMING: 682400 CPU: 2156.33, 0.00317245/step Wall: 2156.33, 0.00317245/step, 3.80483 hours remaining, 233.707031 MB of memory in use. ENERGY: 682400 4018.4786 20610.9986 14520.0767 240.9023 -203826.4759 2942.0669 0.0000 0.0000 51889.7547 -109604.1981 298.2111 -161493.9527 -109243.5607 298.5817 -13.8182 13.8566 762336.6516 -2.2905 -2.4071 PRESSURE: 682600 11.3168 -76.2825 -427.971 -76.2825 -27.3164 118.121 -427.971 118.121 -98.7293 GPRESSURE: 682600 66.8892 -110.972 -255.082 -20.8337 -16.2035 46.8541 -199.83 -26.4369 -82.5965 PRESSAVG: 682600 -43.4001 0.861442 -34.3749 0.861389 93.5242 -3.54013 -34.3748 -3.5401 -14.8955 GPRESSAVG: 682600 -43.4635 2.52478 -35.8759 1.23631 94.9411 -3.05644 -33.6615 -6.42181 -15.7091 TIMING: 682600 CPU: 2156.96, 0.00316146/step Wall: 2156.96, 0.00316146/step, 3.79147 hours remaining, 233.707031 MB of memory in use. ENERGY: 682600 3987.2667 20560.3319 14523.4689 249.2904 -203467.2366 2661.2352 0.0000 0.0000 51995.8884 -109489.7551 298.8211 -161485.6436 -109114.7471 298.8293 -38.2429 -10.6370 761483.0497 11.7429 11.9228 PRESSURE: 682800 11.1479 -116.639 -21.696 -116.639 70.6115 -201.098 -21.6967 -201.099 -152.868 GPRESSURE: 682800 0.774259 27.9677 -90.7205 -98.4612 139.012 -267.774 95.0697 -47.242 -111.659 PRESSAVG: 682800 -38.7386 7.37375 -26.7578 7.37369 28.9882 8.95188 -26.7578 8.95192 2.35883 GPRESSAVG: 682800 -40.282 6.79403 -24.2394 8.38997 28.6766 7.46418 -26.5271 11.3679 3.55284 TIMING: 682800 CPU: 2157.59, 0.00316503/step Wall: 2157.59, 0.00316503/step, 3.79558 hours remaining, 233.707031 MB of memory in use. ENERGY: 682800 4050.3452 20498.8194 14513.6512 239.5487 -203374.1320 2579.6542 0.0000 0.0000 52045.5449 -109446.5684 299.1065 -161492.1133 -109086.1214 298.8346 -23.7029 9.3758 761281.5917 -2.4639 -2.6842 PRESSURE: 683000 -144.029 220.85 65.6328 220.849 3.70869 -15.1168 65.6323 -15.1166 162.481 GPRESSURE: 683000 -126.017 280.263 20.5748 83.5602 37.3095 7.81716 84.0072 130.371 191.218 PRESSAVG: 683000 -24.4195 1.91705 7.22871 1.91707 45.0131 5.09208 7.22866 5.09209 -0.0363746 GPRESSAVG: 683000 -24.3871 2.62059 5.65486 -1.00884 45.4979 4.71444 7.45541 4.44475 -0.14804 TIMING: 683000 CPU: 2158.22, 0.00316204/step Wall: 2158.22, 0.00316204/step, 3.79181 hours remaining, 233.707031 MB of memory in use. ENERGY: 683000 3975.3353 20586.6549 14463.6207 258.3399 -203117.4861 2551.2484 0.0000 0.0000 52190.1897 -109092.0973 299.9377 -161282.2870 -108717.2639 299.0003 7.3869 34.1699 762874.9889 6.8524 6.9876 PRESSURE: 683200 -84.4109 -62.965 -211.982 -62.965 -142.006 -154.734 -211.982 -154.735 -247.99 GPRESSURE: 683200 -52.0283 -84.0702 -144.276 -22.2587 -28.0403 -244.495 -274.431 -38.7146 -321.845 PRESSAVG: 683200 -63.4358 16.3869 23.0804 16.3869 36.8043 -25.9153 23.0804 -25.9154 6.45043 GPRESSAVG: 683200 -63.5518 16.419 23.7362 15.8835 37.5388 -23.4829 20.7266 -27.8111 5.681 TIMING: 683200 CPU: 2158.86, 0.00316252/step Wall: 2158.86, 0.00316252/step, 3.79221 hours remaining, 233.707031 MB of memory in use. ENERGY: 683200 3985.0454 20563.7207 14490.7154 255.2512 -202934.0804 2285.3498 0.0000 0.0000 52305.9383 -109048.0596 300.6029 -161353.9978 -108685.2213 299.5997 -158.1358 -133.9713 763539.7093 -6.7270 -6.7773 PRESSURE: 683400 153.14 -106.739 -66.756 -106.738 40.5473 -101.215 -66.7563 -101.214 68.4552 GPRESSURE: 683400 278.073 -121.515 -60.8484 -118.645 -73.2908 -81.0486 -68.6926 -27.7766 126.711 PRESSAVG: 683400 29.519 -46.6829 -37.5432 -46.6829 16.7316 3.5885 -37.5432 3.5884 9.25447 GPRESSAVG: 683400 30.4681 -48.5517 -37.9679 -43.2505 14.7348 0.864166 -34.5366 5.72565 9.72876 TIMING: 683400 CPU: 2159.49, 0.00314412/step Wall: 2159.49, 0.00314412/step, 3.76997 hours remaining, 233.707031 MB of memory in use. ENERGY: 683400 3929.6774 20683.0882 14574.4412 237.4639 -203207.3657 2796.5255 0.0000 0.0000 51988.9217 -108997.2478 298.7810 -160986.1695 -108631.7126 299.5900 87.3810 110.4979 763385.3678 18.5017 18.3105 PRESSURE: 683600 130.811 -5.06888 -137.273 -5.06956 42.4771 -145.584 -137.273 -145.583 -220.344 GPRESSURE: 683600 202.93 -35.6005 -31.2929 -142.445 59.8963 -148.23 -121.063 -153.621 -225.374 PRESSAVG: 683600 -29.7827 14.9442 4.35156 14.9442 37.0078 14.1898 4.35158 14.1898 16.5658 GPRESSAVG: 683600 -30.1874 15.5015 4.91061 12.1287 37.6927 15.407 3.12097 11.885 16.5652 TIMING: 683600 CPU: 2160.12, 0.00315032/step Wall: 2160.12, 0.00315032/step, 3.77723 hours remaining, 233.707031 MB of memory in use. ENERGY: 683600 3943.1962 20574.1730 14457.3358 257.8634 -203280.4105 2735.7569 0.0000 0.0000 52198.2864 -109113.7988 299.9843 -161312.0852 -108750.9016 299.3351 -15.6854 12.4842 764054.4982 7.9303 8.0235 PRESSURE: 683800 89.9982 178.949 -117.694 178.949 -637.683 -49.4058 -117.694 -49.4065 -16.6082 GPRESSURE: 683800 23.609 170.021 -68.1637 95.822 -471.504 43.2 -116.694 -35.1183 -38.1054 PRESSAVG: 683800 42.7816 9.56332 -13.0264 9.56331 -3.14768 -7.90165 -13.0264 -7.90178 32.5355 GPRESSAVG: 683800 42.8196 9.39683 -14.2451 9.46922 -2.73885 -7.26742 -13.5569 -5.53505 32.0844 TIMING: 683800 CPU: 2160.75, 0.0031526/step Wall: 2160.75, 0.0031526/step, 3.7798 hours remaining, 233.707031 MB of memory in use. ENERGY: 683800 3931.8830 20553.8261 14479.0373 261.0375 -203140.6664 2536.2157 0.0000 0.0000 52203.1873 -109175.4796 300.0124 -161378.6668 -108815.1071 299.4142 -188.0977 -162.0000 762331.7119 24.0565 24.0551 PRESSURE: 684000 325.494 28.6578 -213.026 28.6582 76.0792 26.5784 -213.026 26.5788 376.239 GPRESSURE: 684000 466.974 107.619 -233.438 46.2206 29.3082 90.8303 -43.7632 -48.7267 360.755 PRESSAVG: 684000 23.1679 18.7841 -22.3287 18.7841 -56.1337 -7.8106 -22.3288 -7.81057 -0.568947 GPRESSAVG: 684000 24.5674 20.7097 -21.575 19.1163 -56.6892 -7.57728 -21.1572 -9.4388 -0.768443 TIMING: 684000 CPU: 2161.38, 0.00317909/step Wall: 2161.38, 0.00317909/step, 3.81138 hours remaining, 233.707031 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: 684000 3927.8448 20597.0395 14413.3922 259.3701 -203198.9671 2801.4812 0.0000 0.0000 52055.2129 -109144.6264 299.1620 -161199.8393 -108782.7868 299.4934 259.2708 285.6790 762455.9869 -11.1783 -10.9634 PRESSURE: 684200 -271.614 126.054 91.8906 126.053 -130.386 -168.843 91.8917 -168.844 -109.716 GPRESSURE: 684200 -144.94 93.7237 77.2013 50.038 -89.4049 -175.229 34.0586 -120.544 -211.62 PRESSAVG: 684200 -5.07497 58.7659 8.86694 58.7659 -25.3718 -13.2606 8.86694 -13.2605 -9.365 GPRESSAVG: 684200 -5.73797 60.1671 9.28671 58.1581 -24.7509 -14.6898 8.31305 -12.0189 -9.1443 TIMING: 684200 CPU: 2162.02, 0.00317331/step Wall: 2162.02, 0.00317332/step, 3.80428 hours remaining, 233.707031 MB of memory in use. ENERGY: 684200 3997.6426 20564.2367 14530.7506 249.5752 -203352.7519 2709.0298 0.0000 0.0000 52234.5317 -109066.9853 300.1926 -161301.5170 -108698.3326 299.4513 -170.5719 -148.6550 761652.3364 -13.2706 -13.2111 LDB: ============= START OF LOAD BALANCING ============== 2174.55 LDB: ============== END OF LOAD BALANCING =============== 2174.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2174.55 LDB: ============= START OF LOAD BALANCING ============== 2174.87 LDB: Largest compute 7060 load 0.033109 is 17.0% of average load 0.195223 LDB: Average compute 0.004418 is 2.3% of average load 0.195223 LDB: TIME 2174.88 LOAD: AVG 0.195223 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 2174.88 LOAD: AVG 0.195223 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 2174.88 LOAD: AVG 0.195223 MAX 0.213384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 2174.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2174.88 PRESSURE: 684400 73.7965 -56.2298 -92.3196 -56.2297 80.1246 52.9483 -92.319 52.9485 500.59 GPRESSURE: 684400 147.837 -54.09 -95.5574 -86.4556 16.1056 16.5254 -105.148 118.861 571.999 PRESSAVG: 684400 20.1504 -22.3666 10.7436 -22.3666 16.7066 8.76561 10.7435 8.76561 -5.11713 GPRESSAVG: 684400 21.4519 -26.2405 7.92844 -20.0118 15.975 8.81788 12.1484 6.05627 -6.03141 TIMING: 684400 CPU: 2162.67, 0.00325157/step Wall: 2162.67, 0.00325157/step, 3.89791 hours remaining, 233.175781 MB of memory in use. ENERGY: 684400 4034.4517 20483.0987 14497.7454 250.8421 -203381.2960 2679.3280 0.0000 0.0000 52304.4204 -109131.4098 300.5942 -161435.8301 -108762.5160 299.6889 218.1705 245.3141 760653.7319 10.5800 10.4652 PRESSURE: 684600 192.461 -30.18 77.8622 -30.1802 302.314 -212.266 77.8627 -212.266 -40.1432 GPRESSURE: 684600 151.076 65.7303 51.7524 91.4913 405.368 -283.146 75.9516 -86.9836 -0.161018 PRESSAVG: 684600 -43.2309 -48.3337 -40.2482 -48.3337 31.3588 28.9514 -40.2482 28.9514 3.41256 GPRESSAVG: 684600 -45.3871 -46.4979 -37.2245 -50.3279 33.1155 29.5762 -42.4834 30.6297 4.2087 TIMING: 684600 CPU: 2163.3, 0.00315942/step Wall: 2163.3, 0.00315942/step, 3.78726 hours remaining, 233.503906 MB of memory in use. ENERGY: 684600 3920.1623 20425.0079 14523.7734 239.5695 -203318.1432 2644.4499 0.0000 0.0000 52228.0245 -109337.1558 300.1552 -161565.1803 -108958.9881 299.2236 151.5440 185.4275 761238.4598 -2.8199 -2.6877 PRESSURE: 684800 -141.447 92.3996 161.26 92.3998 -244.206 180.007 161.26 180.008 -51.988 GPRESSURE: 684800 -76.7744 10.5699 141.443 141.154 -206.998 217.089 132.343 195.42 -58.5667 PRESSAVG: 684800 -15.4198 -3.75699 45.0306 -3.757 -45.8773 -0.729472 45.0305 -0.7294 10.2391 GPRESSAVG: 684800 -14.4055 -5.93965 45.2015 -2.04122 -46.396 -0.273041 45.2771 -0.710812 10.5627 TIMING: 684800 CPU: 2163.93, 0.00318006/step Wall: 2163.93, 0.00318006/step, 3.81183 hours remaining, 233.503906 MB of memory in use. ENERGY: 684800 3889.2173 20477.3565 14432.8089 258.1150 -202891.8487 2459.9254 0.0000 0.0000 52187.7803 -109186.6453 299.9239 -161374.4256 -108823.9040 298.8703 -145.8803 -114.1129 763791.7288 -17.0193 -16.7462 PRESSURE: 685000 178.515 73.6321 224.477 73.6313 -58.8977 -105.52 224.478 -105.52 -271.696 GPRESSURE: 685000 235.073 73.2996 248.967 35.3517 -117.646 -116.615 110.429 -30.107 -204.319 PRESSAVG: 685000 56.0047 -6.22028 4.64179 -6.22025 -95.4592 6.14944 4.64179 6.14949 -25.8405 GPRESSAVG: 685000 56.78 -5.97013 4.27924 -6.23669 -96.697 7.60293 3.34847 6.69616 -25.6537 TIMING: 685000 CPU: 2164.57, 0.00315376/step Wall: 2164.57, 0.00315376/step, 3.78013 hours remaining, 233.503906 MB of memory in use. ENERGY: 685000 3998.9283 20672.7810 14511.3704 237.4206 -203305.7961 2684.1233 0.0000 0.0000 51921.7610 -109279.4115 298.3951 -161201.1725 -108908.2368 299.3332 -50.6928 -28.9639 762404.2638 -21.7650 -21.8569 PRESSURE: 685200 -457.018 125.706 405.159 125.706 1.34726 189.615 405.159 189.616 7.83702 GPRESSURE: 685200 -393.187 54.4764 467.13 221.977 2.51126 140.155 437.697 130.42 21.5609 PRESSAVG: 685200 25.4047 14.4806 -22.0086 14.4806 19.6723 -10.7578 -22.0086 -10.7578 9.79128 GPRESSAVG: 685200 26.2407 12.5014 -22.9428 15.0667 19.7439 -11.8306 -20.7266 -10.4564 9.24137 TIMING: 685200 CPU: 2165.2, 0.00316265/step Wall: 2165.2, 0.00316265/step, 3.79061 hours remaining, 233.503906 MB of memory in use. ENERGY: 685200 4047.7244 20593.9413 14448.1304 259.2812 -203435.9817 2586.9675 0.0000 0.0000 52228.7534 -109271.1834 300.1594 -161499.9368 -108894.1039 299.8404 -149.2779 -123.0383 762020.7561 18.2894 18.4086 PRESSURE: 685400 89.6732 199.02 -64.7146 199.021 -352.698 -225.797 -64.7148 -225.796 -381.883 GPRESSURE: 685400 138.938 207.178 -138.573 101.636 -380.828 -172.687 -43.4674 -183.634 -322.445 PRESSAVG: 685400 22.5947 7.47455 -9.9741 7.47452 0.299822 -1.26465 -9.9741 -1.26468 -8.52446 GPRESSAVG: 685400 21.4292 10.8647 -8.68207 4.87446 0.904634 -2.28424 -9.90828 -0.838586 -8.0008 TIMING: 685400 CPU: 2165.83, 0.0031545/step Wall: 2165.83, 0.0031545/step, 3.78067 hours remaining, 233.503906 MB of memory in use. ENERGY: 685400 3992.0768 20707.6953 14504.1732 246.6987 -203138.8775 2510.0396 0.0000 0.0000 51986.0745 -109192.1194 298.7647 -161178.1939 -108826.7281 299.7608 -214.9692 -188.1118 762650.0743 4.7900 4.7777 PRESSURE: 685600 142.117 -7.35818 -135.749 -7.35834 382.99 -165.553 -135.749 -165.553 159.889 GPRESSURE: 685600 96.5692 -68.7195 -170.492 31.9417 464.619 -209.675 -130.307 -162.425 212.715 PRESSAVG: 685600 18.6717 48.9986 -13.9681 48.9986 5.29983 23.4237 -13.9681 23.4237 12.1998 GPRESSAVG: 685600 18.3142 48.3122 -14.9863 48.3495 5.39505 23.2761 -13.43 23.4349 12.806 TIMING: 685600 CPU: 2166.46, 0.00315372/step Wall: 2166.46, 0.00315372/step, 3.77956 hours remaining, 233.503906 MB of memory in use. ENERGY: 685600 4067.2121 20644.6944 14400.1843 255.2111 -203521.2508 2968.3173 0.0000 0.0000 51880.1563 -109305.4752 298.1560 -161185.6315 -108958.0553 299.1367 228.3320 257.9678 762900.7700 12.0571 12.1717 PRESSURE: 685800 -8.64326 -66.0829 -186.977 -66.0835 41.414 -83.5821 -186.977 -83.5816 147.935 GPRESSURE: 685800 38.152 -80.3025 -133.273 -9.42134 139.663 -147.244 -250.588 -29.2608 89.2875 PRESSAVG: 685800 -27.3934 7.78832 -43.9869 7.7883 24.5412 -49.9304 -43.9869 -49.9304 -16.6516 GPRESSAVG: 685800 -26.4872 5.89958 -44.6627 10.5549 23.8061 -49.6581 -44.1015 -50.244 -17.183 TIMING: 685800 CPU: 2167.09, 0.00313675/step Wall: 2167.09, 0.00313675/step, 3.75905 hours remaining, 233.503906 MB of memory in use. ENERGY: 685800 3996.8312 20696.3165 14385.4269 252.0025 -203543.1645 2787.3035 0.0000 0.0000 52199.4571 -109225.8267 299.9910 -161425.2838 -108874.7691 299.2374 60.2353 89.0342 762318.5858 -6.5013 -6.6214 PRESSURE: 686000 -215.559 -44.4171 -225.054 -44.4176 -61.3008 -132.905 -225.055 -132.904 -340.539 GPRESSURE: 686000 -206.694 21.1389 -266.59 -127.313 1.83813 -223.373 -213.179 -125.002 -325.092 PRESSAVG: 686000 -27.1826 -24.362 -37.4288 -24.3619 48.1041 -6.59899 -37.4288 -6.5989 5.04439 GPRESSAVG: 686000 -28.7581 -23.5401 -36.7784 -26.0881 49.4719 -6.47878 -37.2624 -6.95182 5.02334 TIMING: 686000 CPU: 2167.72, 0.00316544/step Wall: 2167.72, 0.00316544/step, 3.79326 hours remaining, 233.503906 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: 686000 4055.8324 20459.4286 14490.5837 231.3985 -203562.9771 2717.1845 0.0000 0.0000 52453.0633 -109155.4860 301.4485 -161608.5493 -108783.5337 300.0049 -205.7999 -176.6493 760854.3785 8.6553 8.5790 PRESSURE: 686200 -237.094 133.069 -178.02 133.069 -320.008 -10.8422 -178.019 -10.842 111.148 GPRESSURE: 686200 -211.142 126.813 -135.422 269.995 -252.969 -83.5657 -181.578 -59.4908 97.3958 PRESSAVG: 686200 1.54423 21.7627 -50.1593 21.7628 4.86178 -19.025 -50.1593 -19.025 -8.37082 GPRESSAVG: 686200 2.78415 22.0999 -52.5397 22.5681 3.66668 -19.2552 -51.0341 -19.2102 -8.13889 TIMING: 686200 CPU: 2168.35, 0.00316538/step Wall: 2168.35, 0.00316538/step, 3.79301 hours remaining, 233.503906 MB of memory in use. ENERGY: 686200 4059.0588 20706.2646 14425.4205 251.2931 -203201.8801 2708.1346 0.0000 0.0000 52129.5141 -108922.1944 299.5890 -161051.7085 -108555.6753 299.9205 -148.6514 -122.2384 763953.2400 -0.6549 -0.5627 PRESSURE: 686400 -163.351 -190.077 -34.3169 -190.076 -164.272 -28.9158 -34.316 -28.9143 -226.301 GPRESSURE: 686400 -48.3589 -166.328 -45.1698 -150.624 -226.879 -69.2076 -64.6892 -52.9392 -183.435 PRESSAVG: 686400 -22.6484 54.6548 10.4448 54.6548 1.80267 45.5454 10.4448 45.5454 17.6104 GPRESSAVG: 686400 -21.8914 55.0495 12.7851 54.6951 1.73893 45.5696 10.7647 46.5178 17.5226 TIMING: 686400 CPU: 2168.98, 0.00314491/step Wall: 2168.98, 0.00314491/step, 3.7683 hours remaining, 233.503906 MB of memory in use. ENERGY: 686400 3977.4703 20712.5230 14361.5802 241.1553 -202871.4918 2567.3617 0.0000 0.0000 52270.1116 -108741.2897 300.3971 -161011.4013 -108370.0249 300.1181 -184.6416 -152.8910 763745.5538 -1.0784 -0.8766 PRESSURE: 686600 -137.021 105.997 105.358 105.997 371.743 141.276 105.359 141.276 156.105 GPRESSURE: 686600 -39.3922 69.6461 82.5273 94.1974 290.825 181.717 167.8 42.8424 239.636 PRESSAVG: 686600 40.351 43.3647 -11.0918 43.3647 2.34665 9.75826 -11.0918 9.75824 29.8447 GPRESSAVG: 686600 39.6186 42.6664 -10.9609 41.2048 3.86152 9.30864 -9.67231 9.35042 28.9318 TIMING: 686600 CPU: 2169.62, 0.00316937/step Wall: 2169.62, 0.00316937/step, 3.79743 hours remaining, 233.503906 MB of memory in use. ENERGY: 686600 3981.5746 20681.0767 14486.2844 237.9611 -203290.8951 2811.8159 0.0000 0.0000 52297.0698 -108795.1125 300.5520 -161092.1823 -108423.2785 300.5884 130.2757 163.6896 761985.7031 24.1808 24.1373 PRESSURE: 686800 383.889 212.299 61.0607 212.298 174.339 -59.4808 61.0605 -59.4817 -152.715 GPRESSURE: 686800 332.52 94.3378 2.76512 214.394 289.526 -45.1364 93.7304 -94.193 -141.96 PRESSAVG: 686800 -6.85161 18.3864 -7.24216 18.3864 55.8093 -27.513 -7.24218 -27.513 0.992642 GPRESSAVG: 686800 -6.66605 17.1977 -8.54109 20.3459 54.1795 -27.3064 -8.03931 -26.2417 2.1533 TIMING: 686800 CPU: 2170.25, 0.0031526/step Wall: 2170.25, 0.0031526/step, 3.77717 hours remaining, 233.503906 MB of memory in use. ENERGY: 686800 3964.8022 20749.2029 14463.2577 242.1380 -203501.9106 2780.9388 0.0000 0.0000 52409.4531 -108892.1180 301.1978 -161301.5710 -108527.8210 300.3562 135.1710 160.0285 760563.9470 16.6501 16.5556 PRESSURE: 687000 -12.7984 176.693 -25.519 176.693 -206.384 -32.5586 -25.5187 -32.5592 -36.3623 GPRESSURE: 687000 -70.3215 217.371 -20.2173 65.3599 -40.3623 -35.3608 -62.6748 -19.2458 -82.3509 PRESSAVG: 687000 -5.47327 65.8956 -61.8267 65.8956 30.4542 -70.8128 -61.8267 -70.8129 0.183938 GPRESSAVG: 687000 -5.23107 66.3253 -61.512 67.2218 31.5965 -69.8614 -61.8538 -72.8785 -1.399 TIMING: 687000 CPU: 2170.88, 0.003163/step Wall: 2170.88, 0.003163/step, 3.78945 hours remaining, 233.503906 MB of memory in use. ENERGY: 687000 4100.6536 20485.2333 14447.9309 231.4791 -202934.1424 2505.7783 0.0000 0.0000 52387.5281 -108775.5390 301.0718 -161163.0672 -108407.8456 300.8672 -85.1814 -64.3449 761517.6477 8.3883 8.3221 PRESSURE: 687200 241.054 15.1304 -25.4314 15.1307 370.98 -90.8601 -25.4314 -90.8597 452.906 GPRESSURE: 687200 331.535 -39.2898 -33.3848 -18.7512 353.02 -23.8617 48.7003 7.52779 463.046 PRESSAVG: 687200 1.85461 10.1504 -15.3529 10.1504 -21.8797 -53.9302 -15.3528 -53.9303 27.7155 GPRESSAVG: 687200 1.007 10.1979 -14.6422 9.20419 -22.4308 -53.6272 -15.4974 -52.729 29.1382 TIMING: 687200 CPU: 2171.51, 0.00316286/step Wall: 2171.51, 0.00316286/step, 3.7891 hours remaining, 233.503906 MB of memory in use. ENERGY: 687200 4042.8168 20665.5355 14492.1889 227.6200 -202968.8747 2725.2638 0.0000 0.0000 52265.3250 -108550.1247 300.3695 -160815.4497 -108184.8937 300.8241 354.9801 382.5339 760663.3950 2.5635 2.5715 PRESSURE: 687400 39.4764 162.144 53.0792 162.145 -154.464 -113.031 53.0798 -113.031 -366.38 GPRESSURE: 687400 -21.4735 172.914 -19.2569 -29.9602 -80.6236 -76.9536 -44.6749 -138.095 -305.915 PRESSAVG: 687400 17.5291 14.8773 17.5378 14.8773 -13.0377 -44.091 17.5378 -44.091 -1.41506 GPRESSAVG: 687400 18.2841 16.8887 16.3874 15.2226 -13.1233 -45.744 19.1167 -43.8182 -2.37677 TIMING: 687400 CPU: 2172.14, 0.00315198/step Wall: 2172.14, 0.00315198/step, 3.7759 hours remaining, 233.503906 MB of memory in use. ENERGY: 687400 4013.9837 20705.0992 14447.3240 237.7642 -203432.8248 2937.2464 0.0000 0.0000 52277.8819 -108813.5253 300.4417 -161091.4072 -108456.6877 301.3766 -160.4559 -136.0041 761417.4856 1.0254 0.9280 PRESSURE: 687600 139.066 -35.4004 58.0271 -35.3999 -78.8138 104.855 58.0277 104.854 496.271 GPRESSURE: 687600 170.932 -103.128 190.472 -108.503 15.0591 179.249 57.4353 113.478 460.712 PRESSAVG: 687600 -7.3864 36.0051 75.8601 36.0051 -11.3226 16.4496 75.8601 16.4496 -15.3023 GPRESSAVG: 687600 -7.08862 33.5584 77.1873 34.6644 -10.0991 17.0017 73.7822 17.0575 -16.6799 TIMING: 687600 CPU: 2172.77, 0.00314936/step Wall: 2172.77, 0.00314936/step, 3.77258 hours remaining, 233.503906 MB of memory in use. ENERGY: 687600 4006.3748 20794.6073 14509.8518 246.2015 -203401.2241 2749.5146 0.0000 0.0000 52336.1210 -108758.5532 300.7764 -161094.6742 -108394.2680 300.6415 185.5076 215.5679 762081.9886 -11.3371 -11.2892 PRESSURE: 687800 -173.785 -42.0993 16.4603 -42.099 170.864 -25.9569 16.4604 -25.9562 -4.92279 GPRESSURE: 687800 -166.123 -140.634 -34.0377 57.25 202.739 -29.1792 107.35 -77.553 53.273 PRESSAVG: 687800 10.311 19.4531 38.6826 19.453 -28.9018 -13.5098 38.6825 -13.5098 -9.89948 GPRESSAVG: 687800 10.0429 21.0784 38.8902 18.3951 -29.8208 -12.702 39.2113 -13.1017 -8.49128 TIMING: 687800 CPU: 2173.41, 0.00317297/step Wall: 2173.41, 0.00317297/step, 3.80069 hours remaining, 233.503906 MB of memory in use. ENERGY: 687800 3952.0059 20557.9062 14462.4089 246.6405 -202897.2664 2763.9557 0.0000 0.0000 52151.6860 -108762.6632 299.7165 -160914.3492 -108385.7855 300.2996 -2.6148 29.9628 764393.6907 -9.4967 -9.4231 PRESSURE: 688000 -436.867 -204.848 27.2234 -204.848 -396.243 -88.1587 27.2237 -88.1586 -348.324 GPRESSURE: 688000 -382.367 -122.632 -104.173 -284.869 -281.408 -102.538 81.349 -105.603 -434.558 PRESSAVG: 688000 11.2576 29.1565 36.3359 29.1565 10.7432 4.8057 36.3359 4.80571 -2.28733 GPRESSAVG: 688000 11.6572 28.6455 34.5312 30.1425 10.883 5.17672 37.3269 3.19847 -2.79938 TIMING: 688000 CPU: 2174.04, 0.00316597/step Wall: 2174.04, 0.00316597/step, 3.79213 hours remaining, 233.503906 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: 688000 4011.8086 20533.9622 14469.0182 256.1761 -202636.6040 2280.1178 0.0000 0.0000 52140.7203 -108944.8009 299.6534 -161085.5212 -108573.0159 300.1389 -393.8111 -366.1111 764547.3995 6.5711 6.5803 PRESSURE: 688200 7.7968 114.668 -40.0318 114.669 185.498 222.151 -40.0327 222.152 21.5496 GPRESSURE: 688200 73.9045 83.1022 -60.8037 6.61049 179.943 225.642 -22.6011 166.48 46.4566 PRESSAVG: 688200 -11.3361 6.26838 -2.58067 6.26839 59.1243 2.54006 -2.5807 2.53998 5.98969 GPRESSAVG: 688200 -12.8066 5.02207 -3.24114 7.10026 59.9158 3.66005 -2.90187 3.217 6.93091 TIMING: 688200 CPU: 2174.67, 0.0031481/step Wall: 2174.67, 0.0031481/step, 3.77055 hours remaining, 233.503906 MB of memory in use. ENERGY: 688200 3968.2873 20558.6663 14493.0278 243.2590 -203312.4391 2807.1598 0.0000 0.0000 52278.8720 -108963.1669 300.4474 -161242.0389 -108602.1283 299.5301 71.6147 100.1015 761706.1514 17.9260 18.0134 LDB: ============= START OF LOAD BALANCING ============== 2187.2 LDB: ============== END OF LOAD BALANCING =============== 2187.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2187.2 LDB: ============= START OF LOAD BALANCING ============== 2187.52 LDB: Largest compute 7060 load 0.033082 is 17.0% of average load 0.195155 LDB: Average compute 0.004396 is 2.3% of average load 0.195155 LDB: TIME 2187.52 LOAD: AVG 0.195155 MAX 0.213077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.434 MB LDB: TIME 2187.53 LOAD: AVG 0.195155 MAX 0.213077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 2187.53 LOAD: AVG 0.195155 MAX 0.213077 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 2187.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2187.53 PRESSURE: 688400 117.183 228.305 150.758 228.306 -85.6188 -115.154 150.758 -115.154 53.2149 GPRESSURE: 688400 174.863 136.624 -32.4928 272.89 -51.2412 -140.269 206.711 8.68549 18.0481 PRESSAVG: 688400 -23.0434 -25.0695 9.70552 -25.0695 33.0234 -32.4968 9.70551 -32.4969 8.3551 GPRESSAVG: 688400 -20.8439 -24.528 12.2148 -24.1556 32.1251 -33.987 7.49593 -31.0459 7.0252 TIMING: 688400 CPU: 2175.32, 0.00323223/step Wall: 2175.32, 0.00323223/step, 3.87114 hours remaining, 232.718750 MB of memory in use. ENERGY: 688400 4019.5334 20612.8167 14523.7578 239.3289 -202933.2752 2415.7674 0.0000 0.0000 51990.1706 -109131.9004 298.7882 -161122.0710 -108777.0489 299.8952 28.2597 47.2234 763654.8552 6.1117 6.1022 PRESSURE: 688600 -267.177 -144.086 177.916 -144.087 -129.752 -44.4425 177.916 -44.4433 142.689 GPRESSURE: 688600 -219.079 -44.3185 255.391 -173.7 -104.281 -33.9956 150.573 -108.811 148.038 PRESSAVG: 688600 8.15534 17.4001 -24.4129 17.4001 -45.9771 -5.8641 -24.4129 -5.86409 -8.90063 GPRESSAVG: 688600 6.62011 18.4919 -24.4224 15.8876 -46.735 -5.99953 -22.785 -7.74869 -6.8095 TIMING: 688600 CPU: 2175.95, 0.00316875/step Wall: 2175.95, 0.00316875/step, 3.79493 hours remaining, 232.718750 MB of memory in use. ENERGY: 688600 3960.9115 20567.0983 14462.8032 237.9995 -203255.2350 2505.5783 0.0000 0.0000 52087.1969 -109433.6474 299.3458 -161520.8443 -109081.6145 299.2483 -84.7467 -58.4407 762645.3911 -15.5741 -15.6415 PRESSURE: 688800 451.61 301.383 111.898 301.382 -108.494 -57.2852 111.897 -57.2848 56.7616 GPRESSURE: 688800 437.775 344.722 54.9481 270.016 16.8477 -29.4995 132.32 50.894 15.4686 PRESSAVG: 688800 -19.6844 26.4894 -16.8467 26.4895 4.87233 -1.68745 -16.8467 -1.6875 -12.9058 GPRESSAVG: 688800 -19.0385 25.9673 -18.7766 26.1239 6.07534 -0.560225 -17.4843 -0.614742 -14.9459 TIMING: 688800 CPU: 2176.58, 0.0031735/step Wall: 2176.58, 0.0031735/step, 3.80044 hours remaining, 232.718750 MB of memory in use. ENERGY: 688800 4024.8187 20441.2374 14525.3911 249.6434 -203781.5266 2918.7819 0.0000 0.0000 52082.4847 -109539.1694 299.3188 -161621.6541 -109179.8203 298.4131 133.2926 156.6972 762708.6514 -9.2393 -9.3030 PRESSURE: 689000 212.085 -121.117 -224.545 -121.117 -226.207 136.574 -224.545 136.575 113.279 GPRESSURE: 689000 225.944 5.26524 -120.1 -67.0673 -181.463 156.568 -254.37 -7.87221 128.671 PRESSAVG: 689000 51.4323 34.1765 -54.311 34.1765 -30.8448 -13.3399 -54.311 -13.34 25.847 GPRESSAVG: 689000 50.9469 33.0812 -53.1271 35.3549 -31.4486 -15.217 -56.1044 -14.4769 26.7018 TIMING: 689000 CPU: 2177.22, 0.00318736/step Wall: 2177.22, 0.00318736/step, 3.81686 hours remaining, 232.718750 MB of memory in use. ENERGY: 689000 3942.3155 20240.9536 14484.0493 263.6305 -203425.5820 2813.1294 0.0000 0.0000 52110.3377 -109571.1660 299.4788 -161681.5037 -109210.5054 298.4682 33.0520 57.7173 763287.2099 15.4782 15.4001 PRESSURE: 689200 17.4504 -90.293 -35.1879 -90.2926 304.636 136.093 -35.1886 136.092 -81.4569 GPRESSURE: 689200 -49.6711 -59.5424 -0.266805 -117.285 353.653 59.4946 -74.6813 142.85 6.31555 PRESSAVG: 689200 15.28 2.28053 -12.7132 2.28056 -40.1517 29.0582 -12.7133 29.0582 -17.0877 GPRESSAVG: 689200 16.0238 2.64063 -13.4322 1.09431 -40.7513 30.5586 -11.1977 28.7474 -16.8471 TIMING: 689200 CPU: 2177.85, 0.00316159/step Wall: 2177.85, 0.00316159/step, 3.78582 hours remaining, 232.718750 MB of memory in use. ENERGY: 689200 3923.4984 20565.8876 14464.9675 267.1367 -203146.5795 2567.9105 0.0000 0.0000 51962.6090 -109394.5696 298.6298 -161357.1786 -109028.3060 298.8631 80.2098 103.4327 763178.1858 -13.9865 -13.8582 PRESSURE: 689400 -120.079 98.8176 136.408 98.8166 -273.753 -167.572 136.408 -167.573 1.68209 GPRESSURE: 689400 -171.257 189.203 71.2757 55.7054 -163.618 -164.935 46.6483 -195.998 -5.03825 PRESSAVG: 689400 -4.46946 23.0699 30.6769 23.0699 52.2692 34.7591 30.677 34.7591 4.69758 GPRESSAVG: 689400 -4.4342 25.6553 30.2201 22.1053 52.5134 32.8113 31.2472 34.3001 4.2497 TIMING: 689400 CPU: 2178.48, 0.00314596/step Wall: 2178.48, 0.00314596/step, 3.76694 hours remaining, 232.718750 MB of memory in use. ENERGY: 689400 4061.0740 20540.7672 14479.1217 235.9585 -203763.5038 2942.8036 0.0000 0.0000 51862.2509 -109641.5278 298.0531 -161503.7787 -109286.9074 298.8135 -130.7168 -113.3045 762111.2585 17.4991 17.4430 PRESSURE: 689600 -265.038 199.27 -100.697 199.27 -207.679 12.5183 -100.696 12.5182 630.024 GPRESSURE: 689600 -131.849 164.363 -117.084 164.685 -211.112 12.2839 -159.466 30.23 572.054 PRESSAVG: 689600 16.1691 -18.1081 9.07439 -18.108 17.8937 -22.1736 9.07444 -22.1736 9.01179 GPRESSAVG: 689600 16.6241 -21.3672 9.66063 -15.7447 18.5116 -21.7915 9.10851 -21.3636 8.12266 TIMING: 689600 CPU: 2179.11, 0.00313534/step Wall: 2179.11, 0.00313534/step, 3.75405 hours remaining, 232.718750 MB of memory in use. ENERGY: 689600 3992.1044 20298.1943 14487.8860 249.1845 -203323.9219 2625.1805 0.0000 0.0000 52060.6368 -109610.7354 299.1932 -161671.3722 -109230.4482 298.5214 52.4355 76.3644 762290.7791 14.3582 14.4194 PRESSURE: 689800 270.477 -11.9493 47.4629 -11.9485 242.848 61.946 47.4631 61.9464 -38.2783 GPRESSURE: 689800 259.866 28.5338 -71.1815 -45.0191 201.668 -30.398 -30.095 -1.34246 92.6675 PRESSAVG: 689800 -38.9397 -28.9683 -29.2957 -28.9683 66.3128 -42.6371 -29.2957 -42.6371 -0.452616 GPRESSAVG: 689800 -39.7753 -26.3262 -29.54 -30.8887 66.2042 -42.6564 -31.5538 -43.0931 0.545554 TIMING: 689800 CPU: 2179.74, 0.00315125/step Wall: 2179.74, 0.00315125/step, 3.77292 hours remaining, 232.718750 MB of memory in use. ENERGY: 689800 3992.5551 20672.5198 14472.9962 247.8245 -203437.8299 2702.2519 0.0000 0.0000 51898.6796 -109451.0027 298.2624 -161349.6823 -109101.8855 298.6996 158.3492 184.7339 761670.5964 8.9735 8.9915 PRESSURE: 690000 -250.23 -79.4378 -249.1 -79.4382 -150.615 15.2788 -249.102 15.279 -199.488 GPRESSURE: 690000 -194.45 -140.277 -245.215 -167.594 -162.507 54.4402 -119.289 -2.26363 -183.097 PRESSAVG: 690000 29.1626 23.4954 -20.4903 23.4954 -60.271 -48.7517 -20.4903 -48.7516 -21.1355 GPRESSAVG: 690000 28.7474 22.8097 -19.1744 24.156 -60.2748 -48.1894 -17.8024 -48.5342 -21.2073 TIMING: 690000 CPU: 2180.37, 0.0031552/step Wall: 2180.37, 0.0031552/step, 3.77748 hours remaining, 232.718750 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: 690000 4007.6757 20508.0918 14478.0005 263.7903 -203725.6950 2917.1037 0.0000 0.0000 52082.2917 -109468.7413 299.3176 -161551.0330 -109118.2946 298.5125 -200.1109 -180.0179 762707.5837 -17.4146 -17.5782 PRESSURE: 690200 22.7003 201.698 47.3747 201.699 -245.153 80.3849 47.3754 80.3852 -0.0267373 GPRESSURE: 690200 87.887 139.67 42.7709 137.881 -258.473 177.112 140.349 93.4604 9.98723 PRESSAVG: 690200 -27.3987 8.84676 -53.511 8.8468 45.7039 33.2445 -53.511 33.2446 -2.17671 GPRESSAVG: 690200 -27.0435 8.58734 -54.8014 9.96091 45.5879 33.0589 -53.3817 33.1764 -1.94946 TIMING: 690200 CPU: 2181.01, 0.00316929/step Wall: 2181.01, 0.00316929/step, 3.79417 hours remaining, 232.718750 MB of memory in use. ENERGY: 690200 3901.9818 20486.2790 14459.3846 234.7674 -203364.5415 2621.4105 0.0000 0.0000 52091.2048 -109569.5134 299.3689 -161660.7182 -109193.5922 298.7212 -74.1599 -53.5328 761747.0617 5.3762 5.5317 PRESSURE: 690400 67.4547 177.061 -266.05 177.06 300.64 177.036 -266.05 177.035 539.349 GPRESSURE: 690400 143.194 86.6685 -263.188 176.13 347.845 187.872 -243.834 31.6328 511.586 PRESSAVG: 690400 50.9729 14.6606 -31.6464 14.6606 -44.2763 1.22932 -31.6464 1.22937 2.58848 GPRESSAVG: 690400 53.1574 13.6498 -30.261 12.7953 -45.215 0.430719 -32.0547 1.62496 1.79277 TIMING: 690400 CPU: 2181.64, 0.0031528/step Wall: 2181.64, 0.0031528/step, 3.77425 hours remaining, 232.718750 MB of memory in use. ENERGY: 690400 4097.9472 20510.8281 14497.8640 243.3304 -203468.1295 2754.8234 0.0000 0.0000 52021.0886 -109342.2478 298.9659 -161363.3364 -108979.4598 299.0029 302.4813 334.2085 762560.9000 3.0950 3.2451 PRESSURE: 690600 60.875 51.1228 29.168 51.1231 19.5132 100.929 29.1674 100.929 -133.217 GPRESSURE: 690600 5.39504 34.847 17.5022 98.1789 54.325 141.212 30.3188 86.1652 -28.1334 PRESSAVG: 690600 13.9066 2.27354 -80.4455 2.27356 -16.1687 -15.578 -80.4456 -15.578 7.37133 GPRESSAVG: 690600 12.1099 2.91958 -80.3381 1.12496 -16.2253 -14.0188 -78.0638 -17.4157 9.29754 TIMING: 690600 CPU: 2182.27, 0.00316632/step Wall: 2182.27, 0.00316632/step, 3.79026 hours remaining, 232.718750 MB of memory in use. ENERGY: 690600 3972.7237 20510.3985 14475.1845 245.3213 -203327.4841 2607.9440 0.0000 0.0000 52242.2126 -109273.6994 300.2367 -161515.9120 -108919.0393 299.2978 -17.6096 10.5289 761636.1227 1.7031 1.7274 PRESSURE: 690800 -286.694 -110.232 133.764 -110.232 -584.644 1.20132 133.764 1.20038 89.1206 GPRESSURE: 690800 -332.11 -59.373 138.525 -21.072 -499.784 81.1111 96.5712 21.269 134.483 PRESSAVG: 690800 13.4291 47.4237 -5.87658 47.4238 -19.0946 -2.43016 -5.87662 -2.43016 7.03809 GPRESSAVG: 690800 14.2547 47.3977 -7.94341 50.5494 -18.22 -3.06045 -7.79739 -1.86106 5.09294 TIMING: 690800 CPU: 2182.9, 0.00314731/step Wall: 2182.9, 0.00314731/step, 3.76732 hours remaining, 232.718750 MB of memory in use. ENERGY: 690800 4029.9365 20546.1081 14436.5681 270.7153 -203291.5994 2653.4395 0.0000 0.0000 52207.5330 -109147.2989 300.0374 -161354.8320 -108783.5363 299.4533 -260.7390 -232.4703 762236.3371 0.4575 0.3759 PRESSURE: 691000 -81.5475 16.6828 60.7018 16.6832 -275.344 225.453 60.7024 225.451 191.861 GPRESSURE: 691000 -52.2763 -4.8642 25.8465 168.375 -222.559 250.128 55.2223 181.534 185.771 PRESSAVG: 691000 -30.73 39.6039 -19.6442 39.6039 7.47422 41.2267 -19.6441 41.2269 17.1807 GPRESSAVG: 691000 -30.7035 39.3786 -18.1056 37.6367 7.1736 39.942 -21.4183 41.7852 17.959 TIMING: 691000 CPU: 2183.53, 0.00313767/step Wall: 2183.53, 0.00313767/step, 3.75562 hours remaining, 232.718750 MB of memory in use. ENERGY: 691000 4021.0502 20616.1493 14423.9631 249.3680 -203116.0574 2708.9002 0.0000 0.0000 52183.1313 -108913.4954 299.8972 -161096.6267 -108557.7253 299.8607 -55.0100 -29.6880 763440.0626 -2.0250 -1.8570 PRESSURE: 691200 104.907 -82.3923 -180.416 -82.3911 274.717 -81.8638 -180.416 -81.8634 25.6621 GPRESSURE: 691200 156.342 7.79032 -162.797 -95.8803 295.333 -126.892 -150.885 -66.7992 10.0654 PRESSAVG: 691200 -29.9884 -16.1131 46.9144 -16.1131 42.8306 38.5348 46.9145 38.5347 -8.491 GPRESSAVG: 691200 -29.6241 -15.3749 47.6556 -15.8638 42.715 39.1861 48.0601 38.7589 -8.91542 TIMING: 691200 CPU: 2184.16, 0.00315423/step Wall: 2184.16, 0.00315423/step, 3.77526 hours remaining, 232.718750 MB of memory in use. ENERGY: 691200 4024.4377 20581.1624 14464.4492 255.4240 -203190.2588 2702.0591 0.0000 0.0000 52286.4146 -108876.3118 300.4907 -161162.7264 -108514.6198 299.7558 135.0953 153.9137 761327.3464 1.4504 1.3918 PRESSURE: 691400 350.341 67.6822 35.6798 67.682 119.273 20.0171 35.6806 20.0185 51.6921 GPRESSURE: 691400 440.441 -2.65861 -17.6882 42.3115 101.168 27.5048 41.1785 39.2564 88.5476 PRESSAVG: 691400 28.7605 3.2504 23.266 3.25041 -23.1712 -17.5519 23.2661 -17.552 33.2695 GPRESSAVG: 691400 29.9003 3.12718 21.8268 2.92715 -24.0871 -16.9422 23.5812 -18.0054 33.7325 TIMING: 691400 CPU: 2184.79, 0.00314563/step Wall: 2184.79, 0.00314563/step, 3.76479 hours remaining, 232.718750 MB of memory in use. ENERGY: 691400 3968.8447 20509.1976 14501.9651 271.5188 -203141.2221 2790.8523 0.0000 0.0000 52167.6702 -108931.1734 299.8083 -161098.8436 -108551.0668 300.0763 173.7688 210.0522 761616.5963 12.9529 13.1819 PRESSURE: 691600 -350.652 -57.8346 183.567 -57.835 -99.4319 83.9341 183.567 83.935 55.4004 GPRESSURE: 691600 -269.532 -159.66 227.33 -19.836 -115.073 118.245 -24.6681 75.1804 79.5467 PRESSAVG: 691600 -32.6469 -29.4235 25.2013 -29.4234 8.90773 -2.47362 25.2013 -2.47353 15.4657 GPRESSAVG: 691600 -32.7783 -28.639 25.9997 -29.5967 10.2268 -4.11416 23.7879 -2.31737 14.7654 TIMING: 691600 CPU: 2185.41, 0.00312692/step Wall: 2185.41, 0.00312692/step, 3.74222 hours remaining, 232.718750 MB of memory in use. ENERGY: 691600 4000.9486 20543.0684 14452.0898 240.2128 -202897.3795 2604.5954 0.0000 0.0000 52018.9260 -109037.5385 298.9535 -161056.4645 -108679.0808 299.4989 -131.5611 -101.6862 761766.9401 -2.7578 -2.5954 PRESSURE: 691800 157.141 -168.721 132.502 -168.721 169.677 -42.2141 132.501 -42.2146 -146.468 GPRESSURE: 691800 189.866 -100.205 224.873 -162.166 94.5229 -24.9785 128.684 -151.406 -15.6477 PRESSAVG: 691800 20.9501 3.18504 21.0984 3.18509 -1.21213 -31.9905 21.0983 -31.9905 -3.81494 GPRESSAVG: 691800 20.0831 2.88787 21.8069 4.47999 -1.88613 -31.0169 22.3892 -32.3387 -3.18999 TIMING: 691800 CPU: 2186.04, 0.00316071/step Wall: 2186.04, 0.00316071/step, 3.78249 hours remaining, 232.718750 MB of memory in use. ENERGY: 691800 4010.6726 20628.6903 14472.0463 248.4878 -202996.7299 2566.3567 0.0000 0.0000 52233.0530 -108837.4232 300.1841 -161070.4763 -108467.6585 299.8795 60.1163 89.5803 762221.7227 5.3077 5.0023 PRESSURE: 692000 -217.948 173.306 -6.36049 173.305 -350.473 -50.5341 -6.36141 -50.5344 -148.322 GPRESSURE: 692000 -151.54 179.02 -21.8174 195.168 -370.525 7.378 106.698 18.4734 -109.077 PRESSAVG: 692000 28.3119 28.9272 5.39456 28.9272 0.975166 30.0229 5.39459 30.0229 1.01478 GPRESSAVG: 692000 28.215 30.7775 4.75484 27.5797 1.25642 30.9979 5.89865 30.8789 0.50294 TIMING: 692000 CPU: 2186.68, 0.00316142/step Wall: 2186.68, 0.00316142/step, 3.78317 hours remaining, 232.718750 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: 692000 4018.7702 20574.6816 14421.0482 241.7461 -202757.7133 2452.0208 0.0000 0.0000 52070.5186 -108978.9278 299.2500 -161049.4465 -108617.9595 299.9807 -238.9145 -210.3807 762186.4579 10.1006 9.9915 PRESSURE: 692200 13.613 106.85 -127.568 106.849 121.121 -194.427 -127.568 -194.427 203.643 GPRESSURE: 692200 61.8381 72.9091 -54.0568 71.3918 180.03 -189.612 -67.4834 -115.719 175.644 PRESSAVG: 692200 14.015 61.7019 55.0474 61.7018 -45.2408 4.57745 55.0474 4.57742 6.2918 GPRESSAVG: 692200 14.2729 59.6344 53.852 61.6117 -45.971 3.7278 56.2864 4.42977 7.00279 TIMING: 692200 CPU: 2187.31, 0.00318005/step Wall: 2187.31, 0.00318005/step, 3.80529 hours remaining, 232.718750 MB of memory in use. ENERGY: 692200 3964.0272 20508.9871 14507.6290 265.3522 -203390.3187 2944.7593 0.0000 0.0000 52117.9545 -109081.6094 299.5226 -161199.5639 -108718.3735 299.5005 112.7926 139.1708 763291.6230 -8.3113 -8.2318 LDB: ============= START OF LOAD BALANCING ============== 2199.84 LDB: ============== END OF LOAD BALANCING =============== 2199.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2199.85 LDB: ============= START OF LOAD BALANCING ============== 2200.16 LDB: Largest compute 7060 load 0.029699 is 15.2% of average load 0.195220 LDB: Average compute 0.004410 is 2.3% of average load 0.195220 LDB: TIME 2200.16 LOAD: AVG 0.19522 MAX 0.212406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.52 MB LDB: TIME 2200.16 LOAD: AVG 0.19522 MAX 0.212406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.52 MB LDB: TIME 2200.16 LOAD: AVG 0.19522 MAX 0.212406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.52 MB LDB: ============== END OF LOAD BALANCING =============== 2200.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2200.17 PRESSURE: 692400 -146.373 -2.61619 211.258 -2.61676 -202.683 -231.635 211.258 -231.635 303.1 GPRESSURE: 692400 -123.052 -47.9816 125.39 54.0524 -136.144 -297.299 179.405 -161.228 287.666 PRESSAVG: 692400 -4.23964 69.0525 -25.9058 69.0525 14.1857 -86.3993 -25.9057 -86.3993 -10.6035 GPRESSAVG: 692400 -4.43295 69.2244 -26.6071 71.2994 14.9018 -86.2003 -25.8389 -87.7166 -11.9325 TIMING: 692400 CPU: 2187.95, 0.00321198/step Wall: 2187.95, 0.00321198/step, 3.84332 hours remaining, 233.175781 MB of memory in use. ENERGY: 692400 4037.8194 20431.6769 14459.0211 234.6203 -203179.7133 2680.6734 0.0000 0.0000 52323.1300 -109012.7724 300.7017 -161335.9023 -108656.3438 299.4819 -15.3185 9.4897 763279.8747 -0.2192 -0.4879 PRESSURE: 692600 -222.889 31.3064 -164.664 31.3075 342.86 -26.7993 -164.665 -26.7999 241.482 GPRESSURE: 692600 -153.003 58.4198 -100.908 -56.922 267.99 38.8394 -163.961 -17.5743 323.056 PRESSAVG: 692600 -33.1292 67.3671 -61.7413 67.367 56.4122 -41.0754 -61.7412 -41.0755 8.90776 GPRESSAVG: 692600 -31.818 68.1096 -60.3079 64.9236 55.7661 -42.4287 -62.7183 -39.1283 9.02048 TIMING: 692600 CPU: 2188.59, 0.00315683/step Wall: 2188.59, 0.00315683/step, 3.77715 hours remaining, 233.695312 MB of memory in use. ENERGY: 692600 3871.2457 20478.9271 14538.0753 241.2238 -203322.4729 2926.2437 0.0000 0.0000 52519.4144 -108747.3431 301.8298 -161266.7574 -108379.6171 300.2010 120.4842 146.0146 762435.0840 10.7303 10.9895 PRESSURE: 692800 142.135 213.27 -125.153 213.269 193.066 -87.9269 -125.153 -87.9269 43.5489 GPRESSURE: 692800 201.739 243.98 -63.6673 148.393 140.959 9.86223 -69.9697 -186.387 129.398 PRESSAVG: 692800 -5.59068 55.5875 -29.977 55.5874 37.6638 -27.7399 -29.977 -27.7399 1.29174 GPRESSAVG: 692800 -6.6399 55.0973 -29.0187 56.2178 37.9042 -27.3046 -32.3095 -28.5918 2.05064 TIMING: 692800 CPU: 2189.22, 0.00316103/step Wall: 2189.22, 0.00316103/step, 3.782 hours remaining, 233.695312 MB of memory in use. ENERGY: 692800 3983.4901 20582.4121 14456.8080 245.2915 -203106.9036 2877.0064 0.0000 0.0000 52016.6166 -108945.2789 298.9402 -160961.8955 -108583.5273 300.0925 126.2499 157.3655 761305.2691 11.1216 11.1050 PRESSURE: 693000 290.556 -225.813 -43.3191 -225.812 105.204 -104.357 -43.3188 -104.357 103.168 GPRESSURE: 693000 370.237 -195.548 -108.897 -156.367 153.437 -155.287 21.1524 -195.959 77.9157 PRESSAVG: 693000 43.1092 -15.1116 -19.332 -15.1116 4.29707 64.2726 -19.332 64.2727 -16.7174 GPRESSAVG: 693000 43.6498 -15.7754 -21.2633 -14.5236 4.94464 63.3562 -17.4632 64.4916 -17.5053 TIMING: 693000 CPU: 2189.85, 0.00317363/step Wall: 2189.85, 0.00317363/step, 3.7969 hours remaining, 233.707031 MB of memory in use. ENERGY: 693000 3943.2471 20639.7675 14512.8127 253.9700 -203111.5629 2673.8806 0.0000 0.0000 52190.0233 -108897.8616 299.9368 -161087.8849 -108536.8475 300.2466 166.3091 200.5299 760870.5096 10.2296 10.3630 PRESSURE: 693200 -129.94 89.8289 131.021 89.8291 146.248 90.4766 131.021 90.4769 97.7836 GPRESSURE: 693200 -133.884 83.7409 118.583 140.122 154.569 103.092 137.381 35.0881 154.411 PRESSAVG: 693200 -50.9411 19.6082 -16.4655 19.6083 43.9079 42.7544 -16.4655 42.7544 5.46192 GPRESSAVG: 693200 -50.9299 20.8001 -15.3233 18.5958 43.4522 44.0206 -16.4201 43.5699 5.44189 TIMING: 693200 CPU: 2190.49, 0.00317325/step Wall: 2190.49, 0.00317325/step, 3.79626 hours remaining, 233.707031 MB of memory in use. ENERGY: 693200 4003.2196 20623.8151 14485.0575 240.0552 -203313.1508 2612.0842 0.0000 0.0000 52193.3007 -109155.6186 299.9556 -161348.9192 -108781.7497 300.2063 38.0307 58.3653 761747.7510 -0.5238 -0.6786 PRESSURE: 693400 -324.754 -11.8751 78.354 -11.8759 156.85 78.4508 78.3529 78.4502 322.9 GPRESSURE: 693400 -189.712 56.5952 52.7569 9.83119 124.723 113.348 64.8749 -32.5228 298.145 PRESSAVG: 693400 11.7037 31.9119 41.6948 31.9119 -24.0965 -14.8184 41.6948 -14.8184 17.7689 GPRESSAVG: 693400 11.5208 33.5442 42.9421 32.8481 -24.0051 -15.308 40.6521 -16.7058 17.5098 TIMING: 693400 CPU: 2191.12, 0.00316392/step Wall: 2191.12, 0.00316392/step, 3.78492 hours remaining, 233.707031 MB of memory in use. ENERGY: 693400 3997.9993 20542.8506 14520.7233 248.9844 -203520.3912 2904.4858 0.0000 0.0000 52339.7582 -108965.5896 300.7973 -161305.3478 -108598.8432 300.1356 51.6654 77.7188 760742.4318 1.7920 1.6752 PRESSURE: 693600 -404.902 40.968 85.7292 40.9674 -81.0486 159.337 85.7301 159.338 -323.8 GPRESSURE: 693600 -398.003 74.4598 37.7053 184.706 16.7944 219.784 76.3084 196.643 -344.386 PRESSAVG: 693600 6.38828 41.2649 40.6227 41.2649 -36.7261 17.7029 40.6227 17.7029 8.20027 GPRESSAVG: 693600 6.68284 41.8537 40.7175 40.2191 -38.2862 16.6972 41.6412 17.7964 9.2968 TIMING: 693600 CPU: 2191.75, 0.00316601/step Wall: 2191.75, 0.00316601/step, 3.78725 hours remaining, 233.707031 MB of memory in use. ENERGY: 693600 4011.6163 20661.4763 14440.1632 254.6686 -203177.0573 2620.7282 0.0000 0.0000 52141.3918 -109047.0131 299.6573 -161188.4049 -108680.6712 299.9215 -269.9170 -241.8649 762010.3836 -7.3792 -7.4355 PRESSURE: 693800 -355.586 39.0312 61.6339 39.0307 -108.528 -132.266 61.6347 -132.267 -477.318 GPRESSURE: 693800 -292.15 50.8386 68.6443 3.06225 -88.7514 -60.9272 165.124 -167.106 -483.398 PRESSAVG: 693800 -0.117794 30.4419 11.0733 30.4419 -29.4632 22.7355 11.0734 22.7354 12.1217 GPRESSAVG: 693800 -0.704872 27.6259 9.05921 30.2164 -28.1192 22.9425 9.97131 22.9738 11.3749 TIMING: 693800 CPU: 2192.38, 0.00315505/step Wall: 2192.38, 0.00315505/step, 3.77396 hours remaining, 233.707031 MB of memory in use. ENERGY: 693800 4088.0874 20621.6961 14458.3212 260.2221 -203190.8285 2417.5770 0.0000 0.0000 52191.3302 -109153.5946 299.9443 -161344.9247 -108793.2833 299.9083 -313.8106 -288.0998 762074.4280 -5.8198 -5.8164 PRESSURE: 694000 -170.606 -137.414 -231.604 -137.414 -19.91 162.793 -231.604 162.792 -34.934 GPRESSURE: 694000 -87.0391 -38.161 -358.364 -238.597 81.9912 199.073 -93.5541 243.743 -136.253 PRESSAVG: 694000 -14.3765 56.3872 4.67742 56.3872 41.7159 -0.822051 4.67747 -0.822056 10.594 GPRESSAVG: 694000 -13.5759 58.8215 5.05526 55.3311 41.2941 0.455916 5.892 -2.39528 9.94821 TIMING: 694000 CPU: 2193.02, 0.00316829/step Wall: 2193.02, 0.00316829/step, 3.78962 hours remaining, 233.707031 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: 694000 3958.9625 20575.5707 14500.1250 261.0630 -203204.5587 2513.1569 0.0000 0.0000 52294.0284 -109101.6521 300.5345 -161395.6805 -108741.4815 300.1389 -75.1499 -47.1004 761833.9295 12.6445 12.5555 PRESSURE: 694200 334.32 -110.018 -222.55 -110.019 195.394 -210.473 -222.55 -210.474 269.366 GPRESSURE: 694200 359.237 -184.067 -332.457 -69.1143 149.522 -255.18 -71.4789 -188.043 364.188 PRESSAVG: 694200 31.7305 38.6082 -24.5852 38.6082 7.16159 26.5562 -24.5852 26.5563 2.47875 GPRESSAVG: 694200 31.0963 35.9553 -24.5606 39.6347 6.38191 24.068 -24.2573 28.6145 3.68995 TIMING: 694200 CPU: 2193.65, 0.00318236/step Wall: 2193.65, 0.00318236/step, 3.80628 hours remaining, 233.707031 MB of memory in use. ENERGY: 694200 3952.3292 20608.1870 14439.6743 243.6711 -203658.6356 3046.4030 0.0000 0.0000 52392.4166 -108975.9543 301.0999 -161368.3709 -108604.5032 300.2483 266.3598 290.9821 761881.9447 13.7903 13.7227 PRESSURE: 694400 -231.616 124.338 212.623 124.337 -170.199 -25.5 212.623 -25.5009 -126.344 GPRESSURE: 694400 -222.647 77.7732 198.291 85.5589 -92.1473 -35.9157 134.034 53.6638 -123.183 PRESSAVG: 694400 25.7472 -47.8387 -7.62743 -47.8387 -2.80267 -9.51684 -7.62746 -9.51676 24.4776 GPRESSAVG: 694400 26.0999 -47.3948 -6.74342 -48.5285 -2.9847 -8.67272 -9.12849 -8.98003 24.2516 TIMING: 694400 CPU: 2194.29, 0.00318401/step Wall: 2194.29, 0.00318401/step, 3.80807 hours remaining, 233.707031 MB of memory in use. ENERGY: 694400 4044.0985 20530.9234 14503.4747 261.1160 -202874.6267 2388.9504 0.0000 0.0000 52226.3376 -108919.7260 300.1455 -161146.0636 -108553.5922 300.6038 -176.0528 -145.9924 762519.9489 15.8074 15.7889 PRESSURE: 694600 -106.403 -91.1764 126.614 -91.1761 -735.063 112.985 126.615 112.984 170.26 GPRESSURE: 694600 -129.142 -128.37 196.593 -9.76949 -650.747 178.467 90.1903 -12.565 192.207 PRESSAVG: 694600 34.7964 19.6968 -10.8232 19.6968 -21.9203 49.3332 -10.8232 49.3332 -0.985703 GPRESSAVG: 694600 34.2062 20.6616 -11.0586 20.465 -20.6163 49.4731 -9.79315 48.779 -1.69532 TIMING: 694600 CPU: 2194.93, 0.00318482/step Wall: 2194.93, 0.00318482/step, 3.80887 hours remaining, 233.707031 MB of memory in use. ENERGY: 694600 4144.9962 20583.3187 14508.2644 265.6442 -203012.9641 2440.3974 0.0000 0.0000 52072.7422 -108997.6011 299.2628 -161070.3433 -108645.3787 300.4273 -223.7351 -195.8938 762641.3730 3.9634 3.9649 PRESSURE: 694800 15.1599 -48.4397 -298.131 -48.4409 -213.437 207.823 -298.131 207.824 -123.234 GPRESSURE: 694800 84.525 -150.565 -265.64 -79.5775 -212.849 148.322 -288.045 145.258 -92.1032 PRESSAVG: 694800 2.78303 4.06927 -13.7532 4.06923 -5.2389 -16.9303 -13.7532 -16.9302 -7.57674 GPRESSAVG: 694800 3.09304 3.59793 -12.7016 3.45907 -4.78136 -17.5743 -14.7395 -18.3829 -8.06944 TIMING: 694800 CPU: 2195.56, 0.00317058/step Wall: 2195.56, 0.00317058/step, 3.79166 hours remaining, 233.707031 MB of memory in use. ENERGY: 694800 4133.8991 20612.8606 14418.8979 242.4308 -203254.9884 2761.2984 0.0000 0.0000 51989.8199 -109095.7818 298.7862 -161085.6016 -108733.4182 299.7885 -107.1703 -73.4758 762658.5749 -3.3442 -3.2526 PRESSURE: 695000 -209.958 16.1498 43.8473 16.1506 404.991 90.3951 43.8475 90.3941 192.713 GPRESSURE: 695000 -175.575 77.7998 30.5388 63.413 384.824 39.0185 93.1719 164.974 273.47 PRESSAVG: 695000 6.28034 47.9157 -33.8021 47.9158 -6.08499 -13.2206 -33.8021 -13.2206 -20.6109 GPRESSAVG: 695000 6.32217 49.606 -35.8565 48.5249 -6.62665 -12.1022 -32.4761 -13.2869 -19.3999 TIMING: 695000 CPU: 2196.19, 0.003148/step Wall: 2196.19, 0.003148/step, 3.76449 hours remaining, 233.707031 MB of memory in use. ENERGY: 695000 4042.7685 20675.1384 14502.3817 253.9195 -203264.6781 2608.7025 0.0000 0.0000 52094.6214 -109087.1461 299.3885 -161181.7676 -108720.8532 299.7348 129.2486 160.9064 761231.7491 -6.8052 -6.5681 PRESSURE: 695200 -199.913 -52.1862 161.959 -52.1862 207.034 39.4439 161.959 39.4447 -308.545 GPRESSURE: 695200 -98.4815 -2.34091 155.255 -13.9059 126.881 13.9207 99.0252 38.601 -257.647 PRESSAVG: 695200 -8.0642 45.2533 -31.4412 45.2533 29.8121 -50.7379 -31.4411 -50.7379 10.9633 GPRESSAVG: 695200 -9.12037 42.5638 -30.5677 47.0813 30.0615 -51.2714 -31.6905 -49.5004 11.8797 TIMING: 695200 CPU: 2196.83, 0.00318154/step Wall: 2196.83, 0.00318154/step, 3.80441 hours remaining, 233.707031 MB of memory in use. ENERGY: 695200 4013.7679 20641.8689 14577.5095 262.8942 -203057.3865 2348.6652 0.0000 0.0000 52136.5257 -109076.1552 299.6293 -161212.6809 -108706.9105 299.9289 -100.4745 -76.4157 760037.0616 10.9037 10.9403 PRESSURE: 695400 -193.544 151.089 68.5594 151.089 -91.298 144.647 68.5595 144.646 -88.1515 GPRESSURE: 695400 -204.756 47.4766 83.0306 159.988 47.045 206.496 35.06 -46.1858 -125.672 PRESSAVG: 695400 -5.37473 10.0061 -47.4832 10.006 23.8819 -3.69991 -47.4832 -3.69996 1.59262 GPRESSAVG: 695400 -5.50603 11.2125 -46.0512 8.19643 24.3516 -4.19427 -48.014 -5.18339 1.34381 TIMING: 695400 CPU: 2197.46, 0.00316198/step Wall: 2197.46, 0.00316198/step, 3.78085 hours remaining, 233.707031 MB of memory in use. ENERGY: 695400 3947.5293 20607.9065 14470.3893 249.0523 -203035.3155 2481.5606 0.0000 0.0000 52160.3451 -109118.5325 299.7662 -161278.8775 -108750.2937 299.7890 -124.3312 -94.4609 763413.2754 6.6999 6.7298 PRESSURE: 695600 -341.771 106.325 54.5937 106.326 -237.357 2.62275 54.5939 2.62109 397.46 GPRESSURE: 695600 -319.744 44.3364 83.9494 133.201 -108.604 79.8273 83.1412 11.6355 337.599 PRESSAVG: 695600 43.2963 19.002 77.2166 19.002 9.15513 -40.9657 77.2166 -40.9658 3.10552 GPRESSAVG: 695600 44.4282 19.0108 75.4928 19.2145 8.31437 -40.1944 79.4563 -39.6702 2.44721 TIMING: 695600 CPU: 2198.09, 0.00315507/step Wall: 2198.09, 0.00315507/step, 3.77241 hours remaining, 233.707031 MB of memory in use. ENERGY: 695600 3998.4535 20593.1011 14443.8173 247.5839 -203159.1967 2580.6696 0.0000 0.0000 52216.8317 -109078.7397 300.0908 -161295.5713 -108703.3314 299.7725 -60.5559 -30.2496 762985.2752 18.5190 18.3966 PRESSURE: 695800 -124.925 -99.4283 -38.0384 -99.4284 36.4186 5.85493 -38.0377 5.857 588.571 GPRESSURE: 695800 -77.9564 6.96571 -8.89026 32.6693 97.9725 30.6586 -71.3033 -10.0128 562.236 PRESSAVG: 695800 -3.35146 2.04489 32.2762 2.04485 0.883393 -5.54952 32.2762 -5.54948 -9.71131 GPRESSAVG: 695800 -3.38264 2.4312 32.9608 2.62424 1.70116 -5.70666 30.3608 -6.9398 -9.90962 TIMING: 695800 CPU: 2198.72, 0.00314551/step Wall: 2198.72, 0.00314551/step, 3.76081 hours remaining, 233.707031 MB of memory in use. ENERGY: 695800 3943.2721 20509.6661 14480.6662 262.6593 -202868.8390 2707.9077 0.0000 0.0000 51840.9828 -109123.6847 297.9308 -160964.6675 -108765.3525 299.8959 166.6882 194.0839 763170.5820 -4.0598 -3.8637 PRESSURE: 696000 -200.827 179.265 -84.5058 179.265 -474.405 -84.1821 -84.5061 -84.1815 -104.033 GPRESSURE: 696000 -139.547 158.727 -172.283 95.8356 -492.685 -50.7038 -8.51745 -70.3811 -61.2018 PRESSAVG: 696000 14.4602 -5.2026 17.3211 -5.20256 -11.538 -28.5448 17.3211 -28.5449 -19.913 GPRESSAVG: 696000 13.0967 -3.7688 17.1747 -5.55991 -10.8097 -29.0202 17.7266 -26.384 -19.5326 TIMING: 696000 CPU: 2199.35, 0.00315388/step Wall: 2199.35, 0.00315388/step, 3.77063 hours remaining, 233.707031 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: 696000 4078.9078 20560.0301 14436.9860 266.9418 -202995.4174 2438.4766 0.0000 0.0000 51905.6746 -109308.4004 298.3026 -161214.0750 -108948.3040 299.2947 -259.7549 -231.1443 762234.4840 -5.6636 -5.7486 PRESSURE: 696200 87.8414 20.3225 141.243 20.3215 -438.557 -15.0506 141.243 -15.0513 287.623 GPRESSURE: 696200 54.5616 -19.5589 107.886 30.4737 -348.482 -46.8013 243.975 -30.1368 327.785 PRESSAVG: 696200 -52.3052 35.507 -10.1431 35.507 7.84315 -40.9958 -10.1431 -40.9959 -15.3773 GPRESSAVG: 696200 -50.8111 36.1525 -10.4863 33.7815 7.10403 -40.2807 -8.03603 -42.4031 -16.5226 TIMING: 696200 CPU: 2199.99, 0.00316996/step Wall: 2199.99, 0.00316996/step, 3.78969 hours remaining, 233.707031 MB of memory in use. ENERGY: 696200 4010.0382 20538.9203 14384.3377 254.9721 -203100.2329 2592.1712 0.0000 0.0000 51987.6100 -109332.1834 298.7735 -161319.7934 -108962.8151 299.3027 -21.0308 11.2882 762307.0366 -19.9464 -20.0766 LDB: ============= START OF LOAD BALANCING ============== 2212.52 LDB: ============== END OF LOAD BALANCING =============== 2212.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2212.52 LDB: ============= START OF LOAD BALANCING ============== 2212.84 LDB: Largest compute 7060 load 0.031409 is 16.1% of average load 0.195170 LDB: Average compute 0.004405 is 2.3% of average load 0.195170 LDB: TIME 2212.84 LOAD: AVG 0.19517 MAX 0.214839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.664 MB LDB: TIME 2212.84 LOAD: AVG 0.19517 MAX 0.214839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: TIME 2212.84 LOAD: AVG 0.19517 MAX 0.214839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: ============== END OF LOAD BALANCING =============== 2212.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2212.85 PRESSURE: 696400 14.0868 98.9572 -63.7266 98.9571 148.969 158.197 -63.726 158.197 -391.464 GPRESSURE: 696400 60.231 98.2158 -101.068 76.6324 89.791 129.884 46.9123 89.5264 -284.246 PRESSAVG: 696400 -15.0768 -47.3619 -6.01331 -47.3619 31.3386 -5.71625 -6.01327 -5.71618 3.20325 GPRESSAVG: 696400 -15.1624 -49.9866 -5.55747 -45.172 31.2475 -4.5921 -7.08707 -6.55944 3.69002 TIMING: 696400 CPU: 2200.63, 0.00322667/step Wall: 2200.63, 0.00322667/step, 3.8573 hours remaining, 233.433594 MB of memory in use. ENERGY: 696400 3956.9405 20638.8866 14361.7752 240.3004 -203193.8910 2658.8331 0.0000 0.0000 52063.7396 -109273.4156 299.2110 -161337.1552 -108912.1839 298.7083 -76.1360 -44.7415 764391.8808 6.4884 6.5917 PRESSURE: 696600 -22.736 171.157 -320.79 171.157 -35.0608 -117.265 -320.79 -117.265 -240.109 GPRESSURE: 696600 -23.6052 198.713 -275.289 185.919 -17.5352 -79.9819 -205.374 -68.3642 -160.111 PRESSAVG: 696600 -11.373 6.08591 18.3208 6.08589 -8.14851 6.37043 18.3208 6.37042 3.49983 GPRESSAVG: 696600 -10.9542 6.83188 18.5212 5.11682 -7.62933 4.65462 18.0483 6.02716 3.13959 TIMING: 696600 CPU: 2201.26, 0.00313717/step Wall: 2201.26, 0.00313717/step, 3.75014 hours remaining, 233.761719 MB of memory in use. ENERGY: 696600 3995.2235 20645.4712 14511.4453 245.5752 -203157.4584 2667.9547 0.0000 0.0000 52160.6459 -108931.1426 299.7679 -161091.7885 -108563.4907 299.7541 -99.3019 -67.0837 762799.1919 -5.3406 -5.1480 PRESSURE: 696800 -451.087 88.0404 -134.537 88.0404 -35.2278 68.3708 -134.537 68.37 -128.955 GPRESSURE: 696800 -335.189 -17.0695 -75.2456 156.942 -25.2213 151.042 -221.132 8.88047 -166.661 PRESSAVG: 696800 56.2115 0.475536 34.4309 0.475483 28.1652 -42.7222 34.4308 -42.7223 25.7878 GPRESSAVG: 696800 57.588 1.53238 33.9921 1.25607 27.3158 -42.0665 34.9628 -41.9729 25.8386 TIMING: 696800 CPU: 2201.89, 0.00313877/step Wall: 2201.89, 0.00313877/step, 3.75188 hours remaining, 233.761719 MB of memory in use. ENERGY: 696800 4067.3029 20508.9356 14546.8064 242.5577 -202973.0416 2502.0992 0.0000 0.0000 52257.6986 -108847.6412 300.3257 -161105.3397 -108493.6262 300.5806 -205.0898 -175.6907 763215.9039 36.7215 36.9141 PRESSURE: 697000 -328.302 -171.942 107.58 -171.941 196.219 -92.9321 107.581 -92.9304 271.22 GPRESSURE: 697000 -232.804 -166.818 197.217 -176.562 223.637 -75.4787 34.3303 36.9513 232.95 PRESSAVG: 697000 -19.4135 -68.7699 22.5093 -68.7699 12.2147 -0.867605 22.5093 -0.867628 -7.31559 GPRESSAVG: 697000 -19.7547 -68.0871 23.706 -69.0834 12.935 -1.42425 20.8937 -0.447725 -7.31836 TIMING: 697000 CPU: 2202.51, 0.00314481/step Wall: 2202.51, 0.00314481/step, 3.75892 hours remaining, 233.761719 MB of memory in use. ENERGY: 697000 3982.0809 20511.0805 14478.8159 251.5315 -203028.6988 2522.5236 0.0000 0.0000 52321.5088 -108961.1576 300.6924 -161282.6664 -108592.6469 299.6768 46.3787 74.5945 764952.5952 -4.8381 -4.7127 PRESSURE: 697200 -58.214 57.2967 -55.943 57.2961 111.6 8.25877 -55.9435 8.25955 231.799 GPRESSURE: 697200 0.88598 -45.694 3.30641 105.786 91.5772 -68.3919 -143.363 -23.1697 263.103 PRESSAVG: 697200 38.148 -5.49585 66.3794 -5.49583 -36.8064 32.1252 66.3794 32.1253 2.61833 GPRESSAVG: 697200 37.688 -7.82852 64.4755 -5.35286 -36.9577 30.8298 66.2088 34.1036 3.55115 TIMING: 697200 CPU: 2203.14, 0.00315045/step Wall: 2203.14, 0.00315045/step, 3.76548 hours remaining, 233.761719 MB of memory in use. ENERGY: 697200 3898.1076 20724.5771 14457.1292 240.0691 -203109.2264 2744.2106 0.0000 0.0000 52221.5806 -108823.5522 300.1181 -161045.1328 -108466.1679 300.1839 95.0615 118.5221 763700.7387 1.3200 1.4271 PRESSURE: 697400 -4.9243 51.4075 -32.2287 51.4072 -178.518 150.556 -32.2279 150.556 -12.4945 GPRESSURE: 697400 183.966 64.5937 -31.945 28.8667 -186.977 21.8182 -34.4171 162.894 -95.2298 PRESSAVG: 697400 -23.7531 -50.4539 2.2143 -50.4539 27.3944 -8.6661 2.21429 -8.66604 -8.26694 GPRESSAVG: 697400 -22.4508 -47.8054 3.76496 -51.5164 26.8927 -7.63267 1.45823 -11.0625 -8.66071 TIMING: 697400 CPU: 2203.77, 0.00314677/step Wall: 2203.77, 0.00314677/step, 3.76091 hours remaining, 233.750000 MB of memory in use. ENERGY: 697400 4010.8428 20575.7516 14440.7663 255.3876 -203272.7247 2784.9308 0.0000 0.0000 52268.9604 -108936.0851 300.3904 -161205.0455 -108579.3448 300.0378 -65.3124 -32.7470 763114.3291 -1.5419 -1.4063 PRESSURE: 697600 -138.362 -64.9979 -59.078 -64.9975 -232.423 232.973 -59.0783 232.973 -417.726 GPRESSURE: 697600 -70.858 -13.3758 -50.1415 16.7655 -199.737 185.453 -86.0547 83.1484 -442.434 PRESSAVG: 697600 59.3605 9.28957 -27.4127 9.28954 -64.0054 9.16711 -27.4127 9.167 -17.5359 GPRESSAVG: 697600 59.2937 7.83242 -28.0759 11.365 -63.5146 8.32918 -27.2352 11.1274 -17.9785 TIMING: 697600 CPU: 2204.41, 0.00317197/step Wall: 2204.41, 0.00317197/step, 3.79086 hours remaining, 233.761719 MB of memory in use. ENERGY: 697600 4026.2752 20614.2778 14526.7400 245.7838 -203239.3304 2753.6706 0.0000 0.0000 52106.0729 -108966.5102 299.4543 -161072.5831 -108602.1890 300.1768 -262.8369 -237.6763 764338.1198 -7.3936 -7.3998 PRESSURE: 697800 -183.15 -26.5896 13.0832 -26.5895 -25.0096 -39.7023 13.0836 -39.7028 -159.031 GPRESSURE: 697800 -221.022 -133.634 7.86673 -120.526 16.4663 -93.2836 -127.855 8.45268 -65.9397 PRESSAVG: 697800 33.6875 -36.5598 26.9626 -36.5598 -45.6907 -27.3751 26.9627 -27.3751 -0.55985 GPRESSAVG: 697800 32.4157 -37.5615 25.8139 -35.3005 -45.5526 -26.4988 29.4343 -30.9986 0.329434 TIMING: 697800 CPU: 2205.04, 0.00317036/step Wall: 2205.04, 0.00317036/step, 3.78875 hours remaining, 233.761719 MB of memory in use. ENERGY: 697800 3925.7332 20575.0191 14532.0718 262.1266 -203239.1750 2825.4029 0.0000 0.0000 52306.2254 -108812.5961 300.6046 -161118.8215 -108460.0736 299.7938 -122.3968 -90.1652 765391.5486 -4.1877 -4.2692 PRESSURE: 698000 -24.9157 49.1811 179.91 49.1808 213.606 -111.417 179.91 -111.417 309.044 GPRESSURE: 698000 -76.2838 -49.2696 282.926 107.126 178.276 -194.246 18.7558 -7.56482 475.85 PRESSAVG: 698000 -21.1259 24.5358 -19.8382 24.5358 14.1112 -13.1105 -19.8382 -13.1106 -25.3737 GPRESSAVG: 698000 -20.143 25.5233 -18.1607 22.5649 12.1305 -13.5393 -22.2626 -11.0883 -25.2848 TIMING: 698000 CPU: 2205.67, 0.00315877/step Wall: 2205.67, 0.00315877/step, 3.77473 hours remaining, 233.761719 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: 698000 3987.3997 20476.2742 14536.6984 239.8708 -203376.9924 2784.7664 0.0000 0.0000 52314.4349 -109037.5479 300.6518 -161351.9828 -108677.8401 300.2777 165.9113 192.6141 762687.6284 -10.7961 -11.0991 PRESSURE: 698200 173.372 64.7989 125.295 64.7994 95.7213 48.2353 125.295 48.234 137.113 GPRESSURE: 698200 232.759 77.211 133.996 -19.4234 129.337 -15.3595 136.98 -19.601 123.513 PRESSAVG: 698200 15.5694 72.8599 2.32562 72.8599 -58.5802 33.1059 2.32562 33.1059 25.6908 GPRESSAVG: 698200 14.2972 69.8685 2.6797 73.8245 -57.8274 33.5967 1.78781 31.5983 26.4545 TIMING: 698200 CPU: 2206.31, 0.0031542/step Wall: 2206.31, 0.0031542/step, 3.76909 hours remaining, 233.761719 MB of memory in use. ENERGY: 698200 4018.8461 20534.2261 14505.1565 265.2038 -203068.2498 2658.1361 0.0000 0.0000 51929.3895 -109157.2919 298.4389 -161086.6813 -108803.4780 299.7145 135.4022 161.8700 762996.6454 -5.7733 -5.6919 PRESSURE: 698400 -164.914 121.128 -178.461 121.128 -240.008 -100.332 -178.462 -100.332 243.113 GPRESSURE: 698400 -21.1575 58.0267 -140.847 115.235 -189.199 -99.6959 -107.386 41.1694 143.826 PRESSAVG: 698400 28.0106 45.6196 -2.55917 45.6196 -27.2058 -16.5968 -2.55914 -16.5967 4.67311 GPRESSAVG: 698400 29.4866 47.8701 -2.08881 42.8569 -27.4494 -16.8345 0.22388 -14.9607 3.64249 TIMING: 698400 CPU: 2206.93, 0.00314729/step Wall: 2206.93, 0.00314729/step, 3.76066 hours remaining, 233.761719 MB of memory in use. ENERGY: 698400 3923.3459 20490.5022 14449.8484 224.6068 -203204.8234 2645.2897 0.0000 0.0000 52385.5766 -109085.6538 301.0606 -161471.2304 -108721.1929 299.5587 -53.9363 -22.1769 765420.4130 1.8260 1.8932 PRESSURE: 698600 284.827 -290.519 56.1764 -290.519 199.067 59.4528 56.1774 59.453 -238.207 GPRESSURE: 698600 235.347 -368.575 18.5473 -144.595 215.78 -76.9962 22.9684 -39.3714 -133.855 PRESSAVG: 698600 41.232 45.187 74.4139 45.187 -16.7408 -9.1927 74.4139 -9.1928 9.53316 GPRESSAVG: 698600 40.5093 44.9622 75.4568 48.2839 -16.0244 -8.9484 71.1212 -9.39492 9.31927 TIMING: 698600 CPU: 2207.57, 0.00316605/step Wall: 2207.57, 0.00316605/step, 3.78291 hours remaining, 233.761719 MB of memory in use. ENERGY: 698600 3930.8386 20737.3118 14443.2290 257.2720 -202895.1573 2618.9008 0.0000 0.0000 51798.4811 -109109.1241 297.6866 -160907.6051 -108761.7406 299.3942 81.8957 105.7574 764456.6480 11.3414 11.2681 PRESSURE: 698800 254.715 29.7357 -136.092 29.7363 364.238 1.32328 -136.092 1.32281 34.3435 GPRESSURE: 698800 271.922 -2.91844 -122.645 -60.8804 379.687 -53.7322 10.7645 -13.8586 83.5629 PRESSAVG: 698800 -8.21676 42.468 41.1756 42.468 -16.2525 -7.11786 41.1756 -7.11786 1.12988 GPRESSAVG: 698800 -9.19748 42.2163 38.7652 40.9455 -16.2086 -6.34363 42.1834 -7.09753 1.77943 TIMING: 698800 CPU: 2208.2, 0.00318193/step Wall: 2208.2, 0.00318193/step, 3.8017 hours remaining, 233.761719 MB of memory in use. ENERGY: 698800 3951.6587 20477.7895 14545.7563 239.1801 -203422.8468 2907.0107 0.0000 0.0000 52329.3794 -108972.0720 300.7377 -161301.4514 -108607.0947 299.7804 217.7656 245.0572 761719.1536 -7.7798 -7.8755 PRESSURE: 699000 -176.134 192.42 -3.31308 192.42 51.0915 109.364 -3.31305 109.363 -110.323 GPRESSURE: 699000 -93.9209 132.205 12.3023 279.795 77.4859 97.4101 -64.6096 99.8488 -125.69 PRESSAVG: 699000 -1.94233 74.0792 38.9427 74.0792 25.9202 -11.3053 38.9427 -11.3053 -27.2906 GPRESSAVG: 699000 -1.69659 75.415 38.6714 74.6705 25.708 -11.7481 40.4664 -13.3872 -26.9921 TIMING: 699000 CPU: 2208.84, 0.0031641/step Wall: 2208.84, 0.0031641/step, 3.78022 hours remaining, 233.761719 MB of memory in use. ENERGY: 699000 4061.2835 20558.6048 14464.7592 232.9561 -202876.5378 2520.5766 0.0000 0.0000 52212.8432 -108825.5144 300.0679 -161038.3576 -108467.2064 299.8506 -78.4553 -47.3749 762435.2607 -1.1042 -0.9935 PRESSURE: 699200 -34.112 115.803 -43.4721 115.803 28.6482 63.1505 -43.4726 63.1518 -226.772 GPRESSURE: 699200 -14.2925 10.389 -39.9909 123.225 28.7999 65.7352 -170.609 115.125 -175.886 PRESSAVG: 699200 -66.6395 53.3593 72.5054 53.3593 90.7357 46.8704 72.5055 46.8704 5.40963 GPRESSAVG: 699200 -65.7594 52.5289 73.9663 54.2174 89.7918 47.8391 68.2462 49.7517 4.88837 TIMING: 699200 CPU: 2209.47, 0.0031437/step Wall: 2209.47, 0.0031437/step, 3.75567 hours remaining, 233.761719 MB of memory in use. ENERGY: 699200 4056.4078 20637.6744 14509.1451 230.3004 -203181.0166 2668.3751 0.0000 0.0000 52380.8289 -108698.2849 301.0333 -161079.1138 -108342.5513 300.3154 -77.4119 -53.7929 761917.5205 9.8353 9.6403 PRESSURE: 699400 -254.86 305.387 99.3411 305.387 -230.536 157.419 99.3404 157.419 192.066 GPRESSURE: 699400 -213.694 262.528 85.8406 217.995 -211.537 237.763 84.8185 142.997 210.231 PRESSAVG: 699400 1.52497 18.5995 -17.3778 18.5995 9.92976 -4.29757 -17.3778 -4.29749 -9.11861 GPRESSAVG: 699400 0.558661 20.6436 -17.7857 17.2248 10.8131 -6.56575 -15.0002 -4.46878 -9.13841 TIMING: 699400 CPU: 2210.09, 0.0031364/step Wall: 2210.09, 0.0031364/step, 3.74678 hours remaining, 233.761719 MB of memory in use. ENERGY: 699400 4007.7616 20685.8583 14513.8642 250.4642 -202805.1545 2480.6866 0.0000 0.0000 52178.8051 -108687.7146 299.8723 -160866.5197 -108313.6069 300.8065 -97.7767 -71.6670 763295.4552 0.7787 0.7444 PRESSURE: 699600 -24.3207 -17.0402 -34.4779 -17.0401 17.1854 -124.815 -34.478 -124.816 167.229 GPRESSURE: 699600 48.7918 57.072 -70.6936 -11.9197 8.50996 -74.7065 30.024 -112.657 190.275 PRESSAVG: 699600 18.1773 27.1149 -12.1846 27.1149 -54.8373 -9.31475 -12.1846 -9.31481 9.23989 GPRESSAVG: 699600 18.0609 23.8588 -13.5982 27.9592 -54.8238 -8.66737 -11.4278 -9.04953 9.53244 TIMING: 699600 CPU: 2210.72, 0.00315892/step Wall: 2210.72, 0.00315892/step, 3.77351 hours remaining, 233.761719 MB of memory in use. ENERGY: 699600 4033.2605 20706.1156 14426.0233 258.4928 -202675.9993 2463.0861 0.0000 0.0000 52077.8665 -108711.1545 299.2922 -160789.0210 -108359.8472 300.2536 53.3647 82.5257 762182.3423 -9.1400 -9.0768 PRESSURE: 699800 41.2378 80.5323 66.988 80.5323 331.326 211.275 66.9876 211.275 332.564 GPRESSURE: 699800 218.018 81.1779 103.982 51.5901 275.614 198.538 72.9589 76.8462 285.125 PRESSAVG: 699800 9.07361 9.0722 4.84592 9.0722 -10.5296 3.56932 4.84593 3.56934 10.957 GPRESSAVG: 699800 10.1743 11.4883 5.1401 6.6455 -11.8335 3.16675 4.26171 2.57281 11.1485 TIMING: 699800 CPU: 2211.36, 0.00315677/step Wall: 2211.36, 0.00315677/step, 3.77076 hours remaining, 233.761719 MB of memory in use. ENERGY: 699800 4034.2917 20480.3286 14462.9755 254.4558 -203211.9695 2790.3868 0.0000 0.0000 52233.3190 -108956.2121 300.1856 -161189.5311 -108596.9820 300.4151 235.0425 259.5856 761710.2748 3.1670 3.1631 WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES WRITING COORDINATES TO DCD FILE MD.1.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, 233.762 MB of memory in use PRESSURE: 700000 -289.438 10.4743 -202.603 10.4733 -438.822 195.719 -202.604 195.719 11.5777 GPRESSURE: 700000 -299.12 -62.9852 -209.699 -67.8704 -343.967 99.1443 -78.9763 139.821 4.77883 PRESSAVG: 700000 49.6954 31.6227 27.2683 31.6227 8.94551 26.5959 27.2684 26.596 -23.4826 GPRESSAVG: 700000 49.4315 30.5371 26.5474 32.5913 10.7487 28.3785 26.6944 26.819 -24.9365 TIMING: 700000 CPU: 2212.01, 0.003259/step Wall: 2212.01, 0.003259/step, 3.89269 hours remaining, 233.761719 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: 700000 3975.9372 20608.8627 14393.5325 248.1544 -202710.5740 2304.5895 0.0000 0.0000 51997.0869 -109182.4107 298.8280 -161179.4976 -108823.3385 299.6560 -238.8941 -212.7695 761644.7279 11.7194 11.7479 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 PRESSURE: 700200 153.224 -10.5778 46.249 -10.5779 -128.791 229.226 46.2483 229.226 -0.747373 GPRESSURE: 700200 146.638 7.79606 -20.2476 -132.827 -87.609 152.353 215.916 225.41 40.9949 PRESSAVG: 700200 2.29836 -4.17096 25.7027 -4.17098 -9.27776 -14.0353 25.7028 -14.0353 -11.5064 GPRESSAVG: 700200 2.06249 -5.58924 27.2706 -3.33398 -9.93862 -15.9985 28.2948 -14.1271 -10.4738 TIMING: 700200 CPU: 2212.64, 0.0031787/step Wall: 2212.64, 0.0031787/step, 3.7966 hours remaining, 233.761719 MB of memory in use. ENERGY: 700200 4035.3213 20489.0589 14522.0685 232.7933 -203202.4469 2579.9898 0.0000 0.0000 52117.2572 -109225.9579 299.5186 -161343.2151 -108871.2103 299.3456 7.8953 33.3412 760285.1948 -6.1619 -6.1166 LDB: ============= START OF LOAD BALANCING ============== 2225.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2225.18 LDB: =============== DONE WITH MIGRATION ================ 2225.18 LDB: ============= START OF LOAD BALANCING ============== 2225.5 LDB: Largest compute 7060 load 0.031839 is 16.3% of average load 0.195187 LDB: Average compute 0.004434 is 2.3% of average load 0.195187 LDB: TIME 2225.5 LOAD: AVG 0.195187 MAX 0.213982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 2225.5 LOAD: AVG 0.195187 MAX 0.213982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: TIME 2225.5 LOAD: AVG 0.195187 MAX 0.213982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.562 MB LDB: ============== END OF LOAD BALANCING =============== 2225.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2225.51 PRESSURE: 700400 342.069 139.98 181.615 139.98 481.81 -88.1842 181.616 -88.1849 378.159 GPRESSURE: 700400 394.475 170.039 148.49 77.7136 475.899 -142.832 137.178 -130.802 424.167 PRESSAVG: 700400 77.7792 -13.0014 56.4991 -13.0014 -48.1931 -22.7181 56.4991 -22.718 -2.1711 GPRESSAVG: 700400 79.0202 -10.1132 56.9768 -15.4779 -49.9607 -21.794 54.9314 -22.1359 -1.30346 TIMING: 700400 CPU: 2213.29, 0.00322974/step Wall: 2213.29, 0.00322974/step, 3.85739 hours remaining, 232.925781 MB of memory in use. ENERGY: 700400 3983.1751 20467.1088 14504.1295 247.1882 -202821.4765 2599.9357 0.0000 0.0000 51877.6730 -109142.2662 298.1417 -161019.9393 -108778.6570 299.5407 400.6793 431.5137 760585.1228 9.1384 9.2520 PRESSURE: 700600 158.182 263.55 176.898 263.55 18.1142 -7.30599 176.899 -7.30643 14.3041 GPRESSURE: 700600 219.723 151.629 239.937 150.275 49.6321 -47.2561 109.067 -68.5246 10.0804 PRESSAVG: 700600 44.8608 60.8995 -3.93346 60.8995 -54.6976 -29.0882 -3.93346 -29.0882 19.1124 GPRESSAVG: 700600 42.8675 58.5954 -5.41322 62.5913 -53.3028 -28.1401 -3.18477 -31.2863 19.6818 TIMING: 700600 CPU: 2213.92, 0.00316576/step Wall: 2213.92, 0.00316576/step, 3.7808 hours remaining, 232.925781 MB of memory in use. ENERGY: 700600 3986.4870 20435.0630 14461.3375 252.6253 -202824.8054 2567.3229 0.0000 0.0000 52114.5058 -109007.4639 299.5028 -161121.9697 -108644.7843 299.5908 63.5333 93.1451 763318.3403 3.0919 3.0822 PRESSURE: 700800 -60.3635 355.662 -109.719 355.662 -256.167 86.2524 -109.719 86.2535 -52.3166 GPRESSURE: 700800 -15.3944 220.182 -80.3937 273.633 -229.164 43.7115 28.0971 48.149 -30.4988 PRESSAVG: 700800 60.0055 8.93502 -101.058 8.93498 -32.1692 1.1813 -101.058 1.18137 -2.26943 GPRESSAVG: 700800 60.9054 11.4132 -100.595 7.65845 -32.1374 0.962107 -100.555 2.56138 -3.28045 TIMING: 700800 CPU: 2214.56, 0.00316121/step Wall: 2214.56, 0.00316122/step, 3.77519 hours remaining, 232.925781 MB of memory in use. ENERGY: 700800 4012.5884 20499.3968 14493.6632 278.9373 -202447.8215 2302.3940 0.0000 0.0000 51883.1844 -108977.6573 298.1734 -160860.8418 -108617.9246 299.2460 -122.9491 -91.6858 763020.6816 8.5223 8.4959 PRESSURE: 701000 73.0293 110.412 100.136 110.413 -24.9263 84.7306 100.136 84.7306 262.181 GPRESSURE: 701000 68.8556 116.017 7.57185 80.4744 39.2478 89.4978 61.5893 50.6025 296.594 PRESSAVG: 701000 -68.391 47.7933 -6.53324 47.7934 15.1323 -16.9697 -6.53327 -16.9697 -3.74213 GPRESSAVG: 701000 -68.0531 46.5096 -6.13969 50.5 13.6267 -19.1801 -9.39157 -17.6672 -2.37328 TIMING: 701000 CPU: 2215.19, 0.00316987/step Wall: 2215.19, 0.00316987/step, 3.78535 hours remaining, 233.050781 MB of memory in use. ENERGY: 701000 4024.1292 20416.2290 14482.4794 248.3771 -202833.5494 2570.5943 0.0000 0.0000 52084.2494 -109007.4911 299.3289 -161091.7405 -108647.9530 299.7040 103.4281 134.8992 761704.1690 -19.0003 -18.9332 PRESSURE: 701200 -25.1047 156.704 10.9236 156.704 -25.2254 48.3294 10.9239 48.33 118.587 GPRESSURE: 701200 24.262 186.15 -22.5597 195.051 -49.0649 71.2937 -9.08858 49.9456 168.873 PRESSAVG: 701200 -17.3141 3.84893 19.4693 3.84887 4.59181 -17.2628 19.4693 -17.2628 31.4568 GPRESSAVG: 701200 -16.7371 4.48242 20.7062 1.14319 4.63403 -17.0539 21.2657 -17.3631 30.8423 TIMING: 701200 CPU: 2215.82, 0.00316134/step Wall: 2215.82, 0.00316134/step, 3.77499 hours remaining, 233.050781 MB of memory in use. ENERGY: 701200 4000.7786 20510.3126 14447.9271 228.0668 -202565.5871 2211.8239 0.0000 0.0000 52213.9411 -108952.7369 300.0742 -161166.6780 -108585.9222 299.6841 22.7524 48.0232 763621.3424 6.2448 6.2464 PRESSURE: 701400 -333.8 207.002 323.1 207.002 -20.5815 -41.1681 323.099 -41.1672 -254.376 GPRESSURE: 701400 -313.263 100.694 331.065 124.948 -47.7759 -30.3567 423.842 -73.2735 -156.656 PRESSAVG: 701400 -26.3274 52.3558 1.65604 52.3558 5.6789 -14.6746 1.65596 -14.6746 6.28526 GPRESSAVG: 701400 -25.2294 49.6016 0.889931 55.0545 5.11635 -14.1584 1.22449 -13.54 5.96933 TIMING: 701400 CPU: 2216.45, 0.00316498/step Wall: 2216.45, 0.00316498/step, 3.77916 hours remaining, 233.253906 MB of memory in use. ENERGY: 701400 4057.9801 20423.5245 14386.4727 243.8699 -202600.9742 2412.2049 0.0000 0.0000 52001.8146 -109075.1075 298.8551 -161076.9221 -108711.7180 299.7340 -202.9190 -172.5649 763801.8225 -4.7877 -4.7146 PRESSURE: 701600 -16.1173 -6.05351 -104.417 -6.05299 231.626 59.5845 -104.418 59.5838 393.425 GPRESSURE: 701600 140.705 -131.16 -140.797 21.5433 190.075 33.5949 -98.4427 25.9523 372.592 PRESSAVG: 701600 1.16518 51.9561 -3.29466 51.956 -16.3503 33.0774 -3.29466 33.0774 19.3332 GPRESSAVG: 701600 1.08795 51.5986 -5.238 51.837 -16.505 33.9499 -2.98334 32.4593 19.7391 TIMING: 701600 CPU: 2217.09, 0.00317149/step Wall: 2217.09, 0.00317149/step, 3.78676 hours remaining, 233.253906 MB of memory in use. ENERGY: 701600 3955.6115 20686.9916 14462.1800 225.1434 -202778.0310 2662.5560 0.0000 0.0000 51942.3966 -108843.1519 298.5137 -160785.5485 -108491.0952 299.5427 202.9779 234.4575 763119.8587 1.3827 1.4407 PRESSURE: 701800 66.8799 -72.8446 -11.1011 -72.844 256.824 -59.0971 -11.1008 -59.0978 -147.084 GPRESSURE: 701800 168.915 -138.719 45.7227 -97.8223 200.446 -6.57279 -7.89716 -185.163 -123.77 PRESSAVG: 701800 -28.8767 -20.8445 -27.637 -20.8445 17.8894 5.27075 -27.637 5.27081 -4.04284 GPRESSAVG: 701800 -28.9294 -19.3355 -27.0193 -20.1935 17.9967 5.96925 -28.5967 2.30478 -4.34435 TIMING: 701800 CPU: 2217.72, 0.0031656/step Wall: 2217.72, 0.0031656/step, 3.77955 hours remaining, 233.253906 MB of memory in use. ENERGY: 701800 3955.7416 20635.6576 14383.3113 254.5399 -202677.8054 2787.3911 0.0000 0.0000 52078.1904 -108582.9735 299.2941 -160661.1639 -108234.4592 300.1443 58.8732 81.8638 762666.7369 -5.0101 -5.0924 PRESSURE: 702000 -227.386 -82.7891 25.6559 -82.7879 -77.6305 70.4596 25.6551 70.459 -203.031 GPRESSURE: 702000 -218.921 -74.3086 63.8152 -171.812 -36.0019 121.316 -0.34298 57.0889 -192.797 PRESSAVG: 702000 3.46639 -1.50489 -0.420708 -1.50482 -24.1385 13.2902 -0.420759 13.2902 -4.66619 GPRESSAVG: 702000 2.23104 -0.2848 0.815227 -4.93063 -23.1853 12.2162 -0.422914 16.6517 -4.76967 TIMING: 702000 CPU: 2218.35, 0.00316043/step Wall: 2218.35, 0.00316043/step, 3.7732 hours remaining, 233.253906 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: 702000 3987.8988 20558.5511 14418.7188 264.7535 -202073.0600 2098.6487 0.0000 0.0000 52408.0401 -108336.4490 301.1897 -160744.4891 -107971.1042 300.4283 -169.3492 -149.2399 763810.8072 -8.4461 -8.5746 PRESSURE: 702200 -232.671 283.4 17.5404 283.4 -125.245 44.7504 17.5405 44.7495 218.02 GPRESSURE: 702200 -196.741 277.504 27.3408 272.277 0.0821808 -44.8237 -138.901 32.3143 144.546 PRESSAVG: 702200 22.3947 4.63856 -11.5648 4.63858 4.61429 22.8727 -11.5648 22.8726 -22.5222 GPRESSAVG: 702200 22.9688 3.25581 -10.5565 6.99064 4.79553 21.0823 -13.9631 23.2497 -23.2486 TIMING: 702200 CPU: 2218.98, 0.00315534/step Wall: 2218.98, 0.00315534/step, 3.76695 hours remaining, 233.253906 MB of memory in use. ENERGY: 702200 4020.3311 20460.6678 14422.1730 246.4193 -202373.2275 2518.9417 0.0000 0.0000 52279.1180 -108425.5766 300.4488 -160704.6946 -108074.2631 300.7961 -46.6318 -17.3711 763274.3174 1.4956 1.5053 PRESSURE: 702400 148.066 -25.0514 -298.451 -25.0516 -28.5097 58.2928 -298.451 58.2933 402.054 GPRESSURE: 702400 190.298 74.3046 -281.253 46.1739 30.8481 126.102 -211.091 128.418 378.638 PRESSAVG: 702400 -23.6774 47.3966 -62.3529 47.3965 -27.0177 -13.1105 -62.3529 -13.1105 -8.22098 GPRESSAVG: 702400 -24.3194 47.7739 -63.8801 47.8738 -26.3747 -11.3688 -59.978 -14.083 -8.21384 TIMING: 702400 CPU: 2219.61, 0.0031417/step Wall: 2219.61, 0.0031417/step, 3.75049 hours remaining, 233.253906 MB of memory in use. ENERGY: 702400 3978.5666 20513.6464 14478.7387 259.9469 -202398.9329 2457.9910 0.0000 0.0000 52140.8151 -108569.2283 299.6540 -160710.0434 -108208.8938 300.4959 173.8702 199.9280 762771.8748 -19.6387 -19.6360 PRESSURE: 702600 48.9634 243.082 16.4766 243.082 2.78417 -260.658 16.4769 -260.657 -44.0057 GPRESSURE: 702600 14.6102 178.699 -69.8255 277.059 70.9548 -344.004 143.531 -138.385 -4.16465 PRESSAVG: 702600 -3.8092 -14.7872 -4.5704 -14.7871 40.4711 -22.8572 -4.57044 -22.8571 -21.902 GPRESSAVG: 702600 -3.44772 -14.5041 -5.41086 -14.5081 39.1987 -23.4643 -4.17199 -22.7986 -21.0289 TIMING: 702600 CPU: 2220.24, 0.00314728/step Wall: 2220.24, 0.00314728/step, 3.75697 hours remaining, 233.253906 MB of memory in use. ENERGY: 702600 3996.5019 20651.7077 14502.8945 252.8163 -202532.7677 2428.3800 0.0000 0.0000 52004.1667 -108696.3008 298.8687 -160700.4675 -108338.0035 300.4163 2.5806 27.1334 762204.2905 4.9200 4.9074 PRESSURE: 702800 -112.271 112.833 -164.365 112.833 -284.02 180.116 -164.365 180.116 -197.283 GPRESSURE: 702800 -0.597207 39.5104 -67.4514 46.5494 -308.077 151.337 -34.5496 121.64 -198.368 PRESSAVG: 702800 -16.9292 86.6978 20.3765 86.6978 29.3478 5.95318 20.3765 5.95317 10.0944 GPRESSAVG: 702800 -18.1151 86.8709 21.6152 84.645 30.7903 5.82728 19.6365 6.37875 10.0141 TIMING: 702800 CPU: 2220.87, 0.0031434/step Wall: 2220.87, 0.0031434/step, 3.75218 hours remaining, 233.253906 MB of memory in use. ENERGY: 702800 4033.8130 20498.3888 14443.4311 226.1113 -202960.9569 2759.3418 0.0000 0.0000 52276.1075 -108723.7634 300.4315 -160999.8709 -108363.1024 300.1757 -197.8581 -169.0141 763681.4603 7.5043 7.5631 PRESSURE: 703000 -115.067 97.7214 -67.3887 97.7216 -413.647 133.63 -67.3884 133.631 38.5822 GPRESSURE: 703000 -32.1545 86.2699 -78.2816 82.1569 -428.634 162.967 -37.8191 57.17 46.4674 PRESSAVG: 703000 -10.3915 5.44024 36.3328 5.44022 23.5311 -27.6052 36.3328 -27.6052 -8.38752 GPRESSAVG: 703000 -9.56237 4.63072 37.1248 6.73678 24.1577 -27.9832 36.4691 -26.9794 -9.02488 TIMING: 703000 CPU: 2221.51, 0.00317275/step Wall: 2221.51, 0.00317275/step, 3.78702 hours remaining, 233.253906 MB of memory in use. ENERGY: 703000 3964.2234 20759.4657 14355.7297 239.8842 -202520.9158 2299.6929 0.0000 0.0000 52287.2898 -108614.6301 300.4958 -160901.9199 -108257.9898 300.1212 -163.3775 -138.1069 764243.7429 1.5840 1.8568 PRESSURE: 703200 -219.049 33.479 284.381 33.4779 -241.535 -18.6197 284.382 -18.6188 4.27057 GPRESSURE: 703200 -145.112 120.464 321.44 2.12938 -191.264 -44.295 395.568 -87.4783 -13.6334 PRESSAVG: 703200 23.8813 8.68585 43.0317 8.68593 8.4031 38.9361 43.0317 38.936 -10.1673 GPRESSAVG: 703200 23.9289 10.6922 41.4324 9.29343 7.32754 39.5174 44.6891 37.286 -9.44229 TIMING: 703200 CPU: 2222.14, 0.0031538/step Wall: 2222.14, 0.0031538/step, 3.76424 hours remaining, 233.253906 MB of memory in use. ENERGY: 703200 4071.3643 20608.6421 14454.3172 253.8885 -202843.7741 2537.3702 0.0000 0.0000 52142.7807 -108775.4110 299.6653 -160918.1917 -108415.9329 300.8519 -152.1045 -116.6696 762112.8771 7.3724 7.2714 PRESSURE: 703400 -140.416 96.808 -161.992 96.808 168.195 -185.955 -161.993 -185.955 -367.427 GPRESSURE: 703400 -112.352 75.388 -108.183 43.8036 149.994 -189.203 -182.366 -97.9176 -291.862 PRESSAVG: 703400 -37.4468 31.0618 34.098 31.0618 45.5989 -31.729 34.098 -31.729 8.20185 GPRESSAVG: 703400 -37.8017 31.5021 35.1304 29.2501 46.6297 -31.75 32.0587 -30.7293 7.61013 TIMING: 703400 CPU: 2222.76, 0.00313578/step Wall: 2222.76, 0.00313578/step, 3.74256 hours remaining, 233.253906 MB of memory in use. ENERGY: 703400 4021.6582 20665.2780 14488.8859 239.9530 -203044.0473 2639.0707 0.0000 0.0000 52371.7772 -108617.4244 300.9813 -160989.2016 -108260.4731 300.6537 -113.2157 -84.7398 762212.4744 5.4513 5.4794 PRESSURE: 703600 315.236 -78.2746 16.718 -78.2749 -84.6175 -257.636 16.7176 -257.635 257.053 GPRESSURE: 703600 330.682 -37.8178 49.7256 -30.7138 -59.7805 -231.086 -34.2842 -280.193 295.153 PRESSAVG: 703600 -84.9204 44.3933 2.39398 44.3933 77.3116 -49.4663 2.39403 -49.4662 5.78567 GPRESSAVG: 703600 -84.8243 42.5598 1.05975 47.3121 76.284 -48.5638 3.79543 -48.3395 6.97042 TIMING: 703600 CPU: 2223.39, 0.0031532/step Wall: 2223.39, 0.0031532/step, 3.76316 hours remaining, 233.253906 MB of memory in use. ENERGY: 703600 3952.4845 20622.1350 14473.8836 259.7361 -202922.9263 2645.0967 0.0000 0.0000 52359.3154 -108610.2752 300.9097 -160969.5905 -108249.2168 300.7546 162.5572 188.6850 763370.1743 -0.6077 -0.5233 PRESSURE: 703800 150.836 217.74 25.5066 217.74 -151.582 236.612 25.5065 236.611 155.939 GPRESSURE: 703800 109.756 103.111 6.20679 139.796 -128.064 362.618 60.0723 135.273 262.666 PRESSAVG: 703800 -28.6066 -11.2456 -11.4398 -11.2456 44.7273 -31.1518 -11.4397 -31.1518 0.998818 GPRESSAVG: 703800 -28.8721 -12.3289 -11.1989 -13.3002 45.4493 -31.87 -12.4089 -33.3851 -0.0103166 TIMING: 703800 CPU: 2224.02, 0.00313819/step Wall: 2224.02, 0.00313819/step, 3.74508 hours remaining, 233.253906 MB of memory in use. ENERGY: 703800 3889.0149 20743.5857 14507.7330 247.9725 -203155.3404 2689.8215 0.0000 0.0000 52340.5263 -108736.6865 300.8017 -161077.2128 -108381.0835 300.3999 51.7309 81.4528 763574.7519 5.7065 5.5223 PRESSURE: 704000 -292.858 81.1872 294.168 81.1878 105.663 -81.7517 294.168 -81.7516 -238.869 GPRESSURE: 704000 -170.306 100.937 159.149 39.6552 28.6453 -72.1569 241.246 -166.635 -198.869 PRESSAVG: 704000 -46.991 34.6718 9.3608 34.6717 41.7093 -13.7467 9.36076 -13.7467 -15.3674 GPRESSAVG: 704000 -47.3847 34.0184 9.74509 36.7334 41.7471 -13.7522 10.8487 -12.6951 -14.75 TIMING: 704000 CPU: 2224.65, 0.00314232/step Wall: 2224.65, 0.00314232/step, 3.74984 hours remaining, 233.253906 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: 704000 3912.3256 20581.8375 14395.9535 230.2877 -202690.6017 2478.0442 0.0000 0.0000 52302.7873 -108789.3658 300.5848 -161092.1531 -108417.5720 300.3960 -142.0212 -113.5097 764663.1319 -6.8830 -6.7959 PRESSURE: 704200 192.594 5.35201 69.4934 5.35194 -184.766 -153.798 69.4933 -153.796 35.3797 GPRESSURE: 704200 238.35 74.5083 0.767048 107.359 -213.398 -39.0368 131.867 -135.182 94.1106 PRESSAVG: 704200 -18.1537 36.7641 50.7636 36.7641 35.4826 32.0016 50.7636 32.0016 -14.2057 GPRESSAVG: 704200 -18.0287 39.2037 49.6278 34.5807 35.5945 30.993 50.1897 33.7774 -14.5598 TIMING: 704200 CPU: 2225.28, 0.00315236/step Wall: 2225.28, 0.00315236/step, 3.76164 hours remaining, 233.253906 MB of memory in use. ENERGY: 704200 3914.0547 20515.2426 14452.9057 254.6837 -203125.1742 2806.1951 0.0000 0.0000 52380.4241 -108801.6684 301.0310 -161182.0925 -108435.1953 300.2422 14.4026 39.6874 762770.2116 1.0411 1.0020 LDB: ============= START OF LOAD BALANCING ============== 2237.82 LDB: ============== END OF LOAD BALANCING =============== 2237.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2237.82 LDB: ============= START OF LOAD BALANCING ============== 2238.13 LDB: Largest compute 7058 load 0.031980 is 16.4% of average load 0.195161 LDB: Average compute 0.004400 is 2.3% of average load 0.195161 LDB: TIME 2238.14 LOAD: AVG 0.195161 MAX 0.213136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.891 MB LDB: TIME 2238.14 LOAD: AVG 0.195161 MAX 0.213136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.895 MB LDB: TIME 2238.14 LOAD: AVG 0.195161 MAX 0.213136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.895 MB LDB: ============== END OF LOAD BALANCING =============== 2238.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2238.14 PRESSURE: 704400 63.8996 350.199 -119.679 350.198 -302.863 -128.942 -119.68 -128.942 68.208 GPRESSURE: 704400 89.423 133.957 -129.729 295.564 -261.621 -125.963 -168.201 -124.658 77.7454 PRESSAVG: 704400 20.7113 43.2287 50.9404 43.2287 2.61658 -41.1157 50.9405 -41.1156 8.32861 GPRESSAVG: 704400 20.3193 43.872 50.0686 45.2317 2.92265 -40.2474 48.9307 -41.6367 8.55942 TIMING: 704400 CPU: 2225.93, 0.00322741/step Wall: 2225.93, 0.00322741/step, 3.85102 hours remaining, 232.355469 MB of memory in use. ENERGY: 704400 3933.4030 20546.6044 14402.2438 241.2177 -202560.2861 2390.5443 0.0000 0.0000 52256.6285 -108789.6444 300.3196 -161046.2728 -108422.7700 300.3209 -56.9185 -31.4844 762836.1728 10.5521 10.6004 PRESSURE: 704600 235.931 -2.53805 207.049 -2.53835 465.831 -32.6481 207.048 -32.6478 294.02 GPRESSURE: 704600 330.006 10.5112 117.829 9.10924 363.953 -35.944 256.429 -31.2674 384.407 PRESSAVG: 704600 16.3374 -1.57851 -47.3009 -1.57852 -0.676478 -13.4056 -47.3009 -13.4056 -1.59254 GPRESSAVG: 704600 18.4583 -3.22833 -46.5949 -3.13318 -1.10385 -13.8707 -46.5126 -13.9363 -2.93826 TIMING: 704600 CPU: 2226.56, 0.00315803/step Wall: 2226.56, 0.00315803/step, 3.76805 hours remaining, 232.355469 MB of memory in use. ENERGY: 704600 3949.5647 20578.5190 14514.5196 235.9036 -202981.4364 2713.8420 0.0000 0.0000 52035.3101 -108953.7775 299.0476 -160989.0875 -108591.0264 299.8419 331.9274 359.4549 763235.3862 4.6895 4.8054 PRESSURE: 704800 27.446 8.97195 -84.6166 8.9721 93.8331 120.125 -84.6171 120.125 86.1689 GPRESSURE: 704800 99.6586 -40.5924 -94.5764 -66.5767 136.668 84.363 41.481 -51.4569 74.3041 PRESSAVG: 704800 32.0274 4.4676 10.5579 4.46758 -14.0652 -34.486 10.5579 -34.486 -4.69567 GPRESSAVG: 704800 31.4224 6.49474 9.6304 6.61541 -13.9469 -34.2332 10.8055 -35.1558 -3.50332 TIMING: 704800 CPU: 2227.19, 0.0031635/step Wall: 2227.19, 0.0031635/step, 3.77441 hours remaining, 232.355469 MB of memory in use. ENERGY: 704800 3998.2231 20522.0591 14367.1233 264.3080 -203334.3906 2786.3710 0.0000 0.0000 52293.7781 -109102.5281 300.5331 -161396.3062 -108717.3430 299.5112 69.1494 103.5436 763362.9393 4.4222 4.6574 PRESSURE: 705000 83.0593 -240.532 -68.649 -240.532 -145.778 -224.329 -68.6495 -224.329 161.688 GPRESSURE: 705000 143.605 -122.005 -87.5808 -238.754 -119.731 -160.028 -78.1669 -226.944 178.372 PRESSAVG: 705000 15.7654 -26.2864 -21.866 -26.2864 21.5165 3.72287 -21.8661 3.72293 24.5333 GPRESSAVG: 705000 16.7523 -26.155 -19.9709 -28.2919 20.9025 4.86828 -21.2419 2.79282 24.2529 TIMING: 705000 CPU: 2227.82, 0.00314897/step Wall: 2227.82, 0.00314897/step, 3.7569 hours remaining, 232.355469 MB of memory in use. ENERGY: 705000 4003.7093 20616.7834 14425.5018 278.8590 -202928.4601 2522.4402 0.0000 0.0000 51935.1623 -109146.0041 298.4721 -161081.1664 -108790.5048 299.4894 32.9898 67.4156 762083.0526 20.6051 20.6359 PRESSURE: 705200 287.225 -5.27028 -176.424 -5.26945 -502.439 94.9073 -176.425 94.9058 232.619 GPRESSURE: 705200 255.936 110.838 -126.001 -84.2794 -244.521 177.936 -153.139 74.0153 77.0988 PRESSAVG: 705200 25.9049 -12.1174 1.60605 -12.1174 22.2047 -97.7564 1.606 -97.7563 -11.2777 GPRESSAVG: 705200 24.6465 -12.8406 1.31867 -11.998 24.2079 -98.7838 1.88355 -97.0483 -12.4368 TIMING: 705200 CPU: 2228.45, 0.00314695/step Wall: 2228.45, 0.00314695/step, 3.75431 hours remaining, 232.355469 MB of memory in use. ENERGY: 705200 3982.1027 20638.3938 14457.0514 230.3112 -203481.1570 3048.9027 0.0000 0.0000 52277.4224 -108846.9727 300.4391 -161124.3951 -108481.9931 300.0994 5.8015 29.5046 762651.4987 12.2773 12.1392 PRESSURE: 705400 -5.2187 126.59 116.869 126.59 -35.9493 261.253 116.869 261.253 -336.233 GPRESSURE: 705400 33.4855 114.859 197.462 96.9747 -48.9328 214.532 146.048 142.521 -309.397 PRESSAVG: 705400 -3.81363 6.1769 6.89418 6.17684 -34.2047 30.6839 6.8942 30.6838 -7.00797 GPRESSAVG: 705400 -4.15953 4.65213 8.37261 6.95293 -33.9591 31.085 5.4762 31.2932 -6.57071 TIMING: 705400 CPU: 2229.08, 0.00314097/step Wall: 2229.08, 0.00314097/step, 3.747 hours remaining, 232.355469 MB of memory in use. ENERGY: 705400 4044.8100 20703.0478 14511.1096 250.7590 -203083.1321 2718.6520 0.0000 0.0000 52124.8584 -108729.8953 299.5623 -160854.7536 -108383.5825 300.1474 -125.8002 -108.2813 762992.4693 -15.0088 -14.8964 PRESSURE: 705600 -159.718 20.7582 -100.223 20.7589 -337.506 6.81941 -100.223 6.81957 -80.6745 GPRESSURE: 705600 -91.4576 -40.9252 21.3968 -88.5144 -260.014 -33.0395 -133.927 119.849 -145.6 PRESSAVG: 705600 12.493 4.79754 4.41921 4.79757 71.6708 31.0876 4.41918 31.0877 -0.0413785 GPRESSAVG: 705600 12.9552 5.82734 4.40698 5.05297 71.0873 30.2277 4.47522 31.4785 0.207951 TIMING: 705600 CPU: 2229.71, 0.00315826/step Wall: 2229.71, 0.00315826/step, 3.76745 hours remaining, 232.355469 MB of memory in use. ENERGY: 705600 3986.8002 20721.8064 14446.5034 258.8723 -202649.5402 2220.1915 0.0000 0.0000 52209.6830 -108805.6833 300.0498 -161015.3663 -108447.6124 300.4710 -192.6327 -165.6904 762818.6202 28.0408 28.0835 PRESSURE: 705800 151.814 217.632 26.1925 217.631 480.938 -149.42 26.1926 -149.42 -254.245 GPRESSURE: 705800 132.379 131.06 53.5631 154.413 547.594 -47.1363 -2.25447 -180.498 -230.771 PRESSAVG: 705800 -31.1204 -38.8933 -1.95798 -38.8933 34.3174 1.91842 -1.95795 1.91847 -4.20483 GPRESSAVG: 705800 -30.6527 -40.7702 -3.68101 -40.8886 33.9935 0.337539 -1.75457 1.67566 -4.44595 TIMING: 705800 CPU: 2230.34, 0.00316674/step Wall: 2230.34, 0.00316674/step, 3.77739 hours remaining, 232.355469 MB of memory in use. ENERGY: 705800 3988.9153 20701.9559 14502.3453 249.5011 -203355.7725 3007.2990 0.0000 0.0000 51959.8091 -108945.9469 298.6137 -160905.7560 -108585.2578 300.3278 126.1688 149.7338 761036.9440 -0.3359 -0.3684 PRESSURE: 706000 250.522 308.792 -19.5484 308.793 88.56 198.633 -19.5485 198.634 277.096 GPRESSURE: 706000 296.331 252.204 -91.4346 321.716 97.8085 218.939 59.1354 243.142 316.597 PRESSAVG: 706000 -32.0115 8.00989 31.1359 8.00987 15.4238 -33.7544 31.1359 -33.7544 1.85395 GPRESSAVG: 706000 -32.6388 10.3783 32.8075 9.14286 16.1533 -33.0964 30.4115 -34.7743 1.49962 TIMING: 706000 CPU: 2230.98, 0.00317373/step Wall: 2230.98, 0.00317373/step, 3.78555 hours remaining, 232.355469 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: 706000 3933.7672 20597.3963 14523.1860 257.5925 -203051.8847 2683.0102 0.0000 0.0000 52115.2547 -108941.6778 299.5071 -161056.9325 -108582.0698 299.8012 205.3928 236.9123 762794.7416 -4.9113 -4.9953 PRESSURE: 706200 -114.51 13.5287 -199.612 13.5285 36.3596 -131.364 -199.611 -131.364 32.7439 GPRESSURE: 706200 -47.9223 105.079 -211.024 119.164 50.5761 -148.115 -194.784 -192.637 52.1041 PRESSAVG: 706200 -37.7013 -7.70291 35.8928 -7.70294 59.5233 -8.59962 35.8927 -8.59962 -1.13028 GPRESSAVG: 706200 -37.2044 -8.39956 34.9028 -8.44601 58.2768 -6.75452 35.5765 -7.95563 0.0605148 TIMING: 706200 CPU: 2231.61, 0.00317647/step Wall: 2231.61, 0.00317647/step, 3.78864 hours remaining, 232.355469 MB of memory in use. ENERGY: 706200 4030.7721 20507.6346 14490.0695 243.3144 -203179.9441 2784.3841 0.0000 0.0000 52084.7806 -109038.9887 299.3320 -161123.7693 -108676.5976 299.7899 -15.1355 18.2527 762684.8349 6.8973 7.0443 PRESSURE: 706400 187.569 59.0667 -136.259 59.0661 12.7214 -46.7511 -136.259 -46.7518 -260.814 GPRESSURE: 706400 252.036 154.173 29.1473 58.2477 31.9917 -66.6356 -156.318 -82.4591 -262.904 PRESSAVG: 706400 29.3785 -7.2451 69.8909 -7.24514 -32.7301 57.2619 69.8909 57.2618 4.35738 GPRESSAVG: 706400 28.8777 -8.68416 71.3096 -5.91934 -31.5072 57.033 69.7736 55.8395 4.00029 TIMING: 706400 CPU: 2232.25, 0.00316555/step Wall: 2232.25, 0.00316555/step, 3.77544 hours remaining, 232.355469 MB of memory in use. ENERGY: 706400 3996.4986 20503.8056 14576.2560 245.7569 -202641.1109 2302.5436 0.0000 0.0000 52302.4068 -108713.8434 300.5827 -161016.2502 -108347.4256 300.3352 -20.1745 7.0412 763584.9506 0.3353 0.4569 PRESSURE: 706600 4.61315 99.2036 -163.604 99.2021 -182.316 104.887 -163.605 104.886 -202.337 GPRESSURE: 706600 -73.5697 49.2107 -191.343 39.835 -102.608 118.38 -69.1581 120.484 -144.887 PRESSAVG: 706600 23.6701 -55.396 11.8542 -55.3959 -27.1645 -17.672 11.8541 -17.6719 17.834 GPRESSAVG: 706600 24.005 -54.8344 10.9709 -55.3579 -27.9157 -16.5809 11.2709 -16.9112 18.0085 TIMING: 706600 CPU: 2232.88, 0.00315773/step Wall: 2232.88, 0.00315773/step, 3.76595 hours remaining, 232.355469 MB of memory in use. ENERGY: 706600 3993.1345 20557.6251 14554.3474 244.7103 -202739.3911 2509.7791 0.0000 0.0000 52289.6778 -108590.1169 300.5095 -160879.7947 -108228.7718 300.7714 -126.6799 -107.0215 764090.7166 4.7798 4.6992 PRESSURE: 706800 442.155 -147.21 31.2953 -147.209 145.077 19.1071 31.2949 19.1075 -185.701 GPRESSURE: 706800 476.755 30.1428 76.562 -132.871 195.687 101.596 40.5998 5.83164 -159.061 PRESSAVG: 706800 -3.08722 -12.5941 -12.1016 -12.5941 9.77743 -15.9428 -12.1016 -15.9428 11.0245 GPRESSAVG: 706800 -4.29361 -11.3811 -13.1426 -14.7332 10.1166 -17.1412 -10.0465 -14.2452 11.5221 TIMING: 706800 CPU: 2233.51, 0.00315886/step Wall: 2233.51, 0.00315887/step, 3.76712 hours remaining, 232.355469 MB of memory in use. ENERGY: 706800 4008.8499 20466.3221 14550.8331 244.8324 -202703.3529 2577.0590 0.0000 0.0000 52303.3348 -108552.1217 300.5880 -160855.4565 -108193.4325 300.4263 133.8437 171.1270 762813.1495 5.9049 5.7817 PRESSURE: 707000 -89.715 95.2989 8.35809 95.2994 -139.525 -72.4102 8.35806 -72.41 87.7388 GPRESSURE: 707000 -82.4525 72.517 -40.2342 145.623 -50.3954 -96.9011 7.80137 54.9425 82.1414 PRESSAVG: 707000 20.3745 37.3509 -3.45236 37.3509 -30.9027 42.0608 -3.45238 42.0609 -18.3464 GPRESSAVG: 707000 21.2533 37.1076 -2.51753 37.3285 -30.5987 40.9388 -5.2619 38.8956 -19.0737 TIMING: 707000 CPU: 2234.15, 0.00318345/step Wall: 2234.15, 0.00318345/step, 3.79626 hours remaining, 232.355469 MB of memory in use. ENERGY: 707000 3984.2053 20562.3998 14548.0284 256.6261 -202707.0471 2565.8485 0.0000 0.0000 52202.3784 -108587.5607 300.0078 -160789.9391 -108209.1519 300.3834 -47.1671 -16.9022 763364.0366 -9.6249 -9.4730 PRESSURE: 707200 50.9137 18.9506 -36.5248 18.9506 -157.784 11.0141 -36.5246 11.0143 13.6666 GPRESSURE: 707200 88.562 -47.6287 17.8433 -13.3893 -137.374 60.3438 -173.539 79.3421 12.4146 PRESSAVG: 707200 16.7511 27.4332 -2.40937 27.4331 -1.10471 -7.88655 -2.40932 -7.88653 9.3386 GPRESSAVG: 707200 16.4458 28.4239 -3.03202 28.6781 0.273512 -7.77842 -0.485733 -5.87381 7.76802 TIMING: 707200 CPU: 2234.78, 0.00318848/step Wall: 2234.78, 0.00318848/step, 3.80209 hours remaining, 232.355469 MB of memory in use. ENERGY: 707200 4003.3567 20472.2352 14565.7913 284.0655 -202978.3760 2654.9984 0.0000 0.0000 52264.9101 -108733.0189 300.3672 -160997.9290 -108375.9555 300.3790 -31.0678 -12.1325 764307.9509 8.3283 8.1624 PRESSURE: 707400 -344.073 -23.777 -214.953 -23.7771 -418.971 -74.3968 -214.953 -74.3968 -189.145 GPRESSURE: 707400 -420.597 -16.292 -223.835 30.312 -348.126 -88.1608 -220.75 -25.7173 -107.914 PRESSAVG: 707400 16.8047 12.6428 -24.6907 12.6428 15.0455 -18.4788 -24.6907 -18.4788 -3.74121 GPRESSAVG: 707400 16.474 13.2675 -24.5878 11.9689 13.9222 -18.3318 -24.9065 -18.9868 -2.09093 TIMING: 707400 CPU: 2235.42, 0.00317144/step Wall: 2235.42, 0.00317144/step, 3.78159 hours remaining, 232.355469 MB of memory in use. ENERGY: 707400 4012.2063 20511.3105 14595.3986 233.6615 -203022.2963 2717.4424 0.0000 0.0000 52195.9508 -108756.3261 299.9708 -160952.2770 -108390.4683 300.4367 -317.3963 -292.2126 762554.2430 9.3697 9.4351 PRESSURE: 707600 -410.579 -65.6741 62.2969 -65.6735 -373.164 147.037 62.2974 147.039 -390.58 GPRESSURE: 707600 -326.304 -119.531 75.5206 -18.1979 -388.218 100.56 78.2752 164.998 -358.121 PRESSAVG: 707600 -7.23096 -30.7016 -110.729 -30.7017 4.61717 3.05409 -110.729 3.05415 -3.82029 GPRESSAVG: 707600 -5.44377 -31.3334 -111.084 -27.5976 4.10733 2.7107 -109.435 3.89841 -4.81143 TIMING: 707600 CPU: 2236.05, 0.00315659/step Wall: 2236.05, 0.00315659/step, 3.76371 hours remaining, 232.355469 MB of memory in use. ENERGY: 707600 4045.5517 20605.4426 14518.8372 239.7967 -202593.7600 2513.5190 0.0000 0.0000 52081.7865 -108588.8264 299.3147 -160670.6129 -108222.6398 300.5390 -391.4410 -357.5478 765786.5268 -2.1447 -2.0493 PRESSURE: 707800 292.687 76.5908 -29.5365 76.5913 -172.163 -84.6923 -29.5365 -84.6925 -80.0665 GPRESSURE: 707800 315.202 -37.4455 -12.0315 61.4559 -49.0011 -54.58 25.0513 -184.149 -116.186 PRESSAVG: 707800 54.932 -11.4498 -5.69898 -11.4498 -24.6753 -31.4935 -5.69898 -31.4935 6.03562 GPRESSAVG: 707800 54.2241 -13.7183 -6.14947 -12.5568 -24.4317 -30.5216 -5.412 -33.8109 6.40358 TIMING: 707800 CPU: 2236.68, 0.00314072/step Wall: 2236.68, 0.00314072/step, 3.7446 hours remaining, 232.355469 MB of memory in use. ENERGY: 707800 4081.2412 20676.5786 14519.6456 264.6722 -203028.1096 2781.3936 0.0000 0.0000 52192.2430 -108512.3354 299.9495 -160704.5784 -108152.7527 300.5839 13.4859 50.0049 762555.2711 12.0974 12.0653 PRESSURE: 708000 27.8719 -22.1743 -135.153 -22.1741 139.621 -53.691 -135.153 -53.6917 -134.753 GPRESSURE: 708000 126.805 -47.0372 -207.444 67.5871 117.123 14.1042 -70.4191 -129.947 -97.6081 PRESSAVG: 708000 58.4777 38.3674 14.482 38.3675 -58.1083 -5.75278 14.482 -5.75274 1.4084 GPRESSAVG: 708000 57.2814 39.4025 14.3972 37.2523 -58.1601 -6.98928 13.6244 -4.44351 2.12929 TIMING: 708000 CPU: 2237.31, 0.00316351/step Wall: 2237.31, 0.00316351/step, 3.77161 hours remaining, 232.355469 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: 708000 3998.4926 20557.2037 14453.5434 267.3299 -203307.1577 2894.9660 0.0000 0.0000 52567.6651 -108567.9570 302.1071 -161135.6221 -108203.0284 300.4590 10.9135 48.7732 760881.6196 0.5926 0.4169 PRESSURE: 708200 -247.991 105.905 194.633 105.905 -220.338 -40.4231 194.633 -40.4227 -231.014 GPRESSURE: 708200 -231.786 68.6538 209.746 66.5124 -145.017 -31.0299 247.988 4.82205 -223.22 PRESSAVG: 708200 20.9532 -42.9312 31.8823 -42.9311 -64.6856 31.0902 31.8824 31.0902 19.1957 GPRESSAVG: 708200 21.554 -45.0454 32.4061 -40.3094 -65.9452 32.3442 32.4703 30.7582 19.8746 TIMING: 708200 CPU: 2237.94, 0.00315372/step Wall: 2237.94, 0.00315372/step, 3.75976 hours remaining, 232.355469 MB of memory in use. ENERGY: 708200 3947.1454 20562.4872 14553.9427 253.5821 -202766.9431 2370.5273 0.0000 0.0000 52474.4203 -108604.8380 301.5712 -161079.2583 -108233.9374 300.7496 -233.1145 -200.0075 762306.8879 -8.1789 -8.1722 LDB: ============= START OF LOAD BALANCING ============== 2250.48 LDB: ============== END OF LOAD BALANCING =============== 2250.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2250.48 LDB: ============= START OF LOAD BALANCING ============== 2250.8 LDB: Largest compute 7058 load 0.032157 is 16.5% of average load 0.195224 LDB: Average compute 0.004393 is 2.3% of average load 0.195224 LDB: TIME 2250.8 LOAD: AVG 0.195224 MAX 0.211384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 2250.8 LOAD: AVG 0.195224 MAX 0.211384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: TIME 2250.8 LOAD: AVG 0.195224 MAX 0.211384 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: ============== END OF LOAD BALANCING =============== 2250.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2250.81 PRESSURE: 708400 315.77 127.16 21.2525 127.159 374.723 66.315 21.2535 66.317 -6.15109 GPRESSURE: 708400 343.354 154.067 -20.6107 32.8261 312.624 36.0628 -63.7352 -24.1384 90.7619 PRESSAVG: 708400 38.9915 9.30153 62.2088 9.30153 1.39645 -39.1275 62.2088 -39.1275 -8.92332 GPRESSAVG: 708400 38.3175 11.1101 61.9132 6.23353 2.14479 -41.0536 61.0552 -38.9935 -9.86042 TIMING: 708400 CPU: 2238.59, 0.00324293/step Wall: 2238.59, 0.00324293/step, 3.86593 hours remaining, 233.636719 MB of memory in use. ENERGY: 708400 4045.6022 20647.7339 14551.6831 239.3796 -202832.9511 2573.5005 0.0000 0.0000 52147.0739 -108627.9779 299.6900 -160775.0518 -108264.0263 301.2450 228.1139 248.9132 762374.1411 10.4882 10.2006 PRESSURE: 708600 -492.856 97.545 -44.4067 97.5451 57.5718 -51.4672 -44.4063 -51.4671 -96.5044 GPRESSURE: 708600 -414.268 -32.7168 -4.4153 31.2356 99.987 77.0184 63.7013 -33.3084 -130.766 PRESSAVG: 708600 28.9048 19.537 3.25346 19.5371 -16.7211 -26.2449 3.25346 -26.2449 -3.61255 GPRESSAVG: 708600 29.6033 17.0672 6.06281 20.8989 -16.8514 -25.5891 2.88088 -25.1643 -4.8206 TIMING: 708600 CPU: 2239.23, 0.00318709/step Wall: 2239.23, 0.00318709/step, 3.79919 hours remaining, 233.839844 MB of memory in use. ENERGY: 708600 4031.1313 20558.2920 14516.1787 258.0645 -203068.3105 2762.2159 0.0000 0.0000 52201.5286 -108740.8995 300.0029 -160942.4282 -108385.0015 300.3742 -177.2628 -148.3491 764340.4461 2.8571 2.6438 PRESSURE: 708800 -135.124 -73.8986 -48.9782 -73.8984 -188.538 -74.7495 -48.9781 -74.7486 211.606 GPRESSURE: 708800 -136.251 -96.452 -112.249 77.6996 -75.3032 -30.0558 -79.2416 -37.8036 194.817 PRESSAVG: 708800 -13.2164 7.00656 -50.7467 7.00654 31.6547 15.0542 -50.7466 15.0542 -22.7189 GPRESSAVG: 708800 -14.8392 8.43968 -52.077 6.77855 32.9479 16.5608 -50.7328 13.0195 -22.3517 TIMING: 708800 CPU: 2239.86, 0.00318153/step Wall: 2239.86, 0.00318153/step, 3.79238 hours remaining, 233.839844 MB of memory in use. ENERGY: 708800 4043.4571 20478.2952 14478.2234 255.1405 -202670.3225 2445.2340 0.0000 0.0000 52302.6278 -108667.3446 300.5839 -160969.9724 -108308.4144 300.3085 -37.3518 -5.5791 763785.0669 -1.4269 -1.4143 PRESSURE: 709000 -112.411 -134.5 -114.092 -134.498 -7.62192 104.751 -114.093 104.75 -115.433 GPRESSURE: 709000 -73.1721 -81.4082 -40.5377 -121.299 62.2871 237.075 -87.3868 -69.5695 -140.99 PRESSAVG: 709000 9.51715 14.7171 17.4186 14.7171 -51.225 -4.49296 17.4186 -4.49294 -7.14901 GPRESSAVG: 709000 11.2769 14.45 16.755 15.4565 -52.7127 -5.01617 19.1675 -5.36123 -7.45012 TIMING: 709000 CPU: 2240.5, 0.00317968/step Wall: 2240.5, 0.00317968/step, 3.79001 hours remaining, 233.839844 MB of memory in use. ENERGY: 709000 3927.2806 20602.2377 14512.9318 239.9922 -202853.3996 2659.0029 0.0000 0.0000 52329.9258 -108582.0285 300.7408 -160911.9543 -108209.3518 300.4372 -78.4886 -50.6250 764003.2230 -16.2856 -16.2953 PRESSURE: 709200 130.387 -248.023 82.3432 -248.023 -135.304 -161.93 82.3434 -161.929 22.6002 GPRESSURE: 709200 128.368 -125.412 -8.32493 -252.702 -97.0627 -158.921 43.7123 45.6551 78.9261 PRESSAVG: 709200 -3.81912 -1.40743 13.3466 -1.40737 21.7864 -39.6819 13.3466 -39.6819 -2.51652 GPRESSAVG: 709200 -5.73053 -0.754518 14.3413 -3.34783 22.4438 -41.1598 10.8354 -37.397 -1.47408 TIMING: 709200 CPU: 2241.13, 0.00317449/step Wall: 2241.13, 0.00317449/step, 3.78364 hours remaining, 233.839844 MB of memory in use. ENERGY: 709200 3958.1087 20575.5317 14523.6447 249.7740 -203118.0934 2840.9347 0.0000 0.0000 52307.3851 -108662.7146 300.6113 -160970.0996 -108290.0965 300.8113 5.8943 36.7439 763815.9320 5.1502 5.0797 PRESSURE: 709400 36.2145 105.629 -180.044 105.629 55.1235 138.919 -180.044 138.92 5.8001 GPRESSURE: 709400 -9.83905 55.5137 -220.699 13.0234 139.824 154.834 -132.718 48.5092 55.8296 PRESSAVG: 709400 -6.97415 -6.50381 49.3873 -6.50381 -33.4766 -17.1864 49.3873 -17.1864 -21.9483 GPRESSAVG: 709400 -5.25256 -7.46149 48.1457 -5.28891 -34.5954 -16.3384 52.944 -18.809 -22.213 TIMING: 709400 CPU: 2241.77, 0.00315837/step Wall: 2241.77, 0.00315836/step, 3.76424 hours remaining, 233.839844 MB of memory in use. ENERGY: 709400 4054.1726 20577.6894 14499.0099 250.0455 -203040.1967 2727.6442 0.0000 0.0000 52269.4800 -108662.1551 300.3934 -160931.6351 -108298.9364 300.8801 32.3794 61.9381 764024.4215 -20.7997 -20.6870 PRESSURE: 709600 236.565 -64.3741 93.2267 -64.3751 388.143 -32.3946 93.2272 -32.3934 -308.935 GPRESSURE: 709600 217.623 22.5043 52.7983 -5.75982 415.166 -102.083 26.5232 125.786 -242.093 PRESSAVG: 709600 -23.4936 8.35691 78.486 8.3569 12.7346 -17.5993 78.486 -17.5992 31.1822 GPRESSAVG: 709600 -24.9449 9.45666 81.4295 8.92125 14.3841 -18.1865 75.657 -15.7851 31.1153 TIMING: 709600 CPU: 2242.4, 0.00317466/step Wall: 2242.4, 0.00317466/step, 3.78349 hours remaining, 233.839844 MB of memory in use. ENERGY: 709600 3983.5791 20641.9577 14517.4402 258.5119 -203460.6408 2967.8719 0.0000 0.0000 52294.3061 -108796.9740 300.5361 -161091.2801 -108435.9857 299.8251 105.2579 130.2318 763548.8820 6.8077 6.8515 PRESSURE: 709800 151.089 8.37753 -27.3218 8.37801 153.586 -50.9675 -27.3212 -50.9671 186.854 GPRESSURE: 709800 164.365 -39.1105 -163.669 33.7329 157.601 -60.9567 -115.728 -160.394 247.357 PRESSAVG: 709800 25.2214 -5.5632 30.5178 -5.56316 -11.4558 -52.4619 30.5178 -52.4619 -9.12758 GPRESSAVG: 709800 26.3116 -5.85882 26.9095 -5.16862 -13.5118 -51.943 30.9124 -53.4792 -8.09987 TIMING: 709800 CPU: 2243.03, 0.00314394/step Wall: 2243.03, 0.00314394/step, 3.74671 hours remaining, 233.839844 MB of memory in use. ENERGY: 709800 4071.0946 20419.9618 14455.4869 247.7313 -203287.2012 2996.1626 0.0000 0.0000 52172.4575 -108924.3066 299.8358 -161096.7641 -108561.7431 299.5499 163.8430 189.7746 763660.9875 1.5460 1.5666 PRESSURE: 710000 -219.657 11.3133 235.628 11.3127 180.323 -41.0433 235.629 -41.0431 -27.0617 GPRESSURE: 710000 -94.2504 5.60393 193.915 90.9797 151.534 -12.4961 175.929 -46.8783 -32.7168 PRESSAVG: 710000 33.6511 -18.3832 42.7187 -18.3832 -14.9208 -55.3975 42.7187 -55.3975 -6.12166 GPRESSAVG: 710000 33.7309 -18.2336 42.2752 -18.183 -14.0441 -56.6585 43.369 -56.8059 -6.89989 TIMING: 710000 CPU: 2243.66, 0.00316704/step Wall: 2243.66, 0.00316704/step, 3.77406 hours remaining, 233.839844 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: 710000 4065.6356 20491.2461 14533.0747 241.1497 -203208.9524 2774.4213 0.0000 0.0000 52492.8255 -108610.5994 301.6770 -161103.4249 -108241.0556 299.9648 -22.1317 8.1889 762352.1223 4.2029 4.2623 PRESSURE: 710200 -96.395 72.4216 147.62 72.4214 -360.852 -145.525 147.62 -145.525 32.4784 GPRESSURE: 710200 -92.7389 58.6147 221.495 41.3043 -303.839 -218.278 6.62577 -248.395 44.19 PRESSAVG: 710200 18.3451 26.4517 11.2928 26.4516 -22.2547 -18.5667 11.2928 -18.5668 -9.4535 GPRESSAVG: 710200 17.6533 25.5935 12.7797 25.2984 -21.6667 -17.2311 11.4717 -17.6665 -10.027 TIMING: 710200 CPU: 2244.3, 0.00316489/step Wall: 2244.3, 0.00316489/step, 3.77132 hours remaining, 233.839844 MB of memory in use. ENERGY: 710200 4033.2212 20696.0924 14472.4407 244.8076 -202962.2552 2652.7173 0.0000 0.0000 52146.6387 -108716.3373 299.6874 -160862.9760 -108358.2969 300.4762 -141.5897 -117.4625 764310.4396 -4.4544 -4.6801 PRESSURE: 710400 276.125 23.5657 -6.37472 23.5657 -131.374 276.496 -6.37455 276.496 -33.223 GPRESSURE: 710400 273.827 5.42596 4.22518 90.4984 -15.7825 218.299 20.575 212.038 -47.2764 PRESSAVG: 710400 7.94504 17.6996 38.8677 17.6996 23.904 -76.3624 38.8677 -76.3624 22.3068 GPRESSAVG: 710400 7.59554 17.3995 40.7145 18.2552 23.7402 -76.8853 38.2654 -77.7387 22.5426 TIMING: 710400 CPU: 2244.93, 0.00316515/step Wall: 2244.93, 0.00316515/step, 3.77145 hours remaining, 233.839844 MB of memory in use. ENERGY: 710400 4006.0715 20469.9427 14544.7281 233.0552 -203126.4319 2820.5295 0.0000 0.0000 52302.7358 -108749.3692 300.5845 -161052.1050 -108369.0836 300.3214 37.1757 70.2559 765200.9372 18.0519 17.9594 PRESSURE: 710600 65.3107 -123.023 13.838 -123.023 -58.6692 116.08 13.8375 116.079 -324.384 GPRESSURE: 710600 107.095 -52.1831 -95.4384 -145.322 -73.9734 102.497 16.6188 194.969 -254.48 PRESSAVG: 710600 -26.9048 87.1996 46.1846 87.1996 9.68367 -1.76981 46.1846 -1.76969 1.35988 GPRESSAVG: 710600 -25.7284 87.3223 44.8536 85.1089 8.3053 -0.455488 47.7037 -1.17742 1.06604 TIMING: 710600 CPU: 2245.56, 0.0031614/step Wall: 2245.56, 0.0031614/step, 3.76681 hours remaining, 233.839844 MB of memory in use. ENERGY: 710600 4049.9915 20507.2103 14541.4378 237.3563 -202994.9019 2562.7838 0.0000 0.0000 52296.4350 -108799.6872 300.5483 -161096.1222 -108425.3456 300.1477 -105.9143 -73.7862 764367.0065 -5.2871 -5.4523 PRESSURE: 710800 154.131 122.018 -130.579 122.018 -84.693 14.2388 -130.579 14.237 40.092 GPRESSURE: 710800 93.0632 61.3693 -181.055 120.828 29.6012 8.12406 -49.1584 -58.4587 69.5738 PRESSAVG: 710800 -24.84 1.91973 39.0402 1.91977 13.9114 -9.97178 39.0401 -9.97177 6.31732 GPRESSAVG: 710800 -24.8741 2.90096 37.6871 4.6911 12.9527 -10.7347 37.6794 -10.4376 7.63745 TIMING: 710800 CPU: 2246.2, 0.00318709/step Wall: 2246.2, 0.00318709/step, 3.79724 hours remaining, 233.839844 MB of memory in use. ENERGY: 710800 4081.8884 20544.2227 14490.2476 238.9314 -202851.6726 2791.6104 0.0000 0.0000 52005.6691 -108699.1030 298.8773 -160704.7720 -108321.0980 300.5049 36.5100 64.0794 764832.9393 -1.5371 -1.4280 PRESSURE: 711000 46.7999 -48.2618 -135.074 -48.2618 -462.943 23.0635 -135.073 23.063 -164.059 GPRESSURE: 711000 108.843 -26.3974 -71.5427 -54.536 -382.84 11.0306 -134.476 -168.738 -241.538 PRESSAVG: 711000 -30.4286 20.3407 63.8316 20.3407 28.7468 62.2697 63.8316 62.2697 10.4761 GPRESSAVG: 711000 -31.7201 20.668 65.5942 18.2288 29.7422 60.9804 65.11 63.8772 10.7384 TIMING: 711000 CPU: 2246.83, 0.00317429/step Wall: 2246.83, 0.00317429/step, 3.78182 hours remaining, 233.839844 MB of memory in use. ENERGY: 711000 4019.8956 20706.0079 14504.9409 248.1657 -203245.8190 2692.2073 0.0000 0.0000 52268.0373 -108806.5642 300.3851 -161074.6016 -108446.4080 299.9570 -193.4007 -171.8448 763615.5724 2.9314 2.9201 PRESSURE: 711200 110.67 -226.894 167.318 -226.894 -85.8425 227.917 167.317 227.917 -207.935 GPRESSURE: 711200 111.394 -117.754 168.319 -143.946 -23.6213 211.605 164.691 175.825 -183.57 PRESSAVG: 711200 -11.932 35.2268 57.5819 35.2267 -1.58484 14.1881 57.5819 14.1881 -0.52981 GPRESSAVG: 711200 -12.3131 35.9563 57.1258 36.4021 -1.46631 15.475 58.3689 13.89 -0.876797 TIMING: 711200 CPU: 2247.46, 0.00314798/step Wall: 2247.46, 0.00314798/step, 3.75029 hours remaining, 233.839844 MB of memory in use. ENERGY: 711200 4000.0673 20480.4727 14425.1903 254.1865 -203173.0972 2718.7317 0.0000 0.0000 52250.6253 -109043.8235 300.2851 -161294.4488 -108677.0661 299.8073 -61.0358 -31.9323 763436.6993 -4.6822 -4.8854 PRESSURE: 711400 178.218 -102.05 -13.6073 -102.05 -228.802 -106.798 -13.6064 -106.797 -226.732 GPRESSURE: 711400 100.704 -54.8538 -40.1261 -150.348 -123.702 -165.374 24.9415 -62.4355 -175.682 PRESSAVG: 711400 -70.1605 -51.2303 -15.0752 -51.2303 58.346 19.9 -15.0752 19.9 0.0270401 GPRESSAVG: 711400 -69.6461 -54.3781 -15.8861 -51.7021 58.3706 19.9861 -16.1421 18.5064 -0.547872 TIMING: 711400 CPU: 2248.09, 0.0031501/step Wall: 2248.09, 0.0031501/step, 3.75265 hours remaining, 233.839844 MB of memory in use. ENERGY: 711400 3986.4589 20629.2018 14486.7166 246.2522 -203023.5083 2502.0681 0.0000 0.0000 51846.6885 -109326.1222 297.9636 -161172.8108 -108962.0523 299.3246 -92.4387 -66.2266 763549.5604 -3.9292 -3.9411 PRESSURE: 711600 -203.913 -18.6591 -6.74365 -18.6598 -63.985 115.789 -6.74426 115.789 78.3791 GPRESSURE: 711600 -165.036 -18.6423 86.1244 108.351 -81.8577 80.6396 34.4766 110.293 142.394 PRESSAVG: 711600 -18.9716 24.4864 -24.2976 24.4863 71.9947 4.75292 -24.2976 4.75292 19.9348 GPRESSAVG: 711600 -19.2818 25.2875 -21.6419 27.1063 71.0817 3.37757 -25.4611 6.51904 20.8683 TIMING: 711600 CPU: 2248.73, 0.0031591/step Wall: 2248.73, 0.0031591/step, 3.76319 hours remaining, 233.839844 MB of memory in use. ENERGY: 711600 3991.0975 20675.7282 14473.8373 241.1997 -203272.9712 2521.0769 0.0000 0.0000 51943.5651 -109426.4665 298.5204 -161370.0316 -109068.7712 299.1490 -63.1731 -34.8331 761943.4923 24.3193 24.2227 PRESSURE: 711800 -136.751 -263.993 -134.269 -263.993 -259.754 159.452 -134.268 159.452 -241.169 GPRESSURE: 711800 -87.2704 -183.998 -164.008 -307.253 -174.268 203.977 -25.6097 54.2243 -289.152 PRESSAVG: 711800 -48.9162 -0.222264 -2.90404 -0.22238 19.5205 5.70989 -2.90406 5.70983 4.56188 GPRESSAVG: 711800 -48.6493 0.649595 -5.80081 -3.79436 20.8343 6.11604 -0.192747 5.97893 3.44184 TIMING: 711800 CPU: 2249.36, 0.00315981/step Wall: 2249.36, 0.00315981/step, 3.76386 hours remaining, 233.839844 MB of memory in use. ENERGY: 711800 3971.7334 20575.8481 14483.8263 267.9743 -202992.1841 2288.1966 0.0000 0.0000 52196.3515 -109208.2539 299.9731 -161404.6055 -108854.5758 299.2581 -212.5580 -183.5635 761334.9496 -8.2779 -8.1244 PRESSURE: 712000 -139.008 264.165 -43.3367 264.166 -124.683 102.131 -43.3375 102.131 241.966 GPRESSURE: 712000 -104.014 241.464 -21.8971 123.092 -43.1658 152.857 2.89412 38.628 217.748 PRESSAVG: 712000 -14.0896 78.7426 -9.04191 78.7427 65.9262 -9.61943 -9.04192 -9.61941 -15.364 GPRESSAVG: 712000 -14.9422 78.7222 -7.89987 79.388 66.4045 -9.05828 -11.5922 -9.30245 -15.1673 TIMING: 712000 CPU: 2249.99, 0.0031414/step Wall: 2249.99, 0.0031414/step, 3.74176 hours remaining, 233.839844 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: 712000 3988.9980 20600.7936 14501.9154 246.6743 -202824.8944 2474.7021 0.0000 0.0000 51998.7840 -109013.0268 298.8377 -161011.8109 -108652.9484 299.2684 -7.2416 23.5225 762955.8330 12.1575 12.0983 PRESSURE: 712200 -172.118 -113.243 -35.2192 -113.242 -339.4 95.0112 -35.2198 95.0116 -254.291 GPRESSURE: 712200 -197.353 -95.617 37.3691 -141.901 -310.069 53.1058 30.658 -48.325 -171.319 PRESSAVG: 712200 -45.4158 -50.7848 16.4023 -50.7847 53.7987 -15.922 16.4023 -15.9221 2.08856 GPRESSAVG: 712200 -45.0504 -50.784 16.9663 -47.5578 52.888 -14.9336 15.6911 -17.2413 2.70402 TIMING: 712200 CPU: 2250.62, 0.00317584/step Wall: 2250.62, 0.00317584/step, 3.78261 hours remaining, 233.839844 MB of memory in use. ENERGY: 712200 3937.2739 20545.6864 14504.2533 238.3628 -202837.6858 2542.1043 0.0000 0.0000 52134.3473 -108935.6578 299.6168 -161070.0051 -108564.3529 299.9972 -255.2696 -226.2470 763597.2258 3.4905 3.5138 LDB: ============= START OF LOAD BALANCING ============== 2263.15 LDB: ============== END OF LOAD BALANCING =============== 2263.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2263.16 LDB: ============= START OF LOAD BALANCING ============== 2263.47 LDB: Largest compute 7060 load 0.030192 is 15.5% of average load 0.195207 LDB: Average compute 0.004425 is 2.3% of average load 0.195207 LDB: TIME 2263.48 LOAD: AVG 0.195207 MAX 0.211598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.668 MB LDB: TIME 2263.48 LOAD: AVG 0.195207 MAX 0.211598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.672 MB LDB: TIME 2263.48 LOAD: AVG 0.195207 MAX 0.211598 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.672 MB LDB: ============== END OF LOAD BALANCING =============== 2263.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2263.48 PRESSURE: 712400 -410.132 -216.71 99.9475 -216.708 148.982 67.9986 99.9477 67.9996 -31.9181 GPRESSURE: 712400 -287.19 -260.841 142.733 -138.379 167.196 117.999 94.6575 -65.9667 -91.7104 PRESSAVG: 712400 -38.9631 -23.6234 -9.47968 -23.6234 59.0019 -4.34639 -9.4797 -4.34637 -8.06249 GPRESSAVG: 712400 -39.4434 -24.738 -9.37657 -25.0364 59.5776 -5.11401 -9.31333 -4.70804 -8.05253 TIMING: 712400 CPU: 2251.27, 0.00323545/step Wall: 2251.27, 0.00323545/step, 3.85342 hours remaining, 232.800781 MB of memory in use. ENERGY: 712400 3995.1621 20685.6921 14482.5143 252.8928 -202966.8884 2515.1605 0.0000 0.0000 52091.5607 -108943.9059 299.3709 -161035.4667 -108583.4422 299.6790 -97.6893 -70.5682 762123.0804 3.9921 4.0272 PRESSURE: 712600 0.592109 51.1748 33.1413 51.1753 201.166 -2.39318 33.1407 -2.39337 79.6679 GPRESSURE: 712600 112.123 193.435 77.2457 -120.051 145.922 -12.1814 -101.093 -3.86215 112.958 PRESSAVG: 712600 -46.5516 18.9698 -4.22205 18.9698 47.1945 -68.8026 -4.22203 -68.8027 -24.6088 GPRESSAVG: 712600 -45.1689 20.2094 -4.7575 18.1779 47.4244 -69.285 -4.13998 -68.3703 -25.8214 TIMING: 712600 CPU: 2251.9, 0.00316384/step Wall: 2251.9, 0.00316384/step, 3.76796 hours remaining, 233.003906 MB of memory in use. ENERGY: 712600 4024.1395 20520.1926 14426.2598 246.3352 -203127.2367 2778.7523 0.0000 0.0000 52221.0857 -108910.4717 300.1153 -161131.5573 -108554.9985 299.9276 93.8086 123.6680 759650.8372 -7.9886 -7.8553 PRESSURE: 712800 -198.513 -217.943 122.413 -217.943 23.9149 -13.5822 122.413 -13.5826 14.2575 GPRESSURE: 712800 -102.829 -160.611 112.731 -188.166 40.0153 -29.5 129.054 41.8123 -11.9436 PRESSAVG: 712800 -9.91073 -6.79864 29.4486 -6.79861 58.1037 -57.8494 29.4487 -57.8495 -10.806 GPRESSAVG: 712800 -9.65444 -5.89559 29.1682 -6.03949 57.072 -57.8426 29.764 -56.9019 -10.084 TIMING: 712800 CPU: 2252.53, 0.00316675/step Wall: 2252.53, 0.00316675/step, 3.77125 hours remaining, 233.003906 MB of memory in use. ENERGY: 712800 3928.7215 20646.8850 14479.7429 250.9109 -202547.0769 2132.1328 0.0000 0.0000 52059.4380 -109049.2458 299.1863 -161108.6838 -108692.5083 299.6017 -53.4468 -24.9192 762928.7019 12.4623 12.4445 PRESSURE: 713000 11.5436 -174.917 -62.558 -174.917 -210.86 100.869 -62.5581 100.868 321.271 GPRESSURE: 713000 -43.5379 -105.066 -109.793 -186.448 -80.5181 91.2666 -93.3712 -0.555007 324.71 PRESSAVG: 713000 23.8725 -34.0947 12.3074 -34.0947 1.84011 23.8263 12.3075 23.8262 1.12343 GPRESSAVG: 713000 21.6001 -35.0055 14.2623 -32.631 3.52014 23.6798 13.1385 23.1806 0.950449 TIMING: 713000 CPU: 2253.17, 0.00316065/step Wall: 2253.17, 0.00316065/step, 3.76381 hours remaining, 233.003906 MB of memory in use. ENERGY: 713000 3965.7582 20689.9499 14486.3582 247.8914 -203012.7482 2662.9046 0.0000 0.0000 52071.9209 -108887.9650 299.2580 -160959.8859 -108525.7265 299.7273 40.6516 66.8847 762396.0550 8.9453 8.6902 PRESSURE: 713200 -97.2306 18.9671 25.8386 18.9672 199.939 -121.096 25.8379 -121.095 -287.724 GPRESSURE: 713200 25.7591 -55.3575 -1.58035 -99.9722 139.698 -106.919 32.6456 -146.149 -244.723 PRESSAVG: 713200 -33.3452 -27.6113 -54.8371 -27.6114 51.6897 27.5246 -54.8371 27.5246 15.5343 GPRESSAVG: 713200 -31.7647 -29.77 -56.4374 -27.2117 49.3738 26.6714 -55.0954 27.5076 16.1396 TIMING: 713200 CPU: 2253.8, 0.00315265/step Wall: 2253.8, 0.00315265/step, 3.75411 hours remaining, 233.003906 MB of memory in use. ENERGY: 713200 3954.5520 20600.8609 14468.5527 251.0356 -203260.9805 2837.9337 0.0000 0.0000 52215.6625 -108932.3831 300.0841 -161148.0456 -108568.1230 299.9158 -61.6717 -26.4219 761797.5050 11.2929 11.2496 PRESSURE: 713400 171.566 -54.1263 42.8975 -54.1251 -13.8585 84.2521 42.897 84.2512 -173.789 GPRESSURE: 713400 247.268 -61.2973 0.792641 49.5208 27.162 36.4845 -138.829 81.8206 -184.661 PRESSAVG: 713400 -7.04924 -13.3989 -38.8612 -13.399 4.12315 15.8666 -38.8613 15.8665 21.7843 GPRESSAVG: 713400 -7.49467 -11.826 -39.2602 -12.5586 6.00652 15.0115 -38.3015 17.0908 19.9902 TIMING: 713400 CPU: 2254.43, 0.00316633/step Wall: 2254.43, 0.00316633/step, 3.77022 hours remaining, 233.003906 MB of memory in use. ENERGY: 713400 4004.1136 20653.3292 14388.1808 236.7523 -203039.7095 2665.2488 0.0000 0.0000 51959.4115 -109132.6733 298.6115 -161092.0848 -108771.0406 299.6633 -5.3605 29.9230 762253.4788 6.2861 6.1673 PRESSURE: 713600 -118.893 133.579 32.2162 133.579 427.947 -12.5582 32.2164 -12.5585 74.6093 GPRESSURE: 713600 -30.6781 146.075 -82.6598 84.8878 415.901 -91.7145 -47.7873 96.6432 81.0871 PRESSAVG: 713600 -7.64322 -12.9346 2.14543 -12.9346 42.8118 22.8455 2.14543 22.8455 -7.06537 GPRESSAVG: 713600 -6.40046 -13.5645 2.89927 -14.7261 41.804 24.8033 0.334418 21.8066 -6.60009 TIMING: 713600 CPU: 2255.06, 0.0031661/step Wall: 2255.06, 0.0031661/step, 3.76978 hours remaining, 233.003906 MB of memory in use. ENERGY: 713600 3984.8060 20575.9043 14497.5765 235.1349 -203214.8313 2573.5973 0.0000 0.0000 52216.3844 -109131.4281 300.0883 -161347.8124 -108763.6357 299.3555 127.8880 155.4367 761225.1169 9.3677 9.6011 PRESSURE: 713800 -52.0719 -5.69132 1.00156 -5.69103 -179.951 112.597 1.00209 112.598 -49.1088 GPRESSURE: 713800 -105.44 -33.0308 -13.3518 -4.14027 -11.0702 150.927 40.7434 140.185 -72.1951 PRESSAVG: 713800 2.8851 -20.1839 -28.8253 -20.184 15.6042 1.05384 -28.8253 1.05385 18.3766 GPRESSAVG: 713800 0.756156 -21.0825 -28.7906 -21.9488 17.769 0.222654 -27.4928 3.8597 18.602 TIMING: 713800 CPU: 2255.69, 0.00315559/step Wall: 2255.69, 0.00315559/step, 3.75708 hours remaining, 233.003906 MB of memory in use. ENERGY: 713800 4002.4679 20565.8971 14527.2561 253.3080 -203206.7606 2373.2106 0.0000 0.0000 52222.6234 -109261.9974 300.1241 -161484.6208 -108901.0142 299.2764 -93.7104 -62.9019 761312.3785 12.2886 12.3757 PRESSURE: 714000 2.28616 -49.9671 69.4949 -49.9676 50.2549 -81.0744 69.4955 -81.0733 -310.126 GPRESSURE: 714000 170.912 -57.8168 27.7388 17.5862 33.9247 77.2723 -16.1199 -249.37 -376.415 PRESSAVG: 714000 -19.9663 12.346 -60.0874 12.3459 33.2851 -37.5558 -60.0874 -37.5559 -15.8226 GPRESSAVG: 714000 -17.3613 12.3901 -61.4239 14.3387 31.503 -37.3577 -58.9014 -38.1947 -17.1814 TIMING: 714000 CPU: 2256.33, 0.00316312/step Wall: 2256.33, 0.00316312/step, 3.76587 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: 714000 4060.9411 20634.3898 14501.1391 246.9172 -203163.3755 2599.3331 0.0000 0.0000 51839.2322 -109281.4231 297.9208 -161120.6553 -108928.4448 299.6857 -85.8616 -57.1930 761271.4193 -0.8346 -1.0132 PRESSURE: 714200 -72.8388 330.638 -31.2997 330.638 49.1018 103.895 -31.3014 103.894 -264.841 GPRESSURE: 714200 35.8392 420.176 -7.52766 418.949 -3.55023 58.6073 22.4932 111.108 -230.407 PRESSAVG: 714200 -40.213 16.2027 -47.9993 16.2027 54.2861 24.6054 -47.9993 24.6054 -7.61436 GPRESSAVG: 714200 -40.0646 17.5528 -47.2659 15.9902 53.5457 24.4347 -46.5176 24.525 -7.61347 TIMING: 714200 CPU: 2256.96, 0.00314939/step Wall: 2256.96, 0.00314938/step, 3.74934 hours remaining, 233.003906 MB of memory in use. ENERGY: 714200 3989.5745 20562.1853 14453.0658 241.9089 -203648.6346 2851.2462 0.0000 0.0000 52245.6297 -109305.0242 300.2564 -161550.6539 -108932.6188 299.4405 -96.1928 -66.0393 761483.1033 2.1529 1.9559 PRESSURE: 714400 -325.541 133.412 101.8 133.412 65.5655 -38.1374 101.8 -38.1372 319.986 GPRESSURE: 714400 -310.244 99.0741 250.843 45.5759 148.641 -13.3182 92.4006 1.14867 313.41 PRESSAVG: 714400 -39.5296 83.2533 55.3855 83.2533 24.2478 0.578866 55.3856 0.578881 -3.15912 GPRESSAVG: 714400 -41.5505 84.092 54.4991 82.434 25.5691 1.90777 52.1123 -1.95539 -2.59545 TIMING: 714400 CPU: 2257.59, 0.00316015/step Wall: 2257.59, 0.00316015/step, 3.76198 hours remaining, 233.003906 MB of memory in use. ENERGY: 714400 3980.0605 20463.7749 14510.3964 290.3111 -203293.2067 2805.1611 0.0000 0.0000 51995.8155 -109247.6872 298.8207 -161243.5027 -108892.4605 299.3119 20.0037 50.6023 762958.6150 -6.1470 -6.1923 PRESSURE: 714600 192.13 -15.5548 -62.9136 -15.5553 -126.413 -52.3755 -62.9124 -52.3759 186.205 GPRESSURE: 714600 217.739 77.8369 -11.5935 11.943 -100.941 60.0469 -30.6433 -102.145 233.957 PRESSAVG: 714600 -42.4705 51.2966 10.1315 51.2965 27.8443 -23.2676 10.1314 -23.2676 -6.25371 GPRESSAVG: 714600 -42.7421 50.1362 13.1413 52.2007 27.9422 -22.9775 7.80071 -21.9751 -5.65356 TIMING: 714600 CPU: 2258.22, 0.00317302/step Wall: 2258.22, 0.00317302/step, 3.77712 hours remaining, 233.003906 MB of memory in use. ENERGY: 714600 3895.5282 20656.5461 14477.3354 230.0363 -203376.5933 2794.3411 0.0000 0.0000 52284.9386 -109037.8675 300.4823 -161322.8062 -108679.8861 299.3561 83.9741 116.9180 762035.4764 -6.9600 -6.8178 PRESSURE: 714800 -386.113 174.503 -42.7352 174.502 -46.7778 -181.696 -42.7353 -181.695 -172.489 GPRESSURE: 714800 -322.869 135.754 -0.0436336 153.09 5.55002 -181.963 -67.8316 -93.7532 -197.763 PRESSAVG: 714800 41.1744 -52.9592 -58.4484 -52.9591 -37.4033 -5.39099 -58.4484 -5.39098 21.9858 GPRESSAVG: 714800 42.6969 -52.5533 -59.1153 -52.5749 -38.0481 -5.58451 -58.3125 -4.90479 21.3741 TIMING: 714800 CPU: 2258.86, 0.00316128/step Wall: 2258.86, 0.00316128/step, 3.76298 hours remaining, 233.003906 MB of memory in use. ENERGY: 714800 4150.0173 20430.3514 14475.3906 267.8305 -203517.2758 2719.1749 0.0000 0.0000 52160.5651 -109313.9461 299.7675 -161474.5112 -108944.3622 299.5755 -201.7932 -171.6942 761608.0930 8.5856 8.6743 PRESSURE: 715000 -93.5166 10.7215 -53.7845 10.7216 14.6944 45.2581 -53.7844 45.2585 381.789 GPRESSURE: 715000 -61.6974 -109.92 -32.5989 -86.0604 71.9562 22.4554 -116.502 102.618 372.478 PRESSAVG: 715000 -23.0042 25.4674 -10.1682 25.4674 8.95318 -25.6249 -10.1682 -25.6248 10.2186 GPRESSAVG: 715000 -23.6518 26.3732 -11.1496 25.2741 10.2252 -25.4561 -8.72539 -26.3727 9.79667 TIMING: 715000 CPU: 2259.49, 0.00317802/step Wall: 2259.49, 0.00317802/step, 3.78272 hours remaining, 233.003906 MB of memory in use. ENERGY: 715000 3977.4747 20643.0826 14454.6818 242.3540 -203057.5618 2646.4840 0.0000 0.0000 51976.9506 -109116.5339 298.7122 -161093.4846 -108746.3277 299.6730 100.9889 127.5791 762183.0007 -1.2775 -1.2100 PRESSURE: 715200 118.269 -16.3148 -4.42953 -16.3146 168.025 161.875 -4.43021 161.876 -281.417 GPRESSURE: 715200 259.047 -41.0255 -5.68467 -97.0002 141.508 201.356 -106.402 126.973 -302.849 PRESSAVG: 715200 63.1577 -37.4949 -62.8574 -37.4949 -58.6304 -12.3347 -62.8573 -12.3346 -6.71955 GPRESSAVG: 715200 64.041 -37.6655 -62.431 -36.893 -59.8076 -10.2852 -63.9129 -13.6967 -6.61706 TIMING: 715200 CPU: 2260.13, 0.00317203/step Wall: 2260.13, 0.00317203/step, 3.77542 hours remaining, 233.003906 MB of memory in use. ENERGY: 715200 3984.9433 20552.1518 14444.8698 254.2156 -202967.8908 2746.8177 0.0000 0.0000 52018.7336 -108966.1590 298.9524 -160984.8926 -108596.5899 299.4518 1.6257 32.5684 762176.4743 -0.7308 -0.7945 PRESSURE: 715400 -307.612 134.282 -255.155 134.282 -83.7851 -42.6795 -255.156 -42.6795 85.193 GPRESSURE: 715400 -254.518 95.9535 -278.088 198.551 10.0402 19.9288 -417.581 -55.9023 19.7636 PRESSAVG: 715400 40.1479 36.6621 -67.6073 36.6621 -25.3735 35.5905 -67.6074 35.5905 13.3836 GPRESSAVG: 715400 40.5793 34.8221 -68.6714 35.8729 -25.6648 31.8979 -67.9655 39.2444 13.5972 TIMING: 715400 CPU: 2260.76, 0.00318262/step Wall: 2260.76, 0.00318262/step, 3.78785 hours remaining, 233.003906 MB of memory in use. ENERGY: 715400 3985.2023 20679.8498 14510.0206 262.1414 -202740.6238 2350.3541 0.0000 0.0000 52123.3046 -108829.7511 299.5533 -160953.0557 -108481.2919 299.7926 -102.0679 -74.9047 762189.7081 9.3860 9.5039 PRESSURE: 715600 625.646 -38.652 -110.457 -38.6514 314.74 261.279 -110.456 261.28 132.647 GPRESSURE: 715600 646.695 -20.9232 -113.555 27.4647 356.016 234.666 -33.5257 152.213 155.582 PRESSAVG: 715600 22.0975 9.90896 -49.6736 9.90892 11.019 4.55626 -49.6736 4.55622 -2.67515 GPRESSAVG: 715600 21.4348 10.8773 -50.4242 11.5247 11.8 5.17847 -47.4962 2.40296 -3.07486 TIMING: 715600 CPU: 2261.39, 0.0031647/step Wall: 2261.39, 0.0031647/step, 3.76635 hours remaining, 233.003906 MB of memory in use. ENERGY: 715600 3984.0572 20604.5075 14434.2263 245.9053 -203559.0994 3100.2451 0.0000 0.0000 52388.4032 -108801.7549 301.0769 -161190.1581 -108446.7522 300.3828 357.6776 386.0979 761745.4468 10.1471 10.0533 PRESSURE: 715800 -85.8265 194.141 96.572 194.141 48.9961 -49.5395 96.5717 -49.5402 -567.982 GPRESSURE: 715800 -47.2313 146.25 176.791 85.0528 47.9928 -64.4281 29.0987 -32.7138 -522.701 PRESSAVG: 715800 22.8121 -37.4971 -46.7065 -37.4971 -24.7837 0.537724 -46.7065 0.537661 2.32784 GPRESSAVG: 715800 22.3663 -37.2944 -44.8397 -40.494 -25.151 1.38043 -49.7814 0.194586 4.14307 TIMING: 715800 CPU: 2262.03, 0.00315827/step Wall: 2262.03, 0.00315827/step, 3.75851 hours remaining, 233.003906 MB of memory in use. ENERGY: 715800 4111.4815 20342.1177 14482.5359 251.1333 -202532.8647 2408.1322 0.0000 0.0000 52214.4393 -108723.0248 300.0771 -160937.4641 -108363.2590 300.6116 -201.6040 -173.9800 762691.5452 0.1188 0.4528 PRESSURE: 716000 277.488 -95.7872 -96.4107 -95.7879 -304.427 3.36886 -96.4114 3.36836 -83.8436 GPRESSURE: 716000 326.526 -8.55376 -164.754 62.4715 -243.241 105.374 -119.731 -154.798 -95.2757 PRESSAVG: 716000 44.1456 36.2955 -43.5053 36.2955 11.4371 -37.0805 -43.5053 -37.0805 16.161 GPRESSAVG: 716000 43.2227 35.0896 -43.145 38.9413 12.1575 -37.6031 -41.0054 -36.7644 16.3021 TIMING: 716000 CPU: 2262.66, 0.00316597/step Wall: 2262.66, 0.00316597/step, 3.7675 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: 716000 3919.8190 20503.2394 14432.3462 235.0391 -202920.8902 2805.7530 0.0000 0.0000 52020.0608 -109004.6327 298.9600 -161024.6936 -108635.0455 300.2897 -36.9274 -3.9967 764436.8514 23.9146 23.8941 PRESSURE: 716200 48.5426 -4.83504 -80.8958 -4.83543 -105.52 -44.5872 -80.8965 -44.5867 375.946 GPRESSURE: 716200 102.989 -12.4126 -110.614 1.59889 -14.7897 -34.9119 -197.841 -83.5144 304.632 PRESSAVG: 716200 13.7449 -3.23264 -74.009 -3.23261 -24.0203 -19.8634 -74.009 -19.8634 5.04496 GPRESSAVG: 716200 14.7231 -0.439627 -73.4949 -3.64175 -24.1202 -19.047 -74.534 -19.429 3.62667 TIMING: 716200 CPU: 2263.3, 0.00318121/step Wall: 2263.3, 0.00318121/step, 3.78547 hours remaining, 233.003906 MB of memory in use. ENERGY: 716200 3897.1125 20568.8751 14509.2882 224.7441 -203038.1755 2731.6548 0.0000 0.0000 52132.4318 -108974.0689 299.6058 -161106.5008 -108595.5195 299.9666 106.3229 130.9437 763295.7510 -1.7435 -1.9235 LDB: ============= START OF LOAD BALANCING ============== 2275.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2275.83 LDB: =============== DONE WITH MIGRATION ================ 2275.83 LDB: ============= START OF LOAD BALANCING ============== 2276.15 LDB: Largest compute 7060 load 0.031950 is 16.4% of average load 0.195173 LDB: Average compute 0.004414 is 2.3% of average load 0.195173 LDB: TIME 2276.15 LOAD: AVG 0.195173 MAX 0.211873 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.57 MB LDB: TIME 2276.15 LOAD: AVG 0.195173 MAX 0.211873 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.773 MB LDB: TIME 2276.15 LOAD: AVG 0.195173 MAX 0.211873 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.773 MB LDB: ============== END OF LOAD BALANCING =============== 2276.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2276.16 PRESSURE: 716400 123.299 -81.759 -496.192 -81.7603 13.559 -96.5548 -496.192 -96.5559 -91.4182 GPRESSURE: 716400 84.7478 40.0648 -539.301 -23.3892 111.204 -118.829 -353.102 -70.5507 -83.4076 PRESSAVG: 716400 -3.78368 -17.4768 -108.167 -17.4768 -24.1802 4.50638 -108.167 4.50628 -15.8066 GPRESSAVG: 716400 -3.57468 -19.9402 -110.504 -15.3112 -25.4578 4.62852 -107.035 0.986641 -14.6438 TIMING: 716400 CPU: 2263.94, 0.00322146/step Wall: 2263.94, 0.00322146/step, 3.83318 hours remaining, 232.085938 MB of memory in use. ENERGY: 716400 3905.5746 20726.0271 14547.5233 233.4722 -203437.5522 2757.3474 0.0000 0.0000 52215.1057 -109052.5019 300.0809 -161267.6075 -108689.1443 300.3212 15.1466 37.5147 762573.2587 -14.5902 -14.5588 PRESSURE: 716600 43.5199 -39.5114 12.4747 -39.5104 42.268 147.061 12.4744 147.06 180.712 GPRESSURE: 716600 93.7447 -142.49 99.2246 -47.2322 79.418 137.129 -47.2654 182.324 180.272 PRESSAVG: 716600 -19.7098 -0.135207 -36.4564 -0.135188 32.5843 -14.3657 -36.4564 -14.3657 -5.37167 GPRESSAVG: 716600 -20.6682 2.39778 -35.5997 -5.27743 32.5207 -15.4857 -38.273 -10.4922 -5.45584 TIMING: 716600 CPU: 2264.58, 0.00317796/step Wall: 2264.58, 0.00317796/step, 3.78124 hours remaining, 232.289062 MB of memory in use. ENERGY: 716600 3963.0634 20640.4405 14507.3902 257.2514 -203518.0800 2934.6673 0.0000 0.0000 52048.1824 -109167.0848 299.1216 -161215.2672 -108805.7926 299.6456 88.8333 117.8115 761453.9569 2.5010 2.1322 PRESSURE: 716800 64.8742 40.0422 358.411 40.0423 289.716 111.363 358.412 111.363 -30.8329 GPRESSURE: 716800 133.188 74.6384 340.273 12.2972 322.814 154.061 53.2422 79.3885 -53.8854 PRESSAVG: 716800 50.3298 43.691 -102.079 43.691 -44.904 19.5643 -102.079 19.5644 18.6193 GPRESSAVG: 716800 51.2237 40.2989 -103.079 46.2545 -44.9641 19.8583 -102.774 17.3566 17.7535 TIMING: 716800 CPU: 2265.21, 0.00317885/step Wall: 2265.21, 0.00317885/step, 3.78213 hours remaining, 232.289062 MB of memory in use. ENERGY: 716800 3986.6690 20595.6566 14485.0862 246.2386 -203361.5519 2794.5240 0.0000 0.0000 52032.5215 -109220.8560 299.0316 -161253.3775 -108864.8646 299.7127 107.9192 134.0390 762668.3385 8.0151 8.0044 PRESSURE: 717000 102.781 59.7374 40.1355 59.7382 22.743 -134.063 40.1345 -134.062 -28.4149 GPRESSURE: 717000 83.3144 14.3332 39.9707 42.0404 110.576 -169.216 58.236 -39.9609 0.469392 PRESSAVG: 717000 61.1018 8.84087 -22.1722 8.84084 -21.2824 17.3881 -22.1722 17.388 2.02766 GPRESSAVG: 717000 59.8544 8.48568 -21.8608 9.6728 -20.0295 16.2901 -20.6863 18.7873 1.83987 TIMING: 717000 CPU: 2265.85, 0.00317147/step Wall: 2265.85, 0.00317147/step, 3.77317 hours remaining, 232.289062 MB of memory in use. ENERGY: 717000 3971.8333 20556.0308 14528.8208 244.4124 -203194.5860 2593.7274 0.0000 0.0000 52300.0584 -108999.7030 300.5692 -161299.7614 -108635.5733 299.7934 32.3698 64.7866 761758.0340 13.9490 13.8883 PRESSURE: 717200 234.252 38.6916 79.3897 38.6919 279.858 8.57463 79.3888 8.57482 52.8263 GPRESSURE: 717200 357.095 46.3948 57.1115 111.546 189.036 38.864 77.0215 27.828 96.626 PRESSAVG: 717200 27.7573 -5.08596 -4.95128 -5.08592 -34.3064 -1.54195 -4.95134 -1.54189 3.94219 GPRESSAVG: 717200 28.3622 -4.31765 -3.65504 -4.26358 -35.138 -1.36977 -5.47736 -0.989265 4.49606 TIMING: 717200 CPU: 2266.47, 0.00313899/step Wall: 2266.47, 0.00313899/step, 3.73435 hours remaining, 232.492188 MB of memory in use. ENERGY: 717200 3930.5958 20542.1807 14548.7683 255.8894 -203530.5196 2905.4887 0.0000 0.0000 52421.5028 -108926.0939 301.2671 -161347.5967 -108551.3217 300.3564 188.9787 214.2525 761685.5152 -0.8690 -0.7599 PRESSURE: 717400 -77.1944 -103.209 -68.8245 -103.209 26.9965 42.8316 -68.8249 42.8324 377.917 GPRESSURE: 717400 -11.7815 -166.09 -63.8614 -59.7938 117.478 10.9182 25.3235 40.8909 298.812 PRESSAVG: 717400 31.5062 5.54615 -36.5612 5.54609 -42.7719 -0.446501 -36.5612 -0.446467 -9.26631 GPRESSAVG: 717400 31.1809 6.73952 -38.3088 3.49849 -42.866 -0.357156 -35.4388 -1.44057 -9.15682 TIMING: 717400 CPU: 2267.11, 0.00315609/step Wall: 2267.11, 0.00315609/step, 3.75452 hours remaining, 232.492188 MB of memory in use. ENERGY: 717400 4016.8484 20630.6645 14514.5134 238.1465 -203536.0577 2931.7711 0.0000 0.0000 52256.5530 -108947.5608 300.3191 -161204.1137 -108579.6066 300.2773 109.2396 134.8361 760417.5778 -6.8440 -6.9473 PRESSURE: 717600 13.813 108.383 85.4592 108.383 234.89 -89.5174 85.4601 -89.5179 -449.558 GPRESSURE: 717600 -57.8314 126.346 34.6568 73.3893 309.853 -33.3757 160.019 -82.2699 -380.918 PRESSAVG: 717600 -11.0858 -4.85376 -11.5674 -4.85366 -6.71467 9.31988 -11.5673 9.31987 3.86949 GPRESSAVG: 717600 -12.1494 -5.55671 -11.7067 -6.55318 -6.13886 10.0929 -11.2492 10.0184 3.90575 TIMING: 717600 CPU: 2267.74, 0.00315768/step Wall: 2267.74, 0.00315768/step, 3.75623 hours remaining, 232.492188 MB of memory in use. ENERGY: 717600 4020.9730 20546.8869 14495.3025 257.2146 -203011.1702 2545.4268 0.0000 0.0000 52047.3200 -109098.0465 299.1167 -161145.3664 -108741.0769 300.0176 -66.9515 -42.9656 760774.9468 -4.6436 -4.7942 PRESSURE: 717800 -62.8586 42.5349 -201.605 42.5356 -48.3479 5.83319 -201.605 5.83246 -458.29 GPRESSURE: 717800 16.5774 41.3422 -216.344 63.2833 -82.9429 -9.60862 -241.394 -52.2062 -419.671 PRESSAVG: 717800 10.924 -85.2539 11.9639 -85.2539 -3.42186 -12.8896 11.9638 -12.8897 -9.33219 GPRESSAVG: 717800 12.2494 -84.4775 13.6063 -81.6673 -3.78726 -12.6945 11.6553 -15.9881 -10.2871 TIMING: 717800 CPU: 2268.37, 0.00317248/step Wall: 2268.37, 0.00317248/step, 3.77366 hours remaining, 232.492188 MB of memory in use. ENERGY: 717800 4059.4972 20436.8079 14483.7948 245.2202 -203185.7141 2612.1655 0.0000 0.0000 52131.4653 -109216.7632 299.6002 -161348.2285 -108858.8267 299.3873 -189.8322 -162.0123 761784.9290 -0.6100 -0.6083 PRESSURE: 718000 -193.073 -143.914 171.286 -143.914 152.439 -211.566 171.286 -211.567 -121.036 GPRESSURE: 718000 -86.5589 -114.508 185.427 -18.5688 139.781 -243.691 190.629 -160.328 -122.704 PRESSAVG: 718000 -8.45073 14.7448 -38.4686 14.7448 19.3181 -27.7353 -38.4686 -27.7352 0.466231 GPRESSAVG: 718000 -8.90635 14.678 -36.52 15.139 19.065 -27.4634 -40.7001 -25.2401 1.29352 TIMING: 718000 CPU: 2269.01, 0.00317315/step Wall: 2269.01, 0.00317315/step, 3.77428 hours remaining, 232.492188 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: 718000 4025.4295 20549.0199 14432.4332 241.8945 -202895.5027 2321.4848 0.0000 0.0000 51986.3831 -109338.8577 298.7665 -161325.2407 -108985.8849 298.8619 -53.8900 -23.1606 761182.2752 3.7779 3.8174 PRESSURE: 718200 -261.767 111.881 4.81865 111.88 112.362 -90.3267 4.81853 -90.3265 -78.5512 GPRESSURE: 718200 -172.715 67.7393 96.4995 107.336 97.8753 -92.2452 62.7387 -26.5209 -80.81 PRESSAVG: 718200 -20.5815 -21.2242 27.2094 -21.2242 31.2273 -2.21886 27.2093 -2.21886 15.4839 GPRESSAVG: 718200 -20.6479 -20.2334 25.4041 -21.6488 30.8394 -2.46266 28.408 -1.86719 16.0558 TIMING: 718200 CPU: 2269.64, 0.00317383/step Wall: 2269.64, 0.00317383/step, 3.77491 hours remaining, 232.492188 MB of memory in use. ENERGY: 718200 4040.9732 20668.2041 14478.9282 248.6282 -203295.9104 2633.4112 0.0000 0.0000 52113.0411 -109112.7244 299.4944 -161225.7655 -108749.5941 299.3063 -75.9854 -51.8831 762124.7072 8.7099 8.7491 PRESSURE: 718400 65.8776 126.813 50.1586 126.813 165.396 -39.7458 50.1588 -39.7461 723.757 GPRESSURE: 718400 180.235 17.115 40.2207 166.834 217.159 50.6537 40.8182 -111.597 651.317 PRESSAVG: 718400 -2.73298 17.0458 -22.7876 17.0458 0.900325 5.41218 -22.7876 5.41215 14.0133 GPRESSAVG: 718400 -2.64473 15.5153 -23.5528 15.0594 1.13687 6.35629 -22.4091 5.582 13.8379 TIMING: 718400 CPU: 2270.27, 0.00316691/step Wall: 2270.27, 0.00316691/step, 3.76651 hours remaining, 232.492188 MB of memory in use. ENERGY: 718400 3914.9130 20601.2601 14454.5980 260.5638 -203256.8649 2700.9818 0.0000 0.0000 52020.6041 -109303.9442 298.9631 -161324.5482 -108942.8307 299.5600 318.3434 349.5704 762089.0291 4.0602 4.1100 PRESSURE: 718600 -582.624 -269.316 -130.399 -269.317 -148.068 -23.957 -130.4 -23.9569 -478.372 GPRESSURE: 718600 -523.349 -98.7273 -141.131 -104.743 -155.057 13.1585 -234.7 -139.252 -449.862 PRESSAVG: 718600 -48.6279 -4.37228 -22.1206 -4.37229 36.9646 -28.8024 -22.1206 -28.8024 17.4872 GPRESSAVG: 718600 -48.8011 -2.99739 -21.4997 -4.15686 38.1435 -30.3892 -22.4571 -30.2698 16.5676 TIMING: 718600 CPU: 2270.91, 0.00318437/step Wall: 2270.91, 0.00318437/step, 3.7871 hours remaining, 232.492188 MB of memory in use. ENERGY: 718600 4034.9747 20504.9929 14477.8162 240.4703 -202787.4704 2250.3953 0.0000 0.0000 52046.1564 -109232.6646 299.1100 -161278.8209 -108875.6544 299.7547 -403.0214 -376.0895 765024.8076 1.9413 1.9700 PRESSURE: 718800 -90.6251 5.19324 24.6561 5.19216 -82.6013 -11.2438 24.656 -11.2448 -242.533 GPRESSURE: 718800 -123.523 -13.2053 9.31938 44.3284 0.407554 -65.5967 88.7377 77.4877 -222.991 PRESSAVG: 718800 -17.5466 13.7134 -71.65 13.7134 -16.7509 -34.2583 -71.65 -34.2583 -14.6198 GPRESSAVG: 718800 -17.3823 13.3188 -70.9676 13.1746 -17.4437 -32.6547 -73.0285 -33.7148 -14.4456 TIMING: 718800 CPU: 2271.54, 0.00315009/step Wall: 2271.54, 0.00315009/step, 3.74615 hours remaining, 232.492188 MB of memory in use. ENERGY: 718800 4017.5186 20508.0081 14492.3218 249.3184 -203053.8381 2486.0781 0.0000 0.0000 51902.7863 -109397.8067 298.2860 -161300.5931 -109031.1228 298.9214 -138.5866 -115.3688 763912.0095 -16.3058 -16.4239 PRESSURE: 719000 -47.1109 90.187 4.04719 90.1864 36.5181 -191.938 4.0474 -191.938 -264.05 GPRESSURE: 719000 -37.0089 136.32 -41.0673 -34.1605 143.383 -137.562 -25.8247 -172.435 -281.076 PRESSAVG: 719000 -41.4369 -69.1127 -32.3853 -69.1128 63.7503 -25.1922 -32.3853 -25.1923 20.0405 GPRESSAVG: 719000 -41.9131 -71.3769 -32.1323 -65.9278 63.4459 -26.2038 -32.2732 -23.6779 20.9462 TIMING: 719000 CPU: 2272.17, 0.00315096/step Wall: 2272.17, 0.00315096/step, 3.74701 hours remaining, 232.492188 MB of memory in use. ENERGY: 719000 4041.9135 20342.8069 14464.8247 235.6488 -203573.0318 2942.2607 0.0000 0.0000 52211.1487 -109334.4285 300.0582 -161545.5773 -108971.4362 299.1369 -91.5478 -58.2341 763076.9910 14.1179 14.1597 PRESSURE: 719200 -389.916 3.06977 -49.1738 3.06917 326.286 154.3 -49.173 154.299 34.745 GPRESSURE: 719200 -297.009 47.3089 -32.4165 -49.0204 354.895 55.4168 7.08293 284.078 14.9672 PRESSAVG: 719200 4.76545 15.9343 -13.3939 15.9342 -31.7691 -43.0427 -13.394 -43.0427 -11.0684 GPRESSAVG: 719200 4.57497 17.9819 -13.7797 13.4595 -31.638 -43.1696 -12.9345 -43.9751 -11.1012 TIMING: 719200 CPU: 2272.8, 0.00314643/step Wall: 2272.8, 0.00314643/step, 3.74146 hours remaining, 232.492188 MB of memory in use. ENERGY: 719200 4042.8464 20565.7926 14566.5599 251.0608 -202911.3872 2358.6744 0.0000 0.0000 51989.6051 -109136.8480 298.7850 -161126.4531 -108787.7766 299.2438 -9.6286 24.2843 761142.1898 -12.6907 -12.7214 PRESSURE: 719400 591.27 69.9769 247.723 69.9767 228.452 -52.964 247.723 -52.963 364.902 GPRESSURE: 719400 541.14 20.557 154.521 -30.1208 325.788 -56.838 199.159 -78.2326 419.527 PRESSAVG: 719400 -22.4058 -8.73795 -49.4622 -8.73797 48.0653 -56.2306 -49.4623 -56.2305 -18.8641 GPRESSAVG: 719400 -23.0455 -9.10027 -52.171 -9.31591 48.7358 -54.8146 -48.8769 -57.3258 -18.8958 TIMING: 719400 CPU: 2273.43, 0.00316583/step Wall: 2273.43, 0.00316583/step, 3.76434 hours remaining, 232.492188 MB of memory in use. ENERGY: 719400 4015.5621 20598.4075 14482.0219 250.2830 -203331.6690 2808.6162 0.0000 0.0000 51697.1463 -109479.6320 297.1042 -161176.7783 -109125.9707 299.0316 394.8747 428.8185 762014.0669 2.2651 2.2648 PRESSURE: 719600 -178.343 151.441 -102.068 151.441 -246.987 -32.7138 -102.069 -32.7129 17.8549 GPRESSURE: 719600 -142.16 118.587 -191.446 116.785 -80.4393 -116.039 70.5086 -83.16 -130.822 PRESSAVG: 719600 -106.687 -21.945 -8.1751 -21.945 34.7198 10.5338 -8.17506 10.5339 -6.31653 GPRESSAVG: 719600 -106.62 -21.8072 -5.25518 -22.5352 35.4912 10.2054 -8.12434 10.0043 -7.36422 TIMING: 719600 CPU: 2274.07, 0.0031804/step Wall: 2274.07, 0.0031804/step, 3.78149 hours remaining, 232.492188 MB of memory in use. ENERGY: 719600 3985.7768 20642.7916 14433.2070 242.6483 -203215.9028 2466.1239 0.0000 0.0000 51807.2083 -109638.1469 297.7367 -161445.3552 -109270.6058 298.5798 -135.8253 -117.8071 762624.2115 -26.0945 -26.1644 PRESSURE: 719800 63.0199 139.391 -85.5102 139.391 502.715 239.591 -85.5101 239.592 -67.9327 GPRESSURE: 719800 193.396 16.3154 -64.6292 108.02 455.852 327.462 -16.3589 151.167 -71.8996 PRESSAVG: 719800 -70.9247 -2.64066 -10.7274 -2.64072 29.529 -36.8071 -10.7275 -36.8072 13.7543 GPRESSAVG: 719800 -71.1019 -3.40564 -10.0619 0.363362 29.5843 -38.1833 -10.8574 -33.3985 13.9778 TIMING: 719800 CPU: 2274.71, 0.00317898/step Wall: 2274.71, 0.00317898/step, 3.77963 hours remaining, 232.492188 MB of memory in use. ENERGY: 719800 4052.8241 20417.0825 14462.4774 227.5502 -203523.3101 2724.8543 0.0000 0.0000 52053.2919 -109585.2297 299.1510 -161638.5216 -109212.2913 298.3316 165.9341 192.4494 762119.1821 -9.2138 -9.1799 PRESSURE: 720000 118.363 78.403 69.0751 78.4035 96.5594 -158.296 69.0752 -158.297 -169.765 GPRESSURE: 720000 137.117 69.9583 70.5747 31.9437 113.248 -197.376 63.8421 -129.266 -117.522 PRESSAVG: 720000 3.07796 38.2552 -64.7165 38.2551 -4.76826 -7.02326 -64.7165 -7.02321 4.68985 GPRESSAVG: 720000 2.68987 38.3523 -65.1951 37.9558 -5.06199 -6.75212 -65.0282 -8.09446 5.13142 TIMING: 720000 CPU: 2275.34, 0.00315955/step Wall: 2275.34, 0.00315955/step, 3.75635 hours remaining, 232.492188 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: 720000 4038.0850 20507.5766 14487.5646 238.0644 -203645.2852 2798.2004 0.0000 0.0000 52155.9950 -109419.7992 299.7412 -161575.7942 -109063.4940 299.3301 15.0525 44.2808 762224.2867 0.9998 0.9198 PRESSURE: 720200 -233.366 257.192 74.6873 257.192 -273.843 113.453 74.6869 113.453 -191.443 GPRESSURE: 720200 -205.32 314.559 69.1813 221.115 -150.283 76.3959 119.733 150.182 -232.329 PRESSAVG: 720200 -35.3311 23.5031 5.17022 23.503 33.2225 -50.2858 5.17021 -50.2858 13.3615 GPRESSAVG: 720200 -35.8328 24.6731 5.52484 22.1918 32.4176 -51.7089 6.01474 -48.8636 13.938 TIMING: 720200 CPU: 2275.97, 0.00316958/step Wall: 2275.97, 0.00316958/step, 3.76811 hours remaining, 232.492188 MB of memory in use. ENERGY: 720200 4042.3032 20518.7090 14433.3706 246.0036 -203113.5920 2322.8766 0.0000 0.0000 52307.4305 -109242.8985 300.6115 -161550.3290 -108881.0049 299.0915 -232.8839 -195.9772 761511.7354 3.7510 3.5076 LDB: ============= START OF LOAD BALANCING ============== 2288.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2288.51 LDB: =============== DONE WITH MIGRATION ================ 2288.51 LDB: ============= START OF LOAD BALANCING ============== 2288.83 LDB: Largest compute 7060 load 0.032402 is 16.6% of average load 0.195245 LDB: Average compute 0.004412 is 2.3% of average load 0.195245 LDB: TIME 2288.83 LOAD: AVG 0.195245 MAX 0.212931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.828 MB LDB: TIME 2288.83 LOAD: AVG 0.195245 MAX 0.212931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.852 MB LDB: TIME 2288.83 LOAD: AVG 0.195245 MAX 0.212931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.852 MB LDB: ============== END OF LOAD BALANCING =============== 2288.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2288.84 PRESSURE: 720400 -358.137 -278.003 175.902 -278.004 225.4 236.392 175.903 236.392 78.8976 GPRESSURE: 720400 -341.912 -258.973 175.064 -56.178 232.391 249.835 53.3606 93.1295 130.028 PRESSAVG: 720400 -16.8414 41.0927 -37.3175 41.0927 31.3525 28.6871 -37.3175 28.6871 -8.72388 GPRESSAVG: 720400 -17.2853 39.865 -37.1364 43.2055 31.5065 31.4607 -38.8498 26.2245 -8.29063 TIMING: 720400 CPU: 2276.62, 0.00325072/step Wall: 2276.62, 0.00325072/step, 3.86438 hours remaining, 232.867188 MB of memory in use. ENERGY: 720400 4025.1528 20673.8803 14489.1221 261.3789 -203208.5015 2482.1363 0.0000 0.0000 51964.9048 -109311.9265 298.6430 -161276.8313 -108956.7346 299.2544 -17.9465 6.8356 759801.6605 1.9291 1.9768 PRESSURE: 720600 6.14708 -109.679 -16.4638 -109.679 22.4746 -383.347 -16.4635 -383.348 159.262 GPRESSURE: 720600 95.0923 -152.931 -56.2076 -116.676 51.093 -330.835 120.014 -327.962 118.148 PRESSAVG: 720600 -48.2249 -10.8149 -9.66378 -10.8149 20.7584 -52.3877 -9.66373 -52.3877 -15.5339 GPRESSAVG: 720600 -46.7199 -10.6977 -9.01442 -12.0395 19.5062 -53.2495 -8.95913 -50.3761 -15.6966 TIMING: 720600 CPU: 2277.25, 0.00316109/step Wall: 2277.25, 0.00316109/step, 3.75766 hours remaining, 233.070312 MB of memory in use. ENERGY: 720600 3956.3680 20578.9031 14475.8101 241.3616 -203433.9834 2837.6916 0.0000 0.0000 52214.5008 -109129.3481 300.0775 -161343.8489 -108768.1731 299.6778 62.6280 88.1112 760756.9515 -14.3335 -14.3034 PRESSURE: 720800 -7.06691 186.588 130.625 186.588 37.9095 53.8967 130.626 53.8964 -154.704 GPRESSURE: 720800 2.4863 172.513 139.309 121.153 106.929 -29.3351 141.257 110.165 -155.048 PRESSAVG: 720800 -26.4537 -43.9292 4.1655 -43.9293 23.2905 -7.6627 4.16551 -7.66267 -3.77624 GPRESSAVG: 720800 -27.3194 -43.1206 2.75508 -43.8586 24.3575 -8.17014 4.2837 -8.73044 -3.43363 TIMING: 720800 CPU: 2277.89, 0.00317717/step Wall: 2277.89, 0.00317717/step, 3.77659 hours remaining, 233.070312 MB of memory in use. ENERGY: 720800 3980.0832 20561.4938 14511.0499 248.7040 -203042.5740 2452.1882 0.0000 0.0000 52216.8175 -109072.2374 300.0908 -161289.0550 -108707.0243 299.9049 -41.2873 -15.2106 760282.4676 -2.3131 -2.1318 PRESSURE: 721000 27.2125 -87.4225 -122.818 -87.4235 145.088 -21.425 -122.818 -21.4249 531.503 GPRESSURE: 721000 2.68285 -183.834 -148.793 -192.948 242.008 50.973 -162.74 -0.249942 533.201 PRESSAVG: 721000 -50.4429 -49.5632 23.4073 -49.5633 66.1918 -26.6063 23.4073 -26.6064 15.632 GPRESSAVG: 721000 -50.3458 -47.6577 25.8369 -51.9798 66.8164 -26.2406 22.3353 -26.4108 14.9355 TIMING: 721000 CPU: 2278.53, 0.00318714/step Wall: 2278.53, 0.00318714/step, 3.78827 hours remaining, 233.070312 MB of memory in use. ENERGY: 721000 4014.9376 20545.8964 14463.9878 242.5606 -203366.7124 2882.0319 0.0000 0.0000 52304.6303 -108912.6678 300.5954 -161217.2982 -108557.5364 300.2588 234.6013 259.2974 761971.2140 10.4603 10.4687 PRESSURE: 721200 441.26 -127.09 43.4346 -127.09 -39.984 169.124 43.4352 169.124 -3.38127 GPRESSURE: 721200 453.68 -88.7079 -41.8577 -219.16 -18.0057 -6.35386 -11.8364 233.229 48.7472 PRESSAVG: 721200 -8.45566 -68.9597 -18.2813 -68.9597 16.3255 -47.3924 -18.2814 -47.3924 -12.4541 GPRESSAVG: 721200 -9.35289 -69.9091 -21.6551 -67.8613 17.2935 -47.5541 -15.529 -47.1576 -11.9232 TIMING: 721200 CPU: 2279.16, 0.00316229/step Wall: 2279.16, 0.00316229/step, 3.75856 hours remaining, 233.070312 MB of memory in use. ENERGY: 721200 4024.3231 20496.1529 14452.0827 248.1487 -203534.6877 2909.7942 0.0000 0.0000 52099.8593 -109304.3270 299.4186 -161404.1862 -108945.4235 299.6852 132.6315 161.4737 762039.0782 -1.5281 -1.3275 PRESSURE: 721400 316.627 -150.274 -280.222 -150.274 244.793 -48.4138 -280.222 -48.4144 322.446 GPRESSURE: 721400 349.676 -110.083 -259.551 -35.6032 338.487 -76.1682 -269.925 -51.3997 300.804 PRESSAVG: 721400 11.9214 -8.06341 -15.8218 -8.06339 38.3651 21.4475 -15.8217 21.4476 0.990748 GPRESSAVG: 721400 12.6999 -7.35929 -13.7424 -8.84386 37.4376 20.9724 -16.6338 21.86 1.31612 TIMING: 721400 CPU: 2279.8, 0.00320201/step Wall: 2279.8, 0.00320201/step, 3.80559 hours remaining, 233.070312 MB of memory in use. ENERGY: 721400 3921.9262 20542.5298 14431.1556 240.5947 -203352.7904 2829.7627 0.0000 0.0000 52158.8449 -109227.9764 299.7576 -161386.8213 -108869.8512 299.4816 294.6222 329.6553 761898.7777 17.0924 17.1512 PRESSURE: 721600 17.1724 62.8912 62.5085 62.8907 -383.808 -9.63647 62.5077 -9.6362 57.9196 GPRESSURE: 721600 39.6028 145.725 75.1297 6.21641 -240.519 36.2609 24.688 -5.8603 -15.8443 PRESSAVG: 721600 -11.2534 -8.72542 27.5438 -8.72539 -46.1523 14.5688 27.5437 14.5688 -12.6618 GPRESSAVG: 721600 -9.70478 -7.48517 26.4488 -6.71413 -47.1895 15.5915 26.5879 12.8999 -13.0966 TIMING: 721600 CPU: 2280.44, 0.00320175/step Wall: 2280.44, 0.00320175/step, 3.80511 hours remaining, 233.070312 MB of memory in use. ENERGY: 721600 3988.6640 20665.1246 14467.6827 250.2189 -203124.2227 2677.8584 0.0000 0.0000 51944.9294 -109129.7447 298.5282 -161074.6740 -108775.2862 299.1284 -102.9054 -72.2536 762847.4388 -23.3558 -23.3303 PRESSURE: 721800 -335.871 120.896 -52.4205 120.895 -32.4999 -45.6656 -52.4197 -45.665 -78.0483 GPRESSURE: 721800 -360.419 228.796 -43.1257 244.165 70.259 -65.0817 22.7406 26.755 -67.7225 PRESSAVG: 721800 -9.39491 45.7171 21.1213 45.717 33.1458 32.2532 21.1213 32.2532 3.26793 GPRESSAVG: 721800 -10.2401 44.8812 19.6121 44.6481 34.4797 32.1849 21.1404 32.0677 3.61254 TIMING: 721800 CPU: 2281.08, 0.00318965/step Wall: 2281.08, 0.00318965/step, 3.79054 hours remaining, 233.070312 MB of memory in use. ENERGY: 721800 3974.4015 20634.7329 14506.8141 239.5943 -203558.6510 2738.0465 0.0000 0.0000 52167.8505 -109297.2111 299.8094 -161465.0616 -108935.1271 299.4799 -148.8065 -119.2941 762011.6525 9.0063 9.2841 PRESSURE: 722000 258.434 1.62212 -186.686 1.62098 -49.7942 -240.717 -186.686 -240.718 153.948 GPRESSURE: 722000 283.071 -36.8201 -165.552 8.78188 -10.0659 -211.489 -165.139 -247.332 183.372 PRESSAVG: 722000 -8.41858 2.02187 3.64537 2.02189 28.25 7.78761 3.64534 7.78754 -22.6458 GPRESSAVG: 722000 -7.67182 1.74084 5.65288 3.37651 28.2703 7.32367 2.6499 7.63788 -23.337 TIMING: 722000 CPU: 2281.72, 0.00318787/step Wall: 2281.72, 0.00318787/step, 3.78826 hours remaining, 233.070312 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: 722000 4007.6517 20456.4545 14423.8147 237.6744 -202998.6506 2626.1297 0.0000 0.0000 52023.4607 -109223.4649 298.9795 -161246.9256 -108864.0858 299.3602 120.8625 152.1254 760524.7269 -0.9381 -0.9128 PRESSURE: 722200 -121.81 -153.234 113.514 -153.234 136.547 -90.7855 113.515 -90.7846 -46.2036 GPRESSURE: 722200 -58.1045 -162.898 128.857 -61.4222 208.455 -132.968 144.429 -74.8998 -111.603 PRESSAVG: 722200 2.86178 -8.78017 -53.4542 -8.78018 51.0678 -7.44217 -53.4543 -7.44214 12.3222 GPRESSAVG: 722200 3.37303 -8.81889 -54.2235 -9.61947 50.772 -6.72477 -52.3158 -7.06006 11.7414 TIMING: 722200 CPU: 2282.35, 0.00318791/step Wall: 2282.35, 0.00318791/step, 3.78812 hours remaining, 233.070312 MB of memory in use. ENERGY: 722200 3953.7844 20724.6771 14469.4758 237.8740 -203588.5572 2907.9137 0.0000 0.0000 52074.5179 -109220.3141 299.2730 -161294.8320 -108860.6264 299.1984 -10.4888 12.9159 762802.1298 22.0840 21.9621 PRESSURE: 722400 -80.8815 36.0148 24.6578 36.0137 -114.471 91.5905 24.6578 91.5909 -168.169 GPRESSURE: 722400 -72.9767 85.5724 97.5108 12.2277 -127.305 148.242 -5.44208 92.0115 -81.4548 PRESSAVG: 722400 21.2354 -10.8013 33.3831 -10.8012 -20.5904 -57.9413 33.383 -57.9413 22.5454 GPRESSAVG: 722400 19.5885 -11.3715 35.0521 -11.3523 -20.2145 -58.6086 32.1927 -59.3213 23.4376 TIMING: 722400 CPU: 2282.99, 0.00320793/step Wall: 2282.99, 0.00320793/step, 3.81173 hours remaining, 233.070312 MB of memory in use. ENERGY: 722400 3997.6354 20481.6295 14458.2621 225.2594 -202925.2198 2407.4810 0.0000 0.0000 52044.6217 -109310.3306 299.1012 -161354.9524 -108965.5605 299.0402 -121.1735 -93.9120 762722.5223 7.7301 7.6039 PRESSURE: 722600 -307.646 -146.895 8.61956 -146.896 99.4552 -419.354 8.6202 -419.354 -214.34 GPRESSURE: 722600 -242.299 -94.1628 0.66149 -135.607 131.824 -315.086 -29.0412 -312.918 -219.615 PRESSAVG: 722600 0.666831 -8.22742 7.63878 -8.22744 22.5811 -45.977 7.63878 -45.977 1.31373 GPRESSAVG: 722600 2.0822 -8.40309 6.56509 -8.1604 20.6802 -45.62 9.05082 -43.0424 1.41349 TIMING: 722600 CPU: 2283.63, 0.00320162/step Wall: 2283.63, 0.00320162/step, 3.80406 hours remaining, 233.070312 MB of memory in use. ENERGY: 722600 4036.5100 20635.5254 14430.2997 243.8875 -202684.4830 2336.3562 0.0000 0.0000 51763.0673 -109238.8368 297.4831 -161001.9041 -108880.6067 298.7064 -140.8437 -110.0301 763364.9783 8.1872 8.0586 PRESSURE: 722800 -40.5868 -41.2375 -41.9814 -41.2364 -249.169 432.215 -41.9815 432.216 67.9143 GPRESSURE: 722800 -56.2023 -57.6639 -30.244 -81.2877 -198.312 401.642 91.6556 276.214 101.463 PRESSAVG: 722800 -39.1534 1.99446 3.16875 1.99441 27.0332 -31.0924 3.16872 -31.0925 -2.38336 GPRESSAVG: 722800 -38.5762 2.70783 2.52216 2.42131 27.1995 -30.6581 4.48131 -31.567 -3.28363 TIMING: 722800 CPU: 2284.27, 0.00318241/step Wall: 2284.27, 0.00318241/step, 3.78106 hours remaining, 233.070312 MB of memory in use. ENERGY: 722800 3952.6327 20524.8627 14456.9657 238.9119 -202898.4930 2452.4789 0.0000 0.0000 51801.4691 -109471.1720 297.7038 -161272.6411 -109105.4407 298.3656 -73.9471 -51.0170 762802.6581 -4.8345 -4.8868 PRESSURE: 723000 393.234 -193.19 222.32 -193.191 81.4902 -14.8447 222.321 -14.8451 13.1893 GPRESSURE: 723000 337.821 -226.782 263.265 -371.815 209.607 -35.2314 121.186 -40.8513 15.9106 PRESSAVG: 723000 16.291 11.6678 -15.6784 11.6679 -16.7697 3.04054 -15.6784 3.04057 1.8471 GPRESSAVG: 723000 14.2623 13.4758 -15.7146 8.13932 -15.7292 2.61831 -17.4167 1.9065 2.93938 TIMING: 723000 CPU: 2284.91, 0.00318389/step Wall: 2284.91, 0.00318389/step, 3.78264 hours remaining, 233.070312 MB of memory in use. ENERGY: 723000 3887.5634 20400.2403 14419.3880 249.8443 -203598.3773 2763.1008 0.0000 0.0000 52330.9829 -109547.2576 300.7469 -161878.2405 -109177.5786 298.8504 162.6378 187.7794 762568.4323 0.4561 0.4908 PRESSURE: 723200 -386.525 49.0449 63.5369 49.0441 8.47957 -105.074 63.5374 -105.073 -475.417 GPRESSURE: 723200 -323.286 99.3153 83.0564 -14.1992 -51.8623 -85.1196 -48.9222 -53.1711 -407.654 PRESSAVG: 723200 3.40462 -0.530218 -29.7508 -0.530256 -61.3074 0.601966 -29.7508 0.601981 34.2395 GPRESSAVG: 723200 3.39109 -4.14417 -28.8764 3.94808 -61.2037 1.20035 -30.3413 2.18693 34.2474 TIMING: 723200 CPU: 2285.54, 0.00316827/step Wall: 2285.54, 0.00316827/step, 3.7639 hours remaining, 233.070312 MB of memory in use. ENERGY: 723200 3985.4063 20586.6761 14424.9445 248.4733 -203337.5370 2651.7285 0.0000 0.0000 51887.4639 -109552.8443 298.1980 -161440.3082 -109204.7495 298.5892 -284.4875 -260.9340 763961.4168 -7.8878 -7.8551 PRESSURE: 723400 -210.359 54.6754 -54.2644 54.6748 -202.684 258.061 -54.2645 258.061 -104.576 GPRESSURE: 723400 -249.918 54.4753 -30.6721 169.585 -147.273 258.502 5.74904 293.368 -29.995 PRESSAVG: 723400 5.73572 -48.4781 -28.6234 -48.4781 6.67548 19.3739 -28.6234 19.3739 0.334502 GPRESSAVG: 723400 6.51619 -47.4171 -28.7014 -48.1955 6.55842 18.64 -28.2146 21.0134 -0.498049 TIMING: 723400 CPU: 2286.18, 0.00319196/step Wall: 2286.18, 0.00319196/step, 3.79188 hours remaining, 233.070312 MB of memory in use. ENERGY: 723400 3934.1247 20567.4849 14487.5090 237.8097 -203032.0472 2485.7145 0.0000 0.0000 52014.4439 -109304.9604 298.9277 -161319.4043 -108955.3247 298.9188 -172.5399 -142.3955 763673.2536 4.2486 4.1922 PRESSURE: 723600 -114.443 70.6983 37.6974 70.6983 -273.07 174.313 37.6979 174.315 181.312 GPRESSURE: 723600 -74.6021 102.968 28.1734 37.3062 -266.691 245.833 -12.8286 39.0583 213.256 PRESSAVG: 723600 14.8676 19.7506 3.43892 19.7506 9.1702 8.15956 3.43901 8.15959 2.43542 GPRESSAVG: 723600 13.7478 21.5741 3.36676 15.292 8.96847 8.56482 4.24014 4.57365 3.42904 TIMING: 723600 CPU: 2286.82, 0.0031773/step Wall: 2286.82, 0.0031773/step, 3.77428 hours remaining, 233.070312 MB of memory in use. ENERGY: 723600 3950.2263 20574.3189 14466.2445 241.9536 -203346.2333 2553.8667 0.0000 0.0000 52159.9582 -109399.6651 299.7640 -161559.6233 -109031.9630 299.2146 -68.7338 -42.6790 762587.3600 8.8244 8.7151 PRESSURE: 723800 -242.964 175.56 -195.516 175.56 -142.616 285.159 -195.517 285.158 -735.597 GPRESSURE: 723800 -195.563 127.164 -66.1885 167.036 -187.85 213.839 -337.658 213.607 -662.212 PRESSAVG: 723800 1.19594 -8.01445 -36.4489 -8.01446 23.124 2.25855 -36.449 2.25853 29.4708 GPRESSAVG: 723800 1.51789 -8.88642 -37.0292 -5.2937 22.9778 0.499433 -36.9757 2.28061 29.3898 TIMING: 723800 CPU: 2287.45, 0.00318583/step Wall: 2287.45, 0.00318583/step, 3.78424 hours remaining, 233.070312 MB of memory in use. ENERGY: 723800 3993.2368 20473.7730 14379.0358 244.3422 -202785.4692 2167.6980 0.0000 0.0000 52144.6985 -109382.6849 299.6763 -161527.3834 -109020.7576 299.0955 -373.7257 -348.5417 762371.1850 17.9302 17.9618 PRESSURE: 724000 202.169 45.514 -9.81409 45.5142 -326.091 126.102 -9.81409 126.101 -27.9514 GPRESSURE: 724000 202.434 75.1375 -68.7511 40.1072 -239.552 167.877 -87.8107 3.26423 -33.6145 PRESSAVG: 724000 0.816739 4.4757 -20.9512 4.47563 -35.5137 12.0075 -20.9512 12.0074 -11.0121 GPRESSAVG: 724000 0.965994 3.49284 -20.3064 4.85291 -33.7123 14.5127 -21.9014 12.7819 -12.4532 TIMING: 724000 CPU: 2288.09, 0.0031922/step Wall: 2288.09, 0.0031922/step, 3.79162 hours remaining, 233.070312 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: 724000 4092.1276 20502.9150 14452.7646 238.0380 -203426.3208 2688.6651 0.0000 0.0000 52149.1280 -109302.6826 299.7018 -161451.8106 -108944.8895 299.1935 -50.6245 -23.5775 762826.3868 -15.2364 -15.0665 PRESSURE: 724200 -61.0431 37.1133 -16.7371 37.1136 268.129 -174.337 -16.7384 -174.338 298.743 GPRESSURE: 724200 20.8882 54.3739 6.454 29.3277 264.731 -181.146 80.4107 -200.351 293.282 PRESSAVG: 724200 6.71087 29.9532 -31.8 29.9533 -23.0428 -22.6376 -31.8 -22.6376 -8.11988 GPRESSAVG: 724200 6.81897 30.6855 -32.064 28.7639 -24.6506 -22.3036 -29.9997 -23.6734 -7.04119 TIMING: 724200 CPU: 2288.72, 0.0031472/step Wall: 2288.72, 0.0031472/step, 3.738 hours remaining, 233.070312 MB of memory in use. ENERGY: 724200 3955.8500 20800.5176 14434.6191 254.7802 -203719.3685 3014.8452 0.0000 0.0000 52041.6541 -109217.1023 299.0841 -161258.7564 -108870.8287 299.2319 168.6097 192.9672 763303.6986 -8.1506 -8.2909 LDB: ============= START OF LOAD BALANCING ============== 2301.25 LDB: ============== END OF LOAD BALANCING =============== 2301.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2301.25 LDB: ============= START OF LOAD BALANCING ============== 2301.57 LDB: Largest compute 7058 load 0.033401 is 17.1% of average load 0.195233 LDB: Average compute 0.004425 is 2.3% of average load 0.195233 LDB: TIME 2301.57 LOAD: AVG 0.195233 MAX 0.213936 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 2301.57 LOAD: AVG 0.195233 MAX 0.213936 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.07 MB LDB: TIME 2301.57 LOAD: AVG 0.195233 MAX 0.213936 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.07 MB LDB: ============== END OF LOAD BALANCING =============== 2301.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2301.58 PRESSURE: 724400 7.20143 35.7436 -17.5696 35.7431 -203.054 129.315 -17.5703 129.315 -12.1677 GPRESSURE: 724400 17.2252 5.30409 -72.8321 124.39 -149.703 188.118 -108.962 98.9311 18.862 PRESSAVG: 724400 11.319 -26.7275 -24.7054 -26.7275 -8.32457 34.418 -24.7055 34.4181 13.7443 GPRESSAVG: 724400 11.5981 -27.3464 -26.4779 -27.8823 -8.29812 32.2436 -23.8619 34.0942 13.5367 TIMING: 724400 CPU: 2289.36, 0.00321117/step Wall: 2289.36, 0.00321117/step, 3.8138 hours remaining, 234.148438 MB of memory in use. ENERGY: 724400 3989.4187 20611.0389 14524.8003 252.4063 -203464.0116 3001.4328 0.0000 0.0000 52165.9455 -108918.9692 299.7984 -161084.9147 -108557.0221 299.5782 -69.3401 -37.8718 762783.2301 5.5796 5.6122 PRESSURE: 724600 168.625 4.28577 120.064 4.28599 -175.164 38.3138 120.063 38.3129 -177.093 GPRESSURE: 724600 135.54 43.6115 33.1935 8.55215 -63.8107 73.5552 232.849 51.8827 -171.913 PRESSAVG: 724600 45.804 37.0436 15.412 37.0437 -25.3631 31.8629 15.4121 31.8629 12.717 GPRESSAVG: 724600 45.5622 36.0957 15.7927 38.5145 -24.8185 31.8221 13.1405 36.5977 12.352 TIMING: 724600 CPU: 2290, 0.00316569/step Wall: 2290, 0.00316569/step, 3.7596 hours remaining, 234.218750 MB of memory in use. ENERGY: 724600 4049.5536 20523.6352 14432.1617 223.3119 -203074.3559 2579.3955 0.0000 0.0000 52175.0834 -109091.2147 299.8509 -161266.2981 -108739.5841 299.8749 -61.2107 -33.3948 761324.7733 11.0527 11.0319 PRESSURE: 724800 -28.8169 35.499 -1.70534 35.4988 72.9617 -14.9087 -1.7054 -14.9089 -56.4177 GPRESSURE: 724800 36.3326 -14.4774 4.78192 -18.6233 69.6635 -46.0196 56.6203 33.2163 -42.5306 PRESSAVG: 724800 39.2405 9.74954 -50.7706 9.74953 -27.1986 -15.8345 -50.7707 -15.8346 1.62329 GPRESSAVG: 724800 38.6355 9.63709 -51.4048 8.88723 -28.1469 -15.8787 -49.164 -19.5516 2.74703 TIMING: 724800 CPU: 2290.63, 0.00317008/step Wall: 2290.63, 0.00317008/step, 3.76464 hours remaining, 234.218750 MB of memory in use. ENERGY: 724800 3985.7378 20566.0384 14509.0083 242.6669 -203205.8109 2611.3132 0.0000 0.0000 52372.2905 -108918.7557 300.9843 -161291.0462 -108545.1667 300.3639 -4.0910 21.1552 761130.7997 4.5550 4.4119 PRESSURE: 725000 553.416 -155.222 -48.1263 -155.223 559.355 18.4469 -48.126 18.4463 274.251 GPRESSURE: 725000 597.137 -60.8403 -39.4972 -31.1268 658.537 98.8249 -2.36722 9.29475 212.506 PRESSAVG: 725000 -38.4222 -8.82637 0.629324 -8.82637 58.425 -7.95076 0.629306 -7.95084 10.733 GPRESSAVG: 725000 -39.0966 -7.99507 2.1277 -8.21077 59.3429 -6.78559 0.998514 -8.29078 10.5355 TIMING: 725000 CPU: 2291.26, 0.00317589/step Wall: 2291.26, 0.0031759/step, 3.77138 hours remaining, 234.218750 MB of memory in use. ENERGY: 725000 3959.1393 20462.5548 14481.2377 250.6113 -203503.9040 2969.1236 0.0000 0.0000 52449.3274 -108931.9099 301.4270 -161381.2372 -108570.4033 300.2308 462.3405 489.3934 761769.3610 10.2453 10.2606 PRESSURE: 725200 -122.569 190.503 -64.6554 190.503 -245.192 -361.492 -64.6556 -361.491 199.554 GPRESSURE: 725200 -149.32 248.812 -54.659 246.392 -165.442 -362.539 -46.1952 -323.337 236.516 PRESSAVG: 725200 -17.798 18.0447 15.9534 18.0447 39.124 -50.0947 15.9535 -50.0946 9.57124 GPRESSAVG: 725200 -18.1088 18.0266 17.847 19.058 40.0149 -51.9504 14.0039 -47.7783 9.12596 TIMING: 725200 CPU: 2291.89, 0.00314116/step Wall: 2291.89, 0.00314116/step, 3.72995 hours remaining, 234.218750 MB of memory in use. ENERGY: 725200 3928.0203 20566.0616 14520.9307 227.8570 -203497.0164 2883.7341 0.0000 0.0000 52325.2530 -109045.1598 300.7139 -161370.4128 -108676.4031 300.0840 -56.0689 -26.0820 761332.3391 10.2991 10.3440 PRESSURE: 725400 -37.0395 173.152 -80.8585 173.152 -49.9306 327.206 -80.8593 327.205 -58.4974 GPRESSURE: 725400 41.0671 118.548 -8.60919 119.983 -104.627 305.332 -48.089 264.844 5.96713 PRESSAVG: 725400 -18.0616 37.0884 29.2632 37.0885 38.6242 -28.8393 29.2631 -28.8394 -5.8082 GPRESSAVG: 725400 -17.1463 35.7702 29.3386 37.2847 36.9879 -27.8024 30.0697 -28.5959 -5.44314 TIMING: 725400 CPU: 2292.52, 0.00314632/step Wall: 2292.52, 0.00314632/step, 3.73591 hours remaining, 234.218750 MB of memory in use. ENERGY: 725400 3960.7013 20526.8202 14496.7836 245.4324 -202858.3439 2360.1829 0.0000 0.0000 52141.0670 -109127.3566 299.6554 -161268.4236 -108757.8936 299.5081 -48.4892 -19.1974 763668.6947 4.9181 4.7995 PRESSURE: 725600 12.8045 -36.3684 53.4723 -36.3696 94.087 75.4125 53.4711 75.4125 211.142 GPRESSURE: 725600 66.7658 -36.1772 45.1348 -42.6336 171.243 89.44 63.1911 75.5984 154.512 PRESSAVG: 725600 -10.1601 -30.8398 35.0887 -30.8399 14.9739 -24.5917 35.0887 -24.5917 1.91283 GPRESSAVG: 725600 -10.931 -29.6304 34.528 -32.8637 15.7333 -23.7516 36.6311 -25.479 2.53923 TIMING: 725600 CPU: 2293.15, 0.00315157/step Wall: 2293.15, 0.00315157/step, 3.74196 hours remaining, 234.218750 MB of memory in use. ENERGY: 725600 3939.0683 20597.2232 14461.0639 254.1269 -203144.7034 2710.0353 0.0000 0.0000 52123.8398 -109059.3461 299.5564 -161183.1859 -108693.0264 299.8640 106.0113 130.8402 761654.7683 2.2422 2.4472 PRESSURE: 725800 -381.553 48.4851 -142.193 48.4846 12.1828 44.7056 -142.193 44.7063 -304.254 GPRESSURE: 725800 -291.205 56.3137 -145.842 98.3151 83.9429 73.8838 -136.594 121.197 -374.455 PRESSAVG: 725800 -18.3044 -31.6866 -22.6895 -31.6866 48.1674 -4.92789 -22.6896 -4.9279 25.6292 GPRESSAVG: 725800 -17.7681 -32.0342 -22.6856 -29.6726 48.4348 -4.21254 -25.3803 -5.32892 24.8966 TIMING: 725800 CPU: 2293.79, 0.00317146/step Wall: 2293.79, 0.00317146/step, 3.7654 hours remaining, 234.218750 MB of memory in use. ENERGY: 725800 3967.6471 20533.0403 14478.3078 242.2084 -203071.6970 2577.2633 0.0000 0.0000 52420.2653 -108852.9648 301.2600 -161273.2301 -108492.4440 299.7318 -224.5415 -193.9058 761914.9688 18.4974 18.5211 PRESSURE: 726000 -491.937 -129.939 -125.84 -129.939 -495.015 -225.322 -125.841 -225.321 16.6023 GPRESSURE: 726000 -503.937 -147.875 -195.045 -134.411 -421.497 -229.137 -188.26 -4.12242 23.5678 PRESSAVG: 726000 -14.8776 0.138178 -4.23277 0.138217 12.6045 -12.0373 -4.23277 -12.0372 -7.62294 GPRESSAVG: 726000 -14.5921 -0.310752 -5.57871 1.60851 12.0995 -12.6837 -3.50658 -12.2898 -7.52408 TIMING: 726000 CPU: 2294.42, 0.00317472/step Wall: 2294.42, 0.00317472/step, 3.76909 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: 726000 4063.9551 20792.4787 14504.3349 266.3469 -202992.7449 2497.0719 0.0000 0.0000 52326.9650 -108541.5925 300.7238 -160868.5574 -108183.9042 300.7944 -323.4499 -300.6221 762917.2753 -3.2987 -3.3389 PRESSURE: 726200 -273.356 142.01 -77.4109 142.01 9.3705 -176.423 -77.4115 -176.423 -430.913 GPRESSURE: 726200 -215.911 192.686 -47.3383 192.286 -39.2007 -197.688 -61.6945 -127.18 -342.039 PRESSAVG: 726200 9.07508 -5.2121 -22.6454 -5.212 54.5427 -1.44887 -22.6453 -1.44887 15.3599 GPRESSAVG: 726200 9.65278 -5.50637 -22.6938 -7.37462 54.519 -0.554081 -20.8368 -2.16694 15.6824 TIMING: 726200 CPU: 2295.06, 0.00317739/step Wall: 2295.06, 0.00317739/step, 3.77209 hours remaining, 234.218750 MB of memory in use. ENERGY: 726200 4036.6956 20750.7697 14428.8992 260.1675 -202886.1776 2506.0014 0.0000 0.0000 52470.2375 -108433.4068 301.5472 -160903.6443 -108076.7173 301.0096 -231.6327 -199.0502 762106.5783 26.3259 26.6180 PRESSURE: 726400 -87.1589 103.033 34.6133 103.032 -354.54 -30.3415 34.6135 -30.3412 -243.841 GPRESSURE: 726400 -157.375 44.6105 114.645 73.4571 -236.096 -8.72571 -55.4618 -66.0228 -202.975 PRESSAVG: 726400 32.1678 25.7327 -36.3406 25.7327 -54.3868 -18.2311 -36.3406 -18.2311 -5.91517 GPRESSAVG: 726400 32.1846 25.4318 -32.2469 27.3057 -54.2591 -18.3586 -38.858 -16.6366 -5.75015 TIMING: 726400 CPU: 2295.69, 0.00316979/step Wall: 2295.69, 0.00316979/step, 3.7629 hours remaining, 234.218750 MB of memory in use. ENERGY: 726400 4080.9877 20610.0417 14509.4509 245.2098 -203263.3568 2864.4093 0.0000 0.0000 52391.9004 -108561.3569 301.0970 -160953.2574 -108201.7688 301.0678 -228.5133 -198.8153 762519.1374 -9.3781 -9.2749 PRESSURE: 726600 141.098 54.9185 -201.865 54.9186 318.151 89.6357 -201.864 89.6364 69.3222 GPRESSURE: 726600 150.539 -23.9253 -215.904 -11.331 388.889 51.1802 -16.6352 -75.8283 79.1125 PRESSAVG: 726600 -24.9703 -8.40361 -39.147 -8.40363 41.1662 -9.93789 -39.147 -9.93789 3.08775 GPRESSAVG: 726600 -25.4797 -6.80622 -40.5934 -9.88783 41.3938 -11.7848 -38.3788 -9.1088 3.52691 TIMING: 726600 CPU: 2296.32, 0.00316083/step Wall: 2296.32, 0.00316083/step, 3.75208 hours remaining, 234.218750 MB of memory in use. ENERGY: 726600 3943.5880 20581.0533 14513.1754 228.7150 -203013.8633 2712.1966 0.0000 0.0000 52357.6460 -108677.4891 300.9001 -161035.1350 -108312.0974 300.3359 176.1904 206.1803 762881.8699 6.4279 6.4803 PRESSURE: 726800 273.204 -33.378 71.1849 -33.3775 -83.8078 1.92226 71.1846 1.92198 304.78 GPRESSURE: 726800 322.405 35.7592 14.3702 41.4492 16.4791 31.8107 89.9205 135.261 232.615 PRESSAVG: 726800 -78.4426 36.7429 -15.9223 36.7429 55.6761 42.3934 -15.9224 42.3933 -22.8556 GPRESSAVG: 726800 -77.5169 38.1357 -16.6523 36.767 55.1375 44.3783 -15.0946 40.6692 -23.5664 TIMING: 726800 CPU: 2296.95, 0.0031544/step Wall: 2296.95, 0.0031544/step, 3.74428 hours remaining, 234.218750 MB of memory in use. ENERGY: 726800 3994.8585 20382.6635 14530.5904 246.9303 -203046.4418 2775.3096 0.0000 0.0000 52125.0021 -108991.0873 299.5631 -161116.0894 -108628.8288 299.8799 164.7255 190.4998 764270.6345 -15.2074 -15.3153 PRESSURE: 727000 -354.59 168.813 -229.098 168.813 -0.34026 -41.5354 -229.099 -41.5353 246.913 GPRESSURE: 727000 -290.995 206.89 -285.346 164.242 50.1701 -103.501 -112.197 -74.0301 209.052 PRESSAVG: 727000 -28.6113 -0.492939 5.34632 -0.492937 12.0134 40.7863 5.34633 40.7863 14.9881 GPRESSAVG: 727000 -28.6826 -2.06066 4.27585 -0.980953 11.9464 40.0261 5.19909 40.8305 14.9421 TIMING: 727000 CPU: 2297.58, 0.00314422/step Wall: 2297.58, 0.00314422/step, 3.73202 hours remaining, 234.218750 MB of memory in use. ENERGY: 727000 3981.9752 20579.1190 14527.1281 247.9786 -202860.9247 2601.1384 0.0000 0.0000 52091.8232 -108831.7622 299.3724 -160923.5854 -108477.8214 299.9175 -36.0057 -10.5913 764762.9904 -0.5366 -0.5980 PRESSURE: 727200 336.353 -144.277 -39.1663 -144.277 -85.7199 -230.766 -39.1667 -230.766 88.8663 GPRESSURE: 727200 316.641 -107.575 -76.0401 -181.857 -43.7996 -131.806 72.6958 -189.522 151.475 PRESSAVG: 727200 -51.7498 12.2891 -17.3191 12.289 82.2867 -19.8989 -17.3191 -19.8989 -13.6102 GPRESSAVG: 727200 -51.9557 12.0246 -15.8891 13.5075 82.5237 -19.4584 -18.6932 -21.1508 -13.3037 TIMING: 727200 CPU: 2298.21, 0.00315073/step Wall: 2298.21, 0.00315073/step, 3.73956 hours remaining, 234.218750 MB of memory in use. ENERGY: 727200 4006.2131 20514.8246 14513.8237 262.0964 -203092.4575 2579.7451 0.0000 0.0000 52240.1554 -108975.5991 300.2249 -161215.7545 -108607.4082 299.6999 113.1663 141.4387 764616.0412 5.6422 5.7548 PRESSURE: 727400 170.823 28.2833 274.11 28.2835 -143.378 196.269 274.111 196.269 201.203 GPRESSURE: 727400 218.678 -30.5698 219.271 45.4026 -103.533 160.038 376.666 90.1722 204.713 PRESSAVG: 727400 -10.0844 -62.5296 -42.6846 -62.5296 -44.0517 -38.1881 -42.6845 -38.1882 4.4395 GPRESSAVG: 727400 -11.0599 -64.1427 -43.298 -63.3209 -43.8921 -39.6622 -40.9692 -36.2026 4.94523 TIMING: 727400 CPU: 2298.84, 0.00314762/step Wall: 2298.84, 0.00314762/step, 3.7357 hours remaining, 234.218750 MB of memory in use. ENERGY: 727400 4018.0430 20610.6224 14532.2025 247.7057 -203055.3238 2495.8170 0.0000 0.0000 52241.0237 -108909.9094 300.2299 -161150.9330 -108558.0546 300.0105 76.2160 106.6194 763046.9371 -16.5655 -16.6689 PRESSURE: 727600 -214.908 -105.941 -141.657 -105.941 230.019 232.699 -141.656 232.698 -241.999 GPRESSURE: 727600 -174.038 -185.501 -206.259 5.11284 161.485 150.453 -137.545 215.293 -120 PRESSAVG: 727600 -17.7189 2.7659 5.65877 2.76592 61.9494 -10.8707 5.65882 -10.8707 4.06184 GPRESSAVG: 727600 -16.4955 3.12726 6.53332 1.98083 62.0584 -10.3502 4.07503 -12.5019 3.96361 TIMING: 727600 CPU: 2299.47, 0.00315364/step Wall: 2299.47, 0.00315364/step, 3.74267 hours remaining, 234.218750 MB of memory in use. ENERGY: 727600 3951.1655 20702.0405 14571.8662 266.2554 -202913.8709 2567.2714 0.0000 0.0000 51922.9111 -108932.3608 298.4017 -160855.2719 -108574.9769 299.9903 -75.6295 -44.1844 763114.8025 16.0974 16.5088 PRESSURE: 727800 383.311 -10.9634 -82.4464 -10.9641 -186.046 15.9666 -82.4465 15.9673 316.419 GPRESSURE: 727800 442.877 -138.188 -52.0016 -171.873 -72.0933 16.2429 -71.4328 114.921 226.879 PRESSAVG: 727800 32.062 -3.57157 -18.8815 -3.57156 -5.30031 -14.2279 -18.8815 -14.2279 15.2766 GPRESSAVG: 727800 31.5887 -4.3252 -19.1674 -3.27315 -4.29265 -14.2602 -16.8278 -12.8417 14.3683 TIMING: 727800 CPU: 2300.1, 0.00314676/step Wall: 2300.1, 0.00314676/step, 3.73433 hours remaining, 234.218750 MB of memory in use. ENERGY: 727800 3942.6488 20691.1485 14529.3653 247.3434 -203095.8364 2491.3012 0.0000 0.0000 51986.4410 -109207.5882 298.7668 -161194.0293 -108848.1808 299.4146 171.2282 199.2207 762423.7278 14.0128 13.8881 PRESSURE: 728000 -353.273 -116.287 68.3131 -116.286 -206.691 117.996 68.3119 117.996 -117.916 GPRESSURE: 728000 -350.695 -29.2721 86.5155 -15.8287 -148.608 113.343 138.829 107.159 -92.1312 PRESSAVG: 728000 -6.14857 -5.14119 24.5236 -5.14121 -5.82745 -27.5084 24.5236 -27.5084 -8.54756 GPRESSAVG: 728000 -6.09733 -4.1186 24.8504 -5.11995 -5.93809 -26.083 22.7128 -27.1892 -8.08484 TIMING: 728000 CPU: 2300.73, 0.00315334/step Wall: 2300.73, 0.00315334/step, 3.74197 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: 728000 4023.0310 20387.3801 14463.3350 263.4949 -203365.4718 2745.6572 0.0000 0.0000 52318.4696 -109164.1041 300.6750 -161482.5737 -108798.7286 299.5290 -225.9599 -197.1445 762549.8801 -6.8412 -6.7068 PRESSURE: 728200 266.434 -20.9673 170.887 -20.9675 93.3351 -57.8174 170.887 -57.8183 44.5425 GPRESSURE: 728200 328.409 45.0222 77.2984 123.761 86.0709 -189.844 163.769 73.0306 81.878 PRESSAVG: 728200 24.9799 15.0428 37.7168 15.0427 -15.9295 7.7507 37.7168 7.75072 -12.399 GPRESSAVG: 728200 26.13 14.7238 39.154 16.1879 -15.2426 5.98791 39.2935 7.75136 -13.9769 TIMING: 728200 CPU: 2301.37, 0.00316107/step Wall: 2301.37, 0.00316107/step, 3.75096 hours remaining, 234.218750 MB of memory in use. ENERGY: 728200 4047.0918 20472.8856 14530.1644 266.2124 -203515.8566 2981.8193 0.0000 0.0000 52081.4861 -109136.1970 299.3130 -161217.6832 -108776.4286 299.3889 134.7704 165.4527 760951.5856 -1.1162 -1.0299 LDB: ============= START OF LOAD BALANCING ============== 2313.9 LDB: ============== END OF LOAD BALANCING =============== 2313.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2313.9 LDB: ============= START OF LOAD BALANCING ============== 2314.22 LDB: Largest compute 7060 load 0.031440 is 16.1% of average load 0.195258 LDB: Average compute 0.004424 is 2.3% of average load 0.195258 LDB: TIME 2314.22 LOAD: AVG 0.195258 MAX 0.212543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.207 MB LDB: TIME 2314.22 LOAD: AVG 0.195258 MAX 0.212543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.207 MB LDB: TIME 2314.22 LOAD: AVG 0.195258 MAX 0.212543 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.207 MB LDB: ============== END OF LOAD BALANCING =============== 2314.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2314.23 PRESSURE: 728400 -49.899 117.092 -33.5341 117.092 194.692 57.4594 -33.5332 57.4595 51.2864 GPRESSURE: 728400 -68.4128 59.4598 -3.64027 45.8362 252.129 -73.1372 61.1703 -70.2083 101.047 PRESSAVG: 728400 49.0059 18.7855 23.3321 18.7855 -16.9681 18.5523 23.3321 18.5524 -1.93149 GPRESSAVG: 728400 47.9675 18.7961 23.0913 18.001 -17.4272 19.681 21.4193 16.624 -0.88571 TIMING: 728400 CPU: 2302.01, 0.00323946/step Wall: 2302.01, 0.00323946/step, 3.8438 hours remaining, 233.949219 MB of memory in use. ENERGY: 728400 4017.0897 20489.1414 14564.7629 239.8314 -203414.4488 2783.1123 0.0000 0.0000 52205.2954 -109115.2157 300.0246 -161320.5111 -108750.2208 299.6044 65.3597 94.9210 760352.8520 10.0354 9.8849 PRESSURE: 728600 -163.878 213.677 -78.4893 213.677 -81.0507 -81.479 -78.4889 -81.4801 -93.9136 GPRESSURE: 728600 -107.239 296.962 -174.056 171.952 31.5111 -126.8 -79.8967 -47.388 -160.237 PRESSAVG: 728600 59.9019 61.9733 22.6712 61.9732 -21.2349 9.06606 22.6712 9.06614 -5.52035 GPRESSAVG: 728600 59.3813 63.3277 21.8901 60.0566 -20.6097 8.17255 22.6851 9.48083 -5.23517 TIMING: 728600 CPU: 2302.65, 0.00316541/step Wall: 2302.65, 0.00316541/step, 3.75576 hours remaining, 234.210938 MB of memory in use. ENERGY: 728600 4020.7591 20463.5551 14571.8991 245.0896 -203305.3255 2623.6160 0.0000 0.0000 52130.7305 -109249.6760 299.5960 -161380.4065 -108877.4454 299.6858 -112.9475 -78.6551 762035.8996 11.0489 11.1788 PRESSURE: 728800 -103.564 -49.2117 -222.477 -49.211 -85.9098 256.415 -222.477 256.415 -95.557 GPRESSURE: 728800 11.764 -46.7005 -172.654 -140.363 -15.4579 166.629 -310.243 160.489 -199.25 PRESSAVG: 728800 -25.1624 -5.01191 -7.43231 -5.01189 23.7879 -29.689 -7.43228 -29.689 -2.08733 GPRESSAVG: 728800 -24.6256 -4.62355 -8.16256 -3.35342 22.9511 -28.4351 -7.14199 -29.7846 -2.07563 TIMING: 728800 CPU: 2303.28, 0.00316594/step Wall: 2303.28, 0.00316594/step, 3.75621 hours remaining, 234.355469 MB of memory in use. ENERGY: 728800 4007.4173 20606.3260 14481.8941 220.5468 -202874.7614 2419.8144 0.0000 0.0000 52088.3903 -109050.3724 299.3527 -161138.7627 -108684.0334 299.6199 -95.0102 -67.6479 763578.0717 -1.1539 -1.2501 PRESSURE: 729000 -121.398 99.1248 -155.041 99.1255 255.018 284.047 -155.041 284.047 148.537 GPRESSURE: 729000 37.5452 55.2522 -155.702 98.6854 199.608 218.275 -285.012 340.736 88.3097 PRESSAVG: 729000 -43.7261 -36.7851 -59.0064 -36.7852 -7.30956 8.86619 -59.0065 8.86623 -0.0360308 GPRESSAVG: 729000 -44.1059 -38.5997 -59.6834 -37.1644 -5.96789 5.8626 -59.9123 9.39068 -1.14893 TIMING: 729000 CPU: 2303.91, 0.00316661/step Wall: 2303.91, 0.00316661/step, 3.75683 hours remaining, 234.355469 MB of memory in use. ENERGY: 729000 4047.5646 20432.1073 14488.6812 245.1309 -203241.6282 2830.2365 0.0000 0.0000 52071.0413 -109126.8665 299.2530 -161197.9078 -108769.5292 299.4007 94.0520 108.4875 763042.5811 -17.0239 -17.0742 PRESSURE: 729200 -178.634 120.505 -155.63 120.506 -31.0138 78.533 -155.63 78.5315 67.7612 GPRESSURE: 729200 -134.128 -10.8485 -173.47 66.4459 33.7934 123.585 9.75569 116.082 30.4079 PRESSAVG: 729200 -18.338 13.58 15.3668 13.58 -1.86802 32.9075 15.3669 32.9075 -10.2141 GPRESSAVG: 729200 -17.9426 13.6269 15.3209 14.4631 -3.20126 34.4301 17.2776 32.4347 -8.793 TIMING: 729200 CPU: 2304.55, 0.00317068/step Wall: 2304.55, 0.00317068/step, 3.76148 hours remaining, 234.355469 MB of memory in use. ENERGY: 729200 3924.7092 20588.8020 14508.6017 232.0253 -202900.2113 2538.4476 0.0000 0.0000 51694.2750 -109413.3504 297.0877 -161107.6254 -109048.9575 298.9425 -47.2954 -23.3088 764444.5316 -10.1400 -9.9790 PRESSURE: 729400 156.327 57.0554 -32.7709 57.055 -35.4818 -40.851 -32.7718 -40.8516 -411.213 GPRESSURE: 729400 202.157 33.4911 -79.1511 181.883 -75.9752 -54.8455 -53.0681 -51.0794 -341.023 PRESSAVG: 729400 50.6182 -24.8455 -14.8103 -24.8455 -36.9208 -11.995 -14.8104 -11.995 17.1327 GPRESSAVG: 729400 49.8086 -24.6095 -13.2651 -24.8092 -37.3885 -11.2053 -15.217 -11.5809 18.2699 TIMING: 729400 CPU: 2305.18, 0.00316544/step Wall: 2305.18, 0.00316544/step, 3.75509 hours remaining, 234.355469 MB of memory in use. ENERGY: 729400 3995.6625 20551.6757 14424.8908 225.9874 -203191.2011 2726.6075 0.0000 0.0000 52142.1492 -109124.2279 299.6616 -161266.3771 -108755.0167 299.2975 -96.7895 -71.6139 762743.4806 10.2767 10.2300 PRESSURE: 729600 347.825 38.7673 6.50599 38.766 267.969 -119.39 6.50682 -119.389 371.751 GPRESSURE: 729600 366.69 83.5293 -126.463 -2.56204 301.954 -27.5318 96.4133 -17.7946 404.033 PRESSAVG: 729600 20.1806 -0.382931 -24.9305 -0.38296 4.5244 -2.85324 -24.9304 -2.85318 4.55168 GPRESSAVG: 729600 20.5435 1.27405 -27.3898 -0.310585 5.78305 -2.43577 -25.5873 -1.89818 2.92546 TIMING: 729600 CPU: 2305.81, 0.00317039/step Wall: 2305.81, 0.00317039/step, 3.76078 hours remaining, 234.355469 MB of memory in use. ENERGY: 729600 3913.2256 20422.8869 14457.1393 246.7699 -203437.9927 3009.2797 0.0000 0.0000 52155.6359 -109233.0554 299.7392 -161388.6913 -108866.3886 299.1452 329.1818 357.5589 763389.7272 9.7522 9.7507 PRESSURE: 729800 -116.228 -77.7724 124.686 -77.7725 -9.51225 283.896 124.687 283.895 -8.95822 GPRESSURE: 729800 -62.1177 75.1264 135.432 -50.4157 -71.5207 114.3 31.6259 174.614 75.4692 PRESSAVG: 729800 -27.3395 -80.8774 -14.009 -80.8774 43.9832 -19.9237 -14.0089 -19.9236 -10.6784 GPRESSAVG: 729800 -27.268 -81.4324 -12.9631 -80.3493 43.0696 -20.7375 -13.9849 -19.899 -9.99338 TIMING: 729800 CPU: 2306.45, 0.0031683/step Wall: 2306.45, 0.0031683/step, 3.75813 hours remaining, 234.355469 MB of memory in use. ENERGY: 729800 3930.9505 20573.2051 14503.4426 255.6245 -203122.4849 2574.7702 0.0000 0.0000 52100.3068 -109184.1853 299.4212 -161284.4921 -108831.8155 299.0871 -44.8995 -19.3897 762958.0800 1.9884 1.9361 PRESSURE: 730000 92.5452 -111.185 -307.285 -111.185 191.931 -356.51 -307.285 -356.51 476.854 GPRESSURE: 730000 153.076 -85.9519 -360.369 9.11552 233.536 -348.998 -139.3 -418.571 468.457 PRESSAVG: 730000 -5.93836 5.44864 -30.4158 5.44872 -7.62081 -27.9372 -30.4158 -27.9372 -14.9474 GPRESSAVG: 730000 -5.86906 6.29647 -29.9272 5.21392 -7.82247 -27.9845 -29.5063 -29.7897 -14.3939 TIMING: 730000 CPU: 2307.08, 0.00315425/step Wall: 2307.08, 0.00315425/step, 3.74129 hours remaining, 234.355469 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: 730000 3910.1775 20715.5760 14459.5097 230.8255 -203409.2305 2719.9009 0.0000 0.0000 52020.5842 -109352.6566 298.9630 -161373.2408 -109003.3311 299.0734 253.7770 285.0230 761925.0581 -9.5022 -9.3618 PRESSURE: 730200 -69.6919 -47.8314 54.5775 -47.8326 10.3131 91.3338 54.5774 91.3338 369.581 GPRESSURE: 730200 42.9402 -14.6851 105.474 -81.1711 2.49819 92.0299 -17.7615 221.908 361.205 PRESSAVG: 730200 -12.3711 -5.04045 0.78744 -5.04045 10.0726 25.8774 0.787475 25.8776 -2.13621 GPRESSAVG: 730200 -12.778 -6.21352 1.84339 -6.46732 11.0077 26.2151 -0.289458 26.5795 -2.73082 TIMING: 730200 CPU: 2307.71, 0.00314299/step Wall: 2307.71, 0.00314299/step, 3.72776 hours remaining, 234.355469 MB of memory in use. ENERGY: 730200 3998.2630 20516.9712 14398.7068 251.1093 -203297.3434 2693.8269 0.0000 0.0000 52032.2323 -109406.2339 299.0300 -161438.4662 -109042.0100 299.1044 103.4007 135.5478 761977.9995 -1.4782 -1.5004 PRESSURE: 730400 265.079 -158.34 -73.9459 -158.34 288.272 129.576 -73.9455 129.575 168.135 GPRESSURE: 730400 209.962 -136.073 -42.6056 -23.9978 297.912 131.198 -154.471 226.85 279.931 PRESSAVG: 730400 0.692193 -12.858 27.7745 -12.858 11.165 -17.5381 27.7746 -17.5381 -1.37644 GPRESSAVG: 730400 1.30578 -10.6843 26.7856 -12.7107 9.17565 -18.2274 28.1692 -16.5668 -0.792121 TIMING: 730400 CPU: 2308.34, 0.0031666/step Wall: 2308.34, 0.0031666/step, 3.75559 hours remaining, 234.355469 MB of memory in use. ENERGY: 730400 3976.8510 20492.9986 14497.1690 226.8937 -203724.0626 3197.5941 0.0000 0.0000 51932.7024 -109399.8538 298.4580 -161332.5563 -109035.0051 298.7497 240.4953 262.6015 762024.6959 3.4936 3.2298 PRESSURE: 730600 -7.1688 -222.896 36.5194 -222.896 168.719 330.223 36.519 330.224 -57.0439 GPRESSURE: 730600 45.5076 -112.281 3.45972 -210.769 209.247 192.539 79.3526 242.474 -43.459 PRESSAVG: 730600 -17.4698 -28.3898 -21.2653 -28.3899 4.23572 12.1762 -21.2653 12.1762 -22.9689 GPRESSAVG: 730600 -17.1968 -28.795 -22.6458 -28.6175 3.97561 14.1632 -22.7123 10.5303 -22.6879 TIMING: 730600 CPU: 2308.97, 0.00316389/step Wall: 2308.97, 0.0031639/step, 3.7522 hours remaining, 234.390625 MB of memory in use. ENERGY: 730600 4018.5543 20524.4491 14497.8787 244.7868 -202845.5962 2382.8744 0.0000 0.0000 51792.4106 -109384.6422 297.6517 -161177.0527 -109027.3565 298.7853 34.8356 70.4320 761941.0809 -12.0677 -11.9697 PRESSURE: 730800 -103.291 24.6255 142.653 24.6252 -373.934 -355.148 142.653 -355.147 -71.3423 GPRESSURE: 730800 -119.137 79.0186 76.8964 75.6263 -294.683 -384.432 130.436 -182.961 -57.7058 PRESSAVG: 730800 -26.7194 -26.4139 9.98135 -26.4139 17.5107 -25.5809 9.98136 -25.581 -6.48854 GPRESSAVG: 730800 -28.1906 -29.409 11.0412 -24.3186 19.1763 -27.9107 11.6313 -24.3104 -6.71192 TIMING: 730800 CPU: 2309.6, 0.00313805/step Wall: 2309.6, 0.00313805/step, 3.72138 hours remaining, 234.390625 MB of memory in use. ENERGY: 730800 3924.0579 20482.1694 14512.5464 244.7827 -203080.2143 2454.7657 0.0000 0.0000 52048.2530 -109413.6393 299.1220 -161461.8923 -109042.2215 298.6587 -182.8557 -157.1753 765013.9642 -5.2324 -5.2421 PRESSURE: 731000 -132.603 -67.8325 -95.5685 -67.8317 -97.3342 -19.5509 -95.5692 -19.5517 47.0105 GPRESSURE: 731000 -121.879 -72.6213 -111.822 36.2432 -38.9697 18.6749 -60.6391 -2.07027 57.623 PRESSAVG: 731000 -63.1 -35.7375 16.5528 -35.7376 62.4616 -11.2009 16.5527 -11.2009 14.5906 GPRESSAVG: 731000 -61.9468 -34.4339 16.185 -35.3604 61.7391 -10.3874 14.796 -12.4257 14.3334 TIMING: 731000 CPU: 2310.23, 0.003152/step Wall: 2310.23, 0.003152/step, 3.73775 hours remaining, 234.390625 MB of memory in use. ENERGY: 731000 3993.7089 20607.9731 14455.6902 259.1500 -203490.1637 2749.7971 0.0000 0.0000 52277.5599 -109146.2845 300.4399 -161423.8444 -108786.9055 299.1446 -60.9757 -34.4085 763290.7199 4.6508 4.7086 PRESSURE: 731200 37.6911 229.31 -17.9747 229.31 -256.514 -93.53 -17.9755 -93.5296 -287.446 GPRESSURE: 731200 46.5132 263.292 77.8989 154.6 -215.135 -149.976 -161.126 -191.352 -250.262 PRESSAVG: 731200 73.1574 -13.1683 21.3521 -13.1683 -41.0538 -41.875 21.3521 -41.875 12.366 GPRESSAVG: 731200 71.8651 -12.7587 19.8613 -14.4382 -40.4635 -40.7241 23.0636 -42.7923 12.9948 TIMING: 731200 CPU: 2310.86, 0.00315988/step Wall: 2310.86, 0.00315988/step, 3.74691 hours remaining, 234.390625 MB of memory in use. ENERGY: 731200 4031.5688 20390.6034 14461.4499 241.0824 -202840.6942 2544.3525 0.0000 0.0000 51941.0587 -109230.5785 298.5060 -161171.6372 -108864.1030 299.2272 -168.7565 -139.6278 763531.0077 14.8232 14.7988 PRESSURE: 731400 -4.47204 -0.97838 -22.7619 -0.978613 -19.2694 35.3102 -22.7621 35.3098 98.8184 GPRESSURE: 731400 45.8521 22.6735 -44.7686 -21.132 26.4762 108.129 33.0854 5.65632 96.2328 PRESSAVG: 731400 20.9676 18.6367 -30.8017 18.6367 -17.643 -59.6579 -30.8017 -59.6579 -31.6827 GPRESSAVG: 731400 21.3571 20.2687 -28.9265 17.4253 -18.2351 -59.5457 -31.8361 -60.5504 -30.8677 TIMING: 731400 CPU: 2311.49, 0.00313246/step Wall: 2311.49, 0.00313246/step, 3.71422 hours remaining, 234.390625 MB of memory in use. ENERGY: 731400 3968.7354 20613.9735 14433.0059 243.2163 -203270.3223 2730.2698 0.0000 0.0000 52032.4575 -109248.6641 299.0312 -161281.1215 -108889.2352 298.7428 25.0256 56.1870 762665.8860 -9.4527 -9.2486 PRESSURE: 731600 1.66045 200.598 125.069 200.598 75.9052 -89.2761 125.069 -89.2764 -89.6052 GPRESSURE: 731600 3.3778 38.7921 46.1124 128.122 79.6952 -107.203 30.6118 -173.607 -17.1838 PRESSAVG: 731600 85.9986 -30.6923 9.45604 -30.6923 -32.7842 -17.5461 9.45603 -17.5461 -5.94914 GPRESSAVG: 731600 86.5004 -32.8204 8.2667 -28.3367 -31.7768 -16.5624 9.57696 -17.6537 -7.81834 TIMING: 731600 CPU: 2312.12, 0.00314317/step Wall: 2312.12, 0.00314317/step, 3.72675 hours remaining, 234.390625 MB of memory in use. ENERGY: 731600 3997.7897 20668.7774 14418.4775 252.7556 -203412.1324 2566.4675 0.0000 0.0000 52280.4782 -109227.3864 300.4566 -161507.8646 -108874.9632 299.8533 -4.0132 21.9631 760810.5982 15.7551 15.6351 PRESSURE: 731800 -439.617 -268.522 -11.64 -268.521 -278.08 -144.9 -11.6391 -144.9 171.524 GPRESSURE: 731800 -373.478 -228.112 -67.4072 -202.158 -217.348 -161.259 -110.799 -114.777 126.071 PRESSAVG: 731800 -9.84684 -10.2219 -41.8043 -10.2219 33.7514 -47.5031 -41.8042 -47.503 23.5572 GPRESSAVG: 731800 -9.54223 -9.92632 -42.3017 -10.2666 33.246 -48.811 -43.1938 -48.0663 23.4058 TIMING: 731800 CPU: 2312.75, 0.0031599/step Wall: 2312.75, 0.0031599/step, 3.74641 hours remaining, 234.390625 MB of memory in use. ENERGY: 731800 3971.8001 20524.0409 14464.5324 233.2502 -203303.8563 2589.2277 0.0000 0.0000 51919.9766 -109601.0283 298.3848 -161521.0050 -109234.3519 298.7720 -182.0574 -154.9182 763854.4505 15.8206 15.7032 PRESSURE: 732000 23.816 -87.4362 -115.554 -87.4355 -212.154 -55.7012 -115.553 -55.7017 72.6573 GPRESSURE: 732000 31.5968 -118.421 -54.0786 -94.7892 -157.416 38.7206 -144.365 -107.118 103.245 PRESSAVG: 732000 -36.7973 -0.668399 22.1103 -0.668314 33.734 -12.4627 22.1102 -12.4627 19.8223 GPRESSAVG: 732000 -36.7918 -1.70537 22.036 -0.445046 33.5038 -12.5938 22.3605 -8.6982 19.3268 TIMING: 732000 CPU: 2313.38, 0.00314117/step Wall: 2313.38, 0.00314117/step, 3.72404 hours remaining, 234.390625 MB of memory 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 3942.0897 20493.4936 14427.5911 251.1332 -203495.1579 2681.2426 0.0000 0.0000 52057.4699 -109642.1377 299.1750 -161699.6076 -109278.0111 298.6132 -38.5603 -7.5249 761698.4966 5.5864 5.3463 PRESSURE: 732200 -106.086 71.7471 150.23 71.7476 -2.18278 81.2886 150.23 81.2888 -256.519 GPRESSURE: 732200 -112.991 107.277 197.368 23.4755 47.5477 -18.6809 215.071 65.8293 -222.765 PRESSAVG: 732200 2.4898 0.771454 2.42511 0.771436 37.6937 -5.90963 2.42514 -5.90958 -11.8097 GPRESSAVG: 732200 1.25771 2.29335 4.373 -0.812192 38.4832 -4.26767 4.02837 -8.79657 -11.1877 TIMING: 732200 CPU: 2314.01, 0.00314419/step Wall: 2314.01, 0.00314419/step, 3.72744 hours remaining, 234.390625 MB of memory in use. ENERGY: 732200 4023.5729 20421.6427 14528.4786 241.8875 -203211.0194 2620.9092 0.0000 0.0000 51830.2616 -109544.2668 297.8692 -161374.5284 -109186.6246 298.1468 -121.5959 -96.0695 761748.4030 9.4579 9.5178 LDB: ============= START OF LOAD BALANCING ============== 2326.54 LDB: ============== END OF LOAD BALANCING =============== 2326.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2326.54 LDB: ============= START OF LOAD BALANCING ============== 2326.86 LDB: Largest compute 7060 load 0.032184 is 16.5% of average load 0.195185 LDB: Average compute 0.004419 is 2.3% of average load 0.195185 LDB: TIME 2326.86 LOAD: AVG 0.195185 MAX 0.212372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 2326.86 LOAD: AVG 0.195185 MAX 0.212372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 2326.86 LOAD: AVG 0.195185 MAX 0.212372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 2326.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2326.87 PRESSURE: 732400 -214.955 59.6455 10.4341 59.6455 -59.2765 89.0315 10.4345 89.0323 -69.1388 GPRESSURE: 732400 -144.424 114.231 18.8118 46.2893 -59.6772 95.6208 -42.4775 241.073 -56.7131 PRESSAVG: 732400 -95.6118 13.0127 -23.232 13.0127 36.4138 32.7869 -23.232 32.7869 -17.0583 GPRESSAVG: 732400 -94.6644 13.5164 -23.3843 13.2016 34.7476 33.3843 -25.2545 32.8748 -16.0973 TIMING: 732400 CPU: 2314.65, 0.00320897/step Wall: 2314.65, 0.00320897/step, 3.80405 hours remaining, 233.164062 MB of memory in use. ENERGY: 732400 3972.0306 20573.8613 14495.6248 234.0861 -203727.3182 3028.1297 0.0000 0.0000 51921.1678 -109502.4179 298.3917 -161423.5857 -109141.3900 298.3166 -114.4566 -86.9382 762926.7793 -25.4188 -25.3380 PRESSURE: 732600 -78.4926 -97.4517 -3.78364 -97.4525 -86.535 412.274 -3.78349 412.275 11.1313 GPRESSURE: 732600 -81.5113 -23.541 -32.3209 -147.851 11.7182 397.648 -9.61086 336.108 25.8825 PRESSAVG: 732600 21.4994 2.38933 -53.9433 2.38933 12.0756 -4.57112 -53.9432 -4.57107 -10.6733 GPRESSAVG: 732600 20.7488 2.63771 -56.4786 -0.137205 12.4212 -6.69981 -52.7092 -1.37154 -10.3476 TIMING: 732600 CPU: 2315.28, 0.00315154/step Wall: 2315.28, 0.00315154/step, 3.7358 hours remaining, 233.367188 MB of memory in use. ENERGY: 732600 3858.5094 20470.6163 14421.3724 261.1706 -203572.2587 2772.8888 0.0000 0.0000 52088.4299 -109699.2713 299.3529 -161787.7012 -109323.6284 298.5636 -51.2988 -14.6369 762563.9384 7.6339 7.6075 PRESSURE: 732800 104.726 -34.9444 -92.2728 -34.9451 -131.378 -56.7713 -92.2726 -56.7727 -54.4994 GPRESSURE: 732800 127.282 40.3633 -20.249 102.425 -81.9493 -93.3446 62.3332 -14.9467 -28.7127 PRESSAVG: 732800 -14.2468 61.6127 -35.1286 61.6127 47.1986 -35.524 -35.1286 -35.5241 -2.32634 GPRESSAVG: 732800 -13.1033 61.3886 -33.0489 64.1058 47.2096 -33.4978 -35.2388 -37.5549 -3.52545 TIMING: 732800 CPU: 2315.91, 0.00313389/step Wall: 2315.91, 0.00313389/step, 3.7147 hours remaining, 233.367188 MB of memory in use. ENERGY: 732800 3988.6876 20394.8932 14471.2174 247.6231 -203612.4123 2725.7619 0.0000 0.0000 51964.4613 -109819.7678 298.6405 -161784.2291 -109460.9862 298.4158 -27.0504 5.5400 760727.0108 10.2085 10.1936 PRESSURE: 733000 -21.3899 -78.3067 -16.4333 -78.307 38.7732 140.138 -16.4341 140.138 -305.783 GPRESSURE: 733000 -55.0294 -19.0634 86.9276 -116.484 104.367 131.079 -97.3253 170.968 -256.546 PRESSAVG: 733000 23.549 24.4525 4.93293 24.4524 -12.3805 -9.37732 4.9329 -9.37736 -18.1089 GPRESSAVG: 733000 22.5732 23.9232 4.77499 26.3279 -11.1348 -9.71313 7.51879 -7.354 -18.0138 TIMING: 733000 CPU: 2316.54, 0.00316263/step Wall: 2316.54, 0.00316263/step, 3.74859 hours remaining, 233.367188 MB of memory in use. ENERGY: 733000 3985.9319 20475.0783 14470.8378 245.1596 -203556.4738 2781.3708 0.0000 0.0000 52099.6296 -109498.4658 299.4173 -161598.0954 -109131.9967 298.7239 -96.1334 -69.0693 760496.3068 -2.3135 -2.1918 PRESSURE: 733200 -251.075 203.535 -65.9162 203.535 4.96 -142.551 -65.9162 -142.55 348.042 GPRESSURE: 733200 -206.442 169.893 -76.9306 257.03 71.1815 -62.0942 -134.088 -59.3051 326.386 PRESSAVG: 733200 -64.2102 55.3885 -41.2688 55.3885 30.4305 47.1439 -41.2688 47.144 -7.15945 GPRESSAVG: 733200 -64.5624 54.8163 -42.0132 53.978 30.174 46.5449 -43.1456 45.1266 -6.46561 TIMING: 733200 CPU: 2317.17, 0.00314041/step Wall: 2317.17, 0.00314041/step, 3.72209 hours remaining, 233.367188 MB of memory in use. ENERGY: 733200 4000.3810 20451.2038 14355.9600 246.8943 -203533.1738 2726.6962 0.0000 0.0000 52214.3263 -109537.7121 300.0765 -161752.0385 -109169.2637 298.9652 33.9755 63.7085 760561.9014 -13.6464 -13.6180 PRESSURE: 733400 188.4 86.6953 388.906 86.6952 177.984 434.757 388.905 434.757 -229.953 GPRESSURE: 733400 126.93 39.263 354.502 138.225 192.018 428.914 351.644 283.994 -128.326 PRESSAVG: 733400 12.0114 55.6567 61.8925 55.6568 43.6522 46.3195 61.8926 46.3195 16.3595 GPRESSAVG: 733400 13.8405 55.5804 62.4122 55.8233 43.9094 45.69 61.2843 46.6928 14.9294 TIMING: 733400 CPU: 2317.8, 0.00315049/step Wall: 2317.8, 0.00315049/step, 3.73386 hours remaining, 233.367188 MB of memory in use. ENERGY: 733400 3926.8077 20446.8841 14433.4375 245.8945 -203199.4048 2472.7208 0.0000 0.0000 52099.9743 -109573.6859 299.4193 -161673.6602 -109210.0195 298.6691 45.4768 63.5407 760552.9769 24.0077 24.2265 PRESSURE: 733600 92.8309 3.84901 154.37 3.84829 270.505 -21.5033 154.37 -21.5036 253.039 GPRESSURE: 733600 78.4661 12.6464 168.231 2.24932 335.685 -90.5216 182.581 -55.3716 289.017 PRESSAVG: 733600 57.8296 34.681 0.616004 34.681 -59.1471 71.4839 0.616042 71.484 -1.30289 GPRESSAVG: 733600 56.0464 34.7765 1.43934 34.4323 -58.9157 72.4802 0.671867 73.3443 0.243649 TIMING: 733600 CPU: 2318.43, 0.00314474/step Wall: 2318.43, 0.00314474/step, 3.72686 hours remaining, 233.367188 MB of memory in use. ENERGY: 733600 3936.7890 20392.6228 14461.7254 245.2512 -203481.2489 2820.0748 0.0000 0.0000 51999.4884 -109625.2972 298.8418 -161624.7856 -109263.0646 298.7823 205.4582 234.3894 761573.4118 -0.8735 -0.8752 PRESSURE: 733800 26.6169 -69.0593 112.93 -69.0604 -136.109 276.02 112.93 276.02 217.094 GPRESSURE: 733800 90.2063 -129.564 191.921 -31.1164 -91.0666 138.986 43.8392 328.881 196.381 PRESSAVG: 733800 -64.6462 -5.62738 21.7177 -5.62742 10.0643 45.4606 21.7177 45.4606 1.98359 GPRESSAVG: 733800 -62.7664 -5.73501 22.4789 -6.80797 9.75572 43.8953 22.889 44.3509 0.915724 TIMING: 733800 CPU: 2319.05, 0.00313/step Wall: 2319.05, 0.00313/step, 3.70922 hours remaining, 233.367188 MB of memory in use. ENERGY: 733800 3979.7677 20437.7999 14530.5569 243.4498 -203664.5411 2766.3833 0.0000 0.0000 52058.7656 -109647.8180 299.1824 -161706.5836 -109287.1428 298.3641 35.8674 65.1737 760690.1197 -17.5328 -17.3650 PRESSURE: 734000 61.0136 -10.0907 -59.8154 -10.091 -178.592 46.5644 -59.8153 46.565 3.36694 GPRESSURE: 734000 36.8905 -85.1352 -45.6186 -104.572 -145.287 44.7406 -2.71595 99.9346 51.9324 PRESSAVG: 734000 17.1167 12.5726 15.1573 12.5725 -40.1375 -4.42775 15.1573 -4.42763 -14.9827 GPRESSAVG: 734000 16.9593 12.3364 15.0407 12.773 -40.5645 -3.57081 15.0399 -3.47882 -14.5946 TIMING: 734000 CPU: 2319.68, 0.00314289/step Wall: 2319.68, 0.00314289/step, 3.72433 hours remaining, 233.367188 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: 734000 4017.8706 20450.5364 14448.4499 255.3187 -202973.0110 2327.4969 0.0000 0.0000 52073.2927 -109400.0458 299.2659 -161473.3385 -109030.7224 298.6938 -38.0704 -18.8212 761554.3302 -12.6679 -12.7333 PRESSURE: 734200 90.0197 55.6758 -218.091 55.6763 127.881 -114.007 -218.091 -114.006 480.107 GPRESSURE: 734200 66.5926 190.64 -234.615 128.188 201.199 -19.2161 -274.506 -202.785 523.464 PRESSAVG: 734200 2.98837 -43.0614 41.1845 -43.0614 -25.7778 20.463 41.1845 20.463 2.95787 GPRESSAVG: 734200 2.1059 -43.3666 40.7622 -40.8649 -24.8716 20.1336 40.7827 19.7346 3.07284 TIMING: 734200 CPU: 2320.31, 0.003165/step Wall: 2320.31, 0.003165/step, 3.75034 hours remaining, 233.367188 MB of memory in use. ENERGY: 734200 3882.2545 20576.2803 14433.0307 228.8989 -203618.7414 2679.1249 0.0000 0.0000 52353.3581 -109465.7939 300.8755 -161819.1520 -109112.1639 299.2471 232.6694 263.7520 761376.2915 -6.6105 -6.5643 PRESSURE: 734400 -2.29036 124.254 124.694 124.253 341.248 34.7503 124.694 34.752 41.1044 GPRESSURE: 734400 73.2099 131.944 51.1858 157.788 325.476 90.9241 132.666 54.8069 62.1301 PRESSAVG: 734400 -97.6101 8.83311 -28.8592 8.83314 111.745 19.7521 -28.8592 19.752 -6.57502 GPRESSAVG: 734400 -96.2504 10.9408 -28.8173 6.83252 110.499 19.3641 -28.3879 20.6611 -6.93569 TIMING: 734400 CPU: 2320.95, 0.00317204/step Wall: 2320.95, 0.00317204/step, 3.75852 hours remaining, 233.367188 MB of memory in use. ENERGY: 734400 4040.2408 20534.3145 14463.9754 254.7077 -203893.9923 2944.5893 0.0000 0.0000 52138.0149 -109518.1498 299.6379 -161656.1647 -109159.8480 299.4549 126.6873 153.6052 759708.6622 2.5198 2.4376 PRESSURE: 734600 -288.123 5.22872 83.2622 5.2284 108.557 109.222 83.2627 109.221 267.313 GPRESSURE: 734600 -261.813 57.1499 94.919 16.1341 174.285 115.582 161.285 -62.369 244.281 PRESSAVG: 734600 14.4314 -9.29617 34.4995 -9.29616 17.1747 4.63487 34.4995 4.63482 -2.00795 GPRESSAVG: 734600 13.8884 -8.59664 32.7257 -9.29525 17.4497 6.10639 36.5687 1.38693 -2.05333 TIMING: 734600 CPU: 2321.58, 0.00317047/step Wall: 2321.58, 0.00317047/step, 3.75647 hours remaining, 233.367188 MB of memory in use. ENERGY: 734600 4007.1098 20354.8868 14443.8795 244.1696 -203251.1555 2581.4171 0.0000 0.0000 52131.9923 -109487.7003 299.6033 -161619.6926 -109127.2048 299.0506 29.2489 52.2507 761499.1531 9.8661 9.7616 PRESSURE: 734800 607.491 -32.812 142.83 -32.8115 91.9869 -120.827 142.83 -120.828 402.167 GPRESSURE: 734800 579.732 -59.1578 97.2984 43.5619 240.168 -90.7679 82.8316 -133.005 356.95 PRESSAVG: 734800 -33.2849 -6.84358 6.01725 -6.84356 8.60632 3.11686 6.01721 3.11694 21.6838 GPRESSAVG: 734800 -32.9317 -6.51229 7.90592 -7.19677 7.69593 4.00434 1.60149 2.85703 22.4497 TIMING: 734800 CPU: 2322.22, 0.00316609/step Wall: 2322.22, 0.00316609/step, 3.75112 hours remaining, 233.367188 MB of memory in use. ENERGY: 734800 3978.4587 20543.2341 14392.3877 260.1616 -204016.9935 3139.9745 0.0000 0.0000 51929.3506 -109773.4262 298.4387 -161702.7769 -109417.2345 298.7407 367.2152 392.2835 760282.9062 -0.9983 -0.9287 PRESSURE: 735000 -6.56536 -138.669 -119.763 -138.669 97.2359 159.302 -119.763 159.302 103.335 GPRESSURE: 735000 -17.1187 -11.3255 -38.0331 -172.633 157.188 176.081 -6.18505 167.446 128.399 PRESSAVG: 735000 -39.2035 26.9763 20.1145 26.9763 81.367 14.3611 20.1145 14.3611 23.9398 GPRESSAVG: 735000 -39.4898 25.4903 21.5942 29.2184 82.268 12.6868 22.1182 17.2607 23.1619 TIMING: 735000 CPU: 2322.85, 0.00316278/step Wall: 2322.85, 0.00316278/step, 3.74702 hours remaining, 233.367188 MB of memory in use. ENERGY: 735000 4002.6266 20350.0519 14397.8367 263.3039 -203597.8870 2664.7326 0.0000 0.0000 51902.5410 -110016.7942 298.2846 -161919.3352 -109653.2442 298.2655 64.6685 89.4896 760488.6848 22.0344 21.9800 PRESSURE: 735200 -191.106 40.5051 27.1703 40.5055 -28.3317 96.2327 27.1704 96.2337 -101.688 GPRESSURE: 735200 -160.5 77.2296 128.639 48.8189 -34.1412 62.0713 52.3928 -8.462 -36.1769 PRESSAVG: 735200 -77.3668 17.2106 26.9921 17.2105 63.7561 41.8608 26.992 41.8608 -24.1237 GPRESSAVG: 735200 -77.8051 17.1229 25.2198 15.3087 64.829 42.1266 28.8698 39.017 -24.756 TIMING: 735200 CPU: 2323.48, 0.00315863/step Wall: 2323.48, 0.00315863/step, 3.74193 hours remaining, 233.367188 MB of memory in use. ENERGY: 735200 3934.3211 20603.5110 14370.3963 231.7008 -202996.5223 2274.2695 0.0000 0.0000 51776.9710 -109805.3527 297.5630 -161582.3237 -109443.0810 297.8582 -107.0418 -76.9393 761034.8961 -12.5781 -12.5774 PRESSURE: 735400 167.1 29.7346 -403.659 29.7345 443.636 33.0351 -403.659 33.035 139.284 GPRESSURE: 735400 204.923 -20.9752 -363.731 55.1797 426.803 -63.2728 -484.997 58.6363 204.347 PRESSAVG: 735400 -67.2895 -17.4244 -67.5321 -17.4245 19.7599 47.9567 -67.5322 47.9567 -7.42171 GPRESSAVG: 735400 -67.2527 -17.3229 -66.7444 -18.8097 18.5709 47.941 -67.6947 47.6883 -6.32167 TIMING: 735400 CPU: 2324.11, 0.00315156/step Wall: 2324.11, 0.00315156/step, 3.73337 hours remaining, 233.367188 MB of memory in use. ENERGY: 735400 3930.8766 20418.5908 14437.9727 230.6332 -203767.9684 2900.6489 0.0000 0.0000 52018.0761 -109831.1701 298.9486 -161849.2462 -109485.4074 298.1444 250.0064 278.6912 761482.7755 -18.3171 -18.3345 PRESSURE: 735600 -587.743 -46.1875 80.3578 -46.1861 -78.9816 108.716 80.358 108.716 -189.307 GPRESSURE: 735600 -618.199 35.2967 30.5858 -116.528 17.8638 210.501 28.1777 91.3962 -158.468 PRESSAVG: 735600 -74.8298 -17.3145 -8.53971 -17.3145 81.9339 4.31995 -8.53973 4.31998 -12.6794 GPRESSAVG: 735600 -74.1954 -16.3553 -9.70221 -16.1365 81.5275 4.91167 -9.11135 5.65088 -12.6246 TIMING: 735600 CPU: 2324.74, 0.00314466/step Wall: 2324.74, 0.00314466/step, 3.72502 hours remaining, 233.367188 MB of memory in use. ENERGY: 735600 4026.0951 20296.5460 14469.3157 243.6857 -202920.6822 2278.8329 0.0000 0.0000 51891.9299 -109714.2768 298.2236 -161606.2067 -109351.0442 298.5496 -285.3438 -252.9345 762006.7871 -1.8585 -1.7642 PRESSURE: 735800 -31.4365 169.465 239.284 169.464 217.695 2.02106 239.284 2.02112 -172.723 GPRESSURE: 735800 -83.1113 195.056 365.906 165.309 294.041 -36.3099 169.168 -64.803 -104.076 PRESSAVG: 735800 -60.3909 -0.76084 41.237 -0.760858 60.997 42.6406 41.2371 42.6407 -10.6769 GPRESSAVG: 735800 -60.7228 -2.31023 43.2551 0.118861 62.0211 42.166 40.6668 44.6111 -10.8178 TIMING: 735800 CPU: 2325.37, 0.00316357/step Wall: 2325.37, 0.00316357/step, 3.74724 hours remaining, 233.367188 MB of memory in use. ENERGY: 735800 3971.5594 20343.9245 14469.5954 240.5210 -203216.6442 2563.8857 0.0000 0.0000 51972.3738 -109654.7843 298.6859 -161627.1581 -109300.7650 298.1992 4.5117 35.6178 761044.0869 -3.3569 -3.1732 PRESSURE: 736000 108.024 -43.855 133.795 -43.8545 45.4597 46.5804 133.795 46.5791 159.53 GPRESSURE: 736000 24.4111 -224.892 76.0117 -35.938 154.182 72.0259 156.959 110.489 211.931 PRESSAVG: 736000 -29.1691 54.1357 -13.8655 54.1357 27.4417 30.2947 -13.8655 30.2947 6.6252 GPRESSAVG: 736000 -29.5702 53.6767 -14.0513 53.1461 26.8801 30.8485 -13.205 27.1941 7.71912 TIMING: 736000 CPU: 2326, 0.00316237/step Wall: 2326, 0.00316237/step, 3.74565 hours remaining, 233.367188 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: 736000 3917.7127 20530.5835 14391.3869 250.3532 -203041.8666 2549.8010 0.0000 0.0000 51636.7883 -109765.2410 296.7573 -161402.0293 -109410.9950 298.4634 104.3379 130.1750 762106.9445 1.6326 1.6763 PRESSURE: 736200 193.677 95.4853 244.412 95.4853 -20.3757 -114.752 244.413 -114.754 348.787 GPRESSURE: 736200 334.359 43.8835 286.827 55.7743 -52.6832 -61.8242 137.226 -126.98 320.764 PRESSAVG: 736200 4.87938 6.17093 30.6116 6.17091 52.7032 55.2468 30.6117 55.2469 14.9195 GPRESSAVG: 736200 5.07691 6.97864 32.423 6.16891 52.7306 54.7249 28.8007 55.1694 14.3163 TIMING: 736200 CPU: 2326.64, 0.00317513/step Wall: 2326.64, 0.00317513/step, 3.76059 hours remaining, 233.367188 MB of memory in use. ENERGY: 736200 3914.5911 20365.8453 14421.9034 226.6294 -203246.2703 2534.9948 0.0000 0.0000 51968.9448 -109813.3615 298.6662 -161782.3063 -109446.2546 297.4198 174.0294 200.8136 760793.3378 24.1674 24.0413 LDB: ============= START OF LOAD BALANCING ============== 2339.17 LDB: ============== END OF LOAD BALANCING =============== 2339.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2339.17 LDB: ============= START OF LOAD BALANCING ============== 2339.49 LDB: Largest compute 7058 load 0.030606 is 15.7% of average load 0.195347 LDB: Average compute 0.004415 is 2.3% of average load 0.195347 LDB: TIME 2339.49 LOAD: AVG 0.195347 MAX 0.213356 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.426 MB LDB: TIME 2339.49 LOAD: AVG 0.195347 MAX 0.213356 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.43 MB LDB: TIME 2339.49 LOAD: AVG 0.195347 MAX 0.213356 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.43 MB LDB: ============== END OF LOAD BALANCING =============== 2339.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2339.5 PRESSURE: 736400 19.7875 -66.1628 -34.9101 -66.1626 279.529 -212.224 -34.9104 -212.223 244.661 GPRESSURE: 736400 96.3311 -117.189 10.0834 26.0087 243.686 -273.089 -5.30633 -238.086 279.418 PRESSAVG: 736400 -78.974 -0.339602 -24.5284 -0.339558 68.5054 -1.94138 -24.5283 -1.94135 -7.80752 GPRESSAVG: 736400 -79.2405 0.893088 -26.3897 0.504172 68.7539 -1.37947 -20.8952 -3.40918 -7.81288 TIMING: 736400 CPU: 2327.28, 0.00322188/step Wall: 2327.28, 0.00322188/step, 3.81578 hours remaining, 233.437500 MB of memory in use. ENERGY: 736400 4011.9242 20374.6385 14431.9764 255.1679 -203488.5586 2639.1064 0.0000 0.0000 52073.8910 -109701.8542 299.2694 -161775.7452 -109347.3794 297.7549 181.3256 206.4783 761251.1589 -6.0920 -6.0998 PRESSURE: 736600 -43.3446 56.5648 -5.83498 56.5644 -258.557 52.3832 -5.8342 52.3828 -193.512 GPRESSURE: 736600 22.7675 58.8111 -1.74055 30.0983 -272.574 86.6316 -7.24678 162.442 -170.525 PRESSAVG: 736600 -24.0223 -32.523 -18.7403 -32.5231 39.6822 -26.9659 -18.7402 -26.9659 -11.141 GPRESSAVG: 736600 -24.57 -33.7913 -19.7078 -32.1968 38.8199 -28.0988 -19.3405 -25.3756 -10.0929 TIMING: 736600 CPU: 2327.92, 0.00316887/step Wall: 2327.92, 0.00316887/step, 3.75282 hours remaining, 233.640625 MB of memory in use. ENERGY: 736600 4047.5459 20505.0601 14389.9164 250.8932 -203460.3750 2620.3383 0.0000 0.0000 51885.7135 -109760.9076 298.1879 -161646.6211 -109401.3496 298.2144 -165.1376 -140.1106 762036.9863 1.5063 1.3857 PRESSURE: 736800 76.5323 -106.981 -101.403 -106.981 98.8958 35.2833 -101.403 35.2835 224.252 GPRESSURE: 736800 135.363 -73.1445 -121.646 -232.272 84.4069 18.6517 5.71692 -63.5383 260.504 PRESSAVG: 736800 -37.8392 -2.37481 -27.7008 -2.37483 16.7754 -0.487621 -27.7008 -0.487474 -10.3241 GPRESSAVG: 736800 -35.7833 -2.98182 -27.288 -2.9531 16.1705 1.04416 -28.982 1.25314 -11.523 TIMING: 736800 CPU: 2328.56, 0.00318753/step Wall: 2328.56, 0.00318753/step, 3.77475 hours remaining, 233.640625 MB of memory in use. ENERGY: 736800 3989.8549 20372.3359 14446.1297 244.6812 -203421.5632 2719.0192 0.0000 0.0000 52078.7046 -109570.8378 299.2970 -161649.5424 -109206.0957 298.2616 133.2268 160.0913 761172.3171 -10.4627 -10.3786 PRESSURE: 737000 432.188 -104.016 258.104 -104.016 222.43 36.7701 258.104 36.7703 69.2322 GPRESSURE: 737000 412.976 -18.8839 283.26 -65.309 261.185 -30.4784 80.1162 53.0184 121.767 PRESSAVG: 737000 -15.7829 -9.53061 40.1313 -9.53065 27.2148 -29.1124 40.1313 -29.1125 4.92188 GPRESSAVG: 737000 -17.3836 -10.2574 41.2524 -7.5574 27.8037 -29.0822 39.3422 -29.8555 5.9147 TIMING: 737000 CPU: 2329.19, 0.00317419/step Wall: 2329.19, 0.00317419/step, 3.75878 hours remaining, 233.640625 MB of memory in use. ENERGY: 737000 3922.7538 20429.2832 14496.1020 237.9047 -203484.4183 2833.3102 0.0000 0.0000 52049.1077 -109515.9567 299.1269 -161565.0644 -109155.9429 298.6626 241.2834 265.3092 760048.4035 5.4513 5.4449 PRESSURE: 737200 -220.029 42.8399 -79.2788 42.84 -269.524 -8.41097 -79.2791 -8.41117 398.858 GPRESSURE: 737200 -142.402 -47.6744 -150.438 39.2537 -225.312 123.848 -85.6752 -98.6248 346.209 PRESSAVG: 737200 43.7707 -7.11605 11.353 -7.11602 -50.6776 17.6557 11.353 17.6556 18.7046 GPRESSAVG: 737200 44.9223 -5.8466 9.53157 -10.438 -51.2601 17.2259 14.4735 16.8544 18.2504 TIMING: 737200 CPU: 2329.83, 0.00319106/step Wall: 2329.83, 0.00319106/step, 3.77857 hours remaining, 233.640625 MB of memory in use. ENERGY: 737200 3948.2211 20455.6831 14379.9426 248.9841 -203046.5876 2421.1601 0.0000 0.0000 52165.2054 -109427.3912 299.7942 -161592.5966 -109064.1326 299.0644 -30.2314 -7.1684 761350.5074 3.9325 3.9708 PRESSURE: 737400 32.8419 -19.9697 -99.9677 -19.9694 101.01 128.889 -99.9674 128.89 164.489 GPRESSURE: 737400 21.8394 27.8839 -88.9283 -3.85033 193.626 122.127 -39.708 213.898 175.13 PRESSAVG: 737400 56.5384 20.5781 24.6617 20.5782 -35.7289 41.4476 24.6617 41.4476 -2.87846 GPRESSAVG: 737400 55.7167 21.5946 25.6741 21.578 -35.6567 40.4237 22.5173 43.6508 -2.41347 TIMING: 737400 CPU: 2330.47, 0.00318611/step Wall: 2330.47, 0.00318611/step, 3.77253 hours remaining, 233.640625 MB of memory in use. ENERGY: 737400 4007.6565 20279.2352 14436.1771 242.7180 -203293.4639 2699.5250 0.0000 0.0000 52039.2408 -109588.9114 299.0702 -161628.1522 -109215.4080 298.8414 99.4469 130.1985 762751.7901 5.9770 5.8822 PRESSURE: 737600 -218.704 -41.0999 422.57 -41.0995 -82.7622 -225.898 422.571 -225.897 -167.963 GPRESSURE: 737600 -143.849 -1.1389 460.212 58.6773 -110.417 -154.036 322.223 -234.212 -146.029 PRESSAVG: 737600 -47.5566 50.7492 -8.64393 50.7491 21.9872 -16.687 -8.64395 -16.687 -17.0644 GPRESSAVG: 737600 -47.9 48.1294 -8.30222 52.8998 21.8905 -15.6347 -7.89734 -19.5933 -16.9684 TIMING: 737600 CPU: 2331.1, 0.00317747/step Wall: 2331.1, 0.00317747/step, 3.76213 hours remaining, 233.640625 MB of memory in use. ENERGY: 737600 4022.0266 20483.0270 14485.5372 238.1312 -203120.2754 2558.0770 0.0000 0.0000 51828.1353 -109505.3411 297.8570 -161333.4764 -109152.9394 298.4886 -156.4767 -133.4314 762550.1008 -14.2113 -14.3260 PRESSURE: 737800 -353.741 32.8776 -126.191 32.8773 55.6659 257.878 -126.191 257.878 350.572 GPRESSURE: 737800 -303.812 60.4318 -67.3014 56.0218 85.6724 83.9846 -173.24 216.784 367.219 PRESSAVG: 737800 7.76006 -9.23213 8.7045 -9.23208 -42.9004 -10.169 8.70457 -10.169 -1.62129 GPRESSAVG: 737800 8.73117 -9.23016 6.68648 -9.91275 -41.7122 -10.9368 8.55287 -6.93556 -2.9407 TIMING: 737800 CPU: 2331.74, 0.00318233/step Wall: 2331.74, 0.00318233/step, 3.7677 hours remaining, 233.640625 MB of memory in use. ENERGY: 737800 3987.4530 20296.0161 14449.6527 287.8699 -203099.5681 2648.7019 0.0000 0.0000 51980.4698 -109449.4048 298.7325 -161429.8746 -109089.7288 298.0700 17.4990 49.6932 761815.1236 -12.2539 -11.9739 PRESSURE: 738000 111.14 -33.4431 -273.271 -33.4428 -314.033 -89.9514 -273.271 -89.9515 162.41 GPRESSURE: 738000 97.6116 -18.3524 -248.34 -31.1967 -210.185 -36.605 -152.478 -124.687 165.11 PRESSAVG: 738000 -49.8019 27.4446 -46.7977 27.4447 50.5065 -31.7495 -46.7976 -31.7496 0.743489 GPRESSAVG: 738000 -50.5365 27.1607 -46.3776 27.4763 48.964 -32.4834 -48.682 -33.9108 2.86207 TIMING: 738000 CPU: 2332.37, 0.00316766/step Wall: 2332.37, 0.00316766/step, 3.75016 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: 738000 3968.1355 20270.9132 14505.1045 244.8765 -203149.4748 2603.7199 0.0000 0.0000 52057.2513 -109499.4738 299.1737 -161556.7251 -109130.8964 298.6920 -13.4944 17.5123 761395.2275 0.4827 0.4299 PRESSURE: 738200 -101.361 2.28998 -191.387 2.29062 407.107 -166.546 -191.387 -166.548 -261.507 GPRESSURE: 738200 -117.78 80.0489 -242.09 103.567 412.748 -161.494 -194.955 -52.6533 -169.232 PRESSAVG: 738200 -34.8781 -15.5962 -42.1043 -15.5963 -1.84211 -26.2072 -42.1043 -26.2071 9.72347 GPRESSAVG: 738200 -34.8603 -14.0659 -41.7004 -17.2471 -1.77757 -23.771 -39.5816 -25.6483 9.73084 TIMING: 738200 CPU: 2333, 0.00314668/step Wall: 2333, 0.00314668/step, 3.72514 hours remaining, 233.640625 MB of memory in use. ENERGY: 738200 3961.9843 20552.5637 14413.6710 243.6786 -203043.5368 2471.6697 0.0000 0.0000 51888.3984 -109511.5712 298.2033 -161399.9696 -109158.8960 298.4938 14.7460 41.9122 763155.3223 -8.9989 -8.9690 PRESSURE: 738400 85.033 -38.3587 100.713 -38.3599 38.8596 174.275 100.714 174.275 149.956 GPRESSURE: 738400 127.784 -30.283 78.4242 -57.1369 10.3938 152.591 12.7591 50.545 190.924 PRESSAVG: 738400 -55.4649 -18.7451 16.7133 -18.7451 48.3997 25.8194 16.7134 25.8194 -14.2498 GPRESSAVG: 738400 -56.6011 -19.7197 16.7154 -18.9585 51.0803 23.2408 14.349 28.3563 -15.4817 TIMING: 738400 CPU: 2333.63, 0.0031579/step Wall: 2333.63, 0.0031579/step, 3.73825 hours remaining, 233.640625 MB of memory in use. ENERGY: 738400 3899.8493 20379.7207 14470.1790 251.5497 -203634.3194 2859.8350 0.0000 0.0000 52057.3185 -109715.8671 299.1741 -161773.1856 -109356.5448 298.3587 91.2828 109.7005 761627.5678 -7.1050 -7.0008 PRESSURE: 738600 -50.0661 159.67 -142.647 159.67 102.563 -232.533 -142.647 -232.533 -232.401 GPRESSURE: 738600 -16.7852 221.208 -74.8336 96.6162 182.624 -225.117 -168.325 -206.904 -249.944 PRESSAVG: 738600 5.33665 28.8692 -39.7938 28.8692 24.9492 37.3323 -39.7938 37.3323 -11.2525 GPRESSAVG: 738600 7.01233 30.7144 -39.7747 29.805 23.5236 36.831 -38.5065 37.315 -11.3153 TIMING: 738600 CPU: 2334.26, 0.00315074/step Wall: 2334.26, 0.00315074/step, 3.7296 hours remaining, 233.640625 MB of memory in use. ENERGY: 738600 3958.6177 20277.9767 14415.6295 239.2838 -203180.5010 2452.2868 0.0000 0.0000 52043.3793 -109793.3271 299.0940 -161836.7064 -109430.1632 298.2287 -59.9680 -28.0350 762001.4822 6.3444 6.4069 PRESSURE: 738800 -340.428 4.76014 88.1981 4.76066 -271.072 -51.9968 88.1987 -51.9972 -42.7107 GPRESSURE: 738800 -332.356 11.1205 51.2586 92.9306 -143.525 9.40407 -11.6276 -70.7825 -105.978 PRESSAVG: 738800 0.247838 14.9199 34.9517 14.9199 -10.8832 20.681 34.9517 20.6811 -9.6073 GPRESSAVG: 738800 -0.415023 12.835 35.3321 14.8853 -10.6092 22.5752 34.7913 18.1234 -9.42395 TIMING: 738800 CPU: 2334.89, 0.00312981/step Wall: 2334.89, 0.00312981/step, 3.70465 hours remaining, 233.640625 MB of memory in use. ENERGY: 738800 3947.6371 20343.4289 14479.9386 254.9835 -203051.7279 2287.7242 0.0000 0.0000 52294.4524 -109443.5632 300.5369 -161738.0156 -109078.0494 298.8312 -218.0703 -193.9532 762220.2450 -6.7476 -6.8161 PRESSURE: 739000 -25.843 -24.0907 98.7376 -24.0908 -233.133 285.786 98.7374 285.786 189.37 GPRESSURE: 739000 -28.3708 -30.4826 50.9625 -22.1699 -211.799 290.714 41.4279 275.434 245.252 PRESSAVG: 739000 -0.454214 36.7812 -0.60587 36.7812 14.2125 -11.4451 -0.605874 -11.4451 25.0522 GPRESSAVG: 739000 -1.59115 38.9398 -1.67798 36.8454 14.8545 -11.9216 -0.95263 -10.0718 25.6236 TIMING: 739000 CPU: 2335.52, 0.00316426/step Wall: 2335.52, 0.00316426/step, 3.74525 hours remaining, 233.640625 MB of memory in use. ENERGY: 739000 4039.8769 20383.1954 14478.4139 250.7128 -203138.3701 2708.5789 0.0000 0.0000 51808.2446 -109469.3475 297.7427 -161277.5921 -109108.5769 299.4088 -23.2022 1.6941 761901.8223 12.9368 12.9623 PRESSURE: 739200 412.128 150.334 153.714 150.334 21.7527 2.3947 153.714 2.39512 -350.315 GPRESSURE: 739200 443.788 101.131 174.043 131.118 86.159 59.4183 210.25 -102.266 -348.905 PRESSAVG: 739200 40.5861 0.875191 -9.4596 0.875207 -12.9283 -0.930677 -9.45952 -0.930606 18.8621 GPRESSAVG: 739200 42.6203 0.310274 -11.2489 -0.221177 -12.8862 0.493958 -7.86364 -3.00242 17.4994 TIMING: 739200 CPU: 2336.15, 0.00315847/step Wall: 2336.15, 0.00315847/step, 3.73823 hours remaining, 233.640625 MB of memory in use. ENERGY: 739200 4012.0918 20565.1748 14502.9212 238.6648 -203421.9665 2601.1314 0.0000 0.0000 52189.5635 -109312.4191 299.9341 -161501.9826 -108958.1612 299.1192 27.8552 60.3473 759691.4474 15.5066 15.7445 PRESSURE: 739400 -29.0302 -28.965 -32.9115 -28.9655 -559.026 -22.3375 -32.9114 -22.3386 -122.499 GPRESSURE: 739400 22.6873 26.5339 -9.79502 102.378 -533.681 -52.5165 15.6694 -8.82765 -83.7462 PRESSAVG: 739400 53.0464 -10.9201 15.3122 -10.9201 -48.4609 26.6406 15.3122 26.6407 -8.46641 GPRESSAVG: 739400 51.564 -11.5397 18.4115 -9.73469 -48.7489 25.0421 14.4467 27.8148 -7.2176 TIMING: 739400 CPU: 2336.79, 0.00317243/step Wall: 2336.79, 0.00317243/step, 3.75457 hours remaining, 233.640625 MB of memory in use. ENERGY: 739400 4053.4581 20502.0511 14450.8975 245.9141 -203182.4405 2558.5085 0.0000 0.0000 52055.5870 -109316.0243 299.1642 -161371.6113 -108952.0115 299.4141 -236.8516 -198.2467 763044.0063 -1.2936 -1.4675 PRESSURE: 739600 -161.947 -111.626 177.165 -111.626 -143.587 220.625 177.164 220.625 153.941 GPRESSURE: 739600 -52.8817 -131.645 212.894 -47.1565 -144.441 77.483 60.7484 185.771 123.743 PRESSAVG: 739600 -44.0704 14.394 22.7291 14.394 -2.15388 40.9753 22.7291 40.9752 -17.9652 GPRESSAVG: 739600 -43.4989 13.8306 23.8003 16.7801 -2.95102 40.2175 21.8021 42.0312 -18.2001 TIMING: 739600 CPU: 2337.42, 0.00317353/step Wall: 2337.42, 0.00317353/step, 3.7557 hours remaining, 233.640625 MB of memory in use. ENERGY: 739600 4042.3750 20736.8987 14522.0371 230.2817 -203716.5084 2904.0016 0.0000 0.0000 52099.1757 -109181.7386 299.4147 -161280.9143 -108829.7540 299.7178 -50.5309 -24.5266 761142.2801 -21.3965 -21.5500 PRESSURE: 739800 -6.06671 59.2974 -3.16257 59.2988 204.592 -58.2173 -3.16231 -58.2173 -28.3638 GPRESSURE: 739800 66.5278 -16.367 -30.7284 74.3212 188.749 -83.5105 52.1821 92.8872 23.0005 PRESSAVG: 739800 40.6168 34.408 -3.21924 34.408 -36.7924 13.4912 -3.21922 13.4913 2.81139 GPRESSAVG: 739800 39.9069 36.7198 -1.05281 30.9196 -36.9484 14.2783 -5.79673 14.0266 3.56441 TIMING: 739800 CPU: 2338.06, 0.00316751/step Wall: 2338.06, 0.00316751/step, 3.7484 hours remaining, 233.640625 MB of memory in use. ENERGY: 739800 4055.7422 20575.3908 14470.0035 245.3950 -203538.0714 2655.8159 0.0000 0.0000 52318.1450 -109217.5789 300.6731 -161535.7239 -108846.9715 300.1484 56.7206 92.7592 760891.6835 2.2119 2.1743 PRESSURE: 740000 1.53558 -114.116 45.9965 -114.115 332.057 27.9805 45.9966 27.9793 555.808 GPRESSURE: 740000 106.307 -168.825 -0.847729 -194.929 380.093 99.2687 -15.5092 28.4897 470.855 PRESSAVG: 740000 53.0668 35.9059 -19.1008 35.9058 -1.59567 42.0899 -19.1008 42.0899 2.374 GPRESSAVG: 740000 53.4258 33.4479 -21.6066 37.6635 -2.24424 43.37 -16.1763 40.3519 2.54814 TIMING: 740000 CPU: 2338.69, 0.00317178/step Wall: 2338.69, 0.00317178/step, 3.75327 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: 740000 3986.9357 20567.7243 14569.3267 242.0077 -203546.1164 2745.9651 0.0000 0.0000 52170.2903 -109263.8665 299.8234 -161434.1569 -108907.0964 299.6662 296.4669 319.0848 759828.8168 17.9484 17.9099 PRESSURE: 740200 -105.623 -33.1989 -75.2901 -33.1982 95.6782 13.3391 -75.2896 13.3399 293.649 GPRESSURE: 740200 -45.1443 -179.72 -141.568 -69.8229 38.4277 28.36 -85.9701 -104.625 369.842 PRESSAVG: 740200 -24.6268 -36.2181 -47.5631 -36.2182 39.5777 14.0326 -47.5631 14.0326 10.4068 GPRESSAVG: 740200 -25.3375 -33.6245 -50.5135 -37.5662 40.7818 13.2452 -47.0205 12.1966 9.54087 TIMING: 740200 CPU: 2339.32, 0.00315573/step Wall: 2339.32, 0.00315573/step, 3.7341 hours remaining, 233.640625 MB of memory in use. ENERGY: 740200 4027.4574 20356.5121 14437.5240 228.9798 -203760.9769 3021.1288 0.0000 0.0000 52221.7062 -109467.6686 300.1189 -161689.3749 -109104.3419 299.1840 94.5681 121.0418 761342.3052 8.4526 8.3284 LDB: ============= START OF LOAD BALANCING ============== 2351.85 LDB: ============== END OF LOAD BALANCING =============== 2351.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2351.86 LDB: ============= START OF LOAD BALANCING ============== 2352.17 LDB: Largest compute 7060 load 0.032705 is 16.8% of average load 0.195250 LDB: Average compute 0.004402 is 2.3% of average load 0.195250 LDB: TIME 2352.18 LOAD: AVG 0.19525 MAX 0.213146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.406 MB LDB: TIME 2352.18 LOAD: AVG 0.19525 MAX 0.213146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: TIME 2352.18 LOAD: AVG 0.19525 MAX 0.213146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.609 MB LDB: ============== END OF LOAD BALANCING =============== 2352.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2352.18 PRESSURE: 740400 269.13 219.73 -213.711 219.731 36.5801 117.549 -213.711 117.549 82.5702 GPRESSURE: 740400 333.673 98.6876 -155.344 158.401 71.4752 234.833 -195.214 99.3879 73.9353 PRESSAVG: 740400 -15.8123 -16.8102 16.1722 -16.8102 -0.0982156 9.26455 16.1722 9.26449 11.5533 GPRESSAVG: 740400 -16.797 -20.4936 16.9765 -15.2829 -0.810815 10.1443 17.3989 9.27074 12.9653 TIMING: 740400 CPU: 2339.97, 0.00322656/step Wall: 2339.97, 0.00322656/step, 3.81774 hours remaining, 232.355469 MB of memory in use. ENERGY: 740400 4028.7331 20537.4617 14431.4725 251.1020 -203578.1827 2992.4321 0.0000 0.0000 51709.2047 -109627.7766 297.1735 -161336.9813 -109272.5560 298.8619 129.4267 159.6944 760069.6976 -1.4524 -1.5475 PRESSURE: 740600 -23.334 -4.82718 -105.716 -4.82751 -173.12 80.9255 -105.716 80.9256 66.2159 GPRESSURE: 740600 41.8043 -4.43942 -65.9367 -42.1693 -143.568 55.8561 -53.0758 103.652 66.5344 PRESSAVG: 740600 -19.3126 14.2624 -1.70672 14.2624 46.3204 59.2988 -1.7067 59.2989 -1.70927 GPRESSAVG: 740600 -17.6334 15.9118 -1.34045 12.7889 46.182 58.4107 -3.57787 61.904 -3.44088 TIMING: 740600 CPU: 2340.6, 0.003168/step Wall: 2340.6, 0.003168/step, 3.74828 hours remaining, 232.355469 MB of memory in use. ENERGY: 740600 4040.3145 20516.9228 14509.8034 246.4889 -203955.7187 2928.2360 0.0000 0.0000 52065.5407 -109648.4125 299.2214 -161713.9532 -109281.8210 298.7573 -43.4128 -11.7431 762372.8248 8.4328 8.3693 PRESSURE: 740800 -303.286 -42.4956 145.436 -42.4959 164.124 -54.8434 145.435 -54.8433 131.656 GPRESSURE: 740800 -258.408 12.4586 56.5286 52.7013 215.22 -44.3231 137.321 -48.1592 115.755 PRESSAVG: 740800 -62.435 23.9506 -25.7156 23.9507 66.0201 -3.48583 -25.7156 -3.48579 13.5194 GPRESSAVG: 740800 -62.4753 25.3029 -24.9708 24.4609 65.6003 -4.14075 -24.6399 -5.64748 13.8362 TIMING: 740800 CPU: 2341.23, 0.00317342/step Wall: 2341.23, 0.00317342/step, 3.7545 hours remaining, 232.355469 MB of memory in use. ENERGY: 740800 4106.2074 20579.1601 14504.0375 241.3908 -203844.7537 2781.8773 0.0000 0.0000 51947.4634 -109684.6173 298.5428 -161632.0807 -109332.3265 298.8354 -2.5017 24.1891 760535.7994 5.7015 5.6537 PRESSURE: 741000 -23.0702 -202.41 133.572 -202.41 -77.8788 -28.193 133.573 -28.1929 132.349 GPRESSURE: 741000 14.8295 -69.6669 108.431 -166.303 -53.338 -134.707 65.0438 -49.4734 145.467 PRESSAVG: 741000 -22.4841 -17.1121 -5.93935 -17.1122 29.7652 -9.47191 -5.93932 -9.4719 -2.92562 GPRESSAVG: 741000 -23.8151 -18.1615 -6.40614 -16.6271 30.3567 -9.05488 -3.58681 -9.97569 -2.27487 TIMING: 741000 CPU: 2341.86, 0.00314726/step Wall: 2341.86, 0.00314726/step, 3.72338 hours remaining, 232.355469 MB of memory in use. ENERGY: 741000 4032.8495 20492.9504 14525.7591 245.6760 -203642.0617 2812.5652 0.0000 0.0000 51825.5494 -109706.7122 297.8421 -161532.2616 -109340.7779 299.1462 10.4666 35.6528 761299.7385 1.4518 1.4222 PRESSURE: 741200 -296.274 -18.3454 -24.1968 -18.345 85.7819 -90.3406 -24.1968 -90.34 -339.962 GPRESSURE: 741200 -246.48 -64.6888 -6.10187 -119.557 91.0998 -1.1268 -117.895 -82.7717 -318.683 PRESSAVG: 741200 14.1425 -7.92755 -11.1196 -7.92759 32.2632 -51.8321 -11.1196 -51.8321 16.0134 GPRESSAVG: 741200 15.0253 -8.32252 -10.0687 -7.26395 31.2926 -51.5522 -16.1042 -51.1964 15.5732 TIMING: 741200 CPU: 2342.5, 0.00316388/step Wall: 2342.5, 0.00316388/step, 3.74287 hours remaining, 232.355469 MB of memory in use. ENERGY: 741200 4005.9620 20570.0483 14488.7291 254.9756 -203530.9018 2451.5520 0.0000 0.0000 51859.5766 -109900.0581 298.0377 -161759.6347 -109538.1201 298.5185 -183.4847 -158.0210 759102.2584 20.8064 20.6304 PRESSURE: 741400 226.958 194.607 -5.8989 194.607 83.3051 83.2419 -5.89912 83.2407 30.3389 GPRESSURE: 741400 211.16 318.27 16.7153 353.006 183.389 143.546 23.9507 98.6767 38.9534 PRESSAVG: 741400 -22.2407 55.1763 -24.1332 55.1763 22.6368 -12.1513 -24.1332 -12.1514 -5.85459 GPRESSAVG: 741400 -22.0515 54.4392 -23.8855 56.2048 22.6024 -11.571 -21.2985 -12.8291 -5.55351 TIMING: 741400 CPU: 2343.13, 0.00316364/step Wall: 2343.13, 0.00316364/step, 3.74241 hours remaining, 232.355469 MB of memory in use. ENERGY: 741400 3938.4355 20541.4622 14441.2454 245.4193 -203915.6411 2958.5335 0.0000 0.0000 51752.2197 -110038.3255 297.4207 -161790.5452 -109673.1211 297.6833 113.5342 144.5010 761269.2061 -1.8195 -1.6676 PRESSURE: 741600 192.146 21.9809 -166.674 21.9818 -7.80553 -47.8366 -166.675 -47.8366 -166.138 GPRESSURE: 741600 176.614 -44.656 -31.3187 -108.914 64.715 -75.8037 -206.22 -105.697 -147.95 PRESSAVG: 741600 -0.523834 38.3656 -20.9601 38.3656 5.11435 -56.237 -20.9602 -56.237 4.97623 GPRESSAVG: 741600 -0.137527 36.9338 -21.052 37.488 5.4708 -56.5776 -23.048 -55.9682 4.76608 TIMING: 741600 CPU: 2343.76, 0.00315026/step Wall: 2343.76, 0.00315026/step, 3.72641 hours remaining, 232.355469 MB of memory in use. ENERGY: 741600 3957.0553 20517.2675 14504.8369 256.9406 -203725.1623 2974.9426 0.0000 0.0000 51659.2673 -109854.8522 296.8865 -161514.1195 -109498.7771 297.9929 6.0675 31.1263 759853.3181 3.1889 3.3665 PRESSURE: 741800 -76.4238 104.484 -138.035 104.483 280.325 168.341 -138.035 168.341 124.836 GPRESSURE: 741800 32.5728 3.83254 -109.823 157.419 178.453 191.375 -64.5185 153.051 184.615 PRESSAVG: 741800 -38.2735 12.5683 -25.7733 12.5683 25.6037 -28.373 -25.7734 -28.373 -6.87919 GPRESSAVG: 741800 -39.2949 16.0827 -25.0545 9.99031 25.6488 -27.5026 -27.3015 -28.9706 -6.22574 TIMING: 741800 CPU: 2344.39, 0.0031501/step Wall: 2344.39, 0.0031501/step, 3.72604 hours remaining, 232.355469 MB of memory in use. ENERGY: 741800 3919.1764 20594.6209 14563.6140 260.8494 -203923.2416 3061.0620 0.0000 0.0000 51816.3246 -109707.5943 297.7891 -161523.9189 -109347.7650 298.4161 109.5791 131.8802 761667.2134 -6.5163 -6.6239 PRESSURE: 742000 169.697 223.364 -120.809 223.364 84.822 -135.049 -120.809 -135.049 -50.2524 GPRESSURE: 742000 230.592 92.3445 -157.978 347.44 66.9031 -181.148 -127.577 -0.522643 -11.9193 PRESSAVG: 742000 16.6632 -40.1549 -32.5628 -40.1548 -30.1265 -5.42491 -32.5628 -5.42496 -12.7346 GPRESSAVG: 742000 16.3887 -42.1311 -34.58 -38.4472 -30.5474 -7.03689 -29.4235 -3.00175 -12.8085 TIMING: 742000 CPU: 2345.02, 0.00314937/step Wall: 2345.02, 0.00314937/step, 3.72501 hours remaining, 232.355469 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: 742000 3910.1102 20562.2483 14444.8300 244.8105 -203526.7037 2764.9114 0.0000 0.0000 51853.6896 -109746.1037 298.0039 -161599.7934 -109372.7989 298.1709 68.0889 95.1919 762826.1816 -8.7327 -8.9891 PRESSURE: 742200 -2.91 -58.7681 -120.25 -58.7679 -121.551 168.743 -120.251 168.743 -13.4443 GPRESSURE: 742200 60.6406 -79.2927 -96.8902 -17.2382 -91.0888 74.4641 3.658 185.684 -29.1504 PRESSAVG: 742200 -1.46905 -7.32515 -70.965 -7.32511 -15.2466 -0.925548 -70.9651 -0.925606 14.429 GPRESSAVG: 742200 -1.11794 -5.14787 -71.7373 -8.55974 -15.33 -0.723438 -69.4583 -2.19577 14.3187 TIMING: 742200 CPU: 2345.65, 0.00314366/step Wall: 2345.65, 0.00314366/step, 3.71808 hours remaining, 232.355469 MB of memory in use. ENERGY: 742200 4041.2054 20654.8804 14493.6854 252.0321 -203586.1581 2685.7476 0.0000 0.0000 51913.9557 -109544.6516 298.3502 -161458.6072 -109180.8441 298.4647 -45.9684 -19.8662 762642.1848 -0.7622 -0.7097 PRESSURE: 742400 -129.222 -31.1354 -28.7112 -31.1353 -129.886 -74.8956 -28.7121 -74.895 247.946 GPRESSURE: 742400 -76.8995 -63.9057 -69.7513 -26.1543 -99.623 -113.743 -124.707 -79.8011 218.171 PRESSAVG: 742400 -58.8216 -2.64221 -19.024 -2.64214 6.30127 35.6436 -19.024 35.6435 -1.36507 GPRESSAVG: 742400 -58.3482 -2.22191 -15.8682 -2.39002 5.98028 36.0767 -24.1726 36.2012 -1.14882 TIMING: 742400 CPU: 2346.28, 0.00316026/step Wall: 2346.28, 0.00316026/step, 3.73754 hours remaining, 232.355469 MB of memory in use. ENERGY: 742400 3961.8173 20651.2087 14518.4342 253.5342 -203390.2083 2773.5059 0.0000 0.0000 51644.1168 -109587.5912 296.7994 -161231.7080 -109227.3053 298.4884 -3.7208 13.8827 762996.8783 -17.9618 -17.8389 PRESSURE: 742600 -192.691 -87.0883 -76.1803 -87.0882 159.558 -176.557 -76.1799 -176.557 180.604 GPRESSURE: 742600 -152.344 -111.95 -118.057 -51.8674 196.625 -116.793 -91.672 -247.233 189.354 PRESSAVG: 742600 -3.75343 67.6766 -14.0386 67.6766 -17.4892 -17.2458 -14.0386 -17.2457 -15.4747 GPRESSAVG: 742600 -5.04447 67.4696 -15.4467 67.8798 -16.1656 -15.8816 -11.1707 -17.2408 -15.7372 TIMING: 742600 CPU: 2346.91, 0.00314903/step Wall: 2346.91, 0.00314903/step, 3.72408 hours remaining, 232.355469 MB of memory in use. ENERGY: 742600 3977.7446 20491.4169 14467.1711 237.2015 -203635.8818 3013.9490 0.0000 0.0000 51779.6326 -109668.7662 297.5783 -161448.3988 -109301.7753 298.4891 49.1568 77.8786 762496.6125 -12.2391 -12.3158 PRESSURE: 742800 -39.0536 -53.7671 11.7119 -53.7662 -247.195 -277.611 11.7122 -277.612 540.98 GPRESSURE: 742800 -22.6364 -24.4278 25.9562 -34.7062 -124.211 -267.478 34.0595 -272.108 484.837 PRESSAVG: 742800 18.957 74.45 -12.8729 74.4501 9.79652 -14.3842 -12.873 -14.3842 -12.3801 GPRESSAVG: 742800 20.0561 72.7654 -13.4479 75.3259 8.93658 -15.6476 -14.1831 -14.4577 -12.7911 TIMING: 742800 CPU: 2347.54, 0.00315058/step Wall: 2347.54, 0.00315058/step, 3.72573 hours remaining, 232.355469 MB of memory in use. ENERGY: 742800 4037.9500 20541.0593 14387.3303 259.9331 -203513.3264 2675.0849 0.0000 0.0000 51870.9995 -109740.9693 298.1033 -161611.9689 -109373.4975 298.3420 84.9105 112.6633 762487.8050 5.4578 5.4006 PRESSURE: 743000 -83.3028 132.628 -197.361 132.628 69.7627 -9.7517 -197.361 -9.75109 -161.464 GPRESSURE: 743000 -19.7398 111.292 -199.206 209.585 98.9436 -77.4759 -18.921 -89.4425 -187.402 PRESSAVG: 743000 5.69386 35.7839 -5.04018 35.7838 35.2118 4.40813 -5.04019 4.40812 3.99944 GPRESSAVG: 743000 6.31105 37.0237 -7.02211 36.7375 34.4712 4.46036 -3.45469 3.05358 4.1978 TIMING: 743000 CPU: 2348.17, 0.0031488/step Wall: 2348.17, 0.0031488/step, 3.72346 hours remaining, 232.355469 MB of memory in use. ENERGY: 743000 4011.4011 20641.2209 14459.2818 245.6942 -203834.1829 2697.0502 0.0000 0.0000 51850.8421 -109928.6925 297.9875 -161779.5346 -109557.6835 298.4060 -58.3347 -36.0662 760615.8748 14.9684 14.9934 PRESSURE: 743200 206.04 -57.9571 -323.263 -57.9579 135.13 115.387 -323.263 115.387 282.903 GPRESSURE: 743200 241.053 -43.8607 -319.096 44.9967 150.089 133.159 -250.87 36.7966 303.352 PRESSAVG: 743200 -10.5043 7.51034 -22.598 7.5103 -12.0931 3.45644 -22.598 3.45643 -24.4359 GPRESSAVG: 743200 -11.0223 7.9854 -20.3328 6.99938 -11.0162 4.86273 -24.1707 1.96146 -25.0058 TIMING: 743200 CPU: 2348.8, 0.00313282/step Wall: 2348.8, 0.00313282/step, 3.70438 hours remaining, 232.355469 MB of memory in use. ENERGY: 743200 4011.7012 20481.9874 14446.9151 243.1446 -203999.8241 2925.6195 0.0000 0.0000 52217.2340 -109673.2223 300.0932 -161890.4562 -109307.7702 298.0513 208.0245 231.4978 761582.6570 -15.6777 -15.6814 PRESSURE: 743400 -102.651 -130.103 212.109 -130.104 -468.404 -156.274 212.109 -156.274 -141.944 GPRESSURE: 743400 -181.328 -133.884 140.023 -34.0567 -330.582 -182.346 203.86 -128.009 -109.972 PRESSAVG: 743400 4.02384 -47.5155 -41.6274 -47.5154 -3.24172 23.7819 -41.6275 23.7819 8.9153 GPRESSAVG: 743400 4.14573 -48.0204 -43.078 -48.6482 -3.97334 23.0872 -40.046 25.138 9.35348 TIMING: 743400 CPU: 2349.42, 0.00313246/step Wall: 2349.42, 0.00313246/step, 3.70379 hours remaining, 232.355469 MB of memory in use. ENERGY: 743400 4047.2054 20448.7167 14485.9287 252.9792 -203827.0241 2946.2864 0.0000 0.0000 52006.1124 -109639.7952 298.8798 -161645.9076 -109274.6659 299.3104 -237.6665 -207.2942 764306.1705 3.2325 3.1753 PRESSURE: 743600 23.0505 -206.161 -113.806 -206.161 69.6856 -180.622 -113.806 -180.622 -198.137 GPRESSURE: 743600 89.3438 -102.525 -63.4166 -209.169 73.4606 -240.305 -87.6231 -126.755 -171.525 PRESSAVG: 743600 10.8225 8.02928 -73.6201 8.0293 -0.839065 -51.9921 -73.6201 -51.9922 16.5174 GPRESSAVG: 743600 9.8749 7.33511 -72.7861 7.66365 0.0762959 -53.6682 -74.027 -50.9407 16.3775 TIMING: 743600 CPU: 2350.05, 0.00315277/step Wall: 2350.05, 0.00315277/step, 3.72763 hours remaining, 232.355469 MB of memory in use. ENERGY: 743600 4060.9124 20598.9821 14502.7921 249.0980 -203440.3892 2727.2059 0.0000 0.0000 51729.1990 -109572.1997 297.2884 -161301.3988 -109212.1996 298.4314 -35.1337 -2.9067 761589.7121 8.8336 8.7762 PRESSURE: 743800 -155.246 -188.34 -106.641 -188.339 -70.5325 64.5156 -106.64 64.5151 76.3207 GPRESSURE: 743800 -90.8084 -70.5412 -161.013 -100.343 -15.9639 103.36 -65.1059 -22.5334 51.5897 PRESSAVG: 743800 12.9596 -20.7373 -7.19473 -20.7373 2.50929 30.6311 -7.19464 30.631 11.0055 GPRESSAVG: 743800 12.0278 -17.465 -6.00017 -20.8608 2.75027 32.2705 -8.92582 29.1644 11.4758 TIMING: 743800 CPU: 2350.68, 0.00314065/step Wall: 2350.68, 0.00314065/step, 3.71313 hours remaining, 232.355469 MB of memory in use. ENERGY: 743800 3971.7505 20445.9807 14501.0720 271.3070 -203648.5344 2886.8344 0.0000 0.0000 52098.7366 -109472.8532 299.4122 -161571.5898 -109122.8433 299.2073 -49.8192 -18.3942 762176.6045 8.8248 8.7513 PRESSURE: 744000 -131.205 8.31112 144.234 8.31051 177.928 -95.3428 144.233 -95.3432 -232.124 GPRESSURE: 744000 -26.4385 22.8458 152.075 -43.9772 138.097 -47.4904 52.9766 -104.367 -210.546 PRESSAVG: 744000 -4.3609 7.26358 -20.8695 7.2636 41.8896 6.84549 -20.8694 6.84534 6.17001 GPRESSAVG: 744000 -2.87385 5.0883 -23.1307 7.6407 40.085 5.62845 -18.3481 6.00145 6.61788 TIMING: 744000 CPU: 2351.31, 0.00315121/step Wall: 2351.31, 0.00315121/step, 3.72542 hours remaining, 232.355469 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: 744000 4049.4159 20618.7998 14424.5047 249.1986 -203176.6371 2543.8269 0.0000 0.0000 52096.3568 -109194.5343 299.3985 -161290.8911 -108826.9106 298.9225 -61.8005 -32.9625 761304.1589 14.5662 14.6097 PRESSURE: 744200 -106.342 -113.039 -136.084 -113.039 109.089 38.218 -136.084 38.2163 -239.211 GPRESSURE: 744200 -156.207 -173.29 -92.3282 -72.5456 222.405 40.0113 -170.347 -34.6107 -206.322 PRESSAVG: 744200 -10.7458 18.8407 -21.906 18.8406 -1.16382 34.4912 -21.9059 34.4912 15.1006 GPRESSAVG: 744200 -10.776 17.8942 -17.8647 19.7599 -0.213 35.8517 -24.6317 33.3928 14.3942 TIMING: 744200 CPU: 2351.94, 0.00314241/step Wall: 2351.94, 0.00314241/step, 3.71485 hours remaining, 232.355469 MB of memory in use. ENERGY: 744200 3958.8156 20605.3516 14503.9156 251.4846 -203096.2780 2743.9865 0.0000 0.0000 51962.1077 -109070.6165 298.6269 -161032.7241 -108714.5378 299.2415 -78.8215 -46.7080 762925.4534 1.0637 1.1351 LDB: ============= START OF LOAD BALANCING ============== 2364.47 LDB: ============== END OF LOAD BALANCING =============== 2364.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2364.48 LDB: ============= START OF LOAD BALANCING ============== 2364.79 LDB: Largest compute 7041 load 0.029070 is 14.9% of average load 0.195346 LDB: Average compute 0.004380 is 2.2% of average load 0.195346 LDB: TIME 2364.8 LOAD: AVG 0.195346 MAX 0.213045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 2364.8 LOAD: AVG 0.195346 MAX 0.213045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: TIME 2364.8 LOAD: AVG 0.195346 MAX 0.213045 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.867 MB LDB: ============== END OF LOAD BALANCING =============== 2364.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2364.8 PRESSURE: 744400 -54.6712 60.3941 385.784 60.3932 -397.51 40.994 385.784 40.9951 149.372 GPRESSURE: 744400 -64.2179 -12.5315 305.939 112.331 -339.344 185.246 264.371 -41.5605 179.005 PRESSAVG: 744400 33.6957 -36.8518 -38.3968 -36.8518 -38.8575 -23.1383 -38.3968 -23.1383 -0.0439752 GPRESSAVG: 744400 33.919 -36.0524 -39.9017 -37.7386 -38.6436 -25.3016 -38.4175 -22.3852 -0.409089 TIMING: 744400 CPU: 2352.59, 0.00323409/step Wall: 2352.59, 0.00323409/step, 3.82305 hours remaining, 233.636719 MB of memory in use. ENERGY: 744400 3898.5177 20497.9328 14493.2556 232.7287 -202727.5196 2371.6929 0.0000 0.0000 52154.7894 -109078.6025 299.7343 -161233.3919 -108702.1971 299.9057 -100.9366 -74.8526 762495.3736 -1.7353 -1.7112 PRESSURE: 744600 -119.15 -46.5921 -71.7931 -46.5929 -77.3246 133.784 -71.7931 133.783 -90.0801 GPRESSURE: 744600 -84.7314 107.892 -33.1851 -70.2856 -30.5593 120.76 -75.4162 95.3303 -96.1461 PRESSAVG: 744600 56.391 13.2389 -26.7253 13.2389 -10.4576 -21.8369 -26.7253 -21.8368 6.57905 GPRESSAVG: 744600 55.9541 13.0854 -25.5566 13.3762 -9.01629 -21.3256 -25.3488 -19.6293 5.53799 TIMING: 744600 CPU: 2353.22, 0.00316952/step Wall: 2353.22, 0.00316952/step, 3.74655 hours remaining, 233.964844 MB of memory in use. ENERGY: 744600 4042.5741 20365.7870 14516.4420 263.2936 -202589.0838 2470.5308 0.0000 0.0000 51709.9878 -109220.4684 297.1780 -160930.4562 -108862.0908 299.5651 -95.5183 -70.4789 763907.1022 17.5041 17.4919 PRESSURE: 744800 160.729 30.5203 -48.3839 30.52 -96.1853 50.4942 -48.3832 50.4944 110.914 GPRESSURE: 744800 178.645 -101.127 -49.4363 136.549 -13.3104 97.0879 -43.7277 -28.9017 116.285 PRESSAVG: 744800 -19.6143 62.9486 -39.2873 62.9486 -1.66936 -27.0183 -39.2873 -27.0184 -5.51871 GPRESSAVG: 744800 -19.6612 62.7732 -39.9634 63.7479 -2.48352 -25.9008 -40.3915 -26.7779 -4.73708 TIMING: 744800 CPU: 2353.85, 0.00316351/step Wall: 2353.85, 0.00316351/step, 3.73927 hours remaining, 234.035156 MB of memory in use. ENERGY: 744800 3933.1662 20367.2753 14498.3507 244.7541 -203126.6764 2985.6892 0.0000 0.0000 51853.5473 -109243.8937 298.0030 -161097.4410 -108880.0540 298.6066 58.4860 93.8731 764342.4409 -8.9341 -8.9606 PRESSURE: 745000 -232.268 -120.929 59.6673 -120.93 -457.522 -11.2816 59.6672 -11.2827 -141.624 GPRESSURE: 745000 -292.488 -134.628 47.061 -73.5962 -377.468 35.5286 153.165 -165.198 -102.876 PRESSAVG: 745000 -39.816 9.35051 8.59549 9.35049 31.5507 -53.1306 8.5955 -53.1306 1.82209 GPRESSAVG: 745000 -40.1829 9.41918 6.98447 7.29911 31.3486 -53.5769 10.8458 -54.342 2.67276 TIMING: 745000 CPU: 2354.48, 0.00311433/step Wall: 2354.48, 0.00311433/step, 3.68097 hours remaining, 234.035156 MB of memory in use. ENERGY: 745000 3965.5135 20507.0329 14535.3340 254.4963 -202948.3194 2357.3809 0.0000 0.0000 52065.3276 -109263.2342 299.2202 -161328.5617 -108909.7157 299.0953 -277.1382 -257.6106 763365.1361 -2.1477 -2.0538 PRESSURE: 745200 -237.597 196.577 20.959 196.578 45.5942 -222.795 20.9585 -222.795 299.996 GPRESSURE: 745200 -93.7325 197.271 49.0902 181.848 22.3264 -241.254 71.1995 -106.15 263.775 PRESSAVG: 745200 10.1555 4.15542 32.8467 4.15546 13.0275 -41.0651 32.8467 -41.0652 13.1835 GPRESSAVG: 745200 11.2099 4.17801 35.2275 3.61675 12.0755 -39.7475 31.4903 -40.7867 12.7996 TIMING: 745200 CPU: 2355.1, 0.00312701/step Wall: 2355.1, 0.00312702/step, 3.69579 hours remaining, 234.035156 MB of memory in use. ENERGY: 745200 3850.3348 20635.0675 14440.2915 237.5888 -203094.3784 2664.7900 0.0000 0.0000 52219.6933 -109046.6124 300.1073 -161266.3057 -108682.0986 299.3449 35.9978 64.1230 762768.8382 12.1222 12.0283 PRESSURE: 745400 125.844 82.4676 -35.9228 82.4669 -320.407 116.01 -35.9223 116.009 -122.666 GPRESSURE: 745400 127.13 172.398 -16.1529 67.4648 -277.09 112.74 -8.28639 131.776 -85.4135 PRESSAVG: 745400 53.4319 -4.11465 60.3028 -4.11459 -21.5982 -21.9452 60.3027 -21.9453 4.65142 GPRESSAVG: 745400 52.7884 -2.60851 61.4339 -1.40514 -20.1591 -22.2686 59.4247 -22.0026 4.46623 TIMING: 745400 CPU: 2355.73, 0.00314033/step Wall: 2355.73, 0.00314033/step, 3.71135 hours remaining, 234.035156 MB of memory in use. ENERGY: 745400 3962.9016 20457.6800 14444.7660 241.4468 -202952.9774 2443.2575 0.0000 0.0000 52290.3881 -109112.5376 300.5136 -161402.9257 -108747.5885 299.4751 -105.7431 -78.4578 761651.4510 12.1617 12.3652 PRESSURE: 745600 -134.932 -163.837 126.078 -163.836 -324.865 70.6122 126.078 70.6119 104.118 GPRESSURE: 745600 -117.596 -110.903 222.058 -87.7411 -321.518 113.407 100.893 19.5776 152.981 PRESSAVG: 745600 -17.8241 36.6533 40.5624 36.6533 16.5006 23.7021 40.5623 23.7021 18.5622 GPRESSAVG: 745600 -18.0958 36.4156 37.5159 35.8906 16.088 22.1557 41.8421 24.3319 18.3811 TIMING: 745600 CPU: 2356.36, 0.00313824/step Wall: 2356.36, 0.00313824/step, 3.70871 hours remaining, 234.035156 MB of memory in use. ENERGY: 745600 4021.0815 20603.0819 14496.7661 272.1062 -203453.2816 3080.7273 0.0000 0.0000 52002.4279 -108977.0908 298.8587 -160979.5187 -108621.3975 299.0774 -118.5600 -95.3777 763708.7814 5.7462 5.4578 PRESSURE: 745800 334.258 34.4107 -141.16 34.4107 19.4672 12.697 -141.16 12.6965 259.158 GPRESSURE: 745800 388.014 44.8654 -111.636 167.635 53.6584 -16.8822 -105.522 91.2479 240.255 PRESSAVG: 745800 -30.6154 51.3077 75.664 51.3077 29.3279 -12.4714 75.6639 -12.4715 8.93488 GPRESSAVG: 745800 -30.0649 50.8314 77.2655 51.3473 29.3895 -11.3925 73.7099 -14.7688 8.40708 TIMING: 745800 CPU: 2356.99, 0.00316149/step Wall: 2356.99, 0.00316149/step, 3.736 hours remaining, 234.035156 MB of memory in use. ENERGY: 745800 3982.7552 20495.6224 14480.8640 249.9330 -203404.7950 3016.3681 0.0000 0.0000 52272.7935 -108906.4587 300.4125 -161179.2522 -108539.6334 299.8869 204.2942 227.3092 762352.7567 2.5491 2.5772 PRESSURE: 746000 107.858 -13.9445 -132.609 -13.9449 -108.693 171.053 -132.609 171.054 -219.019 GPRESSURE: 746000 104.369 -50.6812 -51.4594 10.2636 -128.12 148.89 -176.568 283.228 -121.935 PRESSAVG: 746000 5.26873 48.083 -13.1202 48.083 -16.7595 25.5043 -13.1201 25.5043 1.11849 GPRESSAVG: 746000 5.22982 47.1003 -13.8475 48.7653 -17.6913 24.924 -8.99812 25.8188 1.63892 TIMING: 746000 CPU: 2357.62, 0.0031544/step Wall: 2357.62, 0.0031544/step, 3.72745 hours remaining, 234.035156 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: 746000 3981.9985 20508.2524 14543.3515 235.2650 -203018.6908 2628.7511 0.0000 0.0000 52167.7592 -108953.3131 299.8088 -161121.0723 -108590.9249 300.0050 -73.2847 -48.5622 762552.5456 -3.4574 -3.6075 PRESSURE: 746200 52.3689 -36.1949 94.591 -36.194 351.325 -87.6766 94.5912 -87.6769 228.615 GPRESSURE: 746200 81.1281 -90.988 126.926 -118.322 432.057 -34.8592 115.415 -135.883 201.121 PRESSAVG: 746200 5.37554 -12.4626 52.1769 -12.4627 2.79009 -9.05363 52.1769 -9.05372 -3.49507 GPRESSAVG: 746200 6.30934 -11.1218 52.567 -10.8333 3.86084 -10.2142 50.1662 -5.67188 -4.83815 TIMING: 746200 CPU: 2358.25, 0.00313217/step Wall: 2358.25, 0.00313217/step, 3.70101 hours remaining, 234.035156 MB of memory in use. ENERGY: 746200 4023.8333 20437.1533 14471.4141 248.7319 -202988.1290 2693.6326 0.0000 0.0000 52179.7368 -108933.6270 299.8777 -161113.3638 -108571.5334 299.4302 210.7698 238.1021 763072.4752 1.5569 1.7773 PRESSURE: 746400 -297.579 -5.64703 -109.32 -5.646 -63.5627 -146.041 -109.321 -146.041 -215.91 GPRESSURE: 746400 -237.751 86.4729 -158.382 18.2957 -59.6029 -86.2646 -83.7222 -219.371 -216.966 PRESSAVG: 746400 -12.9489 -11.3565 13.1314 -11.3565 37.7085 -49.3327 13.1314 -49.3327 -6.63358 GPRESSAVG: 746400 -13.3347 -10.9229 11.2977 -13.0785 37.5057 -49.0439 11.3995 -50.4922 -5.9806 TIMING: 746400 CPU: 2358.87, 0.00313493/step Wall: 2358.87, 0.00313494/step, 3.7041 hours remaining, 234.035156 MB of memory in use. ENERGY: 746400 4027.4287 20491.5189 14453.6649 257.8778 -202743.4757 2504.3558 0.0000 0.0000 52081.6360 -108926.9936 299.3139 -161008.6296 -108562.4038 299.8950 -192.3504 -171.4397 764345.2434 6.0420 6.0635 PRESSURE: 746600 -156.283 -325.092 -36.4678 -325.092 -113.929 44.8271 -36.4679 44.8273 -372.966 GPRESSURE: 746600 -103.024 -328.259 -61.4042 -272.132 -49.7422 -15.3984 -61.5441 161.294 -404.258 PRESSAVG: 746600 53.1457 34.5318 33.3896 34.5318 18.555 43.56 33.3896 43.56 3.8335 GPRESSAVG: 746600 52.8044 33.8316 35.0587 36.1793 18.3117 44.2563 38.7109 43.0437 4.23465 TIMING: 746600 CPU: 2359.5, 0.00313141/step Wall: 2359.5, 0.0031314/step, 3.69975 hours remaining, 234.035156 MB of memory in use. ENERGY: 746600 4021.9191 20521.3278 14515.6845 272.7953 -202894.7484 2467.9216 0.0000 0.0000 52222.1143 -108872.9857 300.1212 -161095.1000 -108524.5098 300.3706 -214.3926 -185.6748 761373.8826 25.1781 25.1169 PRESSURE: 746800 -222.788 255.612 254.109 255.611 162.988 -75.7792 254.11 -75.7794 -268.687 GPRESSURE: 746800 -154.365 202.88 201.198 93.492 108.037 -92.8448 204.542 -153.282 -196.284 PRESSAVG: 746800 -3.34886 16.8355 33.7921 16.8355 42.7284 -5.23172 33.7921 -5.23172 31.7523 GPRESSAVG: 746800 -4.19976 17.3189 34.1888 13.65 42.7844 -6.08396 27.813 -3.23864 32.5556 TIMING: 746800 CPU: 2360.13, 0.00314954/step Wall: 2360.13, 0.00314954/step, 3.721 hours remaining, 234.035156 MB of memory in use. ENERGY: 746800 4014.4887 20307.9076 14535.1186 261.8617 -203090.0609 2697.9842 0.0000 0.0000 52202.0540 -109070.6462 300.0059 -161272.7002 -108690.7027 300.1528 -109.4956 -80.8704 761860.7659 23.7106 23.7134 PRESSURE: 747000 -68.989 -2.34767 -90.237 -2.34655 195.372 81.7278 -90.2366 81.7278 312.517 GPRESSURE: 747000 -33.8847 86.7491 -164.148 -39.1561 205.978 93.9485 -125.108 112.085 344.608 PRESSAVG: 747000 2.44775 43.182 19.4259 43.182 40.638 20.1052 19.4259 20.1053 2.95943 GPRESSAVG: 747000 2.5432 43.5727 17.4862 44.0204 40.1204 20.7081 21.4603 19.4442 2.76574 TIMING: 747000 CPU: 2360.75, 0.00311773/step Wall: 2360.75, 0.00311773/step, 3.68326 hours remaining, 234.035156 MB of memory in use. ENERGY: 747000 4040.6892 20548.3169 14490.5398 234.9961 -203421.9769 2940.9956 0.0000 0.0000 52180.7799 -108985.6595 299.8837 -161166.4394 -108628.2793 299.4977 146.3000 172.2340 763137.1156 15.3484 15.1431 PRESSURE: 747200 -9.75896 464.797 -93.7396 464.797 120.627 152.937 -93.7402 152.938 -265.926 GPRESSURE: 747200 15.4172 506.748 28.3186 360.29 178.643 130.668 -119.612 83.4007 -260.518 PRESSAVG: 747200 -33.422 46.1528 -1.07043 46.1527 20.7743 9.11691 -1.07049 9.11688 4.15931 GPRESSAVG: 747200 -33.2661 44.5606 0.83446 47.9756 21.3825 8.52783 -0.705573 9.39051 3.57211 TIMING: 747200 CPU: 2361.38, 0.00313541/step Wall: 2361.38, 0.00313541/step, 3.70397 hours remaining, 234.035156 MB of memory in use. ENERGY: 747200 4018.0014 20555.2175 14472.5487 272.7132 -203248.4326 2653.4765 0.0000 0.0000 52127.6608 -109148.8144 299.5784 -161276.4753 -108780.3659 299.6875 -51.6858 -22.1524 764389.0144 -2.8295 -2.7705 PRESSURE: 747400 241.72 -86.475 38.2625 -86.475 175.935 -26.7733 38.2631 -26.7737 545.58 GPRESSURE: 747400 308.44 -116.902 92.7241 -35.6564 151.674 -64.6464 -53.8681 41.3268 593.888 PRESSAVG: 747400 -8.23751 -13.7162 43.3337 -13.7162 -4.18213 11.4503 43.3336 11.4503 7.5627 GPRESSAVG: 747400 -9.10837 -13.3759 42.8696 -14.1772 -3.72962 11.2016 42.7437 11.9769 8.19443 TIMING: 747400 CPU: 2362.01, 0.00314611/step Wall: 2362.01, 0.00314611/step, 3.71643 hours remaining, 234.035156 MB of memory in use. ENERGY: 747400 3953.0732 20441.3047 14446.7054 247.5051 -203530.6263 2842.2193 0.0000 0.0000 52311.2135 -109288.6051 300.6333 -161599.8186 -108922.2578 299.3314 321.0783 351.3340 763036.0007 -1.6190 -1.5479 PRESSURE: 747600 -252.377 55.7123 206.688 55.7116 -115.279 -107.253 206.689 -107.253 -274.487 GPRESSURE: 747600 -229.795 27.3845 160.108 -74.1334 -66.3365 -114.466 318.373 -185.423 -265.902 PRESSAVG: 747600 49.0137 21.6394 35.744 21.6393 3.84204 -41.1112 35.7441 -41.1112 7.87277 GPRESSAVG: 747600 50.0567 22.8208 35.1354 19.9905 4.11535 -40.6763 38.0054 -42.3264 6.94307 TIMING: 747600 CPU: 2362.64, 0.00315132/step Wall: 2362.64, 0.00315132/step, 3.72241 hours remaining, 234.035156 MB of memory in use. ENERGY: 747600 4034.9239 20458.8545 14453.8255 251.6064 -203221.9093 2685.9864 0.0000 0.0000 51909.6277 -109427.0847 298.3253 -161336.7125 -109053.6491 299.0477 -214.0478 -187.3443 762587.3157 20.2428 20.3717 PRESSURE: 747800 -107.493 30.1035 80.3544 30.1035 -198.638 -91.613 80.353 -91.6122 27.8269 GPRESSURE: 747800 -117.39 34.5728 70.4843 -51.8108 -79.2501 -63.6809 28.5196 -134.323 4.25637 PRESSAVG: 747800 22.774 9.89317 30.0133 9.89307 -39.1761 -78.3042 30.0132 -78.3042 -10.0333 GPRESSAVG: 747800 20.8569 8.77262 30.3089 9.26312 -39.364 -79.6276 29.0386 -79.1064 -8.32353 TIMING: 747800 CPU: 2363.27, 0.00312953/step Wall: 2363.27, 0.00312953/step, 3.6965 hours remaining, 234.035156 MB of memory in use. ENERGY: 747800 3936.4181 20316.6723 14490.4005 236.9703 -203463.6983 2752.0065 0.0000 0.0000 52158.5840 -109572.6465 299.7561 -161731.2305 -109199.4501 298.6797 -92.7681 -64.1280 762243.9696 -8.8118 -8.9436 PRESSURE: 748000 85.1157 -258.194 44.1503 -258.194 -28.7146 128.724 44.1497 128.724 -154.448 GPRESSURE: 748000 86.6316 -70.7229 33.4714 -166.355 -0.797757 57.0216 200.409 238.394 -99.9189 PRESSAVG: 748000 -18.7305 9.22129 30.8439 9.22138 37.5778 1.83934 30.8439 1.83939 11.4933 GPRESSAVG: 748000 -18.1127 12.6244 31.2373 9.191 37.1786 2.20338 31.8309 3.78108 11.103 TIMING: 748000 CPU: 2363.89, 0.00313398/step Wall: 2363.89, 0.00313398/step, 3.70158 hours remaining, 234.035156 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: 748000 3976.3054 20522.6057 14473.9866 239.2229 -203392.8347 2855.3630 0.0000 0.0000 51934.3143 -109391.0368 298.4672 -161325.3512 -109033.6372 298.9619 -32.6822 -4.6950 763923.2319 10.1135 10.0563 PRESSURE: 748200 -363.785 47.5352 116.809 47.5348 15.0792 130.748 116.808 130.747 -104.578 GPRESSURE: 748200 -254.781 130.832 137.56 131.333 21.9107 194.822 -11.8821 79.1284 -130.489 PRESSAVG: 748200 42.6038 73.4775 36.8639 73.4775 -19.5267 21.42 36.8639 21.4199 -2.93712 GPRESSAVG: 748200 43.4076 71.4468 37.6996 76.1162 -20.1112 21.324 34.17 22.1698 -3.26046 TIMING: 748200 CPU: 2364.52, 0.00314151/step Wall: 2364.52, 0.00314151/step, 3.7103 hours remaining, 234.035156 MB of memory in use. ENERGY: 748200 4011.5258 20451.3607 14328.0794 243.4858 -203138.1874 2476.5027 0.0000 0.0000 51971.8123 -109655.4206 298.6827 -161627.2329 -109289.2698 298.3704 -151.0945 -121.1197 763740.4955 6.7133 6.6786 LDB: ============= START OF LOAD BALANCING ============== 2377.05 LDB: ============== END OF LOAD BALANCING =============== 2377.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2377.05 LDB: ============= START OF LOAD BALANCING ============== 2377.37 LDB: Largest compute 7026 load 0.029020 is 14.9% of average load 0.195269 LDB: Average compute 0.004381 is 2.2% of average load 0.195269 LDB: TIME 2377.37 LOAD: AVG 0.195269 MAX 0.213667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 2377.37 LOAD: AVG 0.195269 MAX 0.213667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 2377.37 LOAD: AVG 0.195269 MAX 0.213667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 2377.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2377.38 PRESSURE: 748400 -344.69 -1.67121 -142.546 -1.67143 -261.805 34.6568 -142.546 34.6573 -8.55524 GPRESSURE: 748400 -337.244 -51.7283 -68.2052 143.926 -184.4 1.53944 -22.5988 32.0318 0.617354 PRESSAVG: 748400 -28.4522 59.0174 -34.3342 59.0174 18.6004 7.6778 -34.3341 7.67785 -12.8828 GPRESSAVG: 748400 -30.3611 57.1527 -34.6561 58.1585 19.6853 9.59584 -33.0106 5.32892 -12.5958 TIMING: 748400 CPU: 2365.16, 0.00320423/step Wall: 2365.16, 0.00320423/step, 3.78419 hours remaining, 233.125000 MB of memory in use. ENERGY: 748400 4119.1273 20522.1801 14425.5620 252.7665 -203337.8365 2492.0369 0.0000 0.0000 52022.9912 -109503.1725 298.9768 -161526.1636 -109134.0714 298.4702 -205.0168 -173.6753 761490.7354 -7.5782 -7.7572 PRESSURE: 748600 -255.775 -33.0178 -136.824 -33.0181 -94.3 -29.6792 -136.823 -29.6781 -336.896 GPRESSURE: 748600 -176.016 -114.222 -166.001 48.9833 -123.245 -65.9837 -29.9268 7.91241 -298.61 PRESSAVG: 748600 -23.2949 11.9612 23.4661 11.9612 46.0483 28.5488 23.4661 28.5488 0.556956 GPRESSAVG: 748600 -22.046 12.2792 23.1298 11.2369 45.1539 27.5336 26.4256 29.5446 -0.0950846 TIMING: 748600 CPU: 2365.79, 0.00314544/step Wall: 2365.79, 0.00314544/step, 3.71459 hours remaining, 233.125000 MB of memory in use. ENERGY: 748600 4011.4507 20703.1342 14482.8956 265.4418 -203374.1189 2520.2662 0.0000 0.0000 52071.1271 -109319.8034 299.2535 -161390.9305 -108965.3725 299.5158 -228.9901 -199.2903 762303.7039 7.7701 7.6709 PRESSURE: 748800 -27.9905 80.7494 116.673 80.7494 -159.095 -508.244 116.672 -508.243 114.348 GPRESSURE: 748800 8.76588 110.404 148.238 46.0978 -105.583 -504.171 55.5084 -418.172 126.573 PRESSAVG: 748800 -60.6333 -9.51453 -16.0054 -9.51445 29.9457 -23.5098 -16.0054 -23.5098 -1.72769 GPRESSAVG: 748800 -61.1281 -8.16828 -15.8941 -10.3324 29.7912 -24.7428 -19.0153 -21.6124 -0.861352 TIMING: 748800 CPU: 2366.42, 0.00314885/step Wall: 2366.42, 0.00314885/step, 3.71844 hours remaining, 233.125000 MB of memory in use. ENERGY: 748800 4062.9026 20595.5520 14422.6354 258.0647 -203275.4944 2650.1504 0.0000 0.0000 51929.2864 -109356.9028 298.4383 -161286.1892 -108996.5132 299.3703 -24.2457 9.9183 762692.3549 -10.8051 -10.7327 PRESSURE: 749000 -636.399 -247.438 -27.719 -247.439 -301.026 93.1353 -27.7182 93.1349 103.512 GPRESSURE: 749000 -502.192 -203.537 27.781 -165.12 -323.698 128.849 -22.4863 91.2271 64.2619 PRESSAVG: 749000 -50.5189 -18.9034 -36.6739 -18.9034 66.7039 -23.8662 -36.6739 -23.8662 22.805 GPRESSAVG: 749000 -50.2986 -19.6036 -37.3689 -16.3959 67.617 -23.3256 -35.8019 -24.4403 21.7236 TIMING: 749000 CPU: 2367.05, 0.00313794/step Wall: 2367.05, 0.00313794/step, 3.70539 hours remaining, 233.125000 MB of memory in use. ENERGY: 749000 3949.1510 20618.6602 14434.3939 256.4301 -203142.7428 2346.6265 0.0000 0.0000 52281.4257 -109256.0555 300.4621 -161537.4812 -108899.6795 299.6144 -277.9712 -253.8760 762975.1961 12.9967 13.0140 PRESSURE: 749200 -378.308 -154.644 273.475 -154.644 -190.705 54.9816 273.475 54.982 -65.2276 GPRESSURE: 749200 -450.63 -156.748 261.047 -100.854 -163.871 -47.9091 288.712 105.892 66.7905 PRESSAVG: 749200 -50.1195 -12.4041 18.5494 -12.404 29.3574 -34.7788 18.5494 -34.7787 -10.9031 GPRESSAVG: 749200 -49.5317 -13.1521 18.4317 -12.3883 28.7656 -35.1079 17.8051 -35.3435 -11.091 TIMING: 749200 CPU: 2367.68, 0.0031397/step Wall: 2367.68, 0.0031397/step, 3.70729 hours remaining, 233.125000 MB of memory in use. ENERGY: 749200 4059.4931 20512.2168 14597.0393 254.9537 -203054.8692 2331.7018 0.0000 0.0000 52180.6539 -109118.8106 299.8829 -161299.4645 -108752.3627 299.6185 -211.4136 -182.5703 763426.9730 -10.5551 -10.6190 PRESSURE: 749400 445.705 92.9059 86.5919 92.9053 -92.5654 -303.057 86.5922 -303.055 320.903 GPRESSURE: 749400 324.438 111.039 122.826 231.393 42.9288 -349.828 3.07432 -208.232 388.059 PRESSAVG: 749400 -3.4555 -1.16939 -3.29334 -1.16936 15.8347 28.121 -3.29333 28.1209 4.83963 GPRESSAVG: 749400 -4.89227 0.21217 -1.61598 -2.94272 15.5475 28.8695 -2.06683 27.326 6.5366 TIMING: 749400 CPU: 2368.31, 0.00314456/step Wall: 2368.31, 0.00314456/step, 3.71285 hours remaining, 233.125000 MB of memory in use. ENERGY: 749400 3984.0606 20618.4037 14492.4857 253.2632 -203111.5378 2700.7805 0.0000 0.0000 51978.0137 -109084.5303 298.7184 -161062.5440 -108720.9710 300.0069 224.6809 251.8087 762743.7999 5.7396 5.7306 PRESSURE: 749600 -63.2136 -89.698 31.8137 -89.699 -89.9225 -50.0499 31.8134 -50.0494 -219.4 GPRESSURE: 749600 56.1703 -10.9877 13.1924 -194.475 -99.7264 -57.2988 -12.2692 -36.3141 -240.101 PRESSAVG: 749600 -20.4613 12.1326 45.936 12.1325 28.0328 42.5387 45.936 42.5387 7.11958 GPRESSAVG: 749600 -20.5999 12.4373 43.9204 14.259 28.55 41.8653 44.7199 43.1742 6.33735 TIMING: 749600 CPU: 2368.94, 0.00315402/step Wall: 2368.94, 0.00315402/step, 3.72385 hours remaining, 233.125000 MB of memory in use. ENERGY: 749600 3910.3884 20727.9974 14465.0401 240.5025 -203100.6036 2460.2832 0.0000 0.0000 52119.3418 -109177.0502 299.5306 -161296.3920 -108817.6911 299.8942 -124.1789 -94.5525 761135.6318 4.8970 4.7625 PRESSURE: 749800 -268.887 -174.461 150.45 -174.461 125.996 182.928 150.45 182.927 -178.719 GPRESSURE: 749800 -223.87 -180.665 209.155 -143.99 110.957 211.147 237.415 105.04 -118.86 PRESSAVG: 749800 -24.6543 -9.27786 5.11343 -9.27791 -7.00076 20.5585 5.11343 20.5585 13.414 GPRESSAVG: 749800 -24.3087 -9.87921 5.6957 -12.3761 -6.525 20.3673 7.11544 21.3232 12.7007 TIMING: 749800 CPU: 2369.57, 0.00314383/step Wall: 2369.57, 0.00314383/step, 3.71164 hours remaining, 233.125000 MB of memory in use. ENERGY: 749800 4016.5099 20450.5173 14383.5493 260.5552 -203340.7074 2805.6502 0.0000 0.0000 52283.4696 -109140.4559 300.4738 -161423.9254 -108769.5378 299.1722 -107.2033 -77.2574 763103.7018 -6.0804 -6.0443 PRESSURE: 750000 41.0133 -92.7093 -23.6231 -92.7095 91.2059 167.53 -23.6234 167.529 -48.5379 GPRESSURE: 750000 83.7227 -156.713 15.9094 -79.2796 165.237 225.788 -92.4074 20.2651 -71.1399 PRESSAVG: 750000 51.0224 -49.4044 -51.4827 -49.4044 -37.1017 -51.7604 -51.4827 -51.7603 7.77682 GPRESSAVG: 750000 51.0498 -48.4656 -49.8396 -47.5251 -38.0532 -52.6437 -52.6737 -51.4832 8.34873 TIMING: 750000 CPU: 2370.19, 0.00314445/step Wall: 2370.19, 0.00314445/step, 3.7122 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: 750000 4066.2165 20771.3143 14370.9826 235.1401 -203318.8610 2647.1277 0.0000 0.0000 52142.9331 -109085.1466 299.6662 -161228.0798 -108716.6607 299.3796 27.8938 59.2732 763387.2555 7.2325 7.1151 PRESSURE: 750200 -323.022 125.968 -53.3542 125.968 114.759 184.247 -53.3536 184.248 -301.783 GPRESSURE: 750200 -191.279 105.725 -79.3777 15.1882 86.635 127.752 -186.94 207.774 -312.239 PRESSAVG: 750200 -36.177 -32.2837 -46.5604 -32.2836 41.0937 -29.1989 -46.5604 -29.1989 6.55305 GPRESSAVG: 750200 -35.4941 -32.9444 -49.6297 -32.9004 42.6046 -27.922 -47.1651 -31.2676 5.04617 TIMING: 750200 CPU: 2370.82, 0.0031373/step Wall: 2370.82, 0.0031373/step, 3.70358 hours remaining, 233.125000 MB of memory in use. ENERGY: 750200 4033.8294 20760.8429 14498.4863 249.4312 -203098.3598 2427.8405 0.0000 0.0000 52089.6287 -109038.3008 299.3598 -161127.9295 -108676.9567 299.4218 -170.0154 -138.9609 761432.4918 3.8233 4.0522 PRESSURE: 750400 382.73 81.5701 -131.368 81.5703 -101.83 108.786 -131.369 108.785 456.089 GPRESSURE: 750400 466.722 71.0952 -82.898 161.078 -41.731 29.5476 -29.6323 138.949 415.233 PRESSAVG: 750400 -38.7615 -52.9418 -7.33518 -52.9418 -1.43081 10.2308 -7.33514 10.2308 -13.8693 GPRESSAVG: 750400 -38.4564 -54.7716 -5.11968 -50.8432 -2.15051 9.77576 -7.90106 9.90631 -13.0285 TIMING: 750400 CPU: 2371.45, 0.00314838/step Wall: 2371.45, 0.00314838/step, 3.71649 hours remaining, 233.125000 MB of memory in use. ENERGY: 750400 3989.5912 20594.3473 14482.2733 247.5113 -203583.1904 2857.0236 0.0000 0.0000 52150.2757 -109262.1680 299.7084 -161412.4437 -108886.1364 300.1134 245.6632 280.0746 761923.6870 -18.0206 -17.8785 PRESSURE: 750600 -27.659 -45.2833 -30.8135 -45.2821 3.32201 -30.266 -30.8141 -30.266 -91.1279 GPRESSURE: 750600 -18.2406 7.79185 7.26144 -113.286 28.4052 11.3512 -51.3474 -36.0811 -40.2265 PRESSAVG: 750600 23.3976 -50.393 -3.19985 -50.393 -19.588 -39.2433 -3.19987 -39.2433 3.53527 GPRESSAVG: 750600 22.7047 -49.2173 -2.55065 -53.3623 -19.8854 -40.6076 -1.75797 -36.1105 4.24624 TIMING: 750600 CPU: 2372.08, 0.0031295/step Wall: 2372.08, 0.0031295/step, 3.69403 hours remaining, 233.125000 MB of memory in use. ENERGY: 750600 3972.1709 20650.9056 14440.1519 256.9189 -203184.8069 2509.8200 0.0000 0.0000 51969.6164 -109385.2231 298.6701 -161354.8396 -109027.9437 299.0356 -38.4883 -10.0206 761769.1947 2.4483 2.3552 PRESSURE: 750800 -693.83 73.732 -236.124 73.7322 -26.7317 277.02 -236.124 277.021 63.7873 GPRESSURE: 750800 -580.659 59.3816 -173.45 -30.9074 -84.0879 282.668 -231.346 236.615 104.448 PRESSAVG: 750800 2.76241 -5.51007 -27.9687 -5.51015 6.70291 0.326568 -27.9686 0.326484 0.855616 GPRESSAVG: 750800 2.63775 -6.33368 -29.3418 -3.53135 6.89217 1.49771 -29.4054 -2.30804 0.63865 TIMING: 750800 CPU: 2372.71, 0.00316201/step Wall: 2372.71, 0.00316201/step, 3.73223 hours remaining, 233.125000 MB of memory in use. ENERGY: 750800 4000.3767 20530.7046 14463.8194 240.0644 -203081.2450 2354.3379 0.0000 0.0000 51979.2561 -109512.6859 298.7255 -161491.9420 -109152.0707 299.0214 -218.9248 -186.7662 760656.2075 3.4403 3.3895 PRESSURE: 751000 144.348 -50.9425 22.2686 -50.9425 208.324 -60.0587 22.2691 -60.0591 224.717 GPRESSURE: 751000 185.119 -117.075 58.0136 -90.9733 267.549 -57.7736 -51.4961 -162.503 232.564 PRESSAVG: 751000 6.03511 -14.6173 -9.40183 -14.6173 30.7594 30.3198 -9.40186 30.3198 -3.69791 GPRESSAVG: 751000 7.09915 -14.833 -8.51473 -14.8989 30.4338 29.7785 -7.52702 29.6088 -4.38752 TIMING: 751000 CPU: 2373.34, 0.00315912/step Wall: 2373.34, 0.00315912/step, 3.72864 hours remaining, 233.125000 MB of memory in use. ENERGY: 751000 3936.7414 20599.5878 14498.5700 247.2072 -203639.0562 2815.5552 0.0000 0.0000 52118.8308 -109422.5636 299.5276 -161541.3944 -109049.8514 298.7260 192.4630 228.4108 758943.1855 11.0322 11.0485 PRESSURE: 751200 -283.784 -170.185 -22.2366 -170.184 -145.717 40.4892 -22.2358 40.4894 -61.296 GPRESSURE: 751200 -197.964 -98.4145 -90.5541 -167.309 -78.4311 82.2744 -19.0821 -66.8994 -117.363 PRESSAVG: 751200 23.7763 -20.7792 -0.849405 -20.7792 30.7168 -46.8599 -0.849384 -46.8599 23.5845 GPRESSAVG: 751200 22.9669 -19.2029 -2.8999 -21.7795 31.8877 -47.012 -2.113 -45.1523 23.2966 TIMING: 751200 CPU: 2373.97, 0.00315963/step Wall: 2373.97, 0.00315963/step, 3.72907 hours remaining, 233.125000 MB of memory in use. ENERGY: 751200 3969.8353 20683.3714 14498.5229 237.1950 -203342.7554 2509.5292 0.0000 0.0000 51861.7022 -109582.5993 298.0499 -161444.3015 -109230.6146 299.2977 -163.5991 -131.2528 760199.6157 26.0259 26.0504 PRESSURE: 751400 -60.3343 0.564495 -178.638 0.565107 -211.299 -246.356 -178.638 -246.356 682.059 GPRESSURE: 751400 -20.1906 43.2293 -209.775 -23.8348 -139.761 -290.156 -52.7112 -83.5654 634.316 PRESSAVG: 751400 -7.6483 -23.1009 -32.7101 -23.1009 59.1491 -69.349 -32.7101 -69.349 8.51526 GPRESSAVG: 751400 -8.62436 -23.9307 -30.5688 -22.9275 58.341 -67.3268 -32.4503 -70.1967 9.812 TIMING: 751400 CPU: 2374.6, 0.00314678/step Wall: 2374.6, 0.00314679/step, 3.71373 hours remaining, 233.125000 MB of memory in use. ENERGY: 751400 4029.9047 20650.6606 14496.5848 250.8344 -203334.5771 2475.5894 0.0000 0.0000 51972.3623 -109458.6409 298.6859 -161431.0032 -109097.5028 299.6041 136.8084 158.1215 760808.4438 20.0054 19.8429 PRESSURE: 751600 -243.167 -22.8437 -191.041 -22.8439 -597.15 -20.1134 -191.041 -20.1122 -262.788 GPRESSURE: 751600 -287.253 -172.506 -161.085 -87.8575 -442.464 -52.7657 -143.285 -178.647 -276.203 PRESSAVG: 751600 19.5935 -58.5734 -27.5144 -58.5733 6.24596 -39.6262 -27.5144 -39.6263 -12.3013 GPRESSAVG: 751600 19.2596 -57.1513 -27.4521 -56.9447 6.88988 -41.2792 -25.6301 -39.8461 -12.5966 TIMING: 751600 CPU: 2375.23, 0.00313979/step Wall: 2375.23, 0.00313979/step, 3.7053 hours remaining, 233.125000 MB of memory in use. ENERGY: 751600 4072.8628 20618.8180 14382.0266 247.6492 -203030.6953 2393.7389 0.0000 0.0000 51796.0595 -109519.5404 297.6727 -161315.5999 -109161.7802 298.8495 -367.7019 -335.3067 761777.7555 4.5127 4.5176 PRESSURE: 751800 62.3223 182.035 302.269 182.036 52.0388 -78.9435 302.269 -78.942 -326.385 GPRESSURE: 751800 131.126 70.2127 191.803 196.229 6.29335 -95.9855 287.284 -163.759 -283.358 PRESSAVG: 751800 -16.2344 -9.77481 -64.5249 -9.77475 24.9616 -36.3802 -64.5249 -36.3801 2.03349 GPRESSAVG: 751800 -14.0783 -12.0464 -67.0696 -9.64884 23.3275 -36.1146 -65.7677 -36.048 1.60586 TIMING: 751800 CPU: 2375.86, 0.0031521/step Wall: 2375.86, 0.0031521/step, 3.71966 hours remaining, 233.125000 MB of memory in use. ENERGY: 751800 3968.3745 20487.2949 14525.3197 277.6266 -203314.0370 2329.4180 0.0000 0.0000 52097.2153 -109628.7879 299.4034 -161726.0031 -109253.9405 298.8630 -70.6747 -48.6460 761040.6305 3.5869 3.6183 PRESSURE: 752000 -329.222 121.928 -110.719 121.927 55.7069 258.73 -110.719 258.729 -87.1951 GPRESSURE: 752000 -265.534 44.5073 -90.3917 71.0859 26.7854 311.971 -82.9698 88.2287 -37.8841 PRESSAVG: 752000 4.51868 -48.122 9.75217 -48.1219 -7.25707 31.7335 9.75213 31.7336 4.43808 GPRESSAVG: 752000 3.9795 -45.1698 11.8437 -49.23 -6.26398 32.837 9.25235 31.9513 3.76142 TIMING: 752000 CPU: 2376.49, 0.00315642/step Wall: 2376.49, 0.00315642/step, 3.72457 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: 752000 4061.9044 20565.1715 14457.3293 251.2245 -203647.7901 2929.0081 0.0000 0.0000 51903.4876 -109479.6647 298.2901 -161383.1523 -109116.8902 298.5285 -120.2367 -92.2109 762433.5653 0.5666 0.4923 PRESSURE: 752200 -188.958 -71.0997 -259.282 -71.0993 24.1652 47.8108 -259.281 47.8096 158.37 GPRESSURE: 752200 -147.181 -159.119 -160.265 4.23463 28.0889 75.6958 -233.52 52.0105 198.128 PRESSAVG: 752200 -35.4563 -56.183 -18.9765 -56.183 74.4956 19.3786 -18.9765 19.3786 -22.4628 GPRESSAVG: 752200 -36.5468 -57.4963 -20.2027 -55.4275 73.6195 19.0451 -18.9164 20.0287 -20.5319 TIMING: 752200 CPU: 2377.12, 0.00315441/step Wall: 2377.12, 0.00315441/step, 3.72202 hours remaining, 233.125000 MB of memory in use. ENERGY: 752200 3989.6572 20512.3170 14562.3520 234.1088 -202894.1792 2220.8204 0.0000 0.0000 52044.2744 -109330.6493 299.0992 -161374.9237 -108976.6618 299.1302 -2.1409 26.3454 761494.8106 5.5255 5.5136 LDB: ============= START OF LOAD BALANCING ============== 2389.65 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2389.65 LDB: =============== DONE WITH MIGRATION ================ 2389.66 LDB: ============= START OF LOAD BALANCING ============== 2389.97 LDB: Largest compute 7060 load 0.031212 is 16.0% of average load 0.195166 LDB: Average compute 0.004399 is 2.3% of average load 0.195166 LDB: TIME 2389.98 LOAD: AVG 0.195166 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.18 MB LDB: TIME 2389.98 LOAD: AVG 0.195166 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.203 MB LDB: TIME 2389.98 LOAD: AVG 0.195166 MAX 0.213935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.203 MB LDB: ============== END OF LOAD BALANCING =============== 2389.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2389.98 PRESSURE: 752400 25.2905 4.97602 -200.543 4.97598 -59.0744 76.1151 -200.543 76.1157 218.833 GPRESSURE: 752400 132.535 196.088 -186.232 -168.872 -13.062 90.3554 -48.3268 -32.6911 172.556 PRESSAVG: 752400 33.7182 -40.6565 16.2163 -40.6564 -49.6997 4.40346 16.2163 4.4035 9.57878 GPRESSAVG: 752400 34.99 -39.4446 16.5734 -41.57 -49.0363 4.63786 17.0355 2.25086 7.976 TIMING: 752400 CPU: 2377.77, 0.00321783/step Wall: 2377.77, 0.00321783/step, 3.79669 hours remaining, 233.433594 MB of memory in use. ENERGY: 752400 3928.8712 20384.7665 14483.1361 243.0115 -203146.6952 2665.5087 0.0000 0.0000 51907.7936 -109533.6076 298.3148 -161441.4012 -109170.1887 298.8551 61.6829 97.3429 761808.2138 -2.1342 -2.0234 PRESSURE: 752600 -194.417 -150.895 154.802 -150.894 -351.899 65.8843 154.801 65.8853 -291.539 GPRESSURE: 752600 -104.786 -218.07 158.09 -211.198 -353.763 36.7383 108.199 161.116 -294.988 PRESSAVG: 752600 -26.1188 -22.0078 -1.95719 -22.0079 6.51883 1.45197 -1.95715 1.45201 -4.22331 GPRESSAVG: 752600 -25.4401 -22.9792 -1.76454 -24.2885 5.87628 3.40502 -2.39785 4.29681 -3.90371 TIMING: 752600 CPU: 2378.4, 0.00316204/step Wall: 2378.4, 0.00316204/step, 3.73068 hours remaining, 233.726562 MB of memory in use. ENERGY: 752600 3981.2854 20444.1782 14423.8802 254.8169 -203454.5123 2672.3915 0.0000 0.0000 52002.1323 -109675.8280 298.8570 -161677.9602 -109321.8935 298.0820 -279.2851 -251.1791 762756.4802 -7.9411 -7.8225 PRESSURE: 752800 271.712 25.3622 -118.099 25.3621 115.383 23.7653 -118.099 23.7661 40.8602 GPRESSURE: 752800 268.839 -85.2381 -246.346 -94.6909 159.228 -71.5273 -202.325 60.7684 72.5816 PRESSAVG: 752800 14.1834 -10.4278 9.931 -10.4279 14.2505 -21.7021 9.93105 -21.7021 8.54575 GPRESSAVG: 752800 14.3174 -10.9171 10.1502 -9.28566 14.5775 -24.1161 8.20147 -23.0242 7.99817 TIMING: 752800 CPU: 2379.03, 0.00316294/step Wall: 2379.03, 0.00316294/step, 3.73157 hours remaining, 233.726562 MB of memory in use. ENERGY: 752800 4034.9142 20543.7411 14494.8451 268.8621 -203405.0402 2716.2386 0.0000 0.0000 51689.2129 -109657.2262 297.0586 -161346.4390 -109300.5350 298.4482 142.6515 166.8829 761790.7009 12.3265 12.2977 PRESSURE: 753000 337.464 127.641 -37.9912 127.642 330.051 150.003 -37.9926 150.004 47.2259 GPRESSURE: 753000 267.048 -7.4278 -129.083 188.898 469.023 143.029 50.5081 82.4549 68.2123 PRESSAVG: 753000 5.24352 36.3736 -23.7345 36.3736 45.0576 10.5613 -23.7345 10.5613 14.7862 GPRESSAVG: 753000 2.47567 34.5116 -22.7219 37.2416 46.4369 11.0613 -21.5078 10.8653 16.1103 TIMING: 753000 CPU: 2379.66, 0.0031401/step Wall: 2379.66, 0.0031401/step, 3.70445 hours remaining, 233.726562 MB of memory in use. ENERGY: 753000 3870.7115 20380.7125 14497.4836 256.3388 -203546.0853 2829.9581 0.0000 0.0000 51862.1635 -109848.7173 298.0526 -161710.8807 -109477.0625 298.9259 238.2471 268.0945 761748.5900 21.6957 21.6743 PRESSURE: 753200 -65.3613 185.493 -166.82 185.494 -162.543 11.163 -166.82 11.1619 -4.60272 GPRESSURE: 753200 -44.61 116.467 -144.512 73.2411 -113.594 2.88162 -109.172 30.5366 11.6657 PRESSAVG: 753200 38.4324 40.8722 -31.3656 40.8722 -48.1069 2.11539 -31.3656 2.11533 -4.52716 GPRESSAVG: 753200 39.7666 42.7077 -30.5418 39.3707 -48.8251 1.18857 -32.068 2.51707 -5.47891 TIMING: 753200 CPU: 2380.29, 0.0031376/step Wall: 2380.29, 0.0031376/step, 3.70132 hours remaining, 233.726562 MB of memory in use. ENERGY: 753200 3945.2401 20482.9882 14404.5089 253.0606 -203223.4670 2714.7642 0.0000 0.0000 51781.4368 -109641.4680 297.5886 -161422.9049 -109288.4171 298.3250 -77.5025 -48.8462 763462.0739 -4.7339 -4.8458 PRESSURE: 753400 124.121 113.282 70.7027 113.281 -80.8741 26.9233 70.7024 26.9233 -6.75392 GPRESSURE: 753400 172.121 2.63615 94.101 160.386 -70.5819 22.7409 65.6793 90.7825 9.11989 PRESSAVG: 753400 18.6666 34.9967 -28.0509 34.9967 -41.8162 10.9116 -28.051 10.9116 12.707 GPRESSAVG: 753400 17.9323 34.1479 -28.6271 34.3172 -41.5304 12.456 -29.6531 9.39309 12.9565 TIMING: 753400 CPU: 2380.92, 0.00315225/step Wall: 2380.92, 0.00315225/step, 3.71843 hours remaining, 233.726562 MB of memory in use. ENERGY: 753400 3924.8868 20477.7056 14429.3309 243.6244 -203366.4906 2689.7180 0.0000 0.0000 51893.9715 -109707.2534 298.2354 -161601.2249 -109350.2467 298.0753 12.1642 36.8864 762590.0363 -3.4809 -3.5472 PRESSURE: 753600 235.978 84.7106 -12.2135 84.7106 125.154 78.6859 -12.2124 78.6855 181.145 GPRESSURE: 753600 271.138 63.8668 0.666231 29.1954 171.812 91.1208 21.5469 145.981 185.142 PRESSAVG: 753600 15.0134 -0.443668 -40.7753 -0.443655 28.487 40.6086 -40.7753 40.6086 -0.62633 GPRESSAVG: 753600 15.1188 -1.93547 -42.0021 0.79263 27.3406 38.7469 -37.5014 43.7193 0.211275 TIMING: 753600 CPU: 2381.55, 0.00314582/step Wall: 2381.55, 0.00314582/step, 3.71067 hours remaining, 233.726562 MB of memory in use. ENERGY: 753600 3997.4178 20575.2735 14433.8103 226.9719 -203911.8569 3165.7120 0.0000 0.0000 51868.6571 -109644.0143 298.0899 -161512.6714 -109291.6506 298.5006 180.7589 209.3641 760247.1880 14.2914 14.2235 PRESSURE: 753800 212.16 93.2223 -250.734 93.2221 295.046 -49.8703 -250.734 -49.8691 -190.206 GPRESSURE: 753800 176.853 57.6178 -187.181 178.869 229.355 -10.3828 -227.028 -117.465 -25.9157 PRESSAVG: 753800 -23.7141 36.4109 -46.7437 36.4109 38.5378 -15.2072 -46.7436 -15.2072 -14.0401 GPRESSAVG: 753800 -24.274 39.1349 -46.9908 35.7233 38.574 -14.5323 -47.0282 -17.2026 -13.8543 TIMING: 753800 CPU: 2382.18, 0.0031411/step Wall: 2382.18, 0.0031411/step, 3.70493 hours remaining, 233.726562 MB of memory in use. ENERGY: 753800 3936.9523 20594.4511 14450.2555 254.0321 -203599.1168 2703.1384 0.0000 0.0000 51914.3728 -109745.9145 298.3526 -161660.2873 -109375.7786 298.4300 105.6668 126.7640 762089.2756 0.2612 0.1486 PRESSURE: 754000 -26.6723 -18.2434 10.4448 -18.2439 132.093 -82.3355 10.4454 -82.3365 -97.8364 GPRESSURE: 754000 83.8565 -2.82592 35.4463 3.61097 100.594 59.9015 32.5198 -20.6171 -82.94 PRESSAVG: 754000 -25.5435 2.74842 -17.0545 2.74843 -33.5404 11.807 -17.0545 11.8071 12.1558 GPRESSAVG: 754000 -23.5619 1.06097 -16.8809 5.09632 -33.0263 11.7284 -17.537 13.5302 9.48282 TIMING: 754000 CPU: 2382.8, 0.00314312/step Wall: 2382.8, 0.00314312/step, 3.70714 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: 754000 3966.6564 20514.2770 14459.8726 254.1558 -203553.7454 2961.9171 0.0000 0.0000 51798.9034 -109597.9630 297.6890 -161396.8664 -109236.7404 298.6586 2.5282 33.8369 762254.9213 -15.6427 -15.7018 PRESSURE: 754200 374.662 -148.409 141.841 -148.409 402.42 15.9098 141.841 15.9092 118.318 GPRESSURE: 754200 448.813 -78.1497 157.603 -82.4172 361.368 33.2731 169.253 40.1596 170.723 PRESSAVG: 754200 -28.8773 15.3973 -4.38125 15.3974 55.2259 3.78978 -4.38124 3.78971 7.84003 GPRESSAVG: 754200 -29.8033 16.8956 -4.71369 13.4108 54.5901 4.6276 -4.38514 1.60794 9.24489 TIMING: 754200 CPU: 2383.43, 0.00312737/step Wall: 2383.43, 0.00312737/step, 3.68839 hours remaining, 233.726562 MB of memory in use. ENERGY: 754200 3974.6050 20461.7409 14428.8063 247.0655 -203919.8056 3142.8355 0.0000 0.0000 52044.8518 -109619.9005 299.1025 -161664.7523 -109266.8428 298.7491 298.4667 326.9682 762342.0534 11.3962 11.3439 PRESSURE: 754400 -220.502 149.054 226.184 149.054 -394.347 91.3121 226.185 91.3116 -105.366 GPRESSURE: 754400 -263.123 142.996 173.047 155.187 -283.04 102.466 290.619 7.86775 -92.4223 PRESSAVG: 754400 -40.9994 36.7803 35.7843 36.7804 32.5451 -28.267 35.7843 -28.2669 -19.9056 GPRESSAVG: 754400 -41.3681 35.8469 36.3128 37.4377 32.7711 -28.54 34.2278 -28.4228 -19.6802 TIMING: 754400 CPU: 2384.06, 0.00313857/step Wall: 2384.06, 0.00313857/step, 3.70142 hours remaining, 233.726562 MB of memory in use. ENERGY: 754400 3958.2615 20552.1537 14421.2152 251.3909 -203634.1640 2634.8773 0.0000 0.0000 52070.3680 -109745.8975 299.2491 -161816.2654 -109377.5893 298.6632 -240.0717 -212.8618 762377.1426 -9.4533 -9.4257 PRESSURE: 754600 18.3387 34.8074 37.8647 34.8086 29.3274 -29.2538 37.8652 -29.2549 -441.691 GPRESSURE: 754600 87.7762 68.8811 62.3082 178.374 -22.258 -9.09595 83.3352 51.5175 -362.059 PRESSAVG: 754600 65.9324 16.874 -3.93187 16.874 -42.0094 -9.51807 -3.93187 -9.51814 25.7934 GPRESSAVG: 754600 67.2266 16.6502 -3.50454 16.2543 -42.5336 -10.6281 -3.40684 -9.06887 24.7082 TIMING: 754600 CPU: 2384.69, 0.00314483/step Wall: 2384.69, 0.00314483/step, 3.70862 hours remaining, 233.726562 MB of memory in use. ENERGY: 754600 4027.4481 20522.7730 14438.3916 230.1744 -203561.4964 2777.9918 0.0000 0.0000 52066.3773 -109498.3401 299.2262 -161564.7174 -109134.9845 298.2154 -131.3418 -98.8470 762501.3785 16.5721 16.4671 PRESSURE: 754800 -213.168 -39.2864 -154.233 -39.2856 22.013 67.7736 -154.233 67.773 -318.736 GPRESSURE: 754800 -77.5253 16.9409 -172.379 68.093 -49.3093 76.6262 -131.082 -1.65632 -318.473 PRESSAVG: 754800 -48.5523 51.515 50.7202 51.5151 28.1807 -29.6735 50.7202 -29.6735 22.0904 GPRESSAVG: 754800 -48.3208 50.6072 50.6563 51.9147 28.0745 -30.9239 52.3807 -29.5178 22.6599 TIMING: 754800 CPU: 2385.32, 0.00315638/step Wall: 2385.32, 0.00315638/step, 3.72207 hours remaining, 233.726562 MB of memory in use. ENERGY: 754800 4021.0876 20531.7330 14481.9173 241.4420 -203400.2247 2624.0563 0.0000 0.0000 52146.5104 -109353.4780 299.6867 -161499.9884 -108994.3242 298.6516 -169.9635 -148.4358 762013.4138 0.5730 0.8046 PRESSURE: 755000 -340.473 10.373 1.95728 10.3723 -17.1105 -8.8338 1.95802 -8.83329 -66.3605 GPRESSURE: 755000 -355.258 -91.9421 19.0632 -54.6411 62.4157 74.7439 -70.718 -231.038 -70.0924 PRESSAVG: 755000 -12.4137 46.7864 -7.25313 46.7863 6.35711 3.84408 -7.25311 3.84406 29.4334 GPRESSAVG: 755000 -13.1689 46.7731 -8.33505 46.301 7.21486 7.16786 -7.85034 2.39583 29.0593 TIMING: 755000 CPU: 2385.95, 0.00314157/step Wall: 2385.95, 0.00314157/step, 3.70444 hours remaining, 233.726562 MB of memory in use. ENERGY: 755000 3971.2277 20571.6514 14439.7101 262.2961 -202780.3804 2169.3837 0.0000 0.0000 52107.8065 -109258.3049 299.4643 -161366.1114 -108902.7959 299.5290 -141.3147 -120.9784 762210.3119 7.7923 7.7018 PRESSURE: 755200 -343.23 134.833 144.648 134.832 139.446 196.615 144.648 196.615 79.0178 GPRESSURE: 755200 -235.172 153.784 150.932 154.293 179.407 250.99 -65.0681 216.261 16.307 PRESSAVG: 755200 -14.1386 40.8608 63.1402 40.8607 10.5495 0.787559 63.1402 0.787596 -31.5857 GPRESSAVG: 755200 -14.1247 41.7882 63.3101 39.6681 11.081 0.852201 61.6737 0.502685 -32.0676 TIMING: 755200 CPU: 2386.57, 0.00313577/step Wall: 2386.57, 0.00313577/step, 3.69742 hours remaining, 233.726562 MB of memory in use. ENERGY: 755200 4046.6116 20603.8663 14418.8152 252.3054 -203364.2180 2682.0754 0.0000 0.0000 52034.5606 -109325.9835 299.0433 -161360.5440 -108975.4058 298.9069 -41.5888 -13.1526 761956.8233 -11.7249 -11.7038 PRESSURE: 755400 -23.0003 209.69 10.4957 209.69 -125.244 18.9322 10.4972 18.9324 198.959 GPRESSURE: 755400 -28.6191 -19.1062 12.5864 315.1 -58.59 66.6592 14.24 2.5247 230.658 PRESSAVG: 755400 1.81295 88.4403 -22.8172 88.4403 33.6603 35.1883 -22.8172 35.1883 10.2638 GPRESSAVG: 755400 1.88055 85.9827 -21.9842 91.7993 33.7065 35.6714 -21.1355 38.0393 10.2972 TIMING: 755400 CPU: 2387.2, 0.00313799/step Wall: 2387.2, 0.00313799/step, 3.69987 hours remaining, 233.726562 MB of memory in use. ENERGY: 755400 3939.9976 20399.2620 14493.0565 261.0747 -203250.4174 2790.3331 0.0000 0.0000 52174.1795 -109192.5140 299.8457 -161366.6935 -108825.2713 299.6262 16.9050 47.8163 761924.4774 15.2457 15.2948 PRESSURE: 755600 42.3823 96.8238 -14.1644 96.8237 151.233 105.255 -14.164 105.256 -140.316 GPRESSURE: 755600 -4.9459 142.589 -114.457 -4.35159 199.21 188.684 -8.83224 19.1672 -74.2751 PRESSAVG: 755600 -51.2455 47.4542 -3.31191 47.4542 59.1977 59.6542 -3.31187 59.6542 2.19521 GPRESSAVG: 755600 -51.6158 48.1906 -4.01859 47.8886 58.3904 59.3273 -3.04454 57.3277 2.85065 TIMING: 755600 CPU: 2387.83, 0.00313302/step Wall: 2387.83, 0.00313302/step, 3.69383 hours remaining, 233.726562 MB of memory in use. ENERGY: 755600 4026.1817 20513.9376 14437.8177 252.0431 -203426.4548 2895.4412 0.0000 0.0000 51994.7231 -109306.3104 298.8144 -161301.0335 -108944.2214 299.2398 17.7665 39.9962 761526.0435 3.3825 3.2084 PRESSURE: 755800 197.927 408.476 87.1407 408.475 -301.758 -38.719 87.1405 -38.7182 236.197 GPRESSURE: 755800 199.074 340.021 -1.71121 279.626 -168.27 -21.3182 156.479 9.18735 195.203 PRESSAVG: 755800 0.2964 20.6566 58.0025 20.6566 -44.8264 -2.55174 58.0025 -2.55175 32.7726 GPRESSAVG: 755800 0.635351 21.3923 57.3295 18.3975 -44.5465 -3.13476 58.6475 -1.21449 31.9416 TIMING: 755800 CPU: 2388.45, 0.00312825/step Wall: 2388.45, 0.00312825/step, 3.68804 hours remaining, 233.726562 MB of memory in use. ENERGY: 755800 3956.8345 20512.9147 14420.5421 272.4658 -203352.2744 2843.4729 0.0000 0.0000 52096.7837 -109249.2608 299.4009 -161346.0445 -108890.2650 299.5279 44.1219 75.3357 762408.6461 -3.9191 -3.9899 PRESSURE: 756000 208.221 150.748 -128.641 150.748 -158.862 -93.4657 -128.642 -93.4657 -403.38 GPRESSURE: 756000 209.096 181.176 -105.183 124.233 -150.65 -78.4884 36.0911 -81.8415 -326.435 PRESSAVG: 756000 -31.7589 4.26755 59.5375 4.26756 27.7447 16.1785 59.5375 16.1785 10.7491 GPRESSAVG: 756000 -30.7901 5.60355 61.9896 3.06621 26.7158 14.817 59.0206 15.4608 10.199 TIMING: 756000 CPU: 2389.08, 0.00314532/step Wall: 2389.08, 0.00314532/step, 3.70798 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: 756000 3955.7775 20534.7619 14455.0798 234.3841 -203150.7258 2578.5428 0.0000 0.0000 52209.6124 -109182.5673 300.0494 -161392.1797 -108814.6465 299.0582 -118.0068 -89.3295 763657.9072 2.2449 2.0416 PRESSURE: 756200 461.546 91.2783 96.9563 91.279 -64.158 -33.3631 96.957 -33.3646 9.19572 GPRESSURE: 756200 445.153 -44.0337 99.0298 111.466 3.28107 -82.8416 10.9979 20.0632 21.6638 PRESSAVG: 756200 35.7519 20.8407 -2.93146 20.8406 20.9352 3.62629 -2.93144 3.62626 -0.882349 GPRESSAVG: 756200 34.8446 17.9861 -4.98707 23.168 21.1789 5.76049 -3.6675 3.23089 -0.603442 TIMING: 756200 CPU: 2389.71, 0.00313656/step Wall: 2389.71, 0.00313656/step, 3.69748 hours remaining, 233.714844 MB of memory in use. ENERGY: 756200 3986.9631 20630.2000 14397.1382 230.6288 -203069.0557 2614.0408 0.0000 0.0000 52013.1486 -109196.9362 298.9203 -161210.0848 -108841.1599 299.1041 135.5278 156.6992 762112.8435 18.6016 18.4734 LDB: ============= START OF LOAD BALANCING ============== 2402.24 LDB: ============== END OF LOAD BALANCING =============== 2402.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2402.24 LDB: ============= START OF LOAD BALANCING ============== 2402.56 LDB: Largest compute 7060 load 0.031358 is 16.1% of average load 0.195251 LDB: Average compute 0.004416 is 2.3% of average load 0.195251 LDB: TIME 2402.56 LOAD: AVG 0.195251 MAX 0.211983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.914 MB LDB: TIME 2402.56 LOAD: AVG 0.195251 MAX 0.211983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.918 MB LDB: TIME 2402.56 LOAD: AVG 0.195251 MAX 0.211983 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.918 MB LDB: ============== END OF LOAD BALANCING =============== 2402.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2402.57 PRESSURE: 756400 -290.917 99.9596 174.438 99.9594 -33.2901 -99.9309 174.438 -99.931 -170.137 GPRESSURE: 756400 -251.791 168.381 274.499 51.0486 14.9752 -48.9503 208.25 -84.3812 -157.645 PRESSAVG: 756400 5.23644 -9.87281 -4.74646 -9.87285 -51.3114 2.45871 -4.7465 2.4587 -16.4844 GPRESSAVG: 756400 4.02199 -8.58228 -4.54775 -11.5663 -50.4283 2.13291 -3.28495 1.61479 -16.338 TIMING: 756400 CPU: 2390.35, 0.00322205/step Wall: 2390.35, 0.00322205/step, 3.79808 hours remaining, 233.558594 MB of memory in use. ENERGY: 756400 4039.0005 20305.6339 14446.9587 247.6509 -203103.3737 2736.1515 0.0000 0.0000 52226.2469 -109101.7313 300.1450 -161327.9783 -108735.9066 299.1995 -164.7811 -131.4870 762792.6105 -20.8531 -20.9148 PRESSURE: 756600 286.621 -41.6872 -15.8892 -41.6881 88.558 87.4839 -15.8896 87.4838 -0.518743 GPRESSURE: 756600 287.629 -1.78522 -106.655 -17.6755 165.375 41.9848 -116.697 160.021 16.3499 PRESSAVG: 756600 9.76958 -14.731 26.122 -14.731 -3.60845 62.8591 26.1221 62.8591 -2.52522 GPRESSAVG: 756600 11.1699 -13.2455 24.8735 -14.094 -4.97438 63.0337 24.3208 62.0866 -2.88177 TIMING: 756600 CPU: 2390.98, 0.00314828/step Wall: 2390.98, 0.00314828/step, 3.71095 hours remaining, 233.839844 MB of memory in use. ENERGY: 756600 3943.3973 20642.3593 14455.6621 232.0152 -203100.2239 2804.3555 0.0000 0.0000 52053.4157 -108969.0189 299.1517 -161022.4346 -108609.4144 299.6937 124.8866 156.4512 761924.7404 1.2120 1.1046 PRESSURE: 756800 15.6699 53.2412 -210.604 53.2413 -26.3341 -144.527 -210.605 -144.527 -58.3475 GPRESSURE: 756800 95.7944 128.727 -99.2948 110.328 -16.2627 -130.039 -45.5823 -21.3668 -78.9842 PRESSAVG: 756800 46.4075 0.353359 52.2296 0.353383 -5.83585 33.3638 52.2296 33.3638 20.5136 GPRESSAVG: 756800 45.7027 1.07855 53.92 -1.05974 -5.73438 33.4922 54.7039 37.5554 21.3809 TIMING: 756800 CPU: 2391.61, 0.00315093/step Wall: 2391.61, 0.00315093/step, 3.71389 hours remaining, 233.839844 MB of memory in use. ENERGY: 756800 4032.6991 20543.6778 14459.6002 225.9531 -203265.5595 2779.7185 0.0000 0.0000 52197.8390 -109026.0718 299.9817 -161223.9108 -108662.3148 300.0176 -23.0039 0.1825 762117.9242 20.3617 20.4497 PRESSURE: 757000 -226.706 44.488 111.366 44.4869 -138.483 14.6918 111.367 14.6922 102.867 GPRESSURE: 757000 -162.376 57.8608 166.4 94.0428 -160.354 75.7564 106.584 -54.9259 160.377 PRESSAVG: 757000 -21.7637 48.7728 30.7553 48.7727 2.1848 -33.9976 30.7553 -33.9976 8.61313 GPRESSAVG: 757000 -22.0514 47.3975 31.108 49.2581 2.92622 -34.9751 29.474 -35.5334 8.68735 TIMING: 757000 CPU: 2392.24, 0.00313821/step Wall: 2392.24, 0.00313821/step, 3.69873 hours remaining, 233.839844 MB of memory in use. ENERGY: 757000 4033.4096 20561.4238 14449.3949 241.9329 -202810.3797 2613.7394 0.0000 0.0000 51900.2803 -109010.1988 298.2716 -160910.4792 -108655.7761 299.3174 -87.4408 -54.1177 763590.2154 -3.6552 -3.4793 PRESSURE: 757200 28.3439 72.1649 223.46 72.1649 -144.079 -136.437 223.461 -136.438 -135.642 GPRESSURE: 757200 112.069 -28.7738 259.103 12.6986 -98.9397 -138.787 200.652 -63.3889 -189.537 PRESSAVG: 757200 -51.8793 64.4158 38.8922 64.4157 -18.2351 -29.8822 38.8922 -29.8823 13.5816 GPRESSAVG: 757200 -50.7276 65.2987 38.2408 64.4152 -18.7973 -29.1998 39.7137 -31.3232 14.0647 TIMING: 757200 CPU: 2392.87, 0.00312543/step Wall: 2392.87, 0.00312543/step, 3.68349 hours remaining, 233.839844 MB of memory in use. ENERGY: 757200 3954.8273 20610.9480 14520.8200 218.0571 -203430.4641 2976.8549 0.0000 0.0000 52088.2829 -109060.6739 299.3521 -161148.9568 -108692.0991 299.1226 -83.7925 -58.8026 763439.8615 -18.8442 -18.4868 PRESSURE: 757400 -141.525 15.5604 227.036 15.5604 -235.534 -181.92 227.036 -181.92 -309.546 GPRESSURE: 757400 -194.056 76.1699 179.018 -3.45737 -118.896 -162.727 168.155 -71.8022 -289.898 PRESSAVG: 757400 18.5558 18.3202 63.9947 18.3201 -10.3403 -25.9595 63.9947 -25.9595 8.92403 GPRESSAVG: 757400 16.9114 17.3483 63.8729 18.0204 -9.54488 -24.3868 63.4469 -23.9798 9.21643 TIMING: 757400 CPU: 2393.49, 0.00313273/step Wall: 2393.49, 0.00313273/step, 3.69192 hours remaining, 233.839844 MB of memory in use. ENERGY: 757400 3965.9871 20507.1067 14479.2028 237.2135 -202865.3187 2481.1823 0.0000 0.0000 52089.9719 -109104.6545 299.3618 -161194.6264 -108737.4094 299.3184 -228.8684 -200.9499 762192.7321 5.7132 5.5277 PRESSURE: 757600 -16.8497 -18.6149 323.238 -18.6154 84.7367 20.114 323.238 20.1144 -445.742 GPRESSURE: 757600 72.5431 -93.8497 360.21 62.546 86.9138 -2.08656 219.398 67.6169 -452.387 PRESSAVG: 757600 -24.7035 26.8839 61.5139 26.8839 3.73006 -32.603 61.514 -32.6029 -13.1619 GPRESSAVG: 757600 -23.4312 26.7713 62.6658 27.3931 2.55906 -34.4168 60.2191 -33.3301 -13.9167 TIMING: 757600 CPU: 2394.12, 0.00314288/step Wall: 2394.12, 0.00314288/step, 3.70371 hours remaining, 233.839844 MB of memory in use. ENERGY: 757600 4004.8500 20440.9796 14452.3218 245.0517 -202937.4897 2794.0044 0.0000 0.0000 51892.1761 -109108.1061 298.2250 -161000.2821 -108753.2950 299.5374 -125.9516 -97.6434 764679.8543 -11.3784 -11.5963 PRESSURE: 757800 -71.7329 250.226 190.296 250.225 -130.363 -17.8504 190.297 -17.8503 81.4993 GPRESSURE: 757800 -140.184 335.414 156.24 205.368 -50.3997 -94.8488 212.02 -37.6133 154.848 PRESSAVG: 757800 -62.7068 40.8955 70.8855 40.8956 55.4345 5.94424 70.8855 5.94423 -5.82284 GPRESSAVG: 757800 -62.6574 42.1832 70.0889 41.5373 56.0033 5.09936 72.0441 5.26308 -6.40296 TIMING: 757800 CPU: 2394.74, 0.00311794/step Wall: 2394.74, 0.00311794/step, 3.67414 hours remaining, 233.839844 MB of memory in use. ENERGY: 757800 3979.3135 20389.1739 14503.9940 240.7128 -203301.7191 2777.4043 0.0000 0.0000 52136.8815 -109274.2389 299.6314 -161411.1204 -108912.8703 299.1079 -40.1989 -11.9119 764825.0697 -4.3651 -4.3524 PRESSURE: 758000 -229.787 -64.1922 226.278 -64.1913 -6.49194 29.4595 226.278 29.4591 -247.807 GPRESSURE: 758000 -268.131 -120.569 216.92 -135.354 57.5475 104.428 275.683 138.291 -185.644 PRESSAVG: 758000 -46.183 4.01661 33.3544 4.01652 70.737 -32.6644 33.3544 -32.6644 -1.00017 GPRESSAVG: 758000 -47.6602 4.01223 32.6053 2.23335 72.3136 -32.2901 35.066 -31.9126 -1.40899 TIMING: 758000 CPU: 2395.37, 0.00312829/step Wall: 2395.37, 0.00312829/step, 3.68617 hours remaining, 233.839844 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: 758000 3990.1442 20388.0685 14530.8947 262.0180 -203207.5739 2744.8454 0.0000 0.0000 52037.8383 -109253.7646 299.0622 -161291.6030 -108904.1759 298.5755 -161.3620 -132.0758 764321.0781 7.8513 7.7481 PRESSURE: 758200 -660.729 -27.2755 47.4237 -27.2756 -92.8038 378.189 47.4235 378.189 -497.796 GPRESSURE: 758200 -672.728 23.6914 121.544 -52.6911 -43.4188 417.443 93.3142 257.229 -462.298 PRESSAVG: 758200 -46.5961 21.8517 56.6362 21.8517 11.4397 14.3061 56.6362 14.3062 -18.2921 GPRESSAVG: 758200 -45.681 21.0253 57.1392 22.3449 10.5335 14.7326 56.1321 14.5172 -18.7614 TIMING: 758200 CPU: 2395.99, 0.00312276/step Wall: 2395.99, 0.00312276/step, 3.67948 hours remaining, 233.839844 MB of memory in use. ENERGY: 758200 3936.5830 20527.2985 14545.7905 226.0544 -202901.8436 2483.2274 0.0000 0.0000 51932.9858 -109249.9039 298.4596 -161182.8898 -108878.7805 298.9166 -417.1097 -392.8150 762987.9434 -17.8162 -17.9696 PRESSURE: 758400 -90.1891 166.319 10.8177 166.318 -26.3427 11.6101 10.8183 11.6105 -447.493 GPRESSURE: 758400 21.9729 43.9337 150.745 123.379 -102.302 42.9738 33.5685 -36.1237 -386.95 PRESSAVG: 758400 5.98179 19.5039 43.2182 19.5039 1.45546 6.98205 43.2182 6.98204 2.29812 GPRESSAVG: 758400 5.8367 19.3178 43.8418 18.0873 0.548009 8.64712 44.8471 6.31629 2.96517 TIMING: 758400 CPU: 2396.62, 0.00313265/step Wall: 2396.62, 0.00313265/step, 3.69096 hours remaining, 233.839844 MB of memory in use. ENERGY: 758400 3911.9332 20398.2950 14438.9226 260.2058 -202856.1438 2496.8374 0.0000 0.0000 52000.3358 -109349.6140 298.8466 -161349.9498 -108993.4353 299.2179 -188.0083 -155.7597 762902.8113 3.2451 3.1166 PRESSURE: 758600 -146.902 -22.6002 435.904 -22.6004 260.483 -88.9232 435.904 -88.9247 -0.916307 GPRESSURE: 758600 -90.1194 -78.1317 512.272 19.9476 303.231 -128.189 366.28 -191.324 3.38749 PRESSAVG: 758600 21.0986 24.9746 41.7981 24.9746 35.6521 8.5778 41.7981 8.57788 -1.23267 GPRESSAVG: 758600 20.8746 25.3607 40.6813 26.6437 35.6377 7.08585 39.3913 8.28425 -0.949149 TIMING: 758600 CPU: 2397.25, 0.00312343/step Wall: 2397.25, 0.00312343/step, 3.67992 hours remaining, 233.839844 MB of memory in use. ENERGY: 758600 4012.4557 20474.6015 14421.6326 254.5755 -203433.4951 2783.7454 0.0000 0.0000 52145.2497 -109341.2347 299.6795 -161486.4844 -108984.9372 299.4475 37.5551 72.1663 760043.9085 18.5060 18.5210 PRESSURE: 758800 20.1851 88.0709 -11.014 88.0708 -147.039 -27.1695 -11.014 -27.1696 -48.2742 GPRESSURE: 758800 -23.0518 115.165 -81.9467 79.587 -92.0948 6.51479 19.159 103.404 2.19618 PRESSAVG: 758800 -54.5728 78.4209 15.4254 78.4209 3.62689 -17.8997 15.4254 -17.8998 3.83409 GPRESSAVG: 758800 -56.4143 77.5726 15.2009 79.605 5.29796 -18.3868 16.7339 -17.6933 3.37365 TIMING: 758800 CPU: 2397.87, 0.00313891/step Wall: 2397.87, 0.00313891/step, 3.69799 hours remaining, 233.839844 MB of memory in use. ENERGY: 758800 3929.6544 20480.3332 14423.4215 253.7942 -203468.6231 2847.4323 0.0000 0.0000 51937.6358 -109596.3516 298.4863 -161533.9875 -109248.9694 298.3607 -58.3761 -37.6501 762147.4349 -15.7039 -15.9142 PRESSURE: 759000 -183.614 -180.211 -8.1478 -180.21 74.069 77.7216 -8.14827 77.7214 -184.447 GPRESSURE: 759000 -100.754 -163.399 -68.9263 -162.614 97.5411 150.112 43.9273 170.35 -204.221 PRESSAVG: 759000 -39.1629 1.59958 30.6041 1.59959 32.1787 -28.5516 30.6041 -28.5515 13.4032 GPRESSAVG: 759000 -38.1662 0.174748 30.2837 3.01706 32.2165 -27.4593 31.9109 -28.8672 12.3756 TIMING: 759000 CPU: 2398.5, 0.00314151/step Wall: 2398.5, 0.00314151/step, 3.70087 hours remaining, 233.839844 MB of memory in use. ENERGY: 759000 4004.5013 20350.4075 14506.9187 235.8819 -203280.5980 2769.0105 0.0000 0.0000 52097.1958 -109316.6823 299.4033 -161413.8780 -108955.4100 298.5660 -97.9976 -69.1444 760206.7756 2.1397 2.1420 PRESSURE: 759200 1.6231 -106.549 163.263 -106.549 -196.625 -100.641 163.262 -100.641 47.5548 GPRESSURE: 759200 39.8786 -103.919 154.355 63.7273 -130.838 -79.9656 222.294 -81.1097 42.1371 PRESSAVG: 759200 -7.84286 2.31299 29.549 2.31305 11.4998 36.0375 29.549 36.0375 7.47649 GPRESSAVG: 759200 -7.49064 5.78631 30.3225 -1.08891 10.6662 34.4723 29.174 37.2737 8.21419 TIMING: 759200 CPU: 2399.13, 0.0031211/step Wall: 2399.13, 0.0031211/step, 3.67666 hours remaining, 233.839844 MB of memory in use. ENERGY: 759200 3911.9527 20578.9313 14533.5385 239.7343 -203295.1216 2570.9998 0.0000 0.0000 52117.4868 -109342.4781 299.5199 -161459.9649 -108980.0050 299.1676 -49.1490 -16.2742 761439.3929 3.7111 3.7966 PRESSURE: 759400 67.0219 98.3663 89.586 98.3663 212.298 66.0901 89.5863 66.0912 -78.7964 GPRESSURE: 759400 84.6881 -61.7435 189.484 73.5602 169.412 92.8781 207.379 -2.24627 26.0248 PRESSAVG: 759400 33.5871 -23.69 -24.4939 -23.69 50.5975 -12.3968 -24.494 -12.3968 4.74645 GPRESSAVG: 759400 32.7469 -27.4081 -23.6994 -24.1042 51.0981 -11.132 -24.745 -11.1171 5.18442 TIMING: 759400 CPU: 2399.75, 0.00312906/step Wall: 2399.75, 0.00312906/step, 3.68586 hours remaining, 233.839844 MB of memory in use. ENERGY: 759400 3951.5632 20473.9035 14525.4356 239.4742 -203329.5183 2873.2825 0.0000 0.0000 51940.1296 -109325.7297 298.5006 -161265.8593 -108965.3304 299.4785 66.8412 93.3751 763594.6017 29.6437 29.6765 PRESSURE: 759600 -142.272 -4.5899 -158.606 -4.59016 -75.4209 236.615 -158.605 236.615 -75.2532 GPRESSURE: 759600 -77.0133 14.5658 -154.412 30.0975 -28.8416 202.524 -184.656 155.127 -117.393 PRESSAVG: 759600 -42.7623 -13.3371 -3.06602 -13.3371 48.7697 -17.7269 -3.06599 -17.7269 5.50687 GPRESSAVG: 759600 -41.5332 -13.642 -4.02395 -12.2843 46.8916 -18.864 -4.39255 -18.7206 6.19625 TIMING: 759600 CPU: 2400.38, 0.00311632/step Wall: 2400.38, 0.00311632/step, 3.67068 hours remaining, 233.839844 MB of memory in use. ENERGY: 759600 3968.3515 20553.4572 14466.9603 249.8230 -203451.0664 2594.3075 0.0000 0.0000 52306.4212 -109311.7457 300.6057 -161618.1669 -108950.5538 299.1619 -97.6485 -74.4158 761741.6314 3.8381 3.8516 PRESSURE: 759800 -321.027 27.5857 -70.6867 27.5855 -16.9297 16.8597 -70.6869 16.8595 -107.494 GPRESSURE: 759800 -275.083 105.206 -60.8459 74.3519 -71.5578 32.6682 66.3696 52.41 -27.4651 PRESSAVG: 759800 -30.9352 24.1848 -6.43303 24.1848 11.3142 -57.5045 -6.43307 -57.5045 -24.0454 GPRESSAVG: 759800 -31.0989 24.5665 -7.49411 23.041 12.2357 -56.9225 -4.56283 -55.6367 -24.7544 TIMING: 759800 CPU: 2401, 0.00312697/step Wall: 2401, 0.00312697/step, 3.68305 hours remaining, 233.839844 MB of memory in use. ENERGY: 759800 3901.8079 20453.0152 14455.1509 232.2758 -202901.0716 2581.1794 0.0000 0.0000 52160.5496 -109117.0927 299.7674 -161277.6423 -108748.1461 299.4294 -148.4835 -124.7020 764840.8556 -14.5555 -14.5392 PRESSURE: 760000 -75.2929 -50.1597 77.1729 -50.1608 -275.607 17.0131 77.1736 17.0126 -34.9466 GPRESSURE: 760000 -64.5544 0.746112 89.7407 66.5359 -226.076 49.3918 9.13637 141.142 -41.6539 PRESSAVG: 760000 -12.7338 13.2347 36.3649 13.2347 4.50953 -15.1083 36.3649 -15.1082 3.57074 GPRESSAVG: 760000 -11.6728 13.4258 37.856 13.2242 4.22284 -15.3658 34.9798 -13.2593 2.88951 TIMING: 760000 CPU: 2401.63, 0.00312529/step Wall: 2401.63, 0.00312529/step, 3.6809 hours remaining, 233.839844 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: 760000 3952.8913 20532.2146 14530.0354 243.8955 -203321.1640 2875.7267 0.0000 0.0000 51922.1596 -109264.2410 298.3974 -161186.4006 -108906.1463 299.4689 -128.6156 -110.7615 762334.0283 -1.5512 -1.5201 PRESSURE: 760200 298.286 122.224 -70.898 122.224 13.5428 -103.013 -70.8985 -103.014 -180.933 GPRESSURE: 760200 302.338 66.6127 -87.0124 136.367 19.0098 -24.9102 -78.8319 -114.313 -111.073 PRESSAVG: 760200 -6.71598 -16.582 27.7848 -16.582 -41.6593 -7.30518 27.7848 -7.30532 18.3505 GPRESSAVG: 760200 -9.15816 -15.0206 28.3207 -15.6577 -40.6607 -8.08919 27.326 -8.66521 19.805 TIMING: 760200 CPU: 2402.25, 0.00313989/step Wall: 2402.25, 0.00313989/step, 3.69792 hours remaining, 233.839844 MB of memory in use. ENERGY: 760200 4005.8465 20402.3852 14578.6699 259.0156 -203340.2454 2909.7018 0.0000 0.0000 52064.6310 -109119.9954 299.2161 -161184.6264 -108759.0353 299.4273 43.6320 70.0918 761540.0505 -10.0083 -10.0046 LDB: ============= START OF LOAD BALANCING ============== 2414.79 LDB: ============== END OF LOAD BALANCING =============== 2414.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2414.79 LDB: ============= START OF LOAD BALANCING ============== 2415.1 LDB: Largest compute 7060 load 0.031035 is 15.9% of average load 0.195292 LDB: Average compute 0.004402 is 2.3% of average load 0.195292 LDB: TIME 2415.11 LOAD: AVG 0.195292 MAX 0.215059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 2415.11 LOAD: AVG 0.195292 MAX 0.215059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.074 MB LDB: TIME 2415.11 LOAD: AVG 0.195292 MAX 0.215059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.074 MB LDB: ============== END OF LOAD BALANCING =============== 2415.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2415.11 PRESSURE: 760400 210.941 199.413 -62.602 199.413 178.116 -222.8 -62.602 -222.8 151.045 GPRESSURE: 760400 225.355 -12.6072 -23.6057 161.517 243.395 -266.079 -52.6675 -237.968 140.639 PRESSAVG: 760400 27.2849 26.4126 15.9725 26.4126 -4.90276 -57.7623 15.9726 -57.7623 -9.43201 GPRESSAVG: 760400 28.2377 25.1297 14.8844 26.3215 -5.4864 -57.9749 14.7232 -60.2314 -10.2514 TIMING: 760400 CPU: 2402.9, 0.00321821/step Wall: 2402.9, 0.00321821/step, 3.78997 hours remaining, 234.148438 MB of memory in use. ENERGY: 760400 4050.3537 20632.1334 14493.7763 258.3146 -203354.4806 2912.8047 0.0000 0.0000 52053.5929 -108953.5051 299.1527 -161007.0980 -108584.0409 299.4018 180.0339 203.1297 760916.7123 4.3167 4.1666 PRESSURE: 760600 -104.945 14.2393 -7.08691 14.2392 -127.697 6.1735 -7.08748 6.17438 166.793 GPRESSURE: 760600 -53.6961 3.17825 24.3793 -8.68642 -88.489 -25.4737 -26.2555 117.943 175.196 PRESSAVG: 760600 29.8053 50.8777 11.8916 50.8777 -46.3434 -33.5866 11.8916 -33.5866 2.56229 GPRESSAVG: 760600 29.2155 51.2537 12.8192 51.1201 -47.1231 -34.588 14.0765 -30.7088 3.85252 TIMING: 760600 CPU: 2403.53, 0.00314891/step Wall: 2403.53, 0.00314891/step, 3.70819 hours remaining, 234.410156 MB of memory in use. ENERGY: 760600 3976.6744 20595.4040 14503.6067 252.6923 -203289.2127 2730.1220 0.0000 0.0000 52138.5349 -109092.1784 299.6409 -161230.7133 -108720.9553 299.6792 -21.9497 11.0035 761777.6603 -4.6586 -4.6850 PRESSURE: 760800 165.294 -16.2172 -79.3991 -16.2173 48.9174 2.06185 -79.3992 2.06128 -133.179 GPRESSURE: 760800 154.923 -26.7369 -110.682 -216.953 116.637 32.9378 -136.449 6.1274 -108.156 PRESSAVG: 760800 44.3622 2.09438 3.63595 2.09436 -23.5956 -39.5806 3.63593 -39.5806 23.1587 GPRESSAVG: 760800 44.1776 1.59352 3.79293 2.87756 -22.1346 -37.8141 3.25881 -41.6914 22.0482 TIMING: 760800 CPU: 2404.16, 0.00314736/step Wall: 2404.16, 0.00314736/step, 3.70619 hours remaining, 234.546875 MB of memory in use. ENERGY: 760800 3936.2907 20570.4381 14532.0555 260.5266 -203228.3885 2832.2487 0.0000 0.0000 52145.5383 -108951.2905 299.6811 -161096.8289 -108593.9340 300.1288 27.0109 54.4680 760865.2632 14.6418 14.6970 PRESSURE: 761000 269.153 -69.9987 145.433 -69.9976 -72.108 84.093 145.432 84.0933 2.34497 GPRESSURE: 761000 234.712 47.8166 96.3914 -18.2227 -64.4 -3.77315 115.832 -1.08563 98.4167 PRESSAVG: 761000 42.2732 0.430932 24.0226 0.430868 -68.3153 -49.1492 24.0225 -49.1493 13.8737 GPRESSAVG: 761000 43.1588 1.46653 22.5445 0.530372 -69.6864 -50.4321 23.2881 -48.0376 13.8628 TIMING: 761000 CPU: 2404.78, 0.00314017/step Wall: 2404.78, 0.00314017/step, 3.69755 hours remaining, 234.546875 MB of memory in use. ENERGY: 761000 3908.4594 20701.7653 14576.0102 264.8418 -203253.4017 2654.7821 0.0000 0.0000 52280.8539 -108866.6890 300.4588 -161147.5429 -108505.7521 300.4574 66.4634 89.5762 761753.5275 -4.0561 -4.2216 PRESSURE: 761200 -512.41 173.885 153.178 173.885 341.033 -134.328 153.177 -134.328 53.9574 GPRESSURE: 761200 -386.503 229.54 125.654 172.789 334.683 -94.3907 187.088 -176.673 30.5072 PRESSAVG: 761200 55.5019 -17.9188 15.0667 -17.9188 -29.5893 -53.3121 15.0666 -53.3121 -21.6557 GPRESSAVG: 761200 53.9231 -20.3589 13.9062 -14.1857 -27.3695 -51.5864 16.9667 -54.8008 -22.3436 TIMING: 761200 CPU: 2405.41, 0.00313677/step Wall: 2405.41, 0.00313677/step, 3.69337 hours remaining, 234.546875 MB of memory in use. ENERGY: 761200 3963.3719 20839.7116 14472.4528 241.0960 -203456.0226 2754.1291 0.0000 0.0000 52250.5741 -108934.6872 300.2848 -161185.2613 -108577.2506 300.3297 -39.1398 -7.1042 761574.2297 1.4190 1.4034 PRESSURE: 761400 97.3765 158.644 -126.561 158.643 -197.688 79.553 -126.561 79.5539 -228.25 GPRESSURE: 761400 140.796 151.496 -108.533 150.645 -102.4 2.34336 -76.0857 127.542 -273.124 PRESSAVG: 761400 13.2603 8.96634 34.8305 8.96634 -32.3758 11.9519 34.8305 11.9519 33.4425 GPRESSAVG: 761400 12.8389 11.0523 34.4003 4.98612 -33.174 9.62293 36.1146 13.2165 34.5159 TIMING: 761400 CPU: 2406.04, 0.00313487/step Wall: 2406.04, 0.00313487/step, 3.69097 hours remaining, 234.546875 MB of memory in use. ENERGY: 761400 4033.6843 20432.1805 14561.1460 240.9295 -203398.3656 2734.8521 0.0000 0.0000 52320.9730 -109074.6001 300.6894 -161395.5731 -108717.3981 299.9853 -109.5204 -78.2428 762103.2652 4.7756 4.7269 PRESSURE: 761600 -12.9533 83.1989 -27.4779 83.1996 270.56 -1.55959 -27.4776 -1.56013 146.823 GPRESSURE: 761600 85.039 -34.0685 -0.157848 180.513 292.067 -37.1946 6.85069 95.3024 123.478 PRESSAVG: 761600 -27.62 17.6298 3.74123 17.6299 46.4419 0.948088 3.74126 0.948122 2.65067 GPRESSAVG: 761600 -24.4531 15.387 5.05 17.9851 45.514 1.12902 2.52959 0.614088 1.17893 TIMING: 761600 CPU: 2406.67, 0.00313685/step Wall: 2406.67, 0.00313685/step, 3.69312 hours remaining, 234.546875 MB of memory in use. ENERGY: 761600 3993.4634 20756.4497 14464.7178 268.7189 -203198.9432 2827.9186 0.0000 0.0000 51884.3063 -109003.3684 298.1798 -160887.6748 -108645.2972 299.5180 134.8100 166.8612 763304.7984 7.1575 7.4133 PRESSURE: 761800 131.582 191.67 90.2027 191.669 -157.692 27.566 90.2025 27.5647 -134.729 GPRESSURE: 761800 242.753 160.219 51.4349 131.115 -135.74 136.774 19.1612 16.1759 -170.625 PRESSAVG: 761800 -87.2191 30.1314 39.5376 30.1313 48.1727 -3.32191 39.5377 -3.32184 18.1642 GPRESSAVG: 761800 -88.1976 32.001 40.0403 29.5403 49.049 -2.37771 41.3343 -2.77898 18.3688 TIMING: 761800 CPU: 2407.29, 0.00312676/step Wall: 2407.29, 0.00312676/step, 3.68106 hours remaining, 234.546875 MB of memory in use. ENERGY: 761800 4055.6397 20517.2292 14486.7885 258.2653 -202931.4690 2673.8604 0.0000 0.0000 51850.6517 -109089.0341 297.9864 -160939.6858 -108732.3892 299.4944 -53.6131 -21.2040 764889.3829 -6.9607 -6.9266 PRESSURE: 762000 -51.2763 -20.2916 -207.168 -20.2911 -97.3752 233.306 -207.168 233.305 115.992 GPRESSURE: 762000 -47.1043 48.1282 -182.623 95.0374 -70.0613 146.339 -143.13 257.543 158.563 PRESSAVG: 762000 8.57911 32.4017 8.16137 32.4017 1.4277 -1.91939 8.1614 -1.9194 -12.4228 GPRESSAVG: 762000 7.8002 32.2501 8.27579 33.3384 1.7481 -0.655015 6.99582 -3.36437 -11.8176 TIMING: 762000 CPU: 2407.92, 0.00314019/step Wall: 2407.92, 0.00314019/step, 3.6967 hours remaining, 234.546875 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: 762000 3947.8909 20648.7462 14489.2212 247.0148 -203115.7979 2694.3952 0.0000 0.0000 52036.2972 -109052.2323 299.0533 -161088.5295 -108694.5225 299.3547 -10.8863 13.7990 763219.9398 -0.8053 -0.7564 PRESSURE: 762200 132.849 23.612 -24.1228 23.6123 -205.174 52.7559 -24.1232 52.7549 -401.53 GPRESSURE: 762200 172.684 -48.0219 5.37336 101.965 -108.972 144.493 -196.025 -17.1685 -450.875 PRESSAVG: 762200 -27.713 12.0299 -59.0504 12.0299 32.984 0.4806 -59.0504 0.480663 1.23343 GPRESSAVG: 762200 -27.5867 12.3012 -59.3434 11.8834 33.6624 0.848918 -60.1821 0.763749 0.272536 TIMING: 762200 CPU: 2408.55, 0.00315924/step Wall: 2408.55, 0.00315924/step, 3.71896 hours remaining, 234.546875 MB of memory in use. ENERGY: 762200 4052.8385 20641.3219 14444.2148 245.2089 -203121.0735 2643.7629 0.0000 0.0000 51982.3195 -109111.4070 298.7431 -161093.7265 -108753.6789 299.7788 -157.9516 -129.0545 762500.0934 2.1681 2.1161 PRESSURE: 762400 14.8354 5.04975 47.6977 5.05058 153.841 -271.4 47.6976 -271.399 -116.219 GPRESSURE: 762400 97.2461 22.4729 10.0581 56.019 129.696 -303.106 41.1591 -175.255 -92.6876 PRESSAVG: 762400 -38.2515 9.37913 -17.1107 9.37915 19.2643 42.6967 -17.1107 42.6968 -6.05564 GPRESSAVG: 762400 -37.5437 8.39158 -16.4475 9.50099 17.4088 41.1945 -17.5539 43.3096 -5.39608 TIMING: 762400 CPU: 2409.18, 0.0031648/step Wall: 2409.18, 0.0031648/step, 3.72532 hours remaining, 234.546875 MB of memory in use. ENERGY: 762400 3987.4319 20527.2349 14488.5812 243.6412 -203224.8269 2725.6193 0.0000 0.0000 52236.7162 -109015.6023 300.2051 -161252.3184 -108650.3928 299.8357 17.4855 44.7516 762345.0243 -8.3476 -8.5103 PRESSURE: 762600 245.522 -165.48 127.587 -165.481 -4.87052 14.3477 127.587 14.3477 -43.3629 GPRESSURE: 762600 273.584 -126.766 69.7123 -153.72 43.7783 52.3568 179.348 70.6112 -33.314 PRESSAVG: 762600 -1.77447 14.6643 -14.4468 14.6643 7.04255 7.66059 -14.4468 7.66068 -8.15458 GPRESSAVG: 762600 -2.31811 17.2001 -15.657 13.8259 8.06449 9.31039 -12.5405 6.6233 -8.61531 TIMING: 762600 CPU: 2409.82, 0.00315806/step Wall: 2409.82, 0.00315806/step, 3.71721 hours remaining, 234.546875 MB of memory in use. ENERGY: 762600 3945.6628 20596.3520 14488.5314 240.5603 -203492.1890 2821.4179 0.0000 0.0000 52192.0773 -109207.5873 299.9486 -161399.6646 -108841.5605 300.0226 65.7629 94.6829 760501.7366 -0.9622 -0.9563 PRESSURE: 762800 314.325 -94.0114 -140.454 -94.011 312.501 114.971 -140.454 114.969 105.184 GPRESSURE: 762800 355.619 7.19102 -199.3 -142.145 365.294 86.6846 -222.526 91.6703 93.9796 PRESSAVG: 762800 -13.009 -73.77 -23.0376 -73.77 54.1238 4.86236 -23.0375 4.86238 15.9862 GPRESSAVG: 762800 -14.4624 -74.1113 -22.4887 -74.4974 54.0253 3.1706 -25.1845 6.909 16.9656 TIMING: 762800 CPU: 2410.44, 0.00314255/step Wall: 2410.44, 0.00314255/step, 3.69878 hours remaining, 234.546875 MB of memory in use. ENERGY: 762800 3985.8367 20467.5782 14491.9977 274.4776 -203200.3265 2880.6972 0.0000 0.0000 52113.9576 -108985.7815 299.4996 -161099.7391 -108623.8199 299.9656 244.0032 271.6310 762471.7267 19.0337 18.8428 PRESSURE: 763000 83.8971 -103.305 48.9271 -103.305 330.473 -222.838 48.927 -222.837 -136.327 GPRESSURE: 763000 100.962 -71.2722 91.4724 -227.732 339.002 -286.146 81.5149 -319.018 -91.3537 PRESSAVG: 763000 -16.4795 -63.2588 -14.4594 -63.2588 45.7429 -27.9593 -14.4594 -27.9592 39.014 GPRESSAVG: 763000 -16.3934 -64.2898 -15.7739 -62.2267 45.5959 -28.4103 -13.1351 -29.9585 39.3866 TIMING: 763000 CPU: 2411.08, 0.00317492/step Wall: 2411.08, 0.00317492/step, 3.7367 hours remaining, 234.546875 MB of memory in use. ENERGY: 763000 3996.0336 20468.5322 14513.0406 264.0439 -203498.0269 3030.6705 0.0000 0.0000 52213.0337 -109012.6725 300.0690 -161225.7061 -108651.4421 300.4770 92.6810 116.2034 762571.8243 22.7591 22.8630 PRESSURE: 763200 276.819 173.082 -8.09647 173.083 223.325 43.3461 -8.09631 43.3463 -129.4 GPRESSURE: 763200 276.373 224.387 -86.2588 67.8439 178.303 17.6376 -44.9626 73.4686 14.5913 PRESSAVG: 763200 3.88896 -37.0707 -27.8285 -37.0707 6.95448 -15.5737 -27.8286 -15.5738 12.3274 GPRESSAVG: 763200 5.06907 -38.2013 -27.0354 -36.2355 6.13482 -14.9206 -25.4853 -14.1762 12.1339 TIMING: 763200 CPU: 2411.71, 0.00315656/step Wall: 2411.71, 0.00315656/step, 3.71492 hours remaining, 234.546875 MB of memory in use. ENERGY: 763200 3967.2446 20616.1256 14479.6914 268.4466 -203054.4352 2608.1182 0.0000 0.0000 52054.9539 -109059.8549 299.1605 -161114.8088 -108700.0492 299.7102 123.5814 156.4224 763511.2047 7.7236 7.7793 PRESSURE: 763400 103.662 150.23 -108.795 150.228 274.272 16.581 -108.794 16.5815 152.796 GPRESSURE: 763400 149.378 262.055 -54.3354 16.4971 287.977 9.40341 -100.161 -15.6401 189.47 PRESSAVG: 763400 -48.8357 -12.7495 -26.341 -12.7496 41.9735 11.0436 -26.3409 11.0437 -23.8256 GPRESSAVG: 763400 -50.6197 -12.306 -25.9768 -12.6016 43.6205 11.0355 -29.8679 11.0754 -23.9211 TIMING: 763400 CPU: 2412.34, 0.00314715/step Wall: 2412.34, 0.00314715/step, 3.70367 hours remaining, 234.546875 MB of memory in use. ENERGY: 763400 3970.1965 20634.6235 14441.5225 252.8099 -203012.8057 2961.6137 0.0000 0.0000 51873.5484 -108878.4912 298.1180 -160752.0396 -108523.7236 299.7051 176.9100 208.9418 762942.5560 -10.2293 -10.3068 PRESSURE: 763600 -332.377 -38.499 -82.5896 -38.4997 -386.945 -66.4723 -82.59 -66.4721 116.259 GPRESSURE: 763600 -268.388 -137.378 -95.2112 -90.8693 -376.696 -58.2901 -41.7624 -93.0746 118.903 PRESSAVG: 763600 -26.8999 2.37677 13.7768 2.37678 21.2181 -47.1356 13.7769 -47.1355 21.7776 GPRESSAVG: 763600 -25.2488 3.09978 14.9205 2.13611 20.6275 -47.004 13.7202 -47.4929 20.9652 TIMING: 763600 CPU: 2412.97, 0.00315164/step Wall: 2412.97, 0.00315164/step, 3.70877 hours remaining, 234.546875 MB of memory in use. ENERGY: 763600 4113.5049 20652.1326 14396.6402 239.4245 -203166.7276 2585.5675 0.0000 0.0000 52106.1197 -109073.3381 299.4546 -161179.4579 -108717.2080 299.4959 -201.0212 -175.3936 763613.1109 5.3653 5.4480 PRESSURE: 763800 -63.151 -106.624 -61.9362 -106.624 -197.724 -11.1554 -61.9357 -11.1551 -394.937 GPRESSURE: 763800 -88.0241 58.2062 -87.2243 -51.3829 -106.31 27.2066 14.4956 68.4749 -377.057 PRESSAVG: 763800 -35.4617 -19.7011 -15.9725 -19.7011 45.533 12.3747 -15.9726 12.3747 3.02644 GPRESSAVG: 763800 -36.1039 -18.9505 -15.5425 -20.9169 44.6501 10.7366 -15.6889 11.8885 4.60993 TIMING: 763800 CPU: 2413.6, 0.00314618/step Wall: 2413.6, 0.00314618/step, 3.70219 hours remaining, 234.546875 MB of memory in use. ENERGY: 763800 3945.6943 20542.0615 14529.9635 268.9971 -202867.5003 2494.6179 0.0000 0.0000 51962.7096 -109123.4564 298.6304 -161086.1660 -108754.5005 299.3703 -218.6039 -190.4639 761632.8152 4.3659 4.3854 PRESSURE: 764000 71.8512 111.372 138.236 111.373 468.577 -3.64932 138.237 -3.64832 314.313 GPRESSURE: 764000 130.256 76.6355 154.618 59.7236 462.531 9.95471 87.7186 -26.5787 356.697 PRESSAVG: 764000 -14.7198 8.94741 -36.7649 8.94744 17.6661 31.416 -36.7649 31.416 -21.3757 GPRESSAVG: 764000 -15.1449 6.28567 -38.0532 9.63513 17.5614 33.086 -35.0049 31.9574 -21.6723 TIMING: 764000 CPU: 2414.23, 0.00313599/step Wall: 2414.23, 0.00313599/step, 3.69002 hours remaining, 234.546875 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: 764000 3971.9117 20499.5875 14506.2876 245.3264 -203389.0910 3083.9340 0.0000 0.0000 52155.3759 -108926.6680 299.7377 -161082.0439 -108574.9155 299.6009 284.9137 316.4944 762930.9120 -6.1431 -6.4186 PRESSURE: 764200 167.889 -96.3456 -178.565 -96.3449 -68.2936 -38.3618 -178.566 -38.3633 -146.29 GPRESSURE: 764200 216.297 -111.543 -193.945 -103.53 24.2702 69.9801 -209.399 -87.4841 -202.043 PRESSAVG: 764200 2.83141 -18.5897 16.7237 -18.5897 36.2556 26.236 16.7237 26.2359 22.8429 GPRESSAVG: 764200 2.0915 -16.8139 17.354 -17.0604 37.3406 24.861 15.7452 24.4771 22.0708 TIMING: 764200 CPU: 2414.86, 0.00314703/step Wall: 2414.86, 0.00314703/step, 3.70283 hours remaining, 234.546875 MB of memory in use. ENERGY: 764200 3939.9270 20473.7555 14450.8691 256.0649 -203408.6382 2911.8629 0.0000 0.0000 52139.2203 -109236.9385 299.6448 -161376.1588 -108873.6275 299.6569 -15.5649 12.8414 763235.5871 20.6433 20.5010 LDB: ============= START OF LOAD BALANCING ============== 2427.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2427.39 LDB: =============== DONE WITH MIGRATION ================ 2427.39 LDB: ============= START OF LOAD BALANCING ============== 2427.7 LDB: Largest compute 7060 load 0.031908 is 16.3% of average load 0.195350 LDB: Average compute 0.004401 is 2.3% of average load 0.195350 LDB: TIME 2427.71 LOAD: AVG 0.19535 MAX 0.217117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.922 MB LDB: TIME 2427.71 LOAD: AVG 0.19535 MAX 0.217117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.922 MB LDB: TIME 2427.71 LOAD: AVG 0.19535 MAX 0.217117 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.922 MB LDB: ============== END OF LOAD BALANCING =============== 2427.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2427.71 PRESSURE: 764400 -186.485 45.198 -63.1647 45.1978 322.641 -45.82 -63.1643 -45.8205 408.838 GPRESSURE: 764400 -121.717 -24.5452 8.18299 -26.0072 368.322 38.7188 -184.277 -89.3255 388.739 PRESSAVG: 764400 -16.7501 -64.9101 -11.3519 -64.9101 2.89588 2.37148 -11.352 2.37143 -24.3659 GPRESSAVG: 764400 -16.4453 -63.5837 -11.1245 -65.0459 2.51834 4.63569 -13.1412 2.49367 -24.188 TIMING: 764400 CPU: 2415.5, 0.00320424/step Wall: 2415.5, 0.00320424/step, 3.76996 hours remaining, 234.265625 MB of memory in use. ENERGY: 764400 3963.6170 20551.1130 14526.5840 244.0834 -203862.7583 3075.3940 0.0000 0.0000 52420.1136 -109081.8533 301.2591 -161501.9670 -108719.5114 299.4332 181.6648 211.7813 763394.3853 -12.7400 -12.7050 PRESSURE: 764600 372.646 8.48453 -7.50325 8.48444 245.619 180.732 -7.5039 180.731 171.634 GPRESSURE: 764600 384.702 34.7436 -6.20163 -46.048 306.959 123.714 -71.7423 194.535 191.906 PRESSAVG: 764600 -33.3501 -72.8573 53.601 -72.8573 45.2886 -28.9785 53.6009 -28.9786 -6.34609 GPRESSAVG: 764600 -32.4481 -74.5592 53.2812 -73.5861 45.359 -31.4103 56.5519 -26.9985 -6.95782 TIMING: 764600 CPU: 2416.13, 0.00314833/step Wall: 2416.13, 0.00314833/step, 3.70401 hours remaining, 234.335938 MB of memory in use. ENERGY: 764600 3969.7923 20417.7353 14512.4736 256.7384 -203328.4389 2716.6021 0.0000 0.0000 52297.8560 -109157.2412 300.5565 -161455.0972 -108801.1048 299.6062 263.2998 294.5221 760148.3275 1.8641 1.9844 PRESSURE: 764800 -112.866 247.669 44.4369 247.67 376.714 118.414 44.4374 118.415 -374.954 GPRESSURE: 764800 -67.6378 192.023 12.0594 141.237 376.089 93.5666 44.2549 105.372 -341.982 PRESSAVG: 764800 -17.3321 -16.304 -32.0702 -16.3041 4.72955 41.7067 -32.0702 41.7068 7.6603 GPRESSAVG: 764800 -16.8881 -16.9487 -32.3687 -14.3279 3.90863 42.7111 -33.7695 39.4605 8.08321 TIMING: 764800 CPU: 2416.76, 0.00317498/step Wall: 2416.76, 0.00317497/step, 3.73518 hours remaining, 234.335938 MB of memory in use. ENERGY: 764800 3995.9752 20539.4106 14574.4665 242.8003 -203095.1104 2644.3235 0.0000 0.0000 51985.3761 -109112.7581 298.7607 -161098.1342 -108756.2614 299.6534 -37.0356 -11.1770 762365.9626 -1.6474 -1.6321 PRESSURE: 765000 -5.37668 139.015 103.679 139.015 -185.517 155.492 103.678 155.491 -144.75 GPRESSURE: 765000 46.1506 83.9648 89.5849 136.832 -106.976 201.842 -57.7719 40.0901 -166.536 PRESSAVG: 765000 -44.9178 -35.3126 27.724 -35.3126 49.8749 -49.6617 27.724 -49.6617 0.912401 GPRESSAVG: 765000 -44.8911 -36.5714 26.7993 -35.4418 50.387 -50.1432 27.8937 -48.3844 1.16133 TIMING: 765000 CPU: 2417.39, 0.00313337/step Wall: 2417.39, 0.00313337/step, 3.68607 hours remaining, 234.335938 MB of memory in use. ENERGY: 765000 4001.7738 20487.0898 14419.4369 260.7141 -202996.3603 2493.7566 0.0000 0.0000 52241.4897 -109092.0994 300.2326 -161333.5891 -108722.6654 299.4855 -111.8811 -75.7871 764066.2719 1.9565 2.2191 PRESSURE: 765200 -338.048 130.775 221.017 130.777 -349.943 6.97284 221.017 6.97334 71.7547 GPRESSURE: 765200 -281.529 246.709 214.508 135.088 -284.765 -17.3594 98.23 113.586 54.7224 PRESSAVG: 765200 -19.8763 54.1105 56.9152 54.1106 -3.75546 -36.1177 56.9152 -36.1177 -2.74995 GPRESSAVG: 765200 -20.5526 54.9218 56.8232 53.0551 -3.5851 -36.8171 58.7269 -35.0669 -2.45104 TIMING: 765200 CPU: 2418.02, 0.00313687/step Wall: 2418.02, 0.00313687/step, 3.69 hours remaining, 234.335938 MB of memory in use. ENERGY: 765200 3967.4504 20604.6964 14568.9501 237.9138 -203110.2038 2755.8017 0.0000 0.0000 52074.3642 -108901.0272 299.2721 -160975.3913 -108554.8225 299.8390 -205.4122 -170.5239 764849.9613 -8.7939 -8.8629 PRESSURE: 765400 46.011 -100.335 -106.345 -100.335 -480.89 6.50336 -106.345 6.50206 182.715 GPRESSURE: 765400 45.1248 -23.4469 -70.7358 -77.8913 -358.403 74.9375 -66.6689 -5.71523 145.571 PRESSAVG: 765400 -33.2569 36.5102 -0.123054 36.5102 4.32983 6.15041 -0.123024 6.15043 -6.91697 GPRESSAVG: 765400 -32.0926 37.4742 1.45275 36.4203 4.0971 7.19898 -1.78265 5.87001 -8.06821 TIMING: 765400 CPU: 2418.65, 0.0031439/step Wall: 2418.65, 0.0031439/step, 3.6981 hours remaining, 234.335938 MB of memory in use. ENERGY: 765400 3957.3433 20681.4498 14598.7435 243.5300 -203035.0512 2622.1054 0.0000 0.0000 52007.7110 -108924.1683 298.8890 -160931.8793 -108568.7803 299.7963 -84.0547 -55.9025 764173.7175 -11.9480 -12.0212 PRESSURE: 765600 -278.002 -195.53 -93.4444 -195.531 177.736 203.533 -93.4448 203.534 229.053 GPRESSURE: 765600 -127.857 -104.191 -104.719 -206.941 179.814 158.929 -93.951 124.005 161.175 PRESSAVG: 765600 -46.3093 -71.4461 42.4551 -71.4461 69.0159 44.2748 42.4551 44.2748 -7.19769 GPRESSAVG: 765600 -47.2568 -70.5335 43.2821 -69.5436 70.2837 42.9602 42.0281 43.3619 -7.21013 TIMING: 765600 CPU: 2419.28, 0.00315178/step Wall: 2419.28, 0.00315178/step, 3.70719 hours remaining, 234.335938 MB of memory in use. ENERGY: 765600 3952.3068 20701.4389 14528.4902 240.8069 -203238.7766 2815.9387 0.0000 0.0000 52021.3370 -108978.4581 298.9673 -160999.7951 -108623.3051 300.3406 42.9291 71.0441 763280.4867 5.1696 5.2723 PRESSURE: 765800 172.929 0.960372 -177.277 0.959886 -393.861 -47.7085 -177.278 -47.7087 -416.796 GPRESSURE: 765800 152.615 -70.006 -168.253 90.0343 -353.796 -43.5499 -9.51705 -7.44669 -334.031 PRESSAVG: 765800 -26.2429 -22.1589 15.8431 -22.1589 7.29634 27.7043 15.8432 27.7042 -10.4862 GPRESSAVG: 765800 -25.2898 -23.0423 14.7422 -24.5289 5.4629 27.0544 17.0618 27.1214 -9.65184 TIMING: 765800 CPU: 2419.91, 0.00315436/step Wall: 2419.91, 0.00315436/step, 3.71006 hours remaining, 234.335938 MB of memory in use. ENERGY: 765800 3995.0435 20420.3384 14575.2227 236.9259 -203089.3523 2513.5203 0.0000 0.0000 52269.9329 -109078.3687 300.3960 -161348.3015 -108710.9232 299.8078 -212.5759 -178.4037 764701.2344 -9.8109 -9.8262 PRESSURE: 766000 -203.928 98.1579 270.556 98.1575 308.98 -20.4408 270.555 -20.4411 65.9719 GPRESSURE: 766000 -77.4554 55.878 225.559 -0.877751 336.613 56.6582 193.559 58.3677 -1.18642 PRESSAVG: 766000 2.34067 -17.6111 -25.9705 -17.6111 18.0825 0.130393 -25.9705 0.1304 8.90732 GPRESSAVG: 766000 3.1987 -18.3715 -25.6452 -19.7108 17.1887 1.03651 -26.4144 2.36533 8.99037 TIMING: 766000 CPU: 2420.54, 0.0031552/step Wall: 2420.54, 0.0031552/step, 3.71086 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: 766000 4045.3152 20521.6845 14481.5956 264.4470 -203511.7173 2728.4304 0.0000 0.0000 52151.9371 -109318.3075 299.7179 -161470.2446 -108957.1557 299.2121 57.0079 85.9904 763246.0904 9.7768 9.7926 PRESSURE: 766200 -74.0686 -11.4262 -66.7492 -11.4264 111.968 83.7727 -66.7487 83.7729 -26.1063 GPRESSURE: 766200 -66.1858 5.01218 -19.0095 139.281 132.712 148.612 -29.3116 221.808 13.7154 PRESSAVG: 766200 -33.0296 -40.9598 -39.4889 -40.9598 10.1941 3.52634 -39.4889 3.52634 -14.8871 GPRESSAVG: 766200 -33.7162 -42.0384 -38.8779 -36.2568 11.5799 4.38142 -39.771 2.31081 -14.7879 TIMING: 766200 CPU: 2421.16, 0.00313789/step Wall: 2421.16, 0.00313789/step, 3.69033 hours remaining, 234.335938 MB of memory in use. ENERGY: 766200 3964.7547 20557.3245 14475.4428 246.9805 -203352.3490 2865.0576 0.0000 0.0000 52071.1624 -109171.6265 299.2537 -161242.7889 -108803.7751 298.9009 3.9309 26.7473 763170.7709 -12.5742 -12.3081 PRESSURE: 766400 474.558 -9.89056 -5.89262 -9.89099 93.4053 -37.4644 -5.89252 -37.464 225.629 GPRESSURE: 766400 459.747 -8.99745 7.78871 22.9263 134.149 -44.1918 23.7831 -123.131 293.984 PRESSAVG: 766400 6.41565 -26.4446 5.58159 -26.4446 60.2618 -14.8675 5.58166 -14.8674 5.14421 GPRESSAVG: 766400 6.4779 -26.014 5.07995 -28.6301 60.2977 -15.8664 4.55092 -17.4265 5.64288 TIMING: 766400 CPU: 2421.8, 0.00315241/step Wall: 2421.8, 0.00315241/step, 3.70723 hours remaining, 234.335938 MB of memory in use. ENERGY: 766400 3948.7230 20493.8551 14516.9787 261.1553 -203643.3224 2926.1654 0.0000 0.0000 52154.1722 -109342.2728 299.7307 -161496.4449 -108975.6847 299.4720 264.5308 295.9598 763548.2895 23.9405 24.1395 PRESSURE: 766600 198.98 42.5337 -9.38192 42.5331 -33.8615 125.234 -9.38262 125.233 -245.129 GPRESSURE: 766600 212.66 70.2844 26.9439 104.274 58.4058 119.699 76.464 150.23 -263.593 PRESSAVG: 766600 24.3592 69.1763 8.93913 69.1762 -6.77183 -8.7545 8.93921 -8.75454 -6.43911 GPRESSAVG: 766600 23.1975 70.9627 9.36935 71.0451 -5.57836 -9.84296 11.5986 -6.67773 -6.10793 TIMING: 766600 CPU: 2422.43, 0.00315944/step Wall: 2422.43, 0.00315944/step, 3.71533 hours remaining, 234.335938 MB of memory in use. ENERGY: 766600 3952.4720 20533.4736 14515.3646 246.4886 -203380.1894 2799.8162 0.0000 0.0000 51848.9239 -109483.6505 297.9765 -161332.5744 -109127.9941 298.7117 -26.6701 2.4911 762349.8384 3.7161 3.8371 PRESSURE: 766800 54.6424 156.72 -295.917 156.72 -126.685 -107.572 -295.917 -107.573 220.923 GPRESSURE: 766800 200.339 107.896 -329.496 84.931 -181.236 -135.828 -228.266 51.9171 224.5 PRESSAVG: 766800 47.9595 -12.2282 29.0254 -12.2282 -77.6173 32.1386 29.0255 32.1386 -21.0869 GPRESSAVG: 766800 49.5276 -11.804 29.343 -13.1201 -77.9153 32.3767 28.2383 31.5727 -22.1891 TIMING: 766800 CPU: 2423.06, 0.00314004/step Wall: 2423.06, 0.00314004/step, 3.69234 hours remaining, 234.335938 MB of memory in use. ENERGY: 766800 3922.1869 20578.6897 14478.2631 245.5206 -203180.7451 2682.0017 0.0000 0.0000 51864.8399 -109409.2432 298.0679 -161274.0831 -109051.1360 298.3420 49.6266 81.2011 761422.9947 -16.9149 -16.8589 PRESSURE: 767000 71.9809 40.5042 -314.614 40.5035 294.983 60.6419 -314.614 60.6425 151.14 GPRESSURE: 767000 155.771 58.5883 -209.139 24.2155 283.948 89.4506 -276.566 56.3518 164.416 PRESSAVG: 767000 36.6255 5.15346 15.7635 5.15344 -44.1867 34.0927 15.7634 34.0926 2.02562 GPRESSAVG: 767000 36.452 4.15368 15.8444 5.37844 -44.3027 35.9837 16.6545 31.8652 2.22478 TIMING: 767000 CPU: 2423.68, 0.00312874/step Wall: 2423.68, 0.00312874/step, 3.67888 hours remaining, 234.335938 MB of memory in use. ENERGY: 767000 3933.8567 20643.4301 14450.5369 224.7294 -203285.5455 2744.8889 0.0000 0.0000 51986.4846 -109301.6190 298.7670 -161288.1036 -108930.0499 299.0218 172.7013 201.3781 761334.6478 -1.8452 -1.8753 PRESSURE: 767200 -205.67 -65.512 248.369 -65.5126 -315.913 143.828 248.369 143.828 -167.831 GPRESSURE: 767200 -236.716 12.9122 282.438 -106.851 -249.768 140.487 226.093 173.283 -121.906 PRESSAVG: 767200 -42.1991 15.6161 -11.0836 15.6161 47.4074 15.0152 -11.0837 15.0152 -14.6005 GPRESSAVG: 767200 -42.2603 14.37 -11.8063 14.6178 46.8396 14.0212 -12.7584 17.7764 -13.8688 TIMING: 767200 CPU: 2424.31, 0.0031399/step Wall: 2424.31, 0.0031399/step, 3.69182 hours remaining, 234.335938 MB of memory in use. ENERGY: 767200 3992.4931 20425.0588 14533.6800 243.4063 -203229.9356 2590.1422 0.0000 0.0000 52096.9477 -109348.2075 299.4019 -161445.1552 -108983.0819 298.8335 -229.8049 -202.7966 762954.9860 -3.1307 -3.0965 PRESSURE: 767400 -38.9436 189.067 -42.9618 189.067 -213.46 24.1447 -42.9618 24.1445 -58.7307 GPRESSURE: 767400 111.702 139.07 66.0682 135.048 -286.26 43.0442 -86.4793 16.9493 -46.9122 PRESSAVG: 767400 24.3781 2.46908 -59.4559 2.46911 -16.4028 -2.17063 -59.456 -2.1706 -26.4738 GPRESSAVG: 767400 24.8007 3.64486 -58.736 2.99415 -16.0589 -2.52154 -59.1662 -3.33443 -26.9703 TIMING: 767400 CPU: 2424.94, 0.00314827/step Wall: 2424.94, 0.00314827/step, 3.70149 hours remaining, 234.335938 MB of memory in use. ENERGY: 767400 3925.4226 20539.0426 14408.0112 245.2183 -202677.1536 2371.2857 0.0000 0.0000 51966.3457 -109221.8275 298.6513 -161188.1732 -108866.3615 298.8158 -103.7116 -73.8234 764399.5724 -6.1662 -6.0762 PRESSURE: 767600 -259.755 -88.342 -184.328 -88.3425 36.2933 224.145 -184.328 224.146 -367.186 GPRESSURE: 767600 -173.751 -77.3158 -207.593 -108.212 28.4089 190.938 -284.877 168.94 -361.263 PRESSAVG: 767600 41.8953 26.5989 -40.0863 26.5989 -46.059 -30.3141 -40.0862 -30.3141 -24.6679 GPRESSAVG: 767600 40.8635 26.8106 -42.7562 26.2778 -45.419 -29.4785 -39.8622 -30.4098 -24.3567 TIMING: 767600 CPU: 2425.57, 0.00314825/step Wall: 2425.57, 0.00314825/step, 3.7013 hours remaining, 234.335938 MB of memory in use. ENERGY: 767600 3919.1695 20678.3328 14424.1620 246.1345 -203280.0014 2722.8612 0.0000 0.0000 52133.2418 -109156.0996 299.6105 -161289.3413 -108797.1836 298.8575 -196.8823 -168.8683 763377.9615 -9.6105 -9.6374 PRESSURE: 767800 -4.18036 242.734 -117.954 242.735 -158.216 67.7429 -117.954 67.7419 -191.658 GPRESSURE: 767800 -43.6457 247.917 -100.216 191.33 -130.26 123.673 -140.998 117.872 -120.907 PRESSAVG: 767800 -31.495 15.7212 -33.6632 15.7212 -8.02661 -19.0125 -33.6632 -19.0125 20.8506 GPRESSAVG: 767800 -31.7675 14.5124 -31.7622 17.2431 -7.41544 -20.0914 -33.5312 -19.3288 20.3464 TIMING: 767800 CPU: 2426.2, 0.0031548/step Wall: 2426.2, 0.0031548/step, 3.70881 hours remaining, 234.335938 MB of memory in use. ENERGY: 767800 3982.4556 20737.8388 14449.3293 236.3192 -203066.6807 2577.7406 0.0000 0.0000 51893.0750 -109189.9221 298.2302 -161082.9972 -108829.0843 299.1188 -118.0179 -98.2707 763971.7374 -6.2236 -6.2788 PRESSURE: 768000 -96.8766 -121.134 -40.0455 -121.134 380.204 24.5767 -40.0452 24.5763 426.603 GPRESSURE: 768000 -22.5333 -210.954 -77.4767 -143.037 421.725 -3.73459 -40.1234 79.3093 373.082 PRESSAVG: 768000 -70.3311 45.4267 15.8323 45.4268 41.245 9.06974 15.8322 9.06972 -1.58849 GPRESSAVG: 768000 -68.8395 45.5951 15.4745 43.6653 39.3383 9.62006 15.7027 8.73108 -1.55411 TIMING: 768000 CPU: 2426.83, 0.00314209/step Wall: 2426.83, 0.00314209/step, 3.6937 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: 768000 3955.5406 20597.0397 14509.1371 251.0898 -203472.2343 2905.6025 0.0000 0.0000 52036.8378 -109216.9868 299.0564 -161253.8246 -108850.7652 299.2128 236.6434 257.4246 763219.2652 -10.2249 -10.3518 PRESSURE: 768200 364.45 122.704 -12.946 122.705 -150.708 -125.913 -12.9455 -125.913 -319.247 GPRESSURE: 768200 380.252 93.0479 1.52615 239.646 -120.606 -102.404 12.1308 -79.2591 -278.923 PRESSAVG: 768200 -23.7093 69.6943 5.70623 69.6944 21.8659 -56.8674 5.70625 -56.8674 -3.01922 GPRESSAVG: 768200 -23.3216 71.8549 6.31987 70.3385 22.0352 -57.3477 4.58386 -57.0739 -3.05127 TIMING: 768200 CPU: 2427.46, 0.00315405/step Wall: 2427.46, 0.00315405/step, 3.70759 hours remaining, 234.335938 MB of memory in use. ENERGY: 768200 3953.0124 20568.0700 14410.6839 257.2922 -203072.4171 2590.9977 0.0000 0.0000 52258.7988 -109033.5621 300.3320 -161292.3609 -108675.4039 298.9841 -35.1681 -6.4253 762944.1534 -1.6209 -1.4459 LDB: ============= START OF LOAD BALANCING ============== 2439.99 LDB: ============== END OF LOAD BALANCING =============== 2439.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2439.99 LDB: ============= START OF LOAD BALANCING ============== 2440.31 LDB: Largest compute 7060 load 0.031292 is 16.0% of average load 0.195298 LDB: Average compute 0.004399 is 2.3% of average load 0.195298 LDB: TIME 2440.31 LOAD: AVG 0.195298 MAX 0.216011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.492 MB LDB: TIME 2440.31 LOAD: AVG 0.195298 MAX 0.216011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: TIME 2440.31 LOAD: AVG 0.195298 MAX 0.216011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.695 MB LDB: ============== END OF LOAD BALANCING =============== 2440.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2440.32 PRESSURE: 768400 -202.209 -75.8548 -159.33 -75.855 -82.1876 130.143 -159.33 130.142 160.128 GPRESSURE: 768400 -159.986 -62.1234 -214.098 26.7048 -36.7171 142.77 -140.277 162.052 165.226 PRESSAVG: 768400 -0.313448 -5.59132 25.5547 -5.59126 -27.9406 -19.7358 25.5547 -19.7358 8.30817 GPRESSAVG: 768400 -1.93038 -6.90409 24.4708 -4.16428 -26.313 -20.1064 28.1766 -17.9533 8.41381 TIMING: 768400 CPU: 2428.1, 0.00321901/step Wall: 2428.1, 0.00321901/step, 3.78377 hours remaining, 232.664062 MB of memory in use. ENERGY: 768400 4000.5314 20462.9488 14455.1578 236.0118 -203086.5250 2616.9490 0.0000 0.0000 52271.7368 -109043.1895 300.4064 -161314.9262 -108677.6844 299.5546 -41.4230 -10.4926 763049.6575 -6.6486 -6.6099 PRESSURE: 768600 179.738 92.644 -131.342 92.6438 -178.522 74.1353 -131.341 74.1345 -8.73038 GPRESSURE: 768600 115.133 -7.63924 -162.234 76.9493 -47.298 127.21 -139.976 -26.6226 21.4995 PRESSAVG: 768600 -29.2121 -5.81818 -57.376 -5.81814 -19.2225 37.2672 -57.3761 37.2672 -7.69473 GPRESSAVG: 768600 -28.6719 -6.17301 -57.1396 -6.81575 -18.9271 37.3043 -59.5043 36.3569 -8.37037 TIMING: 768600 CPU: 2428.73, 0.00316078/step Wall: 2428.73, 0.00316078/step, 3.71515 hours remaining, 232.867188 MB of memory in use. ENERGY: 768600 4026.2585 20528.7403 14486.7407 256.8914 -203216.4157 2548.6104 0.0000 0.0000 52452.5503 -108916.6242 301.4455 -161369.1744 -108544.5527 299.9288 -2.5050 29.7781 762326.4863 -18.7098 -18.6565 PRESSURE: 768800 -111.363 -165.582 -44.2231 -165.582 -116.057 -49.707 -44.2232 -49.7077 -199.12 GPRESSURE: 768800 -58.7823 -58.3191 -68.8007 -97.5873 -127.941 -156.827 59.578 96.0108 -144.066 PRESSAVG: 768800 -15.5466 15.3713 18.8687 15.3713 -1.46889 6.43388 18.8686 6.43387 6.46301 GPRESSAVG: 768800 -15.969 16.0955 18.8951 14.3392 -3.16827 4.79289 21.35 7.55033 7.97347 TIMING: 768800 CPU: 2429.36, 0.00314542/step Wall: 2429.36, 0.00314542/step, 3.69692 hours remaining, 232.867188 MB of memory in use. ENERGY: 768800 4044.7218 20609.0692 14502.9188 261.9363 -203326.9890 2735.6156 0.0000 0.0000 52203.9682 -108968.7591 300.0169 -161172.7273 -108603.5645 300.2618 -142.1801 -110.2631 763138.3387 -3.5175 -3.7213 PRESSURE: 769000 -17.816 103.415 -102.873 103.415 -253.4 -72.3747 -102.873 -72.3747 -227.23 GPRESSURE: 769000 52.2623 47.7782 -140.459 129.513 -234.455 -47.4927 -192.76 -58.656 -232.76 PRESSAVG: 769000 10.1126 -46.3548 13.3717 -46.3548 2.31309 22.8721 13.3718 22.8721 13.513 GPRESSAVG: 769000 11.8462 -47.8149 13.5414 -45.1239 2.27636 24.9012 10.4594 22.0053 11.8329 TIMING: 769000 CPU: 2430, 0.00317037/step Wall: 2430, 0.00317037/step, 3.72606 hours remaining, 232.867188 MB of memory in use. ENERGY: 769000 4090.3243 20510.8787 14454.2304 269.6449 -203193.6339 2750.7484 0.0000 0.0000 52265.2893 -108852.5180 300.3693 -161117.8073 -108486.6074 299.3906 -166.1488 -138.3177 764837.6397 8.6462 8.6518 PRESSURE: 769200 166.551 189.273 -144.252 189.272 -369.661 77.1744 -144.251 77.1753 156.13 GPRESSURE: 769200 133.143 104.61 -142.163 104.424 -255.775 77.6657 21.1229 162.868 147.368 PRESSAVG: 769200 -25.0664 -51.6555 -19.2357 -51.6556 19.5305 7.52464 -19.2356 7.52465 -15.9454 GPRESSAVG: 769200 -25.6217 -50.6058 -19.0435 -53.5361 19.5323 6.07295 -18.3182 7.39935 -14.9431 TIMING: 769200 CPU: 2430.63, 0.00317887/step Wall: 2430.63, 0.00317887/step, 3.73588 hours remaining, 232.867188 MB of memory in use. ENERGY: 769200 3999.6553 20661.9073 14463.5081 258.1030 -203310.2443 2874.4774 0.0000 0.0000 52050.6685 -109001.9247 299.1359 -161052.5932 -108642.6771 299.8479 -15.6601 8.2454 763933.0041 -7.1604 -7.0108 PRESSURE: 769400 172.323 -19.209 218.127 -19.2092 96.6348 48.9915 218.126 48.9917 -41.7706 GPRESSURE: 769400 174.941 13.1418 196.721 -103.869 97.241 85.227 181.594 138.404 42.7481 PRESSAVG: 769400 -16.4394 -57.407 -53.7826 -57.407 62.8948 31.0345 -53.7826 31.0345 20.9414 GPRESSAVG: 769400 -16.5864 -58.0902 -53.7552 -56.3267 63.2583 31.6009 -53.0162 30.5711 20.7723 TIMING: 769400 CPU: 2431.27, 0.0031905/step Wall: 2431.27, 0.0031905/step, 3.74936 hours remaining, 232.867188 MB of memory in use. ENERGY: 769400 4007.2421 20619.3723 14525.6608 247.2435 -203321.6051 2912.1203 0.0000 0.0000 52087.0037 -108922.9624 299.3447 -161009.9661 -108569.0871 299.9680 75.7289 104.9768 762521.2191 22.4656 22.4814 PRESSURE: 769600 -156.479 -114.263 73.4981 -114.262 -477.604 143.194 73.4982 143.193 211.397 GPRESSURE: 769600 -93.4313 -57.3763 173.03 -62.7385 -413.156 68.1503 95.7008 15.519 184.946 PRESSAVG: 769600 -9.06556 -35.3066 28.5728 -35.3066 24.6347 18.0637 28.5729 18.0637 -20.8932 GPRESSAVG: 769600 -9.93369 -34.5049 28.836 -33.2831 25.3621 17.8675 28.6944 18.5443 -20.556 TIMING: 769600 CPU: 2431.91, 0.00318389/step Wall: 2431.91, 0.00318389/step, 3.74143 hours remaining, 232.867188 MB of memory in use. ENERGY: 769600 4036.8317 20617.6353 14475.3385 251.9606 -203187.7513 2726.5066 0.0000 0.0000 52175.4456 -108904.0330 299.8530 -161079.4786 -108540.6813 299.8971 -140.8951 -107.2140 762481.9209 -1.7747 -1.7092 PRESSURE: 769800 -44.7201 133.522 38.0784 133.522 -188.869 -25.5316 38.0779 -25.5315 -108.222 GPRESSURE: 769800 -23.8939 136.532 85.7864 97.3406 -166.07 -92.5091 -66.4636 -12.3489 -32.9534 PRESSAVG: 769800 8.904 -28.3842 -38.3723 -28.3843 13.7464 24.9162 -38.3722 24.9163 -19.5384 GPRESSAVG: 769800 8.4036 -27.8692 -37.651 -30.0898 14.2741 24.2741 -37.9413 24.1662 -20.2117 TIMING: 769800 CPU: 2432.54, 0.00315043/step Wall: 2432.54, 0.00315043/step, 3.70193 hours remaining, 232.867188 MB of memory in use. ENERGY: 769800 4102.1822 20619.5385 14433.9115 251.9614 -203261.0764 2647.6111 0.0000 0.0000 52274.0949 -108931.7769 300.4199 -161205.8718 -108562.7061 300.2382 -113.9369 -74.3058 761655.8034 1.0373 0.8220 PRESSURE: 770000 -22.5405 19.7848 -54.4134 19.7851 -75.4313 -124.261 -54.4139 -124.262 -163.151 GPRESSURE: 770000 -37.6046 36.149 47.0484 19.0591 -103.139 -139.385 -117.002 -46.3436 -36.084 PRESSAVG: 770000 -30.112 20.8478 -31.8205 20.8478 28.0681 24.4221 -31.8205 24.422 -19.4793 GPRESSAVG: 770000 -29.3763 23.1521 -31.5733 20.6343 26.895 24.3903 -32.6496 27.992 -18.7967 TIMING: 770000 CPU: 2433.18, 0.00318588/step Wall: 2433.18, 0.00318588/step, 3.74341 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: 770000 4019.0928 20688.0850 14489.2820 246.9658 -203567.9592 2857.0512 0.0000 0.0000 52212.3665 -109055.1159 300.0652 -161267.4824 -108698.5901 299.8037 -87.0411 -58.9426 762908.7281 -7.1744 -7.0927 PRESSURE: 770200 -92.0885 130.9 55.2069 130.902 -195.989 -137.144 55.2071 -137.145 -97.0111 GPRESSURE: 770200 -125.45 184.689 16.3666 51.4275 -127.164 -115.253 88.4357 -156.122 -54.2039 PRESSAVG: 770200 39.735 18.1909 55.5815 18.1909 -44.952 41.4547 55.5814 41.4547 -3.89276 GPRESSAVG: 770200 40.3719 16.3976 54.6031 17.6557 -44.5171 41.7423 55.9656 39.3261 -4.98592 TIMING: 770200 CPU: 2433.81, 0.00315549/step Wall: 2433.81, 0.00315549/step, 3.70753 hours remaining, 232.867188 MB of memory in use. ENERGY: 770200 4060.8852 20535.2446 14562.9742 237.9944 -203349.0920 2893.7461 0.0000 0.0000 52182.7866 -108875.4608 299.8952 -161058.2474 -108502.6602 300.1139 -128.3629 -102.2728 764166.4061 -3.0366 -3.0437 PRESSURE: 770400 81.5847 -4.71807 -337.743 -4.71803 -250.024 114.368 -337.743 114.369 214.241 GPRESSURE: 770400 145.496 -24.2202 -369.172 -40.7659 -181.021 160.597 -339.331 42.7318 179.841 PRESSAVG: 770400 38.8577 -6.21153 22.1189 -6.21156 -46.3671 -4.56347 22.1188 -4.56345 0.987801 GPRESSAVG: 770400 38.087 -6.64764 21.5662 -7.08907 -46.5344 -4.12328 22.2172 -5.39566 1.94858 TIMING: 770400 CPU: 2434.44, 0.00315679/step Wall: 2434.44, 0.00315679/step, 3.70888 hours remaining, 232.867188 MB of memory in use. ENERGY: 770400 4071.6056 20623.3819 14524.7966 270.8023 -203374.4447 2860.7019 0.0000 0.0000 52153.4029 -108869.7536 299.7263 -161023.1565 -108504.0641 300.1831 15.2674 48.1054 763753.7589 -2.1738 -2.1663 PRESSURE: 770600 -93.0974 59.5801 -181.531 59.5807 105.905 -317.158 -181.532 -317.159 247.257 GPRESSURE: 770600 -1.00028 39.3306 -168.897 32.866 121.433 -371.212 -123.835 -354.982 223.555 PRESSAVG: 770600 1.90411 -23.7151 -37.6033 -23.7152 -44.6329 30.9076 -37.6033 30.9076 -3.5515 GPRESSAVG: 770600 2.42009 -23.424 -36.9286 -22.4703 -43.9024 31.5765 -37.7794 30.0129 -4.7602 TIMING: 770600 CPU: 2435.07, 0.00316943/step Wall: 2435.07, 0.00316943/step, 3.72355 hours remaining, 232.867188 MB of memory in use. ENERGY: 770600 4002.3980 20893.3093 14471.5681 235.8091 -203341.8542 2933.1526 0.0000 0.0000 51926.1957 -108879.4214 298.4206 -160805.6171 -108536.7099 299.7038 86.6883 114.6626 763399.1614 -15.4268 -15.4142 PRESSURE: 770800 -144.086 39.7696 160.399 39.7696 -218.01 -37.9297 160.399 -37.9294 200.276 GPRESSURE: 770800 -90.4821 80.3077 126.11 17.2795 -127.202 -39.8893 173.273 58.9574 161.401 PRESSAVG: 770800 -31.494 33.8556 26.8294 33.8556 27.1577 -39.5404 26.8294 -39.5404 -22.3997 GPRESSAVG: 770800 -30.7631 32.4066 26.888 35.6064 26.7923 -39.6344 26.7014 -37.7881 -22.7997 TIMING: 770800 CPU: 2435.71, 0.00318172/step Wall: 2435.71, 0.00318172/step, 3.73781 hours remaining, 232.867188 MB of memory in use. ENERGY: 770800 3952.4076 20575.5749 14508.4599 250.7067 -203684.6257 2962.8734 0.0000 0.0000 52145.3629 -109289.2403 299.6801 -161434.6032 -108924.8550 300.2550 -53.9401 -18.7608 763601.5217 -8.9120 -8.9235 PRESSURE: 771000 42.5941 -6.75996 84.6002 -6.75934 144.276 2.36452 84.5997 2.36477 299.848 GPRESSURE: 771000 101.511 -11.06 -30.8151 -15.7665 135.214 42.5828 46.746 17.3124 309.16 PRESSAVG: 771000 14.3575 0.104957 34.9892 0.104938 22.9946 -54.2792 34.9892 -54.2791 7.63318 GPRESSAVG: 771000 13.1357 0.762832 33.2243 -1.47548 23.4131 -53.8977 35.3486 -56.8426 8.32792 TIMING: 771000 CPU: 2436.34, 0.00317783/step Wall: 2436.34, 0.00317783/step, 3.73307 hours remaining, 232.867188 MB of memory in use. ENERGY: 771000 4000.5602 20644.6382 14521.4386 243.1751 -203444.5035 2933.6800 0.0000 0.0000 51993.4091 -109107.6022 298.8068 -161101.0114 -108740.9081 299.6076 162.2391 181.9618 763480.4657 14.9951 14.9589 PRESSURE: 771200 194.715 148.041 165.774 148.042 -145.232 -142.973 165.773 -142.973 66.3792 GPRESSURE: 771200 188.988 34.0037 127.13 47.336 -116.065 -55.4922 169.05 -119.161 102.703 PRESSAVG: 771200 -18.5971 44.8892 -1.83116 44.8893 -24.5554 -41.9242 -1.83118 -41.9242 2.87622 GPRESSAVG: 771200 -18.4188 44.5105 -0.822846 44.2207 -25.3065 -41.1837 -2.70646 -40.3969 3.08954 TIMING: 771200 CPU: 2436.98, 0.00318029/step Wall: 2436.98, 0.00318029/step, 3.73578 hours remaining, 232.867188 MB of memory in use. ENERGY: 771200 3991.7461 20517.4335 14511.3676 255.7256 -203545.6487 2873.9734 0.0000 0.0000 52163.8569 -109231.5457 299.7864 -161395.4026 -108861.8212 299.3213 38.6208 58.5420 762011.4144 -13.4255 -13.5453 PRESSURE: 771400 -423.501 -27.6824 -15.0337 -27.6819 225.21 6.98044 -15.0337 6.98024 220.466 GPRESSURE: 771400 -277.626 -42.4351 -63.2172 -115.663 186.821 40.8357 115.153 -89.0371 222.113 PRESSAVG: 771400 -20.4482 16.6527 -58.177 16.6527 31.0247 -61.3428 -58.1769 -61.3427 6.05441 GPRESSAVG: 771400 -19.8302 18.6576 -55.7968 14.6539 30.2355 -63.7143 -58.7503 -59.9968 6.42779 TIMING: 771400 CPU: 2437.62, 0.00317868/step Wall: 2437.62, 0.00317869/step, 3.73372 hours remaining, 232.867188 MB of memory in use. ENERGY: 771400 4045.3346 20521.3788 14446.8398 252.3054 -203301.9779 2886.1924 0.0000 0.0000 52003.0790 -109146.8479 298.8624 -161149.9269 -108783.4453 298.8624 7.3917 43.7693 762022.6517 5.5436 5.6110 PRESSURE: 771600 -42.2984 132.224 -216.697 132.224 -337.278 -216.551 -216.696 -216.551 185.227 GPRESSURE: 771600 -74.0051 142.247 -310.385 72.655 -206.052 -213.868 -97.5951 -62.3059 154.777 PRESSAVG: 771600 26.4795 59.5933 -46.6653 59.5933 -4.67643 -39.8015 -46.6653 -39.8014 0.477452 GPRESSAVG: 771600 27.3137 59.343 -47.4651 60.1071 -4.17854 -38.8364 -47.0053 -39.7357 -0.946196 TIMING: 771600 CPU: 2438.24, 0.00313856/step Wall: 2438.24, 0.00313857/step, 3.68642 hours remaining, 232.867188 MB of memory in use. ENERGY: 771600 4016.5449 20516.8375 14495.0378 252.9696 -203473.2616 2713.0552 0.0000 0.0000 52260.0593 -109218.7573 300.3393 -161478.8165 -108867.4432 299.9430 -64.7832 -41.7602 762491.1625 7.4268 7.3963 PRESSURE: 771800 -68.7169 122.747 -156.093 122.747 -274.833 114.302 -156.092 114.302 -109.785 GPRESSURE: 771800 -31.5637 58.1772 -174.729 -50.0066 -207.786 99.3457 -172.976 125.298 -140.001 PRESSAVG: 771800 0.977015 63.9447 1.1284 63.9448 -20.2865 26.1391 1.12843 26.139 -1.06069 GPRESSAVG: 771800 -0.693714 63.6375 2.32321 64.1283 -21.0392 24.7242 -1.28822 25.6671 0.940077 TIMING: 771800 CPU: 2438.87, 0.00314775/step Wall: 2438.87, 0.00314775/step, 3.69703 hours remaining, 232.867188 MB of memory in use. ENERGY: 771800 4003.3885 20330.9867 14443.8086 237.9342 -202923.1973 2436.0245 0.0000 0.0000 52304.4610 -109166.5939 300.5945 -161471.0549 -108790.6274 299.4767 -151.1115 -126.4504 762924.1319 -6.7901 -6.9309 PRESSURE: 772000 237.04 -11.248 7.24798 -11.2482 -9.49779 -203.901 7.24727 -203.902 165.103 GPRESSURE: 772000 310.546 -47.942 135.527 -73.7577 -45.8675 -242.272 26.2948 -277.187 211.958 PRESSAVG: 772000 -1.42333 -13.8147 8.5025 -13.8146 3.31069 46.3843 8.50252 46.3843 5.94886 GPRESSAVG: 772000 0.607842 -13.5089 7.38398 -15.7449 2.29697 49.3977 9.33882 45.1397 5.82912 TIMING: 772000 CPU: 2439.51, 0.00316259/step Wall: 2439.51, 0.00316259/step, 3.71429 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: 772000 3976.5263 20572.4662 14472.5594 237.9497 -203259.8679 2791.5121 0.0000 0.0000 52113.2787 -109095.5755 299.4957 -161208.8542 -108729.6607 299.6249 130.8814 158.8789 763132.0876 2.6121 2.9113 PRESSURE: 772200 202.561 48.2884 -50.2645 48.2875 -266.863 -32.1723 -50.2647 -32.1722 -85.0768 GPRESSURE: 772200 171.809 -28.5819 -54.051 126.276 -150.16 -92.4167 -92.3789 -0.0114357 -96.7584 PRESSAVG: 772200 34.0651 0.814875 6.62983 0.814868 -43.3194 10.4421 6.6298 10.4421 -4.04623 GPRESSAVG: 772200 32.3312 -0.320151 6.10909 3.93956 -41.4265 8.80384 9.15664 13.1381 -3.93611 TIMING: 772200 CPU: 2440.14, 0.00317944/step Wall: 2440.14, 0.00317944/step, 3.7339 hours remaining, 232.867188 MB of memory in use. ENERGY: 772200 3916.8166 20562.4764 14457.1479 255.5414 -202860.5753 2682.0481 0.0000 0.0000 51826.9002 -109159.6446 297.8499 -160986.5448 -108791.2336 299.4178 -49.7929 -25.0365 763642.7408 -4.4335 -4.3438 LDB: ============= START OF LOAD BALANCING ============== 2452.68 LDB: ============== END OF LOAD BALANCING =============== 2452.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2452.68 LDB: ============= START OF LOAD BALANCING ============== 2453 LDB: Largest compute 7060 load 0.032701 is 16.8% of average load 0.195176 LDB: Average compute 0.004425 is 2.3% of average load 0.195176 LDB: TIME 2453 LOAD: AVG 0.195176 MAX 0.214536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.664 MB LDB: TIME 2453 LOAD: AVG 0.195176 MAX 0.214536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: TIME 2453 LOAD: AVG 0.195176 MAX 0.214536 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: ============== END OF LOAD BALANCING =============== 2453 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2453.01 PRESSURE: 772400 -154.608 -71.7611 220.376 -71.7615 102.058 -86.5076 220.375 -86.5084 445.173 GPRESSURE: 772400 -200.819 117.041 129.792 -59.3932 219.734 -110.528 105.82 60.9867 471.807 PRESSAVG: 772400 17.1735 44.2981 -10.1163 44.2981 -16.2986 -9.87148 -10.1162 -9.87152 1.35254 GPRESSAVG: 772400 17.37 45.6072 -11.1494 41.3203 -15.2275 -10.3011 -10.1396 -12.5887 -0.00551266 TIMING: 772400 CPU: 2440.79, 0.00323982/step Wall: 2440.79, 0.00323982/step, 3.80463 hours remaining, 232.152344 MB of memory in use. ENERGY: 772400 3994.2363 20361.7216 14480.3945 244.8118 -203537.9498 3020.9897 0.0000 0.0000 52053.4354 -109382.3603 299.1518 -161435.7957 -109021.9621 298.6386 130.8743 163.5738 764192.8502 0.7425 0.7123 PRESSURE: 772600 83.7657 213.235 -449.755 213.235 -224.909 150.51 -449.756 150.51 -408.148 GPRESSURE: 772600 103.582 217.376 -420.321 253.525 -251.608 103.752 -341.872 208.694 -343.385 PRESSAVG: 772600 -40.2698 -23.6182 -7.05806 -23.6182 9.76392 28.2468 -7.05806 28.2468 7.03761 GPRESSAVG: 772600 -39.593 -25.4676 -5.95711 -19.5435 6.78662 29.0051 -5.15763 29.9048 8.32787 TIMING: 772600 CPU: 2441.42, 0.00317839/step Wall: 2441.42, 0.00317839/step, 3.73231 hours remaining, 232.152344 MB of memory in use. ENERGY: 772600 3992.9550 20621.5233 14409.0766 245.1418 -202975.0109 2495.0804 0.0000 0.0000 51987.0646 -109224.1693 298.7704 -161211.2339 -108872.0666 298.6144 -183.0971 -163.8038 764177.6822 -7.8227 -8.1595 PRESSURE: 772800 -258.718 242.738 -161.88 242.736 -125.448 48.5152 -161.881 48.5145 -142.097 GPRESSURE: 772800 -297.383 204.578 -106.801 383.112 17.9815 28.4791 -177.946 122.418 -175.653 PRESSAVG: 772800 55.5408 25.218 -21.3876 25.218 -24.2149 -0.713271 -21.3877 -0.713387 13.2888 GPRESSAVG: 772800 55.1077 26.4781 -20.3701 23.1072 -22.5888 -1.02697 -23.2471 0.227056 11.9397 TIMING: 772800 CPU: 2442.06, 0.00317124/step Wall: 2442.06, 0.00317124/step, 3.72374 hours remaining, 232.152344 MB of memory in use. ENERGY: 772800 4019.1306 20482.9377 14390.3505 229.7498 -202717.1308 2386.8013 0.0000 0.0000 51916.2883 -109291.8725 298.3636 -161208.1608 -108923.7778 298.8942 -175.4210 -151.6848 764093.9955 14.8716 14.8195 PRESSURE: 773000 -229.252 14.0926 82.3249 14.0924 -76.6662 111.226 82.3248 111.225 -205.303 GPRESSURE: 773000 -224.183 -7.71744 70.3603 134.61 -33.0409 139.939 146.099 -0.914912 -179.243 PRESSAVG: 773000 6.62499 -10.0855 -26.3956 -10.0855 -21.1687 -0.510538 -26.3956 -0.510487 -17.4346 GPRESSAVG: 773000 6.53279 -11.6828 -26.5123 -10.32 -22.4421 0.18702 -26.9568 -2.12646 -16.7061 TIMING: 773000 CPU: 2442.69, 0.00316574/step Wall: 2442.69, 0.00316574/step, 3.71711 hours remaining, 232.152344 MB of memory in use. ENERGY: 773000 3923.7403 20624.4232 14399.2286 242.5873 -202681.2341 2266.1137 0.0000 0.0000 51957.2453 -109267.8958 298.5990 -161225.1410 -108907.2333 299.0910 -170.4070 -145.4890 765224.3622 -10.6594 -10.8718 PRESSURE: 773200 163.411 10.9343 -161.05 10.9352 -121.187 -45.9304 -161.05 -45.9302 1.26628 GPRESSURE: 773200 147.153 -2.05793 -145.058 -4.86568 -144.765 -115.43 -221.535 10.4112 117.784 PRESSAVG: 773200 -35.409 19.1538 -21.3617 19.1538 20.861 6.57083 -21.3616 6.57084 14.6583 GPRESSAVG: 773200 -35.8555 21.1639 -21.8594 17.9568 21.7986 5.04069 -21.4779 7.7324 13.6612 TIMING: 773200 CPU: 2443.32, 0.00315582/step Wall: 2443.32, 0.00315582/step, 3.70529 hours remaining, 232.152344 MB of memory in use. ENERGY: 773200 3959.5098 20615.3451 14367.8887 251.8119 -203260.1534 2802.8388 0.0000 0.0000 52058.6212 -109204.1379 299.1816 -161262.7591 -108843.4129 299.0790 14.4968 40.0573 763795.9267 0.0368 -0.1319 PRESSURE: 773400 -230.222 74.3577 -167.251 74.3568 -432.033 -145.081 -167.251 -145.081 -491.161 GPRESSURE: 773400 -164.065 180.262 -225.166 52.703 -448.402 -131.997 -68.0117 -64.9039 -466.943 PRESSAVG: 773400 22.8026 58.2248 -0.93642 58.2248 -2.31866 -90.935 -0.936331 -90.9349 -18.0284 GPRESSAVG: 773400 22.8138 58.9608 0.230603 59.3464 -3.1869 -90.4968 -0.0968542 -90.6825 -16.8064 TIMING: 773400 CPU: 2443.96, 0.00316364/step Wall: 2443.96, 0.00316364/step, 3.71429 hours remaining, 232.152344 MB of memory in use. ENERGY: 773400 3995.3207 20518.4071 14368.8362 253.6339 -202693.8820 2196.4172 0.0000 0.0000 52201.6241 -109159.6429 300.0035 -161361.2670 -108798.2643 299.3736 -384.4718 -359.8034 763476.7823 0.8185 0.9402 PRESSURE: 773600 219.836 36.1582 248.647 36.1588 86.8742 -54.9758 248.648 -54.9755 3.59769 GPRESSURE: 773600 282.706 32.2292 242.701 92.8422 138.546 -121.486 226.998 -4.67414 -35.6442 PRESSAVG: 773600 24.4866 12.1175 8.89576 12.1175 28.872 22.6794 8.89582 22.6795 -30.8447 GPRESSAVG: 773600 24.5589 9.41579 7.64402 11.0185 29.3641 22.3242 7.23347 24.0361 -31.9573 TIMING: 773600 CPU: 2444.59, 0.00316294/step Wall: 2444.59, 0.00316294/step, 3.7133 hours remaining, 232.152344 MB of memory in use. ENERGY: 773600 3981.0577 20527.4847 14397.4008 251.9198 -203012.2573 2697.8047 0.0000 0.0000 52121.0680 -109035.5214 299.5405 -161156.5895 -108673.5676 299.4465 103.4361 128.5360 761986.6505 7.5046 7.3219 PRESSURE: 773800 -6.76273 38.9165 -67.1859 38.9167 -178.29 -126.162 -67.1856 -126.16 401.486 GPRESSURE: 773800 -28.5463 -64.7474 -121.094 3.6488 -55.5216 -111.173 74.4888 -74.5225 410.05 PRESSAVG: 773800 -9.0296 1.07228 14.2436 1.07228 11.6643 52.3145 14.2436 52.3145 -23.0506 GPRESSAVG: 773800 -9.85451 1.39547 13.0366 1.98112 12.1281 53.3236 15.6805 50.7123 -22.5422 TIMING: 773800 CPU: 2445.22, 0.0031689/step Wall: 2445.22, 0.0031689/step, 3.72012 hours remaining, 232.152344 MB of memory in use. ENERGY: 773800 3938.5207 20604.4089 14365.5930 255.4824 -203478.0974 2977.1397 0.0000 0.0000 52237.2279 -109099.7249 300.2081 -161336.9528 -108739.9666 299.6406 72.1443 108.6606 762273.5423 -6.8053 -6.7562 PRESSURE: 774000 -473.359 123.119 -41.8469 123.12 -87.8403 82.0005 -41.8469 82.0009 -207.85 GPRESSURE: 774000 -469.099 173.312 -90.1595 34.2929 -30.7586 88.486 -8.47992 -33.5931 -181.158 PRESSAVG: 774000 -35.1242 27.1221 -11.4126 27.1221 13.9672 9.31044 -11.4126 9.31041 -0.167325 GPRESSAVG: 774000 -34.3517 26.8609 -10.9469 25.4043 13.9759 9.02412 -9.54785 9.0666 -0.909877 TIMING: 774000 CPU: 2445.86, 0.00317949/step Wall: 2445.86, 0.00317949/step, 3.73237 hours remaining, 232.152344 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: 774000 3990.8781 20478.0166 14460.8963 240.5331 -202632.3790 2127.6214 0.0000 0.0000 51940.7267 -109393.7069 298.5041 -161334.4336 -109029.3148 298.8270 -256.3499 -227.0052 763463.2981 -7.1081 -7.0952 PRESSURE: 774200 597.594 -274.647 -71.5405 -274.647 -68.5935 16.5776 -71.5404 16.5778 240.633 GPRESSURE: 774200 623.957 -199.25 -100.334 -243.535 -117.128 44.4332 60.5372 -4.60072 333.257 PRESSAVG: 774200 -65.2045 6.70908 11.3072 6.7091 39.3416 39.6455 11.3071 39.6455 -1.2744 GPRESSAVG: 774200 -65.1917 6.41155 10.8794 7.57026 38.5294 40.5792 10.9293 38.318 -0.632496 TIMING: 774200 CPU: 2446.49, 0.00314909/step Wall: 2446.49, 0.00314909/step, 3.69651 hours remaining, 232.152344 MB of memory in use. ENERGY: 774200 4000.5238 20472.3284 14509.3552 265.8964 -203457.7586 2938.8561 0.0000 0.0000 51842.1894 -109428.6094 297.9378 -161270.7988 -109067.6030 298.2410 256.5444 280.0289 763286.4976 -9.0458 -9.0983 PRESSURE: 774400 -405.544 25.4573 -20.8464 25.4564 216.266 37.0791 -20.8456 37.0803 81.8247 GPRESSURE: 774400 -331.531 21.9281 -24.4286 12.0086 224.349 66.6836 146.582 86.202 86.2253 PRESSAVG: 774400 -11.999 -12.4466 -7.57635 -12.4467 9.29234 13.7787 -7.57635 13.7788 24.4407 GPRESSAVG: 774400 -12.4356 -10.0899 -7.10937 -12.5546 9.53468 12.1283 -9.86796 16.0899 24.3406 TIMING: 774400 CPU: 2447.12, 0.00316445/step Wall: 2447.12, 0.00316445/step, 3.71436 hours remaining, 232.152344 MB of memory in use. ENERGY: 774400 3979.6554 20257.4661 14473.8990 247.8544 -203261.2877 2740.0374 0.0000 0.0000 51965.3107 -109597.0647 298.6454 -161562.3754 -109227.0275 297.9959 -35.8179 -6.9855 764146.7154 7.2447 7.1466 PRESSURE: 774600 -142.589 248.258 -134.993 248.258 -70.9992 -55.3231 -134.994 -55.3231 -89.8615 GPRESSURE: 774600 -1.16858 52.8554 -116.2 260.888 -119.403 -24.0944 -54.6258 -20.6215 -92.4405 PRESSAVG: 774600 -65.6828 13.5374 -31.6101 13.5374 54.7259 11.9402 -31.6101 11.9401 3.02668 GPRESSAVG: 774600 -64.186 10.2862 -31.5933 13.8703 53.909 12.7646 -32.4044 9.65359 2.25538 TIMING: 774600 CPU: 2447.75, 0.00316822/step Wall: 2447.75, 0.00316822/step, 3.71861 hours remaining, 232.152344 MB of memory in use. ENERGY: 774600 4079.0906 20361.6130 14440.3261 240.4473 -203135.8097 2607.3623 0.0000 0.0000 51908.7090 -109498.2613 298.3201 -161406.9704 -109149.7492 298.6993 -101.1499 -71.0040 763403.2338 -2.6434 -2.6739 PRESSURE: 774800 -88.0889 60.0108 -134.172 60.0107 -64.0841 -19.3567 -134.172 -19.3573 -502.458 GPRESSURE: 774800 -48.432 116.642 -122.286 5.43046 54.2507 25.7153 -183.367 49.96 -573.053 PRESSAVG: 774800 17.9885 8.56266 -79.1333 8.56273 -42.1772 30.4338 -79.1334 30.4339 7.39704 GPRESSAVG: 774800 17.2716 8.50154 -78.5814 7.18864 -42.457 31.5461 -79.6582 31.141 8.47658 TIMING: 774800 CPU: 2448.39, 0.00316336/step Wall: 2448.39, 0.00316336/step, 3.71273 hours remaining, 232.152344 MB of memory in use. ENERGY: 774800 3996.3658 20340.2434 14542.2704 251.6185 -203350.1559 2853.5377 0.0000 0.0000 51656.9107 -109709.2093 296.8730 -161366.1200 -109349.5605 298.0063 -218.2102 -189.0782 763701.1336 -5.5972 -5.5696 PRESSURE: 775000 182.901 8.5957 92.2425 8.59511 44.8306 -43.3777 92.2415 -43.3781 -484.888 GPRESSURE: 775000 217.207 60.1428 164.097 43.7766 47.6698 -12.9808 118.032 7.17435 -439.401 PRESSAVG: 775000 -37.7563 -65.1351 -56.3367 -65.135 58.1752 10.3238 -56.3367 10.3238 21.6368 GPRESSAVG: 775000 -37.3933 -64.0884 -56.8654 -61.9666 58.1141 8.44762 -53.4375 11.4032 22.0312 TIMING: 775000 CPU: 2449.02, 0.00318625/step Wall: 2449.02, 0.00318625/step, 3.73941 hours remaining, 232.152344 MB of memory in use. ENERGY: 775000 3884.3924 20628.1347 14479.6519 256.3585 -203221.3330 2519.8387 0.0000 0.0000 51751.9775 -109700.9793 297.4193 -161452.9567 -109342.8318 297.9547 -85.7188 -58.1748 762519.4806 14.0185 14.2507 PRESSURE: 775200 -20.8699 5.69668 -127.57 5.69629 85.7741 200.65 -127.569 200.651 60.3571 GPRESSURE: 775200 0.18171 37.2369 -119.834 15.7294 86.8593 70.3485 -112.845 131.869 124.965 PRESSAVG: 775200 -14.5192 21.1472 -62.7068 21.1472 12.8788 39.0267 -62.7068 39.0268 -10.0043 GPRESSAVG: 775200 -13.3234 20.7305 -62.0678 18.6692 13.177 39.3204 -62.8387 36.9095 -10.9201 TIMING: 775200 CPU: 2449.66, 0.00317795/step Wall: 2449.66, 0.00317795/step, 3.7295 hours remaining, 232.152344 MB of memory in use. ENERGY: 775200 3972.5487 20453.3506 14502.6545 245.6596 -203427.1459 2479.9553 0.0000 0.0000 52085.2694 -109687.7076 299.3348 -161772.9771 -109328.9725 298.4671 41.7538 70.6688 762661.2703 -3.8816 -3.6888 PRESSURE: 775400 -384.241 16.8765 -168.302 16.8757 -10.0055 6.92327 -168.302 6.92337 -174.877 GPRESSURE: 775400 -390.048 -77.3553 -213.357 -74.1417 105.363 73.1548 -88.7653 -96.0252 -201.417 PRESSAVG: 775400 -45.4945 7.76904 -8.6273 7.76902 45.0784 8.20914 -8.6274 8.20916 -10.8441 GPRESSAVG: 775400 -47.1787 8.7124 -9.84678 8.2322 46.6255 7.19522 -8.15568 8.96934 -10.7141 TIMING: 775400 CPU: 2450.29, 0.00317085/step Wall: 2450.29, 0.00317085/step, 3.721 hours remaining, 232.152344 MB of memory in use. ENERGY: 775400 4019.5676 20613.2736 14442.5397 243.7637 -203061.2901 2337.6754 0.0000 0.0000 51739.1705 -109665.2997 297.3457 -161404.4701 -109308.8163 298.6657 -189.7078 -162.0342 763141.6350 -3.7534 -3.7558 PRESSURE: 775600 -40.404 -89.5429 140.191 -89.543 207.252 -26.2673 140.192 -26.2678 -207.007 GPRESSURE: 775600 -48.6939 -77.4055 206.98 -51.7033 284.944 -39.7832 153.859 -71.9537 -163.351 PRESSAVG: 775600 -49.0027 2.06978 -47.0404 2.06983 50.4964 4.30257 -47.0405 4.30257 6.16113 GPRESSAVG: 775600 -48.5252 2.03776 -47.4278 3.41724 49.9951 5.43667 -46.5132 5.20798 6.21101 TIMING: 775600 CPU: 2450.93, 0.00315829/step Wall: 2450.93, 0.00315829/step, 3.70608 hours remaining, 232.152344 MB of memory in use. ENERGY: 775600 3953.9702 20432.3714 14472.8572 224.8431 -203669.5653 2888.0987 0.0000 0.0000 52088.8486 -109608.5762 299.3553 -161697.4247 -109242.1650 298.7442 -13.3864 24.3000 761201.2198 2.5516 2.5603 PRESSURE: 775800 -340.19 64.9065 79.7501 64.9064 4.77245 24.503 79.7503 24.5023 52.6764 GPRESSURE: 775800 -297.437 -6.68807 115.05 2.57458 -5.41257 -63.266 122.455 23.4193 91.6688 PRESSAVG: 775800 -39.8703 16.3712 -53.552 16.3712 109.243 5.3417 -53.5521 5.34169 -26.3938 GPRESSAVG: 775800 -40.2725 15.9337 -52.1875 15.8998 108.524 5.17475 -56.3219 4.16667 -25.867 TIMING: 775800 CPU: 2451.56, 0.00315946/step Wall: 2451.56, 0.00315946/step, 3.70728 hours remaining, 232.152344 MB of memory in use. ENERGY: 775800 3948.1434 20579.5798 14497.2995 227.0993 -203120.1993 2489.1924 0.0000 0.0000 51830.3549 -109548.5299 297.8698 -161378.8849 -109184.3764 298.5053 -94.2471 -70.3936 761307.7074 14.3263 14.1282 PRESSURE: 776000 61.9083 -219.325 36.6128 -219.325 -73.8469 -109.947 36.6133 -109.947 -104.574 GPRESSURE: 776000 48.9994 -50.4707 -57.576 -245.953 -88.7955 -140.296 107.647 -127.248 8.23847 PRESSAVG: 776000 -34.2288 -41.4885 10.6977 -41.4885 21.2583 -18.4376 10.6977 -18.4375 36.0988 GPRESSAVG: 776000 -33.5584 -41.7361 9.27967 -40.262 20.9672 -18.7684 11.5628 -18.1071 35.6869 TIMING: 776000 CPU: 2452.19, 0.00315931/step Wall: 2452.19, 0.00315931/step, 3.70692 hours remaining, 232.152344 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: 776000 3871.4589 20422.7761 14464.3538 267.7506 -203229.5064 2653.6286 0.0000 0.0000 52003.7542 -109545.7842 298.8663 -161549.5383 -109194.2306 298.5710 -38.8375 -10.5192 762733.8902 7.7094 7.6986 PRESSURE: 776200 277.791 -267.834 216.896 -267.834 290.82 -86.0788 216.895 -86.078 281.78 GPRESSURE: 776200 255.273 -177.836 165.584 -136.036 407.7 -0.999555 261.143 -154.94 278.936 PRESSAVG: 776200 -3.84996 11.4253 21.8258 11.4253 -17.5331 -41.331 21.8258 -41.3309 -27.833 GPRESSAVG: 776200 -5.46969 13.3327 22.9708 10.1556 -16.0919 -40.8585 23.3275 -42.7361 -27.2858 TIMING: 776200 CPU: 2452.82, 0.00314998/step Wall: 2452.82, 0.00314998/step, 3.6958 hours remaining, 232.152344 MB of memory in use. ENERGY: 776200 4007.2227 20460.4525 14431.2058 241.8916 -203689.3367 2958.1662 0.0000 0.0000 51913.3558 -109677.0422 298.3468 -161590.3979 -109329.4883 298.3142 283.4636 313.9698 761017.0250 -16.4054 -16.2825 LDB: ============= START OF LOAD BALANCING ============== 2465.35 LDB: ============== END OF LOAD BALANCING =============== 2465.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2465.36 LDB: ============= START OF LOAD BALANCING ============== 2465.68 LDB: Largest compute 7060 load 0.031345 is 16.0% of average load 0.195323 LDB: Average compute 0.004400 is 2.3% of average load 0.195323 LDB: TIME 2465.68 LOAD: AVG 0.195323 MAX 0.214509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.176 MB LDB: TIME 2465.68 LOAD: AVG 0.195323 MAX 0.214509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.176 MB LDB: TIME 2465.68 LOAD: AVG 0.195323 MAX 0.214509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.176 MB LDB: ============== END OF LOAD BALANCING =============== 2465.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2465.69 PRESSURE: 776400 276.012 31.5277 -31.0186 31.529 -81.8954 80.3343 -31.0172 80.3336 -233.204 GPRESSURE: 776400 314.439 -127.625 48.5761 -90.7021 -47.9994 128.926 -72.3292 -21.4607 -222.115 PRESSAVG: 776400 13.9359 9.85905 60.5345 9.8591 26.9608 12.5655 60.5345 12.5657 2.48132 GPRESSAVG: 776400 16.1034 9.13142 61.4062 8.57355 26.389 13.3034 60.6324 14.2391 1.37127 TIMING: 776400 CPU: 2453.47, 0.00324824/step Wall: 2453.47, 0.00324824/step, 3.8109 hours remaining, 232.925781 MB of memory in use. ENERGY: 776400 3971.7497 20377.6045 14411.3815 256.9756 -203419.5155 2776.4511 0.0000 0.0000 51982.9300 -109642.4230 298.7466 -161625.3530 -109282.8569 298.1044 -13.0291 14.7748 760600.0281 14.4594 14.6212 PRESSURE: 776600 222.422 -24.946 248.871 -24.9461 -409.19 93.6308 248.872 93.6312 73.2206 GPRESSURE: 776600 123.673 -119.04 233.059 -4.05803 -265.04 -14.5979 173.503 85.4061 111.938 PRESSAVG: 776600 55.6875 -18.8433 -7.65319 -18.8433 -72.5651 29.061 -7.65327 29.0611 -12.4897 GPRESSAVG: 776600 53.5436 -19.0887 -7.29133 -18.4305 -72.6101 29.6276 -8.98998 28.7783 -10.2232 TIMING: 776600 CPU: 2454.11, 0.00319083/step Wall: 2454.11, 0.00319083/step, 3.74338 hours remaining, 232.925781 MB of memory in use. ENERGY: 776600 3964.7715 20393.7433 14393.4055 269.6535 -203230.4077 2524.0611 0.0000 0.0000 51960.8481 -109723.9247 298.6197 -161684.7728 -109363.1391 298.2630 -37.8493 -9.8097 763056.5831 -9.7891 -9.7633 PRESSURE: 776800 -170.284 -37.1779 114.92 -37.1779 -153.099 -20.5598 114.92 -20.5597 431.194 GPRESSURE: 776800 -89.3037 -56.1639 129.462 -2.89499 -105.86 77.485 51.0835 -87.0776 403.247 PRESSAVG: 776800 -3.94049 -24.2567 51.6585 -24.2566 27.8567 -45.7244 51.6585 -45.7245 -11.7963 GPRESSAVG: 776800 -1.49563 -23.9646 52.3885 -24.0839 27.7856 -48.4967 48.1759 -45.5782 -13.5178 TIMING: 776800 CPU: 2454.74, 0.00314548/step Wall: 2454.74, 0.00314548/step, 3.69 hours remaining, 232.925781 MB of memory in use. ENERGY: 776800 3926.9688 20567.1035 14474.5923 236.9548 -203736.6706 2938.7618 0.0000 0.0000 51802.6656 -109789.6239 297.7106 -161592.2895 -109446.6175 297.9198 35.9370 69.3609 761820.7357 4.0400 4.2574 PRESSURE: 777000 256.388 8.21166 178.352 8.21099 -329.748 101.185 178.352 101.184 -172.063 GPRESSURE: 777000 287.554 -70.7025 211.872 69.3265 -239.209 91.1799 181.275 85.3001 -212.094 PRESSAVG: 777000 27.7509 -16.8506 2.32008 -16.8506 -66.1118 -37.0838 2.3201 -37.0837 2.60778 GPRESSAVG: 777000 26.6167 -16.83 1.23688 -16.2564 -65.6887 -35.9162 5.12091 -37.1139 3.58392 TIMING: 777000 CPU: 2455.37, 0.00317214/step Wall: 2455.37, 0.00317214/step, 3.72109 hours remaining, 232.925781 MB of memory in use. ENERGY: 777000 4002.8014 20563.7581 14393.4668 247.7118 -203457.6639 2735.9030 0.0000 0.0000 51926.3353 -109587.6875 298.4214 -161514.0228 -109229.1292 298.0769 -81.8076 -54.5828 762361.7174 -11.9177 -11.8294 PRESSURE: 777200 186.456 -75.9651 123.623 -75.9652 285.383 42.19 123.622 42.1892 453.375 GPRESSURE: 777200 289.885 -54.025 128.289 -231.384 263.102 35.1766 167.466 -150.664 460.252 PRESSAVG: 777200 35.0493 -23.0834 -6.98876 -23.0834 -13.9589 -37.7228 -6.9888 -37.7228 -2.42173 GPRESSAVG: 777200 35.1441 -25.3535 -8.99681 -22.4519 -13.7221 -37.2427 -5.43091 -38.484 -2.93811 TIMING: 777200 CPU: 2456.01, 0.00317249/step Wall: 2456.01, 0.00317249/step, 3.72134 hours remaining, 232.925781 MB of memory in use. ENERGY: 777200 3897.6850 20449.6171 14480.6143 237.6337 -203509.9753 2825.0464 0.0000 0.0000 51965.9252 -109653.4537 298.6489 -161619.3789 -109288.5351 298.9854 308.4045 337.7462 760863.1657 6.2229 6.1613 PRESSURE: 777400 -415.328 -294.864 51.9819 -294.863 -133.166 -219.301 51.9812 -219.302 -371.55 GPRESSURE: 777400 -364.261 -159.22 150.532 -260.248 -125.18 -257.672 -24.1529 -176.598 -347.669 PRESSAVG: 777400 -44.8601 8.65139 6.9183 8.6514 71.2176 -17.2124 6.91834 -17.2123 1.75908 GPRESSAVG: 777400 -46.1306 10.5929 8.0302 8.50645 71.8456 -18.6225 5.00541 -17.6651 2.08965 TIMING: 777400 CPU: 2456.64, 0.00317139/step Wall: 2456.64, 0.00317139/step, 3.71986 hours remaining, 232.925781 MB of memory in use. ENERGY: 777400 3936.1296 20610.5836 14503.2419 234.0842 -202857.7321 2050.3477 0.0000 0.0000 51974.7496 -109548.5956 298.6996 -161523.3452 -109188.4405 298.6073 -306.6813 -279.0368 762842.2066 9.3722 9.2682 PRESSURE: 777600 -94.0118 89.2161 -11.4567 89.2158 6.18326 45.5713 -11.4569 45.5714 -274.752 GPRESSURE: 777600 -36.995 120.533 -23.7817 129.316 16.9476 67.0793 -47.4432 25.0464 -237.4 PRESSAVG: 777600 -20.1055 2.42511 5.51981 2.42509 39.4919 -44.3398 5.51985 -44.3399 -2.58526 GPRESSAVG: 777600 -18.8734 1.896 5.87199 4.14681 37.895 -42.5451 6.46752 -44.3252 -2.67493 TIMING: 777600 CPU: 2457.27, 0.00313949/step Wall: 2457.27, 0.00313949/step, 3.68227 hours remaining, 232.925781 MB of memory in use. ENERGY: 777600 3985.0568 20535.2242 14414.0746 239.6793 -203580.4461 2835.7578 0.0000 0.0000 52024.4805 -109546.1729 298.9854 -161570.6534 -109194.3566 299.0052 -120.8601 -85.8157 762242.8226 5.6004 5.4489 PRESSURE: 777800 -165.909 -154.342 222.653 -154.342 149.534 68.8394 222.653 68.8399 -57.0653 GPRESSURE: 777800 -25.1753 -144.933 246.194 -77.6267 153.657 107.784 239.556 59.4035 -107.175 PRESSAVG: 777800 15.4066 -11.0367 69.9887 -11.0366 6.33822 -17.4194 69.9887 -17.4194 -16.9884 GPRESSAVG: 777800 14.8396 -9.24306 70.384 -13.7489 7.74034 -17.9547 68.5967 -15.9792 -17.6406 TIMING: 777800 CPU: 2457.9, 0.00315188/step Wall: 2457.9, 0.00315188/step, 3.69663 hours remaining, 232.925781 MB of memory in use. ENERGY: 777800 3950.0171 20335.8943 14411.7720 249.0878 -203251.2893 2684.2584 0.0000 0.0000 52017.0062 -109603.2535 298.9424 -161620.2597 -109237.9152 298.7738 -24.4800 7.1020 762609.5546 1.5854 1.6465 PRESSURE: 778000 -510.105 -26.0656 -66.4024 -26.0661 -291.438 9.20384 -66.4028 9.20337 -353.898 GPRESSURE: 778000 -463.887 45.4506 -38.5145 33.9716 -226.249 76.8371 -141.836 -49.3375 -376.515 PRESSAVG: 778000 -22.4349 10.5067 61.3589 10.5067 -1.05874 45.554 61.3589 45.5539 2.7028 GPRESSAVG: 778000 -22.243 8.27216 59.622 13.9924 -1.84998 45.2366 64.2323 46.6133 3.11568 TIMING: 778000 CPU: 2458.53, 0.00317789/step Wall: 2458.53, 0.00317789/step, 3.72696 hours remaining, 232.925781 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: 778000 3985.6217 20485.6143 14404.9074 268.9276 -202889.0290 2436.9324 0.0000 0.0000 51905.0219 -109402.0038 298.2989 -161307.0257 -109025.4717 298.5879 -385.1472 -355.5501 763953.4252 -6.9303 -6.9924 PRESSURE: 778200 -5.87145 180.155 62.9167 180.156 -14.3577 -34.8645 62.9164 -34.865 -390.177 GPRESSURE: 778200 -46.6646 77.9128 139.705 213.153 102.609 -79.6605 5.30912 31.7966 -400.049 PRESSAVG: 778200 -8.07218 -39.7855 4.12652 -39.7855 47.016 17.939 4.12653 17.939 22.1047 GPRESSAVG: 778200 -7.74224 -36.8484 5.16563 -42.8438 47.3214 17.0853 0.161352 17.8907 21.0048 TIMING: 778200 CPU: 2459.16, 0.0031549/step Wall: 2459.16, 0.0031549/step, 3.69982 hours remaining, 232.925781 MB of memory in use. ENERGY: 778200 4048.0817 20395.3881 14422.5356 247.7634 -203492.3894 2690.8075 0.0000 0.0000 52138.4476 -109549.3655 299.6404 -161687.8131 -109193.2594 299.1568 -136.8020 -114.7014 761500.0519 20.3495 20.1946 PRESSURE: 778400 -444.403 -40.6661 159.245 -40.6659 -181.101 253.515 159.246 253.515 -11.5422 GPRESSURE: 778400 -308.928 -54.7364 112.208 -150.894 -116.255 246.228 149.511 308.463 -121.029 PRESSAVG: 778400 6.92572 -20.4917 -16.5577 -20.4917 32.8296 1.89115 -16.5577 1.89119 2.29105 GPRESSAVG: 778400 6.65233 -22.4936 -17.9043 -20.3046 32.2117 2.48347 -12.2779 3.25782 3.83411 TIMING: 778400 CPU: 2459.79, 0.00314747/step Wall: 2459.79, 0.00314747/step, 3.69093 hours remaining, 232.925781 MB of memory in use. ENERGY: 778400 3993.9297 20274.1051 14413.2636 232.9525 -202950.3833 2431.5919 0.0000 0.0000 52118.4457 -109486.0948 299.5254 -161604.5405 -109127.7418 298.8374 -212.3485 -182.0709 761454.6413 14.0155 14.2327 PRESSURE: 778600 -140.107 33.2768 -88.0195 33.2763 -102.261 -110.556 -88.0195 -110.555 -235.862 GPRESSURE: 778600 -112.561 -13.3051 -158.1 -95.4384 -110.516 -96.2131 -81.6451 -90.4505 -184.309 PRESSAVG: 778600 11.9428 34.6147 -44.8322 34.6147 6.35516 15.8671 -44.8321 15.8671 21.1978 GPRESSAVG: 778600 12.2816 34.174 -43.3565 35.9002 5.97903 17.2012 -48.8179 13.292 21.5504 TIMING: 778600 CPU: 2460.43, 0.00316938/step Wall: 2460.43, 0.00316938/step, 3.71645 hours remaining, 232.925781 MB of memory in use. ENERGY: 778600 3973.1627 20472.1654 14329.2434 229.8878 -202910.2626 2413.5148 0.0000 0.0000 52204.8899 -109287.3986 300.0222 -161492.2885 -108916.4637 298.7492 -159.4101 -135.7952 761413.9655 13.1652 13.2703 PRESSURE: 778800 308.702 67.7647 4.18363 67.7643 -37.2945 -79.9765 4.18292 -79.9778 -224.108 GPRESSURE: 778800 389.252 -10.4232 -92.9359 12.7557 -34.5601 0.239745 39.0796 50.2573 -228.905 PRESSAVG: 778800 39.0733 -38.2648 -0.637109 -38.2648 -4.55453 14.8824 -0.637106 14.8824 21.7051 GPRESSAVG: 778800 38.0121 -39.0151 -1.63412 -40.4062 -4.24968 14.0524 0.244166 17.056 22.1891 TIMING: 778800 CPU: 2461.06, 0.00317645/step Wall: 2461.06, 0.00317645/step, 3.72457 hours remaining, 232.925781 MB of memory in use. ENERGY: 778800 3971.1322 20717.6937 14436.4321 230.2959 -203013.1732 2623.9004 0.0000 0.0000 51816.8960 -109216.8229 297.7924 -161033.7189 -108853.5511 299.4096 15.7666 41.9290 763309.8949 18.7413 18.6505 PRESSURE: 779000 349.644 35.6966 -263.926 35.6965 -80.4878 52.0336 -263.925 52.0344 -13.3847 GPRESSURE: 779000 295.138 73.6529 -242.135 -25.9842 59.7669 -1.03854 -176.405 69.2895 -31.3848 PRESSAVG: 779000 -9.99741 4.61202 8.64699 4.61205 23.2364 36.4867 8.64702 36.4867 -18.6189 GPRESSAVG: 779000 -9.86514 6.02369 10.9582 5.02594 24.2958 36.957 6.44912 35.5581 -19.4628 TIMING: 779000 CPU: 2461.7, 0.00316513/step Wall: 2461.7, 0.00316513/step, 3.71112 hours remaining, 232.925781 MB of memory in use. ENERGY: 779000 3991.7955 20668.6458 14460.0012 262.9100 -203129.4075 2664.2652 0.0000 0.0000 52007.9511 -109073.8385 298.8904 -161081.7897 -108722.9171 299.5527 85.2573 107.8399 761879.1176 -1.7933 -1.6774 PRESSURE: 779200 -185.647 188.882 16.6055 188.882 190.366 108.897 16.6058 108.898 -82.0056 GPRESSURE: 779200 -147.925 132.393 -12.3064 121.01 134.745 164.438 38.5775 86.6437 -7.90538 PRESSAVG: 779200 21.3826 -48.7933 -31.6021 -48.7933 -30.1858 27.0319 -31.6021 27.0319 10.9433 GPRESSAVG: 779200 22.5512 -49.0243 -31.755 -49.4739 -30.4072 26.3677 -30.2248 27.7438 9.98933 TIMING: 779200 CPU: 2462.33, 0.00316261/step Wall: 2462.33, 0.00316261/step, 3.70799 hours remaining, 232.925781 MB of memory in use. ENERGY: 779200 4049.0134 20680.3324 14434.8568 233.6441 -203166.3967 2709.7207 0.0000 0.0000 51904.6132 -109154.2162 298.2965 -161058.8294 -108804.6976 299.1528 -25.7625 -7.0284 762888.5008 0.7134 0.7111 PRESSURE: 779400 252.036 79.1309 -21.9215 79.1297 484.273 23.5657 -21.9211 23.5663 23.7938 GPRESSURE: 779400 264.4 149.884 -64.8098 -69.7001 546.094 -56.4644 36.6905 127.327 39.7194 PRESSAVG: 779400 -42.0679 35.764 18.8802 35.764 21.3602 -26.4713 18.8801 -26.4712 -16.8278 GPRESSAVG: 779400 -40.6071 35.6525 18.0693 38.3233 18.9087 -27.1871 17.0941 -26.985 -16.1969 TIMING: 779400 CPU: 2462.96, 0.0031733/step Wall: 2462.96, 0.0031733/step, 3.72034 hours remaining, 232.925781 MB of memory in use. ENERGY: 779400 3988.6702 20600.3371 14356.1841 238.0341 -203664.8750 2927.8899 0.0000 0.0000 52168.4318 -109385.3276 299.8127 -161553.7595 -109026.7358 298.9878 253.3677 283.4045 761900.7660 -12.5118 -12.6317 PRESSURE: 779600 -77.0003 7.63912 -162.712 7.63863 415.137 -0.660216 -162.713 -0.660533 -255.553 GPRESSURE: 779600 -51.8054 26.9601 -70.6997 20.5636 440.228 19.0208 -96.0753 -103.995 -206.833 PRESSAVG: 779600 24.1117 14.6081 -35.9102 14.6081 11.2156 -26.935 -35.9102 -26.935 5.5591 GPRESSAVG: 779600 21.4855 14.2186 -37.8926 15.2607 12.5606 -25.5622 -32.1927 -27.563 7.16858 TIMING: 779600 CPU: 2463.59, 0.00315527/step Wall: 2463.59, 0.00315527/step, 3.69903 hours remaining, 232.925781 MB of memory in use. ENERGY: 779600 4015.0545 20633.4689 14430.0056 244.6118 -203198.5517 2620.6638 0.0000 0.0000 51886.1594 -109368.5877 298.1905 -161254.7471 -108999.7915 298.8071 27.5279 60.5299 761393.5912 13.6288 13.7382 PRESSURE: 779800 -312.026 -29.5587 -43.6574 -29.5589 -314.579 68.7331 -43.6574 68.7323 204.265 GPRESSURE: 779800 -361.395 -84.9953 -21.4213 -14.4048 -179.678 1.54973 -98.8536 143.371 194.29 PRESSAVG: 779800 14.9882 29.0257 -46.7489 29.0257 -38.4315 4.19871 -46.749 4.19866 -16.5552 GPRESSAVG: 779800 15.5252 29.314 -46.8145 28.2891 -36.5838 3.60375 -45.3403 3.0037 -18.7707 TIMING: 779800 CPU: 2464.23, 0.0031773/step Wall: 2464.23, 0.0031773/step, 3.72467 hours remaining, 232.925781 MB of memory in use. ENERGY: 779800 4021.6116 20575.0993 14453.9282 260.1464 -202983.1863 2528.1018 0.0000 0.0000 52034.9474 -109109.3515 299.0456 -161144.2989 -108757.9429 299.1632 -140.7799 -115.5940 763326.4137 -13.3328 -13.2764 PRESSURE: 780000 -209.632 -42.6389 -40.0106 -42.6387 -100.047 -40.6492 -40.0106 -40.6495 -171.469 GPRESSURE: 780000 -53.9558 -15.8991 -117.241 41.3988 -165.977 -61.9008 -90.396 24.2004 -154.011 PRESSAVG: 780000 -49.4058 -25.9266 -43.2178 -25.9266 45.2575 0.192759 -43.2177 0.192761 14.1091 GPRESSAVG: 780000 -48.4671 -25.7194 -40.4149 -25.986 43.7048 -0.415177 -46.7351 1.91685 15.1538 TIMING: 780000 CPU: 2464.87, 0.00317459/step Wall: 2464.87, 0.00317459/step, 3.72132 hours remaining, 232.925781 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: 780000 3966.8949 20862.0575 14332.2949 244.2053 -203133.6871 2538.3919 0.0000 0.0000 52039.0180 -109150.8247 299.0690 -161189.8427 -108781.7726 299.6576 -160.3826 -124.6478 762735.3342 3.3203 3.4638 PRESSURE: 780200 -200.102 -27.6249 89.6334 -27.6243 174.191 -78.1348 89.6332 -78.1354 125.777 GPRESSURE: 780200 -5.0431 -58.5107 116.638 -72.0088 139.214 -58.0467 15.64 -50.0183 45.0319 PRESSAVG: 780200 52.0475 37.4913 -33.024 37.4914 -7.87226 -3.65836 -33.0241 -3.65829 8.97716 GPRESSAVG: 780200 54.3172 37.1526 -33.6559 36.6524 -7.62536 -2.05776 -31.829 -5.0952 6.61754 TIMING: 780200 CPU: 2465.5, 0.00317533/step Wall: 2465.5, 0.00317533/step, 3.72201 hours remaining, 232.925781 MB of memory in use. ENERGY: 780200 3956.4558 20479.9022 14408.9154 227.9270 -203569.0896 3017.3195 0.0000 0.0000 52051.3578 -109427.2119 299.1399 -161478.5697 -109060.1305 299.1198 33.2887 59.7343 762518.9612 17.7175 17.7698 LDB: ============= START OF LOAD BALANCING ============== 2478.04 LDB: ============== END OF LOAD BALANCING =============== 2478.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2478.04 LDB: ============= START OF LOAD BALANCING ============== 2478.36 LDB: Largest compute 7058 load 0.031815 is 16.3% of average load 0.195205 LDB: Average compute 0.004405 is 2.3% of average load 0.195205 LDB: TIME 2478.36 LOAD: AVG 0.195205 MAX 0.215552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 2478.36 LOAD: AVG 0.195205 MAX 0.215552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 2478.36 LOAD: AVG 0.195205 MAX 0.215552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 2478.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2478.37 PRESSURE: 780400 14.309 6.88228 -54.9491 6.88176 135.228 73.9552 -54.9484 73.9557 -316.824 GPRESSURE: 780400 -6.76887 76.1824 6.31319 55.0037 136.299 70.3524 -171.344 155.421 -215.567 PRESSAVG: 780400 60.0114 49.5904 29.2959 49.5904 -30.7204 57.7769 29.2958 57.7769 9.57986 GPRESSAVG: 780400 58.4223 49.3485 29.0662 51.2751 -31.2343 56.1502 28.2311 57.8443 11.072 TIMING: 780400 CPU: 2466.15, 0.00325077/step Wall: 2466.15, 0.00325077/step, 3.81026 hours remaining, 233.636719 MB of memory in use. ENERGY: 780400 3988.6039 20612.2369 14408.1602 260.6077 -203522.0434 2795.5991 0.0000 0.0000 52113.2840 -109343.5516 299.4958 -161456.8356 -108974.0588 298.7111 -55.7622 -28.6788 761493.8648 12.9569 12.7534 PRESSURE: 780600 -161.223 16.3963 -209.209 16.3959 205.179 85.9087 -209.209 85.9089 199.592 GPRESSURE: 780600 -102.44 33.4077 -77.1226 109.562 157.01 66.0078 -187.003 85.2917 277.623 PRESSAVG: 780600 23.3216 31.0918 -16.6036 31.0918 -7.45238 71.458 -16.6036 71.4581 -10.31 GPRESSAVG: 780600 23.1058 31.2955 -15.9606 29.9556 -8.3328 73.1906 -17.3394 72.2196 -9.34024 TIMING: 780600 CPU: 2466.78, 0.00316404/step Wall: 2466.78, 0.00316404/step, 3.70843 hours remaining, 233.839844 MB of memory in use. ENERGY: 780600 4000.3332 20752.6136 14494.5635 243.8107 -203692.5465 2956.7290 0.0000 0.0000 52095.5133 -109148.9832 299.3936 -161244.4965 -108793.8881 298.7999 81.1827 110.7313 762198.0229 1.8531 1.8109 PRESSURE: 780800 562.649 -64.8678 64.0054 -64.8688 147.634 -58.5593 64.0061 -58.5587 25.6166 GPRESSURE: 780800 498.658 -84.9566 95.1761 -115.498 275.577 -41.674 19.2972 -18.7813 49.7564 PRESSAVG: 780800 -0.783992 38.6116 14.0933 38.6116 8.98659 26.1324 14.0932 26.1323 -2.48546 GPRESSAVG: 780800 -2.66143 38.0105 12.5362 38.1664 11.1615 26.1519 16.4909 26.0746 -2.91405 TIMING: 780800 CPU: 2467.42, 0.00317516/step Wall: 2467.42, 0.00317516/step, 3.72128 hours remaining, 233.839844 MB of memory in use. ENERGY: 780800 3968.4510 20442.3950 14420.3491 263.4518 -203791.7880 3109.7593 0.0000 0.0000 52370.2525 -109217.1294 300.9726 -161587.3819 -108850.9153 299.1870 245.2998 274.6640 762837.5332 1.9057 1.8620 PRESSURE: 781000 -135.212 -30.6696 -19.2447 -30.6693 272.283 35.8739 -19.2443 35.874 -163.574 GPRESSURE: 781000 -5.0878 98.039 -20.7633 -35.0315 232.441 -38.5681 -123.24 138.251 -185.236 PRESSAVG: 781000 28.2288 38.0208 -14.7797 38.0207 -10.3176 17.6155 -14.7797 17.6156 -7.04945 GPRESSAVG: 781000 28.2994 38.1438 -14.4123 37.8809 -10.1111 16.1806 -17.4488 17.9147 -7.60743 TIMING: 781000 CPU: 2468.05, 0.00315464/step Wall: 2468.05, 0.00315464/step, 3.69706 hours remaining, 234.101562 MB of memory in use. ENERGY: 781000 4037.4805 20513.8362 14456.6106 245.3416 -203007.7555 2963.5807 0.0000 0.0000 51792.3099 -108998.5960 297.6511 -160790.9059 -108639.3245 298.8722 -8.8343 14.0391 764510.5894 3.6206 3.5270 PRESSURE: 781200 12.865 -87.4785 51.5535 -87.4792 18.9393 16.8406 51.5545 16.8403 -377.088 GPRESSURE: 781200 132.957 -3.19661 71.1257 -53.9828 -69.196 -12.9425 -1.55064 109.908 -328.827 PRESSAVG: 781200 48.6685 45.65 -29.7136 45.65 -50.9171 23.3864 -29.7136 23.3863 7.34369 GPRESSAVG: 781200 50.7197 45.451 -29.496 45.9233 -53.5161 23.7443 -28.1142 20.4867 7.68537 TIMING: 781200 CPU: 2468.68, 0.00315627/step Wall: 2468.68, 0.00315627/step, 3.6988 hours remaining, 234.101562 MB of memory in use. ENERGY: 781200 4028.3636 20671.2346 14407.8629 248.9302 -203078.2391 2778.5333 0.0000 0.0000 52008.9918 -108934.3226 298.8964 -160943.3145 -108575.2210 299.9870 -115.0947 -88.3554 765743.2059 1.6984 1.6297 PRESSURE: 781400 -79.6093 121.277 -37.2976 121.276 219.795 -164.05 -37.2964 -164.05 -19.1052 GPRESSURE: 781400 -43.2713 161.455 14.903 93.007 232.803 -177.734 23.7165 -116.007 19.3401 PRESSAVG: 781400 56.6765 -15.2445 4.00608 -15.2445 -19.6644 1.65852 4.00609 1.6585 4.07708 GPRESSAVG: 781400 56.5407 -14.7976 3.26237 -16.6348 -18.6871 2.12291 4.88305 5.15258 3.49686 TIMING: 781400 CPU: 2469.31, 0.00315749/step Wall: 2469.31, 0.00315749/step, 3.70005 hours remaining, 234.207031 MB of memory in use. ENERGY: 781400 4036.5342 20526.1908 14461.0429 258.5953 -203240.5584 2862.8379 0.0000 0.0000 52163.7555 -108931.6018 299.7858 -161095.3573 -108566.3579 299.6960 40.3602 69.6238 763735.6353 13.6964 13.7835 PRESSURE: 781600 -80.7101 -186.536 -160.971 -186.537 224.862 10.4398 -160.97 10.44 119.987 GPRESSURE: 781600 -84.4749 -91.3935 -89.4392 -158.126 300.075 -58.9466 31.1089 -1.0591 112.958 PRESSAVG: 781600 -45.8641 44.3377 26.8948 44.3377 49.6902 6.45792 26.8948 6.45785 5.80623 GPRESSAVG: 781600 -46.968 41.9543 28.9767 47.9384 49.346 4.60544 26.6871 6.5841 6.71098 TIMING: 781600 CPU: 2469.95, 0.00318386/step Wall: 2469.95, 0.00318386/step, 3.73078 hours remaining, 234.207031 MB of memory in use. ENERGY: 781600 4049.1258 20511.0234 14493.9762 243.7034 -203341.8261 2893.2030 0.0000 0.0000 51976.4668 -109174.3274 298.7095 -161150.7942 -108805.0899 299.3410 88.0462 109.5194 762755.6540 3.2108 3.0296 PRESSURE: 781800 -83.5534 19.1182 143.763 19.1182 -314.336 -55.792 143.762 -55.7911 242.064 GPRESSURE: 781800 -31.6789 -8.31908 16.1579 -28.8468 -308.948 51.7724 152.072 -28.4791 268.299 PRESSAVG: 781800 50.8432 2.16441 53.9045 2.16445 24.1699 27.8972 53.9045 27.8971 -4.18079 GPRESSAVG: 781800 50.0252 3.41018 53.2137 0.62365 24.5311 30.9957 54.5485 24.8908 -3.74979 TIMING: 781800 CPU: 2470.58, 0.00317636/step Wall: 2470.58, 0.00317636/step, 3.72181 hours remaining, 234.207031 MB of memory in use. ENERGY: 781800 4018.1792 20511.0601 14509.0534 228.5355 -203284.9652 2731.9301 0.0000 0.0000 51910.3554 -109375.8516 298.3295 -161286.2070 -109018.9186 299.3415 -51.9421 -24.1094 764734.0456 23.6108 23.6022 PRESSURE: 782000 227.741 66.6083 134.457 66.6092 14.4932 -233.818 134.459 -233.818 -171.408 GPRESSURE: 782000 372.181 77.3095 128.22 24.6727 8.2868 -247.382 188.522 -191.093 -213.306 PRESSAVG: 782000 -21.3034 22.3007 22.7433 22.3007 -9.91444 12.9792 22.7433 12.9792 13.3009 GPRESSAVG: 782000 -19.9065 23.9563 21.0413 23.0112 -11.1729 10.2742 21.104 15.4307 13.0652 TIMING: 782000 CPU: 2471.22, 0.00318274/step Wall: 2471.22, 0.00318274/step, 3.72911 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: 782000 3991.5304 20521.3682 14439.4191 248.1432 -203725.8096 3056.8111 0.0000 0.0000 52022.6020 -109445.9358 298.9746 -161468.5377 -109094.2739 299.0615 23.6088 55.7207 761663.8855 -5.9723 -6.0047 PRESSURE: 782200 -100.794 -72.2128 67.0019 -72.2142 285.039 22.243 67.0023 22.2437 521.012 GPRESSURE: 782200 -116.735 -77.5246 -35.5247 -116.548 463.645 -36.65 106.512 73.5874 436.966 PRESSAVG: 782200 5.373 11.058 14.7764 11.058 34.5643 13.6828 14.7764 13.6828 34.386 GPRESSAVG: 782200 4.00461 13.4222 15.7214 9.16693 36.402 15.2706 17.7389 11.0501 33.9411 TIMING: 782200 CPU: 2471.86, 0.00320543/step Wall: 2471.86, 0.00320543/step, 3.75551 hours remaining, 234.207031 MB of memory in use. ENERGY: 782200 4011.3561 20564.9167 14431.4080 246.0153 -204001.8519 3223.0864 0.0000 0.0000 52284.4056 -109240.6638 300.4792 -161525.0694 -108883.1907 299.6692 235.0859 261.2919 762630.1526 24.7744 24.7826 PRESSURE: 782400 219.447 -51.4316 75.1356 -51.4321 208.199 72.471 75.1355 72.4714 573.075 GPRESSURE: 782400 275.516 -85.4988 -45.1147 -27.4431 166.175 87.226 58.7507 -21.7014 639.036 PRESSAVG: 782400 -71.4648 11.0669 -33.257 11.0669 16.7105 -13.2041 -33.2569 -13.204 -14.5874 GPRESSAVG: 782400 -70.4831 8.24414 -34.3357 10.5753 15.6752 -13.4359 -35.1465 -11.4256 -15.3083 TIMING: 782400 CPU: 2472.5, 0.00319331/step Wall: 2472.5, 0.00319331/step, 3.74114 hours remaining, 234.207031 MB of memory in use. ENERGY: 782400 3982.3840 20737.8555 14394.1375 243.6067 -203559.9924 2995.3943 0.0000 0.0000 51965.0859 -109241.5286 298.6441 -161206.6145 -108887.2674 298.9537 333.5737 360.2424 762652.8566 -23.1139 -23.3721 PRESSURE: 782600 -51.0268 180.446 -52.7792 180.446 33.672 185.816 -52.7799 185.815 -196.263 GPRESSURE: 782600 29.4003 113.885 5.1878 138.188 28.5543 209.545 28.2556 272.357 -188.4 PRESSAVG: 782600 16.6995 21.5904 -63.509 21.5904 -15.6548 27.5644 -63.5091 27.5644 24.532 GPRESSAVG: 782600 16.4437 22.3365 -62.0456 22.9388 -15.9784 27.7897 -63.9149 25.3406 25.0297 TIMING: 782600 CPU: 2473.13, 0.00316681/step Wall: 2473.13, 0.00316681/step, 3.70992 hours remaining, 234.207031 MB of memory in use. ENERGY: 782600 4076.0331 20547.7617 14470.3780 243.5405 -203053.8693 2481.0511 0.0000 0.0000 51938.5202 -109296.5847 298.4914 -161235.1049 -108946.8990 298.7855 -71.2058 -43.4818 763453.1074 8.5256 8.4984 PRESSURE: 782800 -350.724 187.525 151.564 187.525 -287.882 16.146 151.565 16.1453 -492.776 GPRESSURE: 782800 -367.157 152.631 141.201 96.1181 -287.649 0.787797 182.422 43.2653 -385.272 PRESSAVG: 782800 51.1083 -9.42373 72.5272 -9.42374 -45.8496 78.5358 72.5273 78.5357 11.4135 GPRESSAVG: 782800 52.4822 -9.04705 71.1476 -7.68266 -46.0561 79.6481 75.2404 78.7686 10.377 TIMING: 782800 CPU: 2473.77, 0.00317257/step Wall: 2473.77, 0.00317257/step, 3.71649 hours remaining, 234.207031 MB of memory in use. ENERGY: 782800 4062.8396 20456.5027 14348.5109 253.0880 -203191.1041 2491.4566 0.0000 0.0000 52188.0251 -109390.6813 299.9253 -161578.7063 -109032.6979 299.0591 -377.1276 -346.6924 763001.7913 5.5574 5.6010 PRESSURE: 783000 159.301 133.289 105.717 133.289 -0.729548 165.882 105.716 165.881 -72.922 GPRESSURE: 783000 302.596 36.8508 66.6106 142.955 -56.693 186.67 90.2364 114.043 -64.0253 PRESSAVG: 783000 14.0575 -31.9848 21.6199 -31.9848 -32.0583 -25.0723 21.6199 -25.0722 0.244265 GPRESSAVG: 783000 13.0949 -30.9697 22.6409 -31.4198 -31.4657 -26.4994 20.8692 -23.7382 0.679888 TIMING: 783000 CPU: 2474.4, 0.00316096/step Wall: 2474.4, 0.00316096/step, 3.70271 hours remaining, 234.207031 MB of memory in use. ENERGY: 783000 3983.6079 20563.4705 14420.6007 266.5017 -203765.8804 2938.6407 0.0000 0.0000 52317.2267 -109275.8323 300.6678 -161593.0590 -108918.4205 299.1282 28.5498 60.6260 762892.7781 -5.9188 -5.8970 PRESSURE: 783200 -293.191 91.5627 55.829 91.5638 145.253 40.9823 55.829 40.9826 66.2329 GPRESSURE: 783200 -225.766 139.073 -27.9794 41.0964 164.637 38.3932 124.622 -59.4231 79.7393 PRESSAVG: 783200 30.7721 10.8399 64.3614 10.8399 3.62766 29.071 64.3615 29.071 26.4674 GPRESSAVG: 783200 29.9958 9.15323 63.0822 9.67657 5.48511 29.8758 62.7643 29.0195 24.9232 TIMING: 783200 CPU: 2475.03, 0.00316259/step Wall: 2475.03, 0.00316259/step, 3.70445 hours remaining, 234.207031 MB of memory in use. ENERGY: 783200 3923.2141 20492.6427 14443.2702 275.1900 -203104.7004 2777.7357 0.0000 0.0000 52063.7354 -109128.9123 299.2110 -161192.6477 -108766.9631 299.1910 -27.2348 6.2033 763949.4140 20.2891 20.1347 PRESSURE: 783400 -26.6738 -104.94 -209.848 -104.939 -19.9332 -148.165 -209.848 -148.164 -390.294 GPRESSURE: 783400 -4.33752 -67.7162 -179.45 -92.9276 36.2976 -150.802 -176.445 -122.968 -385.115 PRESSAVG: 783400 37.3531 1.03353 54.5475 1.03351 -33.0996 10.9728 54.5475 10.9728 1.51635 GPRESSAVG: 783400 39.0767 1.74365 55.0805 -0.730513 -35.0544 8.88435 54.1188 12.4762 2.11599 TIMING: 783400 CPU: 2475.66, 0.00315319/step Wall: 2475.66, 0.00315319/step, 3.69326 hours remaining, 234.207031 MB of memory in use. ENERGY: 783400 3937.8201 20525.3497 14341.3302 234.9597 -202952.6881 2631.4001 0.0000 0.0000 52181.3271 -109100.5013 299.8868 -161281.8284 -108738.7249 299.4530 -145.6335 -117.7182 764051.8995 1.9233 2.0461 PRESSURE: 783600 -235.699 -244.225 -139.849 -244.225 -426.039 135.781 -139.849 135.781 49.7533 GPRESSURE: 783600 -131.222 -121.825 -114.429 -256.339 -473.867 199.726 104.031 35.0041 78.9473 PRESSAVG: 783600 29.2407 -11.7957 8.39827 -11.7957 0.144061 -47.391 8.39828 -47.391 21.4212 GPRESSAVG: 783600 28.0911 -11.502 9.001 -9.19071 0.882099 -45.6096 10.8433 -49.3086 21.5287 TIMING: 783600 CPU: 2476.3, 0.00316674/step Wall: 2476.3, 0.00316674/step, 3.70896 hours remaining, 234.207031 MB of memory in use. ENERGY: 783600 4010.4672 20328.3185 14431.2819 246.4439 -202871.4720 2562.1443 0.0000 0.0000 52036.4480 -109256.3682 299.0542 -161292.8162 -108897.2762 299.5826 -203.9947 -175.3805 764379.0813 16.9353 16.8340 PRESSURE: 783800 86.3075 -72.2701 -201.928 -72.2704 6.69102 202.976 -201.929 202.976 0.824758 GPRESSURE: 783800 109.355 8.70645 -149.077 -106.984 -27.5139 180.377 -163.159 73.681 64.062 PRESSAVG: 783800 -24.2869 19.439 21.8727 19.439 31.7962 -25.1723 21.8727 -25.1724 -3.57832 GPRESSAVG: 783800 -23.4946 20.2023 22.3139 17.2301 30.5121 -24.2029 18.6144 -25.2146 -3.04159 TIMING: 783800 CPU: 2476.93, 0.0031822/step Wall: 2476.93, 0.0031822/step, 3.72689 hours remaining, 234.207031 MB of memory in use. ENERGY: 783800 3968.2226 20628.9491 14456.1997 258.7083 -203720.3881 3191.5947 0.0000 0.0000 51951.1424 -109265.5713 298.5639 -161216.7137 -108894.5595 299.2449 31.2744 48.6344 763141.6348 1.3103 1.3253 PRESSURE: 784000 -195.722 -123.765 -91.0826 -123.766 -520.148 -8.49595 -91.0827 -8.49643 -416.769 GPRESSURE: 784000 -276.159 0.685407 -53.9244 -95.1662 -362.754 -42.4958 -70.5996 -3.80308 -403.947 PRESSAVG: 784000 56.8814 -16.1808 21.4276 -16.1808 -44.1347 -8.27349 21.4275 -8.27351 9.04818 GPRESSAVG: 784000 55.7078 -16.3663 21.4341 -16.2051 -43.1322 -10.6284 22.5903 -7.8853 8.72131 TIMING: 784000 CPU: 2477.57, 0.00319108/step Wall: 2477.57, 0.00319108/step, 3.73711 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: 784000 4003.7001 20393.5152 14516.5730 246.6788 -202727.7341 2412.6041 0.0000 0.0000 51870.7246 -109283.9383 298.1018 -161154.6629 -108916.3160 299.2550 -377.5464 -347.6198 763055.2279 7.2649 7.0990 PRESSURE: 784200 -282.391 242.091 -137.211 242.091 -276.243 27.7186 -137.21 27.7176 -127.395 GPRESSURE: 784200 -183.766 214.525 -158.547 327.012 -216.542 36.6558 18.2627 112.903 -200.442 PRESSAVG: 784200 55.3757 -19.0828 22.638 -19.0828 -26.8743 8.84529 22.638 8.84539 -16.8176 GPRESSAVG: 784200 56.9994 -20.6455 21.6669 -18.4836 -27.7869 9.59036 23.6192 9.416 -17.6567 TIMING: 784200 CPU: 2478.21, 0.00319258/step Wall: 2478.21, 0.00319258/step, 3.73869 hours remaining, 234.207031 MB of memory in use. ENERGY: 784200 3958.6548 20487.4860 14468.7055 239.3169 -203245.2234 2662.7866 0.0000 0.0000 52244.5138 -109183.7598 300.2499 -161428.2736 -108820.1319 299.8538 -228.6762 -200.2499 764172.3631 3.8946 3.8519 LDB: ============= START OF LOAD BALANCING ============== 2490.75 LDB: ============== END OF LOAD BALANCING =============== 2490.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2490.75 LDB: ============= START OF LOAD BALANCING ============== 2491.07 LDB: Largest compute 7058 load 0.031116 is 15.9% of average load 0.195255 LDB: Average compute 0.004423 is 2.3% of average load 0.195255 LDB: TIME 2491.07 LOAD: AVG 0.195255 MAX 0.213805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.324 MB LDB: TIME 2491.07 LOAD: AVG 0.195255 MAX 0.213805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.328 MB LDB: TIME 2491.07 LOAD: AVG 0.195255 MAX 0.213805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.328 MB LDB: ============== END OF LOAD BALANCING =============== 2491.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2491.08 PRESSURE: 784400 -80.2581 176.954 -3.67454 176.954 33.1838 296.486 -3.67537 296.485 156.146 GPRESSURE: 784400 -82.6276 125.782 -110.701 56.9756 25.2973 298.69 77.3914 282.497 239.172 PRESSAVG: 784400 -15.2086 39.9432 44.1667 39.9432 -7.83592 62.6644 44.1667 62.6645 -27.3056 GPRESSAVG: 784400 -14.8403 39.9894 43.9751 40.2901 -7.93093 62.9782 44.5304 61.348 -26.6663 TIMING: 784400 CPU: 2478.86, 0.00325097/step Wall: 2478.86, 0.00325097/step, 3.80689 hours remaining, 232.867188 MB of memory in use. ENERGY: 784400 3886.2479 20683.7796 14377.1741 233.9172 -203447.7995 2907.9112 0.0000 0.0000 51930.1389 -109428.6307 298.4432 -161358.7696 -109064.0188 298.9200 36.3571 60.6137 763294.7878 -16.7834 -16.4792 PRESSURE: 784600 119.361 192.734 -152.389 192.734 166.918 -63.1265 -152.389 -63.1265 -176.727 GPRESSURE: 784600 52.7455 138.915 -164.874 207.394 229.555 -164.28 -178.835 17.4946 -95.6841 PRESSAVG: 784600 -2.66432 20.7652 11.5824 20.7652 -4.25309 -30.766 11.5824 -30.766 23.0934 GPRESSAVG: 784600 -4.0025 19.1528 11.7186 22.0056 -3.87732 -32.4026 10.7382 -29.5988 23.912 TIMING: 784600 CPU: 2479.5, 0.00317699/step Wall: 2479.5, 0.003177/step, 3.72009 hours remaining, 233.125000 MB of memory in use. ENERGY: 784600 3915.7662 20673.6886 14400.9731 257.8506 -203131.9043 2568.1621 0.0000 0.0000 51878.6237 -109436.8401 298.1472 -161315.4638 -109072.9404 298.5130 36.5174 62.2056 763888.6365 5.3920 5.3440 PRESSURE: 784800 -112.588 -66.5642 279.507 -66.5639 -491.398 -83.4137 279.506 -83.4129 143.419 GPRESSURE: 784800 -222.001 62.9042 320.346 -128.542 -324.09 -168.389 231.851 -134.298 164.616 PRESSAVG: 784800 28.8167 -27.6558 33.5484 -27.6558 5.4768 -23.7102 33.5485 -23.7102 3.31498 GPRESSAVG: 784800 29.5227 -24.4445 34.1525 -29.2997 5.46076 -24.7255 33.4947 -23.9575 2.71204 TIMING: 784800 CPU: 2480.13, 0.00315774/step Wall: 2480.13, 0.00315774/step, 3.69737 hours remaining, 233.386719 MB of memory in use. ENERGY: 784800 4014.0204 20647.5863 14476.8180 228.4265 -203275.6453 2543.3252 0.0000 0.0000 51966.4554 -109399.0135 298.6519 -161365.4689 -109045.6091 298.8754 -153.5220 -127.1584 760829.5901 12.5362 12.5652 PRESSURE: 785000 -68.8362 34.0368 -167.106 34.0373 -140.975 30.5925 -167.106 30.5921 159.31 GPRESSURE: 785000 -11.837 78.1781 -161.157 33.597 -67.4909 51.0863 -186.561 123.532 120.088 PRESSAVG: 785000 25.5522 -9.02467 -7.54703 -9.02466 -19.2002 -28.9724 -7.54704 -28.9723 8.80493 GPRESSAVG: 785000 26.0899 -10.2691 -8.90919 -9.99199 -19.7449 -26.7564 -8.81799 -28.3328 8.40826 TIMING: 785000 CPU: 2480.76, 0.00317312/step Wall: 2480.76, 0.00317312/step, 3.71519 hours remaining, 233.398438 MB of memory in use. ENERGY: 785000 3952.0707 20601.8628 14484.7283 248.9159 -203122.9629 2578.5171 0.0000 0.0000 52018.6781 -109238.1901 298.9521 -161256.8681 -108872.0894 299.1662 -16.8338 13.5867 761351.5174 5.0523 4.9177 PRESSURE: 785200 -394.024 53.4924 153.535 53.4926 -86.0267 -22.9322 153.535 -22.9322 -65.8474 GPRESSURE: 785200 -278.548 107.491 181.619 -56.5989 -47.2246 -59.2087 111.827 -205.225 -131.887 PRESSAVG: 785200 30.3376 -16.8499 20.1671 -16.8499 -62.6147 -29.0183 20.167 -29.0183 2.88051 GPRESSAVG: 785200 30.0423 -17.4991 20.7634 -14.6178 -62.4094 -26.6552 22.2883 -30.6286 2.83801 TIMING: 785200 CPU: 2481.4, 0.00318258/step Wall: 2481.4, 0.00318258/step, 3.7261 hours remaining, 233.398438 MB of memory in use. ENERGY: 785200 4077.5945 20587.2778 14378.4744 261.9669 -202995.5930 2374.1147 0.0000 0.0000 52002.3291 -109313.8356 298.8581 -161316.1647 -108956.2639 299.2188 -181.9661 -152.5532 761799.0537 -9.7989 -9.8430 PRESSURE: 785400 12.9679 128.5 160.133 128.5 -214.097 -92.3924 160.132 -92.3929 -233.823 GPRESSURE: 785400 -77.8904 43.3316 131.209 140.778 -85.4429 -88.0329 268.623 -19.0451 -165.805 PRESSAVG: 785400 49.9111 15.3978 -37.3737 15.3978 -21.4905 -24.8324 -37.3737 -24.8323 -5.62534 GPRESSAVG: 785400 49.3162 17.174 -37.975 15.5665 -21.5494 -27.3337 -36.275 -23.1545 -5.28433 TIMING: 785400 CPU: 2482.03, 0.00317448/step Wall: 2482.03, 0.00317448/step, 3.71643 hours remaining, 233.398438 MB of memory in use. ENERGY: 785400 3981.3087 20706.8964 14415.2832 241.3443 -202843.3695 2418.8916 0.0000 0.0000 51788.3809 -109291.2644 297.6285 -161079.6453 -108927.4585 299.0935 -144.9840 -109.7127 761870.9774 7.5984 7.4941 PRESSURE: 785600 -194.548 221.993 -180.366 221.992 -197.532 -94.2099 -180.365 -94.2094 -49.6033 GPRESSURE: 785600 -73.402 182.314 -127.234 284.131 -293.291 -44.9349 -126.269 6.98505 0.488484 PRESSAVG: 785600 -4.40398 20.2392 19.2973 20.2393 13.5642 -0.332888 19.2973 -0.332913 -13.3758 GPRESSAVG: 785600 -3.56232 18.8561 20.2201 19.5473 13.36 0.140478 19.4012 0.153962 -13.7515 TIMING: 785600 CPU: 2482.67, 0.00316587/step Wall: 2482.67, 0.00316587/step, 3.70618 hours remaining, 233.398438 MB of memory in use. ENERGY: 785600 4086.8793 20601.3423 14453.3042 248.8334 -202713.2779 2281.6043 0.0000 0.0000 51807.4405 -109233.8739 297.7381 -161041.3144 -108871.8922 298.4556 -147.2279 -122.0681 762633.9860 -1.4052 -1.3179 PRESSURE: 785800 -62.9701 -10.1067 5.16432 -10.1057 -447.592 179.06 5.16383 179.06 -336.6 GPRESSURE: 785800 5.07051 5.00807 3.92369 42.4958 -372.864 156.781 67.6339 136.554 -405.823 PRESSAVG: 785800 -38.8692 -26.3229 -10.0166 -26.3229 8.63782 -6.23971 -10.0166 -6.23968 -23.0642 GPRESSAVG: 785800 -38.3775 -26.7028 -10.5555 -24.5964 8.49768 -5.94307 -11.7349 -7.47978 -23.4401 TIMING: 785800 CPU: 2483.3, 0.00317364/step Wall: 2483.3, 0.00317364/step, 3.7151 hours remaining, 233.398438 MB of memory in use. ENERGY: 785800 4023.6051 20625.8734 14405.7800 246.7896 -202774.5125 2186.0853 0.0000 0.0000 51772.9765 -109513.4026 297.5400 -161286.3791 -109157.2023 298.6151 -282.3872 -257.8722 762359.9339 -17.7652 -17.7733 PRESSURE: 786000 -25.1007 -127.481 -247.265 -127.481 -142.311 -189.1 -247.264 -189.1 -5.16581 GPRESSURE: 786000 -42.3163 1.12792 -277.924 -168.392 -62.2177 -224.334 -211.591 -142.735 8.64743 PRESSAVG: 786000 28.8353 -29.5107 1.6623 -29.5107 -30.838 -22.1146 1.66233 -22.1144 2.20215 GPRESSAVG: 786000 27.9032 -27.9832 0.714052 -30.8461 -29.1782 -21.595 2.29525 -21.567 1.45077 TIMING: 786000 CPU: 2483.94, 0.00318027/step Wall: 2483.94, 0.00318027/step, 3.72268 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: 786000 4001.1133 20575.5105 14446.9995 238.6731 -203296.1233 2694.2036 0.0000 0.0000 52003.4986 -109336.1247 298.8648 -161339.6234 -108973.7133 298.6843 -57.5257 -31.9622 763219.0497 0.0665 0.0586 PRESSURE: 786200 120.107 82.0744 120.832 82.0743 213.516 288.202 120.832 288.202 32.7865 GPRESSURE: 786200 88.627 117.739 104.381 68.5257 273.148 202.104 141.8 253.345 95.552 PRESSAVG: 786200 -37.7707 51.3283 -26.8532 51.3283 55.5793 -26.4654 -26.8532 -26.4654 13.5759 GPRESSAVG: 786200 -37.7495 50.2622 -24.1582 51.5107 54.5605 -28.2442 -27.9216 -26.2085 14.5139 TIMING: 786200 CPU: 2484.57, 0.00317098/step Wall: 2484.57, 0.00317098/step, 3.71163 hours remaining, 233.398438 MB of memory in use. ENERGY: 786200 3957.3644 20497.1349 14453.4439 255.1274 -202811.7079 2535.9853 0.0000 0.0000 52017.1764 -109095.4756 298.9434 -161112.6520 -108736.0309 299.0890 122.1365 152.4423 761662.0162 10.4615 10.4416 PRESSURE: 786400 -29.1339 113.523 -67.3276 113.523 49.312 -205.494 -67.3265 -205.493 23.6622 GPRESSURE: 786400 -5.94238 64.4116 -6.0355 187.066 109.115 -185.964 -100.981 -173.928 16.3513 PRESSAVG: 786400 25.3958 37.2136 7.43491 37.2136 -1.67053 -48.1296 7.43487 -48.1295 -9.65707 GPRESSAVG: 786400 25.3205 35.5984 5.24134 39.6656 -2.26864 -45.7495 7.68841 -49.4502 -9.03343 TIMING: 786400 CPU: 2485.2, 0.00316848/step Wall: 2485.2, 0.00316848/step, 3.70853 hours remaining, 233.398438 MB of memory in use. ENERGY: 786400 3919.1817 20715.4035 14469.9284 279.7460 -202471.6420 2055.7588 0.0000 0.0000 52108.9603 -108922.6632 299.4709 -161031.6235 -108555.7935 299.6769 14.6134 39.8414 763467.8180 4.6894 4.6728 PRESSURE: 786600 175.717 -46.5696 -62.0263 -46.5694 -209.554 132.785 -62.0264 132.786 -196.216 GPRESSURE: 786600 216.809 -19.1698 -70.6104 -165.633 -160.987 205.026 48.7181 88.0116 -206.785 PRESSAVG: 786600 -13.8035 7.97478 7.85765 7.97482 -27.4672 -77.5786 7.85761 -77.5787 -23.0214 GPRESSAVG: 786600 -13.3482 8.75477 9.16323 5.70247 -26.7471 -77.6723 9.27682 -78.6044 -24.2158 TIMING: 786600 CPU: 2485.84, 0.00318095/step Wall: 2485.84, 0.00318095/step, 3.72295 hours remaining, 233.398438 MB of memory in use. ENERGY: 786600 4148.4573 20615.2329 14425.5203 257.1629 -203136.8445 2856.6891 0.0000 0.0000 51929.5234 -108904.2586 298.4397 -160833.7820 -108541.0144 299.8049 -76.6842 -50.3208 762596.1369 -21.4307 -21.4371 PRESSURE: 786800 -37.7606 208.177 -69.0786 208.178 293.642 -64.822 -69.0786 -64.8212 -197.991 GPRESSURE: 786800 -90.0882 133.261 -88.1334 143.954 300.396 -38.3459 -163.356 -81.249 -85.7834 PRESSAVG: 786800 -27.3259 -24.2235 -41.7162 -24.2235 12.4046 -39.5632 -41.7162 -39.5632 5.5235 GPRESSAVG: 786800 -27.3353 -25.1935 -43.7973 -23.9731 12.4794 -40.5011 -45.2801 -36.7565 6.08803 TIMING: 786800 CPU: 2486.48, 0.00317871/step Wall: 2486.48, 0.00317871/step, 3.72015 hours remaining, 233.398438 MB of memory in use. ENERGY: 786800 3984.1993 20548.0171 14496.3398 253.8574 -202618.1945 2327.2913 0.0000 0.0000 51943.1964 -109065.2932 298.5183 -161008.4896 -108704.5758 299.9651 19.2969 41.5081 762743.8968 -3.1326 -2.9226 PRESSURE: 787000 -197.729 -94.0996 122.115 -94.1001 -105.872 -73.5498 122.115 -73.5497 311.577 GPRESSURE: 787000 -158.169 -0.573437 153.292 -107.953 -105.56 -67.4958 130.311 -93.2691 338.485 PRESSAVG: 787000 -22.6593 26.702 -9.20526 26.702 -31.5678 -10.386 -9.20531 -10.386 2.45524 GPRESSAVG: 787000 -22.7579 27.3871 -8.25748 27.3618 -31.813 -11.4558 -6.89477 -11.3095 2.34981 TIMING: 787000 CPU: 2487.11, 0.00318017/step Wall: 2487.11, 0.00318017/step, 3.72168 hours remaining, 233.398438 MB of memory in use. ENERGY: 787000 3968.5360 20565.3447 14448.1923 250.4356 -203107.4525 2699.7789 0.0000 0.0000 51890.6923 -109284.4727 298.2165 -161175.1651 -108926.2782 299.2794 2.6583 24.9188 761947.2937 -17.2573 -17.4070 PRESSURE: 787200 76.6339 192.777 -133.659 192.776 -72.1693 67.5006 -133.659 67.5012 -90.922 GPRESSURE: 787200 137.567 180.818 -172.71 133.1 -21.0638 36.8161 -49.5755 92.1832 -129.478 PRESSAVG: 787200 87.4346 61.3195 -59.7317 61.3195 -55.6512 11.1009 -59.7316 11.101 11.6887 GPRESSAVG: 787200 86.5955 60.3923 -60.0223 59.6609 -54.4805 12.1448 -59.9673 12.9078 11.2795 TIMING: 787200 CPU: 2487.75, 0.00317521/step Wall: 2487.75, 0.00317521/step, 3.7157 hours remaining, 233.398438 MB of memory in use. ENERGY: 787200 3938.4301 20433.0017 14375.2917 260.0440 -203120.0295 2793.5232 0.0000 0.0000 52183.6223 -109136.1165 299.9000 -161319.7388 -108776.2524 299.7594 -28.8192 -4.3249 759729.6417 14.4907 14.4648 PRESSURE: 787400 20.6655 -25.3081 -136.582 -25.3074 -146.241 167.556 -136.581 167.555 -89.5227 GPRESSURE: 787400 79.5029 21.6082 -140.442 107.037 -43.6034 199.131 -41.1234 223.415 -150.974 PRESSAVG: 787400 9.97915 57.4874 -7.33474 57.4874 -32.7618 22.5097 -7.33471 22.5097 6.10133 GPRESSAVG: 787400 10.5243 59.3995 -7.81261 56.4551 -33.4361 24.9815 -4.41532 21.499 6.12687 TIMING: 787400 CPU: 2488.38, 0.00314733/step Wall: 2488.38, 0.00314733/step, 3.6829 hours remaining, 233.398438 MB of memory in use. ENERGY: 787400 3914.9160 20518.5513 14445.9456 251.8979 -203266.0237 2641.0846 0.0000 0.0000 52256.5195 -109237.1087 300.3189 -161493.6282 -108866.3133 299.9937 -71.6994 -38.3581 763582.1991 -5.5605 -5.5950 PRESSURE: 787600 -243.073 -20.9536 131.994 -20.9534 -326.668 -171.277 131.994 -171.277 196.064 GPRESSURE: 787600 -178.751 -72.1037 147.12 49.3136 -322.083 -82.8291 -91.6932 -92.8129 205.595 PRESSAVG: 787600 -4.12546 21.3777 7.46185 21.3776 53.5366 38.6378 7.46177 38.6378 16.3975 GPRESSAVG: 787600 -4.31922 18.9979 7.74787 23.1752 53.1516 38.6313 3.08349 38.4155 16.4566 TIMING: 787600 CPU: 2489.01, 0.00317872/step Wall: 2489.01, 0.00317872/step, 3.71946 hours remaining, 233.398438 MB of memory in use. ENERGY: 787600 4000.9057 20528.0835 14406.3028 234.0034 -203502.4625 2942.0010 0.0000 0.0000 52263.6060 -109127.5601 300.3597 -161391.1661 -108759.1709 300.0289 -124.5590 -98.4129 763579.2540 21.9362 21.7630 PRESSURE: 787800 -345.251 76.0024 134.209 76.0031 189.99 61.2388 134.209 61.239 -257.725 GPRESSURE: 787800 -181.227 -33.3869 214.119 -59.1425 83.2602 146.268 192.35 -24.2856 -232.341 PRESSAVG: 787800 -7.44266 14.0044 1.86758 14.0044 -43.9361 36.2656 1.86754 36.2656 -12.7426 GPRESSAVG: 787800 -7.65122 15.6886 3.09807 13.9523 -45.4333 35.5606 3.99781 35.8608 -11.237 TIMING: 787800 CPU: 2489.65, 0.00316205/step Wall: 2489.65, 0.00316205/step, 3.69978 hours remaining, 233.398438 MB of memory in use. ENERGY: 787800 3931.1712 20538.9042 14435.6270 247.2033 -203370.5275 2827.4811 0.0000 0.0000 52099.3371 -109290.8036 299.4156 -161390.1406 -108931.1679 300.0915 -137.6618 -110.1026 763608.5688 -21.3738 -21.4405 PRESSURE: 788000 -268.856 117.244 -164.821 117.244 211.691 57.4882 -164.821 57.4881 -606.396 GPRESSURE: 788000 -218.49 214.648 -246.912 99.4103 231.039 44.4132 -51.1423 96.7045 -580.156 PRESSAVG: 788000 -12.9708 -35.9135 -12.1216 -35.9135 17.6624 -6.53685 -12.1215 -6.53677 -10.7978 GPRESSAVG: 788000 -13.0647 -34.1074 -13.4867 -38.0784 18.6402 -6.55868 -12.5652 -6.02935 -11.8784 TIMING: 788000 CPU: 2490.28, 0.00318815/step Wall: 2490.28, 0.00318815/step, 3.73014 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: 788000 3956.3180 20578.2057 14410.4118 247.1655 -203094.9685 2562.7180 0.0000 0.0000 52094.2382 -109245.9114 299.3863 -161340.1496 -108882.5790 299.3724 -221.1868 -189.2021 762581.4943 -2.0354 -2.1010 PRESSURE: 788200 -69.8584 -17.5925 -26.0109 -17.5921 -200.941 -89.3723 -26.0098 -89.3714 61.0649 GPRESSURE: 788200 -82.8147 145.497 56.6208 1.39925 -129.061 -65.5171 83.2179 -58.2706 82.9466 PRESSAVG: 788200 -88.7662 -4.33102 7.51139 -4.33101 77.3173 55.8876 7.51135 55.8875 23.5336 GPRESSAVG: 788200 -88.2838 -6.3688 7.97031 -3.33371 77.4937 56.6296 7.91496 55.3343 23.1294 TIMING: 788200 CPU: 2490.92, 0.00317582/step Wall: 2490.92, 0.00317583/step, 3.71554 hours remaining, 233.398438 MB of memory in use. ENERGY: 788200 3887.8245 20571.8520 14468.8099 266.4047 -203204.5411 2651.4219 0.0000 0.0000 51981.3380 -109376.8900 298.7375 -161358.2281 -109021.9151 299.6468 -69.9115 -42.9763 762626.0425 4.0282 4.1131 LDB: ============= START OF LOAD BALANCING ============== 2503.45 LDB: ============== END OF LOAD BALANCING =============== 2503.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2503.45 LDB: ============= START OF LOAD BALANCING ============== 2503.77 LDB: Largest compute 7057 load 0.032251 is 16.5% of average load 0.195288 LDB: Average compute 0.004407 is 2.3% of average load 0.195288 LDB: TIME 2503.78 LOAD: AVG 0.195288 MAX 0.213857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 2503.78 LOAD: AVG 0.195288 MAX 0.213857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.945 MB LDB: TIME 2503.78 LOAD: AVG 0.195288 MAX 0.213857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.945 MB LDB: ============== END OF LOAD BALANCING =============== 2503.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2503.78 PRESSURE: 788400 -54.2066 -195.744 44.578 -195.744 -242.474 -315.91 44.5779 -315.911 3.73359 GPRESSURE: 788400 -42.4827 -205.579 -42.5817 -161.808 -209.09 -227.696 -23.7542 -262.328 60.8737 PRESSAVG: 788400 -1.78135 -10.4298 48.568 -10.4297 20.9608 20.0391 48.568 20.0389 -16.7468 GPRESSAVG: 788400 -2.48682 -10.1305 49.9833 -9.60613 21.7028 18.7827 48.3475 21.0211 -16.7049 TIMING: 788400 CPU: 2491.57, 0.00324179/step Wall: 2491.57, 0.00324179/step, 3.79253 hours remaining, 232.355469 MB of memory in use. ENERGY: 788400 3972.6769 20485.7044 14364.4725 239.2207 -202986.5721 2615.1262 0.0000 0.0000 52024.5888 -109284.7824 298.9860 -161309.3712 -108923.6968 299.3990 -97.6490 -63.5662 762511.7278 0.8109 0.8370 PRESSURE: 788600 102.945 -89.5571 -82.9724 -89.5581 -104.384 46.8903 -82.9733 46.8912 4.69571 GPRESSURE: 788600 217.623 -83.9498 -32.754 -85.76 -128.663 76.4561 -54.4328 8.56666 -9.22663 PRESSAVG: 788600 15.1593 15.1527 -22.309 15.1527 -40.4372 -3.72262 -22.309 -3.72269 7.50801 GPRESSAVG: 788600 15.5543 17.1931 -22.2528 13.8028 -40.9543 -4.97108 -22.124 -4.73432 7.72301 TIMING: 788600 CPU: 2492.2, 0.00317274/step Wall: 2492.2, 0.00317274/step, 3.71157 hours remaining, 232.480469 MB of memory in use. ENERGY: 788600 4006.8254 20514.2120 14327.1276 246.9786 -202887.2610 2556.7455 0.0000 0.0000 51924.4545 -109310.9174 298.4106 -161235.3719 -108953.1123 299.4151 1.0856 26.5780 762331.8674 -5.9233 -5.8923 PRESSURE: 788800 -72.5047 81.675 -90.4107 81.6754 -11.9299 30.7779 -90.4096 30.7781 293.346 GPRESSURE: 788800 23.1155 134.163 -83.6035 136.343 -10.7829 -5.33094 -9.57199 42.1714 286.882 PRESSAVG: 788800 53.1769 37.852 10.8698 37.852 -59.5826 27.4147 10.8699 27.4147 -11.0524 GPRESSAVG: 788800 54.4025 36.7961 10.0505 39.3704 -59.2589 29.4299 11.3764 26.9941 -12.442 TIMING: 788800 CPU: 2492.84, 0.00317551/step Wall: 2492.84, 0.00317551/step, 3.71464 hours remaining, 232.480469 MB of memory in use. ENERGY: 788800 3978.0063 20478.9407 14452.3077 263.9687 -203038.9233 2751.2562 0.0000 0.0000 51847.0970 -109267.3467 297.9660 -161114.4438 -108902.1690 299.0657 69.6370 99.7383 762266.0855 -5.8194 -5.7661 PRESSURE: 789000 324.717 -152.344 50.9216 -152.344 -71.1461 -194.161 50.9217 -194.161 430.543 GPRESSURE: 789000 271.185 -125.555 103.232 -182.873 58.8784 -221.943 54.6585 -121.369 457.741 PRESSAVG: 789000 9.04472 -20.3845 32.6505 -20.3845 -17.7878 10.8825 32.6506 10.8824 -14.7438 GPRESSAVG: 789000 7.09807 -22.7356 32.6204 -21.1301 -18.4698 8.89009 33.9675 12.0616 -12.4687 TIMING: 789000 CPU: 2493.47, 0.00318614/step Wall: 2493.47, 0.00318614/step, 3.7269 hours remaining, 232.480469 MB of memory in use. ENERGY: 789000 3987.2911 20332.8084 14454.8254 257.9731 -203474.9573 2850.7802 0.0000 0.0000 52064.6365 -109526.6426 299.2162 -161591.2791 -109165.2050 298.9802 228.0381 262.6013 761554.8874 -7.8290 -7.9468 PRESSURE: 789200 -52.6883 -46.0698 -32.9558 -46.0704 -301.49 -95.3285 -32.956 -95.3274 -19.2767 GPRESSURE: 789200 -15.9822 -40.8986 -76.258 31.0734 -287.4 -195.222 -50.745 -91.7907 -4.85938 PRESSAVG: 789200 65.1297 -13.9017 27.4024 -13.9016 -63.1146 -0.190385 27.4024 -0.190433 12.2471 GPRESSAVG: 789200 65.554 -12.1632 27.2984 -14.0234 -62.0627 1.75863 27.6319 -1.07324 11.1619 TIMING: 789200 CPU: 2494.11, 0.00316728/step Wall: 2494.11, 0.00316728/step, 3.70467 hours remaining, 232.480469 MB of memory in use. ENERGY: 789200 3885.0659 20504.2661 14427.2060 279.0605 -202910.2416 2421.9044 0.0000 0.0000 51963.7206 -109429.0182 298.6362 -161392.7387 -109059.4779 298.5765 -124.4851 -102.7473 766099.3691 4.7540 4.8844 PRESSURE: 789400 -223.823 -92.4947 190.008 -92.4948 -118.994 -6.50263 190.009 -6.50245 -305.562 GPRESSURE: 789400 -145.595 -116.716 187.312 -123.162 -85.671 -26.606 127.623 0.014111 -327.445 PRESSAVG: 789400 4.07161 -33.0496 -9.33562 -33.0496 -16.9176 12.7285 -9.3356 12.7286 -3.88916 GPRESSAVG: 789400 4.33167 -33.2288 -7.42921 -32.359 -17.1487 9.66437 -12.0696 14.9812 -3.77859 TIMING: 789400 CPU: 2494.75, 0.00318976/step Wall: 2494.75, 0.00318976/step, 3.73078 hours remaining, 232.480469 MB of memory in use. ENERGY: 789400 4092.7639 20381.0338 14409.4648 246.5396 -203093.1251 2564.9386 0.0000 0.0000 51887.9828 -109510.4015 298.2010 -161398.3843 -109141.6218 298.9759 -216.1265 -186.2368 764416.4324 -5.5784 -5.5319 PRESSURE: 789600 -81.0786 -7.77159 140.316 -7.77159 -403.513 94.9256 140.316 94.926 -338.287 GPRESSURE: 789600 -87.1598 27.512 173.346 -54.1818 -352.42 51.3977 60.825 1.51011 -307.861 PRESSAVG: 789600 -12.2944 -19.2157 57.9934 -19.2157 26.6633 -19.3539 57.9934 -19.3538 -5.77523 GPRESSAVG: 789600 -12.0508 -20.3698 57.5635 -16.8729 25.2064 -19.2175 60.2254 -21.7285 -4.97275 TIMING: 789600 CPU: 2495.38, 0.00318095/step Wall: 2495.38, 0.00318095/step, 3.7203 hours remaining, 232.480469 MB of memory in use. ENERGY: 789600 3938.3388 20653.6436 14424.8640 250.1725 -203683.8464 2799.0644 0.0000 0.0000 52031.4398 -109586.3234 299.0254 -161617.7631 -109228.2286 298.6746 -274.2930 -249.1467 763202.0524 2.8646 2.7276 PRESSURE: 789800 -157.602 -115.781 -92.4169 -115.78 -47.8597 -13.7858 -92.416 -13.7855 119.918 GPRESSURE: 789800 -167.243 -65.0324 -90.3121 -52.0788 -13.9943 -52.0935 -140.792 69.737 162.833 PRESSAVG: 789800 4.94134 56.1629 12.763 56.1629 32.8168 12.41 12.763 12.41 8.51492 GPRESSAVG: 789800 3.73439 57.7531 11.1968 54.7601 35.5335 14.1537 11.4882 12.2827 7.09165 TIMING: 789800 CPU: 2496.02, 0.00318875/step Wall: 2496.02, 0.00318875/step, 3.72924 hours remaining, 232.480469 MB of memory in use. ENERGY: 789800 4001.2694 20627.7247 14357.2383 249.2101 -203063.1499 2625.9677 0.0000 0.0000 51679.1562 -109522.5835 297.0008 -161201.7397 -109167.8535 298.6762 -28.5145 -6.1346 763349.6172 15.4244 15.4532 PRESSURE: 790000 -362.496 38.892 -119.875 38.8923 -62.6823 -81.5355 -119.874 -81.5361 -173.948 GPRESSURE: 790000 -244.68 55.1301 -133.717 -49.921 -85.4935 -112.671 80.0465 -108.742 -175.497 PRESSAVG: 790000 -37.269 57.8157 -7.0786 57.8158 54.7457 -19.358 -7.0786 -19.358 -12.7797 GPRESSAVG: 790000 -36.8289 57.174 -5.34807 56.8235 52.5843 -20.8687 -6.62661 -19.1266 -11.5086 TIMING: 790000 CPU: 2496.66, 0.00319308/step Wall: 2496.66, 0.00319308/step, 3.73413 hours remaining, 232.480469 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: 790000 4095.5584 20491.8801 14399.4186 238.3428 -202871.0751 2323.7704 0.0000 0.0000 51928.8725 -109393.2322 298.4359 -161322.1047 -109021.9304 298.5624 -199.7088 -168.5567 762979.5230 1.5657 1.4156 PRESSURE: 790200 43.4844 -61.8135 -262.958 -61.8135 -123.836 120.974 -262.958 120.973 -69.9077 GPRESSURE: 790200 10.6637 -143.668 -210.482 14.5088 34.2087 167.64 -331.963 102.801 -113.679 PRESSAVG: 790200 -30.19 -2.10829 8.53943 -2.10826 25.555 39.5696 8.53942 39.5697 -5.37894 GPRESSAVG: 790200 -31.2043 -2.53977 8.4417 -0.378787 26.185 40.3594 8.62279 38.5769 -5.44032 TIMING: 790200 CPU: 2497.29, 0.0031786/step Wall: 2497.29, 0.0031786/step, 3.71702 hours remaining, 232.480469 MB of memory in use. ENERGY: 790200 3951.9227 20492.8785 14392.3672 240.0798 -203175.6416 2628.3741 0.0000 0.0000 51978.3389 -109491.6803 298.7202 -161470.0192 -109129.6888 298.7560 -50.0864 -22.9356 761866.6712 -3.3380 -3.4865 PRESSURE: 790400 -449.666 -40.7792 -35.8898 -40.779 -218.446 -75.2941 -35.8895 -75.2949 -145.302 GPRESSURE: 790400 -377.774 18.9788 -23.5914 -12.3005 -204.204 5.35834 -110.461 -161.414 -162.328 PRESSAVG: 790400 18.3018 -25.5704 -12.4913 -25.5704 -13.6012 -16.3477 -12.4913 -16.3478 -13.2935 GPRESSAVG: 790400 19.4874 -25.1854 -12.9893 -25.8624 -13.4429 -17.0009 -13.2562 -14.5883 -14.4415 TIMING: 790400 CPU: 2497.93, 0.00319157/step Wall: 2497.93, 0.00319157/step, 3.73201 hours remaining, 232.480469 MB of memory in use. ENERGY: 790400 3950.0176 20433.0292 14429.2392 246.9151 -202589.9841 2202.0434 0.0000 0.0000 51887.4469 -109441.2927 298.1979 -161328.7397 -109078.7835 298.1924 -271.1379 -248.1020 761437.8766 -2.8643 -2.7990 PRESSURE: 790600 14.2283 122.548 -164.975 122.549 70.4607 131.012 -164.975 131.012 111.672 GPRESSURE: 790600 19.49 135.602 -127.538 67.7412 131.712 77.0114 -101.834 161.954 147.722 PRESSAVG: 790600 17.9322 36.9755 -18.8465 36.9755 -18.1706 30.747 -18.8465 30.7469 11.3394 GPRESSAVG: 790600 16.2484 37.4239 -18.2885 36.4378 -17.1997 31.4393 -18.8946 31.4595 12.152 TIMING: 790600 CPU: 2498.57, 0.00319125/step Wall: 2498.57, 0.00319125/step, 3.73145 hours remaining, 232.480469 MB of memory in use. ENERGY: 790600 3945.5808 20459.4013 14373.5081 254.9690 -203016.9033 2575.8012 0.0000 0.0000 52121.9278 -109285.7152 299.5454 -161407.6430 -108913.5881 299.0862 65.4535 99.6414 762598.1697 3.7004 3.7336 PRESSURE: 790800 175.005 83.3522 -75.6483 83.3514 460.56 -111.815 -75.6482 -111.815 -65.3074 GPRESSURE: 790800 242.939 -61.7203 -46.977 137.577 444.744 -93.4207 -98.1704 -13.8128 -27.072 PRESSAVG: 790800 -28.0525 41.3132 -18.8061 41.3131 -10.9547 -19.6426 -18.8062 -19.6426 5.15604 GPRESSAVG: 790800 -27.9829 40.2044 -21.2158 41.4477 -12.8645 -19.9391 -17.9377 -20.7602 6.06733 TIMING: 790800 CPU: 2499.2, 0.00315524/step Wall: 2499.2, 0.00315525/step, 3.68918 hours remaining, 232.480469 MB of memory in use. ENERGY: 790800 3951.9469 20395.7314 14409.4243 251.0662 -203162.2963 2729.5483 0.0000 0.0000 52198.0768 -109226.5024 299.9831 -161424.5792 -108866.1459 299.3145 190.0859 220.2035 760685.6971 -11.2837 -11.5934 PRESSURE: 791000 -405.026 -168.57 -21.4478 -168.57 -321.399 69.6127 -21.4465 69.6135 -459.097 GPRESSURE: 791000 -277.251 -92.283 5.52749 -223.837 -383.422 30.1072 -26.6751 206.665 -444.554 PRESSAVG: 791000 4.17301 -1.78745 -0.173428 -1.78746 23.1208 -18.8259 -0.173362 -18.8259 -15.9665 GPRESSAVG: 791000 5.99667 -0.432647 2.4727 -3.03904 22.4923 -19.6248 -1.41764 -17.6489 -17.3439 TIMING: 791000 CPU: 2499.84, 0.00317133/step Wall: 2499.84, 0.00317133/step, 3.70782 hours remaining, 232.480469 MB of memory in use. ENERGY: 791000 4047.7063 20450.1697 14435.0960 235.9023 -202887.5134 2179.5205 0.0000 0.0000 52137.6795 -109401.4392 299.6360 -161539.1187 -109038.6653 299.0329 -395.1739 -368.4093 761270.3558 3.7758 3.7150 PRESSURE: 791200 29.338 -59.1237 -129.414 -59.1238 -165.804 100.945 -129.415 100.945 218.103 GPRESSURE: 791200 -14.9289 -162.384 -78.1479 -38.4291 -90.6222 176.895 -141.642 41.8144 280.294 PRESSAVG: 791200 -0.240154 -30.6142 -13.2035 -30.6142 30.7925 40.618 -13.2036 40.618 -2.06701 GPRESSAVG: 791200 -1.54915 -31.8853 -13.3701 -29.3576 32.5974 43.2523 -13.1745 39.6689 -2.79815 TIMING: 791200 CPU: 2500.47, 0.00316536/step Wall: 2500.47, 0.00316536/step, 3.70066 hours remaining, 232.480469 MB of memory in use. ENERGY: 791200 3906.4202 20401.6333 14340.3784 256.3702 -202944.1534 2433.1392 0.0000 0.0000 52109.7602 -109496.4518 299.4755 -161606.2120 -109129.7620 298.9136 27.2124 58.2476 761460.3814 9.4951 9.4167 PRESSURE: 791400 54.6327 -68.7682 93.3883 -68.7693 -544.432 -101.656 93.3885 -101.657 49.0653 GPRESSURE: 791400 73.353 16.3857 53.4111 -33.5265 -471.214 -64.851 166.003 -182.62 40.9203 PRESSAVG: 791400 -5.93553 2.6822 15.9271 2.68211 -21.6958 46.61 15.9271 46.6101 -12.8563 GPRESSAVG: 791400 -7.33977 3.39802 14.8483 1.66073 -21.8096 45.8145 15.5829 44.1101 -11.8941 TIMING: 791400 CPU: 2501.1, 0.0031634/step Wall: 2501.1, 0.0031634/step, 3.69819 hours remaining, 232.480469 MB of memory in use. ENERGY: 791400 3973.5551 20397.0455 14433.2176 245.4204 -203335.4534 2193.6938 0.0000 0.0000 52424.1037 -109668.4175 301.2820 -162092.5212 -109307.0564 298.8971 -146.9112 -118.9801 760563.2934 -13.4959 -13.6812 PRESSURE: 791600 431.086 -67.4243 -113.176 -67.4243 -89.83 -40.693 -113.176 -40.6932 16.3519 GPRESSURE: 791600 388.548 19.4702 -163.094 -64.8789 -30.6006 19.2339 -230.016 -17.9228 69.6127 PRESSAVG: 791600 24.9543 26.1306 -16.4277 26.1306 -15.4312 37.0355 -16.4277 37.0355 -11.7251 GPRESSAVG: 791600 24.8296 27.5214 -15.8503 26.0834 -15.9126 37.1612 -16.8969 37.6054 -11.5861 TIMING: 791600 CPU: 2501.73, 0.0031614/step Wall: 2501.73, 0.0031614/step, 3.69568 hours remaining, 232.480469 MB of memory in use. ENERGY: 791600 3989.5403 20534.8787 14307.2325 230.1275 -203631.9819 2714.9233 0.0000 0.0000 52162.6458 -109692.6339 299.7794 -161855.2797 -109337.0804 298.8013 119.2027 142.5201 759765.8942 -0.7340 -0.8897 PRESSURE: 791800 -226.426 -107.639 222.129 -107.639 -114.384 -61.3539 222.128 -61.3545 208.746 GPRESSURE: 791800 -172.999 -75.5683 173.085 -99.2454 -120.044 -158.495 185.662 107.368 233.141 PRESSAVG: 791800 4.51603 16.8301 62.4413 16.8301 -4.87326 21.741 62.4414 21.7409 -1.59034 GPRESSAVG: 791800 4.62399 14.1539 62.7831 17.5821 -5.17737 21.9979 61.9081 24.4815 -1.49037 TIMING: 791800 CPU: 2502.36, 0.00314696/step Wall: 2502.36, 0.00314696/step, 3.67863 hours remaining, 232.480469 MB of memory in use. ENERGY: 791800 3975.5569 20510.6863 14312.5336 255.1284 -203572.8803 2711.4174 0.0000 0.0000 51880.8347 -109926.7230 298.1599 -161807.5577 -109560.2037 298.8269 -44.0215 -19.9671 761293.3671 -0.6492 -0.6812 PRESSURE: 792000 -251.637 -92.2492 -121.762 -92.2489 442.743 -185.518 -121.763 -185.52 68.0138 GPRESSURE: 792000 -79.0912 -104.097 -149.174 -28.2957 374.481 -130.956 -49.3347 -217.237 45.2834 PRESSAVG: 792000 -20.9859 34.7649 62.93 34.765 49.0156 -1.72537 62.9301 -1.72543 -17.6602 GPRESSAVG: 792000 -20.7785 38.2634 61.3693 32.8775 49.6821 -2.44245 65.0829 -2.9992 -19.2732 TIMING: 792000 CPU: 2502.99, 0.00314087/step Wall: 2502.99, 0.00314087/step, 3.67133 hours remaining, 232.480469 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: 792000 3983.0476 20514.3059 14410.4813 239.5158 -203417.1104 2582.5677 0.0000 0.0000 51634.0083 -110053.1839 296.7414 -161687.1922 -109692.7139 298.1897 86.3733 113.5579 759841.4588 3.4565 3.2101 PRESSURE: 792200 86.5019 -79.7534 -58.5278 -79.7542 -78.2002 78.6115 -58.527 78.6108 -18.0577 GPRESSURE: 792200 97.5791 -77.2612 -61.2812 -84.5738 12.1871 127.139 -11.6152 15.6655 -19.4719 PRESSAVG: 792200 1.78004 -58.4503 13.272 -58.4504 20.4978 -58.4349 13.272 -58.4349 -3.76095 GPRESSAVG: 792200 1.30952 -60.0411 13.1421 -58.4331 20.4789 -59.2947 13.2154 -58.1054 -3.32598 TIMING: 792200 CPU: 2503.62, 0.0031708/step Wall: 2503.62, 0.00317079/step, 3.70613 hours remaining, 232.480469 MB of memory in use. ENERGY: 792200 3980.2835 20442.8138 14409.3537 244.7334 -203626.0747 2782.3837 0.0000 0.0000 51969.0365 -109797.4701 298.6668 -161766.5066 -109440.5660 298.0247 -3.2520 30.0981 760536.3452 6.1723 6.1541 LDB: ============= START OF LOAD BALANCING ============== 2516.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2516.16 LDB: =============== DONE WITH MIGRATION ================ 2516.16 LDB: ============= START OF LOAD BALANCING ============== 2516.48 LDB: Largest compute 7026 load 0.030035 is 15.4% of average load 0.195313 LDB: Average compute 0.004403 is 2.3% of average load 0.195313 LDB: TIME 2516.48 LOAD: AVG 0.195313 MAX 0.212717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.148 MB LDB: TIME 2516.48 LOAD: AVG 0.195313 MAX 0.212717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.152 MB LDB: TIME 2516.48 LOAD: AVG 0.195313 MAX 0.212717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.152 MB LDB: ============== END OF LOAD BALANCING =============== 2516.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2516.49 PRESSURE: 792400 -107.633 -9.56006 115.677 -9.55979 57.6923 -97.0754 115.677 -97.0743 34.2681 GPRESSURE: 792400 -54.1379 -47.8266 114.526 -6.76046 136.31 -119.765 89.7191 -154.552 -8.59741 PRESSAVG: 792400 42.3851 3.13428 35.6016 3.13428 -8.0348 -3.77863 35.6016 -3.77854 0.345149 GPRESSAVG: 792400 42.7871 2.58905 37.2323 4.8139 -8.8655 -2.99673 35.4111 -2.12349 1.05625 TIMING: 792400 CPU: 2504.27, 0.00322865/step Wall: 2504.27, 0.00322865/step, 3.77357 hours remaining, 234.519531 MB of memory in use. ENERGY: 792400 3911.7546 20460.0382 14438.6779 271.4311 -203278.6574 2336.2886 0.0000 0.0000 51989.8722 -109870.5948 298.7865 -161860.4670 -109498.1616 297.9087 -5.2241 24.5250 762473.1819 11.5652 11.6593 PRESSURE: 792600 89.1415 -21.0183 -122.582 -21.0178 -109.481 112.722 -122.582 112.722 -508.538 GPRESSURE: 792600 73.8106 -11.6706 -80.311 -149.094 -51.6474 135.573 -225.519 4.1153 -454.623 PRESSAVG: 792600 7.52474 2.72646 -19.9015 2.72644 -16.1 -12.0328 -19.9015 -12.0327 -7.87632 GPRESSAVG: 792600 7.83028 3.86043 -18.7981 2.31295 -15.8579 -10.5517 -20.4619 -15.9231 -9.26752 TIMING: 792600 CPU: 2504.9, 0.00315537/step Wall: 2504.9, 0.00315537/step, 3.68775 hours remaining, 234.722656 MB of memory in use. ENERGY: 792600 4008.6381 20383.5320 14413.9367 255.3017 -203544.5408 2685.2417 0.0000 0.0000 51888.4976 -109909.3930 298.2039 -161797.8906 -109548.8829 297.9526 -176.2924 -144.1531 761702.7069 -5.4839 -5.7651 PRESSURE: 792800 -192.479 15.2019 -5.14495 15.2014 -181.082 -29.883 -5.14469 -29.8823 -455.275 GPRESSURE: 792800 -138.49 -58.5124 -14.4126 169.258 -141.011 106.257 -100.823 -117.939 -463.273 PRESSAVG: 792800 37.2285 -29.3014 -6.02168 -29.3014 -9.17176 39.0324 -6.02167 39.0323 -9.3579 GPRESSAVG: 792800 36.972 -30.2997 -8.13638 -29.6849 -9.31616 39.7077 -6.95343 42.0612 -9.01554 TIMING: 792800 CPU: 2505.53, 0.00315331/step Wall: 2505.53, 0.00315331/step, 3.68517 hours remaining, 234.925781 MB of memory in use. ENERGY: 792800 4023.0697 20424.2334 14374.4435 229.2094 -203335.0833 2543.9280 0.0000 0.0000 51908.6729 -109831.5264 298.3199 -161740.1993 -109457.0654 297.8878 -276.2784 -247.5913 761256.7418 6.2330 6.2134 PRESSURE: 793000 271.999 -90.59 177.158 -90.5901 101.679 163.549 177.158 163.548 68.4982 GPRESSURE: 793000 224.506 -186.205 193.289 -119.081 301.252 149.678 219.289 25.1114 9.44512 PRESSAVG: 793000 5.20428 -59.3183 45.3862 -59.3184 -22.2748 -41.3895 45.3861 -41.3895 -13.9453 GPRESSAVG: 793000 4.76512 -57.8832 43.4433 -60.0387 -21.2399 -44.0855 46.812 -41.3677 -13.9935 TIMING: 793000 CPU: 2506.16, 0.0031547/step Wall: 2506.16, 0.0031547/step, 3.68662 hours remaining, 234.925781 MB of memory in use. ENERGY: 793000 4050.6911 20489.8935 14445.7627 248.2009 -203398.3506 2678.9329 0.0000 0.0000 51733.7718 -109751.0977 297.3147 -161484.8695 -109403.5743 298.1873 147.3923 178.4014 762740.2344 -10.3386 -10.1561 PRESSURE: 793200 50.6044 7.03525 171.526 7.0346 311.795 16.0913 171.526 16.0914 194.369 GPRESSURE: 793200 79.9558 164.903 81.867 -49.8728 346.972 -2.31547 206.935 70.271 200.229 PRESSAVG: 793200 -34.1367 -29.6847 21.0497 -29.6847 67.0867 -31.3041 21.0496 -31.3041 6.4752 GPRESSAVG: 793200 -34.3727 -31.1231 23.798 -27.6792 65.2878 -30.2687 21.0128 -31.6273 7.83171 TIMING: 793200 CPU: 2506.8, 0.00316362/step Wall: 2506.8, 0.00316362/step, 3.69686 hours remaining, 234.925781 MB of memory in use. ENERGY: 793200 4016.1802 20680.2563 14401.4353 237.8856 -203916.2959 2957.8761 0.0000 0.0000 51896.8341 -109725.8282 298.2518 -161622.6624 -109365.8658 298.5523 185.5896 209.0524 762768.1482 13.1417 12.9156 PRESSURE: 793400 -107.94 24.7525 -168.6 24.7527 -85.7799 -163.204 -168.599 -163.204 143.839 GPRESSURE: 793400 -121.354 11.9999 -136.723 26.3934 -30.3281 -269.167 -172.075 -63.0966 174.691 PRESSAVG: 793400 -13.7286 10.5383 12.218 10.5382 44.536 -11.3074 12.218 -11.3074 -5.37253 GPRESSAVG: 793400 -14.4545 10.6083 11.4272 7.73298 45.7429 -10.6942 12.1346 -12.3164 -5.43631 TIMING: 793400 CPU: 2507.43, 0.00315852/step Wall: 2507.43, 0.00315852/step, 3.69073 hours remaining, 234.980469 MB of memory in use. ENERGY: 793400 4012.1569 20667.5039 14407.4329 250.1903 -203319.6969 2602.9133 0.0000 0.0000 51893.2206 -109486.2790 298.2311 -161379.4995 -109131.2824 298.7249 -16.6271 7.6695 761664.9599 8.4783 8.6174 PRESSURE: 793600 -128.063 151.134 12.3495 151.134 -125.225 -177.532 12.3485 -177.532 35.1118 GPRESSURE: 793600 -99.367 30.2657 22.2102 99.3413 -125.426 -133.769 85.7845 -88.5763 89.9727 PRESSAVG: 793600 -16.4065 -6.27618 40.8283 -6.27615 -4.0696 -65.1548 40.8282 -65.1549 -2.84597 GPRESSAVG: 793600 -16.444 -6.99177 41.4264 -4.84197 -3.9229 -66.1103 42.1955 -65.1861 -4.02822 TIMING: 793600 CPU: 2508.06, 0.00316792/step Wall: 2508.06, 0.00316792/step, 3.70154 hours remaining, 234.980469 MB of memory in use. ENERGY: 793600 3950.1316 20577.7502 14405.1632 235.5134 -203173.2116 2770.6643 0.0000 0.0000 51885.9133 -109348.0757 298.1891 -161233.9890 -108995.9293 298.8883 -72.7255 -44.9401 762670.2971 -7.7740 -8.1317 PRESSURE: 793800 62.2773 -69.7261 161.385 -69.7267 122.039 72.7853 161.385 72.7854 23.1831 GPRESSURE: 793800 109.923 93.6284 237.604 -96.14 111.397 125.468 -20.7684 136.492 61.3488 PRESSAVG: 793800 -51.6351 11.5742 -22.112 11.5741 10.1952 -37.3959 -22.112 -37.396 0.867301 GPRESSAVG: 793800 -51.8846 12.1335 -22.1353 11.8398 9.29239 -38.4934 -25.2457 -36.2365 1.8247 TIMING: 793800 CPU: 2508.7, 0.00318402/step Wall: 2508.7, 0.00318402/step, 3.72017 hours remaining, 234.980469 MB of memory in use. ENERGY: 793800 3980.4064 20554.2641 14398.2685 242.8648 -203409.6890 2656.2459 0.0000 0.0000 52165.3941 -109412.2451 299.7952 -161577.6393 -109046.3546 298.7187 69.1666 94.2228 761564.8415 -13.5242 -13.5892 PRESSURE: 794000 -274.081 1.75399 -118.643 1.75379 -229.754 132.999 -118.643 132.999 109.181 GPRESSURE: 794000 -191.128 -19.9859 -121.417 79.3199 -224.881 139.968 -29.6092 29.2158 94.1378 PRESSAVG: 794000 4.49293 -17.4457 8.22374 -17.4457 33.2541 -20.3705 8.22374 -20.3705 24.1941 GPRESSAVG: 794000 5.37248 -17.9149 7.15343 -17.8083 33.1036 -18.7244 11.4192 -21.5326 23.7069 TIMING: 794000 CPU: 2509.33, 0.00316241/step Wall: 2509.33, 0.00316241/step, 3.69475 hours remaining, 234.980469 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: 794000 3911.3019 20523.7895 14414.2354 233.5944 -203208.0648 2478.5646 0.0000 0.0000 52217.0329 -109429.5460 300.0920 -161646.5789 -109062.4421 299.4739 -131.5515 -107.2905 762324.5068 20.6470 20.7277 PRESSURE: 794200 -378.315 -28.3176 65.7607 -28.3191 -312.084 161.938 65.7613 161.938 -61.2434 GPRESSURE: 794200 -420.251 -25.4194 -13.4554 -33.9888 -233.328 79.0818 -16.9202 153.86 -21.4743 PRESSAVG: 794200 -7.59061 6.86988 -4.18411 6.86988 40.864 -1.84024 -4.18406 -1.8401 -5.04123 GPRESSAVG: 794200 -8.48806 7.26357 -2.68435 6.39994 41.7135 -2.63656 -5.69758 -1.35744 -5.50592 TIMING: 794200 CPU: 2509.96, 0.00315237/step Wall: 2509.96, 0.00315237/step, 3.68284 hours remaining, 234.980469 MB of memory in use. ENERGY: 794200 3967.8325 20518.1524 14504.2557 257.4270 -203045.1418 2373.1308 0.0000 0.0000 52102.2698 -109322.0736 299.4325 -161424.3433 -108966.6490 299.0616 -250.5475 -225.0177 763758.7718 9.4107 9.2398 PRESSURE: 794400 -70.7231 193.06 21.9353 193.06 -91.0706 110.378 21.9345 110.379 -162.143 GPRESSURE: 794400 -20.4607 316.914 -40.479 213.559 -49.4862 77.1035 141.945 113.743 -164.404 PRESSAVG: 794400 28.9896 22.6191 68.2979 22.6192 0.348837 10.6146 68.2979 10.6146 11.9956 GPRESSAVG: 794400 29.4006 24.1886 68.8337 21.215 -1.08711 11.2988 71.5652 11.4028 12.993 TIMING: 794400 CPU: 2510.59, 0.00316256/step Wall: 2510.59, 0.00316256/step, 3.69457 hours remaining, 234.980469 MB of memory in use. ENERGY: 794400 3948.0876 20487.3078 14467.6387 247.9201 -202834.5786 2262.6038 0.0000 0.0000 52167.7892 -109253.2315 299.8090 -161421.0207 -108892.6801 299.3067 -107.9790 -78.1170 762383.6415 13.7780 13.7689 PRESSURE: 794600 -282.609 -262.577 -44.0091 -262.577 86.9297 -138.197 -44.0079 -138.196 -26.9299 GPRESSURE: 794600 -276.376 -209.485 -117.164 -282.46 52.2966 -168.762 -78.8576 -139.827 92.5456 PRESSAVG: 794600 -23.2234 -30.0736 15.2053 -30.0736 9.04579 -32.9926 15.2053 -32.9927 -4.81497 GPRESSAVG: 794600 -22.5037 -31.418 14.8519 -28.1321 9.37236 -33.7659 11.8997 -36.1841 -5.81483 TIMING: 794600 CPU: 2511.23, 0.0031635/step Wall: 2511.23, 0.0031635/step, 3.69549 hours remaining, 234.980469 MB of memory in use. ENERGY: 794600 3991.9588 20532.4207 14494.6707 248.1892 -203087.0716 2362.8270 0.0000 0.0000 52167.6935 -109289.3116 299.8085 -161457.0051 -108926.3360 299.1620 -74.2029 -43.8446 761267.9074 -6.3309 -6.3154 PRESSURE: 794800 199.407 -61.5374 225.171 -61.5378 27.0829 169.527 225.172 169.527 14.8374 GPRESSURE: 794800 218.465 -48.1649 189.789 -41.3572 55.8114 231.953 312.177 75.0619 46.1489 PRESSAVG: 794800 25.9283 13.2437 -21.036 13.2437 -31.5977 5.33253 -21.036 5.33262 5.84373 GPRESSAVG: 794800 25.5679 11.8206 -22.4785 13.0306 -30.6296 5.97659 -18.4624 8.25974 4.99462 TIMING: 794800 CPU: 2511.86, 0.0031657/step Wall: 2511.86, 0.0031657/step, 3.69789 hours remaining, 234.980469 MB of memory in use. ENERGY: 794800 3956.8118 20686.7240 14431.6290 266.4110 -203412.6396 2677.4282 0.0000 0.0000 52232.1018 -109161.5338 300.1786 -161393.6356 -108802.0264 299.6456 80.4424 106.8083 761440.0686 0.0581 -0.0224 PRESSURE: 795000 17.4882 -95.6127 202.942 -95.6135 198.176 61.5017 202.942 61.502 -225.053 GPRESSURE: 795000 140.298 -117.352 239.319 -23.6338 144.988 -8.87762 27.8719 86.9505 -201.449 PRESSAVG: 795000 -6.20991 -14.2836 15.0455 -14.2837 31.7801 69.2141 15.0455 69.2141 4.50933 GPRESSAVG: 795000 -4.83511 -14.1723 16.8538 -13.8491 30.97 69.5467 12.685 68.7659 4.07573 TIMING: 795000 CPU: 2512.49, 0.00316011/step Wall: 2512.49, 0.00316011/step, 3.69118 hours remaining, 234.980469 MB of memory in use. ENERGY: 795000 4016.3259 20500.6827 14475.2686 232.6146 -203206.6143 2660.3040 0.0000 0.0000 51945.1139 -109376.3045 298.5293 -161321.4184 -109016.1690 299.1266 -3.1296 27.9459 761730.8097 10.0265 10.0702 PRESSURE: 795200 57.4827 54.6341 -271.55 54.6333 62.5947 -11.7421 -271.551 -11.7416 234.752 GPRESSURE: 795200 63.8189 130.418 -128.024 -55.7964 123.381 -33.5481 -293.561 98.3482 254.711 PRESSAVG: 795200 -2.98011 -25.2263 21.0165 -25.2263 1.82139 49.6214 21.0166 49.6214 -10.5942 GPRESSAVG: 795200 -3.28152 -24.9126 20.4481 -26.9475 0.449926 48.5875 23.8145 50.8783 -8.36948 TIMING: 795200 CPU: 2513.12, 0.00316176/step Wall: 2513.12, 0.00316176/step, 3.69294 hours remaining, 234.980469 MB of memory in use. ENERGY: 795200 3979.3412 20470.2333 14397.3098 228.6796 -202798.6413 2404.5701 0.0000 0.0000 52065.3264 -109253.1809 299.2201 -161318.5073 -108887.2589 299.1794 118.2764 147.3036 762062.2169 -3.9176 -3.7337 PRESSURE: 795400 -37.5968 309.478 195.127 309.478 243.373 120.37 195.127 120.371 119.453 GPRESSURE: 795400 46.7826 229.86 157.883 322.131 254.08 232.991 13.0526 58.852 97.2012 PRESSAVG: 795400 8.47335 24.4686 62.404 24.4687 28.2748 54.8166 62.404 54.8167 0.0127456 GPRESSAVG: 795400 8.39973 24.7832 62.388 24.1231 29.9404 57.5036 62.1519 52.0599 -1.78835 TIMING: 795400 CPU: 2513.76, 0.00316595/step Wall: 2513.76, 0.00316595/step, 3.69765 hours remaining, 234.980469 MB of memory in use. ENERGY: 795400 3937.0441 20570.8742 14368.5839 247.5178 -203250.6783 2849.1840 0.0000 0.0000 52016.7821 -109260.6923 298.9412 -161277.4744 -108907.2920 299.3851 108.4098 132.6879 762673.0164 12.2536 12.1839 PRESSURE: 795600 -173.578 45.6534 50.9975 45.6537 -258.833 400.128 50.9983 400.127 -137.483 GPRESSURE: 795600 -127.445 118.712 95.0308 -46.2001 -289.654 408.707 129.727 322.523 -104.427 PRESSAVG: 795600 7.04691 40.4346 54.4772 40.4347 -28.0967 78.5047 54.4772 78.5047 17.4228 GPRESSAVG: 795600 6.61048 40.9058 53.4967 41.7437 -29.2022 77.9323 54.2419 77.0998 19.053 TIMING: 795600 CPU: 2514.39, 0.00315896/step Wall: 2514.39, 0.00315896/step, 3.68932 hours remaining, 234.980469 MB of memory in use. ENERGY: 795600 3973.9218 20610.9931 14392.3636 252.9825 -203062.8463 2475.9127 0.0000 0.0000 52200.1724 -109156.5003 299.9951 -161356.6726 -108792.8579 299.1923 -189.9647 -173.8422 763435.5798 -1.2090 -1.1796 PRESSURE: 795800 -176.757 93.8633 226.04 93.8636 -146.937 25.9739 226.039 25.9737 180.383 GPRESSURE: 795800 -12.1275 -18.9882 172.045 43.4581 -179.439 50.2384 108.193 41.9147 164.18 PRESSAVG: 795800 -52.5492 -7.22179 -7.046 -7.22177 -5.99014 64.7186 -7.04603 64.7187 16.2587 GPRESSAVG: 795800 -51.561 -6.68506 -5.87482 -6.48145 -5.90832 63.9952 -6.36478 66.9789 15.2051 TIMING: 795800 CPU: 2515.02, 0.00316961/step Wall: 2515.02, 0.00316961/step, 3.70158 hours remaining, 234.980469 MB of memory in use. ENERGY: 795800 3992.4435 20384.3908 14456.1351 244.4676 -203474.9967 2621.4906 0.0000 0.0000 52306.1286 -109469.9404 300.6040 -161776.0691 -109104.4844 299.4623 -47.7705 -9.1289 760504.4980 -14.0936 -14.0881 PRESSURE: 796000 -42.6052 -3.69559 102.126 -3.69497 -98.7433 -15.3587 102.125 -15.3595 -87.0838 GPRESSURE: 796000 -33.0887 -62.148 189.347 50.4726 -20.3161 -4.94288 98.8555 16.9627 -96.4464 PRESSAVG: 796000 14.4701 10.676 10.3318 10.676 48.5483 -10.6459 10.3318 -10.6459 -4.34016 GPRESSAVG: 796000 13.6383 9.09935 10.5196 8.09066 49.3685 -12.5534 8.70206 -10.6564 -3.19688 TIMING: 796000 CPU: 2515.66, 0.00316871/step Wall: 2515.66, 0.00316871/step, 3.70035 hours remaining, 234.980469 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: 796000 3970.7300 20486.9799 14430.9236 238.9193 -203255.0022 2563.8811 0.0000 0.0000 52119.5286 -109444.0397 299.5316 -161563.5683 -109088.3003 299.0971 -76.1441 -49.9504 761910.5259 19.5594 19.9366 PRESSURE: 796200 63.9348 -50.5675 229.661 -50.5666 -314.6 134.298 229.662 134.297 263.116 GPRESSURE: 796200 80.2223 28.9042 222.077 -125.003 -249.994 118.604 208.147 173.095 266.897 PRESSAVG: 796200 39.0833 -9.11052 -24.2457 -9.11056 21.5838 -13.1096 -24.2458 -13.1097 0.978138 GPRESSAVG: 796200 39.0424 -7.82015 -25.0135 -7.76867 22.2874 -10.1408 -24.1568 -13.2559 0.613783 TIMING: 796200 CPU: 2516.29, 0.00315041/step Wall: 2516.29, 0.00315041/step, 3.6788 hours remaining, 235.195312 MB of memory in use. ENERGY: 796200 3967.7174 20464.0025 14397.3093 227.6289 -203271.3621 2600.0017 0.0000 0.0000 52081.1202 -109533.5820 299.3109 -161614.7022 -109162.7882 299.0653 4.1503 32.3749 761932.6957 20.5484 20.6479 LDB: ============= START OF LOAD BALANCING ============== 2528.82 LDB: ============== END OF LOAD BALANCING =============== 2528.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2528.82 LDB: ============= START OF LOAD BALANCING ============== 2529.14 LDB: Largest compute 7026 load 0.030910 is 15.8% of average load 0.195253 LDB: Average compute 0.004404 is 2.3% of average load 0.195253 LDB: TIME 2529.14 LOAD: AVG 0.195253 MAX 0.216128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.125 MB LDB: TIME 2529.14 LOAD: AVG 0.195253 MAX 0.216128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.125 MB LDB: TIME 2529.14 LOAD: AVG 0.195253 MAX 0.216128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.125 MB LDB: ============== END OF LOAD BALANCING =============== 2529.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2529.15 PRESSURE: 796400 -531.418 -14.0127 5.3866 -14.0115 -166.425 -265.191 5.38682 -265.191 -507.63 GPRESSURE: 796400 -437.952 -30.6105 15.2424 34.879 -193.567 -246.983 -4.40931 -186.959 -492.706 PRESSAVG: 796400 -28.0629 -13.5472 51.066 -13.5472 29.7144 23.8379 51.066 23.8379 -12.1256 GPRESSAVG: 796400 -27.0422 -11.6213 50.2254 -16.1885 29.3845 20.793 51.7292 25.0953 -12.3223 TIMING: 796400 CPU: 2516.93, 0.00321921/step Wall: 2516.93, 0.00321921/step, 3.75896 hours remaining, 233.125000 MB of memory in use. ENERGY: 796400 4100.4435 20593.1328 14418.0892 234.4552 -203244.2366 2394.8610 0.0000 0.0000 51835.7511 -109667.5038 297.9008 -161503.2549 -109317.6656 298.8679 -401.8245 -374.7415 760387.7445 -3.4913 -3.3267 PRESSURE: 796600 88.0828 70.0998 -119.045 70.0995 111.276 -18.72 -119.044 -18.7197 166.917 GPRESSURE: 796600 223.979 51.8883 -72.4794 161.754 164.853 -12.7213 -153.786 -66.983 58.1428 PRESSAVG: 796600 14.7672 33.2094 23.1458 33.2093 6.91301 35.7541 23.1458 35.7541 13.278 GPRESSAVG: 796600 14.6861 31.5028 25.1573 36.524 6.93151 37.8075 23.3809 35.3015 13.3565 TIMING: 796600 CPU: 2517.57, 0.00317841/step Wall: 2517.57, 0.00317841/step, 3.71115 hours remaining, 233.386719 MB of memory in use. ENERGY: 796600 4004.0330 20507.9757 14441.1583 245.4719 -203519.9491 2730.1882 0.0000 0.0000 52036.1179 -109555.0040 299.0523 -161591.1219 -109188.9099 298.9415 122.0919 148.9918 761227.1104 11.6527 11.6581 PRESSURE: 796800 -66.3189 -2.21832 -215.499 -2.21853 -170.91 283.631 -215.499 283.63 -0.107373 GPRESSURE: 796800 -73.9122 -57.9403 -134.988 13.6309 -160.15 248.87 -219.098 84.8623 76.0199 PRESSAVG: 796800 6.23596 -15.6638 -22.6198 -15.6639 -30.7749 -16.9175 -22.6198 -16.9174 -9.38175 GPRESSAVG: 796800 4.99891 -14.9956 -23.5132 -15.3766 -30.2412 -17.2529 -21.8924 -19.8629 -8.22365 TIMING: 796800 CPU: 2518.2, 0.00316079/step Wall: 2518.2, 0.00316079/step, 3.6904 hours remaining, 233.386719 MB of memory in use. ENERGY: 796800 4020.7140 20441.0300 14404.7609 240.8535 -203020.4794 2432.1334 0.0000 0.0000 51940.7129 -109540.2745 298.5040 -161480.9875 -109171.7233 299.1805 -79.1121 -52.6808 761545.6624 -11.3069 -11.1553 PRESSURE: 797000 -76.6645 195.18 -38.4503 195.18 -166.459 34.7073 -38.45 34.7068 174.791 GPRESSURE: 797000 -70.4917 222.205 -90.7018 144.986 -77.0957 116.189 -111.706 151.638 157.418 PRESSAVG: 797000 16.8103 33.4881 -59.3017 33.488 -6.47922 27.4469 -59.3017 27.4469 14.3811 GPRESSAVG: 797000 17.9972 33.1557 -59.4604 32.748 -6.41438 27.9065 -60.0979 31.0483 13.2641 TIMING: 797000 CPU: 2518.83, 0.00315995/step Wall: 2518.83, 0.00315995/step, 3.68924 hours remaining, 233.453125 MB of memory in use. ENERGY: 797000 3941.1668 20440.0631 14391.0297 261.0536 -203523.5243 2785.5951 0.0000 0.0000 52053.2214 -109651.3946 299.1506 -161704.6160 -109288.7190 298.5268 -22.7773 3.2768 761903.5930 8.2374 8.2823 PRESSURE: 797200 237.084 -159.72 102.143 -159.72 138.918 333.893 102.143 333.892 136.898 GPRESSURE: 797200 223.658 -210.632 124.26 -180.131 195.115 234.62 158.617 163.245 189.491 PRESSAVG: 797200 28.571 4.81431 -33.9237 4.81434 -16.0389 -3.74372 -33.9237 -3.74372 0.848299 GPRESSAVG: 797200 28.2837 3.67031 -32.0323 6.91878 -15.2527 -6.10485 -33.5778 -4.66588 0.241382 TIMING: 797200 CPU: 2519.46, 0.00316355/step Wall: 2519.46, 0.00316355/step, 3.69327 hours remaining, 233.453125 MB of memory in use. ENERGY: 797200 3980.6631 20389.5199 14302.7981 243.9319 -203381.9058 2745.1112 0.0000 0.0000 51986.9998 -109732.8817 298.7700 -161719.8815 -109373.6105 298.5094 170.9669 202.7545 764130.6528 4.4601 4.4241 PRESSURE: 797400 -160.444 -118.108 184.221 -118.108 -8.21018 18.7422 184.221 18.7427 14.9201 GPRESSURE: 797400 -42.8321 53.8516 105.806 -229.998 -28.7782 -1.79151 105.094 9.28402 17.6658 PRESSAVG: 797400 -24.3467 4.72293 75.409 4.72284 13.8512 3.65507 75.409 3.65505 4.3647 GPRESSAVG: 797400 -25.0326 3.91703 75.8019 1.57733 13.8738 3.9035 75.4731 2.49213 4.95796 TIMING: 797400 CPU: 2520.1, 0.00319474/step Wall: 2520.1, 0.00319474/step, 3.72951 hours remaining, 233.453125 MB of memory in use. ENERGY: 797400 3938.6593 20413.1756 14398.6860 233.8138 -203480.2229 2648.2873 0.0000 0.0000 51783.4616 -110064.1393 297.6003 -161847.6009 -109707.3680 297.7661 -51.2446 -17.9815 763631.2562 -2.0436 -2.0669 PRESSURE: 797600 -2.32657 -25.4111 -201.267 -25.4113 -105.909 -13.123 -201.267 -13.124 151.705 GPRESSURE: 797600 48.4502 -121.345 -163.016 47.829 -105.37 -30.2329 -126.435 -96.754 169.61 PRESSAVG: 797600 22.6195 -2.26304 7.81259 -2.26312 20.4354 20.3034 7.81261 20.3034 -12.947 GPRESSAVG: 797600 23.7433 -2.18597 5.65189 0.673963 19.3059 20.9801 8.63693 20.4991 -12.6537 TIMING: 797600 CPU: 2520.74, 0.00318853/step Wall: 2520.74, 0.00318853/step, 3.72208 hours remaining, 233.453125 MB of memory in use. ENERGY: 797600 3947.5197 20258.1845 14423.7415 245.4453 -203529.4727 2817.6179 0.0000 0.0000 51907.1613 -109929.8024 298.3112 -161836.9637 -109571.9831 297.3339 14.4896 37.5637 762583.5020 10.0360 10.1318 PRESSURE: 797800 186.367 278.419 112.619 278.418 -373.158 -119.561 112.62 -119.561 -92.8424 GPRESSURE: 797800 192.72 195.065 -2.19222 362.579 -274.662 -227.613 205.976 -60.6546 -128.722 PRESSAVG: 797800 -4.29304 17.2421 30.8151 17.2421 2.25257 59.0843 30.8151 59.0843 14.7476 GPRESSAVG: 797800 -4.17836 19.2825 30.0498 14.9323 2.62917 59.6069 31.7612 59.1276 14.2093 TIMING: 797800 CPU: 2521.37, 0.00316393/step Wall: 2521.37, 0.00316393/step, 3.69318 hours remaining, 233.453125 MB of memory in use. ENERGY: 797800 3973.3434 20351.4403 14417.8132 243.3677 -203073.7774 2512.8235 0.0000 0.0000 51583.3792 -109991.6101 296.4504 -161574.9893 -109626.4243 297.5112 -93.2111 -70.2211 761187.4402 4.2357 4.2201 PRESSURE: 798000 -187.203 -230.436 12.7091 -230.436 -404.988 -37.2596 12.7073 -37.2594 -433.911 GPRESSURE: 798000 -194.685 -164.708 68.3524 -71.8445 -322.207 -89.4557 -22.9429 -49.0453 -441.79 PRESSAVG: 798000 46.9886 30.8093 23.0964 30.8093 -40.1482 29.2477 23.0963 29.2478 -18.2353 GPRESSAVG: 798000 46.8101 30.115 23.7546 31.4951 -39.9507 28.88 22.9633 29.9651 -17.7443 TIMING: 798000 CPU: 2522, 0.00315566/step Wall: 2522, 0.00315566/step, 3.68336 hours remaining, 233.453125 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: 798000 3940.5931 20525.4033 14463.9902 231.0531 -202976.2121 2190.5177 0.0000 0.0000 51891.6299 -109733.0248 298.2219 -161624.6548 -109368.0206 297.5595 -342.0340 -319.5608 763005.7243 -3.7983 -3.6283 PRESSURE: 798200 6.07903 -55.7363 139.977 -55.7364 -159.227 115.85 139.977 115.85 59.2476 GPRESSURE: 798200 47.1093 0.625859 113.071 -58.4018 -126.586 157.022 3.19882 2.31726 46.4258 PRESSAVG: 798200 13.3654 -14.6899 11.0867 -14.6899 -13.9177 52.0796 11.0866 52.0794 12.6122 GPRESSAVG: 798200 12.9836 -14.1335 10.4105 -15.2584 -13.1964 51.1447 9.62087 51.288 12.7912 TIMING: 798200 CPU: 2522.64, 0.00318756/step Wall: 2522.64, 0.00318756/step, 3.72041 hours remaining, 233.453125 MB of memory in use. ENERGY: 798200 3958.6022 20559.8842 14451.0028 238.3580 -203233.0210 2540.7314 0.0000 0.0000 51807.4323 -109677.0100 297.7380 -161484.4423 -109318.9574 298.3932 -31.3003 -11.0171 762034.3879 4.0199 4.1928 PRESSURE: 798400 -64.6588 -73.4704 234.66 -73.4701 -236.232 222.71 234.659 222.709 -162.902 GPRESSURE: 798400 30.2706 72.7437 201.404 -138.703 -229.239 265.5 232.648 88.2584 -193.17 PRESSAVG: 798400 10.8243 -15.7107 -12.5388 -15.7106 2.80796 26.6801 -12.5388 26.6801 -4.61497 GPRESSAVG: 798400 11.2781 -17.7936 -11.504 -17.2896 1.80819 28.5392 -13.4901 26.8302 -4.68596 TIMING: 798400 CPU: 2523.28, 0.00318518/step Wall: 2523.28, 0.00318518/step, 3.71746 hours remaining, 233.453125 MB of memory in use. ENERGY: 798400 4031.2632 20602.2905 14414.6784 252.9640 -203600.2411 2651.0808 0.0000 0.0000 52070.1477 -109577.8164 299.2479 -161647.9641 -109229.3512 298.0192 -154.5978 -130.7127 761849.6591 3.0057 2.8001 PRESSURE: 798600 -32.2579 24.6911 -97.5768 24.691 -714.834 -2.7341 -97.5763 -2.73468 176.032 GPRESSURE: 798600 -133.02 16.5701 -121.821 33.3639 -502.265 27.233 -229.597 35.1803 147.818 PRESSAVG: 798600 0.597941 -64.1258 9.3436 -64.1258 -14.6035 -1.34299 9.34362 -1.34291 -3.57771 GPRESSAVG: 798600 1.57857 -62.9521 9.85181 -61.6589 -15.2332 -2.18646 10.9699 -3.58696 -3.71644 TIMING: 798600 CPU: 2523.91, 0.00317024/step Wall: 2523.91, 0.00317024/step, 3.69984 hours remaining, 233.453125 MB of memory in use. ENERGY: 798600 3977.6098 20577.9939 14286.9035 225.3164 -202870.7272 2429.8045 0.0000 0.0000 52019.7159 -109353.3832 298.9580 -161373.0991 -108988.6734 299.0071 -190.3531 -162.4890 763014.5882 -5.8611 -5.7904 PRESSURE: 798800 -48.8173 -181.542 1.1397 -181.543 -246.721 -68.079 1.1395 -68.0787 -176.638 GPRESSURE: 798800 -136.415 -108.056 4.17867 -233.22 -117.471 -153.477 6.17738 -120.371 -144.779 PRESSAVG: 798800 41.1631 -14.7555 6.21361 -14.7555 -1.17747 -36.4888 6.21357 -36.4888 22.132 GPRESSAVG: 798800 40.0433 -14.8013 4.98989 -14.9989 -0.0923334 -37.8658 5.00841 -35.4976 22.4265 TIMING: 798800 CPU: 2524.54, 0.00314925/step Wall: 2524.54, 0.00314925/step, 3.67517 hours remaining, 233.453125 MB of memory in use. ENERGY: 798800 3965.3871 20541.9574 14406.6691 263.0750 -203416.1258 2766.1843 0.0000 0.0000 52015.2632 -109457.5897 298.9324 -161472.8529 -109097.5485 299.3839 -157.3921 -132.8886 763901.9683 20.7059 20.7925 PRESSURE: 799000 8.26649 -141.966 -103.798 -141.966 -53.7614 -158.757 -103.798 -158.757 -340.058 GPRESSURE: 799000 11.1256 -26.1012 -209.093 -121.975 -43.7445 -203.617 -84.751 -138.83 -289.119 PRESSAVG: 799000 10.0128 37.93 -30.6806 37.9299 20.5761 78.6923 -30.6806 78.6923 11.3273 GPRESSAVG: 799000 9.88723 39.7655 -29.1793 38.2742 20.3864 81.0819 -29.7712 79.2215 11.8105 TIMING: 799000 CPU: 2525.17, 0.00315768/step Wall: 2525.17, 0.00315768/step, 3.68484 hours remaining, 233.453125 MB of memory in use. ENERGY: 799000 4036.3974 20570.5701 14372.2855 227.8318 -203196.2051 2637.4643 0.0000 0.0000 51863.9402 -109487.7158 298.0628 -161351.6560 -109127.3701 299.0543 -128.5176 -107.2460 763749.5944 13.9721 14.0280 PRESSURE: 799200 106.107 80.213 -85.9876 80.2135 216.051 -94.3439 -85.9876 -94.3435 -550.273 GPRESSURE: 799200 105.562 137.475 -150.65 216.657 197.734 -62.9919 47.6851 14.692 -479.156 PRESSAVG: 799200 18.0797 27.1505 -41.936 27.1505 -10.1683 14.418 -41.9359 14.4179 -12.3529 GPRESSAVG: 799200 17.2696 25.7229 -43.4268 26.8736 -9.80086 12.6097 -41.7695 16.4326 -12.6927 TIMING: 799200 CPU: 2525.81, 0.00316748/step Wall: 2525.81, 0.00316748/step, 3.6961 hours remaining, 233.453125 MB of memory in use. ENERGY: 799200 3960.4810 20591.6572 14406.1685 251.1931 -203324.5407 2599.8231 0.0000 0.0000 51912.4909 -109602.7269 298.3418 -161515.2178 -109228.6242 299.2343 -76.0382 -58.6203 762479.4735 -1.4805 -1.7413 PRESSURE: 799400 -106.63 261.46 12.7521 261.46 -272.993 -81.9254 12.7506 -81.9247 -135.666 GPRESSURE: 799400 -68.5266 322.069 29.7374 178.027 -210.284 -42.8499 1.19261 -17.5304 -136.484 PRESSAVG: 799400 0.400262 38.1942 22.7419 38.1942 40.9931 80.8694 22.7419 80.8694 -18.5556 GPRESSAVG: 799400 0.386681 37.5598 24.0374 36.8811 40.4314 80.6829 21.5009 81.1065 -18.2969 TIMING: 799400 CPU: 2526.44, 0.0031818/step Wall: 2526.44, 0.0031818/step, 3.71263 hours remaining, 233.453125 MB of memory in use. ENERGY: 799400 3956.3851 20581.1907 14368.7616 261.6879 -203175.4053 2509.3448 0.0000 0.0000 52045.9580 -109452.0773 299.1088 -161498.0353 -109084.3383 299.2891 -171.7631 -138.4314 761469.1734 7.6126 7.5071 PRESSURE: 799600 -115.065 144.511 -192.012 144.511 -45.9556 61.9304 -192.012 61.9299 -113.549 GPRESSURE: 799600 -149.202 204.8 -114.288 191.099 26.708 144.031 -237.979 -40.0793 -44.5624 PRESSAVG: 799600 -24.5273 13.1271 49.2653 13.1272 23.347 32.8445 49.2653 32.8445 16.8073 GPRESSAVG: 799600 -24.7106 11.9834 49.5894 14.8715 23.414 33.3836 50.3342 31.3593 16.306 TIMING: 799600 CPU: 2527.08, 0.00317282/step Wall: 2527.08, 0.00317282/step, 3.70198 hours remaining, 233.453125 MB of memory in use. ENERGY: 799600 4039.7865 20466.7102 14434.0208 260.7485 -203900.9537 2846.0593 0.0000 0.0000 52386.1838 -109467.4448 301.0641 -161853.6285 -109103.5689 299.3142 -91.5230 -55.6855 760086.8670 5.2090 5.0031 PRESSURE: 799800 -270.321 -66.2842 374.022 -66.2844 -16.8103 -60.7695 374.022 -60.7693 6.25152 GPRESSURE: 799800 -138.529 -90.4338 340.652 -32.0487 -54.8181 -43.1369 307.311 -26.4294 11.438 PRESSAVG: 799800 -12.385 -19.8229 32.1043 -19.8229 12.5412 38.546 32.1043 38.5459 13.1334 GPRESSAVG: 799800 -11.919 -18.853 31.4947 -22.2102 12.3261 38.4836 32.4229 40.2556 12.4542 TIMING: 799800 CPU: 2527.71, 0.00313558/step Wall: 2527.71, 0.00313558/step, 3.65835 hours remaining, 233.453125 MB of memory in use. ENERGY: 799800 4006.7669 20500.3343 14428.4340 247.2526 -203526.1455 2670.3427 0.0000 0.0000 52161.2449 -109511.7699 299.7714 -161673.0148 -109144.5917 299.1885 -93.6267 -60.6363 764109.8633 4.4299 4.2871 WRITING COORDINATES TO DCD FILE MD.1.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, 233.453 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800000 79.8438 11.8095 396.011 11.8097 143.224 30.43 396.011 30.43 208.109 GPRESSURE: 800000 125.037 -55.6566 341.327 -8.85435 141.951 -22.779 343.171 58.5604 228.511 PRESSAVG: 800000 -23.1506 -35.5311 33.9316 -35.5311 -11.7056 12.169 33.9315 12.1691 -7.30484 GPRESSAVG: 800000 -23.5569 -36.083 34.4155 -34.7116 -11.5118 11.4599 32.6733 12.7531 -7.0445 TIMING: 800000 CPU: 2528.36, 0.00327753/step Wall: 2528.36, 0.00327753/step, 3.82378 hours remaining, 233.453125 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: 800000 4011.5624 20675.4720 14465.4721 241.0376 -203449.4704 2800.1172 0.0000 0.0000 51811.6640 -109444.1450 297.7623 -161255.8091 -109088.9407 299.2494 143.7256 165.1663 762576.3727 -14.0537 -14.0377 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 PRESSURE: 800200 -1.65962 -83.7373 3.88417 -83.737 261.919 8.78935 3.88462 8.78897 36.6273 GPRESSURE: 800200 46.2806 -34.3725 -73.2865 -98.0396 388.905 31.1988 64.3268 40.0224 -60.5347 PRESSAVG: 800200 -11.4147 -15.4277 48.7607 -15.4276 39.9946 10.7407 48.7607 10.7407 1.41889 GPRESSAVG: 800200 -9.99158 -15.2792 47.4708 -15.5632 38.5996 11.2913 50.8728 7.26944 1.15818 TIMING: 800200 CPU: 2528.99, 0.00317052/step Wall: 2528.99, 0.00317052/step, 3.69876 hours remaining, 233.453125 MB of memory in use. ENERGY: 800200 3967.5201 20394.1694 14420.2546 253.4386 -203647.3878 3011.7387 0.0000 0.0000 51930.0688 -109670.1976 298.4428 -161600.2664 -109288.7166 298.7440 98.9622 124.8836 762486.4387 9.9996 9.9221 LDB: ============= START OF LOAD BALANCING ============== 2541.53 LDB: ============== END OF LOAD BALANCING =============== 2541.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2541.53 LDB: ============= START OF LOAD BALANCING ============== 2541.85 LDB: Largest compute 7070 load 0.030245 is 15.5% of average load 0.195218 LDB: Average compute 0.004389 is 2.2% of average load 0.195218 LDB: TIME 2541.85 LOAD: AVG 0.195218 MAX 0.216347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.379 MB LDB: TIME 2541.85 LOAD: AVG 0.195218 MAX 0.216347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.586 MB LDB: TIME 2541.85 LOAD: AVG 0.195218 MAX 0.216347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.586 MB LDB: ============== END OF LOAD BALANCING =============== 2541.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2541.86 PRESSURE: 800400 -255.587 -67.0389 -18.0373 -67.0387 -260.983 60.3292 -18.0366 60.33 36.4516 GPRESSURE: 800400 -160.051 -95.5864 6.67944 -154.541 -235.149 90.8051 -5.82044 -4.14475 8.61648 PRESSAVG: 800400 6.49776 -26.1626 -2.47436 -26.1626 -32.1873 1.35799 -2.47436 1.35797 -10.5388 GPRESSAVG: 800400 4.06843 -27.5174 -4.89081 -26.7486 -30.5328 0.846977 -4.36454 3.73303 -9.90154 TIMING: 800400 CPU: 2529.64, 0.00324045/step Wall: 2529.64, 0.00324045/step, 3.78017 hours remaining, 234.148438 MB of memory in use. ENERGY: 800400 3973.1889 20475.9917 14413.7232 253.5148 -203854.9535 2962.2620 0.0000 0.0000 52212.1515 -109564.1215 300.0640 -161776.2730 -109191.4909 298.6226 -160.0395 -128.8612 762910.5649 -12.0761 -12.1220 PRESSURE: 800600 -270.473 75.66 176.128 75.6595 153.092 -48.1437 176.128 -48.1443 189.925 GPRESSURE: 800600 -289.496 116.349 145.505 88.9513 185.668 -175.997 74.0096 21.7152 263.132 PRESSAVG: 800600 16.0867 -13.4982 35.1915 -13.4982 -50.655 -26.5132 35.1916 -26.5132 -7.34321 GPRESSAVG: 800600 17.9185 -12.5013 36.9648 -13.6199 -52.1179 -26.4047 35.5065 -25.085 -7.17929 TIMING: 800600 CPU: 2530.28, 0.00316216/step Wall: 2530.28, 0.00316216/step, 3.68866 hours remaining, 234.351562 MB of memory in use. ENERGY: 800600 3956.9982 20512.1595 14369.0438 245.5096 -203436.2715 2851.2079 0.0000 0.0000 52025.7889 -109475.5637 298.9929 -161501.3526 -109111.2073 298.7581 24.1816 53.1014 762792.3235 -13.9705 -13.7929 PRESSURE: 800800 55.6695 22.5157 -10.4352 22.5154 -65.0934 -132.211 -10.4348 -132.211 276.615 GPRESSURE: 800800 78.5463 2.46433 -14.8892 101.94 -42.8206 -135.079 27.8104 -8.77115 302.46 PRESSAVG: 800800 77.9583 5.79842 -0.96974 5.79834 -65.7227 -7.92372 -0.969828 -7.92373 -2.35295 GPRESSAVG: 800800 77.2111 9.03064 0.201299 4.97374 -65.3028 -9.3685 -1.13379 -8.49028 -2.20186 TIMING: 800800 CPU: 2530.91, 0.00316963/step Wall: 2530.91, 0.00316963/step, 3.6972 hours remaining, 234.351562 MB of memory in use. ENERGY: 800800 3982.3456 20713.2270 14522.8661 250.6412 -203841.3589 2841.9931 0.0000 0.0000 52158.2266 -109372.0593 299.7540 -161530.2859 -109013.9493 298.5691 89.0636 112.7287 760970.7200 3.2942 3.2355 PRESSURE: 801000 -287.845 -14.7631 -121.158 -14.7635 -144.115 26.5594 -121.157 26.5599 302.174 GPRESSURE: 801000 -174.053 -50.0497 -158.429 125.07 -168.627 29.7243 -138.971 -8.55278 285.213 PRESSAVG: 801000 -14.1684 30.36 -39.6661 30.36 -7.07843 26.3434 -39.666 26.3435 -18.337 GPRESSAVG: 801000 -14.2125 26.9558 -40.734 30.99 -6.4 27.3464 -41.7759 23.4117 -18.9264 TIMING: 801000 CPU: 2531.54, 0.00316003/step Wall: 2531.54, 0.00316003/step, 3.68582 hours remaining, 234.351562 MB of memory in use. ENERGY: 801000 4016.5224 20443.6519 14486.4070 255.9691 -203305.4634 2689.0128 0.0000 0.0000 52183.9222 -109229.9780 299.9017 -161413.9002 -108860.4013 299.5039 -43.2622 -19.1559 761881.9354 -13.1946 -13.1796 PRESSURE: 801200 4.78644 -21.456 -354.089 -21.4567 -51.2569 -218.405 -354.088 -218.405 145.448 GPRESSURE: 801200 -24.9609 43.7667 -321.505 47.363 17.3165 -262.054 -342.567 -186.954 196.164 PRESSAVG: 801200 11.0241 -22.3655 3.0274 -22.3655 -20.7159 33.9347 3.02726 33.9347 -5.49438 GPRESSAVG: 801200 12.3476 -22.064 5.38884 -23.9723 -21.6387 33.8557 2.95677 33.9432 -4.99009 TIMING: 801200 CPU: 2532.17, 0.00315205/step Wall: 2532.17, 0.00315205/step, 3.67635 hours remaining, 234.351562 MB of memory in use. ENERGY: 801200 3988.6862 20622.1938 14413.4995 255.7778 -203147.7651 2472.2795 0.0000 0.0000 52100.3009 -109295.0273 299.4211 -161395.3282 -108936.8585 299.5142 32.9925 62.8398 762642.2920 -5.0620 -4.7604 PRESSURE: 801400 -7.72334 12.886 -9.96896 12.8859 110.177 -379.927 -9.97005 -379.927 38.9793 GPRESSURE: 801400 6.19541 -50.5995 -14.9883 0.710346 114.871 -429.442 -12.0463 -222.016 111.024 PRESSAVG: 801400 30.0977 -44.6557 -23.0014 -44.6556 -32.733 -2.11928 -23.0015 -2.11932 3.73879 GPRESSAVG: 801400 29.2685 -43.5267 -25.7645 -44.5327 -32.4417 -2.15808 -21.2819 0.572471 4.11496 TIMING: 801400 CPU: 2532.8, 0.00314443/step Wall: 2532.8, 0.00314443/step, 3.66728 hours remaining, 234.351562 MB of memory in use. ENERGY: 801400 4038.0327 20595.9925 14437.7125 245.0570 -203389.1815 2671.5520 0.0000 0.0000 52028.2769 -109372.5578 299.0072 -161400.8347 -109016.5407 299.5823 47.1443 77.3634 762150.0413 0.3679 0.3139 PRESSURE: 801600 -248.937 -102.581 208.798 -102.58 -339.049 9.80578 208.798 9.80498 -87.3969 GPRESSURE: 801600 -299.097 -112.959 184.99 23.7238 -153.636 12.3148 124.155 -64.6893 -151.55 PRESSAVG: 801600 -10.8257 10.0316 9.86577 10.0317 12.7109 -6.81368 9.86579 -6.81378 -5.43872 GPRESSAVG: 801600 -10.0337 9.46157 9.90854 10.465 13.8727 -6.88864 9.90924 -7.81918 -7.40957 TIMING: 801600 CPU: 2533.44, 0.00318778/step Wall: 2533.44, 0.00318778/step, 3.71766 hours remaining, 234.351562 MB of memory in use. ENERGY: 801600 4002.5411 20473.6015 14405.7491 242.3259 -203198.7194 2281.5585 0.0000 0.0000 52246.5141 -109546.4291 300.2614 -161792.9432 -109182.8109 299.1559 -225.1276 -201.4276 761900.6499 -1.1845 -1.1902 PRESSURE: 801800 73.3593 -39.7664 76.8076 -39.7661 -275.55 -167.609 76.8068 -167.609 -192.833 GPRESSURE: 801800 29.2653 37.355 71.3113 -94.9246 -151.158 -72.5626 -19.699 -140.762 -193.678 PRESSAVG: 801800 3.67436 -18.1137 20.7349 -18.1137 4.27909 7.59276 20.7349 7.5928 14.251 GPRESSAVG: 801800 2.87062 -18.768 21.5781 -18.6617 4.36057 7.92935 19.1109 6.67734 15.1097 TIMING: 801800 CPU: 2534.07, 0.00315021/step Wall: 2534.07, 0.00315021/step, 3.67367 hours remaining, 234.351562 MB of memory in use. ENERGY: 801800 3996.7998 20502.1539 14393.1347 243.9043 -203165.5796 2672.4272 0.0000 0.0000 51779.6275 -109577.5324 297.5782 -161357.1598 -109214.8033 298.4976 -131.6748 -105.1900 762521.1129 7.4015 7.4470 PRESSURE: 802000 -34.7401 64.4924 -12.8114 64.4932 -341.097 -67.2142 -12.8122 -67.2147 270.392 GPRESSURE: 802000 66.681 27.4976 0.109774 5.93071 -343.749 -57.4644 6.48769 -126.751 266.395 PRESSAVG: 802000 13.0181 14.4212 -0.586221 14.4211 -25.8978 -4.97275 -0.586275 -4.9727 23.801 GPRESSAVG: 802000 12.531 14.1165 -1.08901 13.9743 -27.1367 -5.27575 0.557087 -3.9566 25.5051 TIMING: 802000 CPU: 2534.7, 0.00315907/step Wall: 2534.7, 0.00315907/step, 3.68383 hours remaining, 234.351562 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: 802000 3974.4569 20585.6827 14432.9229 274.5097 -203243.9881 2725.4655 0.0000 0.0000 51884.3855 -109366.5648 298.1803 -161250.9504 -109012.8843 299.0277 -35.1485 -3.5576 762220.6702 3.6405 3.6331 PRESSURE: 802200 -83.0673 -17.165 -4.78834 -17.1651 -8.8178 -0.537838 -4.78833 -0.537555 -60.5112 GPRESSURE: 802200 -101.773 -46.8544 -30.1736 27.9606 100.662 -54.6779 -37.9347 -66.7847 -73.978 PRESSAVG: 802200 16.6509 15.9489 10.0891 15.9489 -26.6132 16.8377 10.0891 16.8378 39.4312 GPRESSAVG: 802200 18.6409 15.9543 10.3902 17.1911 -27.286 17.186 10.5796 15.6586 37.6897 TIMING: 802200 CPU: 2535.33, 0.00314695/step Wall: 2535.33, 0.00314695/step, 3.66952 hours remaining, 234.351562 MB of memory in use. ENERGY: 802200 4037.0194 20612.5011 14410.8283 223.5424 -203341.9672 2708.7844 0.0000 0.0000 51907.5008 -109441.7908 298.3131 -161349.2917 -109068.9953 298.9390 -50.7988 -25.0297 762987.2922 9.8230 9.6815 PRESSURE: 802400 -29.0812 -274.173 97.3362 -274.173 -8.63788 75.5765 97.3368 75.5762 -230.988 GPRESSURE: 802400 14.8508 -180.925 166.601 -120.568 9.61555 5.65746 -8.5472 138.528 -221.272 PRESSAVG: 802400 27.647 -21.288 -26.8146 -21.288 4.07335 5.60881 -26.8146 5.60886 -19.8304 GPRESSAVG: 802400 26.4821 -21.8115 -26.9259 -20.4947 4.65829 4.90794 -27.5659 6.0817 -19.2092 TIMING: 802400 CPU: 2535.96, 0.00314519/step Wall: 2535.96, 0.00314519/step, 3.6673 hours remaining, 234.351562 MB of memory in use. ENERGY: 802400 4015.1462 20588.3424 14436.7059 257.0846 -203721.3698 3004.2171 0.0000 0.0000 51914.5772 -109505.2965 298.3538 -161419.8737 -109148.1040 298.6378 -89.5692 -65.6017 763557.9836 3.9633 3.9771 PRESSURE: 802600 -15.9702 167.181 -101.848 167.181 -161.582 -109.306 -101.847 -109.305 14.2912 GPRESSURE: 802600 29.1079 1.07913 -67.3333 94.6839 -65.7206 -20.1434 -69.1597 -96.1122 -34.4336 PRESSAVG: 802600 34.9515 -32.0055 13.7859 -32.0055 -54.1566 36.4803 13.786 36.4803 -11.264 GPRESSAVG: 802600 37.1337 -32.3065 12.7724 -32.8571 -54.9658 35.5064 12.9818 36.5977 -12.8352 TIMING: 802600 CPU: 2536.59, 0.00316003/step Wall: 2536.59, 0.00316003/step, 3.68442 hours remaining, 234.351562 MB of memory in use. ENERGY: 802600 4017.0957 20610.3925 14402.8244 259.1548 -203551.1651 2934.1796 0.0000 0.0000 52037.2986 -109290.2195 299.0591 -161327.5182 -108924.6747 299.1807 -54.4202 -23.6821 764263.0647 -10.1563 -10.2224 PRESSURE: 802800 -107.35 -66.1779 184.001 -66.1779 -145.07 172.328 184.002 172.327 7.81717 GPRESSURE: 802800 -147.783 3.76206 210.64 -5.16516 -108.077 198.716 191.888 237.933 106.707 PRESSAVG: 802800 23.7078 -7.34541 44.0509 -7.34547 -51.8318 44.5315 44.051 44.5315 8.078 GPRESSAVG: 802800 22.0667 -5.86178 46.6696 -8.48699 -51.9563 45.6024 45.7558 44.7617 9.95763 TIMING: 802800 CPU: 2537.22, 0.00315073/step Wall: 2537.22, 0.00315073/step, 3.6734 hours remaining, 234.351562 MB of memory in use. ENERGY: 802800 3928.7132 20391.3331 14438.6801 263.1522 -203668.4488 2632.8918 0.0000 0.0000 52569.1424 -109444.5360 302.1156 -162013.6784 -109070.8481 299.5101 -81.5343 -49.7177 763698.9474 -6.6820 -6.6440 PRESSURE: 803000 169.673 -190.139 -74.0996 -190.139 -72.5913 -43.4261 -74.0994 -43.4253 89.7262 GPRESSURE: 803000 290.524 -336.833 -167.976 -241.509 -113.975 -40.8702 0.218213 -26.2296 89.3614 PRESSAVG: 803000 27.2141 -58.9916 17.1335 -58.9916 -4.97343 13.9477 17.1335 13.9477 13.7853 GPRESSAVG: 803000 29.2438 -60.5085 14.9492 -57.9957 -5.87223 14.7431 18.2915 14.2133 12.193 TIMING: 803000 CPU: 2537.85, 0.00314048/step Wall: 2537.85, 0.00314048/step, 3.66128 hours remaining, 234.351562 MB of memory in use. ENERGY: 803000 3990.6010 20616.9597 14408.7466 247.1683 -203855.2319 3170.3384 0.0000 0.0000 51987.7647 -109433.6532 298.7744 -161421.4179 -109066.8562 299.3003 62.2693 88.6368 763902.5226 12.0086 11.8548 PRESSURE: 803200 -353.261 -95.2042 -166.916 -95.205 2.85476 149.009 -166.917 149.008 -239.779 GPRESSURE: 803200 -388.452 -43.6746 -64.2331 109.137 107.816 94.1465 -157.524 136.152 -237.024 PRESSAVG: 803200 29.8037 -25.3686 -22.4222 -25.3686 -94.8689 -18.2048 -22.4221 -18.2048 -28.268 GPRESSAVG: 803200 28.0139 -24.7093 -22.7385 -24.3348 -95.049 -19.504 -23.2587 -17.8571 -26.8184 TIMING: 803200 CPU: 2538.48, 0.00317511/step Wall: 2538.48, 0.00317511/step, 3.70147 hours remaining, 234.351562 MB of memory in use. ENERGY: 803200 4009.5319 20557.8876 14430.5790 246.9302 -203087.6385 2490.4037 0.0000 0.0000 51898.7041 -109453.6020 298.2626 -161352.3061 -109082.5805 298.7673 -196.7283 -172.5535 764945.7841 -31.1111 -31.2845 PRESSURE: 803400 53.7511 82.795 194.54 82.7953 -433.767 9.6092 194.541 9.60878 206.53 GPRESSURE: 803400 133.711 115.395 194.376 15.8689 -425.799 19.2849 93.1741 91.1387 188.234 PRESSAVG: 803400 18.6 18.225 38.7401 18.2251 26.1043 -13.436 38.7401 -13.4359 21.2886 GPRESSAVG: 803400 17.9755 18.9538 39.2899 16.7783 27.0434 -11.6385 36.0459 -13.3156 20.7997 TIMING: 803400 CPU: 2539.12, 0.00317127/step Wall: 2539.12, 0.00317127/step, 3.69682 hours remaining, 234.351562 MB of memory in use. ENERGY: 803400 4053.1751 20658.9211 14454.6327 230.2724 -203560.6679 2849.8719 0.0000 0.0000 51934.4961 -109379.2985 298.4683 -161313.7946 -109014.1031 298.4810 -57.8288 -34.6178 761827.6544 21.9977 21.9395 PRESSURE: 803600 -376.798 -77.2896 -27.7342 -77.2906 -177.984 -198.196 -27.7338 -198.196 250.94 GPRESSURE: 803600 -349.645 -27.4835 -50.1574 -100.485 -145.25 -169.948 -4.29421 -193.513 278.222 PRESSAVG: 803600 -64.6075 -9.51983 67.2455 -9.51986 31.9023 -25.1234 67.2455 -25.1234 -10.4672 GPRESSAVG: 803600 -63.9596 -8.44972 68.7544 -7.7658 32.7762 -26.2511 66.136 -28.3059 -12.1371 TIMING: 803600 CPU: 2539.75, 0.00315134/step Wall: 2539.75, 0.00315134/step, 3.67341 hours remaining, 234.351562 MB of memory in use. ENERGY: 803600 3975.2267 20459.2183 14365.6599 218.5591 -202987.1486 2444.7478 0.0000 0.0000 52159.5318 -109364.2051 299.7615 -161523.7369 -109002.7893 299.1485 -101.2806 -72.2245 763259.9505 -14.3908 -14.4402 PRESSURE: 803800 -161.143 126.601 -43.7369 126.601 334.341 -56.685 -43.7366 -56.685 22.9869 GPRESSURE: 803800 -119.17 18.6585 7.50621 185.431 394.683 -18.2299 -40.7082 -70.0327 4.67722 PRESSAVG: 803800 -53.5374 19.1412 40.0846 19.1412 43.9521 43.721 40.0845 43.7211 -14.6739 GPRESSAVG: 803800 -53.7002 15.9866 38.7094 17.4263 42.7727 44.8236 43.1277 47.1213 -12.8841 TIMING: 803800 CPU: 2540.38, 0.00316179/step Wall: 2540.38, 0.00316179/step, 3.68542 hours remaining, 234.351562 MB of memory in use. ENERGY: 803800 4102.7216 20350.9366 14485.3278 224.7943 -203658.5323 2946.4660 0.0000 0.0000 52107.2850 -109441.0010 299.4613 -161548.2860 -109073.3048 298.8689 65.3947 93.3966 762859.2088 -8.0864 -7.9372 PRESSURE: 804000 -315.707 -52.7647 93.1147 -52.7645 -339.487 109.501 93.1152 109.5 -347.333 GPRESSURE: 804000 -301.68 -91.287 148.015 -16.3364 -270.396 107.08 121.089 29.301 -368.804 PRESSAVG: 804000 40.8594 -17.3658 54.7673 -17.3657 4.02853 -36.6635 54.7673 -36.6635 -3.58687 GPRESSAVG: 804000 40.8355 -17.688 55.5776 -16.7461 5.2331 -38.5457 53.8609 -36.3413 -4.9867 TIMING: 804000 CPU: 2541.01, 0.00314087/step Wall: 2541.01, 0.00314087/step, 3.66086 hours remaining, 234.351562 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: 804000 4039.9404 20634.3347 14416.4363 250.2784 -203213.0809 2549.9036 0.0000 0.0000 52095.8807 -109226.3068 299.3957 -161322.1875 -108868.8788 298.8387 -334.1757 -313.6266 763503.4783 13.7670 13.6940 PRESSURE: 804200 -274.757 105.725 298.235 105.725 -297.462 21.5426 298.235 21.5423 -230.153 GPRESSURE: 804200 -264.127 34.8859 354.332 53.6721 -299.783 26.7715 218.099 59.8927 -175.945 PRESSAVG: 804200 4.43005 29.8481 16.6017 29.8481 29.1792 -21.0801 16.6018 -21.0801 7.56874 GPRESSAVG: 804200 4.10108 31.8997 16.2266 27.7964 29.1155 -19.7314 15.486 -21.2439 8.09995 TIMING: 804200 CPU: 2541.63, 0.00312862/step Wall: 2541.63, 0.00312862/step, 3.6464 hours remaining, 234.351562 MB of memory in use. ENERGY: 804200 3971.4254 20496.0938 14465.5028 250.1926 -202932.1434 2262.9355 0.0000 0.0000 51998.8411 -109487.1523 298.8381 -161485.9934 -109134.3812 298.8610 -267.4574 -246.6183 764002.3096 13.7260 13.7722 LDB: ============= START OF LOAD BALANCING ============== 2554.17 LDB: ============== END OF LOAD BALANCING =============== 2554.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2554.17 LDB: ============= START OF LOAD BALANCING ============== 2554.49 LDB: Largest compute 7060 load 0.029282 is 15.0% of average load 0.195312 LDB: Average compute 0.004389 is 2.2% of average load 0.195312 LDB: TIME 2554.49 LOAD: AVG 0.195312 MAX 0.216434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.691 MB LDB: TIME 2554.49 LOAD: AVG 0.195312 MAX 0.216434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: TIME 2554.49 LOAD: AVG 0.195312 MAX 0.216434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.762 MB LDB: ============== END OF LOAD BALANCING =============== 2554.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2554.5 PRESSURE: 804400 110.617 -181.992 -176.024 -181.992 358.591 35.9757 -176.024 35.9752 111.988 GPRESSURE: 804400 124.432 -233.495 -63.2452 -109.935 404.35 103.332 -122.288 -48.7606 135.387 PRESSAVG: 804400 16.5391 -8.32934 18.4467 -8.32936 14.5711 13.2574 18.4467 13.2574 -15.499 GPRESSAVG: 804400 16.0733 -9.03043 20.2046 -7.63305 14.0212 13.6509 18.4562 11.7355 -14.5985 TIMING: 804400 CPU: 2542.28, 0.00322577/step Wall: 2542.28, 0.00322577/step, 3.75946 hours remaining, 233.941406 MB of memory in use. ENERGY: 804400 4002.7326 20614.1141 14420.1982 242.9728 -203315.3681 2777.1166 0.0000 0.0000 51815.6153 -109442.6183 297.7851 -161258.2336 -109096.0383 298.7481 193.7322 221.3898 761526.2826 5.2037 5.1653 PRESSURE: 804600 -26.4261 84.2766 105.99 84.2767 -72.9727 51.5717 105.989 51.5728 89.5283 GPRESSURE: 804600 24.2941 137.46 171.307 -26.1552 -41.9503 -21.0938 146.187 67.0201 92.6387 PRESSAVG: 804600 -10.3711 20.3403 -41.7478 20.3403 7.54075 -51.964 -41.7478 -51.9639 4.56746 GPRESSAVG: 804600 -9.54019 18.3952 -42.1061 20.4517 7.46448 -52.7091 -42.5393 -50.8892 4.10017 TIMING: 804600 CPU: 2542.91, 0.00314067/step Wall: 2542.91, 0.00314067/step, 3.6601 hours remaining, 234.144531 MB of memory in use. ENERGY: 804600 4073.9462 20356.8080 14449.0791 252.6039 -203110.3632 2618.4915 0.0000 0.0000 52206.4299 -109153.0046 300.0311 -161359.4345 -108792.3872 299.4424 -3.2902 24.9942 761494.8569 0.5790 0.6748 PRESSURE: 804800 -272.785 136.853 212.797 136.852 -82.7694 -84.6513 212.797 -84.6516 -194.309 GPRESSURE: 804800 -279.025 98.2241 250.956 190.536 90.7332 -34.1649 154.769 2.04603 -273.034 PRESSAVG: 804800 26.0646 6.2895 -33.8278 6.28956 25.6343 40.5007 -33.8277 40.5007 -15.8026 GPRESSAVG: 804800 25.4571 7.43822 -35.1652 6.87333 26.597 39.933 -33.1589 42.8117 -16.6951 TIMING: 804800 CPU: 2543.54, 0.00315424/step Wall: 2543.54, 0.00315424/step, 3.67574 hours remaining, 234.144531 MB of memory in use. ENERGY: 804800 3995.5936 20511.7952 14492.6867 250.4743 -203035.7467 2649.5245 0.0000 0.0000 52070.5592 -109065.1131 299.2502 -161135.6723 -108703.7785 299.5259 -183.2878 -153.7752 762116.5705 11.9654 11.7863 PRESSURE: 805000 200.727 -15.4704 -123.394 -15.4696 311.038 -176.11 -123.395 -176.11 178.59 GPRESSURE: 805000 236.18 -36.7889 -100.817 -83.7543 387.342 -171.313 -160.27 -181.727 159.77 PRESSAVG: 805000 -16.5904 17.5595 -0.0819611 17.5595 -16.2414 14.5249 -0.081982 14.5249 13.3338 GPRESSAVG: 805000 -17.0361 16.6909 -0.610217 16.907 -16.9694 14.3407 1.59468 12.5068 14.4123 TIMING: 805000 CPU: 2544.17, 0.00314351/step Wall: 2544.17, 0.00314351/step, 3.66306 hours remaining, 234.144531 MB of memory in use. ENERGY: 805000 3958.3517 20445.0491 14434.4662 226.6872 -203248.2878 2738.3187 0.0000 0.0000 52267.9517 -109177.4632 300.3846 -161445.4149 -108804.6612 299.5993 230.1185 261.0973 761161.7142 -6.4993 -6.5311 PRESSURE: 805200 -54.22 61.1191 -30.4824 61.1191 -81.6166 189.199 -30.4834 189.199 44.6399 GPRESSURE: 805200 -43.0227 56.0517 51.9575 74.4577 4.45646 195.769 -47.1434 183.155 30.136 PRESSAVG: 805200 -19.3786 28.2385 -8.12755 28.2384 -15.048 4.28994 -8.12756 4.28992 17.0544 GPRESSAVG: 805200 -19.9057 29.718 -7.08961 26.7243 -14.6034 5.80882 -8.81509 2.82848 16.5515 TIMING: 805200 CPU: 2544.8, 0.00314654/step Wall: 2544.8, 0.00314654/step, 3.66642 hours remaining, 234.144531 MB of memory in use. ENERGY: 805200 3957.6686 20530.6303 14477.0337 250.3731 -202902.8876 2529.3351 0.0000 0.0000 52145.1062 -109012.7406 299.6786 -161157.8468 -108651.4329 299.3527 -30.3989 -2.8101 764484.6052 -5.7908 -5.9859 PRESSURE: 805400 -1.89877 -212.2 -87.0926 -212.2 -450.541 -0.814867 -87.0924 -0.814947 -316.38 GPRESSURE: 805400 29.8051 -130.382 -66.8744 -122.052 -465.515 -76.5959 -112.871 -82.121 -265.965 PRESSAVG: 805400 -4.08788 37.0838 -6.97157 37.0838 7.73601 26.8835 -6.97161 26.8835 -2.58233 GPRESSAVG: 805400 -3.0265 34.7934 -8.48534 41.542 6.00576 25.1924 -6.49119 29.9288 -2.08021 TIMING: 805400 CPU: 2545.43, 0.00315558/step Wall: 2545.43, 0.00315558/step, 3.67677 hours remaining, 234.144531 MB of memory in use. ENERGY: 805400 4010.3162 20341.3995 14534.4291 237.5267 -203123.9154 2527.8900 0.0000 0.0000 52381.5993 -109090.7546 301.0378 -161472.3539 -108716.6487 299.6027 -256.2732 -233.8918 763341.7467 0.3553 0.2997 PRESSURE: 805600 -255.217 38.7608 -117.352 38.7603 -511.74 32.1815 -117.352 32.1818 212.453 GPRESSURE: 805600 -180.043 94.2849 -154.017 -9.34598 -500.309 72.3896 -102.038 18.5395 194.877 PRESSAVG: 805600 -34.4726 16.281 27.9303 16.281 13.4338 67.3726 27.9304 67.3726 -7.17427 GPRESSAVG: 805600 -35.1082 17.9929 28.2252 13.3318 14.6599 68.0012 25.9113 65.5153 -8.00614 TIMING: 805600 CPU: 2546.06, 0.00314504/step Wall: 2546.06, 0.00314504/step, 3.66432 hours remaining, 234.144531 MB of memory in use. ENERGY: 805600 3948.8050 20571.2405 14544.2707 235.0312 -203020.7445 2437.9715 0.0000 0.0000 52306.0201 -108977.4054 300.6034 -161283.4256 -108611.0221 299.9340 -184.8345 -161.8251 762817.3180 -9.4043 -9.4848 PRESSURE: 805800 -48.0569 116.091 68.1012 116.092 -149.03 -34.8277 68.1011 -34.829 -326.776 GPRESSURE: 805800 -42.8494 49.1688 16.9359 85.737 -99.3887 -11.1087 163.325 -134.753 -298.683 PRESSAVG: 805800 -8.31392 30.2022 -0.695438 30.2022 60.8012 -48.1334 -0.695486 -48.1334 1.87228 GPRESSAVG: 805800 -7.54253 29.3348 0.699607 30.5644 59.6114 -48.018 0.679803 -48.4368 2.61109 TIMING: 805800 CPU: 2546.69, 0.00314951/step Wall: 2546.69, 0.00314951/step, 3.66936 hours remaining, 234.144531 MB of memory in use. ENERGY: 805800 3964.2688 20515.8316 14468.3399 232.3477 -202576.2911 2292.1748 0.0000 0.0000 51823.4423 -109279.8859 297.8300 -161103.3281 -108914.2916 299.4648 -174.6210 -146.9737 761915.5659 18.1198 18.2266 PRESSURE: 806000 -225.084 -54.0065 111.072 -54.0059 294.808 -2.42178 111.072 -2.42216 -65.6229 GPRESSURE: 806000 -183.386 48.5809 90.2525 -4.70501 300.295 -9.61803 53.0426 -5.99493 -32.7708 PRESSAVG: 806000 -23.7989 -52.1958 -8.5887 -52.1958 26.059 -47.3226 -8.5887 -47.3226 -1.63864 GPRESSAVG: 806000 -23.6891 -51.2768 -8.46388 -52.7559 26.4739 -48.3796 -8.04534 -46.5846 -2.80002 TIMING: 806000 CPU: 2547.32, 0.0031504/step Wall: 2547.32, 0.0031504/step, 3.67022 hours remaining, 234.144531 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: 806000 3943.4745 20480.8337 14525.5610 245.0199 -202801.1350 2428.8570 0.0000 0.0000 51903.0600 -109274.3289 298.2876 -161177.3888 -108912.8598 299.4539 1.3672 28.0460 763880.3108 0.2072 -0.0051 PRESSURE: 806200 8.89639 -79.2672 -12.5363 -79.267 183.671 -35.9461 -12.5355 -35.9457 -242.174 GPRESSURE: 806200 45.8987 -71.9101 -5.57911 -115.978 307.696 -144.186 4.79419 48.8211 -323.988 PRESSAVG: 806200 -53.6906 -16.9529 -12.2509 -16.9528 64.1748 -50.8579 -12.2509 -50.858 18.7426 GPRESSAVG: 806200 -54.3932 -16.969 -12.1015 -17.2407 64.2172 -50.7 -13.4579 -51.0107 18.9487 TIMING: 806200 CPU: 2547.95, 0.00315772/step Wall: 2547.95, 0.00315772/step, 3.67857 hours remaining, 234.144531 MB of memory in use. ENERGY: 806200 3884.5917 20483.0235 14478.5251 252.4712 -203276.9099 2462.9401 0.0000 0.0000 52106.0107 -109609.3476 299.4540 -161715.3583 -109243.0259 298.6356 -16.5356 9.8688 762233.3349 9.7423 9.5909 PRESSURE: 806400 73.896 -21.3853 -114.537 -21.385 42.6417 93.1361 -114.537 93.1361 -28.4565 GPRESSURE: 806400 102.256 44.8864 -115.049 -152.102 5.21414 114.896 -105.196 -72.0217 40.5531 PRESSAVG: 806400 -12.7308 -11.9774 -18.407 -11.9774 -26.4914 9.3502 -18.4071 9.35026 -27.9129 GPRESSAVG: 806400 -12.5554 -12.7366 -19.495 -12.1302 -26.5327 12.3276 -18.0037 6.94446 -27.8606 TIMING: 806400 CPU: 2548.58, 0.00316259/step Wall: 2548.58, 0.00316259/step, 3.68406 hours remaining, 234.144531 MB of memory in use. ENERGY: 806400 3997.5594 20493.0377 14493.8717 288.3056 -203466.6547 2837.0097 0.0000 0.0000 51698.1050 -109658.7656 297.1097 -161356.8705 -109314.9715 298.0714 29.3604 49.3410 762218.7389 -22.3784 -22.3162 PRESSURE: 806600 67.7611 13.2898 279.449 13.2902 356.252 -11.4234 279.45 -11.4229 -155.542 GPRESSURE: 806600 82.987 -25.1236 63.366 -11.0623 407.56 -57.9797 342.147 39.7376 -142.31 PRESSAVG: 806600 23.8093 -25.4069 31.5749 -25.4068 -1.27739 44.1702 31.5748 44.1702 20.4397 GPRESSAVG: 806600 24.625 -26.9481 31.7969 -23.8568 -1.3425 42.8983 32.0698 44.5781 19.9901 TIMING: 806600 CPU: 2549.21, 0.00314285/step Wall: 2549.21, 0.00314285/step, 3.66089 hours remaining, 234.144531 MB of memory in use. ENERGY: 806600 4029.9919 20527.6587 14540.1041 239.8734 -203772.0389 2901.2742 0.0000 0.0000 52034.1868 -109498.9499 299.0412 -161533.1367 -109140.4110 298.5670 89.4905 116.0789 761470.9812 14.3239 14.4242 PRESSURE: 806800 9.13862 44.2095 -117.752 44.2101 -45.9705 -51.5396 -117.751 -51.5392 -246.821 GPRESSURE: 806800 -13.8691 135.806 -109.46 113.424 -6.27495 -30.8498 -324.658 42.9669 -203.634 PRESSAVG: 806800 16.3514 34.2543 23.8373 34.2543 20.7002 -25.9981 23.8373 -25.998 0.733788 GPRESSAVG: 806800 16.1715 35.5406 23.8853 34.8173 19.7716 -26.3967 22.6221 -25.5253 1.58249 TIMING: 806800 CPU: 2549.84, 0.00314711/step Wall: 2549.84, 0.00314711/step, 3.66568 hours remaining, 234.144531 MB of memory in use. ENERGY: 806800 3984.7507 20465.2564 14562.9525 237.1038 -203638.1694 2775.9246 0.0000 0.0000 51959.6716 -109652.5098 298.6129 -161612.1813 -109289.4048 298.8558 -94.5510 -74.5927 761805.3148 12.5951 12.5085 PRESSURE: 807000 133.018 38.3167 132.633 38.3165 245.692 134.278 132.633 134.277 124.641 GPRESSURE: 807000 203.191 -80.0574 64.4843 -2.72193 272.241 51.9894 133.748 -44.8127 120.776 PRESSAVG: 807000 -33.7259 11.805 -41.8711 11.805 43.432 4.47326 -41.871 4.47324 13.8636 GPRESSAVG: 807000 -34.8469 10.972 -41.3186 11.7717 44.0902 4.13028 -44.1283 6.50317 13.5198 TIMING: 807000 CPU: 2550.47, 0.00313478/step Wall: 2550.47, 0.00313478/step, 3.65115 hours remaining, 234.144531 MB of memory in use. ENERGY: 807000 3895.6059 20499.0911 14527.7574 266.3299 -203327.7073 2699.1218 0.0000 0.0000 51815.7175 -109624.0836 297.7856 -161439.8011 -109265.8560 298.5482 167.7838 198.7355 762235.0078 7.8566 7.5877 PRESSURE: 807200 179.501 -29.6703 -12.6137 -29.6707 181.178 -162.092 -12.6131 -162.092 -195.5 GPRESSURE: 807200 124.259 24.3521 -44.8566 18.3321 311.931 -114.665 -26.3471 -54.8218 -180.058 PRESSAVG: 807200 19.6898 15.9349 -16.6322 15.9349 3.9058 39.8568 -16.6322 39.8568 -26.8709 GPRESSAVG: 807200 19.7612 15.9054 -18.1188 14.8524 4.83679 38.6797 -12.3022 37.6087 -27.6428 TIMING: 807200 CPU: 2551.1, 0.00314774/step Wall: 2551.1, 0.00314774/step, 3.66606 hours remaining, 234.144531 MB of memory in use. ENERGY: 807200 3917.4926 20470.7190 14522.1896 268.4852 -203515.0588 2729.8389 0.0000 0.0000 52020.9748 -109585.3587 298.9653 -161606.3335 -109219.2466 298.5394 55.0600 85.3773 761524.1618 -1.0918 -1.0149 PRESSURE: 807400 -431.423 -97.143 148.488 -97.1436 270.265 -100.907 148.488 -100.908 171.737 GPRESSURE: 807400 -293.085 -256.653 126.382 -17.2678 207.477 -28.9856 59.3794 -140.415 164.677 PRESSAVG: 807400 -39.5756 13.3738 -29.64 13.3738 30.7382 -25.4582 -29.64 -25.4582 -1.64117 GPRESSAVG: 807400 -38.0075 15.4889 -29.4381 13.5087 29.014 -25.3757 -30.6557 -24.888 -1.61496 TIMING: 807400 CPU: 2551.72, 0.00313556/step Wall: 2551.72, 0.00313556/step, 3.65171 hours remaining, 234.144531 MB of memory in use. ENERGY: 807400 3974.3760 20486.8644 14433.9029 267.9331 -203452.6038 2753.8002 0.0000 0.0000 52041.7186 -109494.0086 299.0845 -161535.7272 -109128.8164 298.4538 3.5262 26.3562 760663.5046 -3.4928 -3.5362 PRESSURE: 807600 -284.195 -16.254 -167.461 -16.2548 -124.263 -80.9494 -167.462 -80.9484 331.07 GPRESSURE: 807600 -285.656 -90.1197 -288.36 -20.7516 -30.8514 -60.8306 -109.692 -102.1 324.999 PRESSAVG: 807600 5.55525 0.970329 -8.2913 0.970354 -30.8758 -18.3395 -8.2913 -18.3396 -11.2047 GPRESSAVG: 807600 6.16095 0.326418 -6.24179 0.121531 -30.5656 -16.5037 -8.81806 -20.8775 -12.1432 TIMING: 807600 CPU: 2552.35, 0.00312812/step Wall: 2552.35, 0.00312812/step, 3.64287 hours remaining, 234.144531 MB of memory in use. ENERGY: 807600 3942.0616 20474.2509 14456.4364 249.0736 -203666.6096 2933.3477 0.0000 0.0000 52170.8068 -109440.6326 299.8263 -161611.4394 -109067.0230 298.9623 -25.7961 2.8305 762662.7398 -12.1751 -12.1826 PRESSURE: 807800 -139.987 -46.0089 58.4741 -46.0081 -255.904 -12.3548 58.4736 -12.3554 -706.944 GPRESSURE: 807800 -173.345 -80.0403 92.9345 -68.4716 -133.39 -43.5147 85.4638 88.1376 -705.197 PRESSAVG: 807800 47.3925 56.2019 -63.48 56.2019 -29.2021 4.53307 -63.48 4.53302 -11.8776 GPRESSAVG: 807800 45.0109 56.8223 -63.8702 56.296 -27.6261 5.20161 -65.536 6.75748 -10.2689 TIMING: 807800 CPU: 2552.98, 0.00313853/step Wall: 2552.98, 0.00313853/step, 3.65482 hours remaining, 234.144531 MB of memory in use. ENERGY: 807800 4049.7597 20525.7857 14491.0025 237.4482 -203773.5417 2731.5844 0.0000 0.0000 52155.9907 -109581.9704 299.7412 -161737.9611 -109219.8538 298.4299 -367.6115 -337.3105 762102.1094 2.1043 2.3720 PRESSURE: 808000 44.6232 183.433 -85.8121 183.433 -161.261 -54.4036 -85.812 -54.4023 206.829 GPRESSURE: 808000 120.473 160.895 -47.9917 218.74 -144.788 -70.1708 -186.747 -46.5154 199.017 PRESSAVG: 808000 -6.45271 31.3351 9.60349 31.3351 62.4854 35.3968 9.60349 35.3968 15.9068 GPRESSAVG: 808000 -4.97348 31.0082 9.27195 30.6247 61.1247 33.5247 9.93741 37.479 15.2827 TIMING: 808000 CPU: 2553.6, 0.00314004/step Wall: 2553.6, 0.00314004/step, 3.6564 hours remaining, 234.144531 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: 808000 3988.6964 20464.5635 14515.9655 259.9234 -203195.2397 2583.1366 0.0000 0.0000 52224.3403 -109158.6140 300.1340 -161382.9543 -108793.4666 299.1865 30.0637 58.2341 761664.4583 23.9798 23.8113 PRESSURE: 808200 0.528732 126.969 71.4638 126.97 -153.899 116.983 71.4634 116.982 -76.4361 GPRESSURE: 808200 31.2911 100.227 65.9869 60.5938 -157.346 92.99 236.814 144.362 -44.4103 PRESSAVG: 808200 19.2787 36.3501 39.9758 36.3502 -25.7364 37.6419 39.9758 37.6419 -11.7823 GPRESSAVG: 808200 18.9948 36.4206 39.4433 37.8653 -24.4787 40.0972 41.4201 35.9679 -13.0815 TIMING: 808200 CPU: 2554.24, 0.0031584/step Wall: 2554.24, 0.0031584/step, 3.67761 hours remaining, 234.144531 MB of memory in use. ENERGY: 808200 4050.8094 20630.3446 14485.7075 232.4338 -203097.1632 2447.0273 0.0000 0.0000 52014.1279 -109236.7127 298.9259 -161250.8406 -108872.6024 299.4537 -76.6021 -56.8218 761691.3450 -6.0800 -6.1885 LDB: ============= START OF LOAD BALANCING ============== 2566.77 LDB: ============== END OF LOAD BALANCING =============== 2566.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2566.77 LDB: ============= START OF LOAD BALANCING ============== 2567.09 LDB: Largest compute 7070 load 0.031910 is 16.3% of average load 0.195225 LDB: Average compute 0.004406 is 2.3% of average load 0.195225 LDB: TIME 2567.09 LOAD: AVG 0.195225 MAX 0.217099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.402 MB LDB: TIME 2567.09 LOAD: AVG 0.195225 MAX 0.217099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.48 MB LDB: TIME 2567.09 LOAD: AVG 0.195225 MAX 0.217099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.48 MB LDB: ============== END OF LOAD BALANCING =============== 2567.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2567.1 PRESSURE: 808400 200.989 145.691 33.3409 145.691 -309.427 218.374 33.341 218.374 39.0445 GPRESSURE: 808400 83.755 204.986 -11.2376 131.783 -149.682 193.078 90.0746 215.875 64.9779 PRESSAVG: 808400 75.2312 9.86376 8.01836 9.86374 -82.6871 19.131 8.01836 19.131 -21.7294 GPRESSAVG: 808400 75.5636 12.2223 7.38239 9.57463 -84.689 17.2995 6.90519 18.8797 -20.5935 TIMING: 808400 CPU: 2554.88, 0.00324858/step Wall: 2554.88, 0.00324858/step, 3.78243 hours remaining, 232.222656 MB of memory in use. ENERGY: 808400 3941.2471 20538.0491 14502.9520 252.1244 -203345.6540 2719.1733 0.0000 0.0000 52069.5725 -109322.5357 299.2445 -161392.1082 -108958.0858 298.9446 -23.1312 -0.3163 763160.6892 -9.7285 -9.9063 PRESSURE: 808600 -361.418 123.215 35.8941 123.216 31.6345 17.6795 35.8941 17.6795 -188.052 GPRESSURE: 808600 -281.437 35.5234 7.32365 195.771 4.53226 -62.1685 -60.0485 44.2313 -133.232 PRESSAVG: 808600 14.0042 61.8682 -50.2801 61.8682 -38.5057 -1.50461 -50.2801 -1.50463 -15.2931 GPRESSAVG: 808600 14.0692 60.9934 -48.5577 61.2848 -39.0041 -2.50439 -48.4544 -2.47744 -14.5564 TIMING: 808600 CPU: 2555.52, 0.00316262/step Wall: 2555.52, 0.00316262/step, 3.68217 hours remaining, 232.425781 MB of memory in use. ENERGY: 808600 3976.9239 20451.2310 14489.0202 226.4788 -203196.2278 2642.0687 0.0000 0.0000 52172.8328 -109237.6724 299.8380 -161410.5052 -108872.9187 299.0024 -172.6118 -136.7123 763712.0251 -13.2649 -13.1638 PRESSURE: 808800 -203.036 -53.6915 -135.993 -53.6925 -22.2049 91.9078 -135.992 91.9088 -207.179 GPRESSURE: 808800 -155.458 -26.498 -102.736 -133.719 -48.4305 171.889 -61.2152 210.71 -158.871 PRESSAVG: 808800 -20.2509 44.1413 8.45202 44.1413 33.1548 39.4413 8.45203 39.4413 1.54763 GPRESSAVG: 808800 -20.7244 43.2548 6.3134 43.9615 33.7463 40.1522 9.00293 42.7035 1.63221 TIMING: 808800 CPU: 2556.15, 0.00317868/step Wall: 2556.15, 0.00317868/step, 3.70069 hours remaining, 232.425781 MB of memory in use. ENERGY: 808800 4042.1337 20736.4366 14460.2983 258.3684 -203013.5334 2464.6465 0.0000 0.0000 51612.3120 -109439.3378 296.6167 -161051.6498 -109092.7832 298.8242 -144.1397 -120.9199 760363.9446 4.8172 4.8847 PRESSURE: 809000 41.498 -98.0223 -139.303 -98.0215 -155.956 -356.971 -139.303 -356.971 -141.86 GPRESSURE: 809000 103.591 -118.682 -86.1363 -78.4837 -180.906 -292.455 -203.688 -346.82 -104.368 PRESSAVG: 809000 23.3686 29.9698 -67.6011 29.9698 -57.184 -57.9577 -67.6011 -57.9577 13.3733 GPRESSAVG: 809000 23.1505 28.3663 -66.159 30.215 -57.1464 -57.6384 -69.6451 -61.3573 13.2893 TIMING: 809000 CPU: 2556.79, 0.00316384/step Wall: 2556.79, 0.00316384/step, 3.68324 hours remaining, 232.425781 MB of memory in use. ENERGY: 809000 4001.7426 20421.9497 14408.3606 248.1707 -203023.6905 2348.2732 0.0000 0.0000 52140.5834 -109454.6103 299.6526 -161595.1938 -109090.3708 298.8164 -85.4394 -60.5610 760108.0086 -6.8140 -6.9022 PRESSURE: 809200 211.151 -172.225 -42.0955 -172.226 -81.007 -71.3466 -42.096 -71.3474 -112.058 GPRESSURE: 809200 343.054 -189.941 -47.971 24.3081 -82.2936 -82.1821 -15.0598 -166.707 -146.19 PRESSAVG: 809200 2.11514 46.7828 -35.602 46.7828 -55.5375 -42.8233 -35.6021 -42.8233 -17.931 GPRESSAVG: 809200 3.98813 50.0278 -34.3587 46.9206 -55.7891 -44.6836 -35.8522 -41.3645 -19.6465 TIMING: 809200 CPU: 2557.42, 0.00316146/step Wall: 2557.42, 0.00316146/step, 3.68029 hours remaining, 232.425781 MB of memory in use. ENERGY: 809200 3958.8495 20508.5793 14541.3841 231.9341 -203343.2360 2645.2887 0.0000 0.0000 51958.7344 -109498.4659 298.6076 -161457.2003 -109140.9246 299.2322 6.0287 38.1899 760310.3120 -23.7845 -23.8158 PRESSURE: 809400 256.805 124.19 -94.6338 124.191 -161.849 -99.6249 -94.6331 -99.6239 428.985 GPRESSURE: 809400 302.923 9.10316 -114.255 -13.6941 -116.984 -73.0914 -177.967 -61.8408 426.91 PRESSAVG: 809400 79.3746 22.0056 13.2925 22.0055 -59.4796 17.8085 13.2925 17.8086 4.03493 GPRESSAVG: 809400 77.447 20.9228 11.876 22.885 -58.4971 18.7493 12.4136 15.8844 5.15876 TIMING: 809400 CPU: 2558.05, 0.00317444/step Wall: 2558.05, 0.00317444/step, 3.69522 hours remaining, 232.425781 MB of memory in use. ENERGY: 809400 3922.4807 20516.5583 14464.8456 263.1325 -203304.6696 2541.2086 0.0000 0.0000 52010.1433 -109586.3007 298.9030 -161596.4440 -109220.3621 298.5755 174.6471 204.2831 758920.8080 7.9766 8.0362 PRESSURE: 809600 -49.3576 -59.5312 66.2613 -59.5316 58.3592 7.57743 66.2608 7.57757 -3.07093 GPRESSURE: 809600 -171.245 -151.233 65.8594 -108.824 185.738 12.6138 17.4311 -42.8218 80.2838 PRESSAVG: 809600 47.9275 -19.841 -28.4292 -19.841 -84.3107 -11.7112 -28.4292 -11.7112 -8.34772 GPRESSAVG: 809600 49.3891 -18.9958 -28.9016 -21.811 -85.0668 -11.1179 -27.4303 -9.58026 -8.58142 TIMING: 809600 CPU: 2558.69, 0.00319008/step Wall: 2558.69, 0.00319008/step, 3.71326 hours remaining, 232.425781 MB of memory in use. ENERGY: 809600 4039.8382 20464.3176 14500.9231 248.6681 -203339.8047 2668.7841 0.0000 0.0000 51981.2945 -109435.9792 298.7372 -161417.2737 -109085.6089 299.0684 1.9769 31.5921 761782.7336 -14.9103 -14.7530 PRESSURE: 809800 92.9252 187.045 42.6075 187.044 206.22 -2.54738 42.6076 -2.54717 -192.902 GPRESSURE: 809800 14.3395 98.392 -31.7702 217.483 268.802 69.5087 88.7849 46.094 -85.9486 PRESSAVG: 809800 0.60125 -59.5898 14.8141 -59.5898 -2.23406 -6.53713 14.8141 -6.53713 -2.40713 GPRESSAVG: 809800 0.83514 -59.8774 15.5539 -60.0978 -2.98618 -7.19682 13.3241 -6.28461 -1.72632 TIMING: 809800 CPU: 2559.32, 0.00314849/step Wall: 2559.32, 0.00314849/step, 3.66466 hours remaining, 232.425781 MB of memory in use. ENERGY: 809800 3935.9659 20487.1009 14560.1956 260.9669 -203257.4106 2620.1418 0.0000 0.0000 51971.7204 -109421.3192 298.6822 -161393.0396 -109071.7683 298.7887 35.4141 65.7311 760444.6501 -1.3466 -1.2925 PRESSURE: 810000 -314.206 -57.8724 34.6241 -57.8725 68.5422 22.3477 34.6241 22.348 -214.625 GPRESSURE: 810000 -235.13 -37.1098 84.0773 -157.633 123.495 69.2026 27.1307 -3.57346 -233.115 PRESSAVG: 810000 32.545 68.1064 33.1617 68.1065 22.5436 -26.0829 33.1616 -26.0829 13.6153 GPRESSAVG: 810000 32.882 67.5087 32.2722 69.7359 23.3606 -26.0459 34.7016 -27.1981 12.7099 TIMING: 810000 CPU: 2559.95, 0.00314967/step Wall: 2559.95, 0.00314967/step, 3.66587 hours remaining, 232.425781 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: 810000 3941.2360 20396.5153 14474.6664 269.3363 -203290.1205 2499.6927 0.0000 0.0000 52207.7366 -109500.9373 300.0386 -161708.6738 -109139.9172 298.5890 -153.4295 -114.9168 759998.9342 22.9013 22.9842 PRESSURE: 810200 169.17 3.41788 119.955 3.41791 352.036 195.024 119.955 195.024 278.316 GPRESSURE: 810200 207.244 -68.3872 95.5831 -21.7449 405.945 225.716 58.8983 120.248 272.678 PRESSAVG: 810200 -38.6932 -35.5287 23.5176 -35.5287 39.8956 37.8618 23.5176 37.8617 7.90183 GPRESSAVG: 810200 -39.382 -35.4561 24.045 -36.2164 40.046 39.5464 23.4313 36.5228 8.41542 TIMING: 810200 CPU: 2560.58, 0.00314998/step Wall: 2560.58, 0.00314998/step, 3.66605 hours remaining, 232.425781 MB of memory in use. ENERGY: 810200 3872.3725 20488.9914 14455.8162 262.0305 -203392.8997 2775.7476 0.0000 0.0000 51912.5164 -109625.4250 298.3419 -161537.9414 -109257.3541 298.8301 266.5077 295.2890 760007.2678 3.0347 3.0265 PRESSURE: 810400 -194.437 -137.538 293.676 -137.538 -180.112 -68.345 293.676 -68.3445 241.847 GPRESSURE: 810400 -94.7451 -141.72 255.604 -107.647 -109.329 -20.6888 217.098 -242.773 143.235 PRESSAVG: 810400 -22.6697 26.1378 -0.363681 26.1378 81.2626 25.3875 -0.363721 25.3874 -13.3123 GPRESSAVG: 810400 -21.645 25.1185 -1.45621 27.0032 80.0931 25.8955 0.575148 24.8313 -12.883 TIMING: 810400 CPU: 2561.21, 0.00313679/step Wall: 2561.21, 0.00313679/step, 3.65053 hours remaining, 232.425781 MB of memory in use. ENERGY: 810400 3971.1185 20484.7500 14530.9209 253.5364 -203188.4638 2547.2456 0.0000 0.0000 51795.9512 -109604.9412 297.6720 -161400.8924 -109243.7640 298.4435 -44.2338 -20.2798 762488.4131 15.0936 15.1884 PRESSURE: 810600 -239.424 -112.803 -208.326 -112.803 218.853 -35.6161 -208.327 -35.6166 -72.3958 GPRESSURE: 810600 -121.574 -176.091 -239.536 -142.56 185.482 36.0005 -264.959 -62.6269 -86.6193 PRESSAVG: 810600 -55.4096 2.35355 27.5213 2.3536 30.3221 14.8516 27.5213 14.8517 12.7615 GPRESSAVG: 810600 -56.4683 2.07092 27.753 3.8544 30.6455 15.5239 26.5086 14.5426 12.3414 TIMING: 810600 CPU: 2561.84, 0.00315649/step Wall: 2561.84, 0.00315649/step, 3.67327 hours remaining, 232.425781 MB of memory in use. ENERGY: 810600 3905.8898 20315.7981 14427.4628 268.6742 -203068.4461 2535.9249 0.0000 0.0000 51922.8873 -109691.8091 298.4015 -161614.6964 -109320.5769 297.7817 -30.9889 -7.5704 763970.2558 -4.1087 -4.4938 PRESSURE: 810800 -100.015 -19.3551 -212.104 -19.3547 -294.183 70.597 -212.104 70.5958 504.187 GPRESSURE: 810800 -130.662 -138.511 -222.665 -77.4014 -168.801 29.4494 -175.799 26.17 473.922 PRESSAVG: 810800 -41.9228 14.7783 -15.3571 14.7783 15.7772 9.88777 -15.3571 9.88767 -9.96136 GPRESSAVG: 810800 -43.0953 14.5001 -16.0995 14.6739 16.8025 7.74141 -14.5547 11.0435 -9.82317 TIMING: 810800 CPU: 2562.47, 0.00315206/step Wall: 2562.47, 0.00315206/step, 3.66794 hours remaining, 232.425781 MB of memory in use. ENERGY: 810800 4049.0651 20474.4949 14454.8867 259.3941 -203356.4638 2702.5046 0.0000 0.0000 52023.0708 -109393.0476 298.9773 -161416.1183 -109031.9844 298.2615 36.6631 58.1529 761124.7492 -12.0357 -12.0387 PRESSURE: 811000 -10.863 -18.446 163.044 -18.4456 361.666 38.5685 163.044 38.568 10.1567 GPRESSURE: 811000 16.1992 18.1022 45.9795 -13.5724 371.761 48.2208 231.671 -23.3001 73.8334 PRESSAVG: 811000 2.05863 15.5228 -13.5384 15.5228 -1.00283 69.7848 -13.5384 69.7848 0.718573 GPRESSAVG: 811000 2.63972 14.2905 -13.861 13.6432 -1.42562 69.2245 -13.2125 71.5076 0.732472 TIMING: 811000 CPU: 2563.1, 0.00315314/step Wall: 2563.1, 0.00315314/step, 3.66903 hours remaining, 232.425781 MB of memory in use. ENERGY: 811000 3958.1110 20536.8648 14492.0757 245.8758 -203546.2150 2873.5368 0.0000 0.0000 51971.3759 -109468.3751 298.6802 -161439.7510 -109107.4676 298.5282 120.3198 153.9311 761825.2569 0.5915 0.6489 PRESSURE: 811200 -115.495 64.9202 -30.386 64.9205 -157.5 83.0953 -30.3861 83.095 400.599 GPRESSURE: 811200 -88.8759 40.3988 -37.6526 107.2 -119.097 33.0105 14.4602 31.0938 421.547 PRESSAVG: 811200 41.237 17.268 52.2881 17.268 16.3243 23.4234 52.2882 23.4234 16.753 GPRESSAVG: 811200 41.3556 18.4079 53.7672 19.0561 15.7687 24.3165 51.5925 21.6969 17.4368 TIMING: 811200 CPU: 2563.73, 0.0031686/step Wall: 2563.73, 0.0031686/step, 3.68684 hours remaining, 232.425781 MB of memory in use. ENERGY: 811200 3904.7673 20449.3111 14495.4130 253.8592 -203213.3597 2561.0706 0.0000 0.0000 52021.7869 -109527.1515 298.9699 -161548.9384 -109170.9162 298.8535 42.5349 71.1911 762016.9273 24.7714 24.8537 PRESSURE: 811400 362.583 -102.104 -121.387 -102.105 75.1409 1.67237 -121.386 1.67261 153.864 GPRESSURE: 811400 424.285 -111.711 -123.916 -136.883 118.778 22.2113 -94.0379 -27.117 110.471 PRESSAVG: 811400 4.63177 14.5379 6.46936 14.5379 -6.94044 33.6826 6.46935 33.6826 -16.8262 GPRESSAVG: 811400 4.58643 15.725 6.9364 14.6924 -6.17575 33.9658 6.92088 34.0959 -17.4717 TIMING: 811400 CPU: 2564.37, 0.00317587/step Wall: 2564.37, 0.00317587/step, 3.69512 hours remaining, 232.425781 MB of memory in use. ENERGY: 811400 3918.0636 20556.6159 14430.2395 236.2956 -203878.8097 3190.7140 0.0000 0.0000 52195.1022 -109351.7790 299.9660 -161546.8812 -108987.7529 298.1473 197.1959 217.8446 762555.1195 -6.3783 -6.3537 PRESSURE: 811600 186.182 -75.9504 -105.324 -75.9505 -31.0909 15.6106 -105.325 15.6109 162.801 GPRESSURE: 811600 175.697 -91.2283 -84.0833 -14.1503 58.8192 23.3309 -94.8875 -102.33 160.374 PRESSAVG: 811600 -20.9661 -13.3547 -4.36111 -13.3546 37.5468 59.8787 -4.36117 59.8788 2.138 GPRESSAVG: 811600 -20.7192 -11.9988 -4.83965 -13.5361 37.9024 61.4422 -5.22306 56.9347 1.86125 TIMING: 811600 CPU: 2565, 0.00315532/step Wall: 2565, 0.00315532/step, 3.67104 hours remaining, 232.425781 MB of memory in use. ENERGY: 811600 3985.6348 20487.6168 14443.5410 233.5293 -202984.2075 2747.2631 0.0000 0.0000 51942.1536 -109144.4689 298.5123 -161086.6225 -108780.9603 299.2762 105.9638 131.6300 763135.1550 6.2396 6.3482 PRESSURE: 811800 -57.2095 -49.3234 32.8565 -49.3242 85.3458 -109.492 32.856 -109.493 -56.5099 GPRESSURE: 811800 -60.2756 -92.6878 4.72811 -22.0526 130.568 -110.383 93.7219 38.5822 -17.3382 PRESSAVG: 811800 -0.00515831 -11.4699 -1.15286 -11.47 88.8702 22.1925 -1.15289 22.1925 -2.75938 GPRESSAVG: 811800 0.461661 -13.3374 -2.08856 -10.4173 88.3981 19.9343 -2.01892 26.8062 -3.02919 TIMING: 811800 CPU: 2565.63, 0.00312935/step Wall: 2565.63, 0.00312935/step, 3.64065 hours remaining, 232.425781 MB of memory in use. ENERGY: 811800 4011.2464 20652.6190 14550.5214 236.8642 -203454.2809 2704.1163 0.0000 0.0000 52213.4716 -109085.4421 300.0715 -161298.9137 -108730.3451 299.3470 -9.4578 17.6515 760835.9217 28.7019 28.6102 PRESSURE: 812000 -4.15483 -8.49239 225.397 -8.49138 -186.872 16.3971 225.397 16.3976 195.362 GPRESSURE: 812000 124.556 -117.289 226.17 -120.942 -203.374 53.1424 88.4252 -73.0139 186.731 PRESSAVG: 812000 -39.3829 -0.120157 1.62879 -0.120224 23.0794 9.8475 1.62874 9.84751 4.85272 GPRESSAVG: 812000 -39.9605 -0.608989 2.27716 -0.382135 22.5516 10.5962 0.746406 6.20556 5.95717 TIMING: 812000 CPU: 2566.26, 0.00317786/step Wall: 2566.26, 0.00317786/step, 3.69691 hours remaining, 232.425781 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: 812000 3997.5706 20489.4977 14509.8982 254.3107 -203008.8261 2537.5857 0.0000 0.0000 51917.9208 -109302.0424 298.3730 -161219.9631 -108949.9664 299.4756 1.4453 35.9710 762548.7451 -3.8169 -3.8172 PRESSURE: 812200 -204.371 81.9053 -106.613 81.9059 -289.337 64.8179 -106.614 64.8185 144.061 GPRESSURE: 812200 -151.832 -2.40811 -89.8714 138.889 -189.59 115.115 -134.426 -14.3555 92.1821 PRESSAVG: 812200 17.5961 27.4073 37.073 27.4074 -22.5297 -23.4276 37.073 -23.4276 -8.46796 GPRESSAVG: 812200 18.2279 26.3694 37.1928 26.9033 -21.7858 -23.6999 36.7315 -21.5696 -9.41991 TIMING: 812200 CPU: 2566.9, 0.00316956/step Wall: 2566.9, 0.00316956/step, 3.68708 hours remaining, 232.425781 MB of memory in use. ENERGY: 812200 4022.5289 20531.0510 14507.3801 251.3212 -203149.8820 2536.6916 0.0000 0.0000 51965.2673 -109335.6419 298.6451 -161300.9092 -108971.9721 298.9166 -116.5490 -83.0798 762967.5760 -4.4672 -4.3259 LDB: ============= START OF LOAD BALANCING ============== 2579.43 LDB: ============== END OF LOAD BALANCING =============== 2579.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2579.43 LDB: ============= START OF LOAD BALANCING ============== 2579.74 LDB: Largest compute 7070 load 0.033278 is 17.0% of average load 0.195277 LDB: Average compute 0.004408 is 2.3% of average load 0.195277 LDB: TIME 2579.75 LOAD: AVG 0.195277 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.277 MB LDB: TIME 2579.75 LOAD: AVG 0.195277 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.48 MB LDB: TIME 2579.75 LOAD: AVG 0.195277 MAX 0.217032 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.48 MB LDB: ============== END OF LOAD BALANCING =============== 2579.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2579.75 PRESSURE: 812400 -79.4663 -160.324 -75.6049 -160.325 -23.9071 -43.4956 -75.6049 -43.496 -118.651 GPRESSURE: 812400 -20.7098 -94.0975 -86.3705 -154.715 46.142 64.9972 92.5367 -119.038 -158.199 PRESSAVG: 812400 -15.3427 12.2741 -3.45054 12.2741 17.9685 10.9431 -3.45053 10.9431 3.21207 GPRESSAVG: 812400 -14.3568 15.3251 -2.99322 12.2338 16.4453 10.9817 -2.15497 11.6584 4.02873 TIMING: 812400 CPU: 2567.54, 0.0032069/step Wall: 2567.54, 0.0032069/step, 3.73033 hours remaining, 232.664062 MB of memory in use. ENERGY: 812400 3983.0424 20572.8661 14441.3653 238.5177 -203038.2850 2433.5944 0.0000 0.0000 52326.6093 -109042.2898 300.7217 -161368.8991 -108674.7322 299.1419 -74.0081 -44.2556 762299.0467 1.9460 2.0391 PRESSURE: 812600 174.038 209.08 -12.2869 209.08 271.553 6.95067 -12.287 6.95103 178.168 GPRESSURE: 812600 216.93 74.7681 -92.4694 138.653 319.379 -38.8591 -86.2571 -14.3715 173.806 PRESSAVG: 812600 -12.9206 -20.3315 -22.8565 -20.3314 54.2417 7.5843 -22.8565 7.58422 -4.85058 GPRESSAVG: 812600 -13.1399 -21.4263 -24.9298 -22.0305 54.587 7.92276 -21.8451 6.67006 -5.01239 TIMING: 812600 CPU: 2568.17, 0.00314277/step Wall: 2568.17, 0.00314277/step, 3.65556 hours remaining, 232.867188 MB of memory in use. ENERGY: 812600 3927.3031 20732.1934 14445.5243 232.1557 -203164.0084 2550.5661 0.0000 0.0000 52167.4181 -109108.8477 299.8069 -161276.2658 -108748.9729 299.6408 207.9196 236.7049 760841.6485 12.1568 12.1449 PRESSURE: 812800 -509.635 341.177 -28.1489 341.176 107.417 97.7216 -28.1496 97.7208 106.007 GPRESSURE: 812800 -540.763 296.041 -3.0285 311.213 190.726 88.4883 -47.059 60.417 134.562 PRESSAVG: 812800 -7.57846 25.0153 -2.44821 25.0152 10.1965 16.3402 -2.44818 16.3402 -4.08286 GPRESSAVG: 812800 -8.35734 22.7571 -2.32245 26.3689 11.7458 15.5376 -0.79947 17.7184 -5.49805 TIMING: 812800 CPU: 2568.79, 0.00313805/step Wall: 2568.79, 0.00313805/step, 3.6499 hours remaining, 232.867188 MB of memory in use. ENERGY: 812800 4010.1979 20762.7269 14502.3951 251.9410 -203441.6890 2581.5790 0.0000 0.0000 51971.6260 -109361.2231 298.6816 -161332.8491 -108999.1924 300.1454 -98.7372 -71.8250 761676.7481 -0.4883 -0.7032 PRESSURE: 813000 189.847 -4.58841 -129.006 -4.58833 365.084 13.9425 -129.006 13.9428 196.623 GPRESSURE: 813000 188.743 -5.0344 -32.7606 -23.1648 411.847 0.575194 -107.255 -16.1172 232.455 PRESSAVG: 813000 5.64518 11.9137 35.4569 11.9138 18.0467 1.13596 35.4569 1.13609 13.1667 GPRESSAVG: 813000 5.54719 13.3849 39.7326 11.8366 17.5381 1.87919 33.5598 -0.361702 14.1504 TIMING: 813000 CPU: 2569.42, 0.00314707/step Wall: 2569.42, 0.00314707/step, 3.66022 hours remaining, 232.867188 MB of memory in use. ENERGY: 813000 4036.0630 20570.2335 14491.6471 245.3820 -203858.7476 2893.8156 0.0000 0.0000 51952.4276 -109669.1788 298.5713 -161621.6064 -109314.2337 299.2532 250.5179 277.6815 761152.0842 12.2862 12.4119 PRESSURE: 813200 -114.487 -162.355 55.0233 -162.354 -519.395 -2.2307 55.023 -2.23295 -193.793 GPRESSURE: 813200 -141.773 -222.272 32.5795 -180.228 -410.424 2.29164 165.432 -33.8463 -192.38 PRESSAVG: 813200 20.0002 -22.4363 17.359 -22.4362 -15.3057 35.285 17.359 35.285 12.7709 GPRESSAVG: 813200 20.1201 -23.493 14.3917 -20.7893 -14.3406 33.9129 17.5286 35.5034 11.4133 TIMING: 813200 CPU: 2570.05, 0.00315204/step Wall: 2570.05, 0.00315204/step, 3.66583 hours remaining, 232.867188 MB of memory in use. ENERGY: 813200 4028.6151 20565.3814 14559.9451 240.9016 -202894.8392 2172.9228 0.0000 0.0000 52113.0336 -109214.0395 299.4943 -161327.0732 -108843.7263 299.2989 -275.8916 -248.1924 761548.8599 5.8218 5.7309 PRESSURE: 813400 216.781 112.217 -6.91308 112.217 279.145 -63.802 -6.91458 -63.8022 -54.6553 GPRESSURE: 813400 253.276 71.078 29.4208 76.2168 256.818 -49.0783 -83.1409 -50.8775 17.8703 PRESSAVG: 813400 7.50093 0.758344 18.0798 0.758369 7.01265 3.08425 18.0798 3.08435 -13.1014 GPRESSAVG: 813400 6.76255 3.48127 18.4788 -0.864614 6.34077 3.59235 18.9678 3.28112 -11.8723 TIMING: 813400 CPU: 2570.68, 0.00315256/step Wall: 2570.68, 0.00315256/step, 3.66625 hours remaining, 232.867188 MB of memory in use. ENERGY: 813400 4022.9611 20697.6707 14477.5935 243.8434 -203529.9800 2745.4538 0.0000 0.0000 52175.2700 -109167.1875 299.8520 -161342.4575 -108799.1940 299.8586 147.0901 175.9883 761025.0954 0.4707 0.4103 PRESSURE: 813600 -223.738 66.6427 -60.4088 66.6432 225.328 128.3 -60.4088 128.3 -251.864 GPRESSURE: 813600 -195.624 119.691 -24.2336 121.766 259.434 122.92 -27.3855 93.6511 -224.574 PRESSAVG: 813600 -28.7644 31.2159 -39.5026 31.2159 61.4073 15.8523 -39.5027 15.8523 16.1076 GPRESSAVG: 813600 -27.4809 30.2932 -38.6077 33.2075 59.5274 16.5013 -39.5179 15.0687 17.2047 TIMING: 813600 CPU: 2571.32, 0.00316095/step Wall: 2571.32, 0.00316095/step, 3.67583 hours remaining, 232.867188 MB of memory in use. ENERGY: 813600 3933.4485 20611.7667 14487.4952 244.8217 -203349.7061 2771.4161 0.0000 0.0000 52149.8277 -109150.9302 299.7058 -161300.7578 -108780.0606 299.8873 -83.4244 -53.5879 761159.4089 16.2502 16.4171 PRESSURE: 813800 -258.122 -77.802 -12.8829 -77.8018 -112.18 -66.751 -12.8835 -66.75 -61.7524 GPRESSURE: 813800 -206.501 -125.086 -13.1907 -81.9684 -48.6284 -32.5655 45.3237 -95.9087 -92.4117 PRESSAVG: 813800 -74.4914 -19.4309 -25.9236 -19.4309 106.792 9.40916 -25.9237 9.40924 16.525 GPRESSAVG: 813800 -73.8372 -18.2729 -26.5141 -20.3063 108.421 9.76208 -27.5093 9.20016 14.3662 TIMING: 813800 CPU: 2571.95, 0.00315355/step Wall: 2571.95, 0.00315355/step, 3.66705 hours remaining, 232.867188 MB of memory in use. ENERGY: 813800 4025.3409 20725.2057 14406.7172 230.3273 -203283.0325 2696.7153 0.0000 0.0000 52141.8033 -109056.9228 299.6597 -161198.7261 -108693.0869 300.3331 -144.0181 -115.8471 764194.0846 16.2752 16.3165 PRESSURE: 814000 -7.47136 151.891 -346.231 151.892 -101.663 -210.824 -346.231 -210.825 53.6858 GPRESSURE: 814000 75.3797 224.769 -264.257 109.265 -109.441 -177.738 -333.273 -238.671 59.7044 PRESSAVG: 814000 -29.1244 6.40724 -26.2576 6.40723 12.2022 -17.5649 -26.2575 -17.5649 -11.5982 GPRESSAVG: 814000 -28.1051 5.81931 -25.186 5.46502 11.7193 -16.5612 -26.0227 -18.0906 -12.1988 TIMING: 814000 CPU: 2572.58, 0.00316821/step Wall: 2572.58, 0.00316821/step, 3.68392 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: 814000 4067.5555 20609.6358 14487.8434 243.5253 -203269.5043 2714.5808 0.0000 0.0000 52198.0625 -108948.3009 299.9830 -161146.3635 -108586.8698 300.5052 -18.4828 8.5476 762577.3446 -9.5068 -9.5282 PRESSURE: 814200 110.947 -39.9465 -30.1474 -39.9468 71.0503 246.971 -30.1476 246.971 -133.994 GPRESSURE: 814200 51.9484 7.14679 -16.9006 -46.429 136.871 287.652 -103.705 204.33 -37.4363 PRESSAVG: 814200 9.61813 -12.2781 -85.2859 -12.2781 22.6971 -20.9147 -85.2859 -20.9147 21.0724 GPRESSAVG: 814200 7.43759 -13.5797 -86.6948 -11.0614 23.464 -22.8888 -84.7778 -17.8934 22.8783 TIMING: 814200 CPU: 2573.21, 0.00316022/step Wall: 2573.21, 0.00316022/step, 3.67445 hours remaining, 232.867188 MB of memory in use. ENERGY: 814200 4016.4277 20603.8841 14515.4776 264.3720 -203096.8391 2715.3294 0.0000 0.0000 52195.6253 -108785.7230 299.9690 -160981.3483 -108427.4491 300.2671 16.0013 50.4610 762344.5782 17.7959 17.9266 PRESSURE: 814400 -390.602 -83.5732 131.257 -83.5732 -407.674 -8.38589 131.257 -8.3858 -138.729 GPRESSURE: 814400 -371.296 -144.234 151.455 -120.727 -357.032 41.0523 267.635 -114.961 -134.653 PRESSAVG: 814400 -4.55395 7.85884 -32.9565 7.8588 48.0012 -14.6313 -32.9565 -14.6313 -0.338049 GPRESSAVG: 814400 -4.66267 7.6682 -33.3646 7.65004 48.4149 -13.703 -33.4582 -17.1439 -0.420739 TIMING: 814400 CPU: 2573.85, 0.00317158/step Wall: 2573.85, 0.00317158/step, 3.68749 hours remaining, 232.867188 MB of memory in use. ENERGY: 814400 4033.9887 20669.8476 14503.4761 256.3416 -202905.3187 2492.9698 0.0000 0.0000 52039.9511 -108908.7439 299.0743 -160948.6950 -108548.9706 300.2877 -312.3348 -287.6606 763575.6858 14.3698 14.4438 PRESSURE: 814600 -209.201 -190.322 -149.501 -190.321 -425.852 107.485 -149.502 107.485 -32.2855 GPRESSURE: 814600 -154.677 -143.493 -174.674 -208.985 -371.674 67.7531 -103.786 71.6296 -50.2353 PRESSAVG: 814600 -77.8691 -13.9886 16.2949 -13.9885 76.9017 -41.532 16.2948 -41.532 -7.83511 GPRESSAVG: 814600 -76.5885 -11.2058 18.2369 -15.7885 76.2613 -42.2072 16.175 -41.7279 -7.94786 TIMING: 814600 CPU: 2574.48, 0.00316795/step Wall: 2574.48, 0.00316795/step, 3.6831 hours remaining, 232.867188 MB of memory in use. ENERGY: 814600 3978.6473 20696.7552 14480.0077 245.7613 -203071.8258 2540.2656 0.0000 0.0000 51845.9290 -109284.4597 297.9593 -161130.3887 -108920.5455 299.3709 -222.4463 -192.1953 762385.5540 -2.9342 -2.7583 PRESSURE: 814800 -146.238 -24.8393 216.502 -24.8393 -6.79471 138.797 216.502 138.796 -410.028 GPRESSURE: 814800 -153.877 -44.5973 133.706 -15.3311 38.3814 117.859 128.333 284.094 -350.664 PRESSAVG: 814800 -14.945 -95.314 -17.8009 -95.314 31.7483 -19.892 -17.801 -19.892 20.4544 GPRESSAVG: 814800 -16.5754 -96.9778 -19.2196 -94.7983 33.1001 -21.8016 -19.0171 -15.7353 20.3817 TIMING: 814800 CPU: 2575.12, 0.00317938/step Wall: 2575.12, 0.00317938/step, 3.6962 hours remaining, 232.867188 MB of memory in use. ENERGY: 814800 4018.3316 20578.8796 14415.2543 256.9891 -203171.6113 2525.7769 0.0000 0.0000 52043.2528 -109333.1269 299.0933 -161376.3797 -108975.3351 299.1265 -187.6868 -155.3867 760606.4982 12.4192 12.3021 PRESSURE: 815000 -139.003 -154.626 -7.20123 -154.627 -220.369 154.89 -7.20064 154.889 -229.143 GPRESSURE: 815000 -121.921 -96.5437 -18.1458 -129.107 -252.59 229.272 -139.564 135.126 -144.767 PRESSAVG: 815000 40.5804 -15.5419 32.6533 -15.5419 15.3058 -5.98128 32.6534 -5.98139 -0.206431 GPRESSAVG: 815000 41.6463 -13.6905 31.9099 -16.7881 14.0286 -4.16334 34.4663 -9.0372 0.267192 TIMING: 815000 CPU: 2575.75, 0.00316819/step Wall: 2575.75, 0.00316819/step, 3.68302 hours remaining, 232.867188 MB of memory in use. ENERGY: 815000 4036.1413 20466.1435 14464.7557 241.9758 -203361.4766 2677.7931 0.0000 0.0000 51997.5372 -109477.1300 298.8306 -161474.6673 -109113.3247 299.0910 -196.1717 -173.0924 762647.3794 18.5599 18.6474 PRESSURE: 815200 -40.9924 -178.603 61.6143 -178.604 -287.951 -121.698 61.614 -121.697 -262.632 GPRESSURE: 815200 -44.7753 -66.9654 -19.3009 -79.1379 -333.689 -89.5155 91.2134 -200.141 -153.869 PRESSAVG: 815200 -24.6796 13.2522 6.11614 13.2522 19.948 54.3702 6.11608 54.3702 4.00748 GPRESSAVG: 815200 -25.379 12.0946 6.90547 16.4702 20.1903 54.1097 4.4695 56.1274 4.40572 TIMING: 815200 CPU: 2576.38, 0.00316262/step Wall: 2576.38, 0.00316262/step, 3.67638 hours remaining, 232.867188 MB of memory in use. ENERGY: 815200 4034.4816 20412.0462 14481.8247 231.9139 -203367.2377 2555.3874 0.0000 0.0000 52262.8056 -109388.7783 300.3551 -161651.5839 -109023.9936 298.8203 -197.1917 -177.4442 761809.6576 -0.2414 -0.2610 PRESSURE: 815400 -181.881 -29.5786 189.576 -29.5779 -582.589 -48.9367 189.575 -48.9368 -246.783 GPRESSURE: 815400 -135.247 -82.2249 162.958 -24.154 -466.649 -79.2439 369.472 -90.4126 -336.356 PRESSAVG: 815400 -2.44845 50.7051 -21.9708 50.7052 18.0939 -27.8264 -21.9707 -27.8263 -1.2767 GPRESSAVG: 815400 -1.7736 52.423 -22.661 49.8606 19.477 -26.9157 -20.8489 -29.4339 -2.75567 TIMING: 815400 CPU: 2577.01, 0.00315046/step Wall: 2577.01, 0.00315046/step, 3.66207 hours remaining, 232.867188 MB of memory in use. ENERGY: 815400 4005.2642 20531.2603 14423.5160 237.6284 -202866.1462 2433.6383 0.0000 0.0000 51985.3098 -109249.5292 298.7603 -161234.8390 -108897.0094 299.2652 -337.0844 -312.7507 762398.5554 4.7896 4.9826 PRESSURE: 815600 -266.89 38.2887 -66.5893 38.2888 182.626 -227.986 -66.5893 -227.987 -307.398 GPRESSURE: 815600 -278.282 -109.781 -63.2205 17.6403 227.313 -236.967 -112.884 -109.826 -241.819 PRESSAVG: 815600 -40.9152 -62.0682 42.833 -62.0682 36.8335 -10.6975 42.8331 -10.6975 -7.98969 GPRESSAVG: 815600 -41.453 -64.9463 43.8853 -62.9124 37.2247 -11.6091 43.5263 -7.18186 -7.33416 TIMING: 815600 CPU: 2577.64, 0.00315868/step Wall: 2577.64, 0.00315868/step, 3.67144 hours remaining, 232.867188 MB of memory in use. ENERGY: 815600 3984.6623 20357.5522 14488.8079 257.4317 -202847.3900 2362.4999 0.0000 0.0000 52109.8286 -109286.6074 299.4759 -161396.4360 -108928.7777 299.3165 -130.5539 -97.5957 762897.0380 -4.0238 -3.8541 PRESSURE: 815800 98.8176 187.119 215.8 187.119 -236.481 -83.5354 215.801 -83.5357 -229.061 GPRESSURE: 815800 105.351 110.446 80.1535 14.9643 -243.435 -82.439 195.777 55.3031 -175.722 PRESSAVG: 815800 -12.06 4.33168 -7.06747 4.3316 -19.7805 -69.8928 -7.06745 -69.8929 15.7416 GPRESSAVG: 815800 -11.7075 2.5308 -6.72836 3.30767 -20.8345 -70.9244 -7.69596 -71.6394 15.9552 TIMING: 815800 CPU: 2578.28, 0.00316782/step Wall: 2578.28, 0.00316782/step, 3.68189 hours remaining, 232.867188 MB of memory in use. ENERGY: 815800 4012.6657 20522.2560 14479.9871 225.6930 -203145.6259 2596.3265 0.0000 0.0000 51961.8463 -109346.8514 298.6254 -161308.6977 -108992.1231 299.2512 -122.2415 -104.6018 761973.7403 -5.3663 -5.5289 PRESSURE: 816000 -111.677 -26.0045 -157.789 -26.0055 -235.942 -91.6971 -157.789 -91.6974 -315.233 GPRESSURE: 816000 -75.9956 88.335 -95.5373 91.8081 -268.552 -72.0526 -121.246 -115.912 -246.578 PRESSAVG: 816000 -4.04476 -22.4087 45.8083 -22.4088 3.92075 -50.043 45.8083 -50.0431 3.38353 GPRESSAVG: 816000 -4.76719 -19.2674 46.4075 -21.3604 3.9734 -48.6512 46.0755 -50.9661 3.68983 TIMING: 816000 CPU: 2578.91, 0.00315616/step Wall: 2578.91, 0.00315616/step, 3.66816 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: 816000 4005.5853 20558.1008 14449.3584 251.1943 -203337.1693 2708.5444 0.0000 0.0000 52262.9585 -109101.4275 300.3559 -161364.3860 -108741.4959 299.3347 -220.9506 -197.0418 763169.2241 1.0865 0.9653 PRESSURE: 816200 -132.6 -222.007 29.8746 -222.007 -76.8646 37.378 29.8744 37.378 -220.34 GPRESSURE: 816200 -47.3731 -166.557 27.2359 -128.663 -145.727 136.782 128.732 -34.7154 -171.972 PRESSAVG: 816200 -11.9077 15.2571 15.2377 15.2571 -4.05673 -45.272 15.2377 -45.272 7.63657 GPRESSAVG: 816200 -12.0679 13.2095 13.5966 16.1991 -4.93593 -45.9619 15.1934 -46.3827 8.40285 TIMING: 816200 CPU: 2579.54, 0.00313647/step Wall: 2579.54, 0.00313647/step, 3.6451 hours remaining, 232.867188 MB of memory in use. ENERGY: 816200 3901.9928 20547.1098 14431.4233 256.1125 -203442.9086 2804.5429 0.0000 0.0000 52329.3600 -109172.3674 300.7376 -161501.7274 -108806.8653 299.8986 -143.2682 -121.6908 763818.7410 -2.7759 -2.8670 LDB: ============= START OF LOAD BALANCING ============== 2592.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2592.07 LDB: =============== DONE WITH MIGRATION ================ 2592.07 LDB: ============= START OF LOAD BALANCING ============== 2592.39 LDB: Largest compute 7070 load 0.030750 is 15.7% of average load 0.195333 LDB: Average compute 0.004389 is 2.2% of average load 0.195333 LDB: TIME 2592.39 LOAD: AVG 0.195333 MAX 0.213243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 2592.39 LOAD: AVG 0.195333 MAX 0.213243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 2592.39 LOAD: AVG 0.195333 MAX 0.213243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 2592.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2592.4 PRESSURE: 816400 -155.595 -69.6871 -70.9206 -69.6867 -28.8823 69.4709 -70.9216 69.4714 281.579 GPRESSURE: 816400 -179.905 61.818 -53.3497 -199.643 -30.6536 38.8393 -217.057 -79.2627 392.113 PRESSAVG: 816400 31.4493 -28.5572 -15.9798 -28.5571 -31.6329 -28.7637 -15.9798 -28.7638 -22.2508 GPRESSAVG: 816400 30.9534 -27.1321 -14.193 -31.1418 -30.7924 -26.7398 -16.6351 -29.7471 -22.1654 TIMING: 816400 CPU: 2580.18, 0.00322704/step Wall: 2580.18, 0.00322704/step, 3.75018 hours remaining, 232.355469 MB of memory in use. ENERGY: 816400 3999.0811 20422.2232 14435.3799 250.9945 -203039.6972 2693.5566 0.0000 0.0000 52070.9658 -109167.4960 299.2526 -161238.4618 -108803.1647 299.3406 32.3673 60.5182 762941.1733 -7.4781 -7.3348 PRESSURE: 816600 249.453 -112.174 -66.679 -112.174 102.082 116.614 -66.679 116.614 44.3259 GPRESSURE: 816600 343.223 15.0848 -8.38042 -131.62 68.7497 101.413 -151.859 40.0605 79.6731 PRESSAVG: 816600 48.7497 -28.6862 -40.824 -28.6862 -19.1048 -18.2674 -40.824 -18.2675 -14.2633 GPRESSAVG: 816600 49.2784 -28.4857 -42.4366 -25.9302 -18.4068 -19.4192 -41.1724 -16.554 -15.578 TIMING: 816600 CPU: 2580.82, 0.00318102/step Wall: 2580.82, 0.00318102/step, 3.69652 hours remaining, 232.671875 MB of memory in use. ENERGY: 816600 3965.5011 20482.3528 14487.5793 231.8501 -203256.4779 2757.8188 0.0000 0.0000 51914.0685 -109417.3072 298.3509 -161331.3757 -109069.1448 298.9008 131.9539 163.8820 759588.3440 5.1272 5.0979 PRESSURE: 816800 139.16 -65.228 -183.584 -65.2283 -73.8347 -146.548 -183.585 -146.547 173.917 GPRESSURE: 816800 84.8319 -120.839 -223.842 -35.5588 72.0415 -131.002 -189.661 -85.2018 189.887 PRESSAVG: 816800 47.6959 -23.5256 -47.5048 -23.5257 -28.43 -24.6202 -47.5048 -24.6202 -16.2788 GPRESSAVG: 816800 47.5611 -24.5273 -47.9873 -24.4417 -28.3169 -26.4349 -48.3772 -23.7178 -16.5659 TIMING: 816800 CPU: 2581.46, 0.00319229/step Wall: 2581.46, 0.00319229/step, 3.70945 hours remaining, 232.671875 MB of memory in use. ENERGY: 816800 3946.6523 20430.0055 14495.6908 231.9185 -203052.5832 2394.3305 0.0000 0.0000 52270.0920 -109283.8936 300.3969 -161553.9856 -108909.6488 298.8036 79.7473 115.5867 759563.7930 0.9957 0.8928 PRESSURE: 817000 -175.351 -34.6711 -42.5229 -34.6711 -37.7353 29.9207 -42.5223 29.9203 -169.314 GPRESSURE: 817000 -192.667 -86.9061 -67.5567 -29.2795 49.7644 43.3959 47.638 -21.1408 -152.717 PRESSAVG: 817000 -10.1406 45.8193 -27.9749 45.8194 10.4007 -67.3517 -27.9749 -67.3517 -13.6871 GPRESSAVG: 817000 -11.2358 44.8079 -27.5366 46.882 10.6214 -64.6246 -25.3099 -68.2433 -12.8891 TIMING: 817000 CPU: 2582.09, 0.00316066/step Wall: 2582.09, 0.00316066/step, 3.67251 hours remaining, 232.671875 MB of memory in use. ENERGY: 817000 3928.1593 20674.3757 14461.0809 229.8227 -203418.0346 2607.5296 0.0000 0.0000 52165.7852 -109351.2813 299.7975 -161517.0665 -108986.1270 299.1015 -127.4668 -98.5400 762207.7084 -4.4756 -4.5012 PRESSURE: 817200 -295.644 -7.16968 -66.3525 -7.16954 -147.446 150.367 -66.352 150.367 -370.112 GPRESSURE: 817200 -201.903 -78.1212 -33.1599 74.9965 -146.444 89.8672 -103.277 79.6872 -390.698 PRESSAVG: 817200 -25.2339 36.8925 -3.38138 36.8925 -4.12311 21.7103 -3.38135 21.7103 -11.8436 GPRESSAVG: 817200 -24.7311 38.4656 -3.46571 36.0514 -4.46179 19.1964 -5.64401 22.8435 -12.0454 TIMING: 817200 CPU: 2582.72, 0.00314774/step Wall: 2582.72, 0.00314774/step, 3.65732 hours remaining, 232.671875 MB of memory in use. ENERGY: 817200 4004.0635 20633.6395 14468.4845 259.9381 -203412.8447 2712.3173 0.0000 0.0000 52142.1836 -109192.2182 299.6618 -161334.4018 -108822.7458 298.9984 -271.0675 -246.3484 762613.3584 -13.7336 -13.7461 PRESSURE: 817400 -392.948 51.5614 222.211 51.5607 47.9538 -189.262 222.211 -189.262 -468.754 GPRESSURE: 817400 -320.923 -24.9267 150.783 58.0263 3.3014 -151.614 247.012 -180.426 -427.207 PRESSAVG: 817400 19.6138 -12.8699 26.186 -12.87 -17.4579 -4.76426 26.1859 -4.7643 9.29414 GPRESSAVG: 817400 20.6508 -13.5878 26.7399 -12.4699 -18.1121 -4.40694 26.2114 -4.13769 8.68374 TIMING: 817400 CPU: 2583.35, 0.0031489/step Wall: 2583.35, 0.0031489/step, 3.6585 hours remaining, 232.683594 MB of memory in use. ENERGY: 817400 4040.0698 20613.1041 14461.3358 259.8353 -203364.2078 2604.1063 0.0000 0.0000 51975.8069 -109409.9496 298.7057 -161385.7565 -109044.1074 299.3479 -271.2494 -248.2761 762928.9333 3.8167 3.7408 PRESSURE: 817600 -150.469 -149.178 97.9657 -149.178 -340.241 186.877 97.9653 186.878 -51.6707 GPRESSURE: 817600 -136.119 -139.679 104.904 -108.783 -219.711 124.52 217.303 130.716 -101.396 PRESSAVG: 817600 19.2175 -18.6121 10.4499 -18.6121 -9.44409 16.1578 10.4499 16.1578 -8.00069 GPRESSAVG: 817600 18.8411 -16.5146 10.5208 -21.7677 -7.96913 15.8751 11.8345 15.7476 -9.24582 TIMING: 817600 CPU: 2583.98, 0.00315809/step Wall: 2583.98, 0.00315809/step, 3.669 hours remaining, 232.683594 MB of memory in use. ENERGY: 817600 3974.6296 20457.8692 14446.9559 239.4193 -203677.8376 2773.1311 0.0000 0.0000 52007.1653 -109778.6673 298.8859 -161785.8325 -109426.4191 298.8647 -180.7934 -152.4087 762741.0110 0.5909 0.5420 PRESSURE: 817800 -97.1656 62.6801 -248.983 62.6797 -49.6833 87.8903 -248.983 87.8896 168.713 GPRESSURE: 817800 -54.8604 108.804 -163.828 59.2215 -34.9353 89.496 -250.478 76.8643 217.107 PRESSAVG: 817800 17.7671 -35.2562 12.4286 -35.2563 -29.6484 -1.08057 12.4286 -1.08055 -7.92971 GPRESSAVG: 817800 16.9543 -35.2155 11.438 -33.0428 -30.1042 -0.364583 13.8162 -1.69949 -6.50749 TIMING: 817800 CPU: 2584.61, 0.0031741/step Wall: 2584.61, 0.0031741/step, 3.68742 hours remaining, 232.683594 MB of memory in use. ENERGY: 817800 3930.2248 20527.2920 14447.5782 243.9561 -203406.2270 2762.7848 0.0000 0.0000 51954.1577 -109540.2334 298.5813 -161494.3911 -109186.6437 298.4819 7.2882 42.4373 763676.5012 -6.6036 -6.5525 PRESSURE: 818000 -95.674 137.424 13.344 137.425 251.506 6.69439 13.3445 6.69548 208.278 GPRESSURE: 818000 10.0022 148.352 62.3391 135.053 278.525 57.6533 15.4485 -84.8526 167.376 PRESSAVG: 818000 19.512 -17.6698 11.5101 -17.6698 -24.8341 18.8546 11.5101 18.8546 26.196 GPRESSAVG: 818000 21.5092 -19.9173 12.5942 -17.4562 -27.1315 19.0919 10.1907 18.9767 26.0968 TIMING: 818000 CPU: 2585.25, 0.0031686/step Wall: 2585.25, 0.0031686/step, 3.68086 hours remaining, 232.683594 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: 818000 4033.5141 20452.2448 14478.7723 245.8201 -203314.3211 2677.8704 0.0000 0.0000 51902.1478 -109523.9516 298.2824 -161426.0994 -109177.5903 298.6848 121.3701 151.9680 761600.9383 6.9580 6.8248 PRESSURE: 818200 -259.492 -143.562 -58.8701 -143.561 186.58 -137.274 -58.8696 -137.275 141.678 GPRESSURE: 818200 -170.233 -193.981 -181.843 -224.552 187.005 -127.967 31.4535 -9.74345 143.626 PRESSAVG: 818200 8.93656 -19.9295 -11.3709 -19.9294 -0.205316 -7.84053 -11.3709 -7.84061 -10.9292 GPRESSAVG: 818200 7.2743 -20.5206 -12.0875 -19.7562 0.381476 -7.90433 -10.9919 -6.96022 -10.8019 TIMING: 818200 CPU: 2585.88, 0.0031652/step Wall: 2585.88, 0.0031652/step, 3.67673 hours remaining, 232.683594 MB of memory in use. ENERGY: 818200 4020.5622 20599.0032 14427.3717 247.2825 -203043.7787 2429.7640 0.0000 0.0000 51859.3118 -109460.4833 298.0362 -161319.7951 -109108.6121 298.8063 22.9219 53.4661 762914.7535 -0.7326 -1.0487 PRESSURE: 818400 141.23 -52.3006 128.267 -52.3001 15.0166 184.755 128.267 184.756 337.395 GPRESSURE: 818400 211.161 -7.20414 108.091 -45.6929 43.4713 98.8345 129.225 110.671 323.147 PRESSAVG: 818400 61.0609 22.3821 17.2747 22.3822 -20.1152 -47.2609 17.2747 -47.2609 -10.1567 GPRESSAVG: 818400 60.1415 23.4067 16.7653 20.7154 -19.1213 -46.1185 19.3433 -48.1707 -10.0319 TIMING: 818400 CPU: 2586.52, 0.00317212/step Wall: 2586.52, 0.00317212/step, 3.6846 hours remaining, 232.683594 MB of memory in use. ENERGY: 818400 3971.3247 20540.9686 14477.7194 248.5190 -203309.6760 2594.0237 0.0000 0.0000 51795.9000 -109681.2206 297.6717 -161477.1206 -109322.8328 299.1014 164.5473 192.5930 760916.6787 10.2630 10.3294 PRESSURE: 818600 -41.9092 -33.8633 -178.307 -33.8636 -371.733 -355.689 -178.307 -355.689 232.07 GPRESSURE: 818600 -65.92 -23.3089 -169.318 -26.374 -258.442 -252.734 -92.9573 -420.211 229.507 PRESSAVG: 818600 24.631 21.0587 24.319 21.0586 -5.31028 -0.857432 24.319 -0.857431 -0.154144 GPRESSAVG: 818600 25.0286 20.2294 24.7728 22.109 -5.64074 -1.74733 22.7743 -2.81121 0.174441 TIMING: 818600 CPU: 2587.15, 0.0031693/step Wall: 2587.15, 0.0031693/step, 3.68114 hours remaining, 232.683594 MB of memory in use. ENERGY: 818600 3969.0816 20423.9275 14465.4920 230.0650 -203171.9042 2484.0066 0.0000 0.0000 52054.1049 -109545.2266 299.1557 -161599.3315 -109177.8728 298.7969 -60.5243 -31.6183 761891.4173 6.3889 6.5207 PRESSURE: 818800 -48.6943 -118.387 99.7752 -118.387 -109.458 -98.2278 99.7753 -98.2278 342.032 GPRESSURE: 818800 0.703303 -136.983 188.528 -38.3539 -136.781 -109.464 -12.7361 -113.347 408.653 PRESSAVG: 818800 -19.9047 -52.4204 36.5556 -52.4204 47.0788 -36.5309 36.5557 -36.5309 19.2509 GPRESSAVG: 818800 -19.2353 -52.8232 37.7717 -51.8916 47.6828 -35.8574 34.6012 -36.7885 17.8991 TIMING: 818800 CPU: 2587.78, 0.00315683/step Wall: 2587.78, 0.00315683/step, 3.66648 hours remaining, 232.683594 MB of memory in use. ENERGY: 818800 4064.6574 20516.7637 14384.8350 245.5413 -203872.1025 2941.6991 0.0000 0.0000 52103.8032 -109614.8028 299.4413 -161718.6060 -109257.3524 298.4206 61.2931 90.8583 761460.0296 15.4750 15.4489 PRESSURE: 819000 -111.135 121.24 -61.9861 121.241 249.938 -114.506 -61.9865 -114.506 -506.019 GPRESSURE: 819000 -129.572 117.041 -68.5177 153.939 268.654 -187.612 -60.0832 -23.4522 -422.217 PRESSAVG: 819000 -23.7593 -2.36508 24.3317 -2.36505 4.66432 -74.0285 24.3317 -74.0285 2.51493 GPRESSAVG: 819000 -23.8849 -2.06505 25.1279 -3.12411 3.81804 -74.8372 27.4635 -71.7899 3.51183 TIMING: 819000 CPU: 2588.42, 0.00318959/step Wall: 2588.42, 0.00318959/step, 3.70436 hours remaining, 232.683594 MB of memory in use. ENERGY: 819000 4014.2526 20453.0536 14443.7898 237.2011 -203413.2508 2634.4464 0.0000 0.0000 52119.5483 -109510.9590 299.5318 -161630.5073 -109152.8328 299.2384 -122.4056 -94.3785 762546.0655 -5.5267 -5.5183 PRESSURE: 819200 102.046 -3.8882 -54.1903 -3.88776 88.7886 73.8538 -54.1903 73.8546 -74.7383 GPRESSURE: 819200 81.2411 4.82307 -100.485 48.2062 100.917 80.8091 -219.723 29.2377 9.4 PRESSAVG: 819200 -51.0959 51.3058 32.3912 51.3059 43.4404 -17.4892 32.3912 -17.4893 -5.62095 GPRESSAVG: 819200 -51.3754 52.37 31.4041 50.5546 43.511 -19.4906 30.4453 -17.7852 -5.39961 TIMING: 819200 CPU: 2589.05, 0.00315087/step Wall: 2589.05, 0.00315087/step, 3.65921 hours remaining, 232.683594 MB of memory in use. ENERGY: 819200 4011.9490 20400.0239 14522.3395 220.6873 -203345.0081 2636.9765 0.0000 0.0000 52117.0920 -109435.9400 299.5176 -161553.0320 -109073.2100 299.5712 38.6987 63.8526 761922.2783 -4.4255 -4.4213 PRESSURE: 819400 -2.38705 124.285 223.647 124.285 66.9603 -42.3263 223.647 -42.3267 -134.412 GPRESSURE: 819400 34.2755 73.082 141.186 143.65 133.84 -23.7682 146.68 -174.552 -156.267 PRESSAVG: 819400 -62.9259 42.5171 5.59729 42.5171 39.6421 -1.05989 5.59728 -1.0599 -2.30886 GPRESSAVG: 819400 -63.3144 44.0917 6.29946 43.0749 40.0095 0.784998 4.70049 -2.46796 -2.62065 TIMING: 819400 CPU: 2589.68, 0.00315347/step Wall: 2589.68, 0.00315347/step, 3.66205 hours remaining, 232.683594 MB of memory in use. ENERGY: 819400 3960.8294 20415.3965 14442.1665 250.2236 -203228.6183 2689.7106 0.0000 0.0000 52056.8217 -109413.4700 299.1713 -161470.2917 -109044.9898 299.3332 -23.2797 3.9495 760770.0176 -8.5309 -8.6419 PRESSURE: 819600 -255.134 31.3688 -182.677 31.3683 192.698 -215.399 -182.677 -215.399 -168.522 GPRESSURE: 819600 -182.938 89.2217 -198.61 95.4198 202.916 -58.4929 -241.097 -224.75 -163.193 PRESSAVG: 819600 -97.603 21.2752 -14.6756 21.2752 57.0532 -36.0374 -14.6756 -36.0372 11.4772 GPRESSAVG: 819600 -97.8493 19.7879 -16.4473 21.4269 57.0848 -36.6851 -11.6904 -33.2902 11.2686 TIMING: 819600 CPU: 2590.31, 0.00316176/step Wall: 2590.31, 0.00316176/step, 3.67151 hours remaining, 232.683594 MB of memory in use. ENERGY: 819600 4008.3909 20570.7722 14382.2136 237.0653 -203171.8568 2548.6682 0.0000 0.0000 52098.1710 -109326.5757 299.4089 -161424.7467 -108965.6316 299.4690 -76.9862 -47.7384 763184.0980 -9.6909 -9.8320 PRESSURE: 819800 -13.7424 310.831 -28.981 310.831 -80.5089 43.0377 -28.9812 43.0384 47.4782 GPRESSURE: 819800 -52.7919 298.368 21.37 295.052 53.8304 150.751 23.6215 -80.5567 45.6683 PRESSAVG: 819800 28.1259 63.5799 12.5217 63.5799 12.9483 -10.9776 12.5218 -10.9777 -7.14384 GPRESSAVG: 819800 28.5501 63.1343 12.3902 63.1467 12.2152 -10.9964 12.269 -14.2476 -6.63352 TIMING: 819800 CPU: 2590.94, 0.00315679/step Wall: 2590.94, 0.00315679/step, 3.66556 hours remaining, 232.683594 MB of memory in use. ENERGY: 819800 3984.1994 20631.1908 14438.2375 249.5608 -203108.5189 2564.7216 0.0000 0.0000 51904.9026 -109335.7062 298.2982 -161240.6089 -108966.4024 300.0127 -15.5911 15.5689 762763.4446 11.3101 11.3773 PRESSURE: 820000 -139.582 -57.1817 -127.318 -57.1825 -12.4385 -154.789 -127.317 -154.789 -154.702 GPRESSURE: 820000 -108.934 26.4102 -188.867 50.2122 -39.0173 -139.722 -123.087 -246.348 -75.7967 PRESSAVG: 820000 -25.78 28.5155 -44.5316 28.5155 57.9132 22.7919 -44.5316 22.7918 22.591 GPRESSAVG: 820000 -25.7538 30.3212 -43.3903 27.6652 58.4305 22.5621 -47.05 24.8307 22.2022 TIMING: 820000 CPU: 2591.58, 0.00317368/step Wall: 2591.58, 0.00317368/step, 3.685 hours remaining, 232.683594 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: 820000 4128.5291 20399.2239 14404.1416 242.6520 -203402.0383 2690.5509 0.0000 0.0000 52104.1093 -109432.8315 299.4430 -161536.9409 -109076.3283 299.0043 -102.2408 -74.5826 761754.5829 18.2414 18.2930 PRESSURE: 820200 91.6306 -229.322 -0.0678876 -229.321 403.6 152.829 -0.0679867 152.829 233.317 GPRESSURE: 820200 151.535 -148.197 0.386026 -228.97 492.586 221.214 -24.5782 63.2151 151.357 PRESSAVG: 820200 -1.87288 32.3169 63.4439 32.3169 68.2678 8.08934 63.4439 8.08944 8.85955 GPRESSAVG: 820200 -1.63342 29.8426 63.2657 35.0875 68.7312 6.79968 64.3312 9.34008 8.79681 TIMING: 820200 CPU: 2592.21, 0.00317137/step Wall: 2592.21, 0.00317137/step, 3.68214 hours remaining, 232.683594 MB of memory in use. ENERGY: 820200 3965.5046 20593.7264 14466.6110 249.9305 -203456.7681 2817.8597 0.0000 0.0000 52129.8698 -109233.2663 299.5911 -161363.1360 -108877.6632 299.6213 242.8492 265.1592 760797.1547 25.0848 25.2982 LDB: ============= START OF LOAD BALANCING ============== 2604.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2604.75 LDB: =============== DONE WITH MIGRATION ================ 2604.75 LDB: ============= START OF LOAD BALANCING ============== 2605.07 LDB: Largest compute 7070 load 0.031429 is 16.1% of average load 0.195261 LDB: Average compute 0.004392 is 2.2% of average load 0.195261 LDB: TIME 2605.07 LOAD: AVG 0.195261 MAX 0.216127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.867 MB LDB: TIME 2605.07 LOAD: AVG 0.195261 MAX 0.216127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.07 MB LDB: TIME 2605.07 LOAD: AVG 0.195261 MAX 0.216127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.07 MB LDB: ============== END OF LOAD BALANCING =============== 2605.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2605.08 PRESSURE: 820400 116.447 -2.63524 -128.282 -2.63495 97.9995 -182.449 -128.281 -182.449 243.465 GPRESSURE: 820400 76.4807 -4.60634 -172.678 -18.2137 165.413 -175.991 -45.6108 -83.3767 290.569 PRESSAVG: 820400 -20.6779 13.551 61.7552 13.551 59.6415 59.2145 61.7552 59.2145 2.66021 GPRESSAVG: 820400 -21.2271 14.3731 59.3599 12.0365 59.9594 61.7709 62.1498 57.2087 2.5663 TIMING: 820400 CPU: 2592.86, 0.00323878/step Wall: 2592.86, 0.00323878/step, 3.76023 hours remaining, 233.433594 MB of memory in use. ENERGY: 820400 3991.2475 20542.6509 14443.5742 248.1366 -203293.2661 2733.6920 0.0000 0.0000 52058.5367 -109275.4281 299.1811 -161333.9648 -108906.1857 299.5047 152.6370 177.4874 762007.2683 13.8746 13.7662 PRESSURE: 820600 -18.5668 -15.8612 26.4022 -15.8618 -292.449 92.9302 26.4022 92.9296 442.426 GPRESSURE: 820600 65.8255 1.75817 7.35847 -84.238 -273.358 60.7087 65.6353 94.3006 440.824 PRESSAVG: 820600 -56.9645 -28.4553 13.2227 -28.4553 41.6386 12.437 13.2227 12.437 15.301 GPRESSAVG: 820600 -56.3703 -30.7491 14.9236 -29.0112 40.4618 12.846 12.5869 13.0351 16.3825 TIMING: 820600 CPU: 2593.49, 0.00316007/step Wall: 2593.49, 0.00316007/step, 3.66867 hours remaining, 233.761719 MB of memory in use. ENERGY: 820600 3981.5283 20669.9032 14475.0175 278.2975 -203579.1316 2724.6891 0.0000 0.0000 52173.0525 -109276.6435 299.8392 -161449.6959 -108923.8754 299.8592 43.8036 77.7638 761149.7100 -0.0083 0.1580 PRESSURE: 820800 -165.098 116.615 118.777 116.615 140.485 35.4569 118.777 35.4564 116.288 GPRESSURE: 820800 -107.757 129.463 129.411 147.307 160.205 -18.4808 58.6409 42.8283 126.273 PRESSAVG: 820800 44.214 -49.4608 56.9319 -49.4608 -27.9085 56.0912 56.9319 56.0911 18.3623 GPRESSAVG: 820800 44.9714 -47.3258 56.9479 -49.5999 -26.8336 55.5186 56.7114 56.4602 16.9144 TIMING: 820800 CPU: 2594.12, 0.00313366/step Wall: 2594.12, 0.00313366/step, 3.63783 hours remaining, 233.761719 MB of memory in use. ENERGY: 820800 3943.9054 20483.3613 14452.1523 246.5336 -203438.7787 2838.1775 0.0000 0.0000 52173.0101 -109301.6387 299.8390 -161474.6487 -108934.3682 299.4943 30.5584 59.5736 760600.4159 11.5559 11.6841 PRESSURE: 821000 -523.607 -122.544 -89.6782 -122.544 -261.548 77.236 -89.6777 77.2351 -535.881 GPRESSURE: 821000 -550.085 -156.641 -138.775 -63.2423 -160.251 79.858 -31.9687 62.2447 -529.194 PRESSAVG: 821000 10.0695 -4.34976 -10.5484 -4.34975 4.93441 19.0904 -10.5483 19.0905 5.69015 GPRESSAVG: 821000 9.34618 -4.77845 -11.0212 -3.53845 4.61668 18.2078 -9.58207 19.2266 6.31007 TIMING: 821000 CPU: 2594.75, 0.00314706/step Wall: 2594.75, 0.00314706/step, 3.65321 hours remaining, 233.988281 MB of memory in use. ENERGY: 821000 4058.4291 20620.5699 14441.1987 243.9493 -202841.4401 2238.0052 0.0000 0.0000 51984.5944 -109254.6935 298.7562 -161239.2879 -108889.2384 299.2372 -440.3456 -413.1766 762085.1102 6.8980 6.7576 PRESSURE: 821200 -123.514 245.626 224.746 245.626 220.229 -76.8603 224.746 -76.8611 -111.122 GPRESSURE: 821200 -111.45 213.662 101.915 189.518 259.448 -87.1294 165.583 -142.676 -77.6595 PRESSAVG: 821200 -41.8172 24.2126 -4.03897 24.2126 43.1995 40.7776 -4.03899 40.7775 24.3705 GPRESSAVG: 821200 -42.3322 23.9037 -4.39588 21.5402 42.9467 41.0816 -5.13738 41.7101 25.6034 TIMING: 821200 CPU: 2595.38, 0.00314024/step Wall: 2595.38, 0.00314024/step, 3.64512 hours remaining, 233.988281 MB of memory in use. ENERGY: 821200 4029.5089 20661.6233 14442.4559 240.6125 -203474.4881 2860.6505 0.0000 0.0000 52184.1604 -109055.4766 299.9031 -161239.6370 -108695.0972 299.9466 -4.8024 23.4461 762163.1395 8.5843 8.7393 PRESSURE: 821400 67.3711 97.7133 -255.755 97.7136 222.494 -366.777 -255.755 -366.777 -275.545 GPRESSURE: 821400 121.516 47.919 -173.588 80.6011 252.018 -314.944 -180.163 -316.37 -269.543 PRESSAVG: 821400 -46.3482 4.06708 -7.46819 4.06713 58.8843 -40.917 -7.46818 -40.917 10.9837 GPRESSAVG: 821400 -45.4843 3.3612 -6.1903 6.39061 60.288 -40.7222 -5.76851 -43.0805 8.82147 TIMING: 821400 CPU: 2596, 0.00313501/step Wall: 2596, 0.00313501/step, 3.63888 hours remaining, 233.988281 MB of memory in use. ENERGY: 821400 4038.7165 20598.2024 14471.9419 224.7222 -203420.7294 2834.6034 0.0000 0.0000 52205.6237 -109046.9192 300.0264 -161252.5430 -108680.6888 300.6076 4.7733 34.6635 761193.2252 7.8399 7.8750 PRESSURE: 821600 15.4012 -66.7438 31.3281 -66.7438 172.007 -126.532 31.3277 -126.531 338.768 GPRESSURE: 821600 200.065 -82.5947 57.0523 -89.7375 123.496 -124.635 204.422 -89.1663 261.354 PRESSAVG: 821600 -58.6217 -20.5345 -18.7767 -20.5344 44.533 -19.6353 -18.7768 -19.6352 6.66404 GPRESSAVG: 821600 -57.3211 -18.6809 -19.6638 -19.7066 42.7915 -19.0132 -18.2485 -18.0044 6.73192 TIMING: 821600 CPU: 2596.63, 0.0031339/step Wall: 2596.63, 0.0031339/step, 3.63742 hours remaining, 233.988281 MB of memory in use. ENERGY: 821600 3988.6566 20525.6411 14525.9034 236.5894 -202822.3589 2330.1971 0.0000 0.0000 52145.3397 -109070.0317 299.6800 -161215.3714 -108706.3904 299.8031 175.3920 194.9718 760991.8704 -2.4749 -2.5992 PRESSURE: 821800 -97.9315 -253.384 186.203 -253.383 -44.0305 26.8554 186.203 26.8555 282.406 GPRESSURE: 821800 -32.3446 -275.297 99.2664 -162.474 -13.2883 11.1383 175.283 -40.5631 275.615 PRESSAVG: 821800 -56.1575 17.4142 -32.4403 17.4142 72.5634 -19.9416 -32.4403 -19.9415 0.320249 GPRESSAVG: 821800 -57.3206 16.5531 -33.2805 16.2238 73.949 -20.7177 -31.0467 -19.7883 0.298547 TIMING: 821800 CPU: 2597.26, 0.00315317/step Wall: 2597.26, 0.00315317/step, 3.6596 hours remaining, 233.988281 MB of memory in use. ENERGY: 821800 3952.7629 20458.2802 14457.6493 252.0821 -203301.2817 2658.6118 0.0000 0.0000 52185.7141 -109336.1813 299.9120 -161521.8954 -108974.0956 299.6534 46.8147 76.6609 761133.4405 5.5754 5.6423 PRESSURE: 822000 6.39312 -96.8681 -164.511 -96.8682 -64.413 113.798 -164.512 113.799 -20.5334 GPRESSURE: 822000 22.8336 -162.49 -131.162 -189.852 -12.3191 103.62 -169.096 215.145 -11.9078 PRESSAVG: 822000 0.967185 -35.1171 -67.9374 -35.117 25.0268 -76.4675 -67.9374 -76.4675 -7.82408 GPRESSAVG: 822000 1.12038 -35.3029 -67.0132 -35.5067 23.7645 -75.1928 -69.6716 -77.9874 -7.1567 TIMING: 822000 CPU: 2597.89, 0.00316384/step Wall: 2597.89, 0.00316384/step, 3.67181 hours remaining, 233.988281 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: 822000 3999.9006 20556.1640 14480.3550 266.3678 -203519.4555 2831.4658 0.0000 0.0000 51927.9944 -109457.2079 298.4309 -161385.2023 -109088.0675 298.9537 -26.1844 -0.4645 763565.0416 6.0566 5.9094 PRESSURE: 822200 -295.029 -233.953 -54.7139 -233.953 -301.399 64.3761 -54.7142 64.3759 219.431 GPRESSURE: 822200 -261.859 -206.066 -59.5616 -202.112 -247.637 130.942 97.6111 -68.5274 237.044 PRESSAVG: 822200 -39.7268 -12.181 -48.3638 -12.181 -2.94687 -22.2967 -48.3638 -22.2967 13.4805 GPRESSAVG: 822200 -40.4226 -10.3485 -46.5779 -13.0968 -2.82109 -22.7379 -48.933 -22.257 13.9434 TIMING: 822200 CPU: 2598.53, 0.00316184/step Wall: 2598.53, 0.00316184/step, 3.66931 hours remaining, 233.988281 MB of memory in use. ENERGY: 822200 4066.7893 20585.9497 14453.5132 254.1347 -202924.3640 2288.8742 0.0000 0.0000 51882.1492 -109392.9537 298.1674 -161275.1029 -109039.9663 298.7663 -125.6657 -90.8175 761507.3682 -9.7310 -9.7668 PRESSURE: 822400 115.972 -164.415 294.442 -164.415 111.486 196.848 294.442 196.846 -252.867 GPRESSURE: 822400 111.42 -182.849 257.108 32.9276 150.937 187.937 301.723 177.238 -214.259 PRESSAVG: 822400 0.654733 -50.8891 25.3734 -50.8891 -35.9361 19.74 25.3734 19.7401 13.4956 GPRESSAVG: 822400 0.850044 -51.8351 24.2492 -50.9064 -35.9394 19.2746 24.4085 20.8983 13.0038 TIMING: 822400 CPU: 2599.16, 0.00315882/step Wall: 2599.16, 0.00315882/step, 3.66563 hours remaining, 233.988281 MB of memory in use. ENERGY: 822400 3934.5457 20484.9442 14422.6628 249.2155 -203413.5515 2659.8102 0.0000 0.0000 52182.2177 -109480.1556 299.8919 -161662.3733 -109108.7778 299.3683 -8.4700 16.0326 762510.7747 -7.2619 -7.3619 PRESSURE: 822600 336.744 -89.1129 -74.5397 -89.1118 408.51 161.306 -74.5399 161.305 -108.087 GPRESSURE: 822600 325.356 -20.0673 -58.5359 -99.5187 510.111 172.155 -30.9758 117.729 -119.418 PRESSAVG: 822600 -5.732 -24.5386 -11.8242 -24.5386 -9.27406 7.06912 -11.8242 7.06922 -14.6947 GPRESSAVG: 822600 -4.91103 -25.2354 -12.1248 -20.9742 -9.34045 6.99821 -10.383 5.02538 -15.0141 TIMING: 822600 CPU: 2599.79, 0.00315412/step Wall: 2599.79, 0.00315412/step, 3.66001 hours remaining, 233.988281 MB of memory in use. ENERGY: 822600 4013.3610 20555.4118 14528.6124 257.0239 -203454.8866 2694.8555 0.0000 0.0000 51659.8261 -109745.7960 296.8897 -161405.6221 -109386.6611 298.9648 212.3893 238.6830 761289.5159 -9.9003 -9.7552 PRESSURE: 822800 183.278 78.5985 -33.8905 78.5985 112.42 255.464 -33.89 255.464 149.212 GPRESSURE: 822800 137.751 145.31 42.0513 178.948 275.679 224.896 -40.1563 203 118.163 PRESSAVG: 822800 4.53547 -4.05487 29.1952 -4.05492 23.4925 33.7877 29.1952 33.7878 24.1002 GPRESSAVG: 822800 3.35945 -3.49515 28.8273 -6.40337 24.5564 33.2257 27.9882 35.1987 24.1501 TIMING: 822800 CPU: 2600.42, 0.00315739/step Wall: 2600.42, 0.00315739/step, 3.66362 hours remaining, 233.988281 MB of memory in use. ENERGY: 822800 4014.4230 20525.2158 14499.2255 248.7661 -203481.0500 2705.8361 0.0000 0.0000 51819.7483 -109667.8352 297.8088 -161487.5836 -109312.8000 298.3778 148.3032 177.1978 760759.4700 17.3761 17.3553 PRESSURE: 823000 147.326 123.11 95.7895 123.109 -97.8712 -161.037 95.7887 -161.037 -279.81 GPRESSURE: 823000 151.8 82.5197 84.8408 1.72173 8.68044 -194.354 112.801 -151.164 -317.833 PRESSAVG: 823000 16.6106 -10.8519 37.2704 -10.852 -9.91112 -21.749 37.2704 -21.7489 -10.1285 GPRESSAVG: 823000 18.2239 -11.8348 38.1977 -11.781 -11.533 -22.2216 38.0793 -21.8146 -10.2024 TIMING: 823000 CPU: 2601.05, 0.00315402/step Wall: 2601.05, 0.00315402/step, 3.65954 hours remaining, 233.988281 MB of memory in use. ENERGY: 823000 4003.8728 20501.8122 14460.9194 240.4675 -203084.1128 2276.1662 0.0000 0.0000 51849.8159 -109751.0588 297.9816 -161600.8747 -109399.4213 298.5529 -76.7850 -52.4508 761921.6614 -1.1430 -1.1705 PRESSURE: 823200 -289.818 252.83 68.7403 252.83 29.8675 133.87 68.7413 133.87 -140.947 GPRESSURE: 823200 -232.673 123.448 154.567 172.966 79.3359 173.373 -36.6253 96.8984 -143.628 PRESSAVG: 823200 30.0575 9.04096 44.4146 9.04089 -58.8616 27.0585 44.4146 27.0584 4.54984 GPRESSAVG: 823200 28.7901 11.3198 43.4463 9.87028 -58.2649 26.5827 44.4434 26.4513 4.72136 TIMING: 823200 CPU: 2601.68, 0.00315762/step Wall: 2601.68, 0.00315762/step, 3.66354 hours remaining, 233.988281 MB of memory in use. ENERGY: 823200 4036.1321 20528.8120 14513.1575 253.5540 -203898.2502 2710.7567 0.0000 0.0000 52047.9008 -109807.9372 299.1200 -161855.8379 -109449.3736 298.5427 -133.6326 -98.9886 761124.5778 -8.0848 -8.2511 PRESSURE: 823400 -333.887 191.169 70.3368 191.169 -221.995 -136.293 70.3367 -136.292 -170.721 GPRESSURE: 823400 -303.697 79.4096 85.1319 128.958 -260.081 -163.776 -120.075 -234.117 -73.9214 PRESSAVG: 823400 11.6998 66.3007 -27.3163 66.3008 -9.44692 -2.37038 -27.3162 -2.37035 -11.9678 GPRESSAVG: 823400 12.0396 65.5801 -26.5803 65.7713 -9.33238 -1.50935 -29.13 -3.21983 -12.2895 TIMING: 823400 CPU: 2602.31, 0.00315148/step Wall: 2602.31, 0.00315148/step, 3.65624 hours remaining, 233.988281 MB of memory in use. ENERGY: 823400 4072.6829 20525.6397 14496.2432 246.1283 -203307.4930 2427.8485 0.0000 0.0000 52020.7363 -109518.2142 298.9639 -161538.9504 -109152.2619 298.7228 -242.2009 -212.5664 762227.3697 -3.2383 -3.1941 PRESSURE: 823600 7.16081 -197.666 -262.962 -197.666 313.86 67.9226 -262.962 67.9232 27.5917 GPRESSURE: 823600 36.9636 -68.7981 -194.298 -112.548 297.788 43.827 -365.289 175.575 83.0402 PRESSAVG: 823600 17.5704 20.7902 -6.44607 20.7902 20.6305 12.5228 -6.44607 12.5229 2.88835 GPRESSAVG: 823600 17.1853 20.2412 -6.53027 22.033 20.4352 11.112 -6.08349 14.6353 3.53221 TIMING: 823600 CPU: 2602.94, 0.00314256/step Wall: 2602.94, 0.00314256/step, 3.64572 hours remaining, 233.988281 MB of memory in use. ENERGY: 823600 3953.4330 20652.1204 14365.7099 242.9951 -203639.6280 2672.7198 0.0000 0.0000 52132.7140 -109619.9359 299.6074 -161752.6500 -109249.9621 299.1465 116.2042 139.2639 759507.1487 13.6964 13.7176 PRESSURE: 823800 -132.766 -62.2203 141.856 -62.2208 -270.795 234.133 141.856 234.132 -430.809 GPRESSURE: 823800 -46.356 -100.02 116.553 -219.146 -207.285 185.456 46.9411 220.443 -490.628 PRESSAVG: 823800 26.4922 -8.63963 0.617949 -8.63961 -49.4208 22.8203 0.617927 22.8203 -22.3797 GPRESSAVG: 823800 27.4434 -7.55635 0.0516319 -9.53432 -49.8294 24.8489 2.51276 21.7132 -23.09 TIMING: 823800 CPU: 2603.58, 0.00318136/step Wall: 2603.58, 0.00318136/step, 3.69055 hours remaining, 233.988281 MB of memory in use. ENERGY: 823800 4041.8412 20451.2662 14310.4272 252.3837 -203247.9579 2480.8715 0.0000 0.0000 51810.9516 -109900.2164 297.7583 -161711.1680 -109540.7992 298.5029 -278.1232 -248.0896 763890.4899 -15.1027 -15.1587 PRESSURE: 824000 -95.1736 87.3675 -43.436 87.3672 43.7525 20.5641 -43.4365 20.5634 172.057 GPRESSURE: 824000 -110.135 13.6526 -104.682 -83.0949 40.2747 81.3874 -73.8571 -41.1437 269.292 PRESSAVG: 824000 17.636 -43.6784 -45.4654 -43.6783 -11.3526 4.9255 -45.4653 4.92543 38.9056 GPRESSAVG: 824000 16.2416 -44.8136 -45.3017 -43.6065 -10.5014 4.61113 -45.3866 3.72449 39.6884 TIMING: 824000 CPU: 2604.21, 0.00317945/step Wall: 2604.21, 0.00317945/step, 3.68816 hours remaining, 233.988281 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: 824000 3968.4765 20644.6373 14383.5801 251.3459 -203973.1974 3000.8178 0.0000 0.0000 51876.7531 -109847.5866 298.1364 -161724.3397 -109488.9759 298.5416 40.2120 66.4775 763226.5611 15.0630 15.1429 PRESSURE: 824200 -128.055 38.0272 161.842 38.0282 -236.368 -10.417 161.841 -10.417 -59.6213 GPRESSURE: 824200 -30.9211 69.6429 126.063 47.2663 -279.872 -15.4201 132.019 46.3678 -35.9066 PRESSAVG: 824200 -27.5743 3.56507 11.7418 3.56512 -4.32415 37.4033 11.7418 37.4033 0.312422 GPRESSAVG: 824200 -28.0562 5.56386 12.6301 3.21961 -4.33285 37.9175 11.2809 40.3328 0.404077 TIMING: 824200 CPU: 2604.84, 0.00314372/step Wall: 2604.84, 0.00314372/step, 3.64654 hours remaining, 233.988281 MB of memory in use. ENERGY: 824200 3934.7379 20397.0790 14390.4779 269.3562 -203262.7006 2577.1391 0.0000 0.0000 51884.7932 -109809.1175 298.1826 -161693.9106 -109443.2876 298.2821 -141.3481 -115.5665 763845.4730 -10.5287 -10.6617 LDB: ============= START OF LOAD BALANCING ============== 2617.38 LDB: ============== END OF LOAD BALANCING =============== 2617.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2617.38 LDB: ============= START OF LOAD BALANCING ============== 2617.69 LDB: Largest compute 7070 load 0.031794 is 16.3% of average load 0.195276 LDB: Average compute 0.004390 is 2.2% of average load 0.195276 LDB: TIME 2617.7 LOAD: AVG 0.195276 MAX 0.215503 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.602 MB LDB: TIME 2617.7 LOAD: AVG 0.195276 MAX 0.215503 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: TIME 2617.7 LOAD: AVG 0.195276 MAX 0.215503 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.75 MB LDB: ============== END OF LOAD BALANCING =============== 2617.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2617.7 PRESSURE: 824400 26.3017 -109.084 -389.352 -109.083 92.9873 125.813 -389.352 125.815 -243.284 GPRESSURE: 824400 102.506 -162.516 -346.727 -241.372 -4.4341 144.948 -401.756 127.867 -127.699 PRESSAVG: 824400 -42.511 -21.1478 -0.796013 -21.1478 32.2037 16.894 -0.796047 16.894 -19.8494 GPRESSAVG: 824400 -41.4996 -21.8151 -0.772752 -20.9921 32.2965 14.8621 -1.91034 16.2843 -20.4793 TIMING: 824400 CPU: 2605.49, 0.00322971/step Wall: 2605.49, 0.00322971/step, 3.7461 hours remaining, 232.117188 MB of memory in use. ENERGY: 824400 3936.3380 20550.4058 14492.5139 253.4235 -203378.3051 2562.4223 0.0000 0.0000 51949.1000 -109634.1016 298.5522 -161583.2016 -109279.5080 298.3450 -41.3318 -9.8759 762316.8467 -10.0522 -9.8941 PRESSURE: 824600 -50.597 129.936 8.2914 129.936 20.3391 34.2272 8.29138 34.226 475.267 GPRESSURE: 824600 33.844 81.8185 -3.65158 164.927 72.3878 47.2639 -41.3668 -78.1866 456.279 PRESSAVG: 824600 -43.5461 0.291886 -34.5776 0.291839 64.7544 33.2363 -34.5776 33.2363 -7.78547 GPRESSAVG: 824600 -41.9182 -1.92899 -33.8148 1.07556 64.6968 33.8759 -33.9121 31.5694 -8.82715 TIMING: 824600 CPU: 2606.12, 0.00314185/step Wall: 2606.12, 0.00314185/step, 3.64402 hours remaining, 232.117188 MB of memory in use. ENERGY: 824600 3996.0988 20591.4926 14394.9099 247.9250 -203485.0807 2728.7272 0.0000 0.0000 51946.1807 -109579.7466 298.5354 -161525.9272 -109220.7956 298.8750 148.3363 187.5037 762049.0919 4.4743 4.6505 PRESSURE: 824800 -155.918 -81.5796 97.3202 -81.5797 -136.573 180.36 97.3197 180.359 145.311 GPRESSURE: 824800 -185.286 -111.241 97.8973 -31.134 -123.84 150.921 79.4917 111.739 240.953 PRESSAVG: 824800 -58.7073 -15.7724 1.87786 -15.7724 33.1414 10.3731 1.87785 10.373 -19.7196 GPRESSAVG: 824800 -60.6363 -12.2193 0.25143 -19.4334 33.2391 9.47003 0.340797 10.3348 -18.2786 TIMING: 824800 CPU: 2606.75, 0.0031557/step Wall: 2606.75, 0.0031557/step, 3.65991 hours remaining, 232.117188 MB of memory in use. ENERGY: 824800 3954.5353 20510.0629 14397.5909 258.3279 -203553.1547 2644.9913 0.0000 0.0000 52177.3329 -109610.3135 299.8638 -161787.6464 -109241.7162 298.8689 -49.0598 -22.7243 762563.6592 -15.0952 -15.2253 PRESSURE: 825000 219.685 -55.8593 31.8747 -55.8588 -275.369 -172.543 31.8742 -172.543 55.7895 GPRESSURE: 825000 156.762 26.1914 64.6816 98.1645 -71.299 -160.627 28.3568 -151.492 12.8664 PRESSAVG: 825000 -19.9051 -19.1523 23.7815 -19.1524 25.3916 25.1669 23.7817 25.1668 0.414451 GPRESSAVG: 825000 -19.1352 -21.1697 25.1019 -15.9091 26.2584 26.186 24.371 25.6808 -0.639732 TIMING: 825000 CPU: 2607.38, 0.00315851/step Wall: 2607.38, 0.00315851/step, 3.663 hours remaining, 232.117188 MB of memory in use. ENERGY: 825000 4025.7498 20415.4656 14402.5616 253.2777 -203725.2043 2754.3316 0.0000 0.0000 52215.1578 -109658.6602 300.0812 -161873.8179 -109298.0982 299.3067 0.0351 32.7765 760407.0284 1.9670 2.1612 PRESSURE: 825200 -36.5562 -90.446 24.8232 -90.4451 16.1209 80.4432 24.8231 80.443 88.6626 GPRESSURE: 825200 6.17535 -71.4162 54.6501 -44.2413 68.1082 55.6253 13.6617 -30.5561 71.3274 PRESSAVG: 825200 -14.1681 -8.87757 -33.3566 -8.87754 16.2149 39.0298 -33.3566 39.0299 -7.25188 GPRESSAVG: 825200 -15.1671 -7.37905 -34.7343 -11.1987 15.9345 38.7246 -31.2558 38.7454 -6.19978 TIMING: 825200 CPU: 2608.01, 0.00317569/step Wall: 2608.01, 0.00317569/step, 3.68274 hours remaining, 232.117188 MB of memory in use. ENERGY: 825200 3988.8423 20622.2600 14457.5763 255.4336 -203624.5642 2667.8921 0.0000 0.0000 52015.3912 -109617.1687 298.9332 -161632.5599 -109255.4378 299.1992 22.7424 48.5370 759738.0037 -1.7350 -1.8108 PRESSURE: 825400 46.1036 252.247 158.811 252.248 20.5887 42.9395 158.811 42.9403 350.361 GPRESSURE: 825400 145.303 250.93 158.062 63.1396 57.8199 54.0394 0.745335 -18.0435 310.659 PRESSAVG: 825400 -42.7503 -3.41961 9.41894 -3.41965 -7.97219 47.8673 9.41897 47.8672 22.4101 GPRESSAVG: 825400 -41.7227 -5.9859 9.87767 -0.990755 -8.33355 47.4311 5.21169 46.0386 21.6666 TIMING: 825400 CPU: 2608.65, 0.00316045/step Wall: 2608.65, 0.00316046/step, 3.6649 hours remaining, 232.117188 MB of memory in use. ENERGY: 825400 4034.2320 20581.4275 14436.0486 250.9935 -203598.6458 2587.4519 0.0000 0.0000 52158.9062 -109549.5860 299.7580 -161708.4922 -109186.5338 299.0110 139.0178 171.2604 760097.4738 -9.4375 -9.4632 PRESSURE: 825600 75.6213 -11.568 -163.27 -11.5688 -36.7506 -281.402 -163.271 -281.403 204.295 GPRESSURE: 825600 62.2147 -17.1348 -156.927 -17.7876 73.9366 -248.393 -99.3374 -237.725 188.023 PRESSAVG: 825600 -16.6912 6.62852 -26.6324 6.62846 44.9157 45.7606 -26.6323 45.7606 6.6439 GPRESSAVG: 825600 -15.652 7.3864 -26.7775 4.79038 45.2196 46.1636 -24.3331 48.5039 5.37603 TIMING: 825600 CPU: 2609.28, 0.00316641/step Wall: 2609.28, 0.00316641/step, 3.67162 hours remaining, 232.117188 MB of memory in use. ENERGY: 825600 3996.3378 20364.8782 14391.8848 231.4739 -203422.4866 2682.8309 0.0000 0.0000 52170.6020 -109584.4791 299.8252 -161755.0811 -109215.4855 299.0095 81.0554 108.0581 762005.1351 11.6228 11.6479 PRESSURE: 825800 -63.4341 -116.103 129.957 -116.103 -120.949 0.746989 129.957 0.74719 -54.5221 GPRESSURE: 825800 -149.025 -101.471 123.275 -138.558 -16.5327 -46.9653 104.16 104.619 24.9955 PRESSAVG: 825800 -11.0246 36.1057 17.5518 36.1058 -18.8156 24.1177 17.5518 24.1177 -16.3931 GPRESSAVG: 825800 -12.437 37.4587 17.2329 38.1357 -19.8166 22.7112 18.05 25.2024 -14.2464 TIMING: 825800 CPU: 2609.91, 0.00316354/step Wall: 2609.91, 0.00316354/step, 3.66812 hours remaining, 232.117188 MB of memory in use. ENERGY: 825800 3962.7944 20603.2786 14455.7769 252.8395 -203413.2097 2605.9598 0.0000 0.0000 52231.6807 -109300.8797 300.1762 -161532.5605 -108939.5517 299.3390 -79.6350 -46.8541 762293.7794 -15.4111 -15.5000 PRESSURE: 826000 -7.45422 141.526 -119.533 141.526 79.5918 38.0302 -119.533 38.0299 -42.3117 GPRESSURE: 826000 94.6694 123.41 -64.4847 152.88 54.5507 -66.8057 -133.509 -48.3089 -31.9401 PRESSAVG: 826000 0.564183 -32.1394 37.2241 -32.1394 17.4399 76.9141 37.2241 76.9141 -20.5512 GPRESSAVG: 826000 1.30234 -31.5427 36.9276 -33.9207 18.2884 76.3765 36.3017 76.2241 -22.602 TIMING: 826000 CPU: 2610.54, 0.00313994/step Wall: 2610.54, 0.00313994/step, 3.64059 hours remaining, 232.117188 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: 826000 4067.8209 20562.8568 14435.5577 222.4690 -203603.0723 2843.3823 0.0000 0.0000 52292.8025 -109178.1830 300.5275 -161470.9855 -108814.8599 300.0435 9.9419 39.0933 762675.6118 -0.8490 -1.0037 PRESSURE: 826200 31.2428 -23.2227 -76.5092 -23.222 96.4715 -128.782 -76.5088 -128.782 46.0278 GPRESSURE: 826200 -42.8276 19.4598 -2.03506 -72.6493 187.088 -101.598 28.6066 -71.5335 119.056 PRESSAVG: 826200 -14.5033 -13.871 -6.55284 -13.871 25.1244 37.2333 -6.5529 37.2334 -9.48765 GPRESSAVG: 826200 -15.8237 -15.0926 -5.75463 -14.9067 24.6593 38.4507 -7.30056 37.7462 -7.25524 TIMING: 826200 CPU: 2611.17, 0.00314973/step Wall: 2611.17, 0.00314973/step, 3.65177 hours remaining, 232.117188 MB of memory in use. ENERGY: 826200 4003.8505 20671.9246 14430.4367 263.6757 -203551.0221 2778.8804 0.0000 0.0000 52362.3941 -109039.8601 300.9274 -161402.2542 -108670.1915 300.1466 57.9140 87.7721 761302.5860 0.3778 0.5268 PRESSURE: 826400 194.116 -61.2829 -64.0184 -61.2831 -336.564 -24.5538 -64.0181 -24.5532 -231.454 GPRESSURE: 826400 154.144 -27.6692 -155.225 -30.7467 -254.861 -40.704 -28.5789 -124.956 -189.985 PRESSAVG: 826400 -49.2578 -29.9555 -34.7649 -29.9555 59.2621 22.8772 -34.7649 22.8771 -26.7159 GPRESSAVG: 826400 -47.3088 -30.9128 -34.9783 -28.1715 58.0513 23.2144 -33.7162 20.8297 -27.2383 TIMING: 826400 CPU: 2611.8, 0.00314344/step Wall: 2611.8, 0.00314344/step, 3.6443 hours remaining, 232.117188 MB of memory in use. ENERGY: 826400 3982.4001 20787.5805 14402.3303 274.2373 -202872.2335 2352.0404 0.0000 0.0000 52099.2546 -108974.3903 299.4151 -161073.6449 -108617.2915 300.2897 -124.6340 -96.9009 762931.1378 -5.5705 -5.4986 PRESSURE: 826600 27.1812 102.027 -58.2891 102.027 390.708 -12.9497 -58.289 -12.9507 -203.433 GPRESSURE: 826600 95.9655 -40.8311 -67.0975 119.279 319.216 -75.1992 79.3433 57.2136 -105.913 PRESSAVG: 826600 -19.6776 12.8619 -43.3609 12.8618 44.9186 52.4363 -43.3609 52.4364 -10.9847 GPRESSAVG: 826600 -20.6515 12.181 -43.8473 12.2885 45.4006 52.5993 -43.6631 53.0833 -11.0604 TIMING: 826600 CPU: 2612.43, 0.00316728/step Wall: 2612.43, 0.00316728/step, 3.67175 hours remaining, 232.117188 MB of memory in use. ENERGY: 826600 3961.6537 20670.0667 14453.3690 251.3574 -203519.4668 2774.2399 0.0000 0.0000 52347.8907 -109060.8893 300.8440 -161408.7800 -108700.9002 300.1969 71.4852 103.0894 761312.1344 4.7521 4.5629 PRESSURE: 826800 -121.915 15.559 119.644 15.5583 -282.025 197.46 119.644 197.46 -38.9638 GPRESSURE: 826800 -131.286 24.6503 197.148 -8.55123 -142.062 173.193 198.466 234.987 -84.154 PRESSAVG: 826800 -42.497 -20.1604 -39.5586 -20.1604 24.5775 8.11438 -39.5585 8.11437 -2.00749 GPRESSAVG: 826800 -41.9806 -18.4054 -39.5205 -21.3306 23.6862 8.21756 -36.7948 6.97272 -1.71497 TIMING: 826800 CPU: 2613.06, 0.00316022/step Wall: 2613.06, 0.00316022/step, 3.66339 hours remaining, 232.117188 MB of memory in use. ENERGY: 826800 4089.8657 20756.6752 14419.1536 228.1072 -203338.7100 2542.9496 0.0000 0.0000 52093.4674 -109208.4913 299.3819 -161301.9587 -108845.7491 299.9662 -147.6345 -119.1674 760174.6430 -6.6423 -6.6698 PRESSURE: 827000 -646.868 221.764 -266.115 221.763 14.1084 142.264 -266.116 142.263 33.236 GPRESSURE: 827000 -507.174 112.398 -288.209 182.719 23.7253 216.35 -268.566 44.364 -29.6919 PRESSAVG: 827000 -15.0316 24.4631 -67.8122 24.4631 63.5515 -37.1706 -67.8122 -37.1705 9.28003 GPRESSAVG: 827000 -15.0569 22.0618 -67.3655 25.4574 64.7684 -36.2957 -67.9815 -36.4631 8.66305 TIMING: 827000 CPU: 2613.7, 0.00315524/step Wall: 2613.7, 0.00315524/step, 3.65745 hours remaining, 232.117188 MB of memory in use. ENERGY: 827000 4005.9797 20723.3052 14449.5078 243.1762 -203218.2421 2445.9035 0.0000 0.0000 52104.4635 -109245.9062 299.4451 -161350.3697 -108887.3859 299.8800 -199.8411 -171.0467 760807.3121 19.2667 19.4582 PRESSURE: 827200 73.8007 -27.014 152.592 -27.0138 116.136 -79.178 152.592 -79.1776 -157.142 GPRESSURE: 827200 40.2204 -74.3553 105.999 -125.052 161.406 -249.205 55.9534 -81.8413 -94.1718 PRESSAVG: 827200 -68.3925 -23.092 -11.7816 -23.092 21.3039 -1.12769 -11.7816 -1.12761 10.7441 GPRESSAVG: 827200 -70.8005 -21.2764 -11.4219 -22.9435 22.341 -3.12824 -16.461 -0.668851 11.9834 TIMING: 827200 CPU: 2614.32, 0.00313472/step Wall: 2614.32, 0.00313472/step, 3.63349 hours remaining, 232.117188 MB of memory in use. ENERGY: 827200 3918.6533 20696.0687 14456.0632 261.4996 -203481.5037 2681.4120 0.0000 0.0000 52026.4873 -109441.3196 298.9969 -161467.8069 -109080.2292 299.2208 10.9315 35.8182 761984.8242 -12.1148 -12.1587 PRESSURE: 827400 56.7577 -95.5585 -3.83561 -95.5586 50.7379 56.3534 -3.83614 56.3519 327.21 GPRESSURE: 827400 135.62 -89.1703 -0.981887 -56.1201 125.941 17.9356 26.6024 136.864 257.432 PRESSAVG: 827400 54.5623 -8.56941 3.07484 -8.56939 3.23116 -14.2308 3.07483 -14.2308 -1.8126 GPRESSAVG: 827400 55.8388 -7.88467 3.7615 -10.5048 2.13578 -13.0108 2.99618 -14.0287 -2.37424 TIMING: 827400 CPU: 2614.95, 0.00314252/step Wall: 2614.95, 0.00314252/step, 3.64235 hours remaining, 232.117188 MB of memory in use. ENERGY: 827400 3999.3998 20444.9846 14427.4114 242.5494 -203607.5676 2876.5475 0.0000 0.0000 52171.8874 -109444.7875 299.8326 -161616.6749 -109077.0516 299.1284 144.9017 172.9975 761797.4036 18.6603 18.5334 PRESSURE: 827600 -62.0837 -57.0263 -126.134 -57.026 -12.7562 -417.008 -126.134 -417.007 219.404 GPRESSURE: 827600 -74.2079 -137.399 -110.495 63.1474 138.323 -377.984 -55.2713 -378.355 178.799 PRESSAVG: 827600 -66.0292 -32.8301 6.74987 -32.8302 56.777 3.2425 6.74979 3.24253 -10.2139 GPRESSAVG: 827600 -66.4836 -33.0541 6.44862 -32.9519 57.4082 1.69814 9.77123 2.174 -9.99994 TIMING: 827600 CPU: 2615.58, 0.00313648/step Wall: 2615.58, 0.00313648/step, 3.63518 hours remaining, 232.117188 MB of memory in use. ENERGY: 827600 3996.3991 20499.6194 14449.8615 252.2498 -203228.2513 2709.8635 0.0000 0.0000 51923.9577 -109396.3004 298.4077 -161320.2580 -109033.0347 298.9163 48.1881 80.9714 762411.8245 -6.4887 -6.3584 PRESSURE: 827800 -321.915 24.8204 10.0063 24.8193 -341.197 199.097 10.0062 199.097 -202.646 GPRESSURE: 827800 -330.467 60.7461 29.7361 -58.4619 -231.587 182.576 -66.9202 166.695 -213.19 PRESSAVG: 827800 -3.64268 -30.7596 20.4481 -30.7597 -1.72557 -50.3886 20.4482 -50.3886 27.5267 GPRESSAVG: 827800 -3.92746 -31.9648 21.0336 -29.6886 -1.06454 -49.378 20.1248 -51.2927 26.2159 TIMING: 827800 CPU: 2616.21, 0.00314917/step Wall: 2616.21, 0.00314917/step, 3.64971 hours remaining, 232.117188 MB of memory in use. ENERGY: 827800 4102.3947 20472.5155 14475.7100 237.4649 -202963.7290 2284.7681 0.0000 0.0000 52007.4698 -109383.4061 298.8876 -161390.8759 -109015.5974 299.7247 -288.5860 -258.4146 763553.2856 7.3862 7.0746 PRESSURE: 828000 -231.95 75.4949 -19.7926 75.4958 -123.61 218.96 -19.7931 218.959 -193.021 GPRESSURE: 828000 -109.166 -98.5014 -30.2065 -27.2606 -48.4385 218.969 -5.72658 314.125 -299.618 PRESSAVG: 828000 -30.8625 0.965468 15.7323 0.965421 53.1493 19.5427 15.7323 19.5428 -0.740221 GPRESSAVG: 828000 -30.6864 -0.302228 14.9329 0.071926 51.6173 18.9771 16.137 21.0531 0.591594 TIMING: 828000 CPU: 2616.84, 0.00316339/step Wall: 2616.84, 0.00316339/step, 3.66601 hours remaining, 232.117188 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: 828000 4010.8108 20552.7355 14536.7565 259.7563 -203373.1001 2586.0731 0.0000 0.0000 52187.3447 -109239.6232 299.9214 -161426.9679 -108881.0188 299.7208 -182.8603 -152.4073 761034.0246 7.1822 7.1742 PRESSURE: 828200 402.235 -144.797 123.444 -144.798 263.429 26.6952 123.445 26.6958 321.631 GPRESSURE: 828200 395.716 -57.3346 172.498 -107.896 315.117 -38.6586 87.8427 -31.4155 351.078 PRESSAVG: 828200 -35.6988 17.6263 -21.9459 17.6263 14.1335 25.5803 -21.9458 25.5802 13.6747 GPRESSAVG: 828200 -35.522 20.5252 -20.9097 18.3404 14.0696 26.9894 -22.4337 23.9693 13.2327 TIMING: 828200 CPU: 2617.48, 0.00318162/step Wall: 2617.48, 0.00318162/step, 3.68697 hours remaining, 232.117188 MB of memory in use. ENERGY: 828200 3967.1314 20462.1304 14456.7927 233.0222 -203597.9497 2965.6263 0.0000 0.0000 52254.2863 -109258.9604 300.3061 -161513.2467 -108898.2568 299.2231 329.0984 353.9703 762030.1852 -2.6302 -2.7399 LDB: ============= START OF LOAD BALANCING ============== 2630.01 LDB: ============== END OF LOAD BALANCING =============== 2630.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2630.01 LDB: ============= START OF LOAD BALANCING ============== 2630.33 LDB: Largest compute 7058 load 0.030446 is 15.6% of average load 0.195293 LDB: Average compute 0.004376 is 2.2% of average load 0.195293 LDB: TIME 2630.33 LOAD: AVG 0.195293 MAX 0.215084 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.398 MB LDB: TIME 2630.33 LOAD: AVG 0.195293 MAX 0.215084 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: TIME 2630.33 LOAD: AVG 0.195293 MAX 0.215084 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.602 MB LDB: ============== END OF LOAD BALANCING =============== 2630.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2630.34 PRESSURE: 828400 -467.706 196.208 10.0468 196.207 25.2197 -63.0325 10.0477 -63.0322 -177.366 GPRESSURE: 828400 -467.518 72.3992 -38.2424 186.743 150.137 -80.6232 -91.7587 -108.183 -214.242 PRESSAVG: 828400 -65.4261 -57.805 10.5272 -57.805 70.2818 -5.07696 10.5271 -5.07699 12.8106 GPRESSAVG: 828400 -66.3011 -58.4118 9.00383 -58.1619 70.4486 -5.75425 9.70191 -4.17168 13.263 TIMING: 828400 CPU: 2618.12, 0.00324005/step Wall: 2618.12, 0.00324005/step, 3.7545 hours remaining, 233.601562 MB of memory in use. ENERGY: 828400 3976.7897 20419.0250 14461.1086 236.2446 -202967.8762 2492.9450 0.0000 0.0000 52046.3907 -109335.3727 299.1113 -161381.7634 -108968.4084 298.9926 -206.6173 -177.2077 763442.1001 5.8888 5.8035 PRESSURE: 828600 55.1515 69.971 171.944 69.971 195.127 -166.959 171.944 -166.96 -6.32795 GPRESSURE: 828600 153.739 12.8312 195.408 29.3598 175.507 -166.299 289.779 -194.255 22.4974 PRESSAVG: 828600 6.19217 -76.4255 -18.8297 -76.4255 9.52097 -31.1192 -18.8298 -31.1192 5.87312 GPRESSAVG: 828600 6.66236 -76.2583 -19.1307 -77.3732 9.45025 -29.9484 -16.2882 -32.6473 6.18306 TIMING: 828600 CPU: 2618.76, 0.00317194/step Wall: 2618.76, 0.00317194/step, 3.67539 hours remaining, 233.804688 MB of memory in use. ENERGY: 828600 3922.1821 20414.7531 14471.7489 242.6814 -203366.6482 2608.4096 0.0000 0.0000 52130.5675 -109576.3055 299.5951 -161706.8730 -109204.5862 298.7315 81.3168 117.2480 761102.6963 7.1954 7.4319 PRESSURE: 828800 -140.765 -247.069 -64.5631 -247.07 140.349 150.27 -64.5621 150.27 20.4864 GPRESSURE: 828800 -49.5349 -58.1834 -29.5602 -202.649 119.785 99.8005 38.4516 165.277 33.8131 PRESSAVG: 828800 -35.0115 -20.3612 22.606 -20.3612 44.8591 -15.4841 22.6059 -15.4842 21.2306 GPRESSAVG: 828800 -33.9712 -20.6481 22.7627 -17.9854 44.2952 -16.7718 22.8686 -11.2783 20.7257 TIMING: 828800 CPU: 2619.39, 0.00317082/step Wall: 2619.39, 0.00317082/step, 3.67393 hours remaining, 233.804688 MB of memory in use. ENERGY: 828800 4038.2103 20543.8803 14458.3874 253.8986 -203064.8612 2446.5636 0.0000 0.0000 52013.8016 -109310.1194 298.9240 -161323.9210 -108961.5924 298.4566 6.6899 34.6878 763848.6224 10.3594 10.3499 PRESSURE: 829000 279.865 -137.077 78.3984 -137.077 481.67 17.2666 78.3979 17.2665 -241.831 GPRESSURE: 829000 291.292 -109.899 149.745 -132.617 495.506 -11.9183 98.1819 13.0903 -153.72 PRESSAVG: 829000 -14.1448 -75.3741 -12.6356 -75.3741 44.5744 20.8911 -12.6356 20.8911 1.79203 GPRESSAVG: 829000 -14.2907 -74.0123 -11.8402 -76.5298 44.555 20.153 -13.4496 17.6104 2.5297 TIMING: 829000 CPU: 2620.02, 0.00314189/step Wall: 2620.02, 0.00314189/step, 3.64023 hours remaining, 233.804688 MB of memory in use. ENERGY: 829000 3972.9080 20378.5063 14436.1148 235.5214 -203726.1808 3121.1571 0.0000 0.0000 52267.6451 -109314.3281 300.3829 -161581.9732 -108955.2822 299.1287 173.2347 211.0260 761239.9150 10.7405 10.9313 PRESSURE: 829200 187.095 78.3424 169.011 78.3425 371.66 119.329 169.011 119.329 503.93 GPRESSURE: 829200 226.078 71.9287 112.307 39.5945 385.328 241.365 213.182 165.639 541.881 PRESSAVG: 829200 14.3713 -47.4036 -23.0898 -47.4036 32.4834 34.6115 -23.0898 34.6115 -0.509992 GPRESSAVG: 829200 13.0633 -49.9305 -24.799 -46.5599 33.1634 34.274 -22.6281 35.5905 -0.196564 TIMING: 829200 CPU: 2620.65, 0.00315731/step Wall: 2620.65, 0.00315731/step, 3.65792 hours remaining, 233.804688 MB of memory in use. ENERGY: 829200 3803.0857 20546.4723 14396.7041 242.4071 -203437.2208 3090.8824 0.0000 0.0000 52158.1056 -109199.5635 299.7533 -161357.6691 -108847.5416 299.3222 354.2284 384.4292 761278.3972 15.4482 15.3434 PRESSURE: 829400 103.947 6.49522 -96.3507 6.49453 186.762 -105.939 -96.3508 -105.94 72.5026 GPRESSURE: 829400 190.314 -17.4435 -79.8089 48.7008 137.91 -144.404 -91.2121 -104.924 105.875 PRESSAVG: 829400 -7.37207 -22.6318 -5.11612 -22.6318 1.88406 -12.0164 -5.11617 -12.0164 6.29707 GPRESSAVG: 829400 -5.61421 -20.2355 -3.87594 -21.5177 1.19117 -10.0518 -5.34097 -12.5966 5.33299 TIMING: 829400 CPU: 2621.29, 0.00317455/step Wall: 2621.29, 0.00317455/step, 3.67772 hours remaining, 233.804688 MB of memory in use. ENERGY: 829400 3997.6313 20384.0983 14432.5011 244.3288 -203219.1665 2895.5742 0.0000 0.0000 52208.1422 -109056.8907 300.0409 -161265.0329 -108703.1284 299.6586 121.0705 144.6997 762333.3181 0.2697 0.3033 PRESSURE: 829600 198.853 -293.507 -74.3292 -293.507 232.396 -8.81035 -74.3297 -8.81009 -20.2378 GPRESSURE: 829600 194.154 -273.81 -126.59 -223.84 302.111 83.5349 37.1904 -31.788 -26.6244 PRESSAVG: 829600 -18.2812 -33.9037 24.6687 -33.9036 26.4275 5.27628 24.6687 5.27618 -0.37738 GPRESSAVG: 829600 -19.4325 -34.8823 23.1597 -35.6903 27.3347 4.43279 24.5503 4.90565 0.0699492 TIMING: 829600 CPU: 2621.92, 0.00315553/step Wall: 2621.92, 0.00315553/step, 3.6555 hours remaining, 233.804688 MB of memory in use. ENERGY: 829600 3915.3585 20644.3581 14453.8614 247.3391 -203091.9131 2671.6863 0.0000 0.0000 51982.1765 -109177.1332 298.7423 -161159.3097 -108814.7351 299.8981 137.0037 156.5468 760780.5887 2.5896 2.6574 PRESSURE: 829800 52.6073 147.774 -67.5507 147.774 -126.436 5.97413 -67.5498 5.97478 -46.7077 GPRESSURE: 829800 89.261 23.7805 -15.917 82.8186 -91.9984 -41.6864 17.0039 -126.248 -43.9768 PRESSAVG: 829800 4.59928 -3.90358 -4.0289 -3.90361 11.4247 -31.552 -4.02891 -31.552 -10.3631 GPRESSAVG: 829800 6.31033 -5.19739 -2.24044 -3.77566 10.4568 -32.1583 -5.01321 -31.2836 -10.6315 TIMING: 829800 CPU: 2622.55, 0.00315434/step Wall: 2622.55, 0.00315433/step, 3.65395 hours remaining, 233.804688 MB of memory in use. ENERGY: 829800 3826.2725 20701.9867 14385.8436 257.6483 -202701.2381 2223.2417 0.0000 0.0000 52040.6361 -109265.6092 299.0783 -161306.2453 -108913.7742 299.1944 -40.1789 -15.5714 761758.7828 1.8870 2.0452 PRESSURE: 830000 -221.289 72.287 -184.508 72.2877 53.1972 162.265 -184.508 162.265 -401.544 GPRESSURE: 830000 -129.072 44.9342 -333.547 232.956 -45.4352 87.8664 -13.9365 127.729 -299.457 PRESSAVG: 830000 36.128 4.37697 42.454 4.37702 28.8586 2.16584 42.454 2.16574 11.9039 GPRESSAVG: 830000 34.3926 5.39256 42.7222 3.09797 29.5949 1.77065 43.0065 1.48886 12.8963 TIMING: 830000 CPU: 2623.18, 0.00315619/step Wall: 2623.18, 0.00315619/step, 3.65592 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: 830000 4049.6394 20651.9086 14462.3454 257.4345 -202726.7093 2343.7979 0.0000 0.0000 51975.0906 -108986.4930 298.7016 -160961.5836 -108633.8687 299.7800 -189.8787 -157.9880 761837.7265 25.6302 25.6279 PRESSURE: 830200 37.5352 125.932 -1.75362 125.933 -145.227 77.6965 -1.75232 77.6956 180.822 GPRESSURE: 830200 51.2633 223.509 2.44455 112.472 -115.153 18.5851 -17.9771 222.467 232.638 PRESSAVG: 830200 32.6109 -32.0913 -15.4945 -32.0913 -47.1392 25.5296 -15.4946 25.5296 12.5632 GPRESSAVG: 830200 34.5393 -33.0026 -16.2071 -28.1861 -47.6425 25.6935 -16.2214 26.9266 11.9903 TIMING: 830200 CPU: 2623.82, 0.00316939/step Wall: 2623.82, 0.00316939/step, 3.67103 hours remaining, 233.804688 MB of memory in use. ENERGY: 830200 3930.3846 20613.6110 14408.8613 228.1024 -203058.6363 2528.6741 0.0000 0.0000 52191.6380 -109157.3649 299.9461 -161349.0029 -108787.6784 299.6262 24.3766 56.2493 759739.4178 -0.6550 -0.3710 PRESSURE: 830400 -97.4175 10.0675 -108.847 10.067 -428.94 105.313 -108.847 105.313 176.912 GPRESSURE: 830400 -125.67 -43.8152 -152.439 -36.6462 -290.038 97.9378 -105.553 0.425405 152.84 PRESSAVG: 830400 48.9981 -18.6692 -34.0279 -18.6692 -41.4244 99.5126 -34.028 99.5126 -15.6947 GPRESSAVG: 830400 47.8299 -17.3871 -34.0065 -22.7515 -40.0933 100.634 -33.5543 96.6655 -16.183 TIMING: 830400 CPU: 2624.44, 0.00314237/step Wall: 2624.44, 0.00314237/step, 3.63957 hours remaining, 233.804688 MB of memory in use. ENERGY: 830400 4007.8257 20433.0338 14420.9993 232.8853 -203236.2590 2585.9530 0.0000 0.0000 52343.5377 -109212.0243 300.8190 -161555.5619 -108841.2632 300.0693 -116.4820 -87.6224 761214.6123 -2.7070 -2.8155 PRESSURE: 830600 61.0048 31.2279 270.696 31.2274 -31.1409 -61.9639 270.696 -61.9652 -245.745 GPRESSURE: 830600 86.2393 77.9229 272.966 -15.3429 0.597211 -110.713 146.96 -31.6635 -231.929 PRESSAVG: 830600 -20.3056 2.38894 -13.2854 2.38895 35.0672 30.7267 -13.2854 30.7267 -25.2735 GPRESSAVG: 830600 -20.1062 1.17392 -13.0587 5.58056 35.1699 30.012 -13.6094 33.0709 -25.5282 TIMING: 830600 CPU: 2625.07, 0.00315081/step Wall: 2625.07, 0.00315081/step, 3.64916 hours remaining, 233.804688 MB of memory in use. ENERGY: 830600 4008.4236 20431.6110 14538.5384 239.1751 -203111.8674 2646.6332 0.0000 0.0000 52000.2624 -109247.2236 298.8462 -161247.4860 -108878.7184 299.7000 -71.9604 -48.3643 761868.9338 -3.5040 -3.4882 PRESSURE: 830800 -120.593 -105.258 -42.1283 -105.258 -51.8573 43.5408 -42.1269 43.5406 255.981 GPRESSURE: 830800 -104.44 -219.784 -114.26 -5.59065 8.28584 6.03539 -7.07615 58.8021 252.503 PRESSAVG: 830800 -18.774 13.2027 -8.79141 13.2027 -16.8648 32.0228 -8.79139 32.0227 -1.41108 GPRESSAVG: 830800 -18.9533 13.1981 -10.4655 11.0172 -16.4477 28.8516 -8.72411 33.0988 -0.566686 TIMING: 830800 CPU: 2625.7, 0.00314645/step Wall: 2625.7, 0.00314645/step, 3.64394 hours remaining, 233.804688 MB of memory in use. ENERGY: 830800 3929.4263 20527.4075 14513.5750 252.2757 -203116.0576 2513.0790 0.0000 0.0000 52119.1774 -109261.1167 299.5296 -161380.2941 -108899.8284 299.5229 27.8435 52.1163 763108.3100 -12.3500 -11.9892 PRESSURE: 831000 -34.3401 20.9518 -22.2752 20.9525 -25.8612 -42.6524 -22.2757 -42.654 -246.338 GPRESSURE: 831000 35.3384 -20.4181 -36.0669 70.7544 2.7932 -74.722 13.7766 -102.495 -246.157 PRESSAVG: 831000 19.0263 23.1866 -46.0874 23.1865 -10.2991 44.8164 -46.0874 44.8164 -8.87053 GPRESSAVG: 831000 20.1857 27.6038 -45.0334 24.1845 -10.2523 47.4526 -46.6457 42.3395 -9.37503 TIMING: 831000 CPU: 2626.33, 0.00315094/step Wall: 2626.33, 0.00315094/step, 3.64897 hours remaining, 233.804688 MB of memory in use. ENERGY: 831000 3996.6701 20462.0854 14499.4506 248.5633 -203444.7763 2768.0765 0.0000 0.0000 51769.1585 -109700.7720 297.5181 -161469.9305 -109338.9602 298.8948 -102.1798 -69.3419 761478.5639 -0.0478 0.1861 PRESSURE: 831200 -213.428 148.03 144.66 148.03 -111.724 221.94 144.66 221.94 -461.967 GPRESSURE: 831200 -183.46 128.162 92.9677 117.91 -57.1472 226.077 136.948 235.116 -468.769 PRESSAVG: 831200 -35.0979 35.7165 -54.4132 35.7166 39.6112 81.9197 -54.4132 81.9197 -3.74744 GPRESSAVG: 831200 -34.4458 32.9691 -53.9432 34.2997 39.2517 81.0677 -53.276 82.0353 -3.90516 TIMING: 831200 CPU: 2626.96, 0.00315392/step Wall: 2626.96, 0.00315392/step, 3.65224 hours remaining, 233.804688 MB of memory in use. ENERGY: 831200 4003.0511 20463.5657 14480.9128 238.8829 -203141.6631 2560.2013 0.0000 0.0000 51820.7036 -109574.3458 297.8143 -161395.0494 -109213.4169 298.6610 -262.3733 -236.4586 763479.7715 0.2553 0.3003 PRESSURE: 831400 111.119 190.295 164.384 190.294 54.4346 -59.4147 164.383 -59.4143 265.991 GPRESSURE: 831400 66.4495 254.084 183.171 147.943 174.934 -53.3747 169.379 62.8325 277.919 PRESSAVG: 831400 2.0142 -17.8739 -13.9673 -17.8739 14.1227 50.7947 -13.9673 50.7948 12.085 GPRESSAVG: 831400 1.07449 -18.4239 -13.5936 -16.2557 14.7458 49.9404 -15.9942 51.8361 12.4001 TIMING: 831400 CPU: 2627.59, 0.00313469/step Wall: 2627.59, 0.00313469/step, 3.62979 hours remaining, 233.804688 MB of memory in use. ENERGY: 831400 4038.9790 20433.6009 14417.7417 227.8026 -203543.1078 2622.1844 0.0000 0.0000 52078.7314 -109724.0677 299.2972 -161802.7991 -109356.4377 298.7556 143.8481 173.1007 761935.2062 9.4073 9.4068 PRESSURE: 831600 29.1561 -20.9877 -311.554 -20.9881 166.821 -70.6954 -311.554 -70.6962 -125.906 GPRESSURE: 831600 23.3389 -52.4552 -326.346 58.1961 158.231 -79.3073 -262.332 -9.80637 -36.2824 PRESSAVG: 831600 -51.9054 -11.9952 -65.3629 -11.9952 91.0886 -24.5281 -65.3629 -24.5281 1.07125 GPRESSAVG: 831600 -51.8188 -13.0556 -66.7476 -11.8497 91.2868 -22.7638 -63.332 -24.9864 0.596885 TIMING: 831600 CPU: 2628.22, 0.00315318/step Wall: 2628.22, 0.00315318/step, 3.65103 hours remaining, 233.804688 MB of memory in use. ENERGY: 831600 3983.7022 20481.3122 14456.1057 225.8432 -203881.4687 2842.7580 0.0000 0.0000 52106.8628 -109784.8846 299.4589 -161891.7474 -109427.0323 298.5020 23.3571 48.4292 760055.2202 13.4182 13.3550 PRESSURE: 831800 176.79 22.6785 50.4775 22.678 -42.0217 -22.9598 50.4779 -22.9598 -108.735 GPRESSURE: 831800 141.051 78.0711 168.397 147.914 -20.7929 6.79517 139.155 6.00888 -7.60097 PRESSAVG: 831800 0.701899 45.6187 -30.1526 45.6186 47.373 -41.5808 -30.1526 -41.5808 -8.85616 GPRESSAVG: 831800 -0.315898 47.3428 -28.8946 46.4011 46.952 -41.868 -30.2479 -41.7961 -7.66458 TIMING: 831800 CPU: 2628.85, 0.00316153/step Wall: 2628.85, 0.00316153/step, 3.66053 hours remaining, 233.804688 MB of memory in use. ENERGY: 831800 3950.4215 20514.1445 14478.6980 248.6090 -203810.8840 2797.9993 0.0000 0.0000 52034.4822 -109786.5295 299.0429 -161821.0116 -109430.9885 298.3854 8.6780 37.5522 761433.1382 13.0729 12.9905 PRESSURE: 832000 -168.282 75.3416 140.233 75.3408 235.163 -74.3463 140.232 -74.3461 66.6872 GPRESSURE: 832000 -68.2871 12.4984 141.435 75.4696 248.767 -33.1576 116.591 -142.573 26.5364 PRESSAVG: 832000 -23.7311 -3.43511 -12.3737 -3.43512 38.8937 -43.2794 -12.3738 -43.2794 -9.87657 GPRESSAVG: 832000 -22.4704 -3.30012 -12.3897 -4.02019 38.3517 -42.4473 -11.4285 -43.0902 -10.7828 TIMING: 832000 CPU: 2629.48, 0.00315113/step Wall: 2629.48, 0.00315113/step, 3.64831 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: 832000 3986.3455 20463.2073 14417.2425 252.1384 -203431.1717 2726.6117 0.0000 0.0000 52013.4571 -109572.1691 298.9221 -161585.6262 -109213.1399 299.1002 44.5226 69.0056 762790.6275 1.7620 1.6995 PRESSURE: 832200 163.749 227.067 -12.9677 227.068 95.2475 29.9445 -12.9683 29.9452 121.637 GPRESSURE: 832200 318.05 255.674 35.9106 118.958 63.3845 -2.2223 -63.7007 -19.4885 99.278 PRESSAVG: 832200 -49.2945 -47.4179 38.0797 -47.4179 0.0420463 36.3641 38.0796 36.3641 2.15709 GPRESSAVG: 832200 -49.931 -47.4246 38.8195 -49.0992 0.937128 35.2615 34.7928 35.23 2.09409 TIMING: 832200 CPU: 2630.11, 0.00313271/step Wall: 2630.11, 0.00313271/step, 3.62681 hours remaining, 233.804688 MB of memory in use. ENERGY: 832200 3912.5398 20544.6205 14436.2428 244.4604 -203497.7236 2806.5678 0.0000 0.0000 51870.2196 -109683.0727 298.0989 -161553.2923 -109316.9110 298.9267 126.8780 160.2376 761682.8057 -15.6984 -15.6332 LDB: ============= START OF LOAD BALANCING ============== 2642.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2642.64 LDB: =============== DONE WITH MIGRATION ================ 2642.64 LDB: ============= START OF LOAD BALANCING ============== 2642.96 LDB: Largest compute 7070 load 0.033361 is 17.1% of average load 0.195266 LDB: Average compute 0.004405 is 2.3% of average load 0.195266 LDB: TIME 2642.96 LOAD: AVG 0.195266 MAX 0.216777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.242 MB LDB: TIME 2642.96 LOAD: AVG 0.195266 MAX 0.216777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: TIME 2642.96 LOAD: AVG 0.195266 MAX 0.216777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.242 MB LDB: ============== END OF LOAD BALANCING =============== 2642.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2642.97 PRESSURE: 832400 -144.788 -94.3305 -133.492 -94.3305 -10.3384 84.8611 -133.492 84.8621 -360.304 GPRESSURE: 832400 -83.8122 -67.8395 -217.877 -97.7385 -42.681 156.415 1.57904 89.4302 -324.676 PRESSAVG: 832400 33.4157 40.2311 -31.3757 40.2311 -25.4123 -39.8221 -31.3757 -39.822 5.20925 GPRESSAVG: 832400 33.577 40.0678 -30.865 40.798 -25.9398 -40.0344 -29.8365 -37.7334 5.65934 TIMING: 832400 CPU: 2630.75, 0.00319485/step Wall: 2630.75, 0.00319485/step, 3.69857 hours remaining, 233.601562 MB of memory in use. ENERGY: 832400 4021.2425 20527.2647 14511.9705 256.1595 -203593.1500 2651.5584 0.0000 0.0000 52088.0413 -109536.9132 299.3507 -161624.9544 -109180.0175 298.5136 -171.8101 -150.3897 762457.7023 4.4042 4.4322 PRESSURE: 832600 232.69 -70.0627 -18.5151 -70.0636 7.30764 158.797 -18.5156 158.796 -98.9363 GPRESSURE: 832600 178.88 -8.42461 -16.7202 62.4657 134.719 89.9987 51.1844 234.979 -84.9973 PRESSAVG: 832600 34.0697 -10.3058 17.0222 -10.3058 3.51136 25.9017 17.0222 25.9017 10.789 GPRESSAVG: 832600 34.138 -10.228 16.3187 -10.7178 4.28061 26.0987 16.351 26.8278 9.67688 TIMING: 832600 CPU: 2631.37, 0.00312266/step Wall: 2631.37, 0.00312266/step, 3.61483 hours remaining, 233.804688 MB of memory in use. ENERGY: 832600 4007.4009 20532.1996 14524.1356 260.8304 -203425.6398 2709.0356 0.0000 0.0000 52035.9879 -109356.0499 299.0515 -161392.0378 -108996.4653 298.8305 47.0206 76.2006 761665.1477 16.1234 16.0318 PRESSURE: 832800 -190.604 -65.9921 -116.684 -65.9925 -91.479 -80.9813 -116.683 -80.9813 165.926 GPRESSURE: 832800 -117.47 -135.174 -26.7384 -23.9975 -89.5252 -65.6301 -60.7641 -76.3478 196.545 PRESSAVG: 832800 54.0312 7.60163 -23.7934 7.60162 -34.7699 -58.176 -23.7933 -58.176 7.35352 GPRESSAVG: 832800 53.6984 8.32078 -24.2334 7.59948 -34.7978 -58.6824 -22.1851 -59.1947 7.86367 TIMING: 832800 CPU: 2632.01, 0.00315684/step Wall: 2632.01, 0.00315684/step, 3.65421 hours remaining, 233.804688 MB of memory in use. ENERGY: 832800 4014.5776 20480.9089 14401.0172 255.5540 -202847.7156 2310.7408 0.0000 0.0000 52093.3842 -109291.5330 299.3814 -161384.9171 -108927.7307 299.1636 -38.7189 -3.4835 761755.9170 8.8716 8.9214 PRESSURE: 833000 -31.179 10.2307 -341.76 10.2313 -57.4716 -130.243 -341.761 -130.242 -131.179 GPRESSURE: 833000 53.0588 58.3415 -265.687 -19.9258 -113.505 -67.4632 -346.169 -215.524 -89.1602 PRESSAVG: 833000 -6.53684 66.1409 1.31215 66.141 -24.2771 -78.8021 1.31217 -78.8022 -7.22877 GPRESSAVG: 833000 -5.66257 64.3438 2.43671 67.3267 -26.7512 -77.7781 -1.02194 -78.517 -6.45385 TIMING: 833000 CPU: 2632.64, 0.00315125/step Wall: 2632.64, 0.00315125/step, 3.64757 hours remaining, 233.804688 MB of memory in use. ENERGY: 833000 3984.3137 20551.7566 14423.3383 246.5031 -202981.6853 2413.9174 0.0000 0.0000 52500.8031 -108861.0532 301.7228 -161361.8563 -108503.4865 299.8452 -73.2764 -49.8688 763491.4299 -12.6809 -12.9559 PRESSURE: 833200 227.897 41.2153 51.6448 41.2154 -32.9458 85.2185 51.6451 85.2182 -55.119 GPRESSURE: 833200 249.317 10.6772 58.4024 -6.22203 -24.3874 90.3022 83.5701 91.3038 14.1771 PRESSAVG: 833200 26.9409 34.3318 -8.39211 34.3318 39.4703 18.9088 -8.39207 18.9087 14.8534 GPRESSAVG: 833200 24.986 36.2532 -9.20052 33.2575 40.9087 16.5535 -6.56781 22.0971 15.1502 TIMING: 833200 CPU: 2633.26, 0.00313357/step Wall: 2633.26, 0.00313357/step, 3.62693 hours remaining, 233.804688 MB of memory in use. ENERGY: 833200 3976.4246 20600.2923 14441.7336 248.8621 -203406.0722 2763.0552 0.0000 0.0000 52181.5784 -109194.1260 299.8882 -161375.7044 -108829.8663 300.2893 46.6106 79.7022 762189.2053 27.0882 27.0150 PRESSURE: 833400 -96.0444 -43.0687 27.2483 -43.0687 86.7148 30.3644 27.248 30.3647 -228.227 GPRESSURE: 833400 40.8861 -55.4969 38.6341 45.4604 87.3005 -51.1792 -56.4842 120.514 -258.936 PRESSAVG: 833400 -9.67549 -13.4257 37.7372 -13.4257 10.0903 -21.8378 37.7372 -21.8378 6.27249 GPRESSAVG: 833400 -7.70668 -16.0907 36.9721 -13.7936 9.38282 -19.1177 36.3792 -24.5665 5.13162 TIMING: 833400 CPU: 2633.9, 0.00316244/step Wall: 2633.9, 0.00316244/step, 3.66017 hours remaining, 233.804688 MB of memory in use. ENERGY: 833400 3968.7450 20547.9674 14418.0584 250.6879 -203102.3601 2699.8847 0.0000 0.0000 51977.7427 -109239.2740 298.7168 -161217.0168 -108876.1650 299.5388 -79.1855 -43.5832 764581.5105 2.2291 2.2693 PRESSURE: 833600 39.6553 1.69317 172.172 1.69386 21.2031 50.4794 172.173 50.4793 120.828 GPRESSURE: 833600 -18.1399 -122.115 160.382 27.1862 122.684 184.215 77.6734 64.5398 149.561 PRESSAVG: 833600 -72.7974 -8.71562 29.4031 -8.71554 80.1443 18.6154 29.4031 18.6154 19.993 GPRESSAVG: 833600 -72.971 -7.2188 30.4479 -8.46723 80.5827 19.8232 30.6394 19.7466 20.663 TIMING: 833600 CPU: 2634.53, 0.00316794/step Wall: 2634.53, 0.00316794/step, 3.66637 hours remaining, 233.804688 MB of memory in use. ENERGY: 833600 3958.4548 20658.0733 14377.8144 235.2805 -203110.0030 2515.9243 0.0000 0.0000 52072.5815 -109291.8742 299.2618 -161364.4557 -108930.9167 298.8734 60.5622 84.7016 763791.0750 9.1133 9.4249 PRESSURE: 833800 196.011 -171.276 -45.0958 -171.276 36.1343 329.058 -45.0948 329.058 39.7093 GPRESSURE: 833800 267.491 -138.228 65.5602 -333.115 84.0073 237.292 -105.562 224.748 5.30129 PRESSAVG: 833800 -44.0022 -28.7413 22.4997 -28.7413 19.8802 49.2407 22.4997 49.2407 0.133124 GPRESSAVG: 833800 -45.3484 -26.9088 22.0755 -28.5446 19.4681 46.4581 22.6132 48.2105 1.1443 TIMING: 833800 CPU: 2635.16, 0.00316159/step Wall: 2635.16, 0.00316159/step, 3.65883 hours remaining, 233.804688 MB of memory in use. ENERGY: 833800 3948.7836 20379.3387 14471.7599 241.2729 -203378.2057 2667.4223 0.0000 0.0000 52174.5357 -109495.0925 299.8478 -161669.6283 -109136.1608 299.1296 90.6181 118.9333 762592.2132 -7.9963 -8.2453 PRESSURE: 834000 -92.616 -106.649 -6.76095 -106.65 -36.3184 -108.221 -6.75994 -108.221 -312.484 GPRESSURE: 834000 -76.8783 -111.255 -67.9336 -108.869 55.6217 -122.496 84.5893 -198.831 -351.095 PRESSAVG: 834000 -20.9644 -31.776 -8.62131 -31.776 5.85468 -5.346 -8.62132 -5.34599 -4.03665 GPRESSAVG: 834000 -19.5356 -33.0639 -9.48366 -31.278 6.69771 -2.92123 -9.04147 -7.19981 -6.17901 TIMING: 834000 CPU: 2635.79, 0.00314603/step Wall: 2635.79, 0.00314603/step, 3.64066 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: 834000 3951.3051 20560.4910 14414.8461 261.0329 -203495.7406 2849.5426 0.0000 0.0000 51998.2436 -109460.2794 298.8346 -161458.5229 -109093.8085 298.9537 -147.1394 -124.1173 763587.6712 -6.3821 -6.3390 PRESSURE: 834200 32.4466 -296.433 134.791 -296.433 180.832 78.7063 134.791 78.7053 132.468 GPRESSURE: 834200 84.9736 -365.879 120.788 -56.1448 254.307 52.1403 64.8547 108.771 111.847 PRESSAVG: 834200 -5.79712 -10.6406 -20.3621 -10.6407 -23.0172 -7.95079 -20.3621 -7.95087 -8.31784 GPRESSAVG: 834200 -7.47277 -12.0991 -18.6818 -7.07791 -23.1845 -9.70222 -19.7634 -8.28218 -5.97152 TIMING: 834200 CPU: 2636.42, 0.00314307/step Wall: 2636.42, 0.00314307/step, 3.63705 hours remaining, 233.804688 MB of memory in use. ENERGY: 834200 3984.1538 20522.3985 14475.1750 238.4497 -203459.5869 2688.6965 0.0000 0.0000 51867.5097 -109683.2036 298.0833 -161550.7133 -109325.4592 298.5592 115.2489 150.3761 760841.1713 -12.3774 -12.2096 PRESSURE: 834400 273.309 42.5878 31.17 42.5867 312.765 -67.4842 31.1695 -67.484 104.374 GPRESSURE: 834400 254.942 38.9128 -3.85423 13.2584 342.925 -40.6646 36.1173 33.7817 172.201 PRESSAVG: 834400 43.2969 -36.3074 -26.9379 -36.3075 -31.7413 -29.3096 -26.9378 -29.3095 4.06633 GPRESSAVG: 834400 44.7908 -35.1084 -27.8481 -38.8804 -32.2983 -27.1053 -26.2553 -27.9098 2.43778 TIMING: 834400 CPU: 2637.05, 0.00314346/step Wall: 2637.05, 0.00314346/step, 3.63733 hours remaining, 233.804688 MB of memory in use. ENERGY: 834400 3982.5852 20486.1275 14420.4185 245.1761 -203414.2903 2813.1331 0.0000 0.0000 51785.3512 -109681.4987 297.6111 -161466.8499 -109329.1843 298.4178 230.1492 256.6892 761042.7098 5.2073 4.9768 PRESSURE: 834600 -162.369 86.2599 329.983 86.2599 -64.9713 92.7087 329.983 92.7089 -72.7844 GPRESSURE: 834600 -188.505 115.429 318.757 21.8423 -13.7973 103.709 223.648 112.555 -22.9385 PRESSAVG: 834600 9.59663 6.7184 40.6227 6.71834 -16.6861 -5.7899 40.6227 -5.78988 -16.0827 GPRESSAVG: 834600 8.98673 7.18564 40.2775 6.94709 -15.9407 -5.4362 39.1811 -5.61331 -16.2304 TIMING: 834600 CPU: 2637.67, 0.00313059/step Wall: 2637.67, 0.00313059/step, 3.62227 hours remaining, 233.804688 MB of memory in use. ENERGY: 834600 3938.7690 20516.7319 14498.8080 235.1741 -203487.9148 2654.3501 0.0000 0.0000 52110.9171 -109533.1645 299.4822 -161644.0815 -109163.5052 298.8750 -100.0415 -75.0803 762695.5125 -7.7241 -7.7281 PRESSURE: 834800 198.803 -83.286 -190.177 -83.286 -464.056 131.209 -190.176 131.209 154.756 GPRESSURE: 834800 177.223 -53.7149 -247.79 5.54314 -285.468 159.497 -71.5009 21.7959 104.189 PRESSAVG: 834800 -1.56523 3.71069 30.1399 3.71068 -17.7174 5.10875 30.1399 5.10876 19.2446 GPRESSAVG: 834800 -0.39913 3.07413 31.2462 4.24615 -18.6806 2.9917 29.996 7.00863 18.9309 TIMING: 834800 CPU: 2638.31, 0.00316525/step Wall: 2638.31, 0.00316525/step, 3.66219 hours remaining, 233.804688 MB of memory in use. ENERGY: 834800 3979.7821 20382.4871 14455.3556 259.8194 -203816.1817 2822.5015 0.0000 0.0000 52244.5248 -109671.7111 300.2500 -161916.2359 -109298.1468 298.6519 -36.8325 -1.3522 761728.9129 -0.0127 -0.0496 PRESSURE: 835000 -143.029 -29.4395 -142.948 -29.4397 -160.746 -293.246 -142.948 -293.246 153.745 GPRESSURE: 835000 -129.891 125.964 -76.964 47.0435 -62.7369 -237.807 -78.6662 -391.602 130.989 PRESSAVG: 835000 38.8954 10.1316 -17.7948 10.1315 -63.1666 -35.8587 -17.7948 -35.8586 8.50854 GPRESSAVG: 835000 37.4013 10.9336 -18.0516 9.14071 -61.1283 -35.844 -16.8633 -39.417 7.76571 TIMING: 835000 CPU: 2638.94, 0.00314689/step Wall: 2638.94, 0.00314689/step, 3.64077 hours remaining, 233.804688 MB of memory in use. ENERGY: 835000 3963.4115 20645.5459 14457.9109 228.9015 -203572.1279 2816.8583 0.0000 0.0000 52171.6312 -109287.8685 299.8311 -161459.4997 -108929.1047 299.3662 -50.0100 -20.5462 763200.5096 -5.2542 -5.3204 PRESSURE: 835200 435.117 -181.652 -153.761 -181.653 42.3241 -22.6853 -153.761 -22.6849 -161.16 GPRESSURE: 835200 470.086 31.4775 -32.5069 -153.978 20.4474 -107.682 -128.484 78.8362 -104.83 PRESSAVG: 835200 36.885 -31.2753 -26.3775 -31.2753 -14.4954 -8.16139 -26.3775 -8.16138 38.0393 GPRESSAVG: 835200 37.3995 -31.5523 -26.5443 -30.3395 -15.5142 -6.3328 -23.7635 -5.59181 39.34 TIMING: 835200 CPU: 2639.57, 0.00315288/step Wall: 2639.57, 0.00315288/step, 3.64753 hours remaining, 233.804688 MB of memory in use. ENERGY: 835200 3979.1172 20665.3927 14460.8296 251.8043 -203355.5339 2615.6555 0.0000 0.0000 52148.2100 -109234.5246 299.6965 -161382.7346 -108872.3500 299.7814 105.4272 128.5677 759139.1940 20.1430 20.4084 PRESSURE: 835400 75.4056 -206.082 33.5622 -206.083 -62.7015 -93.4062 33.562 -93.405 242.368 GPRESSURE: 835400 126.772 -142.475 95.1844 -274.781 -1.9665 -65.4672 3.33426 -149.683 228.881 PRESSAVG: 835400 37.5948 -21.1581 -15.1156 -21.1581 -46.8712 -43.0679 -15.1155 -43.0679 36.0254 GPRESSAVG: 835400 37.8416 -21.5598 -14.8013 -22.0996 -45.8085 -43.783 -17.3198 -43.1991 34.2252 TIMING: 835400 CPU: 2640.2, 0.00317194/step Wall: 2640.2, 0.00317194/step, 3.6694 hours remaining, 233.804688 MB of memory in use. ENERGY: 835400 3989.8789 20513.1179 14511.0058 247.1714 -203630.2851 2629.6330 0.0000 0.0000 52428.8865 -109310.5916 301.3095 -161739.4781 -108939.9530 300.1088 85.0241 117.8956 760072.5751 8.9163 8.7528 PRESSURE: 835600 220.894 -84.6146 -62.9732 -84.6146 -133.637 222.987 -62.9737 222.987 -23.3874 GPRESSURE: 835600 210.022 -88.3393 20.2288 -97.5751 -89.8428 100.023 -76.3701 327.393 21.7973 PRESSAVG: 835600 53.2038 -89.4776 -50.1072 -89.4776 -44.5067 -39.5016 -50.1071 -39.5016 9.68536 GPRESSAVG: 835600 53.9047 -88.8072 -48.2563 -90.4141 -45.319 -39.797 -51.6765 -40.6685 9.79913 TIMING: 835600 CPU: 2640.83, 0.00315508/step Wall: 2640.83, 0.00315508/step, 3.64973 hours remaining, 233.804688 MB of memory in use. ENERGY: 835600 4001.6050 20625.0543 14378.5122 232.3312 -203396.7583 2727.4207 0.0000 0.0000 52190.3183 -109241.5167 299.9385 -161431.8349 -108882.7600 300.0109 21.2899 47.3253 759740.1689 6.1275 6.1283 PRESSURE: 835800 -266.277 -34.831 -33.1838 -34.8307 337.72 -171.953 -33.1839 -171.954 110.054 GPRESSURE: 835800 -248.508 -14.5834 -39.3496 183.587 349.847 -246.07 85.8493 -177.241 165.891 PRESSAVG: 835800 -35.9016 -5.6771 -35.7373 -5.67707 44.9706 -30.9476 -35.7373 -30.9476 10.0354 GPRESSAVG: 835800 -36.5894 -5.70199 -37.7614 -3.52594 44.7963 -32.3602 -33.3489 -29.5923 10.8961 TIMING: 835800 CPU: 2641.47, 0.00319679/step Wall: 2641.47, 0.00319679/step, 3.6978 hours remaining, 233.804688 MB of memory in use. ENERGY: 835800 3988.8320 20525.5517 14485.1282 244.5714 -203342.9252 2672.7455 0.0000 0.0000 52097.0447 -109329.0517 299.4024 -161426.0964 -108967.2622 299.4131 60.4990 89.0770 760879.3285 6.3681 6.3677 PRESSURE: 836000 -180.505 -62.3651 -185.889 -62.3645 -171.83 -36.3163 -185.89 -36.3161 178.251 GPRESSURE: 836000 -128.987 -27.3258 -224.599 -23.9446 -117.19 17.5441 -97.6533 38.1994 149.6 PRESSAVG: 836000 -35.059 0.730108 -0.931362 0.730046 6.75409 -14.4097 -0.931368 -14.4097 -12.9714 GPRESSAVG: 836000 -36.3818 0.338788 -0.629034 1.59233 7.86068 -11.6637 -1.8322 -15.3235 -13.2938 TIMING: 836000 CPU: 2642.11, 0.00320329/step Wall: 2642.11, 0.00320329/step, 3.70514 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: 836000 4001.1667 20530.4425 14510.9469 253.6632 -203650.6820 2855.2948 0.0000 0.0000 52198.5700 -109300.5979 299.9859 -161499.1680 -108937.7849 299.9217 -58.0279 -32.1922 760750.0136 -13.7587 -13.9383 PRESSURE: 836200 -342.984 90.4573 -50.0048 90.4578 -54.8251 -215.788 -50.0047 -215.789 27.1272 GPRESSURE: 836200 -226.501 71.6543 31.9985 20.7048 -66.753 -190.99 -26.3787 -209.306 4.12826 PRESSAVG: 836200 58.6417 -25.6473 -9.23882 -25.6473 -88.5693 -44.4449 -9.23877 -44.4449 4.9774 GPRESSAVG: 836200 59.6548 -23.4734 -10.1299 -30.1781 -90.1084 -46.7842 -9.78333 -43.2084 5.38649 TIMING: 836200 CPU: 2642.75, 0.00319511/step Wall: 2642.75, 0.00319511/step, 3.6955 hours remaining, 233.804688 MB of memory in use. ENERGY: 836200 3980.7763 20670.4099 14503.2481 247.4751 -203297.1725 2426.5920 0.0000 0.0000 52003.5911 -109465.0801 298.8654 -161468.6712 -109111.7981 299.7377 -123.5606 -96.3751 762099.4677 -8.3167 -8.3557 LDB: ============= START OF LOAD BALANCING ============== 2655.29 LDB: ============== END OF LOAD BALANCING =============== 2655.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2655.29 LDB: ============= START OF LOAD BALANCING ============== 2655.61 LDB: Largest compute 7078 load 0.029521 is 15.1% of average load 0.195283 LDB: Average compute 0.004379 is 2.2% of average load 0.195283 LDB: TIME 2655.61 LOAD: AVG 0.195283 MAX 0.213866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.363 MB LDB: TIME 2655.61 LOAD: AVG 0.195283 MAX 0.213866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.363 MB LDB: TIME 2655.61 LOAD: AVG 0.195283 MAX 0.213866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.363 MB LDB: ============== END OF LOAD BALANCING =============== 2655.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2655.62 PRESSURE: 836400 -41.6059 -128.952 14.5528 -128.952 146.901 -124.516 14.5526 -124.516 55.0333 GPRESSURE: 836400 -33.5735 -149.551 -82.3018 -49.8265 235.923 -143.006 -25.9414 -190.458 27.9003 PRESSAVG: 836400 23.124 -14.0473 24.4063 -14.0473 -25.2468 -17.3433 24.4064 -17.3433 -26.2167 GPRESSAVG: 836400 23.8362 -16.4799 24.2921 -10.1794 -25.8976 -18.7416 26.814 -17.1533 -25.5585 TIMING: 836400 CPU: 2643.4, 0.00324615/step Wall: 2643.4, 0.00324615/step, 3.75435 hours remaining, 234.113281 MB of memory in use. ENERGY: 836400 3984.8613 20533.9806 14502.9073 243.7583 -203660.4092 2874.8026 0.0000 0.0000 51940.3745 -109579.7246 298.5020 -161520.0991 -109212.7446 299.6273 53.4429 76.7501 761954.6742 -9.4465 -9.2066 PRESSURE: 836600 193.566 17.984 -172.226 17.9839 195.287 171.036 -172.226 171.037 -173.503 GPRESSURE: 836600 329.58 69.8212 -142.147 34.0788 116.047 39.2921 -210.427 68.9203 -141.083 PRESSAVG: 836600 83.7142 21.3869 -9.72422 21.3869 -39.9844 -27.4393 -9.72424 -27.4392 -11.6722 GPRESSAVG: 836600 83.2056 20.9729 -8.96974 20.7514 -38.4276 -26.4604 -11.9183 -27.3135 -12.3509 TIMING: 836600 CPU: 2644.03, 0.00317245/step Wall: 2644.03, 0.00317245/step, 3.66894 hours remaining, 234.574219 MB of memory in use. ENERGY: 836600 3968.7852 20431.5349 14387.1608 254.3367 -203391.3838 2692.1826 0.0000 0.0000 52002.6976 -109654.6860 298.8602 -161657.3836 -109299.9533 299.2813 71.7834 101.5148 759979.0526 10.6859 10.8091 PRESSURE: 836800 -288.191 43.433 -70.4403 43.4336 -281.123 -141.165 -70.4402 -141.165 -207.545 GPRESSURE: 836800 -242.534 112.405 -124.623 -13.3588 -251.861 -186.475 19.7138 -53.3626 -209.082 PRESSAVG: 836800 -10.3681 -5.75511 0.196388 -5.75504 12.4097 -28.0275 0.19631 -28.0276 12.7846 GPRESSAVG: 836800 -9.87244 -5.73136 -1.30667 -7.80003 11.2996 -28.3418 2.20396 -26.9458 13.5858 TIMING: 836800 CPU: 2644.67, 0.00315922/step Wall: 2644.67, 0.00315922/step, 3.65346 hours remaining, 234.597656 MB of memory in use. ENERGY: 836800 4010.8810 20347.9712 14460.5594 242.9691 -203559.1215 2710.6569 0.0000 0.0000 52157.8587 -109628.2252 299.7519 -161786.0839 -109261.6580 299.2374 -258.9528 -234.4922 761064.9507 4.9421 5.0043 PRESSURE: 837000 160.659 80.1976 73.954 80.1985 -63.6474 91.7113 73.9529 91.712 -13.5435 GPRESSURE: 837000 140.778 81.9084 86.5463 126.583 -2.12355 0.666566 -13.4796 -19.3677 27.274 PRESSAVG: 837000 -29.5306 28.4142 -33.898 28.4143 36.3321 -29.539 -33.8979 -29.539 12.9461 GPRESSAVG: 837000 -29.9807 28.231 -32.476 30.9322 37.0337 -27.8343 -34.7683 -31.1089 12.4754 TIMING: 837000 CPU: 2645.3, 0.00316122/step Wall: 2645.3, 0.00316122/step, 3.65559 hours remaining, 234.597656 MB of memory in use. ENERGY: 837000 4000.2512 20518.2557 14442.3329 236.0988 -203518.5550 2730.5332 0.0000 0.0000 52076.6634 -109514.4198 299.2853 -161591.0832 -109149.4698 298.9101 27.8225 55.3094 760953.8012 6.5825 6.5094 PRESSURE: 837200 -159.522 183.555 -28.6533 183.555 -194.758 -121.382 -28.6536 -121.382 -96.8527 GPRESSURE: 837200 -119.003 121.445 42.2668 144.607 -231.56 -69.9396 -84.8184 -31.7008 -5.01147 PRESSAVG: 837200 20.7344 28.8891 -30.3652 28.8891 -6.07696 -6.77693 -30.3651 -6.77697 16.7906 GPRESSAVG: 837200 20.1295 28.2037 -30.0579 28.8921 -5.24467 -8.28819 -31.3839 -8.10664 17.1365 TIMING: 837200 CPU: 2645.93, 0.00316762/step Wall: 2645.93, 0.00316762/step, 3.66283 hours remaining, 234.855469 MB of memory in use. ENERGY: 837200 4060.8422 20545.3642 14459.7446 239.7210 -203375.5091 2559.0793 0.0000 0.0000 52029.2031 -109481.5546 299.0125 -161510.7578 -109120.7082 299.3201 -150.3777 -118.5250 760638.5093 10.4827 10.6738 PRESSURE: 837400 -58.4221 102.604 259.526 102.605 -22.6192 12.9241 259.526 12.9236 -107.573 GPRESSURE: 837400 -7.26159 100.614 238.503 85.3357 -38.9144 67.6662 101.981 151.356 -60.402 PRESSAVG: 837400 -67.7865 1.32208 -9.52661 1.32209 14.0414 1.68417 -9.52662 1.68415 3.42649 GPRESSAVG: 837400 -66.9418 4.30709 -10.8416 -0.870964 13.2073 3.43365 -8.12088 2.81239 3.09664 TIMING: 837400 CPU: 2646.56, 0.00315847/step Wall: 2646.56, 0.00315847/step, 3.65207 hours remaining, 234.855469 MB of memory in use. ENERGY: 837400 3945.5874 20442.3841 14390.2137 256.7158 -202902.5375 2304.2467 0.0000 0.0000 52091.5437 -109471.8461 299.3708 -161563.3897 -109103.4712 299.3708 -62.8715 -35.5260 761643.3990 -16.7729 -16.8793 PRESSURE: 837600 -148.84 -57.6842 57.9677 -57.6847 32.8426 -47.539 57.9676 -47.5392 470.734 GPRESSURE: 837600 -105.859 -124.852 66.5783 25.6154 107.906 -37.3819 131.4 -125.181 436.775 PRESSAVG: 837600 -5.80086 72.414 46.2446 72.414 7.36213 -5.57865 46.2447 -5.57862 -5.13438 GPRESSAVG: 837600 -7.55991 71.7582 45.5709 73.8846 8.63307 -8.02735 46.1225 -4.78578 -5.28392 TIMING: 837600 CPU: 2647.19, 0.00314928/step Wall: 2647.19, 0.00314929/step, 3.64128 hours remaining, 234.867188 MB of memory in use. ENERGY: 837600 3962.5975 20655.3153 14510.4109 254.9975 -203362.7962 2549.9863 0.0000 0.0000 52158.4537 -109271.0349 299.7554 -161429.4887 -108913.0175 299.1908 118.2454 146.2739 760345.5312 -1.1910 -1.4036 PRESSURE: 837800 306.767 80.6584 -16.328 80.6577 103.911 -129.148 -16.3274 -129.148 -317.826 GPRESSURE: 837800 264.368 103.595 -36.8858 94.7943 138.117 -85.4966 -63.7783 -63.9381 -220.002 PRESSAVG: 837800 -61.4599 -41.9932 30.4251 -41.9932 36.3248 40.5173 30.425 40.5172 19.7841 GPRESSAVG: 837800 -61.0529 -44.8339 31.8071 -42.7258 36.6291 42.3729 30.2323 39.2633 19.7368 TIMING: 837800 CPU: 2647.82, 0.00314266/step Wall: 2647.82, 0.00314266/step, 3.63343 hours remaining, 234.925781 MB of memory in use. ENERGY: 837800 3965.7438 20531.4830 14431.7531 264.7255 -203326.0190 2663.3667 0.0000 0.0000 51935.7094 -109533.2374 298.4752 -161468.9468 -109166.8370 299.1207 30.9508 60.8278 761633.1407 -1.7837 -1.5623 PRESSURE: 838000 73.4008 -84.1918 -218.172 -84.1918 -205 -110.243 -218.173 -110.243 258.047 GPRESSURE: 838000 28.8342 -59.2522 -157.001 -111.285 -29.6192 -97.8149 -259.61 -79.7176 244.302 PRESSAVG: 838000 6.42903 -7.63356 -17.5262 -7.63348 -21.7294 47.8142 -17.5261 47.8142 -12.3991 GPRESSAVG: 838000 7.08735 -6.53145 -17.5508 -7.09151 -22.3868 48.1502 -17.7014 49.015 -12.1822 TIMING: 838000 CPU: 2648.45, 0.00313025/step Wall: 2648.45, 0.00313025/step, 3.61892 hours remaining, 234.925781 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: 838000 4079.7938 20419.8815 14401.8211 252.4028 -204063.3534 3394.5093 0.0000 0.0000 52067.1429 -109447.8020 299.2306 -161514.9448 -109099.1913 298.8052 42.1491 81.1725 762801.2025 -9.2331 -9.1605 PRESSURE: 838200 321.214 150.5 -322.714 150.499 500.213 131.557 -322.714 131.557 72.0826 GPRESSURE: 838200 305.565 75.4209 -329.349 192.959 597.417 189.473 -154.022 15.2193 59.7438 PRESSAVG: 838200 -11.0583 29.4417 -51.675 29.4417 46.8094 43.2524 -51.6751 43.2524 14.8398 GPRESSAVG: 838200 -11.7943 28.6425 -50.9019 30.8673 46.759 42.4458 -51.3527 41.2906 14.8644 TIMING: 838200 CPU: 2649.08, 0.00315333/step Wall: 2649.08, 0.00315333/step, 3.64542 hours remaining, 234.937500 MB of memory in use. ENERGY: 838200 3936.1367 20610.3831 14487.2829 242.6031 -203293.8290 2635.6708 0.0000 0.0000 51995.8224 -109385.9299 298.8207 -161381.7523 -109015.9251 299.1425 297.8366 320.9086 760873.6556 16.8637 16.6097 PRESSURE: 838400 -250.409 36.365 7.0802 36.3644 145.617 9.68765 7.07957 9.68827 -294.092 GPRESSURE: 838400 -248.658 23.4436 61.9282 -71.2887 251.922 168.93 -2.99358 0.923097 -322.952 PRESSAVG: 838400 -61.3412 21.914 43.4541 21.914 58.3459 83.0206 43.4541 83.0207 -45.8684 GPRESSAVG: 838400 -61.7042 23.8908 42.8681 20.5205 57.9457 83.6569 42.6808 82.4115 -44.9102 TIMING: 838400 CPU: 2649.71, 0.00315009/step Wall: 2649.71, 0.00315009/step, 3.6415 hours remaining, 234.937500 MB of memory in use. ENERGY: 838400 3928.5231 20463.4504 14426.4943 248.0788 -203071.6806 2486.5356 0.0000 0.0000 51903.0986 -109615.4997 298.2878 -161518.5983 -109247.9744 298.9230 -132.9615 -106.5626 761493.0887 -16.2879 -16.2229 PRESSURE: 838600 31.0408 183.151 4.48552 183.151 253.245 -219.264 4.48564 -219.265 -47.6474 GPRESSURE: 838600 71.0245 138.698 59.2508 98.023 274.474 -216.582 43.9413 -187.483 -31.8809 PRESSAVG: 838600 -17.2401 -4.93653 13.7578 -4.93651 90.277 -51.8253 13.7578 -51.8252 25.7939 GPRESSAVG: 838600 -17.4759 -4.30836 13.5913 -4.85356 90.3351 -52.8198 15.5661 -48.4897 25.4499 TIMING: 838600 CPU: 2650.34, 0.00314875/step Wall: 2650.34, 0.00314875/step, 3.63979 hours remaining, 234.937500 MB of memory in use. ENERGY: 838600 3907.9726 20451.3840 14421.8451 298.6836 -203282.3342 2453.4074 0.0000 0.0000 51995.0327 -109754.0089 298.8162 -161749.0417 -109387.7969 298.6308 78.8795 104.5392 759363.1147 32.9436 32.7697 PRESSURE: 838800 36.2531 -24.4124 -41.9095 -24.4135 206.44 80.133 -41.9093 80.1331 55.2996 GPRESSURE: 838800 141.061 -5.76573 -87.2842 -51.0433 186.347 45.5069 -123.976 16.749 48.7324 PRESSAVG: 838800 -27.2549 -26.3483 24.8893 -26.3483 43.2094 17.0011 24.8893 17.0012 -14.0907 GPRESSAVG: 838800 -26.3928 -26.1833 25.4884 -28.2064 42.4956 18.2856 25.6068 15.5003 -13.9453 TIMING: 838800 CPU: 2650.97, 0.00315/step Wall: 2650.97, 0.00315/step, 3.64105 hours remaining, 234.937500 MB of memory in use. ENERGY: 838800 3931.9956 20276.5158 14418.6621 252.3787 -203540.8981 2872.2368 0.0000 0.0000 52035.0550 -109754.0542 299.0462 -161789.1092 -109391.7569 298.2033 99.3308 125.3798 760182.4702 0.6213 0.7192 PRESSURE: 839000 -383.142 81.4747 132.828 81.4738 -17.3222 -8.63582 132.827 -8.6363 66.4095 GPRESSURE: 839000 -316.009 139.363 170.093 132.385 37.6424 8.22791 -61.3236 -60.6464 28.8896 PRESSAVG: 839000 4.02301 2.87211 35.1732 2.87211 -15.9921 -2.88752 35.1733 -2.88748 -13.1452 GPRESSAVG: 839000 4.11068 1.83731 34.9044 3.57896 -14.8404 -4.93511 32.3788 -0.771841 -14.1179 TIMING: 839000 CPU: 2651.59, 0.00312339/step Wall: 2651.59, 0.00312339/step, 3.61012 hours remaining, 234.937500 MB of memory in use. ENERGY: 839000 4032.6266 20604.6141 14506.9938 263.6161 -203164.1649 2573.2237 0.0000 0.0000 51851.8678 -109331.2227 297.9934 -161183.0906 -108972.6967 298.7278 -111.3516 -83.1591 761490.1140 -8.3714 -8.2825 PRESSURE: 839200 94.3335 -111.519 -104.935 -111.518 151.114 142.301 -104.936 142.302 -264.342 GPRESSURE: 839200 146.946 -145.305 -152.604 -91.9462 192.111 148.825 -126.547 170.635 -266.476 PRESSAVG: 839200 3.67785 19.3459 77.1243 19.3459 12.0321 58.1528 77.1243 58.1528 -10.72 GPRESSAVG: 839200 2.8353 20.2362 77.7295 20.795 12.5783 59.3115 78.8772 57.4427 -10.4488 TIMING: 839200 CPU: 2652.22, 0.00313993/step Wall: 2652.22, 0.00313993/step, 3.62907 hours remaining, 234.937500 MB of memory in use. ENERGY: 839200 4022.9347 20445.8494 14491.4133 268.6885 -202996.5836 2329.4015 0.0000 0.0000 52051.1384 -109387.1577 299.1386 -161438.2960 -109022.4423 299.4507 -6.2982 24.1935 761264.0477 1.6633 1.6549 PRESSURE: 839400 310.095 137.076 39.4059 137.076 -39.0504 -41.8368 39.4059 -41.8369 186.65 GPRESSURE: 839400 296.961 94.7331 90.4922 209.288 52.031 -59.2393 173.814 -1.94162 201.733 PRESSAVG: 839400 9.5574 -32.1411 50.8968 -32.1411 26.9248 32.6832 50.8968 32.6831 -7.27863 GPRESSAVG: 839400 9.25096 -31.7886 51.4651 -34.5424 27.3822 33.5241 49.6146 31.3207 -7.2303 TIMING: 839400 CPU: 2652.85, 0.00313428/step Wall: 2652.85, 0.00313428/step, 3.62236 hours remaining, 234.937500 MB of memory in use. ENERGY: 839400 3919.8906 20629.5874 14507.5701 259.1918 -203831.2512 3010.6517 0.0000 0.0000 52120.5647 -109383.7949 299.5376 -161504.3596 -109016.0908 299.0407 152.5650 183.5750 760358.5089 9.7345 9.8009 PRESSURE: 839600 -163.054 145.85 -19.7367 145.85 -218.786 -139.083 -19.7373 -139.082 119.082 GPRESSURE: 839600 -91.5292 73.1857 -4.75997 97.5665 -151.06 -78.8771 95.4111 -185.413 75.077 PRESSAVG: 839600 48.7417 -29.4202 49.0234 -29.4201 -46.8189 32.6298 49.0234 32.6297 -16.3718 GPRESSAVG: 839600 49.1133 -32.3033 47.5358 -27.9132 -47.7294 30.7623 51.8648 33.0672 -15.7496 TIMING: 839600 CPU: 2653.48, 0.00316972/step Wall: 2653.48, 0.00316972/step, 3.66314 hours remaining, 234.937500 MB of memory in use. ENERGY: 839600 3937.8184 20474.4189 14489.7631 250.7482 -203524.7017 2880.3240 0.0000 0.0000 52210.0683 -109281.5608 300.0520 -161491.6291 -108916.4725 299.6934 -87.5862 -55.8375 762903.6591 -4.8163 -4.7886 PRESSURE: 839800 -308.848 -290.637 -66.1253 -290.636 -582.91 39.7219 -66.1245 39.7226 -6.50721 GPRESSURE: 839800 -327.549 -165.56 -51.9664 -297.438 -562.006 22.8413 -72.1093 26.6272 71.7218 PRESSAVG: 839800 5.97294 -6.79674 15.8412 -6.79674 -37.3067 -31.815 15.8412 -31.815 -13.1879 GPRESSAVG: 839800 5.47785 -4.22967 15.2274 -6.31706 -37.2236 -32.5194 15.8924 -31.275 -12.6271 TIMING: 839800 CPU: 2654.11, 0.00315897/step Wall: 2654.11, 0.00315897/step, 3.65054 hours remaining, 234.937500 MB of memory in use. ENERGY: 839800 4070.2151 20741.7934 14432.8445 247.6310 -203147.5428 2414.8123 0.0000 0.0000 51979.8094 -109260.4371 298.7287 -161240.2465 -108888.0134 299.3328 -299.4217 -272.6111 763060.8269 -14.8405 -14.7909 PRESSURE: 840000 288.325 -3.69126 153.697 -3.6913 -171.046 -122.32 153.696 -122.319 -164.174 GPRESSURE: 840000 260.878 5.65071 150.146 28.7909 -79.3658 -135.488 151.353 -63.8545 -149.953 PRESSAVG: 840000 -37.6049 5.98205 5.19624 5.98207 61.7512 -16.7525 5.19626 -16.7525 17.8126 GPRESSAVG: 840000 -37.6777 6.86815 7.60995 4.69501 62.4082 -15.6147 2.87078 -16.6893 17.5442 TIMING: 840000 CPU: 2654.75, 0.00315485/step Wall: 2654.75, 0.00315485/step, 3.6456 hours remaining, 234.937500 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: 840000 4051.7377 20564.4529 14412.8225 246.0662 -203695.4742 2631.1776 0.0000 0.0000 52259.6871 -109529.5302 300.3371 -161789.2174 -109165.0405 299.6350 -15.6319 10.5198 761109.3339 13.9863 14.0916 PRESSURE: 840200 10.9968 -128.302 -80.4458 -128.302 264.974 203.422 -80.4464 203.424 497.375 GPRESSURE: 840200 14.9316 -96.682 -142.769 -105.348 268.55 147.071 -95.5021 196.686 551.469 PRESSAVG: 840200 -33.3681 47.1233 2.97312 47.1233 32.3497 9.16381 2.97316 9.16378 17.3382 GPRESSAVG: 840200 -31.7052 45.028 1.95282 45.7156 31.8578 10.0197 1.59084 7.83928 16.7512 TIMING: 840200 CPU: 2655.38, 0.00318307/step Wall: 2655.38, 0.00318307/step, 3.67804 hours remaining, 234.937500 MB of memory in use. ENERGY: 840200 3989.1542 20577.1765 14427.5627 259.9251 -203654.3609 2990.6829 0.0000 0.0000 52103.4773 -109306.3821 299.4394 -161409.8594 -108947.0695 299.6000 257.7819 278.3171 761386.5431 5.4399 5.6346 LDB: ============= START OF LOAD BALANCING ============== 2667.91 LDB: ============== END OF LOAD BALANCING =============== 2667.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2667.92 LDB: ============= START OF LOAD BALANCING ============== 2668.23 LDB: Largest compute 7058 load 0.029985 is 15.4% of average load 0.195184 LDB: Average compute 0.004390 is 2.2% of average load 0.195184 LDB: TIME 2668.24 LOAD: AVG 0.195184 MAX 0.216484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.355 MB LDB: TIME 2668.24 LOAD: AVG 0.195184 MAX 0.216484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: TIME 2668.24 LOAD: AVG 0.195184 MAX 0.216484 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.355 MB LDB: ============== END OF LOAD BALANCING =============== 2668.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2668.24 PRESSURE: 840400 -42.2125 103.769 -35.7186 103.768 197.08 91.1672 -35.7195 91.1656 5.84174 GPRESSURE: 840400 -42.5745 80.7087 -13.3019 17.4447 231.578 112.159 -35.7656 -39.9474 31.0244 PRESSAVG: 840400 -36.6528 2.78701 7.80689 2.787 40.0684 26.5002 7.80689 26.5002 -11.8543 GPRESSAVG: 840400 -37.4316 5.10636 7.72039 4.01728 40.5401 25.1486 10.5098 26.4483 -11.8803 TIMING: 840400 CPU: 2656.03, 0.0032266/step Wall: 2656.03, 0.0032266/step, 3.72816 hours remaining, 233.832031 MB of memory in use. ENERGY: 840400 3998.2318 20583.4388 14501.7340 241.4647 -203629.5127 2903.3377 0.0000 0.0000 52040.6156 -109360.6901 299.0781 -161401.3057 -109007.2192 299.3231 53.5698 73.3426 760387.0946 -2.8129 -2.9239 PRESSURE: 840600 -434.052 -129.251 -50.9165 -129.251 -159.203 -11.2067 -50.9171 -11.2062 -310.015 GPRESSURE: 840600 -372.384 -245.561 -62.7857 -71.5224 -114.701 -97.4808 -8.87985 93.4819 -336.635 PRESSAVG: 840600 18.389 1.45613 20.2385 1.45616 -16.5778 10.6798 20.2384 10.6798 -6.07208 GPRESSAVG: 840600 17.7281 -1.18924 20.0932 0.734865 -16.0965 11.3873 20.4629 9.34131 -5.64458 TIMING: 840600 CPU: 2656.66, 0.00315816/step Wall: 2656.66, 0.00315816/step, 3.6489 hours remaining, 233.832031 MB of memory in use. ENERGY: 840600 3951.2912 20621.4706 14419.8304 241.4763 -202954.2238 2376.2722 0.0000 0.0000 52028.9571 -109314.9261 299.0111 -161343.8831 -108947.3998 299.9255 -301.0901 -274.5734 763505.0971 -1.4203 -1.3377 PRESSURE: 840800 -89.6884 -120.794 -103.664 -120.794 -327.073 -262.998 -103.665 -262.998 245.306 GPRESSURE: 840800 -71.191 -215.989 -162.963 -59.0224 -297.744 -228.979 8.97671 -98.091 283.605 PRESSAVG: 840800 2.77293 14.6159 -11.5787 14.6159 3.49227 5.2671 -11.5787 5.26708 -4.7668 GPRESSAVG: 840800 2.97819 17.0055 -12.2683 14.1023 2.36932 6.04644 -11.6231 5.94257 -4.17127 TIMING: 840800 CPU: 2657.29, 0.0031539/step Wall: 2657.29, 0.0031539/step, 3.6438 hours remaining, 233.890625 MB of memory in use. ENERGY: 840800 4056.7567 20417.0278 14454.7736 238.2980 -202882.0369 2301.4632 0.0000 0.0000 52170.6835 -109243.0342 299.8256 -161413.7177 -108891.3114 299.0554 -57.1516 -28.4434 762399.7065 0.4995 0.3921 PRESSURE: 841000 125.022 -74.2098 124.795 -74.2103 377.939 -257.213 124.796 -257.214 -162.014 GPRESSURE: 841000 200.931 -171.812 123.131 -13.4051 397.179 -294.3 98.2175 -178.923 -166.719 PRESSAVG: 841000 38.1169 -3.37288 5.64501 -3.37292 -40.8154 28.8088 5.64505 28.8089 3.82577 GPRESSAVG: 841000 38.8644 -5.46732 7.74762 0.865669 -40.7012 27.5585 6.31529 30.0988 3.25551 TIMING: 841000 CPU: 2657.93, 0.00318121/step Wall: 2657.93, 0.00318121/step, 3.67518 hours remaining, 233.957031 MB of memory in use. ENERGY: 841000 3948.6048 20404.1054 14408.0027 249.5010 -203235.2214 3002.1884 0.0000 0.0000 51918.4918 -109304.3272 298.3763 -161222.8190 -108941.6798 299.2582 113.6488 143.7967 762248.3425 0.3758 0.4729 PRESSURE: 841200 -101.324 78.8152 -35.7826 78.8158 54.9865 62.9362 -35.7822 62.937 181.364 GPRESSURE: 841200 2.74216 93.5481 -141.645 28.4915 41.7572 84.1942 9.64505 159.428 164.809 PRESSAVG: 841200 49.6816 -24.7169 12.447 -24.7169 -7.2494 -8.46488 12.447 -8.46488 -33.4366 GPRESSAVG: 841200 51.7318 -21.3355 11.2954 -27.7405 -8.04257 -8.48297 11.0146 -8.78914 -33.9201 TIMING: 841200 CPU: 2658.56, 0.00317967/step Wall: 2658.56, 0.00317967/step, 3.67322 hours remaining, 233.957031 MB of memory in use. ENERGY: 841200 3909.9434 20673.9332 14452.7855 231.9586 -203428.1761 2743.9111 0.0000 0.0000 52098.2446 -109317.3997 299.4093 -161415.6443 -108965.8726 299.3394 45.0087 69.7695 762177.4087 2.9985 3.2564 PRESSURE: 841400 -107.488 -87.2112 -77.7219 -87.2107 -147.937 -125.964 -77.7229 -125.963 -310.86 GPRESSURE: 841400 -140.121 -85.7174 -77.9532 -9.96788 -102.067 -57.32 -35.9303 -124.203 -243.65 PRESSAVG: 841400 -47.1081 -12.9124 30.322 -12.9124 40.758 35.1771 30.322 35.1772 12.4567 GPRESSAVG: 841400 -48.404 -15.8175 31.2597 -13.4568 40.6332 34.4089 28.1916 35.6504 13.3291 TIMING: 841400 CPU: 2659.19, 0.00316059/step Wall: 2659.19, 0.00316059/step, 3.651 hours remaining, 233.957031 MB of memory in use. ENERGY: 841400 4037.5510 20726.5939 14446.9136 249.4928 -203280.6523 2701.6505 0.0000 0.0000 52156.4687 -108961.9817 299.7439 -161118.4504 -108610.4064 299.9016 -188.7615 -161.9457 762821.1023 2.0355 1.8528 PRESSURE: 841600 -581.884 18.9586 21.3937 18.9582 60.4048 50.6475 21.3946 50.6485 -6.73112 GPRESSURE: 841600 -477.613 86.2531 -24.9592 113.072 61.2337 -28.4432 117.51 83.0657 -32.8096 PRESSAVG: 841600 53.0405 -8.67972 102.61 -8.67974 -21.8547 -43.336 102.61 -43.336 -13.3177 GPRESSAVG: 841600 52.3348 -8.79305 101.346 -4.94993 -20.7899 -44.0577 104.252 -44.2256 -13.7564 TIMING: 841600 CPU: 2659.83, 0.00316824/step Wall: 2659.83, 0.00316824/step, 3.65967 hours remaining, 233.957031 MB of memory in use. ENERGY: 841600 4047.9985 20519.7062 14488.3095 238.6412 -202847.0285 2087.6483 0.0000 0.0000 52349.0551 -109115.6698 300.8507 -161464.7249 -108747.9290 300.0770 -176.0700 -149.7297 760699.3315 5.9561 5.9295 PRESSURE: 841800 -418.134 -48.8067 -2.12506 -48.8071 -646.868 52.7489 -2.12521 52.7496 -493.131 GPRESSURE: 841800 -434.519 -109.968 -28.701 -65.4265 -560.014 29.683 -146.702 154.899 -486.183 PRESSAVG: 841800 -3.66752 -10.9113 58.5903 -10.9114 -18.1952 15.4758 58.5903 15.4758 28.8828 GPRESSAVG: 841800 -2.36319 -10.9702 60.1456 -13.6939 -18.325 16.0905 58.1874 15.2532 27.9221 TIMING: 841800 CPU: 2660.46, 0.00316197/step Wall: 2660.46, 0.00316197/step, 3.65225 hours remaining, 233.957031 MB of memory in use. ENERGY: 841800 4026.8692 20657.7181 14412.0951 258.5907 -202739.5033 2334.1546 0.0000 0.0000 52095.8394 -108954.2362 299.3955 -161050.0756 -108606.0121 300.2615 -519.3777 -493.5720 763549.5931 2.3401 2.4113 PRESSURE: 842000 -628.688 156.125 -20.8309 156.126 9.8288 -17.8211 -20.8307 -17.8209 -160.43 GPRESSURE: 842000 -552.562 121.826 -12.8847 163.787 26.2102 72.2365 -75.2833 -48.1348 -144.094 PRESSAVG: 842000 -14.2298 40.5209 31.3952 40.5209 1.47044 -40.7697 31.3952 -40.7697 -4.15564 GPRESSAVG: 842000 -13.3609 40.1715 32.3843 39.629 0.127651 -40.7801 31.2392 -41.6139 -2.9832 TIMING: 842000 CPU: 2661.09, 0.00316622/step Wall: 2661.09, 0.00316622/step, 3.65699 hours remaining, 233.957031 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: 842000 4090.6654 20572.6361 14436.9833 234.4963 -203067.7021 2436.1877 0.0000 0.0000 52338.4676 -108958.2657 300.7899 -161296.7333 -108597.9846 300.4137 -259.7631 -223.4820 763089.4535 -5.6383 -5.4055 PRESSURE: 842200 326.513 -83.0767 -119.24 -83.0772 161.846 -33.4465 -119.239 -33.4454 -210.244 GPRESSURE: 842200 392.323 -39.3772 -78.5057 -44.9093 91.5616 -43.7073 -119.202 -99.8766 -130.83 PRESSAVG: 842200 19.1934 20.7677 16.7019 20.7676 -19.373 -8.98175 16.7019 -8.98178 6.24536 GPRESSAVG: 842200 18.7279 22.3162 13.5332 21.9098 -18.4849 -9.26657 18.1237 -7.86457 6.60174 TIMING: 842200 CPU: 2661.73, 0.00316167/step Wall: 2661.73, 0.00316167/step, 3.65155 hours remaining, 233.957031 MB of memory in use. ENERGY: 842200 3989.8721 20602.8727 14506.4264 261.1171 -203542.5359 2812.2670 0.0000 0.0000 52467.6456 -108902.3350 301.5323 -161369.9806 -108538.0431 300.7479 92.7051 117.6849 760605.8649 2.0219 2.2816 PRESSURE: 842400 -302.732 -92.4946 -59.933 -92.4951 -361.899 112.349 -59.9334 112.35 -434.349 GPRESSURE: 842400 -252.162 -16.2683 -7.32156 15.9256 -319.985 102.389 -117.04 8.67364 -445.773 PRESSAVG: 842400 40.5033 -8.80218 9.66682 -8.80215 -43.6548 -26.1262 9.66679 -26.1263 6.08718 GPRESSAVG: 842400 40.3287 -9.51521 11.9618 -8.59376 -43.2809 -26.5296 6.88263 -26.0316 6.12495 TIMING: 842400 CPU: 2662.36, 0.00317013/step Wall: 2662.36, 0.00317013/step, 3.66115 hours remaining, 233.957031 MB of memory in use. ENERGY: 842400 3999.5795 20564.7378 14481.0210 255.1913 -203237.7189 2581.2652 0.0000 0.0000 52409.9842 -108945.9399 301.2009 -161355.9241 -108578.6430 299.9888 -366.3265 -339.3067 764082.4178 0.9786 1.0576 PRESSURE: 842600 258.896 -73.8675 -1.18565 -73.8674 -350.566 74.1925 -1.18581 74.1926 343.868 GPRESSURE: 842600 305.128 -125.613 -106.677 -128.041 -329.553 111.46 84.3493 -20.6661 366.774 PRESSAVG: 842600 29.808 -15.1224 -9.05964 -15.1224 -66.6056 -2.72008 -9.05971 -2.72009 -24.8844 GPRESSAVG: 842600 29.6136 -16.4174 -10.2617 -15.5974 -66.3293 -1.08207 -6.95334 -4.57975 -24.6916 TIMING: 842600 CPU: 2662.99, 0.003165/step Wall: 2662.99, 0.003165/step, 3.65505 hours remaining, 233.957031 MB of memory in use. ENERGY: 842600 4039.3672 20519.3174 14386.4324 240.9632 -203674.7360 3067.4796 0.0000 0.0000 52290.1871 -109130.9890 300.5124 -161421.1761 -108767.7866 299.8756 84.0661 114.1165 763060.9130 -20.5607 -20.4691 PRESSURE: 842800 -454.146 61.8724 186.584 61.8725 -123.344 212.162 186.584 212.162 -242.984 GPRESSURE: 842800 -351.103 106.754 215.383 72.4068 -107.538 220.055 231.768 291.695 -281.33 PRESSAVG: 842800 34.916 23.9069 50.2376 23.9069 -22.1898 10.0292 50.2376 10.0293 17.4831 GPRESSAVG: 842800 35.6205 25.4612 51.3742 24.5432 -22.5601 8.81455 49.0118 10.0612 17.5216 TIMING: 842800 CPU: 2663.63, 0.00316612/step Wall: 2663.63, 0.00316612/step, 3.65617 hours remaining, 233.957031 MB of memory in use. ENERGY: 842800 3981.0655 20793.2306 14365.3806 236.3480 -203308.1283 2737.6611 0.0000 0.0000 52037.8113 -109156.6311 299.0620 -161194.4424 -108796.6458 299.5459 -273.4910 -246.6570 762129.3833 10.0698 10.1940 PRESSURE: 843000 300.93 45.2823 -363.524 45.2832 392.633 -48.1819 -363.525 -48.1817 243.732 GPRESSURE: 843000 402.624 -45.81 -278.252 78.3845 299.796 -62.4115 -223.06 93.269 319.771 PRESSAVG: 843000 24.2172 27.0135 16.6908 27.0136 -26.8746 3.27494 16.6908 3.27494 8.82484 GPRESSAVG: 843000 25.0545 27.4655 15.8137 26.457 -26.6951 2.89201 17.3282 4.8763 8.13443 TIMING: 843000 CPU: 2664.26, 0.00315315/step Wall: 2664.26, 0.00315315/step, 3.64101 hours remaining, 233.957031 MB of memory in use. ENERGY: 843000 4007.2895 20683.1609 14425.4117 240.5551 -203539.7980 2931.8257 0.0000 0.0000 52148.8906 -109102.6645 299.7004 -161251.5551 -108748.0255 299.2275 312.4314 340.7304 762311.1460 2.0558 2.1646 PRESSURE: 843200 -276.673 376.142 -112.73 376.142 -317.952 -18.2209 -112.73 -18.2209 -173.024 GPRESSURE: 843200 -138.037 259.399 -104.838 324.535 -293.113 14.2345 -72.3369 -34.55 -229.504 PRESSAVG: 843200 -21.682 20.3188 -5.99098 20.3189 9.69502 10.0037 -5.99092 10.0037 -0.931085 GPRESSAVG: 843200 -22.9886 20.3248 -7.16132 19.5395 10.3489 10.0612 -7.68913 7.75372 -0.0252343 TIMING: 843200 CPU: 2664.89, 0.00316162/step Wall: 2664.89, 0.00316162/step, 3.65062 hours remaining, 233.957031 MB of memory in use. ENERGY: 843200 4010.0944 20657.2053 14456.8516 249.7213 -202620.4886 2172.1541 0.0000 0.0000 52085.7663 -108988.6957 299.3376 -161074.4619 -108625.5776 299.9430 -255.8833 -220.2183 762548.1266 -4.3060 -4.2217 PRESSURE: 843400 -154.123 -5.18182 -102.155 -5.18171 -135.961 -120.041 -102.155 -120.041 -287.699 GPRESSURE: 843400 -24.8198 95.9059 -98.5713 -18.3682 -133.532 -45.7319 21.065 -58.8072 -330.832 PRESSAVG: 843400 10.9058 36.2619 15.2345 36.2619 32.7906 7.54504 15.2344 7.54504 5.88916 GPRESSAVG: 843400 11.9102 33.7779 17.1102 38.9343 32.2352 5.61875 17.774 9.95898 5.56127 TIMING: 843400 CPU: 2665.52, 0.00316392/step Wall: 2665.52, 0.00316392/step, 3.65309 hours remaining, 233.957031 MB of memory in use. ENERGY: 843400 3978.7699 20664.5506 14466.8572 246.5836 -203197.0775 2614.8254 0.0000 0.0000 52057.2203 -109168.2705 299.1736 -161225.4909 -108805.8921 299.9038 -192.5942 -163.0611 762388.3215 16.5285 16.5689 PRESSURE: 843600 -10.1831 53.7576 218.506 53.758 285.109 206.953 218.506 206.953 64.7296 GPRESSURE: 843600 61.2533 96.7556 237.274 54.4788 358.875 236.989 89.5152 254.911 1.2408 PRESSAVG: 843600 -45.4988 7.55514 25.5223 7.55511 61.9928 3.16719 25.5222 3.16714 7.6892 GPRESSAVG: 843600 -44.8528 10.3888 24.8528 4.91944 62.4131 5.05575 23.2601 2.10616 7.19694 TIMING: 843600 CPU: 2666.15, 0.0031425/step Wall: 2666.15, 0.0031425/step, 3.62819 hours remaining, 233.957031 MB of memory in use. ENERGY: 843600 4012.6637 20620.1218 14432.1449 235.2295 -203489.7070 2731.0862 0.0000 0.0000 52241.1037 -109217.3571 300.2303 -161458.4608 -108855.8364 299.5699 113.2186 140.4562 760698.3645 8.0611 8.2524 PRESSURE: 843800 187.428 48.2787 -9.90231 48.2786 -85.5457 35.8123 -9.9015 35.8124 -344.895 GPRESSURE: 843800 164.773 77.0936 0.198073 8.76649 -31.0722 -41.1394 -84.4748 64.2244 -319.026 PRESSAVG: 843800 -39.4306 -9.04281 -9.49449 -9.04285 -4.06379 -31.1555 -9.49452 -31.1554 -22.7853 GPRESSAVG: 843800 -39.7493 -10.3369 -9.24159 -8.18125 -3.50056 -31.074 -10.7506 -31.436 -23.315 TIMING: 843800 CPU: 2666.78, 0.0031518/step Wall: 2666.78, 0.0031518/step, 3.63875 hours remaining, 233.957031 MB of memory in use. ENERGY: 843800 3992.2673 20603.4980 14366.3648 239.5507 -203673.4610 2807.1669 0.0000 0.0000 52243.7711 -109420.8422 300.2457 -161664.6133 -109055.9807 299.2370 -81.0044 -61.7750 762871.0210 -22.0932 -22.1883 PRESSURE: 844000 -354.19 113.985 148.555 113.985 55.2361 -7.42592 148.555 -7.42597 -330.55 GPRESSURE: 844000 -340.381 70.4495 77.1819 -19.0872 56.4757 19.0746 248.935 -17.3063 -270.546 PRESSAVG: 844000 45.1268 31.3382 26.9984 31.3382 -22.4233 -5.05995 26.9985 -5.05989 3.6376 GPRESSAVG: 844000 45.1848 31.7879 26.031 31.6146 -22.3605 -4.21526 28.3263 -3.88519 3.49662 TIMING: 844000 CPU: 2667.41, 0.00316114/step Wall: 2667.41, 0.00316115/step, 3.64937 hours remaining, 233.957031 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: 844000 4105.0750 20721.1645 14422.4078 240.7662 -203575.1277 2840.2588 0.0000 0.0000 52109.5528 -109135.9028 299.4743 -161245.4555 -108788.6856 299.4779 -209.8347 -184.8169 763730.5464 8.7804 8.7736 PRESSURE: 844200 118.832 38.409 24.4689 38.4085 215.67 256.805 24.4685 256.806 -62.4992 GPRESSURE: 844200 199.93 36.2901 -20.4438 94.4422 257.123 236.845 112.157 233.103 -107.197 PRESSAVG: 844200 -13.9217 6.07004 40.3919 6.07004 30.0931 -0.846124 40.3918 -0.846059 11.6351 GPRESSAVG: 844200 -13.7206 5.67959 39.7099 5.57154 29.3267 -2.14821 40.4906 -2.34591 12.1652 TIMING: 844200 CPU: 2668.04, 0.00315845/step Wall: 2668.04, 0.00315845/step, 3.64608 hours remaining, 233.957031 MB of memory in use. ENERGY: 844200 3960.8908 20416.0462 14421.9706 243.1002 -203391.6178 2595.1019 0.0000 0.0000 52259.1526 -109495.3554 300.3341 -161754.5080 -109109.9710 299.5707 90.6674 116.6183 761295.0524 9.2688 9.2571 LDB: ============= START OF LOAD BALANCING ============== 2680.58 LDB: ============== END OF LOAD BALANCING =============== 2680.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2680.58 LDB: ============= START OF LOAD BALANCING ============== 2680.89 LDB: Largest compute 7078 load 0.029404 is 15.1% of average load 0.195318 LDB: Average compute 0.004372 is 2.2% of average load 0.195318 LDB: TIME 2680.9 LOAD: AVG 0.195318 MAX 0.211451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 2680.9 LOAD: AVG 0.195318 MAX 0.211451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: TIME 2680.9 LOAD: AVG 0.195318 MAX 0.211451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: ============== END OF LOAD BALANCING =============== 2680.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2680.9 PRESSURE: 844400 -302.464 12.2541 244.817 12.2538 381.263 75.5704 244.818 75.5713 -55.2604 GPRESSURE: 844400 -250.279 -44.1386 249.563 34.27 344.396 30.5742 197.23 126.482 26.7954 PRESSAVG: 844400 -35.5135 29.4597 31.1807 29.4597 11.1103 8.10832 31.1807 8.10831 -18.9981 GPRESSAVG: 844400 -35.0794 28.9357 32.3148 30.2254 9.40763 10.0867 31.5515 7.57355 -18.7892 TIMING: 844400 CPU: 2668.69, 0.00321447/step Wall: 2668.69, 0.00321447/step, 3.71057 hours remaining, 233.464844 MB of memory in use. ENERGY: 844400 4025.4460 20578.6054 14344.4657 242.1946 -203730.0509 2737.5117 0.0000 0.0000 52294.6886 -109507.1389 300.5383 -161801.8275 -109162.2525 299.7793 7.8464 40.3039 759712.7694 -14.4671 -14.8203 PRESSURE: 844600 56.4704 153.114 70.0313 153.115 71.1851 179.399 70.0316 179.399 86.2837 GPRESSURE: 844600 43.8732 105.87 80.1014 90.9839 249.556 274.684 109.59 168.475 8.66763 PRESSAVG: 844600 -2.60151 56.4663 52.1361 56.4664 -33.8848 14.3437 52.1362 14.3438 -24.4343 GPRESSAVG: 844600 -4.42699 56.897 51.0202 56.1616 -31.4461 13.1004 52.7546 15.5306 -24.8695 TIMING: 844600 CPU: 2669.32, 0.00315385/step Wall: 2669.32, 0.00315385/step, 3.64042 hours remaining, 233.667969 MB of memory in use. ENERGY: 844600 3962.4138 20546.6313 14385.5628 242.1087 -203808.1463 2771.7799 0.0000 0.0000 52238.0408 -109661.6090 300.2127 -161899.6499 -109291.2482 299.2661 71.3131 100.6990 760329.6161 -20.3069 -20.2475 PRESSURE: 844800 -65.1711 -76.3045 106.903 -76.3045 -307.892 -141.09 106.903 -141.09 -481.625 GPRESSURE: 844800 -87.0554 -218.28 194.661 -26.6327 -290.526 -124.542 -85.0809 -119.583 -417.969 PRESSAVG: 844800 -56.0785 -29.2049 74.9635 -29.2049 16.3732 52.1875 74.9636 52.1874 2.42141 GPRESSAVG: 844800 -56.4432 -29.5178 75.6047 -29.2021 15.2799 51.6722 72.977 52.1429 3.73183 TIMING: 844800 CPU: 2669.95, 0.00315832/step Wall: 2669.95, 0.00315832/step, 3.6454 hours remaining, 233.734375 MB of memory in use. ENERGY: 844800 4040.0067 20772.9599 14328.0754 235.6259 -203245.2034 2428.1600 0.0000 0.0000 51785.3218 -109655.0536 297.6110 -161440.3754 -109303.2051 299.1156 -284.8961 -265.1833 761747.2047 -12.4279 -12.4771 PRESSURE: 845000 -126.677 -72.3324 -79.5426 -72.3317 -195.853 123.783 -79.5436 123.784 169.12 GPRESSURE: 845000 -27.768 -113.546 -49.9634 -67.0222 -201.599 151.513 -137.086 70.718 154.758 PRESSAVG: 845000 24.0583 -44.1081 3.20262 -44.108 -11.8475 7.30338 3.20257 7.30341 -7.90328 GPRESSAVG: 845000 23.2093 -45.2716 3.82647 -44.0147 -10.8711 6.98672 3.77735 6.88895 -7.72927 TIMING: 845000 CPU: 2670.58, 0.00315688/step Wall: 2670.58, 0.00315688/step, 3.64356 hours remaining, 233.792969 MB of memory in use. ENERGY: 845000 3995.2642 20648.9039 14435.7806 252.5931 -203809.7753 2852.0627 0.0000 0.0000 51976.8829 -109648.2878 298.7119 -161625.1708 -109282.2509 298.9449 -51.1368 -24.8698 761867.9121 1.4358 1.5363 PRESSURE: 845200 0.555379 -361.575 -131.854 -361.574 96.2886 34.6602 -131.853 34.6599 280.322 GPRESSURE: 845200 35.6062 -231.979 -119.031 -340.251 149.16 125.635 -91.2261 72.538 276.578 PRESSAVG: 845200 14.4341 -65.3974 22.8673 -65.3974 -8.21602 42.0746 22.8673 42.0746 -7.40661 GPRESSAVG: 845200 16.0523 -64.7166 21.2452 -66.0293 -9.00712 45.4384 24.7539 41.0296 -7.91382 TIMING: 845200 CPU: 2671.21, 0.00316218/step Wall: 2671.21, 0.00316218/step, 3.64951 hours remaining, 233.792969 MB of memory in use. ENERGY: 845200 4001.3906 20717.2938 14453.5365 241.6024 -204091.2142 2866.8717 0.0000 0.0000 52272.8951 -109537.6242 300.4130 -161810.5193 -109177.7985 299.3201 125.7220 153.7815 758028.5364 -0.3962 -0.2895 PRESSURE: 845400 377.892 157.141 -76.926 157.141 153.505 -94.6224 -76.9263 -94.6218 -467.215 GPRESSURE: 845400 419.407 210.115 -32.6719 70.7433 173.172 -95.7244 69.1483 -50.2595 -452.491 PRESSAVG: 845400 56.6282 30.9498 42.6343 30.9498 -26.4898 -11.6382 42.6343 -11.6381 -9.56963 GPRESSAVG: 845400 55.4939 32.3987 45.4901 29.9252 -26.2725 -13.6608 42.2578 -11.4321 -8.73228 TIMING: 845400 CPU: 2671.85, 0.003168/step Wall: 2671.85, 0.003168/step, 3.65605 hours remaining, 233.824219 MB of memory in use. ENERGY: 845400 4014.0889 20582.3329 14435.0356 234.6811 -203634.2162 2829.1964 0.0000 0.0000 52136.1014 -109402.7799 299.6269 -161538.8814 -109036.2767 299.7511 21.3940 46.6961 759953.0429 6.8562 6.8297 PRESSURE: 845600 -48.1796 42.9284 58.9606 42.9278 -110.241 170.753 58.9606 170.753 -93.6727 GPRESSURE: 845600 -20.7444 37.0541 60.2375 -16.7116 -109.241 99.6281 -85.6569 141.533 -21.4609 PRESSAVG: 845600 23.3966 3.95139 56.353 3.95134 -48.0245 -14.7144 56.353 -14.7145 -1.89968 GPRESSAVG: 845600 23.8303 3.71603 55.5744 4.73416 -47.7962 -14.3817 56.7638 -14.6691 -2.41235 TIMING: 845600 CPU: 2672.48, 0.00317077/step Wall: 2672.48, 0.00317077/step, 3.65907 hours remaining, 233.824219 MB of memory in use. ENERGY: 845600 4004.3073 20517.9774 14378.8993 232.7844 -203544.1444 2718.3739 0.0000 0.0000 52049.2309 -109642.5711 299.1276 -161691.8020 -109287.3656 299.0700 -84.0311 -50.4822 761998.2936 -8.8425 -8.7927 PRESSURE: 845800 -143.316 -6.33929 -94.8499 -6.33933 113.38 -141.563 -94.8491 -141.561 -6.20086 GPRESSURE: 845800 -117.106 -12.9632 -50.6492 -41.7657 255.334 -95.9088 -28.1546 -124.574 -83.5682 PRESSAVG: 845800 53.642 31.6363 15.5757 31.6363 -31.0398 -58.8966 15.5756 -58.8966 -2.78704 GPRESSAVG: 845800 53.3614 32.2361 14.786 29.9436 -30.2831 -59.7942 15.4996 -57.2553 -2.42809 TIMING: 845800 CPU: 2673.11, 0.00313693/step Wall: 2673.11, 0.00313693/step, 3.61985 hours remaining, 233.824219 MB of memory in use. ENERGY: 845800 3930.0689 20540.9613 14459.9173 250.4248 -203625.0934 2694.8673 0.0000 0.0000 52148.6187 -109600.2351 299.6988 -161748.8538 -109243.7642 299.0693 -12.0457 18.2202 760053.7254 6.6051 6.8834 PRESSURE: 846000 15.3329 17.7504 -67.0645 17.75 -115.699 82.4394 -67.0641 82.4379 -106.062 GPRESSURE: 846000 93.1543 79.8938 -39.3787 -70.1252 -95.1569 41.3174 -85.6043 40.6947 -120.424 PRESSAVG: 846000 17.272 -6.33313 -13.2434 -6.33318 -29.6677 29.4847 -13.2434 29.4847 18.6423 GPRESSAVG: 846000 17.7414 -7.11426 -13.7639 -4.58403 -30.1582 29.2749 -13.7017 30.5626 17.9789 TIMING: 846000 CPU: 2673.74, 0.0031438/step Wall: 2673.74, 0.0031438/step, 3.6276 hours remaining, 233.812500 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: 846000 3930.6728 20518.0217 14437.6726 245.4200 -203736.6950 2821.1767 0.0000 0.0000 52213.7396 -109569.9914 300.0731 -161783.7311 -109206.1507 298.6750 -68.8093 -40.8088 761493.0151 2.0822 1.8540 PRESSURE: 846200 514.098 -179.61 -145.541 -179.61 265.903 -15.1548 -145.541 -15.1562 -132.353 GPRESSURE: 846200 503.666 -133.017 -133.762 -104.279 346.655 -6.53191 -95.0011 -36.7491 -109.754 PRESSAVG: 846200 7.62521 -28.2552 -59.864 -28.2553 -49.0641 10.0332 -59.8641 10.0332 13.5171 GPRESSAVG: 846200 8.13612 -26.6399 -60.6051 -29.2676 -50.6368 9.91236 -59.309 8.94244 14.451 TIMING: 846200 CPU: 2674.37, 0.00315079/step Wall: 2674.37, 0.00315079/step, 3.63548 hours remaining, 233.812500 MB of memory in use. ENERGY: 846200 3958.3272 20604.3700 14392.0233 253.5271 -203759.5059 2766.0327 0.0000 0.0000 52142.5884 -109642.6371 299.6642 -161785.2256 -109274.1782 299.3368 215.8829 246.8557 761669.6137 -9.3073 -9.3499 PRESSURE: 846400 -240.733 181.27 -45.0223 181.27 84.6271 -30.4762 -45.0222 -30.4775 342.597 GPRESSURE: 846400 -236.237 162.564 81.6822 244.154 188.951 -54.2486 -153.736 -4.22941 307.637 PRESSAVG: 846400 8.57372 21.6946 -36.3735 21.6946 -4.51603 20.5848 -36.3734 20.5848 0.0323072 GPRESSAVG: 846400 8.76192 19.778 -33.8819 22.5468 -2.02876 21.5218 -38.5412 20.7084 -2.20173 TIMING: 846400 CPU: 2675, 0.00315737/step Wall: 2675, 0.00315737/step, 3.6429 hours remaining, 233.812500 MB of memory in use. ENERGY: 846400 3847.4271 20587.3244 14358.6076 250.2890 -203175.8229 2533.6731 0.0000 0.0000 52001.3012 -109597.2006 298.8522 -161598.5018 -109236.5106 298.8165 62.1637 86.7838 760873.2873 1.3633 1.5105 PRESSURE: 846600 205.728 -119.844 -215.602 -119.844 83.6835 164.377 -215.602 164.378 83.1768 GPRESSURE: 846600 335.247 -84.9669 -219.386 -114.681 113.838 132.962 -259.319 157.341 12.5205 PRESSAVG: 846600 29.7451 43.1684 -9.27419 43.1684 -36.041 -1.08366 -9.2742 -1.08366 1.71499 GPRESSAVG: 846600 30.5022 42.6412 -11.3518 43.7801 -37.253 -0.0983735 -7.13177 -1.26518 2.21078 TIMING: 846600 CPU: 2675.63, 0.00315545/step Wall: 2675.63, 0.00315545/step, 3.64051 hours remaining, 233.812500 MB of memory in use. ENERGY: 846600 4018.7607 20592.5581 14399.4024 271.1910 -203868.1090 2952.6407 0.0000 0.0000 51903.5153 -109730.0409 298.2902 -161633.5562 -109367.1599 298.4387 124.1962 153.8685 759259.1667 -1.5270 -1.5134 PRESSURE: 846800 233.581 190.554 -73.9801 190.553 -253.326 -218.237 -73.9807 -218.237 -4.82306 GPRESSURE: 846800 283.958 254.096 -141.561 226.93 -269.751 -255.747 -111.504 -96.9712 55.4126 PRESSAVG: 846800 45.3253 -6.28384 -50.3153 -6.28385 -44.0837 -38.8923 -50.3153 -38.8922 -21.5436 GPRESSAVG: 846800 45.2274 -6.51803 -50.2555 -6.37784 -44.9211 -40.4444 -49.6358 -38.2501 -20.8097 TIMING: 846800 CPU: 2676.26, 0.00315758/step Wall: 2676.26, 0.00315758/step, 3.64279 hours remaining, 233.824219 MB of memory in use. ENERGY: 846800 3969.5754 20421.0945 14487.3959 242.5898 -203590.2987 2557.6334 0.0000 0.0000 52250.3353 -109661.6744 300.2834 -161912.0097 -109294.8760 298.6835 -8.1893 23.2067 760012.1341 -6.7673 -6.8345 PRESSURE: 847000 20.5377 -128.182 214.64 -128.183 -145.192 30.327 214.64 30.3265 190.621 GPRESSURE: 847000 99.4296 -129.05 236.285 -164.592 -108.442 25.0349 204.175 -56.2918 168.31 PRESSAVG: 847000 95.7626 -90.2755 -38.0815 -90.2755 -47.6884 23.3742 -38.0816 23.3741 -5.14037 GPRESSAVG: 847000 95.4865 -89.6792 -37.7976 -89.4259 -47.9048 21.7364 -39.7156 22.6237 -5.1615 TIMING: 847000 CPU: 2676.9, 0.00318459/step Wall: 2676.9, 0.00318459/step, 3.67378 hours remaining, 233.824219 MB of memory in use. ENERGY: 847000 4010.9421 20500.6616 14402.1170 255.4434 -203457.1094 2740.2599 0.0000 0.0000 51869.6394 -109678.0460 298.0955 -161547.6854 -109316.3698 298.5695 21.9889 53.0991 760520.6726 14.3113 14.1401 PRESSURE: 847200 -376.843 151.577 -98.8569 151.578 -495.292 121.06 -98.8564 121.061 -40.2131 GPRESSURE: 847200 -285.525 186.095 -65.5908 114.602 -387.72 163.551 -157.012 186.075 -158.453 PRESSAVG: 847200 14.8774 -28.1173 34.4754 -28.1173 -1.87238 -13.5496 34.4753 -13.5497 1.54384 GPRESSAVG: 847200 15.7596 -29.8008 33.6869 -28.5434 -1.68171 -10.8629 34.639 -11.9032 0.480486 TIMING: 847200 CPU: 2677.53, 0.00316139/step Wall: 2677.53, 0.00316139/step, 3.64684 hours remaining, 233.824219 MB of memory in use. ENERGY: 847200 3999.8834 20561.2752 14494.6420 252.6320 -203816.2797 2806.0273 0.0000 0.0000 51939.3713 -109762.4485 298.4963 -161701.8199 -109406.2697 298.4500 -304.1158 -277.2325 761402.3456 4.8496 4.8528 PRESSURE: 847400 186.286 -64.3137 -130.833 -64.3136 -142.912 84.1364 -130.833 84.135 295.05 GPRESSURE: 847400 176.032 -147.768 -81.003 -47.7484 -93.4423 139.479 -185.178 3.2269 342.917 PRESSAVG: 847400 99.1701 -23.8831 -33.1288 -23.8831 -94.0248 64.6542 -33.1287 64.6543 -17.7715 GPRESSAVG: 847400 97.9326 -22.5997 -33.5883 -25.6519 -92.3399 62.8399 -33.0198 64.3389 -17.7953 TIMING: 847400 CPU: 2678.17, 0.00317296/step Wall: 2678.17, 0.00317296/step, 3.66001 hours remaining, 233.824219 MB of memory in use. ENERGY: 847400 3923.0085 20517.8083 14473.4223 275.3387 -203650.1885 2748.2472 0.0000 0.0000 51831.0934 -109881.2701 297.8740 -161712.3635 -109530.9365 298.2044 112.8079 141.8355 761897.3266 -4.2087 -4.0675 PRESSURE: 847600 34.3934 -57.642 152.503 -57.6422 59.2668 188.366 152.503 188.365 -240.21 GPRESSURE: 847600 73.3446 -154.75 86.4238 -50.1863 84.953 162.806 123.407 146.895 -230.514 PRESSAVG: 847600 12.7517 7.79153 -2.89614 7.79152 -31.4805 -0.524195 -2.89612 -0.524155 -30.9224 GPRESSAVG: 847600 12.8337 7.37099 -2.2181 9.37303 -33.359 0.121846 -3.24364 -1.5661 -29.3265 TIMING: 847600 CPU: 2678.8, 0.00317813/step Wall: 2678.8, 0.00317813/step, 3.6658 hours remaining, 233.824219 MB of memory in use. ENERGY: 847600 4033.4764 20603.5516 14495.5969 253.7870 -203751.3535 2883.2476 0.0000 0.0000 51651.9215 -109829.7725 296.8443 -161481.6940 -109475.4031 298.7236 -48.8501 -24.0720 762710.6783 -16.5504 -16.6173 PRESSURE: 847800 215.071 -136.994 39.8359 -136.993 14.1863 -100.362 39.8362 -100.361 -79.4905 GPRESSURE: 847800 322.683 -15.3977 22.2821 -89.1079 2.35667 -101.103 54.7871 -6.57961 -74.8389 PRESSAVG: 847800 62.9366 -13.5837 -25.4917 -13.5837 -69.1627 19.7455 -25.4917 19.7454 -2.73772 GPRESSAVG: 847800 62.9259 -11.8189 -25.3014 -15.7618 -68.3965 20.077 -24.1102 19.8677 -3.40556 TIMING: 847800 CPU: 2679.43, 0.00314334/step Wall: 2679.43, 0.00314334/step, 3.6255 hours remaining, 233.824219 MB of memory in use. ENERGY: 847800 3998.2579 20524.0256 14415.3474 260.9454 -203801.2575 2902.8999 0.0000 0.0000 51949.8152 -109749.9660 298.5563 -161699.7812 -109396.3349 298.6903 49.9223 83.4002 760656.6362 -2.9880 -2.9587 PRESSURE: 848000 -38.7945 -58.1408 -54.1314 -58.1401 262.047 31.8749 -54.1313 31.8751 338.155 GPRESSURE: 848000 -25.1649 -34.1406 -104.12 14.0273 312.097 25.1105 -75.4457 8.20546 374.184 PRESSAVG: 848000 31.7632 -33.1668 -18.6079 -33.1669 -2.03808 29.3636 -18.6079 29.3635 -16.0723 GPRESSAVG: 848000 31.5212 -33.8544 -17.8837 -30.688 -1.4294 28.9313 -19.4156 28.7825 -16.0274 TIMING: 848000 CPU: 2680.06, 0.00316377/step Wall: 2680.06, 0.00316377/step, 3.64888 hours remaining, 233.824219 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: 848000 3988.9289 20313.7993 14457.7614 242.3927 -203954.1893 2947.5575 0.0000 0.0000 52382.9011 -109620.8485 301.0453 -162003.7496 -109255.3019 299.4977 187.1357 220.3720 760927.0431 4.5509 4.6881 PRESSURE: 848200 -412.077 -184.889 -84.6167 -184.89 -340.07 -19.0437 -84.6162 -19.0434 -186.409 GPRESSURE: 848200 -372.365 -51.2272 -68.3053 -235.17 -357.211 81.8539 -168.033 37.9464 -125.4 PRESSAVG: 848200 10.3403 29.7984 -14.0892 29.7985 -0.118365 19.8898 -14.0892 19.8897 5.64848 GPRESSAVG: 848200 11.3585 27.653 -15.2991 29.6954 -2.03495 20.649 -14.7105 20.3452 5.80696 TIMING: 848200 CPU: 2680.69, 0.00314679/step Wall: 2680.69, 0.00314679/step, 3.62912 hours remaining, 233.824219 MB of memory in use. ENERGY: 848200 3937.2878 20599.6992 14412.6184 270.2242 -203370.8378 2572.9819 0.0000 0.0000 51928.0701 -109649.9562 298.4313 -161578.0263 -109289.8421 298.9464 -312.8520 -284.9918 763865.4942 5.2901 5.0435 LDB: ============= START OF LOAD BALANCING ============== 2693.22 LDB: ============== END OF LOAD BALANCING =============== 2693.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2693.23 LDB: ============= START OF LOAD BALANCING ============== 2693.54 LDB: Largest compute 7051 load 0.029449 is 15.1% of average load 0.195363 LDB: Average compute 0.004384 is 2.2% of average load 0.195363 LDB: TIME 2693.54 LOAD: AVG 0.195363 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.906 MB LDB: TIME 2693.54 LOAD: AVG 0.195363 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: TIME 2693.54 LOAD: AVG 0.195363 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.906 MB LDB: ============== END OF LOAD BALANCING =============== 2693.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2693.55 PRESSURE: 848400 -110.387 82.8215 32.9953 82.821 126.047 122.047 32.9957 122.047 -83.2624 GPRESSURE: 848400 -63.7278 209.888 -55.6188 9.86625 122.187 40.893 163.94 189.704 -61.2805 PRESSAVG: 848400 10.7835 36.936 -42.215 36.9359 -22.6981 -32.6292 -42.215 -32.6291 8.51344 GPRESSAVG: 848400 10.1799 39.7448 -41.082 36.9271 -22.5221 -31.9586 -43.6935 -31.7635 8.83112 TIMING: 848400 CPU: 2681.33, 0.00321222/step Wall: 2681.33, 0.00321222/step, 3.70441 hours remaining, 233.695312 MB of memory in use. ENERGY: 848400 4063.6656 20576.7983 14496.8617 246.5663 -203751.0252 2852.6609 0.0000 0.0000 51902.6997 -109611.7727 298.2855 -161514.4724 -109250.8673 299.1495 -22.5340 -0.9406 761298.1160 -1.1337 -1.1704 PRESSURE: 848600 -150.781 -23.0723 123.208 -23.0724 45.9247 51.0313 123.207 51.0321 308.639 GPRESSURE: 848600 -174.046 -45.6067 83.9792 -64.0864 34.4342 -52.8317 181.243 128.202 410.384 PRESSAVG: 848600 -0.35767 6.45233 21.9057 6.45231 5.79041 20.6824 21.9058 20.6825 3.03002 GPRESSAVG: 848600 -1.52139 3.64802 20.5128 6.43823 7.61455 18.418 24.8196 19.3881 2.91737 TIMING: 848600 CPU: 2681.97, 0.00315487/step Wall: 2681.97, 0.00315487/step, 3.63809 hours remaining, 233.765625 MB of memory in use. ENERGY: 848600 4021.8281 20750.6479 14444.8533 255.8283 -203913.3835 2871.2273 0.0000 0.0000 51834.1372 -109734.8614 297.8915 -161568.9986 -109364.2684 299.0698 67.9277 90.2574 761447.6823 2.8209 3.0035 PRESSURE: 848800 -137.94 157.3 -355.268 157.3 65.1653 -239.09 -355.268 -239.09 -198.699 GPRESSURE: 848800 -46.5736 140.172 -371.258 205.107 7.79372 -128.199 -302.384 -54.2052 -151.69 PRESSAVG: 848800 30.0162 -37.5866 45.5676 -37.5865 7.94095 -33.8169 45.5676 -33.8169 9.42839 GPRESSAVG: 848800 31.6987 -36.5553 46.5854 -38.6711 6.85924 -33.2394 45.4244 -32.7546 8.8782 TIMING: 848800 CPU: 2682.6, 0.00317669/step Wall: 2682.6, 0.00317669/step, 3.66308 hours remaining, 233.765625 MB of memory in use. ENERGY: 848800 3952.1755 20584.0529 14476.1770 258.6603 -203509.3817 2696.0815 0.0000 0.0000 51908.6617 -109633.5728 298.3198 -161542.2345 -109268.2316 298.9533 -90.4914 -63.4899 761688.5410 15.7952 15.8120 PRESSURE: 849000 -127.713 -170.099 146.31 -170.099 -485.918 -62.5983 146.311 -62.5982 -218.506 GPRESSURE: 849000 -74.2539 -149.672 73.362 -67.9145 -437.893 -52.6564 255.171 -79.8592 -239.836 PRESSAVG: 849000 11.3933 19.1586 27.887 19.1585 -3.14898 -17.4496 27.887 -17.4497 -3.17885 GPRESSAVG: 849000 11.0565 20.6048 27.7424 18.5018 -3.2352 -16.391 26.1652 -18.0873 -2.5871 TIMING: 849000 CPU: 2683.23, 0.00315187/step Wall: 2683.23, 0.00315187/step, 3.63428 hours remaining, 233.765625 MB of memory in use. ENERGY: 849000 4012.1534 20321.6356 14494.3294 245.8472 -203728.1737 2777.5223 0.0000 0.0000 52195.2084 -109681.4775 299.9666 -161876.6858 -109312.7608 298.6357 -277.3790 -250.6609 763243.4904 1.6885 1.7447 PRESSURE: 849200 -172.44 142.989 123.342 142.988 -281.975 221.455 123.341 221.454 87.4078 GPRESSURE: 849200 -257.016 65.2969 82.8699 136.399 -150.067 117.875 -2.06148 256.255 126.486 PRESSAVG: 849200 -11.5867 52.3788 -3.86464 52.3788 3.19181 -9.03445 -3.86466 -9.03447 10.2393 GPRESSAVG: 849200 -13.1301 50.3928 -5.36724 54.4696 3.82337 -10.4978 -4.50843 -10.4342 10.4702 TIMING: 849200 CPU: 2683.86, 0.00315225/step Wall: 2683.86, 0.00315225/step, 3.63454 hours remaining, 233.765625 MB of memory in use. ENERGY: 849200 3932.1288 20446.5468 14422.6275 233.1061 -203379.9074 2721.6362 0.0000 0.0000 51780.6646 -109843.1973 297.5842 -161623.8619 -109495.1955 298.5710 -122.3356 -93.5324 762312.4834 0.6148 0.3878 PRESSURE: 849400 73.0551 -10.7349 -189.332 -10.736 -205.582 34.4952 -189.331 34.4953 358.159 GPRESSURE: 849400 68.4297 -69.8082 -127.43 -67.6445 -56.9777 42.4848 -172.048 75.6728 316.028 PRESSAVG: 849400 48.624 85.3703 29.8107 85.3702 -48.8631 -44.5609 29.8107 -44.5609 -18.8514 GPRESSAVG: 849400 48.9884 86.7698 30.7558 81.7191 -48.6922 -42.6873 31.1135 -42.5455 -19.5685 TIMING: 849400 CPU: 2684.49, 0.00314431/step Wall: 2684.49, 0.00314431/step, 3.62522 hours remaining, 233.765625 MB of memory in use. ENERGY: 849400 3977.9954 20412.1025 14435.5576 258.6885 -204059.5510 3070.5689 0.0000 0.0000 52182.9306 -109721.7075 299.8960 -161904.6382 -109360.6791 298.3446 75.2108 109.1599 762612.9228 -6.3635 -6.4241 PRESSURE: 849600 155.167 20.2311 123.25 20.2316 494.34 -88.5171 123.25 -88.5177 247.95 GPRESSURE: 849600 198.182 -52.3456 114.787 -9.98087 493.465 -74.0131 142.5 -18.8649 271.302 PRESSAVG: 849600 -13.3612 12.7802 12.1831 12.7802 28.2712 -28.0372 12.1831 -28.0372 -1.62485 GPRESSAVG: 849600 -13.5555 14.1757 13.2088 13.7401 27.2394 -29.9772 11.5858 -27.1463 -0.488669 TIMING: 849600 CPU: 2685.12, 0.0031374/step Wall: 2685.12, 0.0031374/step, 3.61707 hours remaining, 233.765625 MB of memory in use. ENERGY: 849600 4015.5283 20621.3644 14463.9887 237.8408 -203940.6758 3010.5492 0.0000 0.0000 51828.7228 -109762.6815 297.8604 -161591.4043 -109409.3788 298.4870 299.1524 320.9829 761014.2609 4.4284 4.3984 PRESSURE: 849800 226.398 26.4331 66.9662 26.4336 -74.0022 -71.9381 66.9665 -71.9395 593.607 GPRESSURE: 849800 244.96 -60.0731 95.7004 21.8416 -93.329 -120.569 -17.5921 -109.026 682.965 PRESSAVG: 849800 66.4965 1.01943 -2.46056 1.01946 -61.1031 7.77501 -2.46061 7.77503 12.5013 GPRESSAVG: 849800 66.2235 -2.48836 -3.94255 2.51064 -60.5306 8.56401 -2.09326 5.52997 12.2214 TIMING: 849800 CPU: 2685.75, 0.00315105/step Wall: 2685.75, 0.00315105/step, 3.63263 hours remaining, 233.765625 MB of memory in use. ENERGY: 849800 3885.7019 20621.1226 14433.5087 230.5713 -204220.9342 3096.4039 0.0000 0.0000 51990.6581 -109962.9678 298.7910 -161953.6259 -109596.7038 298.2214 248.6677 278.1985 761738.7779 5.9649 5.9714 PRESSURE: 850000 255.714 -249.265 -311.725 -249.266 134.566 74.4133 -311.726 74.4133 321.655 GPRESSURE: 850000 288.814 -317.242 -193.805 -228.64 158.284 137.941 -343.953 149.584 352.384 PRESSAVG: 850000 -18.3974 -74.3335 -21.4374 -74.3335 5.117 26.539 -21.4374 26.5392 13.1887 GPRESSAVG: 850000 -18.7193 -72.9169 -20.6665 -74.9606 5.39003 26.1842 -21.2872 26.2034 12.5637 TIMING: 850000 CPU: 2686.38, 0.00313885/step Wall: 2686.38, 0.00313885/step, 3.6184 hours remaining, 233.765625 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: 850000 3925.6949 20606.5515 14523.8158 214.8084 -204183.5373 3039.7277 0.0000 0.0000 51927.2892 -109945.6499 298.4268 -161872.9390 -109587.5765 298.6194 237.3116 266.4942 760361.1766 -0.0306 -0.2552 PRESSURE: 850200 40.5253 -185.155 -48.3488 -185.155 -187.326 164.488 -48.3482 164.489 383.591 GPRESSURE: 850200 29.548 -171.404 -51.9248 -111.129 -107.541 184.765 -15.0972 253.873 390.639 PRESSAVG: 850200 29.9016 -36.6344 4.65312 -36.6343 12.8511 -6.26273 4.65313 -6.26274 -3.67028 GPRESSAVG: 850200 29.9599 -36.4337 3.10549 -35.0895 12.0353 -6.33437 8.54371 -6.35155 -3.25272 TIMING: 850200 CPU: 2687, 0.0031361/step Wall: 2687, 0.0031361/step, 3.61505 hours remaining, 233.765625 MB of memory in use. ENERGY: 850200 3991.9860 20539.7438 14529.1412 250.2998 -203675.7381 2739.8571 0.0000 0.0000 51959.2221 -109665.4883 298.6104 -161624.7104 -109300.6289 298.3652 78.9302 104.2153 761141.6923 13.0275 12.9142 PRESSURE: 850400 -85.1099 89.3849 -40.5005 89.3853 349.31 -164.63 -40.5006 -164.629 -145.752 GPRESSURE: 850400 -61.221 144.741 -114.691 61.8392 294.342 -237.368 0.0508293 -51.4354 -20.7951 PRESSAVG: 850400 48.0731 16.0456 27.4482 16.0456 -17.392 -18.1052 27.4481 -18.1052 25.9164 GPRESSAVG: 850400 48.956 17.4663 29.0867 15.592 -16.7709 -18.4709 22.9546 -17.3678 25.068 TIMING: 850400 CPU: 2687.63, 0.00313561/step Wall: 2687.63, 0.00313561/step, 3.61431 hours remaining, 233.765625 MB of memory in use. ENERGY: 850400 3949.3845 20559.4815 14477.6559 264.0586 -203635.9478 2822.6396 0.0000 0.0000 51786.3219 -109776.4059 297.6167 -161562.7278 -109408.8203 298.9471 39.4829 70.7754 760683.3183 18.8658 19.0844 PRESSURE: 850600 121.022 19.5317 -183.977 19.5317 -208.249 -97.3355 -183.977 -97.3361 -525.838 GPRESSURE: 850600 92.9526 -70.8868 -116.899 122.978 -133.389 -81.3741 -283.719 -98.367 -476.028 PRESSAVG: 850600 -10.4553 -16.3648 -64.6402 -16.3648 0.440143 -42.6712 -64.6402 -42.6712 -22.8109 GPRESSAVG: 850600 -10.7311 -19.0177 -65.9437 -17.3513 -0.209408 -41.8401 -65.8289 -42.9104 -21.8666 TIMING: 850600 CPU: 2688.26, 0.00314681/step Wall: 2688.26, 0.00314681/step, 3.62705 hours remaining, 233.765625 MB of memory in use. ENERGY: 850600 4059.7605 20464.9704 14484.6703 238.7765 -203421.3370 2542.3749 0.0000 0.0000 51841.2680 -109789.5163 297.9325 -161630.7843 -109422.7072 298.8441 -204.3551 -172.1547 760779.9382 -10.9420 -10.9357 PRESSURE: 850800 114.465 163.824 -13.4262 163.825 62.1382 -66.0427 -13.4263 -66.0429 -110.227 GPRESSURE: 850800 189.53 51.7353 -29.3661 40.7171 118.717 -63.1024 -120.739 -103.554 -140.617 PRESSAVG: 850800 47.955 -25.113 0.548676 -25.113 -19.0333 -16.2394 0.548663 -16.2395 24.9172 GPRESSAVG: 850800 48.1059 -25.4843 2.19526 -25.9049 -18.5458 -16.9618 0.620439 -16.026 24.1842 TIMING: 850800 CPU: 2688.9, 0.00318781/step Wall: 2688.9, 0.00318781/step, 3.67413 hours remaining, 233.765625 MB of memory in use. ENERGY: 850800 4046.3853 20302.7847 14492.7991 243.1256 -203350.8860 2468.1854 0.0000 0.0000 51886.7014 -109910.9044 298.1936 -161797.6059 -109540.4523 298.1741 22.1253 55.8771 759194.8235 17.9463 17.9148 PRESSURE: 851000 -66.5664 84.8659 19.4904 84.8668 111.134 172.313 19.4898 172.313 69.7894 GPRESSURE: 851000 -75.8037 211.651 -11.8026 26.0092 156.234 113.78 82.2028 165.503 99.0741 PRESSAVG: 851000 -18.3335 -9.54557 -34.3543 -9.54562 3.76912 -24.2468 -34.3544 -24.2469 -14.1005 GPRESSAVG: 851000 -17.4828 -8.75864 -34.8827 -7.47535 2.33451 -22.6073 -33.2421 -23.7747 -14.0468 TIMING: 851000 CPU: 2689.53, 0.003183/step Wall: 2689.53, 0.003183/step, 3.66841 hours remaining, 233.765625 MB of memory in use. ENERGY: 851000 3930.7066 20462.5193 14500.1075 261.0203 -203732.7283 2668.0601 0.0000 0.0000 52203.4914 -109706.8231 300.0142 -161910.3145 -109336.8903 298.4909 38.1191 59.8350 760043.8438 -9.5550 -9.7317 PRESSURE: 851200 55.94 168.02 63.2955 168.021 -116.798 288.071 63.2952 288.071 -90.8161 GPRESSURE: 851200 101.427 229.307 3.51345 255.421 -67.4109 284.358 80.5697 189.995 -83.8445 PRESSAVG: 851200 22.6752 -19.0814 29.8068 -19.0814 -3.17112 60.907 29.8068 60.9069 -14.0721 GPRESSAVG: 851200 20.2767 -19.0355 28.7522 -19.5462 -0.336014 61.2161 29.9333 60.3923 -15.0842 TIMING: 851200 CPU: 2690.17, 0.00317562/step Wall: 2690.17, 0.00317562/step, 3.65973 hours remaining, 233.765625 MB of memory in use. ENERGY: 851200 3963.3177 20568.2867 14425.4624 258.4772 -203533.6912 2700.4509 0.0000 0.0000 51884.4460 -109733.2502 298.1806 -161617.6962 -109375.6754 298.6675 -50.5580 -16.6093 761551.9256 1.8107 1.6188 PRESSURE: 851400 -69.361 142.977 55.9042 142.976 252.922 -75.4948 55.9046 -75.4949 78.166 GPRESSURE: 851400 -56.8698 98.7796 63.2497 62.8504 306.602 -82.5353 122.559 -26.996 93.5307 PRESSAVG: 851400 -6.0929 5.34743 4.26202 5.34745 22.9814 2.89115 4.26197 2.89122 -8.75188 GPRESSAVG: 851400 -5.66494 5.30398 6.82934 5.32281 21.5669 2.01337 5.91367 3.53523 -8.22389 TIMING: 851400 CPU: 2690.8, 0.00314018/step Wall: 2690.8, 0.00314019/step, 3.61871 hours remaining, 233.765625 MB of memory in use. ENERGY: 851400 3931.1587 20562.0422 14462.5609 275.9987 -203558.2371 2414.3144 0.0000 0.0000 52084.8748 -109827.2873 299.3325 -161912.1621 -109461.9577 298.3487 87.2424 114.4211 760294.8855 2.7122 2.5593 PRESSURE: 851600 -17.7167 -410.745 -177.615 -410.746 -101.006 -136.39 -177.615 -136.391 -200.237 GPRESSURE: 851600 28.1305 -360.792 -131.624 -398.871 -66.7986 -124.649 -193.054 -136.252 -202.031 PRESSAVG: 851600 23.8822 -78.369 -11.6313 -78.3691 -19.7419 -22.8109 -11.6312 -22.8109 -7.24101 GPRESSAVG: 851600 24.273 -77.9872 -13.4963 -78.6753 -19.9435 -23.4908 -10.8971 -23.6786 -7.58243 TIMING: 851600 CPU: 2691.42, 0.00314095/step Wall: 2691.42, 0.00314095/step, 3.61942 hours remaining, 233.765625 MB of memory in use. ENERGY: 851600 3936.5761 20455.3051 14412.9906 270.6716 -203255.1321 2401.9696 0.0000 0.0000 52092.5343 -109685.0846 299.3765 -161777.6190 -109322.9809 298.7951 -106.3201 -80.2331 760592.6265 -1.0336 -1.0843 PRESSURE: 851800 -291.931 198.883 157.343 198.884 -137.801 -195.613 157.345 -195.614 328.724 GPRESSURE: 851800 -278.237 78.0387 216.755 105.751 -105.55 -179.022 169.722 -75.1761 374.552 PRESSAVG: 851800 3.94503 -36.3422 18.6135 -36.3422 -31.1416 -50.7433 18.6134 -50.7433 -3.0003 GPRESSAVG: 851800 4.35241 -36.1194 18.7727 -34.7074 -32.1329 -50.1457 18.1001 -47.5089 -1.59604 TIMING: 851800 CPU: 2692.05, 0.00314198/step Wall: 2692.05, 0.00314198/step, 3.62044 hours remaining, 233.765625 MB of memory in use. ENERGY: 851800 3944.6943 20232.4779 14424.4879 268.6603 -202859.4398 2317.4086 0.0000 0.0000 52178.0534 -109493.6574 299.8680 -161671.7109 -109124.6420 298.8678 -33.6692 -3.0783 763182.4385 -10.0656 -9.7922 PRESSURE: 852000 -15.0761 -0.575605 196.139 -0.575334 -188.566 -59.5291 196.14 -59.5289 196.526 GPRESSURE: 852000 -44.8944 -23.6172 143.424 20.0569 -99.6785 -119.6 155.534 -58.4482 220.71 PRESSAVG: 852000 -4.18857 43.7171 33.9555 43.717 -25.9488 -72.843 33.9555 -72.843 0.579629 GPRESSAVG: 852000 -4.70232 43.9919 34.9565 43.7821 -25.4249 -71.9417 32.3164 -76.9832 0.0911765 TIMING: 852000 CPU: 2692.68, 0.00314086/step Wall: 2692.68, 0.00314086/step, 3.61897 hours remaining, 233.765625 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: 852000 3935.8092 20456.3955 14449.3311 234.8297 -203330.8070 2670.6704 0.0000 0.0000 51927.1492 -109656.6219 298.4260 -161583.7711 -109301.2324 299.1012 -2.3721 25.3790 762767.9055 -9.8526 -10.0120 PRESSURE: 852200 -170.145 -64.5307 -1.44689 -64.5308 139.827 -116.992 -1.44816 -116.993 72.1787 GPRESSURE: 852200 -145.403 -29.7277 9.43979 -41.6202 166.25 -94.7254 -4.22367 -1.26983 106.458 PRESSAVG: 852200 -28.5928 -17.438 41.317 -17.438 53.6175 -31.7699 41.317 -31.7698 -6.52891 GPRESSAVG: 852200 -28.6486 -17.2298 40.6977 -18.2979 54.1553 -31.5705 40.9071 -28.4069 -6.48208 TIMING: 852200 CPU: 2693.31, 0.00315425/step Wall: 2693.31, 0.00315425/step, 3.63423 hours remaining, 233.765625 MB of memory in use. ENERGY: 852200 3941.9208 20498.4994 14470.1808 238.7690 -203524.5136 2720.8406 0.0000 0.0000 51968.0774 -109686.2255 298.6613 -161654.3030 -109325.0755 298.6526 13.9533 42.4349 760267.0605 6.1653 6.3415 LDB: ============= START OF LOAD BALANCING ============== 2705.85 LDB: ============== END OF LOAD BALANCING =============== 2705.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2705.85 LDB: ============= START OF LOAD BALANCING ============== 2706.16 LDB: Largest compute 7036 load 0.032041 is 16.4% of average load 0.195325 LDB: Average compute 0.004395 is 2.2% of average load 0.195325 LDB: TIME 2706.17 LOAD: AVG 0.195325 MAX 0.216112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.664 MB LDB: TIME 2706.17 LOAD: AVG 0.195325 MAX 0.216112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: TIME 2706.17 LOAD: AVG 0.195325 MAX 0.216112 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.664 MB LDB: ============== END OF LOAD BALANCING =============== 2706.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2706.17 PRESSURE: 852400 238.375 270.182 -187.209 270.182 256.928 -191.207 -187.209 -191.207 -57.4428 GPRESSURE: 852400 262.364 222.186 -141.192 281.164 213.484 -199.122 -149.494 -73.8278 62.6599 PRESSAVG: 852400 -37.5616 2.24207 35.0223 2.24202 -1.51315 -24.488 35.0223 -24.4879 -1.87074 GPRESSAVG: 852400 -37.5528 2.56029 34.5946 1.22412 -2.68536 -24.9479 36.0481 -26.2263 -1.17355 TIMING: 852400 CPU: 2693.96, 0.00322158/step Wall: 2693.96, 0.00322158/step, 3.71161 hours remaining, 232.867188 MB of memory in use. ENERGY: 852400 3996.4088 20478.6615 14479.3437 250.6762 -203378.5274 2774.4563 0.0000 0.0000 51809.4849 -109589.4959 297.7498 -161398.9808 -109229.2408 298.3263 145.9537 179.5029 760240.2161 -13.6485 -13.8039 PRESSURE: 852600 -119.852 16.6556 -40.3287 16.6558 154.48 -79.2216 -40.3285 -79.2211 161.854 GPRESSURE: 852600 -96.3816 68.4352 2.90787 -66.6592 200.908 -45.3999 83.9227 -83.1989 166.772 PRESSAVG: 852600 -29.55 32.0796 -39.3384 32.0796 10.8239 5.03678 -39.3384 5.03673 7.74801 GPRESSAVG: 852600 -30.6795 32.0472 -38.7225 31.5566 11.5309 3.00297 -39.3271 4.44185 7.61955 TIMING: 852600 CPU: 2694.59, 0.00315463/step Wall: 2694.59, 0.00315463/step, 3.63431 hours remaining, 233.070312 MB of memory in use. ENERGY: 852600 3934.4702 20505.7341 14458.0036 256.1511 -202873.7531 2475.0150 0.0000 0.0000 51809.3855 -109434.9936 297.7493 -161244.3791 -109071.7478 298.2660 65.4939 90.4327 761852.8668 -3.6594 -3.8430 PRESSURE: 852800 14.1595 142.393 87.8824 142.392 186.779 28.9875 87.8811 28.9875 7.07673 GPRESSURE: 852800 35.7542 74.7489 112.806 92.6524 243.529 -87.1067 -43.2212 91.2969 13.6216 PRESSAVG: 852800 -23.474 61.1018 -48.8387 61.1017 23.7074 -24.0048 -48.8387 -24.0049 27.0082 GPRESSAVG: 852800 -22.7071 59.9904 -49.1706 62.6165 23.6532 -22.2749 -49.3194 -23.3647 25.9948 TIMING: 852800 CPU: 2695.22, 0.00314903/step Wall: 2695.22, 0.00314903/step, 3.62768 hours remaining, 233.273438 MB of memory in use. ENERGY: 852800 3993.4884 20600.2139 14398.5744 231.0631 -203532.5588 2659.4555 0.0000 0.0000 52127.2540 -109522.5095 299.5760 -161649.7635 -109173.5309 298.4002 69.3385 97.6348 760515.7654 9.0805 8.9803 PRESSURE: 853000 110.625 -124.348 37.8308 -124.349 183.319 -94.5306 37.8303 -94.5288 219.405 GPRESSURE: 853000 257.066 -33.843 88.0227 -205.601 179.955 -130.981 70.7949 33.6283 153.339 PRESSAVG: 853000 18.0742 -11.1382 -35.872 -11.1381 9.61931 -4.66087 -35.872 -4.66072 14.0368 GPRESSAVG: 853000 17.6993 -10.5901 -36.2986 -12.1149 9.32957 -3.28689 -32.9141 -4.20645 14.2139 TIMING: 853000 CPU: 2695.85, 0.0031471/step Wall: 2695.85, 0.0031471/step, 3.62529 hours remaining, 233.273438 MB of memory in use. ENERGY: 853000 3936.9902 20325.8257 14503.4073 233.3450 -203191.5357 2614.6389 0.0000 0.0000 52016.3067 -109561.0218 298.9384 -161577.3284 -109202.9011 298.6482 171.1165 196.7865 760688.7233 13.9101 13.7476 PRESSURE: 853200 -317.301 -208.646 184.957 -208.646 -148.23 132.031 184.957 132.03 -239.418 GPRESSURE: 853200 -218.758 -181.672 176.072 -270.835 -117.774 67.2489 71.7704 9.57249 -263.321 PRESSAVG: 853200 -48.2491 -18.8282 8.44459 -18.8282 7.30382 17.5626 8.44461 17.5626 -10.3824 GPRESSAVG: 853200 -48.808 -19.4718 9.17369 -17.5312 7.23297 17.6146 8.47529 15.5542 -10.2088 TIMING: 853200 CPU: 2696.48, 0.00314238/step Wall: 2696.48, 0.00314238/step, 3.61967 hours remaining, 233.273438 MB of memory in use. ENERGY: 853200 4017.9330 20375.4641 14480.1623 254.8060 -203350.8162 2603.8747 0.0000 0.0000 51845.9178 -109772.6584 297.9592 -161618.5762 -109401.9432 298.5322 -234.9828 -199.9513 761672.0170 -17.1092 -17.2613 PRESSURE: 853400 -221.092 15.9544 -168.302 15.9555 -82.3115 127.093 -168.301 127.092 -736.083 GPRESSURE: 853400 -155.575 -22.1384 -167.941 -67.0065 -94.6897 93.3858 -225.82 271.632 -727.948 PRESSAVG: 853400 -31.0297 36.5775 -18.2431 36.5775 -40.0425 38.9429 -18.2431 38.9428 -8.65924 GPRESSAVG: 853400 -29.8114 37.1374 -19.6923 35.7238 -40.4214 37.457 -20.7394 40.005 -9.66579 TIMING: 853400 CPU: 2697.11, 0.00316521/step Wall: 2697.11, 0.00316521/step, 3.6458 hours remaining, 233.261719 MB of memory in use. ENERGY: 853400 4003.3037 20612.2306 14449.5526 246.5773 -202864.0435 2327.6165 0.0000 0.0000 51779.7939 -109444.9690 297.5792 -161224.7629 -109090.8064 299.0304 -346.4954 -326.0711 764030.3477 -26.5771 -26.6329 PRESSURE: 853600 -30.6204 -324.656 -21.023 -324.657 -76.1433 -115.533 -21.0234 -115.533 -432.7 GPRESSURE: 853600 36.1728 -199.51 -16.6365 -280.572 -111.095 -17.9341 76.1612 -47.101 -375.393 PRESSAVG: 853600 23.1467 -21.8283 -33.3718 -21.8284 -6.61829 -13.7574 -33.3718 -13.7574 -18.0876 GPRESSAVG: 853600 22.6436 -20.3679 -32.1614 -23.6809 -6.24221 -11.2703 -33.3229 -13.874 -17.953 TIMING: 853600 CPU: 2697.74, 0.00315962/step Wall: 2697.74, 0.00315962/step, 3.63918 hours remaining, 233.261719 MB of memory in use. ENERGY: 853600 3948.3157 20556.2168 14427.0922 261.0329 -202779.1448 2203.7850 0.0000 0.0000 51755.5054 -109627.1968 297.4396 -161382.7022 -109280.2904 298.4840 -179.8211 -150.1050 762726.2729 -0.5197 -0.5172 PRESSURE: 853800 120.455 76.2302 88.2822 76.2305 52.4981 145.302 88.2819 145.303 222.877 GPRESSURE: 853800 40.1928 148.778 106.135 -22.2593 180.046 213.263 45.8913 115.794 251.018 PRESSAVG: 853800 -11.4417 -39.5189 -1.7948 -39.519 15.5944 17.9199 -1.79485 17.9199 5.12452 GPRESSAVG: 853800 -11.5351 -38.8219 -1.39829 -39.1522 15.871 16.0914 -2.7744 18.2149 5.27614 TIMING: 853800 CPU: 2698.37, 0.00316086/step Wall: 2698.37, 0.00316085/step, 3.64043 hours remaining, 233.273438 MB of memory in use. ENERGY: 853800 3915.6574 20549.4866 14428.1683 240.0517 -203415.8867 2744.9154 0.0000 0.0000 51938.9703 -109598.6369 298.4940 -161537.6073 -109234.5313 298.8910 131.9435 157.0855 762335.2468 3.0924 3.2040 PRESSURE: 854000 -187.915 108.002 91.2403 108.004 -70.4531 -14.5524 91.2407 -14.5514 18.524 GPRESSURE: 854000 -134.867 185.983 160.005 135.728 -64.6668 83.2855 125.105 -37.6037 66.709 PRESSAVG: 854000 10.764 -39.7039 -27.649 -39.7039 2.94348 58.963 -27.6491 58.963 -10.6221 GPRESSAVG: 854000 11.4211 -42.174 -29.1878 -37.7222 2.20892 58.4309 -26.7958 58.7462 -10.6047 TIMING: 854000 CPU: 2699, 0.00313687/step Wall: 2699, 0.00313687/step, 3.61263 hours remaining, 233.273438 MB of memory 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 4001.0201 20574.7269 14442.1418 264.9317 -203491.2582 2512.7419 0.0000 0.0000 52120.2909 -109575.4050 299.5360 -161695.6959 -109216.3191 298.9075 -79.9480 -44.2748 761647.2691 1.0285 1.0084 PRESSURE: 854200 -42.2207 -281.019 165.04 -281.019 187.825 -15.8078 165.04 -15.8079 368.142 GPRESSURE: 854200 64.5665 -258.73 71.4262 -312.261 171.923 -57.1911 207.822 96.9424 342.247 PRESSAVG: 854200 -53.9443 -36.1394 -45.2061 -36.1394 37.8677 -10.5139 -45.206 -10.5139 -4.91813 GPRESSAVG: 854200 -54.6821 -33.1636 -43.0613 -35.7388 39.3037 -9.53514 -45.2414 -10.3789 -5.19558 TIMING: 854200 CPU: 2699.63, 0.0031438/step Wall: 2699.63, 0.0031438/step, 3.62043 hours remaining, 233.273438 MB of memory in use. ENERGY: 854200 3994.4331 20490.3771 14400.6431 257.1624 -203468.5157 2683.7457 0.0000 0.0000 52002.9277 -109639.2267 298.8615 -161642.1544 -109269.8421 298.9797 171.2489 192.9121 762251.4946 -6.9982 -6.8580 PRESSURE: 854400 -223.75 42.1653 143.04 42.1661 30.4761 46.5016 143.039 46.5012 162.042 GPRESSURE: 854400 -214.62 80.2554 94.3187 16.0393 144.341 47.5361 259.409 101.489 117.805 PRESSAVG: 854400 16.7534 -6.40836 44.0763 -6.4084 26.3531 21.6074 44.0763 21.6075 25.8551 GPRESSAVG: 854400 16.9921 -10.3228 42.7674 -5.31828 26.6428 20.8667 46.3058 22.9736 24.9731 TIMING: 854400 CPU: 2700.26, 0.00313454/step Wall: 2700.26, 0.00313454/step, 3.60959 hours remaining, 233.273438 MB of memory in use. ENERGY: 854400 3969.7239 20401.8689 14435.1244 274.7830 -203243.2820 2689.6301 0.0000 0.0000 52074.1827 -109397.9690 299.2710 -161472.1517 -109035.4822 298.8946 -10.4107 15.8422 762222.9289 22.9872 22.8694 PRESSURE: 854600 463.076 -132.187 -155.108 -132.188 -62.5404 162.319 -155.107 162.32 -187.906 GPRESSURE: 854600 449.781 -204.721 -89.0825 -117.515 -4.60411 86.4592 -101.16 230.741 -129.917 PRESSAVG: 854600 -22.104 -6.45428 15.2211 -6.45427 -13.8954 77.4763 15.2211 77.4762 -1.41996 GPRESSAVG: 854600 -21.7713 -4.80989 16.0443 -6.95236 -13.8282 78.2931 14.4393 76.7492 -1.45869 TIMING: 854600 CPU: 2700.89, 0.00317073/step Wall: 2700.89, 0.00317073/step, 3.65109 hours remaining, 233.273438 MB of memory in use. ENERGY: 854600 4000.3665 20417.0263 14400.6319 247.7081 -203280.3236 2900.1232 0.0000 0.0000 51997.6635 -109316.8042 298.8313 -161314.4677 -108947.2712 299.1520 70.8767 105.0867 761673.9363 -12.4731 -12.3527 PRESSURE: 854800 359.824 -103.654 200.514 -103.655 276.968 -38.6046 200.515 -38.6048 -261.27 GPRESSURE: 854800 346.378 96.3953 157.921 -108.866 277.889 -90.1334 182.517 32.2575 -168.167 PRESSAVG: 854800 11.4997 -16.8949 5.40409 -16.8949 -13.8289 -48.1611 5.40406 -48.1611 15.8953 GPRESSAVG: 854800 11.7183 -14.8719 3.2833 -18.6076 -15.4107 -48.5114 6.78513 -49.4493 16.9256 TIMING: 854800 CPU: 2701.52, 0.00315678/step Wall: 2701.52, 0.00315678/step, 3.63486 hours remaining, 233.261719 MB of memory in use. ENERGY: 854800 3931.6399 20547.3157 14455.9088 242.9467 -203281.7305 2713.1080 0.0000 0.0000 52257.1068 -109133.7045 300.3223 -161390.8113 -108784.0797 299.8374 125.1740 152.0330 761418.4605 4.5221 4.4111 PRESSURE: 855000 -226.379 246.527 -85.4335 246.527 70.1551 -152.517 -85.4338 -152.517 -194.351 GPRESSURE: 855000 -192.339 136.516 -78.9019 137.135 93.5503 -73.9655 -132.139 -237.712 -175.139 PRESSAVG: 855000 -13.9517 -8.31195 68.4946 -8.312 1.07867 -45.6359 68.4946 -45.6358 10.8821 GPRESSAVG: 855000 -13.6214 -10.4041 71.361 -7.71384 0.526948 -45.5634 65.9162 -45.2877 11.2216 TIMING: 855000 CPU: 2702.15, 0.00316508/step Wall: 2702.15, 0.00316508/step, 3.64424 hours remaining, 233.261719 MB of memory in use. ENERGY: 855000 3924.9029 20603.3602 14479.7665 233.7731 -203281.5789 2758.3022 0.0000 0.0000 51870.4053 -109411.0687 298.0999 -161281.4740 -109055.8805 298.8606 -116.8581 -91.3091 762730.5675 -0.6636 -0.6243 PRESSURE: 855200 -36.6203 -50.1217 -194.062 -50.1209 229.293 69.5637 -194.062 69.5631 516.436 GPRESSURE: 855200 99.1912 -76.1607 -256.97 148.114 218.335 -22.1935 -64.4555 126.267 480.315 PRESSAVG: 855200 -14.5222 28.7512 -1.64504 28.7512 1.04145 -1.44352 -1.64507 -1.44352 -10.0654 GPRESSAVG: 855200 -15.3038 28.6386 -4.07083 30.8549 2.13861 -0.201381 1.7725 -0.733607 -10.3345 TIMING: 855200 CPU: 2702.79, 0.00317052/step Wall: 2702.79, 0.00317052/step, 3.65033 hours remaining, 233.261719 MB of memory in use. ENERGY: 855200 3986.3826 20423.4996 14470.0691 264.4094 -203471.9782 2861.2016 0.0000 0.0000 52195.1643 -109271.2517 299.9663 -161466.4160 -108896.4834 299.4952 236.3695 265.9469 761933.0676 -7.8487 -7.8332 PRESSURE: 855400 124.617 186.569 66.9866 186.568 258.79 38.1593 66.9875 38.1595 64.1111 GPRESSURE: 855400 165.141 235.087 41.3498 120.489 275.669 18.0729 50.2592 159.738 73.6815 PRESSAVG: 855400 -2.8698 4.34685 -21.3286 4.34687 -36.8236 -38.1785 -21.3286 -38.1785 -22.3388 GPRESSAVG: 855400 -2.55425 2.92207 -20.5813 4.26071 -37.6866 -40.1435 -23.4594 -36.3654 -22.37 TIMING: 855400 CPU: 2703.42, 0.00316578/step Wall: 2703.42, 0.00316578/step, 3.64469 hours remaining, 233.261719 MB of memory in use. ENERGY: 855400 4013.4728 20582.7203 14480.7241 235.4610 -203325.3165 2780.2724 0.0000 0.0000 52258.9373 -108973.7286 300.3328 -161232.6659 -108610.6761 299.8163 149.1726 171.4974 762194.0875 -20.6774 -20.8703 PRESSURE: 855600 27.7343 67.4023 176.062 67.4028 -125.186 223.909 176.062 223.909 225.605 GPRESSURE: 855600 87.7681 -7.50106 101.597 103.627 -94.5974 225.204 189.582 143.63 209.419 PRESSAVG: 855600 -0.749077 10.3063 32.3791 10.3063 24.4484 16.9205 32.3791 16.9206 16.4009 GPRESSAVG: 855600 -0.267839 11.6123 31.1844 8.3723 24.705 17.6834 33.5053 14.3617 15.6446 TIMING: 855600 CPU: 2704.05, 0.0031661/step Wall: 2704.05, 0.0031661/step, 3.64489 hours remaining, 233.261719 MB of memory in use. ENERGY: 855600 4010.8852 20609.2971 14478.7119 255.7169 -202952.1749 2293.6150 0.0000 0.0000 52204.1619 -109099.7871 300.0180 -161303.9490 -108729.7109 299.9123 42.7178 67.5298 762033.1980 13.3667 13.3606 PRESSURE: 855800 -314.898 29.3893 52.4503 29.3891 8.66616 -234.165 52.4491 -234.167 -172.596 GPRESSURE: 855800 -260.227 -98.5403 2.35622 5.97322 44.0619 -251.087 65.5018 22.0085 -187.789 PRESSAVG: 855800 37.3089 41.4852 -8.59031 41.4851 -41.4198 2.49825 -8.5903 2.49826 -37.7606 GPRESSAVG: 855800 37.1523 42.4202 -7.27438 40.7171 -41.5332 0.998812 -11.6536 4.53663 -37.999 TIMING: 855800 CPU: 2704.68, 0.00315182/step Wall: 2704.68, 0.00315182/step, 3.62827 hours remaining, 233.261719 MB of memory in use. ENERGY: 855800 3950.0871 20661.6789 14456.3927 256.7851 -203334.9909 2630.1365 0.0000 0.0000 52292.9795 -109086.9311 300.5285 -161379.9106 -108727.5017 299.8469 -159.6093 -134.6512 762292.1030 -13.9571 -14.1266 PRESSURE: 856000 -64.1671 148.677 153.279 148.677 44.2085 73.3673 153.279 73.367 77.2979 GPRESSURE: 856000 -78.6276 120.849 195.442 158.913 138.876 144.661 164.289 -155.618 82.6147 PRESSAVG: 856000 21.0704 -11.3512 20.45 -11.3511 35.5734 7.97346 20.4499 7.97347 7.58679 GPRESSAVG: 856000 20.2502 -10.0675 21.1203 -10.8906 35.641 7.95503 21.2162 7.36139 8.50942 TIMING: 856000 CPU: 2705.31, 0.00314868/step Wall: 2705.31, 0.00314868/step, 3.62448 hours remaining, 233.261719 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: 856000 3999.6786 20475.7830 14484.5920 256.7403 -203438.5316 2931.7600 0.0000 0.0000 52182.1174 -109107.8602 299.8913 -161289.9776 -108739.6975 299.9054 19.1131 47.6210 762378.3085 21.4102 21.4669 PRESSURE: 856200 348.195 52.1332 -12.9571 52.1343 134.241 151.792 -12.9563 151.792 415.841 GPRESSURE: 856200 443.451 -11.4937 57.4576 78.8795 124.573 264.989 -82.2336 131.8 425.063 PRESSAVG: 856200 -24.4613 22.2993 40.0347 22.2994 9.91307 -22.8463 40.0347 -22.8463 5.66169 GPRESSAVG: 856200 -22.9527 21.2477 38.7369 21.1285 9.38391 -23.0485 40.5665 -23.9772 5.16332 TIMING: 856200 CPU: 2705.94, 0.00313655/step Wall: 2705.94, 0.00313655/step, 3.61035 hours remaining, 233.265625 MB of memory in use. ENERGY: 856200 3872.4281 20441.5236 14417.2694 228.3979 -203032.0964 2752.6963 0.0000 0.0000 52178.7068 -109141.0744 299.8717 -161319.7811 -108771.4657 299.6799 299.4257 331.0293 761963.0494 -2.9622 -2.8018 LDB: ============= START OF LOAD BALANCING ============== 2718.47 LDB: ============== END OF LOAD BALANCING =============== 2718.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2718.47 LDB: ============= START OF LOAD BALANCING ============== 2718.79 LDB: Largest compute 7058 load 0.028733 is 14.7% of average load 0.195290 LDB: Average compute 0.004374 is 2.2% of average load 0.195290 LDB: TIME 2718.79 LOAD: AVG 0.19529 MAX 0.216267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.844 MB LDB: TIME 2718.79 LOAD: AVG 0.19529 MAX 0.216267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: TIME 2718.79 LOAD: AVG 0.19529 MAX 0.216267 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.844 MB LDB: ============== END OF LOAD BALANCING =============== 2718.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2718.8 PRESSURE: 856400 -43.1963 -131.657 14.9288 -131.656 33.8452 -56.2011 14.9288 -56.1993 -175.95 GPRESSURE: 856400 -8.23693 -88.31 -25.6513 -113.261 -47.0719 -103.424 1.70496 -66.2828 -53.6463 PRESSAVG: 856400 0.409637 0.620193 2.98205 0.62015 0.315717 21.5116 2.98202 21.5116 14.9403 GPRESSAVG: 856400 0.511175 -1.20309 3.66849 2.38559 -0.562011 23.5922 3.6842 20.7712 15.8054 TIMING: 856400 CPU: 2706.58, 0.00321287/step Wall: 2706.58, 0.00321287/step, 3.69801 hours remaining, 233.640625 MB of memory in use. ENERGY: 856400 3906.5033 20602.5750 14456.5887 271.2356 -203143.4991 2513.8609 0.0000 0.0000 52054.5312 -109338.2046 299.1581 -161392.7357 -108968.1171 299.4811 -61.7671 -36.3184 761874.6294 5.2219 5.2515 PRESSURE: 856600 -126.442 22.2973 -75.0053 22.2977 -106.397 42.9588 -75.0048 42.9576 250.331 GPRESSURE: 856600 -193.802 -2.15342 -103.363 51.9815 54.8465 71.4344 -53.3726 -51.3251 228.051 PRESSAVG: 856600 -49.5214 -4.88889 9.53365 -4.88887 26.3477 25.8558 9.53363 25.8558 -6.645 GPRESSAVG: 856600 -49.3757 -3.56564 9.41007 -7.3461 26.6015 24.9356 10.7229 27.5552 -6.84737 TIMING: 856600 CPU: 2707.21, 0.00314808/step Wall: 2707.21, 0.00314808/step, 3.62326 hours remaining, 233.843750 MB of memory in use. ENERGY: 856600 3978.8610 20542.1233 14411.3804 241.3622 -203253.4705 2786.0317 0.0000 0.0000 52100.6185 -109193.0933 299.4230 -161293.7118 -108830.0212 299.5576 5.8305 29.6984 762915.4736 -9.9396 -9.8739 PRESSURE: 856800 -55.1516 -124.275 -25.9138 -124.276 -209.197 128.364 -25.9147 128.364 -103.796 GPRESSURE: 856800 -24.2324 -133.897 80.1283 -115.628 -221.311 141.111 -74.5831 -47.5481 -28.8511 PRESSAVG: 856800 -46.8576 -1.1809 33.2583 -1.18092 36.5005 17.1127 33.2583 17.1127 -8.03461 GPRESSAVG: 856800 -48.863 -2.14761 34.1995 2.50896 37.0925 17.104 32.9371 16.5 -7.09288 TIMING: 856800 CPU: 2707.84, 0.00313341/step Wall: 2707.84, 0.00313341/step, 3.60621 hours remaining, 233.843750 MB of memory in use. ENERGY: 856800 3919.8983 20399.8386 14452.7620 249.2099 -203254.3236 2863.6575 0.0000 0.0000 52290.2820 -109078.6754 300.5130 -161368.9574 -108707.6275 299.6311 -122.7148 -91.4648 762194.4526 -6.1306 -6.2878 PRESSURE: 857000 -146.102 -184.88 83.878 -184.88 -179.979 186.95 83.8782 186.951 -520.827 GPRESSURE: 857000 -175.284 -278.353 104.712 -168.492 -136.992 121.165 128.769 208.493 -422.322 PRESSAVG: 857000 0.158144 17.5576 52.5849 17.5575 -14.9038 -42.9509 52.5848 -42.9508 9.80446 GPRESSAVG: 857000 1.16274 15.7146 51.7374 14.7472 -14.4822 -42.7507 51.4191 -44.3032 8.79526 TIMING: 857000 CPU: 2708.47, 0.00313306/step Wall: 2708.47, 0.00313306/step, 3.60563 hours remaining, 233.843750 MB of memory in use. ENERGY: 857000 3986.6886 20407.1502 14490.6926 238.1276 -203370.7086 2580.1804 0.0000 0.0000 52542.0336 -109125.8356 301.9598 -161667.8692 -108761.1714 299.6228 -282.3028 -244.8661 760714.7207 -1.6471 -1.5081 PRESSURE: 857200 42.9633 68.1901 17.5239 68.1912 -161.088 -5.948 17.5243 -5.94722 -132.92 GPRESSURE: 857200 23.7795 71.4861 19.7452 38.5384 -100.989 64.322 -157.263 135.017 -75.7741 PRESSAVG: 857200 -14.6114 -4.32257 61.2435 -4.32249 17.7177 -26.5004 61.2436 -26.5003 6.61004 GPRESSAVG: 857200 -15.0393 -4.33612 59.4939 -1.85004 17.8311 -24.9226 62.58 -25.688 7.17241 TIMING: 857200 CPU: 2709.09, 0.00313279/step Wall: 2709.09, 0.00313279/step, 3.60514 hours remaining, 234.035156 MB of memory in use. ENERGY: 857200 4067.1274 20549.1025 14464.4545 245.2468 -203132.9652 2695.9261 0.0000 0.0000 52126.9308 -108984.1771 299.5742 -161111.1080 -108626.9251 299.7746 -83.6813 -50.9944 761903.2761 3.2388 3.3214 PRESSURE: 857400 -322.61 -109.502 103.617 -109.502 -277.304 127.906 103.618 127.906 95.693 GPRESSURE: 857400 -183.562 -58.0984 203.348 -164.231 -284.621 167.271 -131.345 106.165 48.7272 PRESSAVG: 857400 18.4415 25.6399 -14.8333 25.6399 -11.4777 -13.4237 -14.8333 -13.4238 -8.58598 GPRESSAVG: 857400 18.0419 27.7575 -13.1273 22.6181 -12.5563 -14.293 -15.7098 -13.917 -8.02894 TIMING: 857400 CPU: 2709.72, 0.00315514/step Wall: 2709.72, 0.00315514/step, 3.63069 hours remaining, 234.035156 MB of memory in use. ENERGY: 857400 4026.3414 20560.5038 14482.7671 248.3997 -202819.7401 2413.0225 0.0000 0.0000 52294.7077 -108793.9979 300.5384 -161088.7056 -108433.4262 300.0170 -168.0733 -139.8187 762290.1366 -0.5407 -0.8478 PRESSURE: 857600 -330.262 47.4434 -120.797 47.4426 -393.939 17.8753 -120.797 17.8756 -177.59 GPRESSURE: 857600 -268.197 -32.5255 -96.8866 38.0588 -306.589 69.0906 -113.107 -37.2193 -243.031 PRESSAVG: 857600 49.8143 26.8126 -49.4858 26.8126 -42.5695 34.4927 -49.4858 34.4927 8.6616 GPRESSAVG: 857600 49.3106 25.4378 -49.6165 28.9924 -42.8269 32.6936 -48.9111 35.2706 9.48922 TIMING: 857600 CPU: 2710.36, 0.00316861/step Wall: 2710.36, 0.00316861/step, 3.64601 hours remaining, 234.035156 MB of memory in use. ENERGY: 857600 4052.5657 20556.0729 14436.0067 217.5822 -202585.8631 2226.2841 0.0000 0.0000 52148.9820 -108948.3695 299.7009 -161097.3515 -108582.5482 299.9811 -300.5969 -272.6056 764027.7797 5.3022 5.3243 PRESSURE: 857800 243.762 -88.1478 137.392 -88.1473 125.581 10.8488 137.392 10.8489 68.4218 GPRESSURE: 857800 240.497 -136.046 62.4088 -171.323 162.016 -7.21219 156.068 41.3825 108.883 PRESSAVG: 857800 3.69136 12.2467 -44.2138 12.2466 -3.74703 0.148857 -44.2138 0.148808 4.38721 GPRESSAVG: 857800 4.64694 13.7359 -46.2596 10.0164 -2.56835 1.53001 -42.8885 0.735036 1.91239 TIMING: 857800 CPU: 2710.99, 0.00315799/step Wall: 2710.99, 0.00315799/step, 3.63362 hours remaining, 234.035156 MB of memory in use. ENERGY: 857800 4034.4069 20567.8580 14503.3936 262.9234 -203578.8704 2845.5087 0.0000 0.0000 52469.9555 -108894.8243 301.5456 -161364.7799 -108534.6835 300.0386 145.9216 170.4656 761001.9042 1.4438 1.3303 PRESSURE: 858000 64.2943 104.81 -45.7518 104.81 83.6046 -279.71 -45.7519 -279.71 214.293 GPRESSURE: 858000 -1.8057 170.473 95.5196 94.2563 228.501 -279.15 19.5572 -214.214 232.406 PRESSAVG: 858000 14.3257 -2.31342 26.7673 -2.31342 13.7087 -2.53986 26.7673 -2.53993 -12.791 GPRESSAVG: 858000 14.2404 -5.00379 29.2065 0.0912843 13.0225 -2.72848 26.1005 -3.31306 -11.394 TIMING: 858000 CPU: 2711.62, 0.00314205/step Wall: 2711.62, 0.00314205/step, 3.6151 hours remaining, 234.035156 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: 858000 3915.6318 20620.3358 14457.3515 266.6380 -203310.4712 2932.3428 0.0000 0.0000 52340.3918 -108777.7796 300.8010 -161118.1714 -108397.9883 300.5864 120.7307 153.0336 761946.9282 5.0812 5.2897 PRESSURE: 858200 18.3696 -9.12703 -94.497 -9.1272 13.4528 -187.733 -94.4973 -187.734 -130.963 GPRESSURE: 858200 5.765 81.3446 -171.653 73.3125 159.641 -213.737 -24.978 8.28354 -166.964 PRESSAVG: 858200 -29.8083 -2.4861 13.0683 -2.48613 -1.99731 -7.5806 13.0684 -7.5806 -0.595585 GPRESSAVG: 858200 -31.605 0.232357 11.0541 -3.1028 0.243472 -8.30408 10.5789 -7.24367 -1.18164 TIMING: 858200 CPU: 2712.25, 0.00313258/step Wall: 2712.25, 0.00313258/step, 3.60403 hours remaining, 234.035156 MB of memory in use. ENERGY: 858200 4008.5716 20693.9267 14520.3282 233.3883 -202739.4248 2432.5145 0.0000 0.0000 52107.9921 -108742.7034 299.4653 -160850.6955 -108386.9266 300.3423 -33.0468 -0.5192 761462.1438 -10.8004 -10.8477 PRESSURE: 858400 -128.202 -109.874 96.0877 -109.874 215.372 -12.7675 96.0873 -12.7664 -310.033 GPRESSURE: 858400 4.0828 -167.391 91.8605 -68.7654 117.552 -43.7458 97.514 -12.5024 -256.641 PRESSAVG: 858400 -32.6977 30.7358 12.371 30.7358 20.7358 -53.7749 12.371 -53.7749 -12.3157 GPRESSAVG: 858400 -31.3053 30.3292 12.695 30.7092 18.3622 -54.3814 12.8281 -53.6386 -11.4047 TIMING: 858400 CPU: 2712.87, 0.00313081/step Wall: 2712.87, 0.00313081/step, 3.60183 hours remaining, 234.035156 MB of memory in use. ENERGY: 858400 3938.5257 20436.5181 14455.6938 240.6004 -203196.8268 2621.8110 0.0000 0.0000 52607.1911 -108896.4867 302.3343 -161503.6778 -108528.3845 300.1755 -74.2880 -45.0020 763428.5379 -8.0925 -8.1159 PRESSURE: 858600 143.076 177.372 101.468 177.372 -59.3273 -33.1531 101.468 -33.1529 -248.187 GPRESSURE: 858600 245.091 129.047 74.9599 96.0902 -99.3971 -53.3357 50.3029 -31.8074 -213.984 PRESSAVG: 858600 17.7642 63.3139 66.114 63.3138 51.0202 -52.3618 66.114 -52.3618 -28.1218 GPRESSAVG: 858600 18.1728 64.1275 68.4809 63.0786 51.4585 -51.9345 66.4002 -51.1114 -28.7797 TIMING: 858600 CPU: 2713.5, 0.00314546/step Wall: 2713.5, 0.00314546/step, 3.6185 hours remaining, 234.035156 MB of memory in use. ENERGY: 858600 4042.6998 20357.3519 14401.2473 246.0435 -202988.1660 2595.6530 0.0000 0.0000 52342.5184 -109002.6522 300.8132 -161345.1706 -108638.6010 300.1468 -54.8128 -22.7633 762150.6027 13.5542 13.6172 PRESSURE: 858800 -160.088 140.551 -34.2547 140.551 57.9708 88.5565 -34.2549 88.557 298.76 GPRESSURE: 858800 -181.71 122.154 -85.1273 127.646 95.441 91.9506 -21.3546 99.9224 345.178 PRESSAVG: 858800 -53.0171 -5.67002 -54.9201 -5.67 36.9855 -31.634 -54.9201 -31.6339 15.1119 GPRESSAVG: 858800 -52.7435 -5.73059 -58.4425 -5.01127 36.405 -31.5452 -51.9971 -32.5152 14.9934 TIMING: 858800 CPU: 2714.13, 0.00314463/step Wall: 2714.13, 0.00314463/step, 3.61737 hours remaining, 234.035156 MB of memory in use. ENERGY: 858800 4046.6622 20593.3730 14429.8547 268.6432 -203166.2011 2907.7799 0.0000 0.0000 51917.7412 -109002.1469 298.3720 -160919.8881 -108645.3442 299.4314 65.5474 86.3029 763104.3680 -0.3066 -0.4483 PRESSURE: 859000 -100.862 36.5506 35.9686 36.551 -296.288 -111.597 35.9687 -111.597 40.408 GPRESSURE: 859000 -26.6611 -20.3654 113.854 12.7785 -254.685 -108.188 -38.809 -82.2662 -3.71384 PRESSAVG: 859000 -114.502 -33.2974 15.4323 -33.2975 85.4718 36.1794 15.4323 36.1794 -7.84586 GPRESSAVG: 859000 -115.013 -35.1762 18.916 -34.0275 85.8463 36.3561 11.6234 35.4564 -8.21949 TIMING: 859000 CPU: 2714.76, 0.00315282/step Wall: 2714.76, 0.00315282/step, 3.62662 hours remaining, 234.035156 MB of memory in use. ENERGY: 859000 3979.5326 20632.2639 14527.5609 240.4981 -202553.7625 2225.3033 0.0000 0.0000 52075.4655 -108873.1381 299.2784 -160948.6036 -108512.2924 299.5723 -118.9140 -95.0199 762317.4725 -12.2922 -12.4619 PRESSURE: 859200 195.061 -138.079 -1.49843 -138.078 -77.2484 -233.349 -1.49814 -233.349 201.545 GPRESSURE: 859200 209.847 -100.129 -121.725 -30.1619 3.68007 -224.671 59.8167 -232.342 206.423 PRESSAVG: 859200 19.4709 20.0198 -17.3309 20.0198 4.78663 10.3681 -17.3309 10.3681 -3.20626 GPRESSAVG: 859200 18.3192 22.1943 -17.5108 19.4491 4.60501 10.4516 -14.3081 9.92807 -2.0979 TIMING: 859200 CPU: 2715.39, 0.00315242/step Wall: 2715.39, 0.00315242/step, 3.62599 hours remaining, 234.035156 MB of memory in use. ENERGY: 859200 3933.1365 20651.4246 14388.5754 266.2913 -202891.0953 2688.2986 0.0000 0.0000 52062.9302 -108900.4388 299.2064 -160963.3690 -108543.8111 300.3031 106.4524 139.9835 762215.0546 7.0171 6.9421 PRESSURE: 859400 180.246 -51.3109 296.946 -51.3095 -42.7308 -69.486 296.946 -69.4861 -362.425 GPRESSURE: 859400 161.3 -51.541 342.409 -142.238 -0.527908 -129.962 359.531 -9.12383 -290.069 PRESSAVG: 859400 -2.1751 -31.1675 1.41032 -31.1676 -8.53396 -4.55809 1.41035 -4.55812 -6.94854 GPRESSAVG: 859400 -1.49317 -31.8106 0.582623 -30.1123 -8.80815 -6.37128 0.674104 -3.30614 -7.65068 TIMING: 859400 CPU: 2716.02, 0.00314271/step Wall: 2716.02, 0.00314271/step, 3.61464 hours remaining, 234.035156 MB of memory in use. ENERGY: 859400 3974.0819 20461.4557 14412.1583 236.8484 -203107.0871 2750.9732 0.0000 0.0000 52399.4322 -108872.1374 301.1403 -161271.5696 -108510.8172 299.9241 -74.9701 -43.0988 763216.6450 -5.8859 -5.9840 PRESSURE: 859600 -351.48 0.0151826 103.064 0.0155453 -140.202 -330.755 103.064 -330.755 223.171 GPRESSURE: 859600 -223.681 -32.7792 144.568 -5.84387 -135.841 -322.794 43.0452 -268.474 167.143 PRESSAVG: 859600 -29.0898 16.8345 8.21153 16.8345 62.6209 -33.0247 8.2116 -33.0246 -8.25732 GPRESSAVG: 859600 -28.5762 14.4411 7.20858 18.7592 62.2424 -31.6513 7.35908 -31.4125 -8.98821 TIMING: 859600 CPU: 2716.65, 0.00313216/step Wall: 2716.65, 0.00313216/step, 3.60233 hours remaining, 234.035156 MB of memory in use. ENERGY: 859600 4032.1880 20580.4285 14462.6714 268.9111 -203032.2675 2591.0874 0.0000 0.0000 52249.8629 -108847.1183 300.2807 -161096.9812 -108479.4310 300.5313 -89.5038 -64.1264 761732.7974 8.4246 8.2260 PRESSURE: 859800 -134.309 69.9963 -65.5539 69.9966 -579.163 -69.9131 -65.5548 -69.912 -583.104 GPRESSURE: 859800 -172.628 92.6726 6.88441 84.3666 -560.322 -78.353 -116.074 -104.486 -493.406 PRESSAVG: 859800 -31.4625 18.6697 -6.36552 18.6697 26.9686 -1.63676 -6.36548 -1.63667 21.8881 GPRESSAVG: 859800 -32.2898 20.0774 -3.08397 17.8456 27.1335 -0.982447 -6.85757 -4.13988 22.1834 TIMING: 859800 CPU: 2717.28, 0.00315654/step Wall: 2717.28, 0.00315654/step, 3.6302 hours remaining, 234.035156 MB of memory in use. ENERGY: 859800 4095.7188 20678.8662 14432.0338 256.0929 -202652.4174 2439.3520 0.0000 0.0000 51932.0574 -108818.2963 298.4542 -160750.3538 -108452.8650 300.5041 -432.1922 -408.7854 763744.2314 5.7981 5.6757 PRESSURE: 860000 558.525 155.007 108.915 155.007 209.104 64.4086 108.915 64.4072 -84.0558 GPRESSURE: 860000 500.13 51.9015 24.9495 127.014 322.411 89.8176 144.515 15.2548 -49.1751 PRESSAVG: 860000 -37.9016 9.50317 1.79982 9.5031 49.8624 -7.81309 1.79987 -7.81305 2.35222 GPRESSAVG: 860000 -37.798 10.1105 -0.370393 8.16755 49.6821 -8.23784 1.74683 -6.64188 2.42776 TIMING: 860000 CPU: 2717.92, 0.00320444/step Wall: 2717.92, 0.00320444/step, 3.6851 hours remaining, 234.035156 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: 860000 4018.9181 20507.4396 14480.0854 238.5668 -203454.1469 2955.6578 0.0000 0.0000 52289.6468 -108963.8324 300.5093 -161253.4792 -108605.4320 300.0822 227.8576 257.7884 763210.6447 4.7710 4.7706 PRESSURE: 860200 99.3528 -50.2336 158.623 -50.234 62.2337 -39.4172 158.622 -39.4167 186.38 GPRESSURE: 860200 251.736 3.51182 214.005 -142.01 37.5203 -110.665 100.375 -28.1552 123.979 PRESSAVG: 860200 5.54255 5.11658 14.4094 5.11657 -3.36306 -1.5799 14.4093 -1.57987 0.25122 GPRESSAVG: 860200 5.58593 4.24104 14.5547 5.777 -2.90063 -1.3577 14.124 -0.435922 -0.586315 TIMING: 860200 CPU: 2718.55, 0.0031858/step Wall: 2718.55, 0.0031858/step, 3.66349 hours remaining, 234.035156 MB of memory in use. ENERGY: 860200 4007.2669 20451.1320 14419.2538 237.2539 -203317.4911 2948.6218 0.0000 0.0000 52061.3029 -109192.6599 299.1970 -161253.9627 -108831.8521 299.5023 115.9889 137.7450 762335.3016 0.8102 0.6997 LDB: ============= START OF LOAD BALANCING ============== 2731.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2731.09 LDB: =============== DONE WITH MIGRATION ================ 2731.09 LDB: ============= START OF LOAD BALANCING ============== 2731.4 LDB: Largest compute 7036 load 0.030164 is 15.4% of average load 0.195240 LDB: Average compute 0.004375 is 2.2% of average load 0.195240 LDB: TIME 2731.41 LOAD: AVG 0.19524 MAX 0.215289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 2731.41 LOAD: AVG 0.19524 MAX 0.215289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.152 MB LDB: TIME 2731.41 LOAD: AVG 0.19524 MAX 0.215289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.152 MB LDB: ============== END OF LOAD BALANCING =============== 2731.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2731.41 PRESSURE: 860400 -164.72 86.5675 -141.582 86.5678 173.512 257.21 -141.581 257.21 24.306 GPRESSURE: 860400 -104.494 19.7449 -207.51 -10.38 241.678 234.363 -104.767 326.129 -16.3671 PRESSAVG: 860400 -16.7436 33.2256 -15.0048 33.2256 -38.0151 73.4691 -15.0048 73.4691 -36.562 GPRESSAVG: 860400 -16.875 34.3546 -16.518 32.3605 -37.4704 71.9681 -13.8575 73.5706 -36.6148 TIMING: 860400 CPU: 2719.2, 0.00321926/step Wall: 2719.2, 0.00321926/step, 3.70179 hours remaining, 232.667969 MB of memory in use. ENERGY: 860400 3988.2962 20506.9631 14488.6963 254.1054 -202938.1961 2562.0562 0.0000 0.0000 51837.8092 -109300.2697 297.9126 -161138.0789 -108941.6289 298.7946 11.0325 40.2725 763193.0912 -30.4402 -30.3201 PRESSURE: 860600 154.082 -108.283 -14.0625 -108.283 426.088 33.1095 -14.064 33.109 350.934 GPRESSURE: 860600 192.419 -123.239 13.8678 -164.199 465.248 164.483 -28.7054 -16.8732 345.218 PRESSAVG: 860600 -81.1911 -0.917754 -28.5206 -0.917794 51.2404 -15.5915 -28.5206 -15.5915 4.98431 GPRESSAVG: 860600 -80.9604 -1.58014 -28.3684 -2.72728 51.3478 -12.3173 -27.8707 -16.8676 5.07672 TIMING: 860600 CPU: 2719.83, 0.00313507/step Wall: 2719.83, 0.00313507/step, 3.6048 hours remaining, 232.871094 MB of memory in use. ENERGY: 860600 3942.1184 20409.2896 14417.0171 255.5269 -203403.0452 2913.3508 0.0000 0.0000 52205.3106 -109260.4318 300.0246 -161465.7424 -108899.3364 299.2085 310.3679 334.2951 760657.2400 -8.3222 -8.1787 PRESSURE: 860800 180.998 -107.06 196.341 -107.059 -190.311 77.1517 196.342 77.1511 532.36 GPRESSURE: 860800 160.214 -87.5449 191.428 32.4606 -86.8149 92.6378 163.414 137.595 526.274 PRESSAVG: 860800 -55.6076 -23.3559 14.5969 -23.3559 50.2546 12.0064 14.5969 12.0064 -6.10063 GPRESSAVG: 860800 -56.3755 -21.6339 16.2657 -21.6978 49.583 8.97211 15.0295 13.9585 -5.43081 TIMING: 860800 CPU: 2720.45, 0.00312774/step Wall: 2720.45, 0.00312774/step, 3.59621 hours remaining, 232.871094 MB of memory in use. ENERGY: 860800 3960.9580 20512.0253 14454.4146 233.1881 -203064.5905 2551.7384 0.0000 0.0000 52192.8048 -109159.4613 299.9528 -161352.2661 -108795.9674 299.8173 174.3491 199.8909 761653.6423 -3.8179 -4.0744 PRESSURE: 861000 -168.397 -47.8787 -133.025 -47.8777 -235.748 55.6012 -133.025 55.6025 66.1971 GPRESSURE: 861000 -99.0662 -87.6529 -32.1183 -6.20564 -220.331 23.3561 -163.523 -25.7677 74.9263 PRESSAVG: 861000 33.0895 42.7952 -33.3381 42.7953 16.6631 18.4214 -33.3381 18.4214 -0.0392523 GPRESSAVG: 861000 33.4007 40.9988 -33.7438 44.0856 15.8464 17.3699 -34.3806 17.8345 0.314685 TIMING: 861000 CPU: 2721.08, 0.00314603/step Wall: 2721.08, 0.00314603/step, 3.61707 hours remaining, 232.871094 MB of memory in use. ENERGY: 861000 3982.1308 20527.1901 14414.1605 260.3998 -202990.1027 2688.9916 0.0000 0.0000 52036.7582 -109080.4718 299.0560 -161117.2300 -108713.9937 299.0908 -112.6492 -81.4904 760401.4432 16.5711 16.5206 PRESSURE: 861200 -338.979 -73.8572 -187.756 -73.8576 -141.592 -241.657 -187.756 -241.657 2.73161 GPRESSURE: 861200 -265.597 -121.423 -188.099 -155.003 -145.485 -183.37 -279.618 -188.409 19.0718 PRESSAVG: 861200 -51.8171 -47.2395 -64.5133 -47.2395 39.908 -13.6827 -64.5133 -13.6827 -15.8346 GPRESSAVG: 861200 -51.0624 -46.22 -64.9116 -48.4289 39.459 -11.5333 -65.7866 -15.6623 -16.4145 TIMING: 861200 CPU: 2721.71, 0.00313112/step Wall: 2721.71, 0.00313112/step, 3.59974 hours remaining, 232.871094 MB of memory in use. ENERGY: 861200 3982.1754 20608.9535 14424.4207 245.2536 -202712.5815 2516.1220 0.0000 0.0000 52128.9742 -108806.6821 299.5859 -160935.6563 -108450.2383 300.2814 -159.2799 -130.6700 762623.6686 -9.2479 -9.3393 PRESSURE: 861400 -433.325 41.8488 -23.0041 41.8489 -187.903 194.071 -23.0041 194.07 -179.974 GPRESSURE: 861400 -471.627 55.1389 21.7223 63.5287 -135.47 179.088 -46.6902 341.116 -94.6004 PRESSAVG: 861400 -65.0048 -55.7422 -39.4035 -55.7422 63.5367 -8.42398 -39.4036 -8.42403 5.22259 GPRESSAVG: 861400 -65.2376 -55.3779 -39.2003 -56.1576 64.797 -9.57495 -39.6288 -5.77881 4.40064 TIMING: 861400 CPU: 2722.33, 0.00313608/step Wall: 2722.33, 0.00313608/step, 3.60527 hours remaining, 232.871094 MB of memory in use. ENERGY: 861400 4018.6358 20664.6760 14505.3719 262.1291 -203205.0369 2598.7525 0.0000 0.0000 52261.2964 -108894.1751 300.3464 -161155.4716 -108523.4559 300.4142 -267.0673 -233.8990 762662.0773 1.2515 1.3200 PRESSURE: 861600 -255.978 56.5174 -330.213 56.5161 -204.762 -99.099 -330.213 -99.0991 -220.026 GPRESSURE: 861600 -231.239 -25.9293 -324.716 108.905 -140.627 32.9263 25.1296 -1.8506 -233.655 PRESSAVG: 861600 -83.3227 73.8819 -54.5209 73.8818 98.9396 24.0325 -54.5209 24.0325 5.20105 GPRESSAVG: 861600 -82.7996 71.1135 -54.8291 74.5549 97.6408 26.1573 -51.2332 22.9912 6.29539 TIMING: 861600 CPU: 2722.96, 0.00314281/step Wall: 2722.96, 0.00314281/step, 3.61283 hours remaining, 232.871094 MB of memory in use. ENERGY: 861600 4026.0037 20738.3304 14509.2732 257.2887 -203161.5551 2581.7435 0.0000 0.0000 52206.8847 -108842.0308 300.0337 -161048.9155 -108484.3267 300.4195 -226.9221 -201.8402 762518.5158 6.9393 7.0455 PRESSURE: 861800 -117.207 96.5349 0.70492 96.5354 231.489 62.158 0.704657 62.1585 566.257 GPRESSURE: 861800 -79.3361 74.6417 17.3338 165.426 287.69 43.7536 -18.5137 266.457 548.235 PRESSAVG: 861800 -43.7375 -24.0674 5.84176 -24.0674 41.7262 20.2441 5.8418 20.244 7.40001 GPRESSAVG: 861800 -44.7128 -20.6205 4.95877 -24.1765 42.5707 19.6559 5.00141 19.9704 7.80454 TIMING: 861800 CPU: 2723.59, 0.00315593/step Wall: 2723.59, 0.00315593/step, 3.62774 hours remaining, 232.871094 MB of memory in use. ENERGY: 861800 3975.5145 20488.2985 14359.3915 240.9281 -203256.7321 2703.2430 0.0000 0.0000 52578.6779 -108910.6785 302.1704 -161489.3565 -108538.9937 300.1777 226.8463 252.1963 763267.1888 1.7962 1.8875 PRESSURE: 862000 124.033 -134.034 43.9197 -134.034 30.5239 135.345 43.9193 135.345 -95.3827 GPRESSURE: 862000 147.191 -51.8603 59.0413 -117.853 -4.34623 115.787 -1.66118 70.4317 1.2085 PRESSAVG: 862000 -54.9923 0.890326 -16.629 0.890332 69.1285 19.7477 -16.6291 19.7476 0.10735 GPRESSAVG: 862000 -53.8013 -1.11274 -14.5063 0.271226 68.665 18.5989 -16.9721 19.979 -0.954453 TIMING: 862000 CPU: 2724.22, 0.00314347/step Wall: 2724.22, 0.00314347/step, 3.61325 hours remaining, 232.871094 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: 862000 3985.4344 20690.8914 14464.8482 238.4769 -202965.3709 2548.7238 0.0000 0.0000 52211.0639 -108825.9324 300.0577 -161036.9963 -108470.6034 300.0758 19.7247 48.0177 761624.0574 4.7478 4.6364 PRESSURE: 862200 53.919 -73.4193 -48.5975 -73.4187 -280.61 50.5368 -48.5984 50.5358 -128.948 GPRESSURE: 862200 -15.2302 6.57574 -36.0738 -204.513 -198.868 71.6625 -36.7093 11.1209 -57.3465 PRESSAVG: 862200 -37.7249 34.3924 -10.3604 34.3925 55.1803 5.31655 -10.3604 5.31649 -12.2974 GPRESSAVG: 862200 -38.6449 35.3279 -10.5061 35.4208 55.6439 6.46991 -12.2714 3.83091 -11.5676 TIMING: 862200 CPU: 2724.85, 0.00314046/step Wall: 2724.85, 0.00314046/step, 3.60961 hours remaining, 232.871094 MB of memory in use. ENERGY: 862200 4089.2992 20544.1135 14437.4256 256.5832 -202612.6959 2303.6477 0.0000 0.0000 51994.3587 -108987.2678 298.8123 -160981.6265 -108623.7501 299.8133 -118.5464 -90.4816 761213.2395 1.7193 1.8105 PRESSURE: 862400 355.462 -17.9224 26.0775 -17.9218 -313.231 156.959 26.0774 156.958 372.525 GPRESSURE: 862400 272.853 69.9819 -122.158 -58.783 -97.6637 128.427 79.6052 249.365 321.972 PRESSAVG: 862400 24.3486 65.1093 4.34628 65.1093 25.4827 13.1353 4.34631 13.1354 -9.73268 GPRESSAVG: 862400 23.7522 63.2326 3.68614 63.8044 27.0941 12.2834 6.66755 13.1578 -10.4591 TIMING: 862400 CPU: 2725.48, 0.00314523/step Wall: 2725.48, 0.00314523/step, 3.61492 hours remaining, 233.074219 MB of memory in use. ENERGY: 862400 3895.7910 20536.1874 14394.1687 259.9441 -203072.6055 2702.1549 0.0000 0.0000 52220.9021 -109063.4573 300.1142 -161284.3594 -108696.3383 299.3855 138.2520 165.7204 761368.9056 13.3662 13.4624 PRESSURE: 862600 -143.143 141.216 -156.912 141.217 28.1783 -73.6942 -156.911 -73.6933 -214.927 GPRESSURE: 862600 -63.545 -14.4864 -43.2922 201.758 -74.3451 -130.387 -217.946 2.91054 -135.265 PRESSAVG: 862600 -7.27239 48.9514 -74.95 48.9513 -22.5359 -63.3832 -74.9501 -63.3832 3.96882 GPRESSAVG: 862600 -6.07765 49.7801 -73.3937 48.6824 -23.9769 -62.947 -75.7707 -60.9734 4.21947 TIMING: 862600 CPU: 2726.11, 0.0031418/step Wall: 2726.11, 0.0031418/step, 3.6108 hours remaining, 233.074219 MB of memory in use. ENERGY: 862600 3936.4767 20553.2593 14504.3712 248.5476 -202947.7895 2594.3518 0.0000 0.0000 51980.5296 -109130.2534 298.7328 -161110.7830 -108764.1142 299.4572 -109.9637 -91.0518 760888.1752 -8.6132 -8.6117 PRESSURE: 862800 -17.7017 -52.347 -111.91 -52.347 -126.814 -396.403 -111.91 -396.402 118.645 GPRESSURE: 862800 45.9122 52.6447 -136.822 -135.87 -63.0495 -278.66 -15.107 -375.994 71.0381 PRESSAVG: 862800 -20.8533 0.156468 -20.981 0.156464 -9.71797 -6.98325 -20.981 -6.98327 15.9786 GPRESSAVG: 862800 -21.2851 -1.3791 -21.3307 0.750407 -8.86972 -7.08514 -19.7486 -8.93937 16.3006 TIMING: 862800 CPU: 2726.74, 0.00315286/step Wall: 2726.74, 0.00315286/step, 3.62334 hours remaining, 233.074219 MB of memory in use. ENERGY: 862800 3890.1355 20554.4842 14475.2033 251.7216 -202946.9811 2655.5048 0.0000 0.0000 51987.4622 -109132.4695 298.7727 -161119.9317 -108769.2761 299.3599 -8.6238 17.9669 764040.8607 -4.8642 -4.6181 PRESSURE: 863000 323.894 -129.566 -237.216 -129.566 60.3478 -37.9052 -237.216 -37.9048 130.489 GPRESSURE: 863000 328.139 -192.647 -207.401 12.083 78.4455 14.4699 -215.782 -7.68231 177.623 PRESSAVG: 863000 39.6793 -18.3448 -39.0283 -18.3448 -35.4531 15.4616 -39.0282 15.4616 -30.8259 GPRESSAVG: 863000 40.4826 -17.1097 -41.0082 -17.9306 -35.8632 15.6951 -40.4561 14.9419 -30.743 TIMING: 863000 CPU: 2727.37, 0.00316608/step Wall: 2727.37, 0.00316608/step, 3.63836 hours remaining, 233.074219 MB of memory in use. ENERGY: 863000 3866.6949 20511.2339 14480.5446 247.7604 -202869.7926 2488.1295 0.0000 0.0000 51897.2997 -109378.1295 298.2545 -161275.4292 -109016.0396 298.6026 171.5767 194.7357 761958.8233 -8.8666 -8.7079 PRESSURE: 863200 -121.74 -247.518 12.4487 -247.518 193.539 47.5835 12.4492 47.5843 126.607 GPRESSURE: 863200 -45.1828 -119.283 32.6729 -244.073 180.345 2.23776 58.7025 26.0927 142.302 PRESSAVG: 863200 -38.6178 -9.13464 -45.0255 -9.13469 -48.2353 -18.9367 -45.0255 -18.9368 6.51491 GPRESSAVG: 863200 -38.619 -8.85006 -43.3083 -10.1441 -48.8904 -19.5815 -46.5922 -17.8694 7.23334 TIMING: 863200 CPU: 2728.01, 0.00317435/step Wall: 2728.01, 0.00317435/step, 3.64768 hours remaining, 233.074219 MB of memory in use. ENERGY: 863200 3908.9413 20396.2773 14487.9861 228.9790 -203364.6716 2905.7864 0.0000 0.0000 52231.5240 -109205.1775 300.1753 -161436.7015 -108838.7629 298.9854 66.1356 92.4881 762055.4286 -26.7794 -26.7587 PRESSURE: 863400 94.6342 230.242 -200.089 230.242 78.9426 31.0306 -200.09 31.0306 -419.418 GPRESSURE: 863400 15.6227 176.267 -168.094 194.109 218.986 64.2183 -78.1958 56.4814 -401.462 PRESSAVG: 863400 0.23489 -8.39002 -44.4502 -8.39005 30.7497 19.7879 -44.4502 19.7878 12.3253 GPRESSAVG: 863400 -0.889137 -5.8672 -45.8548 -9.47399 31.113 20.374 -42.615 19.7123 13.2166 TIMING: 863400 CPU: 2728.64, 0.00318061/step Wall: 2728.64, 0.00318061/step, 3.6547 hours remaining, 233.074219 MB of memory in use. ENERGY: 863400 3981.0303 20507.1325 14425.1996 252.3619 -202976.9157 2686.1610 0.0000 0.0000 52196.7446 -108928.2858 299.9754 -161125.0304 -108568.3694 299.8898 -81.9471 -55.6179 762579.9960 14.4366 14.4801 PRESSURE: 863600 -49.4469 -37.9168 12.3305 -37.9168 148.908 -158.635 12.3312 -158.634 245.558 GPRESSURE: 863600 -1.87742 -119.491 19.6751 -40.8551 212.322 -129.343 84.0944 -139.167 214.594 PRESSAVG: 863600 -18.3829 -5.5205 -11.5989 -5.52044 -17.9293 3.02711 -11.5989 3.02706 27.4499 GPRESSAVG: 863600 -17.7061 -8.04563 -10.0993 -3.68716 -17.421 1.95081 -11.0906 3.33911 26.5365 TIMING: 863600 CPU: 2729.27, 0.0031446/step Wall: 2729.27, 0.0031446/step, 3.61314 hours remaining, 233.074219 MB of memory in use. ENERGY: 863600 4035.2983 20555.8818 14454.9435 228.0694 -203043.4583 2808.1509 0.0000 0.0000 52163.7531 -108797.3613 299.7858 -160961.1144 -108439.5624 300.3744 115.0065 141.6797 761740.0790 -2.9541 -2.8635 PRESSURE: 863800 -143.806 85.0262 -277.465 85.0274 75.2666 302.795 -277.464 302.793 64.9926 GPRESSURE: 863800 -145.436 59.3287 -276.607 66.2671 105.175 288.702 -289.718 253.352 125.634 PRESSAVG: 863800 51.1817 -11.4032 -11.6784 -11.4032 -10.2771 35.5509 -11.6784 35.5508 -2.7714 GPRESSAVG: 863800 51.2235 -10.4562 -11.4203 -12.1941 -11.782 34.7781 -11.9393 33.855 -1.75351 TIMING: 863800 CPU: 2729.9, 0.00313763/step Wall: 2729.9, 0.00313763/step, 3.60496 hours remaining, 233.074219 MB of memory in use. ENERGY: 863800 3887.1594 20645.9829 14421.5805 239.6627 -202792.7383 2626.2052 0.0000 0.0000 52088.2176 -108883.9299 299.3517 -160972.1475 -108512.7965 300.3779 -1.1822 28.4575 763028.8007 12.7111 12.5626 PRESSURE: 864000 -211.395 40.5963 92.2259 40.5956 78.9437 -101.265 92.2257 -101.265 -106.555 GPRESSURE: 864000 -167.808 30.6315 132.283 -31.3573 141.847 -123.588 100.377 -37.6446 -128.415 PRESSAVG: 864000 -30.9457 -29.0395 -34.6641 -29.0396 13.7559 8.92802 -34.664 8.928 -14.2473 GPRESSAVG: 864000 -30.4075 -30.1701 -36.4614 -29.5198 14.9975 8.80861 -32.6573 10.1857 -16.2697 TIMING: 864000 CPU: 2730.53, 0.00314034/step Wall: 2730.53, 0.00314034/step, 3.6079 hours remaining, 233.074219 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: 864000 3971.5050 20533.9729 14399.0107 262.8002 -202820.6476 2592.7688 0.0000 0.0000 52332.0276 -108728.5624 300.7529 -161060.5900 -108354.7745 300.3678 -79.6687 -51.4588 762304.2738 -10.4790 -10.5599 PRESSURE: 864200 78.1898 -1.81855 316.452 -1.81764 119.041 45.3442 316.451 45.3448 122.103 GPRESSURE: 864200 24.1892 86.349 204.829 126.796 185.841 47.954 276.592 107.17 192.464 PRESSAVG: 864200 8.21947 -26.3903 -49.8023 -26.3903 9.89511 -37.0162 -49.8023 -37.0162 2.76707 GPRESSAVG: 864200 7.10794 -25.4773 -48.7105 -27.6917 9.07467 -34.4808 -50.5474 -37.6104 4.46 TIMING: 864200 CPU: 2731.16, 0.0031599/step Wall: 2731.16, 0.0031599/step, 3.6302 hours remaining, 233.074219 MB of memory in use. ENERGY: 864200 4036.3336 20606.2063 14370.4288 257.0825 -202680.5158 2454.4747 0.0000 0.0000 51887.3998 -109068.5901 298.1976 -160955.9899 -108703.2710 299.9883 106.4445 134.1647 763125.1389 6.9605 6.8809 LDB: ============= START OF LOAD BALANCING ============== 2743.69 LDB: ============== END OF LOAD BALANCING =============== 2743.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2743.69 LDB: ============= START OF LOAD BALANCING ============== 2744.01 LDB: Largest compute 7070 load 0.029963 is 15.3% of average load 0.195312 LDB: Average compute 0.004377 is 2.2% of average load 0.195312 LDB: TIME 2744.01 LOAD: AVG 0.195312 MAX 0.218278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.469 MB LDB: TIME 2744.01 LOAD: AVG 0.195312 MAX 0.218278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.672 MB LDB: TIME 2744.01 LOAD: AVG 0.195312 MAX 0.215829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.672 MB LDB: ============== END OF LOAD BALANCING =============== 2744.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2744.02 PRESSURE: 864400 -287.175 17.4923 219.516 17.4921 46.1938 87.5651 219.516 87.5643 -154.758 GPRESSURE: 864400 -207.765 45.885 254.458 -55.1609 74.6798 24.4411 237.198 30.0057 -186.683 PRESSAVG: 864400 -4.29547 5.28288 -35.3324 5.28286 2.65098 15.62 -35.3325 15.6199 -2.44796 GPRESSAVG: 864400 -3.55036 5.80191 -35.8836 8.4628 3.43516 15.0159 -34.3276 13.7296 -3.74665 TIMING: 864400 CPU: 2731.8, 0.00322781/step Wall: 2731.8, 0.00322781/step, 3.70804 hours remaining, 231.644531 MB of memory in use. ENERGY: 864400 4028.6302 20595.3643 14444.3103 244.5444 -202846.3532 2474.0100 0.0000 0.0000 51869.6738 -109189.8202 298.0957 -161059.4941 -108825.1548 299.2536 -131.9131 -106.5895 763197.5326 -1.3642 -1.2873 PRESSURE: 864600 -163.189 -220.139 109.071 -220.139 -275.528 126.041 109.072 126.041 89.3451 GPRESSURE: 864600 -97.0054 -255.381 122.085 -202.461 -247.869 153.044 -18.2048 217.827 70.3564 PRESSAVG: 864600 -24.1471 30.6852 5.38549 30.6853 -22.2543 44.6694 5.38552 44.6694 2.57341 GPRESSAVG: 864600 -24.7708 29.4336 4.48014 31.7817 -22.0756 43.4391 7.43669 46.6988 2.90385 TIMING: 864600 CPU: 2732.44, 0.00316981/step Wall: 2732.44, 0.00316981/step, 3.64123 hours remaining, 231.644531 MB of memory in use. ENERGY: 864600 3990.3603 20520.6967 14498.5510 233.6388 -202959.3784 2596.9077 0.0000 0.0000 51958.8567 -109160.3673 298.6083 -161119.2239 -108800.0487 298.9466 -116.4572 -91.5061 761897.1711 -14.6093 -14.6475 PRESSURE: 864800 -132.345 239.587 -141.324 239.587 -31.7978 -72.9654 -141.325 -72.9649 -34.1348 GPRESSURE: 864800 -162.922 66.1289 -72.6556 147.932 -0.27265 -81.9625 -213.874 -37.1454 53.4066 PRESSAVG: 864800 -35.8266 -45.5059 -2.69145 -45.5058 38.1994 1.96869 -2.69142 1.96868 24.381 GPRESSAVG: 864800 -34.7173 -47.558 -1.81756 -46.556 36.6412 4.09273 -7.12906 1.10676 24.7081 TIMING: 864800 CPU: 2733.07, 0.00317301/step Wall: 2733.07, 0.00317301/step, 3.64473 hours remaining, 231.644531 MB of memory in use. ENERGY: 864800 3973.4888 20573.7929 14492.0976 288.9712 -202998.0091 2505.6471 0.0000 0.0000 52263.3809 -108900.6305 300.3584 -161164.0114 -108539.8428 299.1480 -66.0924 -36.5962 761147.4508 8.9179 8.8773 PRESSURE: 865000 -358.459 -348.068 129.155 -348.069 86.3961 -109.903 129.154 -109.903 63.4228 GPRESSURE: 865000 -247.061 -227.123 102.045 -379.539 99.8543 -93.1229 41.1868 -137.284 10.7504 PRESSAVG: 865000 -55.8573 0.329771 -10.0406 0.329753 64.2815 29.5604 -10.0405 29.5605 11.3897 GPRESSAVG: 865000 -55.0027 2.43914 -9.62653 -0.755302 64.0707 27.8576 -6.89939 28.5203 10.4124 TIMING: 865000 CPU: 2733.71, 0.00317268/step Wall: 2733.71, 0.00317268/step, 3.64417 hours remaining, 231.644531 MB of memory in use. ENERGY: 865000 4046.0427 20492.2174 14468.8572 243.0406 -203163.4828 2691.8723 0.0000 0.0000 52086.8817 -109134.5708 299.3440 -161221.4526 -108768.1738 299.5466 -69.5468 -45.4854 762398.0475 6.6046 6.4935 PRESSURE: 865200 -466.522 80.5452 -116.714 80.5455 25.9752 6.71414 -116.715 6.71317 -236.726 GPRESSURE: 865200 -431.425 91.3449 -138.402 106.259 65.1828 2.89197 -52.4447 -83.6739 -227.797 PRESSAVG: 865200 -49.8457 61.2045 -14.4242 61.2046 92.2744 -5.6881 -14.4241 -5.6881 2.56702 GPRESSAVG: 865200 -51.311 61.3658 -15.3584 62.8257 92.6382 -6.6051 -15.653 -2.85785 4.09937 TIMING: 865200 CPU: 2734.34, 0.0031481/step Wall: 2734.34, 0.0031481/step, 3.61577 hours remaining, 231.644531 MB of memory in use. ENERGY: 865200 4012.0161 20598.9436 14522.3455 227.9939 -203281.0704 2710.7810 0.0000 0.0000 52005.6610 -109203.3292 298.8772 -161208.9903 -108839.6912 298.9146 -225.7575 -198.0130 762624.3145 14.9986 15.1422 PRESSURE: 865400 163.298 57.3156 -25.2092 57.3155 236.705 -88.0315 -25.2089 -88.0317 130.959 GPRESSURE: 865400 249.792 -79.5938 -11.6177 -56.0068 180.782 -158.894 14.3293 -128.309 173.957 PRESSAVG: 865400 -53.334 -17.5278 -56.896 -17.5277 31.6088 -7.09349 -56.896 -7.09344 6.90616 GPRESSAVG: 865400 -53.06 -17.1413 -53.9629 -18.8717 31.6024 -6.81865 -57.1075 -11.1782 6.01951 TIMING: 865400 CPU: 2734.96, 0.00312495/step Wall: 2734.96, 0.00312495/step, 3.589 hours remaining, 231.644531 MB of memory in use. ENERGY: 865400 3906.3952 20547.3118 14466.2736 247.8502 -203049.5717 2619.5622 0.0000 0.0000 51937.0113 -109325.1674 298.4827 -161262.1788 -108962.2839 298.7265 176.9874 201.5106 760959.1732 -4.9397 -5.1460 PRESSURE: 865600 388.171 -12.9172 -75.1914 -12.9167 28.8241 219.537 -75.1908 219.537 73.8756 GPRESSURE: 865600 388.201 11.9518 -11.2666 32.3786 24.6953 234.705 -136.542 294.841 172.631 PRESSAVG: 865600 30.898 16.1001 16.5795 16.1 40.8818 -12.6664 16.5796 -12.6664 31.8039 GPRESSAVG: 865600 31.476 15.9079 16.8341 17.3448 40.4656 -12.2696 15.6574 -9.17253 31.8 TIMING: 865600 CPU: 2735.59, 0.0031161/step Wall: 2735.59, 0.0031161/step, 3.57867 hours remaining, 231.644531 MB of memory in use. ENERGY: 865600 3857.2523 20498.0382 14412.2995 236.7658 -203220.3553 2660.8480 0.0000 0.0000 52135.2128 -109419.9388 299.6218 -161555.1516 -109066.2706 298.5200 163.6236 195.1757 761918.1974 34.5279 34.5805 PRESSURE: 865800 25.0857 16.345 223.289 16.3454 22.508 -221.761 223.29 -221.76 131.18 GPRESSURE: 865800 170.062 67.6514 239.612 146.563 -15.9551 -220.796 291.947 -310.087 98.1416 PRESSAVG: 865800 -2.2479 -16.5976 -66.8612 -16.5977 4.13609 47.9908 -66.8612 47.9908 -0.739383 GPRESSAVG: 865800 -1.83441 -17.9174 -68.3258 -15.6014 4.47208 46.9177 -65.9794 46.8214 -1.36715 TIMING: 865800 CPU: 2736.21, 0.00312754/step Wall: 2736.21, 0.00312754/step, 3.59163 hours remaining, 231.644531 MB of memory in use. ENERGY: 865800 3932.8853 20608.2200 14508.3216 245.5660 -203416.5119 2927.8369 0.0000 0.0000 51875.3536 -109318.3285 298.1284 -161193.6821 -108957.9208 298.4055 59.5914 84.0830 763077.3576 0.3829 0.4235 PRESSURE: 866000 81.8097 107.374 -139.961 107.374 -131.135 -28.0927 -139.962 -28.0926 55.1743 GPRESSURE: 866000 -59.3741 31.4287 -173.648 28.7993 14.4195 -12.1717 -86.6343 -39.8344 142.913 PRESSAVG: 866000 -31.4987 57.2246 -30.7286 57.2247 33.3213 -12.3143 -30.7286 -12.3144 9.66836 GPRESSAVG: 866000 -32.7161 60.4911 -30.3808 54.687 33.9535 -11.6317 -30.2076 -12.5703 10.2949 TIMING: 866000 CPU: 2736.84, 0.00313458/step Wall: 2736.84, 0.00313458/step, 3.59955 hours remaining, 231.644531 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: 866000 3967.0457 20540.8451 14523.5291 247.5149 -203455.4264 2839.6061 0.0000 0.0000 51885.1943 -109451.6913 298.1849 -161336.8855 -109093.6415 299.1703 1.9496 32.6527 762982.6940 3.8303 3.8441 PRESSURE: 866200 -100.378 71.2845 57.8059 71.2837 154.398 -21.3678 57.8056 -21.3667 -252.212 GPRESSURE: 866200 0.0261266 126.226 73.645 132.806 29.1945 -29.9171 52.6532 86.4917 -138.019 PRESSAVG: 866200 -58.5701 -42.0966 1.40903 -42.0966 31.4727 27.0762 1.40902 27.0763 4.02469 GPRESSAVG: 866200 -58.1443 -45.1414 0.645001 -40.8295 31.0792 26.1568 1.32867 27.2414 3.46823 TIMING: 866200 CPU: 2737.47, 0.00315809/step Wall: 2737.47, 0.00315809/step, 3.62636 hours remaining, 231.644531 MB of memory in use. ENERGY: 866200 4008.9091 20637.7967 14513.2436 247.5897 -203107.0425 2518.3710 0.0000 0.0000 51895.2079 -109285.9245 298.2425 -161181.1324 -108928.4232 298.6189 -66.0639 -36.2662 762048.0189 -7.6909 -7.8656 PRESSURE: 866400 -82.8224 57.8195 -109.782 57.8195 167.1 140.178 -109.783 140.178 -294.569 GPRESSURE: 866400 46.7625 126.728 -42.3545 8.74865 -5.74646 242.043 -78.4679 218.064 -175.721 PRESSAVG: 866400 12.8673 -33.7266 -64.1049 -33.7266 36.1868 8.57718 -64.1049 8.57712 -21.2658 GPRESSAVG: 866400 13.9318 -31.543 -64.0886 -34.9632 34.8732 10.3695 -64.5133 8.81802 -21.6256 TIMING: 866400 CPU: 2738.1, 0.00314284/step Wall: 2738.1, 0.00314284/step, 3.60868 hours remaining, 231.644531 MB of memory in use. ENERGY: 866400 4034.2081 20611.0546 14525.5731 233.4650 -203218.6706 2535.6707 0.0000 0.0000 51956.5932 -109322.1059 298.5953 -161278.6990 -108964.2382 298.7367 -70.0972 -44.9018 761074.3659 9.2627 9.0598 PRESSURE: 866600 -100.445 94.5848 10.262 94.585 -90.6572 -83.9334 10.2618 -83.9345 -63.0325 GPRESSURE: 866600 -54.0591 99.7028 36.187 90.4365 -70.4496 -134.612 1.93932 10.8169 -40.8139 PRESSAVG: 866600 -31.5371 0.552125 -20.4987 0.55213 13.5697 30.0167 -20.4987 30.0166 6.88371 GPRESSAVG: 866600 -32.5671 -1.96034 -21.2121 0.180724 14.2344 29.179 -20.2202 30.7112 6.95955 TIMING: 866600 CPU: 2738.72, 0.00313434/step Wall: 2738.72, 0.00313434/step, 3.59874 hours remaining, 231.644531 MB of memory in use. ENERGY: 866600 3988.4903 20449.5425 14512.4202 265.5095 -203392.1333 2695.8825 0.0000 0.0000 51928.1056 -109552.1828 298.4315 -161480.2884 -109193.4560 298.5877 -84.7117 -55.1075 761870.4780 -3.6946 -3.7911 PRESSURE: 866800 -60.2901 63.0662 -64.2767 63.0655 62.2415 -6.34399 -64.2767 -6.34407 32.2376 GPRESSURE: 866800 -68.7768 80.3926 -8.31122 131.821 50.3562 11.4389 -33.943 -46.9436 126.608 PRESSAVG: 866800 -21.7674 38.3833 -3.34167 38.3833 25.3339 -6.69219 -3.34176 -6.69224 28.8646 GPRESSAVG: 866800 -21.8107 38.8575 -2.62997 39.8569 24.9718 -7.00849 -3.00362 -8.91043 29.6226 TIMING: 866800 CPU: 2739.35, 0.00312795/step Wall: 2739.35, 0.00312795/step, 3.59123 hours remaining, 231.644531 MB of memory in use. ENERGY: 866800 3994.1492 20546.8291 14564.2824 232.0653 -203321.4554 2479.8782 0.0000 0.0000 51882.4955 -109621.7557 298.1694 -161504.2512 -109266.3633 298.4549 11.3963 36.0624 762643.9280 10.8104 10.9279 PRESSURE: 867000 88.702 -60.559 -269.646 -60.558 4.19344 -80.6691 -269.646 -80.6694 141.019 GPRESSURE: 867000 159.758 42.7017 -252.082 -69.3874 74.1029 -33.0975 -121.683 -147.898 87.6409 PRESSAVG: 867000 27.4014 32.224 -39.0388 32.224 -21.301 -36.9858 -39.0388 -36.9858 2.46447 GPRESSAVG: 867000 28.2647 33.5057 -39.8952 31.7554 -21.7688 -37.3075 -37.1415 -35.2174 2.70793 TIMING: 867000 CPU: 2739.98, 0.00312481/step Wall: 2739.98, 0.00312481/step, 3.58745 hours remaining, 231.644531 MB of memory in use. ENERGY: 867000 3971.2159 20508.8717 14576.4337 270.3870 -203449.1577 2747.1479 0.0000 0.0000 51933.0811 -109442.0204 298.4601 -161375.1015 -109085.2418 298.4686 77.9715 107.1672 763882.7882 2.8550 3.0679 PRESSURE: 867200 164.271 -191.73 51.8496 -191.73 223.359 223.431 51.849 223.432 -4.0296 GPRESSURE: 867200 104.836 9.71871 -33.67 -164.388 379.771 220.338 92.4894 221.623 -30.0684 PRESSAVG: 867200 -14.7499 9.507 -43.5768 9.50704 29.6762 -18.7815 -43.5768 -18.7815 -7.20512 GPRESSAVG: 867200 -15.1849 10.6057 -44.2726 10.5948 30.0332 -19.8776 -46.3251 -18.0847 -7.20269 TIMING: 867200 CPU: 2740.6, 0.00310968/step Wall: 2740.6, 0.00310968/step, 3.56991 hours remaining, 231.644531 MB of memory in use. ENERGY: 867200 4047.4301 20502.3396 14512.4218 250.1562 -203828.5294 3061.4211 0.0000 0.0000 52028.5697 -109426.1909 299.0089 -161454.7606 -109064.9544 298.7996 127.8666 151.5131 761373.9507 2.5737 2.5486 PRESSURE: 867400 -109.401 -242.643 22.4493 -242.643 70.5088 -281.833 22.4485 -281.833 -133.761 GPRESSURE: 867400 -107.92 -221.1 -5.41627 -129.315 121.428 -111.93 -71.8369 -292.821 -115.462 PRESSAVG: 867400 -40.4144 67.1736 -60.4045 67.1736 37.5336 -50.3319 -60.4046 -50.3319 -9.32159 GPRESSAVG: 867400 -40.6623 65.4634 -58.1031 66.9018 38.0517 -47.5816 -59.1775 -52.6741 -9.63229 TIMING: 867400 CPU: 2741.22, 0.00312713/step Wall: 2741.22, 0.00312713/step, 3.58977 hours remaining, 231.644531 MB of memory in use. ENERGY: 867400 4025.9804 20610.3998 14536.0956 257.4131 -203556.9980 2991.9210 0.0000 0.0000 51933.2819 -109201.9061 298.4613 -161135.1881 -108836.9151 299.1907 -57.5511 -33.9848 764271.1590 -4.0675 -4.0810 PRESSURE: 867600 -209.768 36.7809 124.168 36.7804 -25.2046 -27.1884 124.167 -27.1872 -105.607 GPRESSURE: 867600 -103.338 72.5983 101.478 16.5545 37.2644 55.1832 108.687 -178.009 -183.21 PRESSAVG: 867600 -28.3279 -9.17658 -10.2547 -9.17659 47.7169 -5.36161 -10.2548 -5.36167 -2.53344 GPRESSAVG: 867600 -28.7225 -8.07122 -11.5533 -11.4619 47.7604 -7.09795 -9.82338 -4.26093 -2.62324 TIMING: 867600 CPU: 2741.85, 0.00314725/step Wall: 2741.85, 0.00314725/step, 3.61269 hours remaining, 231.644531 MB of memory in use. ENERGY: 867600 3927.3309 20567.2984 14521.5745 269.8925 -203571.3154 2833.2207 0.0000 0.0000 52332.8150 -109119.1834 300.7574 -161451.9984 -108747.8889 299.3691 -113.5264 -83.0946 763009.1645 5.6185 5.4715 PRESSURE: 867800 -166.878 -125.165 99.7094 -125.165 209.096 -66.0576 99.7098 -66.0578 48.9737 GPRESSURE: 867800 -90.9932 -105.257 147.086 -90.3041 162.251 -130.364 145.584 29.0971 93.3284 PRESSAVG: 867800 -70.4799 10.5274 20.0184 10.5274 65.9486 -3.23944 20.0184 -3.23945 34.2644 GPRESSAVG: 867800 -70.407 9.55191 20.1857 13.952 64.3579 -3.71058 19.9952 -3.27428 35.0348 TIMING: 867800 CPU: 2742.48, 0.00316311/step Wall: 2742.48, 0.00316311/step, 3.63072 hours remaining, 231.644531 MB of memory in use. ENERGY: 867800 3978.5127 20627.9981 14468.5368 257.5028 -203157.7987 2606.7688 0.0000 0.0000 52004.3848 -109214.0946 298.8699 -161218.4794 -108858.5895 299.3217 30.3971 54.8622 763285.7064 9.9110 9.6619 PRESSURE: 868000 134.919 124.746 -55.6151 124.746 -76.2772 -155.233 -55.6151 -155.234 -152.46 GPRESSURE: 868000 89.5197 163 -125.721 72.2049 -20.2521 -81.2675 -260.401 -101.494 -118.701 PRESSAVG: 868000 -15.8288 38.2803 0.511463 38.2804 51.0674 -0.947808 0.511535 -0.947903 -2.64316 GPRESSAVG: 868000 -16.5447 39.6016 1.07463 33.4599 51.2912 1.57236 -1.84788 -1.26815 -2.97462 TIMING: 868000 CPU: 2743.12, 0.00316818/step Wall: 2743.12, 0.00316818/step, 3.63637 hours remaining, 231.644531 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: 868000 4014.7005 20695.1001 14492.7039 281.8153 -203360.9205 2720.7679 0.0000 0.0000 51774.8229 -109381.0099 297.5506 -161155.8328 -109028.0113 299.0914 -31.2729 -16.4777 763297.4239 10.8652 10.5906 PRESSURE: 868200 -17.2473 -41.7542 -13.1204 -41.7542 199.32 -4.65892 -13.1212 -4.65879 -34.3465 GPRESSURE: 868200 32.5897 -110.375 98.4381 -39.881 231.683 -52.4403 -44.6091 -159.693 -59.9468 PRESSAVG: 868200 -27.7387 19.7885 44.7149 19.7886 28.1753 29.6994 44.7149 29.6994 7.58529 GPRESSAVG: 868200 -26.519 19.5389 43.0555 22.6016 29.2698 27.7957 47.1502 28.5326 5.43164 TIMING: 868200 CPU: 2743.75, 0.00316071/step Wall: 2743.75, 0.00316071/step, 3.62762 hours remaining, 231.644531 MB of memory in use. ENERGY: 868200 3937.5655 20572.6154 14492.7007 242.2567 -203442.5366 2810.6637 0.0000 0.0000 52269.7229 -109117.0118 300.3948 -161386.7346 -108750.4710 299.1974 49.2420 68.1085 763490.3590 2.6740 2.7275 LDB: ============= START OF LOAD BALANCING ============== 2756.28 LDB: ============== END OF LOAD BALANCING =============== 2756.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.29 LDB: ============= START OF LOAD BALANCING ============== 2756.6 LDB: Largest compute 7070 load 0.029512 is 15.1% of average load 0.195279 LDB: Average compute 0.004384 is 2.2% of average load 0.195279 LDB: TIME 2756.61 LOAD: AVG 0.195279 MAX 0.213813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.98 MB LDB: TIME 2756.61 LOAD: AVG 0.195279 MAX 0.213813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: TIME 2756.61 LOAD: AVG 0.195279 MAX 0.213813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: ============== END OF LOAD BALANCING =============== 2756.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.61 PRESSURE: 868400 183.335 36.5046 -194.779 36.5052 251.507 70.6398 -194.78 70.6391 559.438 GPRESSURE: 868400 186.226 85.0815 -178.155 45.2511 306.686 89.7471 -78.3318 5.14963 596.866 PRESSAVG: 868400 -11.3037 32.2043 52.9559 32.2044 16.9175 32.8036 52.9558 32.8036 0.455126 GPRESSAVG: 868400 -12.9798 32.378 54.1394 31.1055 16.5149 33.6498 53.6254 31.4954 2.79515 TIMING: 868400 CPU: 2744.4, 0.00323347/step Wall: 2744.4, 0.00323347/step, 3.71094 hours remaining, 233.640625 MB of memory in use. ENERGY: 868400 3933.7381 20522.6683 14444.1554 276.6844 -203043.2073 2632.7161 0.0000 0.0000 52163.4337 -109069.8112 299.7840 -161233.2450 -108703.9056 299.5048 331.4269 363.2592 763181.5289 2.0230 2.1101 PRESSURE: 868600 269.28 -114.062 69.2407 -114.062 428.865 161.544 69.241 161.542 -65.1831 GPRESSURE: 868600 256.201 -26.942 92.4154 -20.6623 481.621 92.7228 12.6227 19.3292 -53.2016 PRESSAVG: 868600 61.4192 52.2204 0.558065 52.2204 -49.832 71.9358 0.557955 71.9358 14.598 GPRESSAVG: 868600 63.8115 51.6149 1.51961 54.6326 -50.2148 72.7124 -2.28402 73.1904 12.5628 TIMING: 868600 CPU: 2745.03, 0.00316542/step Wall: 2745.03, 0.00316542/step, 3.63267 hours remaining, 234.046875 MB of memory in use. ENERGY: 868600 3974.4928 20569.7856 14410.4944 228.8240 -203802.4769 3287.6629 0.0000 0.0000 52248.3095 -109082.9076 300.2718 -161331.2172 -108724.8287 299.5489 210.9875 228.2069 761830.8770 8.7284 8.7199 PRESSURE: 868800 -336.887 15.6576 -218.952 15.6578 -9.97451 -117.273 -218.952 -117.273 -289.741 GPRESSURE: 868800 -261.306 46.8854 -312.32 5.04757 53.9808 -140.962 -300.003 -119.479 -337.229 PRESSAVG: 868800 7.45134 -16.063 14.9679 -16.063 30.6228 -2.16887 14.9679 -2.1689 -20.9198 GPRESSAVG: 868800 6.13762 -14.8747 12.4706 -17.7585 31.1633 -2.14038 15.588 -0.468663 -20.0034 TIMING: 868800 CPU: 2745.67, 0.00317671/step Wall: 2745.67, 0.00317671/step, 3.64545 hours remaining, 234.046875 MB of memory in use. ENERGY: 868800 4035.9557 20521.7640 14418.7420 250.9583 -203294.7124 2878.0010 0.0000 0.0000 52108.9723 -109080.3192 299.4710 -161189.2914 -108719.0295 299.9065 -212.2006 -181.5181 762911.6941 5.7181 5.7659 PRESSURE: 869000 236.486 81.1138 -181.074 81.1138 -42.2532 266.809 -181.073 266.81 -294.566 GPRESSURE: 869000 219.909 -2.80796 -175.379 165.302 13.5436 281.375 -106.591 220.597 -255.155 PRESSAVG: 869000 -13.4885 -4.53729 -18.8546 -4.53731 -4.27601 -17.8637 -18.8546 -17.8636 2.07014 GPRESSAVG: 869000 -13.6127 -5.3339 -18.8699 -3.03199 -4.6638 -19.5044 -16.4132 -17.4108 2.60407 TIMING: 869000 CPU: 2746.3, 0.00316485/step Wall: 2746.3, 0.00316485/step, 3.63167 hours remaining, 234.046875 MB of memory in use. ENERGY: 869000 3997.1465 20322.3078 14508.7993 268.1285 -203394.5190 2706.5043 0.0000 0.0000 52307.3426 -109284.2901 300.6110 -161591.6327 -108917.5812 299.5308 -33.4445 -7.2341 761957.9365 -5.2315 -5.2241 PRESSURE: 869200 -189.898 58.3484 -154.093 58.3483 48.0327 146.898 -154.093 146.898 -115.6 GPRESSURE: 869200 -109.008 141.517 -39.1752 93.1839 81.0417 184.603 -167.908 21.9232 -156.441 PRESSAVG: 869200 -11.2692 -10.483 12.1344 -10.483 26.0853 46.5572 12.1344 46.5572 19.3062 GPRESSAVG: 869200 -10.0199 -11.1526 13.2827 -10.4672 25.7279 47.9516 11.7504 43.8289 17.8583 TIMING: 869200 CPU: 2746.93, 0.00313255/step Wall: 2746.93, 0.00313255/step, 3.59442 hours remaining, 234.046875 MB of memory in use. ENERGY: 869200 4013.0401 20537.1413 14421.4813 247.0482 -203638.6581 2834.3916 0.0000 0.0000 52231.6624 -109353.8931 300.1761 -161585.5555 -108990.5116 298.9516 -85.8216 -61.4691 761133.0392 11.3741 11.1888 PRESSURE: 869400 -416.188 -167.832 24.5435 -167.832 -140.113 -51.3034 24.5436 -51.3031 -383.693 GPRESSURE: 869400 -263.315 -156.281 56.9413 -291.108 -161.561 -61.0273 172.049 -72.5284 -436.439 PRESSAVG: 869400 -53.7449 -2.28157 -37.3285 -2.28148 32.312 -56.8664 -37.3285 -56.8665 1.65164 GPRESSAVG: 869400 -54.6955 -2.96122 -35.2873 -3.61538 31.9073 -57.6052 -38.7498 -55.3695 2.55327 TIMING: 869400 CPU: 2747.55, 0.00312209/step Wall: 2747.55, 0.00312209/step, 3.58226 hours remaining, 234.046875 MB of memory in use. ENERGY: 869400 4021.4476 20563.9133 14523.8456 234.2425 -203370.7734 2535.7348 0.0000 0.0000 52055.5277 -109436.0618 299.1638 -161491.5895 -109074.9160 299.2317 -313.3314 -287.1048 761863.5731 -6.5938 -6.7450 PRESSURE: 869600 -92.6064 54.2074 -107.241 54.2065 -121.492 -144.974 -107.24 -144.974 -104.092 GPRESSURE: 869600 8.23218 94.2991 -108.04 -42.0584 -134.292 -179.182 -150.495 -169.849 -102.674 PRESSAVG: 869600 -44.8291 -2.16968 -32.8368 -2.16969 46.6243 17.8357 -32.8368 17.8357 -3.49129 GPRESSAVG: 869600 -44.4134 -1.4796 -34.6434 -2.36969 46.7443 18.8381 -31.4795 18.9774 -3.72975 TIMING: 869600 CPU: 2748.18, 0.00313483/step Wall: 2748.18, 0.00313483/step, 3.5967 hours remaining, 234.046875 MB of memory in use. ENERGY: 869600 4003.2661 20553.0494 14476.4975 240.2353 -203523.8292 2730.4980 0.0000 0.0000 51919.6671 -109600.6158 298.3830 -161520.2830 -109243.5268 298.5772 -106.0633 -76.2446 764213.1730 -0.5654 -0.4663 PRESSURE: 869800 244.581 100.514 -28.2895 100.514 314.534 -44.5884 -28.2905 -44.587 -71.3229 GPRESSURE: 869800 257.257 111.303 30.836 -19.8837 230.011 12.0346 -72.1161 -60.6925 57.3386 PRESSAVG: 869800 -39.3509 14.7519 -21.5835 14.752 51.3384 2.64584 -21.5835 2.64577 -17.2168 GPRESSAVG: 869800 -39.7095 15.3994 -22.4244 16.6993 51.7483 1.86916 -24.2689 2.42111 -16.6937 TIMING: 869800 CPU: 2748.81, 0.0031572/step Wall: 2748.81, 0.0031572/step, 3.62218 hours remaining, 234.046875 MB of memory in use. ENERGY: 869800 4092.4750 20444.9405 14459.6108 224.8795 -203982.7392 3303.2297 0.0000 0.0000 52020.2700 -109437.3337 298.9612 -161457.6037 -109089.1707 298.3437 162.5974 181.5355 764010.0731 -1.7431 -1.5516 PRESSURE: 870000 -41.6051 60.278 -64.2766 60.2784 256.043 245.139 -64.2769 245.14 154.097 GPRESSURE: 870000 -4.99406 70.4361 -51.1306 16.2248 352.287 230.487 -126.462 214.723 104.127 PRESSAVG: 870000 -6.9617 -9.14865 -7.03585 -9.14863 21.0131 29.4767 -7.03579 29.4766 6.14504 GPRESSAVG: 870000 -6.04726 -7.87046 -6.89965 -11.1832 20.244 30.0263 -5.21696 29.1262 5.83521 TIMING: 870000 CPU: 2749.44, 0.00317208/step Wall: 2749.44, 0.00317208/step, 3.63908 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: 870000 4028.1501 20447.4651 14467.0700 233.9309 -203850.7550 3094.4053 0.0000 0.0000 52140.2453 -109439.4883 299.6507 -161579.7336 -109086.5188 298.3275 122.8447 150.4732 762708.1413 6.7321 6.6773 PRESSURE: 870200 -219.455 -50.3192 -85.2584 -50.3198 -185.456 42.667 -85.2577 42.6672 -180.555 GPRESSURE: 870200 -246.164 -34.8473 -81.3372 -58.1956 -78.7535 82.2172 -104.442 31.1633 -154.235 PRESSAVG: 870200 27.6277 15.8967 -32.4066 15.8967 8.0304 14.6217 -32.4066 14.6217 14.8081 GPRESSAVG: 870200 27.1557 16.1014 -31.0331 15.5348 9.42415 14.6684 -32.7532 13.5701 13.6983 TIMING: 870200 CPU: 2750.08, 0.00316725/step Wall: 2750.08, 0.00316725/step, 3.63337 hours remaining, 234.046875 MB of memory in use. ENERGY: 870200 4013.0805 20541.6203 14465.6998 241.9647 -203201.2074 2568.2692 0.0000 0.0000 51940.1797 -109430.3931 298.5009 -161370.5728 -109061.2770 299.0649 -195.1555 -159.7177 763838.5797 16.8221 16.7594 PRESSURE: 870400 196.461 -62.1008 -361.876 -62.1005 -410.865 -25.775 -361.875 -25.7741 -77.4251 GPRESSURE: 870400 165.168 -128.648 -344.571 42.0258 -264.903 39.1249 -214.682 1.43709 -110.98 PRESSAVG: 870400 -10.1067 -16.9922 -57.915 -16.9922 -47.6117 30.4345 -57.915 30.4346 -3.90477 GPRESSAVG: 870400 -10.0093 -18.6483 -59.3109 -18.5907 -48.3231 32.1082 -57.3514 30.6491 -3.0922 TIMING: 870400 CPU: 2750.71, 0.00316737/step Wall: 2750.71, 0.00316737/step, 3.63332 hours remaining, 234.046875 MB of memory in use. ENERGY: 870400 3947.1069 20743.0034 14435.3547 260.1072 -203446.6491 2730.8821 0.0000 0.0000 52129.0135 -109201.1813 299.5862 -161330.1948 -108852.8540 299.0535 -97.2763 -70.2386 762710.8966 -20.5411 -20.4749 PRESSURE: 870600 -152.649 -48.0433 68.0013 -48.0434 -184.298 16.7987 68.0013 16.7986 -103.958 GPRESSURE: 870600 -149.845 -45.022 8.80225 -58.0801 -98.3865 31.1955 169.597 -30.2408 -115.839 PRESSAVG: 870600 -8.16387 11.0842 -60.0411 11.0842 -27.0775 5.0156 -60.0411 5.01556 -15.2632 GPRESSAVG: 870600 -8.84555 11.5959 -61.7334 14.1748 -27.0604 4.55998 -58.0176 5.15272 -14.8498 TIMING: 870600 CPU: 2751.34, 0.00314768/step Wall: 2751.34, 0.00314768/step, 3.61056 hours remaining, 234.046875 MB of memory in use. ENERGY: 870600 4023.4504 20489.9755 14487.9425 257.7546 -203261.2856 2522.6692 0.0000 0.0000 52220.7826 -109258.7109 300.1136 -161479.4935 -108892.6502 299.4779 -146.9682 -121.3568 761310.0509 -16.8348 -16.9186 PRESSURE: 870800 -85.3361 3.75117 -85.5518 3.75128 7.56021 106.223 -85.552 106.224 -147.344 GPRESSURE: 870800 61.8667 87.4276 -103.343 -115.219 -40.3702 99.4696 -82.0142 95.5774 -169.262 PRESSAVG: 870800 1.61228 -26.9879 -13.2767 -26.988 28.3275 21.5821 -13.2766 21.582 36.8702 GPRESSAVG: 870800 1.9791 -26.3132 -9.97743 -29.208 27.7925 20.0482 -18.0246 21.446 37.8422 TIMING: 870800 CPU: 2751.97, 0.00314382/step Wall: 2751.97, 0.00314382/step, 3.60596 hours remaining, 234.046875 MB of memory in use. ENERGY: 870800 4065.8786 20634.2427 14516.9493 241.9408 -203700.2041 2793.8857 0.0000 0.0000 52450.3918 -108996.9151 301.4331 -161447.3070 -108640.0112 300.2322 -75.0401 -49.2553 761121.1204 22.2700 22.5379 PRESSURE: 871000 -571.522 38.1786 -151.646 38.1786 -223.179 -31.6232 -151.646 -31.622 -300.68 GPRESSURE: 871000 -496.103 32.2122 -42.4846 0.824786 -218.366 -24.1231 -8.2625 -34.868 -289.363 PRESSAVG: 871000 43.6377 -47.4595 -12.1582 -47.4595 23.7585 -3.54246 -12.1581 -3.54248 7.22131 GPRESSAVG: 871000 44.6967 -46.7579 -13.6787 -47.5674 23.664 -5.2728 -7.62849 -3.27367 6.72556 TIMING: 871000 CPU: 2752.6, 0.00317405/step Wall: 2752.6, 0.00317405/step, 3.64046 hours remaining, 234.046875 MB of memory in use. ENERGY: 871000 4099.9096 20690.0584 14435.6223 239.3214 -203373.8322 2674.8834 0.0000 0.0000 52229.0543 -109004.9829 300.1611 -161234.0372 -108639.6466 300.6592 -365.1267 -334.6106 762036.8142 24.8725 25.0288 PRESSURE: 871200 -338.63 -177.135 -85.639 -177.134 -208.691 201.746 -85.6397 201.748 574.486 GPRESSURE: 871200 -286.17 -76.3521 -74.6128 -167.481 -88.4842 207.307 -112.231 168.547 485.617 PRESSAVG: 871200 35.2147 3.88497 -47.187 3.88501 -19.8501 19.2718 -47.187 19.2718 -13.5172 GPRESSAVG: 871200 34.1443 1.86806 -47.2939 6.3939 -19.5473 22.135 -47.6087 18.8249 -13.0462 TIMING: 871200 CPU: 2753.24, 0.00320383/step Wall: 2753.24, 0.00320383/step, 3.67444 hours remaining, 234.046875 MB of memory in use. ENERGY: 871200 3975.9588 20458.6523 14513.6243 246.0562 -202784.7097 2400.0677 0.0000 0.0000 52229.4895 -108960.8609 300.1636 -161190.3504 -108596.8674 300.3706 9.0548 36.9878 762866.2121 0.6158 0.5170 PRESSURE: 871400 -245.09 53.1632 16.1135 53.163 -169.766 -41.2811 16.114 -41.2809 -335.407 GPRESSURE: 871400 -240.288 75.412 -18.7981 140.908 -119.658 35.6595 -65.9091 127.82 -293.273 PRESSAVG: 871400 -45.4971 -17.1943 -58.9596 -17.1943 0.618302 9.80151 -58.9596 9.80147 -20.214 GPRESSAVG: 871400 -45.526 -16.5809 -59.3877 -19.2132 -0.32295 11.0565 -58.9006 9.10329 -19.9041 TIMING: 871400 CPU: 2753.88, 0.00316574/step Wall: 2753.88, 0.00316574/step, 3.63058 hours remaining, 234.046875 MB of memory in use. ENERGY: 871400 3998.8017 20578.5554 14539.8005 244.0528 -203106.1119 2340.6505 0.0000 0.0000 52319.2157 -109085.0352 300.6793 -161404.2509 -108725.8002 299.7487 -250.0876 -217.7397 761010.3794 -21.6976 -21.9177 PRESSURE: 871600 230.67 -82.7184 161.563 -82.7178 -80.2339 -72.4193 161.562 -72.418 -46.8603 GPRESSURE: 871600 185.308 -95.2311 176.021 -225.541 -31.1504 -141.661 205.536 -138.526 56.1444 PRESSAVG: 871600 5.97058 27.5733 2.9317 27.5734 31.5617 -8.384 2.93166 -8.38398 6.13677 GPRESSAVG: 871600 6.06009 27.4816 4.30363 27.3223 32.4494 -10.0997 0.430331 -7.38418 5.44753 TIMING: 871600 CPU: 2754.51, 0.00318017/step Wall: 2754.51, 0.00318017/step, 3.64695 hours remaining, 234.046875 MB of memory in use. ENERGY: 871600 4032.3045 20614.9542 14424.7972 238.5188 -203225.7763 2530.5599 0.0000 0.0000 52130.9401 -109253.7017 299.5972 -161384.6418 -108887.4551 299.8478 34.5253 70.1006 760057.4462 14.5564 14.6523 PRESSURE: 871800 -494.307 -12.3378 103.516 -12.3377 -10.7092 -64.3169 103.516 -64.3172 -327.479 GPRESSURE: 871800 -399.884 -38.4593 33.613 49.6513 5.20066 -69.4169 29.9161 -64.3109 -373.596 PRESSAVG: 871800 -47.5155 -8.62787 -7.71741 -8.62786 46.9834 -60.6134 -7.71739 -60.6133 6.47636 GPRESSAVG: 871800 -46.8074 -9.25083 -7.01044 -8.35472 45.9467 -59.3803 -8.45917 -62.0607 6.2054 TIMING: 871800 CPU: 2755.14, 0.00315447/step Wall: 2755.14, 0.00315447/step, 3.6173 hours remaining, 234.046875 MB of memory in use. ENERGY: 871800 3989.7943 20634.4083 14491.9382 242.5693 -203242.9935 2567.7267 0.0000 0.0000 52083.8599 -109232.6969 299.3267 -161316.5568 -108871.5824 299.5593 -277.4985 -256.0933 761226.7521 1.9814 1.7815 PRESSURE: 872000 -415.299 74.6809 -181.139 74.6808 292.021 -119.43 -181.14 -119.43 140.572 GPRESSURE: 872000 -324.286 82.2373 -125.565 150.137 242.622 -159.763 -272.078 -55.0804 154.997 PRESSAVG: 872000 -3.46266 7.11706 -59.727 7.11701 12.9018 -2.3263 -59.7269 -2.32624 11.2758 GPRESSAVG: 872000 -5.14751 7.31306 -60.1816 5.58355 14.8968 -2.28943 -57.849 -1.18201 10.7091 TIMING: 872000 CPU: 2755.77, 0.00315304/step Wall: 2755.77, 0.00315304/step, 3.61549 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: 872000 3928.8074 20757.2331 14533.6851 251.4759 -203353.4821 2654.1064 0.0000 0.0000 52248.7952 -108979.3790 300.2745 -161228.1742 -108618.9909 299.6424 5.7648 24.4444 761242.0495 6.9050 6.8195 PRESSURE: 872200 14.6087 -198.583 -99.6913 -198.583 28.7815 265.691 -99.6912 265.691 -254.165 GPRESSURE: 872200 0.854967 -143.168 -96.5172 -109.682 69.9934 281.898 -45.3725 156.36 -187.574 PRESSAVG: 872200 25.1256 -2.47354 -25.7116 -2.47355 -8.95062 -19.6744 -25.7115 -19.6744 22.8776 GPRESSAVG: 872200 25.7356 -1.32951 -27.4659 -0.645365 -9.46245 -17.1586 -24.6436 -20.3906 22.1452 TIMING: 872200 CPU: 2756.41, 0.00315867/step Wall: 2756.41, 0.00315867/step, 3.62176 hours remaining, 234.046875 MB of memory in use. ENERGY: 872200 4089.3041 20626.1223 14473.8914 247.5880 -203556.2503 2682.7230 0.0000 0.0000 52411.4965 -109025.1250 301.2096 -161436.6215 -108653.9943 300.4726 -70.2582 -38.9086 760099.5033 13.0175 12.8061 LDB: ============= START OF LOAD BALANCING ============== 2768.94 LDB: ============== END OF LOAD BALANCING =============== 2768.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.94 LDB: ============= START OF LOAD BALANCING ============== 2769.26 LDB: Largest compute 7058 load 0.033763 is 17.3% of average load 0.195397 LDB: Average compute 0.004370 is 2.2% of average load 0.195397 LDB: TIME 2769.26 LOAD: AVG 0.195397 MAX 0.216566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.711 MB LDB: TIME 2769.26 LOAD: AVG 0.195397 MAX 0.216566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.789 MB LDB: TIME 2769.26 LOAD: AVG 0.195397 MAX 0.216566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.789 MB LDB: ============== END OF LOAD BALANCING =============== 2769.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2769.27 PRESSURE: 872400 163.764 188.396 221.241 188.395 292.836 -59.8437 221.241 -59.8434 10.7146 GPRESSURE: 872400 201.587 147.745 230.375 209.38 267.348 -61.3081 181.264 1.50461 72.0278 PRESSAVG: 872400 -0.513529 -19.3761 21.999 -19.376 -22.0175 -49.3779 21.999 -49.3779 15.5326 GPRESSAVG: 872400 -0.667169 -21.1811 21.88 -18.2547 -22.3384 -50.8998 22.1 -49.0384 15.9233 TIMING: 872400 CPU: 2757.05, 0.00322533/step Wall: 2757.05, 0.00322533/step, 3.69802 hours remaining, 232.871094 MB of memory in use. ENERGY: 872400 3959.4508 20535.9981 14488.1611 253.3217 -203361.8475 2740.8146 0.0000 0.0000 52230.6098 -109153.4914 300.1700 -161384.1012 -108777.7200 299.8237 155.7717 180.3209 762474.5672 -2.3328 -2.3608 PRESSURE: 872600 125.35 194.387 63.4239 194.388 299.968 99.8381 63.4236 99.8391 614.685 GPRESSURE: 872600 217.776 225.183 81.0318 202.076 344.809 22.46 25.4718 115.14 552.786 PRESSAVG: 872600 7.05368 3.29243 12.0717 3.29235 -4.3394 -22.8493 12.0717 -22.8492 -0.358178 GPRESSAVG: 872600 5.84807 3.09909 12.9274 2.19209 -3.47226 -21.7579 10.8582 -23.2303 -0.0911421 TIMING: 872600 CPU: 2757.68, 0.00315608/step Wall: 2757.68, 0.00315608/step, 3.61845 hours remaining, 233.074219 MB of memory in use. ENERGY: 872600 3883.0257 20420.1420 14545.4649 263.5704 -203550.7755 2894.0976 0.0000 0.0000 52360.8713 -109183.6037 300.9186 -161544.4750 -108813.1147 299.7802 346.6674 371.7901 762446.2729 0.7854 0.7616 PRESSURE: 872800 42.6516 7.30317 27.6003 7.30454 8.97178 -203.188 27.6007 -203.188 95.6838 GPRESSURE: 872800 29.8845 44.8382 23.873 79.0789 63.7381 -169.383 34.207 -258.667 149.102 PRESSAVG: 872800 17.6153 7.77419 26.4239 7.77425 3.51618 -22.1982 26.4238 -22.1981 -17.4433 GPRESSAVG: 872800 19.7103 9.3488 27.91 6.63176 2.74924 -23.6917 26.6754 -21.9753 -19.0897 TIMING: 872800 CPU: 2758.31, 0.00314951/step Wall: 2758.31, 0.00314951/step, 3.61073 hours remaining, 233.132812 MB of memory in use. ENERGY: 872800 4063.5959 20598.0201 14403.2765 242.8298 -203733.7315 2955.8624 0.0000 0.0000 52184.6137 -109285.5331 299.9057 -161470.1468 -108927.5170 299.3075 49.1024 80.9082 761181.6576 1.2294 1.1233 PRESSURE: 873000 508.884 -82.9188 123.436 -82.9179 332.233 133.446 123.435 133.446 150.45 GPRESSURE: 873000 464.481 44.9707 97.4154 -82.198 393.685 100.045 -2.49534 168.731 204.204 PRESSAVG: 873000 52.3762 -21.8078 23.3948 -21.8078 -60.0036 34.1194 23.3948 34.1194 19.6742 GPRESSAVG: 873000 50.4005 -22.0217 20.7939 -20.605 -59.8018 34.0532 23.6223 34.2822 21.2481 TIMING: 873000 CPU: 2758.94, 0.00316083/step Wall: 2758.94, 0.00316083/step, 3.62354 hours remaining, 233.199219 MB of memory in use. ENERGY: 873000 3995.4963 20624.2851 14530.7955 267.4915 -203583.7174 3025.7696 0.0000 0.0000 51913.8013 -109226.0779 298.3493 -161139.8793 -108868.2151 299.5367 330.5220 354.1231 759909.2120 4.0156 3.9489 PRESSURE: 873200 113.665 -54.3037 198.233 -54.3032 -359.6 6.77334 198.233 6.77305 -57.7259 GPRESSURE: 873200 205.469 18.7893 160.473 -43.5086 -307.493 5.12497 169.58 136.296 -123.216 PRESSAVG: 873200 62.8453 43.6517 13.58 43.6516 -55.7364 9.91457 13.5801 9.9146 3.04858 GPRESSAVG: 873200 63.6777 44.4764 13.0809 43.5248 -56.2866 8.05796 15.7798 11.857 2.48235 TIMING: 873200 CPU: 2759.58, 0.00317443/step Wall: 2759.58, 0.00317443/step, 3.63896 hours remaining, 233.199219 MB of memory in use. ENERGY: 873200 4050.8155 20680.6118 14467.1055 260.9694 -203254.2936 2518.4686 0.0000 0.0000 52054.0884 -109222.2343 299.1556 -161276.3227 -108864.1546 299.8417 -101.2200 -75.0801 760544.4431 3.3858 3.2912 PRESSURE: 873400 -466.221 210.574 -273.449 210.574 -75.2934 119.996 -273.448 119.996 -322.407 GPRESSURE: 873400 -470.86 226.467 -312.873 59.4419 14.1666 103.38 -178.217 156.855 -331.552 PRESSAVG: 873400 -0.975431 48.7225 3.72968 48.7225 0.202073 -89.374 3.72961 -89.3739 -6.38873 GPRESSAVG: 873400 -2.26283 47.9274 5.40708 49.2438 1.59857 -88.6344 3.69121 -90.6728 -6.70053 TIMING: 873400 CPU: 2760.22, 0.00319831/step Wall: 2760.22, 0.00319831/step, 3.66615 hours remaining, 233.199219 MB of memory in use. ENERGY: 873400 3972.5649 20606.2905 14503.8334 267.2535 -202813.1895 2163.9319 0.0000 0.0000 52048.1631 -109251.1523 299.1215 -161299.3154 -108887.8155 299.6712 -287.9739 -262.7487 762207.5752 -2.3874 -2.4549 PRESSURE: 873600 42.6164 142.061 282.538 142.06 -278.56 -93.5991 282.538 -93.5996 259.692 GPRESSURE: 873600 37.7263 122.374 166.675 143.504 -250.382 -106.577 237.759 -96.7949 310.695 PRESSAVG: 873600 -15.3783 27.8767 22.9221 27.8767 -11.6457 -9.57313 22.9221 -9.57321 0.781177 GPRESSAVG: 873600 -15.455 29.1915 23.6039 28.0685 -12.1884 -9.24259 20.5811 -11.4181 0.967993 TIMING: 873600 CPU: 2760.85, 0.00314626/step Wall: 2760.85, 0.00314626/step, 3.60631 hours remaining, 233.199219 MB of memory in use. ENERGY: 873600 3968.2642 20582.0149 14459.9609 231.8640 -203737.2001 2884.3488 0.0000 0.0000 52224.7738 -109385.9736 300.1365 -161610.7474 -109012.1806 298.9168 7.9161 32.6801 760783.3060 -8.7476 -8.8918 PRESSURE: 873800 -295.112 37.6691 56.3698 37.6693 -12.8328 203.696 56.3701 203.696 -239.233 GPRESSURE: 873800 -235.924 121.78 50.384 110.721 5.06555 169.607 67.7183 252.297 -225.987 PRESSAVG: 873800 60.9251 3.22085 21.1744 3.22084 -14.6446 8.13997 21.1744 8.13995 6.81491 GPRESSAVG: 873800 61.4596 2.95861 19.6605 3.7944 -15.7287 7.54548 22.4655 10.0807 7.76972 TIMING: 873800 CPU: 2761.48, 0.00314884/step Wall: 2761.48, 0.00314884/step, 3.6091 hours remaining, 233.199219 MB of memory in use. ENERGY: 873800 4036.5923 20486.1507 14489.3516 246.9424 -203202.2765 2530.1327 0.0000 0.0000 52089.6052 -109323.5015 299.3597 -161413.1068 -108953.7232 299.4943 -182.3927 -152.2816 760795.8849 17.6985 17.8335 PRESSURE: 874000 -220.603 95.0128 114.709 95.0133 -105.63 124.006 114.709 124.007 29.3396 GPRESSURE: 874000 -122.886 97.058 58.8205 16.4263 -55.1387 158.267 69.1164 -62.5575 -8.70038 PRESSAVG: 874000 -23.009 46.9183 14.9801 46.9183 -10.9452 15.2829 14.9801 15.2829 -37.4113 GPRESSAVG: 874000 -24.0486 45.6993 15.8265 47.5499 -10.7298 16.1843 17.1575 12.7955 -37.3496 TIMING: 874000 CPU: 2762.1, 0.00313525/step Wall: 2762.1, 0.00313525/step, 3.59334 hours remaining, 233.199219 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: 874000 3980.7077 20538.5335 14441.5853 245.6422 -203086.9619 2558.4679 0.0000 0.0000 52038.4709 -109283.5544 299.0658 -161322.0253 -108917.6104 299.1003 -98.9645 -62.2415 761182.5973 -23.7885 -24.0426 PRESSURE: 874200 221.633 43.8488 -120.414 43.8486 -214.142 -173.77 -120.414 -173.771 -53.284 GPRESSURE: 874200 168.532 113.703 -190.395 91.2963 -148.583 -169.821 -22.325 -104.759 37.474 PRESSAVG: 874200 41.8273 -4.17282 35.985 -4.17276 -11.1271 -16.0807 35.985 -16.0807 8.07912 GPRESSAVG: 874200 42.6086 -4.58609 35.329 -4.7245 -10.4932 -16.7715 34.6009 -14.4145 6.45328 TIMING: 874200 CPU: 2762.73, 0.00313501/step Wall: 2762.73, 0.00313501/step, 3.59289 hours remaining, 233.199219 MB of memory in use. ENERGY: 874200 3952.3703 20399.4358 14342.9713 245.9736 -202637.4691 2341.2736 0.0000 0.0000 51779.3860 -109576.0585 297.5768 -161355.4445 -109209.9841 299.0690 -15.2641 19.1409 762777.5818 12.9264 12.8562 PRESSURE: 874400 -21.0879 -191.47 81.9921 -191.47 54.3985 -97.2729 81.9914 -97.2735 -258.1 GPRESSURE: 874400 -141.191 -86.15 45.8377 -152.3 172.668 -48.0676 91.5804 -222.055 -175.943 PRESSAVG: 874400 20.9472 -15.6966 -34.4535 -15.6967 25.2379 -7.62474 -34.4535 -7.62469 21.6682 GPRESSAVG: 874400 19.2894 -12.7404 -33.9889 -17.2459 25.4193 -6.64311 -36.0745 -8.77743 23.5488 TIMING: 874400 CPU: 2763.37, 0.00317115/step Wall: 2763.37, 0.00317115/step, 3.63414 hours remaining, 233.199219 MB of memory in use. ENERGY: 874400 3992.1396 20550.0837 14453.8669 242.5879 -202939.1309 2487.2816 0.0000 0.0000 51914.4846 -109298.6866 298.3533 -161213.1712 -108947.8993 298.7067 -74.9298 -48.1551 761822.9928 22.6178 22.7525 PRESSURE: 874600 -93.3812 54.6107 21.6247 54.6114 -21.9054 -146.805 21.6236 -146.805 138.229 GPRESSURE: 874600 70.4401 67.013 116.527 -2.95243 -62.5853 -186.567 -58.8113 -138.453 95.7898 PRESSAVG: 874600 -11.5872 -11.5252 -26.1776 -11.5251 27.0497 -58.0711 -26.1777 -58.0712 1.32824 GPRESSAVG: 874600 -9.89243 -14.3232 -26.2578 -11.0517 26.8837 -58.4298 -24.2021 -59.7692 0.200176 TIMING: 874600 CPU: 2763.99, 0.0031449/step Wall: 2763.99, 0.0031449/step, 3.60388 hours remaining, 233.199219 MB of memory in use. ENERGY: 874600 4002.3562 20654.4785 14440.7161 242.8219 -202839.3994 2418.0286 0.0000 0.0000 51732.1548 -109348.8433 297.3054 -161080.9980 -108998.8870 299.2050 7.6474 34.5482 762950.6571 5.5969 5.7305 PRESSURE: 874800 189.477 76.8234 -36.5243 76.8227 85.165 -29.8765 -36.5247 -29.8767 -42.7354 GPRESSURE: 874800 118.42 101.438 -84.3848 -29.0621 171.922 35.9085 30.5398 -58.3703 20.1829 PRESSAVG: 874800 -62.5849 36.1539 33.3565 36.1539 40.6019 -15.4055 33.3566 -15.4055 -4.68674 GPRESSAVG: 874800 -62.9907 37.3558 33.9603 37.3962 39.9396 -17.6292 31.9238 -11.9554 -3.95737 TIMING: 874800 CPU: 2764.62, 0.0031253/step Wall: 2764.62, 0.0031253/step, 3.58125 hours remaining, 233.199219 MB of memory in use. ENERGY: 874800 3955.1324 20543.2116 14445.3961 251.9161 -203416.9404 2816.4605 0.0000 0.0000 52101.2644 -109303.5593 299.4267 -161404.8237 -108948.1688 298.7364 77.3022 103.5083 761339.4459 -8.8899 -9.0029 PRESSURE: 875000 -206.845 85.9508 302.088 85.9515 -73.8769 -48.3847 302.088 -48.3849 299.802 GPRESSURE: 875000 -127.063 44.6508 348.755 130.107 -39.284 -19.6365 171.976 -65.0519 284.571 PRESSAVG: 875000 -32.5956 -45.501 58.3543 -45.501 37.1715 -20.92 58.3543 -20.92 -1.31091 GPRESSAVG: 875000 -31.0867 -46.8412 59.1422 -46.1994 36.9697 -20.9435 55.7666 -22.3738 -1.74602 TIMING: 875000 CPU: 2765.25, 0.00312761/step Wall: 2765.25, 0.00312761/step, 3.58372 hours remaining, 233.199219 MB of memory in use. ENERGY: 875000 3946.5906 20469.3664 14386.8734 239.9817 -202962.2108 2347.2941 0.0000 0.0000 52205.6242 -109366.4805 300.0264 -161572.1047 -109005.7445 299.1955 6.3599 39.4082 762162.2105 1.0883 1.3790 PRESSURE: 875200 20.0194 -1.32414 -47.3893 -1.32399 68.4423 291.889 -47.3884 291.89 -288.855 GPRESSURE: 875200 -13.5445 27.6601 -53.033 119.85 183.68 203.893 31.9743 347.555 -303.477 PRESSAVG: 875200 -23.4317 -51.7467 40.5707 -51.7467 49.7052 8.12398 40.5706 8.12405 26.0021 GPRESSAVG: 875200 -23.403 -50.6585 40.1431 -52.1874 50.9361 10.3677 42.3469 9.02423 24.7646 TIMING: 875200 CPU: 2765.87, 0.00312208/step Wall: 2765.87, 0.00312208/step, 3.57721 hours remaining, 233.199219 MB of memory in use. ENERGY: 875200 4003.8637 20439.7787 14430.6369 237.7067 -203427.1126 2865.5729 0.0000 0.0000 52244.4984 -109205.0552 300.2499 -161449.5537 -108846.0305 299.4933 -66.7978 -44.4471 760388.4651 17.4252 17.4325 PRESSURE: 875400 38.5116 -5.86235 180.344 -5.862 -77.6957 131.051 180.345 131.051 6.76236 GPRESSURE: 875400 61.4269 -55.8592 266.023 -121.569 -154.496 124.311 138.916 151.203 158.437 PRESSAVG: 875400 3.82131 62.709 -19.1033 62.709 7.36817 37.1863 -19.1033 37.1863 -5.08008 GPRESSAVG: 875400 2.3146 61.5129 -20.6736 63.3441 7.16106 38.449 -17.0368 35.9656 -3.02485 TIMING: 875400 CPU: 2766.5, 0.00315435/step Wall: 2766.5, 0.00315435/step, 3.61401 hours remaining, 233.199219 MB of memory in use. ENERGY: 875400 3930.3007 20522.3967 14431.7457 227.1259 -203036.2546 2487.0544 0.0000 0.0000 51980.6698 -109456.9613 298.7336 -161437.6311 -109099.3036 298.8654 -10.8073 21.7894 761389.6094 2.0365 2.1503 PRESSURE: 875600 109.191 -63.6492 108.811 -63.6491 -97.4956 -153.683 108.811 -153.681 411.188 GPRESSURE: 875600 144.388 -54.8131 74.9063 -99.8137 -41.391 -121.958 259.767 -124.041 406.966 PRESSAVG: 875600 29.0288 -42.8848 -18.8932 -42.8848 -47.463 21.753 -18.8933 21.753 0.561162 GPRESSAVG: 875600 29.0235 -41.9023 -16.9877 -42.6835 -46.6101 21.0332 -19.6233 24.1135 -0.302471 TIMING: 875600 CPU: 2767.13, 0.00313282/step Wall: 2767.13, 0.00313282/step, 3.58917 hours remaining, 233.199219 MB of memory in use. ENERGY: 875600 3997.7685 20453.4173 14446.1310 256.7124 -203107.0611 2492.7789 0.0000 0.0000 52017.7878 -109442.4652 298.9469 -161460.2529 -109081.8268 298.5766 140.9611 169.9879 760340.4187 -5.9577 -5.9630 PRESSURE: 875800 -155.277 47.0684 46.4375 47.0684 -34.1832 17.0444 46.4384 17.0451 -163.426 GPRESSURE: 875800 -156.279 67.9358 37.7249 29.8827 12.8765 -29.6464 53.5117 81.8081 -126.166 PRESSAVG: 875800 -28.6983 -49.4082 -7.74219 -49.4081 37.4673 72.0626 -7.74223 72.0627 20.9531 GPRESSAVG: 875800 -28.7622 -49.577 -9.00838 -49.5905 37.6427 72.6624 -10.0853 70.1188 20.5044 TIMING: 875800 CPU: 2767.76, 0.0031396/step Wall: 2767.76, 0.0031396/step, 3.59676 hours remaining, 233.199219 MB of memory in use. ENERGY: 875800 4004.0438 20319.7016 14498.0817 266.0670 -203293.1078 2796.1740 0.0000 0.0000 52040.5342 -109368.5054 299.0777 -161409.0396 -109012.9812 299.2071 -117.6287 -89.8563 760928.2154 9.9074 9.7950 PRESSURE: 876000 -186.904 -35.7835 8.48232 -35.7832 258.91 109.369 8.48209 109.37 192.158 GPRESSURE: 876000 -84.0388 -6.45263 -76.7181 -16.0645 213.465 129.218 -35.7896 93.1497 215.394 PRESSAVG: 876000 16.8897 -53.7143 14.9752 -53.7143 1.82145 49.5134 14.9751 49.5135 1.06708 GPRESSAVG: 876000 18.3064 -53.016 14.2386 -53.3305 -0.15719 47.3964 16.6421 52.0906 1.42675 TIMING: 876000 CPU: 2768.38, 0.0031372/step Wall: 2768.38, 0.0031372/step, 3.59384 hours remaining, 233.199219 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: 876000 4013.6801 20469.8546 14504.0927 237.0396 -203198.3627 2694.3522 0.0000 0.0000 52019.5002 -109259.8432 298.9568 -161279.3434 -108897.1930 299.7109 88.0547 114.9403 762277.9285 6.5928 6.5253 PRESSURE: 876200 31.4879 -7.2794 -43.0283 -7.27827 33.2457 50.9284 -43.0291 50.9286 56.0247 GPRESSURE: 876200 122.619 -94.2224 -59.0448 -121.152 55.7711 -20.2365 100.301 -54.4378 15.7929 PRESSAVG: 876200 13.1006 -33.1718 -15.1325 -33.1717 5.19336 16.6017 -15.1325 16.6019 -5.46186 GPRESSAVG: 876200 12.4485 -32.6802 -13.7401 -33.1382 4.76439 18.6056 -14.9605 16.0049 -4.74968 TIMING: 876200 CPU: 2769.01, 0.00314408/step Wall: 2769.01, 0.00314408/step, 3.60155 hours remaining, 233.199219 MB of memory in use. ENERGY: 876200 3957.1039 20482.4402 14564.3235 252.2084 -203005.2122 2604.4823 0.0000 0.0000 52115.9715 -109028.6824 299.5112 -161144.6539 -108662.3396 299.4567 40.2528 64.7277 761769.4054 4.2774 4.1544 LDB: ============= START OF LOAD BALANCING ============== 2781.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2781.54 LDB: =============== DONE WITH MIGRATION ================ 2781.54 LDB: ============= START OF LOAD BALANCING ============== 2781.86 LDB: Largest compute 7058 load 0.030909 is 15.8% of average load 0.195304 LDB: Average compute 0.004379 is 2.2% of average load 0.195304 LDB: TIME 2781.86 LOAD: AVG 0.195304 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.172 MB LDB: TIME 2781.86 LOAD: AVG 0.195304 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: TIME 2781.86 LOAD: AVG 0.195304 MAX 0.214491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: ============== END OF LOAD BALANCING =============== 2781.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2781.87 PRESSURE: 876400 -227.151 -236.953 124.48 -236.953 44.8583 -238.7 124.479 -238.7 -358.02 GPRESSURE: 876400 -189.239 -164.914 120.085 -319.077 39.5768 -203.348 72.2304 -91.2735 -330.925 PRESSAVG: 876400 23.5332 -33.3268 -12.3008 -33.3268 -25.0905 -13.5953 -12.3009 -13.5953 -15.3034 GPRESSAVG: 876400 23.4508 -35.7952 -12.9167 -33.2184 -24.9446 -15.1637 -12.4631 -14.2437 -15.7319 TIMING: 876400 CPU: 2769.65, 0.00320033/step Wall: 2769.65, 0.00320033/step, 3.6658 hours remaining, 233.640625 MB of memory in use. ENERGY: 876400 3980.6875 20641.2010 14378.8340 227.7924 -202859.5596 2303.0688 0.0000 0.0000 52181.5799 -109146.3961 299.8883 -161327.9760 -108788.9851 299.3389 -180.1044 -160.1957 762367.0834 -5.6202 -5.7419 PRESSURE: 876600 -282.74 16.4301 18.8885 16.4302 -178.509 136.148 18.8882 136.147 -247.352 GPRESSURE: 876600 -276.123 72.8515 20.8716 128.332 -195.402 109.274 7.13288 184.774 -167.866 PRESSAVG: 876600 -14.4737 13.3579 -46.9026 13.3579 -30.6242 37.434 -46.9026 37.4339 -32.5048 GPRESSAVG: 876600 -14.5349 15.1121 -47.4043 11.3422 -31.5139 38.9268 -45.365 37.3444 -32.2323 TIMING: 876600 CPU: 2770.28, 0.00312042/step Wall: 2770.28, 0.00312042/step, 3.5741 hours remaining, 233.640625 MB of memory in use. ENERGY: 876600 3977.7087 20387.9345 14468.8024 241.2507 -202669.1811 2165.0399 0.0000 0.0000 52076.8359 -109351.6090 299.2863 -161428.4449 -108981.8287 299.2109 -236.2004 -213.1301 762339.5719 -25.8676 -26.0937 PRESSURE: 876800 -203.505 38.9751 -19.5786 38.9748 -199.937 22.9027 -19.5792 22.9031 -243.717 GPRESSURE: 876800 -92.8606 44.2818 -38.3656 192.629 -183.616 -33.312 -24.6767 42.0824 -283.059 PRESSAVG: 876800 -51.9966 -36.3132 17.6219 -36.3132 99.0962 -1.66153 17.6219 -1.66154 16.0896 GPRESSAVG: 876800 -51.959 -36.9686 18.5143 -34.4958 100.087 -3.07503 16.035 -1.7487 15.4346 TIMING: 876800 CPU: 2770.9, 0.00314626/step Wall: 2770.9, 0.00314626/step, 3.60351 hours remaining, 233.695312 MB of memory in use. ENERGY: 876800 4034.3642 20468.6903 14435.1887 242.0514 -202672.0102 2331.1324 0.0000 0.0000 51873.6068 -109286.9764 298.1183 -161160.5832 -108928.6843 299.4856 -215.7201 -186.5119 762343.6846 21.0631 21.1876 PRESSURE: 877000 146.542 -15.4178 58.8344 -15.4181 -32.7279 -164.16 58.8355 -164.16 239.513 GPRESSURE: 877000 142.568 119.46 47.3721 -168.045 -30.978 -175.158 49.6309 -209.69 320.469 PRESSAVG: 877000 5.29366 -22.5523 -28.5614 -22.5523 16.3691 28.5321 -28.5614 28.5321 -21.1946 GPRESSAVG: 877000 4.50316 -23.0588 -28.21 -23.3255 15.2522 30.2329 -29.8578 27.9885 -19.931 TIMING: 877000 CPU: 2771.53, 0.00312267/step Wall: 2771.53, 0.00312267/step, 3.57632 hours remaining, 233.695312 MB of memory in use. ENERGY: 877000 4005.6744 20348.9846 14433.1545 243.2932 -203188.3421 2570.0384 0.0000 0.0000 52138.2365 -109448.9605 299.6392 -161587.1970 -109082.4821 299.1947 117.7755 144.0197 762026.0754 0.1560 -0.0585 PRESSURE: 877200 -135.472 -30.3658 -176.432 -30.3658 196.514 -136.701 -176.432 -136.7 -636.366 GPRESSURE: 877200 -41.4516 -143.929 -201.51 -57.3326 198.826 -195.299 -168.699 -206.368 -639.451 PRESSAVG: 877200 49.8231 -17.4447 -20.9212 -17.4447 -39.8131 4.92675 -20.9211 4.92672 12.7411 GPRESSAVG: 877200 49.7426 -15.3739 -20.3607 -17.3792 -39.1594 4.44938 -18.5449 5.03015 12.2555 TIMING: 877200 CPU: 2772.16, 0.00312852/step Wall: 2772.16, 0.00312852/step, 3.58285 hours remaining, 233.695312 MB of memory in use. ENERGY: 877200 3899.0881 20446.8622 14374.4440 242.1186 -203488.8266 2844.5814 0.0000 0.0000 52134.5742 -109547.1582 299.6181 -161681.7324 -109184.5230 298.8948 -191.7748 -160.6921 760835.5169 7.5837 7.6129 PRESSURE: 877400 -97.8605 -7.96259 -161.523 -7.96202 -151.6 -102.824 -161.523 -102.825 -669.511 GPRESSURE: 877400 -49.5121 -198.98 -60.7111 13.9002 -140.002 -148.756 -191.355 -86.9066 -633.909 PRESSAVG: 877400 2.50003 -41.1384 -30.9555 -41.1385 -20.4817 -18.014 -30.9555 -18.014 10.6937 GPRESSAVG: 877400 4.43165 -42.5371 -31.3111 -40.893 -21.1653 -19.8808 -30.9923 -17.9896 9.5712 TIMING: 877400 CPU: 2772.78, 0.00311841/step Wall: 2772.78, 0.00311841/step, 3.5711 hours remaining, 233.898438 MB of memory in use. ENERGY: 877400 4095.1721 20300.7406 14391.0807 266.3734 -202977.6341 2230.1462 0.0000 0.0000 52080.8983 -109613.2229 299.3096 -161694.1212 -109242.2167 298.8175 -306.3240 -274.4744 761270.4406 -2.4293 -2.3875 PRESSURE: 877600 -268.443 70.855 79.7623 70.8542 -188.845 107.307 79.7619 107.307 -87.6432 GPRESSURE: 877600 -233.11 60.7519 61.0732 142.287 -217.13 138.697 98.5604 66.2793 -8.68676 PRESSAVG: 877600 57.794 -7.26413 9.53508 -7.26407 -14.8656 -6.84939 9.53513 -6.84945 -22.6552 GPRESSAVG: 877600 56.1182 -6.32568 7.68684 -7.90546 -13.6194 -6.61135 8.52528 -5.49655 -22.1155 TIMING: 877600 CPU: 2773.41, 0.00313549/step Wall: 2773.41, 0.00313549/step, 3.59049 hours remaining, 233.898438 MB of memory in use. ENERGY: 877600 3947.8310 20573.1695 14450.0311 249.1522 -203360.4829 2542.1518 0.0000 0.0000 51908.1563 -109689.9910 298.3169 -161598.1473 -109330.5064 298.7123 -181.6438 -152.9756 761764.1342 6.7577 6.7944 PRESSURE: 877800 161.948 -11.35 -37.7086 -11.3502 -45.8394 -115.238 -37.7089 -115.238 -36.911 GPRESSURE: 877800 97.7024 -89.3449 9.46366 -47.2349 71.924 -155.277 63.0085 -45.3888 5.80842 PRESSAVG: 877800 -22.8814 49.9327 57.8659 49.9327 5.29746 20.1579 57.8659 20.1579 8.26331 GPRESSAVG: 877800 -23.1107 51.8333 59.5358 50.6843 5.03853 21.0856 57.7563 21.3959 8.99125 TIMING: 877800 CPU: 2774.03, 0.00313727/step Wall: 2774.03, 0.00313727/step, 3.59235 hours remaining, 233.898438 MB of memory in use. ENERGY: 877800 3878.1679 20442.8115 14442.1929 250.7457 -203030.7661 2388.9020 0.0000 0.0000 51836.9642 -109790.9820 297.9077 -161627.9461 -109422.5963 297.9925 26.3991 58.4783 761720.8854 -3.1069 -3.0270 PRESSURE: 878000 200.743 10.0708 -70.6276 10.0708 72.434 -88.7493 -70.6276 -88.7497 348.107 GPRESSURE: 878000 188.827 -18.8897 -54.7582 21.8604 141.524 -38.5146 -80.6968 -6.06784 379.651 PRESSAVG: 878000 -12.0976 -17.7848 3.19438 -17.7848 15.8827 -41.1211 3.19434 -41.1211 5.02893 GPRESSAVG: 878000 -11.0379 -19.2919 2.76023 -17.7731 15.4996 -39.662 3.32017 -42.5099 4.87103 TIMING: 878000 CPU: 2774.66, 0.00313447/step Wall: 2774.66, 0.00313447/step, 3.58896 hours remaining, 233.898438 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: 878000 3958.0580 20602.8200 14454.9919 248.6386 -203510.4804 2628.8587 0.0000 0.0000 51999.9508 -109617.1624 298.8444 -161617.1133 -109260.2515 298.9862 207.0946 236.6675 760054.0593 2.9380 3.1109 PRESSURE: 878200 -20.5404 89.4708 100.341 89.4711 145.229 401.564 100.342 401.563 101.377 GPRESSURE: 878200 -64.9073 -12.6532 42.7646 139.416 246.117 490.621 -9.35023 118.968 130.671 PRESSAVG: 878200 -42.4078 -68.1516 44.6452 -68.1516 35.6764 0.411088 44.6452 0.411048 1.64971 GPRESSAVG: 878200 -42.7291 -71.0108 44.2208 -66.7356 35.639 -2.15503 42.3988 -1.54394 1.26148 TIMING: 878200 CPU: 2775.28, 0.00311559/step Wall: 2775.28, 0.00311559/step, 3.56717 hours remaining, 233.898438 MB of memory in use. ENERGY: 878200 3936.3612 20498.2512 14455.6257 252.0464 -203802.2048 2713.8239 0.0000 0.0000 52034.0800 -109912.0163 299.0406 -161946.0963 -109551.6882 298.4101 75.3550 103.9603 759829.5552 -1.6939 -1.9429 PRESSURE: 878400 74.6326 46.7339 -32.8659 46.7342 -178.726 -63.0125 -32.8659 -63.0127 -225.063 GPRESSURE: 878400 82.2582 -9.52248 13.9692 -62.8438 -145.004 -54.2009 -171.311 -78.0739 -207.159 PRESSAVG: 878400 -39.3739 -30.715 -29.4796 -30.7151 43.988 -15.9114 -29.4796 -15.9115 4.646 GPRESSAVG: 878400 -41.445 -28.0925 -30.0195 -32.136 45.875 -14.5883 -27.2073 -14.2975 4.89556 TIMING: 878400 CPU: 2775.91, 0.00313462/step Wall: 2775.91, 0.00313462/step, 3.5888 hours remaining, 233.898438 MB of memory in use. ENERGY: 878400 3942.0341 20527.0102 14383.5695 259.2537 -203781.8134 2897.1464 0.0000 0.0000 51862.7564 -109910.0432 298.0560 -161772.7995 -109545.7038 298.3528 -109.7188 -89.9684 761935.1285 3.0867 3.1085 PRESSURE: 878600 -205.905 246.603 137.359 246.604 -219.629 -201.754 137.359 -201.754 -2.49072 GPRESSURE: 878600 -164.733 286.582 136.58 157.326 -228.206 -232.83 94.7028 -152.491 35.5001 PRESSAVG: 878600 -64.2758 -2.05741 -19.4388 -2.05737 61.6672 20.0657 -19.4388 20.0658 8.47341 GPRESSAVG: 878600 -62.7566 -3.50088 -18.7086 -2.74825 60.0149 19.7979 -19.0116 20.1566 8.6477 TIMING: 878600 CPU: 2776.54, 0.00316097/step Wall: 2776.54, 0.00316097/step, 3.61878 hours remaining, 233.898438 MB of memory in use. ENERGY: 878600 3960.5679 20411.7006 14423.2424 247.0489 -203204.4424 2314.0428 0.0000 0.0000 52055.5180 -109792.3219 299.1638 -161847.8398 -109415.5515 298.3648 -142.6749 -119.1462 760727.7155 1.9549 1.9687 PRESSURE: 878800 -182.032 14.4011 83.9895 14.4011 37.629 66.0736 83.9894 66.0736 13.2555 GPRESSURE: 878800 -84.5988 32.9276 54.015 19.8758 42.1019 69.9577 -121.516 37.9861 0.770265 PRESSAVG: 878800 -35.7543 -15.3262 -16.6157 -15.3263 42.2523 -2.13437 -16.6157 -2.13434 -20.8572 GPRESSAVG: 878800 -33.6019 -14.0517 -17.0986 -16.2443 41.3017 -2.31039 -17.7423 -0.671419 -22.2033 TIMING: 878800 CPU: 2777.17, 0.00315205/step Wall: 2777.17, 0.00315205/step, 3.60839 hours remaining, 233.898438 MB of memory in use. ENERGY: 878800 3950.1450 20473.5356 14405.7587 243.7565 -203799.2238 2908.8785 0.0000 0.0000 52311.1023 -109506.0472 300.6326 -161817.1495 -109136.0213 299.1520 -43.7158 -13.9089 761359.9435 -4.7864 -4.8345 PRESSURE: 879000 185.322 53.4886 -130.46 53.4883 91.4318 47.6132 -130.461 47.6124 -58.6182 GPRESSURE: 879000 272.106 40.4365 -221.454 62.3787 50.2522 79.9028 -31.7907 96.5173 -33.8353 PRESSAVG: 879000 -19.8421 -0.313439 -42.4812 -0.313495 9.2699 1.06007 -42.4813 1.06012 -12.1683 GPRESSAVG: 879000 -22.4293 -0.199696 -40.5756 2.60472 10.9055 2.17374 -43.2274 -0.590055 -11.4672 TIMING: 879000 CPU: 2777.8, 0.00312569/step Wall: 2777.8, 0.00312569/step, 3.57805 hours remaining, 233.933594 MB of memory in use. ENERGY: 879000 3959.0298 20658.5301 14439.9557 245.5284 -203729.9165 2853.9890 0.0000 0.0000 52035.0684 -109537.8150 299.0463 -161572.8835 -109174.0844 299.0573 72.7119 96.1742 762066.6090 -7.5802 -7.6637 PRESSURE: 879200 -220.048 5.49055 183.086 5.4899 80.0215 36.6499 183.086 36.6502 153.277 GPRESSURE: 879200 -97.6591 -18.4288 173.944 -15.3994 37.2628 113.946 33.6125 9.7155 139.127 PRESSAVG: 879200 4.52721 -11.9915 18.9646 -11.9915 -23.5083 -39.4459 18.9646 -39.446 -16.1377 GPRESSAVG: 879200 5.9415 -9.93328 16.3447 -15.3085 -24.3328 -40.8422 19.942 -39.3953 -17.0336 TIMING: 879200 CPU: 2778.43, 0.00314768/step Wall: 2778.43, 0.00314768/step, 3.60304 hours remaining, 233.933594 MB of memory in use. ENERGY: 879200 4033.5183 20488.9155 14403.2158 260.1778 -203645.1098 2817.1885 0.0000 0.0000 52001.2833 -109640.8107 298.8521 -161642.0940 -109286.4441 298.9022 4.4170 26.2434 762210.7740 -11.7063 -11.8083 PRESSURE: 879400 109.455 -30.4517 -25.871 -30.4517 -78.8339 -114.471 -25.8709 -114.47 -475.929 GPRESSURE: 879400 106.86 -53.3085 -39.5973 -205.953 -33.707 -130.884 -20.8532 -12.0748 -419.634 PRESSAVG: 879400 -52.381 -30.9356 -55.7484 -30.9357 18.3386 -40.8111 -55.7484 -40.8111 2.50148 GPRESSAVG: 879400 -52.878 -33.2052 -54.0367 -30.2831 18.5648 -39.4117 -56.6883 -41.666 2.94357 TIMING: 879400 CPU: 2779.06, 0.00316479/step Wall: 2779.06, 0.00316479/step, 3.62245 hours remaining, 233.933594 MB of memory in use. ENERGY: 879400 3988.2588 20550.3211 14397.7467 250.1440 -203352.4042 2668.8351 0.0000 0.0000 51981.9465 -109515.1518 298.7410 -161497.0984 -109157.4689 299.4161 -148.4360 -115.4936 761669.9362 -10.5136 -10.4565 PRESSURE: 879600 45.231 65.3478 -129.788 65.348 -213.808 -6.38518 -129.788 -6.38633 -170.997 GPRESSURE: 879600 135.164 112.363 -116.006 115.219 -213.428 -86.7874 -115.34 29.5753 -170.48 PRESSAVG: 879600 -28.5817 -46.8286 -92.138 -46.8286 15.5221 -46.7128 -92.138 -46.7127 7.38456 GPRESSAVG: 879600 -29.2082 -45.3492 -93.3511 -46.52 15.3876 -48.0343 -88.1663 -46.2851 8.45437 TIMING: 879600 CPU: 2779.69, 0.00316766/step Wall: 2779.69, 0.00316766/step, 3.62557 hours remaining, 233.933594 MB of memory in use. ENERGY: 879600 3912.5420 20772.1288 14423.5108 259.3881 -203607.5590 2410.1587 0.0000 0.0000 52308.2536 -109521.5769 300.6163 -161829.8305 -109171.9549 299.2528 -113.1915 -82.9144 761071.1215 -1.8917 -1.7888 PRESSURE: 879800 -182.131 0.054273 319.615 0.0538907 -324.295 102.507 319.616 102.507 -296.239 GPRESSURE: 879800 -161.04 -94.0876 344.155 36.8384 -281.474 88.1724 123.267 133.223 -260.826 PRESSAVG: 879800 25.8423 -27.4372 24.2566 -27.4372 20.6203 0.687854 24.2566 0.687781 6.99957 GPRESSAVG: 879800 25.9812 -29.6317 25.5841 -25.3301 21.2473 1.26124 17.687 -0.749313 6.01236 TIMING: 879800 CPU: 2780.32, 0.00315343/step Wall: 2780.32, 0.00315343/step, 3.6091 hours remaining, 233.933594 MB of memory in use. ENERGY: 879800 4022.7947 20726.9010 14372.2817 263.7328 -203726.2541 2792.8168 0.0000 0.0000 52050.7463 -109496.9807 299.1364 -161547.7271 -109132.8352 299.6020 -267.5548 -234.4468 762190.2871 17.8207 17.7470 PRESSURE: 880000 -242.352 -34.0449 208.564 -34.0448 102.167 -1.37171 208.564 -1.3711 137.121 GPRESSURE: 880000 -166.556 161.071 177.946 -16.3905 121.26 -26.0384 194.537 198.572 134.929 PRESSAVG: 880000 -25.2717 -22.2411 16.9898 -22.2411 71.454 3.3145 16.9897 3.31451 -4.64167 GPRESSAVG: 880000 -23.3528 -22.008 17.0991 -22.8995 69.8711 4.79201 20.7127 3.82696 -4.68485 TIMING: 880000 CPU: 2780.95, 0.00314584/step Wall: 2780.95, 0.00314584/step, 3.60024 hours remaining, 233.933594 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: 880000 3948.8461 20526.0620 14408.6146 249.7450 -203387.9235 2734.1640 0.0000 0.0000 52118.2520 -109402.2397 299.5243 -161520.4918 -109040.4613 299.0404 -1.0215 29.8777 760475.1416 13.8469 13.9445 PRESSURE: 880200 102.699 -58.4032 -94.672 -58.4024 -40.7981 1.83732 -94.6719 1.83832 -21.2151 GPRESSURE: 880200 28.9523 -61.0437 -109.494 -92.5559 84.1991 14.4285 -88.222 -52.1903 -9.00039 PRESSAVG: 880200 -58.2224 -33.9799 -1.15148 -33.9799 74.0243 -25.2947 -1.15146 -25.2948 2.04323 GPRESSAVG: 880200 -59.2741 -32.8329 -2.56977 -34.7658 73.8538 -25.8017 1.14012 -22.9909 3.35316 TIMING: 880200 CPU: 2781.58, 0.00314474/step Wall: 2781.58, 0.00314474/step, 3.59881 hours remaining, 233.933594 MB of memory in use. ENERGY: 880200 4020.0838 20625.1396 14509.6783 235.4002 -203366.1563 2482.5395 0.0000 0.0000 51978.7682 -109514.5467 298.7227 -161493.3149 -109146.9340 299.2655 13.5620 34.7170 759663.9196 5.9484 5.9776 LDB: ============= START OF LOAD BALANCING ============== 2794.12 LDB: ============== END OF LOAD BALANCING =============== 2794.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2794.12 LDB: ============= START OF LOAD BALANCING ============== 2794.44 LDB: Largest compute 7058 load 0.032566 is 16.7% of average load 0.195238 LDB: Average compute 0.004408 is 2.3% of average load 0.195238 LDB: TIME 2794.44 LOAD: AVG 0.195238 MAX 0.215362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.992 MB LDB: TIME 2794.44 LOAD: AVG 0.195238 MAX 0.215362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: TIME 2794.44 LOAD: AVG 0.195238 MAX 0.215362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: ============== END OF LOAD BALANCING =============== 2794.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2794.45 Info: useSync: 0 useProxySync: 0 PRESSURE: 880400 -23.3142 -45.7127 138.592 -45.7137 201.992 48.107 138.592 48.1065 -125.804 GPRESSURE: 880400 -118.085 17.0413 85.0584 44.4772 265.137 -52.5599 240.987 -20.6877 -22.1668 PRESSAVG: 880400 -37.0824 -52.891 2.82866 -52.891 27.9454 2.02583 2.82857 2.02583 -1.1373 GPRESSAVG: 880400 -37.2904 -53.2715 3.84919 -51.8191 29.0396 2.44688 -0.302016 0.209711 -2.19696 TIMING: 880400 CPU: 2782.23, 0.00323718/step Wall: 2782.23, 0.00323718/step, 3.70441 hours remaining, 232.156250 MB of memory in use. ENERGY: 880400 4006.2487 20520.1677 14457.5019 244.2076 -203454.8593 2573.1151 0.0000 0.0000 52046.4875 -109607.1308 299.1119 -161653.6183 -109254.4243 298.9244 17.6248 41.6284 760702.0793 -3.4248 -3.4826 PRESSURE: 880600 -59.929 -0.607178 74.7078 -0.607186 -299.791 46.3247 74.7089 46.3243 -127.861 GPRESSURE: 880600 -14.4238 119.507 163.344 -47.4785 -229.24 72.1208 1.89653 33.8494 -151.57 PRESSAVG: 880600 23.7222 -32.7144 17.6026 -32.7144 5.3015 -39.2741 17.6025 -39.274 -5.99733 GPRESSAVG: 880600 24.1394 -33.1889 19.0415 -33.8834 4.97841 -40.785 20.4524 -38.1787 -6.30442 TIMING: 880600 CPU: 2782.86, 0.00315539/step Wall: 2782.86, 0.00315539/step, 3.61064 hours remaining, 232.359375 MB of memory in use. ENERGY: 880600 3950.1967 20538.8524 14396.3110 259.3525 -203220.8340 2520.3970 0.0000 0.0000 51988.5571 -109567.1673 298.7790 -161555.7244 -109202.5384 299.1836 -162.5269 -131.7443 761221.3645 7.6754 7.6045 PRESSURE: 880800 26.1341 -21.4636 -34.6007 -21.4634 -317.406 -186.792 -34.6002 -186.792 42.9092 GPRESSURE: 880800 -16.4731 38.0037 -8.02869 49.7187 -291.289 -183.93 -55.6115 -265.604 121.735 PRESSAVG: 880800 8.6902 -52.5484 -24.1824 -52.5483 -28.83 38.023 -24.1823 38.023 12.9223 GPRESSAVG: 880800 7.44573 -52.2466 -24.0272 -52.0552 -28.6709 37.2825 -26.2699 37.044 13.6014 TIMING: 880800 CPU: 2783.49, 0.00313861/step Wall: 2783.49, 0.00313861/step, 3.59126 hours remaining, 232.359375 MB of memory in use. ENERGY: 880800 3997.7566 20558.3183 14472.3363 237.1313 -203549.6202 2651.8062 0.0000 0.0000 52164.8153 -109467.4562 299.7919 -161632.2715 -109112.3396 299.6946 -82.7876 -62.0090 760816.7418 -2.4059 -2.5412 PRESSURE: 881000 -81.2325 -264.283 91.0777 -264.283 29.0093 -105.425 91.0779 -105.424 18.0341 GPRESSURE: 881000 -149.48 -200.096 162.444 -213.897 124.03 -151.187 13.4539 -236.933 68.1961 PRESSAVG: 881000 -19.2311 -90.9927 -68.7149 -90.9928 -24.1842 -14.7188 -68.7149 -14.7188 17.1246 GPRESSAVG: 881000 -19.3507 -89.1345 -69.4519 -92.2407 -23.9366 -13.3891 -68.041 -15.0308 16.2884 TIMING: 881000 CPU: 2784.12, 0.00313428/step Wall: 2784.12, 0.00313428/step, 3.58613 hours remaining, 232.359375 MB of memory in use. ENERGY: 881000 4004.1150 20516.4304 14430.5416 247.2136 -203040.5628 2331.8640 0.0000 0.0000 52195.9697 -109314.4285 299.9710 -161510.3981 -108954.8151 299.7282 -11.3964 14.2488 761790.5659 -8.7636 -8.9997 PRESSURE: 881200 9.82209 -156.409 67.1331 -156.409 -463.471 31.6647 67.134 31.6659 -70.1392 GPRESSURE: 881200 9.50763 12.0374 6.48235 -174.688 -340.292 77.5695 -55.0736 -47.2154 -101.746 PRESSAVG: 881200 -42.4677 -68.9676 -13.7227 -68.9676 0.129897 2.03988 -13.7227 2.03994 3.48119 GPRESSAVG: 881200 -42.0406 -70.3043 -14.6707 -67.5044 -0.517291 1.89749 -13.7779 4.00033 3.64506 TIMING: 881200 CPU: 2784.74, 0.00312896/step Wall: 2784.74, 0.00312896/step, 3.57988 hours remaining, 232.359375 MB of memory in use. ENERGY: 881200 4014.4070 20539.2597 14430.5671 236.1390 -203533.2659 2636.4220 0.0000 0.0000 52438.3331 -109238.1380 301.3638 -161676.4710 -108869.2135 300.1909 -174.5959 -144.1765 760865.4932 -12.9522 -12.9710 PRESSURE: 881400 -120.936 -123.441 -116.921 -123.442 20.6099 -28.7406 -116.921 -28.7398 465.979 GPRESSURE: 881400 -63.7473 -202.774 -34.6233 -121.838 73.6961 -78.0719 -122.838 -12.3069 444.431 PRESSAVG: 881400 26.1491 -65.2742 -50.9079 -65.2742 -21.0006 -46.3276 -50.9079 -46.3277 -6.31551 GPRESSAVG: 881400 26.6915 -64.8134 -50.6861 -67.5283 -21.287 -48.3015 -49.9902 -47.5515 -6.62325 TIMING: 881400 CPU: 2785.37, 0.00314213/step Wall: 2785.37, 0.00314213/step, 3.59477 hours remaining, 232.359375 MB of memory in use. ENERGY: 881400 3954.3736 20470.7542 14434.9187 248.9421 -203617.9861 2902.4113 0.0000 0.0000 51985.4822 -109621.1041 298.7613 -161606.5863 -109256.2056 299.7734 121.8844 151.4599 761905.0432 -0.3890 -0.4062 PRESSURE: 881600 78.6965 -150.526 -25.0954 -150.526 -243.984 199.801 -25.0945 199.802 285.96 GPRESSURE: 881600 109.422 31.2631 -3.15476 -127.242 -212.81 203.322 0.753724 98.2995 288.463 PRESSAVG: 881600 -52.7857 44.6003 -12.9675 44.6003 -9.83813 -64.3316 -12.9674 -64.3315 13.5156 GPRESSAVG: 881600 -52.5385 44.5647 -12.9011 46.2012 -9.18213 -63.0424 -14.5828 -65.0639 12.6001 TIMING: 881600 CPU: 2786, 0.00314182/step Wall: 2786, 0.00314182/step, 3.59424 hours remaining, 232.359375 MB of memory in use. ENERGY: 881600 3910.0603 20609.3635 14420.6025 248.7185 -203593.2258 2915.1676 0.0000 0.0000 51976.9182 -109512.3951 298.7121 -161489.3134 -109144.7699 298.9795 40.2243 61.6915 763277.0123 -16.3694 -16.3735 PRESSURE: 881800 106.054 75.1581 163.266 75.1586 -36.7207 -119.978 163.267 -119.977 179.046 GPRESSURE: 881800 79.0588 -88.8774 78.7087 -55.1395 118.506 -101.381 326.936 -86.7871 133.86 PRESSAVG: 881800 -1.48836 -11.0187 -18.1711 -11.0186 19.9762 -2.00543 -18.171 -2.00541 2.02972 GPRESSAVG: 881800 -1.81419 -11.3728 -18.7922 -13.7601 19.4943 -3.3826 -17.4601 -2.92363 2.40765 TIMING: 881800 CPU: 2786.63, 0.00316908/step Wall: 2786.63, 0.00316908/step, 3.62525 hours remaining, 232.359375 MB of memory in use. ENERGY: 881800 4019.0821 20508.1076 14400.5052 245.3250 -203234.2629 2665.6727 0.0000 0.0000 51943.3904 -109452.1799 298.5194 -161395.5703 -109089.6315 298.8416 82.7930 110.4749 762586.4081 6.8392 6.6959 PRESSURE: 882000 -479.42 269.345 -7.77932 269.345 90.19 -105.94 -7.77856 -105.94 -345.006 GPRESSURE: 882000 -430.214 338.087 -38.7462 189.296 151.731 -50.4471 80.4614 -0.644761 -400.04 PRESSAVG: 882000 -13.5916 -26.0589 28.2091 -26.059 7.78753 56.8829 28.2091 56.8829 -12.5276 GPRESSAVG: 882000 -13.7502 -25.9981 30.081 -24.0834 7.48484 57.0307 27.6933 58.5419 -11.6885 TIMING: 882000 CPU: 2787.26, 0.00314957/step Wall: 2787.26, 0.00314957/step, 3.60276 hours remaining, 232.359375 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: 882000 4015.4952 20435.3388 14461.2260 243.6689 -203395.4924 2623.8408 0.0000 0.0000 51955.8819 -109660.0407 298.5912 -161615.9227 -109298.4069 298.9229 -244.7453 -226.1742 762181.8524 -6.1106 -5.9846 PRESSURE: 882200 -203.743 -102.559 170.649 -102.559 278.512 -101.221 170.649 -101.221 166.756 GPRESSURE: 882200 -151.104 -101.308 146.094 -199.075 241.556 -82.5024 228.161 -135.218 234.952 PRESSAVG: 882200 -57.7264 10.1397 8.74298 10.1397 48.3549 4.71674 8.74304 4.71681 12.7197 GPRESSAVG: 882200 -57.4821 10.0483 7.35793 10.404 48.9551 4.79765 8.26128 4.70272 11.5607 TIMING: 882200 CPU: 2787.89, 0.00315195/step Wall: 2787.89, 0.00315195/step, 3.60531 hours remaining, 232.359375 MB of memory in use. ENERGY: 882200 4047.2794 20394.1400 14458.5730 258.4534 -203592.7821 2748.7428 0.0000 0.0000 51992.2760 -109693.3174 298.8003 -161685.5934 -109329.1721 298.7127 80.5084 108.4679 761421.3383 1.1161 1.0112 PRESSURE: 882400 -281.173 -394.062 56.1464 -394.062 -110.276 16.4794 56.1458 16.4799 -187.95 GPRESSURE: 882400 -245.676 -255.53 72.5853 -360.587 -57.0395 25.3551 90.4655 -23.1476 -207.628 PRESSAVG: 882400 -33.1795 -7.22609 -9.47595 -7.22613 16.4913 18.2844 -9.47601 18.2845 12.715 GPRESSAVG: 882400 -33.3275 -8.34171 -10.5159 -5.73313 15.8716 20.9655 -8.54611 17.1771 13.7442 TIMING: 882400 CPU: 2788.52, 0.00314571/step Wall: 2788.52, 0.00314571/step, 3.598 hours remaining, 232.359375 MB of memory in use. ENERGY: 882400 3929.2626 20695.0649 14456.4132 232.9254 -203516.9749 2555.7211 0.0000 0.0000 51890.4196 -109757.1682 298.2150 -161647.5878 -109398.2249 298.4023 -193.1330 -170.1145 762432.0259 -1.3244 -1.2372 PRESSURE: 882600 -258.137 -43.9256 -43.4343 -43.9254 -265.265 18.8915 -43.4343 18.89 198.559 GPRESSURE: 882600 -155.073 -170.345 -5.11688 6.812 -162.614 -39.4071 -55.143 -52.2324 81.3353 PRESSAVG: 882600 60.4411 -51.9025 -34.0258 -51.9025 -26.5327 25.9688 -34.0257 25.9687 -5.83181 GPRESSAVG: 882600 61.1815 -49.7512 -34.1116 -54.0088 -27.1537 24.4368 -33.6198 24.9422 -5.96845 TIMING: 882600 CPU: 2789.15, 0.00315947/step Wall: 2789.15, 0.00315947/step, 3.61356 hours remaining, 232.359375 MB of memory in use. ENERGY: 882600 3972.8381 20569.3077 14357.3688 244.8999 -203451.2832 2682.5729 0.0000 0.0000 51932.7626 -109691.5332 298.4583 -161624.2957 -109327.2882 298.7930 -108.2809 -78.7842 761211.9475 9.3589 9.3531 PRESSURE: 882800 157.497 10.7772 176.483 10.7778 -212.581 12.8341 176.482 12.8357 -88.2532 GPRESSURE: 882800 164.144 -30.9922 88.7671 58.6046 -216.532 18.6236 201.803 140.404 -5.89574 PRESSAVG: 882800 36.1823 70.6538 4.78576 70.6537 -8.07572 27.8587 4.78583 27.8588 -29.56 GPRESSAVG: 882800 34.549 68.0612 6.06986 72.4862 -7.16895 28.1415 3.48799 28.9352 -29.0186 TIMING: 882800 CPU: 2789.78, 0.00314779/step Wall: 2789.78, 0.00314779/step, 3.60002 hours remaining, 232.359375 MB of memory in use. ENERGY: 882800 3978.8731 20488.8868 14474.2720 246.5456 -203421.5785 2481.5638 0.0000 0.0000 52060.5152 -109690.9221 299.1925 -161751.4372 -109331.9457 298.4571 -47.7792 -19.4280 762881.2339 -0.4845 -0.5462 PRESSURE: 883000 295.394 220.724 28.3923 220.723 106.743 -24.0424 28.3931 -24.0427 644.785 GPRESSURE: 883000 410.803 260.184 -24.7308 137.792 127.173 8.25443 4.36798 -105.233 577.525 PRESSAVG: 883000 20.3655 2.9196 -3.69975 2.91959 -80.2748 15.2778 -3.69973 15.2778 26.0135 GPRESSAVG: 883000 21.8324 4.98706 -4.61587 1.91822 -80.7366 15.4955 -2.41997 14.4565 24.8625 TIMING: 883000 CPU: 2790.41, 0.00315277/step Wall: 2790.41, 0.00315277/step, 3.60554 hours remaining, 232.359375 MB of memory in use. ENERGY: 883000 3938.2722 20467.2729 14339.0707 234.3503 -203575.0115 2725.9022 0.0000 0.0000 52095.1790 -109774.9642 299.3917 -161870.1431 -109410.6130 298.7470 348.9741 371.8335 761051.0293 -11.2986 -11.3472 PRESSURE: 883200 -414.169 -113.171 -57.7229 -113.17 69.3778 -28.3022 -57.7225 -28.3026 -289.828 GPRESSURE: 883200 -319.576 -49.6363 -68.6128 -129.195 59.208 30.6457 -13.949 -138.875 -310.145 PRESSAVG: 883200 23.1323 -14.3279 -3.44878 -14.3278 -11.6569 -7.20155 -3.44882 -7.20154 -0.793955 GPRESSAVG: 883200 22.1506 -15.1331 -1.55433 -15.7207 -11.5675 -8.29992 -5.13504 -5.76214 -0.43665 TIMING: 883200 CPU: 2791.04, 0.00314186/step Wall: 2791.04, 0.00314186/step, 3.59289 hours remaining, 232.359375 MB of memory in use. ENERGY: 883200 3984.7788 20383.3784 14513.7694 257.2887 -203544.9634 2614.5769 0.0000 0.0000 52142.2579 -109648.9132 299.6623 -161791.1711 -109290.4332 299.1866 -211.5397 -190.1709 762133.7497 3.5605 3.3821 PRESSURE: 883400 -80.5539 -179.252 223.812 -179.251 -91.7372 -29.109 223.812 -29.1095 220.582 GPRESSURE: 883400 -109.364 -197.933 146.012 -133.589 22.6616 9.76023 275.063 179.73 222.704 PRESSAVG: 883400 -8.77143 -19.5588 -36.2572 -19.5588 46.5975 24.6978 -36.2571 24.6978 -6.59758 GPRESSAVG: 883400 -9.80805 -17.7828 -38.4385 -19.8378 48.7342 25.8628 -32.9558 22.9633 -7.28794 TIMING: 883400 CPU: 2791.67, 0.00314298/step Wall: 2791.67, 0.00314298/step, 3.594 hours remaining, 232.359375 MB of memory in use. ENERGY: 883400 3967.2415 20420.2169 14466.8416 274.1766 -203349.0541 2633.1844 0.0000 0.0000 51999.5121 -109587.8812 298.8419 -161587.3932 -109230.8927 298.3524 16.0970 45.3338 762346.1172 10.4095 10.5461 PRESSURE: 883600 -77.5341 14.3599 -120.58 14.3609 32.7379 -218.101 -120.58 -218.101 -57.1437 GPRESSURE: 883600 48.8841 56.6245 -202.221 -102.14 -42.0251 -238.156 -1.8777 -159.025 -16.0292 PRESSAVG: 883600 44.158 -45.0776 5.8225 -45.0775 -23.8797 43.5278 5.82251 43.5278 22.3587 GPRESSAVG: 883600 44.8407 -45.978 4.95802 -43.9201 -25.721 41.8365 5.52038 44.843 22.7402 TIMING: 883600 CPU: 2792.3, 0.00313935/step Wall: 2792.3, 0.00313935/step, 3.58967 hours remaining, 232.359375 MB of memory in use. ENERGY: 883600 4018.5555 20334.2208 14335.9694 264.7967 -203269.7901 2601.3176 0.0000 0.0000 52219.0627 -109495.8675 300.1037 -161714.9302 -109133.5717 299.1269 -33.9800 -3.0567 763014.9795 14.2123 13.9533 PRESSURE: 883800 236.33 -41.816 101.905 -41.8156 -5.58569 58.9086 101.904 58.9087 -165.823 GPRESSURE: 883800 208.787 -98.6454 133.969 -73.8812 128.559 85.2063 49.5114 61.4306 -192.186 PRESSAVG: 883800 51.1337 -18.3839 3.44566 -18.3839 -54.7737 15.0544 3.44565 15.0544 -2.25247 GPRESSAVG: 883800 50.2879 -18.5992 5.13508 -19.2523 -55.1326 15.8825 1.04973 17.1001 -1.53658 TIMING: 883800 CPU: 2792.93, 0.00317717/step Wall: 2792.93, 0.00317717/step, 3.63274 hours remaining, 232.359375 MB of memory in use. ENERGY: 883800 3853.7632 20365.2921 14389.8793 257.6767 -203512.3759 2868.7957 0.0000 0.0000 52323.4207 -109453.5481 300.7034 -161776.9689 -109091.7661 298.8727 21.6403 48.3867 761794.4649 -1.9641 -2.1271 PRESSURE: 884000 -244.547 -159.641 333.181 -159.641 -54.8936 -39.4214 333.181 -39.4211 322.657 GPRESSURE: 884000 -163.16 -208.196 291.459 17.8256 -95.4307 -87.5872 368.881 -150.603 362.407 PRESSAVG: 884000 43.643 -13.8158 65.791 -13.8158 -43.4611 -15.4141 65.791 -15.4141 17.5015 GPRESSAVG: 884000 45.1541 -14.6927 65.2925 -11.6813 -44.0242 -15.0687 66.6738 -18.5792 16.6284 TIMING: 884000 CPU: 2793.57, 0.0031576/step Wall: 2793.57, 0.0031576/step, 3.61019 hours remaining, 232.359375 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: 884000 4028.2423 20557.8019 14403.6588 245.0698 -203170.9556 2501.8917 0.0000 0.0000 52133.0116 -109301.2795 299.6091 -161434.2911 -108944.7171 299.4477 7.7387 34.6053 761616.0033 5.8944 5.9194 PRESSURE: 884200 -220.531 -105.554 79.5373 -105.554 70.5605 64.9951 79.5373 64.9939 -172.912 GPRESSURE: 884200 -117.57 -151.811 132.574 -82.5107 25.6348 113.999 -5.11787 130.36 -173.039 PRESSAVG: 884200 -53.5297 -31.6413 41.3923 -31.6413 31.9002 0.394763 41.3923 0.394723 -3.69643 GPRESSAVG: 884200 -54.0273 -31.2922 43.5549 -33.7404 32.8122 1.37874 39.4491 0.379284 -3.95584 TIMING: 884200 CPU: 2794.2, 0.00317148/step Wall: 2794.2, 0.00317148/step, 3.62589 hours remaining, 232.359375 MB of memory in use. ENERGY: 884200 4078.7498 20471.4506 14420.4571 262.9902 -203581.9643 2809.1718 0.0000 0.0000 52058.8768 -109480.2680 299.1831 -161539.1448 -109127.2522 299.0944 -107.6276 -88.3248 761912.9426 -8.4420 -8.3903 LDB: ============= START OF LOAD BALANCING ============== 2806.74 LDB: ============== END OF LOAD BALANCING =============== 2806.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2806.74 LDB: ============= START OF LOAD BALANCING ============== 2807.05 LDB: Largest compute 7070 load 0.031883 is 16.3% of average load 0.195263 LDB: Average compute 0.004373 is 2.2% of average load 0.195263 LDB: TIME 2807.06 LOAD: AVG 0.195263 MAX 0.216727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.18 MB LDB: TIME 2807.06 LOAD: AVG 0.195263 MAX 0.216727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.383 MB LDB: TIME 2807.06 LOAD: AVG 0.195263 MAX 0.216727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.383 MB LDB: ============== END OF LOAD BALANCING =============== 2807.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2807.06 PRESSURE: 884400 -352.149 -81.6479 -58.0424 -81.6482 -126.393 132.209 -58.0426 132.209 74.4932 GPRESSURE: 884400 -280.464 -56.0968 -77.2274 -64.5984 -39.9836 51.4234 36.3054 110.099 -1.72404 PRESSAVG: 884400 24.6232 11.9161 28.5626 11.9161 2.92675 42.7093 28.5626 42.7093 1.29682 GPRESSAVG: 884400 22.6957 11.1946 25.9623 12.6841 3.59848 41.4255 30.9515 41.7868 1.83291 TIMING: 884400 CPU: 2794.85, 0.00323267/step Wall: 2794.85, 0.00323267/step, 3.69566 hours remaining, 233.695312 MB of memory in use. ENERGY: 884400 3867.0925 20441.5142 14432.2086 254.2033 -203419.6091 2588.8856 0.0000 0.0000 52161.9084 -109673.7965 299.7752 -161835.7049 -109300.0422 298.6230 -134.6830 -107.3904 761325.5927 9.6156 9.3757 PRESSURE: 884600 91.3541 -14.7072 -76.968 -14.7079 -65.4142 52.83 -76.9681 52.83 -128.07 GPRESSURE: 884600 171.71 -14.3849 43.9586 38.7145 -90.3663 114.987 -204.914 -72.524 -92.2699 PRESSAVG: 884600 112.656 37.4465 5.01336 37.4465 -85.256 2.04395 5.01331 2.04393 30.7838 GPRESSAVG: 884600 114.076 39.9012 5.60352 36.6146 -86.2366 2.18742 5.36383 3.21863 30.7718 TIMING: 884600 CPU: 2795.47, 0.00313437/step Wall: 2795.47, 0.00313437/step, 3.58311 hours remaining, 233.695312 MB of memory in use. ENERGY: 884600 4027.9726 20506.1766 14388.1991 233.2455 -203474.2743 2723.5155 0.0000 0.0000 51749.3049 -109845.8600 297.4040 -161595.1649 -109500.7228 298.9733 -34.0435 -3.6422 760308.4873 19.3946 19.5369 PRESSURE: 884800 291.872 -32.6771 -221.249 -32.677 -131.324 265.724 -221.249 265.724 -290.771 GPRESSURE: 884800 363.465 -3.14493 -115.608 4.64921 -98.6729 312.421 -251.902 176.936 -323.56 PRESSAVG: 884800 38.3536 46.1348 -10.006 46.1348 -28.2029 64.6041 -10.0059 64.6041 -8.7195 GPRESSAVG: 884800 38.4435 43.543 -8.56607 49.4096 -26.8932 64.3436 -11.859 64.1972 -9.71204 TIMING: 884800 CPU: 2796.11, 0.00316412/step Wall: 2796.11, 0.00316412/step, 3.61694 hours remaining, 233.695312 MB of memory in use. ENERGY: 884800 3988.8690 20328.6388 14404.2175 256.4171 -203275.0071 2481.5753 0.0000 0.0000 51885.1834 -109930.1060 298.1849 -161815.2895 -109570.8368 297.9783 -43.4073 -19.5894 761930.0861 0.4771 0.6128 PRESSURE: 885000 8.28293 163.95 -157.447 163.95 -207.595 107.74 -157.447 107.74 105.957 GPRESSURE: 885000 1.3401 81.0353 -236.08 184.622 -148.728 94.981 24.1521 -66.237 121.763 PRESSAVG: 885000 5.59679 20.1122 -28.946 20.1122 -24.0674 -19.6301 -28.946 -19.6301 -2.85784 GPRESSAVG: 885000 4.73611 21.8651 -30.1949 18.9038 -24.5614 -19.7169 -26.6489 -19.6291 -1.72838 TIMING: 885000 CPU: 2796.73, 0.00314108/step Wall: 2796.73, 0.00314108/step, 3.59043 hours remaining, 233.695312 MB of memory in use. ENERGY: 885000 4046.7697 20443.1808 14423.3448 231.8829 -203525.5073 2762.8472 0.0000 0.0000 51847.6385 -109769.8437 297.9691 -161617.4821 -109410.4480 298.1312 -31.1183 -8.5418 762400.9565 -7.1095 -7.1846 PRESSURE: 885200 181.635 248.519 23.1667 248.519 -9.46226 -83.6827 23.1672 -83.6825 232.856 GPRESSURE: 885200 213.292 252.195 -9.38999 98.3866 19.7721 -77.0434 -33.1553 -135.436 241.119 PRESSAVG: 885200 8.97895 89.2179 -30.7958 89.2179 7.6025 -39.0517 -30.7958 -39.0518 -21.246 GPRESSAVG: 885200 8.18622 89.1138 -29.9436 87.2175 7.25337 -40.4185 -33.4893 -38.3166 -20.1478 TIMING: 885200 CPU: 2797.36, 0.00312998/step Wall: 2797.36, 0.00312998/step, 3.57757 hours remaining, 233.695312 MB of memory in use. ENERGY: 885200 4020.9015 20394.1374 14379.9910 225.6202 -202985.9091 2374.9367 0.0000 0.0000 51992.0398 -109598.2825 298.7990 -161590.3224 -109238.3552 297.8339 135.0098 158.0611 762193.5834 -1.5549 -1.5694 PRESSURE: 885400 255.938 -198.242 185.912 -198.241 -0.757774 16.278 185.913 16.2763 104.929 GPRESSURE: 885400 242.709 -80.9795 148.133 -186.199 100.554 24.2961 95.6334 -51.7715 91.4013 PRESSAVG: 885400 33.7593 6.33341 -10.1489 6.33338 46.4984 6.35828 -10.1489 6.35821 -21.0461 GPRESSAVG: 885400 36.3378 5.93271 -11.6584 6.56117 45.1035 8.38524 -7.81976 5.70875 -21.8251 TIMING: 885400 CPU: 2797.99, 0.00316835/step Wall: 2797.99, 0.00316835/step, 3.62125 hours remaining, 233.695312 MB of memory in use. ENERGY: 885400 4025.0346 20377.4393 14380.1304 251.6213 -203219.0952 2658.4469 0.0000 0.0000 51834.2397 -109692.1829 297.8921 -161526.4227 -109337.7510 298.3315 120.0364 144.8881 761028.5863 19.7372 19.8721 PRESSURE: 885600 -121.643 51.7405 121.931 51.7405 -450.066 179.318 121.931 179.319 94.3794 GPRESSURE: 885600 -152.311 -36.2611 106.58 14.0576 -341.55 169.523 110.659 280.682 97.8852 PRESSAVG: 885600 -17.0547 31.468 -1.26507 31.468 25.4069 -30.5768 -1.2651 -30.5767 -7.59132 GPRESSAVG: 885600 -18.5234 33.3932 -1.39163 29.6436 27.4484 -30.2008 -1.82109 -31.041 -8.36798 TIMING: 885600 CPU: 2798.62, 0.00315039/step Wall: 2798.62, 0.00315039/step, 3.60055 hours remaining, 233.695312 MB of memory in use. ENERGY: 885600 3929.0086 20411.0286 14460.3722 239.9490 -203083.7848 2590.2246 0.0000 0.0000 51858.0838 -109595.1180 298.0291 -161453.2018 -109227.9147 298.8027 -159.1099 -131.9917 763282.7037 0.2536 0.1857 PRESSURE: 885800 -86.3171 -154.321 11.7996 -154.32 -193.107 29.5402 11.7997 29.5406 128.969 GPRESSURE: 885800 -92.2704 -75.7812 26.699 -145.696 -46.3273 -11.9257 -85.2958 38.4123 76.1444 PRESSAVG: 885800 -44.1734 10.2249 48.5882 10.225 -13.5384 46.7746 48.5881 46.7746 2.75684 GPRESSAVG: 885800 -43.4671 7.60874 48.7577 12.4366 -13.1111 45.5239 48.7193 49.5992 2.14369 TIMING: 885800 CPU: 2799.25, 0.00314393/step Wall: 2799.25, 0.00314393/step, 3.59298 hours remaining, 233.695312 MB of memory in use. ENERGY: 885800 4010.4606 20498.2336 14391.0323 247.9361 -203554.3551 2740.4483 0.0000 0.0000 51959.6407 -109706.6035 298.6128 -161666.2442 -109356.6649 298.6346 -50.1518 -20.8178 763533.5224 -18.3183 -18.1448 PRESSURE: 886000 -232.258 62.0367 155.159 62.0368 -58.8216 -55.4579 155.159 -55.458 -332.524 GPRESSURE: 886000 -190.9 155.088 212.589 -42.0222 -84.9223 -81.2702 189.72 43.2153 -291.462 PRESSAVG: 886000 -47.4473 39.3637 -8.97256 39.3637 -17.5287 34.2191 -8.97251 34.2192 8.23532 GPRESSAVG: 886000 -47.3608 40.1031 -7.86201 39.93 -18.9239 34.2115 -11.1975 31.8928 9.62149 TIMING: 886000 CPU: 2799.88, 0.0031503/step Wall: 2799.88, 0.0031503/step, 3.6001 hours remaining, 233.695312 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: 886000 3953.5354 20684.7939 14472.7010 223.5812 -203265.0676 2747.3859 0.0000 0.0000 51578.9832 -109604.0870 296.4251 -161183.0702 -109256.4972 298.4169 -207.8679 -189.0949 764516.9861 -18.9136 -18.8877 PRESSURE: 886200 -138.757 -37.4411 -143.224 -37.4406 84.5421 379.366 -143.223 379.368 -143.49 GPRESSURE: 886200 -41.5314 24.1359 -120.872 38.3029 66.8867 378.719 -29.4774 324.14 -143.666 PRESSAVG: 886200 6.25325 14.4301 -8.15615 14.4301 1.44006 68.3887 -8.15616 68.3887 8.10755 GPRESSAVG: 886200 5.89264 15.9243 -6.28131 15.2373 2.46659 68.1255 -7.42517 67.6375 7.34513 TIMING: 886200 CPU: 2800.51, 0.00315341/step Wall: 2800.51, 0.00315341/step, 3.60347 hours remaining, 233.695312 MB of memory in use. ENERGY: 886200 3985.5479 20399.3179 14431.0843 259.1498 -203382.4152 2499.4973 0.0000 0.0000 52144.9818 -109662.8363 299.6779 -161807.8180 -109294.8953 298.5798 -65.9018 -39.4368 762787.6408 5.2670 5.2348 PRESSURE: 886400 8.98051 5.95321 78.5961 5.95421 256.744 210.737 78.5961 210.737 173.396 GPRESSURE: 886400 -33.7071 -135.045 8.64156 -53.7565 330.6 162.422 -2.23291 300.701 233.265 PRESSAVG: 886400 45.7889 22.6461 31.1425 22.6461 -25.5869 87.315 31.1426 87.315 -6.84433 GPRESSAVG: 886400 46.7693 19.3336 28.6213 23.6996 -26.5933 88.312 31.6034 87.6874 -7.10697 TIMING: 886400 CPU: 2801.14, 0.00314759/step Wall: 2801.14, 0.00314759/step, 3.59665 hours remaining, 233.695312 MB of memory in use. ENERGY: 886400 4012.3282 20430.6596 14453.5019 247.9141 -203365.3403 2894.2359 0.0000 0.0000 51715.1141 -109611.5865 297.2075 -161326.7006 -109248.9506 298.7459 146.3736 176.7195 763307.5262 4.4526 4.3564 PRESSURE: 886600 -267.406 -31.1239 65.6906 -31.1247 -294.7 -277.138 65.6903 -277.14 -381.175 GPRESSURE: 886600 -275.76 -0.445813 63.4122 -21.6929 -206.701 -211.935 184.605 -262.055 -368.417 PRESSAVG: 886600 -34.6161 -3.51335 -11.0357 -3.51333 28.163 2.78749 -11.0356 2.78752 16.2561 GPRESSAVG: 886600 -35.7384 -0.510291 -10.3024 -4.12379 29.1253 1.15562 -9.23542 4.42665 17.2886 TIMING: 886600 CPU: 2801.77, 0.00315161/step Wall: 2801.77, 0.00315161/step, 3.60106 hours remaining, 233.695312 MB of memory in use. ENERGY: 886600 3946.0782 20496.4797 14444.1427 234.0434 -203356.5484 2490.8454 0.0000 0.0000 51906.0218 -109838.9373 298.3046 -161744.9591 -109478.9378 298.3857 -314.4271 -283.6259 763167.3343 3.2677 3.5585 PRESSURE: 886800 45.8123 -49.6324 -94.3507 -49.6318 -34.9719 -85.1942 -94.3516 -85.1941 -188.67 GPRESSURE: 886800 48.0335 5.09111 -92.7864 -36.1837 26.9948 -106.824 -85.6838 -131.077 -182.791 PRESSAVG: 886800 23.74 25.678 -11.6991 25.678 -14.8307 10.2975 -11.6991 10.2974 -13.5192 GPRESSAVG: 886800 24.3398 26.1559 -11.7366 25.7917 -14.1393 10.9816 -13.1972 7.73102 -14.2633 TIMING: 886800 CPU: 2802.41, 0.00316058/step Wall: 2802.41, 0.00316058/step, 3.61113 hours remaining, 233.695312 MB of memory in use. ENERGY: 886800 3934.2227 20475.5447 14431.1462 251.4098 -203724.1895 2950.8366 0.0000 0.0000 52029.5433 -109651.4863 299.0145 -161681.0296 -109293.5025 298.2096 -59.2764 -35.9208 762668.5268 -1.5366 -1.3543 PRESSURE: 887000 -248.957 90.6036 -154.746 90.6036 -144.062 -111.941 -154.747 -111.942 -106.243 GPRESSURE: 887000 -93.8572 131.798 -67.3045 102.542 -165.407 -158.571 -91.2023 -121.594 -165.064 PRESSAVG: 887000 36.5479 -36.8982 -72.1998 -36.8982 9.12966 58.4915 -72.1998 58.4915 17.6255 GPRESSAVG: 887000 37.4382 -38.2009 -72.5333 -37.3882 7.88299 58.1949 -72.3605 59.9245 18.2282 TIMING: 887000 CPU: 2803.03, 0.00314419/step Wall: 2803.03, 0.00314419/step, 3.59223 hours remaining, 233.695312 MB of memory in use. ENERGY: 887000 4006.6168 20403.4057 14438.1037 217.8048 -203218.1246 2640.1838 0.0000 0.0000 51997.7201 -109514.2898 298.8316 -161512.0099 -109146.2757 298.7728 -166.4206 -141.4428 763921.3449 21.1010 21.1832 PRESSURE: 887200 -32.1665 20.0701 -3.08406 20.0703 -209.75 208.414 -3.08331 208.416 212.017 GPRESSURE: 887200 -10.0114 -7.5775 -89.486 -1.71413 -133.39 158.669 83.0154 343.485 184.509 PRESSAVG: 887200 3.58816 9.20541 -41.5964 9.20543 -3.82027 9.86452 -41.5965 9.86451 7.63456 GPRESSAVG: 887200 2.96503 11.1088 -43.9761 8.41305 -4.0586 10.865 -40.3862 10.0567 7.96952 TIMING: 887200 CPU: 2803.67, 0.0031573/step Wall: 2803.67, 0.0031573/step, 3.60704 hours remaining, 233.695312 MB of memory in use. ENERGY: 887200 3902.3560 20626.6353 14301.9278 251.8358 -203286.4185 2729.1368 0.0000 0.0000 52064.1446 -109410.3822 299.2134 -161474.5268 -109053.8470 299.0660 -9.9666 13.7026 763019.9003 2.4675 2.2920 PRESSURE: 887400 64.0418 -5.67733 66.3068 -5.67703 96.8431 22.8666 66.3068 22.8664 -402.946 GPRESSURE: 887400 29.9031 124.218 18.9885 -77.4747 136.042 14.1815 158.664 44.3158 -352.611 PRESSAVG: 887400 -0.781519 -25.8026 -17.9585 -25.8026 22.1704 -4.11162 -17.9585 -4.11164 -3.69847 GPRESSAVG: 887400 -2.18148 -27.8087 -15.528 -26.8786 23.4386 -5.24342 -17.7287 -5.3254 -3.65246 TIMING: 887400 CPU: 2804.3, 0.00314885/step Wall: 2804.3, 0.00314885/step, 3.59722 hours remaining, 233.695312 MB of memory in use. ENERGY: 887400 3979.3320 20480.1474 14415.9495 248.9118 -203310.9527 2646.6340 0.0000 0.0000 52063.1781 -109476.7999 299.2078 -161539.9779 -109104.7497 298.9713 -80.6871 -62.2221 762836.9051 5.8968 5.8682 PRESSURE: 887600 -40.0752 184.382 -164.677 184.382 182.729 213.825 -164.677 213.825 -113.595 GPRESSURE: 887600 100.608 170.177 -219.779 113.817 206.218 248.386 -47.1656 202.099 -187.701 PRESSAVG: 887600 30.9784 16.2334 6.52985 16.2333 11.4904 30.0064 6.52979 30.0064 -1.61071 GPRESSAVG: 887600 32.0239 17.9782 5.52533 17.6784 10.2179 31.6581 5.40438 29.2862 -1.33868 TIMING: 887600 CPU: 2804.92, 0.00313483/step Wall: 2804.92, 0.00313483/step, 3.58102 hours remaining, 233.695312 MB of memory in use. ENERGY: 887600 4027.6306 20568.0163 14374.3904 220.0888 -203534.4054 2689.3655 0.0000 0.0000 52042.8282 -109612.0857 299.0908 -161654.9138 -109250.8036 298.8789 9.6863 39.7083 762179.7329 13.6194 13.6344 PRESSURE: 887800 242.049 35.1567 -397.75 35.157 -88.0407 165.951 -397.75 165.952 -278.078 GPRESSURE: 887800 177.028 -63.4502 -337.547 118.05 -8.53831 158.606 -343.271 3.70859 -189.437 PRESSAVG: 887800 8.62821 -1.7385 9.23574 -1.73851 -31.0685 33.7471 9.23581 33.7471 -1.98727 GPRESSAVG: 887800 8.03638 -2.65131 11.0789 -3.16531 -31.5013 32.5511 7.94565 34.5874 -1.28662 TIMING: 887800 CPU: 2805.55, 0.00315246/step Wall: 2805.55, 0.00315246/step, 3.60098 hours remaining, 233.695312 MB of memory in use. ENERGY: 887800 3958.2918 20564.0088 14469.2110 239.9415 -203101.3484 2457.4736 0.0000 0.0000 52054.8371 -109357.5846 299.1599 -161412.4217 -108996.6370 299.1064 -41.3568 -6.9826 761728.2490 -8.1425 -8.2505 PRESSURE: 888000 163.149 -107.463 308.152 -107.461 -143.993 8.94443 308.152 8.94396 -273.205 GPRESSURE: 888000 206.968 -52.887 349.614 -55.0903 -129.506 6.15426 387.169 62.2362 -246.719 PRESSAVG: 888000 62.7883 7.55399 19.8236 7.55399 -53.5411 -49.3339 19.8236 -49.334 -1.89826 GPRESSAVG: 888000 64.3354 5.49399 18.9708 8.70651 -53.4046 -47.6507 20.1115 -49.0308 -3.38372 TIMING: 888000 CPU: 2806.19, 0.00316646/step Wall: 2806.19, 0.00316646/step, 3.6168 hours remaining, 233.695312 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: 888000 3990.4296 20473.3300 14322.5239 242.7840 -203198.8066 2619.2889 0.0000 0.0000 52242.5433 -109307.9069 300.2386 -161550.4502 -108941.7341 299.2416 -84.6828 -56.4187 759185.5396 2.4497 2.5157 PRESSURE: 888200 2.91728 -2.53659 -28.0052 -2.53594 -55.1119 28.7924 -28.0049 28.7928 -69.491 GPRESSURE: 888200 58.3023 26.4785 -51.7983 -64.8044 -51.974 84.5225 -21.0916 15.4963 -60.5699 PRESSAVG: 888200 25.9288 23.5273 60.7861 23.5273 -41.0082 -33.1561 60.7862 -33.1562 -1.71117 GPRESSAVG: 888200 25.3783 24.0548 60.6882 22.9376 -40.4137 -34.8987 59.9954 -33.6592 -2.09189 TIMING: 888200 CPU: 2806.82, 0.00315934/step Wall: 2806.82, 0.00315934/step, 3.6085 hours remaining, 233.695312 MB of memory in use. ENERGY: 888200 3995.0189 20584.8563 14435.2847 253.2353 -203414.7174 2767.3811 0.0000 0.0000 52086.8010 -109292.1400 299.3436 -161378.9411 -108942.2077 299.1884 -40.5619 -18.0805 761559.1727 -5.5969 -5.7091 LDB: ============= START OF LOAD BALANCING ============== 2819.35 LDB: ============== END OF LOAD BALANCING =============== 2819.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2819.35 LDB: ============= START OF LOAD BALANCING ============== 2819.66 LDB: Largest compute 7070 load 0.031830 is 16.3% of average load 0.195328 LDB: Average compute 0.004391 is 2.2% of average load 0.195328 LDB: TIME 2819.67 LOAD: AVG 0.195328 MAX 0.219852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.988 MB LDB: TIME 2819.67 LOAD: AVG 0.195328 MAX 0.219852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.988 MB LDB: TIME 2819.67 LOAD: AVG 0.195328 MAX 0.217459 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.988 MB LDB: ============== END OF LOAD BALANCING =============== 2819.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2819.68 PRESSURE: 888400 -155.171 -51.3006 0.726927 -51.2995 -10.0374 134.997 0.726088 134.997 -78.6005 GPRESSURE: 888400 -164.551 -24.6806 -41.7361 -73.384 0.836985 47.1682 100.184 145.319 3.00712 PRESSAVG: 888400 29.4509 -18.8552 -11.5871 -18.8552 10.51 -55.472 -11.587 -55.472 -14.421 GPRESSAVG: 888400 29.1849 -19.8494 -12.0223 -18.5632 10.5056 -56.3395 -10.0556 -55.9354 -13.758 TIMING: 888400 CPU: 2807.46, 0.00320169/step Wall: 2807.46, 0.00320168/step, 3.65668 hours remaining, 233.054688 MB of memory in use. ENERGY: 888400 3966.8839 20627.8606 14405.5950 246.3692 -203168.9352 2465.5350 0.0000 0.0000 52246.1618 -109210.5297 300.2594 -161456.6915 -108847.4957 299.6963 -81.2697 -53.5691 761950.6060 8.5133 8.6442 PRESSURE: 888600 -132.154 68.8229 211.159 68.8224 -145.647 95.4249 211.158 95.4246 -268.299 GPRESSURE: 888600 -89.3606 113.11 151.887 115.187 -107.301 104.585 111.918 92.4067 -256.447 PRESSAVG: 888600 -17.7855 -1.14162 46.5602 -1.14157 52.2415 -24.6603 46.5603 -24.6604 19.6007 GPRESSAVG: 888600 -16.8195 -0.0964194 44.645 -2.75506 52.3694 -23.4786 44.4587 -24.345 18.696 TIMING: 888600 CPU: 2808.09, 0.00316448/step Wall: 2808.09, 0.00316448/step, 3.61402 hours remaining, 233.253906 MB of memory in use. ENERGY: 888600 3967.0106 20520.5384 14426.5131 231.6669 -203063.4675 2750.1850 0.0000 0.0000 51908.1095 -109259.4439 298.3166 -161167.5534 -108891.8463 299.5683 -182.0333 -151.0364 762160.6087 18.0189 18.0820 PRESSURE: 888800 -169.983 -80.171 51.0468 -80.1713 -136.635 -14.7438 51.0469 -14.7448 -213.469 GPRESSURE: 888800 -149.486 -68.5523 -46.4135 -90.4296 -143.563 -145.193 112.489 47.6069 -157.977 PRESSAVG: 888800 -9.62406 24.6008 1.56759 24.6008 45.4979 18.2604 1.56762 18.2604 6.57844 GPRESSAVG: 888800 -9.35152 24.1535 3.99579 28.2965 44.4295 17.4985 2.11408 19.3473 7.49912 TIMING: 888800 CPU: 2808.73, 0.00317467/step Wall: 2808.73, 0.00317467/step, 3.62547 hours remaining, 233.382812 MB of memory in use. ENERGY: 888800 3968.3445 20761.9926 14495.1437 252.0909 -202907.8925 2399.3913 0.0000 0.0000 52115.3596 -108915.5699 299.5077 -161030.9294 -108554.1648 300.2674 -173.3625 -150.3423 761117.8399 14.1508 14.1924 PRESSURE: 889000 -130.723 -94.5088 240.369 -94.5082 364.29 -63.3675 240.369 -63.3681 -181.715 GPRESSURE: 889000 -157.432 -176.649 314.962 -101.437 455.48 -35.3148 209.132 -6.04733 -155.575 PRESSAVG: 889000 11.0195 -51.7158 18.7085 -51.7159 -16.8226 14.5627 18.7085 14.5627 -26.8751 GPRESSAVG: 889000 10.7179 -52.1711 18.3519 -53.5682 -16.0089 15.309 18.6871 13.4667 -27.4651 TIMING: 889000 CPU: 2809.36, 0.00314566/step Wall: 2809.36, 0.00314566/step, 3.59217 hours remaining, 233.382812 MB of memory in use. ENERGY: 889000 4001.8333 20732.6450 14424.6673 225.6359 -203198.8791 2694.6973 0.0000 0.0000 52115.6430 -109003.7574 299.5093 -161119.4003 -108638.9066 300.3118 17.2839 47.4908 762195.0527 -10.8927 -10.9187 PRESSURE: 889200 -270.359 -63.2782 -78.3967 -63.2781 -97.4192 29.232 -78.3967 29.2323 72.5737 GPRESSURE: 889200 -213.069 59.7251 -17.0626 -30.9534 -24.0693 105.913 44.2214 -56.3757 7.48675 PRESSAVG: 889200 1.41139 -8.73274 73.5335 -8.73279 -3.26303 -9.74589 73.5335 -9.74594 -20.5491 GPRESSAVG: 889200 0.216303 -5.94499 73.6042 -9.19828 -2.74852 -7.19813 72.4668 -10.7755 -20.1324 TIMING: 889200 CPU: 2809.98, 0.00313286/step Wall: 2809.98, 0.00313286/step, 3.57738 hours remaining, 233.382812 MB of memory in use. ENERGY: 889200 3996.7713 20732.5920 14433.4221 241.8531 -202956.8328 2407.1928 0.0000 0.0000 52296.6265 -108848.3751 300.5494 -161145.0017 -108483.2748 300.2868 -98.4016 -76.5505 762338.2074 -7.4669 -7.5549 PRESSURE: 889400 108.989 111.82 152.8 111.819 93.8923 -169.805 152.8 -169.805 -37.3803 GPRESSURE: 889400 135.472 106.796 113.674 112.453 92.5153 -114.468 102.295 -234.191 0.36756 PRESSAVG: 889400 6.6803 6.00581 13.6918 6.00585 37.4034 -25.2508 13.6918 -25.2507 9.64361 GPRESSAVG: 889400 8.17189 4.90377 14.3851 6.18699 35.2076 -28.3544 15.4495 -24.8564 10.6448 TIMING: 889400 CPU: 2810.61, 0.00313743/step Wall: 2810.61, 0.00313743/step, 3.58242 hours remaining, 233.382812 MB of memory in use. ENERGY: 889400 4030.5622 20827.0157 14458.6996 260.1418 -203235.2720 2494.2622 0.0000 0.0000 52257.6006 -108906.9899 300.3251 -161164.5905 -108546.0584 300.4683 55.1670 76.1183 761466.7667 17.9091 18.0081 PRESSURE: 889600 139.253 -25.3131 30.3246 -25.3133 -170.149 -63.4767 30.3244 -63.4766 -188.24 GPRESSURE: 889600 181.386 74.3832 -7.5496 88.233 -149.139 -46.7422 49.8959 17.0676 -160.279 PRESSAVG: 889600 42.6941 -16.2052 41.8353 -16.2053 -21.8879 44.3104 41.8354 44.3104 9.52775 GPRESSAVG: 889600 41.5252 -17.1696 42.1288 -13.4812 -20.1407 46.4381 42.0988 45.1256 8.43877 TIMING: 889600 CPU: 2811.24, 0.00315322/step Wall: 2811.24, 0.00315322/step, 3.60028 hours remaining, 233.382812 MB of memory in use. ENERGY: 889600 4026.7857 20680.9748 14480.7041 252.1930 -203120.5868 2505.5350 0.0000 0.0000 52060.9128 -109113.4814 299.1948 -161174.3942 -108755.7339 299.6181 -73.0455 -42.6773 762353.1457 10.1113 9.9411 PRESSURE: 889800 -263.867 187.115 17.5751 187.115 116.042 198.871 17.5751 198.872 120.547 GPRESSURE: 889800 -183.826 76.7566 -18.4662 76.2887 71.4577 175.874 -14.8718 166.232 180.248 PRESSAVG: 889800 21.2126 -40.9502 -11.2705 -40.9503 18.7787 13.2281 -11.2705 13.228 -21.8112 GPRESSAVG: 889800 21.5641 -40.0452 -13.1769 -42.998 17.6645 12.8458 -11.6866 14.1263 -20.9735 TIMING: 889800 CPU: 2811.87, 0.00313493/step Wall: 2811.87, 0.00313493/step, 3.57922 hours remaining, 233.382812 MB of memory in use. ENERGY: 889800 4005.5450 20462.7055 14351.2691 253.4053 -203475.6517 2901.5318 0.0000 0.0000 52134.8339 -109366.3611 299.6196 -161501.1950 -109002.0695 299.4292 -9.0925 22.6267 761745.8670 6.0600 6.0850 PRESSURE: 890000 -106.06 249.379 25.9307 249.378 -182.724 22.9872 25.9307 22.9875 314.986 GPRESSURE: 890000 -46.4711 202.686 87.0219 220.12 -237.924 106.167 -17.8432 67.5042 379.056 PRESSAVG: 890000 18.0316 -5.84555 42.3359 -5.84557 -17.5544 -19.5683 42.336 -19.5682 22.931 GPRESSAVG: 890000 17.961 -4.55323 43.2162 -5.74094 -16.7728 -19.6673 43.5841 -19.7348 22.2485 TIMING: 890000 CPU: 2812.5, 0.0031845/step Wall: 2812.5, 0.0031845/step, 3.63564 hours remaining, 233.382812 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: 890000 3953.9427 20491.8218 14407.4959 255.1840 -203548.6749 2950.4799 0.0000 0.0000 51918.2312 -109571.5194 298.3748 -161489.7506 -109214.0323 298.9347 8.7340 31.5538 762752.2814 7.8027 7.8122 PRESSURE: 890200 130.298 73.1825 53.2215 73.1831 266.382 -31.1862 53.2217 -31.186 345.845 GPRESSURE: 890200 168.956 25.2606 44.215 90.0271 350.394 -53.2225 54.4856 -5.12324 305.059 PRESSAVG: 890200 -5.81854 31.1616 -10.9045 31.1615 25.1832 -8.2658 -10.9045 -8.2658 -15.4507 GPRESSAVG: 890200 -5.8554 29.4937 -10.5634 30.3541 25.25 -10.4763 -11.2396 -9.28829 -15.6825 TIMING: 890200 CPU: 2813.14, 0.00318769/step Wall: 2813.14, 0.00318769/step, 3.6391 hours remaining, 233.382812 MB of memory in use. ENERGY: 890200 3957.8230 20592.4834 14380.1962 262.6542 -203426.3540 2900.1407 0.0000 0.0000 51929.1945 -109403.8619 298.4378 -161333.0564 -109039.7449 298.8863 247.5083 274.8028 763154.7313 1.3047 1.2374 PRESSURE: 890400 90.1765 -85.1055 -68.683 -85.1045 -317.103 -117.019 -68.6817 -117.02 348.521 GPRESSURE: 890400 41.8419 -47.7299 -109.407 -94.4012 -233.222 -159.881 -80.1846 55.6833 393.94 PRESSAVG: 890400 40.2599 4.56786 27.633 4.56782 -19.4977 -18.1164 27.633 -18.1164 8.19139 GPRESSAVG: 890400 40.0132 6.39244 27.1183 3.69522 -19.8936 -16.5458 24.7182 -17.2215 8.512 TIMING: 890400 CPU: 2813.78, 0.00318284/step Wall: 2813.78, 0.00318284/step, 3.63338 hours remaining, 233.382812 MB of memory in use. ENERGY: 890400 4010.8243 20608.4421 14341.0919 237.0585 -203587.1907 2866.1666 0.0000 0.0000 52202.1085 -109321.4989 300.0062 -161523.6074 -108961.0461 299.3636 40.5313 67.5198 761753.9773 9.6512 9.5439 PRESSURE: 890600 -50.9756 -285.185 99.9744 -285.184 -352.006 -85.7839 99.975 -85.7828 -199.977 GPRESSURE: 890600 -55.1327 -223.155 87.9581 -255.728 -303.601 -93.6835 183.08 -64.1198 -170.284 PRESSAVG: 890600 1.11294 -65.4284 -22.5671 -65.4284 16.2233 -31.3096 -22.5671 -31.3097 -9.02719 GPRESSAVG: 890600 0.521099 -64.9383 -23.2645 -64.8971 16.4024 -31.8345 -18.9822 -31.6622 -8.87897 TIMING: 890600 CPU: 2814.41, 0.00314401/step Wall: 2814.41, 0.00314401/step, 3.58889 hours remaining, 233.382812 MB of memory in use. ENERGY: 890600 4016.6798 20738.6781 14410.8670 273.4638 -203372.6052 2719.2642 0.0000 0.0000 52099.9311 -109113.7212 299.4190 -161213.6524 -108752.0049 300.1242 -200.9862 -176.3392 762118.4199 2.7697 2.6815 PRESSURE: 890800 340.485 -44.3181 -183.567 -44.3183 272.157 231.822 -183.566 231.821 207.101 GPRESSURE: 890800 330.968 68.5971 -165.986 30.8731 366.567 252.749 -134.945 159.493 201.579 PRESSAVG: 890800 7.74775 -5.8372 59.8588 -5.83719 -9.09808 44.229 59.8588 44.2291 5.69984 GPRESSAVG: 890800 8.30453 -7.24153 60.4242 -4.71828 -8.53564 44.0541 57.8884 42.4248 4.61489 TIMING: 890800 CPU: 2815.03, 0.00312063/step Wall: 2815.03, 0.00312063/step, 3.56202 hours remaining, 233.382812 MB of memory in use. ENERGY: 890800 4009.9015 20510.1402 14387.2931 241.5300 -203613.4197 3031.3912 0.0000 0.0000 52173.6397 -109259.5239 299.8426 -161433.1636 -108893.1500 299.7370 273.2477 299.7049 761251.3269 1.4498 1.4613 PRESSURE: 891000 -16.145 -58.6661 32.7816 -58.6662 81.4803 -61.6967 32.7821 -61.6972 -100.364 GPRESSURE: 891000 -19.0517 -128.203 -51.5358 -31.1352 146.386 -109.601 18.6525 -40.0271 -84.2078 PRESSAVG: 891000 -19.6524 -31.039 31.0836 -31.039 15.7047 35.1858 31.0836 35.1858 -11.8154 GPRESSAVG: 891000 -20.1386 -33.507 30.9086 -28.6301 15.482 35.1832 30.6133 35.7659 -10.7656 TIMING: 891000 CPU: 2815.66, 0.0031356/step Wall: 2815.66, 0.0031356/step, 3.57894 hours remaining, 233.382812 MB of memory in use. ENERGY: 891000 3989.7876 20536.1090 14375.1248 252.5036 -203438.4487 2813.1685 0.0000 0.0000 52198.6602 -109273.0951 299.9864 -161471.7553 -108917.8034 299.9345 -11.6761 14.3756 762269.3008 -5.2544 -5.1407 PRESSURE: 891200 -55.7374 -95.3561 -81.1858 -95.3558 -22.9811 -39.6559 -81.1857 -39.6561 -16.3627 GPRESSURE: 891200 96.9844 -60.561 -110.219 -84.0976 -161.194 42.1987 -24.4399 -83.2458 50.0222 PRESSAVG: 891200 -4.63497 -48.8715 1.31969 -48.8715 -7.55648 20.5097 1.31972 20.5097 9.50574 GPRESSAVG: 891200 -4.26975 -46.9854 0.206347 -52.2414 -6.91073 22.0076 3.59944 21.4013 8.56564 TIMING: 891200 CPU: 2816.29, 0.00313644/step Wall: 2816.29, 0.00313644/step, 3.57973 hours remaining, 233.382812 MB of memory in use. ENERGY: 891200 4023.8770 20712.1685 14446.0106 239.4577 -203580.9239 2685.9445 0.0000 0.0000 52242.9742 -109230.4914 300.2411 -161473.4656 -108875.2830 299.9595 -31.6937 -4.7293 762296.3281 -0.8952 -0.8716 PRESSURE: 891400 271.229 40.5065 151.769 40.5065 120.642 -89.1462 151.769 -89.1472 13.6828 GPRESSURE: 891400 211.866 92.3496 130.754 86.5711 167.002 -123.791 37.8072 -47.6544 109.805 PRESSAVG: 891400 -3.81624 -51.1539 13.3462 -51.1539 -14.7764 31.8229 13.3463 31.8229 -9.39594 GPRESSAVG: 891400 -3.48797 -50.685 14.5791 -50.7806 -15.884 31.4443 11.04 31.7426 -8.94689 TIMING: 891400 CPU: 2816.91, 0.00314111/step Wall: 2816.91, 0.00314111/step, 3.58488 hours remaining, 233.382812 MB of memory in use. ENERGY: 891400 3976.2114 20476.3842 14458.0389 264.4687 -203556.1722 2929.6733 0.0000 0.0000 52019.9535 -109431.4422 298.9594 -161451.3957 -109072.3978 299.6964 135.1843 162.8908 762422.4382 -9.3295 -9.4396 PRESSURE: 891600 -84.08 21.5177 -39.9397 21.5172 -2.30434 -11.7851 -39.9391 -11.7845 -250.881 GPRESSURE: 891600 -31.0848 44.0658 -81.3757 51.4485 68.9544 -59.4153 -69.9992 0.890472 -256.039 PRESSAVG: 891600 -1.37931 -8.66495 -4.12598 -8.66496 -35.6786 -45.5846 -4.12599 -45.5846 6.59191 GPRESSAVG: 891600 -1.21377 -7.71382 -5.08015 -6.54562 -36.366 -46.112 -3.09367 -46.6132 6.8416 TIMING: 891600 CPU: 2817.54, 0.00313088/step Wall: 2817.54, 0.00313088/step, 3.57303 hours remaining, 233.382812 MB of memory in use. ENERGY: 891600 4002.3908 20419.6775 14421.8086 241.3408 -203460.8579 2762.3494 0.0000 0.0000 52184.0952 -109429.1956 299.9027 -161613.2908 -109062.3613 299.1157 -112.4219 -72.7230 762195.1021 -10.1553 -10.2460 PRESSURE: 891800 266.536 264.701 68.6442 264.701 -103.275 -235.561 68.6439 -235.56 -27.1437 GPRESSURE: 891800 275.576 385.14 143.16 234.485 -35.2361 -126.351 -31.5245 -203.414 -1.10382 PRESSAVG: 891800 17.7177 -34.0117 9.16823 -34.0117 5.2714 -79.8402 9.16828 -79.8402 -10.2506 GPRESSAVG: 891800 15.6897 -33.7983 9.26375 -36.2872 6.46043 -79.3126 9.52568 -79.2466 -9.20658 TIMING: 891800 CPU: 2818.16, 0.00312349/step Wall: 2818.16, 0.00312349/step, 3.56443 hours remaining, 233.382812 MB of memory in use. ENERGY: 891800 3953.4916 20598.6261 14462.4302 247.3057 -203637.8870 3073.5383 0.0000 0.0000 51977.7997 -109324.6953 298.7171 -161302.4950 -108967.1568 299.2509 45.3721 79.7452 761711.0445 4.2462 4.3145 PRESSURE: 892000 -393.334 186.266 63.0274 186.266 8.68801 -41.516 63.0274 -41.5151 122.104 GPRESSURE: 892000 -400.586 66.0889 38.3746 173.126 71.0574 -30.4924 -68.1281 -14.1132 133.815 PRESSAVG: 892000 36.6857 21.8079 20.2912 21.8079 -41.8428 -20.9102 20.2913 -20.9102 6.64952 GPRESSAVG: 892000 38.6498 18.978 21.4942 23.0493 -41.2532 -21.1611 19.6081 -20.6862 3.89551 TIMING: 892000 CPU: 2818.79, 0.00314105/step Wall: 2818.79, 0.00314105/step, 3.58429 hours remaining, 233.382812 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: 892000 4016.8610 20482.8237 14436.9952 257.4966 -203343.7972 2581.3110 0.0000 0.0000 52240.4054 -109327.9042 300.2263 -161568.3096 -108960.0488 299.3234 -87.5141 -65.2378 762597.3157 0.4975 0.4307 PRESSURE: 892200 -210.995 -148.963 6.46702 -148.963 485.504 38.3002 6.4661 38.3012 133.112 GPRESSURE: 892200 15.4268 -138.446 85.7476 -57.4469 374.293 38.0723 72.3612 -67.6252 113.418 PRESSAVG: 892200 -66.7359 -59.3529 20.4375 -59.3529 64.0843 9.76255 20.4375 9.76256 -10.8643 GPRESSAVG: 892200 -67.0393 -58.9453 21.3922 -59.5066 62.8855 9.24666 22.3825 8.32252 -9.33125 TIMING: 892200 CPU: 2819.42, 0.00315421/step Wall: 2819.42, 0.00315421/step, 3.59912 hours remaining, 233.382812 MB of memory in use. ENERGY: 892200 4030.6157 20650.0500 14411.8476 247.1771 -203773.6807 2910.1824 0.0000 0.0000 52188.3870 -109335.4210 299.9274 -161523.8080 -108978.6422 299.5536 135.8737 167.7129 759467.3017 -4.5053 -4.4950 LDB: ============= START OF LOAD BALANCING ============== 2831.95 LDB: ============== END OF LOAD BALANCING =============== 2831.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2831.95 LDB: ============= START OF LOAD BALANCING ============== 2832.27 LDB: Largest compute 7031 load 0.031136 is 15.9% of average load 0.195337 LDB: Average compute 0.004379 is 2.2% of average load 0.195337 LDB: TIME 2832.27 LOAD: AVG 0.195337 MAX 0.212852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.703 MB LDB: TIME 2832.27 LOAD: AVG 0.195337 MAX 0.212852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.703 MB LDB: TIME 2832.27 LOAD: AVG 0.195337 MAX 0.212852 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.703 MB LDB: ============== END OF LOAD BALANCING =============== 2832.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2832.28 PRESSURE: 892400 -253.83 -64.3008 -126.479 -64.3017 -221.106 -41.5954 -126.479 -41.5954 -418.018 GPRESSURE: 892400 -187.58 -129.765 -138.363 -4.76185 -305.584 -71.315 6.96304 -130.076 -312.357 PRESSAVG: 892400 36.6031 -85.7586 70.7191 -85.7585 -54.3853 -22.6341 70.7191 -22.6341 13.8742 GPRESSAVG: 892400 38.1892 -84.5463 69.9897 -85.2084 -55.3904 -23.3595 69.9688 -22.2504 13.2501 TIMING: 892400 CPU: 2820.06, 0.00318597/step Wall: 2820.06, 0.00318596/step, 3.63518 hours remaining, 234.781250 MB of memory in use. ENERGY: 892400 3944.0750 20532.8936 14453.4144 232.0744 -203143.2005 2499.5408 0.0000 0.0000 52317.2234 -109163.9789 300.6678 -161481.2024 -108788.5184 299.7139 -297.6510 -268.5070 762836.2855 -1.3027 -1.3170 PRESSURE: 892600 154.385 -113.599 12.3322 -113.599 178.579 175.032 12.333 175.033 389.725 GPRESSURE: 892600 218.275 -116.768 14.6525 -147.494 212.265 135.636 39.3623 180.779 364.631 PRESSAVG: 892600 64.9708 -26.9252 30.5833 -26.9253 -75.3845 -13.5714 30.5832 -13.5715 11.663 GPRESSAVG: 892600 62.7739 -28.9784 30.8378 -25.8933 -73.5933 -12.5374 28.6302 -12.8061 12.1818 TIMING: 892600 CPU: 2820.69, 0.00313379/step Wall: 2820.69, 0.00313379/step, 3.57549 hours remaining, 234.847656 MB of memory in use. ENERGY: 892600 3938.8638 20329.5160 14468.6841 242.3567 -203592.6848 2891.1747 0.0000 0.0000 52275.2318 -109446.8577 300.4265 -161722.0895 -109076.1833 299.5674 240.8960 265.0571 761242.6476 0.4164 0.4541 PRESSURE: 892800 349.591 -49.3381 32.1393 -49.3382 -223.293 -0.174491 32.1383 -0.173781 -197.691 GPRESSURE: 892800 382.964 -32.4442 80.9113 -85.903 -262.043 15.1724 -152.512 -25.5531 -102.293 PRESSAVG: 892800 58.1957 -17.3169 10.3937 -17.3169 -8.6657 -61.8122 10.3938 -61.8122 -4.35439 GPRESSAVG: 892800 58.621 -17.1829 10.3325 -18.9922 -8.88815 -59.322 12.4955 -63.8574 -4.60555 TIMING: 892800 CPU: 2821.31, 0.0031266/step Wall: 2821.31, 0.0031266/step, 3.5671 hours remaining, 234.847656 MB of memory in use. ENERGY: 892800 4023.1952 20493.7822 14443.1605 232.5391 -203317.2935 2657.9640 0.0000 0.0000 51695.6471 -109771.0054 297.0956 -161466.6525 -109406.6927 298.7122 -23.7977 6.2091 761488.0944 15.0585 15.0424 PRESSURE: 893000 -222.951 -174.11 147.097 -174.11 -0.203999 108.719 147.097 108.72 119.027 GPRESSURE: 893000 -123.227 -121.59 70.961 -158.673 52.5327 32.1679 91.2508 18.8359 58.2539 PRESSAVG: 893000 76.2317 -12.6174 36.164 -12.6174 -104.409 -17.3386 36.164 -17.3385 7.69261 GPRESSAVG: 893000 78.032 -12.1697 35.996 -11.4163 -105.756 -19.0425 35.1137 -16.598 7.03859 TIMING: 893000 CPU: 2821.94, 0.00312198/step Wall: 2821.94, 0.00312198/step, 3.56166 hours remaining, 234.847656 MB of memory in use. ENERGY: 893000 4033.0619 20366.2760 14464.9808 258.1240 -203377.7609 2676.3876 0.0000 0.0000 52088.2830 -109490.6476 299.3521 -161578.9306 -109127.8868 298.7539 -34.7091 -4.1468 762682.3845 -6.8281 -6.8953 PRESSURE: 893200 271.731 2.44269 -286.058 2.4421 267.558 -63.1301 -286.058 -63.1296 -515.155 GPRESSURE: 893200 250.002 29.7509 -289.379 42.0393 307.038 -97.8693 -237.171 12.7635 -462.498 PRESSAVG: 893200 58.6606 -20.9951 61.1673 -20.9951 -54.5223 -14.1843 61.1673 -14.1842 -3.96859 GPRESSAVG: 893200 56.6663 -21.1327 61.1911 -22.6254 -53.0468 -14.6681 62.6295 -13.3104 -4.31276 TIMING: 893200 CPU: 2822.56, 0.00313011/step Wall: 2822.56, 0.00313011/step, 3.57075 hours remaining, 234.847656 MB of memory in use. ENERGY: 893200 4004.4572 20493.5435 14364.8298 238.5212 -203546.7755 2667.5777 0.0000 0.0000 52189.3584 -109588.4877 299.9330 -161777.8461 -109233.0811 299.0563 8.0445 31.5140 760114.5528 0.0566 -0.2311 PRESSURE: 893400 -82.4078 95.1958 165.772 95.1951 -75.2095 -362.854 165.772 -362.853 82.9364 GPRESSURE: 893400 -90.3407 125.31 171.781 139.073 23.4272 -353.661 59.3009 -247.939 66.7779 PRESSAVG: 893400 9.36282 -13.5176 25.8261 -13.5176 -10.9878 -28.6391 25.8261 -28.6391 -1.15894 GPRESSAVG: 893400 10.0044 -12.3066 25.3478 -12.7989 -11.3832 -28.0665 26.269 -31.6527 -1.17728 TIMING: 893400 CPU: 2823.19, 0.00313182/step Wall: 2823.19, 0.00313182/step, 3.57254 hours remaining, 234.847656 MB of memory in use. ENERGY: 893400 4014.1346 20547.7372 14480.4251 242.3553 -203454.7216 2857.2026 0.0000 0.0000 51889.7393 -109423.1275 298.2110 -161312.8668 -109070.0709 299.1912 -24.8936 -0.0452 761516.0642 -0.9280 -0.8520 PRESSURE: 893600 154.291 126.219 -34.0065 126.219 232.066 -88.8486 -34.0063 -88.8488 24.7055 GPRESSURE: 893600 168.138 142.95 36.9376 130.116 259.705 -81.6474 84.6322 -156.685 51.4049 PRESSAVG: 893600 -26.8323 4.21881 -4.04987 4.21888 24.977 -55.8044 -4.04987 -55.8044 12.6699 GPRESSAVG: 893600 -26.8966 5.34897 -2.91877 3.2225 24.9466 -56.6647 -4.85363 -53.2425 12.9281 TIMING: 893600 CPU: 2823.82, 0.00315139/step Wall: 2823.82, 0.00315139/step, 3.59468 hours remaining, 234.847656 MB of memory in use. ENERGY: 893600 3913.6325 20656.4998 14427.0178 254.6073 -203428.7153 2699.3675 0.0000 0.0000 52058.4694 -109419.1211 299.1807 -161477.5905 -109049.9394 298.9287 137.0207 159.7493 760601.2055 3.6049 3.6594 PRESSURE: 893800 -39.2107 -27.1823 125.192 -27.1822 276.985 -109.164 125.192 -109.165 402.488 GPRESSURE: 893800 -51.1937 -23.018 53.1528 10.6606 305.872 -102.26 -100.676 -204.693 452.409 PRESSAVG: 893800 -10.3322 59.3397 19.9863 59.3397 1.19012 -22.5594 19.9863 -22.5594 10.7507 GPRESSAVG: 893800 -11.0516 56.7828 19.9167 60.3995 0.252115 -23.3133 18.3597 -22.7172 12.2574 TIMING: 893800 CPU: 2824.44, 0.0031022/step Wall: 2824.44, 0.0031022/step, 3.5384 hours remaining, 234.847656 MB of memory in use. ENERGY: 893800 4039.0477 20428.9498 14484.4813 254.5273 -203340.2556 2612.6352 0.0000 0.0000 51959.4977 -109561.1167 298.6119 -161520.6144 -109194.7572 299.2456 213.4209 235.6956 759974.0796 0.5362 0.4859 PRESSURE: 894000 436.268 -27.8769 65.0314 -27.8782 126.393 -236.602 65.0314 -236.602 -400.012 GPRESSURE: 894000 518.539 -121.31 19.182 25.2416 76.403 -156.656 137.358 -256.296 -327.989 PRESSAVG: 894000 17.4137 13.1236 -10.954 13.1236 15.8189 -22.0146 -10.9539 -22.0146 37.1699 GPRESSAVG: 894000 18.4085 13.8165 -11.9255 11.6008 16.9641 -21.8373 -10.4389 -21.0569 35.5537 TIMING: 894000 CPU: 2825.07, 0.00313392/step Wall: 2825.07, 0.00313392/step, 3.57442 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: 894000 4006.0557 20414.2637 14410.9359 251.0730 -204054.6332 2863.0447 0.0000 0.0000 52343.3479 -109765.9123 300.8179 -162109.2602 -109401.2630 298.8346 54.2162 88.9840 759821.7266 23.4675 23.6421 PRESSURE: 894200 208.099 21.1637 -3.04239 21.1625 111.78 61.8268 -3.04251 61.8274 212.245 GPRESSURE: 894200 183.16 -54.8109 7.61426 -43.2132 142.501 55.2119 18.3512 166.714 275.518 PRESSAVG: 894200 -8.93329 1.70393 34.8569 1.7039 5.35787 1.21148 34.8569 1.2115 -23.7347 GPRESSAVG: 894200 -7.6968 0.997978 33.223 1.87397 3.01098 1.52754 35.2121 1.42276 -23.6177 TIMING: 894200 CPU: 2825.7, 0.0031506/step Wall: 2825.7, 0.0031506/step, 3.59326 hours remaining, 234.847656 MB of memory in use. ENERGY: 894200 3986.5161 20501.1532 14461.2018 253.4674 -203926.2555 2793.5196 0.0000 0.0000 52073.7124 -109856.6851 299.2683 -161930.3975 -109497.6003 298.6010 177.3743 200.3931 759851.5319 -9.1034 -9.4345 PRESSURE: 894400 -37.8507 -30.2103 -46.9528 -30.2111 -112.081 -1.76399 -46.9529 -1.76392 120.422 GPRESSURE: 894400 -37.0887 -14.3436 -51.8672 -37.7932 -12.1194 65.1191 -68.3053 -182.043 105.915 PRESSAVG: 894400 -42.4261 14.8479 23.9144 14.848 14.8455 -43.3269 23.9144 -43.3269 23.2875 GPRESSAVG: 894400 -44.191 16.5539 23.8028 14.8619 16.7636 -40.932 24.2115 -45.0676 23.4386 TIMING: 894400 CPU: 2826.33, 0.00314695/step Wall: 2826.33, 0.00314695/step, 3.58893 hours remaining, 234.847656 MB of memory in use. ENERGY: 894400 4018.7071 20483.5230 14440.0549 257.4139 -203437.2597 2624.2122 0.0000 0.0000 51737.8167 -109875.5319 297.3379 -161613.3487 -109510.9882 298.1477 -9.8366 18.9024 762809.0364 -1.4310 -1.3296 PRESSURE: 894600 106.311 -40.1838 48.2061 -40.1838 337.425 -141.991 48.2054 -141.991 425.062 GPRESSURE: 894600 204.751 1.20666 -33.1986 56.4356 367.551 -173.85 100.577 -138.986 396.462 PRESSAVG: 894600 29.2509 23.7951 -23.585 23.795 -4.76348 -46.0083 -23.585 -46.0083 -6.21399 GPRESSAVG: 894600 29.297 21.6832 -23.0767 26.1445 -4.96663 -47.2402 -22.5251 -44.8715 -6.20118 TIMING: 894600 CPU: 2826.95, 0.00312406/step Wall: 2826.95, 0.00312406/step, 3.56265 hours remaining, 234.847656 MB of memory in use. ENERGY: 894600 3977.7454 20480.9701 14486.4284 248.5613 -203718.6914 2938.4888 0.0000 0.0000 51907.4351 -109679.0624 298.3127 -161586.4975 -109315.2319 298.6469 289.5991 322.9211 759690.2640 6.0912 6.0431 PRESSURE: 894800 -44.3871 17.4761 102.619 17.476 409.869 -92.0661 102.62 -92.0649 -101.572 GPRESSURE: 894800 41.6141 11.3519 136.141 -8.56556 362.226 -151.201 1.22915 -67.009 -73.0179 PRESSAVG: 894800 8.05365 32.7083 39.3303 32.7084 -9.0501 -40.2867 39.3303 -40.2867 20.1067 GPRESSAVG: 894800 8.0847 34.0622 40.1952 29.8807 -8.73459 -41.7206 39.6052 -39.7332 19.9892 TIMING: 894800 CPU: 2827.58, 0.00314555/step Wall: 2827.58, 0.00314555/step, 3.58698 hours remaining, 234.847656 MB of memory in use. ENERGY: 894800 3961.8861 20509.1477 14431.4447 258.7633 -203538.2098 2740.2502 0.0000 0.0000 51785.6256 -109851.0923 297.6127 -161636.7178 -109500.5671 298.8531 87.9699 110.2739 760208.9088 6.3701 6.4464 PRESSURE: 895000 -359.071 -197.424 -200.228 -197.425 11.4787 12.7052 -200.228 12.7048 -203.408 GPRESSURE: 895000 -343.624 -180.014 -271.942 -179.847 83.9287 24.1284 -155.042 -0.262127 -200.912 PRESSAVG: 895000 68.3121 47.1348 13.1543 47.1348 -45.8618 14.0865 13.1543 14.0865 -31.6184 GPRESSAVG: 895000 69.5515 47.9276 14.2021 46.348 -45.4637 16.2345 8.85816 14.5063 -32.9213 TIMING: 895000 CPU: 2828.21, 0.00314653/step Wall: 2828.21, 0.00314653/step, 3.58792 hours remaining, 234.847656 MB of memory in use. ENERGY: 895000 3986.0757 20630.8360 14369.0657 236.3063 -203699.1857 2785.0950 0.0000 0.0000 51810.9884 -109880.8186 297.7585 -161691.8069 -109525.6868 298.1251 -183.6667 -153.5357 760106.6021 -3.0560 -2.9445 PRESSURE: 895200 -191.662 -29.8683 98.1731 -29.868 -7.62581 -68.2554 98.1737 -68.2553 179.58 GPRESSURE: 895200 -97.2595 -37.5885 167.303 69.7961 75.08 -63.0536 68.9011 3.90696 82.7167 PRESSAVG: 895200 -6.91533 -15.2725 49.6316 -15.2725 -34.3511 21.1449 49.6316 21.1449 -2.17264 GPRESSAVG: 895200 -8.212 -16.4195 46.2941 -14.5142 -34.7442 20.1441 52.3848 19.0146 -0.346177 TIMING: 895200 CPU: 2828.84, 0.00313659/step Wall: 2828.84, 0.00313659/step, 3.57641 hours remaining, 234.847656 MB of memory in use. ENERGY: 895200 3930.7446 20471.2341 14378.5453 233.1992 -203672.3759 2776.8657 0.0000 0.0000 52064.4805 -109817.3063 299.2153 -161881.7869 -109442.2230 298.3071 -6.5691 20.1791 760932.4432 -14.4797 -14.4341 PRESSURE: 895400 251.054 -135.171 -72.576 -135.17 371.126 49.7892 -72.5745 49.7896 527.264 GPRESSURE: 895400 286.143 -111.931 -62.6438 -90.1588 394.75 89.6681 33.9428 19.8713 551.009 PRESSAVG: 895400 20.6571 3.37296 71.8534 3.3729 -16.5764 -2.54246 71.8534 -2.54246 -5.70367 GPRESSAVG: 895400 19.8553 4.50614 75.8263 4.70855 -16.8045 -3.0063 72.3596 -1.12114 -4.60373 TIMING: 895400 CPU: 2829.46, 0.00313649/step Wall: 2829.46, 0.00313649/step, 3.57612 hours remaining, 234.847656 MB of memory in use. ENERGY: 895400 4025.9668 20498.7421 14392.8861 252.8609 -203952.1369 2951.9425 0.0000 0.0000 52120.1894 -109709.5490 299.5354 -161829.7384 -109346.6052 298.4810 383.1480 410.6338 760680.4168 -0.5410 -0.5176 PRESSURE: 895600 -413.585 136.188 -50.9332 136.188 -93.6926 -15.8971 -50.9324 -15.8951 111.975 GPRESSURE: 895600 -292.374 181.666 -59.4196 57.7775 -88.9332 -110.541 -188.364 39.3576 73.0471 PRESSAVG: 895600 -22.6184 -51.024 26.3464 -51.024 -1.43825 4.2601 26.3465 4.26015 24.2231 GPRESSAVG: 895600 -20.916 -50.109 23.7882 -55.3081 -1.39034 4.07132 26.4641 6.43591 23.1116 TIMING: 895600 CPU: 2830.09, 0.00314313/step Wall: 2830.09, 0.00314313/step, 3.58352 hours remaining, 234.847656 MB of memory in use. ENERGY: 895600 4053.0692 20664.8985 14380.6657 246.1029 -203703.8237 2697.2931 0.0000 0.0000 52031.8603 -109629.9340 299.0278 -161661.7943 -109262.5156 299.2288 -131.7674 -102.7535 761178.7054 0.0555 0.2684 PRESSURE: 895800 80.9198 -20.8045 42.5325 -20.8043 260.572 -148.417 42.5328 -148.417 -114.383 GPRESSURE: 895800 230.953 -25.1213 18.8109 -60.3685 193.428 -176.858 204.289 -100.141 -104.45 PRESSAVG: 895800 12.0706 5.77435 -17.2565 5.7743 -9.17712 -18.555 -17.2565 -18.555 -20.3916 GPRESSAVG: 895800 12.2712 5.9052 -16.699 8.6162 -9.88173 -18.4043 -16.5575 -18.8843 -19.932 TIMING: 895800 CPU: 2830.72, 0.0031198/step Wall: 2830.72, 0.0031198/step, 3.55675 hours remaining, 234.847656 MB of memory in use. ENERGY: 895800 4038.2094 20542.0981 14401.3897 250.0164 -203825.1534 2919.9257 0.0000 0.0000 52013.1028 -109660.4114 298.9200 -161673.5142 -109299.8765 298.6467 75.7030 106.6438 760929.4603 -5.8327 -5.8475 PRESSURE: 896000 0.438297 99.2362 -25.6393 99.2371 -161.982 153.183 -25.6381 153.184 -57.0494 GPRESSURE: 896000 47.2977 207.164 -112.169 -55.5068 -107.068 23.8822 54.4182 223.111 -90.8375 PRESSAVG: 896000 -25.1299 -9.76361 -10.207 -9.7637 40.9076 -39.2053 -10.207 -39.2053 19.5402 GPRESSAVG: 896000 -26.6536 -11.5639 -11.6306 -10.4083 42.3919 -40.0966 -10.9142 -40.3094 19.4981 TIMING: 896000 CPU: 2831.35, 0.00315181/step Wall: 2831.35, 0.00315181/step, 3.59307 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: 896000 4008.4827 20661.8139 14408.8224 251.6545 -203506.9677 2716.2142 0.0000 0.0000 51943.7326 -109516.2474 298.5213 -161459.9800 -109167.7294 298.9798 -72.8642 -50.2026 762456.5724 11.7726 11.7455 PRESSURE: 896200 -100.875 -148.334 -90.8486 -148.334 -61.413 7.1049 -90.848 7.1058 -156.838 GPRESSURE: 896200 -125.662 -46.2997 -70.7999 -223.764 -87.5311 -54.3877 -54.2138 1.19535 -12.2586 PRESSAVG: 896200 67.1643 -3.27072 30.7353 -3.27072 -54.3887 -31.5242 30.7353 -31.5241 27.1342 GPRESSAVG: 896200 69.2137 -3.37388 31.3584 -3.40756 -55.6858 -30.5321 29.0996 -33.0983 26.0803 TIMING: 896200 CPU: 2831.98, 0.00316376/step Wall: 2831.98, 0.00316376/step, 3.60651 hours remaining, 234.847656 MB of memory in use. ENERGY: 896200 4066.1217 20475.9617 14484.8092 270.3993 -203363.7773 2565.6106 0.0000 0.0000 52106.8540 -109394.0207 299.4588 -161500.8747 -109035.6280 299.2195 -106.3754 -75.1505 761878.8815 13.3033 13.2027 LDB: ============= START OF LOAD BALANCING ============== 2844.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2844.51 LDB: =============== DONE WITH MIGRATION ================ 2844.52 LDB: ============= START OF LOAD BALANCING ============== 2844.83 LDB: Largest compute 7031 load 0.029857 is 15.3% of average load 0.195323 LDB: Average compute 0.004381 is 2.2% of average load 0.195323 LDB: TIME 2844.84 LOAD: AVG 0.195323 MAX 0.217328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 2844.84 LOAD: AVG 0.195323 MAX 0.217328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.949 MB LDB: TIME 2844.84 LOAD: AVG 0.195323 MAX 0.217328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.949 MB LDB: ============== END OF LOAD BALANCING =============== 2844.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2844.84 PRESSURE: 896400 -162.315 -25.3086 -63.5891 -25.3083 -51.6629 -166.415 -63.5893 -166.416 -339.276 GPRESSURE: 896400 -91.5893 -37.2786 -64.9615 47.1694 -129.103 -200.58 -70.317 -237.438 -246.73 PRESSAVG: 896400 48.914 1.34269 -10.2652 1.3427 -27.5369 -59.5078 -10.2651 -59.5078 -5.13618 GPRESSAVG: 896400 50.149 2.55793 -9.1593 3.56971 -28.3808 -58.461 -10.1694 -56.4436 -5.72649 TIMING: 896400 CPU: 2832.63, 0.00323551/step Wall: 2832.63, 0.00323551/step, 3.68812 hours remaining, 232.984375 MB of memory in use. ENERGY: 896400 4024.5775 20529.1258 14466.6637 254.2161 -203505.9445 2670.7445 0.0000 0.0000 52090.3259 -109470.2911 299.3638 -161560.6170 -109112.7180 298.8348 -184.4178 -155.8073 760137.0395 5.4136 5.3472 PRESSURE: 896600 116.368 65.0578 -154.128 65.0583 361.886 56.3236 -154.127 56.323 140.641 GPRESSURE: 896600 77.3531 63.8964 -35.0859 -74.5792 373.811 31.4498 -158.824 148.171 254.935 PRESSAVG: 896600 5.58709 -14.0306 5.065 -14.0306 -40.8411 8.24498 5.06498 8.24493 8.60434 GPRESSAVG: 896600 3.84207 -16.379 5.14825 -14.8 -40.11 6.97821 6.4115 5.62755 9.70098 TIMING: 896600 CPU: 2833.26, 0.00316507/step Wall: 2833.26, 0.00316507/step, 3.60765 hours remaining, 232.996094 MB of memory in use. ENERGY: 896600 3940.7189 20452.9147 14388.1269 249.5002 -203672.8983 3026.7255 0.0000 0.0000 51970.4385 -109644.4736 298.6748 -161614.9121 -109282.2792 299.0601 206.2984 235.3662 762193.8546 -8.8832 -8.8557 PRESSURE: 896800 -421.718 18.5203 103.37 18.5205 269.453 74.2216 103.371 74.2217 1.40342 GPRESSURE: 896800 -303.856 35.874 146.121 61.1678 214.202 -11.7761 63.7177 83.3642 13.8683 PRESSAVG: 896800 -10.3766 -27.6241 -14.6665 -27.6241 13.9011 25.4057 -14.6665 25.4058 2.43717 GPRESSAVG: 896800 -10.8835 -23.6962 -15.4293 -27.5065 13.0073 24.9107 -14.805 26.9685 3.36609 TIMING: 896800 CPU: 2833.89, 0.00313084/step Wall: 2833.89, 0.00313084/step, 3.56846 hours remaining, 232.996094 MB of memory in use. ENERGY: 896800 4013.9542 20400.8838 14404.4570 247.5397 -203221.9112 2444.2942 0.0000 0.0000 52000.5692 -109710.2132 298.8480 -161710.7823 -109338.0238 298.6501 -50.2869 -25.2618 762709.4639 1.9872 1.8300 PRESSURE: 897000 -71.5618 -42.5567 198.421 -42.5559 107.581 -12.8301 198.421 -12.8295 -65.3085 GPRESSURE: 897000 -76.6723 -60.0312 196.362 20.7087 112.162 -29.5571 185.05 103.785 2.02406 PRESSAVG: 897000 30.4849 33.9001 11.7805 33.9001 -42.6159 -8.32481 11.7806 -8.32474 6.36543 GPRESSAVG: 897000 31.002 30.8555 11.4125 33.539 -42.2608 -8.33417 10.8987 -6.79753 5.40072 TIMING: 897000 CPU: 2834.52, 0.00314259/step Wall: 2834.52, 0.00314259/step, 3.58168 hours remaining, 232.996094 MB of memory in use. ENERGY: 897000 3961.7304 20578.7366 14458.6473 246.2679 -203481.9517 2762.9481 0.0000 0.0000 51657.6967 -109815.9246 296.8775 -161473.6213 -109470.0376 298.3977 -9.7631 12.5047 761840.1593 -1.9219 -1.9527 PRESSURE: 897200 151.246 167.097 365.905 167.098 -46.963 -93.6783 365.906 -93.6786 -185.281 GPRESSURE: 897200 115.744 246.294 396.903 247.111 -15.1788 -81.1648 265.067 -204.912 -98.9901 PRESSAVG: 897200 -14.0057 13.5089 -19.7215 13.5089 -25.205 -59.4082 -19.7214 -59.4082 10.7602 GPRESSAVG: 897200 -13.4806 14.4357 -17.0482 14.3799 -25.8049 -58.1156 -17.3467 -59.0701 10.5601 TIMING: 897200 CPU: 2835.15, 0.00315292/step Wall: 2835.15, 0.00315292/step, 3.59327 hours remaining, 232.996094 MB of memory in use. ENERGY: 897200 3961.4690 20520.5834 14461.2572 265.8340 -203180.6745 2401.9444 0.0000 0.0000 52026.0882 -109543.4983 298.9946 -161569.5865 -109186.2466 298.6780 -26.9993 0.5250 762683.2074 -9.4835 -9.5751 PRESSURE: 897400 -111 -87.9779 76.4053 -87.9771 -340.236 -63.887 76.4054 -63.8871 -97.985 GPRESSURE: 897400 -43.5685 -21.4961 90.4562 -13.1112 -320.938 32.0377 66.5798 -45.6251 -102.888 PRESSAVG: 897400 10.5148 -46.1252 2.75676 -46.1251 -9.17606 46.2895 2.75678 46.2895 -16.2981 GPRESSAVG: 897400 10.2048 -45.8265 1.17326 -46.1197 -9.09703 46.5245 0.15527 44.6529 -16.5948 TIMING: 897400 CPU: 2835.77, 0.00313333/step Wall: 2835.77, 0.00313333/step, 3.57078 hours remaining, 232.996094 MB of memory in use. ENERGY: 897400 3986.7993 20455.4326 14407.9518 265.3269 -203810.5840 2806.2730 0.0000 0.0000 52203.8456 -109684.9548 300.0162 -161888.8004 -109321.2941 298.7313 -183.0734 -155.7981 762589.1796 -4.9864 -5.1624 PRESSURE: 897600 -111.517 110.345 41.2272 110.345 -146.895 132.108 41.2272 132.107 -26.8566 GPRESSURE: 897600 -66.2892 135.876 67.1733 83.0352 -115.514 86.4302 85.5766 260.963 -18.1733 PRESSAVG: 897600 64.4249 1.47477 58.5544 1.47477 -36.0989 30.8962 58.5543 30.8963 16.2226 GPRESSAVG: 897600 62.8688 2.76621 57.8912 1.05484 -34.6866 30.0473 59.5899 30.2518 16.471 TIMING: 897600 CPU: 2836.4, 0.00312653/step Wall: 2836.4, 0.00312653/step, 3.56285 hours remaining, 232.996094 MB of memory in use. ENERGY: 897600 3971.3606 20571.9238 14466.2680 251.9131 -203511.1073 2790.8778 0.0000 0.0000 51769.6801 -109689.0839 297.5211 -161458.7640 -109326.1708 299.2342 -95.0894 -66.6587 762733.6066 14.8495 14.8844 PRESSURE: 897800 17.7941 -7.39244 259.563 -7.39245 7.61381 -195.203 259.562 -195.203 228.984 GPRESSURE: 897800 60.4545 -21.372 203.031 20.5381 52.2131 -141.214 265.362 -181.015 235.136 PRESSAVG: 897800 52.9982 48.0685 51.6073 48.0685 -28.4376 -26.0247 51.6073 -26.0248 -12.0549 GPRESSAVG: 897800 54.036 47.4467 51.5034 48.8236 -28.4539 -24.0847 51.9446 -23.6287 -12.781 TIMING: 897800 CPU: 2837.02, 0.00312194/step Wall: 2837.02, 0.00312194/step, 3.55745 hours remaining, 232.996094 MB of memory in use. ENERGY: 897800 3926.2094 20545.9280 14415.1628 253.5562 -203609.7304 2629.8785 0.0000 0.0000 51947.7263 -109891.2692 298.5443 -161838.9955 -109521.0612 298.7496 84.7972 115.9344 761984.1777 4.1686 4.2670 PRESSURE: 898000 -71.1908 105.654 42.6988 105.655 175.048 186.715 42.6982 186.715 -106.196 GPRESSURE: 898000 -84.9056 50.0666 60.8235 92.7668 194.472 134.674 -25.2772 207.794 -44.8055 PRESSAVG: 898000 -13.1583 36.9431 4.39458 36.943 4.02808 -55.2472 4.39456 -55.2472 3.91138 GPRESSAVG: 898000 -13.0571 37.9914 4.39229 34.8631 2.32912 -57.781 3.55577 -57.4758 5.07075 TIMING: 898000 CPU: 2837.66, 0.00319233/step Wall: 2837.66, 0.00319233/step, 3.63748 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: 898000 3904.6654 20568.6367 14425.3764 244.4232 -203647.0696 2843.2037 0.0000 0.0000 51819.6776 -109841.0867 297.8084 -161660.7643 -109470.9832 298.4617 -0.7799 21.5870 763163.0556 -1.7396 -1.8857 PRESSURE: 898200 -13.257 -140.019 -114.388 -140.019 183.872 129.31 -114.39 129.309 -94.1697 GPRESSURE: 898200 38.326 -203.813 -99.618 -18.5354 279.652 144.318 -143.801 55.04 -145.428 PRESSAVG: 898200 44.5915 49.6393 0.309945 49.6393 -21.071 38.6241 0.309926 38.624 1.67813 GPRESSAVG: 898200 45.682 47.516 -0.24395 52.0536 -21.8682 39.3187 0.0306006 38.8597 1.28399 TIMING: 898200 CPU: 2838.3, 0.00318175/step Wall: 2838.3, 0.00318175/step, 3.62525 hours remaining, 232.996094 MB of memory in use. ENERGY: 898200 3956.8441 20574.5488 14498.7037 266.2033 -203936.4512 2897.2019 0.0000 0.0000 52031.7731 -109711.1763 299.0273 -161742.9494 -109357.9802 298.6564 25.4816 57.5167 761475.7073 8.3996 8.3659 PRESSURE: 898400 -134.844 -97.4396 -175.174 -97.4394 -374.655 -164.694 -175.174 -164.694 69.147 GPRESSURE: 898400 -107.084 21.368 -203.933 -93.8244 -272.792 -70.3171 -162.616 -117.506 50.9933 PRESSAVG: 898400 -40.1826 6.80047 10.8686 6.8005 3.05933 5.74513 10.8685 5.74516 -2.76184 GPRESSAVG: 898400 -41.882 7.05804 12.4974 7.28162 5.64711 7.25352 10.3488 8.58758 -2.91701 TIMING: 898400 CPU: 2838.93, 0.00315652/step Wall: 2838.93, 0.00315652/step, 3.59632 hours remaining, 232.996094 MB of memory in use. ENERGY: 898400 4005.7625 20640.1573 14458.1088 232.6562 -202992.6215 2352.3898 0.0000 0.0000 51890.2634 -109413.2835 298.2141 -161303.5469 -109055.1216 299.0467 -146.7840 -109.6274 763872.5648 -13.2950 -13.0506 PRESSURE: 898600 264.425 -37.2247 213.868 -37.2248 129.588 -203.873 213.868 -203.873 291.424 GPRESSURE: 898600 321.442 -18.2167 258.73 -51.3872 144.633 -177.261 102.232 -230.588 307.847 PRESSAVG: 898600 3.28839 44.1138 15.8518 44.1138 20.9155 9.02045 15.8518 9.02055 6.61867 GPRESSAVG: 898600 2.65144 41.4504 14.8191 41.6403 21.1869 9.46387 16.6223 5.39888 6.87981 TIMING: 898600 CPU: 2839.56, 0.00317887/step Wall: 2839.56, 0.00317887/step, 3.62162 hours remaining, 232.996094 MB of memory in use. ENERGY: 898600 3912.5933 20445.9322 14449.4643 244.9022 -203544.8652 2934.1671 0.0000 0.0000 52008.8623 -109548.9437 298.8956 -161557.8060 -109176.3729 298.7688 228.4788 257.9740 762859.0880 10.2742 10.2394 PRESSURE: 898800 21.7431 36.0912 -153.795 36.0906 -507.126 55.0789 -153.795 55.0786 530.461 GPRESSURE: 898800 58.5857 101.168 -164.173 57.1476 -402.242 93.6137 -181.324 -30.0872 484.167 PRESSAVG: 898800 3.33159 32.0321 6.38647 32.0322 -19.2599 -55.9294 6.38653 -55.9294 -9.51671 GPRESSAVG: 898800 4.34705 35.2903 8.19395 30.8836 -19.9331 -57.8788 5.18684 -54.9302 -9.93652 TIMING: 898800 CPU: 2840.2, 0.00319098/step Wall: 2840.2, 0.00319098/step, 3.63524 hours remaining, 232.996094 MB of memory in use. ENERGY: 898800 3982.5799 20438.8581 14417.6003 248.1302 -203270.9599 2643.9398 0.0000 0.0000 51708.6158 -109831.2358 297.1701 -161539.8516 -109474.2202 298.5398 15.0261 46.8371 762933.2735 -8.4817 -8.5075 PRESSURE: 899000 99.3397 49.6243 162.787 49.6245 -77.6964 49.1665 162.788 49.1667 -273.625 GPRESSURE: 899000 78.3996 96.0567 195.637 1.45642 -9.0683 26.5038 75.0416 -36.4108 -250.351 PRESSAVG: 899000 61.0622 99.8559 -49.0931 99.8558 -62.0176 -15.6739 -49.0931 -15.6739 24.8521 GPRESSAVG: 899000 59.9576 100.068 -49.6412 102.448 -61.4734 -15.152 -48.878 -11.7268 24.908 TIMING: 899000 CPU: 2840.83, 0.00313895/step Wall: 2840.83, 0.00313895/step, 3.57578 hours remaining, 232.984375 MB of memory in use. ENERGY: 899000 3949.3784 20523.1006 14349.6229 253.7034 -203341.9909 2603.4101 0.0000 0.0000 52003.4448 -109659.3307 298.8645 -161662.7754 -109299.4509 297.8684 -83.9940 -60.3400 763421.9258 7.9656 7.7974 PRESSURE: 899200 273.099 55.0308 -58.5784 55.03 -54.4579 -136.578 -58.5781 -136.578 182.187 GPRESSURE: 899200 344.888 -28.7906 -57.0198 81.1257 -41.5047 -274.765 -35.1428 21.473 176.738 PRESSAVG: 899200 -2.63526 -3.45488 19.5188 -3.45487 -0.783336 42.1061 19.5188 42.1062 4.33283 GPRESSAVG: 899200 -1.43409 -5.06367 17.2233 -2.59231 -1.65786 42.2291 21.5869 41.8147 3.86771 TIMING: 899200 CPU: 2841.46, 0.00316463/step Wall: 2841.46, 0.00316463/step, 3.60487 hours remaining, 232.984375 MB of memory in use. ENERGY: 899200 3968.5169 20636.7074 14357.9411 253.7918 -203488.5820 2760.0658 0.0000 0.0000 51842.2552 -109669.3039 297.9382 -161511.5591 -109315.5157 298.5279 133.6094 160.0403 763546.4639 0.3047 0.2586 PRESSURE: 899400 -40.6505 14.7441 -0.95607 14.7443 -170.209 -241.558 -0.955599 -241.559 -49.3785 GPRESSURE: 899400 -22.8298 6.67376 -35.5353 15.986 -165.554 -241.74 70.581 -151.939 9.62 PRESSAVG: 899400 41.1911 -4.22552 -6.02825 -4.22548 -43.1552 55.5976 -6.02826 55.5975 1.10686 GPRESSAVG: 899400 40.7244 -3.9161 -5.73614 -6.09338 -41.7776 57.8042 -6.4479 51.523 0.701563 TIMING: 899400 CPU: 2842.1, 0.00317595/step Wall: 2842.1, 0.00317595/step, 3.61759 hours remaining, 232.984375 MB of memory in use. ENERGY: 899400 4064.8524 20537.4416 14425.4282 235.8484 -202957.7451 2597.5774 0.0000 0.0000 51572.4192 -109524.1780 296.3874 -161096.5972 -109159.9982 298.8063 -86.7461 -59.5879 762782.6676 -0.2857 -0.1172 PRESSURE: 899600 373.562 -133.539 -168.696 -133.538 -426.85 -242.449 -168.696 -242.45 -92.4663 GPRESSURE: 899600 356.919 4.64778 -185.19 -59.1079 -342.792 -189.647 -167.913 -232.776 -76.0018 PRESSAVG: 899600 -5.81618 20.3028 -31.876 20.3028 -33.0426 -8.25094 -31.876 -8.2509 -7.23392 GPRESSAVG: 899600 -6.80723 22.2351 -31.4632 20.2285 -33.7839 -7.80662 -30.0793 -7.33059 -5.92834 TIMING: 899600 CPU: 2842.73, 0.00318245/step Wall: 2842.73, 0.00318245/step, 3.62481 hours remaining, 232.996094 MB of memory in use. ENERGY: 899600 3979.5000 20629.6801 14425.1903 258.6423 -203483.8720 2773.9368 0.0000 0.0000 52056.6090 -109360.3136 299.1700 -161416.9226 -109003.2647 298.9260 -48.5846 -20.6250 763140.2021 -15.3642 -15.5065 PRESSURE: 899800 -208.294 -406.617 -378.218 -406.617 47.3655 137.756 -378.218 137.757 -249.168 GPRESSURE: 899800 -196.48 -416.501 -382.334 -463.814 50.5102 131.661 -204.168 44.7126 -185.038 PRESSAVG: 899800 -58.4563 24.8075 -52.1133 24.8075 36.5079 -10.9792 -52.1133 -10.9791 1.2337 GPRESSAVG: 899800 -57.93 22.523 -50.3277 23.4568 36.7185 -13.0972 -53.7718 -11.1987 0.720839 TIMING: 899800 CPU: 2843.37, 0.00316108/step Wall: 2843.37, 0.00316108/step, 3.6003 hours remaining, 232.996094 MB of memory in use. ENERGY: 899800 3891.2157 20485.5721 14365.5538 247.5914 -203378.5552 2760.6543 0.0000 0.0000 52341.6763 -109286.2916 300.8083 -161627.9679 -108925.6520 299.6072 -136.6991 -110.3361 762489.0094 -6.9049 -6.8302 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.014 seconds, 232.996 MB of memory in use PRESSURE: 900000 -9.64784 66.5464 34.5962 66.5453 -343.961 81.9621 34.5959 81.9616 -251.083 GPRESSURE: 900000 -11.4918 26.6847 44.9326 74.5372 -270.237 64.2858 27.6367 114.411 -242.361 PRESSAVG: 900000 -28.4016 15.3569 -13.2036 15.3569 40.1579 39.1436 -13.2036 39.1436 23.2014 GPRESSAVG: 900000 -28.5235 16.9749 -14.0029 17.2604 39.7999 40.228 -12.8637 38.7268 23.5144 TIMING: 900000 CPU: 2844.02, 0.00325871/step Wall: 2844.02, 0.00325871/step, 3.71131 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: 900000 4048.9016 20605.0472 14424.9616 261.2244 -203244.9850 2566.4254 0.0000 0.0000 52184.9003 -109153.5244 299.9073 -161338.4247 -108794.4809 299.5732 -201.5642 -174.6967 761244.2563 11.6526 11.5969 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 133.785 22.4001 -83.5496 22.4 239.096 -228.341 -83.5496 -228.34 -63.6709 GPRESSURE: 900200 284.419 -33.6587 -152.254 111.125 129.306 -294.423 -260.329 -155.939 -31.7084 PRESSAVG: 900200 47.1387 6.64744 -38.3699 6.64744 -16.3272 -33.8247 -38.3698 -33.8245 7.23836 GPRESSAVG: 900200 48.3065 6.02046 -41.6923 8.61167 -16.798 -34.7289 -37.0682 -33.0445 6.47566 TIMING: 900200 CPU: 2844.66, 0.00321342/step Wall: 2844.66, 0.00321342/step, 3.65955 hours remaining, 232.996094 MB of memory in use. ENERGY: 900200 4019.2832 20511.4262 14514.0399 230.3942 -203367.7742 2803.9994 0.0000 0.0000 52071.0880 -109217.5433 299.2533 -161288.6313 -108865.5698 300.0217 103.0701 127.3389 762005.7484 12.6833 12.6614 LDB: ============= START OF LOAD BALANCING ============== 2857.19 LDB: ============== END OF LOAD BALANCING =============== 2857.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2857.2 LDB: ============= START OF LOAD BALANCING ============== 2857.51 LDB: Largest compute 7058 load 0.031697 is 16.2% of average load 0.195377 LDB: Average compute 0.004387 is 2.2% of average load 0.195377 LDB: TIME 2857.52 LOAD: AVG 0.195377 MAX 0.215859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.531 MB LDB: TIME 2857.52 LOAD: AVG 0.195377 MAX 0.215859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.531 MB LDB: TIME 2857.52 LOAD: AVG 0.195377 MAX 0.215859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.531 MB LDB: ============== END OF LOAD BALANCING =============== 2857.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2857.52 PRESSURE: 900400 -117.462 60.0414 174.769 60.0415 17.3769 -81.9572 174.77 -81.9574 -29.7527 GPRESSURE: 900400 -97.9507 133.315 97.4971 56.0748 66.0781 -43.1952 201.944 5.26065 -5.09774 PRESSAVG: 900400 8.90134 29.4942 -4.20012 29.4942 4.82778 -59.7249 -4.20004 -59.7248 -3.49225 GPRESSAVG: 900400 9.97422 30.6007 -0.229256 27.5346 4.38136 -59.6796 -6.58696 -59.615 -4.05521 TIMING: 900400 CPU: 2845.31, 0.00322631/step Wall: 2845.31, 0.00322631/step, 3.67405 hours remaining, 232.722656 MB of memory in use. ENERGY: 900400 4027.3295 20560.5442 14497.9640 241.2346 -202939.0653 2658.3072 0.0000 0.0000 52015.6188 -108938.0670 298.9345 -160953.6859 -108586.2798 300.0984 -43.2792 -12.3234 762620.2184 3.4123 3.4335 PRESSURE: 900600 220.088 200.681 -99.319 200.681 36.6329 -43.3694 -99.319 -43.368 91.0799 GPRESSURE: 900600 259.028 217.621 -81.6345 133.766 89.8122 -63.5836 57.1854 -58.2199 105.513 PRESSAVG: 900600 15.1749 47.8698 -58.5698 47.8699 2.96806 -46.6204 -58.5698 -46.6203 -8.07472 GPRESSAVG: 900600 13.3902 46.0914 -57.2365 48.6405 3.46898 -45.7995 -60.5985 -46.4881 -6.36184 TIMING: 900600 CPU: 2845.94, 0.00315286/step Wall: 2845.94, 0.00315286/step, 3.59023 hours remaining, 232.925781 MB of memory in use. ENERGY: 900600 4016.8399 20698.7432 14452.5886 255.5203 -203116.2467 2795.9715 0.0000 0.0000 52287.5887 -108608.9945 300.4975 -160896.5831 -108266.3367 300.2411 115.9336 151.4511 761484.8762 3.3561 3.4991 PRESSURE: 900800 -266.252 150.873 55.9209 150.873 -384.878 61.3575 55.9213 61.3576 -242.386 GPRESSURE: 900800 -141.544 194.225 90.701 113.326 -426.179 56.3849 -35.827 43.8241 -243.669 PRESSAVG: 900800 -62.1216 5.27559 3.06364 5.27556 -7.44473 1.19371 3.06361 1.19362 0.00024541 GPRESSAVG: 900800 -61.1408 7.60018 1.53775 3.9573 -7.31488 0.502649 7.10801 1.00835 -0.793947 TIMING: 900800 CPU: 2846.57, 0.00314008/step Wall: 2846.57, 0.00314008/step, 3.5755 hours remaining, 233.128906 MB of memory in use. ENERGY: 900800 3991.0174 20637.3753 14392.0371 249.8571 -202616.0889 2282.3273 0.0000 0.0000 52492.6342 -108570.8404 301.6759 -161063.4746 -108201.1771 300.7719 -297.8389 -270.4640 762811.9855 -23.1887 -23.0832 PRESSURE: 901000 453.929 76.3551 50.2565 76.3548 341.369 -13.5321 50.2575 -13.5323 18.6596 GPRESSURE: 901000 444.083 128.889 48.9752 110.303 276.184 42.178 -9.15214 -51.0513 164.383 PRESSAVG: 901000 18.6775 35.5055 -10.9944 35.5055 -11.7108 -26.5844 -10.9945 -26.5844 -3.97625 GPRESSAVG: 901000 17.875 34.7917 -11.7398 36.1601 -11.8825 -26.0882 -11.7937 -26.5097 -2.94007 TIMING: 901000 CPU: 2847.19, 0.0031218/step Wall: 2847.19, 0.0031218/step, 3.55452 hours remaining, 233.128906 MB of memory in use. ENERGY: 901000 3901.4198 20699.2935 14512.7978 241.1314 -203183.4035 2713.8624 0.0000 0.0000 52321.1654 -108793.7333 300.6905 -161114.8987 -108433.7111 300.5690 271.3192 294.8836 761701.0388 0.9968 1.0175 PRESSURE: 901200 -57.701 28.7765 112.028 28.776 -41.0549 128.317 112.028 128.318 290.799 GPRESSURE: 901200 -97.321 33.5926 42.009 9.28346 -25.2038 97.6038 135.597 97.6104 385.861 PRESSAVG: 901200 18.1931 17.5408 -8.81755 17.5407 -50.9492 72.5297 -8.81746 72.5297 26.9814 GPRESSAVG: 901200 17.5656 19.0067 -7.44136 16.3678 -50.8069 73.3153 -10.6402 72.4933 27.1016 TIMING: 901200 CPU: 2847.82, 0.00314331/step Wall: 2847.82, 0.00314331/step, 3.57884 hours remaining, 233.128906 MB of memory in use. ENERGY: 901200 3938.6940 20654.8872 14536.2235 275.5633 -203056.7631 2706.0461 0.0000 0.0000 52352.7703 -108592.5787 300.8721 -160945.3490 -108232.0391 300.3270 64.0143 87.7786 761979.6323 -1.9249 -2.0466 PRESSURE: 901400 146.684 -38.9505 210.51 -38.9501 -82.5492 172.776 210.509 172.776 574.728 GPRESSURE: 901400 217.707 -50.5119 178.788 -32.6818 -15.6163 127.128 152.214 38.883 508.224 PRESSAVG: 901400 80.1695 13.1946 -31.1302 13.1946 -97.4459 45.5599 -31.1302 45.5599 6.18871 GPRESSAVG: 901400 82.3506 10.0261 -31.7252 14.8018 -99.4497 43.9611 -30.2807 46.0832 5.37475 TIMING: 901400 CPU: 2848.45, 0.0031473/step Wall: 2848.45, 0.0031473/step, 3.5832 hours remaining, 233.117188 MB of memory in use. ENERGY: 901400 4010.4254 20711.7639 14468.3503 250.8605 -203363.8114 2876.2298 0.0000 0.0000 52367.5814 -108678.6001 300.9572 -161046.1815 -108311.8394 301.1282 212.9542 236.7714 761224.3419 -3.6959 -3.9081 PRESSURE: 901600 -24.7134 -61.6616 -96.4077 -61.6618 -274.446 -94.5425 -96.4079 -94.5419 -135.347 GPRESSURE: 901600 10.9328 -111.346 -210.662 -106.447 -195.373 -100.761 39.4387 -73.6856 -148.426 PRESSAVG: 901600 -5.04241 52.2266 49.0385 52.2266 -57.5447 -5.17491 49.0384 -5.17504 0.299477 GPRESSAVG: 901600 -6.93134 52.6172 48.6801 49.2576 -56.34 -3.81453 48.6619 -6.51993 1.71804 TIMING: 901600 CPU: 2849.07, 0.00312532/step Wall: 2849.07, 0.00312532/step, 3.558 hours remaining, 233.128906 MB of memory in use. ENERGY: 901600 4020.7942 20580.5483 14432.3093 255.8045 -202994.8065 2467.6406 0.0000 0.0000 52332.9555 -108904.7541 300.7582 -161237.7096 -108543.2936 300.8617 -144.8357 -110.9554 762283.9255 -20.7626 -20.5178 PRESSURE: 901800 -157.886 1.64171 -51.186 1.64162 -292.921 -19.2253 -51.1855 -19.2248 377.024 GPRESSURE: 901800 -116.432 11.0978 -86.2603 27.3257 -183.422 -0.246439 -123.13 -39.779 329.568 PRESSAVG: 901800 73.2396 70.4149 38.7227 70.415 -89.1696 -28.5484 38.7227 -28.5484 -7.54821 GPRESSAVG: 901800 73.5001 73.1024 37.5809 71.7813 -89.5471 -29.527 39.5174 -29.1151 -7.83172 TIMING: 901800 CPU: 2849.71, 0.00317414/step Wall: 2849.71, 0.00317414/step, 3.61341 hours remaining, 233.128906 MB of memory in use. ENERGY: 901800 3998.1687 20642.4234 14454.0456 238.5140 -203163.9184 2567.9721 0.0000 0.0000 52356.3822 -108906.4125 300.8928 -161262.7947 -108548.8464 300.5711 -24.5943 9.9048 761335.4477 -7.8261 -7.9596 PRESSURE: 902000 88.5547 -33.8242 76.8987 -33.8233 -82.9516 86.5049 76.8993 86.5051 13.0451 GPRESSURE: 902000 195.84 -14.1426 71.0524 -44.3073 -50.9744 29.3064 24.8698 -66.0552 -32.5155 PRESSAVG: 902000 46.6541 50.7499 -1.00103 50.7498 -70.7372 3.38834 -1.00104 3.3884 19.4374 GPRESSAVG: 902000 46.5152 47.5072 -0.0745961 51.5939 -69.8798 3.34625 -1.39594 4.23842 18.5044 TIMING: 902000 CPU: 2850.34, 0.00314143/step Wall: 2850.34, 0.00314143/step, 3.57599 hours remaining, 233.117188 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: 902000 3951.2492 20638.8739 14442.5081 271.7971 -202852.3770 2337.6571 0.0000 0.0000 52190.2750 -109020.0165 299.9382 -161210.2915 -108643.9122 300.4033 6.2161 37.4500 763284.9218 -1.5486 -1.6201 PRESSURE: 902200 102.941 61.6444 -59.4673 61.6441 17.4942 -253.699 -59.4676 -253.698 -191.175 GPRESSURE: 902200 160.234 13.4455 -66.4087 -41.6743 8.38076 -123.921 -89.9974 -207.61 -165.956 PRESSAVG: 902200 63.5593 21.054 6.51926 21.054 -38.156 -19.2222 6.51922 -19.2223 1.94547 GPRESSAVG: 902200 63.3103 24.7214 8.11552 20.6325 -38.4192 -17.7338 5.92833 -20.9863 2.43855 TIMING: 902200 CPU: 2850.97, 0.00314921/step Wall: 2850.97, 0.00314921/step, 3.58467 hours remaining, 233.117188 MB of memory in use. ENERGY: 902200 3919.1753 20767.1866 14421.8222 240.8307 -203228.2517 2769.9606 0.0000 0.0000 51967.9250 -109141.3512 298.6604 -161109.2762 -108785.5189 300.4771 -23.5800 0.8864 762866.9586 9.1162 9.1099 PRESSURE: 902400 99.3345 -6.08262 -290.684 -6.08286 -26.4378 -246.369 -290.685 -246.367 -313.52 GPRESSURE: 902400 45.924 5.74791 -309.845 -81.9494 80.7426 -131.456 -219.036 -301.047 -274.636 PRESSAVG: 902400 12.2383 12.6969 21.209 12.6969 -20.5904 -32.8672 21.209 -32.8673 3.85673 GPRESSAVG: 902400 11.5625 9.65807 21.1032 12.6435 -20.1693 -34.5461 19.3892 -29.2257 3.82967 TIMING: 902400 CPU: 2851.59, 0.00313148/step Wall: 2851.59, 0.00313148/step, 3.56433 hours remaining, 233.117188 MB of memory in use. ENERGY: 902400 4063.9607 20614.6341 14382.9384 234.2973 -203368.8608 2654.9560 0.0000 0.0000 51999.6601 -109418.4142 298.8428 -161418.0744 -109047.4098 299.6102 -80.2076 -49.3233 760739.0599 -1.4985 -1.5924 PRESSURE: 902600 -223.913 172.116 -128.116 172.115 89.9855 107.99 -128.116 107.99 -50.4542 GPRESSURE: 902600 -224.418 146.64 -124.395 57.5341 157.812 103.122 -4.92975 -26.0581 -55.6136 PRESSAVG: 902600 14.7563 11.7789 1.39892 11.7789 8.32426 6.00105 1.399 6.00108 -2.5914 GPRESSAVG: 902600 15.1732 13.2153 1.16599 11.9057 7.42476 7.21418 2.79117 4.64146 -2.19 TIMING: 902600 CPU: 2852.22, 0.00313668/step Wall: 2852.22, 0.00313668/step, 3.57006 hours remaining, 233.117188 MB of memory in use. ENERGY: 902600 4050.1899 20621.5722 14372.2823 251.2716 -203096.9652 2481.8086 0.0000 0.0000 52068.2658 -109251.5749 299.2370 -161319.8407 -108885.6110 299.6761 -61.4604 -40.7401 761085.1317 6.8297 6.8027 PRESSURE: 902800 287.294 -6.9354 -78.9334 -6.93605 124.395 -188.182 -78.9329 -188.181 -54.8001 GPRESSURE: 902800 396.41 0.79751 -128.622 17.8215 58.2058 -233.707 228.581 -120.172 -31.8767 PRESSAVG: 902800 26.9738 7.1747 14.5879 7.17473 3.94391 -20.6729 14.5878 -20.673 2.15145 GPRESSAVG: 902800 26.4596 5.48953 12.654 8.06211 4.6881 -20.8511 17.6841 -20.11 1.60353 TIMING: 902800 CPU: 2852.85, 0.00317704/step Wall: 2852.85, 0.00317704/step, 3.61582 hours remaining, 233.117188 MB of memory in use. ENERGY: 902800 4063.8614 20527.2572 14409.7871 249.0164 -203280.2544 2719.9274 0.0000 0.0000 52323.7595 -108986.6455 300.7054 -161310.4050 -108627.1600 300.3041 118.9629 140.9129 760782.2058 11.0230 10.9171 PRESSURE: 903000 -289.132 -25.1711 72.3906 -25.1713 -139.001 -278.915 72.3908 -278.913 -181.808 GPRESSURE: 903000 -193.844 59.9091 34.6524 -13.4796 -43.1581 -262.846 64.5684 -286.172 -275.224 PRESSAVG: 903000 -22.6008 49.8564 4.12913 49.8564 -9.09587 -4.65611 4.12914 -4.65604 9.25139 GPRESSAVG: 903000 -23.1659 52.7675 4.7054 48.59 -7.89709 -5.38547 2.71457 -5.73191 8.66654 TIMING: 903000 CPU: 2853.48, 0.0031454/step Wall: 2853.48, 0.0031454/step, 3.57964 hours remaining, 233.117188 MB of memory in use. ENERGY: 903000 4065.0417 20565.4631 14434.4106 224.4423 -202913.1395 2320.6243 0.0000 0.0000 52233.2762 -109069.8812 300.1854 -161303.1574 -108710.4724 300.3825 -203.3135 -170.7417 761353.4919 -7.4818 -7.4655 PRESSURE: 903200 -109.822 228.133 102.475 228.133 366.862 -196.471 102.476 -196.472 -259.336 GPRESSURE: 903200 -56.1007 193.686 83.0037 41.7703 297.999 -148.659 166.135 -207.962 -150.593 PRESSAVG: 903200 35.221 33.8222 33.3978 33.8222 -43.4013 -25.6665 33.3979 -25.6665 -19.1283 GPRESSAVG: 903200 36.3117 29.8963 33.3698 35.0676 -44.4271 -25.6963 32.2778 -26.6888 -19.0543 TIMING: 903200 CPU: 2854.12, 0.00316569/step Wall: 2854.12, 0.00316569/step, 3.60256 hours remaining, 233.117188 MB of memory in use. ENERGY: 903200 3993.1028 20614.8537 14382.7661 239.4551 -203380.8657 2699.8463 0.0000 0.0000 52397.2910 -109053.5505 301.1280 -161450.8416 -108686.2011 300.1326 -0.7656 30.4353 762643.4742 -9.1029 -9.0566 PRESSURE: 903400 -475.959 -44.9054 -121.444 -44.9057 -437.683 -110.509 -121.444 -110.509 -51.9097 GPRESSURE: 903400 -416.51 -126.383 -141.749 -86.1614 -358.545 -150.988 -16.8998 -101.619 -112.932 PRESSAVG: 903400 39.586 63.0364 28.1216 63.0364 -53.1363 -18.803 28.1217 -18.8029 -8.69127 GPRESSAVG: 903400 40.1868 64.2872 27.1599 62.7103 -54.0943 -17.97 29.7901 -16.1371 -7.83185 TIMING: 903400 CPU: 2854.75, 0.00314674/step Wall: 2854.75, 0.00314674/step, 3.58081 hours remaining, 233.128906 MB of memory in use. ENERGY: 903400 4009.9356 20672.7657 14414.1393 237.1548 -203038.8549 2607.0969 0.0000 0.0000 52148.5780 -108949.1845 299.6986 -161097.7625 -108575.3935 300.5678 -321.8507 -295.9957 764801.3739 -7.4139 -7.2465 PRESSURE: 903600 -272.58 2.98553 -97.5295 2.98495 -367.315 -3.85835 -97.5289 -3.85855 -420.033 GPRESSURE: 903600 -279.979 -103.906 -98.8277 22.8777 -256.366 -49.2776 -145.94 -9.17631 -450.936 PRESSAVG: 903600 -36.4678 -32.6925 24.007 -32.6925 -4.64009 -20.8354 24.007 -20.8353 8.21997 GPRESSAVG: 903600 -37.3936 -30.9929 25.6297 -33.8404 -3.43381 -21.8119 21.2203 -21.6259 8.29908 TIMING: 903600 CPU: 2855.38, 0.00314972/step Wall: 2855.38, 0.00314972/step, 3.58403 hours remaining, 233.128906 MB of memory in use. ENERGY: 903600 4127.3607 20636.5342 14414.3340 254.2176 -203386.4466 2711.9306 0.0000 0.0000 52223.9108 -109018.1588 300.1315 -161242.0696 -108648.0425 300.3576 -353.3097 -329.0937 765347.5822 -10.9626 -10.8428 PRESSURE: 903800 -313.043 -4.64345 52.8858 -4.64329 -103.461 150.76 52.8859 150.759 -1.0226 GPRESSURE: 903800 -251.987 20.8097 51.4738 -37.4843 -108.251 184.369 -40.1663 64.2813 41.4714 PRESSAVG: 903800 12.8863 9.92772 -12.5337 9.92778 -24.2088 28.0982 -12.5338 28.0982 7.9993 GPRESSAVG: 903800 12.869 9.16745 -10.7086 9.74744 -25.0142 27.8382 -12.7813 26.7904 7.85654 TIMING: 903800 CPU: 2856, 0.0031405/step Wall: 2856, 0.0031405/step, 3.57337 hours remaining, 233.128906 MB of memory in use. ENERGY: 903800 4070.1640 20643.3212 14390.7355 238.7407 -203199.4388 2481.9253 0.0000 0.0000 52318.0300 -109056.5221 300.6724 -161374.5521 -108680.1998 300.9168 -139.1755 -106.2556 763535.8013 -1.1077 -1.4296 PRESSURE: 904000 -164.073 106.531 47.621 106.53 -90.7115 -24.9687 47.6207 -24.9676 -283.093 GPRESSURE: 904000 -139.246 75.8733 12.5758 161.048 -60.7309 7.15534 82.2785 -99.8714 -254.684 PRESSAVG: 904000 38.6806 19.5421 -10.4022 19.5421 -31.2919 9.86018 -10.4021 9.86019 -18.7146 GPRESSAVG: 904000 38.8944 20.118 -13.3294 21.5799 -31.1864 10.629 -9.50471 10.0829 -18.0117 TIMING: 904000 CPU: 2856.63, 0.00313455/step Wall: 2856.63, 0.00313455/step, 3.56642 hours remaining, 233.128906 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: 904000 4057.0930 20704.9131 14352.3910 235.5184 -203559.2119 2652.7660 0.0000 0.0000 52403.2936 -109153.2368 301.1624 -161556.5304 -108792.9347 300.1048 -179.2925 -151.5535 761722.0170 -3.7753 -3.4346 PRESSURE: 904200 -128.902 40.5929 -209.704 40.5937 -277.931 -96.5434 -209.703 -96.5425 124.013 GPRESSURE: 904200 -36.3457 6.23901 -189.899 150.327 -172.307 -129.404 -43.795 -123.994 23.2261 PRESSAVG: 904200 5.0079 21.5376 -6.6044 21.5376 27.1596 -6.99143 -6.60439 -6.99145 -12.1349 GPRESSAVG: 904200 4.12863 21.1224 -6.8835 22.4429 27.9721 -7.0376 -4.75365 -5.29893 -12.6107 TIMING: 904200 CPU: 2857.25, 0.00311682/step Wall: 2857.25, 0.00311682/step, 3.54607 hours remaining, 233.117188 MB of memory in use. ENERGY: 904200 4026.4286 20550.6808 14483.5662 250.6865 -203719.5803 2915.0966 0.0000 0.0000 52359.7343 -109133.3874 300.9121 -161493.1217 -108764.3287 300.4286 -94.2731 -61.8088 761042.9501 6.6775 6.4967 LDB: ============= START OF LOAD BALANCING ============== 2869.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2869.78 LDB: =============== DONE WITH MIGRATION ================ 2869.79 LDB: ============= START OF LOAD BALANCING ============== 2870.1 LDB: Largest compute 7058 load 0.031107 is 15.9% of average load 0.195300 LDB: Average compute 0.004380 is 2.2% of average load 0.195300 LDB: TIME 2870.1 LOAD: AVG 0.1953 MAX 0.213563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.168 MB LDB: TIME 2870.1 LOAD: AVG 0.1953 MAX 0.213563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: TIME 2870.1 LOAD: AVG 0.1953 MAX 0.213563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.168 MB LDB: ============== END OF LOAD BALANCING =============== 2870.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2870.11 PRESSURE: 904400 -60.581 -136.244 -77.7085 -136.244 118.746 -9.57583 -77.7084 -9.57733 226.779 GPRESSURE: 904400 17.5768 -33.351 -9.98249 -295.271 127.839 -2.68285 -226.458 -32.7816 216.009 PRESSAVG: 904400 -22.7816 7.7117 23.0827 7.71171 56.8728 17.6935 23.0827 17.6936 -8.72246 GPRESSAVG: 904400 -20.7326 6.19699 23.8718 8.63248 56.2171 17.381 22.8496 15.9208 -9.90051 TIMING: 904400 CPU: 2857.89, 0.00318346/step Wall: 2857.89, 0.00318346/step, 3.62172 hours remaining, 232.925781 MB of memory in use. ENERGY: 904400 3999.9949 20667.1024 14368.1729 252.9460 -203452.1438 2854.5063 0.0000 0.0000 52225.1310 -109084.2902 300.1385 -161309.4212 -108726.6240 299.8586 94.9814 120.4749 762592.4166 8.4562 8.5280 PRESSURE: 904600 23.5134 -25.3318 252.012 -25.3324 5.78476 -83.5815 252.012 -83.5824 -28.7642 GPRESSURE: 904600 28.6622 -58.1261 245.153 -71.9554 73.3721 -81.1045 305.02 -148.587 -30.9664 PRESSAVG: 904600 -69.409 79.5052 30.4373 79.5052 30.5791 13.6581 30.4372 13.6581 13.2028 GPRESSAVG: 904600 -70.3866 81.3576 30.3517 78.1356 29.4477 12.8862 29.3656 11.7655 14.8735 TIMING: 904600 CPU: 2858.52, 0.00312398/step Wall: 2858.52, 0.00312398/step, 3.55387 hours remaining, 233.128906 MB of memory in use. ENERGY: 904600 4008.9660 20603.4030 14418.3275 244.0200 -203113.3733 2690.1792 0.0000 0.0000 52253.6324 -108894.8452 300.3023 -161148.4775 -108535.3365 300.0663 0.1780 23.6893 762578.7895 -8.5424 -8.6885 PRESSURE: 904800 132.113 8.84018 52.3774 8.84001 340.067 237.573 52.3785 237.572 273.789 GPRESSURE: 904800 149.807 31.023 100.152 8.06165 362.259 267.289 61.1486 253.965 314.661 PRESSAVG: 904800 -6.03347 62.1108 9.38428 62.1108 20.6593 12.9403 9.38432 12.9404 9.81043 GPRESSAVG: 904800 -6.61138 60.748 8.66064 61.398 20.7621 13.5328 12.0917 13.7817 10.3471 TIMING: 904800 CPU: 2859.15, 0.00314678/step Wall: 2859.15, 0.00314678/step, 3.57963 hours remaining, 233.128906 MB of memory in use. ENERGY: 904800 3960.6344 20467.8444 14434.3843 239.1481 -203057.9767 2761.8474 0.0000 0.0000 52324.8848 -108869.2333 300.7118 -161194.1181 -108490.5014 300.5462 248.6563 275.5753 762435.6017 8.1454 8.1660 PRESSURE: 905000 -234.077 73.0683 -87.6807 73.0681 38.1874 -80.4713 -87.6809 -80.4713 306.842 GPRESSURE: 905000 -241.263 89.5917 -57.9636 160.548 190.208 -42.7172 -91.486 -59.4323 270.816 PRESSAVG: 905000 -35.2569 56.1494 -45.0793 56.1494 26.0124 11.828 -45.0794 11.828 20.6083 GPRESSAVG: 905000 -35.6357 55.1992 -44.6798 55.6662 28.044 11.2167 -46.6246 11.9932 18.9186 TIMING: 905000 CPU: 2859.78, 0.00314971/step Wall: 2859.78, 0.00314971/step, 3.58279 hours remaining, 233.128906 MB of memory in use. ENERGY: 905000 3947.0886 20482.4220 14507.5147 229.4849 -202721.2751 2371.4724 0.0000 0.0000 52154.2957 -109028.9967 299.7315 -161183.2924 -108664.7596 300.2703 36.9840 73.2538 761810.0408 3.7879 3.7756 PRESSURE: 905200 269.258 55.0732 1.35037 55.0735 566.389 -67.9657 1.35054 -67.9663 -128.604 GPRESSURE: 905200 275.393 43.6596 -42.551 12.2162 488.565 -25.1508 -137.901 4.66399 26.2851 PRESSAVG: 905200 -7.0918 16.8783 -21.1928 16.8784 12.5769 -12.024 -21.1928 -12.024 -14.3813 GPRESSAVG: 905200 -8.11673 18.6528 -21.1171 18.6693 12.05 -11.7311 -22.2872 -10.6501 -12.7378 TIMING: 905200 CPU: 2860.4, 0.00313134/step Wall: 2860.4, 0.00313134/step, 3.56172 hours remaining, 233.128906 MB of memory in use. ENERGY: 905200 3993.6354 20681.7197 14510.1209 243.7176 -202640.7459 2358.2883 0.0000 0.0000 51935.9880 -108917.2760 298.4768 -160853.2639 -108560.6595 300.1228 235.6811 263.4145 761784.9953 -2.9654 -2.9348 PRESSURE: 905400 124.619 123.482 -78.4704 123.482 -125.08 -291.879 -78.4706 -291.879 -8.7414 GPRESSURE: 905400 187.428 129.979 -82.8744 -42.2249 -85.9571 -274.008 -75.064 -209.663 -16.2095 PRESSAVG: 905400 82.4734 38.9314 -24.2188 38.9314 -50.3931 74.4807 -24.2188 74.4807 -7.64456 GPRESSAVG: 905400 83.3895 40.1089 -24.0398 36.3807 -51.055 74.309 -24.2493 74.5423 -8.36663 TIMING: 905400 CPU: 2861.03, 0.00313458/step Wall: 2861.03, 0.00313458/step, 3.56523 hours remaining, 233.128906 MB of memory in use. ENERGY: 905400 3958.5826 20658.1260 14501.1283 254.1378 -202822.3231 2515.6556 0.0000 0.0000 51962.8645 -108971.8283 298.6313 -160934.6929 -108629.9913 299.8946 -3.0675 28.4204 760222.5314 8.1453 7.9893 PRESSURE: 905600 -71.032 -245.325 113.982 -245.324 -231.566 -6.11526 113.982 -6.11413 -652.337 GPRESSURE: 905600 -63.2084 -117.248 119.535 -254.511 -173.818 51.3104 192.7 95.4742 -666.908 PRESSAVG: 905600 20.2112 -6.44107 18.6487 -6.4411 -14.4811 34.5066 18.6487 34.5066 5.66129 GPRESSAVG: 905600 20.2123 -6.8303 17.2906 -5.79659 -15.1475 33.226 21.1642 33.6852 6.24152 TIMING: 905600 CPU: 2861.66, 0.00314221/step Wall: 2861.66, 0.00314221/step, 3.57374 hours remaining, 233.128906 MB of memory in use. ENERGY: 905600 4002.0822 20417.6388 14427.6915 252.2823 -202517.3374 2288.4973 0.0000 0.0000 52029.7658 -109099.3796 299.0158 -161129.1454 -108731.6244 299.7208 -318.3115 -301.3116 763675.8868 3.7971 3.7688 PRESSURE: 905800 -171.97 68.7658 -59.5171 68.7662 -35.3484 -32.4049 -59.5171 -32.4048 -246.992 GPRESSURE: 905800 -214.08 13.6642 -25.0767 11.9293 88.2505 -130.696 -34.9918 -37.7885 -230.334 PRESSAVG: 905800 11.0184 -38.9304 -11.7151 -38.9304 -12.9864 20.2361 -11.7151 20.2362 0.64667 GPRESSAVG: 905800 10.2151 -40.41 -11.728 -37.9872 -11.1199 21.1581 -13.9119 20.1733 0.112182 TIMING: 905800 CPU: 2862.29, 0.00314484/step Wall: 2862.29, 0.00314484/step, 3.57655 hours remaining, 233.128906 MB of memory in use. ENERGY: 905800 3963.5155 20494.1065 14425.7449 249.5666 -202946.5944 2548.2816 0.0000 0.0000 52108.8789 -109156.5003 299.4704 -161265.3792 -108787.8215 299.3890 -151.4366 -118.7213 763763.9830 -0.4405 -0.2642 PRESSURE: 906000 -183.831 173.465 262.596 173.464 -168.067 197.701 262.596 197.7 -447.148 GPRESSURE: 906000 -101.349 54.9096 186.078 127.273 -202.899 159.323 221.906 147.049 -430.332 PRESSAVG: 906000 -7.5857 57.1847 -10.866 57.1847 -18.38 11.3833 -10.866 11.3833 13.7684 GPRESSAVG: 906000 -6.57187 56.0551 -12.3486 56.4698 -19.235 11.176 -12.3322 12.3881 13.5469 TIMING: 906000 CPU: 2862.92, 0.00314764/step Wall: 2862.92, 0.00314764/step, 3.57956 hours remaining, 233.128906 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: 906000 3991.0838 20420.5822 14449.5185 234.6553 -202716.4006 2490.0856 0.0000 0.0000 52107.4700 -109023.0053 299.4623 -161130.4753 -108656.4292 299.2548 -266.3490 -244.8599 763068.7972 -4.0658 -4.0867 PRESSURE: 906200 157.014 205.599 -6.19898 205.598 397.757 171.074 -6.20036 171.074 -105.085 GPRESSURE: 906200 108.388 131.099 -13.0605 274.196 446.932 220.829 103.604 118.441 -42.3154 PRESSAVG: 906200 11.1084 1.72828 7.84323 1.72827 -19.0906 14.3923 7.84318 14.3922 24.4314 GPRESSAVG: 906200 11.4564 1.82286 11.0934 4.39525 -19.683 15.773 7.95745 12.3517 24.4576 TIMING: 906200 CPU: 2863.54, 0.00313436/step Wall: 2863.54, 0.00313436/step, 3.56429 hours remaining, 233.128906 MB of memory in use. ENERGY: 906200 4071.2599 20601.9743 14463.8642 252.5044 -203056.3180 2746.3309 0.0000 0.0000 52056.5554 -108863.8289 299.1697 -160920.3844 -108509.5272 299.8314 149.8951 171.0016 762019.0017 5.4831 5.4103 PRESSURE: 906400 -112.214 48.0523 -440.104 48.0522 132.765 -201.909 -440.104 -201.909 -276.759 GPRESSURE: 906400 -47.0677 -34.1384 -403.508 -116.59 219.069 -80.3157 -351.138 -186.69 -351.845 PRESSAVG: 906400 -47.2265 -4.97321 2.38032 -4.97316 39.0682 -9.07377 2.38038 -9.0738 32.5761 GPRESSAVG: 906400 -46.9504 -3.29283 2.02345 -6.59441 38.6564 -7.96674 4.60207 -8.27448 32.3112 TIMING: 906400 CPU: 2864.17, 0.00311883/step Wall: 2864.17, 0.00311883/step, 3.54645 hours remaining, 233.128906 MB of memory in use. ENERGY: 906400 4013.6792 20635.7022 14496.4467 238.1313 -203032.4925 2454.2297 0.0000 0.0000 52042.6470 -109151.6564 299.0898 -161194.3034 -108801.1927 299.8065 -85.4028 -59.9480 763273.1405 8.1393 8.0057 PRESSURE: 906600 -323.243 89.2365 177.165 89.2372 -389.342 -72.7717 177.165 -72.7731 -70.1152 GPRESSURE: 906600 -286.445 87.2532 159.193 51.1523 -277.621 -97.5874 105.931 -24.9723 -148.956 PRESSAVG: 906600 -28.5922 49.6229 -5.7906 49.6229 26.6897 -18.2303 -5.79057 -18.2304 5.93366 GPRESSAVG: 906600 -29.9043 50.211 -5.35788 47.6204 26.4703 -19.1646 -8.62923 -17.3257 7.14898 TIMING: 906600 CPU: 2864.8, 0.00314708/step Wall: 2864.8, 0.00314708/step, 3.5784 hours remaining, 233.128906 MB of memory in use. ENERGY: 906600 3985.4366 20577.6150 14454.5366 262.5643 -202878.3372 2248.3926 0.0000 0.0000 52226.6860 -109123.1061 300.1475 -161349.7921 -108754.3062 299.9309 -260.9000 -237.6740 762404.4513 1.3437 1.2383 PRESSURE: 906800 -468.347 -168.089 104.162 -168.089 -126.84 233.681 104.163 233.681 -280.704 GPRESSURE: 906800 -497.527 -78.7997 124.225 -84.912 -89.9957 96.7767 83.0663 124.339 -201.676 PRESSAVG: 906800 -5.19113 0.639885 -19.9442 0.63984 27.3225 26.7748 -19.9442 26.7748 -2.6389 GPRESSAVG: 906800 -4.95053 1.17698 -20.1702 -0.181162 28.5096 25.872 -20.5582 25.5955 -3.60973 TIMING: 906800 CPU: 2865.43, 0.00315774/step Wall: 2865.43, 0.00315774/step, 3.59036 hours remaining, 233.128906 MB of memory in use. ENERGY: 906800 3999.8965 20529.7234 14385.4646 235.0719 -203000.5174 2478.4146 0.0000 0.0000 52255.4801 -109116.4663 300.3130 -161371.9464 -108749.7016 300.0628 -291.9639 -263.0663 763264.2801 6.4975 6.6498 PRESSURE: 907000 580.466 -86.065 -52.0637 -86.0641 179.089 35.903 -52.0631 35.903 46.874 GPRESSURE: 907000 557.114 -184.443 -84.7859 98.8801 294.587 121.468 45.2248 79.7277 38.1818 PRESSAVG: 907000 27.8589 35.6816 -35.7742 35.6816 9.12184 49.1473 -35.7742 49.1473 2.66488 GPRESSAVG: 907000 28.8575 33.4838 -38.0756 38.5103 8.84147 48.4319 -31.6353 49.4308 1.95971 TIMING: 907000 CPU: 2866.06, 0.00315115/step Wall: 2866.06, 0.00315115/step, 3.58268 hours remaining, 233.128906 MB of memory in use. ENERGY: 907000 4029.6141 20597.2006 14398.6371 244.0820 -203283.4390 2694.0571 0.0000 0.0000 52175.5814 -109144.2668 299.8538 -161319.8481 -108774.4384 299.7311 268.8099 296.6277 761889.8217 13.2152 13.2196 PRESSURE: 907200 -341.715 22.5177 21.4935 22.519 -549.34 81.0488 21.4929 81.049 -328.534 GPRESSURE: 907200 -346.407 7.23231 72.4293 11.1675 -515.644 27.4224 65.2754 56.8902 -282.712 PRESSAVG: 907200 -37.8312 16.8583 -25.8778 16.8583 23.7023 22.1868 -25.8779 22.1868 12.3316 GPRESSAVG: 907200 -39.6516 18.3464 -25.6888 14.9982 23.3722 23.6547 -27.6574 22.9557 13.9778 TIMING: 907200 CPU: 2866.69, 0.00317749/step Wall: 2866.69, 0.00317749/step, 3.61245 hours remaining, 233.128906 MB of memory in use. ENERGY: 907200 4054.1489 20590.7282 14446.8784 265.8564 -202797.4431 2330.9539 0.0000 0.0000 51787.5647 -109321.3126 297.6238 -161108.8773 -108961.3898 299.0410 -406.5298 -381.5875 763223.1622 -0.5991 -0.7672 PRESSURE: 907400 31.1212 96.822 -183.311 96.8218 96.6878 -151.519 -183.311 -151.52 166.34 GPRESSURE: 907400 64.7287 108.036 -151.428 166.637 171.754 -160.469 -208.941 -94.9603 147.187 PRESSAVG: 907400 4.72142 72.2813 -17.8917 72.2812 3.00243 9.68988 -17.8917 9.68983 21.8954 GPRESSAVG: 907400 6.17631 69.8006 -17.1183 74.7293 2.65114 8.76752 -16.5222 8.58773 20.9322 TIMING: 907400 CPU: 2867.32, 0.00315025/step Wall: 2867.32, 0.00315025/step, 3.58131 hours remaining, 233.128906 MB of memory in use. ENERGY: 907400 3970.5057 20479.2171 14476.7406 245.1121 -203166.1589 2762.5999 0.0000 0.0000 51754.3092 -109477.6743 297.4327 -161231.9835 -109118.7977 298.6932 98.0495 127.8899 762367.5523 9.8731 9.9199 PRESSURE: 907600 107.319 -33.8357 44.5143 -33.8353 -48.7201 170.975 44.5136 170.974 -208.224 GPRESSURE: 907600 147.007 -63.6649 108.412 -112.24 5.32691 116.775 -23.9964 148.542 -230.636 PRESSAVG: 907600 50.3704 1.86239 15.9219 1.86239 -13.9392 -21.616 15.922 -21.616 -3.57226 GPRESSAVG: 907600 50.758 5.30686 16.4959 -1.4337 -13.8824 -22.2214 14.0435 -21.4852 -4.8719 TIMING: 907600 CPU: 2867.95, 0.00314593/step Wall: 2867.95, 0.00314593/step, 3.57623 hours remaining, 233.128906 MB of memory in use. ENERGY: 907600 4072.5158 20503.2878 14485.7821 254.4424 -203699.1208 2910.4647 0.0000 0.0000 52174.2730 -109298.3550 299.8463 -161472.6280 -108937.2992 298.9090 -49.8750 -26.1009 761860.2247 10.9530 10.6679 PRESSURE: 907800 32.9694 -12.4478 154.414 -12.4477 -196.275 -30.0037 154.415 -30.0027 549.416 GPRESSURE: 907800 29.5786 -55.5343 151.823 61.827 -168.949 -110.935 127.26 -0.621544 618.381 PRESSAVG: 907800 59.5996 29.6392 9.65631 29.6392 3.41973 -6.4055 9.65636 -6.40543 6.20932 GPRESSAVG: 907800 57.9725 26.782 9.66067 31.7981 2.56386 -7.78001 9.65816 -4.74798 7.8473 TIMING: 907800 CPU: 2868.58, 0.00315837/step Wall: 2868.58, 0.00315837/step, 3.59019 hours remaining, 233.128906 MB of memory in use. ENERGY: 907800 3944.5555 20497.9110 14406.3654 250.8676 -203288.3282 2746.9330 0.0000 0.0000 52105.5482 -109336.1476 299.4513 -161441.6958 -108982.1918 299.5479 128.7035 159.6702 762777.2401 23.0762 22.7946 PRESSURE: 908000 -74.5909 -98.3962 -409.536 -98.3961 -4.58396 41.6967 -409.536 41.6967 -257.139 GPRESSURE: 908000 31.0048 -106.908 -357.312 -111.809 7.26456 76.8028 -396.5 181.067 -288.479 PRESSAVG: 908000 17.2841 15.304 10.1406 15.304 -15.0866 6.49024 10.1406 6.49021 17.9952 GPRESSAVG: 908000 18.3344 16.2863 11.1361 12.2007 -15.0486 7.72626 8.61922 5.71861 16.2962 TIMING: 908000 CPU: 2869.22, 0.00315746/step Wall: 2869.22, 0.00315746/step, 3.58898 hours remaining, 233.128906 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: 908000 3985.5942 20430.0176 14455.5509 260.7712 -203609.9619 2839.1174 0.0000 0.0000 52246.6897 -109392.2209 300.2624 -161638.9106 -109030.0455 299.2341 -112.1045 -83.4032 762728.4586 6.7309 6.5273 PRESSURE: 908200 -177.228 -60.2158 -151.232 -60.2145 -208.339 65.3963 -151.232 65.3959 -26.5396 GPRESSURE: 908200 -135.561 -2.93942 -160.163 -17.2056 -127.688 63.3931 -122.823 35.5477 -40.2686 PRESSAVG: 908200 23.8301 27.2258 -59.4998 27.2258 -34.066 0.648943 -59.4998 0.648893 -14.6747 GPRESSAVG: 908200 22.5371 25.8701 -59.304 30.3603 -33.61 -0.367141 -59.0435 0.757772 -14.0688 TIMING: 908200 CPU: 2869.84, 0.00313888/step Wall: 2869.84, 0.00313888/step, 3.56769 hours remaining, 233.128906 MB of memory in use. ENERGY: 908200 4002.7152 20720.0406 14435.8374 268.2506 -203094.1284 2371.6401 0.0000 0.0000 51866.0186 -109429.6259 298.0747 -161295.6445 -109066.2412 298.9441 -137.3688 -101.1724 761451.8425 -8.3035 -8.3806 LDB: ============= START OF LOAD BALANCING ============== 2882.37 LDB: ============== END OF LOAD BALANCING =============== 2882.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2882.38 LDB: ============= START OF LOAD BALANCING ============== 2882.69 LDB: Largest compute 7078 load 0.031020 is 15.9% of average load 0.195286 LDB: Average compute 0.004394 is 2.3% of average load 0.195286 LDB: TIME 2882.7 LOAD: AVG 0.195286 MAX 0.213606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.184 MB LDB: TIME 2882.7 LOAD: AVG 0.195286 MAX 0.213606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.207 MB LDB: TIME 2882.7 LOAD: AVG 0.195286 MAX 0.213606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.207 MB LDB: ============== END OF LOAD BALANCING =============== 2882.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2882.7 PRESSURE: 908400 -167.828 18.0903 -230.557 18.0916 -217.859 -163.938 -230.557 -163.937 -209.972 GPRESSURE: 908400 -138.703 -49.8287 -291.118 106.583 -185.36 -57.1946 -158.563 -93.4149 -186.849 PRESSAVG: 908400 -19.5345 22.1089 -22.8173 22.1089 -14.2184 -39.7017 -22.8173 -39.7018 5.94104 GPRESSAVG: 908400 -18.2846 23.8545 -23.9108 23.0413 -15.7117 -37.6487 -21.0709 -40.6577 5.54759 TIMING: 908400 CPU: 2870.49, 0.00322601/step Wall: 2870.49, 0.00322601/step, 3.66654 hours remaining, 233.128906 MB of memory in use. ENERGY: 908400 4076.7713 20632.9349 14404.4832 249.4156 -203261.1348 2661.9490 0.0000 0.0000 51701.4061 -109534.1747 297.1287 -161235.5808 -109169.4756 298.9487 -198.5531 -170.3043 762540.7652 -9.2706 -9.4829 PRESSURE: 908600 -27.2584 98.724 37.7319 98.7229 -240.284 -153.727 37.731 -153.728 -57.5568 GPRESSURE: 908600 8.16452 22.3422 -27.0391 82.2827 -239.64 -150.863 58.8965 -187.689 -13.549 PRESSAVG: 908600 -8.19776 -6.22258 -42.603 -6.22257 -8.46799 -35.1062 -42.603 -35.1061 10.2328 GPRESSAVG: 908600 -7.19464 -4.57268 -42.5581 -10.8139 -9.04002 -35.3346 -42.4133 -34.8985 9.30904 TIMING: 908600 CPU: 2871.12, 0.00315208/step Wall: 2871.12, 0.00315208/step, 3.58234 hours remaining, 233.128906 MB of memory in use. ENERGY: 908600 3987.3720 20442.5801 14408.1535 241.7259 -203202.5912 2630.1714 0.0000 0.0000 51968.2238 -109524.3645 298.6621 -161492.5883 -109163.2529 298.9676 -108.3664 -81.6749 762067.5671 -2.1443 -2.3085 PRESSURE: 908800 20.9971 -28.5798 145.606 -28.5804 76.6526 183.414 145.605 183.413 -187.434 GPRESSURE: 908800 -48.1117 -13.9247 83.7215 -183.976 150.405 228.506 26.908 139.308 -115.608 PRESSAVG: 908800 46.8414 -2.63562 -40.4797 -2.6356 -8.40954 -20.8536 -40.4796 -20.8536 -1.13487 GPRESSAVG: 908800 44.9749 -5.19526 -41.3733 -0.594934 -7.05647 -20.6898 -40.3565 -22.3745 -0.703691 TIMING: 908800 CPU: 2871.75, 0.00314068/step Wall: 2871.75, 0.00314068/step, 3.56921 hours remaining, 233.128906 MB of memory in use. ENERGY: 908800 4055.1861 20667.6007 14372.7665 252.4533 -203623.6613 2863.9800 0.0000 0.0000 51979.2025 -109432.4722 298.7252 -161411.6748 -109076.6332 299.1086 -29.9282 -4.4383 761250.8680 12.4323 12.4049 PRESSURE: 909000 -342.254 -70.1556 104.878 -70.1558 -116.591 286.383 104.877 286.383 -155.952 GPRESSURE: 909000 -174.858 -103.444 -11.3057 -24.0916 -179.066 399.792 62.3098 250.29 -153.853 PRESSAVG: 909000 -1.0492 -24.2747 -25.0553 -24.2747 -4.71455 6.87149 -25.0553 6.8715 27.4078 GPRESSAVG: 909000 -1.32567 -23.0295 -25.4033 -26.2322 -4.07303 5.35717 -26.4653 10.3663 27.3565 TIMING: 909000 CPU: 2872.38, 0.00314466/step Wall: 2872.38, 0.00314466/step, 3.57356 hours remaining, 233.187500 MB of memory in use. ENERGY: 909000 4001.8932 20405.2579 14460.0315 246.8541 -203242.4718 2338.8930 0.0000 0.0000 52133.2396 -109656.3025 299.6104 -161789.5421 -109293.5643 298.6375 -204.9322 -169.2588 761183.6610 7.2147 7.3193 PRESSURE: 909200 -188.68 195.641 -29.7685 195.642 242.048 301.957 -29.7676 301.957 -189.353 GPRESSURE: 909200 -127.113 47.5948 -113.678 227.246 250.152 223.04 -70.9669 301.861 -162.547 PRESSAVG: 909200 -7.47046 19.5806 -30.7194 19.5807 15.3551 33.165 -30.7193 33.165 16.009 GPRESSAVG: 909200 -6.61768 16.987 -31.2655 23.1021 13.2029 33.2258 -29.2373 31.7779 17.2178 TIMING: 909200 CPU: 2873.01, 0.00315258/step Wall: 2873.01, 0.00315258/step, 3.58238 hours remaining, 233.324219 MB of memory in use. ENERGY: 909200 3935.6205 20516.4251 14440.6051 250.0953 -203429.3331 2739.0966 0.0000 0.0000 51955.3455 -109592.1451 298.5881 -161547.4905 -109220.4495 298.4191 -45.3286 -13.1695 761699.3803 7.9645 7.9343 PRESSURE: 909400 128.336 -217.055 68.2646 -217.056 7.11996 -30.1791 68.2653 -30.179 277.398 GPRESSURE: 909400 29.3041 -131.361 115.765 -180.816 70.856 5.34315 -25.2051 -82.2328 400.676 PRESSAVG: 909400 -54.1913 -0.329511 5.13194 -0.329487 53.9102 16.7973 5.13197 16.7973 -20.4978 GPRESSAVG: 909400 -56.391 2.56236 7.95066 -0.818316 55.0706 17.7046 2.76517 18.8433 -19.4724 TIMING: 909400 CPU: 2873.64, 0.00315803/step Wall: 2873.64, 0.00315803/step, 3.5884 hours remaining, 233.324219 MB of memory in use. ENERGY: 909400 3998.5893 20450.8722 14469.4804 246.1988 -203711.9125 2820.4649 0.0000 0.0000 52100.1587 -109626.1482 299.4203 -161726.3069 -109257.9111 299.3649 137.6182 166.9454 761566.8021 -6.9263 -6.9310 PRESSURE: 909600 4.27166 -102.382 108.042 -102.381 -61.7578 -163.251 108.041 -163.25 -378.323 GPRESSURE: 909600 24.3736 -60.0783 56.5241 -86.3047 21.2649 -112.179 261.072 -32.2229 -386.233 PRESSAVG: 909600 -19.8774 -22.8148 28.0144 -22.8147 -1.90979 13.7723 28.0145 13.7723 17.8274 GPRESSAVG: 909600 -18.9441 -24.3514 26.1515 -21.8286 -1.88498 14.5637 30.8533 10.1963 17 TIMING: 909600 CPU: 2874.27, 0.00317387/step Wall: 2874.27, 0.00317387/step, 3.60622 hours remaining, 233.324219 MB of memory in use. ENERGY: 909600 4026.0981 20458.4882 14394.1920 246.2677 -203305.5415 2391.0883 0.0000 0.0000 52154.3430 -109635.0642 299.7317 -161789.4072 -109270.2581 299.0553 -145.2698 -113.5313 760368.1952 -1.3199 -1.2764 PRESSURE: 909800 -222.918 125.081 -314.695 125.081 -53.2116 -295.277 -314.694 -295.277 -124.185 GPRESSURE: 909800 -223.287 132.612 -270.72 205.476 -4.76936 -208.679 -210.99 -206.938 -97.0126 PRESSAVG: 909800 -20.9642 -22.6519 0.132362 -22.6519 67.482 23.0309 0.132396 23.0309 2.42714 GPRESSAVG: 909800 -20.4967 -22.4259 0.661317 -26.087 67.5739 22.6465 -1.4249 24.2338 2.39199 TIMING: 909800 CPU: 2874.9, 0.00314955/step Wall: 2874.9, 0.00314955/step, 3.57841 hours remaining, 233.324219 MB of memory in use. ENERGY: 909800 3982.6310 20623.7742 14434.1251 237.4216 -203780.8147 2760.3143 0.0000 0.0000 51918.3727 -109824.1757 298.3756 -161742.5484 -109459.8677 298.7801 -133.4383 -108.3562 762108.1385 16.3150 16.4897 PRESSURE: 910000 -62.6547 -286.473 15.4097 -286.473 -205.723 84.2806 15.4106 84.2814 -379.112 GPRESSURE: 910000 -72.6222 -298.041 -39.4862 -405.243 -163.064 39.5894 -85.3472 -4.72948 -303.089 PRESSAVG: 910000 -32.0142 33.5671 -37.8865 33.5671 -25.3013 -22.0692 -37.8865 -22.0692 13.8057 GPRESSAVG: 910000 -32.5508 32.9028 -40.0716 34.7456 -24.9672 -23.3998 -35.1376 -23.6684 14.1732 TIMING: 910000 CPU: 2875.53, 0.00313057/step Wall: 2875.53, 0.00313057/step, 3.55668 hours remaining, 233.324219 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: 910000 4044.2173 20613.5537 14491.2284 260.6995 -203681.1786 2757.2364 0.0000 0.0000 51807.4724 -109706.7709 297.7383 -161514.2434 -109352.5007 298.5751 -215.8298 -179.5916 761213.6016 -14.5032 -14.4483 PRESSURE: 910200 -235.568 -148.901 -148.52 -148.901 219.631 -28.7995 -148.519 -28.8003 -85.1547 GPRESSURE: 910200 -83.8405 -133.792 -161.808 -104.317 204.709 4.36001 -133.115 -36.5354 -120.068 PRESSAVG: 910200 8.50331 -15.4591 10.2342 -15.4591 24.3405 27.4563 10.2342 27.4564 18.0786 GPRESSAVG: 910200 8.97851 -15.3451 10.7267 -15.2358 24.5348 27.1033 9.24163 28.633 17.552 TIMING: 910200 CPU: 2876.16, 0.00315234/step Wall: 2876.16, 0.00315234/step, 3.58123 hours remaining, 233.324219 MB of memory in use. ENERGY: 910200 4009.1826 20448.4867 14454.0377 248.2961 -203465.5196 2665.0406 0.0000 0.0000 52203.1772 -109437.2988 300.0124 -161640.4761 -109060.7037 299.2884 -33.6973 0.2669 758504.1207 16.9742 17.0218 PRESSURE: 910400 -18.5234 57.1106 -82.6531 57.1105 4.38579 -59.0055 -82.6538 -59.0046 418.727 GPRESSURE: 910400 -24.425 127.532 -6.01933 130.244 78.203 -13.1418 -183.077 -115.796 436.943 PRESSAVG: 910400 4.65765 32.8337 -45.5874 32.8337 18.8715 21.7288 -45.5874 21.7288 17.3904 GPRESSAVG: 910400 3.62454 33.3253 -45.623 32.7164 18.9172 23.2718 -46.9727 20.3529 17.9921 TIMING: 910400 CPU: 2876.79, 0.00314153/step Wall: 2876.79, 0.00314153/step, 3.56878 hours remaining, 233.324219 MB of memory in use. ENERGY: 910400 3953.3849 20650.4846 14396.5647 235.9597 -203547.4936 2596.4862 0.0000 0.0000 52083.4657 -109631.1477 299.3244 -161714.6134 -109268.6004 299.0256 134.8630 163.5737 761642.2545 13.6399 13.5113 PRESSURE: 910600 149.835 260.948 172.198 260.948 185.961 -194.208 172.199 -194.209 17.6602 GPRESSURE: 910600 148.215 313.543 30.2024 221.711 222.615 -153.004 189.82 -82.4695 83.5296 PRESSAVG: 910600 -64.157 -10.9133 42.455 -10.9134 49.9915 -44.3826 42.455 -44.3826 -8.47951 GPRESSAVG: 910600 -63.8364 -10.8957 42.4295 -8.26379 51.2072 -44.3562 42.4047 -43.3015 -9.34925 TIMING: 910600 CPU: 2877.42, 0.00314313/step Wall: 2877.42, 0.00314313/step, 3.57042 hours remaining, 233.324219 MB of memory in use. ENERGY: 910600 3991.7200 20646.3739 14382.0045 247.1585 -204188.6806 3076.4119 0.0000 0.0000 52120.8857 -109724.1259 299.5394 -161845.0117 -109357.6173 298.9796 117.8189 151.4534 759632.8414 -7.5483 -7.3262 PRESSURE: 910800 36.1659 -71.9135 -220.557 -71.914 18.041 -76.1106 -220.557 -76.1103 193.36 GPRESSURE: 910800 60.6552 -97.7427 -137.817 -51.371 116.092 -86.2147 -228.022 -13.4333 152.934 PRESSAVG: 910800 -32.9571 14.0352 -34.5253 14.0352 3.87427 -44.6632 -34.5252 -44.6633 5.82549 GPRESSAVG: 910800 -32.9014 12.624 -33.8271 11.8402 3.88949 -45.7569 -34.6846 -42.0608 5.71855 TIMING: 910800 CPU: 2878.05, 0.00317056/step Wall: 2878.05, 0.00317056/step, 3.60141 hours remaining, 233.324219 MB of memory in use. ENERGY: 910800 4030.8352 20601.8869 14368.2425 255.5674 -203506.2627 2679.5282 0.0000 0.0000 51747.3430 -109822.8594 297.3927 -161570.2024 -109469.5986 298.3953 82.5223 109.8937 759893.8528 -7.7525 -7.7645 PRESSURE: 911000 -229.731 -2.74794 91.9906 -2.74858 -186.613 -24.1631 91.9898 -24.1629 -4.72425 GPRESSURE: 911000 -141.863 0.915895 73.5373 1.73078 -213.72 -66.9862 36.8293 -120.505 25.5242 PRESSAVG: 911000 -92.4942 -17.33 -18.1207 -17.3301 87.9136 -45.8549 -18.1207 -45.8549 21.7758 GPRESSAVG: 911000 -92.0868 -14.4537 -17.7686 -18.6411 86.4124 -47.596 -17.6116 -48.3267 22.6103 TIMING: 911000 CPU: 2878.68, 0.00316431/step Wall: 2878.68, 0.00316431/step, 3.59413 hours remaining, 233.324219 MB of memory in use. ENERGY: 911000 4063.8207 20332.7848 14419.1553 240.9054 -203265.9006 2497.1724 0.0000 0.0000 52019.1099 -109692.9520 298.9545 -161712.0619 -109324.2380 298.4458 -140.3559 -110.0196 762188.5101 5.7317 5.6453 PRESSURE: 911200 137.165 -28.6836 -137.576 -28.6842 44.1911 132.937 -137.576 132.936 41.7158 GPRESSURE: 911200 183.328 -3.17231 -87.3365 -89.787 95.8419 101.233 15.1839 102.388 21.4937 PRESSAVG: 911200 -33.6763 29.611 -28.6674 29.611 0.134519 -11.3215 -28.6674 -11.3215 -21.8062 GPRESSAVG: 911200 -34.3044 28.3546 -27.3438 29.6031 1.037 -9.43329 -30.9978 -11.1485 -22.5505 TIMING: 911200 CPU: 2879.32, 0.00316244/step Wall: 2879.32, 0.00316244/step, 3.59183 hours remaining, 233.324219 MB of memory in use. ENERGY: 911200 3997.0195 20568.8061 14343.0164 251.5529 -203629.5262 2894.4402 0.0000 0.0000 51793.0609 -109781.6303 297.6554 -161574.6912 -109415.0972 298.6961 74.3574 100.2211 762551.3278 -18.4493 -18.6060 PRESSURE: 911400 -10.6932 -1.14138 -55.9808 -1.14175 -72.1533 9.25337 -55.9817 9.25257 -107.182 GPRESSURE: 911400 -0.727132 -23.789 -89.1741 -54.1668 -74.4147 14.4956 -62.8788 -35.5893 -29.0227 PRESSAVG: 911400 -7.22036 29.4188 0.32805 29.4188 12.906 23.3366 0.328022 23.3366 -5.55221 GPRESSAVG: 911400 -6.68202 31.1291 -1.27266 30.8672 12.268 22.371 2.61456 23.7038 -5.81963 TIMING: 911400 CPU: 2879.94, 0.00314671/step Wall: 2879.94, 0.00314671/step, 3.57379 hours remaining, 233.324219 MB of memory in use. ENERGY: 911400 4002.8059 20397.1271 14431.6062 239.0190 -203744.2546 2755.0954 0.0000 0.0000 52195.4972 -109723.1038 299.9682 -161918.6009 -109355.1618 298.6001 -63.3429 -34.7215 761227.2023 0.0445 -0.0779 PRESSURE: 911600 -217.588 12.6203 -54.9934 12.6201 -90.6175 -86.4763 -54.9932 -86.4757 -242.915 GPRESSURE: 911600 -160.534 39.4197 10.7379 -55.5275 -84.1293 -110.304 -71.3465 11.7309 -201.943 PRESSAVG: 911600 -4.44726 -52.8414 62.4301 -52.8413 -26.8753 43.5669 62.4302 43.5668 14.4236 GPRESSAVG: 911600 -5.89704 -53.4395 63.7085 -54.3364 -25.1848 43.7845 60.765 44.9112 14.3332 TIMING: 911600 CPU: 2880.58, 0.00315401/step Wall: 2880.58, 0.00315401/step, 3.5819 hours remaining, 233.324219 MB of memory in use. ENERGY: 911600 3991.8684 20634.4803 14407.2954 261.1611 -203791.7859 2782.5796 0.0000 0.0000 52027.2675 -109687.1337 299.0014 -161714.4012 -109317.7158 298.5318 -183.7068 -148.8686 762319.1145 -5.6330 -5.5829 PRESSURE: 911800 -325.904 110.131 -68.7127 110.132 -270.436 -0.79805 -68.7128 -0.797918 169.405 GPRESSURE: 911800 -177.842 146.988 -74.7081 121.632 -238.417 -77.5513 -139.391 -110.355 66.8477 PRESSAVG: 911800 -23.295 -37.0675 24.0269 -37.0675 -39.1211 41.2187 24.0269 41.2187 -3.29097 GPRESSAVG: 911800 -22.6204 -36.4223 22.1787 -36.4329 -40.2402 41.7261 22.7324 39.6235 -3.50761 TIMING: 911800 CPU: 2881.2, 0.00312954/step Wall: 2881.2, 0.00312954/step, 3.55394 hours remaining, 233.324219 MB of memory in use. ENERGY: 911800 4063.6738 20518.3859 14430.7725 225.1255 -203356.5258 2599.8773 0.0000 0.0000 51966.6546 -109552.0361 298.6531 -161518.6907 -109188.0191 298.6884 -142.3114 -116.4702 761723.9679 -21.9024 -22.1227 PRESSURE: 912000 92.2741 -60.033 -219.259 -60.0332 -297.398 -320.916 -219.258 -320.916 206.872 GPRESSURE: 912000 47.7688 -207.352 -143.963 -94.5808 -191.123 -313.358 -276.659 -426.645 207.388 PRESSAVG: 912000 -21.3869 23.9095 29.8426 23.9094 33.2548 -39.5813 29.8427 -39.5813 4.5883 GPRESSAVG: 912000 -22.5253 22.9404 30.2134 23.4308 33.5533 -40.4925 31.1197 -40.5408 5.33189 TIMING: 912000 CPU: 2881.83, 0.00315922/step Wall: 2881.83, 0.00315922/step, 3.58747 hours remaining, 233.324219 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: 912000 3997.8472 20701.4042 14469.9283 244.5639 -203502.7248 2595.7655 0.0000 0.0000 52044.0110 -109449.2047 299.0976 -161493.2157 -109100.4988 299.2554 0.5829 21.3447 761111.7893 5.4854 5.4533 PRESSURE: 912200 167.564 210.991 331.809 210.992 324.035 -107.659 331.81 -107.66 125.967 GPRESSURE: 912200 283.672 186.768 340.916 205.961 317.962 -70.8382 346.533 -4.75117 101.717 PRESSAVG: 912200 -42.1722 95.2683 -13.4288 95.2683 87.2388 -16.3458 -13.4289 -16.3458 14.2908 GPRESSAVG: 912200 -40.537 95.5971 -13.1869 94.9772 86.3373 -16.2674 -13.0335 -14.0617 13.7157 TIMING: 912200 CPU: 2882.46, 0.00315408/step Wall: 2882.46, 0.00315408/step, 3.58146 hours remaining, 233.324219 MB of memory in use. ENERGY: 912200 4047.0737 20520.3882 14484.0548 250.6466 -204008.6496 3080.2570 0.0000 0.0000 52436.0283 -109190.2010 301.3506 -161626.2294 -108838.9809 299.7445 205.8554 234.4506 760998.6055 19.7858 19.8387 LDB: ============= START OF LOAD BALANCING ============== 2894.99 LDB: ============== END OF LOAD BALANCING =============== 2894.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2895 LDB: ============= START OF LOAD BALANCING ============== 2895.31 LDB: Largest compute 7058 load 0.030843 is 15.8% of average load 0.195291 LDB: Average compute 0.004392 is 2.2% of average load 0.195291 LDB: TIME 2895.31 LOAD: AVG 0.195291 MAX 0.218066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.359 MB LDB: TIME 2895.31 LOAD: AVG 0.195291 MAX 0.218066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: TIME 2895.31 LOAD: AVG 0.195291 MAX 0.216084 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.359 MB LDB: ============== END OF LOAD BALANCING =============== 2895.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2895.32 PRESSURE: 912400 22.2758 -39.2243 52.6576 -39.2254 -367.636 110.371 52.6568 110.37 247.517 GPRESSURE: 912400 -21.8206 -56.5372 52.0755 76.2712 -324.785 169.807 -52.4489 134.525 315.418 PRESSAVG: 912400 -10.9867 9.75057 41.4694 9.75055 3.0189 0.608046 41.4694 0.608096 3.62532 GPRESSAVG: 912400 -12.3153 9.38174 43.9848 11.3751 3.48418 1.90636 38.7484 -0.0318442 3.91303 TIMING: 912400 CPU: 2883.1, 0.00319286/step Wall: 2883.1, 0.00319286/step, 3.62531 hours remaining, 233.382812 MB of memory in use. ENERGY: 912400 4037.4021 20603.0877 14503.9290 248.3332 -203549.3328 2756.6393 0.0000 0.0000 52206.9255 -109193.0160 300.0339 -161399.9415 -108812.3562 299.7638 -32.6143 -10.3961 762298.8711 -1.4475 -1.6394 PRESSURE: 912600 -212.172 89.5382 -152.342 89.5382 -114.278 -252.726 -152.343 -252.726 293.678 GPRESSURE: 912600 -132.512 80.8215 -141.095 144.826 -46.8307 -216.149 -64.4727 -225.094 251.889 PRESSAVG: 912600 -16.4307 13.4531 15.5716 13.4532 0.793528 -22.1842 15.5715 -22.1842 4.83255 GPRESSAVG: 912600 -15.4318 14.5222 12.9206 13.4993 1.11218 -22.0879 16.1235 -23.5715 3.74864 TIMING: 912600 CPU: 2883.73, 0.00313555/step Wall: 2883.73, 0.00313555/step, 3.56006 hours remaining, 233.585938 MB of memory in use. ENERGY: 912600 3951.5809 20589.1563 14434.9890 242.9636 -202981.2147 2594.3677 0.0000 0.0000 52077.7518 -109090.4053 299.2916 -161168.1571 -108745.5661 299.3735 -10.9241 24.1821 763339.6374 -3.6015 -3.5237 PRESSURE: 912800 360.776 127.647 37.9687 127.647 -56.8238 -51.3047 37.9678 -51.3048 -48.6864 GPRESSURE: 912800 317.961 247.583 68.5322 162.965 64.9734 -48.4317 -3.35561 -5.00984 -47.7024 PRESSAVG: 912800 -45.1013 4.78574 -32.104 4.78578 28.6978 31.114 -32.104 31.1141 15.5632 GPRESSAVG: 912800 -46.7123 4.32371 -30.9191 4.88703 29.6349 31.9975 -31.652 31.8557 16.0983 TIMING: 912800 CPU: 2884.36, 0.00314545/step Wall: 2884.36, 0.00314545/step, 3.57114 hours remaining, 233.585938 MB of memory in use. ENERGY: 912800 4011.2651 20478.5604 14469.6423 252.7245 -203416.2745 2806.6011 0.0000 0.0000 52370.7490 -109026.7321 300.9754 -161397.4811 -108653.3590 299.5246 85.0886 111.7440 763450.8212 -0.2801 -0.3264 PRESSURE: 913000 -296.798 -116.659 117.076 -116.66 37.0367 116.287 117.075 116.288 338.192 GPRESSURE: 913000 -280.418 -28.0806 169.785 -150.734 56.6999 43.6035 90.6367 198.042 380.884 PRESSAVG: 913000 7.6175 -10.8616 -13.015 -10.8617 38.8572 53.2093 -13.0151 53.2093 -20.279 GPRESSAVG: 913000 7.44719 -11.7797 -12.9447 -12.7351 38.5639 52.4442 -13.5208 54.255 -19.8798 TIMING: 913000 CPU: 2884.99, 0.00315208/step Wall: 2884.99, 0.00315208/step, 3.57848 hours remaining, 233.585938 MB of memory in use. ENERGY: 913000 4047.1253 20553.4954 14493.8848 249.0007 -203495.2852 2846.9716 0.0000 0.0000 52223.6501 -109081.1574 300.1300 -161304.8075 -108716.0485 300.1951 26.1436 52.3884 762250.1006 8.7319 8.7104 PRESSURE: 913200 -59.2693 119.933 20.2632 119.932 -381.513 173.565 20.2637 173.565 -104.511 GPRESSURE: 913200 -11.2195 144.708 -7.00146 217.309 -331.772 120.922 51.9221 95.8067 -95.7664 PRESSAVG: 913200 -19.7569 42.5783 -4.93749 42.5784 -28.5422 57.3257 -4.93749 57.3256 -18.4567 GPRESSAVG: 913200 -19.2805 41.7627 -6.45415 41.7635 -30.7511 57.1493 -1.40366 56.328 -17.0807 TIMING: 913200 CPU: 2885.62, 0.0031439/step Wall: 2885.62, 0.00314389/step, 3.56902 hours remaining, 233.585938 MB of memory in use. ENERGY: 913200 3972.3345 20589.4628 14531.8615 241.9934 -203383.1049 2624.7965 0.0000 0.0000 52211.3257 -109211.3305 300.0592 -161422.6562 -108853.9554 299.9320 -181.7643 -146.2527 760971.1815 -22.2519 -22.3707 PRESSURE: 913400 -8.98948 120.978 -13.0567 120.979 216.761 -3.49862 -13.0569 -3.49855 -104.983 GPRESSURE: 913400 -24.932 117.496 -31.4074 56.316 362.782 65.8762 -94.733 -167.052 -138.196 PRESSAVG: 913400 4.33107 -38.0487 -25.6784 -38.0488 -11.3078 23.9571 -25.6784 23.9571 -7.28872 GPRESSAVG: 913400 3.92142 -37.6234 -25.8942 -37.2947 -9.71363 23.3941 -25.9709 24.6835 -9.09653 TIMING: 913400 CPU: 2886.25, 0.00315363/step Wall: 2886.25, 0.00315363/step, 3.5799 hours remaining, 233.585938 MB of memory in use. ENERGY: 913400 4004.7605 20427.1013 14435.1939 231.3655 -203687.4886 2978.3726 0.0000 0.0000 52181.5459 -109429.1488 299.8881 -161610.6947 -109060.9340 299.4315 34.2628 66.5515 761393.8901 -4.7551 -4.9629 PRESSURE: 913600 -166.908 -116.532 401.169 -116.532 -14.0098 10.067 401.168 10.0671 -324.532 GPRESSURE: 913600 -159.617 -76.6804 379.38 -130.552 9.93824 -29.6713 383.468 -26.8006 -263.15 PRESSAVG: 913600 -1.36818 1.25198 5.47117 1.25193 17.4747 -86.7403 5.47115 -86.7403 18.3285 GPRESSAVG: 913600 -0.411467 2.64463 6.34887 2.94208 16.9157 -86.9169 3.38469 -87.0283 18.6117 TIMING: 913600 CPU: 2886.89, 0.00318287/step Wall: 2886.89, 0.00318287/step, 3.61291 hours remaining, 233.585938 MB of memory in use. ENERGY: 913600 3969.3265 20548.8166 14449.4132 262.5713 -203465.3608 2757.9366 0.0000 0.0000 51965.1900 -109512.1067 298.6447 -161477.2967 -109161.8924 298.7204 -168.4833 -137.6096 761525.4072 11.4784 11.7053 PRESSURE: 913800 64.8504 -36.795 -62.1666 -36.7957 -29.4556 213.133 -62.1662 213.132 -162.448 GPRESSURE: 913800 150.017 7.56753 -4.61 -60.3142 -88.1521 274.686 -117.564 208.13 -112.825 PRESSAVG: 913800 -14.5721 4.97261 -12.3966 4.97264 37.0531 12.3664 -12.3966 12.3664 -11.2988 GPRESSAVG: 913800 -15.2779 2.62669 -14.6973 4.50104 37.9485 13.2305 -9.83538 12.0897 -12.144 TIMING: 913800 CPU: 2887.52, 0.00314871/step Wall: 2887.52, 0.00314871/step, 3.57396 hours remaining, 233.585938 MB of memory in use. ENERGY: 913800 3942.7831 20479.5499 14475.7244 242.9356 -203588.3007 2900.1109 0.0000 0.0000 52184.9233 -109362.2735 299.9075 -161547.1968 -108997.4822 298.8536 -42.3511 -16.9866 762553.3241 3.7274 3.5089 PRESSURE: 914000 -180.933 243.672 239.756 243.671 -210.087 145.135 239.756 145.136 -412.032 GPRESSURE: 914000 -45.3379 151.372 241.869 204.972 -257.622 94.1831 174.666 210.672 -419.174 PRESSAVG: 914000 -16.0037 -1.49933 -17.7494 -1.49932 45.3645 39.8478 -17.7494 39.8478 -2.63829 GPRESSAVG: 914000 -15.7717 0.740611 -14.6629 -2.44649 45.473 40.2447 -19.3052 40.0732 -2.40667 TIMING: 914000 CPU: 2888.15, 0.00315286/step Wall: 2888.15, 0.00315286/step, 3.57849 hours remaining, 233.585938 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: 914000 4028.0501 20441.2233 14443.3652 241.6427 -203130.3523 2479.0186 0.0000 0.0000 52041.5148 -109455.5377 299.0833 -161497.0524 -109087.4651 299.3933 -267.6839 -240.7112 763503.3082 8.9075 9.0982 PRESSURE: 914200 -206.564 -5.56425 121.977 -5.56373 103.249 -128.968 121.976 -128.967 366.395 GPRESSURE: 914200 -198.135 -3.02899 97.1737 -12.7891 60.3713 -97.7315 120.509 -91.1581 460.797 PRESSAVG: 914200 10.6293 16.0211 -23.484 16.0212 -7.42674 -2.51557 -23.4839 -2.51557 -10.8595 GPRESSAVG: 914200 11.4021 15.7746 -23.7348 15.2569 -8.67147 -3.74455 -22.374 -0.523887 -10.2351 TIMING: 914200 CPU: 2888.77, 0.00313268/step Wall: 2888.77, 0.00313268/step, 3.55542 hours remaining, 233.585938 MB of memory in use. ENERGY: 914200 4002.8635 20670.5483 14483.5721 232.4179 -203371.8097 2655.5708 0.0000 0.0000 51901.9497 -109424.8874 298.2812 -161326.8371 -109065.9674 298.9170 87.6930 107.6778 760396.0362 -2.5523 -2.5015 PRESSURE: 914400 322.926 -1.72833 190.306 -1.72835 31.2454 97.2725 190.306 97.2732 -112.257 GPRESSURE: 914400 295.605 -11.1096 165.869 1.00894 157.093 79.9789 179.623 113.207 -144.723 PRESSAVG: 914400 -18.4565 21.0522 -42.3239 21.0522 4.4289 92.7462 -42.3239 92.7461 11.6498 GPRESSAVG: 914400 -18.1384 20.5784 -43.1723 23.8207 4.39726 94.1433 -43.2299 93.3314 11.7517 TIMING: 914400 CPU: 2889.4, 0.00312045/step Wall: 2889.4, 0.00312045/step, 3.54136 hours remaining, 233.585938 MB of memory in use. ENERGY: 914400 3975.2812 20568.7845 14446.1453 237.3192 -203144.6703 2678.9104 0.0000 0.0000 52164.5403 -109073.6894 299.7903 -161238.2297 -108712.4640 299.5062 80.6379 102.6585 759927.4621 -0.7926 -0.6631 PRESSURE: 914600 -227.631 -128.107 100.034 -128.107 -115.321 111.831 100.034 111.831 73.6655 GPRESSURE: 914600 -152.919 -128.972 138.159 -201.084 -71.5634 147.387 8.80525 74.153 64.0476 PRESSAVG: 914600 -21.9696 -23.1892 31.8204 -23.1891 10.2829 37.0809 31.8204 37.0809 8.23548 GPRESSAVG: 914600 -20.2973 -22.1864 32.5788 -26.751 9.97661 35.6437 29.5452 33.9309 7.2302 TIMING: 914600 CPU: 2890.02, 0.00313974/step Wall: 2890.02, 0.00313974/step, 3.56309 hours remaining, 233.585938 MB of memory in use. ENERGY: 914600 4018.5338 20506.1641 14406.2344 248.9068 -202738.6328 2366.8902 0.0000 0.0000 52203.9359 -108987.9676 300.0167 -161191.9035 -108623.4935 299.8178 -89.7624 -53.4784 760398.1681 -1.1504 -1.0302 PRESSURE: 914800 -15.5295 102.459 -323.235 102.46 84.3274 -101.316 -323.235 -101.315 -29.6079 GPRESSURE: 914800 37.6005 69.9373 -235.182 -69.6152 147.051 -145.188 -368.517 -121.57 -46.421 PRESSAVG: 914800 25.3842 -42.0185 -19.7688 -42.0185 -10.9956 1.43485 -19.7687 1.43487 3.14798 GPRESSAVG: 914800 24.2038 -42.3906 -20.7672 -40.6582 -9.81447 2.3495 -17.9752 4.87645 3.28587 TIMING: 914800 CPU: 2890.65, 0.00314865/step Wall: 2890.65, 0.00314865/step, 3.57301 hours remaining, 233.585938 MB of memory in use. ENERGY: 914800 4144.7670 20300.1192 14580.3437 244.4735 -203205.0683 2442.0604 0.0000 0.0000 52234.9800 -109258.3245 300.1951 -161493.3045 -108889.7881 299.6557 13.0634 46.0769 759818.9945 5.8455 5.8917 PRESSURE: 915000 -9.66515 -174.924 30.52 -174.924 224.576 68.7024 30.5201 68.7019 115.99 GPRESSURE: 915000 48.3292 -96.6989 -44.6117 -97.5428 214.867 127.392 2.01689 5.68168 179.856 PRESSAVG: 915000 -10.3498 33.0934 3.9259 33.0934 25.6054 74.016 3.92589 74.0161 36.2383 GPRESSAVG: 915000 -11.1999 33.5324 3.64151 33.3287 25.4658 73.3512 6.13803 72.9384 37.0186 TIMING: 915000 CPU: 2891.29, 0.00316092/step Wall: 2891.29, 0.00316092/step, 3.58677 hours remaining, 233.585938 MB of memory in use. ENERGY: 915000 4036.5253 20566.7675 14455.4686 273.5502 -203330.6009 2915.5097 0.0000 0.0000 52047.0315 -109035.7483 299.1150 -161082.7797 -108684.3984 299.2350 110.3002 147.6842 759819.9962 17.1647 17.0948 PRESSURE: 915200 28.1821 4.06932 -88.8494 4.06881 -115.103 -3.89782 -88.8496 -3.89683 -489.227 GPRESSURE: 915200 60.5199 -49.6834 29.1834 -91.6816 -163.249 67.9096 -258.685 -32.062 -384.084 PRESSAVG: 915200 19.5272 -21.2073 -44.2948 -21.2072 -11.5823 6.38937 -44.2948 6.38937 -17.8307 GPRESSAVG: 915200 19.4868 -22.2122 -41.8517 -21.1839 -11.7872 8.1601 -47.4462 3.43443 -17.5876 TIMING: 915200 CPU: 2891.92, 0.00317135/step Wall: 2891.92, 0.00317135/step, 3.59843 hours remaining, 233.585938 MB of memory in use. ENERGY: 915200 4044.2962 20404.1260 14464.4318 254.2832 -202803.6971 2459.8870 0.0000 0.0000 52079.0962 -109097.5767 299.2993 -161176.6729 -108738.5855 299.9081 -192.0492 -162.2713 761600.6934 -3.2953 -3.2960 PRESSURE: 915400 -161.853 24.5943 59.5225 24.5943 -237.857 44.7259 59.522 44.7268 50.7785 GPRESSURE: 915400 -49.9336 -79.4631 90.207 14.5155 -194.123 62.8859 70.2583 47.566 -6.97647 PRESSAVG: 915400 12.9847 4.17397 -9.98121 4.17395 -20.6711 15.0673 -9.98117 15.0672 -19.3108 GPRESSAVG: 915400 13.0885 3.06611 -12.5488 5.73785 -21.3375 14.065 -8.80074 17.2652 -18.8937 TIMING: 915400 CPU: 2892.56, 0.00319586/step Wall: 2892.56, 0.00319586/step, 3.62606 hours remaining, 233.585938 MB of memory in use. ENERGY: 915400 4081.1295 20433.6367 14475.5897 259.3739 -202634.9308 2246.8921 0.0000 0.0000 52266.2537 -108872.0553 300.3749 -161138.3090 -108505.0315 299.6803 -116.3106 -83.6778 761463.3241 -8.9991 -9.0476 PRESSURE: 915600 110.98 2.37937 158.21 2.37923 -344.629 -179.662 158.21 -179.662 -482.969 GPRESSURE: 915600 116.732 37.3134 170.435 -94.4028 -353.803 -229.196 105.12 -132.414 -390.758 PRESSAVG: 915600 49.3822 15.635 14.9779 15.6349 -4.37298 -21.3262 14.978 -21.3261 12.9476 GPRESSAVG: 915600 49.7623 17.2789 16.6168 12.5554 -3.88386 -21.7149 15.9674 -20.5517 12.4954 TIMING: 915600 CPU: 2893.19, 0.00315571/step Wall: 2893.19, 0.00315571/step, 3.58033 hours remaining, 233.585938 MB of memory in use. ENERGY: 915600 3979.3105 20558.9916 14431.7986 244.0190 -203177.0568 2594.3513 0.0000 0.0000 52230.3062 -109138.2795 300.1683 -161368.5858 -108774.7049 299.9287 -238.8729 -209.2763 762529.4120 19.3190 19.4580 PRESSURE: 915800 359.849 -1.54204 -29.1735 -1.54185 222.275 18.893 -29.1737 18.8924 -192.408 GPRESSURE: 915800 362.187 -21.3021 -127.571 19.5394 233.131 2.40643 19.1697 86.7565 -134.313 PRESSAVG: 915800 85.0012 91.0554 19.5299 91.0554 -77.894 -23.0128 19.5299 -23.0128 0.699045 GPRESSAVG: 915800 84.4031 88.9133 17.4753 93.966 -77.5464 -23.1084 20.717 -23.079 0.598218 TIMING: 915800 CPU: 2893.82, 0.00315708/step Wall: 2893.82, 0.00315708/step, 3.58171 hours remaining, 233.585938 MB of memory in use. ENERGY: 915800 4014.2220 20546.1188 14519.4194 252.7827 -203438.0446 2957.8233 0.0000 0.0000 51974.5943 -109173.0841 298.6987 -161147.6784 -108812.0339 299.2467 129.9052 153.6683 763299.6545 2.6021 2.4850 PRESSURE: 916000 115.569 113.247 -22.1262 113.246 -37.4671 -240.162 -22.1261 -240.161 -6.60788 GPRESSURE: 916000 216.123 262.974 179.893 131.306 8.18655 -205.186 6.73757 -173.939 -75.1204 PRESSAVG: 916000 -15.398 42.0137 -3.95702 42.0137 0.291044 -7.28206 -3.95698 -7.28206 10.0801 GPRESSAVG: 916000 -14.4518 44.7067 -2.30999 41.0701 -0.190818 -7.51833 -4.84775 -5.88846 9.33924 TIMING: 916000 CPU: 2894.46, 0.00316932/step Wall: 2894.46, 0.00316931/step, 3.59541 hours remaining, 233.585938 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: 916000 3961.0333 20457.1406 14490.9927 231.8430 -203255.7854 2715.3499 0.0000 0.0000 52230.4099 -109169.0160 300.1689 -161399.4259 -108811.6140 299.1306 23.8315 49.7298 762638.6645 -1.6756 -1.7678 PRESSURE: 916200 -345.141 39.9883 -85.5173 39.9874 -334.227 -44.1366 -85.5181 -44.1361 -364.551 GPRESSURE: 916200 -264.366 74.993 -35.5444 -37.087 -298.023 -44.0312 -35.9998 -73.068 -414.291 PRESSAVG: 916200 -20.5161 35.7812 13.8767 35.7812 1.92448 -33.449 13.8767 -33.449 -9.53787 GPRESSAVG: 916200 -20.8442 35.1548 13.7728 35.8206 1.47814 -32.7613 15.7495 -34.2805 -9.06428 TIMING: 916200 CPU: 2895.09, 0.00314813/step Wall: 2895.09, 0.00314813/step, 3.57121 hours remaining, 233.585938 MB of memory in use. ENERGY: 916200 3998.9732 20515.1253 14439.6812 259.1885 -202718.2778 2210.9739 0.0000 0.0000 52350.5936 -108943.7421 300.8596 -161294.3358 -108576.8829 299.9397 -347.9731 -325.5603 762668.4163 -9.3765 -9.4768 LDB: ============= START OF LOAD BALANCING ============== 2907.62 LDB: ============== END OF LOAD BALANCING =============== 2907.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2907.62 LDB: ============= START OF LOAD BALANCING ============== 2907.94 LDB: Largest compute 7078 load 0.031339 is 16.0% of average load 0.195323 LDB: Average compute 0.004404 is 2.3% of average load 0.195323 LDB: TIME 2907.94 LOAD: AVG 0.195323 MAX 0.213815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.383 MB LDB: TIME 2907.94 LOAD: AVG 0.195323 MAX 0.213815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.586 MB LDB: TIME 2907.94 LOAD: AVG 0.195323 MAX 0.213815 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.586 MB LDB: ============== END OF LOAD BALANCING =============== 2907.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2907.95 PRESSURE: 916400 69.1808 -213.572 -226.072 -213.571 -17.9946 -259.834 -226.071 -259.834 -84.329 GPRESSURE: 916400 106.021 -135.013 -193.234 -163.445 37.5822 -247.403 -389.186 -99.2725 -90.2748 PRESSAVG: 916400 15.8717 -70.7165 -27.2731 -70.7164 -5.00787 33.9043 -27.273 33.9044 1.80181 GPRESSAVG: 916400 14.6099 -70.4242 -26.8709 -69.5204 -3.93874 34.2919 -27.0215 31.7995 1.67534 TIMING: 916400 CPU: 2895.73, 0.00322451/step Wall: 2895.73, 0.0032245/step, 3.65766 hours remaining, 232.929688 MB of memory in use. ENERGY: 916400 4048.6497 20413.7113 14475.4459 233.7883 -202990.1487 2450.0215 0.0000 0.0000 52189.2057 -109179.3264 299.9321 -161368.5321 -108803.3619 299.8436 -11.0476 17.7763 763427.5923 4.2219 4.1155 PRESSURE: 916600 106.363 -142.211 2.52451 -142.211 72.2698 174.743 2.52374 174.742 294.971 GPRESSURE: 916600 52.1171 -84.1389 -73.221 -248.134 157.269 152.396 4.35352 202.427 356.566 PRESSAVG: 916600 60.6581 28.0248 -8.27637 28.0248 -88.0464 15.8715 -8.2763 15.8714 5.79565 GPRESSAVG: 916600 60.1949 27.8408 -8.09922 27.2466 -88.3384 14.622 -10.7838 16.6157 6.37258 TIMING: 916600 CPU: 2896.36, 0.0031684/step Wall: 2896.36, 0.0031684/step, 3.59384 hours remaining, 232.929688 MB of memory in use. ENERGY: 916600 4050.3051 20516.7075 14417.8510 239.6272 -203344.8553 2590.4014 0.0000 0.0000 52233.2163 -109296.7468 300.1850 -161529.9631 -108943.7962 299.7693 157.8679 188.6505 759381.4190 -7.1975 -7.2570 PRESSURE: 916800 -182.448 196.631 72.9958 196.631 -107.178 35.8336 72.9963 35.8349 -280.721 GPRESSURE: 916800 -113.69 268.211 53.3376 28.701 -39.6612 -23.2934 132.285 -5.11693 -348.206 PRESSAVG: 916800 62.7977 30.5752 0.218458 30.5752 -28.0641 -31.4458 0.218469 -31.4458 -2.11495 GPRESSAVG: 916800 64.2201 29.4887 -1.0988 31.6141 -29.0067 -31.085 1.96054 -29.3592 -2.9461 TIMING: 916800 CPU: 2896.99, 0.00314273/step Wall: 2896.99, 0.00314273/step, 3.56455 hours remaining, 232.929688 MB of memory in use. ENERGY: 916800 4028.7669 20552.9964 14472.8753 237.4930 -203639.8645 2681.1660 0.0000 0.0000 52395.6016 -109270.9654 301.1182 -161666.5670 -108901.7327 299.8178 -190.1153 -167.1857 760137.2317 10.8729 10.7558 PRESSURE: 917000 -366.019 112.536 -97.6185 112.535 -311.597 -45.1997 -97.6181 -45.1998 -264.466 GPRESSURE: 917000 -291.287 16.4206 -27.8245 40.6283 -271.79 -1.79643 -70.1967 -136.749 -296.299 PRESSAVG: 917000 27.2028 53.3636 49.4454 53.3636 -39.5551 -26.9738 49.4453 -26.9738 18.6831 GPRESSAVG: 917000 26.0587 53.0902 49.3173 51.3583 -39.4932 -28.2607 50.4478 -27.6024 19.8269 TIMING: 917000 CPU: 2897.62, 0.00315356/step Wall: 2897.62, 0.00315356/step, 3.57667 hours remaining, 232.929688 MB of memory in use. ENERGY: 917000 4044.8685 20730.7243 14395.2798 253.3335 -203560.7956 2720.6115 0.0000 0.0000 51890.8709 -109525.1072 298.2175 -161415.9780 -109156.8000 299.6537 -314.0273 -286.4585 763916.1335 2.1103 2.1308 PRESSURE: 917200 -176.495 31.4202 -162.242 31.4204 -164.349 -78.6737 -162.242 -78.6731 147.432 GPRESSURE: 917200 -117.245 82.056 -179.301 115.048 -127.987 -125.02 -141.478 -91.5035 137.575 PRESSAVG: 917200 40.5965 41.302 -25.6781 41.302 -36.3379 -51.2882 -25.678 -51.2884 10.4568 GPRESSAVG: 917200 41.3146 42.3849 -25.4522 41.1228 -36.1459 -47.9624 -25.6555 -51.6378 9.97976 TIMING: 917200 CPU: 2898.26, 0.00318127/step Wall: 2898.26, 0.00318127/step, 3.60791 hours remaining, 232.929688 MB of memory in use. ENERGY: 917200 3965.5807 20695.0989 14438.1283 244.8760 -203242.4746 2559.2466 0.0000 0.0000 52099.1621 -109240.3820 299.4146 -161339.5441 -108877.7392 299.4338 -64.4704 -35.8856 762390.6017 4.9052 5.0495 PRESSURE: 917400 -293.657 132.627 -223.985 132.627 -45.4023 -5.23836 -223.985 -5.23858 -20.34 GPRESSURE: 917400 -283.304 88.0336 -233.509 269.221 -24.2817 -40.4278 -229.136 -26.5355 39.7713 PRESSAVG: 917400 12.8874 45.731 -23.9646 45.731 -15.2089 13.1688 -23.9647 13.1688 -11.6802 GPRESSAVG: 917400 12.5742 45.6767 -23.5665 44.8943 -16.1949 12.5131 -25.5879 15.4115 -10.9802 TIMING: 917400 CPU: 2898.89, 0.0031753/step Wall: 2898.89, 0.0031753/step, 3.60096 hours remaining, 232.929688 MB of memory in use. ENERGY: 917400 4051.2886 20514.9086 14485.0880 225.7375 -203479.3882 2659.1564 0.0000 0.0000 52272.7771 -109270.4320 300.4124 -161543.2091 -108905.7579 299.4325 -119.8000 -89.2714 761886.7631 -4.6672 -4.8670 PRESSURE: 917600 -248.867 -34.9859 154.581 -34.9859 -314.337 40.4135 154.58 40.4136 -233.767 GPRESSURE: 917600 -188.349 -49.351 203.741 2.90291 -271.102 -16.8763 125.499 193.265 -240.271 PRESSAVG: 917600 -44.1969 23.1065 25.0406 23.1066 43.3939 62.9331 25.0405 62.9331 -15.8527 GPRESSAVG: 917600 -44.69 23.4438 27.4757 24.5326 44.1535 62.4991 25.9819 60.2948 -15.6625 TIMING: 917600 CPU: 2899.53, 0.00317473/step Wall: 2899.53, 0.00317473/step, 3.60015 hours remaining, 232.929688 MB of memory in use. ENERGY: 917600 4027.8867 20622.5698 14460.3385 234.5576 -203014.3364 2482.4088 0.0000 0.0000 51740.6630 -109445.9120 297.3543 -161186.5749 -109098.4981 299.2127 -265.6571 -233.2406 762794.5372 -5.5519 -5.3997 PRESSURE: 917800 226.479 43.617 -36.3071 43.6172 -16.2038 16.513 -36.3071 16.5132 -306.997 GPRESSURE: 917800 195.022 -14.4278 -24.3908 47.1364 133.971 -14.248 -134.27 57.9097 -337.791 PRESSAVG: 917800 -28.7099 29.1281 -5.72077 29.1281 8.86834 41.638 -5.7208 41.6378 13.281 GPRESSAVG: 917800 -28.6306 29.1734 -6.96166 28.9281 9.40347 41.2126 -6.52364 42.1233 12.7717 TIMING: 917800 CPU: 2900.16, 0.00315877/step Wall: 2900.16, 0.00315877/step, 3.58187 hours remaining, 232.929688 MB of memory in use. ENERGY: 917800 3864.6950 20585.9388 14456.6611 242.9097 -203782.7457 2951.3018 0.0000 0.0000 52085.2991 -109595.9403 299.3349 -161681.2394 -109234.1312 298.8064 -32.2404 -2.9327 761056.9474 -2.1868 -2.1518 PRESSURE: 918000 276.539 -37.6662 -93.3343 -37.6671 -151.788 43.6275 -93.3345 43.6293 -305.739 GPRESSURE: 918000 351.275 -158.939 -72.7604 -8.91504 -67.8705 78.941 -113.468 123.652 -376.268 PRESSAVG: 918000 35.2665 11.9498 -38.3203 11.9497 -59.3329 0.396341 -38.3203 0.396299 -15.4103 GPRESSAVG: 918000 34.83 10.2672 -37.7737 13.1237 -59.249 1.72607 -40.4305 -0.715512 -15.2005 TIMING: 918000 CPU: 2900.8, 0.0031686/step Wall: 2900.8, 0.00316859/step, 3.59283 hours remaining, 232.929688 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: 918000 3988.5058 20643.1102 14416.8547 254.8734 -203055.3464 2355.9725 0.0000 0.0000 51885.7760 -109510.2538 298.1883 -161396.0298 -109158.5547 298.8626 -60.3291 -30.9545 761011.1367 -13.1589 -13.2065 PRESSURE: 918200 -142.503 168.279 142.774 168.28 206.969 25.3374 142.775 25.3367 -343.525 GPRESSURE: 918200 -120.031 163.285 123.099 139.481 318.494 46.6613 88.7909 28.339 -384.947 PRESSAVG: 918200 14.2517 -25.5423 8.82284 -25.5422 -4.7589 4.99945 8.82275 4.99943 -1.96928 GPRESSAVG: 918200 15.4604 -24.3059 6.97995 -25.5975 -5.006 5.18971 10.2075 3.12156 -2.62081 TIMING: 918200 CPU: 2901.43, 0.00314928/step Wall: 2901.43, 0.00314928/step, 3.57076 hours remaining, 232.929688 MB of memory in use. ENERGY: 918200 4069.1133 20451.9582 14477.8931 251.8357 -203807.7656 2840.9712 0.0000 0.0000 52265.3345 -109450.6597 300.3696 -161715.9943 -109092.8816 298.9303 -93.0196 -62.1614 761236.1119 2.5078 2.6112 PRESSURE: 918400 -137.257 -51.3196 203.94 -51.3202 36.6888 29.5106 203.941 29.5106 20.4875 GPRESSURE: 918400 -142.186 -175.688 246.983 -56.4871 67.8743 -2.1037 123.38 -1.51852 72.1664 PRESSAVG: 918400 -45.6503 2.89362 40.0678 2.89359 -2.08642 12.7212 40.0678 12.7211 -6.92287 GPRESSAVG: 918400 -46.1867 4.20701 39.4751 1.76347 -3.00666 11.7822 40.9162 15.111 -5.70937 TIMING: 918400 CPU: 2902.06, 0.0031513/step Wall: 2902.06, 0.0031513/step, 3.57287 hours remaining, 232.929688 MB of memory in use. ENERGY: 918400 3975.5161 20532.7510 14507.0199 240.7485 -203150.3097 2540.4842 0.0000 0.0000 52035.6679 -109318.1223 299.0497 -161353.7902 -108952.3943 299.0113 -26.6936 -0.7150 762427.3990 -18.2199 -18.3009 PRESSURE: 918600 1.49493 -261.515 -15.0257 -261.514 -72.0786 181.02 -15.0254 181.019 -143.381 GPRESSURE: 918600 92.6421 -169.629 -121.012 -228.494 -157.377 193.386 2.1224 151.918 -96.962 PRESSAVG: 918600 -36.8764 2.42765 35.8033 2.42765 23.28 12.7171 35.8034 12.717 16.0804 GPRESSAVG: 918600 -37.3375 0.481077 37.1172 4.79109 23.7633 11.6881 34.1679 12.8595 16.0374 TIMING: 918600 CPU: 2902.68, 0.00314844/step Wall: 2902.68, 0.00314844/step, 3.56946 hours remaining, 232.929688 MB of memory in use. ENERGY: 918600 4083.1074 20785.1012 14467.9059 242.2122 -203846.1281 2920.9889 0.0000 0.0000 52017.0441 -109329.7685 298.9427 -161346.8125 -108981.2583 299.2886 -71.3215 -53.8990 762195.5624 0.8280 0.8211 PRESSURE: 918800 -332.999 -54.648 -257.809 -54.6471 -138.736 13.7682 -257.809 13.769 94.0574 GPRESSURE: 918800 -256.383 -37.6312 -240.091 10.286 -175.43 -17.4648 -95.0891 66.1531 138.649 PRESSAVG: 918800 -49.0215 -14.5193 -5.99285 -14.5193 40.9382 13.3597 -5.99288 13.3597 -9.95772 GPRESSAVG: 918800 -48.388 -14.3579 -6.63865 -15.0422 40.9863 15.3509 -4.90888 15.5569 -10.3692 TIMING: 918800 CPU: 2903.31, 0.00313097/step Wall: 2903.31, 0.00313097/step, 3.54948 hours remaining, 232.929688 MB of memory in use. ENERGY: 918800 3991.5949 20447.6828 14404.0937 238.0988 -203395.4876 2707.2270 0.0000 0.0000 52075.9135 -109530.8769 299.2810 -161606.7904 -109166.7780 299.2710 -125.8927 -97.7212 762578.9031 -6.0137 -5.9236 PRESSURE: 919000 61.986 59.9321 2.11592 59.9314 51.1952 185.312 2.11553 185.312 102.732 GPRESSURE: 919000 65.5524 143.997 37.4091 -69.4706 185.397 80.4579 -60.8044 207.912 73.6471 PRESSAVG: 919000 15.695 47.452 31.767 47.452 -30.5121 -0.984967 31.767 -0.984911 22.3477 GPRESSAVG: 919000 15.566 47.4993 31.7541 46.7581 -29.369 -3.01428 32.1344 0.697047 22.1177 TIMING: 919000 CPU: 2903.94, 0.00313453/step Wall: 2903.94, 0.00313453/step, 3.55333 hours remaining, 232.929688 MB of memory in use. ENERGY: 919000 3984.0399 20477.6317 14454.9333 249.4093 -203283.3871 2628.1396 0.0000 0.0000 51940.4331 -109548.8002 298.5024 -161489.2333 -109183.9976 298.7056 71.9712 108.1987 762928.5116 2.5102 2.7716 PRESSURE: 919200 -83.3804 61.3175 -186.309 61.317 -134.773 112.039 -186.309 112.039 262.419 GPRESSURE: 919200 -60.578 -8.57594 -203.886 44.7573 -89.444 129.567 -132.414 -82.1678 277.445 PRESSAVG: 919200 16.0422 -6.66284 -12.3621 -6.66278 -40.2417 20.9322 -12.362 20.9322 -5.22746 GPRESSAVG: 919200 15.5368 -8.03082 -12.1516 -7.25122 -40.3011 23.689 -12.8767 18.9052 -5.03554 TIMING: 919200 CPU: 2904.56, 0.00313401/step Wall: 2904.56, 0.00313401/step, 3.55257 hours remaining, 232.929688 MB of memory in use. ENERGY: 919200 4003.0905 20562.1003 14510.5965 243.3333 -203687.7092 2917.5538 0.0000 0.0000 51768.3299 -109682.7048 297.5133 -161451.0347 -109312.1060 298.9235 14.7552 42.4742 763684.4211 -9.8090 -9.9333 PRESSURE: 919400 -30.4972 84.78 101.179 84.7803 66.1224 30.2284 101.178 30.227 -103.516 GPRESSURE: 919400 4.82067 164.963 45.556 -49.4434 145.937 -47.9999 97.6737 80.138 -126.291 PRESSAVG: 919400 42.9593 22.8162 -19.1834 22.8161 4.05227 -54.6572 -19.1834 -54.6572 -5.65504 GPRESSAVG: 919400 43.399 25.0468 -18.3766 22.7148 3.32666 -54.6287 -18.7782 -55.6602 -5.52006 TIMING: 919400 CPU: 2905.19, 0.00312912/step Wall: 2905.19, 0.00312912/step, 3.54685 hours remaining, 232.929688 MB of memory in use. ENERGY: 919400 3961.5831 20357.3259 14430.5524 245.8263 -203911.8559 3061.8406 0.0000 0.0000 52181.9484 -109672.7791 299.8904 -161854.7275 -109306.6443 298.2404 -22.6302 8.1556 763603.7388 13.7855 13.7352 PRESSURE: 919600 -500.234 17.8009 0.377809 17.8012 -334.515 -143.828 0.376918 -143.83 -255.38 GPRESSURE: 919600 -507.866 -22.5975 77.6423 122.224 -223.727 -201.557 -56.4007 -96.5217 -270.601 PRESSAVG: 919600 23.2868 26.1018 10.341 26.1017 24.1297 -23.0279 10.3409 -23.0278 -20.5187 GPRESSAVG: 919600 22.9772 24.4104 10.3319 26.1195 25.0459 -24.2965 9.44517 -22.1013 -21.1647 TIMING: 919600 CPU: 2905.82, 0.00312981/step Wall: 2905.82, 0.00312981/step, 3.54747 hours remaining, 232.929688 MB of memory in use. ENERGY: 919600 3954.2091 20657.8073 14472.3044 239.0556 -202970.7524 2126.7197 0.0000 0.0000 52043.7220 -109476.9343 299.0960 -161520.6563 -109116.3265 298.9099 -363.3766 -334.0645 764264.2860 8.9659 8.9528 PRESSURE: 919800 185.046 -150.56 -32.1646 -150.561 -513.266 -96.9546 -32.1637 -96.9548 -484.452 GPRESSURE: 919800 63.4681 -49.7311 14.8753 -133.641 -358.533 -115.101 41.6084 -52.0449 -426.837 PRESSAVG: 919800 7.20378 -23.603 27.8833 -23.6031 36.6385 34.9682 27.8833 34.9683 19.6293 GPRESSAVG: 919800 7.45769 -23.9053 26.6367 -20.8538 36.0409 34.4529 28.0967 35.4055 20.6226 TIMING: 919800 CPU: 2906.44, 0.00313179/step Wall: 2906.44, 0.00313179/step, 3.54954 hours remaining, 232.929688 MB of memory in use. ENERGY: 919800 4049.5996 20457.9245 14478.6984 240.7477 -203055.1537 2490.6330 0.0000 0.0000 51710.5012 -109627.0493 297.1810 -161337.5504 -109256.8885 298.3956 -270.8908 -240.6340 764895.0351 21.1572 21.3737 PRESSURE: 920000 116.914 135.221 -65.0045 135.221 -57.1914 -68.3772 -65.0046 -68.3776 -48.6331 GPRESSURE: 920000 122.898 80.7682 -34.3381 131.993 48.3218 -54.1287 -77.5749 -50.1959 -80.3351 PRESSAVG: 920000 13.8697 -4.33601 -26.0024 -4.33595 4.27388 -5.0468 -26.0025 -5.04679 -15.8321 GPRESSAVG: 920000 13.2926 -4.80173 -25.7313 -5.35662 5.27998 -3.92049 -25.0867 -7.8937 -15.9129 TIMING: 920000 CPU: 2907.07, 0.00312571/step Wall: 2907.07, 0.00312571/step, 3.54248 hours remaining, 232.929688 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: 920000 3986.1597 20617.5449 14430.3394 255.5937 -203559.0594 2740.6696 0.0000 0.0000 51945.2075 -109583.5447 298.5298 -161528.7522 -109217.7825 299.0934 3.6965 30.2950 762217.8095 0.7705 0.8866 PRESSURE: 920200 -253.187 222.038 -202.344 222.037 126.562 30.6453 -202.343 30.6453 -88.476 GPRESSURE: 920200 -50.6327 258.827 -154.102 193.045 48.6349 26.7394 21.445 -40.0775 -131.637 PRESSAVG: 920200 -15.0767 15.0043 43.4517 15.0043 5.65478 55.6039 43.4517 55.604 8.16766 GPRESSAVG: 920200 -14.8875 15.5901 45.3943 15.4998 4.92975 54.9718 42.6782 56.6822 8.55198 TIMING: 920200 CPU: 2907.7, 0.0031398/step Wall: 2907.7, 0.0031398/step, 3.55826 hours remaining, 232.929688 MB of memory in use. ENERGY: 920200 4049.8813 20654.3670 14438.3063 263.7978 -203519.2944 2607.8068 0.0000 0.0000 51803.6081 -109701.5271 297.7160 -161505.1352 -109347.4513 298.7681 -71.7002 -44.5449 761437.7099 -0.4181 -0.4686 LDB: ============= START OF LOAD BALANCING ============== 2920.23 LDB: ============== END OF LOAD BALANCING =============== 2920.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2920.23 LDB: ============= START OF LOAD BALANCING ============== 2920.54 LDB: Largest compute 7070 load 0.030107 is 15.4% of average load 0.195264 LDB: Average compute 0.004393 is 2.2% of average load 0.195264 LDB: TIME 2920.54 LOAD: AVG 0.195264 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.871 MB LDB: TIME 2920.54 LOAD: AVG 0.195264 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 2920.54 LOAD: AVG 0.195264 MAX 0.211995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 2920.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2920.55 PRESSURE: 920400 -291.369 -78.9695 -118.285 -78.9703 236.203 -130.796 -118.284 -130.794 -160.962 GPRESSURE: 920400 -244.146 -104.166 -93.5758 -158.775 252.508 -154.216 -93.9899 -63.6477 -173.243 PRESSAVG: 920400 -34.3348 20.2478 2.82294 20.2477 12.7017 58.2642 2.82303 58.2642 0.712716 GPRESSAVG: 920400 -34.7706 21.0507 0.889834 18.8657 13.2589 58.4608 3.0828 58.1739 0.376676 TIMING: 920400 CPU: 2908.33, 0.00318838/step Wall: 2908.33, 0.00318838/step, 3.61314 hours remaining, 232.871094 MB of memory in use. ENERGY: 920400 3976.4792 20656.8908 14381.4764 232.3198 -203601.6639 2679.8862 0.0000 0.0000 51839.8138 -109834.7977 297.9241 -161674.6115 -109482.9859 298.6454 -72.0429 -54.9606 762710.8495 -6.9735 -7.0450 PRESSURE: 920600 16.1063 21.3064 -246.918 21.3062 2.12515 -90.3497 -246.918 -90.3486 -24.3487 GPRESSURE: 920600 -54.5584 97.9134 -199.678 59.1742 89.3369 -201.779 -252.754 -218.26 44.7685 PRESSAVG: 920600 30.3804 -43.6025 12.1731 -43.6025 -62.1447 -7.8992 12.1731 -7.89921 8.28973 GPRESSAVG: 920600 30.5408 -43.5277 11.2725 -42.9695 -62.3311 -8.28859 11.8693 -7.27078 7.94825 TIMING: 920600 CPU: 2908.96, 0.00312666/step Wall: 2908.96, 0.00312666/step, 3.54303 hours remaining, 232.871094 MB of memory in use. ENERGY: 920600 3951.5452 20618.3053 14432.0817 250.0213 -203726.5148 2728.0512 0.0000 0.0000 52014.1763 -109732.3340 298.9262 -161746.5102 -109371.2410 298.5703 -2.0391 26.5157 761039.9891 -7.8249 -7.9473 PRESSURE: 920800 14.9949 -119.248 -164.295 -119.249 -52.1824 112.927 -164.296 112.928 544.595 GPRESSURE: 920800 127.975 -138.973 -227.628 -165.558 -24.6503 132.012 -164.812 147.997 488.369 PRESSAVG: 920800 1.64052 -6.04107 38.6462 -6.0411 2.38903 70.4756 38.6462 70.4757 20.7955 GPRESSAVG: 920800 2.36034 -5.78346 39.8334 -7.34325 1.96636 69.9002 38.5941 69.2111 20.3236 TIMING: 920800 CPU: 2909.59, 0.00314117/step Wall: 2909.59, 0.00314117/step, 3.5593 hours remaining, 232.871094 MB of memory in use. ENERGY: 920800 4030.8332 20486.0507 14396.1285 259.4112 -203652.8917 2580.7136 0.0000 0.0000 52032.0174 -109867.7371 299.0287 -161899.7545 -109511.5269 298.8562 169.1359 197.2313 759865.7598 8.2750 8.2168 PRESSURE: 921000 -163.621 -119.577 152.084 -119.577 101.19 296.071 152.084 296.07 258.988 GPRESSURE: 921000 -107.383 -19.442 76.4888 -165.535 140.927 320.081 66.8967 281.882 245.668 PRESSAVG: 921000 33.0562 11.4136 35.0128 11.4136 -15.3518 28.5537 35.0128 28.5538 2.77353 GPRESSAVG: 921000 31.423 10.3569 34.5993 13.4751 -15.1959 30.4682 35.5473 30.0442 4.46984 TIMING: 921000 CPU: 2910.22, 0.00315072/step Wall: 2910.22, 0.00315072/step, 3.56994 hours remaining, 232.871094 MB of memory in use. ENERGY: 921000 3952.6658 20350.3207 14487.0188 255.7615 -203596.6022 2580.6844 0.0000 0.0000 52200.3692 -109769.7817 299.9962 -161970.1510 -109395.2989 298.7977 65.5192 93.0707 761141.8583 6.8260 6.8990 PRESSURE: 921200 51.334 79.3841 143.547 79.3837 -119.607 237.053 143.546 237.055 -326.397 GPRESSURE: 921200 76.5177 79.5474 130.863 169.255 -26.6795 219.598 212.718 170.752 -352.02 PRESSAVG: 921200 4.8255 -8.31946 37.0638 -8.31946 1.4893 88.3788 37.0639 88.3788 -18.4026 GPRESSAVG: 921200 6.40554 -8.06861 38.1864 -8.76897 1.18869 87.0245 39.3581 86.9079 -20.1804 TIMING: 921200 CPU: 2910.85, 0.00314264/step Wall: 2910.85, 0.00314264/step, 3.56062 hours remaining, 232.871094 MB of memory in use. ENERGY: 921200 3918.8271 20693.6474 14427.4199 267.3392 -203413.6183 2281.8805 0.0000 0.0000 52151.5920 -109672.9122 299.7159 -161824.5042 -109311.5537 298.6176 -131.5568 -100.7274 760662.0182 -4.0293 -4.1954 PRESSURE: 921400 -78.7307 -38.3925 63.5635 -38.3922 -141.58 8.89913 63.5634 8.89922 -51.2664 GPRESSURE: 921400 2.4353 -48.057 41.6734 -79.4445 -105.805 7.05624 104.917 -38.9277 -70.7197 PRESSAVG: 921400 44.8173 -43.336 24.3231 -43.336 -40.9738 90.5834 24.3231 90.5833 3.56949 GPRESSAVG: 921400 43.4268 -42.3257 22.595 -45.0457 -38.7438 90.4927 23.6996 91.6741 3.31926 TIMING: 921400 CPU: 2911.47, 0.00313755/step Wall: 2911.47, 0.00313755/step, 3.55467 hours remaining, 232.871094 MB of memory in use. ENERGY: 921400 4000.0584 20478.7300 14432.7101 252.7744 -203812.1166 2544.1917 0.0000 0.0000 52353.5182 -109750.1338 300.8764 -162103.6520 -109382.1307 298.8169 -90.5256 -58.0297 759862.9602 2.4710 2.6674 PRESSURE: 921600 318.031 56.5984 -89.7551 56.5987 76.5314 -176.78 -89.7552 -176.78 432.625 GPRESSURE: 921600 378.39 132.09 -56.66 2.96998 74.146 -66.7425 -150.475 -92.7298 482.415 PRESSAVG: 921600 9.92261 -52.481 21.0465 -52.481 4.33344 43.3486 21.0464 43.3487 6.01256 GPRESSAVG: 921600 10.7069 -53.5843 23.134 -51.4648 3.42796 41.9983 19.6917 44.9222 5.74249 TIMING: 921600 CPU: 2912.1, 0.00312082/step Wall: 2912.1, 0.00312082/step, 3.53555 hours remaining, 232.871094 MB of memory in use. ENERGY: 921600 3925.4124 20445.7162 14481.1061 253.9954 -203492.1444 2508.4042 0.0000 0.0000 52268.1615 -109609.3487 300.3858 -161877.5102 -109242.1465 299.0309 275.7292 311.6503 759300.6604 6.7562 6.6258 PRESSURE: 921800 147.064 -116.554 146.949 -116.554 37.1439 -246.147 146.949 -246.147 -72.042 GPRESSURE: 921800 142.573 -8.87293 139.877 -16.9467 39.6652 -216.216 213.467 -207.622 -23.9494 PRESSAVG: 921800 36.0769 2.50888 64.736 2.50887 25.7444 -6.35969 64.736 -6.35959 -4.18552 GPRESSAVG: 921800 36.4009 2.21453 64.1403 2.62521 24.8052 -5.83327 63.6283 -6.54754 -4.18521 TIMING: 921800 CPU: 2912.73, 0.00314256/step Wall: 2912.73, 0.00314256/step, 3.55999 hours remaining, 232.871094 MB of memory in use. ENERGY: 921800 4102.7727 20660.1584 14452.4383 230.9549 -203417.8901 2517.3795 0.0000 0.0000 51982.4497 -109471.7367 298.7439 -161454.1864 -109126.9961 298.8461 37.3887 52.7629 759745.0248 19.2119 19.0070 PRESSURE: 922000 304.836 -47.483 -207.761 -47.483 51.9806 87.0331 -207.76 87.0329 -274.966 GPRESSURE: 922000 361.363 -38.8009 -54.2039 -142.652 23.7314 202.901 -186.2 76.3522 -216.331 PRESSAVG: 922000 57.4713 31.2269 43.2781 31.227 -41.3607 36.2435 43.2781 36.2435 -11.3539 GPRESSAVG: 922000 56.8248 32.0109 41.3883 32.1512 -41.8774 36.6626 47.7492 35.6346 -10.499 TIMING: 922000 CPU: 2913.36, 0.00315877/step Wall: 2913.36, 0.00315877/step, 3.57819 hours remaining, 232.871094 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: 922000 4015.4227 20757.7458 14503.8122 259.0321 -203456.2680 2691.9626 0.0000 0.0000 52055.6162 -109172.6764 299.1643 -161228.2926 -108829.0800 299.3380 27.2838 56.2543 757935.4030 1.5856 1.4828 PRESSURE: 922200 390.408 -126.428 -44.6214 -126.427 -37.9306 148.942 -44.622 148.943 -668.396 GPRESSURE: 922200 334.743 -85.1575 -33.1788 -115.073 77.3159 210.185 -133.83 4.47596 -654.884 PRESSAVG: 922200 22.9974 22.3518 32.5158 22.3518 34.732 50.462 32.5158 50.4621 22.2027 GPRESSAVG: 922200 22.2918 22.5897 33.8863 20.8166 35.4952 51.3808 29.4981 50.2053 22.2924 TIMING: 922200 CPU: 2913.99, 0.00313867/step Wall: 2913.99, 0.00313867/step, 3.55524 hours remaining, 232.871094 MB of memory in use. ENERGY: 922200 4060.6277 20478.3321 14540.9147 247.6649 -203331.3234 2633.8592 0.0000 0.0000 52298.8599 -109071.0649 300.5623 -161369.9248 -108707.4826 300.2692 -105.3062 -80.9417 758421.5615 26.6440 26.6931 PRESSURE: 922400 6.53265 139.76 159.841 139.76 -311.805 -36.8514 159.841 -36.8518 -245.788 GPRESSURE: 922400 121.793 87.8441 149.043 81.2468 -345.224 -13.5171 83.4697 65.7819 -247.933 PRESSAVG: 922400 44.408 -25.5601 -54.105 -25.5601 -58.532 33.1367 -54.105 33.1367 -6.21675 GPRESSAVG: 922400 46.5369 -27.401 -54.9363 -25.4415 -60.2807 34.2682 -55.7088 32.5785 -6.68341 TIMING: 922400 CPU: 2914.61, 0.00312008/step Wall: 2914.61, 0.00312008/step, 3.53401 hours remaining, 232.871094 MB of memory in use. ENERGY: 922400 4017.5789 20489.9228 14554.4203 252.9635 -203491.2335 2628.6804 0.0000 0.0000 52315.1862 -109232.4812 300.6561 -161547.6675 -108872.7073 300.3266 -183.6870 -157.1215 759919.5610 -6.7802 -6.8090 PRESSURE: 922600 -229.24 -53.3955 18.2853 -53.3958 -269.528 -49.9585 18.2852 -49.9582 70.6213 GPRESSURE: 922600 -188.352 37.5375 -48.8414 -126.456 -220.353 3.55423 4.71287 -69.6873 68.2752 PRESSAVG: 922600 12.1919 24.4404 -26.8954 24.4404 6.67187 5.02537 -26.8954 5.02541 16.8291 GPRESSAVG: 922600 11.9266 24.7235 -28.1459 25.144 6.98268 3.02113 -24.9985 6.23888 16.7745 TIMING: 922600 CPU: 2915.23, 0.0031236/step Wall: 2915.23, 0.0031236/step, 3.53782 hours remaining, 232.871094 MB of memory in use. ENERGY: 922600 4036.2939 20575.8856 14531.0124 252.6621 -203537.3490 2620.5609 0.0000 0.0000 52141.0345 -109379.8996 299.6552 -161520.9341 -109019.4833 299.5556 -142.7158 -113.4769 760510.7552 11.8976 11.8946 PRESSURE: 922800 -187.09 -83.2921 -67.8968 -83.2916 96.1579 24.4254 -67.8964 24.4253 -90.8034 GPRESSURE: 922800 -180.588 -124.282 -65.9139 -71.362 154.801 105.455 1.27462 74.0675 -73.2918 PRESSAVG: 922800 5.00686 1.16743 -42.4386 1.16748 21.0958 18.8914 -42.4386 18.8914 -10.9102 GPRESSAVG: 922800 2.39347 1.74697 -40.4331 0.208894 22.2458 18.7615 -40.094 18.7342 -9.54103 TIMING: 922800 CPU: 2915.86, 0.0031221/step Wall: 2915.86, 0.0031221/step, 3.53595 hours remaining, 232.871094 MB of memory in use. ENERGY: 922800 4012.8628 20578.9595 14540.3149 253.6864 -203916.1616 2956.2540 0.0000 0.0000 52225.1608 -109348.9232 300.1387 -161574.0839 -108978.8545 299.5539 -60.5785 -33.0263 760423.4058 5.0642 5.0327 PRESSURE: 923000 296.868 14.4571 77.1563 14.4572 86.2856 167.898 77.1568 167.896 -83.849 GPRESSURE: 923000 403.919 113.214 69.0121 -93.5393 133.174 135.789 -53.5375 105.856 -145.661 PRESSAVG: 923000 -68.1291 -16.0566 -26.2453 -16.0566 65.4978 34.1086 -26.2452 34.1085 -4.07979 GPRESSAVG: 923000 -66.903 -16.0487 -27.9784 -17.043 65.2272 33.3813 -27.5071 35.2135 -5.26503 TIMING: 923000 CPU: 2916.49, 0.00313215/step Wall: 2916.49, 0.00313215/step, 3.54716 hours remaining, 232.871094 MB of memory in use. ENERGY: 923000 4020.6433 20713.6101 14449.7130 254.3953 -203517.5353 2599.1828 0.0000 0.0000 52182.9150 -109297.0759 299.8959 -161479.9908 -108927.1358 300.1125 99.7683 130.4775 759834.3919 -2.2370 -2.3136 PRESSURE: 923200 -112.919 -306.384 -186.801 -306.384 -191.538 411.936 -186.801 411.935 -483.286 GPRESSURE: 923200 -125.969 -204.641 -79.5133 -319.719 -122.013 409.683 -125.656 328.258 -440.708 PRESSAVG: 923200 27.2254 -43.4286 -53.8361 -43.4287 12.7171 45.7846 -53.836 45.7844 13.0894 GPRESSAVG: 923200 27.7756 -44.2895 -52.803 -41.4884 12.8307 48.0028 -56.4767 43.8952 12.449 TIMING: 923200 CPU: 2917.11, 0.00313752/step Wall: 2917.11, 0.00313752/step, 3.55307 hours remaining, 232.871094 MB of memory in use. ENERGY: 923200 4033.4729 20580.9827 14500.5358 251.4467 -203246.5107 2389.7656 0.0000 0.0000 52112.3303 -109377.9767 299.4903 -161490.3069 -109022.3528 299.6742 -262.5809 -229.5634 761091.9243 17.6773 17.6851 PRESSURE: 923400 -355.663 49.8479 -271.783 49.8477 -411.974 389.736 -271.783 389.735 -156.102 GPRESSURE: 923400 -326.06 38.8225 -306.156 79.9345 -421.884 483.654 -244.361 372.975 -87.9034 PRESSAVG: 923400 -48.7559 -16.9641 -12.8856 -16.9641 -3.03695 -1.29366 -12.8856 -1.29376 -19.4998 GPRESSAVG: 923400 -50.8996 -17.6082 -13.6908 -15.7088 -2.29806 -1.87785 -10.2349 -1.04466 -17.6848 TIMING: 923400 CPU: 2917.74, 0.00313521/step Wall: 2917.74, 0.00313521/step, 3.55027 hours remaining, 232.871094 MB of memory in use. ENERGY: 923400 4002.7662 20664.8800 14541.9812 246.8510 -203167.4909 2487.8714 0.0000 0.0000 51860.7795 -109362.3617 298.0446 -161223.1412 -109002.3713 299.5031 -307.9129 -278.6158 761658.6060 -23.7642 -23.6275 PRESSURE: 923600 -4.5641 -73.4423 76.997 -73.4416 183.906 65.9535 76.9976 65.954 -57.5812 GPRESSURE: 923600 81.932 -127.514 -21.7732 -58.5106 127.883 78.2615 83.4075 -32.3405 6.34999 PRESSAVG: 923600 -32.3587 -41.4306 -49.0013 -41.4307 29.4036 58.0199 -49.0014 58.0199 2.10278 GPRESSAVG: 923600 -30.1659 -39.5498 -49.7555 -43.5847 29.0724 58.9601 -49.8043 57.0735 0.588872 TIMING: 923600 CPU: 2918.37, 0.0031439/step Wall: 2918.37, 0.0031439/step, 3.55994 hours remaining, 232.871094 MB of memory in use. ENERGY: 923600 3904.1289 20843.3785 14515.4041 236.1320 -203458.4218 2555.2035 0.0000 0.0000 52057.2490 -109346.9256 299.1737 -161404.1747 -108984.5956 299.4019 40.5869 72.0549 761964.2806 -0.2841 -0.1682 PRESSURE: 923800 -91.3194 -146.911 -97.9031 -146.91 -207.251 -162.8 -97.9024 -162.801 -234.853 GPRESSURE: 923800 -244.712 -75.5045 -25.046 -39.4084 -43.7378 -148.247 32.4198 -140.297 -172.257 PRESSAVG: 923800 -53.7207 -8.65974 -26.3016 -8.65974 79.3869 44.6676 -26.3015 44.6676 -9.83422 GPRESSAVG: 923800 -55.5353 -10.9966 -23.1073 -6.70809 80.9169 44.179 -25.6067 43.3481 -9.56124 TIMING: 923800 CPU: 2919, 0.00314227/step Wall: 2919, 0.00314227/step, 3.55792 hours remaining, 232.871094 MB of memory in use. ENERGY: 923800 4011.0349 20737.1392 14479.0186 260.1260 -203216.5843 2569.2839 0.0000 0.0000 51880.9436 -109279.0381 298.1605 -161159.9817 -108925.3539 299.5778 -177.8076 -153.5690 761366.5274 5.2773 5.2735 PRESSURE: 924000 -120.243 -206.889 -7.00449 -206.889 -127.134 -19.9654 -7.00371 -19.9638 -80.4566 GPRESSURE: 924000 -92.8591 -336.721 -74.8507 -103.949 -3.52966 -25.362 32.3674 86.8994 -147.66 PRESSAVG: 924000 -38.7664 -71.0121 -35.0244 -71.0122 23.8614 14.9902 -35.0244 14.9902 -16.5817 GPRESSAVG: 924000 -35.5036 -71.4496 -35.7931 -70.2871 21.3029 14.7783 -35.1146 16.1734 -16.8612 TIMING: 924000 CPU: 2919.62, 0.0031157/step Wall: 2919.62, 0.0031157/step, 3.52766 hours remaining, 232.871094 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: 924000 3993.1818 20808.8205 14418.4105 236.3696 -203600.5642 2591.9801 0.0000 0.0000 52124.5809 -109427.2210 299.5607 -161551.8018 -109064.6482 299.2865 -109.2777 -81.3495 761009.9376 -10.4956 -10.3540 PRESSURE: 924200 -100.647 259.036 38.6199 259.035 159.452 -9.88211 38.6186 -9.88233 -85.0582 GPRESSURE: 924200 -105.788 297.836 64.7001 327.037 150.688 -42.442 96.0505 -114.886 -17.4017 PRESSAVG: 924200 -3.28557 -25.1257 -4.73808 -25.1257 46.0671 39.4227 -4.73804 39.4226 -5.63267 GPRESSAVG: 924200 -4.86094 -24.2156 -7.01701 -24.167 46.8068 38.9281 -4.50154 40.8159 -4.41636 TIMING: 924200 CPU: 2920.25, 0.00313641/step Wall: 2920.25, 0.00313641/step, 3.55094 hours remaining, 232.871094 MB of memory in use. ENERGY: 924200 4101.0066 20624.6281 14473.8149 228.8477 -203758.1057 3063.4301 0.0000 0.0000 52021.0826 -109245.2958 298.9659 -161266.3784 -108897.0017 299.5961 -8.7511 9.1660 761167.6313 12.3830 12.5098 LDB: ============= START OF LOAD BALANCING ============== 2932.78 LDB: ============== END OF LOAD BALANCING =============== 2932.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2932.78 LDB: ============= START OF LOAD BALANCING ============== 2933.1 LDB: Largest compute 7077 load 0.030947 is 15.8% of average load 0.195344 LDB: Average compute 0.004375 is 2.2% of average load 0.195344 LDB: TIME 2933.1 LOAD: AVG 0.195344 MAX 0.213013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.848 MB LDB: TIME 2933.1 LOAD: AVG 0.195344 MAX 0.213013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.852 MB LDB: TIME 2933.1 LOAD: AVG 0.195344 MAX 0.213013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.852 MB LDB: ============== END OF LOAD BALANCING =============== 2933.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2933.11 PRESSURE: 924400 5.79071 112.679 -67.1557 112.678 273.054 359.93 -67.1552 359.93 332.666 GPRESSURE: 924400 82.1888 93.0019 -29.1458 213.478 310.365 323.216 -66.3227 380.314 303.483 PRESSAVG: 924400 -31.958 66.0849 22.2087 66.0848 37.0492 68.8338 22.2087 68.8338 -8.04711 GPRESSAVG: 924400 -31.5841 65.9226 25.2002 64.0089 36.5809 68.2462 20.1705 68.6834 -8.32381 TIMING: 924400 CPU: 2920.89, 0.00320785/step Wall: 2920.89, 0.00320785/step, 3.63164 hours remaining, 234.410156 MB of memory in use. ENERGY: 924400 3929.6314 20519.2847 14455.1938 242.2937 -203781.6530 2902.9952 0.0000 0.0000 52329.4811 -109402.7732 300.7382 -161732.2543 -109031.4632 299.3381 203.8370 232.0122 760776.5085 -0.9853 -1.1090 PRESSURE: 924600 -30.7122 248.082 -147.826 248.081 119.85 -32.6067 -147.826 -32.6041 -343.454 GPRESSURE: 924600 35.9457 311.383 -117.159 379.576 147.194 -16.2022 -179.323 -12.6649 -333.834 PRESSAVG: 924600 8.33466 17.6638 4.00736 17.6637 0.179301 80.2192 4.00725 80.2192 1.75519 GPRESSAVG: 924600 7.68119 21.2163 2.70349 16.3674 1.19312 82.2243 5.67194 79.8542 1.82619 TIMING: 924600 CPU: 2921.52, 0.00314279/step Wall: 2921.52, 0.00314279/step, 3.55781 hours remaining, 234.746094 MB of memory in use. ENERGY: 924600 4003.4495 20646.9073 14450.9802 236.3650 -203749.2485 2602.0024 0.0000 0.0000 52275.2621 -109534.2819 300.4266 -161809.5440 -109171.5220 299.8965 -84.7721 -50.2315 762186.6513 3.4230 3.5668 PRESSURE: 924800 165.389 -90.4294 -80.5584 -90.4299 23.5569 -39.0656 -80.5574 -39.0648 72.8577 GPRESSURE: 924800 124.282 -79.2497 -29.9394 -22.3447 45.1156 31.6035 -96.9238 -16.7813 185.701 PRESSAVG: 924800 8.11081 -2.45518 29.8625 -2.45515 1.20316 23.7313 29.8625 23.7313 9.02537 GPRESSAVG: 924800 7.07233 -4.246 30.4553 -1.5473 1.35711 24.4882 29.0247 22.0193 9.17365 TIMING: 924800 CPU: 2922.15, 0.00313823/step Wall: 2922.15, 0.00313823/step, 3.55248 hours remaining, 234.804688 MB of memory in use. ENERGY: 924800 3971.9063 20581.6910 14494.5580 250.5741 -203287.8240 2670.9533 0.0000 0.0000 51656.8576 -109661.2837 296.8727 -161318.1412 -109294.6830 299.2341 87.2677 118.3665 762180.2786 6.1131 5.8677 PRESSURE: 925000 97.8469 54.4665 -54.2546 54.4671 -37.3578 -13.9492 -54.2539 -13.9482 118.192 GPRESSURE: 925000 184.25 111.508 -29.5531 163.91 -6.85142 -31.6561 -137.626 35.9947 100.671 PRESSAVG: 925000 0.147942 -27.6351 8.59787 -27.6351 13.6533 34.1787 8.59789 34.1788 0.191379 GPRESSAVG: 925000 0.344161 -28.6978 7.45964 -26.7223 13.996 32.4113 9.05122 36.0364 -0.491383 TIMING: 925000 CPU: 2922.77, 0.00314733/step Wall: 2922.77, 0.00314733/step, 3.5626 hours remaining, 234.804688 MB of memory in use. ENERGY: 925000 4053.0033 20580.9395 14486.1689 241.8877 -203653.4180 2921.2306 0.0000 0.0000 51918.9421 -109451.2458 298.3789 -161370.1879 -109092.0189 298.3636 59.5605 92.6896 761676.3280 4.6642 4.6163 PRESSURE: 925200 -40.2766 182.349 21.5963 182.349 -235.681 -159.465 21.5966 -159.466 -118.738 GPRESSURE: 925200 37.1366 114.626 -15.5455 98.6476 -185.234 -187.426 29.1327 -180.597 -150.137 PRESSAVG: 925200 -23.7386 -32.9843 -13.3636 -32.9843 29.1597 -19.2526 -13.3637 -19.2526 3.81333 GPRESSAVG: 925200 -22.3691 -33.4389 -13.0026 -33.5194 27.5526 -18.7018 -14.0834 -18.8433 4.2059 TIMING: 925200 CPU: 2923.41, 0.00316304/step Wall: 2923.41, 0.00316304/step, 3.58021 hours remaining, 234.804688 MB of memory in use. ENERGY: 925200 3945.2184 20833.1064 14460.5908 229.9965 -203434.9597 2487.5940 0.0000 0.0000 52062.5352 -109415.9185 299.2041 -161478.4537 -109057.1150 299.0984 -131.5652 -99.4116 761615.8717 3.0781 3.1298 PRESSURE: 925400 -182.076 -159.575 124.444 -159.574 -335.966 16.7304 124.445 16.7303 115.828 GPRESSURE: 925400 -143.134 -51.2752 230.719 -176.585 -348.49 43.206 74.3354 -24.7614 171.073 PRESSAVG: 925400 53.0941 -26.0577 39.48 -26.0577 -18.3069 -2.18325 39.4799 -2.18323 0.776136 GPRESSAVG: 925400 53.6398 -25.9132 39.7664 -25.7746 -17.9162 -2.22821 38.8221 -5.42657 0.123487 TIMING: 925400 CPU: 2924.04, 0.00316689/step Wall: 2924.04, 0.00316689/step, 3.58439 hours remaining, 234.804688 MB of memory in use. ENERGY: 925400 4017.3541 20844.9452 14427.6778 227.8054 -203494.6876 2491.5030 0.0000 0.0000 52140.5151 -109344.8869 299.6523 -161485.4020 -108983.8639 299.1610 -134.0714 -106.8502 761321.1301 11.8544 11.9490 PRESSURE: 925600 12.3281 251.458 95.3654 251.458 132.489 -133.775 95.3649 -133.775 -46.6656 GPRESSURE: 925600 -0.734826 201.853 126.223 207.284 129.105 -70.1043 106.951 -46.4209 34.6299 PRESSAVG: 925600 32.6922 -8.36782 46.0909 -8.36781 -8.86913 7.52579 46.0909 7.52574 -1.29592 GPRESSAVG: 925600 31.3548 -7.93951 45.2692 -8.12816 -8.30684 6.90613 48.1492 8.4985 -0.844362 TIMING: 925600 CPU: 2924.67, 0.00313904/step Wall: 2924.67, 0.00313904/step, 3.55269 hours remaining, 234.804688 MB of memory in use. ENERGY: 925600 4015.1367 20772.1584 14451.5469 228.0989 -203699.1361 2735.2616 0.0000 0.0000 51902.5300 -109594.4036 298.2846 -161496.9336 -109237.6007 299.3850 32.7171 54.3335 759680.7351 7.5091 7.4012 PRESSURE: 925800 177.499 195.327 87.0886 195.328 -26.274 -324.051 87.0881 -324.051 489.473 GPRESSURE: 925800 152.289 208.6 119.219 116.956 54.9857 -257.647 -12.8185 -176.685 512.409 PRESSAVG: 925800 20.9884 -22.2279 20.606 -22.2279 14.96 54.9595 20.606 54.9594 -11.1212 GPRESSAVG: 925800 22.6739 -22.0349 20.3839 -24.3044 13.7659 55.859 20.4821 55.8287 -11.1228 TIMING: 925800 CPU: 2925.3, 0.00313354/step Wall: 2925.3, 0.00313354/step, 3.54629 hours remaining, 234.804688 MB of memory in use. ENERGY: 925800 3934.6628 20622.0242 14476.3892 257.8882 -203661.9027 2929.6940 0.0000 0.0000 51950.5040 -109490.7402 298.5603 -161441.2442 -109123.5464 298.9723 213.5658 239.8946 762193.4836 8.2757 8.4390 PRESSURE: 926000 -11.7158 138.456 -107.938 138.457 194.88 -46.5254 -107.937 -46.527 332.909 GPRESSURE: 926000 29.469 189.758 -46.7373 114.412 287.413 -21.706 -172.368 -121.348 278.281 PRESSAVG: 926000 30.9423 33.8068 8.39614 33.8068 -4.59052 -3.34595 8.39619 -3.34593 -4.60864 GPRESSAVG: 926000 29.6387 34.3616 8.96883 35.8794 -2.94405 -4.91673 8.58639 -4.62987 -5.30001 TIMING: 926000 CPU: 2925.92, 0.00313235/step Wall: 2925.92, 0.00313235/step, 3.54478 hours remaining, 234.804688 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: 926000 3971.2459 20711.9748 14489.7894 256.5725 -203481.6765 2581.9364 0.0000 0.0000 52068.1294 -109402.0281 299.2363 -161470.1575 -109035.8405 299.0857 172.0242 198.3879 759967.3565 7.2477 7.1315 PRESSURE: 926200 55.6662 4.65042 -177.581 4.65028 -390.309 -55.477 -177.581 -55.4757 -16.4394 GPRESSURE: 926200 72.9874 -51.2098 -82.4205 55.8187 -340.433 -105.652 -102.075 -113.251 -12.8976 PRESSAVG: 926200 11.2231 -43.8526 12.134 -43.8526 8.08547 -4.58543 12.134 -4.58531 0.150445 GPRESSAVG: 926200 12.1233 -45.6791 11.7219 -44.5942 7.95925 -4.33008 11.3697 -3.5187 -0.823467 TIMING: 926200 CPU: 2926.55, 0.00315202/step Wall: 2926.55, 0.00315203/step, 3.56687 hours remaining, 234.804688 MB of memory in use. ENERGY: 926200 3986.0037 20619.8873 14526.4029 239.3465 -203380.5135 2690.1771 0.0000 0.0000 52120.9919 -109197.7041 299.5401 -161318.6961 -108835.0106 299.2103 -117.0274 -93.4479 761860.9892 6.4864 6.4197 PRESSURE: 926400 -294.515 209.924 94.7566 209.924 -293.379 68.3945 94.7564 68.3936 -494.395 GPRESSURE: 926400 -277.573 150.412 74.5628 131.648 -280.009 145.788 130.53 80.4348 -446.971 PRESSAVG: 926400 26.051 16.0569 34.9909 16.0569 5.47351 -17.354 34.9909 -17.3541 -2.92748 GPRESSAVG: 926400 25.6424 18.6051 36.277 16.8239 5.44288 -16.5187 36.6936 -16.9493 -2.40809 TIMING: 926400 CPU: 2927.18, 0.00313393/step Wall: 2927.18, 0.00313392/step, 3.54621 hours remaining, 234.804688 MB of memory in use. ENERGY: 926400 3978.0649 20596.5785 14440.7855 246.5472 -202775.1962 2238.0484 0.0000 0.0000 51953.1007 -109322.0708 298.5752 -161275.1715 -108958.2619 298.9457 -360.7630 -334.8509 762201.1663 9.5324 9.5591 PRESSURE: 926600 -271.234 21.5638 71.9867 21.5642 -29.0314 236.611 71.9865 236.61 439.116 GPRESSURE: 926600 -83.0085 98.9855 206.838 -112.078 -130.863 192.975 60.3425 173.219 422.368 PRESSAVG: 926600 32.0541 18.7886 41.0911 18.7886 -20.9344 13.6419 41.0911 13.6418 21.0537 GPRESSAVG: 926600 31.9784 19.0158 41.3649 17.7423 -21.8839 11.8516 39.0632 14.5689 22.1943 TIMING: 926600 CPU: 2927.81, 0.00314785/step Wall: 2927.81, 0.00314786/step, 3.5618 hours remaining, 234.804688 MB of memory in use. ENERGY: 926600 3972.3997 20648.3712 14525.0548 249.2240 -203285.4739 2509.2473 0.0000 0.0000 52138.0865 -109243.0904 299.6383 -161381.1769 -108887.1820 299.2135 46.2837 69.4988 761688.0120 10.7245 10.7629 PRESSURE: 926800 26.4306 -67.4491 101.389 -67.4474 -55.2958 -253.562 101.39 -253.563 -132.458 GPRESSURE: 926800 91.7006 -27.2428 143.491 -162.088 -93.9331 -201.599 114.258 -225.598 -104.056 PRESSAVG: 926800 17.6688 -10.745 14.5771 -10.745 24.5556 -4.57641 14.577 -4.57645 4.66158 GPRESSAVG: 926800 16.5398 -10.8013 14.0692 -9.46836 25.7317 -2.17058 16.5862 -5.76787 4.11198 TIMING: 926800 CPU: 2928.44, 0.00314973/step Wall: 2928.44, 0.00314973/step, 3.56374 hours remaining, 234.804688 MB of memory in use. ENERGY: 926800 4070.6016 20645.0422 14480.6645 253.9390 -203477.0174 2843.8684 0.0000 0.0000 52135.7476 -109047.1541 299.6249 -161182.9018 -108690.0252 299.4935 -53.7743 -35.4295 762555.5097 15.6286 15.4612 PRESSURE: 927000 -234.09 -106.909 114.048 -106.909 -305.033 1.32715 114.047 1.32742 -135.029 GPRESSURE: 927000 -173.716 -129.329 120.343 -85.8451 -308.927 -0.321042 126.296 -87.0257 -120.506 PRESSAVG: 927000 8.04374 -14.1326 35.0047 -14.1325 21.343 19.6568 35.0047 19.6568 -1.18508 GPRESSAVG: 927000 9.17891 -14.7298 34.8052 -13.5153 21.2775 19.5667 35.7266 18.997 -1.91619 TIMING: 927000 CPU: 2929.07, 0.00314293/step Wall: 2929.07, 0.00314293/step, 3.55588 hours remaining, 234.804688 MB of memory in use. ENERGY: 927000 4065.4901 20495.5913 14526.1658 244.5823 -203347.2807 2757.7673 0.0000 0.0000 51917.5263 -109340.1575 298.3707 -161257.6838 -108974.3877 299.4984 -224.7175 -201.0497 761474.2567 9.4006 9.5134 PRESSURE: 927200 409.383 26.1001 -59.973 26.0999 277.166 -148.954 -59.972 -148.954 221.226 GPRESSURE: 927200 378.081 84.534 -82.6889 -97.9929 333.98 -114.145 43.4015 -144.712 275.577 PRESSAVG: 927200 23.4533 -10.0735 -37.5797 -10.0735 15.7237 -9.29781 -37.5797 -9.29784 -13.6695 GPRESSAVG: 927200 23.7547 -9.6006 -36.9021 -11.2093 14.7797 -9.33443 -38.617 -8.45485 -13.0752 TIMING: 927200 CPU: 2929.69, 0.00313705/step Wall: 2929.69, 0.00313705/step, 3.54905 hours remaining, 234.804688 MB of memory in use. ENERGY: 927200 4018.6038 20475.5998 14504.9354 229.4384 -203705.3446 3058.0501 0.0000 0.0000 52080.6076 -109338.1096 299.3080 -161418.7171 -108970.9525 298.8179 302.5918 329.2129 763375.1506 8.5025 8.4864 PRESSURE: 927400 110.558 197.199 -162.745 197.199 -41.5213 78.3943 -162.745 78.3939 123.895 GPRESSURE: 927400 125.018 134.913 -113.758 163.424 -16.3028 45.8137 -83.3768 113.557 139.552 PRESSAVG: 927400 4.14407 3.82053 -24.7959 3.8205 41.2902 -7.0112 -24.7959 -7.01124 0.467939 GPRESSAVG: 927400 3.23236 2.57403 -24.4787 4.823 42.3332 -8.22005 -24.1929 -6.07797 0.194304 TIMING: 927400 CPU: 2930.33, 0.0031831/step Wall: 2930.33, 0.0031831/step, 3.60097 hours remaining, 234.804688 MB of memory in use. ENERGY: 927400 3990.6195 20542.6283 14472.0065 246.9375 -203423.7037 2761.2268 0.0000 0.0000 52057.5655 -109352.7195 299.1755 -161410.2850 -108972.8329 299.2918 64.3107 82.7556 763594.0623 15.3007 15.2533 PRESSURE: 927600 160.424 -55.531 -51.0736 -55.5315 371.611 59.9415 -51.0733 59.9409 420.649 GPRESSURE: 927600 219.157 -91.5414 -139.211 -64.4212 387.899 102.578 -26.4024 93.1568 430.213 PRESSAVG: 927600 -79.0711 -29.8902 -20.8299 -29.8901 8.921 46.1183 -20.8299 46.1183 17.4571 GPRESSAVG: 927600 -78.6977 -30.7458 -22.6636 -29.1343 8.65011 46.4307 -21.7678 46.6237 17.2811 TIMING: 927600 CPU: 2930.96, 0.00315277/step Wall: 2930.96, 0.00315277/step, 3.56648 hours remaining, 234.804688 MB of memory in use. ENERGY: 927600 3979.5126 20543.2177 14493.2643 251.7955 -203587.2652 3086.2159 0.0000 0.0000 51991.4993 -109241.7599 298.7959 -161233.2592 -108880.0690 298.6004 317.5616 345.7563 763198.4047 -17.5643 -17.5888 PRESSURE: 927800 277.302 -92.8751 19.7746 -92.875 -110.931 -16.9427 19.775 -16.9434 -22.76 GPRESSURE: 927800 329.299 -151.313 -25.4749 -138.915 -93.883 25.9552 183.614 11.9635 -12.3575 PRESSAVG: 927800 5.30151 -25.0078 -17.1559 -25.0079 -4.29344 -31.5776 -17.156 -31.5776 -16.2972 GPRESSAVG: 927800 5.88128 -23.2186 -17.0911 -25.8636 -4.06172 -31.6365 -15.7506 -31.8051 -16.9569 TIMING: 927800 CPU: 2931.59, 0.00316141/step Wall: 2931.59, 0.00316141/step, 3.57608 hours remaining, 234.804688 MB of memory in use. ENERGY: 927800 4028.5771 20473.3367 14499.8275 241.2728 -203069.6751 2709.0397 0.0000 0.0000 51981.2986 -109136.3228 298.7372 -161117.6214 -108764.5458 299.9013 47.8705 74.3527 763179.5629 -5.0964 -5.0458 PRESSURE: 928000 57.5792 10.9589 53.4101 10.9587 -110.551 -123.608 53.4101 -123.608 122.646 GPRESSURE: 928000 74.0362 -12.5361 37.9195 -33.8419 -81.9243 -87.9021 46.2656 -182.949 151.222 PRESSAVG: 928000 -32.6824 -26.0517 -27.858 -26.0518 -1.81707 -38.3103 -27.858 -38.3104 -15.4763 GPRESSAVG: 928000 -32.1542 -25.5524 -28.2603 -26.4216 -2.42676 -38.1626 -28.0216 -40.2194 -15.7557 TIMING: 928000 CPU: 2932.22, 0.00314283/step Wall: 2932.22, 0.00314283/step, 3.55489 hours remaining, 234.804688 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: 928000 4037.1054 20593.2741 14462.9885 249.0785 -203088.0814 2394.3764 0.0000 0.0000 52193.1338 -109158.1248 299.9547 -161351.2586 -108798.5582 300.2371 23.2247 47.7781 764691.1061 -16.6586 -16.7789 PRESSURE: 928200 -77.4582 -31.7209 -119.002 -31.7221 248.987 37.3398 -119.003 37.3402 284.278 GPRESSURE: 928200 18.5676 8.92965 -214.953 -70.6372 208.616 7.47847 -134.398 125.722 291.047 PRESSAVG: 928200 -19.3244 -2.36767 -28.7457 -2.36764 34.1373 3.95507 -28.7457 3.95505 1.27419 GPRESSAVG: 928200 -20.6098 -3.94351 -29.0811 -1.25177 34.6702 2.86276 -28.7697 6.7524 2.43906 TIMING: 928200 CPU: 2932.85, 0.00315439/step Wall: 2932.85, 0.00315439/step, 3.56779 hours remaining, 234.804688 MB of memory in use. ENERGY: 928200 3990.4656 20488.4704 14492.0761 246.9534 -203281.7530 2653.9840 0.0000 0.0000 52212.9701 -109196.8335 300.0687 -161409.8035 -108832.3905 299.8709 151.9357 172.7434 761081.5010 5.3624 5.4998 LDB: ============= START OF LOAD BALANCING ============== 2945.39 LDB: ============== END OF LOAD BALANCING =============== 2945.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2945.39 LDB: ============= START OF LOAD BALANCING ============== 2945.7 LDB: Largest compute 7078 load 0.032939 is 16.8% of average load 0.195486 LDB: Average compute 0.004384 is 2.2% of average load 0.195486 LDB: TIME 2945.71 LOAD: AVG 0.195486 MAX 0.212787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.871 MB LDB: TIME 2945.71 LOAD: AVG 0.195486 MAX 0.212787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.875 MB LDB: TIME 2945.71 LOAD: AVG 0.195486 MAX 0.212787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.875 MB LDB: ============== END OF LOAD BALANCING =============== 2945.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2945.71 PRESSURE: 928400 -113.181 69.4443 177.764 69.4432 -116.786 124.993 177.764 124.993 -245.964 GPRESSURE: 928400 -49.4182 -13.3303 231.641 66.8956 -121.06 131.841 206.121 102.142 -228.723 PRESSAVG: 928400 -20.4721 -0.0465657 3.41233 -0.0465917 31.7697 11.7933 3.41234 11.7933 17.1237 GPRESSAVG: 928400 -20.121 1.04612 4.2567 0.0780472 31.9455 14.0063 0.856103 9.39056 17.0197 TIMING: 928400 CPU: 2933.5, 0.0032181/step Wall: 2933.5, 0.0032181/step, 3.63967 hours remaining, 232.359375 MB of memory in use. ENERGY: 928400 4044.1587 20381.7990 14486.4615 239.3187 -203007.6656 2398.3665 0.0000 0.0000 52184.7006 -109272.8606 299.9062 -161457.5611 -108901.2831 299.4286 -158.6437 -133.0671 762785.2194 9.4738 9.6147 PRESSURE: 928600 -192.618 239.293 20.465 239.293 164.377 -5.06702 20.4653 -5.06523 -138.833 GPRESSURE: 928600 -114.257 333.419 82.9917 161.714 172.337 -108.976 30.8086 59.2799 -148.367 PRESSAVG: 928600 12.0031 6.74032 -8.5116 6.7403 72.1912 -52.7481 -8.51159 -52.7481 34.8814 GPRESSAVG: 928600 12.3557 7.34613 -8.72476 5.31536 71.3285 -55.2315 -7.66834 -51.3104 34.6003 TIMING: 928600 CPU: 2934.13, 0.00315783/step Wall: 2934.13, 0.00315783/step, 3.57133 hours remaining, 232.359375 MB of memory in use. ENERGY: 928600 3964.5512 20338.8128 14503.7879 244.8356 -203034.9350 2476.3587 0.0000 0.0000 52100.3338 -109406.2550 299.4213 -161506.5888 -109041.3606 299.0779 -55.6913 -30.0959 762126.9052 39.6919 39.4282 PRESSURE: 928800 -194.578 137.967 -15.679 137.968 -659.229 -10.6015 -15.6787 -10.6011 139.091 GPRESSURE: 928800 -18.8545 130.167 -2.81228 -17.5622 -649.99 -25.108 -81.6825 103.51 39.7066 PRESSAVG: 928800 -52.9969 27.1459 9.53321 27.1459 19.2177 54.4244 9.53326 54.4245 14.3636 GPRESSAVG: 928800 -54.1035 26.5692 8.56417 26.7899 20.1903 56.3548 9.32666 53.3053 14.5577 TIMING: 928800 CPU: 2934.76, 0.00314919/step Wall: 2934.76, 0.0031492/step, 3.56139 hours remaining, 232.562500 MB of memory in use. ENERGY: 928800 4012.4588 20403.4141 14431.3636 259.1744 -203489.2230 2614.7487 0.0000 0.0000 52163.0459 -109605.0174 299.7817 -161768.0634 -109248.4665 299.3085 -238.2391 -209.7125 760886.3441 -6.4719 -6.4518 PRESSURE: 929000 -199.447 158.05 105.303 158.05 -422.495 61.2349 105.303 61.2345 -113.903 GPRESSURE: 929000 -293.803 226.86 72.7056 100.869 -247.506 65.3483 81.2784 -41.462 -99.7181 PRESSAVG: 929000 -54.0542 7.68694 -1.03667 7.6869 19.9153 53.3697 -1.0367 53.3696 -1.99793 GPRESSAVG: 929000 -52.8774 7.61758 -0.720134 8.99638 19.2299 51.6252 0.42137 54.082 -2.28009 TIMING: 929000 CPU: 2935.39, 0.00314241/step Wall: 2935.39, 0.00314241/step, 3.55354 hours remaining, 232.562500 MB of memory in use. ENERGY: 929000 4001.4135 20338.3002 14479.8791 230.9731 -203052.7763 2460.9119 0.0000 0.0000 51831.2134 -109710.0851 297.8747 -161541.2986 -109343.8550 298.4674 -245.2816 -213.6758 761004.0944 -12.0456 -11.9759 PRESSURE: 929200 -285.907 -90.6666 -159.28 -90.6658 5.39463 -162.811 -159.28 -162.812 246.959 GPRESSURE: 929200 -221.415 -134.453 -144.795 84.8563 12.3798 -195.326 -116.2 -201.613 271.053 PRESSAVG: 929200 17.8542 -14.722 41.3969 -14.722 -14.1235 -41.0465 41.3969 -41.0465 -14.4781 GPRESSAVG: 929200 18.1623 -16.0127 40.6424 -14.8327 -14.7169 -40.6553 42.7514 -42.1476 -14.2656 TIMING: 929200 CPU: 2936.01, 0.00314048/step Wall: 2936.01, 0.00314048/step, 3.55119 hours remaining, 232.562500 MB of memory in use. ENERGY: 929200 3993.4261 20438.6377 14475.1877 251.4177 -203580.4349 2770.8135 0.0000 0.0000 51858.5051 -109792.4470 298.0315 -161650.9521 -109430.9708 298.1200 -11.1843 20.6724 761453.9789 -3.5825 -3.6068 PRESSURE: 929400 18.5472 -137.754 -40.7506 -137.753 -142.739 78.0646 -40.7502 78.0653 88.7624 GPRESSURE: 929400 29.6299 -62.1183 -16.9807 -152.226 -122.968 142.021 -43.7518 84.404 141.693 PRESSAVG: 929400 38.3243 -49.7971 31.4564 -49.7971 -43.6068 -30.487 31.4564 -30.487 -3.91516 GPRESSAVG: 929400 36.9975 -48.0961 31.5336 -48.3317 -42.1666 -30.0695 28.9127 -28.7238 -3.9815 TIMING: 929400 CPU: 2936.64, 0.00313168/step Wall: 2936.64, 0.00313168/step, 3.54106 hours remaining, 232.562500 MB of memory in use. ENERGY: 929400 4008.7460 20480.5224 14494.8240 240.5443 -203515.1887 2625.2755 0.0000 0.0000 52034.9819 -109630.2946 299.0458 -161665.2765 -109264.8314 298.0707 -11.8100 16.1181 761993.1262 -3.0659 -3.0502 PRESSURE: 929600 -89.101 143.546 35.4047 143.546 -11.3288 159.943 35.4044 159.943 -67.3003 GPRESSURE: 929600 -90.231 54.8945 24.3929 91.9186 -4.64605 77.8061 -83.8436 11.125 6.98347 PRESSAVG: 929600 30.5857 8.79252 30.9048 8.79256 -57.9267 27.7542 30.9049 27.7543 -14.0917 GPRESSAVG: 929600 32.1453 7.17804 31.541 7.30671 -58.5423 27.4776 31.0663 26.712 -15.005 TIMING: 929600 CPU: 2937.27, 0.00312881/step Wall: 2937.27, 0.00312881/step, 3.53765 hours remaining, 232.562500 MB of memory in use. ENERGY: 929600 4020.6161 20380.0484 14457.4610 244.4628 -203673.4950 2777.4356 0.0000 0.0000 52207.4817 -109585.9894 300.0371 -161793.4711 -109228.1864 299.1530 -55.9101 -29.2979 760960.0792 -13.8109 -13.8007 PRESSURE: 929800 -246.888 -250.124 28.3985 -250.124 108.625 197.031 28.3991 197.031 -50.1094 GPRESSURE: 929800 -108.843 -202.217 -9.68935 -149.001 119.182 212.564 -34.4982 162.302 -108.596 PRESSAVG: 929800 38.8975 2.03964 56.8643 2.03966 -0.848655 29.0568 56.8643 29.0568 -8.38208 GPRESSAVG: 929800 38.655 2.39146 56.7923 2.69351 -1.45699 27.1348 56.6417 30.4277 -7.99546 TIMING: 929800 CPU: 2937.89, 0.00313267/step Wall: 2937.89, 0.00313267/step, 3.54183 hours remaining, 232.550781 MB of memory in use. ENERGY: 929800 4035.4606 20557.2766 14453.1735 251.2713 -203422.4685 2690.1702 0.0000 0.0000 51952.3399 -109482.7765 298.5708 -161435.1164 -109126.8683 299.0368 -62.7909 -32.7522 762288.1389 9.8889 9.7342 PRESSURE: 930000 211.769 0.482208 47.1535 0.482415 253.251 23.9055 47.1547 23.9056 -104.6 GPRESSURE: 930000 243.402 29.2521 93.9284 27.3947 349.536 73.0615 49.2566 70.4256 -152.892 PRESSAVG: 930000 17.6702 15.5058 23.0261 15.5058 -49.5001 3.67997 23.0261 3.67998 6.31013 GPRESSAVG: 930000 17.4375 15.2505 23.2078 15.1546 -49.355 4.88454 22.4806 3.83068 6.61969 TIMING: 930000 CPU: 2938.53, 0.00316112/step Wall: 2938.53, 0.00316112/step, 3.57382 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: 930000 3993.2103 20386.5194 14391.8229 261.4193 -203852.7753 2934.2779 0.0000 0.0000 52318.1628 -109567.3627 300.6732 -161885.5256 -109196.7316 298.6732 120.1401 146.6820 762029.5937 -8.5066 -8.4326 PRESSURE: 930200 257.974 -57.1776 139.202 -57.1768 -189.617 52.3906 139.202 52.3892 -244.187 GPRESSURE: 930200 243.031 2.03006 149.417 -73.2563 -92.4002 109.251 187.818 -17.2682 -233.468 PRESSAVG: 930200 33.0729 -9.11884 -17.0265 -9.11881 -70.0789 -24.6789 -17.0265 -24.6789 15.1338 GPRESSAVG: 930200 32.6364 -6.99841 -16.2513 -8.74177 -69.1269 -22.8506 -15.4558 -25.7323 15.2237 TIMING: 930200 CPU: 2939.16, 0.00314857/step Wall: 2939.16, 0.00314857/step, 3.55946 hours remaining, 232.562500 MB of memory in use. ENERGY: 930200 4100.6286 20458.3663 14483.9613 248.1628 -203277.0310 2566.8200 0.0000 0.0000 51911.3805 -109507.7116 298.3354 -161419.0920 -109151.7273 298.8881 -58.6101 -27.6121 759793.3612 -7.2907 -7.0889 PRESSURE: 930400 -347.433 263.815 19.7507 263.815 -47.392 155.746 19.7505 155.747 155.168 GPRESSURE: 930400 -358.538 131.084 -30.2735 102.119 11.9598 87.8307 -55.3914 175.391 195.06 PRESSAVG: 930400 36.7374 22.6616 -38.762 22.6616 -27.5741 1.5061 -38.762 1.5061 1.06853 GPRESSAVG: 930400 35.0911 19.5988 -40.2328 22.1457 -27.3344 -1.01121 -40.965 2.46642 1.88923 TIMING: 930400 CPU: 2939.79, 0.00316339/step Wall: 2939.79, 0.00316339/step, 3.57604 hours remaining, 232.562500 MB of memory in use. ENERGY: 930400 4068.7075 20457.4919 14457.8448 250.4269 -203545.8615 2585.9523 0.0000 0.0000 52255.3690 -109470.0690 300.3123 -161725.4381 -109113.4713 299.0379 -79.8857 -50.5062 760653.2739 3.4106 3.2153 PRESSURE: 930600 -101.295 -64.4199 81.0268 -64.4185 -74.5395 98.7078 81.0264 98.7081 182.482 GPRESSURE: 930600 -47.9518 -196.428 74.6495 24.7793 -77.6049 113.074 97.1954 141.404 216.745 PRESSAVG: 930600 -5.38657 -3.29773 -22.8974 -3.29779 -8.61696 -18.8114 -22.8974 -18.8114 -0.723191 GPRESSAVG: 930600 -3.51658 -4.03208 -22.2969 -2.96117 -9.84082 -16.419 -23.4245 -20.8017 -0.314455 TIMING: 930600 CPU: 2940.42, 0.00315202/step Wall: 2940.42, 0.00315202/step, 3.56301 hours remaining, 232.562500 MB of memory in use. ENERGY: 930600 4009.3318 20517.5395 14414.3621 251.6552 -203043.2993 2546.2746 0.0000 0.0000 52038.8908 -109265.2453 299.0682 -161304.1361 -108906.0523 299.1333 2.2160 30.3959 762197.4457 -4.9089 -4.5573 PRESSURE: 930800 -164.279 -58.4785 -120.645 -58.479 -63.1224 -260.511 -120.646 -260.511 -24.9087 GPRESSURE: 930800 -161.158 -23.6183 -98.2754 -90.1592 13.9815 -236.969 -152.214 -181.972 -14.0511 PRESSAVG: 930800 39.6914 -7.7177 1.48685 -7.71777 -29.6244 24.4291 1.48688 24.4291 -16.2734 GPRESSAVG: 930800 40.2992 -6.40045 0.774499 -8.70116 -29.0315 24.2849 2.62298 24.9543 -17.3421 TIMING: 930800 CPU: 2941.05, 0.00314569/step Wall: 2941.05, 0.00314569/step, 3.55568 hours remaining, 232.562500 MB of memory in use. ENERGY: 930800 3994.9761 20630.3851 14431.9728 240.3215 -203681.5033 2874.0504 0.0000 0.0000 52306.8635 -109202.9340 300.6083 -161509.7975 -108835.3540 299.7549 -84.1034 -53.7425 763332.5353 -2.0688 -2.0248 PRESSURE: 931000 144.509 178.465 -105.532 178.466 94.1435 25.7115 -105.531 25.711 136.507 GPRESSURE: 931000 293.179 129.495 -25.4068 237.487 61.8004 -68.1667 -110.208 -5.78189 103.509 PRESSAVG: 931000 61.6116 23.1104 -28.8774 23.1104 -59.1803 36.9553 -28.8775 36.9553 -12.6633 GPRESSAVG: 931000 61.0737 21.2076 -28.862 25.5091 -59.1739 37.0933 -27.0927 36.1932 -12.2501 TIMING: 931000 CPU: 2941.68, 0.00314729/step Wall: 2941.68, 0.00314729/step, 3.55731 hours remaining, 232.562500 MB of memory in use. ENERGY: 931000 4087.4200 20435.5324 14449.6919 258.5829 -203748.1390 2980.8327 0.0000 0.0000 52229.4749 -109306.6043 300.1635 -161536.0792 -108954.8066 299.7476 125.0529 152.8293 761612.7878 -3.4107 -3.4501 PRESSURE: 931200 -418.366 -136.357 1.59217 -136.356 -63.4636 146.602 1.59167 146.601 50.1234 GPRESSURE: 931200 -274.109 -155.28 66.5683 -60.3076 -32.0332 156.137 14.9302 108.053 -45.2092 PRESSAVG: 931200 41.611 42.447 -8.64613 42.447 4.34056 -22.3607 -8.64604 -22.3608 15.0142 GPRESSAVG: 931200 42.5579 44.316 -8.20114 42.127 4.356 -23.0133 -10.5917 -21.1383 14.3202 TIMING: 931200 CPU: 2942.3, 0.00313772/step Wall: 2942.3, 0.00313772/step, 3.54632 hours remaining, 232.562500 MB of memory in use. ENERGY: 931200 4102.6133 20473.8647 14396.6378 234.2265 -203477.9889 2775.4725 0.0000 0.0000 52150.8456 -109344.3285 299.7116 -161495.1741 -108979.2267 299.4089 -143.9021 -117.1172 763212.1449 20.3219 20.4114 PRESSURE: 931400 224.058 -77.0123 -118.004 -77.0127 194.111 -97.0053 -118.003 -97.0058 -175.051 GPRESSURE: 931400 232.242 -182.917 -179.153 -17.1157 298.64 -96.3658 -178.473 -137.608 -183.126 PRESSAVG: 931400 10.6592 9.56533 -7.17239 9.56532 -30.3525 -20.9883 -7.17241 -20.9882 -14.7361 GPRESSAVG: 931400 9.64085 11.8494 -6.34655 9.04806 -30.03 -20.9813 -7.26724 -20.4911 -14.1053 TIMING: 931400 CPU: 2942.93, 0.00312296/step Wall: 2942.93, 0.00312296/step, 3.52947 hours remaining, 232.562500 MB of memory in use. ENERGY: 931400 3955.1871 20604.5831 14488.6096 252.1020 -203497.6957 2938.3807 0.0000 0.0000 52037.8389 -109220.9943 299.0622 -161258.8332 -108856.7903 299.3761 81.0392 115.9187 764350.5257 -11.4765 -11.4982 PRESSURE: 931600 135.498 -6.21167 -16.7811 -6.21152 -172.798 -27.4007 -16.7803 -27.4018 189.615 GPRESSURE: 931600 104.88 -6.42945 104.283 29.3311 -130.614 -90.041 47.459 113.584 271.377 PRESSAVG: 931600 52.7255 -19.2686 -27.5335 -19.2687 -7.29901 -35.4358 -27.5335 -35.4358 19.3966 GPRESSAVG: 931600 53.4529 -20.0707 -27.052 -19.6857 -7.33328 -35.8625 -27.335 -34.7055 18.9282 TIMING: 931600 CPU: 2943.56, 0.00316879/step Wall: 2943.56, 0.00316879/step, 3.58108 hours remaining, 232.562500 MB of memory in use. ENERGY: 931600 3979.6114 20526.2432 14475.7906 210.6585 -203354.8566 2823.2352 0.0000 0.0000 51970.0025 -109369.3152 298.6723 -161339.3177 -109007.7536 299.3352 50.7715 81.8808 762778.1947 21.6077 21.6826 PRESSURE: 931800 288.268 29.3276 -45.3408 29.3277 -135.693 -316.922 -45.3411 -316.921 153.582 GPRESSURE: 931800 304.729 -13.647 -5.37297 -101.216 -116.951 -195.178 6.20097 -354.014 195.537 PRESSAVG: 931800 23.9176 -17.3741 15.4955 -17.3742 -32.9565 24.6765 15.4955 24.6765 -16.3988 GPRESSAVG: 931800 24.5514 -16.6385 14.4688 -17.7155 -34.3217 27.4446 16.3095 23.7886 -15.5415 TIMING: 931800 CPU: 2944.2, 0.00317508/step Wall: 2944.2, 0.00317508/step, 3.58802 hours remaining, 232.562500 MB of memory in use. ENERGY: 931800 4000.2751 20548.2084 14504.2452 245.4235 -203560.5765 2641.2493 0.0000 0.0000 51893.9803 -109727.1948 298.2354 -161621.1751 -109372.8763 298.6669 102.0526 127.7717 761137.6277 -8.4792 -8.4373 PRESSURE: 932000 -64.0117 72.8712 92.4206 72.8705 -106.556 137.022 92.4202 137.023 -48.6403 GPRESSURE: 932000 -18.6216 46.5941 80.2376 135.167 -99.9176 200.399 166.689 100.444 -39.594 PRESSAVG: 932000 58.7758 -6.8521 -15.896 -6.852 -54.9615 -27.2884 -15.896 -27.2884 -2.38435 GPRESSAVG: 932000 57.7547 -7.69407 -15.7723 -8.30637 -53.2763 -29.4353 -16.8206 -26.7872 -3.3939 TIMING: 932000 CPU: 2944.83, 0.00315627/step Wall: 2944.83, 0.00315627/step, 3.56658 hours remaining, 232.562500 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: 932000 3930.0737 20518.3447 14530.9646 236.9712 -203275.0622 2523.3927 0.0000 0.0000 51940.8177 -109594.4974 298.5046 -161535.3151 -109236.0608 298.1344 -73.0693 -52.7111 761975.1649 0.4766 0.3615 PRESSURE: 932200 -262.428 -32.6839 -6.83233 -32.6846 -32.5367 -140.234 -6.83177 -140.235 294.658 GPRESSURE: 932200 -184.568 47.3027 36.3498 -51.5013 62.9774 -188.384 53.4012 -149.815 206.527 PRESSAVG: 932200 8.45507 -57.0636 -25.9862 -57.0636 -26.7859 -10.4255 -25.9862 -10.4256 1.94613 GPRESSAVG: 932200 8.62086 -57.4697 -27.061 -53.3223 -26.5029 -9.87053 -26.4157 -10.231 1.31231 TIMING: 932200 CPU: 2945.46, 0.00315763/step Wall: 2945.46, 0.00315763/step, 3.56795 hours remaining, 232.550781 MB of memory in use. ENERGY: 932200 3932.6254 20395.9210 14431.5239 279.5864 -203304.0459 2593.0224 0.0000 0.0000 52173.3983 -109497.9685 299.8412 -161671.3668 -109137.6713 298.9509 -0.1023 28.3120 763016.1059 -5.4616 -5.5232 LDB: ============= START OF LOAD BALANCING ============== 2957.99 LDB: ============== END OF LOAD BALANCING =============== 2957.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2957.99 LDB: ============= START OF LOAD BALANCING ============== 2958.31 LDB: Largest compute 7077 load 0.031055 is 15.9% of average load 0.195331 LDB: Average compute 0.004391 is 2.2% of average load 0.195331 LDB: TIME 2958.31 LOAD: AVG 0.195331 MAX 0.220488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.859 MB LDB: TIME 2958.31 LOAD: AVG 0.195331 MAX 0.220488 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.859 MB LDB: TIME 2958.31 LOAD: AVG 0.195331 MAX 0.217961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.859 MB LDB: ============== END OF LOAD BALANCING =============== 2958.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2958.32 PRESSURE: 932400 384 -182.939 -105.163 -182.94 169.961 -24.9779 -105.162 -24.9779 -18.9147 GPRESSURE: 932400 333.299 -132.632 -91.573 -219.656 202.09 -36.6039 -164.365 103.412 93.2348 PRESSAVG: 932400 42.0194 33.0434 70.593 33.0433 -30.7747 0.528201 70.593 0.528154 7.99384 GPRESSAVG: 932400 41.2282 33.4516 71.9434 32.1987 -30.9789 0.34777 71.5604 0.690418 9.62149 TIMING: 932400 CPU: 2946.1, 0.00319983/step Wall: 2946.1, 0.00319983/step, 3.61546 hours remaining, 232.871094 MB of memory in use. ENERGY: 932400 3964.1267 20351.7167 14526.6341 259.2442 -203739.8073 2830.9864 0.0000 0.0000 52043.4951 -109763.6042 299.0947 -161807.0993 -109386.3167 298.8475 178.3490 209.5413 761517.9465 6.4128 6.6236 PRESSURE: 932600 -25.1275 -14.555 -49.4112 -14.5555 -366.127 -8.49301 -49.4106 -8.49226 -109.192 GPRESSURE: 932600 38.9136 -67.8362 22.963 -35.3264 -375.866 10.5119 29.507 -51.6565 -97.4312 PRESSAVG: 932600 2.64335 8.13729 -6.79721 8.13729 -24.1704 5.53474 -6.79719 5.53473 20.3891 GPRESSAVG: 932600 2.90361 5.9372 -6.62718 6.03005 -24.0656 5.57415 -7.9778 6.25724 19.8841 TIMING: 932600 CPU: 2946.73, 0.00314831/step Wall: 2946.73, 0.00314831/step, 3.55707 hours remaining, 233.167969 MB of memory in use. ENERGY: 932600 3964.1316 20578.5920 14484.7876 231.3575 -203853.4535 2882.6196 0.0000 0.0000 52034.1101 -109677.8551 299.0407 -161711.9652 -109308.3935 298.6442 -166.8155 -144.7944 761103.0537 -0.3793 -0.4260 PRESSURE: 932800 -202.524 66.1814 107.923 66.1826 61.678 126.372 107.922 126.373 -256.426 GPRESSURE: 932800 -113.29 -25.2386 50.8382 30.4587 62.2349 65.7744 5.56069 165.348 -254.371 PRESSAVG: 932800 86.4836 -31.7532 -46.347 -31.7532 -68.6281 17.6727 -46.347 17.6726 -5.28395 GPRESSAVG: 932800 86.8519 -30.0113 -45.4821 -31.1743 -69.6351 17.4087 -48.1298 17.6439 -4.9655 TIMING: 932800 CPU: 2947.36, 0.00314267/step Wall: 2947.36, 0.00314267/step, 3.55052 hours remaining, 233.167969 MB of memory in use. ENERGY: 932800 3945.8714 20581.9188 14488.3902 243.2489 -203677.0240 2784.4455 0.0000 0.0000 51998.8667 -109634.2826 298.8382 -161633.1492 -109280.0233 299.0382 -132.4240 -101.8085 762752.2582 4.1905 4.0838 PRESSURE: 933000 33.7549 65.2571 22.7908 65.2569 162.588 207.039 22.7899 207.039 46.9136 GPRESSURE: 933000 15.6823 69.1308 77.8799 103.335 169.607 172.901 73.0892 219.802 132.698 PRESSAVG: 933000 72.0455 23.261 -3.43297 23.261 -73.0611 -35.0672 -3.43296 -35.0672 -3.30495 GPRESSAVG: 933000 72.2796 22.263 -4.93977 23.6612 -73.225 -33.9448 -0.785252 -37.7239 -3.00284 TIMING: 933000 CPU: 2947.99, 0.0031635/step Wall: 2947.99, 0.0031635/step, 3.57388 hours remaining, 233.167969 MB of memory in use. ENERGY: 933000 3916.7720 20459.7862 14511.9799 236.4977 -203620.1576 2751.0160 0.0000 0.0000 52174.4870 -109569.6188 299.8475 -161744.1058 -109212.6666 298.9511 81.0857 105.9959 761195.4580 -1.4402 -1.3161 PRESSURE: 933200 460.415 200.346 -293.355 200.347 -39.4218 -139.849 -293.356 -139.85 9.80925 GPRESSURE: 933200 422.133 147.984 -319.035 210.708 39.5394 -61.5987 -441.771 -21.8645 47.1577 PRESSAVG: 933200 -5.25942 20.7352 -42.95 20.7353 -10.7314 -29.8943 -42.9501 -29.8943 9.1986 GPRESSAVG: 933200 -5.61337 21.7871 -43.6173 21.9046 -11.2622 -30.8446 -43.3926 -27.0396 9.61641 TIMING: 933200 CPU: 2948.62, 0.00312698/step Wall: 2948.62, 0.00312698/step, 3.53244 hours remaining, 233.167969 MB of memory in use. ENERGY: 933200 4082.4191 20532.7293 14520.9532 261.5752 -203679.3742 2963.0355 0.0000 0.0000 51941.9421 -109376.7199 298.5111 -161318.6619 -109017.9299 298.8110 143.6007 169.6101 763185.4529 -2.2641 -2.4197 PRESSURE: 933400 90.0929 -239.632 159.427 -239.632 -265.736 -8.2024 159.427 -8.20154 -194.084 GPRESSURE: 933400 39.2076 -99.0536 175.348 -217.984 -68.0248 -16.4121 133.212 -126.343 -252.332 PRESSAVG: 933400 68.4988 23.7491 -3.62439 23.7491 -77.2483 -60.585 -3.62438 -60.585 3.00305 GPRESSAVG: 933400 68.4724 25.6165 -3.13705 22.6758 -76.5359 -61.245 -5.99466 -60.5405 2.4568 TIMING: 933400 CPU: 2949.25, 0.00315158/step Wall: 2949.25, 0.00315158/step, 3.56006 hours remaining, 233.167969 MB of memory in use. ENERGY: 933400 4005.5089 20367.8852 14536.7892 240.1551 -203549.6786 2691.5569 0.0000 0.0000 52241.2389 -109466.5446 300.2311 -161707.7834 -109096.0735 299.2938 -123.2426 -93.7163 763328.4191 -1.9155 -1.8689 PRESSURE: 933600 37.357 6.48717 -110.492 6.48739 -77.8092 -78.3536 -110.492 -78.353 93.0102 GPRESSURE: 933600 -3.19766 20.643 -58.2077 2.23801 -0.152456 -153.831 -140.581 -231.517 153.989 PRESSAVG: 933600 41.4193 -53.8287 5.83129 -53.8287 -95.2104 -3.81134 5.83123 -3.81128 -7.33914 GPRESSAVG: 933600 41.3215 -54.1621 5.9102 -52.8603 -94.7812 -4.5442 6.8305 -5.61238 -7.9843 TIMING: 933600 CPU: 2949.88, 0.0031483/step Wall: 2949.88, 0.0031483/step, 3.55617 hours remaining, 233.167969 MB of memory in use. ENERGY: 933600 4032.6575 20492.6946 14509.7866 232.8743 -203563.8750 2745.6148 0.0000 0.0000 52198.9731 -109351.2742 299.9882 -161550.2472 -108989.1312 298.6164 17.5193 50.2130 761019.7536 -20.3768 -20.4813 PRESSURE: 933800 9.63291 -64.4707 -212.572 -64.4709 220.986 -13.158 -212.572 -13.1574 172.527 GPRESSURE: 933800 57.83 -74.015 -136.513 -9.33201 266.617 -13.246 -197.498 159.166 156.441 PRESSAVG: 933800 17.1157 -6.78502 -23.3971 -6.78503 -5.15329 -3.74306 -23.3971 -3.74307 7.53059 GPRESSAVG: 933800 16.9832 -7.20721 -24.3352 -7.39355 -4.6963 -0.95185 -22.1485 -2.10486 7.29782 TIMING: 933800 CPU: 2950.51, 0.00316617/step Wall: 2950.51, 0.00316617/step, 3.57619 hours remaining, 233.167969 MB of memory in use. ENERGY: 933800 3999.7046 20480.2903 14456.5851 244.9799 -203996.4700 3010.4358 0.0000 0.0000 52242.0391 -109562.4352 300.2357 -161804.4743 -109199.2004 299.4233 134.3819 160.2959 761618.9325 6.4977 6.5282 PRESSURE: 934000 59.9321 -8.67244 36.4645 -8.67181 -81.9938 42.3008 36.4637 42.3019 -69.6961 GPRESSURE: 934000 118.339 100.837 88.1104 31.5529 -95.9939 -6.85791 14.9289 131.298 -41.2357 PRESSAVG: 934000 1.77956 15.1537 -13.3809 15.1537 44.9763 25.0715 -13.3809 25.0714 8.07892 GPRESSAVG: 934000 2.60472 14.8988 -12.3179 13.413 43.0986 22.9993 -13.6946 24.4374 8.82466 TIMING: 934000 CPU: 2951.14, 0.00315274/step Wall: 2951.14, 0.00315274/step, 3.56084 hours remaining, 233.167969 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: 934000 3903.0304 20559.3634 14439.9235 271.0500 -203507.2595 2782.3931 0.0000 0.0000 51914.2456 -109637.2535 298.3519 -161551.4991 -109275.1053 298.6016 -30.5859 -6.2969 762922.7695 18.2783 18.1760 PRESSURE: 934200 411.189 50.3426 -18.6942 50.3429 6.44957 111.711 -18.6941 111.711 -316.435 GPRESSURE: 934200 428.575 50.9486 -56.3862 49.4945 47.3088 77.7505 41.288 213.381 -287.349 PRESSAVG: 934200 -13.3616 -9.0908 9.0437 -9.09074 21.9032 -44.8181 9.04367 -44.818 -6.64113 GPRESSAVG: 934200 -13.61 -9.57661 10.5908 -7.0776 22.5479 -42.3652 6.50947 -46.3518 -7.0836 TIMING: 934200 CPU: 2951.77, 0.00314137/step Wall: 2951.77, 0.00314137/step, 3.54783 hours remaining, 233.167969 MB of memory in use. ENERGY: 934200 4008.4942 20428.3540 14539.1356 244.9759 -203593.6063 2796.6309 0.0000 0.0000 51909.4718 -109666.5438 298.3244 -161576.0157 -109293.8997 298.9749 33.7344 62.8451 761179.5140 0.6335 0.6181 PRESSURE: 934400 -23.7751 -44.3575 -53.2781 -44.3577 4.32581 -168.421 -53.2779 -168.422 -344.978 GPRESSURE: 934400 -8.40326 15.5927 -9.51086 -53.5472 -3.50541 -123.335 -48.7224 -224.529 -272.992 PRESSAVG: 934400 61.8784 -51.8166 40.4704 -51.8166 -73.1974 -18.4364 40.4704 -18.4365 7.72993 GPRESSAVG: 934400 60.1091 -52.9587 39.9231 -52.7405 -72.693 -21.2377 43.6292 -16.0238 8.48617 TIMING: 934400 CPU: 2952.4, 0.00313844/step Wall: 2952.4, 0.00313844/step, 3.54435 hours remaining, 233.167969 MB of memory in use. ENERGY: 934400 3986.0203 20521.1767 14496.3482 249.1092 -203685.8399 2750.8080 0.0000 0.0000 51930.0710 -109752.3064 298.4428 -161682.3774 -109386.5125 298.4401 -121.4757 -94.9670 760373.2054 -1.1963 -1.3659 PRESSURE: 934600 35.8375 82.8349 94.1209 82.8356 74.0466 -195.858 94.1201 -195.857 49.7632 GPRESSURE: 934600 162.057 64.9526 -47.3513 57.9985 43.3377 -131.032 24.7508 -180.818 3.5742 PRESSAVG: 934600 -24.9694 -17.2588 22.3802 -17.2587 -2.47256 -20.1771 22.3802 -20.1771 9.29029 GPRESSAVG: 934600 -23.1041 -17.6283 21.3533 -16.3599 -3.01088 -20.4985 19.4937 -21.4825 8.04199 TIMING: 934600 CPU: 2953.02, 0.00313996/step Wall: 2953.02, 0.00313996/step, 3.54589 hours remaining, 233.167969 MB of memory in use. ENERGY: 934600 3954.0336 20537.5656 14413.6599 268.5051 -203469.4552 2547.4315 0.0000 0.0000 51858.9310 -109889.3284 298.0340 -161748.2594 -109525.5901 298.3646 53.2158 69.6564 760444.8044 -6.0506 -6.0243 PRESSURE: 934800 110.81 165.397 -21.1551 165.397 107.367 50.7871 -21.1554 50.7866 93.8883 GPRESSURE: 934800 192.374 103.342 38.1707 -0.881822 113.202 185.552 -87.0588 -69.6726 72.7732 PRESSAVG: 934800 37.9899 33.9836 -21.6674 33.9836 13.1411 -4.64495 -21.6673 -4.64493 1.4699 GPRESSAVG: 934800 37.1367 34.2214 -21.1646 32.3825 13.7026 -2.38602 -21.9536 -5.19621 1.45165 TIMING: 934800 CPU: 2953.65, 0.00315069/step Wall: 2953.65, 0.00315069/step, 3.55783 hours remaining, 233.167969 MB of memory in use. ENERGY: 934800 4045.8314 20685.2468 14471.0363 245.4662 -203748.0175 2724.3295 0.0000 0.0000 51831.9757 -109744.1314 297.8791 -161576.1071 -109389.8561 297.9973 104.0217 126.1164 760803.2079 17.5336 17.4303 PRESSURE: 935000 -33.7324 -10.3899 -109.91 -10.3892 307.416 41.2966 -109.91 41.2965 428.279 GPRESSURE: 935000 107.397 -34.7853 -47.1572 72.9724 153.64 68.0167 -64.5879 -12.59 530.721 PRESSAVG: 935000 -4.13534 -4.74309 49.8724 -4.74312 16.227 -9.66265 49.8724 -9.66262 20.2252 GPRESSAVG: 935000 -4.17039 -4.63793 48.5322 -3.70166 16.6596 -11.3623 52.1544 -9.2382 20.0537 TIMING: 935000 CPU: 2954.29, 0.00316073/step Wall: 2954.29, 0.00316073/step, 3.569 hours remaining, 233.167969 MB of memory in use. ENERGY: 935000 3924.8219 20675.9185 14459.0296 260.5853 -203938.3193 3018.6971 0.0000 0.0000 52095.6031 -109503.6636 299.3941 -161599.2668 -109152.9019 299.0076 233.9873 263.9197 760555.5034 10.7723 10.8476 PRESSURE: 935200 -262.968 -86.7892 -22.3172 -86.7893 -177.348 -104.074 -22.317 -104.074 -262.728 GPRESSURE: 935200 -261.745 -85.2066 62.7894 -73.7234 -98.3326 -10.266 57.0087 -115.146 -253.692 PRESSAVG: 935200 6.39351 -14.3079 12.2459 -14.3079 5.6635 19.0101 12.2459 19.0101 16.0789 GPRESSAVG: 935200 7.35318 -14.1441 12.7835 -12.8754 5.60456 18.2003 12.2015 20.917 15.2068 TIMING: 935200 CPU: 2954.92, 0.00315355/step Wall: 2954.92, 0.00315355/step, 3.56071 hours remaining, 233.167969 MB of memory in use. ENERGY: 935200 3990.3149 20595.6165 14479.1280 237.1009 -203123.9325 2501.6293 0.0000 0.0000 51778.9338 -109541.2089 297.5742 -161320.1427 -109182.1478 299.0897 -234.3478 -204.5899 761113.7102 9.3786 9.3882 PRESSURE: 935400 176.698 166.982 178.181 166.982 -168.53 -55.6509 178.182 -55.6517 319.523 GPRESSURE: 935400 190.436 98.6597 101.224 154.614 -139.178 -21.9461 185.88 -136.722 368.72 PRESSAVG: 935400 -11.51 41.7574 -7.95744 41.7574 7.78848 8.65266 -7.95749 8.65268 -4.34322 GPRESSAVG: 935400 -13.2199 43.0363 -7.7899 37.939 8.04985 7.79682 -6.60794 8.3864 -3.04311 TIMING: 935400 CPU: 2955.55, 0.00313745/step Wall: 2955.55, 0.00313745/step, 3.54235 hours remaining, 233.167969 MB of memory in use. ENERGY: 935400 4009.1261 20360.9560 14467.1913 240.1417 -203316.6078 2592.0281 0.0000 0.0000 51909.8961 -109737.2686 298.3269 -161647.1647 -109372.6237 298.3154 109.2305 139.9927 760592.8597 -2.6882 -2.7377 PRESSURE: 935600 -57.2079 46.5504 -99.1248 46.5501 -46.715 54.8076 -99.1247 54.8077 -4.94593 GPRESSURE: 935600 4.87239 -6.24064 -37.0263 84.2626 -46.6513 88.2231 -76.8068 57.4974 29.3715 PRESSAVG: 935600 14.7739 -14.4412 19.6055 -14.4412 -44.0343 -23.618 19.6055 -23.618 0.331568 GPRESSAVG: 935600 16.2779 -14.6398 20.2041 -14.1895 -44.9834 -21.5233 14.9123 -24.9441 0.114788 TIMING: 935600 CPU: 2956.17, 0.00313154/step Wall: 2956.17, 0.00313154/step, 3.53551 hours remaining, 233.167969 MB of memory in use. ENERGY: 935600 3991.8701 20494.1772 14459.6784 230.6849 -203693.8987 2778.9626 0.0000 0.0000 51913.0521 -109825.4733 298.3450 -161738.5254 -109456.3808 298.5274 -36.2896 -4.1358 761863.5575 -9.6429 -9.5302 PRESSURE: 935800 -35.3495 -149.588 40.7342 -149.588 -205.821 276.627 40.7345 276.627 29.7084 GPRESSURE: 935800 62.5944 -79.809 13.8159 -86.3803 -162.879 78.2715 -98.8462 138.363 -31.9086 PRESSAVG: 935800 28.394 -23.0966 1.90287 -23.0966 -36.8003 -14.6048 1.90285 -14.6049 17.0691 GPRESSAVG: 935800 27.6222 -23.5165 1.87386 -22.3744 -34.4016 -15.5136 3.39192 -15.4545 15.701 TIMING: 935800 CPU: 2956.8, 0.00313167/step Wall: 2956.8, 0.00313167/step, 3.53548 hours remaining, 233.167969 MB of memory in use. ENERGY: 935800 3955.1135 20378.2712 14415.7776 225.9396 -203670.0790 2682.8157 0.0000 0.0000 52139.6842 -109872.4772 299.6475 -162012.1614 -109499.5950 298.2795 -70.4873 -44.0642 761448.4850 2.8876 2.9739 PRESSURE: 936000 -509.696 7.30932 -87.5701 7.30939 -154.14 -25.5532 -87.5704 -25.553 -286.591 GPRESSURE: 936000 -409.95 -44.5622 -76.0846 2.08137 -134.583 -72.2848 59.9934 12.6678 -319.495 PRESSAVG: 936000 8.85338 38.498 35.1765 38.4979 -36.8967 -5.32164 35.1765 -5.32152 -16.2005 GPRESSAVG: 936000 9.30038 37.3353 33.9525 40.0558 -38.5044 -5.77974 36.6583 -3.39682 -15.7687 TIMING: 936000 CPU: 2957.43, 0.00314309/step Wall: 2957.43, 0.00314309/step, 3.54819 hours remaining, 233.167969 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: 936000 4007.9571 20565.7563 14455.6965 261.1500 -203567.8260 2635.7930 0.0000 0.0000 51775.7569 -109865.7162 297.5560 -161641.4730 -109508.0591 298.8042 -316.8092 -288.0095 762800.2355 -14.7479 -14.9909 PRESSURE: 936200 22.0389 134.974 8.97329 134.974 -230.904 9.78986 8.97359 9.79083 -203.886 GPRESSURE: 936200 70.6217 163.966 13.8381 67.1839 -176.752 16.0117 -65.7036 -34.4806 -223.866 PRESSAVG: 936200 -10.6585 -2.37548 40.1409 -2.37547 -33.4121 -7.85631 40.1408 -7.8563 -13.4457 GPRESSAVG: 936200 -9.67232 -1.19751 41.5428 -4.58086 -33.6026 -7.26703 38.4115 -8.23646 -14.3261 TIMING: 936200 CPU: 2958.05, 0.00311866/step Wall: 2958.05, 0.00311866/step, 3.52045 hours remaining, 233.167969 MB of memory in use. ENERGY: 936200 3994.3107 20488.7956 14424.9019 254.5115 -203314.5250 2569.4741 0.0000 0.0000 51826.2361 -109756.2951 297.8461 -161582.5312 -109394.3521 298.2365 -137.5838 -109.9988 761992.4984 -19.1721 -19.2003 LDB: ============= START OF LOAD BALANCING ============== 2970.58 LDB: ============== END OF LOAD BALANCING =============== 2970.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2970.58 LDB: ============= START OF LOAD BALANCING ============== 2970.9 LDB: Largest compute 7077 load 0.031610 is 16.2% of average load 0.195323 LDB: Average compute 0.004359 is 2.2% of average load 0.195323 LDB: TIME 2970.9 LOAD: AVG 0.195323 MAX 0.215763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.867 MB LDB: TIME 2970.9 LOAD: AVG 0.195323 MAX 0.215763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: TIME 2970.9 LOAD: AVG 0.195323 MAX 0.215763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: ============== END OF LOAD BALANCING =============== 2970.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2970.91 PRESSURE: 936400 239.02 -175.792 -33.019 -175.792 264.884 -103.18 -33.0191 -103.178 -181.711 GPRESSURE: 936400 131.666 -139.408 -13.2429 12.6248 287.519 -14.1765 -37.8837 -86.1081 -25.3092 PRESSAVG: 936400 17.4446 -38.6414 21.99 -38.6414 -1.49628 31.8361 21.9899 31.8362 11.0067 GPRESSAVG: 936400 15.7483 -38.8836 23.3079 -36.6368 -1.91432 32.8359 22.608 31.6347 13.4193 TIMING: 936400 CPU: 2958.69, 0.00320617/step Wall: 2958.69, 0.00320617/step, 3.61905 hours remaining, 233.640625 MB of memory in use. ENERGY: 936400 4036.9204 20573.0097 14467.7840 241.8374 -203845.1278 3000.2202 0.0000 0.0000 51923.9819 -109601.3743 298.4078 -161525.3561 -109242.4827 298.6004 107.3979 131.2918 759302.9752 8.9850 9.0844 PRESSURE: 936600 -182.187 -2.66061 -141.994 -2.66075 -76.8931 -162.729 -141.994 -162.729 26.2537 GPRESSURE: 936600 -127.922 31.6548 -89.6616 -46.6367 -108.74 -76.0946 -190.427 -222.848 83.0175 PRESSAVG: 936600 3.08632 -0.593252 6.81531 -0.593218 19.4569 -1.21316 6.81534 -1.21324 22.6094 GPRESSAVG: 936600 4.1133 -0.774234 6.34077 -3.07312 20.258 -2.02569 6.02793 -2.53642 20.55 TIMING: 936600 CPU: 2959.32, 0.00313352/step Wall: 2959.32, 0.00313352/step, 3.53687 hours remaining, 233.640625 MB of memory in use. ENERGY: 936600 3959.5740 20518.2297 14445.7239 257.9453 -203268.2105 2478.3252 0.0000 0.0000 51920.9444 -109687.4681 298.3904 -161608.4124 -109317.2911 298.9240 -77.6088 -51.2150 759356.7171 15.0509 14.9738 PRESSURE: 936800 60.5987 -20.4616 -27.6516 -20.461 -127.357 14.0787 -27.6527 14.078 -11.4428 GPRESSURE: 936800 70.6182 88.3836 -52.8165 -39.4546 -85.3228 -9.17819 -6.7103 16.2088 -4.96925 PRESSAVG: 936800 34.2669 83.6304 -41.9561 83.6304 -0.970633 -26.9369 -41.9562 -26.9369 21.1383 GPRESSAVG: 936800 34.3606 83.9469 -42.4914 84.1604 -1.23353 -26.9176 -41.671 -24.0717 21.211 TIMING: 936800 CPU: 2959.95, 0.00315077/step Wall: 2959.95, 0.00315077/step, 3.55617 hours remaining, 233.640625 MB of memory in use. ENERGY: 936800 3981.6259 20598.7004 14403.2501 261.8281 -203045.1638 2381.1576 0.0000 0.0000 51976.9214 -109441.6804 298.7121 -161418.6019 -109067.1635 299.2143 -26.0669 -6.5580 763176.6267 18.1449 18.1127 PRESSURE: 937000 -132.99 11.8413 -238.33 11.8409 71.2524 63.5839 -238.33 63.5837 -3.1439 GPRESSURE: 937000 -93.853 -48.1581 -221.241 144.932 103.482 46.6068 -104.267 67.1817 12.0105 PRESSAVG: 937000 -82.3277 17.0292 37.402 17.0292 98.7353 -23.1655 37.402 -23.1654 -33.1072 GPRESSAVG: 937000 -83.0437 17.956 35.6535 19.4333 98.9026 -22.1886 39.6119 -26.0197 -32.9535 TIMING: 937000 CPU: 2960.58, 0.00315585/step Wall: 2960.58, 0.00315585/step, 3.56173 hours remaining, 233.640625 MB of memory in use. ENERGY: 937000 3915.9922 20534.0765 14498.3029 256.8174 -203587.9114 2709.1900 0.0000 0.0000 51898.3125 -109775.2198 298.2603 -161673.5324 -109411.3129 298.8736 -21.6270 7.2132 761037.4224 -5.5665 -5.6982 PRESSURE: 937200 -179.527 198.489 -173.255 198.49 110.81 -81.0199 -173.256 -81.0201 -203.327 GPRESSURE: 937200 -113.863 171.908 -213.796 233.835 157.96 -46.9536 -171.717 -91.0275 -230.166 PRESSAVG: 937200 18.345 13.5336 -30.807 13.5336 14.7717 -63.1091 -30.807 -63.1091 22.8794 GPRESSAVG: 937200 19.0203 14.6697 -28.7687 11.2473 14.3593 -62.9442 -32.6286 -60.5661 23.3444 TIMING: 937200 CPU: 2961.21, 0.00317396/step Wall: 2961.21, 0.00317396/step, 3.58199 hours remaining, 233.640625 MB of memory in use. ENERGY: 937200 3984.6172 20525.7162 14436.2807 246.5011 -203332.3151 2608.5706 0.0000 0.0000 51954.3202 -109576.3091 298.5822 -161530.6294 -109207.4581 298.7670 -90.6812 -62.0229 762972.7628 18.6654 18.9080 PRESSURE: 937400 -150.618 9.27946 155.695 9.27835 -99.265 -95.3861 155.695 -95.3849 -609.673 GPRESSURE: 937400 -105.713 -56.9637 157.268 -59.7363 -89.0911 -101.234 21.1932 -98.6012 -590.848 PRESSAVG: 937400 6.40018 78.0981 -0.473884 78.0981 3.06987 -25.6461 -0.473865 -25.6461 2.09448 GPRESSAVG: 937400 5.00704 75.0525 -0.909316 78.0145 3.37078 -27.8702 -2.40235 -24.9767 3.11273 TIMING: 937400 CPU: 2961.85, 0.00315523/step Wall: 2961.85, 0.00315523/step, 3.56068 hours remaining, 233.640625 MB of memory in use. ENERGY: 937400 4059.7158 20627.3144 14420.3742 256.8212 -203448.4350 2708.8417 0.0000 0.0000 51815.4556 -109559.9121 297.7841 -161375.3678 -109204.6984 298.6644 -286.5186 -261.8840 762654.0380 3.8548 3.8302 PRESSURE: 937600 242.594 97.02 176.987 97.0195 237.502 57.5486 176.987 57.5488 -65.7929 GPRESSURE: 937600 131.271 141.129 128.924 169.663 354.542 43.0857 137.067 -16.2913 18.566 PRESSAVG: 937600 53.8312 39.2676 0.96137 39.2676 -24.2792 -0.769211 0.961408 -0.769182 -6.74392 GPRESSAVG: 937600 53.5377 39.9317 1.38076 40.4633 -23.4821 0.0867636 2.66755 -1.55105 -7.47098 TIMING: 937600 CPU: 2962.48, 0.00315474/step Wall: 2962.48, 0.00315474/step, 3.55995 hours remaining, 233.640625 MB of memory in use. ENERGY: 937600 3988.0103 20581.4350 14472.4451 244.6547 -203825.1078 2756.6493 0.0000 0.0000 52176.7766 -109605.1369 299.8607 -161781.9135 -109245.0864 298.9697 138.1013 168.1262 758537.1762 7.6027 7.5282 PRESSURE: 937800 83.7059 112.154 208.287 112.154 159.713 165.697 208.287 165.698 272.805 GPRESSURE: 937800 167.926 33.7929 257.647 122.614 205.439 92.2735 77.4082 234.832 225.933 PRESSAVG: 937800 36.6296 3.2117 15.2402 3.21172 -12.1417 14.8526 15.2401 14.8526 19.582 GPRESSAVG: 937800 37.7936 3.22152 13.3436 2.73406 -13.0363 14.7449 16.3906 12.7885 19.4123 TIMING: 937800 CPU: 2963.11, 0.00314831/step Wall: 2963.11, 0.00314831/step, 3.55252 hours remaining, 233.640625 MB of memory in use. ENERGY: 937800 3962.0572 20393.6406 14517.2750 249.2298 -203540.0346 2723.7703 0.0000 0.0000 52021.6087 -109672.4530 298.9689 -161694.0617 -109305.0394 298.7883 172.0745 199.7659 761487.2185 14.6900 14.7232 PRESSURE: 938000 230.792 125.858 2.45181 125.858 -9.60433 96.11 2.45198 96.1115 -46.8028 GPRESSURE: 938000 326.151 61.9583 -22.5299 133.43 -7.35224 146.978 -32.7234 107.747 -51.8119 PRESSAVG: 938000 -22.1254 31.854 54.5678 31.854 18.6501 -26.5434 54.5678 -26.5435 -11.0691 GPRESSAVG: 938000 -21.247 32.0979 56.7382 30.6404 17.2436 -25.8222 52.3372 -25.4669 -10.2649 TIMING: 938000 CPU: 2963.73, 0.0031416/step Wall: 2963.73, 0.0031416/step, 3.54477 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: 938000 3951.3962 20513.3106 14513.8031 247.5520 -203445.7475 2882.7063 0.0000 0.0000 52119.0317 -109217.9475 299.5288 -161336.9792 -108853.7742 299.0158 58.1282 88.9957 763877.4732 -4.8481 -4.7561 PRESSURE: 938200 -139.247 14.1321 123.448 14.1324 44.2003 -89.3511 123.448 -89.3515 -435.312 GPRESSURE: 938200 -103.573 119.55 111.859 -55.7582 120.755 -91.6698 70.2763 -30.9927 -473.118 PRESSAVG: 938200 19.157 65.7836 13.2439 65.7836 -33.66 2.56385 13.2438 2.56387 -3.90069 GPRESSAVG: 938200 18.7555 65.8331 12.9441 66.08 -31.506 1.42332 12.35 2.87662 -5.33811 TIMING: 938200 CPU: 2964.36, 0.00314135/step Wall: 2964.36, 0.00314135/step, 3.54432 hours remaining, 233.640625 MB of memory in use. ENERGY: 938200 3958.9012 20378.3826 14505.2118 245.4047 -203053.1072 2361.4953 0.0000 0.0000 52216.4806 -109387.2311 300.0888 -161603.7117 -109016.9362 299.2975 -176.7863 -151.9786 763485.4340 -6.1346 -6.0295 PRESSURE: 938400 188.971 60.417 12.2306 60.4168 -146.436 153.95 12.2306 153.95 308.785 GPRESSURE: 938400 196.114 39.6305 -42.9753 23.2412 4.91846 169.681 -71.0329 42.4929 238.209 PRESSAVG: 938400 9.71656 16.0264 -20.8948 16.0264 27.7539 -18.2715 -20.8948 -18.2715 18.7337 GPRESSAVG: 938400 10.2903 15.8444 -22.4385 15.2391 27.4998 -17.7112 -20.4938 -18.763 19.21 TIMING: 938400 CPU: 2964.99, 0.00313145/step Wall: 2964.99, 0.00313145/step, 3.53297 hours remaining, 233.640625 MB of memory in use. ENERGY: 938400 4037.2196 20532.8116 14448.9350 243.3029 -202970.9544 2374.3672 0.0000 0.0000 51812.6655 -109521.6526 297.7681 -161334.3181 -109165.6746 298.5811 117.1069 146.4139 761994.3956 18.7347 19.0000 PRESSURE: 938600 -121.492 198.577 -3.9136 198.577 72.2813 -221.675 -3.91353 -221.675 -130.984 GPRESSURE: 938600 -66.3924 199.533 -103.372 189.086 51.539 -135.856 144.705 -194.353 -95.5678 PRESSAVG: 938600 -15.8697 25.3242 -3.27621 25.3242 24.123 7.66399 -3.27622 7.66397 -6.27267 GPRESSAVG: 938600 -14.8914 25.4127 -3.55969 26.5337 22.4208 8.37251 -1.18645 7.20682 -5.42637 TIMING: 938600 CPU: 2965.62, 0.00313916/step Wall: 2965.62, 0.00313916/step, 3.5415 hours remaining, 233.640625 MB of memory in use. ENERGY: 938600 3973.9376 20460.2645 14501.8256 245.4386 -203129.5338 2506.7236 0.0000 0.0000 52072.3189 -109369.0251 299.2603 -161441.3440 -108998.2196 298.5171 -60.0649 -36.8071 761751.7035 0.6602 0.7010 PRESSURE: 938800 160.227 -183.706 -30.5006 -183.706 -51.5181 -81.7187 -30.4994 -81.719 217.898 GPRESSURE: 938800 171.219 -186.598 -56.1901 -13.0639 29.9881 -38.6139 85.1402 -77.3206 221.965 PRESSAVG: 938800 28.0737 -16.2214 38.6592 -16.2214 -13.448 13.1573 38.6592 13.1573 12.0369 GPRESSAVG: 938800 26.7935 -16.022 39.6478 -17.0175 -12.4206 12.5742 41.9658 13.7904 12.4679 TIMING: 938800 CPU: 2966.25, 0.0031541/step Wall: 2966.25, 0.0031541/step, 3.55818 hours remaining, 233.640625 MB of memory in use. ENERGY: 938800 3900.1341 20623.6417 14455.0225 246.8777 -203041.6592 2472.4396 0.0000 0.0000 52002.1857 -109341.3579 298.8573 -161343.5435 -108974.5233 299.1866 108.8692 141.0571 761080.3726 8.8875 8.9469 PRESSURE: 939000 -78.1974 -169.159 100.618 -169.159 63.8199 -11.0039 100.619 -11.0037 39.8654 GPRESSURE: 939000 -126.918 -150.03 118.779 -211.177 199.218 18.8522 -10.7768 -253.48 37.7958 PRESSAVG: 939000 55.9641 -99.915 -10.7369 -99.915 16.4998 39.9582 -10.7369 39.9583 -6.37111 GPRESSAVG: 939000 56.4031 -98.1311 -10.3311 -99.2957 17.5592 40.3266 -15.9819 38.02 -7.92612 TIMING: 939000 CPU: 2966.88, 0.00314981/step Wall: 2966.88, 0.00314981/step, 3.55316 hours remaining, 233.640625 MB of memory in use. ENERGY: 939000 3969.0087 20558.2693 14454.3549 247.1440 -203420.4012 2691.1143 0.0000 0.0000 52066.2882 -109434.2216 299.2257 -161500.5098 -109077.7779 299.1985 8.4960 36.6985 759924.6130 22.0309 22.0120 PRESSURE: 939200 -307.433 -3.63293 56.5851 -3.63242 -246.32 57.3306 56.5841 57.3303 -218.607 GPRESSURE: 939200 -251.353 -86.5045 -37.3643 -6.87946 -243.551 82.053 143.146 128.861 -195.143 PRESSAVG: 939200 -19.3341 -46.62 14.3741 -46.6201 -5.89423 -53.3926 14.3741 -53.3927 -16.6779 GPRESSAVG: 939200 -20.1323 -48.2781 12.5904 -45.9263 -6.28552 -53.5894 17.17 -52.6442 -15.7969 TIMING: 939200 CPU: 2967.51, 0.00314338/step Wall: 2967.51, 0.00314338/step, 3.54574 hours remaining, 233.640625 MB of memory in use. ENERGY: 939200 3963.2281 20409.7252 14441.1895 262.3294 -202593.9001 2175.9364 0.0000 0.0000 51788.1923 -109553.2991 297.6275 -161341.4915 -109190.7232 298.6530 -257.4532 -230.0156 763625.1376 -13.9688 -14.0716 PRESSURE: 939400 -341.964 24.884 -104.603 24.8841 167.307 -406.992 -104.604 -406.992 -127.056 GPRESSURE: 939400 -346.591 -24.252 -116.846 -23.7021 201.951 -376.329 -154.726 -328.682 -80.7035 PRESSAVG: 939400 17.3091 1.55422 8.31235 1.55419 -33.504 -27.763 8.31235 -27.763 1.65262 GPRESSAVG: 939400 19.4851 1.30881 10.7622 1.0458 -33.6238 -27.2185 8.89976 -28.2528 0.309612 TIMING: 939400 CPU: 2968.14, 0.00315301/step Wall: 2968.14, 0.00315301/step, 3.55642 hours remaining, 233.640625 MB of memory in use. ENERGY: 939400 4015.7565 20554.9123 14453.9048 235.7264 -203220.1670 2632.9974 0.0000 0.0000 51911.1744 -109415.6953 298.3342 -161326.8696 -109053.5354 298.1967 -100.5712 -75.1142 762810.5347 -4.8474 -4.6097 PRESSURE: 939600 95.6676 -93.529 72.8712 -93.5287 -387.107 -41.3656 72.8706 -41.3659 281.916 GPRESSURE: 939600 114.78 -75.6947 -64.007 8.8767 -264.579 27.6533 25.5137 -45.7932 221.5 PRESSAVG: 939600 3.7159 55.0914 23.745 55.0914 30.5032 -3.5108 23.745 -3.51084 -1.8772 GPRESSAVG: 939600 2.37066 56.0288 22.6955 55.1831 30.2022 -4.35989 21.8057 -1.41994 -0.429454 TIMING: 939600 CPU: 2968.77, 0.00316029/step Wall: 2968.77, 0.00316029/step, 3.56445 hours remaining, 233.640625 MB of memory in use. ENERGY: 939600 4035.9513 20538.5612 14486.6628 243.3952 -203463.1116 2665.6602 0.0000 0.0000 51960.2088 -109532.6720 298.6160 -161492.8808 -109176.1319 298.7433 -3.1743 23.9001 760420.1632 10.7806 10.7145 PRESSURE: 939800 -433.607 -53.047 92.5239 -53.0472 -264.399 -106.112 92.524 -106.111 -290.06 GPRESSURE: 939800 -329.54 36.6158 233.43 -96.7833 -235.982 -79.7555 91.9415 -57.6007 -341.419 PRESSAVG: 939800 -2.69145 0.361316 6.51869 0.36131 2.04231 48.9088 6.51873 48.9088 16.0539 GPRESSAVG: 939800 -1.67589 -1.29621 5.26978 1.721 2.22819 49.4211 8.13229 45.4479 14.9262 TIMING: 939800 CPU: 2969.4, 0.00313565/step Wall: 2969.4, 0.00313565/step, 3.53649 hours remaining, 233.640625 MB of memory in use. ENERGY: 939800 4012.6215 20303.1373 14474.7852 232.9412 -202933.9682 2320.2260 0.0000 0.0000 52075.7412 -109514.5158 299.2800 -161590.2570 -109149.4251 298.6019 -329.3554 -302.3136 762035.2846 5.1349 5.1595 PRESSURE: 940000 -172.66 104.648 6.80105 104.649 -296.386 47.5096 6.80107 47.5084 35.9732 GPRESSURE: 940000 -38.2007 80.8963 -30.5358 159.418 -354.464 -3.77209 -10.2657 -1.49579 44.9093 PRESSAVG: 940000 -29.7443 -1.92641 65.2549 -1.92636 -10.9758 27.8318 65.2549 27.8317 -21.7264 GPRESSAVG: 940000 -29.8593 0.268564 67.0784 -2.08948 -11.8886 29.1089 63.7756 27.2118 -21.4148 TIMING: 940000 CPU: 2970.02, 0.00313955/step Wall: 2970.02, 0.00313955/step, 3.54072 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: 940000 4007.6409 20504.8750 14441.3953 238.1855 -203059.1359 2301.7243 0.0000 0.0000 51845.3238 -109719.9911 297.9558 -161565.3150 -109356.5360 298.3847 -144.3577 -115.9186 761353.3112 -20.8155 -21.0542 PRESSURE: 940200 137.863 64.157 -137.703 64.1565 13.8941 -185.419 -137.704 -185.418 399.026 GPRESSURE: 940200 258.073 -70.662 -104.622 121.933 67.9637 -149.275 -214.468 -58.227 318.296 PRESSAVG: 940200 -0.390081 -33.315 -25.9301 -33.315 -46.3356 -7.18016 -25.9301 -7.18013 0.157185 GPRESSAVG: 940200 -0.963086 -34.3848 -25.4383 -34.5661 -45.6857 -7.82387 -26.2167 -5.24099 -0.102963 TIMING: 940200 CPU: 2970.65, 0.00313675/step Wall: 2970.65, 0.00313675/step, 3.53738 hours remaining, 233.640625 MB of memory in use. ENERGY: 940200 3988.0735 20457.7662 14428.6089 253.5431 -203346.1165 2758.8686 0.0000 0.0000 51869.2621 -109589.9941 298.0934 -161459.2562 -109220.8594 298.9265 183.5941 214.7774 763148.7397 -15.5228 -15.5839 LDB: ============= START OF LOAD BALANCING ============== 2983.18 LDB: ============== END OF LOAD BALANCING =============== 2983.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2983.18 LDB: ============= START OF LOAD BALANCING ============== 2983.5 LDB: Largest compute 7058 load 0.034308 is 17.6% of average load 0.195367 LDB: Average compute 0.004362 is 2.2% of average load 0.195367 LDB: TIME 2983.5 LOAD: AVG 0.195367 MAX 0.221133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.926 MB LDB: TIME 2983.5 LOAD: AVG 0.195367 MAX 0.221133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: TIME 2983.5 LOAD: AVG 0.195367 MAX 0.213829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.926 MB LDB: ============== END OF LOAD BALANCING =============== 2983.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2983.51 PRESSURE: 940400 -50.1203 -77.0118 199.175 -77.012 -2.10387 -73.0492 199.176 -73.0499 16.7988 GPRESSURE: 940400 -7.16293 -75.5238 189.57 -141.044 7.97972 -144.092 125.448 -57.2047 56.571 PRESSAVG: 940400 65.3989 -12.6198 -15.3486 -12.6199 -32.3362 18.9531 -15.3487 18.9531 2.94035 GPRESSAVG: 940400 64.8996 -14.3382 -15.3861 -12.7571 -31.7025 19.8031 -14.3782 17.6776 3.53528 TIMING: 940400 CPU: 2971.29, 0.00321273/step Wall: 2971.29, 0.00321273/step, 3.62289 hours remaining, 232.156250 MB of memory in use. ENERGY: 940400 4084.7219 20503.3169 14444.9815 239.1923 -203383.0922 2586.5454 0.0000 0.0000 51911.2321 -109613.1021 298.3346 -161524.3341 -109252.0031 298.7783 -11.8085 19.1293 761115.7248 12.0010 12.2441 PRESSURE: 940600 -24.1119 93.806 -7.09419 93.8063 162.736 65.3882 -7.09426 65.3875 -193.711 GPRESSURE: 940600 -22.7642 21.3243 -4.31021 72.0482 172.85 97.0403 -10.1553 86.1322 -111.812 PRESSAVG: 940600 13.8943 1.73478 -11.4788 1.73483 -27.2568 -0.427674 -11.4788 -0.427764 -2.27396 GPRESSAVG: 940600 14.2168 2.71381 -11.4834 1.72694 -25.974 -2.14254 -12.9177 0.599295 -3.84425 TIMING: 940600 CPU: 2971.92, 0.00313787/step Wall: 2971.92, 0.00313787/step, 3.53829 hours remaining, 232.425781 MB of memory in use. ENERGY: 940600 3967.4632 20582.1188 14417.4547 245.0773 -203257.3938 2633.9645 0.0000 0.0000 51909.9928 -109501.3225 298.3274 -161411.3153 -109140.2189 299.0222 -18.3624 12.7580 761828.8386 -5.2122 -5.2005 PRESSURE: 940800 52.5043 62.3936 207.558 62.3936 -108.685 -91.4916 207.558 -91.4903 224.62 GPRESSURE: 940800 -4.4605 49.3602 207.478 -0.526119 -39.2287 -102.21 265.766 -140.472 297.363 PRESSAVG: 940800 18.7502 -12.788 4.57441 -12.788 -17.6657 34.4482 4.57439 34.4482 0.946231 GPRESSAVG: 940800 17.1973 -11.5125 3.00371 -14.4248 -17.5514 35.4249 5.40068 36.7224 1.69617 TIMING: 940800 CPU: 2972.55, 0.00316473/step Wall: 2972.55, 0.00316473/step, 3.56841 hours remaining, 232.359375 MB of memory in use. ENERGY: 940800 3976.6031 20654.3132 14445.3893 258.7614 -203593.0469 2817.6155 0.0000 0.0000 52106.4169 -109333.9475 299.4563 -161440.3644 -108966.0202 299.2572 56.1465 84.5580 760649.7174 0.6769 0.4474 PRESSURE: 941000 275.339 -37.3885 106.064 -37.388 234.7 -41.6262 106.063 -41.6265 -194.645 GPRESSURE: 941000 347.581 -29.0147 77.2891 15.9443 164.042 -59.6663 28.6669 -45.382 -110.923 PRESSAVG: 941000 45.0835 28.7609 -30.6385 28.7608 -99.6052 24.142 -30.6386 24.142 -7.08261 GPRESSAVG: 941000 46.0748 27.713 -30.5901 28.9518 -100.977 23.4294 -32.4712 22.7884 -6.25957 TIMING: 941000 CPU: 2973.18, 0.00314865/step Wall: 2973.18, 0.00314865/step, 3.5501 hours remaining, 232.359375 MB of memory in use. ENERGY: 941000 3981.0407 20706.8438 14455.1322 230.7914 -202965.4315 2521.9003 0.0000 0.0000 51984.1048 -109085.6183 298.7534 -161069.7231 -108726.2075 299.9531 105.1316 133.5664 762057.8268 -20.5348 -20.3872 PRESSURE: 941200 218.972 50.6162 -180.269 50.6165 -32.2313 44.4303 -180.27 44.4312 -225.657 GPRESSURE: 941200 252.803 116.901 -211.803 -118.871 105.475 31.0833 -266.604 90.9936 -321.312 PRESSAVG: 941200 -13.1668 2.92227 -1.19599 2.92228 4.42162 -48.696 -1.19604 -48.696 -20.1356 GPRESSAVG: 941200 -11.287 4.33352 0.38546 3.12128 4.00333 -48.291 -2.30898 -47.4541 -21.7119 TIMING: 941200 CPU: 2973.81, 0.00312892/step Wall: 2973.81, 0.00312892/step, 3.52769 hours remaining, 232.359375 MB of memory in use. ENERGY: 941200 4027.4840 20450.4915 14454.0537 254.3459 -203485.0400 2789.4248 0.0000 0.0000 52204.1845 -109305.0557 300.0182 -161509.2402 -108940.5723 300.1233 -12.9722 12.3221 761146.4663 -9.6269 -9.6652 PRESSURE: 941400 -107.301 -71.8725 -342.856 -71.8727 -15.1772 185.104 -342.856 185.102 37.3171 GPRESSURE: 941400 -19.5458 -111.1 -338.83 -67.0148 -54.0053 210.108 -240.492 184.533 52.2842 PRESSAVG: 941400 7.1513 -2.51668 22.3653 -2.51662 -14.2712 67.9058 22.3653 67.9058 10.6778 GPRESSAVG: 941400 5.70473 -1.83545 22.0125 -3.2036 -14.2452 68.2412 22.5837 65.4777 11.6319 TIMING: 941400 CPU: 2974.44, 0.00315056/step Wall: 2974.44, 0.00315056/step, 3.5519 hours remaining, 232.359375 MB of memory in use. ENERGY: 941400 4024.2445 20597.2428 14505.8018 248.7711 -203610.0898 2832.5316 0.0000 0.0000 52175.2005 -109226.2974 299.8516 -161401.4980 -108852.9027 299.6855 -28.3872 -7.0890 761716.6505 1.1860 1.0305 PRESSURE: 941600 393.687 -228.658 248.205 -228.658 -169.757 -46.1897 248.206 -46.1893 -117.263 GPRESSURE: 941600 451.236 -325.409 335.227 -152.707 -208.941 -136.385 210.692 57.6497 -41.5741 PRESSAVG: 941600 48.117 12.8832 32.0935 12.8832 -101.576 60.134 32.0935 60.1339 -0.94376 GPRESSAVG: 941600 47.7773 9.39331 32.5539 13.3591 -100.745 59.8175 32.9835 59.1502 -0.858753 TIMING: 941600 CPU: 2975.07, 0.00315642/step Wall: 2975.07, 0.00315642/step, 3.55834 hours remaining, 232.359375 MB of memory in use. ENERGY: 941600 3922.1706 20844.1347 14386.7867 253.9356 -203541.2151 2700.0674 0.0000 0.0000 52127.8100 -109306.3099 299.5792 -161434.1200 -108955.0952 299.6309 35.5557 66.9071 762065.6818 -18.1342 -17.9421 PRESSURE: 941800 25.3924 -9.32363 17.9818 -9.32371 -179.595 -43.4022 17.9811 -43.4026 153.1 GPRESSURE: 941800 110.507 -39.2558 25.6312 -82.1197 -209.837 -159.089 74.5222 114.265 185.475 PRESSAVG: 941800 107.539 -65.6306 -11.5199 -65.6307 -70.906 42.2421 -11.5198 42.2422 35.2784 GPRESSAVG: 941800 108.754 -65.1982 -12.4001 -64.3336 -71.2423 40.1273 -9.23494 44.288 34.9469 TIMING: 941800 CPU: 2975.7, 0.00313864/step Wall: 2975.7, 0.00313864/step, 3.53812 hours remaining, 232.359375 MB of memory in use. ENERGY: 941800 4028.3722 20525.7212 14486.3754 247.8176 -203652.3567 2991.9573 0.0000 0.0000 52290.9960 -109081.1171 300.5171 -161372.1131 -108721.5962 299.8728 -0.3675 28.7149 761475.2770 23.9704 24.1530 PRESSURE: 942000 -5.28371 107.734 -248.664 107.733 -77.8521 -196.701 -248.663 -196.701 -47.1128 GPRESSURE: 942000 -56.4261 18.9679 -239.344 113.911 30.3764 -187.181 -316.13 -90.2468 -33.4059 PRESSAVG: 942000 95.6986 -15.1063 -19.8592 -15.1063 -117.231 -1.52486 -19.8592 -1.52496 15.7909 GPRESSAVG: 942000 95.5753 -14.2251 -18.2637 -14.5851 -116.756 -0.742174 -23.9316 -2.69589 15.6498 TIMING: 942000 CPU: 2976.33, 0.00315796/step Wall: 2976.33, 0.00315796/step, 3.55972 hours remaining, 232.359375 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: 942000 4039.6105 20633.5696 14572.9595 276.4189 -202980.3888 2318.3522 0.0000 0.0000 51973.1446 -109166.3336 298.6904 -161139.4782 -108798.0491 299.7109 -43.4162 -19.8186 761124.5072 -1.9139 -1.8437 PRESSURE: 942200 -91.5454 177.44 -47.8062 177.44 -473.408 360.72 -47.8078 360.719 104.947 GPRESSURE: 942200 -85.8605 26.5936 53.6563 217.519 -434.111 401.86 -87.5685 312.892 140.585 PRESSAVG: 942200 53.7347 -44.0519 10.0006 -44.0518 -20.4478 -13.1417 10.0006 -13.1417 24.1703 GPRESSAVG: 942200 54.2666 -44.0657 9.08444 -42.3112 -19.8989 -11.9 13.2329 -12.1497 23.1672 TIMING: 942200 CPU: 2976.96, 0.00313922/step Wall: 2976.96, 0.00313922/step, 3.53842 hours remaining, 232.359375 MB of memory in use. ENERGY: 942200 3989.6903 20592.3393 14420.3058 252.1172 -203154.7261 2455.3651 0.0000 0.0000 51955.2052 -109489.7031 298.5873 -161444.9083 -109124.0209 299.6787 -153.3356 -126.4620 761760.9785 19.1524 19.1783 PRESSURE: 942400 -386.803 -89.2778 29.6242 -89.278 -321.03 13.1824 29.6251 13.182 -71.6757 GPRESSURE: 942400 -361.116 -102.32 58.6407 18.2228 -221.984 3.87067 -94.4886 -77.243 -116.099 PRESSAVG: 942400 56.2895 -4.1784 -13.2709 -4.17841 -42.8332 48.286 -13.271 48.286 7.9108 GPRESSAVG: 942400 55.5371 -3.97528 -12.6676 -5.36183 -41.8846 48.176 -15.8029 47.3576 7.57506 TIMING: 942400 CPU: 2977.59, 0.00315702/step Wall: 2977.59, 0.00315702/step, 3.55831 hours remaining, 232.359375 MB of memory in use. ENERGY: 942400 4009.0208 20512.1331 14483.7602 241.8577 -203286.3352 2437.1681 0.0000 0.0000 51974.1243 -109628.2710 298.6960 -161602.3953 -109274.2518 298.9683 -259.8365 -233.0666 761769.5866 7.1224 7.0759 PRESSURE: 942600 -65.8747 -53.5824 104.15 -53.583 72.9812 -235.016 104.15 -235.017 -89.6438 GPRESSURE: 942600 17.0587 -11.3143 73.5038 -48.6972 -13.2149 -179.429 77.2523 -123.133 2.50231 PRESSAVG: 942600 -25.4696 -51.6325 16.1232 -51.6325 32.322 -18.1618 16.1232 -18.1618 -31.4364 GPRESSAVG: 942600 -24.8522 -52.6662 13.5211 -52.6175 32.0214 -19.0828 19.0585 -17.01 -32.0725 TIMING: 942600 CPU: 2978.22, 0.00314608/step Wall: 2978.22, 0.00314608/step, 3.54581 hours remaining, 232.359375 MB of memory in use. ENERGY: 942600 3998.9534 20456.9610 14491.5844 242.4997 -203255.2001 2522.3682 0.0000 0.0000 51942.4306 -109600.4028 298.5139 -161542.8334 -109230.3122 298.3584 -27.5124 2.1154 761093.2328 -8.1946 -8.3011 PRESSURE: 942800 39.5565 166.664 -4.44299 166.664 397.82 -125.047 -4.44279 -125.046 -18.9413 GPRESSURE: 942800 153.822 39.2383 44.7274 151.49 376.582 -153.481 -0.528434 -119.782 -31.4308 PRESSAVG: 942800 -38.9828 -21.5581 6.09357 -21.5581 37.4007 -15.217 6.09352 -15.217 19.2733 GPRESSAVG: 942800 -38.6498 -20.5074 7.0754 -19.8566 36.5118 -13.3043 4.75422 -15.8957 20.3272 TIMING: 942800 CPU: 2978.85, 0.00315605/step Wall: 2978.85, 0.00315605/step, 3.55687 hours remaining, 232.359375 MB of memory in use. ENERGY: 942800 4015.7351 20542.9828 14465.4801 248.5332 -203312.6058 2542.4295 0.0000 0.0000 52047.8125 -109449.6326 299.1195 -161497.4451 -109084.7434 298.9462 139.4783 166.3244 761105.6477 5.8971 6.0631 PRESSURE: 943000 187.963 242.35 229.438 242.349 -98.6701 49.512 229.437 49.5122 246.253 GPRESSURE: 943000 209.998 147.018 191.627 101.403 58.974 62.0397 216.743 100.322 145.074 PRESSAVG: 943000 58.0261 49.3399 44.3847 49.3398 -59.9668 4.74529 44.3847 4.74536 4.70241 GPRESSAVG: 943000 57.2287 48.3297 46.1213 47.9488 -59.2135 5.08671 43.988 4.4531 3.96018 TIMING: 943000 CPU: 2979.48, 0.00315213/step Wall: 2979.48, 0.00315213/step, 3.55228 hours remaining, 232.359375 MB of memory in use. ENERGY: 943000 3957.5894 20507.7496 14464.4383 239.5991 -203506.5668 2570.3383 0.0000 0.0000 52084.4029 -109682.4492 299.3298 -161766.8522 -109325.3726 298.8993 111.8487 138.0152 762001.5682 0.9205 0.6585 PRESSURE: 943200 -5.5343 3.59929 22.3516 3.59901 -209.077 87.5724 22.3516 87.5726 242.387 GPRESSURE: 943200 65.7507 13.8265 56.1179 64.0997 -219.522 124.487 -75.0982 85.5904 243.221 PRESSAVG: 943200 5.7723 55.9096 41.1295 55.9096 0.465905 -0.549984 41.1295 -0.55005 7.19861 GPRESSAVG: 943200 5.01014 55.1895 40.2257 56.8171 0.608219 -2.24298 42.3573 0.310978 7.98385 TIMING: 943200 CPU: 2980.11, 0.00316825/step Wall: 2980.11, 0.00316825/step, 3.57027 hours remaining, 232.359375 MB of memory in use. ENERGY: 943200 3962.1301 20546.4908 14478.0960 243.8630 -203660.5465 2882.8552 0.0000 0.0000 51986.3088 -109560.8025 298.7660 -161547.1113 -109199.9381 298.6974 9.2586 29.8164 760493.2949 4.4789 4.5341 PRESSURE: 943400 -111.037 -157.078 -46.313 -157.078 -11.8848 294.124 -46.3134 294.123 299.206 GPRESSURE: 943400 -115.049 -97.146 -97.5992 -127.454 62.8046 262.728 48.8807 276.616 322.567 PRESSAVG: 943400 -14.8328 0.107189 36.2358 0.107132 33.9404 35.5258 36.2358 35.5258 18.4997 GPRESSAVG: 943400 -15.1593 2.92582 34.1241 -0.659738 33.4892 37.0978 36.5267 34.318 19.34 TIMING: 943400 CPU: 2980.74, 0.00314489/step Wall: 2980.74, 0.00314489/step, 3.54377 hours remaining, 232.359375 MB of memory in use. ENERGY: 943400 3948.7232 20457.5527 14442.0787 241.2210 -203938.6783 2971.7595 0.0000 0.0000 52183.5087 -109693.8345 299.8993 -161877.3432 -109328.0177 299.2381 58.7615 90.1075 759691.8923 12.5358 12.5566 PRESSURE: 943600 169.057 -266.335 1.02541 -266.336 107.338 -363.293 1.02613 -363.294 -343.235 GPRESSURE: 943600 146.618 -194.082 78.1767 -159.89 187.609 -262.268 -59.4752 -225.208 -344.192 PRESSAVG: 943600 -13.532 -43.4689 17.4587 -43.469 49.844 27.9222 17.4587 27.9222 16.3891 GPRESSAVG: 943600 -12.1485 -45.7383 20.3977 -42.2459 49.8711 27.5502 14.9633 28.0869 15.3422 TIMING: 943600 CPU: 2981.38, 0.00317927/step Wall: 2981.38, 0.00317927/step, 3.58233 hours remaining, 232.347656 MB of memory in use. ENERGY: 943600 3961.7591 20544.5215 14493.7413 248.6503 -203660.0284 2788.5357 0.0000 0.0000 51919.8966 -109702.9237 298.3844 -161622.8204 -109323.2347 298.9467 -22.2801 -3.3219 761114.1120 17.5671 17.6883 PRESSURE: 943800 -358.2 44.3305 -319.016 44.3308 -104.106 -146.794 -319.016 -146.793 -19.1431 GPRESSURE: 943800 -308.487 59.8441 -289.351 -16.5591 -97.708 -144.742 -322.701 -191.673 -5.50409 PRESSAVG: 943800 34.0317 -10.1447 8.81777 -10.1446 -21.0882 -5.89586 8.8178 -5.89583 -4.23427 GPRESSAVG: 943800 33.7044 -9.82565 7.49671 -14.3786 -21.7728 -6.31553 9.11593 -6.962 -3.18159 TIMING: 943800 CPU: 2982.01, 0.00315041/step Wall: 2982.01, 0.00315041/step, 3.54964 hours remaining, 232.347656 MB of memory in use. ENERGY: 943800 4063.2192 20631.2695 14535.1822 247.7702 -203789.0666 2701.1405 0.0000 0.0000 51957.7952 -109652.6899 298.6022 -161610.4851 -109294.3725 298.5297 -160.4831 -137.2332 762897.5260 2.9031 2.9167 PRESSURE: 944000 24.2374 -64.6498 24.8777 -64.6482 -223.868 -1.1624 24.8783 -1.16326 153.534 GPRESSURE: 944000 53.171 -157.26 13.5703 -46.2776 -217.394 22.5512 -0.0801928 107.891 200.412 PRESSAVG: 944000 37.5071 -56.3164 19.2932 -56.3164 -17.8405 -22.9498 19.2931 -22.9498 6.30278 GPRESSAVG: 944000 36.6259 -55.5069 18.7978 -55.4688 -16.9498 -23.5631 21.0628 -21.4725 6.50355 TIMING: 944000 CPU: 2982.64, 0.00315862/step Wall: 2982.64, 0.00315862/step, 3.55871 hours remaining, 232.347656 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: 944000 4043.8955 20541.4686 14489.2747 231.0716 -203485.7866 2633.6224 0.0000 0.0000 52064.0715 -109482.3823 299.2129 -161546.4537 -109130.8326 298.8718 -15.3656 12.0629 761308.8849 8.6565 8.7266 PRESSURE: 944200 -141.865 80.9323 -28.0841 80.9319 -305.278 -391.171 -28.0832 -391.171 -35.7521 GPRESSURE: 944200 -148.947 115.253 -69.3562 -1.39026 -212.272 -350.025 54.876 -264.374 -31.1295 PRESSAVG: 944200 24.6085 -31.8038 -2.4764 -31.8038 -2.86917 -10.5705 -2.47645 -10.5705 -10.7028 GPRESSAVG: 944200 25.2099 -31.5373 -1.60027 -29.308 -3.10862 -10.2726 -4.6668 -9.78662 -11.2127 TIMING: 944200 CPU: 2983.28, 0.00317257/step Wall: 2983.28, 0.00317257/step, 3.57426 hours remaining, 232.359375 MB of memory in use. ENERGY: 944200 4007.3569 20418.8098 14449.7644 239.7047 -203333.3389 2556.2683 0.0000 0.0000 52307.4724 -109353.9624 300.6118 -161661.4348 -108990.3555 299.6676 -160.9651 -130.7828 763191.4801 3.6789 3.6295 LDB: ============= START OF LOAD BALANCING ============== 2995.81 LDB: ============== END OF LOAD BALANCING =============== 2995.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2995.81 LDB: ============= START OF LOAD BALANCING ============== 2996.13 LDB: Largest compute 7058 load 0.031443 is 16.1% of average load 0.195434 LDB: Average compute 0.004365 is 2.2% of average load 0.195434 LDB: TIME 2996.14 LOAD: AVG 0.195434 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.668 MB LDB: TIME 2996.14 LOAD: AVG 0.195434 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: TIME 2996.14 LOAD: AVG 0.195434 MAX 0.212728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.871 MB LDB: ============== END OF LOAD BALANCING =============== 2996.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2996.14 PRESSURE: 944400 44.9065 -25.3741 -65.3379 -25.3738 262.478 69.5159 -65.3382 69.5153 -73.7729 GPRESSURE: 944400 72.7186 -42.7952 -89.3925 -70.2675 252.932 136.766 14.2663 -80.0244 -22.7655 PRESSAVG: 944400 -32.2369 9.06865 -17.3909 9.0686 29.7499 -19.8232 -17.3908 -19.8231 -9.15232 GPRESSAVG: 944400 -32.2859 7.48323 -18.802 8.97811 29.5556 -20.2649 -12.3394 -20.4561 -8.6741 TIMING: 944400 CPU: 2983.93, 0.00325083/step Wall: 2983.93, 0.00325083/step, 3.66224 hours remaining, 232.667969 MB of memory in use. ENERGY: 944400 4021.7687 20590.2853 14567.0738 244.1607 -204195.8901 3167.8476 0.0000 0.0000 52173.8676 -109430.8864 299.8439 -161604.7540 -109069.0227 299.4386 77.8705 100.9618 762014.7370 -3.8798 -3.8015 PRESSURE: 944600 51.4182 161.683 77.826 161.682 257.345 -8.51998 77.8249 -8.51988 -49.4867 GPRESSURE: 944600 103.474 101.923 124.547 194.897 247.13 -4.43946 64.2554 -21.3474 -2.18761 PRESSAVG: 944600 44.0756 6.91273 11.1551 6.91268 10.2485 -74.5011 11.155 -74.5011 -6.2121 GPRESSAVG: 944600 43.8413 7.78189 10.8679 6.64585 11.015 -75.0577 7.70978 -76.3115 -7.08393 TIMING: 944600 CPU: 2984.56, 0.00317906/step Wall: 2984.56, 0.00317906/step, 3.58121 hours remaining, 232.667969 MB of memory in use. ENERGY: 944600 4012.2385 20626.2409 14514.7387 248.8446 -203776.1643 2961.6968 0.0000 0.0000 51832.6842 -109579.7205 297.8831 -161412.4047 -109204.0205 299.2851 86.4257 116.1388 763160.2964 16.0373 15.9241 PRESSURE: 944800 -287.819 -9.26373 -103.299 -9.26309 -66.4659 -17.9643 -103.297 -17.9646 -51.4867 GPRESSURE: 944800 -247.472 -7.89424 6.87597 -17.6861 -58.2076 -24.9824 -167.635 -10.69 -16.8303 PRESSAVG: 944800 -12.654 -9.44543 3.75362 -9.44538 -15.3309 21.6962 3.75351 21.6962 -18.3443 GPRESSAVG: 944800 -11.8523 -8.0917 5.28127 -10.9211 -16.318 20.1127 3.23291 22.5187 -18.9674 TIMING: 944800 CPU: 2985.19, 0.00315092/step Wall: 2985.19, 0.00315092/step, 3.54934 hours remaining, 232.667969 MB of memory in use. ENERGY: 944800 4002.7049 20566.9507 14462.2604 245.2173 -203694.2373 2778.1559 0.0000 0.0000 52207.6366 -109431.3115 300.0380 -161638.9481 -109059.5600 299.1261 -135.2571 -107.5033 763480.9535 -15.4431 -15.7126 PRESSURE: 945000 137.055 -71.5279 -202.384 -71.5279 -264.988 -243.5 -202.386 -243.5 -258.026 GPRESSURE: 945000 114.429 -146.435 -221.54 -55.448 -230.79 -157.961 -176.673 -168.175 -172.387 PRESSAVG: 945000 19.8661 -18.1808 -34.8971 -18.1809 28.9776 -34.3199 -34.8971 -34.3199 8.60443 GPRESSAVG: 945000 19.4847 -18.5916 -33.9202 -16.7631 28.8208 -33.0942 -36.3778 -33.307 9.02852 TIMING: 945000 CPU: 2985.83, 0.00316943/step Wall: 2985.83, 0.00316943/step, 3.57002 hours remaining, 232.667969 MB of memory in use. ENERGY: 945000 4009.6785 20645.1545 14482.0814 259.2952 -203454.8283 2678.3579 0.0000 0.0000 52096.4876 -109283.7732 299.3992 -161380.2607 -108920.9524 299.9774 -128.6529 -96.2494 762680.4141 19.1494 19.1113 PRESSURE: 945200 125.649 -102.697 -91.6618 -102.697 277.576 -198.497 -91.6607 -198.496 -58.6093 GPRESSURE: 945200 176.887 -78.8153 -41.7951 -43.291 275.676 -183.955 -261.16 -161.528 -34.4893 PRESSAVG: 945200 -11.825 -36.9245 -39.9946 -36.9245 -7.14489 4.21583 -39.9946 4.2158 -13.9984 GPRESSAVG: 945200 -11.4444 -37.0366 -41.3248 -36.7753 -6.95439 4.35809 -39.0593 3.20167 -15.0919 TIMING: 945200 CPU: 2986.46, 0.00316389/step Wall: 2986.46, 0.00316389/step, 3.56359 hours remaining, 232.667969 MB of memory in use. ENERGY: 945200 4024.8144 20636.3357 14465.5746 244.1890 -203653.4195 3021.8449 0.0000 0.0000 52100.8926 -109159.7683 299.4245 -161260.6609 -108806.4697 299.4443 114.8719 139.3581 763817.2819 -10.9894 -11.1636 PRESSURE: 945400 0.831285 -100.244 220.823 -100.245 -122.72 95.572 220.822 95.5724 36.4761 GPRESSURE: 945400 88.8741 -64.109 229.778 -98.5123 -178.235 159.246 276.212 -44.2249 105.834 PRESSAVG: 945400 33.7308 -44.5806 3.06254 -44.5806 4.19181 -47.1771 3.06249 -47.1771 -11.4467 GPRESSAVG: 945400 32.5064 -43.2641 3.11384 -46.0327 4.19201 -45.6409 3.80169 -46.9612 -10.6892 TIMING: 945400 CPU: 2987.09, 0.00314696/step Wall: 2987.09, 0.00314696/step, 3.54435 hours remaining, 232.667969 MB of memory in use. ENERGY: 945400 3949.3622 20597.8343 14497.5596 258.1794 -203455.2918 2856.9051 0.0000 0.0000 51926.0330 -109369.4181 298.4196 -161295.4512 -109002.0259 299.7516 -28.4710 5.4910 762678.4390 8.8253 8.6697 PRESSURE: 945600 -213.996 -156.86 -265.971 -156.86 -3.03328 177.445 -265.97 177.445 -82.9071 GPRESSURE: 945600 -138.185 -47.5868 -276.332 -86.69 -78.0774 127.253 -224.473 90.6405 -3.63803 PRESSAVG: 945600 21.3685 -4.36015 -22.7242 -4.36017 4.52473 -50.2394 -22.7243 -50.2395 6.57868 GPRESSAVG: 945600 22.107 -6.3045 -21.6483 -2.58166 3.72621 -51.7072 -23.98 -51.6381 7.34982 TIMING: 945600 CPU: 2987.72, 0.00314776/step Wall: 2987.72, 0.00314776/step, 3.54507 hours remaining, 232.667969 MB of memory in use. ENERGY: 945600 4053.0453 20630.2125 14488.7042 258.0234 -203470.8433 2612.5966 0.0000 0.0000 52168.3993 -109259.8620 299.8125 -161428.2613 -108913.9783 299.5884 -99.9788 -73.3002 762965.8849 10.8240 11.0610 PRESSURE: 945800 283.789 164.821 -185.68 164.822 186.593 -22.3708 -185.679 -22.3725 -33.9641 GPRESSURE: 945800 307.894 23.7687 -93.4173 109.766 277.209 13.1616 -86.4851 -44.0993 -67.7471 PRESSAVG: 945800 -7.38811 10.4798 30.2211 10.4798 9.74981 5.9517 30.2211 5.95178 -3.63804 GPRESSAVG: 945800 -8.37352 12.4486 30.215 8.68506 9.9157 5.09832 32.0536 8.54455 -3.74069 TIMING: 945800 CPU: 2988.35, 0.00314205/step Wall: 2988.35, 0.00314205/step, 3.53848 hours remaining, 232.667969 MB of memory in use. ENERGY: 945800 3972.9720 20579.0269 14456.1219 243.2669 -203570.9996 3006.8278 0.0000 0.0000 52037.1400 -109275.6442 299.0582 -161312.7841 -108915.0274 299.5816 145.4726 172.4518 762798.1234 -0.4254 -0.7328 PRESSURE: 946000 9.69546 -38.3624 -147.297 -38.3633 260.54 -12.994 -147.297 -12.9936 -230.417 GPRESSURE: 946000 45.1036 -47.3271 -85.9363 43.6089 226.066 -26.2077 -42.8315 -25.2253 -146.059 PRESSAVG: 946000 30.396 -8.46918 14.4885 -8.46913 -58.9057 10.1652 14.4885 10.1651 20.1613 GPRESSAVG: 946000 29.8987 -12.9921 13.104 -6.8617 -58.143 11.461 12.5739 8.34475 19.7649 TIMING: 946000 CPU: 2988.98, 0.00315382/step Wall: 2988.98, 0.00315382/step, 3.55155 hours remaining, 232.667969 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: 946000 3971.8181 20571.0202 14411.2097 262.2689 -203138.7226 2445.6938 0.0000 0.0000 52074.2025 -109402.5094 299.2712 -161476.7119 -109030.4180 299.3966 13.2727 41.7035 762937.3792 -2.7828 -2.8265 PRESSURE: 946200 20.6419 121.451 -207.644 121.45 -89.7632 71.1271 -207.643 71.1263 322.555 GPRESSURE: 946200 44.6283 83.053 -194.587 184.236 8.13361 -12.2055 -200.996 78.9583 283.116 PRESSAVG: 946200 -3.35992 48.1133 22.7709 48.1134 12.9613 18.5103 22.7709 18.5104 8.36181 GPRESSAVG: 946200 -1.19535 52.9337 21.5672 46.0205 11.7458 19.1584 23.7697 17.3665 7.58738 TIMING: 946200 CPU: 2989.6, 0.00313529/step Wall: 2989.6, 0.00313529/step, 3.53051 hours remaining, 232.667969 MB of memory in use. ENERGY: 946200 3987.7953 20436.7989 14442.0564 234.0173 -203924.1681 3084.5087 0.0000 0.0000 52132.9758 -109606.0157 299.6089 -161738.9915 -109236.3582 299.5508 84.4778 111.9593 762059.8298 5.9877 6.0460 PRESSURE: 946400 -144.206 9.60384 26.5415 9.6034 -93.158 192.194 26.541 192.195 -87.9305 GPRESSURE: 946400 -150.402 54.4423 31.8313 12.8027 -56.7533 154.157 32.7654 171.953 -24.6828 PRESSAVG: 946400 44.4916 19.323 -13.9844 19.323 -39.1338 23.7556 -13.9845 23.7557 0.311279 GPRESSAVG: 946400 43.0962 16.7339 -12.0682 20.6183 -38.2459 23.294 -12.3593 23.5157 1.00292 TIMING: 946400 CPU: 2990.24, 0.00315837/step Wall: 2990.24, 0.00315837/step, 3.55633 hours remaining, 232.667969 MB of memory in use. ENERGY: 946400 3950.9553 20716.9058 14421.4053 259.7315 -203603.6467 2656.4904 0.0000 0.0000 52012.4593 -109585.6991 298.9163 -161598.1584 -109220.6821 298.3995 -108.4316 -77.2794 763065.1798 1.8897 1.9511 PRESSURE: 946600 313.661 130.296 285.122 130.296 233.254 -117.595 285.122 -117.596 173.996 GPRESSURE: 946600 354.744 152.963 256.454 227.328 255.286 -101.14 288.833 -106.406 211.176 PRESSAVG: 946600 11.2784 -6.65894 43.5652 -6.65899 17.3228 28.1354 43.5652 28.1354 -1.07403 GPRESSAVG: 946600 11.5841 -4.83614 44.124 -7.81868 17.3862 29.4547 42.1823 28.2546 -1.39854 TIMING: 946600 CPU: 2990.87, 0.00315208/step Wall: 2990.87, 0.00315208/step, 3.54907 hours remaining, 232.667969 MB of memory in use. ENERGY: 946600 3972.1316 20485.0140 14465.5260 253.7825 -204082.8732 3112.6072 0.0000 0.0000 52108.7478 -109685.0641 299.4697 -161793.8119 -109325.7202 298.5624 240.3038 273.7353 760354.4267 9.1757 9.1906 PRESSURE: 946800 -17.4438 -126.553 44.6906 -126.553 184.138 192.76 44.6898 192.759 -6.2557 GPRESSURE: 946800 36.1628 -195.86 27.8919 -1.52007 178.232 168.397 11.9445 161.285 40.3481 PRESSAVG: 946800 8.06957 -16.7364 48.449 -16.7364 -6.89453 -5.73817 48.4489 -5.73819 -10.3405 GPRESSAVG: 946800 7.08464 -18.1591 49.1759 -14.6912 -7.82505 -7.85075 48.2914 -5.45529 -8.33541 TIMING: 946800 CPU: 2991.5, 0.00314867/step Wall: 2991.5, 0.00314867/step, 3.54505 hours remaining, 232.667969 MB of memory in use. ENERGY: 946800 4020.8188 20571.5205 14430.1889 260.9204 -203498.3512 2598.4721 0.0000 0.0000 51994.1691 -109622.2613 298.8112 -161616.4304 -109253.6155 298.8546 53.4796 84.9141 762435.0489 -3.0551 -3.0253 PRESSURE: 947000 -319.486 47.3348 -8.53661 47.3352 -308.484 -34.5366 -8.53718 -34.5366 -157.181 GPRESSURE: 947000 -345.894 -137.854 -33.3521 92.5697 -238.331 -209.829 8.93374 60.8655 -126.73 PRESSAVG: 947000 -32.5146 -0.941314 30.8509 -0.941288 15.3501 32.6874 30.8509 32.6874 8.3395 GPRESSAVG: 947000 -31.3769 -0.755908 28.3185 -1.11084 15.6854 33.2223 31.3732 33.0943 6.55671 TIMING: 947000 CPU: 2992.13, 0.00316116/step Wall: 2992.13, 0.00316116/step, 3.55894 hours remaining, 232.667969 MB of memory in use. ENERGY: 947000 3956.5933 20550.8081 14450.1983 241.9226 -203581.0735 2876.5551 0.0000 0.0000 52154.7360 -109350.2601 299.7340 -161504.9961 -108986.6712 299.0217 -261.7169 -236.9852 763278.0948 -2.9417 -3.0449 PRESSURE: 947200 -160.517 206.523 98.4572 206.523 386.4 -174.926 98.4571 -174.926 146.886 GPRESSURE: 947200 -56.4916 180.01 116.705 149.787 422.051 -140.045 154.382 -116.97 103.477 PRESSAVG: 947200 -1.87104 7.58769 64.2858 7.58767 21.3817 69.7533 64.2858 69.7532 -23.6553 GPRESSAVG: 947200 -2.15067 9.48863 66.3132 5.61643 21.8224 70.1271 65.3423 70.1681 -23.6859 TIMING: 947200 CPU: 2992.76, 0.00317573/step Wall: 2992.76, 0.00317573/step, 3.57516 hours remaining, 232.667969 MB of memory in use. ENERGY: 947200 3973.0183 20483.7406 14458.2192 252.1899 -203348.1971 2744.6164 0.0000 0.0000 52181.0582 -109255.3545 299.8853 -161436.4128 -108890.7656 299.8413 124.2564 156.3456 761566.0739 -1.3816 -1.3381 PRESSURE: 947400 356.38 -53.0799 -56.6835 -53.0794 298.929 154.297 -56.6837 154.298 426.945 GPRESSURE: 947400 461.48 -13.2641 -122.925 -70.1767 358.281 79.9405 57.8 99.8709 350.275 PRESSAVG: 947400 -17.3938 9.97273 53.143 9.97273 83.05 66.9785 53.143 66.9785 13.6953 GPRESSAVG: 947400 -16.7941 10.0907 52.3414 11.0456 82.7937 66.4635 52.4027 67.3818 13.2166 TIMING: 947400 CPU: 2993.39, 0.00314287/step Wall: 2993.39, 0.00314287/step, 3.538 hours remaining, 232.667969 MB of memory in use. ENERGY: 947400 3975.2634 20451.2958 14481.7496 255.3243 -203350.1274 2895.7383 0.0000 0.0000 52215.3625 -109075.3935 300.0824 -161290.7560 -108696.3882 299.3429 360.7513 390.0122 761674.7465 26.4505 26.4054 PRESSURE: 947600 -44.8541 -91.1087 -138.024 -91.1085 135.987 292.754 -138.024 292.756 -147.007 GPRESSURE: 947600 -53.6892 -21.2849 -70.4055 -156.408 278.013 242.588 -28.2896 196.78 -175.954 PRESSAVG: 947600 -5.78064 -12.65 22.5228 -12.6501 2.68935 -39.4931 22.5228 -39.4931 10.846 GPRESSAVG: 947600 -6.97263 -13.9877 22.2299 -13.2858 3.25367 -38.764 23.4305 -39.6328 11.516 TIMING: 947600 CPU: 2994.02, 0.00315833/step Wall: 2994.02, 0.00315834/step, 3.55523 hours remaining, 232.667969 MB of memory in use. ENERGY: 947600 4034.1811 20492.6617 14453.6082 252.9211 -202842.1814 2542.9091 0.0000 0.0000 52146.3395 -108919.5607 299.6857 -161065.9002 -108549.6331 299.7167 -18.6247 16.1235 763032.9309 2.5849 2.5990 PRESSURE: 947800 -87.5449 65.4101 131.709 65.4095 121.759 -208.488 131.709 -208.487 -162.208 GPRESSURE: 947800 -85.6307 27.2873 37.1584 78.0155 107.389 -174.681 185.525 -100.794 -83.3976 PRESSAVG: 947800 -73.3004 -36.7329 23.7616 -36.7329 105.138 4.85335 23.7615 4.85338 0.43021 GPRESSAVG: 947800 -72.8689 -37.7744 23.7728 -34.455 104.619 4.29685 22.6738 6.24663 0.511847 TIMING: 947800 CPU: 2994.66, 0.00316956/step Wall: 2994.66, 0.00316956/step, 3.56769 hours remaining, 232.667969 MB of memory in use. ENERGY: 947800 4028.5793 20679.5816 14408.6054 241.1631 -203229.8860 2756.6737 0.0000 0.0000 52022.2269 -109093.0559 298.9725 -161115.2829 -108726.4309 299.7294 -42.6644 -20.5464 763149.3275 10.7560 10.7539 PRESSURE: 948000 -280.113 54.4349 -69.939 54.436 -310.637 12.7423 -69.9388 12.7428 -211.548 GPRESSURE: 948000 -268.329 179.143 -3.6556 12.8907 -209.326 -27.5861 -11.1894 47.0665 -233.508 PRESSAVG: 948000 -17.774 -6.23517 31.6547 -6.23519 1.24781 -23.437 31.6547 -23.437 7.06243 GPRESSAVG: 948000 -17.7906 -4.27667 32.309 -7.60964 2.27006 -21.9682 30.6241 -24.2559 5.77228 TIMING: 948000 CPU: 2995.29, 0.00314958/step Wall: 2995.29, 0.00314958/step, 3.54503 hours remaining, 232.667969 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: 948000 3967.1894 20538.1285 14555.9539 239.0097 -202707.4734 2259.9648 0.0000 0.0000 51980.4455 -109166.7816 298.7323 -161147.2271 -108794.4615 299.7535 -267.4329 -237.0544 763615.1442 -3.1546 -3.2494 PRESSURE: 948200 -203.715 -10.5095 145.459 -10.5093 283.245 17.2535 145.46 17.2538 -63.0812 GPRESSURE: 948200 -128.365 9.03908 163.268 76.7154 283.601 -35.3436 117.908 3.73624 -59.9292 PRESSAVG: 948200 -30.997 -9.28875 50.9554 -9.28875 44.5167 -14.139 50.9555 -14.139 -19.2165 GPRESSAVG: 948200 -31.8085 -10.0521 51.1073 -9.11973 44.1556 -14.6732 50.6081 -13.1737 -18.1584 TIMING: 948200 CPU: 2995.92, 0.00315973/step Wall: 2995.92, 0.00315973/step, 3.55627 hours remaining, 232.667969 MB of memory in use. ENERGY: 948200 4001.1484 20585.0507 14480.5775 238.8372 -203577.5676 2922.5307 0.0000 0.0000 52083.2509 -109266.1722 299.3232 -161349.4231 -108902.4381 299.3186 5.4828 31.7692 762721.5909 -1.8989 -1.9371 LDB: ============= START OF LOAD BALANCING ============== 3008.45 LDB: ============== END OF LOAD BALANCING =============== 3008.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3008.45 LDB: ============= START OF LOAD BALANCING ============== 3008.77 LDB: Largest compute 7060 load 0.032220 is 16.5% of average load 0.195407 LDB: Average compute 0.004389 is 2.2% of average load 0.195407 LDB: TIME 3008.77 LOAD: AVG 0.195407 MAX 0.214424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.633 MB LDB: TIME 3008.77 LOAD: AVG 0.195407 MAX 0.214424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.633 MB LDB: TIME 3008.78 LOAD: AVG 0.195407 MAX 0.214424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.633 MB LDB: ============== END OF LOAD BALANCING =============== 3008.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3008.78 PRESSURE: 948400 153.39 31.985 -137.145 31.9855 422.738 -29.4195 -137.146 -29.42 109.499 GPRESSURE: 948400 256.941 -27.9153 -149.422 117.211 370.102 -116.613 -155.816 5.52524 136.379 PRESSAVG: 948400 -23.5869 25.5938 30.577 25.5937 -8.31721 -22.4435 30.577 -22.4434 21.3521 GPRESSAVG: 948400 -21.9023 25.2238 29.9672 27.0946 -9.50587 -21.9691 32.8518 -26.9653 20.8267 TIMING: 948400 CPU: 2996.56, 0.0032309/step Wall: 2996.56, 0.0032309/step, 3.6362 hours remaining, 234.234375 MB of memory in use. ENERGY: 948400 3965.1805 20581.9224 14486.0850 250.6796 -203524.8716 2884.1866 0.0000 0.0000 52125.2969 -109231.5207 299.5648 -161356.8176 -108871.2581 299.1521 228.5423 254.4742 761516.2438 -3.5173 -3.5272 PRESSURE: 948600 -306.785 80.6577 131.903 80.659 -106.038 -152.403 131.902 -152.402 -198.911 GPRESSURE: 948600 -277.791 112.433 166.262 128.207 7.92762 -234.121 76.3088 -85.6172 -247.306 PRESSAVG: 948600 -42.5321 6.7933 15.2959 6.79337 38.1397 -20.2912 15.2959 -20.2913 4.45191 GPRESSAVG: 948600 -44.2895 7.01156 15.2766 6.07051 39.4801 -23.0037 12.9915 -18.42 5.05401 TIMING: 948600 CPU: 2997.19, 0.00313827/step Wall: 2997.19, 0.00313827/step, 3.53177 hours remaining, 234.507812 MB of memory in use. ENERGY: 948600 4093.7477 20561.9650 14476.6130 258.2536 -203427.0753 2858.1982 0.0000 0.0000 51986.0940 -109192.2038 298.7648 -161178.2978 -108831.4443 299.3822 -203.9111 -172.3896 764112.9919 0.0199 0.0815 PRESSURE: 948800 -219.779 -105.44 8.43184 -105.439 -447.258 -74.5087 8.43113 -74.5099 -9.90915 GPRESSURE: 948800 -143.079 -224.313 -95.1691 19.4729 -477.574 -62.4654 40.0262 -8.22465 25.8527 PRESSAVG: 948800 -21.8924 105.713 10.7057 105.713 14.0822 -18.9909 10.7057 -18.9909 -6.03574 GPRESSAVG: 948800 -20.5741 105.834 11.4687 104.811 12.9697 -17.1251 11.694 -18.8149 -6.69476 TIMING: 948800 CPU: 2997.82, 0.00315693/step Wall: 2997.82, 0.00315693/step, 3.55259 hours remaining, 234.519531 MB of memory in use. ENERGY: 948800 3948.5611 20656.4761 14394.8394 264.9424 -203136.9144 2592.8351 0.0000 0.0000 51916.9972 -109362.2632 298.3677 -161279.2604 -108988.3304 299.3938 -225.6489 -198.2668 765047.7304 -4.6153 -4.7664 PRESSURE: 949000 -242.627 72.793 90.9931 72.7923 -340.179 -100.991 90.9927 -100.989 -681.935 GPRESSURE: 949000 -206.014 96.6225 211.916 110.157 -331.214 -52.771 18.848 -18.1039 -646.384 PRESSAVG: 949000 -8.80085 53.6708 -15.037 53.6707 -4.9633 10.7382 -15.037 10.7382 -10.6676 GPRESSAVG: 949000 -10.1816 52.7488 -14.2706 54.0367 -3.07457 9.24435 -15.6964 12.4942 -11.0859 TIMING: 949000 CPU: 2998.46, 0.003156/step Wall: 2998.46, 0.003156/step, 3.55138 hours remaining, 234.519531 MB of memory in use. ENERGY: 949000 4061.1042 20624.1328 14489.3642 256.7232 -203453.1290 2425.6392 0.0000 0.0000 51979.2397 -109616.9256 298.7254 -161596.1653 -109250.9783 299.3174 -421.5803 -394.5376 763271.2479 -8.1439 -8.1140 PRESSURE: 949200 -149.895 170.424 12.8755 170.425 -386.397 -55.3751 12.8749 -55.3757 -460.077 GPRESSURE: 949200 -132.572 183.085 35.9524 165.974 -375.251 -134.612 -52.3432 -124.96 -389.752 PRESSAVG: 949200 -35.3222 26.5422 -3.73022 26.5422 27.496 -34.563 -3.73023 -34.563 -12.0706 GPRESSAVG: 949200 -33.5781 26.973 -4.05326 25.6884 25.5077 -32.9643 -3.81351 -38.4743 -11.8259 TIMING: 949200 CPU: 2999.09, 0.00315725/step Wall: 2999.09, 0.00315725/step, 3.55261 hours remaining, 234.519531 MB of memory in use. ENERGY: 949200 4003.0771 20637.0346 14429.7553 249.1218 -203339.4281 2509.8482 0.0000 0.0000 52037.7281 -109472.8630 299.0615 -161510.5910 -109102.1474 298.8601 -332.1232 -299.1917 764387.5016 -6.6323 -6.6321 PRESSURE: 949400 -410.283 76.2491 80.2919 76.2494 -221.656 -307.423 80.2918 -307.424 -35.9966 GPRESSURE: 949400 -378.133 55.7513 96.5711 45.9448 -198.173 -320.175 -114.429 -145.228 -20.7075 PRESSAVG: 949400 -76.1652 11.9966 -12.1979 11.9966 50.879 -49.1275 -12.1979 -49.1276 -0.405903 GPRESSAVG: 949400 -77.6161 10.4715 -13.7606 12.914 51.7125 -49.1349 -13.541 -47.6945 0.204589 TIMING: 949400 CPU: 2999.72, 0.00318295/step Wall: 2999.72, 0.00318295/step, 3.58135 hours remaining, 234.519531 MB of memory in use. ENERGY: 949400 3927.7145 20529.8063 14525.9990 268.1091 -203537.0905 2729.0599 0.0000 0.0000 51964.9570 -109591.4447 298.6433 -161556.4017 -109221.1836 298.4569 -222.6454 -199.0044 762720.7909 -8.5640 -8.5663 PRESSURE: 949600 -191.1 -154.898 -22.2037 -154.9 -378.531 145.188 -22.204 145.189 -50.1229 GPRESSURE: 949600 -167.953 -91.3831 3.9716 -85.5789 -322.057 133.938 86.1867 157.132 -54.3089 PRESSAVG: 949600 -38.2045 -5.64989 29.1674 -5.64987 41.7973 2.51546 29.1674 2.51536 20.3061 GPRESSAVG: 949600 -37.9007 -4.12774 30.0804 -5.40483 42.2084 1.46228 32.0334 3.68693 19.6614 TIMING: 949600 CPU: 3000.36, 0.0031652/step Wall: 3000.36, 0.0031652/step, 3.5612 hours remaining, 234.519531 MB of memory in use. ENERGY: 949600 3914.3901 20435.3491 14441.1557 241.9327 -203422.1545 2523.5962 0.0000 0.0000 52016.4685 -109849.2622 298.9394 -161865.7308 -109482.6746 298.3521 -206.5847 -181.4397 762161.3215 7.9663 7.9897 PRESSURE: 949800 357.247 -65.9044 -196.2 -65.905 217.76 142.432 -196.201 142.432 296.111 GPRESSURE: 949800 414.587 -49.0762 -193.485 -42.0654 246.209 70.4596 -230.296 136.4 296.362 PRESSAVG: 949800 15.91 2.0734 -9.64429 2.07342 -22.5649 -35.4306 -9.64425 -35.4306 -11.9774 GPRESSAVG: 949800 16.1448 1.35726 -9.41985 1.86139 -22.0777 -35.5182 -13.4282 -35.706 -11.8108 TIMING: 949800 CPU: 3000.99, 0.00317394/step Wall: 3000.99, 0.00317394/step, 3.57086 hours remaining, 234.519531 MB of memory in use. ENERGY: 949800 3879.6423 20627.9547 14436.8573 250.6646 -203439.0636 2704.8971 0.0000 0.0000 51738.3115 -109800.7361 297.3408 -161539.0477 -109442.0772 298.0665 290.3727 319.0528 760819.0765 -6.2108 -5.9146 PRESSURE: 950000 50.8158 -54.1401 210.879 -54.1397 59.0207 -137.995 210.88 -137.995 -283.98 GPRESSURE: 950000 81.7066 8.42003 245.579 -49.0096 80.7673 -53.4043 156.861 -78.0284 -247.348 PRESSAVG: 950000 9.3427 -17.0911 21.1994 -17.0911 -30.2738 27.7745 21.1994 27.7745 -2.45787 GPRESSAVG: 950000 10.392 -14.558 20.3478 -17.9837 -30.5249 27.8681 24.0691 29.2336 -3.19682 TIMING: 950000 CPU: 3001.62, 0.00316396/step Wall: 3001.62, 0.00316396/step, 3.55945 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: 950000 3976.4196 20551.7427 14492.0557 247.8913 -203836.7555 2773.5034 0.0000 0.0000 51959.0967 -109836.0462 298.6096 -161795.1428 -109474.0188 297.9849 -58.0478 -28.2913 762119.7720 -7.7963 -7.7766 PRESSURE: 950200 444.639 156.418 166.93 156.418 495.131 -146.273 166.93 -146.273 -224.669 GPRESSURE: 950200 498.681 133.716 131.945 -31.295 468.536 -164.701 62.6935 -109.311 -158.772 PRESSAVG: 950200 -5.25218 -12.9657 51.5061 -12.9657 39.499 -70.6167 51.5061 -70.6166 10.9314 GPRESSAVG: 950200 -7.32041 -16.126 50.698 -12.6287 39.7894 -70.5124 52.1754 -72.0472 12.832 TIMING: 950200 CPU: 3002.25, 0.00315387/step Wall: 3002.25, 0.00315387/step, 3.54793 hours remaining, 234.718750 MB of memory in use. ENERGY: 950200 4000.4632 20538.0160 14354.7938 253.6609 -203856.4608 2884.4185 0.0000 0.0000 52016.3971 -109808.7114 298.9389 -161825.1085 -109448.9418 298.1863 238.3670 269.4816 759691.5612 15.0594 15.1004 PRESSURE: 950400 -192.758 209.317 164.03 209.316 196.827 2.62748 164.031 2.62705 37.3739 GPRESSURE: 950400 -123.217 293.143 167.509 286.07 229.368 -64.7638 127.885 -8.89705 24.818 PRESSAVG: 950400 15.082 8.57473 4.3051 8.57463 11.1662 12.7308 4.30505 12.7308 5.39245 GPRESSAVG: 950400 16.133 12.6059 3.54326 6.14188 12.5196 11.0666 2.29443 14.8764 2.85802 TIMING: 950400 CPU: 3002.89, 0.00316136/step Wall: 3002.89, 0.00316136/step, 3.55618 hours remaining, 234.718750 MB of memory in use. ENERGY: 950400 4036.7241 20537.9582 14537.8534 243.8604 -203731.0557 2771.9879 0.0000 0.0000 51964.2568 -109638.4149 298.6393 -161602.6717 -109284.2761 298.3077 13.8143 43.6563 760909.0367 10.5469 10.5035 PRESSURE: 950600 143.631 73.1577 160.098 73.1574 18.0335 -89.8953 160.099 -89.8949 410.515 GPRESSURE: 950600 127.346 115.234 313.874 103.934 63.0439 -93.3208 1.34573 -172.161 461 PRESSAVG: 950600 -0.225477 -13.1966 -18.0936 -13.1966 -22.5523 -68.4389 -18.0936 -68.4389 -7.27822 GPRESSAVG: 950600 -0.724922 -16.1971 -15.3438 -9.2971 -22.551 -67.2078 -17.5732 -71.4375 -6.22713 TIMING: 950600 CPU: 3003.52, 0.00316985/step Wall: 3003.52, 0.00316985/step, 3.56555 hours remaining, 234.718750 MB of memory in use. ENERGY: 950600 3974.0416 20487.1360 14476.9912 253.1218 -203654.7488 2854.9864 0.0000 0.0000 51862.3658 -109746.1060 298.0537 -161608.4717 -109391.9503 298.9499 190.7267 217.1301 761800.5536 -10.0187 -9.8344 PRESSURE: 950800 188.618 -24.8613 -84.9108 -24.8611 185.223 -95.4299 -84.9109 -95.4295 19.0341 GPRESSURE: 950800 213.162 -49.9275 -115.943 -41.281 245.216 8.1593 -65.0613 -247.733 35.3927 PRESSAVG: 950800 -12.8167 21.1468 -25.6039 21.1468 37.1644 -51.1054 -25.6039 -51.1053 16.8347 GPRESSAVG: 950800 -11.8565 20.9247 -25.9124 19.0778 35.5393 -50.2202 -26.0552 -51.6829 17.1552 TIMING: 950800 CPU: 3004.15, 0.00315778/step Wall: 3004.15, 0.00315778/step, 3.5518 hours remaining, 234.718750 MB of memory in use. ENERGY: 950800 4012.8952 20482.2094 14454.0925 229.1401 -203671.6589 2957.9566 0.0000 0.0000 52012.4311 -109522.9339 298.9162 -161535.3650 -109158.6670 298.8689 130.9586 164.5903 761580.3081 13.7274 13.6127 PRESSURE: 951000 42.4635 -58.2727 -45.2529 -58.272 -6.30489 0.249885 -45.2542 0.24918 135.17 GPRESSURE: 951000 124.199 0.415137 -37.5004 -89.4491 55.0643 18.7442 -64.2303 14.2645 76.4365 PRESSAVG: 951000 29.8876 -19.7911 20.9785 -19.7911 -38.7924 -79.069 20.9786 -79.069 -26.9055 GPRESSAVG: 951000 29.1488 -19.0091 20.5888 -18.4048 -37.7962 -79.0258 22.5866 -77.7661 -26.9168 TIMING: 951000 CPU: 3004.78, 0.00314844/step Wall: 3004.78, 0.00314844/step, 3.54112 hours remaining, 234.718750 MB of memory in use. ENERGY: 951000 3904.2521 20409.0760 14519.5928 253.5119 -203458.6657 2763.2540 0.0000 0.0000 52202.4939 -109406.4850 300.0084 -161608.9789 -109043.1946 298.8120 57.1094 85.2332 760778.2348 -11.9368 -11.8547 PRESSURE: 951200 61.8523 89.9706 -4.56158 89.9703 372.89 -120.246 -4.56188 -120.245 159.755 GPRESSURE: 951200 220.413 96.5457 21.9454 176.186 329.59 -91.9654 54.057 -101.1 153.078 PRESSAVG: 951200 -2.91386 -6.14544 20.0751 -6.14536 20.1843 -9.51469 20.0751 -9.51464 17.7243 GPRESSAVG: 951200 -3.03107 -5.89879 19.578 -7.38448 19.4895 -10.5111 20.4078 -10.5786 17.6915 TIMING: 951200 CPU: 3005.42, 0.00318591/step Wall: 3005.42, 0.00318591/step, 3.58308 hours remaining, 234.718750 MB of memory in use. ENERGY: 951200 3986.8542 20398.5699 14488.2348 263.8028 -203474.1924 2877.2191 0.0000 0.0000 52035.3773 -109424.1343 299.0480 -161459.5116 -109063.3589 298.7844 198.1659 234.3605 761024.5214 11.6649 11.3833 PRESSURE: 951400 38.9845 -87.8243 -4.47565 -87.8246 291.553 245.085 -4.47526 245.084 183.828 GPRESSURE: 951400 72.5628 -38.7632 57.304 -136.691 345.075 205.952 -11.6793 346.625 195.745 PRESSAVG: 951400 19.9079 57.2669 -15.7958 57.2668 3.34208 -25.5819 -15.7957 -25.5818 32.0915 GPRESSAVG: 951400 20.3389 59.0281 -14.2372 57.9975 3.08246 -23.7767 -15.5026 -25.9853 32.284 TIMING: 951400 CPU: 3006.05, 0.00316634/step Wall: 3006.05, 0.00316634/step, 3.56091 hours remaining, 234.718750 MB of memory in use. ENERGY: 951400 3963.5170 20561.7296 14436.2813 243.1033 -202996.3960 2514.4813 0.0000 0.0000 51676.3907 -109600.8929 296.9849 -161277.2836 -109255.2654 298.6291 171.4553 204.4610 762044.2566 18.4472 18.5685 PRESSURE: 951600 307.337 -0.488636 -127.562 -0.48912 38.6245 59.0108 -127.562 59.0098 110.803 GPRESSURE: 951600 270.64 -120.78 -100.281 -124.342 154.087 135.291 -123.091 -76.9733 117.088 PRESSAVG: 951600 4.64266 -1.90366 -22.8067 -1.9037 11.215 -26.8527 -22.8067 -26.8526 12.7711 GPRESSAVG: 951600 5.05139 -4.05081 -22.9579 -2.77375 9.91054 -29.0453 -25.1896 -27.5842 13.3825 TIMING: 951600 CPU: 3006.68, 0.00314093/step Wall: 3006.68, 0.00314093/step, 3.53216 hours remaining, 234.718750 MB of memory in use. ENERGY: 951600 3936.4311 20743.6112 14486.2045 241.8934 -203743.2165 2987.9843 0.0000 0.0000 52001.3650 -109345.7271 298.8526 -161347.0921 -108983.0993 298.6114 152.2550 180.6048 762855.9913 9.5429 9.4481 PRESSURE: 951800 150.778 -99.0606 116.022 -99.0597 -298.431 -181.75 116.021 -181.749 -9.248 GPRESSURE: 951800 49.3099 14.8001 103.091 -40.377 -129.944 -115.374 99.5401 -140.964 29.1598 PRESSAVG: 951800 35.5472 48.636 -18.6619 48.636 -15.1193 52.6922 -18.6619 52.6922 -5.27969 GPRESSAVG: 951800 35.2465 49.8696 -18.5619 49.7838 -12.9324 54.5725 -17.5166 55.3069 -6.53238 TIMING: 951800 CPU: 3007.31, 0.00316582/step Wall: 3007.31, 0.00316582/step, 3.55996 hours remaining, 234.718750 MB of memory in use. ENERGY: 951800 3890.9117 20441.6356 14562.0057 259.7270 -203597.5133 2918.2074 0.0000 0.0000 52184.5610 -109340.4649 299.9054 -161525.0258 -108971.3817 299.3990 -52.3004 -17.1579 762347.5928 5.0494 5.2606 PRESSURE: 952000 251.511 -46.6686 188.943 -46.6688 -238.146 49.0861 188.943 49.0856 440.04 GPRESSURE: 952000 326.89 -120.568 205.414 -90.4652 -224.073 9.63007 174.136 5.76169 441.938 PRESSAVG: 952000 26.9861 32.7014 -5.83988 32.7014 -71.9211 -53.7655 -5.83995 -53.7655 2.4315 GPRESSAVG: 952000 26.7663 30.7757 -6.42104 34.0496 -71.9832 -55.1964 -5.25087 -55.0837 2.35028 TIMING: 952000 CPU: 3007.95, 0.00317606/step Wall: 3007.95, 0.00317606/step, 3.5713 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: 952000 3936.5686 20537.2128 14402.6067 256.6285 -203221.6420 2764.5722 0.0000 0.0000 52034.5832 -109289.4700 299.0435 -161324.0532 -108932.8138 299.2389 151.1347 181.5848 762562.7189 -14.1679 -14.2889 PRESSURE: 952200 -22.6396 -87.3505 -97.2016 -87.3503 -304.255 198.041 -97.2016 198.041 -142.889 GPRESSURE: 952200 -27.521 32.9002 -161.702 -62.6932 -317.5 130.204 -60.5541 223.482 -23.3889 PRESSAVG: 952200 106.641 38.5824 15.5155 38.5824 -41.5348 5.61522 15.5155 5.6152 5.28617 GPRESSAVG: 952200 106.584 39.9398 15.1435 39.0372 -41.3563 6.25278 13.3145 5.92046 5.44562 TIMING: 952200 CPU: 3008.58, 0.00316285/step Wall: 3008.58, 0.00316285/step, 3.55627 hours remaining, 234.718750 MB of memory in use. ENERGY: 952200 3999.1675 20549.0521 14530.6103 244.6064 -203363.4633 2477.0250 0.0000 0.0000 52252.6904 -109310.3117 300.2969 -161563.0021 -108945.6672 299.3856 -156.5945 -122.8032 761417.0750 23.4641 23.5578 LDB: ============= START OF LOAD BALANCING ============== 3021.12 LDB: ============== END OF LOAD BALANCING =============== 3021.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3021.12 LDB: ============= START OF LOAD BALANCING ============== 3021.43 LDB: Largest compute 7042 load 0.032517 is 16.6% of average load 0.195367 LDB: Average compute 0.004371 is 2.2% of average load 0.195367 LDB: TIME 3021.43 LOAD: AVG 0.195367 MAX 0.213699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.449 MB LDB: TIME 3021.44 LOAD: AVG 0.195367 MAX 0.213699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: TIME 3021.44 LOAD: AVG 0.195367 MAX 0.213699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.656 MB LDB: ============== END OF LOAD BALANCING =============== 3021.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3021.44 PRESSURE: 952400 -14.0973 92.4729 18.4079 92.4742 159.386 32.1945 18.4083 32.1954 222.953 GPRESSURE: 952400 38.379 163.095 52.5448 85.6694 197.395 49.6719 -106.728 57.2079 194.573 PRESSAVG: 952400 28.3436 20.8775 -47.2746 20.8775 -3.86317 35.378 -47.2746 35.3781 -13.186 GPRESSAVG: 952400 28.0246 20.635 -49.4501 19.4062 -3.68276 33.8802 -45.2701 37.9535 -13.3126 TIMING: 952400 CPU: 3009.23, 0.00321744/step Wall: 3009.23, 0.00321744/step, 3.61747 hours remaining, 233.414062 MB of memory in use. ENERGY: 952400 4038.2809 20460.2231 14467.8522 244.5770 -203341.0086 2612.0506 0.0000 0.0000 52159.9272 -109358.0977 299.7638 -161518.0249 -108996.5607 299.0880 122.7472 143.4489 762128.7554 3.7648 3.6764 PRESSURE: 952600 75.7206 141.353 146.208 141.353 -171.967 149.104 146.208 149.104 -116.892 GPRESSURE: 952600 4.58256 227.965 142.417 200.208 -83.6753 74.344 98.1151 138.097 -51.9188 PRESSAVG: 952600 -13.7027 36.7777 41.7217 36.7777 -50.9422 49.0573 41.7217 49.0573 16.1821 GPRESSAVG: 952600 -14.0525 37.4615 43.8894 36.1606 -50.5908 50.4289 40.2281 47.8128 16.3133 TIMING: 952600 CPU: 3009.86, 0.00315539/step Wall: 3009.86, 0.00315539/step, 3.54754 hours remaining, 233.675781 MB of memory in use. ENERGY: 952600 4012.8593 20594.1258 14520.3106 243.7960 -203785.4176 2986.1738 0.0000 0.0000 52068.3809 -109359.7713 299.2377 -161428.1522 -108999.5455 299.2232 -71.0462 -43.6705 760285.6311 -16.1543 -16.1100 PRESSURE: 952800 46.0134 -139.277 -41.2713 -139.278 187.329 -289.133 -41.2714 -289.134 329.484 GPRESSURE: 952800 164.901 -211.209 -125.433 -142.237 183.391 -222.568 -21.6114 -164.973 324.899 PRESSAVG: 952800 2.7745 -12.9431 16.6216 -12.9431 36.88 -17.6896 16.6216 -17.6897 2.40103 GPRESSAVG: 952800 3.83986 -14.5338 16.4761 -11.7167 37.1916 -17.7376 15.1293 -16.8606 1.76201 TIMING: 952800 CPU: 3010.49, 0.00314594/step Wall: 3010.49, 0.00314594/step, 3.53674 hours remaining, 233.675781 MB of memory in use. ENERGY: 952800 3974.7775 20706.2623 14429.4337 240.8274 -203708.4073 2697.1285 0.0000 0.0000 52100.2342 -109559.7438 299.4208 -161659.9780 -109194.7683 299.0908 187.6088 224.3972 760924.3815 14.0185 14.2645 PRESSURE: 953000 -2.76657 -276.73 41.3289 -276.73 -284.273 98.5408 41.3296 98.5401 156.053 GPRESSURE: 953000 -46.7009 -267.288 85.9611 -92.1594 -236.467 77.0996 -19.1569 153.35 224.08 PRESSAVG: 953000 -22.7031 -25.6532 -23.1793 -25.6533 -2.72217 -25.6754 -23.1793 -25.6754 -15.523 GPRESSAVG: 953000 -21.4947 -24.434 -23.0555 -26.4571 -4.08772 -25.8121 -20.5469 -26.2368 -15.0455 TIMING: 953000 CPU: 3011.12, 0.00315885/step Wall: 3011.12, 0.00315885/step, 3.55107 hours remaining, 233.675781 MB of memory in use. ENERGY: 953000 3936.9429 20481.4570 14467.3330 244.1660 -203199.0638 2483.5625 0.0000 0.0000 51853.8133 -109731.7890 298.0046 -161585.6023 -109371.4573 298.6783 -43.6621 -19.6957 761748.8271 -13.6494 -13.5426 PRESSURE: 953200 179.318 277.407 71.1059 277.407 172.075 22.5909 71.1058 22.5908 146.082 GPRESSURE: 953200 253.362 205.272 127.249 280.99 232.503 11.0617 62.7169 134.875 80.595 PRESSAVG: 953200 -59.6235 33.0866 43.1526 33.0866 72.8218 21.1112 43.1525 21.1112 9.32205 GPRESSAVG: 953200 -61.7686 31.1855 42.4965 32.6782 75.0203 20.9999 43.4926 20.3859 8.87818 TIMING: 953200 CPU: 3011.75, 0.00315982/step Wall: 3011.75, 0.00315982/step, 3.55199 hours remaining, 233.675781 MB of memory in use. ENERGY: 953200 3889.8736 20662.4382 14436.0511 261.8829 -203471.0222 2721.5916 0.0000 0.0000 51899.4735 -109599.7112 298.2670 -161499.1847 -109234.7861 299.1579 165.8249 188.8199 759419.0569 7.5068 7.3766 PRESSURE: 953400 -335.701 -78.6945 -40.3895 -78.6948 -143.688 107.703 -40.3899 107.702 -100.398 GPRESSURE: 953400 -228.464 -107.857 28.2665 -30.5499 -151.216 68.7923 -139.071 193.286 -94.7771 PRESSAVG: 953400 -43.1991 -26.6301 18.7686 -26.6301 42.5495 16.9847 18.7686 16.9847 -3.35258 GPRESSAVG: 953400 -42.0731 -24.2778 20.5464 -26.2042 41.9119 17.8819 18.9298 15.7915 -3.73517 TIMING: 953400 CPU: 3012.38, 0.00314853/step Wall: 3012.38, 0.00314853/step, 3.53913 hours remaining, 233.710938 MB of memory in use. ENERGY: 953400 4016.1480 20509.7775 14448.2774 250.8229 -203796.7612 2692.4240 0.0000 0.0000 52319.5932 -109559.7182 300.6814 -161879.3114 -109192.2060 299.5508 -193.2626 -158.1524 760763.4062 -1.3341 -1.2988 PRESSURE: 953600 306.216 -62.034 -102.11 -62.0342 -82.4874 -52.3758 -102.11 -52.3757 -307.558 GPRESSURE: 953600 301.088 -84.1104 -36.928 -12.0201 13.8165 -76.9588 -109.048 -17.5425 -303.045 PRESSAVG: 953600 -23.3062 8.8992 -0.592692 8.89907 23.7017 38.101 -0.59271 38.101 -3.76456 GPRESSAVG: 953600 -24.3853 7.9597 -2.7725 8.14529 23.6436 36.7933 -0.808942 39.5946 -2.80811 TIMING: 953600 CPU: 3013.01, 0.00316192/step Wall: 3013.01, 0.00316192/step, 3.554 hours remaining, 233.710938 MB of memory in use. ENERGY: 953600 3902.8786 20539.0318 14370.0824 237.8658 -203231.1351 2320.6747 0.0000 0.0000 52416.5197 -109444.0820 301.2385 -161860.6017 -109073.5645 299.0886 -27.9431 3.9533 759681.2975 -1.1230 -1.1833 PRESSURE: 953800 -14.451 -159.395 181.898 -159.395 -179.984 218.642 181.899 218.641 -210.011 GPRESSURE: 953800 70.277 -239.377 318.879 -186.067 -154.09 135.614 -33.4955 104.183 -231.807 PRESSAVG: 953800 -16.8898 -46.7578 51.2462 -46.7578 -8.16906 15.6621 51.2462 15.6622 1.4693 GPRESSAVG: 953800 -16.0414 -48.1696 52.4151 -45.9535 -7.99291 15.8543 49.8808 16.1385 0.719623 TIMING: 953800 CPU: 3013.64, 0.00316291/step Wall: 3013.64, 0.00316291/step, 3.55493 hours remaining, 233.710938 MB of memory in use. ENERGY: 953800 3924.3181 20518.1196 14462.4584 244.2927 -203246.7798 2483.5634 0.0000 0.0000 52285.5935 -109328.4342 300.4860 -161614.0277 -108966.3015 299.5568 -134.8153 -105.2068 760817.3043 -7.8632 -7.7716 PRESSURE: 954000 59.7267 -5.17008 56.4708 -5.16818 213.311 -198.856 56.47 -198.855 80.4833 GPRESSURE: 954000 77.9095 -29.5274 156.369 -3.69347 259.027 -234.241 63.9684 -266.073 78.0238 PRESSAVG: 954000 23.5948 -5.31566 0.896929 -5.31565 -37.2278 -44.8999 0.896954 -44.9 20.8975 GPRESSAVG: 954000 22.7717 -5.09947 2.27597 -6.85457 -37.5527 -44.5374 0.719085 -45.9146 22.3168 TIMING: 954000 CPU: 3014.28, 0.00315851/step Wall: 3014.28, 0.00315851/step, 3.54982 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: 954000 4051.4101 20573.6439 14434.0905 233.7525 -203747.9337 2836.6881 0.0000 0.0000 51970.2705 -109648.0781 298.6739 -161618.3487 -109285.2662 298.9833 117.8402 138.3203 760085.7299 2.4215 2.5119 PRESSURE: 954200 71.4635 7.20901 -64.834 7.2094 -22.1872 -104.452 -64.8348 -104.453 283.259 GPRESSURE: 954200 162.641 50.0432 -136.512 0.489949 -55.4642 21.9992 -95.6688 -140.225 306.246 PRESSAVG: 954200 11.0327 1.52283 7.54725 1.52284 -12.8118 -76.5507 7.54729 -76.5507 5.5849 GPRESSAVG: 954200 11.8385 0.594337 7.00471 2.31418 -13.9065 -75.0546 7.56385 -76.6341 5.0659 TIMING: 954200 CPU: 3014.91, 0.00316726/step Wall: 3014.91, 0.00316726/step, 3.55947 hours remaining, 233.710938 MB of memory in use. ENERGY: 954200 4032.3936 20502.6939 14406.3000 235.3275 -203095.5799 2316.9757 0.0000 0.0000 52067.7703 -109534.1189 299.2342 -161601.8892 -109171.1417 298.5453 110.8451 137.8075 760503.6766 1.2686 0.9993 PRESSURE: 954400 331.93 -55.6506 77.1324 -55.6505 -240.193 60.1522 77.1327 60.1518 -156.152 GPRESSURE: 954400 314.13 -70.0632 143.312 -28.3717 -221.675 7.1631 -15.9556 -21.0364 -71.9689 PRESSAVG: 954400 82.8669 -17.0257 5.82448 -17.0257 -58.8878 -25.494 5.82449 -25.4941 -3.35422 GPRESSAVG: 954400 82.0771 -15.2256 6.11823 -17.1642 -58.5684 -27.0868 6.58268 -24.4675 -2.56951 TIMING: 954400 CPU: 3015.54, 0.00315468/step Wall: 3015.54, 0.00315468/step, 3.54516 hours remaining, 233.710938 MB of memory in use. ENERGY: 954400 4008.3855 20396.8878 14482.8661 258.3048 -203655.1430 2769.2075 0.0000 0.0000 52288.4781 -109451.0132 300.5026 -161739.4913 -109076.2680 299.4084 -21.4718 6.8286 760485.4911 6.8750 6.9797 PRESSURE: 954600 480.029 101.317 80.7396 101.317 77.7343 -1.01416 80.7387 -1.0151 -64.384 GPRESSURE: 954600 387.284 67.0831 100.89 130.692 125.891 73.4869 -41.6542 10.2803 20.366 PRESSAVG: 954600 57.5458 25.1957 -39.9855 25.1957 -30.4325 -21.8089 -39.9854 -21.8089 -31.2512 GPRESSAVG: 954600 56.7197 24.2014 -40.4753 25.0582 -29.6282 -21.9972 -39.5353 -20.9584 -31.2328 TIMING: 954600 CPU: 3016.17, 0.00314309/step Wall: 3016.17, 0.00314309/step, 3.53196 hours remaining, 233.710938 MB of memory in use. ENERGY: 954600 3945.4662 20558.5542 14478.5852 247.6740 -203750.5905 2744.8181 0.0000 0.0000 52051.8403 -109723.6525 299.1426 -161775.4929 -109364.5292 299.3458 164.4596 177.8471 760088.8792 -1.3793 -1.3804 PRESSURE: 954800 -234.406 -131.936 -1.16125 -131.936 -78.6636 -254.867 -1.16156 -254.867 196.999 GPRESSURE: 954800 -241.076 -80.0021 -7.539 -40.8972 5.99589 -239.763 -41.4708 -247.054 232.805 PRESSAVG: 954800 16.3094 38.7103 -24.4722 38.7104 -32.197 -2.95028 -24.4722 -2.95027 -1.37273 GPRESSAVG: 954800 15.9915 39.4202 -23.651 40.4505 -32.8463 -3.31119 -24.4024 -2.38016 -0.69366 TIMING: 954800 CPU: 3016.8, 0.00315036/step Wall: 3016.8, 0.00315036/step, 3.53995 hours remaining, 233.710938 MB of memory in use. ENERGY: 954800 4001.1309 20465.4617 14574.9708 282.4006 -203264.0109 2509.1445 0.0000 0.0000 51855.2081 -109575.6943 298.0126 -161430.9025 -109214.2884 298.8400 -38.6904 -0.7583 760507.8248 -5.7534 -5.8495 PRESSURE: 955000 139 121.707 -52.3403 121.707 128.773 -43.0561 -52.3405 -43.0548 -164.981 GPRESSURE: 955000 67.7765 13.3772 -64.4183 39.7785 158.918 -12.0606 2.86739 -56.1035 -33.287 PRESSAVG: 955000 -3.75957 6.17841 -20.8579 6.17846 15.8517 -49.8538 -20.8578 -49.8538 35.3428 GPRESSAVG: 955000 -2.93254 5.98446 -21.8753 3.15448 15.3956 -48.7749 -21.694 -51.2427 35.2562 TIMING: 955000 CPU: 3017.44, 0.00318593/step Wall: 3017.44, 0.00318593/step, 3.57974 hours remaining, 233.710938 MB of memory in use. ENERGY: 955000 4066.7616 20313.4852 14477.6925 247.0618 -203321.9955 2571.8694 0.0000 0.0000 51850.3387 -109794.7864 297.9846 -161645.1251 -109438.0530 298.9779 34.2644 64.4693 761358.0569 15.8117 15.9064 PRESSURE: 955200 -117.285 114.072 235.147 114.073 -43.8102 66.0661 235.148 66.0662 19.4893 GPRESSURE: 955200 -18.4704 -0.32042 222.726 33.3192 -60.3269 105.1 239.408 20.3386 27.1734 PRESSAVG: 955200 -39.8053 -12.3452 -3.23197 -12.3452 25.0377 -7.6935 -3.23195 -7.69349 4.48472 GPRESSAVG: 955200 -39.1853 -12.5605 -2.96862 -11.103 25.0141 -8.82753 -3.50955 -8.57766 3.63163 TIMING: 955200 CPU: 3018.07, 0.00317666/step Wall: 3018.07, 0.00317666/step, 3.56916 hours remaining, 233.710938 MB of memory in use. ENERGY: 955200 4077.4166 20440.8187 14473.2337 252.2460 -203372.9875 2585.2637 0.0000 0.0000 51800.2003 -109743.8085 297.6965 -161544.0088 -109391.7276 298.2908 -47.2019 -17.2079 761200.9866 -3.4276 -3.5132 PRESSURE: 955400 97.4234 1.38832 73.7946 1.38904 -43.1709 -80.2807 73.795 -80.281 -108.846 GPRESSURE: 955400 194.934 27.956 52.2192 -53.902 -122.498 -30.7603 98.2179 -55.3477 -56.74 PRESSAVG: 955400 16.8453 -1.06371 -9.83177 -1.06382 17.1768 -22.0796 -9.83178 -22.0796 5.01654 GPRESSAVG: 955400 17.0261 -0.690745 -9.55961 -0.529667 16.0839 -22.0633 -10.2162 -20.5457 5.98249 TIMING: 955400 CPU: 3018.7, 0.00315539/step Wall: 3018.7, 0.00315539/step, 3.54508 hours remaining, 233.710938 MB of memory in use. ENERGY: 955400 3967.7876 20331.3321 14489.9808 248.6711 -203488.9532 2481.0742 0.0000 0.0000 52257.8190 -109712.2884 300.3264 -161970.1074 -109332.2931 298.8356 -18.1979 5.2320 761097.7833 13.0129 13.0308 PRESSURE: 955600 258.401 -38.3486 95.1781 -38.3485 184.833 -60.0428 95.1788 -60.0417 -205.305 GPRESSURE: 955600 301.935 -2.40721 58.2439 -60.2368 217.402 11.1036 132.714 -130.351 -188.572 PRESSAVG: 955600 30.9938 -44.6984 17.6209 -44.6984 -47.8228 -27.9854 17.6209 -27.9854 4.85445 GPRESSAVG: 955600 30.9506 -44.1297 17.4745 -44.587 -48.1212 -27.312 21.6242 -30.4805 4.55209 TIMING: 955600 CPU: 3019.33, 0.0031496/step Wall: 3019.33, 0.0031496/step, 3.5384 hours remaining, 233.710938 MB of memory in use. ENERGY: 955600 3965.8394 20373.8664 14393.2186 244.8855 -203392.7461 2718.8768 0.0000 0.0000 52110.9781 -109585.0813 299.4825 -161696.0594 -109214.6071 298.6957 79.3097 110.2550 760292.3313 -3.9915 -4.2062 PRESSURE: 955800 -120.713 8.08 -33.553 8.07981 -161.718 53.6663 -33.5532 53.6664 -203.641 GPRESSURE: 955800 -100.682 -14.1538 -32.1759 45.3104 -123.445 40.0186 -81.6083 39.0644 -175.663 PRESSAVG: 955800 -28.146 19.5914 28.2283 19.5914 30.7087 -48.811 28.2282 -48.811 -16.6359 GPRESSAVG: 955800 -29.5731 20.23 28.884 19.4456 32.1707 -48.6094 27.1999 -45.8085 -16.8302 TIMING: 955800 CPU: 3019.96, 0.0031638/step Wall: 3019.96, 0.0031638/step, 3.55418 hours remaining, 233.710938 MB of memory in use. ENERGY: 955800 3978.3905 20343.8023 14478.4026 262.8577 -202873.9817 2330.6429 0.0000 0.0000 52086.9218 -109392.9640 299.3443 -161479.8857 -109036.8383 298.8011 -162.0242 -133.2632 763073.6747 -4.6911 -4.7442 PRESSURE: 956000 -144.605 139.413 -0.52012 139.413 -74.173 -289.564 -0.519338 -289.564 -85.6689 GPRESSURE: 956000 -106.21 53.3218 -85.4728 138.096 -80.2937 -306.517 59.3139 -205.812 -41.0011 PRESSAVG: 956000 5.56442 -20.9272 20.7547 -20.9273 -14.4789 -77.5615 20.7547 -77.5615 -0.882064 GPRESSAVG: 956000 5.88419 -21.8007 21.4339 -18.6848 -14.4518 -78.0161 17.9834 -77.8398 -1.23607 TIMING: 956000 CPU: 3020.59, 0.00314517/step Wall: 3020.59, 0.00314517/step, 3.53307 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: 956000 4073.7749 20406.5007 14546.5932 249.2318 -203111.8799 2625.8936 0.0000 0.0000 51902.5574 -109307.3283 298.2847 -161209.8857 -108953.1821 299.1142 -101.4822 -75.8348 763236.4404 -3.2655 -3.2679 PRESSURE: 956200 -58.599 -104.866 6.52643 -104.866 105.033 -60.2642 6.52665 -60.2632 -310.651 GPRESSURE: 956200 -13.4062 -53.2678 -36.9163 -221.449 91.0101 -147.346 5.02527 -126.942 -242.613 PRESSAVG: 956200 -19.3619 1.20284 -3.73675 1.20282 18.5042 -95.6529 -3.73671 -95.6528 5.14847 GPRESSAVG: 956200 -17.7541 -1.13382 -4.37969 1.8166 17.1589 -96.835 -2.90042 -98.7166 4.80194 TIMING: 956200 CPU: 3021.23, 0.00318005/step Wall: 3021.23, 0.00318005/step, 3.57208 hours remaining, 233.710938 MB of memory in use. ENERGY: 956200 3965.0308 20542.0522 14499.8636 250.2809 -203514.3574 2856.2547 0.0000 0.0000 51948.8027 -109452.0724 298.5505 -161400.8751 -109102.1265 298.8031 -88.0725 -55.0031 763887.1974 1.4303 1.4022 LDB: ============= START OF LOAD BALANCING ============== 3033.76 LDB: ============== END OF LOAD BALANCING =============== 3033.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3033.77 LDB: ============= START OF LOAD BALANCING ============== 3034.08 LDB: Largest compute 7070 load 0.032590 is 16.7% of average load 0.195314 LDB: Average compute 0.004390 is 2.2% of average load 0.195314 LDB: TIME 3034.09 LOAD: AVG 0.195314 MAX 0.215002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.59 MB LDB: TIME 3034.09 LOAD: AVG 0.195314 MAX 0.215002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: TIME 3034.09 LOAD: AVG 0.195314 MAX 0.215002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.793 MB LDB: ============== END OF LOAD BALANCING =============== 3034.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3034.09 PRESSURE: 956400 -63.5847 -51.0271 -192.355 -51.0279 111.635 46.7349 -192.355 46.7346 108.506 GPRESSURE: 956400 13.2568 -23.9293 -200.186 -94.7778 100.117 16.8528 -127.355 135.983 115.843 PRESSAVG: 956400 -55.59 26.3968 -5.73515 26.3968 49.9962 -20.3069 -5.73512 -20.3069 -12.8311 GPRESSAVG: 956400 -57.235 27.092 -5.56103 26.1319 51.0635 -20.773 -4.69239 -18.368 -12.1592 TIMING: 956400 CPU: 3021.88, 0.00323945/step Wall: 3021.88, 0.00323945/step, 3.63862 hours remaining, 231.640625 MB of memory in use. ENERGY: 956400 3946.3373 20511.0714 14486.6489 247.7029 -203548.8784 2668.0416 0.0000 0.0000 52295.7814 -109393.2949 300.5446 -161689.0763 -109028.5335 299.1238 52.1856 76.4055 761150.2290 -6.1416 -6.1102 PRESSURE: 956600 -94.1732 108.776 38.3684 108.776 -98.0383 -87.817 38.3683 -87.8166 -315.912 GPRESSURE: 956600 -82.6547 118.555 71.8494 80.8734 -91.6646 -112.847 187.508 -197.624 -256.865 PRESSAVG: 956600 -5.9324 -11.8466 -6.86299 -11.8466 32.2133 -18.0478 -6.86297 -18.0479 27.9423 GPRESSAVG: 956600 -3.79899 -10.4629 -7.50694 -12.2282 30.3928 -16.9683 -6.5835 -18.5158 27.4593 TIMING: 956600 CPU: 3022.51, 0.00317604/step Wall: 3022.51, 0.00317604/step, 3.56722 hours remaining, 231.640625 MB of memory in use. ENERGY: 956600 4119.0132 20560.0377 14453.5982 232.9795 -203290.3427 2498.1998 0.0000 0.0000 52100.5541 -109325.9602 299.4226 -161426.5143 -108952.5521 299.2147 -169.3744 -143.7281 760942.1948 18.0744 18.0177 PRESSURE: 956800 247.612 180.633 -77.3526 180.634 203.738 -250.006 -77.3522 -250.007 -303.727 GPRESSURE: 956800 247.182 138.786 -63.2522 159.341 189.796 -206.496 -151.138 -215.252 -220.01 PRESSAVG: 956800 17.711 8.46824 51.1372 8.4682 -14.3384 -54.6597 51.1372 -54.6597 -6.8263 GPRESSAVG: 956800 16.0375 8.12602 50.5859 7.03721 -12.0218 -54.2558 52.6296 -53.3969 -7.18815 TIMING: 956800 CPU: 3023.15, 0.00318158/step Wall: 3023.15, 0.00318158/step, 3.57327 hours remaining, 231.640625 MB of memory in use. ENERGY: 956800 4050.5043 20553.0104 14412.2439 236.6713 -202794.7888 2477.4882 0.0000 0.0000 51756.3759 -109308.4947 297.4446 -161064.8706 -108935.7323 299.6003 49.2076 72.3226 762311.2001 -1.1512 -1.0575 PRESSURE: 957000 51.5415 76.3191 4.39762 76.3185 232.605 -146.589 4.39852 -146.589 130.645 GPRESSURE: 957000 85.9822 91.3881 34.638 128.081 222.811 -95.3964 -14.8022 -290.395 168.861 PRESSAVG: 957000 -2.30797 59.6128 38.1897 59.6127 0.376647 -83.2959 38.1897 -83.2959 15.5169 GPRESSAVG: 957000 -2.70313 59.1996 38.8505 58.9282 -0.365105 -85.1086 37.9113 -82.7199 16.4796 TIMING: 957000 CPU: 3023.79, 0.00318148/step Wall: 3023.79, 0.00318148/step, 3.57298 hours remaining, 231.640625 MB of memory in use. ENERGY: 957000 3975.7195 20445.7296 14465.4663 245.7492 -203579.5662 2916.3327 0.0000 0.0000 52096.9206 -109433.6483 299.4017 -161530.5689 -109068.4279 299.2864 138.2641 159.2179 762025.9842 4.5285 4.4704 PRESSURE: 957200 -376.201 -22.9338 -109 -22.9332 -184.479 -131.679 -109 -131.68 -5.99776 GPRESSURE: 957200 -282.498 -4.87124 -131.221 16.4262 -135.225 -134.422 -165.182 -204.983 -63.4604 PRESSAVG: 957200 -25.0882 33.4575 13.011 33.4575 37.9126 -45.3503 13.0111 -45.3503 -14.81 GPRESSAVG: 957200 -24.2438 33.9933 12.7474 34.9392 37.4053 -42.2169 10.9326 -47.4994 -14.9265 TIMING: 957200 CPU: 3024.42, 0.00317953/step Wall: 3024.42, 0.00317953/step, 3.57061 hours remaining, 231.640625 MB of memory in use. ENERGY: 957200 3995.5750 20492.5152 14454.9918 240.8337 -202820.8222 2176.7419 0.0000 0.0000 52100.9242 -109359.2404 299.4247 -161460.1646 -108991.2268 299.3628 -188.8926 -160.3943 761954.6350 -0.6619 -0.5883 PRESSURE: 957400 -90.1975 -96.1099 44.7475 -96.1103 177.574 -77.0436 44.7477 -77.043 -53.1813 GPRESSURE: 957400 -84.5182 -69.9076 86.3301 -26.4682 181.629 -9.3159 158.603 -22.1016 5.47926 PRESSAVG: 957400 -65.4629 -17.3817 28.3483 -17.3817 42.5396 -6.3974 28.3483 -6.39735 27.3819 GPRESSAVG: 957400 -66.5345 -17.9069 28.191 -18.5384 44.3701 -7.74171 29.1802 -5.61366 27.2979 TIMING: 957400 CPU: 3025.06, 0.0032039/step Wall: 3025.06, 0.0032039/step, 3.5978 hours remaining, 231.640625 MB of memory in use. ENERGY: 957400 4029.4954 20403.0061 14476.4322 256.8863 -203044.2745 2546.8746 0.0000 0.0000 52274.2083 -109057.3716 300.4206 -161331.5799 -108695.3976 299.6168 11.3985 34.1967 761716.2691 1.4862 1.7112 PRESSURE: 957600 41.5152 82.9613 110.158 82.9612 35.3114 37.4956 110.158 37.4953 -94.8534 GPRESSURE: 957600 31.748 -91.7894 163.892 90.4669 53.5404 76.4991 84.0515 -65.2604 -19.7421 PRESSAVG: 957600 -69.4849 48.7857 -8.68116 48.7857 50.0616 -24.8441 -8.68114 -24.8441 3.28859 GPRESSAVG: 957600 -68.1287 48.9883 -8.27337 49.8198 49.1472 -23.4564 -8.51227 -22.3339 2.98437 TIMING: 957600 CPU: 3025.69, 0.00315457/step Wall: 3025.69, 0.00315457/step, 3.54223 hours remaining, 231.640625 MB of memory in use. ENERGY: 957600 4045.8757 20596.2669 14493.2234 244.8599 -203344.9789 2580.3151 0.0000 0.0000 52212.3479 -109172.0899 300.0651 -161384.4378 -108810.8369 299.6355 -6.0089 21.8488 762810.6485 -5.3782 -5.3324 PRESSURE: 957800 -2.43955 415.016 97.6276 415.017 -384.601 38.3672 97.6273 38.3672 -239.951 GPRESSURE: 957800 16.9805 373.49 14.0647 436.774 -372.925 31.7383 -8.4529 20.3151 -192.311 PRESSAVG: 957800 -46.3137 0.311018 16.6426 0.311011 48.7516 7.72486 16.6427 7.72485 -2.96736 GPRESSAVG: 957800 -46.3909 0.492376 14.9744 1.1759 49.1229 6.14776 17.68 4.65756 -3.31684 TIMING: 957800 CPU: 3026.33, 0.00318237/step Wall: 3026.33, 0.00318237/step, 3.57327 hours remaining, 231.640625 MB of memory in use. ENERGY: 957800 4038.4217 20652.0272 14389.2792 241.7487 -202712.4640 2378.7089 0.0000 0.0000 52031.7658 -108980.5124 299.0273 -161012.2782 -108619.7370 299.6069 -208.9973 -182.7519 762449.3365 -0.1765 -0.1950 PRESSURE: 958000 368.065 -54.1739 -153.466 -54.1747 384.161 20.0902 -153.467 20.0906 320.969 GPRESSURE: 958000 368.69 -51.2567 -172.788 -17.0692 488.727 -8.98119 -224.399 95.3354 287.46 PRESSAVG: 958000 2.00111 57.4337 -8.50517 57.4336 -5.27547 -39.5969 -8.50519 -39.5969 15.8568 GPRESSAVG: 958000 1.4925 59.8413 -8.24183 54.9013 -5.71328 -39.9908 -9.10949 -37.7884 16.7921 TIMING: 958000 CPU: 3026.97, 0.00318169/step Wall: 3026.97, 0.00318169/step, 3.57233 hours remaining, 231.640625 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: 958000 4050.1410 20564.3307 14460.5057 235.3991 -203399.4431 2761.1463 0.0000 0.0000 52218.6898 -109109.2304 300.1015 -161327.9202 -108746.7920 300.0337 357.7316 381.6259 760140.9735 4.1941 4.1904 PRESSURE: 958200 19.8591 32.3728 91.1047 32.3732 146.235 125.331 91.1047 125.331 64.7279 GPRESSURE: 958200 46.2703 118.821 62.6904 57.763 146.563 138.016 174.134 71.8331 111.26 PRESSAVG: 958200 -12.6621 -4.10932 12.7387 -4.10938 6.43183 -5.83691 12.7387 -5.83694 4.31862 GPRESSAVG: 958200 -13.2503 -5.97528 14.5821 -3.48152 8.12391 -7.46863 11.5335 -4.66143 3.13251 TIMING: 958200 CPU: 3027.6, 0.00316161/step Wall: 3027.6, 0.00316161/step, 3.5496 hours remaining, 231.640625 MB of memory in use. ENERGY: 958200 3993.3371 20652.6792 14402.2443 232.1375 -203030.5496 2600.7874 0.0000 0.0000 52087.2743 -109062.0899 299.3463 -161149.3642 -108697.3905 299.8302 76.9406 101.3645 761955.9845 -0.6372 -0.6646 PRESSURE: 958400 -304.388 -26.2911 14.4423 -26.2903 -293.194 85.6402 14.4438 85.6395 219.372 GPRESSURE: 958400 -245.386 -32.3023 -24.6803 -37.539 -285.212 137.661 102.61 162.14 254.34 PRESSAVG: 958400 17.4653 -63.2199 8.57259 -63.2199 0.0492149 -14.6222 8.57262 -14.6223 -16.5171 GPRESSAVG: 958400 18.1361 -60.8237 6.66784 -64.4665 -1.12124 -12.6082 9.77231 -16.2617 -15.6323 TIMING: 958400 CPU: 3028.23, 0.00313745/step Wall: 3028.23, 0.00313745/step, 3.52231 hours remaining, 231.640625 MB of memory in use. ENERGY: 958400 3929.4610 20655.4110 14369.8707 240.4017 -202945.1874 2474.5023 0.0000 0.0000 52213.9570 -109061.5835 300.0743 -161275.5406 -108697.5480 299.8670 -126.0703 -92.0861 761861.3276 0.3325 0.4609 PRESSURE: 958600 -216.789 108.732 235.573 108.732 -54.1264 -48.1778 235.573 -48.1773 -23.2836 GPRESSURE: 958600 -182.554 -43.9715 270.316 40.2882 58.5088 -43.5352 223.861 28.9473 -84.1274 PRESSAVG: 958600 -64.1004 -60.9878 -25.7365 -60.9879 41.2507 -40.6395 -25.7365 -40.6395 8.10193 GPRESSAVG: 958600 -63.199 -64.1535 -25.23 -58.0267 40.3286 -39.6644 -22.776 -42.0791 8.56446 TIMING: 958600 CPU: 3028.86, 0.00315245/step Wall: 3028.86, 0.00315245/step, 3.53898 hours remaining, 231.640625 MB of memory in use. ENERGY: 958600 3956.3389 20533.0904 14443.6570 257.3295 -202912.6778 2287.6347 0.0000 0.0000 52242.7032 -109191.9242 300.2395 -161434.6274 -108822.5189 299.7483 -98.0662 -69.3908 759671.4933 -4.9160 -4.7687 PRESSURE: 958800 109.453 -317.655 166.587 -317.655 -219.174 100.51 166.586 100.509 -144.479 GPRESSURE: 958800 197.741 -277.201 53.9724 -196.517 -203.175 37.211 138.676 57.5486 -177.556 PRESSAVG: 958800 -34.0109 -12.3205 34.5231 -12.3204 23.334 25.1532 34.5231 25.1532 -1.77911 GPRESSAVG: 958800 -34.5337 -12.5208 34.8922 -12.7578 23.7829 24.9857 31.144 26.3974 -2.10678 TIMING: 958800 CPU: 3029.49, 0.00317826/step Wall: 3029.49, 0.00317826/step, 3.56777 hours remaining, 231.640625 MB of memory in use. ENERGY: 958800 3943.9553 20532.1108 14460.2083 249.0878 -203292.6047 2588.8594 0.0000 0.0000 52059.0461 -109459.3371 299.1841 -161518.3832 -109089.6077 299.6124 -84.7331 -60.9968 761944.6910 -4.1520 -4.2858 PRESSURE: 959000 -138.825 64.4183 -9.54189 64.4179 -266.677 161.064 -9.54226 161.063 -135.642 GPRESSURE: 959000 -174.789 21.3902 10.724 165.191 -150.163 93.5299 113.602 21.9015 -118.342 PRESSAVG: 959000 -27.2495 23.4542 113.306 23.4542 9.34518 -25.1747 113.306 -25.1747 18.3199 GPRESSAVG: 959000 -26.7678 25.2118 113.189 21.3078 9.41595 -26.3329 112.376 -25.5873 17.6299 TIMING: 959000 CPU: 3030.12, 0.00314571/step Wall: 3030.12, 0.00314571/step, 3.53106 hours remaining, 231.640625 MB of memory in use. ENERGY: 959000 3938.6799 20284.4021 14525.6462 239.1801 -203113.5406 2229.4613 0.0000 0.0000 52451.3425 -109444.8285 301.4386 -161896.1710 -109075.2157 298.8721 -180.3816 -147.7646 760267.1101 0.1386 0.0927 PRESSURE: 959200 -204.792 235.424 -14.4386 235.423 8.24072 -284.093 -14.4388 -284.094 -24.0733 GPRESSURE: 959200 -143.686 212.023 -22.7615 206.879 55.0072 -225.245 49.3915 -254.421 -52.5224 PRESSAVG: 959200 -3.83545 7.80319 53.9829 7.80318 31.277 -4.01055 53.9829 -4.01051 -3.34033 GPRESSAVG: 959200 -3.54814 8.73257 53.0874 7.77978 31.277 -1.37744 58.1135 -6.18803 -3.67394 TIMING: 959200 CPU: 3030.75, 0.00315483/step Wall: 3030.75, 0.00315483/step, 3.54112 hours remaining, 231.640625 MB of memory in use. ENERGY: 959200 3970.4791 20546.2889 14494.6796 226.1919 -203390.1941 2780.3723 0.0000 0.0000 52182.2556 -109189.9268 299.8921 -161372.1824 -108826.9144 299.5366 -73.5415 -47.0672 761595.6464 8.0337 8.0183 PRESSURE: 959400 9.93695 -131.353 201.362 -131.354 -159.976 91.0915 201.362 91.0907 -42.825 GPRESSURE: 959400 32.1396 -109.555 118.166 -157.289 -155.093 201.107 100.231 -47.9928 2.51245 PRESSAVG: 959400 46.2065 -7.34951 44.7056 -7.34953 -20.146 -45.0151 44.7056 -45.0151 36.2566 GPRESSAVG: 959400 45.1851 -5.60471 46.7389 -6.42916 -19.6881 -46.434 41.7622 -43.7599 36.9253 TIMING: 959400 CPU: 3031.39, 0.00316635/step Wall: 3031.39, 0.00316635/step, 3.55388 hours remaining, 231.640625 MB of memory in use. ENERGY: 959400 3971.7497 20645.7597 14505.2354 257.5739 -202836.7312 2466.0388 0.0000 0.0000 51923.0133 -109067.3604 298.4023 -160990.3737 -108708.3801 299.3251 -64.2880 -40.1470 763323.7981 20.7724 20.8074 PRESSURE: 959600 196.926 143.098 40.507 143.099 -165.157 102.592 40.5061 102.593 172.019 GPRESSURE: 959600 246.298 81.2627 -32.3524 115.467 -151.884 212.074 2.21428 127.296 191.242 PRESSAVG: 959600 -4.95675 32.5873 22.9464 32.5873 -4.37712 1.143 22.9464 1.14301 15.1058 GPRESSAVG: 959600 -3.92439 30.6864 20.7555 31.9095 -6.07696 0.0184649 23.3823 1.73712 15.6496 TIMING: 959600 CPU: 3032.02, 0.00315786/step Wall: 3032.02, 0.00315786/step, 3.54417 hours remaining, 231.640625 MB of memory in use. ENERGY: 959600 3978.8211 20627.3521 14411.6878 250.2333 -203354.8004 2663.1068 0.0000 0.0000 52062.4503 -109361.1489 299.2036 -161423.5992 -109000.6138 299.5194 67.9295 95.2187 760647.2403 1.9240 1.8827 PRESSURE: 959800 -29.6343 97.3421 217.821 97.3427 -191.122 -4.08388 217.821 -4.08426 -191.392 GPRESSURE: 959800 32.9336 1.94663 215.341 111.476 -133.309 32.2554 82.306 10.2842 -233.123 PRESSAVG: 959800 51.9627 29.2508 20.9279 29.2508 -9.52649 19.3797 20.9279 19.3797 -21.0006 GPRESSAVG: 959800 51.9623 29.3366 21.8323 29.2183 -6.72332 19.3818 20.331 19.4971 -23.8065 TIMING: 959800 CPU: 3032.64, 0.00313441/step Wall: 3032.64, 0.00313441/step, 3.51768 hours remaining, 231.640625 MB of memory in use. ENERGY: 959800 3998.4591 20546.3290 14501.1718 254.7282 -203108.6144 2443.1729 0.0000 0.0000 52115.7468 -109249.0067 299.5099 -161364.7534 -108895.4631 299.4945 -137.3826 -111.1662 761120.9262 7.1452 7.1442 PRESSURE: 960000 -202.213 41.3854 -138.833 41.3857 -222.312 -88.4058 -138.833 -88.4065 -148.169 GPRESSURE: 960000 -163.223 109.512 -116.364 160.78 -194.382 -22.6685 -184.469 21.2568 -121.898 PRESSAVG: 960000 16.0769 7.8588 37.4981 7.85883 26.2301 8.63923 37.4981 8.63923 -0.984001 GPRESSAVG: 960000 14.9075 7.03369 38.1498 6.5897 24.5317 9.25734 38.5943 8.41159 1.47234 TIMING: 960000 CPU: 3033.27, 0.00315032/step Wall: 3033.27, 0.00315032/step, 3.53536 hours remaining, 231.640625 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: 960000 3964.1260 20458.1799 14548.7236 261.6395 -203015.5962 2515.1448 0.0000 0.0000 52101.7646 -109166.0178 299.4296 -161267.7823 -108810.8017 299.6229 -190.8981 -159.8342 761581.5238 13.7744 13.6372 PRESSURE: 960200 63.3382 -12.9244 176.295 -12.9243 -163.407 166.055 176.295 166.055 -270.331 GPRESSURE: 960200 136.284 -62.1559 171.259 14.8428 -87.7103 144.071 230.109 0.788895 -327.161 PRESSAVG: 960200 5.79494 3.73435 46.8322 3.73431 31.7962 -12.45 46.8322 -12.45 6.171 GPRESSAVG: 960200 6.19338 4.89314 46.1782 6.38566 31.1433 -11.4153 45.7079 -12.4625 5.45962 TIMING: 960200 CPU: 3033.91, 0.00317103/step Wall: 3033.91, 0.00317103/step, 3.55843 hours remaining, 231.640625 MB of memory in use. ENERGY: 960200 4082.5368 20304.9156 14430.7670 254.0545 -203151.7981 2668.3652 0.0000 0.0000 52297.6195 -109113.5396 300.5551 -161411.1591 -108748.0624 299.5703 -123.4665 -92.8627 764049.8635 14.5874 14.2654 LDB: ============= START OF LOAD BALANCING ============== 3046.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3046.44 LDB: =============== DONE WITH MIGRATION ================ 3046.44 LDB: ============= START OF LOAD BALANCING ============== 3046.76 LDB: Largest compute 7078 load 0.030866 is 15.8% of average load 0.195396 LDB: Average compute 0.004370 is 2.2% of average load 0.195396 LDB: TIME 3046.76 LOAD: AVG 0.195396 MAX 0.213916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.949 MB LDB: TIME 3046.76 LOAD: AVG 0.195396 MAX 0.213916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 3046.76 LOAD: AVG 0.195396 MAX 0.213916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 3046.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3046.77 PRESSURE: 960400 342.58 462.364 49.9806 462.365 112.211 142.905 49.9806 142.906 380.052 GPRESSURE: 960400 468.833 378.473 51.028 333.102 79.1804 119.459 60.4135 133.882 383.15 PRESSAVG: 960400 -11.649 37.2921 -13.427 37.2921 9.00773 -66.9719 -13.427 -66.9718 -0.0962368 GPRESSAVG: 960400 -10.6289 37.1373 -11.1991 35.7606 9.32779 -69.7381 -13.087 -67.3005 -1.38337 TIMING: 960400 CPU: 3034.55, 0.00321726/step Wall: 3034.55, 0.00321726/step, 3.61013 hours remaining, 234.417969 MB of memory in use. ENERGY: 960400 3949.7397 20371.2845 14496.4748 259.1919 -203413.7080 2895.7890 0.0000 0.0000 52154.0936 -109287.1345 299.7303 -161441.2281 -108925.3072 298.9389 278.2807 310.3878 762057.3332 -0.9125 -0.8948 PRESSURE: 960600 145.832 -212.924 -29.539 -212.924 -194.621 157.354 -29.5386 157.353 -78.2764 GPRESSURE: 960600 95.9202 -224.073 -58.2464 -182.404 -80.4407 256.32 0.61744 43.5513 -63.9747 PRESSAVG: 960600 42.498 28.2854 -33.4036 28.2853 -50.5344 15.1715 -33.4036 15.1714 -0.212107 GPRESSAVG: 960600 41.1614 28.5967 -35.3266 28.1012 -49.8449 16.0237 -32.5339 15.957 0.561332 TIMING: 960600 CPU: 3035.19, 0.00317044/step Wall: 3035.19, 0.00317044/step, 3.55741 hours remaining, 234.417969 MB of memory in use. ENERGY: 960600 3986.7100 20534.8288 14482.4423 235.3120 -203263.3391 2743.8599 0.0000 0.0000 52392.3942 -108887.7919 301.0998 -161280.1862 -108518.5480 299.6648 -42.3553 -16.1651 763894.9692 -2.7495 -2.7074 PRESSURE: 960800 390.052 -68.7259 -42.463 -68.7267 6.57756 -8.95821 -42.4626 -8.9578 -169.262 GPRESSURE: 960800 429.702 10.3467 -45.4036 -63.5304 -46.9716 -0.593051 -55.8073 -15.4509 -71.8659 PRESSAVG: 960800 34.7207 15.2718 54.1789 15.2718 1.6491 -13.8587 54.1788 -13.8586 6.19282 GPRESSAVG: 960800 36.2577 13.3612 53.2025 18.3255 2.03554 -13.8131 54.4742 -13.7916 4.89431 TIMING: 960800 CPU: 3035.81, 0.00314566/step Wall: 3035.81, 0.00314566/step, 3.52943 hours remaining, 234.417969 MB of memory in use. ENERGY: 960800 3965.6287 20386.5450 14510.0400 252.7886 -203303.2555 2942.8757 0.0000 0.0000 52273.9537 -108971.4237 300.4191 -161245.3774 -108597.9616 299.9390 75.7892 103.6214 763509.1865 14.1875 14.3958 PRESSURE: 961000 -164.642 -249.046 24.3918 -249.047 125.008 91.5111 24.3925 91.512 185.618 GPRESSURE: 961000 -139.891 -228.805 18.7358 -90.2998 195.983 144.538 51.6866 -12.7103 178.943 PRESSAVG: 961000 30.636 -10.1505 49.045 -10.1505 -35.2105 -11.7287 49.045 -11.7288 -5.52384 GPRESSAVG: 961000 29.9465 -9.67802 50.8518 -10.1488 -35.8245 -9.87081 46.6031 -11.8687 -3.94993 TIMING: 961000 CPU: 3036.45, 0.00315356/step Wall: 3036.45, 0.00315356/step, 3.53812 hours remaining, 234.417969 MB of memory in use. ENERGY: 961000 3954.9160 20451.3519 14462.2901 241.4753 -203407.3911 2996.4008 0.0000 0.0000 52161.6232 -109139.3337 299.7736 -161300.9569 -108774.0466 299.6734 48.6613 78.3448 761807.4631 -3.3661 -3.2760 PRESSURE: 961200 342.664 -177.285 -12.5361 -177.286 224.507 -107.164 -12.5361 -107.164 153.053 GPRESSURE: 961200 368.04 -119.484 37.0589 -248.095 270.09 -101.723 -17.5448 -17.3626 175.971 PRESSAVG: 961200 48.2588 8.05564 -2.66649 8.0556 -27.565 4.65836 -2.66653 4.65833 -4.25259 GPRESSAVG: 961200 47.7881 9.23163 -2.75327 7.58062 -27.7554 3.49716 -1.09285 3.49488 -4.31269 TIMING: 961200 CPU: 3037.07, 0.00313964/step Wall: 3037.07, 0.00313964/step, 3.52233 hours remaining, 234.417969 MB of memory in use. ENERGY: 961200 3887.0517 20495.8032 14539.6664 238.1201 -203228.2534 2814.5447 0.0000 0.0000 52079.0645 -109174.0028 299.2991 -161253.0673 -108813.9836 299.3780 240.0746 271.3668 763692.1168 5.4804 5.2400 PRESSURE: 961400 -104.518 103.336 -68.0785 103.336 -133.497 -89.3767 -68.078 -89.3769 24.4204 GPRESSURE: 961400 -45.3787 68.4354 -91.0387 100.658 -80.5224 -22.8076 -185.572 -39.7446 -15.7491 PRESSAVG: 961400 14.5372 21.8255 -24.2601 21.8256 -8.35447 22.985 -24.2601 22.985 15.418 GPRESSAVG: 961400 14.6367 21.5654 -24.0457 20.4834 -8.16676 22.9242 -22.4564 24.13 14.4086 TIMING: 961400 CPU: 3037.7, 0.00314129/step Wall: 3037.7, 0.00314128/step, 3.524 hours remaining, 234.417969 MB of memory in use. ENERGY: 961400 3911.9508 20377.2355 14491.5135 248.3042 -203332.4284 2736.5134 0.0000 0.0000 52088.5339 -109478.3771 299.3535 -161566.9110 -109110.1953 299.2780 -71.1981 -47.2167 765850.9651 7.2003 6.9595 PRESSURE: 961600 -390.531 34.2243 -210.455 34.225 -5.15809 -85.8223 -210.455 -85.8219 121.048 GPRESSURE: 961600 -297.239 29.3195 -246.255 158.15 -22.4328 -106.945 -199.464 -41.1275 107.431 PRESSAVG: 961600 -28.8158 19.606 -39.994 19.6061 8.61166 -27.7914 -39.994 -27.7914 7.29469 GPRESSAVG: 961600 -29.2806 18.9627 -41.3356 20.6606 8.14106 -27.4294 -41.3372 -26.3332 8.11211 TIMING: 961600 CPU: 3038.33, 0.00314145/step Wall: 3038.33, 0.00314145/step, 3.52401 hours remaining, 234.417969 MB of memory in use. ENERGY: 961600 4053.1131 20418.1521 14504.6733 268.1772 -203333.8600 2866.8739 0.0000 0.0000 51805.9960 -109416.8744 297.7298 -161222.8704 -109064.7751 298.5712 -91.5472 -70.7471 764900.3173 -4.3032 -4.3425 PRESSURE: 961800 -235.991 -21.7628 29.5272 -21.7629 -30.4822 -95.8066 29.5268 -95.807 -225.371 GPRESSURE: 961800 -184.717 32.7735 41.32 -53.9554 -32.3962 -46.5526 47.5431 -147.239 -192.868 PRESSAVG: 961800 -3.44814 -4.06357 -31.2664 -4.0636 4.62393 -2.41682 -31.2664 -2.41678 5.78418 GPRESSAVG: 961800 -2.50082 -5.0257 -29.9365 -5.19949 3.97655 -2.10229 -31.7714 -3.92665 5.65791 TIMING: 961800 CPU: 3038.96, 0.0031317/step Wall: 3038.96, 0.0031317/step, 3.51289 hours remaining, 234.417969 MB of memory in use. ENERGY: 961800 3963.0806 20411.3657 14452.5511 240.7586 -203187.2586 2527.5900 0.0000 0.0000 51873.6506 -109718.2620 298.1186 -161591.9126 -109366.0541 298.6230 -163.9483 -136.6603 762670.8123 2.3200 2.3779 PRESSURE: 962000 -403.522 -34.7729 -104.486 -34.7725 155.834 169.932 -104.486 169.932 -62.6491 GPRESSURE: 962000 -379.683 -13.1946 -46.0038 31.6364 161.463 257.883 -176.453 65.7558 21.8346 PRESSAVG: 962000 -9.74783 36.925 -9.45244 36.9251 46.3506 -20.8517 -9.45247 -20.8518 9.65023 GPRESSAVG: 962000 -10.002 36.183 -11.4237 39.389 47.749 -19.713 -8.77876 -22.1235 9.01346 TIMING: 962000 CPU: 3039.58, 0.00311775/step Wall: 3039.58, 0.00311775/step, 3.49707 hours remaining, 234.417969 MB of memory 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 3924.2958 20592.0798 14358.9903 248.8091 -203319.5890 2663.1380 0.0000 0.0000 51955.8953 -109576.3805 298.5912 -161532.2759 -109218.6888 298.3251 -103.4455 -65.4620 760348.2185 15.4177 15.5868 PRESSURE: 962200 -141.647 3.38566 54.6011 3.386 -62.8614 -90.4163 54.6004 -90.4179 128.015 GPRESSURE: 962200 -5.6186 37.6968 82.6214 93.1265 -68.7531 -83.1776 161.753 -132.632 83.9088 PRESSAVG: 962200 -49.0249 -13.1333 -21.4839 -13.1334 60.9689 -3.03315 -21.4839 -3.03311 0.408911 GPRESSAVG: 962200 -48.8669 -11.5539 -20.4423 -15.0051 61.0644 -5.9457 -20.5706 0.104198 0.279355 TIMING: 962200 CPU: 3040.21, 0.00315036/step Wall: 3040.21, 0.00315036/step, 3.53347 hours remaining, 234.417969 MB of memory in use. ENERGY: 962200 3981.7355 20372.8398 14449.6717 239.1199 -203614.2809 2630.5021 0.0000 0.0000 52378.6302 -109561.7818 301.0207 -161940.4120 -109193.3363 298.7642 -25.4979 3.1790 758799.6432 4.1176 4.1590 PRESSURE: 962400 -133.511 52.2217 83.0361 52.2219 50.4627 181.338 83.0364 181.338 139.607 GPRESSURE: 962400 -96.438 17.789 58.6317 203.499 106.259 208.087 84.7333 249.577 145.233 PRESSAVG: 962400 -26.9126 -6.66819 8.74096 -6.66819 4.41293 58.8927 8.74091 58.8928 -21.9613 GPRESSAVG: 962400 -27.8158 -6.81177 9.24234 -5.86571 3.26349 60.7176 7.98564 59.2419 -20.4512 TIMING: 962400 CPU: 3040.84, 0.00313345/step Wall: 3040.84, 0.00313345/step, 3.51434 hours remaining, 234.417969 MB of memory in use. ENERGY: 962400 3990.5866 20589.9787 14465.4456 260.6241 -203119.8936 2432.6353 0.0000 0.0000 51673.4977 -109707.1256 296.9683 -161380.6233 -109348.3264 298.5578 18.8531 51.6849 759891.0963 -14.8203 -15.0012 PRESSURE: 962600 -69.8447 27.977 67.3916 27.9765 -195.046 41.3308 67.3921 41.3311 134.232 GPRESSURE: 962600 39.0451 55.0391 -43.8901 4.03955 -256.035 12.3424 96.1108 41.8325 172.714 PRESSAVG: 962600 -5.84422 31.9141 -80.968 31.9141 -35.3724 40.155 -80.9679 40.1551 22.3883 GPRESSAVG: 962600 -3.41972 32.7056 -81.5253 31.0842 -37.0534 38.8629 -81.4189 38.5228 21.2564 TIMING: 962600 CPU: 3041.46, 0.00313104/step Wall: 3041.46, 0.00313104/step, 3.51147 hours remaining, 234.417969 MB of memory in use. ENERGY: 962600 3867.2920 20491.0475 14406.3476 254.1521 -203536.1258 2900.2242 0.0000 0.0000 51865.3983 -109751.6642 298.0712 -161617.0624 -109388.4038 298.1180 -43.5530 -14.7584 760506.1136 -6.2761 -6.4056 PRESSURE: 962800 222.95 39.0431 220.172 39.0438 -96.9735 82.8101 220.171 82.8096 -167.773 GPRESSURE: 962800 205.25 -22.5431 172.972 43.8317 -14.382 105.052 69.0796 18.4603 -168.179 PRESSAVG: 962800 15.2084 2.56808 2.23845 2.56803 -33.9535 42.5412 2.23843 42.5412 1.01099 GPRESSAVG: 962800 12.7281 1.52433 3.60944 2.34608 -31.7274 43.8714 0.775166 42.8785 1.80706 TIMING: 962800 CPU: 3042.09, 0.00314753/step Wall: 3042.09, 0.00314753/step, 3.52978 hours remaining, 234.417969 MB of memory in use. ENERGY: 962800 3979.4229 20417.5846 14449.7942 239.8380 -203318.9348 2701.0658 0.0000 0.0000 51962.5869 -109568.6424 298.6297 -161531.2293 -109212.0732 298.1693 -13.9322 7.5627 761909.8402 -5.9114 -5.7307 PRESSURE: 963000 470.077 -13.2569 49.1683 -13.2567 -220.746 -36.3636 49.1687 -36.3638 -96.5064 GPRESSURE: 963000 436.977 -64.9193 125.227 55.5225 -66.3517 -49.0808 31.9847 -101.58 -117.234 PRESSAVG: 963000 27.0787 5.43083 9.03067 5.43083 6.25257 10.4045 9.03071 10.4045 -7.00865 GPRESSAVG: 963000 28.9518 5.18809 8.3299 6.69526 5.927 9.4794 7.85602 10.3703 -8.29002 TIMING: 963000 CPU: 3042.72, 0.00316316/step Wall: 3042.72, 0.00316316/step, 3.54714 hours remaining, 234.417969 MB of memory in use. ENERGY: 963000 4006.3505 20591.1432 14404.3372 255.8061 -203597.0943 2967.8509 0.0000 0.0000 51713.0320 -109658.5745 297.1955 -161371.6065 -109301.5836 298.5262 50.9416 84.4638 760466.8680 8.7742 8.8629 PRESSURE: 963200 218.84 268.556 86.4222 268.555 -0.855252 -26.0868 86.4229 -26.0861 132.027 GPRESSURE: 963200 239.706 248.349 90.8042 245.571 18.6909 -19.6598 12.6376 -106.966 175.373 PRESSAVG: 963200 15.2706 52.7456 -39.4056 52.7456 -14.5979 62.6467 -39.4056 62.6466 -6.22194 GPRESSAVG: 963200 13.6962 53.5477 -40.6634 51.6166 -14.0306 63.1463 -37.1516 63.4543 -5.05827 TIMING: 963200 CPU: 3043.36, 0.00315132/step Wall: 3043.36, 0.00315132/step, 3.53368 hours remaining, 234.417969 MB of memory in use. ENERGY: 963200 3956.8426 20573.3943 14444.8043 246.5730 -203987.6414 3123.1704 0.0000 0.0000 52043.6507 -109599.2061 299.0956 -161642.8569 -109244.6031 298.6522 116.6707 144.5900 760051.2377 -1.8497 -1.7976 PRESSURE: 963400 -78.0471 -95.7804 259.928 -95.78 167.947 -17.1885 259.929 -17.1888 18.2409 GPRESSURE: 963400 -46.913 -50.5119 290.424 -105.065 247.25 -30.5464 279.526 -16.1738 -8.55285 PRESSAVG: 963400 -44.2915 52.0851 6.09095 52.0851 46.5466 42.8145 6.09097 42.8145 -1.33922 GPRESSAVG: 963400 -43.6979 51.4121 6.19409 51.1455 46.098 44.0179 6.93249 41.179 -1.71693 TIMING: 963400 CPU: 3043.98, 0.00313798/step Wall: 3043.98, 0.00313798/step, 3.51855 hours remaining, 234.417969 MB of memory in use. ENERGY: 963400 3990.2990 20524.9357 14536.4428 246.9508 -203289.4630 2548.7146 0.0000 0.0000 51712.9758 -109729.1444 297.1952 -161442.1202 -109367.5068 298.8994 36.0469 63.9280 760376.8921 0.3053 0.2277 PRESSURE: 963600 -191.025 -87.1977 -167.06 -87.1972 -236.49 204.271 -167.06 204.271 -171.221 GPRESSURE: 963600 -202.746 -36.5928 -188.089 -55.1816 -150.425 129.841 -161.294 218.389 -180.763 PRESSAVG: 963600 -31.9565 9.33346 17.2745 9.33343 36.1805 -2.2447 17.2744 -2.2447 24.2263 GPRESSAVG: 963600 -32.0061 11.6761 19.7267 10.2627 36.325 -3.83671 14.525 -1.5275 24.3531 TIMING: 963600 CPU: 3044.61, 0.00314619/step Wall: 3044.61, 0.00314619/step, 3.52757 hours remaining, 234.417969 MB of memory in use. ENERGY: 963600 3938.0170 20401.9294 14429.8118 238.5876 -203448.2790 2587.5874 0.0000 0.0000 51993.3908 -109858.9549 298.8067 -161852.3457 -109487.6154 298.9515 -199.5785 -177.9781 761908.5591 9.4834 9.5573 PRESSURE: 963800 -181.313 -17.2611 35.8415 -17.2616 -8.03889 -173.3 35.8415 -173.299 -52.5873 GPRESSURE: 963800 -100.247 -99.1493 15.8089 -39.3553 53.6473 -81.834 34.0888 -138.513 -112.331 PRESSAVG: 963800 48.1953 8.19732 -16.7114 8.19739 -55.3032 -60.7648 -16.7114 -60.7648 -9.75225 GPRESSAVG: 963800 47.9087 5.80568 -18.4298 8.05426 -55.0496 -58.9199 -13.4454 -61.4979 -10.1975 TIMING: 963800 CPU: 3045.24, 0.00313648/step Wall: 3045.24, 0.00313648/step, 3.51652 hours remaining, 234.417969 MB of memory in use. ENERGY: 963800 3958.2598 20469.8950 14494.7077 258.0276 -203723.7180 2727.5289 0.0000 0.0000 52144.1245 -109671.1746 299.6730 -161815.2991 -109312.0144 298.3704 -80.6465 -52.9771 761757.9220 -5.6201 -5.7795 PRESSURE: 964000 -247.593 -156.054 337.43 -156.054 -73.5979 115.113 337.43 115.113 -431.688 GPRESSURE: 964000 -69.1547 -84.7254 314.737 -54.4958 -145.654 163.529 205.503 -16.3075 -461.139 PRESSAVG: 964000 63.6909 60.6289 3.97216 60.6289 -72.3989 -23.6641 3.97221 -23.6641 -3.06742 GPRESSAVG: 964000 64.5533 60.6569 3.1513 61.3405 -73.7436 -24.1201 2.73904 -24.7207 -2.10335 TIMING: 964000 CPU: 3045.87, 0.00314153/step Wall: 3045.87, 0.00314153/step, 3.52201 hours remaining, 234.417969 MB of memory 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 4059.4493 20570.4365 14493.9935 244.2087 -203304.0858 2566.3630 0.0000 0.0000 51814.3879 -109555.2468 297.7780 -161369.6347 -109194.4363 298.7522 -250.9594 -225.3159 762678.1238 -3.9251 -3.7646 PRESSURE: 964200 70.6298 103.728 -247.115 103.729 223.881 -124.308 -247.116 -124.308 245.808 GPRESSURE: 964200 199.805 41.8011 -226.858 124.869 180.639 -10.6392 -59.0235 -172.511 245.124 PRESSAVG: 964200 -5.31728 19.6472 42.7574 19.6472 7.77515 -9.09903 42.7574 -9.09908 -2.14574 GPRESSAVG: 964200 -4.46119 21.3527 44.5444 18.4761 7.61535 -10.2924 42.6234 -5.94366 -2.79368 TIMING: 964200 CPU: 3046.5, 0.0031459/step Wall: 3046.5, 0.0031459/step, 3.52673 hours remaining, 234.417969 MB of memory in use. ENERGY: 964200 3927.2646 20487.4109 14417.0197 256.5288 -203503.2021 2853.1518 0.0000 0.0000 52058.5408 -109503.2855 299.1811 -161561.8263 -109138.5398 299.3141 180.1064 208.5226 762199.1994 0.1040 0.1202 LDB: ============= START OF LOAD BALANCING ============== 3059.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3059.03 LDB: =============== DONE WITH MIGRATION ================ 3059.03 LDB: ============= START OF LOAD BALANCING ============== 3059.34 LDB: Largest compute 7077 load 0.030924 is 15.8% of average load 0.195339 LDB: Average compute 0.004373 is 2.2% of average load 0.195339 LDB: TIME 3059.35 LOAD: AVG 0.195339 MAX 0.214721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.488 MB LDB: TIME 3059.35 LOAD: AVG 0.195339 MAX 0.214721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 3059.35 LOAD: AVG 0.195339 MAX 0.214721 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 3059.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3059.35 PRESSURE: 964400 146.261 197.661 -123.348 197.662 108.514 156.966 -123.347 156.966 32.3816 GPRESSURE: 964400 251.642 133.459 -141.235 46.6514 135.912 127.029 -28.9779 78.5438 -2.06334 PRESSAVG: 964400 10.8588 63.2179 -45.7689 63.218 19.7313 -11.1731 -45.7688 -11.1731 20.549 GPRESSAVG: 964400 10.019 62.3976 -47.7911 65.251 20.3869 -11.8032 -43.6725 -13.486 20.8176 TIMING: 964400 CPU: 3047.14, 0.0031932/step Wall: 3047.14, 0.0031932/step, 3.57957 hours remaining, 232.222656 MB of memory in use. ENERGY: 964400 3996.2178 20441.0901 14459.8368 231.0977 -203643.5749 2907.7634 0.0000 0.0000 52246.6252 -109360.9439 300.2621 -161607.5691 -108984.3156 299.5185 95.7190 128.4968 761295.8430 17.0464 17.0745 PRESSURE: 964600 -41.8975 124.687 75.5788 124.688 -334.359 100.058 75.5792 100.059 52.5539 GPRESSURE: 964600 -4.24393 179.141 124.232 94.1875 -272.463 77.4668 62.7441 68.8922 45.1927 PRESSAVG: 964600 5.28594 54.2445 -19.4918 54.2444 1.43248 16.7475 -19.4917 16.7474 15.0258 GPRESSAVG: 964600 4.64304 54.0287 -18.6027 53.468 1.8113 18.5188 -22.7705 17.2609 15.0797 TIMING: 964600 CPU: 3047.76, 0.00313693/step Wall: 3047.76, 0.00313693/step, 3.51632 hours remaining, 232.367188 MB of memory in use. ENERGY: 964600 3901.7201 20500.6826 14503.1495 243.9243 -202835.1308 2338.1439 0.0000 0.0000 52219.6230 -109127.8875 300.1069 -161347.5104 -108766.0840 299.7343 -107.9008 -77.1715 761739.0730 7.2481 7.1780 PRESSURE: 964800 -78.556 37.0365 48.8122 37.0369 -438.024 -196.656 48.8126 -196.657 85.236 GPRESSURE: 964800 -2.90451 -4.25649 -19.4319 -3.19572 -394.718 -151.879 68.2345 -254.207 46.0635 PRESSAVG: 964800 -5.93388 58.9586 -62.3784 58.9586 7.02985 18.134 -62.3785 18.1341 -15.8138 GPRESSAVG: 964800 -6.94463 58.6064 -62.0531 58.8175 8.46164 17.9981 -60.2857 18.7716 -16.3227 TIMING: 964800 CPU: 3048.39, 0.00312546/step Wall: 3048.39, 0.00312546/step, 3.50329 hours remaining, 232.367188 MB of memory in use. ENERGY: 964800 4015.4476 20610.6967 14511.0158 256.7185 -203445.7954 2631.5174 0.0000 0.0000 52227.5394 -109192.8599 300.1524 -161420.3993 -108829.3588 299.7585 -143.7813 -117.1865 762568.0017 -4.9060 -4.9352 PRESSURE: 965000 -102.08 -27.2293 152.741 -27.2282 -297.684 127.427 152.741 127.427 -260.731 GPRESSURE: 965000 -59.2756 -121.529 37.1449 -42.178 -191.328 79.8994 132.328 103.734 -307.561 PRESSAVG: 965000 -2.59776 26.3119 -30.4783 26.3119 -16.4877 -27.8684 -30.4783 -27.8685 -0.145409 GPRESSAVG: 965000 -1.0498 27.163 -30.8979 24.8931 -17.7021 -29.4745 -31.0461 -27.0282 -0.217574 TIMING: 965000 CPU: 3049.02, 0.003141/step Wall: 3049.02, 0.003141/step, 3.52054 hours remaining, 232.367188 MB of memory in use. ENERGY: 965000 4028.1807 20542.7106 14525.8272 235.9733 -203291.1410 2523.6716 0.0000 0.0000 52286.2290 -109148.5485 300.4897 -161434.7776 -108788.4292 299.8820 -220.1651 -186.0550 762828.9513 -6.4103 -6.3232 PRESSURE: 965200 450.697 78.2274 -2.19913 78.2275 122.981 55.308 -2.19955 55.3087 -57.0476 GPRESSURE: 965200 419.919 60.0787 -14.1941 48.3673 126.835 59.4905 15.2214 98.2289 43.4065 PRESSAVG: 965200 -5.21834 4.28213 -10.4744 4.28217 0.881308 -27.1854 -10.4744 -27.1855 17.2176 GPRESSAVG: 965200 -6.31241 2.28214 -11.173 7.66935 0.703364 -26.0886 -10.7401 -27.9037 18.2434 TIMING: 965200 CPU: 3049.64, 0.00313844/step Wall: 3049.64, 0.00313844/step, 3.51749 hours remaining, 232.367188 MB of memory in use. ENERGY: 965200 3912.3125 20489.1118 14437.9254 241.7066 -203459.7684 2915.8315 0.0000 0.0000 52235.1813 -109227.6993 300.1963 -161462.8806 -108853.8122 299.8528 172.2100 196.7201 762967.3348 4.2935 4.2115 PRESSURE: 965400 110.179 308.78 8.90456 308.781 -100.243 -113.504 8.90505 -113.505 -165.367 GPRESSURE: 965400 166.928 398.178 21.4231 222.392 -75.7805 -184.636 63.312 -219.926 -166.887 PRESSAVG: 965400 14.8869 10.3629 18.3246 10.3628 -14.9161 -18.1975 18.3246 -18.1975 -39.5954 GPRESSAVG: 965400 15.512 12.7987 19.1656 8.04693 -14.8669 -18.6959 19.2129 -17.6335 -40.7443 TIMING: 965400 CPU: 3050.27, 0.00312824/step Wall: 3050.27, 0.00312824/step, 3.50589 hours remaining, 232.367188 MB of memory in use. ENERGY: 965400 3968.8539 20545.6680 14508.3289 243.9376 -203229.6132 2633.8555 0.0000 0.0000 52187.6379 -109141.3313 299.9231 -161328.9693 -108780.9011 299.6619 -51.8101 -25.2463 764954.3013 -13.2082 -13.3664 PRESSURE: 965600 -390.234 -11.4749 -158.285 -11.4734 -252.276 -115.595 -158.284 -115.595 -342.559 GPRESSURE: 965600 -367.734 -30.8932 -145.242 -68.7383 -216.79 -82.7663 -193.97 53.7779 -317.653 PRESSAVG: 965600 -4.92798 22.44 -31.4293 22.4401 20.0516 -36.1096 -31.4293 -36.1095 -11.2998 GPRESSAVG: 965600 -5.97842 21.4149 -30.9907 22.6742 20.0687 -34.7347 -33.6888 -37.1372 -10.6742 TIMING: 965600 CPU: 3050.9, 0.00314475/step Wall: 3050.9, 0.00314475/step, 3.52422 hours remaining, 232.367188 MB of memory in use. ENERGY: 965600 4003.2675 20463.2325 14501.3298 251.7182 -202928.1952 2466.1446 0.0000 0.0000 52118.3514 -109124.1512 299.5249 -161242.5025 -108756.8969 300.2667 -328.3562 -300.7256 763883.1113 1.2746 1.1387 PRESSURE: 965800 -260.601 -46.9762 15.1912 -46.9759 115.912 220.14 15.1903 220.139 -485.645 GPRESSURE: 965800 -123.266 -135.916 147.395 -54.5076 31.1007 98.869 118.429 214.602 -458.58 PRESSAVG: 965800 -29.5572 45.9639 -11.8996 45.9638 20.9396 -16.4089 -11.8996 -16.4088 1.29198 GPRESSAVG: 965800 -29.0597 45.7716 -10.6319 47.3975 19.9049 -17.3467 -11.0353 -15.4336 1.18508 TIMING: 965800 CPU: 3051.53, 0.0031674/step Wall: 3051.53, 0.0031674/step, 3.54943 hours remaining, 232.367188 MB of memory in use. ENERGY: 965800 4047.0107 20438.5954 14443.9145 241.5959 -203206.8626 2553.3205 0.0000 0.0000 52313.9653 -109168.4604 300.6491 -161482.4257 -108815.8622 299.5363 -210.1116 -183.5816 762169.3975 -2.4419 -2.6565 PRESSURE: 966000 -107.881 -75.6624 9.55502 -75.6635 139.46 -184.82 9.55618 -184.821 -241.345 GPRESSURE: 966000 -88.4125 -69.7385 100.502 -29.9985 122.626 -123.833 -53.7943 -329.867 -133.254 PRESSAVG: 966000 23.2453 33.0537 7.96749 33.0537 -31.3337 -2.98001 7.96755 -2.98012 -0.239476 GPRESSAVG: 966000 24.4187 34.2882 8.35828 30.5254 -31.5146 -2.81441 9.13625 -3.32845 -0.906021 TIMING: 966000 CPU: 3052.16, 0.00313604/step Wall: 3052.16, 0.00313604/step, 3.51411 hours remaining, 232.355469 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: 966000 3975.9290 20395.5365 14400.0287 258.1702 -202840.2087 2550.7111 0.0000 0.0000 51952.0191 -109307.8141 298.5690 -161259.8332 -108953.4550 299.3991 -69.9220 -33.0138 762292.6089 -2.7760 -2.6673 PRESSURE: 966200 140.825 32.7434 -16.4449 32.7443 31.9885 -153.708 -16.4453 -153.707 255.229 GPRESSURE: 966200 135.871 -116.44 -51.7208 38.391 67.3154 -93.5009 54.6815 -128.588 312.602 PRESSAVG: 966200 11.4602 -20.8885 11.2325 -20.8885 -2.09464 -42.3017 11.2325 -42.3017 0.236745 GPRESSAVG: 966200 10.4237 -21.133 10.8716 -21.2182 -1.39287 -43.1814 7.61152 -42.6007 0.364266 TIMING: 966200 CPU: 3052.78, 0.00312785/step Wall: 3052.78, 0.00312785/step, 3.50475 hours remaining, 232.367188 MB of memory in use. ENERGY: 966200 3898.9446 20652.7312 14460.6914 233.3457 -203267.4041 2803.4529 0.0000 0.0000 51876.9997 -109341.2387 298.1378 -161218.2383 -108978.3747 299.5107 142.6809 171.9295 762026.0018 3.2008 3.1317 PRESSURE: 966400 149.443 32.5536 -158.323 32.5529 -28.6011 -140.826 -158.322 -140.825 9.47325 GPRESSURE: 966400 230.922 153.112 -221.551 -82.566 7.97332 -227.972 -83.5454 -76.8026 -8.2241 PRESSAVG: 966400 -25.9019 -27.1683 -9.91652 -27.1683 -36.797 8.62734 -9.91652 8.62745 -0.0969129 GPRESSAVG: 966400 -25.7968 -28.2904 -12.3942 -25.0759 -36.8822 8.8939 -6.98029 6.23434 -0.0313039 TIMING: 966400 CPU: 3053.42, 0.00315451/step Wall: 3053.42, 0.00315451/step, 3.53446 hours remaining, 232.367188 MB of memory in use. ENERGY: 966400 3970.3751 20566.0800 14418.6821 251.1313 -203517.0861 3027.5531 0.0000 0.0000 52271.8368 -109011.4276 300.4070 -161283.2644 -108654.5543 299.8097 43.4383 76.8905 763502.3202 -20.9320 -20.9034 PRESSURE: 966600 -348.801 -44.9122 -135.863 -44.9107 -332.27 -0.945566 -135.862 -0.945684 -562.23 GPRESSURE: 966600 -386.549 44.3105 -135.336 -51.4261 -247.341 84.4668 -87.9299 -9.58156 -540.898 PRESSAVG: 966600 6.67216 45.8351 5.59033 45.8352 -4.2631 -21.7526 5.59033 -21.7526 20.0547 GPRESSAVG: 966600 6.39376 46.8451 7.4608 44.55 -3.02448 -19.0472 6.08523 -20.4995 19.3136 TIMING: 966600 CPU: 3054.04, 0.00314525/step Wall: 3054.04, 0.00314525/step, 3.5239 hours remaining, 232.367188 MB of memory in use. ENERGY: 966600 4047.5178 20594.6115 14433.7543 262.5623 -202663.0646 2095.1588 0.0000 0.0000 52310.2474 -108919.2125 300.6277 -161229.4599 -108546.6411 300.9399 -414.4337 -391.5959 763112.6823 7.4879 7.5610 PRESSURE: 966800 -301.902 -152.847 150.201 -152.847 -68.6004 -102.627 150.202 -102.628 -545.739 GPRESSURE: 966800 -205.894 -210.327 95.9102 -117.854 -119.636 -187.721 102.275 -187.878 -512.364 PRESSAVG: 966800 -45.2507 26.8468 17.7325 26.8467 65.5046 -35.9162 17.7325 -35.9163 15.9925 GPRESSAVG: 966800 -45.6391 26.5793 18.8038 26.8958 65.131 -39.4693 15.3064 -33.5074 16.3522 TIMING: 966800 CPU: 3054.68, 0.00315477/step Wall: 3054.68, 0.00315477/step, 3.5344 hours remaining, 232.367188 MB of memory in use. ENERGY: 966800 4058.3102 20537.1205 14484.4750 257.1982 -203139.6563 2534.6349 0.0000 0.0000 52383.8424 -108884.0751 301.0507 -161267.9175 -108516.3257 300.9935 -305.4138 -279.2979 762810.7224 12.0821 11.9480 PRESSURE: 967000 36.5994 160.782 34.6773 160.781 609.308 -85.344 34.6775 -85.3433 -61.2249 GPRESSURE: 967000 144.588 106.382 27.6307 39.0817 543.994 -60.489 40.8948 -12.417 -33.4804 PRESSAVG: 967000 43.4135 31.5307 -37.4883 31.5306 5.48095 -24.136 -37.4883 -24.1359 3.99846 GPRESSAVG: 967000 43.209 30.7219 -39.5175 31.7947 5.50775 -21.7138 -36.0533 -27.6002 4.26825 TIMING: 967000 CPU: 3055.31, 0.0031689/step Wall: 3055.31, 0.0031689/step, 3.55005 hours remaining, 232.367188 MB of memory in use. ENERGY: 967000 3965.8705 20744.9390 14556.3635 249.7569 -203891.7458 2951.1873 0.0000 0.0000 52344.9597 -109078.6689 300.8272 -161423.6286 -108714.8151 300.4463 194.8943 218.3674 760731.4084 17.6310 17.6617 PRESSURE: 967200 312.949 34.0066 -85.6801 34.0062 -65.2817 -145.573 -85.6806 -145.573 -95.6027 GPRESSURE: 967200 348.202 46.3048 -101.709 -57.7019 31.4269 -70.1922 -110.409 -132.154 -158.491 PRESSAVG: 967200 10.9202 24.7702 72.4964 24.7702 -28.8243 -37.7115 72.4964 -37.7116 19.3844 GPRESSAVG: 967200 11.2191 25.4853 72.7764 24.7462 -29.1638 -37.8716 74.2337 -35.8431 19.2458 TIMING: 967200 CPU: 3055.94, 0.00315943/step Wall: 3055.94, 0.00315943/step, 3.53926 hours remaining, 232.367188 MB of memory in use. ENERGY: 967200 3999.3622 20623.0853 14452.1202 264.9659 -203706.0318 3048.5590 0.0000 0.0000 52305.8502 -109012.0889 300.6024 -161317.9392 -108649.7420 300.6324 50.6881 73.7129 762610.9680 0.4935 0.4337 PRESSURE: 967400 -355.943 -167.599 -214.387 -167.599 -45.6817 79.8495 -214.386 79.849 158.963 GPRESSURE: 967400 -263.473 -94.6453 -88.5261 -106.313 22.6638 222.735 -177.929 192.587 89.9997 PRESSAVG: 967400 57.6404 -7.86878 10.0974 -7.86876 -22.5286 -22.2713 10.0973 -22.2713 6.96789 GPRESSAVG: 967400 58.1459 -5.0911 10.1774 -10.0889 -23.0297 -22.227 7.93591 -22.8469 6.53103 TIMING: 967400 CPU: 3056.57, 0.00316882/step Wall: 3056.57, 0.00316882/step, 3.5496 hours remaining, 232.367188 MB of memory in use. ENERGY: 967400 3987.6871 20629.6633 14503.7919 249.2825 -203174.6542 2576.3065 0.0000 0.0000 52212.2642 -109015.6588 300.0646 -161227.9230 -108657.3620 300.5262 -80.8872 -50.2698 762528.0952 14.0266 13.8824 PRESSURE: 967600 -11.9751 21.2665 203.351 21.2671 -511.848 10.8646 203.352 10.8658 -196.164 GPRESSURE: 967600 14.0091 -2.50986 115.844 -27.9678 -467.149 -1.89996 146.85 -41.0403 -164.134 PRESSAVG: 967600 11.8972 -54.8993 12.0067 -54.8993 -37.0079 0.288278 12.0066 0.288245 14.1577 GPRESSAVG: 967600 12.5174 -57.3257 10.2132 -51.6273 -37.5167 -0.0152565 14.7227 2.48262 13.835 TIMING: 967600 CPU: 3057.21, 0.0031674/step Wall: 3057.21, 0.0031674/step, 3.54784 hours remaining, 232.367188 MB of memory in use. ENERGY: 967600 4050.3437 20678.9852 14432.9654 240.7436 -203733.8444 3153.5295 0.0000 0.0000 52184.3674 -108992.9095 299.9043 -161177.2769 -108627.3237 300.4868 -239.9958 -205.7581 762920.9126 -3.6510 -3.7214 PRESSURE: 967800 -77.1759 258.914 224.441 258.914 -488.847 21.4321 224.442 21.4325 -164.931 GPRESSURE: 967800 30.5541 172.371 202.792 255.731 -469.577 48.385 305.819 -9.97246 -216.557 PRESSAVG: 967800 90.6023 -1.30668 44.9157 -1.3067 -44.315 -12.5597 44.9157 -12.5597 -24.3947 GPRESSAVG: 967800 90.4702 -1.51993 46.9047 -4.28143 -43.5976 -12.0583 40.3141 -14.7401 -25.0391 TIMING: 967800 CPU: 3057.84, 0.00317659/step Wall: 3057.84, 0.00317659/step, 3.55796 hours remaining, 232.367188 MB of memory in use. ENERGY: 967800 4012.3218 20773.6628 14443.8759 258.4448 -203017.7405 2291.0705 0.0000 0.0000 52297.2322 -108941.1323 300.5529 -161238.3645 -108576.0806 300.4256 -243.6510 -218.5265 761813.1573 7.2975 7.2778 PRESSURE: 968000 -506.89 -223.737 5.11823 -223.737 150.578 -119.603 5.11787 -119.603 -103.154 GPRESSURE: 968000 -512.184 -222.025 -27.4752 -140.468 235.376 -112.939 5.79131 -211.121 -96.0201 PRESSAVG: 968000 24.9233 15.4686 25.0342 15.4686 -25.378 -48.0387 25.0343 -48.0387 8.15254 GPRESSAVG: 968000 24.4066 14.9373 23.3975 16.5941 -25.3136 -49.4196 28.1688 -43.9471 8.46011 TIMING: 968000 CPU: 3058.47, 0.00314834/step Wall: 3058.47, 0.00314834/step, 3.52614 hours remaining, 232.367188 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: 968000 4108.8170 20698.4607 14470.3501 256.3001 -203106.9884 2472.3458 0.0000 0.0000 51943.4281 -109157.2866 298.5196 -161100.7147 -108802.3637 300.4659 -153.1554 -124.2760 761761.0321 2.5660 2.5177 PRESSURE: 968200 -240.24 -67.0637 -318.709 -67.0623 54.6545 86.781 -318.708 86.7811 -144.769 GPRESSURE: 968200 -215.435 -98.9015 -372.196 -33.1726 78.1821 1.32113 -347.732 106.239 -135.375 PRESSAVG: 968200 53.4207 43.7021 49.5502 43.7021 -47.1401 -52.7364 49.5502 -52.7364 -28.8646 GPRESSAVG: 968200 52.7191 44.4378 49.6858 43.3033 -47.1993 -52.8671 48.4774 -54.9658 -28.2759 TIMING: 968200 CPU: 3059.1, 0.00315046/step Wall: 3059.1, 0.00315046/step, 3.52834 hours remaining, 232.367188 MB of memory in use. ENERGY: 968200 3997.8494 20566.9733 14425.1823 243.3872 -202794.1163 2522.1849 0.0000 0.0000 51991.7408 -109046.7983 298.7972 -161038.5391 -108681.6563 299.7633 -110.1185 -90.8760 763835.2294 -7.5280 -7.5854 LDB: ============= START OF LOAD BALANCING ============== 3071.64 LDB: ============== END OF LOAD BALANCING =============== 3071.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3071.64 LDB: ============= START OF LOAD BALANCING ============== 3071.96 LDB: Largest compute 7077 load 0.032386 is 16.6% of average load 0.195259 LDB: Average compute 0.004389 is 2.2% of average load 0.195259 LDB: TIME 3071.96 LOAD: AVG 0.195259 MAX 0.215021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.676 MB LDB: TIME 3071.97 LOAD: AVG 0.195259 MAX 0.215021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: TIME 3071.97 LOAD: AVG 0.195259 MAX 0.215021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: ============== END OF LOAD BALANCING =============== 3071.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3071.97 PRESSURE: 968400 -257.26 -30.7073 132.048 -30.7066 69.6135 -177.594 132.049 -177.594 -315.222 GPRESSURE: 968400 -254.054 31.4217 173.366 26.8643 98.2074 -217.188 146.257 -161.153 -264.23 PRESSAVG: 968400 22.0649 18.6144 11.9288 18.6144 -34.4926 -42.7159 11.9289 -42.7159 -21.8667 GPRESSAVG: 968400 23.5571 18.5796 13.3194 18.9276 -35.0124 -41.7971 12.7962 -44.4397 -21.9912 TIMING: 968400 CPU: 3059.76, 0.00326152/step Wall: 3059.76, 0.00326152/step, 3.65254 hours remaining, 234.218750 MB of memory in use. ENERGY: 968400 4034.8015 20569.9575 14455.0107 247.4050 -203554.0447 2707.9301 0.0000 0.0000 52361.3552 -109177.5847 300.9214 -161538.9399 -108817.6669 299.8381 -167.6226 -140.0254 762076.5254 -11.4315 -11.1488 PRESSURE: 968600 25.1804 -22.3632 -224.474 -22.3626 -170.552 -82.5428 -224.474 -82.5431 85.3352 GPRESSURE: 968600 20.4548 -91.8962 -217.42 -58.1286 -139.369 -96.5047 -179.773 20.7062 141.121 PRESSAVG: 968600 -72.4312 -32.5254 35.6042 -32.5255 55.9004 -18.3046 35.6042 -18.3046 10.587 GPRESSAVG: 968600 -73.1061 -31.6413 35.2796 -33.8054 55.5979 -18.4664 32.2339 -17.9927 11.3627 TIMING: 968600 CPU: 3060.39, 0.00317951/step Wall: 3060.39, 0.00317952/step, 3.56053 hours remaining, 234.218750 MB of memory in use. ENERGY: 968600 3994.5959 20441.6159 14449.1489 250.1270 -203193.3941 2541.6687 0.0000 0.0000 52272.1857 -109244.0520 300.4090 -161516.2376 -108874.2703 300.1235 -20.0120 7.4024 762677.0634 -1.9813 -2.0485 PRESSURE: 968800 -248.927 109.031 -7.57597 109.03 190.286 220.924 -7.57652 220.924 -429.988 GPRESSURE: 968800 -154.797 144.876 12.4699 87.9951 115.05 203.308 36.4986 129.302 -378.497 PRESSAVG: 968800 9.86232 44.0774 3.34535 44.0774 -40.8363 -40.6174 3.3453 -40.6174 -15.0625 GPRESSAVG: 968800 9.56134 43.2403 3.3685 45.9118 -40.0504 -40.8939 4.37465 -40.8408 -16.0174 TIMING: 968800 CPU: 3061.03, 0.0032155/step Wall: 3061.03, 0.0032155/step, 3.60064 hours remaining, 234.218750 MB of memory in use. ENERGY: 968800 4047.4333 20691.3275 14461.5751 257.4599 -203370.2450 2679.4177 0.0000 0.0000 52076.7317 -109156.2998 299.2857 -161233.0315 -108799.2906 300.0331 -162.8761 -139.4145 761873.4583 -15.3455 -15.5021 PRESSURE: 969000 -72.9138 107.638 -7.12591 107.637 107.54 -185.47 -7.12485 -185.47 5.39617 GPRESSURE: 969000 26.6099 91.8936 19.6832 60.9129 94.9085 -203.756 -12.4082 -200.764 1.34433 PRESSAVG: 969000 -11.4529 57.8926 -13.1128 57.8926 8.48829 -3.68055 -13.1128 -3.68053 -2.76881 GPRESSAVG: 969000 -12.2839 57.7401 -13.0941 57.8561 9.82877 -3.34745 -12.2334 -4.05726 -3.55747 TIMING: 969000 CPU: 3061.67, 0.00316802/step Wall: 3061.67, 0.00316802/step, 3.5473 hours remaining, 234.218750 MB of memory in use. ENERGY: 969000 4002.8082 20533.3804 14418.5630 245.2117 -203459.9570 2846.3177 0.0000 0.0000 52110.2581 -109303.4178 299.4784 -161413.6759 -108938.3661 299.6574 13.3407 40.9542 763765.8209 -1.9111 -2.0042 PRESSURE: 969200 -196.006 -82.4769 -138.962 -82.4765 60.4328 152.766 -138.962 152.765 -392.927 GPRESSURE: 969200 -189.502 -91.7491 -105.107 -60.8499 102.668 69.9651 -150.754 184.692 -367.063 PRESSAVG: 969200 3.71572 27.9464 -14.5402 27.9464 43.7109 -12.8735 -14.5403 -12.8735 20.6803 GPRESSAVG: 969200 4.50855 29.2447 -14.736 27.4365 42.0195 -12.449 -14.9039 -13.7465 21.3494 TIMING: 969200 CPU: 3062.3, 0.00315324/step Wall: 3062.3, 0.00315324/step, 3.53058 hours remaining, 234.218750 MB of memory in use. ENERGY: 969200 4010.2737 20560.7092 14484.4345 256.2352 -203167.2006 2642.1720 0.0000 0.0000 52108.9368 -109104.4391 299.4708 -161213.3759 -108744.0786 300.3156 -176.1668 -151.2988 763917.1537 22.7023 22.6258 PRESSURE: 969400 -32.5258 30.0049 154.505 30.0051 21.1784 156.209 154.505 156.207 97.5607 GPRESSURE: 969400 21.0755 55.5351 165.452 78.9046 46.1925 150.352 190.23 166.335 106.682 PRESSAVG: 969400 -10.209 -18.5753 -39.2086 -18.5752 -0.670267 -18.8287 -39.2086 -18.8287 -18.7868 GPRESSAVG: 969400 -11.0095 -20.808 -39.7219 -17.5967 -0.438335 -19.7861 -38.544 -16.4881 -18.22 TIMING: 969400 CPU: 3062.93, 0.00314453/step Wall: 3062.93, 0.00314453/step, 3.52065 hours remaining, 234.218750 MB of memory in use. ENERGY: 969400 3885.6052 20412.9477 14475.9486 237.3251 -203599.1257 2841.0604 0.0000 0.0000 52297.4131 -109448.8256 300.5540 -161746.2387 -109071.3798 299.6553 28.7377 57.9832 762406.8276 -9.8887 -9.8893 PRESSURE: 969600 -158.352 117.194 -108.799 117.194 -162.161 -197.558 -108.799 -197.558 -32.4101 GPRESSURE: 969600 -232.464 83.0204 -115.652 41.7259 -70.9677 -196.951 -223.139 -204.138 34.8188 PRESSAVG: 969600 -4.49297 -9.25443 -5.84224 -9.25443 -29.4909 7.68922 -5.8422 7.68927 5.7078 GPRESSAVG: 969600 -5.72586 -8.49101 -5.92733 -8.96566 -28.6533 7.85628 -6.11853 6.63499 6.09618 TIMING: 969600 CPU: 3063.56, 0.0031665/step Wall: 3063.56, 0.0031665/step, 3.54508 hours remaining, 234.218750 MB of memory in use. ENERGY: 969600 3971.7716 20592.3338 14442.2916 250.0068 -203513.2724 2723.8306 0.0000 0.0000 52075.2360 -109457.8020 299.2771 -161533.0381 -109098.2823 299.2682 -117.6411 -89.5375 760858.2941 -9.4253 -9.4276 PRESSURE: 969800 -178.393 -231.709 -39.3771 -231.709 153.565 -123.411 -39.3773 -123.411 -156.719 GPRESSURE: 969800 -45.8629 -203.289 -33.7124 -206.625 112.777 -106.688 -7.82213 -116.837 -160.581 PRESSAVG: 969800 17.9342 -41.4342 3.75799 -41.4342 0.682781 -35.205 3.75807 -35.2049 -41.9918 GPRESSAVG: 969800 20.2207 -40.5068 4.7745 -42.681 0.0522069 -34.0235 2.6029 -35.0263 -43.2146 TIMING: 969800 CPU: 3064.2, 0.00317124/step Wall: 3064.2, 0.00317124/step, 3.5502 hours remaining, 234.218750 MB of memory in use. ENERGY: 969800 4026.3907 20301.1308 14368.8681 235.2565 -203113.9092 2585.2748 0.0000 0.0000 51934.9817 -109662.0065 298.4711 -161596.9882 -109288.7375 299.0103 -60.5156 -31.2221 762600.7904 -7.7916 -7.6472 PRESSURE: 970000 -398.984 -69.7191 -32.432 -69.7203 -66.2571 94.389 -32.4329 94.3887 224.974 GPRESSURE: 970000 -352.858 -145.457 -67.8275 -146.12 -59.311 135.531 -124.322 -15.7719 261.782 PRESSAVG: 970000 2.9744 -51.0028 0.207049 -51.0028 13.602 -33.0311 0.207038 -33.0312 -2.66407 GPRESSAVG: 970000 1.13554 -51.0758 -0.567694 -51.3177 14.2734 -33.7664 0.865707 -32.3661 -1.53809 TIMING: 970000 CPU: 3064.83, 0.00317858/step Wall: 3064.83, 0.00317858/step, 3.55825 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: 970000 3959.9823 20571.3190 14395.8214 268.4619 -203451.5353 2639.4394 0.0000 0.0000 51793.3049 -109823.2064 297.6568 -161616.5112 -109461.7512 298.8037 -80.0890 -50.1288 761645.6604 4.6374 4.6236 PRESSURE: 970200 -363.178 229.042 -216.111 229.042 188.638 -216.413 -216.111 -216.413 -109.938 GPRESSURE: 970200 -287.908 215.195 -31.3228 224.463 199.348 -250.71 -248.317 -32.1871 -109.699 PRESSAVG: 970200 -51.2512 14.3198 -29.2758 14.3197 55.3952 -39.7881 -29.2758 -39.7881 2.85024 GPRESSAVG: 970200 -50.1245 14.7427 -29.326 12.1983 54.7848 -41.3421 -28.7673 -41.0571 2.02055 TIMING: 970200 CPU: 3065.47, 0.00318323/step Wall: 3065.47, 0.00318323/step, 3.56327 hours remaining, 234.218750 MB of memory in use. ENERGY: 970200 3922.9292 20724.0450 14417.8776 244.0766 -203489.5284 2506.6162 0.0000 0.0000 51757.5072 -109916.4766 297.4511 -161673.9838 -109563.8965 298.1684 -94.8257 -66.0861 761031.5184 2.3314 2.2270 PRESSURE: 970400 -319.148 120.64 -50.7034 120.641 73.3259 45.6666 -50.7044 45.6667 33.6667 GPRESSURE: 970400 -280.829 179.353 -111.439 53.4578 100.876 25.6788 109.909 54.1117 59.3677 PRESSAVG: 970400 -51.8202 12.2529 -3.94687 12.2529 12.4623 -46.9305 -3.94689 -46.9304 -2.291 GPRESSAVG: 970400 -51.9133 12.9121 -3.49388 13.2141 12.9574 -45.8609 -2.77558 -45.5652 -2.21403 TIMING: 970400 CPU: 3066.1, 0.0031706/step Wall: 3066.1, 0.0031706/step, 3.54896 hours remaining, 234.218750 MB of memory in use. ENERGY: 970400 3975.5450 20510.4492 14419.0205 262.6693 -203691.8353 2656.9017 0.0000 0.0000 51917.1127 -109950.1369 298.3684 -161867.2496 -109582.6553 298.1308 -70.7185 -40.1951 761690.2788 -13.8830 -13.7233 PRESSURE: 970600 53.8396 -254.036 178.881 -254.037 50.3235 -19.6417 178.882 -19.6416 -271.623 GPRESSURE: 970600 93.8503 -170.474 193.11 -167.542 14.4833 -60.1693 129.702 62.9299 -199.637 PRESSAVG: 970600 -14.778 25.2543 5.12908 25.2542 20.1125 -21.4299 5.12911 -21.4299 -8.6462 GPRESSAVG: 970600 -15.1024 23.6382 6.20971 28.279 20.9815 -20.7238 2.92208 -22.2157 -9.39376 TIMING: 970600 CPU: 3066.74, 0.00317535/step Wall: 3066.74, 0.00317535/step, 3.5541 hours remaining, 234.218750 MB of memory in use. ENERGY: 970600 3989.1512 20539.2499 14426.5659 255.7361 -203858.2831 2795.6208 0.0000 0.0000 52078.0457 -109773.9135 299.2932 -161851.9591 -109407.2303 298.7860 -55.8199 -30.4345 760461.4115 -1.1039 -1.1716 PRESSURE: 970800 -620.791 -152.739 276.374 -152.739 -78.4015 281.135 276.373 281.135 -220.512 GPRESSURE: 970800 -477.954 -216.552 211.769 -216.609 -166.447 262.866 260.035 211.953 -195.199 PRESSAVG: 970800 -22.0883 31.693 51.6159 31.693 48.9442 -2.03202 51.616 -2.03211 -11.7051 GPRESSAVG: 970800 -21.0358 32.7093 51.1205 26.9789 46.8742 -3.43063 51.3026 -1.34157 -10.3098 TIMING: 970800 CPU: 3067.37, 0.00317191/step Wall: 3067.37, 0.00317191/step, 3.55008 hours remaining, 234.218750 MB of memory in use. ENERGY: 970800 4008.9376 20523.7425 14439.3627 239.3293 -203429.5757 2427.5427 0.0000 0.0000 52066.4698 -109724.1910 299.2267 -161790.6608 -109359.9661 298.8014 -306.5680 -279.8670 761392.1972 5.0503 5.1762 PRESSURE: 971000 -178.826 61.5358 292.457 61.5354 -98.0371 -10.9958 292.457 -10.9969 364.502 GPRESSURE: 971000 -15.6348 83.6629 222.937 36.5982 -168.645 -43.9586 249.073 46.5049 374.21 PRESSAVG: 971000 15.2971 -0.437488 12.3904 -0.437489 -43.8122 -26.2528 12.3904 -26.2527 6.87698 GPRESSAVG: 971000 15.7962 -2.46273 11.0992 3.1782 -42.3317 -26.2498 10.8128 -27.7497 5.20737 TIMING: 971000 CPU: 3068, 0.00315816/step Wall: 3068, 0.00315816/step, 3.5345 hours remaining, 234.218750 MB of memory in use. ENERGY: 971000 3985.7832 20595.0156 14437.1107 238.5460 -203693.0976 2627.0918 0.0000 0.0000 52036.6743 -109772.8762 299.0555 -161809.5505 -109402.5680 299.0881 29.2128 63.3100 761008.3819 -7.2127 -7.1094 PRESSURE: 971200 299.664 -116.341 -20.0232 -116.342 192.234 -187.99 -20.0238 -187.99 93.4652 GPRESSURE: 971200 273.848 -52.7727 5.84909 -231.366 243.447 -255.307 78.7381 -187.192 147.54 PRESSAVG: 971200 12.6393 -6.04012 -2.74878 -6.04014 33.8944 -107.095 -2.74879 -107.094 7.7004 GPRESSAVG: 971200 10.9196 -5.33046 -1.65393 -6.66489 34.5152 -105.338 0.0592169 -105.019 8.32735 TIMING: 971200 CPU: 3068.64, 0.00317578/step Wall: 3068.64, 0.00317578/step, 3.55405 hours remaining, 234.218750 MB of memory in use. ENERGY: 971200 4010.2048 20414.1617 14506.0390 253.3441 -203546.5514 2693.5952 0.0000 0.0000 52319.7609 -109349.4457 300.6824 -161669.2066 -108992.3189 299.3228 195.1211 221.6114 760490.6503 18.0781 17.9207 PRESSURE: 971400 -95.8181 -100.479 179.847 -100.48 -50.0507 134.163 179.848 134.162 -144.645 GPRESSURE: 971400 -53.3026 8.886 110.553 -87.129 -42.9712 83.4645 19.7838 70.7709 -112.966 PRESSAVG: 971400 -7.93153 20.3611 58.3373 20.3612 -2.06222 -91.9549 58.3373 -91.955 7.91792 GPRESSAVG: 971400 -7.29565 19.9993 57.1057 20.0255 -2.95539 -92.8223 59.7784 -93.1247 7.5402 TIMING: 971400 CPU: 3069.27, 0.00316569/step Wall: 3069.27, 0.00316569/step, 3.54259 hours remaining, 234.218750 MB of memory in use. ENERGY: 971400 4041.5870 20684.4883 14421.7102 235.0623 -203496.1404 2580.1765 0.0000 0.0000 52193.1511 -109339.9650 299.9548 -161533.1161 -108983.0892 300.1551 -96.8380 -69.7465 762490.1346 -0.6919 -0.9036 PRESSURE: 971600 -42.292 -86.6485 52.9591 -86.6482 -148.83 -4.62679 52.9588 -4.62654 -258.4 GPRESSURE: 971600 -18.1159 8.31199 48.8103 1.46611 -72.041 -52.2078 67.4176 -20.8004 -271.645 PRESSAVG: 971600 -11.203 -18.6903 35.3235 -18.6903 22.394 -27.6123 35.3235 -27.6123 -27.6201 GPRESSAVG: 971600 -10.8796 -18.3913 36.3373 -17.9716 21.6299 -28.4784 33.8649 -27.3765 -27.4015 TIMING: 971600 CPU: 3069.9, 0.00316598/step Wall: 3069.9, 0.00316598/step, 3.54273 hours remaining, 234.218750 MB of memory in use. ENERGY: 971600 3907.4142 20519.9133 14486.7320 237.7787 -203080.7582 2494.1601 0.0000 0.0000 52018.7404 -109416.0195 298.9524 -161434.7600 -109055.3843 299.3675 -149.8408 -120.6006 760438.5619 -5.4764 -5.5504 PRESSURE: 971800 16.1442 -48.818 -21.2492 -48.8179 360.633 97.1776 -21.2484 97.1774 33.7411 GPRESSURE: 971800 67.5439 -76.2291 -25.6553 -51.6139 392.743 86.8312 -34.5818 49.7905 29.5176 PRESSAVG: 971800 6.13541 3.60567 -10.7179 3.6057 23.0218 -33.6908 -10.7179 -33.6908 33.509 GPRESSAVG: 971800 5.40587 4.60546 -10.9564 1.3565 23.7752 -33.8006 -10.8278 -35.503 33.2241 TIMING: 971800 CPU: 3070.54, 0.00317398/step Wall: 3070.54, 0.00317398/step, 3.5515 hours remaining, 234.218750 MB of memory in use. ENERGY: 971800 4013.2705 20275.0981 14486.1920 234.2266 -203296.2938 2511.1126 0.0000 0.0000 52259.8328 -109516.5611 300.3380 -161776.3939 -109149.3219 299.4100 136.8394 163.2681 761391.3242 20.8887 20.8017 PRESSURE: 972000 200.035 220.963 -389.648 220.962 85.3343 -51.0505 -389.648 -51.0506 23.3246 GPRESSURE: 972000 256.906 173.258 -381.809 199.46 15.7265 28.6736 -194.584 49.0753 108.646 PRESSAVG: 972000 12.4489 22.4648 32.9754 22.4648 5.25926 34.0652 32.9755 34.0652 9.07143 GPRESSAVG: 972000 13.6824 22.8446 33.233 24.4043 3.83831 35.8204 33.4045 35.4867 9.48474 TIMING: 972000 CPU: 3071.18, 0.00320266/step Wall: 3071.18, 0.00320266/step, 3.58343 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: 972000 4020.4203 20501.7651 14556.9744 256.3915 -203500.6627 2562.1141 0.0000 0.0000 51963.6328 -109639.3644 298.6357 -161602.9972 -109280.4627 298.9535 102.8978 127.0929 759964.1513 8.9265 9.0018 PRESSURE: 972200 81.9172 32.408 223.893 32.4092 -14.0499 54.0376 223.893 54.0367 -452.722 GPRESSURE: 972200 25.5171 53.5524 239.262 89.0134 80.1907 48.3561 269.543 -4.77788 -383.167 PRESSAVG: 972200 16.9848 1.44808 8.60102 1.44806 -59.3865 -45.2731 8.60099 -45.2731 -27.1375 GPRESSAVG: 972200 16.1989 -0.589932 8.51929 0.541536 -57.7002 -45.9779 7.37698 -46.8522 -28.074 TIMING: 972200 CPU: 3071.81, 0.0031671/step Wall: 3071.81, 0.0031671/step, 3.54346 hours remaining, 234.218750 MB of memory in use. ENERGY: 972200 3932.0024 20533.2877 14471.0820 245.7168 -203297.7063 2240.0658 0.0000 0.0000 52015.6080 -109859.9437 298.9344 -161875.5517 -109493.5118 298.5842 -128.2847 -92.4864 759584.2091 -23.1797 -23.1918 LDB: ============= START OF LOAD BALANCING ============== 3084.35 LDB: ============== END OF LOAD BALANCING =============== 3084.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3084.35 LDB: ============= START OF LOAD BALANCING ============== 3084.66 LDB: Largest compute 7077 load 0.031047 is 15.9% of average load 0.195318 LDB: Average compute 0.004373 is 2.2% of average load 0.195318 LDB: TIME 3084.67 LOAD: AVG 0.195318 MAX 0.215952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.512 MB LDB: TIME 3084.67 LOAD: AVG 0.195318 MAX 0.215952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.578 MB LDB: TIME 3084.67 LOAD: AVG 0.195318 MAX 0.215952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.578 MB LDB: ============== END OF LOAD BALANCING =============== 3084.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3084.67 PRESSURE: 972400 -328.161 43.0259 55.0515 43.0253 342.011 -145.969 55.0524 -145.968 -48.7069 GPRESSURE: 972400 -241.936 -77.3128 98.2014 -19.5428 366.151 -163.231 69.4584 -271.562 -50.4853 PRESSAVG: 972400 11.7454 24.97 11.5146 24.97 -0.846061 -63.2509 11.5146 -63.2509 19.5139 GPRESSAVG: 972400 11.7274 24.8364 10.4197 25.75 -2.54618 -64.0756 11.9875 -63.011 20.7753 TIMING: 972400 CPU: 3072.46, 0.00321579/step Wall: 3072.46, 0.00321579/step, 3.59776 hours remaining, 233.062500 MB of memory in use. ENERGY: 972400 3911.6532 20462.0636 14485.0082 224.2453 -203811.3358 2819.1085 0.0000 0.0000 52115.0366 -109794.2205 299.5058 -161909.2571 -109429.5593 298.9461 -11.6192 24.5767 761390.9519 10.1377 9.9855 PRESSURE: 972600 224.319 289.088 30.2077 289.088 -63.7865 62.8009 30.2075 62.8014 -148.627 GPRESSURE: 972600 107.577 186.417 58.9374 166.448 40.2182 65.7701 -70.2456 104.834 -44.0279 PRESSAVG: 972600 -11.1562 41.3159 4.5746 41.3158 22.9389 8.31247 4.57464 8.31238 -4.95622 GPRESSAVG: 972600 -11.3431 41.6486 5.57584 41.4003 23.0944 8.89563 5.15798 7.47883 -5.35698 TIMING: 972600 CPU: 3073.09, 0.00316665/step Wall: 3073.09, 0.00316665/step, 3.54261 hours remaining, 233.062500 MB of memory in use. ENERGY: 972600 4006.6961 20424.5654 14405.9383 258.3242 -203377.4728 2567.3981 0.0000 0.0000 51865.8706 -109848.6802 298.0739 -161714.5508 -109486.4343 298.4541 3.9687 34.5891 762716.5270 2.2755 2.1315 PRESSURE: 972800 -104.291 95.0211 -212.206 95.0212 252.04 136.863 -212.206 136.861 0.587247 GPRESSURE: 972800 -73.1602 156.034 -230.585 81.5249 366 144.408 -188.354 16.6018 -61.1434 PRESSAVG: 972800 -23.6694 -9.83278 -40.1668 -9.83284 50.544 -4.45541 -40.1668 -4.45545 2.50183 GPRESSAVG: 972800 -24.6937 -10.2721 -40.581 -10.2274 51.9116 -4.38202 -41.4215 -4.13815 1.98976 TIMING: 972800 CPU: 3073.72, 0.00317107/step Wall: 3073.72, 0.00317107/step, 3.54738 hours remaining, 233.207031 MB of memory in use. ENERGY: 972800 3939.1494 20416.7707 14469.6024 246.3753 -203225.1577 2615.0741 0.0000 0.0000 51896.3894 -109641.7964 298.2493 -161538.1858 -109280.3243 298.8948 49.4457 77.2320 760713.1051 9.7921 9.7359 PRESSURE: 973000 119.74 134.886 37.213 134.886 -301.377 -121.243 37.2127 -121.243 -230.767 GPRESSURE: 973000 36.1517 11.2073 59.4098 2.26517 -204.495 -241.277 169.439 -142.218 -156.869 PRESSAVG: 973000 -47.8781 -69.5757 -34.5102 -69.5758 65.8086 -38.9241 -34.5103 -38.9241 -23.7318 GPRESSAVG: 973000 -48.5425 -70.0131 -34.6049 -70.0141 65.1676 -40.3905 -32.9922 -36.3097 -22.7536 TIMING: 973000 CPU: 3074.36, 0.00315945/step Wall: 3074.36, 0.00315945/step, 3.53419 hours remaining, 233.207031 MB of memory in use. ENERGY: 973000 3932.7682 20520.7863 14436.2119 249.5936 -202958.0408 2250.8290 0.0000 0.0000 51714.3060 -109853.5457 297.2028 -161567.8517 -109488.8780 298.3227 -137.4679 -108.4041 761328.9373 -1.9338 -2.0428 PRESSURE: 973200 77.2214 148.601 202.046 148.602 153.687 -117.346 202.046 -117.345 79.0626 GPRESSURE: 973200 127.265 181.777 278.049 91.812 219.317 -89.0467 128.971 -140.584 60.3446 PRESSAVG: 973200 52.6729 -37.8214 -10.4441 -37.8213 -81.9634 10.6506 -10.4441 10.6505 1.35188 GPRESSAVG: 973200 53.8648 -37.774 -10.2993 -37.604 -82.2493 10.8614 -12.7845 11.4566 1.38392 TIMING: 973200 CPU: 3074.99, 0.00315695/step Wall: 3074.99, 0.00315695/step, 3.53122 hours remaining, 233.207031 MB of memory in use. ENERGY: 973200 3923.9116 20398.1910 14350.2479 236.0908 -203358.2869 2801.5152 0.0000 0.0000 52038.9060 -109609.4244 299.0683 -161648.3304 -109244.9088 298.2181 103.3238 135.6421 761924.0995 -9.3129 -9.0002 PRESSURE: 973400 -44.1362 132.234 92.3128 132.233 92.675 365.553 92.3127 365.553 -39.9041 GPRESSURE: 973400 -54.2174 152.123 143.805 153.351 83.8559 514.493 190.865 235.286 58.5967 PRESSAVG: 973400 30.3006 58.2119 22.7445 58.2118 -23.1499 15.508 22.7445 15.508 10.2206 GPRESSAVG: 973400 31.3501 60.3036 22.4107 59.1763 -23.8081 16.7807 25.9448 12.1586 9.94815 TIMING: 973400 CPU: 3075.62, 0.00317858/step Wall: 3075.62, 0.00317858/step, 3.55524 hours remaining, 233.207031 MB of memory in use. ENERGY: 973400 3950.6599 20497.6220 14501.1006 243.5627 -202843.5025 2180.6044 0.0000 0.0000 51863.7833 -109606.1696 298.0619 -161469.9530 -109241.7610 298.1721 2.8782 29.4118 761602.2242 5.7904 5.8301 PRESSURE: 973600 -211.056 -1.71526 12.911 -1.71548 -419.346 -28.8756 12.9112 -28.8741 -116.529 GPRESSURE: 973600 -158.926 -16.4927 112.154 1.66131 -353.122 -73.702 -75.6573 -3.0916 -130.919 PRESSAVG: 973600 39.5953 -4.41903 77.6995 -4.419 -45.469 47.2818 77.6995 47.2819 19.4586 GPRESSAVG: 973600 37.908 -2.06854 79.1533 -6.09324 -44.4094 46.6244 74.3928 49.0588 19.7415 TIMING: 973600 CPU: 3076.26, 0.00318573/step Wall: 3076.26, 0.00318573/step, 3.56306 hours remaining, 233.207031 MB of memory in use. ENERGY: 973600 4015.6925 20261.5440 14353.9974 239.9551 -202975.0039 2426.7638 0.0000 0.0000 51986.9238 -109690.1273 298.7696 -161677.0511 -109312.3063 298.2872 -248.9768 -214.3221 762408.7705 4.5283 4.4134 PRESSURE: 973800 -247.074 -249.306 -54.7227 -249.305 -105.951 53.9002 -54.7229 53.8996 388.207 GPRESSURE: 973800 -218.174 -221.984 -81.296 -168.079 -15.8804 -2.89448 61.418 -24.7213 343.319 PRESSAVG: 973800 -11.6431 -10.8075 13.1075 -10.8075 -10.1448 -19.3107 13.1075 -19.3108 -0.955522 GPRESSAVG: 973800 -10.3809 -15.535 12.9241 -9.03664 -9.59777 -19.6812 13.8944 -19.2441 -2.7276 TIMING: 973800 CPU: 3076.9, 0.00317591/step Wall: 3076.9, 0.00317591/step, 3.5519 hours remaining, 233.207031 MB of memory in use. ENERGY: 973800 3993.7238 20399.7742 14605.1812 237.8084 -203128.6626 2437.8024 0.0000 0.0000 51912.1929 -109542.1796 298.3401 -161454.3726 -109183.9678 298.4088 11.7277 36.4217 762043.5600 -7.5811 -7.5688 PRESSURE: 974000 526.116 130.246 220.541 130.248 65.3583 53.1676 220.541 53.1673 -509.793 GPRESSURE: 974000 527.35 231.149 205.533 133.902 122.009 79.5861 185.261 -17.3262 -453.833 PRESSAVG: 974000 16.195 -17.088 49.3705 -17.088 -19.9979 -48.5034 49.3705 -48.5033 -16.1298 GPRESSAVG: 974000 15.2879 -14.2569 48.5934 -16.7503 -20.769 -47.9363 51.5413 -48.3119 -15.1992 TIMING: 974000 CPU: 3077.53, 0.00318198/step Wall: 3077.53, 0.00318198/step, 3.55852 hours remaining, 233.207031 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: 974000 4014.9900 20495.1600 14441.8263 249.7458 -203330.7419 2681.1816 0.0000 0.0000 51890.3423 -109557.4958 298.2145 -161447.8381 -109200.6294 299.0082 27.2270 65.1752 761317.7268 -6.6442 -6.8934 PRESSURE: 974200 227.001 -9.12526 71.3769 -9.1254 -222.811 164.992 71.3761 164.991 -89.6197 GPRESSURE: 974200 240.614 -56.4231 -16.5833 97.0913 -115.46 145.826 -32.2862 129.401 -124.393 PRESSAVG: 974200 7.89415 -1.22464 28.5081 -1.22464 16.0894 0.412818 28.5081 0.412789 12.6353 GPRESSAVG: 974200 8.32674 -1.96679 29.0431 -2.05253 15.5072 0.87713 25.3615 0.138821 12.1839 TIMING: 974200 CPU: 3078.17, 0.0031667/step Wall: 3078.17, 0.0031667/step, 3.54125 hours remaining, 233.207031 MB of memory in use. ENERGY: 974200 3930.6052 20409.9219 14494.4795 246.4917 -203318.8916 2545.9387 0.0000 0.0000 52114.0396 -109577.4150 299.5001 -161691.4546 -109212.8825 298.4920 -28.4766 0.2538 762088.6623 12.2063 12.0059 PRESSURE: 974400 -42.9861 -94.0708 -106.543 -94.0699 374.213 14.6454 -106.543 14.6475 -46.9084 GPRESSURE: 974400 3.05688 -79.9116 -75.4384 23.413 367.461 22.5791 -35.1869 -22.6193 8.91303 PRESSAVG: 974400 -1.4449 23.5622 32.4499 23.5622 -6.07695 3.66596 32.4499 3.66595 -8.48333 GPRESSAVG: 974400 -1.01708 23.5698 33.125 23.9362 -6.07269 3.61015 32.9873 4.38789 -8.36333 TIMING: 974400 CPU: 3078.79, 0.00313147/step Wall: 3078.79, 0.00313147/step, 3.50168 hours remaining, 233.207031 MB of memory in use. ENERGY: 974400 3967.7651 20456.0964 14396.3192 232.1511 -203059.2893 2564.8401 0.0000 0.0000 52114.1897 -109327.9278 299.5010 -161442.1175 -108980.5963 298.6556 94.7730 126.4771 761824.5982 -5.3351 -5.1510 PRESSURE: 974600 -14.6939 207.404 -152.625 207.403 89.4316 -8.09279 -152.624 -8.0925 -382.961 GPRESSURE: 974600 61.835 125.006 -161.371 282.793 114.643 -69.6872 -157.398 -49.221 -376.366 PRESSAVG: 974600 0.0381146 -29.5285 25.3293 -29.5284 4.97281 25.1593 25.3293 25.1592 -15.244 GPRESSAVG: 974600 0.490685 -29.6876 25.7806 -28.4482 4.1372 24.2296 26.3447 23.6198 -15.1158 TIMING: 974600 CPU: 3079.43, 0.00317906/step Wall: 3079.43, 0.00317906/step, 3.55472 hours remaining, 233.207031 MB of memory in use. ENERGY: 974600 3945.2590 20362.7413 14475.2940 228.0918 -203016.0076 2409.3623 0.0000 0.0000 51964.5441 -109630.7150 298.6409 -161595.2591 -109264.2375 298.9678 -102.7411 -66.6295 759521.1975 -3.4110 -3.4960 PRESSURE: 974800 119.522 9.30476 -73.5536 9.30496 -163.513 -29.3907 -73.5524 -29.3899 201.565 GPRESSURE: 974800 105.258 -37.1757 53.7126 101.28 -88.9625 -11.1658 -45.6938 -46.3358 229.118 PRESSAVG: 974800 41.4188 -22.0509 61.2461 -22.051 -15.1875 41.8298 61.2461 41.8297 1.93531 GPRESSAVG: 974800 40.9761 -22.5341 62.3573 -23.4119 -14.5868 42.0752 59.8064 40.411 2.18098 TIMING: 974800 CPU: 3080.06, 0.00314436/step Wall: 3080.06, 0.00314436/step, 3.51575 hours remaining, 233.207031 MB of memory in use. ENERGY: 974800 3942.3248 20255.6943 14574.3257 260.1682 -203209.5328 2367.4816 0.0000 0.0000 52259.9117 -109549.6263 300.3384 -161809.5381 -109190.3256 298.5162 52.5246 81.8047 760636.3799 9.3889 9.5234 PRESSURE: 975000 -83.4191 -151.071 -78.1115 -151.071 -62.1199 -98.8357 -78.1121 -98.8348 159.212 GPRESSURE: 975000 -74.3633 -186.875 -77.8181 -228.921 -112.57 -57.2155 17.5652 -124.755 275.887 PRESSAVG: 975000 -17.8879 -6.13115 -3.22011 -6.13114 26.2145 14.5552 -3.22011 14.5551 7.23933 GPRESSAVG: 975000 -18.1362 -4.90423 -5.93505 -4.80475 26.5854 14.2646 -0.946995 16.7029 7.11261 TIMING: 975000 CPU: 3080.69, 0.0031566/step Wall: 3080.69, 0.0031566/step, 3.52925 hours remaining, 233.207031 MB of memory in use. ENERGY: 975000 3975.5804 20592.1219 14468.8222 246.0057 -203357.9492 2716.6320 0.0000 0.0000 51937.8827 -109420.9043 298.4877 -161358.7870 -109059.1434 298.7684 4.5578 29.6514 759391.2449 5.1886 5.1873 PRESSURE: 975200 -74.4874 -65.9188 125.918 -65.9184 -23.5504 -34.2239 125.919 -34.2241 249.796 GPRESSURE: 975200 -8.96502 -44.3933 123.956 -121.272 18.899 -65.9427 133.673 1.99994 229.201 PRESSAVG: 975200 -11.1504 -10.1986 28.6274 -10.1987 28.8581 12.9838 28.6274 12.9839 11.4115 GPRESSAVG: 975200 -10.3205 -10.7822 29.4436 -13.2655 28.5209 13.6719 26.7944 12.9216 11.0319 TIMING: 975200 CPU: 3081.32, 0.00315938/step Wall: 3081.32, 0.00315938/step, 3.53218 hours remaining, 233.207031 MB of memory in use. ENERGY: 975200 4006.4368 20560.9281 14459.5218 259.1714 -203032.4969 2659.7545 0.0000 0.0000 51956.5415 -109130.1427 298.5950 -161086.6842 -108771.4477 299.8162 50.5862 79.7118 761025.2201 9.7064 9.7441 PRESSURE: 975400 6.87542 191.891 279.234 191.892 93.7174 -129.31 279.235 -129.31 194.771 GPRESSURE: 975400 -26.5957 202.543 305.712 160.769 159.801 -179.174 321.438 -93.0911 251.647 PRESSAVG: 975400 2.95573 -9.55852 57.5824 -9.55851 4.6983 -89.2351 57.5824 -89.2351 -2.51915 GPRESSAVG: 975400 2.63776 -10.1866 57.3453 -6.50667 4.44101 -89.6767 57.1586 -89.4275 -2.26303 TIMING: 975400 CPU: 3081.95, 0.00314516/step Wall: 3081.95, 0.00314516/step, 3.51612 hours remaining, 233.207031 MB of memory in use. ENERGY: 975400 3915.5302 20464.7753 14490.2418 246.8465 -202991.7533 2547.5591 0.0000 0.0000 52218.9004 -109107.9000 300.1027 -161326.8004 -108750.9664 299.6951 98.4548 128.2841 763096.0648 1.7116 1.6052 PRESSURE: 975600 -224.643 -77.5633 140.127 -77.5635 -45.8025 -247.426 140.128 -247.426 -420.195 GPRESSURE: 975600 -151.902 -108.031 150.813 -98.8628 -10.3157 -231.598 135.615 -317.365 -425.707 PRESSAVG: 975600 -38.8371 -40.9099 12.5932 -40.9099 26.8267 -37.8141 12.5932 -37.814 1.59958 GPRESSAVG: 975600 -38.1025 -39.1234 13.7319 -43.8654 26.4437 -38.5034 15.3926 -39.4239 0.944363 TIMING: 975600 CPU: 3082.59, 0.00318664/step Wall: 3082.59, 0.00318664/step, 3.56231 hours remaining, 233.207031 MB of memory in use. ENERGY: 975600 4000.8721 20397.7621 14524.5304 259.1280 -203205.3204 2587.5087 0.0000 0.0000 52252.9814 -109182.5378 300.2986 -161435.5191 -108809.1383 299.8467 -230.2135 -195.9749 762094.7697 -3.4702 -3.5715 PRESSURE: 975800 -104.765 224.001 266.026 224.001 -28.0162 -9.69719 266.026 -9.69566 -109.968 GPRESSURE: 975800 -59.7406 232.733 299.335 92.9223 15.3273 -2.38054 287.393 9.96528 -101.754 PRESSAVG: 975800 -19.0567 32.5863 34.128 32.5864 67.6832 35.5477 34.1279 35.5477 -8.78554 GPRESSAVG: 975800 -19.9481 31.4893 31.336 33.4069 67.9524 35.5458 34.5759 37.2093 -8.24112 TIMING: 975800 CPU: 3083.22, 0.00317647/step Wall: 3083.22, 0.00317647/step, 3.55076 hours remaining, 233.207031 MB of memory in use. ENERGY: 975800 3942.4612 20463.9410 14532.7850 247.3164 -202845.1810 2369.3901 0.0000 0.0000 52071.2245 -109218.0629 299.2540 -161289.2874 -108849.0852 299.3181 -80.9163 -48.7226 762360.2024 13.2803 13.2544 PRESSURE: 976000 43.0832 178.731 336.752 178.732 218.474 -102.722 336.752 -102.721 543.943 GPRESSURE: 976000 156.175 113.126 340.287 207.735 225.11 -87.7947 190.34 -58.9702 505.853 PRESSAVG: 976000 -14.9136 9.56282 43.099 9.5628 12.6327 3.1825 43.0989 3.18252 1.99695 GPRESSAVG: 976000 -15.1118 8.76672 44.7978 9.81827 13.2401 4.14359 42.1369 2.83896 2.07191 TIMING: 976000 CPU: 3083.85, 0.00316007/step Wall: 3083.85, 0.00316007/step, 3.53226 hours remaining, 233.273438 MB of memory 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 4031.6353 20384.1234 14380.4345 249.4758 -203397.9979 2928.2120 0.0000 0.0000 52018.7697 -109405.3473 298.9526 -161424.1169 -109043.0720 298.8203 268.5000 295.7125 761100.1812 -0.0946 0.0667 PRESSURE: 976200 285.604 166.276 198.214 166.275 -32.6126 130.781 198.214 130.781 64.9557 GPRESSURE: 976200 250.926 191.184 176.158 71.3711 38.9165 149.898 139.018 128.95 102.648 PRESSAVG: 976200 39.5248 27.1398 33.7012 27.1398 -27.9881 60.6771 33.7012 60.6772 5.05414 GPRESSAVG: 976200 39.8479 26.5021 34.6815 27.8325 -28.5484 60.4112 32.8967 60.6282 5.28852 TIMING: 976200 CPU: 3084.49, 0.00316094/step Wall: 3084.49, 0.00316094/step, 3.53305 hours remaining, 233.207031 MB of memory in use. ENERGY: 976200 3981.3895 20453.1395 14439.9888 273.0448 -203181.8866 2721.4644 0.0000 0.0000 51928.4570 -109384.4026 298.4336 -161312.8596 -109019.6217 298.7748 105.9824 130.8301 762550.1524 5.5303 5.5293 LDB: ============= START OF LOAD BALANCING ============== 3097.02 LDB: ============== END OF LOAD BALANCING =============== 3097.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3097.02 LDB: ============= START OF LOAD BALANCING ============== 3097.34 LDB: Largest compute 7077 load 0.031505 is 16.1% of average load 0.195370 LDB: Average compute 0.004373 is 2.2% of average load 0.195370 LDB: TIME 3097.34 LOAD: AVG 0.19537 MAX 0.214437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.449 MB LDB: TIME 3097.34 LOAD: AVG 0.19537 MAX 0.214437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.652 MB LDB: TIME 3097.34 LOAD: AVG 0.19537 MAX 0.214437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.652 MB LDB: ============== END OF LOAD BALANCING =============== 3097.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3097.35 PRESSURE: 976400 -123.396 246.829 -4.69903 246.83 -81.8216 16.8021 -4.69826 16.8028 -47.3164 GPRESSURE: 976400 -23.8858 206.863 33.9213 178.107 -134.034 -77.265 -35.1165 -5.43757 6.10209 PRESSAVG: 976400 22.888 11.9683 -17.786 11.9683 25.3135 8.14647 -17.7861 8.14658 11.9705 GPRESSAVG: 976400 22.8956 12.5739 -18.8032 11.1772 24.8045 7.3111 -17.2249 7.15737 12.1986 TIMING: 976400 CPU: 3085.13, 0.00324454/step Wall: 3085.13, 0.00324454/step, 3.62631 hours remaining, 233.390625 MB of memory in use. ENERGY: 976400 4008.3585 20512.1312 14405.1003 245.2245 -203143.6192 2717.8476 0.0000 0.0000 52115.1368 -109139.8204 299.5064 -161254.9572 -108785.2742 299.2201 -84.1782 -50.6058 763086.1959 20.0573 19.9662 PRESSURE: 976600 -337.63 213.888 -76.5756 213.888 40.2109 36.6898 -76.5756 36.6912 -94.1443 GPRESSURE: 976600 -280.199 284.416 -31.5264 160.515 23.0709 26.6966 73.2598 -48.7266 -44.357 PRESSAVG: 976600 -41.3769 47.2688 4.13841 47.2688 54.5814 -29.1888 4.13839 -29.1887 19.3135 GPRESSAVG: 976600 -42.4732 47.6409 5.0422 48.9324 55.3868 -26.6978 3.85383 -28.9417 20.3296 TIMING: 976600 CPU: 3085.77, 0.00317911/step Wall: 3085.77, 0.00317911/step, 3.553 hours remaining, 233.390625 MB of memory in use. ENERGY: 976600 3922.6051 20491.4014 14469.9774 233.5539 -202902.9183 2260.1853 0.0000 0.0000 52216.1216 -109309.0735 300.0868 -161525.1951 -108937.6776 299.5016 -130.5210 -100.4951 763643.4574 10.8393 11.0811 PRESSURE: 976800 78.5075 110.995 -80.1286 110.994 132.996 36.8738 -80.1281 36.8733 284.881 GPRESSURE: 976800 168.791 164.096 -145.026 154.761 93.2331 86.3044 -118.917 50.0949 332.559 PRESSAVG: 976800 12.1818 33.8765 -28.6265 33.8765 -4.34001 -46.3081 -28.6264 -46.308 18.9543 GPRESSAVG: 976800 12.635 33.2794 -29.351 34.0252 -4.33019 -49.6262 -28.203 -44.7255 18.2311 TIMING: 976800 CPU: 3086.41, 0.00318708/step Wall: 3086.41, 0.00318708/step, 3.56174 hours remaining, 233.390625 MB of memory in use. ENERGY: 976800 3973.0191 20521.8661 14501.9302 235.4655 -203383.9849 2711.7035 0.0000 0.0000 52310.2049 -109129.7956 300.6275 -161440.0005 -108778.1701 299.5511 165.4615 198.1943 762129.4386 8.9320 8.8453 PRESSURE: 977000 387.906 26.0521 145.034 26.0516 199.284 69.9311 145.034 69.9304 492.144 GPRESSURE: 977000 461.866 -50.7677 158.947 -30.1519 284.482 58.8062 123.644 92.6662 420.317 PRESSAVG: 977000 28.0528 23.4088 11.4381 23.4089 -12.3009 -0.289662 11.4382 -0.289584 10.5198 GPRESSAVG: 977000 29.9477 23.0755 9.41489 20.0616 -14.2574 1.96571 10.3693 -3.06443 10.132 TIMING: 977000 CPU: 3087.04, 0.00316113/step Wall: 3087.04, 0.00316113/step, 3.53256 hours remaining, 233.593750 MB of memory in use. ENERGY: 977000 3974.2350 20551.8139 14516.2408 244.7811 -203778.3185 3167.5699 0.0000 0.0000 52297.3543 -109026.3236 300.5536 -161323.6779 -108674.2972 300.1839 359.7781 388.8884 760963.9373 8.7572 8.6074 PRESSURE: 977200 33.5644 69.9991 -244.186 69.9998 -52.5076 -179.765 -244.186 -179.765 -228.944 GPRESSURE: 977200 50.4498 109.173 -196.271 41.6698 19.0732 -190.322 -180.544 -157.941 -240.185 PRESSAVG: 977200 35.6811 22.3604 -10.7186 22.3604 -60.3298 14.8662 -10.7186 14.8661 -13.6443 GPRESSAVG: 977200 33.4571 21.9201 -8.62573 25.6325 -58.261 14.4947 -10.7879 17.6666 -13.5542 TIMING: 977200 CPU: 3087.67, 0.00314978/step Wall: 3087.67, 0.00314978/step, 3.5197 hours remaining, 233.593750 MB of memory in use. ENERGY: 977200 4061.3347 20646.9161 14542.9276 263.1483 -203107.5630 2598.2113 0.0000 0.0000 51994.7820 -109000.2430 298.8147 -160995.0251 -108638.1057 299.5662 -82.6292 -56.8873 761446.0390 -12.7643 -12.7860 PRESSURE: 977400 -143.674 -84.9982 -91.1101 -84.9977 -15.7979 116.519 -91.1099 116.518 -161.939 GPRESSURE: 977400 -1.23861 -34.6936 -49.8675 -212.939 23.194 18.5902 -172.365 -52.0954 -245.053 PRESSAVG: 977400 -15.1019 -39.0402 -7.30997 -39.0402 -32.7621 -10.27 -7.30996 -10.2699 -9.92061 GPRESSAVG: 977400 -14.6744 -39.101 -6.62282 -41.4153 -32.2103 -9.50646 -7.05617 -12.3915 -10.2799 TIMING: 977400 CPU: 3088.3, 0.0031593/step Wall: 3088.3, 0.0031593/step, 3.53017 hours remaining, 233.593750 MB of memory in use. ENERGY: 977400 4015.6860 20577.8160 14548.5236 268.9145 -203372.9398 2827.6870 0.0000 0.0000 52219.5907 -108914.7219 300.1067 -161134.3126 -108551.8864 300.0917 -107.1370 -74.3660 762791.2720 -19.2615 -19.0549 PRESSURE: 977600 185.912 -195.114 -106.854 -195.113 -14.1317 -2.81202 -106.852 -2.81225 200.678 GPRESSURE: 977600 209.124 -91.8019 -182.082 -173.376 21.2529 58.6491 46.3843 -29.2893 208.65 PRESSAVG: 977600 -19.2094 4.73552 -5.67389 4.73549 -15.7522 9.86417 -5.67388 9.86417 -7.57909 GPRESSAVG: 977600 -19.4084 6.38363 -7.32439 5.20065 -16.3304 7.62695 -5.44086 11.8254 -7.1334 TIMING: 977600 CPU: 3088.93, 0.00316607/step Wall: 3088.93, 0.00316607/step, 3.53756 hours remaining, 233.593750 MB of memory in use. ENERGY: 977600 4038.1235 20713.0916 14484.5368 249.2828 -202868.9604 2541.7466 0.0000 0.0000 52074.2410 -108767.9381 299.2714 -160842.1791 -108405.4200 300.2182 124.1527 146.3424 761946.5189 -14.1802 -14.2907 PRESSURE: 977800 -195.796 137.254 101.671 137.253 -138.583 196.676 101.672 196.676 11.2629 GPRESSURE: 977800 -102.795 69.7579 71.6636 90.358 -209.665 229.476 220.925 83.6839 68.1677 PRESSAVG: 977800 -6.44799 -16.2309 4.6844 -16.231 27.9597 -13.2418 4.68441 -13.2418 -8.23143 GPRESSAVG: 977800 -4.78202 -15.5472 5.10016 -16.4241 26.9929 -11.9859 6.02304 -13.3964 -9.22475 TIMING: 977800 CPU: 3089.56, 0.00314833/step Wall: 3089.56, 0.00314833/step, 3.51756 hours remaining, 233.593750 MB of memory in use. ENERGY: 977800 3982.2030 20556.6292 14410.5666 251.3296 -203026.3450 2408.5157 0.0000 0.0000 52437.0515 -108980.0493 301.3565 -161417.1009 -108610.4005 299.9142 -107.7052 -81.4308 761846.1587 4.4267 4.3287 PRESSURE: 978000 30.7375 -68.2633 -217.259 -68.2628 -367.644 77.5428 -217.259 77.5431 94.5882 GPRESSURE: 978000 57.7861 -14.4385 -203.529 -120.13 -270.977 65.2596 -118.979 105.28 54.5609 PRESSAVG: 978000 5.47803 -35.8346 -26.2523 -35.8346 -6.81898 19.7077 -26.2523 19.7076 -7.40707 GPRESSAVG: 978000 4.14934 -37.3745 -26.5854 -35.7889 -4.95062 18.9514 -25.4718 19.0844 -7.99568 TIMING: 978000 CPU: 3090.2, 0.00316927/step Wall: 3090.2, 0.00316927/step, 3.54078 hours remaining, 233.593750 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: 978000 3948.2724 20600.8962 14513.3057 244.9804 -203234.2648 2431.1121 0.0000 0.0000 52257.5997 -109238.0983 300.3251 -161495.6980 -108859.4540 299.6146 -80.7726 -52.8766 761946.1231 -2.9160 -2.9323 PRESSURE: 978200 -84.7253 11.355 163.569 11.3552 391.337 170.819 163.569 170.82 383.804 GPRESSURE: 978200 34.5408 -24.7435 170.481 -37.7142 406.533 175.263 191.946 161.858 344.642 PRESSAVG: 978200 -24.5767 5.85581 51.2368 5.85579 40.481 85.9334 51.2368 85.9334 25.4921 GPRESSAVG: 978200 -24.2667 7.97551 51.6942 6.23196 39.7535 85.7415 50.2632 84.4374 25.9275 TIMING: 978200 CPU: 3090.83, 0.00316465/step Wall: 3090.83, 0.00316465/step, 3.53544 hours remaining, 233.593750 MB of memory in use. ENERGY: 978200 4001.7282 20644.9650 14499.9550 229.6225 -203221.8180 2706.4100 0.0000 0.0000 51946.0398 -109193.0975 298.5346 -161139.1373 -108844.3753 299.4259 230.1388 261.9051 760803.0784 13.7988 13.8048 PRESSURE: 978400 370.678 -129.699 -261.909 -129.7 -194.657 117.578 -261.91 117.579 127.008 GPRESSURE: 978400 405.762 -32.2928 -309.525 -160.913 -96.0302 118.701 -235.92 73.5796 86.6573 PRESSAVG: 978400 -5.30587 -7.77779 73.9479 -7.7778 -30.9015 28.2752 73.9478 28.2752 18.9453 GPRESSAVG: 978400 -4.84168 -9.71666 73.6982 -7.39951 -32.3888 28.1957 73.8103 29.7403 19.0208 TIMING: 978400 CPU: 3091.46, 0.00315504/step Wall: 3091.46, 0.00315504/step, 3.52454 hours remaining, 233.593750 MB of memory in use. ENERGY: 978400 4051.3429 20520.2790 14431.4248 243.9688 -203266.5954 2728.0207 0.0000 0.0000 52326.5839 -108964.9754 300.7216 -161291.5593 -108596.2059 299.7089 101.0099 132.1296 762773.1569 -5.7540 -6.0699 PRESSURE: 978600 297.214 -51.107 -121.75 -51.1062 236.844 -12.9112 -121.75 -12.9116 -30.8373 GPRESSURE: 978600 220.589 -242.977 -112.015 -35.6299 349.12 -72.8327 -91.5858 -32.9054 37.3566 PRESSAVG: 978600 -10.4165 -35.7091 -11.0807 -35.7091 12.908 -6.08908 -11.0807 -6.089 -11.358 GPRESSAVG: 978600 -11.727 -34.8981 -12.8033 -36.3994 13.6895 -4.87435 -11.2089 -4.07238 -10.7169 TIMING: 978600 CPU: 3092.09, 0.00316309/step Wall: 3092.09, 0.00316309/step, 3.53335 hours remaining, 233.593750 MB of memory in use. ENERGY: 978600 4014.2066 20421.4482 14530.2872 249.7351 -203185.8371 2637.2260 0.0000 0.0000 52309.7233 -109023.2107 300.6247 -161332.9340 -108668.9365 300.2808 167.7402 202.3554 760060.1553 -2.9555 -2.9181 PRESSURE: 978800 36.7658 -24.4271 -60.252 -24.4259 229.813 79.0866 -60.2518 79.0877 151.035 GPRESSURE: 978800 138.974 -58.8429 -26.9404 -134.131 146.148 2.10218 -80.3175 4.15876 228.978 PRESSAVG: 978800 14.9253 -16.5354 -31.5226 -16.5353 -9.26553 32.1958 -31.5225 32.1958 -3.53608 GPRESSAVG: 978800 15.4802 -15.1699 -32.2143 -17.7644 -8.5668 30.3214 -32.9587 30.5231 -4.56382 TIMING: 978800 CPU: 3092.73, 0.00316951/step Wall: 3092.73, 0.00316951/step, 3.54034 hours remaining, 233.593750 MB of memory in use. ENERGY: 978800 3959.6890 20645.1403 14483.1944 259.4642 -203628.8968 2976.8081 0.0000 0.0000 52188.2405 -109116.3603 299.9265 -161304.6007 -108751.7319 300.1895 139.2046 171.3668 761036.7705 0.7079 0.7832 PRESSURE: 979000 -168.716 -135.738 163.182 -135.738 -161.487 145.019 163.183 145.019 -280.54 GPRESSURE: 979000 -50.4023 -208.016 284.266 -169.496 -146.291 235.642 97.7002 178.706 -317.511 PRESSAVG: 979000 -25.1414 -39.8407 24.4246 -39.8407 51.9323 51.6517 24.4246 51.6516 2.15722 GPRESSAVG: 979000 -23.9784 -42.4608 25.4098 -40.1266 50.6316 53.5927 27.4289 52.1804 2.49593 TIMING: 979000 CPU: 3093.36, 0.00316375/step Wall: 3093.36, 0.00316375/step, 3.53373 hours remaining, 233.593750 MB of memory in use. ENERGY: 979000 3946.3413 20640.9495 14444.6857 235.3684 -202955.1364 2391.8256 0.0000 0.0000 52271.0126 -109024.9535 300.4022 -161295.9660 -108653.0654 300.0238 -203.5811 -171.4014 762679.7110 9.6494 9.7164 PRESSURE: 979200 692.284 -35.5124 -58.0339 -35.5121 143.235 -95.42 -58.0342 -95.4197 368.72 GPRESSURE: 979200 728.697 30.2259 42.0001 4.38634 163.193 -62.9502 -84.0772 -148.413 383.587 PRESSAVG: 979200 -22.9537 -15.1194 9.08839 -15.1194 33.4236 29.4504 9.08841 29.4503 24.4564 GPRESSAVG: 979200 -23.7158 -15.0264 9.48802 -13.8364 33.8946 29.0011 7.61193 30.4067 24.7776 TIMING: 979200 CPU: 3093.99, 0.00316702/step Wall: 3093.99, 0.00316702/step, 3.53721 hours remaining, 233.593750 MB of memory in use. ENERGY: 979200 3889.6331 20722.8465 14460.8718 259.7249 -203439.9447 2785.2977 0.0000 0.0000 52174.6533 -109146.9175 299.8484 -161321.5708 -108794.1087 299.7796 401.4131 425.1588 761379.9266 11.6421 11.6521 PRESSURE: 979400 -213.017 -167.433 -210.408 -167.435 -3.99179 38.3749 -210.409 38.3748 287.568 GPRESSURE: 979400 -212.287 -125.604 -156.75 -204.751 -25.6813 73.9143 -153.519 32.6283 396.597 PRESSAVG: 979400 2.00424 18.0953 21.4345 18.0953 -26.2852 29.034 21.4344 29.034 13.2101 GPRESSAVG: 979400 1.51524 18.5108 22.9107 17.2695 -25.1771 28.774 19.9798 27.7541 12.9829 TIMING: 979400 CPU: 3094.63, 0.00319046/step Wall: 3094.63, 0.00319046/step, 3.56321 hours remaining, 233.593750 MB of memory in use. ENERGY: 979400 4003.2845 20694.5110 14508.2528 254.1909 -202806.1618 2352.0292 0.0000 0.0000 51915.3903 -109078.5031 298.3585 -160993.8935 -108718.8102 299.7005 23.5197 52.8763 762143.1303 -3.6903 -3.5597 PRESSURE: 979600 194.995 205.56 118.13 205.56 311.957 44.8855 118.13 44.8855 279.07 GPRESSURE: 979600 247.341 231.664 116.334 165.09 226.799 -42.7451 114.045 97.9511 389.309 PRESSAVG: 979600 3.45837 -8.97553 58.9199 -8.97555 -2.47588 -8.21668 58.9199 -8.21666 33.3387 GPRESSAVG: 979600 4.4114 -8.45118 58.5589 -8.336 -4.5591 -8.91232 59.4128 -7.6921 34.5108 TIMING: 979600 CPU: 3095.26, 0.00316106/step Wall: 3095.26, 0.00316106/step, 3.5302 hours remaining, 233.593750 MB of memory in use. ENERGY: 979600 3954.5048 20559.4158 14455.3817 254.2323 -202992.8497 2395.2056 0.0000 0.0000 52201.4463 -109172.6632 300.0024 -161374.1095 -108800.7056 299.3556 262.0073 287.8161 761148.0566 11.4404 11.4544 PRESSURE: 979800 -102.356 -62.6788 -71.3669 -62.6787 -362.68 18.3371 -71.3665 18.337 -4.05446 GPRESSURE: 979800 -125.563 -143.325 -61.0223 -58.0981 -260.618 122.786 -111.379 -22.1398 5.70801 PRESSAVG: 979800 -57.1516 -29.343 -17.5858 -29.343 45.0444 15.6262 -17.5857 15.6262 -5.07862 GPRESSAVG: 979800 -56.4296 -29.9909 -18.5622 -27.7464 45.4593 16.3767 -16.5395 14.0373 -5.25175 TIMING: 979800 CPU: 3095.9, 0.00318013/step Wall: 3095.9, 0.00318013/step, 3.55132 hours remaining, 233.593750 MB of memory in use. ENERGY: 979800 3945.2095 20522.1175 14444.1180 240.6928 -202916.6094 2499.5101 0.0000 0.0000 52019.7259 -109245.2357 298.9581 -161264.9616 -108884.5311 298.8087 -156.3632 -126.8242 762619.5430 -5.7286 -5.4073 PRESSURE: 980000 -145.346 -6.83878 159.622 -6.83927 256.047 67.675 159.622 67.6747 -36.6307 GPRESSURE: 980000 -121.594 24.251 214.803 -153.511 225.798 73.2444 -60.6187 205.879 65.0597 PRESSAVG: 980000 -67.0044 -59.7147 55.1129 -59.7147 10.6132 58.5958 55.1129 58.5957 -11.8426 GPRESSAVG: 980000 -66.9771 -59.1523 55.7337 -60.0857 11.4849 59.1623 53.544 60.7121 -12.8328 TIMING: 980000 CPU: 3096.53, 0.00314051/step Wall: 3096.53, 0.00314051/step, 3.5069 hours remaining, 233.593750 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: 980000 3914.4602 20610.7014 14503.3935 225.5505 -203074.9906 2531.7594 0.0000 0.0000 51837.3397 -109451.7859 297.9099 -161289.1256 -109092.3888 298.5695 24.6901 56.4211 761447.8761 -22.7446 -22.7750 PRESSURE: 980200 202.84 3.03762 -34.7853 3.03698 -245.801 13.5993 -34.7849 13.6002 39.172 GPRESSURE: 980200 209.898 48.5796 -44.0835 -6.74058 -201.157 -12.0552 -1.80233 -50.8224 89.5663 PRESSAVG: 980200 6.55138 -41.2942 -41.8959 -41.2942 -28.6762 38.4386 -41.8959 38.4386 -5.17227 GPRESSAVG: 980200 6.41089 -40.3208 -42.0385 -43.9267 -28.7871 37.4147 -40.6848 38.8572 -4.44902 TIMING: 980200 CPU: 3097.16, 0.00315241/step Wall: 3097.16, 0.00315241/step, 3.52002 hours remaining, 233.593750 MB of memory in use. ENERGY: 980200 3996.6244 20382.8572 14436.6839 243.8003 -203164.5173 2617.6866 0.0000 0.0000 52118.2551 -109368.6097 299.5243 -161486.8648 -108999.5669 299.0490 -1.2631 32.7691 760767.2168 -9.0990 -8.9417 LDB: ============= START OF LOAD BALANCING ============== 3109.69 LDB: ============== END OF LOAD BALANCING =============== 3109.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3109.69 LDB: ============= START OF LOAD BALANCING ============== 3110.01 LDB: Largest compute 7056 load 0.031973 is 16.4% of average load 0.195293 LDB: Average compute 0.004392 is 2.2% of average load 0.195293 LDB: TIME 3110.02 LOAD: AVG 0.195293 MAX 0.21362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 3110.02 LOAD: AVG 0.195293 MAX 0.21362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: TIME 3110.02 LOAD: AVG 0.195293 MAX 0.21362 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: ============== END OF LOAD BALANCING =============== 3110.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3110.02 PRESSURE: 980400 155.891 27.4395 408.358 27.4403 195.269 -157.121 408.359 -157.121 -155.137 GPRESSURE: 980400 168.898 -85.3194 384.333 4.45701 257.791 -163.006 287.845 -186.732 -119.929 PRESSAVG: 980400 51.7646 -31.1056 -22.4467 -31.1056 -11.2112 -0.746911 -22.4467 -0.746932 -0.141222 GPRESSAVG: 980400 52.0613 -31.4157 -22.2005 -27.2497 -12.0006 -0.759852 -23.2734 -2.4284 0.431929 TIMING: 980400 CPU: 3097.81, 0.00323569/step Wall: 3097.81, 0.00323569/step, 3.61283 hours remaining, 234.421875 MB of memory in use. ENERGY: 980400 3990.0178 20513.1518 14379.3674 255.1320 -203456.0852 2960.8229 0.0000 0.0000 52138.0007 -109219.5926 299.6378 -161357.5934 -108854.0106 299.2438 65.3409 102.2534 762511.7017 13.4707 13.4975 PRESSURE: 980600 98.1893 38.2037 -44.7981 38.2043 94.6057 82.0331 -44.7974 82.0338 -190.757 GPRESSURE: 980600 99.6727 38.1519 -92.4641 77.556 151.805 130.547 43.5826 28.578 -138.128 PRESSAVG: 980600 -0.436644 -17.9578 13.0387 -17.9578 29.9382 19.9936 13.0387 19.9937 0.888991 GPRESSAVG: 980600 -1.21049 -18.7362 13.0537 -20.7338 30.4717 21.314 12.3667 17.8757 0.561027 TIMING: 980600 CPU: 3098.44, 0.00316468/step Wall: 3098.44, 0.00316468/step, 3.53336 hours remaining, 234.566406 MB of memory in use. ENERGY: 980600 4008.2906 20479.2546 14442.5207 236.7833 -203606.7497 2843.6758 0.0000 0.0000 52093.3818 -109502.8430 299.3814 -161596.2247 -109139.2651 299.1929 0.6794 37.7833 761931.0951 10.1302 9.9408 PRESSURE: 980800 -209.26 60.4998 -344.032 60.4996 33.2665 -78.0517 -344.033 -78.0528 -258.177 GPRESSURE: 980800 -150.197 126.481 -422.627 71.4481 17.9558 -4.4849 -192.274 15.6616 -214.055 PRESSAVG: 980800 -52.5248 16.7642 -2.19422 16.7642 66.7457 -14.4851 -2.19431 -14.4851 -3.48581 GPRESSAVG: 980800 -53.2247 19.5599 -4.10199 18.2941 66.2429 -16.0778 0.0121957 -8.71969 -2.3017 TIMING: 980800 CPU: 3099.07, 0.0031532/step Wall: 3099.07, 0.00315321/step, 3.52038 hours remaining, 234.566406 MB of memory in use. ENERGY: 980800 4027.2124 20548.9061 14407.1362 229.2501 -202840.3216 2283.5714 0.0000 0.0000 52007.8769 -109336.3685 298.8900 -161344.2455 -108971.5162 298.9704 -144.7234 -115.4319 763053.6497 3.5783 3.5722 PRESSURE: 981000 -294.979 101.016 124.213 101.016 81.6566 175.5 124.212 175.499 113.858 GPRESSURE: 981000 -235.162 120.455 116.884 97.5059 86.3983 184.105 79.0828 79.5607 129.344 PRESSAVG: 981000 19.2463 -17.2773 5.09465 -17.2773 -38.6286 37.7848 5.09464 37.7848 13.2308 GPRESSAVG: 981000 21.5008 -18.9729 7.09061 -18.6813 -37.2781 39.7924 4.73926 33.5501 10.9573 TIMING: 981000 CPU: 3099.7, 0.00316414/step Wall: 3099.7, 0.00316414/step, 3.53241 hours remaining, 234.636719 MB of memory in use. ENERGY: 981000 4032.1142 20554.5176 14382.0276 229.3627 -203486.1821 2726.0314 0.0000 0.0000 52140.7138 -109421.4148 299.6534 -161562.1286 -109050.1243 299.3350 -33.1546 -6.4731 762596.6085 -2.0505 -1.6067 PRESSURE: 981200 -274.578 24.5078 -60.1952 24.5078 -62.8653 -31.6153 -60.1945 -31.6145 -4.52751 GPRESSURE: 981200 -180.441 80.226 -134.943 90.6293 4.46506 -63.7476 -107.036 -4.16109 -62 PRESSAVG: 981200 -17.6141 4.53979 -3.43707 4.53977 19.7959 83.7003 -3.43705 83.7003 4.94654 GPRESSAVG: 981200 -19.2274 6.50858 -3.88559 1.7541 19.5628 83.131 -1.9821 83.7451 6.58896 TIMING: 981200 CPU: 3100.33, 0.00314273/step Wall: 3100.33, 0.00314273/step, 3.50833 hours remaining, 234.636719 MB of memory in use. ENERGY: 981200 3967.8283 20558.6059 14413.4041 246.6893 -202498.4353 2273.0531 0.0000 0.0000 51750.9072 -109287.9473 297.4132 -161038.8545 -108924.5849 299.2342 -113.9903 -79.3253 762566.0427 2.3761 2.3081 PRESSURE: 981400 39.4273 34.9604 52.4027 34.9616 -192.56 35.6952 52.403 35.695 2.25453 GPRESSURE: 981400 157.779 -0.489496 123.456 90.0096 -269.156 58.16 84.0576 -36.6145 66.7461 PRESSAVG: 981400 38.5361 -30.4094 -47.4794 -30.4094 -9.88207 6.67155 -47.4794 6.67149 19.3743 GPRESSAVG: 981400 39.948 -33.8129 -46.7076 -26.5522 -10.3884 6.44268 -48.3909 6.80975 18.2109 TIMING: 981400 CPU: 3100.96, 0.00316033/step Wall: 3100.96, 0.00316033/step, 3.5278 hours remaining, 234.636719 MB of memory in use. ENERGY: 981400 3913.7395 20683.2541 14411.4535 253.7087 -203019.6690 2583.2837 0.0000 0.0000 51942.2729 -109231.9566 298.5130 -161174.2295 -108871.7955 299.5974 -50.2927 -14.8771 761381.7100 16.0094 15.9235 PRESSURE: 981600 -16.575 11.3402 -11.8112 11.339 -139.87 -89.0054 -11.8111 -89.0044 -46.7941 GPRESSURE: 981600 -12.2312 83.9015 -111.176 -58.1746 -81.7594 -147.764 17.8966 -130.522 4.48376 PRESSAVG: 981600 7.57497 -6.26498 -12.8252 -6.26497 -36.9744 -48.7548 -12.8252 -48.7548 -1.25081 GPRESSAVG: 981600 6.70825 -4.159 -15.6782 -8.04215 -37.0654 -49.1144 -13.7635 -48.4768 -0.130937 TIMING: 981600 CPU: 3101.59, 0.00314888/step Wall: 3101.59, 0.00314888/step, 3.51485 hours remaining, 234.636719 MB of memory in use. ENERGY: 981600 3988.3561 20312.4970 14516.2339 272.1896 -203352.5175 2759.5065 0.0000 0.0000 52337.9230 -109165.8114 300.7868 -161503.7344 -108806.3157 299.6299 -67.7464 -29.8356 759720.4658 -10.2167 -10.1627 PRESSURE: 981800 -301.991 73.0525 -28.6307 73.0529 -90.7757 148.156 -28.6306 148.155 -112.018 GPRESSURE: 981800 -236.754 162.267 5.88616 77.2755 -53.4322 227.78 -143.958 146.638 -124.683 PRESSAVG: 981800 25.89 -37.4787 72.2912 -37.4787 -61.4691 -13.2503 72.2911 -13.2502 -2.01775 GPRESSAVG: 981800 24.6923 -38.738 74.2671 -36.2117 -60.523 -13.6768 73.2537 -13.0943 -1.80441 TIMING: 981800 CPU: 3102.22, 0.00313684/step Wall: 3102.22, 0.00313684/step, 3.50124 hours remaining, 234.636719 MB of memory in use. ENERGY: 981800 4020.3494 20552.1329 14516.3833 238.0977 -202767.3200 2318.6652 0.0000 0.0000 51965.3711 -109156.3203 298.6457 -161121.6914 -108801.3761 299.3843 -168.2615 -138.2897 764014.6461 -12.5323 -12.5450 PRESSURE: 982000 -458.214 -169.366 -113.377 -169.367 -100.259 177.442 -113.377 177.443 219.033 GPRESSURE: 982000 -324.109 -111.682 -177.181 -208.822 -95.7012 152.265 -8.05214 146.527 191.066 PRESSAVG: 982000 -18.2265 -9.93724 14.7544 -9.93723 -30.4263 14.6692 14.7544 14.6692 15.3517 GPRESSAVG: 982000 -17.9298 -11.0676 14.4405 -8.97899 -30.0918 13.8374 16.8571 15.6262 14.4955 TIMING: 982000 CPU: 3102.85, 0.00314989/step Wall: 3102.85, 0.00314989/step, 3.51562 hours remaining, 234.839844 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: 982000 4052.9413 20477.8594 14534.7740 244.7913 -202839.1741 2487.9226 0.0000 0.0000 51917.3102 -109123.5752 298.3695 -161040.8854 -108771.4423 298.8774 -113.1465 -76.2481 763168.6445 -11.1004 -11.1754 PRESSURE: 982200 70.4199 -21.997 -187.444 -21.9966 -524.746 -6.75885 -187.444 -6.75797 163.407 GPRESSURE: 982200 -4.8966 -32.3288 -136.722 -32.3185 -458.817 17.4618 -61.0645 -45.2234 262.49 PRESSAVG: 982200 12.4172 -10.3613 -28.4952 -10.3613 -5.51606 33.7616 -28.4951 33.7615 10.5027 GPRESSAVG: 982200 11.5206 -9.86962 -29.505 -10.6709 -4.40683 36.0006 -29.9695 30.1061 10.1503 TIMING: 982200 CPU: 3103.48, 0.00315578/step Wall: 3103.48, 0.00315578/step, 3.52202 hours remaining, 234.839844 MB of memory in use. ENERGY: 982200 3953.8291 20484.9073 14431.4261 242.8613 -203142.4165 2631.2006 0.0000 0.0000 52209.2496 -109188.9425 300.0473 -161398.1921 -108822.2356 299.4982 -96.9730 -67.0747 762280.2205 5.8013 5.7547 PRESSURE: 982400 -262.669 115.984 125.801 115.984 48.7935 -106.023 125.801 -106.022 -249.319 GPRESSURE: 982400 -158.542 41.5923 148.959 125.36 -21.3554 -94.1807 150.185 -53.7891 -187.67 PRESSAVG: 982400 -0.41922 -66.226 -9.59512 -66.226 -10.6668 28.998 -9.59516 28.998 14.1025 GPRESSAVG: 982400 -1.37863 -64.457 -8.98157 -67.3062 -9.82908 26.4137 -10.4057 32.4056 14.1139 TIMING: 982400 CPU: 3104.11, 0.00316129/step Wall: 3104.11, 0.00316129/step, 3.528 hours remaining, 234.839844 MB of memory in use. ENERGY: 982400 3979.6336 20442.7547 14415.9184 242.9853 -203260.0899 2887.4846 0.0000 0.0000 52111.9583 -109179.3550 299.4881 -161291.3133 -108810.3683 299.5189 -154.3982 -122.5223 762146.1643 1.0055 0.9687 PRESSURE: 982600 28.2814 -3.35182 214.437 -3.35147 180.791 12.1161 214.436 12.1156 -496.781 GPRESSURE: 982600 108.4 -128.934 212.835 -82.2391 92.5317 -42.6419 114.47 13.2891 -409.355 PRESSAVG: 982600 -32.1471 -19.9967 39.2664 -19.9967 53.5108 41.4277 39.2665 41.4276 12.3516 GPRESSAVG: 982600 -31.4642 -21.3021 38.279 -18.3778 51.9472 43.8385 40.4109 38.8117 13.0178 TIMING: 982600 CPU: 3104.75, 0.00316146/step Wall: 3104.75, 0.00316146/step, 3.52802 hours remaining, 234.839844 MB of memory in use. ENERGY: 982600 4007.5245 20616.9498 14492.9005 257.9941 -203462.8435 2740.8791 0.0000 0.0000 51968.7023 -109377.8932 298.6648 -161346.5955 -109023.7042 299.2823 -95.9028 -69.4744 760520.3214 11.2384 11.1669 PRESSURE: 982800 -346.296 181.089 136.463 181.088 -189.036 -89.9323 136.462 -89.9312 158.721 GPRESSURE: 982800 -194.976 124.143 172.984 192.79 -192.878 -135.885 178.04 -145.785 93.1842 PRESSAVG: 982800 -16.9037 17.116 34.1498 17.1159 22.7619 14.5319 34.1497 14.532 -8.81744 GPRESSAVG: 982800 -16.2859 17.2695 34.0323 14.7189 23.2096 13.7029 35.6841 17.3248 -9.81928 TIMING: 982800 CPU: 3105.37, 0.0031304/step Wall: 3105.37, 0.0031304/step, 3.49318 hours remaining, 234.839844 MB of memory in use. ENERGY: 982800 4011.1233 20411.3238 14438.0838 251.4611 -203627.7982 2924.1829 0.0000 0.0000 52276.8072 -109314.8162 300.4355 -161591.6234 -108948.0460 299.1084 -125.5370 -98.2231 760920.7639 -0.9864 -0.9652 PRESSURE: 983000 -205.178 -342.746 -19.9155 -342.746 125.016 -9.19729 -19.9154 -9.19774 -141.118 GPRESSURE: 983000 -164.992 -217.685 35.1607 -291.249 130.089 9.74318 26.1595 -71.5447 -98.4371 PRESSAVG: 983000 4.71592 -47.9178 68.201 -47.9178 -8.43572 -48.2344 68.2009 -48.2344 -9.78838 GPRESSAVG: 983000 5.06621 -48.0502 69.1701 -47.0418 -9.55751 -48.7785 67.9933 -49.9019 -8.66138 TIMING: 983000 CPU: 3106, 0.00315925/step Wall: 3106, 0.00315926/step, 3.5252 hours remaining, 234.839844 MB of memory in use. ENERGY: 983000 4001.2980 20630.0327 14393.9966 265.3315 -202600.3446 2102.3110 0.0000 0.0000 51931.7752 -109275.5995 298.4526 -161207.3747 -108916.5473 299.2440 -73.7598 -44.4467 762326.1632 -4.5027 -4.3842 PRESSURE: 983200 -66.1998 -100.303 13.2513 -100.304 -239.785 -19.3355 13.2511 -19.335 -335.327 GPRESSURE: 983200 -114.478 -179.824 79.0454 -39.819 -174.281 -19.5773 94.5028 26.2599 -267.78 PRESSAVG: 983200 37.2261 -10.8996 -54.4637 -10.8995 -19.9208 -76.3526 -54.4637 -76.3526 -1.3989 GPRESSAVG: 983200 37.9011 -10.0883 -53.1566 -12.0419 -19.5331 -76.8898 -55.4278 -74.1588 -2.92418 TIMING: 983200 CPU: 3106.63, 0.00314432/step Wall: 3106.63, 0.00314432/step, 3.50836 hours remaining, 234.839844 MB of memory in use. ENERGY: 983200 3872.1886 20422.0130 14483.4672 270.4153 -202803.7448 2246.7576 0.0000 0.0000 51994.3232 -109514.5800 298.8121 -161508.9032 -109151.9761 299.1611 -213.7706 -185.5129 762410.2118 5.3021 5.1480 PRESSURE: 983400 -140.066 -212.606 -38.1251 -212.606 60.7343 -73.9252 -38.1249 -73.9252 -169.011 GPRESSURE: 983400 -129.073 -153.528 23.892 -145.496 200.034 -78.9886 -41.8659 -185.579 -222.866 PRESSAVG: 983400 5.03902 8.8571 11.2519 8.8571 -2.1082 -11.1351 11.2519 -11.1351 6.1676 GPRESSAVG: 983400 4.03769 7.59843 11.5514 8.81301 -1.8582 -11.716 10.2161 -11.9032 7.10131 TIMING: 983400 CPU: 3107.26, 0.00315383/step Wall: 3107.26, 0.00315383/step, 3.5188 hours remaining, 234.839844 MB of memory in use. ENERGY: 983400 3973.9071 20483.5274 14468.7499 261.6084 -203222.4912 2480.9397 0.0000 0.0000 51883.4673 -109670.2915 298.1750 -161553.7587 -109313.8738 298.2569 -82.7810 -50.6346 761425.7110 3.0328 3.0936 PRESSURE: 983600 -576.598 199.327 56.5421 199.328 -137.94 -283.426 56.5417 -283.426 -444.83 GPRESSURE: 983600 -540.294 73.8099 23.2549 313.492 -132.13 -118.659 107.075 -154.894 -414.747 PRESSAVG: 983600 5.11296 -1.0619 -35.1304 -1.06192 38.2176 -24.25 -35.1305 -24.25 11.5148 GPRESSAVG: 983600 4.24133 -0.748429 -36.4263 -0.339915 39.7177 -23.3408 -34.1862 -24.4888 10.7801 TIMING: 983600 CPU: 3107.9, 0.00316506/step Wall: 3107.9, 0.00316506/step, 3.53116 hours remaining, 234.839844 MB of memory in use. ENERGY: 983600 4012.9283 20494.2944 14521.8161 244.0948 -203400.3495 2640.2042 0.0000 0.0000 51637.3521 -109849.6596 296.7606 -161487.0117 -109489.4907 298.2729 -386.4561 -362.3903 761679.6235 18.2818 18.2464 PRESSURE: 983800 31.5928 126.991 -34.3181 126.991 166.75 -21.1196 -34.3177 -21.1192 -302.366 GPRESSURE: 983800 81.3685 50.3487 -162.673 101.929 148.457 -51.795 -39.7034 2.75297 -234.633 PRESSAVG: 983800 44.5007 -2.63156 -34.8385 -2.63153 -3.85836 -52.3433 -34.8384 -52.3433 4.9375 GPRESSAVG: 983800 44.8682 -2.85063 -35.9075 -1.08622 -5.58802 -52.1515 -35.1793 -50.3767 6.27307 TIMING: 983800 CPU: 3108.53, 0.00314223/step Wall: 3108.53, 0.00314223/step, 3.50551 hours remaining, 234.839844 MB of memory in use. ENERGY: 983800 4024.4303 20417.5746 14525.9657 250.6178 -203205.2331 2517.7544 0.0000 0.0000 51928.9796 -109539.9108 298.4366 -161468.8904 -109179.6811 298.6916 -34.6746 -1.6025 760764.1927 15.1933 15.1844 PRESSURE: 984000 -137.242 -72.9311 -196.054 -72.9309 -355.132 138.045 -196.055 138.043 -337.523 GPRESSURE: 984000 -40.2479 -150.132 -160.683 15.8614 -374.997 62.8955 -118.682 84.7259 -338.039 PRESSAVG: 984000 -10.2354 21.8931 -30.2841 21.8931 55.0399 -28.1985 -30.2841 -28.1986 -14.7445 GPRESSAVG: 984000 -10.1371 21.9852 -29.5411 20.7207 55.3358 -27.5768 -29.8665 -32.4305 -14.9298 TIMING: 984000 CPU: 3109.15, 0.00314541/step Wall: 3109.15, 0.00314541/step, 3.50888 hours remaining, 234.839844 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: 984000 3946.8223 20361.8678 14499.2847 242.2929 -203030.3547 2515.3857 0.0000 0.0000 51981.2925 -109483.4089 298.7372 -161464.7014 -109117.4693 298.5670 -276.6324 -251.0946 761924.2153 10.0200 10.0896 PRESSURE: 984200 -204.819 126.34 -59.6347 126.34 8.02525 43.9607 -59.6346 43.9607 -564.847 GPRESSURE: 984200 -196.638 151.303 -3.30644 251.252 69.2863 81.8176 8.17773 17.1384 -564.107 PRESSAVG: 984200 -19.041 -45.0361 -0.607593 -45.0361 41.7063 27.3512 -0.607652 27.3512 -5.44692 GPRESSAVG: 984200 -19.4036 -43.2902 -0.334681 -45.391 43.1708 28.2667 -0.767192 26.8685 -6.71753 TIMING: 984200 CPU: 3109.78, 0.00314013/step Wall: 3109.78, 0.00314013/step, 3.50282 hours remaining, 234.839844 MB of memory in use. ENERGY: 984200 3919.0254 20461.2481 14394.3432 246.2682 -203055.2697 2448.0036 0.0000 0.0000 51994.4141 -109591.9672 298.8126 -161586.3813 -109230.2142 298.6404 -253.8801 -230.4863 762803.1753 5.7394 5.6832 LDB: ============= START OF LOAD BALANCING ============== 3122.31 LDB: ============== END OF LOAD BALANCING =============== 3122.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3122.32 LDB: ============= START OF LOAD BALANCING ============== 3122.63 LDB: Largest compute 7031 load 0.030738 is 15.7% of average load 0.195291 LDB: Average compute 0.004373 is 2.2% of average load 0.195291 LDB: TIME 3122.63 LOAD: AVG 0.195291 MAX 0.214152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.902 MB LDB: TIME 3122.63 LOAD: AVG 0.195291 MAX 0.214152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: TIME 3122.63 LOAD: AVG 0.195291 MAX 0.214152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: ============== END OF LOAD BALANCING =============== 3122.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3122.64 PRESSURE: 984400 124.104 70.2475 -92.9302 70.2486 -323.69 33.0449 -92.9302 33.0445 -53.2084 GPRESSURE: 984400 168.106 79.6894 -69.1306 25.1833 -279.436 -2.35139 -31.698 -11.0584 -35.3263 PRESSAVG: 984400 -19.2597 33.9565 -4.58937 33.9565 49.53 -29.8447 -4.58941 -29.8448 -32.1371 GPRESSAVG: 984400 -19.0165 30.8207 -4.82958 33.398 48.3526 -29.3755 -5.07866 -29.3467 -30.4343 TIMING: 984400 CPU: 3110.42, 0.00320922/step Wall: 3110.42, 0.00320922/step, 3.57971 hours remaining, 233.136719 MB of memory in use. ENERGY: 984400 3950.2446 20361.2681 14471.9451 271.0821 -203059.5965 2557.2136 0.0000 0.0000 51945.9339 -109501.9090 298.5340 -161447.8429 -109136.8658 298.0750 -84.2649 -48.8854 763102.7604 -0.6223 -0.3661 PRESSURE: 984600 -108.256 203.488 -100.717 203.488 273.353 -95.2913 -100.717 -95.2909 361.722 GPRESSURE: 984600 -57.0487 136.571 -133.591 180.954 326.194 -146.891 -39.1945 4.60373 340.151 PRESSAVG: 984600 -24.3257 11.7907 -54.9775 11.7907 -31.5139 21.794 -54.9775 21.7941 -0.162287 GPRESSAVG: 984600 -24.0833 12.1235 -55.703 12.1756 -31.6915 18.8451 -55.2342 24.5626 -0.867022 TIMING: 984600 CPU: 3111.05, 0.00315182/step Wall: 3111.05, 0.00315182/step, 3.51551 hours remaining, 233.265625 MB of memory in use. ENERGY: 984600 3876.1444 20390.3622 14504.3299 260.4701 -203292.2949 2725.6951 0.0000 0.0000 51994.2518 -109541.0414 298.8117 -161535.2932 -109179.6773 298.5950 175.6068 203.0987 763462.9040 -18.6673 -18.8806 PRESSURE: 984800 18.1233 -5.16282 97.9536 -5.16366 346.802 130.952 97.9545 130.952 188.246 GPRESSURE: 984800 11.8844 -7.65487 44.1705 -33.7145 409.099 90.3404 -49.028 145.009 220.073 PRESSAVG: 984800 0.0230674 -22.1367 -27.6934 -22.1367 26.8055 54.0212 -27.6934 54.0212 -5.48963 GPRESSAVG: 984800 -0.0758534 -22.9385 -25.7551 -19.8588 27.7834 55.34 -26.1732 52.963 -6.2261 TIMING: 984800 CPU: 3111.68, 0.00313707/step Wall: 3111.68, 0.00313707/step, 3.49888 hours remaining, 233.265625 MB of memory in use. ENERGY: 984800 3886.7305 20501.0855 14479.8006 260.2038 -203347.2632 2638.2906 0.0000 0.0000 52082.5813 -109498.5709 299.3193 -161581.1522 -109139.5081 298.6080 184.3904 213.6854 760890.4523 7.1130 7.1605 PRESSURE: 985000 -9.30988 -176.035 40.0057 -176.034 -447.967 -112.394 40.0061 -112.394 -381.328 GPRESSURE: 985000 -107.408 -96.5423 68.4075 -198.661 -332.262 -27.2301 133.237 -181.361 -326.5 PRESSAVG: 985000 -27.518 -0.42509 35.3497 -0.425044 71.7787 56.573 35.3497 56.573 6.8155 GPRESSAVG: 985000 -29.0909 -0.323879 34.8505 0.202023 71.4526 56.823 33.6485 56.3155 7.57498 TIMING: 985000 CPU: 3112.31, 0.00316059/step Wall: 3112.31, 0.00316059/step, 3.52494 hours remaining, 233.265625 MB of memory in use. ENERGY: 985000 4126.5723 20546.2235 14550.1975 246.4392 -202986.7821 2464.6067 0.0000 0.0000 51686.2325 -109366.5102 297.0415 -161052.7428 -109006.1326 298.6895 -279.5348 -255.3902 761163.0872 17.0254 16.6455 PRESSURE: 985200 130.963 -60.2864 61.1536 -60.2859 112.867 4.06175 61.1539 4.06246 257.064 GPRESSURE: 985200 172.49 -119.188 117.403 -61.9038 201.141 -69.0477 56.093 1.89922 221.292 PRESSAVG: 985200 -29.6674 -29.0871 1.01763 -29.087 17.9627 11.1422 1.01771 11.1423 -9.90311 GPRESSAVG: 985200 -30.0942 -26.7121 2.07118 -33.5926 18.9418 10.1369 3.21354 13.0945 -10.3962 TIMING: 985200 CPU: 3112.94, 0.003152/step Wall: 3112.94, 0.003152/step, 3.51518 hours remaining, 233.265625 MB of memory in use. ENERGY: 985200 4005.7170 20456.6450 14487.0903 227.9722 -203524.2213 2770.8519 0.0000 0.0000 51884.9105 -109691.0344 298.1833 -161575.9449 -109336.0394 298.4095 166.9647 198.3080 759970.6420 -7.2026 -7.1829 PRESSURE: 985400 204.642 124.247 66.4018 124.248 16.6492 -24.2801 66.4011 -24.2804 -322.941 GPRESSURE: 985400 247.349 28.1439 -17.9653 92.86 34.229 -186.113 136.319 -9.50201 -285.07 PRESSAVG: 985400 -16.4337 36.5674 33.4662 36.5674 3.36702 9.48059 33.4662 9.48053 13.2502 GPRESSAVG: 985400 -16.0868 37.2554 31.4509 36.7947 3.33675 9.93252 33.2497 6.72518 13.7793 TIMING: 985400 CPU: 3113.58, 0.00317765/step Wall: 3113.58, 0.00317765/step, 3.54361 hours remaining, 233.265625 MB of memory in use. ENERGY: 985400 4011.2326 20547.5868 14530.1031 230.0028 -203222.1986 2577.5446 0.0000 0.0000 51699.3330 -109626.3957 297.1168 -161325.7287 -109276.2506 298.6580 -33.8835 -1.1639 759899.3059 0.0612 0.3431 PRESSURE: 985600 51.6325 238.044 -99.793 238.045 55.2766 -52.7684 -99.7929 -52.7687 159.93 GPRESSURE: 985600 221.787 230.736 -35.757 193.382 13.5931 -88.1304 -104.375 -76.7403 91.1203 PRESSAVG: 985600 14.9512 -15.1159 3.32691 -15.116 -5.43994 -12.8209 3.32694 -12.8209 -7.7241 GPRESSAVG: 985600 15.301 -16.2791 4.72877 -13.8044 -5.8438 -12.7432 3.59392 -12.4365 -7.94181 TIMING: 985600 CPU: 3114.21, 0.00314653/step Wall: 3114.21, 0.00314653/step, 3.50873 hours remaining, 233.265625 MB of memory in use. ENERGY: 985600 3979.2462 20659.1297 14439.8631 246.5073 -203595.9886 2668.3810 0.0000 0.0000 51848.2902 -109754.5711 297.9728 -161602.8613 -109385.1533 298.8776 88.9464 108.8335 760640.1588 0.5957 0.5051 PRESSURE: 985800 320.427 75.3627 -162.188 75.3631 403.371 16.3129 -162.189 16.313 273.832 GPRESSURE: 985800 432.645 76.9311 -71.8178 112.268 387.21 -0.804304 -63.1151 -2.54594 266.595 PRESSAVG: 985800 32.2782 -36.7979 26.3324 -36.7979 -34.8318 84.1607 26.3324 84.1607 0.659144 GPRESSAVG: 985800 33.4746 -35.5861 26.6631 -37.309 -35.5516 83.833 25.6687 84.2518 -0.306735 TIMING: 985800 CPU: 3114.84, 0.00315472/step Wall: 3114.84, 0.00315472/step, 3.51769 hours remaining, 233.265625 MB of memory in use. ENERGY: 985800 3983.2323 20441.4330 14465.7694 258.4379 -203707.8175 2962.9731 0.0000 0.0000 51914.0363 -109681.9355 298.3507 -161595.9718 -109318.0473 298.6233 332.5435 362.1500 761157.6129 -0.6315 -0.7946 PRESSURE: 986000 -19.6694 -188.095 -91.5877 -188.095 113.899 -281.707 -91.5873 -281.707 -200.828 GPRESSURE: 986000 43.2701 -169.72 -133.578 -51.3797 153.056 -173.965 -52.6569 -112.267 -212.577 PRESSAVG: 986000 12.8734 -17.3336 -7.75095 -17.3336 -14.6907 13.7727 -7.75097 13.7727 -13.9143 GPRESSAVG: 986000 11.496 -18.4742 -9.46095 -17.333 -14.6271 14.5612 -6.62304 13.9268 -12.5126 TIMING: 986000 CPU: 3115.47, 0.00313609/step Wall: 3115.47, 0.00313609/step, 3.49674 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: 986000 3993.3366 20623.8471 14452.2215 259.2055 -203661.2389 2677.6316 0.0000 0.0000 52057.7244 -109597.2721 299.1765 -161654.9965 -109228.8590 299.0476 -35.5327 -5.4171 760673.1845 -5.2439 -5.2146 PRESSURE: 986200 -87.0843 -23.0984 137.585 -23.0997 150.627 -158.305 137.585 -158.305 496.059 GPRESSURE: 986200 51.2756 39.5927 172.656 13.0868 139.354 -144.487 42.6631 -71.126 457.29 PRESSAVG: 986200 55.2675 -28.6948 -9.89392 -28.6948 25.128 -24.9083 -9.89389 -24.9083 4.18716 GPRESSAVG: 986200 55.9273 -29.3927 -9.63049 -27.5261 25.3577 -23.7912 -9.85878 -23.4645 3.1763 TIMING: 986200 CPU: 3116.1, 0.00313629/step Wall: 3116.1, 0.00313629/step, 3.49679 hours remaining, 233.503906 MB of memory in use. ENERGY: 986200 3891.5744 20551.0261 14461.0967 234.3751 -203671.4926 2701.3733 0.0000 0.0000 52164.6910 -109667.3560 299.7912 -161832.0471 -109302.5192 299.2847 186.5340 215.9730 761643.3392 28.1942 28.1538 PRESSURE: 986400 -146.445 -1.74793 159.593 -1.74772 -300.892 -40.4214 159.593 -40.4228 168.999 GPRESSURE: 986400 -138.461 -23.348 191.162 3.27512 -167.708 -36.112 231.419 60.6554 111.157 PRESSAVG: 986400 -29.4507 37.7928 -33.6918 37.7929 56.3574 39.2939 -33.6918 39.2938 -1.28447 GPRESSAVG: 986400 -29.7867 38.0418 -32.1411 36.4628 55.5115 37.7802 -36.244 37.3611 -0.476429 TIMING: 986400 CPU: 3116.73, 0.00316622/step Wall: 3116.73, 0.00316622/step, 3.52999 hours remaining, 233.503906 MB of memory in use. ENERGY: 986400 3931.8679 20554.6124 14493.9967 242.1112 -203413.1328 2623.6458 0.0000 0.0000 51859.4490 -109707.4499 298.0370 -161566.8988 -109348.7908 298.7653 -92.7793 -65.0035 763283.2483 8.5407 8.4161 PRESSURE: 986600 -20.977 -51.9231 2.37471 -51.9232 -347.115 -145.65 2.37471 -145.65 -105.415 GPRESSURE: 986600 -93.3262 -62.5036 -14.6526 -153.84 -250.729 -118.855 -62.9164 -170.351 -55.6826 PRESSAVG: 986600 -32.8993 59.7008 -14.2764 59.7008 20.8165 -36.3653 -14.2764 -36.3653 -17.7054 GPRESSAVG: 986600 -32.3704 59.6999 -14.858 61.1927 20.3294 -36.6751 -14.2284 -35.2684 -17.6115 TIMING: 986600 CPU: 3117.37, 0.00318515/step Wall: 3117.37, 0.00318515/step, 3.55091 hours remaining, 233.503906 MB of memory in use. ENERGY: 986600 3990.7653 20501.8995 14505.5924 230.6946 -203796.5618 2844.5055 0.0000 0.0000 52020.8830 -109702.2214 298.9647 -161723.1045 -109329.0190 298.9567 -157.8354 -133.2460 763648.2905 -9.9294 -9.8841 PRESSURE: 986800 5.97277 -62.0321 -140.962 -62.0318 239.179 50.9195 -140.963 50.9189 355.298 GPRESSURE: 986800 54.8996 -105.092 -50.8633 49.6867 348.433 50.9885 40.2771 116.696 267.602 PRESSAVG: 986800 10.381 10.2902 20.6969 10.2902 -8.33073 -64.5207 20.6968 -64.5206 -5.8701 GPRESSAVG: 986800 9.23752 9.67331 20.4129 7.86992 -6.34329 -64.1249 23.1172 -64.4704 -6.48411 TIMING: 986800 CPU: 3118, 0.00315842/step Wall: 3118, 0.00315842/step, 3.52094 hours remaining, 233.503906 MB of memory in use. ENERGY: 986800 4062.2601 20581.7347 14412.6173 239.5269 -203871.6795 3114.3754 0.0000 0.0000 51948.7774 -109512.3877 298.5503 -161461.1651 -109148.9081 298.9635 200.1501 223.6450 762270.6313 -1.2733 -1.1966 PRESSURE: 987000 -279.856 73.4463 -90.6704 73.446 87.5379 -8.19389 -90.6701 -8.19338 -143.639 GPRESSURE: 987000 -195.806 0.533088 -28.157 14.4327 32.0787 -47.8303 -170.078 -24.7837 -107.925 PRESSAVG: 987000 -42.8636 -20.1707 -44.2794 -20.1707 30.3341 -26.5169 -44.2794 -26.5168 -2.28517 GPRESSAVG: 987000 -43.2894 -20.1974 -45.1918 -16.6635 29.4915 -25.7739 -44.6374 -27.744 -1.14967 TIMING: 987000 CPU: 3118.63, 0.00317139/step Wall: 3118.63, 0.00317139/step, 3.53522 hours remaining, 233.503906 MB of memory in use. ENERGY: 987000 3954.3508 20486.3352 14552.2169 264.3438 -203809.3747 2783.3923 0.0000 0.0000 52184.4003 -109584.3355 299.9045 -161768.7357 -109213.5799 299.2032 -111.9855 -90.5509 763194.3058 -4.9382 -4.9825 PRESSURE: 987200 -150.926 -5.91862 -18.783 -5.91819 75.4931 -22.1282 -18.7833 -22.1287 -282.375 GPRESSURE: 987200 -94.8075 64.7067 14.8791 -54.5419 77.291 6.96061 58.6595 -30.3051 -266.901 PRESSAVG: 987200 -10.7596 -24.0103 -30.1382 -24.0103 38.5473 -6.83839 -30.1383 -6.83842 1.04218 GPRESSAVG: 987200 -10.3643 -23.1252 -30.2323 -25.3798 39.4713 -6.69764 -29.662 -5.44536 0.00337288 TIMING: 987200 CPU: 3119.26, 0.0031659/step Wall: 3119.26, 0.0031659/step, 3.52893 hours remaining, 233.503906 MB of memory in use. ENERGY: 987200 4117.5480 20633.8212 14493.3619 239.3767 -203428.7832 2626.8421 0.0000 0.0000 52092.2689 -109225.5644 299.3750 -161317.8333 -108872.2324 299.5930 -119.2693 -94.8059 762215.7188 9.6100 9.7035 PRESSURE: 987400 254.685 -47.431 -26.7615 -47.4319 72.2076 26.7814 -26.7606 26.7823 195.304 GPRESSURE: 987400 226.778 -97.8915 -95.444 -123.282 186.354 84.2853 1.48804 6.39053 182.966 PRESSAVG: 987400 -85.6573 11.5312 -5.0934 11.5312 59.4834 -48.1668 -5.09339 -48.1668 10.5206 GPRESSAVG: 987400 -85.0969 10.2449 -4.78286 12.025 58.4418 -46.3673 -6.0609 -48.5554 10.7225 TIMING: 987400 CPU: 3119.89, 0.00314971/step Wall: 3119.89, 0.00314971/step, 3.5107 hours remaining, 233.503906 MB of memory in use. ENERGY: 987400 4055.1575 20643.3351 14489.3247 264.9819 -204166.4782 3263.0349 0.0000 0.0000 52207.6354 -109243.0087 300.0380 -161450.6441 -108880.6257 299.6754 174.0654 198.6991 761834.7665 -5.2177 -5.3109 PRESSURE: 987600 422.706 140.883 155.424 140.882 172.057 -166.647 155.424 -166.646 95.0444 GPRESSURE: 987600 457.186 179.522 242 203.886 208.044 -155.223 209.566 -93.6369 107.258 PRESSAVG: 987600 -0.260728 24.4497 13.2534 24.4498 40.9928 -17.6361 13.2534 -17.6361 9.02982 GPRESSAVG: 987600 0.238529 26.1344 11.8935 23.1542 40.4615 -18.6218 15.0807 -18.3636 9.69943 TIMING: 987600 CPU: 3120.52, 0.00313923/step Wall: 3120.52, 0.00313923/step, 3.49885 hours remaining, 233.503906 MB of memory in use. ENERGY: 987600 4072.0084 20593.2355 14464.9287 231.9915 -203950.3000 3067.6679 0.0000 0.0000 52248.6463 -109271.8216 300.2737 -161520.4679 -108913.7084 299.7725 229.9356 257.4961 762014.9681 16.5873 16.7998 PRESSURE: 987800 182.652 160.11 23.94 160.11 12.7816 113.893 23.9398 113.894 -84.4185 GPRESSURE: 987800 55.8608 83.7349 -44.6726 -6.85536 203.413 92.9073 145.041 43.3162 -85.4069 PRESSAVG: 987800 37.2799 -42.9381 -16.1463 -42.9381 -15.5404 -54.4401 -16.1462 -54.4401 32.2354 GPRESSAVG: 987800 37.0242 -44.89 -16.6969 -40.4144 -14.0263 -53.6954 -16.132 -56.9934 30.7541 TIMING: 987800 CPU: 3121.15, 0.00313862/step Wall: 3121.15, 0.00313862/step, 3.49799 hours remaining, 233.503906 MB of memory in use. ENERGY: 987800 4006.5273 20600.8255 14546.3382 237.8379 -203944.6442 3050.4381 0.0000 0.0000 52052.6324 -109450.0449 299.1472 -161502.6773 -109081.0860 299.4890 37.0049 57.9557 762736.6826 17.9917 17.9173 PRESSURE: 988000 -145.49 -59.7617 33.8402 -59.7623 -88.0536 -122.412 33.84 -122.414 -60.5206 GPRESSURE: 988000 -137.342 -152.195 69.0633 -15.6984 -1.5204 -126.014 29.984 -136.995 -53.1805 PRESSAVG: 988000 -25.5729 -1.9331 49.7719 -1.93309 32.1022 -75.8935 49.7718 -75.8934 -8.94102 GPRESSAVG: 988000 -25.4057 -1.43772 50.653 -2.63269 30.9046 -78.3435 48.6974 -72.9401 -8.12875 TIMING: 988000 CPU: 3121.77, 0.00312279/step Wall: 3121.77, 0.00312279/step, 3.48017 hours remaining, 233.503906 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: 988000 4015.5597 20461.6966 14502.7439 264.7851 -203424.3258 2769.6226 0.0000 0.0000 51916.9872 -109492.9308 298.3676 -161409.9179 -109134.0033 299.1790 -98.0215 -64.0144 763371.2417 -0.8039 -0.8766 PRESSURE: 988200 -239.573 8.31747 -99.3922 8.31665 -16.0898 -227.92 -99.3924 -227.921 -294.207 GPRESSURE: 988200 -204.826 86.4264 -78.0117 -12.5982 -9.47569 -144.066 -143.734 -121.297 -253.561 PRESSAVG: 988200 -10.7235 -39.2278 -18.692 -39.2279 12.0263 -66.6771 -18.6919 -66.6771 11.6346 GPRESSAVG: 988200 -10.1708 -37.7586 -17.5777 -39.8263 10.6289 -65.3064 -19.1482 -66.6517 12.4389 TIMING: 988200 CPU: 3122.4, 0.00312482/step Wall: 3122.4, 0.00312482/step, 3.48226 hours remaining, 233.503906 MB of memory in use. ENERGY: 988200 3996.0552 20498.9684 14490.4555 250.9091 -203395.7264 2634.1303 0.0000 0.0000 51941.3031 -109583.9048 298.5074 -161525.2079 -109212.4956 298.7807 -183.2899 -155.9542 762739.1644 4.3125 4.2990 LDB: ============= START OF LOAD BALANCING ============== 3134.93 LDB: ============== END OF LOAD BALANCING =============== 3134.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3134.93 LDB: ============= START OF LOAD BALANCING ============== 3135.25 LDB: Largest compute 7077 load 0.031304 is 16.0% of average load 0.195335 LDB: Average compute 0.004391 is 2.2% of average load 0.195335 LDB: TIME 3135.25 LOAD: AVG 0.195335 MAX 0.216819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.875 MB LDB: TIME 3135.25 LOAD: AVG 0.195335 MAX 0.216819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.875 MB LDB: TIME 3135.25 LOAD: AVG 0.195335 MAX 0.216819 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.875 MB LDB: ============== END OF LOAD BALANCING =============== 3135.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3135.26 PRESSURE: 988400 -200.763 -30.2554 111.102 -30.2563 122.43 -83.5655 111.102 -83.5648 258.788 GPRESSURE: 988400 -134.64 17.3306 112.012 -31.6142 137.004 -133.481 176.163 8.31529 266.724 PRESSAVG: 988400 -8.63672 -21.4496 19.2059 -21.4497 9.23131 -28.9204 19.206 -28.9204 -10.5003 GPRESSAVG: 988400 -9.39223 -22.9913 19.5302 -21.2218 10.3965 -28.6856 19.2823 -29.289 -10.7896 TIMING: 988400 CPU: 3123.04, 0.00322123/step Wall: 3123.04, 0.00322123/step, 3.58952 hours remaining, 234.351562 MB of memory in use. ENERGY: 988400 4020.2571 20492.3245 14494.3288 231.4200 -203785.0643 3084.9331 0.0000 0.0000 52007.6184 -109454.1826 298.8885 -161461.8010 -109089.7618 298.9921 60.1518 89.6961 762215.8575 -3.3019 -3.2618 PRESSURE: 988600 168.772 65.5736 -119.18 65.5743 282.578 25.2294 -119.18 25.2296 -132.193 GPRESSURE: 988600 164.597 114.465 -211.374 132.64 347.646 -17.9092 -107.763 -27.2279 -109.628 PRESSAVG: 988600 -5.61974 -38.4275 13.1813 -38.4276 0.220896 -67.2228 13.1814 -67.2229 -4.46759 GPRESSAVG: 988600 -4.97239 -37.9366 11.7643 -39.6032 0.0418902 -66.1806 12.4132 -68.1741 -4.76418 TIMING: 988600 CPU: 3123.68, 0.00316809/step Wall: 3123.68, 0.00316809/step, 3.53013 hours remaining, 234.496094 MB of memory in use. ENERGY: 988600 3983.4077 20525.3894 14552.3858 227.6834 -203424.8427 2596.2729 0.0000 0.0000 52060.7960 -109478.9075 299.1941 -161539.7036 -109114.0740 299.3644 106.3855 134.2052 761516.8395 -3.2888 -3.2316 PRESSURE: 988800 -57.483 -86.8481 103.908 -86.848 174.819 66.7736 103.909 66.7734 20.5521 GPRESSURE: 988800 58.6887 -140.071 60.7178 -231.219 129.735 176.735 124.713 38.9716 38.7711 PRESSAVG: 988800 -1.63597 -69.0243 -10.5901 -69.0244 -4.46063 -27.8679 -10.5901 -27.8679 1.59503 GPRESSAVG: 988800 -1.85199 -67.959 -10.7994 -68.6727 -3.984 -27.5538 -10.5291 -29.7774 0.918263 TIMING: 988800 CPU: 3124.31, 0.00316098/step Wall: 3124.31, 0.00316098/step, 3.52204 hours remaining, 234.496094 MB of memory in use. ENERGY: 988800 4032.1082 20585.4923 14357.2383 259.2616 -203581.8764 2966.1464 0.0000 0.0000 51999.1454 -109382.4842 298.8398 -161381.6296 -109024.0206 299.1352 45.9628 75.7315 763495.2541 -1.5005 -1.6392 PRESSURE: 989000 -93.3258 112.817 6.04009 112.818 72.6688 -54.0628 6.03976 -54.0627 131.563 GPRESSURE: 989000 -66.2846 96.1576 23.8279 116.996 66.3245 53.9536 -70.7601 -106.987 191.471 PRESSAVG: 989000 -13.7001 -22.1369 52.2726 -22.1369 20.4911 -70.5698 52.2726 -70.5698 -8.1859 GPRESSAVG: 989000 -12.4358 -23.5088 52.5933 -22.2652 20.1108 -71.6156 53.0581 -68.8905 -8.48069 TIMING: 989000 CPU: 3124.94, 0.0031461/step Wall: 3124.94, 0.0031461/step, 3.50528 hours remaining, 234.496094 MB of memory in use. ENERGY: 989000 4049.3518 20595.9643 14560.0000 258.2511 -203736.5705 2785.3217 0.0000 0.0000 52110.7095 -109376.9722 299.4810 -161487.6817 -109015.3541 299.1828 36.9688 63.8371 761203.3955 -0.4650 -0.2686 PRESSURE: 989200 -55.8555 -12.0738 11.9811 -12.0738 -28.4375 -22.8219 11.9812 -22.8224 233.237 GPRESSURE: 989200 -84.821 36.5537 -29.6622 3.24784 28.9131 -44.5856 104.164 7.79393 285.288 PRESSAVG: 989200 1.23374 -22.341 9.11389 -22.341 34.5655 -14.4566 9.11391 -14.4566 3.40216 GPRESSAVG: 989200 -0.25591 -21.0964 8.66289 -22.0339 35.7728 -15.4809 8.32468 -12.9047 3.99401 TIMING: 989200 CPU: 3125.57, 0.00314406/step Wall: 3125.57, 0.00314406/step, 3.50283 hours remaining, 234.496094 MB of memory in use. ENERGY: 989200 3929.8288 20409.4136 14427.5555 250.2731 -203232.7523 2797.4406 0.0000 0.0000 52082.2826 -109335.9582 299.3176 -161418.2408 -108970.6573 298.8057 49.6480 76.4599 762443.3771 13.0671 13.1703 PRESSURE: 989400 326.144 -144.396 -61.5884 -144.395 -36.3843 207.592 -61.5882 207.592 427.22 GPRESSURE: 989400 273.564 -159.835 -99.6281 -209.028 122.417 202.458 -0.922645 111.411 394.198 PRESSAVG: 989400 -84.7047 -14.2894 57.4438 -14.2894 89.8863 -18.435 57.4438 -18.4351 -3.61232 GPRESSAVG: 989400 -85.0669 -14.8367 58.3967 -14.6355 91.0717 -17.1401 58.1564 -18.9107 -4.50517 TIMING: 989400 CPU: 3126.2, 0.00313707/step Wall: 3126.2, 0.00313707/step, 3.49487 hours remaining, 234.496094 MB of memory in use. ENERGY: 989400 4008.6609 20424.6746 14518.5947 248.3604 -203373.2770 2725.7318 0.0000 0.0000 52098.0377 -109349.2169 299.4081 -161447.2546 -108977.9269 299.2150 238.9931 263.3929 763120.5703 0.5231 0.4999 PRESSURE: 989600 -207.553 -121.714 238.346 -121.714 -2.08171 48.9173 238.346 48.918 -69.7378 GPRESSURE: 989600 -116.862 -212.201 223.958 -118.152 -19.2483 -14.8689 209.735 18.763 -55.9152 PRESSAVG: 989600 -47.6887 4.49748 37.9714 4.49744 -22.5885 -15.0066 37.9714 -15.0066 -6.04843 GPRESSAVG: 989600 -46.6417 3.67491 36.1871 4.06914 -24.7358 -15.737 36.5519 -15.4745 -5.36137 TIMING: 989600 CPU: 3126.82, 0.00311972/step Wall: 3126.82, 0.00311972/step, 3.47537 hours remaining, 234.496094 MB of memory in use. ENERGY: 989600 4040.5616 20394.7567 14419.6585 253.1970 -203087.8456 2490.2745 0.0000 0.0000 52041.5770 -109447.8202 299.0837 -161489.3972 -109081.4299 298.8665 -93.1242 -64.0083 764226.1165 -25.4419 -25.5796 PRESSURE: 989800 45.7434 2.69459 -160.205 2.69527 1.93374 46.9187 -160.205 46.9194 -6.94516 GPRESSURE: 989800 152.054 -35.7798 -227.32 163.882 -44.1512 20.4851 -35.3792 50.724 -10.2069 PRESSAVG: 989800 -38.6288 -45.3447 -8.23148 -45.3447 74.1061 30.419 -8.23149 30.4189 -23.2924 GPRESSAVG: 989800 -39.292 -45.0743 -7.38793 -46.451 74.9126 30.2214 -6.50683 30.3589 -22.9189 TIMING: 989800 CPU: 3127.45, 0.00314152/step Wall: 3127.45, 0.00314152/step, 3.49948 hours remaining, 234.496094 MB of memory in use. ENERGY: 989800 4025.4141 20537.1047 14491.3945 250.9554 -203347.7347 2747.1991 0.0000 0.0000 51805.5328 -109490.1341 297.7271 -161295.6669 -109132.3904 298.7871 13.5773 32.5653 763105.0070 4.0616 4.2339 PRESSURE: 990000 -64.2413 151.519 110.521 151.518 -167.843 -145.071 110.522 -145.071 82.4502 GPRESSURE: 990000 -51.8954 63.6089 144.087 61.5325 -108.644 -182.413 210.815 7.75603 84.1282 PRESSAVG: 990000 -38.2047 -28.097 -33.0867 -28.097 49.6977 23.6935 -33.0867 23.6935 7.88396 GPRESSAVG: 990000 -38.5726 -29.0242 -34.1285 -27.6013 48.8941 23.5092 -32.1505 23.3876 8.61394 TIMING: 990000 CPU: 3128.08, 0.00317093/step Wall: 3128.08, 0.00317093/step, 3.53207 hours remaining, 234.496094 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: 990000 4017.2917 20469.6529 14459.4292 257.3891 -203515.6695 2902.4859 0.0000 0.0000 51658.6221 -109750.7986 296.8828 -161409.4207 -109398.9050 298.7080 -49.8780 -25.4704 763498.2663 6.4590 6.3118 PRESSURE: 990200 -351.474 94.1775 -235.928 94.1779 -180.127 165.757 -235.928 165.757 255.942 GPRESSURE: 990200 -310.234 3.67587 -289.503 158.313 -105.209 267.744 -278.718 83.9061 209.996 PRESSAVG: 990200 -20.894 -21.7109 9.15977 -21.7109 23.3262 25.1303 9.15982 25.1304 -2.57577 GPRESSAVG: 990200 -21.197 -20.609 10.4389 -22.1499 24.9242 25.9802 7.21933 26.0104 -3.39215 TIMING: 990200 CPU: 3128.71, 0.00314735/step Wall: 3128.71, 0.00314735/step, 3.50562 hours remaining, 234.496094 MB of memory in use. ENERGY: 990200 4026.9629 20482.3040 14434.2227 253.7304 -203401.3389 2661.7536 0.0000 0.0000 51887.5850 -109654.7804 298.1987 -161542.3653 -109297.2017 298.4270 -91.8864 -68.4823 762373.3562 -0.0479 0.1117 PRESSURE: 990400 -400.252 220.809 56.6754 220.808 -450.197 -64.4433 56.6754 -64.4423 -233.676 GPRESSURE: 990400 -345.488 237.561 -31.2316 65.5198 -353.426 -108.577 98.7709 -97.1009 -301.736 PRESSAVG: 990400 -21.9171 4.96319 6.37875 4.96322 -15.7175 42.8381 6.37877 42.8382 3.34893 GPRESSAVG: 990400 -20.9213 4.40579 7.32796 6.85707 -16.5124 43.0078 5.06385 40.7526 2.5345 TIMING: 990400 CPU: 3129.34, 0.00315189/step Wall: 3129.34, 0.00315189/step, 3.51051 hours remaining, 234.496094 MB of memory in use. ENERGY: 990400 3987.9994 20482.9515 14422.5083 238.5987 -203041.0812 2339.5865 0.0000 0.0000 51691.3080 -109878.1288 297.0707 -161569.4368 -109516.3095 298.1723 -361.3749 -333.5498 762625.3631 -11.4286 -11.6331 PRESSURE: 990600 160.239 -107.717 86.269 -107.717 369.486 -127.225 86.2695 -127.225 267.396 GPRESSURE: 990600 214.582 -130.922 -5.8627 -173.479 462.146 -148.795 154.329 -13.8354 189.982 PRESSAVG: 990600 -21.0892 7.88008 -1.64025 7.88006 23.2687 -16.0974 -1.64031 -16.0974 -15.8484 GPRESSAVG: 990600 -21.8613 7.66604 -3.12117 4.15126 23.3299 -17.4834 -1.23029 -12.1045 -15.2709 TIMING: 990600 CPU: 3129.97, 0.00314868/step Wall: 3129.97, 0.00314868/step, 3.50675 hours remaining, 234.496094 MB of memory in use. ENERGY: 990600 4069.7835 20491.8096 14480.4320 240.2364 -203795.3815 3023.5386 0.0000 0.0000 51723.3288 -109766.2527 297.2547 -161489.5815 -109414.4776 297.9623 265.7068 288.9032 759755.4312 -4.5563 -4.6008 PRESSURE: 990800 408.514 -32.6039 -40.3178 -32.6037 7.45492 188.224 -40.3188 188.224 66.5247 GPRESSURE: 990800 329.977 -56.5577 -71.0898 21.8051 95.4003 175.1 -12.0569 174.899 131.258 PRESSAVG: 990800 9.59597 35.8524 -14.985 35.8524 8.61614 -9.14534 -14.9849 -9.1453 -3.21059 GPRESSAVG: 990800 9.52461 33.8843 -14.2223 37.8745 8.18932 -8.58437 -12.2909 -11.781 -2.52172 TIMING: 990800 CPU: 3130.6, 0.00316542/step Wall: 3130.6, 0.00316542/step, 3.52522 hours remaining, 234.496094 MB of memory in use. ENERGY: 990800 3932.8705 20478.9605 14490.0684 267.9400 -203915.9974 2728.9974 0.0000 0.0000 52251.1083 -109766.0523 300.2878 -162017.1605 -109407.2033 298.3063 160.8312 185.5450 760008.5837 5.0005 5.0641 PRESSURE: 991000 274.466 110.719 43.7572 110.72 280.773 79.3009 43.7564 79.3017 188.291 GPRESSURE: 991000 378.485 17.4702 64.1437 203.97 281.89 51.5582 -65.4452 126.918 189.162 PRESSAVG: 991000 32.3059 58.4249 35.5914 58.4249 -26.4964 6.66203 35.5914 6.66202 15.8981 GPRESSAVG: 991000 30.8122 61.0521 33.7117 58.6813 -25.6762 6.38469 34.1198 7.50571 15.7722 TIMING: 991000 CPU: 3131.24, 0.00315478/step Wall: 3131.24, 0.00315478/step, 3.5132 hours remaining, 234.496094 MB of memory in use. ENERGY: 991000 3920.4600 20619.5630 14405.0226 253.0217 -203758.3492 2832.3025 0.0000 0.0000 51840.5451 -109887.4343 297.9283 -161727.9794 -109528.7220 298.6886 247.8434 283.1790 758750.0283 7.2359 6.9694 PRESSURE: 991200 -228.912 -114.229 11.6389 -114.229 -47.7791 -115.197 11.6391 -115.196 -130.084 GPRESSURE: 991200 -162.538 -92.1394 15.7871 -47.5576 -41.5682 -38.5104 72.24 -123.641 -101.129 PRESSAVG: 991200 -38.6739 52.1279 68.9765 52.128 23.0473 -10.6533 68.9765 -10.6533 -6.85942 GPRESSAVG: 991200 -38.2259 53.2321 69.781 52.2289 22.7655 -10.0477 69.8271 -10.6898 -6.98213 TIMING: 991200 CPU: 3131.87, 0.00316577/step Wall: 3131.87, 0.00316577/step, 3.52526 hours remaining, 234.496094 MB of memory in use. ENERGY: 991200 4056.2642 20355.1971 14477.1339 248.6567 -203469.7890 2579.7395 0.0000 0.0000 51738.1201 -110014.6775 297.3397 -161752.7975 -109658.5482 298.0892 -135.5917 -101.7449 760879.4995 -7.4953 -7.4808 PRESSURE: 991400 -35.9206 -10.5968 -109.002 -10.5967 -382.503 139.601 -109.003 139.601 -76.6986 GPRESSURE: 991400 -16.7179 -19.2195 -108.177 -28.958 -329.871 160.672 -84.9105 140.199 -65.6624 PRESSAVG: 991400 -10.5058 59.0876 29.2279 59.0875 51.3533 42.0929 29.2279 42.093 12.7023 GPRESSAVG: 991400 -10.199 58.9139 30.6611 57.3501 51.9582 41.6506 28.1422 41.7953 12.5646 TIMING: 991400 CPU: 3132.5, 0.00315294/step Wall: 3132.5, 0.00315294/step, 3.5108 hours remaining, 234.496094 MB of memory in use. ENERGY: 991400 3927.2877 20610.0553 14398.4628 220.6696 -203418.9179 2491.3257 0.0000 0.0000 51788.8028 -109982.3140 297.6310 -161771.1168 -109610.1793 297.7961 -165.0407 -137.4172 760084.4837 17.8499 18.1079 PRESSURE: 991600 -266.79 -66.1818 -66.2227 -66.1814 -191.649 77.2508 -66.2227 77.2501 -323.7 GPRESSURE: 991600 -258.036 -80.5337 19.1841 -124.386 -150.754 106.915 -132.268 91.8228 -276.494 PRESSAVG: 991600 3.85101 14.9814 0.36283 14.9814 11.7225 5.48543 0.362803 5.48543 7.27683 GPRESSAVG: 991600 4.66376 13.494 0.0502353 14.7661 10.7219 5.91893 2.04347 5.46137 7.27851 TIMING: 991600 CPU: 3133.13, 0.00317222/step Wall: 3133.13, 0.00317222/step, 3.5321 hours remaining, 234.496094 MB of memory in use. ENERGY: 991600 3983.8630 20470.7575 14422.7287 233.9877 -203289.0670 2451.3566 0.0000 0.0000 51947.2249 -109779.1486 298.5414 -161726.3735 -109408.8408 298.3589 -260.7128 -228.4279 759656.3473 7.6168 7.5547 PRESSURE: 991800 -170.719 -137.176 -18.1147 -137.177 129.693 -64.1401 -18.1139 -64.1401 -207.238 GPRESSURE: 991800 -130.478 -214.921 -89.8594 -72.738 66.079 -100.966 -9.3461 -146.839 -96.1683 PRESSAVG: 991800 -31.4501 2.79861 -0.637603 2.79859 48.0221 29.706 -0.637616 29.7061 -2.66376 GPRESSAVG: 991800 -32.8708 3.95373 0.388473 3.287 48.3749 30.3567 -4.83143 29.041 -1.76627 TIMING: 991800 CPU: 3133.77, 0.00316168/step Wall: 3133.77, 0.00316168/step, 3.52018 hours remaining, 234.496094 MB of memory in use. ENERGY: 991800 3955.2166 20338.4078 14477.2351 251.5780 -202816.1920 2161.8696 0.0000 0.0000 51711.6200 -109920.2649 297.1874 -161631.8849 -109562.1044 298.0915 -82.7546 -53.5223 761827.1902 4.6361 4.5793 PRESSURE: 992000 180.556 56.9014 -58.7409 56.9022 -49.3458 81.7164 -58.7407 81.7169 132.581 GPRESSURE: 992000 190.902 6.91179 -118.337 10.0354 31.6297 87.5575 -21.8235 32.88 132.884 PRESSAVG: 992000 -13.6044 -8.59955 8.82553 -8.5995 35.9396 33.4415 8.82551 33.4415 -3.26148 GPRESSAVG: 992000 -12.6084 -9.23508 6.99232 -7.79947 35.574 33.0766 11.3212 33.6289 -4.12368 TIMING: 992000 CPU: 3134.4, 0.00316997/step Wall: 3134.4, 0.00316997/step, 3.52923 hours remaining, 234.496094 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: 992000 3983.6413 20240.3229 14523.4818 248.5250 -203179.9779 2552.4782 0.0000 0.0000 51695.0107 -109936.5179 297.0919 -161631.5286 -109580.2707 297.5710 87.9302 118.4719 760010.0638 6.3579 6.2807 PRESSURE: 992200 -10.6081 103.145 -176.396 103.145 196.924 260.986 -176.395 260.985 74.9149 GPRESSURE: 992200 21.3806 131.853 -124.515 85.7138 198.02 270.487 -105.281 154.326 127.55 PRESSAVG: 992200 -65.1096 34.0364 5.31453 34.0363 50.4171 37.4817 5.31453 37.4818 7.49876 GPRESSAVG: 992200 -65.0998 33.9213 6.51155 35.3353 49.5839 37.6599 5.5494 37.8586 8.09152 TIMING: 992200 CPU: 3135.03, 0.00313659/step Wall: 3135.03, 0.00313659/step, 3.4919 hours remaining, 234.496094 MB of memory in use. ENERGY: 992200 3942.1820 20355.6465 14436.5796 239.7551 -203699.5672 2823.6602 0.0000 0.0000 51939.8569 -109961.8870 298.4991 -161901.7439 -109601.7537 297.7247 87.0768 115.6503 761266.4195 -2.3979 -2.4748 LDB: ============= START OF LOAD BALANCING ============== 3147.56 LDB: ============== END OF LOAD BALANCING =============== 3147.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3147.56 LDB: ============= START OF LOAD BALANCING ============== 3147.88 LDB: Largest compute 7031 load 0.030593 is 15.7% of average load 0.195391 LDB: Average compute 0.004360 is 2.2% of average load 0.195391 LDB: TIME 3147.88 LOAD: AVG 0.195391 MAX 0.211473 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.391 MB LDB: TIME 3147.88 LOAD: AVG 0.195391 MAX 0.211473 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: TIME 3147.88 LOAD: AVG 0.195391 MAX 0.211473 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: ============== END OF LOAD BALANCING =============== 3147.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3147.89 PRESSURE: 992400 -105.223 -34.4334 137.378 -34.4342 -353.352 89.2962 137.378 89.2975 281.473 GPRESSURE: 992400 -131.473 -139.47 151.636 -39.7493 -299.124 139.963 167.189 76.5256 319.882 PRESSAVG: 992400 30.6797 32.662 -36.9815 32.6619 53.0281 36.5631 -36.9815 36.5631 0.463215 GPRESSAVG: 992400 31.0441 32.1787 -37.5427 31.4088 53.9704 35.5809 -36.04 35.864 -0.718909 TIMING: 992400 CPU: 3135.67, 0.00321122/step Wall: 3135.67, 0.00321122/step, 3.5748 hours remaining, 232.675781 MB of memory in use. ENERGY: 992400 3959.5990 20349.0549 14471.4973 239.4140 -203366.1861 2598.0932 0.0000 0.0000 51698.4734 -110050.0544 297.1118 -161748.5278 -109696.4508 297.9767 -59.0337 -36.9050 762784.1544 28.0570 28.0985 PRESSURE: 992600 116.413 -37.9149 -195.688 -37.9151 -43.8564 -181.095 -195.688 -181.095 137.577 GPRESSURE: 992600 113.961 -50.2979 -169.602 -129.668 -18.5845 -233.134 -195.443 -150.335 189.498 PRESSAVG: 992600 -6.12674 -62.5592 -12.8612 -62.5593 8.0362 25.0582 -12.8612 25.0582 8.36933 GPRESSAVG: 992600 -7.96917 -61.8027 -11.9922 -64.0825 7.83863 25.12 -13.346 26.2333 9.99467 TIMING: 992600 CPU: 3136.3, 0.00314535/step Wall: 3136.3, 0.00314535/step, 3.5013 hours remaining, 232.878906 MB of memory in use. ENERGY: 992600 3922.1790 20360.8541 14476.0913 239.6616 -203557.7847 2757.0385 0.0000 0.0000 51722.1350 -110079.8251 297.2478 -161801.9602 -109728.0499 297.4168 70.0442 94.9582 761124.7601 3.4263 3.2880 PRESSURE: 992800 233.223 -193.886 218.6 -193.885 39.6388 117.652 218.599 117.652 -226.237 GPRESSURE: 992800 273.005 -279.734 98.0211 -135.891 59.1986 115.979 165.389 35.0696 -201.692 PRESSAVG: 992800 -30.7794 -23.4745 -46.8498 -23.4745 34.6997 70.5526 -46.8498 70.5526 -36.1134 GPRESSAVG: 992800 -29.9085 -23.9771 -47.1894 -22.4533 33.9299 68.9615 -48.2838 68.9377 -36.0448 TIMING: 992800 CPU: 3136.93, 0.00314107/step Wall: 3136.93, 0.00314107/step, 3.49636 hours remaining, 232.878906 MB of memory in use. ENERGY: 992800 3938.6273 20357.5498 14465.2999 246.0937 -203426.1279 2705.2478 0.0000 0.0000 51537.1045 -110176.2048 296.1844 -161713.3093 -109828.0268 297.0547 15.5414 43.5038 761678.2185 -10.7310 -10.6745 PRESSURE: 993000 40.865 -30.2353 -20.8317 -30.2348 57.0146 156.208 -20.8316 156.209 -123.772 GPRESSURE: 993000 155.682 -6.07058 37.5509 -30.1635 22.1385 120.13 -68.5195 147.022 -132.534 PRESSAVG: 993000 -30.3853 -17.2401 -44.2423 -17.2401 23.2042 17.4003 -44.2423 17.4004 -22.839 GPRESSAVG: 993000 -30.054 -16.0226 -44.2108 -18.4529 22.9455 19.2991 -44.9459 17.817 -22.8938 TIMING: 993000 CPU: 3137.55, 0.00313046/step Wall: 3137.55, 0.00313046/step, 3.48438 hours remaining, 232.878906 MB of memory in use. ENERGY: 993000 3996.6613 20251.0435 14459.2337 250.9821 -203434.0150 2564.4735 0.0000 0.0000 52078.3951 -109833.2257 299.2953 -161911.6208 -109466.7525 297.8151 -8.6307 15.0955 760787.8881 -10.0067 -10.0008 PRESSURE: 993200 196.907 -11.2508 -97.0499 -11.2505 111.4 -255.298 -97.0505 -255.3 265.465 GPRESSURE: 993200 244.963 -3.36491 -170.027 -8.26384 152.264 -232.771 -84.8772 -202.513 250.282 PRESSAVG: 993200 12.7252 -63.3252 -10.2606 -63.3252 55.4446 11.0301 -10.2605 11.03 -3.32639 GPRESSAVG: 993200 12.4622 -63.5266 -12.1786 -61.2771 55.1709 10.1589 -10.5301 12.0318 -2.9182 TIMING: 993200 CPU: 3138.18, 0.00315738/step Wall: 3138.18, 0.00315738/step, 3.51416 hours remaining, 232.878906 MB of memory in use. ENERGY: 993200 4035.5900 20387.5985 14462.4800 244.6249 -203316.8663 2651.2453 0.0000 0.0000 51940.3122 -109595.0155 298.5017 -161535.3277 -109233.3410 298.4671 191.2574 215.8366 760791.3301 21.6145 21.5716 PRESSURE: 993400 -37.3927 -52.9735 -137.198 -52.9736 -106.901 -22.6401 -137.198 -22.6386 113.496 GPRESSURE: 993400 -0.904229 -46.7557 -41.9922 -97.115 23.3984 33.9236 -22.7767 -83.5392 43.5072 PRESSAVG: 993400 15.3109 -20.1948 -21.6214 -20.1948 20.926 -30.8109 -21.6214 -30.8109 -12.714 GPRESSAVG: 993400 14.3817 -21.792 -18.3745 -19.4981 22.0784 -31.7735 -19.6009 -33.3842 -12.9595 TIMING: 993400 CPU: 3138.82, 0.00315616/step Wall: 3138.82, 0.00315616/step, 3.51263 hours remaining, 232.878906 MB of memory in use. ENERGY: 993400 4020.4588 20484.4004 14376.9802 250.9163 -203238.4783 2602.3598 0.0000 0.0000 51918.7143 -109584.6485 298.3776 -161503.3628 -109235.1587 298.8369 -10.2660 22.0005 762318.6331 7.8409 7.8335 PRESSURE: 993600 195.306 -128.759 134.534 -128.759 326.949 164.452 134.535 164.452 81.5895 GPRESSURE: 993600 153.171 -73.5843 202.086 -25.4451 419.917 78.4403 140.218 278.84 103.189 PRESSAVG: 993600 -30.513 -18.3597 17.3864 -18.3597 84.332 -17.3545 17.3864 -17.3545 -28.4132 GPRESSAVG: 993600 -30.1208 -16.0693 15.617 -20.8728 83.0874 -17.0451 17.1001 -16.1655 -27.6893 TIMING: 993600 CPU: 3139.44, 0.0031471/step Wall: 3139.44, 0.0031471/step, 3.50237 hours remaining, 232.878906 MB of memory in use. ENERGY: 993600 4020.8110 20526.2739 14460.0106 238.6864 -203897.4002 3106.6268 0.0000 0.0000 51951.6099 -109593.3816 298.5666 -161544.9915 -109229.3244 298.6671 201.2815 225.4258 761654.4681 8.4686 8.4258 PRESSURE: 993800 137.174 214.519 -150.157 214.519 112.94 -122.874 -150.157 -122.874 -233.239 GPRESSURE: 993800 279.499 171.274 -142.371 142.594 29.1883 -154.981 -127.535 -201.637 -203.157 PRESSAVG: 993800 -21.5499 -8.4014 -33.18 -8.40139 27.4994 6.15372 -33.18 6.1537 19.9108 GPRESSAVG: 993800 -20.6904 -10.4145 -32.1383 -6.42223 27.8273 6.86814 -32.7114 5.07036 19.2124 TIMING: 993800 CPU: 3140.07, 0.00314766/step Wall: 3140.07, 0.00314766/step, 3.50282 hours remaining, 232.878906 MB of memory in use. ENERGY: 993800 4056.7461 20354.9471 14510.4116 259.1632 -203728.6844 2791.4505 0.0000 0.0000 52056.4019 -109699.5640 299.1689 -161755.9659 -109346.1479 298.4467 5.6249 35.1770 762607.9720 8.6201 8.7831 PRESSURE: 994000 -191.61 14.0485 -157.152 14.0493 -0.853874 132.209 -157.152 132.208 147.471 GPRESSURE: 994000 -24.8846 88.9029 -167.19 -23.7463 -3.99163 112.866 -42.3069 192.784 64.3666 PRESSAVG: 994000 27.1828 -30.1219 -29.7214 -30.1219 15.2021 -28.5476 -29.7214 -28.5476 -6.24169 GPRESSAVG: 994000 26.6441 -27.7911 -29.8851 -29.9957 16.1724 -28.219 -30.4624 -28.7255 -6.46772 TIMING: 994000 CPU: 3140.7, 0.00312379/step Wall: 3140.7, 0.00312379/step, 3.47608 hours remaining, 232.878906 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: 994000 3960.3056 20508.7801 14564.0021 238.6618 -204408.9084 3127.5623 0.0000 0.0000 52112.7706 -109896.8259 299.4928 -162009.5965 -109523.3001 298.8299 -14.9975 11.8301 762380.4933 12.0477 12.1163 PRESSURE: 994200 88.0392 70.168 124.382 70.1681 -232.961 95.299 124.381 95.2988 168.64 GPRESSURE: 994200 15.4172 -68.6328 133.836 37.4044 -96.6045 99.7369 175.088 15.9366 167.961 PRESSAVG: 994200 -4.52552 -7.29788 -55.5204 -7.29787 41.2892 -13.1573 -55.5203 -13.1574 24.8794 GPRESSAVG: 994200 -5.4935 -10.9052 -54.3359 -5.9925 42.0888 -13.9456 -56.4695 -11.1282 24.4447 TIMING: 994200 CPU: 3141.33, 0.00313218/step Wall: 3141.33, 0.00313218/step, 3.48525 hours remaining, 232.878906 MB of memory in use. ENERGY: 994200 3957.4171 20417.6788 14532.6536 248.7969 -203752.9179 2630.4742 0.0000 0.0000 52181.8125 -109784.0849 299.8896 -161965.8974 -109418.1849 298.2766 7.9061 28.9245 762098.0147 20.5477 20.3467 PRESSURE: 994400 89.4874 -151.823 -48.6857 -151.823 -246.423 -64.7477 -48.6863 -64.7481 58.668 GPRESSURE: 994400 71.253 -111.829 -35.7772 -287.31 -207.344 -85.1482 -168.921 -85.8237 123.37 PRESSAVG: 994400 29.6657 -42.978 -59.8739 -42.9779 10.7913 -0.633025 -59.8739 -0.63291 8.47173 GPRESSAVG: 994400 30.5476 -43.6724 -61.1412 -43.8325 8.70157 -0.866855 -58.7439 -0.293444 9.9461 TIMING: 994400 CPU: 3141.95, 0.00313003/step Wall: 3141.95, 0.00313003/step, 3.48268 hours remaining, 232.878906 MB of memory in use. ENERGY: 994400 3973.7055 20620.2712 14432.2755 262.9887 -204198.7640 3038.7829 0.0000 0.0000 51945.0381 -109925.7021 298.5288 -161870.7402 -109567.0293 298.7023 -32.7559 -4.2401 761694.4609 16.3096 16.3984 PRESSURE: 994600 -218.334 -75.0053 60.085 -75.0057 -72.0377 -73.0277 60.0847 -73.0259 107.3 GPRESSURE: 994600 -253.048 -155.187 46.4774 -28.7311 56.5652 -26.3737 -33.3897 -34.3203 103.627 PRESSAVG: 994600 12.6207 -55.998 -49.0828 -55.9979 -52.8318 -26.5513 -49.0829 -26.5513 -15.443 GPRESSAVG: 994600 13.1767 -53.7302 -49.6689 -54.7088 -52.6229 -26.1576 -47.7893 -28.5298 -15.8429 TIMING: 994600 CPU: 3142.58, 0.0031552/step Wall: 3142.58, 0.0031552/step, 3.51051 hours remaining, 232.878906 MB of memory in use. ENERGY: 994600 4015.6519 20399.0676 14519.5852 281.4769 -203587.5695 2557.1405 0.0000 0.0000 52059.4070 -109755.2405 299.1861 -161814.6474 -109395.5826 298.0948 -61.0238 -30.9521 762090.3926 -18.5514 -18.4297 PRESSURE: 994800 -204.995 -319.761 -104.853 -319.762 -260.933 173.541 -104.854 173.541 -303.9 GPRESSURE: 994800 -173.604 -179.184 -110.989 -218.838 -247.265 85.826 -147.088 283.287 -286.526 PRESSAVG: 994800 -4.29109 -70.1327 -18.3991 -70.1326 29.3873 33.9237 -18.3991 33.9237 9.93598 GPRESSAVG: 994800 -6.37301 -68.5187 -17.5574 -72.0296 30.3603 33.569 -20.6938 33.5577 10.773 TIMING: 994800 CPU: 3143.21, 0.00313681/step Wall: 3143.21, 0.00313681/step, 3.48987 hours remaining, 232.878906 MB of memory in use. ENERGY: 994800 4027.0873 20626.5247 14418.8114 261.9365 -203424.9267 2439.8542 0.0000 0.0000 51832.1213 -109818.5913 297.8799 -161650.7127 -109451.6018 299.1832 -256.6095 -235.7984 763755.7943 11.6774 11.5868 PRESSURE: 995000 -206.561 45.4779 -90.3975 45.4773 137.053 -97.6889 -90.3966 -97.689 350.34 GPRESSURE: 995000 -1.13809 -0.0620895 -53.0203 12.0731 98.5777 -13.3458 -26.2142 -70.9282 290.641 PRESSAVG: 995000 -26.9392 -1.49419 -20.2711 -1.49416 65.4102 18.6231 -20.271 18.6231 14.1171 GPRESSAVG: 995000 -24.8364 -3.85649 -21.1777 -1.5215 64.1577 19.3685 -16.9397 20.266 12.709 TIMING: 995000 CPU: 3143.84, 0.0031457/step Wall: 3143.84, 0.0031457/step, 3.49959 hours remaining, 232.878906 MB of memory in use. ENERGY: 995000 3988.0186 20588.7316 14452.1097 253.4118 -203746.7054 2621.7621 0.0000 0.0000 51766.4281 -110076.2435 297.5024 -161842.6716 -109722.1798 298.4664 93.6107 129.3601 760079.0882 17.5294 17.3434 PRESSURE: 995200 -431.287 82.4852 -156.177 82.4844 -194.456 -294.197 -156.177 -294.197 -163.213 GPRESSURE: 995200 -338.129 76.4103 -171.44 140.547 -181.84 -293.759 -73.059 -253.683 -185.688 PRESSAVG: 995200 -15.8624 9.76509 -43.59 9.76517 22.5453 27.5525 -43.59 27.5525 -3.66718 GPRESSAVG: 995200 -16.17 10.0487 -42.835 10.1852 22.8375 27.3405 -44.987 27.1251 -3.36887 TIMING: 995200 CPU: 3144.47, 0.00314374/step Wall: 3144.47, 0.00314374/step, 3.49724 hours remaining, 232.878906 MB of memory in use. ENERGY: 995200 4046.2452 20387.4012 14420.8457 252.0469 -203612.7600 2691.8882 0.0000 0.0000 51919.4917 -109894.8411 298.3820 -161814.3328 -109528.9261 298.1051 -262.9854 -235.2188 761081.2415 1.0052 1.0996 PRESSURE: 995400 151.509 90.0563 -2.05641 90.0559 -53.2006 211.289 -2.05686 211.289 346.876 GPRESSURE: 995400 105.929 -38.8199 94.943 87.2088 28.589 233.784 -99.5068 119.747 395.922 PRESSAVG: 995400 13.5557 -26.6887 -35.576 -26.6887 26.83 63.5513 -35.576 63.5513 12.6941 GPRESSAVG: 995400 12.6575 -26.4304 -35.5327 -27.8801 27.1199 63.1897 -36.3984 62.1049 13.904 TIMING: 995400 CPU: 3145.1, 0.0031561/step Wall: 3145.1, 0.0031561/step, 3.51082 hours remaining, 232.878906 MB of memory in use. ENERGY: 995400 4040.6566 20459.7560 14472.8967 251.6095 -204025.4416 2937.0045 0.0000 0.0000 51998.8316 -109864.6868 298.8380 -161863.5184 -109508.9141 298.4110 148.3949 176.8134 760750.2362 17.6933 17.8938 PRESSURE: 995600 103.609 -215.84 62.0885 -215.841 -46.7048 -320.451 62.0898 -320.452 -478.576 GPRESSURE: 995600 83.5219 -216.809 32.2647 -205.563 9.03536 -283.531 6.30844 -236.333 -432.09 PRESSAVG: 995600 6.8476 -42.6153 -6.05836 -42.6153 17.7711 24.8544 -6.05836 24.8545 -6.78228 GPRESSAVG: 995600 6.34318 -41.9349 -6.60303 -41.8532 18.781 24.2977 -5.18931 28.5593 -7.55784 TIMING: 995600 CPU: 3145.73, 0.00315363/step Wall: 3145.73, 0.00315363/step, 3.50788 hours remaining, 232.878906 MB of memory in use. ENERGY: 995600 3975.4131 20433.3811 14513.0089 242.1923 -203535.5127 2617.4833 0.0000 0.0000 51810.4551 -109943.5790 297.7554 -161754.0341 -109582.1608 298.0123 -140.5570 -113.1775 761137.0106 5.9455 5.8555 PRESSURE: 995800 107.665 32.9307 -101.439 32.9298 -34.3527 120.579 -101.439 120.578 334.03 GPRESSURE: 995800 152.492 -19.6449 -36.0642 -8.93118 1.78345 137.173 -111.308 143.71 345.476 PRESSAVG: 995800 -0.616289 -32.129 -14.3468 -32.129 34.3346 -14.8938 -14.3468 -14.8938 -4.48791 GPRESSAVG: 995800 -0.415354 -33.3855 -14.3016 -31.4248 34.1078 -14.3179 -13.6244 -18.5557 -4.31664 TIMING: 995800 CPU: 3146.36, 0.00316091/step Wall: 3146.36, 0.00316091/step, 3.51581 hours remaining, 232.878906 MB of memory in use. ENERGY: 995800 4048.5522 20333.1313 14479.0820 253.8165 -204382.1808 3183.8995 0.0000 0.0000 51960.1721 -110123.5272 298.6158 -162083.6993 -109762.6084 297.8363 135.7807 166.5840 758988.5252 9.7435 9.7919 PRESSURE: 996000 -87.4581 24.5946 -402.851 24.594 -74.0906 -56.1726 -402.85 -56.173 -308.603 GPRESSURE: 996000 -19.9654 18.683 -409.16 62.9009 -27.011 -41.0609 -390.744 -65.298 -356.418 PRESSAVG: 996000 -39.4644 5.49025 -49.9152 5.49029 24.3079 3.68386 -49.9152 3.68389 9.90358 GPRESSAVG: 996000 -39.6796 6.00796 -50.4862 5.32437 24.0829 3.36845 -48.9716 3.00732 10.3119 TIMING: 996000 CPU: 3147, 0.0031869/step Wall: 3147, 0.0031869/step, 3.54455 hours remaining, 232.878906 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: 996000 3988.4892 20472.0815 14528.9990 268.1886 -203543.4911 2448.3746 0.0000 0.0000 51934.3863 -109902.9718 298.4676 -161837.3582 -109539.7226 298.1144 -156.7174 -134.4649 762404.2899 -1.7510 -1.7616 PRESSURE: 996200 -30.9399 -256.86 -122.367 -256.86 257.719 -128.491 -122.367 -128.491 -223.78 GPRESSURE: 996200 -13.8661 -217.267 -99.8567 -166.683 278.823 -101.128 -60.8219 -193.14 -166.486 PRESSAVG: 996200 -53.2307 -20.2567 19.2048 -20.2567 50.7853 -54.22 19.2048 -54.22 3.05778 GPRESSAVG: 996200 -52.5809 -21.2172 18.4748 -18.205 51.2483 -52.8034 19.2398 -54.1 2.17893 TIMING: 996200 CPU: 3147.63, 0.00315043/step Wall: 3147.63, 0.00315043/step, 3.5038 hours remaining, 232.878906 MB of memory in use. ENERGY: 996200 3976.5963 20326.5706 14475.5520 248.0607 -203421.8607 2644.2991 0.0000 0.0000 51842.2202 -109908.5618 297.9380 -161750.7820 -109549.7938 298.0305 0.9997 32.8237 762997.2369 0.2041 0.2821 LDB: ============= START OF LOAD BALANCING ============== 3160.17 LDB: ============== END OF LOAD BALANCING =============== 3160.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3160.17 LDB: ============= START OF LOAD BALANCING ============== 3160.48 LDB: Largest compute 7042 load 0.032398 is 16.6% of average load 0.195323 LDB: Average compute 0.004363 is 2.2% of average load 0.195323 LDB: TIME 3160.49 LOAD: AVG 0.195323 MAX 0.212197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.188 MB LDB: TIME 3160.49 LOAD: AVG 0.195323 MAX 0.212197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.191 MB LDB: TIME 3160.49 LOAD: AVG 0.195323 MAX 0.212197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.191 MB LDB: ============== END OF LOAD BALANCING =============== 3160.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3160.49 PRESSURE: 996400 -162.548 25.4209 329.769 25.421 245.272 38.2469 329.769 38.2463 129.791 GPRESSURE: 996400 -172.803 115.938 280.923 36.4912 315.463 170.384 288.8 107.863 156.961 PRESSAVG: 996400 3.18698 -34.4151 -18.1188 -34.4151 2.2636 29.8033 -18.1188 29.8034 -15.0307 GPRESSAVG: 996400 2.19217 -33.3204 -17.0599 -35.7632 1.67986 30.3302 -19.1076 30.3677 -13.5562 TIMING: 996400 CPU: 3148.28, 0.00323671/step Wall: 3148.28, 0.00323671/step, 3.59958 hours remaining, 234.671875 MB of memory in use. ENERGY: 996400 3879.9369 20349.8441 14526.1371 237.9211 -203220.9547 2549.7666 0.0000 0.0000 51883.3328 -109794.0161 298.1742 -161677.3489 -109436.8151 297.7227 70.8383 99.8737 762383.1211 -3.1934 -3.2281 PRESSURE: 996600 64.4256 28.1673 -30.3859 28.1673 86.7812 16.8797 -30.3861 16.878 292.33 GPRESSURE: 996600 90.1246 -17.002 -150.066 36.7088 94.4415 -45.4935 -32.8555 15.8315 344.93 PRESSAVG: 996600 -80.165 -32.1913 2.29615 -32.1914 27.3984 -32.008 2.29613 -32.0081 -12.1898 GPRESSAVG: 996600 -78.6602 -32.6527 0.445091 -33.688 27.1966 -33.7173 1.82061 -29.7773 -13.4886 TIMING: 996600 CPU: 3148.91, 0.00317094/step Wall: 3148.91, 0.00317094/step, 3.52626 hours remaining, 234.875000 MB of memory in use. ENERGY: 996600 3866.2084 20351.3395 14503.6163 265.4308 -203439.2138 2845.1613 0.0000 0.0000 51851.3396 -109756.1179 297.9904 -161607.4575 -109381.5600 298.2060 147.8456 176.4987 762905.0730 -21.6521 -21.6507 PRESSURE: 996800 -49.3683 196.556 159.419 196.556 -323.678 -103.229 159.419 -103.23 -114.614 GPRESSURE: 996800 -30.5525 181.131 132.629 82.2034 -255.287 -137.49 81.5442 13.4107 -94.6234 PRESSAVG: 996800 2.19151 -35.5621 -0.753343 -35.5621 37.8753 -20.4574 -0.75335 -20.4574 -10.4498 GPRESSAVG: 996800 0.828929 -34.6092 2.16024 -34.6007 38.9393 -19.0785 -0.225066 -23.1708 -10.1745 TIMING: 996800 CPU: 3149.55, 0.00319839/step Wall: 3149.55, 0.00319839/step, 3.55661 hours remaining, 234.875000 MB of memory in use. ENERGY: 996800 4107.4261 20477.0719 14535.4729 249.6933 -203371.0170 2591.0015 0.0000 0.0000 52038.6521 -109371.6993 299.0668 -161410.3513 -109011.2097 298.9356 -162.5538 -126.8208 763328.8226 9.8723 9.8646 PRESSURE: 997000 -261.475 89.7535 230.151 89.7531 -156.599 -221.948 230.151 -221.948 -438.404 GPRESSURE: 997000 -155.7 54.7853 291.918 26.5226 -146.354 -166.903 303.678 -128.484 -449.048 PRESSAVG: 997000 -32.6154 -15.7769 22.0161 -15.7769 50.4745 -25.2554 22.0162 -25.2555 -0.518572 GPRESSAVG: 997000 -30.5597 -15.2509 20.3669 -14.646 49.416 -25.9486 22.6744 -24.7633 -0.964986 TIMING: 997000 CPU: 3150.18, 0.0031693/step Wall: 3150.18, 0.0031693/step, 3.52409 hours remaining, 234.875000 MB of memory in use. ENERGY: 997000 3980.0389 20554.1950 14479.2912 239.1805 -203229.2180 2582.5154 0.0000 0.0000 51920.2316 -109473.7653 298.3863 -161393.9969 -109107.3834 299.1379 -285.4924 -250.3675 762830.4302 5.7802 5.9638 PRESSURE: 997200 291.905 55.9292 56.7019 55.9291 -11.0538 -131.431 56.7016 -131.431 -69.137 GPRESSURE: 997200 227.77 -31.6305 41.192 39.2895 23.2086 -86.1332 149.828 -127.13 26.3093 PRESSAVG: 997200 -17.7508 -4.615 -85.8941 -4.61497 -21.2487 -36.043 -85.8942 -36.043 -0.254418 GPRESSAVG: 997200 -18.6016 -5.52573 -85.1252 -5.93932 -20.4967 -36.6888 -87.6926 -36.9804 -0.707056 TIMING: 997200 CPU: 3150.82, 0.00317698/step Wall: 3150.82, 0.00317698/step, 3.53244 hours remaining, 234.875000 MB of memory in use. ENERGY: 997200 3949.7232 20369.8306 14473.2679 238.9073 -203474.2397 2747.4579 0.0000 0.0000 52070.6989 -109624.3539 299.2510 -161695.0527 -109254.1954 298.4831 70.5713 92.4291 762219.2930 -13.0846 -13.2685 PRESSURE: 997400 -194.804 179.129 101.672 179.128 -186.863 -311.038 101.672 -311.038 -73.9959 GPRESSURE: 997400 -207.125 143.185 125.624 43.2956 -111.779 -232.554 67.1648 -214.527 -50.356 PRESSAVG: 997400 -56.4011 21.8617 -79.2368 21.8618 61.9674 -22.4607 -79.2368 -22.4608 7.99116 GPRESSAVG: 997400 -56.9491 19.8587 -80.1799 22.0029 61.6466 -22.3675 -76.8685 -19.2165 9.04091 TIMING: 997400 CPU: 3151.45, 0.00316857/step Wall: 3151.45, 0.00316857/step, 3.52292 hours remaining, 234.875000 MB of memory in use. ENERGY: 997400 3969.6311 20446.7782 14402.7287 251.2733 -203296.8689 2674.6898 0.0000 0.0000 52032.4794 -109519.2885 299.0314 -161551.7679 -109159.0079 299.1500 -151.8879 -123.0869 762405.3086 4.5192 4.5795 PRESSURE: 997600 127.85 -50.083 63.2088 -50.0822 153.444 -129.693 63.2085 -129.693 -279.918 GPRESSURE: 997600 270.098 -114.179 2.81618 -148.187 101.648 -61.7515 -52.6624 -168.723 -287.355 PRESSAVG: 997600 -83.6587 1.50234 -29.5237 1.50235 70.2633 4.19915 -29.5237 4.19913 -0.768927 GPRESSAVG: 997600 -82.3756 3.7018 -27.3217 1.59563 69.2399 3.57024 -33.0419 5.38224 -1.57731 TIMING: 997600 CPU: 3152.09, 0.00316144/step Wall: 3152.09, 0.00316144/step, 3.51481 hours remaining, 234.875000 MB of memory in use. ENERGY: 997600 3985.1920 20530.5371 14466.3818 260.5525 -203465.1644 2740.0900 0.0000 0.0000 51984.4542 -109497.9569 298.7554 -161482.4110 -109136.3211 299.6633 0.4585 28.1305 763146.1183 -4.7214 -4.9043 PRESSURE: 997800 -328.18 -206.773 -242.637 -206.772 -112.018 193.993 -242.637 193.994 265.272 GPRESSURE: 997800 -307.953 -214.032 -251.987 -218.24 -79.5277 146.59 -246.549 223.749 280.328 PRESSAVG: 997800 5.6509 -36.8379 -44.2491 -36.8379 -1.0175 -0.715524 -44.2491 -0.715474 -7.19158 GPRESSAVG: 997800 5.26141 -36.3662 -46.518 -39.0854 -1.19518 0.00521174 -41.1595 -4.54986 -6.79111 TIMING: 997800 CPU: 3152.72, 0.00316456/step Wall: 3152.72, 0.00316456/step, 3.51811 hours remaining, 234.875000 MB of memory in use. ENERGY: 997800 3986.3084 20498.6605 14456.1410 251.4973 -202969.4462 2428.4792 0.0000 0.0000 51811.1542 -109537.2056 297.7594 -161348.3598 -109177.5684 299.3652 -58.3088 -35.7174 762611.2738 -0.8527 -0.9083 PRESSURE: 998000 -326.217 -117.219 32.0034 -117.22 265.784 -195.042 32.0036 -195.042 -328.763 GPRESSURE: 998000 -211.172 -113.879 29.1985 -100.962 230.862 -162.65 21.4737 -224.754 -328.267 PRESSAVG: 998000 22.4281 -71.378 -9.66828 -71.378 -7.11404 -32.001 -9.66823 -32.001 -36.1857 GPRESSAVG: 998000 22.176 -73.8745 -8.36349 -68.9997 -6.24674 -31.4773 -10.3314 -31.1625 -36.7532 TIMING: 998000 CPU: 3153.35, 0.00316945/step Wall: 3153.35, 0.00316945/step, 3.52337 hours remaining, 234.875000 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: 998000 3942.0673 20537.8955 14524.6505 235.1930 -203163.2326 2589.5189 0.0000 0.0000 52106.1836 -109227.7239 299.4550 -161333.9075 -108864.0010 299.2889 -129.7322 -102.8590 763562.9676 -6.9572 -6.9413 PRESSURE: 998200 67.683 -51.1283 -30.7962 -51.1285 245.098 -219.483 -30.7964 -219.483 247.11 GPRESSURE: 998200 132.74 93.78 -31.582 -75.836 251.647 -218.584 36.2758 -147.951 261.294 PRESSAVG: 998200 -48.8086 -57.2694 -21.7913 -57.2694 29.9926 -10.4442 -21.7914 -10.4442 -6.13715 GPRESSAVG: 998200 -48.4024 -53.8372 -21.9927 -59.2579 30.0378 -10.9012 -20.4758 -9.36078 -5.97743 TIMING: 998200 CPU: 3153.99, 0.00318015/step Wall: 3153.99, 0.00318015/step, 3.53509 hours remaining, 234.875000 MB of memory in use. ENERGY: 998200 3988.8824 20479.1717 14476.9989 236.1756 -203452.7432 2844.2438 0.0000 0.0000 52064.0091 -109363.2618 299.2126 -161427.2708 -108999.6281 299.5941 186.6303 215.2271 761435.2707 -8.3177 -8.1140 PRESSURE: 998400 -202.704 -105.826 2.40586 -105.826 -176.415 121.088 2.40656 121.088 -134.366 GPRESSURE: 998400 -171.519 -118.715 23.8268 -199.162 -89.5572 149.287 1.7418 149.99 -163.739 PRESSAVG: 998400 44.3404 -35.8784 -25.5977 -35.8784 -19.4373 -23.5374 -25.5977 -23.5374 -7.47494 GPRESSAVG: 998400 43.8454 -39.0395 -24.9274 -33.935 -19.3935 -23.3189 -27.6229 -25.8144 -7.14674 TIMING: 998400 CPU: 3154.62, 0.00317614/step Wall: 3154.62, 0.00317614/step, 3.53046 hours remaining, 234.875000 MB of memory in use. ENERGY: 998400 3996.4265 20577.8993 14450.4759 241.7386 -203356.2720 2603.7018 0.0000 0.0000 52036.5038 -109449.5261 299.0545 -161486.0300 -109081.2131 299.6365 -171.1616 -141.6052 762983.0769 5.8094 5.7684 PRESSURE: 998600 40.8099 116.37 46.4788 116.37 -71.3699 91.1871 46.4786 91.1874 -241.29 GPRESSURE: 998600 91.7124 98.8353 57.3931 142.672 -44.1177 8.53337 2.36481 111.843 -223.387 PRESSAVG: 998600 31.3796 8.27829 -80.4044 8.27831 -34.5195 60.7318 -80.4043 60.7319 -6.63446 GPRESSAVG: 998600 32.473 10.1481 -80.5047 6.67872 -35.1683 59.1202 -81.6142 63.5129 -6.60534 TIMING: 998600 CPU: 3155.26, 0.00318826/step Wall: 3155.26, 0.00318826/step, 3.54375 hours remaining, 234.875000 MB of memory in use. ENERGY: 998600 3911.9306 20582.9469 14393.7904 251.3324 -203632.1099 2830.4796 0.0000 0.0000 52010.8485 -109650.7815 298.9071 -161661.6300 -109297.0922 299.2698 -90.6168 -58.5974 761826.9462 -3.2581 -3.1002 PRESSURE: 998800 282.045 -273.593 345.751 -273.593 -496.3 78.8601 345.753 78.8594 -646.552 GPRESSURE: 998800 316.859 -249.249 334.464 -198.324 -458.27 233.206 270.631 18.8295 -644.855 PRESSAVG: 998800 17.0038 29.1695 -7.4434 29.1695 -11.805 -14.4064 -7.44345 -14.4065 -4.44749 GPRESSAVG: 998800 16.4776 30.5444 -7.89379 29.5412 -11.4948 -11.334 -5.37061 -15.9276 -4.51563 TIMING: 998800 CPU: 3155.9, 0.00317975/step Wall: 3155.9, 0.00317975/step, 3.53412 hours remaining, 234.875000 MB of memory in use. ENERGY: 998800 3943.4553 20573.4285 14494.0520 250.8411 -203830.1270 2821.4169 0.0000 0.0000 51817.9892 -109928.9440 297.7987 -161746.9331 -109568.7041 298.3282 -286.9356 -262.0886 761537.3108 0.2504 0.1557 PRESSURE: 999000 134.359 -72.112 -166.335 -72.112 -193.918 -58.5193 -166.335 -58.5199 171.849 GPRESSURE: 999000 110.974 -166.372 -113.509 -50.4271 -140.855 -2.95589 -240.75 -74.8404 224.789 PRESSAVG: 999000 -6.79248 -51.662 19.9243 -51.662 2.74807 -17.3342 19.9242 -17.3342 -0.629143 GPRESSAVG: 999000 -7.57507 -54.0155 18.8046 -51.6404 3.68326 -20.5795 18.7442 -16.7965 -0.991538 TIMING: 999000 CPU: 3156.53, 0.00316417/step Wall: 3156.53, 0.00316417/step, 3.51663 hours remaining, 234.875000 MB of memory in use. ENERGY: 999000 4017.4991 20436.3888 14461.7778 244.4407 -203834.0470 2985.8927 0.0000 0.0000 51977.5387 -109710.5093 298.7156 -161688.0480 -109352.6559 299.0077 37.4299 64.9693 762287.2347 -1.5579 -1.6278 PRESSURE: 999200 -456.635 48.7852 -29.1858 48.7854 -134.542 -166.191 -29.1853 -166.19 272.404 GPRESSURE: 999200 -285.421 150.429 44.3143 74.1676 -151.475 -126.194 6.31047 -162.211 195.784 PRESSAVG: 999200 1.53655 -5.30984 -39.3239 -5.30982 -44.7686 -47.1049 -39.3239 -47.1049 30.2583 GPRESSAVG: 999200 0.138285 -4.22129 -37.3354 -5.2787 -42.9173 -43.8698 -37.6743 -46.8722 29.662 TIMING: 999200 CPU: 3157.16, 0.00315425/step Wall: 3157.16, 0.00315425/step, 3.50543 hours remaining, 234.875000 MB of memory in use. ENERGY: 999200 3937.5413 20521.3426 14462.8957 255.8134 -203906.1686 2914.0968 0.0000 0.0000 52065.6100 -109748.8687 299.2218 -161814.4788 -109386.0552 298.5556 -106.2580 -80.3707 762044.3646 -4.3246 -4.3723 PRESSURE: 999400 211.28 224.347 105.818 224.348 225.419 153.653 105.817 153.653 133.15 GPRESSURE: 999400 216.483 150.593 95.6659 155.092 270.179 116.59 250.374 67.4915 176.684 PRESSAVG: 999400 12.4081 -3.65915 -36.4159 -3.65917 28.6018 -20.7557 -36.4159 -20.7558 5.02384 GPRESSAVG: 999400 13.8799 -4.54849 -38.5716 -3.72051 25.6595 -20.6912 -37.0147 -23.2096 6.21348 TIMING: 999400 CPU: 3157.79, 0.00315758/step Wall: 3157.79, 0.00315758/step, 3.50895 hours remaining, 234.875000 MB of memory in use. ENERGY: 999400 3929.4805 20638.6239 14523.4035 253.7943 -203656.8207 2838.0795 0.0000 0.0000 51775.3749 -109698.0642 297.5538 -161473.4391 -109347.5863 298.0845 189.9495 221.1153 762014.6649 15.3446 15.2510 PRESSURE: 999600 -181.732 -141.559 -47.6277 -141.56 -302.566 -83.1195 -47.6272 -83.1193 -370.96 GPRESSURE: 999600 -225.562 -172.26 42.7849 -107.85 -138.884 -71.0041 -26.2284 -164.184 -370.504 PRESSAVG: 999600 74.3747 24.2562 -66.7229 24.2562 -25.4813 -11.738 -66.7229 -11.738 12.6601 GPRESSAVG: 999600 74.8918 24.0347 -65.2421 24.2066 -23.8183 -12.7095 -64.5578 -9.64312 10.7557 TIMING: 999600 CPU: 3158.43, 0.00317695/step Wall: 3158.43, 0.00317694/step, 3.53029 hours remaining, 234.875000 MB of memory in use. ENERGY: 999600 3997.2471 20383.3689 14464.3719 267.5535 -203529.6766 2521.7586 0.0000 0.0000 52012.3590 -109883.0176 298.9157 -161895.3766 -109519.1665 298.5102 -285.0860 -244.9834 761412.8039 20.5178 20.6097 PRESSURE: 999800 -166.812 74.1624 -84.8092 74.1628 -12.1003 115.905 -84.8089 115.905 25.2062 GPRESSURE: 999800 -136.584 213.529 -128.069 56.4804 -25.6105 156.954 -94.3561 102.295 94.5381 PRESSAVG: 999800 -30.0319 -34.4114 -36.6079 -34.4114 -34.5073 -15.4845 -36.6078 -15.4845 -19.6921 GPRESSAVG: 999800 -31.0125 -32.9646 -38.3757 -35.3649 -34.2711 -16.9364 -37.8842 -15.0449 -18.8161 TIMING: 999800 CPU: 3159.06, 0.00318332/step Wall: 3159.06, 0.00318332/step, 3.5372 hours remaining, 234.875000 MB of memory in use. ENERGY: 999800 3989.1027 20662.7455 14405.1872 241.4596 -203638.8660 2869.3411 0.0000 0.0000 51836.5288 -109634.5010 297.9052 -161471.0298 -109284.5696 298.3069 -51.2353 -22.5522 763213.2730 -28.0771 -28.0332 PRESSURE: 1000000 -192.284 6.43099 -218.207 6.43071 -176.427 -79.5529 -218.208 -79.5528 -109.197 GPRESSURE: 1000000 -62.6529 -30.8699 -184.379 -132.258 -171.041 -94.7094 -142.061 -11.8911 -156.508 PRESSAVG: 1000000 19.2704 -30.3154 -53.9232 -30.3154 -7.02137 -38.5723 -53.9231 -38.5724 -24.5563 GPRESSAVG: 1000000 20.0267 -30.8947 -54.0776 -30.0729 -8.45621 -36.712 -53.4561 -39.53 -23.7743 TIMING: 1000000 CPU: 3159.71, 0.00320836/step Wall: 3159.71, 0.00320836/step, 3.56484 hours remaining, 234.875000 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: 1000000 3960.3087 20476.4061 14398.8342 232.9249 -203126.6633 2560.3675 0.0000 0.0000 51934.3465 -109563.4754 298.4674 -161497.8220 -109195.6001 299.1646 -159.3027 -130.0674 762778.4675 -4.1024 -4.0679 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.014 seconds, 234.875 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 -12.0958 51.7213 -89.7663 51.7215 -58.0176 149.943 -89.766 149.943 -249.432 GPRESSURE: 1000200 -5.85274 100.5 -113.504 16.0514 -91.2549 182.168 -167.697 205.357 -144.921 PRESSAVG: 1000200 -66.0395 -7.61034 -48.5374 -7.6103 30.1741 7.62458 -48.5374 7.62466 -5.80246 GPRESSAVG: 1000200 -64.9172 -8.22986 -47.2741 -7.1885 30.0504 5.5552 -47.7531 9.22124 -6.27626 TIMING: 1000200 CPU: 3160.37, 0.00330412/step Wall: 3160.37, 0.00330412/step, 3.67106 hours remaining, 235.000000 MB of memory in use. ENERGY: 1000200 4052.4298 20685.4881 14493.9505 257.8440 -203342.6807 2540.1618 0.0000 0.0000 51960.2937 -109352.5129 298.6165 -161312.8066 -109003.5113 298.8800 -106.5151 -80.6762 762950.5437 -13.8893 -13.7144 LDB: ============= START OF LOAD BALANCING ============== 3172.9 LDB: ============== END OF LOAD BALANCING =============== 3172.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3172.9 LDB: ============= START OF LOAD BALANCING ============== 3173.22 LDB: Largest compute 7031 load 0.032545 is 16.7% of average load 0.195387 LDB: Average compute 0.004378 is 2.2% of average load 0.195387 LDB: TIME 3173.22 LOAD: AVG 0.195387 MAX 0.2111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.055 MB LDB: TIME 3173.22 LOAD: AVG 0.195387 MAX 0.2111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: TIME 3173.22 LOAD: AVG 0.195387 MAX 0.2111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: ============== END OF LOAD BALANCING =============== 3173.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3173.23 PRESSURE: 1000400 271.167 -217.416 -39.3943 -217.415 32.0939 17.7464 -39.3936 17.7466 35.7114 GPRESSURE: 1000400 293.023 -216.861 10.2629 -198.003 -19.0461 -16.4021 -11.8505 53.2025 135.518 PRESSAVG: 1000400 38.1431 -69.0819 -22.6952 -69.0818 -67.7987 7.12799 -22.6952 7.12804 -21.6847 GPRESSAVG: 1000400 36.2464 -68.8153 -20.6453 -68.4336 -66.9302 8.50729 -25.431 5.04338 -21.1879 TIMING: 1000400 CPU: 3161.01, 0.00323704/step Wall: 3161.01, 0.00323704/step, 3.59635 hours remaining, 233.636719 MB of memory in use. ENERGY: 1000400 4072.1443 20525.2239 14434.1578 260.8260 -203580.0371 2758.3847 0.0000 0.0000 52100.0379 -109429.2626 299.4196 -161529.3005 -109065.6404 299.1181 112.9910 136.4980 761708.7906 -17.1134 -17.2906 PRESSURE: 1000600 -63.1422 -7.8564 -142.799 -7.85618 304.781 -13.7046 -142.799 -13.7041 26.5677 GPRESSURE: 1000600 -66.0457 145.868 -92.0387 -89.8716 371.225 -30.7883 -153.793 31.7192 37.854 PRESSAVG: 1000600 7.81863 -26.0581 13.7315 -26.0581 -26.7235 -31.5988 13.7316 -31.5988 -2.36632 GPRESSAVG: 1000600 8.5472 -25.3858 11.6571 -28.0202 -27.975 -30.6065 12.5528 -32.8035 -1.50471 TIMING: 1000600 CPU: 3161.65, 0.00315911/step Wall: 3161.65, 0.00315911/step, 3.5096 hours remaining, 233.636719 MB of memory in use. ENERGY: 1000600 3955.9837 20623.1356 14453.4189 251.4586 -203534.0035 2973.4305 0.0000 0.0000 51880.0380 -109396.5382 298.1553 -161276.5762 -109043.6123 299.0685 89.4021 114.3445 764094.5576 -7.0904 -6.9775 PRESSURE: 1000800 -204.621 -60.0608 -258.066 -60.0607 -107.358 41.8733 -258.067 41.8732 98.4978 GPRESSURE: 1000800 -145.467 -117.276 -200.461 -135.626 -132.783 31.1984 -228.357 243.57 109.637 PRESSAVG: 1000800 -56.8684 7.90031 -10.0908 7.90035 41.5535 -48.033 -10.0908 -48.0329 -29.6819 GPRESSAVG: 1000800 -56.565 6.72384 -9.2893 8.76648 42.742 -47.7273 -7.74343 -48.5679 -30.8072 TIMING: 1000800 CPU: 3162.28, 0.0031843/step Wall: 3162.28, 0.0031843/step, 3.53741 hours remaining, 233.636719 MB of memory in use. ENERGY: 1000800 3944.0894 20457.6560 14439.4203 244.7631 -203410.6252 2788.1223 0.0000 0.0000 52118.2916 -109418.2825 299.5245 -161536.5741 -109045.9334 299.2592 -71.1602 -56.2041 763183.6621 -14.9989 -14.8768 PRESSURE: 1001000 67.2298 115.274 30.2489 115.273 -234.084 46.3718 30.249 46.3721 -207.64 GPRESSURE: 1001000 67.519 17.8765 -94.3608 169.034 -149.058 25.0401 -54.825 185.908 -223.751 PRESSAVG: 1001000 -5.42798 7.85918 14.6363 7.85914 -1.4036 -14.0824 14.6364 -14.0824 8.45325 GPRESSAVG: 1001000 -5.39689 10.0364 13.8317 7.10138 -2.34954 -16.3618 12.4002 -13.0282 8.91058 TIMING: 1001000 CPU: 3162.92, 0.0031654/step Wall: 3162.92, 0.00316541/step, 3.51624 hours remaining, 233.636719 MB of memory in use. ENERGY: 1001000 4013.6397 20535.4641 14413.6554 241.8380 -202927.2795 2520.8820 0.0000 0.0000 51815.2139 -109386.5864 297.7827 -161201.8003 -109034.6812 298.9203 -124.8317 -101.7632 762929.7602 0.5406 0.3881 PRESSURE: 1001200 190.97 144.719 166.703 144.717 269.567 -268.119 166.702 -268.119 285.385 GPRESSURE: 1001200 164.171 93.4588 175.993 156.138 302.35 -191.244 191.792 -287.941 373.772 PRESSAVG: 1001200 -19.2483 -15.9933 -11.3352 -15.9933 22.8762 -12.517 -11.3352 -12.517 -12.1712 GPRESSAVG: 1001200 -19.5777 -15.146 -11.2828 -15.076 23.5124 -11.7004 -10.6129 -13.0432 -12.7328 TIMING: 1001200 CPU: 3163.55, 0.0031818/step Wall: 3163.55, 0.0031818/step, 3.53427 hours remaining, 233.636719 MB of memory in use. ENERGY: 1001200 3947.4399 20426.6523 14495.0414 227.1329 -203115.1194 2386.8417 0.0000 0.0000 52324.0168 -109307.9944 300.7068 -161632.0112 -108944.1843 299.6134 248.6409 280.0979 760446.6434 -2.8478 -2.9327 PRESSURE: 1001400 101.938 -228.652 -9.50659 -228.653 195.957 -94.9438 -9.50659 -94.9433 -74.3529 GPRESSURE: 1001400 219.707 -286.362 -21.2563 -239.757 171.505 -101.914 -45.0315 14.5596 -83.6385 PRESSAVG: 1001400 24.5309 -39.6655 49.8473 -39.6655 50.7249 -18.6351 49.8473 -18.635 9.96526 GPRESSAVG: 1001400 24.1387 -40.197 50.6524 -42.466 51.3263 -18.3564 50.836 -18.6237 9.57144 TIMING: 1001400 CPU: 3164.18, 0.00313862/step Wall: 3164.18, 0.00313862/step, 3.48614 hours remaining, 233.636719 MB of memory in use. ENERGY: 1001400 3912.7910 20670.9760 14496.9537 256.2678 -203795.4818 2934.1648 0.0000 0.0000 52246.3781 -109277.9503 300.2607 -161524.3283 -108904.1398 299.4303 74.5142 102.5243 759943.6827 28.4070 28.3455 PRESSURE: 1001600 220.11 20.079 190.559 20.0782 -33.3762 -31.1382 190.559 -31.1382 639.698 GPRESSURE: 1001600 247.188 -38.2065 137.824 102.487 103.671 -20.1971 133.132 -10.1378 578.062 PRESSAVG: 1001600 -14.3202 -33.9305 -9.11152 -33.9305 31.4743 -4.37925 -9.11155 -4.37921 -23.3935 GPRESSAVG: 1001600 -14.6847 -37.1941 -10.9241 -31.8708 31.7598 -4.91247 -9.69771 -5.00824 -23.679 TIMING: 1001600 CPU: 3164.81, 0.00315194/step Wall: 3164.81, 0.00315194/step, 3.50075 hours remaining, 233.636719 MB of memory in use. ENERGY: 1001600 3878.9797 20485.2986 14447.5158 242.1549 -203161.9946 2641.6192 0.0000 0.0000 52230.0990 -109236.3273 300.1671 -161466.4264 -108862.4225 299.3791 275.4774 309.6402 762515.1999 -2.0798 -2.2013 PRESSURE: 1001800 -104.602 -9.39994 -17.0756 -9.40014 173.861 83.3973 -17.075 83.3973 -179.028 GPRESSURE: 1001800 54.9437 95.2676 -57.8969 -11.953 124.128 39.8941 3.0761 100.732 -203.686 PRESSAVG: 1001800 9.50823 -19.8263 -8.29321 -19.8264 -19.9883 21.3196 -8.29324 21.3197 0.941897 GPRESSAVG: 1001800 10.1436 -18.3174 -7.79493 -17.7752 -20.7338 22.1589 -6.87682 22.6228 0.803496 TIMING: 1001800 CPU: 3165.44, 0.00314378/step Wall: 3165.44, 0.00314378/step, 3.49151 hours remaining, 233.636719 MB of memory in use. ENERGY: 1001800 3880.9413 20523.0574 14506.1243 249.9878 -202980.5219 2358.8128 0.0000 0.0000 52260.9047 -109200.6936 300.3441 -161461.5983 -108828.8585 299.6787 -36.5900 -8.2046 762761.9298 -3.1794 -3.2622 PRESSURE: 1002000 -143.379 -44.7358 -98.649 -44.7355 -349.843 139.17 -98.65 139.17 -44.9904 GPRESSURE: 1002000 -107.969 1.42477 -96.7348 -11.2024 -319.012 40.6665 -267.354 145.118 -18.4465 PRESSAVG: 1002000 -54.1413 12.4969 0.568164 12.4969 -6.15822 -4.27659 0.568203 -4.27661 -0.497081 GPRESSAVG: 1002000 -54.7553 13.0076 1.37057 11.6662 -6.55008 -6.49425 -0.857302 -2.8552 -0.138788 TIMING: 1002000 CPU: 3166.07, 0.00314553/step Wall: 3166.07, 0.00314553/step, 3.49329 hours remaining, 233.636719 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: 1002000 3964.0379 20574.4159 14498.6965 261.7010 -202689.2981 2478.6945 0.0000 0.0000 51939.7849 -108971.9676 298.4987 -160911.7524 -108605.7158 299.4297 -179.4042 -148.4759 762227.7665 -20.2655 -20.4814 PRESSURE: 1002200 -108.44 -17.1473 -340.119 -17.1465 84.4521 39.6206 -340.12 39.6213 163.645 GPRESSURE: 1002200 -38.0955 18.104 -251.363 -83.1202 133.776 96.2576 -351.909 -26.4479 136.235 PRESSAVG: 1002200 -7.74039 -29.9321 -52.1024 -29.9321 17.9012 -25.691 -52.1023 -25.6908 -15.8188 GPRESSAVG: 1002200 -7.36698 -29.5523 -52.4914 -30.4916 17.8054 -24.0809 -51.4804 -26.5394 -15.8865 TIMING: 1002200 CPU: 3166.7, 0.00318058/step Wall: 3166.7, 0.00318058/step, 3.53204 hours remaining, 233.636719 MB of memory in use. ENERGY: 1002200 4074.9251 20349.3223 14487.7383 240.4766 -202811.5249 2559.8007 0.0000 0.0000 52100.5856 -108998.6762 299.4228 -161099.2619 -108629.6363 300.0466 46.5526 77.3052 763248.4914 -1.8860 -1.8160 PRESSURE: 1002400 84.9276 -83.7519 95.7886 -83.7518 8.47681 80.6864 95.7883 80.6862 47.9158 GPRESSURE: 1002400 88.2238 -112.847 104.944 55.9244 118.407 109.538 109.454 228.195 4.39066 PRESSAVG: 1002400 -24.0407 -46.6491 -53.4249 -46.6491 -8.08109 -11.8152 -53.425 -11.8152 9.0884 GPRESSAVG: 1002400 -24.0366 -44.8797 -54.2713 -46.2832 -7.71689 -10.6611 -51.6036 -13.1396 8.9132 TIMING: 1002400 CPU: 3167.34, 0.00316322/step Wall: 3167.34, 0.00316322/step, 3.51258 hours remaining, 233.636719 MB of memory in use. ENERGY: 1002400 4087.2787 20551.1156 14495.4389 250.8757 -203368.1861 2810.7802 0.0000 0.0000 52201.2615 -108971.4356 300.0014 -161172.6971 -108613.7364 299.6831 47.1067 70.3404 762018.9619 -7.6778 -7.6134 PRESSURE: 1002600 169.726 -137.588 20.187 -137.588 47.8905 -280.096 20.1879 -280.095 -10.7637 GPRESSURE: 1002600 153.355 -100.159 -14.7165 -301.94 125.863 -286.011 35.3391 -168.924 29.9433 PRESSAVG: 1002600 7.97351 -16.2568 -29.4087 -16.2568 2.58292 47.1712 -29.4087 47.1712 -7.16839 GPRESSAVG: 1002600 8.8604 -16.3915 -27.5093 -18.5459 1.6893 45.8239 -31.2535 46.0198 -6.74668 TIMING: 1002600 CPU: 3167.97, 0.00314469/step Wall: 3167.97, 0.00314469/step, 3.49183 hours remaining, 233.636719 MB of memory in use. ENERGY: 1002600 3944.9743 20196.0362 14472.3432 251.5844 -203514.4783 2996.0953 0.0000 0.0000 52264.2790 -109389.1658 300.3635 -161653.4448 -109016.2880 299.9688 68.9508 103.0537 762113.9904 1.1293 1.2677 PRESSURE: 1002800 -526.243 22.1296 13.9234 22.1291 51.1098 174.678 13.9232 174.678 -221.313 GPRESSURE: 1002800 -497.576 -80.6816 -15.8237 -66.5346 141.535 151.042 41.4649 149.884 -227.941 PRESSAVG: 1002800 -15.5397 -43.9727 -33.3971 -43.9727 35.8306 -12.8106 -33.3971 -12.8105 6.48744 GPRESSAVG: 1002800 -16.951 -48.1462 -33.1861 -42.2718 37.3772 -13.1074 -32.7228 -11.5253 5.79206 TIMING: 1002800 CPU: 3168.6, 0.00314532/step Wall: 3168.6, 0.00314532/step, 3.49235 hours remaining, 233.636719 MB of memory in use. ENERGY: 1002800 4028.4423 20627.0038 14477.7338 243.5995 -203335.2878 2455.4554 0.0000 0.0000 52202.5071 -109300.5459 300.0085 -161503.0530 -108933.3520 299.6908 -232.1489 -194.6606 762892.4922 8.9261 8.7394 PRESSURE: 1003000 -291.14 -200.084 -230.462 -200.084 149.166 -33.4864 -230.461 -33.486 -246.09 GPRESSURE: 1003000 -229.209 -226.673 -91.2975 -150.127 147.467 -13.2384 -281.764 -61.3774 -223.022 PRESSAVG: 1003000 -50.507 -15.9021 -27.9992 -15.9021 41.6052 2.83841 -27.9992 2.83837 21.9019 GPRESSAVG: 1003000 -48.7673 -11.5847 -28.4598 -16.5489 39.8019 3.64039 -29.3698 1.78983 21.8239 TIMING: 1003000 CPU: 3169.23, 0.0031688/step Wall: 3169.23, 0.0031688/step, 3.51825 hours remaining, 233.636719 MB of memory in use. ENERGY: 1003000 4084.1113 20444.4153 14452.7814 249.0699 -203590.1267 2757.6553 0.0000 0.0000 51981.9469 -109620.1467 298.7410 -161602.0936 -109255.9659 299.2808 -129.3546 -101.5878 761253.1079 4.3334 4.2862 PRESSURE: 1003200 -150.412 52.9231 -215.148 52.923 -226.07 13.6337 -215.148 13.6335 -229.742 GPRESSURE: 1003200 -113.813 -3.39394 -187.666 44.0811 -246.086 30.7102 -233.305 69.4072 -145.019 PRESSAVG: 1003200 -1.78198 -62.6074 29.2489 -62.6074 87.8891 -23.297 29.2489 -23.2971 16.7397 GPRESSAVG: 1003200 -2.66234 -64.9705 28.368 -62.0475 87.7828 -22.6164 30.3113 -23.2308 17.3721 TIMING: 1003200 CPU: 3169.86, 0.00315416/step Wall: 3169.86, 0.00315416/step, 3.50182 hours remaining, 233.636719 MB of memory in use. ENERGY: 1003200 3988.9776 20455.8601 14479.5533 251.8874 -203341.6281 2520.5904 0.0000 0.0000 51997.6187 -109647.1405 298.8310 -161644.7592 -109271.9412 298.4305 -202.0746 -168.3063 760414.9847 34.2822 34.1642 PRESSURE: 1003400 173.67 -128.933 143.834 -128.932 -26.374 70.4839 143.833 70.484 406.088 GPRESSURE: 1003400 193.02 -239.446 87.6079 -41.4159 -37.1453 69.1238 102.088 41.3506 475.45 PRESSAVG: 1003400 -11.7124 -25.3009 -11.4774 -25.3009 17.9127 -3.00961 -11.4773 -3.0096 -4.57121 GPRESSAVG: 1003400 -11.9901 -22.5096 -10.7202 -25.9156 17.9748 -3.06776 -11.1421 -2.61282 -4.64744 TIMING: 1003400 CPU: 3170.49, 0.00315312/step Wall: 3170.49, 0.00315312/step, 3.50049 hours remaining, 233.636719 MB of memory in use. ENERGY: 1003400 4010.8115 20481.6199 14488.4810 244.7284 -203350.6768 2671.3432 0.0000 0.0000 51861.0784 -109592.6144 298.0463 -161453.6928 -109227.6111 298.7924 184.4614 210.4415 761450.3945 0.5430 0.4458 PRESSURE: 1003600 23.7283 48.8298 -63.2946 48.8291 13.9502 43.2025 -63.2942 43.2024 36.7976 GPRESSURE: 1003600 39.5507 -88.863 -57.5453 45.7538 109.058 70.2543 -118.084 -58.5939 -5.50059 PRESSAVG: 1003600 -60.242 -22.9893 -7.7606 -22.9893 8.54033 28.3752 -7.76068 28.3752 12.3672 GPRESSAVG: 1003600 -60.5103 -28.4053 -7.93976 -21.2865 8.91829 28.1912 -9.99649 27.2123 12.4779 TIMING: 1003600 CPU: 3171.12, 0.00315582/step Wall: 3171.12, 0.00315582/step, 3.50331 hours remaining, 233.636719 MB of memory in use. ENERGY: 1003600 3956.8920 20535.1920 14511.5181 244.3845 -203213.4165 2516.7284 0.0000 0.0000 52040.2389 -109408.4626 299.0760 -161448.7014 -109042.4055 298.7023 24.8254 47.7028 762509.8265 -13.1115 -13.0380 PRESSURE: 1003800 19.2926 23.5012 0.418701 23.5017 373.6 -2.77646 0.417834 -2.77556 687.854 GPRESSURE: 1003800 126.782 64.3335 -90.1076 103.287 396.988 5.71846 9.28399 161.721 641.551 PRESSAVG: 1003800 -47.4745 -26.6649 -28.5451 -26.665 56.2515 -3.39641 -28.545 -3.39641 -15.0665 GPRESSAVG: 1003800 -47.1703 -23.6725 -29.8845 -25.7704 56.5638 -4.80856 -25.518 -1.94405 -15.845 TIMING: 1003800 CPU: 3171.75, 0.00316191/step Wall: 3171.75, 0.00316191/step, 3.50989 hours remaining, 233.636719 MB of memory in use. ENERGY: 1003800 3983.8509 20608.2714 14546.0311 254.5927 -203566.9148 2902.2583 0.0000 0.0000 51746.1701 -109525.7403 297.3860 -161271.9104 -109162.0265 298.4616 360.2487 388.4402 762375.8320 -2.0965 -2.1505 PRESSURE: 1004000 205.164 71.771 72.9842 71.7715 75.2399 -86.3445 72.9836 -86.3449 -222.934 GPRESSURE: 1004000 230.492 78.2467 139.186 93.7064 33.9834 -58.807 135.787 -285.393 -111.634 PRESSAVG: 1004000 -46.0646 -0.849256 -31.013 -0.84931 111.167 -14.4897 -31.0129 -14.4897 -21.8009 GPRESSAVG: 1004000 -45.9414 0.259344 -28.898 -1.73034 109.501 -13.4601 -30.5761 -15.4184 -20.4488 TIMING: 1004000 CPU: 3172.39, 0.0031703/step Wall: 3172.39, 0.0031703/step, 3.51903 hours remaining, 233.636719 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: 1004000 3968.8635 20462.6161 14513.3421 246.2671 -203528.7519 2680.2153 0.0000 0.0000 52119.2528 -109538.1949 299.5301 -161657.4477 -109174.2392 298.9327 19.1567 50.9473 760583.2030 14.4338 14.3704 PRESSURE: 1004200 88.8008 -5.48882 -22.0299 -5.48919 -50.6001 13.1268 -22.0299 13.1265 -184.791 GPRESSURE: 1004200 78.6993 31.174 25.8913 87.7905 114.248 46.1621 78.1636 -24.6306 -235.345 PRESSAVG: 1004200 -140.581 -26.5273 35.604 -26.5273 114.99 5.28122 35.604 5.28126 -5.62472 GPRESSAVG: 1004200 -140.28 -25.781 35.0655 -28.0536 116.208 6.39865 34.5444 3.60618 -6.54575 TIMING: 1004200 CPU: 3173.02, 0.00313825/step Wall: 3173.02, 0.00313825/step, 3.48328 hours remaining, 233.636719 MB of memory in use. ENERGY: 1004200 4093.3047 20630.3762 14521.7639 259.6524 -203542.5419 2695.1956 0.0000 0.0000 51930.8942 -109411.3550 298.4476 -161342.2491 -109052.5176 299.1153 -48.8633 -14.1328 760719.3046 -10.4053 -10.2058 LDB: ============= START OF LOAD BALANCING ============== 3185.55 LDB: ============== END OF LOAD BALANCING =============== 3185.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3185.55 LDB: ============= START OF LOAD BALANCING ============== 3185.87 LDB: Largest compute 7070 load 0.031689 is 16.2% of average load 0.195570 LDB: Average compute 0.004395 is 2.2% of average load 0.195570 LDB: TIME 3185.87 LOAD: AVG 0.19557 MAX 0.213694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.352 MB LDB: TIME 3185.87 LOAD: AVG 0.19557 MAX 0.213694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: TIME 3185.87 LOAD: AVG 0.19557 MAX 0.213694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.555 MB LDB: ============== END OF LOAD BALANCING =============== 3185.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3185.88 PRESSURE: 1004400 77.8292 -115.251 106.179 -115.252 137.708 145.556 106.179 145.556 -252.663 GPRESSURE: 1004400 191.908 -71.8644 58.7248 -106.47 157.38 160.206 26.7482 106.441 -304.379 PRESSAVG: 1004400 -5.80103 11.7819 59.0733 11.7819 16.572 -36.3241 59.0733 -36.3242 4.16974 GPRESSAVG: 1004400 -5.94049 11.3856 57.2493 12.2839 17.717 -35.9397 59.8867 -36.2478 3.988 TIMING: 1004400 CPU: 3173.66, 0.00323171/step Wall: 3173.66, 0.00323171/step, 3.58684 hours remaining, 231.312500 MB of memory in use. ENERGY: 1004400 4032.4014 20494.1622 14530.9117 232.3192 -203361.4399 2689.9244 0.0000 0.0000 52084.9746 -109296.7463 299.3331 -161381.7209 -108928.3555 299.3501 -12.3752 14.9695 762373.7665 4.9802 5.2548 PRESSURE: 1004600 -188.288 18.0532 -78.1305 18.0528 -23.86 51.4504 -78.13 51.4496 -288.522 GPRESSURE: 1004600 -159.725 60.0561 -64.8056 -3.3432 18.5816 28.3731 -98.6432 27.1706 -280.733 PRESSAVG: 1004600 -0.141862 56.6991 39.4144 56.6991 51.2593 -15.5605 39.4143 -15.5604 19.3718 GPRESSAVG: 1004600 -0.407391 54.1935 40.9799 57.742 50.7919 -16.7625 39.7944 -15.1342 19.974 TIMING: 1004600 CPU: 3174.29, 0.00316162/step Wall: 3174.29, 0.00316162/step, 3.50887 hours remaining, 231.515625 MB of memory in use. ENERGY: 1004600 3999.9274 20327.9766 14585.2503 258.1170 -203175.7258 2666.5286 0.0000 0.0000 52030.7440 -109307.1819 299.0214 -161337.9258 -108944.7152 299.0930 -166.8898 -140.6255 761354.4121 23.4964 23.4528 PRESSURE: 1004800 41.6945 193.098 -67.9305 193.099 -111.626 32.4043 -67.9299 32.4047 15.52 GPRESSURE: 1004800 134.899 121.085 -22.3054 193.476 -91.1552 -57.7273 -55.4559 131.032 -5.22101 PRESSAVG: 1004800 5.31614 10.2838 21.6267 10.2838 -12.8763 36.7416 21.6267 36.7416 -8.66449 GPRESSAVG: 1004800 7.2519 10.3393 21.8792 10.8444 -12.854 37.1246 20.1101 38.4249 -9.89799 TIMING: 1004800 CPU: 3174.92, 0.0031305/step Wall: 3174.92, 0.0031305/step, 3.47416 hours remaining, 231.515625 MB of memory in use. ENERGY: 1004800 4046.0546 20621.8965 14520.9780 249.7848 -203148.0479 2557.8829 0.0000 0.0000 51964.0086 -109187.4425 298.6379 -161151.4511 -108839.2837 298.8867 -18.1370 12.8411 762655.9482 -5.4082 -5.1667 PRESSURE: 1005000 42.5244 -136.805 -85.2423 -136.805 -97.0369 -13.4054 -85.2426 -13.4049 -126.924 GPRESSURE: 1005000 40.2299 -89.1376 -67.4601 -49.3118 -1.2917 128.849 -83.0337 88.9965 -122.241 PRESSAVG: 1005000 46.8357 -29.3887 -28.7416 -29.3886 -12.7956 -20.9326 -28.7416 -20.9326 2.10999 GPRESSAVG: 1005000 45.8832 -30.3689 -28.6352 -29.2401 -12.6878 -21.4007 -26.8007 -20.9827 2.57202 TIMING: 1005000 CPU: 3175.55, 0.00314917/step Wall: 3175.55, 0.00314917/step, 3.4947 hours remaining, 231.515625 MB of memory in use. ENERGY: 1005000 4060.3877 20390.8510 14485.7413 241.5708 -202946.2439 2577.7340 0.0000 0.0000 51962.7153 -109227.2437 298.6304 -161189.9591 -108877.2206 299.4039 -60.4790 -27.7677 761928.2829 12.0500 11.9225 PRESSURE: 1005200 -219.533 -66.2757 55.5034 -66.276 -31.3637 262.604 55.5036 262.605 -147.087 GPRESSURE: 1005200 -159.191 -17.8145 78.9471 -27.0264 -53.7909 363.369 -38.0485 130.265 -103.182 PRESSAVG: 1005200 -28.0446 5.94237 -24.9353 5.94228 60.6429 -5.83388 -24.9353 -5.83391 14.5044 GPRESSAVG: 1005200 -28.6547 7.25 -25.1006 3.75954 60.1783 -6.26169 -27.0722 -7.33395 15.479 TIMING: 1005200 CPU: 3176.18, 0.00316904/step Wall: 3176.18, 0.00316904/step, 3.51658 hours remaining, 231.515625 MB of memory in use. ENERGY: 1005200 4011.9848 20484.2277 14517.0558 232.4368 -202938.3850 2343.7570 0.0000 0.0000 52127.2222 -109221.7006 299.5759 -161348.9228 -108867.9546 299.3454 -132.6613 -105.3882 762739.7025 15.7009 15.6676 PRESSURE: 1005400 -214.869 42.494 -14.948 42.4934 -44.3387 16.4827 -14.9477 16.4826 -40.318 GPRESSURE: 1005400 -193.836 -15.6093 11.1599 9.8483 16.0084 60.9955 -7.91779 -45.7153 -33.0322 PRESSAVG: 1005400 -52.4047 -27.9253 -36.3884 -27.9253 50.3086 8.66 -36.3884 8.65997 24.5147 GPRESSAVG: 1005400 -53.3096 -28.41 -36.4094 -28.6371 50.8548 9.6499 -34.8515 8.5203 25.4252 TIMING: 1005400 CPU: 3176.82, 0.00316508/step Wall: 3176.82, 0.00316508/step, 3.51201 hours remaining, 231.515625 MB of memory in use. ENERGY: 1005400 3950.7055 20404.5987 14576.2761 250.0088 -202536.1341 2212.5037 0.0000 0.0000 51910.0128 -109232.0285 298.3276 -161142.0412 -108872.9700 298.4474 -99.8417 -70.2865 762583.8115 7.4729 7.6568 PRESSURE: 1005600 -272.242 -129.433 286.072 -129.432 -331.182 -201.587 286.072 -201.587 -533.781 GPRESSURE: 1005600 -253.532 -148.448 311.07 -158.041 -356.179 -144.058 218.899 -35.1975 -430.023 PRESSAVG: 1005600 -52.9849 -21.0518 4.16381 -21.0518 33.9008 33.8698 4.16382 33.8698 0.612833 GPRESSAVG: 1005600 -52.2117 -19.5441 4.04426 -19.531 35.5749 31.4124 1.51629 35.973 -1.21272 TIMING: 1005600 CPU: 3177.45, 0.00314512/step Wall: 3177.45, 0.00314512/step, 3.48969 hours remaining, 231.515625 MB of memory in use. ENERGY: 1005600 3987.2917 20620.7876 14530.4213 263.9731 -203101.4605 2441.2488 0.0000 0.0000 52052.5940 -109205.1441 299.1470 -161257.7381 -108851.0606 299.0037 -379.0682 -346.5782 763082.9814 -6.1571 -5.9498 PRESSURE: 1005800 -257.898 -117.67 -98.0455 -117.67 -446.246 334.432 -98.0439 334.432 147.06 GPRESSURE: 1005800 -181.51 22.9369 -64.6635 -67.6311 -379.123 265.335 -16.4428 304.584 90.9308 PRESSAVG: 1005800 12.8349 -23.0375 38.4129 -23.0375 36.6049 23.2793 38.4129 23.2793 7.87557 GPRESSAVG: 1005800 12.9118 -23.0815 37.5272 -25.0087 36.4568 25.7103 40.1496 21.3901 7.50224 TIMING: 1005800 CPU: 3178.08, 0.00316433/step Wall: 3178.08, 0.00316433/step, 3.51082 hours remaining, 231.515625 MB of memory in use. ENERGY: 1005800 3938.2663 20316.3692 14607.5238 258.8106 -203010.5394 2335.5937 0.0000 0.0000 52265.8968 -109288.0790 300.3728 -161553.9758 -108916.1417 299.3417 -185.6947 -156.5674 762013.1571 19.1051 18.9569 PRESSURE: 1006000 -274.635 -250.656 42.7631 -250.655 59.1824 -4.3422 42.763 -4.34156 -188.829 GPRESSURE: 1006000 -122.858 -267.565 183.064 -243.514 55.1956 22.0056 -35.2598 -132.115 -248.261 PRESSAVG: 1006000 26.716 -23.1706 -6.73687 -23.1706 8.92944 24.3373 -6.73688 24.3372 9.54838 GPRESSAVG: 1006000 26.8579 -22.5353 -5.97914 -22.1792 6.92147 22.1283 -8.84381 25.1531 10.5968 TIMING: 1006000 CPU: 3178.71, 0.00315528/step Wall: 3178.71, 0.00315528/step, 3.50061 hours remaining, 231.515625 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: 1006000 3942.3903 20550.3885 14577.5659 235.5211 -203478.7509 2633.6811 0.0000 0.0000 52252.9935 -109286.2104 300.2987 -161539.2040 -108929.4960 299.2384 -134.7605 -105.3080 760916.7753 15.0646 14.7920 PRESSURE: 1006200 -404.735 3.68081 -166.782 3.67992 151.449 48.0251 -166.782 48.0249 95.3845 GPRESSURE: 1006200 -367.937 57.7502 -260.621 -6.99065 233.012 92.8883 -101.743 26.2646 76.9187 PRESSAVG: 1006200 -40.2534 -34.5897 -51.0107 -34.5898 45.5454 42.7833 -51.0106 42.7831 -9.15863 GPRESSAVG: 1006200 -40.8305 -36.2395 -50.2672 -33.2333 46.0124 44.004 -49.5606 42.9618 -8.91397 TIMING: 1006200 CPU: 3179.34, 0.00314355/step Wall: 3179.34, 0.00314355/step, 3.48742 hours remaining, 231.515625 MB of memory in use. ENERGY: 1006200 3999.5004 20599.5908 14469.8556 255.6233 -203337.1624 2706.7663 0.0000 0.0000 52112.2761 -109193.5499 299.4900 -161305.8259 -108835.1999 299.3792 -52.6340 -19.3356 762337.8042 -1.2889 -1.2440 PRESSURE: 1006400 -239.718 -257.964 13.4587 -257.963 -268.394 3.2549 13.4591 3.25541 -204.884 GPRESSURE: 1006400 -255.182 -267.643 -3.94155 -174.048 -195.639 -99.0707 -30.99 6.44173 -186.026 PRESSAVG: 1006400 -8.55381 -12.2104 -63.9138 -12.2104 10.7197 16.2168 -63.9138 16.2168 -35.8221 GPRESSAVG: 1006400 -8.98068 -11.745 -65.1163 -11.7582 11.3602 16.2802 -64.2093 15.8329 -35.4317 TIMING: 1006400 CPU: 3179.97, 0.00313763/step Wall: 3179.97, 0.00313763/step, 3.48068 hours remaining, 231.515625 MB of memory in use. ENERGY: 1006400 3969.9197 20510.7449 14510.0389 240.9565 -203429.3151 2742.3462 0.0000 0.0000 52199.0445 -109256.2644 299.9886 -161455.3089 -108889.7889 299.5879 -237.6652 -212.2822 763544.0300 -11.2187 -11.0174 PRESSURE: 1006600 -74.4809 53.6057 -207.033 53.6061 216.175 209.529 -207.033 209.529 -433.03 GPRESSURE: 1006600 -28.5687 -179.026 -199.494 50.8449 189.751 131.548 -96.1263 90.5492 -353.537 PRESSAVG: 1006600 -39.3271 -34.7276 -8.65514 -34.7276 -2.34884 37.0247 -8.65511 37.0247 18.1815 GPRESSAVG: 1006600 -38.294 -37.994 -7.80188 -36.2939 -3.32262 36.5598 -7.89752 37.2286 18.3063 TIMING: 1006600 CPU: 3180.6, 0.00315155/step Wall: 3180.6, 0.00315155/step, 3.49594 hours remaining, 231.515625 MB of memory in use. ENERGY: 1006600 3993.5024 20424.2352 14529.0226 231.9230 -203118.3691 2519.5249 0.0000 0.0000 52060.4740 -109359.6871 299.1923 -161420.1611 -108987.8369 299.2836 -97.1121 -64.1181 762357.4094 -7.8315 -7.7701 PRESSURE: 1006800 -86.8297 112.484 -10.2159 112.483 -283.315 -35.8439 -10.2153 -35.8448 -266.946 GPRESSURE: 1006800 -85.1969 125.77 -56.7323 48.6357 -318.991 2.78975 60.2318 21.7093 -150.285 PRESSAVG: 1006800 19.1772 -59.7802 -33.9232 -59.7802 -7.55202 -6.21551 -33.9232 -6.21553 21.6131 GPRESSAVG: 1006800 19.1649 -56.5151 -35.0524 -59.6915 -7.04751 -5.06205 -35.0331 -6.23466 21.4127 TIMING: 1006800 CPU: 3181.23, 0.00314582/step Wall: 3181.23, 0.00314582/step, 3.48941 hours remaining, 231.515625 MB of memory in use. ENERGY: 1006800 3991.4071 20613.2436 14448.2044 242.2411 -203610.5230 2738.1797 0.0000 0.0000 52023.2089 -109554.0382 298.9781 -161577.2471 -109193.3241 298.9685 -212.3633 -184.8243 763118.6197 11.0794 11.1767 PRESSURE: 1007000 -127.269 -86.0823 40.5847 -86.0822 -75.9021 -69.4674 40.5845 -69.467 128.023 GPRESSURE: 1007000 -155.376 -82.2531 -51.0441 -34.929 80.5013 23.6751 41.7293 -50.6749 72.8199 PRESSAVG: 1007000 -28.3422 -17.9441 4.35719 -17.9441 42.2498 9.88447 4.35715 9.8845 7.2039 GPRESSAVG: 1007000 -29.8702 -19.6101 4.45501 -17.6988 42.3405 8.8344 4.47334 9.49125 8.12538 TIMING: 1007000 CPU: 3181.85, 0.0031149/step Wall: 3181.85, 0.0031149/step, 3.45494 hours remaining, 231.515625 MB of memory in use. ENERGY: 1007000 3937.6066 20462.2540 14488.5420 236.4191 -203258.3909 2504.1435 0.0000 0.0000 52090.2464 -109539.1793 299.3634 -161629.4256 -109159.9659 298.7257 -25.0493 -0.6850 763098.7141 7.0372 6.8652 PRESSURE: 1007200 -225.853 -46.4551 78.3583 -46.4546 -86.5469 -201.88 78.3592 -201.879 138.599 GPRESSURE: 1007200 -112.867 -98.3172 39.1901 -16.083 -102.74 -197.965 86.4882 -126.173 141.183 PRESSAVG: 1007200 8.78139 -28.8948 -16.8628 -28.8949 41.3589 -3.96284 -16.8628 -3.9628 7.58599 GPRESSAVG: 1007200 9.0771 -28.0693 -16.5443 -29.3054 41.053 -2.0948 -16.514 -3.71376 8.28971 TIMING: 1007200 CPU: 3182.47, 0.00311258/step Wall: 3182.47, 0.00311258/step, 3.4522 hours remaining, 231.515625 MB of memory in use. ENERGY: 1007200 3932.8588 20581.7492 14555.2585 262.3647 -203601.3105 2784.4932 0.0000 0.0000 52124.0755 -109360.5106 299.5578 -161484.5861 -109007.1690 299.2947 -57.9338 -24.8079 762140.0891 19.2421 19.4733 PRESSURE: 1007400 454.222 -202.638 61.9898 -202.638 -17.6977 -177.443 61.9902 -177.444 291.039 GPRESSURE: 1007400 461.486 -272.185 4.58387 -128.716 -2.25828 -2.10454 -38.2068 -266.589 345.838 PRESSAVG: 1007400 -47.8774 -25.9085 -52.7943 -25.9085 42.3051 -19.861 -52.7942 -19.861 20.1462 GPRESSAVG: 1007400 -46.0693 -25.866 -51.7036 -24.7091 41.9666 -22.023 -50.6366 -18.8314 19.5224 TIMING: 1007400 CPU: 3183.1, 0.00313548/step Wall: 3183.1, 0.00313548/step, 3.47742 hours remaining, 231.515625 MB of memory in use. ENERGY: 1007400 3931.3804 20699.7307 14517.9596 247.5517 -203462.9814 2891.3556 0.0000 0.0000 51978.0165 -109196.9868 298.7184 -161175.0033 -108842.1215 299.0780 242.5210 268.3551 761482.3901 4.8580 5.1399 PRESSURE: 1007600 41.1523 -135.511 137.081 -135.512 243.972 -25.5123 137.08 -25.512 -253.691 GPRESSURE: 1007600 18.2624 -237.284 148.273 -204.077 287.337 25.3217 142.254 -114.662 -202.265 PRESSAVG: 1007600 9.06766 -11.6793 -78.9337 -11.6793 -4.59452 -19.84 -78.9337 -19.84 -4.55558 GPRESSAVG: 1007600 7.24749 -10.1623 -79.3479 -13.2343 -3.92118 -18.9357 -82.1871 -21.5897 -2.99992 TIMING: 1007600 CPU: 3183.73, 0.00315106/step Wall: 3183.73, 0.00315106/step, 3.49453 hours remaining, 231.515625 MB of memory in use. ENERGY: 1007600 3980.1524 20374.0946 14439.2741 250.5851 -203450.9269 2651.6491 0.0000 0.0000 52439.7607 -109315.4108 301.3720 -161755.1715 -108956.1589 299.5046 10.4777 34.4448 762734.5201 -0.0275 0.1088 PRESSURE: 1007800 -283.815 -214.796 -167.676 -214.795 -257.466 288.816 -167.676 288.817 -288.597 GPRESSURE: 1007800 -242.037 -189.47 -261.343 -66.2067 -260.248 253.068 -113.299 255.51 -270.428 PRESSAVG: 1007800 -35.1961 -45.1374 11.5525 -45.1374 14.9389 -28.2359 11.5524 -28.2359 3.21478 GPRESSAVG: 1007800 -35.0299 -46.3956 11.1665 -42.2644 15.3152 -29.0863 13.0351 -26.5086 2.47553 TIMING: 1007800 CPU: 3184.35, 0.00312845/step Wall: 3184.35, 0.00312845/step, 3.46927 hours remaining, 231.515625 MB of memory in use. ENERGY: 1007800 3977.7817 20656.4827 14636.6211 260.3305 -203215.5923 2676.1154 0.0000 0.0000 51833.6593 -109174.6017 297.8888 -161008.2610 -108817.1662 299.8918 -276.6259 -257.5708 763899.2804 -5.6808 -5.7464 PRESSURE: 1008000 -149.232 -150.746 279.785 -150.748 36.6328 79.5461 279.786 79.5477 348.688 GPRESSURE: 1008000 -125.274 -174.211 289.888 -190.377 37.8819 13.175 150.93 15.8812 407.3 PRESSAVG: 1008000 -21.2077 -90.6668 -18.0568 -90.6667 24.1719 27.7088 -18.0568 27.7089 9.21441 GPRESSAVG: 1008000 -19.8365 -90.6404 -16.941 -91.3211 23.0263 28.4449 -18.2223 24.9162 9.32443 TIMING: 1008000 CPU: 3184.98, 0.00314244/step Wall: 3184.98, 0.00314244/step, 3.48462 hours remaining, 231.515625 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: 1008000 4002.3921 20600.0941 14506.8524 252.8351 -203292.0546 2734.7731 0.0000 0.0000 52157.4513 -109037.6566 299.7496 -161195.1079 -108669.2849 299.7933 78.6962 106.6359 763324.9129 4.0596 4.1714 PRESSURE: 1008200 64.1064 130.624 101.309 130.625 174.067 58.8214 101.309 58.8211 276.508 GPRESSURE: 1008200 58.7403 99.0138 61.5358 157.63 206.301 64.1973 84.016 129.907 325.252 PRESSAVG: 1008200 -24.027 -41.8669 -18.652 -41.8669 -9.33324 35.0867 -18.6521 35.0867 -3.62951 GPRESSAVG: 1008200 -24.4649 -41.6773 -19.9032 -42.8403 -7.91314 34.2679 -16.7538 36.9204 -4.70579 TIMING: 1008200 CPU: 3185.61, 0.00313601/step Wall: 3185.61, 0.00313601/step, 3.47731 hours remaining, 231.515625 MB of memory in use. ENERGY: 1008200 4103.3812 20565.7012 14512.5015 231.5741 -203349.6209 2863.9038 0.0000 0.0000 52149.4156 -108923.1434 299.7034 -161072.5590 -108569.6087 300.1303 171.5605 196.7646 765129.8241 -12.3299 -12.3613 LDB: ============= START OF LOAD BALANCING ============== 3198.14 LDB: ============== END OF LOAD BALANCING =============== 3198.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3198.14 LDB: ============= START OF LOAD BALANCING ============== 3198.46 LDB: Largest compute 7046 load 0.030434 is 15.6% of average load 0.195419 LDB: Average compute 0.004380 is 2.2% of average load 0.195419 LDB: TIME 3198.46 LOAD: AVG 0.195419 MAX 0.211701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.289 MB LDB: TIME 3198.46 LOAD: AVG 0.195419 MAX 0.211701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: TIME 3198.46 LOAD: AVG 0.195419 MAX 0.211701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.289 MB LDB: ============== END OF LOAD BALANCING =============== 3198.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3198.47 PRESSURE: 1008400 -205.419 -232.068 -95.2805 -232.068 -123.03 79.5995 -95.28 79.5997 14.5141 GPRESSURE: 1008400 -137.146 -226.176 7.75773 -164.979 -139.626 114.663 -58.022 35.4348 36.3551 PRESSAVG: 1008400 -41.1906 -63.2299 -0.299261 -63.2299 39.972 10.3153 -0.299216 10.3153 19.7541 GPRESSAVG: 1008400 -41.5846 -62.1936 0.924155 -62.3915 39.43 11.8948 -4.04957 10.1646 20.9096 TIMING: 1008400 CPU: 3186.25, 0.0032111/step Wall: 3186.25, 0.0032111/step, 3.56039 hours remaining, 232.878906 MB of memory in use. ENERGY: 1008400 3953.6933 20598.6473 14588.3101 244.7379 -203007.1277 2658.1230 0.0000 0.0000 52130.1756 -108833.4407 299.5928 -160963.6163 -108475.8178 299.9159 -104.6448 -80.1389 764704.2409 6.1785 6.2516 PRESSURE: 1008600 -113.324 77.5825 -265.983 77.5811 -45.1953 136.685 -265.982 136.687 -81.2278 GPRESSURE: 1008600 -116.37 108.262 -283.304 36.3079 -40.8247 119.875 -237.496 7.40918 -6.91785 PRESSAVG: 1008600 -5.93139 -41.3498 -10.3987 -41.3498 -8.69638 -16.943 -10.3986 -16.943 8.56195 GPRESSAVG: 1008600 -5.00963 -42.852 -10.3288 -42.3392 -9.09161 -17.2214 -8.74927 -16.8333 8.34852 TIMING: 1008600 CPU: 3186.88, 0.00311748/step Wall: 3186.88, 0.00311748/step, 3.45641 hours remaining, 232.878906 MB of memory in use. ENERGY: 1008600 4007.7483 20636.9756 14573.2681 236.7827 -203350.4205 2582.0812 0.0000 0.0000 52420.6455 -108892.9191 301.2622 -161313.5646 -108516.8908 300.4920 -79.9156 -54.7043 762411.0699 -2.0219 -1.9176 PRESSURE: 1008800 -386.945 -147.193 133.907 -147.194 -133.871 -103.187 133.907 -103.187 271.953 GPRESSURE: 1008800 -319.655 -200.068 138.143 -123.804 -58.5628 -55.7743 113.649 -80.5126 225.253 PRESSAVG: 1008800 3.35931 -65.3126 3.50853 -65.3126 -10.1811 -46.9806 3.50856 -46.9807 -3.50398 GPRESSAVG: 1008800 4.19896 -64.6948 3.65192 -63.7371 -9.72813 -46.71 4.68108 -46.7812 -3.99573 TIMING: 1008800 CPU: 3187.5, 0.00313124/step Wall: 3187.5, 0.00313124/step, 3.47151 hours remaining, 232.878906 MB of memory in use. ENERGY: 1008800 4081.6519 20451.5409 14556.6189 237.2019 -203331.4895 2626.8912 0.0000 0.0000 52237.9224 -109139.6622 300.2121 -161377.5846 -108778.0798 299.9350 -82.9540 -50.9883 761812.9783 -3.4419 -3.1750 PRESSURE: 1009000 -160.415 -79.5726 77.1103 -79.5725 76.8074 97.9485 77.1104 97.9485 118.69 GPRESSURE: 1009000 -120.723 -28.7671 141.869 -115.181 194.518 81.6458 67.9209 219.081 49.7055 PRESSAVG: 1009000 21.3263 -61.3485 53.6346 -61.3484 33.2802 -4.47006 53.6347 -4.47 -1.36826 GPRESSAVG: 1009000 20.212 -60.3244 53.4006 -60.9116 33.6983 -4.85679 54.2395 -4.86574 -1.07818 TIMING: 1009000 CPU: 3188.12, 0.00311113/step Wall: 3188.12, 0.00311113/step, 3.44903 hours remaining, 232.878906 MB of memory in use. ENERGY: 1009000 4012.0037 20521.5224 14520.5400 249.4083 -203079.7340 2408.5067 0.0000 0.0000 51976.6205 -109391.1324 298.7104 -161367.7530 -109029.4584 299.4825 11.6940 41.1669 761266.0757 17.7460 17.6107 PRESSURE: 1009200 -194.232 -178.941 -131.505 -178.94 -54.9213 -66.3597 -131.506 -66.3605 -414.006 GPRESSURE: 1009200 -190.525 -112.208 -153.364 -167.889 -54.6928 -41.6353 -117.076 -56.7153 -320.889 PRESSAVG: 1009200 52.7251 -45.469 26.0285 -45.469 -30.2548 69.6238 26.0285 69.6238 4.316 GPRESSAVG: 1009200 52.4307 -45.3246 25.2912 -47.1242 -29.7674 69.0149 24.1704 71.4028 4.57661 TIMING: 1009200 CPU: 3188.75, 0.00314765/step Wall: 3188.75, 0.00314765/step, 3.48935 hours remaining, 232.878906 MB of memory in use. ENERGY: 1009200 4063.0317 20522.6063 14519.4478 250.6508 -203219.4824 2687.3688 0.0000 0.0000 51779.6806 -109396.6964 297.5785 -161176.3769 -109041.1929 299.1094 -221.0531 -188.7023 762783.0489 8.9288 9.0800 PRESSURE: 1009400 13.2194 86.325 183.584 86.3248 2.53744 -83.1304 183.584 -83.1296 1.94297 GPRESSURE: 1009400 109.839 -35.9352 148.263 205.816 -6.06168 -72.0711 330.011 -33.7487 15.2325 PRESSAVG: 1009400 96.4964 -30.2136 9.43906 -30.2137 -78.287 11.8281 9.43901 11.8281 -0.611814 GPRESSAVG: 1009400 97.6387 -32.3316 8.51995 -26.5762 -78.8227 11.319 11.3821 12.2903 -0.814274 TIMING: 1009400 CPU: 3189.38, 0.00313181/step Wall: 3189.38, 0.00313181/step, 3.47161 hours remaining, 232.878906 MB of memory in use. ENERGY: 1009400 3952.5948 20489.5070 14561.4857 255.9587 -203311.9176 2649.0772 0.0000 0.0000 52031.8556 -109371.4386 299.0278 -161403.2942 -109000.5440 299.3042 5.8999 39.6699 762645.3209 5.8659 6.0005 PRESSURE: 1009600 224.777 -157.457 93.8283 -157.457 -165.128 82.4886 93.8286 82.4874 -11.7949 GPRESSURE: 1009600 247.699 -152.627 126.576 -97.9379 -166.305 125.922 34.0521 49.6516 26.7205 PRESSAVG: 1009600 45.104 -13.0854 68.6683 -13.0854 -37.7138 39.2178 68.6683 39.2178 -10.8769 GPRESSAVG: 1009600 45.466 -11.061 68.6923 -15.9359 -37.5263 42.6887 68.6092 35.4076 -11.1403 TIMING: 1009600 CPU: 3190.01, 0.00313426/step Wall: 3190.01, 0.00313426/step, 3.47415 hours remaining, 232.878906 MB of memory in use. ENERGY: 1009600 3929.2319 20484.2486 14482.9054 241.7322 -203291.6106 2363.1643 0.0000 0.0000 52433.7342 -109356.5939 301.3374 -161790.3281 -108994.2333 299.0284 15.9514 36.0384 761559.3725 -1.1623 -1.0669 PRESSURE: 1009800 -186.663 112.571 48.2015 112.571 9.6776 -84.0461 48.2014 -84.0463 -124.891 GPRESSURE: 1009800 -105.8 134.067 213.703 -25.6207 -11.8292 -146.374 27.6207 -25.8185 -87.8099 PRESSAVG: 1009800 25.1061 -35.8842 -37.0359 -35.8841 -52.4344 -25.0518 -37.0358 -25.0518 4.97009 GPRESSAVG: 1009800 25.3669 -35.2416 -35.3316 -36.9464 -51.8373 -26.3592 -40.0807 -23.1935 4.49148 TIMING: 1009800 CPU: 3190.63, 0.0031302/step Wall: 3190.63, 0.0031302/step, 3.46948 hours remaining, 232.878906 MB of memory in use. ENERGY: 1009800 3987.6894 20409.7179 14493.6697 263.9147 -202739.4955 2336.3607 0.0000 0.0000 51866.5345 -109381.6086 298.0777 -161248.1431 -109030.3874 298.8443 -100.6254 -68.4795 762001.8722 -7.4527 -7.3263 PRESSURE: 1010000 -147.73 -65.4798 -179.1 -65.4801 33.8374 424.539 -179.1 424.54 -9.96309 GPRESSURE: 1010000 -75.403 -61.6186 -159.803 -70.0592 -0.991887 437.962 -65.5058 280.83 35.9064 PRESSAVG: 1010000 42.1728 -51.3445 -16.5372 -51.3445 -57.9884 39.3959 -16.5372 39.3961 -21.4143 GPRESSAVG: 1010000 41.5452 -51.9263 -17.8632 -50.2933 -58.1381 38.3685 -13.675 38.5863 -20.3458 TIMING: 1010000 CPU: 3191.26, 0.00312104/step Wall: 3191.26, 0.00312104/step, 3.45916 hours remaining, 232.878906 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: 1010000 3912.3524 20453.4047 14519.6962 241.0128 -202975.3175 2586.5712 0.0000 0.0000 51868.1848 -109394.0954 298.0872 -161262.2802 -109025.6706 298.9492 -41.2851 -13.4962 761750.4729 -12.4100 -12.3129 PRESSURE: 1010200 63.1822 10.0684 6.53924 10.0684 165.445 -28.5802 6.5392 -28.581 -108.046 GPRESSURE: 1010200 53.7247 84.6114 28.1003 -79.1766 147.486 63.681 -103.306 -185.348 21.9376 PRESSAVG: 1010200 8.29972 -43.0403 28.1078 -43.0403 -30.5411 9.36858 28.1078 9.36862 5.98094 GPRESSAVG: 1010200 8.1471 -43.3948 28.9476 -43.0677 -31.3983 10.4561 26.4496 9.67593 7.60107 TIMING: 1010200 CPU: 3191.89, 0.00315508/step Wall: 3191.89, 0.00315508/step, 3.4967 hours remaining, 232.878906 MB of memory in use. ENERGY: 1010200 3974.9293 20473.8757 14548.2464 256.7526 -203523.1457 2798.1252 0.0000 0.0000 52220.1593 -109251.0572 300.1100 -161471.2165 -108886.7903 299.5137 40.1938 74.3827 760900.3556 -5.4202 -5.2167 PRESSURE: 1010400 91.9054 -2.6306 -272.741 -2.62987 -231.156 -141.758 -272.742 -141.758 423.403 GPRESSURE: 1010400 110.013 0.382076 -237.337 -153.894 -110.46 -128.635 -284.304 -59.2957 389.985 PRESSAVG: 1010400 -23.8245 -24.625 -53.9459 -24.6249 32.8332 19.0041 -53.9458 19.0041 10.8963 GPRESSAVG: 1010400 -23.1956 -24.638 -56.0814 -25.0516 33.3469 18.6224 -51.682 18.7577 9.65914 TIMING: 1010400 CPU: 3192.52, 0.00314668/step Wall: 3192.52, 0.00314668/step, 3.48722 hours remaining, 232.878906 MB of memory in use. ENERGY: 1010400 3923.9521 20443.1090 14514.0857 235.8651 -203241.6557 2822.1586 0.0000 0.0000 52069.0001 -109233.4851 299.2413 -161302.4852 -108878.0240 299.5046 94.7174 129.8460 761266.3871 6.6350 6.6035 PRESSURE: 1010600 82.0687 119.503 -196.679 119.504 -138.079 312.83 -196.679 312.83 41.573 GPRESSURE: 1010600 67.9538 -30.2213 -92.4529 -10.8345 -96.7532 260.882 -122.347 351.41 103.712 PRESSAVG: 1010600 3.03323 -0.44522 -43.0795 -0.445218 -3.32774 70.5263 -43.0794 70.5262 18.4807 GPRESSAVG: 1010600 3.21449 -1.64683 -41.2279 0.60769 -3.96686 70.5765 -43.8772 72.0078 18.7268 TIMING: 1010600 CPU: 3193.14, 0.00312239/step Wall: 3193.14, 0.00312239/step, 3.46012 hours remaining, 232.878906 MB of memory in use. ENERGY: 1010600 3990.2510 20501.6171 14551.2585 251.2077 -203183.5559 2627.8197 0.0000 0.0000 51920.3767 -109341.0251 298.3871 -161261.4018 -108985.8786 299.2664 -4.8124 24.9708 762044.3317 6.0620 5.9915 PRESSURE: 1010800 -28.4623 -49.3738 -160.042 -49.3735 -255.226 -50.633 -160.042 -50.6323 -170.706 GPRESSURE: 1010800 -63.4016 -160.466 -106.667 15.9603 -198.344 -61.9868 -207.628 -37.4977 -113.68 PRESSAVG: 1010800 8.84376 19.0537 13.0835 19.0537 -13.4431 30.1941 13.0835 30.194 -0.75107 GPRESSAVG: 1010800 7.42158 17.259 13.0574 19.3524 -11.9251 28.7334 13.8998 32.5142 -1.38134 TIMING: 1010800 CPU: 3193.77, 0.00312747/step Wall: 3193.77, 0.00312747/step, 3.46558 hours remaining, 232.878906 MB of memory in use. ENERGY: 1010800 3975.5907 20505.8964 14479.1587 236.6186 -203388.7093 2695.9351 0.0000 0.0000 52104.8446 -109390.6651 299.4473 -161495.5097 -109029.9944 299.0751 -151.4649 -125.1420 761792.8160 -1.7835 -1.9616 PRESSURE: 1011000 349.415 44.8709 -180.039 44.8725 -11.0534 -138.446 -180.038 -138.445 63.2021 GPRESSURE: 1011000 365.717 71.9639 -115.735 6.08628 115.766 -82.0239 -154.96 -149.211 10.3866 PRESSAVG: 1011000 14.6943 -12.3508 -82.2167 -12.3507 -31.837 -6.11275 -82.2167 -6.11273 2.78609 GPRESSAVG: 1011000 14.4243 -9.50709 -82.3199 -14.6836 -31.5209 -3.90293 -83.6195 -9.55683 2.7592 TIMING: 1011000 CPU: 3194.4, 0.00314218/step Wall: 3194.4, 0.00314218/step, 3.48171 hours remaining, 232.878906 MB of memory in use. ENERGY: 1011000 3947.1097 20498.4200 14513.5615 239.5991 -203491.3653 2716.1038 0.0000 0.0000 51980.7149 -109595.8563 298.7339 -161576.5712 -109236.0612 298.7923 133.8547 163.9564 759735.7034 -4.7855 -4.7791 PRESSURE: 1011200 288.972 40.1483 225.153 40.1493 151.646 89.1859 225.153 89.1858 427.258 GPRESSURE: 1011200 278.233 -126.791 172.937 50.3042 210.491 25.4655 162.126 21.2866 476.605 PRESSAVG: 1011200 22.7073 62.9254 -3.9879 62.9254 -34.8933 -22.055 -3.98793 -22.055 -12.289 GPRESSAVG: 1011200 24.2962 60.5773 -2.97028 62.9316 -36.5402 -22.9229 -4.2196 -19.8598 -11.751 TIMING: 1011200 CPU: 3195.02, 0.00313822/step Wall: 3195.02, 0.00313822/step, 3.47715 hours remaining, 232.878906 MB of memory in use. ENERGY: 1011200 3927.1061 20449.7261 14571.7839 253.7440 -203473.9411 2743.6749 0.0000 0.0000 52259.3282 -109268.5780 300.3351 -161527.9062 -108905.8510 298.9326 289.2921 321.7765 760600.5914 -8.1583 -7.9983 PRESSURE: 1011400 -338.792 -223.31 -112.704 -223.31 -289.093 -194.519 -112.706 -194.519 -197.996 GPRESSURE: 1011400 -195.567 -147.481 -90.6648 -198.247 -287.584 -79.1946 60.6017 -232.97 -238.009 PRESSAVG: 1011400 -26.7427 -30.9936 -67.7663 -30.9937 33.0494 3.30192 -67.7664 3.30192 12.574 GPRESSAVG: 1011400 -27.126 -29.6398 -69.3085 -29.7508 32.6317 5.97699 -66.9102 1.95716 12.7578 TIMING: 1011400 CPU: 3195.65, 0.00313589/step Wall: 3195.65, 0.00313589/step, 3.47439 hours remaining, 232.878906 MB of memory in use. ENERGY: 1011400 3952.5010 20363.1129 14530.8225 230.5258 -203104.2230 2407.8499 0.0000 0.0000 52019.0749 -109600.3360 298.9543 -161619.4109 -109240.6312 298.7349 -275.2939 -240.3866 761917.4524 6.2936 6.0878 PRESSURE: 1011600 -156.421 -206.804 -132.032 -206.805 -110.698 -44.2264 -132.032 -44.2256 -84.4182 GPRESSURE: 1011600 -93.9764 -149.091 -157.685 -162.538 -200.699 -27.1259 -121.483 -31.4 27.0459 PRESSAVG: 1011600 -48.2145 48.3798 -38.374 48.3798 18.4626 -31.5343 -38.3741 -31.5343 3.22318 GPRESSAVG: 1011600 -48.0915 50.2746 -38.3923 47.8754 18.847 -34.337 -39.1173 -31.2733 3.18097 TIMING: 1011600 CPU: 3196.28, 0.00314415/step Wall: 3196.28, 0.00314415/step, 3.48336 hours remaining, 232.878906 MB of memory in use. ENERGY: 1011600 3944.3830 20197.7589 14493.8080 254.1149 -202961.4463 2517.0033 0.0000 0.0000 51956.2132 -109598.1651 298.5931 -161554.3783 -109238.8406 298.2032 -117.1791 -89.2097 762268.4822 -8.8429 -8.6879 PRESSURE: 1011800 -87.9262 -73.527 68.7283 -73.5272 -169.594 139.593 68.728 139.594 -34.624 GPRESSURE: 1011800 -39.9085 -19.1552 73.9308 -3.5993 -127.926 87.9648 74.6565 165.371 -46.2243 PRESSAVG: 1011800 0.221947 36.3656 -18.0098 36.3655 26.5318 1.23896 -18.0098 1.23887 -21.4229 GPRESSAVG: 1011800 0.366227 36.9123 -16.7548 36.1675 26.8722 1.80021 -17.2359 0.0750426 -22.4467 TIMING: 1011800 CPU: 3196.91, 0.00315485/step Wall: 3196.91, 0.00315485/step, 3.49505 hours remaining, 232.878906 MB of memory in use. ENERGY: 1011800 3918.7791 20462.4957 14475.4596 253.0330 -202869.8127 2173.4476 0.0000 0.0000 51968.5776 -109618.0200 298.6641 -161586.5976 -109255.6176 298.7765 -97.3813 -71.3528 759300.0934 1.7770 1.5972 PRESSURE: 1012000 -402.279 -80.7376 161.095 -80.737 -105.533 -211.65 161.095 -211.651 -350.42 GPRESSURE: 1012000 -384.381 -91.2056 234.724 7.97141 -45.0295 -309.087 106.567 -39.4813 -345.025 PRESSAVG: 1012000 49.7543 39.4006 28.599 39.4006 -39.4827 -2.93784 28.599 -2.93791 10.6339 GPRESSAVG: 1012000 48.7098 38.9483 28.6634 39.3394 -40.0454 -4.01204 27.932 -3.07103 12.0607 TIMING: 1012000 CPU: 3197.54, 0.00314083/step Wall: 3197.54, 0.00314083/step, 3.47935 hours remaining, 232.878906 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: 1012000 3984.7747 20407.6404 14547.6365 253.0780 -202995.5775 2426.3979 0.0000 0.0000 52066.7418 -109309.3082 299.2283 -161376.0499 -108950.5126 299.0404 -286.0774 -258.1453 762100.9997 6.9685 6.9084 PRESSURE: 1012200 -89.6084 191.391 -68.319 191.391 -72.3938 -73.9158 -68.3188 -73.9147 122.214 GPRESSURE: 1012200 -32.9772 187.023 -143.04 -51.1719 -19.2205 -19.7659 -12.5406 -60.9067 92.7185 PRESSAVG: 1012200 41.971 42.3419 18.7099 42.342 -10.9023 2.97964 18.7099 2.97972 -16.9437 GPRESSAVG: 1012200 42.8252 40.9603 17.3798 44.0737 -11.4241 3.99682 18.8113 4.31526 -17.5043 TIMING: 1012200 CPU: 3198.17, 0.0031491/step Wall: 3198.17, 0.0031491/step, 3.48833 hours remaining, 232.878906 MB of memory in use. ENERGY: 1012200 3923.2539 20465.1613 14498.2759 235.4081 -203554.6703 2825.5645 0.0000 0.0000 52259.0276 -109347.9789 300.3333 -161607.0065 -108983.1506 299.3993 -13.2627 13.5069 761808.3927 4.7083 4.6323 LDB: ============= START OF LOAD BALANCING ============== 3210.7 LDB: ============== END OF LOAD BALANCING =============== 3210.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3210.7 LDB: ============= START OF LOAD BALANCING ============== 3211.02 LDB: Largest compute 7031 load 0.030791 is 15.8% of average load 0.195288 LDB: Average compute 0.004374 is 2.2% of average load 0.195288 LDB: TIME 3211.02 LOAD: AVG 0.195288 MAX 0.21567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.16 MB LDB: TIME 3211.02 LOAD: AVG 0.195288 MAX 0.21567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: TIME 3211.02 LOAD: AVG 0.195288 MAX 0.21567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: ============== END OF LOAD BALANCING =============== 3211.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3211.03 PRESSURE: 1012400 -351.702 17.7326 46.0904 17.7333 -310.438 93.58 46.0897 93.5807 -449.063 GPRESSURE: 1012400 -256.916 12.5535 93.624 -78.7946 -352.436 69.0723 -1.36662 -68.5444 -436.005 PRESSAVG: 1012400 58.298 -3.7712 -43.5411 -3.77122 -12.0677 4.90072 -43.5411 4.90074 -2.88043 GPRESSAVG: 1012400 58.2481 -6.71758 -44.7724 -4.9637 -11.388 4.40249 -42.5896 2.45673 -3.0458 TIMING: 1012400 CPU: 3198.81, 0.00320686/step Wall: 3198.81, 0.00320686/step, 3.55213 hours remaining, 232.937500 MB of memory in use. ENERGY: 1012400 4056.5444 20476.3663 14512.9185 265.1561 -203189.4280 2528.5909 0.0000 0.0000 51962.2796 -109387.5722 298.6279 -161349.8518 -109024.0568 299.4296 -370.4007 -348.4523 761798.3076 14.4500 14.6048 PRESSURE: 1012600 422.365 -40.7503 -161.255 -40.7503 175.854 -19.546 -161.255 -19.5461 198.561 GPRESSURE: 1012600 469.317 -144.219 -211.117 35.1884 172.24 123.914 -154.302 -38.3673 251.049 PRESSAVG: 1012600 -16.3603 10.5381 -14.4535 10.5381 -28.1532 5.17467 -14.4535 5.17465 -10.6696 GPRESSAVG: 1012600 -16.6754 14.4108 -12.7068 9.35797 -27.5713 5.76281 -14.9121 6.45579 -10.4026 TIMING: 1012600 CPU: 3199.44, 0.0031281/step Wall: 3199.44, 0.0031281/step, 3.46472 hours remaining, 232.937500 MB of memory in use. ENERGY: 1012600 3967.1936 20467.6145 14463.9683 235.7723 -203769.5395 2889.9074 0.0000 0.0000 52225.4584 -109519.6250 300.1404 -161745.0834 -109163.1007 298.4452 265.5932 297.5355 759600.6816 -18.3944 -18.2164 PRESSURE: 1012800 -33.0629 2.21838 89.9036 2.21927 45.0844 19.6843 89.9031 19.6839 134.465 GPRESSURE: 1012800 108.327 -7.82705 23.0672 -18.0154 47.3169 36.4652 57.1313 132.179 76.8349 PRESSAVG: 1012800 10.7937 -41.8603 -7.78955 -41.8602 7.91896 2.25798 -7.78952 2.25789 10.4358 GPRESSAVG: 1012800 10.53 -42.605 -7.66865 -41.8556 7.25814 2.80406 -9.25501 2.62483 10.7842 TIMING: 1012800 CPU: 3200.06, 0.00313291/step Wall: 3200.06, 0.00313291/step, 3.46988 hours remaining, 232.937500 MB of memory in use. ENERGY: 1012800 3980.3512 20346.4095 14473.8664 247.0847 -203451.0617 2689.3597 0.0000 0.0000 52072.1599 -109641.8303 299.2594 -161713.9902 -109289.9907 298.5038 48.8289 77.4931 761171.7252 9.7162 9.5241 PRESSURE: 1013000 -57.3332 -37.9823 246.814 -37.9829 -369.034 -51.9325 246.813 -51.9318 39.3669 GPRESSURE: 1013000 -53.0744 -26.1778 289.007 -5.52069 -328.398 -19.6574 27.8209 -140.832 72.7894 PRESSAVG: 1013000 17.7645 11.8586 -29.3146 11.8586 -44.0648 -44.1074 -29.3147 -44.1074 -15.6461 GPRESSAVG: 1013000 19.4826 9.83287 -29.645 12.787 -44.4588 -44.4497 -30.1993 -44.0536 -17.4377 TIMING: 1013000 CPU: 3200.69, 0.00313138/step Wall: 3200.69, 0.00313138/step, 3.46801 hours remaining, 232.937500 MB of memory in use. ENERGY: 1013000 3889.0413 20329.7355 14524.5085 244.7054 -202818.2510 2335.5619 0.0000 0.0000 51958.5618 -109536.1367 298.6066 -161494.6985 -109159.3717 298.6049 -129.0001 -102.8944 764285.2224 -13.9821 -14.1380 PRESSURE: 1013200 270.926 -150.52 -69.793 -150.52 312.861 -189.346 -69.7924 -189.346 -76.6566 GPRESSURE: 1013200 340.877 -191.909 -1.69761 -83.4688 336.718 -87.4656 107.366 -174.788 -76.7699 PRESSAVG: 1013200 7.18423 -13.7385 -25.8342 -13.7385 -20.4126 -1.21186 -25.8341 -1.21186 -17.0537 GPRESSAVG: 1013200 6.96289 -12.1019 -25.965 -12.7751 -20.0882 -1.67841 -22.8664 -0.243837 -17.0303 TIMING: 1013200 CPU: 3201.32, 0.0031322/step Wall: 3201.32, 0.0031322/step, 3.46874 hours remaining, 232.937500 MB of memory in use. ENERGY: 1013200 4009.1587 20396.6490 14539.1696 231.5124 -203834.6804 3097.9016 0.0000 0.0000 52012.7738 -109547.5153 298.9181 -161560.2891 -109186.7570 298.4102 169.0436 200.2751 760555.4440 -10.0940 -10.0518 PRESSURE: 1013400 -81.4419 197.057 161.335 197.058 158.874 -54.6245 161.335 -54.6255 241.361 GPRESSURE: 1013400 -52.0377 46.2204 146.382 170.874 258.639 -60.6591 83.837 -97.3199 193.344 PRESSAVG: 1013400 -1.06139 -5.97962 -38.3156 -5.97957 -31.0351 -40.1044 -38.3156 -40.1044 -5.50018 GPRESSAVG: 1013400 -2.13776 -5.6066 -39.4924 -10.0768 -30.4804 -40.7093 -36.5528 -40.2013 -5.29888 TIMING: 1013400 CPU: 3201.94, 0.00311681/step Wall: 3201.94, 0.00311681/step, 3.45153 hours remaining, 232.937500 MB of memory in use. ENERGY: 1013400 4050.2804 20428.6882 14476.9251 228.6634 -203081.4149 2533.9904 0.0000 0.0000 51937.9288 -109424.9385 298.4880 -161362.8673 -109059.2431 299.2221 106.2646 133.3152 761601.0105 -12.5322 -12.6390 PRESSURE: 1013600 -313.307 -59.9128 32.3188 -59.9127 -247.485 112.842 32.3191 112.842 -301.655 GPRESSURE: 1013600 -277.827 -45.9216 -2.9709 20.6537 -216.192 124.42 41.2775 164.303 -301.011 PRESSAVG: 1013600 -23.6881 -33.6422 52.8538 -33.6422 -13.4943 32.276 52.8537 32.276 3.05944 GPRESSAVG: 1013600 -25.9437 -32.2842 54.662 -31.6019 -12.3575 30.0975 49.5679 32.5665 4.45543 TIMING: 1013600 CPU: 3202.56, 0.00313222/step Wall: 3202.56, 0.00313222/step, 3.46841 hours remaining, 232.937500 MB of memory in use. ENERGY: 1013600 3991.3610 20212.0160 14484.8135 269.2132 -203307.7214 2812.6403 0.0000 0.0000 51999.0354 -109538.6420 298.8392 -161537.6774 -109176.4532 299.0729 -287.4822 -265.0099 762448.3718 -11.3743 -11.2819 PRESSURE: 1013800 -122.704 -14.4415 -73.0604 -14.4413 -128.402 -52.2995 -73.0595 -52.2994 19.4982 GPRESSURE: 1013800 -86.2182 5.25804 -0.537771 56.1754 -176.556 -1.30505 -51.0704 -79.4415 96.7462 PRESSAVG: 1013800 -26.2084 42.3291 -29.0162 42.3291 35.4073 66.5132 -29.0161 66.5132 -10.5143 GPRESSAVG: 1013800 -24.3129 39.7913 -30.1805 42.556 33.7232 68.6256 -29.0519 66.1634 -11.0027 TIMING: 1013800 CPU: 3203.19, 0.00312974/step Wall: 3203.19, 0.00312974/step, 3.46549 hours remaining, 232.937500 MB of memory in use. ENERGY: 1013800 3989.5070 20419.1314 14418.7374 259.3309 -203274.1545 2702.2263 0.0000 0.0000 52071.7478 -109413.4737 299.2571 -161485.2215 -109053.9361 298.4657 -77.2027 -55.3427 760824.5486 -0.4384 -0.5308 PRESSURE: 1014000 84.768 61.1756 134.783 61.1752 32.6035 114.372 134.783 114.372 -36.8038 GPRESSURE: 1014000 140.446 -50.3112 183.702 29.0011 18.7735 75.7975 155.453 124.141 9.86151 PRESSAVG: 1014000 30.4626 -19.9049 -30.5859 -19.9049 -28.4898 57.3014 -30.5859 57.3015 -18.0113 GPRESSAVG: 1014000 30.6393 -18.099 -30.3044 -21.6401 -27.7732 57.429 -30.1924 57.6738 -18.0069 TIMING: 1014000 CPU: 3203.82, 0.00313877/step Wall: 3203.82, 0.00313877/step, 3.47531 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: 1014000 3945.3483 20409.8817 14466.8757 235.0254 -203288.3403 2612.2536 0.0000 0.0000 52089.7604 -109529.1952 299.3606 -161618.9556 -109172.9980 298.8098 26.8559 56.3602 761502.9367 -5.3462 -5.0470 PRESSURE: 1014200 224.413 20.0452 3.15628 20.0451 -103.747 66.336 3.15664 66.3369 161.291 GPRESSURE: 1014200 195.636 90.5013 -114.637 -46.2838 9.57933 -35.7416 -62.187 83.5398 157.74 PRESSAVG: 1014200 34.7474 -23.879 -2.318 -23.8791 14.425 48.3724 -2.31789 48.3724 -0.188838 GPRESSAVG: 1014200 34.9479 -25.106 -3.39811 -23.4612 13.7321 47.6378 -2.34467 47.1069 1.18233 TIMING: 1014200 CPU: 3204.45, 0.00313394/step Wall: 3204.45, 0.00313394/step, 3.4698 hours remaining, 232.937500 MB of memory in use. ENERGY: 1014200 3982.5178 20357.2824 14405.1043 241.1362 -203386.8726 2756.8166 0.0000 0.0000 52181.9033 -109462.1119 299.8901 -161644.0151 -109094.1897 298.6835 93.9858 120.9851 760853.8273 16.3279 16.6208 PRESSURE: 1014400 93.5385 -243.034 62.9019 -243.035 9.551 71.4814 62.902 71.4811 -8.33823 GPRESSURE: 1014400 231.114 -313.119 92.6676 -207.345 -15.665 -14.7865 87.2596 15.2347 -21.1619 PRESSAVG: 1014400 24.0656 -19.1163 -9.42409 -19.1163 -1.52118 -12.5933 -9.42409 -12.5933 10.7583 GPRESSAVG: 1014400 24.7618 -19.8229 -6.86929 -17.7717 -1.33066 -11.2129 -8.30706 -13.9089 9.36474 TIMING: 1014400 CPU: 3205.07, 0.00312156/step Wall: 3205.07, 0.00312156/step, 3.45591 hours remaining, 232.937500 MB of memory in use. ENERGY: 1014400 3956.4624 20372.2826 14448.3179 267.0984 -203034.1610 2602.1606 0.0000 0.0000 51990.0683 -109397.7708 298.7876 -161387.8390 -109037.8632 298.7373 31.5838 64.7625 762192.3911 11.1009 10.9320 PRESSURE: 1014600 20.3021 79.7094 169.006 79.709 -161.648 -49.0539 169.006 -49.0544 318.246 GPRESSURE: 1014600 20.9155 142.806 152.669 87.8399 -36.1024 -123.087 94.1386 29.9598 251.685 PRESSAVG: 1014600 48.6216 12.346 0.877136 12.346 -34.1751 47.4554 0.877116 47.4554 5.88381 GPRESSAVG: 1014600 48.1596 13.4781 2.15782 12.1523 -33.1984 46.7844 -1.28899 48.3768 5.73756 TIMING: 1014600 CPU: 3205.69, 0.00311756/step Wall: 3205.69, 0.00311756/step, 3.45131 hours remaining, 232.937500 MB of memory in use. ENERGY: 1014600 3917.3857 20255.8262 14516.8620 263.4233 -203433.9618 2528.5942 0.0000 0.0000 52155.5811 -109796.2893 299.7388 -161951.8704 -109431.2370 298.5144 58.9666 78.8328 762371.5074 6.7768 6.8996 PRESSURE: 1014800 103.756 -23.1855 -149.582 -23.1865 -69.842 -6.68122 -149.584 -6.68073 -97.8245 GPRESSURE: 1014800 113.075 32.9756 -145.146 18.9596 -40.0582 31.2027 -110.334 130.292 -58.1417 PRESSAVG: 1014800 -2.0795 -2.80034 56.2094 -2.80032 -11.0576 25.5745 56.2094 25.5745 -18.6091 GPRESSAVG: 1014800 -1.70969 -0.697473 53.8339 -1.95323 -11.571 25.9315 57.461 27.0425 -18.6514 TIMING: 1014800 CPU: 3206.32, 0.00312829/step Wall: 3206.32, 0.00312829/step, 3.46302 hours remaining, 232.937500 MB of memory in use. ENERGY: 1014800 3945.8264 20552.0794 14446.4173 246.1414 -204007.0678 3203.2508 0.0000 0.0000 52032.3927 -109580.9597 299.0309 -161613.3525 -109232.7988 298.3231 -21.3034 4.9583 760275.0034 -10.5821 -10.6440 PRESSURE: 1015000 111.473 43.9036 -0.521868 43.904 -49.9557 107.311 -0.522019 107.312 -324.549 GPRESSURE: 1015000 165.848 -107.88 -15.6208 -27.1375 28.0769 72.5452 26.116 14.7373 -399.924 PRESSAVG: 1015000 -27.4056 -73.6925 7.4166 -73.6926 21.2473 29.1352 7.41666 29.1352 -30.8416 GPRESSAVG: 1015000 -27.1405 -76.96 7.00646 -73.29 20.9766 29.4421 8.4925 26.5706 -30.7872 TIMING: 1015000 CPU: 3206.95, 0.00314368/step Wall: 3206.95, 0.00314368/step, 3.47988 hours remaining, 232.937500 MB of memory in use. ENERGY: 1015000 3922.1807 20274.3118 14472.3705 279.7966 -203481.7918 2649.3390 0.0000 0.0000 52032.6742 -109851.1189 299.0325 -161883.7932 -109481.6913 298.2615 -87.6772 -68.6666 759159.7715 -12.3333 -12.3170 PRESSURE: 1015200 -337.397 22.4345 -130.306 22.4353 157.135 146.452 -130.305 146.451 -245.705 GPRESSURE: 1015200 -305.652 18.1162 -254.433 -97.5576 243.473 169.698 -74.4169 111.021 -274.165 PRESSAVG: 1015200 -0.0760387 -50.8713 37.6893 -50.8713 24.3501 9.9949 37.6894 9.99483 6.57622 GPRESSAVG: 1015200 -0.288841 -48.0023 36.3577 -53.1834 24.2703 7.42429 38.4343 12.1786 6.13382 TIMING: 1015200 CPU: 3207.58, 0.00314624/step Wall: 3207.58, 0.00314624/step, 3.48254 hours remaining, 232.937500 MB of memory in use. ENERGY: 1015200 3937.8676 20520.5923 14490.1180 243.0947 -203526.6446 2480.2338 0.0000 0.0000 51882.8290 -109971.9091 298.1713 -161854.7381 -109605.0860 298.1670 -141.9893 -112.1145 760505.7646 10.2834 10.0384 PRESSURE: 1015400 299.505 -132.556 32.1902 -132.556 283.008 -269.873 32.1912 -269.873 -101.465 GPRESSURE: 1015400 346.966 -195.64 -35.5974 -123.819 251.45 -221.287 -22.5467 -230.021 -5.80427 PRESSAVG: 1015400 -20.1746 -43.194 11.4919 -43.1941 20.5772 6.77324 11.4919 6.7733 -3.0687 GPRESSAVG: 1015400 -20.8816 -46.0986 13.7476 -40.5551 20.4739 8.00752 9.45768 9.08688 -2.61842 TIMING: 1015400 CPU: 3208.21, 0.00315459/step Wall: 3208.21, 0.00315459/step, 3.49161 hours remaining, 232.937500 MB of memory in use. ENERGY: 1015400 4077.2769 20465.5207 14489.2634 224.5107 -203816.2539 2939.8224 0.0000 0.0000 51786.2807 -109833.5792 297.6165 -161619.8598 -109482.9208 298.1178 160.3491 197.5372 760068.6379 -0.8887 -1.0087 PRESSURE: 1015600 -213.666 -202.694 139.614 -202.695 -259.663 -128.338 139.613 -128.338 -180.499 GPRESSURE: 1015600 -263.116 -245.476 76.3077 -151.689 -106.654 -84.4816 195.203 -217.612 -175.571 PRESSAVG: 1015600 -26.6624 -79.11 -11.5527 -79.11 29.2325 0.52963 -11.5527 0.529613 -2.97102 GPRESSAVG: 1015600 -27.0681 -77.9009 -11.5502 -78.1281 29.0134 2.31661 -10.7303 -1.32321 -2.57456 TIMING: 1015600 CPU: 3208.84, 0.00315372/step Wall: 3208.84, 0.00315372/step, 3.49047 hours remaining, 232.937500 MB of memory in use. ENERGY: 1015600 3930.7957 20505.1393 14467.8317 247.1478 -203365.1158 2556.4678 0.0000 0.0000 51862.6173 -109795.1163 298.0552 -161657.7336 -109441.1681 297.9267 -217.9425 -181.7805 760272.6356 -0.1336 -0.2098 PRESSURE: 1015800 114.005 -108.62 15.7745 -108.62 11.6916 -23.6665 15.7747 -23.6681 -205.599 GPRESSURE: 1015800 185.022 -118.097 41.8226 -13.6549 -63.9866 -13.826 -18.8236 -110.349 -129.46 PRESSAVG: 1015800 -37.6537 -51.9678 35.4159 -51.9678 34.7768 24.7278 35.4159 24.7278 21.8699 GPRESSAVG: 1015800 -37.4195 -53.3672 33.8786 -52.643 34.2259 22.9733 35.6082 21.9799 21.6603 TIMING: 1015800 CPU: 3209.47, 0.00314451/step Wall: 3209.47, 0.00314451/step, 3.4801 hours remaining, 232.937500 MB of memory in use. ENERGY: 1015800 4022.1111 20333.3004 14484.2003 260.8315 -203280.4225 2422.4623 0.0000 0.0000 52121.7016 -109635.8154 299.5441 -161757.5170 -109278.6650 297.9088 -26.6340 -2.8082 760703.7308 6.3310 6.1556 PRESSURE: 1016000 -66.1716 -126.86 132.758 -126.859 130.676 104.61 132.759 104.609 297.718 GPRESSURE: 1016000 -6.97975 -107.387 157.901 -102.141 134.82 102.593 38.2145 16.9264 307.432 PRESSAVG: 1016000 -25.7088 -11.1085 55.0344 -11.1085 37.4543 27.3086 55.0344 27.3086 27.0564 GPRESSAVG: 1016000 -26.2676 -9.13578 54.4405 -13.0818 38.7716 28.688 55.0072 29.7714 26.8747 TIMING: 1016000 CPU: 3210.1, 0.00315025/step Wall: 3210.1, 0.00315025/step, 3.48627 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: 1016000 3942.6173 20331.8152 14485.7248 243.9430 -202976.6088 2566.1394 0.0000 0.0000 51691.9118 -109714.4573 297.0741 -161406.3691 -109361.5442 297.9702 120.7406 145.0908 761700.2702 12.9339 13.1262 PRESSURE: 1016200 38.1152 -68.3157 71.65 -68.316 65.7072 29.2495 71.6498 29.2486 -108.201 GPRESSURE: 1016200 210.901 -156.276 128.086 -126.819 45.11 -15.5685 123.032 11.8918 -139.973 PRESSAVG: 1016200 -25.4218 -8.76934 -43.5676 -8.76937 16.0065 39.9365 -43.5677 39.9365 -14.0154 GPRESSAVG: 1016200 -23.5769 -10.1436 -43.2742 -8.23606 15.7555 40.1865 -42.1739 38.1565 -15.0975 TIMING: 1016200 CPU: 3210.73, 0.00316153/step Wall: 3210.73, 0.00316153/step, 3.49859 hours remaining, 232.937500 MB of memory in use. ENERGY: 1016200 3919.9157 20398.3144 14428.9456 239.7246 -202925.4784 2477.1345 0.0000 0.0000 51848.1342 -109613.3094 297.9719 -161461.4436 -109248.1617 298.2388 -1.4596 38.6795 761201.0792 -7.8103 -7.6396 LDB: ============= START OF LOAD BALANCING ============== 3223.26 LDB: ============== END OF LOAD BALANCING =============== 3223.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3223.26 LDB: ============= START OF LOAD BALANCING ============== 3223.58 LDB: Largest compute 7042 load 0.031801 is 16.3% of average load 0.195279 LDB: Average compute 0.004388 is 2.2% of average load 0.195279 LDB: TIME 3223.59 LOAD: AVG 0.195279 MAX 0.213167 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.117 MB LDB: TIME 3223.59 LOAD: AVG 0.195279 MAX 0.213167 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.25 MB LDB: TIME 3223.59 LOAD: AVG 0.195279 MAX 0.213167 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.25 MB LDB: ============== END OF LOAD BALANCING =============== 3223.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3223.59 PRESSURE: 1016400 -151.882 -81.0097 100.604 -81.0102 -176.448 215.229 100.603 215.228 338.515 GPRESSURE: 1016400 -144.585 -113.347 146.956 -33.9081 -98.6119 130.848 101.162 253.956 366.577 PRESSAVG: 1016400 -11.8341 -12.379 29.6989 -12.379 -26.2622 5.00654 29.699 5.0066 -4.46733 GPRESSAVG: 1016400 -12.1295 -12.9891 32.0585 -10.8381 -26.9673 3.72733 28.4631 6.56321 -3.4671 TIMING: 1016400 CPU: 3211.38, 0.00323551/step Wall: 3211.38, 0.00323551/step, 3.58027 hours remaining, 232.878906 MB of memory in use. ENERGY: 1016400 4077.7431 20415.9266 14380.4916 257.9525 -202986.1468 2430.6295 0.0000 0.0000 51806.9459 -109616.4577 297.7352 -161423.4036 -109254.8913 298.0314 3.3952 41.1266 762057.0159 -14.1878 -14.1880 PRESSURE: 1016600 -283.446 100.507 9.82743 100.507 -175.701 194.761 9.82711 194.762 -148.773 GPRESSURE: 1016600 -209.694 78.6274 34.9615 94.4932 -138.735 155.114 -71.1969 240.71 -166.746 PRESSAVG: 1016600 39.3499 -15.189 -22.9976 -15.189 -28.2447 27.0128 -22.9976 27.0128 19.8995 GPRESSAVG: 1016600 37.9052 -11.3242 -21.0329 -18.4141 -27.3244 27.1935 -23.2442 27.9283 20.5304 TIMING: 1016600 CPU: 3212.01, 0.00314849/step Wall: 3212.01, 0.00314849/step, 3.4838 hours remaining, 232.878906 MB of memory in use. ENERGY: 1016600 4092.8181 20490.9093 14507.1589 251.7770 -203160.0057 2625.6286 0.0000 0.0000 51730.8694 -109460.8444 297.2980 -161191.7138 -109109.4159 298.4574 -202.6401 -171.7249 761869.3966 10.3349 10.3704 PRESSURE: 1016800 -105.065 -52.3773 -81.8042 -52.3769 -136.687 77.0969 -81.8046 77.0962 -87.4925 GPRESSURE: 1016800 -54.6027 -144.345 -89.9176 -35.3309 -146.888 87.403 12.5537 20.0141 -45.6338 PRESSAVG: 1016800 48.4131 -2.4934 29.8038 -2.49337 -15.236 27.6209 29.8039 27.6209 -26.3724 GPRESSAVG: 1016800 49.1393 -4.18356 27.6349 -2.2034 -14.8852 28.579 29.436 26.4779 -27.3884 TIMING: 1016800 CPU: 3212.64, 0.00315146/step Wall: 3212.64, 0.00315146/step, 3.48691 hours remaining, 233.003906 MB of memory in use. ENERGY: 1016800 4002.9663 20530.6526 14476.1368 277.9265 -203074.5693 2509.6112 0.0000 0.0000 51813.2563 -109464.0196 297.7715 -161277.2759 -109113.3143 298.9278 -109.7482 -82.3748 763228.0154 2.2682 2.2886 PRESSURE: 1017000 149.415 -35.238 99.9453 -35.2382 -51.5715 162.126 99.9449 162.126 177.292 GPRESSURE: 1017000 120.224 -18.0678 102.527 -23.0516 27.2221 190.141 29.0096 152.191 211.485 PRESSAVG: 1017000 -16.494 32.9841 26.1652 32.9841 -32.4773 48.7584 26.1651 48.7584 6.24193 GPRESSAVG: 1017000 -15.6087 31.7302 25.3963 34.6019 -33.2305 48.9981 27.8954 47.6936 6.22699 TIMING: 1017000 CPU: 3213.27, 0.00314908/step Wall: 3213.27, 0.00314908/step, 3.48411 hours remaining, 233.003906 MB of memory in use. ENERGY: 1017000 3977.6975 20521.0560 14543.4803 231.1196 -203180.6767 2627.6971 0.0000 0.0000 51923.1908 -109356.4354 298.4033 -161279.6262 -108998.7912 298.6022 91.7118 119.6438 762914.5743 -14.2431 -14.2041 PRESSURE: 1017200 314.499 39.7271 41.0501 39.7267 -280.946 30.8785 41.0504 30.8791 0.607314 GPRESSURE: 1017200 260.723 -64.3387 -9.55461 51.8392 -236.22 88.7248 35.9558 -40.2507 81.4644 PRESSAVG: 1017200 2.31918 -20.6955 16.3667 -20.6956 -5.5031 -1.9489 16.3666 -1.94894 9.75801 GPRESSAVG: 1017200 1.41919 -17.9043 16.4233 -19.8945 -4.8721 -2.74173 14.3341 -1.84007 10.1349 TIMING: 1017200 CPU: 3213.9, 0.00315565/step Wall: 3213.9, 0.00315565/step, 3.49121 hours remaining, 233.003906 MB of memory in use. ENERGY: 1017200 3973.2679 20537.5099 14487.3712 256.1219 -203143.3532 2603.3485 0.0000 0.0000 52166.9717 -109118.7621 299.8043 -161285.7338 -108754.5376 299.2623 11.3867 35.3223 760783.2416 2.1914 2.2273 PRESSURE: 1017400 -302.083 151.426 83.8764 151.426 -48.8038 -96.6727 83.8767 -96.6721 -178.978 GPRESSURE: 1017400 -223.528 130.761 88.958 76.1949 -26.8188 -105.521 136.18 0.297244 -179.409 PRESSAVG: 1017400 -25.1019 -83.7433 -12.3762 -83.7434 28.8316 39.9224 -12.3763 39.9224 5.6534 GPRESSAVG: 1017400 -24.2624 -87.3593 -12.7016 -86.0696 28.4783 40.292 -10.8402 41.9219 5.573 TIMING: 1017400 CPU: 3214.53, 0.00316937/step Wall: 3214.53, 0.00316937/step, 3.5062 hours remaining, 233.003906 MB of memory in use. ENERGY: 1017400 3898.1406 20495.0452 14444.7056 255.3657 -202724.0704 2432.5282 0.0000 0.0000 52066.6564 -109131.6285 299.2278 -161198.2849 -108760.4417 299.2653 -176.6214 -143.2522 761839.3894 3.1277 3.2630 PRESSURE: 1017600 -113.751 3.76708 -248.101 3.76662 -165.026 -5.42837 -248.101 -5.4285 410.074 GPRESSURE: 1017600 -81.0164 123.302 -259.617 -50.7488 -97.8216 -23.1452 -324.636 -0.315759 400.149 PRESSAVG: 1017600 20.1545 -32.7278 47.9303 -32.7278 -30.8879 32.4539 47.9303 32.4539 4.06723 GPRESSAVG: 1017600 20.2757 -31.3538 49.1513 -30.7545 -31.2668 31.6859 46.1615 31.543 4.02604 TIMING: 1017600 CPU: 3215.17, 0.00316721/step Wall: 3215.17, 0.00316721/step, 3.50363 hours remaining, 233.003906 MB of memory in use. ENERGY: 1017600 4015.2610 20536.1057 14568.4972 247.7394 -202818.9450 2342.4431 0.0000 0.0000 51958.8591 -109150.0394 298.6083 -161108.8985 -108793.1140 299.2809 43.7660 73.7704 762369.4413 -2.2221 -2.3217 PRESSURE: 1017800 137.526 -180.019 1.48061 -180.019 122.051 296.37 1.48125 296.371 -0.138643 GPRESSURE: 1017800 167.855 -101.711 15.5517 -243.604 70.2855 291.496 148.146 221.229 100.489 PRESSAVG: 1017800 49.8446 -15.0444 73.7979 -15.0443 -3.60887 50.7527 73.7978 50.7527 10.2138 GPRESSAVG: 1017800 49.7789 -13.7669 74.5003 -15.2563 -3.87861 51.0356 75.0957 51.4296 11.3417 TIMING: 1017800 CPU: 3215.8, 0.00316022/step Wall: 3215.8, 0.00316022/step, 3.49573 hours remaining, 233.003906 MB of memory in use. ENERGY: 1017800 3999.4790 20645.5738 14539.8248 230.2331 -202885.8247 2299.6454 0.0000 0.0000 51946.4814 -109224.5872 298.5371 -161171.0686 -108861.3068 299.7429 86.4796 112.8765 760169.7715 18.8165 19.0807 PRESSURE: 1018000 216.436 -101.64 -185.802 -101.64 219.501 -59.0244 -185.803 -59.0237 285.387 GPRESSURE: 1018000 270.86 -198.756 -213.551 -101.205 274.971 -48.104 -238.489 -88.8213 274.708 PRESSAVG: 1018000 2.02509 -33.137 26.8072 -33.137 -34.4045 -27.845 26.8072 -27.845 4.98935 GPRESSAVG: 1018000 3.17216 -34.9667 25.0428 -32.904 -33.4861 -28.6923 27.6247 -29.4843 2.85496 TIMING: 1018000 CPU: 3216.43, 0.00315966/step Wall: 3216.43, 0.00315966/step, 3.49493 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: 1018000 3913.3084 20333.0291 14398.0559 259.5949 -203485.0168 2744.6583 0.0000 0.0000 52445.6822 -109390.6879 301.4061 -161836.3701 -109028.2431 299.1148 240.4412 273.5127 760316.4815 -9.1300 -9.1530 PRESSURE: 1018200 233.468 -185.963 -43.7202 -185.963 106.024 -128.112 -43.7197 -128.111 92.2216 GPRESSURE: 1018200 193.624 -158.273 -6.29541 -198.7 188.835 -206.453 -78.3185 -124.821 135.07 PRESSAVG: 1018200 36.5336 -58.6219 14.2573 -58.6219 50.2756 -19.5004 14.2572 -19.5005 -9.15563 GPRESSAVG: 1018200 36.8215 -58.4675 14.6892 -59.8004 49.8241 -20.1224 12.5431 -17.574 -8.63144 TIMING: 1018200 CPU: 3217.06, 0.00315406/step Wall: 3217.06, 0.00315406/step, 3.48856 hours remaining, 233.003906 MB of memory in use. ENERGY: 1018200 3964.2100 20511.0541 14490.8732 249.3735 -203440.9510 2580.6607 0.0000 0.0000 52100.7255 -109544.0540 299.4236 -161644.7795 -109187.0470 298.9891 143.9046 172.5096 760341.1719 25.8845 26.0047 PRESSURE: 1018400 35.6065 -213.579 -19.2114 -213.579 18.0666 391.444 -19.2111 391.443 245.583 GPRESSURE: 1018400 101.166 -164.168 -32.5124 -193.748 35.3573 360.064 94.9756 368.621 250.25 PRESSAVG: 1018400 -4.23875 -30.4744 -48.6765 -30.4744 -2.60043 -2.51602 -48.6765 -2.51608 -3.06028 GPRESSAVG: 1018400 -5.26042 -28.5631 -49.0103 -30.1609 -2.28302 -2.0042 -48.9144 -3.0895 -2.80171 TIMING: 1018400 CPU: 3217.69, 0.00314521/step Wall: 3217.69, 0.00314521/step, 3.4786 hours remaining, 233.003906 MB of memory in use. ENERGY: 1018400 3946.0331 20393.6182 14505.9307 248.2006 -203211.3844 2679.0240 0.0000 0.0000 52051.4679 -109387.1100 299.1405 -161438.5779 -109030.7841 298.8159 99.7520 128.9244 761011.2423 -3.2998 -3.4484 PRESSURE: 1018600 -241.701 71.4398 -161.004 71.4397 199.669 35.1853 -161.004 35.1841 -136.856 GPRESSURE: 1018600 -56.7708 125.598 -91.0257 150.88 147.099 -9.80776 -281.959 50.6422 -162.949 PRESSAVG: 1018600 -7.18432 2.07349 23.3044 2.07348 37.5397 -55.0319 23.3043 -55.0319 -16.6309 GPRESSAVG: 1018600 -6.68789 1.86368 24.3327 2.14258 37.5737 -54.3055 23.5436 -55.7527 -16.9279 TIMING: 1018600 CPU: 3218.32, 0.0031455/step Wall: 3218.32, 0.0031455/step, 3.47875 hours remaining, 233.003906 MB of memory in use. ENERGY: 1018600 3966.5997 20417.6726 14421.7863 253.6889 -202983.1797 2481.4535 0.0000 0.0000 52141.1525 -109300.8262 299.6559 -161441.9787 -108929.2171 299.3815 -59.6292 -24.2070 763288.8626 4.5748 4.6526 PRESSURE: 1018800 133.116 62.6019 48.6839 62.6017 -9.93415 -228.221 48.6839 -228.22 111.785 GPRESSURE: 1018800 163.93 26.6892 95.1402 105.468 99.1193 -211.563 55.8751 -202.586 87.5474 PRESSAVG: 1018800 -2.07515 -17.11 -1.01135 -17.11 37.6663 8.90894 -1.01128 8.90891 -0.74315 GPRESSAVG: 1018800 -2.39751 -17.8384 -1.41013 -16.6219 38.4648 8.3666 -0.499556 9.52349 -1.12153 TIMING: 1018800 CPU: 3218.95, 0.00315535/step Wall: 3218.95, 0.00315535/step, 3.48947 hours remaining, 233.003906 MB of memory in use. ENERGY: 1018800 3936.9520 20496.9291 14480.9981 255.5363 -203179.2814 2682.3480 0.0000 0.0000 52067.1007 -109259.4173 299.2303 -161326.5180 -108887.6500 299.1702 78.3221 116.8656 762217.3878 11.6160 11.6486 PRESSURE: 1019000 -255.284 -59.0033 118.632 -59.003 -179.217 79.2452 118.633 79.2451 -99.8391 GPRESSURE: 1019000 -159.996 -65.887 117.005 8.15562 -127.433 32.4248 155.465 160.31 -142.964 PRESSAVG: 1019000 26.4357 40.0857 72.4033 40.0857 -0.584338 63.8819 72.4033 63.8819 -3.22976 GPRESSAVG: 1019000 26.7128 41.6742 72.4143 37.7886 -1.30171 64.7523 74.252 63.7247 -3.17239 TIMING: 1019000 CPU: 3219.58, 0.00316762/step Wall: 3219.58, 0.00316762/step, 3.50285 hours remaining, 233.003906 MB of memory in use. ENERGY: 1019000 3986.5118 20502.7431 14496.3584 247.8203 -203015.0712 2565.1784 0.0000 0.0000 51881.3568 -109335.1024 298.1629 -161216.4592 -108979.3268 298.3973 -178.1134 -143.4643 763511.1746 7.5405 7.4129 PRESSURE: 1019200 -547.866 -68.2994 -219.159 -68.3 -14.6782 103.58 -219.159 103.579 -213.304 GPRESSURE: 1019200 -574.956 -53.8131 -282.298 -39.4085 -38.8216 164.436 -174.91 -82.965 -85.1965 PRESSAVG: 1019200 -69.6319 -18.2245 -44.8357 -18.2245 39.0617 33.7268 -44.8358 33.7269 -18.1862 GPRESSAVG: 1019200 -69.6087 -17.9208 -45.9204 -18.748 37.5078 33.9985 -44.7512 35.4541 -16.3976 TIMING: 1019200 CPU: 3220.21, 0.00314999/step Wall: 3220.21, 0.00314999/step, 3.48319 hours remaining, 233.003906 MB of memory in use. ENERGY: 1019200 4083.9422 20427.2480 14435.0904 233.4426 -202752.1063 2518.8089 0.0000 0.0000 52019.3527 -109034.2215 298.9559 -161053.5742 -108671.6078 298.7320 -258.6162 -232.9913 763548.0959 -16.2521 -16.1662 PRESSURE: 1019400 68.9714 -118.702 -294.359 -118.702 -93.3353 -111.202 -294.359 -111.202 -170.44 GPRESSURE: 1019400 112.268 -132.718 -360.859 -29.7845 -108.901 -85.4602 -192.892 -102.888 -139.275 PRESSAVG: 1019400 12.1855 -62.4442 -7.5658 -62.4442 -1.46548 -11.4997 -7.56584 -11.4997 13.6831 GPRESSAVG: 1019400 11.4498 -65.1396 -6.51455 -60.154 -0.151368 -11.792 -10.8983 -11.9075 13.302 TIMING: 1019400 CPU: 3220.84, 0.00315881/step Wall: 3220.84, 0.00315881/step, 3.49277 hours remaining, 233.003906 MB of memory in use. ENERGY: 1019400 4019.4520 20739.3108 14490.3547 251.1346 -203225.3604 2495.4917 0.0000 0.0000 52028.8072 -109200.8093 299.0103 -161229.6165 -108839.0699 299.6570 -64.9346 -45.3025 761768.5070 8.1344 8.2002 PRESSURE: 1019600 -45.9812 -192.124 74.2141 -192.124 5.94294 -87.8234 74.2143 -87.8244 -90.9105 GPRESSURE: 1019600 -16.9252 -241.513 98.1752 -119.605 66.0378 26.0284 96.7282 -66.3754 -127.031 PRESSAVG: 1019600 -72.6635 -31.4878 49.0688 -31.4877 27.1397 19.3734 49.0688 19.3734 9.45038 GPRESSAVG: 1019600 -72.3415 -31.5653 49.1937 -30.3643 27.7299 20.4143 50.1057 18.0461 8.45798 TIMING: 1019600 CPU: 3221.47, 0.00315099/step Wall: 3221.47, 0.00315099/step, 3.48394 hours remaining, 233.003906 MB of memory in use. ENERGY: 1019600 3930.3237 20507.6935 14471.9641 256.5646 -203279.1381 2705.3275 0.0000 0.0000 52083.7144 -109323.5503 299.3258 -161407.2647 -108963.5542 299.1573 -43.6496 -25.9727 763326.0250 -12.0245 -12.0512 PRESSURE: 1019800 227.44 114.136 32.1896 114.136 496.173 203.562 32.1898 203.561 -67.2858 GPRESSURE: 1019800 209.543 252.592 45.5221 1.92705 602.44 238.112 0.0693144 396.948 -54.9391 PRESSAVG: 1019800 13.9836 15.4761 80.4032 15.476 33.5486 0.66826 80.4032 0.668274 -32.9862 GPRESSAVG: 1019800 13.2918 17.5876 80.4885 14.0978 34.4931 0.0572805 81.639 2.13159 -33.6436 TIMING: 1019800 CPU: 3222.11, 0.00315715/step Wall: 3222.11, 0.00315715/step, 3.49058 hours remaining, 233.003906 MB of memory in use. ENERGY: 1019800 3905.5461 20370.7528 14454.2653 242.2949 -203501.6087 2874.0121 0.0000 0.0000 52341.2817 -109313.4559 300.8061 -161654.7376 -108942.9083 299.0549 218.7757 252.3478 761120.8242 4.8487 4.7138 PRESSURE: 1020000 -500.426 -23.2937 339.154 -23.2935 -177.333 -55.1929 339.154 -55.1933 181.726 GPRESSURE: 1020000 -314.794 72.085 269.62 -22.7626 -165.153 -0.984784 311.039 -118.806 85.155 PRESSAVG: 1020000 13.5436 11.9301 41.0019 11.9302 -6.83317 4.48682 41.0019 4.48684 -0.728324 GPRESSAVG: 1020000 13.3971 11.4173 40.9819 9.37262 -7.41985 4.48241 41.7118 3.57928 0.00250783 TIMING: 1020000 CPU: 3222.74, 0.00318056/step Wall: 3222.74, 0.00318056/step, 3.51629 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: 1020000 3971.6489 20273.1818 14449.5530 279.1398 -203149.9342 2728.2440 0.0000 0.0000 52030.0005 -109418.1663 299.0171 -161448.1667 -109052.6425 298.8149 -165.3442 -131.5976 763335.8989 1.9940 1.9933 PRESSURE: 1020200 54.6194 241.754 6.73645 241.754 -100.775 -81.9591 6.73598 -81.9603 420.7 GPRESSURE: 1020200 96.916 179.782 -3.31985 319.024 -27.245 -16.4887 -68.5335 -105.597 380.315 PRESSAVG: 1020200 43.7886 40.9416 8.97807 40.9417 -19.3129 16.7538 8.97809 16.7538 5.94724 GPRESSAVG: 1020200 42.8117 39.3157 7.67567 44.0572 -19.3098 14.9501 6.55165 17.7202 5.73694 TIMING: 1020200 CPU: 3223.37, 0.00316281/step Wall: 3223.37, 0.00316281/step, 3.49649 hours remaining, 233.003906 MB of memory in use. ENERGY: 1020200 3971.5749 20477.2616 14506.7972 245.1369 -203147.0917 2713.6229 0.0000 0.0000 51954.7893 -109277.9089 298.5849 -161232.6982 -108907.1160 298.8401 124.8482 149.9954 761597.7533 10.1410 9.7463 LDB: ============= START OF LOAD BALANCING ============== 3235.91 LDB: ============== END OF LOAD BALANCING =============== 3235.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3235.91 LDB: ============= START OF LOAD BALANCING ============== 3236.23 LDB: Largest compute 7042 load 0.032730 is 16.8% of average load 0.195234 LDB: Average compute 0.004396 is 2.3% of average load 0.195234 LDB: TIME 3236.23 LOAD: AVG 0.195234 MAX 0.213498 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.16 MB LDB: TIME 3236.23 LOAD: AVG 0.195234 MAX 0.213498 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: TIME 3236.23 LOAD: AVG 0.195234 MAX 0.213498 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.16 MB LDB: ============== END OF LOAD BALANCING =============== 3236.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3236.24 PRESSURE: 1020400 105.253 -15.1938 43.9539 -15.1939 -152.493 171.942 43.9526 171.941 149.165 GPRESSURE: 1020400 257.498 -47.836 109.842 -92.5115 -164.106 137.122 98.6398 306.449 126.445 PRESSAVG: 1020400 33.6367 -41.3439 33.7489 -41.3439 14.1518 2.14118 33.7489 2.14116 1.1499 GPRESSAVG: 1020400 33.9074 -39.9146 36.0812 -40.4443 12.9973 2.59345 34.516 2.32675 1.69841 TIMING: 1020400 CPU: 3224.02, 0.00324692/step Wall: 3224.02, 0.00324692/step, 3.58929 hours remaining, 232.878906 MB of memory in use. ENERGY: 1020400 4035.8094 20323.0183 14477.1062 241.0680 -203413.0284 2816.4662 0.0000 0.0000 52073.3676 -109446.1928 299.2664 -161519.5604 -109080.7029 298.2266 33.9751 73.2791 761580.4750 16.3128 16.2010 PRESSURE: 1020600 -19.1197 18.4569 -151.17 18.4565 165.277 106.056 -151.17 106.056 388.167 GPRESSURE: 1020600 -14.7392 -1.04907 -196.749 -28.6251 227.186 58.8091 -6.37048 95.148 405.768 PRESSAVG: 1020600 -68.7103 0.316729 28.6096 0.316743 69.0893 -59.1985 28.6096 -59.1985 0.0158614 GPRESSAVG: 1020600 -68.0707 0.920023 27.5863 -1.98585 69.0849 -58.2744 29.3125 -61.2593 -0.891839 TIMING: 1020600 CPU: 3224.66, 0.00316861/step Wall: 3224.66, 0.00316861/step, 3.50254 hours remaining, 232.878906 MB of memory in use. ENERGY: 1020600 3987.1677 20497.4117 14438.1266 259.2556 -204100.7886 3388.9355 0.0000 0.0000 52161.7791 -109368.1124 299.7745 -161529.8915 -109000.5621 298.8616 178.1083 206.0718 761999.9768 0.1316 0.0408 PRESSURE: 1020800 -281.849 -147.91 93.2501 -147.912 82.702 -56.1404 93.2504 -56.1402 -336.799 GPRESSURE: 1020800 -138.925 -143.414 41.6798 -148.545 -8.79151 -40.5734 43.3807 -80.2875 -279.947 PRESSAVG: 1020800 -21.1009 -10.2968 46.57 -10.2968 17.8167 1.33826 46.57 1.3382 19.2459 GPRESSAVG: 1020800 -20.9099 -11.0249 47.7926 -8.64234 17.8316 0.649094 46.1411 0.773472 19.1891 TIMING: 1020800 CPU: 3225.29, 0.00314707/step Wall: 3225.29, 0.00314707/step, 3.47856 hours remaining, 232.878906 MB of memory in use. ENERGY: 1020800 4017.6916 20459.1021 14456.7173 245.1125 -202900.3149 2492.3018 0.0000 0.0000 51819.1269 -109410.2626 297.8052 -161229.3895 -109037.8202 299.0289 -178.6485 -142.5548 763688.4182 5.3206 5.3703 PRESSURE: 1021000 -93.2934 43.6825 -51.069 43.6823 83.1381 -103.937 -51.0699 -103.937 60.0318 GPRESSURE: 1021000 -88.3386 31.3553 -7.26508 88.5751 181.637 -58.5968 -43.2562 24.6966 61.4316 PRESSAVG: 1021000 -75.8651 -73.0792 -49.1034 -73.0793 93.1628 -1.86315 -49.1033 -1.86307 -8.21333 GPRESSAVG: 1021000 -77.4428 -73.0647 -49.4533 -73.7526 93.3206 0.634857 -48.7008 0.747295 -7.00177 TIMING: 1021000 CPU: 3225.92, 0.00315543/step Wall: 3225.92, 0.00315543/step, 3.48763 hours remaining, 232.878906 MB of memory in use. ENERGY: 1021000 3991.8750 20382.2635 14475.4333 249.2869 -203131.9010 2575.7501 0.0000 0.0000 51967.8235 -109489.4687 298.6598 -161457.2922 -109123.0810 298.6457 16.6255 51.5766 762162.5994 3.0281 2.9586 PRESSURE: 1021200 -368.094 -22.8982 -9.80163 -22.898 -86.7398 84.4525 -9.80127 84.4523 -57.0188 GPRESSURE: 1021200 -316.606 23.0475 14.0005 -80.153 -19.5347 116.04 -43.8087 83.1259 -107.899 PRESSAVG: 1021200 -6.16405 -30.1064 -6.35025 -30.1065 26.6095 -6.18391 -6.35027 -6.18393 11.4307 GPRESSAVG: 1021200 -4.8042 -30.9173 -6.72412 -30.4235 25.8332 -7.98116 -5.89371 -5.68475 10.4397 TIMING: 1021200 CPU: 3226.55, 0.00313932/step Wall: 3226.55, 0.00313932/step, 3.46964 hours remaining, 232.878906 MB of memory in use. ENERGY: 1021200 3939.6399 20382.6221 14474.3610 253.2261 -203082.3597 2497.9496 0.0000 0.0000 52105.4922 -109429.0690 299.4510 -161534.5611 -109065.1519 298.6023 -170.6175 -148.0134 762749.6745 10.6254 10.4896 PRESSURE: 1021400 26.245 141.22 118.242 141.22 156.168 289.003 118.242 289.001 -143.126 GPRESSURE: 1021400 95.7844 189.681 81.9239 116.333 140.851 246.502 6.38802 292.391 -107.506 PRESSAVG: 1021400 63.507 -23.7403 -32.6294 -23.7403 -11.9711 38.751 -32.6293 38.7509 -5.61878 GPRESSAVG: 1021400 63.8167 -24.8874 -32.6031 -21.6332 -12.195 40.6117 -33.0394 34.8536 -5.48979 TIMING: 1021400 CPU: 3227.18, 0.00314977/step Wall: 3227.18, 0.00314977/step, 3.48102 hours remaining, 232.878906 MB of memory in use. ENERGY: 1021400 3919.0922 20430.6221 14512.4575 242.9192 -203376.5524 2705.7670 0.0000 0.0000 52203.0252 -109362.6692 300.0115 -161565.6944 -108998.0072 299.3034 13.0957 43.0431 761510.7305 15.3057 15.3773 PRESSURE: 1021600 -299.179 -294.705 -114.45 -294.705 -57.3771 78.5643 -114.45 78.5637 -106.958 GPRESSURE: 1021600 -287.049 -314.676 -133.017 -317.471 -11.8183 57.373 -61.8241 164.536 -89.8749 PRESSAVG: 1021600 33.4735 -71.0735 -22.5021 -71.0736 7.89327 -14.9041 -22.5021 -14.9041 24.105 GPRESSAVG: 1021600 32.4969 -70.3266 -23.229 -71.6099 8.42129 -16.8948 -21.0769 -12.0661 24.974 TIMING: 1021600 CPU: 3227.8, 0.00312036/step Wall: 3227.8, 0.00312036/step, 3.44834 hours remaining, 232.878906 MB of memory in use. ENERGY: 1021600 3968.9315 20424.3750 14480.4505 232.8854 -203062.0569 2463.2600 0.0000 0.0000 51994.5814 -109497.5732 298.8136 -161492.1546 -109132.5825 298.9834 -154.5049 -129.5807 761122.5985 21.8239 21.9641 PRESSURE: 1021800 -208.299 179.676 220.268 179.677 -409.364 -35.1223 220.268 -35.1232 -230.834 GPRESSURE: 1021800 -112.892 104.065 199.71 142.232 -361.131 -12.4842 19.3843 -43.251 -303.016 PRESSAVG: 1021800 61.3453 -42.1533 -52.1704 -42.1533 -7.63471 -22.8057 -52.1704 -22.8058 -1.76733 GPRESSAVG: 1021800 61.6072 -42.4775 -50.0043 -43.995 -7.47055 -21.4047 -54.2808 -22.8018 -1.94315 TIMING: 1021800 CPU: 3228.43, 0.00313225/step Wall: 3228.43, 0.00313225/step, 3.46131 hours remaining, 232.878906 MB of memory in use. ENERGY: 1021800 4047.2173 20498.4659 14413.5101 234.9186 -203209.8444 2532.5292 0.0000 0.0000 51929.7228 -109553.4806 298.4408 -161483.2034 -109198.8416 298.9307 -282.8322 -259.0131 761441.7639 17.3144 17.3978 PRESSURE: 1022000 -50.3376 -46.7564 -243.326 -46.7562 197.164 52.0169 -243.326 52.0172 270.106 GPRESSURE: 1022000 -65.6857 99.2146 -305.379 -9.53402 189.038 61.6505 -208.433 63.4469 380.848 PRESSAVG: 1022000 -31.2155 -52.2331 -37.4432 -52.2331 -4.87513 -24.5093 -37.4432 -24.5094 17.8679 GPRESSAVG: 1022000 -30.8751 -51.5035 -38.4962 -50.9643 -5.22705 -25.1551 -36.2128 -24.8324 18.4659 TIMING: 1022000 CPU: 3229.06, 0.00315908/step Wall: 3229.06, 0.00315908/step, 3.49078 hours remaining, 232.878906 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: 1022000 4006.7478 20539.6551 14433.6431 258.3017 -203043.3498 2539.1896 0.0000 0.0000 52008.2900 -109257.5226 298.8924 -161265.8126 -108891.7118 298.9740 138.9777 168.0670 762721.7365 -6.0742 -5.8787 PRESSURE: 1022200 -359.632 74.6199 -17.3906 74.6197 -255.673 -54.3819 -17.3901 -54.382 -412.045 GPRESSURE: 1022200 -299.717 60.1198 77.2138 75.4508 -289.588 -125.163 -57.7099 86.5134 -360.839 PRESSAVG: 1022200 -23.2191 -47.6794 3.15493 -47.6794 -14.995 -17.6376 3.15496 -17.6376 -12.5735 GPRESSAVG: 1022200 -22.7384 -47.4514 3.25824 -47.3235 -14.3535 -17.8819 4.15416 -17.0736 -13.3611 TIMING: 1022200 CPU: 3229.69, 0.00314994/step Wall: 3229.69, 0.00314994/step, 3.4805 hours remaining, 232.878906 MB of memory in use. ENERGY: 1022200 3982.0963 20490.1150 14411.4831 240.9227 -203065.8425 2549.8131 0.0000 0.0000 52044.2478 -109347.1646 299.0990 -161391.4124 -108983.0383 298.8787 -342.4502 -316.7146 763633.4550 -16.9292 -16.8177 PRESSURE: 1022400 -51.5943 -108.015 -4.90295 -108.015 282.928 198.237 -4.90326 198.238 -112.159 GPRESSURE: 1022400 -8.1604 12.0768 79.0361 -37.7461 229.776 174.286 5.44686 53.7183 -11.0932 PRESSAVG: 1022400 -71.3441 -34.5051 -0.744917 -34.5052 41.6498 32.2488 -0.744897 32.2489 -15.1556 GPRESSAVG: 1022400 -70.8497 -34.5319 -2.45098 -35.207 40.9912 33.0773 -2.45701 32.043 -14.6916 TIMING: 1022400 CPU: 3230.32, 0.00315894/step Wall: 3230.32, 0.00315894/step, 3.49028 hours remaining, 232.878906 MB of memory in use. ENERGY: 1022400 4089.4959 20367.5887 14500.9799 255.4789 -203768.8551 2816.2240 0.0000 0.0000 52194.2618 -109544.8260 299.9611 -161739.0877 -109179.7338 298.8564 39.7248 70.1741 760519.9615 -14.9500 -14.8500 PRESSURE: 1022600 164.928 21.2627 -24.7588 21.2639 53.9042 398.628 -24.7584 398.629 1.04843 GPRESSURE: 1022600 237.768 -122.06 -3.2907 135.913 168.455 347.04 61.089 348.917 -79.6791 PRESSAVG: 1022600 -49.2236 -45.2083 -15.2627 -45.2083 53.1292 47.0975 -15.2627 47.0976 12.9812 GPRESSAVG: 1022600 -50.0062 -45.5917 -14.6702 -45.1659 54.227 46.235 -14.6192 46.3905 12.3366 TIMING: 1022600 CPU: 3230.95, 0.00315068/step Wall: 3230.95, 0.00315068/step, 3.48098 hours remaining, 232.878906 MB of memory in use. ENERGY: 1022600 4043.2088 20391.0173 14436.6769 254.8016 -203241.9405 2550.3261 0.0000 0.0000 51864.5101 -109701.3997 298.0661 -161565.9098 -109352.3387 298.9778 73.2937 108.8479 760355.6690 5.6289 5.5191 PRESSURE: 1022800 232.971 -14.6098 -78.8797 -14.6091 -470.38 277.253 -78.8805 277.254 -180.076 GPRESSURE: 1022800 143.244 -45.0258 -147.732 29.1776 -343.088 236.015 -29.8986 327.881 -116.445 PRESSAVG: 1022800 14.4162 -24.6627 37.6354 -24.6627 -31.8901 85.4048 37.6354 85.4048 5.64684 GPRESSAVG: 1022800 13.3111 -26.6009 37.2839 -24.8251 -30.8709 85.6446 35.3229 86.4446 5.86967 TIMING: 1022800 CPU: 3231.58, 0.00315067/step Wall: 3231.58, 0.00315067/step, 3.48079 hours remaining, 232.878906 MB of memory in use. ENERGY: 1022800 3933.7275 20550.7008 14419.8541 264.2159 -203435.2422 2473.4282 0.0000 0.0000 51984.1954 -109809.1204 298.7539 -161793.3158 -109456.4320 298.6112 -139.1616 -105.4294 763191.5240 -3.9424 -3.8967 PRESSURE: 1023000 31.8222 3.33186 244.423 3.33227 185.51 135.119 244.423 135.119 -84.3827 GPRESSURE: 1023000 92.3154 -28.9701 202.977 -26.6334 86.2662 10.315 273.918 83.7299 47.5395 PRESSAVG: 1023000 -73.0784 -2.5208 -63.3007 -2.52075 88.4498 58.0661 -63.3007 58.0661 12.6023 GPRESSAVG: 1023000 -71.9089 -1.04213 -62.1612 -0.490623 87.0036 57.2197 -59.637 58.9474 13.4138 TIMING: 1023000 CPU: 3232.21, 0.00314269/step Wall: 3232.21, 0.00314269/step, 3.4718 hours remaining, 233.140625 MB of memory in use. ENERGY: 1023000 3996.6004 20544.2047 14443.6209 235.4598 -203421.2706 2686.8572 0.0000 0.0000 51666.8274 -109847.7003 296.9300 -161514.5276 -109493.6696 298.6201 44.3164 75.3737 761029.4008 9.3246 9.5029 PRESSURE: 1023200 -149.743 133.518 -19.7332 133.518 -330.514 195.159 -19.7334 195.159 -176.106 GPRESSURE: 1023200 -106.837 -14.0727 93.5943 116.577 -318.374 179.619 13.8946 111.771 -156.785 PRESSAVG: 1023200 -11.5594 57.4446 4.46506 57.4446 -2.79481 2.25213 4.46502 2.25215 36.3747 GPRESSAVG: 1023200 -10.9511 54.6212 4.02359 56.2119 -2.26162 3.09145 3.07971 -1.58702 35.6871 TIMING: 1023200 CPU: 3232.84, 0.00315736/step Wall: 3232.84, 0.00315736/step, 3.48783 hours remaining, 233.140625 MB of memory in use. ENERGY: 1023200 3990.1990 20440.4010 14506.7295 255.7815 -203179.3182 2516.4994 0.0000 0.0000 51953.4260 -109516.2819 298.5771 -161469.7079 -109157.1069 298.9557 -218.7880 -193.9987 761563.3891 7.3402 7.4915 PRESSURE: 1023400 -12.6106 -258.85 214.086 -258.85 -289.271 170.042 214.086 170.042 189.677 GPRESSURE: 1023400 75.8049 -230.366 114.154 -270.981 -245.778 154.347 133.148 165.801 141.345 PRESSAVG: 1023400 -39.3609 -20.0533 26.2973 -20.0533 20.4826 16.2851 26.2973 16.2851 11.8372 GPRESSAVG: 1023400 -39.7513 -16.1096 26.2131 -20.4737 20.8213 16.2903 25.4826 18.8681 12.2014 TIMING: 1023400 CPU: 3233.47, 0.00316401/step Wall: 3233.47, 0.00316401/step, 3.495 hours remaining, 233.140625 MB of memory in use. ENERGY: 1023400 3886.1109 20482.1852 14428.9267 234.5029 -203181.6174 2513.9109 0.0000 0.0000 52068.4974 -109567.4834 299.2384 -161635.9807 -109199.6139 298.9656 -37.4015 -9.5430 761711.8254 -2.3470 -2.2429 PRESSURE: 1023600 -148.695 -132.542 -135.682 -132.543 25.4262 1.07318 -135.682 1.0737 123.932 GPRESSURE: 1023600 -147.773 -90.9593 -134.635 -77.2101 30.8414 41.3249 -188.552 -66.1101 202.452 PRESSAVG: 1023600 -0.984843 -35.6254 19.5435 -35.6255 -15.0819 24.0379 19.5435 24.0378 -9.35513 GPRESSAVG: 1023600 -0.481046 -36.5274 18.5878 -35.1774 -14.8121 24.8153 18.7309 24.5138 -9.76687 TIMING: 1023600 CPU: 3234.11, 0.00316068/step Wall: 3234.11, 0.00316068/step, 3.49115 hours remaining, 233.140625 MB of memory in use. ENERGY: 1023600 3953.3140 20419.8685 14471.1244 265.6967 -203406.3365 2580.4989 0.0000 0.0000 52239.3691 -109476.4649 300.2204 -161715.8340 -109110.6305 299.0815 0.2209 28.5066 761825.5416 -8.4739 -8.3534 PRESSURE: 1023800 242.102 43.768 -194.398 43.7677 -206.672 -64.5082 -194.399 -64.5078 47.9307 GPRESSURE: 1023800 218.177 13.4921 -125.311 41.0234 -113.236 -86.4412 -154.853 -95.1016 41.4738 PRESSAVG: 1023800 38.0691 12.1072 -36.0007 12.1072 -24.9086 29.1017 -36.0007 29.1017 7.15547 GPRESSAVG: 1023800 38.8688 11.0678 -36.0433 12.3194 -26.3262 28.4464 -34.2035 28.5315 7.82818 TIMING: 1023800 CPU: 3234.73, 0.00314606/step Wall: 3234.73, 0.00314606/step, 3.47482 hours remaining, 233.140625 MB of memory in use. ENERGY: 1023800 4033.7445 20363.2233 14538.4963 254.7496 -203216.9047 2390.2323 0.0000 0.0000 51811.8410 -109824.6178 297.7634 -161636.4587 -109460.6159 298.8641 27.7867 48.8050 761081.1604 6.7720 6.7903 PRESSURE: 1024000 126.542 132.02 -32.9528 132.019 334.381 -24.7029 -32.9529 -24.7024 -334.295 GPRESSURE: 1024000 162.489 93.4922 -131.168 112.87 341.385 -60.8044 121.448 39.9001 -297.848 PRESSAVG: 1024000 51.9782 24.8325 -10.9731 24.8325 -36.0646 45.431 -10.9731 45.4309 -4.29509 GPRESSAVG: 1024000 52.3301 24.6266 -9.20194 23.9246 -35.0554 46.1607 -10.145 45.5597 -5.55803 TIMING: 1024000 CPU: 3235.37, 0.00316644/step Wall: 3235.37, 0.00316644/step, 3.49716 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: 1024000 4004.7571 20538.7371 14426.3144 262.0880 -203516.4996 2596.2559 0.0000 0.0000 51961.0837 -109727.2633 298.6211 -161688.3470 -109363.7018 298.0157 42.2092 68.6755 760860.9129 3.8728 3.9056 PRESSURE: 1024200 173.158 -249.382 -51.8518 -249.382 58.3249 -107.31 -51.8506 -107.311 14.0909 GPRESSURE: 1024200 238.215 -323.483 7.60928 -261.019 78.3779 -114.839 -2.78906 -199.504 16.6315 PRESSAVG: 1024200 -18.9686 -27.3433 -12.2374 -27.3433 28.0809 69.7834 -12.2374 69.7833 -1.74952 GPRESSAVG: 1024200 -20.2879 -29.1195 -12.4996 -26.9267 28.4852 68.559 -14.7183 69.1954 -0.774995 TIMING: 1024200 CPU: 3236, 0.00314313/step Wall: 3236, 0.00314313/step, 3.47124 hours remaining, 233.140625 MB of memory in use. ENERGY: 1024200 3871.4044 20379.6741 14455.8621 247.1836 -203879.1803 2885.3424 0.0000 0.0000 52183.1766 -109856.5372 299.8974 -162039.7138 -109482.9068 298.3126 81.8580 111.0747 760885.1673 2.4542 2.4741 LDB: ============= START OF LOAD BALANCING ============== 3248.53 LDB: ============== END OF LOAD BALANCING =============== 3248.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3248.53 LDB: ============= START OF LOAD BALANCING ============== 3248.84 LDB: Largest compute 7042 load 0.031353 is 16.0% of average load 0.195348 LDB: Average compute 0.004398 is 2.3% of average load 0.195348 LDB: TIME 3248.85 LOAD: AVG 0.195348 MAX 0.214089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 3248.85 LOAD: AVG 0.195348 MAX 0.214089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.906 MB LDB: TIME 3248.85 LOAD: AVG 0.195348 MAX 0.214089 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.906 MB LDB: ============== END OF LOAD BALANCING =============== 3248.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3248.85 PRESSURE: 1024400 445.003 -76.0958 75.6658 -76.0958 218.087 18.0846 75.6653 18.0849 215.485 GPRESSURE: 1024400 461.698 -123.954 55.1054 -194.157 282.049 142.508 185.389 -98.3929 234.638 PRESSAVG: 1024400 -14.8043 5.37906 -2.61592 5.37904 3.78456 22.7911 -2.61591 22.7911 -6.93296 GPRESSAVG: 1024400 -13.7962 5.5319 -2.98894 4.81905 1.94352 24.1646 -0.196297 21.9991 -6.42296 TIMING: 1024400 CPU: 3236.64, 0.00320643/step Wall: 3236.64, 0.00320643/step, 3.54097 hours remaining, 233.636719 MB of memory in use. ENERGY: 1024400 3945.6485 20428.6190 14588.5188 242.8836 -203510.5124 2710.4744 0.0000 0.0000 51849.5120 -109744.8560 297.9799 -161594.3680 -109391.4125 298.2164 292.8583 326.1284 760476.9900 -5.9842 -6.0919 PRESSURE: 1024600 -107.449 154.022 34.3983 154.022 -189.298 -167.258 34.3981 -167.259 306.258 GPRESSURE: 1024600 -32.9605 62.0987 11.7757 155.632 -158.247 -129.614 -114.591 -153.825 284.685 PRESSAVG: 1024600 -1.84868 9.70525 -14.7501 9.70523 47.6104 40.8911 -14.7501 40.8911 24.2918 GPRESSAVG: 1024600 -3.47507 9.95242 -14.361 9.3726 49.4229 40.4351 -16.2616 42.0697 23.575 TIMING: 1024600 CPU: 3237.27, 0.00315381/step Wall: 3237.27, 0.00315381/step, 3.48268 hours remaining, 233.839844 MB of memory in use. ENERGY: 1024600 4020.2299 20468.9279 14457.1286 242.7870 -203640.8602 2798.7681 0.0000 0.0000 52002.2428 -109650.7760 298.8576 -161653.0188 -109291.5868 299.0338 3.1705 31.1592 761764.8313 23.3512 23.1743 PRESSURE: 1024800 45.9585 -18.6164 -58.578 -18.6168 196.16 -21.4912 -58.5769 -21.4904 -135.798 GPRESSURE: 1024800 107.778 55.8886 -139.231 -66.5553 218.185 -47.5635 -1.39097 -52.5209 -112.247 PRESSAVG: 1024800 -41.4282 -17.6991 -49.1422 -17.6992 26.6358 -7.92484 -49.1423 -7.92488 12.8463 GPRESSAVG: 1024800 -39.8313 -16.5562 -48.8525 -17.8004 24.9738 -8.76656 -51.0591 -7.58178 12.8215 TIMING: 1024800 CPU: 3237.9, 0.00315899/step Wall: 3237.9, 0.00315899/step, 3.48823 hours remaining, 233.839844 MB of memory in use. ENERGY: 1024800 3980.3739 20511.7928 14499.4859 260.7452 -203749.5934 2841.2392 0.0000 0.0000 51954.7475 -109701.2088 298.5846 -161655.9563 -109351.1076 298.9488 35.4400 71.2386 762628.7196 -0.6487 -0.6787 PRESSURE: 1025000 260.545 -66.7676 98.4358 -66.7666 235.274 79.3598 98.4364 79.3607 132.478 GPRESSURE: 1025000 247.885 -107.373 119.785 -189.43 324.448 75.8842 164.027 13.3203 119.614 PRESSAVG: 1025000 26.4216 -74.5333 -4.11072 -74.5334 48.5534 8.85633 -4.11073 8.85636 5.92513 GPRESSAVG: 1025000 25.5907 -74.2927 -4.66056 -72.7208 49.4157 9.61259 -3.01655 7.80605 5.91404 TIMING: 1025000 CPU: 3238.53, 0.00315109/step Wall: 3238.53, 0.00315109/step, 3.47933 hours remaining, 233.839844 MB of memory in use. ENERGY: 1025000 3916.1700 20422.5888 14446.0451 260.6754 -203236.2273 2507.4147 0.0000 0.0000 52195.3350 -109487.9983 299.9673 -161683.3332 -109121.9029 299.0036 209.4325 230.6490 759660.2344 26.9667 26.9735 PRESSURE: 1025200 402.128 -88.7061 -207.59 -88.7073 235.567 -83.6132 -207.591 -83.613 213.967 GPRESSURE: 1025200 404.736 -169.78 -209.811 -130.656 252.281 -77.2289 -288.743 -95.4305 272.859 PRESSAVG: 1025200 -44.59 -73.8977 8.73988 -73.8977 26.9404 -17.1143 8.73987 -17.1142 -1.70587 GPRESSAVG: 1025200 -43.9449 -73.8938 8.51016 -75.2719 26.2347 -17.3209 8.34694 -16.0083 -1.77394 TIMING: 1025200 CPU: 3239.16, 0.00313582/step Wall: 3239.16, 0.00313582/step, 3.46229 hours remaining, 233.839844 MB of memory in use. ENERGY: 1025200 4007.3338 20383.1930 14480.7812 249.0232 -203566.4727 2967.6350 0.0000 0.0000 51877.6148 -109600.8918 298.1414 -161478.5065 -109242.0784 298.6089 283.8872 309.9587 760268.5024 -6.4518 -6.4947 PRESSURE: 1025400 -216.169 -85.0598 3.43229 -85.0593 98.4853 -112.745 3.43189 -112.745 229.412 GPRESSURE: 1025400 -170.364 -97.7405 18.6933 84.0292 38.234 -153.981 -27.0709 -234.18 311.171 PRESSAVG: 1025400 2.76358 -65.2626 46.0523 -65.2626 2.79902 2.58651 46.0523 2.58642 17.8466 GPRESSAVG: 1025400 2.54383 -67.113 45.3219 -66.2769 2.90966 0.888205 43.4241 1.69993 17.7768 TIMING: 1025400 CPU: 3239.78, 0.00313317/step Wall: 3239.78, 0.00313317/step, 3.45919 hours remaining, 233.839844 MB of memory in use. ENERGY: 1025400 3947.9190 20657.9630 14372.5393 224.3259 -203200.6126 2631.4746 0.0000 0.0000 51681.0581 -109685.3327 297.0118 -161366.3907 -109334.0136 297.8545 37.2429 59.6805 763634.4976 7.8031 7.7434 PRESSURE: 1025600 87.3762 122.026 173.353 122.026 165.81 -26.0516 173.353 -26.0523 -228.758 GPRESSURE: 1025600 166.268 247.119 342.656 91.664 45.1718 -169.946 177.425 77.7783 -98.5686 PRESSAVG: 1025600 -16.9761 -53.2893 18.6793 -53.2894 42.7831 -35.298 18.6794 -35.298 -7.71781 GPRESSAVG: 1025600 -17.8594 -50.3484 20.9392 -54.158 42.4386 -32.8584 19.0734 -33.7229 -6.93047 TIMING: 1025600 CPU: 3240.41, 0.003123/step Wall: 3240.41, 0.003123/step, 3.44779 hours remaining, 233.839844 MB of memory in use. ENERGY: 1025600 4027.5195 20498.1467 14486.5327 233.6258 -203666.7228 2840.0272 0.0000 0.0000 51994.3695 -109586.5013 298.8124 -161580.8708 -109224.8654 298.4482 8.1429 37.6236 761152.3770 6.0297 5.8829 PRESSURE: 1025800 -59.1315 -250.28 -55.8719 -250.28 -165.024 -110.351 -55.8717 -110.351 -38.9856 GPRESSURE: 1025800 -5.78382 -269.972 -71.6469 -259.975 -207.262 -118.545 36.6112 -24.2803 17.3061 PRESSAVG: 1025800 18.9045 -61.8793 14.978 -61.8793 -23.3594 -36.7566 14.9781 -36.7566 -12.0145 GPRESSAVG: 1025800 19.54 -61.1768 14.0445 -61.2916 -22.9593 -38.1551 16.7813 -36.6614 -13.4417 TIMING: 1025800 CPU: 3241.04, 0.00315617/step Wall: 3241.04, 0.00315617/step, 3.48423 hours remaining, 233.839844 MB of memory in use. ENERGY: 1025800 3990.4984 20456.6995 14473.6608 252.0784 -203484.6887 2833.0189 0.0000 0.0000 51940.6259 -109538.1068 298.5035 -161478.7327 -109176.5989 299.0380 -87.7136 -65.2465 762255.0863 -5.4898 -5.6204 PRESSURE: 1026000 5.23123 158.289 180.033 158.289 84.9125 -59.0672 180.033 -59.0677 -70.1654 GPRESSURE: 1026000 73.8106 286.847 101.253 109.346 44.0829 -42.9794 266.593 -111.87 -16.8205 PRESSAVG: 1026000 -41.622 -12.2188 55.1217 -12.2188 20.2481 45.3974 55.1217 45.3973 3.56214 GPRESSAVG: 1026000 -40.0609 -14.78 53.3627 -11.3637 17.9577 46.2433 55.7397 43.9994 4.5941 TIMING: 1026000 CPU: 3241.67, 0.00315622/step Wall: 3241.67, 0.00315622/step, 3.48412 hours remaining, 233.839844 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: 1026000 3920.1054 20503.4762 14548.5401 228.7227 -203287.3141 2590.8379 0.0000 0.0000 51837.0364 -109658.5954 297.9082 -161495.6318 -109300.6631 298.7080 6.6595 33.6910 761960.3755 -5.9373 -5.8364 PRESSURE: 1026200 -53.5838 -220.293 -130.313 -220.293 354.224 -113.513 -130.314 -113.512 588.448 GPRESSURE: 1026200 41.4025 -206.227 -6.58111 -212.937 325.257 -184.219 -42.4095 -62.0134 592.297 PRESSAVG: 1026200 0.389293 -23.672 15.5135 -23.6719 26.7201 -8.14508 15.5135 -8.14508 33.0006 GPRESSAVG: 1026200 -0.855729 -23.9805 15.3159 -21.9237 28.289 -8.55793 14.4865 -7.80115 31.7228 TIMING: 1026200 CPU: 3242.3, 0.00315741/step Wall: 3242.3, 0.00315741/step, 3.48526 hours remaining, 233.839844 MB of memory in use. ENERGY: 1026200 3903.8098 20510.1742 14427.6020 245.0943 -203765.9695 2906.0595 0.0000 0.0000 52142.9570 -109630.2727 299.6663 -161773.2297 -109264.9783 298.5076 296.3627 319.6519 761925.5419 20.0367 19.7187 PRESSURE: 1026400 -337.831 -130.52 -1.4674 -130.521 -45.6915 28.6882 -1.46745 28.6869 -83.9719 GPRESSURE: 1026400 -359.561 -67.0025 43.9048 -75.1002 28.9715 20.3334 123.129 40.3491 -68.3357 PRESSAVG: 1026400 -42.254 -24.267 31.2436 -24.267 12.9108 12.6151 31.2436 12.615 9.56544 GPRESSAVG: 1026400 -43.175 -25.7196 31.1718 -24.9338 14.3579 14.9339 31.9408 9.99113 9.11888 TIMING: 1026400 CPU: 3242.93, 0.00315406/step Wall: 3242.93, 0.00315406/step, 3.48138 hours remaining, 233.839844 MB of memory in use. ENERGY: 1026400 3994.2761 20442.2910 14490.3931 258.6928 -203359.6448 2528.4095 0.0000 0.0000 52042.4461 -109603.1363 299.0887 -161645.5824 -109239.6464 298.6428 -155.8316 -132.9751 761681.1512 -6.5926 -6.5661 PRESSURE: 1026600 37.7676 319.68 29.3871 319.68 -80.9521 -108.787 29.3869 -108.787 199.756 GPRESSURE: 1026600 69.1088 196.964 8.66905 311.099 -1.32515 -138.73 65.3521 -125.613 168.892 PRESSAVG: 1026600 -43.3793 14.0873 15.9911 14.0874 24.6277 4.96247 15.9911 4.96249 15.2915 GPRESSAVG: 1026600 -43.4875 17.1534 16.9403 14.3406 23.481 1.67711 16.9247 8.26889 16.8409 TIMING: 1026600 CPU: 3243.57, 0.00317386/step Wall: 3243.57, 0.00317386/step, 3.50306 hours remaining, 233.839844 MB of memory in use. ENERGY: 1026600 3963.8768 20490.5552 14493.2889 234.0430 -203337.4014 2519.3261 0.0000 0.0000 52066.6141 -109569.6975 299.2275 -161636.3116 -109202.8034 298.6595 52.1905 78.8919 762439.5791 -1.1534 -1.0552 PRESSURE: 1026800 -1.61258 23.8778 -195.635 23.8782 162.103 23.5287 -195.635 23.5286 -161.585 GPRESSURE: 1026800 90.3959 -44.0338 -203.06 -27.5671 160.271 -4.65989 -199.774 47.1686 -164.77 PRESSAVG: 1026800 -0.517702 -38.8798 39.2793 -38.8798 -5.38135 -43.7049 39.2793 -43.7048 4.96465 GPRESSAVG: 1026800 1.68214 -39.5339 39.2869 -38.2231 -5.75231 -41.0517 38.0465 -45.3529 3.99216 TIMING: 1026800 CPU: 3244.2, 0.0031648/step Wall: 3244.2, 0.0031648/step, 3.49288 hours remaining, 233.839844 MB of memory in use. ENERGY: 1026800 3963.1852 20466.7484 14535.1797 236.2034 -203337.5375 2676.0755 0.0000 0.0000 51915.7766 -109544.3686 298.3607 -161460.1452 -109176.8325 298.6409 -0.3651 28.6322 760639.3074 -0.3115 -0.0260 PRESSURE: 1027000 36.7987 -46.7518 -19.2488 -46.7526 -17.8143 -318.038 -19.2496 -318.04 -293.54 GPRESSURE: 1027000 17.1551 -13.6795 26.3894 -83.2326 38.7593 -383.075 -18.8712 -272.848 -245.519 PRESSAVG: 1027000 25.187 -31.0532 -5.90188 -31.0532 16.9132 -27.71 -5.90185 -27.7101 -8.8921 GPRESSAVG: 1027000 23.1677 -31.4262 -4.54344 -31.5964 17.9424 -27.0629 -4.08703 -25.7544 -8.82747 TIMING: 1027000 CPU: 3244.83, 0.00313688/step Wall: 3244.83, 0.00313688/step, 3.4619 hours remaining, 233.839844 MB of memory in use. ENERGY: 1027000 3942.9688 20595.5464 14510.8990 252.4624 -203180.8166 2635.8695 0.0000 0.0000 51909.4651 -109333.6052 298.3244 -161243.0703 -108976.9065 298.9507 -91.5187 -63.2016 761955.2349 11.0694 10.7609 PRESSURE: 1027200 -53.0657 64.6945 -15.6882 64.6939 -94.0255 -222.398 -15.688 -222.396 -37.868 GPRESSURE: 1027200 -10.1599 33.5058 -38.3607 65.5566 -3.43156 -286.518 -47.2865 -205.899 -92.2296 PRESSAVG: 1027200 16.0764 -10.4507 -10.7979 -10.4507 -25.2375 -3.5948 -10.7978 -3.59479 -25.6502 GPRESSAVG: 1027200 17.204 -8.64708 -10.3608 -12.9234 -26.7092 -4.91708 -12.5571 -2.75324 -24.6098 TIMING: 1027200 CPU: 3245.46, 0.00317023/step Wall: 3245.46, 0.00317023/step, 3.49852 hours remaining, 233.839844 MB of memory in use. ENERGY: 1027200 4063.7007 20472.1853 14437.3965 230.9063 -203425.4985 2832.8822 0.0000 0.0000 52198.5571 -109189.8705 299.9858 -161388.4276 -108827.4095 299.3486 -61.6531 -35.2737 761535.8750 -11.6037 -11.3717 PRESSURE: 1027400 -264.515 -172.569 -29.2229 -172.568 -286.414 124.788 -29.2234 124.787 -249.459 GPRESSURE: 1027400 -238.976 -156.193 -2.0309 -187.551 -317.294 18.263 -125.12 -58.4728 -175.227 PRESSAVG: 1027400 56.8277 -56.5753 9.19658 -56.5753 -22.3374 7.09241 9.19661 7.09242 23.7009 GPRESSAVG: 1027400 56.9877 -58.4419 7.56806 -53.2178 -22.3393 6.04765 10.0219 5.49737 23.6469 TIMING: 1027400 CPU: 3246.09, 0.00314142/step Wall: 3246.09, 0.00314142/step, 3.46655 hours remaining, 233.839844 MB of memory in use. ENERGY: 1027400 3985.0483 20565.4352 14434.1840 257.3173 -203034.0457 2293.6903 0.0000 0.0000 52173.6459 -109324.7247 299.8427 -161498.3707 -108955.8947 299.2179 -266.7960 -243.8324 762581.4668 19.3971 19.4318 PRESSURE: 1027600 388.406 -68.0366 -66.8994 -68.0356 -144.734 22.731 -66.8997 22.7295 5.37462 GPRESSURE: 1027600 328.971 -10.7672 -25.8406 -80.4863 -62.186 23.1605 -64.5848 5.41547 69.8689 PRESSAVG: 1027600 19.849 -78.2513 24.4073 -78.2513 -4.05743 -21.8299 24.4073 -21.8299 19.964 GPRESSAVG: 1027600 18.9755 -79.1474 25.7292 -77.8028 -2.78993 -20.8737 24.7483 -21.8693 19.4555 TIMING: 1027600 CPU: 3246.72, 0.00313089/step Wall: 3246.72, 0.00313089/step, 3.45476 hours remaining, 233.839844 MB of memory in use. ENERGY: 1027600 3976.4013 20608.3891 14484.2397 266.4613 -203733.8553 2869.1477 0.0000 0.0000 52143.1942 -109386.0220 299.6677 -161529.2161 -109028.6636 299.5163 83.0154 112.2181 759954.9739 11.9185 11.8804 PRESSURE: 1027800 84.7081 44.6848 -321.487 44.6852 22.6239 194.229 -321.488 194.229 382.097 GPRESSURE: 1027800 130.393 31.0162 -194.713 62.0287 71.1357 247.483 -271.356 104.059 370.693 PRESSAVG: 1027800 8.52805 3.18324 1.46751 3.18332 39.2395 16.7497 1.46752 16.7496 -10.5718 GPRESSAVG: 1027800 9.31141 3.84487 1.08435 2.87028 38.5739 17.3378 -0.101678 15.2229 -10.9703 TIMING: 1027800 CPU: 3247.35, 0.00315183/step Wall: 3247.35, 0.00315183/step, 3.4777 hours remaining, 233.839844 MB of memory in use. ENERGY: 1027800 4046.4130 20627.0860 14404.4294 273.3287 -203592.5579 2857.2143 0.0000 0.0000 51984.0562 -109400.0303 298.7531 -161384.0865 -109034.4553 299.2768 163.1430 190.7405 760199.1456 12.3986 12.3050 PRESSURE: 1028000 -166.166 -260.482 -190.154 -260.482 -188.586 228.926 -190.154 228.926 -53.6661 GPRESSURE: 1028000 -147.648 -186.86 -292.04 -233.397 -150.152 174.378 -210.005 241.656 -18.966 PRESSAVG: 1028000 8.38639 -18.1194 -9.31682 -18.1195 28.8989 -15.71 -9.31682 -15.7099 -0.292012 GPRESSAVG: 1028000 6.97321 -16.3628 -11.6482 -16.8087 30.1665 -16.6624 -5.82333 -13.4072 -0.0834994 TIMING: 1028000 CPU: 3247.98, 0.00315457/step Wall: 3247.98, 0.00315457/step, 3.48054 hours remaining, 233.839844 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: 1028000 3970.6028 20790.3594 14487.4291 237.8481 -203352.3993 2492.7292 0.0000 0.0000 51994.6354 -109378.7954 298.8139 -161373.4307 -109026.3376 299.2743 -136.1394 -105.5888 762088.9746 12.3311 12.3521 PRESSURE: 1028200 106.003 154.768 64.3788 154.769 -119.011 278.634 64.3786 278.635 -398.99 GPRESSURE: 1028200 82.3926 67.9851 38.9597 164.656 -84.4468 292.829 77.8606 243.272 -312.101 PRESSAVG: 1028200 62.158 13.1949 12.9828 13.1949 -25.8936 18.1111 12.9829 18.111 -7.17816 GPRESSAVG: 1028200 61.475 9.49563 13.9929 12.4442 -25.2505 19.8352 10.3292 15.6073 -7.31601 TIMING: 1028200 CPU: 3248.61, 0.00314651/step Wall: 3248.61, 0.00314651/step, 3.47147 hours remaining, 233.839844 MB of memory in use. ENERGY: 1028200 3974.8765 20545.1340 14425.0536 218.4062 -203271.9561 2651.6555 0.0000 0.0000 52121.1334 -109335.6969 299.5409 -161456.8303 -108965.5458 299.8194 -137.3326 -104.7185 762217.9768 9.6954 9.6361 LDB: ============= START OF LOAD BALANCING ============== 3261.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3261.14 LDB: =============== DONE WITH MIGRATION ================ 3261.14 LDB: ============= START OF LOAD BALANCING ============== 3261.46 LDB: Largest compute 7042 load 0.031498 is 16.1% of average load 0.195369 LDB: Average compute 0.004393 is 2.2% of average load 0.195369 LDB: TIME 3261.46 LOAD: AVG 0.195369 MAX 0.213714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.176 MB LDB: TIME 3261.46 LOAD: AVG 0.195369 MAX 0.213714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.379 MB LDB: TIME 3261.46 LOAD: AVG 0.195369 MAX 0.213714 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.379 MB LDB: ============== END OF LOAD BALANCING =============== 3261.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3261.47 PRESSURE: 1028400 -71.4772 21.6539 88.8932 21.6535 -125.819 223.36 88.8936 223.36 202.951 GPRESSURE: 1028400 -11.8886 87.0845 104.258 145.181 -50.5356 209.764 132.593 131.027 158.161 PRESSAVG: 1028400 64.9486 80.6158 -30.7216 80.6158 -94.8922 12.6784 -30.7216 12.6784 2.73797 GPRESSAVG: 1028400 66.3678 83.806 -31.5212 80.2647 -95.6163 11.0462 -29.6885 14.5968 2.09054 TIMING: 1028400 CPU: 3249.25, 0.00322009/step Wall: 3249.25, 0.00322009/step, 3.55247 hours remaining, 235.718750 MB of memory in use. ENERGY: 1028400 4009.5480 20420.8865 14453.8164 266.3362 -203098.4883 2593.1549 0.0000 0.0000 52099.6004 -109255.1459 299.4171 -161354.7463 -108891.8381 299.6435 1.8849 31.9122 763551.7948 -9.0685 -9.0526 PRESSURE: 1028600 -49.7157 17.2087 43.8717 17.2084 93.8043 120.105 43.8715 120.105 -58.8378 GPRESSURE: 1028600 -128.11 -38.6909 148.444 12.7622 116.141 160.527 -89.1988 143.697 82.7278 PRESSAVG: 1028600 -87.3439 33.078 12.6897 33.0779 40.2941 11.8034 12.6897 11.8034 8.20905 GPRESSAVG: 1028600 -89.0554 33.6315 13.459 32.1965 40.8075 10.9215 12.0457 10.4915 8.86356 TIMING: 1028600 CPU: 3249.88, 0.00313734/step Wall: 3249.88, 0.00313734/step, 3.46101 hours remaining, 235.789062 MB of memory in use. ENERGY: 1028600 4016.6729 20599.9317 14469.8054 253.5735 -203458.0117 2700.5597 0.0000 0.0000 52119.0403 -109298.4283 299.5288 -161417.4686 -108939.0258 299.4764 -4.9164 23.5861 760810.9096 -12.9469 -13.1281 PRESSURE: 1028800 316.46 -98.9523 -16.9154 -98.9512 -152.206 -37.5939 -16.9142 -37.594 -6.97984 GPRESSURE: 1028800 362.908 -119.245 -26.2239 -45.2632 -91.2511 44.2174 -7.41739 -54.0594 -18.371 PRESSAVG: 1028800 -50.9734 -18.3813 8.6378 -18.3813 47.4432 -15.2505 8.63784 -15.2506 8.52286 GPRESSAVG: 1028800 -49.292 -19.4615 8.11089 -18.956 46.1076 -14.2712 9.25253 -14.4032 8.50665 TIMING: 1028800 CPU: 3250.51, 0.00315499/step Wall: 3250.51, 0.00315499/step, 3.4803 hours remaining, 236.296875 MB of memory in use. ENERGY: 1028800 3940.4821 20708.6468 14468.9186 256.5045 -203459.1309 2863.8778 0.0000 0.0000 52017.5631 -109203.1380 298.9457 -161220.7011 -108849.1635 299.5331 52.4244 84.4285 760709.6986 1.6642 1.7741 PRESSURE: 1029000 179.773 21.9858 -247.087 21.9861 62.8993 -46.1211 -247.087 -46.1205 -300.574 GPRESSURE: 1029000 246.53 -22.026 -214.356 -15.0314 80.4428 -24.1611 -327.554 22.7462 -308.09 PRESSAVG: 1029000 -29.3316 -14.7948 46.4211 -14.7948 19.2898 -13.4562 46.4211 -13.4561 19.6299 GPRESSAVG: 1029000 -29.9133 -13.3412 46.893 -13.589 19.1661 -12.564 46.8496 -12.5486 20.1006 TIMING: 1029000 CPU: 3251.14, 0.00316554/step Wall: 3251.14, 0.00316554/step, 3.49176 hours remaining, 236.296875 MB of memory in use. ENERGY: 1029000 4059.1948 20640.1801 14480.1457 242.3591 -203551.0969 2603.0507 0.0000 0.0000 52435.6304 -109090.5361 301.3483 -161526.1665 -108729.0752 300.0823 -19.3006 6.2942 761828.4308 3.1961 3.1178 PRESSURE: 1029200 438.72 289.679 371.412 289.68 97.7656 8.21829 371.412 8.21863 283.95 GPRESSURE: 1029200 510.565 280.209 238.988 134.451 76.3775 41.0283 274.48 -62.5022 304.426 PRESSAVG: 1029200 25.7699 -21.9145 -24.1605 -21.9145 -20.9584 -94.3619 -24.1605 -94.3619 -14.3026 GPRESSAVG: 1029200 26.2331 -22.5724 -24.7266 -23.3218 -20.9821 -93.7299 -25.7258 -96.1365 -15.0154 TIMING: 1029200 CPU: 3251.78, 0.00316444/step Wall: 3251.78, 0.00316444/step, 3.49038 hours remaining, 236.296875 MB of memory in use. ENERGY: 1029200 3974.0406 20479.1568 14517.5509 254.0037 -203255.3292 2699.4168 0.0000 0.0000 52185.5973 -109145.5631 299.9113 -161331.1604 -108783.4397 300.2408 273.4786 297.1227 761411.5441 -3.1637 -3.2548 PRESSURE: 1029400 123.843 24.6812 -176.09 24.6806 -42.6496 -100.225 -176.09 -100.224 279.499 GPRESSURE: 1029400 207.006 -52.6489 -146.482 43.8008 -32.4348 11.8893 -177.003 -78.4362 265.564 PRESSAVG: 1029400 50.0137 -26.2679 -27.219 -26.2679 -34.7916 -26.1021 -27.219 -26.102 13.1882 GPRESSAVG: 1029400 49.9188 -26.133 -26.2179 -23.2247 -34.6729 -27.1582 -26.0321 -24.9244 13.353 TIMING: 1029400 CPU: 3252.41, 0.00317758/step Wall: 3252.41, 0.00317758/step, 3.50469 hours remaining, 236.308594 MB of memory in use. ENERGY: 1029400 3929.1328 20666.8858 14471.7305 225.2457 -203242.6798 2773.7940 0.0000 0.0000 51974.5084 -109201.3825 298.6982 -161175.8909 -108852.2411 299.4050 120.2308 146.7116 762774.5951 9.4701 9.5330 PRESSURE: 1029600 334.695 22.1406 -35.0269 22.1408 201.819 -37.4228 -35.0264 -37.4221 -154.982 GPRESSURE: 1029600 391.625 -32.3193 1.03859 6.21871 253.358 14.7489 4.14764 -83.1873 -166.287 PRESSAVG: 1029600 44.6219 -20.0414 16.0841 -20.0414 -11.4741 41.0037 16.0841 41.0036 4.78416 GPRESSAVG: 1029600 45.123 -20.8995 16.939 -20.3396 -11.125 40.2843 16.3175 40.7303 4.43927 TIMING: 1029600 CPU: 3253.05, 0.00316858/step Wall: 3253.05, 0.00316858/step, 3.49459 hours remaining, 236.308594 MB of memory in use. ENERGY: 1029600 3970.5271 20496.6163 14455.3048 249.1688 -203223.1649 2642.5908 0.0000 0.0000 52334.1130 -109074.8441 300.7649 -161408.9571 -108719.4460 300.0704 127.1772 159.5650 762762.9229 12.6440 12.8124 PRESSURE: 1029800 31.6262 -135.306 28.2323 -135.305 -423.925 -34.0616 28.2322 -34.0615 -649.076 GPRESSURE: 1029800 18.6231 -68.8279 53.0312 -64.9967 -342.648 -48.1485 31.8511 -23.9042 -617.046 PRESSAVG: 1029800 39.7905 -22.2667 22.7072 -22.2668 -2.51527 10.0615 22.7072 10.0615 -12.5727 GPRESSAVG: 1029800 38.7229 -21.1071 23.3567 -22.8985 -2.12266 11.385 21.6516 9.41019 -12.2565 TIMING: 1029800 CPU: 3253.68, 0.00316252/step Wall: 3253.68, 0.00316252/step, 3.48774 hours remaining, 236.308594 MB of memory in use. ENERGY: 1029800 3976.5665 20496.4561 14442.1657 237.5663 -203198.2783 2552.7154 0.0000 0.0000 52154.0667 -109338.7416 299.7301 -161492.8083 -108977.2483 299.6329 -347.1250 -313.6904 762432.4641 8.2342 8.1146 PRESSURE: 1030000 33.3451 -33.4191 -2.58312 -33.4184 -199.581 -126.986 -2.5822 -126.985 85.9073 GPRESSURE: 1030000 108.705 -69.0652 22.5364 -48.3422 -159.382 -235.998 -85.3847 72.9715 42.4808 PRESSAVG: 1030000 31.6542 23.4181 -56.48 23.4181 -32.3854 -23.7197 -56.48 -23.7196 16.6439 GPRESSAVG: 1030000 32.8594 20.9568 -57.1562 24.6263 -32.4477 -26.6131 -56.6224 -22.6601 15.3658 TIMING: 1030000 CPU: 3254.31, 0.00316508/step Wall: 3254.31, 0.00316508/step, 3.49038 hours remaining, 236.308594 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: 1030000 3974.7652 20612.2065 14397.9508 245.3625 -203472.7022 2784.1256 0.0000 0.0000 52038.2660 -109420.0256 299.0646 -161458.2915 -109059.8294 299.1109 -26.7762 -2.7323 760624.1882 5.3042 5.2592 PRESSURE: 1030200 91.612 244.868 260.267 244.868 137.208 14.3904 260.266 14.3904 295.268 GPRESSURE: 1030200 123.997 205.883 208.885 311.139 201.908 -41.6118 220.703 -68.7705 284.074 PRESSAVG: 1030200 3.77915 10.795 15.5987 10.795 -13.4055 21.2266 15.5987 21.2267 7.73743 GPRESSAVG: 1030200 3.34292 10.8342 15.5891 11.4113 -14.1799 22.589 15.5901 20.5235 9.44933 TIMING: 1030200 CPU: 3254.94, 0.00315383/step Wall: 3254.94, 0.00315383/step, 3.4778 hours remaining, 236.308594 MB of memory in use. ENERGY: 1030200 4006.8313 20519.7862 14466.8449 265.8107 -203021.1130 2612.3619 0.0000 0.0000 52009.8347 -109139.6431 298.9012 -161149.4778 -108790.5756 299.6465 174.6962 203.3260 762415.9079 -0.6296 -0.4625 PRESSURE: 1030400 275.015 107.647 87.7299 107.648 -338.289 13.1648 87.7297 13.1653 -39.6639 GPRESSURE: 1030400 293.101 73.9127 -65.1248 -91.8323 -288.999 93.5343 71.0957 -39.872 -25.809 PRESSAVG: 1030400 22.591 21.674 -8.16902 21.674 -52.9489 -33.4303 -8.16905 -33.4302 7.17991 GPRESSAVG: 1030400 23.0249 25.2248 -7.4414 17.4361 -51.5677 -32.0962 -9.21584 -34.3029 5.68208 TIMING: 1030400 CPU: 3255.57, 0.00315486/step Wall: 3255.57, 0.00315486/step, 3.47876 hours remaining, 236.308594 MB of memory in use. ENERGY: 1030400 3935.3093 20579.0005 14442.3720 246.5551 -203518.2280 2978.0790 0.0000 0.0000 52378.3981 -108958.5139 301.0194 -161336.9120 -108602.3636 300.2316 -34.3127 -7.2357 761624.9183 -7.7260 -7.6202 PRESSURE: 1030600 -31.2715 -173.754 -101.506 -173.755 -181.815 114.744 -101.506 114.744 151.626 GPRESSURE: 1030600 27.4649 -159.109 -36.8479 -232.154 -171.664 110.334 92.8404 0.641648 163.152 PRESSAVG: 1030600 7.62391 -44.2969 6.60318 -44.2969 10.7226 25.6538 6.60318 25.6537 29.4222 GPRESSAVG: 1030600 5.7559 -45.99 4.97884 -43.0568 12.0557 24.7593 6.12794 26.2466 29.7067 TIMING: 1030600 CPU: 3256.21, 0.00317421/step Wall: 3256.21, 0.00317421/step, 3.49991 hours remaining, 236.308594 MB of memory in use. ENERGY: 1030600 3963.0671 20430.4320 14461.0528 249.7870 -202880.5971 2544.0931 0.0000 0.0000 52404.7714 -108827.3938 301.1709 -161232.1651 -108464.7925 300.8007 -20.4869 6.3178 762923.6117 15.9229 15.8395 PRESSURE: 1030800 -45.8121 -179.678 323.642 -179.678 527.353 61.4051 323.642 61.4042 -20.8612 GPRESSURE: 1030800 31.8306 -141.569 121.532 -65.6782 491.458 75.2233 248.708 37.1506 20.7777 PRESSAVG: 1030800 -8.42115 11.2854 8.4773 11.2855 -19.1443 22.039 8.47732 22.0391 -5.36834 GPRESSAVG: 1030800 -7.22624 8.64653 8.88038 13.8958 -20.5392 21.4607 11.0013 21.9865 -5.46008 TIMING: 1030800 CPU: 3256.85, 0.00318878/step Wall: 3256.85, 0.00318878/step, 3.51581 hours remaining, 236.308594 MB of memory in use. ENERGY: 1030800 3941.4737 20536.0011 14398.6726 243.2946 -203005.9813 2782.5881 0.0000 0.0000 52192.4389 -108911.5123 299.9507 -161103.9512 -108544.4530 300.0798 153.5598 181.3553 762313.5138 -10.9779 -11.0752 PRESSURE: 1031000 158.808 -81.952 68.018 -81.9509 -27.4836 193.373 68.018 193.372 206.515 GPRESSURE: 1031000 230.662 -110.865 44.9038 -33.9369 -53.0265 240.824 31.5238 180.027 263.18 PRESSAVG: 1031000 -1.49832 -19.3166 19.2727 -19.3166 13.7417 19.0193 19.2726 19.0193 -7.8495 GPRESSAVG: 1031000 -1.39677 -19.4167 19.0282 -18.7288 14.3642 18.6184 18.4381 22.1917 -8.22199 TIMING: 1031000 CPU: 3257.48, 0.00318881/step Wall: 3257.48, 0.00318881/step, 3.51566 hours remaining, 236.308594 MB of memory in use. ENERGY: 1031000 3987.9514 20441.0215 14527.9481 246.7139 -202908.7344 2628.7517 0.0000 0.0000 52152.9322 -108923.4156 299.7236 -161076.3478 -108553.7540 300.2017 112.6132 146.9385 761612.2761 1.4646 1.5818 PRESSURE: 1031200 -226.329 -2.93101 11.2677 -2.93227 115.071 -9.45438 11.2681 -9.45437 368.612 GPRESSURE: 1031200 -238.255 -38.2905 -128.465 -71.6593 159.916 9.41282 39.5412 -56.7203 407.593 PRESSAVG: 1031200 14.4417 5.55286 -36.2624 5.55283 -31.9296 -28.4119 -36.2624 -28.4119 8.71332 GPRESSAVG: 1031200 14.1328 7.28926 -34.6326 5.61216 -31.4048 -27.3478 -37.1858 -30.5909 9.04913 TIMING: 1031200 CPU: 3258.12, 0.00320151/step Wall: 3258.12, 0.00320151/step, 3.52949 hours remaining, 236.308594 MB of memory in use. ENERGY: 1031200 3932.1424 20729.8767 14442.9809 245.2745 -203034.9559 2521.3444 0.0000 0.0000 52304.9418 -108858.3952 300.5972 -161163.3370 -108502.0137 300.2042 85.7848 109.7515 760552.7288 -2.9248 -2.7410 PRESSURE: 1031400 427.076 -218.088 -95.2554 -218.088 96.7703 105.936 -95.2548 105.936 -199.113 GPRESSURE: 1031400 442.778 -237.024 -46.3959 -165.023 75.1231 101.655 113.627 134.954 -123.466 PRESSAVG: 1031400 3.1723 -20.8298 -53.3553 -20.8298 36.1579 -36.245 -53.3553 -36.245 8.29356 GPRESSAVG: 1031400 4.17129 -20.7667 -52.8641 -22.3249 34.0671 -35.8427 -53.2395 -38.0894 9.2843 TIMING: 1031400 CPU: 3258.76, 0.00319496/step Wall: 3258.76, 0.00319496/step, 3.52208 hours remaining, 236.308594 MB of memory in use. ENERGY: 1031400 4087.0607 20379.9278 14469.4745 264.7552 -202990.9268 2804.3762 0.0000 0.0000 52221.7337 -108763.5988 300.1190 -160985.3324 -108400.8725 300.5021 108.2443 131.4783 761662.8496 15.8746 15.8409 PRESSURE: 1031600 70.8973 -36.4307 22.1736 -36.4304 59.7851 -29.1898 22.1737 -29.1892 75.9342 GPRESSURE: 1031600 115.497 113.464 52.7223 -106.722 194.639 75.1587 -2.62383 -43.634 -25.7395 PRESSAVG: 1031600 1.0949 -8.56444 -19.8231 -8.56448 -1.28359 49.5557 -19.8231 49.5557 -29.396 GPRESSAVG: 1031600 2.52749 -7.64902 -21.0901 -8.59053 -1.13034 50.7089 -19.3067 51.613 -30.3407 TIMING: 1031600 CPU: 3259.39, 0.00316203/step Wall: 3259.39, 0.00316203/step, 3.48561 hours remaining, 236.308594 MB of memory in use. ENERGY: 1031600 3961.0945 20621.7026 14402.3168 247.8301 -202840.1555 2374.6816 0.0000 0.0000 52155.2948 -109077.2351 299.7372 -161232.5299 -108715.6514 300.1741 68.8722 94.7988 761888.1426 -9.8616 -9.6478 PRESSURE: 1031800 64.3268 64.0759 151.399 64.0765 -52.8332 62.5368 151.399 62.5364 194.044 GPRESSURE: 1031800 112.323 118.396 148.697 121.351 -26.9457 95.4996 105.984 20.0727 200.893 PRESSAVG: 1031800 -39.3386 9.69873 -34.2261 9.69872 18.6444 -15.4968 -34.2261 -15.4967 -13.4718 GPRESSAVG: 1031800 -40.5819 8.27558 -35.6507 10.5924 19.8617 -15.9257 -33.3576 -15.7812 -13.2634 TIMING: 1031800 CPU: 3260.03, 0.00318067/step Wall: 3260.03, 0.00318067/step, 3.50598 hours remaining, 236.308594 MB of memory in use. ENERGY: 1031800 3965.3316 20643.0345 14431.2280 249.7024 -203556.7599 2853.4871 0.0000 0.0000 52185.8950 -109228.0813 299.9131 -161413.9763 -108860.6165 300.1154 68.5127 95.4233 760231.0361 -11.3887 -11.3278 PRESSURE: 1032000 -304.933 182.695 86.8635 182.695 364.9 -108.364 86.8635 -108.365 -244.927 GPRESSURE: 1032000 -223.845 89.1641 41.4542 51.8776 223.192 -96.2398 133.264 -88.5857 -108.227 PRESSAVG: 1032000 20.3677 -5.53496 -3.04257 -5.53497 8.17117 -20.861 -3.04254 -20.861 3.66271 GPRESSAVG: 1032000 20.6043 -4.88636 -3.0793 -7.37107 7.80282 -23.2225 -3.636 -18.7799 4.19283 TIMING: 1032000 CPU: 3260.67, 0.00319023/step Wall: 3260.67, 0.00319023/step, 3.51634 hours remaining, 236.308594 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: 1032000 3974.5670 20432.8873 14485.1547 260.9056 -203578.2598 3062.5899 0.0000 0.0000 52090.7331 -109271.4222 299.3662 -161362.1553 -108908.8450 299.7416 -61.6533 -36.2931 762851.4434 10.7339 10.8667 PRESSURE: 1032200 23.2907 22.8921 -323.824 22.891 -305.909 -107.482 -323.822 -107.483 165.422 GPRESSURE: 1032200 40.4426 71.3993 -300.262 45.9066 -238.417 -183.437 -339.692 -85.0087 158.996 PRESSAVG: 1032200 -1.82895 24.3005 2.65715 24.3004 17.402 18.646 2.6572 18.6459 5.9643 GPRESSAVG: 1032200 -0.727752 22.8377 5.04349 24.2814 16.7267 19.9075 1.27522 17.1287 5.85862 TIMING: 1032200 CPU: 3261.31, 0.00318258/step Wall: 3261.31, 0.00318258/step, 3.50773 hours remaining, 236.308594 MB of memory in use. ENERGY: 1032200 3968.6519 20661.6061 14484.7596 260.0786 -203203.1059 2467.5314 0.0000 0.0000 52195.3343 -109165.1440 299.9673 -161360.4783 -108801.9336 299.5617 -39.0655 -12.9928 761113.1561 7.1791 7.2859 LDB: ============= START OF LOAD BALANCING ============== 3273.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3273.84 LDB: =============== DONE WITH MIGRATION ================ 3273.84 LDB: ============= START OF LOAD BALANCING ============== 3274.16 LDB: Largest compute 7042 load 0.033834 is 17.3% of average load 0.195335 LDB: Average compute 0.004395 is 2.2% of average load 0.195335 LDB: TIME 3274.16 LOAD: AVG 0.195335 MAX 0.213947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.094 MB LDB: TIME 3274.17 LOAD: AVG 0.195335 MAX 0.213947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: TIME 3274.17 LOAD: AVG 0.195335 MAX 0.213947 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.297 MB LDB: ============== END OF LOAD BALANCING =============== 3274.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3274.17 PRESSURE: 1032400 269.735 60.0042 102.064 60.0041 172.717 120.421 102.064 120.42 -74.8542 GPRESSURE: 1032400 267.482 74.6609 80.1706 -25.3758 252.003 130.038 111.108 210.687 -75.4529 PRESSAVG: 1032400 -23.1488 -2.01151 15.9012 -2.01152 0.496669 -9.38791 15.9011 -9.38792 -12.2962 GPRESSAVG: 1032400 -24.2556 -1.62605 15.2395 -1.19852 1.82544 -9.36694 14.5501 -9.72056 -12.8038 TIMING: 1032400 CPU: 3261.95, 0.00324628/step Wall: 3261.95, 0.00324628/step, 3.57776 hours remaining, 232.269531 MB of memory in use. ENERGY: 1032400 3950.1061 20461.1497 14518.9658 249.0436 -203418.3281 2767.3175 0.0000 0.0000 52294.9615 -109176.7839 300.5399 -161471.7454 -108800.4668 299.5734 122.5324 148.0104 760165.2822 -11.6494 -11.7446 PRESSURE: 1032600 -231.281 -125.55 -49.8856 -125.55 -116.494 61.2246 -49.8845 61.224 -259.626 GPRESSURE: 1032600 -173.767 -167.474 -64.0576 -23.2015 -74.4391 71.927 63.273 71.7999 -267.059 PRESSAVG: 1032600 36.7065 -23.8993 13.9926 -23.8993 11.8572 42.8164 13.9926 42.8164 26.4336 GPRESSAVG: 1032600 37.7537 -23.5901 12.5708 -24.5844 10.5669 42.3376 17.4623 42.6731 26.643 TIMING: 1032600 CPU: 3262.59, 0.00317032/step Wall: 3262.59, 0.00317032/step, 3.49387 hours remaining, 232.472656 MB of memory in use. ENERGY: 1032600 3926.8867 20542.2403 14474.0085 253.8423 -202979.4325 2427.5479 0.0000 0.0000 52043.6538 -109311.2531 299.0956 -161354.9069 -108946.0744 299.5293 -202.4669 -171.7551 763397.1343 24.9991 24.9879 PRESSURE: 1032800 -246.683 -88.1321 147.884 -88.1321 -300.939 83.7577 147.883 83.7581 -38.787 GPRESSURE: 1032800 -231.744 4.00094 142.867 -58.1468 -248.467 37.2891 61.6661 82.3171 -23.5852 PRESSAVG: 1032800 30.9946 8.27224 -8.17559 8.27222 -13.0572 34.2056 -8.17562 34.2055 -16.8421 GPRESSAVG: 1032800 29.7369 8.68231 -5.68697 9.74037 -11.453 35.5219 -9.93 32.4187 -16.6857 TIMING: 1032800 CPU: 3263.22, 0.00317272/step Wall: 3263.22, 0.00317273/step, 3.49634 hours remaining, 232.472656 MB of memory in use. ENERGY: 1032800 3970.6947 20459.3813 14558.3228 253.7239 -203359.8126 2643.2290 0.0000 0.0000 51971.4081 -109503.0527 298.6804 -161474.4608 -109145.7173 298.6721 -195.4698 -167.9321 761591.9141 0.3651 0.5327 PRESSURE: 1033000 -161.022 -141.152 75.9542 -141.151 -298.954 -185.098 75.9543 -185.098 43.8618 GPRESSURE: 1033000 -131.028 -22.9373 62.5131 -129.068 -294.215 -124.423 188.852 -52.2398 103.413 PRESSAVG: 1033000 2.02643 -0.656235 8.24455 -0.656164 -38.1346 28.4907 8.24456 28.4906 -16.1375 GPRESSAVG: 1033000 2.17088 -3.33869 5.23049 -2.04499 -38.9532 28.0451 7.73685 30.742 -15.6986 TIMING: 1033000 CPU: 3263.86, 0.00318256/step Wall: 3263.86, 0.00318256/step, 3.507 hours remaining, 232.472656 MB of memory in use. ENERGY: 1033000 4047.3893 20370.1143 14495.0553 251.6840 -203295.6857 2786.0475 0.0000 0.0000 51855.1838 -109490.2116 298.0125 -161345.3953 -109126.1747 298.6936 -138.7048 -107.2765 762230.2161 -17.4152 -17.4936 PRESSURE: 1033200 -181.903 145.487 -171.795 145.487 227.172 90.8434 -171.795 90.8435 37.9694 GPRESSURE: 1033200 -65.1156 153.617 -159.727 215.144 126.865 124.734 -225.632 70.6091 115.91 PRESSAVG: 1033200 100.385 1.4208 1.08953 1.42081 -26.6367 -27.7605 1.08948 -27.7605 1.87526 GPRESSAVG: 1033200 99.449 3.45575 2.10452 -0.377654 -25.335 -28.3194 2.12376 -28.1108 1.64213 TIMING: 1033200 CPU: 3264.5, 0.00319199/step Wall: 3264.5, 0.00319199/step, 3.51722 hours remaining, 232.472656 MB of memory in use. ENERGY: 1033200 3965.3685 20364.3346 14395.3879 263.2433 -203227.2025 2368.7429 0.0000 0.0000 52329.1961 -109540.9293 300.7366 -161870.1253 -109160.1779 299.5339 27.7462 59.2197 761118.1950 25.2077 25.2521 PRESSURE: 1033400 119.044 -99.5827 92.0064 -99.5832 138.43 292.838 92.0064 292.838 -78.4528 GPRESSURE: 1033400 121.147 -90.3438 134.165 -110.005 185.809 187.782 165.952 268.417 -60.0576 PRESSAVG: 1033400 -21.2582 9.62617 8.74892 9.62614 -11.9172 -1.34559 8.74892 -1.34563 -18.4582 GPRESSAVG: 1033400 -20.6576 8.95359 9.14268 8.72869 -11.5618 -0.489539 9.13031 -0.878948 -19.5379 TIMING: 1033400 CPU: 3265.14, 0.00319049/step Wall: 3265.14, 0.00319049/step, 3.51539 hours remaining, 232.472656 MB of memory in use. ENERGY: 1033400 4003.8938 20556.0836 14497.0556 228.6923 -203173.2782 2776.2913 0.0000 0.0000 51657.3386 -109453.9230 296.8754 -161111.2615 -109094.8791 298.6228 59.6737 82.2992 763478.7772 -17.2112 -17.2525 PRESSURE: 1033600 443.162 -136.285 -8.09328 -136.286 -118.988 97.2132 -8.09277 97.2124 -98.368 GPRESSURE: 1033600 388.545 -137.966 -5.57899 -76.0803 -43.703 126.95 -12.1991 122.404 -35.1825 PRESSAVG: 1033600 10.482 21.5832 -29.5004 21.5831 -10.9358 -49.8582 -29.5004 -49.8584 1.72196 GPRESSAVG: 1033600 10.2568 22.4338 -28.8307 25.7904 -12.5038 -50.8596 -29.4815 -49.5757 3.03078 TIMING: 1033600 CPU: 3265.78, 0.00319406/step Wall: 3265.78, 0.00319406/step, 3.51915 hours remaining, 232.472656 MB of memory in use. ENERGY: 1033600 3934.3087 20598.8935 14464.6575 229.5946 -203067.5640 2423.6259 0.0000 0.0000 52019.4952 -109396.9886 298.9568 -161416.4838 -109032.0737 299.3279 75.2686 103.2198 763125.0024 0.4227 0.2612 PRESSURE: 1033800 -406.385 -77.7744 353.356 -77.7752 -280.623 8.13076 353.358 8.13028 -475.212 GPRESSURE: 1033800 -246.553 -9.73362 332.254 -48.3964 -286.343 36.5723 244.399 -84.7335 -547.317 PRESSAVG: 1033800 4.06771 -14.8976 3.76044 -14.8976 -0.0847783 18.2213 3.76043 18.2212 19.8162 GPRESSAVG: 1033800 5.26131 -15.4481 2.33324 -14.9315 -1.17348 18.6191 4.02986 16.1278 19.697 TIMING: 1033800 CPU: 3266.41, 0.00316872/step Wall: 3266.41, 0.00316872/step, 3.49105 hours remaining, 232.472656 MB of memory in use. ENERGY: 1033800 4012.4835 20493.1846 14436.7474 242.0403 -203291.9009 2577.6300 0.0000 0.0000 51993.3902 -109536.4249 298.8067 -161529.8151 -109171.0795 298.7519 -387.4068 -360.0707 762637.8628 7.9330 7.9283 PRESSURE: 1034000 -104.764 -244.258 44.3553 -244.258 162.867 -16.881 44.3542 -16.8803 214.924 GPRESSURE: 1034000 -83.8636 -199.768 52.8736 -194.735 157.009 -39.1022 84.9364 156.257 264.178 PRESSAVG: 1034000 16.5518 31.7563 26.3122 31.7563 -14.882 53.1438 26.3123 53.1437 12.6539 GPRESSAVG: 1034000 15.4799 31.4872 26.0546 31.7648 -13.6051 53.0369 27.1453 56.1742 11.8035 TIMING: 1034000 CPU: 3267.04, 0.00316795/step Wall: 3267.04, 0.00316795/step, 3.49003 hours remaining, 232.472656 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: 1034000 3960.7716 20506.9508 14487.5016 241.7427 -203621.2615 2748.0409 0.0000 0.0000 52064.7389 -109611.5150 299.2168 -161676.2539 -109250.4135 298.9753 91.0088 112.4411 761335.5143 4.7745 4.5594 PRESSURE: 1034200 -21.1633 15.9099 -167.569 15.9101 -464.478 41.5499 -167.569 41.55 -257.441 GPRESSURE: 1034200 -65.2779 86.7546 -116.058 -14.8999 -306.447 35.1976 -41.8178 -37.3404 -277.771 PRESSAVG: 1034200 27.4268 -15.9462 1.32441 -15.9462 -63.6392 13.0267 1.32434 13.0266 30.8519 GPRESSAVG: 1034200 26.8608 -15.0333 2.93575 -17.6675 -63.7157 13.6109 -1.73835 11.2139 31.0547 TIMING: 1034200 CPU: 3267.68, 0.00319487/step Wall: 3267.68, 0.00319487/step, 3.5195 hours remaining, 232.472656 MB of memory in use. ENERGY: 1034200 3982.9724 20456.5307 14485.4445 245.2980 -202800.9263 2160.6814 0.0000 0.0000 51949.0482 -109520.9510 298.5519 -161469.9992 -109168.2743 298.5670 -247.6940 -216.4986 761664.2143 -1.7869 -1.9334 PRESSURE: 1034400 110.873 87.1858 89.8531 87.187 86.2297 -164.584 89.853 -164.584 439.884 GPRESSURE: 1034400 172.952 55.219 41.9532 47.3022 130.144 -264.397 -76.7473 -30.5646 422.177 PRESSAVG: 1034400 7.61696 1.7018 30.9855 1.70182 -23.4692 -38.6538 30.9855 -38.6539 14.9825 GPRESSAVG: 1034400 7.61109 1.96784 30.4108 1.82425 -23.4015 -38.7227 29.5143 -38.5028 15.5565 TIMING: 1034400 CPU: 3268.31, 0.00315919/step Wall: 3268.31, 0.00315919/step, 3.48002 hours remaining, 232.472656 MB of memory in use. ENERGY: 1034400 3940.4008 20604.3079 14416.1704 241.8292 -203912.6364 2964.8920 0.0000 0.0000 52077.0927 -109667.9435 299.2878 -161745.0361 -109308.6384 299.2050 212.3291 241.7576 760658.9290 -0.2899 -0.0780 PRESSURE: 1034600 -6.04734 -117.795 -13.2005 -117.795 443.981 6.95168 -13.2007 6.95166 572.981 GPRESSURE: 1034600 57.0885 -119.365 75.3098 -149.917 391.715 -35.6926 177.795 30.7052 629.34 PRESSAVG: 1034600 16.4357 -29.6052 -34.3711 -29.6052 -69.8476 -1.61519 -34.3712 -1.61517 1.62615 GPRESSAVG: 1034600 17.4899 -30.7257 -34.7888 -29.6788 -70.224 -1.38396 -32.1922 -1.17978 0.829071 TIMING: 1034600 CPU: 3268.95, 0.00317483/step Wall: 3268.95, 0.00317483/step, 3.49707 hours remaining, 232.472656 MB of memory in use. ENERGY: 1034600 3891.6872 20562.9623 14463.8850 258.1157 -203471.0063 2753.8183 0.0000 0.0000 52110.8512 -109429.6867 299.4818 -161540.5379 -109054.4877 299.0167 336.9716 359.3812 759069.4166 -17.2619 -17.3017 PRESSURE: 1034800 85.2384 -114.178 -71.403 -114.179 49.0201 155.045 -71.4036 155.046 15.7766 GPRESSURE: 1034800 191.226 -116.768 -15.9363 -155.677 104.611 160.352 -71.6174 60.5658 -54.1009 PRESSAVG: 1034800 -39.1564 7.5185 -17.8065 7.51848 1.02875 14.6215 -17.8065 14.6215 1.2135 GPRESSAVG: 1034800 -39.0185 7.85653 -19.2431 8.14769 0.635914 14.3036 -17.2313 14.1152 1.96203 TIMING: 1034800 CPU: 3269.58, 0.00316051/step Wall: 3269.58, 0.00316051/step, 3.48112 hours remaining, 232.472656 MB of memory in use. ENERGY: 1034800 3894.0029 20551.8124 14468.2864 246.4203 -203125.5275 2539.3692 0.0000 0.0000 51987.3626 -109438.2737 298.7721 -161425.6363 -109081.8451 299.0910 50.0117 80.5786 761238.1533 -12.3047 -12.1402 PRESSURE: 1035000 23.2237 -15.2466 -1.71355 -15.2473 -281.981 -106.717 -1.71327 -106.716 95.4955 GPRESSURE: 1035000 1.97443 51.3777 112.209 89.4212 -223.12 -135.359 -173.868 -55.6968 141.041 PRESSAVG: 1035000 16.9534 -23.9428 -10.9591 -23.9427 -13.7704 1.19896 -10.9591 1.19896 1.5475 GPRESSAVG: 1035000 14.8498 -23.7291 -6.91207 -24.3175 -12.2055 -0.237348 -13.3518 3.19925 1.96189 TIMING: 1035000 CPU: 3270.21, 0.00315491/step Wall: 3270.21, 0.00315491/step, 3.47478 hours remaining, 232.472656 MB of memory in use. ENERGY: 1035000 3947.0656 20615.4251 14506.9196 229.8637 -203457.5318 2823.3134 0.0000 0.0000 52107.7180 -109227.2264 299.4638 -161334.9444 -108863.2721 299.5272 -54.4206 -26.7016 761837.8722 1.5768 1.5354 PRESSURE: 1035200 146.027 9.35389 238.72 9.35437 -274.214 124.331 238.72 124.33 64.5566 GPRESSURE: 1035200 170.125 -44.1286 253.439 -10.3113 -239.747 96.6522 215.317 123.002 88.1024 PRESSAVG: 1035200 -16.1675 -5.69613 11.0793 -5.69612 1.93996 -20.3291 11.0792 -20.329 15.9036 GPRESSAVG: 1035200 -14.3453 -5.26037 9.41356 -6.48689 0.0273552 -19.6872 12.2224 -23.0276 15.5268 TIMING: 1035200 CPU: 3270.85, 0.00317456/step Wall: 3270.85, 0.00317456/step, 3.49625 hours remaining, 232.472656 MB of memory in use. ENERGY: 1035200 4032.7299 20497.3838 14530.2096 246.1745 -203451.9514 2752.4681 0.0000 0.0000 52038.1171 -109354.8684 299.0638 -161392.9855 -108995.2114 299.2177 -21.2103 6.1603 762241.7816 0.5587 0.4029 PRESSURE: 1035400 165.463 119.956 114.694 119.957 -262.989 115.431 114.694 115.431 328.692 GPRESSURE: 1035400 260.583 102.273 47.7662 100.807 -255.1 83.6826 -8.58367 159.137 328.789 PRESSAVG: 1035400 33.1046 -19.3178 -24.8912 -19.3178 -27.0246 -35.1598 -24.8912 -35.1599 12.9483 GPRESSAVG: 1035400 33.1114 -20.3579 -26.6421 -17.3618 -27.0368 -32.9459 -25.4741 -33.7627 14.2207 TIMING: 1035400 CPU: 3271.48, 0.00318367/step Wall: 3271.48, 0.00318367/step, 3.5061 hours remaining, 232.472656 MB of memory in use. ENERGY: 1035400 3931.2797 20481.7414 14436.6238 261.9738 -203356.4595 2735.0366 0.0000 0.0000 51994.4657 -109515.3386 298.8129 -161509.8043 -109160.0637 298.5835 77.0554 111.4239 762633.3464 6.3428 6.7651 PRESSURE: 1035600 -29.5921 -11.8038 98.4615 -11.8032 85.8611 147.803 98.4618 147.803 109.74 GPRESSURE: 1035600 13.0213 -76.6964 47.9751 -60.5111 9.88079 154.505 61.191 59.2621 223.704 PRESSAVG: 1035600 5.59012 -5.3364 12.4834 -5.33645 -8.00776 12.7479 12.4835 12.7478 2.68196 GPRESSAVG: 1035600 4.9644 -3.93313 12.9795 -5.40013 -7.5673 10.9303 15.1826 11.3988 2.51341 TIMING: 1035600 CPU: 3272.12, 0.0031806/step Wall: 3272.12, 0.0031806/step, 3.50255 hours remaining, 232.472656 MB of memory in use. ENERGY: 1035600 3901.5789 20680.2487 14420.7539 240.7315 -203179.4950 2638.9420 0.0000 0.0000 52021.4553 -109275.7848 298.9680 -161297.2401 -108924.5704 299.1702 55.3364 82.2020 763375.9211 0.0881 -0.0298 PRESSURE: 1035800 -124.381 25.1776 44.3498 25.1789 70.932 313.653 44.3495 313.653 316.002 GPRESSURE: 1035800 -4.12568 -132.252 89.2715 61.3613 12.003 267.555 85.6487 253.979 331.081 PRESSAVG: 1035800 31.4742 8.32612 -11.4348 8.32617 25.4903 23.2471 -11.4348 23.2471 2.37278 GPRESSAVG: 1035800 32.0954 8.20177 -11.2947 6.56705 24.9791 22.0038 -12.97 23.3017 1.66126 TIMING: 1035800 CPU: 3272.76, 0.00320134/step Wall: 3272.76, 0.00320134/step, 3.52521 hours remaining, 232.472656 MB of memory in use. ENERGY: 1035800 3909.9262 20451.6939 14442.1292 243.9437 -203327.7186 2555.3489 0.0000 0.0000 52257.5900 -109467.0867 300.3251 -161724.6768 -109100.4387 299.1704 87.5175 112.9860 763700.1946 19.7791 19.5786 PRESSURE: 1036000 -82.4551 43.2318 -168.421 43.2327 -282.958 -242.888 -168.42 -242.89 281.943 GPRESSURE: 1036000 -133.318 115.603 -160.91 -50.6333 -175.056 -332.582 -213.816 3.34023 307.812 PRESSAVG: 1036000 -8.18719 -37.9955 -9.25248 -37.9955 -25.9551 73.6177 -9.25248 73.6177 16.0555 GPRESSAVG: 1036000 -9.23615 -37.1848 -10.329 -37.5701 -25.3505 74.4455 -9.33447 75.8149 16.1303 TIMING: 1036000 CPU: 3273.4, 0.00318697/step Wall: 3273.4, 0.00318697/step, 3.50921 hours remaining, 232.472656 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: 1036000 3934.2003 20486.0705 14530.7754 247.1670 -203229.5083 2558.2967 0.0000 0.0000 52117.7446 -109355.2537 299.5214 -161472.9984 -108997.4999 298.6167 -27.8235 -0.1877 762725.3202 -6.0289 -6.1521 PRESSURE: 1036200 -65.9386 -102.401 -123.547 -102.402 -87.3593 -163.519 -123.546 -163.518 24.0022 GPRESSURE: 1036200 -94.1265 -161.252 -19.9244 -59.0013 4.66374 -98.4815 -181.02 -149.648 74.6604 PRESSAVG: 1036200 45.2228 -29.1459 -7.13287 -29.1459 -43.533 -52.458 -7.13282 -52.4581 -1.53274 GPRESSAVG: 1036200 45.4768 -31.9389 -7.94225 -29.7688 -43.4818 -51.1739 -7.83195 -54.4504 -1.62541 TIMING: 1036200 CPU: 3274.03, 0.0031778/step Wall: 3274.03, 0.0031778/step, 3.49894 hours remaining, 232.472656 MB of memory in use. ENERGY: 1036200 3927.1284 20353.7420 14410.7941 256.5456 -203588.5750 2850.5074 0.0000 0.0000 51996.0379 -109793.8196 298.8219 -161789.8575 -109437.9361 298.8699 -43.0986 -4.9341 763359.4726 0.0524 0.1232 LDB: ============= START OF LOAD BALANCING ============== 3286.57 LDB: ============== END OF LOAD BALANCING =============== 3286.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3286.57 LDB: ============= START OF LOAD BALANCING ============== 3286.89 LDB: Largest compute 7042 load 0.031862 is 16.3% of average load 0.195280 LDB: Average compute 0.004395 is 2.3% of average load 0.195280 LDB: TIME 3286.89 LOAD: AVG 0.19528 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.574 MB LDB: TIME 3286.89 LOAD: AVG 0.19528 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.777 MB LDB: TIME 3286.89 LOAD: AVG 0.19528 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.777 MB LDB: ============== END OF LOAD BALANCING =============== 3286.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3286.9 PRESSURE: 1036400 -275.59 53.0431 -182.701 53.0443 3.05602 163.55 -182.701 163.55 -187.758 GPRESSURE: 1036400 -275.562 -26.0399 -141.006 17.6971 149.536 161.669 -132.28 152.209 -222.974 PRESSAVG: 1036400 33.2344 16.865 -33.8895 16.8651 -27.1915 54.9382 -33.8895 54.9383 -3.7117 GPRESSAVG: 1036400 32.9883 16.0291 -30.8148 17.5829 -26.5536 54.1379 -33.7425 58.0695 -3.94806 TIMING: 1036400 CPU: 3274.68, 0.00323446/step Wall: 3274.68, 0.00323445/step, 3.56113 hours remaining, 233.406250 MB of memory in use. ENERGY: 1036400 4020.5810 20321.8612 14435.4087 252.0543 -203643.0595 2943.8219 0.0000 0.0000 51945.8054 -109723.5269 298.5333 -161669.3323 -109364.2887 297.4076 -153.4305 -116.3330 763622.3994 0.7770 0.8289 PRESSURE: 1036600 42.6194 -40.8885 79.7434 -40.8877 22.1778 -107.354 79.7435 -107.353 -102.768 GPRESSURE: 1036600 -68.5227 -109.697 -27.8861 -16.2097 185.668 -128.68 110.133 -197.166 -95.3907 PRESSAVG: 1036600 25.4812 27.4098 8.16315 27.4098 -38.5144 52.5782 8.16316 52.5782 -2.75169 GPRESSAVG: 1036600 25.1795 29.9688 6.99101 25.9849 -38.204 52.6863 8.45298 50.2251 -2.43414 TIMING: 1036600 CPU: 3275.31, 0.00316608/step Wall: 3275.31, 0.00316608/step, 3.48567 hours remaining, 233.609375 MB of memory in use. ENERGY: 1036600 3971.9538 20394.5502 14468.1910 239.0636 -203652.7590 2923.6018 0.0000 0.0000 52006.7465 -109648.6521 298.8835 -161655.3986 -109285.2534 298.3711 -12.6568 7.2517 764228.1705 -5.2616 -5.1529 PRESSURE: 1036800 -152.745 125.58 -284.921 125.581 -275.644 -261.111 -284.92 -261.111 -404.841 GPRESSURE: 1036800 -108.612 48.8941 -194.06 48.5615 -292.566 -197.882 -257.537 -152.981 -358.215 PRESSAVG: 1036800 56.5106 25.7052 -17.2111 25.7052 -44.7003 5.45639 -17.211 5.45637 29.8 GPRESSAVG: 1036800 57.849 24.2034 -17.5735 27.2161 -47.0168 6.03122 -17.8578 5.57117 30.717 TIMING: 1036800 CPU: 3275.95, 0.00317274/step Wall: 3275.95, 0.00317274/step, 3.49283 hours remaining, 233.609375 MB of memory in use. ENERGY: 1036800 3980.9882 20533.9045 14422.8496 237.5217 -203630.4717 2770.9354 0.0000 0.0000 52126.3326 -109557.9398 299.5707 -161684.2724 -109186.5238 298.8589 -277.7433 -253.1309 764703.8137 13.8701 13.8497 PRESSURE: 1037000 -37.635 -191.54 -180.757 -191.54 -90.8098 125.072 -180.756 125.073 251.381 GPRESSURE: 1037000 -47.0256 -278.037 -213.52 -138.064 -96.4225 148.207 -175.054 107.98 338.708 PRESSAVG: 1037000 -18.6541 7.02078 -8.1738 7.02078 -27.4431 10.95 -8.17378 10.95 -3.52055 GPRESSAVG: 1037000 -19.439 7.48838 -6.14026 8.72366 -26.2066 11.5534 -9.75792 11.9669 -3.78084 TIMING: 1037000 CPU: 3276.58, 0.00316872/step Wall: 3276.58, 0.00316872/step, 3.48823 hours remaining, 233.609375 MB of memory in use. ENERGY: 1037000 3947.7819 20632.5330 14424.9029 239.4024 -203316.0605 2799.1495 0.0000 0.0000 52004.4960 -109267.7948 298.8706 -161272.2908 -108914.9703 299.2380 40.9788 65.0866 764437.8381 -16.5392 -16.4755 PRESSURE: 1037200 66.2805 -44.9113 109.664 -44.9115 198.286 73.8914 109.664 73.8904 394.917 GPRESSURE: 1037200 69.0797 56.6459 159.499 -62.22 225.143 -27.9235 48.5186 133.235 444.002 PRESSAVG: 1037200 13.3378 34.7376 -30.2912 34.7376 -33.8193 3.11767 -30.2912 3.11768 11.2687 GPRESSAVG: 1037200 13.4521 36.6207 -32.3497 30.1432 -34.6344 2.88903 -27.745 1.65526 12.1123 TIMING: 1037200 CPU: 3277.22, 0.00318919/step Wall: 3277.22, 0.00318919/step, 3.51059 hours remaining, 233.609375 MB of memory in use. ENERGY: 1037200 3902.4133 20544.8422 14499.0929 242.4536 -203688.1821 3011.8416 0.0000 0.0000 51976.8239 -109510.7146 298.7115 -161487.5384 -109146.2208 298.9372 219.8279 246.0746 763477.2776 -3.0709 -3.0234 PRESSURE: 1037400 323.392 -138.863 -203.688 -138.864 233.92 -253.188 -203.687 -253.189 -1.4083 GPRESSURE: 1037400 321.61 -122.057 -225.419 -185.421 258.718 -199.254 -165.056 -222.232 67.2444 PRESSAVG: 1037400 25.6807 14.5137 -14.3455 14.5137 -73.4882 15.7807 -14.3455 15.7807 3.45748 GPRESSAVG: 1037400 25.7663 13.8033 -15.6891 15.3424 -73.3539 15.226 -14.0551 15.8385 3.10212 TIMING: 1037400 CPU: 3277.86, 0.00318506/step Wall: 3277.86, 0.00318506/step, 3.50587 hours remaining, 233.609375 MB of memory in use. ENERGY: 1037400 3970.1677 20501.1255 14454.9844 244.7537 -203835.7228 3170.9913 0.0000 0.0000 51861.5195 -109632.1807 298.0489 -161493.7002 -109278.4491 298.4744 185.3014 215.8575 761744.1088 -14.7833 -14.8285 PRESSURE: 1037600 -305.667 -56.6287 254.098 -56.6291 -133.775 -45.747 254.099 -45.7471 -215.87 GPRESSURE: 1037600 -193.852 -129.252 264.673 16.7731 -153.362 -87.5594 28.987 3.29627 -226.723 PRESSAVG: 1037600 40.5637 19.7844 -50.0999 19.7844 -39.0054 -31.2879 -50.0999 -31.288 -11.5208 GPRESSAVG: 1037600 39.5323 18.405 -49.9542 19.83 -37.7314 -31.5175 -48.9037 -29.6478 -11.9691 TIMING: 1037600 CPU: 3278.49, 0.00317285/step Wall: 3278.49, 0.00317285/step, 3.49225 hours remaining, 233.609375 MB of memory in use. ENERGY: 1037600 3910.9810 20479.7556 14456.1587 236.3714 -203443.0704 2814.6623 0.0000 0.0000 52040.3804 -109504.7610 299.0768 -161545.1413 -109142.4480 298.3822 -218.4375 -191.3121 763316.2176 -3.3208 -3.3894 PRESSURE: 1037800 -66.306 -93.6375 12.8464 -93.6371 -222.443 85.9796 12.8466 85.9796 -171.781 GPRESSURE: 1037800 -12.9985 -134.233 54.6117 -3.97938 -219.131 99.0548 -15.7639 55.5136 -143.828 PRESSAVG: 1037800 47.0432 27.2682 10.2615 27.2682 -46.9414 1.87245 10.2615 1.87242 11.1751 GPRESSAVG: 1037800 48.282 29.9167 11.8521 29.5848 -47.6574 1.82843 7.76887 0.399027 10.8232 TIMING: 1037800 CPU: 3279.12, 0.00316568/step Wall: 3279.12, 0.00316568/step, 3.48418 hours remaining, 233.609375 MB of memory in use. ENERGY: 1037800 3957.9631 20520.2099 14436.2471 224.5154 -202990.5243 2362.8712 0.0000 0.0000 51951.1331 -109537.5844 298.5639 -161488.7175 -109179.4529 299.3305 -153.5098 -125.3193 764064.8707 3.7590 3.8159 PRESSURE: 1038000 -214.581 -48.8893 -17.1488 -48.8895 300.813 96.3104 -17.1484 96.3109 72.2192 GPRESSURE: 1038000 -105.349 -43.2957 -43.0867 -36.1502 355.896 141.278 24.0423 54.2139 0.114598 PRESSAVG: 1038000 3.70162 17.0462 -61.9091 17.0462 -2.90092 -4.82765 -61.9091 -4.82761 -28.2078 GPRESSAVG: 1038000 2.2295 16.3286 -62.0143 15.3285 -2.90309 -5.80817 -60.9152 -2.91081 -26.8464 TIMING: 1038000 CPU: 3279.76, 0.0031847/step Wall: 3279.76, 0.0031847/step, 3.50494 hours remaining, 233.609375 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: 1038000 4003.1849 20352.0983 14402.4807 238.9199 -203207.4688 2628.5067 0.0000 0.0000 52023.3853 -109558.8931 298.9791 -161582.2784 -109193.3620 298.4904 52.8168 83.5538 761809.0629 -9.1357 -9.1733 PRESSURE: 1038200 137.612 41.0262 -17.4057 41.0266 -256.644 -102.949 -17.4064 -102.949 -364.285 GPRESSURE: 1038200 86.8023 25.5168 29.4541 73.7637 -119.31 -144.919 -34.8532 9.8274 -374.716 PRESSAVG: 1038200 -46.9369 31.5995 25.866 31.5996 77.0856 -20.0737 25.8661 -20.0737 10.8939 GPRESSAVG: 1038200 -46.8934 30.3065 26.0694 33.3182 77.5709 -20.0694 24.6757 -20.09 9.84252 TIMING: 1038200 CPU: 3280.4, 0.00319851/step Wall: 3280.4, 0.00319851/step, 3.51996 hours remaining, 233.609375 MB of memory in use. ENERGY: 1038200 4011.2284 20501.0047 14495.3263 248.9478 -203334.9755 2540.3210 0.0000 0.0000 51904.6259 -109633.5216 298.2966 -161538.1475 -109266.1619 298.5806 -161.1054 -135.7413 762643.7414 13.6808 13.5067 PRESSURE: 1038400 250.519 145.865 -159.6 145.865 -205.103 95.1473 -159.599 95.1474 -47.3 GPRESSURE: 1038400 259.418 159.969 -136.016 130.145 -161.672 81.6199 -215.062 157.047 -6.24189 PRESSAVG: 1038400 -11.2193 27.2933 -43.8121 27.2933 -23.8016 -15.3219 -43.8121 -15.3219 7.42071 GPRESSAVG: 1038400 -10.0533 28.313 -44.5836 24.4437 -24.6236 -14.11 -42.4761 -16.4116 6.60428 TIMING: 1038400 CPU: 3281.04, 0.0031896/step Wall: 3281.04, 0.0031896/step, 3.50998 hours remaining, 233.609375 MB of memory in use. ENERGY: 1038400 3959.3433 20384.9486 14442.3077 237.1534 -203229.0326 2527.1871 0.0000 0.0000 52007.2532 -109670.8395 298.8864 -161678.0927 -109310.4072 298.2670 -0.6281 30.5011 762676.3306 -9.2001 -9.3576 PRESSURE: 1038600 154.025 274.258 7.2816 274.259 139.47 -169.221 7.28213 -169.222 -312.806 GPRESSURE: 1038600 201.883 170.575 13.1367 324.043 124.559 -207.759 -95.7388 -107.861 -244.841 PRESSAVG: 1038600 48.3081 45.4541 -53.5795 45.4541 -56.6682 -32.4138 -53.5795 -32.4137 -6.22797 GPRESSAVG: 1038600 48.2772 45.7004 -52.1358 46.1928 -57.0126 -32.4108 -52.7132 -30.2087 -5.35052 TIMING: 1038600 CPU: 3281.67, 0.003145/step Wall: 3281.67, 0.003145/step, 3.46072 hours remaining, 233.609375 MB of memory in use. ENERGY: 1038600 3931.2951 20310.4572 14460.0630 238.2376 -203389.1952 2753.6794 0.0000 0.0000 51946.5577 -109748.9052 298.5376 -161695.4630 -109387.6954 298.3864 -6.4369 27.2004 762676.9129 -4.8627 -4.6953 PRESSURE: 1038800 1.53859 108.257 -11.045 108.257 -136.923 60.1196 -11.0444 60.1187 263.423 GPRESSURE: 1038800 37.2102 120.007 40.7379 158.425 -44.5565 16.7015 6.29643 55.8925 231.379 PRESSAVG: 1038800 -27.4207 22.5131 -16.6185 22.5131 -18.4956 -6.51468 -16.6185 -6.51463 29.6965 GPRESSAVG: 1038800 -27.2693 22.0997 -17.6056 22.341 -18.3375 -8.33484 -17.1345 -7.99833 28.9694 TIMING: 1038800 CPU: 3282.3, 0.00314686/step Wall: 3282.3, 0.00314686/step, 3.4626 hours remaining, 233.609375 MB of memory in use. ENERGY: 1038800 4081.0952 20431.5494 14462.6099 233.6704 -203469.5877 2810.4915 0.0000 0.0000 52032.2439 -109417.9273 299.0300 -161450.1712 -109067.7694 298.7828 42.6796 74.6775 761635.2134 -5.4066 -5.5458 PRESSURE: 1039000 -282.729 -13.6522 237.228 -13.6522 -787.511 179.633 237.228 179.634 -204.775 GPRESSURE: 1039000 -271.718 -12.2246 204.519 -12.6141 -651.742 189.37 266.891 124.175 -278.552 PRESSAVG: 1039000 -2.03752 24.0205 15.6746 24.0205 12.2208 -5.63035 15.6745 -5.63036 8.2375 GPRESSAVG: 1039000 -2.00617 23.9094 16.5475 23.1631 12.6258 -5.70975 14.4592 -6.31338 8.20502 TIMING: 1039000 CPU: 3282.92, 0.00314161/step Wall: 3282.92, 0.00314161/step, 3.45664 hours remaining, 233.609375 MB of memory in use. ENERGY: 1039000 4070.4530 20244.0208 14483.3494 233.6922 -203128.7548 2694.7683 0.0000 0.0000 52152.1063 -109250.3646 299.7189 -161402.4710 -108878.9097 299.1809 -425.0052 -400.6706 764185.1684 6.1403 6.2749 PRESSURE: 1039200 10.9902 5.89178 -44.8352 5.89164 290.658 56.8554 -44.8351 56.8552 -236.795 GPRESSURE: 1039200 30.6298 -65.3191 -81.1358 131.67 292.292 60.1225 28.7182 35.0582 -192.282 PRESSAVG: 1039200 43.4799 -8.45389 -23.2337 -8.45388 54.5538 1.24901 -23.2336 1.249 5.76954 GPRESSAVG: 1039200 43.4813 -9.64647 -22.2265 -6.5857 53.4141 2.48028 -21.8218 0.839034 6.28311 TIMING: 1039200 CPU: 3283.56, 0.00315735/step Wall: 3283.56, 0.00315735/step, 3.47378 hours remaining, 233.609375 MB of memory in use. ENERGY: 1039200 3994.2109 20466.3526 14437.4850 261.8507 -203937.5934 3105.8276 0.0000 0.0000 52049.5454 -109622.3212 299.1295 -161671.8666 -109257.1148 299.2012 21.6175 43.5463 762266.5846 34.6011 34.3928 PRESSURE: 1039400 -188.637 197.725 247.45 197.723 -221.938 -196.777 247.449 -196.776 99.3509 GPRESSURE: 1039400 -151.365 298.626 182.296 280.094 -122.645 -159.21 158.619 -253.235 63.0147 PRESSAVG: 1039400 21.1988 -5.36901 -6.21156 -5.36898 -14.123 13.6418 -6.21164 13.6418 -16.3841 GPRESSAVG: 1039400 21.4775 -3.21505 -6.94071 -6.06657 -13.774 13.5577 -8.09636 12.5662 -17.1681 TIMING: 1039400 CPU: 3284.19, 0.00319111/step Wall: 3284.19, 0.00319111/step, 3.51075 hours remaining, 233.609375 MB of memory in use. ENERGY: 1039400 3933.3111 20583.5933 14368.7675 233.9252 -203380.7174 2734.1729 0.0000 0.0000 51874.2897 -109652.6577 298.1223 -161526.9474 -109288.3587 298.6523 -103.7416 -70.3317 763614.3003 -3.1028 -3.1549 PRESSURE: 1039600 -242.561 27.11 59.8751 27.1096 -591.615 -4.49226 59.8752 -4.49222 -223.232 GPRESSURE: 1039600 -126.134 93.4112 32.9788 12.6531 -564.421 39.1758 46.4927 -33.6344 -273.508 PRESSAVG: 1039600 24.2116 25.7389 29.7149 25.7389 -8.62613 -92.6461 29.7149 -92.646 -0.789829 GPRESSAVG: 1039600 23.9564 24.422 28.0155 26.6318 -8.10642 -92.484 29.495 -90.1922 -0.757449 TIMING: 1039600 CPU: 3284.84, 0.00321159/step Wall: 3284.84, 0.00321159/step, 3.5331 hours remaining, 233.609375 MB of memory in use. ENERGY: 1039600 3990.1903 20512.3504 14482.8905 245.4922 -203189.9055 2732.9704 0.0000 0.0000 51540.6760 -109685.3357 296.2050 -161226.0117 -109325.9859 298.4825 -352.4692 -321.3545 763854.8089 4.9319 5.0309 PRESSURE: 1039800 234.372 -27.0207 -199.659 -27.0203 312.902 200.629 -199.659 200.631 196.676 GPRESSURE: 1039800 306.766 -96.0899 -150.805 -53.6152 350.317 221.345 -171.975 37.727 171.549 PRESSAVG: 1039800 10.2855 29.9961 -36.9434 29.9961 -36.7544 35.5929 -36.9434 35.5929 3.90958 GPRESSAVG: 1039800 9.48133 29.6061 -34.5118 27.6832 -36.1773 34.3732 -35.9299 34.036 4.19143 TIMING: 1039800 CPU: 3285.47, 0.00318533/step Wall: 3285.47, 0.00318533/step, 3.50404 hours remaining, 233.609375 MB of memory in use. ENERGY: 1039800 4016.5898 20507.4745 14480.1148 259.6164 -203774.2740 3138.7196 0.0000 0.0000 51946.3641 -109425.3948 298.5365 -161371.7588 -109085.8403 297.9567 247.9832 276.2108 761268.3312 -7.5198 -7.5015 PRESSURE: 1040000 93.8053 -109.381 68.0738 -109.381 -302.802 -18.3227 68.0735 -18.3229 -36.4042 GPRESSURE: 1040000 113.839 -154.201 85.0937 -22.3699 -208.674 -24.1153 223.744 -95.9964 -52.0442 PRESSAVG: 1040000 72.1086 29.7257 9.49244 29.7258 -25.4317 8.20152 9.49238 8.20156 -6.23726 GPRESSAVG: 1040000 72.8864 32.0143 9.95237 31.3662 -26.2414 11.2018 8.55113 7.0001 -6.90429 TIMING: 1040000 CPU: 3286.11, 0.00316043/step Wall: 3286.11, 0.00316043/step, 3.47647 hours remaining, 233.609375 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: 1040000 4013.5017 20579.7844 14413.8373 245.1990 -202944.2296 2363.5929 0.0000 0.0000 52038.5529 -109289.7613 299.0663 -161328.3141 -108934.5199 299.2695 -81.8003 -48.9597 762683.4812 13.4799 13.2469 PRESSURE: 1040200 -310.313 -35.8977 170.14 -35.8976 -372.178 47.0474 170.14 47.0461 -118.62 GPRESSURE: 1040200 -250.286 -94.7691 137.245 -77.0134 -313.015 22.0009 207.396 131.095 -136.163 PRESSAVG: 1040200 39.769 28.5924 12.9971 28.5925 -4.40085 20.551 12.9972 20.5511 28.5491 GPRESSAVG: 1040200 40.088 29.1215 11.5929 30.1957 -3.9277 18.8956 14.5896 20.8665 28.2691 TIMING: 1040200 CPU: 3286.74, 0.00315863/step Wall: 3286.74, 0.00315863/step, 3.47432 hours remaining, 233.609375 MB of memory in use. ENERGY: 1040200 4040.3339 20332.7026 14482.9662 259.3461 -203220.7342 2615.5046 0.0000 0.0000 51891.5004 -109598.3805 298.2212 -161489.8809 -109223.9651 298.9448 -267.0367 -233.1549 763087.3540 21.3058 21.4765 LDB: ============= START OF LOAD BALANCING ============== 3299.27 LDB: ============== END OF LOAD BALANCING =============== 3299.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3299.27 LDB: ============= START OF LOAD BALANCING ============== 3299.59 LDB: Largest compute 7042 load 0.032734 is 16.8% of average load 0.195299 LDB: Average compute 0.004405 is 2.3% of average load 0.195299 LDB: TIME 3299.6 LOAD: AVG 0.195299 MAX 0.217838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.16 MB LDB: TIME 3299.6 LOAD: AVG 0.195299 MAX 0.217838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 3299.6 LOAD: AVG 0.195299 MAX 0.217838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 3299.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3299.6 PRESSURE: 1040400 -158.561 31.0064 81.7594 31.0075 -289.725 80.7165 81.759 80.717 153.604 GPRESSURE: 1040400 -115.489 -74.8457 158.615 0.78949 -223.621 123.392 -60.8159 107.747 119.592 PRESSAVG: 1040400 -32.2496 31.0763 29.6226 31.0763 28.8271 -24.9184 29.6226 -24.9184 16.2978 GPRESSAVG: 1040400 -32.3335 29.4406 29.6682 28.668 28.2176 -24.2149 29.3499 -23.4984 17.0127 TIMING: 1040400 CPU: 3287.39, 0.00324834/step Wall: 3287.39, 0.00324834/step, 3.57281 hours remaining, 235.195312 MB of memory in use. ENERGY: 1040400 4020.1364 20462.9435 14488.4493 267.9577 -203272.4957 2395.7381 0.0000 0.0000 52090.7267 -109546.5441 299.3661 -161637.2708 -109181.0586 298.2880 -98.2273 -73.1730 764941.3055 4.2918 4.2990 PRESSURE: 1040600 171.1 -72.2846 312.072 -72.285 52.468 49.9248 312.071 49.9251 51.7531 GPRESSURE: 1040600 266.623 -125.08 291.133 -102.814 42.4017 75.7332 221.776 -47.9036 41.4171 PRESSAVG: 1040600 38.1938 -20.0864 28.1472 -20.0864 7.3281 0.0200443 28.1472 0.0201262 15.913 GPRESSAVG: 1040600 39.0748 -17.908 27.1472 -20.6607 7.54486 -1.08305 27.293 -1.28627 15.6315 TIMING: 1040600 CPU: 3288.02, 0.00318511/step Wall: 3288.02, 0.00318511/step, 3.50309 hours remaining, 235.195312 MB of memory in use. ENERGY: 1040600 3987.3620 20601.9386 14409.6786 242.6253 -203304.7099 2582.6766 0.0000 0.0000 51744.8430 -109735.5858 297.3783 -161480.4288 -109374.7638 298.5037 91.7736 116.8141 762571.2920 20.4783 20.7504 PRESSURE: 1040800 32.12 87.2833 -32.2267 87.2832 -254.881 -66.4993 -32.2274 -66.4989 155.212 GPRESSURE: 1040800 101.809 193.076 25.734 49.0469 -276.795 -139.082 42.9392 -30.256 200.315 PRESSAVG: 1040800 1.34136 20.7786 -13.6318 20.7786 16.9246 12.2101 -13.6319 12.2101 4.55043 GPRESSAVG: 1040800 1.08821 20.7434 -14.436 21.6122 16.6523 13.3988 -10.49 14.1471 4.81865 TIMING: 1040800 CPU: 3288.66, 0.00316656/step Wall: 3288.66, 0.00316656/step, 3.48251 hours remaining, 235.332031 MB of memory in use. ENERGY: 1040800 3992.1901 20312.7772 14447.1229 258.2253 -203165.6525 2534.7413 0.0000 0.0000 51951.9666 -109668.6290 298.5687 -161620.5956 -109311.2694 297.8640 -22.5161 8.4430 762505.0644 7.6055 7.5197 PRESSURE: 1041000 -168.676 20.9167 -143.557 20.9167 54.8838 34.1083 -143.557 34.1097 -582.643 GPRESSURE: 1041000 -188.399 156.494 -141.238 -9.36135 101.694 -9.67058 -69.8161 -87.6457 -521.698 PRESSAVG: 1041000 26.2454 19.3552 -26.1386 19.3552 -30.0848 -11.8262 -26.1386 -11.8262 19.1536 GPRESSAVG: 1041000 24.9235 18.9787 -24.1772 20.1833 -28.339 -11.3476 -28.117 -12.6632 18.4363 TIMING: 1041000 CPU: 3289.29, 0.00314903/step Wall: 3289.29, 0.00314903/step, 3.46305 hours remaining, 235.332031 MB of memory in use. ENERGY: 1041000 4040.5809 20344.1422 14489.9957 250.1980 -202987.3740 2383.2595 0.0000 0.0000 52067.8707 -109411.3270 299.2348 -161479.1977 -109047.9581 298.6342 -232.1450 -202.8009 764292.2374 5.1047 5.0069 PRESSURE: 1041200 -115.045 -186.194 -86.1031 -186.194 170.677 -175.124 -86.1042 -175.127 -306.888 GPRESSURE: 1041200 -98.7486 -128.764 -196.079 -110.577 185.473 -206.474 -154.334 -172.887 -250.76 PRESSAVG: 1041200 -58.5624 80.1043 -36.9903 80.1043 53.28 -46.4182 -36.9904 -46.4181 4.32339 GPRESSAVG: 1041200 -58.2998 78.2173 -36.2137 78.34 51.7966 -48.0575 -37.8187 -49.309 5.75508 TIMING: 1041200 CPU: 3289.92, 0.00317087/step Wall: 3289.92, 0.00317087/step, 3.4869 hours remaining, 235.332031 MB of memory in use. ENERGY: 1041200 3984.9976 20538.1558 14452.5911 246.3537 -203490.9722 2834.1955 0.0000 0.0000 52138.5364 -109296.1422 299.6409 -161434.6785 -108933.0532 299.1321 -83.7521 -54.6786 763133.0001 -0.3196 -0.2494 PRESSURE: 1041400 169.403 54.7365 -106.327 54.7348 103.694 -285.216 -106.326 -285.215 91.7827 GPRESSURE: 1041400 147.78 121.626 -81.093 175.916 170.744 -299.025 -16.0164 -188.84 122.956 PRESSAVG: 1041400 -46.5777 61.2383 -66.0501 61.2383 8.8981 -88.9152 -66.0501 -88.9152 -15.4995 GPRESSAVG: 1041400 -46.3741 62.1331 -66.7163 62.5192 10.0964 -88.085 -66.3532 -85.6351 -16.4517 TIMING: 1041400 CPU: 3290.56, 0.00317639/step Wall: 3290.56, 0.00317639/step, 3.49279 hours remaining, 235.332031 MB of memory in use. ENERGY: 1041400 3952.5053 20692.5312 14457.2638 259.3079 -203782.0482 3096.7021 0.0000 0.0000 52189.1170 -109134.6208 299.9316 -161323.7378 -108768.0218 299.2433 121.6264 147.1600 762511.3083 -17.7264 -17.5765 PRESSURE: 1041600 -212.112 58.3993 -169.237 58.3995 90.6977 189.901 -169.236 189.901 -404.191 GPRESSURE: 1041600 -205.82 -46.9004 -186.32 -31.719 95.1048 260.688 -75.2788 218.501 -342.155 PRESSAVG: 1041600 -19.3165 -30.8574 -96.1484 -30.8574 33.41 -43.8827 -96.1484 -43.8828 25.859 GPRESSAVG: 1041600 -20.1902 -31.2174 -95.1104 -30.6978 33.9343 -42.7955 -93.7452 -46.9269 26.4078 TIMING: 1041600 CPU: 3291.19, 0.00315849/step Wall: 3291.19, 0.00315849/step, 3.47294 hours remaining, 235.332031 MB of memory in use. ENERGY: 1041600 4070.7582 20703.1964 14515.6583 242.7956 -203369.5915 2696.2821 0.0000 0.0000 52043.3891 -109097.5118 299.0941 -161140.9009 -108735.6070 299.6589 -175.2018 -150.9567 763226.2772 13.3175 13.3840 PRESSURE: 1041800 -101.608 -78.8054 -168.212 -78.8068 -413.03 271.592 -168.212 271.592 228.985 GPRESSURE: 1041800 -67.9302 -2.05841 -266.741 24.8533 -361.583 130.24 -108.806 145.369 226.365 PRESSAVG: 1041800 24.4746 11.1577 -80.5409 11.1578 -21.2532 39.2263 -80.5409 39.2263 24.4461 GPRESSAVG: 1041800 26.2487 11.4506 -79.8474 11.8912 -22.3322 37.6758 -82.2428 40.7732 24.2769 TIMING: 1041800 CPU: 3291.82, 0.00315821/step Wall: 3291.82, 0.00315821/step, 3.47245 hours remaining, 235.332031 MB of memory in use. ENERGY: 1041800 4137.2027 20613.7825 14421.4535 253.7606 -203115.8833 2448.2187 0.0000 0.0000 52072.5985 -109168.8667 299.2619 -161241.4652 -108800.7671 299.4513 -95.2178 -67.7161 763178.9220 9.2225 9.3978 PRESSURE: 1042000 -143.828 21.5472 22.4364 21.5472 -44.1819 243.742 22.4367 243.741 -351.637 GPRESSURE: 1042000 -124.542 29.0081 -0.0896329 72.3833 -41.0691 326.405 76.4397 145.721 -302.184 PRESSAVG: 1042000 -43.3562 -14.6963 -1.08305 -14.6963 67.4967 16.6923 -1.08313 16.6924 -3.32293 GPRESSAVG: 1042000 -44.8464 -12.605 -2.61163 -16.1887 67.938 17.3812 -0.659029 17.986 -2.5035 TIMING: 1042000 CPU: 3292.45, 0.00314828/step Wall: 3292.45, 0.00314828/step, 3.46136 hours remaining, 235.332031 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: 1042000 4003.8051 20610.4434 14529.7044 250.8841 -203182.4069 2356.8682 0.0000 0.0000 52241.8970 -109188.8048 300.2349 -161430.7017 -108835.0204 299.3829 -179.8826 -155.9318 762731.9338 6.9392 6.8627 PRESSURE: 1042200 -88.3099 191.989 -70.4415 191.989 -42.6314 -96.954 -70.4415 -96.9527 -337.549 GPRESSURE: 1042200 -115.709 311.928 45.965 164.126 21.0411 21.0455 -155.592 -173.63 -297.52 PRESSAVG: 1042200 -26.084 0.997466 -32.0343 0.997498 -7.06505 24.6176 -32.0343 24.6175 -2.30511 GPRESSAVG: 1042200 -26.4937 -1.98418 -30.6419 4.34066 -6.35257 24.9421 -32.6766 23.6135 -2.23972 TIMING: 1042200 CPU: 3293.08, 0.00317022/step Wall: 3293.08, 0.00317022/step, 3.4853 hours remaining, 235.332031 MB of memory in use. ENERGY: 1042200 3972.5463 20600.6580 14483.8757 253.4396 -203543.3293 2912.8475 0.0000 0.0000 52150.7330 -109169.2292 299.7110 -161319.9622 -108805.0649 299.7859 -156.1634 -130.7293 763859.5816 -11.8181 -11.6953 PRESSURE: 1042400 190.874 58.0151 -62.7544 58.0158 -152.06 13.4163 -62.7553 13.4161 225.823 GPRESSURE: 1042400 242.314 -4.77798 22.1622 72.342 -100.672 -13.5274 -178.06 94.4838 204.093 PRESSAVG: 1042400 16.4699 2.85431 -30.4805 2.85436 18.8526 -63.3801 -30.4806 -63.3801 9.10236 GPRESSAVG: 1042400 17.4746 1.75251 -30.096 -0.315216 18.1738 -64.0041 -31.3803 -64.1054 8.56162 TIMING: 1042400 CPU: 3293.72, 0.00315735/step Wall: 3293.72, 0.00315735/step, 3.47098 hours remaining, 235.332031 MB of memory in use. ENERGY: 1042400 3879.5942 20605.1600 14516.4846 252.3937 -202938.0849 2357.3068 0.0000 0.0000 51800.4788 -109526.6668 297.6981 -161327.1455 -109159.8518 299.3820 88.2122 115.2454 763537.2257 14.8083 14.7367 PRESSURE: 1042600 236.777 -36.3808 143.315 -36.3799 -31.2517 108.647 143.314 108.647 300.382 GPRESSURE: 1042600 289.266 32.1391 133.112 -93.9376 -78.8036 59.4784 176.971 119.109 375.279 PRESSAVG: 1042600 -1.63423 13.0561 -57.353 13.056 6.63319 -38.5856 -57.3529 -38.5856 5.44906 GPRESSAVG: 1042600 -1.48572 15.7849 -56.9924 14.2984 7.56552 -37.5098 -55.9078 -37.7084 4.37505 TIMING: 1042600 CPU: 3294.35, 0.00316921/step Wall: 3294.35, 0.00316921/step, 3.48385 hours remaining, 235.332031 MB of memory in use. ENERGY: 1042600 3971.8060 20626.6687 14507.0569 232.5132 -203411.5685 2644.6943 0.0000 0.0000 52230.8025 -109198.0267 300.1711 -161428.8293 -108837.2335 299.1163 168.6358 195.2470 761499.5461 3.4827 3.4849 PRESSURE: 1042800 -94.7235 -127.365 -79.7342 -127.366 -135.625 -25.6781 -79.7343 -25.679 177.156 GPRESSURE: 1042800 -88.5194 -69.4628 -112.36 -67.7198 11.0495 3.96908 -114.376 -39.78 103.115 PRESSAVG: 1042800 -14.7123 4.82963 -36.315 4.8297 13.1318 9.57973 -36.315 9.57964 -15.301 GPRESSAVG: 1042800 -14.5833 5.28447 -37.7737 4.89155 12.9411 11.5387 -35.6091 7.07924 -14.9529 TIMING: 1042800 CPU: 3294.98, 0.00316615/step Wall: 3294.98, 0.00316615/step, 3.4803 hours remaining, 235.332031 MB of memory in use. ENERGY: 1042800 3929.4052 20472.7424 14510.7855 235.4466 -203169.9419 2444.6681 0.0000 0.0000 52202.3642 -109374.5299 300.0077 -161576.8941 -109015.4945 299.1852 -17.7309 8.5485 762386.4878 -5.6272 -5.5317 PRESSURE: 1043000 74.6501 48.5688 48.2821 48.5684 12.2102 164.854 48.2825 164.854 518.341 GPRESSURE: 1043000 116.819 -47.2615 108.847 26.8346 40.7717 164.386 -144.042 217.337 533.816 PRESSAVG: 1043000 -62.5187 12.5721 -31.7154 12.5722 66.8223 16.2128 -31.7154 16.2128 10.61 GPRESSAVG: 1043000 -63.4593 13.1283 -31.0157 11.634 66.29 13.3356 -32.7463 19.2137 11.5037 TIMING: 1043000 CPU: 3295.61, 0.00315193/step Wall: 3295.61, 0.00315193/step, 3.46449 hours remaining, 235.332031 MB of memory in use. ENERGY: 1043000 3897.8132 20646.8805 14471.3568 249.1674 -203457.6125 2621.6427 0.0000 0.0000 52065.9938 -109504.7582 299.2240 -161570.7520 -109139.2461 299.2249 201.7337 230.4690 761286.4979 4.9712 4.7782 PRESSURE: 1043200 -179.547 -19.144 -21.5973 -19.1437 125.941 -163.744 -21.5972 -163.744 -106.469 GPRESSURE: 1043200 -85.5227 -58.1717 -29.6857 -120.778 17.9307 -69.7596 83.3336 -41.0377 -20.6142 PRESSAVG: 1043200 60.0945 4.54112 4.02771 4.5411 -16.5842 10.0917 4.02769 10.0917 10.9132 GPRESSAVG: 1043200 62.1521 2.96488 2.81387 6.4708 -18.444 11.8894 5.78898 8.81992 10.9328 TIMING: 1043200 CPU: 3296.25, 0.00317482/step Wall: 3296.25, 0.00317482/step, 3.48949 hours remaining, 235.332031 MB of memory in use. ENERGY: 1043200 3982.5804 20588.0800 14438.8748 250.8513 -203310.6669 2581.6706 0.0000 0.0000 51872.9842 -109595.6256 298.1148 -161468.6098 -109238.4213 298.7192 -53.3585 -29.4021 763217.8920 18.1411 18.2136 PRESSURE: 1043400 273.305 53.5422 -70.836 53.5418 189.205 -161.791 -70.8361 -161.792 251.358 GPRESSURE: 1043400 262.866 106.236 -55.0341 -13.0304 200.964 -165.55 -146.476 -101.26 329.416 PRESSAVG: 1043400 -9.0367 -6.34995 -21.3595 -6.34988 -49.2196 -12.6925 -21.3595 -12.6925 -4.27312 GPRESSAVG: 1043400 -10.9068 -3.4877 -20.4643 -9.33102 -46.8202 -13.4734 -22.0914 -12.1161 -4.69847 TIMING: 1043400 CPU: 3296.88, 0.00315407/step Wall: 3296.88, 0.00315407/step, 3.4665 hours remaining, 235.332031 MB of memory in use. ENERGY: 1043400 3875.3527 20484.2025 14530.7284 262.4435 -203434.5412 2785.0989 0.0000 0.0000 51908.2640 -109588.4512 298.3175 -161496.7152 -109232.0308 298.7849 237.9558 264.4152 762960.7827 -20.8432 -20.8085 PRESSURE: 1043600 -282.719 140.016 -35.1566 140.016 -109.676 196.71 -35.1573 196.71 -198.152 GPRESSURE: 1043600 -243.627 188.825 -6.43782 129.725 -86.3211 143.044 64.9551 117.892 -180.152 PRESSAVG: 1043600 -1.45385 25.8505 -9.93776 25.8505 14.6066 -26.7587 -9.93776 -26.7587 -11.6893 GPRESSAVG: 1043600 -0.388331 24.7249 -9.91691 26.764 14.8324 -26.6334 -9.86019 -27.1796 -13.111 TIMING: 1043600 CPU: 3297.51, 0.00315109/step Wall: 3297.51, 0.00315109/step, 3.46305 hours remaining, 235.332031 MB of memory in use. ENERGY: 1043600 3944.5204 20536.0630 14574.5966 244.8538 -203442.5886 2814.9628 0.0000 0.0000 51922.6606 -109404.9315 298.4002 -161327.5921 -109040.2625 298.8468 -196.8491 -170.0332 763016.6089 0.4878 0.4444 PRESSURE: 1043800 384.488 -144.221 -81.7356 -144.222 411.771 43.0922 -81.7346 43.0918 480.058 GPRESSURE: 1043800 441.78 -103.668 -40.8121 -63.3307 404.871 14.0699 -134.712 98.9299 524.391 PRESSAVG: 1043800 13.8971 -22.0634 9.22219 -22.0634 23.0196 -21.6686 9.22224 -21.6686 -20.1146 GPRESSAVG: 1043800 13.2682 -24.2261 8.55489 -22.5023 22.522 -23.284 9.0371 -20.0172 -19.0155 TIMING: 1043800 CPU: 3298.14, 0.00315261/step Wall: 3298.14, 0.00315261/step, 3.46454 hours remaining, 235.332031 MB of memory in use. ENERGY: 1043800 3978.1154 20418.0679 14548.8327 241.9523 -203483.4319 2795.2879 0.0000 0.0000 52024.4665 -109476.7093 298.9853 -161501.1758 -109114.1848 298.6990 425.4388 457.0138 763025.0586 5.6007 5.5916 PRESSURE: 1044000 -331.352 89.8888 158.968 89.8884 -86.6429 -85.3652 158.968 -85.3657 -122.889 GPRESSURE: 1044000 -339.493 200.384 169.59 58.7177 3.47118 32.9342 69.8691 -71.3236 -131.012 PRESSAVG: 1044000 48.3595 -35.2395 25.994 -35.2396 -25.3937 -56.5603 25.9939 -56.5603 27.7892 GPRESSAVG: 1044000 47.6442 -33.5833 27.4253 -35.3993 -25.4637 -53.8248 23.2099 -58.332 28.7328 TIMING: 1044000 CPU: 3298.78, 0.00318095/step Wall: 3298.78, 0.00318095/step, 3.49552 hours remaining, 235.332031 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: 1044000 4040.4916 20493.1014 14593.4316 259.2655 -203851.1742 2900.8467 0.0000 0.0000 51852.3871 -109711.6503 297.9964 -161564.0374 -109356.2245 298.7990 -180.2948 -155.6781 763234.2055 16.9183 16.9711 PRESSURE: 1044200 -92.5557 -37.8488 -273.717 -37.8486 -57.9627 4.86585 -273.716 4.86487 -317.94 GPRESSURE: 1044200 -39.3645 194.181 -322.935 -5.33749 -28.7737 -42.0248 -142.856 23.8883 -326.669 PRESSAVG: 1044200 -0.803457 35.7986 -10.7391 35.7986 45.8045 -35.8117 -10.7391 -35.8117 -11.5204 GPRESSAVG: 1044200 2.362 35.2758 -9.06398 36.5289 44.0915 -37.5099 -9.5874 -36.7214 -12.728 TIMING: 1044200 CPU: 3299.41, 0.00315146/step Wall: 3299.41, 0.00315146/step, 3.46293 hours remaining, 235.332031 MB of memory in use. ENERGY: 1044200 3945.6166 20503.9414 14467.8643 246.7064 -203629.3647 2695.6418 0.0000 0.0000 52150.0930 -109619.5013 299.7073 -161769.5943 -109253.8307 298.5647 -156.1527 -131.6025 761467.5782 11.1602 11.2418 LDB: ============= START OF LOAD BALANCING ============== 3311.94 LDB: ============== END OF LOAD BALANCING =============== 3311.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3311.94 LDB: ============= START OF LOAD BALANCING ============== 3312.26 LDB: Largest compute 7042 load 0.033339 is 17.1% of average load 0.195288 LDB: Average compute 0.004404 is 2.3% of average load 0.195288 LDB: TIME 3312.26 LOAD: AVG 0.195288 MAX 0.215948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.855 MB LDB: TIME 3312.26 LOAD: AVG 0.195288 MAX 0.215948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.855 MB LDB: TIME 3312.26 LOAD: AVG 0.195288 MAX 0.215948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.855 MB LDB: ============== END OF LOAD BALANCING =============== 3312.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3312.27 PRESSURE: 1044400 -61.1974 -32.9601 32.3406 -32.9603 243.317 -113.107 32.3401 -113.107 132.629 GPRESSURE: 1044400 -55.5582 -0.424467 52.083 -192.166 230.85 -103.1 84.2199 -63.3291 211.105 PRESSAVG: 1044400 -83.328 -33.4254 -17.023 -33.4254 104.617 -27.29 -17.023 -27.29 14.1073 GPRESSAVG: 1044400 -85.7193 -31.4191 -19.3344 -32.0477 106.964 -25.1183 -14.869 -27.3201 14.4111 TIMING: 1044400 CPU: 3300.05, 0.0032159/step Wall: 3300.05, 0.0032159/step, 3.53356 hours remaining, 232.367188 MB of memory in use. ENERGY: 1044400 3963.7828 20544.2816 14428.8406 243.0408 -203607.1736 2925.0202 0.0000 0.0000 51847.6349 -109654.5726 297.9691 -161502.2076 -109287.7092 298.4667 104.9164 128.7987 761597.9512 11.7988 11.8851 PRESSURE: 1044600 23.2744 171.017 -21.7849 171.018 108.835 166.886 -21.7848 166.887 -282.16 GPRESSURE: 1044600 162.533 149.248 -90.5412 223.5 66.156 191.044 -16.0485 65.7139 -281.895 PRESSAVG: 1044600 -25.9084 36.8182 -15.7799 36.8182 52.9252 -25.1479 -15.7799 -25.148 -12.939 GPRESSAVG: 1044600 -26.1414 33.3635 -14.7102 36.4675 51.9214 -27.0363 -16.6562 -24.6681 -11.4891 TIMING: 1044600 CPU: 3300.68, 0.0031545/step Wall: 3300.68, 0.0031545/step, 3.46592 hours remaining, 232.367188 MB of memory in use. ENERGY: 1044600 3982.7681 20407.0875 14479.2612 247.4312 -203722.2719 2825.5819 0.0000 0.0000 51992.7849 -109787.3572 298.8032 -161780.1421 -109427.5020 298.2982 -50.0170 -17.7353 761116.9804 4.6926 4.7636 PRESSURE: 1044800 -210.838 -100.329 103.263 -100.329 -143.927 -137.936 103.262 -137.937 168.229 GPRESSURE: 1044800 -222.395 -182.076 63.6171 -8.19203 -10.5562 -198.84 99.628 -104.93 132.726 PRESSAVG: 1044800 -33.9574 7.8715 -19.8819 7.87143 25.6497 5.75034 -19.8818 5.75032 -18.275 GPRESSAVG: 1044800 -32.3932 9.97498 -19.3551 5.1147 25.5863 6.63201 -22.109 6.88076 -19.63 TIMING: 1044800 CPU: 3301.31, 0.00317305/step Wall: 3301.31, 0.00317305/step, 3.48613 hours remaining, 232.367188 MB of memory in use. ENERGY: 1044800 3951.7755 20632.0660 14461.1920 226.3029 -203408.9312 2787.8847 0.0000 0.0000 51769.0725 -109580.6376 297.5176 -161349.7101 -109224.0654 298.3386 -62.1787 -33.4086 763568.0446 -8.8609 -8.8123 PRESSURE: 1045000 197.152 294.507 -88.294 294.507 288.35 138.446 -88.2937 138.444 -168.59 GPRESSURE: 1045000 191.909 141.039 -71.5036 164.555 278.887 173.394 -123.866 64.8045 -76.2287 PRESSAVG: 1045000 -43.7387 -37.4688 -61.1082 -37.4688 64.4511 15.1063 -61.1082 15.1064 -11.9256 GPRESSAVG: 1045000 -44.6189 -39.4938 -61.5635 -37.0204 65.0094 15.2438 -61.4553 13.7328 -11.5008 TIMING: 1045000 CPU: 3301.94, 0.00314523/step Wall: 3301.94, 0.00314523/step, 3.45538 hours remaining, 232.367188 MB of memory in use. ENERGY: 1045000 4024.8270 20393.9340 14554.5129 255.7186 -203497.1267 2862.3375 0.0000 0.0000 51758.9984 -109646.7984 297.4597 -161405.7967 -109287.9324 298.3232 105.6374 131.5225 760403.9766 2.9289 2.9633 PRESSURE: 1045200 -78.797 -133.395 -141.557 -133.395 -49.8637 33.2185 -141.555 33.2192 -172.673 GPRESSURE: 1045200 -73.547 -71.9089 -97.3345 -167.949 -25.2751 98.0428 -85.2723 83.0303 -127.575 PRESSAVG: 1045200 -22.8028 -26.7324 40.9324 -26.7324 29.3781 5.8123 40.9324 5.81234 -17.4271 GPRESSAVG: 1045200 -21.8649 -26.5294 39.6173 -25.859 28.716 4.25534 43.8424 6.22934 -17.7361 TIMING: 1045200 CPU: 3302.57, 0.00314758/step Wall: 3302.57, 0.00314758/step, 3.45779 hours remaining, 232.367188 MB of memory in use. ENERGY: 1045200 3976.3616 20515.8980 14561.9816 237.5371 -203731.9139 2894.7563 0.0000 0.0000 51982.3077 -109563.0716 298.7430 -161545.3793 -109203.1229 298.1903 -100.4447 -75.4656 761007.8584 -3.6172 -3.6283 PRESSURE: 1045400 -207.656 -56.3328 14.953 -56.3336 12.5753 -95.3583 14.9534 -95.3574 121.795 GPRESSURE: 1045400 -119.634 -10.0414 10.8519 27.823 -6.61533 -84.5254 162.112 -135.208 132.47 PRESSAVG: 1045400 -80.7348 -93.8607 -10.011 -93.8607 92.4777 20.5491 -10.011 20.5491 2.51636 GPRESSAVG: 1045400 -80.6028 -92.6831 -10.1663 -94.2542 92.6221 19.9937 -10.0098 20.798 2.66049 TIMING: 1045400 CPU: 3303.2, 0.00313905/step Wall: 3303.2, 0.00313905/step, 3.44825 hours remaining, 232.367188 MB of memory in use. ENERGY: 1045400 3902.0520 20477.3446 14531.4099 240.1849 -203661.7932 2896.9843 0.0000 0.0000 51927.6072 -109686.2104 298.4287 -161613.8175 -109323.3350 298.3206 -24.4285 2.0735 762131.3512 4.7531 4.8933 PRESSURE: 1045600 -76.6708 -50.7994 -168.153 -50.8001 -391.066 -132.501 -168.153 -132.501 -170.644 GPRESSURE: 1045600 -42.7679 7.94243 -42.4904 -91.3108 -315.868 -163.298 -266.632 -151.878 -179.051 PRESSAVG: 1045600 -47.0557 0.845532 -39.6292 0.845565 42.5596 23.9516 -39.6292 23.9515 -6.19684 GPRESSAVG: 1045600 -48.5616 -0.759748 -39.1322 -0.0672403 43.6568 25.1603 -37.6904 24.1629 -5.75064 TIMING: 1045600 CPU: 3303.83, 0.00315022/step Wall: 3303.83, 0.00315022/step, 3.46034 hours remaining, 232.367188 MB of memory in use. ENERGY: 1045600 3964.2573 20439.8497 14485.8744 223.0418 -203476.6373 2739.5025 0.0000 0.0000 52106.3402 -109517.7714 299.4559 -161624.1116 -109147.2990 298.4841 -212.7934 -179.2289 762749.0293 -3.5643 -3.5518 PRESSURE: 1045800 -273.018 159.728 206.996 159.727 -598.862 -27.1345 206.995 -27.135 -197.467 GPRESSURE: 1045800 -240.038 119.666 147.395 160.08 -577.065 -66.1995 190.6 125.413 -166.119 PRESSAVG: 1045800 -56.4456 -0.0063248 -16.2222 -0.00632576 46.2168 -43.6216 -16.2222 -43.6215 -13.1277 GPRESSAVG: 1045800 -56.6372 3.23697 -16.0739 0.883405 46.906 -42.9384 -19.5807 -43.2972 -13.8534 TIMING: 1045800 CPU: 3304.46, 0.00313655/step Wall: 3304.46, 0.00313655/step, 3.44515 hours remaining, 232.367188 MB of memory in use. ENERGY: 1045800 4044.7426 20527.9477 14509.0903 228.0704 -203144.5555 2746.3766 0.0000 0.0000 51614.9168 -109473.4111 296.6316 -161088.3279 -109125.1478 297.9431 -356.4492 -327.7410 763993.4585 -7.7855 -7.8615 PRESSURE: 1046000 -228.938 -63.2395 183.006 -63.2401 -255.936 -121.344 183.005 -121.345 -53.8184 GPRESSURE: 1046000 -152.596 -108.039 171.37 -22.4966 -230.338 -182.051 110.486 31.6148 -55.0575 PRESSAVG: 1046000 -25.7236 -25.7328 -19.47 -25.7328 -11.1643 9.57587 -19.47 9.57589 10.8988 GPRESSAVG: 1046000 -25.2596 -27.9773 -18.9855 -26.0097 -11.5475 9.87978 -19.4151 9.37165 11.3054 TIMING: 1046000 CPU: 3305.09, 0.00316151/step Wall: 3305.09, 0.00316151/step, 3.47239 hours remaining, 232.367188 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: 1046000 3921.7597 20451.3082 14478.3514 241.4856 -203138.1321 2627.2940 0.0000 0.0000 51919.5690 -109498.3643 298.3825 -161417.9333 -109126.4660 298.4011 -179.5640 -145.9970 764763.9412 -8.6630 -8.5006 PRESSURE: 1046200 -213.041 -11.4644 90.3813 -11.4644 360.711 31.1453 90.3808 31.1455 77.8706 GPRESSURE: 1046200 -164.795 -83.4426 61.0865 31.7795 386.926 34.983 72.0481 33.3373 82.2976 PRESSAVG: 1046200 -28.1492 15.1882 28.5125 15.1882 26.7488 10.5967 28.5125 10.5966 -4.78064 GPRESSAVG: 1046200 -27.3337 15.7161 28.6709 17.1523 25.1177 10.2076 29.7761 9.99475 -3.78893 TIMING: 1046200 CPU: 3305.72, 0.0031419/step Wall: 3305.72, 0.0031419/step, 3.45068 hours remaining, 232.367188 MB of memory in use. ENERGY: 1046200 3955.5607 20430.3418 14490.5416 245.9450 -203235.6435 2601.9825 0.0000 0.0000 52153.1151 -109358.1568 299.7247 -161511.2719 -108993.9705 298.6038 75.1804 101.4759 763866.9220 -2.0603 -2.0016 PRESSURE: 1046400 121.756 -96.2924 -163.337 -96.2923 17.2413 -98.5984 -163.337 -98.5975 484.822 GPRESSURE: 1046400 179.43 -113.275 -228.255 -26.0233 109.57 -30.39 -87.2998 -201.583 434.509 PRESSAVG: 1046400 -25.4743 15.1478 42.3555 15.1478 67.9708 56.4857 42.3556 56.4858 5.46996 GPRESSAVG: 1046400 -26.1124 15.8575 42.1798 12.4869 68.8237 54.994 40.9867 56.3034 5.25906 TIMING: 1046400 CPU: 3306.35, 0.00314177/step Wall: 3306.35, 0.00314177/step, 3.45036 hours remaining, 232.367188 MB of memory in use. ENERGY: 1046400 4030.2703 20524.9033 14477.6470 251.0582 -203492.6189 2948.1346 0.0000 0.0000 51773.3414 -109487.2641 297.5421 -161260.6055 -109124.2205 298.5538 207.9399 241.1695 763357.1266 15.9888 15.9901 PRESSURE: 1046600 333.722 213.418 -79.0647 213.418 -28.5256 73.1547 -79.0656 73.1554 -31.7741 GPRESSURE: 1046600 336.106 202.306 -62.2901 158.326 24.0399 41.8183 -64.5807 -8.34013 -9.23098 PRESSAVG: 1046600 -16.7913 -8.7336 32.4848 -8.73355 18.1217 31.1925 32.4849 31.1925 23.4498 GPRESSAVG: 1046600 -16.5944 -10.6362 31.9188 -6.83653 20.0901 31.3718 33.8133 30.4796 21.2779 TIMING: 1046600 CPU: 3306.98, 0.00315681/step Wall: 3306.98, 0.00315681/step, 3.4667 hours remaining, 232.367188 MB of memory in use. ENERGY: 1046600 4069.0296 20513.3245 14444.2816 247.1681 -203390.9802 2575.2393 0.0000 0.0000 52287.5874 -109254.3496 300.4975 -161541.9370 -108886.6910 298.8595 91.1408 116.9715 760880.9835 8.2601 8.2579 PRESSURE: 1046800 -388.351 -171.543 90.0262 -171.543 -84.1552 53.0983 90.0264 53.0983 170.718 GPRESSURE: 1046800 -346.351 -169.744 6.41791 -130.104 -39.8248 29.3097 128.872 119.588 172.102 PRESSAVG: 1046800 -3.432 38.4603 -15.0284 38.4602 -5.33055 19.4516 -15.0284 19.4516 -11.4907 GPRESSAVG: 1046800 -4.12104 38.5959 -15.9764 38.8778 -6.38286 21.8294 -15.3635 17.4454 -9.6521 TIMING: 1046800 CPU: 3307.61, 0.00316497/step Wall: 3307.61, 0.00316497/step, 3.47549 hours remaining, 232.367188 MB of memory in use. ENERGY: 1046800 4028.4317 20541.6221 14490.3744 265.5584 -203015.4940 2376.9199 0.0000 0.0000 52094.0313 -109218.5562 299.3851 -161312.5875 -108866.3386 299.4708 -100.5963 -71.3578 762839.6430 -6.7511 -6.7187 PRESSURE: 1047000 35.6483 -117.114 -102.862 -117.115 157.34 -24.6507 -102.861 -24.6514 -126.353 GPRESSURE: 1047000 47.4527 -133.96 -152.547 -196.625 238.662 70.5344 -79.8786 75.119 -131.883 PRESSAVG: 1047000 27.1105 -8.11617 68.1847 -8.11614 0.315116 15.2614 68.1847 15.2615 28.4145 GPRESSAVG: 1047000 28.0447 -6.61611 68.0891 -9.03104 0.358566 13.1274 68.7101 17.8935 27.3115 TIMING: 1047000 CPU: 3308.24, 0.00314067/step Wall: 3308.24, 0.00314067/step, 3.44863 hours remaining, 232.367188 MB of memory in use. ENERGY: 1047000 4038.6956 20546.9361 14535.2109 252.0721 -203263.0701 2737.3791 0.0000 0.0000 51820.7353 -109332.0411 297.8145 -161152.7764 -108974.2536 299.3567 22.2115 51.4103 763520.3468 18.6134 18.5716 PRESSURE: 1047200 -157.688 145.966 50.4252 145.966 -198.78 258.705 50.426 258.705 -356.628 GPRESSURE: 1047200 -112.555 186.932 5.33704 36.3657 -167.797 198.939 66.2873 267.684 -346.79 PRESSAVG: 1047200 -50.5377 -19.1112 -1.51037 -19.1111 45.9767 51.6076 -1.51041 51.6075 -16.1119 GPRESSAVG: 1047200 -51.1875 -20.7536 -0.831295 -20.2013 47.0621 52.7333 -2.85482 49.4767 -16.0799 TIMING: 1047200 CPU: 3308.87, 0.0031505/step Wall: 3308.87, 0.0031505/step, 3.45925 hours remaining, 232.367188 MB of memory in use. ENERGY: 1047200 3999.8333 20535.4838 14502.9955 242.4228 -203413.3661 2575.0313 0.0000 0.0000 52163.4541 -109394.1454 299.7841 -161557.5994 -109029.7411 299.0566 -237.6988 -209.0475 763262.6964 -6.8909 -6.7351 PRESSURE: 1047400 -134.839 -0.391298 -163.572 -0.391365 -64.901 -263.628 -163.573 -263.626 -165.477 GPRESSURE: 1047400 -63.5008 -25.4353 -179.974 -1.52868 -139.636 -203.286 -53.226 -251.053 -85.1217 PRESSAVG: 1047400 -45.5384 38.3818 -3.62772 38.3817 16.0947 56.7493 -3.62772 56.7493 14.382 GPRESSAVG: 1047400 -45.8918 38.8248 -2.81545 36.9172 17.169 57.662 -1.38517 57.9336 13.8782 TIMING: 1047400 CPU: 3309.5, 0.00315916/step Wall: 3309.5, 0.00315916/step, 3.46858 hours remaining, 232.367188 MB of memory in use. ENERGY: 1047400 4037.9006 20478.5316 14464.2237 241.8540 -203492.5652 2704.3667 0.0000 0.0000 52341.7116 -109223.9770 300.8085 -161565.6886 -108871.4914 299.1725 -121.7390 -96.0863 763816.3688 -5.0206 -4.9482 PRESSURE: 1047600 -186.308 250.584 8.21679 250.583 -63.9522 10.0052 8.2177 10.0047 -103.167 GPRESSURE: 1047600 -100.252 195.35 -22.6638 267.038 -49.5924 -37.1586 -60.4733 44.2067 -119.932 PRESSAVG: 1047600 54.2814 5.48562 -28.1096 5.48563 -0.328683 -58.1172 -28.1096 -58.1172 -27.491 GPRESSAVG: 1047600 54.4675 4.97624 -27.2363 7.10025 -2.44199 -58.8319 -31.9257 -60.1054 -25.8489 TIMING: 1047600 CPU: 3310.13, 0.00315921/step Wall: 3310.13, 0.00315921/step, 3.46846 hours remaining, 232.367188 MB of memory in use. ENERGY: 1047600 3964.7960 20530.6956 14592.9353 256.3219 -203234.8974 2909.8268 0.0000 0.0000 51878.4986 -109101.8232 298.1464 -160980.3218 -108737.2481 299.5178 -117.8091 -89.9253 765616.6711 8.8206 8.7256 PRESSURE: 1047800 120.635 56.4998 34.7861 56.4982 88.7723 -72.0357 34.7862 -72.0349 -179.471 GPRESSURE: 1047800 149.529 104.266 -27.7969 -4.38703 133.071 -86.2835 -51.8965 -72.1752 -163.047 PRESSAVG: 1047800 -54.0732 -11.5543 -18.6694 -11.5543 29.0851 -75.0047 -18.6694 -75.0047 -19.0174 GPRESSAVG: 1047800 -53.1763 -11.3133 -21.613 -13.7649 28.8798 -74.4636 -15.4215 -71.8157 -19.1545 TIMING: 1047800 CPU: 3310.77, 0.0031598/step Wall: 3310.77, 0.0031598/step, 3.46894 hours remaining, 232.367188 MB of memory in use. ENERGY: 1047800 3978.9828 20570.1978 14574.2570 248.9889 -203671.2120 3101.4860 0.0000 0.0000 52129.1125 -109068.1871 299.5867 -161197.2995 -108711.7333 299.9997 9.9787 39.8508 764443.6420 -14.6685 -14.4836 PRESSURE: 1048000 -21.7818 -87.4954 -154.784 -87.4952 314.622 0.400443 -154.784 0.400723 200.218 GPRESSURE: 1048000 106.967 -144.815 -274.96 -9.11033 296.053 21.4169 -120.934 42.4286 178.286 PRESSAVG: 1048000 -33.751 -5.44527 -43.8965 -5.44522 10.1089 -40.5942 -43.8965 -40.5942 -9.44617 GPRESSAVG: 1048000 -33.7816 -5.00288 -42.4692 -3.9504 10.7224 -42.8333 -44.5864 -40.2468 -9.75322 TIMING: 1048000 CPU: 3311.4, 0.00315578/step Wall: 3311.4, 0.00315578/step, 3.46434 hours remaining, 232.367188 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: 1048000 4055.0970 20629.9873 14553.9554 265.0096 -203554.7492 2920.1417 0.0000 0.0000 52148.7524 -108981.8059 299.6996 -161130.5583 -108631.2408 300.0560 164.3527 193.7687 763293.1784 -11.0294 -10.9375 PRESSURE: 1048200 -310.251 -71.1928 190.369 -71.1928 153.423 167.373 190.369 167.375 -60.2694 GPRESSURE: 1048200 -268.973 -30.1236 269.733 -17.9802 179.129 156.499 112.641 103.006 -49.0054 PRESSAVG: 1048200 -21.5867 4.04225 -46.2957 4.04223 -41.3192 -20.0999 -46.2956 -20.0998 -7.27023 GPRESSAVG: 1048200 -20.9331 2.49989 -45.4736 5.289 -41.9159 -17.483 -49.2781 -21.7002 -7.34054 TIMING: 1048200 CPU: 3312.03, 0.00315268/step Wall: 3312.03, 0.00315268/step, 3.46076 hours remaining, 232.367188 MB of memory in use. ENERGY: 1048200 3987.5007 20640.3623 14572.0377 272.4750 -203325.5157 2777.7126 0.0000 0.0000 52250.9337 -108824.4937 300.2868 -161075.4274 -108458.8882 300.1602 -72.3659 -46.2831 762896.7662 -23.3920 -23.3965 LDB: ============= START OF LOAD BALANCING ============== 3324.56 LDB: ============== END OF LOAD BALANCING =============== 3324.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3324.56 LDB: ============= START OF LOAD BALANCING ============== 3324.88 LDB: Largest compute 7053 load 0.030985 is 15.9% of average load 0.195294 LDB: Average compute 0.004390 is 2.2% of average load 0.195294 LDB: TIME 3324.88 LOAD: AVG 0.195294 MAX 0.21666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.672 MB LDB: TIME 3324.88 LOAD: AVG 0.195294 MAX 0.21666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: TIME 3324.88 LOAD: AVG 0.195294 MAX 0.21666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.875 MB LDB: ============== END OF LOAD BALANCING =============== 3324.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3324.89 PRESSURE: 1048400 -4.70529 80.3493 98.2491 80.3488 211.72 -59.2171 98.2482 -59.218 459.657 GPRESSURE: 1048400 130.462 158.173 119.73 99.6731 121.417 -44.7786 166.355 -20.5642 483.329 PRESSAVG: 1048400 -15.0008 7.203 -7.75521 7.20304 -6.6187 -16.4384 -7.75522 -16.4384 -7.5052 GPRESSAVG: 1048400 -14.4671 10.0745 -7.96085 5.9371 -6.26837 -16.571 -4.15371 -17.3175 -8.08214 TIMING: 1048400 CPU: 3312.67, 0.00323399/step Wall: 3312.67, 0.00323399/step, 3.54985 hours remaining, 233.136719 MB of memory in use. ENERGY: 1048400 3961.9530 20789.2805 14509.5348 250.6256 -203255.8094 2795.0767 0.0000 0.0000 51957.5614 -108991.7774 298.6008 -160949.3389 -108625.7124 299.8778 222.2237 245.0694 762567.2439 -9.7082 -9.6059 PRESSURE: 1048600 327.573 219.852 -17.9887 219.853 98.4809 108.849 -17.9876 108.849 204.275 GPRESSURE: 1048600 366.115 284.488 -18.6064 181.307 122.213 97.9313 -89.3832 81.5677 214.887 PRESSAVG: 1048600 -10.1947 16.4581 -15.211 16.4582 -19.5974 6.34753 -15.211 6.34745 -5.07792 GPRESSAVG: 1048600 -11.2066 13.5679 -14.0703 15.576 -18.7762 6.61072 -15.6875 9.62608 -4.92289 TIMING: 1048600 CPU: 3313.3, 0.00315146/step Wall: 3313.3, 0.00315146/step, 3.45908 hours remaining, 233.136719 MB of memory in use. ENERGY: 1048600 3982.1959 20737.4703 14469.1552 269.2567 -202961.3397 2548.2190 0.0000 0.0000 52034.8227 -108920.2199 299.0448 -160955.0426 -108555.1333 300.0302 210.1097 234.4051 763366.9984 -11.6233 -11.6352 PRESSURE: 1048800 -372.011 257.483 63.0588 257.483 -557.085 -72.2402 63.0585 -72.2402 -166.899 GPRESSURE: 1048800 -356.526 297.863 48.7332 307.107 -549.458 -115.687 97.9452 -90.0123 -87.0051 PRESSAVG: 1048800 -3.14122 12.0064 30.746 12.0064 -20.3561 -0.567675 30.7459 -0.567667 9.36691 GPRESSAVG: 1048800 -2.60334 13.66 29.4145 13.1722 -22.064 -3.06857 32.2008 -3.16582 11.0545 TIMING: 1048800 CPU: 3313.94, 0.00315474/step Wall: 3313.94, 0.00315474/step, 3.4625 hours remaining, 233.136719 MB of memory in use. ENERGY: 1048800 4051.9082 20655.3337 14470.3065 230.0104 -202954.7985 2383.5009 0.0000 0.0000 52171.8001 -108991.9387 299.8321 -161163.7388 -108629.2125 299.7185 -365.3313 -330.9964 764923.0891 -4.7101 -4.5376 PRESSURE: 1049000 -2.85727 133.648 147.811 133.649 -245.517 36.0189 147.812 36.0185 -111.481 GPRESSURE: 1049000 -53.2627 51.7552 102.491 120.033 -103.929 37.3231 117.555 44.911 -108.009 PRESSAVG: 1049000 -12.9348 9.87985 47.6605 9.87984 48.8915 2.57562 47.6605 2.57565 -15.5644 GPRESSAVG: 1049000 -13.5722 8.76637 47.7891 10.9662 50.4355 4.73079 45.5804 2.20896 -16.3928 TIMING: 1049000 CPU: 3314.57, 0.00317619/step Wall: 3314.57, 0.00317619/step, 3.48586 hours remaining, 233.136719 MB of memory in use. ENERGY: 1049000 3952.3960 20536.0370 14523.0444 223.4010 -202984.8161 2451.9655 0.0000 0.0000 52209.6447 -109088.3275 300.0495 -161297.9722 -108723.7723 299.9691 -119.9519 -88.4002 763638.8041 6.7974 6.8235 PRESSURE: 1049200 -508.077 -341.947 135.941 -341.948 -295.317 -127.385 135.942 -127.384 143.177 GPRESSURE: 1049200 -419.666 -433.414 235.163 -266.374 -254.638 -245.168 117.144 -98.0465 95.5306 PRESSAVG: 1049200 -31.4087 -11.3626 14.6071 -11.3626 -2.06801 31.5581 14.6071 31.5581 0.0814804 GPRESSAVG: 1049200 -30.5932 -12.591 14.7762 -13.8065 -2.87119 29.4781 14.7032 33.411 0.119175 TIMING: 1049200 CPU: 3315.2, 0.00315656/step Wall: 3315.2, 0.00315656/step, 3.46415 hours remaining, 233.136719 MB of memory in use. ENERGY: 1049200 3990.8091 20435.5846 14512.3550 229.4909 -202970.1869 2369.2760 0.0000 0.0000 52196.0677 -109236.6037 299.9715 -161432.6714 -108874.5930 299.1639 -220.0722 -192.9247 762917.1905 -11.1318 -11.1151 PRESSURE: 1049400 240.607 241.702 162.273 241.702 298.338 -13.2959 162.273 -13.2956 46.3008 GPRESSURE: 1049400 290.176 64.0428 143.899 124.835 287.349 33.6072 147.158 64.6955 86.4713 PRESSAVG: 1049400 -35.1604 -12.5107 0.692914 -12.5107 63.7267 5.17226 0.69295 5.17233 33.1469 GPRESSAVG: 1049400 -35.5822 -9.01305 0.166352 -12.9646 64.1209 8.05093 -0.199945 3.13765 33.1525 TIMING: 1049400 CPU: 3315.83, 0.00315342/step Wall: 3315.83, 0.00315342/step, 3.46053 hours remaining, 233.136719 MB of memory in use. ENERGY: 1049400 3999.1951 20802.8425 14510.5619 239.0377 -203554.7957 2857.3600 0.0000 0.0000 51921.1820 -109224.6164 298.3917 -161145.7984 -108875.5750 299.5085 195.0820 221.3321 761946.1927 20.5711 20.5637 PRESSURE: 1049600 -245.234 -7.46467 94.9829 -7.46483 -138.951 176.271 94.9831 176.272 482.309 GPRESSURE: 1049600 -245.691 -41.424 171.917 -4.72033 -23.0066 231.412 58.8729 95.2338 442.904 PRESSAVG: 1049600 -77.6136 -8.07641 4.93659 -8.07647 49.4173 22.0985 4.93657 22.0984 1.38043 GPRESSAVG: 1049600 -77.8718 -10.8833 5.83125 -7.21368 49.8693 21.2292 5.79118 21.6828 0.808153 TIMING: 1049600 CPU: 3316.46, 0.00312933/step Wall: 3316.46, 0.00312933/step, 3.43391 hours remaining, 233.136719 MB of memory in use. ENERGY: 1049600 3971.6990 20450.2581 14492.0842 241.2084 -203444.5673 2882.0614 0.0000 0.0000 52211.0372 -109196.2190 300.0575 -161407.2562 -108827.7532 299.3722 32.7081 58.0688 762845.9397 -8.9386 -9.0648 PRESSURE: 1049800 -110.849 -98.8776 2.187 -98.8777 -130.954 -106.929 2.1873 -106.928 -219.894 GPRESSURE: 1049800 -120.855 -12.3108 46.6002 -137.752 -76.7582 -116.735 129.057 -128.74 -186.838 PRESSAVG: 1049800 -11.5804 -48.747 -14.6954 -48.747 43.0278 -3.23655 -14.6954 -3.23656 27.1405 GPRESSAVG: 1049800 -12.4819 -49.4024 -15.1964 -47.9591 41.587 -3.34517 -13.2972 -2.94551 29.3071 TIMING: 1049800 CPU: 3317.09, 0.00314186/step Wall: 3317.09, 0.00314186/step, 3.44749 hours remaining, 233.136719 MB of memory in use. ENERGY: 1049800 3983.6586 20757.5620 14542.3633 240.7214 -203639.0680 2674.4095 0.0000 0.0000 52083.6270 -109356.7263 299.3253 -161440.3533 -109003.5289 299.3730 -153.8988 -128.1502 759044.1420 19.5293 19.4707 PRESSURE: 1050000 -253.476 -157.823 25.8752 -157.822 -45.5314 -122.792 25.8754 -122.792 98.6219 GPRESSURE: 1050000 -240.676 -216.133 -26.6354 -201.046 -1.05487 -63.6534 45.7104 -166.309 131.481 PRESSAVG: 1050000 -72.0365 -17.3073 20.8595 -17.3073 80.1769 -52.0859 20.8594 -52.0859 -22.0757 GPRESSAVG: 1050000 -71.3917 -16.207 21.6741 -16.6051 80.2343 -50.4242 18.8097 -51.0207 -23.298 TIMING: 1050000 CPU: 3317.71, 0.00313802/step Wall: 3317.71, 0.00313802/step, 3.4431 hours remaining, 233.136719 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: 1050000 4004.4870 20601.1578 14447.9188 230.9157 -203480.9510 2692.5344 0.0000 0.0000 51959.7858 -109544.1515 298.6136 -161503.9373 -109179.2384 299.1018 -66.7952 -36.7500 761368.7961 -4.6451 -4.8185 PRESSURE: 1050200 -253.528 -180.642 11.8953 -180.641 -116.438 -193.616 11.8965 -193.616 39.4161 GPRESSURE: 1050200 -222.066 -185.876 -11.7893 -139.471 -119.864 -80.4057 17.2504 -275.712 100.026 PRESSAVG: 1050200 -77.7924 -13.1505 25.1792 -13.1505 61.6441 16.6399 25.1792 16.6399 3.15602 GPRESSAVG: 1050200 -77.8333 -14.4128 25.1042 -11.2483 61.7387 16.2811 24.799 15.7996 3.76295 TIMING: 1050200 CPU: 3318.34, 0.00313166/step Wall: 3318.34, 0.00313166/step, 3.43596 hours remaining, 233.136719 MB of memory in use. ENERGY: 1050200 3983.1808 20525.2496 14450.8399 249.3325 -203296.9025 2512.5645 0.0000 0.0000 51956.9434 -109618.7918 298.5973 -161575.7352 -109265.1695 298.9063 -110.1832 -80.6348 762617.2813 -4.3308 -4.1105 PRESSURE: 1050400 -254.984 -61.8949 -27.0646 -61.8948 -146.113 135.581 -27.0656 135.581 112.271 GPRESSURE: 1050400 -168.725 -50.106 -23.5465 10.2297 -182.08 139.439 -72.9131 102.888 159.08 PRESSAVG: 1050400 -9.09536 -44.5162 12.7814 -44.5162 -6.73792 -14.0933 12.7814 -14.0933 8.31326 GPRESSAVG: 1050400 -8.46073 -42.8093 12.4692 -45.5817 -6.1008 -15.9442 14.3182 -14.7474 7.04149 TIMING: 1050400 CPU: 3318.97, 0.00312849/step Wall: 3318.97, 0.00312849/step, 3.4323 hours remaining, 233.136719 MB of memory in use. ENERGY: 1050400 4043.8230 20509.0246 14523.6326 253.4045 -203738.2603 2978.3808 0.0000 0.0000 52003.0679 -109426.9270 298.8623 -161429.9948 -109064.6204 298.9082 -96.2752 -63.9082 763482.1730 -2.5067 -2.5067 PRESSURE: 1050600 -174.284 -67.437 -23.2549 -67.4375 -486.72 44.4198 -23.2546 44.4212 -264.887 GPRESSURE: 1050600 -102.115 -86.8581 -2.44993 -63.7219 -466.209 46.4466 -96.2404 72.4256 -267.535 PRESSAVG: 1050600 26.5399 23.2038 -42.0358 23.2037 -14.5153 19.0542 -42.0358 19.0542 15.5184 GPRESSAVG: 1050600 26.7342 21.1076 -41.4334 23.5314 -13.9214 19.3434 -43.6564 20.7192 14.9733 TIMING: 1050600 CPU: 3319.6, 0.00314925/step Wall: 3319.6, 0.00314925/step, 3.4549 hours remaining, 233.136719 MB of memory in use. ENERGY: 1050600 3988.8291 20581.8134 14509.6199 252.2438 -202959.8953 2354.4067 0.0000 0.0000 51977.5142 -109295.4682 298.7155 -161272.9824 -108927.5391 299.2309 -308.6302 -278.6198 764617.4797 9.1810 9.2620 PRESSURE: 1050800 -311.591 274.661 71.3132 274.662 -185.207 -1.27662 71.3131 -1.27619 -169.768 GPRESSURE: 1050800 -258.999 126.497 81.1183 170.67 -180.103 69.9371 99.7103 49.8882 -125.782 PRESSAVG: 1050800 -26.0981 24.2182 53.5955 24.2182 -13.4056 28.6016 53.5955 28.6016 -3.37154 GPRESSAVG: 1050800 -25.2518 27.2358 52.9505 20.9492 -14.1505 29.7171 53.9037 27.246 -3.23284 TIMING: 1050800 CPU: 3320.23, 0.0031504/step Wall: 3320.23, 0.0031504/step, 3.45598 hours remaining, 233.136719 MB of memory in use. ENERGY: 1050800 4021.1242 20431.1669 14489.4201 255.2205 -203399.1153 2589.9398 0.0000 0.0000 52119.0916 -109493.1523 299.5291 -161612.2439 -109134.9919 299.3561 -222.1886 -188.2944 763290.2753 -14.2917 -14.2117 PRESSURE: 1051000 -205.976 164.475 136.896 164.475 -122.859 274.605 136.896 274.605 -171.271 GPRESSURE: 1051000 -155.875 30.859 144.702 162.575 -15.0776 266.866 -12.8141 274.727 -235.675 PRESSAVG: 1051000 -52.3835 -8.60499 -9.17469 -8.60492 0.865063 19.5774 -9.17471 19.5774 1.57331 GPRESSAVG: 1051000 -53.7012 -9.91465 -7.81125 -7.28771 1.52752 18.345 -9.46258 18.7907 2.26084 TIMING: 1051000 CPU: 3320.86, 0.003148/step Wall: 3320.86, 0.003148/step, 3.45318 hours remaining, 233.136719 MB of memory in use. ENERGY: 1051000 4017.9621 20609.1097 14490.8354 255.2615 -203583.6198 2760.2914 0.0000 0.0000 51824.8038 -109625.3558 297.8379 -161450.1596 -109272.0614 298.8091 -166.7022 -135.5422 761825.2816 -16.6484 -16.6376 PRESSURE: 1051200 120.69 170.404 -7.91312 170.405 103.719 219.526 -7.91339 219.525 116.751 GPRESSURE: 1051200 193.127 91.1693 96.538 116.461 106.445 270.572 -130.537 213.661 139.064 PRESSAVG: 1051200 -55.2902 -18.9729 5.08432 -18.9729 53.9433 19.1841 5.08427 19.1841 10.28 GPRESSAVG: 1051200 -53.9109 -19.5126 3.23207 -15.9875 53.057 20.8986 5.53407 19.8125 9.73486 TIMING: 1051200 CPU: 3321.48, 0.00312969/step Wall: 3321.48, 0.00312969/step, 3.43292 hours remaining, 233.136719 MB of memory in use. ENERGY: 1051200 4017.2030 20395.2470 14488.5964 258.8616 -203680.2685 2696.1246 0.0000 0.0000 52155.6787 -109668.5573 299.7394 -161824.2360 -109292.6107 298.7781 113.7203 146.2120 760768.8839 2.9777 2.9603 PRESSURE: 1051400 -495.563 -65.281 -50.6249 -65.2808 -153.045 -75.7291 -50.6255 -75.7289 164.285 GPRESSURE: 1051400 -389.394 84.178 -50.9972 -125.537 -130.923 28.495 -104.092 -319.708 102.965 PRESSAVG: 1051400 -44.634 -36.0919 23.7268 -36.0918 28.8657 11.655 23.7268 11.655 13.6247 GPRESSAVG: 1051400 -46.6698 -34.655 23.4577 -38.1537 29.8414 11.6566 23.2046 11.1645 14.5076 TIMING: 1051400 CPU: 3322.11, 0.00313364/step Wall: 3322.11, 0.00313364/step, 3.43708 hours remaining, 233.136719 MB of memory in use. ENERGY: 1051400 4040.4277 20539.6068 14415.5668 240.9267 -203238.5069 2542.4865 0.0000 0.0000 52158.6325 -109300.8601 299.7564 -161459.4925 -108929.7400 298.8850 -161.4409 -139.1175 764665.5705 -0.7145 -0.7736 PRESSURE: 1051600 91.2341 -28.4228 116.6 -28.4231 -257.484 -66.985 116.6 -66.9852 -141.13 GPRESSURE: 1051600 150.698 9.49226 114.209 7.98572 -233.277 -107.171 39.1264 154.126 -154.508 PRESSAVG: 1051600 5.85348 -14.139 -30.1556 -14.139 -61.3296 53.454 -30.1556 53.4539 -12.35 GPRESSAVG: 1051600 7.37336 -13.6472 -30.5506 -12.9288 -62.6868 52.273 -28.3658 55.3867 -12.2859 TIMING: 1051600 CPU: 3322.73, 0.00312921/step Wall: 3322.73, 0.00312921/step, 3.43205 hours remaining, 233.136719 MB of memory in use. ENERGY: 1051600 3976.2431 20527.6102 14398.9133 236.8419 -203376.1708 2715.7406 0.0000 0.0000 52319.2802 -109201.5416 300.6796 -161520.8218 -108826.1864 299.7250 -102.4599 -79.0289 763391.5187 -22.6087 -22.5331 PRESSURE: 1051800 -25.4184 -34.9168 8.10173 -34.9177 57.5952 -23.5681 8.10268 -23.569 30.1718 GPRESSURE: 1051800 -91.5248 -103.772 66.5895 -27.324 139.496 -126.116 -64.7 -37.8048 95.2909 PRESSAVG: 1051800 7.50607 13.3365 -13.4951 13.3365 7.85648 -40.763 -13.4951 -40.763 6.69674 GPRESSAVG: 1051800 6.19013 9.56404 -12.2097 15.4987 8.42233 -39.9254 -14.5414 -41.9542 8.12811 TIMING: 1051800 CPU: 3323.36, 0.00312684/step Wall: 3323.36, 0.00312684/step, 3.42928 hours remaining, 233.136719 MB of memory in use. ENERGY: 1051800 4022.2038 20468.9653 14444.5489 253.3416 -203449.3636 2899.2197 0.0000 0.0000 52162.2623 -109198.8221 299.7772 -161361.0844 -108841.2105 299.4087 20.7829 47.7540 762039.7499 7.3531 7.5802 PRESSURE: 1052000 231.094 -138.096 -228.681 -138.097 -192.22 -6.1561 -228.681 -6.15681 53.8336 GPRESSURE: 1052000 222.655 -118.34 -94.976 17.3954 -129.095 86.9604 -118.726 78.8714 81.8537 PRESSAVG: 1052000 7.09605 18.4186 14.3633 18.4186 -9.83308 -8.64276 14.3633 -8.64272 6.04437 GPRESSAVG: 1052000 8.2077 21.3792 13.4387 16.4857 -9.65655 -8.58258 12.4188 -5.44439 4.86652 TIMING: 1052000 CPU: 3323.99, 0.00314276/step Wall: 3323.99, 0.00314276/step, 3.44656 hours remaining, 233.136719 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: 1052000 4004.0295 20508.8848 14438.2702 246.1701 -203336.8652 2786.1542 0.0000 0.0000 52051.1836 -109302.1729 299.1389 -161353.3564 -108942.3304 299.5558 30.9024 58.4712 761483.9389 1.1024 1.1392 PRESSURE: 1052200 -244.073 22.7374 -196.144 22.7373 53.552 50.4292 -196.145 50.4301 -59.2287 GPRESSURE: 1052200 -186.323 18.5587 -190.973 -39.1485 124.233 104.906 -164.64 119.828 -104.698 PRESSAVG: 1052200 11.0031 11.6836 -5.68775 11.6836 12.8423 41.2545 -5.68772 41.2544 15.1222 GPRESSAVG: 1052200 11.0207 11.4528 -5.11813 9.38481 12.4737 42.0358 -2.54878 38.3947 14.99 TIMING: 1052200 CPU: 3324.62, 0.00314792/step Wall: 3324.62, 0.00314792/step, 3.45205 hours remaining, 233.136719 MB of memory in use. ENERGY: 1052200 3939.1250 20491.8542 14463.0878 246.5048 -203485.7954 2802.1067 0.0000 0.0000 52089.1183 -109453.9986 299.3569 -161543.1169 -109086.6299 298.9975 -83.2498 -55.5959 762154.2571 12.9892 12.8281 LDB: ============= START OF LOAD BALANCING ============== 3337.15 LDB: ============== END OF LOAD BALANCING =============== 3337.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3337.15 LDB: ============= START OF LOAD BALANCING ============== 3337.47 LDB: Largest compute 7042 load 0.031643 is 16.2% of average load 0.195331 LDB: Average compute 0.004401 is 2.3% of average load 0.195331 LDB: TIME 3337.47 LOAD: AVG 0.195331 MAX 0.214672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.367 MB LDB: TIME 3337.47 LOAD: AVG 0.195331 MAX 0.214672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.367 MB LDB: TIME 3337.47 LOAD: AVG 0.195331 MAX 0.214672 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.367 MB LDB: ============== END OF LOAD BALANCING =============== 3337.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3337.48 PRESSURE: 1052400 73.4726 75.2251 -79.101 75.2248 84.8813 217.681 -79.101 217.681 -162.027 GPRESSURE: 1052400 50.463 58.2987 -87.5306 18.2625 130.676 292.615 -123.836 250.186 -111.415 PRESSAVG: 1052400 49.9982 -18.8782 -9.67333 -18.8782 -7.75059 -30.7017 -9.67331 -30.7017 -6.64715 GPRESSAVG: 1052400 49.1457 -20.038 -11.0696 -16.9043 -7.17202 -31.5176 -9.88724 -30.4903 -6.7341 TIMING: 1052400 CPU: 3325.26, 0.00322495/step Wall: 3325.26, 0.00322495/step, 3.53634 hours remaining, 233.902344 MB of memory in use. ENERGY: 1052400 3962.0873 20619.4365 14415.9465 241.2195 -203301.9710 2506.0606 0.0000 0.0000 52006.3675 -109550.8530 298.8813 -161557.2206 -109187.1112 298.8304 -1.2243 23.2416 760517.0180 11.8668 11.7465 PRESSURE: 1052600 -66.0056 166.422 45.8166 166.423 196.485 55.744 45.8166 55.7443 -6.37764 GPRESSURE: 1052600 -39.7516 160.056 -18.5362 60.2294 261.634 22.9508 108.247 59.2554 -25.2364 PRESSAVG: 1052600 15.353 5.30558 2.58056 5.30553 30.9261 38.6406 2.58059 38.6406 -4.9807 GPRESSAVG: 1052600 16.2077 6.49375 5.84945 3.01693 29.9809 37.8669 0.40568 38.0051 -5.06107 TIMING: 1052600 CPU: 3325.89, 0.00314518/step Wall: 3325.89, 0.00314518/step, 3.44869 hours remaining, 234.105469 MB of memory in use. ENERGY: 1052600 4022.7909 20583.9920 14470.7852 244.1902 -203480.0453 2690.1689 0.0000 0.0000 51907.6930 -109560.4251 298.3142 -161468.1181 -109196.4428 298.4604 41.3672 65.5487 763348.9040 13.7661 13.7092 PRESSURE: 1052800 -137.865 54.9779 -357.545 54.9789 263.714 1.04074 -357.545 1.03995 -87.2295 GPRESSURE: 1052800 -102.447 148.186 -283.938 53.2855 226.239 -52.9742 -478.349 -52.9337 -14.6784 PRESSAVG: 1052800 -25.1194 17.1566 -38.6658 17.1566 5.63245 20.2218 -38.6658 20.2217 0.0201692 GPRESSAVG: 1052800 -26.1232 16.5281 -41.2321 19.9895 6.65603 20.3934 -35.0583 21.3276 -0.180935 TIMING: 1052800 CPU: 3326.52, 0.0031652/step Wall: 3326.52, 0.0031652/step, 3.47047 hours remaining, 234.105469 MB of memory in use. ENERGY: 1052800 3966.7490 20601.8150 14468.8482 222.9180 -203717.8047 2831.3973 0.0000 0.0000 52073.5503 -109552.5268 299.2674 -161626.0772 -109188.5164 298.4143 12.8730 36.3712 762734.3453 -6.4889 -6.5494 PRESSURE: 1053000 499.266 97.1379 21.1941 97.1374 278.158 154.153 21.1946 154.154 422.93 GPRESSURE: 1053000 399.371 23.7849 152.882 -21.3077 333.71 101.018 -49.6032 -42.4818 555.996 PRESSAVG: 1053000 -37.1185 22.4313 -0.118335 22.4314 29.6289 36.0183 -0.118382 36.0183 -7.28922 GPRESSAVG: 1053000 -35.8013 21.9127 -0.0803859 21.7258 29.1941 38.2585 -3.81181 33.3331 -7.95425 TIMING: 1053000 CPU: 3327.16, 0.00315393/step Wall: 3327.16, 0.00315392/step, 3.45793 hours remaining, 234.105469 MB of memory in use. ENERGY: 1053000 3945.8387 20627.8055 14406.1676 267.3936 -203968.4788 3082.4611 0.0000 0.0000 51992.3112 -109646.5010 298.8005 -161638.8122 -109287.1618 298.5844 400.1181 429.6924 760368.6304 -4.9263 -4.8538 PRESSURE: 1053200 -54.1988 140.389 59.3581 140.389 36.1489 80.8553 59.358 80.8544 -355.56 GPRESSURE: 1053200 -47.5549 208.777 114.473 93.61 97.3783 88.7521 -17.6157 15.4961 -334.024 PRESSAVG: 1053200 37.0368 57.1721 28.0322 57.1721 -8.22085 7.7614 28.0322 7.76131 -16.5685 GPRESSAVG: 1053200 36.1163 57.2542 28.1434 55.8936 -8.10166 7.67597 28.503 8.88185 -15.8828 TIMING: 1053200 CPU: 3327.78, 0.00314522/step Wall: 3327.78, 0.00314522/step, 3.44821 hours remaining, 234.105469 MB of memory in use. ENERGY: 1053200 3936.7259 20319.2393 14438.3473 260.9087 -203240.8091 2718.7602 0.0000 0.0000 52144.7355 -109422.0923 299.6765 -161566.8278 -109053.2872 298.4603 -124.5366 -94.7337 761320.2526 4.0825 4.0440 PRESSURE: 1053400 -45.669 158.594 -72.4813 158.593 158.511 154.991 -72.4816 154.99 171.981 GPRESSURE: 1053400 1.26597 119.639 -91.022 258.98 292.112 136.661 -4.43701 105.83 91.9336 PRESSAVG: 1053400 -25.605 45.4519 39.4863 45.4518 -8.45384 47.8166 39.4864 47.8166 -13.0369 GPRESSAVG: 1053400 -25.5052 45.2156 40.7204 46.1994 -7.78681 46.8131 40.3397 47.7345 -13.6692 TIMING: 1053400 CPU: 3328.41, 0.00313265/step Wall: 3328.41, 0.00313265/step, 3.43426 hours remaining, 234.105469 MB of memory in use. ENERGY: 1053400 3977.2902 20449.2869 14408.3164 225.2344 -203751.0115 3167.2649 0.0000 0.0000 52143.5589 -109380.0598 299.6697 -161523.6187 -109019.9899 299.0123 94.9411 128.4372 761660.5832 -15.6986 -15.6538 PRESSURE: 1053600 -290.607 66.4151 11.411 66.4155 -245.504 113.908 11.4106 113.908 -237.558 GPRESSURE: 1053600 -319.105 193.329 54.4903 65.4693 -185.794 79.4149 -82.8828 79.4344 -168.2 PRESSAVG: 1053600 -21.2256 37.3601 6.34218 37.3601 -11.7892 29.841 6.34217 29.8409 1.00672 GPRESSAVG: 1053600 -21.4123 39.3721 6.47102 36.394 -11.3205 31.2615 5.39817 31.0943 0.969047 TIMING: 1053600 CPU: 3329.04, 0.00315723/step Wall: 3329.04, 0.00315723/step, 3.46102 hours remaining, 234.105469 MB of memory in use. ENERGY: 1053600 3970.6053 20511.5296 14449.8462 270.8273 -203102.7042 2424.5027 0.0000 0.0000 52214.2591 -109261.1340 300.0761 -161475.3931 -108896.2010 299.3462 -257.8899 -224.3663 762489.6232 -10.6694 -10.5879 PRESSURE: 1053800 -59.5602 83.9755 -125.743 83.9754 -42.3073 -26.873 -125.744 -26.8722 41.7189 GPRESSURE: 1053800 5.65105 -89.2823 -120.01 8.3087 -3.00201 -20.4104 -49.0209 37.4866 23.1395 PRESSAVG: 1053800 -21.3032 -3.92191 -11.8123 -3.92198 -15.0042 25.2112 -11.8123 25.2113 -12.9336 GPRESSAVG: 1053800 -21.6359 -7.72738 -12.6217 -2.95657 -15.5212 25.8391 -10.7409 23.5503 -11.9919 TIMING: 1053800 CPU: 3329.67, 0.00313798/step Wall: 3329.67, 0.00313798/step, 3.43975 hours remaining, 234.105469 MB of memory in use. ENERGY: 1053800 3956.4411 20601.7805 14458.1133 258.7497 -202999.1235 2475.5205 0.0000 0.0000 52181.1091 -109067.4093 299.8856 -161248.5183 -108703.4447 299.4425 -20.0495 8.5962 762769.1601 -16.4137 -16.3830 PRESSURE: 1054000 -11.8956 58.8634 55.6844 58.8622 -69.2418 -65.2592 55.6842 -65.2594 689.378 GPRESSURE: 1054000 95.4482 100.87 -55.7205 117.407 -42.3642 26.4684 91.5725 48.9026 642.6 PRESSAVG: 1054000 -33.2832 -36.0761 22.802 -36.0761 4.02441 18.4473 22.802 18.4472 10.5662 GPRESSAVG: 1054000 -33.3194 -32.7757 22.3433 -37.2798 4.91281 14.7499 23.5437 20.4289 9.60641 TIMING: 1054000 CPU: 3330.3, 0.00313818/step Wall: 3330.3, 0.00313818/step, 3.4398 hours remaining, 234.105469 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: 1054000 3955.5296 20529.5903 14491.9303 228.1205 -203242.9643 2889.4725 0.0000 0.0000 51980.9204 -109167.4006 298.7351 -161148.3210 -108800.9252 299.4869 202.7468 231.8946 762501.3242 -6.2309 -6.2667 PRESSURE: 1054200 -111.254 -6.91529 -110.534 -6.91571 504.399 36.846 -110.533 36.8454 144.579 GPRESSURE: 1054200 -94.6065 9.87516 -99.8624 -91.8973 586.911 14.8002 41.9671 47.4461 130.246 PRESSAVG: 1054200 -46.91 -44.5494 -0.978454 -44.5494 86.087 -5.73668 -0.978449 -5.73675 0.109821 GPRESSAVG: 1054200 -45.8891 -45.9738 -1.27349 -44.2735 84.1184 -4.49876 -1.10521 -5.27181 0.927547 TIMING: 1054200 CPU: 3330.93, 0.0031539/step Wall: 3330.93, 0.0031539/step, 3.45685 hours remaining, 234.105469 MB of memory in use. ENERGY: 1054200 3910.9966 20475.6700 14451.0936 233.4062 -203546.6787 3046.3763 0.0000 0.0000 52234.9902 -109194.1459 300.1952 -161429.1361 -108831.5508 299.4119 179.2415 207.5171 761897.9514 13.0956 13.0523 PRESSURE: 1054400 -269.315 -191.552 -179.39 -191.552 -90.5896 -66.9734 -179.389 -66.9733 -337.689 GPRESSURE: 1054400 -242.678 -153.892 -200.355 -77.7809 -61.6407 54.4173 -176.245 -159.47 -294.264 PRESSAVG: 1054400 -77.3214 -13.4268 -15.2185 -13.4268 85.9778 22.354 -15.2185 22.354 -22.6823 GPRESSAVG: 1054400 -77.3566 -12.9967 -15.9826 -11.7257 85.4748 21.6009 -15.5618 21.6123 -21.5488 TIMING: 1054400 CPU: 3331.56, 0.00314616/step Wall: 3331.56, 0.00314616/step, 3.4482 hours remaining, 234.105469 MB of memory in use. ENERGY: 1054400 4051.0495 20421.5840 14503.8829 235.0877 -203289.6572 2598.7915 0.0000 0.0000 52281.8209 -109197.4408 300.4643 -161479.2617 -108829.9919 299.2503 -232.5311 -199.5275 763469.2383 -4.6753 -4.4769 PRESSURE: 1054600 61.2154 -124.214 -147.271 -124.214 502.485 -149.824 -147.27 -149.823 115.082 GPRESSURE: 1054600 133.089 -154.701 -147.511 -39.0194 486.776 -151.747 -211.622 -238.574 114.648 PRESSAVG: 1054600 11.7773 -50.8938 -22.8906 -50.8938 10.2988 28.1667 -22.8906 28.1668 -12.8129 GPRESSAVG: 1054600 10.4856 -49.798 -23.3092 -52.2557 11.6172 28.2385 -21.8318 28.6563 -12.8825 TIMING: 1054600 CPU: 3332.19, 0.00314469/step Wall: 3332.19, 0.00314469/step, 3.4464 hours remaining, 234.105469 MB of memory in use. ENERGY: 1054600 3976.0895 20536.4974 14475.5156 270.0628 -203273.8586 2813.1659 0.0000 0.0000 52084.6255 -109117.9019 299.3311 -161202.5274 -108764.3391 299.9981 226.2606 244.8378 763232.5525 3.0877 3.0734 PRESSURE: 1054800 -386.302 -141.144 -66.1425 -141.143 -253.423 -21.2953 -66.1422 -21.2962 102.938 GPRESSURE: 1054800 -329.26 -191.108 -8.3985 -99.448 -269.869 38.1361 3.22312 -57.7427 150.3 PRESSAVG: 1054800 17.8625 -23.4181 3.03705 -23.4181 -0.359281 37.4349 3.03701 37.4349 -1.61079 GPRESSAVG: 1054800 18.2553 -24.0066 4.0331 -23.1234 -1.17823 37.5357 1.54912 39.3849 -1.15135 TIMING: 1054800 CPU: 3332.82, 0.00314956/step Wall: 3332.82, 0.00314956/step, 3.45157 hours remaining, 234.105469 MB of memory in use. ENERGY: 1054800 4012.3776 20440.4452 14519.9524 270.7497 -203242.4122 2630.0164 0.0000 0.0000 52235.3698 -109133.5010 300.1974 -161368.8708 -108762.8401 299.5493 -178.9291 -149.6097 763078.1317 5.2975 5.3086 PRESSURE: 1055000 165.312 -29.0955 -250.434 -29.0959 -33.9947 216.551 -250.434 216.552 183.985 GPRESSURE: 1055000 209.795 14.1563 -363.33 4.38293 -65.156 168.659 -161.712 224.712 260.575 PRESSAVG: 1055000 -6.07299 -4.91569 -26.2762 -4.91578 -28.5417 65.5514 -26.2762 65.5514 -0.699751 GPRESSAVG: 1055000 -6.17735 -5.0676 -24.6249 -5.34893 -28.6966 67.561 -26.7731 63.7355 -0.742746 TIMING: 1055000 CPU: 3333.45, 0.00314064/step Wall: 3333.45, 0.00314064/step, 3.44162 hours remaining, 234.105469 MB of memory in use. ENERGY: 1055000 3963.4642 20588.2430 14486.4920 254.0376 -203628.2394 2943.8564 0.0000 0.0000 52206.7291 -109185.4171 300.0328 -161392.1462 -108832.5901 299.7902 105.1008 135.0711 762623.6495 -11.7715 -11.8722 PRESSURE: 1055200 82.5383 94.072 26.6478 94.072 -63.5684 156.798 26.6485 156.798 254.143 GPRESSURE: 1055200 82.3117 150.645 66.2591 130.588 77.0759 132.877 35.7575 66.8927 193.946 PRESSAVG: 1055200 -18.8858 5.23175 7.94604 5.23174 35.3252 -32.0512 7.94597 -32.0513 -5.75322 GPRESSAVG: 1055200 -18.4529 5.50327 7.9664 6.65788 36.2563 -31.1968 9.86237 -33.8357 -7.12574 TIMING: 1055200 CPU: 3334.07, 0.00314782/step Wall: 3334.07, 0.00314782/step, 3.44931 hours remaining, 234.105469 MB of memory in use. ENERGY: 1055200 3918.7836 20456.0959 14525.1256 257.2604 -203101.6121 2608.0788 0.0000 0.0000 52030.9554 -109305.3124 299.0226 -161336.2678 -108927.9882 298.9398 91.0377 117.7780 762901.7680 3.5620 3.5592 PRESSURE: 1055400 -269.017 70.0978 61.5146 70.0985 -82.5482 53.4408 61.5154 53.4418 -67.0868 GPRESSURE: 1055400 -247.567 50.1764 48.5244 70.8053 -61.2685 -21.5524 97.0006 64.0611 1.17647 PRESSAVG: 1055400 -27.8239 -3.38814 -2.78507 -3.38813 4.99786 -0.59211 -2.78508 -0.592068 11.4634 GPRESSAVG: 1055400 -27.8364 -2.14827 -1.87323 -6.35094 4.02236 -2.5767 -4.83536 -0.151495 13.161 TIMING: 1055400 CPU: 3334.7, 0.00313855/step Wall: 3334.7, 0.00313855/step, 3.43898 hours remaining, 234.105469 MB of memory in use. ENERGY: 1055400 4002.1656 20538.4401 14481.9648 249.9160 -203435.5175 2841.8128 0.0000 0.0000 52054.6772 -109266.5410 299.1589 -161321.2182 -108904.4506 299.2206 -139.5508 -102.5531 763774.2725 -3.7875 -3.5510 PRESSURE: 1055600 93.5288 -156.691 7.57326 -156.692 256.346 100.6 7.57289 100.601 397.606 GPRESSURE: 1055600 260.415 -157.229 78.8444 -121.886 235.766 67.9373 -58.5597 67.0195 318.919 PRESSAVG: 1055600 -17.9642 -5.98657 27.2674 -5.98663 41.4317 11.1712 27.2673 11.1712 18.5422 GPRESSAVG: 1055600 -16.5647 -6.82624 25.6298 -5.17551 41.3603 12.1438 30.2258 11.7534 16.6635 TIMING: 1055600 CPU: 3335.33, 0.00314709/step Wall: 3335.33, 0.00314709/step, 3.44816 hours remaining, 234.105469 MB of memory in use. ENERGY: 1055600 3882.3959 20401.2768 14473.7532 236.0331 -203174.4378 2919.3362 0.0000 0.0000 52019.2780 -109242.3645 298.9555 -161261.6425 -108875.8685 299.2588 249.1600 271.6999 762560.0821 14.0032 13.8197 PRESSURE: 1055800 -147.558 -127.311 -74.2804 -127.312 -407.704 -22.8182 -74.2801 -22.8178 169.611 GPRESSURE: 1055800 -34.9787 -134.948 -90.1932 -82.5149 -385.661 -32.9542 -37.0881 27.1906 111.825 PRESSAVG: 1055800 -27.1676 -48.5649 65.3286 -48.5649 19.9612 60.5813 65.3286 60.5814 5.54557 GPRESSAVG: 1055800 -26.8638 -49.4638 66.4257 -48.3995 19.8671 60.358 63.9455 60.63 4.86139 TIMING: 1055800 CPU: 3335.96, 0.00315569/step Wall: 3335.96, 0.0031557/step, 3.45742 hours remaining, 234.105469 MB of memory in use. ENERGY: 1055800 3956.6210 20278.6516 14522.4700 239.5690 -203155.0767 2630.8281 0.0000 0.0000 52242.0983 -109284.8387 300.2361 -161526.9370 -108927.7565 298.7751 -128.5502 -102.9380 762197.6124 -0.5536 -0.7118 PRESSURE: 1056000 52.7868 9.72805 217.455 9.72789 -18.732 -140.273 217.454 -140.272 80.9081 GPRESSURE: 1056000 39.2227 17.3809 284.775 87.3856 44.3089 -202.607 119.16 -54.9703 105.825 PRESSAVG: 1056000 11.5925 -33.38 41.5096 -33.38 -16.7613 7.09216 41.5096 7.09225 -15.4399 GPRESSAVG: 1056000 10.251 -33.044 41.4434 -32.5414 -16.1505 8.01707 39.9324 6.79967 -14.2086 TIMING: 1056000 CPU: 3336.6, 0.00318712/step Wall: 3336.6, 0.00318711/step, 3.49166 hours remaining, 234.105469 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: 1056000 4005.8691 20451.2212 14438.5269 225.5680 -203158.0766 2742.9944 0.0000 0.0000 52007.6144 -109286.2826 298.8885 -161293.8971 -108927.8324 299.0110 38.3210 63.1188 762044.1024 -6.8696 -6.7027 PRESSURE: 1056200 -106.81 127.479 -20.9067 127.479 -80.1627 133.131 -20.9067 133.131 169.961 GPRESSURE: 1056200 -54.3086 21.4017 -40.7902 15.9019 -122.262 153.703 -175.748 172.438 247.229 PRESSAVG: 1056200 -5.52748 -11.9546 -9.7538 -11.9546 -4.89662 23.2381 -9.75384 23.2381 -7.89586 GPRESSAVG: 1056200 -5.27977 -12.5292 -11.1193 -11.0733 -5.74721 20.8556 -8.90408 23.5457 -7.45316 TIMING: 1056200 CPU: 3337.24, 0.00320114/step Wall: 3337.24, 0.00320114/step, 3.50685 hours remaining, 234.105469 MB of memory in use. ENERGY: 1056200 3960.9998 20350.0733 14478.3244 248.8534 -202929.6228 2802.2346 0.0000 0.0000 51773.0025 -109316.1347 297.5402 -161089.1373 -108958.8185 298.4352 -5.6708 23.5527 764168.5013 -6.1067 -6.1600 LDB: ============= START OF LOAD BALANCING ============== 3349.78 LDB: ============== END OF LOAD BALANCING =============== 3349.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3349.78 LDB: ============= START OF LOAD BALANCING ============== 3350.1 LDB: Largest compute 7042 load 0.031708 is 16.2% of average load 0.195284 LDB: Average compute 0.004385 is 2.2% of average load 0.195284 LDB: TIME 3350.1 LOAD: AVG 0.195284 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.703 MB LDB: TIME 3350.1 LOAD: AVG 0.195284 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.77 MB LDB: TIME 3350.1 LOAD: AVG 0.195284 MAX 0.214592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.77 MB LDB: ============== END OF LOAD BALANCING =============== 3350.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3350.11 PRESSURE: 1056400 81.7337 -102.058 -71.0914 -102.058 -357.096 -265.091 -71.0914 -265.09 -312.681 GPRESSURE: 1056400 88.3406 -108.647 -109.76 -97.2755 -233.83 -221.565 -97.0181 -203.645 -349.854 PRESSAVG: 1056400 -64.8345 1.81521 -79.1328 1.8152 20.5865 12.8975 -79.1327 12.8976 4.61922 GPRESSAVG: 1056400 -64.1053 1.85014 -79.6566 1.73411 20.3214 14.4817 -78.872 13.081 4.54166 TIMING: 1056400 CPU: 3337.89, 0.00327055/step Wall: 3337.89, 0.00327055/step, 3.58271 hours remaining, 235.246094 MB of memory in use. ENERGY: 1056400 4038.7223 20279.2728 14478.5293 254.1543 -203417.4376 2935.8318 0.0000 0.0000 52062.7977 -109368.1295 299.2056 -161430.9272 -109003.3948 298.6631 -196.0143 -165.1146 763893.0258 -13.2096 -13.0808 PRESSURE: 1056600 374.344 173.08 104.416 173.08 49.8448 262.653 104.415 262.652 -91.2764 GPRESSURE: 1056600 381.683 120.211 91.7678 194.629 125.839 265.63 57.6957 319.403 -98.0493 PRESSAVG: 1056600 21.4289 44.5258 -13.9041 44.5258 -23.3755 -36.4495 -13.9041 -36.4496 -8.62921 GPRESSAVG: 1056600 21.4129 43.0361 -11.872 44.1002 -22.9795 -38.2685 -15.8069 -35.5657 -8.89692 TIMING: 1056600 CPU: 3338.53, 0.00318241/step Wall: 3338.53, 0.00318242/step, 3.48598 hours remaining, 235.246094 MB of memory in use. ENERGY: 1056600 3956.0165 20499.9390 14494.9443 237.7744 -203500.4975 2883.7761 0.0000 0.0000 51965.0695 -109462.9777 298.6440 -161428.0472 -109101.2201 298.5421 110.9710 136.4910 762665.1242 -3.5253 -3.4878 PRESSURE: 1056800 -255.748 -137.486 35.6692 -137.486 52.1556 -247.305 35.6699 -247.305 -160.487 GPRESSURE: 1056800 -209.607 -166.184 -57.9984 -103.98 7.52725 -405.754 -45.1037 -83.3614 -79.7264 PRESSAVG: 1056800 -23.0105 38.3693 -40.7601 38.3694 30.3865 -51.5151 -40.7601 -51.5151 24.8081 GPRESSAVG: 1056800 -22.6319 38.5388 -43.5946 39.4481 30.1106 -50.4596 -36.9949 -51.8207 24.6042 TIMING: 1056800 CPU: 3339.16, 0.00316718/step Wall: 3339.16, 0.00316718/step, 3.46912 hours remaining, 235.246094 MB of memory in use. ENERGY: 1056800 3957.2765 20466.1450 14469.1609 242.6123 -203487.9856 2918.2494 0.0000 0.0000 52056.7868 -109377.7547 299.1711 -161434.5415 -109020.7274 298.2770 -121.3598 -93.9354 763785.8610 10.7280 10.6943 PRESSURE: 1057000 272.051 -42.5596 -31.5871 -42.5584 61.1078 -29.6082 -31.5861 -29.6086 -363.434 GPRESSURE: 1057000 310.703 -37.7525 -34.0981 29.7829 111.946 -7.23113 -82.8693 24.0093 -347.76 PRESSAVG: 1057000 -30.5733 6.66138 -32.2641 6.66141 43.8535 -16.9842 -32.264 -16.9842 14.2885 GPRESSAVG: 1057000 -30.7806 7.91811 -30.8896 5.59985 44.1598 -15.5166 -34.3722 -19.7575 14.3368 TIMING: 1057000 CPU: 3339.8, 0.00316341/step Wall: 3339.8, 0.00316341/step, 3.46481 hours remaining, 235.246094 MB of memory in use. ENERGY: 1057000 3896.9330 20413.6869 14543.9502 240.9506 -203423.2754 2918.2102 0.0000 0.0000 52342.3107 -109067.2336 300.8120 -161409.5444 -108695.9397 299.3999 -10.0918 24.9631 762092.2420 9.1896 9.2387 PRESSURE: 1057200 19.8863 -36.402 265.736 -36.4024 -28.165 -179.985 265.736 -179.985 285.721 GPRESSURE: 1057200 91.6339 -168.636 249.387 -154.248 4.85478 -106.499 192.428 -234.262 289.054 PRESSAVG: 1057200 -7.95938 -42.163 25.2061 -42.163 9.85197 30.3121 25.2062 30.3122 -12.9217 GPRESSAVG: 1057200 -9.37823 -42.6232 25.4947 -39.4661 11.3183 27.5132 25.7651 32.9003 -12.6463 TIMING: 1057200 CPU: 3340.43, 0.00316813/step Wall: 3340.43, 0.00316813/step, 3.4698 hours remaining, 235.246094 MB of memory in use. ENERGY: 1057200 4051.4710 20355.8597 14506.2814 230.2036 -202885.0829 2534.3505 0.0000 0.0000 52133.8316 -109073.0850 299.6138 -161206.9166 -108708.3188 299.4447 92.4807 128.5144 761001.0548 -3.6764 -3.5687 PRESSURE: 1057400 40.0811 -3.19344 -3.77244 -3.19306 64.7532 3.70148 -3.77244 3.70222 -13.3084 GPRESSURE: 1057400 125.672 -75.0308 -86.7984 39.1677 76.3322 8.35645 135.748 12.7993 -33.2761 PRESSAVG: 1057400 8.25253 -19.5078 42.3243 -19.5077 -17.4194 5.47354 42.3243 5.47351 -1.66072 GPRESSAVG: 1057400 8.74718 -19.4515 42.6351 -21.7558 -17.9439 6.63157 42.6199 5.61281 -2.54881 TIMING: 1057400 CPU: 3341.06, 0.00315526/step Wall: 3341.06, 0.00315526/step, 3.45554 hours remaining, 235.246094 MB of memory in use. ENERGY: 1057400 3994.2074 20541.1137 14532.6842 235.9662 -203330.0575 2701.4510 0.0000 0.0000 52174.3372 -109150.2977 299.8466 -161324.6349 -108792.8285 299.4223 30.5086 56.2428 761019.3000 -3.6092 -3.9152 PRESSURE: 1057600 325.389 335.254 259.942 335.254 628.114 5.3894 259.941 5.38892 38.7915 GPRESSURE: 1057600 384.801 250.08 186.448 376.54 552.771 99.802 297.81 -21.2121 126.803 PRESSAVG: 1057600 22.3787 -69.8526 -14.1552 -69.8526 93.3456 29.9707 -14.1552 29.9707 -1.74877 GPRESSAVG: 1057600 23.3011 -68.9653 -14.5345 -69.3569 92.4342 32.6833 -13.2286 30.0722 -1.87905 TIMING: 1057600 CPU: 3341.69, 0.00314732/step Wall: 3341.69, 0.00314732/step, 3.44666 hours remaining, 235.246094 MB of memory in use. ENERGY: 1057600 3897.9425 20445.8185 14531.4344 243.0149 -203588.5579 3065.5011 0.0000 0.0000 52221.6787 -109183.1678 300.1187 -161404.8466 -108813.1067 299.3741 330.7647 354.7918 760983.9351 37.9918 37.9521 PRESSURE: 1057800 -99.3193 -316.622 2.74498 -316.623 -25.4624 -234.349 2.74403 -234.349 -545.341 GPRESSURE: 1057800 -136.887 -284.147 -8.63075 -266.976 -2.18749 -178.057 -69.7337 -225.279 -445.735 PRESSAVG: 1057800 -47.5953 -14.0385 -57.4559 -14.0386 62.5842 -32.9492 -57.4559 -32.9492 4.9175 GPRESSAVG: 1057800 -48.1983 -12.6376 -56.6766 -16.0813 62.6921 -34.4242 -57.5142 -33.0394 5.57424 TIMING: 1057800 CPU: 3342.32, 0.00315722/step Wall: 3342.32, 0.00315722/step, 3.45734 hours remaining, 235.246094 MB of memory in use. ENERGY: 1057800 4089.3150 20390.9265 14495.4052 224.2987 -203304.1009 2781.0634 0.0000 0.0000 52138.7331 -109184.3589 299.6420 -161323.0921 -108817.0815 299.2522 -223.3741 -194.9367 762799.1970 6.6355 6.6894 PRESSURE: 1058000 -502.143 70.38 -28.1172 70.3797 -379.932 60.2174 -28.1183 60.2176 -201.216 GPRESSURE: 1058000 -434.13 -16.3879 1.6545 113.08 -363.913 116.078 -10.072 -83.2937 -193.6 PRESSAVG: 1058000 -35.9035 -15.1691 -3.30291 -15.1691 -1.55559 -59.6431 -3.3029 -59.6431 -17.3798 GPRESSAVG: 1058000 -36.7461 -16.4487 -2.28948 -13.6692 -0.57293 -60.8577 -4.55413 -61.5228 -17.094 TIMING: 1058000 CPU: 3342.95, 0.00315622/step Wall: 3342.95, 0.00315622/step, 3.45606 hours remaining, 235.246094 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: 1058000 4008.1528 20454.2546 14475.0164 236.2331 -202978.6038 2513.1750 0.0000 0.0000 52343.2666 -108948.5053 300.8175 -161291.7720 -108587.1355 299.6011 -361.0970 -330.5475 764869.5866 -18.2796 -18.1377 PRESSURE: 1058200 25.5519 -72.5591 -192.484 -72.5594 74.5368 -103.071 -192.484 -103.07 90.0903 GPRESSURE: 1058200 132.566 27.1755 -71.9547 -12.1177 89.8355 -236.858 -262.926 -36.8326 66.1422 PRESSAVG: 1058200 5.00206 32.716 23.5696 32.716 -4.91112 -27.2995 23.5696 -27.2995 -1.35112 GPRESSAVG: 1058200 6.43677 34.9225 21.9835 31.2826 -4.97262 -27.4474 24.9629 -26.8381 -1.89599 TIMING: 1058200 CPU: 3343.59, 0.00317845/step Wall: 3343.59, 0.00317845/step, 3.48022 hours remaining, 235.246094 MB of memory in use. ENERGY: 1058200 4030.0903 20532.4775 14475.2268 241.3431 -203544.6925 3051.8566 0.0000 0.0000 52241.5840 -108972.1142 300.2331 -161213.6981 -108616.8563 299.8942 63.3930 96.1812 763734.7285 -0.4201 -0.1439 PRESSURE: 1058400 32.9312 -44.4848 138.663 -44.4841 188.513 87.859 138.663 87.8583 -240.388 GPRESSURE: 1058400 48.8378 51.1399 65.4592 -44.4056 244.4 79.6462 129.365 -12.8461 -241.28 PRESSAVG: 1058400 -6.96374 36.2361 5.24145 36.236 -0.88173 -15.945 5.24145 -15.9451 1.1255 GPRESSAVG: 1058400 -7.43687 36.0623 4.99982 35.024 -0.455304 -15.7745 4.98669 -14.5993 1.63002 TIMING: 1058400 CPU: 3344.22, 0.0031593/step Wall: 3344.22, 0.0031593/step, 3.45908 hours remaining, 235.246094 MB of memory in use. ENERGY: 1058400 3948.7812 20475.2432 14468.8505 245.6328 -202854.4074 2509.3854 0.0000 0.0000 52224.5714 -108981.9428 300.1353 -161206.5142 -108601.0400 299.5449 -6.3146 17.3190 764627.5360 -2.2400 -2.0874 PRESSURE: 1058600 -123.508 -92.5602 106.4 -92.5593 -13.6319 221.337 106.4 221.337 -163.446 GPRESSURE: 1058600 -121.46 -109.075 61.4225 -46.5212 6.97166 183.765 107.708 138.047 -72.8579 PRESSAVG: 1058600 17.8129 -21.7944 5.25131 -21.7943 9.41638 -11.0641 5.25126 -11.0641 -8.95731 GPRESSAVG: 1058600 17.4251 -23.7846 4.72448 -17.8986 10.0687 -12.2167 7.30983 -11.9564 -8.64675 TIMING: 1058600 CPU: 3344.85, 0.00313334/step Wall: 3344.85, 0.00313334/step, 3.43049 hours remaining, 235.246094 MB of memory in use. ENERGY: 1058600 4047.0861 20515.0377 14555.5229 251.5067 -203560.6188 2736.1650 0.0000 0.0000 52254.6677 -109200.6327 300.3083 -161455.3004 -108834.8934 299.6810 -100.1953 -62.4486 762216.5499 6.0907 6.2823 PRESSURE: 1058800 96.7007 -123.149 -262.185 -123.148 -214.864 -279.463 -262.185 -279.462 -163.897 GPRESSURE: 1058800 74.3757 -175.568 -282.961 -212.881 -88.7148 -279.875 -130.26 -121.648 -180.398 PRESSAVG: 1058800 -22.9415 -78.8683 40.4784 -78.8683 23.6365 -2.86831 40.4784 -2.86827 8.33895 GPRESSAVG: 1058800 -21.7631 -77.1547 41.6995 -79.9992 23.4463 -1.20145 40.7728 -2.05231 6.76608 TIMING: 1058800 CPU: 3345.48, 0.00314984/step Wall: 3345.48, 0.00314984/step, 3.44837 hours remaining, 235.246094 MB of memory in use. ENERGY: 1058800 4068.0896 20464.7823 14528.1544 231.4105 -203032.1042 2533.3603 0.0000 0.0000 51977.5246 -109228.7823 298.7155 -161206.3069 -108865.1015 299.7174 -94.0199 -64.9124 762173.2877 3.0113 2.8164 PRESSURE: 1059000 312.058 -24.2086 82.4618 -24.2083 -18.0384 -248.04 82.4621 -248.04 121.011 GPRESSURE: 1059000 275.708 -54.5513 147.47 -16.8165 83.42 -114.628 158.745 -262.005 141.099 PRESSAVG: 1059000 -7.24946 -22.3402 -3.40109 -22.3403 27.5981 30.6872 -3.40104 30.6872 14.7668 GPRESSAVG: 1059000 -7.3446 -24.0772 -4.04456 -23.2379 26.4395 30.0639 -4.75803 29.4811 16.0304 TIMING: 1059000 CPU: 3346.11, 0.00315303/step Wall: 3346.11, 0.00315303/step, 3.45169 hours remaining, 235.246094 MB of memory in use. ENERGY: 1059000 3968.5862 20649.6980 14506.9633 239.3135 -203099.8510 2488.2266 0.0000 0.0000 52187.1192 -109059.9442 299.9201 -161247.0634 -108716.2130 299.5331 138.3433 166.7426 761671.9630 11.7052 11.7084 PRESSURE: 1059200 411.249 -206.931 -42.9452 -206.931 314.568 -58.8417 -42.9457 -58.8414 540.278 GPRESSURE: 1059200 369.517 -216.188 -21.5963 -199.985 382.751 31.7847 65.8985 -66.0141 590.239 PRESSAVG: 1059200 1.58647 -55.5507 -10.0917 -55.5507 15.1889 -53.0426 -10.0916 -53.0426 -10.2893 GPRESSAVG: 1059200 0.877304 -54.4451 -8.37408 -54.6609 16.818 -51.0782 -11.4422 -53.6798 -11.7982 TIMING: 1059200 CPU: 3346.74, 0.0031592/step Wall: 3346.74, 0.0031592/step, 3.45827 hours remaining, 235.246094 MB of memory in use. ENERGY: 1059200 4055.0731 20512.6023 14498.3776 239.0452 -203408.5928 2673.9345 0.0000 0.0000 52305.5630 -109123.9971 300.6008 -161429.5601 -108761.9180 299.7189 422.0316 447.5023 761196.5361 2.1620 1.9657 PRESSURE: 1059400 7.05306 157.985 195.835 157.984 80.8072 -16.539 195.834 -16.5391 -6.10061 GPRESSURE: 1059400 36.6341 212.804 107.321 39.9564 173.712 -54.7044 207.04 -33.3625 -66.2726 PRESSAVG: 1059400 -2.17495 -7.74249 30.5016 -7.74251 -23.7342 -96.2683 30.5016 -96.2682 -22.7897 GPRESSAVG: 1059400 -1.53033 -7.55147 27.7418 -8.84887 -24.9377 -100.227 32.7349 -96.2919 -22.3243 TIMING: 1059400 CPU: 3347.37, 0.00315731/step Wall: 3347.37, 0.00315731/step, 3.45602 hours remaining, 235.246094 MB of memory in use. ENERGY: 1059400 3971.9691 20488.4749 14484.9523 243.4759 -203910.9983 3241.0910 0.0000 0.0000 52228.8201 -109252.2150 300.1597 -161481.0351 -108882.1422 299.0528 27.2532 48.0245 762413.9850 -16.2329 -16.2641 PRESSURE: 1059600 -2.92191 -36.5883 -4.35382 -36.5883 -57.3252 38.8347 -4.35415 38.8349 123.569 GPRESSURE: 1059600 35.9834 -113.833 -31.3112 -112.301 46.0358 -15.612 -72.0548 168.324 87.5203 PRESSAVG: 1059600 19.2394 -17.8937 23.6469 -17.8937 2.76824 4.01766 23.647 4.0177 14.2611 GPRESSAVG: 1059600 18.6543 -18.1242 24.8826 -17.4231 3.18321 7.16474 21.7745 2.34762 14.2007 TIMING: 1059600 CPU: 3348, 0.00314924/step Wall: 3348, 0.00314924/step, 3.44702 hours remaining, 235.246094 MB of memory in use. ENERGY: 1059600 4064.8456 20665.3183 14467.9515 250.7128 -203631.9003 2823.4564 0.0000 0.0000 52121.9510 -109237.6648 299.5456 -161359.6158 -108875.9390 299.2489 21.1074 56.5132 763421.3231 12.0896 12.0127 PRESSURE: 1059800 -258.288 -87.0919 -30.1279 -87.092 152.213 -174.44 -30.1279 -174.439 -132.843 GPRESSURE: 1059800 -153.138 -119.863 33.8369 -123.997 101.629 -179.505 -41.3625 -121.223 -80.2027 PRESSAVG: 1059800 -5.54284 -11.4452 -3.11042 -11.4452 -25.7922 9.352 -3.11044 9.352 18.6888 GPRESSAVG: 1059800 -5.43131 -12.4044 -1.92099 -11.9746 -27.5163 6.56312 -2.15894 11.6769 19.6818 TIMING: 1059800 CPU: 3348.63, 0.00314434/step Wall: 3348.63, 0.00314434/step, 3.44148 hours remaining, 235.246094 MB of memory in use. ENERGY: 1059800 4108.1052 20696.9322 14480.8470 257.8940 -203354.6468 2650.2727 0.0000 0.0000 51893.9670 -109266.6286 298.2353 -161160.5956 -108905.3751 299.7860 -79.6395 -43.9038 763138.2095 -4.2154 -4.4220 PRESSURE: 1060000 14.59 45.2688 -105.867 45.2684 150.44 -23.3533 -105.866 -23.3542 -216.372 GPRESSURE: 1060000 72.7263 42.0112 -115.29 -110.96 111.928 -21.211 -87.8826 -128.377 -168.2 PRESSAVG: 1060000 32.2351 -17.6814 -30.3661 -17.6814 -1.21469 -51.2085 -30.366 -51.2085 3.24383 GPRESSAVG: 1060000 31.7563 -14.8386 -30.5414 -18.4435 -0.938398 -49.7664 -32.3374 -52.1352 3.31977 TIMING: 1060000 CPU: 3349.26, 0.00315083/step Wall: 3349.26, 0.00315083/step, 3.44841 hours remaining, 235.246094 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: 1060000 3901.9843 20708.3549 14452.9310 251.8100 -203553.8243 2754.5697 0.0000 0.0000 52159.3256 -109324.8488 299.7604 -161484.1744 -108948.0334 299.6335 -17.1140 5.4846 762781.7502 11.4214 11.3792 PRESSURE: 1060200 -19.4557 48.3239 3.21795 48.3237 88.0913 194.124 3.21841 194.123 -228.86 GPRESSURE: 1060200 -51.4458 67.1501 41.8515 67.8039 144.667 200.758 -27.4353 67.0188 -173.379 PRESSAVG: 1060200 -33.5988 31.8544 -1.53359 31.8545 18.6648 -17.1384 -1.53364 -17.1384 0.529866 GPRESSAVG: 1060200 -33.0468 30.0411 -1.34545 33.6346 18.2894 -17.4317 0.51088 -16.2962 -0.311085 TIMING: 1060200 CPU: 3349.89, 0.00314256/step Wall: 3349.89, 0.00314256/step, 3.43918 hours remaining, 235.246094 MB of memory in use. ENERGY: 1060200 4034.1718 20582.9686 14465.0417 246.5827 -203226.7763 2657.8284 0.0000 0.0000 51894.2989 -109345.8842 298.2372 -161240.1830 -108990.1766 299.4426 -53.4082 -26.7194 761426.1271 -4.8014 -5.0228 LDB: ============= START OF LOAD BALANCING ============== 3362.42 LDB: ============== END OF LOAD BALANCING =============== 3362.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3362.42 LDB: ============= START OF LOAD BALANCING ============== 3362.74 LDB: Largest compute 7059 load 0.031971 is 16.4% of average load 0.195236 LDB: Average compute 0.004394 is 2.3% of average load 0.195236 LDB: TIME 3362.74 LOAD: AVG 0.195236 MAX 0.217512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.312 MB LDB: TIME 3362.74 LOAD: AVG 0.195236 MAX 0.217512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.312 MB LDB: TIME 3362.74 LOAD: AVG 0.195236 MAX 0.217512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.312 MB LDB: ============== END OF LOAD BALANCING =============== 3362.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3362.75 PRESSURE: 1060400 181.277 -299.157 190.464 -299.158 -134.338 2.66122 190.464 2.66135 199.02 GPRESSURE: 1060400 163.805 -201.311 178.845 -412.936 -18.8858 -63.2919 156.889 86.8727 203.989 PRESSAVG: 1060400 27.1995 -40.0858 14.6007 -40.0858 -67.0802 26.2555 14.6007 26.2555 -13.4607 GPRESSAVG: 1060400 27.2694 -40.0459 14.5049 -39.8236 -66.5399 27.2558 14.5556 25.3064 -13.5851 TIMING: 1060400 CPU: 3350.53, 0.00320927/step Wall: 3350.53, 0.00320927/step, 3.51201 hours remaining, 233.378906 MB of memory in use. ENERGY: 1060400 3960.8067 20599.3954 14435.0585 233.4809 -203197.8532 2644.6345 0.0000 0.0000 52103.4262 -109221.0510 299.4391 -161324.4772 -108857.2545 299.4543 81.9862 116.3027 760611.7037 -17.7805 -17.6185 PRESSURE: 1060600 317.822 -153.946 143.022 -153.945 -141.283 96.5201 143.022 96.5211 -261.014 GPRESSURE: 1060600 373.218 -174.67 130.07 -78.4087 -97.874 126.088 123.709 -60.8524 -279.118 PRESSAVG: 1060600 16.5933 -84.9176 -38.5833 -84.9176 -13.1467 10.1274 -38.5833 10.1273 2.15213 GPRESSAVG: 1060600 15.5105 -84.3374 -39.0508 -86.0604 -12.8553 11.0375 -39.6487 9.42902 2.72795 TIMING: 1060600 CPU: 3351.16, 0.00313552/step Wall: 3351.16, 0.00313552/step, 3.43113 hours remaining, 233.582031 MB of memory in use. ENERGY: 1060600 4000.8127 20472.6764 14501.5990 237.0163 -203223.5566 2633.2686 0.0000 0.0000 52164.7366 -109213.4470 299.7915 -161378.1836 -108845.7969 299.5752 -28.1584 -1.2580 760197.5849 1.8663 1.7944 PRESSURE: 1060800 17.219 12.5912 59.9008 12.5909 42.4934 41.8286 59.9014 41.8282 392.459 GPRESSURE: 1060800 69.9852 9.36662 43.124 13.341 102.055 -15.9788 -21.3831 165.736 373.333 PRESSAVG: 1060800 19.0556 -74.1946 15.6234 -74.1946 23.5834 4.54124 15.6235 4.54129 21.62 GPRESSAVG: 1060800 19.6604 -75.245 16.4368 -73.697 23.7051 2.543 17.1586 6.69722 21.1847 TIMING: 1060800 CPU: 3351.79, 0.00317076/step Wall: 3351.79, 0.00317076/step, 3.46951 hours remaining, 233.582031 MB of memory in use. ENERGY: 1060800 4050.1896 20630.0840 14495.6150 254.5803 -203648.5028 3099.6635 0.0000 0.0000 52101.2341 -109017.1365 299.4265 -161118.3706 -108663.7795 299.7471 150.7238 181.7910 759981.1464 21.4197 21.5167 PRESSURE: 1061000 -28.5286 79.9364 6.43473 79.9362 -410.03 -119.979 6.43593 -119.979 -205.085 GPRESSURE: 1061000 138.672 206.85 -76.8475 -33.9019 -424.861 -169.589 17.5069 -80.8455 -272.874 PRESSAVG: 1061000 44.147 -94.9671 50.5943 -94.9672 -54.6907 9.55058 50.5944 9.55057 9.31827 GPRESSAVG: 1061000 45.0102 -93.8153 51.4298 -94.1818 -55.3208 9.95605 47.6547 8.06587 9.16867 TIMING: 1061000 CPU: 3352.42, 0.00315935/step Wall: 3352.42, 0.00315935/step, 3.45686 hours remaining, 233.582031 MB of memory in use. ENERGY: 1061000 3994.5141 20410.3256 14520.4194 246.9223 -203156.6962 2684.1383 0.0000 0.0000 52225.8093 -109074.5672 300.1424 -161300.3765 -108706.9071 299.9798 -214.5480 -186.3541 762622.1416 -0.4085 -0.3806 PRESSURE: 1061200 -80.6188 -112.492 21.6413 -112.491 348.626 347.535 21.6413 347.535 -338.184 GPRESSURE: 1061200 -133.785 -158.02 5.1624 -236.814 388.207 371.01 148.229 163.452 -236.585 PRESSAVG: 1061200 41.8721 -59.8248 49.7434 -59.8248 -39.8336 33.5116 49.7434 33.5116 2.06355 GPRESSAVG: 1061200 40.7331 -59.6561 47.0751 -60.2417 -38.569 34.3888 50.142 36.3751 2.43786 TIMING: 1061200 CPU: 3353.06, 0.00315962/step Wall: 3353.06, 0.00315962/step, 3.45697 hours remaining, 233.582031 MB of memory in use. ENERGY: 1061200 4036.4311 20582.6766 14469.3192 235.6347 -203054.9007 2536.2952 0.0000 0.0000 51969.3367 -109225.2071 298.6685 -161194.5438 -108857.1019 299.4423 -23.3922 5.9456 763671.3993 1.3673 1.5340 PRESSURE: 1061400 127.157 82.8051 12.1933 82.8053 134.638 -195.69 12.1936 -195.689 320.824 GPRESSURE: 1061400 157.533 67.3216 86.1121 127.509 189.532 -122.846 -1.54458 -181.675 290.192 PRESSAVG: 1061400 -4.95327 -30.9386 11.2052 -30.9387 10.3031 -9.57986 11.2053 -9.57982 22.5568 GPRESSAVG: 1061400 -3.69128 -31.8907 13.1112 -31.6375 10.2629 -8.31451 11.8631 -10.6387 21.7664 TIMING: 1061400 CPU: 3353.69, 0.00315183/step Wall: 3353.69, 0.00315183/step, 3.44828 hours remaining, 233.582031 MB of memory in use. ENERGY: 1061400 3955.8821 20591.7718 14478.3177 235.2982 -203464.9293 2926.8478 0.0000 0.0000 52217.5891 -109059.2226 300.0952 -161276.8117 -108685.5370 299.3252 194.2067 212.4190 763621.9311 9.3022 9.4460 PRESSURE: 1061600 78.1845 -386.016 43.7033 -386.016 -200.171 -16.2301 43.7035 -16.2314 -462.244 GPRESSURE: 1061600 48.6332 -335.066 -17.6367 -371.2 -137.942 -74.8362 -37.8867 -8.15815 -407.273 PRESSAVG: 1061600 1.79457 -33.4765 -22.5196 -33.4764 10.9814 25.4858 -22.5196 25.4858 10.8228 GPRESSAVG: 1061600 1.66162 -34.154 -23.6797 -31.5164 11.1729 24.452 -24.0832 24.214 10.7066 TIMING: 1061600 CPU: 3354.32, 0.00318006/step Wall: 3354.32, 0.00318006/step, 3.47898 hours remaining, 233.582031 MB of memory in use. ENERGY: 1061600 4052.2254 20610.4737 14460.9392 232.7691 -202664.8973 2286.4634 0.0000 0.0000 51973.7498 -109048.2767 298.6939 -161022.0265 -108686.7867 299.3583 -194.7434 -165.5271 763654.1138 7.8663 7.8470 PRESSURE: 1061800 5.83474 58.5999 74.4605 58.5994 56.7048 16.9546 74.4596 16.9537 -192.665 GPRESSURE: 1061800 73.1979 158.746 -8.15722 84.9803 74.2872 -9.56933 65.5602 36.9417 -217.135 PRESSAVG: 1061800 -10.3985 7.88056 -4.72319 7.88061 -28.9437 19.1441 -4.72319 19.144 7.66071 GPRESSAVG: 1061800 -11.3154 8.71121 -5.73937 8.47039 -28.844 17.9884 -1.10956 19.2953 8.10237 TIMING: 1061800 CPU: 3354.96, 0.00317824/step Wall: 3354.96, 0.00317824/step, 3.47682 hours remaining, 233.582031 MB of memory in use. ENERGY: 1061800 3930.3907 20655.6705 14514.3940 242.5669 -202970.4763 2723.1214 0.0000 0.0000 52140.1262 -108764.2066 299.6500 -160904.3328 -108403.6089 299.5446 -43.3753 -23.2166 764345.5026 -10.5605 -10.6857 PRESSURE: 1062000 -147.07 -83.1642 -123.322 -83.1636 246.472 -91.2282 -123.323 -91.2284 497.33 GPRESSURE: 1062000 -37.0778 18.9874 -132.727 -262.439 210.343 -113.126 -108.612 -74.4386 527.199 PRESSAVG: 1062000 -0.91711 -10.4005 24.7211 -10.4005 16.7622 3.576 24.721 3.57588 15.8601 GPRESSAVG: 1062000 -0.519711 -10.6859 25.8922 -12.0888 16.8728 5.50326 23.3288 5.79831 15.3442 TIMING: 1062000 CPU: 3355.59, 0.00317438/step Wall: 3355.59, 0.00317438/step, 3.47242 hours remaining, 233.582031 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: 1062000 3943.3980 20580.2791 14473.2050 241.8405 -203423.9253 3011.5509 0.0000 0.0000 52465.9306 -108707.7211 301.5224 -161173.6517 -108348.0021 300.4567 198.9108 233.4879 761367.1025 10.5684 10.5658 PRESSURE: 1062200 -104.329 -50.6764 -58.4063 -50.6762 192.634 94.3448 -58.4063 94.344 63.6516 GPRESSURE: 1062200 4.1202 -50.8676 -107.622 -3.04317 141.684 160.036 16.7894 -20.5126 99.4871 PRESSAVG: 1062200 13.1086 -2.91503 25.0813 -2.91507 -23.7787 20.0585 25.0813 20.0585 -8.742 GPRESSAVG: 1062200 13.5617 -1.43668 24.3298 -5.59222 -24.7435 19.1178 25.0849 19.5017 -8.37156 TIMING: 1062200 CPU: 3356.23, 0.00316898/step Wall: 3356.23, 0.00316898/step, 3.46633 hours remaining, 233.582031 MB of memory in use. ENERGY: 1062200 3994.0820 20601.3791 14451.1290 257.9318 -203050.1551 2652.6162 0.0000 0.0000 52278.5419 -108814.4752 300.4455 -161093.0171 -108447.0313 300.5229 50.6521 81.7639 762838.7228 -6.4707 -6.5178 PRESSURE: 1062400 16.8206 151.271 -73.6528 151.27 138.048 198.346 -73.6532 198.346 -336.921 GPRESSURE: 1062400 16.1729 165.783 -113.174 105.685 84.9448 236.237 -239.387 81.7109 -190.292 PRESSAVG: 1062400 -34.6275 30.5086 -5.54148 30.5087 71.2827 5.00357 -5.54153 5.00355 12.9687 GPRESSAVG: 1062400 -35.4784 27.7166 -4.59913 33.3024 72.2974 5.43492 -8.47952 3.00807 13.0205 TIMING: 1062400 CPU: 3356.86, 0.00316465/step Wall: 3356.86, 0.00316465/step, 3.46143 hours remaining, 233.582031 MB of memory in use. ENERGY: 1062400 3986.2412 20665.7115 14479.6614 233.5936 -203135.3207 2610.0971 0.0000 0.0000 52361.0552 -108798.9608 300.9197 -161160.0159 -108430.2175 299.9636 -60.6840 -29.7249 763204.1727 16.5413 16.6132 PRESSURE: 1062600 -64.7696 -189.835 -48.9971 -189.835 -109.538 57.1235 -48.9956 57.1249 -0.936926 GPRESSURE: 1062600 -17.9662 -158.168 -1.27759 -218.814 -77.9313 234.446 12.4185 -20.2952 6.94003 PRESSAVG: 1062600 -29.7147 -7.26258 12.9289 -7.26265 49.7878 -33.8308 12.929 -33.8308 4.34588 GPRESSAVG: 1062600 -29.1598 -7.23395 14.257 -7.51508 49.4383 -35.2439 14.8323 -32.3251 3.78473 TIMING: 1062600 CPU: 3357.5, 0.00318789/step Wall: 3357.5, 0.00318789/step, 3.48667 hours remaining, 233.582031 MB of memory in use. ENERGY: 1062600 4022.4973 20543.8331 14473.7101 251.9763 -203271.7538 2790.0507 0.0000 0.0000 52379.9061 -108809.7802 301.0280 -161189.6863 -108441.5328 300.5360 -58.4148 -29.6525 763590.1699 8.1397 8.0211 PRESSURE: 1062800 -84.2527 146.61 12.8763 146.61 -86.9656 -365.73 12.8766 -365.732 56.2765 GPRESSURE: 1062800 -111.102 22.8843 35.2585 169.009 37.4446 -253.597 -92.1097 -311.692 40.4457 PRESSAVG: 1062800 -15.4967 45.4908 9.87387 45.4907 40.3901 -27.2668 9.87396 -27.2667 -29.744 GPRESSAVG: 1062800 -16.0874 47.056 8.33569 47.2478 40.924 -25.4005 11.393 -27.8387 -29.3964 TIMING: 1062800 CPU: 3358.13, 0.0031568/step Wall: 3358.13, 0.0031568/step, 3.45248 hours remaining, 233.582031 MB of memory in use. ENERGY: 1062800 3991.0240 20542.7787 14454.5161 244.1708 -203098.5827 2603.3813 0.0000 0.0000 52365.8906 -108896.8211 300.9475 -161262.7117 -108542.1824 300.0309 -38.3139 -11.0705 762664.1235 -1.6169 -1.5199 PRESSURE: 1063000 15.19 -4.35645 31.1256 -4.35676 -35.9302 278.316 31.1259 278.316 489.988 GPRESSURE: 1063000 38.353 -42.5149 81.9801 -11.0567 -67.9398 253.887 -2.96687 269.257 597.51 PRESSAVG: 1063000 -43.2257 23.6164 63.7112 23.6164 42.7653 -30.0337 63.7112 -30.0337 17.8663 GPRESSAVG: 1063000 -42.5115 23.355 64.6794 23.2415 41.7264 -31.3134 61.3238 -30.2245 18.9487 TIMING: 1063000 CPU: 3358.76, 0.00315915/step Wall: 3358.76, 0.00315915/step, 3.45488 hours remaining, 233.582031 MB of memory in use. ENERGY: 1063000 3971.5754 20538.3500 14457.3612 246.3615 -203025.8479 2608.6943 0.0000 0.0000 52169.8005 -109033.7049 299.8206 -161203.5055 -108672.9009 299.3711 156.4158 189.3078 763524.5121 5.8020 6.0545 PRESSURE: 1063200 -184.684 -111.262 105.901 -111.261 -473.907 281.276 105.901 281.277 -189.341 GPRESSURE: 1063200 -139.059 -26.476 87.8492 -150.456 -418.322 321.966 193.954 91.8782 -195.834 PRESSAVG: 1063200 -23.3039 -28.1835 16.241 -28.1835 28.3912 12.804 16.241 12.804 -20.1772 GPRESSAVG: 1063200 -24.5755 -27.7667 14.6301 -28.0942 29.7148 12.1788 19.6746 14.0706 -20.6448 TIMING: 1063200 CPU: 3359.4, 0.00319182/step Wall: 3359.4, 0.00319182/step, 3.49043 hours remaining, 233.582031 MB of memory in use. ENERGY: 1063200 4085.3582 20451.7292 14465.8912 237.2913 -202957.6062 2573.1557 0.0000 0.0000 52047.2325 -109096.9482 299.1162 -161144.1806 -108735.4602 299.6093 -282.6439 -251.0717 761756.9625 -5.0300 -5.1685 PRESSURE: 1063400 -335.663 79.8115 26.7257 79.8111 -134.07 -23.9534 26.7256 -23.9533 451.074 GPRESSURE: 1063400 -219.639 10.543 58.2909 73.8797 -105.332 41.0583 -146.36 -63.6473 395.723 PRESSAVG: 1063400 -68.1471 4.72979 37.17 4.72978 1.38053 31.8886 37.17 31.8887 -29.3331 GPRESSAVG: 1063400 -66.5051 2.91668 36.6326 6.80218 1.5328 31.9699 35.7279 30.441 -30.4163 TIMING: 1063400 CPU: 3360.03, 0.00314872/step Wall: 3360.03, 0.00314872/step, 3.44312 hours remaining, 233.582031 MB of memory in use. ENERGY: 1063400 4001.2763 20508.5245 14464.0621 271.6373 -203394.3876 2803.3897 0.0000 0.0000 52361.0403 -108984.4573 300.9196 -161345.4976 -108611.0864 299.1655 -6.2195 23.5841 762126.2779 -32.0332 -31.7962 PRESSURE: 1063600 -305.562 -140.272 88.1147 -140.274 -360.638 105.07 88.1151 105.07 69.6485 GPRESSURE: 1063600 -305.137 -52.8006 60.5806 -149.058 -343.941 -0.678841 235.503 127.673 128.634 PRESSAVG: 1063600 -45.3222 13.5081 45.3305 13.5081 54.848 31.9234 45.3306 31.9234 -4.47866 GPRESSAVG: 1063600 -46.4704 14.3181 47.7279 10.425 55.8614 32.4386 45.2072 33.2313 -4.85501 TIMING: 1063600 CPU: 3360.67, 0.00318992/step Wall: 3360.67, 0.00318992/step, 3.488 hours remaining, 233.582031 MB of memory in use. ENERGY: 1063600 4051.7292 20455.7298 14538.2995 234.9395 -202786.8006 2367.5536 0.0000 0.0000 52157.2198 -108981.3293 299.7483 -161138.5490 -108613.9793 299.8116 -198.8505 -173.4813 762092.3011 1.6824 1.5120 PRESSURE: 1063800 -28.6878 98.3227 109.775 98.3228 -363.108 99.998 109.776 99.9974 -137.969 GPRESSURE: 1063800 -49.5905 123.098 64.9508 86.138 -248.458 66.6707 25.7329 98.5427 -152.42 PRESSAVG: 1063800 -75.2474 -31.6749 12.7444 -31.6749 35.3978 7.17244 12.7444 7.1725 1.01483 GPRESSAVG: 1063800 -75.741 -31.5631 10.758 -29.8523 34.021 7.5858 13.5555 5.68708 2.65502 TIMING: 1063800 CPU: 3361.3, 0.0031498/step Wall: 3361.3, 0.0031498/step, 3.44395 hours remaining, 233.582031 MB of memory in use. ENERGY: 1063800 4056.2901 20561.2260 14521.0156 257.6844 -203305.2822 2653.5929 0.0000 0.0000 52227.6924 -109027.7807 300.1533 -161255.4731 -108661.4458 299.6428 -176.5882 -150.1561 763451.6649 -12.9449 -13.0216 PRESSURE: 1064000 76.9903 -96.9651 -161.403 -96.9649 24.839 114.81 -161.403 114.81 401.933 GPRESSURE: 1064000 128.131 -58.131 -136.625 -75.174 139.962 214.954 -47.1849 76.8383 316.327 PRESSAVG: 1064000 0.358316 -0.00987563 21.4397 -0.00983436 3.23364 6.14311 21.4398 6.14316 -19.9055 GPRESSAVG: 1064000 0.741277 0.942615 21.6223 -0.310649 3.00266 7.08192 23.6299 6.687 -20.5043 TIMING: 1064000 CPU: 3361.92, 0.00313684/step Wall: 3361.92, 0.00313684/step, 3.42961 hours remaining, 233.582031 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: 1064000 3984.5507 20374.2464 14558.3008 240.7034 -203034.9557 2658.8919 0.0000 0.0000 52329.4295 -108888.8331 300.7380 -161218.2626 -108514.2083 300.0492 167.9209 194.8067 762690.1529 -5.4378 -5.5868 PRESSURE: 1064200 146.115 141.594 231.726 141.594 -149.692 -43.6974 231.726 -43.697 -222.815 GPRESSURE: 1064200 172.36 162.719 264.12 -32.946 -52.5282 2.31365 189.489 -7.31708 -240.04 PRESSAVG: 1064200 29.8033 -2.38053 98.3201 -2.38055 -35.0599 26.9743 98.3201 26.9743 5.32794 GPRESSAVG: 1064200 29.9661 -2.65081 97.3557 -1.97643 -34.8816 25.023 95.6578 26.2393 4.99413 TIMING: 1064200 CPU: 3362.56, 0.00318417/step Wall: 3362.56, 0.00318417/step, 3.48118 hours remaining, 233.582031 MB of memory in use. ENERGY: 1064200 3931.2878 20444.6996 14437.9075 252.0958 -203262.9927 2761.1529 0.0000 0.0000 52290.7407 -109145.1085 300.5156 -161435.8492 -108775.5126 300.2086 -75.4639 -40.0696 763322.1101 0.0238 0.0262 LDB: ============= START OF LOAD BALANCING ============== 3375.1 LDB: ============== END OF LOAD BALANCING =============== 3375.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3375.1 LDB: ============= START OF LOAD BALANCING ============== 3375.42 LDB: Largest compute 7042 load 0.031985 is 16.4% of average load 0.195267 LDB: Average compute 0.004378 is 2.2% of average load 0.195267 LDB: TIME 3375.42 LOAD: AVG 0.195267 MAX 0.217224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.184 MB LDB: TIME 3375.42 LOAD: AVG 0.195267 MAX 0.217224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.387 MB LDB: TIME 3375.42 LOAD: AVG 0.195267 MAX 0.217224 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.387 MB LDB: ============== END OF LOAD BALANCING =============== 3375.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3375.43 PRESSURE: 1064400 202.733 195.17 181.829 195.17 -140.115 -156.145 181.829 -156.146 -23.0535 GPRESSURE: 1064400 248.546 208.794 79.9121 120.906 -9.00589 -146.472 89.2046 -255.677 -104.735 PRESSAVG: 1064400 43.7718 22.7271 50.801 22.7271 -3.78294 9.09291 50.801 9.09294 -17.396 GPRESSAVG: 1064400 42.8224 23.7644 52.3077 21.2391 -3.98607 9.78977 49.4998 8.79384 -16.6525 TIMING: 1064400 CPU: 3363.21, 0.00324482/step Wall: 3363.21, 0.00324482/step, 3.54731 hours remaining, 232.281250 MB of memory in use. ENERGY: 1064400 4004.8443 20458.8819 14503.6594 242.5356 -202953.9945 2489.1498 0.0000 0.0000 52006.5357 -109248.3878 298.8823 -161254.9235 -108887.5369 299.6236 13.1880 44.9349 760257.7441 7.5309 7.3946 PRESSURE: 1064600 -315.548 6.2091 -215.933 6.20875 -27.0504 -83.0245 -215.933 -83.0246 -130.15 GPRESSURE: 1064600 -262.496 49.0232 -245.608 46.5352 -39.0817 -156.096 -144.003 -48.0819 -69.2029 PRESSAVG: 1064600 -40.0233 -10.5633 3.2137 -10.5633 12.7369 -28.4899 3.21375 -28.4899 -15.295 GPRESSAVG: 1064600 -40.2848 -13.1221 3.43512 -8.17989 12.6564 -27.55 5.22329 -25.534 -15.4514 TIMING: 1064600 CPU: 3363.84, 0.00314905/step Wall: 3363.84, 0.00314905/step, 3.44244 hours remaining, 232.484375 MB of memory in use. ENERGY: 1064600 4037.8994 20570.4359 14473.5249 255.7090 -202926.3780 2400.1836 0.0000 0.0000 52092.4463 -109096.1789 299.3760 -161188.6252 -108724.1529 299.3802 -157.5828 -123.5934 762490.1176 -14.1938 -14.3599 PRESSURE: 1064800 74.9627 53.7785 138.695 53.7796 -327.394 285.757 138.694 285.758 -114.013 GPRESSURE: 1064800 144.714 92.8178 223.112 74.1384 -305.369 284.161 100.016 106.884 -116.279 PRESSAVG: 1064800 -5.58048 -17.044 -15.5201 -17.044 -18.4246 -0.916776 -15.52 -0.916752 6.33214 GPRESSAVG: 1064800 -5.52424 -15.5965 -15.4835 -19.9257 -19.1054 -1.90283 -15.5281 -3.60024 6.647 TIMING: 1064800 CPU: 3364.47, 0.00316717/step Wall: 3364.47, 0.00316717/step, 3.46207 hours remaining, 232.484375 MB of memory in use. ENERGY: 1064800 3955.9766 20584.7195 14523.0008 219.9369 -202847.1340 2359.5594 0.0000 0.0000 52120.3101 -109083.6308 299.5361 -161203.9409 -108718.0565 299.3744 -122.1483 -92.3114 762686.3375 -5.8910 -5.9942 PRESSURE: 1065000 -153.106 131.417 -149.439 131.418 -124.699 15.1897 -149.44 15.1899 -396.145 GPRESSURE: 1065000 -148.656 176.592 -195.86 65.5217 -67.9906 69.8202 -147.607 137.041 -375.388 PRESSAVG: 1065000 33.0311 1.15954 7.21859 1.15949 -31.526 27.6785 7.21856 27.6786 -33.3744 GPRESSAVG: 1065000 32.9814 0.0217049 8.26514 3.06326 -31.2901 26.9461 5.75455 29.2475 -33.0779 TIMING: 1065000 CPU: 3365.11, 0.00318409/step Wall: 3365.11, 0.00318409/step, 3.48038 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065000 3995.2697 20510.6103 14503.8982 229.5049 -203041.2791 2588.0085 0.0000 0.0000 52014.0454 -109199.9422 298.9254 -161213.9876 -108842.4224 298.9794 -224.6501 -197.3449 764575.8340 -10.6231 -10.4622 PRESSURE: 1065200 -98.475 13.621 -42.4734 13.6195 46.5817 117.321 -42.4737 117.321 112.226 GPRESSURE: 1065200 -27.5497 13.911 32.5464 -7.38433 57.879 83.2748 -34.5965 81.4688 125.648 PRESSAVG: 1065200 9.40511 -4.77116 -22.28 -4.77115 29.4209 -13.1641 -22.28 -13.1642 -1.20105 GPRESSAVG: 1065200 9.33789 -4.59599 -24.3577 -6.49573 30.4834 -11.4959 -20.5044 -14.7625 -2.47475 TIMING: 1065200 CPU: 3365.74, 0.00316222/step Wall: 3365.74, 0.00316222/step, 3.45631 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065200 3938.5155 20355.9656 14527.0996 242.1844 -202859.4146 2437.3789 0.0000 0.0000 52042.0950 -109316.1755 299.0866 -161358.2705 -108958.0143 299.1171 20.1110 51.9926 761855.4367 12.5416 12.4489 PRESSURE: 1065400 -47.8968 -104.178 -23.0124 -104.177 -166.63 22.3318 -23.0127 22.331 -250.064 GPRESSURE: 1065400 72.5305 -90.3863 -49.0155 -68.7602 -166.583 66.0562 14.8084 24.3476 -303.036 PRESSAVG: 1065400 24.8273 6.25373 -3.90176 6.25371 -29.0944 18.0452 -3.90179 18.0453 11.097 GPRESSAVG: 1065400 25.9229 8.33264 -1.6098 5.92208 -29.6116 16.1497 -6.63036 19.8208 10.9525 TIMING: 1065400 CPU: 3366.38, 0.00317154/step Wall: 3366.38, 0.00317154/step, 3.46631 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065400 4000.6168 20503.1556 14466.3644 250.1308 -203214.3376 2563.8827 0.0000 0.0000 51976.5411 -109453.6461 298.7099 -161430.1872 -109094.6330 299.1054 -154.8635 -132.3629 762621.9454 2.2766 2.4213 PRESSURE: 1065600 90.216 144.964 87.6319 144.964 259.499 176.743 87.6311 176.742 -286.278 GPRESSURE: 1065600 158.505 20.5262 32.61 -3.57068 216.277 130.112 76.2466 97.3688 -201.834 PRESSAVG: 1065600 16.4597 18.7717 7.46221 18.7717 -23.9946 -25.5927 7.46221 -25.5927 4.08081 GPRESSAVG: 1065600 15.7254 15.8067 5.67219 18.9176 -24.1592 -23.6508 9.95109 -26.9054 5.08201 TIMING: 1065600 CPU: 3367.01, 0.00319036/step Wall: 3367.01, 0.00319036/step, 3.48671 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065600 3978.9928 20552.3606 14372.3259 249.6604 -202932.3072 2383.1199 0.0000 0.0000 51936.2427 -109459.6048 298.4783 -161395.8476 -109108.2839 298.5054 21.1457 57.6495 763366.7203 -1.1513 -1.1173 PRESSURE: 1065800 -190.153 31.5327 -102.284 31.5327 78.5265 -10.5909 -102.284 -10.5899 -68.3929 GPRESSURE: 1065800 -236.079 55.3283 -170.238 -48.3712 167.662 -95.7108 -61.5435 66.5205 -23.4852 PRESSAVG: 1065800 -37.132 18.0644 40.0046 18.0644 77.0191 -16.6809 40.0047 -16.6809 -7.90725 GPRESSAVG: 1065800 -36.655 18.6104 40.4955 18.1584 77.0775 -17.6085 39.8382 -16.5109 -8.38015 TIMING: 1065800 CPU: 3367.65, 0.00317317/step Wall: 3367.65, 0.00317317/step, 3.46775 hours remaining, 232.484375 MB of memory in use. ENERGY: 1065800 3905.8794 20614.7658 14472.7389 266.2336 -202884.6979 2469.0049 0.0000 0.0000 51886.3418 -109269.7334 298.1915 -161156.0753 -108911.9004 299.0533 -60.0065 -30.6341 763639.5004 10.6600 10.6808 PRESSURE: 1066000 194.217 205.829 375.064 205.829 213.841 8.84895 375.064 8.8495 147.298 GPRESSURE: 1066000 188.771 223.09 395.384 140.693 281.341 -20.8684 379.131 6.90574 188.361 PRESSAVG: 1066000 19.8133 -9.20393 -22.1495 -9.20394 21.8987 12.5389 -22.1495 12.5388 13.7438 GPRESSAVG: 1066000 17.9729 -7.2127 -21.6766 -8.30552 22.5466 11.4651 -22.94 11.9194 15.4837 TIMING: 1066000 CPU: 3368.28, 0.00317222/step Wall: 3368.28, 0.00317222/step, 3.46653 hours remaining, 232.484375 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: 1066000 3993.3041 20377.3984 14442.9802 258.6222 -203541.3971 2852.2686 0.0000 0.0000 52443.3404 -109173.4833 301.3926 -161616.8236 -108805.6979 299.2926 185.1185 219.4911 762987.2072 18.4852 18.6678 PRESSURE: 1066200 292.336 -29.1191 -103.737 -29.1185 -343.872 -9.65167 -103.737 -9.65134 179.522 GPRESSURE: 1066200 317.75 -91.6051 -77.1261 -166.048 -263.002 -15.9681 -118.939 -43.1833 145.112 PRESSAVG: 1066200 15.383 -26.8373 30.9494 -26.8374 47.7164 38.6117 30.9495 38.6117 -9.09814 GPRESSAVG: 1066200 16.9978 -27.51 32.7903 -28.8243 46.7855 39.7943 30.9596 40.3197 -10.0079 TIMING: 1066200 CPU: 3368.92, 0.00315974/step Wall: 3368.92, 0.00315974/step, 3.45272 hours remaining, 232.484375 MB of memory in use. ENERGY: 1066200 3956.6458 20611.0069 14413.6664 264.7863 -202886.0455 2354.5075 0.0000 0.0000 52167.0268 -109118.4057 299.8046 -161285.4325 -108761.0356 299.8163 42.6621 66.6200 762608.0426 18.0004 17.9251 PRESSURE: 1066400 -303.68 -101.212 -16.8694 -101.212 -159.445 -88.6633 -16.8696 -88.6638 -163.385 GPRESSURE: 1066400 -255.004 -142.685 -59.7921 -106.861 -138.438 -182.316 -95.7262 -83.3583 -155.651 PRESSAVG: 1066400 27.9662 -62.4335 83.4298 -62.4334 -33.8908 49.435 83.4298 49.435 -1.28305 GPRESSAVG: 1066400 27.4447 -64.1747 80.594 -60.665 -33.7767 51.2337 81.9329 47.609 -1.03125 TIMING: 1066400 CPU: 3369.55, 0.00315133/step Wall: 3369.55, 0.00315133/step, 3.44335 hours remaining, 232.484375 MB of memory in use. ENERGY: 1066400 3936.8638 20612.5347 14511.8593 253.0755 -203087.5656 2741.5162 0.0000 0.0000 51842.5108 -109189.2053 297.9396 -161031.7161 -108834.2362 299.3218 -208.8365 -183.0309 765193.4010 -2.4025 -2.4544 PRESSURE: 1066600 -311.495 301.744 -76.5159 301.744 -80.9412 231.399 -76.5158 231.4 -8.1839 GPRESSURE: 1066600 -297.387 179.306 -69.3341 192.49 -37.1385 224.853 69.2251 183.275 18.4421 PRESSAVG: 1066600 -20.6937 -51.2757 8.21747 -51.2757 22.4861 14.5215 8.21752 14.5216 1.35102 GPRESSAVG: 1066600 -21.1318 -52.5021 9.52907 -51.9149 23.1052 13.4381 10.6987 14.1793 1.53355 TIMING: 1066600 CPU: 3370.17, 0.003139/step Wall: 3370.17, 0.003139/step, 3.42971 hours remaining, 232.484375 MB of memory in use. ENERGY: 1066600 4017.0684 20599.4216 14484.2536 239.2008 -203123.3391 2540.7101 0.0000 0.0000 52190.2428 -109052.4418 299.9380 -161242.6846 -108692.5863 299.8079 -133.5402 -105.3613 763384.2592 1.0478 1.1690 PRESSURE: 1066800 -42.4547 21.4507 25.2688 21.4512 179.797 -81.2809 25.2683 -81.2806 -49.1157 GPRESSURE: 1066800 52.1998 36.8015 19.7088 39.7129 116.5 -35.2716 25.6914 -39.2746 -10.0743 PRESSAVG: 1066800 -1.70729 -42.3306 -12.3725 -42.3305 26.3971 -26.0048 -12.3725 -26.0049 8.42346 GPRESSAVG: 1066800 -1.49151 -38.2894 -11.5453 -44.2304 25.1136 -25.7304 -13.5907 -26.2609 9.42325 TIMING: 1066800 CPU: 3370.8, 0.00314266/step Wall: 3370.8, 0.00314266/step, 3.43354 hours remaining, 232.484375 MB of memory in use. ENERGY: 1066800 4028.8598 20616.6204 14529.9440 238.7873 -203104.6795 2742.9998 0.0000 0.0000 52044.9866 -108902.4815 299.1033 -160947.4681 -108548.5788 299.1431 29.4088 52.8753 764088.5857 11.0378 11.0151 PRESSURE: 1067000 -342.058 -101.608 266.38 -101.608 -292.045 76.5782 266.38 76.579 -486.593 GPRESSURE: 1067000 -358.125 -164.52 255.191 -106.958 -257.424 85.1963 136.764 142.368 -417.4 PRESSAVG: 1067000 -45.7615 -2.87987 -5.08848 -2.87985 26.0745 18.4368 -5.08846 18.4368 20.6952 GPRESSAVG: 1067000 -44.9112 -4.62973 -5.67129 -0.199695 26.7104 16.6944 -7.06017 20.3453 18.9751 TIMING: 1067000 CPU: 3371.44, 0.00316811/step Wall: 3371.44, 0.00316811/step, 3.46116 hours remaining, 232.484375 MB of memory in use. ENERGY: 1067000 4002.0990 20560.9871 14528.5874 219.9318 -203170.8960 2659.4120 0.0000 0.0000 52147.8121 -109052.0666 299.6942 -161199.8787 -108696.4993 299.2997 -373.5653 -344.3163 763717.5529 0.3361 0.2581 PRESSURE: 1067200 -239.107 81.0676 37.8107 81.0679 40.898 35.8208 37.8112 35.8206 6.0819 GPRESSURE: 1067200 -83.8677 7.69806 10.1889 -23.7573 -32.2308 57.8149 -5.06383 -80.2885 23.7574 PRESSAVG: 1067200 -29.5689 28.3794 -20.8518 28.3794 24.0518 43.3703 -20.8518 43.3702 -4.78522 GPRESSAVG: 1067200 -28.8676 28.2297 -20.7461 29.3471 23.3097 43.88 -18.3356 42.8606 -4.88313 TIMING: 1067200 CPU: 3372.07, 0.00315237/step Wall: 3372.07, 0.00315237/step, 3.44378 hours remaining, 232.484375 MB of memory in use. ENERGY: 1067200 3927.4530 20506.4303 14536.2160 246.8585 -203214.0354 2711.4013 0.0000 0.0000 52162.1255 -109123.5508 299.7765 -161285.6763 -108752.1338 299.2271 -64.0423 -30.7803 761992.6867 -3.4341 -3.4803 PRESSURE: 1067400 -42.2516 -204.607 -182.229 -204.607 32.2978 -74.0286 -182.229 -74.028 -136.499 GPRESSURE: 1067400 20.8072 -202.966 -207.787 -225.573 -14.2143 -74.6906 -115.836 -57.4795 -75.3311 PRESSAVG: 1067400 -20.4546 -32.9947 -23.9163 -32.9947 42.7744 20.2893 -23.9163 20.2893 -29.2653 GPRESSAVG: 1067400 -20.8767 -32.3061 -25.0413 -33.7142 42.8981 19.7524 -24.412 21.8985 -28.9819 TIMING: 1067400 CPU: 3372.69, 0.00313362/step Wall: 3372.69, 0.00313362/step, 3.42313 hours remaining, 232.484375 MB of memory in use. ENERGY: 1067400 3950.7230 20629.0810 14589.4738 250.4859 -203225.8207 2543.1212 0.0000 0.0000 52255.5778 -109007.3579 300.3135 -161262.9357 -108637.7954 300.1879 -48.8175 -22.9127 762797.6517 -2.3151 -2.3202 PRESSURE: 1067600 30.1773 -17.5544 117.2 -17.5546 36.0755 53.149 117.2 53.1496 -124.256 GPRESSURE: 1067600 98.4671 -20.1573 94.4688 -46.1634 16.3948 19.5003 259.756 -11.4361 -91.6789 PRESSAVG: 1067600 -46.1008 -16.4483 21.9618 -16.4483 59.9793 35.5494 21.9618 35.5494 15.8269 GPRESSAVG: 1067600 -46.7269 -15.8745 22.8322 -18.204 60.9158 36.5178 22.8502 33.6699 15.3038 TIMING: 1067600 CPU: 3373.32, 0.00312816/step Wall: 3373.32, 0.00312816/step, 3.41699 hours remaining, 232.484375 MB of memory in use. ENERGY: 1067600 4086.0336 20526.1005 14510.6033 254.6912 -203397.0490 2919.4685 0.0000 0.0000 52273.4561 -108826.6958 300.4163 -161100.1519 -108456.7599 299.8620 -19.3343 7.7277 763470.0878 9.9018 9.8309 PRESSURE: 1067800 27.8988 -64.8318 98.7192 -64.8316 44.7806 -51.2729 98.7184 -51.273 206.942 GPRESSURE: 1067800 77.2357 -62.8372 21.2183 36.7946 161.596 -120.148 78.2252 65.2034 140.571 PRESSAVG: 1067800 -43.4218 8.01431 14.6224 8.01435 7.5938 49.7938 14.6225 49.7939 6.49889 GPRESSAVG: 1067800 -43.7556 6.63976 14.892 9.37378 8.17827 49.934 14.8591 51.7174 6.14785 TIMING: 1067800 CPU: 3373.95, 0.00313102/step Wall: 3373.95, 0.00313102/step, 3.41995 hours remaining, 232.484375 MB of memory in use. ENERGY: 1067800 4044.2029 20537.3218 14507.7266 252.0415 -203052.9310 2645.4786 0.0000 0.0000 52006.3328 -109059.8267 298.8811 -161066.1596 -108694.3435 300.2215 93.2070 126.4676 764480.1529 -9.7764 -9.8098 PRESSURE: 1068000 225.978 242.14 -250.035 242.141 242.112 41.1415 -250.035 41.1414 91.5178 GPRESSURE: 1068000 186.885 276.831 -289.873 238.612 338.589 -3.53069 -177.739 -11.1482 117.334 PRESSAVG: 1068000 -33.5246 -35.8508 -18.1667 -35.8508 18.0991 -4.22797 -18.1667 -4.22799 -4.06666 GPRESSAVG: 1068000 -34.4158 -35.2005 -20.4092 -37.8381 18.6745 -3.10183 -16.7888 -6.74869 -3.40032 TIMING: 1068000 CPU: 3374.58, 0.00315107/step Wall: 3374.58, 0.00315107/step, 3.44167 hours remaining, 232.484375 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: 1068000 3998.3384 20335.8465 14557.7975 247.6396 -203072.5241 2767.7758 0.0000 0.0000 52071.2660 -109093.8603 299.2543 -161165.1263 -108724.9378 299.4719 186.5361 214.2696 763286.3037 -6.4974 -6.3805 PRESSURE: 1068200 -620.747 -88.5361 -171.931 -88.5363 -34.2048 30.7353 -171.93 30.7347 -40.3838 GPRESSURE: 1068200 -459.753 -131.801 -144.419 -18.7875 -117.81 17.342 -169.928 9.45852 -31.4741 PRESSAVG: 1068200 10.8046 -16.154 39.8928 -16.154 -20.2094 11.0577 39.8927 11.0577 -24.1148 GPRESSAVG: 1068200 12.1717 -15.1901 39.9207 -14.2928 -19.8837 11.2061 38.8197 12.865 -26.4933 TIMING: 1068200 CPU: 3375.21, 0.00315961/step Wall: 3375.21, 0.00315961/step, 3.45082 hours remaining, 232.484375 MB of memory in use. ENERGY: 1068200 4036.6486 20655.4563 14496.1898 231.9326 -203181.8789 2413.9503 0.0000 0.0000 52175.5345 -109172.1668 299.8535 -161347.7013 -108807.5801 300.0290 -231.7784 -203.0126 763124.4975 -11.1732 -11.4018 LDB: ============= START OF LOAD BALANCING ============== 3387.74 LDB: ============== END OF LOAD BALANCING =============== 3387.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3387.75 LDB: ============= START OF LOAD BALANCING ============== 3388.06 LDB: Largest compute 7042 load 0.034744 is 17.8% of average load 0.195215 LDB: Average compute 0.004408 is 2.3% of average load 0.195215 LDB: TIME 3388.07 LOAD: AVG 0.195215 MAX 0.220181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.816 MB LDB: TIME 3388.07 LOAD: AVG 0.195215 MAX 0.220181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: TIME 3388.07 LOAD: AVG 0.195215 MAX 0.217615 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.816 MB LDB: ============== END OF LOAD BALANCING =============== 3388.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3388.07 PRESSURE: 1068400 248.181 210.953 -8.91829 210.953 145.362 -54.9773 -8.91756 -54.9774 227.205 GPRESSURE: 1068400 258.609 224.069 41.9643 168.22 178.829 -27.3782 -114.775 -8.9988 264.165 PRESSAVG: 1068400 -27.0222 -29.9121 -74.0973 -29.9121 43.5643 -25.1889 -74.0973 -25.1888 16.9286 GPRESSAVG: 1068400 -27.4223 -30.6273 -71.634 -29.5776 42.0551 -25.4259 -76.6735 -27.7806 18.3188 TIMING: 1068400 CPU: 3375.86, 0.00325161/step Wall: 3375.86, 0.00325161/step, 3.55112 hours remaining, 233.304688 MB of memory in use. ENERGY: 1068400 3920.1888 20519.5281 14523.7035 224.1126 -203224.4864 2802.5245 0.0000 0.0000 51975.9021 -109258.5267 298.7062 -161234.4288 -108901.9703 300.0960 206.9158 233.8677 762769.7871 11.1569 10.9839 PRESSURE: 1068600 135.892 130.724 -57.543 130.724 263.31 212.765 -57.5431 212.765 65.0592 GPRESSURE: 1068600 119.512 140.743 -36.6807 28.6047 369.748 160.604 -224.567 274.41 63.7107 PRESSAVG: 1068600 -11.5411 -37.5297 -25.67 -37.5298 10.2869 18.594 -25.67 18.5941 -2.57339 GPRESSAVG: 1068600 -12.455 -37.3814 -27.261 -37.8459 11.6965 17.751 -25.0973 20.8876 -3.15686 TIMING: 1068600 CPU: 3376.49, 0.00318334/step Wall: 3376.49, 0.00318334/step, 3.47639 hours remaining, 233.507812 MB of memory in use. ENERGY: 1068600 3923.0591 20502.8285 14512.2290 245.1629 -203029.1303 2461.2828 0.0000 0.0000 52148.1429 -109236.4251 299.6961 -161384.5680 -108869.1264 299.0321 154.7536 184.3236 762131.0456 -1.2759 -1.3051 PRESSURE: 1068800 -69.7105 270.717 218.94 270.717 -86.3836 -95.3686 218.939 -95.3696 -327.565 GPRESSURE: 1068800 -128.762 178.468 180.034 289.69 10.7263 19.2538 218.907 -145.495 -251.333 PRESSAVG: 1068800 -8.44749 56.8461 -2.37922 56.8461 38.6777 16.9484 -2.37917 16.9483 11.3456 GPRESSAVG: 1068800 -8.45377 55.3832 0.191589 56.6319 38.2888 17.3109 -1.07659 17.6498 12.1116 TIMING: 1068800 CPU: 3377.13, 0.0031881/step Wall: 3377.13, 0.0031881/step, 3.48141 hours remaining, 233.507812 MB of memory in use. ENERGY: 1068800 4014.8261 20616.7930 14490.5206 240.1083 -203211.7117 2535.4165 0.0000 0.0000 52062.6745 -109251.3727 299.2049 -161314.0472 -108907.1461 299.2759 -161.2198 -123.1227 762228.6200 13.8586 13.9822 PRESSURE: 1069000 -213.528 6.13083 -21.9239 6.13136 -400.82 59.9603 -21.9243 59.96 -481.957 GPRESSURE: 1069000 -197.535 16.9757 -42.6644 -18.8395 -385.704 46.274 -147.68 29.5688 -433.383 PRESSAVG: 1069000 17.7194 -25.3525 70.7704 -25.3525 -25.0779 61.4064 70.7703 61.4064 9.90845 GPRESSAVG: 1069000 18.5978 -24.556 69.34 -23.484 -25.1153 61.7062 68.1742 61.5587 8.59099 TIMING: 1069000 CPU: 3377.77, 0.00318516/step Wall: 3377.77, 0.00318516/step, 3.47802 hours remaining, 233.507812 MB of memory in use. ENERGY: 1069000 4045.3977 20457.4241 14506.1267 253.1301 -203150.5685 2390.9606 0.0000 0.0000 52294.6330 -109202.8963 300.5380 -161497.5294 -108837.5273 299.5004 -365.4349 -338.8739 763189.4797 0.8500 0.6911 PRESSURE: 1069200 64.6811 -22.1323 -32.0442 -22.133 169.416 -146.055 -32.0429 -146.054 -293.8 GPRESSURE: 1069200 50.6573 -44.4408 -32.9689 -133.591 211.764 -150.746 82.4655 -96.2772 -251.929 PRESSAVG: 1069200 -38.6537 -8.48402 -3.29687 -8.48392 50.3154 37.1309 -3.29675 37.1309 11.8241 GPRESSAVG: 1069200 -39.0447 -8.40566 -3.00638 -10.7166 50.604 37.5447 -1.83305 36.2878 11.6839 TIMING: 1069200 CPU: 3378.41, 0.00319575/step Wall: 3378.41, 0.00319575/step, 3.48941 hours remaining, 233.507812 MB of memory in use. ENERGY: 1069200 4021.7700 20434.6915 14579.0527 242.8227 -203251.3084 2702.0774 0.0000 0.0000 51957.6714 -109313.2227 298.6015 -161270.8942 -108954.8638 299.1855 -19.9009 3.4973 763190.3393 7.8286 7.7477 PRESSURE: 1069400 -150.583 -124.385 -75.4428 -124.385 -245.109 128.849 -75.4432 128.849 -452.458 GPRESSURE: 1069400 -122.923 -62.0242 -60.3638 -67.8295 -146.555 231.772 -53.8684 111.7 -477.452 PRESSAVG: 1069400 -9.58006 -23.5308 -3.84606 -23.5308 -8.47215 47.8962 -3.84614 47.8962 7.2104 GPRESSAVG: 1069400 -9.91246 -24.1573 -3.56971 -22.3699 -9.66619 46.2297 -2.51221 49.1721 8.58235 TIMING: 1069400 CPU: 3379.04, 0.0031669/step Wall: 3379.04, 0.0031669/step, 3.45772 hours remaining, 233.507812 MB of memory in use. ENERGY: 1069400 3933.9056 20660.5704 14532.9301 247.8375 -203257.7791 2672.6580 0.0000 0.0000 52039.5966 -109170.2809 299.0723 -161209.8775 -108824.7152 299.4460 -282.7167 -248.9766 761703.6889 -3.6139 -3.6654 PRESSURE: 1069600 303.986 45.2148 -2.58188 45.214 151.189 -69.0032 -2.58129 -69.0032 147.57 GPRESSURE: 1069600 346.674 15.8751 -74.5546 121.812 148.448 65.3492 2.27434 -7.41488 187.372 PRESSAVG: 1069600 -25.4419 14.1768 -5.48335 14.1768 13.3437 -2.81746 -5.48342 -2.81744 2.80213 GPRESSAVG: 1069600 -24.7142 14.6096 -4.51546 13.1819 15.1121 -0.278832 -7.18827 -4.28063 1.05671 TIMING: 1069600 CPU: 3379.67, 0.00315929/step Wall: 3379.67, 0.00315929/step, 3.44924 hours remaining, 233.507812 MB of memory in use. ENERGY: 1069600 3909.3283 20326.0033 14501.3555 254.3144 -203287.3181 2973.5973 0.0000 0.0000 52122.3876 -109200.3316 299.5481 -161322.7193 -108833.4898 299.5743 200.9151 227.4982 761873.0251 -3.0987 -2.8484 PRESSURE: 1069800 -181.652 -108.941 102.868 -108.941 38.7553 -123.403 102.867 -123.402 -99.5901 GPRESSURE: 1069800 -127.604 -180.934 73.2026 -138.762 43.92 -108.078 -33.3075 -9.16803 -76.4174 PRESSAVG: 1069800 -41.311 -39.0668 18.0983 -39.0668 63.0676 -16.2569 18.0983 -16.2568 -8.02661 GPRESSAVG: 1069800 -42.388 -37.2435 15.4355 -39.2543 62.3872 -18.8521 19.0735 -13.491 -6.27292 TIMING: 1069800 CPU: 3380.31, 0.00316771/step Wall: 3380.31, 0.00316771/step, 3.45826 hours remaining, 233.507812 MB of memory in use. ENERGY: 1069800 3936.5393 20419.0032 14559.9594 237.0931 -202663.3652 2410.8303 0.0000 0.0000 51984.6090 -109115.3309 298.7563 -161099.9399 -108752.9387 299.2069 -80.8290 -53.3673 764655.5839 4.5767 4.5754 PRESSURE: 1070000 -216.511 -133.956 327.283 -133.956 -11.6648 -91.7402 327.283 -91.7407 -167.453 GPRESSURE: 1070000 -183.423 52.0577 288.902 -167.158 20.7999 -96.4364 354.424 -133.157 -142.152 PRESSAVG: 1070000 -22.2748 -92.665 15.3728 -92.6649 1.23964 -24.3681 15.3729 -24.3681 -7.01377 GPRESSAVG: 1070000 -22.6561 -94.1188 14.7676 -91.7147 2.21426 -23.7563 16.9723 -25.9057 -7.45913 TIMING: 1070000 CPU: 3380.94, 0.00315764/step Wall: 3380.94, 0.00315764/step, 3.44709 hours remaining, 233.507812 MB of memory 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 4059.0480 20427.2377 14544.4325 262.7212 -203138.5148 2703.5415 0.0000 0.0000 52040.4343 -109101.0996 299.0771 -161141.5339 -108743.9894 299.1147 -131.8764 -101.5916 761566.7675 -9.3497 -9.3003 PRESSURE: 1070200 -21.7339 49.6378 61.678 49.6377 -250.675 84.3533 61.6783 84.3543 -98.2809 GPRESSURE: 1070200 -43.5916 113.561 -5.11153 13.9931 -184.951 29.2214 -36.9023 126.961 -54.0435 PRESSAVG: 1070200 0.183504 -5.97081 -20.6546 -5.97085 6.82634 -17.6582 -20.6546 -17.6582 3.15041 GPRESSAVG: 1070200 1.04611 -6.19775 -20.1877 -5.78227 5.95263 -17.707 -22.9648 -16.5607 3.5217 TIMING: 1070200 CPU: 3381.57, 0.00317148/step Wall: 3381.57, 0.00317148/step, 3.46202 hours remaining, 233.507812 MB of memory in use. ENERGY: 1070200 3915.3303 20511.6380 14472.7284 242.9153 -202793.1301 2618.9854 0.0000 0.0000 52340.3531 -108691.1796 300.8007 -161031.5327 -108335.0486 299.7569 -123.5634 -94.1953 764106.7538 3.3868 3.5068 PRESSURE: 1070400 264.852 157.283 72.2417 157.283 403.118 -184.8 72.2413 -184.8 -18.8183 GPRESSURE: 1070400 246.795 35.2378 95.5383 104.629 431.512 -70.5202 33.5578 -155.989 55.8391 PRESSAVG: 1070400 -11.1247 2.57748 8.92549 2.57742 -21.0865 -8.87885 8.92549 -8.87887 14.442 GPRESSAVG: 1070400 -11.6841 1.91759 10.1765 4.02728 -20.2218 -8.36548 9.3101 -9.86746 13.681 TIMING: 1070400 CPU: 3382.21, 0.00319131/step Wall: 3382.21, 0.00319131/step, 3.48349 hours remaining, 233.507812 MB of memory in use. ENERGY: 1070400 3869.6172 20423.5678 14554.7826 235.5842 -202901.4266 2658.8202 0.0000 0.0000 52250.7893 -108908.2653 300.2860 -161159.0546 -108534.8529 299.7539 216.3839 244.7153 765354.9542 -5.9231 -6.0750 PRESSURE: 1070600 -151.947 -135.242 -9.25605 -135.242 244.25 131.326 -9.2553 131.326 132.293 GPRESSURE: 1070600 -34.7987 -140.468 64.7437 -74.4732 259.869 78.6233 52.793 269.703 77.4806 PRESSAVG: 1070600 11.7417 -80.0331 -12.0052 -80.0331 61.7132 -12.3353 -12.0052 -12.3353 -10.1977 GPRESSAVG: 1070600 12.4589 -78.6896 -12.451 -83.7563 61.3699 -12.2244 -11.7792 -11.6571 -10.507 TIMING: 1070600 CPU: 3382.84, 0.00316776/step Wall: 3382.84, 0.00316776/step, 3.45761 hours remaining, 233.507812 MB of memory in use. ENERGY: 1070600 3870.3662 20563.8487 14530.2579 237.3083 -202773.5832 2672.8368 0.0000 0.0000 51906.9810 -108991.9842 298.3101 -160898.9652 -108635.4667 299.1915 74.8652 100.8502 764339.2143 21.0857 21.1072 PRESSURE: 1070800 -314.224 15.1787 -110.911 15.1797 -357.177 -154.331 -110.911 -154.332 -172.592 GPRESSURE: 1070800 -196.472 106.934 -36.1577 19.6695 -363.997 -237.899 -34.6159 -182.524 -205.735 PRESSAVG: 1070800 20.9364 15.9309 -50.0684 15.931 -19.4719 -20.0079 -50.0684 -20.008 0.0970547 GPRESSAVG: 1070800 22.4188 16.3822 -49.1616 17.7211 -21.2371 -20.9893 -49.7253 -20.3608 0.333286 TIMING: 1070800 CPU: 3383.48, 0.00318624/step Wall: 3383.48, 0.00318624/step, 3.47761 hours remaining, 233.507812 MB of memory in use. ENERGY: 1070800 3940.9703 20442.0692 14494.1358 250.2740 -202692.4508 2444.4308 0.0000 0.0000 52268.0305 -108852.5401 300.3851 -161120.5707 -108487.4894 299.8303 -281.3306 -255.4014 764626.3023 0.5205 0.5050 PRESSURE: 1071000 -19.5274 20.5131 62.2005 20.513 126.239 -2.36163 62.2017 -2.36163 -574.481 GPRESSURE: 1071000 -55.9811 34.5659 -54.2946 25.5219 138.567 -26.6972 94.4035 44.3084 -468.659 PRESSAVG: 1071000 21.4703 40.2988 17.6537 40.2989 3.01639 -4.84658 17.6536 -4.84652 -9.24993 GPRESSAVG: 1071000 19.9558 41.2776 16.4438 41.5381 2.8677 -3.25965 17.0238 -7.98265 -7.37839 TIMING: 1071000 CPU: 3384.12, 0.0031879/step Wall: 3384.12, 0.0031879/step, 3.47924 hours remaining, 233.507812 MB of memory in use. ENERGY: 1071000 3977.2432 20593.7887 14435.9622 245.6777 -202891.3593 2632.5651 0.0000 0.0000 52304.2142 -108701.9081 300.5930 -161006.1224 -108341.5496 299.9002 -155.9232 -128.6910 764404.3801 5.0789 5.1484 PRESSURE: 1071200 -40.2441 43.2579 -21.1898 43.2584 -81.5329 122.209 -21.1897 122.208 482.048 GPRESSURE: 1071200 -50.3172 68.5573 18.0747 112.594 37.5111 119.094 -157.867 243.191 464.2 PRESSAVG: 1071200 -39.6386 -23.8864 41.2981 -23.8864 48.1995 -37.6154 41.2981 -37.6155 19.516 GPRESSAVG: 1071200 -40.5232 -24.5163 41.8917 -23.6361 50.0244 -38.373 42.261 -33.9754 18.7152 TIMING: 1071200 CPU: 3384.75, 0.00316795/step Wall: 3384.75, 0.00316796/step, 3.4573 hours remaining, 233.507812 MB of memory in use. ENERGY: 1071200 3955.2345 20446.5019 14531.8709 263.4863 -203293.8112 2839.5406 0.0000 0.0000 52359.5658 -108897.6113 300.9111 -161257.1770 -108543.8748 300.1938 120.0903 150.4646 762108.6449 9.3590 9.4054 PRESSURE: 1071400 -113.63 -136.022 -80.9441 -136.022 -9.47015 13.7909 -80.9441 13.7915 -137.968 GPRESSURE: 1071400 -57.6389 -96.2529 -95.401 -10.1955 -15.2801 58.6333 52.2622 -117.228 -105.389 PRESSAVG: 1071400 4.24834 -22.5294 56.2101 -22.5294 25.7403 15.4301 56.2101 15.4302 -1.40687 GPRESSAVG: 1071400 4.4755 -22.8078 56.0162 -25.449 25.1608 16.4832 55.1382 14.6114 -0.932323 TIMING: 1071400 CPU: 3385.39, 0.00318045/step Wall: 3385.39, 0.00318045/step, 3.47075 hours remaining, 233.507812 MB of memory in use. ENERGY: 1071400 4046.8058 20692.9665 14391.0351 251.8526 -203272.2858 2804.0736 0.0000 0.0000 52153.2828 -108932.2694 299.7256 -161085.5521 -108576.8525 300.5726 -87.0230 -59.4358 763101.0039 9.5272 9.5680 PRESSURE: 1071600 60.6115 53.1871 221.093 53.187 -198.823 -116.802 221.093 -116.802 -305.301 GPRESSURE: 1071600 67.4003 57.2573 150.816 -28.39 -98.364 -238.889 240.297 -100.419 -316.779 PRESSAVG: 1071600 -2.51651 27.5924 44.7046 27.5924 20.0218 38.8394 44.7046 38.8393 8.1597 GPRESSAVG: 1071600 -3.06253 29.5834 43.9073 27.871 20.395 35.6453 46.3643 39.3403 8.18126 TIMING: 1071600 CPU: 3386.02, 0.0031684/step Wall: 3386.02, 0.0031684/step, 3.45743 hours remaining, 233.507812 MB of memory in use. ENERGY: 1071600 4071.7243 20671.7888 14452.1172 235.9291 -202811.5232 2322.6687 0.0000 0.0000 52131.2878 -108926.0074 299.5992 -161057.2951 -108567.5643 299.9628 -147.8375 -115.9143 762628.6491 8.5550 8.5046 PRESSURE: 1071800 174.794 191.316 -91.094 191.316 127.855 -117.064 -91.094 -117.063 -44.8686 GPRESSURE: 1071800 134.01 54.8807 -186.531 162.441 170.892 -152.755 -64.9605 -27.7624 58.028 PRESSAVG: 1071800 -24.2844 58.4842 32.8143 58.4841 23.8452 9.8488 32.8143 9.84882 -0.484817 GPRESSAVG: 1071800 -23.4485 54.9424 33.5245 59.4135 23.9442 11.9594 31.547 10.1132 -1.88664 TIMING: 1071800 CPU: 3386.66, 0.0031859/step Wall: 3386.66, 0.0031859/step, 3.47635 hours remaining, 233.507812 MB of memory in use. ENERGY: 1071800 4035.0079 20451.3229 14596.7823 222.6026 -203189.7881 2608.9482 0.0000 0.0000 52030.3935 -109244.7308 299.0194 -161275.1243 -108883.8168 299.5540 85.9266 120.9765 763205.6908 -0.3080 -0.4637 PRESSURE: 1072000 -927.849 -143.443 -43.5288 -143.444 -181.616 -199.806 -43.5285 -199.805 -55.0036 GPRESSURE: 1072000 -820.172 -206.188 5.88658 -234.363 -174.012 -181.417 -43.4464 -174.343 -82.5052 PRESSAVG: 1072000 -41.327 24.7632 -18.7546 24.7632 14.9463 -67.811 -18.7546 -67.811 0.0196025 GPRESSAVG: 1072000 -41.5314 27.2904 -17.5777 23.8945 15.0987 -67.1937 -19.1415 -70.2335 0.401664 TIMING: 1072000 CPU: 3387.29, 0.00316381/step Wall: 3387.29, 0.00316381/step, 3.45207 hours remaining, 233.507812 MB of memory 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 4081.7495 20559.8569 14489.4724 249.3018 -203097.7070 2581.9164 0.0000 0.0000 51951.7303 -109183.6797 298.5673 -161135.4100 -108815.9675 299.1912 -388.1562 -358.8964 763578.3030 -8.7870 -8.6770 PRESSURE: 1072200 -82.544 -104.431 33.7596 -104.432 -311.404 149.25 33.759 149.25 -438.41 GPRESSURE: 1072200 -100.894 -79.4291 120.882 -88.4419 -179.873 149.653 -37.8914 243.99 -475.562 PRESSAVG: 1072200 -26.4837 -26.4727 12.2029 -26.4727 64.2144 62.7781 12.203 62.7781 -3.69378 GPRESSAVG: 1072200 -26.0163 -27.3977 10.1865 -25.671 63.5346 61.7525 13.0592 65.4292 -3.47868 TIMING: 1072200 CPU: 3387.92, 0.00315793/step Wall: 3387.92, 0.00315793/step, 3.44548 hours remaining, 233.507812 MB of memory in use. ENERGY: 1072200 3939.9414 20435.7969 14552.1285 267.9241 -202659.4826 2185.3123 0.0000 0.0000 51986.5886 -109291.7908 298.7676 -161278.3793 -108935.0395 299.2305 -277.4527 -252.1096 761315.1448 11.3456 11.3465 LDB: ============= START OF LOAD BALANCING ============== 3400.45 LDB: ============== END OF LOAD BALANCING =============== 3400.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3400.46 LDB: ============= START OF LOAD BALANCING ============== 3400.77 LDB: Largest compute 7042 load 0.033414 is 17.1% of average load 0.195265 LDB: Average compute 0.004391 is 2.2% of average load 0.195265 LDB: TIME 3400.77 LOAD: AVG 0.195265 MAX 0.216808 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.566 MB LDB: TIME 3400.77 LOAD: AVG 0.195265 MAX 0.216808 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.625 MB LDB: TIME 3400.77 LOAD: AVG 0.195265 MAX 0.216808 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.625 MB LDB: ============== END OF LOAD BALANCING =============== 3400.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3400.78 PRESSURE: 1072400 -270.939 -55.1735 64.2389 -55.1738 16.8664 249.604 64.2396 249.606 -42.5856 GPRESSURE: 1072400 -200.759 -189.237 106.106 -29.2109 -9.31699 253.572 107.422 157.141 -2.83913 PRESSAVG: 1072400 -18.8165 5.6504 16.4995 5.65033 -9.20081 5.84641 16.4995 5.84648 -6.80229 GPRESSAVG: 1072400 -19.4672 4.98891 17.5239 6.22251 -9.43721 6.20869 15.1299 5.91824 -6.17981 TIMING: 1072400 CPU: 3388.56, 0.00319721/step Wall: 3388.56, 0.00319721/step, 3.48815 hours remaining, 233.378906 MB of memory in use. ENERGY: 1072400 3900.9568 20608.0496 14452.5008 254.3743 -203011.8367 2529.9779 0.0000 0.0000 52195.0856 -109070.8918 299.9659 -161265.9774 -108706.1367 299.3640 -98.8862 -70.9718 762542.9298 -11.6065 -11.6947 PRESSURE: 1072600 8.09026 71.6049 -145.076 71.6052 17.0714 -178.453 -145.076 -178.452 -297.792 GPRESSURE: 1072600 -69.4991 125.926 -164.937 57.161 116.041 -124.064 -85.4917 -215.573 -218.35 PRESSAVG: 1072600 13.5905 -22.4081 -39.0041 -22.4081 62.4323 13.4185 -39.004 13.4184 -7.15932 GPRESSAVG: 1072600 14.5218 -22.0107 -39.5345 -23.6848 62.1874 14.981 -38.52 10.5779 -7.27331 TIMING: 1072600 CPU: 3389.19, 0.00312868/step Wall: 3389.19, 0.00312868/step, 3.41322 hours remaining, 233.445312 MB of memory in use. ENERGY: 1072600 3976.0808 20496.7424 14543.9987 251.4873 -203271.6031 2749.7759 0.0000 0.0000 52432.7371 -108820.7808 301.3317 -161253.5180 -108449.0895 299.8678 -90.8767 -57.2695 761480.0020 22.9545 23.1453 PRESSURE: 1072800 -209.502 13.2854 230.532 13.2853 -76.9948 -175.278 230.532 -175.278 108.538 GPRESSURE: 1072800 -85.0938 63.7209 182.314 31.1937 -66.6642 -136.322 215.665 -94.0144 83.5808 PRESSAVG: 1072800 36.6378 22.92 -50.3894 22.9201 -11.5838 31.1948 -50.3894 31.1948 -20.0147 GPRESSAVG: 1072800 36.142 23.7224 -50.9453 22.5335 -10.1714 28.8618 -49.0681 36.8824 -20.2221 TIMING: 1072800 CPU: 3389.82, 0.00314665/step Wall: 3389.82, 0.00314665/step, 3.43264 hours remaining, 233.445312 MB of memory in use. ENERGY: 1072800 3958.9969 20551.7470 14504.7807 253.6995 -202725.1996 2371.5703 0.0000 0.0000 52289.7195 -108794.6858 300.5097 -161084.4053 -108429.5643 300.1940 -59.3195 -22.7258 761055.3860 1.6797 1.9162 PRESSURE: 1073000 -260.327 -166.468 -125.808 -166.469 -88.218 -63.2548 -125.808 -63.2548 -96.1489 GPRESSURE: 1073000 -311.976 -160.911 -200.063 -118.623 -44.5945 -126.928 -170.936 -33.0033 -1.82084 PRESSAVG: 1073000 -46.7502 -26.7542 -13.6533 -26.7541 71.1259 31.2565 -13.6534 31.2564 -3.64863 GPRESSAVG: 1073000 -47.0505 -27.1241 -13.4945 -27.7765 71.3919 32.0661 -17.0339 27.8611 -3.7142 TIMING: 1073000 CPU: 3390.45, 0.00314566/step Wall: 3390.45, 0.00314566/step, 3.43139 hours remaining, 233.445312 MB of memory in use. ENERGY: 1073000 3931.5512 20664.9812 14513.1228 258.6375 -202992.3660 2400.2261 0.0000 0.0000 52272.3711 -108951.4760 300.4100 -161223.8471 -108584.4159 300.3590 -148.2314 -119.4639 761285.7829 6.9090 6.8757 PRESSURE: 1073200 -262.848 117.367 -95.1747 117.367 172.052 367.522 -95.174 367.523 172.662 GPRESSURE: 1073200 -162.836 167.721 -63.3115 177.873 104.171 331.107 -71.3341 299.845 216.767 PRESSAVG: 1073200 -31.807 13.3357 -6.40568 13.3357 40.7785 65.4304 -6.40566 65.4303 1.48958 GPRESSAVG: 1073200 -32.335 12.8126 -6.19389 13.6574 40.9341 66.3941 -3.31157 63.2717 1.74271 TIMING: 1073200 CPU: 3391.08, 0.00316427/step Wall: 3391.08, 0.00316427/step, 3.45151 hours remaining, 233.445312 MB of memory in use. ENERGY: 1073200 3974.2487 20618.4855 14546.0727 237.6719 -203026.3449 2325.2581 0.0000 0.0000 52205.6571 -109118.9509 300.0266 -161324.6080 -108749.6110 299.7244 27.2884 52.7005 760617.5876 3.4870 3.4472 PRESSURE: 1073400 -42.6975 -49.9477 -56.691 -49.9476 24.0634 75.2453 -56.6915 75.2452 -114.099 GPRESSURE: 1073400 -44.7234 -21.1121 -100.537 39.9659 87.8596 -46.1939 1.6617 139.997 -80.2882 PRESSAVG: 1073400 -51.0913 22.3024 -18.8013 22.3024 54.6553 67.0814 -18.8013 67.0814 -28.1871 GPRESSAVG: 1073400 -49.5779 20.5204 -18.7467 24.6783 54.0007 65.8686 -19.4745 69.0559 -28.4939 TIMING: 1073400 CPU: 3391.71, 0.00316286/step Wall: 3391.71, 0.00316286/step, 3.4498 hours remaining, 233.445312 MB of memory in use. ENERGY: 1073400 3972.7707 20545.1244 14439.6862 237.9566 -202823.7736 2485.5911 0.0000 0.0000 51954.7456 -109187.8990 298.5846 -161142.6447 -108836.0292 300.0915 -44.2443 -12.3840 761867.8237 -8.2077 -8.0237 PRESSURE: 1073600 -327.685 -103.718 144.623 -103.718 -291.322 16.8855 144.622 16.8863 -43.5919 GPRESSURE: 1073600 -317.029 -109.193 120.059 -61.4866 -221.098 80.2301 198.484 -4.27031 -35.6974 PRESSAVG: 1073600 -50.6621 -15.0468 7.43559 -15.0469 41.0655 34.3901 7.43553 34.3901 1.51383 GPRESSAVG: 1073600 -52.0304 -13.576 7.82057 -14.8029 41.57 35.3552 8.33588 34.9709 2.80027 TIMING: 1073600 CPU: 3392.34, 0.00315324/step Wall: 3392.34, 0.00315324/step, 3.43914 hours remaining, 233.445312 MB of memory in use. ENERGY: 1073600 4002.9923 20715.6141 14490.0083 218.8612 -203025.1584 2543.6816 0.0000 0.0000 51781.0821 -109272.9189 297.5866 -161054.0010 -108916.2136 299.7308 -220.8665 -191.2747 762172.3829 -2.6943 -2.5534 PRESSURE: 1073800 -53.7571 -35.6894 62.9461 -35.6896 -131.06 214.997 62.9464 214.997 8.72949 GPRESSURE: 1073800 86.6525 55.0013 146.692 -20.4325 -105.739 132.344 -2.22013 139.267 -79.5753 PRESSAVG: 1073800 8.09416 35.3271 7.27973 35.3272 -19.6349 63.8955 7.27972 63.8954 3.42828 GPRESSAVG: 1073800 7.63739 36.2451 6.60796 32.1411 -18.993 62.8529 6.51907 62.4398 2.83512 TIMING: 1073800 CPU: 3392.98, 0.00317316/step Wall: 3392.98, 0.00317316/step, 3.46069 hours remaining, 233.445312 MB of memory in use. ENERGY: 1073800 4044.1909 20418.9464 14456.8296 238.8840 -203270.9615 2604.0794 0.0000 0.0000 52265.6536 -109242.3777 300.3714 -161508.0313 -108883.5094 299.5794 -58.6958 -32.8873 762173.5563 -2.7042 -2.8402 PRESSURE: 1074000 -395.477 -92.0015 -93.6993 -92.0012 -52.6433 36.2429 -93.6995 36.2438 -170.762 GPRESSURE: 1074000 -259.013 -51.7156 -110.695 13.7378 -76.0244 32.6726 -98.1559 -6.84657 -207.358 PRESSAVG: 1074000 -57.9378 -18.8907 -21.2127 -18.8906 5.06989 -15.0687 -21.2128 -15.0686 5.93202 GPRESSAVG: 1074000 -55.8777 -19.6587 -19.9788 -16.8669 4.61118 -15.929 -22.0411 -12.8646 4.7095 TIMING: 1074000 CPU: 3393.61, 0.00315587/step Wall: 3393.61, 0.00315587/step, 3.44165 hours remaining, 233.445312 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: 1074000 4007.2711 20503.5582 14561.2682 242.6159 -203200.1093 2569.3008 0.0000 0.0000 52108.0631 -109208.0321 299.4658 -161316.0952 -108847.4063 299.3252 -206.2943 -180.7986 764178.2468 -15.6453 -15.5190 PRESSURE: 1074200 -206.628 35.3138 -161.31 35.3137 -192.309 -42.0458 -161.31 -42.0461 91.4334 GPRESSURE: 1074200 -168.623 222.062 -144.74 -14.3769 -186.415 39.7784 -148.602 -64.2777 126.085 PRESSAVG: 1074200 -2.19515 -39.3723 -47.6376 -39.3723 16.2461 21.2517 -47.6376 21.2517 -25.4614 GPRESSAVG: 1074200 -2.20881 -38.2638 -47.8376 -39.3695 15.7607 23.4062 -47.006 18.6309 -25.4411 TIMING: 1074200 CPU: 3394.24, 0.00315442/step Wall: 3394.24, 0.00315442/step, 3.43989 hours remaining, 233.445312 MB of memory in use. ENERGY: 1074200 3998.1444 20434.3829 14544.4090 258.8430 -203707.0591 2750.7171 0.0000 0.0000 52458.7689 -109261.7938 301.4813 -161720.5627 -108884.6403 299.9761 -102.5011 -76.3179 762069.1370 -3.8035 -3.9631 PRESSURE: 1074400 -289.251 -242.321 -29.7279 -242.321 -64.2826 79.6241 -29.7287 79.6235 -63.2671 GPRESSURE: 1074400 -242.197 -213.772 -100.454 -208.122 8.28326 31.0538 -135.137 73.3228 -89.6149 PRESSAVG: 1074400 -54.5762 5.36091 -1.49283 5.36089 16.6553 -14.1905 -1.49282 -14.1905 2.97498 GPRESSAVG: 1074400 -56.0765 4.26487 -2.37405 5.28689 17.9166 -14.5114 -1.38241 -13.1197 3.19016 TIMING: 1074400 CPU: 3394.88, 0.00317475/step Wall: 3394.88, 0.00317475/step, 3.46189 hours remaining, 233.445312 MB of memory in use. ENERGY: 1074400 4061.0410 20440.3822 14549.4538 249.2257 -203303.2342 2631.1325 0.0000 0.0000 52230.8188 -109141.1802 300.1712 -161371.9990 -108772.0829 299.9881 -138.9335 -107.8429 761940.9569 -11.6486 -11.6566 PRESSURE: 1074600 -235.685 134.408 58.5803 134.408 123.4 58.5514 58.5804 58.5512 132.537 GPRESSURE: 1074600 -177.137 172.469 47.9808 77.8799 144.002 17.0506 104.593 103.309 136.684 PRESSAVG: 1074600 15.4935 -29.961 48.2991 -29.961 24.7924 -0.264672 48.2991 -0.264714 -4.24735 GPRESSAVG: 1074600 15.6157 -31.6865 49.4233 -29.0818 23.2943 -1.14571 48.6849 0.342772 -3.45128 TIMING: 1074600 CPU: 3395.51, 0.00315812/step Wall: 3395.51, 0.00315812/step, 3.44358 hours remaining, 233.445312 MB of memory in use. ENERGY: 1074600 4051.4863 20483.3886 14522.6933 237.1992 -203502.4633 2739.6887 0.0000 0.0000 52063.4722 -109404.5350 299.2095 -161468.0072 -109041.2278 299.8014 6.7505 34.5166 761391.6616 12.0129 11.8196 PRESSURE: 1074800 -142.574 106.117 195.54 106.116 197.969 36.8535 195.541 36.8535 50.9489 GPRESSURE: 1074800 -78.6486 102.82 220.982 178.128 208.855 33.1695 111.995 -11.5219 52.6075 PRESSAVG: 1074800 -68.6257 9.58396 23.0294 9.58394 64.9391 3.25913 23.0294 3.25903 7.66444 GPRESSAVG: 1074800 -69.6102 10.4241 22.8076 8.76903 65.4904 4.14579 23.1063 1.70911 7.30803 TIMING: 1074800 CPU: 3396.13, 0.0031362/step Wall: 3396.13, 0.0031362/step, 3.41951 hours remaining, 233.445312 MB of memory in use. ENERGY: 1074800 3961.5197 20697.8882 14441.9052 260.6781 -203374.5917 2570.9135 0.0000 0.0000 51979.8636 -109461.8233 298.7290 -161441.6870 -109096.7544 299.2812 35.4478 60.9379 761150.5175 1.3259 1.0627 PRESSURE: 1075000 46.1395 -75.9174 -37.8071 -75.9167 186.705 63.5951 -37.8071 63.5949 -80.2072 GPRESSURE: 1075000 163.255 -139.699 -7.82977 -80.6655 119.104 -3.41158 58.7337 104.296 -45.3791 PRESSAVG: 1075000 -53.8781 -42.0642 11.7996 -42.0642 24.9599 -44.166 11.7996 -44.1659 -3.12914 GPRESSAVG: 1075000 -54.1374 -41.9043 13.441 -41.0286 24.0498 -42.3911 10.1646 -43.6556 -1.99196 TIMING: 1075000 CPU: 3396.77, 0.00316062/step Wall: 3396.77, 0.00316062/step, 3.44595 hours remaining, 233.445312 MB of memory in use. ENERGY: 1075000 3979.1109 20373.6062 14449.6901 242.5982 -203508.5741 2872.8436 0.0000 0.0000 51963.2587 -109627.4665 298.6336 -161590.7252 -109261.5942 298.7857 50.8792 78.9933 762312.2734 -10.6825 -10.6932 PRESSURE: 1075200 250.656 107.741 80.067 107.742 282.88 -66.5758 80.0667 -66.5755 136.526 GPRESSURE: 1075200 304.154 21.5068 197.981 87.8748 369.055 -74.5583 17.1062 -90.6204 73.6049 PRESSAVG: 1075200 7.81816 -3.0016 4.97808 -3.00169 -5.45397 -70.127 4.97811 -70.127 6.71096 GPRESSAVG: 1075200 8.03246 -3.80585 1.56233 -5.99083 -4.99772 -71.4705 7.04477 -69.6708 6.17303 TIMING: 1075200 CPU: 3397.4, 0.00314844/step Wall: 3397.4, 0.00314844/step, 3.4325 hours remaining, 233.445312 MB of memory in use. ENERGY: 1075200 4008.8310 20431.0581 14481.3020 240.6891 -203820.4736 3037.7119 0.0000 0.0000 51958.9006 -109661.9810 298.6085 -161620.8816 -109297.9254 298.8137 223.3541 248.9378 761531.8294 3.0250 3.0693 PRESSURE: 1075400 -342.834 -9.1364 26.4771 -9.13588 -186.918 -68.076 26.4768 -68.0769 413.96 GPRESSURE: 1075400 -244.793 -82.72 79.4112 59.6537 -149.758 -6.13265 -82.6696 -34.8087 368.547 PRESSAVG: 1075400 -47.2976 -0.846119 -26.018 -0.846134 17.7745 -10.2668 -26.018 -10.2668 -3.10705 GPRESSAVG: 1075400 -47.0833 1.56416 -23.5064 1.26647 18.3205 -8.88933 -28.7233 -9.52295 -4.69248 TIMING: 1075400 CPU: 3398.03, 0.00315825/step Wall: 3398.03, 0.00315825/step, 3.44302 hours remaining, 233.445312 MB of memory in use. ENERGY: 1075400 3995.8946 20298.5073 14486.0698 231.5696 -203474.3528 2726.0803 0.0000 0.0000 52282.9404 -109453.2908 300.4708 -161736.2311 -109075.6796 298.6273 -38.5972 -8.6680 763708.1673 -10.8767 -11.1517 PRESSURE: 1075600 71.9728 41.0689 -234.472 41.0681 -111.538 117.558 -234.473 117.559 -63.5595 GPRESSURE: 1075600 68.8289 129.1 -220.604 10.5389 -100.904 103.993 -237.309 11.1755 -1.63075 PRESSAVG: 1075600 31.4302 -31.1235 17.8634 -31.1235 -23.3689 -8.07264 17.8634 -8.07259 32.4742 GPRESSAVG: 1075600 30.2383 -32.4778 16.8981 -33.1741 -23.3671 -7.69879 18.1756 -9.08306 33.8271 TIMING: 1075600 CPU: 3398.66, 0.00314851/step Wall: 3398.66, 0.00314851/step, 3.43222 hours remaining, 233.445312 MB of memory in use. ENERGY: 1075600 3998.1908 20337.6924 14488.7460 252.1606 -203158.7859 2597.8082 0.0000 0.0000 51967.3138 -109516.8740 298.6569 -161484.1878 -109148.9510 298.8379 -34.3750 -11.2352 762333.2708 13.5119 13.5661 PRESSURE: 1075800 8.23087 -198.678 51.7453 -198.678 -89.1509 52.3412 51.7447 52.3398 138.526 GPRESSURE: 1075800 101.315 -153.886 40.8234 -93.3967 -57.8096 22.2173 59.5301 -2.09915 85.6246 PRESSAVG: 1075800 -86.1774 -19.6903 -3.63512 -19.6903 62.8645 -6.32281 -3.6351 -6.32296 -7.92664 GPRESSAVG: 1075800 -86.0944 -20.087 -2.26468 -18.1665 63.0234 -8.62116 -2.95826 -6.53511 -8.76673 TIMING: 1075800 CPU: 3399.29, 0.00316542/step Wall: 3399.29, 0.00316542/step, 3.45048 hours remaining, 233.445312 MB of memory in use. ENERGY: 1075800 3977.6820 20467.3984 14500.1008 249.2005 -203336.7091 2679.0553 0.0000 0.0000 52016.5779 -109446.6942 298.9400 -161463.2721 -109089.9361 299.5871 19.2020 43.0435 762639.9791 -10.4132 -10.6126 PRESSURE: 1076000 -106.142 3.72325 23.6697 3.72363 -8.60588 -225.515 23.6694 -225.515 -152.397 GPRESSURE: 1076000 -166.246 61.8893 12.0488 -30.9324 56.1965 -250.342 71.1258 -211.337 -51.4751 PRESSAVG: 1076000 -20.8368 -33.0168 -0.400066 -33.0168 15.0921 -13.0697 -0.400099 -13.0698 -0.451492 GPRESSAVG: 1076000 -19.93 -30.5576 -1.72347 -33.7841 14.325 -12.4227 1.21849 -13.1527 -0.679677 TIMING: 1076000 CPU: 3399.92, 0.00315326/step Wall: 3399.92, 0.00315326/step, 3.43705 hours remaining, 233.445312 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: 1076000 3904.8553 20552.2218 14462.4537 238.9600 -203110.3781 2558.7542 0.0000 0.0000 52137.8904 -109255.2426 299.6372 -161393.1330 -108891.3097 299.4209 -89.0482 -53.8415 763979.0621 -2.0654 -2.0949 PRESSURE: 1076200 288.173 71.628 -73.0093 71.6283 158.306 94.3075 -73.009 94.3092 127.022 GPRESSURE: 1076200 297.383 11.8077 -155.715 68.8366 207.096 44.5163 -182.078 109.285 152.449 PRESSAVG: 1076200 27.8919 -12.4681 -36.2605 -12.4681 -13.2653 -1.90871 -36.2605 -1.90873 2.314 GPRESSAVG: 1076200 27.5691 -14.4851 -37.3572 -12.8525 -13.3312 -1.35547 -39.2141 -0.0248593 3.08016 TIMING: 1076200 CPU: 3400.55, 0.00316556/step Wall: 3400.55, 0.00316556/step, 3.45029 hours remaining, 233.445312 MB of memory in use. ENERGY: 1076200 3934.5787 20558.6932 14470.3670 244.8492 -203454.8450 2826.2542 0.0000 0.0000 52167.6439 -109252.4588 299.8082 -161420.1028 -108883.8318 299.3716 191.1671 218.9760 763312.0700 5.6469 5.7727 LDB: ============= START OF LOAD BALANCING ============== 3413.09 LDB: ============== END OF LOAD BALANCING =============== 3413.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3413.09 LDB: ============= START OF LOAD BALANCING ============== 3413.4 LDB: Largest compute 7042 load 0.034842 is 17.8% of average load 0.195277 LDB: Average compute 0.004412 is 2.3% of average load 0.195277 LDB: TIME 3413.41 LOAD: AVG 0.195277 MAX 0.216594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.434 MB LDB: TIME 3413.41 LOAD: AVG 0.195277 MAX 0.216594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 3413.41 LOAD: AVG 0.195277 MAX 0.216594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 3413.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3413.41 PRESSURE: 1076400 87.5471 -118.459 169.258 -118.459 100.432 131.292 169.259 131.293 -27.0286 GPRESSURE: 1076400 21.0456 -178.751 197.077 -119.015 157.575 192.865 126.169 82.2071 61.8369 PRESSAVG: 1076400 -34.1746 -14.1072 18.7047 -14.1072 74.9371 -86.0234 18.7047 -86.0233 2.16998 GPRESSAVG: 1076400 -34.85 -14.9459 19.45 -12.9893 74.7383 -86.8883 19.9359 -85.2168 3.45105 TIMING: 1076400 CPU: 3401.2, 0.00321453/step Wall: 3401.2, 0.00321453/step, 3.50348 hours remaining, 234.277344 MB of memory in use. ENERGY: 1076400 3990.0288 20709.6059 14531.9696 258.1242 -203544.3496 2780.3342 0.0000 0.0000 51887.3681 -109386.9186 298.1974 -161274.2868 -109032.4293 299.2492 53.6501 80.1526 763557.3816 14.3108 14.4464 PRESSURE: 1076600 -188.046 -95.6825 -151.916 -95.6825 -196.983 106.835 -151.915 106.836 97.7899 GPRESSURE: 1076600 -166.387 -127.861 -108.942 -17.2653 -84.285 154.15 -144.35 47.7936 67.5979 PRESSAVG: 1076600 17.503 0.0643434 -18.4918 0.0642854 -36.3426 46.9954 -18.4918 46.9954 -8.12515 GPRESSAVG: 1076600 18.4272 0.404949 -18.8087 -0.903674 -35.1699 48.0595 -16.0066 44.1287 -9.34641 TIMING: 1076600 CPU: 3401.83, 0.00315284/step Wall: 3401.83, 0.00315284/step, 3.43607 hours remaining, 234.480469 MB of memory in use. ENERGY: 1076600 4037.8532 20538.3356 14541.3016 237.4050 -203185.3596 2654.7978 0.0000 0.0000 51766.9043 -109408.7620 297.5051 -161175.6664 -109040.2286 298.4088 -95.7462 -61.0246 765195.4192 -8.9883 -8.6964 PRESSURE: 1076800 -272.634 68.7449 -82.5345 68.7448 -445.298 -55.9355 -82.5355 -55.9355 -172.013 GPRESSURE: 1076800 -224.12 63.4292 -30.9997 52.3738 -368.315 -53.071 -136.987 -8.44375 -217.332 PRESSAVG: 1076800 57.4294 28.0113 -13.2006 28.0113 -42.9838 -23.176 -13.2006 -23.1761 14.9138 GPRESSAVG: 1076800 55.8867 30.4695 -12.4698 28.3297 -41.9616 -23.4122 -14.8604 -21.3684 15.3308 TIMING: 1076800 CPU: 3402.46, 0.00316433/step Wall: 3402.46, 0.00316432/step, 3.44841 hours remaining, 234.480469 MB of memory in use. ENERGY: 1076800 3942.7631 20489.3882 14484.5780 230.2571 -202870.4956 2170.6606 0.0000 0.0000 52181.8989 -109370.9497 299.8901 -161552.8486 -109005.4239 298.8754 -296.6486 -269.9224 765098.7540 9.7865 9.7520 PRESSURE: 1077000 -156.616 -87.1812 -101.185 -87.1807 -45.2711 -169.694 -101.184 -169.694 191.178 GPRESSURE: 1077000 -70.0176 -107.357 -117.194 -112.009 -110.615 -102.894 41.6484 -158.257 238.874 PRESSAVG: 1077000 -25.4138 34.5858 13.6906 34.5858 -14.1823 -18.8934 13.6906 -18.8934 -8.42274 GPRESSAVG: 1077000 -24.424 32.4853 13.1725 34.9742 -14.9716 -20.1394 12.3029 -19.1413 -8.40474 TIMING: 1077000 CPU: 3403.09, 0.00316292/step Wall: 3403.09, 0.00316292/step, 3.44671 hours remaining, 234.480469 MB of memory in use. ENERGY: 1077000 4076.3462 20400.5762 14528.8380 240.2347 -203466.0237 2819.0082 0.0000 0.0000 51916.7434 -109484.2769 298.3662 -161401.0204 -109123.2036 299.2848 -3.5696 19.4139 763276.6548 -16.0063 -15.9334 PRESSURE: 1077200 625.652 117.692 -153.968 117.692 189.643 -197.261 -153.968 -197.26 24.9678 GPRESSURE: 1077200 624.81 54.1229 -148.036 65.6667 268.636 -136.635 -30.211 -231.949 37.5462 PRESSAVG: 1077200 27.3811 -4.33294 3.21783 -4.33304 -57.0264 -47.9329 3.21786 -47.9329 8.3197 GPRESSAVG: 1077200 26.5136 -4.04622 1.79208 -6.68936 -55.8078 -46.4662 6.50822 -49.2473 8.21617 TIMING: 1077200 CPU: 3403.73, 0.0031671/step Wall: 3403.73, 0.0031671/step, 3.45109 hours remaining, 234.480469 MB of memory in use. ENERGY: 1077200 4040.4492 20559.3642 14436.3017 256.1972 -203703.8729 2878.9598 0.0000 0.0000 52070.1688 -109462.4319 299.2480 -161532.6008 -109109.5377 298.7881 280.0874 310.3308 762407.7367 -7.1085 -7.0260 PRESSURE: 1077400 -176.345 135.433 102.631 135.433 -606.761 71.2573 102.632 71.2577 -413.858 GPRESSURE: 1077400 -127.406 85.0812 178.916 44.0187 -588.996 149.295 116.037 184.12 -407.319 PRESSAVG: 1077400 33.5292 52.8999 24.5973 52.9 10.0245 -28.2191 24.5973 -28.2191 -27.7432 GPRESSAVG: 1077400 33.9137 54.7852 26.1314 53.9822 8.23323 -29.1608 22.0881 -26.2903 -26.5929 TIMING: 1077400 CPU: 3404.36, 0.00315449/step Wall: 3404.36, 0.00315449/step, 3.43717 hours remaining, 234.480469 MB of memory in use. ENERGY: 1077400 4082.9333 20625.1835 14411.8366 229.1459 -203185.4655 2312.5547 0.0000 0.0000 52151.3956 -109372.4158 299.7148 -161523.8114 -109002.7090 299.1169 -398.9881 -374.5737 764202.1824 5.2702 5.1847 PRESSURE: 1077600 87.1817 49.8289 -206.925 49.8284 -0.960041 -100.475 -206.925 -100.476 -418.63 GPRESSURE: 1077600 71.1212 -71.2759 -141.344 -24.0581 80.8915 -122.756 -172.573 -87.3042 -400.79 PRESSAVG: 1077600 -6.83136 -39.156 -56.3032 -39.156 -7.22241 -43.9449 -56.3032 -43.945 -11.785 GPRESSAVG: 1077600 -7.68228 -41.6183 -55.6557 -37.2551 -6.60652 -44.6594 -57.9457 -46.9802 -11.569 TIMING: 1077600 CPU: 3404.98, 0.00313239/step Wall: 3404.98, 0.00313239/step, 3.41291 hours remaining, 234.480469 MB of memory in use. ENERGY: 1077600 4020.5335 20556.7396 14492.2194 258.4804 -203494.0852 2755.5994 0.0000 0.0000 51939.0292 -109471.4838 298.4943 -161410.5130 -109106.3773 298.8451 -110.8029 -82.9259 761690.8169 -8.6129 -8.6193 PRESSURE: 1077800 -25.4859 -97.4947 -67.5977 -97.4941 251.654 89.1165 -67.5974 89.1163 248.672 GPRESSURE: 1077800 28.1692 -141.243 -97.5204 -162.042 326.166 187.151 -86.3465 175.13 208.889 PRESSAVG: 1077800 12.9267 -6.54235 -34.0093 -6.54232 43.4064 26.1102 -34.0093 26.1102 0.809341 GPRESSAVG: 1077800 14.2078 -7.40449 -35.4562 -4.64741 43.3236 24.8646 -30.8662 27.9712 -0.334084 TIMING: 1077800 CPU: 3405.62, 0.0031604/step Wall: 3405.62, 0.0031604/step, 3.44326 hours remaining, 234.480469 MB of memory in use. ENERGY: 1077800 3874.6235 20591.7522 14459.5864 231.3922 -203390.5277 2602.7503 0.0000 0.0000 52105.9546 -109524.4685 299.4536 -161630.4231 -109163.1987 299.1191 158.2800 187.7414 760867.6588 19.0475 19.0658 PRESSURE: 1078000 -330.546 -24.0504 103.96 -24.05 -70.6133 43.3493 103.96 43.3497 -85.5797 GPRESSURE: 1078000 -266.135 -125.831 147.155 -49.5125 -26.191 -38.0172 37.2208 15.7266 -104.399 PRESSAVG: 1078000 -8.56421 -33.8379 8.92498 -33.8379 27.1731 25.5036 8.92497 25.5036 -17.1477 GPRESSAVG: 1078000 -7.2978 -33.7337 9.34104 -35.9256 27.2276 26.8365 5.48522 24.8155 -18.8747 TIMING: 1078000 CPU: 3406.25, 0.0031581/step Wall: 3406.25, 0.0031581/step, 3.44058 hours remaining, 234.480469 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: 1078000 4077.6228 20579.7065 14475.3138 235.6932 -203823.0178 2880.2192 0.0000 0.0000 52028.1792 -109546.2831 299.0067 -161574.4623 -109191.5297 298.6248 -162.2462 -132.2416 762524.3007 0.4871 0.3517 PRESSURE: 1078200 306.127 153.201 -59.2638 153.201 236.665 134.732 -59.2641 134.732 219.94 GPRESSURE: 1078200 278.76 116.763 -67.3582 51.8405 315.437 188.254 -192.879 170.273 265.603 PRESSAVG: 1078200 -22.553 30.8615 3.25009 30.8615 9.65287 45.8845 3.25007 45.8845 8.53981 GPRESSAVG: 1078200 -24.6105 32.2034 2.76095 30.6109 10.0864 44.4047 5.62805 45.1662 9.92067 TIMING: 1078200 CPU: 3406.88, 0.00314153/step Wall: 3406.88, 0.00314153/step, 3.42235 hours remaining, 234.480469 MB of memory in use. ENERGY: 1078200 4034.4747 20522.1824 14533.1421 257.4384 -203541.0715 2696.6356 0.0000 0.0000 52131.8811 -109365.3173 299.6026 -161497.1984 -109007.8591 299.1004 254.2442 286.5997 761065.1213 -1.4534 -1.5345 PRESSURE: 1078400 43.4223 24.1124 -36.4675 24.1118 -178.357 -213.59 -36.468 -213.59 72.6335 GPRESSURE: 1078400 19.3921 33.17 -79.1833 99.4563 -0.914432 -150.488 -149.323 -214.462 -7.45613 PRESSAVG: 1078400 -9.29613 -14.1713 5.11133 -14.1712 85.8557 54.1856 5.11134 54.1857 18.4505 GPRESSAVG: 1078400 -9.7829 -12.8744 3.56119 -14.0777 85.8584 56.3026 5.56193 54.6341 18.7263 TIMING: 1078400 CPU: 3407.51, 0.00315231/step Wall: 3407.51, 0.00315231/step, 3.43392 hours remaining, 234.480469 MB of memory in use. ENERGY: 1078400 3948.9460 20507.8898 14433.4344 248.0215 -203543.4850 2495.8180 0.0000 0.0000 52428.4327 -109480.9425 301.3069 -161909.3752 -109114.5639 299.5098 -20.7670 3.6738 760779.8520 31.6700 31.6006 PRESSURE: 1078600 -231.333 119.558 10.6608 119.559 -154.065 140.207 10.6615 140.207 230.583 GPRESSURE: 1078600 -78.8214 136.066 31.4259 100.859 -233.235 273.113 -18.5445 125.673 243.259 PRESSAVG: 1078600 -7.08913 -3.07245 -47.9468 -3.07246 48.5775 27.1231 -47.9468 27.1231 -13.1056 GPRESSAVG: 1078600 -6.01417 -4.2741 -45.5801 -3.31611 46.6272 27.6497 -46.8843 28.0347 -12.3626 TIMING: 1078600 CPU: 3408.14, 0.0031472/step Wall: 3408.14, 0.0031472/step, 3.42817 hours remaining, 234.480469 MB of memory in use. ENERGY: 1078600 3949.8565 20475.7831 14548.0518 245.2605 -203447.0866 2738.2649 0.0000 0.0000 52171.1654 -109318.7043 299.8284 -161489.8697 -108970.0124 299.3084 -51.6049 -22.9327 760887.6772 9.4609 9.4168 PRESSURE: 1078800 471.23 -183.439 -66.2709 -183.438 69.3985 14.5753 -66.2711 14.5753 430.09 GPRESSURE: 1078800 453.613 -173.92 7.47722 -110.047 127.341 14.2476 -149.333 2.86633 500.33 PRESSAVG: 1078800 -44.6203 -25.8299 8.32693 -25.8299 19.5759 1.76446 8.32695 1.76446 -2.79184 GPRESSAVG: 1078800 -45.1661 -25.7608 7.27594 -24.3389 20.6162 2.11839 6.05981 1.87417 -3.38463 TIMING: 1078800 CPU: 3408.77, 0.00316327/step Wall: 3408.77, 0.00316327/step, 3.4455 hours remaining, 234.480469 MB of memory in use. ENERGY: 1078800 4018.7111 20421.7179 14518.4313 247.1736 -203445.4599 2821.6761 0.0000 0.0000 52027.3669 -109390.3830 299.0020 -161417.7499 -109037.7296 298.7210 323.5726 360.4277 763596.4167 -9.2787 -9.3115 PRESSURE: 1079000 26.5951 1.21727 -293.021 1.21708 110.764 162.235 -293.021 162.235 -99.3127 GPRESSURE: 1079000 52.6109 55.5116 -287.365 -88.4737 155.87 169.454 -275.845 130.446 -74.2139 PRESSAVG: 1079000 -5.42095 17.8495 1.86648 17.8495 18.2722 27.8181 1.8665 27.818 -1.16029 GPRESSAVG: 1079000 -6.42733 18.0949 2.37874 17.5296 18.0785 28.2263 3.24159 25.8503 -0.466546 TIMING: 1079000 CPU: 3409.4, 0.00317551/step Wall: 3409.4, 0.00317551/step, 3.45866 hours remaining, 234.480469 MB of memory in use. ENERGY: 1079000 3976.7540 20520.8658 14439.9363 242.1574 -203194.6085 2718.0928 0.0000 0.0000 51758.3528 -109538.4494 297.4560 -161296.8022 -109180.6240 298.6359 12.6822 44.7558 762971.9421 3.8970 3.7282 PRESSURE: 1079200 107.984 216.149 44.1049 216.149 -18.4249 -176.392 44.1055 -176.392 -230.831 GPRESSURE: 1079200 211.736 142.865 68.506 121.449 -51.1373 -251.183 31.1793 -253.712 -218.537 PRESSAVG: 1079200 24.6183 -5.7404 -13.3692 -5.74042 -7.68233 -45.3174 -13.3692 -45.3174 27.8889 GPRESSAVG: 1079200 25.3816 -4.61799 -13.2536 -5.69538 -7.99351 -45.095 -14.2945 -46.1633 27.4821 TIMING: 1079200 CPU: 3410.04, 0.00316206/step Wall: 3410.04, 0.00316206/step, 3.44383 hours remaining, 234.480469 MB of memory in use. ENERGY: 1079200 3922.2652 20242.8957 14553.9687 257.3439 -203595.2310 2779.8770 0.0000 0.0000 52170.3230 -109668.5575 299.8236 -161838.8805 -109297.6904 298.4243 -47.0905 -19.3128 763904.6266 14.9416 14.9567 PRESSURE: 1079400 -78.2889 15.1421 164.9 15.1415 -250.67 -42.943 164.899 -42.9437 -610.917 GPRESSURE: 1079400 -34.1555 92.3825 86.6831 -5.56768 -199.646 -53.0885 240.561 46.4582 -635.695 PRESSAVG: 1079400 -11.6561 -31.0207 5.48033 -31.0206 -3.781 -38.563 5.48039 -38.563 10.2696 GPRESSAVG: 1079400 -11.4582 -31.0283 6.24822 -33.7021 -4.6026 -40.1593 7.15577 -35.0355 10.5198 TIMING: 1079400 CPU: 3410.67, 0.00315075/step Wall: 3410.67, 0.00315075/step, 3.43134 hours remaining, 234.480469 MB of memory in use. ENERGY: 1079400 4021.1196 20454.6981 14531.8280 233.6178 -203424.9735 2617.1423 0.0000 0.0000 51892.7489 -109673.8188 298.2283 -161566.5677 -109323.0017 298.5812 -313.2920 -289.8322 762557.6378 -1.7225 -1.8470 PRESSURE: 1079600 -58.1693 95.5255 -31.3043 95.5259 75.3651 68.2959 -31.3046 68.2971 374.679 GPRESSURE: 1079600 -35.0393 145.583 -33.7183 147.45 145.714 80.0213 63.4326 123.348 363.021 PRESSAVG: 1079600 -4.62895 9.37519 -14.3593 9.37521 -7.60199 -5.15998 -14.3593 -5.15996 24.8426 GPRESSAVG: 1079600 -4.6593 7.705 -14.5299 11.7197 -6.64938 -4.21974 -16.2968 -6.87515 23.7978 TIMING: 1079600 CPU: 3411.3, 0.00315572/step Wall: 3411.3, 0.00315572/step, 3.43658 hours remaining, 234.480469 MB of memory in use. ENERGY: 1079600 4020.9371 20464.8420 14472.2606 260.7141 -203408.0810 2756.7398 0.0000 0.0000 51849.1490 -109583.4384 297.9778 -161432.5874 -109217.9396 298.0605 130.6249 157.8986 761167.8095 4.2039 4.1630 PRESSURE: 1079800 -65.0379 -37.0057 200.153 -37.0041 144.704 51.4829 200.153 51.4827 -14.8543 GPRESSURE: 1079800 -145.29 -47.2721 143.125 -18.7719 294.701 74.2559 49.5867 36.6694 30.9019 PRESSAVG: 1079800 0.80603 25.1945 63.8202 25.1945 -27.0245 -18.8371 63.8201 -18.837 -27.25 GPRESSAVG: 1079800 -0.556814 26.3014 63.2662 24.5582 -27.8518 -18.8483 63.8274 -18.8419 -25.7445 TIMING: 1079800 CPU: 3411.93, 0.00315763/step Wall: 3411.93, 0.00315763/step, 3.43849 hours remaining, 234.480469 MB of memory in use. ENERGY: 1079800 4050.4148 20420.8902 14493.4243 241.2533 -203276.5419 2753.6846 0.0000 0.0000 51894.4780 -109422.3967 298.2383 -161316.8747 -109057.4634 298.8326 21.6040 60.1045 761649.0385 -17.8228 -18.0510 PRESSURE: 1080000 -43.9977 -50.9921 -156.868 -50.9905 -108.428 -92.9665 -156.868 -92.9657 -215.797 GPRESSURE: 1080000 -48.4828 -23.8687 -172.045 -118.523 -49.1712 -84.8525 -177.264 -176.269 -220.158 PRESSAVG: 1080000 -12.1146 -2.57792 9.46326 -2.57789 27.0616 -11.1243 9.46323 -11.1243 20.7913 GPRESSAVG: 1080000 -11.6211 -2.43555 7.8041 -3.34442 27.4326 -11.9726 11.034 -8.69043 19.6786 TIMING: 1080000 CPU: 3412.56, 0.00316587/step Wall: 3412.56, 0.00316587/step, 3.44729 hours remaining, 234.480469 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: 1080000 3999.6968 20445.2464 14468.8728 234.8827 -203018.6960 2584.4067 0.0000 0.0000 51893.1393 -109392.4513 298.2306 -161285.5906 -109032.8210 298.4608 -122.7409 -105.9373 763768.8246 11.9128 11.8300 PRESSURE: 1080200 -47.1784 54.606 25.4187 54.6061 -269.896 -52.4214 25.4192 -52.4216 -4.19327 GPRESSURE: 1080200 -91.6415 18.293 140.388 27.4234 -239.34 -44.6633 -4.81931 -113.296 98.7614 PRESSAVG: 1080200 -39.2845 -23.6767 24.5944 -23.6767 61.2808 5.43211 24.5944 5.43208 -3.57612 GPRESSAVG: 1080200 -40.0673 -25.4913 26.4116 -22.0605 60.5796 5.7213 25.1062 2.8462 -1.83082 TIMING: 1080200 CPU: 3413.19, 0.00315892/step Wall: 3413.19, 0.00315892/step, 3.43954 hours remaining, 234.480469 MB of memory in use. ENERGY: 1080200 3900.4651 20385.8521 14485.4932 240.3969 -202849.9698 2421.9855 0.0000 0.0000 52022.4254 -109393.3516 298.9736 -161415.7770 -109019.4638 298.5469 -107.0893 -77.4069 761730.1148 6.1401 6.2272 LDB: ============= START OF LOAD BALANCING ============== 3425.73 LDB: ============== END OF LOAD BALANCING =============== 3425.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3425.73 LDB: ============= START OF LOAD BALANCING ============== 3426.05 LDB: Largest compute 7042 load 0.033492 is 17.1% of average load 0.195349 LDB: Average compute 0.004370 is 2.2% of average load 0.195349 LDB: TIME 3426.05 LOAD: AVG 0.195349 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.762 MB LDB: TIME 3426.05 LOAD: AVG 0.195349 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: TIME 3426.05 LOAD: AVG 0.195349 MAX 0.216245 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.969 MB LDB: ============== END OF LOAD BALANCING =============== 3426.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3426.06 PRESSURE: 1080400 272.981 71.9249 179.532 71.9249 169.852 25.4113 179.532 25.4113 28.5056 GPRESSURE: 1080400 353.376 -42.7931 228.492 16.8742 190.047 67.5901 202.609 81.1292 19.4945 PRESSAVG: 1080400 -17.4384 -21.3521 -18.0756 -21.3522 30.5389 -1.07532 -18.0757 -1.07528 10.1695 GPRESSAVG: 1080400 -17.1612 -21.9986 -18.9856 -20.9037 32.407 0.242785 -20.5186 -0.740919 7.96109 TIMING: 1080400 CPU: 3413.84, 0.00322813/step Wall: 3413.84, 0.00322813/step, 3.51472 hours remaining, 235.441406 MB of memory in use. ENERGY: 1080400 3919.9346 20464.1967 14434.3260 240.9532 -203324.1093 2867.9218 0.0000 0.0000 52032.8023 -109363.9747 299.0332 -161396.7770 -108999.6446 298.9335 157.1132 187.6395 763071.5874 7.7567 7.7356 PRESSURE: 1080600 -363.51 -84.7631 28.6418 -84.763 174.965 187.906 28.6425 187.906 472.292 GPRESSURE: 1080600 -236.01 -16.6051 -43.2286 -116.887 154.804 177.907 76.7168 100.023 459.981 PRESSAVG: 1080600 31.9242 -2.4677 33.524 -2.46776 -9.29876 58.7516 33.524 58.7517 19.9326 GPRESSAVG: 1080600 32.2278 -1.29416 33.6111 -2.77499 -10.2915 56.8607 35.9244 58.1724 20.5176 TIMING: 1080600 CPU: 3414.47, 0.00314073/step Wall: 3414.47, 0.00314073/step, 3.41938 hours remaining, 235.644531 MB of memory in use. ENERGY: 1080600 3936.0907 20522.6398 14408.1816 250.5911 -203515.9289 2807.0571 0.0000 0.0000 52284.7895 -109306.5792 300.4814 -161591.3687 -108939.8584 299.1721 94.5825 126.2586 761510.4002 14.1860 14.1513 PRESSURE: 1080800 346.611 -131.149 130.183 -131.15 225.322 108.853 130.183 108.853 27.606 GPRESSURE: 1080800 417.978 -108.053 219.569 -91.7638 263.968 27.1385 87.249 88.0112 24.2404 PRESSAVG: 1080800 -0.430713 -59.2273 -1.05302 -59.2273 35.8772 -8.82815 -1.05298 -8.82811 -13.701 GPRESSAVG: 1080800 0.2022 -60.166 -0.0651091 -60.058 35.9325 -8.06106 -2.33449 -9.86632 -13.9262 TIMING: 1080800 CPU: 3415.1, 0.003146/step Wall: 3415.1, 0.003146/step, 3.42494 hours remaining, 235.644531 MB of memory in use. ENERGY: 1080800 3962.6447 20564.2046 14473.6275 237.6854 -203574.7328 2881.9504 0.0000 0.0000 52238.6830 -109215.9373 300.2164 -161454.6203 -108849.0605 299.6313 199.8464 235.3954 762054.8752 7.2485 7.4028 PRESSURE: 1081000 12.5255 212.242 -120.337 212.242 263.432 -165.338 -120.337 -165.337 -283.631 GPRESSURE: 1081000 -7.22282 226.547 -158.596 159.066 325.234 -152.265 -70.7922 -11.0596 -252.835 PRESSAVG: 1081000 14.0355 -25.1679 -8.97119 -25.1678 1.98389 -33.9134 -8.97114 -33.9134 13.6313 GPRESSAVG: 1081000 14.7429 -24.8887 -11.0741 -25.4969 2.48922 -32.1428 -7.76718 -32.3469 12.1235 TIMING: 1081000 CPU: 3415.73, 0.00314812/step Wall: 3415.73, 0.00314812/step, 3.42707 hours remaining, 235.644531 MB of memory in use. ENERGY: 1081000 3931.9759 20668.7227 14479.7739 262.1021 -203493.1662 2660.3799 0.0000 0.0000 52001.3397 -109488.8719 298.8524 -161490.2116 -109131.9868 299.3176 -2.5580 21.7253 760931.7964 9.8836 9.7852 PRESSURE: 1081200 96.6351 63.3959 34.6884 63.3966 -52.7019 43.6686 34.689 43.6693 113.88 GPRESSURE: 1081200 204.592 -50.3463 24.2446 65.1477 -43.8011 -2.35547 90.3537 12.8821 90.2473 PRESSAVG: 1081200 16.7639 -20.1583 -24.5372 -20.1583 -37.8432 -6.48875 -24.5372 -6.48875 -5.57144 GPRESSAVG: 1081200 16.6149 -20.471 -24.4725 -20.5891 -37.8545 -8.93008 -24.3315 -4.26553 -5.37498 TIMING: 1081200 CPU: 3416.36, 0.0031583/step Wall: 3416.36, 0.0031583/step, 3.43798 hours remaining, 235.644531 MB of memory in use. ENERGY: 1081200 3986.8832 20513.7026 14472.2731 242.1891 -203415.5250 2712.2619 0.0000 0.0000 51972.8603 -109515.3547 298.6887 -161488.2150 -109152.8704 298.8396 52.6046 83.6794 761823.4472 -8.8836 -8.8715 PRESSURE: 1081400 -275.953 -64.3969 91.7487 -64.3972 -54.6781 -286.511 91.7485 -286.511 158.396 GPRESSURE: 1081400 -152.359 -92.9951 107.225 -130.961 -70.5484 -290.043 75.4366 -216.229 148.994 PRESSAVG: 1081400 0.588573 -40.3084 5.95522 -40.3084 -10.4022 -19.7955 5.95523 -19.7956 1.15391 GPRESSAVG: 1081400 0.935555 -39.549 7.24308 -40.2107 -10.9287 -19.0165 4.73563 -20.6289 1.99478 TIMING: 1081400 CPU: 3416.99, 0.00315699/step Wall: 3416.99, 0.00315699/step, 3.43639 hours remaining, 235.644531 MB of memory in use. ENERGY: 1081400 3981.9198 20491.2441 14490.2894 240.9697 -203152.0985 2426.7225 0.0000 0.0000 52060.9316 -109460.0213 299.1949 -161520.9529 -109097.7499 298.6761 -57.4119 -24.6378 762527.3337 -2.8866 -2.6661 PRESSURE: 1081600 435.604 -95.4352 -89.6117 -95.4358 -20.5377 -141.024 -89.6125 -141.023 454.064 GPRESSURE: 1081600 410.633 -4.96395 -163.291 -35.3975 55.4014 -146.253 -73.4919 -49.1462 503.682 PRESSAVG: 1081600 -10.1693 -41.0575 -28.405 -41.0574 39.8799 20.9752 -28.4049 20.9753 31.2831 GPRESSAVG: 1081600 -9.77749 -40.5951 -28.2451 -41.9467 40.1684 20.6976 -27.1197 20.168 30.8881 TIMING: 1081600 CPU: 3417.62, 0.00315178/step Wall: 3417.62, 0.00315178/step, 3.43053 hours remaining, 235.644531 MB of memory in use. ENERGY: 1081600 3919.3640 20475.2752 14504.3196 253.5355 -203522.3679 2983.3855 0.0000 0.0000 51928.5404 -109457.9478 298.4340 -161386.4881 -109097.5417 298.8465 289.7099 323.2390 761772.3541 20.3312 20.4264 PRESSURE: 1081800 232.607 -6.90013 -98.1747 -6.90033 349.987 309.794 -98.1754 309.793 -186.807 GPRESSURE: 1081800 241.118 100.848 -74.7094 40.9532 415.912 348.246 -135.004 272.82 -187.563 PRESSAVG: 1081800 20.2607 -36.6207 6.08949 -36.6207 -16.9929 40.8911 6.08949 40.8911 -6.36644 GPRESSAVG: 1081800 19.2533 -36.0164 5.85711 -34.7123 -16.5811 42.3045 3.46635 41.1657 -6.0169 TIMING: 1081800 CPU: 3418.25, 0.00313716/step Wall: 3418.25, 0.00313716/step, 3.41445 hours remaining, 235.644531 MB of memory in use. ENERGY: 1081800 3913.1454 20627.0740 14504.5134 235.4364 -203563.5937 3042.1907 0.0000 0.0000 51992.3131 -109248.9207 298.8005 -161241.2338 -108884.2398 299.2200 131.9290 156.4891 762377.0302 -1.0329 -1.1149 PRESSURE: 1082000 -129.572 -187.417 -173.226 -187.416 139.612 -96.1395 -173.226 -96.1395 -154.974 GPRESSURE: 1082000 -14.4345 -94.9636 -174.658 -157.481 73.1781 -147.765 -63.5383 -61.3196 -146.063 PRESSAVG: 1082000 8.26397 -61.9044 -55.3577 -61.9044 26.042 -18.2927 -55.3577 -18.2927 6.58344 GPRESSAVG: 1082000 8.86096 -63.6329 -53.6253 -62.0797 24.6481 -19.2809 -54.1411 -20.2983 7.04525 TIMING: 1082000 CPU: 3418.88, 0.00315105/step Wall: 3418.88, 0.00315105/step, 3.4294 hours remaining, 235.644531 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: 1082000 4030.2450 20593.3766 14538.0855 242.2651 -203488.0551 2625.6815 0.0000 0.0000 52186.3694 -109272.0320 299.9158 -161458.4014 -108920.0632 299.4839 -48.3112 -29.1066 761785.6820 13.6298 13.5181 PRESSURE: 1082200 -102.852 45.1926 121.477 45.1929 -288.962 20.8558 121.477 20.8571 -225.137 GPRESSURE: 1082200 -53.8077 -56.9786 111.329 26.9574 -199.27 67.4555 198.822 190.719 -263.332 PRESSAVG: 1082200 33.9355 -11.8256 -24.1137 -11.8255 -2.95355 72.1184 -24.1137 72.1183 -11.3335 GPRESSAVG: 1082200 34.1862 -11.3276 -25.8112 -11.2891 -3.80914 71.728 -22.3391 74.5732 -11.3411 TIMING: 1082200 CPU: 3419.51, 0.00313727/step Wall: 3419.51, 0.00313727/step, 3.41422 hours remaining, 235.644531 MB of memory in use. ENERGY: 1082200 3976.9160 20530.0508 14448.3651 230.7516 -202679.2315 2134.1350 0.0000 0.0000 52136.8037 -109222.2092 299.6309 -161359.0129 -108863.1792 299.4157 -205.6499 -172.1367 762973.8491 6.5495 6.3453 PRESSURE: 1082400 416.198 79.2157 11.2445 79.2158 -86.4853 94.6053 11.2442 94.6065 112.616 GPRESSURE: 1082400 370.083 84.2698 -70.1709 -19.2532 66.8299 -90.3775 46.5012 35.2135 89.965 PRESSAVG: 1082400 -16.7599 -17.2035 5.53575 -17.2036 10.6533 23.3884 5.5358 23.3884 8.1043 GPRESSAVG: 1082400 -17.8132 -17.0927 4.04639 -17.943 10.9661 23.5833 4.74581 22.367 8.63779 TIMING: 1082400 CPU: 3420.13, 0.00313216/step Wall: 3420.13, 0.00313216/step, 3.40849 hours remaining, 235.644531 MB of memory in use. ENERGY: 1082400 3927.2562 20533.4104 14522.4187 247.9438 -203055.6720 2486.4793 0.0000 0.0000 52002.0161 -109336.1475 298.8563 -161338.1636 -108978.1508 299.2541 147.4428 175.6261 761013.4820 0.6659 0.5969 PRESSURE: 1082600 151.277 -10.8838 -19.4116 -10.8849 -145.6 53.1666 -19.4116 53.1669 -18.8548 GPRESSURE: 1082600 151.8 43.87 39.4097 -88.6471 -106.336 53.8777 -29.4468 98.8062 39.283 PRESSAVG: 1082600 27.6288 -42.8055 -7.49705 -42.8055 -25.1501 13.2179 -7.49709 13.2179 -2.78264 GPRESSAVG: 1082600 26.6499 -43.9019 -5.40265 -42.793 -23.5073 12.5373 -7.36007 12.8047 -3.21542 TIMING: 1082600 CPU: 3420.76, 0.00313674/step Wall: 3420.76, 0.00313674/step, 3.41329 hours remaining, 235.644531 MB of memory in use. ENERGY: 1082600 4065.3736 20544.6203 14562.2735 247.0160 -203185.4696 2565.9237 0.0000 0.0000 52143.3357 -109056.9268 299.6685 -161200.2626 -108692.4087 299.7232 -4.3928 28.2489 762566.7386 -0.1013 -0.0243 PRESSURE: 1082800 42.2284 30.3805 -200.097 30.3801 -184.879 -30.1739 -200.096 -30.1751 -73.4088 GPRESSURE: 1082800 43.0978 -5.22919 -198.721 40.5139 -152.981 17.1791 53.2291 30.5781 -17.5755 PRESSAVG: 1082800 -33.6138 25.4879 9.93424 25.4879 82.2097 -15.1674 9.93424 -15.1674 -13.7372 GPRESSAVG: 1082800 -32.4455 26.4366 8.89737 24.5666 80.8722 -15.4466 10.2552 -13.5733 -13.4686 TIMING: 1082800 CPU: 3421.39, 0.00314458/step Wall: 3421.39, 0.00314458/step, 3.42166 hours remaining, 235.644531 MB of memory in use. ENERGY: 1082800 4003.9576 20610.3702 14487.7065 244.2580 -203221.3127 2564.5274 0.0000 0.0000 52132.3607 -109178.1323 299.6054 -161310.4930 -108819.7939 299.5200 -72.0199 -42.4864 761189.8575 11.6196 11.6527 PRESSURE: 1083000 -59.1951 31.2626 82.2031 31.2612 140.64 -88.883 82.2028 -88.8835 -162.481 GPRESSURE: 1083000 -102.022 1.10132 121.979 7.5243 228.657 -63.1779 -40.1125 94.0391 -127.279 PRESSAVG: 1083000 -1.15315 -27.1217 19.9575 -27.1217 -35.2831 -20.8238 19.9576 -20.824 -9.8401 GPRESSAVG: 1083000 -2.14113 -26.8735 20.3112 -26.6842 -34.8142 -20.7585 19.7739 -22.0683 -10.1612 TIMING: 1083000 CPU: 3422.02, 0.0031469/step Wall: 3422.02, 0.0031469/step, 3.42401 hours remaining, 235.644531 MB of memory in use. ENERGY: 1083000 4005.2201 20562.5244 14444.7063 255.1006 -203089.0401 2509.9720 0.0000 0.0000 52034.7825 -109276.7343 299.0446 -161311.5167 -108912.6217 299.2233 -27.0120 -0.2147 762885.9635 -15.4254 -15.7055 PRESSURE: 1083200 210.242 224.398 -18.9437 224.399 72.9384 -313.364 -18.9433 -313.364 -191.206 GPRESSURE: 1083200 296.354 162.09 -56.4175 340.248 5.34712 -236.058 -30.211 -202.075 -113.459 PRESSAVG: 1083200 27.8194 -53.3266 30.9371 -53.3267 24.0377 -0.582393 30.9371 -0.582359 2.9904 GPRESSAVG: 1083200 29.1798 -55.2995 31.3397 -51.5676 22.6474 0.541544 28.4622 0.429493 3.05261 TIMING: 1083200 CPU: 3422.65, 0.00314282/step Wall: 3422.65, 0.00314282/step, 3.41939 hours remaining, 235.644531 MB of memory in use. ENERGY: 1083200 4031.4403 20467.1880 14474.5575 265.8162 -203089.7771 2382.1845 0.0000 0.0000 51738.3688 -109730.2218 297.3411 -161468.5906 -109379.2854 298.6789 30.6583 62.7473 760773.5790 18.2825 18.2933 PRESSURE: 1083400 49.1219 -37.025 95.6452 -37.0237 225.15 119.197 95.6451 119.198 465.688 GPRESSURE: 1083400 67.4618 -56.2864 64.52 -89.1187 252.076 120.166 186.756 128.785 490.954 PRESSAVG: 1083400 -22.6831 30.4722 14.9806 30.4722 -3.27042 20.8255 14.9806 20.8255 -28.2349 GPRESSAVG: 1083400 -23.6997 32.9308 15.2505 28.9646 -2.69411 19.2478 17.7407 20.479 -28.1051 TIMING: 1083400 CPU: 3423.27, 0.00314327/step Wall: 3423.27, 0.00314327/step, 3.41971 hours remaining, 235.644531 MB of memory in use. ENERGY: 1083400 3941.7731 20577.9649 14395.0396 250.2522 -203433.8249 2679.5408 0.0000 0.0000 51645.3437 -109943.9105 296.8065 -161589.2542 -109586.7073 298.1953 246.6534 270.1640 759933.1688 -18.0628 -18.1663 PRESSURE: 1083600 35.7366 37.0108 48.8649 37.0108 -70.4509 85.1713 48.8644 85.1715 -478.575 GPRESSURE: 1083600 46.6713 95.8306 -43.7669 138.952 -9.80331 158.332 82.6464 56.2168 -470.046 PRESSAVG: 1083600 23.7834 16.1892 22.1242 16.1892 -17.7188 -24.3999 22.1242 -24.3999 6.12686 GPRESSAVG: 1083600 23.9111 14.0626 20.1902 18.2178 -17.5785 -22.918 23.8181 -24.0044 5.8236 TIMING: 1083600 CPU: 3423.9, 0.00313944/step Wall: 3423.9, 0.00313944/step, 3.41536 hours remaining, 235.644531 MB of memory in use. ENERGY: 1083600 4011.6687 20339.4380 14458.5494 249.0276 -203328.6282 2620.1877 0.0000 0.0000 51660.5142 -109989.2426 296.8937 -161649.7568 -109626.4541 297.9969 -171.0964 -144.3928 762316.6914 4.0638 4.0521 PRESSURE: 1083800 20.3921 74.5885 -160.366 74.589 231.948 -41.128 -160.367 -41.1268 -219.735 GPRESSURE: 1083800 87.6755 32.8661 -148.993 94.1152 243.016 -37.5509 -56.8231 -26.6694 -217.894 PRESSAVG: 1083800 -66.5186 -39.2012 34.0676 -39.2012 37.4989 5.98227 34.0676 5.98236 -19.9391 GPRESSAVG: 1083800 -66.3391 -37.568 35.9938 -41.0181 37.6346 5.9702 30.2645 5.09918 -19.4612 TIMING: 1083800 CPU: 3424.53, 0.00315685/step Wall: 3424.53, 0.00315685/step, 3.43413 hours remaining, 235.644531 MB of memory in use. ENERGY: 1083800 3962.1379 20350.2093 14431.3467 259.5810 -203524.2207 2757.6012 0.0000 0.0000 51782.9504 -109980.3941 297.5973 -161763.3445 -109621.7767 297.7232 10.8683 37.5994 760494.3130 -16.3196 -16.0552 PRESSURE: 1084000 -53.0108 15.0068 123.378 15.006 -169.686 -89.0023 123.377 -89.001 400.429 GPRESSURE: 1084000 86.7733 75.7268 56.0785 -47.621 -112.052 -223.707 147.559 18.0217 293.859 PRESSAVG: 1084000 -42.684 -53.5786 -3.50625 -53.5786 52.7025 -14.1448 -3.50625 -14.1448 -2.4172 GPRESSAVG: 1084000 -42.0402 -53.81 -2.2422 -53.7456 52.5756 -15.8242 -0.843038 -14.8429 -3.15288 TIMING: 1084000 CPU: 3425.16, 0.00315504/step Wall: 3425.16, 0.00315504/step, 3.43198 hours remaining, 235.644531 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: 1084000 4016.1768 20418.3371 14445.0363 258.4359 -203918.3497 2972.3287 0.0000 0.0000 51887.4733 -109920.5616 298.1980 -161808.0349 -109555.8623 298.0376 59.2438 89.5268 761627.4496 2.5338 2.4609 PRESSURE: 1084200 19.1938 -185.376 24.9325 -185.375 -49.9808 -81.9993 24.932 -81.9993 -9.05515 GPRESSURE: 1084200 35.891 -138.858 31.6853 -154.846 62.9167 -99.9581 159.058 -15.5506 -61.4162 PRESSAVG: 1084200 -2.44245 -6.80291 -2.375 -6.80295 7.02186 -15.7303 -2.37499 -15.7304 -7.27389 GPRESSAVG: 1084200 -2.96613 -6.693 -2.11244 -6.19261 7.36538 -14.8301 -4.99027 -16.1558 -7.24739 TIMING: 1084200 CPU: 3425.79, 0.00313148/step Wall: 3425.79, 0.00313148/step, 3.40618 hours remaining, 235.644531 MB of memory in use. ENERGY: 1084200 3983.7517 20385.4869 14475.9839 253.5914 -203233.6234 2438.8740 0.0000 0.0000 51816.7403 -109879.1951 297.7915 -161695.9354 -109524.5941 298.1873 -13.2807 12.4639 758902.6211 -0.8982 -0.9494 LDB: ============= START OF LOAD BALANCING ============== 3438.32 LDB: ============== END OF LOAD BALANCING =============== 3438.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3438.33 LDB: ============= START OF LOAD BALANCING ============== 3438.64 LDB: Largest compute 7042 load 0.031859 is 16.3% of average load 0.195369 LDB: Average compute 0.004402 is 2.3% of average load 0.195369 LDB: TIME 3438.65 LOAD: AVG 0.195369 MAX 0.213734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.223 MB LDB: TIME 3438.65 LOAD: AVG 0.195369 MAX 0.213734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.223 MB LDB: TIME 3438.65 LOAD: AVG 0.195369 MAX 0.213734 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.223 MB LDB: ============== END OF LOAD BALANCING =============== 3438.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3438.66 PRESSURE: 1084400 -4.03977 -96.0363 -109.495 -96.0371 257.232 42.8386 -109.495 42.8381 382.268 GPRESSURE: 1084400 -20.71 -109.651 -45.3526 -144.239 336.366 -36.027 -81.7249 67.4922 392.784 PRESSAVG: 1084400 20.6088 -54.8309 -10.7617 -54.831 9.87556 -48.8439 -10.7618 -48.8439 20.8056 GPRESSAVG: 1084400 20.0401 -55.3727 -10.6452 -56.0656 8.11253 -50.2046 -10.116 -46.7005 22.7064 TIMING: 1084400 CPU: 3426.44, 0.00323778/step Wall: 3426.44, 0.00323778/step, 3.52162 hours remaining, 232.164062 MB of memory in use. ENERGY: 1084400 3977.7145 20339.4508 14492.3536 234.4753 -203812.4368 2938.9492 0.0000 0.0000 51811.0569 -110018.4365 297.7589 -161829.4934 -109660.7635 297.6474 211.8202 236.1465 758873.0258 17.0966 16.9530 PRESSURE: 1084600 -59.1033 -66.8837 -89.5223 -66.8841 194.321 -8.70308 -89.5221 -8.70254 149.922 GPRESSURE: 1084600 40.474 -7.71453 -7.41874 33.2387 198.164 35.8944 -194.998 33.3238 145.639 PRESSAVG: 1084600 -50.7094 -22.0873 48.6696 -22.0873 33.9384 -4.61323 48.6696 -4.6132 5.42704 GPRESSAVG: 1084600 -50.5338 -21.9388 47.4957 -20.486 34.4924 -2.54007 49.2609 -8.04033 4.52497 TIMING: 1084600 CPU: 3427.07, 0.00316716/step Wall: 3427.07, 0.00316716/step, 3.44463 hours remaining, 232.164062 MB of memory in use. ENERGY: 1084600 4053.6890 20232.5933 14515.1385 246.5545 -203758.1783 2942.3757 0.0000 0.0000 51955.3239 -109812.5034 298.5880 -161767.8273 -109447.1819 297.8062 95.0464 128.0921 759894.4842 -3.7813 -3.8388 PRESSURE: 1084800 -260.957 -14.438 -63.5983 -14.4376 52.566 -153.256 -63.598 -153.256 -265.012 GPRESSURE: 1084800 -186.36 98.6852 -22.1234 -102.392 -15.0776 -123.12 37.9367 -138.247 -174.637 PRESSAVG: 1084800 -14.4521 -45.9268 50.113 -45.9268 30.2318 -3.05326 50.113 -3.05335 10.1776 GPRESSAVG: 1084800 -14.4869 -46.2543 50.7417 -45.3627 30.7161 -3.4153 50.7774 -1.87014 9.92408 TIMING: 1084800 CPU: 3427.7, 0.00316382/step Wall: 3427.7, 0.00316382/step, 3.44083 hours remaining, 232.164062 MB of memory in use. ENERGY: 1084800 3939.8507 20321.6001 14430.0440 259.4614 -202935.3339 2216.1635 0.0000 0.0000 52063.3963 -109704.8180 299.2091 -161768.2143 -109346.8951 298.6972 -157.8009 -125.3581 760906.3019 8.6524 8.7178 PRESSURE: 1085000 254.923 -13.5356 -191.499 -13.5354 -201.309 -107.539 -191.498 -107.538 187.7 GPRESSURE: 1085000 227.552 28.5224 -167.958 -48.8662 -53.9361 -38.8738 -157.697 -163.009 159.278 PRESSAVG: 1085000 20.6731 -35.6545 19.4181 -35.6544 -19.4333 2.14264 19.4182 2.14275 12.8054 GPRESSAVG: 1085000 20.7662 -36.6139 19.4561 -33.7043 -18.7208 1.07209 20.5215 2.59536 12.462 TIMING: 1085000 CPU: 3428.34, 0.00317762/step Wall: 3428.34, 0.00317762/step, 3.45566 hours remaining, 232.164062 MB of memory in use. ENERGY: 1085000 3893.5309 20515.2482 14411.0974 254.5747 -203450.9663 2625.5077 0.0000 0.0000 52093.8894 -109657.1178 299.3843 -161751.0072 -109285.8388 298.7987 80.4380 110.9648 759741.2657 4.6818 4.8358 PRESSURE: 1085200 24.0802 47.5339 64.7384 47.5337 -195.112 -176.976 64.7384 -176.975 185.133 GPRESSURE: 1085200 88.4442 58.1819 183.454 -31.0577 -192.117 -265.989 112.996 -155.166 200.131 PRESSAVG: 1085200 29.8655 27.2664 9.75356 27.2664 0.121257 -42.3171 9.7535 -42.3171 3.39021 GPRESSAVG: 1085200 30.292 28.5712 10.8559 21.7421 -0.355593 -42.9029 7.18788 -43.8464 3.67357 TIMING: 1085200 CPU: 3428.97, 0.00315177/step Wall: 3428.97, 0.00315177/step, 3.42737 hours remaining, 232.164062 MB of memory in use. ENERGY: 1085200 3938.7397 20373.7327 14501.5141 250.5582 -203097.5829 2447.7815 0.0000 0.0000 52053.3773 -109531.8795 299.1515 -161585.2568 -109167.3489 298.4915 4.7002 32.1525 761805.4089 11.1256 11.2033 PRESSURE: 1085400 -75.0037 117.875 71.6063 117.876 109.515 72.2963 71.6059 72.297 252.508 GPRESSURE: 1085400 -64.74 81.6597 25.0702 83.4035 125.286 -2.81492 12.2372 157.126 322.795 PRESSAVG: 1085400 -10.1726 -12.3216 23.9173 -12.3216 5.11577 -24.3532 23.9173 -24.3532 32.9772 GPRESSAVG: 1085400 -10.3937 -11.8774 22.2122 -11.7271 6.18571 -24.8724 24.6327 -22.2062 32.6591 TIMING: 1085400 CPU: 3429.6, 0.00315951/step Wall: 3429.6, 0.00315951/step, 3.43561 hours remaining, 232.164062 MB of memory in use. ENERGY: 1085400 3918.2448 20431.8971 14473.3433 232.6031 -203027.9657 2529.6400 0.0000 0.0000 51924.2800 -109517.9575 298.4096 -161442.2375 -109150.9209 298.8897 95.6730 127.7804 762471.4298 9.3068 9.4837 PRESSURE: 1085600 -336.084 -127.63 -37.0523 -127.63 0.0395518 152.402 -37.0525 152.402 52.8707 GPRESSURE: 1085600 -282.944 -21.7938 17.0681 -112.08 32.7769 208.16 -0.557247 114.853 49.9404 PRESSAVG: 1085600 9.41618 -14.8134 52.8647 -14.8133 -9.63706 2.61328 52.8647 2.61338 -14.8284 GPRESSAVG: 1085600 9.11783 -14.0016 52.5541 -15.88 -11.419 2.75579 52.5963 2.54535 -13.1378 TIMING: 1085600 CPU: 3430.24, 0.00316732/step Wall: 3430.24, 0.00316732/step, 3.44393 hours remaining, 232.164062 MB of memory in use. ENERGY: 1085600 3931.6625 20553.4818 14457.0967 225.0939 -202797.2974 2279.3776 0.0000 0.0000 51881.0465 -109469.5385 298.1611 -161350.5850 -109117.3603 298.3969 -94.3913 -66.7421 763200.3169 -5.0164 -5.1463 PRESSURE: 1085800 -61.5126 -226.236 194.5 -226.236 -507.83 -13.1706 194.501 -13.1704 212.201 GPRESSURE: 1085800 -12.4344 -264.954 147.644 -176.763 -455.201 -24.1292 316.258 108.449 213.483 PRESSAVG: 1085800 -29.7272 7.99333 50.3248 7.99335 68.2764 -60.4443 50.3248 -60.4443 -4.9245 GPRESSAVG: 1085800 -29.4545 7.09162 52.2731 9.62993 70.0223 -60.4934 50.2173 -60.51 -6.50298 TIMING: 1085800 CPU: 3430.87, 0.00317399/step Wall: 3430.87, 0.00317399/step, 3.451 hours remaining, 232.164062 MB of memory in use. ENERGY: 1085800 3978.6797 20353.8686 14437.1772 252.5923 -203224.1752 2767.2612 0.0000 0.0000 51912.8712 -109521.7250 298.3440 -161434.5962 -109165.3676 298.5503 -119.0471 -84.7174 762704.2365 11.2082 11.3549 PRESSURE: 1086000 -137.773 -91.9003 -48.1914 -91.901 -350.27 -73.8316 -48.1922 -73.8321 -191.977 GPRESSURE: 1086000 -168.033 -94.3108 -133.893 56.8745 -314.468 -73.6691 121.799 11.9911 -123.183 PRESSAVG: 1086000 8.03535 -29.3031 30.668 -29.3031 -34.8867 -36.0884 30.668 -36.0884 31.5775 GPRESSAVG: 1086000 7.80731 -29.384 30.1341 -30.4365 -35.6836 -35.4193 31.7597 -36.85 32.34 TIMING: 1086000 CPU: 3431.51, 0.00317365/step Wall: 3431.51, 0.00317365/step, 3.45046 hours remaining, 232.164062 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: 1086000 4032.1685 20459.5503 14474.4624 241.5853 -202789.0862 2444.1650 0.0000 0.0000 51772.9104 -109364.2442 297.5396 -161137.1546 -109005.3358 298.3771 -226.6734 -201.8946 763307.0694 1.5754 1.4879 PRESSURE: 1086200 -45.9155 -81.4644 -12.9855 -81.4635 2.48459 -157.208 -12.9853 -157.209 -266.429 GPRESSURE: 1086200 7.66804 13.1331 -16.1869 -36.7596 -78.3084 -255.444 39.9016 -94.7469 -150.447 PRESSAVG: 1086200 25.4357 35.8087 90.7562 35.8086 -63.8804 -30.106 90.7562 -30.1061 6.12465 GPRESSAVG: 1086200 25.4274 36.1014 90.4131 36.9103 -64.0897 -30.6446 90.9483 -30.0833 6.17167 TIMING: 1086200 CPU: 3432.14, 0.00316941/step Wall: 3432.14, 0.00316941/step, 3.44567 hours remaining, 232.164062 MB of memory in use. ENERGY: 1086200 3934.1931 20317.5093 14508.9099 246.2090 -203407.2141 2849.5100 0.0000 0.0000 51894.7251 -109656.1577 298.2397 -161550.8829 -109288.2222 298.6813 -103.2867 -73.6959 763484.7830 -10.7733 -10.8302 PRESSURE: 1086400 -69.0046 -46.1114 142.587 -46.1114 -221.184 53.7812 142.587 53.7824 -15.4239 GPRESSURE: 1086400 -125.868 -12.5032 149.883 -209.895 -14.6271 120.722 211.479 149.67 -67.8843 PRESSAVG: 1086400 28.5802 -51.7468 -13.6492 -51.7468 -66.679 -13.0265 -13.6493 -13.0266 -3.76898 GPRESSAVG: 1086400 29.9991 -53.4214 -14.8055 -51.1123 -65.7808 -10.3955 -13.2488 -11.8381 -5.84104 TIMING: 1086400 CPU: 3432.77, 0.00317407/step Wall: 3432.77, 0.00317407/step, 3.45057 hours remaining, 232.164062 MB of memory in use. ENERGY: 1086400 3914.5190 20325.1474 14446.4361 219.2702 -203797.5031 2896.7973 0.0000 0.0000 52114.4079 -109880.9252 299.5022 -161995.3331 -109516.5914 297.9896 -101.8710 -69.4597 761219.5655 -13.9559 -13.8743 PRESSURE: 1086600 -117.886 112.736 73.2511 112.736 301.987 -226.676 73.2513 -226.676 -258.491 GPRESSURE: 1086600 -115.476 52.1211 117.094 189.823 314.39 -258.559 -5.38243 -154.543 -185.741 PRESSAVG: 1086600 8.81773 8.03688 1.84125 8.03686 13.9734 11.944 1.84124 11.9441 -0.459329 GPRESSAVG: 1086600 6.86631 9.75953 2.97685 7.50743 13.0715 10.2282 -0.0814264 13.1889 1.93939 TIMING: 1086600 CPU: 3433.41, 0.00317731/step Wall: 3433.41, 0.00317731/step, 3.45391 hours remaining, 232.164062 MB of memory in use. ENERGY: 1086600 3948.1471 20463.3691 14363.2010 230.3632 -203270.3145 2612.4405 0.0000 0.0000 51856.4301 -109796.3636 298.0196 -161652.7936 -109438.7337 297.7016 -24.7965 4.3908 760481.1668 7.4439 7.2924 PRESSURE: 1086800 157.953 72.2909 -188.771 72.2904 -245.051 183.124 -188.771 183.124 191.697 GPRESSURE: 1086800 308.388 205.886 -189.534 -15.3817 -247.724 218.227 -32.9214 105.449 143.685 PRESSAVG: 1086800 1.59933 89.4247 -16.2659 89.4247 -6.74378 17.3101 -16.266 17.3103 -7.79568 GPRESSAVG: 1086800 1.9785 87.141 -17.4014 89.377 -6.18382 16.1285 -13.2339 17.5846 -8.12018 TIMING: 1086800 CPU: 3434.04, 0.00316061/step Wall: 3434.04, 0.00316061/step, 3.43558 hours remaining, 232.164062 MB of memory in use. ENERGY: 1086800 3934.2890 20300.6064 14479.5715 253.6022 -203546.4019 2954.1176 0.0000 0.0000 52002.5145 -109621.7006 298.8592 -161624.2151 -109256.5788 297.9369 34.8665 68.1166 762166.5819 -4.3134 -4.1085 PRESSURE: 1087000 -240.592 -100.463 -206.086 -100.463 -281.363 -253.587 -206.086 -253.588 263.645 GPRESSURE: 1087000 -153.109 -136.238 -210.654 -73.2954 -233.49 -159.878 -140.337 -133.666 206.083 PRESSAVG: 1087000 18.0611 21.5532 -39.7775 21.5533 -7.53533 17.4906 -39.7774 17.4906 1.54836 GPRESSAVG: 1087000 17.6135 24.1834 -40.2541 20.7294 -7.58038 19.1822 -39.7764 15.9948 1.65753 TIMING: 1087000 CPU: 3434.67, 0.00314997/step Wall: 3434.67, 0.00314997/step, 3.42384 hours remaining, 232.164062 MB of memory in use. ENERGY: 1087000 3912.4850 20546.2700 14409.7589 250.7085 -203391.9066 2688.9100 0.0000 0.0000 51834.2387 -109749.5355 297.8921 -161583.7741 -109407.2606 298.2164 -86.1033 -60.1719 764191.8473 4.0247 3.8969 PRESSURE: 1087200 -481.705 99.9402 298.144 99.9406 -236.732 -76.1939 298.144 -76.1927 -149.278 GPRESSURE: 1087200 -425.491 122.263 227.558 126.75 -210.486 -130.172 276.262 -131.533 -148.648 PRESSAVG: 1087200 1.84023 4.71367 0.250157 4.71374 21.0971 -4.97058 0.250115 -4.97065 7.01144 GPRESSAVG: 1087200 3.01384 4.27683 -0.214474 4.92388 21.5109 -3.89444 -1.33831 -5.41031 5.79484 TIMING: 1087200 CPU: 3435.31, 0.00317272/step Wall: 3435.31, 0.00317272/step, 3.4484 hours remaining, 232.164062 MB of memory in use. ENERGY: 1087200 3826.2627 20363.7086 14457.6571 251.0903 -202974.5236 2465.0237 0.0000 0.0000 51835.6403 -109775.1408 297.9001 -161610.7811 -109406.3331 298.1132 -289.2387 -261.5417 764107.8765 9.9829 10.1065 PRESSURE: 1087400 -215.396 107.876 -110.356 107.877 136.432 -168.547 -110.356 -168.548 -389.921 GPRESSURE: 1087400 -151.425 -78.9854 -78.5727 34.1486 61.7106 -142.876 -132.223 -179.261 -308.974 PRESSAVG: 1087400 72.3526 28.0795 -37.2878 28.0795 -59.2905 -35.4227 -37.2878 -35.4227 1.06667 GPRESSAVG: 1087400 71.4623 27.1136 -35.2265 27.0577 -60.7887 -35.6665 -38.2707 -35.4519 3.32096 TIMING: 1087400 CPU: 3435.94, 0.00319126/step Wall: 3435.94, 0.00319126/step, 3.46837 hours remaining, 232.164062 MB of memory in use. ENERGY: 1087400 3855.8774 20336.2519 14501.1715 250.9005 -203107.5855 2586.7136 0.0000 0.0000 51916.1184 -109660.5523 298.3626 -161576.6707 -109297.7999 298.1746 -156.2948 -132.8961 763816.2555 4.7096 4.6648 PRESSURE: 1087600 35.1728 -106.858 -247.078 -106.858 145.388 169.395 -247.079 169.396 -165.085 GPRESSURE: 1087600 87.1576 -35.1299 -316.511 -103.578 138.641 121.816 -202.921 194.955 -133.25 PRESSAVG: 1087600 3.09463 41.3684 16.7172 41.3684 -22.6112 46.9736 16.7173 46.9736 -8.09384 GPRESSAVG: 1087600 4.13597 41.0359 15.2532 42.2169 -21.4124 47.2829 17.7438 45.7809 -10.28 TIMING: 1087600 CPU: 3436.58, 0.00319408/step Wall: 3436.58, 0.00319408/step, 3.47126 hours remaining, 232.164062 MB of memory in use. ENERGY: 1087600 3966.3361 20382.5920 14507.0222 248.5999 -203500.9217 2804.9019 0.0000 0.0000 52087.2454 -109504.2241 299.3461 -161591.4695 -109150.0128 298.3985 5.1586 30.8495 763991.5159 -9.2035 -9.1855 PRESSURE: 1087800 35.8592 60.4577 92.5106 60.4576 -242.572 29.52 92.5103 29.5191 -375.166 GPRESSURE: 1087800 51.996 48.9223 79.4048 5.19488 -217.556 2.04479 78.8063 65.2061 -334.849 PRESSAVG: 1087800 35.8926 0.877208 49.1271 0.877264 -47.2265 -4.47529 49.1271 -4.47532 -7.30298 GPRESSAVG: 1087800 35.1453 1.7255 49.3888 0.972529 -48.3169 -6.01447 49.6197 -3.11665 -5.78799 TIMING: 1087800 CPU: 3437.21, 0.003153/step Wall: 3437.21, 0.003153/step, 3.42644 hours remaining, 232.164062 MB of memory in use. ENERGY: 1087800 4015.7666 20416.0944 14599.9690 250.9567 -203002.7820 2629.1201 0.0000 0.0000 52021.0465 -109069.8288 298.9657 -161090.8752 -108701.1974 299.0062 -193.9597 -166.8029 763273.4853 -6.2123 -6.3199 PRESSURE: 1088000 116.329 -83.1128 -168.714 -83.1125 -324.152 333.417 -168.714 333.417 198.118 GPRESSURE: 1088000 210.153 -115.581 -239.214 -75.5143 -287.627 274.193 -75.4766 282.418 148.965 PRESSAVG: 1088000 16.4139 24.654 16.3363 24.654 -29.1437 25.6144 16.3362 25.6144 4.65581 GPRESSAVG: 1088000 15.7942 25.5973 15.6544 23.462 -26.9673 26.6595 17.6621 26.191 2.74904 TIMING: 1088000 CPU: 3437.84, 0.00314854/step Wall: 3437.84, 0.00314854/step, 3.42141 hours remaining, 232.164062 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: 1088000 4027.1859 20448.8333 14515.3482 263.4016 -202939.8568 2548.5153 0.0000 0.0000 52007.2761 -109129.2963 298.8865 -161136.5724 -108767.7811 299.2846 -3.2349 23.8302 763202.4849 -2.6913 -2.8080 PRESSURE: 1088200 -544.06 167.103 270.634 167.103 -314.404 81.2684 270.634 81.2678 -587.014 GPRESSURE: 1088200 -448.017 279.189 335.825 145.012 -255.603 166.13 226.906 -32.388 -658.339 PRESSAVG: 1088200 -6.77052 25.4177 47.9356 25.4177 28.3928 25.4123 47.9357 25.4124 -21.2171 GPRESSAVG: 1088200 -6.5392 24.5186 49.3447 26.0928 27.8495 26.045 44.1414 24.851 -21.3246 TIMING: 1088200 CPU: 3438.47, 0.00314296/step Wall: 3438.47, 0.00314296/step, 3.41518 hours remaining, 232.164062 MB of memory in use. ENERGY: 1088200 3944.0636 20472.7943 14565.1399 230.5202 -202683.8819 2219.1973 0.0000 0.0000 52039.1695 -109212.9970 299.0698 -161252.1665 -108846.1646 299.2962 -481.8260 -453.9865 764066.7238 0.1351 -0.0048 LDB: ============= START OF LOAD BALANCING ============== 3451 LDB: ============== END OF LOAD BALANCING =============== 3451 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3451.01 LDB: ============= START OF LOAD BALANCING ============== 3451.32 LDB: Largest compute 7042 load 0.031375 is 16.1% of average load 0.195449 LDB: Average compute 0.004381 is 2.2% of average load 0.195449 LDB: TIME 3451.32 LOAD: AVG 0.195449 MAX 0.220094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.73 MB LDB: TIME 3451.32 LOAD: AVG 0.195449 MAX 0.220094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.73 MB LDB: TIME 3451.32 LOAD: AVG 0.195449 MAX 0.218099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.73 MB LDB: ============== END OF LOAD BALANCING =============== 3451.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3451.33 PRESSURE: 1088400 162.697 -67.3175 17.264 -67.3178 184.809 -251.22 17.2643 -251.22 20.7796 GPRESSURE: 1088400 205.627 23.8825 174.269 -109 208.899 -258.243 60.7643 -248.467 47.6329 PRESSAVG: 1088400 -10.8929 47.4046 -12.6578 47.4046 20.4516 21.5157 -12.6578 21.5158 11.1514 GPRESSAVG: 1088400 -10.6906 48.0854 -13.474 48.3803 20.0457 20.8119 -10.1943 21.1937 10.926 TIMING: 1088400 CPU: 3439.11, 0.00321187/step Wall: 3439.11, 0.00321187/step, 3.48988 hours remaining, 233.449219 MB of memory in use. ENERGY: 1088400 3955.5305 20451.0045 14554.5890 236.0847 -203188.3220 2621.6571 0.0000 0.0000 52325.0536 -109044.4026 300.7128 -161369.4562 -108692.7232 299.5414 122.7619 154.0528 762211.2243 6.9034 6.7604 PRESSURE: 1088600 52.2947 9.48448 256.811 9.48409 -264.065 196.792 256.811 196.792 -183.12 GPRESSURE: 1088600 70.8923 -47.4463 222.357 -111.043 -221.988 152.731 247.805 181.489 -148.882 PRESSAVG: 1088600 -30.9778 18.5458 -4.74642 18.5458 -10.3712 -43.3836 -4.74649 -43.3836 -2.05128 GPRESSAVG: 1088600 -30.7921 16.8783 -3.87874 18.3844 -10.691 -44.9174 -6.32237 -42.6889 -1.11613 TIMING: 1088600 CPU: 3439.74, 0.00314846/step Wall: 3439.74, 0.00314846/step, 3.42081 hours remaining, 233.449219 MB of memory in use. ENERGY: 1088600 4030.1614 20572.6451 14481.0501 233.6155 -202651.3120 2344.3140 0.0000 0.0000 52076.8021 -108912.7237 299.2861 -160989.5258 -108539.5185 299.4510 -131.6298 -99.9926 762508.7334 -14.4668 -14.1997 PRESSURE: 1088800 131.511 55.3863 -3.8246 55.3857 -79.411 31.8067 -3.82522 31.8064 -91.9452 GPRESSURE: 1088800 196.329 -11.9381 -18.9698 26.6975 -12.4499 46.1613 -6.07454 108.918 -146.407 PRESSAVG: 1088800 2.12496 -0.170008 34.6402 -0.169938 8.76203 10.5111 34.6402 10.5111 4.30151 GPRESSAVG: 1088800 2.79629 0.101078 35.6151 -0.666445 8.83555 12.5725 33.9241 10.4748 3.82414 TIMING: 1088800 CPU: 3440.37, 0.00313752/step Wall: 3440.37, 0.00313752/step, 3.40874 hours remaining, 233.449219 MB of memory in use. ENERGY: 1088800 3985.3962 20436.4350 14464.9145 252.1168 -202803.2558 2419.0669 0.0000 0.0000 52201.8084 -109043.5180 300.0045 -161245.3264 -108677.9502 299.4627 -13.2818 12.4907 762247.3749 5.0628 5.1520 PRESSURE: 1089000 56.1195 -93.9056 72.5344 -93.9069 -117.376 156.033 72.5348 156.034 206.679 GPRESSURE: 1089000 40.2235 -117.399 70.3809 -105.937 -48.2451 113.389 115.693 147.942 241.142 PRESSAVG: 1089000 46.7558 42.0404 47.0451 42.0403 20.1675 -35.246 47.0451 -35.246 -1.41669 GPRESSAVG: 1089000 47.2278 41.1769 43.6103 41.988 19.2413 -35.2256 49.3535 -35.0281 -0.984325 TIMING: 1089000 CPU: 3441, 0.00314297/step Wall: 3441, 0.00314297/step, 3.41449 hours remaining, 233.449219 MB of memory in use. ENERGY: 1089000 4076.4561 20464.8222 14544.8834 265.9862 -203078.3325 2618.0129 0.0000 0.0000 51980.2015 -109127.9699 298.7309 -161108.1715 -108774.2452 299.5309 48.4741 77.7067 761225.8277 21.8355 21.8283 PRESSURE: 1089200 37.9675 -65.2038 -46.1367 -65.2032 -130.145 -354.218 -46.1375 -354.218 154.963 GPRESSURE: 1089200 26.1837 -84.1661 -47.8591 -170.319 -7.51942 -293.858 29.1229 -151.993 135.235 PRESSAVG: 1089200 0.311045 -15.7616 -21.5165 -15.7616 30.4736 -8.18038 -21.5164 -8.18025 -10.4395 GPRESSAVG: 1089200 -1.41343 -14.089 -20.1717 -16.1141 31.686 -9.69078 -23.0483 -7.93718 -9.75485 TIMING: 1089200 CPU: 3441.63, 0.00315184/step Wall: 3441.63, 0.00315184/step, 3.42394 hours remaining, 233.449219 MB of memory in use. ENERGY: 1089200 4030.2590 20546.9424 14525.9367 242.2246 -203284.7940 2841.7916 0.0000 0.0000 51953.0518 -109144.5879 298.5749 -161097.6397 -108799.2593 299.5561 20.9286 51.2998 761522.4931 6.7817 6.8392 PRESSURE: 1089400 38.8308 -23.5615 -164.218 -23.5619 -49.844 35.3479 -164.218 35.3485 298.565 GPRESSURE: 1089400 43.5579 -7.17595 -183.878 61.9773 -31.9029 51.1366 -184.292 -3.152 346.848 PRESSAVG: 1089400 39.2177 -8.40947 -16.6969 -8.40949 -33.829 -22.7267 -16.6968 -22.7267 6.45003 GPRESSAVG: 1089400 38.9828 -9.32626 -15.1403 -7.66574 -33.5191 -22.5751 -16.6119 -23.0274 6.54072 TIMING: 1089400 CPU: 3442.26, 0.00314472/step Wall: 3442.26, 0.00314472/step, 3.41604 hours remaining, 233.449219 MB of memory in use. ENERGY: 1089400 3982.1258 20351.5897 14482.4435 266.3623 -203520.4866 2891.0991 0.0000 0.0000 52320.3302 -109226.5360 300.6857 -161546.8662 -108860.3396 299.5731 95.8506 119.5011 761626.3182 3.9462 4.0015 PRESSURE: 1089600 260.182 124.962 -112.981 124.962 75.0854 26.7122 -112.981 26.7124 34.8993 GPRESSURE: 1089600 316.385 93.0402 -197.631 119.672 99.2389 69.7898 -111.073 55.4497 32.0191 PRESSAVG: 1089600 52.2272 63.2509 -0.466904 63.2508 -42.0321 -45.876 -0.466894 -45.876 -11.447 GPRESSAVG: 1089600 54.8952 63.9263 -0.989606 62.7765 -42.569 -44.2161 1.24505 -47.9311 -13.6053 TIMING: 1089600 CPU: 3442.89, 0.00316622/step Wall: 3442.89, 0.00316622/step, 3.43922 hours remaining, 233.449219 MB of memory in use. ENERGY: 1089600 4039.0345 20552.5060 14490.5348 228.9781 -203125.0289 2635.6505 0.0000 0.0000 51963.5633 -109214.7616 298.6353 -161178.3249 -108855.9858 299.3697 123.3887 149.2144 761901.1505 -0.4173 -0.4263 PRESSURE: 1089800 349.23 -14.5045 -93.6723 -14.5052 227.478 67.8999 -93.6712 67.8994 10.1591 GPRESSURE: 1089800 392.522 -38.965 -150.312 -77.2214 238.73 79.4178 -69.5401 34.5019 31.6178 PRESSAVG: 1089800 65.0141 -22.2923 31.4913 -22.2923 -2.78492 -2.65932 31.4914 -2.65937 17.7653 GPRESSAVG: 1089800 62.7908 -20.6123 31.4114 -24.1433 -2.51301 -3.40946 29.4389 -0.437112 19.3375 TIMING: 1089800 CPU: 3443.53, 0.0031843/step Wall: 3443.53, 0.00318431/step, 3.45869 hours remaining, 233.449219 MB of memory in use. ENERGY: 1089800 3994.2729 20645.6081 14578.6780 246.1111 -203758.3058 3038.7499 0.0000 0.0000 52079.5588 -109175.3271 299.3019 -161254.8859 -108812.6198 299.5452 195.6223 220.9564 760625.5598 26.6648 26.5384 PRESSURE: 1090000 -210.665 126.436 -12.5975 126.436 -428.509 143.877 -12.5988 143.877 213.268 GPRESSURE: 1090000 -203.132 93.9126 78.7564 139.672 -371.053 174.916 -63.2114 43.0802 228.867 PRESSAVG: 1090000 25.376 21.118 -7.78107 21.118 -28.2725 0.238292 -7.78107 0.238277 0.967151 GPRESSAVG: 1090000 26.3162 19.7447 -7.87624 23.3419 -28.2577 1.79459 -6.78711 -2.17187 0.0803841 TIMING: 1090000 CPU: 3444.16, 0.0031649/step Wall: 3444.16, 0.0031649/step, 3.43744 hours remaining, 233.449219 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: 1090000 3971.6938 20424.1828 14528.9649 245.6924 -203060.7423 2311.8720 0.0000 0.0000 52065.1665 -109513.1700 299.2192 -161578.3365 -109149.9355 299.5206 -141.9686 -115.1060 761801.6952 -0.6431 -0.6204 PRESSURE: 1090200 295.634 74.1812 178.361 74.1808 -291.043 85.1176 178.36 85.1178 -173.155 GPRESSURE: 1090200 274.308 115.878 196.975 -25.2484 -207.593 114.605 226.63 31.2392 -146.113 PRESSAVG: 1090200 -22.5569 14.6995 52.1848 14.6995 31.3093 -8.82756 52.1847 -8.82757 -4.31308 GPRESSAVG: 1090200 -24.2319 13.1284 51.3022 13.5385 32.5502 -10.4349 51.7838 -9.00293 -3.42662 TIMING: 1090200 CPU: 3444.79, 0.00313683/step Wall: 3444.79, 0.00313683/step, 3.40677 hours remaining, 233.449219 MB of memory in use. ENERGY: 1090200 4057.6662 20451.4066 14501.1648 252.0257 -203424.3003 2678.2154 0.0000 0.0000 52131.4352 -109352.3864 299.6001 -161483.8216 -108984.7762 299.0925 -56.1881 -26.4661 760278.2482 1.4798 1.6306 PRESSURE: 1090400 25.5319 -159.995 150.474 -159.996 -83.757 -28.4239 150.475 -28.4227 -204.961 GPRESSURE: 1090400 22.9998 -208.382 135.996 -38.1398 -51.9043 -26.038 84.894 -5.66795 -127.335 PRESSAVG: 1090400 5.96263 23.0207 45.8689 23.0207 15.357 16.2151 45.8689 16.2151 23.3695 GPRESSAVG: 1090400 8.0063 22.8061 47.9845 24.0517 14.1694 16.1005 46.7233 18.0469 22.2491 TIMING: 1090400 CPU: 3445.42, 0.00313393/step Wall: 3445.42, 0.00313393/step, 3.40345 hours remaining, 233.449219 MB of memory in use. ENERGY: 1090400 4001.5868 20306.9950 14482.4552 260.6895 -203268.9201 2634.0796 0.0000 0.0000 52146.1698 -109436.9443 299.6848 -161583.1140 -109068.2600 299.3657 -87.7288 -52.0800 761021.7198 14.8964 14.8083 PRESSURE: 1090600 304.844 -45.7179 -76.4554 -45.7164 167.417 -132.689 -76.4539 -132.69 282.356 GPRESSURE: 1090600 395.406 -12.8061 -69.9483 22.7989 184.682 -79.0081 -99.9049 -135.667 266.116 PRESSAVG: 1090600 40.8515 -27.5643 -12.6986 -27.5643 -36.1951 10.7852 -12.6986 10.7851 11.8258 GPRESSAVG: 1090600 41.1424 -27.9788 -15.1131 -26.5001 -35.8408 10.4852 -14.3923 9.70939 11.6143 TIMING: 1090600 CPU: 3446.04, 0.00311182/step Wall: 3446.04, 0.00311182/step, 3.37926 hours remaining, 233.449219 MB of memory in use. ENERGY: 1090600 4014.8668 20436.1665 14402.6736 240.7306 -203471.3387 2838.8347 0.0000 0.0000 52110.7016 -109427.3649 299.4809 -161538.0665 -109074.2183 299.4488 251.5388 282.0680 759425.5284 5.4941 5.6386 PRESSURE: 1090800 -120.258 -200.085 -52.5106 -200.085 149.426 -180.838 -52.5106 -180.837 -112.154 GPRESSURE: 1090800 -64.1366 -52.7682 45.8539 -98.7121 76.3143 -186.622 -42.3141 -33.2098 -3.152 PRESSAVG: 1090800 57.449 -45.5697 20.8117 -45.5698 -2.09781 19.8091 20.8116 19.8091 -14.1989 GPRESSAVG: 1090800 57.4796 -43.7225 22.82 -47.3201 -3.41027 20.1345 21.8884 19.6398 -12.7871 TIMING: 1090800 CPU: 3446.66, 0.00311626/step Wall: 3446.66, 0.00311626/step, 3.38391 hours remaining, 233.449219 MB of memory in use. ENERGY: 1090800 3950.6412 20287.4212 14521.1533 254.6814 -203560.2310 2560.6486 0.0000 0.0000 52080.6045 -109905.0806 299.3080 -161985.6851 -109547.5967 298.2327 -27.6619 3.0086 760103.2463 13.7174 13.7607 PRESSURE: 1091000 164.155 151.637 -54.444 151.637 130.4 -49.9423 -54.444 -49.9435 467.204 GPRESSURE: 1091000 106.561 16.2021 -113.637 28.123 252.536 -104.488 64.7813 13.3289 507.74 PRESSAVG: 1091000 54.1767 -38.8968 -9.65333 -38.8968 -74.0785 32.3081 -9.65332 32.3081 0.964806 GPRESSAVG: 1091000 54.5094 -39.8236 -11.7779 -38.2698 -72.4073 32.9379 -10.8044 32.3313 -1.22315 TIMING: 1091000 CPU: 3447.29, 0.00312813/step Wall: 3447.29, 0.00312813/step, 3.39663 hours remaining, 233.449219 MB of memory in use. ENERGY: 1091000 3909.5941 20314.7591 14397.7376 246.3989 -203738.3052 2905.4562 0.0000 0.0000 52062.4795 -109901.8798 299.2038 -161964.3593 -109533.1865 297.7646 253.9196 288.9456 760787.7397 -6.3123 -6.3737 PRESSURE: 1091200 275.248 -164.642 -150.007 -164.642 275.692 -134.556 -150.007 -134.555 14.0003 GPRESSURE: 1091200 223.438 -93.2281 -108.27 -177.062 349.674 -197.251 -203.878 -64.8088 72.6835 PRESSAVG: 1091200 46.1086 -69.6318 26.6755 -69.6318 -0.919262 -60.4974 26.6755 -60.4973 15.5079 GPRESSAVG: 1091200 44.7474 -68.5901 27.8934 -68.6074 -2.12087 -60.2773 26.6016 -59.0629 17.8737 TIMING: 1091200 CPU: 3447.92, 0.00314043/step Wall: 3447.92, 0.00314043/step, 3.40981 hours remaining, 233.449219 MB of memory in use. ENERGY: 1091200 3923.7077 20321.5652 14460.7776 250.8771 -203427.6667 2736.8562 0.0000 0.0000 51592.5321 -110141.3509 296.5030 -161733.8830 -109789.5827 297.5939 188.3134 215.2650 761277.8577 20.2324 20.1668 PRESSURE: 1091400 287.865 -104.7 -41.3583 -104.702 105.719 166.529 -41.3584 166.529 279.346 GPRESSURE: 1091400 358.139 -132.673 -29.4902 -106.974 138.66 206.929 -1.88138 52.943 270.996 PRESSAVG: 1091400 3.62037 -81.3232 6.63958 -81.3233 -15.522 -19.8676 6.63955 -19.8676 -8.72183 GPRESSAVG: 1091400 4.99515 -82.2741 7.46828 -81.497 -16.0473 -19.2861 7.6687 -19.5126 -9.61541 TIMING: 1091400 CPU: 3448.54, 0.00313429/step Wall: 3448.54, 0.00313429/step, 3.40296 hours remaining, 233.449219 MB of memory in use. ENERGY: 1091400 3950.7671 20273.3957 14502.7294 238.9494 -203653.1642 3026.1095 0.0000 0.0000 51885.1155 -109776.0975 298.1845 -161661.2131 -109406.0031 297.6898 224.3097 255.9319 762436.6971 -6.8745 -6.8892 PRESSURE: 1091600 -169.449 -92.9022 125.745 -92.9017 141.541 -137.45 125.745 -137.45 -354.163 GPRESSURE: 1091600 -30.012 -94.3355 208.385 -100.906 68.7218 -118.606 176.316 -63.7013 -311.749 PRESSAVG: 1091600 69.8412 -11.4859 20.6788 -11.4859 -56.9189 -68.1127 20.6788 -68.1127 10.2169 GPRESSAVG: 1091600 69.4157 -10.3579 19.0469 -12.425 -55.266 -69.7768 20.836 -70.2743 9.30811 TIMING: 1091600 CPU: 3449.17, 0.0031435/step Wall: 3449.17, 0.0031435/step, 3.41279 hours remaining, 233.449219 MB of memory in use. ENERGY: 1091600 3964.2324 20359.1388 14479.2723 254.0905 -203488.3129 2637.1500 0.0000 0.0000 52002.9869 -109791.4419 298.8619 -161794.4289 -109433.9025 298.1041 -127.3573 -91.0132 761735.5617 7.7131 7.8193 PRESSURE: 1091800 -139.633 10.9945 -252.935 10.9943 161.883 88.1957 -252.936 88.1967 533.676 GPRESSURE: 1091800 -14.577 58.0542 -214.702 -94.7553 155.111 -26.5237 -196.23 13.5607 490.063 PRESSAVG: 1091800 78.02 -42.1837 6.275 -42.1837 -56.8577 -18.5714 6.27498 -18.5714 0.26729 GPRESSAVG: 1091800 77.6773 -43.378 7.73509 -42.9124 -57.9133 -18.8311 6.41086 -18.5205 1.64201 TIMING: 1091800 CPU: 3449.8, 0.00315461/step Wall: 3449.8, 0.00315461/step, 3.42468 hours remaining, 233.449219 MB of memory in use. ENERGY: 1091800 3867.7512 20443.9572 14477.2543 262.4395 -203316.8980 2743.7459 0.0000 0.0000 51998.8597 -109522.8900 298.8382 -161521.7497 -109169.9330 298.6199 185.3087 210.1989 761255.6577 7.1432 7.1353 PRESSURE: 1092000 -177.015 78.7445 83.8066 78.7443 -212.186 181.045 83.8068 181.046 140.992 GPRESSURE: 1092000 -146.768 88.4676 173.538 122.447 -110.425 236.104 -14.5855 169.871 84.2216 PRESSAVG: 1092000 8.04745 -59.5838 10.3625 -59.5838 52.6617 -19.2311 10.3625 -19.2311 -2.76721 GPRESSAVG: 1092000 8.01716 -59.0228 10.7376 -58.0923 52.4245 -17.2852 10.3898 -19.1006 -2.00443 TIMING: 1092000 CPU: 3450.43, 0.00316031/step Wall: 3450.43, 0.00316031/step, 3.43069 hours remaining, 233.449219 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: 1092000 3956.9110 20399.5110 14439.7028 251.2875 -203012.1365 2468.3986 0.0000 0.0000 52097.9036 -109398.4219 299.4074 -161496.3255 -109029.9088 298.9580 -82.7362 -57.6572 762538.8057 19.3140 19.4791 PRESSURE: 1092200 130.686 -7.74927 153.604 -7.75026 -31.9032 -370.447 153.604 -370.447 -363.889 GPRESSURE: 1092200 200.468 -61.2968 121.952 -35.2421 30.0205 -251.314 -26.1959 -324.696 -423.911 PRESSAVG: 1092200 -3.62066 -58.2663 63.5332 -58.2663 28.0697 -1.98678 63.5331 -1.98675 14.8197 GPRESSAVG: 1092200 -4.64912 -59.1362 61.361 -58.2767 29.174 -3.09368 64.2544 -1.30158 15.0615 TIMING: 1092200 CPU: 3451.07, 0.0031597/step Wall: 3451.07, 0.0031597/step, 3.42985 hours remaining, 233.449219 MB of memory in use. ENERGY: 1092200 3986.9735 20572.9752 14460.6768 250.6783 -203055.8660 2596.1407 0.0000 0.0000 52123.9021 -109064.5194 299.5568 -161188.4215 -108697.5249 299.4377 -88.3688 -64.4742 761829.1123 13.0896 13.1955 LDB: ============= START OF LOAD BALANCING ============== 3463.6 LDB: ============== END OF LOAD BALANCING =============== 3463.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3463.6 LDB: ============= START OF LOAD BALANCING ============== 3463.92 LDB: Largest compute 7042 load 0.031417 is 16.1% of average load 0.195282 LDB: Average compute 0.004383 is 2.2% of average load 0.195282 LDB: TIME 3463.93 LOAD: AVG 0.195282 MAX 0.214817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 3463.93 LOAD: AVG 0.195282 MAX 0.214817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.031 MB LDB: TIME 3463.93 LOAD: AVG 0.195282 MAX 0.214817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.031 MB LDB: ============== END OF LOAD BALANCING =============== 3463.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3463.93 PRESSURE: 1092400 -51.2786 -186.137 -45.2812 -186.137 -216.84 -58.4558 -45.281 -58.4569 -151.735 GPRESSURE: 1092400 -66.9854 -255.465 61.23 -111.751 -223.44 -98.4506 -101.977 -6.21015 -66.5197 PRESSAVG: 1092400 79.4677 -64.5354 19.0112 -64.5353 -95.5854 -54.2388 19.0113 -54.2388 3.90374 GPRESSAVG: 1092400 79.9151 -64.7648 19.95 -62.9062 -95.7149 -54.7022 18.7479 -54.6165 3.66633 TIMING: 1092400 CPU: 3451.72, 0.00324563/step Wall: 3451.72, 0.00324563/step, 3.52295 hours remaining, 233.957031 MB of memory in use. ENERGY: 1092400 3969.3712 20490.3538 14490.8931 254.4389 -202901.9450 2434.6024 0.0000 0.0000 51885.5949 -109376.6906 298.1872 -161262.2855 -109010.0937 299.2734 -139.9512 -118.9816 762390.0763 -4.0713 -4.0445 PRESSURE: 1092600 192.472 -49.0808 -159.719 -49.0814 42.8449 224.892 -159.72 224.893 298.875 GPRESSURE: 1092600 272.894 17.0012 -127.404 -83.3635 76.834 200.761 -208.341 96.1649 276.092 PRESSAVG: 1092600 59.7245 -46.9904 -10.9368 -46.9904 -46.1232 -32.0078 -10.9367 -32.0079 7.18404 GPRESSAVG: 1092600 60.7191 -45.6278 -11.8307 -49.237 -47.5404 -30.2483 -9.84637 -34.2772 6.80903 TIMING: 1092600 CPU: 3452.35, 0.00318904/step Wall: 3452.35, 0.00318904/step, 3.46135 hours remaining, 234.160156 MB of memory in use. ENERGY: 1092600 3963.7240 20477.7215 14533.7735 244.1516 -203213.2839 2742.4774 0.0000 0.0000 52013.2292 -109238.2067 298.9207 -161251.4359 -108867.8013 299.4574 178.0640 208.6067 761776.0140 6.9285 6.6626 PRESSURE: 1092800 -360.218 -58.368 230.396 -58.3682 -373.51 -11.7332 230.396 -11.7327 -319.529 GPRESSURE: 1092800 -258.36 -101.633 196.296 15.7441 -433.916 33.1291 227.738 39.1013 -281.527 PRESSAVG: 1092800 45.8126 -1.75026 -1.08677 -1.75027 -48.6732 0.695164 -1.08678 0.695171 14.6877 GPRESSAVG: 1092800 44.9977 -0.74584 -0.723382 -1.71539 -47.9955 -1.19932 -1.47721 3.59597 14.9067 TIMING: 1092800 CPU: 3452.99, 0.00316145/step Wall: 3452.99, 0.00316145/step, 3.43122 hours remaining, 234.160156 MB of memory in use. ENERGY: 1092800 3994.4305 20238.5073 14607.4539 263.8767 -202590.9323 2495.0087 0.0000 0.0000 51802.2511 -109189.4041 297.7082 -160991.6552 -108824.3115 299.3422 -351.0857 -324.6011 763729.8030 3.9424 3.9696 PRESSURE: 1093000 153.051 161.947 -101.294 161.946 305.533 -38.4157 -101.294 -38.4163 29.338 GPRESSURE: 1093000 93.1728 173.248 -178.866 164.286 322.503 -127.05 -150.887 -49.1351 145.793 PRESSAVG: 1093000 -20.3527 20.0652 41.9367 20.0652 -41.0432 18.2707 41.9366 18.2706 -0.841823 GPRESSAVG: 1093000 -20.7663 17.9839 42.1334 20.196 -40.369 19.2333 41.266 17.1791 -0.946551 TIMING: 1093000 CPU: 3453.62, 0.00314865/step Wall: 3453.62, 0.00314865/step, 3.41716 hours remaining, 234.160156 MB of memory in use. ENERGY: 1093000 3936.7529 20562.1773 14474.3489 240.5208 -203121.6619 2705.4424 0.0000 0.0000 52009.8053 -109192.6143 298.9011 -161202.4195 -108837.6524 298.9430 162.6407 187.1563 761701.0117 -20.7459 -20.6939 PRESSURE: 1093200 42.5091 -51.2298 206.37 -51.2305 -501.964 -225.342 206.37 -225.341 156.684 GPRESSURE: 1093200 114.661 8.3098 148.657 -39.6849 -430.186 -217.296 89.8743 -231.833 97.9746 PRESSAVG: 1093200 75.5986 -22.8717 51.6278 -22.8717 -53.347 -19.9017 51.6277 -19.9017 -15.3189 GPRESSAVG: 1093200 75.7719 -21.5059 52.2026 -23.5925 -53.643 -19.3276 51.9311 -18.6887 -14.8756 TIMING: 1093200 CPU: 3454.25, 0.00315489/step Wall: 3454.25, 0.00315489/step, 3.42376 hours remaining, 234.160156 MB of memory in use. ENERGY: 1093200 3962.1031 20438.6156 14439.9284 224.0087 -202997.2540 2489.1518 0.0000 0.0000 51972.3126 -109471.1337 298.6856 -161443.4463 -109108.4530 298.7813 -100.9237 -72.5166 762289.3706 2.3109 2.4178 PRESSURE: 1093400 -48.8201 -39.5436 168.289 -39.5437 267.284 38.1331 168.288 38.1325 -404.948 GPRESSURE: 1093400 -32.283 -76.6472 149.858 -66.1041 301.275 23.072 214.749 -66.0805 -368.259 PRESSAVG: 1093400 -51.362 -28.2353 50.5583 -28.2354 1.68 -12.1229 50.5583 -12.1229 2.53732 GPRESSAVG: 1093400 -51.4364 -29.3588 50.4854 -28.2323 2.47084 -12.7946 50.512 -12.2655 1.27722 TIMING: 1093400 CPU: 3454.88, 0.00315523/step Wall: 3454.88, 0.00315523/step, 3.42395 hours remaining, 234.160156 MB of memory in use. ENERGY: 1093400 3977.4304 20487.9100 14450.7828 261.9775 -203109.6643 2489.4561 0.0000 0.0000 51834.2985 -109607.8090 297.8924 -161442.1075 -109257.0733 298.4669 -62.1614 -33.0888 762437.4897 -15.7149 -15.8961 PRESSURE: 1093600 -221.725 124.655 -32.8055 124.656 -305.853 75.2207 -32.8049 75.2213 415.744 GPRESSURE: 1093600 -180.209 87.2338 -93.7064 24.928 -257.345 50.5526 -51.868 29.8379 406.705 PRESSAVG: 1093600 -10.6236 33.914 28.2546 33.914 21.6996 0.591872 28.2546 0.591818 9.30211 GPRESSAVG: 1093600 -9.74177 34.0841 27.732 33.6904 21.6608 0.221504 28.7735 -0.418093 8.3051 TIMING: 1093600 CPU: 3455.51, 0.00315935/step Wall: 3455.51, 0.00315935/step, 3.42825 hours remaining, 234.160156 MB of memory in use. ENERGY: 1093600 3875.2152 20428.1119 14481.4992 244.9237 -203313.2637 2600.5837 0.0000 0.0000 52043.1926 -109639.7373 299.0929 -161682.9299 -109277.9358 297.9663 -37.2780 -10.2829 762410.3306 6.7927 6.7414 PRESSURE: 1093800 -229.568 -138.82 -196.813 -138.82 -312.279 98.6443 -196.813 98.6436 85.7192 GPRESSURE: 1093800 -274.493 -180.4 -248.129 -146.317 -240.828 79.5727 -260.52 39.2277 130.998 PRESSAVG: 1093800 -6.82676 -19.0311 53.4053 -19.0311 11.8031 -9.42538 53.4052 -9.42548 -16.8395 GPRESSAVG: 1093800 -9.12143 -17.0359 55.1874 -20.5584 11.5623 -8.86344 51.5567 -8.01956 -13.9411 TIMING: 1093800 CPU: 3456.15, 0.00317673/step Wall: 3456.15, 0.00317673/step, 3.44692 hours remaining, 234.160156 MB of memory in use. ENERGY: 1093800 4006.0336 20741.0955 14416.1642 253.8894 -203076.7670 2517.2878 0.0000 0.0000 52022.4034 -109119.8931 298.9735 -161142.2964 -108754.5649 299.0816 -152.0426 -128.1079 762886.8020 -3.9544 -3.8334 PRESSURE: 1094000 275.11 -61.4441 -45.329 -61.4433 191.198 -54.1346 -45.3294 -54.1345 14.4187 GPRESSURE: 1094000 323.588 71.9996 9.27714 7.80221 232.887 -12.0117 126.651 -79.8984 21.9494 PRESSAVG: 1094000 -2.90865 -6.10567 60.6391 -6.10562 19.4317 2.40671 60.639 2.40665 -8.78382 GPRESSAVG: 1094000 -1.97028 -7.83017 59.3637 -2.09401 19.7574 2.99169 62.5754 1.36804 -9.55084 TIMING: 1094000 CPU: 3456.78, 0.00317771/step Wall: 3456.78, 0.00317771/step, 3.44782 hours remaining, 234.160156 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: 1094000 3954.1379 20404.7045 14545.5739 269.3901 -203701.0456 2885.7225 0.0000 0.0000 52140.6450 -109500.8716 299.6530 -161641.5167 -109131.6700 299.8666 160.2421 192.8080 761711.9848 2.5797 2.7454 PRESSURE: 1094200 -195.561 18.5715 -5.2532 18.5721 -272.242 -5.79135 -5.25346 -5.7907 213.132 GPRESSURE: 1094200 -139.944 -18.7349 -54.8228 39.6825 -302.091 -15.4114 14.7023 -47.7849 257.108 PRESSAVG: 1094200 -42.7635 59.5139 40.0784 59.5139 19.8949 -1.90673 40.0785 -1.90668 14.2436 GPRESSAVG: 1094200 -41.9104 58.7401 40.0545 58.7421 19.1555 -2.59332 41.1031 -1.11999 14.5166 TIMING: 1094200 CPU: 3457.41, 0.00316644/step Wall: 3457.41, 0.00316644/step, 3.43541 hours remaining, 234.160156 MB of memory in use. ENERGY: 1094200 4001.9891 20426.5183 14435.8535 233.5056 -203573.6895 2909.1789 0.0000 0.0000 52195.6419 -109371.0021 299.9691 -161566.6440 -109012.6093 299.0695 -84.8902 -61.6422 761317.8497 -2.8750 -2.7461 PRESSURE: 1094400 -477.165 -5.62872 178.741 -5.62812 -162.689 99.2137 178.74 99.2154 -369.818 GPRESSURE: 1094400 -432.458 28.0864 107.893 -10.7279 -160.944 37.5631 159.509 164.875 -336.177 PRESSAVG: 1094400 21.0529 -20.7644 41.025 -20.7644 -32.8747 -18.4048 41.025 -18.4048 -19.4334 GPRESSAVG: 1094400 20.208 -20.4658 41.186 -21.6197 -31.9272 -19.5301 40.0161 -17.6714 -19.3837 TIMING: 1094400 CPU: 3458.05, 0.00316975/step Wall: 3458.05, 0.00316975/step, 3.43883 hours remaining, 234.160156 MB of memory in use. ENERGY: 1094400 3967.1392 20432.5064 14528.2597 242.3487 -202960.4138 2473.9731 0.0000 0.0000 52146.9907 -109169.1959 299.6895 -161316.1867 -108804.4686 299.1869 -336.5575 -309.8598 762924.8279 -10.4184 -10.3676 PRESSURE: 1094600 48.1612 -15.2817 45.1669 -15.2811 108.906 -74.2379 45.167 -74.2384 565.964 GPRESSURE: 1094600 95.1862 -50.7923 69.3853 -8.19574 149.948 -106.599 65.781 23.0244 543.175 PRESSAVG: 1094600 5.69905 -37.5997 89.4189 -37.5997 19.7545 29.4149 89.419 29.415 -7.56206 GPRESSAVG: 1094600 5.60096 -38.0746 88.2514 -36.7363 20.4319 31.3089 89.3573 28.165 -8.23495 TIMING: 1094600 CPU: 3458.68, 0.00315898/step Wall: 3458.68, 0.00315898/step, 3.42696 hours remaining, 234.160156 MB of memory in use. ENERGY: 1094600 4014.1290 20542.7535 14523.4309 255.2538 -203258.6703 2718.4601 0.0000 0.0000 52102.8720 -109101.7709 299.4359 -161204.6429 -108740.2984 298.9884 241.0103 262.7699 761133.6635 5.9638 5.9326 PRESSURE: 1094800 -262.082 -81.716 43.1111 -81.7157 -383.813 221.793 43.1106 221.793 -105.379 GPRESSURE: 1094800 -280.831 -77.8144 83.9475 62.1518 -286.255 251.559 26.8465 147.71 -83.6896 PRESSAVG: 1094800 -58.4463 -17.6992 -47.1168 -17.6992 60.3919 62.9529 -47.1168 62.9529 1.85575 GPRESSAVG: 1094800 -57.3073 -16.1552 -47.2761 -20.5752 59.3065 62.3063 -47.6672 63.0761 2.43358 TIMING: 1094800 CPU: 3459.31, 0.00315697/step Wall: 3459.31, 0.00315697/step, 3.42461 hours remaining, 234.160156 MB of memory in use. ENERGY: 1094800 4084.0552 20557.4889 14483.6278 252.3787 -202632.2985 2357.3515 0.0000 0.0000 52077.1013 -108820.2951 299.2878 -160897.3964 -108454.4328 299.8610 -250.4245 -216.9254 763484.2394 1.2671 1.4776 PRESSURE: 1095000 -209.93 -196.549 -143.31 -196.548 -248.631 -78.6496 -143.309 -78.6498 -363.353 GPRESSURE: 1095000 -155.486 -180.811 -100.915 -106.471 -252.59 -89.1371 -38.5819 -99.3568 -322.809 PRESSAVG: 1095000 -37.0825 -13.0061 -0.341313 -13.006 35.7378 -57.2431 -0.341242 -57.2431 6.78116 GPRESSAVG: 1095000 -36.8524 -14.0282 1.24369 -11.1876 34.8234 -58.1391 0.787437 -55.6629 7.37222 TIMING: 1095000 CPU: 3459.94, 0.00316472/step Wall: 3459.94, 0.00316472/step, 3.43284 hours remaining, 234.160156 MB of memory in use. ENERGY: 1095000 4021.9285 20326.8422 14549.2145 251.5102 -202724.4416 2303.7079 0.0000 0.0000 52543.8161 -108727.4222 301.9700 -161271.2383 -108349.3345 300.5406 -273.9711 -243.6283 761932.3927 1.8121 1.7811 PRESSURE: 1095200 -75.26 -14.1512 -194.06 -14.1504 6.72432 -8.61571 -194.06 -8.61575 -86.0017 GPRESSURE: 1095200 -82.6185 -14.5524 -247.641 -62.9477 100.404 43.4257 -79.5486 54.7047 -90.1185 PRESSAVG: 1095200 -62.0144 -2.68115 28.0829 -2.68114 79.6048 4.8347 28.0829 4.83468 -0.834071 GPRESSAVG: 1095200 -62.2088 -0.210241 28.2408 -2.08153 79.6122 4.91367 26.5151 3.57154 -0.783401 TIMING: 1095200 CPU: 3460.58, 0.00316989/step Wall: 3460.58, 0.00316989/step, 3.43827 hours remaining, 234.160156 MB of memory in use. ENERGY: 1095200 3968.2689 20556.3813 14543.0746 247.0181 -202846.4931 2492.5762 0.0000 0.0000 52310.8514 -108728.3225 300.6312 -161039.1740 -108372.4763 300.4117 -51.5125 -24.1109 761913.0590 5.5854 5.5400 PRESSURE: 1095400 -53.9379 44.5173 -59.5533 44.517 -37.3953 25.2715 -59.5541 25.2714 5.82148 GPRESSURE: 1095400 -51.5134 108.435 4.55013 116.775 52.2938 100.745 10.3553 -91.7773 -8.50199 PRESSAVG: 1095400 -20.3499 3.73075 -16.6117 3.7308 13.7081 0.756821 -16.6117 0.75688 6.99128 GPRESSAVG: 1095400 -21.6484 2.26719 -15.3876 5.52338 15.0818 0.633818 -15.6924 2.26278 6.60984 TIMING: 1095400 CPU: 3461.21, 0.00314887/step Wall: 3461.21, 0.00314887/step, 3.4153 hours remaining, 234.160156 MB of memory in use. ENERGY: 1095400 3976.2545 20479.5789 14565.2701 272.4615 -202753.6042 2442.9958 0.0000 0.0000 52280.1345 -108736.9090 300.4547 -161017.0435 -108371.2817 300.3631 -28.5039 -2.5738 762486.7053 0.1165 0.0144 PRESSURE: 1095600 -188.472 183.159 170.764 183.159 99.4258 -39.7379 170.764 -39.7381 -270.916 GPRESSURE: 1095600 -10.3751 185.414 222.829 65.0297 24.9576 49.4692 119.861 58.7679 -287.459 PRESSAVG: 1095600 -25.268 -8.78169 22.6056 -8.78174 28.5279 15.8551 22.6057 15.855 -6.54941 GPRESSAVG: 1095600 -24.2726 -8.98023 20.2386 -12.334 28.4986 15.7819 22.3496 14.5348 -7.45411 TIMING: 1095600 CPU: 3461.84, 0.00315946/step Wall: 3461.84, 0.00315946/step, 3.42661 hours remaining, 234.160156 MB of memory in use. ENERGY: 1095600 3889.8642 20691.0453 14541.1984 248.7015 -202877.1558 2442.7006 0.0000 0.0000 52421.9505 -108641.6953 301.2697 -161063.6458 -108274.7033 300.4527 -119.9875 -90.9588 761645.6501 -1.0965 -1.0760 PRESSURE: 1095800 -60.2842 12.9712 189.313 12.9722 -547.262 115.755 189.313 115.755 -261.681 GPRESSURE: 1095800 -24.6469 72.6905 187.806 46.2739 -500.299 89.5071 87.6043 -10.3823 -277.267 PRESSAVG: 1095800 -46.7313 -2.02015 47.2694 -2.02021 13.2116 -39.6682 47.2694 -39.6682 -4.24206 GPRESSAVG: 1095800 -46.0516 -2.03483 49.0378 1.5186 12.3171 -40.4035 47.0234 -38.2361 -3.3015 TIMING: 1095800 CPU: 3462.47, 0.00315271/step Wall: 3462.47, 0.00315271/step, 3.41912 hours remaining, 234.160156 MB of memory in use. ENERGY: 1095800 3997.1132 20715.7997 14459.1363 233.2945 -203037.8524 2304.8059 0.0000 0.0000 52479.0842 -108848.6186 301.5980 -161327.7027 -108484.0606 300.7586 -289.7425 -267.4045 762212.5987 -12.5872 -12.3453 PRESSURE: 1096000 -205.267 69.7555 -162.196 69.7554 -126.955 1.50237 -162.196 1.50235 -136.283 GPRESSURE: 1096000 -192.469 109.07 -187.436 40.3319 -99.1592 10.6431 -68.6891 -26.8822 -94.578 PRESSAVG: 1096000 -26.9281 -10.9467 7.56977 -10.9466 9.32018 -2.5896 7.56977 -2.58969 10.4225 GPRESSAVG: 1096000 -26.4826 -10.4796 6.84696 -11.0439 8.10892 -0.379095 8.50898 -4.10833 11.2585 TIMING: 1096000 CPU: 3463.1, 0.003144/step Wall: 3463.1, 0.003144/step, 3.40949 hours remaining, 234.160156 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: 1096000 4055.8814 20634.1062 14443.7587 239.3604 -203120.4118 2503.1420 0.0000 0.0000 52165.9197 -109078.2434 299.7983 -161244.1631 -108713.8578 300.6405 -156.1682 -128.7354 762044.8010 -2.3952 -2.3717 PRESSURE: 1096200 -126.281 39.4631 108.108 39.4635 115.936 158.496 108.108 158.495 -384.062 GPRESSURE: 1096200 -85.3097 -11.1741 80.8717 158.121 84.6494 153.89 169.804 48.2409 -310.971 PRESSAVG: 1096200 18.1985 4.84708 11.9158 4.84704 -24.3987 45.0335 11.9158 45.0335 -33.2255 GPRESSAVG: 1096200 17.8165 4.30036 11.0357 5.04884 -23.3806 42.5133 13.5951 44.4077 -34.206 TIMING: 1096200 CPU: 3463.73, 0.00315187/step Wall: 3463.73, 0.00315187/step, 3.41785 hours remaining, 234.160156 MB of memory in use. ENERGY: 1096200 3993.3250 20534.6915 14491.2368 251.4160 -203019.5715 2387.4932 0.0000 0.0000 52315.9046 -109045.5045 300.6602 -161361.4090 -108683.1792 300.1929 -131.4689 -103.8770 760645.3052 -13.1419 -13.2567 LDB: ============= START OF LOAD BALANCING ============== 3476.26 LDB: ============== END OF LOAD BALANCING =============== 3476.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3476.26 LDB: ============= START OF LOAD BALANCING ============== 3476.58 LDB: Largest compute 7042 load 0.034285 is 17.5% of average load 0.195421 LDB: Average compute 0.004396 is 2.2% of average load 0.195421 LDB: TIME 3476.58 LOAD: AVG 0.195421 MAX 0.215827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.855 MB LDB: TIME 3476.58 LOAD: AVG 0.195421 MAX 0.215827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.855 MB LDB: TIME 3476.58 LOAD: AVG 0.195421 MAX 0.215827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.855 MB LDB: ============== END OF LOAD BALANCING =============== 3476.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3476.59 PRESSURE: 1096400 54.9942 60.062 71.5703 60.0616 -42.6238 133.705 71.5708 133.704 140.532 GPRESSURE: 1096400 87.9085 44.8867 150.551 115.556 41.7556 99.1226 69.1187 82.3127 118.696 PRESSAVG: 1096400 1.16345 23.3254 -70.6377 23.3254 15.4079 47.0158 -70.6377 47.0158 -2.93619 GPRESSAVG: 1096400 0.832052 24.1168 -69.7848 20.753 15.8718 47.2737 -71.9073 47.4794 -2.5349 TIMING: 1096400 CPU: 3464.37, 0.00322213/step Wall: 3464.37, 0.00322213/step, 3.49386 hours remaining, 233.957031 MB of memory in use. ENERGY: 1096400 3920.7561 20435.2536 14526.5926 236.0173 -203547.9889 2760.7511 0.0000 0.0000 52210.5164 -109458.1018 300.0546 -161668.6182 -109099.2715 299.5481 50.9674 82.7868 760278.7592 4.5450 4.7230 PRESSURE: 1096600 -90.7945 30.1207 140.909 30.1213 257.698 66.624 140.91 66.6236 443.297 GPRESSURE: 1096600 -11.4593 80.0865 52.0666 -13.7897 264.794 34.2842 128.375 9.4644 448.181 PRESSAVG: 1096600 23.5218 4.41275 54.1803 4.41271 -30.1063 -58.0217 54.1804 -58.0216 6.03603 GPRESSAVG: 1096600 23.5713 3.43024 53.4049 6.7475 -29.8941 -55.9411 51.2306 -58.0842 5.22631 TIMING: 1096600 CPU: 3465, 0.00315323/step Wall: 3465, 0.00315323/step, 3.41898 hours remaining, 234.160156 MB of memory in use. ENERGY: 1096600 3942.8580 20810.9365 14410.2445 259.3934 -203554.8651 2843.1771 0.0000 0.0000 51974.9544 -109313.3013 298.7008 -161288.2557 -108954.3725 299.0649 203.4002 233.8384 761236.8618 -0.1828 -0.3655 PRESSURE: 1096800 -40.3926 95.0254 -63.5504 95.0245 -67.4485 -172.893 -63.5497 -172.893 -42.8334 GPRESSURE: 1096800 -36.4167 73.249 -109.007 -7.1572 43.6111 -258.512 -0.0531258 -39.609 -52.5183 PRESSAVG: 1096800 -24.8927 13.7362 -0.608243 13.7362 41.3635 -12.1775 -0.6082 -12.1775 -13.8115 GPRESSAVG: 1096800 -25.3308 13.6873 -2.48445 14.2483 41.0161 -13.8262 2.14646 -9.66065 -13.6704 TIMING: 1096800 CPU: 3465.64, 0.00315795/step Wall: 3465.64, 0.00315795/step, 3.42391 hours remaining, 234.160156 MB of memory in use. ENERGY: 1096800 4022.1734 20526.2414 14432.4096 230.6787 -203329.3172 2598.7745 0.0000 0.0000 52174.5831 -109344.4565 299.8480 -161519.0395 -108984.1110 299.9672 -50.2248 -15.1079 762632.4925 0.8864 0.6716 PRESSURE: 1097000 -34.9881 -37.2862 -115.437 -37.2853 80.5125 271.683 -115.438 271.683 -191.928 GPRESSURE: 1097000 48.3798 -16.8358 -90.0347 1.5973 105.514 284.352 -72.3305 234.195 -219.463 PRESSAVG: 1097000 9.86227 9.10518 11.5182 9.10512 -20.9337 9.90633 11.5182 9.90633 6.71146 GPRESSAVG: 1097000 9.27848 7.04484 13.8996 9.37501 -21.1067 10.0095 10.3981 6.41304 6.62843 TIMING: 1097000 CPU: 3466.27, 0.00315938/step Wall: 3466.27, 0.00315938/step, 3.42529 hours remaining, 234.160156 MB of memory in use. ENERGY: 1097000 3985.6281 20598.6025 14459.6376 246.2062 -203349.4424 2718.1367 0.0000 0.0000 51861.8732 -109479.3580 298.0509 -161341.2312 -109116.7870 298.9770 -48.8012 -21.8565 763774.7981 -1.4533 -1.7332 PRESSURE: 1097200 42.4276 84.4015 105.498 84.4015 -82.3235 60.9246 105.497 60.9248 89.8584 GPRESSURE: 1097200 113.163 -11.415 104.659 87.5147 -95.3398 27.5251 52.1276 102.855 109.409 PRESSAVG: 1097200 42.4141 -23.3435 7.81969 -23.3436 -57.6096 5.28463 7.81974 5.28459 6.46006 GPRESSAVG: 1097200 43.7151 -23.375 6.52285 -25.0021 -58.5065 4.93928 9.57022 7.17762 5.78115 TIMING: 1097200 CPU: 3466.89, 0.00312328/step Wall: 3466.89, 0.00312328/step, 3.38598 hours remaining, 234.160156 MB of memory in use. ENERGY: 1097200 3949.5377 20593.4108 14465.5095 235.9308 -203900.1481 2967.6257 0.0000 0.0000 52121.9605 -109566.1732 299.5456 -161688.1337 -109208.0614 299.0323 16.6542 42.4108 762515.5354 -2.9118 -3.0034 PRESSURE: 1097400 -51.8931 -55.3707 -121.558 -55.3704 -21.5407 -114.908 -121.558 -114.908 130.22 GPRESSURE: 1097400 26.1048 -58.1357 -97.9874 127.74 -71.7816 -192.727 -103.732 -120.95 181.949 PRESSAVG: 1097400 34.4446 -51.8633 -35.4736 -51.8633 10.6515 -3.31914 -35.4736 -3.31918 -0.430622 GPRESSAVG: 1097400 32.2386 -50.1292 -33.0291 -52.24 12.8245 -2.58282 -38.5622 -4.14114 -0.286519 TIMING: 1097400 CPU: 3467.52, 0.00314087/step Wall: 3467.52, 0.00314087/step, 3.40488 hours remaining, 234.160156 MB of memory in use. ENERGY: 1097400 3953.6061 20527.8101 14456.1573 227.8099 -203396.5346 2778.8558 0.0000 0.0000 52009.9793 -109442.3162 298.9021 -161452.2955 -109076.1399 299.3560 18.9287 45.4240 761438.7861 14.8885 14.9255 PRESSURE: 1097600 -57.8721 13.9391 -254.444 13.9396 -229.726 93.1839 -254.444 93.1848 272.168 GPRESSURE: 1097600 11.1214 -2.44657 -297.445 1.51771 -235.478 131.8 -160.721 203.36 252.656 PRESSAVG: 1097600 -24.0505 3.9259 -28.3397 3.92591 24.4864 -35.7824 -28.3396 -35.7824 19.0633 GPRESSAVG: 1097600 -23.995 3.52924 -30.4135 4.92301 23.8713 -36.8677 -26.0668 -34.6236 19.4232 TIMING: 1097600 CPU: 3468.15, 0.00313168/step Wall: 3468.15, 0.00313168/step, 3.39475 hours remaining, 234.160156 MB of memory in use. ENERGY: 1097600 3967.0958 20543.2846 14453.2379 273.7778 -203279.5574 2542.3814 0.0000 0.0000 52073.3330 -109426.4469 299.2662 -161499.7799 -109064.5934 299.2419 -5.1435 9.4333 762454.0028 6.4997 6.4332 PRESSURE: 1097800 -185.104 13.0737 -217.386 13.074 -50.4396 33.0667 -217.386 33.0665 22.421 GPRESSURE: 1097800 -146.19 -144.441 -203.041 -48.0644 24.8675 -14.5991 -253.571 55.3788 -4.24424 PRESSAVG: 1097800 -55.9241 23.6863 -13.505 23.6863 22.8066 -5.31633 -13.505 -5.31636 -12.5385 GPRESSAVG: 1097800 -54.9154 24.1419 -12.9892 22.4369 22.7386 -4.15513 -14.3125 -4.16192 -13.2408 TIMING: 1097800 CPU: 3468.77, 0.0031358/step Wall: 3468.77, 0.0031358/step, 3.39904 hours remaining, 234.160156 MB of memory in use. ENERGY: 1097800 4031.0544 20358.1667 14473.7701 244.3312 -203044.4110 2761.8394 0.0000 0.0000 51822.7201 -109352.5291 297.8259 -161175.2492 -108997.1434 298.8502 -71.0409 -41.8555 763037.7432 -15.2186 -15.1392 PRESSURE: 1098000 214.873 -20.8949 -118.077 -20.8947 283.764 -37.6937 -118.078 -37.6934 155.057 GPRESSURE: 1098000 166.254 -135.84 -51.5045 87.2209 433.53 -14.2822 -154.503 -70.6772 128.506 PRESSAVG: 1098000 5.23472 -10.6227 -34.6976 -10.6228 26.3362 -26.1375 -34.6976 -26.1375 0.0944956 GPRESSAVG: 1098000 3.9895 -11.3983 -35.2833 -9.21984 26.8057 -26.7246 -33.6663 -26.7551 0.16623 TIMING: 1098000 CPU: 3469.4, 0.00313823/step Wall: 3469.4, 0.00313823/step, 3.40149 hours remaining, 234.160156 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: 1098000 3972.5952 20536.4435 14420.7840 251.1317 -203723.1737 2973.9359 0.0000 0.0000 52041.8524 -109526.4310 299.0852 -161568.2833 -109178.1907 298.6395 217.8981 242.7633 761367.9531 10.5551 10.3205 PRESSURE: 1098200 -322.62 -69.9391 -9.19642 -69.9388 72.2132 106.446 -9.19542 106.446 104.465 GPRESSURE: 1098200 -266.447 -42.2325 77.9132 21.6841 30.3384 111.199 -70.8708 -24.3495 176.317 PRESSAVG: 1098200 -20.9013 -20.4452 51.9082 -20.4451 -15.8226 20.1183 51.9082 20.1183 3.1159 GPRESSAVG: 1098200 -20.2819 -20.2032 53.2293 -20.1331 -17.3437 20.1115 52.4393 20.7401 4.41637 TIMING: 1098200 CPU: 3470.03, 0.00313307/step Wall: 3470.03, 0.00313307/step, 3.39573 hours remaining, 234.160156 MB of memory in use. ENERGY: 1098200 3969.8311 20549.9134 14394.8745 245.8051 -203464.2005 2819.3614 0.0000 0.0000 52000.2072 -109484.2079 298.8459 -161484.4151 -109126.9376 299.0040 -48.6471 -19.9307 763120.0897 -11.2027 -11.0697 PRESSURE: 1098400 100.092 109.804 40.0354 109.804 383.826 -74.2864 40.0351 -74.2867 286.359 GPRESSURE: 1098400 109.066 38.6228 64.2547 183.006 470.205 -19.3352 75.8868 -101.99 294.231 PRESSAVG: 1098400 -8.20608 -43.5227 41.3221 -43.5227 22.6055 4.72964 41.3221 4.72971 2.54325 GPRESSAVG: 1098400 -8.26894 -44.189 41.9626 -45.4639 22.3281 5.87572 39.3056 3.94623 3.32459 TIMING: 1098400 CPU: 3470.66, 0.00315443/step Wall: 3470.66, 0.00315443/step, 3.4187 hours remaining, 234.160156 MB of memory in use. ENERGY: 1098400 3929.7836 20420.5623 14473.0415 236.6641 -203356.0454 2694.5458 0.0000 0.0000 52219.6529 -109381.7951 300.1071 -161601.4480 -109017.8993 299.3157 256.7590 291.1677 762847.0884 5.6476 5.7946 PRESSURE: 1098600 -367.29 91.5296 -124.149 91.5295 -103.509 -54.3654 -124.149 -54.3672 321.768 GPRESSURE: 1098600 -258.337 117.297 -103.714 123.724 -37.7462 -69.3306 -196.269 -156.127 254.166 PRESSAVG: 1098600 -47.3878 -42.7816 -6.50831 -42.7816 65.2391 -4.30022 -6.50834 -4.30024 2.13573 GPRESSAVG: 1098600 -47.3319 -42.1799 -7.41264 -42.943 66.7825 -5.29834 -5.85583 -4.68674 0.393062 TIMING: 1098600 CPU: 3471.29, 0.00314553/step Wall: 3471.29, 0.00314553/step, 3.40888 hours remaining, 234.160156 MB of memory in use. ENERGY: 1098600 4036.6079 20323.9245 14449.8391 263.7201 -203053.5463 2671.4820 0.0000 0.0000 52160.4473 -109147.5253 299.7668 -161307.9726 -108786.7059 299.3082 -49.6773 -13.9723 763004.6107 6.6624 6.6145 PRESSURE: 1098800 114.018 -265.621 254.583 -265.62 125.88 110.19 254.582 110.189 98.2623 GPRESSURE: 1098800 30.7899 -213.053 181.702 -177.482 230.195 133.76 252.269 160.868 157.241 PRESSAVG: 1098800 -92.537 -76.9339 20.4713 -76.9339 105.452 -3.16352 20.4713 -3.16346 8.52155 GPRESSAVG: 1098800 -91.8459 -75.8185 20.6677 -77.0069 104.448 -2.15112 21.5652 -2.71737 8.68384 TIMING: 1098800 CPU: 3471.92, 0.00314054/step Wall: 3471.92, 0.00314054/step, 3.4033 hours remaining, 234.160156 MB of memory in use. ENERGY: 1098800 3916.5010 20580.1901 14487.7071 251.8676 -203320.3961 2756.1128 0.0000 0.0000 52020.5228 -109307.4947 298.9627 -161328.0175 -108933.6803 299.3935 112.7201 139.4087 763706.8297 7.1454 7.0953 PRESSURE: 1099000 180.134 43.3342 38.5706 43.3343 394.585 4.22203 38.5704 4.22274 45.1095 GPRESSURE: 1099000 206.829 60.7676 71.0761 -64.2322 518.219 18.0321 139.093 29.4432 0.0949865 PRESSAVG: 1099000 -70.5951 12.8439 35.738 12.8439 57.5855 23.8783 35.738 23.8783 7.55878 GPRESSAVG: 1099000 -69.8312 11.799 36.2208 13.644 56.9421 23.6467 34.7711 23.6021 7.66713 TIMING: 1099000 CPU: 3472.54, 0.00312561/step Wall: 3472.54, 0.00312561/step, 3.38695 hours remaining, 234.160156 MB of memory in use. ENERGY: 1099000 3986.2333 20579.8623 14441.5174 240.9666 -203509.5626 2877.0203 0.0000 0.0000 52223.3286 -109160.6342 300.1282 -161383.9628 -108799.9955 299.5827 206.6095 241.7145 763175.8164 -1.8169 -1.7407 PRESSURE: 1099200 -368.026 -113.409 -126.638 -113.409 89.5423 -224.05 -126.637 -224.051 -322.79 GPRESSURE: 1099200 -353.246 6.69413 -135.742 -194.655 56.6737 -262.97 -128.635 -153.159 -241.77 PRESSAVG: 1099200 -55.5827 -27.6321 17.8313 -27.632 19.6075 -17.4896 17.8313 -17.4895 -13.2453 GPRESSAVG: 1099200 -55.9049 -27.8118 16.7274 -28.2888 20.0811 -16.9946 19.2593 -16.0214 -12.8716 TIMING: 1099200 CPU: 3473.17, 0.00314435/step Wall: 3473.17, 0.00314435/step, 3.40708 hours remaining, 234.160156 MB of memory in use. ENERGY: 1099200 4030.2766 20581.5136 14475.4377 268.8573 -203198.9258 2605.8396 0.0000 0.0000 52035.7479 -109201.2530 299.0502 -161237.0009 -108832.8467 299.4809 -200.4246 -179.4474 763827.4261 -16.4068 -16.2318 PRESSURE: 1099400 101.743 -83.8845 359.458 -83.8845 -169.974 117.57 359.459 117.569 -193.421 GPRESSURE: 1099400 73.8805 -120.591 298.1 -3.63552 -88.95 87.6996 411.878 227.42 -163.288 PRESSAVG: 1099400 8.76829 -26.9747 64.1884 -26.9747 23.5339 52.7655 64.1884 52.7655 -7.85177 GPRESSAVG: 1099400 7.47396 -27.3618 64.1297 -27.4316 24.2074 52.0799 64.0061 52.3614 -7.07489 TIMING: 1099400 CPU: 3473.8, 0.00317086/step Wall: 3473.8, 0.00317086/step, 3.43563 hours remaining, 234.160156 MB of memory in use. ENERGY: 1099400 4001.8019 20559.3668 14451.6502 261.3492 -203579.5604 2834.5764 0.0000 0.0000 52292.6396 -109178.1763 300.5265 -161470.8159 -108826.5629 299.5188 -87.2175 -59.4525 763851.0358 8.1501 8.2022 PRESSURE: 1099600 -207.111 119.363 36.4855 119.363 -10.2246 196.993 36.4854 196.992 43.5178 GPRESSURE: 1099600 -142.623 81.8736 -31.9736 99.7093 -75.9905 128.005 -40.3644 205.538 135.151 PRESSAVG: 1099600 -10.2059 -9.92696 80.111 -9.92701 59.5527 27.3487 80.111 27.3487 -9.90704 GPRESSAVG: 1099600 -8.46471 -10.0415 79.604 -9.43868 57.9765 28.0445 80.1195 27.8266 -10.2677 TIMING: 1099600 CPU: 3474.44, 0.00318255/step Wall: 3474.44, 0.00318255/step, 3.44811 hours remaining, 234.160156 MB of memory in use. ENERGY: 1099600 3993.4122 20379.8412 14474.6515 257.8713 -203177.7672 2862.0813 0.0000 0.0000 51894.1518 -109315.7578 298.2364 -161209.9096 -108955.7164 299.4722 -57.9393 -27.8206 762114.9972 13.1466 13.0814 PRESSURE: 1099800 125.893 -61.9329 81.9571 -61.9321 28.1829 -89.0327 81.9566 -89.032 61.5354 GPRESSURE: 1099800 101.331 -94.3269 81.8921 5.224 119.948 -176.888 -3.23123 -132.64 86.3455 PRESSAVG: 1099800 -11.2653 14.7406 27.7892 14.7405 22.3634 -7.38826 27.7892 -7.38828 31.1024 GPRESSAVG: 1099800 -12.6677 16.5622 29.4599 15.2816 23.6311 -8.90311 28.8965 -9.40283 31.4177 TIMING: 1099800 CPU: 3475.07, 0.00315859/step Wall: 3475.07, 0.00315859/step, 3.42198 hours remaining, 234.160156 MB of memory in use. ENERGY: 1099800 3929.8347 20596.4719 14399.8803 250.3494 -203232.7056 2575.9077 0.0000 0.0000 52036.7517 -109443.5100 299.0559 -161480.2617 -109086.7527 299.2644 71.8705 102.5417 763891.1667 14.0668 14.1270 PRESSURE: 1100000 -187.859 -92.436 51.3359 -92.4358 -281.61 10.2491 51.3372 10.2487 14.9779 GPRESSURE: 1100000 -134.928 76.8354 23.2717 -133.144 -209.973 -17.9329 89.1148 60.5694 -24.7035 PRESSAVG: 1100000 14.1348 -12.4358 35.8867 -12.4358 -15.2323 -8.78973 35.8867 -8.7897 5.55334 GPRESSAVG: 1100000 13.2655 -14.4994 35.665 -12.2291 -14.6182 -6.34609 34.3525 -6.77319 5.62803 TIMING: 1100000 CPU: 3475.71, 0.00316119/step Wall: 3475.71, 0.00316119/step, 3.42463 hours remaining, 234.160156 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: 1100000 4030.3608 20469.3168 14481.7132 233.2980 -203225.0722 2554.9527 0.0000 0.0000 52062.1652 -109393.2655 299.2020 -161455.4307 -109029.6321 298.8990 -151.4971 -123.2016 762280.1867 1.4853 1.4251 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.1.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: 1100200 -201.789 -239.168 232.71 -239.167 -371.684 89.4464 232.711 89.4462 -196.149 GPRESSURE: 1100200 -90.412 -203.419 188.367 -209.369 -360.323 124.147 310.347 57.5378 -229.724 PRESSAVG: 1100200 -1.01153 -85.739 -17.9159 -85.739 -19.2517 35.4037 -17.916 35.4037 -6.79531 GPRESSAVG: 1100200 -0.192331 -87.1361 -19.0973 -85.6962 -19.1088 32.5031 -18.4489 37.4039 -6.99837 TIMING: 1100200 CPU: 3476.36, 0.0032963/step Wall: 3476.36, 0.0032963/step, 3.57081 hours remaining, 234.285156 MB of memory in use. ENERGY: 1100200 4048.3582 20599.6703 14417.7380 255.6388 -203276.1455 2525.3543 0.0000 0.0000 52110.1344 -109319.2515 299.4777 -161429.3859 -108970.1453 299.0012 -256.5408 -226.8195 762104.5638 -9.0195 -8.7665 LDB: ============= START OF LOAD BALANCING ============== 3488.9 LDB: ============== END OF LOAD BALANCING =============== 3488.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3488.9 LDB: ============= START OF LOAD BALANCING ============== 3489.22 LDB: Largest compute 7042 load 0.031930 is 16.3% of average load 0.195414 LDB: Average compute 0.004376 is 2.2% of average load 0.195414 LDB: TIME 3489.22 LOAD: AVG 0.195414 MAX 0.217618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.824 MB LDB: TIME 3489.22 LOAD: AVG 0.195414 MAX 0.217618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.027 MB LDB: TIME 3489.22 LOAD: AVG 0.195414 MAX 0.217618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.027 MB LDB: ============== END OF LOAD BALANCING =============== 3489.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3489.23 PRESSURE: 1100400 102.329 -186.811 90.583 -186.811 225.442 12.6903 90.5823 12.6908 -353.582 GPRESSURE: 1100400 113.006 -154.175 119.924 -90.409 170.757 -21.8833 159.531 -44.9005 -229.205 PRESSAVG: 1100400 -41.0858 -16.5232 40.6223 -16.5232 6.32813 -12.5575 40.6223 -12.5575 -17.2659 GPRESSAVG: 1100400 -40.9078 -15.7738 41.7297 -16.9559 6.15872 -10.2575 42.0945 -16.3524 -16.8179 TIMING: 1100400 CPU: 3477.01, 0.0032446/step Wall: 3477.01, 0.0032446/step, 3.51462 hours remaining, 233.300781 MB of memory in use. ENERGY: 1100400 3958.3808 20657.5662 14467.5381 236.2423 -203482.3308 2720.9358 0.0000 0.0000 52213.0559 -109228.6118 300.0691 -161441.6676 -108864.9373 299.1199 -8.6034 18.1857 763749.9471 -17.3412 -17.1890 PRESSURE: 1100600 -105.893 -192.657 -27.8217 -192.657 -3.96549 -72.4484 -27.821 -72.4481 -569.838 GPRESSURE: 1100600 -77.3141 -84.044 -95.2687 -242.299 -7.52093 -80.2329 -9.46607 -100.423 -510.97 PRESSAVG: 1100600 0.991374 -15.1393 26.8412 -15.1393 35.2318 -52.6676 26.8412 -52.6675 -5.59995 GPRESSAVG: 1100600 2.1227 -14.2483 25.2744 -16.8754 34.9057 -53.0057 26.8013 -51.7479 -6.15842 TIMING: 1100600 CPU: 3477.65, 0.00316044/step Wall: 3477.65, 0.00316044/step, 3.42329 hours remaining, 233.503906 MB of memory in use. ENERGY: 1100600 4083.2047 20456.3919 14512.1086 244.4479 -203476.3688 2639.2245 0.0000 0.0000 52478.5343 -109062.4570 301.5949 -161540.9913 -108686.0744 299.7659 -226.5656 -198.6017 762424.3432 10.2078 10.2900 PRESSURE: 1100800 -526.324 -11.7228 112.741 -11.7235 -152.422 320.396 112.74 320.397 64.5655 GPRESSURE: 1100800 -434.16 45.9994 141.4 -35.4643 -137.213 271.972 -5.84188 188.251 26.8866 PRESSAVG: 1100800 -26.3759 -45.7739 52.0181 -45.7739 47.6454 35.2876 52.018 35.2877 -17.2172 GPRESSAVG: 1100800 -26.5459 -44.0291 52.2431 -46.2293 46.5584 35.0496 50.8663 35.4546 -15.8918 TIMING: 1100800 CPU: 3478.28, 0.00316254/step Wall: 3478.28, 0.00316254/step, 3.42538 hours remaining, 233.777344 MB of memory in use. ENERGY: 1100800 4077.2774 20697.4611 14447.8592 240.5129 -203028.2208 2316.3441 0.0000 0.0000 52189.4945 -109059.2717 299.9337 -161248.7662 -108680.3588 299.9758 -204.7267 -181.4955 762853.7293 1.3508 1.3736 PRESSURE: 1101000 256.959 183.39 26.9922 183.391 175.464 -216.085 26.9912 -216.087 32.1412 GPRESSURE: 1101000 200.256 98.4467 40.9464 133.347 266.666 -150.506 45.1264 -321.638 83.9106 PRESSAVG: 1101000 -39.2506 -41.7365 -4.62632 -41.7365 47.1267 -22.0593 -4.6263 -22.0592 6.23352 GPRESSAVG: 1101000 -39.6244 -43.9821 -3.91941 -40.4068 48.78 -23.5589 -4.9725 -21.6079 5.28911 TIMING: 1101000 CPU: 3478.91, 0.003159/step Wall: 3478.91, 0.003159/step, 3.42137 hours remaining, 233.980469 MB of memory in use. ENERGY: 1101000 4040.5707 20540.7886 14401.8995 238.7688 -203418.9038 2883.1110 0.0000 0.0000 52100.1506 -109213.6146 299.4203 -161313.7652 -108856.7305 299.7465 154.8547 183.6109 761164.8892 4.7032 4.8149 PRESSURE: 1101200 -393.507 -44.9049 17.4252 -44.905 186.253 -7.43955 17.4252 -7.43971 -247.058 GPRESSURE: 1101200 -313.369 79.7038 -73.6585 116.124 170.461 -116.788 -114.707 12.8136 -228.523 PRESSAVG: 1101200 -0.398667 -15.8611 15.9253 -15.8611 0.810985 -36.2695 15.9252 -36.2694 -22.0772 GPRESSAVG: 1101200 -0.0918493 -16.1833 15.3408 -14.923 -0.0276647 -35.9547 15.8472 -36.5286 -21.4028 TIMING: 1101200 CPU: 3479.54, 0.00316525/step Wall: 3479.54, 0.00316525/step, 3.42797 hours remaining, 233.980469 MB of memory in use. ENERGY: 1101200 3989.9946 20443.7046 14464.8009 248.4999 -203040.8429 2355.0061 0.0000 0.0000 52163.8809 -109374.9559 299.7865 -161538.8368 -109009.8837 299.3394 -151.4373 -123.8105 761710.5975 -7.2216 -7.1741 PRESSURE: 1101400 -82.5465 95.0062 -92.3447 95.0059 256.129 -30.6841 -92.3453 -30.6841 -253.413 GPRESSURE: 1101400 1.02585 -57.9075 -124.101 -69.1894 219.589 -66.8026 -79.9749 -4.68219 -197.379 PRESSAVG: 1101400 -13.2373 -26.8922 -26.4421 -26.8923 12.618 -2.48641 -26.4421 -2.48637 -10.8071 GPRESSAVG: 1101400 -13.3214 -26.7244 -26.3558 -28.156 14.2623 -0.16618 -26.0558 -2.31152 -12.0172 TIMING: 1101400 CPU: 3480.17, 0.00315903/step Wall: 3480.17, 0.00315903/step, 3.42105 hours remaining, 233.980469 MB of memory in use. ENERGY: 1101400 3997.0635 20440.8970 14518.5294 249.0633 -203591.3888 2876.0120 0.0000 0.0000 51976.5305 -109533.2930 298.7098 -161509.8235 -109167.0217 299.1116 -26.6101 7.7453 761863.2566 -3.8088 -3.6921 PRESSURE: 1101600 -171.279 -28.5958 -137.08 -28.5962 -205.269 98.6727 -137.079 98.6725 44.1937 GPRESSURE: 1101600 -90.4049 -27.8706 -108.765 -108.682 -160.296 32.8845 -157.489 60.2984 8.09836 PRESSAVG: 1101600 -50.1162 -27.6571 25.4757 -27.6571 5.47931 2.56549 25.4756 2.56547 7.46773 GPRESSAVG: 1101600 -50.517 -28.1562 25.4411 -28.9548 4.61453 0.558014 25.306 1.8779 8.86508 TIMING: 1101600 CPU: 3480.81, 0.00315268/step Wall: 3480.81, 0.00315268/step, 3.414 hours remaining, 233.980469 MB of memory in use. ENERGY: 1101600 3987.2328 20445.9176 14412.4966 243.1164 -203163.9301 2434.7092 0.0000 0.0000 52150.2129 -109490.2447 299.7080 -161640.4575 -109119.0547 299.1757 -110.7846 -80.8676 763682.9146 -12.3897 -12.3458 PRESSURE: 1101800 -136.853 1.07293 -45.3627 1.07232 273.483 266.75 -45.3624 266.75 -184.751 GPRESSURE: 1101800 -115.344 38.634 70.8893 17.6024 201.396 297.183 -71.7738 315.819 -72.6452 PRESSAVG: 1101800 -34.7623 -8.49635 4.73597 -8.49635 3.59228 -10.5128 4.73597 -10.5129 1.61426 GPRESSAVG: 1101800 -34.5543 -7.48104 6.39295 -7.13316 4.40445 -9.50629 5.81756 -10.0616 0.770803 TIMING: 1101800 CPU: 3481.44, 0.00317106/step Wall: 3481.44, 0.00317106/step, 3.43372 hours remaining, 233.980469 MB of memory in use. ENERGY: 1101800 4076.7146 20562.9958 14474.6352 246.7223 -203610.5558 2858.0746 0.0000 0.0000 52102.4573 -109288.9559 299.4335 -161391.4132 -108924.8065 298.8645 -16.0404 4.4689 762669.9794 -9.8519 -9.7930 PRESSURE: 1102000 289.867 -18.525 263.384 -18.5247 -38.1426 27.0432 263.386 27.043 -394.796 GPRESSURE: 1102000 268.757 -122.335 240.319 -2.42914 3.25753 19.1838 250.5 9.5978 -331.017 PRESSAVG: 1102000 -25.6613 33.2215 -19.1867 33.2215 36.7182 20.6917 -19.1867 20.6917 -3.50349 GPRESSAVG: 1102000 -26.297 33.7436 -22.0881 34.8889 36.4837 20.1673 -20.195 22.068 -2.85948 TIMING: 1102000 CPU: 3482.07, 0.00317377/step Wall: 3482.07, 0.00317377/step, 3.43649 hours remaining, 233.980469 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: 1102000 4006.4465 20542.8034 14449.0096 249.8658 -203310.4995 2828.6869 0.0000 0.0000 52002.1099 -109231.5774 298.8568 -161233.6873 -108864.5276 298.8703 -47.6905 -19.6677 762818.2054 2.5178 2.4424 PRESSURE: 1102200 -235.341 -110.354 -81.4257 -110.354 -130.172 29.6917 -81.4264 29.6917 98.0839 GPRESSURE: 1102200 -265.675 -165.841 -108.389 -104.649 -59.9467 6.03009 -9.17725 -70.9767 157.288 PRESSAVG: 1102200 34.8635 8.62204 3.76066 8.62202 -46.9307 -15.5399 3.76062 -15.5399 18.4567 GPRESSAVG: 1102200 34.5472 8.06342 4.17237 7.52427 -47.2952 -14.9876 4.38132 -17.2409 18.4918 TIMING: 1102200 CPU: 3482.71, 0.00316191/step Wall: 3482.71, 0.00316191/step, 3.42347 hours remaining, 233.980469 MB of memory in use. ENERGY: 1102200 4064.4848 20541.8547 14541.1174 257.0503 -203226.4826 2639.1053 0.0000 0.0000 52031.5205 -109151.3497 299.0259 -161182.8702 -108791.9531 299.1620 -89.1430 -56.1114 761471.4972 2.1298 1.9146 PRESSURE: 1102400 220.103 110.196 -41.707 110.197 111.984 257.324 -41.707 257.324 80.2875 GPRESSURE: 1102400 206.532 135.709 -64.0414 116.074 129.619 159.251 -50.8182 239.474 161.749 PRESSAVG: 1102400 20.2437 -2.03834 45.2273 -2.03834 -12.2626 -7.81275 45.2272 -7.81277 20.4852 GPRESSAVG: 1102400 20.6324 -1.34429 44.6506 -1.27992 -12.0569 -8.167 47.67 -7.9723 20.444 TIMING: 1102400 CPU: 3483.34, 0.00314847/step Wall: 3483.34, 0.00314847/step, 3.40874 hours remaining, 233.980469 MB of memory in use. ENERGY: 1102400 4101.3442 20466.3296 14465.7038 240.6579 -203475.0529 2804.0264 0.0000 0.0000 52150.3089 -109246.6820 299.7085 -161396.9909 -108874.8486 299.6089 137.4581 165.9667 761007.2977 9.4888 9.6732 PRESSURE: 1102600 89.2379 177.651 139.652 177.65 -34.9121 76.9853 139.652 76.985 -99.3139 GPRESSURE: 1102600 43.7404 123.787 215.452 188.474 24.3748 62.3463 87.4981 67.5298 -42.7427 PRESSAVG: 1102600 14.7129 -27.7758 27.0623 -27.7758 -24.5275 48.1558 27.0623 48.1559 11.358 GPRESSAVG: 1102600 14.9678 -27.8286 28.402 -27.8754 -25.7079 48.6423 25.2984 48.1179 11.8143 TIMING: 1102600 CPU: 3483.97, 0.00315639/step Wall: 3483.97, 0.00315639/step, 3.41714 hours remaining, 233.980469 MB of memory in use. ENERGY: 1102600 3992.9765 20554.7631 14501.9347 247.3134 -203137.0326 2632.1777 0.0000 0.0000 52096.8183 -109111.0490 299.4011 -161207.8673 -108756.3756 299.4109 -14.9961 8.4575 760675.6250 0.5145 0.3580 PRESSURE: 1102800 294.012 -82.0615 133.179 -82.0612 -377.316 0.99851 133.179 0.997702 -224.226 GPRESSURE: 1102800 184.791 21.7302 154.392 -108.933 -128.277 -107.315 117.098 96.5789 -278.651 PRESSAVG: 1102800 19.8788 -37.3943 31.8139 -37.3943 -31.4022 35.3005 31.8139 35.3005 -11.3615 GPRESSAVG: 1102800 19.9514 -35.9911 31.8096 -39.7503 -30.7316 34.2118 32.256 36.6885 -12.3618 TIMING: 1102800 CPU: 3484.6, 0.00314572/step Wall: 3484.6, 0.00314572/step, 3.40541 hours remaining, 233.980469 MB of memory in use. ENERGY: 1102800 4068.9309 20670.4869 14408.3490 246.0669 -203172.3924 2628.8950 0.0000 0.0000 51946.7871 -109202.8764 298.5389 -161149.6636 -108833.7277 299.5019 -102.5099 -74.0459 762902.5770 -7.6283 -7.7140 PRESSURE: 1103000 85.4882 -104.564 37.9779 -104.564 32.6627 -273.412 37.9783 -273.412 507.3 GPRESSURE: 1103000 156.144 -129.338 -57.022 -179.401 39.5972 -159.918 47.2585 -187.244 522.306 PRESSAVG: 1103000 -1.03373 -23.8866 32.8962 -23.8866 39.0006 4.92208 32.8962 4.92205 18.2454 GPRESSAVG: 1103000 -0.453173 -24.3657 33.3354 -23.7367 39.3423 6.88997 31.5939 4.09786 17.3042 TIMING: 1103000 CPU: 3485.22, 0.00314145/step Wall: 3485.22, 0.00314145/step, 3.40062 hours remaining, 233.980469 MB of memory in use. ENERGY: 1103000 3927.0757 20552.1926 14525.4320 240.3668 -202941.1926 2513.0691 0.0000 0.0000 52122.3797 -109060.6767 299.5480 -161183.0564 -108705.2493 299.4318 208.4837 239.3491 761447.8147 18.7374 18.7311 PRESSURE: 1103200 -87.3096 136.417 -8.45307 136.416 -72.2234 -98.2959 -8.4531 -98.296 13.1704 GPRESSURE: 1103200 -70.0386 106.697 35.6376 166.723 -0.367244 -113.375 99.9694 -127.85 6.21847 PRESSAVG: 1103200 15.1972 7.27129 43.3856 7.27127 24.324 16.0776 43.3856 16.0776 -17.7693 GPRESSAVG: 1103200 14.8047 4.54238 43.3325 10.6989 23.9651 15.2948 42.8821 16.1518 -17.813 TIMING: 1103200 CPU: 3485.86, 0.00315769/step Wall: 3485.86, 0.00315769/step, 3.41802 hours remaining, 233.980469 MB of memory in use. ENERGY: 1103200 3953.2421 20754.0249 14518.8730 259.3464 -202899.1936 2575.1284 0.0000 0.0000 51812.1777 -109026.4010 297.7653 -160838.5788 -108673.0775 299.7523 -48.7875 -21.3958 761079.1288 7.2506 6.9856 PRESSURE: 1103400 142.088 206.078 -76.2765 206.077 -259.325 216.562 -76.2759 216.561 177.912 GPRESSURE: 1103400 232.189 182.61 -97.0365 82.3011 -239.428 43.9793 -116.552 31.3846 148.928 PRESSAVG: 1103400 14.8507 -20.1303 -21.3405 -20.1304 22.1705 74.8024 -21.3405 74.8024 -0.971729 GPRESSAVG: 1103400 14.7443 -18.1409 -22.4992 -21.0111 22.0059 74.4255 -21.9664 73.4201 -0.653185 TIMING: 1103400 CPU: 3486.49, 0.0031465/step Wall: 3486.49, 0.0031465/step, 3.40573 hours remaining, 233.980469 MB of memory in use. ENERGY: 1103400 4028.2916 20611.2230 14514.2092 247.3425 -203352.9833 2795.5274 0.0000 0.0000 52366.0648 -108790.3248 300.9485 -161156.3897 -108431.1300 300.0694 20.2250 47.2297 760637.7004 12.0165 12.0324 PRESSURE: 1103600 -250.42 -77.5345 135.615 -77.534 235.676 33.4438 135.615 33.4437 201.751 GPRESSURE: 1103600 -128.986 -112.225 113.158 -93.1278 254.772 64.2721 121.894 26.2282 122.297 PRESSAVG: 1103600 3.68115 -2.88863 -68.664 -2.88869 10.3854 7.75151 -68.664 7.75148 11.0812 GPRESSAVG: 1103600 5.38107 -5.90797 -69.7747 -3.92409 9.38245 7.05391 -66.3356 9.20563 10.7453 TIMING: 1103600 CPU: 3487.12, 0.00314981/step Wall: 3487.12, 0.00314981/step, 3.40914 hours remaining, 233.980469 MB of memory in use. ENERGY: 1103600 4004.2149 20576.9018 14510.1920 254.5252 -202860.1904 2284.4977 0.0000 0.0000 52166.2965 -109063.5625 299.8004 -161229.8589 -108694.7878 300.3889 62.3356 82.6943 760843.9709 8.3826 8.5029 PRESSURE: 1103800 -370.717 -77.4526 -231.08 -77.4524 -232.429 -133.35 -231.08 -133.349 16.9723 GPRESSURE: 1103800 -226.021 -98.9284 -315.087 124.219 -242.933 -118.239 -248.875 -23.4823 -46.1852 PRESSAVG: 1103800 -24.7116 4.41741 -26.1988 4.41737 30.4797 37.1858 -26.1987 37.1859 3.09863 GPRESSAVG: 1103800 -25.2539 6.3227 -26.0074 5.97849 30.7456 37.4436 -26.6268 37.7344 3.08119 TIMING: 1103800 CPU: 3487.75, 0.00315817/step Wall: 3487.75, 0.00315817/step, 3.41802 hours remaining, 233.980469 MB of memory in use. ENERGY: 1103800 4002.3060 20803.1485 14508.1512 248.8154 -203123.7407 2494.6376 0.0000 0.0000 52154.0169 -108912.6651 299.7299 -161066.6820 -108548.0022 300.3390 -195.3910 -171.7131 760427.4237 2.9556 2.8576 PRESSURE: 1104000 195.456 -88.9559 174.61 -88.9555 -67.1124 -32.3274 174.61 -32.3285 450.971 GPRESSURE: 1104000 298.561 -52.4964 214.245 -95.2877 -68.0006 -109.551 132.794 -83.1105 437.143 PRESSAVG: 1104000 -35.9999 42.9534 -22.9451 42.9535 -22.4827 -34.8127 -22.9452 -34.8127 19.4015 GPRESSAVG: 1104000 -36.2745 43.7643 -20.3187 42.0595 -22.7866 -34.3526 -22.8833 -35.2881 20.1791 TIMING: 1104000 CPU: 3488.38, 0.00314597/step Wall: 3488.38, 0.00314597/step, 3.40464 hours remaining, 233.980469 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: 1104000 3993.8478 20479.3131 14384.8805 254.2233 -202956.5902 2583.0125 0.0000 0.0000 52208.9781 -109052.3349 300.0457 -161261.3130 -108695.1319 300.0723 193.1048 222.5677 760480.0706 -13.0270 -12.9607 PRESSURE: 1104200 334.816 -306.679 116.551 -306.678 -65.7928 -281.805 116.55 -281.805 338.863 GPRESSURE: 1104200 379.742 -284.249 126.927 -388.112 52.3492 -250.312 -96.4477 -308.695 275.506 PRESSAVG: 1104200 -81.1566 -3.22609 7.71797 -3.2261 51.9143 29.9004 7.71791 29.9003 6.21997 GPRESSAVG: 1104200 -80.4254 -1.83133 5.09781 -3.50864 52.2111 30.0607 7.38445 32.0958 4.88882 TIMING: 1104200 CPU: 3489.01, 0.00315761/step Wall: 3489.01, 0.00315761/step, 3.41706 hours remaining, 233.980469 MB of memory in use. ENERGY: 1104200 4050.8174 20592.8182 14470.7939 267.2294 -203544.9147 2880.1418 0.0000 0.0000 52361.8540 -108921.2600 300.9243 -161283.1140 -108562.5480 300.5721 202.6287 235.8660 760232.7684 -7.6741 -7.7752 LDB: ============= START OF LOAD BALANCING ============== 3501.54 LDB: ============== END OF LOAD BALANCING =============== 3501.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3501.54 LDB: ============= START OF LOAD BALANCING ============== 3501.86 LDB: Largest compute 7042 load 0.033801 is 17.3% of average load 0.195352 LDB: Average compute 0.004388 is 2.2% of average load 0.195352 LDB: TIME 3501.86 LOAD: AVG 0.195352 MAX 0.213565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.391 MB LDB: TIME 3501.86 LOAD: AVG 0.195352 MAX 0.213565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: TIME 3501.86 LOAD: AVG 0.195352 MAX 0.213565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: ============== END OF LOAD BALANCING =============== 3501.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3501.87 PRESSURE: 1104400 -111.822 -12.4399 -27.3917 -12.4397 312.715 -30.8224 -27.391 -30.8215 79.0647 GPRESSURE: 1104400 -67.2789 -94.9447 -20.7774 -74.8 331.004 50.4129 -32.7827 -117.296 111.454 PRESSAVG: 1104400 -36.3189 6.13462 -14.2494 6.1346 31.6172 -45.6789 -14.2495 -45.6789 -8.56912 GPRESSAVG: 1104400 -37.534 4.49712 -12.9681 4.55703 31.9801 -45.1751 -14.5444 -48.759 -6.91247 TIMING: 1104400 CPU: 3489.65, 0.00323116/step Wall: 3489.65, 0.00323116/step, 3.49647 hours remaining, 232.933594 MB of memory in use. ENERGY: 1104400 3978.8605 20662.1880 14495.2793 264.7483 -203043.2959 2447.0964 0.0000 0.0000 52187.8389 -109007.2845 299.9242 -161195.1234 -108646.2568 300.0949 93.3193 125.0600 760957.6538 -4.4236 -4.1554 PRESSURE: 1104600 66.9488 -68.3682 -138.554 -68.3674 -133.46 -37.0062 -138.555 -37.0064 182.779 GPRESSURE: 1104600 149.685 -166.576 -91.1108 -56.4056 -47.6076 23.5815 -68.1665 38.3275 110.708 PRESSAVG: 1104600 -28.0957 -70.7382 0.974053 -70.7383 68.8585 27.4487 0.97407 27.4488 -5.24837 GPRESSAVG: 1104600 -28.9781 -69.6927 1.09773 -68.952 69.6692 26.1257 1.13011 28.3977 -4.96447 TIMING: 1104600 CPU: 3490.29, 0.00317431/step Wall: 3490.29, 0.00317431/step, 3.43478 hours remaining, 233.136719 MB of memory in use. ENERGY: 1104600 4046.6094 20514.5532 14453.1025 257.7220 -203410.9868 2788.2020 0.0000 0.0000 52277.0010 -109073.7966 300.4366 -161350.7976 -108711.3460 300.0048 38.7560 70.9284 761098.9756 11.8382 11.9089 PRESSURE: 1104800 -169.338 -36.2202 -52.0728 -36.2195 -136.285 -109.577 -52.0724 -109.577 -101.919 GPRESSURE: 1104800 -153.812 -33.928 -84.8561 90.3074 -81.8273 -145.862 15.385 -86.7849 -69.0673 PRESSAVG: 1104800 -18.026 0.461919 -14.9909 0.461911 11.3269 9.00073 -14.9909 9.00072 6.45601 GPRESSAVG: 1104800 -17.27 -0.259802 -14.4197 1.19949 12.2177 9.51228 -15.1406 9.83796 5.2754 TIMING: 1104800 CPU: 3490.92, 0.00317226/step Wall: 3490.92, 0.00317226/step, 3.43239 hours remaining, 233.136719 MB of memory in use. ENERGY: 1104800 4005.7626 20667.0389 14490.5935 243.4841 -203222.3283 2565.6774 0.0000 0.0000 52186.9638 -109062.8080 299.9192 -161249.7718 -108704.3494 299.8610 -135.8475 -101.5689 760546.1890 -0.0810 0.0744 PRESSURE: 1105000 21.4785 62.1611 115.598 62.1604 281.976 54.7591 115.597 54.7591 170.194 GPRESSURE: 1105000 -9.04292 -109.404 109.29 78.303 349.043 60.1667 157.233 97.0953 213.817 PRESSAVG: 1105000 -63.0245 -1.49658 0.693453 -1.49664 68.536 32.8842 0.6934 32.8842 1.25856 GPRESSAVG: 1105000 -64.8398 -0.941882 -2.40403 -4.15681 68.7917 32.3265 3.20768 33.5096 2.39526 TIMING: 1105000 CPU: 3491.55, 0.00314398/step Wall: 3491.55, 0.00314398/step, 3.40161 hours remaining, 233.136719 MB of memory in use. ENERGY: 1105000 4018.8603 20668.2953 14513.4380 253.9054 -203203.1688 2680.6718 0.0000 0.0000 52183.7444 -108884.2535 299.9007 -161067.9979 -108529.0891 300.0169 157.8827 184.6054 761496.9905 2.2567 2.1157 PRESSURE: 1105200 -150.643 -151.771 -156.976 -151.771 -255.153 -103.957 -156.975 -103.958 56.3843 GPRESSURE: 1105200 -155.385 -170.694 -183.997 -160.423 -169.372 -17.0025 -122.883 -109.394 66.34 PRESSAVG: 1105200 -27.1737 33.9959 7.54774 33.9959 -2.22368 -43.0335 7.54778 -43.0335 13.6757 GPRESSAVG: 1105200 -25.0953 32.6878 9.78094 35.7525 -2.90602 -41.6651 5.13261 -43.2598 12.614 TIMING: 1105200 CPU: 3492.18, 0.00315747/step Wall: 3492.18, 0.00315747/step, 3.41603 hours remaining, 233.136719 MB of memory in use. ENERGY: 1105200 4015.6267 20514.0413 14539.6656 234.8060 -202896.5334 2330.5403 0.0000 0.0000 52390.9944 -108870.8591 301.0918 -161261.8535 -108512.8582 300.5248 -116.4703 -86.1391 761656.0514 -5.2406 -5.1291 PRESSURE: 1105400 -54.9737 184.707 152.887 184.708 188.035 -84.4615 152.887 -84.4604 15.8693 GPRESSURE: 1105400 -19.5339 320.76 163.657 209.442 243.519 -67.6885 141.826 -131.656 4.68026 PRESSAVG: 1105400 -7.02277 -18.7386 23.9075 -18.7386 33.7901 -66.8267 23.9075 -66.8266 -0.132384 GPRESSAVG: 1105400 -7.08773 -18.2643 23.6664 -19.3731 34.27 -67.7754 24.9236 -69.1274 -0.247975 TIMING: 1105400 CPU: 3492.81, 0.00314557/step Wall: 3492.81, 0.00314557/step, 3.40298 hours remaining, 233.136719 MB of memory in use. ENERGY: 1105400 4004.1274 20630.7328 14466.2487 258.7484 -203216.3953 2649.2330 0.0000 0.0000 52232.6969 -108974.6081 300.1820 -161207.3050 -108606.7761 300.4148 49.6435 76.2219 761425.5603 8.8783 8.9781 PRESSURE: 1105600 -167.234 42.2026 116.137 42.2036 270.746 70.9212 116.137 70.9216 265.197 GPRESSURE: 1105600 -162.479 -16.8105 72.2158 55.0203 304.287 32.498 120.205 119.893 299.545 PRESSAVG: 1105600 -25.2212 -13.0865 29.2933 -13.0865 23.925 -40.5843 29.2933 -40.5843 1.75491 GPRESSAVG: 1105600 -25.5586 -10.5373 28.618 -14.4617 24.3357 -40.3084 29.1983 -38.9085 1.81173 TIMING: 1105600 CPU: 3493.44, 0.00314177/step Wall: 3493.44, 0.00314177/step, 3.39869 hours remaining, 233.136719 MB of memory in use. ENERGY: 1105600 4014.4016 20734.0662 14492.5745 264.8632 -203436.6965 2770.6199 0.0000 0.0000 51814.2496 -109345.9215 297.7772 -161160.1711 -108999.7820 299.6394 122.9030 147.1179 761310.9659 0.1529 0.1963 PRESSURE: 1105800 -404.621 56.3496 292.118 56.3497 -71.0879 -52.5234 292.118 -52.5225 238.384 GPRESSURE: 1105800 -259.786 168.397 194.19 14.8864 -30.7397 -169.243 361.503 -31.1656 149.568 PRESSAVG: 1105800 -46.9306 -8.21086 45.2727 -8.21077 14.6451 10.2246 45.2728 10.2246 8.69794 GPRESSAVG: 1105800 -45.2562 -9.10905 45.048 -7.5081 13.9119 10.0325 46.4041 9.14807 8.12929 TIMING: 1105800 CPU: 3494.07, 0.00315398/step Wall: 3494.07, 0.00315398/step, 3.41174 hours remaining, 233.136719 MB of memory in use. ENERGY: 1105800 3980.1483 20547.4696 14559.6643 243.4735 -203393.7461 2589.7525 0.0000 0.0000 52040.2935 -109432.9443 299.0763 -161473.2379 -109067.0224 299.5012 -79.1083 -46.9859 762426.7663 -7.8625 -7.7383 PRESSURE: 1106000 -248.206 -39.1874 -80.6055 -39.1871 -92.2159 58.5834 -80.6056 58.5834 252.142 GPRESSURE: 1106000 -199.911 -127.634 -103.646 -94.6424 -74.0125 150.456 -106.642 -73.8686 260.025 PRESSAVG: 1106000 25.865 32.5269 23.3854 32.5269 -26.2769 -11.8045 23.3853 -11.8045 1.20367 GPRESSAVG: 1106000 24.101 29.9808 24.5761 33.9483 -25.5511 -11.6562 21.4847 -12.7534 1.97506 TIMING: 1106000 CPU: 3494.7, 0.00315316/step Wall: 3494.7, 0.00315316/step, 3.41067 hours remaining, 233.136719 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: 1106000 4031.6580 20720.7038 14457.6651 247.0325 -203336.8279 2610.5441 0.0000 0.0000 51960.0927 -109309.1317 298.6154 -161269.2244 -108947.4184 299.0709 -29.4266 -4.6330 762495.0042 0.2639 0.1750 PRESSURE: 1106200 -188.939 47.9624 -44.1058 47.9629 46.5789 58.215 -44.1059 58.2161 -476.819 GPRESSURE: 1106200 -40.0551 -16.919 -61.4861 105.174 -6.26915 -61.9481 28.9538 -22.5179 -506.743 PRESSAVG: 1106200 4.95662 38.7194 -17.2058 38.7194 -10.6517 3.65234 -17.2058 3.65237 -26.7945 GPRESSAVG: 1106200 5.72661 39.0747 -18.0059 39.5895 -10.6386 4.74949 -14.7644 4.69011 -27.7082 TIMING: 1106200 CPU: 3495.33, 0.00314974/step Wall: 3495.33, 0.00314974/step, 3.4068 hours remaining, 233.136719 MB of memory in use. ENERGY: 1106200 3998.9333 20531.0709 14439.7115 235.5649 -203319.5821 2463.2647 0.0000 0.0000 52221.8496 -109429.1872 300.1197 -161651.0368 -109056.1015 299.2633 -206.3931 -184.3558 760868.3545 -10.8299 -10.8734 PRESSURE: 1106400 -545.488 248.173 -32.4545 248.173 -70.0883 95.2894 -32.4548 95.2887 -308.904 GPRESSURE: 1106400 -456.576 124.225 22.1035 193.436 -126.524 52.8455 -68.3242 4.26866 -247.144 PRESSAVG: 1106400 12.0735 33.6514 30.8906 33.6514 43.3269 -7.00818 30.8906 -7.00825 -6.60239 GPRESSAVG: 1106400 13.4075 35.5971 33.7812 30.1926 41.3861 -6.91739 27.3449 -8.34917 -5.98026 TIMING: 1106400 CPU: 3495.96, 0.00315998/step Wall: 3495.96, 0.00315998/step, 3.41769 hours remaining, 233.136719 MB of memory in use. ENERGY: 1106400 4049.1085 20426.8701 14408.0349 221.2085 -203254.5522 2355.2700 0.0000 0.0000 52298.8966 -109495.1636 300.5625 -161794.0602 -109124.5042 299.4097 -308.1601 -276.7479 761568.1185 16.2660 16.2711 PRESSURE: 1106600 380.374 97.6203 -301.87 97.6204 455.206 -102.544 -301.87 -102.544 405.178 GPRESSURE: 1106600 449.482 168.413 -218.968 151.706 413.22 -68.1204 -188.884 -81.6789 456.687 PRESSAVG: 1106600 15.7076 -9.569 31.7666 -9.56898 25.771 39.332 31.7665 39.3318 -0.762522 GPRESSAVG: 1106600 14.7764 -10.1774 29.5002 -9.92737 26.529 39.8408 34.6636 38.9595 -0.681983 TIMING: 1106600 CPU: 3496.6, 0.00315601/step Wall: 3496.6, 0.00315601/step, 3.41322 hours remaining, 233.136719 MB of memory in use. ENERGY: 1106600 3866.6765 20525.0527 14500.5814 240.9419 -203334.6214 2742.0066 0.0000 0.0000 52190.5285 -109268.8337 299.9397 -161459.3622 -108903.4803 299.3134 413.5858 439.7962 760497.5421 13.5720 13.5411 PRESSURE: 1106800 128.755 -8.39986 41.5119 -8.39973 -79.9815 -72.1287 41.5123 -72.1277 -34.9132 GPRESSURE: 1106800 93.7311 10.9342 10.5564 164.134 62.7752 -64.2287 64.2848 -53.8118 -50.0736 PRESSAVG: 1106800 12.9878 28.1877 51.8679 28.1877 4.22368 0.859754 51.8679 0.859676 -7.58414 GPRESSAVG: 1106800 13.9648 27.011 53.7644 31.7593 4.93862 -0.769961 51.1793 2.1815 -9.38281 TIMING: 1106800 CPU: 3497.23, 0.00315883/step Wall: 3497.23, 0.00315883/step, 3.4161 hours remaining, 233.136719 MB of memory in use. ENERGY: 1106800 3998.0997 20456.3665 14574.0709 231.8251 -203316.1134 2802.3719 0.0000 0.0000 51965.4125 -109287.9668 298.6459 -161253.3793 -108930.9056 299.3079 4.6200 35.4775 761532.5375 3.2091 3.1735 PRESSURE: 1107000 -249.544 224.988 -95.9852 224.988 -341.821 -186.309 -95.9855 -186.31 -315.083 GPRESSURE: 1107000 -332.668 111.603 -112.289 104.619 -268.189 -232.166 -71.8626 -136.98 -225.524 PRESSAVG: 1107000 -4.46217 -1.45773 14.9299 -1.45775 -12.9135 -51.686 14.9299 -51.686 -22.4359 GPRESSAVG: 1107000 -6.90913 -1.24119 12.8932 -5.12556 -12.3087 -49.7596 15.9221 -53.437 -20.727 TIMING: 1107000 CPU: 3497.86, 0.00314296/step Wall: 3497.86, 0.00314296/step, 3.39877 hours remaining, 233.136719 MB of memory in use. ENERGY: 1107000 4017.7159 20493.1938 14479.4220 234.5875 -202832.4889 2508.6726 0.0000 0.0000 51906.2837 -109192.6133 298.3061 -161098.8970 -108829.8399 299.4552 -302.1493 -275.4600 763094.4122 -13.2705 -13.3149 PRESSURE: 1107200 346.728 125.05 164.859 125.049 -62.762 87.5049 164.859 87.5047 -143.494 GPRESSURE: 1107200 388.047 143.982 145.379 173.207 -0.304188 80.1874 130.691 82.1565 -180.713 PRESSAVG: 1107200 10.7385 27.1668 -7.45866 27.1668 40.6055 -60.5475 -7.45863 -60.5475 0.991471 GPRESSAVG: 1107200 11.3318 26.8541 -7.42602 29.4922 40.4014 -61.5953 -8.97987 -60.3104 0.46654 TIMING: 1107200 CPU: 3498.49, 0.00314422/step Wall: 3498.49, 0.00314422/step, 3.39995 hours remaining, 233.136719 MB of memory in use. ENERGY: 1107200 3989.8672 20411.2431 14480.7025 243.6587 -203807.5147 2852.4587 0.0000 0.0000 52462.0174 -109367.5670 301.4999 -161829.5844 -109009.6383 299.5379 46.8241 69.0100 760112.1690 17.4452 17.3999 PRESSURE: 1107400 290.674 46.6016 -56.4284 46.6019 132.455 -0.919529 -56.4283 -0.920263 522.336 GPRESSURE: 1107400 250.19 86.073 28.8277 24.853 176.917 87.1658 -68.6291 -75.8874 587.191 PRESSAVG: 1107400 -22.7092 0.312449 55.7891 0.312427 33.795 -20.1541 55.7891 -20.154 21.8932 GPRESSAVG: 1107400 -21.0336 -0.719788 56.1547 0.36972 31.787 -19.7199 56.7014 -19.5367 22.1228 TIMING: 1107400 CPU: 3499.12, 0.00315956/step Wall: 3499.12, 0.00315956/step, 3.41636 hours remaining, 233.136719 MB of memory in use. ENERGY: 1107400 3907.5599 20503.0867 14435.0812 251.5524 -203337.0986 2700.6807 0.0000 0.0000 51945.5449 -109593.5927 298.5318 -161539.1376 -109235.9109 298.9963 315.1550 338.0994 761043.1300 10.9930 10.9587 PRESSURE: 1107600 -232.499 -216.07 30.8069 -216.069 75.838 11.5069 30.8078 11.5078 -71.5792 GPRESSURE: 1107600 -140.691 -120.925 29.3482 -340.819 86.8278 -6.78799 9.56192 -34.8633 -94.3036 PRESSAVG: 1107600 14.4549 -25.3739 -0.872512 -25.3739 -14.196 -42.4767 -0.872539 -42.4766 9.70712 GPRESSAVG: 1107600 13.9905 -22.7175 -0.96523 -26.1871 -13.9366 -42.6623 -0.718792 -42.675 9.7801 TIMING: 1107600 CPU: 3499.75, 0.0031563/step Wall: 3499.75, 0.0031563/step, 3.41266 hours remaining, 233.136719 MB of memory in use. ENERGY: 1107600 3991.0448 20602.4071 14412.0895 243.8164 -203362.6057 2718.6848 0.0000 0.0000 51984.5106 -109410.0525 298.7557 -161394.5631 -109054.4603 299.0066 -76.0800 -49.3889 761525.6699 3.3220 3.2780 PRESSURE: 1107800 259.015 -31.5517 41.3881 -31.5513 -114.563 -7.69217 41.3883 -7.69281 170.23 GPRESSURE: 1107800 274.72 -27.5412 134.036 -24.6544 -65.6043 -73.4841 -80.2149 198.832 205.208 PRESSAVG: 1107800 24.6207 -31.9015 9.13903 -31.9015 -46.3412 -19.4495 9.139 -19.4495 -7.1115 GPRESSAVG: 1107800 24.3195 -34.2709 9.49887 -31.3282 -46.2006 -20.6782 9.84927 -19.2354 -6.56118 TIMING: 1107800 CPU: 3500.38, 0.00315773/step Wall: 3500.38, 0.00315773/step, 3.41403 hours remaining, 233.136719 MB of memory in use. ENERGY: 1107800 3878.8501 20453.4710 14425.0141 242.4662 -203493.7635 2781.0102 0.0000 0.0000 52214.0565 -109498.8954 300.0749 -161712.9519 -109127.6186 298.8857 104.8939 138.1081 760296.9649 -9.6107 -9.4808 PRESSURE: 1108000 -123.901 135.331 -14.4155 135.33 -342.587 108.037 -14.4154 108.037 -776.186 GPRESSURE: 1108000 -164.488 98.4569 3.22926 223.197 -304.899 139.903 -9.18919 46.2293 -695.286 PRESSAVG: 1108000 59.4037 -2.71504 6.98607 -2.71504 -22.6902 15.4284 6.98605 15.4284 -25.4023 GPRESSAVG: 1108000 59.2947 -0.492393 6.18048 -5.31162 -22.1564 17.0696 7.30333 17.2588 -26.3504 TIMING: 1108000 CPU: 3501.01, 0.00317133/step Wall: 3501.01, 0.00317133/step, 3.42856 hours remaining, 233.136719 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: 1108000 4018.1820 20478.1715 14456.4760 248.2069 -203005.5336 2370.9908 0.0000 0.0000 52000.5258 -109432.9807 298.8477 -161433.5065 -109080.6676 298.9119 -414.2247 -388.2243 762590.9025 3.7704 3.5960 PRESSURE: 1108200 93.0169 -203.854 31.1732 -203.853 -205.562 248.957 31.1724 248.958 -21.3079 GPRESSURE: 1108200 129.27 -59.2529 -9.95427 -157.089 -225.558 151.405 70.988 162.242 36.6189 PRESSAVG: 1108200 35.5379 -27.5165 -0.953374 -27.5166 -14.8606 32.521 -0.953336 32.521 7.84199 GPRESSAVG: 1108200 36.4835 -28.3697 0.263472 -22.8314 -17.3296 32.0048 -0.614618 31.0378 9.25854 TIMING: 1108200 CPU: 3501.65, 0.00317121/step Wall: 3501.65, 0.00317121/step, 3.42825 hours remaining, 233.136719 MB of memory in use. ENERGY: 1108200 3960.5760 20475.2322 14466.2764 242.8301 -203098.5970 2407.7897 0.0000 0.0000 51940.8744 -109605.0183 298.5049 -161545.8927 -109243.9497 298.5426 -44.6176 -19.8897 761908.1369 9.5064 9.4708 LDB: ============= START OF LOAD BALANCING ============== 3514.18 LDB: ============== END OF LOAD BALANCING =============== 3514.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3514.18 LDB: ============= START OF LOAD BALANCING ============== 3514.5 LDB: Largest compute 7042 load 0.033096 is 16.9% of average load 0.195408 LDB: Average compute 0.004384 is 2.2% of average load 0.195408 LDB: TIME 3514.5 LOAD: AVG 0.195408 MAX 0.214494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.516 MB LDB: TIME 3514.5 LOAD: AVG 0.195408 MAX 0.214494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: TIME 3514.5 LOAD: AVG 0.195408 MAX 0.214494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.516 MB LDB: ============== END OF LOAD BALANCING =============== 3514.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3514.51 PRESSURE: 1108400 -415.844 -94.9804 -62.9516 -94.981 28.3366 -58.426 -62.952 -58.4248 -280.611 GPRESSURE: 1108400 -412.666 -90.6812 -88.87 -165.078 54.5457 -72.7028 -72.3184 -131.401 -203.753 PRESSAVG: 1108400 4.44969 -44.4137 -22.8456 -44.4137 -7.04329 55.109 -22.8456 55.109 5.35341 GPRESSAVG: 1108400 2.81211 -43.7776 -24.4388 -46.0781 -4.56146 54.7627 -22.669 54.3248 4.63599 TIMING: 1108400 CPU: 3502.29, 0.00321885/step Wall: 3502.29, 0.00321885/step, 3.47957 hours remaining, 233.390625 MB of memory in use. ENERGY: 1108400 3943.2929 20357.3998 14455.9252 230.4721 -202517.3612 2146.7636 0.0000 0.0000 51963.4974 -109420.0103 298.6349 -161383.5077 -109049.3006 298.9504 -222.7062 -187.2910 762046.8040 0.9199 0.9622 PRESSURE: 1108600 35.454 -7.98908 -98.021 -7.98917 104.808 258.434 -98.0215 258.434 266.45 GPRESSURE: 1108600 142.352 -50.1913 -73.3367 1.58025 73.6506 312.555 -140.45 251.482 284.143 PRESSAVG: 1108600 -14.4176 -54.2674 -11.3219 -54.2674 -77.6221 38.9089 -11.3219 38.909 -31.7914 GPRESSAVG: 1108600 -13.8161 -55.4328 -8.09866 -55.46 -77.631 38.9228 -12.2178 41.9903 -32.5023 TIMING: 1108600 CPU: 3502.92, 0.00314873/step Wall: 3502.92, 0.00314873/step, 3.40361 hours remaining, 233.593750 MB of memory in use. ENERGY: 1108600 3977.0802 20583.9478 14430.1894 246.1364 -203153.1388 2629.1408 0.0000 0.0000 52040.4820 -109246.1623 299.0774 -161286.6442 -108885.5047 298.8534 135.5705 166.7153 761980.6707 -41.2770 -41.3165 PRESSURE: 1108800 -43.4236 46.019 -150.781 46.0187 -128.13 -174.838 -150.781 -174.838 -302.606 GPRESSURE: 1108800 52.5187 55.081 -124.842 60.2067 -111.377 -159.204 -53.4349 -225.72 -308.177 PRESSAVG: 1108800 53.9525 -27.3702 -2.3378 -27.3702 -33.2085 -1.31413 -2.33777 -1.3141 -10.2804 GPRESSAVG: 1108800 54.096 -28.9006 -4.49385 -25.9014 -34.7179 -0.728983 -1.0529 -3.10677 -8.38936 TIMING: 1108800 CPU: 3503.56, 0.00317511/step Wall: 3503.56, 0.00317511/step, 3.43194 hours remaining, 233.593750 MB of memory in use. ENERGY: 1108800 3957.1744 20631.0646 14405.9690 274.1823 -203448.1634 2746.3071 0.0000 0.0000 52169.4059 -109264.0602 299.8183 -161433.4661 -108908.6711 299.5925 -158.0535 -122.3451 760765.4975 3.4878 3.6629 PRESSURE: 1109000 -245.252 134.856 -35.4443 134.857 -5.69048 -15.5019 -35.4448 -15.5024 -202.767 GPRESSURE: 1109000 -209.624 162.065 5.96295 66.1034 22.33 -15.9699 -74.7833 138.621 -187.453 PRESSAVG: 1109000 -7.61079 -11.8961 30.1558 -11.8961 18.57 12.9974 30.1557 12.9974 -4.8284 GPRESSAVG: 1109000 -7.1488 -8.11347 30.494 -12.7941 19.5373 11.6726 29.3709 14.7578 -6.42396 TIMING: 1109000 CPU: 3504.19, 0.00317716/step Wall: 3504.19, 0.00317716/step, 3.43398 hours remaining, 233.593750 MB of memory in use. ENERGY: 1109000 3987.7321 20351.5423 14557.2764 249.5383 -203135.3720 2484.9896 0.0000 0.0000 52286.0168 -109218.2765 300.4885 -161504.2933 -108848.8010 299.3091 -151.2363 -124.9157 760913.3139 2.0436 1.9882 PRESSURE: 1109200 107.295 122.793 137.307 122.794 -47.1025 111.232 137.307 111.231 -54.1485 GPRESSURE: 1109200 148.98 89.6803 37.339 48.7502 -20.7147 37.5574 76.0727 46.0861 -58.834 PRESSAVG: 1109200 30.9621 26.1469 18.5452 26.1469 -25.4692 20.0449 18.5452 20.0449 0.848019 GPRESSAVG: 1109200 30.3044 23.9065 19.4809 25.3184 -25.3638 18.9497 17.4373 19.4392 1.07519 TIMING: 1109200 CPU: 3504.82, 0.00316081/step Wall: 3504.82, 0.00316081/step, 3.41613 hours remaining, 233.593750 MB of memory in use. ENERGY: 1109200 3941.2773 20399.1026 14460.6724 251.2377 -203084.3483 2527.6859 0.0000 0.0000 52114.9452 -109389.4272 299.5053 -161504.3723 -109025.6668 299.3121 2.0148 23.1437 760770.1260 2.1136 2.0053 PRESSURE: 1109400 139.018 -125.396 3.62125 -125.395 -16.8745 -277.788 3.6214 -277.789 97.3924 GPRESSURE: 1109400 250.697 5.56388 -61.3736 -170.738 -13.7301 -338.669 46.1954 -205.518 45.338 PRESSAVG: 1109400 -83.9574 -27.8726 -23.9207 -27.8726 57.9063 13.856 -23.9207 13.856 12.37 GPRESSAVG: 1109400 -84.0958 -25.99 -25.1187 -27.2841 57.4313 16.2527 -23.5279 14.2393 13.591 TIMING: 1109400 CPU: 3505.46, 0.00317318/step Wall: 3505.46, 0.00317318/step, 3.42932 hours remaining, 233.593750 MB of memory in use. ENERGY: 1109400 3988.0371 20497.2917 14417.8852 238.6721 -203194.1763 2635.7048 0.0000 0.0000 52237.3666 -109179.2188 300.2089 -161416.5854 -108810.4487 299.3703 73.1787 94.1017 761043.0657 -4.5604 -4.3578 PRESSURE: 1109600 -318.824 -16.0026 -6.36067 -16.0035 -11.2973 223.405 -6.36216 223.406 -324.508 GPRESSURE: 1109600 -286.112 -92.6555 52.1702 0.775616 63.0487 262.658 57.8212 292.626 -323.727 PRESSAVG: 1109600 -19.3478 -35.6005 7.0284 -35.6005 54.7625 -3.81093 7.02838 -3.81095 -6.63469 GPRESSAVG: 1109600 -19.8552 -35.6633 8.7182 -34.186 54.7998 -4.2349 6.43353 -4.23728 -6.58935 TIMING: 1109600 CPU: 3506.09, 0.00315921/step Wall: 3506.09, 0.00315921/step, 3.41405 hours remaining, 233.593750 MB of memory in use. ENERGY: 1109600 4063.3010 20385.9340 14449.5298 246.1935 -202777.4605 2429.4833 0.0000 0.0000 51800.5299 -109402.4890 297.6984 -161203.0189 -109035.1467 299.6442 -218.2096 -182.2633 762826.9136 9.5933 9.4517 PRESSURE: 1109800 -70.0236 10.7954 15.5569 10.7949 219.543 182.94 15.5573 182.94 132.133 GPRESSURE: 1109800 -31.6658 -20.0355 -58.4501 39.8097 306.809 188.03 -18.5399 187.871 92.427 PRESSAVG: 1109800 -66.6656 -30.031 -36.2495 -30.031 57.0528 7.1052 -36.2495 7.1052 -9.74242 GPRESSAVG: 1109800 -67.1115 -30.7015 -36.4035 -30.4756 57.5142 7.22503 -35.496 6.9253 -10.0886 TIMING: 1109800 CPU: 3506.72, 0.00314463/step Wall: 3506.72, 0.00314463/step, 3.39813 hours remaining, 233.593750 MB of memory in use. ENERGY: 1109800 3934.7051 20559.3571 14382.8249 249.7343 -203473.9601 2709.5887 0.0000 0.0000 52048.8276 -109588.9224 299.1253 -161637.7500 -109220.4235 299.1047 93.8842 122.5233 761453.6402 -6.4517 -6.5620 PRESSURE: 1110000 191.259 -119.968 -126.961 -119.967 -82.9879 147.02 -126.962 147.021 63.28 GPRESSURE: 1110000 271.008 4.65647 -171.116 -149.271 -10.5173 181.715 -69.6375 65.8988 -11.8719 PRESSAVG: 1110000 -50.8193 -40.9823 -48.7721 -40.9823 80.5967 -11.921 -48.7721 -11.921 6.23177 GPRESSAVG: 1110000 -50.8239 -41.2035 -49.1317 -43.0843 81.1763 -13.1039 -48.2387 -13.0797 5.35893 TIMING: 1110000 CPU: 3507.35, 0.00315045/step Wall: 3507.35, 0.00315045/step, 3.40424 hours remaining, 233.593750 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: 1110000 4002.5254 20384.4562 14452.1902 228.0686 -203275.2853 2579.5417 0.0000 0.0000 52151.3145 -109477.1885 299.7143 -161628.5031 -109116.8214 299.2507 57.1836 82.8730 761486.1512 12.0031 11.9038 PRESSURE: 1110200 105.782 -212.857 -88.6099 -212.857 47.2677 -83.5619 -88.6101 -83.5631 69.5377 GPRESSURE: 1110200 113.022 -165.155 -154.062 -91.5527 26.0977 -93.8967 -149.38 -121.849 131.488 PRESSAVG: 1110200 22.3171 -18.7833 -59.5541 -18.7833 25.8224 16.9145 -59.554 16.9145 -3.91901 GPRESSAVG: 1110200 23.9769 -18.9763 -59.4169 -16.8896 23.1445 17.3132 -60.6747 18.1521 -3.5035 TIMING: 1110200 CPU: 3507.98, 0.00315067/step Wall: 3507.98, 0.00315067/step, 3.4043 hours remaining, 233.593750 MB of memory in use. ENERGY: 1110200 4001.1391 20414.3586 14460.5039 249.9828 -203331.8584 2582.1275 0.0000 0.0000 52091.0637 -109532.6829 299.3681 -161623.7465 -109161.4219 298.3668 74.1957 90.2026 761955.6240 14.7402 14.5393 PRESSURE: 1110400 141.038 114.048 25.3672 114.047 182.104 130.355 25.3654 130.355 -102.711 GPRESSURE: 1110400 261.273 40.2672 19.4703 132.342 172.171 125.141 84.7298 165.815 -121.465 PRESSAVG: 1110400 -37.6312 -31.8666 -6.93421 -31.8665 92.664 4.81529 -6.93413 4.81528 -28.835 GPRESSAVG: 1110400 -39.5881 -31.4114 -6.64334 -31.9376 93.9822 6.62763 -6.69765 4.65367 -28.349 TIMING: 1110400 CPU: 3508.61, 0.0031713/step Wall: 3508.61, 0.0031713/step, 3.42641 hours remaining, 233.593750 MB of memory in use. ENERGY: 1110400 4048.6078 20450.5274 14445.8703 261.1165 -203231.1724 2674.4099 0.0000 0.0000 52044.5725 -109306.0679 299.1009 -161350.6404 -108937.7513 298.7273 73.4768 103.9932 761347.5260 8.7326 8.6817 PRESSURE: 1110600 221.614 -89.7095 -136.043 -89.7109 214.005 2.79091 -136.043 2.79084 242.055 GPRESSURE: 1110600 227.552 -127.823 -95.8654 -86.0849 277.622 -29.2724 -152.818 -13.897 264.236 PRESSAVG: 1110600 -17.3794 -20.6287 -30.4583 -20.6287 39.8576 -31.2532 -30.4583 -31.2532 18.9852 GPRESSAVG: 1110600 -16.5321 -21.4515 -29.4919 -20.8477 39.9824 -30.2809 -29.2513 -32.8032 17.8722 TIMING: 1110600 CPU: 3509.25, 0.00315787/step Wall: 3509.25, 0.00315787/step, 3.41172 hours remaining, 233.593750 MB of memory in use. ENERGY: 1110600 3904.3137 20429.3039 14444.2728 224.9753 -203392.7648 2699.4668 0.0000 0.0000 52246.4290 -109444.0034 300.2609 -161690.4324 -109080.3234 299.2077 225.8915 256.4702 762059.5605 13.8211 13.7742 PRESSURE: 1110800 -149.116 71.7565 -70.2196 71.7566 -292.05 -187.623 -70.2203 -187.623 48.4317 GPRESSURE: 1110800 -124.414 147.079 24.5668 24.3056 -252.546 -155.2 -79.3572 -149.054 37.8201 PRESSAVG: 1110800 27.8922 1.67958 42.3344 1.6796 -10.9489 -19.0815 42.3344 -19.0815 4.08045 GPRESSAVG: 1110800 28.1251 3.54433 41.6012 0.174628 -12.3152 -19.7103 41.8754 -18.6549 5.23385 TIMING: 1110800 CPU: 3509.88, 0.00315243/step Wall: 3509.88, 0.00315243/step, 3.40567 hours remaining, 233.593750 MB of memory in use. ENERGY: 1110800 3993.3806 20550.9520 14443.1810 246.5070 -203459.2150 2695.2211 0.0000 0.0000 52206.8033 -109323.1700 300.0332 -161529.9733 -108957.0850 299.0103 -130.9114 -113.0465 761623.7956 7.0079 7.0146 PRESSURE: 1111000 9.75147 126.531 -59.2961 126.531 -167.645 86.6457 -59.2963 86.6463 125.401 GPRESSURE: 1111000 31.1769 118.456 0.0719874 113.292 -22.6986 126.943 -144.386 161.991 41.7373 PRESSAVG: 1111000 -25.3277 1.33268 -16.858 1.33268 39.8683 -9.15931 -16.8579 -9.15934 0.393694 GPRESSAVG: 1111000 -24.8091 2.73993 -16.6492 2.90316 40.8663 -11.2943 -14.3512 -6.48291 -0.583033 TIMING: 1111000 CPU: 3510.51, 0.00315672/step Wall: 3510.51, 0.00315673/step, 3.41014 hours remaining, 233.593750 MB of memory in use. ENERGY: 1111000 4002.1373 20458.3020 14451.7268 240.8473 -202905.5189 2508.4905 0.0000 0.0000 52077.3554 -109166.6595 299.2893 -161244.0149 -108803.3496 299.8007 -10.8309 16.7385 761089.0240 4.9781 5.1581 PRESSURE: 1111200 -149.889 -272.943 211.583 -272.943 -276.15 129.223 211.583 129.222 41.9398 GPRESSURE: 1111200 -16.2065 -310.192 231.71 -238.457 -262.736 208.254 275.152 185.404 -4.89241 PRESSAVG: 1111200 -89.0626 -40.9893 4.33948 -40.9893 59.3999 -53.1479 4.33943 -53.1479 1.07339 GPRESSAVG: 1111200 -88.7366 -42.3112 3.77747 -41.3226 58.1936 -50.9896 0.694457 -55.8132 2.32195 TIMING: 1111200 CPU: 3511.14, 0.00318246/step Wall: 3511.14, 0.00318246/step, 3.43776 hours remaining, 233.593750 MB of memory in use. ENERGY: 1111200 3954.7465 20459.0230 14363.8340 274.9190 -202633.4073 2394.4439 0.0000 0.0000 52323.3005 -108863.1404 300.7027 -161186.4409 -108492.7567 299.7238 -128.0331 -94.6118 762838.7247 -9.5298 -9.4070 PRESSURE: 1111400 161.135 -126.901 84.0983 -126.901 92.9239 34.4544 84.0983 34.4532 -9.45234 GPRESSURE: 1111400 151.062 -126.996 92.4316 -4.66152 103.462 6.10372 32.5069 -14.5333 75.659 PRESSAVG: 1111400 -37.4787 -40.1974 51.819 -40.1975 25.6412 -30.2875 51.8189 -30.2876 5.20593 GPRESSAVG: 1111400 -37.3896 -40.74 51.8097 -42.2532 25.7484 -32.7036 53.3168 -28.6355 4.78084 TIMING: 1111400 CPU: 3511.78, 0.00315956/step Wall: 3511.78, 0.00315956/step, 3.41285 hours remaining, 233.593750 MB of memory in use. ENERGY: 1111400 3995.5230 20583.1350 14441.4550 230.3473 -203066.3916 2693.0607 0.0000 0.0000 52391.3258 -108731.5448 301.0937 -161122.8706 -108369.1024 300.6428 81.5354 110.0610 760672.8028 -2.2105 -2.2868 PRESSURE: 1111600 -112.702 -187.99 124.147 -187.989 -193.339 -320.612 124.147 -320.614 -42.8453 GPRESSURE: 1111600 -111.19 -32.0341 115.095 -159.995 -105.686 -314.936 155.738 -367.71 -41.973 PRESSAVG: 1111600 -49.9324 -7.5192 39.4339 -7.51928 47.5649 -64.4595 39.4339 -64.4596 15.472 GPRESSAVG: 1111600 -50.9731 -8.81157 38.9684 -4.36039 49.985 -62.7756 39.2017 -64.8912 14.3718 TIMING: 1111600 CPU: 3512.41, 0.00315033/step Wall: 3512.41, 0.00315033/step, 3.4027 hours remaining, 233.593750 MB of memory in use. ENERGY: 1111600 4036.3441 20632.3914 14413.9605 262.4412 -202852.1029 2625.2007 0.0000 0.0000 52239.1973 -108642.5677 300.2194 -160881.7650 -108289.5697 300.5189 -116.2952 -86.2830 763603.1519 4.3682 4.4612 PRESSURE: 1111800 -355.52 -67.1035 38.558 -67.1047 -178.392 -279.013 38.5571 -279.014 189.37 GPRESSURE: 1111800 -317.951 -115.81 66.5011 26.6892 -128.645 -301.215 79.764 -238.937 179.529 PRESSAVG: 1111800 11.4014 -42.8257 22.286 -42.8257 -33.3901 7.59344 22.2859 7.59351 -3.23241 GPRESSAVG: 1111800 11.7395 -40.6455 20.5385 -43.7304 -34.3264 7.94346 20.855 7.22449 -2.16939 TIMING: 1111800 CPU: 3513.03, 0.00314235/step Wall: 3513.03, 0.00314235/step, 3.39391 hours remaining, 233.593750 MB of memory in use. ENERGY: 1111800 3996.2529 20607.4039 14436.7870 233.2433 -203183.3260 2494.6128 0.0000 0.0000 52514.3531 -108900.6730 301.8007 -161415.0261 -108533.4190 300.2995 -114.8472 -89.0225 761606.4900 -8.4070 -8.2521 PRESSURE: 1112000 295.477 -224.424 265.813 -224.423 -235.13 -244.143 265.814 -244.144 17.1453 GPRESSURE: 1112000 262.399 -176.461 254.089 -160.152 -118.136 -284.6 246.093 -291.819 27.4366 PRESSAVG: 1112000 -43.0034 -37.8524 18.0181 -37.8524 26.5139 -20.9539 18.0181 -20.954 -3.77502 GPRESSAVG: 1112000 -43.1152 -39.1408 20.1204 -37.0788 26.461 -22.1773 17.3301 -20.5471 -3.68593 TIMING: 1112000 CPU: 3513.67, 0.00316469/step Wall: 3513.67, 0.00316469/step, 3.41786 hours remaining, 233.593750 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: 1112000 3905.5299 20610.2621 14370.5358 246.0074 -203015.3897 2381.4106 0.0000 0.0000 52462.1286 -109039.5152 301.5006 -161501.6438 -108667.5131 299.8435 25.8306 57.2334 762481.9129 -6.7548 -6.7800 PRESSURE: 1112200 305.519 -29.5979 189.778 -29.5975 59.0273 180.517 189.778 180.517 -46.6591 GPRESSURE: 1112200 347.776 -35.4629 283.539 -40.9883 135.048 169.12 91.4108 160.785 -103.236 PRESSAVG: 1112200 9.77588 -3.55994 17.4196 -3.55992 5.19034 0.914242 17.4197 0.914251 4.34993 GPRESSAVG: 1112200 9.58514 -3.00485 16.912 -3.63235 4.99786 1.07076 19.0984 0.196641 4.65099 TIMING: 1112200 CPU: 3514.31, 0.00319078/step Wall: 3514.31, 0.00319078/step, 3.44586 hours remaining, 233.593750 MB of memory in use. ENERGY: 1112200 3940.7216 20623.3712 14417.8359 243.5988 -202950.0254 2419.7084 0.0000 0.0000 52201.7423 -109103.0471 300.0041 -161304.7894 -108744.8835 299.6298 105.9623 126.5291 761543.1635 6.4387 6.4113 LDB: ============= START OF LOAD BALANCING ============== 3526.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3526.84 LDB: =============== DONE WITH MIGRATION ================ 3526.84 LDB: ============= START OF LOAD BALANCING ============== 3527.16 LDB: Largest compute 7042 load 0.035788 is 18.3% of average load 0.195263 LDB: Average compute 0.004394 is 2.3% of average load 0.195263 LDB: TIME 3527.16 LOAD: AVG 0.195263 MAX 0.216818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 3527.16 LOAD: AVG 0.195263 MAX 0.216818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 3527.16 LOAD: AVG 0.195263 MAX 0.216818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 3527.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3527.17 PRESSURE: 1112400 102.146 -233.464 -111.48 -233.464 62.8999 -74.4619 -111.481 -74.4616 188.922 GPRESSURE: 1112400 50.8324 -93.0981 -106.409 -161.057 104.4 -28.763 -75.036 -187.327 275.948 PRESSAVG: 1112400 2.54935 -60.8833 1.08429 -60.8833 36.8782 -21.2214 1.0843 -21.2215 -5.39678 GPRESSAVG: 1112400 1.18664 -60.8583 1.69403 -60.9008 38.0389 -19.1517 -0.528698 -22.3233 -5.1811 TIMING: 1112400 CPU: 3514.95, 0.00323129/step Wall: 3514.95, 0.00323129/step, 3.48943 hours remaining, 234.160156 MB of memory in use. ENERGY: 1112400 4078.8891 20542.4433 14420.4006 235.4716 -203514.2913 2747.0099 0.0000 0.0000 52143.0066 -109347.0702 299.6666 -161490.0768 -108984.4104 299.9492 117.9895 143.7268 762191.6750 11.3436 11.3481 PRESSURE: 1112600 -172.036 -103.867 -137.291 -103.867 -444.179 -84.8577 -137.291 -84.8578 -333.309 GPRESSURE: 1112600 -90.1062 -127.42 -96.8321 -56.0085 -378.372 -3.97795 -17.9472 -281.171 -385.72 PRESSAVG: 1112600 -65.9781 -49.0693 -11.6228 -49.0693 13.0646 -23.972 -11.6227 -23.9719 -16.2691 GPRESSAVG: 1112600 -63.7619 -50.5585 -13.383 -49.726 12.0295 -25.5936 -8.05887 -22.6011 -17.6802 TIMING: 1112600 CPU: 3515.58, 0.00315096/step Wall: 3515.58, 0.00315096/step, 3.40251 hours remaining, 234.363281 MB of memory in use. ENERGY: 1112600 3994.9060 20674.7663 14421.6751 251.7924 -202712.0976 2138.5383 0.0000 0.0000 51749.1022 -109481.3172 297.4028 -161230.4194 -109128.8186 299.4247 -316.5080 -284.7325 763072.9423 -23.0609 -23.1376 PRESSURE: 1112800 -195.606 -219.47 -37.6559 -219.47 -158.792 -151.937 -37.6554 -151.937 187.926 GPRESSURE: 1112800 -167.246 -221.241 -1.99732 -243.587 -45.348 -109.124 -123.592 -119.875 131.534 PRESSAVG: 1112800 -20.987 -66.6284 -10.316 -66.6284 -12.7741 -19.7413 -10.316 -19.7414 13.9121 GPRESSAVG: 1112800 -21.686 -66.8321 -9.24781 -66.1345 -13.7348 -19.6747 -12.1952 -20.1894 15.0625 TIMING: 1112800 CPU: 3516.22, 0.00316842/step Wall: 3516.22, 0.00316842/step, 3.42119 hours remaining, 234.363281 MB of memory in use. ENERGY: 1112800 4040.8853 20291.9922 14434.5402 243.9333 -202680.7040 2324.4589 0.0000 0.0000 51748.8309 -109596.0632 297.4012 -161344.8941 -109236.6823 298.9422 -55.4907 -27.0200 760736.6092 -6.6163 -6.7861 PRESSURE: 1113000 59.2154 -81.8344 19.2082 -81.8346 -125.783 19.3351 19.2085 19.3347 169.929 GPRESSURE: 1113000 37.0993 -193.001 -38.4429 -51.7454 54.8686 2.05838 125.426 50.6025 105.419 PRESSAVG: 1113000 12.2849 -48.8189 13.9685 -48.8189 10.391 -26.1236 13.9685 -26.1236 -18.1953 GPRESSAVG: 1113000 11.7745 -48.9196 14.1433 -49.9256 10.3099 -25.3117 13.2647 -26.6387 -17.4203 TIMING: 1113000 CPU: 3516.85, 0.00318802/step Wall: 3516.85, 0.00318802/step, 3.44217 hours remaining, 234.363281 MB of memory in use. ENERGY: 1113000 3980.1534 20458.3289 14349.8966 241.5278 -203559.3220 2853.4293 0.0000 0.0000 52021.5819 -109654.4041 298.9687 -161675.9859 -109296.9683 298.4037 34.4535 65.7957 762177.3691 1.4935 1.5547 PRESSURE: 1113200 -14.1523 -135.016 -83.8845 -135.016 -373.436 98.1662 -83.8846 98.1657 -644.114 GPRESSURE: 1113200 41.3035 76.0228 -149.559 -195.373 -380.702 87.962 3.39531 -23.1536 -603.723 PRESSAVG: 1113200 -40.2051 -30.6827 -42.6258 -30.6828 27.3503 -63.256 -42.6259 -63.256 4.06095 GPRESSAVG: 1113200 -38.8825 -29.3526 -42.5024 -30.6786 27.4391 -63.9777 -44.0135 -62.3464 3.35158 TIMING: 1113200 CPU: 3517.49, 0.00317753/step Wall: 3517.49, 0.00317753/step, 3.43068 hours remaining, 234.363281 MB of memory in use. ENERGY: 1113200 3989.0980 20260.6903 14418.3839 266.9140 -202981.9696 2196.4298 0.0000 0.0000 52201.0246 -109649.4289 300.0000 -161850.4535 -109290.7363 298.8544 -343.9008 -314.3740 760704.1810 -2.9313 -2.6973 PRESSURE: 1113400 256.063 87.6999 240.416 87.6996 403.492 -204.463 240.416 -204.464 -159.263 GPRESSURE: 1113400 243.848 -38.2796 130.993 157.225 447.285 -124.703 240.23 -89.9478 -111.844 PRESSAVG: 1113400 14.8194 -12.9006 -56.0148 -12.9006 7.7059 -26.2404 -56.0148 -26.2404 -6.51581 GPRESSAVG: 1113400 14.2052 -16.1157 -56.5435 -11.1203 8.72855 -23.7214 -53.8995 -26.6269 -6.62262 TIMING: 1113400 CPU: 3518.12, 0.00316213/step Wall: 3518.12, 0.00316213/step, 3.41387 hours remaining, 234.363281 MB of memory in use. ENERGY: 1113400 3974.8091 20515.1921 14418.5439 240.0265 -203351.0161 2642.7199 0.0000 0.0000 51911.6648 -109648.0597 298.3371 -161559.7245 -109284.2904 298.6405 166.7641 193.0964 760284.7185 5.3365 5.4371 PRESSURE: 1113600 280.449 -113.963 41.4225 -113.963 84.2889 45.0144 41.4234 45.0132 205.59 GPRESSURE: 1113600 298.073 -31.5748 7.27694 -97.7321 98.6195 -88.5016 -17.4387 42.3916 242.763 PRESSAVG: 1113600 0.841461 10.0534 -12.652 10.0534 -7.11193 -32.4575 -12.652 -32.4575 13.2713 GPRESSAVG: 1113600 1.17136 12.0619 -12.8522 8.28939 -8.21496 -35.8259 -12.6035 -31.8078 13.549 TIMING: 1113600 CPU: 3518.76, 0.00316829/step Wall: 3518.76, 0.00316829/step, 3.42035 hours remaining, 234.363281 MB of memory in use. ENERGY: 1113600 3991.6863 20318.0838 14456.4147 231.6707 -203240.0090 2574.6837 0.0000 0.0000 51905.1063 -109762.3635 298.2994 -161667.4698 -109405.9056 298.3822 190.1095 213.1520 760403.1821 2.3336 2.1685 PRESSURE: 1113800 -217.533 -112.594 24.1249 -112.594 -212.396 -44.2792 24.1247 -44.2794 26.4796 GPRESSURE: 1113800 -200.358 -21.8796 35.5005 -76.9095 -117.448 -85.2649 -73.2232 -12.8573 -12.1581 PRESSAVG: 1113800 22.3871 -41.0775 -41.0652 -41.0774 -6.7264 -41.7537 -41.0652 -41.7536 13.1236 GPRESSAVG: 1113800 21.3956 -40.923 -40.2017 -41.324 -5.45044 -40.8688 -41.1382 -42.1628 12.9512 TIMING: 1113800 CPU: 3519.39, 0.00316767/step Wall: 3519.39, 0.00316767/step, 3.4195 hours remaining, 234.363281 MB of memory in use. ENERGY: 1113800 3983.9200 20506.4769 14501.7931 233.0941 -203528.7438 2479.7531 0.0000 0.0000 52240.3555 -109583.3510 300.2260 -161823.7065 -109214.3657 298.7201 -134.4832 -109.9880 758987.9933 9.5948 9.6321 PRESSURE: 1114000 -146.575 -175.53 -16.7 -175.531 125.714 -140.926 -16.6996 -140.925 -223.556 GPRESSURE: 1114000 1.32805 -136.814 -19.1518 -88.0156 46.2713 -86.3529 -132.023 -33.5294 -220.32 PRESSAVG: 1114000 -23.5963 -0.0602635 -62.1398 -0.060304 42.302 10.054 -62.1398 10.054 -33.5687 GPRESSAVG: 1114000 -23.4673 -0.367231 -63.9751 1.2944 42.5605 8.23388 -61.462 13.1405 -33.83 TIMING: 1114000 CPU: 3520.02, 0.00316541/step Wall: 3520.02, 0.00316541/step, 3.41689 hours remaining, 234.363281 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: 1114000 4060.2532 20521.8193 14490.6521 232.0268 -203318.5010 2596.9763 0.0000 0.0000 51856.6887 -109560.0845 298.0211 -161416.7733 -109198.6075 298.5566 -81.4725 -57.5735 761018.6801 -4.9543 -4.9123 PRESSURE: 1114200 -223.232 123.403 -45.1814 123.404 78.0482 107.472 -45.1808 107.473 -385.194 GPRESSURE: 1114200 -186.746 89.1599 -76.9227 90.7196 149.422 157.764 -35.2239 27.6002 -406.513 PRESSAVG: 1114200 -28.0259 8.17404 14.1518 8.17408 25.0065 4.27056 14.1518 4.2706 25.4499 GPRESSAVG: 1114200 -27.5422 8.52778 13.327 7.50787 24.3991 6.66538 12.7557 1.20273 25.546 TIMING: 1114200 CPU: 3520.65, 0.0031419/step Wall: 3520.65, 0.0031419/step, 3.39134 hours remaining, 234.363281 MB of memory in use. ENERGY: 1114200 3968.5085 20531.0394 14487.7798 263.2058 -203058.2509 2373.3072 0.0000 0.0000 52053.5568 -109380.8536 299.1525 -161434.4103 -109010.5369 298.8525 -176.7927 -147.9455 761671.9303 7.4768 7.4677 PRESSURE: 1114400 -243.727 -22.92 -216.153 -22.9204 9.47679 -56.3248 -216.153 -56.3255 -21.0863 GPRESSURE: 1114400 -305.257 28.0201 -283.722 -124.065 109.033 -64.3331 -135.132 -6.39038 26.47 PRESSAVG: 1114400 -47.4491 8.06167 -10.547 8.06165 76.777 -55.9857 -10.5471 -55.9858 17.9328 GPRESSAVG: 1114400 -47.5883 8.0704 -10.2425 7.92649 76.283 -57.6688 -9.32357 -55.2612 18.6646 TIMING: 1114400 CPU: 3521.28, 0.00316902/step Wall: 3521.28, 0.00316902/step, 3.42043 hours remaining, 234.363281 MB of memory in use. ENERGY: 1114400 3997.9560 20668.1874 14475.3133 250.7361 -203587.4994 2625.6206 0.0000 0.0000 52087.8675 -109481.8185 299.3497 -161569.6860 -109116.7264 299.5721 -85.1121 -56.5847 760560.0364 15.7535 15.7864 PRESSURE: 1114600 63.0238 -102.364 -162.997 -102.365 288.747 -99.0815 -162.998 -99.0802 -429.083 GPRESSURE: 1114600 63.1588 -130.604 -173.19 -15.0044 254.549 -150.395 -198.347 -99.7291 -323.258 PRESSAVG: 1114600 -45.4708 -102.086 -4.67569 -102.086 7.28623 -53.3171 -4.67568 -53.317 -0.54901 GPRESSAVG: 1114600 -44.6858 -102.843 -3.58415 -101.502 6.88377 -51.3199 -4.57824 -53.3351 -0.580199 TIMING: 1114600 CPU: 3521.91, 0.00313298/step Wall: 3521.91, 0.00313298/step, 3.38135 hours remaining, 234.363281 MB of memory in use. ENERGY: 1114600 3985.3938 20484.0492 14470.9312 264.3878 -203672.1078 2685.6317 0.0000 0.0000 52103.2272 -109678.4870 299.4380 -161781.7142 -109299.2212 299.4287 -25.7707 -1.8502 761402.4367 -12.9112 -12.7941 PRESSURE: 1114800 -31.171 -109.048 53.5464 -109.047 -110.579 36.7474 53.5461 36.7477 182.71 GPRESSURE: 1114800 -1.62819 -98.7513 55.1158 -4.06096 -28.4984 34.5688 196.42 271.234 149.935 PRESSAVG: 1114800 20.1187 -67.7187 25.2941 -67.7188 3.16869 37.4182 25.2941 37.4182 -9.16702 GPRESSAVG: 1114800 19.8325 -65.8954 25.6523 -67.2634 2.39599 36.2612 25.9584 36.9436 -7.78195 TIMING: 1114800 CPU: 3522.54, 0.0031632/step Wall: 3522.54, 0.0031632/step, 3.4138 hours remaining, 234.363281 MB of memory in use. ENERGY: 1114800 3888.0776 20536.1235 14469.4933 246.9609 -203205.9979 2436.8126 0.0000 0.0000 52124.4774 -109504.0525 299.5601 -161628.5299 -109132.0847 298.7296 13.6535 39.9362 761277.3892 4.7068 4.8155 PRESSURE: 1115000 -373.51 198.876 119.109 198.876 -121.287 8.46997 119.109 8.47071 -216.47 GPRESSURE: 1115000 -433.837 171.478 161.216 150.861 -21.0896 9.16248 100.683 17.7635 -155.699 PRESSAVG: 1115000 31.1579 10.4786 7.38131 10.4786 -21.7857 17.3222 7.38142 17.3222 4.20187 GPRESSAVG: 1115000 31.6047 7.97059 8.23973 10.4623 -22.4355 18.0104 5.63549 17.2062 4.8475 TIMING: 1115000 CPU: 3523.17, 0.00315905/step Wall: 3523.17, 0.00315905/step, 3.40914 hours remaining, 234.363281 MB of memory in use. ENERGY: 1115000 4057.3200 20600.8036 14464.5601 254.8791 -202762.5925 2209.6296 0.0000 0.0000 51652.9521 -109522.4480 296.8502 -161175.4000 -109167.6412 299.1252 -237.0889 -203.5418 761897.8321 4.5247 4.6722 PRESSURE: 1115200 -209.318 -347.432 145.666 -347.431 -137.951 -115.81 145.666 -115.81 -28.341 GPRESSURE: 1115200 -138.994 -273.118 54.7011 -320.044 -125.591 -124.452 158.197 -21.2797 -42.4226 PRESSAVG: 1115200 11.8781 -0.427873 58.2508 -0.427827 -30.7997 9.06594 58.2507 9.06598 -26.7267 GPRESSAVG: 1115200 9.6949 -0.359408 57.5045 0.0175316 -28.4758 8.20582 57.8109 10.05 -26.7419 TIMING: 1115200 CPU: 3523.81, 0.00316461/step Wall: 3523.81, 0.00316462/step, 3.41497 hours remaining, 234.363281 MB of memory in use. ENERGY: 1115200 3883.0390 20483.6484 14397.8331 235.5666 -202879.7840 2284.0038 0.0000 0.0000 52131.7891 -109463.9041 299.6021 -161595.6932 -109103.9906 298.7356 -125.2034 -102.3359 763507.4723 -15.2161 -15.1743 PRESSURE: 1115400 -367.442 144.951 -5.64993 144.951 -216.403 146.471 -5.64951 146.472 -13.1595 GPRESSURE: 1115400 -331.909 317.434 35.7108 54.1017 -167.095 180.936 24.6872 22.0997 -23.528 PRESSAVG: 1115400 -8.13531 -19.3736 -8.80993 -19.3736 -18.4342 -22.2406 -8.80989 -22.2406 2.49838 GPRESSAVG: 1115400 -6.38337 -16.9747 -9.9336 -21.3291 -19.2312 -22.2028 -7.15669 -23.1753 2.73415 TIMING: 1115400 CPU: 3524.44, 0.00314424/step Wall: 3524.44, 0.00314424/step, 3.39281 hours remaining, 234.363281 MB of memory in use. ENERGY: 1115400 4019.4061 20396.3115 14475.0398 223.3488 -203250.3853 2494.6895 0.0000 0.0000 51865.3484 -109776.2413 298.0709 -161641.5897 -109411.0936 298.2717 -199.0016 -174.1774 763012.8530 -8.0237 -7.6268 PRESSURE: 1115600 116.024 -251.947 -43.9644 -251.947 -151.518 40.0596 -43.9644 40.0603 -492.922 GPRESSURE: 1115600 33.0875 -236.415 -65.181 -175.666 -22.6887 87.2726 -154.517 49.2062 -453.989 PRESSAVG: 1115600 -20.8483 37.0301 8.05244 37.0301 33.0655 -5.14042 8.05241 -5.14035 -14.9048 GPRESSAVG: 1115600 -20.4326 34.108 8.05711 38.478 33.2421 -4.23671 8.38852 -6.03787 -15.9934 TIMING: 1115600 CPU: 3525.06, 0.00313993/step Wall: 3525.06, 0.00313993/step, 3.38799 hours remaining, 234.363281 MB of memory in use. ENERGY: 1115600 4008.4614 20453.7691 14548.4332 263.6102 -202851.6897 2202.7245 0.0000 0.0000 51777.1279 -109597.5635 297.5639 -161374.6914 -109239.5528 298.2006 -176.1387 -147.8635 761376.8554 -0.8959 -1.0613 PRESSURE: 1115800 143.655 93.7009 -207.372 93.7 -148.58 -34.1878 -207.372 -34.1865 266.232 GPRESSURE: 1115800 188.796 201.661 -164.357 55.2896 -57.9001 -67.6682 -137.306 30.2011 219.991 PRESSAVG: 1115800 -16.9084 29.4512 -31.4628 29.4512 76.0671 4.97735 -31.4627 4.97743 14.0075 GPRESSAVG: 1115800 -16.5772 28.8534 -30.8863 29.0077 75.5645 3.6959 -31.435 6.64889 14.1847 TIMING: 1115800 CPU: 3525.7, 0.00316474/step Wall: 3525.7, 0.00316474/step, 3.41458 hours remaining, 234.363281 MB of memory in use. ENERGY: 1115800 3913.7391 20514.5089 14533.5437 240.7210 -203720.9171 2779.3583 0.0000 0.0000 52110.1824 -109628.8635 299.4779 -161739.0459 -109282.9671 298.5655 87.1025 116.9621 760206.9869 24.3888 24.3907 PRESSURE: 1116000 56.9568 295.776 -79.0559 295.776 139.704 118.149 -79.0549 118.148 -114.328 GPRESSURE: 1116000 120.613 195.129 -14.1261 176.361 102.532 122.438 -7.96761 53.2066 -65.7864 PRESSAVG: 1116000 -42.0106 4.75295 -46.5042 4.75296 60.8642 45.8098 -46.5042 45.8098 6.39519 GPRESSAVG: 1116000 -41.0929 7.66654 -46.9503 4.40339 59.2028 44.8913 -47.0936 44.1016 6.66858 TIMING: 1116000 CPU: 3526.33, 0.00316912/step Wall: 3526.33, 0.00316912/step, 3.41912 hours remaining, 234.363281 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: 1116000 3919.3992 20534.1421 14476.8145 269.0889 -203141.7775 2228.7440 0.0000 0.0000 52108.9931 -109604.5956 299.4711 -161713.5887 -109236.0718 298.6285 27.4444 52.4529 759834.2367 8.4163 8.2595 PRESSURE: 1116200 -46.6051 249.839 -225.125 249.839 -53.2623 -144.699 -225.125 -144.699 -295.698 GPRESSURE: 1116200 -92.0555 216.46 -244.661 181.879 16.3372 -177.726 -179.067 -51.7069 -240.262 PRESSAVG: 1116200 -32.8256 6.7501 -20.3794 6.75003 42.5199 8.15803 -20.3794 8.15802 -9.14517 GPRESSAVG: 1116200 -34.7966 4.84763 -19.4722 7.23073 44.9119 8.6057 -20.2574 9.39938 -9.4393 TIMING: 1116200 CPU: 3526.96, 0.00315751/step Wall: 3526.96, 0.00315751/step, 3.40643 hours remaining, 234.363281 MB of memory in use. ENERGY: 1116200 3950.3776 20464.5529 14427.4958 248.6490 -203358.7935 2509.1810 0.0000 0.0000 51986.6219 -109771.9153 298.7678 -161758.5372 -109414.4707 298.2748 -131.8551 -105.3268 758219.4251 0.1830 0.2254 LDB: ============= START OF LOAD BALANCING ============== 3539.5 LDB: ============== END OF LOAD BALANCING =============== 3539.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3539.5 LDB: ============= START OF LOAD BALANCING ============== 3539.81 LDB: Largest compute 7042 load 0.033865 is 17.3% of average load 0.195374 LDB: Average compute 0.004386 is 2.2% of average load 0.195374 LDB: TIME 3539.82 LOAD: AVG 0.195374 MAX 0.217387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.93 MB LDB: TIME 3539.82 LOAD: AVG 0.195374 MAX 0.217387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: TIME 3539.82 LOAD: AVG 0.195374 MAX 0.217387 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: ============== END OF LOAD BALANCING =============== 3539.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3539.82 PRESSURE: 1116400 155.569 -39.1252 67.3281 -39.1249 -346.751 55.8528 67.3271 55.8513 -92.7961 GPRESSURE: 1116400 190.393 -34.9951 -27.2221 -208.844 -285.045 37.5139 34.5249 129.88 -105.808 PRESSAVG: 1116400 -4.86899 9.26207 -12.7326 9.26211 52.8236 56.8701 -12.7326 56.8701 13.2567 GPRESSAVG: 1116400 -3.71339 9.32836 -13.7031 8.02461 51.8373 57.2265 -13.4837 58.5045 12.1392 TIMING: 1116400 CPU: 3527.61, 0.00322036/step Wall: 3527.61, 0.00322036/step, 3.47405 hours remaining, 233.570312 MB of memory in use. ENERGY: 1116400 3939.9500 20479.8004 14470.4118 251.3976 -203201.9219 2450.2802 0.0000 0.0000 51731.6808 -109878.4011 297.3027 -161610.0819 -109515.6325 298.4232 -94.6592 -66.8198 761003.8267 20.4038 20.0877 PRESSURE: 1116600 54.0642 97.8991 -22.9032 97.8995 -70.5614 7.35334 -22.9035 7.35211 284.987 GPRESSURE: 1116600 67.6575 121.035 -15.9627 84.1813 84.9679 21.6037 32.1155 -52.873 220.666 PRESSAVG: 1116600 -12.2024 -20.4794 -9.32548 -20.4794 38.4262 -22.0731 -9.32545 -22.073 0.504454 GPRESSAVG: 1116600 -11.2663 -20.5288 -9.28053 -20.4292 38.1291 -20.0811 -7.63523 -24.1406 0.29674 TIMING: 1116600 CPU: 3528.24, 0.00316661/step Wall: 3528.24, 0.00316661/step, 3.41589 hours remaining, 233.773438 MB of memory in use. ENERGY: 1116600 3990.6914 20452.2910 14457.9523 242.2434 -203589.9876 2881.0613 0.0000 0.0000 51786.9251 -109778.8231 297.6202 -161565.7482 -109410.7532 298.0957 89.4967 124.4303 761482.9263 8.9094 9.0532 PRESSURE: 1116800 -324.082 -84.1166 26.4731 -84.1164 -245.1 94.7303 26.4735 94.7312 -119.197 GPRESSURE: 1116800 -291.706 -5.11246 44.6277 -61.8948 -163.034 -1.61471 8.89283 48.9067 -139.26 PRESSAVG: 1116800 20.3023 4.32049 39.0209 4.3204 -5.77328 0.0992645 39.0209 0.099251 -19.1474 GPRESSAVG: 1116800 19.8914 4.73666 39.1858 4.94445 -5.97764 -2.14405 35.0396 -1.60869 -18.6388 TIMING: 1116800 CPU: 3528.87, 0.0031661/step Wall: 3528.87, 0.0031661/step, 3.41516 hours remaining, 233.902344 MB of memory in use. ENERGY: 1116800 3982.2861 20541.4942 14506.5773 234.5030 -203290.3232 2399.5272 0.0000 0.0000 51678.6015 -109947.3339 296.9976 -161625.9354 -109597.6493 298.3451 -229.4596 -198.0001 761706.6519 -1.5394 -1.5750 PRESSURE: 1117000 -502.518 19.8231 263.09 19.8231 157.196 49.0808 263.09 49.0812 351.533 GPRESSURE: 1117000 -355.564 171.375 196.33 -26.9987 124.447 12.5304 239.908 -49.6373 327.393 PRESSAVG: 1117000 -22.5244 -16.6063 3.71511 -16.6064 3.75522 -33.317 3.71513 -33.3169 -6.80489 GPRESSAVG: 1117000 -21.2505 -17.2128 3.02574 -16.8508 3.32234 -33.0343 6.06875 -33.3157 -7.22396 TIMING: 1117000 CPU: 3529.51, 0.00317996/step Wall: 3529.51, 0.00317996/step, 3.42994 hours remaining, 233.937500 MB of memory in use. ENERGY: 1117000 3973.8371 20431.1421 14511.7971 242.9232 -203576.9289 2690.3185 0.0000 0.0000 51922.7636 -109804.1473 298.4008 -161726.9110 -109456.5171 298.0202 2.0703 32.0919 763594.9398 -8.5247 -8.3840 PRESSURE: 1117200 208.309 99.5602 57.2533 99.5597 231.033 47.1951 57.2535 47.1952 378.532 GPRESSURE: 1117200 165.308 96.0473 4.57583 119.174 215.855 40.5712 -112.879 -0.895662 512.38 PRESSAVG: 1117200 -51.8967 26.0831 39.6126 26.083 57.8098 -31.8772 39.6126 -31.8772 -8.47672 GPRESSAVG: 1117200 -54.1953 27.7998 39.6297 25.8386 59.0877 -31.0004 37.3718 -31.281 -7.25226 TIMING: 1117200 CPU: 3530.14, 0.00316209/step Wall: 3530.14, 0.00316209/step, 3.41048 hours remaining, 233.937500 MB of memory in use. ENERGY: 1117200 3973.1348 20441.4009 14451.7797 248.2796 -204067.2437 3085.8341 0.0000 0.0000 52220.0567 -109646.7579 300.1094 -161866.8146 -109289.4838 298.2316 272.6248 297.8473 760905.1489 -0.8545 -0.7866 PRESSURE: 1117400 -300.396 46.0088 -168.894 46.0081 -163.145 -144.428 -168.894 -144.428 -144.31 GPRESSURE: 1117400 -234.11 91.9671 -114.282 -44.7525 -145.462 -169.362 -74.8892 -154.569 -165.169 PRESSAVG: 1117400 -83.087 -58.3921 30.5124 -58.3921 70.2268 -32.6991 30.5123 -32.6992 5.0547 GPRESSAVG: 1117400 -81.1583 -60.3824 30.3768 -59.2045 69.4874 -34.2823 31.5589 -31.7346 3.81105 TIMING: 1117400 CPU: 3530.77, 0.00316247/step Wall: 3530.77, 0.00316247/step, 3.41072 hours remaining, 233.937500 MB of memory in use. ENERGY: 1117400 3976.3252 20566.0280 14467.4045 224.5485 -203553.4775 2674.9332 0.0000 0.0000 51869.9796 -109774.2586 298.0975 -161644.2382 -109416.6545 298.5092 -202.6171 -181.5803 763173.3767 -2.6018 -2.6200 PRESSURE: 1117600 -103.268 119.18 -202.536 119.18 44.3834 -162.404 -202.535 -162.405 349.338 GPRESSURE: 1117600 -75.0361 116.796 -224.91 34.9328 38.1253 -250.753 -252.436 -46.2759 403.654 PRESSAVG: 1117600 -28.4467 7.16766 -27.6574 7.16763 50.187 -12.6584 -27.6574 -12.6584 5.95686 GPRESSAVG: 1117600 -30.2042 7.665 -26.342 8.5566 49.1311 -11.7693 -27.3716 -13.4171 8.59729 TIMING: 1117600 CPU: 3531.41, 0.00318201/step Wall: 3531.41, 0.00318201/step, 3.43162 hours remaining, 233.937500 MB of memory in use. ENERGY: 1117600 3930.1741 20517.2734 14448.7566 229.7008 -203673.3571 2759.6715 0.0000 0.0000 52145.2476 -109642.5330 299.6795 -161787.7807 -109282.2985 298.5375 96.8178 122.2478 761733.2850 9.2324 9.1748 PRESSURE: 1117800 105.836 168.668 166.543 168.667 -44.1155 -30.4915 166.543 -30.4906 209.775 GPRESSURE: 1117800 127.052 151.223 85.3331 42.8553 -7.68343 -15.7674 245.755 -52.724 234.73 PRESSAVG: 1117800 -52.8452 -17.293 -69.1318 -17.2929 51.2525 -7.59607 -69.1318 -7.59591 37.2717 GPRESSAVG: 1117800 -52.0029 -19.6977 -69.5966 -17.4295 51.4517 -7.793 -68.1243 -9.1645 36.6649 TIMING: 1117800 CPU: 3532.04, 0.00314444/step Wall: 3532.04, 0.00314444/step, 3.39093 hours remaining, 233.937500 MB of memory in use. ENERGY: 1117800 4040.0504 20396.9057 14475.4784 258.4877 -203075.4296 2609.9116 0.0000 0.0000 51760.9503 -109533.6456 297.4709 -161294.5959 -109170.9171 298.7259 90.4986 118.0328 762471.2939 11.8930 12.0379 PRESSURE: 1118000 -216.219 63.0437 214.453 63.0438 3.64681 -82.7442 214.453 -82.7439 -149.04 GPRESSURE: 1118000 -155.354 125.807 152.368 70.8076 139.737 -28.7097 144.957 34.3128 -239.799 PRESSAVG: 1118000 16.3638 18.1129 -48.7865 18.1128 -17.553 3.96429 -48.7864 3.96425 11.3515 GPRESSAVG: 1118000 16.5072 20.9627 -49.0641 18.4806 -16.7553 4.19292 -51.891 4.94982 10.6899 TIMING: 1118000 CPU: 3532.67, 0.00314753/step Wall: 3532.67, 0.00314753/step, 3.39409 hours remaining, 233.937500 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: 1118000 4062.6656 20507.3875 14484.7714 250.1395 -203614.7666 2781.1473 0.0000 0.0000 51976.6688 -109551.9864 298.7106 -161528.6552 -109193.4600 298.7552 -120.5375 -85.1386 763002.0244 3.3874 3.4806 PRESSURE: 1118200 302.237 142.336 -30.1083 142.337 247.979 17.3603 -30.1078 17.3597 280.388 GPRESSURE: 1118200 303.351 149.656 -81.3112 34.7997 318.455 -8.57824 -51.7377 29.2811 293.765 PRESSAVG: 1118200 32.9956 14.5314 -41.1291 14.5314 -1.36855 15.3682 -41.1292 15.3682 -11.1009 GPRESSAVG: 1118200 32.1699 15.8476 -40.1782 11.611 -1.10483 14.2642 -39.6604 16.6144 -10.3613 TIMING: 1118200 CPU: 3533.3, 0.00317789/step Wall: 3533.3, 0.00317789/step, 3.42665 hours remaining, 234.140625 MB of memory in use. ENERGY: 1118200 3995.5476 20571.8922 14562.6700 256.9150 -203329.8324 2700.4321 0.0000 0.0000 51871.8540 -109370.5216 298.1083 -161242.3756 -109017.5175 298.7023 276.8680 305.1905 762014.7186 6.8420 6.9012 PRESSURE: 1118400 -69.6528 -168.912 -45.91 -168.912 334.091 -0.820278 -45.9102 -0.820717 -121.759 GPRESSURE: 1118400 -58.5164 -179.038 -8.56893 -154.599 314.188 -39.458 -139.942 -86.8748 -21.0544 PRESSAVG: 1118400 44.5156 -19.5033 -11.6816 -19.5034 -29.5402 -10.0953 -11.6817 -10.0953 16.6322 GPRESSAVG: 1118400 47.073 -21.8543 -11.159 -18.4617 -30.4134 -11.9882 -11.9993 -8.40799 14.4697 TIMING: 1118400 CPU: 3533.94, 0.00315403/step Wall: 3533.94, 0.00315403/step, 3.40075 hours remaining, 234.140625 MB of memory in use. ENERGY: 1118400 3965.2374 20363.1634 14539.5448 243.4193 -203420.0500 2688.6894 0.0000 0.0000 52140.2622 -109479.7334 299.6508 -161619.9956 -109118.0053 298.4799 47.5599 78.2057 761530.6073 10.5358 10.3764 PRESSURE: 1118600 112.707 35.1069 12.5345 35.1062 -239.652 -61.4866 12.533 -61.4867 -64.2731 GPRESSURE: 1118600 93.9465 163.292 -10.3518 -11.068 -185.159 104.88 -57.904 -57.3945 -16.2564 PRESSAVG: 1118600 2.9696 61.0535 -1.12654 61.0535 -17.8446 -12.0619 -1.12652 -12.0619 -7.17265 GPRESSAVG: 1118600 1.73712 61.3773 -2.16594 62.1501 -18.22 -8.47344 0.163252 -13.2281 -4.69011 TIMING: 1118600 CPU: 3534.57, 0.00315895/step Wall: 3534.57, 0.00315895/step, 3.40587 hours remaining, 234.140625 MB of memory in use. ENERGY: 1118600 3919.8569 20364.5292 14524.4759 242.4853 -203316.8212 2759.7157 0.0000 0.0000 52046.4433 -109459.3149 299.1116 -161505.7582 -109102.9114 298.7961 -63.7395 -35.8229 762277.0306 -7.3492 -7.0576 PRESSURE: 1118800 -192.295 -37.5773 -56.4866 -37.5775 89.5296 -171.826 -56.4864 -171.825 79.1647 GPRESSURE: 1118800 -63.9663 -80.5245 -65.2792 -206.549 44.2091 -141.776 -45.4643 -232.727 85.5341 PRESSAVG: 1118800 39.9625 -13.3225 -1.75927 -13.3225 -1.71553 -11.9371 -1.75928 -11.9371 -8.88531 GPRESSAVG: 1118800 40.1812 -12.6049 -2.02084 -14.0294 -0.218959 -13.028 -1.36514 -14.1009 -10.3001 TIMING: 1118800 CPU: 3535.2, 0.00315586/step Wall: 3535.2, 0.00315586/step, 3.40237 hours remaining, 234.140625 MB of memory in use. ENERGY: 1118800 4026.3539 20461.4207 14446.0868 251.2117 -203321.5891 2755.8092 0.0000 0.0000 52038.9303 -109341.7765 299.0684 -161380.7068 -108992.9089 299.0758 -7.8668 21.9257 760851.6085 9.7872 9.8874 PRESSURE: 1119000 -104.286 148.765 -50.6436 148.765 55.112 8.10765 -50.6435 8.10788 -143.252 GPRESSURE: 1119000 -122.637 136.671 -42.2004 266.05 129.401 27.3822 -75.4397 34.949 -101.981 PRESSAVG: 1119000 -21.251 28.7071 -74.002 28.707 11.2106 13.838 -74.0021 13.8381 -18.707 GPRESSAVG: 1119000 -21.5868 28.8421 -76.1429 29.523 10.3351 12.2151 -74.0239 15.8044 -17.7696 TIMING: 1119000 CPU: 3535.83, 0.00315/step Wall: 3535.83, 0.00315/step, 3.39588 hours remaining, 234.140625 MB of memory in use. ENERGY: 1119000 3939.9089 20552.1986 14474.0824 262.3860 -203356.6725 2725.2931 0.0000 0.0000 52068.3520 -109334.4515 299.2375 -161402.8035 -108966.5997 299.4627 -64.1420 -31.7389 761369.7843 -9.5825 -9.6738 PRESSURE: 1119200 34.5064 66.0291 -173.342 66.0291 49.9903 54.7752 -173.34 54.7754 13.9341 GPRESSURE: 1119200 45.6895 87.5007 -215.319 -21.2665 132.111 -14.5265 -178.92 39.4991 17.0569 PRESSAVG: 1119200 -49.4984 32.3584 -37.853 32.3584 62.6599 -2.19382 -37.853 -2.19382 -2.91985 GPRESSAVG: 1119200 -48.7436 31.8943 -35.6154 32.8587 62.4992 -1.82096 -41.5518 -2.70532 -3.09002 TIMING: 1119200 CPU: 3536.46, 0.00313161/step Wall: 3536.46, 0.00313161/step, 3.37588 hours remaining, 234.140625 MB of memory in use. ENERGY: 1119200 3897.3144 20491.0471 14412.6001 236.9898 -203187.5351 2588.4200 0.0000 0.0000 52250.7505 -109310.4132 300.2858 -161561.1637 -108944.8704 299.1187 32.8103 64.9525 762059.6042 3.4139 3.5552 PRESSURE: 1119400 19.4342 3.63744 152.318 3.63771 113.026 -213.224 152.317 -213.225 -213.241 GPRESSURE: 1119400 -11.8367 -46.9174 119.905 -115.927 107.534 -246.867 81.7214 -277.406 -114.233 PRESSAVG: 1119400 -37.2988 -11.2528 -50.1515 -11.2528 1.07924 -29.7596 -50.1515 -29.7596 -2.83114 GPRESSAVG: 1119400 -38.3203 -10.8825 -50.4915 -12.5463 1.16528 -30.1468 -47.3256 -28.9327 -2.61994 TIMING: 1119400 CPU: 3537.08, 0.00313993/step Wall: 3537.08, 0.00313993/step, 3.38467 hours remaining, 234.140625 MB of memory in use. ENERGY: 1119400 3932.3318 20623.0981 14466.0478 245.7422 -203333.3777 2692.3412 0.0000 0.0000 52184.9277 -109188.8889 299.9075 -161373.8167 -108824.2652 299.2494 -26.9267 -6.1786 764828.2627 -13.0169 -13.2583 PRESSURE: 1119600 -161.968 -195.294 60.0912 -195.293 -728.258 202.123 60.091 202.123 -240.051 GPRESSURE: 1119600 -191.865 -80.3771 76.3722 -116.911 -655.955 294.14 93.2703 198.265 -209.969 PRESSAVG: 1119600 8.48174 -23.6561 26.6989 -23.6562 2.81402 -42.5827 26.6989 -42.5827 5.34452 GPRESSAVG: 1119600 9.33484 -25.3598 28.5464 -23.2979 3.83491 -42.1434 23.982 -42.4864 3.69779 TIMING: 1119600 CPU: 3537.71, 0.00315273/step Wall: 3537.71, 0.00315273/step, 3.39829 hours remaining, 234.140625 MB of memory in use. ENERGY: 1119600 4035.8846 20538.6608 14452.0907 253.8099 -202939.9780 2381.1107 0.0000 0.0000 52017.4576 -109260.9637 298.9450 -161278.4214 -108901.4186 299.4592 -376.7590 -352.5961 764528.1800 5.5468 5.6225 PRESSURE: 1119800 -98.0038 -58.7419 -138.133 -58.7419 -89.8826 154.857 -138.133 154.857 298.43 GPRESSURE: 1119800 -52.9341 38.7389 -117.6 -71.5379 22.4128 17.0262 -18.7505 114.369 201.367 PRESSAVG: 1119800 -9.96468 -6.7814 -25.0826 -6.78139 0.0307345 -8.92685 -25.0825 -8.92681 -16.4734 GPRESSAVG: 1119800 -10.2282 -4.61971 -26.0386 -8.52264 0.0808213 -9.25285 -23.2098 -11.1901 -16.0827 TIMING: 1119800 CPU: 3538.34, 0.00314579/step Wall: 3538.34, 0.00314579/step, 3.39064 hours remaining, 234.140625 MB of memory in use. ENERGY: 1119800 3993.0474 20480.5375 14553.2564 273.9701 -203194.7299 2677.1412 0.0000 0.0000 52022.6845 -109194.0926 298.9751 -161216.7772 -108839.5560 299.2494 36.8477 56.9486 763456.4309 -8.8025 -8.7434 PRESSURE: 1120000 -166.565 -47.8081 85.5406 -47.8088 308.981 -185.793 85.5414 -185.793 46.1891 GPRESSURE: 1120000 -115.15 -16.5644 110.722 2.73665 364.806 -167.721 58.252 -168.936 35.45 PRESSAVG: 1120000 22.1006 29.425 28.4324 29.4251 -8.17904 -51.5323 28.4324 -51.5323 1.31524 GPRESSAVG: 1120000 22.9472 30.0019 30.1066 28.635 -9.0366 -50.1188 26.2788 -50.0263 1.72235 TIMING: 1120000 CPU: 3538.97, 0.00315708/step Wall: 3538.97, 0.00315708/step, 3.40263 hours remaining, 234.140625 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: 1120000 4084.9076 20519.5979 14464.0952 244.8458 -203730.6358 2981.2068 0.0000 0.0000 52355.3928 -109080.5897 300.8872 -161435.9824 -108725.0119 299.8735 62.8684 95.0353 763015.7070 5.0789 5.2110 PRESSURE: 1120200 -45.5059 -116.689 118.778 -116.69 52.0128 -262.619 118.777 -262.62 57.1566 GPRESSURE: 1120200 -45.485 -36.9176 153.132 -122.57 51.5749 -251.349 175.18 -357.869 115.866 PRESSAVG: 1120200 3.58493 -44.785 21.9795 -44.785 -6.16019 -41.0258 21.9795 -41.0259 11.3748 GPRESSAVG: 1120200 3.16867 -45.0939 19.5426 -42.9187 -5.69963 -40.8462 24.9773 -39.2706 11.2288 TIMING: 1120200 CPU: 3539.6, 0.00312689/step Wall: 3539.6, 0.00312689/step, 3.36992 hours remaining, 234.140625 MB of memory in use. ENERGY: 1120200 3930.1412 20624.7554 14550.4296 251.8245 -202828.7332 2334.0664 0.0000 0.0000 51958.7523 -109178.7639 298.6077 -161137.5162 -108813.2202 299.9490 21.2212 40.6519 763219.7946 2.9332 2.8993 LDB: ============= START OF LOAD BALANCING ============== 3552.13 LDB: ============== END OF LOAD BALANCING =============== 3552.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3552.13 LDB: ============= START OF LOAD BALANCING ============== 3552.45 LDB: Largest compute 7053 load 0.030904 is 15.8% of average load 0.195417 LDB: Average compute 0.004383 is 2.2% of average load 0.195417 LDB: TIME 3552.45 LOAD: AVG 0.195417 MAX 0.220057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.133 MB LDB: TIME 3552.45 LOAD: AVG 0.195417 MAX 0.220057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.336 MB LDB: TIME 3552.45 LOAD: AVG 0.195417 MAX 0.217339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.336 MB LDB: ============== END OF LOAD BALANCING =============== 3552.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3552.46 PRESSURE: 1120400 71.3988 43.5473 -225.563 43.548 -189.275 34.2283 -225.564 34.2275 -153.17 GPRESSURE: 1120400 103.741 47.6161 -236.305 9.16089 -129.229 24.9358 -174.438 -144.534 -154.541 PRESSAVG: 1120400 -41.4111 -51.1298 45.0421 -51.1298 50.1385 -40.8236 45.0421 -40.8237 -7.99429 GPRESSAVG: 1120400 -40.9425 -52.2558 48.7573 -50.915 48.951 -40.3911 41.0248 -42.1852 -7.19091 TIMING: 1120400 CPU: 3540.24, 0.00322153/step Wall: 3540.24, 0.00322153/step, 3.47173 hours remaining, 234.730469 MB of memory in use. ENERGY: 1120400 4010.5674 20482.9216 14431.0580 253.1495 -203292.1071 2932.2630 0.0000 0.0000 52192.4365 -108989.7112 299.9506 -161182.1477 -108620.3718 299.5370 -90.3488 -60.0097 764283.7023 0.2444 0.2725 PRESSURE: 1120600 -370.52 166.072 -33.8143 166.072 -232.063 -169.623 -33.8146 -169.623 -576.134 GPRESSURE: 1120600 -291.87 145.461 -6.87172 50.9428 -200.696 -129.196 -110.895 30.0023 -603.151 PRESSAVG: 1120600 -62.8633 -43.9477 -30.4233 -43.9476 15.3163 -45.0434 -30.4233 -45.0433 6.59041 GPRESSAVG: 1120600 -63.6097 -43.8084 -33.5857 -44.5827 16.8624 -46.4761 -27.8036 -43.9266 5.60901 TIMING: 1120600 CPU: 3540.88, 0.00316757/step Wall: 3540.88, 0.00316757/step, 3.41341 hours remaining, 235.132812 MB of memory in use. ENERGY: 1120600 4066.8945 20461.8761 14476.9954 242.2520 -203214.8684 2734.4604 0.0000 0.0000 52047.5082 -109184.8818 299.1177 -161232.3900 -108816.6752 299.5531 -392.9055 -365.2387 764431.8999 -13.6522 -13.7127 PRESSURE: 1120800 250.235 30.7542 121.878 30.7542 188.7 203.155 121.878 203.155 136.679 GPRESSURE: 1120800 260.25 63.9094 182.243 44.3575 252.517 214.568 76.1963 242.943 139.36 PRESSAVG: 1120800 -9.09638 -4.42728 -10.752 -4.42728 37.4691 -21.0505 -10.752 -21.0504 -2.25169 GPRESSAVG: 1120800 -8.5482 -4.55692 -9.79868 -1.60642 37.3264 -19.7677 -10.5032 -21.9341 -2.21771 TIMING: 1120800 CPU: 3541.51, 0.0031809/step Wall: 3541.51, 0.0031809/step, 3.42759 hours remaining, 235.394531 MB of memory in use. ENERGY: 1120800 3962.4981 20513.7561 14421.4875 238.9621 -203258.7897 2590.0540 0.0000 0.0000 52228.0637 -109303.9682 300.1554 -161532.0319 -108937.8487 298.9722 191.8717 217.3758 762998.0477 8.7070 8.8535 PRESSURE: 1121000 -410.664 -100.697 161.405 -100.698 -185.515 199.106 161.404 199.106 -254.847 GPRESSURE: 1121000 -484.599 -116.754 143.861 -127.353 -112.796 55.3621 110.115 256.425 -174.294 PRESSAVG: 1121000 -75.3686 -21.1604 -50.5114 -21.1604 57.0477 -13.2237 -50.5113 -13.2237 -3.64657 GPRESSAVG: 1121000 -75.9837 -20.866 -50.8224 -22.8253 55.9154 -12.6799 -51.3536 -12.5776 -2.36274 TIMING: 1121000 CPU: 3542.15, 0.00318779/step Wall: 3542.15, 0.00318779/step, 3.43485 hours remaining, 235.406250 MB of memory in use. ENERGY: 1121000 4057.8470 20526.7300 14535.2931 268.5143 -203184.7883 2477.5939 0.0000 0.0000 51862.9518 -109455.8581 298.0571 -161318.8100 -109102.2197 299.0351 -283.6753 -257.2296 761674.7612 -7.3225 -7.4770 PRESSURE: 1121200 339.776 -120.88 12.0365 -120.881 -52.1166 -229.876 12.0366 -229.876 52.1563 GPRESSURE: 1121200 293.897 -172.635 -12.273 -105.039 55.3314 -136.98 47.8511 -335.617 70.9793 PRESSAVG: 1121200 -36.7245 -56.1791 -7.47609 -56.1791 0.584993 -73.0536 -7.4761 -73.0536 -5.64706 GPRESSAVG: 1121200 -35.3571 -54.6649 -8.35882 -58.6704 1.12387 -73.004 -6.30861 -75.4302 -7.1812 TIMING: 1121200 CPU: 3542.78, 0.00314286/step Wall: 3542.78, 0.00314286/step, 3.38626 hours remaining, 235.406250 MB of memory in use. ENERGY: 1121200 3939.5267 20544.1449 14515.8946 258.8018 -203350.1437 2683.1477 0.0000 0.0000 52131.3610 -109277.2670 299.5996 -161408.6280 -108905.9021 299.1848 113.2720 140.0693 761819.9148 -13.9288 -13.8048 PRESSURE: 1121400 191.607 24.734 -42.8046 24.7338 41.6941 55.5012 -42.8045 55.5014 -76.3261 GPRESSURE: 1121400 165.698 15.2389 -91.3254 15.8924 124.731 37.247 -70.9836 119.204 -57.1594 PRESSAVG: 1121400 -6.17467 24.8958 -8.36008 24.8959 13.0416 -37.939 -8.36008 -37.9391 7.59343 GPRESSAVG: 1121400 -7.69905 22.4235 -8.59222 25.4056 13.0752 -38.4193 -9.3207 -36.8292 8.5997 TIMING: 1121400 CPU: 3543.41, 0.00316051/step Wall: 3543.41, 0.00316051/step, 3.4051 hours remaining, 235.406250 MB of memory in use. ENERGY: 1121400 3867.2146 20669.1127 14475.1901 241.8413 -203382.5911 2652.2109 0.0000 0.0000 52284.6498 -109192.3716 300.4806 -161477.0214 -108822.8723 299.3100 52.3251 77.7564 761298.6919 4.8201 4.6586 PRESSURE: 1121600 370.283 165.242 -185.227 165.242 -3.31828 74.1009 -185.228 74.1 143.72 GPRESSURE: 1121600 382.757 162.506 -145.045 76.1119 73.7896 5.32738 -109.022 72.9156 145.008 PRESSAVG: 1121600 42.4026 -33.2289 1.44891 -33.2289 32.1896 -17.3688 1.44894 -17.3687 -13.9683 GPRESSAVG: 1121600 42.57 -32.2747 4.10075 -33.5302 31.561 -16.8537 0.467364 -16.9672 -13.2731 TIMING: 1121600 CPU: 3544.04, 0.00316363/step Wall: 3544.04, 0.00316363/step, 3.40829 hours remaining, 235.406250 MB of memory in use. ENERGY: 1121600 4042.9272 20678.5206 14562.4720 236.6478 -204086.0614 3109.0659 0.0000 0.0000 52352.2934 -109104.1345 300.8693 -161456.4279 -108749.8733 300.0718 170.2280 200.5181 759564.2023 20.2079 20.2860 PRESSURE: 1121800 -254.168 173.417 -13.5363 173.416 169.364 20.2955 -13.5357 20.2965 190.595 GPRESSURE: 1121800 -219.188 121.482 -102.673 242.042 228.567 73.4881 -19.5274 -68.1074 178.338 PRESSAVG: 1121800 -77.5466 -33.8618 -10.3973 -33.8618 101.585 -44.9662 -10.3973 -44.9662 -5.90742 GPRESSAVG: 1121800 -79.2256 -34.9271 -12.3148 -33.3372 103.737 -46.0766 -8.72458 -43.6614 -6.21433 TIMING: 1121800 CPU: 3544.68, 0.00316653/step Wall: 3544.68, 0.00316653/step, 3.41123 hours remaining, 235.406250 MB of memory in use. ENERGY: 1121800 3992.8377 20524.2786 14496.4709 241.4874 -203171.5902 2500.8850 0.0000 0.0000 52331.8899 -109083.7408 300.7521 -161415.6307 -108717.3101 300.0132 35.2638 62.5724 761618.8698 6.0436 6.0989 PRESSURE: 1122000 257.831 205.262 153.509 205.262 212.836 8.23809 153.508 8.23878 -258.46 GPRESSURE: 1122000 309.307 408.819 221.698 194.632 295.717 -0.506052 153.446 -89.7335 -308.244 PRESSAVG: 1122000 -15.1052 -9.96538 13.7859 -9.96536 9.36665 -77.7458 13.7859 -77.7457 12.1851 GPRESSAVG: 1122000 -12.5396 -9.0802 12.3094 -8.93889 7.80078 -78.0028 13.593 -79.7308 11.4882 TIMING: 1122000 CPU: 3545.31, 0.00317005/step Wall: 3545.31, 0.00317005/step, 3.41485 hours remaining, 235.406250 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: 1122000 3997.1109 20475.7320 14565.2391 241.5119 -203505.2440 2869.2150 0.0000 0.0000 52037.4452 -109318.9899 299.0599 -161356.4351 -108949.1583 300.0576 70.7354 98.9268 762651.5248 2.1489 2.2498 PRESSURE: 1122200 -338.356 42.3762 -23.9554 42.3759 -33.5428 -25.9969 -23.9554 -25.9965 -60.0122 GPRESSURE: 1122200 -330.471 32.5154 -37.8865 -92.282 30.3211 -79.7576 42.0756 -92.997 -30.703 PRESSAVG: 1122200 26.3734 -48.3595 -4.44351 -48.3595 -14.7521 -107.906 -4.4435 -107.906 -22.019 GPRESSAVG: 1122200 25.1511 -49.5977 -3.85154 -47.0343 -13.8911 -107.279 -5.03293 -107.152 -21.4229 TIMING: 1122200 CPU: 3545.95, 0.00317061/step Wall: 3545.95, 0.00317061/step, 3.41527 hours remaining, 235.406250 MB of memory in use. ENERGY: 1122200 4023.3204 20548.3105 14533.3994 260.9803 -203366.7022 2601.8069 0.0000 0.0000 52034.7852 -109364.0996 299.0446 -161398.8848 -109009.9442 299.4905 -143.9704 -110.2844 762208.6599 -3.4659 -3.3876 PRESSURE: 1122400 182.511 139.132 105.684 139.132 -95.1539 -40.7625 105.684 -40.764 421.768 GPRESSURE: 1122400 257.667 114.32 76.32 83.0536 -0.435841 -6.68125 124.592 -79.2958 350.298 PRESSAVG: 1122400 26.2205 -20.1209 -34.8786 -20.1208 -51.7733 -9.349 -34.8786 -9.34903 -4.96996 GPRESSAVG: 1122400 26.5329 -18.5365 -35.4992 -22.412 -52.1995 -9.5193 -34.6753 -11.6941 -4.82498 TIMING: 1122400 CPU: 3546.58, 0.00315685/step Wall: 3546.58, 0.00315685/step, 3.40027 hours remaining, 235.406250 MB of memory in use. ENERGY: 1122400 4032.5599 20418.5207 14531.9890 245.1463 -203828.0164 2954.9081 0.0000 0.0000 52102.3286 -109542.5639 299.4328 -161644.8925 -109180.8882 299.2172 169.7084 202.5097 762397.3467 -10.1743 -10.1638 PRESSURE: 1122600 124.37 -61.4013 20.2376 -61.401 205.776 108.415 20.2385 108.414 229.444 GPRESSURE: 1122600 157.585 -106.232 112.702 -18.4053 243.176 189.769 -72.6761 -25.3686 245.513 PRESSAVG: 1122600 43.4338 -52.7862 4.67133 -52.7863 -40.9209 -30.0313 4.6714 -30.0314 -8.09472 GPRESSAVG: 1122600 43.6659 -52.8394 6.83188 -53.9769 -40.1039 -28.9058 1.72296 -27.3918 -8.70883 TIMING: 1122600 CPU: 3547.21, 0.00315203/step Wall: 3547.21, 0.00315203/step, 3.39491 hours remaining, 235.406250 MB of memory in use. ENERGY: 1122600 3995.6852 20571.3039 14512.0825 257.4314 -203341.8329 2652.4175 0.0000 0.0000 52134.9072 -109218.0051 299.6200 -161352.9123 -108855.1184 299.5092 186.5301 215.4246 762319.3316 -1.8606 -1.7156 PRESSURE: 1122800 95.8965 -155.556 -217.752 -155.556 117.557 8.43697 -217.751 8.43756 122.177 GPRESSURE: 1122800 102.553 -183.641 -266.193 -117.884 148.15 -54.143 -158.939 -50.2141 170.135 PRESSAVG: 1122800 47.9702 16.9772 -10.9186 16.9772 -24.5354 3.29856 -10.9186 3.29859 -24.8258 GPRESSAVG: 1122800 48.2712 16.742 -12.1743 18.5886 -25.3764 3.05174 -5.84008 0.70413 -24.33 TIMING: 1122800 CPU: 3547.84, 0.00316061/step Wall: 3547.84, 0.00316061/step, 3.40398 hours remaining, 235.406250 MB of memory in use. ENERGY: 1122800 3963.6464 20589.8847 14526.3026 231.5340 -203340.1077 2695.7277 0.0000 0.0000 52131.9869 -109201.0256 299.6032 -161333.0124 -108844.6704 299.8721 111.8767 140.2790 761685.0752 -0.4637 -0.4784 PRESSURE: 1123000 -39.4168 -35.6439 31.3241 -35.6437 -89.3488 63.5717 31.3234 63.5712 71.9625 GPRESSURE: 1123000 20.1779 -33.5055 84.8672 -134.153 -58.1731 102.013 82.1836 148.938 89.6668 PRESSAVG: 1123000 47.6834 5.88977 -74.0649 5.88985 -20.4878 -30.8632 -74.0649 -30.8633 32.3481 GPRESSAVG: 1123000 46.9934 4.98123 -72.4435 7.26508 -19.793 -31.6167 -76.7051 -28.5061 32.0357 TIMING: 1123000 CPU: 3548.47, 0.00316423/step Wall: 3548.47, 0.00316423/step, 3.4077 hours remaining, 235.406250 MB of memory in use. ENERGY: 1123000 3960.7638 20525.0837 14497.8742 255.6900 -203347.4829 2531.8237 0.0000 0.0000 52285.0435 -109291.2040 300.4829 -161576.2475 -108920.1859 299.4981 -18.9344 17.2239 761472.9530 19.8479 19.7454 PRESSURE: 1123200 -265.703 58.89 -171.605 58.8885 -290.178 149.413 -171.605 149.413 -577.911 GPRESSURE: 1123200 -202.884 38.0798 -200.937 74.4089 -307.246 105.385 -215.12 110.973 -538.289 PRESSAVG: 1123200 -8.06432 -9.46459 -77.0318 -9.46457 18.5458 -36.2479 -77.0318 -36.2479 -4.2638 GPRESSAVG: 1123200 -7.26743 -10.0555 -78.4124 -10.3652 17.2964 -36.9114 -77.0732 -37.6991 -3.57277 TIMING: 1123200 CPU: 3549.1, 0.003152/step Wall: 3549.1, 0.003152/step, 3.39435 hours remaining, 235.406250 MB of memory in use. ENERGY: 1123200 4071.8600 20524.3713 14388.2884 255.7670 -203016.0921 2499.9568 0.0000 0.0000 52062.1687 -109213.6799 299.2020 -161275.8486 -108841.7592 299.6688 -377.9306 -349.4731 763456.3919 2.0726 2.1521 PRESSURE: 1123400 152.31 -104.235 -113.081 -104.236 216.465 -445.116 -113.082 -445.116 -42.8122 GPRESSURE: 1123400 149.117 -196.08 -166.726 -57.8897 247.8 -418.604 -59.791 -485.096 15.4542 PRESSAVG: 1123400 -45.4882 17.2514 -52.8742 17.2514 20.7392 -17.1223 -52.8742 -17.1222 5.17486 GPRESSAVG: 1123400 -44.7352 17.8866 -53.1498 17.4697 21.6951 -16.6631 -50.9357 -17.2491 2.97548 TIMING: 1123400 CPU: 3549.74, 0.00316569/step Wall: 3549.74, 0.00316569/step, 3.40892 hours remaining, 235.406250 MB of memory in use. ENERGY: 1123400 3975.5591 20502.5550 14429.4397 265.1635 -203692.8494 2932.4847 0.0000 0.0000 52089.1488 -109498.4985 299.3571 -161587.6473 -109127.0128 299.2896 108.6543 137.4571 761608.2340 -6.5247 -6.6882 PRESSURE: 1123600 70.4035 -112.021 241.119 -112.02 -258.044 -158.798 241.119 -158.799 202.588 GPRESSURE: 1123600 140.08 -93.0145 172.743 -177.641 -264.828 -92.0265 170.273 -212.07 221.733 PRESSAVG: 1123600 -33.6132 0.461539 -26.0988 0.461563 22.8923 -35.444 -26.0988 -35.444 12.5854 GPRESSAVG: 1123600 -34.6192 1.1807 -26.1404 -1.54039 22.0402 -36.6959 -27.2389 -33.958 14.2154 TIMING: 1123600 CPU: 3550.37, 0.00317829/step Wall: 3550.37, 0.00317829/step, 3.42232 hours remaining, 235.609375 MB of memory in use. ENERGY: 1123600 3911.0792 20394.7537 14434.4606 269.4209 -203477.6573 2619.4436 0.0000 0.0000 52327.2351 -109521.2643 300.7253 -161848.4994 -109154.6735 299.1439 4.9826 32.3283 759884.8999 0.6215 0.5455 PRESSURE: 1123800 -288.268 64.2817 -26.101 64.2826 -157.3 107.91 -26.1008 107.91 -71.0143 GPRESSURE: 1123800 -128.022 -36.7612 -51.8449 20.9364 -229.177 41.3873 49.7271 26.6141 -70.0586 PRESSAVG: 1123800 44.5777 -6.64462 -24.4754 -6.64462 -32.0502 -60.3963 -24.4754 -60.3963 3.31178 GPRESSAVG: 1123800 44.8495 -7.39323 -23.9176 -5.53289 -31.7881 -59.6354 -23.5651 -61.3911 3.2385 TIMING: 1123800 CPU: 3551, 0.00314364/step Wall: 3551, 0.00314364/step, 3.38482 hours remaining, 235.609375 MB of memory in use. ENERGY: 1123800 3891.4012 20490.9160 14526.0014 237.4891 -203003.4704 2399.9425 0.0000 0.0000 51828.9043 -109628.8158 297.8614 -161457.7201 -109269.8548 299.0155 -172.1941 -142.4193 761302.9328 5.2798 5.4333 PRESSURE: 1124000 232.778 224.67 -67.6079 224.67 308.651 284.054 -67.6083 284.055 440.92 GPRESSURE: 1124000 291.943 309.749 77.4034 222.142 326.357 285.722 -153.064 203.812 429.209 PRESSAVG: 1124000 -20.9483 18.4975 -0.548801 18.4976 32.011 59.9152 -0.548747 59.9152 4.79134 GPRESSAVG: 1124000 -21.0332 18.4316 -1.28532 20.492 32.6821 61.8017 -2.97837 57.5627 3.8056 TIMING: 1124000 CPU: 3551.63, 0.00314554/step Wall: 3551.63, 0.00314554/step, 3.3867 hours remaining, 235.609375 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: 1124000 3928.1996 20556.6787 14477.3997 242.9998 -203728.8798 2818.6783 0.0000 0.0000 52195.7478 -109509.1758 299.9697 -161704.9236 -109152.9085 298.9900 327.4498 349.1699 758861.6332 5.2847 5.1515 PRESSURE: 1124200 2.81954 -52.626 -137.645 -52.6272 -88.1644 61.3702 -137.645 61.3708 -84.5396 GPRESSURE: 1124200 27.7107 -70.188 -204.35 37.4755 -5.20599 103.679 -144.164 -31.0551 -132.165 PRESSAVG: 1124200 -51.4173 -1.9104 -17.6058 -1.91037 16.0118 -8.69431 -17.6058 -8.69422 6.85755 GPRESSAVG: 1124200 -51.8851 -1.56395 -16.8741 -3.77091 15.7802 -10.831 -15.6376 -6.55648 7.02985 TIMING: 1124200 CPU: 3552.26, 0.00312988/step Wall: 3552.26, 0.00312988/step, 3.36966 hours remaining, 235.609375 MB of memory in use. ENERGY: 1124200 3915.6754 20556.7651 14472.3284 250.6064 -203356.5845 2557.0745 0.0000 0.0000 51835.0316 -109769.1031 297.8966 -161604.1347 -109403.7953 298.5136 -56.6282 -36.5535 760836.4200 -9.5160 -9.6917 LDB: ============= START OF LOAD BALANCING ============== 3564.79 LDB: ============== END OF LOAD BALANCING =============== 3564.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3564.79 LDB: ============= START OF LOAD BALANCING ============== 3565.1 LDB: Largest compute 7042 load 0.032470 is 16.6% of average load 0.195451 LDB: Average compute 0.004355 is 2.2% of average load 0.195451 LDB: TIME 3565.11 LOAD: AVG 0.195451 MAX 0.215944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 3565.11 LOAD: AVG 0.195451 MAX 0.215944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.973 MB LDB: TIME 3565.11 LOAD: AVG 0.195451 MAX 0.215944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.973 MB LDB: ============== END OF LOAD BALANCING =============== 3565.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3565.11 PRESSURE: 1124400 72.0973 -163.054 -89.7567 -163.053 -216.666 47.2823 -89.7565 47.2824 39.7843 GPRESSURE: 1124400 75.9446 -141.145 -56.8677 -124.725 -172.006 7.82538 -154.982 29.4196 67.6821 PRESSAVG: 1124400 -54.7121 14.4026 -2.99863 14.4026 30.904 30.7818 -2.99858 30.7819 11.3747 GPRESSAVG: 1124400 -54.6582 16.1285 -3.5803 13.8545 30.3375 31.3224 -4.77537 31.9935 11.4913 TIMING: 1124400 CPU: 3552.9, 0.00320302/step Wall: 3552.9, 0.00320303/step, 3.44823 hours remaining, 232.878906 MB of memory in use. ENERGY: 1124400 3954.0500 20472.6761 14492.1382 246.9366 -203219.6813 2572.6948 0.0000 0.0000 51863.8838 -109617.3017 298.0625 -161481.1855 -109248.6642 298.4830 -34.9281 -9.4599 763172.9989 -4.1445 -4.2765 PRESSURE: 1124600 -121.65 68.6814 110.015 68.6814 276.455 198.461 110.015 198.462 587.849 GPRESSURE: 1124600 -76.7808 -23.8851 163.11 -8.42693 251.472 208.17 124.892 239.002 641.026 PRESSAVG: 1124600 57.5338 48.349 -38.4202 48.349 -47.8204 4.3102 -38.4202 4.31018 24.2207 GPRESSAVG: 1124600 57.828 47.8613 -36.5948 48.652 -48.5767 4.19595 -37.009 4.78845 23.649 TIMING: 1124600 CPU: 3553.52, 0.0031383/step Wall: 3553.52, 0.0031383/step, 3.37838 hours remaining, 233.003906 MB of memory in use. ENERGY: 1124600 3954.1565 20450.8117 14498.9577 260.1657 -203458.9728 2984.6641 0.0000 0.0000 51580.8359 -109729.3812 296.4358 -161310.2172 -109379.0784 298.0110 247.5514 271.9058 759459.8591 11.3114 10.9668 PRESSURE: 1124800 149.916 -48.2606 -176.785 -48.2596 -133.724 119.654 -176.786 119.655 -38.5647 GPRESSURE: 1124800 207.495 -91.7733 -213.767 -124.605 -118.581 143.178 -160.692 123.573 -32.5644 PRESSAVG: 1124800 2.85231 27.5066 -0.0542735 27.5066 24.7364 15.8417 -0.0542921 15.8417 2.92347 GPRESSAVG: 1124800 1.28894 26.0205 -1.779 26.592 25.5447 16.8961 -1.68085 15.4033 3.66148 TIMING: 1124800 CPU: 3554.15, 0.00314036/step Wall: 3554.15, 0.00314036/step, 3.38043 hours remaining, 233.207031 MB of memory in use. ENERGY: 1124800 3949.2111 20294.2995 14547.7903 231.4729 -203281.7936 2485.2946 0.0000 0.0000 52104.0169 -109669.7083 299.4425 -161773.7252 -109306.2575 298.7955 -7.4576 18.7830 761742.2821 10.1707 10.1651 PRESSURE: 1125000 34.4879 -64.2263 32.164 -64.2252 248.613 -89.9071 32.1628 -89.9065 -295.459 GPRESSURE: 1125000 44.5124 77.8116 -32.126 33.3089 232.876 -133.927 91.0064 -87.959 -221.448 PRESSAVG: 1125000 9.7674 -2.91044 19.9685 -2.91047 61.4917 62.3801 19.9686 62.3801 -1.15951 GPRESSAVG: 1125000 10.8051 -2.53652 20.5735 -1.91982 60.3017 62.2786 21.3497 61.1864 -1.22542 TIMING: 1125000 CPU: 3554.78, 0.00315348/step Wall: 3554.78, 0.00315348/step, 3.39438 hours remaining, 233.207031 MB of memory in use. ENERGY: 1125000 4041.7466 20580.3090 14382.4156 245.1716 -203516.1362 2779.9763 0.0000 0.0000 51948.3093 -109538.2078 298.5476 -161486.5171 -109180.9769 299.0245 -4.1191 18.6465 761658.1741 23.3665 23.2938 PRESSURE: 1125200 -25.7236 165.528 99.9348 165.528 -138.942 -43.144 99.9339 -43.1425 -264.08 GPRESSURE: 1125200 53.6018 66.0968 16.9662 253.717 -142.512 39.5883 159.731 20.3269 -255.859 PRESSAVG: 1125200 5.56371 -6.38253 15.5166 -6.38257 -14.7814 36.1087 15.5166 36.1087 -11.1635 GPRESSAVG: 1125200 5.78905 -8.18092 14.6679 -5.31399 -14.3299 35.3917 14.2393 35.8221 -12.0965 TIMING: 1125200 CPU: 3555.42, 0.00316246/step Wall: 3555.42, 0.00316246/step, 3.40386 hours remaining, 233.207031 MB of memory in use. ENERGY: 1125200 4134.7039 20573.2662 14464.4583 259.7159 -203163.1452 2760.0368 0.0000 0.0000 51740.0211 -109230.9430 297.3506 -160970.9642 -108879.9581 298.8987 -142.9152 -114.9233 761378.0334 -6.7937 -6.8791 PRESSURE: 1125400 58.7562 20.0768 84.2983 20.0764 -109.605 163.862 84.2979 163.862 -266.873 GPRESSURE: 1125400 62.6365 -23.2555 193.271 159.401 -32.9524 59.9129 74.5323 67.0311 -266.898 PRESSAVG: 1125400 23.1475 12.5778 13.8891 12.5778 6.60028 -5.05733 13.8891 -5.05741 2.95956 GPRESSAVG: 1125400 22.9954 14.1357 15.1959 13.0749 6.83832 -5.90524 17.0952 -2.7019 3.11326 TIMING: 1125400 CPU: 3556.05, 0.00319322/step Wall: 3556.05, 0.00319322/step, 3.43679 hours remaining, 233.207031 MB of memory in use. ENERGY: 1125400 4036.8746 20486.9293 14480.0141 250.4402 -203697.2071 2988.5101 0.0000 0.0000 52158.9132 -109295.5255 299.7580 -161454.4387 -108937.7286 299.8245 -105.9072 -79.0713 762687.9250 10.9025 10.9823 PRESSURE: 1125600 -108.011 -155.886 -20.2639 -155.885 -451.298 -8.12688 -20.2642 -8.12645 96.0063 GPRESSURE: 1125600 -68.3838 -196.916 -86.8162 -95.4023 -334.851 -13.3738 13.7363 -109.19 16.6114 PRESSAVG: 1125600 46.4885 16.5395 -13.9833 16.5395 -16.0988 8.3843 -13.9833 8.38428 6.3396 GPRESSAVG: 1125600 46.4353 16.8764 -15.03 16.2749 -15.7619 10.0813 -15.3413 5.47147 6.26502 TIMING: 1125600 CPU: 3556.69, 0.00319406/step Wall: 3556.69, 0.00319406/step, 3.43752 hours remaining, 233.207031 MB of memory in use. ENERGY: 1125600 4046.9948 20536.2732 14553.6549 248.1482 -203187.6839 2522.6640 0.0000 0.0000 52324.9567 -108954.9921 300.7122 -161279.9488 -108592.0418 299.8786 -154.4344 -128.8744 762374.1216 12.2431 12.3128 PRESSURE: 1125800 -225.228 24.0631 -223.441 24.0627 136.203 55.8804 -223.441 55.8802 -379.286 GPRESSURE: 1125800 -191.732 44.6469 -237.739 30.5443 171.09 159.713 -263.585 130.503 -342.842 PRESSAVG: 1125800 4.99774 -21.5375 12.7889 -21.5375 -20.1257 -29.0698 12.7889 -29.0699 1.5278 GPRESSAVG: 1125800 5.73665 -20.7009 14.7547 -22.1761 -20.8575 -29.7265 11.5427 -27.2108 1.23837 TIMING: 1125800 CPU: 3557.32, 0.00315949/step Wall: 3557.32, 0.00315948/step, 3.40013 hours remaining, 233.207031 MB of memory in use. ENERGY: 1125800 4035.7288 20569.5917 14508.3946 256.3413 -203055.0922 2521.2802 0.0000 0.0000 51903.7081 -109260.0477 298.2913 -161163.7558 -108899.1702 299.8474 -156.1035 -121.1614 762620.2694 -4.5334 -4.6275 PRESSURE: 1126000 -116.996 52.1388 57.6484 52.139 239.944 6.74988 57.6481 6.75055 -272.209 GPRESSURE: 1126000 -38.7092 72.9313 59.5905 8.06972 159.506 19.6079 18.6529 -87.6873 -190.239 PRESSAVG: 1126000 10.9009 -32.7054 -13.7234 -32.7054 -6.2511 7.20556 -13.7235 7.20554 -3.22275 GPRESSAVG: 1126000 10.567 -34.1026 -16.3861 -33.3039 -7.12071 6.68358 -11.8376 8.07485 -2.12108 TIMING: 1126000 CPU: 3557.96, 0.00316796/step Wall: 3557.96, 0.00316797/step, 3.40908 hours remaining, 233.207031 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: 1126000 4090.6024 20515.7147 14588.7055 244.2876 -203566.3220 2835.0843 0.0000 0.0000 52104.2478 -109187.6799 299.4438 -161291.9277 -108829.3178 299.7006 -49.7539 -23.1474 761862.5461 0.4757 0.4417 PRESSURE: 1126200 156.495 -23.3658 -3.39587 -23.3666 64.2095 188.016 -3.39602 188.016 -223.167 GPRESSURE: 1126200 120.851 -58.6092 51.0966 -98.1495 167.978 197.573 -92.098 104.151 -208.927 PRESSAVG: 1126200 -2.64247 -26.364 -1.59911 -26.364 11.4929 37.2648 -1.59903 37.2649 1.41773 GPRESSAVG: 1126200 -2.63283 -25.9243 -1.12042 -25.5292 11.7465 36.547 -2.09848 36.5788 0.744117 TIMING: 1126200 CPU: 3558.59, 0.00314742/step Wall: 3558.59, 0.00314742/step, 3.3868 hours remaining, 233.207031 MB of memory in use. ENERGY: 1126200 4019.8956 20448.9775 14427.3605 267.9682 -203459.4330 2725.0530 0.0000 0.0000 52273.8244 -109296.3537 300.4184 -161570.1781 -108932.9945 299.7707 -0.8207 26.6338 761488.0781 3.4227 3.2859 PRESSURE: 1126400 355.505 -3.58989 -81.3637 -3.59063 47.4598 104.053 -81.3641 104.052 448.881 GPRESSURE: 1126400 389.648 11.3938 -55.7189 -46.1215 38.9532 57.8814 -116.73 140.937 501.11 PRESSAVG: 1126400 -13.2429 -46.7724 22.9304 -46.7724 21.4789 9.88461 22.9303 9.88453 -20.9197 GPRESSAVG: 1126400 -13.3378 -46.9972 24.2328 -47.451 22.2635 11.2165 22.7382 9.28093 -21.4764 TIMING: 1126400 CPU: 3559.22, 0.00317433/step Wall: 3559.22, 0.00317433/step, 3.41557 hours remaining, 233.207031 MB of memory in use. ENERGY: 1126400 4048.2530 20618.2589 14474.4325 241.8907 -203573.0983 2845.1721 0.0000 0.0000 51996.6754 -109348.4156 298.8256 -161345.0911 -108991.7658 299.4190 283.9484 309.9037 761916.9337 -4.2279 -4.1836 PRESSURE: 1126600 -106.975 -24.249 356.864 -24.2486 -175.476 3.25552 356.864 3.25583 152.78 GPRESSURE: 1126600 -127.287 -22.6714 364.389 10.2511 -68.9607 30.025 381.8 15.9501 145.589 PRESSAVG: 1126600 5.85093 -35.6278 14.0657 -35.6278 -34.2007 36.6946 14.0657 36.6945 10.0424 GPRESSAVG: 1126600 5.35215 -36.2478 13.8168 -33.6434 -34.9467 37.0641 16.2415 38.0911 10.6801 TIMING: 1126600 CPU: 3559.86, 0.00316879/step Wall: 3559.86, 0.00316879/step, 3.40944 hours remaining, 233.207031 MB of memory in use. ENERGY: 1126600 3956.8009 20319.6942 14423.5377 258.5476 -203034.9072 2523.9340 0.0000 0.0000 52094.7657 -109457.6271 299.3893 -161552.3928 -109087.2296 299.0470 -43.2236 -16.8863 761184.8652 -6.1025 -6.3048 PRESSURE: 1126800 -44.2325 71.929 247.743 71.9285 -147.524 20.0101 247.744 20.0097 79.6493 GPRESSURE: 1126800 11.4783 71.3915 219.033 64.4409 -123.663 38.2839 116.622 39.6107 90.2085 PRESSAVG: 1126800 2.25683 -17.4007 63.04 -17.4008 33.8412 -23.2422 63.04 -23.2422 9.25032 GPRESSAVG: 1126800 2.08082 -17.3433 61.7697 -18.3057 33.663 -21.8559 62.4202 -24.2615 9.52487 TIMING: 1126800 CPU: 3560.49, 0.00316648/step Wall: 3560.49, 0.00316648/step, 3.40678 hours remaining, 233.207031 MB of memory in use. ENERGY: 1126800 4020.5247 20559.2532 14465.2806 241.7216 -203527.1780 2678.0365 0.0000 0.0000 52133.1836 -109429.1781 299.6101 -161562.3616 -109063.5596 299.0891 -37.3690 -7.3254 762025.7912 15.1161 15.0896 PRESSURE: 1127000 9.34666 90.5877 -30.8942 90.5884 220.718 123.151 -30.8946 123.15 -258.703 GPRESSURE: 1127000 44.9726 213.564 -116.114 49.0557 232.164 112.008 -85.838 65.0583 -229.097 PRESSAVG: 1127000 -37.9241 -1.33167 -10.3806 -1.3317 -13.6244 10.6251 -10.3806 10.6251 5.87041 GPRESSAVG: 1127000 -37.7034 -1.37245 -10.2733 -2.69847 -12.8488 10.1039 -13.7632 9.6703 5.55548 TIMING: 1127000 CPU: 3561.12, 0.00315021/step Wall: 3561.12, 0.00315021/step, 3.3891 hours remaining, 233.207031 MB of memory in use. ENERGY: 1127000 3926.9681 20423.2568 14377.5653 248.2243 -203007.8129 2469.9229 0.0000 0.0000 52057.0421 -109504.8333 299.1725 -161561.8754 -109140.0899 299.0301 -9.5460 16.0134 761833.2337 -15.2260 -14.9989 PRESSURE: 1127200 -103.823 -95.8122 93.9106 -95.8125 67.7961 85.738 93.9107 85.7387 -379.601 GPRESSURE: 1127200 -72.2871 -136.515 107.069 -75.6673 80.8928 54.5618 109.908 62.156 -351.788 PRESSAVG: 1127200 26.0361 25.5137 -19.1994 25.5137 -44.6516 33.1667 -19.1993 33.1667 -1.98642 GPRESSAVG: 1127200 26.3345 26.7115 -19.6472 27.1308 -43.6428 33.1517 -16.2123 35.0459 -3.18458 TIMING: 1127200 CPU: 3561.75, 0.00315676/step Wall: 3561.75, 0.00315676/step, 3.39597 hours remaining, 233.207031 MB of memory in use. ENERGY: 1127200 3983.9781 20619.4088 14493.3724 252.7254 -203593.1273 2728.7736 0.0000 0.0000 52183.3711 -109331.4977 299.8986 -161514.8689 -108967.0669 298.5932 -138.5425 -114.3941 762806.5248 -6.8673 -6.8310 PRESSURE: 1127400 60.1986 282.122 -152.517 282.123 -154.248 -127.676 -152.518 -127.677 39.2625 GPRESSURE: 1127400 97.7431 138.689 -69.4112 259.317 -106.972 -100.273 -93.3652 -192.077 40.5477 PRESSAVG: 1127400 -12.9648 -8.18602 11.9209 -8.18596 9.56282 50.8158 11.9208 50.8158 -5.80536 GPRESSAVG: 1127400 -11.6945 -9.26389 14.3232 -9.16353 7.59842 50.6218 11.0692 49.8081 -4.4595 TIMING: 1127400 CPU: 3562.38, 0.0031423/step Wall: 3562.38, 0.0031423/step, 3.38024 hours remaining, 233.207031 MB of memory in use. ENERGY: 1127400 3904.4742 20579.4006 14523.5081 265.1018 -203221.0952 2583.1146 0.0000 0.0000 52189.6173 -109175.8785 299.9344 -161365.4958 -108808.4150 299.6997 -18.2625 10.4396 763624.6440 -3.0691 -2.8519 PRESSURE: 1127600 -166.15 -4.60517 -7.29301 -4.60507 -312.511 113.564 -7.29323 113.564 -218.863 GPRESSURE: 1127600 -78.4398 23.4761 14.8173 -4.49903 -285.143 42.5607 -97.0252 293.964 -261.152 PRESSAVG: 1127600 -5.27825 7.26552 -20.084 7.26552 -4.9646 37.3254 -20.084 37.3254 -19.9112 GPRESSAVG: 1127600 -5.27008 5.35505 -22.6859 10.7437 -3.80569 37.2237 -19.3157 37.8955 -20.8924 TIMING: 1127600 CPU: 3563.01, 0.00317746/step Wall: 3563.01, 0.00317746/step, 3.41788 hours remaining, 233.207031 MB of memory in use. ENERGY: 1127600 4024.9114 20483.1474 14465.9448 254.4401 -202896.3334 2292.8347 0.0000 0.0000 52049.3511 -109325.7040 299.1283 -161375.0551 -108963.8135 299.5603 -232.5080 -208.2449 761635.5598 -10.0514 -9.9894 PRESSURE: 1127800 174.114 -146.437 -30.1913 -146.438 -145.319 153.035 -30.1914 153.035 -121.288 GPRESSURE: 1127800 162.12 -76.1273 -46.2912 -144.333 -105.729 128.846 -37.9745 -30.5347 -59.2977 PRESSAVG: 1127800 7.68747 18.187 -45.6064 18.187 -13.2035 4.69831 -45.6064 4.69826 6.45713 GPRESSAVG: 1127800 6.91218 18.8596 -44.1699 14.9564 -12.4979 3.26015 -47.984 5.7415 6.34935 TIMING: 1127800 CPU: 3563.65, 0.00315396/step Wall: 3563.65, 0.00315396/step, 3.39244 hours remaining, 233.207031 MB of memory in use. ENERGY: 1127800 4016.2681 20518.4555 14471.9513 240.4422 -203246.3835 2766.7170 0.0000 0.0000 51861.5391 -109371.0102 298.0490 -161232.5493 -109009.3136 299.4405 -30.8312 -0.9690 762780.6747 0.3137 0.2545 PRESSURE: 1128000 -225.352 -275.546 -161.276 -275.545 86.1297 -67.6454 -161.276 -67.6465 -222.427 GPRESSURE: 1128000 -248.784 -278.093 -138.004 -164.074 182.686 -36.8285 -108.118 -165.786 -211.872 PRESSAVG: 1128000 11.1148 -18.4762 -47.3451 -18.4761 -19.0204 -46.8414 -47.3451 -46.8414 6.67863 GPRESSAVG: 1128000 10.3317 -18.0184 -48.6669 -16.4687 -18.5513 -46.3665 -44.8253 -48.2501 7.38372 TIMING: 1128000 CPU: 3564.28, 0.0031637/step Wall: 3564.28, 0.0031637/step, 3.40273 hours remaining, 233.207031 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: 1128000 4020.1079 20267.9102 14479.9075 251.3120 -203255.2477 2662.8626 0.0000 0.0000 52091.1102 -109482.0373 299.3683 -161573.1475 -109104.8623 298.8506 -120.5499 -92.6570 762745.5246 -0.4090 -0.2786 PRESSURE: 1128200 -292.41 -144.969 9.72221 -144.968 -151.964 -133.267 9.72257 -133.267 61.1294 GPRESSURE: 1128200 -183.078 -133.188 -53.0138 -152.454 -171.342 -115.403 -5.41149 -48.3318 51.315 PRESSAVG: 1128200 10.3447 -20.0003 -1.06112 -20.0003 19.6617 -62.287 -1.06113 -62.2871 14.0164 GPRESSAVG: 1128200 11.0344 -19.2539 0.619465 -21.9575 18.3656 -61.9327 -1.19242 -60.4228 14.8341 TIMING: 1128200 CPU: 3564.91, 0.00316876/step Wall: 3564.91, 0.00316876/step, 3.40801 hours remaining, 233.207031 MB of memory in use. ENERGY: 1128200 3949.8950 20334.3296 14586.4615 257.9972 -203136.3693 2542.2245 0.0000 0.0000 51875.9447 -109589.5168 298.1318 -161465.4615 -109218.8350 298.5410 -127.7482 -101.0352 762780.3242 14.6743 14.7447 LDB: ============= START OF LOAD BALANCING ============== 3577.44 LDB: ============== END OF LOAD BALANCING =============== 3577.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3577.45 LDB: ============= START OF LOAD BALANCING ============== 3577.76 LDB: Largest compute 7042 load 0.030387 is 15.6% of average load 0.195401 LDB: Average compute 0.004380 is 2.2% of average load 0.195401 LDB: TIME 3577.77 LOAD: AVG 0.195401 MAX 0.215136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.648 MB LDB: TIME 3577.77 LOAD: AVG 0.195401 MAX 0.215136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.648 MB LDB: TIME 3577.77 LOAD: AVG 0.195401 MAX 0.215136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.648 MB LDB: ============== END OF LOAD BALANCING =============== 3577.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3577.78 PRESSURE: 1128400 45.1734 -19.2169 -15.4012 -19.2178 -297.857 137.168 -15.4011 137.167 127.34 GPRESSURE: 1128400 -40.2396 68.278 -127.054 -78.9309 -211.459 93.9021 58.1083 -12.5816 207.582 PRESSAVG: 1128400 51.3552 -20.8432 36.0433 -20.8433 -27.2808 -10.8048 36.0433 -10.8049 -8.92701 GPRESSAVG: 1128400 51.4602 -19.1865 35.5549 -20.8135 -26.9084 -10.8712 34.9021 -13.4656 -9.3985 TIMING: 1128400 CPU: 3565.56, 0.00323342/step Wall: 3565.56, 0.00323341/step, 3.47736 hours remaining, 234.480469 MB of memory in use. ENERGY: 1128400 3965.6487 20335.3929 14499.4099 258.1817 -202793.4686 2433.7040 0.0000 0.0000 51770.7232 -109530.4082 297.5271 -161301.1315 -109168.1952 298.1816 -41.7811 -14.7054 762930.3854 5.0491 5.0511 PRESSURE: 1128600 -14.9289 103.719 -160.904 103.718 -79.543 -93.196 -160.904 -93.1962 -294.291 GPRESSURE: 1128600 10.8663 -17.2725 -209.54 69.9312 24.7692 -93.5796 -174.006 -17.0658 -338.554 PRESSAVG: 1128600 22.6277 -15.3968 -31.0027 -15.3968 -7.35079 -51.0563 -31.0027 -51.0563 -0.299205 GPRESSAVG: 1128600 22.4608 -16.1116 -30.8282 -14.4458 -7.20495 -51.3331 -30.9798 -49.1567 -0.742813 TIMING: 1128600 CPU: 3566.19, 0.00317703/step Wall: 3566.19, 0.00317703/step, 3.41654 hours remaining, 234.480469 MB of memory in use. ENERGY: 1128600 3968.9558 20323.9823 14452.9759 236.6672 -202900.2025 2519.0622 0.0000 0.0000 52092.9329 -109305.6262 299.3788 -161398.5591 -108941.3895 298.3445 -129.5877 -100.9729 762077.8684 4.9926 4.8377 PRESSURE: 1128800 -73.3798 124.613 96.6624 124.612 -550.306 49.9919 96.6625 49.9926 -381.824 GPRESSURE: 1128800 -47.8872 76.395 84.6661 42.896 -504.846 -15.2061 206.735 49.3322 -366.164 PRESSAVG: 1128800 1.01255 9.91092 -6.57387 9.91092 -30.8316 -56.0232 -6.5738 -56.0233 -20.8658 GPRESSAVG: 1128800 0.219558 9.8482 -6.98133 9.6418 -29.9374 -55.5278 -6.42754 -57.4069 -20.8841 TIMING: 1128800 CPU: 3566.83, 0.00315526/step Wall: 3566.83, 0.00315526/step, 3.39296 hours remaining, 234.480469 MB of memory in use. ENERGY: 1128800 3998.5800 20418.0151 14506.4484 237.4317 -203016.9837 2403.3210 0.0000 0.0000 51991.5549 -109461.6327 298.7962 -161453.1876 -109113.4320 299.2768 -335.1699 -306.2992 763359.1972 -16.8949 -16.8673 PRESSURE: 1129000 -140.537 163.969 -37.2345 163.969 31.5502 -105.942 -37.2346 -105.942 440.566 GPRESSURE: 1129000 -34.8079 215.079 -53.5781 86.8947 -18.5927 -148.527 12.1261 -46.7742 484.187 PRESSAVG: 1129000 25.2741 -16.3861 -12.9877 -16.3861 -40.327 -39.4893 -12.9878 -39.4893 5.22188 GPRESSAVG: 1129000 26.3642 -18.0661 -13.779 -15.4051 -41.7933 -39.1511 -12.1516 -37.8169 5.51482 TIMING: 1129000 CPU: 3567.46, 0.00316202/step Wall: 3567.46, 0.00316202/step, 3.40005 hours remaining, 234.480469 MB of memory in use. ENERGY: 1129000 3957.1203 20455.5247 14437.6252 276.8031 -203486.5161 2967.7972 0.0000 0.0000 52080.0239 -109311.6218 299.3046 -161391.6457 -108945.3235 298.9125 110.5264 143.5954 762771.1622 -3.2770 -3.3047 PRESSURE: 1129200 -154.494 -45.867 -98.4549 -45.8666 -277.999 244.141 -98.4554 244.14 2.75949 GPRESSURE: 1129200 -78.0175 -61.8181 -26.3731 -106.603 -285.296 170.822 -113.577 234.615 37.0095 PRESSAVG: 1129200 -4.10894 -33.6112 8.90952 -33.6111 20.5383 -20.8618 8.90951 -20.8618 -11.3898 GPRESSAVG: 1129200 -3.7912 -32.4427 12.2245 -33.3652 21.0244 -20.0746 7.63655 -22.9128 -12.0777 TIMING: 1129200 CPU: 3568.09, 0.00318449/step Wall: 3568.09, 0.00318449/step, 3.42403 hours remaining, 234.480469 MB of memory in use. ENERGY: 1129200 4015.1730 20481.0589 14417.3178 257.1674 -203151.5664 2788.7291 0.0000 0.0000 52157.4876 -109034.6326 299.7498 -161192.1202 -108675.8852 299.4467 -143.2444 -108.7679 762995.3650 1.6798 1.7185 PRESSURE: 1129400 317.473 -159.933 212.121 -159.933 -12.611 87.4957 212.121 87.4964 -228.075 GPRESSURE: 1129400 327.525 -139.591 256.3 -136.957 -21.9172 60.9165 177.095 149.699 -148.87 PRESSAVG: 1129400 -5.47225 -8.68611 -28.2854 -8.68613 20.3654 -24.8796 -28.2855 -24.8796 -9.83718 GPRESSAVG: 1129400 -4.9401 -7.91678 -28.2215 -7.9077 19.2375 -27.7761 -29.9617 -21.6439 -9.32642 TIMING: 1129400 CPU: 3568.73, 0.003158/step Wall: 3568.73, 0.003158/step, 3.39537 hours remaining, 234.480469 MB of memory in use. ENERGY: 1129400 4030.7314 20500.0156 14431.5381 237.1905 -202994.5812 2961.1201 0.0000 0.0000 51749.3421 -109084.6433 297.4042 -160833.9854 -108722.5135 299.7118 25.5955 52.2459 763385.7502 1.6853 1.6570 PRESSURE: 1129600 -389.156 65.2167 1.66934 65.2169 -255.212 434.856 1.66876 434.855 -753.661 GPRESSURE: 1129600 -325.531 120.83 39.7645 38.5065 -238.336 301.041 79.634 476.153 -742.933 PRESSAVG: 1129600 67.5339 -46.994 27.3401 -46.9941 -34.3543 -47.5186 27.3401 -47.5186 -9.20027 GPRESSAVG: 1129600 66.8963 -46.7053 24.3321 -48.3994 -34.1009 -45.9227 31.8887 -48.7092 -9.01732 TIMING: 1129600 CPU: 3569.36, 0.00316063/step Wall: 3569.36, 0.00316063/step, 3.39803 hours remaining, 234.480469 MB of memory in use. ENERGY: 1129600 4003.6258 20597.6590 14457.1059 247.4708 -202905.2191 2365.6070 0.0000 0.0000 51809.6370 -109424.1135 297.7507 -161233.7505 -109065.6621 299.5155 -466.0100 -435.6001 763836.8821 7.9931 7.9260 PRESSURE: 1129800 109.907 22.9234 105.777 22.9226 -104.091 -377.046 105.777 -377.046 394.242 GPRESSURE: 1129800 69.1942 -103.582 80.0476 -110.692 -25.1005 -369.806 190.191 -331.549 429.854 PRESSAVG: 1129800 -13.8756 -26.0859 10.0424 -26.0858 -49.0357 -27.6413 10.0423 -27.6412 0.449933 GPRESSAVG: 1129800 -14.8154 -27.1785 9.25895 -26.1798 -47.7672 -28.0284 8.85535 -28.556 0.349874 TIMING: 1129800 CPU: 3569.99, 0.00318122/step Wall: 3569.99, 0.00318122/step, 3.41999 hours remaining, 234.480469 MB of memory in use. ENERGY: 1129800 3941.4943 20506.6451 14501.1802 255.5390 -203349.1171 2744.3845 0.0000 0.0000 51866.7077 -109533.1664 298.0787 -161399.8741 -109169.2691 298.3908 133.3528 157.9826 762359.8876 -20.8205 -20.7442 PRESSURE: 1130000 88.7531 33.0805 -247.283 33.081 -108.355 92.7587 -247.282 92.7585 -0.424164 GPRESSURE: 1130000 76.429 5.48323 -110.181 -60.2567 -69.0687 39.8465 -177.879 -16.3918 68.7881 PRESSAVG: 1130000 32.7701 -8.47506 4.31955 -8.47504 -30.1104 19.8163 4.31957 19.8164 28.7613 GPRESSAVG: 1130000 33.9527 -7.06309 6.5314 -7.17882 -31.8296 19.485 3.66091 21.3896 29.3397 TIMING: 1130000 CPU: 3570.63, 0.00315618/step Wall: 3570.63, 0.00315618/step, 3.3929 hours remaining, 234.480469 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: 1130000 4018.0440 20434.3066 14468.6971 252.0576 -203346.7817 2852.2276 0.0000 0.0000 51743.4252 -109578.0236 297.3702 -161321.4488 -109223.1906 298.6934 -6.6752 25.3828 762671.9956 10.4737 10.4876 PRESSURE: 1130200 336.26 -152.606 91.9903 -152.605 -43.8806 182.386 91.9904 182.385 67.0207 GPRESSURE: 1130200 335.45 -165.086 150.608 -112.874 50.6329 124.239 35.5759 249.243 64.6424 PRESSAVG: 1130200 51.71 -24.9229 -22.138 -24.9229 -53.9564 -14.9866 -22.138 -14.9866 -9.90124 GPRESSAVG: 1130200 51.99 -25.0769 -20.8525 -25.4482 -52.7299 -13.9608 -21.9992 -14.9436 -11.78 TIMING: 1130200 CPU: 3571.26, 0.003172/step Wall: 3571.26, 0.003172/step, 3.40973 hours remaining, 234.480469 MB of memory in use. ENERGY: 1130200 3947.5658 20363.7629 14422.8705 240.7396 -203421.4434 2901.0902 0.0000 0.0000 51979.1919 -109566.2225 298.7251 -161545.4144 -109198.1184 298.3652 119.8001 150.2417 761439.4707 -4.0492 -4.1733 PRESSURE: 1130400 78.6947 -100.545 23.9491 -100.544 -217.255 -14.3766 23.9498 -14.3776 293.711 GPRESSURE: 1130400 128.052 -83.631 -19.4595 -95.7064 -114.89 -28.2994 -24.3062 -34.0586 217.299 PRESSAVG: 1130400 46.899 -5.36939 80.901 -5.36937 -26.5916 -15.1624 80.901 -15.1624 -1.38989 GPRESSAVG: 1130400 45.3274 -6.55422 80.9189 -5.33373 -26.972 -15.847 80.0592 -17.357 0.701568 TIMING: 1130400 CPU: 3571.89, 0.00316993/step Wall: 3571.89, 0.00316993/step, 3.40733 hours remaining, 234.480469 MB of memory in use. ENERGY: 1130400 3946.4132 20383.1228 14434.7763 260.8950 -203399.5712 2713.4252 0.0000 0.0000 52215.6610 -109445.2777 300.0841 -161660.9387 -109087.1258 298.6517 51.7168 76.8206 762032.7405 6.3059 6.3523 PRESSURE: 1130600 105.431 -0.00489339 -41.2748 -0.00497877 311.333 -405.952 -41.2745 -405.951 293.399 GPRESSURE: 1130600 245.182 -125.128 -70.4784 -53.1693 288.202 -382.432 24.32 -434.208 267.397 PRESSAVG: 1130600 34.8718 -29.5388 -22.4541 -29.5387 -12.0513 -33.603 -22.4541 -33.603 10.1242 GPRESSAVG: 1130600 36.2795 -29.7218 -25.6862 -30.0612 -11.5967 -33.3696 -22.3592 -34.5993 8.9435 TIMING: 1130600 CPU: 3572.53, 0.00316381/step Wall: 3572.53, 0.00316381/step, 3.40056 hours remaining, 234.480469 MB of memory in use. ENERGY: 1130600 3912.7265 20683.9918 14397.6840 268.6017 -203973.2305 3074.9366 0.0000 0.0000 51982.1503 -109653.1396 298.7421 -161635.2899 -109304.1329 298.7419 236.7210 266.9270 760266.3513 10.9816 11.2088 PRESSURE: 1130800 -262.483 95.0324 11.0881 95.0319 -58.4445 17.366 11.0888 17.3656 -57.4775 GPRESSURE: 1130800 -138.728 104.86 -27.0085 26.7006 -46.8312 146.171 123.158 77.1503 -111.112 PRESSAVG: 1130800 79.4907 -15.7816 4.26488 -15.7816 -68.2466 -48.5053 4.26487 -48.5053 -6.51402 GPRESSAVG: 1130800 79.9192 -14.1663 6.85299 -17.6932 -69.6798 -48.2255 3.25549 -47.6426 -5.24695 TIMING: 1130800 CPU: 3573.16, 0.00317868/step Wall: 3573.16, 0.00317868/step, 3.41638 hours remaining, 234.480469 MB of memory in use. ENERGY: 1130800 4013.8046 20512.3234 14433.2414 251.0434 -203291.9400 2650.1616 0.0000 0.0000 51998.2436 -109433.1220 298.8346 -161431.3656 -109069.1496 299.2333 -126.1348 -98.8905 762269.1200 1.5767 1.6642 PRESSURE: 1131000 -71.8527 18.3718 3.10466 18.3722 -159.659 -244.173 3.10453 -244.172 -48.0334 GPRESSURE: 1131000 8.45627 -27.1033 77.2095 -49.1051 -124.3 -174.979 -70.2689 -179.209 -65.9368 PRESSAVG: 1131000 6.6311 0.611373 14.0711 0.611459 -27.4124 -85.6702 14.0711 -85.6701 -7.80215 GPRESSAVG: 1131000 5.6065 -0.183721 13.5022 0.448016 -25.7679 -86.6309 13.8212 -86.3401 -8.28357 TIMING: 1131000 CPU: 3573.8, 0.00318146/step Wall: 3573.8, 0.00318146/step, 3.41918 hours remaining, 234.480469 MB of memory in use. ENERGY: 1131000 3908.0521 20532.2348 14461.1583 247.8401 -203732.2380 2893.2752 0.0000 0.0000 52179.1172 -109510.5604 299.8741 -161689.6776 -109150.0067 299.1428 -93.1817 -60.5935 761104.4043 -9.5278 -9.4817 PRESSURE: 1131200 -231.856 -110.274 -89.9796 -110.274 43.6205 -224.179 -89.9796 -224.178 362.404 GPRESSURE: 1131200 -176.345 -22.8897 -115.359 -88.1444 100.47 -195.668 -29.62 -146.153 344.981 PRESSAVG: 1131200 -11.3004 31.9963 29.0377 31.9963 -26.9045 39.7252 29.0377 39.7253 -4.86614 GPRESSAVG: 1131200 -11.4041 32.1871 29.1049 33.5286 -27.0556 41.5617 29.2399 41.4531 -3.72903 TIMING: 1131200 CPU: 3574.43, 0.00316016/step Wall: 3574.43, 0.00316016/step, 3.39612 hours remaining, 234.480469 MB of memory in use. ENERGY: 1131200 3976.0576 20522.3101 14412.4087 235.8904 -202817.9491 2294.6185 0.0000 0.0000 51894.3478 -109482.3159 298.2375 -161376.6637 -109111.8374 298.9878 58.0561 89.7020 761826.2363 -14.3570 -14.0629 PRESSURE: 1131400 -11.3913 -79.5214 100.696 -79.5212 -205.605 30.3566 100.696 30.3573 657.87 GPRESSURE: 1131400 45.7124 0.145467 81.8069 -65.2743 -147.908 12.4945 131.272 -63.2469 630.094 PRESSAVG: 1131400 92.7265 -14.0667 -6.25934 -14.0666 -45.8599 -37.8781 -6.2593 -37.8782 9.44329 GPRESSAVG: 1131400 93.4977 -13.0235 -7.4071 -12.9977 -45.5471 -39.3287 -4.11912 -38.2727 7.68759 TIMING: 1131400 CPU: 3575.06, 0.00316505/step Wall: 3575.06, 0.00316505/step, 3.4012 hours remaining, 234.480469 MB of memory in use. ENERGY: 1131400 3958.8585 20363.3036 14423.2768 252.0874 -203470.5195 2831.6382 0.0000 0.0000 52213.5576 -109427.7974 300.0720 -161641.3549 -109067.1885 298.8889 146.9579 175.9661 760079.5201 18.7699 18.5461 PRESSURE: 1131600 93.0853 129.398 -11.4066 129.399 335.444 -76.1521 -11.4059 -76.1523 -204.296 GPRESSURE: 1131600 189.049 97.2532 -96.3425 177.968 365.613 -66.8844 -113.098 -90.7039 -241.213 PRESSAVG: 1131600 29.3465 -4.67053 -1.01656 -4.67047 -40.3418 -16.1861 -1.01662 -16.186 1.4667 GPRESSAVG: 1131600 28.4594 -8.28488 -0.574788 -6.12997 -41.2029 -16.5136 -2.43882 -16.0658 3.0536 TIMING: 1131600 CPU: 3575.7, 0.00316453/step Wall: 3575.7, 0.00316454/step, 3.40047 hours remaining, 234.480469 MB of memory in use. ENERGY: 1131600 4002.5424 20371.0957 14449.4973 251.4503 -203446.8021 2983.0338 0.0000 0.0000 52047.8394 -109341.3431 299.1196 -161389.1825 -108973.8483 299.1681 74.7444 104.4834 760973.6187 -3.1762 -3.2300 PRESSURE: 1131800 -10.4654 -269.207 -40.0028 -269.207 -159.498 -43.3033 -40.0034 -43.3022 -305.168 GPRESSURE: 1131800 -28.7216 -204.132 -13.2512 -124.789 -106.658 -114.133 -31.487 -11.1711 -267.372 PRESSAVG: 1131800 -49.7482 18.8849 -10.7593 18.8849 45.2673 -66.3086 -10.7593 -66.3085 -2.72282 GPRESSAVG: 1131800 -49.9989 20.4303 -10.2752 20.3711 45.6662 -66.6409 -11.4468 -65.0549 -3.61581 TIMING: 1131800 CPU: 3576.33, 0.0031706/step Wall: 3576.33, 0.0031706/step, 3.40681 hours remaining, 234.480469 MB of memory in use. ENERGY: 1131800 3951.1499 20442.8965 14557.6863 236.9373 -202998.5335 2424.4028 0.0000 0.0000 52020.5232 -109364.9377 298.9627 -161385.4608 -108997.5721 298.8078 -158.3774 -134.2504 762279.9528 -2.4012 -2.6495 PRESSURE: 1132000 26.0308 32.9364 10.1354 32.9367 179.487 143.95 10.1364 143.951 13.6584 GPRESSURE: 1132000 107.752 88.7494 66.2801 79.7198 113.817 158.757 -63.9335 5.82754 66.6605 PRESSAVG: 1132000 9.44491 -19.5135 36.728 -19.5135 -27.3747 13.7191 36.728 13.7191 7.30478 GPRESSAVG: 1132000 9.45784 -20.3225 35.9577 -20.7958 -27.4107 15.9267 39.1446 11.5056 7.31495 TIMING: 1132000 CPU: 3576.96, 0.00315607/step Wall: 3576.96, 0.00315607/step, 3.39102 hours remaining, 234.480469 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: 1132000 4012.8944 20569.6903 14494.5038 245.0286 -203659.9241 2900.2968 0.0000 0.0000 52099.9493 -109337.5609 299.4191 -161437.5102 -108971.7192 299.1289 73.0587 96.0764 760318.1232 -3.5417 -3.5460 PRESSURE: 1132200 -147.532 -18.6763 -244.299 -18.6767 215.959 83.451 -244.3 83.4506 -172.157 GPRESSURE: 1132200 -169.452 -102.992 -234.41 -131.766 235.804 117.22 -219.574 67.6447 -101.521 PRESSAVG: 1132200 -4.46255 10.2273 14.3963 10.2272 63.7889 -32.4479 14.3963 -32.4478 -2.01457 GPRESSAVG: 1132200 -3.43427 11.8473 15.0682 12.1576 63.7367 -33.96 13.0079 -33.8951 -2.31386 TIMING: 1132200 CPU: 3577.59, 0.00314168/step Wall: 3577.59, 0.00314168/step, 3.37539 hours remaining, 234.480469 MB of memory in use. ENERGY: 1132200 3916.8992 20400.8068 14415.5916 268.4301 -203201.3021 2453.5646 0.0000 0.0000 52132.1528 -109613.8571 299.6042 -161746.0099 -109254.5715 298.5307 -34.5767 -11.7230 760972.0004 19.1039 19.3295 LDB: ============= START OF LOAD BALANCING ============== 3590.12 LDB: ============== END OF LOAD BALANCING =============== 3590.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3590.12 LDB: ============= START OF LOAD BALANCING ============== 3590.44 LDB: Largest compute 7042 load 0.032388 is 16.6% of average load 0.195193 LDB: Average compute 0.004389 is 2.2% of average load 0.195193 LDB: TIME 3590.44 LOAD: AVG 0.195193 MAX 0.216034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.367 MB LDB: TIME 3590.44 LOAD: AVG 0.195193 MAX 0.216034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.371 MB LDB: TIME 3590.44 LOAD: AVG 0.195193 MAX 0.216034 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.371 MB LDB: ============== END OF LOAD BALANCING =============== 3590.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3590.45 PRESSURE: 1132400 172.598 101.047 -166.584 101.047 -163.446 56.9537 -166.584 56.9537 -143.384 GPRESSURE: 1132400 197.717 -31.12 -175.992 95.5026 -124.949 84.7167 -103.347 88.7509 -139.006 PRESSAVG: 1132400 -57.0739 -9.01453 -77.4149 -9.01453 2.62091 -43.4881 -77.4149 -43.4882 18.2571 GPRESSAVG: 1132400 -58.0501 -11.5816 -78.1002 -9.0223 2.84383 -44.4913 -76.4038 -40.8319 19.3479 TIMING: 1132400 CPU: 3578.23, 0.00321951/step Wall: 3578.23, 0.00321951/step, 3.45882 hours remaining, 233.648438 MB of memory in use. ENERGY: 1132400 3931.8083 20430.7329 14497.7854 256.1004 -203505.0907 3060.1657 0.0000 0.0000 51660.2604 -109668.2376 296.8922 -161328.4980 -109314.9844 298.3546 -44.7441 -22.0790 761768.1799 -12.0653 -11.9528 PRESSURE: 1132600 29.4875 -242.275 -164.944 -242.276 -11.9978 -207.544 -164.944 -207.544 231.391 GPRESSURE: 1132600 90.0378 -351.105 -187.453 -230.71 35.8048 -131.316 -114.378 -213.907 212.278 PRESSAVG: 1132600 12.8771 -22.9925 -53.6889 -22.9925 21.3641 -38.3903 -53.6889 -38.3903 10.5406 GPRESSAVG: 1132600 13.4286 -21.0062 -53.6695 -23.5045 21.6174 -36.6732 -54.5291 -39.0265 9.05477 TIMING: 1132600 CPU: 3578.86, 0.00315157/step Wall: 3578.86, 0.00315157/step, 3.38566 hours remaining, 233.648438 MB of memory in use. ENERGY: 1132600 3933.3694 20512.4611 14474.4615 238.8853 -203020.8505 2476.6419 0.0000 0.0000 51838.9433 -109546.0880 297.9191 -161385.0313 -109186.4831 298.3266 82.9602 112.7067 763126.8985 14.9273 14.7003 PRESSURE: 1132800 124.443 -157.197 105.397 -157.196 -90.5649 19.6616 105.397 19.6627 -260.676 GPRESSURE: 1132800 78.2706 -26.016 -5.95761 -222.846 -33.6789 1.55028 75.7569 -57.5421 -175.875 PRESSAVG: 1132800 47.4755 -33.2173 -6.79157 -33.2173 10.5375 -45.7054 -6.79149 -45.7054 7.08917 GPRESSAVG: 1132800 47.0602 -33.2464 -7.02058 -33.486 9.64285 -47.7448 -7.54337 -45.893 7.93896 TIMING: 1132800 CPU: 3579.49, 0.00313374/step Wall: 3579.49, 0.00313374/step, 3.36633 hours remaining, 233.648438 MB of memory in use. ENERGY: 1132800 3904.5596 20505.6564 14476.7460 241.9487 -203212.1083 2478.1532 0.0000 0.0000 52055.1896 -109549.8549 299.1619 -161605.0445 -109187.9033 298.9659 -75.5993 -43.7613 761285.6815 21.7007 21.5473 PRESSURE: 1133000 132.339 246.95 18.66 246.951 -320.51 -15.7763 18.6597 -15.7761 -178.907 GPRESSURE: 1133000 185.741 223.986 3.7264 118.424 -318.126 -13.6861 -5.43746 -43.7913 -134.034 PRESSAVG: 1133000 12.2911 -7.94183 -19.3334 -7.94181 8.38647 -56.6351 -19.3334 -56.6351 4.63909 GPRESSAVG: 1133000 12.0345 -8.17164 -18.2763 -9.22277 9.39151 -57.2388 -18.4726 -55.2862 4.05287 TIMING: 1133000 CPU: 3580.12, 0.00314599/step Wall: 3580.12, 0.00314599/step, 3.37931 hours remaining, 233.648438 MB of memory in use. ENERGY: 1133000 3958.1248 20710.7642 14502.4417 228.5705 -203261.1928 2576.8940 0.0000 0.0000 52045.7268 -109238.6709 299.1075 -161284.3976 -108879.6498 299.6039 -122.3595 -88.8064 761199.8603 8.4389 8.4929 PRESSURE: 1133200 -46.5084 -15.7768 -41.3669 -15.7764 424.216 19.9004 -41.367 19.9011 5.69924 GPRESSURE: 1133200 20.9714 -79.9279 -46.4629 -63.2065 444.931 62.6348 -32.6574 -13.5957 2.6886 PRESSAVG: 1133200 8.84962 -84.9796 -6.52478 -84.9797 -35.6027 -5.63112 -6.52482 -5.63117 -9.30717 GPRESSAVG: 1133200 7.86529 -85.1203 -6.06589 -83.8873 -35.4162 -4.80554 -6.70414 -5.53066 -8.58683 TIMING: 1133200 CPU: 3580.75, 0.00316904/step Wall: 3580.75, 0.00316904/step, 3.4039 hours remaining, 233.648438 MB of memory in use. ENERGY: 1133200 3935.4890 20501.9783 14490.3157 241.3669 -203541.1461 2800.0048 0.0000 0.0000 52244.2404 -109327.7511 300.2484 -161571.9915 -108953.3166 299.6311 127.8024 156.1969 760639.8098 -12.0201 -12.0459 PRESSURE: 1133400 275.591 152.641 -64.2712 152.641 209.424 -96.2553 -64.2706 -96.2561 396.793 GPRESSURE: 1133400 328.367 215.668 4.58171 -31.4626 197.545 -156.426 -76.7259 -71.5956 428.524 PRESSAVG: 1133400 -50.1142 -32.8866 -38.116 -32.8867 -3.17957 -2.74903 -38.116 -2.74901 0.0772191 GPRESSAVG: 1133400 -49.7279 -31.4096 -37.6815 -33.6922 -3.92569 -3.81642 -37.7093 -2.97952 0.0765763 TIMING: 1133400 CPU: 3581.39, 0.00315595/step Wall: 3581.39, 0.00315595/step, 3.38966 hours remaining, 233.648438 MB of memory in use. ENERGY: 1133400 4019.1431 20449.8036 14466.2748 250.8496 -203501.1872 2951.7743 0.0000 0.0000 51828.3280 -109535.0137 297.8581 -161363.3418 -109171.0750 299.1388 293.9359 318.1454 760756.1111 -17.7389 -17.8590 PRESSURE: 1133600 -176.115 -222.978 17.2473 -222.977 -102.562 17.1086 17.2478 17.1085 -601.859 GPRESSURE: 1133600 -195.579 -180.812 44.1545 -264.366 -118.944 -127.595 -60.959 26.456 -488.097 PRESSAVG: 1133600 -20.7679 -60.257 -20.8336 -60.257 37.049 23.5139 -20.8336 23.5139 -4.4907 GPRESSAVG: 1133600 -19.9615 -63.0878 -21.2278 -60.6577 35.8508 23.2375 -21.8639 23.8901 -4.29689 TIMING: 1133600 CPU: 3582.02, 0.00316815/step Wall: 3582.02, 0.00316815/step, 3.40259 hours remaining, 233.648438 MB of memory in use. ENERGY: 1133600 4067.9552 20534.6416 14528.8225 257.1545 -203545.3273 2551.9376 0.0000 0.0000 52089.1924 -109515.6236 299.3573 -161604.8160 -109154.5066 298.7667 -293.5121 -267.5402 761841.4778 3.9302 3.8641 PRESSURE: 1133800 -72.2032 93.8578 79.7613 93.8583 129.414 244.82 79.761 244.82 61.1691 GPRESSURE: 1133800 -33.5876 65.3531 174.747 153.224 172.024 211.523 78.3998 226.462 61.3025 PRESSAVG: 1133800 -16.4271 -26.9926 36.1112 -26.9926 27.147 3.80696 36.1112 3.80694 13.0153 GPRESSAVG: 1133800 -17.9697 -27.3463 35.9721 -26.8555 28.8868 5.39616 38.4452 2.92211 13.5194 TIMING: 1133800 CPU: 3582.65, 0.00316408/step Wall: 3582.65, 0.00316408/step, 3.39805 hours remaining, 233.648438 MB of memory in use. ENERGY: 1133800 4047.0676 20542.1393 14485.8465 245.4047 -203770.3761 2903.2737 0.0000 0.0000 52254.9794 -109291.6650 300.3101 -161546.6444 -108926.0086 299.5596 39.4601 66.5796 761220.8387 7.9118 8.1455 PRESSURE: 1134000 -190.633 -163.153 346.864 -163.154 -177.497 144.765 346.864 144.766 -110.412 GPRESSURE: 1134000 -156.618 -49.0213 351.606 -175.435 -144.61 168.366 172.435 121.06 -85.9816 PRESSAVG: 1134000 -29.5579 -42.2687 73.0158 -42.2687 6.27889 9.06615 73.0157 9.06605 0.700637 GPRESSAVG: 1134000 -27.075 -39.2323 73.1085 -42.4404 4.51359 8.16363 69.2203 7.6494 0.400567 TIMING: 1134000 CPU: 3583.29, 0.0031647/step Wall: 3583.29, 0.0031647/step, 3.39853 hours remaining, 233.648438 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: 1134000 3942.0980 20416.1400 14482.6074 238.1006 -203126.2201 2453.6721 0.0000 0.0000 52115.2559 -109478.3461 299.5071 -161593.6020 -109110.6548 299.5781 -159.5142 -129.0700 762481.9445 -7.5261 -7.3869 PRESSURE: 1134200 421.115 93.3619 58.7693 93.362 203.77 -212.926 58.7689 -212.927 102.505 GPRESSURE: 1134200 420.285 123.995 27.3781 18.7017 324.662 -164.084 110.119 -256.902 67.4822 PRESSAVG: 1134200 -35.7118 -42.3572 -36.5258 -42.3573 33.199 21.421 -36.5258 21.421 17.5195 GPRESSAVG: 1134200 -38.9434 -45.0096 -37.4469 -42.8194 35.8838 22.1242 -34.7382 22.3589 17.9403 TIMING: 1134200 CPU: 3583.92, 0.00315424/step Wall: 3583.92, 0.00315424/step, 3.38713 hours remaining, 233.648438 MB of memory in use. ENERGY: 1134200 3925.5232 20607.0701 14558.3387 253.4213 -203451.3482 2712.4826 0.0000 0.0000 51847.5106 -109547.0018 297.9684 -161394.5123 -109184.4591 299.3002 242.4632 270.8097 761345.1847 5.0022 4.9602 PRESSURE: 1134400 -438.306 98.1567 -70.9846 98.157 -276.147 -174.638 -70.9839 -174.639 33.6532 GPRESSURE: 1134400 -463.112 170.868 12.0334 71.7362 -200.64 -144.372 -145.089 -191.349 77.5979 PRESSAVG: 1134400 -45.2336 -4.08475 -7.99022 -4.08477 43.3413 40.2037 -7.99022 40.2036 6.94343 GPRESSAVG: 1134400 -44.9484 -2.46793 -8.90022 -3.87154 43.2859 39.7906 -7.26058 41.812 7.2185 TIMING: 1134400 CPU: 3584.55, 0.00315984/step Wall: 3584.55, 0.00315984/step, 3.39297 hours remaining, 233.648438 MB of memory in use. ENERGY: 1134400 4019.9384 20530.4582 14500.2722 264.8482 -203298.6711 2464.1882 0.0000 0.0000 51865.0075 -109653.9586 298.0689 -161518.9661 -109288.8869 298.7484 -226.9333 -195.3846 762935.0039 1.6837 1.8520 PRESSURE: 1134600 -610.479 144.317 -188.713 144.317 -156.444 -289.228 -188.713 -289.228 -34.5103 GPRESSURE: 1134600 -572.532 156.493 -100.645 173.805 -118.08 -324.291 -202.947 -237.207 -34.5231 PRESSAVG: 1134600 -48.1025 -17.3223 -3.6686 -17.3223 53.6905 5.69048 -3.66857 5.69046 -12.2273 GPRESSAVG: 1134600 -47.1474 -18.4961 -1.82187 -17.7511 53.0271 4.6123 -4.27408 4.58186 -12.0725 TIMING: 1134600 CPU: 3585.18, 0.0031745/step Wall: 3585.18, 0.0031745/step, 3.40853 hours remaining, 233.648438 MB of memory in use. ENERGY: 1134600 4059.6733 20544.2461 14537.3014 262.6233 -203783.1111 2759.1420 0.0000 0.0000 52112.1331 -109507.9919 299.4891 -161620.1250 -109159.7849 299.1155 -267.1446 -241.7116 762732.7742 -2.2131 -2.0643 PRESSURE: 1134800 144.723 36.5592 -17.3284 36.5595 -196.118 -128.659 -17.328 -128.66 23.879 GPRESSURE: 1134800 127.164 125.035 -122.611 121.42 -171.214 -98.0009 170.564 -64.6397 84.9755 PRESSAVG: 1134800 11.7287 -26.5906 8.54743 -26.5906 57.136 3.73412 8.54745 3.73408 -16.264 GPRESSAVG: 1134800 11.5362 -28.2287 7.59473 -25.7544 57.6174 7.15199 7.38993 3.88357 -16.4856 TIMING: 1134800 CPU: 3585.82, 0.00316699/step Wall: 3585.82, 0.00316699/step, 3.40029 hours remaining, 233.648438 MB of memory in use. ENERGY: 1134800 3962.4583 20546.1517 14482.4261 254.4740 -203573.1466 2784.3962 0.0000 0.0000 52125.8907 -109417.3495 299.5682 -161543.2402 -109045.5733 299.1177 -9.1723 13.6419 760657.6231 17.5336 17.5560 PRESSURE: 1135000 -470.38 -26.282 181.533 -26.2821 -47.0304 62.4072 181.533 62.407 122.427 GPRESSURE: 1135000 -385.21 -97.3085 190.624 -140.855 -68.0951 1.93773 106.567 75.8378 140.499 PRESSAVG: 1135000 -11.8068 4.2254 31.0717 4.2254 23.2178 8.45605 31.0716 8.45605 -0.601898 GPRESSAVG: 1135000 -11.1515 5.62142 31.318 2.57718 23.0234 6.25883 33.967 8.52843 -0.77378 TIMING: 1135000 CPU: 3586.45, 0.00317914/step Wall: 3586.45, 0.00317914/step, 3.41316 hours remaining, 233.648438 MB of memory in use. ENERGY: 1135000 3993.8279 20553.3519 14509.4214 231.2393 -202915.6184 2557.2417 0.0000 0.0000 51823.3532 -109247.1830 297.8295 -161070.5362 -108880.0397 299.4535 -131.6611 -104.2688 762249.1396 3.6030 3.6994 PRESSURE: 1135200 3.91861 -292.896 -123.706 -292.895 -221.45 -28.6433 -123.706 -28.645 -215.18 GPRESSURE: 1135200 42.5498 -214.438 -103.503 -288.685 -161.609 -64.5293 -106.166 -157.263 -215.854 PRESSAVG: 1135200 14.8114 -23.4174 -39.3193 -23.4175 15.9599 -11.9672 -39.3193 -11.9672 12.8179 GPRESSAVG: 1135200 14.0643 -23.4467 -38.056 -23.2371 17.1116 -13.4961 -41.1158 -11.0565 12.5375 TIMING: 1135200 CPU: 3587.08, 0.00315368/step Wall: 3587.08, 0.00315368/step, 3.38565 hours remaining, 233.648438 MB of memory in use. ENERGY: 1135200 4055.8529 20417.1687 14522.5530 265.2455 -203056.6804 2437.1871 0.0000 0.0000 52131.5783 -109227.0948 299.6009 -161358.6731 -108865.3083 299.1647 -144.2371 -111.6377 762738.7035 14.5297 14.5711 PRESSURE: 1135400 -221.822 -333.537 -203.616 -333.538 50.3826 126.551 -203.616 126.551 68.5429 GPRESSURE: 1135400 -167.662 -243.529 -164.494 -256.868 78.4218 113.229 -274.146 143.716 71.5079 PRESSAVG: 1135400 -35.3933 -21.5103 -18.5105 -21.5103 0.555465 -15.0087 -18.5104 -15.0087 10.6628 GPRESSAVG: 1135400 -34.9171 -20.3963 -18.9748 -19.9791 -0.25645 -14.4205 -18.1102 -16.3269 11.0423 TIMING: 1135400 CPU: 3587.71, 0.0031574/step Wall: 3587.71, 0.0031574/step, 3.38946 hours remaining, 233.648438 MB of memory in use. ENERGY: 1135400 3988.4741 20307.0463 14500.1101 241.1174 -203176.6874 2587.6121 0.0000 0.0000 52043.9890 -109508.3384 299.0975 -161552.3274 -109133.2377 299.0102 -34.2990 -5.9106 762243.0184 -8.0583 -8.0437 PRESSURE: 1135600 -514.707 170.546 83.0185 170.546 -362.277 198.217 83.0184 198.216 -151.679 GPRESSURE: 1135600 -365.973 145.896 89.8703 20.9849 -419.747 147.419 66.5111 65.007 -165.849 PRESSAVG: 1135600 18.8904 -19.6597 -24.3069 -19.6598 59.9377 -1.84175 -24.3069 -1.84163 -4.15942 GPRESSAVG: 1135600 19.5142 -20.6828 -24.9825 -19.5572 58.7972 -1.64143 -25.5691 -1.67842 -3.67549 TIMING: 1135600 CPU: 3588.35, 0.00315484/step Wall: 3588.35, 0.00315484/step, 3.38654 hours remaining, 233.648438 MB of memory in use. ENERGY: 1135600 4072.8416 20551.3161 14527.9212 235.8720 -203367.2313 2629.1401 0.0000 0.0000 51871.3685 -109478.7718 298.1055 -161350.1403 -109124.0885 298.7454 -342.8878 -317.1897 763186.3106 24.8895 24.8787 PRESSURE: 1135800 -429.75 74.0282 105.328 74.0272 -147.993 116.09 105.327 116.092 128.195 GPRESSURE: 1135800 -373.369 74.6524 147.453 -30.4749 -109.642 138.92 -52.8048 98.973 133.028 PRESSAVG: 1135800 21.5666 -56.3274 -58.9777 -56.3273 -35.691 -22.9678 -58.9777 -22.9678 0.070404 GPRESSAVG: 1135800 20.1015 -55.0294 -58.6466 -57.9923 -33.9012 -23.8645 -57.0777 -22.3653 -0.471086 TIMING: 1135800 CPU: 3588.97, 0.00314791/step Wall: 3588.97, 0.00314791/step, 3.37893 hours remaining, 233.648438 MB of memory in use. ENERGY: 1135800 4075.7156 20575.9676 14480.4429 234.0939 -203913.9969 2943.9220 0.0000 0.0000 52003.5585 -109600.2964 298.8652 -161603.8549 -109241.6456 298.9021 -149.8494 -116.6611 761198.1002 -4.6846 -4.7569 PRESSURE: 1136000 65.5363 15.4248 158.761 15.4254 -320.579 -305.491 158.761 -305.492 -221.566 GPRESSURE: 1136000 37.4907 -90.7297 134.815 -25.1283 -256.059 -253.91 -0.020079 -226.585 -184.328 PRESSAVG: 1136000 17.3878 -25.7338 -11.0187 -25.7337 -1.21692 -7.57932 -11.0187 -7.57926 -7.21644 GPRESSAVG: 1136000 19.173 -25.5846 -10.0687 -25.9346 -2.57653 -5.17854 -12.7908 -10.2003 -7.9968 TIMING: 1136000 CPU: 3589.61, 0.00315992/step Wall: 3589.61, 0.00315992/step, 3.39164 hours remaining, 233.648438 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: 1136000 3990.0880 20416.9093 14477.9620 233.4942 -203143.4655 2524.3237 0.0000 0.0000 51639.4906 -109861.1977 296.7729 -161500.6883 -109498.4277 298.2305 -158.8693 -134.2990 763183.5630 2.9848 2.8666 PRESSURE: 1136200 -167.803 -12.3147 97.7476 -12.3145 -423.91 23.5321 97.7461 23.5317 -307.563 GPRESSURE: 1136200 -179.607 -91.3163 94.0537 46.6379 -358.15 41.1583 0.751686 29.5033 -266.614 PRESSAVG: 1136200 46.0901 -3.86601 36.0978 -3.86604 -39.7258 -34.1137 36.0978 -34.1137 2.67944 GPRESSAVG: 1136200 44.7715 -6.52107 36.7258 -1.70724 -39.4745 -34.2572 36.4818 -32.4012 3.22899 TIMING: 1136200 CPU: 3590.24, 0.00316006/step Wall: 3590.24, 0.00316006/step, 3.39163 hours remaining, 233.648438 MB of memory in use. ENERGY: 1136200 4003.5203 20446.7520 14425.8013 250.0473 -203443.2020 2477.4960 0.0000 0.0000 51985.9255 -109853.6598 298.7638 -161839.5852 -109494.7333 297.6014 -299.7585 -268.1237 760664.6943 3.0146 2.8420 LDB: ============= START OF LOAD BALANCING ============== 3602.77 LDB: ============== END OF LOAD BALANCING =============== 3602.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3602.77 LDB: ============= START OF LOAD BALANCING ============== 3603.09 LDB: Largest compute 7042 load 0.031185 is 16.0% of average load 0.195294 LDB: Average compute 0.004394 is 2.3% of average load 0.195294 LDB: TIME 3603.09 LOAD: AVG 0.195294 MAX 0.21851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.391 MB LDB: TIME 3603.09 LOAD: AVG 0.195294 MAX 0.21851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: TIME 3603.09 LOAD: AVG 0.195294 MAX 0.215857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: ============== END OF LOAD BALANCING =============== 3603.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3603.1 PRESSURE: 1136400 -309.188 -215.462 -40.564 -215.462 -249.388 88.3978 -40.5646 88.3986 -517.383 GPRESSURE: 1136400 -292.648 -169.27 -91.3277 -211.424 -214.976 -32.6903 43.1288 42.5096 -489.275 PRESSAVG: 1136400 -14.7875 -3.32469 71.6941 -3.32472 22.539 46.9506 71.6942 46.9506 6.05905 GPRESSAVG: 1136400 -14.1776 -1.96689 71.3058 -4.5283 22.1619 46.9868 72.0541 45.9961 5.77424 TIMING: 1136400 CPU: 3590.88, 0.0032149/step Wall: 3590.88, 0.0032149/step, 3.4503 hours remaining, 232.367188 MB of memory in use. ENERGY: 1136400 4012.1157 20484.3933 14408.1553 253.0012 -203176.3118 2434.4131 0.0000 0.0000 51650.0889 -109934.1442 296.8338 -161584.2331 -109574.1426 297.8749 -358.6529 -332.2997 762031.0141 4.6035 4.5862 PRESSURE: 1136600 191.596 41.8944 53.498 41.8941 -391.601 -41.9225 53.4966 -41.9235 102.081 GPRESSURE: 1136600 184.168 -47.9128 78.7248 88.6762 -294.392 57.5157 121.023 -42.4343 94.4012 PRESSAVG: 1136600 9.61425 -33.8693 24.91 -33.8693 16.4391 36.1534 24.91 36.1534 -2.70501 GPRESSAVG: 1136600 8.51508 -33.4562 24.7674 -33.852 16.9794 34.6405 26.3083 36.5697 -2.25904 TIMING: 1136600 CPU: 3591.51, 0.00315047/step Wall: 3591.51, 0.00315047/step, 3.38098 hours remaining, 232.367188 MB of memory in use. ENERGY: 1136600 3975.7501 20405.9567 14527.7047 270.7990 -203477.2071 2662.0761 0.0000 0.0000 51830.2167 -109804.7038 297.8690 -161634.9205 -109437.8191 297.6715 -32.6411 -5.2744 761883.7058 7.7828 7.7452 PRESSURE: 1136800 -238.367 -74.59 92.3878 -74.5902 -173.932 44.7225 92.3883 44.7227 -157.09 GPRESSURE: 1136800 -189.8 -145.555 83.368 -88.867 -127.992 -7.886 149.413 110.626 -142.818 PRESSAVG: 1136800 4.82872 -36.38 36.4447 -36.38 -30.1277 64.083 36.4447 64.083 3.05079 GPRESSAVG: 1136800 4.45041 -38.551 35.6055 -34.0419 -29.7808 62.7664 35.5829 64.3065 3.12273 TIMING: 1136800 CPU: 3592.14, 0.00316506/step Wall: 3592.14, 0.00316506/step, 3.39646 hours remaining, 232.367188 MB of memory in use. ENERGY: 1136800 3984.1974 20319.9325 14473.2254 260.3576 -203460.4833 2777.2863 0.0000 0.0000 51996.3158 -109649.1684 298.8235 -161645.4842 -109288.0798 298.5037 -189.7965 -153.5367 761897.5981 -7.4161 -7.4026 PRESSURE: 1137000 1.58824 -271.817 70.6623 -271.818 30.8764 124.828 70.6631 124.828 -278.898 GPRESSURE: 1137000 22.2491 -164.983 34.7516 -239.917 66.0983 38.8295 165.92 162.549 -243.889 PRESSAVG: 1137000 -44.7286 -82.9075 -20.9395 -82.9075 15.9611 -34.3526 -20.9395 -34.3524 -5.85847 GPRESSAVG: 1137000 -43.6951 -81.3055 -19.9979 -83.9824 15.393 -34.1479 -20.1395 -33.8311 -6.80076 TIMING: 1137000 CPU: 3592.77, 0.00315034/step Wall: 3592.77, 0.00315034/step, 3.38049 hours remaining, 232.367188 MB of memory in use. ENERGY: 1137000 4010.2859 20420.9297 14596.8713 259.3957 -203741.7047 2925.0174 0.0000 0.0000 51974.9834 -109554.2214 298.7009 -161529.2048 -109197.0709 298.4278 -82.1445 -51.8472 761010.4085 -11.5420 -11.7010 PRESSURE: 1137200 -204.176 -209.892 132.01 -209.892 29.5397 -2.07115 132.011 -2.07001 66.5169 GPRESSURE: 1137200 -73.7197 -182.617 71.2486 -156.615 22.0954 -33.5714 10.2867 -59.979 20.6312 PRESSAVG: 1137200 26.6227 -66.3558 35.3073 -66.3558 8.81462 -28.473 35.3073 -28.4729 8.54319 GPRESSAVG: 1137200 25.5573 -64.4984 35.1676 -69.2457 9.53063 -27.0385 34.1729 -28.7828 8.83816 TIMING: 1137200 CPU: 3593.4, 0.00313306/step Wall: 3593.4, 0.00313306/step, 3.36177 hours remaining, 232.367188 MB of memory in use. ENERGY: 1137200 3992.3465 20641.5874 14406.0855 235.3656 -203447.1101 2703.5855 0.0000 0.0000 51747.5307 -109720.6089 297.3938 -161468.1396 -109372.1105 298.6534 -36.0398 -10.3310 761976.2527 14.6602 14.6420 PRESSURE: 1137400 -153.073 101.816 -163.529 101.816 449.762 83.3274 -163.529 83.3277 -416.685 GPRESSURE: 1137400 -64.6366 194.375 -184.969 143.361 390.991 64.6656 -36.4202 39.44 -364.189 PRESSAVG: 1137400 -46.4862 -39.2371 43.3474 -39.2372 22.9274 -19.4791 43.3474 -19.4791 16.6939 GPRESSAVG: 1137400 -46.6549 -40.2073 42.4992 -36.9888 23.1121 -20.3235 43.1854 -20.9026 17.2739 TIMING: 1137400 CPU: 3594.03, 0.00315077/step Wall: 3594.03, 0.00315077/step, 3.3806 hours remaining, 232.367188 MB of memory in use. ENERGY: 1137400 3957.6681 20321.7358 14491.4493 243.1437 -202974.8488 2347.6556 0.0000 0.0000 52153.5843 -109459.6119 299.7274 -161613.1962 -109096.4365 298.9098 -39.9988 -12.6113 763785.0090 -2.2883 -2.0897 PRESSURE: 1137600 16.4662 -135.998 18.7628 -135.998 -138.522 -70.6037 18.763 -70.6034 -89.877 GPRESSURE: 1137600 96.2967 -15.0031 74.2652 -83.5424 -92.5956 -32.5607 10.8016 -91.8014 -145.031 PRESSAVG: 1137600 19.4608 -31.0429 -17.5843 -31.0429 16.41 -27.2311 -17.5844 -27.2311 1.06599 GPRESSAVG: 1137600 20.5927 -30.7132 -18.1823 -31.3571 15.0762 -27.3399 -16.5138 -26.4287 1.15057 TIMING: 1137600 CPU: 3594.66, 0.00314423/step Wall: 3594.66, 0.00314423/step, 3.37341 hours remaining, 232.367188 MB of memory in use. ENERGY: 1137600 4003.7399 20522.8557 14481.5098 240.7959 -203284.0578 2748.5617 0.0000 0.0000 51784.6163 -109501.9786 297.6069 -161286.5948 -109148.0550 298.9380 -70.6444 -47.1101 762875.6254 12.3123 12.2732 PRESSURE: 1137800 516.002 27.9976 193.396 27.9982 21.1011 142.068 193.397 142.068 360.59 GPRESSURE: 1137800 513.059 -168.681 150.942 13.5868 121.373 68.9459 138.448 88.705 373.383 PRESSAVG: 1137800 -16.6665 -16.8865 30.485 -16.8866 15.2428 22.9623 30.4849 22.9623 4.36592 GPRESSAVG: 1137800 -16.794 -18.2502 30.9842 -14.5539 15.9395 23.2021 31.3791 24.1366 3.97716 TIMING: 1137800 CPU: 3595.29, 0.00315847/step Wall: 3595.29, 0.00315847/step, 3.38851 hours remaining, 232.367188 MB of memory in use. ENERGY: 1137800 3966.2358 20567.8501 14530.8515 264.5306 -203011.7714 2636.7139 0.0000 0.0000 51742.6920 -109302.8975 297.3660 -161045.5895 -108939.5066 298.6507 299.2312 335.9385 762659.8412 0.9807 1.0409 PRESSURE: 1138000 -239.86 -156.431 162.616 -156.43 -164.497 49.9694 162.616 49.9692 -29.4888 GPRESSURE: 1138000 -199.799 -71.2352 113.315 -0.203445 -131.903 61.9218 157.711 48.8651 -24.5967 PRESSAVG: 1138000 -47.1114 -60.0605 -57.3819 -60.0605 50.1838 22.2595 -57.382 22.2595 -14.5914 GPRESSAVG: 1138000 -47.8034 -60.8583 -57.5463 -61.124 50.8524 22.4946 -57.9963 21.9045 -14.2381 TIMING: 1138000 CPU: 3595.93, 0.00316872/step Wall: 3595.93, 0.00316871/step, 3.39933 hours remaining, 232.367188 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: 1138000 3988.8021 20627.1032 14506.1245 271.9224 -203236.5433 2537.4992 0.0000 0.0000 52188.2863 -109116.8056 299.9268 -161305.0919 -108750.9341 299.7259 -144.6153 -118.7662 762580.9798 -3.8397 -3.7297 PRESSURE: 1138200 98.5286 55.7389 -57.2279 55.7386 -154.585 -195.724 -57.2285 -195.725 123.109 GPRESSURE: 1138200 159.431 75.493 -66.7221 -1.52128 -144.621 -171.445 5.26691 -205.848 131.087 PRESSAVG: 1138200 70.355 -72.4988 23.4468 -72.4988 -52.3583 9.14784 23.4467 9.14783 8.79724 GPRESSAVG: 1138200 72.2867 -71.775 23.1075 -71.7605 -53.5904 10.1674 21.8163 8.78062 8.59466 TIMING: 1138200 CPU: 3596.56, 0.00315104/step Wall: 3596.56, 0.00315104/step, 3.38019 hours remaining, 232.367188 MB of memory in use. ENERGY: 1138200 4029.8179 20583.2611 14487.8241 246.1494 -203618.2190 2814.3547 0.0000 0.0000 52249.5022 -109207.3096 300.2786 -161456.8117 -108854.0150 299.6743 22.3507 48.6325 760231.2707 8.9313 9.0970 PRESSURE: 1138400 -308.211 -102.02 177.747 -102.02 15.4989 -127.654 177.747 -127.654 243.182 GPRESSURE: 1138400 -96.3082 -146.759 258.277 -60.4454 -61.81 -73.6143 110.791 -82.6452 212.364 PRESSAVG: 1138400 35.6387 -45.5791 -64.4789 -45.5791 -54.9815 -44.9413 -64.4789 -44.9413 -20.4066 GPRESSAVG: 1138400 35.1144 -44.4648 -64.6996 -47.5112 -54.0408 -46.449 -65.1556 -43.7226 -20.6899 TIMING: 1138400 CPU: 3597.19, 0.00314563/step Wall: 3597.19, 0.00314563/step, 3.37421 hours remaining, 232.367188 MB of memory in use. ENERGY: 1138400 4016.9212 20586.7812 14516.6635 234.4828 -203324.5684 2604.7514 0.0000 0.0000 51885.3136 -109479.6546 298.1856 -161364.9682 -109125.0882 299.6470 -16.5102 18.0820 761407.6432 -13.2498 -13.2054 PRESSURE: 1138600 -10.7711 -54.4165 -76.941 -54.4163 95.4811 -123.593 -76.9417 -123.593 15.3984 GPRESSURE: 1138600 -13.5572 -56.2292 -85.3489 -87.2094 187.673 -190.023 -100.016 -132.254 7.05349 PRESSAVG: 1138600 -29.1441 -24.3269 0.975675 -24.3269 35.664 19.9714 0.975701 19.9714 -5.99085 GPRESSAVG: 1138600 -29.0003 -24.6665 1.05924 -23.5352 34.9127 21.2193 1.96305 18.5297 -5.02929 TIMING: 1138600 CPU: 3597.81, 0.0031362/step Wall: 3597.81, 0.0031362/step, 3.36392 hours remaining, 232.367188 MB of memory in use. ENERGY: 1138600 3915.4494 20685.2898 14459.0343 242.9012 -203390.0933 2793.5924 0.0000 0.0000 52019.9009 -109273.9254 298.9591 -161293.8262 -108917.4902 299.6270 33.3694 60.3899 762382.5182 0.1763 0.2944 PRESSURE: 1138800 -103.003 -161.646 134.626 -161.645 99.7148 -226.421 134.627 -226.422 324.152 GPRESSURE: 1138800 -29.247 -64.0103 73.7902 -161.481 89.8937 -331.222 126.407 -175.903 316.06 PRESSAVG: 1138800 -8.4264 -4.159 -20.8285 -4.15902 1.79621 -13.7597 -20.8286 -13.7598 12.9585 GPRESSAVG: 1138800 -9.02854 -3.38745 -20.1516 -5.3138 2.43027 -15.7363 -19.7617 -12.1856 12.8985 TIMING: 1138800 CPU: 3598.44, 0.00315083/step Wall: 3598.44, 0.00315083/step, 3.37944 hours remaining, 232.367188 MB of memory in use. ENERGY: 1138800 4005.4162 20434.4966 14372.4743 255.6672 -203168.2159 2447.2223 0.0000 0.0000 52204.0332 -109448.9061 300.0173 -161652.9393 -109088.8511 299.3777 106.9549 125.5689 763131.7290 2.1094 2.1001 PRESSURE: 1139000 -357.86 60.7042 -183.791 60.7037 -123.89 187.673 -183.791 187.673 -260.701 GPRESSURE: 1139000 -234.522 89.5569 -227.275 173.846 -173.292 250.415 -215.724 248.249 -240.465 PRESSAVG: 1139000 -1.98947 -54.7403 -19.5993 -54.7403 -5.86168 18.0402 -19.5993 18.0401 -9.85828 GPRESSAVG: 1139000 -2.17776 -57.4165 -20.0735 -51.9548 -5.30463 19.9161 -20.6922 19.173 -9.78898 TIMING: 1139000 CPU: 3599.07, 0.00315274/step Wall: 3599.07, 0.00315274/step, 3.38131 hours remaining, 232.367188 MB of memory in use. ENERGY: 1139000 3985.1834 20553.5161 14499.5244 264.0860 -203491.9610 2641.5725 0.0000 0.0000 52082.4386 -109465.6401 299.3185 -161548.0786 -109102.7836 299.3754 -247.4835 -216.0930 762426.5011 -5.9031 -5.7571 PRESSURE: 1139200 157.247 -146.776 -131.161 -146.776 -328.032 -44.2434 -131.161 -44.2436 -152.094 GPRESSURE: 1139200 102.527 -42.5054 -102.922 -95.1485 -205.19 -19.0033 -198.228 -39.4212 -139.077 PRESSAVG: 1139200 11.6861 -14.3648 -55.1524 -14.3648 -45.7506 20.2106 -55.1523 20.2106 26.5562 GPRESSAVG: 1139200 12.6418 -11.3587 -54.8304 -15.3573 -46.5081 19.6983 -56.0106 19.1577 26.3361 TIMING: 1139200 CPU: 3599.7, 0.00314835/step Wall: 3599.7, 0.00314835/step, 3.37643 hours remaining, 232.367188 MB of memory in use. ENERGY: 1139200 3977.0841 20523.9761 14417.1526 240.4834 -203880.0678 2817.8940 0.0000 0.0000 52265.6496 -109637.8280 300.3714 -161903.4775 -109266.5023 298.4731 -107.6262 -80.5802 761383.3855 -2.5027 -2.5100 PRESSURE: 1139400 -189.4 -73.5611 -180.124 -73.5603 -320.757 -319.387 -180.123 -319.387 -65.029 GPRESSURE: 1139400 -159.491 -49.445 -227.558 -144.156 -263.251 -194.375 -165.629 -382.72 -80.2977 PRESSAVG: 1139400 10.4748 -15.9131 -5.62371 -15.9131 6.92194 -47.6363 -5.62369 -47.6363 -26.0435 GPRESSAVG: 1139400 10.4992 -17.4211 -6.77192 -16.5964 7.18488 -48.7701 -4.06747 -48.3344 -26.3336 TIMING: 1139400 CPU: 3600.33, 0.00314295/step Wall: 3600.33, 0.00314294/step, 3.37046 hours remaining, 232.367188 MB of memory in use. ENERGY: 1139400 4015.7853 20568.3282 14481.3471 235.4528 -203496.6260 2577.4280 0.0000 0.0000 52012.6290 -109605.6556 298.9173 -161618.2846 -109235.4121 298.8984 -191.7288 -167.6798 762716.5431 -2.8822 -2.8832 PRESSURE: 1139600 -253.971 141.956 -47.892 141.956 -278.094 133.127 -47.8912 133.127 -130.375 GPRESSURE: 1139600 -187.776 100.53 -69.0932 126.178 -258.345 82.1671 13.7711 -15.9703 -140.526 PRESSAVG: 1139600 3.44292 -30.8962 46.4288 -30.8962 -40.9877 -28.0627 46.4288 -28.0627 -2.46313 GPRESSAVG: 1139600 4.29899 -31.9603 47.1433 -31.671 -42.7358 -26.1364 47.5954 -30.6731 -1.83982 TIMING: 1139600 CPU: 3600.96, 0.00314645/step Wall: 3600.96, 0.00314645/step, 3.37405 hours remaining, 232.367188 MB of memory in use. ENERGY: 1139600 3962.9875 20667.1704 14518.2857 247.9445 -203279.0294 2551.1471 0.0000 0.0000 51834.3742 -109497.1200 297.8929 -161331.4942 -109142.0789 299.1797 -220.8134 -195.5490 761669.1428 -13.3360 -13.4256 PRESSURE: 1139800 -207.847 -75.1235 179.051 -75.1235 43.7649 -391.451 179.051 -391.45 124.212 GPRESSURE: 1139800 -35.9891 -83.1548 268.557 -103.869 101.985 -382.365 48.5668 -227.466 5.88009 PRESSAVG: 1139800 18.6923 -39.053 59.6307 -39.053 -43.024 -25.4814 59.6307 -25.4814 21.5428 GPRESSAVG: 1139800 17.8316 -39.0004 58.4954 -37.2775 -41.0279 -25.2014 58.2073 -22.3061 20.8594 TIMING: 1139800 CPU: 3601.59, 0.00315661/step Wall: 3601.59, 0.00315661/step, 3.38476 hours remaining, 232.367188 MB of memory in use. ENERGY: 1139800 4009.8037 20606.3619 14480.2468 232.6732 -203607.6305 2765.7886 0.0000 0.0000 52063.3833 -109449.3730 299.2090 -161512.7563 -109079.0424 299.3381 -13.2900 23.9588 761155.8132 -0.9296 -0.7790 PRESSURE: 1140000 -243.552 -23.8289 164.12 -23.8295 -271.612 161.701 164.12 161.701 -274.989 GPRESSURE: 1140000 -202.321 -58.8454 118.796 -21.5016 -299.019 138.819 199.619 253.303 -207.122 PRESSAVG: 1140000 9.01844 -22.8081 79.8614 -22.8081 -11.661 8.47724 79.8614 8.47725 -3.24793 GPRESSAVG: 1140000 11.0895 -22.3396 80.4625 -25.6911 -13.7802 9.57333 82.2145 7.90492 -2.78998 TIMING: 1140000 CPU: 3602.22, 0.00315903/step Wall: 3602.22, 0.00315903/step, 3.38718 hours remaining, 232.367188 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: 1140000 4012.1627 20497.9072 14515.9599 242.3365 -203253.9700 2452.5771 0.0000 0.0000 51984.1270 -109548.8994 298.7535 -161533.0265 -109175.4585 299.1946 -263.3841 -236.1540 762184.5975 -1.9635 -1.8269 PRESSURE: 1140200 -87.4913 87.2938 -62.0858 87.2937 154.34 58.1344 -62.086 58.1335 -139.959 GPRESSURE: 1140200 -8.76337 130.913 -48.2959 84.0807 248.847 -38.2553 -215.196 67.8587 -223.119 PRESSAVG: 1140200 -44.9655 -31.1322 5.75676 -31.1321 7.20075 22.4164 5.75672 22.4164 -2.44225 GPRESSAVG: 1140200 -46.868 -30.0849 7.88868 -28.574 9.30936 20.6234 1.9968 19.5317 -2.47609 TIMING: 1140200 CPU: 3602.86, 0.00317402/step Wall: 3602.86, 0.00317402/step, 3.40307 hours remaining, 232.367188 MB of memory in use. ENERGY: 1140200 3980.6548 20281.1881 14487.5897 236.7064 -203235.0037 2707.7595 0.0000 0.0000 52007.4109 -109533.6943 298.8873 -161541.1052 -109166.5769 298.6263 -24.3702 5.6550 762492.8093 -13.4023 -13.3449 LDB: ============= START OF LOAD BALANCING ============== 3615.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3615.39 LDB: =============== DONE WITH MIGRATION ================ 3615.39 LDB: ============= START OF LOAD BALANCING ============== 3615.71 LDB: Largest compute 7031 load 0.029838 is 15.3% of average load 0.195432 LDB: Average compute 0.004365 is 2.2% of average load 0.195432 LDB: TIME 3615.71 LOAD: AVG 0.195432 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 3615.71 LOAD: AVG 0.195432 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: TIME 3615.71 LOAD: AVG 0.195432 MAX 0.214595 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: ============== END OF LOAD BALANCING =============== 3615.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3615.72 PRESSURE: 1140400 -404.514 369.435 200.339 369.435 76.2108 82.2647 200.341 82.2641 199.616 GPRESSURE: 1140400 -288.424 404.567 211.12 300.672 121.255 108.841 35.9209 112.921 119.08 PRESSAVG: 1140400 -72.806 -9.80392 38.9489 -9.80389 7.45706 30.0919 38.9489 30.0919 10.448 GPRESSAVG: 1140400 -72.0178 -11.0756 38.3032 -11.6264 6.49832 30.0865 40.0955 34.2513 10.5882 TIMING: 1140400 CPU: 3603.5, 0.00322124/step Wall: 3603.5, 0.00322124/step, 3.45353 hours remaining, 232.878906 MB of memory in use. ENERGY: 1140400 4024.1136 20380.6830 14473.2924 247.8894 -203106.9126 2332.6475 0.0000 0.0000 52159.4900 -109488.7967 299.7613 -161648.2867 -109112.0091 298.6854 -42.8958 -16.0294 762079.2934 -18.3003 -18.3104 PRESSURE: 1140600 -363.316 63.7316 42.9324 63.732 -318.35 -115.361 42.9333 -115.36 -369.623 GPRESSURE: 1140600 -331.648 55.1514 54.2542 82.3415 -287.37 -123.122 23.2042 -102.942 -353.084 PRESSAVG: 1140600 -43.0788 -19.6934 43.607 -19.6935 4.4334 2.10972 43.607 2.10975 -19.962 GPRESSAVG: 1140600 -43.6264 -19.8652 44.5188 -19.95 4.9934 0.790141 43.3734 0.186352 -19.5973 TIMING: 1140600 CPU: 3604.13, 0.00315697/step Wall: 3604.13, 0.00315697/step, 3.38444 hours remaining, 232.878906 MB of memory in use. ENERGY: 1140600 4011.3622 20465.2050 14393.3578 225.8317 -203682.6468 2573.3622 0.0000 0.0000 52310.2407 -109703.2872 300.6277 -162013.5279 -109334.0732 298.8344 -350.4297 -324.0342 761943.6076 -19.5358 -19.4101 PRESSURE: 1140800 408.428 58.0144 101.492 58.0149 -11.3339 64.0341 101.493 64.0349 123.588 GPRESSURE: 1140800 463.264 -11.4249 111.3 -53.2666 92.9938 77.3652 106.839 104.181 44.3547 PRESSAVG: 1140800 -23.6342 30.0729 36.6263 30.0729 20.3321 -23.6734 36.6264 -23.6735 -0.269409 GPRESSAVG: 1140800 -24.2625 30.0375 35.0312 30.2056 19.78 -22.1162 37.4654 -23.5272 0.153618 TIMING: 1140800 CPU: 3604.77, 0.00317015/step Wall: 3604.77, 0.00317015/step, 3.3984 hours remaining, 232.878906 MB of memory in use. ENERGY: 1140800 3948.3526 20445.1652 14522.7775 244.4722 -203557.4652 2942.4611 0.0000 0.0000 52047.4134 -109406.8233 299.1172 -161454.2367 -109051.6545 298.8416 173.5607 200.2042 761364.8920 -1.1905 -1.4430 PRESSURE: 1141000 -223.342 -48.4149 152.608 -48.415 -332.73 48.7551 152.608 48.7552 134.759 GPRESSURE: 1141000 -180.973 -1.72216 115.363 -79.3181 -282.538 0.73397 173.054 112.829 137.119 PRESSAVG: 1141000 -5.51468 -13.6336 9.4049 -13.6335 60.5206 -2.26553 9.40491 -2.26551 -10.5056 GPRESSAVG: 1141000 -4.87719 -14.1536 8.72902 -13.4868 59.8115 -1.84006 9.81265 -2.95715 -10.3991 TIMING: 1141000 CPU: 3605.4, 0.00317288/step Wall: 3605.4, 0.00317288/step, 3.40115 hours remaining, 232.878906 MB of memory in use. ENERGY: 1141000 4035.9372 20513.6369 14449.8625 263.5185 -203193.4672 2444.5949 0.0000 0.0000 52067.0286 -109418.8886 299.2299 -161485.9173 -109065.5391 298.9211 -140.4381 -108.7976 761705.4034 14.8334 14.8450 PRESSURE: 1141200 -398.132 3.87138 49.3386 3.87146 -351.629 -214.624 49.3384 -214.625 236.135 GPRESSURE: 1141200 -362.657 -68.9935 147.886 92.3535 -179.893 -151.339 -27.4928 -82.7474 133.666 PRESSAVG: 1141200 -3.2817 -6.21515 33.6102 -6.21519 -46.6319 29.4207 33.6102 29.4206 23.0134 GPRESSAVG: 1141200 -4.90136 -6.00327 34.1293 -4.18702 -44.4799 28.9258 34.2853 33.4323 21.8786 TIMING: 1141200 CPU: 3606.03, 0.00314672/step Wall: 3606.03, 0.00314673/step, 3.37294 hours remaining, 232.878906 MB of memory in use. ENERGY: 1141200 3923.1085 20570.1174 14475.6736 240.1187 -203116.5353 2394.8098 0.0000 0.0000 52318.2426 -109194.4646 300.6737 -161512.7072 -108829.0094 299.2460 -171.2087 -136.2947 762846.9887 -8.9667 -9.1676 PRESSURE: 1141400 -25.7138 26.3822 -127.428 26.3831 44.0681 42.9638 -127.43 42.9644 -159.15 GPRESSURE: 1141400 -109.15 53.5946 -183.469 -11.3996 125.721 52.8476 -104.385 51.9458 -78.3842 PRESSAVG: 1141400 2.41934 28.7364 -16.0371 28.7364 24.54 43.7309 -16.0371 43.731 -10.3511 GPRESSAVG: 1141400 3.10793 27.7119 -15.6852 28.6994 23.4356 44.522 -16.1737 39.892 -10.2643 TIMING: 1141400 CPU: 3606.66, 0.00315431/step Wall: 3606.66, 0.00315431/step, 3.3809 hours remaining, 232.878906 MB of memory in use. ENERGY: 1141400 3947.6166 20535.8943 14464.7266 260.6687 -203459.1241 2744.8427 0.0000 0.0000 52098.7088 -109406.6663 299.4120 -161505.3752 -109052.3938 299.7456 -46.9319 -20.6045 763498.7857 5.5360 5.4264 PRESSURE: 1141600 49.4799 -63.2809 -87.4534 -63.2814 287.021 -8.03022 -87.4531 -8.03008 231.106 GPRESSURE: 1141600 75.2147 -192.809 -126.071 -76.1848 293.461 7.99475 -101.575 54.5261 259.64 PRESSAVG: 1141600 -22.4358 6.09123 -18.0243 6.09126 60.4231 -11.9881 -18.0243 -11.988 8.80575 GPRESSAVG: 1141600 -22.1978 7.74962 -18.295 3.70093 60.129 -14.1337 -19.2781 -11.4632 8.30314 TIMING: 1141600 CPU: 3607.3, 0.00316436/step Wall: 3607.3, 0.00316436/step, 3.39149 hours remaining, 232.878906 MB of memory in use. ENERGY: 1141600 4010.3527 20493.4704 14507.8463 230.0015 -203783.7284 3098.5695 0.0000 0.0000 52145.0949 -109298.3931 299.6786 -161443.4880 -108941.1238 299.4338 189.2024 209.4385 761867.5728 15.5977 15.4114 PRESSURE: 1141800 -39.1211 -149.035 -169.878 -149.036 -39.0036 83.0951 -169.879 83.0938 -77.926 GPRESSURE: 1141800 -14.4635 -209.778 -154.834 -125.397 4.05986 112.06 -140.641 48.4918 -47.1597 PRESSAVG: 1141800 -13.6149 15.3527 -13.3928 15.3527 -26.4801 -11.9625 -13.3928 -11.9625 1.81836 GPRESSAVG: 1141800 -14.6773 13.558 -13.0016 17.5155 -26.2947 -9.54901 -12.5169 -11.2258 2.49798 TIMING: 1141800 CPU: 3607.93, 0.00316752/step Wall: 3607.93, 0.00316752/step, 3.3947 hours remaining, 232.878906 MB of memory in use. ENERGY: 1141800 3951.3613 20561.7349 14482.2006 225.5413 -203433.0177 2897.6110 0.0000 0.0000 52203.7332 -109110.8355 300.0156 -161314.5687 -108746.1632 299.5001 -52.0169 -19.1878 765628.4633 -12.7589 -12.8247 PRESSURE: 1142000 -106.914 -4.82825 475.968 -4.82899 -79.9234 -52.2431 475.968 -52.2439 -305.615 GPRESSURE: 1142000 -86.5056 -47.846 459.034 36.3225 -58.3811 -5.93323 308.005 -41.7058 -238.147 PRESSAVG: 1142000 -67.1247 -5.98338 48.3419 -5.98341 74.3736 -55.7377 48.3419 -55.7376 5.72729 GPRESSAVG: 1142000 -66.9163 -4.92639 47.6486 -4.92533 74.3975 -53.6248 48.1173 -57.3934 5.30867 TIMING: 1142000 CPU: 3608.56, 0.00315896/step Wall: 3608.56, 0.00315896/step, 3.38535 hours remaining, 232.878906 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: 1142000 4072.8305 20469.9116 14506.0420 247.4036 -203416.2328 2893.0273 0.0000 0.0000 52144.6221 -109082.3957 299.6759 -161227.0178 -108714.8471 299.2744 -164.1508 -127.6780 766038.8523 4.3254 4.2633 PRESSURE: 1142200 219.006 -185.655 55.5178 -185.656 -147.512 19.241 55.5179 19.242 238.591 GPRESSURE: 1142200 247.424 -40.1202 40.6233 -220.858 -89.1989 -40.5736 152.849 56.3018 232.853 PRESSAVG: 1142200 -22.7072 45.6054 -11.3027 45.6054 -2.54482 -11.9991 -11.3028 -11.9991 2.29719 GPRESSAVG: 1142200 -23.4309 46.0859 -9.92962 43.9387 -1.94932 -13.7001 -11.9513 -12.2122 2.26871 TIMING: 1142200 CPU: 3609.19, 0.00316346/step Wall: 3609.19, 0.00316346/step, 3.39 hours remaining, 232.878906 MB of memory in use. ENERGY: 1142200 4082.2467 20708.9440 14535.5235 240.9299 -203366.3891 2801.3639 0.0000 0.0000 51839.7387 -109157.6424 297.9237 -160997.3812 -108811.7660 299.9119 103.3615 130.3593 763121.8755 -7.6516 -7.7038 PRESSURE: 1142400 -59.3142 78.6193 124.626 78.6191 192.983 -45.5303 124.625 -45.5301 124.038 GPRESSURE: 1142400 19.4439 -29.354 93.7671 113.06 105.82 7.53169 3.17116 -124.33 207.903 PRESSAVG: 1142400 9.57836 45.1146 32.9234 45.1146 48.2118 -7.12723 32.9234 -7.12736 36.2146 GPRESSAVG: 1142400 11.2543 44.2003 31.9038 45.4094 46.329 -7.6827 34.0586 -8.53751 36.9842 TIMING: 1142400 CPU: 3609.83, 0.00315824/step Wall: 3609.83, 0.00315824/step, 3.38422 hours remaining, 232.878906 MB of memory in use. ENERGY: 1142400 3986.8892 20477.4718 14572.9249 235.7618 -203523.5419 2981.4783 0.0000 0.0000 52120.4941 -109148.5219 299.5372 -161269.0160 -108784.3146 299.4178 85.9023 111.0557 762463.6070 31.3349 31.5225 PRESSURE: 1142600 -157.342 157.516 11.854 157.516 50.0472 -47.8412 11.8547 -47.842 351.821 GPRESSURE: 1142600 -116.63 92.1072 -29.8937 165.959 128.556 1.34338 -0.877604 48.6022 312.797 PRESSAVG: 1142600 -14.9866 21.6027 -6.55078 21.6027 13.3594 6.3473 -6.55082 6.34737 -7.2635 GPRESSAVG: 1142600 -14.7798 21.1542 -4.70612 22.9892 14.0861 5.87522 -7.62584 7.01125 -8.51538 TIMING: 1142600 CPU: 3610.46, 0.00317704/step Wall: 3610.46, 0.00317704/step, 3.4042 hours remaining, 232.878906 MB of memory in use. ENERGY: 1142600 4056.2288 20467.8247 14486.2650 255.2580 -203518.4582 2893.4777 0.0000 0.0000 51818.0229 -109541.3811 297.7989 -161359.4040 -109185.6134 298.9323 81.5088 108.2412 765245.8290 -2.9636 -3.0697 PRESSURE: 1142800 263.544 173.08 -218.257 173.081 -267.706 -115.446 -218.258 -115.446 228.927 GPRESSURE: 1142800 240.83 114.991 -279.105 71.4828 -255.769 -100.56 -194.594 -92.8893 298.64 PRESSAVG: 1142800 -6.88637 7.11862 -7.32081 7.11861 27.5189 -45.899 -7.3207 -45.899 -1.03194 GPRESSAVG: 1142800 -8.32767 9.43191 -8.0531 6.44323 27.2582 -46.5654 -7.49294 -43.6436 0.459225 TIMING: 1142800 CPU: 3611.1, 0.00318165/step Wall: 3611.1, 0.00318165/step, 3.40896 hours remaining, 232.878906 MB of memory in use. ENERGY: 1142800 4077.8205 20626.9198 14499.5026 264.4444 -203440.1506 2915.4841 0.0000 0.0000 52019.1114 -109036.8678 298.9545 -161055.9792 -108688.2753 298.9976 74.9218 94.5671 764900.6280 6.5335 6.4633 PRESSURE: 1143000 -3.01605 -59.9288 48.3232 -59.9292 123.714 57.4981 48.3235 57.4977 59.8416 GPRESSURE: 1143000 94.9676 38.2297 -0.270619 -45.2871 123.419 97.6481 84.5465 164.034 70.4163 PRESSAVG: 1143000 -17.7639 -27.3166 -26.4814 -27.3165 31.4435 -16.3875 -26.4813 -16.3875 0.221006 GPRESSAVG: 1143000 -17.4095 -29.9863 -28.7508 -30.1343 32.2064 -14.9816 -25.1361 -17.2064 -0.496031 TIMING: 1143000 CPU: 3611.73, 0.00316782/step Wall: 3611.73, 0.00316782/step, 3.39397 hours remaining, 232.878906 MB of memory in use. ENERGY: 1143000 4051.4737 20582.0830 14487.8935 253.5122 -203439.4166 2779.2610 0.0000 0.0000 52206.4090 -109078.7842 300.0310 -161285.1932 -108724.8329 299.9567 60.1798 96.2675 764321.9945 4.6335 4.7670 PRESSURE: 1143200 -620.514 -66.9214 -109.246 -66.9216 -99.1426 192.902 -109.246 192.902 -295.851 GPRESSURE: 1143200 -611.159 -28.1374 -147.956 -93.0098 -2.50067 121.423 -72.5363 157.814 -332.611 PRESSAVG: 1143200 -53.0827 -22.0083 0.689961 -22.0082 81.818 -24.1268 0.689905 -24.1268 27.9464 GPRESSAVG: 1143200 -52.3505 -21.8597 2.25361 -19.7186 81.8225 -26.3756 -1.51822 -23.4122 27.7276 TIMING: 1143200 CPU: 3612.37, 0.00319347/step Wall: 3612.37, 0.00319347/step, 3.42127 hours remaining, 232.878906 MB of memory in use. ENERGY: 1143200 4048.8264 20588.6604 14577.6769 214.4598 -203484.1150 2703.0288 0.0000 0.0000 52383.9857 -108967.4771 301.0515 -161351.4628 -108593.1347 299.8046 -338.5025 -315.4237 764497.2973 18.8939 19.0665 PRESSURE: 1143400 -134.161 0.515128 -105.788 0.515489 93.8102 25.4477 -105.788 25.4466 234.905 GPRESSURE: 1143400 -57.3672 29.4843 -17.8092 -81.2925 37.5959 29.5611 -34.9069 3.6099 264.761 PRESSAVG: 1143400 -93.9179 27.7532 -20.227 27.7533 55.9655 1.11375 -20.227 1.11371 -1.20448 GPRESSAVG: 1143400 -93.1997 28.0247 -19.5398 28.1348 55.0295 1.43504 -18.8177 1.08882 -1.22264 TIMING: 1143400 CPU: 3613, 0.00316973/step Wall: 3613, 0.00316973/step, 3.39566 hours remaining, 232.878906 MB of memory in use. ENERGY: 1143400 3935.0859 20718.4352 14519.5323 253.3358 -203585.5680 2837.2384 0.0000 0.0000 52221.0166 -109100.9239 300.1149 -161321.9405 -108738.7070 299.8443 64.8513 81.6632 763131.9303 -13.0523 -13.1310 PRESSURE: 1143600 -371.497 83.2815 173.727 83.2822 275.979 -232.816 173.727 -232.816 -309.811 GPRESSURE: 1143600 -269.954 148.53 232.374 32.6765 200.833 -186.074 122.94 -85.2246 -227.891 PRESSAVG: 1143600 -34.3116 29.3183 9.86459 29.3183 14.6926 -5.99834 9.86459 -5.99828 -5.87634 GPRESSAVG: 1143600 -34.3138 29.263 9.68657 27.9049 13.95 -4.82232 9.26228 -7.24124 -5.17734 TIMING: 1143600 CPU: 3613.64, 0.00317739/step Wall: 3613.64, 0.00317739/step, 3.40369 hours remaining, 232.878906 MB of memory in use. ENERGY: 1143600 4026.1892 20461.4882 14567.7028 237.9363 -203452.8036 2621.8594 0.0000 0.0000 52198.4223 -109339.2053 299.9851 -161537.6276 -108977.2498 299.4823 -135.1098 -99.0042 763291.1232 -8.4985 -8.5137 PRESSURE: 1143800 95.9614 80.1363 -200.164 80.1371 174.276 -80.5123 -200.164 -80.5124 97.3306 GPRESSURE: 1143800 69.6454 204.512 -207.852 85.5762 300.116 -13.5586 -168.91 -2.85851 76.5804 PRESSAVG: 1143800 -16.1712 54.6374 -3.64482 54.6374 -0.267833 48.7821 -3.64482 48.7821 -5.56136 GPRESSAVG: 1143800 -16.5405 53.7846 -2.88828 56.4304 0.800654 48.6755 -4.75992 50.7396 -5.3588 TIMING: 1143800 CPU: 3614.27, 0.00317858/step Wall: 3614.27, 0.00317858/step, 3.40479 hours remaining, 232.878906 MB of memory in use. ENERGY: 1143800 3953.0549 20465.7810 14510.9958 242.8462 -203763.3355 2988.4040 0.0000 0.0000 52395.8834 -109206.3703 301.1199 -161602.2537 -108831.9500 299.3944 122.5228 148.7806 762623.7844 -7.3335 -7.0329 PRESSURE: 1144000 255.656 -107.574 -114.121 -107.574 340.574 16.6965 -114.122 16.697 -78.4611 GPRESSURE: 1144000 313.337 36.3826 -109.54 0.823052 362.081 1.50663 -9.27053 -72.5945 -85.7465 PRESSAVG: 1144000 52.5591 50.2681 -11.5007 50.2682 -40.4849 8.37988 -11.5007 8.3799 28.8523 GPRESSAVG: 1144000 52.4521 52.2183 -12.7376 50.2659 -39.3735 8.40666 -11.3725 7.62593 27.9213 TIMING: 1144000 CPU: 3614.91, 0.00316146/step Wall: 3614.91, 0.00316146/step, 3.38628 hours remaining, 232.878906 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: 1144000 3985.0623 20661.6765 14505.2802 245.5051 -203502.6573 2923.0593 0.0000 0.0000 52041.9013 -109140.1727 299.0855 -161182.0739 -108772.0926 299.5453 172.5897 196.5572 762484.4711 13.6422 13.6666 PRESSURE: 1144200 -207.976 50.3213 -236.33 50.3214 -31.5189 -13.9137 -236.33 -13.9126 71.7229 GPRESSURE: 1144200 -223.099 -17.9352 -172.93 78.2898 -10.383 -10.4489 -111.895 -73.6513 139.901 PRESSAVG: 1144200 40.6316 46.233 9.05407 46.2331 -6.49408 -33.4056 9.05404 -33.4056 -13.8327 GPRESSAVG: 1144200 40.4777 44.2058 8.14957 44.7349 -6.17054 -33.7037 9.86617 -33.3115 -13.821 TIMING: 1144200 CPU: 3615.54, 0.00315617/step Wall: 3615.54, 0.00315618/step, 3.38044 hours remaining, 232.878906 MB of memory in use. ENERGY: 1144200 3993.9581 20529.9769 14453.3067 249.9185 -203091.1112 2671.7290 0.0000 0.0000 52033.1969 -109159.0251 299.0355 -161192.2220 -108798.8748 299.0777 -55.9239 -31.1936 763292.1502 6.7682 6.8287 LDB: ============= START OF LOAD BALANCING ============== 3628.07 LDB: ============== END OF LOAD BALANCING =============== 3628.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.07 LDB: ============= START OF LOAD BALANCING ============== 3628.39 LDB: Largest compute 7042 load 0.029596 is 15.1% of average load 0.195427 LDB: Average compute 0.004360 is 2.2% of average load 0.195427 LDB: TIME 3628.39 LOAD: AVG 0.195427 MAX 0.216365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.852 MB LDB: TIME 3628.39 LOAD: AVG 0.195427 MAX 0.216365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.852 MB LDB: TIME 3628.39 LOAD: AVG 0.195427 MAX 0.216365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.852 MB LDB: ============== END OF LOAD BALANCING =============== 3628.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.4 PRESSURE: 1144400 -389.631 32.4164 -268.975 32.4164 -299.417 -49.2646 -268.975 -49.2637 -140.171 GPRESSURE: 1144400 -367.023 170.794 -355.582 -23.1363 -253.445 -93.4176 -427.4 -71.2954 -113.719 PRESSAVG: 1144400 -83.2849 31.8959 15.3807 31.896 60.9984 -49.5726 15.3807 -49.5726 -20.98 GPRESSAVG: 1144400 -83.3691 31.3918 15.05 31.9553 60.0929 -48.2006 16.2449 -50.6112 -20.1119 TIMING: 1144400 CPU: 3616.18, 0.00321762/step Wall: 3616.18, 0.00321762/step, 3.44607 hours remaining, 234.160156 MB of memory in use. ENERGY: 1144400 3990.7064 20577.7982 14545.9710 219.0732 -203073.0089 2497.2552 0.0000 0.0000 52034.5031 -109207.7018 299.0430 -161242.2049 -108846.0324 298.9442 -276.4063 -244.7286 762941.2069 -14.4222 -14.4627 PRESSURE: 1144600 103.264 -38.7629 -161.185 -38.7622 145.266 25.3588 -161.185 25.3591 6.48097 GPRESSURE: 1144600 100.193 -8.59708 -95.1447 -35.4996 202.316 -43.2447 -19.4823 131.063 44.3538 PRESSAVG: 1144600 -35.7903 11.8416 -6.34646 11.8416 47.77 -49.8011 -6.34646 -49.8011 14.3368 GPRESSAVG: 1144600 -35.6231 12.4983 -6.02276 12.4186 47.5301 -51.3687 -5.10646 -50.2951 14.1801 TIMING: 1144600 CPU: 3616.81, 0.00314697/step Wall: 3616.81, 0.00314697/step, 3.37023 hours remaining, 234.160156 MB of memory in use. ENERGY: 1144600 3999.7621 20498.1613 14542.5647 258.6392 -203537.6335 2824.7581 0.0000 0.0000 52111.4334 -109302.3147 299.4851 -161413.7480 -108944.2903 299.4391 85.0038 115.6208 761226.4906 8.7722 8.6957 PRESSURE: 1144800 320.452 -38.1108 0.1123 -38.1113 80.9775 -9.21425 0.112249 -9.2139 349.287 GPRESSURE: 1144800 318.292 18.5503 22.1484 13.7226 133.781 -48.1306 79.3935 -84.6481 371.893 PRESSAVG: 1144800 -40.5607 8.47699 21.9385 8.47693 48.3899 -42.4085 21.9384 -42.4085 -12.924 GPRESSAVG: 1144800 -41.5018 8.49321 20.9887 8.81876 48.9852 -40.2308 20.3308 -42.0533 -13.3068 TIMING: 1144800 CPU: 3617.44, 0.00316518/step Wall: 3617.44, 0.00316518/step, 3.38956 hours remaining, 234.160156 MB of memory in use. ENERGY: 1144800 4046.5499 20560.6607 14503.0286 243.5283 -203431.9037 2817.2037 0.0000 0.0000 51965.8151 -109295.1174 298.6483 -161260.9325 -108936.4377 299.4215 250.2388 274.6553 761582.8685 -1.6983 -1.9411 PRESSURE: 1145000 21.7022 -104.355 114.237 -104.356 197.438 -100.331 114.236 -100.332 135.798 GPRESSURE: 1145000 21.7525 -34.6665 127.375 -113.139 208.167 -92.5988 128.989 22.4169 194.952 PRESSAVG: 1145000 -6.16826 -7.6596 -16.4883 -7.65946 53.3979 -31.3687 -16.4884 -31.3687 11.9506 GPRESSAVG: 1145000 -6.7835 -6.59329 -15.4199 -8.81235 53.7505 -34.474 -15.921 -29.3562 12.2838 TIMING: 1145000 CPU: 3618.08, 0.00319801/step Wall: 3618.08, 0.00319801/step, 3.42454 hours remaining, 234.363281 MB of memory in use. ENERGY: 1145000 4013.9999 20689.2808 14512.0988 244.5264 -203724.6311 3036.3540 0.0000 0.0000 51757.3762 -109470.9950 297.4504 -161228.3712 -109129.4777 299.1791 118.3128 141.6238 762003.6743 19.7267 19.7503 PRESSURE: 1145200 -70.5674 -43.415 -170.579 -43.4148 -179.571 -66.7186 -170.58 -66.7185 38.8937 GPRESSURE: 1145200 -50.1717 -121.451 -167.181 -10.0549 -119.625 -19.8609 -176.726 -8.70546 54.3262 PRESSAVG: 1145200 -92.3524 -6.74189 -19.353 -6.74193 56.0979 -86.1669 -19.353 -86.1669 -3.93984 GPRESSAVG: 1145200 -91.6865 -7.37412 -19.6233 -5.5562 56.0498 -83.9934 -20.6159 -86.357 -4.57201 TIMING: 1145200 CPU: 3618.71, 0.00315423/step Wall: 3618.71, 0.00315423/step, 3.37748 hours remaining, 234.363281 MB of memory in use. ENERGY: 1145200 3939.9940 20608.1841 14549.3681 243.7531 -203451.8966 2721.1181 0.0000 0.0000 51919.2335 -109470.2457 298.3805 -161389.4792 -109107.5162 299.0446 -70.4150 -38.4903 761397.7747 -13.3981 -13.4029 PRESSURE: 1145400 300.881 225.726 -149.46 225.727 144.726 -82.8665 -149.461 -82.8665 550.789 GPRESSURE: 1145400 316.801 109.831 -132.107 97.6827 150.851 -109.111 -152.863 13.0813 622.74 PRESSAVG: 1145400 -24.8178 47.8438 -6.35579 47.8438 53.5926 -44.3558 -6.35576 -44.3558 11.3878 GPRESSAVG: 1145400 -24.967 49.8071 -6.66361 44.8991 52.8355 -45.8803 -5.58527 -44.565 11.8203 TIMING: 1145400 CPU: 3619.35, 0.00315245/step Wall: 3619.35, 0.00315245/step, 3.3754 hours remaining, 234.429688 MB of memory in use. ENERGY: 1145400 3910.3657 20546.2435 14473.5757 254.9799 -203727.7228 2880.4416 0.0000 0.0000 52215.2376 -109446.8789 300.0817 -161662.1165 -109097.0907 299.0358 332.1321 363.4641 761695.1302 13.3875 13.2296 PRESSURE: 1145600 198.722 -32.3558 10.6614 -32.3559 109.713 -46.3777 10.6617 -46.3778 282.449 GPRESSURE: 1145600 202.341 -98.8469 20.2069 -92.399 174.91 -18.2968 -79.3168 -107.907 312.142 PRESSAVG: 1145600 -48.9346 -45.0676 -41.1683 -45.0677 69.8999 -33.3854 -41.1683 -33.3854 4.53004 GPRESSAVG: 1145600 -47.204 -47.2303 -40.4985 -44.2019 70.046 -31.6128 -41.8312 -32.1866 3.64905 TIMING: 1145600 CPU: 3619.98, 0.00316142/step Wall: 3619.98, 0.00316142/step, 3.38483 hours remaining, 234.429688 MB of memory in use. ENERGY: 1145600 4007.7537 20494.4185 14491.5467 230.8005 -203573.0332 2972.0028 0.0000 0.0000 52155.3544 -109221.1565 299.7375 -161376.5109 -108864.7803 298.7273 196.9614 229.7977 763486.6979 8.4985 8.8303 PRESSURE: 1145800 132.824 83.8252 -28.1484 83.8248 111.128 157.546 -28.1479 157.549 134.796 GPRESSURE: 1145800 164.429 185.526 -49.587 -20.6173 58.6594 121.314 -26.7153 236.199 237.709 PRESSAVG: 1145800 -12.2894 -36.8627 13.0695 -36.8626 20.7262 -66.5775 13.0695 -66.5774 13.0104 GPRESSAVG: 1145800 -14.517 -38.3366 12.0211 -33.7516 21.9571 -68.6057 14.6591 -69.4296 13.6423 TIMING: 1145800 CPU: 3620.61, 0.00315118/step Wall: 3620.61, 0.00315118/step, 3.37369 hours remaining, 234.429688 MB of memory in use. ENERGY: 1145800 4013.6079 20432.0560 14486.0518 259.9319 -203281.2495 2985.0372 0.0000 0.0000 51786.7595 -109317.8052 297.6192 -161104.5647 -108963.7233 299.3094 126.2493 153.5989 763499.6856 7.1491 7.0275 PRESSURE: 1146000 -145.646 -65.6917 -37.7343 -65.6918 255.013 -72.3133 -37.7332 -72.313 -18.5223 GPRESSURE: 1146000 -49.4694 39.6736 -60.7436 -101.881 250.397 -111.394 -36.3589 65.3009 -37.9578 PRESSAVG: 1146000 -2.05743 26.7793 -46.7907 26.7793 18.0164 4.14871 -46.7907 4.14869 24.7311 GPRESSAVG: 1146000 -1.17734 29.4661 -46.7866 24.7183 17.7123 5.69687 -46.0488 5.49799 23.9101 TIMING: 1146000 CPU: 3621.24, 0.00314776/step Wall: 3621.24, 0.00314776/step, 3.36986 hours remaining, 234.429688 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: 1146000 4035.0289 20367.1567 14506.6124 238.6545 -203070.1763 2327.6001 0.0000 0.0000 52049.4417 -109545.6819 299.1289 -161595.1236 -109182.1854 298.3996 30.2816 54.3233 762400.6357 13.5634 13.4817 PRESSURE: 1146200 -35.0732 -252.461 160.028 -252.462 -206.375 -139.194 160.029 -139.195 -136.843 GPRESSURE: 1146200 -14.1033 -59.7481 174.29 -183.877 -68.2343 -75.0957 142.587 -190.378 -191.637 PRESSAVG: 1146200 -29.8582 6.57024 -22.0663 6.57024 22.3428 10.9527 -22.0663 10.9529 -7.86318 GPRESSAVG: 1146200 -29.8409 5.05482 -23.0226 7.24747 21.4915 11.8301 -20.8239 10.6464 -6.87434 TIMING: 1146200 CPU: 3621.87, 0.00314604/step Wall: 3621.87, 0.00314604/step, 3.36783 hours remaining, 234.429688 MB of memory in use. ENERGY: 1146200 3956.3808 20570.1831 14479.2737 261.2906 -202749.3131 2080.8990 0.0000 0.0000 51898.3847 -109502.9011 298.2607 -161401.2858 -109144.2406 298.2763 -126.0972 -91.3247 760712.6433 -5.1262 -5.0746 PRESSURE: 1146400 14.6824 -103.633 -82.7095 -103.634 -6.96974 -179.632 -82.71 -179.631 -11.8051 GPRESSURE: 1146400 78.8083 -78.2935 -103.819 -142.974 64.8975 -81.8412 -132.425 -149.769 -64.9086 PRESSAVG: 1146400 -25.9196 19.571 -8.81483 19.571 20.0924 -25.391 -8.8149 -25.391 0.653601 GPRESSAVG: 1146400 -25.7471 19.1533 -6.24855 19.1754 22.1257 -27.1735 -11.6148 -26.1556 -1.31446 TIMING: 1146400 CPU: 3622.5, 0.00316804/step Wall: 3622.5, 0.00316804/step, 3.39121 hours remaining, 234.429688 MB of memory in use. ENERGY: 1146400 3971.3395 20543.5549 14488.9115 255.2659 -203566.4409 2784.2201 0.0000 0.0000 52191.6317 -109331.5174 299.9460 -161523.1490 -108976.4760 298.8396 -1.3641 26.2657 759739.5954 -1.7245 -1.6453 PRESSURE: 1146600 152.808 18.4528 174.67 18.4529 -96.3701 62.2844 174.671 62.2852 113.838 GPRESSURE: 1146600 119.035 58.9365 184.137 16.6876 66.5726 95.3971 63.9864 8.23121 73.982 PRESSAVG: 1146600 -5.78175 28.0918 11.1134 28.0919 68.0232 42.8449 11.1134 42.845 -1.75523 GPRESSAVG: 1146600 -5.60189 30.3296 10.3825 28.2953 67.0143 43.3192 10.7018 42.2249 -0.724763 TIMING: 1146600 CPU: 3623.13, 0.00316071/step Wall: 3623.13, 0.00316071/step, 3.38319 hours remaining, 234.429688 MB of memory in use. ENERGY: 1146600 4053.8868 20513.7422 14529.9684 255.9878 -203513.4787 2805.9448 0.0000 0.0000 52229.6741 -109124.2746 300.1647 -161353.9487 -108755.1405 299.8173 56.7586 86.5300 758355.6109 20.1621 20.2292 PRESSURE: 1146800 -491.133 55.0661 24.6911 55.0662 -262.924 44.2411 24.6926 44.2419 -116.186 GPRESSURE: 1146800 -464.84 49.8447 62.7373 -40.6764 -204.318 -50.3255 -5.80942 48.4722 -93.4779 PRESSAVG: 1146800 -17.8474 -31.838 -27.399 -31.838 11.8162 28.4871 -27.3991 28.4872 -2.99036 GPRESSAVG: 1146800 -17.3608 -32.7761 -28.2169 -33.8772 11.2641 28.1534 -26.3162 30.5428 -3.05742 TIMING: 1146800 CPU: 3623.77, 0.00316924/step Wall: 3623.77, 0.00316924/step, 3.39215 hours remaining, 234.429688 MB of memory in use. ENERGY: 1146800 4033.0126 20673.8505 14452.7358 237.4674 -202756.9628 2194.1435 0.0000 0.0000 52236.8179 -108928.9351 300.2057 -161165.7530 -108557.9744 300.6982 -290.0808 -254.2119 761298.0337 -3.0072 -3.0514 PRESSURE: 1147000 120.329 67.9404 -167.493 67.9404 -83.4981 -348.964 -167.493 -348.963 435.249 GPRESSURE: 1147000 60.5918 47.0702 -150.48 -0.251774 73.2096 -290.79 -147.903 -189.785 424.205 PRESSAVG: 1147000 -6.36141 -13.5618 35.9599 -13.5618 29.9124 -20.5443 35.96 -20.5443 2.98127 GPRESSAVG: 1147000 -6.79665 -15.3232 36.1225 -9.8237 31.354 -18.5234 35.8233 -22.2478 2.55027 TIMING: 1147000 CPU: 3624.39, 0.00314022/step Wall: 3624.39, 0.00314022/step, 3.36091 hours remaining, 234.429688 MB of memory in use. ENERGY: 1147000 3922.9995 20678.9620 14477.1769 230.9078 -203284.0041 2634.1484 0.0000 0.0000 52275.0616 -109064.7479 300.4255 -161339.8095 -108693.4839 300.0443 157.3599 186.0022 759401.2869 8.8441 9.0359 PRESSURE: 1147200 -311.927 14.3895 358.048 14.389 -202.648 -94.6064 358.048 -94.6061 162.032 GPRESSURE: 1147200 -299.243 -2.9182 416.459 3.75612 -98.0321 -137.341 226.55 2.4447 140.14 PRESSAVG: 1147200 -59.0722 63.6048 7.91573 63.6048 53.4164 -11.8149 7.91569 -11.8149 4.20712 GPRESSAVG: 1147200 -59.0961 65.1225 8.5994 60.8198 52.4808 -13.1295 6.31493 -9.53979 4.76856 TIMING: 1147200 CPU: 3625.03, 0.00315949/step Wall: 3625.03, 0.00315949/step, 3.38136 hours remaining, 234.429688 MB of memory in use. ENERGY: 1147200 4080.5695 20490.2754 14459.2361 260.6556 -203271.3278 2643.7300 0.0000 0.0000 52312.7149 -109024.1462 300.6419 -161336.8612 -108670.4336 300.3571 -117.5142 -85.7115 762353.8057 -0.4829 -0.6156 PRESSURE: 1147400 -102.665 46.6286 0.808211 46.6286 -277.407 -36.949 0.808066 -36.9468 -469.914 GPRESSURE: 1147400 8.2542 -5.20207 4.93527 -71.1397 -221.904 -25.0736 -23.1652 -44.9389 -515.32 PRESSAVG: 1147400 -53.8791 -25.9906 9.71916 -25.9906 64.096 -19.1011 9.71915 -19.1011 -6.53271 GPRESSAVG: 1147400 -53.5616 -26.092 8.98283 -25.0208 64.1077 -18.0338 12.7681 -21.8598 -6.78967 TIMING: 1147400 CPU: 3625.66, 0.00314521/step Wall: 3625.66, 0.00314521/step, 3.3659 hours remaining, 234.429688 MB of memory in use. ENERGY: 1147400 4024.6257 20485.8328 14463.4227 259.5745 -203053.7995 2422.1272 0.0000 0.0000 52261.4492 -109136.7674 300.3473 -161398.2166 -108774.4960 300.3211 -283.3286 -242.9897 760402.7844 1.2281 1.2521 PRESSURE: 1147600 -84.6443 88.2445 -138.378 88.2455 -72.4369 121.525 -138.379 121.526 471.198 GPRESSURE: 1147600 -102.902 92.1606 -155.158 111.425 -7.75017 86.3897 -25.5629 164.999 509.859 PRESSAVG: 1147600 -48.7958 -34.1196 30.7785 -34.1196 29.5562 -6.306 30.7785 -6.30597 -2.60269 GPRESSAVG: 1147600 -48.4534 -35.9765 32.1972 -32.3893 28.6121 -7.23861 31.078 -4.82422 -2.67913 TIMING: 1147600 CPU: 3626.28, 0.00314099/step Wall: 3626.28, 0.00314099/step, 3.36121 hours remaining, 234.429688 MB of memory in use. ENERGY: 1147600 3966.8941 20426.0549 14464.3043 243.7755 -202567.0886 2346.8380 0.0000 0.0000 51781.2728 -109337.9491 297.5877 -161119.2219 -108978.2283 299.3744 104.7057 133.0690 759966.7256 -7.2808 -7.5068 PRESSURE: 1147800 255.989 -115.083 81.4322 -115.084 -113.097 213.612 81.4322 213.613 416.502 GPRESSURE: 1147800 316.031 -33.013 71.8993 -111.284 -95.7619 245.763 91.1328 78.3737 423.007 PRESSAVG: 1147800 -53.9819 34.5317 49.4584 34.5318 73.2374 16.884 49.4583 16.884 27.6964 GPRESSAVG: 1147800 -53.9366 36.3943 49.1909 32.43 72.9882 16.4433 46.3858 15.8317 27.9638 TIMING: 1147800 CPU: 3626.91, 0.00315629/step Wall: 3626.91, 0.00315629/step, 3.37741 hours remaining, 234.429688 MB of memory in use. ENERGY: 1147800 3997.3346 20499.2226 14447.5142 248.5986 -203130.9108 2639.3515 0.0000 0.0000 51723.4046 -109575.4847 297.2551 -161298.8893 -109219.0746 298.6710 186.4647 214.4253 761893.9950 15.6507 15.6718 PRESSURE: 1148000 99.0909 -113.27 379.298 -113.27 155.88 71.2199 379.298 71.2196 62.0683 GPRESSURE: 1148000 154.253 -40.2971 323.098 35.0884 167.375 29.3863 378.969 143.308 75.271 PRESSAVG: 1148000 -19.8596 -2.81763 4.13988 -2.8177 6.97725 -21.0299 4.13992 -21.03 -0.714905 GPRESSAVG: 1148000 -19.1513 -4.10222 2.89066 -3.02254 7.20249 -21.1339 6.37053 -19.3829 -1.76568 TIMING: 1148000 CPU: 3627.55, 0.00315259/step Wall: 3627.55, 0.00315259/step, 3.37327 hours remaining, 234.429688 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: 1148000 3954.6305 20540.6042 14504.6308 255.8225 -203203.2142 2556.8466 0.0000 0.0000 51913.4925 -109477.1871 298.3476 -161390.6797 -109128.1040 298.5870 105.6797 132.3000 761959.6386 -4.5324 -4.5715 PRESSURE: 1148200 176.611 78.3627 101.761 78.3624 90.2372 9.23631 101.76 9.23678 -499.442 GPRESSURE: 1148200 178.529 62.8419 106.24 33.5825 111.787 35.1862 -66.1788 44.1912 -444.877 PRESSAVG: 1148200 -71.1003 -18.2214 -43.3322 -18.2214 46.6996 16.5336 -43.3322 16.5336 9.95535 GPRESSAVG: 1148200 -71.923 -18.5136 -43.9257 -19.7645 47.5545 18.6221 -42.9006 18.344 10.3731 TIMING: 1148200 CPU: 3628.18, 0.00317405/step Wall: 3628.18, 0.00317405/step, 3.39606 hours remaining, 234.429688 MB of memory in use. ENERGY: 1148200 3974.2531 20640.1380 14504.1467 241.7746 -203197.1349 2498.0857 0.0000 0.0000 51816.5264 -109522.2103 297.7903 -161338.7367 -109158.0030 298.9007 -77.5313 -51.5204 760613.0267 -4.8151 -4.6651 LDB: ============= START OF LOAD BALANCING ============== 3640.72 LDB: ============== END OF LOAD BALANCING =============== 3640.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.72 LDB: ============= START OF LOAD BALANCING ============== 3641.03 LDB: Largest compute 7053 load 0.030705 is 15.7% of average load 0.195453 LDB: Average compute 0.004388 is 2.2% of average load 0.195453 LDB: TIME 3641.04 LOAD: AVG 0.195453 MAX 0.214252 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.766 MB LDB: TIME 3641.04 LOAD: AVG 0.195453 MAX 0.214252 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: TIME 3641.04 LOAD: AVG 0.195453 MAX 0.214252 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.766 MB LDB: ============== END OF LOAD BALANCING =============== 3641.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3641.05 PRESSURE: 1148400 -317.431 31.8388 -162.334 31.8386 204.367 -37.9661 -162.334 -37.9666 -36.7779 GPRESSURE: 1148400 -237.395 68.8817 -125.327 31.8423 193.574 -56.393 -186.695 29.8332 -40.7866 PRESSAVG: 1148400 44.3218 -9.42119 -32.2014 -9.42115 -9.04663 61.3513 -32.2014 61.3513 -14.0749 GPRESSAVG: 1148400 43.7701 -9.61084 -30.5205 -7.89341 -7.89204 59.5926 -32.1631 59.0812 -14.85 TIMING: 1148400 CPU: 3628.83, 0.00324457/step Wall: 3628.83, 0.00324457/step, 3.47133 hours remaining, 234.015625 MB of memory in use. ENERGY: 1148400 3959.9845 20504.4457 14476.5100 240.6852 -203195.5677 2444.1427 0.0000 0.0000 52030.7251 -109539.0745 299.0213 -161569.7996 -109169.9425 298.5971 -49.9474 -28.2023 760539.5211 7.0667 7.0094 PRESSURE: 1148600 -286.124 130.392 174.074 130.391 -64.6694 69.9085 174.074 69.9091 -163.077 GPRESSURE: 1148600 -222.085 20.2426 106.882 139.101 -39.3105 11.0849 314.592 111.8 -167.492 PRESSAVG: 1148600 -47.09 31.5279 -28.8065 31.5278 39.2373 -0.636782 -28.8064 -0.636834 -7.51655 GPRESSAVG: 1148600 -45.4686 34.0258 -30.594 31.627 36.8833 1.68757 -29.0255 -1.93769 -7.35922 TIMING: 1148600 CPU: 3629.46, 0.00315406/step Wall: 3629.46, 0.00315406/step, 3.37431 hours remaining, 234.421875 MB of memory in use. ENERGY: 1148600 4035.4575 20366.1089 14419.7102 262.0924 -202974.9531 2465.9235 0.0000 0.0000 51822.0083 -109603.6525 297.8218 -161425.6607 -109247.2240 298.3983 -171.2902 -142.9625 762707.2023 -5.1231 -5.3149 PRESSURE: 1148800 -10.918 297.626 28.9608 297.626 144.648 -124.867 28.9607 -124.869 -114.423 GPRESSURE: 1148800 80.0006 225.493 42.639 204.167 95.1035 -102.464 -117.262 -130.011 -79.5359 PRESSAVG: 1148800 14.9171 26.3169 -17.8918 26.3168 19.6242 33.2956 -17.8919 33.2956 1.80281 GPRESSAVG: 1148800 13.4913 23.7904 -16.2086 27.913 19.9127 31.3847 -18.7708 35.5291 2.55201 TIMING: 1148800 CPU: 3630.09, 0.00314047/step Wall: 3630.09, 0.00314047/step, 3.3596 hours remaining, 234.421875 MB of memory in use. ENERGY: 1148800 4030.6100 20670.0730 14497.1710 251.1982 -203523.3777 2666.3040 0.0000 0.0000 51973.9088 -109434.1127 298.6948 -161408.0214 -109081.7314 298.3265 6.4356 31.8560 761142.7912 12.1147 11.9853 PRESSURE: 1149000 -477.873 16.0977 -90.7359 16.0975 81.4574 368.439 -90.7353 368.441 -81.8051 GPRESSURE: 1149000 -411.801 43.9056 -146.922 58.5406 52.6924 388.101 -189.149 288.206 -34.9906 PRESSAVG: 1149000 -41.051 78.4703 -74.1153 78.4703 29.8014 27.0422 -74.1153 27.0422 14.499 GPRESSAVG: 1149000 -40.5315 78.3894 -73.7968 78.3182 30.3698 27.4997 -75.6672 25.8163 13.6769 TIMING: 1149000 CPU: 3630.72, 0.00314855/step Wall: 3630.72, 0.00314855/step, 3.36808 hours remaining, 234.421875 MB of memory in use. ENERGY: 1149000 4029.9790 20626.7504 14455.5160 271.2449 -203151.2169 2389.1186 0.0000 0.0000 52001.2758 -109377.3321 298.8520 -161378.6079 -109017.2728 298.8642 -159.4068 -131.3663 763210.5857 1.0831 1.1717 PRESSURE: 1149200 272.486 149.013 -109.492 149.012 246.226 95.4977 -109.492 95.4977 45.3105 GPRESSURE: 1149200 323.573 16.506 -200.289 71.5413 287.441 129.046 -33.2612 41.8504 35.7245 PRESSAVG: 1149200 -3.55364 32.9157 40.5864 32.9157 -13.3821 -0.894908 40.5863 -0.894867 16.4215 GPRESSAVG: 1149200 -3.3266 34.1992 38.4231 29.4937 -14.296 -1.12707 41.2499 0.866507 17.1604 TIMING: 1149200 CPU: 3631.35, 0.00314351/step Wall: 3631.35, 0.00314351/step, 3.3625 hours remaining, 234.421875 MB of memory in use. ENERGY: 1149200 3956.5422 20706.4102 14404.5657 235.4724 -203946.9905 2960.9197 0.0000 0.0000 52171.3395 -109511.7408 299.8294 -161683.0803 -109142.7326 298.9880 188.0076 215.5794 761038.0933 -0.1714 -0.1541 PRESSURE: 1149400 -67.6029 86.515 -132.796 86.5145 -267.029 61.6433 -132.796 61.6432 222.134 GPRESSURE: 1149400 -46.5769 181.316 -61.5702 162.537 -183.702 -9.66525 -144.503 9.8751 186.821 PRESSAVG: 1149400 5.4807 8.79351 16.829 8.79349 -10.62 -13.6048 16.829 -13.6049 5.19322 GPRESSAVG: 1149400 4.53955 9.14196 19.3828 11.9694 -10.0235 -14.0792 17.4872 -15.4108 5.28352 TIMING: 1149400 CPU: 3631.98, 0.00316123/step Wall: 3631.98, 0.00316123/step, 3.38128 hours remaining, 234.421875 MB of memory in use. ENERGY: 1149400 4000.1360 20562.8660 14429.3632 255.0280 -203267.0181 2556.1732 0.0000 0.0000 52016.9610 -109446.4907 298.9422 -161463.4517 -109091.6109 299.2287 -37.4994 -14.4860 761221.4980 0.0180 -0.0668 PRESSURE: 1149600 35.5646 -162.396 42.7716 -162.396 -118.146 -45.8529 42.7709 -45.8518 -172.011 GPRESSURE: 1149600 -21.4611 -82.3735 -6.71981 -134.035 -42.0833 -45.3153 81.4043 153.184 -113.042 PRESSAVG: 1149600 -2.58909 59.3252 4.50413 59.3251 24.2784 16.8418 4.50411 16.8418 9.17188 GPRESSAVG: 1149600 -1.97393 58.0218 2.20192 58.209 24.0832 17.6231 5.71148 17.7905 8.79005 TIMING: 1149600 CPU: 3632.61, 0.00316353/step Wall: 3632.61, 0.00316353/step, 3.38358 hours remaining, 234.421875 MB of memory in use. ENERGY: 1149600 4005.9534 20664.9833 14426.7198 238.3891 -203097.3110 2534.4186 0.0000 0.0000 51979.2434 -109247.6034 298.7254 -161226.8468 -108885.4053 298.5644 -84.8641 -58.8620 762934.9092 10.2871 10.2998 PRESSURE: 1149800 35.889 156.93 -181.898 156.929 175.085 34.2167 -181.898 34.2181 -65.0914 GPRESSURE: 1149800 123.705 111.856 -215.112 126.512 218.594 -31.2299 -146.247 97.0341 -100.833 PRESSAVG: 1149800 -48.1447 20.6629 3.88236 20.6628 66.1493 1.44611 3.8823 1.44606 1.41092 GPRESSAVG: 1149800 -48.9554 20.9927 4.23072 23.3442 66.7291 0.880831 4.08119 2.3743 1.34018 TIMING: 1149800 CPU: 3633.24, 0.0031359/step Wall: 3633.24, 0.0031359/step, 3.35384 hours remaining, 234.421875 MB of memory in use. ENERGY: 1149800 3962.8167 20592.4405 14435.8616 258.4430 -203301.8517 2641.5734 0.0000 0.0000 52125.0991 -109285.6175 299.5637 -161410.7165 -108915.7756 299.3564 48.6274 80.4887 760720.9252 6.4718 6.3713 PRESSURE: 1150000 -33.3545 434.908 -178.859 434.907 299.839 227.413 -178.86 227.412 -71.8247 GPRESSURE: 1150000 32.2703 367.695 -133.34 319.344 247.64 153.827 -342.528 61.9641 17.7762 PRESSAVG: 1150000 -6.44127 65.1439 -6.19879 65.1439 7.24097 -12.9367 -6.1987 -12.9367 11.9446 GPRESSAVG: 1150000 -5.7998 66.0849 -6.31915 62.2199 6.9048 -11.5279 -6.65272 -13.5441 11.7738 TIMING: 1150000 CPU: 3633.86, 0.00312982/step Wall: 3633.86, 0.00312982/step, 3.34717 hours remaining, 234.421875 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: 1150000 3969.7095 20621.9734 14498.5633 240.7477 -203496.9729 2719.7512 0.0000 0.0000 52061.1829 -109385.0449 299.1963 -161446.2278 -109021.4799 299.0531 64.8868 99.2287 761175.7208 4.2481 4.2929 PRESSURE: 1150200 -117.065 -43.6667 107.183 -43.6664 -128.787 104.835 107.183 104.836 -257.927 GPRESSURE: 1150200 -113.009 -3.80866 80.9449 -12.1007 -84.7653 163.548 189.984 219.444 -222.402 PRESSAVG: 1150200 -22.853 56.6147 10.7183 56.6147 24.5394 0.0497512 10.7183 0.0497941 -7.97984 GPRESSAVG: 1150200 -22.6773 54.7661 12.6779 57.8794 23.8249 -1.60988 10.9317 -2.84657 -7.26469 TIMING: 1150200 CPU: 3634.49, 0.00313696/step Wall: 3634.49, 0.00313696/step, 3.35463 hours remaining, 234.421875 MB of memory in use. ENERGY: 1150200 3947.6929 20518.6611 14539.1622 256.6523 -203244.3674 2641.7931 0.0000 0.0000 52113.4889 -109226.9168 299.4969 -161340.4058 -108873.4086 299.5857 -167.9266 -140.0588 763211.6445 -2.0978 -2.0390 PRESSURE: 1150400 -420.325 -52.7887 15.7327 -52.7888 -550.561 164.239 15.7329 164.24 -280.405 GPRESSURE: 1150400 -320.263 5.169 -35.8476 -76.9322 -559.632 179.325 103.572 123.933 -272.283 PRESSAVG: 1150400 31.9824 13.4291 -53.7285 13.4291 21.4042 43.08 -53.7284 43.08 -25.1352 GPRESSAVG: 1150400 32.6253 14.8016 -55.3949 13.4041 21.7969 43.4887 -52.7916 42.4558 -26.6408 TIMING: 1150400 CPU: 3635.12, 0.00316454/step Wall: 3635.12, 0.00316454/step, 3.38395 hours remaining, 234.421875 MB of memory in use. ENERGY: 1150400 4048.5233 20816.1770 14514.2306 255.7286 -203128.6639 2373.3439 0.0000 0.0000 51950.9137 -109169.7468 298.5626 -161120.6605 -108806.6002 299.2182 -417.0973 -384.0592 763583.3788 9.4172 9.2605 PRESSURE: 1150600 -18.4272 -90.6638 -10.6846 -90.664 31.3649 -133.014 -10.6841 -133.014 345.481 GPRESSURE: 1150600 -76.5962 -19.549 60.1434 -77.7706 150.167 -73.4885 -41.2937 -131.962 387.825 PRESSAVG: 1150600 -56.3321 41.8178 -6.68152 41.8178 12.0277 30.6655 -6.6815 30.6656 5.33945 GPRESSAVG: 1150600 -58.3179 41.5302 -7.20186 42.1267 12.7206 30.7833 -7.844 34.3131 6.91412 TIMING: 1150600 CPU: 3635.76, 0.00316983/step Wall: 3635.76, 0.00316983/step, 3.38943 hours remaining, 234.421875 MB of memory in use. ENERGY: 1150600 3909.2528 20575.0332 14530.9722 247.1861 -203380.0222 2807.6739 0.0000 0.0000 51931.0868 -109378.8171 298.4487 -161309.9039 -109011.1253 299.6091 119.4728 153.7985 763497.1354 -12.9883 -12.8944 PRESSURE: 1150800 -170.738 71.1407 73.5378 71.1415 -336.504 -7.06818 73.5373 -7.06848 -451.386 GPRESSURE: 1150800 -196.94 73.0805 120.447 127.795 -271.888 -84.6085 96.6713 -18.9259 -414.212 PRESSAVG: 1150800 24.524 39.7473 -23.7051 39.7473 -16.7799 43.5171 -23.7051 43.517 -14.8316 GPRESSAVG: 1150800 24.3534 39.4879 -23.3537 39.065 -16.4013 44.0897 -23.9306 40.8495 -15.3838 TIMING: 1150800 CPU: 3636.39, 0.00316271/step Wall: 3636.39, 0.00316271/step, 3.38163 hours remaining, 234.421875 MB of memory in use. ENERGY: 1150800 4078.2406 20556.7520 14458.3682 249.9581 -203070.5381 2283.3539 0.0000 0.0000 51970.6945 -109473.1708 298.6763 -161443.8654 -109104.8186 299.4271 -319.5428 -294.3466 763519.1388 -2.3625 -2.4772 PRESSURE: 1151000 -146.222 42.7733 -66.2798 42.7731 -144.146 -85.3003 -66.2801 -85.3 -141.262 GPRESSURE: 1151000 -51.0035 -13.6448 -46.1392 55.783 -161.822 -33.9204 -102.497 -18.5757 -142.233 PRESSAVG: 1151000 24.2016 31.4499 -30.5652 31.4499 8.87358 -8.57186 -30.5653 -8.572 12.009 GPRESSAVG: 1151000 25.3765 31.7484 -32.6485 31.8922 9.27133 -9.61304 -28.1676 -6.86988 11.0615 TIMING: 1151000 CPU: 3637.02, 0.00315835/step Wall: 3637.02, 0.00315835/step, 3.3768 hours remaining, 234.421875 MB of memory in use. ENERGY: 1151000 3940.4545 20700.9886 14486.1312 251.3739 -203606.2189 2700.4176 0.0000 0.0000 51881.3040 -109645.5490 298.1626 -161526.8530 -109293.4372 299.1702 -143.8770 -118.3528 762072.6893 15.0280 15.2364 PRESSURE: 1151200 26.8465 -111.388 163.184 -111.389 -1.18472 53.9447 163.184 53.9446 -43.8554 GPRESSURE: 1151200 12.8642 -157.358 182.391 -51.6055 53.8019 -1.16165 163.151 42.0504 3.07048 PRESSAVG: 1151200 36.1086 7.80009 44.8354 7.80007 5.43832 -57.2394 44.8354 -57.2394 10.5057 GPRESSAVG: 1151200 36.3573 7.85482 47.1485 9.31972 4.38501 -58.1707 41.6638 -58.294 10.529 TIMING: 1151200 CPU: 3637.65, 0.00315324/step Wall: 3637.65, 0.00315324/step, 3.37116 hours remaining, 234.421875 MB of memory in use. ENERGY: 1151200 3929.7850 20383.6435 14461.5346 251.1070 -203576.0347 2801.0018 0.0000 0.0000 52036.5881 -109712.3747 299.0550 -161748.9629 -109343.0883 298.6459 -6.0645 23.2455 763331.0631 17.3509 17.0904 PRESSURE: 1151400 -238.775 19.8043 -238.822 19.8034 -471.875 219.042 -238.822 219.04 -160.185 GPRESSURE: 1151400 -147.114 -22.245 -246.426 101.488 -484.482 221.308 -161.146 196.142 -153.933 PRESSAVG: 1151400 55.3429 -11.3625 17.2772 -11.3625 -31.611 -9.61148 17.2773 -9.61153 26.4673 GPRESSAVG: 1151400 54.2324 -10.5627 16.4352 -11.4585 -30.409 -7.49338 17.1838 -8.88896 26.2375 TIMING: 1151400 CPU: 3638.28, 0.00314311/step Wall: 3638.28, 0.00314311/step, 3.36016 hours remaining, 234.421875 MB of memory in use. ENERGY: 1151400 4063.5620 20643.9692 14529.4453 230.3252 -203216.3179 2309.9826 0.0000 0.0000 51792.1518 -109646.8819 297.6502 -161439.0337 -109287.8104 298.8589 -290.2783 -261.8432 761591.7391 16.7331 16.6870 PRESSURE: 1151600 -186.742 -219.298 -69.1904 -219.298 -197.788 -82.4488 -69.1901 -82.4498 -266.842 GPRESSURE: 1151600 -175.486 -222.32 -9.76574 -256.697 -164.246 -41.9848 -1.72887 7.26268 -214.557 PRESSAVG: 1151600 54.7863 32.4736 25.1329 32.4735 1.25178 17.8977 25.1329 17.8977 -5.74132 GPRESSAVG: 1151600 54.72 31.2678 25.6956 31.1648 1.26749 17.0029 26.2041 18.5356 -5.95 TIMING: 1151600 CPU: 3638.91, 0.00313243/step Wall: 3638.91, 0.00313243/step, 3.34857 hours remaining, 234.421875 MB of memory in use. ENERGY: 1151600 4006.2621 20441.2180 14445.2890 256.1039 -202872.6734 2318.6027 0.0000 0.0000 51766.4476 -109638.7501 297.5025 -161405.1977 -109283.3415 298.6005 -217.1242 -184.7631 762241.7195 16.7656 16.6792 PRESSURE: 1151800 -125.629 132.686 255.301 132.686 -67.6971 212.673 255.302 212.674 85.7149 GPRESSURE: 1151800 -81.7675 181.935 203.835 174.542 31.1586 151.274 162.979 238.399 38.7661 PRESSAVG: 1151800 39.7004 9.12053 22.8975 9.12055 -32.7572 19.8138 22.8976 19.8139 -7.2868 GPRESSAVG: 1151800 40.0011 9.2948 23.1563 10.4826 -34.1276 17.1859 22.6155 19.9252 -6.32467 TIMING: 1151800 CPU: 3639.54, 0.0031384/step Wall: 3639.54, 0.0031384/step, 3.35477 hours remaining, 234.421875 MB of memory in use. ENERGY: 1151800 3949.4499 20663.4146 14396.1415 251.7093 -203669.5627 2808.6538 0.0000 0.0000 52032.3158 -109567.8778 299.0304 -161600.1936 -109204.7382 299.0354 -35.8704 -3.9476 761125.0039 -0.1145 -0.1504 PRESSURE: 1152000 98.8882 -165.097 -62.1447 -165.097 390.358 33.0481 -62.1461 33.0481 -142.792 GPRESSURE: 1152000 108.966 -190.638 -28.3971 -134.232 408.515 -10.2112 94.9066 -90.4513 -89.5257 PRESSAVG: 1152000 -33.1908 36.256 -4.35682 36.256 15.6239 -40.0854 -4.35681 -40.0855 3.59642 GPRESSAVG: 1152000 -33.896 37.5923 -3.94674 33.4114 16.731 -38.1708 -6.38882 -41.3585 3.51065 TIMING: 1152000 CPU: 3640.16, 0.00314043/step Wall: 3640.16, 0.00314043/step, 3.35677 hours remaining, 234.421875 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: 1152000 3985.2458 20410.3270 14492.5145 227.9505 -203503.6111 2875.2944 0.0000 0.0000 52014.4402 -109497.8387 298.9277 -161512.2789 -109126.5328 299.0898 115.4848 142.6516 763162.6334 -4.6568 -4.5515 PRESSURE: 1152200 -99.2607 -10.5994 -105.523 -10.598 -17.3129 -160.225 -105.523 -160.225 -209.126 GPRESSURE: 1152200 -69.1372 76.8503 -58.5981 12.5657 66.3437 -142.216 -216.184 -135.064 -233.601 PRESSAVG: 1152200 5.49067 25.6746 43.0809 25.6746 -18.3237 3.24821 43.081 3.24825 -3.98639 GPRESSAVG: 1152200 7.19372 25.1497 43.9804 28.5597 -18.7227 2.21035 45.0196 5.59807 -4.1658 TIMING: 1152200 CPU: 3640.79, 0.00313018/step Wall: 3640.79, 0.00313018/step, 3.34564 hours remaining, 234.421875 MB of memory in use. ENERGY: 1152200 4087.7135 20571.0647 14524.1467 250.2548 -203838.0514 2876.6834 0.0000 0.0000 52091.0634 -109437.1250 299.3681 -161528.1884 -109081.9977 299.1445 -108.5665 -78.7983 762689.8787 -5.6065 -5.2316 LDB: ============= START OF LOAD BALANCING ============== 3653.32 LDB: ============== END OF LOAD BALANCING =============== 3653.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3653.32 LDB: ============= START OF LOAD BALANCING ============== 3653.64 LDB: Largest compute 7053 load 0.029419 is 15.1% of average load 0.195342 LDB: Average compute 0.004375 is 2.2% of average load 0.195342 LDB: TIME 3653.64 LOAD: AVG 0.195342 MAX 0.213311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.832 MB LDB: TIME 3653.64 LOAD: AVG 0.195342 MAX 0.213311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.898 MB LDB: TIME 3653.64 LOAD: AVG 0.195342 MAX 0.213311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.898 MB LDB: ============== END OF LOAD BALANCING =============== 3653.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3653.65 PRESSURE: 1152400 12.944 -113.566 -47.2038 -113.565 299.301 35.168 -47.2038 35.1668 -30.0315 GPRESSURE: 1152400 76.5786 -63.1454 -81.3711 -149.259 327.742 116.457 -81.0587 -37.0509 -24.9627 PRESSAVG: 1152400 6.99955 -5.02197 37.532 -5.02197 -15.1297 0.930618 37.5321 0.930581 -31.2862 GPRESSAVG: 1152400 8.50756 -3.49636 37.148 -8.71067 -15.369 1.57648 38.0964 -1.46919 -32.5721 TIMING: 1152400 CPU: 3641.43, 0.00320797/step Wall: 3641.43, 0.00320797/step, 3.42861 hours remaining, 234.019531 MB of memory in use. ENERGY: 1152400 3972.4327 20424.9291 14458.5761 236.8427 -203410.9411 2588.0770 0.0000 0.0000 52183.1701 -109546.9135 299.8974 -161730.0836 -109181.3548 299.2509 94.0710 126.4527 761653.6053 -13.1388 -13.1445 PRESSURE: 1152600 -0.873059 231.117 -163.657 231.116 0.968873 -170.369 -163.657 -170.369 -85.1631 GPRESSURE: 1152600 68.915 117.835 -194.27 248.822 -54.1317 -159.903 -182.078 -15.8351 -46.1095 PRESSAVG: 1152600 38.5258 -13.5612 27.7768 -13.5613 9.25067 -24.4248 27.7768 -24.4248 14.1463 GPRESSAVG: 1152600 36.1693 -14.6717 27.6247 -11.7651 9.54913 -24.8876 28.8966 -22.6603 15.9963 TIMING: 1152600 CPU: 3642.06, 0.00314123/step Wall: 3642.06, 0.00314123/step, 3.3571 hours remaining, 234.222656 MB of memory in use. ENERGY: 1152600 4017.6616 20518.1400 14497.1110 257.5241 -203089.3988 2284.7322 0.0000 0.0000 52088.0617 -109426.1683 299.3508 -161514.2299 -109063.9222 299.0630 -28.3558 -10.4421 760347.7314 20.6409 20.5716 PRESSURE: 1152800 212.678 82.4898 206.625 82.4895 -540.237 218.016 206.626 218.016 126.287 GPRESSURE: 1152800 211.32 87.5893 335.793 119.813 -424.673 195.444 142.746 173.504 73.7263 PRESSAVG: 1152800 34.5448 22.5014 -16.0369 22.5014 -56.815 -11.8132 -16.0369 -11.8132 15.7704 GPRESSAVG: 1152800 35.1472 23.0326 -15.2782 21.6562 -57.2501 -12.1186 -17.091 -12.591 15.4968 TIMING: 1152800 CPU: 3642.69, 0.00313435/step Wall: 3642.69, 0.00313435/step, 3.34958 hours remaining, 234.222656 MB of memory in use. ENERGY: 1152800 3975.9877 20743.7484 14494.1021 248.6681 -203292.4894 2353.9973 0.0000 0.0000 52224.4798 -109251.5059 300.1348 -161475.9857 -108897.2139 298.9821 -67.0906 -46.5421 761942.5083 -2.1666 -2.2020 PRESSURE: 1153000 -135.728 75.0631 -225.407 75.0636 -51.2436 176.218 -225.407 176.218 142.145 GPRESSURE: 1153000 -152.895 81.6756 -206.871 99.4563 -33.5105 215.596 -222.633 106.874 243.327 PRESSAVG: 1153000 79.8401 23.5955 -45.4131 23.5954 -60.5032 -44.7909 -45.413 -44.7909 -8.15234 GPRESSAVG: 1153000 79.689 22.7298 -45.7045 24.2112 -60.6876 -43.7919 -45.1971 -45.595 -7.65206 TIMING: 1153000 CPU: 3643.32, 0.00314207/step Wall: 3643.32, 0.00314207/step, 3.35765 hours remaining, 234.222656 MB of memory in use. ENERGY: 1153000 3925.7378 20514.4509 14455.7134 254.6040 -202853.8731 2282.2917 0.0000 0.0000 51854.2682 -109566.8071 298.0072 -161421.0753 -109204.9663 299.3367 -14.9421 18.9737 762360.3670 3.7282 3.7831 PRESSURE: 1153200 140.698 -62.9217 44.9715 -62.9215 237.021 63.2442 44.9718 63.2436 -209.391 GPRESSURE: 1153200 212.158 -3.31748 39.8217 -36.3388 321.68 53.0208 281.136 138.705 -273.214 PRESSAVG: 1153200 38.146 39.8465 42.6117 39.8464 -37.8981 8.24612 42.6117 8.2462 18.0194 GPRESSAVG: 1153200 37.6616 39.7795 39.7856 40.7941 -36.5116 9.83585 45.7669 8.89457 16.9455 TIMING: 1153200 CPU: 3643.94, 0.00314415/step Wall: 3643.94, 0.00314415/step, 3.3597 hours remaining, 234.222656 MB of memory in use. ENERGY: 1153200 4009.5601 20549.6381 14442.5589 230.6894 -203558.4169 2744.4008 0.0000 0.0000 51998.5134 -109583.0562 298.8362 -161581.5696 -109211.6229 299.0452 56.1094 86.8746 762140.9785 6.0891 6.0318 PRESSURE: 1153400 -46.3612 0.332281 317.501 0.332332 -128.449 -29.5206 317.501 -29.5204 -144.087 GPRESSURE: 1153400 -39.7125 11.3935 320.559 -44.2152 -72.9568 -104.27 227.353 -30.8806 -131.165 PRESSAVG: 1153400 32.1641 8.55355 71.2906 8.55348 -19.4762 15.6228 71.2907 15.6228 14.6756 GPRESSAVG: 1153400 32.163 9.1188 73.1625 6.50589 -19.6068 14.5047 68.4028 16.0089 14.6034 TIMING: 1153400 CPU: 3644.57, 0.00315125/step Wall: 3644.57, 0.00315125/step, 3.36711 hours remaining, 234.222656 MB of memory in use. ENERGY: 1153400 3987.9877 20299.2849 14537.2951 243.6446 -203367.2617 2592.3006 0.0000 0.0000 52320.5842 -109386.1646 300.6871 -161706.7488 -109029.5272 299.3975 -106.2989 -81.2781 761342.4771 9.1212 9.0532 PRESSURE: 1153600 -142.81 -187.763 -244.232 -187.763 130.962 -28.1246 -244.233 -28.125 61.8473 GPRESSURE: 1153600 -25.034 -181.417 -290.882 -75.6766 121.605 80.7001 -202.625 18.8016 52.8143 PRESSAVG: 1153600 -40.3135 -4.15898 39.6047 -4.15896 5.30542 -16.1723 39.6048 -16.1723 -15.1265 GPRESSAVG: 1153600 -39.0847 -6.24763 39.4317 -3.23045 4.23275 -15.6315 39.2754 -18.4383 -15.5142 TIMING: 1153600 CPU: 3645.2, 0.00314368/step Wall: 3645.2, 0.00314368/step, 3.35885 hours remaining, 234.222656 MB of memory in use. ENERGY: 1153600 3994.1143 20674.2286 14423.4622 241.8761 -202981.6952 2285.0891 0.0000 0.0000 52106.3355 -109256.5894 299.4558 -161362.9249 -108905.6977 299.7330 16.6664 49.7949 761191.7677 -16.7115 -16.7887 PRESSURE: 1153800 120.363 -179.757 -119.283 -179.757 -10.8831 -152.352 -119.283 -152.352 509.95 GPRESSURE: 1153800 205.186 -175.181 -48.0638 -145.346 27.7388 -212.074 -212.64 -77.2036 471.871 PRESSAVG: 1153800 39.7553 41.2233 28.0844 41.2234 -17.6539 -17.2854 28.0844 -17.2854 -6.29089 GPRESSAVG: 1153800 39.4569 42.4315 27.2192 42.3291 -16.76 -16.9649 30.5655 -16.4131 -6.82946 TIMING: 1153800 CPU: 3645.83, 0.00315239/step Wall: 3645.83, 0.00315239/step, 3.36798 hours remaining, 234.222656 MB of memory in use. ENERGY: 1153800 3928.2313 20604.8541 14450.4324 224.2301 -203353.9690 2829.4269 0.0000 0.0000 52004.4577 -109312.3367 298.8703 -161316.7943 -108956.5994 299.6676 206.4768 234.9318 763376.1577 5.2702 5.2891 PRESSURE: 1154000 141.235 -28.9491 -25.687 -28.9489 -315.944 -25.1111 -25.6868 -25.1114 187.705 GPRESSURE: 1154000 158.159 -39.8896 -81.7188 52.9024 -152.743 34.89 -121.851 28.2967 116.751 PRESSAVG: 1154000 8.29804 39.8898 6.68242 39.8898 4.93287 43.8864 6.68229 43.8865 23.0927 GPRESSAVG: 1154000 8.2729 39.4299 7.3095 38.7256 4.42833 42.2943 4.74134 44.0128 23.5811 TIMING: 1154000 CPU: 3646.46, 0.00314571/step Wall: 3646.46, 0.00314571/step, 3.36066 hours remaining, 234.222656 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: 1154000 3950.3475 20325.3605 14489.1641 234.0599 -203091.4180 2733.8849 0.0000 0.0000 51895.8538 -109462.7475 298.2462 -161358.6012 -109094.5532 299.0649 4.3321 40.7223 762090.7193 12.1079 12.0941 PRESSURE: 1154200 494.881 87.6435 145.666 87.6439 -126.223 75.8523 145.666 75.853 191.326 GPRESSURE: 1154200 502.554 24.6346 139.517 117.329 -34.1699 31.0999 211.92 85.3641 175.994 PRESSAVG: 1154200 64.2512 -25.3246 -11.9796 -25.3247 -29.1914 12.1465 -11.9796 12.1466 10.6254 GPRESSAVG: 1154200 62.8963 -24.5345 -13.4161 -26.6749 -29.4999 13.4869 -9.59356 10.8949 12.2099 TIMING: 1154200 CPU: 3647.1, 0.00317978/step Wall: 3647.1, 0.00317978/step, 3.39689 hours remaining, 234.222656 MB of memory in use. ENERGY: 1154200 3987.7186 20489.4887 14446.4177 254.9179 -203544.5198 3021.0780 0.0000 0.0000 51997.8876 -109347.0113 298.8326 -161344.8988 -108995.8250 299.0127 186.6611 214.7925 761757.6694 15.2284 15.2021 PRESSURE: 1154400 136.727 56.1596 -89.6403 56.1596 -135.266 -254.721 -89.6394 -254.721 489.229 GPRESSURE: 1154400 278.75 118.155 -163.355 142.94 -134.607 -268.014 -160.315 -181.324 450.082 PRESSAVG: 1154400 26.0578 51.1801 -12.6361 51.18 -51.5782 23.268 -12.6361 23.2679 -9.03819 GPRESSAVG: 1154400 28.2475 50.3463 -10.3633 53.143 -52.9588 22.9233 -14.337 23.9698 -9.92626 TIMING: 1154400 CPU: 3647.73, 0.00314142/step Wall: 3647.73, 0.00314142/step, 3.35574 hours remaining, 234.222656 MB of memory in use. ENERGY: 1154400 3906.4877 20310.0381 14420.6272 243.4336 -203339.7574 3012.8826 0.0000 0.0000 51922.4301 -109523.8581 298.3989 -161446.2883 -109159.9821 298.8085 163.5635 198.0752 763401.5835 -11.5195 -11.5459 PRESSURE: 1154600 311.848 96.2899 -129.996 96.2889 354.765 25.6675 -129.996 25.6672 349.217 GPRESSURE: 1154600 249.009 79.6987 -73.886 61.5841 413.706 -23.2107 -268.065 -1.58346 426.379 PRESSAVG: 1154600 -13.5522 81.0789 11.6354 81.0789 53.5198 -3.9548 11.6355 -3.95481 19.8807 GPRESSAVG: 1154600 -15.4767 80.9476 12.247 80.1259 55.9924 -4.10836 10.6486 -4.28375 19.5633 TIMING: 1154600 CPU: 3648.35, 0.00312691/step Wall: 3648.35, 0.00312691/step, 3.34006 hours remaining, 234.222656 MB of memory in use. ENERGY: 1154600 3948.1033 20439.2838 14448.0208 237.1569 -203522.0062 3014.7445 0.0000 0.0000 51867.7409 -109566.9559 298.0846 -161434.6969 -109203.6787 298.5630 338.6100 363.0314 761888.0540 19.9494 20.0264 PRESSURE: 1154800 -203.439 208.057 -128.945 208.057 -75.265 -190.411 -128.946 -190.412 -361.748 GPRESSURE: 1154800 -181.637 160.83 -117.452 176.121 -74.9134 -137.161 -106.825 -162.771 -285.478 PRESSAVG: 1154800 -14.1576 43.7398 -77.7349 43.7398 12.9335 48.1814 -77.735 48.1814 26.0893 GPRESSAVG: 1154800 -14.5943 43.1801 -81.2216 46.2552 13.3496 49.9909 -74.3802 48.8699 26.63 TIMING: 1154800 CPU: 3648.98, 0.00312549/step Wall: 3648.98, 0.00312549/step, 3.33837 hours remaining, 234.222656 MB of memory in use. ENERGY: 1154800 3972.3182 20475.4896 14457.0516 235.6188 -203355.1466 2684.6849 0.0000 0.0000 51986.9947 -109542.9888 298.7700 -161529.9835 -109183.6489 298.3755 -213.4842 -180.6762 762667.4204 8.2884 8.4618 PRESSURE: 1155000 -93.538 -31.0363 174.728 -31.0357 -44.3115 15.1155 174.728 15.1161 -384.842 GPRESSURE: 1155000 -126.4 -108.428 274.48 -44.1023 17.6659 44.8317 150.864 -2.83862 -307.355 PRESSAVG: 1155000 -30.9373 89.5435 9.75879 89.5435 2.74649 27.2966 9.75877 27.2967 6.31109 GPRESSAVG: 1155000 -29.6801 88.9202 13.7258 86.3321 2.31933 26.9313 5.18788 28.8016 5.52146 TIMING: 1155000 CPU: 3649.6, 0.0031345/step Wall: 3649.6, 0.0031345/step, 3.34782 hours remaining, 234.222656 MB of memory in use. ENERGY: 1155000 3961.1829 20288.3148 14458.2368 231.2877 -203232.6836 2752.8651 0.0000 0.0000 51757.9004 -109782.8958 297.4534 -161540.7963 -109428.7623 298.3300 -174.2305 -138.6962 763448.8794 -7.2932 -7.2798 PRESSURE: 1155200 -201.226 110.985 -71.1595 110.985 231.397 -86.941 -71.159 -86.9421 -45.1804 GPRESSURE: 1155200 -172.722 167.408 -2.13967 98.9056 267.044 -76.6065 -104.845 59.6097 -18.1041 PRESSAVG: 1155200 -44.9019 51.4495 -15.9906 51.4496 41.1376 8.92589 -15.9906 8.92587 16.2718 GPRESSAVG: 1155200 -43.7722 53.5267 -18.327 53.0243 39.2413 8.51416 -14.3481 5.37507 17.0493 TIMING: 1155200 CPU: 3650.23, 0.00314736/step Wall: 3650.23, 0.00314736/step, 3.36138 hours remaining, 234.222656 MB of memory in use. ENERGY: 1155200 3891.7818 20475.1848 14449.6945 245.3732 -203264.8347 2682.1704 0.0000 0.0000 52047.2998 -109473.3303 299.1165 -161520.6301 -109116.0810 297.9676 -5.0029 25.4061 762920.1886 4.1692 4.1728 PRESSURE: 1155400 -235.777 -56.3605 -32.9273 -56.3609 -122.38 -19.1836 -32.9274 -19.183 -129.374 GPRESSURE: 1155400 -188.791 -17.8851 -74.5991 56.6414 -135.198 25.4067 93.1052 47.297 -76.011 PRESSAVG: 1155400 -18.5088 36.8458 1.83478 36.8457 17.0873 32.4361 1.83476 32.4361 -6.47505 GPRESSAVG: 1155400 -20.9228 36.9653 1.79489 35.6695 18.5415 32.201 1.19546 35.4193 -5.61494 TIMING: 1155400 CPU: 3650.87, 0.00316126/step Wall: 3650.87, 0.00316126/step, 3.37605 hours remaining, 234.222656 MB of memory in use. ENERGY: 1155400 3963.5714 20412.0244 14409.0846 249.1046 -202799.1322 2432.8240 0.0000 0.0000 51902.3553 -109430.1680 298.2835 -161332.5233 -109068.1854 298.5813 -162.5105 -133.3332 764383.1201 -2.6322 -2.6654 PRESSURE: 1155600 -41.7332 -1.82154 -61.7054 -1.82117 -5.82581 -168.78 -61.7056 -168.78 -350.495 GPRESSURE: 1155600 6.20664 -42.5036 -111.303 41.0198 -24.4438 -124.397 84.879 -141.903 -307.917 PRESSAVG: 1155600 -68.6427 24.5244 -12.8545 24.5244 60.5446 -39.6017 -12.8545 -39.6016 -6.66527 GPRESSAVG: 1155600 -67.5814 22.9468 -13.0945 26.5262 59.8972 -38.847 -14.0419 -40.3828 -6.88211 TIMING: 1155600 CPU: 3651.5, 0.00317253/step Wall: 3651.5, 0.00317253/step, 3.38791 hours remaining, 234.222656 MB of memory in use. ENERGY: 1155600 4034.4072 20721.0240 14438.0704 254.9315 -203100.1975 2478.5726 0.0000 0.0000 51989.3470 -109183.8448 298.7835 -161173.1918 -108828.4451 299.1796 -132.6845 -108.7180 762942.5508 -4.9211 -4.8554 PRESSURE: 1155800 -179.946 108.541 -83.9685 108.54 77.7943 302.285 -83.9685 302.286 3.75842 GPRESSURE: 1155800 -76.1537 29.6795 -91.9535 8.67575 109.705 318.074 -108.441 222.623 -47.0438 PRESSAVG: 1155800 -50.0852 83.3552 29.9949 83.3553 48.3128 -31.6208 29.9949 -31.6208 17.7511 GPRESSAVG: 1155800 -50.1431 85.1834 32.779 81.5358 47.7637 -32.8798 30.4497 -31.355 17.5936 TIMING: 1155800 CPU: 3652.13, 0.00316211/step Wall: 3652.13, 0.00316211/step, 3.37661 hours remaining, 234.222656 MB of memory in use. ENERGY: 1155800 3942.3411 20496.4179 14437.1045 246.4318 -202832.0908 2399.9854 0.0000 0.0000 52267.0213 -109042.7888 300.3793 -161309.8101 -108680.7520 299.7661 -32.7978 -4.4975 761719.1013 5.3262 5.0714 PRESSURE: 1156000 -129.338 131.711 127.162 131.711 -262.012 330.273 127.163 330.274 -41.0016 GPRESSURE: 1156000 -213.618 105.192 182.416 119.171 -132.387 382.145 63.9265 284.666 -10.5904 PRESSAVG: 1156000 -30.4115 59.6232 7.51477 59.6232 44.7601 25.2947 7.51474 25.2947 32.0079 GPRESSAVG: 1156000 -30.656 57.6023 7.29702 61.5147 46.7297 24.7644 7.00213 25.5288 30.6452 TIMING: 1156000 CPU: 3652.77, 0.00316742/step Wall: 3652.77, 0.00316742/step, 3.3821 hours remaining, 234.222656 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: 1156000 3967.2905 20338.4948 14486.6547 243.8278 -202866.3138 2274.7212 0.0000 0.0000 52295.0470 -109260.2777 300.5404 -161555.3246 -108893.4201 299.7732 -144.1174 -118.8649 762490.8405 15.4522 15.5730 PRESSURE: 1156200 -19.469 6.44666 -144.823 6.44666 9.54265 2.98333 -144.823 2.98212 -237.382 GPRESSURE: 1156200 50.4571 14.6413 -175.514 12.088 35.352 85.926 -23.7828 23.123 -242.349 PRESSAVG: 1156200 -44.6902 63.3834 14.3135 63.3834 41.929 15.9528 14.3134 15.9528 -15.0855 GPRESSAVG: 1156200 -44.1702 63.6737 13.8141 63.7969 41.301 17.4094 14.2417 13.8943 -14.4328 TIMING: 1156200 CPU: 3653.4, 0.00315184/step Wall: 3653.4, 0.00315184/step, 3.36529 hours remaining, 234.222656 MB of memory in use. ENERGY: 1156200 3950.0460 20270.1190 14442.9801 241.1782 -202953.6898 2444.2667 0.0000 0.0000 52279.8768 -109325.2230 300.4532 -161605.0998 -108959.0260 299.5598 -82.4362 -52.1798 762585.1692 -5.9489 -5.7673 LDB: ============= START OF LOAD BALANCING ============== 3665.93 LDB: ============== END OF LOAD BALANCING =============== 3665.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3665.93 LDB: ============= START OF LOAD BALANCING ============== 3666.24 LDB: Largest compute 7042 load 0.030227 is 15.5% of average load 0.195442 LDB: Average compute 0.004364 is 2.2% of average load 0.195442 LDB: TIME 3666.25 LOAD: AVG 0.195442 MAX 0.216713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 3666.25 LOAD: AVG 0.195442 MAX 0.216713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 3666.25 LOAD: AVG 0.195442 MAX 0.216713 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 3666.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3666.25 PRESSURE: 1156400 15.6301 -260.384 -60.9923 -260.383 396.536 -13.2794 -60.9929 -13.2804 113.244 GPRESSURE: 1156400 -6.19638 -259.338 -38.4621 -127.909 385.007 17.4334 -78.5986 146.522 179.204 PRESSAVG: 1156400 -41.4235 -10.6666 -70.0952 -10.6666 44.3938 -3.7237 -70.0953 -3.72371 -20.3832 GPRESSAVG: 1156400 -42.2769 -9.26433 -69.8902 -11.582 43.9358 -4.90352 -69.7829 -1.50177 -19.1785 TIMING: 1156400 CPU: 3654.04, 0.00320634/step Wall: 3654.04, 0.00320634/step, 3.4233 hours remaining, 232.937500 MB of memory in use. ENERGY: 1156400 3943.6678 20515.2398 14482.1080 231.7342 -203192.6096 2682.6354 0.0000 0.0000 52011.8911 -109325.3333 298.9131 -161337.2244 -108976.5719 299.3741 175.1368 186.0050 760522.7450 -5.8043 -5.8399 PRESSURE: 1156600 -20.8154 119.029 39.1455 119.029 29.523 75.165 39.145 75.1643 -26.5518 GPRESSURE: 1156600 -9.73457 95.9742 -20.6054 63.607 94.5195 64.0588 19.587 145.337 -25.3512 PRESSAVG: 1156600 -14.3922 18.3532 -80.2881 18.3532 10.3113 1.80274 -80.2882 1.8027 -1.86827 GPRESSAVG: 1156600 -14.2116 17.2755 -80.9222 19.233 10.8417 2.4941 -80.7427 2.88753 -2.34172 TIMING: 1156600 CPU: 3654.67, 0.00315896/step Wall: 3654.67, 0.00315896/step, 3.37255 hours remaining, 232.937500 MB of memory in use. ENERGY: 1156600 4013.6046 20415.0410 14512.8183 272.6920 -203288.3406 2646.6787 0.0000 0.0000 51898.0583 -109529.4478 298.2589 -161427.5061 -109164.0774 298.7318 -5.9481 19.8113 762043.2274 -1.9831 -1.9039 PRESSURE: 1156800 -126.185 229.274 -15.5996 229.273 -409.527 -161.921 -15.6003 -161.922 -265.387 GPRESSURE: 1156800 -19.599 207.732 -84.319 217.037 -332.401 -194.089 28.5884 -106.873 -334.496 PRESSAVG: 1156800 -5.54837 9.44054 -43.7106 9.44054 11.8435 -26.2547 -43.7106 -26.2547 3.01287 GPRESSAVG: 1156800 -4.54296 8.25139 -45.0772 9.30005 12.3012 -24.5211 -43.2082 -27.0108 1.94658 TIMING: 1156800 CPU: 3655.3, 0.00316215/step Wall: 3655.3, 0.00316215/step, 3.37577 hours remaining, 232.937500 MB of memory in use. ENERGY: 1156800 3934.9494 20273.8661 14551.5215 263.7043 -203056.5047 2257.5446 0.0000 0.0000 52033.1545 -109741.7643 299.0353 -161774.9187 -109376.3571 299.1452 -267.0329 -228.8319 761247.9479 3.1027 3.2349 PRESSURE: 1157000 -60.0793 84.9327 9.9807 84.933 -414.956 -140.333 9.98053 -140.332 -553.877 GPRESSURE: 1157000 -12.8931 35.7425 57.7456 60.1356 -360.42 -139.46 -74.7025 -132.206 -562.937 PRESSAVG: 1157000 -20.9664 13.0317 -0.899501 13.0317 52.582 -19.0309 -0.899464 -19.031 5.4828 GPRESSAVG: 1157000 -21.9245 14.9824 0.199434 11.8529 52.504 -20.1496 -1.59728 -20.1585 6.29685 TIMING: 1157000 CPU: 3655.94, 0.00317533/step Wall: 3655.94, 0.00317533/step, 3.38966 hours remaining, 232.937500 MB of memory in use. ENERGY: 1157000 3967.7761 20276.1557 14483.3892 230.1054 -203352.9294 2501.0279 0.0000 0.0000 52024.2987 -109870.1763 298.9844 -161894.4750 -109515.3007 298.4672 -342.9708 -312.0834 761746.5063 12.3661 12.2921 PRESSURE: 1157200 132.745 -50.6888 104.575 -50.6883 -8.93686 -125.087 104.575 -125.086 102.961 GPRESSURE: 1157200 148.714 -72.3662 47.8579 -43.8096 17.3241 -125.586 222.41 -149.134 153.081 PRESSAVG: 1157200 -7.93351 23.3906 -23.8501 23.3906 3.69695 -27.9903 -23.8501 -27.9902 25.3476 GPRESSAVG: 1157200 -7.74509 23.3387 -24.128 22.6553 2.71185 -27.9873 -22.9136 -27.0394 26.2702 TIMING: 1157200 CPU: 3656.57, 0.00317927/step Wall: 3656.57, 0.00317927/step, 3.3937 hours remaining, 232.937500 MB of memory in use. ENERGY: 1157200 4031.1999 20418.4202 14501.0275 269.8188 -203448.9663 2554.7491 0.0000 0.0000 52005.7541 -109667.9967 298.8778 -161673.7508 -109298.0459 298.8291 75.5894 106.3730 759745.8136 7.0370 7.0790 PRESSURE: 1157400 -101.369 -124.124 -12.1185 -124.124 -308.157 101.886 -12.1187 101.886 -52.7229 GPRESSURE: 1157400 -96.4286 -57.8817 -57.136 -136.083 -190.849 120.099 45.5274 71.0049 -89.1941 PRESSAVG: 1157400 29.1359 -33.1586 -47.2693 -33.1586 -26.6615 -14.1626 -47.2693 -14.1627 1.56287 GPRESSAVG: 1157400 28.4259 -32.6667 -46.8941 -32.1129 -27.8053 -14.4131 -47.2268 -16.2281 2.96716 TIMING: 1157400 CPU: 3657.21, 0.00319565/step Wall: 3657.21, 0.00319565/step, 3.411 hours remaining, 232.937500 MB of memory in use. ENERGY: 1157400 4049.8752 20595.9797 14479.6034 227.8564 -203003.3421 2409.1993 0.0000 0.0000 51892.2790 -109348.5491 298.2256 -161240.8281 -108995.2538 298.9400 -154.0830 -125.4907 763190.5582 1.3457 1.1960 PRESSURE: 1157600 -14.0596 -11.0651 -94.8207 -11.065 -587.489 -160.753 -94.8217 -160.753 -117.188 GPRESSURE: 1157600 31.3768 85.4258 27.9841 81.7411 -498.791 -85.527 -62.3541 -141.449 -156.004 PRESSAVG: 1157600 46.9136 14.741 -20.4548 14.741 -55.2404 21.3647 -20.4549 21.3648 -14.5162 GPRESSAVG: 1157600 48.4559 14.8598 -18.0926 14.3074 -54.865 21.781 -20.4379 23.214 -16.1604 TIMING: 1157600 CPU: 3657.84, 0.00315597/step Wall: 3657.84, 0.00315597/step, 3.36847 hours remaining, 232.937500 MB of memory in use. ENERGY: 1157600 4025.3036 20478.9371 14453.3336 244.6035 -202994.3521 2188.3777 0.0000 0.0000 52230.8901 -109372.9066 300.1716 -161603.7967 -108997.6660 299.0499 -239.5787 -207.8059 762249.6066 -7.6144 -7.5231 PRESSURE: 1157800 -236.956 95.2748 -266.355 95.2747 92.0394 -42.017 -266.355 -42.0169 147.388 GPRESSURE: 1157800 -267.983 -48.0058 -289.854 19.5137 178.615 -40.1425 -132.678 -140.515 149.632 PRESSAVG: 1157800 45.712 14.043 -21.0802 14.043 -5.92605 33.386 -21.0802 33.3859 24.272 GPRESSAVG: 1157800 45.9275 14.6751 -22.7946 13.8511 -5.37436 32.8236 -23.3216 30.6976 23.4136 TIMING: 1157800 CPU: 3658.48, 0.00317793/step Wall: 3658.48, 0.00317793/step, 3.39174 hours remaining, 232.937500 MB of memory in use. ENERGY: 1157800 4043.2620 20548.9900 14477.6031 249.8865 -203631.2822 2799.6294 0.0000 0.0000 52260.6844 -109251.2267 300.3429 -161511.9112 -108890.2170 299.3409 0.8236 20.0881 761501.2843 21.3526 21.3222 PRESSURE: 1158000 197.445 47.3626 -29.9619 47.3637 -374.966 -8.30675 -29.9619 -8.30677 428.117 GPRESSURE: 1158000 154.876 1.55197 55.1095 -30.409 -292.2 -14.338 20.3116 31.1357 486.166 PRESSAVG: 1158000 1.48816 14.8949 -29.7525 14.8948 -17.3314 -12.6517 -29.7526 -12.6516 -6.07857 GPRESSAVG: 1158000 -0.543591 13.0796 -29.7831 15.4629 -17.3309 -12.6254 -29.6859 -10.2109 -4.19992 TIMING: 1158000 CPU: 3659.11, 0.00317788/step Wall: 3659.11, 0.00317788/step, 3.39151 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: 1158000 3896.5621 20455.7240 14521.5130 250.5489 -203041.5880 2533.9430 0.0000 0.0000 52224.1718 -109159.1253 300.1330 -161383.2972 -108791.1079 299.5871 83.5322 116.2806 763515.6090 -7.3073 -7.3581 PRESSURE: 1158200 180.248 -61.7894 306.302 -61.7893 186.421 -91.0875 306.302 -91.0873 152.171 GPRESSURE: 1158200 264.586 -39.8044 303.668 -89.8356 169.276 -129.372 366.397 16.9585 174.008 PRESSAVG: 1158200 22.2868 8.52902 38.2712 8.52902 -21.4074 -26.6347 38.2713 -26.6348 4.92188 GPRESSAVG: 1158200 22.6767 8.19396 37.6582 6.99081 -20.7098 -27.893 39.9395 -26.4623 4.23153 TIMING: 1158200 CPU: 3659.75, 0.00315571/step Wall: 3659.75, 0.00315571/step, 3.36766 hours remaining, 232.937500 MB of memory in use. ENERGY: 1158200 4020.7200 20419.1947 14557.7932 247.1256 -203583.5021 2853.4789 0.0000 0.0000 52249.0377 -109236.1521 300.2759 -161485.1898 -108875.0791 299.6516 172.9467 202.6235 762007.2353 1.9338 2.0661 PRESSURE: 1158400 -189.035 -73.8558 17.4168 -73.8559 -259.446 -29.7022 17.416 -29.702 95.1394 GPRESSURE: 1158400 -107.169 -34.5585 -49.3724 -110.202 -292.483 108.941 43.5661 14.4744 134.867 PRESSAVG: 1158400 -8.38927 -24.1537 52.0972 -24.1536 23.5845 30.6036 52.0973 30.6036 15.8106 GPRESSAVG: 1158400 -7.72822 -23.5112 52.2173 -22.0991 23.8415 32.1359 50.7978 30.1519 15.0825 TIMING: 1158400 CPU: 3660.38, 0.00315112/step Wall: 3660.38, 0.00315112/step, 3.36259 hours remaining, 232.937500 MB of memory in use. ENERGY: 1158400 4005.5740 20584.9770 14475.8179 237.6655 -203214.6100 2561.2197 0.0000 0.0000 51903.5999 -109445.7561 298.2907 -161349.3559 -109079.4582 299.5934 -117.7806 -88.2617 762719.0874 10.3353 10.3986 PRESSURE: 1158600 -135.557 -77.4598 -67.2856 -77.4599 -299.857 -50.6737 -67.2861 -50.6735 -62.2272 GPRESSURE: 1158600 -128.664 -182.255 -156.211 -47.997 -214.198 -91.4379 -71.3356 -28.962 -66.5601 PRESSAVG: 1158600 -7.20378 -59.7642 -10.2475 -59.7642 17.0839 40.1092 -10.2475 40.1091 -16.6584 GPRESSAVG: 1158600 -7.32687 -59.3306 -10.603 -60.7537 16.4587 39.4311 -11.2521 39.9536 -15.8102 TIMING: 1158600 CPU: 3661.01, 0.00315751/step Wall: 3661.01, 0.00315751/step, 3.36924 hours remaining, 232.937500 MB of memory in use. ENERGY: 1158600 3979.4873 20605.0925 14526.6039 237.7350 -203479.5348 2777.5027 0.0000 0.0000 51931.9974 -109421.1161 298.4539 -161353.1135 -109062.2852 298.9350 -165.8804 -136.4742 762419.6115 -2.2594 -2.2261 PRESSURE: 1158800 194.223 56.6867 89.7876 56.6869 208.402 79.0732 89.7873 79.073 -115.928 GPRESSURE: 1158800 212.595 133.697 159.914 106.321 273.185 34.4418 21.4472 98.6851 -127.665 PRESSAVG: 1158800 -61.6242 -2.52368 -20.574 -2.52366 31.3455 -41.0322 -20.574 -41.0322 -15.0799 GPRESSAVG: 1158800 -61.8572 -1.58847 -19.8164 -2.62954 31.4531 -41.0969 -19.5805 -42.0543 -15.4792 TIMING: 1158800 CPU: 3661.64, 0.00317891/step Wall: 3661.64, 0.00317891/step, 3.3919 hours remaining, 232.937500 MB of memory in use. ENERGY: 1158800 3991.8843 20417.6167 14530.8712 254.2421 -203322.8297 2636.6742 0.0000 0.0000 51855.9102 -109635.6310 298.0166 -161491.5412 -109272.9961 298.8889 95.5657 119.3715 761941.9849 -15.1195 -15.2945 PRESSURE: 1159000 -16.1738 98.4433 -96.2101 98.443 -153.417 -41.3671 -96.2099 -41.3674 10.597 GPRESSURE: 1159000 31.4028 151.776 -79.1997 9.69786 -126.076 8.39727 -115.514 -38.0213 13.9099 PRESSAVG: 1159000 -12.8202 4.37309 39.7083 4.37309 20.714 25.0938 39.7082 25.0938 -11.0408 GPRESSAVG: 1159000 -12.6507 3.44833 39.7388 5.46064 21.264 26.4846 37.7946 27.585 -11.9771 TIMING: 1159000 CPU: 3662.28, 0.00318407/step Wall: 3662.28, 0.00318407/step, 3.39722 hours remaining, 232.937500 MB of memory in use. ENERGY: 1159000 4012.2266 20598.6778 14511.6772 256.0967 -203423.3366 2739.0990 0.0000 0.0000 52044.8580 -109260.7013 299.1025 -161305.5593 -108900.3710 299.1535 -52.9980 -26.9212 761411.4227 -1.0490 -1.1213 PRESSURE: 1159200 -299.878 -14.5299 -105.121 -14.5304 -181.819 -28.9869 -105.121 -28.9873 -203.311 GPRESSURE: 1159200 -166.905 14.2666 -102.27 38.8907 -254.165 -125.74 -79.4417 -65.8194 -178.121 PRESSAVG: 1159200 -42.3574 20.2258 -48.8921 20.2258 66.2764 21.5985 -48.8921 21.5985 2.04474 GPRESSAVG: 1159200 -40.9514 19.2589 -49.0713 20.7336 64.1059 22.6596 -46.0063 19.5628 2.88683 TIMING: 1159200 CPU: 3662.91, 0.00315929/step Wall: 3662.91, 0.00315929/step, 3.37061 hours remaining, 232.937500 MB of memory in use. ENERGY: 1159200 4049.1515 20470.1528 14470.8628 245.0460 -203212.1788 2438.1528 0.0000 0.0000 52097.4361 -109441.3768 299.4047 -161538.8129 -109078.2453 299.2691 -228.3360 -199.7302 762660.3670 8.6546 8.6805 PRESSURE: 1159400 291.638 12.7613 -167.51 12.7623 104.985 -114.881 -167.509 -114.881 52.1955 GPRESSURE: 1159400 207.673 -48.6112 -194.032 100.511 239.445 1.86538 -102.93 -29.246 101.263 PRESSAVG: 1159400 -12.2488 19.7995 -34.9672 19.7994 19.9404 17.7447 -34.9672 17.7447 -10.4444 GPRESSAVG: 1159400 -13.4482 21.7616 -35.8067 18.487 20.2866 16.3009 -37.2401 19.6347 -9.8411 TIMING: 1159400 CPU: 3663.54, 0.00315931/step Wall: 3663.54, 0.00315931/step, 3.37045 hours remaining, 232.937500 MB of memory in use. ENERGY: 1159400 3994.6930 20486.6653 14508.2286 236.9773 -203964.6568 3089.2387 0.0000 0.0000 52217.5138 -109431.3401 300.0948 -161648.8540 -109066.3489 299.2992 149.6063 182.7935 759343.0782 -0.9176 -1.0009 PRESSURE: 1159600 -222.381 155.031 -107.639 155.032 -236.4 10.0747 -107.639 10.074 -250.368 GPRESSURE: 1159600 -189.029 203.603 -127.744 31.9213 -184.799 -23.952 -140.225 -51.7529 -258.325 PRESSAVG: 1159600 14.4158 -17.4048 -18.6097 -17.4048 -16.883 -32.1815 -18.6097 -32.1815 -2.39248 GPRESSAVG: 1159600 15.0244 -17.7711 -17.2844 -17.778 -16.9121 -31.8973 -16.6868 -30.8873 -3.16523 TIMING: 1159600 CPU: 3664.18, 0.00315903/step Wall: 3664.18, 0.00315903/step, 3.36999 hours remaining, 232.937500 MB of memory in use. ENERGY: 1159600 3987.0246 20510.4948 14448.3482 257.9207 -203242.2719 2533.4074 0.0000 0.0000 52126.7510 -109378.3251 299.5732 -161505.0761 -109017.2995 298.9169 -236.3832 -210.7176 762617.2957 -1.6199 -1.6843 PRESSURE: 1159800 -297.517 40.4473 111.945 40.4473 -283.349 138.5 111.944 138.5 -392.484 GPRESSURE: 1159800 -298.457 58.83 89.1824 97.1754 -208.527 93.5674 58.8825 90.5381 -408.363 PRESSAVG: 1159800 7.42617 -7.03348 -7.24164 -7.03347 15.9425 11.5978 -7.24165 11.5978 0.612564 GPRESSAVG: 1159800 6.54332 -5.85751 -7.63297 -6.67554 16.1041 10.6604 -9.70597 9.88295 0.660514 TIMING: 1159800 CPU: 3664.81, 0.0031722/step Wall: 3664.81, 0.0031722/step, 3.38386 hours remaining, 232.937500 MB of memory in use. ENERGY: 1159800 3975.4928 20561.9309 14483.8088 237.4582 -202757.7792 2321.5341 0.0000 0.0000 51912.8849 -109264.6695 298.3441 -161177.5544 -108896.2481 299.4417 -324.4501 -305.1158 762621.5394 7.9938 7.7693 PRESSURE: 1160000 50.6219 -10.5169 295.206 -10.5164 140.639 105.438 295.205 105.437 155.187 GPRESSURE: 1160000 21.2969 -143.034 254.578 -9.5054 162.366 -17.7952 210.715 29.8574 261.119 PRESSAVG: 1160000 60.7317 9.50736 20.866 9.50743 -31.965 11.0984 20.866 11.0984 -17.7006 GPRESSAVG: 1160000 61.2036 8.18619 21.0386 9.3974 -31.8243 12.7198 20.2785 10.9167 -17.8599 TIMING: 1160000 CPU: 3665.44, 0.0031675/step Wall: 3665.44, 0.0031675/step, 3.37867 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: 1160000 3888.0931 20703.4515 14458.6949 240.8695 -203662.8615 3007.8196 0.0000 0.0000 51969.6664 -109394.2663 298.6704 -161363.9327 -109035.5503 299.1770 115.4828 148.2606 761913.2311 3.6887 3.8398 PRESSURE: 1160200 215.003 -217.226 181.822 -217.227 160.659 168.323 181.822 168.323 49.6779 GPRESSURE: 1160200 293.833 -176.932 247.333 -113.714 121.17 176.203 173.929 149.33 94.7979 PRESSAVG: 1160200 6.42863 -6.55852 56.9899 -6.55848 6.3281 -30.6362 56.9899 -30.6362 1.43003 GPRESSAVG: 1160200 7.80533 -5.85445 57.1808 -5.19118 5.5172 -32.9757 58.5403 -29.754 0.698116 TIMING: 1160200 CPU: 3666.08, 0.00317074/step Wall: 3666.08, 0.00317074/step, 3.38195 hours remaining, 232.937500 MB of memory in use. ENERGY: 1160200 3877.1288 20574.4899 14444.3650 275.9588 -202955.0628 2562.5650 0.0000 0.0000 51850.7388 -109369.8165 297.9869 -161220.5554 -109007.9814 298.9464 141.7799 169.9337 763544.4559 4.7289 4.6735 LDB: ============= START OF LOAD BALANCING ============== 3678.61 LDB: ============== END OF LOAD BALANCING =============== 3678.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3678.61 LDB: ============= START OF LOAD BALANCING ============== 3678.93 LDB: Largest compute 7075 load 0.029952 is 15.3% of average load 0.195371 LDB: Average compute 0.004375 is 2.2% of average load 0.195371 LDB: TIME 3678.94 LOAD: AVG 0.195371 MAX 0.214024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 3678.94 LOAD: AVG 0.195371 MAX 0.214024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: TIME 3678.94 LOAD: AVG 0.195371 MAX 0.214024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: ============== END OF LOAD BALANCING =============== 3678.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3678.94 PRESSURE: 1160400 -335.175 16.7063 -1.4534 16.7069 -321.279 73.3404 -1.45359 73.3412 -251.727 GPRESSURE: 1160400 -408.23 4.11246 -53.8679 2.52591 -200.642 11.6477 36.9292 154.297 -205.731 PRESSAVG: 1160400 22.8405 -21.374 7.75784 -21.374 11.884 -1.5676 7.75784 -1.56756 -13.8689 GPRESSAVG: 1160400 20.7099 -20.6411 7.92939 -22.9204 13.2078 1.47212 7.47525 -3.24882 -13.0511 TIMING: 1160400 CPU: 3666.73, 0.00324776/step Wall: 3666.73, 0.00324776/step, 3.46392 hours remaining, 233.003906 MB of memory in use. ENERGY: 1160400 4001.7333 20405.9756 14522.1340 247.5833 -203487.2917 2664.5977 0.0000 0.0000 52100.8390 -109544.4288 299.4242 -161645.2678 -109172.3023 298.9533 -302.7271 -271.5343 761612.1870 6.9519 6.9555 PRESSURE: 1160600 -74.653 -125.148 -81.8764 -125.149 -349.923 218.877 -81.8761 218.877 -119.925 GPRESSURE: 1160600 -98.9727 -113.364 -34.6148 -192.469 -283.256 213.454 29.7533 -20.7779 -74.0357 PRESSAVG: 1160600 15.1069 -60.0127 -0.403304 -60.0127 -4.2331 30.9344 -0.403336 30.9344 5.02012 GPRESSAVG: 1160600 15.3631 -63.9693 -0.753288 -57.9358 -4.65361 28.6561 0.784313 31.9407 5.26775 TIMING: 1160600 CPU: 3667.37, 0.00320531/step Wall: 3667.37, 0.00320531/step, 3.41846 hours remaining, 233.207031 MB of memory in use. ENERGY: 1160600 4008.0281 20523.0887 14504.2227 230.2987 -203164.7394 2454.4150 0.0000 0.0000 52140.4708 -109304.2155 299.6520 -161444.6863 -108944.6315 299.5849 -181.5002 -152.0883 762556.5373 5.2980 5.3257 PRESSURE: 1160800 255.576 89.2726 165.301 89.2719 -101.118 -50.2106 165.302 -50.2098 88.9791 GPRESSURE: 1160800 232.531 129.514 162.358 51.47 -34.0194 -100.633 7.26172 -39.259 109.253 PRESSAVG: 1160800 8.09128 -11.1118 7.05775 -11.1118 -27.2728 29.8024 7.0577 29.8024 18.9282 GPRESSAVG: 1160800 7.98818 -8.6929 7.74005 -12.665 -26.6562 31.591 5.19621 28.4587 18.2725 TIMING: 1160800 CPU: 3668, 0.0031791/step Wall: 3668, 0.0031791/step, 3.39034 hours remaining, 233.207031 MB of memory in use. ENERGY: 1160800 3963.5044 20588.1830 14456.2623 252.0819 -203309.2187 2651.0845 0.0000 0.0000 52228.5095 -109169.5931 300.1580 -161398.1026 -108814.2942 299.6368 81.1459 102.5883 760243.2048 -0.0844 -0.1318 PRESSURE: 1161000 -158.936 -6.62349 -133.636 -6.62384 268.127 123.719 -133.635 123.718 -407.794 GPRESSURE: 1161000 -91.3019 -71.1036 -62.915 -20.4546 249.138 93.0484 -31.9574 70.2916 -358.484 PRESSAVG: 1161000 32.053 16.3088 -38.1884 16.3088 14.123 4.74338 -38.1885 4.7433 -24.0485 GPRESSAVG: 1161000 31.8876 17.9409 -39.0828 16.7546 14.1186 4.13842 -38.0848 7.48519 -22.7968 TIMING: 1161000 CPU: 3668.64, 0.00319515/step Wall: 3668.64, 0.00319515/step, 3.40727 hours remaining, 233.207031 MB of memory in use. ENERGY: 1161000 3964.6412 20681.4995 14433.1451 247.5272 -203306.2181 2669.1659 0.0000 0.0000 52242.9313 -109067.3078 300.2408 -161310.2392 -108706.7887 299.8150 -99.5343 -66.8828 761693.8621 7.3758 7.7365 PRESSURE: 1161200 34.1663 55.6465 5.81712 55.6475 -245.74 -177.391 5.81721 -177.391 104.343 GPRESSURE: 1161200 58.9742 133.052 -96.6652 38.2426 -175.971 -188.845 -23.0173 -236.998 80.835 PRESSAVG: 1161200 7.09212 2.12445 -37.8878 2.12442 -30.2726 -27.1745 -37.8878 -27.1744 0.584932 GPRESSAVG: 1161200 8.85864 2.92444 -39.6385 1.40532 -30.8971 -28.1654 -36.7971 -27.9227 -0.242615 TIMING: 1161200 CPU: 3669.28, 0.00318771/step Wall: 3669.28, 0.00318771/step, 3.39916 hours remaining, 233.207031 MB of memory in use. ENERGY: 1161200 3983.6797 20576.5497 14552.6144 250.5400 -203441.0421 2764.7367 0.0000 0.0000 52040.5429 -109272.3788 299.0777 -161312.9217 -108910.5489 299.2751 -35.7436 -12.0540 761361.6099 -7.5318 -7.4270 PRESSURE: 1161400 24.5532 42.9757 45.0076 42.9754 -123.741 -112.266 45.0073 -112.266 79.7116 GPRESSURE: 1161400 -1.06798 46.8837 20.5032 186.622 -55.7306 -104.626 66.2201 1.83806 154.9 PRESSAVG: 1161400 15.0785 7.50733 19.1418 7.50726 -18.1246 7.86802 19.1418 7.86811 -0.0928273 GPRESSAVG: 1161400 12.582 6.17667 20.0408 10.2818 -17.1679 7.45512 20.0387 8.5715 1.28646 TIMING: 1161400 CPU: 3669.92, 0.00317486/step Wall: 3669.92, 0.00317486/step, 3.38528 hours remaining, 233.207031 MB of memory in use. ENERGY: 1161400 3885.7987 20607.6815 14517.0255 247.4844 -203669.5126 2683.4229 0.0000 0.0000 52458.7895 -109269.3100 301.4814 -161728.0996 -108902.5748 299.1274 -6.4920 32.7004 760366.2083 -1.0463 -1.0998 PRESSURE: 1161600 -341.468 64.9922 -290.514 64.9919 64.8523 -144.229 -290.512 -144.23 -141.15 GPRESSURE: 1161600 -233.959 51.0466 -312.593 92.4339 84.8968 -104.116 -217.697 -204.831 -187.709 PRESSAVG: 1161600 31.4071 2.19785 44.6928 2.19788 5.67416 -22.5566 44.6929 -22.5567 7.8364 GPRESSAVG: 1161600 31.9446 3.0982 46.6141 0.863559 4.88398 -21.3791 44.2305 -22.8077 7.8263 TIMING: 1161600 CPU: 3670.55, 0.00314782/step Wall: 3670.55, 0.00314782/step, 3.35627 hours remaining, 233.207031 MB of memory in use. ENERGY: 1161600 3994.6682 20543.0398 14503.0075 237.8183 -203084.0329 2499.2609 0.0000 0.0000 51942.9009 -109363.3373 298.5166 -161306.2382 -108999.9445 299.2098 -139.2550 -112.2573 761357.8732 14.9726 14.8850 PRESSURE: 1161800 147.432 -44.4413 272.952 -44.4411 -187.883 121.046 272.952 121.045 270.671 GPRESSURE: 1161800 144.722 -104.206 301.964 -260.108 -94.5463 121.397 225.58 -22.836 257.845 PRESSAVG: 1161800 -28.3863 -2.57489 51.4922 -2.57495 29.6085 -38.9276 51.4921 -38.9276 -1.22255 GPRESSAVG: 1161800 -27.9761 -5.06575 50.3337 -1.68086 31.0524 -39.2358 51.5631 -39.2244 -2.76001 TIMING: 1161800 CPU: 3671.18, 0.00317428/step Wall: 3671.18, 0.00317428/step, 3.38431 hours remaining, 233.207031 MB of memory in use. ENERGY: 1161800 4001.2290 20750.0412 14464.4795 246.0111 -203249.2146 2502.5861 0.0000 0.0000 51838.2313 -109446.6364 297.9150 -161284.8677 -109095.7495 298.8832 76.7400 102.6735 761260.0820 -0.0001 0.1054 PRESSURE: 1162000 -46.6935 17.7205 346.751 17.7204 -42.8214 -100.015 346.751 -100.013 172.182 GPRESSURE: 1162000 32.1353 69.1483 328.88 -146.082 -32.0316 -81.5121 205.645 68.3344 164.842 PRESSAVG: 1162000 -72.2671 51.3733 22.3509 51.3733 29.5588 -31.1458 22.3508 -31.1459 -1.22146 GPRESSAVG: 1162000 -72.5716 52.5399 22.4414 50.2185 30.8518 -31.4388 19.5827 -31.621 -2.28665 TIMING: 1162000 CPU: 3671.82, 0.00319846/step Wall: 3671.82, 0.00319846/step, 3.40991 hours remaining, 233.207031 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: 1162000 3914.7374 20502.2481 14518.0831 229.3331 -202897.0289 2448.3055 0.0000 0.0000 51959.5657 -109324.7561 298.6123 -161284.3217 -108953.4590 298.7171 27.5557 54.9818 761922.0328 -14.6433 -14.6688 PRESSURE: 1162200 31.2108 134.029 -335.908 134.029 36.8273 371.223 -335.909 371.224 85.9338 GPRESSURE: 1162200 47.8828 45.1429 -195.481 98.3225 23.3883 277.532 -314.083 198.83 163.771 PRESSAVG: 1162200 -3.80518 -37.6727 -69.9958 -37.6727 21.3056 -39.0893 -69.9957 -39.0892 8.5822 GPRESSAVG: 1162200 -4.15339 -37.9259 -68.9369 -38.0715 19.5612 -39.0214 -68.3467 -38.5698 11.0021 TIMING: 1162200 CPU: 3672.45, 0.00315614/step Wall: 3672.45, 0.00315614/step, 3.36463 hours remaining, 233.207031 MB of memory in use. ENERGY: 1162200 4010.5225 20375.2015 14484.3700 250.4048 -203263.1290 2629.6342 0.0000 0.0000 52082.9056 -109430.0904 299.3212 -161512.9960 -109068.0944 299.4825 51.3240 78.3473 760438.9663 8.6942 8.8033 PRESSURE: 1162400 -319.586 -181.883 -195.101 -181.883 -290.701 28.9573 -195.101 28.9583 -394.96 GPRESSURE: 1162400 -247.219 -201.702 -150.466 -146.733 -311.06 -2.66152 -133.478 14.777 -376.386 PRESSAVG: 1162400 11.7527 25.1172 -15.7954 25.1172 -3.08733 12.9235 -15.7954 12.9236 -12.6823 GPRESSAVG: 1162400 13.0321 26.8619 -17.2217 25.5564 -2.44636 14.1041 -14.9376 11.7043 -14.8335 TIMING: 1162400 CPU: 3673.08, 0.00316781/step Wall: 3673.08, 0.00316781/step, 3.37689 hours remaining, 233.207031 MB of memory in use. ENERGY: 1162400 4033.0347 20608.6007 14449.4823 217.4008 -203186.4670 2451.6233 0.0000 0.0000 52024.4465 -109401.8786 298.9852 -161426.3251 -109030.7044 298.9110 -335.0824 -311.5552 762152.1605 -1.3390 -1.4159 PRESSURE: 1162600 28.3055 -79.26 -126.134 -79.2601 86.1021 0.933074 -126.133 0.932922 62.676 GPRESSURE: 1162600 41.4361 -92.2364 -66.4699 -49.2528 152.897 -20.094 -95.0811 6.0998 59.0259 PRESSAVG: 1162600 27.6074 -21.2478 -25.6806 -21.2478 -36.6809 9.97067 -25.6806 9.97059 10.0771 GPRESSAVG: 1162600 26.3869 -22.7827 -23.8014 -21.2075 -36.7773 8.3836 -24.6201 11.0147 11.1914 TIMING: 1162600 CPU: 3673.72, 0.00317765/step Wall: 3673.72, 0.00317765/step, 3.3872 hours remaining, 233.207031 MB of memory in use. ENERGY: 1162600 3902.5936 20550.9694 14450.6129 230.4313 -203132.6022 2536.3927 0.0000 0.0000 52035.2846 -109426.3178 299.0475 -161461.6024 -109056.7117 298.9400 59.0279 84.4530 761863.6245 0.3345 0.2670 PRESSURE: 1162800 -235.793 -222.702 101.419 -222.702 221.856 1.75285 101.419 1.75245 -106.297 GPRESSURE: 1162800 -193.942 -213.767 248.751 -158.904 217.863 20.4947 -34.0026 -92.7534 -51.7313 PRESSAVG: 1162800 -41.1419 -46.4766 -7.00053 -46.4765 17.3257 -8.5457 -7.00051 -8.54583 -26.552 GPRESSAVG: 1162800 -38.7206 -47.4411 -9.87042 -47.0736 15.0057 -7.76031 -10.0759 -8.5472 -26.2061 TIMING: 1162800 CPU: 3674.36, 0.00317495/step Wall: 3674.36, 0.00317495/step, 3.38415 hours remaining, 233.207031 MB of memory in use. ENERGY: 1162800 3985.2902 20513.2592 14526.4026 247.6429 -203528.0883 2835.4106 0.0000 0.0000 52081.6913 -109338.3915 299.3142 -161420.0828 -108979.9253 299.3438 -40.0784 -9.2704 761694.1264 -16.7894 -16.6404 PRESSURE: 1163000 175.014 -0.877584 -203.995 -0.877443 -287.377 76.7626 -203.996 76.7624 141.909 GPRESSURE: 1163000 135.709 -4.05234 -154.636 -123.937 -220.573 80.8313 -122.461 -29.9544 216.902 PRESSAVG: 1163000 -10.775 3.56494 39.0929 3.56491 25.2438 -20.8711 39.0928 -20.8711 18.188 GPRESSAVG: 1163000 -12.0103 4.2248 40.3064 5.16065 26.1821 -19.1927 40.6004 -21.939 18.2065 TIMING: 1163000 CPU: 3674.99, 0.00318346/step Wall: 3674.99, 0.00318346/step, 3.39304 hours remaining, 233.207031 MB of memory in use. ENERGY: 1163000 3936.6906 20590.8458 14495.2734 257.9403 -203489.1634 2764.6592 0.0000 0.0000 51962.4584 -109481.2956 298.6290 -161443.7541 -109114.2444 299.1027 9.8487 44.0127 761920.7697 10.8856 10.7928 PRESSURE: 1163200 37.4451 -80.7525 59.9517 -80.7529 -221.756 -290.519 59.951 -290.52 -269.098 GPRESSURE: 1163200 11.6953 73.1139 -11.7847 -39.1961 -126.97 -275.025 93.683 -219.931 -237.734 PRESSAVG: 1163200 -24.5272 39.7826 -25.0855 39.7826 -16.4889 -29.5855 -25.0856 -29.5854 -5.43803 GPRESSAVG: 1163200 -25.0373 38.7391 -25.9062 39.2942 -16.3051 -32.4504 -23.8638 -26.3731 -5.06211 TIMING: 1163200 CPU: 3675.62, 0.00314216/step Wall: 3675.62, 0.00314215/step, 3.34884 hours remaining, 233.207031 MB of memory in use. ENERGY: 1163200 4057.4946 20471.4107 14419.1506 242.6186 -203324.5861 2682.7360 0.0000 0.0000 51924.3626 -109526.8131 298.4100 -161451.1757 -109166.0068 298.7969 -151.1364 -117.6697 760938.9193 -15.4847 -15.4682 PRESSURE: 1163400 68.0218 -43.0782 -0.0176898 -43.0786 25.4501 -113.698 -0.0174654 -113.699 311.674 GPRESSURE: 1163400 65.1288 5.94292 -28.8133 -61.9812 89.9158 -156.519 126.463 -153.419 311.824 PRESSAVG: 1163400 25.7402 11.2705 -21.4522 11.2705 -43.1361 -31.4544 -21.4523 -31.4545 7.07835 GPRESSAVG: 1163400 26.8267 13.0302 -21.9751 9.87005 -42.8228 -29.3946 -21.6534 -32.7145 5.26826 TIMING: 1163400 CPU: 3676.25, 0.00312955/step Wall: 3676.25, 0.00312955/step, 3.33523 hours remaining, 233.207031 MB of memory in use. ENERGY: 1163400 3949.1362 20560.0582 14423.4735 243.5095 -203158.1813 2624.5585 0.0000 0.0000 51875.8864 -109481.5590 298.1314 -161357.4454 -109124.8750 298.6809 135.0487 155.6228 761441.7483 -3.4392 -3.5759 PRESSURE: 1163600 -242.641 33.1254 -410.181 33.1252 -38.9503 -22.5884 -410.181 -22.5895 -107.444 GPRESSURE: 1163600 -211.933 148.117 -394.08 92.99 30.2697 -58.6503 -287.179 -11.0312 -126.72 PRESSAVG: 1163600 34.0135 29.3441 -14.2351 29.3441 0.0934232 16.0508 -14.2351 16.0509 -26.4805 GPRESSAVG: 1163600 33.4239 26.6772 -14.5102 31.8064 0.593229 15.7498 -13.7942 14.3613 -26.4208 TIMING: 1163600 CPU: 3676.88, 0.00315477/step Wall: 3676.88, 0.00315477/step, 3.36193 hours remaining, 233.207031 MB of memory in use. ENERGY: 1163600 3944.9780 20537.0998 14472.0731 237.2456 -203428.8622 2567.6073 0.0000 0.0000 52168.7633 -109501.0951 299.8146 -161669.8584 -109133.0634 298.9822 -129.6782 -102.7947 760055.9275 2.5421 2.5321 PRESSURE: 1163800 -393.271 -143.773 95.8301 -143.774 -233.021 -118.517 95.8296 -118.517 -468.662 GPRESSURE: 1163800 -293.648 -6.02981 126.336 -152.099 -261.336 -114.498 96.8094 105.969 -424.677 PRESSAVG: 1163800 -35.7653 26.8888 -1.54422 26.8887 -7.85672 -56.5631 -1.54417 -56.563 -1.19544 GPRESSAVG: 1163800 -36.5607 29.2711 -1.69609 25.2337 -8.35663 -57.9088 -1.68591 -53.2967 0.27622 TIMING: 1163800 CPU: 3677.51, 0.00314197/step Wall: 3677.51, 0.00314197/step, 3.34811 hours remaining, 233.207031 MB of memory in use. ENERGY: 1163800 4064.0582 20643.3587 14417.8361 268.0914 -203145.8356 2494.4426 0.0000 0.0000 51865.5200 -109392.5285 298.0719 -161258.0485 -109033.2994 299.2880 -364.9846 -326.5538 764217.3167 -14.9391 -14.8804 PRESSURE: 1164000 -164.901 143.678 107.288 143.678 -197.814 199.672 107.288 199.673 -729.353 GPRESSURE: 1164000 -146.526 172.795 151.339 102.433 -177.549 229.438 180.379 140.015 -663.021 PRESSAVG: 1164000 57.2904 -12.0471 34.2499 -12.047 -53.9034 -59.8627 34.25 -59.8627 8.76105 GPRESSAVG: 1164000 59.4268 -10.7525 35.4026 -14.1188 -54.7987 -58.5506 33.4969 -62.1474 7.70814 TIMING: 1164000 CPU: 3678.14, 0.00315066/step Wall: 3678.14, 0.00315066/step, 3.3572 hours remaining, 233.207031 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: 1164000 3988.3042 20652.0272 14430.1125 254.1748 -203105.2094 2447.9055 0.0000 0.0000 51737.2423 -109595.4428 297.3346 -161332.6851 -109236.1092 298.8763 -364.0226 -329.0321 763059.7784 4.0493 4.1121 PRESSURE: 1164200 -288.978 -230.028 -16.1209 -230.027 -456.582 -51.2915 -16.1218 -51.2921 57.6762 GPRESSURE: 1164200 -301.136 -167.939 22.7675 -209.785 -332.983 -81.1083 75.3057 36.1357 43.8011 PRESSAVG: 1164200 -47.9764 -23.346 14.6295 -23.3461 -1.34357 -76.1103 14.6295 -76.1103 -9.16628 GPRESSAVG: 1164200 -50.0367 -23.9631 14.1262 -22.245 0.267474 -76.0338 15.4943 -75.7711 -9.27524 TIMING: 1164200 CPU: 3678.76, 0.00312955/step Wall: 3678.76, 0.00312955/step, 3.33454 hours remaining, 233.207031 MB of memory in use. ENERGY: 1164200 3973.2246 20356.3324 14452.3781 263.0351 -203148.9033 2310.0713 0.0000 0.0000 52289.3234 -109504.5383 300.5075 -161793.8618 -109140.1043 299.1622 -229.2945 -196.7724 760918.7840 -19.4954 -19.6815 LDB: ============= START OF LOAD BALANCING ============== 3691.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3691.3 LDB: =============== DONE WITH MIGRATION ================ 3691.3 LDB: ============= START OF LOAD BALANCING ============== 3691.62 LDB: Largest compute 7053 load 0.029886 is 15.3% of average load 0.195327 LDB: Average compute 0.004368 is 2.2% of average load 0.195327 LDB: TIME 3691.62 LOAD: AVG 0.195327 MAX 0.21864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.391 MB LDB: TIME 3691.62 LOAD: AVG 0.195327 MAX 0.21864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: TIME 3691.62 LOAD: AVG 0.195327 MAX 0.217438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: ============== END OF LOAD BALANCING =============== 3691.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3691.63 PRESSURE: 1164400 -215.521 -105.208 -63.0373 -105.207 -74.5432 192.018 -63.037 192.017 72.3606 GPRESSURE: 1164400 -234.157 -18.5001 -128.062 -28.0902 34.7631 124.799 -142.217 96.0721 52.5204 PRESSAVG: 1164400 1.19756 -39.6601 -15.7655 -39.6602 18.5863 -70.4006 -15.7655 -70.4007 23.7402 GPRESSAVG: 1164400 1.50648 -40.5221 -17.1692 -38.4437 18.1693 -72.498 -17.7134 -68.2588 23.9623 TIMING: 1164400 CPU: 3679.41, 0.00324054/step Wall: 3679.41, 0.00324054/step, 3.45262 hours remaining, 232.878906 MB of memory in use. ENERGY: 1164400 4077.7852 20375.0752 14432.0460 248.4151 -203471.7785 2772.9844 0.0000 0.0000 52047.9193 -109517.5532 299.1201 -161565.4725 -109151.3909 299.0564 -72.5679 -48.9580 761942.6772 14.5080 14.5460 PRESSURE: 1164600 21.7089 131.468 0.808431 131.468 148.02 -266.742 0.809131 -266.742 229.614 GPRESSURE: 1164600 70.4834 235.852 19.3145 129.138 152.55 -282.598 23.6234 -297.11 244.625 PRESSAVG: 1164600 12.2335 -36.8513 18.7949 -36.8513 3.62344 -22.698 18.7949 -22.6981 -10.9115 GPRESSAVG: 1164600 11.2903 -35.191 20.257 -36.3112 4.42601 -20.3628 20.4664 -24.717 -10.825 TIMING: 1164600 CPU: 3680.04, 0.0031602/step Wall: 3680.04, 0.0031602/step, 3.36684 hours remaining, 232.878906 MB of memory in use. ENERGY: 1164600 3988.3517 20321.8497 14467.7438 257.9982 -202711.3931 2384.8836 0.0000 0.0000 51618.8289 -109671.7372 296.6541 -161290.5662 -109313.1492 298.2622 133.1143 155.8860 760610.0333 1.6485 1.6305 PRESSURE: 1164800 -265.808 138.366 100.618 138.366 371.291 -194.696 100.618 -194.697 234.247 GPRESSURE: 1164800 -148.062 147.072 66.9313 94.6294 315.42 -159.508 -106.735 -121.658 266.541 PRESSAVG: 1164800 32.5099 19.4065 -32.6591 19.4066 -12.9406 -1.50856 -32.6592 -1.5086 2.83628 GPRESSAVG: 1164800 33.7312 17.8068 -31.5227 19.1136 -14.7258 -0.152386 -34.3003 -0.767505 3.60325 TIMING: 1164800 CPU: 3680.67, 0.00315943/step Wall: 3680.67, 0.00315943/step, 3.36585 hours remaining, 232.878906 MB of memory in use. ENERGY: 1164800 3987.9963 20305.9811 14482.0562 271.3871 -203885.8410 2833.7291 0.0000 0.0000 52276.9115 -109727.7797 300.4361 -162004.6912 -109361.8335 298.1966 113.2430 144.6327 758267.7642 7.4685 7.5362 PRESSURE: 1165000 62.8419 19.5807 361.744 19.5809 83.2664 -28.9352 361.744 -28.9355 362.563 GPRESSURE: 1165000 117.703 12.2862 329.698 11.856 172.818 -48.483 239.024 -46.3179 295.249 PRESSAVG: 1165000 -19.9492 48.0553 10.8063 48.0552 41.9014 -35.2254 10.8064 -35.2255 -15.166 GPRESSAVG: 1165000 -20.7052 48.5091 9.96373 47.3215 42.5429 -37.3894 10.3608 -33.9883 -15.5745 TIMING: 1165000 CPU: 3681.3, 0.00315322/step Wall: 3681.3, 0.00315323/step, 3.35906 hours remaining, 232.878906 MB of memory in use. ENERGY: 1165000 3961.5952 20278.8814 14398.7206 238.1382 -203528.3730 2879.3733 0.0000 0.0000 52097.4486 -109674.2156 299.4048 -161771.6642 -109301.8732 299.0690 169.5572 195.2568 761281.5021 2.2621 2.0877 PRESSURE: 1165200 -313.95 31.2144 -69.7764 31.2146 274.635 -67.1402 -69.7767 -67.1405 78.1894 GPRESSURE: 1165200 -216.706 -34.8294 -5.24545 76.74 301.314 -36.9554 -21.7309 93.8667 48.3101 PRESSAVG: 1165200 -21.3332 58.9181 -17.6266 58.9181 9.04783 -17.1417 -17.6267 -17.1417 11.1197 GPRESSAVG: 1165200 -21.2955 56.1318 -16.6152 59.5878 9.40445 -16.0589 -18.2937 -18.8441 10.8554 TIMING: 1165200 CPU: 3681.93, 0.00313981/step Wall: 3681.93, 0.00313981/step, 3.3446 hours remaining, 232.878906 MB of memory in use. ENERGY: 1165200 3954.0971 20472.4577 14419.2271 234.6778 -203770.0068 2997.9707 0.0000 0.0000 51913.7972 -109777.7794 298.3493 -161691.5766 -109417.2965 298.3595 12.9583 44.3062 761117.9145 -0.3886 -0.3452 PRESSURE: 1165400 32.7088 -24.0808 132.836 -24.0814 217.029 52.6915 132.837 52.6919 85.8919 GPRESSURE: 1165400 88.5637 -80.0912 112.224 -22.4492 206.572 24.8878 214.241 -18.9277 130.123 PRESSAVG: 1165400 -6.85094 -3.51587 9.81755 -3.51587 -13.5261 -39.3012 9.81752 -39.3012 16.1262 GPRESSAVG: 1165400 -7.31878 -0.731429 8.61816 -3.30286 -14.4172 -38.4335 11.9141 -39.1092 17.1698 TIMING: 1165400 CPU: 3682.56, 0.00315922/step Wall: 3682.56, 0.00315922/step, 3.36509 hours remaining, 232.878906 MB of memory in use. ENERGY: 1165400 3948.5995 20332.4437 14464.4481 263.9048 -203224.2576 2471.6567 0.0000 0.0000 52110.1640 -109633.0407 299.4778 -161743.2048 -109266.7478 298.0367 111.8767 141.7530 763155.9625 -1.4170 -1.5221 PRESSURE: 1165600 128.924 5.40615 11.142 5.40653 68.3229 25.0752 11.1426 25.0745 106.405 GPRESSURE: 1165600 171.325 -1.47424 65.7787 42.6257 123.775 102.145 40.4416 -97.4452 91.4224 PRESSAVG: 1165600 14.1549 -32.7989 -28.9043 -32.799 -13.7904 -38.2516 -28.9044 -38.2517 -1.95662 GPRESSAVG: 1165600 15.566 -32.2613 -26.9904 -32.4685 -14.4514 -40.1182 -30.6449 -35.8511 -2.84249 TIMING: 1165600 CPU: 3683.19, 0.00314384/step Wall: 3683.19, 0.00314384/step, 3.34854 hours remaining, 232.878906 MB of memory in use. ENERGY: 1165600 4010.9646 20371.0123 14426.8091 233.5859 -203701.2164 3019.9531 0.0000 0.0000 51964.6132 -109674.2782 298.6413 -161638.8914 -109309.6379 298.5203 101.2174 128.8406 762246.4727 -0.5307 -0.5760 PRESSURE: 1165800 -257.817 -132.305 -1.40597 -132.306 -297.987 -83.5815 -1.40439 -83.5819 -362.811 GPRESSURE: 1165800 -200.239 -110.857 4.43098 -26.2768 -243.725 -47.3789 -114.185 62.5224 -387.926 PRESSAVG: 1165800 48.968 -9.16516 -9.01125 -9.16509 -29.1634 4.22775 -9.01117 4.22777 -22.7182 GPRESSAVG: 1165800 48.0202 -9.91826 -11.7167 -11.0796 -28.7297 5.28718 -7.62053 3.84172 -22.1658 TIMING: 1165800 CPU: 3683.82, 0.00313631/step Wall: 3683.82, 0.00313631/step, 3.34035 hours remaining, 232.878906 MB of memory in use. ENERGY: 1165800 4014.5858 20432.3232 14439.6874 250.4812 -202979.2168 2267.8038 0.0000 0.0000 51752.6454 -109821.6900 297.4232 -161574.3354 -109463.6955 298.3135 -306.2052 -277.2970 762921.9838 -0.9712 -0.9584 PRESSURE: 1166000 89.3771 212.595 -36.841 212.596 -107.382 24.4876 -36.8414 24.4875 418.257 GPRESSURE: 1166000 64.7976 193.187 31.7008 152.437 16.4041 -1.64004 -100.465 -16.9143 392.405 PRESSAVG: 1166000 -59.538 2.604 41.6573 2.60403 38.9666 47.0281 41.6573 47.0281 13.0191 GPRESSAVG: 1166000 -59.9778 3.71714 44.7838 1.60683 39.9361 47.5784 39.5278 45.629 13.0309 TIMING: 1166000 CPU: 3684.45, 0.00315126/step Wall: 3684.45, 0.00315126/step, 3.35609 hours remaining, 232.878906 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: 1166000 3973.8261 20589.6671 14412.7865 239.3685 -203534.4991 2802.7308 0.0000 0.0000 51543.3026 -109972.8175 296.2201 -161516.1201 -109623.0295 297.9577 133.4174 157.8689 762346.8359 -2.5174 -2.3369 PRESSURE: 1166200 291.021 -114.927 63.1714 -114.928 105.262 -68.6702 63.171 -68.6697 65.7261 GPRESSURE: 1166200 340.139 -77.0591 21.2797 -178.97 209.069 -75.4734 -16.745 -50.7093 15.4311 PRESSAVG: 1166200 18.2845 -22.9778 29.9245 -22.9778 -57.9753 -23.1079 29.9245 -23.1079 -4.97673 GPRESSAVG: 1166200 18.1565 -22.1434 29.2658 -22.0263 -58.8512 -23.6913 30.9383 -22.2944 -3.99172 TIMING: 1166200 CPU: 3685.08, 0.00313853/step Wall: 3685.08, 0.00313853/step, 3.34236 hours remaining, 232.878906 MB of memory in use. ENERGY: 1166200 3980.0378 20323.4727 14431.6925 238.7965 -203791.9869 2916.5048 0.0000 0.0000 51894.2000 -110007.2826 298.2367 -161901.4826 -109636.0497 297.5343 154.0030 188.2132 762650.2129 -14.8892 -14.8955 PRESSURE: 1166400 13.2535 152.199 -257.611 152.199 40.1494 78.1609 -257.611 78.1608 20.8308 GPRESSURE: 1166400 78.8638 189.947 -215.221 121.748 52.1782 76.0692 -321.157 100.71 26.9817 PRESSAVG: 1166400 -5.75317 -23.4594 47.235 -23.4594 -46.1724 -29.5411 47.235 -29.5411 -9.81775 GPRESSAVG: 1166400 -4.77998 -23.6096 47.8467 -23.7685 -45.7336 -27.8577 47.4321 -30.8931 -11.3818 TIMING: 1166400 CPU: 3685.71, 0.00313402/step Wall: 3685.71, 0.00313402/step, 3.33738 hours remaining, 232.878906 MB of memory in use. ENERGY: 1166400 3984.9736 20517.6672 14478.5509 228.4570 -203695.5448 2880.2567 0.0000 0.0000 51963.6170 -109642.0224 298.6356 -161605.6394 -109277.5920 297.9122 24.7445 52.6745 762854.0456 -20.5811 -20.6318 PRESSURE: 1166600 238.885 -19.8722 -23.994 -19.8721 -210.04 -178.918 -23.9946 -178.919 -29.1203 GPRESSURE: 1166600 154.218 59.9003 29.4844 -85.7996 -148.067 -181.364 109.912 -48.2521 72.3887 PRESSAVG: 1166600 10.7739 7.66129 -37.7067 7.66123 -14.317 -30.7112 -37.7068 -30.7112 11.2478 GPRESSAVG: 1166600 9.81306 5.74257 -39.6741 9.78148 -15.1672 -31.571 -36.7195 -29.9472 11.9737 TIMING: 1166600 CPU: 3686.33, 0.00312629/step Wall: 3686.33, 0.00312629/step, 3.32898 hours remaining, 232.878906 MB of memory in use. ENERGY: 1166600 4040.3506 20548.6626 14398.1625 240.1401 -203389.4663 2757.9003 0.0000 0.0000 52083.9480 -109320.3022 299.3272 -161404.2502 -108961.9373 298.8926 -0.0919 26.1796 762963.6922 2.5683 2.2065 PRESSURE: 1166800 -141.465 -229.343 205.841 -229.343 -8.00037 -206.493 205.841 -206.492 -120.232 GPRESSURE: 1166800 -168.95 -208.32 178.035 -215.912 19.9553 -131.128 154.808 -232.093 -53.3742 PRESSAVG: 1166800 -40.2637 -48.3324 58.1383 -48.3323 14.1041 -37.4264 58.1384 -37.4264 7.06053 GPRESSAVG: 1166800 -39.4135 -47.8245 57.5775 -48.7837 14.4766 -34.9868 57.9131 -36.6972 5.37698 TIMING: 1166800 CPU: 3686.96, 0.00313057/step Wall: 3686.96, 0.00313057/step, 3.33337 hours remaining, 232.878906 MB of memory in use. ENERGY: 1166800 3914.8602 20636.5437 14380.8156 246.5747 -203689.2530 2713.1715 0.0000 0.0000 51999.3777 -109797.9095 298.8411 -161797.2872 -109433.7613 298.7259 -89.8990 -67.4564 763026.1590 -6.3664 -6.5200 PRESSURE: 1167000 159.838 -137.937 126.669 -137.937 -24.7085 21.854 126.67 21.8541 24.6578 GPRESSURE: 1167000 162.291 -222.928 82.5601 -109.089 34.283 17.0957 167.628 -89.9732 36.7252 PRESSAVG: 1167000 27.2949 -55.914 30.9953 -55.914 -8.61267 -34.6533 30.9954 -34.6533 -24.3709 GPRESSAVG: 1167000 25.824 -56.0456 33.0403 -56.8175 -8.6234 -36.6077 31.0843 -33.6347 -23.0385 TIMING: 1167000 CPU: 3687.58, 0.0031391/step Wall: 3687.58, 0.0031391/step, 3.34227 hours remaining, 232.878906 MB of memory in use. ENERGY: 1167000 3999.2943 20413.1484 14447.5192 243.1776 -203699.7868 3020.7471 0.0000 0.0000 51976.2088 -109599.6913 298.7080 -161575.9001 -109233.6263 298.2460 53.2625 77.7664 763466.1220 -1.8962 -1.9460 PRESSURE: 1167200 -538.461 43.1141 -38.8945 43.1135 -187.084 -63.1193 -38.8957 -63.1189 3.40532 GPRESSURE: 1167200 -390.381 -24.1707 100.69 -33.9009 -135.97 -52.5108 -40.3473 -80.719 -95.977 PRESSAVG: 1167200 13.5953 -6.41631 4.94887 -6.41636 -14.6083 -18.7385 4.94886 -18.7385 26.7258 GPRESSAVG: 1167200 15.7373 -6.96962 3.9525 -7.69314 -15.6888 -20.0895 2.83415 -18.6798 25.1612 TIMING: 1167200 CPU: 3688.21, 0.00313208/step Wall: 3688.21, 0.00313208/step, 3.33462 hours remaining, 232.878906 MB of memory in use. ENERGY: 1167200 4003.9020 20350.8453 14492.2903 233.1210 -203501.9318 2605.9990 0.0000 0.0000 52083.6942 -109732.0800 299.3257 -161815.7742 -109368.6107 298.6857 -240.7132 -207.4424 763770.5712 8.5709 8.4032 PRESSURE: 1167400 15.9274 -38.8155 -110.058 -38.814 160.75 69.6448 -110.058 69.6448 -168.734 GPRESSURE: 1167400 111.178 27.4489 -49.5605 6.7599 144.724 -51.6255 -42.4264 82.4558 -179.283 PRESSAVG: 1167400 -17.4903 -28.9663 -12.2205 -28.9662 -17.4368 -26.4455 -12.2205 -26.4455 -29.4314 GPRESSAVG: 1167400 -17.4763 -28.2961 -11.5278 -26.7205 -17.0401 -25.1167 -10.3732 -27.353 -29.628 TIMING: 1167400 CPU: 3688.84, 0.00315918/step Wall: 3688.84, 0.00315918/step, 3.3633 hours remaining, 232.878906 MB of memory in use. ENERGY: 1167400 4022.1879 20541.9177 14364.2315 237.8933 -203647.7310 2867.2372 0.0000 0.0000 51787.8416 -109826.4217 297.6254 -161614.2633 -109463.2050 298.3958 2.6479 25.5398 763625.0639 -21.4528 -21.3815 PRESSURE: 1167600 -84.8613 -1.28171 -4.26194 -1.28136 127.542 -211.3 -4.26151 -211.3 337.671 GPRESSURE: 1167600 12.4727 -65.8254 -21.9351 129.312 137.666 -286.479 42.9351 -168.089 328.047 PRESSAVG: 1167600 -20.0474 -1.03314 -82.938 -1.03314 25.5866 7.98421 -82.938 7.9842 -3.92089 GPRESSAVG: 1167600 -19.4527 -0.961202 -81.9331 -2.83376 25.3152 7.13474 -82.6223 7.57637 -3.42107 TIMING: 1167600 CPU: 3689.47, 0.00316061/step Wall: 3689.47, 0.00316061/step, 3.36465 hours remaining, 232.878906 MB of memory in use. ENERGY: 1167600 3875.4430 20474.5903 14404.3475 230.6907 -203851.2492 2970.5000 0.0000 0.0000 51975.0852 -109920.5924 298.7015 -161895.6776 -109557.5568 298.0345 126.7838 159.3949 761185.4700 0.5394 0.8138 PRESSURE: 1167800 -276.765 -69.2456 -34.9908 -69.2458 -183.257 -110.16 -34.9925 -110.159 -282.477 GPRESSURE: 1167800 -211.027 -103.542 -84.461 -18.7889 -209.814 -56.0449 -27.1508 -119.721 -241.535 PRESSAVG: 1167800 69.7589 -4.41153 0.153755 -4.4115 -33.453 -20.7504 0.153847 -20.7505 -10.9044 GPRESSAVG: 1167800 68.9592 -5.92239 -1.73889 -3.862 -34.5265 -20.365 -0.0125013 -23.1785 -9.16157 TIMING: 1167800 CPU: 3690.1, 0.00314828/step Wall: 3690.1, 0.00314828/step, 3.35134 hours remaining, 232.878906 MB of memory in use. ENERGY: 1167800 3959.7641 20425.5587 14500.6274 256.4602 -203527.8936 2815.0266 0.0000 0.0000 51880.9696 -109689.4870 298.1606 -161570.4565 -109328.3040 298.2071 -247.4995 -220.7918 763401.6440 8.4671 8.4237 PRESSURE: 1168000 -336.675 -206.404 175.888 -206.404 -68.6288 62.186 175.889 62.186 -179.633 GPRESSURE: 1168000 -295.63 -151.767 190.146 -161.415 -34.226 92.8426 107.207 109.99 -164.803 PRESSAVG: 1168000 6.58768 -24.7978 -4.51851 -24.7978 -16.5174 -5.57801 -4.51854 -5.57793 19.2731 GPRESSAVG: 1168000 5.41444 -23.7019 -4.07855 -26.4341 -14.9614 -6.71858 -4.44048 -4.33812 18.8162 TIMING: 1168000 CPU: 3690.73, 0.00314211/step Wall: 3690.73, 0.00314211/step, 3.34461 hours remaining, 232.878906 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: 1168000 4019.0827 20319.0782 14511.6223 245.0892 -202969.9479 2357.3278 0.0000 0.0000 51832.7477 -109684.9999 297.8835 -161517.7476 -109323.3982 298.1454 -194.9792 -164.8864 763635.8204 3.1145 3.0898 PRESSURE: 1168200 20.5129 65.7537 11.6652 65.7535 -88.8998 -75.0163 11.6655 -75.0163 119.712 GPRESSURE: 1168200 78.7874 24.2481 -72.1336 85.1848 -123.145 -149.814 -73.0592 -17.105 162.741 PRESSAVG: 1168200 40.8102 -29.66 -31.0815 -29.6599 -8.85661 -40.5561 -31.0815 -40.556 2.9626 GPRESSAVG: 1168200 41.2474 -28.3868 -30.7196 -28.0286 -8.8954 -41.0076 -32.5625 -38.3252 1.85495 TIMING: 1168200 CPU: 3691.36, 0.00314655/step Wall: 3691.36, 0.00314655/step, 3.34915 hours remaining, 232.878906 MB of memory in use. ENERGY: 1168200 3964.5537 20322.8174 14437.9133 242.5115 -203365.5898 2623.5349 0.0000 0.0000 52058.8132 -109715.4457 299.1827 -161774.2588 -109352.9207 298.7005 17.1084 39.4612 759984.3582 11.6387 11.4023 LDB: ============= START OF LOAD BALANCING ============== 3703.9 LDB: ============== END OF LOAD BALANCING =============== 3703.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3703.9 LDB: ============= START OF LOAD BALANCING ============== 3704.22 LDB: Largest compute 7042 load 0.031684 is 16.2% of average load 0.195310 LDB: Average compute 0.004396 is 2.3% of average load 0.195310 LDB: TIME 3704.22 LOAD: AVG 0.19531 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.906 MB LDB: TIME 3704.22 LOAD: AVG 0.19531 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.906 MB LDB: TIME 3704.22 LOAD: AVG 0.19531 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.906 MB LDB: ============== END OF LOAD BALANCING =============== 3704.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3704.23 PRESSURE: 1168400 -167.832 60.7496 -28.6712 60.7496 -251.017 109.954 -28.67 109.953 -17.1271 GPRESSURE: 1168400 -175.286 9.04724 30.1673 128.929 -151.686 94.1577 -185.72 195.802 -42.6284 PRESSAVG: 1168400 27.8915 -22.3109 -32.941 -22.3109 -23.5843 13.5712 -32.9411 13.5712 20.7959 GPRESSAVG: 1168400 27.0977 -21.8139 -32.6455 -23.47 -23.1586 15.1794 -34.355 13.5452 21.1944 TIMING: 1168400 CPU: 3692.01, 0.00323949/step Wall: 3692.01, 0.00323949/step, 3.4479 hours remaining, 233.957031 MB of memory in use. ENERGY: 1168400 3925.2677 20401.1837 14558.5896 243.3043 -203507.2724 2623.7531 0.0000 0.0000 51967.1454 -109788.0285 298.6559 -161755.1739 -109423.6151 297.9626 -145.3254 -123.2001 761248.3468 8.3677 8.3778 PRESSURE: 1168600 -152.52 -182.35 -404.191 -182.35 -162.466 2.23965 -404.191 2.23926 -115.076 GPRESSURE: 1168600 -184.754 -291.372 -310.467 -170.364 -96.76 -11.5781 -397.352 18.4403 -56.1921 PRESSAVG: 1168600 35.0058 -0.054909 -19.8132 -0.0548537 -26.2596 7.32155 -19.8133 7.32151 6.97874 GPRESSAVG: 1168600 34.7684 -0.397012 -18.8457 0.149471 -26.6205 7.94372 -18.6998 4.20433 7.21008 TIMING: 1168600 CPU: 3692.64, 0.0031562/step Wall: 3692.64, 0.0031562/step, 3.35908 hours remaining, 234.160156 MB of memory in use. ENERGY: 1168600 4011.9426 20351.6698 14497.0838 266.0525 -203769.6728 2887.8011 0.0000 0.0000 51890.9292 -109864.1938 298.2179 -161755.1230 -109494.5914 298.1444 -143.3543 -112.5689 761710.0261 5.2417 5.1193 PRESSURE: 1168800 574.185 -101.575 126.93 -101.574 112.548 -192.929 126.93 -192.929 90.221 GPRESSURE: 1168800 682.307 -89.8279 145.092 -6.75114 63.1625 -251.703 112.938 -195.084 86.7146 PRESSAVG: 1168800 54.5019 -0.0550134 1.58325 -0.055048 -2.22445 29.3796 1.58328 29.3796 -7.8176 GPRESSAVG: 1168800 55.395 -0.933559 -0.0434474 -0.191278 -3.81114 28.0481 2.18916 31.0332 -7.20713 TIMING: 1168800 CPU: 3693.27, 0.00314481/step Wall: 3693.27, 0.00314481/step, 3.34678 hours remaining, 234.160156 MB of memory in use. ENERGY: 1168800 3930.0316 20499.7683 14536.8868 262.1199 -203767.4800 2665.1532 0.0000 0.0000 51973.0633 -109900.4570 298.6899 -161873.5202 -109535.5255 298.2074 258.9846 277.3946 760773.4891 14.8200 14.7923 PRESSURE: 1169000 -94.5689 -53.6212 -167.916 -53.6205 -102.553 54.4494 -167.916 54.4502 462.071 GPRESSURE: 1169000 -61.4406 -187.686 -129.873 -36.0289 -13.8332 86.0132 -231.877 73.0523 439.648 PRESSAVG: 1169000 3.0762 45.219 -82.6933 45.219 -38.9102 -27.8747 -82.6933 -27.8746 -12.7244 GPRESSAVG: 1169000 1.87152 45.0393 -82.0102 44.9807 -38.2726 -28.4537 -82.3674 -28.1897 -12.0629 TIMING: 1169000 CPU: 3693.9, 0.00316868/step Wall: 3693.9, 0.00316868/step, 3.372 hours remaining, 234.160156 MB of memory in use. ENERGY: 1169000 3958.3805 20442.0708 14536.3423 254.1883 -203666.6835 2789.4545 0.0000 0.0000 51945.3042 -109740.9429 298.5304 -161686.2471 -109385.6499 298.2523 88.3163 121.4580 760848.8095 -16.1861 -16.1547 PRESSURE: 1169200 63.5114 -103.154 -218.842 -103.155 79.1623 211.791 -218.843 211.791 -530.991 GPRESSURE: 1169200 104.224 86.5094 -217.813 -83.991 116.702 98.222 -204.696 115.131 -527.869 PRESSAVG: 1169200 -2.43587 -4.88261 10.7457 -4.88265 17.7942 13.9646 10.7457 13.9645 -7.06763 GPRESSAVG: 1169200 -1.44274 -4.63121 11.3792 -3.6044 18.0515 13.4357 9.62626 14.7848 -8.13149 TIMING: 1169200 CPU: 3694.53, 0.00315306/step Wall: 3694.53, 0.00315306/step, 3.35521 hours remaining, 234.160156 MB of memory in use. ENERGY: 1169200 4013.9579 20445.5410 14532.2473 240.5110 -203646.5815 2776.5114 0.0000 0.0000 51799.4602 -109838.3528 297.6922 -161637.8129 -109481.0327 298.3667 -129.4392 -102.3145 760148.2631 2.7636 2.8257 PRESSURE: 1169400 -265.349 -164.01 -47.1939 -164.011 38.3758 -1.78309 -47.1936 -1.78326 -459.09 GPRESSURE: 1169400 -231.911 -87.3305 -54.8226 -68.8131 -4.3666 -87.2415 -9.91957 18.8058 -376.436 PRESSAVG: 1169400 8.28858 9.62117 -22.2823 9.62114 -4.53351 37.9938 -22.2823 37.9939 27.2226 GPRESSAVG: 1169400 7.61118 8.68774 -24.1146 11.3434 -3.48148 40.9815 -20.5456 36.0433 27.468 TIMING: 1169400 CPU: 3695.16, 0.00315064/step Wall: 3695.16, 0.00315064/step, 3.35246 hours remaining, 234.160156 MB of memory in use. ENERGY: 1169400 3959.9683 20532.5899 14510.7333 260.8991 -203622.6780 2796.2220 0.0000 0.0000 51569.6345 -109992.6307 296.3714 -161562.2652 -109633.8179 298.3078 -228.6878 -204.2381 762601.7463 10.3259 10.5326 PRESSURE: 1169600 -293.736 -26.451 -139.172 -26.4509 -122.393 -151.438 -139.173 -151.438 -220.473 GPRESSURE: 1169600 -275.971 -107.719 -170.961 13.2686 20.2217 -166.146 -131.106 -59.305 -280.416 PRESSAVG: 1169600 -71.0235 -34.1367 -40.2338 -34.1366 11.1265 49.3523 -40.2338 49.3523 -10.9843 GPRESSAVG: 1169600 -71.1953 -33.1532 -38.74 -35.5785 10.197 48.5378 -40.6096 51.1492 -10.1526 TIMING: 1169600 CPU: 3695.79, 0.00314866/step Wall: 3695.79, 0.00314866/step, 3.35017 hours remaining, 234.160156 MB of memory in use. ENERGY: 1169600 3982.2095 20519.3906 14556.1129 231.2468 -203390.4606 2607.4019 0.0000 0.0000 51619.3382 -109874.7608 296.6570 -161494.0990 -109523.2598 297.8595 -212.2008 -178.7219 762402.5955 -23.6271 -23.7170 PRESSURE: 1169800 5.42593 82.3326 30.2303 82.3324 -582.165 -5.69493 30.2307 -5.69575 -48.6171 GPRESSURE: 1169800 45.5143 -20.9118 41.8661 122.049 -495.682 -25.0076 37.4485 124.588 -99.2332 PRESSAVG: 1169800 6.61356 57.7147 26.5684 57.7146 -1.00481 36.8851 26.5683 36.8851 20.6815 GPRESSAVG: 1169800 8.08927 56.1569 25.7258 58.2948 -1.79381 36.5515 26.6771 37.7324 20.0867 TIMING: 1169800 CPU: 3696.42, 0.00314844/step Wall: 3696.42, 0.00314844/step, 3.34976 hours remaining, 234.160156 MB of memory in use. ENERGY: 1169800 3973.2574 20497.5785 14449.5721 264.2021 -203178.2927 2281.3823 0.0000 0.0000 51959.9620 -109752.3383 298.6146 -161712.3004 -109388.3924 298.1389 -208.4522 -183.1336 761935.7424 8.7634 8.7940 PRESSURE: 1170000 -164.739 222.269 -147.566 222.269 -74.3332 179.086 -147.567 179.086 -231.289 GPRESSURE: 1170000 26.1634 75.6887 -136.726 216.158 -182.825 181.893 -108.352 154.045 -243.854 PRESSAVG: 1170000 56.7732 52.9654 24.9259 52.9654 -31.1463 36.3852 24.9259 36.3852 2.11302 GPRESSAVG: 1170000 56.251 53.558 24.6591 52.7765 -31.8152 35.713 23.5912 34.8399 3.70564 TIMING: 1170000 CPU: 3697.06, 0.00316174/step Wall: 3697.06, 0.00316174/step, 3.36374 hours remaining, 234.160156 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: 1170000 3992.0654 20357.9560 14496.8356 251.2232 -203560.3405 2631.8231 0.0000 0.0000 52115.4456 -109714.9916 299.5082 -161830.4372 -109339.9385 298.4125 -156.7873 -133.5052 761032.6905 9.2467 9.3805 PRESSURE: 1170200 -78.9768 -25.5836 107.79 -25.5828 1.7569 123.443 107.789 123.444 -200.102 GPRESSURE: 1170200 -36.7827 -17.4095 188.776 -63.3822 -5.47956 196.108 -3.39636 51.8973 -164.825 PRESSAVG: 1170200 -23.1005 33.814 -3.70307 33.814 -46.7112 -20.905 -3.7031 -20.905 -22.3955 GPRESSAVG: 1170200 -23.764 35.3759 -3.80494 33.9805 -45.2185 -20.2884 -1.32157 -21.5185 -24.0133 TIMING: 1170200 CPU: 3697.68, 0.00314207/step Wall: 3697.68, 0.00314207/step, 3.34264 hours remaining, 234.160156 MB of memory in use. ENERGY: 1170200 3963.7483 20580.1901 14518.0551 255.3959 -203155.1904 2276.5772 0.0000 0.0000 51942.5800 -109618.6439 298.5147 -161561.2239 -109256.9446 298.8318 -92.4405 -69.0290 761439.5887 -30.7357 -30.9986 PRESSURE: 1170400 130.948 50.4686 170.283 50.4685 -102.211 137.001 170.282 137.002 -222.098 GPRESSURE: 1170400 150.467 39.7046 176.654 -0.469051 -82.4463 89.859 107.879 144.135 -181.506 PRESSAVG: 1170400 6.53475 -13.0325 1.19969 -13.0325 -31.8403 -23.0858 1.19971 -23.0858 20.5731 GPRESSAVG: 1170400 7.71373 -14.5425 2.06266 -12.8319 -33.2028 -24.1811 0.874095 -21.0178 20.7866 TIMING: 1170400 CPU: 3698.31, 0.00314282/step Wall: 3698.31, 0.00314282/step, 3.34326 hours remaining, 234.160156 MB of memory in use. ENERGY: 1170400 4007.5869 20478.3275 14482.1523 254.6738 -203282.7895 2564.8931 0.0000 0.0000 51888.0647 -109607.0912 298.2014 -161495.1560 -109244.8019 298.2519 -64.4538 -37.8284 763389.2742 -1.5775 -1.5675 PRESSURE: 1170600 50.0116 -175.007 -47.1287 -175.006 -167.314 51.6599 -47.1289 51.6614 -43.8387 GPRESSURE: 1170600 121.364 -259.385 -45.3761 -198.925 -211.683 51.3588 27.9759 -49.8459 30.8025 PRESSAVG: 1170600 -20.6922 -51.3279 -24.3116 -51.3279 27.3175 13.6715 -24.3116 13.6716 0.590289 GPRESSAVG: 1170600 -21.1321 -48.4606 -24.6747 -53.4092 27.8007 14.1672 -22.3591 13.1671 0.143955 TIMING: 1170600 CPU: 3698.94, 0.00315344/step Wall: 3698.94, 0.00315344/step, 3.35439 hours remaining, 234.160156 MB of memory in use. ENERGY: 1170600 4089.5955 20468.8159 14534.1742 249.2835 -203173.3525 2417.7088 0.0000 0.0000 51818.2601 -109595.5145 297.8003 -161413.7746 -109240.7106 298.9537 -53.7137 -19.8389 761021.6002 2.4052 2.2709 PRESSURE: 1170800 -170.981 217.207 -110.672 217.207 -360.776 -47.5512 -110.672 -47.552 -63.7197 GPRESSURE: 1170800 -163.116 234.247 -118.724 295.499 -322.195 -102.506 -168.95 -112.673 -11.6296 PRESSAVG: 1170800 38.6897 9.47187 74.0761 9.47172 -13.4421 4.64929 74.0761 4.64935 -4.44312 GPRESSAVG: 1170800 37.75 8.00451 74.0522 13.5198 -13.5566 4.93426 72.0439 5.13612 -3.65801 TIMING: 1170800 CPU: 3699.57, 0.00314689/step Wall: 3699.57, 0.00314689/step, 3.34725 hours remaining, 234.160156 MB of memory in use. ENERGY: 1170800 4006.2653 20651.1875 14503.0891 255.8350 -203288.0970 2279.4395 0.0000 0.0000 52244.5789 -109347.7017 300.2503 -161592.2806 -108980.9746 299.3081 -198.4922 -165.6471 761307.4751 6.9348 6.8451 PRESSURE: 1171000 22.1449 -128.933 -70.8408 -128.933 181.871 80.5 -70.8416 80.5001 311.177 GPRESSURE: 1171000 101.473 -231.536 46.6696 -147.325 210.643 -0.388243 -72.7836 165.454 318.998 PRESSAVG: 1171000 -17.5956 -12.5484 31.7028 -12.5484 30.5246 -75.7202 31.7028 -75.7202 9.0191 GPRESSAVG: 1171000 -18.0026 -13.7092 31.2095 -14.959 30.7832 -76.7133 33.6452 -76.0105 8.68337 TIMING: 1171000 CPU: 3700.2, 0.00314667/step Wall: 3700.2, 0.00314667/step, 3.34683 hours remaining, 234.160156 MB of memory in use. ENERGY: 1171000 4061.7555 20473.0764 14477.0602 251.1499 -203590.3335 2860.8994 0.0000 0.0000 51940.0809 -109526.3111 298.5004 -161466.3920 -109170.1061 299.4872 171.7309 210.3711 760172.3131 7.3160 7.1547 PRESSURE: 1171200 -125.319 136.518 -10.316 136.517 -134.041 27.9936 -10.3159 27.9933 49.0682 GPRESSURE: 1171200 -126.913 217.153 61.2057 196.794 -80.0001 33.0704 -73.8094 -66.3961 89.0894 PRESSAVG: 1171200 -95.3102 -2.33339 -17.6668 -2.33342 47.2948 -23.2342 -17.6668 -23.2343 -10.5273 GPRESSAVG: 1171200 -95.204 0.44487 -16.7212 -0.948738 47.1045 -22.5005 -18.9516 -25.2888 -10.4259 TIMING: 1171200 CPU: 3700.83, 0.00315936/step Wall: 3700.83, 0.00315936/step, 3.36015 hours remaining, 234.160156 MB of memory in use. ENERGY: 1171200 4069.9804 20474.2669 14545.1681 270.9440 -203430.3881 2439.7198 0.0000 0.0000 52056.8595 -109573.4494 299.1715 -161630.3089 -109207.5354 299.1049 -70.0971 -39.2745 759246.4234 -19.5142 -19.5085 PRESSURE: 1171400 -98.2269 77.3866 26.6884 77.3865 -272.109 -0.814526 26.6885 -0.815152 -145.229 GPRESSURE: 1171400 -109.06 73.8809 -59.8063 97.638 -235.922 13.2373 21.1454 15.9303 -75.6571 PRESSAVG: 1171400 -8.71114 25.2937 44.2348 25.2937 25.4078 28.2899 44.2349 28.29 -19.7971 GPRESSAVG: 1171400 -8.38784 22.1016 44.5592 25.8777 25.45 28.0509 43.4402 29.1685 -20.5777 TIMING: 1171400 CPU: 3701.47, 0.0031638/step Wall: 3701.47, 0.0031638/step, 3.3647 hours remaining, 234.160156 MB of memory in use. ENERGY: 1171400 3994.3342 20492.1463 14511.0572 241.5577 -203593.1278 2707.1973 0.0000 0.0000 52006.4281 -109640.4071 298.8817 -161646.8351 -109283.3399 298.9948 -171.8551 -140.2130 761533.8926 -1.0335 -1.1719 PRESSURE: 1171600 -120.969 283.837 -40.0021 283.838 -22.2976 340.854 -40.0015 340.855 -83.3498 GPRESSURE: 1171600 -17.5921 340.801 -2.10557 221.39 -46.0076 307.03 22.3498 273.231 -38.8267 PRESSAVG: 1171600 -11.274 -16.543 11.9551 -16.543 22.7103 31.299 11.9551 31.2991 8.47729 GPRESSAVG: 1171600 -12.7775 -15.2837 11.7341 -16.4797 23.0443 31.791 11.7424 31.1246 9.4332 TIMING: 1171600 CPU: 3702.1, 0.00315141/step Wall: 3702.1, 0.00315141/step, 3.35135 hours remaining, 234.160156 MB of memory in use. ENERGY: 1171600 3958.3935 20615.6435 14487.1040 222.2087 -203067.8310 2299.3113 0.0000 0.0000 51933.3526 -109551.8174 298.4617 -161485.1700 -109204.9539 299.1399 -75.5389 -34.1421 760882.7437 6.6379 6.5667 PRESSURE: 1171800 -181.654 133.355 -104.601 133.355 -63.7681 62.6474 -104.602 62.6472 -262.272 GPRESSURE: 1171800 -204.887 133.557 -212.574 118.034 15.7484 53.839 -67.8427 121.165 -250.005 PRESSAVG: 1171800 -12.1577 0.672243 20.4099 0.672283 -0.931888 29.3393 20.4099 29.3394 -13.7441 GPRESSAVG: 1171800 -10.0676 0.6892 20.1607 -1.36795 -2.07244 29.4062 19.4532 27.9564 -14.962 TIMING: 1171800 CPU: 3702.73, 0.00316304/step Wall: 3702.73, 0.00316304/step, 3.36354 hours remaining, 234.160156 MB of memory in use. ENERGY: 1171800 4024.3075 20445.4839 14530.3243 248.8849 -203423.4924 2661.4053 0.0000 0.0000 51777.4847 -109735.6019 297.5659 -161513.0866 -109378.8645 298.4633 -169.2315 -146.3809 760899.1537 -8.9446 -9.0340 PRESSURE: 1172000 129.266 216.412 -111.988 216.412 223.189 -155.962 -111.988 -155.963 152.476 GPRESSURE: 1172000 167.146 184.64 -122.325 117.412 179.07 -148.084 -178.384 -159.604 250.778 PRESSAVG: 1172000 28.2891 27.7919 12.1546 27.7919 17.5253 21.2003 12.1545 21.2003 2.25666 GPRESSAVG: 1172000 27.0607 28.2293 11.6827 29.1414 18.2159 22.8474 14.4128 20.6023 3.3673 TIMING: 1172000 CPU: 3703.36, 0.00314251/step Wall: 3703.36, 0.00314251/step, 3.34154 hours remaining, 234.160156 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: 1172000 4022.3490 20567.0007 14530.6021 230.3202 -203946.0826 2880.4160 0.0000 0.0000 51894.8307 -109820.5638 298.2403 -161715.3946 -109460.3790 298.6873 168.3101 198.9980 760454.0849 16.0237 16.2146 PRESSURE: 1172200 -20.12 -38.8295 78.8459 -38.8299 -74.0311 -251.836 78.8457 -251.836 -312.934 GPRESSURE: 1172200 -9.84509 92.1921 161.677 46.7613 -86.2722 -296.386 -3.49697 -197.837 -227.858 PRESSAVG: 1172200 77.3477 -3.51468 -17.7722 -3.51465 -41.709 3.0982 -17.7722 3.09826 12.0196 GPRESSAVG: 1172200 78.2574 -3.91776 -18.4036 -3.17881 -42.0348 1.20054 -17.4196 6.43695 10.8105 TIMING: 1172200 CPU: 3703.99, 0.00313901/step Wall: 3703.99, 0.00313901/step, 3.33764 hours remaining, 234.160156 MB of memory in use. ENERGY: 1172200 4005.9003 20504.2812 14478.0099 240.1470 -203472.9631 2631.1784 0.0000 0.0000 51853.7245 -109759.7219 298.0041 -161613.4464 -109399.8077 298.7175 -135.6951 -107.9918 760319.7730 15.8861 15.6777 LDB: ============= START OF LOAD BALANCING ============== 3716.52 LDB: ============== END OF LOAD BALANCING =============== 3716.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3716.52 LDB: ============= START OF LOAD BALANCING ============== 3716.83 LDB: Largest compute 7042 load 0.032101 is 16.4% of average load 0.195293 LDB: Average compute 0.004413 is 2.3% of average load 0.195293 LDB: TIME 3716.84 LOAD: AVG 0.195293 MAX 0.216428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.285 MB LDB: TIME 3716.84 LOAD: AVG 0.195293 MAX 0.216428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: TIME 3716.84 LOAD: AVG 0.195293 MAX 0.216428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.285 MB LDB: ============== END OF LOAD BALANCING =============== 3716.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3716.85 PRESSURE: 1172400 53.2385 178.549 -40.5506 178.549 -100.985 140.827 -40.5504 140.827 107.109 GPRESSURE: 1172400 129.598 169.366 12.3467 203.957 -82.799 76.474 45.5319 66.4417 69.6556 PRESSAVG: 1172400 23.9037 0.702035 1.35671 0.701996 21.06 52.4718 1.35666 52.4718 19.0975 GPRESSAVG: 1172400 22.9245 0.310419 0.852718 2.70479 20.9433 52.0965 0.531704 51.6047 19.5492 TIMING: 1172400 CPU: 3704.63, 0.00320909/step Wall: 3704.63, 0.0032091/step, 3.41198 hours remaining, 233.187500 MB of memory in use. ENERGY: 1172400 3963.2621 20483.5003 14479.6161 236.7292 -203074.8324 2578.1922 0.0000 0.0000 51548.9951 -109784.5375 296.2528 -161333.5326 -109424.9726 298.7033 19.7876 38.8182 761816.5138 21.3537 21.1390 PRESSURE: 1172600 -29.5528 9.36096 295.389 9.3597 -216.798 -119.891 295.389 -119.891 -53.5688 GPRESSURE: 1172600 59.3297 -82.0792 315.788 69.4818 -184.609 -69.8792 166.967 -43.2241 -72.8323 PRESSAVG: 1172600 35.4464 3.72132 10.2911 3.72137 19.0904 40.7615 10.2911 40.7615 -11.0392 GPRESSAVG: 1172600 35.7427 4.45899 10.2836 1.22748 19.164 43.2516 6.90683 38.4937 -11.327 TIMING: 1172600 CPU: 3705.25, 0.00313036/step Wall: 3705.25, 0.00313036/step, 3.3281 hours remaining, 233.593750 MB of memory in use. ENERGY: 1172600 3910.4556 20560.7428 14544.9496 241.1432 -203569.9964 2700.1840 0.0000 0.0000 51696.9494 -109915.5718 297.1031 -161612.5212 -109553.7354 298.0625 -99.9734 -66.0372 761148.8493 14.4992 14.5265 PRESSURE: 1172800 67.5436 -5.82333 -57.728 -5.82368 -94.4775 136.692 -57.7281 136.693 -48.1337 GPRESSURE: 1172800 83.8303 -81.1849 -45.8343 -10.555 -31.2882 134.878 -13.7333 62.8562 -36.2796 PRESSAVG: 1172800 7.19739 39.7765 3.06703 39.7765 -32.5041 -35.6864 3.06709 -35.6864 28.2469 GPRESSAVG: 1172800 7.29261 38.8132 2.59711 41.1113 -32.7407 -37.1928 6.86489 -34.4196 28.3399 TIMING: 1172800 CPU: 3705.88, 0.00314396/step Wall: 3705.88, 0.00314396/step, 3.34238 hours remaining, 233.593750 MB of memory in use. ENERGY: 1172800 3918.4976 20341.9981 14511.6567 245.5878 -203366.4022 2619.5007 0.0000 0.0000 51826.3289 -109902.8325 297.8466 -161729.1614 -109538.3639 297.8192 -25.0225 5.4208 761553.0849 0.9801 0.9639 PRESSURE: 1173000 146.678 49.4627 50.1176 49.4624 147.099 -23.0813 50.1182 -23.082 -60.2187 GPRESSURE: 1173000 162.937 49.5802 137.047 48.6174 118.376 -72.8409 78.6844 -20.268 14.3966 PRESSAVG: 1173000 -30.6877 -36.6198 9.69819 -36.6198 -12.8701 13.2313 9.69817 13.2313 13.9615 GPRESSAVG: 1173000 -30.2095 -35.7347 9.40922 -37.2054 -12.9176 13.6262 8.26038 13.6278 13.4053 TIMING: 1173000 CPU: 3706.51, 0.00314108/step Wall: 3706.51, 0.00314108/step, 3.33915 hours remaining, 233.593750 MB of memory in use. ENERGY: 1173000 4017.6711 20527.8889 14489.9592 225.7782 -203664.5857 2695.8807 0.0000 0.0000 51793.0796 -109914.3281 297.6555 -161707.4077 -109552.4136 297.9846 77.8526 98.5698 761780.6319 -9.8655 -9.9073 PRESSURE: 1173200 83.5628 64.2506 -55.0472 64.2506 178.12 -73.7353 -55.0472 -73.7345 -25.4312 GPRESSURE: 1173200 95.4868 171.007 -90.9089 60.7548 249.055 -22.5928 -55.6633 -28.7373 -29.2165 PRESSAVG: 1173200 24.3944 53.6593 -10.9176 53.6593 -7.5673 -3.61556 -10.9176 -3.61547 17.5272 GPRESSAVG: 1173200 24.643 54.2359 -8.10744 52.9213 -7.56576 -4.63358 -11.0825 -3.67544 17.2714 TIMING: 1173200 CPU: 3707.14, 0.00314343/step Wall: 3707.14, 0.00314343/step, 3.34146 hours remaining, 233.593750 MB of memory in use. ENERGY: 1173200 3943.8252 20530.1081 14563.7583 248.5183 -203601.3303 2699.5583 0.0000 0.0000 51813.5412 -109802.0210 297.7731 -161615.5622 -109440.1893 298.1885 78.7504 105.1085 761372.0426 11.4514 11.4495 PRESSURE: 1173400 401.923 18.9766 -9.74976 18.9751 -213.77 6.7248 -9.75 6.72568 100.586 GPRESSURE: 1173400 323.092 -42.0801 -65.2707 -91.9617 -99.2174 -18.878 -60.7948 -34.6159 159.897 PRESSAVG: 1173400 -9.8206 48.7848 37.7731 48.7848 0.570411 38.507 37.7731 38.507 4.51041 GPRESSAVG: 1173400 -10.9132 48.747 34.7541 50.0275 1.23677 38.9756 38.2746 37.4404 5.13885 TIMING: 1173400 CPU: 3707.76, 0.00312253/step Wall: 3707.76, 0.00312253/step, 3.31908 hours remaining, 233.593750 MB of memory in use. ENERGY: 1173400 3980.8046 20384.2122 14603.0079 243.2805 -203824.6716 2976.1585 0.0000 0.0000 51634.0112 -110003.1967 296.7414 -161637.2079 -109643.7600 298.2075 96.2462 127.9236 758874.8142 -1.5799 -1.5125 PRESSURE: 1173600 27.9281 -22.0598 157.146 -22.0589 -388.86 -157.712 157.145 -157.712 -156.462 GPRESSURE: 1173600 36.2511 -18.1466 174.072 66.0395 -369.127 -123.944 188.431 -65.1949 -92.5576 PRESSAVG: 1173600 9.84348 21.9031 12.4008 21.9031 4.57632 -14.5099 12.4008 -14.5098 19.3047 GPRESSAVG: 1173600 10.5133 21.5377 12.639 20.779 4.478 -13.0719 10.6992 -15.7524 18.6735 TIMING: 1173600 CPU: 3708.39, 0.0031493/step Wall: 3708.39, 0.0031493/step, 3.34735 hours remaining, 233.593750 MB of memory in use. ENERGY: 1173600 3904.8247 20405.5090 14591.0128 236.7277 -203310.7644 2510.4182 0.0000 0.0000 51908.5584 -109753.7135 298.3192 -161662.2719 -109385.3648 298.0927 -172.4646 -141.8112 761886.5029 11.2415 11.2216 PRESSURE: 1173800 104.149 -218.915 -129.242 -218.915 -51.0075 27.0431 -129.242 27.0427 154.699 GPRESSURE: 1173800 80.6512 -89.6002 -33.2018 -168.918 -13.5617 -17.762 -182.917 20.2973 235.778 PRESSAVG: 1173800 59.6873 17.7945 18.2385 17.7944 -31.0537 16.0004 18.2385 16.0005 -15.4459 GPRESSAVG: 1173800 60.0968 20.0182 19.7923 17.9372 -31.3854 14.5598 17.6258 16.5713 -15.1749 TIMING: 1173800 CPU: 3709.02, 0.00314858/step Wall: 3709.02, 0.00314858/step, 3.34642 hours remaining, 233.593750 MB of memory in use. ENERGY: 1173800 4059.2409 20524.6119 14538.2101 263.5846 -203397.8747 2815.3660 0.0000 0.0000 51661.6928 -109535.1684 296.9005 -161196.8611 -109176.8598 298.3407 69.2804 100.9557 760928.7055 4.3959 4.5122 PRESSURE: 1174000 99.2086 -19.6377 65.8245 -19.6376 74.414 -132.221 65.8256 -132.222 -112.655 GPRESSURE: 1174000 171.833 66.7486 67.5678 66.8992 75.6182 -83.6989 110.201 -220.519 -80.6296 PRESSAVG: 1174000 -33.5213 34.5304 48.0841 34.5303 0.432209 -12.9625 48.0841 -12.9624 -20.9365 GPRESSAVG: 1174000 -32.9488 31.2652 46.9713 35.2468 0.047604 -12.8868 51.8865 -10.8081 -21.3565 TIMING: 1174000 CPU: 3709.66, 0.00315425/step Wall: 3709.66, 0.00315425/step, 3.35226 hours remaining, 233.593750 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: 1174000 4093.0745 20450.2510 14534.0423 250.0116 -203552.6343 2849.8309 0.0000 0.0000 51961.1150 -109414.3091 298.6212 -161375.4241 -109059.4523 298.7843 20.3227 55.6071 761346.9471 -18.0085 -18.0859 PRESSURE: 1174200 -134.465 125.897 -76.8721 125.896 264.272 -174.378 -76.8722 -174.378 456.242 GPRESSURE: 1174200 -213.813 57.7103 -56.928 95.2878 346.313 -247.289 -61.6271 -99.2807 525.805 PRESSAVG: 1174200 -70.6801 66.3493 56.6936 66.3492 56.1667 -26.5088 56.6935 -26.5087 24.1233 GPRESSAVG: 1174200 -71.8342 67.8078 55.9266 65.6143 56.6333 -26.0159 53.9879 -28.5799 24.5691 TIMING: 1174200 CPU: 3710.28, 0.00314759/step Wall: 3710.28, 0.00314759/step, 3.34501 hours remaining, 233.593750 MB of memory in use. ENERGY: 1174200 4010.1239 20547.1117 14514.2386 253.4314 -203431.5250 2961.4078 0.0000 0.0000 51771.0921 -109374.1195 297.5292 -161145.2116 -109014.9836 298.7813 195.3496 219.4349 762795.4069 3.2033 3.1227 PRESSURE: 1174400 -106.085 184.05 36.7658 184.05 -330.524 48.3679 36.766 48.3676 11.1782 GPRESSURE: 1174400 -104.232 132.842 -36.1395 91.3983 -279.102 52.1482 28.9603 -143.128 34.8566 PRESSAVG: 1174400 -10.0092 16.4717 46.834 16.4718 -5.15777 -25.0842 46.8339 -25.0843 -11.7635 GPRESSAVG: 1174400 -9.74395 16.6991 48.8445 15.8204 -6.09918 -24.8367 45.9025 -25.2712 -11.5915 TIMING: 1174400 CPU: 3710.92, 0.0031573/step Wall: 3710.92, 0.0031573/step, 3.35516 hours remaining, 233.593750 MB of memory in use. ENERGY: 1174400 3970.2779 20489.8370 14506.2580 263.7717 -203104.7313 2508.5266 0.0000 0.0000 51823.6942 -109542.3661 297.8315 -161366.0603 -109178.6400 298.6990 -141.8101 -116.1589 763618.0531 -8.9768 -9.1449 PRESSURE: 1174600 -71.5005 31.2807 -35.4665 31.2808 -278.109 46.1702 -35.467 46.1693 -412.209 GPRESSURE: 1174600 -81.9986 -53.437 136.676 171.688 -159.664 69.1736 -92.0721 8.4404 -436.276 PRESSAVG: 1174600 28.9297 2.09229 23.447 2.09227 -23.3451 -20.5328 23.4469 -20.5328 20.1891 GPRESSAVG: 1174600 29.0237 3.06069 22.2831 3.0322 -21.9392 -21.7371 22.2928 -19.655 18.2693 TIMING: 1174600 CPU: 3711.55, 0.00316755/step Wall: 3711.55, 0.00316755/step, 3.36587 hours remaining, 233.593750 MB of memory in use. ENERGY: 1174600 3992.4856 20399.2034 14531.2915 247.8874 -203167.0587 2399.5732 0.0000 0.0000 51877.4330 -109719.1846 298.1403 -161596.6176 -109356.6287 298.5239 -253.9395 -225.9796 761992.6003 8.5912 8.4513 PRESSURE: 1174800 224.228 4.70169 -34.2032 4.70189 357.36 -72.0656 -34.2033 -72.065 198.175 GPRESSURE: 1174800 284.888 -13.0789 15.2573 -27.2678 309.152 -175.722 -136.163 -77.552 272.12 PRESSAVG: 1174800 54.3059 13.899 1.31363 13.899 -48.5882 39.7324 1.31359 39.7324 1.17231 GPRESSAVG: 1174800 54.2002 12.9548 0.617665 14.2663 -50.0099 38.9965 2.55422 40.2565 3.16124 TIMING: 1174800 CPU: 3712.18, 0.00315787/step Wall: 3712.18, 0.00315787/step, 3.35542 hours remaining, 233.593750 MB of memory in use. ENERGY: 1174800 3957.1556 20403.8662 14519.2361 243.5192 -203646.0700 3026.9242 0.0000 0.0000 51724.6118 -109770.7569 297.2621 -161495.3687 -109423.2040 297.8553 259.9208 288.7199 761888.6813 2.2967 2.4505 PRESSURE: 1175000 -92.7206 136.23 -1.66215 136.231 -73.6437 -62.0486 -1.66246 -62.0486 460.52 GPRESSURE: 1175000 -17.4718 38.5273 16.3335 148.058 -44.4033 -37.9974 76.492 -29.9212 448.842 PRESSAVG: 1175000 60.7659 26.0771 31.2286 26.0771 -31.9414 14.976 31.2286 14.976 -18.2194 GPRESSAVG: 1175000 60.8602 25.745 31.1662 24.9126 -31.3117 16.372 31.7281 14.262 -18.8678 TIMING: 1175000 CPU: 3712.81, 0.00315328/step Wall: 3712.81, 0.00315328/step, 3.35036 hours remaining, 233.593750 MB of memory in use. ENERGY: 1175000 3965.5208 20499.9883 14465.4601 258.4473 -203065.7247 2476.5113 0.0000 0.0000 51681.0850 -109718.7119 297.0119 -161399.7969 -109359.4952 298.2278 98.0518 128.9890 761910.1930 3.5350 3.5602 PRESSURE: 1175200 -53.9641 -39.0183 19.1103 -39.0184 158.008 -60.8206 19.1106 -60.8213 -0.0162855 GPRESSURE: 1175200 -16.7411 18.5752 28.1626 -126.801 163.298 -8.23134 93.4887 -84.6107 51.4053 PRESSAVG: 1175200 -11.922 19.9061 17.8457 19.906 20.6249 8.9511 17.8456 8.95105 11.4995 GPRESSAVG: 1175200 -12.1374 19.4238 19.1677 18.5901 19.5848 9.60092 19.5516 9.07669 12.7936 TIMING: 1175200 CPU: 3713.44, 0.00315999/step Wall: 3713.44, 0.00315999/step, 3.35731 hours remaining, 233.593750 MB of memory in use. ENERGY: 1175200 3916.4131 20416.4432 14455.8223 235.3234 -203222.1323 2744.2643 0.0000 0.0000 51778.6663 -109675.1997 297.5727 -161453.8660 -109318.1560 297.8826 34.6758 65.9874 760840.2242 6.7341 6.7470 PRESSURE: 1175400 193.856 99.4589 -59.6501 99.4587 188.683 135.418 -59.6498 135.418 -107.007 GPRESSURE: 1175400 171.122 113.21 -76.6215 12.3766 274.136 87.969 -154.309 83.7406 -104.585 PRESSAVG: 1175400 0.784545 46.556 22.8232 46.556 -22.9651 -4.99263 22.8232 -4.99269 -13.0518 GPRESSAVG: 1175400 0.588454 46.7548 22.8362 47.2255 -21.7906 -5.56262 20.9831 -5.48182 -14.1656 TIMING: 1175400 CPU: 3714.07, 0.00313673/step Wall: 3714.07, 0.00313673/step, 3.33242 hours remaining, 233.593750 MB of memory in use. ENERGY: 1175400 3936.5898 20485.8588 14512.7707 246.8187 -203361.3128 2948.6410 0.0000 0.0000 51745.9478 -109484.6861 297.3847 -161230.6339 -109130.7136 297.8329 91.8438 113.5577 761628.8536 -11.7441 -11.7893 PRESSURE: 1175600 -202.201 120.575 16.7539 120.575 -118.167 35.8188 16.7536 35.8185 119.17 GPRESSURE: 1175600 -75.6316 180.982 46.8803 136.86 -174.655 46.3771 40.6824 78.8993 137.012 PRESSAVG: 1175600 22.5658 33.43 44.3267 33.4301 15.3557 -20.0697 44.3266 -20.0696 11.4371 GPRESSAVG: 1175600 23.1375 35.0247 42.8969 34.3274 14.7043 -20.0808 45.4532 -18.6985 11.1536 TIMING: 1175600 CPU: 3714.7, 0.00315617/step Wall: 3714.7, 0.00315617/step, 3.3529 hours remaining, 233.593750 MB of memory in use. ENERGY: 1175600 3926.3773 20547.1331 14503.6371 254.7462 -203509.7882 2696.8478 0.0000 0.0000 51996.5328 -109584.5139 298.8248 -161581.0467 -109217.5565 298.5030 -67.0660 -37.7583 762209.6051 16.4529 16.3318 PRESSURE: 1175800 -112.33 41.2453 39.7436 41.2458 -165.639 48.1546 39.7439 48.1546 220.732 GPRESSURE: 1175800 -36.748 -73.5234 -35.4989 9.89693 -112.483 87.1606 45.1997 -9.6519 171.054 PRESSAVG: 1175800 -51.88 -5.84126 15.8393 -5.84119 -12.5476 2.09733 15.8393 2.09729 -1.97045 GPRESSAVG: 1175800 -53.7797 -7.76642 16.5032 -4.96111 -11.9609 3.49181 15.4116 1.72283 -0.786664 TIMING: 1175800 CPU: 3715.33, 0.00315539/step Wall: 3715.33, 0.00315539/step, 3.3519 hours remaining, 233.593750 MB of memory in use. ENERGY: 1175800 3896.2999 20421.1876 14564.9017 238.3611 -203074.7064 2444.3527 0.0000 0.0000 51755.9234 -109753.6798 297.4420 -161509.6033 -109383.5436 298.5403 -19.0790 7.2743 761468.7655 -22.1327 -22.1757 PRESSURE: 1176000 213.68 98.3557 -43.2071 98.3559 24.2675 342.404 -43.2071 342.403 -19.6648 GPRESSURE: 1176000 261.564 75.875 -63.027 124.223 27.3174 367.653 -36.3175 203.196 15.1058 PRESSAVG: 1176000 10.4044 -14.2775 -55.0494 -14.2775 -7.50611 79.8061 -55.0494 79.8062 5.12623 GPRESSAVG: 1176000 10.9641 -15.3123 -55.3421 -15.9794 -7.2573 78.9329 -56.2554 79.1387 4.38507 TIMING: 1176000 CPU: 3715.97, 0.00317053/step Wall: 3715.97, 0.00317053/step, 3.3678 hours remaining, 233.593750 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: 1176000 3934.3679 20365.8034 14455.6957 279.7195 -203560.4045 2911.9343 0.0000 0.0000 52031.6789 -109581.2048 299.0268 -161612.8838 -109215.7329 298.0969 72.7609 101.3289 760840.7651 2.6749 2.6973 PRESSURE: 1176200 -135.978 -167.097 142.573 -167.096 68.3054 -102.031 142.572 -102.031 -229.063 GPRESSURE: 1176200 -128.863 -187.734 63.1221 -210.69 73.3726 -104.659 74.4494 -201.582 -161.683 PRESSAVG: 1176200 10.0313 -52.2996 -4.62076 -52.2996 -24.0844 -5.32733 -4.6208 -5.32727 -10.6347 GPRESSAVG: 1176200 9.06091 -50.9368 -2.78783 -50.5955 -24.1509 -5.70955 -4.45618 -4.67713 -9.56925 TIMING: 1176200 CPU: 3716.6, 0.003154/step Wall: 3716.6, 0.003154/step, 3.35008 hours remaining, 233.593750 MB of memory in use. ENERGY: 1176200 3986.4180 20426.0893 14475.0570 272.0059 -203476.0219 2668.3662 0.0000 0.0000 52285.4233 -109362.6622 300.4850 -161648.0855 -108993.0158 299.0020 -98.9116 -72.3912 761346.1359 -8.2293 -8.2198 LDB: ============= START OF LOAD BALANCING ============== 3729.13 LDB: ============== END OF LOAD BALANCING =============== 3729.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3729.13 LDB: ============= START OF LOAD BALANCING ============== 3729.45 LDB: Largest compute 7042 load 0.031543 is 16.2% of average load 0.195286 LDB: Average compute 0.004381 is 2.2% of average load 0.195286 LDB: TIME 3729.45 LOAD: AVG 0.195286 MAX 0.21565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.207 MB LDB: TIME 3729.45 LOAD: AVG 0.195286 MAX 0.21565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 3729.45 LOAD: AVG 0.195286 MAX 0.21565 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 3729.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3729.46 PRESSURE: 1176400 -129.007 -69.7648 -10.0614 -69.7655 -104.5 -18.7632 -10.0616 -18.7626 -112.758 GPRESSURE: 1176400 19.4286 -81.8074 34.4084 28.0265 -122.969 83.1969 86.4391 83.3988 -133.744 PRESSAVG: 1176400 16.8397 9.34376 -2.48749 9.34372 7.75605 -18.9928 -2.48753 -18.9928 19.1254 GPRESSAVG: 1176400 18.0615 9.78519 -4.95027 7.40741 6.13318 -19.9277 -0.341735 -17.5273 18.6888 TIMING: 1176400 CPU: 3717.24, 0.00321315/step Wall: 3717.24, 0.00321315/step, 3.41272 hours remaining, 233.503906 MB of memory in use. ENERGY: 1176400 3994.5477 20380.5134 14430.1423 241.1744 -203430.4244 2599.1591 0.0000 0.0000 52099.3100 -109685.5774 299.4155 -161784.8874 -109320.0427 298.8414 -115.4214 -79.0949 761642.2565 14.5737 14.2945 PRESSURE: 1176600 -53.2174 57.6862 26.0419 57.686 -275.262 -104.491 26.0418 -104.491 279.964 GPRESSURE: 1176600 5.3207 -6.70086 36.573 39.0463 -244.292 -115.326 105.79 -42.7041 295.362 PRESSAVG: 1176600 32.1301 23.3091 -30.0436 23.3091 -19.0973 19.3573 -30.0436 19.3573 8.99623 GPRESSAVG: 1176600 32.3229 21.678 -28.7517 23.2711 -19.2771 19.4041 -31.5549 18.4936 8.67197 TIMING: 1176600 CPU: 3717.87, 0.00316223/step Wall: 3717.87, 0.00316223/step, 3.35847 hours remaining, 234.035156 MB of memory in use. ENERGY: 1176600 4060.0990 20424.3438 14491.6447 231.8720 -203395.4859 2684.1896 0.0000 0.0000 51886.3553 -109616.9814 298.1916 -161503.3368 -109267.2142 298.2278 -16.1719 18.7967 762673.2610 7.3430 7.2393 PRESSURE: 1176800 59.3014 -69.7782 -87.7098 -69.7777 70.0089 -118.321 -87.7094 -118.321 -369.375 GPRESSURE: 1176800 49.6087 -97.2846 -119.961 13.3849 58.8386 -176.987 -0.286196 3.28838 -258.576 PRESSAVG: 1176800 -34.1463 -7.97417 17.3476 -7.97408 -47.3534 -34.3656 17.3476 -34.3656 29.5632 GPRESSAVG: 1176800 -34.2631 -6.87809 17.2229 -7.01093 -46.2898 -32.9031 15.6339 -34.6766 28.8579 TIMING: 1176800 CPU: 3718.5, 0.00315669/step Wall: 3718.5, 0.00315669/step, 3.35241 hours remaining, 234.035156 MB of memory in use. ENERGY: 1176800 3881.9534 20365.8548 14487.1503 248.4291 -203224.2713 2696.8958 0.0000 0.0000 52116.9425 -109427.0455 299.5168 -161543.9880 -109057.0436 298.2906 -80.0216 -50.0430 761859.1093 -17.3122 -17.2317 PRESSURE: 1177000 -18.9949 -39.7221 -175.542 -39.7232 -9.18151 -153.125 -175.542 -153.125 -368.604 GPRESSURE: 1177000 -45.7028 132.173 -177.186 28.4041 -10.4984 -109.126 -147.338 -108.695 -269.939 PRESSAVG: 1177000 56.4469 16.7473 -42.5207 16.7473 -51.3528 -4.01014 -42.5206 -4.0101 -11.1596 GPRESSAVG: 1177000 55.1347 18.3347 -44.4798 15.8974 -50.5574 -4.35757 -39.2302 -5.01823 -9.65358 TIMING: 1177000 CPU: 3719.14, 0.00315468/step Wall: 3719.14, 0.00315468/step, 3.3501 hours remaining, 234.035156 MB of memory in use. ENERGY: 1177000 3960.6715 20638.3199 14424.9892 236.7762 -202994.4273 2523.7167 0.0000 0.0000 51750.5875 -109459.3663 297.4113 -161209.9538 -109113.2942 298.7078 -132.2601 -108.7135 763684.9084 -2.0219 -1.6921 PRESSURE: 1177200 -99.3462 -57.8678 -151.42 -57.868 -442.006 -22.6337 -151.42 -22.6336 -168.543 GPRESSURE: 1177200 -88.2917 -86.3451 -162.213 27.9068 -379.023 -50.7682 -106.414 53.4871 -160.92 PRESSAVG: 1177200 1.91816 -4.4298 -79.5258 -4.42985 1.87872 -24.2365 -79.5258 -24.2365 29.74 GPRESSAVG: 1177200 2.65082 -5.44301 -79.6471 -3.99496 1.5076 -24.7464 -78.6274 -24.1046 28.6631 TIMING: 1177200 CPU: 3719.77, 0.00315662/step Wall: 3719.77, 0.00315662/step, 3.35198 hours remaining, 234.035156 MB of memory in use. ENERGY: 1177200 3903.8105 20548.5348 14493.8338 237.2197 -202956.1117 2384.0104 0.0000 0.0000 52068.4551 -109320.2473 299.2381 -161388.7025 -108951.5446 299.0794 -236.6319 -209.4114 762782.4155 11.1790 10.9405 PRESSURE: 1177400 -145.839 238.571 -68.8979 238.571 -222.196 -41.6683 -68.8977 -41.6675 -509.642 GPRESSURE: 1177400 -103.386 113.393 -126.874 256.878 -222.521 -92.0935 -47.7291 -70.9819 -458.777 PRESSAVG: 1177400 21.8043 24.9589 -15.7376 24.9589 -50.9644 6.73766 -15.7377 6.73764 5.8755 GPRESSAVG: 1177400 21.7509 23.797 -15.7884 24.7752 -51.7862 6.41979 -16.1596 6.20299 6.83629 TIMING: 1177400 CPU: 3720.4, 0.00314314/step Wall: 3720.4, 0.00314314/step, 3.33749 hours remaining, 234.035156 MB of memory in use. ENERGY: 1177400 3926.1240 20479.7928 14553.6330 259.3588 -202899.3653 2278.2560 0.0000 0.0000 52049.2936 -109352.9072 299.1280 -161402.2007 -108986.3424 298.6559 -292.5592 -261.5614 761730.6230 -7.7615 -7.7330 PRESSURE: 1177600 -344.407 12.0672 -65.2239 12.0671 -231.835 -113.576 -65.2239 -113.576 -501.649 GPRESSURE: 1177600 -290.625 83.0487 -126.215 135.069 -220.206 -162.489 -85.6228 -33.3189 -470.327 PRESSAVG: 1177600 -9.56667 24.7658 -57.1558 24.7658 19.6833 -22.0833 -57.1558 -22.0834 2.92991 GPRESSAVG: 1177600 -10.0055 23.7462 -54.8463 24.8987 20.8765 -22.9575 -57.9425 -21.4591 2.50682 TIMING: 1177600 CPU: 3721.03, 0.00315622/step Wall: 3721.03, 0.00315622/step, 3.35121 hours remaining, 234.035156 MB of memory in use. ENERGY: 1177600 4016.4491 20452.2083 14473.1874 226.7120 -203324.4373 2599.7881 0.0000 0.0000 52178.2267 -109377.8657 299.8690 -161556.0924 -109017.4571 298.6806 -359.2968 -327.0528 763298.6367 4.3488 4.4593 PRESSURE: 1177800 137.943 -11.1278 26.4287 -11.1281 -162.422 -49.6124 26.4285 -49.6121 103.11 GPRESSURE: 1177800 126.139 59.1293 3.66647 -80.9862 -41.6913 -49.4124 1.0327 15.1285 85.3883 PRESSAVG: 1177800 70.3465 -19.462 -92.4633 -19.462 -56.3197 -16.9374 -92.4632 -16.9375 -9.18504 GPRESSAVG: 1177800 70.4467 -13.5082 -92.2582 -20.0729 -57.3497 -15.5493 -92.4898 -18.0868 -8.40382 TIMING: 1177800 CPU: 3721.66, 0.00316833/step Wall: 3721.66, 0.00316833/step, 3.36388 hours remaining, 234.035156 MB of memory in use. ENERGY: 1177800 3966.7596 20368.5971 14481.3214 240.8810 -203162.6151 2666.7998 0.0000 0.0000 52248.9610 -109189.2952 300.2755 -161438.2562 -108823.3139 299.0946 26.2103 56.6119 761680.6686 1.6139 1.5644 PRESSURE: 1178000 106.891 93.2611 -141.201 93.2612 -250.709 134.966 -141.2 134.967 -121.358 GPRESSURE: 1178000 97.921 52.9146 -191.393 104.563 -230.061 112.702 -170.732 134.78 -51.413 PRESSAVG: 1178000 44.305 -16.3257 -66.4385 -16.3257 -45.3256 -4.80866 -66.4385 -4.80864 -2.65614 GPRESSAVG: 1178000 44.8602 -20.2992 -68.2945 -14.7634 -45.7519 -5.48198 -69.2809 -4.6119 -2.82118 TIMING: 1178000 CPU: 3722.29, 0.0031696/step Wall: 3722.29, 0.0031696/step, 3.36506 hours remaining, 234.035156 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: 1178000 3919.7789 20524.0737 14493.7563 250.1507 -202796.8733 2360.9671 0.0000 0.0000 52046.8869 -109201.2597 299.1142 -161248.1466 -108835.3058 299.1320 -88.3919 -61.1843 760403.3523 -1.2256 -1.2376 PRESSURE: 1178200 -437.06 -17.5298 -100.108 -17.5305 -323.436 118.733 -100.108 118.734 362.401 GPRESSURE: 1178200 -411.99 29.4417 -121.078 5.62156 -225.853 130.265 13.9962 83.7255 321.191 PRESSAVG: 1178200 -63.2555 -16.6639 -3.15881 -16.6639 -5.33638 -8.59983 -3.15882 -8.59987 -23.2335 GPRESSAVG: 1178200 -64.2187 -16.1815 -2.1477 -17.084 -3.83046 -8.2042 0.788843 -6.77518 -23.0988 TIMING: 1178200 CPU: 3722.93, 0.00315404/step Wall: 3722.93, 0.00315404/step, 3.34837 hours remaining, 234.035156 MB of memory in use. ENERGY: 1178200 4042.7688 20563.9538 14460.5134 241.7976 -203221.6815 2638.4076 0.0000 0.0000 52188.6732 -109085.5671 299.9290 -161274.2402 -108717.8025 299.4636 -132.6984 -105.5507 762646.9870 -30.6085 -30.3826 PRESSURE: 1178400 171.429 -10.9057 -35.9204 -10.906 397.077 -157.111 -35.9201 -157.112 184.493 GPRESSURE: 1178400 215.461 -49.5197 52.6167 -19.7528 441.823 -189.24 -69.2844 -261.155 178.978 PRESSAVG: 1178400 14.1619 30.4753 11.8012 30.4753 42.6445 -22.3404 11.8011 -22.3403 -34.5355 GPRESSAVG: 1178400 13.9114 29.9314 12.0244 29.074 42.4142 -23.6556 10.0407 -22.463 -34.5424 TIMING: 1178400 CPU: 3723.56, 0.00315141/step Wall: 3723.56, 0.00315141/step, 3.3454 hours remaining, 234.035156 MB of memory in use. ENERGY: 1178400 3973.6524 20688.8948 14531.2877 252.5973 -203379.3605 2735.9884 0.0000 0.0000 52036.8283 -109160.1117 299.0564 -161196.9400 -108795.6585 299.4056 250.9996 278.7540 760870.0995 7.4236 7.2611 PRESSURE: 1178600 21.0915 12.4908 372.467 12.491 -275.689 -371.977 372.467 -371.977 29.9584 GPRESSURE: 1178600 70.0807 2.00349 374.584 142.48 -249.272 -326.237 171.213 -392.912 19.3109 PRESSAVG: 1178600 12.5173 30.3175 46.0396 30.3175 -36.295 -9.08596 46.0395 -9.08597 4.65159 GPRESSAVG: 1178600 13.3409 30.2035 45.6923 31.9433 -37.7345 -8.9861 44.4266 -9.31424 4.97633 TIMING: 1178600 CPU: 3724.18, 0.00312998/step Wall: 3724.18, 0.00312998/step, 3.32247 hours remaining, 234.035156 MB of memory in use. ENERGY: 1178600 4022.3002 20570.6351 14507.7562 236.9521 -203752.7929 2837.0103 0.0000 0.0000 52336.4625 -109241.6765 300.7784 -161578.1390 -108878.3687 299.3057 -74.8795 -53.2934 761328.3435 -6.3754 -6.4724 PRESSURE: 1178800 62.6218 8.81396 -191.03 8.81439 -196.661 170.725 -191.029 170.726 -98.9092 GPRESSURE: 1178800 74.8804 -0.613889 -191.544 -51.4996 -175.519 207.497 -206.556 103.789 -67.2993 PRESSAVG: 1178800 13.162 -46.7578 35.6136 -46.7578 -40.9925 -41.7915 35.6136 -41.7914 -2.51651 GPRESSAVG: 1178800 12.9768 -46.2701 36.7741 -47.3647 -41.1127 -42.305 36.9258 -41.9022 -2.33508 TIMING: 1178800 CPU: 3724.81, 0.00314877/step Wall: 3724.81, 0.00314877/step, 3.34225 hours remaining, 234.035156 MB of memory in use. ENERGY: 1178800 3958.4811 20486.1650 14457.7432 245.1693 -203230.4941 2728.8576 0.0000 0.0000 52133.7312 -109220.3468 299.6133 -161354.0779 -108859.7499 299.3299 -77.6495 -55.9792 762077.0131 -10.1157 -10.1570 PRESSURE: 1179000 -219.396 -159.879 -14.0606 -159.878 -275.352 25.6128 -14.061 25.6123 -162.848 GPRESSURE: 1179000 -203.443 -95.2602 17.0902 -194.739 -187.816 -5.7981 118.408 160.053 -163.98 PRESSAVG: 1179000 29.0294 -14.4634 -14.9931 -14.4635 -66.3526 35.5208 -14.9931 35.5207 -2.69892 GPRESSAVG: 1179000 28.401 -13.5558 -16.302 -14.2925 -64.9928 36.5094 -15.4672 36.0065 -2.86181 TIMING: 1179000 CPU: 3725.44, 0.00314806/step Wall: 3725.44, 0.00314806/step, 3.34132 hours remaining, 234.035156 MB of memory in use. ENERGY: 1179000 3962.2908 20512.4862 14549.0199 247.1291 -202968.5606 2561.9327 0.0000 0.0000 51940.3363 -109195.3657 298.5018 -161135.7020 -108844.5626 299.1268 -219.1987 -185.0797 762239.7637 -13.3407 -13.1512 PRESSURE: 1179200 39.0065 103.325 -52.4953 103.325 -125.551 -0.770528 -52.4953 -0.770451 -543.867 GPRESSURE: 1179200 24.4171 70.627 -142.055 88.0243 -152.697 36.9228 -136.052 -11.1939 -413.811 PRESSAVG: 1179200 34.7079 -38.2407 -3.13827 -38.2407 8.27969 45.7096 -3.13825 45.7096 16.6362 GPRESSAVG: 1179200 34.9701 -38.6564 -2.63429 -38.2474 8.20109 46.2662 -2.76789 46.7412 16.496 TIMING: 1179200 CPU: 3726.07, 0.00313992/step Wall: 3726.07, 0.00313992/step, 3.3325 hours remaining, 234.035156 MB of memory in use. ENERGY: 1179200 3897.1291 20543.2020 14544.9233 240.7879 -202827.8857 2287.8013 0.0000 0.0000 51986.2228 -109327.8194 298.7655 -161314.0421 -108957.0768 299.1368 -210.1373 -180.6968 762630.2959 19.8746 19.8891 PRESSURE: 1179400 -107.796 43.4068 61.3037 43.4064 -4.81776 190.834 61.3036 190.834 -10.0995 GPRESSURE: 1179400 -150.03 95.9984 98.2733 121.866 106.767 144.768 32.8759 61.4238 3.76588 PRESSAVG: 1179400 24.033 5.20604 31.0549 5.20609 -16.7947 -8.19481 31.0549 -8.19485 -9.40498 GPRESSAVG: 1179400 23.837 4.73079 30.8348 5.17294 -16.0634 -7.96937 29.5869 -11.0029 -9.87409 TIMING: 1179400 CPU: 3726.7, 0.00315824/step Wall: 3726.7, 0.00315824/step, 3.35177 hours remaining, 234.035156 MB of memory in use. ENERGY: 1179400 3917.1021 20469.2814 14461.9061 257.1321 -202713.5125 2417.8768 0.0000 0.0000 51877.4448 -109312.7692 298.1404 -161190.2140 -108951.4658 299.0584 -40.9043 -13.1657 762165.1027 -0.7222 -0.7002 PRESSURE: 1179600 498.421 133.671 -176.046 133.672 290.541 -119.675 -176.046 -119.676 388.768 GPRESSURE: 1179600 534.4 199.554 -187.919 226.038 266.642 -119.804 -72.7088 -106.021 432.149 PRESSAVG: 1179600 -46.774 17.4519 -22.8545 17.4519 35.4538 58.8259 -22.8545 58.8259 13.7054 GPRESSAVG: 1179600 -46.0314 18.1161 -22.3774 17.0246 34.0699 59.1391 -21.6316 61.3764 13.8872 TIMING: 1179600 CPU: 3727.33, 0.0031533/step Wall: 3727.33, 0.0031533/step, 3.34635 hours remaining, 234.035156 MB of memory in use. ENERGY: 1179600 3951.7273 20619.9604 14528.6955 267.3990 -203570.0422 2736.0745 0.0000 0.0000 52086.9047 -109379.2808 299.3442 -161466.1856 -109020.9189 298.5909 392.5767 411.0638 759767.3438 0.7951 0.6419 PRESSURE: 1179800 -89.248 -64.0436 -3.98071 -64.0438 81.6765 145.835 -3.98092 145.836 -285.678 GPRESSURE: 1179800 -106.379 45.657 109.817 -31.0935 142.652 172.442 40.4016 97.4976 -254.637 PRESSAVG: 1179800 -82.8984 34.6531 7.27659 34.6531 33.2039 30.3774 7.27653 30.3775 19.0772 GPRESSAVG: 1179800 -82.9562 34.6884 6.98005 35.0911 33.4942 29.8169 6.62011 28.8814 18.4325 TIMING: 1179800 CPU: 3727.97, 0.00316971/step Wall: 3727.97, 0.00316971/step, 3.3636 hours remaining, 234.035156 MB of memory in use. ENERGY: 1179800 3973.5559 20595.9271 14513.7578 248.7835 -202920.7210 2251.3018 0.0000 0.0000 51876.6000 -109460.7950 298.1355 -161337.3950 -109095.6789 298.6038 -97.7500 -72.7883 761375.9349 -10.2057 -10.3432 PRESSURE: 1180000 247.346 151.929 110.584 151.928 73.0411 -24.6614 110.584 -24.661 -228.45 GPRESSURE: 1180000 210.18 58.9605 57.0075 42.9095 58.4539 -55.1281 84.9297 -6.03719 -99.2462 PRESSAVG: 1180000 43.8806 -73.2471 9.40699 -73.2471 -53.7832 -1.02746 9.40696 -1.02752 -0.11023 GPRESSAVG: 1180000 44.2365 -73.7593 8.43425 -73.2108 -55.1786 -0.5963 10.6068 -0.50216 0.286162 TIMING: 1180000 CPU: 3728.6, 0.00316637/step Wall: 3728.6, 0.00316637/step, 3.35987 hours remaining, 234.035156 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: 1180000 4058.9567 20525.8685 14482.7925 221.4524 -203792.8364 2741.6571 0.0000 0.0000 52395.9732 -109366.1360 301.1204 -161762.1092 -109002.5258 298.6375 30.6456 56.4626 760185.0338 -3.3376 -3.5520 PRESSURE: 1180200 -5.571 265.698 286.22 265.698 -243.667 -61.4005 286.22 -61.4015 23.8818 GPRESSURE: 1180200 65.7733 107.202 236.517 158.347 -210.018 -84.6427 229.663 -49.2442 22.282 PRESSAVG: 1180200 45.8558 -0.367308 43.869 -0.367362 -18.0859 68.2519 43.869 68.2519 10.7381 GPRESSAVG: 1180200 45.4463 -0.218352 44.8347 -2.23006 -17.0074 67.2573 43.2463 68.6262 10.4995 TIMING: 1180200 CPU: 3729.24, 0.00319314/step Wall: 3729.24, 0.00319314/step, 3.3881 hours remaining, 234.035156 MB of memory in use. ENERGY: 1180200 4065.6483 20459.6499 14457.7687 262.4441 -203498.6994 2761.3435 0.0000 0.0000 51841.7262 -109650.1187 297.9351 -161491.8449 -109298.5502 298.6562 -75.1187 -40.6542 761352.8651 12.8360 12.9795 LDB: ============= START OF LOAD BALANCING ============== 3741.77 LDB: ============== END OF LOAD BALANCING =============== 3741.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3741.77 LDB: ============= START OF LOAD BALANCING ============== 3742.09 LDB: Largest compute 7042 load 0.033112 is 16.9% of average load 0.195427 LDB: Average compute 0.004374 is 2.2% of average load 0.195427 LDB: TIME 3742.1 LOAD: AVG 0.195427 MAX 0.215628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.648 MB LDB: TIME 3742.1 LOAD: AVG 0.195427 MAX 0.215628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.852 MB LDB: TIME 3742.1 LOAD: AVG 0.195427 MAX 0.215628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.852 MB LDB: ============== END OF LOAD BALANCING =============== 3742.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3742.1 PRESSURE: 1180400 -419.044 0.711449 -89.4831 0.711175 -105.693 -80.9867 -89.4833 -80.9863 -49.4878 GPRESSURE: 1180400 -345.16 -91.1861 -193.381 52.7333 -178.776 -21.6348 -97.4536 -86.8071 34.3878 PRESSAVG: 1180400 -56.9248 6.06566 0.386038 6.06568 33.9232 5.14902 0.386041 5.14902 20.6108 GPRESSAVG: 1180400 -57.9041 6.28095 -2.242 7.17047 33.7268 5.14755 -0.319783 4.98982 21.8606 TIMING: 1180400 CPU: 3729.89, 0.0032467/step Wall: 3729.89, 0.0032467/step, 3.44474 hours remaining, 232.878906 MB of memory in use. ENERGY: 1180400 3991.3919 20691.3146 14467.5958 237.7850 -203403.3497 2717.6021 0.0000 0.0000 51775.3498 -109522.3104 297.5536 -161297.6602 -109159.3256 298.1306 -191.4083 -163.1829 763738.9096 -0.7969 -0.7722 PRESSURE: 1180600 269.129 53.4648 -105.284 53.4649 -280.467 -252.333 -105.283 -252.332 417.425 GPRESSURE: 1180600 265.578 10.8538 -94.8193 123.747 -218.375 -253.381 -132.769 -263.952 434.77 PRESSAVG: 1180600 -20.3918 10.8289 41.0787 10.829 25.2903 -13.0988 41.0787 -13.099 -22.2156 GPRESSAVG: 1180600 -20.5189 8.906 43.0988 11.0395 25.7901 -13.8522 42.2544 -14.1428 -22.628 TIMING: 1180600 CPU: 3730.52, 0.00318087/step Wall: 3730.52, 0.00318087/step, 3.37473 hours remaining, 232.878906 MB of memory in use. ENERGY: 1180600 3954.0256 20608.0710 14548.8173 241.7771 -203686.6095 2795.5385 0.0000 0.0000 52053.8961 -109484.4841 299.1545 -161538.3802 -109123.9363 298.5470 135.3624 160.6578 760896.1847 -5.7724 -5.7856 PRESSURE: 1180800 38.2936 59.3176 56.3331 59.3168 -99.5017 115.869 56.3334 115.867 -28.2015 GPRESSURE: 1180800 -24.2454 166.918 15.0663 80.3633 18.0153 95.8301 154.941 99.1034 11.1745 PRESSAVG: 1180800 -23.4982 0.480144 27.2338 0.480252 49.5353 -30.3711 27.2338 -30.3711 14.7193 GPRESSAVG: 1180800 -22.7546 0.888901 27.0598 2.52403 48.4951 -30.3115 26.2743 -28.8618 15.1505 TIMING: 1180800 CPU: 3731.16, 0.00317877/step Wall: 3731.16, 0.00317877/step, 3.37232 hours remaining, 232.878906 MB of memory in use. ENERGY: 1180800 3985.3135 20425.6452 14514.8745 220.0340 -203092.7133 2737.7023 0.0000 0.0000 51820.5879 -109388.5559 297.8136 -161209.1438 -109021.2830 298.1847 -29.8032 1.6481 762311.6843 13.5854 13.6303 PRESSURE: 1181000 -86.2691 121.584 -161.903 121.585 -50.538 189.626 -161.903 189.625 -273.663 GPRESSURE: 1181000 -36.12 162.539 -113.799 103.997 35.094 295.653 29.2234 31.5567 -322.563 PRESSAVG: 1181000 -75.8366 14.595 49.2433 14.595 75.6877 7.70308 49.2432 7.70308 23.8356 GPRESSAVG: 1181000 -75.4506 14.7744 50.9282 12.5686 76.5332 9.09782 50.1919 7.07114 23.3075 TIMING: 1181000 CPU: 3731.79, 0.00316126/step Wall: 3731.79, 0.00316126/step, 3.35356 hours remaining, 232.878906 MB of memory in use. ENERGY: 1181000 4028.4551 20503.6895 14504.2202 247.6410 -203120.4255 2575.1179 0.0000 0.0000 52054.6764 -109206.6254 299.1589 -161261.3018 -108847.6241 298.9769 -136.8234 -107.8631 762682.8023 7.8956 8.1300 PRESSURE: 1181200 74.0386 -12.6987 -44.6 -12.6989 -167.455 -69.0902 -44.5996 -69.0897 -285.54 GPRESSURE: 1181200 23.0388 38.692 -29.0337 -40.5684 -133.305 -72.438 24.0135 -85.3454 -180.605 PRESSAVG: 1181200 27.0097 47.1302 34.1879 47.1303 0.780546 -38.4833 34.1879 -38.4834 4.66709 GPRESSAVG: 1181200 27.312 46.6849 34.6551 47.566 1.6921 -38.9778 32.6331 -38.0732 3.46219 TIMING: 1181200 CPU: 3732.42, 0.00315609/step Wall: 3732.42, 0.00315609/step, 3.34791 hours remaining, 232.878906 MB of memory in use. ENERGY: 1181200 4013.1218 20587.7271 14460.4482 229.0948 -203142.5468 2686.4771 0.0000 0.0000 51873.6171 -109292.0607 298.1184 -161165.6778 -108932.7530 298.7124 -126.3188 -96.9571 763797.7459 10.8191 10.8221 PRESSURE: 1181400 86.1256 -13.5779 60.0503 -13.5781 -32.4759 -220.782 60.0493 -220.781 67.0061 GPRESSURE: 1181400 22.7476 130.835 104.75 -47.921 40.7762 -230.11 174.319 -69.069 144.777 PRESSAVG: 1181400 -63.2684 10.6623 0.559487 10.6623 27.143 -50.0169 0.559519 -50.0169 18.5978 GPRESSAVG: 1181400 -62.908 10.1599 -0.762123 9.30116 25.1563 -48.3335 1.06888 -50.0901 20.3165 TIMING: 1181400 CPU: 3733.05, 0.00316192/step Wall: 3733.05, 0.00316192/step, 3.35392 hours remaining, 232.878906 MB of memory in use. ENERGY: 1181400 3946.8018 20569.8110 14491.4844 240.8079 -203023.8670 2512.2656 0.0000 0.0000 52075.9010 -109186.7953 299.2809 -161262.6963 -108832.5268 299.1593 40.2186 69.4336 764009.4725 -5.8426 -5.8117 PRESSURE: 1181600 -93.549 -30.3917 191.333 -30.3916 -238.962 -107.723 191.331 -107.722 -115.645 GPRESSURE: 1181600 -88.8278 43.4555 194.489 -61.881 -180.048 -43.1284 193.455 -78.3534 -80.9437 PRESSAVG: 1181600 23.4796 25.109 22.3606 25.1091 -39.6021 -17.0135 22.3606 -17.0135 -0.416437 GPRESSAVG: 1181600 22.0726 26.0864 21.779 25.1825 -38.6629 -17.7143 20.7421 -18.2723 -0.242677 TIMING: 1181600 CPU: 3733.69, 0.00315607/step Wall: 3733.69, 0.00315607/step, 3.34753 hours remaining, 232.878906 MB of memory in use. ENERGY: 1181600 3904.2783 20557.5455 14535.2297 249.4757 -203307.9051 2785.9642 0.0000 0.0000 52058.1273 -109217.2845 299.1788 -161275.4118 -108862.1430 299.0847 -149.3854 -116.6066 764020.3996 -5.5130 -5.6110 PRESSURE: 1181800 21.7559 149.673 -107.146 149.673 360.517 48.9236 -107.145 48.9243 -259.2 GPRESSURE: 1181800 62.3147 277.373 -158.083 136.356 388.643 83.1718 -267.429 -11.2085 -238.837 PRESSAVG: 1181800 -25.4198 75.4623 6.55545 75.4623 -10.7471 -23.5988 6.55545 -23.5988 -24.162 GPRESSAVG: 1181800 -23.3747 75.9504 8.15411 75.7499 -11.3267 -25.537 6.99277 -22.0896 -26.2454 TIMING: 1181800 CPU: 3734.32, 0.00314831/step Wall: 3734.32, 0.00314831/step, 3.33914 hours remaining, 233.082031 MB of memory in use. ENERGY: 1181800 4023.2133 20454.8629 14461.3696 249.9556 -203266.2809 2727.0777 0.0000 0.0000 52053.2838 -109296.5180 299.1509 -161349.8018 -108931.3862 298.4639 41.0243 70.7072 762746.7731 -20.1096 -20.3156 PRESSURE: 1182000 -268.959 -101.16 117.533 -101.16 -334.945 220.306 117.533 220.306 -237.875 GPRESSURE: 1182000 -214.767 -62.7348 101.936 -136.987 -243.303 218.56 138.619 99.3009 -289.09 PRESSAVG: 1182000 -12.9616 15.9353 4.71372 15.9353 8.42383 14.9105 4.71376 14.9105 2.26789 GPRESSAVG: 1182000 -13.8181 14.9627 3.57338 15.1075 9.0627 16.9143 5.6896 13.2703 2.44161 TIMING: 1182000 CPU: 3734.95, 0.00315733/step Wall: 3734.95, 0.00315733/step, 3.34853 hours remaining, 233.082031 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: 1182000 3913.9254 20485.7033 14575.9381 235.9522 -203412.7695 2750.6628 0.0000 0.0000 51944.1231 -109506.4645 298.5236 -161450.5876 -109145.8339 298.4296 -280.5929 -249.0537 763509.9356 -0.7566 -0.7713 PRESSURE: 1182200 -62.6691 39.3264 218.838 39.3266 183.387 -167.857 218.838 -167.857 -48.0021 GPRESSURE: 1182200 44.6867 -16.8444 257.304 70.4167 276.721 -85.6205 191.264 11.0021 -157.757 PRESSAVG: 1182200 -1.08556 10.2755 -6.69707 10.2755 -4.20904 8.77127 -6.69709 8.7712 17.5008 GPRESSAVG: 1182200 -1.75591 11.0983 -6.93349 9.68296 -3.13476 8.24314 -5.57245 8.53178 17.4125 TIMING: 1182200 CPU: 3735.58, 0.00315765/step Wall: 3735.58, 0.00315765/step, 3.34869 hours remaining, 233.082031 MB of memory in use. ENERGY: 1182200 4029.9057 20473.3194 14480.0549 251.4655 -203569.3545 2898.7554 0.0000 0.0000 51777.3064 -109658.5473 297.5649 -161435.8536 -109300.5380 297.7179 24.2385 54.5504 763566.4683 4.0687 4.1740 PRESSURE: 1182400 -287.246 -15.6325 -67.2129 -15.6324 -305.486 -108.662 -67.2134 -108.662 125.05 GPRESSURE: 1182400 -190.1 160.679 -171.585 -54.721 -319.448 64.0666 73.8242 -74.4296 127.454 PRESSAVG: 1182400 29.8537 3.40332 -0.184575 3.40328 -1.9529 -43.2284 -0.18456 -43.2285 28.4071 GPRESSAVG: 1182400 29.6762 2.07709 -2.72338 4.46046 -3.08675 -43.3981 -1.41511 -41.614 29.5656 TIMING: 1182400 CPU: 3736.21, 0.00313752/step Wall: 3736.21, 0.00313752/step, 3.32716 hours remaining, 233.082031 MB of memory in use. ENERGY: 1182400 3957.8923 20331.3906 14479.0011 253.1264 -203409.9156 2548.6679 0.0000 0.0000 52001.3708 -109838.4664 298.8526 -161839.8372 -109475.4790 298.0521 -155.8942 -127.3649 763317.3375 18.7693 18.7184 PRESSURE: 1182600 112.917 -222.812 37.2955 -222.813 -102.291 -9.1751 37.2957 -9.17561 -93.9317 GPRESSURE: 1182600 140.528 -262.432 20.8275 -218.674 -112.194 -8.01802 93.6126 -65.9677 -29.159 PRESSAVG: 1182600 5.65546 63.4643 27.367 63.4643 -33.5803 15.0712 27.3669 15.0712 -16.6359 GPRESSAVG: 1182600 6.52055 64.6847 27.0541 63.4064 -33.9771 13.7234 29.6443 13.618 -17.4199 TIMING: 1182600 CPU: 3736.84, 0.00315034/step Wall: 3736.84, 0.00315034/step, 3.34059 hours remaining, 233.082031 MB of memory in use. ENERGY: 1182600 3961.6070 20324.7852 14538.9122 246.2706 -203979.4198 2995.9865 0.0000 0.0000 51806.2948 -110105.5634 297.7315 -161911.8582 -109748.0409 297.5476 -27.7686 -0.2752 761229.9449 -14.8536 -14.9588 PRESSURE: 1182800 101.103 71.3902 226.766 71.3907 -188.153 -156.094 226.766 -156.094 192.772 GPRESSURE: 1182800 135.712 138.593 143.146 33.3995 -91.8777 7.41126 115.41 -107.876 168.71 PRESSAVG: 1182800 -11.3453 33.9813 26.036 33.9814 -3.93839 -14.0702 26.036 -14.0703 -11.2382 GPRESSAVG: 1182800 -10.5485 33.2199 28.3074 33.0498 -4.61879 -11.9185 22.8042 -14.6054 -11.779 TIMING: 1182800 CPU: 3737.47, 0.00314831/step Wall: 3737.47, 0.00314831/step, 3.33826 hours remaining, 233.082031 MB of memory in use. ENERGY: 1182800 3906.6111 20397.1099 14616.3634 247.1326 -203749.4552 2877.4222 0.0000 0.0000 51961.0733 -109743.7428 298.6210 -161704.8161 -109370.3489 297.3427 35.2409 70.8481 761587.7784 -8.8406 -8.9821 PRESSURE: 1183000 -416.86 140.021 2.62148 140.021 157.899 56.4005 2.62226 56.3999 414.325 GPRESSURE: 1183000 -362.141 170.904 27.8724 188.843 153.806 45.9234 -16.2217 76.3168 439.087 PRESSAVG: 1183000 -52.9467 117.626 -0.28687 117.626 21.3046 -5.03256 -0.28681 -5.0326 -4.88121 GPRESSAVG: 1183000 -53.1783 117.912 -2.42484 120.065 20.1607 -5.83796 -0.216202 -4.46623 -2.68159 TIMING: 1183000 CPU: 3738.1, 0.00316033/step Wall: 3738.1, 0.00316033/step, 3.35082 hours remaining, 233.082031 MB of memory in use. ENERGY: 1183000 3961.4045 20607.5973 14570.8550 250.8739 -204038.4278 3184.3553 0.0000 0.0000 51817.3529 -109645.9888 297.7950 -161463.3417 -109286.5747 298.1246 51.7881 76.9174 761905.9100 -12.1744 -11.8997 PRESSURE: 1183200 61.3203 -117.75 -67.1122 -117.749 -62.0063 -20.275 -67.1122 -20.2767 96.8064 GPRESSURE: 1183200 23.9166 64.7162 1.86523 -84.7128 39.0796 -8.3 -86.492 106.184 114.293 PRESSAVG: 1183200 0.383484 43.7627 12.8516 43.7628 22.435 -12.6298 12.8516 -12.6297 13.4542 GPRESSAVG: 1183200 1.04522 45.2569 15.4508 42.4512 23.1034 -13.0391 12.3487 -10.4846 12.5404 TIMING: 1183200 CPU: 3738.73, 0.00316176/step Wall: 3738.73, 0.00316176/step, 3.35217 hours remaining, 233.082031 MB of memory in use. ENERGY: 1183200 3987.1149 20514.7506 14566.7150 251.0893 -203619.7724 2563.9871 0.0000 0.0000 51987.8296 -109748.2859 298.7748 -161736.1155 -109393.7926 298.2710 32.0401 59.0965 763066.7252 12.0909 12.2297 PRESSURE: 1183400 223.385 134.631 -79.348 134.631 -382.408 -124.296 -79.3481 -124.295 360.882 GPRESSURE: 1183400 158.963 31.4577 -50.2816 130.532 -257.231 -52.9697 -134.821 -58.9403 363.567 PRESSAVG: 1183400 2.25041 50.5961 -16.9972 50.5961 -3.40878 -16.8197 -16.9972 -16.8197 -11.013 GPRESSAVG: 1183400 1.74944 48.6013 -16.867 49.7372 -2.19538 -16.1172 -15.7829 -19.1828 -11.5269 TIMING: 1183400 CPU: 3739.36, 0.00315183/step Wall: 3739.36, 0.00315183/step, 3.34147 hours remaining, 233.082031 MB of memory in use. ENERGY: 1183400 3993.3537 20426.0635 14570.1455 244.8259 -203527.0269 2738.4783 0.0000 0.0000 51817.5809 -109736.5792 297.7963 -161554.1600 -109382.3215 298.6230 67.2860 88.4331 762978.2061 -4.0571 -3.9910 PRESSURE: 1183600 -272.816 89.8886 -43.6429 89.8891 205.041 73.7611 -43.6425 73.7607 -35.6238 GPRESSURE: 1183600 -120.098 89.749 29.1236 104.292 231.371 114.228 -75.7066 79.1157 -134.385 PRESSAVG: 1183600 -18.1771 19.6335 -15.2502 19.6334 31.3258 17.0134 -15.2503 17.0133 -6.26497 GPRESSAVG: 1183600 -17.4982 19.0413 -16.8972 20.9871 31.2144 16.134 -16.071 19.1095 -7.20884 TIMING: 1183600 CPU: 3739.99, 0.00315448/step Wall: 3739.99, 0.00315448/step, 3.3441 hours remaining, 233.082031 MB of memory in use. ENERGY: 1183600 3911.9305 20314.1371 14513.6434 259.4040 -203597.6119 2748.1677 0.0000 0.0000 52250.9291 -109599.4001 300.2868 -161850.3292 -109231.9120 298.0645 -34.4663 -7.7041 763465.0538 2.2946 2.1691 PRESSURE: 1183800 -230.735 -158.52 -20.5812 -158.52 -243.55 -186.218 -20.581 -186.217 -488.321 GPRESSURE: 1183800 -233.312 -186.992 33.2914 -162.924 -215.423 -334.898 -34.9226 49.8508 -424.016 PRESSAVG: 1183800 -29.552 10.0783 -43.316 10.0783 6.30354 -12.4647 -43.3161 -12.4647 4.91665 GPRESSAVG: 1183800 -28.5992 10.2419 -43.8203 10.3244 5.30191 -13.6072 -41.2087 -12.4404 6.16328 TIMING: 1183800 CPU: 3740.62, 0.00314141/step Wall: 3740.62, 0.00314141/step, 3.33007 hours remaining, 233.082031 MB of memory in use. ENERGY: 1183800 3979.8946 20593.5634 14581.2224 262.5327 -203525.7498 2582.2781 0.0000 0.0000 52001.7521 -109524.5064 298.8548 -161526.2585 -109154.0352 298.5182 -320.8686 -290.9168 761480.2783 -6.1106 -5.7114 PRESSURE: 1184000 -259.801 25.5102 243.178 25.5103 -417.078 -16.2565 243.178 -16.256 -103.515 GPRESSURE: 1184000 -255.149 -14.7015 300.917 65.2013 -311.525 30.9013 174.907 -7.94059 -125.891 PRESSAVG: 1184000 52.5668 -30.9638 -0.96931 -30.9639 14.976 28.3392 -0.969278 28.3392 -7.81213 GPRESSAVG: 1184000 49.8885 -29.7446 -1.41524 -30.4957 16.8821 30.2877 -2.2646 27.5387 -7.2864 TIMING: 1184000 CPU: 3741.25, 0.00314793/step Wall: 3741.25, 0.00314793/step, 3.33681 hours remaining, 233.082031 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: 1184000 3962.5187 20519.3321 14365.3592 239.2810 -203139.4134 2504.4937 0.0000 0.0000 51850.2267 -109698.2021 297.9840 -161548.4288 -109339.5209 298.5438 -260.1312 -230.8551 761327.9115 19.9102 19.8281 PRESSURE: 1184200 -176.871 -18.8335 -378.543 -18.8335 -74.7863 146.173 -378.544 146.173 226.423 GPRESSURE: 1184200 -234.296 -76.4247 -358.982 -24.6497 73.3044 185.246 -245.132 123.475 223.169 PRESSAVG: 1184200 54.5774 40.9267 -16.8892 40.9267 -41.9391 12.44 -16.8892 12.44 11.5292 GPRESSAVG: 1184200 54.5669 39.7047 -15.361 40.0329 -42.1467 11.9075 -19.1504 11.2022 11.6993 TIMING: 1184200 CPU: 3741.88, 0.00313501/step Wall: 3741.88, 0.00313501/step, 3.32294 hours remaining, 233.082031 MB of memory in use. ENERGY: 1184200 3999.6438 20478.6249 14553.3744 224.7243 -203463.0196 2673.9337 0.0000 0.0000 51786.4206 -109746.2979 297.6173 -161532.7185 -109382.5289 298.1849 -8.4116 20.7259 763762.7858 8.0558 8.0398 LDB: ============= START OF LOAD BALANCING ============== 3754.41 LDB: ============== END OF LOAD BALANCING =============== 3754.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3754.41 LDB: ============= START OF LOAD BALANCING ============== 3754.73 LDB: Largest compute 7042 load 0.030743 is 15.7% of average load 0.195395 LDB: Average compute 0.004414 is 2.3% of average load 0.195395 LDB: TIME 3754.73 LOAD: AVG 0.195395 MAX 0.216561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.621 MB LDB: TIME 3754.73 LOAD: AVG 0.195395 MAX 0.216561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: TIME 3754.74 LOAD: AVG 0.195395 MAX 0.216561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: ============== END OF LOAD BALANCING =============== 3754.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3754.74 PRESSURE: 1184400 -151.921 -40.5937 118.302 -40.5941 -257.758 100.291 118.301 100.291 76.7864 GPRESSURE: 1184400 -150.425 57.4508 99.4192 -103.893 -163.019 74.8558 153.255 127.113 72.717 PRESSAVG: 1184400 25.9172 7.36074 4.42904 7.36073 -69.2634 21.5652 4.42913 21.5652 3.20533 GPRESSAVG: 1184400 26.3119 7.04379 2.58953 6.30075 -68.2333 22.0097 6.04285 21.4749 2.69984 TIMING: 1184400 CPU: 3742.53, 0.00324572/step Wall: 3742.53, 0.00324572/step, 3.44011 hours remaining, 232.878906 MB of memory in use. ENERGY: 1184400 4007.8180 20437.3401 14456.4902 229.0547 -203579.3512 2810.7358 0.0000 0.0000 51748.6017 -109889.3106 297.3999 -161637.9123 -109544.4407 298.1779 -110.9641 -80.2424 763487.2195 -13.3803 -13.0739 PRESSURE: 1184600 -71.5339 -146.134 -13.7581 -146.134 401.165 -34.5822 -13.7587 -34.5807 -328.4 GPRESSURE: 1184600 -14.5768 -80.764 -45.1624 -98.2399 338.989 6.93624 -97.4433 -99.3048 -256.666 PRESSAVG: 1184600 8.01464 53.0865 -85.5398 53.0864 -0.46808 -66.4377 -85.5398 -66.4377 -10.3163 GPRESSAVG: 1184600 8.84395 54.3162 -82.7897 53.1972 -2.24735 -67.9869 -86.7698 -64.0622 -8.99237 TIMING: 1184600 CPU: 3743.16, 0.00317082/step Wall: 3743.16, 0.00317082/step, 3.36054 hours remaining, 232.878906 MB of memory in use. ENERGY: 1184600 3957.7393 20451.6163 14467.5117 251.2595 -203791.8062 2989.2048 0.0000 0.0000 51939.6264 -109734.8483 298.4977 -161674.4746 -109366.7263 297.9206 0.4104 22.5823 762474.4805 -0.9232 -0.7986 PRESSURE: 1184800 34.7899 -60.6637 79.2836 -60.664 0.541569 -168.405 79.2832 -168.405 213.765 GPRESSURE: 1184800 -0.576149 -158.063 166.883 -124.109 59.1145 -126.355 79.5609 -133.245 283.363 PRESSAVG: 1184800 27.6788 68.0624 -12.1212 68.0624 -17.1066 -25.7588 -12.1212 -25.7588 -1.56365 GPRESSAVG: 1184800 27.9645 69.2458 -10.8397 68.1056 -15.9614 -24.4145 -11.5945 -30.0536 -3.30532 TIMING: 1184800 CPU: 3743.79, 0.00316715/step Wall: 3743.79, 0.00316715/step, 3.35647 hours remaining, 232.878906 MB of memory in use. ENERGY: 1184800 3916.0862 20476.8597 14433.2937 242.6963 -203337.6783 2632.5275 0.0000 0.0000 51837.6410 -109798.5739 297.9116 -161636.2148 -109437.8126 298.1798 83.0321 113.9673 762713.5154 3.0029 2.8993 PRESSURE: 1185000 162.974 -12.1203 195.303 -12.1199 162.814 36.9906 195.303 36.9907 254.949 GPRESSURE: 1185000 279.121 23.3227 139.087 -18.7228 123.613 87.4432 299.836 54.9875 270.57 PRESSAVG: 1185000 15.6296 26.8002 43.6385 26.8002 -8.7954 35.5116 43.6385 35.5117 -5.66667 GPRESSAVG: 1185000 15.6408 26.2013 42.1788 26.4867 -9.92984 34.965 43.0265 37.8231 -4.31775 TIMING: 1185000 CPU: 3744.43, 0.0031673/step Wall: 3744.43, 0.0031673/step, 3.35646 hours remaining, 232.878906 MB of memory in use. ENERGY: 1185000 3947.7635 20370.6881 14551.1460 241.0434 -203895.1011 3021.6032 0.0000 0.0000 52089.9191 -109672.9377 299.3615 -161762.8569 -109309.3724 298.3113 193.5789 224.4348 761998.3298 0.3892 0.4644 PRESSURE: 1185200 -133.955 185.786 -6.7738 185.785 29.6317 -27.0901 -6.77303 -27.0905 -340.981 GPRESSURE: 1185200 -105.707 95.438 -3.42587 188.045 90.3744 -12.7261 30.9926 48.3898 -354.34 PRESSAVG: 1185200 20.4728 -9.02574 38.7161 -9.02567 -31.1434 -9.87161 38.7161 -9.87165 5.78436 GPRESSAVG: 1185200 20.9438 -9.38358 38.4256 -9.13409 -32.2591 -9.63044 40.0915 -10.1666 5.97777 TIMING: 1185200 CPU: 3745.06, 0.00316385/step Wall: 3745.06, 0.00316385/step, 3.35263 hours remaining, 232.878906 MB of memory in use. ENERGY: 1185200 3967.2915 20664.3971 14551.5948 238.1118 -203366.0571 2646.8727 0.0000 0.0000 51864.5185 -109433.2707 298.0661 -161297.7892 -109086.3929 298.4906 -148.4348 -123.2243 763640.9393 -1.6287 -1.7792 PRESSURE: 1185400 35.4997 -16.3672 -82.9237 -16.3671 -70.8973 -35.7482 -82.9232 -35.7482 183.169 GPRESSURE: 1185400 26.8041 -113.626 -158.337 50.0121 -74.8553 -33.2538 -144.106 -39.0673 281.385 PRESSAVG: 1185400 39.4355 0.234046 -45.0843 0.234051 -47.7225 -7.18113 -45.0844 -7.18103 12.1867 GPRESSAVG: 1185400 38.1445 0.833687 -47.745 -0.406017 -47.1185 -7.13703 -45.4712 -5.2842 13.0694 TIMING: 1185400 CPU: 3745.69, 0.00316321/step Wall: 3745.69, 0.00316321/step, 3.35177 hours remaining, 232.878906 MB of memory in use. ENERGY: 1185400 3955.6351 20331.7048 14510.1698 249.4468 -203494.3238 2855.1827 0.0000 0.0000 52111.6876 -109480.4971 299.4866 -161592.1847 -109107.0788 298.4065 49.2573 77.7780 762521.9474 1.2999 1.3651 PRESSURE: 1185600 -268.505 -69.0772 17.9381 -69.0778 -356.376 -14.3049 17.9381 -14.3039 -425.072 GPRESSURE: 1185600 -314.517 -125.772 48.178 -124.209 -278.184 115.762 -46.3083 -41.9599 -352.31 PRESSAVG: 1185600 -60.1887 23.8693 -15.2492 23.8692 83.8035 9.65127 -15.2492 9.65121 -11.309 GPRESSAVG: 1185600 -60.3069 22.0891 -14.047 24.4456 85.4225 8.7244 -13.5125 9.79717 -12.9296 TIMING: 1185600 CPU: 3746.32, 0.00313158/step Wall: 3746.32, 0.00313158/step, 3.31808 hours remaining, 232.878906 MB of memory in use. ENERGY: 1185600 3970.1138 20576.8340 14474.4080 224.7350 -203273.2557 2805.6892 0.0000 0.0000 51827.5186 -109393.9570 297.8535 -161221.4756 -109031.1307 298.9667 -349.9844 -315.0036 765203.8566 4.1019 4.0620 PRESSURE: 1185800 -175.661 78.4921 -200.437 78.4931 -276.915 183.515 -200.437 183.515 -303.629 GPRESSURE: 1185800 -152.63 73.3714 -256.462 40.2047 -184.763 230.831 -222.874 278.156 -336.989 PRESSAVG: 1185800 18.6235 18.9969 -29.126 18.9969 6.20326 15.0276 -29.126 15.0274 13.4501 GPRESSAVG: 1185800 19.3428 20.9754 -28.5864 20.6889 3.95391 15.7237 -29.4577 15.2358 14.0665 TIMING: 1185800 CPU: 3746.95, 0.00314725/step Wall: 3746.95, 0.00314725/step, 3.33451 hours remaining, 232.878906 MB of memory in use. ENERGY: 1185800 3888.2166 20547.2033 14491.3658 223.6480 -203119.2996 2575.8952 0.0000 0.0000 51855.7983 -109537.1725 298.0160 -161392.9708 -109184.8741 298.5757 -252.0682 -224.7939 763038.2854 12.7589 12.4544 PRESSURE: 1186000 91.4408 -127.993 65.6369 -127.994 159.373 137.573 65.6375 137.574 -138.954 GPRESSURE: 1186000 -52.3738 -183.539 75.3506 -139.411 171.095 116.004 212.374 63.0941 63.4016 PRESSAVG: 1186000 27.0888 31.901 17.8055 31.901 5.24993 -24.0478 17.8055 -24.0478 -14.0486 GPRESSAVG: 1186000 26.7454 30.4759 18.6343 30.3562 5.26163 -23.0809 17.1989 -25.0676 -13.9985 TIMING: 1186000 CPU: 3747.57, 0.00312581/step Wall: 3747.57, 0.00312581/step, 3.31162 hours remaining, 232.878906 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: 1186000 3905.6590 20376.4947 14497.2088 252.9917 -203167.2263 2586.2783 0.0000 0.0000 52103.3261 -109445.2677 299.4385 -161548.5938 -109078.0651 298.5746 37.2866 60.7076 762521.4996 6.0967 6.0028 PRESSURE: 1186200 -6.9679 104.442 91.0973 104.443 215.241 -116.699 91.097 -116.699 148.85 GPRESSURE: 1186200 13.4036 139.097 21.2785 212.678 238.441 -45.2405 -38.3869 -28.2998 183.011 PRESSAVG: 1186200 -43.7692 5.47607 19.296 5.47602 35.6937 16.957 19.296 16.957 -8.79242 GPRESSAVG: 1186200 -43.8445 5.93609 19.1967 6.22526 35.5763 15.3626 19.2119 15.8571 -9.16825 TIMING: 1186200 CPU: 3748.2, 0.00312827/step Wall: 3748.2, 0.00312827/step, 3.31405 hours remaining, 232.878906 MB of memory in use. ENERGY: 1186200 3854.6173 20481.3805 14541.6194 224.2224 -203373.4290 2833.0699 0.0000 0.0000 52127.3986 -109311.1209 299.5769 -161438.5195 -108940.7288 298.6402 119.0408 144.9520 763370.1474 -5.6226 -5.8122 PRESSURE: 1186400 -29.1339 -242.596 -63.7953 -242.596 -218.367 -23.8993 -63.7955 -23.8998 -238.619 GPRESSURE: 1186400 -18.5426 -92.4234 23.9839 -174.252 -244.821 -151.087 -113.651 172.018 -136.48 PRESSAVG: 1186400 -41.9914 10.2796 15.8794 10.2796 7.38851 -3.58838 15.8795 -3.58837 -13.0396 GPRESSAVG: 1186400 -43.1386 9.36661 17.1445 9.96593 7.93139 -3.31957 15.5376 -1.78037 -12.9291 TIMING: 1186400 CPU: 3748.83, 0.00314114/step Wall: 3748.83, 0.00314114/step, 3.32751 hours remaining, 232.878906 MB of memory in use. ENERGY: 1186400 4000.0708 20610.7956 14519.6899 237.7865 -202947.9477 2458.4440 0.0000 0.0000 52057.8858 -109063.2750 299.1774 -161121.1609 -108701.5259 299.2644 -162.0401 -133.2814 764197.1042 -15.8808 -16.0454 PRESSURE: 1186600 -57.7864 26.1478 196.123 26.1482 116.756 199.004 196.122 199.005 143.104 GPRESSURE: 1186600 -12.026 -12.5943 162.563 52.5063 140.032 232.454 221.323 69.3516 176.936 PRESSAVG: 1186600 -14.9429 -30.9635 -40.5579 -30.9635 27.3392 20.7567 -40.5579 20.7567 4.67732 GPRESSAVG: 1186600 -14.3168 -30.8641 -42.7241 -30.7162 27.2881 20.7093 -39.5501 19.5061 5.04849 TIMING: 1186600 CPU: 3749.45, 0.00313163/step Wall: 3749.45, 0.00313163/step, 3.31727 hours remaining, 232.878906 MB of memory in use. ENERGY: 1186600 3940.5682 20548.4043 14492.8647 247.3142 -203213.3207 2930.6033 0.0000 0.0000 52093.3221 -108960.2439 299.3810 -161053.5660 -108596.9062 299.7309 67.3580 101.6474 764927.7111 5.6912 6.0066 PRESSURE: 1186800 22.8784 -141.93 -92.1658 -141.929 148.534 1.39897 -92.1655 1.39883 91.5786 GPRESSURE: 1186800 107.085 -250.551 -53.5286 -212.319 160.56 36.5814 -145.88 -63.1354 76.0164 PRESSAVG: 1186800 -15.8727 -1.42417 -32.368 -1.42411 13.5795 43.5287 -32.368 43.5287 -20.3391 GPRESSAVG: 1186800 -15.7949 -0.822841 -30.9782 -2.35795 13.5681 44.681 -34.0913 44.0121 -20.998 TIMING: 1186800 CPU: 3750.08, 0.00313475/step Wall: 3750.08, 0.00313475/step, 3.3204 hours remaining, 232.878906 MB of memory in use. ENERGY: 1186800 4013.9250 20491.5972 14492.0051 237.0217 -203206.4406 2775.2228 0.0000 0.0000 52223.3823 -108973.2865 300.1285 -161196.6688 -108608.8765 299.7312 87.6635 114.5536 763683.3673 -7.5441 -7.7416 PRESSURE: 1187000 165.139 -24.6982 144.1 -24.6974 272.189 -124.257 144.101 -124.256 -51.9816 GPRESSURE: 1187000 201.42 51.8686 141.56 102.351 348.505 -59.1094 234.911 -247.965 -82.6884 PRESSAVG: 1187000 -44.1238 -41.0051 6.20056 -41.0052 5.75009 27.8684 6.20059 27.8684 9.30257 GPRESSAVG: 1187000 -44.0704 -39.8278 4.28901 -40.5859 5.52754 26.274 8.27014 28.075 9.08063 TIMING: 1187000 CPU: 3750.71, 0.00315091/step Wall: 3750.71, 0.00315091/step, 3.33734 hours remaining, 232.878906 MB of memory in use. ENERGY: 1187000 4064.1338 20503.3359 14478.3523 228.8407 -203547.4782 2961.2636 0.0000 0.0000 52374.7986 -108936.7533 300.9987 -161311.5518 -108563.8506 299.8345 128.4490 155.7455 764127.1697 -9.6904 -9.8208 PRESSURE: 1187200 55.8662 257.154 -276.07 257.154 12.1449 -173.119 -276.071 -173.119 125.953 GPRESSURE: 1187200 110.381 213.166 -313.57 194.21 -26.9394 -110.737 -244.112 -164.479 197.118 PRESSAVG: 1187200 -14.7961 15.2686 -28.8458 15.2686 10.6768 35.0375 -28.8459 35.0376 20.316 GPRESSAVG: 1187200 -15.1623 15.3511 -27.6691 13.7239 10.4462 36.8128 -28.7901 35.5231 20.853 TIMING: 1187200 CPU: 3751.34, 0.00315388/step Wall: 3751.34, 0.00315388/step, 3.34031 hours remaining, 232.878906 MB of memory in use. ENERGY: 1187200 3980.1227 20667.5457 14390.5680 242.4190 -203228.2715 2838.5530 0.0000 0.0000 52060.8137 -109048.2494 299.1942 -161109.0631 -108683.3750 299.5946 64.6545 93.5198 764427.3021 5.3989 5.3790 PRESSURE: 1187400 42.8615 180.42 139.849 180.421 -106.251 -56.3133 139.85 -56.3142 55.8215 GPRESSURE: 1187400 90.5493 264.306 40.5688 140.816 -62.3712 -23.881 47.8186 32.237 41.1871 PRESSAVG: 1187400 14.9887 51.5762 -50.2247 51.5762 23.0685 5.25393 -50.2247 5.25397 -5.809 GPRESSAVG: 1187400 15.4905 51.0489 -50.3301 52.4228 22.3495 4.38784 -51.9904 4.71115 -5.2773 TIMING: 1187400 CPU: 3751.97, 0.00314214/step Wall: 3751.97, 0.00314215/step, 3.32771 hours remaining, 232.878906 MB of memory in use. ENERGY: 1187400 4097.8450 20574.7868 14547.7239 261.2119 -203649.9050 2929.5020 0.0000 0.0000 52156.4013 -109082.4342 299.7436 -161238.8355 -108713.3569 299.5520 -2.5225 23.1217 762728.9665 10.7494 10.8543 PRESSURE: 1187600 -178.065 230.84 142.583 230.839 -198.895 -87.6112 142.583 -87.611 -79.9677 GPRESSURE: 1187600 -125.01 110.746 59.7068 179.63 -146.494 -62.5438 95.6227 -37.8999 -90.2843 PRESSAVG: 1187600 34.1856 51.4762 18.398 51.4762 -18.6477 -2.51301 18.3979 -2.51302 -0.408939 GPRESSAVG: 1187600 34.044 50.6153 20.9128 52.2197 -18.5922 -3.27145 17.8047 -2.32172 -0.671226 TIMING: 1187600 CPU: 3752.6, 0.00314449/step Wall: 3752.6, 0.00314449/step, 3.33001 hours remaining, 232.878906 MB of memory in use. ENERGY: 1187600 3993.2043 20439.4931 14516.8559 257.6621 -203227.4678 2481.7853 0.0000 0.0000 52394.1471 -109144.3201 301.1099 -161538.4672 -108780.2243 299.7147 -152.3092 -120.5959 761262.0771 5.0430 4.9269 PRESSURE: 1187800 -120.519 257.791 75.1405 257.791 5.65003 158.999 75.1404 158.999 444.553 GPRESSURE: 1187800 3.67051 252.069 25.472 69.4082 -21.4989 104.141 59.0014 209.243 419.018 PRESSAVG: 1187800 -6.64788 -15.8183 8.91096 -15.8183 -8.27471 -9.90104 8.91086 -9.90112 -1.55804 GPRESSAVG: 1187800 -6.93611 -13.8029 6.17761 -17.2703 -7.73129 -9.93594 11.089 -9.04635 -1.72841 TIMING: 1187800 CPU: 3753.22, 0.00313138/step Wall: 3753.22, 0.00313138/step, 3.31595 hours remaining, 232.878906 MB of memory in use. ENERGY: 1187800 3962.7698 20487.9571 14464.5908 249.1624 -203120.7778 2587.3362 0.0000 0.0000 52169.2117 -109199.7499 299.8172 -161368.9616 -108820.9271 299.4298 109.8948 133.7299 763076.4333 -5.4935 -5.4653 PRESSURE: 1188000 71.7663 -222.586 25.4442 -222.585 2.7369 -102.955 25.4445 -102.955 -104.756 GPRESSURE: 1188000 113.877 -229.683 -16.1097 -204.445 57.9477 -153.047 62.4736 -97.998 -116.175 PRESSAVG: 1188000 -9.73973 -2.4329 -9.70128 -2.43284 -26.654 -49.4329 -9.70118 -49.4329 24.5701 GPRESSAVG: 1188000 -9.56563 -3.91034 -8.34707 -0.75461 -26.635 -50.1983 -11.8405 -49.7979 24.2421 TIMING: 1188000 CPU: 3753.86, 0.00316462/step Wall: 3753.86, 0.00316462/step, 3.35098 hours remaining, 232.878906 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: 1188000 3995.6488 20607.3727 14474.0097 240.3598 -203552.2352 2627.6591 0.0000 0.0000 52433.0595 -109174.1257 301.3335 -161607.1851 -108805.9240 299.4764 -10.0842 18.5499 761260.6025 -3.9412 -3.9862 PRESSURE: 1188200 -23.5463 -340.175 -104.485 -340.175 -212.024 -281.581 -104.484 -281.582 -131.681 GPRESSURE: 1188200 -52.4334 -246.357 -169.633 -176.056 -221.584 -282.303 -33.901 -179.096 -16.6644 PRESSAVG: 1188200 43.7296 -51.792 -70.7386 -51.792 -18.5612 15.713 -70.7386 15.713 16.0005 GPRESSAVG: 1188200 42.7899 -50.3703 -71.0097 -51.289 -19.8062 17.6962 -69.4288 14.278 18.3361 TIMING: 1188200 CPU: 3754.49, 0.00316539/step Wall: 3754.49, 0.00316539/step, 3.35162 hours remaining, 232.878906 MB of memory in use. ENERGY: 1188200 3989.2624 20650.7388 14397.7880 257.4263 -203095.3689 2636.1714 0.0000 0.0000 52113.4810 -109050.5009 299.4969 -161163.9819 -108689.1435 299.9962 -122.4170 -96.8938 762702.6862 13.7230 13.7733 LDB: ============= START OF LOAD BALANCING ============== 3767.02 LDB: ============== END OF LOAD BALANCING =============== 3767.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3767.02 LDB: ============= START OF LOAD BALANCING ============== 3767.34 LDB: Largest compute 7053 load 0.031245 is 16.0% of average load 0.195325 LDB: Average compute 0.004406 is 2.3% of average load 0.195325 LDB: TIME 3767.34 LOAD: AVG 0.195325 MAX 0.216747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.902 MB LDB: TIME 3767.34 LOAD: AVG 0.195325 MAX 0.216747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: TIME 3767.34 LOAD: AVG 0.195325 MAX 0.216747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: ============== END OF LOAD BALANCING =============== 3767.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3767.35 PRESSURE: 1188400 -81.3223 -83.2956 -243.378 -83.2959 -182.069 -159.209 -243.379 -159.21 -46.6431 GPRESSURE: 1188400 -106.569 -161.907 -170.453 -18.9642 -71.2473 -131.659 -225.985 -135.506 -49.1582 PRESSAVG: 1188400 -5.27764 -14.7416 -78.7494 -14.7415 -1.38491 -61.9082 -78.7495 -61.9082 8.81332 GPRESSAVG: 1188400 -5.42171 -15.8812 -78.0391 -16.4758 -0.453294 -63.7255 -79.7275 -60.5149 8.20873 TIMING: 1188400 CPU: 3755.13, 0.00321918/step Wall: 3755.13, 0.00321918/step, 3.40839 hours remaining, 234.160156 MB of memory in use. ENERGY: 1188400 4038.1187 20532.8900 14449.0258 260.6689 -203303.0983 2890.1175 0.0000 0.0000 52245.6804 -108886.5969 300.2566 -161132.2773 -108524.6795 300.0354 -103.3449 -75.6583 763025.0758 0.7169 0.7779 PRESSURE: 1188600 -40.0243 87.4099 -123.991 87.4094 -147.441 71.2861 -123.991 71.2863 215.207 GPRESSURE: 1188600 43.0535 74.9774 -79.4584 38.7543 -121.517 53.6332 -110.333 61.4028 190.657 PRESSAVG: 1188600 -2.92351 30.3939 -57.4322 30.394 7.28838 -56.988 -57.4322 -56.9879 12.3262 GPRESSAVG: 1188600 -2.28056 30.6856 -57.7417 32.4193 6.63515 -56.3218 -57.5841 -55.3361 11.8661 TIMING: 1188600 CPU: 3755.77, 0.00315702/step Wall: 3755.77, 0.00315702/step, 3.34241 hours remaining, 234.160156 MB of memory in use. ENERGY: 1188600 3955.6022 20531.1049 14511.6891 253.2717 -203278.4321 2818.7269 0.0000 0.0000 52114.8628 -109093.1746 299.5048 -161208.0374 -108723.0657 299.7171 9.2472 37.3977 763529.9195 5.5637 5.4069 PRESSURE: 1188800 -252.648 135.9 16.5254 135.9 -220.654 -18.7754 16.5254 -18.7742 -245.609 GPRESSURE: 1188800 -273.048 -10.9575 8.1211 107.889 -159.077 -39.4913 141.692 -56.211 -196.446 PRESSAVG: 1188800 6.26565 -0.996587 -59.0503 -0.996589 -9.78546 22.5187 -59.0502 22.5188 11.3507 GPRESSAVG: 1188800 6.13148 -1.03015 -58.5164 -2.27614 -10.4489 23.1249 -56.0964 20.69 11.9277 TIMING: 1188800 CPU: 3756.4, 0.00315532/step Wall: 3756.4, 0.00315532/step, 3.34043 hours remaining, 234.160156 MB of memory in use. ENERGY: 1188800 4093.8171 20613.1876 14503.4141 236.3552 -202949.8082 2405.8386 0.0000 0.0000 51998.6329 -109098.5626 298.8369 -161097.1955 -108740.1148 300.0039 -239.6368 -209.5235 762146.4182 2.6103 2.5368 PRESSURE: 1189000 -30.4802 236.432 3.90848 236.432 -138.069 119.72 3.90777 119.72 -12.7061 GPRESSURE: 1189000 38.1173 190.732 72.9255 222.28 -88.6799 89.8145 -128.086 116.26 -42.4245 PRESSAVG: 1189000 -31.102 7.76901 -62.1106 7.76903 18.7704 -56.5237 -62.1106 -56.5237 -27.3535 GPRESSAVG: 1189000 -30.7628 7.20534 -61.4204 8.36149 19.6529 -56.44 -66.0573 -57.0453 -28.6342 TIMING: 1189000 CPU: 3757.03, 0.003168/step Wall: 3757.03, 0.003168/step, 3.35368 hours remaining, 234.160156 MB of memory in use. ENERGY: 1189000 3982.3092 20635.2983 14487.3228 259.6837 -203318.3944 2614.4850 0.0000 0.0000 52170.7135 -109168.5819 299.8258 -161339.2954 -108810.9101 299.7761 -60.4184 -30.9957 762169.0415 -13.2284 -13.2481 PRESSURE: 1189200 -270.546 -289.906 46.7525 -289.907 -290.769 -298.678 46.7522 -298.677 40.3743 GPRESSURE: 1189200 -168.581 -307.873 -20.6387 -192.916 -305.465 -239.279 112.759 -265.862 50.3325 PRESSAVG: 1189200 -9.6862 -3.99797 -25.121 -3.99798 33.8376 -10.1071 -25.1211 -10.1072 15.9155 GPRESSAVG: 1189200 -8.8888 -4.97238 -26.0055 -3.38163 33.03 -10.9266 -23.3475 -8.52878 15.6564 TIMING: 1189200 CPU: 3757.66, 0.00316372/step Wall: 3757.66, 0.00316372/step, 3.34897 hours remaining, 234.160156 MB of memory in use. ENERGY: 1189200 4009.4341 20557.2034 14567.6551 244.8511 -203281.5697 2619.4302 0.0000 0.0000 51955.9115 -109327.0842 298.5913 -161282.9957 -108962.3616 299.4817 -173.6469 -141.2380 763997.9233 13.3556 13.2659 PRESSURE: 1189400 -670.547 159.034 134.234 159.035 -266.011 -94.7968 134.234 -94.7974 -17.3693 GPRESSURE: 1189400 -554.409 226.136 237.613 53.6392 -219.692 -77.2576 -60.1984 78.5454 -97.0162 PRESSAVG: 1189400 26.4591 -23.9816 9.11954 -23.9815 -3.81839 -38.2018 9.11955 -38.2018 6.84772 GPRESSAVG: 1189400 25.5946 -19.8864 8.69203 -26.312 -4.2053 -37.5177 8.63757 -39.1068 8.22098 TIMING: 1189400 CPU: 3758.3, 0.0031893/step Wall: 3758.3, 0.0031893/step, 3.37588 hours remaining, 234.160156 MB of memory in use. ENERGY: 1189400 3997.2293 20604.0281 14558.7611 251.4555 -203521.7558 2695.9573 0.0000 0.0000 52219.6929 -109194.6316 300.1073 -161414.3245 -108835.7669 299.7472 -317.9760 -290.3723 764386.9810 9.8295 9.8701 PRESSURE: 1189600 -77.5612 -10.6716 -145.304 -10.6712 -140.14 -69.5711 -145.304 -69.5717 -154.558 GPRESSURE: 1189600 -97.7402 111.434 27.687 37.1258 17.9626 -185.179 -113.9 -48.2332 -211.612 PRESSAVG: 1189600 -2.2057 -8.93107 -20.0766 -8.93113 -28.7921 -5.44776 -20.0766 -5.44769 -5.75663 GPRESSAVG: 1189600 -1.81617 -13.0779 -18.4343 -6.73223 -28.4855 -7.11533 -18.5856 -3.71428 -6.35921 TIMING: 1189600 CPU: 3758.93, 0.00315699/step Wall: 3758.93, 0.00315699/step, 3.3415 hours remaining, 234.160156 MB of memory in use. ENERGY: 1189600 4007.0699 20488.5581 14567.2585 259.8084 -203303.2063 2717.9166 0.0000 0.0000 52136.7389 -109125.8558 299.6306 -161262.5947 -108774.9918 299.3257 -124.0866 -97.1298 762394.8826 -12.2515 -12.2203 PRESSURE: 1189800 -135.458 88.0089 -181.688 88.0074 -30.4334 -169.47 -181.688 -169.469 -87.0026 GPRESSURE: 1189800 -73.5017 -23.9468 -237.397 18.903 -54.1198 -188.334 -67.8726 -153.769 -27.3081 PRESSAVG: 1189800 -53.5931 13.4298 -27.0168 13.4298 48.4646 -4.22844 -27.0168 -4.22841 -15.8788 GPRESSAVG: 1189800 -53.9588 16.839 -28.9603 9.91025 48.651 -3.51811 -26.0848 -5.48255 -15.6122 TIMING: 1189800 CPU: 3759.57, 0.00317528/step Wall: 3759.57, 0.00317528/step, 3.36068 hours remaining, 234.160156 MB of memory in use. ENERGY: 1189800 4011.8039 20673.3504 14469.7512 243.6592 -203104.7236 2524.8515 0.0000 0.0000 52085.0196 -109096.2878 299.3333 -161181.3074 -108742.2416 299.3409 -84.2981 -51.6432 762917.0112 -7.0024 -6.9733 PRESSURE: 1190000 -66.3018 -18.9029 44.0918 -18.9029 -137.394 -55.3814 44.0923 -55.3809 37.8614 GPRESSURE: 1190000 20.627 35.1669 83.2576 151.501 -102.975 -153.222 -34.2736 -85.8964 -0.928118 PRESSAVG: 1190000 15.1391 75.8187 -35.9545 75.8187 -31.0902 1.95379 -35.9545 1.95384 -18.5908 GPRESSAVG: 1190000 14.4343 72.927 -35.5759 78.3648 -31.3475 4.09776 -39.0022 0.908317 -17.477 TIMING: 1190000 CPU: 3760.2, 0.00317859/step Wall: 3760.2, 0.00317859/step, 3.36401 hours remaining, 234.160156 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: 1190000 4034.1396 20670.2275 14517.1656 231.4766 -203132.3298 2734.6247 0.0000 0.0000 51992.0834 -108952.6125 298.7992 -160944.6958 -108595.1472 299.5016 -55.2780 -27.7585 763647.1235 -11.5140 -11.4634 PRESSURE: 1190200 631.645 76.8402 -86.5675 76.8404 186.698 183.368 -86.5684 183.367 -226.006 GPRESSURE: 1190200 570.572 91.022 -52.4626 11.0411 281.143 267.556 -141.556 95.4368 -167.535 PRESSAVG: 1190200 76.5657 42.6148 -3.12358 42.6148 -81.9659 14.7529 -3.12366 14.753 25.8614 GPRESSAVG: 1190200 76.4847 43.3127 -1.07712 42.8345 -81.3982 14.0711 -2.17445 14.4171 25.397 TIMING: 1190200 CPU: 3760.84, 0.00317184/step Wall: 3760.84, 0.00317184/step, 3.35668 hours remaining, 234.160156 MB of memory in use. ENERGY: 1190200 3936.6783 20453.3421 14544.3101 267.9327 -203144.8322 2815.4658 0.0000 0.0000 52239.1038 -108887.9994 300.2188 -161127.1032 -108519.4792 299.6224 197.4455 228.0603 763318.4340 6.8204 6.8278 PRESSURE: 1190400 -404.324 27.2404 -212.852 27.2399 -126.732 100.7 -212.851 100.699 -107.509 GPRESSURE: 1190400 -328.062 13.3475 -291.56 -3.74509 -160.898 97.7319 -93.0856 174.111 -63.0447 PRESSAVG: 1190400 25.7803 52.8963 -59.6485 52.8962 1.44226 -27.9223 -59.6485 -27.9223 30.1063 GPRESSAVG: 1190400 27.1481 51.0355 -61.0322 53.3411 1.21253 -27.1908 -60.6247 -27.3725 29.4695 TIMING: 1190400 CPU: 3761.47, 0.00315489/step Wall: 3761.47, 0.00315489/step, 3.33857 hours remaining, 234.160156 MB of memory in use. ENERGY: 1190400 3952.6132 20609.0769 14605.0191 238.4575 -203211.9243 2668.5416 0.0000 0.0000 52274.0938 -108864.1222 300.4199 -161138.2159 -108501.3144 300.3035 -212.8551 -184.0016 762498.2276 19.1096 19.2767 PRESSURE: 1190600 -335.525 64.6965 -122.762 64.6968 -366.465 -124.174 -122.762 -124.174 -36.6287 GPRESSURE: 1190600 -297.368 151.437 -117.317 61.3539 -379.971 -198.744 -153.299 -57.4014 16.9932 PRESSAVG: 1190600 18.2234 -7.94818 -29.6269 -7.94823 -29.1991 9.65211 -29.6269 9.65202 -10.7228 GPRESSAVG: 1190600 18.1002 -4.67686 -30.2331 -7.48009 -29.2465 9.41772 -30.2594 11.3678 -11.1707 TIMING: 1190600 CPU: 3762.1, 0.00317846/step Wall: 3762.1, 0.00317846/step, 3.36334 hours remaining, 234.160156 MB of memory in use. ENERGY: 1190600 4017.6133 20628.1256 14535.8523 243.3089 -203076.9509 2563.5085 0.0000 0.0000 52389.9247 -108698.6177 301.0856 -161088.5424 -108320.6718 300.1179 -246.2061 -220.1156 762891.6082 -7.2328 -7.4390 PRESSURE: 1190800 155.382 205.177 -163.872 205.177 47.7416 -57.6306 -163.872 -57.6308 273.765 GPRESSURE: 1190800 117.489 272.588 -222.892 208.388 167.211 -113.922 -39.4525 -146.533 260.335 PRESSAVG: 1190800 -41.97 65.9175 -42.4796 65.9175 38.1243 -65.5653 -42.4796 -65.5652 -0.178117 GPRESSAVG: 1190800 -42.8234 63.911 -42.07 64.7626 37.8009 -64.7111 -42.1123 -66.8508 0.637112 TIMING: 1190800 CPU: 3762.73, 0.00315209/step Wall: 3762.73, 0.00315209/step, 3.33527 hours remaining, 234.160156 MB of memory in use. ENERGY: 1190800 3994.5266 20576.6754 14478.7489 256.8362 -202996.4580 2598.2449 0.0000 0.0000 52395.9254 -108695.5007 301.1201 -161091.4260 -108322.3529 300.5040 158.9628 181.6784 762163.2664 -1.3413 -1.4618 PRESSURE: 1191000 67.4921 121.045 275.035 121.045 -374.641 -160.65 275.035 -160.651 -413.564 GPRESSURE: 1191000 144.741 166.059 240.401 33.1048 -407.647 -169.525 243.742 -29.2458 -356.072 PRESSAVG: 1191000 13.1045 45.8657 21.8394 45.8657 7.33537 -100.586 21.8393 -100.586 25.9096 GPRESSAVG: 1191000 14.3976 46.5849 22.1565 45.3948 5.80255 -99.9755 22.7459 -101.021 25.9702 TIMING: 1191000 CPU: 3763.37, 0.00315794/step Wall: 3763.37, 0.00315794/step, 3.34128 hours remaining, 234.160156 MB of memory in use. ENERGY: 1191000 4046.6420 20519.3511 14470.3721 231.7541 -203081.6298 2680.0728 0.0000 0.0000 52223.4786 -108909.9591 300.1290 -161133.4377 -108542.0174 300.2884 -240.2375 -206.3263 761638.7312 15.4498 15.3901 PRESSURE: 1191200 43.9682 148.397 -64.2298 148.397 -143.425 120.805 -64.2302 120.804 64.1782 GPRESSURE: 1191200 55.5755 83.8275 -104.018 217.761 -104.713 23.9544 -41.9253 210.3 105.744 PRESSAVG: 1191200 37.7412 24.0092 -12.0875 24.0092 -17.4601 -15.9658 -12.0876 -15.9659 -11.3322 GPRESSAVG: 1191200 36.7633 23.1276 -13.0565 25.6693 -16.4852 -16.7963 -13.5848 -16.01 -10.8353 TIMING: 1191200 CPU: 3764, 0.00316071/step Wall: 3764, 0.00316071/step, 3.34403 hours remaining, 234.160156 MB of memory in use. ENERGY: 1191200 4025.1465 20481.4074 14613.6915 241.9713 -203003.1288 2451.8624 0.0000 0.0000 52155.4055 -109033.6442 299.7378 -161189.0497 -108675.3096 299.9563 -11.7597 18.8689 762900.6939 2.9830 3.1476 PRESSURE: 1191400 -148.764 132.688 -62.5332 132.689 -320.509 133.977 -62.5324 133.975 134.242 GPRESSURE: 1191400 -156.588 25.2589 -56.8456 107.31 -265.585 35.2584 -15.3711 125.08 163.559 PRESSAVG: 1191400 -21.8635 -6.56658 -4.75148 -6.56652 10.8008 10.9261 -4.75146 10.9261 33.6866 GPRESSAVG: 1191400 -21.5107 -6.28003 -4.14137 -8.44152 11.1999 9.81427 -1.41791 11.7004 33.2182 TIMING: 1191400 CPU: 3764.63, 0.00315563/step Wall: 3764.63, 0.00315563/step, 3.33848 hours remaining, 234.160156 MB of memory in use. ENERGY: 1191400 4062.7762 20508.1056 14514.4832 242.6627 -202835.9335 2438.7903 0.0000 0.0000 51918.3444 -109150.7711 298.3754 -161069.1155 -108788.5547 299.5798 -111.6772 -86.2045 762294.1370 7.5413 7.6358 PRESSURE: 1191600 386.398 77.0475 62.7843 77.0475 400.284 -30.921 62.7838 -30.9208 58.2087 GPRESSURE: 1191600 294.596 21.5482 50.9848 30.2945 423.497 67.4383 -13.5921 1.77209 206.24 PRESSAVG: 1191600 18.5529 -11.6 44.6648 -11.6 -20.3994 25.3225 44.6649 25.3226 -11.266 GPRESSAVG: 1191600 17.4318 -10.7887 42.8453 -12.4588 -19.83 26.9816 43.0176 25.482 -10.4469 TIMING: 1191600 CPU: 3765.26, 0.00317324/step Wall: 3765.26, 0.00317324/step, 3.35693 hours remaining, 234.160156 MB of memory in use. ENERGY: 1191600 3996.3944 20612.3541 14527.6319 243.0996 -203739.6350 3001.4120 0.0000 0.0000 52156.0675 -109202.6756 299.7416 -161358.7431 -108835.0356 299.5034 281.6301 308.1110 761199.2893 -4.3709 -4.2817 PRESSURE: 1191800 36.9544 -146.204 -8.83524 -146.204 4.3776 -108.037 -8.83545 -108.038 504.779 GPRESSURE: 1191800 77.4066 -207.519 -33.8058 -56.685 106.947 -96.4798 24.3196 -35.1866 454.95 PRESSAVG: 1191800 15.2547 -36.0438 16.9961 -36.0438 12.8345 -7.69302 16.9961 -7.69313 -36.0707 GPRESSAVG: 1191800 15.3136 -37.793 17.9442 -32.8388 12.7038 -8.07473 16.2403 -5.45365 -35.9059 TIMING: 1191800 CPU: 3765.9, 0.00317558/step Wall: 3765.9, 0.00317558/step, 3.35923 hours remaining, 234.160156 MB of memory in use. ENERGY: 1191800 3905.1899 20478.9245 14525.9650 238.8854 -202945.6958 2362.4045 0.0000 0.0000 52112.0062 -109322.3203 299.4884 -161434.3265 -108947.1457 299.6003 182.0368 213.1012 763025.3702 -2.6605 -2.6295 PRESSURE: 1192000 -30.057 -127.123 102.947 -127.123 -165.059 27.0608 102.947 27.0603 -101.543 GPRESSURE: 1192000 35.655 -261.679 124.823 -42.5975 -161.221 -28.4806 56.5549 -97.6899 -73.1363 PRESSAVG: 1192000 -39.6755 -8.54748 -18.7489 -8.54755 34.4957 -32.6662 -18.7489 -32.6663 -0.519035 GPRESSAVG: 1192000 -37.7049 -7.82045 -18.7423 -8.29988 33.1052 -32.3912 -19.9609 -34.264 -0.907481 TIMING: 1192000 CPU: 3766.53, 0.0031573/step Wall: 3766.53, 0.0031573/step, 3.33973 hours remaining, 234.160156 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: 1192000 3970.4957 20572.8504 14505.5566 247.4594 -203432.1884 2733.7222 0.0000 0.0000 52010.3416 -109391.7625 298.9041 -161402.1041 -109031.2606 299.5642 -98.8862 -66.2341 762525.5825 -1.8996 -1.8357 PRESSURE: 1192200 -446.257 64.8997 -36.1095 64.9012 -546.478 -223.304 -36.1089 -223.304 21.2385 GPRESSURE: 1192200 -349.339 105.4 -19.7764 -61.6662 -571.932 -294.785 2.77192 -225.391 24.703 PRESSAVG: 1192200 -36.6218 -25.7161 -22.2366 -25.716 26.2164 -48.9269 -22.2366 -48.927 -14.8343 GPRESSAVG: 1192200 -38.6147 -26.4296 -21.6261 -26.0167 27.8688 -49.9219 -22.1303 -50.3116 -14.9083 TIMING: 1192200 CPU: 3767.16, 0.00314492/step Wall: 3767.16, 0.00314492/step, 3.32645 hours remaining, 234.160156 MB of memory in use. ENERGY: 1192200 3970.5705 20580.6670 14562.7335 232.6934 -203222.0985 2600.4754 0.0000 0.0000 52071.6041 -109203.3546 299.2562 -161274.9587 -108845.0407 299.2819 -323.8322 -298.8559 764527.5631 -8.4132 -8.5514 LDB: ============= START OF LOAD BALANCING ============== 3779.69 LDB: ============== END OF LOAD BALANCING =============== 3779.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3779.69 LDB: ============= START OF LOAD BALANCING ============== 3780.01 LDB: Largest compute 7042 load 0.030818 is 15.8% of average load 0.195417 LDB: Average compute 0.004378 is 2.2% of average load 0.195417 LDB: TIME 3780.01 LOAD: AVG 0.195417 MAX 0.21911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.828 MB LDB: TIME 3780.01 LOAD: AVG 0.195417 MAX 0.21911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: TIME 3780.01 LOAD: AVG 0.195417 MAX 0.216353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.828 MB LDB: ============== END OF LOAD BALANCING =============== 3780.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3780.02 PRESSURE: 1192400 274.532 -228.415 -188.25 -228.416 307.824 21.6138 -188.25 21.6134 616.58 GPRESSURE: 1192400 260.976 -175.502 -307.226 -338.97 380.683 60.6368 -135.568 -46.3365 642.758 PRESSAVG: 1192400 -41.4354 23.0173 -45.6999 23.0173 43.8069 7.96769 -45.7 7.96766 29.7348 GPRESSAVG: 1192400 -40.8088 23.9619 -47.3928 21.9381 43.2917 9.526 -41.6238 7.5291 29.6238 TIMING: 1192400 CPU: 3767.8, 0.00321382/step Wall: 3767.8, 0.00321382/step, 3.39915 hours remaining, 233.363281 MB of memory in use. ENERGY: 1192400 3949.5996 20568.2165 14510.8594 251.9379 -203549.8540 2931.8599 0.0000 0.0000 51805.1894 -109532.1912 297.7251 -161337.3806 -109171.3884 299.1551 399.6453 428.1390 760619.1282 10.7021 10.7023 PRESSURE: 1192600 -233.862 -105.834 -137.045 -105.834 71.6647 189.961 -137.045 189.961 337.131 GPRESSURE: 1192600 -194.016 -140.219 -116.486 -137.87 85.523 211.739 -111.724 173.445 365.39 PRESSAVG: 1192600 -110.709 -14.9279 -31.3913 -14.9278 79.5283 -2.67886 -31.3913 -2.67882 -10.0898 GPRESSAVG: 1192600 -110.901 -14.2225 -30.2987 -17.7073 79.3553 -4.30117 -34.9376 -0.755005 -10.0711 TIMING: 1192600 CPU: 3768.44, 0.00316612/step Wall: 3768.44, 0.00316612/step, 3.34852 hours remaining, 233.363281 MB of memory in use. ENERGY: 1192600 4053.9985 20488.4056 14560.1768 232.1543 -203800.0938 2717.0693 0.0000 0.0000 52103.7021 -109644.5873 299.4407 -161748.2894 -109277.7820 298.8772 58.3111 85.6322 761936.2266 -13.7567 -13.8723 PRESSURE: 1192800 -65.2657 65.4088 -10.6735 65.4082 88.8815 99.38 -10.6737 99.3804 -220.479 GPRESSURE: 1192800 5.06488 74.3866 62.4115 102.609 144.06 99.9476 -50.2485 190.776 -265.736 PRESSAVG: 1192800 -30.9867 -1.3328 -6.95759 -1.3328 20.4534 13.4709 -6.95765 13.4709 -17.7573 GPRESSAVG: 1192800 -29.8399 -0.900627 -7.3554 0.231067 20.075 14.9232 -6.11569 11.9384 -18.8721 TIMING: 1192800 CPU: 3769.07, 0.00315129/step Wall: 3769.07, 0.00315129/step, 3.33267 hours remaining, 233.363281 MB of memory in use. ENERGY: 1192800 3944.8998 20466.7886 14595.4890 251.3438 -203622.7669 2642.1824 0.0000 0.0000 52159.6975 -109562.3657 299.7625 -161722.0632 -109201.4329 298.6301 -65.6210 -38.8704 760572.7569 -9.4302 -9.5457 PRESSURE: 1193000 -212.331 83.1278 108.691 83.1285 -200.509 150.145 108.692 150.144 -134.83 GPRESSURE: 1193000 -290.475 100.551 163.318 -9.33979 -3.89927 203.716 -11.7828 97.2777 -191.427 PRESSAVG: 1193000 -18.9685 3.08936 -19.353 3.08932 48.9987 13.6827 -19.3529 13.6827 -26.7585 GPRESSAVG: 1193000 -19.4638 1.47711 -18.8783 2.58098 49.8634 10.8699 -19.791 13.2334 -26.3375 TIMING: 1193000 CPU: 3769.7, 0.00315568/step Wall: 3769.7, 0.00315568/step, 3.33713 hours remaining, 233.363281 MB of memory in use. ENERGY: 1193000 4003.3744 20494.2503 14619.1550 256.0802 -203702.4696 2730.7102 0.0000 0.0000 52217.0096 -109381.8899 300.0919 -161598.8994 -109014.6137 299.0026 -182.5565 -161.9340 761582.8430 1.0906 1.3540 PRESSURE: 1193200 -298.388 63.1691 37.7753 63.1687 -350.118 -108.558 37.7744 -108.558 -468.846 GPRESSURE: 1193200 -220.004 104.894 36.7029 67.3129 -337.097 -131.96 113.31 -78.9513 -470.779 PRESSAVG: 1193200 -48.788 3.385 12.6596 3.385 6.45969 41.8497 12.6597 41.8497 30.5492 GPRESSAVG: 1193200 -49.2769 3.84459 12.0753 2.97624 6.9922 44.0169 12.0677 42.384 30.4705 TIMING: 1193200 CPU: 3770.32, 0.00313337/step Wall: 3770.32, 0.00313337/step, 3.31336 hours remaining, 233.363281 MB of memory in use. ENERGY: 1193200 3961.9479 20642.5789 14598.4079 258.5032 -203119.5902 2231.2510 0.0000 0.0000 51873.7637 -109553.1376 298.1192 -161426.9013 -109196.8822 299.2443 -372.4506 -342.6266 762882.7894 -3.9264 -3.9381 PRESSURE: 1193400 249.822 69.4892 -166.291 69.4892 -205.77 -348.307 -166.29 -348.307 -77.6055 GPRESSURE: 1193400 203.026 86.5783 -185.033 37.7507 -75.7818 -425.893 -98.3484 -324.024 -63.818 PRESSAVG: 1193400 -3.07236 16.5428 15.6558 16.5428 17.2424 -14.1024 15.6558 -14.1024 17.2113 GPRESSAVG: 1193400 -3.15696 16.3005 16.5146 17.9285 16.1581 -14.2824 18.2286 -15.5541 18.3119 TIMING: 1193400 CPU: 3770.95, 0.00313819/step Wall: 3770.95, 0.00313819/step, 3.31828 hours remaining, 233.363281 MB of memory in use. ENERGY: 1193400 4000.3604 20564.1824 14558.8031 236.1757 -203635.2723 2733.0130 0.0000 0.0000 51819.7408 -109722.9967 297.8088 -161542.7375 -109356.3423 298.9862 -11.1843 21.1420 762320.4442 10.4604 10.4377 PRESSURE: 1193600 -47.7495 120.037 -93.3452 120.037 152.727 -66.9065 -93.3443 -66.9056 147.853 GPRESSURE: 1193600 -28.3117 125.005 -105.091 52.2385 178.217 80.4151 -61.5497 -6.55977 176.037 PRESSAVG: 1193600 -32.5557 18.806 -4.47562 18.806 1.5876 50.3208 -4.47556 50.3209 -12.0962 GPRESSAVG: 1193600 -31.6491 20.127 -6.01504 18.5366 1.36616 50.8513 -4.76545 52.017 -12.9908 TIMING: 1193600 CPU: 3771.58, 0.00313622/step Wall: 3771.58, 0.00313622/step, 3.31603 hours remaining, 233.363281 MB of memory in use. ENERGY: 1193600 4067.3648 20524.7962 14449.4862 240.5988 -204212.7450 2897.7208 0.0000 0.0000 52108.0096 -109924.7685 299.4654 -162032.7781 -109564.2826 298.5670 84.2769 108.6473 759793.9761 -14.3548 -14.4246 PRESSURE: 1193800 -147.72 -204.721 243.511 -204.721 118.361 170.523 243.511 170.523 -370.401 GPRESSURE: 1193800 -118.122 -161.91 204.827 -117.622 128.57 150.56 205.356 309.322 -345.931 PRESSAVG: 1193800 26.4751 20.984 -44.9672 20.984 5.19256 3.62513 -44.9672 3.62509 10.6065 GPRESSAVG: 1193800 25.8026 20.0585 -42.8734 21.7569 5.66768 3.01146 -47.4823 5.26695 10.196 TIMING: 1193800 CPU: 3772.21, 0.00314455/step Wall: 3772.21, 0.00314455/step, 3.32466 hours remaining, 233.363281 MB of memory in use. ENERGY: 1193800 3928.0284 20420.1925 14452.3111 234.3466 -203704.4318 2739.3796 0.0000 0.0000 51911.9651 -110018.2085 298.3388 -161930.1737 -109651.1592 298.0671 -133.2533 -111.8276 761467.3674 14.0914 13.8888 PRESSURE: 1194000 -480.009 -1.11515 250.089 -1.11483 -136.351 51.8407 250.088 51.8408 176.14 GPRESSURE: 1194000 -380.463 -1.00346 211.421 46.4631 -63.3798 24.5129 118.181 170.845 80.0051 PRESSAVG: 1194000 -60.0566 -4.13228 54.5036 -4.13227 9.79707 -6.17913 54.5036 -6.17909 1.80289 GPRESSAVG: 1194000 -60.1221 -5.36722 53.0193 -5.09233 9.84383 -6.1965 56.8141 -8.69355 1.60468 TIMING: 1194000 CPU: 3772.84, 0.0031498/step Wall: 3772.84, 0.0031498/step, 3.33004 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: 1194000 3999.8022 20643.7920 14468.6913 240.4445 -203742.6380 2610.8819 0.0000 0.0000 51754.2315 -110024.7944 297.4323 -161779.0259 -109667.5812 297.9897 -146.7400 -121.2791 761738.9039 -16.1522 -16.2245 PRESSURE: 1194200 -99.9286 19.5681 -165.367 19.5676 -323.321 39.8195 -165.366 39.8186 200.821 GPRESSURE: 1194200 -88.1712 46.346 -113.11 46.2489 -250.1 89.043 -160.242 101.251 209.96 PRESSAVG: 1194200 -35.8445 28.1513 -5.8116 28.1513 92.5113 -48.9407 -5.81166 -48.9407 -17.6793 GPRESSAVG: 1194200 -35.8831 28.5759 -5.2793 32.1787 92.0925 -48.0435 -7.52524 -48.5057 -17.5796 TIMING: 1194200 CPU: 3773.46, 0.0031288/step Wall: 3773.46, 0.0031288/step, 3.30766 hours remaining, 233.363281 MB of memory in use. ENERGY: 1194200 4011.5295 20544.2829 14498.7704 234.9843 -203775.9784 2684.4721 0.0000 0.0000 51848.7931 -109953.1462 297.9757 -161801.9392 -109586.7898 298.5903 -74.1430 -42.7705 760382.2615 12.9959 12.8766 PRESSURE: 1194400 167.802 -63.4065 142.876 -63.4066 -110.529 30.0091 142.876 30.0095 -229.302 GPRESSURE: 1194400 148.651 -57.6673 95.7016 38.2492 -45.5482 40.4755 259.407 49.2108 -187.511 PRESSAVG: 1194400 8.49161 31.5523 -11.5229 31.5523 -28.7095 30.3072 -11.5229 30.3071 3.51052 GPRESSAVG: 1194400 9.21362 30.5213 -11.2204 29.537 -28.0194 30.4549 -10.8337 30.3418 1.95346 TIMING: 1194400 CPU: 3774.09, 0.0031338/step Wall: 3774.09, 0.0031338/step, 3.31277 hours remaining, 233.363281 MB of memory in use. ENERGY: 1194400 3919.8193 20420.8871 14531.2725 262.2934 -203671.9283 2757.2851 0.0000 0.0000 51933.2483 -109847.1225 298.4611 -161780.3708 -109476.5691 298.0270 -57.3430 -28.1361 762038.7745 -5.5691 -5.6174 PRESSURE: 1194600 207.581 3.57342 -41.2063 3.57334 46.2972 -0.352757 -41.2069 -0.352152 307.126 GPRESSURE: 1194600 166.723 -61.675 -34.3443 -16.5169 106.672 142.987 9.38748 -46.2116 356.406 PRESSAVG: 1194600 70.9022 -21.0492 2.12615 -21.0493 -55.0393 -37.1823 2.12608 -37.1823 -27.9546 GPRESSAVG: 1194600 70.3253 -20.6139 1.55089 -23.2933 -56.5154 -37.3714 2.68854 -37.8602 -25.9198 TIMING: 1194600 CPU: 3774.72, 0.00315381/step Wall: 3774.72, 0.00315381/step, 3.33375 hours remaining, 233.363281 MB of memory in use. ENERGY: 1194600 4018.4719 20573.1701 14516.1767 239.3576 -204143.8177 3058.7709 0.0000 0.0000 52019.0301 -109718.8404 298.9541 -161737.8705 -109358.3106 298.6368 187.0015 209.9340 760803.4233 -4.0305 -4.0366 PRESSURE: 1194800 -145.279 304.98 33.7011 304.979 -45.7888 108.535 33.7013 108.536 291.503 GPRESSURE: 1194800 -126.721 248.109 70.0467 359.69 71.3799 24.3539 117.973 150.376 247.144 PRESSAVG: 1194800 10.6471 43.8162 29.243 43.8163 33.0901 3.01529 29.243 3.01525 -18.4639 GPRESSAVG: 1194800 10.6434 44.302 29.3574 44.4238 33.6113 2.78018 29.7672 4.75787 -18.7841 TIMING: 1194800 CPU: 3775.35, 0.00313072/step Wall: 3775.35, 0.00313072/step, 3.30917 hours remaining, 233.363281 MB of memory in use. ENERGY: 1194800 3970.5612 20459.1025 14528.1998 234.9982 -203390.4998 2616.1308 0.0000 0.0000 51985.4633 -109596.0440 298.7612 -161581.5073 -109229.6968 298.8880 33.4782 63.9344 762620.8842 8.4244 8.4902 PRESSURE: 1195000 -354.434 42.8431 50.0126 42.8432 220.952 -213.558 50.0129 -213.558 15.4223 GPRESSURE: 1195000 -314.595 197.823 -54.7956 109.212 177.865 -285.055 212.679 -183.651 102.015 PRESSAVG: 1195000 21.1697 9.24982 39.0326 9.24981 -19.0998 -12.4233 39.0327 -12.4234 -26.8918 GPRESSAVG: 1195000 20.2153 8.56265 40.3731 10.6252 -18.5542 -14.0926 38.3643 -11.5708 -26.5638 TIMING: 1195000 CPU: 3775.97, 0.00313396/step Wall: 3775.97, 0.00313396/step, 3.31243 hours remaining, 233.363281 MB of memory in use. ENERGY: 1195000 4081.4323 20489.2984 14483.9317 250.9615 -203536.6074 2519.5944 0.0000 0.0000 52056.6712 -109654.7180 299.1704 -161711.3891 -109294.4261 299.1088 -39.3534 -11.5717 761343.5059 -8.2740 -8.3009 PRESSURE: 1195200 -274.394 233.54 166.53 233.541 -558.147 -112.152 166.53 -112.151 -129.906 GPRESSURE: 1195200 -229.368 165.655 154.655 243.972 -559.306 -152.684 145.022 -126.925 -76.5455 PRESSAVG: 1195200 15.3085 30.7434 16.3876 30.7434 -0.683671 -21.5915 16.3876 -21.5914 7.34296 GPRESSAVG: 1195200 14.9473 32.5864 14.9759 28.9968 -0.529244 -20.1559 17.9003 -24.4374 7.59025 TIMING: 1195200 CPU: 3776.6, 0.00315027/step Wall: 3776.6, 0.00315027/step, 3.32948 hours remaining, 233.363281 MB of memory in use. ENERGY: 1195200 4088.7481 20552.6698 14479.2635 255.9041 -203409.4228 2435.8982 0.0000 0.0000 52255.3183 -109341.6209 300.3120 -161596.9392 -108966.2653 299.4290 -320.8161 -288.4065 762761.5352 7.3226 7.3361 PRESSURE: 1195400 -269.809 45.8132 8.92391 45.8135 121.514 1.30826 8.92343 1.30862 -168.363 GPRESSURE: 1195400 -226.603 142.837 36.3884 135.512 116.653 111.627 -9.07349 104.291 -88.437 PRESSAVG: 1195400 24.4704 69.6722 8.69989 69.6722 -44.7124 -22.4359 8.69996 -22.4359 8.78531 GPRESSAVG: 1195400 25.929 67.8057 8.79374 69.2353 -45.1171 -23.7984 8.6066 -20.7911 8.13377 TIMING: 1195400 CPU: 3777.23, 0.00313447/step Wall: 3777.23, 0.00313447/step, 3.31261 hours remaining, 233.363281 MB of memory in use. ENERGY: 1195400 4009.6883 20480.5449 14523.6418 231.0712 -203071.3384 2349.2535 0.0000 0.0000 52187.9770 -109289.1617 299.9250 -161477.1387 -108923.0301 300.2653 -105.5528 -66.1289 759995.6431 -3.8189 -3.6848 PRESSURE: 1195600 -82.6122 -111.208 -2.03899 -111.208 -1.2887 -262.847 -2.03985 -262.848 -449.147 GPRESSURE: 1195600 -91.8265 -26.0656 -30.2146 -163.675 73.9372 -185.147 -18.5943 -288.472 -433.184 PRESSAVG: 1195600 -37.7935 -17.7806 -6.31173 -17.7805 59.6582 -57.1092 -6.3118 -57.1093 20.1318 GPRESSAVG: 1195600 -38.0654 -18.4999 -6.38687 -16.0706 61.3489 -56.0801 -9.1854 -56.4102 19.6519 TIMING: 1195600 CPU: 3777.86, 0.0031324/step Wall: 3777.86, 0.0031324/step, 3.31025 hours remaining, 233.363281 MB of memory in use. ENERGY: 1195600 4118.0001 20526.7200 14546.6779 255.1567 -203210.3470 2586.1098 0.0000 0.0000 51891.0774 -109286.6052 298.2187 -161177.6826 -108915.9938 299.7320 -177.6825 -150.3577 760584.9254 13.9989 14.3118 PRESSURE: 1195800 -71.0447 39.1003 165.307 39.1003 -280.43 168.779 165.307 168.78 124.215 GPRESSURE: 1195800 -10.7004 72.3022 207.07 -83.4627 -173.371 30.1481 259.599 180.64 48.9987 PRESSAVG: 1195800 -25.8389 -58.5748 27.0557 -58.5748 24.1542 16.6017 27.0557 16.6018 -9.65186 GPRESSAVG: 1195800 -25.7768 -56.5764 28.279 -58.3198 23.7002 15.3475 27.8736 16.5571 -9.6391 TIMING: 1195800 CPU: 3778.49, 0.00314678/step Wall: 3778.49, 0.00314678/step, 3.32527 hours remaining, 233.363281 MB of memory in use. ENERGY: 1195800 3956.5760 20425.2348 14516.5025 256.2242 -203295.2949 2491.3424 0.0000 0.0000 52319.0508 -109330.3641 300.6783 -161649.4149 -108952.2321 299.7203 -75.7533 -45.0243 761525.0587 -3.7789 -3.9052 PRESSURE: 1196000 -20.4124 -102.184 -47.927 -102.183 61.9367 109.895 -47.9269 109.897 -329 GPRESSURE: 1196000 -89.5028 -26.0625 -140.379 -25.5133 99.6552 107.457 0.564025 27.1362 -226.395 PRESSAVG: 1196000 -17.8275 -23.118 8.02932 -23.118 9.41684 26.1907 8.02924 26.1907 9.49437 GPRESSAVG: 1196000 -18.3007 -23.1863 7.00018 -24.3874 9.36403 27.748 8.2302 25.8915 9.91377 TIMING: 1196000 CPU: 3779.11, 0.00314314/step Wall: 3779.11, 0.00314314/step, 3.32125 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: 1196000 4011.1350 20696.5227 14544.1430 271.2095 -203365.1155 2465.2299 0.0000 0.0000 52012.5987 -109364.2767 298.9171 -161376.8754 -109007.4344 299.1404 -95.8252 -72.0809 760831.5881 0.3612 0.3257 PRESSURE: 1196200 -67.6088 162.942 32.7378 162.943 37.0125 314.833 32.7376 314.834 -281.968 GPRESSURE: 1196200 -12.5753 45.5671 30.0585 58.9822 11.5493 266.922 -6.22416 279.452 -227.999 PRESSAVG: 1196200 22.5834 6.95736 -25.9916 6.95737 31.6118 4.18824 -25.9916 4.18825 -6.90441 GPRESSAVG: 1196200 22.3551 5.78145 -24.7495 5.01356 31.5089 5.26666 -25.8548 4.97908 -7.37189 TIMING: 1196200 CPU: 3779.74, 0.00313152/step Wall: 3779.74, 0.00313152/step, 3.3088 hours remaining, 233.363281 MB of memory in use. ENERGY: 1196200 3913.7061 20484.9137 14496.2933 255.1169 -203611.1544 2629.1000 0.0000 0.0000 52249.5877 -109582.4367 300.2791 -161832.0245 -109203.6443 299.1523 -104.1880 -76.3416 760439.6886 15.7636 15.4973 LDB: ============= START OF LOAD BALANCING ============== 3792.27 LDB: ============== END OF LOAD BALANCING =============== 3792.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3792.27 LDB: ============= START OF LOAD BALANCING ============== 3792.59 LDB: Largest compute 7037 load 0.032110 is 16.4% of average load 0.195442 LDB: Average compute 0.004395 is 2.2% of average load 0.195442 LDB: TIME 3792.59 LOAD: AVG 0.195442 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.488 MB LDB: TIME 3792.6 LOAD: AVG 0.195442 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.559 MB LDB: TIME 3792.6 LOAD: AVG 0.195442 MAX 0.215368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.559 MB LDB: ============== END OF LOAD BALANCING =============== 3792.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3792.6 PRESSURE: 1196400 -267.847 -16.0725 -239.446 -16.0725 111.888 169.165 -239.447 169.166 -126.634 GPRESSURE: 1196400 -193.901 -41.1034 -273.568 10.2572 172.777 157.58 -156.655 168.652 -175.939 PRESSAVG: 1196400 39.3835 -37.2911 -14.6048 -37.2911 7.23277 50.9151 -14.6049 50.9153 7.12531 GPRESSAVG: 1196400 39.1973 -36.3816 -17.1765 -36.8852 7.70326 49.3598 -11.8093 49.4183 6.86214 TIMING: 1196400 CPU: 3780.39, 0.00322052/step Wall: 3780.39, 0.00322052/step, 3.40266 hours remaining, 233.503906 MB of memory in use. ENERGY: 1196400 4077.3374 20647.1452 14466.4333 264.0662 -203581.7105 2830.6509 0.0000 0.0000 51677.4000 -109618.6776 296.9907 -161296.0776 -109265.0313 298.8423 -94.1977 -65.6877 761412.7541 17.9139 17.9209 PRESSURE: 1196600 -101.138 42.2618 80.1497 42.2616 29.3098 -46.9105 80.1502 -46.9103 -492.225 GPRESSURE: 1196600 16.4007 18.9122 89.8813 84.405 -67.3936 -69.5516 -7.26913 18.9517 -439.994 PRESSAVG: 1196600 -32.6821 -8.35355 -38.4058 -8.3536 -24.9491 11.4574 -38.4059 11.4575 2.10503 GPRESSAVG: 1196600 -32.619 -8.77128 -36.6067 -6.6973 -25.1891 11.0815 -40.1636 11.4423 2.94199 TIMING: 1196600 CPU: 3781.02, 0.00315832/step Wall: 3781.02, 0.00315832/step, 3.33677 hours remaining, 233.574219 MB of memory in use. ENERGY: 1196600 3990.0757 20578.0736 14506.4030 239.6179 -203432.9911 2465.4006 0.0000 0.0000 52135.4639 -109517.9565 299.6232 -161653.4203 -109161.7835 298.9131 -188.0178 -163.6624 761036.4149 -18.5087 -18.2887 PRESSURE: 1196800 -20.7435 -85.7782 -86.6232 -85.7776 129.978 -15.3103 -86.6234 -15.3102 -322.381 GPRESSURE: 1196800 59.8302 -24.6184 -48.9067 -38.7039 161.378 -16.1798 -10.7878 29.5034 -347.575 PRESSAVG: 1196800 31.2271 57.0643 -0.56819 57.0642 1.38887 -19.9617 -0.568181 -19.9618 13.2573 GPRESSAVG: 1196800 31.7732 58.6601 -0.219252 57.1892 0.871626 -18.8485 -0.682277 -18.1873 12.7389 TIMING: 1196800 CPU: 3781.64, 0.00313888/step Wall: 3781.64, 0.00313888/step, 3.31605 hours remaining, 233.574219 MB of memory in use. ENERGY: 1196800 4020.3493 20621.8519 14558.2616 241.0428 -203303.5642 2478.9443 0.0000 0.0000 52009.2712 -109373.8432 298.8980 -161383.1144 -109001.9966 299.3844 -71.0489 -42.1225 760259.4048 15.2911 15.1279 PRESSURE: 1197000 -202.108 148.153 234.821 148.154 -241.28 186.332 234.821 186.332 -214.808 GPRESSURE: 1197000 -99.4985 70.5756 210.042 148.806 -295.354 253.268 93.8617 130.832 -166.588 PRESSAVG: 1197000 7.14175 23.0541 -26.5189 23.054 -7.11903 24.7467 -26.5189 24.7467 -23.7446 GPRESSAVG: 1197000 7.00065 22.3669 -28.015 23.179 -6.95401 23.6652 -27.05 24.431 -23.6677 TIMING: 1197000 CPU: 3782.27, 0.00314102/step Wall: 3782.27, 0.00314102/step, 3.31814 hours remaining, 233.574219 MB of memory in use. ENERGY: 1197000 4078.0357 20590.1957 14545.2419 235.1029 -203521.4075 2422.0485 0.0000 0.0000 52212.9670 -109437.8158 300.0686 -161650.7828 -109071.2741 299.2524 -219.3987 -187.1469 761497.9799 -7.9073 -7.8737 PRESSURE: 1197200 46.3421 -34.4483 -36.6554 -34.4494 292.979 61.9152 -36.6557 61.9165 -157.717 GPRESSURE: 1197200 69.2891 -97.7718 50.8888 5.71114 279.12 18.3848 83.6248 52.0477 -80.8986 PRESSAVG: 1197200 -2.41856 16.2262 -2.27928 16.2262 -10.6059 45.5615 -2.27931 45.5615 -16.3579 GPRESSAVG: 1197200 -1.14441 16.846 -0.069898 13.8681 -11.6135 45.6341 -1.77884 43.9033 -16.233 TIMING: 1197200 CPU: 3782.9, 0.00315658/step Wall: 3782.9, 0.00315658/step, 3.3344 hours remaining, 233.574219 MB of memory in use. ENERGY: 1197200 3992.4630 20561.9155 14484.1837 246.2571 -203725.1271 2816.5679 0.0000 0.0000 52186.6177 -109437.1223 299.9172 -161623.7400 -109069.8372 299.1479 60.5346 89.1703 761690.2101 -9.7941 -9.6637 PRESSURE: 1197400 118.189 164.516 115.353 164.516 12.0115 -46.9927 115.352 -46.9932 -234.071 GPRESSURE: 1197400 137.298 222.244 85.3877 225.369 85.9339 -33.9454 138.966 -49.9082 -236.105 PRESSAVG: 1197400 -29.1769 8.40893 16.4467 8.4089 44.0401 86.7121 16.4467 86.7121 16.5352 GPRESSAVG: 1197400 -30.0816 9.90882 13.1385 10.412 44.389 85.0574 17.1553 89.9007 17.1271 TIMING: 1197400 CPU: 3783.54, 0.00316409/step Wall: 3783.54, 0.00316409/step, 3.34216 hours remaining, 233.574219 MB of memory in use. ENERGY: 1197400 3994.4930 20469.7586 14531.1918 245.9314 -203362.0240 2418.1999 0.0000 0.0000 52243.8281 -109458.6212 300.2460 -161702.4492 -109093.0691 299.2056 -34.6235 -4.2912 761852.5913 10.4661 10.4782 PRESSURE: 1197600 -32.9439 204.118 381.451 204.118 161.491 46.0811 381.452 46.0805 512.732 GPRESSURE: 1197600 23.8255 149.06 323.654 121.585 146.325 57.6716 336.646 79.6142 548.078 PRESSAVG: 1197600 -35.6496 -4.00902 22.7494 -4.00896 56.6912 20.533 22.7495 20.533 -8.86148 GPRESSAVG: 1197600 -34.3338 -5.91736 23.5024 -3.6033 55.1118 22.6667 23.5369 17.2786 -8.91224 TIMING: 1197600 CPU: 3784.16, 0.00313901/step Wall: 3784.16, 0.00313902/step, 3.3155 hours remaining, 233.574219 MB of memory in use. ENERGY: 1197600 4038.3953 20584.2328 14533.7101 238.8051 -203360.2928 2660.2894 0.0000 0.0000 51929.7109 -109375.1492 298.4408 -161304.8601 -109007.7571 299.7209 213.7596 239.4096 761777.0887 4.0600 3.9552 PRESSURE: 1197800 34.1956 28.7673 14.2756 28.7677 209.739 117.222 14.2758 117.224 239.343 GPRESSURE: 1197800 65.5501 79.6175 -101.408 39.7996 191.604 137.639 148.422 198.046 284.845 PRESSAVG: 1197800 22.464 15.1999 21.1255 15.2 -0.179765 36.1007 21.1255 36.1007 -13.446 GPRESSAVG: 1197800 20.3848 17.0238 21.8121 13.4038 1.05379 35.898 21.2638 38.5547 -12.8123 TIMING: 1197800 CPU: 3784.79, 0.00314903/step Wall: 3784.79, 0.00314903/step, 3.3259 hours remaining, 233.574219 MB of memory in use. ENERGY: 1197800 3978.4790 20672.8624 14461.9241 244.5027 -203476.5842 2691.8164 0.0000 0.0000 52073.9563 -109353.0433 299.2697 -161426.9995 -108991.0903 299.7555 161.0925 180.6664 761789.7356 2.9461 2.8754 PRESSURE: 1198000 -119.835 -17.7316 -11.2486 -17.7317 -56.8958 108.349 -11.2486 108.349 -20.3204 GPRESSURE: 1198000 -125.746 -35.3725 2.84374 -68.7749 -58.3047 167.617 -14.1178 -7.55966 74.5735 PRESSAVG: 1198000 -21.9792 -12.4101 15.1687 -12.4101 50.482 -33.635 15.1686 -33.6351 7.22775 GPRESSAVG: 1198000 -21.7109 -14.2412 16.5402 -9.87358 50.7044 -33.3668 12.7459 -36.3349 6.66169 TIMING: 1198000 CPU: 3785.42, 0.00313698/step Wall: 3785.42, 0.00313698/step, 3.313 hours remaining, 233.574219 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: 1198000 3933.6182 20755.9652 14463.9131 232.6871 -203292.5410 2607.0855 0.0000 0.0000 52053.6474 -109245.6244 299.1530 -161299.2718 -108877.7963 299.7837 -65.6838 -36.4923 762551.2935 11.9102 11.8851 PRESSURE: 1198200 -278.491 38.6646 102.819 38.6647 -297.735 -392.306 102.819 -392.307 218.197 GPRESSURE: 1198200 -246.891 39.3448 44.232 -18.4503 -159.974 -440.927 10.278 -438.416 124.682 PRESSAVG: 1198200 -29.775 -48.7621 15.9708 -48.762 34.4608 -37.9082 15.9707 -37.9083 -2.21812 GPRESSAVG: 1198200 -30.0478 -47.5467 14.8409 -50.1337 35.2521 -39.4559 15.537 -35.8986 -2.76151 TIMING: 1198200 CPU: 3786.05, 0.00314406/step Wall: 3786.05, 0.00314406/step, 3.3203 hours remaining, 233.574219 MB of memory in use. ENERGY: 1198200 3989.4498 20626.5944 14490.9807 253.4808 -203397.0268 2602.2873 0.0000 0.0000 52024.5016 -109409.7322 298.9855 -161434.2338 -109054.6494 299.4092 -119.3428 -94.0612 761270.7995 0.8226 0.8143 PRESSURE: 1198400 -89.4372 194.502 178.468 194.502 292.523 42.7654 178.468 42.7649 41.6967 GPRESSURE: 1198400 -26.2962 63.7779 225.884 149.041 352.156 -13.8197 140.464 37.0121 16.9327 PRESSAVG: 1198400 -26.9894 26.1441 39.0831 26.1441 37.1431 12.6605 39.0831 12.6605 10.2778 GPRESSAVG: 1198400 -26.246 25.2 38.6622 26.4225 37.6668 15.4189 40.6037 12.106 8.85502 TIMING: 1198400 CPU: 3786.68, 0.00315817/step Wall: 3786.68, 0.00315817/step, 3.33503 hours remaining, 233.574219 MB of memory in use. ENERGY: 1198400 4057.4296 20558.9559 14481.0464 257.5487 -203647.5058 2733.8800 0.0000 0.0000 52028.2126 -109530.4327 299.0069 -161558.6452 -109155.9719 299.1151 81.5943 114.2641 760261.3965 6.8105 6.7586 PRESSURE: 1198600 -604.326 -247.52 -223.448 -247.52 -238.45 -133.052 -223.448 -133.051 -84.733 GPRESSURE: 1198600 -583.938 -211.464 -242.976 -287.12 -193.512 -185.341 -112.033 -44.0342 -41.1373 PRESSAVG: 1198600 -10.9303 4.15492 -16.3471 4.15487 -8.50726 -12.6324 -16.347 -12.6323 14.8925 GPRESSAVG: 1198600 -11.3072 5.03654 -15.718 3.45014 -9.46643 -14.1168 -15.5943 -12.3825 16.7944 TIMING: 1198600 CPU: 3787.31, 0.00315909/step Wall: 3787.31, 0.00315909/step, 3.33582 hours remaining, 233.574219 MB of memory in use. ENERGY: 1198600 4099.9062 20567.4550 14516.1993 255.9783 -203382.2250 2556.8153 0.0000 0.0000 51795.7118 -109590.1592 297.6707 -161385.8709 -109233.1097 298.9992 -309.1697 -272.8623 763120.3630 -1.5150 -1.3264 PRESSURE: 1198800 -659.384 -22.5807 37.7616 -22.5806 -56.548 17.3019 37.7614 17.3018 -55.7464 GPRESSURE: 1198800 -556.16 83.2515 153.396 -62.4586 -28.0689 18.2826 -29.9665 -32.5504 -101.595 PRESSAVG: 1198800 -38.9925 20.5902 -9.4353 20.5902 25.5286 53.3717 -9.43533 53.3717 23.592 GPRESSAVG: 1198800 -37.1347 19.9071 -8.33588 20.896 24.8993 54.2196 -10.0504 53.7256 21.9746 TIMING: 1198800 CPU: 3787.94, 0.00314382/step Wall: 3787.94, 0.00314382/step, 3.31952 hours remaining, 233.574219 MB of memory in use. ENERGY: 1198800 4000.1299 20591.9278 14488.0606 230.4101 -203911.2270 3015.4272 0.0000 0.0000 51947.6196 -109637.6518 298.5437 -161585.2714 -109279.8336 298.9446 -257.2261 -228.6082 764006.6095 3.3760 3.2464 PRESSURE: 1199000 329.372 9.22948 5.5415 9.23006 -224.399 40.944 5.54076 40.9442 -11.926 GPRESSURE: 1199000 203.373 -46.3021 10.9263 -23.3962 -110.523 0.710829 -42.7043 188.864 85.4907 PRESSAVG: 1199000 -14.4612 -22.0398 -41.1472 -22.0399 -32.2611 76.2146 -41.1472 76.2145 6.87337 GPRESSAVG: 1199000 -15.9577 -21.0974 -42.4319 -21.1415 -31.8551 75.4043 -41.611 78.8014 8.06276 TIMING: 1199000 CPU: 3788.57, 0.00315714/step Wall: 3788.57, 0.00315714/step, 3.33341 hours remaining, 233.574219 MB of memory in use. ENERGY: 1199000 4021.8403 20568.5396 14515.6446 271.9201 -203684.1011 2885.4996 0.0000 0.0000 51790.7960 -109629.8608 297.6424 -161420.6568 -109265.5237 298.5439 31.0156 59.4470 761045.2658 -13.2830 -13.2500 PRESSURE: 1199200 35.4798 39.8409 105.082 39.8415 -93.8542 -173.452 105.083 -173.452 -15.1138 GPRESSURE: 1199200 146.262 -31.8983 51.2555 201.546 -133.001 -191.287 107.413 -243.348 4.89912 PRESSAVG: 1199200 24.093 -28.2173 -22.3626 -28.2173 -37.3108 -27.3463 -22.3625 -27.3462 7.09055 GPRESSAVG: 1199200 24.2882 -29.3732 -22.3409 -26.9636 -37.987 -24.9329 -22.6642 -32.0222 7.11714 TIMING: 1199200 CPU: 3789.21, 0.0031655/step Wall: 3789.21, 0.0031655/step, 3.34206 hours remaining, 233.574219 MB of memory in use. ENERGY: 1199200 3933.5824 20500.5873 14534.7466 238.3753 -203384.3857 2556.3426 0.0000 0.0000 52068.1543 -109552.5972 299.2364 -161620.7515 -109191.7479 298.8632 -24.4961 6.0536 761808.5818 -2.0424 -2.1939 PRESSURE: 1199400 -247.636 71.3391 52.0402 71.3391 338.957 75.9287 52.0415 75.9272 -79.131 GPRESSURE: 1199400 -102.304 31.2201 22.9716 108.644 287.318 -34.1995 74.8156 137.227 -79.623 PRESSAVG: 1199400 -1.72278 0.180646 -16.4904 0.18064 7.99777 -72.9229 -16.4904 -72.9229 0.971722 GPRESSAVG: 1199400 -0.504936 0.580355 -15.1944 0.131246 6.34915 -75.3286 -16.355 -72.1075 1.59636 TIMING: 1199400 CPU: 3789.84, 0.00315984/step Wall: 3789.84, 0.00315984/step, 3.33591 hours remaining, 233.574219 MB of memory in use. ENERGY: 1199400 3975.7874 20673.7199 14507.8030 227.6436 -203699.5965 2756.7874 0.0000 0.0000 52064.7105 -109493.1449 299.2166 -161557.8553 -109131.4787 299.0250 4.0632 35.1305 761839.1666 2.4156 2.4802 PRESSURE: 1199600 125.126 193.409 -64.0212 193.409 -210.892 83.2225 -64.021 83.2234 46.0393 GPRESSURE: 1199600 119.599 146.55 -137.844 223.609 -134.315 131.543 36.1779 56.1357 57.0382 PRESSAVG: 1199600 62.6425 8.83448 1.1895 8.83446 -42.8185 -0.521825 1.18954 -0.521767 -31.1128 GPRESSAVG: 1199600 60.5246 9.14774 -1.27001 6.72682 -39.1704 -0.639537 3.43823 0.878005 -32.9165 TIMING: 1199600 CPU: 3790.47, 0.00316418/step Wall: 3790.47, 0.00316418/step, 3.34031 hours remaining, 233.574219 MB of memory in use. ENERGY: 1199600 4010.7611 20535.0418 14620.0832 255.1800 -203757.9907 3044.1552 0.0000 0.0000 51906.2786 -109386.4906 298.3061 -161292.7692 -109033.6685 299.4872 -13.2421 14.1073 761270.7388 -3.7629 -3.8541 PRESSURE: 1199800 -49.8504 63.7871 59.1711 63.7865 268.067 146.559 59.1707 146.559 284.716 GPRESSURE: 1199800 -47.0052 6.46794 -23.763 21.4729 247.36 154.008 -41.1678 113.06 382.609 PRESSAVG: 1199800 -11.1135 45.2093 -1.88108 45.2094 1.04432 -40.6411 -1.88118 -40.6411 -8.54624 GPRESSAVG: 1199800 -12.3034 46.2739 -1.77739 46.7147 -0.40092 -38.6962 -2.28484 -42.2082 -6.76398 TIMING: 1199800 CPU: 3791.1, 0.003134/step Wall: 3791.1, 0.003134/step, 3.30829 hours remaining, 233.574219 MB of memory in use. ENERGY: 1199800 3943.5780 20516.1783 14567.5861 230.5334 -203562.1515 2833.1546 0.0000 0.0000 52192.8238 -109278.2972 299.9529 -161471.1210 -108910.8544 299.4724 167.6443 194.3213 761639.2366 -6.2051 -6.4894 PRESSURE: 1200000 -355.692 -61.2936 -65.5864 -61.2932 -361.839 -199.042 -65.5869 -199.043 -37.7686 GPRESSURE: 1200000 -287.697 -10.7899 -23.1637 -102.402 -366.04 -122.985 -19.4061 -191.016 -24.0261 PRESSAVG: 1200000 1.52343 28.614 6.53147 28.614 9.05397 -33.0145 6.53143 -33.0144 -4.93545 GPRESSAVG: 1200000 4.61352 26.1038 8.74336 29.5159 7.5796 -34.0735 5.83834 -34.1801 -6.34321 TIMING: 1200000 CPU: 3791.73, 0.00317568/step Wall: 3791.73, 0.00317568/step, 3.35211 hours remaining, 233.574219 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: 1200000 3974.5791 20615.4832 14568.0050 221.6117 -202968.4658 2391.8485 0.0000 0.0000 52045.5345 -109151.4038 299.1064 -161196.9383 -108784.8568 299.3234 -251.7664 -225.9210 763997.9557 1.8807 1.9500 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.1.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 -5.486 78.1949 -9.83151 78.1955 83.3968 90.2702 -9.83213 90.2695 -196.223 GPRESSURE: 1200200 170.235 73.923 90.7119 110.842 -53.6591 112.588 -142.907 92.1742 -150.811 PRESSAVG: 1200200 -21.0375 -10.3243 -4.76005 -10.3243 77.4768 15.292 -4.76001 15.292 -6.32089 GPRESSAVG: 1200200 -21.2796 -9.65104 -6.65333 -10.1646 77.9099 15.0222 -4.3715 19.1115 -5.973 TIMING: 1200200 CPU: 3792.39, 0.00327518/step Wall: 3792.39, 0.00327518/step, 3.45695 hours remaining, 233.574219 MB of memory in use. ENERGY: 1200200 3979.3794 20524.2532 14493.3768 255.6554 -202968.3082 2333.6065 0.0000 0.0000 52057.4620 -109324.5748 299.1749 -161382.0368 -108964.8199 299.2327 -39.4374 -11.4117 760794.6298 16.7061 16.8858 LDB: ============= START OF LOAD BALANCING ============== 3804.92 LDB: ============== END OF LOAD BALANCING =============== 3804.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3804.92 LDB: ============= START OF LOAD BALANCING ============== 3805.24 LDB: Largest compute 7042 load 0.031288 is 16.0% of average load 0.195324 LDB: Average compute 0.004396 is 2.3% of average load 0.195324 LDB: TIME 3805.24 LOAD: AVG 0.195324 MAX 0.217457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.246 MB LDB: TIME 3805.24 LOAD: AVG 0.195324 MAX 0.217457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.449 MB LDB: TIME 3805.24 LOAD: AVG 0.195324 MAX 0.217457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.449 MB LDB: ============== END OF LOAD BALANCING =============== 3805.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3805.25 PRESSURE: 1200400 -71.7818 66.2351 153.537 66.2349 98.6101 8.15126 153.536 8.15119 105.83 GPRESSURE: 1200400 -56.2458 151.346 60.4583 74.078 137.211 -52.0751 163.154 99.8043 129.418 PRESSAVG: 1200400 -4.60947 10.9378 28.8986 10.9377 -19.9998 1.57228 28.8986 1.57233 -16.3511 GPRESSAVG: 1200400 -4.42124 11.5205 29.1173 11.7318 -20.1746 2.54511 28.261 0.346992 -16.1109 TIMING: 1200400 CPU: 3793.03, 0.00321253/step Wall: 3793.03, 0.00321253/step, 3.39064 hours remaining, 231.304688 MB of memory in use. ENERGY: 1200400 3977.4168 20537.1037 14540.2074 240.5532 -202838.6310 2312.7164 0.0000 0.0000 51765.4726 -109465.1609 297.4969 -161230.6335 -109112.5874 299.0550 44.2194 70.1276 762957.4245 -13.6534 -13.5689 PRESSURE: 1200600 54.1651 -146.454 0.156445 -146.454 33.8601 -130.594 0.155402 -130.594 104.472 GPRESSURE: 1200600 117.837 -180.164 -8.08014 -147.331 23.8197 -84.3778 -32.9173 -186.131 154.097 PRESSAVG: 1200600 -55.8004 13.1804 14.576 13.1805 65.3344 11.4826 14.576 11.4827 -7.2355 GPRESSAVG: 1200600 -55.3358 13.7411 14.5983 10.5332 64.7356 12.1667 13.8015 11.4491 -7.51606 TIMING: 1200600 CPU: 3793.66, 0.00315368/step Wall: 3793.66, 0.00315368/step, 3.32836 hours remaining, 231.304688 MB of memory in use. ENERGY: 1200600 4067.4888 20425.4717 14471.9459 246.5465 -202975.6445 2550.5746 0.0000 0.0000 51772.8611 -109440.7560 297.5393 -161213.6171 -109079.8182 298.8210 64.1656 98.5847 762514.5874 0.7662 0.6279 PRESSURE: 1200800 210.888 124.505 -202.778 124.504 152.639 -293.812 -202.777 -293.811 44.5666 GPRESSURE: 1200800 258.899 357.226 -259.24 183.368 223.01 -296.515 -150.853 -380.746 31.2581 PRESSAVG: 1200800 -22.0953 -27.1871 8.94707 -27.1871 -1.16452 -2.0929 8.94706 -2.09286 2.77967 GPRESSAVG: 1200800 -22.3462 -25.5662 8.49428 -24.9865 0.930271 -5.0855 10.5459 -1.42227 1.04126 TIMING: 1200800 CPU: 3794.29, 0.00315011/step Wall: 3794.29, 0.00315011/step, 3.32442 hours remaining, 231.507812 MB of memory in use. ENERGY: 1200800 4089.0220 20233.1009 14533.9962 234.1068 -203461.6279 2830.5874 0.0000 0.0000 51975.8733 -109564.9414 298.7061 -161540.8147 -109204.1684 298.2368 136.0313 171.0556 761472.6998 -6.8267 -6.7915 PRESSURE: 1201000 1.42235 -74.6112 -79.2012 -74.6114 -62.5252 -21.3625 -79.2016 -21.3632 149.862 GPRESSURE: 1201000 49.267 -179.805 -70.9818 -12.1844 -103.237 59.096 -58.5074 -127.415 216.533 PRESSAVG: 1201000 -3.42097 15.4666 -27.4545 15.4666 49.7172 -17.6005 -27.4544 -17.6005 30.0832 GPRESSAVG: 1201000 -3.47787 13.6938 -27.7871 13.2979 47.7153 -15.4141 -28.46 -20.184 31.4445 TIMING: 1201000 CPU: 3794.93, 0.00316266/step Wall: 3794.93, 0.00316266/step, 3.33748 hours remaining, 231.507812 MB of memory in use. ENERGY: 1201000 3868.2416 20538.9381 14476.3616 246.8063 -203220.1340 2536.9794 0.0000 0.0000 51983.2017 -109569.6054 298.7482 -161552.8071 -109207.8245 298.9047 29.5865 54.1876 761565.6110 25.4598 25.2273 PRESSURE: 1201200 53.4174 148.056 201.924 148.057 190.355 89.2614 201.924 89.2616 20.5199 GPRESSURE: 1201200 76.3024 75.2752 187.264 201.126 227.348 50.2102 172.335 101.295 50.1308 PRESSAVG: 1201200 -25.9213 -1.97454 48.8459 -1.97451 26.5834 -24.7776 48.8458 -24.7776 -4.52777 GPRESSAVG: 1201200 -27.105 -3.07985 50.9131 1.04628 27.2107 -26.0122 47.9969 -24.363 -3.86067 TIMING: 1201200 CPU: 3795.56, 0.00317771/step Wall: 3795.56, 0.00317771/step, 3.35319 hours remaining, 231.507812 MB of memory in use. ENERGY: 1201200 3983.8212 20538.5691 14488.8752 265.0036 -203828.2086 2821.1003 0.0000 0.0000 52212.2246 -109518.6147 300.0644 -161730.8393 -109173.5348 298.5710 88.0973 117.9271 761274.5532 -1.2886 -1.2517 PRESSURE: 1201400 -10.7447 54.1644 117.898 54.1645 248.887 29.5527 117.898 29.5521 59.9188 GPRESSURE: 1201400 -43.8008 53.017 70.7169 59.072 342.37 64.7625 -36.0689 39.5459 73.0474 PRESSAVG: 1201400 2.07083 53.6047 -9.04301 53.6047 41.3339 -3.67418 -9.043 -3.67425 -5.84759 GPRESSAVG: 1201400 2.59989 52.5786 -11.4496 51.6545 42.2812 -4.57632 -6.88738 -1.2237 -6.83948 TIMING: 1201400 CPU: 3796.19, 0.00316848/step Wall: 3796.19, 0.00316848/step, 3.34328 hours remaining, 231.507812 MB of memory in use. ENERGY: 1201400 3932.8842 20599.9419 14512.1030 235.9245 -203816.3887 3061.8267 0.0000 0.0000 51981.5200 -109492.1884 298.7385 -161473.7084 -109137.1132 299.2274 99.3538 123.8722 760615.5608 12.5190 12.6805 PRESSURE: 1201600 -130.667 -68.5983 90.1987 -68.5976 58.3457 70.1323 90.1987 70.1326 -141.477 GPRESSURE: 1201600 -28.6473 0.962823 128.342 -72.887 -9.40834 46.4797 21.2225 42.3077 -108.883 PRESSAVG: 1201600 -4.19442 -8.61931 -53.4421 -8.6193 11.3008 -37.6503 -53.4421 -37.6502 7.52719 GPRESSAVG: 1201600 -2.56608 -4.90105 -52.3444 -6.99551 9.98088 -36.3315 -55.9342 -40.5041 7.23557 TIMING: 1201600 CPU: 3796.83, 0.00317112/step Wall: 3796.83, 0.00317112/step, 3.34589 hours remaining, 231.507812 MB of memory in use. ENERGY: 1201600 3968.9939 20354.0517 14519.6616 241.1932 -203142.3943 2474.6955 0.0000 0.0000 52206.7143 -109377.0841 300.0327 -161583.7984 -109022.9367 299.2256 -71.2660 -48.9794 759776.2547 4.8779 4.8835 PRESSURE: 1201800 -41.3657 173.836 2.10842 173.836 -336.538 247.461 2.10862 247.462 -29.7745 GPRESSURE: 1201800 -66.8508 144.138 13.6134 106.175 -177.784 243.574 169.821 138.264 -71.4597 PRESSAVG: 1201800 -7.50036 0.699635 -64.9955 0.699651 30.4363 39.8022 -64.9955 39.8022 9.03318 GPRESSAVG: 1201800 -9.67272 -1.96797 -63.7772 1.06472 32.4695 39.5664 -65.9108 41.7183 10.0869 TIMING: 1201800 CPU: 3797.46, 0.00317115/step Wall: 3797.46, 0.00317115/step, 3.34574 hours remaining, 231.507812 MB of memory in use. ENERGY: 1201800 4067.1009 20653.3840 14463.6991 260.4480 -203202.3911 2505.5482 0.0000 0.0000 52177.3501 -109074.8610 299.8639 -161252.2110 -108722.3463 299.8105 -135.8927 -105.3648 761304.0008 10.6564 10.9612 PRESSURE: 1202000 58.7369 -64.3312 116.133 -64.3312 187.946 -90.6584 116.134 -90.6583 -507.321 GPRESSURE: 1202000 162.602 35.2876 72.5203 -25.427 93.062 -85.0716 157.154 -58.5179 -410.994 PRESSAVG: 1202000 -56.5355 -44.1685 -11.9752 -44.1685 6.70475 20.1504 -11.9752 20.1504 -6.58036 GPRESSAVG: 1202000 -54.811 -43.1882 -13.7042 -45.6254 5.80549 18.834 -10.6669 19.8544 -6.92775 TIMING: 1202000 CPU: 3798.09, 0.00315263/step Wall: 3798.09, 0.00315263/step, 3.32603 hours remaining, 231.507812 MB of memory 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 4043.8954 20551.5903 14523.7217 246.7753 -203430.3813 2685.1099 0.0000 0.0000 52055.4368 -109323.8519 299.1633 -161379.2887 -108968.8733 299.9247 -86.8793 -51.7769 760536.9823 -18.8037 -18.6444 PRESSURE: 1202200 -84.8421 -292.663 -12.7411 -292.662 139.814 -119.495 -12.7413 -119.496 -335.646 GPRESSURE: 1202200 2.9214 -339.093 -136.05 -221.604 171.742 -16.2135 -118.031 -89.4037 -362.12 PRESSAVG: 1202200 -32.7752 -45.1575 -9.23198 -45.1575 -17.6947 -50.2567 -9.23198 -50.2567 12.3065 GPRESSAVG: 1202200 -33.2151 -45.6619 -7.76619 -43.9983 -17.6384 -50.3592 -10.1308 -48.5706 12.5803 TIMING: 1202200 CPU: 3798.73, 0.0031805/step Wall: 3798.73, 0.0031805/step, 3.35525 hours remaining, 231.507812 MB of memory in use. ENERGY: 1202200 3968.4570 20548.5090 14486.7348 242.9655 -203237.2680 2489.2107 0.0000 0.0000 52300.6666 -109200.7244 300.5726 -161501.3910 -108842.1233 299.9438 -93.5583 -62.4858 761553.9219 -12.7212 -12.7577 PRESSURE: 1202400 -67.7594 -68.0893 63.7944 -68.0888 0.531979 166.144 63.7944 166.144 -121.204 GPRESSURE: 1202400 32.4395 -129.879 77.9851 6.092 10.2026 159.536 2.65176 31.4501 -149.345 PRESSAVG: 1202400 17.5406 -9.88828 11.4928 -9.88822 5.81204 15.3225 11.4928 15.3225 -6.39743 GPRESSAVG: 1202400 18.2077 -8.78037 12.4233 -9.81544 5.06929 12.8634 10.4006 15.9171 -6.62626 TIMING: 1202400 CPU: 3799.36, 0.00315265/step Wall: 3799.36, 0.00315265/step, 3.3257 hours remaining, 231.507812 MB of memory in use. ENERGY: 1202400 4032.3825 20418.5147 14551.6504 251.7289 -203160.7250 2435.0292 0.0000 0.0000 52122.8564 -109348.5629 299.5508 -161471.4192 -108988.0570 299.3587 -62.8103 -35.5675 761564.5074 5.6517 5.5502 PRESSURE: 1202600 110.018 93.5197 -129.612 93.5185 -174.82 -145.722 -129.612 -145.722 -106.653 GPRESSURE: 1202600 85.8802 118.3 -231.743 105.18 -89.2892 -193.647 -16.2162 99.757 -90.1241 PRESSAVG: 1202600 41.5161 -20.3323 36.9118 -20.3323 -36.8384 -44.4526 36.9118 -44.4525 8.26902 GPRESSAVG: 1202600 39.1966 -21.1135 37.3306 -19.0777 -34.8346 -42.755 37.4728 -44.5615 8.80702 TIMING: 1202600 CPU: 3799.99, 0.00317282/step Wall: 3799.99, 0.00317282/step, 3.34679 hours remaining, 231.507812 MB of memory in use. ENERGY: 1202600 3988.8861 20481.4462 14493.8451 247.3169 -202944.8449 2228.9824 0.0000 0.0000 52261.0228 -109243.3453 300.3448 -161504.3681 -108875.1925 299.7368 -57.1519 -31.1777 761813.5926 4.3156 4.3897 PRESSURE: 1202800 -235.602 -282.652 -15.2116 -282.652 -131.918 39.2387 -15.211 39.2383 -395.107 GPRESSURE: 1202800 -309.849 -318.75 -24.7711 -206.086 -43.0616 41.8719 -46.3166 58.3241 -306.489 PRESSAVG: 1202800 -8.30121 8.98119 0.952455 8.9812 -2.19949 25.636 0.952477 25.6361 -4.31094 GPRESSAVG: 1202800 -7.50973 7.60173 -2.87926 7.89403 -2.50455 26.9442 3.01421 22.1366 -4.67904 TIMING: 1202800 CPU: 3800.63, 0.00315605/step Wall: 3800.63, 0.00315605/step, 3.32893 hours remaining, 231.507812 MB of memory in use. ENERGY: 1202800 3968.2845 20668.1495 14538.7492 227.6080 -202654.5623 2085.8416 0.0000 0.0000 51960.4763 -109205.4532 298.6176 -161165.9294 -108846.6471 299.7091 -254.2087 -219.7999 762494.2301 -4.9372 -4.8978 PRESSURE: 1203000 -105.6 73.7159 -107.806 73.7153 200.751 -54.3416 -107.807 -54.3428 343.901 GPRESSURE: 1203000 -66.303 -65.1183 -102.134 159.592 201.117 -29.965 -61.2914 -129.902 396.988 PRESSAVG: 1203000 -39.482 -15.5413 -8.3052 -15.5413 31.6717 28.6107 -8.3052 28.6108 4.65132 GPRESSAVG: 1203000 -39.6827 -14.2327 -6.5399 -16.0197 30.8992 27.8348 -8.89436 30.3672 5.90946 TIMING: 1203000 CPU: 3801.26, 0.00316963/step Wall: 3801.26, 0.00316963/step, 3.34308 hours remaining, 231.507812 MB of memory in use. ENERGY: 1203000 3916.7057 20506.9166 14526.6980 250.0615 -202907.1598 2395.0250 0.0000 0.0000 52131.5401 -109180.2129 299.6007 -161311.7530 -108828.4174 299.6038 146.3504 177.2674 761167.0563 -1.0530 -0.9580 PRESSURE: 1203200 -84.5308 -117.174 80.9431 -117.174 -68.5088 -16.7549 80.943 -16.7532 26.7633 GPRESSURE: 1203200 -64.8309 -89.0216 23.4372 -19.8323 -42.5894 -50.9426 115.451 72.7294 53.9509 PRESSAVG: 1203200 -14.9008 -19.3018 2.92641 -19.3017 28.5072 28.4906 2.92633 28.4906 1.79638 GPRESSAVG: 1203200 -15.6206 -19.3647 2.52218 -18.5041 30.8695 29.9754 3.13048 27.3675 -0.302567 TIMING: 1203200 CPU: 3801.89, 0.00314305/step Wall: 3801.89, 0.00314305/step, 3.31487 hours remaining, 231.507812 MB of memory in use. ENERGY: 1203200 3883.6539 20496.0998 14530.5056 239.8142 -203148.5963 2496.6074 0.0000 0.0000 52024.6808 -109477.2346 298.9866 -161501.9154 -109114.2918 299.2397 -42.0921 -17.8231 760852.5697 5.1343 4.9821 PRESSURE: 1203400 -17.4727 -137.47 -96.1343 -137.47 -70.8379 -34.8112 -96.1346 -34.8117 -135.472 GPRESSURE: 1203400 92.2084 -144.535 -114.654 -99.2777 -70.193 -9.89773 -3.85243 -22.4004 -182.506 PRESSAVG: 1203400 -23.9701 -2.04933 -36.6892 -2.04944 60.7361 36.5398 -36.6892 36.5399 18.598 GPRESSAVG: 1203400 -24.2021 -1.21928 -37.1186 -4.17394 59.6908 36.5643 -35.8581 38.9063 19.4431 TIMING: 1203400 CPU: 3802.51, 0.00312655/step Wall: 3802.51, 0.00312655/step, 3.29729 hours remaining, 231.496094 MB of memory in use. ENERGY: 1203400 3967.2219 20560.3468 14454.3524 264.8019 -203230.9221 2431.9533 0.0000 0.0000 52057.7270 -109494.5189 299.1765 -161552.2459 -109131.4004 299.3370 -74.5942 -53.4970 760071.5123 18.4547 18.3106 PRESSURE: 1203600 -47.5108 21.6374 -108.305 21.6383 1.22928 -236.489 -108.305 -236.488 -232.244 GPRESSURE: 1203600 11.7883 14.6693 -110.275 -79.7162 33.7428 -243.541 -125.028 -193.031 -229.799 PRESSAVG: 1203600 -8.63019 -44.0494 4.85316 -44.0494 47.4868 -36.1898 4.85319 -36.1898 1.77203 GPRESSAVG: 1203600 -8.22434 -46.0357 6.48454 -41.9073 47.4288 -35.9029 2.90744 -37.0229 1.89673 TIMING: 1203600 CPU: 3803.14, 0.00315489/step Wall: 3803.14, 0.00315489/step, 3.327 hours remaining, 231.496094 MB of memory in use. ENERGY: 1203600 3984.7525 20740.9750 14405.4512 233.5691 -203018.7830 2328.9735 0.0000 0.0000 51826.1693 -109498.8923 297.8457 -161325.0616 -109146.6020 299.1201 -92.8420 -61.4226 761498.0490 13.5429 13.7004 PRESSURE: 1203800 7.82231 48.3481 -142.504 48.3472 125.423 252.807 -142.504 252.807 243.63 GPRESSURE: 1203800 65.7382 52.1672 -147.716 102.83 139.156 198.848 -257.249 229.096 268.454 PRESSAVG: 1203800 27.0942 -2.04053 19.988 -2.04054 -6.17655 -85.2384 19.988 -85.2384 8.48848 GPRESSAVG: 1203800 27.137 -1.77612 19.9519 -2.29172 -7.00972 -85.8713 21.1059 -86.0383 9.13096 TIMING: 1203800 CPU: 3803.78, 0.00315764/step Wall: 3803.78, 0.00315764/step, 3.32973 hours remaining, 231.496094 MB of memory in use. ENERGY: 1203800 3923.6177 20424.7877 14350.3256 255.6006 -203042.7419 2386.7146 0.0000 0.0000 52178.8090 -109522.8867 299.8723 -161701.6957 -109161.4459 299.2277 125.6250 157.7827 762175.4445 9.8020 9.7528 PRESSURE: 1204000 -55.3052 67.6435 296.924 67.6432 210.937 47.2586 296.923 47.2585 -275.171 GPRESSURE: 1204000 72.248 81.2979 315.825 -104.658 126.193 72.5967 319.525 -9.16801 -240.024 PRESSAVG: 1204000 21.3686 8.5007 -45.281 8.50068 0.725163 -11.8013 -45.2809 -11.8014 -9.29879 GPRESSAVG: 1204000 20.5643 12.3063 -46.4821 5.9639 1.11756 -12.3766 -46.0263 -10.9247 -9.54312 TIMING: 1204000 CPU: 3804.41, 0.00316136/step Wall: 3804.41, 0.00316136/step, 3.33347 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: 1204000 4031.1607 20545.5716 14454.1364 272.2418 -203219.0807 2455.3426 0.0000 0.0000 52025.5748 -109435.0528 298.9917 -161460.6275 -109079.7993 298.7692 -39.8462 -13.8607 763388.8773 4.2650 4.0462 PRESSURE: 1204200 173.669 -155.862 27.6608 -155.863 107.458 57.4703 27.6626 57.4695 5.51333 GPRESSURE: 1204200 169.166 -190.175 -18.5001 -83.281 123.45 102.037 -92.5126 131.024 96.5464 PRESSAVG: 1204200 -41.8109 40.1729 -2.86747 40.173 48.9898 7.50583 -2.86748 7.50588 -24.8117 GPRESSAVG: 1204200 -40.9501 35.8235 -3.6142 44.0307 48.4412 7.74913 -1.96862 7.9362 -25.2561 TIMING: 1204200 CPU: 3805.04, 0.00314326/step Wall: 3805.04, 0.00314326/step, 3.31422 hours remaining, 231.496094 MB of memory in use. ENERGY: 1204200 3993.9106 20370.7285 14498.0545 267.4050 -203315.8625 2631.5961 0.0000 0.0000 51930.7617 -109623.4061 298.4468 -161554.1678 -109258.5456 298.6723 95.5470 129.7211 761990.7226 -5.8776 -5.9217 LDB: ============= START OF LOAD BALANCING ============== 3817.57 LDB: ============== END OF LOAD BALANCING =============== 3817.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3817.57 LDB: ============= START OF LOAD BALANCING ============== 3817.88 LDB: Largest compute 7059 load 0.030613 is 15.7% of average load 0.195341 LDB: Average compute 0.004399 is 2.3% of average load 0.195341 LDB: TIME 3817.89 LOAD: AVG 0.195341 MAX 0.214012 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.551 MB LDB: TIME 3817.89 LOAD: AVG 0.195341 MAX 0.214012 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.758 MB LDB: TIME 3817.89 LOAD: AVG 0.195341 MAX 0.214012 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.758 MB LDB: ============== END OF LOAD BALANCING =============== 3817.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3817.9 PRESSURE: 1204400 113.939 34.1668 -1.57771 34.166 55.0076 99.1682 -1.57783 99.1678 277.604 GPRESSURE: 1204400 39.0448 1.98376 35.8594 -72.3886 204.405 82.8385 -48.2332 54.1656 280.166 PRESSAVG: 1204400 30.2661 35.9117 10.3947 35.9117 -41.613 -1.0043 10.3947 -1.00429 32.0843 GPRESSAVG: 1204400 28.8744 36.9138 11.8536 34.7504 -40.5333 -0.230816 7.68376 -2.1606 32.3139 TIMING: 1204400 CPU: 3805.68, 0.00320876/step Wall: 3805.68, 0.00320875/step, 3.3831 hours remaining, 233.039062 MB of memory in use. ENERGY: 1204400 3974.4953 20527.0010 14489.8247 262.4643 -203951.4631 3015.2587 0.0000 0.0000 52074.0605 -109608.3586 299.2703 -161682.4191 -109251.1618 298.3497 148.8499 174.5384 761908.9872 6.9125 6.8850 PRESSURE: 1204600 256.253 38.5885 -5.48492 38.5894 -295.264 -240.562 -5.48504 -240.561 81.761 GPRESSURE: 1204600 294.457 16.548 -7.7343 14.8177 -262.632 -309.016 37.1096 -250.333 96.4134 PRESSAVG: 1204600 -19.6944 -13.7857 29.7567 -13.7857 19.4797 -30.0772 29.7567 -30.0773 8.60855 GPRESSAVG: 1204600 -17.7124 -12.847 28.457 -15.6197 18.1026 -29.9385 30.6651 -31.2087 8.28325 TIMING: 1204600 CPU: 3806.31, 0.00314364/step Wall: 3806.31, 0.00314364/step, 3.31427 hours remaining, 233.109375 MB of memory in use. ENERGY: 1204600 3946.4214 20521.2183 14441.1062 262.6766 -203839.9985 2990.1375 0.0000 0.0000 51961.4510 -109716.9875 298.6232 -161678.4385 -109352.5610 298.8914 14.2500 42.7462 761611.9305 2.7980 2.8911 PRESSURE: 1204800 165.994 -169.649 66.8008 -169.649 -56.1871 -83.8095 66.8014 -83.8084 324.495 GPRESSURE: 1204800 260.668 -308.653 86.3336 -157.215 -57.8935 -104.989 184.556 3.16812 305.246 PRESSAVG: 1204800 43.9842 20.8052 6.12927 20.8052 -20.6115 14.9514 6.12922 14.9516 4.32177 GPRESSAVG: 1204800 43.57 18.1431 6.91693 21.4696 -20.0551 15.502 6.35635 15.3514 4.56742 TIMING: 1204800 CPU: 3806.94, 0.00317098/step Wall: 3806.94, 0.00317098/step, 3.34292 hours remaining, 233.109375 MB of memory in use. ENERGY: 1204800 3998.0986 20551.0246 14491.8821 221.1221 -203531.2707 2710.6722 0.0000 0.0000 51977.4433 -109581.0277 298.7151 -161558.4709 -109226.0765 298.7555 144.7671 169.3400 761483.8710 9.2315 9.3608 PRESSURE: 1205000 44.0418 215.747 -43.3293 215.748 -454.838 -168.515 -43.3292 -168.515 -458.925 GPRESSURE: 1205000 44.8658 240.062 76.9794 39.4213 -298.034 -263.792 -111.571 -100.071 -514.608 PRESSAVG: 1205000 -41.8805 20.4667 70.2288 20.4666 3.47694 47.3345 70.2288 47.3346 4.83617 GPRESSAVG: 1205000 -42.2988 22.2031 70.5153 20.2478 4.68208 45.2674 70.3292 47.355 4.32518 TIMING: 1205000 CPU: 3807.57, 0.0031453/step Wall: 3807.57, 0.0031453/step, 3.31567 hours remaining, 233.109375 MB of memory in use. ENERGY: 1205000 4051.5433 20539.9286 14420.3256 246.7409 -203122.9590 2566.0954 0.0000 0.0000 51953.5536 -109344.7717 298.5778 -161298.3253 -108982.8506 298.9376 -289.9071 -255.9257 761920.7561 -11.1891 -11.0972 PRESSURE: 1205200 -191.572 185.598 335.835 185.598 17.7752 -32.9554 335.833 -32.9562 -308.791 GPRESSURE: 1205200 -209.944 17.1074 321.716 269.144 79.4974 -112.876 224.883 -78.2936 -261.507 PRESSAVG: 1205200 -27.0614 -11.0592 -10.1397 -11.0592 26.604 -51.7666 -10.1397 -51.7666 -9.79515 GPRESSAVG: 1205200 -28.1954 -10.6699 -12.3453 -11.4408 26.543 -51.6664 -11.0951 -51.373 -8.4532 TIMING: 1205200 CPU: 3808.2, 0.00316189/step Wall: 3808.2, 0.00316189/step, 3.33299 hours remaining, 233.109375 MB of memory in use. ENERGY: 1205200 4004.7176 20595.7904 14418.9609 226.3432 -203033.3953 2395.8271 0.0000 0.0000 52030.1596 -109361.5966 299.0180 -161391.7561 -108997.4170 299.3401 -160.8627 -130.6513 763238.5261 -3.4175 -3.3685 PRESSURE: 1205400 -84.1549 50.0526 -197.003 50.0525 -51.8412 125.342 -197.003 125.342 156.743 GPRESSURE: 1205400 -59.9413 99.349 -150.572 -68.5276 -16.1842 149.075 -202.362 155.539 172.555 PRESSAVG: 1205400 -60.3345 -16.307 6.94621 -16.307 69.4075 -43.5799 6.94618 -43.5798 -12.0281 GPRESSAVG: 1205400 -59.8265 -16.335 8.30888 -15.5139 70.1511 -43.3084 7.8046 -41.9197 -12.756 TIMING: 1205400 CPU: 3808.84, 0.00317357/step Wall: 3808.84, 0.00317357/step, 3.34512 hours remaining, 233.109375 MB of memory in use. ENERGY: 1205400 3945.1304 20559.0923 14508.2180 246.4112 -203043.9840 2461.9502 0.0000 0.0000 51845.9630 -109477.2189 297.9595 -161323.1819 -109116.2968 299.2770 6.9157 32.1432 761216.5944 -0.9850 -0.8105 PRESSURE: 1205600 -49.9805 49.7132 58.8297 49.7129 227.059 -107.474 58.8305 -107.474 114.838 GPRESSURE: 1205600 -41.6706 17.6514 41.9145 97.394 275.446 -110.589 33.5524 -59.6249 134.83 PRESSAVG: 1205600 -33.5423 20.6677 -0.255392 20.6677 -12.093 1.39141 -0.255442 1.39137 2.67825 GPRESSAVG: 1205600 -33.1783 20.4283 -2.37533 20.6709 -13.2276 1.58191 1.47305 1.00941 3.19398 TIMING: 1205600 CPU: 3809.47, 0.00316866/step Wall: 3809.47, 0.00316866/step, 3.33977 hours remaining, 233.109375 MB of memory in use. ENERGY: 1205600 3887.7882 20648.0222 14573.4212 255.9506 -202993.7280 2361.7767 0.0000 0.0000 52126.3555 -109140.4135 299.5709 -161266.7691 -108774.3553 299.2239 97.3055 122.8687 761485.8478 -14.3190 -14.4040 PRESSURE: 1205800 -37.2371 119.175 -42.8506 119.174 -58.9737 137.775 -42.8501 137.775 -141.673 GPRESSURE: 1205800 110.107 6.84025 -22.1259 78.5802 -54.9587 157.192 -224.082 39.8503 -196.416 PRESSAVG: 1205800 53.582 -27.4493 23.9906 -27.4493 -51.9999 2.91276 23.9906 2.91288 -24.5795 GPRESSAVG: 1205800 53.0608 -27.3425 25.8695 -27.8419 -51.4395 3.77122 22.1497 1.14107 -24.259 TIMING: 1205800 CPU: 3810.1, 0.00315015/step Wall: 3810.1, 0.00315015/step, 3.32009 hours remaining, 233.109375 MB of memory in use. ENERGY: 1205800 3986.5660 20565.2699 14508.3210 241.5445 -203432.6592 2707.7458 0.0000 0.0000 52141.6026 -109281.6095 299.6585 -161423.2121 -108919.5723 299.3695 -79.2944 -47.0893 762684.3557 -7.6658 -7.5459 PRESSURE: 1206000 230.35 -53.6366 60.712 -53.6366 -145.425 -60.6603 60.7115 -60.6605 -27.6131 GPRESSURE: 1206000 290.659 -17.7211 126.21 -13.3084 -100.436 30.0378 110.762 -23.7894 -31.3319 PRESSAVG: 1206000 14.2724 4.34696 -46.4585 4.34704 -35.7735 -9.54862 -46.4585 -9.54875 -10.4499 GPRESSAVG: 1206000 15.5416 3.46319 -45.3735 6.18397 -36.4866 -11.3552 -48.2589 -7.12871 -10.9818 TIMING: 1206000 CPU: 3810.73, 0.00314908/step Wall: 3810.73, 0.00314908/step, 3.31878 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: 1206000 3903.4133 20481.7213 14581.5362 247.1205 -203219.9049 2717.1146 0.0000 0.0000 51917.4747 -109371.5242 298.3704 -161288.9989 -109006.1550 299.1111 19.1038 52.9640 762528.6659 -10.6503 -10.6423 PRESSURE: 1206200 78.7844 -55.5322 90.6104 -55.5328 371.485 95.9394 90.6101 95.9402 13.7563 GPRESSURE: 1206200 112.129 -47.5957 -32.7599 17.8367 376.766 95.0728 162.783 105.791 76.4784 PRESSAVG: 1206200 57.475 -14.043 -26.9255 -14.043 -48.7568 15.9396 -26.9255 15.9395 -19.4148 GPRESSAVG: 1206200 57.1078 -13.8539 -28.5079 -15.0106 -48.096 17.0284 -27.2486 16.0779 -19.3544 TIMING: 1206200 CPU: 3811.36, 0.00314879/step Wall: 3811.36, 0.00314879/step, 3.3183 hours remaining, 233.109375 MB of memory in use. ENERGY: 1206200 4007.2132 20493.3855 14463.6756 251.2967 -203476.2960 2762.8474 0.0000 0.0000 52043.9000 -109453.9777 299.0970 -161497.8777 -109097.3873 298.9117 154.6751 188.4577 761308.0166 -3.5655 -3.4475 PRESSURE: 1206400 191.776 -50.5943 -45.6323 -50.594 -210.709 -213.941 -45.6318 -213.942 -5.48052 GPRESSURE: 1206400 225.521 -46.3218 -42.3486 -21.3676 -201.157 -225.769 -72.3553 -174.449 31.613 PRESSAVG: 1206400 -17.2837 32.2588 -19.3937 32.2588 -2.26361 -42.2377 -19.3937 -42.2378 5.4105 GPRESSAVG: 1206400 -16.5279 30.8468 -19.1078 31.8796 -2.02801 -43.6371 -17.5058 -43.2961 3.73963 TIMING: 1206400 CPU: 3811.99, 0.00315863/step Wall: 3811.99, 0.00315863/step, 3.3285 hours remaining, 233.324219 MB of memory in use. ENERGY: 1206400 3929.7817 20744.6968 14475.5003 244.9875 -202828.7892 2304.6688 0.0000 0.0000 51921.1668 -109207.9874 298.3917 -161129.1542 -108846.4565 299.4620 -8.1378 18.6590 760470.9894 -4.7123 -4.9388 PRESSURE: 1206600 -166.995 -126.652 -91.2929 -126.652 59.9663 92.766 -91.2927 92.7662 120.459 GPRESSURE: 1206600 -174.881 -60.0547 -125.868 -72.187 119.62 49.0075 54.6533 12.2529 153.842 PRESSAVG: 1206600 41.1335 -3.52444 21.2637 -3.52448 -29.3173 -62.8502 21.2638 -62.8502 23.3531 GPRESSAVG: 1206600 40.4278 -4.06394 22.4213 -2.95957 -28.5467 -61.4119 20.8103 -62.1651 23.5796 TIMING: 1206600 CPU: 3812.63, 0.00316306/step Wall: 3812.63, 0.00316306/step, 3.33299 hours remaining, 233.324219 MB of memory in use. ENERGY: 1206600 3889.3278 20569.7925 14483.6314 242.4777 -203098.1365 2575.4557 0.0000 0.0000 52136.9800 -109200.4714 299.6319 -161337.4514 -108837.6935 299.6632 4.4768 32.8602 761320.6485 11.7231 11.8202 PRESSURE: 1206800 99.7363 80.5449 8.60973 80.5451 -82.2283 25.3722 8.60981 25.3717 -195.59 GPRESSURE: 1206800 124.489 59.4937 14.533 196.775 -59.6099 -14.1631 -38.4559 -11.2843 -151.186 PRESSAVG: 1206800 -31.0038 8.85327 -1.53257 8.85318 4.0041 17.5005 -1.53257 17.5006 18.8948 GPRESSAVG: 1206800 -30.078 11.3383 -2.74067 10.2819 2.86059 15.5038 -1.89611 19.1549 18.6818 TIMING: 1206800 CPU: 3813.26, 0.00315718/step Wall: 3813.26, 0.00315718/step, 3.32662 hours remaining, 233.324219 MB of memory in use. ENERGY: 1206800 3965.6456 20549.2850 14466.4828 234.3771 -203142.5177 2448.6579 0.0000 0.0000 52149.2669 -109328.8023 299.7026 -161478.0692 -108971.8532 299.5737 -59.3606 -28.7688 761588.7911 -2.7016 -2.8452 PRESSURE: 1207000 -0.400051 -78.6905 263.524 -78.6903 -140.222 6.76568 263.524 6.76525 -359.968 GPRESSURE: 1207000 97.0133 14.0662 280.798 -61.8673 -143.072 8.92391 111.046 -36.2428 -376.282 PRESSAVG: 1207000 32.0941 2.6334 -10.3692 2.63342 4.91855 12.3165 -10.3692 12.3165 -12.0352 GPRESSAVG: 1207000 31.3936 2.85038 -10.6536 1.77576 4.9737 15.0003 -10.1376 9.7395 -11.2391 TIMING: 1207000 CPU: 3813.89, 0.00314123/step Wall: 3813.89, 0.00314123/step, 3.30963 hours remaining, 233.324219 MB of memory in use. ENERGY: 1207000 3990.2121 20470.4463 14453.9358 242.2491 -203343.4364 2474.6200 0.0000 0.0000 52279.6910 -109432.2821 300.4521 -161711.9731 -109068.6971 299.4957 -166.8632 -140.7802 760990.8218 8.3258 8.3761 PRESSURE: 1207200 -184.81 106.964 -18.4498 106.964 -148.918 -252.229 -18.4502 -252.228 -120.621 GPRESSURE: 1207200 -134.579 138.27 5.91329 58.8318 -190.296 -206.177 -7.45741 -188.027 -29.6412 PRESSAVG: 1207200 59.115 42.0468 78.3151 42.0468 -30.1597 37.1846 78.3151 37.1846 26.0995 GPRESSAVG: 1207200 58.8345 42.0239 80.1497 39.9133 -30.0994 36.038 76.3268 37.4235 26.3079 TIMING: 1207200 CPU: 3814.51, 0.00314274/step Wall: 3814.51, 0.00314274/step, 3.31105 hours remaining, 233.324219 MB of memory in use. ENERGY: 1207200 3929.0626 20494.7459 14429.7836 244.4404 -203099.2968 2468.5137 0.0000 0.0000 52057.1709 -109475.5798 299.1733 -161532.7507 -109112.8957 299.3592 -151.4500 -118.1721 759329.5243 18.3516 18.3477 PRESSURE: 1207400 26.9311 -173.145 -112.727 -173.144 -56.5264 34.2174 -112.727 34.2166 -225.246 GPRESSURE: 1207400 78.2799 -172.533 -142.46 59.7121 -40.6656 44.769 119.384 0.720114 -176.265 PRESSAVG: 1207400 22.0791 -0.694748 19.0185 -0.694757 7.20914 -29.9687 19.0186 -29.9686 -15.1775 GPRESSAVG: 1207400 21.8175 -0.243172 18.6329 0.0474286 7.51806 -27.8798 21.7437 -32.2741 -15.4173 TIMING: 1207400 CPU: 3815.14, 0.00314008/step Wall: 3815.14, 0.00314008/step, 3.30807 hours remaining, 233.324219 MB of memory in use. ENERGY: 1207400 4037.6452 20634.8000 14530.7563 239.2005 -203396.1181 2556.0285 0.0000 0.0000 52190.2689 -109207.4186 299.9382 -161397.6876 -108850.4443 299.4560 -84.9471 -46.2170 759410.5258 4.7036 4.6394 PRESSURE: 1207600 -526.074 65.8218 -21.7914 65.8215 -316.332 -75.2055 -21.7912 -75.2058 12.8005 GPRESSURE: 1207600 -446.948 2.60635 44.587 60.7465 -295.371 -73.0249 -52.5341 58.952 16.6195 PRESSAVG: 1207600 -1.57473 15.4372 41.6557 15.4373 35.9179 8.61309 41.6557 8.61307 14.1413 GPRESSAVG: 1207600 -0.340685 14.3847 41.8717 14.7462 35.0993 6.26517 40.5544 12.7324 13.6202 TIMING: 1207600 CPU: 3815.77, 0.00315655/step Wall: 3815.77, 0.00315655/step, 3.32525 hours remaining, 233.324219 MB of memory in use. ENERGY: 1207600 3932.2707 20796.7842 14531.9462 241.7353 -202998.2062 2370.5733 0.0000 0.0000 52171.4719 -108953.4246 299.8302 -161124.8965 -108591.2585 299.9402 -276.5350 -241.8996 760612.2058 16.1615 16.1263 PRESSURE: 1207800 -286.319 -173.826 8.79228 -173.826 42.3907 -53.578 8.79245 -53.5787 -104.45 GPRESSURE: 1207800 -193.386 -134.992 -60.3483 -125.207 -45.0066 -47.0224 17.9536 17.4556 -32.8465 PRESSAVG: 1207800 -0.696329 -50.732 -4.65566 -50.732 13.1067 -5.21941 -4.65564 -5.21932 17.0677 GPRESSAVG: 1207800 -0.352028 -51.6396 -5.29732 -48.8464 12.5818 -5.85708 -4.69198 -7.67687 17.8218 TIMING: 1207800 CPU: 3816.41, 0.0031628/step Wall: 3816.41, 0.0031628/step, 3.33166 hours remaining, 233.324219 MB of memory in use. ENERGY: 1207800 3990.3022 20622.8866 14523.5180 244.2645 -202925.4181 2303.3312 0.0000 0.0000 52180.2863 -109060.8293 299.8808 -161241.1156 -108696.7857 300.8051 -116.1258 -90.4131 761934.8540 9.8260 10.0172 PRESSURE: 1208000 -54.3961 193.283 -22.6786 193.283 -170.009 -49.3549 -22.6789 -49.3546 -193.95 GPRESSURE: 1208000 57.1325 129.229 -134.95 93.8252 -205.352 57.1652 -49.0251 -112.498 -187.516 PRESSAVG: 1208000 39.14 37.3952 -52.74 37.3953 7.22595 -21.7643 -52.7401 -21.7643 5.96 GPRESSAVG: 1208000 38.2943 39.5763 -53.7077 33.9348 8.52149 -18.8669 -53.5675 -21.9881 5.5758 TIMING: 1208000 CPU: 3817.03, 0.0031445/step Wall: 3817.03, 0.0031445/step, 3.31221 hours remaining, 233.324219 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: 1208000 3997.4658 20662.2773 14484.3228 243.7657 -203008.6611 2493.9843 0.0000 0.0000 52136.7411 -108990.1039 299.6306 -161126.8451 -108625.6799 300.7542 -139.4516 -111.9118 762014.5963 17.4420 17.4639 PRESSURE: 1208200 205.568 132.425 -37.7728 132.425 128.385 -35.9128 -37.7729 -35.9127 7.18706 GPRESSURE: 1208200 297.961 56.1145 -47.2395 176.82 235.156 -47.3875 5.99447 -56.5568 -107.069 PRESSAVG: 1208200 26.5015 16.8218 33.1164 16.8218 -34.3657 12.5428 33.1164 12.5428 11.0018 GPRESSAVG: 1208200 26.8206 16.1272 34.358 20.0103 -34.4508 11.5525 30.7051 14.238 10.8511 TIMING: 1208200 CPU: 3817.66, 0.00315239/step Wall: 3817.66, 0.00315239/step, 3.32034 hours remaining, 233.324219 MB of memory in use. ENERGY: 1208200 4015.0525 20551.1527 14531.1085 239.0124 -203199.5526 2614.6138 0.0000 0.0000 52299.6592 -108948.9534 300.5669 -161248.6126 -108587.7033 300.2307 113.7134 142.0160 760933.5169 1.0459 1.0737 LDB: ============= START OF LOAD BALANCING ============== 3830.2 LDB: ============== END OF LOAD BALANCING =============== 3830.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3830.2 LDB: ============= START OF LOAD BALANCING ============== 3830.51 LDB: Largest compute 7042 load 0.030097 is 15.4% of average load 0.195359 LDB: Average compute 0.004389 is 2.2% of average load 0.195359 LDB: TIME 3830.52 LOAD: AVG 0.195359 MAX 0.217924 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.145 MB LDB: TIME 3830.52 LOAD: AVG 0.195359 MAX 0.217924 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: TIME 3830.52 LOAD: AVG 0.195359 MAX 0.217924 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.348 MB LDB: ============== END OF LOAD BALANCING =============== 3830.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3830.53 PRESSURE: 1208400 -254.049 54.6936 -152.77 54.6936 -138.236 194.376 -152.77 194.375 -57.998 GPRESSURE: 1208400 -180.103 100.208 -44.6447 43.8003 -127.406 252.264 -187.159 153.275 -65.407 PRESSAVG: 1208400 24.419 11.4807 -23.3945 11.4807 -18.0739 -20.4566 -23.3945 -20.4565 -20.0287 GPRESSAVG: 1208400 23.7524 11.3848 -23.0015 9.49374 -18.0721 -20.6046 -21.3256 -21.164 -19.7598 TIMING: 1208400 CPU: 3818.31, 0.00321746/step Wall: 3818.31, 0.00321745/step, 3.38869 hours remaining, 234.589844 MB of memory in use. ENERGY: 1208400 4018.6266 20409.6982 14458.8545 231.5726 -203296.5484 2578.8708 0.0000 0.0000 52197.0065 -109401.9192 299.9769 -161598.9257 -109029.8482 299.7023 -150.0943 -124.3053 761178.3689 -4.5612 -4.6931 PRESSURE: 1208600 -183.219 -56.4714 -255.21 -56.4709 18.6945 -8.53594 -255.209 -8.53573 66.1068 GPRESSURE: 1208600 -33.1756 -59.0927 -206.159 33.5717 -4.62182 85.7569 -208.454 -129.124 38.0273 PRESSAVG: 1208600 -86.8316 -0.429511 -43.9662 -0.429488 18.2341 24.5909 -43.9663 24.5909 -14.4062 GPRESSAVG: 1208600 -87.1196 0.553913 -45.5749 -0.419487 18.7671 23.1244 -44.2693 26.3554 -14.1819 TIMING: 1208600 CPU: 3818.94, 0.00317139/step Wall: 3818.94, 0.00317139/step, 3.34001 hours remaining, 234.996094 MB of memory in use. ENERGY: 1208600 4093.3992 20533.0170 14439.8407 255.0799 -203218.8841 2601.9244 0.0000 0.0000 51796.9643 -109498.6587 297.6779 -161295.6229 -109131.5991 298.7704 -32.8061 0.0766 763549.3119 -27.6679 -27.5115 PRESSURE: 1208800 -183.603 310.89 -4.24826 310.89 -396.73 206.133 -4.2486 206.132 -252.549 GPRESSURE: 1208800 -231.705 184.231 -80.9232 276.864 -367.697 81.4918 128.626 96.2403 -146.821 PRESSAVG: 1208800 58.5927 -0.540838 -47.8233 -0.540817 -4.00788 29.5756 -47.8233 29.5757 -12.5253 GPRESSAVG: 1208800 59.3818 -1.11019 -45.9172 0.693362 -4.30992 30.3101 -46.2746 26.8423 -13.1968 TIMING: 1208800 CPU: 3819.58, 0.00316425/step Wall: 3819.58, 0.00316425/step, 3.33231 hours remaining, 234.996094 MB of memory in use. ENERGY: 1208800 3980.1599 20557.0656 14543.8916 253.2799 -203417.3156 2513.1320 0.0000 0.0000 52151.1250 -109418.6616 299.7132 -161569.7866 -109057.1592 298.7073 -277.6275 -248.7407 762105.9248 14.0198 13.9584 PRESSURE: 1209000 141.67 -143.79 118.411 -143.789 116.645 -164.831 118.411 -164.831 -250.701 GPRESSURE: 1209000 109.669 -53.9837 134.994 -110.615 81.0935 -167.652 141.27 -133.041 -98.6573 PRESSAVG: 1209000 -33.6525 6.69844 42.6719 6.69845 3.55206 -27.1174 42.6719 -27.1174 -3.50449 GPRESSAVG: 1209000 -32.784 6.64011 41.6451 4.44124 2.35077 -27.4168 43.5851 -25.8219 -3.32157 TIMING: 1209000 CPU: 3820.2, 0.00314469/step Wall: 3820.2, 0.00314469/step, 3.31153 hours remaining, 234.996094 MB of memory in use. ENERGY: 1209000 4015.1663 20653.0276 14526.0536 268.1960 -203326.4968 2766.9303 0.0000 0.0000 51870.8796 -109226.2433 298.1027 -161097.1230 -108859.5513 299.4638 2.5378 30.7017 762245.4340 -11.2017 -11.2516 PRESSURE: 1209200 45.3589 -52.1807 -107.69 -52.1812 -358.79 -99.1673 -107.69 -99.1671 142.196 GPRESSURE: 1209200 23.2037 19.0278 -96.8241 -69.7239 -230.388 -28.7839 -154.769 -39.1373 123.793 PRESSAVG: 1209200 7.41036 9.16592 -13.6113 9.1659 -13.1072 45.7221 -13.6113 45.7222 0.909053 GPRESSAVG: 1209200 6.0378 10.0288 -13.3937 12.5199 -12.325 46.7999 -13.8974 45.9503 0.971224 TIMING: 1209200 CPU: 3820.84, 0.00315744/step Wall: 3820.84, 0.00315744/step, 3.32479 hours remaining, 234.996094 MB of memory in use. ENERGY: 1209200 3955.6672 20379.2861 14462.0417 243.6066 -202917.8694 2513.8998 0.0000 0.0000 51991.3177 -109372.0503 298.7948 -161363.3680 -109003.9626 298.9506 -57.0782 -27.7970 762636.2075 -1.5959 -1.7720 PRESSURE: 1209400 -236.092 21.7451 -65.3525 21.7442 -174.366 -18.7288 -65.3523 -18.7293 -256.651 GPRESSURE: 1209400 -166.315 14.1413 -97.8528 8.0693 -109.267 -77.0074 -17.8802 -76.6657 -298.37 PRESSAVG: 1209400 42.6865 64.8816 -15.6371 64.8816 -23.069 37.6819 -15.6371 37.6821 -6.07138 GPRESSAVG: 1209400 43.839 63.3744 -16.9988 64.5451 -22.0741 37.8695 -16.0573 37.9403 -7.44756 TIMING: 1209400 CPU: 3821.47, 0.00315067/step Wall: 3821.47, 0.00315067/step, 3.31748 hours remaining, 234.996094 MB of memory in use. ENERGY: 1209400 4050.4620 20489.9617 14472.4432 238.8245 -202972.1212 2287.6298 0.0000 0.0000 52133.8479 -109298.9521 299.6139 -161432.8000 -108931.6386 299.3557 -222.3697 -191.3170 760698.4511 4.5154 4.7724 PRESSURE: 1209600 -205.261 83.904 -168.233 83.904 -268.806 105.42 -168.232 105.419 19.2748 GPRESSURE: 1209600 -168.193 167.662 -173.748 -76.5723 -214.617 96.1021 -284.606 144.47 3.2857 PRESSAVG: 1209600 -18.1021 68.2007 6.28069 68.2007 42.3051 11.4767 6.28061 11.4767 -3.76914 GPRESSAVG: 1209600 -19.1818 68.8164 5.88236 64.6867 41.1271 10.4907 5.95213 8.65757 -1.97961 TIMING: 1209600 CPU: 3822.1, 0.00315091/step Wall: 3822.1, 0.00315091/step, 3.31756 hours remaining, 234.996094 MB of memory in use. ENERGY: 1209600 4025.8709 20555.9506 14520.5120 247.2170 -203271.6164 2440.9617 0.0000 0.0000 52118.9002 -109362.2040 299.5280 -161481.1042 -108997.6567 299.4440 -151.5973 -126.5081 760695.2261 6.8113 6.6552 PRESSURE: 1209800 0.537651 75.4823 167.342 75.4824 53.8552 -109.621 167.343 -109.621 240.776 GPRESSURE: 1209800 7.74607 15.5623 177.668 77.0833 -41.0669 -134.006 106.31 -30.8892 401.407 PRESSAVG: 1209800 -41.4929 17.137 15.3058 17.1371 -0.523339 7.30872 15.3058 7.30876 0.177763 GPRESSAVG: 1209800 -41.4087 15.2065 14.9915 20.0198 -0.02309 8.85379 14.4766 9.61264 -0.742408 TIMING: 1209800 CPU: 3822.73, 0.00315054/step Wall: 3822.73, 0.00315054/step, 3.31699 hours remaining, 234.984375 MB of memory in use. ENERGY: 1209800 4013.8230 20519.0497 14498.8798 230.0392 -203404.1197 2801.5397 0.0000 0.0000 51971.3281 -109369.4602 298.6799 -161340.7883 -109017.0649 298.6915 98.3897 122.6953 761521.4235 -13.9462 -14.0581 PRESSURE: 1210000 53.5682 117.717 -9.27037 117.716 -417.253 -150.636 -9.26964 -150.635 -118.907 GPRESSURE: 1210000 -17.1686 108.475 -21.1008 70.4673 -311.265 -67.4117 106.2 -234.703 -74.0538 PRESSAVG: 1210000 43.9899 18.5084 28.4693 18.5084 -32.8879 -7.15425 28.4693 -7.15417 2.59225 GPRESSAVG: 1210000 43.2669 19.3814 28.3822 18.3939 -32.5641 -7.38391 30.7576 -7.56562 3.21665 TIMING: 1210000 CPU: 3823.36, 0.00314603/step Wall: 3823.36, 0.00314603/step, 3.31207 hours remaining, 234.984375 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: 1210000 4005.4391 20504.5877 14428.2448 229.9394 -202994.4319 2356.5209 0.0000 0.0000 51967.6303 -109502.0697 298.6587 -161469.6999 -109138.1380 299.1277 -160.8641 -134.1625 759607.4929 4.5647 4.6398 PRESSURE: 1210200 -224.294 -101.761 -60.0701 -101.761 132.806 25.1562 -60.0694 25.1563 -152.063 GPRESSURE: 1210200 -50.1816 -48.7739 -74.1147 -140.561 108.235 23.7481 -54.5548 12.2334 -209.236 PRESSAVG: 1210200 9.683 3.95047 20.5568 3.95056 -27.5771 12.6316 20.5568 12.6316 12.2992 GPRESSAVG: 1210200 10.1472 4.27644 20.2223 1.63108 -29.2828 11.7882 18.6152 11.1517 12.925 TIMING: 1210200 CPU: 3823.99, 0.00315357/step Wall: 3823.99, 0.00315357/step, 3.31983 hours remaining, 235.199219 MB of memory in use. ENERGY: 1210200 3951.4533 20597.6007 14444.1470 248.2769 -203690.3247 2787.9677 0.0000 0.0000 51914.9351 -109745.9441 298.3558 -161660.8792 -109385.6427 298.6526 -81.1839 -50.3940 760002.2717 -1.8650 -2.0702 PRESSURE: 1210400 36.1017 3.3447 6.87538 3.34482 319.371 -152.414 6.87504 -152.414 74.272 GPRESSURE: 1210400 98.3646 -29.2228 11.0087 -51.0913 289.834 -165.714 -155.364 -173.346 130.282 PRESSAVG: 1210400 23.1238 -19.8808 5.9174 -19.8808 -23.0772 7.30995 5.91737 7.30995 4.05198 GPRESSAVG: 1210400 23.6754 -20.2656 7.47023 -19.0141 -21.6146 7.66762 6.21524 8.28559 2.74205 TIMING: 1210400 CPU: 3824.62, 0.00315511/step Wall: 3824.62, 0.00315511/step, 3.32128 hours remaining, 235.199219 MB of memory in use. ENERGY: 1210400 3999.6675 20413.5683 14513.0645 249.3374 -203479.9464 2672.9184 0.0000 0.0000 52022.3997 -109608.9906 298.9734 -161631.3902 -109252.8042 298.1500 143.2480 172.8268 761762.7140 1.3662 1.6010 PRESSURE: 1210600 -71.8944 -93.7413 -28.2949 -93.7421 -18.9209 83.0231 -28.2955 83.023 -196.445 GPRESSURE: 1210600 -80.6107 -79.8735 -119.605 -88.4565 38.9079 104.825 12.4061 -85.635 -152.17 PRESSAVG: 1210600 41.3572 -45.4122 -25.1584 -45.4122 -0.599825 14.3737 -25.1584 14.3738 20.1397 GPRESSAVG: 1210600 40.4952 -44.4018 -24.4522 -43.0289 -0.251158 14.3029 -24.9469 13.3651 20.3594 TIMING: 1210600 CPU: 3825.25, 0.00315163/step Wall: 3825.25, 0.00315163/step, 3.31744 hours remaining, 235.199219 MB of memory in use. ENERGY: 1210600 3983.5506 20498.3487 14608.7310 243.3422 -203174.7907 2205.7990 0.0000 0.0000 52074.5481 -109560.4710 299.2731 -161635.0190 -109194.2204 298.7431 -95.7536 -64.6243 760875.0951 20.2990 20.2011 PRESSURE: 1210800 -118.09 -8.11236 16.2739 -8.11209 297.229 -95.1485 16.2735 -95.1479 -67.712 GPRESSURE: 1210800 -125.78 -16.4899 55.0079 16.6705 405.132 -63.1043 67.3233 -51.5617 -72.1382 PRESSAVG: 1210800 -34.6814 11.9272 11.3158 11.9271 19.5519 20.2282 11.3158 20.2283 -13.3988 GPRESSAVG: 1210800 -33.69 13.6164 12.1263 8.54462 18.0913 19.8159 11.3843 21.9737 -12.4597 TIMING: 1210800 CPU: 3825.88, 0.00316116/step Wall: 3825.88, 0.00316116/step, 3.3273 hours remaining, 235.199219 MB of memory in use. ENERGY: 1210800 4038.0472 20380.4998 14437.9632 232.9909 -203253.7910 2533.1676 0.0000 0.0000 52166.1300 -109464.9922 299.7995 -161631.1223 -109107.6325 298.9380 37.1423 69.0711 762170.9267 -9.5094 -9.3528 PRESSURE: 1211000 -85.8633 -5.60745 224.536 -5.60731 113.123 245.958 224.536 245.957 -163.284 GPRESSURE: 1211000 -17.0004 -0.523463 178.756 -25.8926 167.356 244.608 257.412 160.393 -196.326 PRESSAVG: 1211000 -11.2378 29.8353 2.64978 29.8353 21.4849 28.8391 2.6498 28.8391 4.053 GPRESSAVG: 1211000 -12.0697 26.8099 2.31593 30.4909 22.7756 28.2897 4.80402 28.7489 3.14406 TIMING: 1211000 CPU: 3826.51, 0.00314278/step Wall: 3826.51, 0.00314278/step, 3.30778 hours remaining, 235.199219 MB of memory in use. ENERGY: 1211000 4010.2085 20401.3994 14494.4775 262.0877 -203579.2864 2818.3685 0.0000 0.0000 52046.4185 -109546.3263 299.1115 -161592.7448 -109182.8037 298.8457 -45.3414 -15.3235 760876.4982 4.7667 4.6167 PRESSURE: 1211200 387.428 -186.911 -0.34102 -186.911 -254.984 190.747 -0.341062 190.747 240.651 GPRESSURE: 1211200 358.17 -121.798 -46.8914 -54.642 -129.98 190.763 76.8437 125.061 211.542 PRESSAVG: 1211200 36.8067 11.9567 40.7376 11.9566 -32.4394 24.9819 40.7376 24.9819 -5.37895 GPRESSAVG: 1211200 37.4417 11.6979 39.1651 13.7967 -33.3102 26.3729 39.4603 22.0898 -4.98825 TIMING: 1211200 CPU: 3827.14, 0.00315626/step Wall: 3827.14, 0.00315626/step, 3.32178 hours remaining, 235.199219 MB of memory in use. ENERGY: 1211200 3997.5418 20531.4489 14427.7679 254.7106 -203359.5953 2577.2602 0.0000 0.0000 51958.4622 -109612.4036 298.6060 -161570.8658 -109248.9523 298.8256 124.3649 146.5775 760938.7518 -0.3372 -0.2856 PRESSURE: 1211400 76.9025 -13.4486 115.411 -13.4485 -255.287 -147.071 115.411 -147.07 -554.381 GPRESSURE: 1211400 106.175 20.4401 3.47297 -31.5025 -277.919 -126.286 180.261 54.4802 -472.544 PRESSAVG: 1211400 45.2317 21.0345 -8.81346 21.0345 -18.7384 3.13568 -8.81349 3.13562 -6.03934 GPRESSAVG: 1211400 45.2161 23.5258 -9.08206 18.5196 -18.707 2.73154 -9.3573 5.97773 -5.5117 TIMING: 1211400 CPU: 3827.77, 0.00316126/step Wall: 3827.77, 0.00316126/step, 3.32688 hours remaining, 235.199219 MB of memory in use. ENERGY: 1211400 4010.3330 20659.0108 14489.9709 251.4420 -203590.6516 2823.3794 0.0000 0.0000 51901.7759 -109454.7397 298.2802 -161356.5156 -109107.0384 298.4236 -244.2553 -214.7628 762008.4783 6.8180 6.9991 PRESSURE: 1211600 -341.616 210.689 224.212 210.689 50.4033 22.7263 224.212 22.7271 439.756 GPRESSURE: 1211600 -307.356 223.18 154.108 -65.888 145.95 40.5581 206.446 -150.078 409.103 PRESSAVG: 1211600 -31.0421 6.13369 -50.4451 6.1337 9.73583 18.0389 -50.4451 18.0389 3.20978 GPRESSAVG: 1211600 -30.4688 5.38321 -48.5778 6.30472 10.1144 18.6141 -51.0231 17.623 2.20764 TIMING: 1211600 CPU: 3828.4, 0.00314914/step Wall: 3828.4, 0.00314914/step, 3.31394 hours remaining, 235.199219 MB of memory in use. ENERGY: 1211600 3963.3395 20510.0414 14533.9501 232.6570 -203395.9938 2783.5840 0.0000 0.0000 51996.2621 -109376.1598 298.8232 -161372.4219 -109020.2744 299.0357 49.5144 82.5655 761295.1557 -6.0322 -6.0489 PRESSURE: 1211800 -195.596 -89.1887 60.0536 -89.188 -103.827 77.2589 60.0535 77.2585 31.7518 GPRESSURE: 1211800 -87.144 -157.711 10.9603 6.52732 -120.114 81.7873 38.1804 14.35 40.0676 PRESSAVG: 1211800 -42.9106 1.97288 -25.2178 1.97294 55.4736 28.0846 -25.2178 28.0845 -8.93165 GPRESSAVG: 1211800 -42.2976 0.532559 -26.3845 2.13566 56.4655 27.0155 -24.3759 26.7218 -9.73809 TIMING: 1211800 CPU: 3829.03, 0.00316088/step Wall: 3829.03, 0.00316088/step, 3.32612 hours remaining, 235.128906 MB of memory in use. ENERGY: 1211800 3963.4194 20518.2221 14461.7269 237.2228 -202841.3243 2306.6547 0.0000 0.0000 51907.6906 -109446.3879 298.3142 -161354.0784 -109089.9224 298.9758 -89.2239 -55.7302 762856.1110 1.2105 1.4766 PRESSURE: 1212000 -5.2117 2.21687 -96.2497 2.217 -88.1253 -86.9475 -96.25 -86.9474 305.254 GPRESSURE: 1212000 45.3907 39.4539 -87.5845 17.0974 -62.3597 11.5726 -124.576 -120.549 294.506 PRESSAVG: 1212000 28.2258 14.4079 -60.4089 14.408 -6.2965 -28.0206 -60.4089 -28.0206 1.76428 GPRESSAVG: 1212000 28.6886 16.8162 -60.1167 15.1885 -7.02382 -26.8388 -59.3918 -26.763 2.22061 TIMING: 1212000 CPU: 3829.66, 0.00315045/step Wall: 3829.66, 0.00315045/step, 3.31498 hours remaining, 235.128906 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: 1212000 3997.6017 20305.7045 14414.5740 235.4825 -202675.3882 2417.9400 0.0000 0.0000 51936.4408 -109367.6447 298.4794 -161304.0855 -109003.7207 298.7099 70.6391 92.5124 763261.3828 7.8979 7.9618 PRESSURE: 1212200 -214.775 6.77556 -60.1054 6.77559 17.4883 -126.659 -60.105 -126.659 -5.37547 GPRESSURE: 1212200 -118.973 81.4107 6.87718 83.7905 6.55597 -147.192 -112.464 -149.937 30.772 PRESSAVG: 1212200 -19.8597 19.8139 -34.4835 19.8139 -56.7101 -49.4897 -34.4834 -49.4896 -2.57807 GPRESSAVG: 1212200 -19.5466 18.6974 -33.7374 20.1347 -57.2588 -50.5325 -35.24 -49.0595 -2.46913 TIMING: 1212200 CPU: 3830.29, 0.00313319/step Wall: 3830.29, 0.00313319/step, 3.29663 hours remaining, 235.199219 MB of memory in use. ENERGY: 1212200 4031.8907 20429.9664 14373.7803 236.7734 -202918.3875 2593.4178 0.0000 0.0000 52043.4943 -109209.0644 299.0947 -161252.5588 -108836.3623 299.0986 -67.5540 -27.2151 762698.7577 -26.3826 -26.4248 LDB: ============= START OF LOAD BALANCING ============== 3842.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3842.82 LDB: =============== DONE WITH MIGRATION ================ 3842.82 LDB: ============= START OF LOAD BALANCING ============== 3843.14 LDB: Largest compute 7036 load 0.029974 is 15.3% of average load 0.195331 LDB: Average compute 0.004381 is 2.2% of average load 0.195331 LDB: TIME 3843.14 LOAD: AVG 0.195331 MAX 0.214951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.613 MB LDB: TIME 3843.14 LOAD: AVG 0.195331 MAX 0.214951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 3843.14 LOAD: AVG 0.195331 MAX 0.214951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 3843.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3843.15 PRESSURE: 1212400 343.683 124.949 288.499 124.95 188.204 61.2263 288.499 61.2268 -1.99341 GPRESSURE: 1212400 380.034 32.8991 289.878 97.9339 265.212 21.6637 125.107 122.845 -22.7858 PRESSAVG: 1212400 -5.39062 39.4497 -33.2281 39.4497 -3.373 34.8908 -33.2281 34.8909 10.0113 GPRESSAVG: 1212400 -5.09919 40.1431 -34.907 39.5247 -4.10631 34.965 -34.364 35.0568 10.6792 TIMING: 1212400 CPU: 3830.93, 0.00321791/step Wall: 3830.93, 0.00321791/step, 3.3856 hours remaining, 233.777344 MB of memory in use. ENERGY: 1212400 3946.9655 20475.1918 14457.8294 248.6514 -203375.3432 2959.4652 0.0000 0.0000 51964.2966 -109322.9432 298.6395 -161287.2398 -108962.2757 298.6653 176.6310 207.4870 762671.4467 0.4159 0.4912 PRESSURE: 1212600 20.0932 -22.0029 -289.996 -22.0044 -85.9349 -181.618 -289.996 -181.618 -46.343 GPRESSURE: 1212600 17.7558 15.7517 -234.575 -155.549 -80.2704 -153.344 -182.544 -118.601 42.7843 PRESSAVG: 1212600 26.007 30.7322 -23.8493 30.7322 -33.5362 -17.6785 -23.8493 -17.6785 -11.7003 GPRESSAVG: 1212600 24.3146 31.8012 -23.247 29.2071 -32.9138 -18.1824 -23.6902 -16.7467 -11.1878 TIMING: 1212600 CPU: 3831.57, 0.0031697/step Wall: 3831.57, 0.0031697/step, 3.3347 hours remaining, 233.777344 MB of memory in use. ENERGY: 1212600 4017.8396 20447.2078 14540.8656 240.3079 -203212.3594 2540.9008 0.0000 0.0000 51921.1721 -109504.0656 298.3917 -161425.2377 -109142.4962 298.6423 -37.3949 -6.5768 761112.2088 -6.4098 -6.5957 PRESSURE: 1212800 90.6644 57.4471 -136.001 57.4466 -53.1605 -36.1986 -136.002 -36.2002 -117.63 GPRESSURE: 1212800 183.289 -67.4503 -185.205 59.3425 -56.4511 11.7023 -105.007 -120.07 -101.275 PRESSAVG: 1212800 1.09179 8.97225 -4.0129 8.97225 -14.3977 -24.9373 -4.01286 -24.9373 6.8577 GPRESSAVG: 1212800 2.67608 6.55159 -3.42764 10.3137 -14.756 -23.6134 -4.67159 -27.7125 5.26273 TIMING: 1212800 CPU: 3832.21, 0.00318565/step Wall: 3832.21, 0.00318565/step, 3.3513 hours remaining, 233.777344 MB of memory in use. ENERGY: 1212800 3944.6776 20542.8106 14490.7702 241.7687 -203219.8645 2640.8502 0.0000 0.0000 52122.4395 -109236.5479 299.5484 -161358.9874 -108869.7624 299.4211 -26.7087 8.5210 761217.9261 -2.1494 -2.2724 PRESSURE: 1213000 455.429 -7.53607 67.0266 -7.53521 55.2318 -105.356 67.0268 -105.356 21.941 GPRESSURE: 1213000 407.213 26.9037 31.7455 67.8966 95.666 -99.6582 154.033 -24.8318 105.651 PRESSAVG: 1213000 59.852 47.3414 2.32161 47.3414 8.62969 8.64067 2.32156 8.64067 -28.3024 GPRESSAVG: 1213000 58.7295 47.6924 1.71894 48.443 9.33904 7.1497 2.61209 10.8178 -27.6129 TIMING: 1213000 CPU: 3832.84, 0.00319668/step Wall: 3832.84, 0.00319668/step, 3.36272 hours remaining, 233.777344 MB of memory in use. ENERGY: 1213000 4019.2008 20635.0121 14493.3189 252.1017 -203286.9602 2733.4711 0.0000 0.0000 52143.8087 -109010.0470 299.6712 -161153.8557 -108659.3791 299.8854 177.5339 202.8431 761079.3516 13.3931 13.4852 PRESSURE: 1213200 510.894 -73.8251 114.284 -73.825 37.4415 -264.542 114.284 -264.541 141.9 GPRESSURE: 1213200 489.918 13.623 92.6717 -25.1791 152.611 -262.759 156.967 -263.267 136.725 PRESSAVG: 1213200 58.5097 41.9438 -10.7997 41.9438 -42.6158 -43.6598 -10.7997 -43.6598 -5.54845 GPRESSAVG: 1213200 57.5054 40.6153 -10.6655 41.7449 -41.9461 -44.0169 -8.67606 -45.6136 -5.58932 TIMING: 1213200 CPU: 3833.47, 0.00314233/step Wall: 3833.47, 0.00314233/step, 3.30538 hours remaining, 233.777344 MB of memory in use. ENERGY: 1213200 4014.8827 20543.3524 14483.2210 243.5921 -203250.7740 2625.5205 0.0000 0.0000 52232.7042 -109107.5011 300.1821 -161340.2053 -108740.6630 299.9909 230.0785 259.7515 761669.3113 3.4485 3.3233 PRESSURE: 1213400 65.6767 24.4472 101.184 24.4481 -328.169 58.941 101.184 58.9406 -122.202 GPRESSURE: 1213400 44.665 163.691 46.3622 42.918 -217.823 48.6486 58.09 10.3732 -117.41 PRESSAVG: 1213400 -0.461927 35.5567 9.17071 35.5566 -19.3313 -21.6214 9.17074 -21.6214 7.90282 GPRESSAVG: 1213400 -0.454585 37.0719 11.1732 36.2103 -18.7748 -21.504 5.82072 -21.4271 7.1653 TIMING: 1213400 CPU: 3834.11, 0.00316872/step Wall: 3834.11, 0.00316872/step, 3.33297 hours remaining, 233.777344 MB of memory in use. ENERGY: 1213400 4000.7971 20666.2533 14491.4072 249.2936 -203027.2852 2547.1333 0.0000 0.0000 51845.8211 -109226.5796 297.9586 -161072.4007 -108862.9430 299.4665 -128.2314 -96.8559 762360.2577 -3.9635 -4.0214 PRESSURE: 1213600 206.501 87.5916 -227.482 87.5932 166.632 -242.201 -227.482 -242.202 64.7057 GPRESSURE: 1213600 244.436 24.1034 -185.785 173.474 214.813 -171.869 -202.667 -229.853 70.819 PRESSAVG: 1213600 -35.4488 33.1962 -60.85 33.1961 52.5846 -66.8551 -60.85 -66.855 0.192312 GPRESSAVG: 1213600 -33.1737 33.3313 -62.9205 31.5172 51.0409 -65.2673 -60.8578 -67.2756 0.250389 TIMING: 1213600 CPU: 3834.73, 0.00313555/step Wall: 3834.73, 0.00313555/step, 3.2979 hours remaining, 233.921875 MB of memory in use. ENERGY: 1213600 3974.2725 20530.2165 14492.6885 233.1342 -203348.2943 2755.7772 0.0000 0.0000 52097.7249 -109264.4805 299.4063 -161362.2053 -108886.8336 299.3213 145.9463 176.6894 761020.6962 5.7760 6.0392 PRESSURE: 1213800 -118.563 0.553785 192.073 0.554922 228.299 12.6601 192.073 12.6603 41.6941 GPRESSURE: 1213800 -16.1385 -19.3796 238.374 -16.7258 212.899 35.5942 241.268 41.8976 57.3712 PRESSAVG: 1213800 18.8464 -28.0379 1.79213 -28.038 18.7373 -14.5797 1.79212 -14.5796 18.9604 GPRESSAVG: 1213800 17.4709 -28.7022 2.14953 -28.0561 18.9713 -16.6122 4.71025 -14.258 19.4593 TIMING: 1213800 CPU: 3835.36, 0.00315058/step Wall: 3835.36, 0.00315058/step, 3.31354 hours remaining, 233.921875 MB of memory in use. ENERGY: 1213800 3957.0976 20631.5422 14523.9609 243.7904 -203310.4051 2434.6179 0.0000 0.0000 52136.9685 -109382.4277 299.6319 -161519.3962 -109025.9667 299.6790 50.4766 84.7104 760270.1737 18.8480 18.6338 PRESSURE: 1214000 -21.3117 13.7834 197.253 13.7828 154.624 134.165 197.252 134.164 -105.634 GPRESSURE: 1214000 71.1559 30.7494 231.305 6.22131 71.153 196.98 129.685 60.8249 -29.3702 PRESSAVG: 1214000 -45.4686 -17.4382 -35.0905 -17.4382 55.1258 -2.29109 -35.0906 -2.29117 26.8402 GPRESSAVG: 1214000 -45.0435 -18.8599 -34.906 -18.1952 53.5855 -2.21928 -37.8168 -2.42702 27.8772 TIMING: 1214000 CPU: 3836, 0.00315631/step Wall: 3836, 0.00315631/step, 3.31939 hours remaining, 233.921875 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: 1214000 3950.8542 20643.7384 14477.0645 241.5504 -203640.3575 2864.1225 0.0000 0.0000 51862.3596 -109600.6679 298.0537 -161463.0275 -109235.8844 299.2043 9.2259 37.6462 760844.9860 12.1658 12.1397 PRESSURE: 1214200 -117.167 204.4 -195.885 204.4 58.0295 -9.1243 -195.886 -9.12512 287.103 GPRESSURE: 1214200 8.68099 144.151 -218.093 -11.521 70.9323 -14.0099 -159.923 -51.5143 237.855 PRESSAVG: 1214200 2.15818 -37.4936 -21.1209 -37.4935 -1.83925 46.4047 -21.1209 46.4047 -27.1586 GPRESSAVG: 1214200 2.07143 -38.0556 -21.8156 -36.2991 -0.875016 47.074 -20.0056 46.0282 -28.7545 TIMING: 1214200 CPU: 3836.62, 0.00312061/step Wall: 3836.62, 0.00312061/step, 3.28167 hours remaining, 233.921875 MB of memory in use. ENERGY: 1214200 4013.6890 20586.1340 14512.2652 243.4513 -203811.4473 2877.4463 0.0000 0.0000 52002.9497 -109575.5118 298.8617 -161578.4615 -109215.4480 299.0339 75.9884 105.8228 762142.6010 -8.9465 -9.1860 PRESSURE: 1214400 -343.302 -304.617 125.54 -304.617 -68.018 78.5478 125.539 78.5481 202.694 GPRESSURE: 1214400 -209.003 -244.933 156.174 -39.7998 -150.959 82.7504 75.9999 -51.9746 234.498 PRESSAVG: 1214400 -41.9522 -22.6706 5.40432 -22.6707 33.9512 -13.5002 5.40433 -13.5001 -5.06227 GPRESSAVG: 1214400 -42.03 -21.3961 4.82499 -22.9149 33.0911 -14.539 4.73665 -14.32 -4.07892 TIMING: 1214400 CPU: 3837.25, 0.00313472/step Wall: 3837.25, 0.00313472/step, 3.29634 hours remaining, 233.921875 MB of memory in use. ENERGY: 1214400 3941.7262 20614.5270 14452.4040 263.1101 -203865.8062 2840.7624 0.0000 0.0000 51938.9063 -109814.3703 298.4936 -161753.2767 -109446.9909 298.8748 -69.5420 -41.8216 759925.0102 -4.3544 -4.3393 PRESSURE: 1214600 342.749 263.08 93.1853 263.08 186.241 -33.5203 93.1852 -33.5213 165.777 GPRESSURE: 1214600 378.777 364.076 57.7096 314.728 223.357 27.1273 -27.0739 63.2154 179.422 PRESSAVG: 1214600 -55.1781 25.3447 -13.1446 25.3447 28.8909 -26.8462 -13.1446 -26.8462 7.81434 GPRESSAVG: 1214600 -55.0099 25.8661 -11.8189 24.8906 29.0116 -24.4935 -13.0669 -27.1295 7.40036 TIMING: 1214600 CPU: 3837.87, 0.00313211/step Wall: 3837.87, 0.00313211/step, 3.29341 hours remaining, 233.921875 MB of memory in use. ENERGY: 1214600 4049.3086 20423.1847 14482.1356 246.7871 -203495.4155 2548.7892 0.0000 0.0000 51974.8806 -109770.3297 298.7004 -161745.2103 -109397.0910 298.8991 231.5890 260.5184 759182.2598 -6.1576 -6.1993 PRESSURE: 1214800 154.742 -107.303 -175.426 -107.302 -92.4392 -44.5449 -175.426 -44.5459 -134.423 GPRESSURE: 1214800 106.874 -132.588 -182.523 26.5689 51.619 -95.6875 -64.5875 14.1734 -139.595 PRESSAVG: 1214800 -41.8722 3.51343 5.82792 3.51337 58.3084 -10.1227 5.82793 -10.1226 25.6378 GPRESSAVG: 1214800 -42.135 2.92367 4.21731 3.38385 59.3261 -12.0068 6.49166 -9.8767 24.9444 TIMING: 1214800 CPU: 3838.5, 0.00312867/step Wall: 3838.5, 0.00312867/step, 3.28962 hours remaining, 233.921875 MB of memory in use. ENERGY: 1214800 4013.3478 20489.4920 14468.0183 254.3551 -203765.1817 2849.4373 0.0000 0.0000 51847.7209 -109842.8103 297.9696 -161690.5312 -109474.9306 298.7137 -24.0402 6.2993 759580.0509 14.0247 14.0451 PRESSURE: 1215000 -152.713 -227.663 7.51457 -227.663 -39.6181 -71.6146 7.5145 -71.6143 -391.37 GPRESSURE: 1215000 -87.1577 -258.881 -23.3036 -242.026 -53.38 -103.508 39.2522 37.9982 -368.301 PRESSAVG: 1215000 30.023 -31.9753 -17.6055 -31.9753 17.7743 0.642433 -17.6055 0.642364 5.20089 GPRESSAVG: 1215000 30.4431 -33.0276 -17.2559 -30.37 17.2452 0.971469 -17.1038 0.665091 5.25827 TIMING: 1215000 CPU: 3839.13, 0.00314267/step Wall: 3839.13, 0.00314267/step, 3.30417 hours remaining, 233.921875 MB of memory in use. ENERGY: 1215000 4059.9531 20609.5774 14413.7197 263.4011 -203401.0605 2452.2776 0.0000 0.0000 51861.1640 -109740.9674 298.0468 -161602.1315 -109379.0069 298.4293 -194.5670 -169.6130 760425.0005 17.6661 17.6489 PRESSURE: 1215200 189.274 -24.4598 2.28031 -24.4595 -35.238 -58.8888 2.28029 -58.8894 38.3906 GPRESSURE: 1215200 249.104 -147.595 16.1245 14.2384 6.82806 -14.9206 -38.3861 13.508 10.791 PRESSAVG: 1215200 -35.7831 -0.763618 7.7433 -0.763644 52.2779 -2.1337 7.74329 -2.1338 5.5322 GPRESSAVG: 1215200 -36.0648 0.409492 8.41336 -1.757 51.4341 -1.42717 6.46269 -1.61763 6.58561 TIMING: 1215200 CPU: 3839.75, 0.00313476/step Wall: 3839.75, 0.00313476/step, 3.29568 hours remaining, 233.921875 MB of memory in use. ENERGY: 1215200 3995.5570 20490.6046 14455.1926 253.2989 -203847.2464 2657.5462 0.0000 0.0000 52116.5445 -109878.5025 299.5145 -161995.0470 -109507.3462 298.4794 64.1421 88.9078 760303.7589 7.3423 7.3183 PRESSURE: 1215400 -78.6726 -173.068 84.7387 -173.067 -232.235 94.3625 84.7383 94.3623 -29.6228 GPRESSURE: 1215400 8.74791 -21.2102 102.288 -173.791 -195.576 25.7814 5.0374 -80.3848 -76.4681 PRESSAVG: 1215400 0.704123 -11.7558 -4.05586 -11.7558 27.399 6.4961 -4.05578 6.49611 2.50446 GPRESSAVG: 1215400 0.237337 -9.92086 -5.0174 -13.5466 28.77 5.5737 -4.10123 4.29943 2.32086 TIMING: 1215400 CPU: 3840.38, 0.00313998/step Wall: 3840.38, 0.00313998/step, 3.30099 hours remaining, 233.921875 MB of memory in use. ENERGY: 1215400 3992.4771 20468.2819 14480.3491 247.6269 -203910.2076 2841.6185 0.0000 0.0000 51986.1423 -109893.7117 298.7651 -161879.8541 -109515.5852 298.6733 -113.5102 -87.7653 760836.2759 10.2025 10.4427 PRESSURE: 1215600 309.558 77.628 74.9065 77.6284 84.5234 -201.229 74.9067 -201.23 29.9285 GPRESSURE: 1215600 271.735 106.363 162.636 66.7805 205.9 -145.397 36.2066 -189.208 30.2528 PRESSAVG: 1215600 -24.025 -25.3427 32.7568 -25.3427 12.6131 -35.4403 32.7569 -35.4403 -17.623 GPRESSAVG: 1215600 -24.2371 -27.2692 31.8289 -22.4884 12.7059 -34.8606 32.8995 -35.0586 -18.3163 TIMING: 1215600 CPU: 3841.01, 0.00314387/step Wall: 3841.01, 0.00314387/step, 3.30491 hours remaining, 233.921875 MB of memory in use. ENERGY: 1215600 4055.5164 20470.4400 14427.2290 265.2504 -203904.0136 2999.9022 0.0000 0.0000 51968.5800 -109717.0956 298.6641 -161685.6757 -109348.7456 298.6758 141.3367 169.2958 761887.7972 -9.6783 -9.9492 PRESSURE: 1215800 -40.3904 162.971 -69.5136 162.97 -18.0661 -34.2953 -69.5131 -34.2946 149.735 GPRESSURE: 1215800 123.009 59.1297 -18.1853 63.712 -126.648 -83.308 -149.794 154.506 192.109 PRESSAVG: 1215800 48.1075 -16.2137 1.75311 -16.2137 -41.5596 19.3763 1.75312 19.3763 -26.053 GPRESSAVG: 1215800 47.8203 -17.1905 0.82612 -17.4867 -41.6743 19.9746 2.10327 19.4881 -25.8367 TIMING: 1215800 CPU: 3841.64, 0.00313016/step Wall: 3841.64, 0.00313016/step, 3.29032 hours remaining, 233.921875 MB of memory in use. ENERGY: 1215800 3978.8423 20723.1247 14379.9883 236.6564 -203966.9524 2791.3674 0.0000 0.0000 51906.9168 -109950.0565 298.3098 -161856.9734 -109590.5777 298.5613 30.4263 62.8234 761000.6621 -6.5017 -6.5635 PRESSURE: 1216000 -178.816 -25.494 255.586 -25.4931 -171.021 -50.4468 255.587 -50.4473 140.109 GPRESSURE: 1216000 -128.918 -4.99938 221.4 -64.0767 -130.856 -68.9668 264.994 -72.5818 136.053 PRESSAVG: 1216000 -33.8561 -27.0587 64.2116 -27.0587 -0.890242 -16.2787 64.2116 -16.2787 1.29525 GPRESSAVG: 1216000 -32.4718 -26.8021 66.0772 -26.5862 -2.83785 -16.9111 64.1305 -16.5472 2.24259 TIMING: 1216000 CPU: 3842.26, 0.00313845/step Wall: 3842.26, 0.00313845/step, 3.29886 hours remaining, 233.910156 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: 1216000 4038.9133 20528.5012 14320.7350 236.9556 -203703.1383 2541.4382 0.0000 0.0000 52121.3550 -109915.2400 299.5421 -162036.5949 -109544.3424 298.6489 -69.9093 -41.2401 761763.2555 -11.1504 -11.0224 PRESSURE: 1216200 -120.857 -138.077 150.492 -138.078 -365.592 114.883 150.491 114.883 -189.179 GPRESSURE: 1216200 -115.098 -82.4734 106.523 -78.8886 -342.93 130.727 353.589 37.1692 -138.743 PRESSAVG: 1216200 -18.5684 46.6069 55.4019 46.6069 -19.3947 -11.7968 55.4019 -11.7968 -3.42498 GPRESSAVG: 1216200 -18.8046 45.5581 54.7316 46.6313 -18.1955 -13.2933 54.8142 -11.1441 -4.52821 TIMING: 1216200 CPU: 3842.9, 0.00317041/step Wall: 3842.9, 0.00317041/step, 3.33228 hours remaining, 233.910156 MB of memory in use. ENERGY: 1216200 3943.2313 20487.5250 14503.4676 233.5653 -203594.9768 2509.9214 0.0000 0.0000 51993.9289 -109923.3373 298.8098 -161917.2662 -109547.9630 298.1550 -225.2094 -198.9236 761045.9062 -13.7960 -13.8428 LDB: ============= START OF LOAD BALANCING ============== 3855.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3855.43 LDB: =============== DONE WITH MIGRATION ================ 3855.44 LDB: ============= START OF LOAD BALANCING ============== 3855.75 LDB: Largest compute 7042 load 0.031134 is 15.9% of average load 0.195407 LDB: Average compute 0.004399 is 2.3% of average load 0.195407 LDB: TIME 3855.76 LOAD: AVG 0.195407 MAX 0.218487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.418 MB LDB: TIME 3855.76 LOAD: AVG 0.195407 MAX 0.218487 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: TIME 3855.76 LOAD: AVG 0.195407 MAX 0.216125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.621 MB LDB: ============== END OF LOAD BALANCING =============== 3855.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3855.77 PRESSURE: 1216400 -101.713 95.2048 229.992 95.2053 21.6311 2.51715 229.993 2.5177 15.0077 GPRESSURE: 1216400 -41.7019 83.5493 150.722 96.8005 78.8831 25.2531 182.593 -57.1385 -24.9963 PRESSAVG: 1216400 6.84948 37.4772 46.9357 37.4773 2.8941 9.44442 46.9356 9.44441 9.27798 GPRESSAVG: 1216400 6.32546 40.7772 46.3407 37.2275 3.07785 11.7111 47.4716 9.57489 9.32547 TIMING: 1216400 CPU: 3843.55, 0.00325356/step Wall: 3843.55, 0.00325356/step, 3.41949 hours remaining, 234.160156 MB of memory in use. ENERGY: 1216400 4016.5125 20527.9507 14426.7787 246.9771 -203447.5865 2592.5959 0.0000 0.0000 51970.3708 -109666.4009 298.6744 -161636.7717 -109297.4318 298.7584 -21.6915 4.0616 762295.3356 6.3405 6.2429 PRESSURE: 1216600 258.717 -118.858 -120.214 -118.858 -21.6471 -147.127 -120.214 -147.129 297.534 GPRESSURE: 1216600 220.149 -156.941 -94.4854 -112.477 66.3456 -157.26 -64.0789 -200.026 337.649 PRESSAVG: 1216600 33.4828 -37.2086 20.9987 -37.2087 -58.0448 3.11492 20.9987 3.11488 -19.6859 GPRESSAVG: 1216600 32.828 -37.5202 22.751 -36.4043 -58.6812 1.0719 20.5163 4.12961 -18.3983 TIMING: 1216600 CPU: 3844.18, 0.00315431/step Wall: 3844.18, 0.00315432/step, 3.31501 hours remaining, 234.363281 MB of memory in use. ENERGY: 1216600 4007.6205 20519.7921 14420.7670 241.8716 -203944.6710 2980.7822 0.0000 0.0000 51994.8980 -109778.9396 298.8154 -161773.8376 -109409.5513 299.2503 178.2012 208.0479 760434.0259 -14.7493 -14.7505 PRESSURE: 1216800 232.725 -78.5128 -144.673 -78.5137 332.871 116.546 -144.673 116.546 -3.74826 GPRESSURE: 1216800 206.088 97.5841 -113.19 -75.4958 417.535 40.8624 -96.1057 74.6537 30.1488 PRESSAVG: 1216800 30.6139 27.8093 42.1515 27.8094 -39.4372 -31.9396 42.1515 -31.9396 4.16005 GPRESSAVG: 1216800 31.686 26.919 41.3022 28.5314 -39.099 -31.143 41.8435 -33.7959 2.65433 TIMING: 1216800 CPU: 3844.81, 0.00316571/step Wall: 3844.81, 0.00316571/step, 3.32681 hours remaining, 234.363281 MB of memory in use. ENERGY: 1216800 3961.7785 20508.0371 14395.8118 236.1961 -203933.0837 2836.9668 0.0000 0.0000 52259.9589 -109734.3345 300.3387 -161994.2934 -109363.1155 299.1626 187.2824 217.9239 759939.2859 -1.5544 -1.5862 PRESSURE: 1217000 -334.286 -147.391 276.991 -147.391 -99.1091 -140.929 276.991 -140.929 -10.1371 GPRESSURE: 1217000 -220.599 -41.036 292.026 -141.202 -91.2622 -123.15 266.365 -5.91045 -44.6176 PRESSAVG: 1217000 -47.8581 -0.126889 77.633 -0.12687 32.6733 -59.3076 77.633 -59.3076 20.6073 GPRESSAVG: 1217000 -47.9372 1.78547 76.2142 -2.72229 31.539 -59.1694 76.8881 -58.0774 20.4735 TIMING: 1217000 CPU: 3845.45, 0.00318939/step Wall: 3845.45, 0.00318939/step, 3.35151 hours remaining, 234.363281 MB of memory in use. ENERGY: 1217000 3969.3680 20560.1060 14431.8289 259.5958 -202892.5854 2238.1275 0.0000 0.0000 51795.2718 -109638.2873 297.6681 -161433.5591 -109278.8998 299.1410 -147.8442 -118.8263 760826.8045 1.8075 1.3584 PRESSURE: 1217200 -52.4144 0.605179 -133.59 0.605358 -72.501 87.5944 -133.591 87.5941 -183.017 GPRESSURE: 1217200 -46.0265 -15.0945 -75.3717 -55.9059 -62.7083 78.0287 -116.677 82.8551 -126.41 PRESSAVG: 1217200 -62.6937 -15.3513 52.8405 -15.3514 39.752 -3.48728 52.8406 -3.48724 -16.0157 GPRESSAVG: 1217200 -63.7915 -16.1765 55.1495 -16.2521 40.5646 -3.45441 54.0933 -3.34769 -15.25 TIMING: 1217200 CPU: 3846.09, 0.00317097/step Wall: 3846.09, 0.00317097/step, 3.33198 hours remaining, 234.363281 MB of memory in use. ENERGY: 1217200 4020.4559 20639.9304 14519.6200 246.7315 -203713.1132 2553.2843 0.0000 0.0000 52106.7947 -109626.2963 299.4585 -161733.0910 -109264.4195 299.0168 -102.6442 -78.3815 760345.7585 -12.9858 -12.8256 PRESSURE: 1217400 239.465 -125.406 -208.845 -125.406 29.6409 125.049 -208.845 125.049 106.671 GPRESSURE: 1217400 245.533 15.7117 -226.73 -106.843 54.5217 67.0064 -176.362 63.1521 142.84 PRESSAVG: 1217400 -36.3693 -19.6751 -15.9915 -19.6751 36.4404 -13.4662 -15.9915 -13.4662 6.71611 GPRESSAVG: 1217400 -35.6536 -21.0547 -16.6017 -17.753 35.4925 -13.5815 -15.8695 -17.1344 7.04156 TIMING: 1217400 CPU: 3846.72, 0.00315888/step Wall: 3846.72, 0.00315888/step, 3.31911 hours remaining, 234.363281 MB of memory in use. ENERGY: 1217400 4071.7758 20488.3126 14427.7525 242.6427 -203215.9952 2512.2708 0.0000 0.0000 51841.4943 -109631.7465 297.9338 -161473.2408 -109272.3421 298.8608 125.2591 147.6317 762623.8356 2.2624 2.2935 PRESSURE: 1217600 -335.865 29.6446 -99.0425 29.6448 -175.172 99.4426 -99.0422 99.4435 -509.149 GPRESSURE: 1217600 -324.184 136.427 -119.489 -20.9838 -80.549 160.254 -135.2 77.8116 -527.233 PRESSAVG: 1217600 6.609 -4.34571 -1.43516 -4.34571 29.8671 -22.291 -1.43515 -22.2909 7.32633 GPRESSAVG: 1217600 6.46853 -3.56897 -2.03152 -6.12835 30.3384 -23.0735 -0.345153 -18.8005 6.80088 TIMING: 1217600 CPU: 3847.35, 0.00317159/step Wall: 3847.35, 0.00317159/step, 3.33228 hours remaining, 234.363281 MB of memory in use. ENERGY: 1217600 4076.3942 20630.6165 14447.5951 237.7019 -203330.2836 2434.1932 0.0000 0.0000 52032.0337 -109471.7490 299.0288 -161503.7828 -109111.0159 298.8456 -340.0621 -310.6551 761506.1715 14.6008 14.5359 PRESSURE: 1217800 116.086 -82.7208 429.1 -82.7213 485.715 182.748 429.1 182.747 277.88 GPRESSURE: 1217800 228.922 -60.8576 395.97 3.29219 479.348 171.491 478.621 89.6557 264.723 PRESSAVG: 1217800 -74.0851 -8.98952 21.6027 -8.98954 -9.06007 13.6176 21.6027 13.6176 18.2858 GPRESSAVG: 1217800 -72.9672 -8.63384 21.4091 -7.65098 -10.2144 13.6289 19.8817 14.6212 18.1388 TIMING: 1217800 CPU: 3847.99, 0.00318551/step Wall: 3847.99, 0.00318551/step, 3.34673 hours remaining, 234.363281 MB of memory in use. ENERGY: 1217800 4017.5891 20412.8708 14476.6726 248.0199 -204066.8426 3124.0020 0.0000 0.0000 51938.6271 -109849.0611 298.4920 -161787.6882 -109490.3123 298.7925 293.2269 324.3310 760976.9961 -21.6198 -21.6810 PRESSURE: 1218000 212.846 -63.0483 -243.277 -63.0492 -389.308 305.5 -243.278 305.5 13.084 GPRESSURE: 1218000 140.567 9.36745 -239.772 -129.411 -217.05 221.232 -238.07 240.941 14.6498 PRESSAVG: 1218000 25.9386 -44.9033 -19.0023 -44.9034 40.2258 13.1081 -19.0024 13.1081 -0.612245 GPRESSAVG: 1218000 25.6806 -46.2882 -18.1123 -45.2707 41.5907 12.492 -18.4951 12.5562 -1.26096 TIMING: 1218000 CPU: 3848.62, 0.00317401/step Wall: 3848.62, 0.00317401/step, 3.33448 hours remaining, 234.363281 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: 1218000 3947.1357 20580.5033 14410.9491 256.9214 -203295.2421 2580.6218 0.0000 0.0000 51716.2147 -109802.8961 297.2138 -161519.1108 -109439.9801 298.1593 -54.4594 -20.6112 762498.5125 21.8507 22.0035 PRESSURE: 1218200 89.2775 18.1863 13.9198 18.1871 383.084 -102.365 13.9199 -102.365 64.7 GPRESSURE: 1218200 161.607 123.977 -37.8831 137.796 414.529 -221.727 -6.32959 23.8924 59.8538 PRESSAVG: 1218200 -15.9076 -28.8308 -20.6928 -28.8308 4.46241 7.52526 -20.6928 7.52518 -11.3262 GPRESSAVG: 1218200 -16.1548 -27.474 -21.4305 -26.9888 3.66688 9.3563 -21.7741 5.36563 -10.4154 TIMING: 1218200 CPU: 3849.26, 0.00318459/step Wall: 3849.26, 0.00318459/step, 3.34541 hours remaining, 234.363281 MB of memory in use. ENERGY: 1218200 3971.6456 20639.3765 14478.4236 230.9341 -203860.9453 2935.9189 0.0000 0.0000 52052.1712 -109552.4753 299.1445 -161604.6466 -109186.7310 298.8089 179.0205 211.9963 760562.3091 -7.5904 -7.6344 PRESSURE: 1218400 -0.045919 10.59 -146.655 10.5901 413.814 -82.9451 -146.656 -82.9439 -122.624 GPRESSURE: 1218400 139.761 -15.6417 -145.17 88.2549 325.921 -67.9757 -63.3337 -52.1143 -106.7 PRESSAVG: 1218400 56.2976 -8.53318 30.3366 -8.53313 -49.9295 -111.668 30.3365 -111.668 8.12474 GPRESSAVG: 1218400 56.6532 -7.81004 30.5731 -10.6317 -50.3787 -113.63 29.9953 -109.12 8.55633 TIMING: 1218400 CPU: 3849.89, 0.00317193/step Wall: 3849.89, 0.00317193/step, 3.33194 hours remaining, 234.363281 MB of memory in use. ENERGY: 1218400 3980.4386 20486.2098 14522.5645 237.3536 -203382.9192 2510.3822 0.0000 0.0000 52062.2919 -109583.6786 299.2027 -161645.9705 -109209.0250 298.6052 97.0481 119.6608 761319.2457 4.8310 4.9436 PRESSURE: 1218600 -224.52 -104.555 81.3918 -104.554 55.3337 -457.741 81.3918 -457.739 -216.404 GPRESSURE: 1218600 -204.251 -136.733 110.236 -131.045 95.6436 -374.607 77.7188 -347.609 -206.059 PRESSAVG: 1218600 -37.7551 15.639 14.5605 15.6389 85.5731 -68.4539 14.5604 -68.4539 -2.49281 GPRESSAVG: 1218600 -37.5023 16.0854 15.1189 15.7854 85.5991 -68.1339 14.9578 -69.3806 -2.44397 TIMING: 1218600 CPU: 3850.53, 0.00316791/step Wall: 3850.53, 0.00316791/step, 3.32753 hours remaining, 234.363281 MB of memory in use. ENERGY: 1218600 3949.3839 20423.1701 14506.1379 242.3613 -203222.0415 2455.0931 0.0000 0.0000 52084.1974 -109561.6977 299.3286 -161645.8951 -109188.9601 299.2011 -128.5300 -104.8888 761858.3061 15.1084 15.2176 PRESSURE: 1218800 -165.405 247.203 -55.0611 247.203 499.786 310.659 -55.0613 310.659 24.499 GPRESSURE: 1218800 -48.572 211.307 -29.396 270.018 451.102 259.393 -61.5181 134.731 42.6893 PRESSAVG: 1218800 -29.4168 -21.1662 -19.8146 -21.1662 -19.9409 -70.1346 -19.8146 -70.1346 -7.85395 GPRESSAVG: 1218800 -30.2483 -22.2064 -20.8714 -19.9378 -19.5581 -69.5145 -20.1034 -70.488 -7.40658 TIMING: 1218800 CPU: 3851.16, 0.00317208/step Wall: 3851.16, 0.00317208/step, 3.33174 hours remaining, 234.363281 MB of memory in use. ENERGY: 1218800 3960.2106 20559.4029 14485.4836 230.8117 -203426.4617 2552.9786 0.0000 0.0000 51859.7263 -109777.8480 298.0386 -161637.5743 -109424.2588 298.4487 119.6267 148.4063 761774.5707 -19.0705 -19.0710 PRESSURE: 1219000 -147.746 305.051 -18.3355 305.051 -47.608 36.3952 -18.3359 36.3955 173.368 GPRESSURE: 1219000 -62.8164 363.485 15.8112 269.133 49.1554 31.098 -0.854723 11.6226 80.9761 PRESSAVG: 1219000 -7.06814 32.2775 -40.2135 32.2774 -8.02275 -6.41241 -40.2135 -6.41243 10.6553 GPRESSAVG: 1219000 -6.4443 31.8183 -37.778 30.6726 -7.74553 -7.52996 -39.8559 -5.89935 9.83631 TIMING: 1219000 CPU: 3851.8, 0.00317608/step Wall: 3851.8, 0.00317608/step, 3.33576 hours remaining, 234.363281 MB of memory in use. ENERGY: 1219000 3870.0827 20372.8460 14471.1159 266.0473 -202832.9543 2187.5528 0.0000 0.0000 51879.8774 -109785.4323 298.1544 -161665.3096 -109418.8882 298.0754 -7.3285 22.4384 761703.7135 -1.4785 -1.4512 PRESSURE: 1219200 320.942 123.173 6.22797 123.174 332.345 212.094 6.22734 212.093 -102.811 GPRESSURE: 1219200 363.166 80.6733 16.3622 108.961 308.641 236.003 -89.8811 3.36227 -34.2871 PRESSAVG: 1219200 -7.10596 8.43323 28.969 8.43326 21.8197 -13.9534 28.969 -13.9533 10.0077 GPRESSAVG: 1219200 -9.01094 8.34482 27.8916 8.54927 23.1617 -13.4635 29.0854 -14.9473 11.1809 TIMING: 1219200 CPU: 3852.44, 0.00318826/step Wall: 3852.44, 0.00318826/step, 3.34838 hours remaining, 234.363281 MB of memory in use. ENERGY: 1219200 3905.3556 20359.5661 14453.9074 264.3958 -203433.9035 2747.1652 0.0000 0.0000 51746.7081 -109956.8054 297.3890 -161703.5134 -109590.9281 298.1048 183.4919 212.5064 760222.2414 8.2405 8.4439 PRESSURE: 1219400 -156.354 78.6319 31.4691 78.6324 -48.9125 -480.604 31.4686 -480.604 -468.884 GPRESSURE: 1219400 -46.7456 104.592 -67.4161 4.42367 -42.2675 -533.136 118.925 -391.171 -483.616 PRESSAVG: 1219400 12.068 -31.541 10.393 -31.541 18.9452 14.9725 10.3929 14.9725 21.8524 GPRESSAVG: 1219400 13.9541 -29.9889 10.1859 -32.956 17.7939 16.4289 8.58815 14.651 20.7068 TIMING: 1219400 CPU: 3853.07, 0.00317424/step Wall: 3853.07, 0.00317424/step, 3.33348 hours remaining, 234.363281 MB of memory in use. ENERGY: 1219400 3884.2673 20252.8068 14460.3147 263.5824 -203441.2995 2679.7798 0.0000 0.0000 52055.0337 -109845.5147 299.1610 -161900.5485 -109472.5053 298.3622 -224.7166 -190.8764 761153.8904 17.6219 17.4849 PRESSURE: 1219600 -151.678 -120.698 -240.195 -120.698 -0.704785 38.8703 -240.194 38.8718 -102.013 GPRESSURE: 1219600 -50.2281 -95.4314 -308.523 -119.159 42.5071 75.9024 -123.111 64.5987 -161.867 PRESSAVG: 1219600 14.8106 8.34427 -2.38823 8.34434 28.9563 -31.7328 -2.38825 -31.7327 -14.7019 GPRESSAVG: 1219600 13.9 5.86475 -1.48354 9.06397 30.6975 -33.4562 0.707002 -31.6891 -15.359 TIMING: 1219600 CPU: 3853.7, 0.00315077/step Wall: 3853.7, 0.00315077/step, 3.30866 hours remaining, 234.363281 MB of memory in use. ENERGY: 1219600 3960.7386 20368.8841 14512.7730 259.0907 -203274.1602 2341.4692 0.0000 0.0000 52030.9686 -109800.2360 299.0227 -161831.2046 -109434.9254 298.4396 -84.7985 -56.5293 760733.8083 9.6883 9.7462 PRESSURE: 1219800 -18.4454 -107.492 -145.303 -107.492 13.5726 136.001 -145.304 135.999 187.722 GPRESSURE: 1219800 17.114 -65.6291 -158.954 -92.6437 -67.0908 142.139 -346.291 47.5588 291.65 PRESSAVG: 1219800 -0.563357 1.49813 -34.3534 1.49816 -22.8214 -62.0519 -34.3534 -62.0519 8.03923 GPRESSAVG: 1219800 -0.903352 2.7155 -34.9342 2.65022 -23.3402 -59.3648 -36.6582 -62.4998 9.01926 TIMING: 1219800 CPU: 3854.33, 0.00314702/step Wall: 3854.33, 0.00314702/step, 3.30455 hours remaining, 234.363281 MB of memory in use. ENERGY: 1219800 3940.8071 20452.0775 14492.3168 251.4938 -202988.9894 2287.2825 0.0000 0.0000 51804.8759 -109760.1357 297.7233 -161565.0116 -109395.6366 298.2692 60.9497 80.5578 761363.4786 -5.1152 -5.0747 PRESSURE: 1220000 -50.8861 235.755 110.308 235.756 -128.534 -112.393 110.308 -112.393 -198.383 GPRESSURE: 1220000 -28.3301 126.28 10.4136 204.702 -77.6161 -189.712 -11.203 -2.11503 -181.627 PRESSAVG: 1220000 -4.44175 -49.3455 -42.3379 -49.3455 60.493 15.3255 -42.3379 15.3256 -14.651 GPRESSAVG: 1220000 -3.51416 -47.9496 -43.6983 -50.0233 60.1711 13.487 -43.0701 14.8599 -15.1214 TIMING: 1220000 CPU: 3854.96, 0.00316401/step Wall: 3854.96, 0.00316401/step, 3.32221 hours remaining, 234.363281 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: 1220000 3992.4593 20522.3200 14509.2925 225.3757 -202924.0860 2137.4257 0.0000 0.0000 51820.2230 -109716.9897 297.8115 -161537.2127 -109358.0525 298.3456 -125.9344 -95.8579 761888.5310 13.8001 13.8452 PRESSURE: 1220200 -33.0557 -122.834 -81.1997 -122.833 -135.371 418.323 -81.1991 418.322 -107.571 GPRESSURE: 1220200 -1.86469 -86.8541 -52.5539 -200.266 -110.963 462.854 103.206 296.129 -65.5979 PRESSAVG: 1220200 17.0986 -32.2916 25.1408 -32.2917 14.555 -29.5113 25.1408 -29.5114 20.5238 GPRESSAVG: 1220200 17.4539 -33.0248 26.602 -31.8729 14.0412 -27.3314 24.1144 -29.9883 20.4742 TIMING: 1220200 CPU: 3855.6, 0.0031622/step Wall: 3855.6, 0.0031622/step, 3.32013 hours remaining, 234.363281 MB of memory in use. ENERGY: 1220200 3953.6225 20539.0610 14441.6377 245.0926 -203290.0070 2427.5969 0.0000 0.0000 51864.1553 -109818.8410 298.0640 -161682.9963 -109454.3891 298.3358 -91.9990 -59.4753 761472.0133 17.3925 17.3231 LDB: ============= START OF LOAD BALANCING ============== 3868.13 LDB: ============== END OF LOAD BALANCING =============== 3868.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3868.13 LDB: ============= START OF LOAD BALANCING ============== 3868.45 LDB: Largest compute 7037 load 0.030113 is 15.4% of average load 0.195303 LDB: Average compute 0.004395 is 2.3% of average load 0.195303 LDB: TIME 3868.45 LOAD: AVG 0.195303 MAX 0.219683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.418 MB LDB: TIME 3868.45 LOAD: AVG 0.195303 MAX 0.219683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: TIME 3868.45 LOAD: AVG 0.195303 MAX 0.214576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.562 MB LDB: ============== END OF LOAD BALANCING =============== 3868.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3868.46 PRESSURE: 1220400 -32.9099 -3.26486 106.183 -3.26442 48.3019 -67.3174 106.183 -67.3171 324.398 GPRESSURE: 1220400 49.2675 -130.416 116.504 2.6319 136.827 -42.6215 -48.4055 10.9573 256.552 PRESSAVG: 1220400 8.66962 -40.0084 56.5037 -40.0083 28.45 -16.2788 56.5037 -16.2789 12.6892 GPRESSAVG: 1220400 7.69344 -39.6096 55.9506 -40.5267 29.5766 -17.8461 59.4859 -14.2082 12.5647 TIMING: 1220400 CPU: 3856.25, 0.00324954/step Wall: 3856.25, 0.00324954/step, 3.41165 hours remaining, 232.675781 MB of memory in use. ENERGY: 1220400 3917.8535 20530.3722 14458.1937 221.7100 -203308.3328 2548.6826 0.0000 0.0000 51872.3997 -109759.1211 298.1114 -161631.5208 -109397.5297 298.6771 113.2632 147.5489 760620.4976 16.6029 16.6116 PRESSURE: 1220600 -149.128 8.35648 85.5726 8.35665 170.557 178.88 85.5736 178.88 47.7137 GPRESSURE: 1220600 -31.1543 72.021 87.0319 -0.255937 166.958 60.2515 21.3193 95.6514 36.9613 PRESSAVG: 1220600 -44.5332 -20.1828 46.5895 -20.1828 32.8229 -27.8042 46.5894 -27.8042 1.7079 GPRESSAVG: 1220600 -43.2529 -18.8818 46.1021 -20.1866 31.4388 -27.734 46.6018 -27.8382 1.51851 TIMING: 1220600 CPU: 3856.88, 0.00317076/step Wall: 3856.88, 0.00317076/step, 3.32877 hours remaining, 232.675781 MB of memory in use. ENERGY: 1220600 4013.0291 20524.7314 14462.9255 239.8689 -203130.6986 2451.4915 0.0000 0.0000 51882.6045 -109556.0477 298.1700 -161438.6522 -109196.5815 298.8893 23.0475 57.5884 759231.0280 -3.3341 -3.4319 PRESSURE: 1220800 77.6465 42.3777 124.08 42.3779 -114.639 38.5809 124.08 38.5813 266.787 GPRESSURE: 1220800 73.0894 -38.6584 179.983 31.031 44.0465 4.62544 203.366 12.281 205.969 PRESSAVG: 1220800 -5.68666 -48.5846 23.2252 -48.5846 20.4517 4.26699 23.2252 4.26685 19.7493 GPRESSAVG: 1220800 -5.61757 -50.5588 24.0517 -46.3765 20.4498 3.90527 20.2429 4.51799 19.4593 TIMING: 1220800 CPU: 3857.51, 0.00316922/step Wall: 3857.51, 0.00316922/step, 3.32698 hours remaining, 232.675781 MB of memory in use. ENERGY: 1220800 3977.2736 20605.1354 14434.5881 273.0464 -203038.3720 2187.8922 0.0000 0.0000 52002.3702 -109558.0661 298.8583 -161560.4364 -109195.4038 299.4229 76.5983 107.7016 760053.4431 11.5048 11.4305 PRESSURE: 1221000 140.646 -182.881 127.414 -182.881 -89.1213 -136.171 127.414 -136.172 153.133 GPRESSURE: 1221000 161.756 -153.754 134.762 -207.176 -52.2171 -173.435 110.832 -97.4277 170.035 PRESSAVG: 1221000 -5.12226 -41.9446 2.7177 -41.9445 -18.367 -26.1347 2.71772 -26.1348 4.92107 GPRESSAVG: 1221000 -5.81541 -42.4326 -0.0161552 -43.9681 -17.7647 -28.8808 7.34807 -24.1456 4.69704 TIMING: 1221000 CPU: 3858.15, 0.00316783/step Wall: 3858.15, 0.00316783/step, 3.32534 hours remaining, 232.675781 MB of memory in use. ENERGY: 1221000 3962.9148 20621.4243 14488.0399 244.3992 -203439.1465 2514.1170 0.0000 0.0000 52282.0394 -109326.2119 300.4656 -161608.2513 -108964.9170 299.6942 68.2193 93.1912 760265.4052 -6.1894 -6.2944 PRESSURE: 1221200 -52.1836 41.8875 53.866 41.8868 -405.032 -130.79 53.8656 -130.79 -627.782 GPRESSURE: 1221200 -99.4624 1.17483 66.5251 56.2903 -307.357 -95.8963 72.5757 -122.582 -593.435 PRESSAVG: 1221200 -35.9679 -10.9802 10.3384 -10.9802 21.925 -87.6303 10.3384 -87.6303 32.7118 GPRESSAVG: 1221200 -35.1677 -10.9017 13.9332 -8.35571 22.422 -85.2369 7.74271 -89.256 31.8555 TIMING: 1221200 CPU: 3858.78, 0.00317939/step Wall: 3858.78, 0.00317939/step, 3.3373 hours remaining, 232.675781 MB of memory in use. ENERGY: 1221200 4027.6586 20614.1919 14473.7292 252.0883 -203297.6168 2265.3341 0.0000 0.0000 52037.3519 -109627.2628 299.0594 -161664.6148 -109266.1721 299.4234 -361.6659 -333.4182 760679.4682 6.2230 6.3699 PRESSURE: 1221400 196.615 -28.4078 81.6223 -28.408 -33.7485 -218.919 81.6218 -218.92 -40.3354 GPRESSURE: 1221400 82.5091 4.19119 112.579 -84.8534 149.323 -199.261 -11.15 -285.72 -11.6089 PRESSAVG: 1221400 -16.6613 -27.6485 4.93083 -27.6485 -3.71049 -47.563 4.93079 -47.5629 5.17356 GPRESSAVG: 1221400 -18.1545 -30.3125 2.78638 -27.5624 -3.34494 -47.0143 4.81644 -49.6073 6.137 TIMING: 1221400 CPU: 3859.42, 0.00317206/step Wall: 3859.42, 0.00317206/step, 3.32943 hours remaining, 232.675781 MB of memory in use. ENERGY: 1221400 3900.9830 20541.8141 14456.3320 253.3496 -203350.6422 2476.7530 0.0000 0.0000 52203.5876 -109517.8229 300.0147 -161721.4104 -109138.6925 298.9029 40.8436 73.4076 760879.1346 -5.0661 -5.1208 PRESSURE: 1221600 167.84 -184.711 -131.153 -184.711 146.847 -53.0096 -131.152 -53.0098 -296.669 GPRESSURE: 1221600 272.653 -170.11 -197.002 -188.573 165.971 -99.0997 -94.881 -8.20613 -324.794 PRESSAVG: 1221600 3.53416 -52.7799 32.6545 -52.78 -3.29045 -58.3389 32.6546 -58.3388 -5.60842 GPRESSAVG: 1221600 5.23842 -51.8344 34.0329 -53.0752 -4.12423 -59.4232 30.707 -56.9344 -6.2995 TIMING: 1221600 CPU: 3860.05, 0.00317702/step Wall: 3860.05, 0.00317702/step, 3.33446 hours remaining, 232.675781 MB of memory in use. ENERGY: 1221600 4024.5173 20477.9489 14513.4530 269.5860 -203931.2734 2778.9789 0.0000 0.0000 52382.0797 -109484.7096 301.0405 -161866.7893 -109121.2412 299.2504 6.0060 37.9432 760671.5698 -1.7882 -1.7284 PRESSURE: 1221800 -236.674 122.22 138.277 122.219 44.2697 -281.711 138.276 -281.71 248.17 GPRESSURE: 1221800 -115.374 126.26 140.649 65.3834 28.3252 -216.346 69.1862 -200.797 216.327 PRESSAVG: 1221800 32.985 -70.5824 38.5071 -70.5824 17.3336 -37.0004 38.5072 -37.0003 -11.2502 GPRESSAVG: 1221800 32.6502 -68.7345 36.9044 -70.6076 17.3758 -35.8337 40.354 -36.193 -10.8755 TIMING: 1221800 CPU: 3860.69, 0.0031844/step Wall: 3860.69, 0.0031844/step, 3.34203 hours remaining, 232.675781 MB of memory in use. ENERGY: 1221800 3972.4085 20522.1892 14578.7088 260.3810 -203030.7205 2228.0486 0.0000 0.0000 51954.4541 -109514.5304 298.5830 -161468.9845 -109155.3464 299.5852 18.5885 43.0924 760533.1238 13.0228 13.0501 PRESSURE: 1222000 -413.49 -11.8529 -3.08943 -11.8527 15.0015 64.7491 -3.08925 64.7494 -11.6526 GPRESSURE: 1222000 -316.601 -41.7691 -32.5756 -49.1269 60.1644 70.6959 42.4512 34.0127 -62.6661 PRESSAVG: 1222000 18.6165 -15.065 40.4995 -15.0651 -16.4917 -23.3818 40.4995 -23.3818 -0.180963 GPRESSAVG: 1222000 18.0319 -13.5745 40.5351 -15.6507 -15.6561 -23.0867 41.5232 -23.8623 0.0880816 TIMING: 1222000 CPU: 3861.33, 0.00319019/step Wall: 3861.33, 0.00319019/step, 3.34793 hours remaining, 232.675781 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: 1222000 3979.7500 20599.8214 14589.0296 246.5323 -203734.1547 2804.6336 0.0000 0.0000 51942.2060 -109572.1818 298.5126 -161514.3878 -109202.9241 298.8323 -136.7136 -106.3676 760275.9008 0.6479 0.8213 PRESSURE: 1222200 -142.374 -96.5959 36.4906 -96.5956 -294.099 372.48 36.4909 372.479 -119.878 GPRESSURE: 1222200 -106.421 -107.891 65.94 -128.785 -276.362 338.062 -147.881 314.663 -102.24 PRESSAVG: 1222200 -7.71187 -29.5119 -7.81742 -29.5119 23.3101 21.1967 -7.81744 21.1967 -1.18791 GPRESSAVG: 1222200 -7.90172 -32.634 -7.02863 -29.8129 23.5948 20.5389 -11.0925 20.7524 -1.69695 TIMING: 1222200 CPU: 3861.96, 0.00317383/step Wall: 3861.96, 0.00317383/step, 3.33058 hours remaining, 232.675781 MB of memory in use. ENERGY: 1222200 3962.8595 20596.0598 14489.9735 238.3678 -203409.0998 2461.1614 0.0000 0.0000 52167.3386 -109493.3392 299.8064 -161660.6778 -109123.8081 298.9252 -185.4505 -161.6741 761212.9957 4.8034 4.6654 PRESSURE: 1222400 -84.5504 -6.62537 -77.1993 -6.62565 -30.9142 -255.712 -77.1999 -255.712 -145.701 GPRESSURE: 1222400 -6.08845 20.6928 -123.418 17.3451 -43.3183 -302.332 -154.737 -81.1437 -123.943 PRESSAVG: 1222400 55.6181 -3.91353 21.0641 -3.91349 -60.6759 22.6899 21.064 22.6899 -16.3577 GPRESSAVG: 1222400 55.6454 -1.93757 21.1582 -4.30028 -61.8489 23.8266 20.6575 20.8701 -15.5168 TIMING: 1222400 CPU: 3862.59, 0.00314306/step Wall: 3862.59, 0.00314306/step, 3.29812 hours remaining, 232.675781 MB of memory in use. ENERGY: 1222400 3987.5153 20477.1099 14454.9159 241.1883 -203370.7613 2657.6498 0.0000 0.0000 52117.2489 -109435.1331 299.5185 -161552.3820 -109075.5281 298.7502 -87.0552 -57.7831 761891.6642 -7.1385 -7.2401 PRESSURE: 1222600 132.465 -146.439 -68.6054 -146.439 215.253 6.75512 -68.6045 6.75624 370.485 GPRESSURE: 1222600 82.9938 -232.078 -88.9788 -233.593 293.389 61.4594 -53.5727 -7.65617 428.948 PRESSAVG: 1222600 48.5805 -37.6959 -26.7743 -37.6961 26.2505 21.1788 -26.7744 21.1788 -9.70244 GPRESSAVG: 1222600 47.0309 -37.416 -27.9282 -36.1054 27.8501 20.6712 -24.6063 22.2436 -9.97795 TIMING: 1222600 CPU: 3863.22, 0.00315875/step Wall: 3863.22, 0.00315875/step, 3.3144 hours remaining, 232.675781 MB of memory in use. ENERGY: 1222600 3940.4648 20333.8966 14483.3813 223.0992 -203280.3463 2788.4464 0.0000 0.0000 52029.8392 -109481.2188 299.0162 -161511.0580 -109121.2078 299.4374 239.4007 268.4437 759497.1842 21.7095 21.6344 PRESSURE: 1222800 63.8782 43.0383 -243.575 43.0391 98.6246 95.3199 -243.576 95.32 -37.728 GPRESSURE: 1222800 75.5206 -72.1202 -169.148 123.227 57.9458 81.297 -122.106 118.858 76.8475 PRESSAVG: 1222800 -40.6838 -28.3717 21.1205 -28.3717 45.9329 -38.3156 21.1205 -38.3156 4.73215 GPRESSAVG: 1222800 -38.4563 -30.145 20.9348 -28.6093 43.8404 -39.9733 20.997 -36.4133 4.70644 TIMING: 1222800 CPU: 3863.86, 0.003194/step Wall: 3863.86, 0.003194/step, 3.35122 hours remaining, 232.675781 MB of memory in use. ENERGY: 1222800 3922.7382 20561.0679 14443.3034 251.5435 -203339.8800 2489.9001 0.0000 0.0000 51992.7578 -109678.5691 298.8031 -161671.3268 -109307.6803 298.4882 41.5916 70.1047 760515.9398 3.3271 3.3635 PRESSURE: 1223000 361.227 -48.5392 -123.595 -48.5384 138.281 79.5787 -123.594 79.578 151.832 GPRESSURE: 1223000 345.099 95.1322 -95.0802 -25.8781 262.025 7.17299 -150.062 105.911 118.908 PRESSAVG: 1223000 -18.2427 -52.1336 -3.25885 -52.1336 32.2863 -12.3388 -3.25883 -12.3388 -9.03196 GPRESSAVG: 1223000 -19.1775 -49.9753 -0.192822 -51.9714 32.5362 -11.0268 -4.79809 -13.8967 -8.50308 TIMING: 1223000 CPU: 3864.5, 0.00320164/step Wall: 3864.5, 0.00320164/step, 3.35905 hours remaining, 232.675781 MB of memory in use. ENERGY: 1223000 3984.1197 20514.1464 14424.2729 245.0567 -203762.8422 2904.4268 0.0000 0.0000 52030.8055 -109660.0142 299.0218 -161690.8197 -109301.2046 298.7718 217.1133 242.0108 760236.2843 1.6705 1.6185 PRESSURE: 1223200 -205.537 87.3212 198.377 87.3218 -228.492 -107.903 198.376 -107.902 -216.31 GPRESSURE: 1223200 -229.4 47.9254 208.488 66.2327 -90.0743 -145.083 90.4541 -54.3531 -234.101 PRESSAVG: 1223200 43.2171 6.38145 -11.9037 6.38141 -7.66246 33.9343 -11.9037 33.9343 -14.0954 GPRESSAVG: 1223200 43.025 6.36411 -14.2614 6.05048 -7.22477 35.2116 -10.5992 32.8067 -13.9831 TIMING: 1223200 CPU: 3865.14, 0.00318082/step Wall: 3865.14, 0.00318082/step, 3.33703 hours remaining, 232.675781 MB of memory in use. ENERGY: 1223200 4065.6218 20477.9781 14487.1802 234.7807 -203490.1772 2628.1139 0.0000 0.0000 52207.0258 -109389.4768 300.0345 -161596.5026 -109022.9562 298.8895 -216.7794 -184.5252 761364.2094 7.1531 7.2724 PRESSURE: 1223400 -443.91 45.5174 65.9182 45.517 -165.752 -254.612 65.9177 -254.611 -94.1888 GPRESSURE: 1223400 -297.972 -105.36 109.063 -69.9053 -178.851 -239.759 -18.0297 -246.627 -130.64 PRESSAVG: 1223400 -3.89478 -17.862 36.5729 -17.862 -31.8639 8.48423 36.5729 8.48429 11.6336 GPRESSAVG: 1223400 -4.69147 -18.3944 35.3584 -19.355 -31.0914 7.04743 36.0055 10.5703 11.7123 TIMING: 1223400 CPU: 3865.77, 0.00317816/step Wall: 3865.77, 0.00317816/step, 3.33406 hours remaining, 232.675781 MB of memory in use. ENERGY: 1223400 3950.0356 20551.1082 14516.9268 256.8781 -203180.3383 2414.6239 0.0000 0.0000 52024.1735 -109466.5921 298.9836 -161490.7656 -109104.6223 299.1377 -234.6169 -202.4878 760752.9578 -8.0417 -8.0235 PRESSURE: 1223600 -560.504 48.1544 -168.717 48.1548 -261.913 185.264 -168.718 185.264 94.7775 GPRESSURE: 1223600 -482.059 142.928 -181.374 18.5468 -294.214 224.505 -112.418 148.365 110.562 PRESSAVG: 1223600 21.373 -21.672 12.3394 -21.672 12.6416 -26.4883 12.3394 -26.4882 -6.90091 GPRESSAVG: 1223600 22.9948 -21.062 13.2942 -20.8748 11.0164 -26.4092 13.6121 -28.0583 -7.39244 TIMING: 1223600 CPU: 3866.41, 0.00319275/step Wall: 3866.41, 0.00319275/step, 3.3492 hours remaining, 232.675781 MB of memory in use. ENERGY: 1223600 3941.6494 20460.6064 14485.9130 248.9343 -202874.0852 2219.7755 0.0000 0.0000 52266.2408 -109250.9657 300.3748 -161517.2065 -108887.6555 299.8238 -242.5463 -221.9038 762242.8246 9.0379 8.8729 PRESSURE: 1223800 -140.465 -47.4954 -33.8188 -47.4966 23.5051 61.1374 -33.818 61.1367 75.3693 GPRESSURE: 1223800 -82.2648 -38.2733 -90.401 -26.851 27.8156 -6.06265 2.03869 88.5598 85.2126 PRESSAVG: 1223800 1.61528 14.967 43.173 14.967 -10.5619 31.1285 43.1729 31.1286 1.28392 GPRESSAVG: 1223800 1.20495 15.0321 42.7753 15.152 -10.1054 32.3951 44.5759 30.5552 1.45834 TIMING: 1223800 CPU: 3867.05, 0.00318165/step Wall: 3867.05, 0.00318165/step, 3.33738 hours remaining, 232.675781 MB of memory in use. ENERGY: 1223800 3920.2519 20444.4684 14458.6060 243.0067 -202991.3535 2586.6952 0.0000 0.0000 52185.1785 -109153.1469 299.9089 -161338.3253 -108786.0922 299.5037 -13.8636 10.2545 761741.9724 -2.5542 -2.4807 PRESSURE: 1224000 99.6773 100.436 353.993 100.436 5.39407 84.9031 353.992 84.9023 -32.8229 GPRESSURE: 1224000 122.504 154.996 337.37 124.614 6.92362 136.605 349.006 85.5787 28.7958 PRESSAVG: 1224000 -22.2664 12.9737 -13.9092 12.9737 15.0197 -14.6713 -13.9092 -14.6713 5.83428 GPRESSAVG: 1224000 -21.487 12.5013 -13.9744 13.3746 14.6259 -16.9212 -16.1467 -12.1638 5.04694 TIMING: 1224000 CPU: 3867.68, 0.00317234/step Wall: 3867.68, 0.00317234/step, 3.32744 hours remaining, 232.675781 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: 1224000 3960.9966 20478.7003 14561.2930 234.3920 -203161.9867 2714.3025 0.0000 0.0000 52094.0507 -109118.2516 299.3852 -161212.3023 -108751.5502 300.0391 24.0828 52.7411 761037.9193 -0.4708 -0.6047 PRESSURE: 1224200 -203.594 -51.7963 95.8845 -51.7963 -210.349 -135.965 95.8838 -135.966 24.5256 GPRESSURE: 1224200 -186.414 -116.336 76.8474 19.4044 -263.2 -108.312 154.7 -133.982 150.299 PRESSAVG: 1224200 -0.0460601 5.72859 6.23491 5.72867 9.32248 14.2071 6.23495 14.2071 8.4209 GPRESSAVG: 1224200 -0.432059 4.79812 8.24867 5.79405 9.79967 14.777 3.97098 12.6571 8.11924 TIMING: 1224200 CPU: 3868.31, 0.00315709/step Wall: 3868.31, 0.00315709/step, 3.31126 hours remaining, 232.675781 MB of memory in use. ENERGY: 1224200 3925.0830 20550.8640 14527.1542 254.8734 -203259.4071 2555.4684 0.0000 0.0000 52121.4356 -109324.5284 299.5426 -161445.9641 -108964.6471 299.7302 -129.8057 -99.7714 761527.9229 5.8991 5.8289 LDB: ============= START OF LOAD BALANCING ============== 3880.85 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3880.85 LDB: =============== DONE WITH MIGRATION ================ 3880.85 LDB: ============= START OF LOAD BALANCING ============== 3881.17 LDB: Largest compute 7060 load 0.030763 is 15.7% of average load 0.195417 LDB: Average compute 0.004407 is 2.3% of average load 0.195417 LDB: TIME 3881.17 LOAD: AVG 0.195417 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.367 MB LDB: TIME 3881.17 LOAD: AVG 0.195417 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.367 MB LDB: TIME 3881.17 LOAD: AVG 0.195417 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.367 MB LDB: ============== END OF LOAD BALANCING =============== 3881.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3881.18 PRESSURE: 1224400 -60.3737 -323.345 -280.038 -323.345 20.3908 -48.3876 -280.038 -48.3872 75.5419 GPRESSURE: 1224400 76.9385 -214.9 -286.394 -247.125 3.70691 -0.454291 -180.513 -44.1472 55.6605 PRESSAVG: 1224400 46.8459 2.96785 -1.80648 2.96788 43.5708 39.4052 -1.80651 39.4053 -6.11264 GPRESSAVG: 1224400 46.7537 3.48019 -5.06223 4.92934 43.6751 39.6348 1.53122 40.2357 -5.40252 TIMING: 1224400 CPU: 3868.96, 0.00324201/step Wall: 3868.96, 0.00324201/step, 3.40015 hours remaining, 234.988281 MB of memory in use. ENERGY: 1224400 4034.7218 20463.5634 14466.4961 252.4222 -203366.0807 2636.6879 0.0000 0.0000 52305.6488 -109206.5405 300.6013 -161512.1893 -108839.7137 299.2862 11.8530 45.4353 760811.2431 28.1014 28.3421 PRESSURE: 1224600 364.62 -13.4888 41.8898 -13.4895 -32.8136 53.1197 41.8898 53.1207 422.438 GPRESSURE: 1224600 410.582 -115.978 37.2494 0.473828 52.9367 116.135 -70.2296 67.6469 386.691 PRESSAVG: 1224600 -14.9244 -14.2897 -20.3978 -14.2898 9.51185 16.0544 -20.3978 16.0544 11.0623 GPRESSAVG: 1224600 -14.0401 -14.1567 -17.2721 -17.4003 9.36027 16.6227 -21.6813 16.0558 10.7745 TIMING: 1224600 CPU: 3869.6, 0.00316282/step Wall: 3869.6, 0.00316283/step, 3.31693 hours remaining, 235.191406 MB of memory in use. ENERGY: 1224600 3941.8678 20534.2889 14474.6099 256.4205 -203601.5391 2878.2975 0.0000 0.0000 52205.5076 -109310.5471 300.0258 -161516.0547 -108933.9301 299.5449 251.4147 283.4033 761070.5927 1.8833 2.0315 PRESSURE: 1224800 -9.01017 26.5466 210.662 26.5474 178.566 156.249 210.663 156.249 -233.863 GPRESSURE: 1224800 113.379 46.8169 132.919 -47.1798 53.2125 275.008 270.41 45.9624 -161.781 PRESSAVG: 1224800 30.268 -65.1187 -7.34996 -65.1187 21.7661 17.5062 -7.34993 17.5062 -4.95897 GPRESSAVG: 1224800 29.7246 -64.8205 -10.9938 -64.6639 21.5948 17.244 -4.79791 20.4712 -4.02905 TIMING: 1224800 CPU: 3870.23, 0.0031747/step Wall: 3870.23, 0.0031747/step, 3.3292 hours remaining, 235.191406 MB of memory in use. ENERGY: 1224800 3956.1467 20703.8490 14514.2870 258.4952 -203189.4598 2527.0148 0.0000 0.0000 52030.4133 -109199.2537 299.0195 -161229.6671 -108851.9586 299.6854 -21.4357 1.6035 761519.8666 15.6917 15.7634 PRESSURE: 1225000 111.169 -119.521 87.6846 -119.522 236.984 42.3002 87.6848 42.3012 -69.5291 GPRESSURE: 1225000 210.362 -27.9683 32.8573 -139.529 304.639 86.3648 22.3727 2.49106 -154.392 PRESSAVG: 1225000 23.4398 -10.4081 -27.1362 -10.408 -23.4542 50.1368 -27.1362 50.1368 22.5399 GPRESSAVG: 1225000 23.2242 -8.37021 -25.0153 -11.394 -22.4141 51.5838 -29.6301 47.3655 21.6721 TIMING: 1225000 CPU: 3870.86, 0.00314773/step Wall: 3870.86, 0.00314773/step, 3.30074 hours remaining, 235.191406 MB of memory in use. ENERGY: 1225000 3939.1190 20607.5063 14552.1950 261.1782 -203179.3245 2572.0102 0.0000 0.0000 52012.7829 -109234.5329 298.9182 -161247.3158 -108871.7618 299.6453 92.8745 120.2031 761195.5208 7.5085 7.4941 PRESSURE: 1225200 -44.7362 148.565 -15.9299 148.564 -96.6334 90.4301 -15.9301 90.4308 194.977 GPRESSURE: 1225200 -16.1096 153.119 -71.1763 77.6219 -42.6961 153.683 58.8491 103.952 194.73 PRESSAVG: 1225200 -25.372 -2.36055 11.7834 -2.36059 12.9425 34.8746 11.7835 34.8746 -2.81538 GPRESSAVG: 1225200 -25.4635 -3.40021 11.9019 -1.58677 13.3391 34.2287 13.3101 34.8628 -3.03413 TIMING: 1225200 CPU: 3871.49, 0.00315287/step Wall: 3871.49, 0.00315287/step, 3.30596 hours remaining, 235.191406 MB of memory in use. ENERGY: 1225200 3949.6364 20531.3803 14502.3554 258.4930 -203335.0885 2726.4162 0.0000 0.0000 52105.0002 -109261.8071 299.4482 -161366.8073 -108890.0698 299.2369 17.8691 45.3081 762754.7500 -5.0816 -5.0528 PRESSURE: 1225400 -38.4876 -286.126 -408.31 -286.125 257.718 98.7501 -408.309 98.7494 13.808 GPRESSURE: 1225400 10.3634 -219.767 -391.726 -301.266 220.281 14.0295 -185.264 184.802 69.6295 PRESSAVG: 1225400 42.8129 -8.62833 13.5172 -8.62831 -41.3866 29.1371 13.5172 29.1371 7.27255 GPRESSAVG: 1225400 41.9915 -11.3855 14.2353 -8.05564 -42.4398 28.6373 12.325 29.9971 9.01225 TIMING: 1225400 CPU: 3872.12, 0.0031518/step Wall: 3872.12, 0.0031518/step, 3.30467 hours remaining, 235.191406 MB of memory in use. ENERGY: 1225400 4005.7691 20357.7494 14476.4779 255.9453 -203495.6575 2645.6491 0.0000 0.0000 52359.1876 -109394.8791 300.9090 -161754.0667 -109032.9718 299.1302 77.6795 100.0914 762581.6749 2.8996 2.8546 PRESSURE: 1225600 -197.394 32.9349 -105.643 32.9349 194.83 -315.358 -105.643 -315.357 -210.972 GPRESSURE: 1225600 -179.542 -8.8491 -140.533 75.6789 255.149 -341.976 -141.199 -234.852 -189.249 PRESSAVG: 1225600 -49.0979 -12.5885 -15.9379 -12.5886 36.3073 13.8032 -15.9379 13.8033 8.02095 GPRESSAVG: 1225600 -48.5065 -11.41 -18.2228 -11.788 36.8868 13.3396 -15.2971 14.8214 6.95894 TIMING: 1225600 CPU: 3872.75, 0.00317147/step Wall: 3872.75, 0.00317147/step, 3.32511 hours remaining, 235.191406 MB of memory in use. ENERGY: 1225600 4063.4056 20489.2244 14529.2468 236.2294 -203331.8922 2647.9948 0.0000 0.0000 51943.4326 -109422.3586 298.5196 -161365.7912 -109056.0724 299.3967 -71.1788 -37.8805 763047.7985 -1.5899 -1.5536 PRESSURE: 1225800 -331.14 -72.6015 127.62 -72.6016 -133.466 71.7792 127.621 71.7797 117.378 GPRESSURE: 1225800 -203.536 16.5211 176.383 14.5324 -109.119 183.252 215.273 -32.5595 41.5968 PRESSAVG: 1225800 -14.9748 -46.8479 -0.604446 -46.8479 -1.42398 10.6664 -0.604502 10.6665 9.40651 GPRESSAVG: 1225800 -14.643 -46.9564 -1.18389 -46.1102 -1.9395 12.7295 0.298831 11.1524 9.80237 TIMING: 1225800 CPU: 3873.39, 0.00316753/step Wall: 3873.39, 0.00316753/step, 3.32081 hours remaining, 235.191406 MB of memory in use. ENERGY: 1225800 4033.6424 20661.6376 14449.4535 264.4168 -203036.9010 2606.5107 0.0000 0.0000 51876.5727 -109144.6672 298.1354 -161021.2399 -108777.6947 299.2656 -115.7425 -90.3527 763093.4887 -2.3307 -2.2600 PRESSURE: 1226000 -165.291 -107.825 -50.0866 -107.826 181.094 -68.3658 -50.0871 -68.3664 -303.914 GPRESSURE: 1226000 -131.709 -81.0982 7.45413 -109.311 126.036 -44.6165 -114.463 -218.767 -187.897 PRESSAVG: 1226000 -7.06858 -11.3576 19.0801 -11.3576 -21.7182 9.56331 19.0802 9.56327 18.6173 GPRESSAVG: 1226000 -6.32278 -9.07924 19.8625 -12.8948 -21.8657 8.17518 18.8523 5.81132 17.4286 TIMING: 1226000 CPU: 3874.02, 0.00318241/step Wall: 3874.02, 0.00318241/step, 3.33622 hours remaining, 235.191406 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: 1226000 3987.5875 20637.9639 14468.5493 236.1340 -202918.9961 2489.4939 0.0000 0.0000 52138.4058 -108960.8618 299.6401 -161099.2676 -108587.7243 299.7668 -96.0370 -64.5234 761859.7317 -3.3898 -3.5866 PRESSURE: 1226200 4.94284 -130.842 196.791 -130.842 -81.6758 129.345 196.792 129.344 56.2289 GPRESSURE: 1226200 -12.6149 22.0757 179.605 -44.6731 -62.6825 108.557 153.733 39.8793 160.57 PRESSAVG: 1226200 52.3957 10.2958 9.69977 10.2959 -3.59655 19.4793 9.69984 19.4792 5.58128 GPRESSAVG: 1226200 50.5051 9.48894 9.84963 10.5391 -3.36327 20.1845 6.8944 19.8083 7.35446 TIMING: 1226200 CPU: 3874.65, 0.00314869/step Wall: 3874.65, 0.00314869/step, 3.3007 hours remaining, 235.191406 MB of memory in use. ENERGY: 1226200 4026.1490 20540.2021 14499.4412 237.0524 -203201.9713 2644.1721 0.0000 0.0000 52239.4233 -109015.5311 300.2207 -161254.9544 -108655.9920 299.8563 -6.8347 28.4241 763382.2664 18.1268 18.1654 PRESSURE: 1226400 -189.536 -9.35134 -94.9076 -9.35055 -100.638 96.5948 -94.9069 96.5953 -230.24 GPRESSURE: 1226400 -98.9875 -38.5309 -61.7545 35.0367 -49.7616 106.201 62.9731 93.1397 -289.583 PRESSAVG: 1226400 9.78804 28.087 43.219 28.087 -6.84185 56.5571 43.219 56.557 1.05329 GPRESSAVG: 1226400 10.1862 27.1941 44.773 28.223 -6.5363 55.6736 46.4811 57.7076 0.199548 TIMING: 1226400 CPU: 3875.29, 0.00318616/step Wall: 3875.29, 0.00318616/step, 3.3398 hours remaining, 235.191406 MB of memory in use. ENERGY: 1226400 4021.5917 20620.2786 14439.4386 245.4910 -202889.8153 2554.9193 0.0000 0.0000 52047.9182 -108960.1779 299.1201 -161008.0961 -108593.6915 299.7283 -173.4712 -146.1107 763433.0485 1.3332 1.2831 PRESSURE: 1226600 548.672 -194.934 215.736 -194.934 -17.1081 -274.304 215.738 -274.303 538.281 GPRESSURE: 1226600 585.292 -195.909 290.828 -179.155 83.3427 -234.671 243.451 -199.001 508.701 PRESSAVG: 1226600 4.88107 -34.3245 53.4147 -34.3245 35.8852 17.209 53.4147 17.209 -2.72161 GPRESSAVG: 1226600 4.53982 -36.0355 53.823 -33.2735 35.886 17.5903 52.3327 19.9474 -2.55677 TIMING: 1226600 CPU: 3875.93, 0.00320867/step Wall: 3875.93, 0.00320867/step, 3.36322 hours remaining, 235.191406 MB of memory in use. ENERGY: 1226600 3987.4349 20511.7755 14439.5314 227.2123 -202824.6732 2612.7843 0.0000 0.0000 52337.1684 -108708.7664 300.7824 -161045.9348 -108335.6854 300.6227 356.6150 392.4453 762713.1986 12.6816 12.6230 PRESSURE: 1226800 4.06507 143.081 38.8399 143.081 -32.5493 -75.6986 38.8403 -75.6989 42.0246 GPRESSURE: 1226800 76.5714 228.828 44.0532 142.513 15.9568 -112.522 34.7957 -88.2484 2.02096 PRESSAVG: 1226800 -5.19379 -33.4689 15.6734 -33.4689 17.2896 -61.1659 15.6734 -61.1659 -23.9665 GPRESSAVG: 1226800 -4.6079 -33.1744 13.8604 -34.9367 17.0079 -62.3617 16.2387 -62.5403 -23.6959 TIMING: 1226800 CPU: 3876.57, 0.00316936/step Wall: 3876.57, 0.00316936/step, 3.32184 hours remaining, 235.191406 MB of memory in use. ENERGY: 1226800 4027.2033 20475.5529 14509.9179 241.1115 -202899.9101 2372.7789 0.0000 0.0000 52577.4573 -108695.8883 302.1634 -161273.3455 -108322.2813 300.5122 4.5135 31.5164 761982.8440 -3.9569 -3.7653 PRESSURE: 1227000 -139.857 91.3287 -65.8225 91.3292 -349.873 -261.924 -65.8223 -261.925 -89.1188 GPRESSURE: 1227000 -157.854 4.3934 -53.7042 92.7411 -299.969 -277.932 -27.1169 -179.651 -24.6764 PRESSAVG: 1227000 24.9298 28.2396 -1.5701 28.2396 57.247 -46.9647 -1.57018 -46.9648 6.13415 GPRESSAVG: 1227000 26.1053 31.7326 -0.564361 26.4259 56.8407 -46.0102 -1.24053 -47.7719 5.4028 TIMING: 1227000 CPU: 3877.2, 0.0031628/step Wall: 3877.2, 0.0031628/step, 3.31479 hours remaining, 235.191406 MB of memory in use. ENERGY: 1227000 4074.4464 20618.0242 14471.6185 266.8937 -203136.8078 2638.6638 0.0000 0.0000 52127.0243 -108940.1368 299.5747 -161067.1611 -108571.3428 300.7685 -192.9496 -160.8330 763259.7832 29.4370 29.4496 PRESSURE: 1227200 -182.885 -64.9586 -25.0069 -64.9585 -231.341 252.741 -25.0069 252.741 -81.1084 GPRESSURE: 1227200 -103.198 -64.5157 -112.311 -10.9094 -287.782 274.517 -26.7567 219.852 -7.11385 PRESSAVG: 1227200 -35.6936 16.0334 -27.5715 16.0334 21.9084 -26.8974 -27.5714 -26.8973 14.9845 GPRESSAVG: 1227200 -34.958 14.9784 -28.4255 17.2512 21.9437 -26.2333 -25.6491 -26.2739 14.6472 TIMING: 1227200 CPU: 3877.84, 0.0031834/step Wall: 3877.84, 0.0031834/step, 3.33621 hours remaining, 235.191406 MB of memory in use. ENERGY: 1227200 3911.2849 20575.0817 14482.6379 245.2952 -202774.2953 2442.0212 0.0000 0.0000 52077.7134 -109040.2609 299.2913 -161117.9743 -108664.3787 299.9198 -165.1112 -132.6978 762155.2672 0.3997 0.5443 PRESSURE: 1227400 73.2474 -32.8653 130.048 -32.8659 21.1786 59.4066 130.047 59.4065 124.891 GPRESSURE: 1227400 163.84 -88.1851 143.375 -63.8362 67.9984 76.7971 128.217 163.202 77.2153 PRESSAVG: 1227400 20.1706 26.8812 60.1777 26.8812 -25.5374 -25.5179 60.1776 -25.518 18.1491 GPRESSAVG: 1227400 17.9628 25.6272 58.1839 27.2388 -24.0254 -26.6129 60.0114 -26.5097 18.5855 TIMING: 1227400 CPU: 3878.47, 0.00316078/step Wall: 3878.47, 0.00316078/step, 3.31232 hours remaining, 235.191406 MB of memory in use. ENERGY: 1227400 3997.4429 20465.4175 14398.5320 270.6693 -203104.6585 2498.4454 0.0000 0.0000 52346.9548 -109127.1967 300.8387 -161474.1514 -108752.4209 300.1162 73.1055 103.0179 762707.4450 4.2608 4.1743 PRESSURE: 1227600 -191.914 -61.0811 -109.367 -61.0809 -331.822 171.492 -109.369 171.493 -293.756 GPRESSURE: 1227600 -156.236 -39.8041 -29.9807 -29.2124 -273.678 149.952 -33.8145 112.751 -306.375 PRESSAVG: 1227600 8.86401 -5.63143 -28.1634 -5.63148 -25.5113 29.693 -28.1634 29.693 -29.5059 GPRESSAVG: 1227600 10.7784 -5.88696 -23.242 -5.62953 -26.4935 31.6878 -28.6075 30.6862 -29.738 TIMING: 1227600 CPU: 3879.1, 0.00317675/step Wall: 3879.1, 0.00317675/step, 3.32888 hours remaining, 235.191406 MB of memory in use. ENERGY: 1227600 4017.7396 20490.6165 14387.1735 258.7380 -203235.8161 2503.3259 0.0000 0.0000 52344.7118 -109233.5108 300.8258 -161578.2227 -108851.0655 300.4140 -272.4971 -245.4295 761616.5715 -15.3844 -15.1510 PRESSURE: 1227800 455.644 -9.79654 -108.85 -9.79621 -0.761807 -8.01175 -108.849 -8.0114 -192.225 GPRESSURE: 1227800 483.825 -64.3725 -37.0721 137.04 19.198 86.0702 -51.3058 -47.9693 -140.342 PRESSAVG: 1227800 27.1985 37.3323 -25.4126 37.3323 -12.1129 -17.0391 -25.4127 -17.0391 -15.3895 GPRESSAVG: 1227800 25.9689 37.2277 -26.3276 38.4921 -10.9788 -16.3634 -27.3195 -18.7556 -15.1863 TIMING: 1227800 CPU: 3879.74, 0.00318687/step Wall: 3879.74, 0.00318687/step, 3.33931 hours remaining, 235.191406 MB of memory in use. ENERGY: 1227800 4049.1241 20428.7580 14358.2425 253.1288 -203153.6939 2552.7165 0.0000 0.0000 52160.6985 -109351.0255 299.7683 -161511.7240 -108986.9893 299.3578 87.5524 120.8937 761233.9975 -0.1013 -0.0654 PRESSURE: 1228000 -11.5867 345.766 -181.895 345.766 17.5741 -49.7679 -181.896 -49.768 -222.384 GPRESSURE: 1228000 -45.0769 294.883 -202.15 253.257 -32.4844 -12.723 -40.7869 -150.105 -82.2154 PRESSAVG: 1228000 30.1 1.85167 -30.5728 1.85167 -42.4106 6.17873 -30.5728 6.17861 -7.80314 GPRESSAVG: 1228000 29.8431 1.07482 -33.6699 2.53896 -43.2105 5.69598 -28.9297 6.06838 -6.90672 TIMING: 1228000 CPU: 3880.39, 0.00322332/step Wall: 3880.39, 0.00322332/step, 3.37732 hours remaining, 235.191406 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: 1228000 3942.6517 20414.9524 14366.3306 239.0014 -202739.3023 2386.0548 0.0000 0.0000 51911.3983 -109478.9130 298.3355 -161390.3112 -109116.2996 298.8948 -72.1323 -53.2589 762097.0166 -6.7046 -6.7580 PRESSURE: 1228200 -270.751 27.3246 119.419 27.3247 -197.949 78.7223 119.419 78.7219 -97.9229 GPRESSURE: 1228200 -238.516 -29.1688 143.067 -72.094 -159 83.7841 28.9531 9.76184 -92.4146 PRESSAVG: 1228200 -19.0932 9.69052 -15.1613 9.69046 -31.4461 8.20374 -15.1613 8.20371 -16.6559 GPRESSAVG: 1228200 -18.9343 10.5919 -15.3939 5.94974 -31.7193 6.52234 -16.4132 7.50305 -16.3713 TIMING: 1228200 CPU: 3881.02, 0.00318716/step Wall: 3881.02, 0.00318716/step, 3.33926 hours remaining, 235.191406 MB of memory in use. ENERGY: 1228200 3955.2672 20271.7614 14391.6285 222.9530 -203089.3552 2441.6284 0.0000 0.0000 52181.6419 -109624.4748 299.8886 -161806.1167 -109252.3615 299.0508 -188.8742 -163.3103 763038.7503 -22.3984 -22.3416 LDB: ============= START OF LOAD BALANCING ============== 3893.56 LDB: ============== END OF LOAD BALANCING =============== 3893.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3893.56 LDB: ============= START OF LOAD BALANCING ============== 3893.88 LDB: Largest compute 7059 load 0.033230 is 17.0% of average load 0.195372 LDB: Average compute 0.004416 is 2.3% of average load 0.195372 LDB: TIME 3893.88 LOAD: AVG 0.195372 MAX 0.215157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.016 MB LDB: TIME 3893.88 LOAD: AVG 0.195372 MAX 0.215157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.219 MB LDB: TIME 3893.88 LOAD: AVG 0.195372 MAX 0.215157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.219 MB LDB: ============== END OF LOAD BALANCING =============== 3893.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3893.89 PRESSURE: 1228400 68.1897 -146.759 44.7111 -146.759 324.96 23.4437 44.7105 23.4439 196.015 GPRESSURE: 1228400 78.7473 -167.88 43.0564 -36.4567 336.112 58.7066 -1.33707 -90.5255 255.619 PRESSAVG: 1228400 -16.7648 -16.5189 -20.3845 -16.5189 -51.5594 -8.50494 -20.3844 -8.50489 10.5075 GPRESSAVG: 1228400 -17.3669 -16.1829 -19.2817 -13.7993 -50.2875 -5.7167 -22.0065 -6.16247 9.25952 TIMING: 1228400 CPU: 3881.67, 0.00323132/step Wall: 3881.67, 0.00323132/step, 3.38535 hours remaining, 232.992188 MB of memory in use. ENERGY: 1228400 4007.6698 20496.7544 14409.3055 236.0430 -203329.8684 2747.2755 0.0000 0.0000 51990.2295 -109442.5907 298.7886 -161432.8202 -109082.5682 298.1253 196.3882 223.4929 761171.3050 -19.2722 -19.4649 PRESSURE: 1228600 157.035 -7.65847 -7.77091 -7.65857 122.391 -49.5871 -7.77222 -49.5872 78.8061 GPRESSURE: 1228600 202.697 -53.8298 80.5039 32.007 167.754 -179.714 -70.4944 -17.889 81.1745 PRESSAVG: 1228600 8.71791 -3.12075 32.6432 -3.12084 11.1486 -15.6675 32.6431 -15.6675 -19.2329 GPRESSAVG: 1228600 8.11172 -4.84326 33.7195 -4.79261 10.9343 -16.5968 35.5664 -17.0357 -18.9367 TIMING: 1228600 CPU: 3882.31, 0.00317662/step Wall: 3882.31, 0.00317662/step, 3.32786 hours remaining, 232.992188 MB of memory in use. ENERGY: 1228600 4021.1436 20456.6574 14511.6898 241.7929 -203647.2785 2865.6071 0.0000 0.0000 51694.7814 -109855.6063 297.0906 -161550.3877 -109497.8691 298.2335 119.4107 150.5416 761659.7942 0.2112 0.0364 PRESSURE: 1228800 130.329 -214.409 44.1719 -214.41 -104.236 86.7869 44.1717 86.7867 -269.836 GPRESSURE: 1228800 185 -20.4348 160.505 -148.201 -99.3285 92.5509 41.3859 -15.0252 -212.51 PRESSAVG: 1228800 14.8285 -30.8758 7.11614 -30.8758 -9.70372 21.2347 7.1162 21.2347 3.71057 GPRESSAVG: 1228800 16.8467 -29.7043 5.79411 -29.9695 -10.5687 21.1114 4.46866 22.2922 2.91061 TIMING: 1228800 CPU: 3882.95, 0.00320811/step Wall: 3882.95, 0.00320811/step, 3.36067 hours remaining, 232.992188 MB of memory in use. ENERGY: 1228800 3923.8469 20504.0785 14444.9008 225.4106 -203085.2046 2310.6509 0.0000 0.0000 52053.1606 -109623.1564 299.1502 -161676.3170 -109268.0831 297.9605 -81.2476 -42.2797 760781.5704 2.9451 3.0629 PRESSURE: 1229000 190.433 147.55 -53.4533 147.551 122.515 -145.87 -53.4533 -145.87 89.2631 GPRESSURE: 1229000 236.659 78.634 -17.8064 148.694 59.6291 -187.305 22.9619 -77.7887 179.971 PRESSAVG: 1229000 46.9004 -0.421618 -3.75194 -0.421716 -8.09248 -1.46997 -3.75193 -1.47001 -17.5404 GPRESSAVG: 1229000 46.1744 -3.12674 -2.8637 0.661772 -8.55642 -1.65397 -2.99079 -2.85261 -16.5117 TIMING: 1229000 CPU: 3883.58, 0.00317817/step Wall: 3883.58, 0.00317817/step, 3.32913 hours remaining, 232.992188 MB of memory in use. ENERGY: 1229000 3957.7889 20579.7200 14505.4207 235.4134 -203297.8520 2400.1047 0.0000 0.0000 52020.2567 -109599.1477 298.9611 -161619.4043 -109232.0172 298.7864 134.0703 158.7530 761473.9766 7.0892 7.0354 PRESSURE: 1229200 -33.984 -74.3252 10.1194 -74.3251 -37.245 -103.166 10.1196 -103.167 -338.58 GPRESSURE: 1229200 19.2074 -21.7972 15.1475 -77.3042 -15.0624 -174.206 79.2962 -119.17 -317.583 PRESSAVG: 1229200 31.7116 64.8392 -1.76338 64.8392 -14.9491 14.4241 -1.76347 14.4241 -15.7342 GPRESSAVG: 1229200 30.9844 66.3215 -2.4357 65.3832 -15.3626 13.5709 -0.405083 15.5668 -14.602 TIMING: 1229200 CPU: 3884.22, 0.00318261/step Wall: 3884.22, 0.00318261/step, 3.33361 hours remaining, 232.992188 MB of memory in use. ENERGY: 1229200 4050.8166 20493.0012 14433.7032 227.4479 -203363.1950 2687.6004 0.0000 0.0000 51951.8249 -109518.8009 298.5679 -161470.6258 -109149.8064 298.5831 -136.6029 -104.4795 762355.7177 0.3428 0.3400 PRESSURE: 1229400 -22.4055 18.9157 -6.73728 18.9158 35.7051 -30.0816 -6.73788 -30.0818 155.234 GPRESSURE: 1229400 135.675 82.5358 -36.9785 194.036 13.3514 -49.4334 -110.488 21.13 110.472 PRESSAVG: 1229400 25.0886 21.2375 45.0689 21.2375 10.9392 16.9147 45.0689 16.9147 -11.4798 GPRESSAVG: 1229400 25.6699 21.7252 45.2827 20.1945 12.4763 17.9464 46.5985 16.825 -13.0707 TIMING: 1229400 CPU: 3884.86, 0.00319021/step Wall: 3884.86, 0.00319021/step, 3.34139 hours remaining, 232.992188 MB of memory in use. ENERGY: 1229400 3913.3236 20309.3469 14401.8586 242.9636 -202968.4203 2566.7623 0.0000 0.0000 52077.8820 -109456.2831 299.2923 -161534.1651 -109093.9075 298.8676 56.1777 86.4993 763175.6564 8.1827 8.3585 PRESSURE: 1229600 158.314 -77.2214 69.9263 -77.2209 145.676 75.711 69.9261 75.7118 -22.5572 GPRESSURE: 1229600 167.378 21.6683 35.9015 -104.053 77.7265 126.105 -10.1683 -6.06813 101.075 PRESSAVG: 1229600 -7.41303 13.0461 10.932 13.0462 10.637 -35.8313 10.932 -35.8313 3.66322 GPRESSAVG: 1229600 -8.29942 15.0078 11.9134 11.9754 11.6001 -35.0622 6.11928 -35.6925 3.68943 TIMING: 1229600 CPU: 3885.49, 0.00318355/step Wall: 3885.49, 0.00318355/step, 3.33424 hours remaining, 232.992188 MB of memory in use. ENERGY: 1229600 3941.5632 20386.6941 14586.8939 268.6299 -203309.6828 2663.6968 0.0000 0.0000 52216.0468 -109246.1582 300.0863 -161462.2050 -108884.4370 298.8097 93.8110 115.3934 763237.1738 2.2957 2.3300 PRESSURE: 1229800 109.869 -81.5206 44.8319 -81.5206 91.8523 -49.9953 44.8325 -49.9945 93.7978 GPRESSURE: 1229800 146.534 5.06045 72.7859 -83.7989 81.2065 -68.5144 69.6862 -90.2726 147.813 PRESSAVG: 1229800 -48.2257 -16.236 -62.2599 -16.236 10.124 28.3624 -62.2598 28.3623 3.65767 GPRESSAVG: 1229800 -47.1563 -16.0171 -63.1587 -17.489 9.60526 26.6478 -58.4955 29.212 4.0698 TIMING: 1229800 CPU: 3886.13, 0.00316837/step Wall: 3886.13, 0.00316837/step, 3.31817 hours remaining, 232.992188 MB of memory in use. ENERGY: 1229800 3973.8980 20582.7238 14507.9945 246.7838 -203368.1154 2871.8371 0.0000 0.0000 52060.7326 -109124.1457 299.1937 -161184.8783 -108760.4173 299.5858 98.5065 125.1845 762501.6010 -11.4814 -11.1604 PRESSURE: 1230000 -48.7896 17.7136 -39.0854 17.7136 -108.314 -125.79 -39.0851 -125.791 286.537 GPRESSURE: 1230000 -28.5293 64.3063 -46.2029 -11.5993 13.0443 -137.015 -127.734 -213.485 232.733 PRESSAVG: 1230000 64.7541 -4.44704 -29.2438 -4.44699 -68.8409 -4.24454 -29.2438 -4.24457 -2.627 GPRESSAVG: 1230000 64.1295 -4.51548 -29.7642 -4.55526 -68.7743 -3.99476 -31.3911 -5.55703 -2.18669 TIMING: 1230000 CPU: 3886.76, 0.00317403/step Wall: 3886.76, 0.00317403/step, 3.32392 hours remaining, 232.992188 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: 1230000 3992.7575 20638.9349 14544.2937 245.9470 -203463.7022 2873.9964 0.0000 0.0000 52038.1832 -109129.5895 299.0642 -161167.7728 -108758.7536 299.5005 43.1446 72.4161 763653.0393 -2.2379 -2.2772 PRESSURE: 1230200 66.9296 254.584 -139.302 254.584 -112.728 -89.002 -139.302 -89.0022 -362.429 GPRESSURE: 1230200 90.2225 148.003 -57.2728 231.154 -140.68 -43.303 -86.4024 -90.9473 -254.779 PRESSAVG: 1230200 76.7338 -5.85405 30.3887 -5.85407 -68.431 31.9702 30.3886 31.9701 -8.44041 GPRESSAVG: 1230200 77.8677 -8.7221 30.8392 -5.03773 -68.4437 32.6017 29.3318 32.2275 -9.57869 TIMING: 1230200 CPU: 3887.4, 0.00320504/step Wall: 3887.4, 0.00320505/step, 3.35622 hours remaining, 232.992188 MB of memory in use. ENERGY: 1230200 4040.2219 20577.5123 14493.5285 245.1204 -203242.4997 2793.1348 0.0000 0.0000 51943.1452 -109149.8366 298.5180 -161092.9818 -108792.5978 299.4955 -136.0757 -101.7454 763781.0991 -0.0459 -0.0516 PRESSURE: 1230400 227.781 -246.243 -146.818 -246.243 -222.356 21.8275 -146.818 21.8269 591.273 GPRESSURE: 1230400 263.932 -75.6906 -52.579 -64.5033 -223.124 -14.0894 -136.662 132.536 621.14 PRESSAVG: 1230400 64.1944 -7.3154 20.6116 -7.31538 -31.1628 23.6023 20.6116 23.6022 22.441 GPRESSAVG: 1230400 63.0637 -5.23712 20.7799 -6.49925 -30.0077 24.7387 23.3989 23.6038 22.4662 TIMING: 1230400 CPU: 3888.04, 0.00320261/step Wall: 3888.04, 0.00320261/step, 3.35349 hours remaining, 232.992188 MB of memory in use. ENERGY: 1230400 3993.4506 20560.1223 14502.1364 250.8191 -203278.9956 2689.4585 0.0000 0.0000 52017.5806 -109265.4281 298.9458 -161283.0087 -108906.0782 299.4571 198.8994 220.6493 760523.3035 18.4908 18.5074 PRESSURE: 1230600 110.981 -37.0546 58.7297 -37.0545 79.6665 -4.08439 58.7293 -4.08507 -130.047 GPRESSURE: 1230600 133.843 -8.05016 35.5853 4.8202 113.377 -19.7172 -10.5951 -81.0494 -109.837 PRESSAVG: 1230600 46.0668 -51.7702 -29.2334 -51.7701 -70.8103 7.34581 -29.2334 7.34582 4.96766 GPRESSAVG: 1230600 47.6366 -54.1179 -30.1877 -50.2464 -72.7234 6.51273 -29.9723 7.0247 5.86744 TIMING: 1230600 CPU: 3888.68, 0.00317174/step Wall: 3888.68, 0.00317174/step, 3.32098 hours remaining, 232.992188 MB of memory in use. ENERGY: 1230600 3953.3623 20639.8871 14477.1212 257.5537 -203646.6762 2807.2724 0.0000 0.0000 52184.6012 -109326.8784 299.9056 -161511.4796 -108970.9637 299.6865 20.2004 45.7945 761143.4488 -6.5920 -6.4065 PRESSURE: 1230800 -26.4462 -165.202 -5.89653 -165.203 -63.7133 -47.0488 -5.89609 -47.0489 132.958 GPRESSURE: 1230800 -79.3168 -146.425 -23.9861 -96.3016 53.116 -75.815 -37.836 -9.40558 170.101 PRESSAVG: 1230800 18.5625 -53.3901 3.66308 -53.3901 2.48141 -13.0762 3.66305 -13.0764 9.48655 GPRESSAVG: 1230800 17.3729 -53.6161 4.05028 -53.4619 4.07783 -12.9069 4.71902 -14.3505 9.31675 TIMING: 1230800 CPU: 3889.31, 0.00317747/step Wall: 3889.31, 0.00317747/step, 3.32681 hours remaining, 232.992188 MB of memory in use. ENERGY: 1230800 3866.8343 20399.1383 14426.3455 243.3110 -203565.1310 2888.0039 0.0000 0.0000 52077.0205 -109664.4775 299.2874 -161741.4980 -109299.0618 299.3637 14.2662 47.9668 760621.2195 10.1768 10.2558 PRESSURE: 1231000 -55.8311 38.7183 171.371 38.7184 -1.48677 -148.79 171.371 -148.79 363.334 GPRESSURE: 1231000 14.3156 -36.4345 266.433 -43.8037 -13.0715 -172.59 79.1545 -145.497 395.117 PRESSAVG: 1231000 40.655 -2.18562 -58.5155 -2.18563 -65.4452 -38.4285 -58.5155 -38.4285 -25.7922 GPRESSAVG: 1231000 40.0568 -2.42504 -58.5501 -4.01631 -64.0809 -40.4594 -62.6018 -35.945 -26.3646 TIMING: 1231000 CPU: 3889.94, 0.0031567/step Wall: 3889.94, 0.0031567/step, 3.30489 hours remaining, 232.992188 MB of memory in use. ENERGY: 1231000 3892.9911 20419.9213 14488.1175 245.3708 -203534.1136 2716.7524 0.0000 0.0000 51990.1540 -109780.8064 298.7881 -161770.9604 -109416.1892 298.6581 102.0054 132.1205 760930.8697 -16.8608 -16.7962 PRESSURE: 1231200 -34.8447 104.884 9.77588 104.884 -321.834 226.974 9.77543 226.974 -61.7452 GPRESSURE: 1231200 13.1217 74.2223 -44.6425 80.6309 -295.395 268.411 193.188 55.3034 -58.4809 PRESSAVG: 1231200 23.6885 -26.4307 -28.4998 -26.4306 -4.30968 -50.0632 -28.4996 -50.0632 -2.73667 GPRESSAVG: 1231200 23.5438 -24.6732 -28.5762 -27.138 -5.13846 -47.594 -26.198 -51.4039 -2.09867 TIMING: 1231200 CPU: 3890.58, 0.00317344/step Wall: 3890.58, 0.00317344/step, 3.32223 hours remaining, 232.992188 MB of memory in use. ENERGY: 1231200 4055.7712 20425.5508 14441.0838 246.7416 -203403.2298 2569.5472 0.0000 0.0000 52004.7574 -109659.7777 298.8721 -161664.5351 -109292.2399 298.6134 -139.4746 -113.5848 761502.3910 5.5474 5.4356 PRESSURE: 1231400 -24.4811 16.5882 -92.1398 16.5888 -8.16529 -173.374 -92.1404 -173.374 -22.2117 GPRESSURE: 1231400 21.1267 -60.3353 -42.0064 20.2773 69.522 -117.674 -51.4324 -184.624 -64.1854 PRESSAVG: 1231400 6.19334 -27.9615 23.6798 -27.9616 7.54178 -12.3313 23.6798 -12.3313 1.96031 GPRESSAVG: 1231400 4.96906 -29.0188 24.6208 -27.5256 8.40799 -13.1049 25.0056 -12.8458 2.1816 TIMING: 1231400 CPU: 3891.21, 0.00315441/step Wall: 3891.21, 0.00315441/step, 3.30214 hours remaining, 232.992188 MB of memory in use. ENERGY: 1231400 4003.6489 20463.7198 14543.1695 258.0039 -203231.1197 2516.6874 0.0000 0.0000 51875.3072 -109570.5831 298.1281 -161445.8902 -109214.2161 298.9808 -18.2860 8.8211 761102.0624 5.2318 5.1862 PRESSURE: 1231600 -127.418 -61.3309 132.205 -61.3313 44.6968 23.0649 132.205 23.0654 174.793 GPRESSURE: 1231600 -72.4593 31.9158 52.4072 -168.073 29.5635 25.2393 207.48 -3.01989 206.181 PRESSAVG: 1231600 38.5285 -47.2963 -36.4395 -47.2963 -20.5398 23.8109 -36.4394 23.8108 3.85093 GPRESSAVG: 1231600 40.1189 -46.8039 -38.1973 -48.034 -21.4766 22.8524 -36.3078 25.3724 3.10482 TIMING: 1231600 CPU: 3891.84, 0.00313505/step Wall: 3891.84, 0.00313505/step, 3.2817 hours remaining, 232.992188 MB of memory in use. ENERGY: 1231600 4038.6026 20415.0776 14484.9397 257.4623 -203396.1939 2765.6599 0.0000 0.0000 52083.7836 -109350.6682 299.3262 -161434.4519 -108983.7665 298.9912 30.6904 54.4284 760875.8829 7.2799 7.2490 PRESSURE: 1231800 -204.813 216.866 195.82 216.867 76.0932 -193.349 195.822 -193.349 -38.5908 GPRESSURE: 1231800 -113.254 129.054 184.779 271.99 55.4173 -229.852 240.427 -201.666 -25.6026 PRESSAVG: 1231800 -35.5088 14.1187 5.54548 14.1187 -21.3999 -8.00284 5.54549 -8.00287 16.4094 GPRESSAVG: 1231800 -36.1994 14.4031 5.14089 15.7147 -20.9709 -6.0849 5.33651 -9.16632 16.6626 TIMING: 1231800 CPU: 3892.47, 0.00315454/step Wall: 3892.47, 0.00315454/step, 3.30192 hours remaining, 232.992188 MB of memory in use. ENERGY: 1231800 4005.6313 20475.9075 14486.7354 269.7646 -203263.1671 2612.2188 0.0000 0.0000 52100.7291 -109312.1805 299.4236 -161412.9096 -108954.4197 299.3743 -55.7701 -27.8133 761372.2066 -13.4998 -13.5026 PRESSURE: 1232000 391.86 62.9692 -53.5624 62.9692 -299.556 -133.903 -53.5619 -133.902 56.8057 GPRESSURE: 1232000 357.758 110.586 20.5988 68.6857 -178.936 -189.493 -121.617 -116.692 48.5564 PRESSAVG: 1232000 -19.7922 -44.1771 -1.49073 -44.1771 1.38306 -61.781 -1.49079 -61.781 -5.97198 GPRESSAVG: 1232000 -21.2163 -45.2892 -0.31394 -44.1148 2.45465 -62.274 -3.56032 -60.9373 -5.79657 TIMING: 1232000 CPU: 3893.1, 0.00314896/step Wall: 3893.1, 0.00314896/step, 3.29591 hours remaining, 232.992188 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: 1232000 3961.0208 20435.6213 14421.8368 239.5529 -203172.0545 2585.4555 0.0000 0.0000 52009.8835 -109518.6837 298.9015 -161528.5672 -109159.6208 299.4110 49.7032 75.7928 762235.7324 -8.1270 -8.1861 PRESSURE: 1232200 -84.6725 -165.728 92.8501 -165.728 182.707 160.667 92.8497 160.666 35.8301 GPRESSURE: 1232200 39.0347 -114.376 140.687 -155.888 129.034 248.984 124.11 148.75 24.1038 PRESSAVG: 1232200 32.1614 29.4123 15.1235 29.4123 -16.3116 -31.1508 15.1234 -31.1508 43.7378 GPRESSAVG: 1232200 33.7636 31.0511 14.7228 28.6638 -17.646 -31.4882 17.0519 -31.104 43.405 TIMING: 1232200 CPU: 3893.73, 0.00314448/step Wall: 3893.73, 0.00314448/step, 3.29105 hours remaining, 232.992188 MB of memory in use. ENERGY: 1232200 3986.8021 20428.8159 14521.7813 267.9212 -203280.3414 2428.2110 0.0000 0.0000 52049.7498 -109597.0602 299.1306 -161646.8100 -109241.0446 298.7094 44.6214 64.0575 762475.0341 19.8625 19.8409 LDB: ============= START OF LOAD BALANCING ============== 3906.26 LDB: ============== END OF LOAD BALANCING =============== 3906.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3906.26 LDB: ============= START OF LOAD BALANCING ============== 3906.58 LDB: Largest compute 7060 load 0.031259 is 16.0% of average load 0.195451 LDB: Average compute 0.004415 is 2.3% of average load 0.195451 LDB: TIME 3906.58 LOAD: AVG 0.195451 MAX 0.213408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.426 MB LDB: TIME 3906.58 LOAD: AVG 0.195451 MAX 0.213408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: TIME 3906.58 LOAD: AVG 0.195451 MAX 0.213408 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.426 MB LDB: ============== END OF LOAD BALANCING =============== 3906.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3906.59 PRESSURE: 1232400 401.702 125.677 267.745 125.676 -119.55 44.5592 267.744 44.559 8.83807 GPRESSURE: 1232400 335.556 103.075 284.513 118.427 25.814 20.005 135.144 -14.8995 13.1611 PRESSAVG: 1232400 12.6654 -21.3736 -0.913216 -21.3736 19.2558 -20.1713 -0.913212 -20.1712 -26.3181 GPRESSAVG: 1232400 11.584 -22.4287 0.70716 -20.7391 19.3119 -18.6944 -3.35862 -21.347 -25.7078 TIMING: 1232400 CPU: 3894.37, 0.00322783/step Wall: 3894.37, 0.00322783/step, 3.37811 hours remaining, 232.734375 MB of memory in use. ENERGY: 1232400 4017.8044 20357.5375 14451.7079 272.9511 -203659.0943 2921.0484 0.0000 0.0000 52166.5733 -109471.4717 299.8020 -161638.0450 -109111.9775 298.9626 96.9967 124.8436 761532.2117 1.8677 1.7294 PRESSURE: 1232600 -89.2963 -1.74147 -58.6882 -1.73988 -25.5924 47.2201 -58.6883 47.2214 -167.616 GPRESSURE: 1232600 1.29374 -5.51619 -97.3964 189.378 -68.6206 77.2937 39.8387 15.6174 -130.409 PRESSAVG: 1232600 2.03076 -38.7104 1.12892 -38.7104 -12.3742 -16.1554 1.12894 -16.1553 0.981571 GPRESSAVG: 1232600 2.49963 -39.0553 -0.913041 -38.6216 -12.2422 -16.3629 1.07002 -17.6725 0.904103 TIMING: 1232600 CPU: 3895, 0.00315761/step Wall: 3895, 0.00315761/step, 3.30444 hours remaining, 232.937500 MB of memory in use. ENERGY: 1232600 4083.4102 20694.6662 14464.3306 242.9263 -203250.5970 2606.6656 0.0000 0.0000 51919.4274 -109239.1708 298.3817 -161158.5982 -108870.0081 299.0176 -94.1684 -65.9121 762060.6351 -3.1206 -2.9461 PRESSURE: 1232800 -362.971 -27.6879 17.3827 -27.6876 -46.5685 -64.1972 17.382 -64.1967 -212.984 GPRESSURE: 1232800 -259.625 74.6861 68.4339 1.64249 10.8243 -109.487 -54.3958 -36.5004 -272.209 PRESSAVG: 1232800 -10.1101 5.68487 -51.6826 5.6849 -23.9244 1.80484 -51.6826 1.80482 -3.09405 GPRESSAVG: 1232800 -9.79807 4.15713 -49.7834 5.14475 -23.8163 -0.178237 -50.9349 5.29889 -2.91114 TIMING: 1232800 CPU: 3895.63, 0.00314201/step Wall: 3895.63, 0.00314201/step, 3.28793 hours remaining, 232.937500 MB of memory in use. ENERGY: 1232800 3995.2678 20691.1152 14489.8276 246.2968 -203232.7422 2595.3360 0.0000 0.0000 52033.8908 -109181.0080 299.0395 -161214.8988 -108810.8440 299.5310 -207.5080 -173.6699 764013.3654 -12.3762 -12.1752 PRESSURE: 1233000 40.9072 128.143 101.52 128.143 -54.1932 -23.1283 101.519 -23.1281 -235.978 GPRESSURE: 1233000 76.0292 174.933 185.446 114.824 9.6363 -63.9557 151.595 -25.9539 -243.558 PRESSAVG: 1233000 -4.87018 -41.9995 -6.5025 -41.9995 -21.4197 24.0474 -6.50251 24.0474 36.0015 GPRESSAVG: 1233000 -4.16068 -40.1345 -6.20611 -43.4259 -21.4719 24.4776 -3.49748 25.2468 34.8839 TIMING: 1233000 CPU: 3896.26, 0.00315464/step Wall: 3896.26, 0.00315464/step, 3.30098 hours remaining, 233.003906 MB of memory in use. ENERGY: 1233000 4009.1805 20547.0853 14452.1798 260.0036 -203617.5299 2866.6335 0.0000 0.0000 52266.0020 -109216.4452 300.3734 -161482.4472 -108847.1372 299.4226 -83.0880 -52.6308 763677.3790 3.2372 3.0838 PRESSURE: 1233200 -264.076 -151.973 5.07383 -151.973 -11.4928 -254.96 5.07377 -254.96 -43.2813 GPRESSURE: 1233200 -156.797 -10.065 34.6622 -149.498 -50.2595 -184.47 -70.1802 -251.027 -24.5506 PRESSAVG: 1233200 31.5182 0.0527869 -14.7392 0.0527939 -5.57856 12.9621 -14.7392 12.9622 38.263 GPRESSAVG: 1233200 29.9164 0.108623 -16.0974 1.84658 -5.51674 12.7744 -16.4386 10.7766 39.5869 TIMING: 1233200 CPU: 3896.9, 0.00316211/step Wall: 3896.9, 0.00316211/step, 3.30862 hours remaining, 233.003906 MB of memory in use. ENERGY: 1233200 4070.9949 20609.0342 14406.0799 223.4993 -203314.8705 2711.8428 0.0000 0.0000 52197.2007 -109096.2188 299.9780 -161293.4195 -108734.7606 299.7904 -106.2835 -77.2024 762501.5008 21.4009 21.3288 PRESSURE: 1233400 391.714 45.7462 191.347 45.7463 67.9025 37.5017 191.348 37.5017 -115.685 GPRESSURE: 1233400 397.115 43.6426 131.803 15.1509 71.9765 53.7777 140.238 -62.8003 -32.4131 PRESSAVG: 1233400 53.5432 -15.1067 0.442863 -15.1067 -23.7432 -12.0804 0.442883 -12.0804 8.26341 GPRESSAVG: 1233400 54.5933 -15.336 0.431231 -17.8115 -23.4757 -11.5334 -0.262864 -11.4908 7.38289 TIMING: 1233400 CPU: 3897.53, 0.00314536/step Wall: 3897.53, 0.00314536/step, 3.29092 hours remaining, 233.003906 MB of memory in use. ENERGY: 1233400 3953.3399 20592.4884 14474.5735 250.9829 -203142.5775 2863.1875 0.0000 0.0000 52056.1208 -108951.8845 299.1672 -161008.0054 -108590.4760 300.1683 114.6440 145.5594 761254.2651 12.6878 12.8335 PRESSURE: 1233600 94.6233 12.4052 -106.5 12.4052 86.0218 -32.4515 -106.5 -32.4526 -96.6361 GPRESSURE: 1233600 122.797 72.9442 -181.125 -63.1782 115.812 -87.5815 -132.313 -40.1365 -73.3975 PRESSAVG: 1233600 -6.0093 -44.7826 21.8448 -44.7826 5.97888 -23.6514 21.8448 -23.6513 15.0699 GPRESSAVG: 1233600 -6.29864 -45.007 20.8511 -44.1562 5.41993 -23.4687 22.7731 -25.0581 15.815 TIMING: 1233600 CPU: 3898.15, 0.003148/step Wall: 3898.15, 0.003148/step, 3.29351 hours remaining, 233.003906 MB of memory in use. ENERGY: 1233600 3990.7079 20683.4100 14478.3170 243.9500 -202712.4446 2405.4626 0.0000 0.0000 52294.3134 -108616.2836 300.5361 -160910.5970 -108252.3927 300.2294 28.0030 55.0705 761991.8733 5.0132 4.9788 PRESSURE: 1233800 -2.68006 -73.6128 -80.4207 -73.6119 46.3662 114.844 -80.4199 114.845 149.485 GPRESSURE: 1233800 35.2731 -76.7809 -60.3283 -59.8313 131.29 56.0421 -136.382 -98.4372 137.868 PRESSAVG: 1233800 27.8843 -5.3093 -13.9744 -5.30925 35.2898 3.39255 -13.9745 3.39257 -15.3161 GPRESSAVG: 1233800 27.4809 -5.00369 -12.5392 -3.79339 35.8691 2.66516 -12.4152 3.6554 -15.4008 TIMING: 1233800 CPU: 3898.78, 0.00313753/step Wall: 3898.78, 0.00313753/step, 3.28238 hours remaining, 233.207031 MB of memory in use. ENERGY: 1233800 3966.7849 20633.1477 14505.1813 238.8743 -203206.0938 2835.6193 0.0000 0.0000 52221.6329 -108804.8534 300.1184 -161026.4864 -108442.0597 300.2156 64.3902 101.4772 761050.9825 15.9527 15.9831 PRESSURE: 1234000 111.223 134.707 28.5466 134.707 347.215 -112.642 28.5462 -112.643 325.922 GPRESSURE: 1234000 180.474 78.3619 53.6689 198.742 285.069 -95.8946 24.3016 -75.9479 393.667 PRESSAVG: 1234000 45.2124 -44.7267 -53.9568 -44.7268 -30.3137 -36.7401 -53.9569 -36.7402 20.6267 GPRESSAVG: 1234000 45.0816 -44.8889 -54.3398 -46.6607 -29.8107 -36.8376 -55.5632 -36.808 20.4169 TIMING: 1234000 CPU: 3899.41, 0.00312328/step Wall: 3899.41, 0.00312328/step, 3.2673 hours remaining, 233.207031 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: 1234000 3910.1764 20650.2053 14371.7072 254.2445 -203136.6382 2859.9087 0.0000 0.0000 52145.9416 -108944.4545 299.6834 -161090.3961 -108580.9085 300.5921 261.4533 286.4035 762486.6484 11.8418 11.8959 PRESSURE: 1234200 -64.5583 73.0776 82.3858 73.0771 70.115 -92.6003 82.386 -92.6 69.683 GPRESSURE: 1234200 -26.3693 94.8883 -21.2864 -4.08693 102.513 -15.2611 66.212 20.184 75.5349 PRESSAVG: 1234200 25.144 48.9706 -16.8676 48.9706 -33.748 -46.1115 -16.8676 -46.1115 9.04603 GPRESSAVG: 1234200 24.6193 47.7269 -17.4462 51.459 -33.0807 -45.1229 -15.6513 -45.87 8.90492 TIMING: 1234200 CPU: 3900.04, 0.00314277/step Wall: 3900.04, 0.00314277/step, 3.28752 hours remaining, 233.207031 MB of memory in use. ENERGY: 1234200 3974.0943 20508.5979 14456.2240 225.7187 -202786.9424 2511.3311 0.0000 0.0000 52372.2334 -108738.7429 300.9839 -161110.9763 -108374.4379 300.0901 25.0799 50.5595 763746.7287 0.1473 0.1479 PRESSURE: 1234400 -75.0589 90.1469 78.3741 90.1472 -138.753 44.598 78.3736 44.5967 -63.7727 GPRESSURE: 1234400 -49.556 31.7571 63.7985 69.2211 -121.597 124.555 58.1558 -41.7396 -26.232 PRESSAVG: 1234400 -4.54349 -20.4638 -32.1625 -20.4639 32.2017 -27.0089 -32.1625 -27.0089 -17.4605 GPRESSAVG: 1234400 -3.95591 -19.5969 -30.4432 -21.3161 30.8055 -26.5073 -32.9927 -27.5231 -16.4975 TIMING: 1234400 CPU: 3900.66, 0.0031459/step Wall: 3900.66, 0.0031459/step, 3.29061 hours remaining, 233.207031 MB of memory in use. ENERGY: 1234400 3953.4775 20451.4322 14441.6003 247.9817 -202569.4422 2336.5515 0.0000 0.0000 52257.8377 -108880.5612 300.3265 -161138.3989 -108502.5566 300.1883 -92.5283 -65.7952 764007.7630 3.3992 3.4507 PRESSURE: 1234600 -51.9384 -106.279 35.7939 -106.279 -309.863 359.934 35.7944 359.933 -64.1601 GPRESSURE: 1234600 -77.1599 -32.6217 50.9646 -83.7298 -234.799 194.005 76.0556 240.073 -29.6461 PRESSAVG: 1234600 49.6534 13.7324 -23.4319 13.7324 -63.81 -10.0689 -23.432 -10.0688 4.92839 GPRESSAVG: 1234600 49.3495 12.9248 -24.6159 13.8473 -63.4527 -11.2115 -23.0942 -9.18682 4.54474 TIMING: 1234600 CPU: 3901.29, 0.00314702/step Wall: 3901.29, 0.00314702/step, 3.29161 hours remaining, 233.207031 MB of memory in use. ENERGY: 1234600 3955.0171 20358.6079 14585.8430 256.4788 -202924.2867 2723.3540 0.0000 0.0000 51959.0409 -109085.9450 298.6093 -161044.9859 -108724.6078 300.0648 -141.9871 -113.8683 763788.9638 -3.0761 -3.1862 PRESSURE: 1234800 246.647 269.656 -55.5495 269.655 -28.0954 -93.7375 -55.5497 -93.738 17.0491 GPRESSURE: 1234800 165.752 168.95 29.0766 195.056 -15.7166 -111.71 23.5271 -102.762 166.751 PRESSAVG: 1234800 -3.33511 36.7601 -2.83578 36.7601 -25.8629 11.1813 -2.83574 11.1813 35.47 GPRESSAVG: 1234800 -2.73942 36.3593 -1.91438 35.4579 -27.2836 10.983 0.170654 10.325 35.8061 TIMING: 1234800 CPU: 3901.93, 0.00317743/step Wall: 3901.93, 0.00317743/step, 3.32324 hours remaining, 233.207031 MB of memory in use. ENERGY: 1234800 3927.7508 20303.7839 14499.2797 264.5699 -203182.5943 2792.8429 0.0000 0.0000 52195.3599 -109199.0074 299.9675 -161394.3672 -108832.7028 299.1906 78.5337 105.5953 762227.5570 2.0907 1.9277 PRESSURE: 1235000 238.445 -197.594 29.3952 -197.594 139.11 8.14675 29.3952 8.14756 -176.834 GPRESSURE: 1235000 328.944 -197.195 56.1869 -187.793 140.332 19.5272 -97.6027 -70.6263 -183.512 PRESSAVG: 1235000 -14.1039 -29.965 0.383547 -29.965 91.6728 -3.13836 0.383504 -3.13847 5.84519 GPRESSAVG: 1235000 -13.5952 -27.6798 -0.625989 -29.0821 92.4712 -2.06485 -1.96515 -2.37328 4.21818 TIMING: 1235000 CPU: 3902.56, 0.00316299/step Wall: 3902.56, 0.00316299/step, 3.30796 hours remaining, 233.207031 MB of memory in use. ENERGY: 1235000 4026.4662 20511.2295 14462.1661 261.6381 -202968.1003 2605.0860 0.0000 0.0000 52137.2677 -108964.2468 299.6336 -161101.5145 -108606.2163 299.9820 66.9069 95.2544 762377.2982 27.8047 27.6981 PRESSURE: 1235200 1.88113 25.64 -57.1387 25.6397 -206.447 -32.8788 -57.1387 -32.8785 20.882 GPRESSURE: 1235200 37.6055 56.2179 -124.627 -40.5767 -111.566 13.6675 -98.2868 -51.5014 -32.4871 PRESSAVG: 1235200 11.7253 -10.41 8.03853 -10.41 6.4647 -16.0832 8.03854 -16.0833 -16.4063 GPRESSAVG: 1235200 12.686 -10.9663 8.08918 -10.903 5.25371 -16.5574 8.51922 -16.0013 -16.3289 TIMING: 1235200 CPU: 3903.2, 0.00316751/step Wall: 3903.2, 0.00316751/step, 3.31251 hours remaining, 233.207031 MB of memory in use. ENERGY: 1235200 4066.7169 20636.1620 14469.0153 255.7306 -202610.5790 2172.7491 0.0000 0.0000 52061.2098 -108948.9952 299.1965 -161010.2050 -108590.7284 299.9974 -61.2281 -35.4826 763388.6207 0.5946 0.5369 PRESSURE: 1235400 -297.561 73.2485 -54.2995 73.2477 -90.5823 49.0883 -54.299 49.0885 -282.38 GPRESSURE: 1235400 -144.852 23.9981 -99.6886 61.4973 -131.242 97.0459 2.87037 138.761 -299.339 PRESSAVG: 1235400 14.2955 -2.17463 -3.05444 -2.17464 -53.5969 -18.6088 -3.05436 -18.6088 24.6257 GPRESSAVG: 1235400 13.602 -2.13932 -3.44824 -1.78452 -52.7396 -18.4404 -3.76091 -15.8161 24.2598 TIMING: 1235400 CPU: 3903.83, 0.00317045/step Wall: 3903.83, 0.00317045/step, 3.31541 hours remaining, 233.207031 MB of memory in use. ENERGY: 1235400 3982.1987 20567.1256 14438.9294 234.8191 -203098.8210 2694.8840 0.0000 0.0000 52324.0846 -108856.7796 300.7072 -161180.8642 -108489.1580 300.6577 -223.5079 -191.8108 763435.7982 -4.8919 -4.9592 PRESSURE: 1235600 115.413 -170.682 132.312 -170.682 71.6795 98.8756 132.312 98.8755 -92.7293 GPRESSURE: 1235600 32.9522 -207.835 67.8118 -232.907 109.902 -5.84411 135.241 106.572 9.85564 PRESSAVG: 1235600 89.228 -15.657 16.305 -15.6569 -47.5268 7.47716 16.305 7.47714 -12.1445 GPRESSAVG: 1235600 88.47 -15.5945 16.5625 -17.199 -47.3444 7.31725 18.9829 5.47076 -11.1689 TIMING: 1235600 CPU: 3904.46, 0.00316183/step Wall: 3904.46, 0.00316183/step, 3.30622 hours remaining, 233.207031 MB of memory in use. ENERGY: 1235600 3967.8205 20632.1468 14400.6722 256.6536 -203170.6309 2718.2161 0.0000 0.0000 52416.6039 -108778.5177 301.2389 -161195.1216 -108415.5894 300.7404 31.4545 50.9033 761811.5390 9.8522 9.9856 PRESSURE: 1235800 75.8355 -62.44 13.5346 -62.4392 -104.288 -139.183 13.5348 -139.183 1.38775 GPRESSURE: 1235800 106.873 -95.0044 -56.6594 -9.26835 -96.1144 -114.359 47.8885 -14.0792 46.2879 PRESSAVG: 1235800 35.5914 -26.6753 24.2733 -26.6753 -35.674 25.666 24.2733 25.666 25.2712 GPRESSAVG: 1235800 36.3085 -25.2257 24.7195 -26.0605 -36.2983 25.7901 20.81 26.0325 25.0761 TIMING: 1235800 CPU: 3905.09, 0.00314056/step Wall: 3905.09, 0.00314056/step, 3.28381 hours remaining, 233.207031 MB of memory in use. ENERGY: 1235800 4048.6279 20564.1394 14442.7533 241.3302 -203183.1821 2767.8060 0.0000 0.0000 52421.4809 -108697.0445 301.2670 -161118.5254 -108320.8925 300.9806 -9.0217 19.0155 764336.4272 8.3962 8.3621 PRESSURE: 1236000 -93.0378 -68.4252 3.8816 -68.4242 -212.435 -130.766 3.88044 -130.765 136.109 GPRESSURE: 1236000 -32.009 -40.2353 -78.5745 -89.0463 -167.321 -107.473 -8.18459 -85.1848 129.299 PRESSAVG: 1236000 44.4465 8.85588 4.51593 8.85583 -49.7976 31.2104 4.51589 31.2104 6.46586 GPRESSAVG: 1236000 43.4384 6.74488 3.69871 10.6725 -48.1438 30.9175 4.92725 30.1014 6.02003 TIMING: 1236000 CPU: 3905.72, 0.00315611/step Wall: 3905.72, 0.00315611/step, 3.29989 hours remaining, 233.207031 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: 1236000 4004.5742 20495.3774 14412.5960 245.5784 -203053.4091 2778.4592 0.0000 0.0000 52323.9740 -108792.8499 300.7066 -161116.8239 -108425.7599 300.7169 -56.4547 -23.3437 764688.8869 0.3716 0.4382 PRESSURE: 1236200 -122.164 94.4832 -99.5729 94.4832 -213.987 -41.5038 -99.5727 -41.5036 -200.946 GPRESSURE: 1236200 -222.194 -17.389 -107.288 215.632 -104.47 -110.532 -11.6792 18.2522 -116.759 PRESSAVG: 1236200 25.3742 -4.20531 -40.0921 -4.20524 -31.1448 -20.0968 -40.0921 -20.0968 -0.499174 GPRESSAVG: 1236200 26.3937 -3.94265 -39.3566 -4.25071 -31.1513 -20.8188 -40.7529 -19.1313 -1.11796 TIMING: 1236200 CPU: 3906.35, 0.00314444/step Wall: 3906.35, 0.00314444/step, 3.28751 hours remaining, 233.207031 MB of memory in use. ENERGY: 1236200 3957.1632 20585.8906 14533.8008 232.0354 -203062.7198 2501.0392 0.0000 0.0000 52245.8318 -109006.9589 300.2575 -161252.7906 -108641.5855 300.2964 -179.0325 -147.8077 762922.4454 -2.0899 -1.9585 LDB: ============= START OF LOAD BALANCING ============== 3918.88 LDB: ============== END OF LOAD BALANCING =============== 3918.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3918.89 LDB: ============= START OF LOAD BALANCING ============== 3919.2 LDB: Largest compute 7060 load 0.032313 is 16.5% of average load 0.195419 LDB: Average compute 0.004395 is 2.2% of average load 0.195419 LDB: TIME 3919.21 LOAD: AVG 0.195419 MAX 0.215658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.801 MB LDB: TIME 3919.21 LOAD: AVG 0.195419 MAX 0.215658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.004 MB LDB: TIME 3919.21 LOAD: AVG 0.195419 MAX 0.215658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.004 MB LDB: ============== END OF LOAD BALANCING =============== 3919.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3919.21 PRESSURE: 1236400 -12.5761 122.07 -171.025 122.069 -299.032 193.341 -171.025 193.341 -14.3145 GPRESSURE: 1236400 -36.9298 126.305 -192.608 224.306 -156.406 130.351 -175.788 211.915 -56.3879 PRESSAVG: 1236400 15.1446 24.2163 7.81101 24.2163 -14.9698 2.56965 7.81104 2.56976 6.82364 GPRESSAVG: 1236400 13.6229 24.3707 6.45885 24.3108 -15.6217 3.07497 8.66932 1.91242 8.71465 TIMING: 1236400 CPU: 3907, 0.00323731/step Wall: 3907, 0.00323731/step, 3.38442 hours remaining, 231.855469 MB of memory in use. ENERGY: 1236400 3945.9990 20564.3805 14409.0146 257.2528 -203182.4613 2755.6826 0.0000 0.0000 52024.6224 -109225.5094 298.9862 -161250.1318 -108860.8862 299.4411 -108.6410 -83.2414 764847.3851 2.3328 2.2386 PRESSURE: 1236600 -90.0702 105.253 -66.6101 105.253 -5.23368 -39.4056 -66.6092 -39.4053 33.0628 GPRESSURE: 1236600 -157.719 289.337 -148.058 152.459 85.5694 -29.3191 -69.7343 -116.142 72.2526 PRESSAVG: 1236600 -11.1414 -25.5288 -1.21681 -25.5288 14.9255 11.4683 -1.21679 11.4683 1.65905 GPRESSAVG: 1236600 -10.483 -27.6734 -0.753153 -23.4854 14.6064 10.0406 -0.982917 12.3406 0.70313 TIMING: 1236600 CPU: 3907.63, 0.00318115/step Wall: 3907.63, 0.00318115/step, 3.32554 hours remaining, 231.855469 MB of memory in use. ENERGY: 1236600 3955.6644 20449.4165 14485.3171 235.4528 -203154.8608 2891.8554 0.0000 0.0000 52038.3234 -109098.8312 299.0650 -161137.1546 -108740.2400 299.5119 -20.7470 0.0342 764395.2477 1.8144 1.6089 PRESSURE: 1236800 -72.442 139.137 200.248 139.136 -60.4584 -309.802 200.248 -309.802 163.135 GPRESSURE: 1236800 -80.9922 184.199 143.604 92.1034 6.13634 -250.408 258.374 -219.921 188.551 PRESSAVG: 1236800 23.0243 19.7093 -38.1824 19.7093 3.23195 1.3839 -38.1824 1.38395 -16.2825 GPRESSAVG: 1236800 23.9102 21.9461 -36.3742 17.1147 3.16149 0.874875 -39.4063 1.05162 -16.7934 TIMING: 1236800 CPU: 3908.27, 0.00317638/step Wall: 3908.27, 0.00317638/step, 3.32038 hours remaining, 231.855469 MB of memory in use. ENERGY: 1236800 4010.8578 20469.8996 14361.0538 245.3907 -202933.0721 2771.0022 0.0000 0.0000 51923.9085 -109150.9595 298.4074 -161074.8680 -108788.7923 299.7399 10.0784 37.8983 763476.8413 3.3246 3.4261 PRESSURE: 1237000 -11.8194 -40.0674 -45.6383 -40.0676 144.883 45.7889 -45.6384 45.7884 -110.259 GPRESSURE: 1237000 51.4251 -46.1996 -64.4552 26.9588 158.911 102.09 143.387 -17.9298 -98.2631 PRESSAVG: 1237000 -23.073 43.5 -54.2975 43.5001 -11.5625 21.8693 -54.2975 21.8692 1.77482 GPRESSAVG: 1237000 -22.4868 43.3449 -54.8376 42.3508 -12.735 22.6321 -51.5105 21.0435 2.04933 TIMING: 1237000 CPU: 3908.9, 0.00316591/step Wall: 3908.9, 0.00316591/step, 3.30925 hours remaining, 231.855469 MB of memory in use. ENERGY: 1237000 3891.3668 20540.3509 14428.9077 244.9664 -203411.1675 2534.0839 0.0000 0.0000 52637.2384 -109134.2533 302.5069 -161771.4917 -108764.3096 299.7035 7.6013 37.3577 762040.3238 -10.9536 -11.0575 PRESSURE: 1237200 -109.891 -41.8407 -50.7805 -41.8408 -308.496 -267.996 -50.7808 -267.995 -279.009 GPRESSURE: 1237200 -169.764 0.302905 -114.177 -18.104 -241.078 -211.244 -126.132 -309.563 -185.728 PRESSAVG: 1237200 -9.60319 22.043 -24.469 22.043 -13.5311 -14.3278 -24.469 -14.3278 6.75456 GPRESSAVG: 1237200 -9.96375 22.1835 -25.6579 22.6599 -12.9091 -13.5302 -26.267 -14.6752 6.84634 TIMING: 1237200 CPU: 3909.54, 0.00317348/step Wall: 3909.54, 0.00317348/step, 3.31699 hours remaining, 231.855469 MB of memory in use. ENERGY: 1237200 3914.7093 20563.5428 14433.4871 218.3554 -202869.3475 2128.4198 0.0000 0.0000 52382.2692 -109228.5639 301.0416 -161610.8331 -108865.8959 299.8815 -232.4655 -198.8565 762412.3418 -5.4599 -5.3422 PRESSURE: 1237400 -398.844 186.042 -249.614 186.043 -25.5392 -66.8462 -249.614 -66.846 390.429 GPRESSURE: 1237400 -253.571 194.876 -204.09 121.93 -67.564 86.6804 -208.049 -19.258 350.073 PRESSAVG: 1237400 13.3016 58.7021 -100.591 58.7021 -2.54598 9.23975 -100.591 9.23976 -21.333 GPRESSAVG: 1237400 13.1527 57.3622 -98.7853 59.4517 -2.09412 8.11105 -99.7888 12.3919 -21.4106 TIMING: 1237400 CPU: 3910.17, 0.0031614/step Wall: 3910.17, 0.0031614/step, 3.30419 hours remaining, 231.855469 MB of memory in use. ENERGY: 1237400 4003.4691 20396.9797 14458.1962 238.6524 -202898.5951 2539.6385 0.0000 0.0000 52134.9143 -109126.7448 299.6201 -161261.6592 -108761.1532 299.5729 -11.3180 9.6461 763295.0738 -3.5258 -3.4507 PRESSURE: 1237600 47.5627 -113.203 -55.221 -113.203 306.729 -56.6496 -55.2209 -56.651 -127.416 GPRESSURE: 1237600 100.579 -166.862 -55.8631 46.3002 331.678 -54.9224 -35.625 -116.612 -92.3259 PRESSAVG: 1237600 -55.2349 6.82031 -9.89492 6.82028 11.6557 -72.5702 -9.89494 -72.5702 12.4865 GPRESSAVG: 1237600 -54.9778 5.69496 -10.4734 6.86073 11.1747 -74.0807 -9.41476 -75.0635 13.0052 TIMING: 1237600 CPU: 3910.8, 0.00315798/step Wall: 3910.8, 0.00315798/step, 3.30044 hours remaining, 231.855469 MB of memory in use. ENERGY: 1237600 4043.1965 20462.6423 14429.5550 236.9357 -203373.1223 2899.0595 0.0000 0.0000 52138.0451 -109163.6881 299.6381 -161301.7332 -108790.7776 299.5454 75.6254 113.3105 761327.1611 -10.3642 -10.2659 PRESSURE: 1237800 311.624 216.693 -5.79662 216.694 -78.2036 -6.93008 -5.79625 -6.92934 -225.576 GPRESSURE: 1237800 343.266 222.006 34.5136 163.337 -58.9699 -17.4883 -72.7547 54.9106 -183.632 PRESSAVG: 1237800 8.90351 41.0926 45.4158 41.0926 23.1458 -12.419 45.4158 -12.419 -9.96213 GPRESSAVG: 1237800 9.23953 42.7526 43.4716 40.4165 23.2444 -10.2648 45.8327 -11.8977 -11.0517 TIMING: 1237800 CPU: 3911.43, 0.00315468/step Wall: 3911.43, 0.00315468/step, 3.29681 hours remaining, 231.855469 MB of memory in use. ENERGY: 1237800 3987.6501 20512.3604 14472.6051 223.4360 -203357.3284 2684.0207 0.0000 0.0000 52331.2176 -109146.0386 300.7482 -161477.2561 -108779.3368 299.5519 2.6148 33.5546 763130.9679 7.3624 7.1441 PRESSURE: 1238000 -14.2064 284.015 -188.382 284.015 52.383 -126.364 -188.382 -126.365 526.388 GPRESSURE: 1238000 -61.3222 144.111 -158.322 264.866 127.467 -154.464 -138.915 -52.5771 571.573 PRESSAVG: 1238000 45.1236 83.3347 -33.9646 83.3346 -22.0114 -31.3856 -33.9647 -31.3855 25.6357 GPRESSAVG: 1238000 44.5297 82.1518 -32.4748 82.6938 -22.2004 -31.072 -33.5512 -33.1855 26.131 TIMING: 1238000 CPU: 3912.06, 0.00315368/step Wall: 3912.06, 0.00315368/step, 3.2956 hours remaining, 231.855469 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: 1238000 3910.7256 20480.5500 14459.9783 253.2146 -203578.5676 2807.2467 0.0000 0.0000 52579.4141 -109087.4383 302.1746 -161666.8524 -108721.2167 300.4207 188.1884 212.5726 760923.0914 16.2493 16.1534 PRESSURE: 1238200 110.652 260.737 70.451 260.737 152.349 -309.134 70.4525 -309.135 178.681 GPRESSURE: 1238200 235.825 276.388 41.5149 265.233 164.187 -338.772 158.243 -356.798 130.886 PRESSAVG: 1238200 35.7301 43.1157 -58.3096 43.1158 9.08014 -40.1002 -58.3096 -40.1002 -7.87462 GPRESSAVG: 1238200 36.258 43.6449 -58.3134 42.7534 10.2946 -40.7079 -59.6441 -40.864 -9.15571 TIMING: 1238200 CPU: 3912.7, 0.00317242/step Wall: 3912.7, 0.00317242/step, 3.315 hours remaining, 231.855469 MB of memory in use. ENERGY: 1238200 3999.4564 20429.3216 14463.3880 257.0037 -203444.4188 2810.3632 0.0000 0.0000 52285.4462 -109199.4397 300.4852 -161484.8860 -108825.2466 300.0233 147.2271 176.9659 763014.6530 12.3119 12.4656 PRESSURE: 1238400 -300.128 51.0678 150.626 51.0678 -229.067 206.031 150.626 206.032 298.852 GPRESSURE: 1238400 -220.143 112.381 105.648 -56.7194 -227.118 167.393 129.654 120.917 314.732 PRESSAVG: 1238400 97.1894 17.1819 1.67767 17.182 -34.549 -68.3986 1.67765 -68.3985 5.76821 GPRESSAVG: 1238400 96.2379 18.4303 0.191563 16.7175 -34.578 -68.301 1.93356 -65.8624 6.48275 TIMING: 1238400 CPU: 3913.33, 0.00317052/step Wall: 3913.33, 0.00317052/step, 3.31284 hours remaining, 231.855469 MB of memory in use. ENERGY: 1238400 4027.2418 20609.1518 14419.7206 273.1050 -203389.1233 2885.1638 0.0000 0.0000 51970.3338 -109204.4064 298.6742 -161174.7402 -108847.5293 299.7399 -76.7809 -44.1763 763767.3421 22.8029 22.7142 PRESSURE: 1238600 -3.03477 -60.4029 44.3006 -60.4032 -281.653 111.249 44.301 111.248 -416.515 GPRESSURE: 1238600 -40.0027 -117.493 -59.2125 -19.3547 -194.534 45.8186 139.188 136.379 -395.744 PRESSAVG: 1238600 -30.1625 71.6223 -10.1089 71.6223 -23.557 10.7374 -10.1089 10.7375 -18.9713 GPRESSAVG: 1238600 -29.4099 70.0159 -8.61315 72.2078 -24.0583 9.85032 -9.1044 9.10046 -19.2342 TIMING: 1238600 CPU: 3913.96, 0.00315591/step Wall: 3913.96, 0.00315591/step, 3.2974 hours remaining, 231.855469 MB of memory in use. ENERGY: 1238600 3982.0633 20618.8766 14428.2116 238.6276 -203172.9060 2594.1063 0.0000 0.0000 52122.8380 -109188.1826 299.5507 -161311.0206 -108823.9514 299.4821 -233.7344 -210.0935 764247.3144 -24.2302 -24.2341 PRESSURE: 1238800 0.121107 20.9545 -27.1007 20.9539 17.5443 42.437 -27.1007 42.4364 -125.427 GPRESSURE: 1238800 43.1408 -1.7694 0.81278 -21.2639 -8.60376 92.6179 -129.248 12.2119 -63.5666 PRESSAVG: 1238800 -25.9788 52.3766 3.51003 52.3766 22.8625 -24.396 3.50998 -24.396 -17.1813 GPRESSAVG: 1238800 -26.361 51.677 3.42174 53.5346 23.1445 -23.6051 2.99388 -23.5707 -16.7669 TIMING: 1238800 CPU: 3914.59, 0.00316293/step Wall: 3914.59, 0.00316293/step, 3.30456 hours remaining, 231.855469 MB of memory in use. ENERGY: 1238800 3988.1289 20476.5314 14516.9744 255.4975 -203676.0534 2915.6302 0.0000 0.0000 52353.7788 -109169.5123 300.8779 -161523.2910 -108806.2757 299.8726 -35.9205 -9.6765 765525.9041 -6.7658 -6.6612 PRESSURE: 1239000 236.727 92.8858 129.132 92.8851 -162.816 127.491 129.131 127.492 -181.076 GPRESSURE: 1239000 166.291 10.5658 167.353 57.1233 -62.4512 99.2538 180.354 64.4571 -128.471 PRESSAVG: 1239000 19.4716 44.8454 31.8451 44.8453 -24.7929 -30.5149 31.8451 -30.515 17.2953 GPRESSAVG: 1239000 19.4588 46.4043 31.4956 41.921 -24.3359 -33.0278 32.7073 -30.4829 17.5035 TIMING: 1239000 CPU: 3915.23, 0.00318912/step Wall: 3915.23, 0.00318912/step, 3.33175 hours remaining, 231.855469 MB of memory in use. ENERGY: 1239000 3975.3391 20479.7932 14486.8656 239.3634 -203273.9019 2703.9452 0.0000 0.0000 52091.9550 -109296.6404 299.3732 -161388.5954 -108934.1975 299.3709 -35.7218 -8.2104 763031.9251 3.9913 4.2088 PRESSURE: 1239200 -107.239 168.556 171.41 168.557 -117.714 -28.6848 171.41 -28.6848 -273.286 GPRESSURE: 1239200 -19.4434 145.938 68.2063 181.081 -139.409 -29.3527 128.181 -66.0379 -266.138 PRESSAVG: 1239200 59.8905 7.64816 15.6116 7.64817 -46.7612 -72.4173 15.6116 -72.4172 4.60203 GPRESSAVG: 1239200 61.1205 7.61727 16.1131 8.52522 -46.6795 -70.0434 13.1866 -72.6789 3.593 TIMING: 1239200 CPU: 3915.87, 0.00318968/step Wall: 3915.87, 0.00318968/step, 3.33215 hours remaining, 231.855469 MB of memory in use. ENERGY: 1239200 3943.2850 20439.3359 14488.0246 257.2816 -203147.5977 2842.0953 0.0000 0.0000 52006.4608 -109171.1145 298.8818 -161177.5753 -108797.4687 299.0596 -166.0795 -141.6634 764245.8850 5.9104 6.0113 PRESSURE: 1239400 -99.3617 -43.6202 -81.1629 -43.6204 -81.1751 192.361 -81.163 192.361 -46.7008 GPRESSURE: 1239400 -53.1018 46.618 -64.5469 -77.8274 -69.6012 55.3701 -11.3492 137.183 -33.3383 PRESSAVG: 1239400 -6.94162 66.7331 19.9381 66.733 -46.6801 0.144164 19.9381 0.144073 -8.14876 GPRESSAVG: 1239400 -6.52612 67.3862 19.5342 67.6762 -46.7923 -0.301837 21.9126 -0.352691 -7.75259 TIMING: 1239400 CPU: 3916.5, 0.00315073/step Wall: 3916.5, 0.00315073/step, 3.29129 hours remaining, 231.855469 MB of memory in use. ENERGY: 1239400 3948.2896 20387.4724 14451.3089 240.0384 -203232.9952 2692.8248 0.0000 0.0000 52394.0238 -109119.0374 301.1092 -161513.0612 -108757.3920 299.5896 -75.7459 -52.0138 762981.3324 -20.5902 -20.3570 PRESSURE: 1239600 174.232 -124.449 -37.6501 -124.449 126.805 215.441 -37.6497 215.441 -46.8877 GPRESSURE: 1239600 238.375 -117.877 -12.7224 -105.809 144.165 227.424 -83.9366 328.863 -34.8004 PRESSAVG: 1239600 1.26762 -21.9147 -43.5509 -21.9147 24.3002 -10.8124 -43.5508 -10.8125 -5.5081 GPRESSAVG: 1239600 1.19862 -21.8537 -44.9328 -22.3853 24.9804 -10.8937 -42.3855 -9.30748 -5.94763 TIMING: 1239600 CPU: 3917.13, 0.00314321/step Wall: 3917.13, 0.00314321/step, 3.28325 hours remaining, 231.855469 MB of memory in use. ENERGY: 1239600 3949.6734 20560.7699 14424.6999 247.1241 -203273.1989 2663.3174 0.0000 0.0000 52083.6044 -109344.0097 299.3252 -161427.6141 -108985.7797 299.3003 84.7164 115.9132 762650.1304 6.6866 6.7438 PRESSURE: 1239800 -99.6974 -94.3871 -43.4721 -94.3866 -116.783 -116.659 -43.4717 -116.659 225.62 GPRESSURE: 1239800 -34.6485 -113.007 -22.6033 -59.5297 -104.86 -75.0345 -60.3434 -151.034 247.236 PRESSAVG: 1239800 4.87824 9.9409 -10.7819 9.94093 -3.18938 10.6112 -10.782 10.6112 -23.11 GPRESSAVG: 1239800 5.37496 6.31137 -7.57586 11.3564 -3.8875 10.2332 -13.0522 9.77141 -22.556 TIMING: 1239800 CPU: 3917.76, 0.00313661/step Wall: 3917.76, 0.00313661/step, 3.27619 hours remaining, 231.855469 MB of memory in use. ENERGY: 1239800 3937.6199 20552.0521 14468.8188 237.0943 -203423.1596 2541.1905 0.0000 0.0000 52181.9826 -109504.4013 299.8906 -161686.3840 -109134.5554 298.9805 3.0465 35.9091 760623.7210 -7.1404 -7.0228 PRESSURE: 1240000 -164.877 39.4486 140.084 39.4493 -178.454 163.794 140.083 163.794 -184.107 GPRESSURE: 1240000 -86.9499 113.195 140.012 40.1665 -144.524 172.366 127.186 105.618 -219.554 PRESSAVG: 1240000 -11.5249 29.3838 26.071 29.3838 35.834 -45.1174 26.0709 -45.1173 8.52458 GPRESSAVG: 1240000 -12.7477 30.6417 24.721 29.3401 36.1106 -46.156 26.8338 -43.8613 8.84691 TIMING: 1240000 CPU: 3918.39, 0.00317117/step Wall: 3918.39, 0.00317117/step, 3.31211 hours remaining, 231.855469 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: 1240000 3971.6724 20469.6151 14510.7403 250.6525 -203235.9723 2498.9695 0.0000 0.0000 51988.2690 -109546.0536 298.7773 -161534.3226 -109182.2344 299.0812 -175.8127 -150.3428 761497.8932 10.9445 10.7366 PRESSURE: 1240200 -585.189 27.8419 -245.633 27.8413 -345.396 -57.049 -245.633 -57.0487 -237.397 GPRESSURE: 1240200 -476.503 -28.026 -267.817 128.867 -388.117 61.1005 -237.15 -0.586976 -199.049 PRESSAVG: 1240200 -40.4723 59.8398 32.0842 59.8399 13.6346 33.8959 32.0842 33.8958 11.3582 GPRESSAVG: 1240200 -39.4645 60.7719 32.2474 58.026 12.9785 34.9761 31.7163 32.7868 10.7666 TIMING: 1240200 CPU: 3919.02, 0.00316441/step Wall: 3919.02, 0.00316441/step, 3.30487 hours remaining, 231.855469 MB of memory in use. ENERGY: 1240200 3985.0279 20416.5046 14493.1414 233.2416 -203068.2225 2640.8425 0.0000 0.0000 51858.5540 -109440.9104 298.0318 -161299.4644 -109081.2727 298.9687 -389.3272 -354.5562 763152.2091 -5.1598 -5.2398 LDB: ============= START OF LOAD BALANCING ============== 3931.56 LDB: ============== END OF LOAD BALANCING =============== 3931.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3931.56 LDB: ============= START OF LOAD BALANCING ============== 3931.87 LDB: Largest compute 7060 load 0.030926 is 15.8% of average load 0.195390 LDB: Average compute 0.004415 is 2.3% of average load 0.195390 LDB: TIME 3931.88 LOAD: AVG 0.19539 MAX 0.214452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.902 MB LDB: TIME 3931.88 LOAD: AVG 0.19539 MAX 0.214452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: TIME 3931.88 LOAD: AVG 0.19539 MAX 0.214452 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.105 MB LDB: ============== END OF LOAD BALANCING =============== 3931.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3931.89 PRESSURE: 1240400 -110.934 164.288 -36.2106 164.288 18.2801 31.6608 -36.2106 31.6617 75.5523 GPRESSURE: 1240400 -30.7018 146.812 -44.6526 145.985 81.5969 82.5959 116.3 2.34609 22.0214 PRESSAVG: 1240400 0.423464 0.928216 2.14326 0.928266 39.2083 54.4312 2.14323 54.4312 -2.65917 GPRESSAVG: 1240400 1.12047 0.304014 2.13554 1.78211 40.3685 54.4786 1.59414 54.1459 -3.83647 TIMING: 1240400 CPU: 3919.67, 0.00322296/step Wall: 3919.67, 0.00322296/step, 3.36584 hours remaining, 233.648438 MB of memory in use. ENERGY: 1240400 3907.8245 20501.9885 14479.8009 269.2084 -203378.0610 2705.4064 0.0000 0.0000 52205.4471 -109308.3852 300.0254 -161513.8322 -108941.0928 299.3481 -5.7006 24.3055 761144.5949 12.3242 12.5508 PRESSURE: 1240600 7.6752 -1.83804 -11.9832 -1.83766 -364.065 -304.896 -11.9835 -304.896 -7.24455 GPRESSURE: 1240600 25.7002 18.2388 -45.2569 -17.098 -321.613 -338.359 17.1298 -187.225 33.2275 PRESSAVG: 1240600 -12.3553 -2.60889 17.2612 -2.60893 -5.50032 -14.0346 17.2612 -14.0347 -8.76668 GPRESSAVG: 1240600 -13.366 -0.969566 17.7784 -3.91115 -6.32514 -13.8008 18.9337 -13.3744 -7.37244 TIMING: 1240600 CPU: 3920.3, 0.00313282/step Wall: 3920.3, 0.00313282/step, 3.27153 hours remaining, 233.714844 MB of memory in use. ENERGY: 1240600 3997.4253 20361.4837 14474.0028 246.9013 -202919.3207 2519.6782 0.0000 0.0000 52114.2814 -109205.5481 299.5015 -161319.8295 -108843.4085 298.9977 -121.2113 -87.5619 763328.5174 -8.8741 -9.0212 PRESSURE: 1240800 -276.949 -117.776 1.40767 -117.776 31.139 245.541 1.40781 245.54 87.2272 GPRESSURE: 1240800 -128.077 -50.3005 -27.6822 -68.2399 -5.5726 226.788 122.947 331.497 56.4267 PRESSAVG: 1240800 13.8755 38.1335 -10.4703 38.1335 -50.2435 43.9348 -10.4704 43.9348 -1.08215 GPRESSAVG: 1240800 14.595 36.6547 -12.1747 40.2226 -51.4127 42.8767 -11.0423 44.5779 -1.20034 TIMING: 1240800 CPU: 3920.92, 0.00314789/step Wall: 3920.92, 0.00314789/step, 3.2871 hours remaining, 233.917969 MB of memory in use. ENERGY: 1240800 3928.4283 20492.4172 14507.8742 246.6456 -203613.4738 2878.3298 0.0000 0.0000 52237.8138 -109321.9650 300.2114 -161559.7788 -108958.8558 299.3003 -52.8610 -25.7411 762844.4071 -12.4834 -12.6727 PRESSURE: 1241000 251.422 299.395 169.165 299.394 94.832 123.455 169.165 123.455 -73.1164 GPRESSURE: 1241000 222.171 148.797 164.889 263.85 119.447 143.243 223.711 21.4065 7.07129 PRESSAVG: 1241000 42.7047 39.0252 33.383 39.0252 -33.8516 32.1036 33.383 32.1036 24.2499 GPRESSAVG: 1241000 42.1167 38.6595 32.6991 38.1078 -33.4886 33.913 33.2519 29.234 24.2086 TIMING: 1241000 CPU: 3921.55, 0.00314314/step Wall: 3921.55, 0.00314314/step, 3.28196 hours remaining, 233.917969 MB of memory in use. ENERGY: 1241000 3991.4734 20462.0258 14492.4377 252.0155 -203629.2563 3042.0351 0.0000 0.0000 52241.0543 -109148.2145 300.2301 -161389.2688 -108800.7909 299.0641 91.0459 116.2296 763262.8172 11.0343 10.9455 PRESSURE: 1241200 62.6507 4.75433 59.4388 4.7548 192.894 -2.319 59.4395 -2.32006 -42.031 GPRESSURE: 1241200 134.404 -55.677 4.43983 75.9081 188.388 -103.642 43.1015 9.24201 -32.8999 PRESSAVG: 1241200 36.1568 -19.0559 -24.2601 -19.0559 -33.5365 -26.9686 -24.2602 -26.9686 -16.5692 GPRESSAVG: 1241200 35.4943 -18.8959 -24.0674 -17.9577 -33.201 -29.9784 -24.9788 -24.9259 -17.2524 TIMING: 1241200 CPU: 3922.18, 0.00315212/step Wall: 3922.18, 0.00315212/step, 3.29116 hours remaining, 233.917969 MB of memory in use. ENERGY: 1241200 3934.4775 20581.1878 14509.4874 260.9048 -203444.5683 2905.2509 0.0000 0.0000 52166.3550 -109086.9050 299.8008 -161253.2599 -108744.3639 299.7408 71.1713 96.6306 763563.8223 -4.6496 -4.9864 PRESSURE: 1241400 134.159 -304.385 19.161 -304.385 66.8469 -205.435 19.1612 -205.435 -213.96 GPRESSURE: 1241400 214.454 -315.474 7.95515 -248.011 70.5141 -264.844 -115.126 -225.033 -207.223 PRESSAVG: 1241400 18.771 14.2002 24.2839 14.2002 -35.385 -17.6031 24.2839 -17.603 -9.56982 GPRESSAVG: 1241400 19.0191 16.3287 25.9679 14.3865 -36.2968 -17.487 22.4938 -18.0553 -9.43904 TIMING: 1241400 CPU: 3922.81, 0.00313966/step Wall: 3922.81, 0.00313966/step, 3.27798 hours remaining, 233.917969 MB of memory in use. ENERGY: 1241400 4042.0304 20507.3856 14589.1836 254.4606 -203285.3978 2796.6440 0.0000 0.0000 51803.0379 -109292.6558 297.7128 -161095.6936 -108935.6999 299.5142 -4.3183 25.9148 763690.9380 -8.7279 -8.9056 PRESSURE: 1241600 -235.288 255.891 -169.809 255.892 -588.897 218.663 -169.809 218.664 -170.588 GPRESSURE: 1241600 -215.17 136.737 -206.664 232.541 -545.304 214.52 9.64561 213.612 -164.965 PRESSAVG: 1241600 4.61528 22.2519 -5.84207 22.2519 -38.3487 61.7213 -5.84217 61.7212 7.47548 GPRESSAVG: 1241600 4.29481 20.3217 -7.06917 20.1138 -37.6122 63.2119 -2.33199 62.4366 7.16599 TIMING: 1241600 CPU: 3923.44, 0.00314587/step Wall: 3923.44, 0.00314587/step, 3.28429 hours remaining, 233.917969 MB of memory in use. ENERGY: 1241600 4020.8340 20473.5233 14436.8458 244.9390 -203224.1462 2621.0869 0.0000 0.0000 52077.5399 -109349.3772 299.2903 -161426.9172 -108980.0766 299.1540 -331.5910 -308.4798 763977.3716 -8.7527 -8.7171 PRESSURE: 1241800 155.808 -79.5643 11.9738 -79.5644 23.6044 -171.692 11.9732 -171.693 294.028 GPRESSURE: 1241800 143.053 29.0609 113.82 21.7464 138.896 -242.325 -57.2578 -130.789 266.887 PRESSAVG: 1241800 32.9689 -16.0547 41.9759 -16.0547 -31.4556 1.45095 41.9759 1.45094 -6.40553 GPRESSAVG: 1241800 32.9592 -15.6915 43.2889 -14.4115 -31.0866 2.1031 41.7181 0.231765 -6.41459 TIMING: 1241800 CPU: 3924.07, 0.00315525/step Wall: 3924.07, 0.00315525/step, 3.2939 hours remaining, 233.917969 MB of memory in use. ENERGY: 1241800 3994.4954 20557.7936 14306.0145 246.9341 -202958.1103 2720.9315 0.0000 0.0000 51871.8377 -109260.1035 298.1082 -161131.9412 -108901.6173 298.9481 157.8135 182.9453 763976.6916 -1.6308 -1.5140 PRESSURE: 1242000 -182.798 29.7651 352.058 29.7643 39.7945 -244.748 352.059 -244.748 204.39 GPRESSURE: 1242000 -37.4562 -64.7473 304.185 -31.4488 91.1373 -238.511 378.966 -108.75 94.3717 PRESSAVG: 1242000 60.2497 -29.7211 16.7672 -29.721 -50.7834 -37.8056 16.7672 -37.8056 22.2067 GPRESSAVG: 1242000 60.348 -28.4686 16.9339 -29.5456 -51.6401 -37.7286 16.7424 -37.6128 23.1671 TIMING: 1242000 CPU: 3924.7, 0.00314957/step Wall: 3924.7, 0.00314957/step, 3.2878 hours remaining, 233.917969 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: 1242000 3910.5114 20414.8839 14394.6044 236.6984 -202825.7234 2491.2344 0.0000 0.0000 51992.7424 -109385.0485 298.8030 -161377.7909 -109027.4165 298.5897 20.4622 49.3509 764348.0666 10.5577 10.6250 PRESSURE: 1242200 -129.326 -71.1563 -16.2542 -71.1549 166.589 -85.6265 -16.254 -85.6259 92.7317 GPRESSURE: 1242200 34.7425 68.7472 -5.4277 -71.6012 171.642 -166.806 1.66886 -61.5769 -3.07241 PRESSAVG: 1242200 -17.3122 -10.3449 35.7069 -10.3448 24.4723 -16.5604 35.7069 -16.5603 7.52339 GPRESSAVG: 1242200 -16.9535 -10.6071 34.0755 -10.0929 24.8504 -17.4178 36.6269 -16.0717 6.58506 TIMING: 1242200 CPU: 3925.33, 0.00315233/step Wall: 3925.33, 0.00315233/step, 3.29051 hours remaining, 233.917969 MB of memory in use. ENERGY: 1242200 3919.1463 20545.8872 14518.2694 254.0463 -203117.1717 2718.7251 0.0000 0.0000 51859.9691 -109301.1284 298.0400 -161161.0975 -108939.8542 298.6115 43.3315 67.7708 762427.5759 4.8945 4.8273 PRESSURE: 1242400 107.793 -273.77 33.2545 -273.77 131.288 52.3253 33.2548 52.3253 632.947 GPRESSURE: 1242400 93.7525 -283.78 149.846 -202.945 195.47 45.4683 -5.31496 69.8329 647.345 PRESSAVG: 1242400 2.75351 -22.6936 40.8879 -22.6937 -3.49905 10.1179 40.8879 10.1179 -3.80472 GPRESSAVG: 1242400 2.52581 -23.1771 41.839 -24.3299 -3.92474 9.05039 39.916 9.25543 -3.62031 TIMING: 1242400 CPU: 3925.96, 0.00315009/step Wall: 3925.96, 0.00315009/step, 3.288 hours remaining, 233.917969 MB of memory in use. ENERGY: 1242400 3906.1756 20440.6169 14468.3023 268.3637 -203046.3183 2718.8686 0.0000 0.0000 51750.2482 -109493.7428 297.4094 -161243.9911 -109137.9351 298.3812 290.6759 312.1891 762085.3912 -1.5168 -1.6731 PRESSURE: 1242600 -15.9202 -63.0129 217.889 -63.0122 -204.325 -181.309 217.889 -181.308 -358.737 GPRESSURE: 1242600 -90.5922 16.5528 238.814 -130.714 -153.601 -246.441 181.036 -83.1711 -253.244 PRESSAVG: 1242600 9.70808 7.77297 32.8253 7.77299 18.1671 15.6324 32.8252 15.6324 -2.67611 GPRESSAVG: 1242600 8.6676 8.64644 32.3959 8.42658 18.1117 16.9914 32.8247 16.5698 -1.30136 TIMING: 1242600 CPU: 3926.6, 0.00316516/step Wall: 3926.6, 0.00316517/step, 3.30355 hours remaining, 233.917969 MB of memory in use. ENERGY: 1242600 4070.5222 20479.1391 14401.2185 248.8608 -202671.4059 2559.5576 0.0000 0.0000 51889.9254 -109022.1824 298.2121 -160912.1078 -108673.2344 299.0031 -192.9939 -165.8124 763582.9647 8.3997 8.4926 PRESSURE: 1242800 18.3541 43.3508 69.8537 43.3508 -208.967 179.829 69.8537 179.831 -107.451 GPRESSURE: 1242800 -15.7789 64.6739 -1.07513 157.251 -156.268 168.752 164.22 186.452 -22.5048 PRESSAVG: 1242800 4.18277 8.39029 0.716284 8.39029 16.4089 1.03246 0.716272 1.03249 11.768 GPRESSAVG: 1242800 4.52977 9.05785 0.21779 9.15477 17.1386 2.01412 -0.110138 0.735914 10.2308 TIMING: 1242800 CPU: 3927.23, 0.00318687/step Wall: 3927.23, 0.00318687/step, 3.32603 hours remaining, 233.917969 MB of memory in use. ENERGY: 1242800 3948.8003 20448.7735 14459.0689 246.4379 -202709.9711 2429.5451 0.0000 0.0000 51988.2544 -109189.0910 298.7772 -161177.3454 -108824.3518 299.1049 -99.3547 -64.8505 761054.4757 10.7866 10.6330 PRESSURE: 1243000 -167.587 21.828 72.3299 21.8279 175.732 155.428 72.3288 155.428 131.204 GPRESSURE: 1243000 -107.306 22.9557 90.3581 70.3955 192.576 73.6722 -43.2351 156.409 145.826 PRESSAVG: 1243000 -21.4884 10.4441 27.8574 10.4442 14.817 28.5501 27.8574 28.5502 1.14883 GPRESSAVG: 1243000 -22.6886 9.958 28.6055 10.8983 14.858 27.2025 27.8184 29.1766 3.43081 TIMING: 1243000 CPU: 3927.87, 0.00318031/step Wall: 3927.87, 0.00318031/step, 3.31901 hours remaining, 233.917969 MB of memory in use. ENERGY: 1243000 3919.9505 20301.8598 14379.6295 243.3318 -203357.7393 2724.6925 0.0000 0.0000 52502.5171 -109285.7581 301.7327 -161788.2751 -108903.6274 299.1516 46.4494 77.0321 762737.7666 -1.8409 -1.4666 PRESSURE: 1243200 48.9174 233.478 -13.5306 233.479 -163.871 0.128987 -13.5305 0.1291 345.027 GPRESSURE: 1243200 3.55816 213.589 28.6095 245.76 -126.425 -13.0304 -37.8671 64.4609 415.789 PRESSAVG: 1243200 11.4278 1.00512 1.34468 1.00506 -40.575 2.5338 1.34469 2.53377 -20.9449 GPRESSAVG: 1243200 12.1611 2.19793 2.41989 0.0704239 -40.029 2.98044 0.370761 2.58932 -22.3464 TIMING: 1243200 CPU: 3928.51, 0.00318893/step Wall: 3928.51, 0.00318893/step, 3.32783 hours remaining, 233.917969 MB of memory in use. ENERGY: 1243200 3977.3243 20369.0931 14482.6937 243.3629 -203394.6681 2763.0935 0.0000 0.0000 52308.8580 -109250.2426 300.6197 -161559.1006 -108888.2235 299.4093 76.6911 97.6409 763666.4610 -16.6974 -16.7381 PRESSURE: 1243400 80.5902 75.1761 -33.7509 75.1762 364.955 22.6992 -33.751 22.6985 431.086 GPRESSURE: 1243400 89.1062 185.781 -101.381 29.3928 363.731 -50.8129 0.408952 -1.13825 499.253 PRESSAVG: 1243400 -2.77154 24.4877 24.7118 24.4878 8.4622 26.3487 24.7118 26.3488 16.0539 GPRESSAVG: 1243400 -2.07223 24.7133 24.1505 22.9197 7.86041 27.0124 27.6262 26.1667 15.7733 TIMING: 1243400 CPU: 3929.14, 0.00316897/step Wall: 3929.14, 0.00316897/step, 3.30682 hours remaining, 233.917969 MB of memory in use. ENERGY: 1243400 3913.0458 20456.2620 14553.0383 267.0105 -203584.4774 2836.3283 0.0000 0.0000 52155.2482 -109403.5444 299.7369 -161558.7926 -109040.5074 298.9441 292.2102 317.3632 761950.0305 7.2482 7.1871 PRESSURE: 1243600 83.9706 67.7568 -108.808 67.7567 -45.3256 -93.5226 -108.807 -93.5236 -118.151 GPRESSURE: 1243600 126.267 11.6836 -92.6621 -8.38982 13.6397 5.98617 -72.7071 -129.629 -145.465 PRESSAVG: 1243600 36.7857 6.05962 -48.018 6.0596 -14.7161 16.7608 -48.018 16.7607 2.52347 GPRESSAVG: 1243600 35.7378 6.4183 -49.4027 7.49808 -14.7725 16.048 -49.3526 16.5599 3.76746 TIMING: 1243600 CPU: 3929.77, 0.00316732/step Wall: 3929.77, 0.00316732/step, 3.30493 hours remaining, 233.917969 MB of memory in use. ENERGY: 1243600 3933.0701 20588.9237 14541.1721 221.9472 -203524.1075 2769.7171 0.0000 0.0000 51993.0523 -109476.2250 298.8048 -161469.2773 -109128.1774 298.5070 -26.5019 -1.8526 761679.2278 8.1977 8.2442 PRESSURE: 1243800 -441.931 -95.2441 9.0201 -95.2432 -30.8095 -2.0656 9.01966 -2.06494 -9.49269 GPRESSURE: 1243800 -421.432 -147.065 -14.0455 -17.4669 -43.92 -39.3078 162.737 -4.21612 73.7725 PRESSAVG: 1243800 -11.5106 13.3462 12.993 13.3462 -52.7853 29.5911 12.993 29.5912 -10.3114 GPRESSAVG: 1243800 -11.6155 10.9181 12.9207 13.926 -51.6808 29.0459 15.9024 31.3243 -10.9049 TIMING: 1243800 CPU: 3930.41, 0.00317005/step Wall: 3930.41, 0.00317005/step, 3.30759 hours remaining, 233.906250 MB of memory in use. ENERGY: 1243800 3919.6176 20480.1480 14528.8717 242.0281 -202577.4170 2027.5386 0.0000 0.0000 51652.1448 -109727.0683 296.8456 -161379.2131 -109376.0635 298.2332 -160.7443 -130.5264 763948.5705 -24.8691 -24.7338 PRESSURE: 1244000 -65.6378 70.7033 86.2787 70.7034 -148.882 -19.5687 86.2799 -19.5688 -224.224 GPRESSURE: 1244000 -147.4 9.50883 34.0074 -3.0832 -22.0332 -51.5537 45.6296 -130.118 -167.409 PRESSAVG: 1244000 -8.12506 24.8881 47.5185 24.8881 6.3176 55.8589 47.5185 55.8588 6.13311 GPRESSAVG: 1244000 -9.12624 26.5991 48.9054 25.2437 7.62423 56.9879 45.0992 53.8144 6.06483 TIMING: 1244000 CPU: 3931.04, 0.0031751/step Wall: 3931.04, 0.0031751/step, 3.31269 hours remaining, 233.917969 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: 1244000 4002.2197 20492.2338 14444.9519 257.4972 -203037.8812 2484.3808 0.0000 0.0000 51807.9860 -109548.6117 297.7412 -161356.5977 -109202.7357 298.3991 -146.2479 -112.2808 762537.2340 1.4419 1.5209 PRESSURE: 1244200 -389.798 -232.438 71.8826 -232.438 -15.9552 127.503 71.8828 127.504 -70.0937 GPRESSURE: 1244200 -243.444 -68.7381 76.8176 -201.603 -82.4968 54.6328 26.7624 130.455 -46.8034 PRESSAVG: 1244200 4.50756 -3.873 13.6202 -3.87297 -2.06579 -25.2406 13.6202 -25.2407 22.5236 GPRESSAVG: 1244200 6.51164 -4.23687 12.3368 -5.56639 -5.02098 -27.6467 12.5164 -24.4412 23.2181 TIMING: 1244200 CPU: 3931.68, 0.00316905/step Wall: 3931.68, 0.00316905/step, 3.3062 hours remaining, 233.917969 MB of memory in use. ENERGY: 1244200 3977.9460 20401.9681 14472.7341 227.2029 -202682.9658 2305.7554 0.0000 0.0000 51870.7526 -109426.6067 298.1019 -161297.3593 -109065.6817 298.4362 -158.6155 -124.2481 763038.3321 8.3218 8.2362 LDB: ============= START OF LOAD BALANCING ============== 3944.21 LDB: ============== END OF LOAD BALANCING =============== 3944.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3944.21 LDB: ============= START OF LOAD BALANCING ============== 3944.53 LDB: Largest compute 7042 load 0.031666 is 16.2% of average load 0.195415 LDB: Average compute 0.004391 is 2.2% of average load 0.195415 LDB: TIME 3944.53 LOAD: AVG 0.195415 MAX 0.216197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.188 MB LDB: TIME 3944.53 LOAD: AVG 0.195415 MAX 0.216197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: TIME 3944.53 LOAD: AVG 0.195415 MAX 0.216197 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: ============== END OF LOAD BALANCING =============== 3944.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3944.54 PRESSURE: 1244400 -96.9896 39.7706 126.346 39.7705 355.769 -69.1779 126.347 -69.1769 503.596 GPRESSURE: 1244400 89.1768 9.45757 179.001 34.3271 277.415 -30.1827 1.92958 -66.6919 469.14 PRESSAVG: 1244400 27.4544 -12.9806 39.0679 -12.9806 -17.277 37.7962 39.0679 37.7961 16.5566 GPRESSAVG: 1244400 25.9121 -15.1542 38.4809 -11.8316 -15.1163 38.3028 41.0874 37.7818 15.6468 TIMING: 1244400 CPU: 3932.32, 0.00322758/step Wall: 3932.32, 0.00322758/step, 3.36709 hours remaining, 233.960938 MB of memory in use. ENERGY: 1244400 3962.7098 20425.6642 14493.3260 250.6885 -203121.8516 2803.1604 0.0000 0.0000 51853.6839 -109332.6188 298.0038 -161186.3027 -108973.6729 298.2614 254.1251 278.5775 763072.0182 8.9113 8.8142 PRESSURE: 1244600 8.30026 -54.0147 55.3622 -54.0157 191.357 -98.3581 55.362 -98.3584 127.468 GPRESSURE: 1244600 73.2787 -84.8716 14.8777 -102.858 128.113 -81.8684 -66.3487 13.8139 206.983 PRESSAVG: 1244600 29.5061 -12.3008 22.5255 -12.3009 -30.2463 1.48335 22.5255 1.48334 -8.90588 GPRESSAVG: 1244600 29.9647 -10.9754 22.9071 -14.2263 -31.5108 2.92686 22.289 0.04353 -7.987 TIMING: 1244600 CPU: 3932.95, 0.00314694/step Wall: 3932.95, 0.00314695/step, 3.28279 hours remaining, 233.960938 MB of memory in use. ENERGY: 1244600 3997.4226 20557.1018 14508.9764 244.1560 -203275.0774 2695.5611 0.0000 0.0000 51920.8114 -109351.0481 298.3896 -161271.8595 -108993.7451 298.8153 109.0418 136.1248 761094.8552 -3.2153 -3.1777 PRESSURE: 1244800 10.721 -49.4327 30.1894 -49.4323 -145.532 -27.4275 30.1896 -27.4269 145.531 GPRESSURE: 1244800 129.46 -43.6996 96.7236 75.042 -182.589 -52.858 84.1054 -51.8248 149.155 PRESSAVG: 1244800 -14.0616 -50.8924 2.43451 -50.8923 -15.6847 -22.7948 2.4345 -22.7948 12.1228 GPRESSAVG: 1244800 -13.8388 -50.3306 3.95324 -49.9247 -14.5652 -23.3166 3.12382 -20.4751 10.9866 TIMING: 1244800 CPU: 3933.58, 0.00315271/step Wall: 3933.58, 0.00315271/step, 3.28863 hours remaining, 233.960938 MB of memory in use. ENERGY: 1244800 3968.5948 20408.8633 14440.7477 252.7808 -203145.5499 2531.0348 0.0000 0.0000 52112.1913 -109431.3373 299.4895 -161543.5286 -109065.6614 298.6358 3.5733 32.0089 763979.0989 -5.8745 -5.8058 PRESSURE: 1245000 189.485 -44.0346 -148.432 -44.034 1.69157 162.746 -148.431 162.745 146.856 GPRESSURE: 1245000 279.342 -124.752 -140.229 -59.9417 80.4073 173.622 -86.3784 248.027 70.568 PRESSAVG: 1245000 -35.2081 5.60509 29.1418 5.60515 94.7668 3.06757 29.1419 3.06752 21.7388 GPRESSAVG: 1245000 -35.4204 6.11633 29.6422 6.23543 94.8083 4.60403 28.4142 3.50369 21.6898 TIMING: 1245000 CPU: 3934.21, 0.00314958/step Wall: 3934.21, 0.00314958/step, 3.28518 hours remaining, 233.960938 MB of memory in use. ENERGY: 1245000 3914.6858 20432.6967 14444.7818 260.6202 -203609.2667 3025.0560 0.0000 0.0000 52154.1890 -109377.2372 299.7308 -161531.4262 -109009.9607 299.1018 112.6774 143.4390 762948.6932 27.0991 27.0259 PRESSURE: 1245200 115.916 -107.488 -76.7734 -107.488 285.706 93.6348 -76.773 93.6348 396.802 GPRESSURE: 1245200 164.982 -59.7812 -49.6605 -99.7561 340.567 89.6367 -90.6919 28.3658 364.926 PRESSAVG: 1245200 -7.79896 10.9751 -43.59 10.9751 20.0235 -43.8547 -43.59 -43.8547 13.2675 GPRESSAVG: 1245200 -6.88455 10.7564 -45.5984 7.53997 20.7399 -44.3245 -43.7966 -45.5706 12.1132 TIMING: 1245200 CPU: 3934.84, 0.00314458/step Wall: 3934.84, 0.00314458/step, 3.2798 hours remaining, 233.960938 MB of memory in use. ENERGY: 1245200 3949.8095 20332.6502 14552.1388 233.4766 -203375.0698 2908.4343 0.0000 0.0000 52203.8365 -109194.7239 300.0162 -161398.5604 -108833.4904 298.8282 266.1413 290.1588 762974.2634 8.4974 8.6562 PRESSURE: 1245400 36.481 -171.486 -61.6 -171.486 122.088 -114.918 -61.5996 -114.917 -46.1889 GPRESSURE: 1245400 69.4032 -41.1832 -109.69 -168.341 126.49 -58.6021 55.6744 -137.615 -15.6627 PRESSAVG: 1245400 23.0134 -18.9217 -10.8208 -18.9216 11.3922 37.796 -10.8208 37.7959 11.9485 GPRESSAVG: 1245400 22.6953 -18.148 -10.2926 -15.2284 9.3358 37.6487 -10.531 38.701 14.3032 TIMING: 1245400 CPU: 3935.47, 0.00314258/step Wall: 3935.47, 0.00314258/step, 3.27753 hours remaining, 233.960938 MB of memory in use. ENERGY: 1245400 3939.3337 20510.1507 14459.5227 240.8864 -202852.2567 2542.9960 0.0000 0.0000 52065.8820 -109093.4852 299.2233 -161159.3673 -108731.8964 299.4137 37.4600 60.0768 763580.5576 15.4513 15.4448 PRESSURE: 1245600 19.9016 253.757 131.645 253.758 127.794 142.867 131.644 142.867 159.197 GPRESSURE: 1245600 125.055 123.09 245.938 39.8855 105.622 140.199 29.2316 56.9067 177.462 PRESSAVG: 1245600 -23.9511 -1.17069 -6.13813 -1.17073 31.1949 -10.9614 -6.13817 -10.9614 -3.31084 GPRESSAVG: 1245600 -23.1375 -1.60596 -6.3396 -2.78805 31.6728 -11.5722 -6.95734 -11.8252 -4.70993 TIMING: 1245600 CPU: 3936.1, 0.0031471/step Wall: 3936.1, 0.0031471/step, 3.28207 hours remaining, 233.960938 MB of memory in use. ENERGY: 1245600 3972.7930 20343.3723 14473.9289 230.4109 -203238.1810 2796.8659 0.0000 0.0000 52177.8608 -109242.9492 299.8669 -161420.8100 -108883.0201 299.6647 102.2975 136.0465 763043.0889 1.3110 1.2751 PRESSURE: 1245800 -96.6771 -125.255 417.323 -125.255 -90.4304 -39.2163 417.324 -39.2167 -251.23 GPRESSURE: 1245800 -82.1012 -208.403 422.143 25.7569 -28.0897 -52.9177 412.196 12.3618 -220.95 PRESSAVG: 1245800 -20.5658 33.2485 -3.4054 33.2485 7.96299 -33.7948 -3.40543 -33.7949 11.3581 GPRESSAVG: 1245800 -21.0693 30.6959 -3.67247 36.196 7.78728 -32.6373 -3.91497 -33.5723 12.0525 TIMING: 1245800 CPU: 3936.73, 0.00315655/step Wall: 3936.73, 0.00315655/step, 3.29176 hours remaining, 233.960938 MB of memory in use. ENERGY: 1245800 4000.0615 20424.9940 14489.5076 235.1619 -203341.8405 2805.4785 0.0000 0.0000 52065.9687 -109320.6683 299.2238 -161386.6370 -108958.3669 299.4906 -146.1126 -110.3802 762383.7853 -0.4149 -0.4098 PRESSURE: 1246000 -330.44 -19.1571 -103.285 -19.1571 -244.207 -32.6476 -103.285 -32.6472 -238.039 GPRESSURE: 1246000 -200.657 -25.7615 -132.9 41.0079 -244.146 -28.3605 12.6418 48.2514 -280.357 PRESSAVG: 1246000 15.0472 10.7952 10.707 10.7952 1.36324 -23.6223 10.707 -23.6222 15.0073 GPRESSAVG: 1246000 14.7974 13.2102 11.2392 9.92449 2.90943 -26.4426 12.5317 -22.4215 13.4811 TIMING: 1246000 CPU: 3937.36, 0.0031675/step Wall: 3937.36, 0.0031675/step, 3.303 hours remaining, 233.960938 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: 1246000 3917.4987 20542.3958 14482.0571 250.2897 -202948.5181 2317.6443 0.0000 0.0000 52086.8948 -109351.7377 299.3441 -161438.6325 -108987.9650 299.1002 -270.8953 -241.7199 762173.6266 10.4726 10.3960 PRESSURE: 1246200 135.589 115.329 319.215 115.328 371.358 -19.9165 319.214 -19.9157 167.415 GPRESSURE: 1246200 248.328 136.132 337.504 106.979 352.571 -45.783 222.056 -105.296 161.306 PRESSAVG: 1246200 47.8557 25.2123 -28.0145 25.2123 -3.34217 -47.1498 -28.0145 -47.1498 -33.5012 GPRESSAVG: 1246200 49.287 24.5461 -29.9035 24.9381 -5.66745 -44.4558 -29.0096 -47.7216 -32.5684 TIMING: 1246200 CPU: 3938, 0.00317503/step Wall: 3938, 0.00317503/step, 3.31067 hours remaining, 233.960938 MB of memory in use. ENERGY: 1246200 3979.7565 20694.8109 14527.8245 244.5319 -203335.3079 2682.9692 0.0000 0.0000 51951.6364 -109253.7786 298.5668 -161205.4149 -108898.8040 299.1843 224.7878 254.0684 761513.0249 3.6708 3.6837 PRESSURE: 1246400 -67.877 23.7659 -57.098 23.7651 -256.243 -3.16371 -57.0976 -3.16308 181.656 GPRESSURE: 1246400 -131.395 -19.8387 -194.102 89.1139 -144.612 2.29908 -78.7166 34.2419 216.986 PRESSAVG: 1246400 25.4856 6.66146 -21.9167 6.66148 -31.6519 12.4787 -21.9166 12.4787 0.825611 GPRESSAVG: 1246400 24.1822 9.05347 -20.3828 5.25789 -30.24 11.1493 -18.7728 11.8623 1.03709 TIMING: 1246400 CPU: 3938.63, 0.0031683/step Wall: 3938.63, 0.0031683/step, 3.30348 hours remaining, 233.960938 MB of memory in use. ENERGY: 1246400 3964.9917 20561.8613 14469.0831 224.4740 -202810.3248 2447.5172 0.0000 0.0000 52104.5681 -109037.8294 299.4457 -161142.3975 -108679.6655 299.3102 -47.4881 -19.6738 763378.5725 -1.7802 -1.6736 PRESSURE: 1246600 -334.266 58.7277 -61.2901 58.7271 -210.482 -152.256 -61.2901 -152.257 -212.474 GPRESSURE: 1246600 -215.271 83.9706 -35.4291 27.0723 -273.041 -156.438 -49.153 -133.686 -163.9 PRESSAVG: 1246600 -11.9432 -29.2524 -48.7055 -29.2524 20.6885 27.3592 -48.7054 27.3592 9.62221 GPRESSAVG: 1246600 -11.5015 -31.4848 -48.6753 -29.0114 20.0246 27.2516 -53.4295 27.0158 9.87794 TIMING: 1246600 CPU: 3939.27, 0.00317442/step Wall: 3939.27, 0.00317442/step, 3.30968 hours remaining, 233.960938 MB of memory in use. ENERGY: 1246600 4019.8089 20529.9654 14418.6432 234.1883 -203131.5901 2508.4958 0.0000 0.0000 52229.9482 -109190.5403 300.1662 -161420.4885 -108826.8534 299.4100 -252.4074 -217.4038 763103.0666 6.1225 6.1337 PRESSURE: 1246800 -3.80824 -130.375 -251.126 -130.375 190.602 -62.6303 -251.126 -62.6293 -20.8343 GPRESSURE: 1246800 37.7324 -219.339 -173.519 -43.8557 260.484 -34.1503 -162.12 -14.6125 -35.8937 PRESSAVG: 1246800 -6.01198 -23.1916 -29.8802 -23.1916 25.7338 -19.602 -29.8802 -19.6021 16.1855 GPRESSAVG: 1246800 -4.95385 -22.8603 -29.1934 -22.3953 24.205 -19.3534 -26.9883 -19.4163 16.1035 TIMING: 1246800 CPU: 3939.9, 0.00316208/step Wall: 3939.9, 0.00316208/step, 3.29664 hours remaining, 233.960938 MB of memory in use. ENERGY: 1246800 3990.3628 20377.5352 14469.8343 242.5799 -203579.3171 3082.2858 0.0000 0.0000 52236.6288 -109180.0903 300.2046 -161416.7191 -108815.4587 299.0746 55.3197 87.4409 760906.1689 11.9691 11.7849 PRESSURE: 1247000 -58.279 -177.757 -34.5323 -177.758 151.896 -64.3555 -34.5322 -64.354 -38.7759 GPRESSURE: 1247000 -70.785 -147.338 -21.723 -131.737 209.273 61.1485 -62.1152 -95.6698 -13.4906 PRESSAVG: 1247000 -46.7915 -29.0199 -46.0449 -29.0199 2.29188 -3.64622 -46.0449 -3.64622 -16.2048 GPRESSAVG: 1247000 -49.0159 -28.2801 -48.035 -31.8023 4.25213 -3.41847 -47.5561 -3.01943 -15.9277 TIMING: 1247000 CPU: 3940.54, 0.00318741/step Wall: 3940.54, 0.00318741/step, 3.32287 hours remaining, 233.960938 MB of memory in use. ENERGY: 1247000 4006.2711 20645.5735 14499.6094 265.7446 -203086.8243 2643.7920 0.0000 0.0000 51976.1361 -109049.6975 298.7076 -161025.8337 -108698.9197 299.3565 18.2804 41.6657 764539.1799 -20.2348 -20.2305 PRESSURE: 1247200 -57.672 -13.2537 114.655 -13.2536 -157.711 -36.0823 114.655 -36.0829 99.3205 GPRESSURE: 1247200 -22.3292 92.5869 45.2337 -45.3828 -133.108 -9.24812 17.9252 29.4449 128.423 PRESSAVG: 1247200 -24.1017 3.36425 -73.7664 3.36418 15.823 42.2201 -73.7663 42.22 -3.83758 GPRESSAVG: 1247200 -23.2733 1.57814 -71.7126 5.32298 15.3102 43.0552 -74.104 41.1074 -4.65496 TIMING: 1247200 CPU: 3941.17, 0.0031695/step Wall: 3941.17, 0.0031695/step, 3.30403 hours remaining, 233.960938 MB of memory in use. ENERGY: 1247200 3904.5310 20527.7405 14455.1526 249.0213 -202823.2209 2626.5444 0.0000 0.0000 52198.0650 -108862.1660 299.9830 -161060.2311 -108503.4500 299.4176 -38.6874 -9.0049 763407.2561 -4.0387 -4.2060 PRESSURE: 1247400 84.6333 -312.448 93.4254 -312.448 289.935 -0.973086 93.4251 -0.972426 -451.404 GPRESSURE: 1247400 95.4123 -346.036 48.9232 -153.386 288.567 3.76361 196.743 -22.1038 -381.224 PRESSAVG: 1247400 -4.52618 -0.610755 -54.8844 -0.610735 -34.1862 -2.8319 -54.8843 -2.83199 6.98935 GPRESSAVG: 1247400 -4.92325 0.00759839 -57.4275 0.237013 -34.0851 -4.92195 -52.182 -1.95786 7.65031 TIMING: 1247400 CPU: 3941.8, 0.00316165/step Wall: 3941.8, 0.00316165/step, 3.29567 hours remaining, 233.960938 MB of memory in use. ENERGY: 1247400 4070.2021 20499.3717 14429.9310 232.8157 -203522.2680 3167.7895 0.0000 0.0000 52018.2606 -109103.8974 298.9497 -161122.1581 -108747.4418 299.2577 -25.6121 0.9185 762310.3133 -10.5743 -10.4527 PRESSURE: 1247600 379.423 42.6471 -9.09367 42.6472 469.764 -156.628 -9.09306 -156.628 -8.64481 GPRESSURE: 1247600 431.671 -34.2207 -0.850085 21.5002 391.73 -154.426 -90.8557 -178.326 106.845 PRESSAVG: 1247600 -48.4143 49.9531 -5.21484 49.9531 53.7938 -18.0368 -5.21479 -18.0368 7.35115 GPRESSAVG: 1247600 -49.2426 50.406 -3.49599 48.497 53.3167 -18.639 -6.51096 -16.8948 8.84727 TIMING: 1247600 CPU: 3942.44, 0.00316289/step Wall: 3942.44, 0.00316289/step, 3.29678 hours remaining, 233.960938 MB of memory in use. ENERGY: 1247600 4022.3521 20603.9586 14488.1503 233.6251 -203516.5174 3119.0570 0.0000 0.0000 51950.6145 -109098.7598 298.5609 -161049.3743 -108740.3580 299.0733 280.1809 310.0823 762542.6386 4.2436 4.3071 PRESSURE: 1247800 320.95 -152.182 -286.689 -152.182 354.765 100.504 -286.69 100.504 417.89 GPRESSURE: 1247800 367.927 -188.585 -233.74 -156.837 465.439 3.55922 -160.442 36.8012 350.125 PRESSAVG: 1247800 -1.58314 17.2631 -5.81587 17.263 -10.5389 19.68 -5.81595 19.6802 9.36916 GPRESSAVG: 1247800 -0.216408 15.2949 -6.03975 18.4407 -9.50878 20.6771 -5.71382 17.9068 6.49569 TIMING: 1247800 CPU: 3943.07, 0.00315722/step Wall: 3943.07, 0.00315722/step, 3.2907 hours remaining, 233.960938 MB of memory in use. ENERGY: 1247800 3969.6785 20641.0654 14466.4018 245.8129 -203337.7282 2930.9325 0.0000 0.0000 52025.6098 -109058.2274 298.9919 -161083.8372 -108714.7140 299.2269 364.5351 394.4971 764133.5703 -0.9176 -1.0765 PRESSURE: 1248000 95.4359 62.0362 -66.8582 62.036 -47.7371 19.7619 -66.8572 19.763 183.811 GPRESSURE: 1248000 87.5544 37.2941 -98.9177 35.493 40.6026 21.9743 -18.3023 -93.1224 196.176 PRESSAVG: 1248000 -1.20724 52.4465 -14.6684 52.4464 13.0951 38.954 -14.6684 38.954 -20.4876 GPRESSAVG: 1248000 -1.36536 52.0824 -14.5147 51.2419 11.8389 38.2043 -15.9446 37.4545 -19.5827 TIMING: 1248000 CPU: 3943.7, 0.00315376/step Wall: 3943.7, 0.00315376/step, 3.28692 hours remaining, 233.960938 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: 1248000 3987.7079 20576.2251 14463.0280 242.8052 -203272.4491 2829.2456 0.0000 0.0000 52026.5288 -109146.9086 298.9972 -161173.4374 -108782.1183 299.2594 77.1699 108.1111 763129.1892 -2.8666 -3.0364 PRESSURE: 1248200 -165.512 94.7647 -91.1852 94.7641 119.683 -66.928 -91.1859 -66.9281 153.739 GPRESSURE: 1248200 -69.242 23.0309 28.8354 177.762 99.9665 -33.8244 -165.208 -16.5552 180.352 PRESSAVG: 1248200 43.4237 54.4213 -19.1721 54.4214 -47.4713 9.03067 -19.1721 9.03079 14.068 GPRESSAVG: 1248200 42.8001 57.7247 -17.8605 54.8371 -47.728 9.30083 -19.6943 10.9468 15.1162 TIMING: 1248200 CPU: 3944.33, 0.00317233/step Wall: 3944.33, 0.00317233/step, 3.3061 hours remaining, 233.960938 MB of memory in use. ENERGY: 1248200 3940.0194 20633.5808 14404.3192 235.6172 -203114.4649 2754.4617 0.0000 0.0000 52072.2390 -109074.2276 299.2599 -161146.4666 -108717.6910 299.2558 35.9703 70.3588 763791.2521 3.3401 3.3961 LDB: ============= START OF LOAD BALANCING ============== 3956.86 LDB: ============== END OF LOAD BALANCING =============== 3956.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3956.87 LDB: ============= START OF LOAD BALANCING ============== 3957.19 LDB: Largest compute 7042 load 0.031785 is 16.3% of average load 0.195454 LDB: Average compute 0.004391 is 2.2% of average load 0.195454 LDB: TIME 3957.19 LOAD: AVG 0.195454 MAX 0.21447 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.715 MB LDB: TIME 3957.19 LOAD: AVG 0.195454 MAX 0.21447 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.922 MB LDB: TIME 3957.19 LOAD: AVG 0.195454 MAX 0.21447 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.922 MB LDB: ============== END OF LOAD BALANCING =============== 3957.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3957.2 PRESSURE: 1248400 751.399 -201.686 168.348 -201.686 74.8256 -49.2825 168.348 -49.2826 18.5278 GPRESSURE: 1248400 713.182 -286.854 224.687 -261.7 119.669 -77.641 89.1702 66.0526 86.6463 PRESSAVG: 1248400 32.7793 -9.2404 8.13482 -9.24043 -16.1133 29.007 8.13484 29.0069 24.2449 GPRESSAVG: 1248400 31.8535 -8.09285 8.47544 -10.1567 -14.5794 29.6343 7.27307 28.1636 23.5013 TIMING: 1248400 CPU: 3944.98, 0.00323459/step Wall: 3944.98, 0.00323458/step, 3.3708 hours remaining, 232.675781 MB of memory in use. ENERGY: 1248400 3985.2197 20540.0173 14541.7492 246.5822 -203574.8803 2978.4657 0.0000 0.0000 52302.0150 -108980.8311 300.5804 -161282.8461 -108623.2622 299.4952 281.5842 306.4992 761790.1267 13.6370 13.5918 PRESSURE: 1248600 -231.907 149.545 -195.456 149.545 177.905 -106.679 -195.456 -106.68 161.169 GPRESSURE: 1248600 -178.173 241.098 -237.039 108.236 209.307 -58.459 -46.421 -65.639 157.776 PRESSAVG: 1248600 -18.2742 -5.10366 4.23169 -5.10368 35.7719 24.8983 4.23165 24.8984 -3.36699 GPRESSAVG: 1248600 -18.7223 -7.4377 2.52968 -4.17948 34.8497 24.0119 5.49264 27.3848 -2.30348 TIMING: 1248600 CPU: 3945.61, 0.00317603/step Wall: 3945.61, 0.00317603/step, 3.3096 hours remaining, 232.675781 MB of memory in use. ENERGY: 1248600 3970.8411 20588.3640 14456.9861 253.0332 -203535.9300 2801.0081 0.0000 0.0000 52243.2421 -109222.4554 300.2426 -161465.6975 -108853.0174 299.4682 35.7226 62.9702 762602.0988 4.7102 4.6080 PRESSURE: 1248800 304.564 7.42783 27.5437 7.42858 94.7992 91.7138 27.5433 91.715 -35.3272 GPRESSURE: 1248800 302.9 -93.4634 -49.9274 -28.95 200.861 36.5969 -37.8617 85.0276 -54.0243 PRESSAVG: 1248800 -24.7061 27.3986 -30.12 27.3987 32.3989 -14.5455 -30.12 -14.5455 16.0528 GPRESSAVG: 1248800 -25.1368 26.7924 -31.0832 27.72 33.9664 -14.644 -28.6193 -12.7527 14.9403 TIMING: 1248800 CPU: 3946.25, 0.00319787/step Wall: 3946.25, 0.00319787/step, 3.33218 hours remaining, 232.675781 MB of memory in use. ENERGY: 1248800 3938.2443 20490.1948 14496.4369 249.9206 -203394.9963 2713.7256 0.0000 0.0000 52178.0483 -109328.4257 299.8680 -161506.4740 -108965.6965 299.4575 121.3452 149.9121 762896.9118 7.9152 7.9233 PRESSURE: 1249000 -51.3794 -42.6127 -86.2266 -42.6119 -144.197 254.513 -86.2268 254.514 252.906 GPRESSURE: 1249000 -65.5198 -70.5837 -38.0913 -131.07 -91.4169 258.243 -37.6154 177.53 273.47 PRESSAVG: 1249000 -5.93864 -19.6893 11.5405 -19.6894 30.0365 -31.6838 11.5404 -31.6838 -10.3271 GPRESSAVG: 1249000 -5.17391 -17.4459 11.0144 -20.8007 28.906 -29.6171 11.538 -35.2206 -10.1068 TIMING: 1249000 CPU: 3946.89, 0.00317929/step Wall: 3946.89, 0.00317929/step, 3.31265 hours remaining, 232.675781 MB of memory in use. ENERGY: 1249000 3952.5487 20500.1160 14429.1018 252.6720 -203289.3155 2757.3337 0.0000 0.0000 52078.1345 -109319.4088 299.2938 -161397.5433 -108952.0783 299.3425 19.1096 38.8445 763372.0798 4.5903 4.5418 PRESSURE: 1249200 -33.1321 -6.48086 151.788 -6.48085 -236.541 -43.7227 151.789 -43.7218 -274.965 GPRESSURE: 1249200 59.468 -49.7038 166.748 186.203 -231.379 15.8757 262.904 -101.838 -279.049 PRESSAVG: 1249200 -29.8142 -36.0249 34.1337 -36.025 56.7029 -6.43782 34.1337 -6.4378 12.2546 GPRESSAVG: 1249200 -30.2384 -37.3298 35.8255 -35.4255 57.0117 -6.18759 32.6784 -6.53012 12.11 TIMING: 1249200 CPU: 3947.52, 0.00314603/step Wall: 3947.52, 0.00314603/step, 3.27782 hours remaining, 232.675781 MB of memory in use. ENERGY: 1249200 3943.6941 20633.6213 14518.0769 255.0931 -203185.0681 2574.2803 0.0000 0.0000 51997.7502 -109262.5523 298.8318 -161260.3025 -108891.4982 298.5690 -181.5458 -150.3201 762783.8524 13.0478 12.9611 PRESSURE: 1249400 -74.9723 -212.263 -65.0226 -212.263 46.0758 10.1164 -65.0227 10.1154 -422.766 GPRESSURE: 1249400 -122.263 -254.774 -14.7659 -287.157 133.802 10.1762 -184.674 81.2145 -401.955 PRESSAVG: 1249400 -38.437 -36.444 42.0085 -36.4441 28.6616 4.05355 42.0085 4.05357 10.6393 GPRESSAVG: 1249400 -37.3333 -35.5029 43.6445 -36.2491 27.2941 3.3777 39.5911 4.34245 11.5735 TIMING: 1249400 CPU: 3948.15, 0.00314678/step Wall: 3948.15, 0.00314678/step, 3.27842 hours remaining, 232.675781 MB of memory in use. ENERGY: 1249400 3935.2706 20589.1886 14476.3732 243.8395 -203258.8182 2511.4640 0.0000 0.0000 52064.3156 -109438.3667 299.2143 -161502.6822 -109074.0235 298.6608 -150.5541 -130.1385 762503.3869 0.2880 0.5114 PRESSURE: 1249600 191.221 174.248 342.569 174.247 -289.024 195.98 342.57 195.98 -275.424 GPRESSURE: 1249600 204.698 121.899 273.918 209.177 -213.914 106.462 476.275 260.381 -275.167 PRESSAVG: 1249600 -12.4135 -2.75857 -45.0939 -2.75857 12.146 23.7798 -45.0938 23.7797 -7.30206 GPRESSAVG: 1249600 -12.2525 -3.63351 -45.6703 -5.59561 13.9884 22.9366 -42.2988 25.6472 -8.97421 TIMING: 1249600 CPU: 3948.78, 0.0031711/step Wall: 3948.78, 0.0031711/step, 3.30358 hours remaining, 232.675781 MB of memory in use. ENERGY: 1249600 4039.5986 20617.8405 14560.6315 255.5510 -203016.8721 2463.7171 0.0000 0.0000 51796.7438 -109282.7896 297.6766 -161079.5334 -108922.9544 298.5438 -124.4090 -94.7942 762845.2972 -2.5232 -2.4127 PRESSURE: 1249800 -127.047 30.9655 38.4733 30.9654 267.459 8.86122 38.4734 8.86119 223.033 GPRESSURE: 1249800 -45.484 131.043 125.86 -78.6561 263.482 42.4221 59.571 -25.0343 237.178 PRESSAVG: 1249800 32.1184 1.94404 -8.02249 1.94399 -48.8382 45.6375 -8.02238 45.6375 2.85205 GPRESSAVG: 1249800 33.0601 3.81418 -8.17036 4.66468 -49.8471 45.3166 -7.36659 43.5635 3.05185 TIMING: 1249800 CPU: 3949.42, 0.00317872/step Wall: 3949.42, 0.00317872/step, 3.31134 hours remaining, 232.675781 MB of memory in use. ENERGY: 1249800 3931.5670 20495.6063 14477.9279 251.0374 -203254.1362 2734.3062 0.0000 0.0000 52000.6813 -109363.0101 298.8486 -161363.6914 -108994.4695 299.2162 121.1483 151.7255 762566.4244 -4.6226 -4.5784 PRESSURE: 1250000 374.717 197.262 137.847 197.262 5.47235 61.5023 137.848 61.5018 57.3636 GPRESSURE: 1250000 334.063 178.471 173.343 48.6089 155.355 103.487 98.8584 24.0974 39.067 PRESSAVG: 1250000 15.776 30.6397 -3.93204 30.6397 -15.7341 -8.11153 -3.93205 -8.11153 -5.68926 GPRESSAVG: 1250000 14.7911 30.2695 -5.54259 30.2868 -15.2232 -7.81739 -4.15995 -7.49714 -5.2889 TIMING: 1250000 CPU: 3950.05, 0.00317634/step Wall: 3950.05, 0.00317634/step, 3.30869 hours remaining, 232.675781 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: 1250000 3972.1553 20610.7644 14488.7993 238.9277 -203373.5187 2722.6014 0.0000 0.0000 51849.4682 -109490.8023 297.9796 -161340.2705 -109128.2857 298.8595 145.8511 176.1617 761877.6890 -1.8824 -1.9070 PRESSURE: 1250200 -60.6611 -19.842 -0.872198 -19.8416 -616.176 -5.59557 -0.871766 -5.59753 -121.76 GPRESSURE: 1250200 -177.187 21.3533 -19.4492 -132.055 -444.565 -20.2918 37.14 -15.0722 -86.0672 PRESSAVG: 1250200 22.5295 2.64472 13.5554 2.64472 -1.51788 40.3751 13.5554 40.3751 -19.7198 GPRESSAVG: 1250200 21.66 2.00722 13.9526 1.13445 -1.73634 40.2472 14.2993 39.6092 -18.7154 TIMING: 1250200 CPU: 3950.69, 0.00317484/step Wall: 3950.69, 0.00317484/step, 3.30695 hours remaining, 232.675781 MB of memory in use. ENERGY: 1250200 4008.7603 20418.9845 14503.5679 267.3951 -203365.2181 2608.5147 0.0000 0.0000 51976.1799 -109581.8156 298.7078 -161557.9955 -109221.4077 298.3149 -266.1992 -235.9399 761013.9567 0.4306 0.4027 PRESSURE: 1250400 8.76023 -227.609 218.791 -227.609 13.9178 26.8834 218.791 26.886 -377.457 GPRESSURE: 1250400 126.085 -238.221 210.088 -239.151 -107.542 15.6597 174.225 15.0673 -291.491 PRESSAVG: 1250400 -2.0571 -13.6567 8.09768 -13.6567 -16.9411 -37.8539 8.09762 -37.8539 10.8026 GPRESSAVG: 1250400 -1.0071 -14.258 8.6324 -11.2372 -17.3653 -37.7576 6.0097 -37.3658 10.1767 TIMING: 1250400 CPU: 3951.33, 0.00318923/step Wall: 3951.33, 0.00318923/step, 3.32176 hours remaining, 232.675781 MB of memory in use. ENERGY: 1250400 3928.1114 20399.9760 14549.7985 241.9195 -203214.5295 2585.2371 0.0000 0.0000 52183.4677 -109326.0193 299.8991 -161509.4870 -108967.3892 299.5403 -118.2597 -90.9826 762854.2497 -2.7319 -2.7319 PRESSURE: 1250600 52.2646 -21.7377 -91.1789 -21.7375 314.177 151.146 -91.1792 151.146 443.841 GPRESSURE: 1250600 170.698 -65.5061 -108.61 -19.4131 365.473 140.434 -123.504 171.215 343.21 PRESSAVG: 1250600 4.09908 14.5419 9.53588 14.5419 -23.5427 -6.63677 9.53581 -6.63673 -19.2365 GPRESSAVG: 1250600 4.07419 12.1565 10.0327 15.188 -24.3394 -5.07498 7.8387 -6.99252 -19.0186 TIMING: 1250600 CPU: 3951.96, 0.00318343/step Wall: 3951.96, 0.00318343/step, 3.31555 hours remaining, 232.675781 MB of memory in use. ENERGY: 1250600 3946.6829 20509.4159 14498.2544 231.5633 -203617.0462 3126.2779 0.0000 0.0000 52252.1655 -109052.6863 300.2939 -161304.8517 -108700.7385 299.8239 270.0942 293.1272 762451.6633 -12.8934 -13.0946 PRESSURE: 1250800 29.9635 -49.3447 247.795 -49.3443 10.6695 -15.6909 247.795 -15.6913 152.615 GPRESSURE: 1250800 68.3839 -162.028 191.885 -36.7213 85.8941 -0.854134 177.253 73.0252 136.512 PRESSAVG: 1250800 27.9707 21.1215 46.1855 21.1215 3.88338 -1.6297 46.1854 -1.62974 27.2351 GPRESSAVG: 1250800 27.3956 24.0989 45.8384 18.7211 4.38263 -3.44337 47.4588 -0.317549 27.4528 TIMING: 1250800 CPU: 3952.6, 0.00317597/step Wall: 3952.6, 0.00317597/step, 3.3076 hours remaining, 232.675781 MB of memory in use. ENERGY: 1250800 4086.0092 20542.3672 14471.7893 257.8111 -203285.6497 2639.5027 0.0000 0.0000 52079.6823 -109208.4880 299.3027 -161288.1704 -108834.2554 299.7345 64.4159 96.9300 761556.2556 19.6964 19.7437 PRESSURE: 1251000 -101.121 153.847 73.2332 153.847 87.6849 60.3064 73.2326 60.3076 -34.6829 GPRESSURE: 1251000 -38.3322 294.75 75.671 168.992 146.177 93.0937 78.6708 -48.5853 -107.827 PRESSAVG: 1251000 9.78685 -57.5745 -19.7318 -57.5746 -28.4082 1.10489 -19.7318 1.10484 -0.0495584 GPRESSAVG: 1251000 10.3259 -57.4634 -19.6937 -57.2999 -28.1323 1.88699 -21.1539 -0.0990962 -1.3928 TIMING: 1251000 CPU: 3953.23, 0.00317245/step Wall: 3953.23, 0.00317245/step, 3.30375 hours remaining, 232.675781 MB of memory in use. ENERGY: 1251000 4010.7196 20629.2658 14470.8370 248.8649 -203008.3184 2683.8741 0.0000 0.0000 51952.3475 -109012.4096 298.5709 -160964.7571 -108654.4420 299.8173 -16.0398 0.0059 763455.2901 -6.2236 -6.3997 PRESSURE: 1251200 205.151 74.6125 -67.6617 74.6115 146.554 -105.816 -67.6629 -105.816 283.214 GPRESSURE: 1251200 287.004 31.8198 -89.2121 165.245 162.731 -191.459 -165.528 63.4297 228.319 PRESSAVG: 1251200 51.5644 9.57141 -6.82405 9.57141 -64.2898 -18.7178 -6.82413 -18.7177 -4.45061 GPRESSAVG: 1251200 51.0267 8.2373 -4.99272 11.5148 -65.1938 -18.9386 -6.62742 -18.1724 -3.38937 TIMING: 1251200 CPU: 3953.87, 0.00316681/step Wall: 3953.87, 0.00316681/step, 3.29771 hours remaining, 232.675781 MB of memory in use. ENERGY: 1251200 3983.3878 20576.1023 14477.1340 238.3090 -203414.4973 2846.0503 0.0000 0.0000 52022.4781 -109271.0358 298.9739 -161293.5139 -108906.7919 299.4813 211.6398 226.0181 764218.0436 -5.7253 -5.8522 PRESSURE: 1251400 24.3813 140.648 129.487 140.648 3.34556 -99.7616 129.488 -99.7615 -68.703 GPRESSURE: 1251400 8.62533 156.733 150.684 118.849 53.5174 -87.1212 95.5071 -192.432 -30.8585 PRESSAVG: 1251400 -11.0654 -45.5878 21.3306 -45.5878 66.485 3.76929 21.3305 3.76932 7.11486 GPRESSAVG: 1251400 -11.1745 -44.4887 19.872 -47.297 66.6626 2.901 22.3398 1.48132 7.22729 TIMING: 1251400 CPU: 3954.5, 0.00318116/step Wall: 3954.5, 0.00318116/step, 3.31247 hours remaining, 232.675781 MB of memory in use. ENERGY: 1251400 3990.8841 20487.8592 14474.6032 236.2441 -203101.2682 2561.1447 0.0000 0.0000 51927.0491 -109423.4838 298.4255 -161350.5329 -109068.3076 298.8928 -13.6587 10.4281 763103.8836 20.8448 20.9051 PRESSURE: 1251600 -172.114 -66.5201 -143.988 -66.5204 -490.901 1.95424 -143.988 1.95434 181.104 GPRESSURE: 1251600 -115.716 -134.675 -43.8167 -208.787 -447.818 104.37 -207.958 -53.0697 167.396 PRESSAVG: 1251600 18.7336 -12.8144 -15.5144 -12.8144 -20.1489 15.0569 -15.5144 15.0569 -0.916974 GPRESSAVG: 1251600 18.8358 -14.8668 -14.4761 -13.1319 -18.9325 15.58 -13.5668 14.8622 -1.72203 TIMING: 1251600 CPU: 3955.14, 0.00316898/step Wall: 3955.14, 0.00316898/step, 3.29962 hours remaining, 232.675781 MB of memory in use. ENERGY: 1251600 4026.2073 20666.8418 14528.4857 263.0653 -203583.6161 2765.8493 0.0000 0.0000 52137.6701 -109195.4967 299.6359 -161333.1668 -108845.2950 299.2542 -160.6371 -132.0461 761850.0488 -0.7774 -0.6062 PRESSURE: 1251800 -186.97 127.665 -15.7486 127.666 -84.7226 11.2219 -15.748 11.2212 -143.811 GPRESSURE: 1251800 -182.299 65.7976 90.0234 -22.0723 -5.28569 0.553825 -43.6616 4.9266 -137.616 PRESSAVG: 1251800 -27.0233 -22.2076 -5.93209 -22.2076 -17.4872 38.7963 -5.93203 38.7963 14.992 GPRESSAVG: 1251800 -27.6112 -23.4823 -7.48717 -20.5622 -17.8689 36.7438 -7.23319 41.6395 15.9071 TIMING: 1251800 CPU: 3955.77, 0.00317498/step Wall: 3955.77, 0.00317498/step, 3.30568 hours remaining, 232.675781 MB of memory in use. ENERGY: 1251800 4042.6743 20593.6489 14493.4892 254.4932 -203668.8949 2960.9014 0.0000 0.0000 52064.7568 -109258.9310 299.2169 -161323.6877 -108890.8548 298.8546 -138.5014 -108.4002 763170.4923 -9.8395 -9.8577 PRESSURE: 1252000 -424.291 134.072 -92.5182 134.071 -272.782 8.41049 -92.5181 8.41021 -556.016 GPRESSURE: 1252000 -367.333 165.399 -25.1516 64.2881 -256.822 81.1316 -65.9236 76.707 -505.811 PRESSAVG: 1252000 21.8434 -12.1562 15.5388 -12.1562 1.27886 49.822 15.5388 49.8221 10.3205 GPRESSAVG: 1252000 22.256 -9.18051 15.3797 -14.5479 1.21692 51.3894 15.7711 50.7583 9.91157 TIMING: 1252000 CPU: 3956.4, 0.00315782/step Wall: 3956.4, 0.00315782/step, 3.28764 hours remaining, 232.675781 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: 1252000 4079.9851 20529.9726 14480.3513 237.4977 -203283.1580 2596.9264 0.0000 0.0000 52090.9685 -109267.4564 299.3675 -161358.4249 -108917.6050 299.6660 -417.6959 -376.6553 763902.3746 11.1476 11.1282 PRESSURE: 1252200 81.9781 -142.119 212.644 -142.118 21.2815 -43.2058 212.643 -43.2065 173.795 GPRESSURE: 1252200 178.567 -107.381 81.8273 15.4849 -51.6112 -51.1237 169.117 -54.3567 222.864 PRESSAVG: 1252200 54.239 20.6493 11.1344 20.6493 -63.3848 60.9927 11.1344 60.9927 -2.09972 GPRESSAVG: 1252200 54.471 21.8719 11.567 20.8397 -64.3129 62.2132 11.0384 57.9001 -1.94914 TIMING: 1252200 CPU: 3957.04, 0.00317191/step Wall: 3957.04, 0.00317191/step, 3.30213 hours remaining, 232.675781 MB of memory in use. ENERGY: 1252200 3967.5748 20641.8058 14434.8481 250.5250 -203230.8525 2791.5414 0.0000 0.0000 52068.5835 -109075.9740 299.2389 -161144.5575 -108722.0775 299.4683 92.3514 116.6069 764790.9139 -3.7485 -3.9304 LDB: ============= START OF LOAD BALANCING ============== 3969.57 LDB: ============== END OF LOAD BALANCING =============== 3969.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3969.58 LDB: ============= START OF LOAD BALANCING ============== 3969.89 LDB: Largest compute 7042 load 0.031304 is 16.0% of average load 0.195345 LDB: Average compute 0.004411 is 2.3% of average load 0.195345 LDB: TIME 3969.9 LOAD: AVG 0.195345 MAX 0.212417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.773 MB LDB: TIME 3969.9 LOAD: AVG 0.195345 MAX 0.212417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.777 MB LDB: TIME 3969.9 LOAD: AVG 0.195345 MAX 0.212417 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.777 MB LDB: ============== END OF LOAD BALANCING =============== 3969.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3969.9 PRESSURE: 1252400 -94.0518 -120.146 -58.6542 -120.147 403.685 250.818 -58.6538 250.82 209.028 GPRESSURE: 1252400 -21.7348 -87.5996 -48.0032 -272.473 447.272 237.82 -49.719 210.056 176.494 PRESSAVG: 1252400 48.7432 30.2414 -36.2852 30.2415 -61.6905 50.6976 -36.2852 50.6976 -1.8237 GPRESSAVG: 1252400 50.2078 29.3731 -37.0972 31.3667 -62.3056 50.1523 -34.8331 51.7339 -2.39718 TIMING: 1252400 CPU: 3957.69, 0.0032541/step Wall: 3957.69, 0.0032541/step, 3.38752 hours remaining, 232.734375 MB of memory in use. ENERGY: 1252400 3902.9446 20710.3626 14456.9467 220.9410 -203744.9496 3219.7730 0.0000 0.0000 52255.5252 -108978.4565 300.3132 -161233.9817 -108619.7968 299.8145 172.8871 200.6771 763826.1883 -4.9236 -4.8317 PRESSURE: 1252600 -53.0621 -235.622 -45.6491 -235.622 -192.687 21.0352 -45.649 21.034 -311.616 GPRESSURE: 1252600 7.44011 -286.189 -40.9427 -101.674 -78.8142 -12.4592 5.14219 -29.5089 -393.193 PRESSAVG: 1252600 -43.4317 48.5423 -53.3025 48.5423 45.0202 29.7357 -53.3025 29.7358 4.67671 GPRESSAVG: 1252600 -45.4043 48.6796 -52.4811 49.3264 46.3265 29.0367 -54.7853 30.0607 5.74259 TIMING: 1252600 CPU: 3958.33, 0.00318472/step Wall: 3958.33, 0.00318472/step, 3.31512 hours remaining, 232.937500 MB of memory in use. ENERGY: 1252600 3989.9724 20730.0526 14551.8098 247.7708 -203041.0283 2512.1153 0.0000 0.0000 51996.8895 -109012.4180 298.8268 -161009.3074 -108661.6002 299.7822 -185.7884 -154.8557 763914.3460 2.0884 2.2216 PRESSURE: 1252800 -95.0311 86.2605 1.53433 86.2602 30.5502 -73.2458 1.53453 -73.2466 82.705 GPRESSURE: 1252800 -72.1356 161.211 45.0071 57.7389 63.0038 -98.3456 -54.1576 90.4466 119.525 PRESSAVG: 1252800 -7.17891 -24.7806 12.0974 -24.7807 8.01688 -33.646 12.0974 -33.646 -0.0119053 GPRESSAVG: 1252800 -6.24355 -24.2932 11.9363 -25.7025 7.70832 -32.6791 12.5384 -34.7113 -1.18515 TIMING: 1252800 CPU: 3958.96, 0.00316156/step Wall: 3958.96, 0.00316156/step, 3.29083 hours remaining, 232.937500 MB of memory in use. ENERGY: 1252800 4036.8549 20482.0667 14540.8714 262.8134 -203302.6600 2704.2537 0.0000 0.0000 52145.8258 -109129.9740 299.6828 -161275.7999 -108760.3652 299.6004 6.0747 36.7977 762352.2836 0.2754 0.0932 PRESSURE: 1253000 -147.851 125.123 43.0333 125.123 249.412 57.1428 43.0329 57.1424 265.27 GPRESSURE: 1253000 -118.218 174.473 77.1347 207.161 246.558 124.317 -69.8442 -97.3389 334.544 PRESSAVG: 1253000 -35.1935 6.83534 20.3719 6.83539 21.8055 52.2139 20.3718 52.2139 -20.4965 GPRESSAVG: 1253000 -36.6689 6.92167 21.0214 8.00407 22.997 52.2353 18.2404 51.8604 -20.7084 TIMING: 1253000 CPU: 3959.6, 0.00318933/step Wall: 3959.6, 0.00318933/step, 3.31957 hours remaining, 232.937500 MB of memory in use. ENERGY: 1253000 3965.2492 20541.2759 14407.8183 249.6262 -203088.7703 2626.2679 0.0000 0.0000 52392.5246 -108906.0082 301.1006 -161298.5329 -108543.6043 300.2022 122.2770 154.2948 762860.4374 -11.2948 -11.4601 PRESSURE: 1253200 252.921 234.389 45.3369 234.389 19.8747 -171.023 45.3361 -171.024 67.8508 GPRESSURE: 1253200 249.545 265.576 0.317066 80.7093 85.1546 -121.344 38.0138 -163.294 94.083 PRESSAVG: 1253200 25.7034 82.9345 -8.98511 82.9346 -25.5065 88.5155 -8.98514 88.5155 -6.91212 GPRESSAVG: 1253200 27.1755 83.5049 -8.42352 81.6399 -27.9255 88.5755 -8.61085 90.1868 -6.21767 TIMING: 1253200 CPU: 3960.23, 0.00318227/step Wall: 3960.23, 0.00318227/step, 3.31204 hours remaining, 232.937500 MB of memory in use. ENERGY: 1253200 3947.1948 20515.4802 14480.2694 242.4138 -203300.2838 2836.7051 0.0000 0.0000 52209.2835 -109068.9371 300.0475 -161278.2206 -108702.6583 299.9548 113.5487 142.9274 763153.5033 -2.2384 -2.3226 PRESSURE: 1253400 -52.8727 -129.921 30.2995 -129.921 24.2434 319.599 30.2995 319.6 -172.754 GPRESSURE: 1253400 77.5885 -90.2129 29.7966 -30.1513 -27.0648 237.41 164.207 194.128 -174.164 PRESSAVG: 1253400 3.75058 16.9096 8.51641 16.9095 -22.3462 5.80365 8.51632 5.80359 8.00343 GPRESSAVG: 1253400 3.75658 14.0487 8.26007 16.6447 -21.9195 5.59225 11.2837 3.27794 7.39295 TIMING: 1253400 CPU: 3960.87, 0.00317925/step Wall: 3960.87, 0.00317925/step, 3.30872 hours remaining, 232.937500 MB of memory in use. ENERGY: 1253400 4075.4233 20602.7857 14561.3454 247.5985 -203150.6515 2752.3067 0.0000 0.0000 51931.7009 -108979.4910 298.4522 -160911.1919 -108616.9351 299.4637 -67.1277 -41.2134 764278.1246 -3.5307 -3.5900 PRESSURE: 1253600 -239.546 -114.964 -232.848 -114.963 -49.9071 -119.79 -232.848 -119.791 -233.681 GPRESSURE: 1253600 -99.5701 -167.911 -88.7829 -106.965 -142.136 16.1705 -186.484 -33.5512 -189.623 PRESSAVG: 1253600 -7.54624 7.31999 -17.8808 7.32003 -24.6758 8.38403 -17.8808 8.38401 -7.8257 GPRESSAVG: 1253600 -7.96631 8.3691 -17.7798 7.64269 -25.8609 6.27873 -18.8675 11.725 -6.53868 TIMING: 1253600 CPU: 3961.5, 0.00316908/step Wall: 3961.5, 0.00316908/step, 3.29796 hours remaining, 232.937500 MB of memory in use. ENERGY: 1253600 3956.5943 20452.7156 14438.3168 248.1527 -203095.9139 2554.9193 0.0000 0.0000 52104.1108 -109341.1044 299.4430 -161445.2152 -108966.8497 299.0720 -174.3783 -143.7764 764387.4261 -13.3493 -13.4553 PRESSURE: 1253800 79.1585 186.386 -224.911 186.385 51.1711 -74.0289 -224.912 -74.0288 235.063 GPRESSURE: 1253800 116.381 194.03 -185.505 174.308 27.7644 -63.8676 -322.683 -66.1494 285.741 PRESSAVG: 1253800 55.3314 8.43739 -4.62418 8.43737 -43.2345 27.0531 -4.62418 27.0532 14.3491 GPRESSAVG: 1253800 55.3201 8.62551 -5.52544 8.61039 -41.8351 28.9138 -4.40647 25.6922 13.7266 TIMING: 1253800 CPU: 3962.14, 0.0031789/step Wall: 3962.14, 0.0031789/step, 3.308 hours remaining, 232.937500 MB of memory in use. ENERGY: 1253800 3947.8471 20349.6420 14490.4178 254.9433 -203773.9747 3158.8563 0.0000 0.0000 52179.9872 -109392.2810 299.8791 -161572.2682 -109024.1246 299.0051 121.7976 143.2954 762959.0092 8.8153 9.0705 PRESSURE: 1254000 13.0908 -20.5203 -91.6269 -20.5206 -167.657 -73.4588 -91.6267 -73.4591 -53.291 GPRESSURE: 1254000 25.6527 -18.7881 -148.164 -19.9128 -149.913 -30.5861 12.6421 -106.895 -0.724011 PRESSAVG: 1254000 50.428 -15.2434 -19.3027 -15.2434 -8.6845 -14.1426 -19.3027 -14.1427 17.6779 GPRESSAVG: 1254000 49.4513 -14.6988 -19.8009 -15.6277 -8.87526 -13.4279 -17.6982 -16.4088 19.0716 TIMING: 1254000 CPU: 3962.77, 0.00317303/step Wall: 3962.77, 0.00317303/step, 3.30171 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: 1254000 3992.8796 20487.7093 14547.7045 256.0567 -203330.0106 2747.1528 0.0000 0.0000 51980.9655 -109317.5422 298.7353 -161298.5077 -108956.9703 299.2053 -69.2856 -41.6616 762389.7719 19.8071 19.8825 PRESSURE: 1254200 -85.7503 -63.4467 -130.13 -63.4468 -18.067 80.8238 -130.13 80.8235 134.055 GPRESSURE: 1254200 -51.6359 2.69431 -97.5814 -81.4019 -17.6047 115.105 -40.4802 247.953 167.416 PRESSAVG: 1254200 -31.0084 -27.3147 20.7777 -27.3147 26.1238 1.03656 20.7776 1.03658 18.1939 GPRESSAVG: 1254200 -30.6505 -26.7456 21.5766 -27.9929 25.5604 -0.498591 18.176 3.30336 17.8459 TIMING: 1254200 CPU: 3963.41, 0.0031699/step Wall: 3963.41, 0.0031699/step, 3.29828 hours remaining, 232.937500 MB of memory in use. ENERGY: 1254200 3978.9474 20433.5133 14422.7182 233.3744 -203239.0557 2730.5429 0.0000 0.0000 52158.5282 -109281.4314 299.7558 -161439.9596 -108917.5923 298.8131 10.0794 32.7251 761535.2260 4.4364 4.2520 PRESSURE: 1254400 107.15 -39.6948 -49.0623 -39.696 -102.44 -110.83 -49.0634 -110.83 125.354 GPRESSURE: 1254400 83.4101 10.3381 12.3092 -52.0815 60.6453 -72.3652 -169.8 -137.623 55.047 PRESSAVG: 1254400 -65.6652 13.0379 13.7141 13.0378 50.0638 66.9761 13.7141 66.9761 11.9698 GPRESSAVG: 1254400 -64.8862 14.0115 12.4241 13.5485 50.6443 68.3626 14.6478 66.2657 10.2243 TIMING: 1254400 CPU: 3964.04, 0.00315102/step Wall: 3964.04, 0.00315102/step, 3.27846 hours remaining, 232.937500 MB of memory in use. ENERGY: 1254400 3985.8476 20380.5186 14507.1912 247.5554 -203358.5397 2670.2854 0.0000 0.0000 52052.4794 -109514.6620 299.1463 -161567.1414 -109154.7710 299.2491 43.3547 66.3675 762606.4845 -1.2106 -1.3392 PRESSURE: 1254600 -246.37 -105.91 -347.112 -105.911 -281.742 -211.008 -347.113 -211.007 -559.04 GPRESSURE: 1254600 -226.313 -32.6198 -267.948 36.1302 -323.948 -112.88 -417.027 -169.689 -462.964 PRESSAVG: 1254600 8.25343 -5.10752 4.86277 -5.1075 19.0497 -16.4171 4.86277 -16.4171 29.9546 GPRESSAVG: 1254600 8.27084 -6.64824 6.28586 -4.25378 18.1549 -15.6436 4.37097 -18.7901 31.3321 TIMING: 1254600 CPU: 3964.67, 0.0031585/step Wall: 3964.67, 0.0031585/step, 3.28607 hours remaining, 232.937500 MB of memory in use. ENERGY: 1254600 4069.0740 20456.3055 14522.9927 265.1834 -203441.9196 2512.4616 0.0000 0.0000 51931.1418 -109684.7606 298.4490 -161615.9024 -109336.2844 298.9249 -362.3842 -337.7419 762530.5944 19.0859 19.2526 PRESSURE: 1254800 -407.958 273.115 1.09208 273.115 -197.706 42.1314 1.09137 42.1323 -298.028 GPRESSURE: 1254800 -435.305 318.137 93.8538 220.17 -148.941 -23.5438 196.897 -146.709 -226.166 PRESSAVG: 1254800 33.0615 -30.7442 41.1627 -30.7442 -18.2906 27.0417 41.1627 27.0417 2.85694 GPRESSAVG: 1254800 32.7316 -29.9795 39.4654 -29.8397 -17.4856 25.4403 42.7962 28.6488 2.13016 TIMING: 1254800 CPU: 3965.3, 0.00317343/step Wall: 3965.3, 0.00317343/step, 3.30143 hours remaining, 232.937500 MB of memory in use. ENERGY: 1254800 4034.2072 20478.4266 14479.3426 229.7159 -203446.3673 2684.5070 0.0000 0.0000 51783.0469 -109757.1211 297.5979 -161540.1680 -109397.2971 298.7356 -301.2305 -270.1372 764592.0353 5.8760 5.7921 PRESSURE: 1255000 -291.022 -16.0055 37.8845 -16.0055 -338.435 -44.9066 37.885 -44.9068 -277.763 GPRESSURE: 1255000 -253.132 -54.2782 37.6031 -69.9408 -315.142 -43.6654 41.9602 -36.1089 -250.836 PRESSAVG: 1255000 -18.7437 17.5978 39.4373 17.5977 2.25182 -51.5361 39.4373 -51.536 -12.7454 GPRESSAVG: 1255000 -19.0737 15.4753 39.7139 17.0553 1.45319 -51.4146 39.294 -51.4957 -11.8628 TIMING: 1255000 CPU: 3965.94, 0.00316402/step Wall: 3965.94, 0.00316402/step, 3.29146 hours remaining, 232.937500 MB of memory in use. ENERGY: 1255000 4025.5902 20354.0682 14426.1684 231.7976 -203497.5388 2708.5929 0.0000 0.0000 51723.7289 -110027.5925 297.2570 -161751.3214 -109653.8079 298.2541 -302.4070 -273.0366 762480.2064 -9.7458 -9.8278 PRESSURE: 1255200 160.154 133.072 -51.75 133.072 359.539 263.053 -51.7503 263.052 102.231 GPRESSURE: 1255200 160.396 69.3692 -54.8195 175.954 330.161 238.984 16.7628 290.036 212.164 PRESSAVG: 1255200 30.9547 16.4996 3.813 16.4996 -14.6932 -4.62662 3.81304 -4.62676 -4.86182 GPRESSAVG: 1255200 30.4078 18.5902 3.79084 18.1965 -14.8034 -4.89305 3.86299 -4.30188 -4.96 TIMING: 1255200 CPU: 3966.57, 0.00316065/step Wall: 3966.57, 0.00316065/step, 3.28778 hours remaining, 232.937500 MB of memory in use. ENERGY: 1255200 3903.1698 20339.7451 14462.8888 239.8027 -203401.8750 2706.7798 0.0000 0.0000 51969.0981 -109780.3908 298.6671 -161749.4889 -109418.1730 297.7265 207.3079 234.2403 760853.0866 3.7999 3.5481 PRESSURE: 1255400 -3.92913 -79.4446 218.167 -79.4448 -137.468 -34.4059 218.167 -34.4059 163.797 GPRESSURE: 1255400 3.65953 45.3891 170.341 -67.8061 -103.72 -29.9085 214.007 -42.6793 205.273 PRESSAVG: 1255400 6.42589 22.0938 16.7605 22.0938 11.5028 22.6749 16.7605 22.6748 -9.28338 GPRESSAVG: 1255400 6.19928 24.4959 17.8957 19.6457 10.6733 22.9678 14.8432 22.7217 -7.37357 TIMING: 1255400 CPU: 3967.2, 0.00316676/step Wall: 3967.2, 0.00316676/step, 3.29396 hours remaining, 232.937500 MB of memory in use. ENERGY: 1255400 4023.3924 20499.6247 14480.8831 253.5965 -203591.4784 2617.5509 0.0000 0.0000 52034.4146 -109682.0162 299.0425 -161716.4308 -109325.6778 298.1731 7.4667 35.0709 763052.6393 2.8818 3.1663 PRESSURE: 1255600 -42.9958 -111.789 207.803 -111.788 -225.833 17.3917 207.803 17.3918 452.167 GPRESSURE: 1255600 -37.5774 -90.2862 73.1164 -148.393 -122.808 -72.4078 221.839 21.3993 414.062 PRESSAVG: 1255600 -5.87522 -10.3783 -63.9513 -10.3783 -0.344745 23.431 -63.9513 23.4311 0.0517128 GPRESSAVG: 1255600 -4.92603 -13.6297 -65.446 -8.03026 1.13982 23.5556 -62.1905 23.6263 -2.54089 TIMING: 1255600 CPU: 3967.83, 0.00315562/step Wall: 3967.83, 0.00315562/step, 3.28219 hours remaining, 232.937500 MB of memory in use. ENERGY: 1255600 4049.8885 20393.7527 14598.8425 251.3401 -203379.7722 2579.0766 0.0000 0.0000 51986.1903 -109520.6815 298.7654 -161506.8718 -109153.6745 298.5981 61.1129 84.5587 760832.6537 -2.0561 -2.1090 PRESSURE: 1255800 324.168 176.735 237.782 176.735 -358.207 51.6937 237.78 51.6943 -81.3695 GPRESSURE: 1255800 258.627 119.514 247.185 106.201 -246.738 27.808 257.533 11.5846 -41.2627 PRESSAVG: 1255800 2.03461 51.5929 2.05716 51.5929 23.8541 -20.1589 2.05708 -20.159 6.34805 GPRESSAVG: 1255800 2.35308 52.7347 2.7689 50.8308 24.0274 -20.6357 2.11735 -20.1266 6.34417 TIMING: 1255800 CPU: 3968.46, 0.00313798/step Wall: 3968.46, 0.00313798/step, 3.26368 hours remaining, 232.937500 MB of memory in use. ENERGY: 1255800 3952.8004 20627.1273 14548.2302 257.8894 -203644.5074 2733.8467 0.0000 0.0000 52070.9375 -109453.6758 299.2524 -161524.6133 -109094.9166 299.0468 -38.4695 -9.7912 761538.8686 10.7456 10.9082 PRESSURE: 1256000 -485.405 26.2133 -154.807 26.2133 -332.491 88.3975 -154.807 88.3978 -259.645 GPRESSURE: 1256000 -435.982 39.3815 -55.1167 -30.4465 -342.676 81.8792 -161.802 -48.6867 -212.692 PRESSAVG: 1256000 34.0274 -24.7091 -5.3763 -24.7091 17.1196 -3.98517 -5.37638 -3.98523 13.7497 GPRESSAVG: 1256000 33.3937 -25.3516 -4.33717 -24.4072 18.2845 -2.50388 -6.39152 -3.69256 13.3381 TIMING: 1256000 CPU: 3969.1, 0.00320017/step Wall: 3969.1, 0.00320017/step, 3.32818 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: 1256000 3956.6757 20461.0493 14549.8558 273.9326 -202987.1771 2224.5226 0.0000 0.0000 51797.0216 -109724.1195 297.6782 -161521.1411 -109362.9177 298.6818 -359.1802 -330.4500 761945.2324 21.6322 21.6721 PRESSURE: 1256200 -225.886 -38.9333 -12.6801 -38.933 202.255 119.67 -12.6806 119.67 -228.478 GPRESSURE: 1256200 -156.324 44.1987 -40.8814 -13.2017 108.711 111.173 -64.4028 174.979 -131.524 PRESSAVG: 1256200 -46.2981 -22.5487 10.7696 -22.5487 33.7106 9.3384 10.7696 9.33843 15.6995 GPRESSAVG: 1256200 -46.6641 -22.5359 9.71072 -21.4515 33.261 9.4975 11.7369 9.08348 16.4077 TIMING: 1256200 CPU: 3969.74, 0.00321221/step Wall: 3969.74, 0.00321221/step, 3.34052 hours remaining, 232.937500 MB of memory in use. ENERGY: 1256200 3977.3428 20714.6537 14480.7328 258.9246 -203310.1999 2481.1438 0.0000 0.0000 51857.3953 -109540.0069 298.0252 -161397.4022 -109178.1647 298.6022 -84.0362 -59.7122 759869.9537 1.0373 1.0016 LDB: ============= START OF LOAD BALANCING ============== 3982.28 LDB: ============== END OF LOAD BALANCING =============== 3982.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3982.28 LDB: ============= START OF LOAD BALANCING ============== 3982.6 LDB: Largest compute 7060 load 0.030033 is 15.4% of average load 0.195441 LDB: Average compute 0.004417 is 2.3% of average load 0.195441 LDB: TIME 3982.6 LOAD: AVG 0.195441 MAX 0.214836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.391 MB LDB: TIME 3982.6 LOAD: AVG 0.195441 MAX 0.214836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: TIME 3982.6 LOAD: AVG 0.195441 MAX 0.214836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.391 MB LDB: ============== END OF LOAD BALANCING =============== 3982.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3982.61 PRESSURE: 1256400 -318.433 24.8379 163.295 24.8378 132.422 -226.515 163.296 -226.516 -155.913 GPRESSURE: 1256400 -218.021 -41.0069 185.368 -32.1908 101.674 -204.241 69.0883 -171.887 -131.986 PRESSAVG: 1256400 -44.3515 0.78887 -9.09776 0.788843 52.3318 -0.297068 -9.0977 -0.297135 -24.9776 GPRESSAVG: 1256400 -42.8132 1.44105 -9.97344 -0.475173 50.3826 -1.01265 -8.21439 0.210134 -25.032 TIMING: 1256400 CPU: 3970.39, 0.00324713/step Wall: 3970.39, 0.00324713/step, 3.37665 hours remaining, 233.187500 MB of memory in use. ENERGY: 1256400 3954.2556 20804.5454 14453.3525 255.6178 -203236.9759 2647.2184 0.0000 0.0000 51977.3342 -109144.6521 298.7145 -161121.9863 -108781.6026 298.9490 -113.9746 -82.7778 760828.6120 -5.6658 -5.8209 PRESSURE: 1256600 -371.787 -15.6049 -192.706 -15.6046 -329.65 133.031 -192.706 133.031 -22.9859 GPRESSURE: 1256600 -256.131 18.9 -151.921 -115.295 -310.289 177.669 -171.016 128.954 -50.705 PRESSAVG: 1256600 -5.96678 26.9802 8.69841 26.9802 -10.0372 -19.8739 8.69845 -19.8739 13.4621 GPRESSAVG: 1256600 -6.56314 24.3397 10.3408 27.0348 -8.93918 -20.4864 6.67951 -19.0177 12.7916 TIMING: 1256600 CPU: 3971.02, 0.00315928/step Wall: 3971.02, 0.00315928/step, 3.28513 hours remaining, 233.187500 MB of memory in use. ENERGY: 1256600 4065.5185 20705.6361 14496.9956 235.0458 -203026.9702 2407.7371 0.0000 0.0000 51906.0391 -109209.9980 298.3047 -161116.0371 -108859.0587 299.6153 -241.4743 -205.7083 762111.6926 -0.8473 -0.9036 PRESSURE: 1256800 -198.04 100.491 11.4738 100.491 -221.817 115.438 11.473 115.439 -427.528 GPRESSURE: 1256800 -165.135 105.338 24.5685 107.52 -166.04 137.351 5.48791 -34.0236 -443.064 PRESSAVG: 1256800 -31.3777 29.1331 -11.9216 29.133 29.8025 16.5402 -11.9215 16.5402 -17.3984 GPRESSAVG: 1256800 -30.9878 32.1758 -14.4874 27.8838 28.5607 17.0651 -10.0859 14.321 -16.7539 TIMING: 1256800 CPU: 3971.66, 0.00315887/step Wall: 3971.66, 0.00315887/step, 3.28452 hours remaining, 233.187500 MB of memory in use. ENERGY: 1256800 4035.1129 20646.8061 14415.1070 248.8710 -203254.0834 2467.7303 0.0000 0.0000 52274.5582 -109165.8980 300.4226 -161440.4562 -108800.9645 299.6673 -282.4614 -258.0794 761620.6764 -6.3245 -6.3937 PRESSURE: 1257000 10.4055 133.354 132.699 133.354 -314.313 232.549 132.698 232.548 -303.321 GPRESSURE: 1257000 -52.8143 143.405 158.021 184.846 -239.22 174.836 93.8887 285.232 -230.668 PRESSAVG: 1257000 -29.7962 60.1701 -56.8319 60.1701 5.29651 -20.2911 -56.8319 -20.2911 16.1693 GPRESSAVG: 1257000 -29.6895 58.6859 -56.0195 61.9335 5.39174 -20.5139 -58.4415 -18.2943 16.2071 TIMING: 1257000 CPU: 3972.29, 0.00315869/step Wall: 3972.29, 0.00315869/step, 3.28416 hours remaining, 233.187500 MB of memory in use. ENERGY: 1257000 3979.6803 20759.5363 14440.0305 255.1924 -203051.6113 2449.8871 0.0000 0.0000 52220.8879 -108946.3968 300.1142 -161167.2847 -108584.7009 299.9314 -202.4096 -174.2341 762193.2310 -2.7768 -2.6969 PRESSURE: 1257200 -15.3245 -229.244 -114.325 -229.243 -255.644 -38.2715 -114.324 -38.2719 -122.296 GPRESSURE: 1257200 3.79566 -250.606 -149.463 -190.688 -214.252 -38.886 -211.576 2.61617 -92.2646 PRESSAVG: 1257200 69.5165 7.1039 -51.459 7.1039 -22.881 47.7799 -51.459 47.7799 -24.2052 GPRESSAVG: 1257200 68.6923 7.39586 -51.1095 5.86079 -22.1411 48.3798 -52.291 45.8451 -24.4741 TIMING: 1257200 CPU: 3972.92, 0.00318298/step Wall: 3972.92, 0.00318298/step, 3.30924 hours remaining, 233.187500 MB of memory in use. ENERGY: 1257200 3981.9326 20631.7353 14471.2409 251.2998 -203325.7250 2791.6110 0.0000 0.0000 52177.4194 -109020.4859 299.8643 -161197.9054 -108659.1093 299.9882 -131.0882 -100.9070 761413.8140 7.4768 7.3590 PRESSURE: 1257400 -51.7214 6.83862 -66.4891 6.83868 -165.335 -80.2009 -66.4902 -80.201 104.729 GPRESSURE: 1257400 -42.7981 141.52 -63.0877 -74.4331 -147.906 -163.525 -14.8224 -8.50945 141.263 PRESSAVG: 1257400 -12.7468 15.1048 -9.599 15.1048 -27.4275 -30.2663 -9.5991 -30.2663 9.35253 GPRESSAVG: 1257400 -13.1868 14.7709 -7.56958 13.8498 -28.2346 -30.271 -10.1459 -30.1744 10.0128 TIMING: 1257400 CPU: 3973.56, 0.00318832/step Wall: 3973.56, 0.00318832/step, 3.31462 hours remaining, 233.187500 MB of memory in use. ENERGY: 1257400 3945.3693 20564.2422 14463.2113 247.6332 -203088.9558 2465.7368 0.0000 0.0000 52494.8684 -108907.8945 301.6887 -161402.7630 -108528.2428 299.9835 -37.4422 -16.4803 762039.7141 -10.2739 -10.4696 PRESSURE: 1257600 102.804 -54.9302 63.7537 -54.9308 -61.2355 -33.6124 63.7532 -33.6122 18.2284 GPRESSURE: 1257600 123.747 29.7044 4.43447 143.114 11.5315 -81.8678 93.3054 -56.1447 -1.83871 PRESSAVG: 1257600 43.7693 64.552 26.6106 64.5519 -22.3862 -10.1887 26.6106 -10.1887 9.85364 GPRESSAVG: 1257600 43.1782 63.3098 23.948 66.1831 -21.9449 -10.9974 28.3163 -9.87965 10.0974 TIMING: 1257600 CPU: 3974.19, 0.00315498/step Wall: 3974.19, 0.00315498/step, 3.27977 hours remaining, 233.187500 MB of memory in use. ENERGY: 1257600 3946.8277 20677.4951 14499.6069 246.4572 -203296.5142 2703.1956 0.0000 0.0000 52188.6015 -109034.3301 299.9286 -161222.9317 -108678.5923 299.7632 19.9323 44.4799 761523.1569 10.4122 10.4436 PRESSURE: 1257800 3.64016 7.65035 86.5956 7.6513 46.6099 -233.76 86.5955 -233.758 -154.538 GPRESSURE: 1257800 -17.7565 8.14193 64.9785 -33.7796 49.3944 -233.366 154.363 -187.722 -56.4776 PRESSAVG: 1257800 44.3499 61.4662 -13.9153 61.4662 -19.1695 1.5728 -13.9154 1.57283 14.3616 GPRESSAVG: 1257800 44.8774 64.9179 -13.0319 60.6583 -19.4536 1.86211 -13.7242 1.80788 14.1156 TIMING: 1257800 CPU: 3974.82, 0.003161/step Wall: 3974.82, 0.003161/step, 3.28586 hours remaining, 233.187500 MB of memory in use. ENERGY: 1257800 4050.4527 20464.6467 14538.2746 252.0507 -203003.0377 2701.1296 0.0000 0.0000 51919.5413 -109076.9421 298.3823 -160996.4834 -108721.6374 299.2628 -34.7628 -8.2799 763104.3907 13.1807 13.1798 PRESSURE: 1258000 57.7031 -70.4336 200.005 -70.4344 1.45577 -52.1854 200.005 -52.1867 131.125 GPRESSURE: 1258000 -35.0143 -77.1113 178.965 79.1276 166.717 -69.2445 221.999 -111.605 136.287 PRESSAVG: 1258000 29.3502 9.37806 -53.9236 9.37804 -4.64088 -58.9876 -53.9236 -58.9876 11.8164 GPRESSAVG: 1258000 29.5554 7.1562 -55.2998 8.53583 -4.79527 -60.7389 -52.5016 -58.0154 11.5886 TIMING: 1258000 CPU: 3975.46, 0.003191/step Wall: 3975.46, 0.003191/step, 3.31687 hours remaining, 233.187500 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: 1258000 3930.1717 20503.7797 14559.5441 244.5797 -203133.3795 2618.9393 0.0000 0.0000 52153.0192 -109123.3459 299.7241 -161276.3651 -108757.0009 299.2751 63.4279 89.3298 762138.2479 12.1752 12.1163 PRESSURE: 1258200 -442.504 152.582 90.3533 152.582 -409.236 -96.8794 90.3533 -96.8806 -429.438 GPRESSURE: 1258200 -421.193 141.016 57.6985 64.3088 -326.891 -100.453 44.2374 9.95182 -448.941 PRESSAVG: 1258200 16.8251 -15.3364 -26.8154 -15.3363 -34.312 -12.4798 -26.8154 -12.4798 -11.3681 GPRESSAVG: 1258200 17.0559 -14.8868 -25.8184 -14.5147 -34.1129 -12.0856 -28.4611 -13.0427 -12.1816 TIMING: 1258200 CPU: 3976.1, 0.00318071/step Wall: 3976.1, 0.00318071/step, 3.306 hours remaining, 233.187500 MB of memory in use. ENERGY: 1258200 3981.8822 20572.1867 14546.0724 256.3819 -203296.8121 2541.9065 0.0000 0.0000 52041.0182 -109357.3641 299.0804 -161398.3824 -108993.8665 299.1549 -427.0593 -399.0086 763504.1333 -9.6183 -9.7462 PRESSURE: 1258400 312.115 98.2437 69.3437 98.2436 151.91 51.1598 69.3434 51.1602 79.7022 GPRESSURE: 1258400 360.349 101.845 41.2317 0.751667 209.475 93.3199 37.2312 50.0891 67.9097 PRESSAVG: 1258400 61.3175 23.4852 -49.9223 23.4852 5.17421 -41.351 -49.9223 -41.351 11.0304 GPRESSAVG: 1258400 62.1242 23.9231 -48.0938 25.0575 4.6462 -41.628 -50.7766 -43.0254 10.5047 TIMING: 1258400 CPU: 3976.73, 0.00316626/step Wall: 3976.73, 0.00316626/step, 3.2908 hours remaining, 233.187500 MB of memory in use. ENERGY: 1258400 4018.6843 20522.4593 14495.7808 258.8861 -203452.0047 3064.7911 0.0000 0.0000 51822.6376 -109268.7655 297.8254 -161091.4031 -108915.2431 299.0754 181.2423 212.5781 762306.9038 25.8407 25.7584 PRESSURE: 1258600 312.361 129.917 -169.647 129.917 129.907 24.204 -169.648 24.204 78.3365 GPRESSURE: 1258600 315.331 121.592 -148.136 186.757 190.039 55.485 -20.4638 -1.82187 100.085 PRESSAVG: 1258600 31.0972 21.1182 0.535834 21.1182 -23.7771 14.0389 0.535833 14.039 -3.51014 GPRESSAVG: 1258600 29.0546 19.9585 -0.284717 20.5575 -23.0435 15.3934 3.04235 16.0393 -2.04546 TIMING: 1258600 CPU: 3977.36, 0.00315352/step Wall: 3977.36, 0.00315352/step, 3.27739 hours remaining, 233.187500 MB of memory in use. ENERGY: 1258600 4065.3713 20486.5344 14481.7519 236.1654 -203460.5624 2962.4713 0.0000 0.0000 52092.4889 -109135.7792 299.3762 -161228.2681 -108777.6042 298.9256 173.5349 201.8185 763417.9946 1.2700 1.3219 PRESSURE: 1258800 44.0884 24.6567 326.967 24.6567 174.218 -90.748 326.968 -90.7467 -316.076 GPRESSURE: 1258800 -2.52524 -21.535 355.189 89.9473 289.101 -180.709 223.077 -28.7806 -312.284 PRESSAVG: 1258800 7.16441 -13.7994 -15.1265 -13.7995 27.6528 -4.85554 -15.1265 -4.85547 3.28902 GPRESSAVG: 1258800 7.78038 -13.2203 -15.3044 -16.4224 28.604 -5.85503 -14.834 -5.95381 1.65013 TIMING: 1258800 CPU: 3978, 0.00316783/step Wall: 3978, 0.00316783/step, 3.29208 hours remaining, 233.187500 MB of memory in use. ENERGY: 1258800 4022.8675 20428.5133 14563.4467 235.1547 -202843.0752 2429.5395 0.0000 0.0000 52055.5502 -109108.0031 299.1640 -161163.5534 -108750.2305 299.2179 -32.5898 -8.5693 763179.2479 12.7021 12.6782 PRESSURE: 1259000 -306.19 -88.2173 -37.6115 -88.2165 -61.8165 -23.9308 -37.6107 -23.9315 -310.87 GPRESSURE: 1259000 -258.98 -24.9207 -72.4028 -34.643 14.0298 -35.4029 -166.161 -52.9122 -328.546 PRESSAVG: 1259000 -2.91635 -42.1657 -23.9063 -42.1657 29.5297 7.90833 -23.9063 7.90831 -7.14459 GPRESSAVG: 1259000 -1.98604 -40.7498 -24.7583 -39.6734 27.949 8.89924 -24.4575 7.76183 -5.95771 TIMING: 1259000 CPU: 3978.64, 0.00321307/step Wall: 3978.64, 0.00321307/step, 3.33891 hours remaining, 233.187500 MB of memory in use. ENERGY: 1259000 4031.2738 20504.0245 14461.7655 242.1628 -202996.9385 2602.8498 0.0000 0.0000 52183.6883 -108971.1739 299.9004 -161154.8622 -108613.8252 299.5301 -226.2921 -191.1653 762412.6891 6.4896 6.6684 PRESSURE: 1259200 -101.717 -148.016 -22.7918 -148.016 -33.8708 -68.2106 -22.7914 -68.2114 202.356 GPRESSURE: 1259200 -77.5286 -71.4279 -0.763132 -132.282 -9.77798 -35.8593 57.4856 -190.91 241.388 PRESSAVG: 1259200 -2.99646 -5.5875 0.363098 -5.58751 15.0686 -29.3688 0.363129 -29.3689 -4.00636 GPRESSAVG: 1259200 -1.97593 -5.57535 0.211068 -5.43233 14.4675 -30.1177 0.29636 -30.5662 -4.37435 TIMING: 1259200 CPU: 3979.27, 0.00317317/step Wall: 3979.27, 0.00317317/step, 3.29728 hours remaining, 233.187500 MB of memory in use. ENERGY: 1259200 3904.8444 20518.7431 14546.8041 238.5449 -202728.2335 2552.3939 0.0000 0.0000 51972.8437 -108994.0594 298.6886 -160966.9031 -108631.2737 299.3371 22.2561 51.3605 763407.2879 2.6886 2.7057 PRESSURE: 1259400 -26.7002 180.193 -210.762 180.194 271.64 19.3194 -210.763 19.3184 -429.855 GPRESSURE: 1259400 63.9206 85.5344 -163.557 109.253 206.824 23.4712 -229.994 -15.646 -377.227 PRESSAVG: 1259400 -11.8142 12.4476 -0.118408 12.4476 32.9698 9.77559 -0.118417 9.77551 5.7053 GPRESSAVG: 1259400 -13.2048 10.7371 1.73176 12.9515 33.7253 8.73684 -0.352653 10.9341 6.36207 TIMING: 1259400 CPU: 3979.91, 0.00317567/step Wall: 3979.91, 0.00317567/step, 3.2997 hours remaining, 233.187500 MB of memory in use. ENERGY: 1259400 3924.0378 20620.0030 14513.6136 237.7096 -202929.9772 2491.6504 0.0000 0.0000 52024.1166 -109118.8461 298.9833 -161142.9628 -108760.7350 299.6235 -61.6384 -35.4941 762845.2816 8.9536 8.9609 PRESSURE: 1259600 -57.1443 42.545 61.5448 42.5448 181.827 39.205 61.5437 39.2052 104.472 GPRESSURE: 1259600 -88.4449 29.6089 69.1801 119.439 233.087 110.36 130.735 66.9137 177.395 PRESSAVG: 1259600 36.3793 6.35833 -38.4706 6.35834 -36.4058 -4.66839 -38.4706 -4.6684 -4.61401 GPRESSAVG: 1259600 37.4151 4.68403 -39.527 6.19773 -36.0622 -3.81496 -36.7528 -3.39049 -6.12027 TIMING: 1259600 CPU: 3980.54, 0.00317828/step Wall: 3980.54, 0.00317828/step, 3.30223 hours remaining, 233.187500 MB of memory in use. ENERGY: 1259600 3984.3173 20401.0256 14508.4245 241.8123 -202911.5272 2399.3823 0.0000 0.0000 52211.2464 -109165.3186 300.0588 -161376.5650 -108798.5588 299.0543 76.3847 107.3456 762958.4125 -1.5468 -1.5891 PRESSURE: 1259800 -41.9078 6.47959 152.923 6.47969 -251.923 137.917 152.923 137.917 257.698 GPRESSURE: 1259800 -18.0773 -0.455669 138.174 32.7287 -220.275 46.8468 96.9993 60.5509 262.284 PRESSAVG: 1259800 -69.0873 -5.79116 -23.1425 -5.79112 11.6235 19.0384 -23.1425 19.0384 7.25964 GPRESSAVG: 1259800 -69.2655 -4.76184 -22.923 -8.13256 10.5727 19.5254 -25.6425 17.1814 8.3887 TIMING: 1259800 CPU: 3981.18, 0.00318086/step Wall: 3981.18, 0.00318086/step, 3.30473 hours remaining, 233.187500 MB of memory in use. ENERGY: 1259800 3886.6087 20547.0107 14454.4596 245.8238 -202920.1819 2578.4774 0.0000 0.0000 51913.3552 -109294.4465 298.3468 -161207.8017 -108931.4087 298.8808 -12.0442 7.9772 763432.4936 -16.7347 -16.7680 PRESSURE: 1260000 -49.5766 -40.2413 -98.1291 -40.2408 195.733 27.3832 -98.1286 27.3833 -104.553 GPRESSURE: 1260000 -28.159 -131.256 -45.0026 66.4738 212.239 90.5293 -115.329 130.976 -55.958 PRESSAVG: 1260000 1.7588 26.6741 -15.2781 26.6742 -19.4754 -40.5584 -15.2782 -40.5584 5.22021 GPRESSAVG: 1260000 1.05834 28.4727 -16.5564 26.7136 -19.8585 -40.9944 -15.0077 -40.4173 6.06491 TIMING: 1260000 CPU: 3981.82, 0.00317604/step Wall: 3981.82, 0.00317604/step, 3.29955 hours remaining, 233.187500 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: 1260000 3884.7951 20667.1014 14462.4637 271.4442 -202947.3494 2649.4402 0.0000 0.0000 51831.7378 -109180.3669 297.8777 -161012.1047 -108819.9038 299.0594 13.8676 42.7075 762404.8802 -4.1655 -4.2451 PRESSURE: 1260200 150.497 44.0647 229.456 44.064 -185.795 -260.527 229.456 -260.527 -215.964 GPRESSURE: 1260200 187.228 76.9499 213.733 25.5193 -108.16 -274.652 165.749 -258.826 -246.444 PRESSAVG: 1260200 -6.13488 -50.2061 -14.9949 -50.2061 27.5088 9.53686 -14.995 9.53684 -1.86193 GPRESSAVG: 1260200 -5.65262 -53.5383 -16.934 -47.9074 28.6741 8.77407 -13.7914 11.0285 -3.21206 TIMING: 1260200 CPU: 3982.45, 0.00315411/step Wall: 3982.45, 0.00315411/step, 3.2766 hours remaining, 233.187500 MB of memory in use. ENERGY: 1260200 3995.5377 20424.7656 14510.3411 264.0028 -203720.8478 2907.0582 0.0000 0.0000 52250.9780 -109368.1644 300.2871 -161619.1424 -108993.1703 299.2543 -83.7539 -55.7920 761496.4683 6.5040 6.6031 LDB: ============= START OF LOAD BALANCING ============== 3994.98 LDB: ============== END OF LOAD BALANCING =============== 3994.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3994.98 LDB: ============= START OF LOAD BALANCING ============== 3995.3 LDB: Largest compute 7060 load 0.032376 is 16.6% of average load 0.195387 LDB: Average compute 0.004390 is 2.2% of average load 0.195387 LDB: TIME 3995.31 LOAD: AVG 0.195387 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.652 MB LDB: TIME 3995.31 LOAD: AVG 0.195387 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.652 MB LDB: TIME 3995.31 LOAD: AVG 0.195387 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.652 MB LDB: ============== END OF LOAD BALANCING =============== 3995.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3995.31 PRESSURE: 1260400 -82.8825 -20.767 -274.464 -20.7666 130.492 201.241 -274.465 201.241 71.4977 GPRESSURE: 1260400 -82.99 40.0733 -243.166 -38.8289 191.651 195.296 -124.205 187.262 95.3164 PRESSAVG: 1260400 -78.3853 17.5627 5.01842 17.5627 27.5851 2.04124 5.0184 2.04119 -5.20275 GPRESSAVG: 1260400 -77.9865 19.1461 6.49244 16.0097 26.6886 3.6447 6.79559 -0.196614 -5.05308 TIMING: 1260400 CPU: 3983.1, 0.00324719/step Wall: 3983.1, 0.00324719/step, 3.37311 hours remaining, 233.957031 MB of memory in use. ENERGY: 1260400 3965.1288 20526.8574 14526.8854 250.7401 -203244.7136 2763.8988 0.0000 0.0000 52066.4034 -109144.7997 299.2263 -161211.2032 -108782.8456 299.3592 39.7024 67.9924 762851.9999 -18.6677 -18.7837 PRESSURE: 1260600 319.073 -148.533 -20.0112 -148.533 202.358 107.647 -20.0111 107.646 175.982 GPRESSURE: 1260600 249.966 -78.3066 -1.98647 -202.873 340.628 228.97 -53.7162 158.85 211.297 PRESSAVG: 1260600 -32.3797 -52.089 7.20672 -52.089 67.6664 11.4882 7.20679 11.4882 -15.4136 GPRESSAVG: 1260600 -32.2048 -52.1553 9.67132 -51.8449 67.505 12.7417 4.47785 12.8461 -15.1228 TIMING: 1260600 CPU: 3983.73, 0.00318171/step Wall: 3983.73, 0.00318171/step, 3.30492 hours remaining, 233.957031 MB of memory in use. ENERGY: 1260600 3982.4346 20599.8976 14496.3720 241.2254 -203040.6111 2673.6870 0.0000 0.0000 52109.7055 -108937.2891 299.4752 -161046.9946 -108575.2334 299.8298 232.4707 267.2973 762628.0090 6.6244 6.7258 PRESSURE: 1260800 -161.76 95.3299 134.735 95.33 136.407 45.3003 134.735 45.301 93.4636 GPRESSURE: 1260800 -6.80841 79.5014 57.533 99.6889 78.2276 44.8742 243.183 40.1789 81.9895 PRESSAVG: 1260800 -7.20549 -66.5805 -9.46503 -66.5805 19.291 11.6546 -9.465 11.6545 9.71648 GPRESSAVG: 1260800 -7.50261 -65.7562 -11.0173 -65.9282 19.4832 9.19218 -8.36291 12.5435 10.0112 TIMING: 1260800 CPU: 3984.37, 0.00317326/step Wall: 3984.37, 0.00317326/step, 3.29596 hours remaining, 233.957031 MB of memory in use. ENERGY: 1260800 3960.4727 20501.3825 14580.4802 259.2449 -203371.2709 2900.0465 0.0000 0.0000 52073.1160 -109096.5281 299.2649 -161169.6441 -108726.7687 299.8801 22.7037 51.1362 760722.9144 7.2673 7.3306 PRESSURE: 1261000 -200.041 -24.5651 120.782 -24.5645 -396.862 48.591 120.782 48.5919 -313.772 GPRESSURE: 1261000 -154.233 -36.4505 132.245 -50.0278 -405.609 41.5965 192.126 135.482 -285.943 PRESSAVG: 1261000 27.4784 -6.70837 27.8123 -6.70842 0.57194 15.6411 27.8124 15.6411 -25.7351 GPRESSAVG: 1261000 30.2185 -6.34013 28.2734 -6.60068 -1.82272 16.9433 28.0817 13.7413 -26.0843 TIMING: 1261000 CPU: 3985, 0.00317481/step Wall: 3985, 0.00317481/step, 3.29739 hours remaining, 233.957031 MB of memory in use. ENERGY: 1261000 4004.6999 20561.1462 14513.9055 248.6645 -203110.8452 2394.8907 0.0000 0.0000 52084.6862 -109302.8521 299.3314 -161387.5384 -108936.6303 299.1002 -303.5583 -281.9284 761298.2112 0.7718 0.7705 PRESSURE: 1261200 -134.283 26.6966 104.597 26.6971 -223.489 -102.867 104.597 -102.867 94.4974 GPRESSURE: 1261200 -164.931 -37.1603 89.3246 -23.8703 -146.238 -102.354 60.1242 -62.0362 126.798 PRESSAVG: 1261200 -8.96413 -52.9518 11.7528 -52.9518 -2.76329 -19.4523 11.7528 -19.4523 -8.87688 GPRESSAVG: 1261200 -10.45 -52.6904 10.4512 -56.0836 -1.4667 -22.2045 12.6911 -16.4753 -8.58207 TIMING: 1261200 CPU: 3985.64, 0.00319329/step Wall: 3985.64, 0.00319329/step, 3.31641 hours remaining, 233.957031 MB of memory in use. ENERGY: 1261200 3997.4179 20525.7961 14565.5088 252.7274 -203122.5522 2466.3483 0.0000 0.0000 52198.2350 -109116.5188 299.9840 -161314.7538 -108758.6543 298.8203 -87.7582 -61.4571 762286.9788 -6.8681 -6.8329 PRESSURE: 1261400 135.84 104.539 67.5466 104.539 -111.773 -182.269 67.5465 -182.269 123.704 GPRESSURE: 1261400 134.744 51.7181 58.019 12.4743 -71.9909 -156.432 164.647 -170.549 162.206 PRESSAVG: 1261400 -10.5884 -20.7983 1.7735 -20.7983 36.5341 -53.8481 1.77347 -53.8481 -6.48811 GPRESSAVG: 1261400 -10.8626 -20.5327 2.39699 -22.3722 36.4195 -51.8065 -0.683783 -55.1211 -6.13052 TIMING: 1261400 CPU: 3986.28, 0.00318244/step Wall: 3986.28, 0.00318244/step, 3.30497 hours remaining, 233.957031 MB of memory in use. ENERGY: 1261400 4037.5230 20479.8577 14528.8597 239.7685 -203438.4988 2666.0878 0.0000 0.0000 52083.3042 -109403.0980 299.3235 -161486.4022 -109038.8320 298.9769 49.2569 74.9862 761532.6025 6.4859 6.4755 PRESSURE: 1261600 -260.307 -140.284 -239.674 -140.285 27.3473 -118.675 -239.674 -118.676 -42.1438 GPRESSURE: 1261600 -215.931 -126.47 -259.688 -101.573 26.8382 -54.1146 -160.946 -75.7006 -3.95677 PRESSAVG: 1261600 1.41008 36.6558 -5.81032 36.6558 10.0931 3.53145 -5.81028 3.53147 -12.8519 GPRESSAVG: 1261600 1.39366 36.2276 -5.97628 39.8365 10.8259 4.2309 -4.98072 5.93243 -12.9561 TIMING: 1261600 CPU: 3986.92, 0.00320133/step Wall: 3986.92, 0.00320133/step, 3.3244 hours remaining, 233.957031 MB of memory in use. ENERGY: 1261600 3991.4803 20534.1861 14465.4921 238.1420 -203350.9253 2742.5009 0.0000 0.0000 51757.3324 -109621.7917 297.4501 -161379.1241 -109267.6181 298.8621 -91.7011 -64.3498 762047.2075 -0.4496 -0.2455 PRESSURE: 1261800 106.136 -123.644 221.323 -123.644 -331.676 -41.4103 221.324 -41.4102 -435.22 GPRESSURE: 1261800 85.2517 -146.004 269.653 -98.6387 -290.523 -34.863 211.198 28.7321 -372.435 PRESSAVG: 1261800 23.142 -42.5352 36.1966 -42.5352 -34.4567 35.2321 36.1966 35.2321 13.3501 GPRESSAVG: 1261800 23.618 -42.2297 37.7532 -42.8526 -33.8494 36.5739 35.732 31.0343 12.5463 TIMING: 1261800 CPU: 3987.55, 0.00318019/step Wall: 3987.55, 0.00318019/step, 3.30227 hours remaining, 233.957031 MB of memory in use. ENERGY: 1261800 4037.3280 20603.9155 14573.8671 240.1230 -203166.1050 2379.0128 0.0000 0.0000 51852.0493 -109479.8092 297.9944 -161331.8585 -109120.6918 299.2536 -220.2535 -192.5688 763377.0632 0.6785 0.7717 PRESSURE: 1262000 74.0067 20.9784 -97.2648 20.9784 105.382 46.0437 -97.2646 46.0453 -133.805 GPRESSURE: 1262000 31.5037 -33.2592 -189.909 77.6614 189.815 2.77517 -22.0233 58.1045 -83.9923 PRESSAVG: 1262000 10.5418 52.4874 46.0155 52.4874 -3.89038 -3.98288 46.0155 -3.98293 -3.81328 GPRESSAVG: 1262000 10.8298 50.4932 45.5411 54.1071 -4.09418 -4.75087 46.5617 -1.9844 -4.30344 TIMING: 1262000 CPU: 3988.2, 0.00321318/step Wall: 3988.2, 0.00321318/step, 3.33635 hours remaining, 233.957031 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: 1262000 3990.5825 20697.2326 14428.8215 230.2456 -203817.6285 2631.3225 0.0000 0.0000 52230.9097 -109608.5140 300.1718 -161839.4238 -109245.3007 298.7215 15.1946 45.7754 761563.2798 0.9461 0.8107 PRESSURE: 1262200 327.935 -109.674 60.9044 -109.673 -254.194 -42.8841 60.9041 -42.8839 236.321 GPRESSURE: 1262200 388.718 -171.586 -9.8438 -177.802 -222.786 -30.1766 -43.8832 -80.3724 220.949 PRESSAVG: 1262200 27.6688 48.5594 20.6165 48.5593 10.11 -36.1555 20.6165 -36.1554 -4.74487 GPRESSAVG: 1262200 28.1637 50.8978 19.268 46.9887 9.30308 -36.5957 20.7487 -36.3124 -5.0383 TIMING: 1262200 CPU: 3988.84, 0.0031982/step Wall: 3988.84, 0.0031982/step, 3.32062 hours remaining, 233.957031 MB of memory in use. ENERGY: 1262200 3933.4684 20611.8252 14452.9329 248.3465 -203443.9080 2588.3180 0.0000 0.0000 51951.9502 -109657.0668 298.5686 -161609.0170 -109288.8709 298.5954 103.3538 128.9601 764325.2296 11.0113 10.8095 PRESSURE: 1262400 -42.3833 -25.73 66.9092 -25.73 36.5079 125.911 66.909 125.912 -144.692 GPRESSURE: 1262400 -34.9998 -80.3853 17.5621 42.625 86.6156 181.465 114.505 28.1105 -110.176 PRESSAVG: 1262400 26.6728 39.8947 -3.29148 39.8947 -36.991 -46.4562 -3.2915 -46.4562 7.1465 GPRESSAVG: 1262400 25.2279 39.8152 -1.39147 39.4774 -36.0697 -47.7941 -3.97438 -45.4307 7.51344 TIMING: 1262400 CPU: 3989.48, 0.00320376/step Wall: 3989.48, 0.00320376/step, 3.32622 hours remaining, 233.957031 MB of memory in use. ENERGY: 1262400 3954.6575 20663.5270 14555.3109 263.2357 -203860.7055 2916.9692 0.0000 0.0000 52037.3298 -109469.6753 299.0592 -161507.0051 -109112.0417 298.7036 -50.1892 -19.5201 763578.9310 -1.0572 -1.1094 PRESSURE: 1262600 12.5524 -227.218 163.361 -227.218 -288.784 91.4379 163.363 91.4386 52.2984 GPRESSURE: 1262600 -30.68 -252.717 236.081 -248.877 -143.564 103.095 -27.9139 160.14 38.625 PRESSAVG: 1262600 -8.63668 28.8555 28.8101 28.8554 21.1979 -20.2896 28.8101 -20.2896 -3.10226 GPRESSAVG: 1262600 -8.25471 27.3479 27.9621 31.3581 21.5683 -18.6623 27.9237 -20.8942 -4.36687 TIMING: 1262600 CPU: 3990.12, 0.00320113/step Wall: 3990.12, 0.00320113/step, 3.32331 hours remaining, 233.957031 MB of memory in use. ENERGY: 1262600 4090.2948 20482.5406 14514.8678 263.2343 -203506.1589 2600.0846 0.0000 0.0000 52268.3517 -109286.7851 300.3869 -161555.1368 -108915.6739 299.3939 -74.6443 -45.2063 763073.5653 3.1530 2.9822 PRESSURE: 1262800 113.958 105.823 59.8605 105.823 -99.2581 167.534 59.8608 167.533 -126.612 GPRESSURE: 1262800 178.947 63.7485 15.7166 72.3637 -66.6511 135.492 -43.1763 62.9382 -161.078 PRESSAVG: 1262800 -13.1238 -45.4747 34.0203 -45.4747 -17.5061 -44.3541 34.0203 -44.3541 20.7528 GPRESSAVG: 1262800 -11.9396 -45.9716 32.6864 -46.2109 -18.293 -44.1418 35.1472 -44.4387 20.3348 TIMING: 1262800 CPU: 3990.76, 0.003197/step Wall: 3990.76, 0.003197/step, 3.31884 hours remaining, 233.957031 MB of memory in use. ENERGY: 1262800 4025.0017 20621.7395 14523.5041 265.0655 -203158.0563 2362.1034 0.0000 0.0000 51991.0001 -109369.6419 298.7930 -161360.6420 -109020.1477 299.4523 -37.3039 -16.2609 762501.2218 -3.2924 -3.2992 PRESSURE: 1263000 -130.826 2.9944 182.616 2.99391 191.331 -251.712 182.616 -251.712 65.1067 GPRESSURE: 1263000 -77.5454 52.3255 123.476 -111.011 172.547 -314.184 284.026 -168.895 117.632 PRESSAVG: 1263000 26.7085 2.01156 22.1416 2.01163 6.65017 -82.5741 22.1415 -82.5741 -2.28304 GPRESSAVG: 1263000 26.475 4.22037 25.1392 -1.78954 5.51041 -83.5063 20.4571 -82.9151 -1.28574 TIMING: 1263000 CPU: 3991.4, 0.00320285/step Wall: 3991.4, 0.00320285/step, 3.32474 hours remaining, 233.957031 MB of memory in use. ENERGY: 1263000 3997.7258 20671.4346 14545.3726 257.8847 -203478.1960 2584.2564 0.0000 0.0000 51915.3679 -109506.1540 298.3583 -161421.5219 -109154.3977 299.3085 41.8703 70.8779 761417.6625 10.3585 10.2332 PRESSURE: 1263200 -72.8399 311.36 -300.199 311.36 -69.7803 -14.2463 -300.2 -14.2456 -289.97 GPRESSURE: 1263200 -11.4504 209.169 -260.788 248.797 -26.7409 35.188 -182.107 -36.7851 -304.899 PRESSAVG: 1263200 -23.9175 22.6202 57.7066 22.6202 9.4447 -50.8478 57.7066 -50.8478 -2.33657 GPRESSAVG: 1263200 -23.6584 20.0287 56.7175 25.8553 9.94555 -50.0613 57.8294 -48.783 -2.67382 TIMING: 1263200 CPU: 3992.04, 0.00321605/step Wall: 3992.04, 0.00321605/step, 3.33826 hours remaining, 233.957031 MB of memory in use. ENERGY: 1263200 3972.2396 20598.3129 14541.4439 253.4987 -203144.7888 2696.6687 0.0000 0.0000 51888.8781 -109193.7469 298.2061 -161082.6250 -108835.0562 298.8594 -144.1968 -114.3635 764368.8597 -5.6031 -5.4622 PRESSURE: 1263400 407.159 -42.4 148.75 -42.4007 -107.715 170.925 148.751 170.925 -379.68 GPRESSURE: 1263400 407.164 -69.4855 129.049 -24.117 -57.5358 191.511 220.969 110.948 -342.916 PRESSAVG: 1263400 -15.5269 17.7881 11.7199 17.7881 35.7834 -26.07 11.7199 -26.0701 -21.0649 GPRESSAVG: 1263400 -15.5569 19.3246 12.3965 17.1528 35.3051 -25.1383 13.7913 -29.0384 -20.6152 TIMING: 1263400 CPU: 3992.68, 0.00318827/step Wall: 3992.68, 0.00318827/step, 3.30925 hours remaining, 233.957031 MB of memory in use. ENERGY: 1263400 4043.5679 20582.7923 14458.3570 252.6606 -203320.8786 2756.7669 0.0000 0.0000 51783.5036 -109443.2303 297.6005 -161226.7339 -109079.6481 299.2882 -26.7455 2.2374 762501.3635 -0.2695 -0.2890 PRESSURE: 1263600 178.038 22.3154 141.312 22.3148 417.307 53.7713 141.311 53.7717 238.973 GPRESSURE: 1263600 139.853 84.2136 36.1017 16.7907 461.071 -47.0679 99.9802 -10.6789 309.674 PRESSAVG: 1263600 -13.6676 12.0171 62.05 12.0171 -6.74732 32.1788 62.0499 32.1789 13.8604 GPRESSAVG: 1263600 -14.1568 13.1722 61.1172 12.1697 -6.39578 31.3309 62.1719 32.965 14.0666 TIMING: 1263600 CPU: 3993.31, 0.00317202/step Wall: 3993.31, 0.00317202/step, 3.2922 hours remaining, 233.957031 MB of memory in use. ENERGY: 1263600 4003.0862 20685.7280 14457.3410 239.6217 -203343.5081 2700.6032 0.0000 0.0000 51627.0086 -109630.1195 296.7011 -161257.1281 -109275.3812 298.4486 278.1058 303.5326 761057.1446 -2.1848 -2.1620 PRESSURE: 1263800 80.7024 -342.584 172.204 -342.585 343.849 175.532 172.204 175.532 185.765 GPRESSURE: 1263800 104.226 -335.912 108.676 -246.23 414.692 180.338 107.251 68.6908 150.879 PRESSAVG: 1263800 -56.3877 13.7764 53.0168 13.7763 17.8261 16.4018 53.017 16.4017 3.69162 GPRESSAVG: 1263800 -55.6369 11.8452 50.9895 13.3967 17.1898 18.3436 52.8182 15.7104 3.13439 TIMING: 1263800 CPU: 3993.95, 0.00316974/step Wall: 3993.95, 0.00316974/step, 3.28966 hours remaining, 233.957031 MB of memory in use. ENERGY: 1263800 3956.8614 20684.2893 14459.5322 242.8668 -203897.9136 2795.4720 0.0000 0.0000 52159.3745 -109599.5174 299.7606 -161758.8919 -109238.0871 298.8772 203.4386 223.2655 761028.9927 -11.6233 -11.7709 PRESSURE: 1264000 -53.9078 233.509 -96.0729 233.509 -62.8829 82.236 -96.0728 82.2363 39.0086 GPRESSURE: 1264000 -81.8066 172.466 4.61222 191.008 -26.2717 75.6159 -14.2852 55.3616 125.379 PRESSAVG: 1264000 11.0719 4.54831 27.4782 4.54838 -10.2098 4.03899 27.4781 4.039 17.3956 GPRESSAVG: 1264000 10.9816 5.86933 28.7976 4.17487 -10.4899 2.78617 28.4221 5.41249 17.5008 TIMING: 1264000 CPU: 3994.58, 0.00315832/step Wall: 3994.58, 0.00315832/step, 3.27764 hours remaining, 233.957031 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: 1264000 3999.1234 20513.4256 14478.0837 264.9220 -203614.5270 2699.3876 0.0000 0.0000 52007.1008 -109652.4839 298.8855 -161659.5847 -109299.3270 298.5418 -25.9274 5.7669 760196.8093 6.0859 5.9975 PRESSURE: 1264200 -47.361 -155.169 -111.912 -155.169 129.424 118.655 -111.913 118.654 -420.509 GPRESSURE: 1264200 9.57184 -46.757 -163.615 -83.8572 84.7365 88.2101 -161.884 38.9426 -363.995 PRESSAVG: 1264200 12.9399 -25.976 -48.5194 -25.976 -7.59574 -20.4492 -48.5195 -20.4492 0.271401 GPRESSAVG: 1264200 13.1521 -25.2242 -49.4321 -25.4693 -8.24661 -19.8231 -48.483 -23.1989 -0.193291 TIMING: 1264200 CPU: 3995.22, 0.00320322/step Wall: 3995.22, 0.00320322/step, 3.32405 hours remaining, 233.957031 MB of memory in use. ENERGY: 1264200 4023.9148 20667.5343 14546.0336 241.2777 -203435.6794 2517.0978 0.0000 0.0000 51779.0634 -109660.7579 297.5750 -161439.8213 -109300.7760 299.0056 -112.8154 -89.8954 760463.9138 1.8719 1.5707 LDB: ============= START OF LOAD BALANCING ============== 4007.75 LDB: ============== END OF LOAD BALANCING =============== 4007.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4007.76 LDB: ============= START OF LOAD BALANCING ============== 4008.07 LDB: Largest compute 7060 load 0.029740 is 15.2% of average load 0.195444 LDB: Average compute 0.004418 is 2.3% of average load 0.195444 LDB: TIME 4008.08 LOAD: AVG 0.195444 MAX 0.212775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.277 MB LDB: TIME 4008.08 LOAD: AVG 0.195444 MAX 0.212775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: TIME 4008.08 LOAD: AVG 0.195444 MAX 0.212775 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.277 MB LDB: ============== END OF LOAD BALANCING =============== 4008.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 4008.09 Info: useSync: 0 useProxySync: 0 PRESSURE: 1264400 -533.138 -101.218 269.731 -101.219 -387.532 34.1256 269.731 34.1252 -457.35 GPRESSURE: 1264400 -502.351 -184.711 276.192 -4.57118 -273.285 58.9717 152.122 -81.5137 -508.344 PRESSAVG: 1264400 -37.1582 -48.9912 14.9692 -48.9912 35.2381 25.104 14.9692 25.104 -7.85721 GPRESSAVG: 1264400 -38.6643 -51.7302 15.2911 -49.0365 36.6469 25.1409 14.2989 26.3843 -7.8739 TIMING: 1264400 CPU: 3995.87, 0.00325853/step Wall: 3995.87, 0.00325853/step, 3.38127 hours remaining, 233.824219 MB of memory in use. ENERGY: 1264400 4026.4715 20671.5836 14543.4507 246.5796 -203295.4369 2199.9540 0.0000 0.0000 51849.7824 -109757.6151 297.9814 -161607.3975 -109399.9005 298.5950 -459.3403 -427.9937 760135.3921 -3.2591 -3.2971 PRESSURE: 1264600 -512.845 29.3739 34.2753 29.3731 -237.254 -99.3416 34.2751 -99.3423 132.827 GPRESSURE: 1264600 -369.996 -45.7376 68.4773 -50.3462 -235.691 -160.259 132.727 29.356 80.3206 PRESSAVG: 1264600 -24.1143 -33.2104 9.96389 -33.2104 -19.2727 7.379 9.96394 7.37896 -1.50185 GPRESSAVG: 1264600 -23.6063 -32.2158 10.6023 -33.6271 -19.5273 5.38183 10.825 7.73264 -2.36926 TIMING: 1264600 CPU: 3996.51, 0.00319549/step Wall: 3996.51, 0.00319549/step, 3.31568 hours remaining, 234.230469 MB of memory in use. ENERGY: 1264600 3992.9263 20294.8987 14496.5915 264.7140 -203294.8399 2472.1651 0.0000 0.0000 51769.6173 -110003.9270 297.5207 -161773.5442 -109628.2617 298.1204 -205.7573 -175.1221 762093.5745 -14.9630 -15.1676 PRESSURE: 1264800 -69.5543 -240.128 124.89 -240.127 -134.933 171.212 124.89 171.212 147.686 GPRESSURE: 1264800 -0.671791 -228.41 126.019 -128.211 -81.8034 186.093 130.884 173.08 112.483 PRESSAVG: 1264800 16.8971 21.3079 -2.16901 21.3079 -44.1329 12.462 -2.16901 12.462 4.46851 GPRESSAVG: 1264800 16.4786 20.7982 -2.73286 23.4212 -45.9571 14.2235 -2.62654 11.8674 6.67381 TIMING: 1264800 CPU: 3997.14, 0.00318096/step Wall: 3997.14, 0.00318096/step, 3.30042 hours remaining, 234.230469 MB of memory in use. ENERGY: 1264800 3918.0412 20586.9449 14502.2674 242.5025 -203166.9764 2526.7880 0.0000 0.0000 51601.4912 -109788.9412 296.5545 -161390.4323 -109430.7698 298.0249 -18.9336 10.0025 761132.8153 -7.5891 -7.6016 PRESSURE: 1265000 -35.3541 -9.65213 -21.1021 -9.65132 -176.414 -30.9519 -21.1019 -30.9516 -398.844 GPRESSURE: 1265000 -50.5457 60.4038 -73.4252 81.0537 -139.365 -56.0952 -102.252 -56.9139 -335.489 PRESSAVG: 1265000 7.12004 41.9243 21.1563 41.9243 -15.4217 21.6176 21.1563 21.6176 2.39853 GPRESSAVG: 1265000 7.18433 43.0373 23.3989 40.9218 -15.231 21.4687 19.7771 21.0031 2.18971 TIMING: 1265000 CPU: 3997.78, 0.00318955/step Wall: 3997.78, 0.00318955/step, 3.30915 hours remaining, 234.230469 MB of memory in use. ENERGY: 1265000 3966.8696 20507.7289 14494.2788 254.1393 -203529.5018 2585.5585 0.0000 0.0000 52037.5091 -109683.4176 299.0603 -161720.9267 -109314.9305 298.3044 -203.5373 -175.1331 761563.5957 -1.9677 -1.9523 PRESSURE: 1265200 -57.0514 90.3974 -160.57 90.3974 -257.354 146.633 -160.57 146.633 -381.628 GPRESSURE: 1265200 8.53542 64.9026 -130.747 102.718 -251.7 133.086 -70.9543 68.645 -364.287 PRESSAVG: 1265200 12.6309 12.7649 33.1305 12.7649 -28.0133 45.4072 33.1305 45.4071 0.253166 GPRESSAVG: 1265200 12.2453 14.3154 32.69 12.4168 -26.4656 46.1751 31.864 44.6103 -0.519769 TIMING: 1265200 CPU: 3998.42, 0.00319334/step Wall: 3998.42, 0.00319334/step, 3.31292 hours remaining, 234.230469 MB of memory in use. ENERGY: 1265200 4020.8561 20477.2852 14476.5639 229.7607 -203129.9688 2625.2673 0.0000 0.0000 51765.5466 -109534.6890 297.4973 -161300.2356 -109171.9611 298.6825 -232.0112 -202.4837 762468.3270 -5.0431 -4.9133 PRESSURE: 1265400 -32.4104 63.5168 139.017 63.5169 93.4507 -58.7113 139.018 -58.7125 -292.231 GPRESSURE: 1265400 46.5028 126.548 150.024 63.0152 24.0069 7.96601 64.8451 92.2265 -208.591 PRESSAVG: 1265400 21.5033 37.0699 9.89904 37.0699 -47.0646 10.0603 9.89901 10.0603 6.88241 GPRESSAVG: 1265400 23.434 36.7032 7.99679 38.8983 -49.29 8.53831 10.8963 12.2211 7.16139 TIMING: 1265400 CPU: 3999.06, 0.00318114/step Wall: 3999.06, 0.00318114/step, 3.30008 hours remaining, 234.230469 MB of memory in use. ENERGY: 1265400 3879.5937 20576.6877 14409.0337 229.2245 -203490.4367 2628.4376 0.0000 0.0000 52020.5593 -109746.9002 298.9629 -161767.4595 -109379.5865 298.6277 -77.0637 -46.0269 763650.7136 -6.2263 -6.2315 PRESSURE: 1265600 181.21 92.2182 218.57 92.2171 -109.369 64.8522 218.57 64.8525 548.374 GPRESSURE: 1265600 250.142 111.079 125.007 132.866 -88.5471 -17.1966 201.367 129.761 533.416 PRESSAVG: 1265600 -9.56198 42.0078 27.837 42.0078 1.11364 -1.93233 27.8371 -1.93229 22.6299 GPRESSAVG: 1265600 -11.2009 40.4926 27.5711 43.1321 1.96689 -0.682116 29.4803 -3.34016 23.4286 TIMING: 1265600 CPU: 3999.7, 0.00319494/step Wall: 3999.7, 0.00319494/step, 3.31422 hours remaining, 234.433594 MB of memory in use. ENERGY: 1265600 3956.3114 20514.5608 14500.5416 251.5086 -203673.5544 2822.5270 0.0000 0.0000 51795.5125 -109832.5926 297.6695 -161628.1051 -109471.7091 298.1287 206.7386 231.6703 761793.4817 4.7272 4.7315 PRESSURE: 1265800 -379.257 -313.47 353.919 -313.47 -284.289 23.2377 353.919 23.2371 -320.18 GPRESSURE: 1265800 -316.528 -171.377 313.626 -271.037 -275.577 90.7264 310.762 -46.8224 -327.784 PRESSAVG: 1265800 66.5418 47.2905 47.7943 47.2905 -52.3796 -1.48051 47.7942 -1.48053 -17.0714 GPRESSAVG: 1265800 65.988 47.6621 48.9077 45.3406 -51.8304 -2.89822 45.2728 0.825448 -17.1368 TIMING: 1265800 CPU: 4000.33, 0.00318859/step Wall: 4000.33, 0.00318859/step, 3.30746 hours remaining, 234.433594 MB of memory in use. ENERGY: 1265800 3997.0670 20415.5128 14412.2074 224.6988 -203252.9176 2434.0749 0.0000 0.0000 52193.1353 -109576.2215 299.9547 -161769.3567 -109203.7976 298.5459 -327.9086 -306.6298 761499.1886 -0.9697 -0.9931 PRESSURE: 1266000 183.506 119.822 37.5032 119.822 -169.985 -151.385 37.5035 -151.385 -197.983 GPRESSURE: 1266000 203.18 229.193 4.17217 122.328 -109.149 -173.436 126.883 -163.56 -208.924 PRESSAVG: 1266000 11.1575 43.0792 70.5362 43.0791 -13.3796 16.5768 70.5362 16.5767 -35.2184 GPRESSAVG: 1266000 11.1715 41.5466 71.1463 43.2492 -13.993 18.9311 71.3034 15.3267 -35.2159 TIMING: 1266000 CPU: 4000.97, 0.00317689/step Wall: 4000.97, 0.00317689/step, 3.29514 hours remaining, 234.433594 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: 1266000 3961.8520 20426.7395 14439.1932 254.7562 -203643.0539 2835.2421 0.0000 0.0000 52115.7685 -109609.5024 299.5100 -161725.2710 -109245.8165 299.0116 -61.4869 -38.2976 761014.0225 -12.4801 -12.6791 PRESSURE: 1266200 -48.2536 27.7481 -81.2867 27.7483 -32.5208 -87.1026 -81.2867 -87.102 -137.325 GPRESSURE: 1266200 -22.7793 181.587 -216.113 26.9095 87.1398 -44.675 -49.1438 -137.968 -201.889 PRESSAVG: 1266200 5.15242 30.9733 -8.4243 30.9733 -75.9105 12.397 -8.42425 12.397 -16.4721 GPRESSAVG: 1266200 6.17473 32.2521 -9.32478 29.6128 -76.9335 11.0691 -8.43734 11.3231 -16.4282 TIMING: 1266200 CPU: 4001.6, 0.00316874/step Wall: 4001.6, 0.00316874/step, 3.28652 hours remaining, 234.433594 MB of memory in use. ENERGY: 1266200 4018.2351 20530.0742 14498.4484 235.4691 -203591.0719 2689.8325 0.0000 0.0000 52042.2437 -109576.7687 299.0875 -161619.0125 -109224.7752 298.5628 -72.6998 -45.8428 761971.4558 -29.0767 -29.0623 PRESSURE: 1266400 108.721 188.099 -42.8054 188.097 -119.055 -215.19 -42.8058 -215.189 -105.714 GPRESSURE: 1266400 162.37 137.245 3.32982 155.618 -12.3817 -261.739 42.1614 -158.129 -193.523 PRESSAVG: 1266400 7.59435 54.1658 4.77884 54.1658 3.36061 -57.0466 4.77892 -57.0467 15.2115 GPRESSAVG: 1266400 6.94838 54.2111 3.8654 54.6103 4.46416 -56.9319 4.87949 -56.5608 15.1797 TIMING: 1266400 CPU: 4002.24, 0.00317711/step Wall: 4002.24, 0.00317711/step, 3.29502 hours remaining, 234.433594 MB of memory in use. ENERGY: 1266400 3990.9962 20615.1294 14486.3639 241.6290 -203447.5099 2696.1875 0.0000 0.0000 51942.9590 -109474.2449 298.5169 -161417.2039 -109121.4866 298.6009 -38.6825 -14.5116 763005.4407 8.7222 8.8641 PRESSURE: 1266600 -151.432 112.542 49.0613 112.542 -124.99 22.9745 49.0609 22.9738 -99.4468 GPRESSURE: 1266600 -145.237 46.6596 -9.49022 124.252 -124.722 100.899 101.487 141.227 -18.0189 PRESSAVG: 1266600 71.9334 43.7417 -11.627 43.7417 -90.7688 -51.1509 -11.627 -51.1509 15.9834 GPRESSAVG: 1266600 73.9485 43.5604 -10.9163 43.6918 -91.1831 -52.4312 -11.5272 -48.7956 14.8648 TIMING: 1266600 CPU: 4002.88, 0.00320174/step Wall: 4002.88, 0.00320174/step, 3.32039 hours remaining, 234.433594 MB of memory in use. ENERGY: 1266600 4055.0336 20676.0807 14409.9515 245.6183 -203361.7535 2739.3042 0.0000 0.0000 51880.7818 -109354.9834 298.1596 -161235.7652 -108986.5137 298.9395 -125.2896 -95.9924 761673.9423 -0.9507 -0.7899 PRESSURE: 1266800 -139.822 -113.112 -1.95563 -113.112 -275.62 -138.35 -1.95524 -138.351 -223.082 GPRESSURE: 1266800 -229.09 -109.621 48.7979 -186.33 -117.559 -112.755 -1.65927 -180.453 -190.748 PRESSAVG: 1266800 -15.699 55.0864 -12.6953 55.0864 -0.687814 -10.1799 -12.6954 -10.1799 -1.67902 GPRESSAVG: 1266800 -17.3382 52.2677 -11.445 56.1523 -0.117306 -8.59067 -12.1192 -13.251 -0.345388 TIMING: 1266800 CPU: 4003.51, 0.00317282/step Wall: 4003.51, 0.00317282/step, 3.29021 hours remaining, 234.433594 MB of memory in use. ENERGY: 1266800 4062.1368 20658.8762 14435.9186 237.7944 -203083.7891 2451.3783 0.0000 0.0000 51959.1908 -109278.4939 298.6102 -161237.6846 -108922.1623 298.9670 -212.8410 -179.1321 761376.1794 -6.0220 -5.9336 PRESSURE: 1267000 461.253 -109.794 -19.005 -109.794 206.655 1.99561 -19.0051 1.99648 56.6271 GPRESSURE: 1267000 439.258 -204.422 -96.6239 -110.771 234.235 -18.352 -34.0815 64.7968 130.445 PRESSAVG: 1267000 3.47294 -28.0345 -8.25794 -28.0345 -27.8476 1.79894 -8.25793 1.79901 -5.91218 GPRESSAVG: 1267000 3.53255 -27.4274 -7.96645 -27.3503 -27.6321 1.76878 -8.16016 3.98465 -6.19761 TIMING: 1267000 CPU: 4004.15, 0.00317324/step Wall: 4004.15, 0.00317324/step, 3.29048 hours remaining, 234.433594 MB of memory in use. ENERGY: 1267000 3963.0902 20662.7726 14415.9415 238.9820 -203698.7372 2916.0705 0.0000 0.0000 52299.2045 -109202.6759 300.5642 -161501.8804 -108839.3255 299.5364 241.5117 267.9793 760506.9587 -10.0956 -10.0990 PRESSURE: 1267200 48.6723 234.71 218.43 234.71 -191.093 184.124 218.43 184.125 145.313 GPRESSURE: 1267200 108.267 167.64 179.823 237 -145.635 95.0344 197.295 184.9 117.277 PRESSAVG: 1267200 67.2351 23.4478 6.54427 23.4478 -27.8202 12.2967 6.54421 12.2967 14.3644 GPRESSAVG: 1267200 68.6545 24.9163 5.08846 22.9337 -28.056 10.9945 6.34375 10.7876 13.7959 TIMING: 1267200 CPU: 4004.78, 0.00316832/step Wall: 4004.78, 0.00316832/step, 3.2852 hours remaining, 234.433594 MB of memory in use. ENERGY: 1267200 3990.2193 20521.5583 14481.4162 258.6442 -203437.5613 2681.4345 0.0000 0.0000 52355.1604 -109149.1284 300.8858 -161504.2887 -108786.3899 299.6910 0.9639 26.6365 761139.0463 17.9264 18.1315 PRESSURE: 1267400 36.0771 -207.969 1.44667 -207.969 -235.899 20.6902 1.44705 20.6905 -161.714 GPRESSURE: 1267400 51.8589 -232.876 75.6598 -98.6647 -126.296 6.68929 21.865 -89.9116 -197.034 PRESSAVG: 1267400 29.3057 -12.6125 -6.78021 -12.6125 -46.2034 -39.4514 -6.78019 -39.4515 -9.09723 GPRESSAVG: 1267400 29.0258 -10.9344 -6.00761 -14.6603 -45.7496 -38.8527 -4.21234 -40.7552 -9.1088 TIMING: 1267400 CPU: 4005.42, 0.00316513/step Wall: 4005.42, 0.00316513/step, 3.28171 hours remaining, 234.433594 MB of memory in use. ENERGY: 1267400 3979.1035 20651.1341 14472.2908 241.1358 -203171.7613 2509.0714 0.0000 0.0000 52297.4356 -109021.5901 300.5541 -161319.0258 -108669.6181 299.8003 -120.5119 -90.4905 760318.5639 -8.6650 -8.6108 PRESSURE: 1267600 21.8376 228.336 -50.4614 228.336 97.0567 92.7017 -50.4615 92.7022 -20.1055 GPRESSURE: 1267600 62.5898 209.4 40.504 309.074 117.877 47.5699 -113.829 198.145 18.7536 PRESSAVG: 1267600 23.8458 -15.0277 -0.522483 -15.0277 14.4361 5.11282 -0.522452 5.11281 4.55269 GPRESSAVG: 1267600 22.6656 -18.4509 -1.22654 -13.8531 15.8521 5.4297 -5.66982 7.75625 4.46638 TIMING: 1267600 CPU: 4006.05, 0.00317771/step Wall: 4006.05, 0.00317771/step, 3.29458 hours remaining, 234.433594 MB of memory in use. ENERGY: 1267600 4013.1645 20553.6305 14453.6632 253.6333 -202903.1655 2585.8910 0.0000 0.0000 51916.6622 -109126.5207 298.3658 -161043.1829 -108761.0171 299.5601 32.9296 66.4068 762063.3829 14.2782 14.3280 PRESSURE: 1267800 196.2 -84.6609 167.239 -84.6609 129.004 40.3557 167.239 40.3558 104.606 GPRESSURE: 1267800 231.601 -100.959 137.972 -197.857 172.453 62.6698 109.836 29.2916 117.894 PRESSAVG: 1267800 -9.84882 4.51256 29.0165 4.51262 30.664 -7.05529 29.0165 -7.05519 2.63595 GPRESSAVG: 1267800 -8.63383 6.70518 26.748 6.37337 29.4496 -5.7856 31.3563 -8.14735 2.60947 TIMING: 1267800 CPU: 4006.69, 0.00318679/step Wall: 4006.69, 0.00318679/step, 3.30382 hours remaining, 234.433594 MB of memory in use. ENERGY: 1267800 4077.9656 20648.4080 14563.6965 243.2322 -203351.4991 2735.0217 0.0000 0.0000 51953.7184 -109129.4568 298.5787 -161083.1751 -108778.4066 299.8450 143.2701 173.9826 761509.8252 7.8170 7.8084 PRESSURE: 1268000 213.736 -139.625 -166.316 -139.625 -32.5597 36.678 -166.316 36.6784 256.796 GPRESSURE: 1268000 243.739 -180.015 -65.6224 -92.7615 42.1864 -15.8057 -207.611 42.7914 240.757 PRESSAVG: 1268000 10.5152 -49.2664 -20.7679 -49.2663 -8.87948 5.12203 -20.7678 5.12211 11.4405 GPRESSAVG: 1268000 10.9149 -47.1387 -18.2478 -52.1728 -9.52783 3.38943 -20.539 4.34416 11.6132 TIMING: 1268000 CPU: 4007.32, 0.00318062/step Wall: 4007.32, 0.00318062/step, 3.29724 hours remaining, 234.433594 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: 1268000 3911.1734 20685.3238 14466.3379 236.2588 -203420.5608 2870.7429 0.0000 0.0000 52056.8176 -109193.9064 299.1712 -161250.7240 -108832.7305 299.9900 145.9910 175.5606 763221.5267 4.3587 4.3334 PRESSURE: 1268200 273.608 -156.891 -29.6567 -156.892 100.364 -299.749 -29.658 -299.748 251.944 GPRESSURE: 1268200 251.321 -39.2474 -80.0644 -42.4256 171.758 -166.637 -14.0471 -302.635 297.096 PRESSAVG: 1268200 23.6943 -13.9815 1.24142 -13.9815 -38.8818 13.8792 1.24139 13.8792 -12.0119 GPRESSAVG: 1268200 23.1758 -15.9211 1.52854 -11.3506 -38.3668 14.8071 2.16314 14.4331 -11.5117 TIMING: 1268200 CPU: 4007.96, 0.00318486/step Wall: 4007.96, 0.00318486/step, 3.30146 hours remaining, 234.433594 MB of memory in use. ENERGY: 1268200 4054.7858 20411.3760 14418.2140 227.0054 -203768.0951 2977.8189 0.0000 0.0000 52226.2129 -109452.6822 300.1448 -161678.8951 -109086.5630 299.1309 208.6388 240.0582 761179.2831 -9.0665 -8.9009 LDB: ============= START OF LOAD BALANCING ============== 4020.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4020.5 LDB: =============== DONE WITH MIGRATION ================ 4020.5 LDB: ============= START OF LOAD BALANCING ============== 4020.82 LDB: Largest compute 7042 load 0.031006 is 15.9% of average load 0.195329 LDB: Average compute 0.004416 is 2.3% of average load 0.195329 LDB: TIME 4020.82 LOAD: AVG 0.195329 MAX 0.214076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.391 MB LDB: TIME 4020.82 LOAD: AVG 0.195329 MAX 0.214076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.484 MB LDB: TIME 4020.82 LOAD: AVG 0.195329 MAX 0.214076 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.484 MB LDB: ============== END OF LOAD BALANCING =============== 4020.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4020.83 PRESSURE: 1268400 -20.3144 69.4703 16.0734 69.4701 -226.054 -121.418 16.0728 -121.418 98.1318 GPRESSURE: 1268400 9.59918 81.9953 -50.8703 22.2121 -101.365 -64.5359 31.5047 -109.759 27.1609 PRESSAVG: 1268400 1.39324 -2.86665 -1.25674 -2.86662 -9.18139 -37.2903 -1.2567 -37.2904 1.22931 GPRESSAVG: 1268400 1.61082 -3.77233 -3.70483 -5.56469 -9.64851 -38.3458 -0.848303 -37.2431 1.28202 TIMING: 1268400 CPU: 4008.61, 0.00324952/step Wall: 4008.61, 0.00324952/step, 3.36831 hours remaining, 232.675781 MB of memory in use. ENERGY: 1268400 3921.8921 20458.7481 14447.1178 223.6832 -203309.8805 2550.0061 0.0000 0.0000 52252.5069 -109455.9263 300.2959 -161708.4332 -109090.1553 298.9953 -49.4122 -21.5351 760729.4395 -2.1863 -2.2519 PRESSURE: 1268600 -13.4697 135.574 23.5057 135.574 -45.1793 -102.406 23.5053 -102.407 -130.275 GPRESSURE: 1268600 42.3202 205.027 15.4497 51.6432 10.4643 -97.8275 12.756 -163.305 -142.125 PRESSAVG: 1268600 29.3717 -9.65885 -23.5183 -9.6588 -49.4003 -11.018 -23.5184 -11.0179 19.7679 GPRESSAVG: 1268600 28.9152 -8.81889 -22.492 -8.00985 -48.2874 -10.0191 -24.3246 -11.1432 19.1131 TIMING: 1268600 CPU: 4009.24, 0.00315328/step Wall: 4009.24, 0.00315328/step, 3.26838 hours remaining, 232.675781 MB of memory in use. ENERGY: 1268600 3998.9853 20598.8543 14466.3908 244.1095 -203217.5006 2725.4438 0.0000 0.0000 52100.2857 -109083.4312 299.4211 -161183.7169 -108719.3461 299.0655 -62.9746 -29.7801 761194.9258 -0.0869 -0.0864 PRESSURE: 1268800 -346.738 24.7044 -7.40083 24.7048 -109.971 65.8392 -7.40127 65.8397 -195.659 GPRESSURE: 1268800 -282.878 -67.5115 -6.25779 -58.9195 -146.029 62.3546 -42.626 -79.7726 -144.757 PRESSAVG: 1268800 48.9372 12.8396 -7.89661 12.8396 -28.0338 -15.128 -7.8966 -15.128 -2.71025 GPRESSAVG: 1268800 49.3846 12.0025 -7.2249 12.9681 -29.0499 -16.1981 -8.21399 -12.3778 -2.16718 TIMING: 1268800 CPU: 4009.88, 0.00318566/step Wall: 4009.88, 0.00318566/step, 3.30176 hours remaining, 232.675781 MB of memory in use. ENERGY: 1268800 3963.4350 20626.9722 14434.5915 227.2618 -202533.0503 2268.9124 0.0000 0.0000 51886.1659 -109125.7115 298.1905 -161011.8774 -108763.2133 299.8161 -217.4561 -191.2214 763244.3148 6.0644 6.0559 PRESSURE: 1269000 -104.536 -32.738 155.84 -32.7381 -356.686 134.478 155.839 134.477 87.5969 GPRESSURE: 1269000 -75.145 -67.3173 184.04 -61.6162 -310.23 95.3215 52.4577 338.946 88.5601 PRESSAVG: 1269000 13.8786 -8.87798 -11.1646 -8.87797 -21.8659 14.4375 -11.1646 14.4375 12.7394 GPRESSAVG: 1269000 14.5446 -7.33303 -10.9112 -11.0635 -21.3195 13.1413 -12.6589 11.7656 12.2387 TIMING: 1269000 CPU: 4010.52, 0.00320046/step Wall: 4010.52, 0.00320046/step, 3.31692 hours remaining, 232.675781 MB of memory in use. ENERGY: 1269000 3942.2228 20328.3278 14500.1250 244.9642 -202883.8385 2335.6508 0.0000 0.0000 52268.5889 -109263.9591 300.3883 -161532.5480 -108891.5785 299.0550 -124.5420 -98.9382 762274.4589 1.5841 1.8213 PRESSURE: 1269200 -238.172 253.828 -33.4798 253.828 25.1343 -114.585 -33.4807 -114.584 -355.114 GPRESSURE: 1269200 -268.775 163.361 -9.27955 400.152 82.6419 -173.523 -30.8059 -23.6436 -299.946 PRESSAVG: 1269200 -27.2692 11.3645 7.75796 11.3645 45.7435 -30.7132 7.75789 -30.7132 7.26694 GPRESSAVG: 1269200 -27.8845 9.871 6.48805 13.262 45.0238 -30.468 11.0578 -29.3737 8.6148 TIMING: 1269200 CPU: 4011.15, 0.00317528/step Wall: 4011.15, 0.00317528/step, 3.29065 hours remaining, 232.675781 MB of memory in use. ENERGY: 1269200 4001.5646 20472.5096 14432.8214 257.6762 -203251.9088 2625.4717 0.0000 0.0000 52142.6851 -109319.1802 299.6647 -161461.8653 -108949.2040 299.3128 -189.3838 -162.0262 762822.3513 8.5804 8.5847 PRESSURE: 1269400 -12.3174 89.1565 5.91757 89.1555 67.362 -26.2631 5.91772 -26.2633 674.025 GPRESSURE: 1269400 11.3833 102.904 -1.63336 62.0129 102.868 18.9435 -144.831 70.5658 687.58 PRESSAVG: 1269400 -33.7311 -3.47453 19.5633 -3.47458 6.50643 -9.90477 19.5633 -9.90477 -7.37381 GPRESSAVG: 1269400 -32.7709 -1.92522 21.2275 -4.02273 6.60742 -8.56416 17.6291 -9.61645 -8.41192 TIMING: 1269400 CPU: 4011.79, 0.00317852/step Wall: 4011.79, 0.00317852/step, 3.29383 hours remaining, 232.675781 MB of memory in use. ENERGY: 1269400 3926.4612 20522.2514 14464.7262 246.2742 -203017.0357 2632.7183 0.0000 0.0000 51843.9157 -109380.6887 297.9477 -161224.6044 -109023.6311 298.9139 243.0234 267.2773 762422.8432 -11.5328 -11.5251 PRESSURE: 1269600 304.462 85.4602 -3.21846 85.46 481.175 -68.9091 -3.21837 -68.909 29.9081 GPRESSURE: 1269600 286.226 22.6569 1.59994 92.2727 547.283 -67.8009 16.9205 45.6849 94.7931 PRESSAVG: 1269600 27.4837 5.30541 1.95831 5.30539 -10.7926 34.2145 1.95843 34.2145 28.7422 GPRESSAVG: 1269600 27.439 2.39057 1.6422 5.133 -10.9636 34.2942 1.90693 33.7975 28.7956 TIMING: 1269600 CPU: 4012.43, 0.00317691/step Wall: 4012.43, 0.00317691/step, 3.29199 hours remaining, 232.675781 MB of memory in use. ENERGY: 1269600 3938.7329 20319.4658 14401.4594 245.5793 -203420.9987 2816.3867 0.0000 0.0000 52114.7759 -109584.5987 299.5043 -161699.3746 -109222.7256 298.8486 271.8486 309.4340 761638.7047 15.1444 15.0903 PRESSURE: 1269800 -246.743 -146.905 89.2243 -146.905 -234.714 -11.0527 89.2247 -11.0521 338.982 GPRESSURE: 1269800 -275.093 -97.54 43.9718 -64.4803 -127.823 -25.9329 103.895 -2.8884 362.13 PRESSAVG: 1269800 -31.0204 27.7549 39.4031 27.7548 13.3403 66.7794 39.4032 66.7794 4.64961 GPRESSAVG: 1269800 -32.4258 28.1496 39.7369 28.0291 14.3624 66.7793 40.4615 65.1914 4.69971 TIMING: 1269800 CPU: 4013.06, 0.00318751/step Wall: 4013.06, 0.00318751/step, 3.30279 hours remaining, 232.675781 MB of memory in use. ENERGY: 1269800 3904.8304 20377.9937 14510.0024 236.5934 -203035.3756 2444.3226 0.0000 0.0000 51858.8737 -109702.7593 298.0337 -161561.6331 -109348.5285 298.3587 -47.4917 -13.5951 763330.4223 -4.3435 -4.4546 PRESSURE: 1270000 -53.3035 -88.9597 74.7869 -88.9602 -432.267 -138.549 74.7876 -138.548 7.16305 GPRESSURE: 1270000 -53.7378 -115.05 26.1444 -148.441 -411.691 -108.224 -87.2026 -75.4332 52.8084 PRESSAVG: 1270000 -101.305 -42.5479 -14.5034 -42.5478 78.7656 -22.1584 -14.5034 -22.1583 10.4883 GPRESSAVG: 1270000 -99.6477 -41.2453 -13.0943 -41.3031 77.4339 -22.8923 -17.2474 -20.4184 10.0043 TIMING: 1270000 CPU: 4013.7, 0.00318013/step Wall: 4013.7, 0.00318013/step, 3.29497 hours remaining, 232.675781 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: 1270000 3934.5676 20459.7448 14483.5640 223.4637 -203109.8987 2370.0820 0.0000 0.0000 51739.1703 -109899.3062 297.3457 -161638.4765 -109545.7077 298.0346 -159.4691 -137.5402 763075.5298 -4.0171 -4.0698 PRESSURE: 1270200 -52.3913 10.3344 -102.156 10.3354 -75.4352 15.0754 -102.156 15.0749 186.763 GPRESSURE: 1270200 -20.6608 -9.31656 -136.392 -55.5833 -19.5877 49.0385 -29.842 -15.2213 186.788 PRESSAVG: 1270200 -24.0887 -18.8017 -27.9933 -18.8017 77.3776 -3.21602 -27.9932 -3.21595 -4.00603 GPRESSAVG: 1270200 -24.453 -18.7532 -29.1344 -19.9009 78.14 -2.50138 -26.744 -3.7599 -3.89944 TIMING: 1270200 CPU: 4014.34, 0.00319612/step Wall: 4014.34, 0.00319612/step, 3.31136 hours remaining, 232.675781 MB of memory in use. ENERGY: 1270200 3996.7230 20456.8084 14484.7614 264.9201 -203184.1837 2518.0372 0.0000 0.0000 51845.2107 -109617.7229 297.9551 -161462.9336 -109256.9213 297.9062 19.6456 48.8465 762048.6880 16.4276 16.5959 PRESSURE: 1270400 -392.335 -12.5951 -151.833 -12.5953 286.715 -43.0315 -151.833 -43.0312 -179.78 GPRESSURE: 1270400 -343.466 -5.20936 -79.1599 47.2103 272.183 10.8314 -321.073 57.4863 -128.31 PRESSAVG: 1270400 -98.4419 20.8009 -37.7419 20.8009 74.9442 -40.3055 -37.7418 -40.3055 -2.03875 GPRESSAVG: 1270400 -98.5383 21.3464 -38.3925 20.2197 75.5658 -39.3029 -39.3969 -40.1059 -2.66538 TIMING: 1270400 CPU: 4014.97, 0.00318138/step Wall: 4014.97, 0.00318138/step, 3.2959 hours remaining, 232.675781 MB of memory in use. ENERGY: 1270400 4015.5017 20251.7447 14477.0174 252.2435 -203162.6625 2577.4169 0.0000 0.0000 51896.5610 -109692.1773 298.2502 -161588.7383 -109326.8660 297.9730 -95.1334 -66.5310 759955.5299 -8.5122 -8.5460 PRESSURE: 1270600 -306.072 170.092 -307.062 170.093 117.332 -82.1666 -307.062 -82.1665 310.671 GPRESSURE: 1270600 -268.632 241.72 -362.859 170.632 184.312 -51.119 -122.479 -39.6064 289.367 PRESSAVG: 1270600 23.3296 -26.8653 -48.005 -26.8653 -2.64414 -15.7334 -48.0049 -15.7334 2.45637 GPRESSAVG: 1270600 23.1205 -27.9857 -47.1677 -24.0616 -2.10556 -15.3262 -47.6475 -18.5235 2.0408 TIMING: 1270600 CPU: 4015.61, 0.0031818/step Wall: 4015.61, 0.0031818/step, 3.29617 hours remaining, 232.675781 MB of memory in use. ENERGY: 1270600 3977.3465 20482.2973 14548.4633 227.8086 -202866.5656 2224.5473 0.0000 0.0000 51888.6837 -109517.4189 298.2050 -161406.1026 -109166.7493 298.8152 40.6438 68.3488 760141.9474 7.7139 7.6852 PRESSURE: 1270800 80.178 185.3 -31.2501 185.301 -128.7 19.8894 -31.2499 19.8896 -274.858 GPRESSURE: 1270800 25.5021 205.534 -6.29526 154.138 -97.6417 70.6424 -28.0408 113.896 -174.056 PRESSAVG: 1270800 -73.646 -1.74013 -21.993 -1.74015 63.3648 75.1389 -21.9931 75.1389 2.05647 GPRESSAVG: 1270800 -73.5513 -1.80624 -22.3792 -4.89786 61.4966 73.6371 -19.7153 77.901 3.76906 TIMING: 1270800 CPU: 4016.25, 0.00318395/step Wall: 4016.25, 0.00318395/step, 3.29822 hours remaining, 232.675781 MB of memory in use. ENERGY: 1270800 3963.9892 20312.3071 14536.9277 258.5877 -203248.4191 2417.1438 0.0000 0.0000 52078.0851 -109681.3786 299.2935 -161759.4636 -109309.1122 298.4883 -107.7933 -82.0651 762566.9622 -2.7416 -2.7619 PRESSURE: 1271000 -269.128 -222.714 51.3804 -222.713 248.014 97.0964 51.3805 97.096 -121.886 GPRESSURE: 1271000 -113.151 -76.2794 67.9368 -237.088 172.721 81.0067 -37.9781 41.8508 -110.325 PRESSAVG: 1271000 -64.9631 38.279 3.57484 38.279 65.1741 -22.2668 3.5748 -22.2667 -0.432445 GPRESSAVG: 1271000 -65.1035 40.1514 3.08354 37.9151 65.4418 -20.919 1.89439 -22.9923 -0.150387 TIMING: 1271000 CPU: 4016.88, 0.00317094/step Wall: 4016.88, 0.00317094/step, 3.28457 hours remaining, 232.675781 MB of memory in use. ENERGY: 1271000 3984.0420 20458.0525 14492.0869 228.8314 -203723.3290 2877.3039 0.0000 0.0000 51963.4096 -109719.6026 298.6344 -161683.0123 -109351.9337 298.3977 -47.6668 -16.9184 763093.5511 -0.0738 0.0626 PRESSURE: 1271200 -103.302 56.6453 229.296 56.6463 -74.559 14.7277 229.297 14.7281 206.515 GPRESSURE: 1271200 3.76506 148.97 214.959 29.8047 -117.518 58.42 187.061 -56.5589 224.161 PRESSAVG: 1271200 -42.7543 9.54435 -43.0009 9.54433 21.6808 -28.5614 -43.0009 -28.5614 27.64 GPRESSAVG: 1271200 -42.3757 9.57968 -42.887 10.7533 21.7601 -28.3141 -44.6135 -28.9621 26.3826 TIMING: 1271200 CPU: 4017.52, 0.00318352/step Wall: 4017.52, 0.00318352/step, 3.29741 hours remaining, 232.675781 MB of memory in use. ENERGY: 1271200 4002.5328 20361.0990 14496.8625 268.7409 -203359.9782 2615.6535 0.0000 0.0000 51916.2915 -109698.7979 298.3636 -161615.0894 -109349.6317 298.4858 9.5513 36.8028 760964.0493 2.1888 1.9223 PRESSURE: 1271400 -11.541 -117.166 -179.779 -117.166 305.579 -92.3855 -179.779 -92.3851 -110.578 GPRESSURE: 1271400 -13.1774 -51.2946 -121.921 -239.102 375.946 -84.5297 -151.275 -24.7854 -101.325 PRESSAVG: 1271400 -13.9927 -19.7419 -10.828 -19.7419 35.3758 66.7947 -10.828 66.7948 -17.8023 GPRESSAVG: 1271400 -15.3403 -22.154 -11.087 -19.1441 36.1652 65.2194 -10.0177 68.1825 -16.9171 TIMING: 1271400 CPU: 4018.15, 0.00317702/step Wall: 4018.15, 0.00317703/step, 3.29052 hours remaining, 232.675781 MB of memory in use. ENERGY: 1271400 3976.6639 20403.3233 14416.9469 238.3989 -203534.9903 2577.9120 0.0000 0.0000 51960.2691 -109961.4764 298.6164 -161921.7454 -109608.6227 298.5774 61.1535 87.1476 761926.1340 1.1936 1.3026 PRESSURE: 1271600 -29.7163 162.938 7.43808 162.937 65.171 108.578 7.43694 108.577 -165.778 GPRESSURE: 1271600 -6.63946 124.37 23.6332 197.536 120.485 125.717 58.7402 105.319 -151.655 PRESSAVG: 1271600 -19.7692 33.2047 -18.1819 33.2047 -20.5321 65.0995 -18.1819 65.0995 5.40484 GPRESSAVG: 1271600 -18.8307 33.1367 -16.492 34.156 -19.934 66.4746 -18.713 62.6449 4.01625 TIMING: 1271600 CPU: 4018.79, 0.00319537/step Wall: 4018.79, 0.00319537/step, 3.30934 hours remaining, 232.675781 MB of memory in use. ENERGY: 1271600 3934.3000 20267.2063 14418.7855 251.3274 -203285.1938 2746.9612 0.0000 0.0000 51827.7929 -109838.8205 297.8550 -161666.6133 -109475.0095 297.9062 -43.4410 -12.6032 760508.5677 -11.6322 -11.5828 PRESSURE: 1271800 -279.392 23.5794 -55.8315 23.5797 44.5926 262.306 -55.8309 262.306 -112.949 GPRESSURE: 1271800 -145.577 25.2321 -32.4824 -1.76393 -28.1102 174.02 -52.6333 239.931 -92.7231 PRESSAVG: 1271800 15.0833 -13.7777 -29.7648 -13.7778 -26.2005 49.562 -29.7648 49.5621 6.75635 GPRESSAVG: 1271800 14.888 -13.4774 -32.6691 -16.7453 -27.6387 46.4427 -26.6431 51.5106 8.48406 TIMING: 1271800 CPU: 4019.43, 0.00318088/step Wall: 4019.43, 0.00318088/step, 3.29416 hours remaining, 232.675781 MB of memory in use. ENERGY: 1271800 3932.7708 20509.4938 14479.7323 238.9147 -203080.6069 2521.5874 0.0000 0.0000 51675.1514 -109722.9564 296.9778 -161398.1078 -109367.4694 298.1724 -115.9164 -88.8035 762131.6060 -1.4536 -1.4222 PRESSURE: 1272000 -93.2165 61.9629 -51.3206 61.963 -255.995 -14.3358 -51.3209 -14.3355 158.401 GPRESSURE: 1272000 -16.4491 197.172 -119.442 83.0488 -194.032 -30.2285 -38.3123 20.4776 97.4312 PRESSAVG: 1272000 2.55051 -30.7904 -1.53719 -30.7903 -40.149 46.2898 -1.5372 46.2898 -25.6305 GPRESSAVG: 1272000 2.78368 -29.8323 0.580461 -27.5173 -38.9141 47.8872 -2.12746 44.5759 -26.8397 TIMING: 1272000 CPU: 4020.07, 0.00318196/step Wall: 4020.07, 0.00318196/step, 3.2951 hours remaining, 232.675781 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: 1272000 3975.8485 20552.1892 14425.6419 263.2433 -202933.7999 2425.9040 0.0000 0.0000 51840.0633 -109450.9098 297.9256 -161290.9731 -109088.7567 298.7924 -63.6033 -37.6832 762960.8919 -21.0763 -20.9900 PRESSURE: 1272200 266.722 11.7659 -156.832 11.7654 -256.895 119.945 -156.832 119.946 38.0328 GPRESSURE: 1272200 145.306 28.1398 -77.3691 -147.081 -163.362 150.046 -72.2524 138.194 150.682 PRESSAVG: 1272200 5.70898 -46.4192 -20.9036 -46.4192 5.75287 2.40716 -20.9036 2.40722 3.64117 GPRESSAVG: 1272200 5.83348 -45.5542 -21.857 -48.1468 4.73027 2.06822 -20.8699 1.71337 4.71501 TIMING: 1272200 CPU: 4020.7, 0.0031836/step Wall: 4020.7, 0.0031836/step, 3.29662 hours remaining, 232.675781 MB of memory in use. ENERGY: 1272200 4061.8588 20510.5792 14449.8882 249.6084 -203844.4761 2836.5911 0.0000 0.0000 52250.6149 -109485.3357 300.2850 -161735.9506 -109118.3754 298.9634 15.9533 44.2086 760229.3350 5.0343 5.0929 LDB: ============= START OF LOAD BALANCING ============== 4033.24 LDB: ============== END OF LOAD BALANCING =============== 4033.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4033.24 LDB: ============= START OF LOAD BALANCING ============== 4033.56 LDB: Largest compute 7060 load 0.032195 is 16.5% of average load 0.195374 LDB: Average compute 0.004404 is 2.3% of average load 0.195374 LDB: TIME 4033.56 LOAD: AVG 0.195374 MAX 0.215676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.961 MB LDB: TIME 4033.56 LOAD: AVG 0.195374 MAX 0.215676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: TIME 4033.56 LOAD: AVG 0.195374 MAX 0.215676 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.164 MB LDB: ============== END OF LOAD BALANCING =============== 4033.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4033.57 PRESSURE: 1272400 146.226 28.4214 204.733 28.4206 -177.17 -50.3349 204.734 -50.3365 -239.705 GPRESSURE: 1272400 136.9 37.7487 227.172 25.9087 -86.603 -53.4129 139.434 -104.308 -236.437 PRESSAVG: 1272400 -29.6287 -10.3093 -25.4693 -10.3093 4.61862 31.3638 -25.4693 31.3638 -15.7218 GPRESSAVG: 1272400 -29.8889 -10.4319 -23.0296 -11.7159 5.77993 31.3 -27.5626 33.8862 -17.0883 TIMING: 1272400 CPU: 4021.35, 0.00323762/step Wall: 4021.35, 0.00323762/step, 3.35238 hours remaining, 232.675781 MB of memory in use. ENERGY: 1272400 3971.5911 20634.4224 14432.5746 237.4862 -203154.7921 2578.4012 0.0000 0.0000 52012.7816 -109287.5349 298.9182 -161300.3166 -108931.9640 299.3133 -90.2162 -62.0467 761564.2580 -13.5773 -13.7324 PRESSURE: 1272600 -255.621 -20.0596 67.2487 -20.0585 24.7577 -31.0026 67.2491 -31.0031 -133.487 GPRESSURE: 1272600 -160.949 -35.3431 35.1037 -56.3711 -2.60292 -45.0304 -44.5452 -157.307 -113.126 PRESSAVG: 1272600 -44.43 -8.71266 -13.4194 -8.71263 9.88184 -0.523955 -13.4194 -0.523945 -11.9961 GPRESSAVG: 1272600 -43.4174 -9.72393 -15.6584 -6.19001 9.01651 -0.322658 -11.5068 -2.29722 -11.9762 TIMING: 1272600 CPU: 4021.98, 0.00316502/step Wall: 4021.98, 0.00316503/step, 3.27703 hours remaining, 232.878906 MB of memory in use. ENERGY: 1272600 3993.9590 20537.8075 14383.1492 255.6980 -203181.3907 2654.9028 0.0000 0.0000 51899.7195 -109456.1549 298.2684 -161355.8743 -109101.8079 299.3946 -121.4501 -92.2258 760897.3220 -15.5148 -15.4590 PRESSURE: 1272800 -480.844 3.83471 54.5168 3.83529 45.9437 -64.3778 54.5158 -64.3775 18.059 GPRESSURE: 1272800 -397.523 0.888541 82.6247 5.20567 48.3597 -160.924 183.346 12.3222 24.3499 PRESSAVG: 1272800 32.9345 47.7962 27.4295 47.7963 -1.97819 -12.997 27.4295 -12.9969 2.90328 GPRESSAVG: 1272800 32.7233 48.6442 29.0845 50.2679 -3.20803 -13.0707 25.8671 -14.1883 3.72849 TIMING: 1272800 CPU: 4022.61, 0.0031602/step Wall: 4022.61, 0.00316019/step, 3.27186 hours remaining, 232.878906 MB of memory in use. ENERGY: 1272800 3983.4176 20516.7936 14443.2907 234.3061 -203509.2645 2677.7960 0.0000 0.0000 52240.2238 -109413.4366 300.2253 -161653.6604 -109047.7219 299.3951 -138.9470 -108.2711 761136.2970 11.2865 11.0813 PRESSURE: 1273000 -201.466 124.123 13.0495 124.123 -22.6318 89.7116 13.0492 89.7115 -56.1145 GPRESSURE: 1273000 -124.787 94.0469 -31.6787 57.8998 45.9705 138.207 53.7136 165.907 -111.815 PRESSAVG: 1273000 -48.0506 21.4515 46.2463 21.4515 47.2287 2.29665 46.2463 2.29667 13.7334 GPRESSAVG: 1273000 -49.5224 19.4589 44.7206 20.784 49.1289 1.97777 46.5616 4.77313 13.3085 TIMING: 1273000 CPU: 4023.25, 0.00316753/step Wall: 4023.25, 0.00316753/step, 3.27927 hours remaining, 232.878906 MB of memory in use. ENERGY: 1273000 3984.6067 20468.0531 14399.6681 259.7786 -203083.3058 2554.4108 0.0000 0.0000 51941.8066 -109474.9819 298.5103 -161416.7886 -109114.9451 298.6982 -93.4042 -63.5437 761379.0005 4.3038 4.3050 PRESSURE: 1273200 -352.077 -88.5949 -64.6211 -88.5949 -285.271 -33.8674 -64.6204 -33.8675 -452.729 GPRESSURE: 1273200 -419.195 -71.9459 -43.9623 -96.6882 -180.587 -83.0716 -84.8028 -128.588 -405.306 PRESSAVG: 1273200 -22.5277 -24.5221 -0.457587 -24.5221 30.4135 -1.14398 -0.457603 -1.14396 3.8996 GPRESSAVG: 1273200 -22.2004 -21.836 0.582302 -27.4111 29.5574 -0.59655 -1.55511 -1.87131 4.12285 TIMING: 1273200 CPU: 4023.89, 0.003196/step Wall: 4023.89, 0.003196/step, 3.30857 hours remaining, 233.082031 MB of memory in use. ENERGY: 1273200 3882.6151 20639.9055 14346.0452 234.1245 -203114.4040 2337.0105 0.0000 0.0000 52197.8273 -109476.8760 299.9816 -161674.7033 -109105.5029 299.2831 -363.3589 -335.0294 761524.9925 3.9284 3.8266 PRESSURE: 1273400 -306.075 -49.6582 -46.8256 -49.6586 -83.0294 93.0413 -46.8249 93.0413 197.662 GPRESSURE: 1273400 -186.179 -32.4885 -76.4572 -58.8536 -16.6636 93.5573 21.7733 173.09 87.3875 PRESSAVG: 1273400 -0.162967 -21.8539 -14.0626 -21.8539 10.9738 -16.0852 -14.0626 -16.0853 -14.3432 GPRESSAVG: 1273400 -0.492923 -22.0942 -15.2908 -23.2701 10.7935 -16.5037 -13.1742 -16.3655 -14.83 TIMING: 1273400 CPU: 4024.53, 0.00320115/step Wall: 4024.53, 0.00320115/step, 3.31372 hours remaining, 233.082031 MB of memory in use. ENERGY: 1273400 3938.4858 20600.9941 14472.7557 233.9336 -203336.7670 2659.9303 0.0000 0.0000 52087.9006 -109342.7670 299.3499 -161430.6675 -108982.9306 299.3384 -63.8139 -38.4849 760168.9482 -1.1774 -1.5098 PRESSURE: 1273600 304.354 -259.065 -168.997 -259.065 -2.98576 74.0729 -168.997 74.0735 398.88 GPRESSURE: 1273600 328.725 -262.37 -126.97 -272.436 90.2092 22.1712 -156.256 175.114 368.467 PRESSAVG: 1273600 -29.7325 21.895 24.2056 21.8949 27.8193 37.7003 24.2057 37.7003 8.56699 GPRESSAVG: 1273600 -28.5013 20.1869 24.812 23.8688 27.76 38.2171 24.213 36.8972 7.96 TIMING: 1273600 CPU: 4025.16, 0.00317255/step Wall: 4025.16, 0.00317255/step, 3.28394 hours remaining, 233.082031 MB of memory in use. ENERGY: 1273600 4038.8426 20586.9539 14426.5748 244.9011 -203216.5712 2598.0643 0.0000 0.0000 52115.1168 -109206.1177 299.5063 -161321.2345 -108847.9673 299.3488 233.4160 262.4672 761910.9608 2.2179 2.4062 PRESSURE: 1273800 -2.42131 -58.4008 59.9337 -58.4004 191.497 234.836 59.9331 234.835 232.522 GPRESSURE: 1273800 121.382 11.688 28.713 4.73815 129.818 278.52 74.3069 112.819 255.884 PRESSAVG: 1273800 -43.4689 25.6381 41.1985 25.6381 -3.60041 10.285 41.1985 10.285 2.34983 GPRESSAVG: 1273800 -44.1704 26.0562 41.6387 25.3251 -3.36578 9.31961 40.6842 11.7948 2.41857 TIMING: 1273800 CPU: 4025.8, 0.00317175/step Wall: 4025.8, 0.00317175/step, 3.28293 hours remaining, 233.070312 MB of memory in use. ENERGY: 1273800 3946.1201 20617.2553 14480.0209 262.8375 -203011.7857 2563.0016 0.0000 0.0000 51995.7478 -109146.8025 298.8203 -161142.5502 -108788.0760 299.3978 140.5327 169.0281 761640.3691 -14.9065 -15.0392 PRESSURE: 1274000 -315.492 -163.482 216.858 -163.481 -176.92 135.619 216.858 135.619 65.6838 GPRESSURE: 1274000 -331.804 8.17072 171.675 -175.666 -55.5172 31.2368 184.916 193.826 69.9231 PRESSAVG: 1274000 -58.0065 28.9259 49.6334 28.9259 40.6971 -21.5547 49.6334 -21.5547 17.7195 GPRESSAVG: 1274000 -58.9164 29.4155 48.5913 28.5347 42.0145 -21.7913 52.8693 -21.056 17.8857 TIMING: 1274000 CPU: 4026.43, 0.00316885/step Wall: 4026.43, 0.00316885/step, 3.27976 hours remaining, 233.082031 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: 1274000 4002.0047 20550.2826 14471.4767 241.9371 -202988.7067 2565.5962 0.0000 0.0000 51924.1763 -109233.2330 298.4090 -161157.4094 -108868.1788 299.3091 -142.2427 -105.7993 761537.2418 0.1367 0.3279 PRESSURE: 1274200 74.2831 -124.2 -88.286 -124.2 236.06 197.788 -88.2871 197.788 14.7848 GPRESSURE: 1274200 182.445 -53.6328 -60.764 -109.098 226.06 273.796 -59.8993 86.8781 -2.40145 PRESSAVG: 1274200 -8.35097 1.55424 -48.437 1.55423 34.2038 28.162 -48.4371 28.1621 3.88201 GPRESSAVG: 1274200 -8.39209 3.31323 -46.9199 0.738026 34.087 30.2233 -51.3435 27.2971 4.41467 TIMING: 1274200 CPU: 4027.07, 0.00318457/step Wall: 4027.07, 0.00318457/step, 3.29585 hours remaining, 233.082031 MB of memory in use. ENERGY: 1274200 3928.2426 20741.7964 14450.0401 256.5510 -202987.6138 2344.0531 0.0000 0.0000 51961.7073 -109305.2233 298.6246 -161266.9306 -108948.1631 299.3128 108.3760 135.3679 761948.3716 9.9116 10.0365 PRESSURE: 1274400 104.015 -37.2405 -118.929 -37.2408 -116.068 -97.938 -118.929 -97.9372 -327.107 GPRESSURE: 1274400 183.987 -76.5189 -79.3917 -41.5221 -105.707 29.9085 -271.763 -66.6246 -354.102 PRESSAVG: 1274400 -21.8274 15.9812 46.1524 15.9812 40.4004 29.3276 46.1523 29.3277 -6.02777 GPRESSAVG: 1274400 -22.3735 12.7664 45.944 17.1924 40.8194 28.4951 46.477 27.4958 -5.3111 TIMING: 1274400 CPU: 4027.7, 0.00316368/step Wall: 4027.7, 0.00316368/step, 3.27405 hours remaining, 233.082031 MB of memory in use. ENERGY: 1274400 4008.4332 20650.6393 14449.2474 230.2918 -203202.7244 2593.3340 0.0000 0.0000 52066.3087 -109204.4699 299.2258 -161270.7787 -108843.1459 299.7083 -113.0534 -91.9407 760817.2952 4.1818 4.3783 PRESSURE: 1274600 -156.664 38.2758 171.426 38.2762 90.8264 -49.44 171.427 -49.4395 160.882 GPRESSURE: 1274600 -32.7723 -36.2293 231.392 -13.0059 66.2942 -71.2436 170.782 -54.2946 160.659 PRESSAVG: 1274600 -25.6189 -16.3337 17.7384 -16.3337 13.6426 -39.3929 17.7384 -39.3929 -14.6128 GPRESSAVG: 1274600 -23.5423 -16.1774 17.2071 -17.3775 12.4232 -38.0045 17.0427 -40.604 -15.7942 TIMING: 1274600 CPU: 4028.34, 0.00318805/step Wall: 4028.34, 0.00318805/step, 3.2991 hours remaining, 233.082031 MB of memory in use. ENERGY: 1274600 3936.1475 20435.5720 14485.8363 238.5813 -203420.5695 2768.1706 0.0000 0.0000 52414.7906 -109141.4711 301.2285 -161556.2617 -108774.6045 299.5018 31.6816 64.7269 762386.7116 -8.8630 -8.9711 PRESSURE: 1274800 -309.729 -185.852 -65.9317 -185.852 -151.384 -9.353 -65.9315 -9.35165 -208.53 GPRESSURE: 1274800 -267.444 -138.967 -18.5782 -206.509 -151.016 40.3633 64.2531 -72.3116 -144.261 PRESSAVG: 1274800 -37.831 -15.7583 -5.51266 -15.7582 74.9857 -26.8253 -5.51261 -26.8253 12.4529 GPRESSAVG: 1274800 -38.2921 -14.8391 -5.51621 -15.2507 74.0423 -27.3321 -5.15866 -23.4383 13.2194 TIMING: 1274800 CPU: 4028.97, 0.0031814/step Wall: 4028.97, 0.0031814/step, 3.29204 hours remaining, 233.082031 MB of memory in use. ENERGY: 1274800 4000.4863 20566.5755 14497.1173 227.0022 -203165.6487 2452.7933 0.0000 0.0000 52168.6779 -109252.9960 299.8141 -161421.6740 -108888.9400 300.0511 -223.2144 -187.5735 761759.8312 16.5359 16.3232 PRESSURE: 1275000 45.2216 -6.49804 220.535 -6.49848 109.031 -19.1998 220.536 -19.1991 -186.943 GPRESSURE: 1275000 72.2817 13.3066 308.583 -60.6689 120.226 -28.1323 211.348 -39.7461 -123.532 PRESSAVG: 1275000 -68.6681 30.7067 30.9053 30.7067 93.599 6.66766 30.9053 6.66766 -29.4045 GPRESSAVG: 1275000 -68.6526 29.7633 31.3211 30.5374 93.9684 3.72435 32.8282 6.75047 -29.8603 TIMING: 1275000 CPU: 4029.61, 0.00318536/step Wall: 4029.61, 0.00318536/step, 3.29596 hours remaining, 233.082031 MB of memory in use. ENERGY: 1275000 4001.6548 20613.7284 14452.8675 240.2311 -203170.6488 2434.4132 0.0000 0.0000 52287.8208 -109139.9330 300.4988 -161427.7539 -108769.8915 300.1019 -10.8968 22.9918 761157.1403 -1.4912 -1.5148 PRESSURE: 1275200 -128.931 -64.3483 333.296 -64.3481 -115.479 71.7429 333.296 71.7429 -160.501 GPRESSURE: 1275200 -71.0697 -33.0612 387.331 -40.0985 -133.729 130.947 219.158 2.10516 -115.853 PRESSAVG: 1275200 -10.1044 33.9619 17.3846 33.9619 20.7508 -36.8576 17.3847 -36.8576 -30.1308 GPRESSAVG: 1275200 -9.07881 34.4118 15.4824 33.7232 20.6318 -33.3407 15.93 -39.7784 -31.0292 TIMING: 1275200 CPU: 4030.25, 0.0031967/step Wall: 4030.25, 0.0031967/step, 3.30752 hours remaining, 233.082031 MB of memory in use. ENERGY: 1275200 4090.2435 20648.2395 14491.9504 240.2505 -203213.2460 2537.0201 0.0000 0.0000 51997.0349 -109208.5072 298.8277 -161205.5421 -108863.1191 299.3018 -134.9704 -106.8838 762393.1402 -6.4948 -6.4921 PRESSURE: 1275400 -582.394 67.0175 61.9074 67.0185 9.47446 281.321 61.907 281.322 -84.384 GPRESSURE: 1275400 -491.448 88.6091 96.9738 102.183 14.925 282.893 198.326 240.578 -99.5034 PRESSAVG: 1275400 -66.2155 -3.32453 28.302 -3.32444 54.4362 -35.4294 28.302 -35.4294 3.48337 GPRESSAVG: 1275400 -68.0975 -2.61446 29.633 -1.03396 55.3449 -35.7299 30.4437 -35.1319 4.48329 TIMING: 1275400 CPU: 4030.89, 0.00318089/step Wall: 4030.89, 0.00318089/step, 3.29098 hours remaining, 233.082031 MB of memory in use. ENERGY: 1275400 3972.3406 20601.0916 14507.4038 227.4662 -203067.1106 2382.2488 0.0000 0.0000 52005.6143 -109370.9453 298.8770 -161376.5597 -109000.2421 299.2532 -219.1011 -192.0088 764412.8563 -2.7653 -2.7564 PRESSURE: 1275600 15.3482 157.029 -95.2706 157.029 276.247 -207.904 -95.2707 -207.905 17.8198 GPRESSURE: 1275600 -21.1692 57.9307 -142.57 94.3285 374.798 -237.785 -74.5673 -185.768 38.7907 PRESSAVG: 1275600 -61.1772 -11.4943 -27.6614 -11.4943 43.5596 -0.7768 -27.6613 -0.776905 -2.85586 GPRESSAVG: 1275600 -59.6496 -12.3472 -27.8374 -12.4377 43.2837 -1.14625 -29.0232 0.0767326 -3.31588 TIMING: 1275600 CPU: 4031.52, 0.00316265/step Wall: 4031.52, 0.00316265/step, 3.27194 hours remaining, 233.082031 MB of memory in use. ENERGY: 1275600 3983.9226 20738.2101 14383.9315 244.8169 -203538.2723 2872.0447 0.0000 0.0000 52006.8837 -109308.4627 298.8843 -161315.3464 -108937.2550 298.8573 103.1384 130.8063 763698.0003 -6.8245 -6.5606 PRESSURE: 1275800 -170.824 -78.2257 -33.805 -78.2256 239.429 70.5444 -33.8062 70.5437 167.089 GPRESSURE: 1275800 -229.117 -98.6331 -10.5373 -30.9159 307.093 55.2244 -92.7278 69.9929 238.919 PRESSAVG: 1275800 -10.4963 26.4043 -23.1636 26.4043 37.3691 -20.1734 -23.1636 -20.1733 -7.01755 GPRESSAVG: 1275800 -12.9475 27.4215 -21.5842 27.2385 38.2051 -20.7501 -25.4848 -20.2745 -5.34608 TIMING: 1275800 CPU: 4032.15, 0.00317212/step Wall: 4032.15, 0.00317213/step, 3.28156 hours remaining, 233.082031 MB of memory in use. ENERGY: 1275800 3983.4735 20550.8033 14418.9647 237.0096 -203288.6934 2597.6673 0.0000 0.0000 52126.9489 -109373.8260 299.5743 -161500.7749 -109007.2581 299.1609 78.5646 105.6318 762975.5443 6.6184 6.6372 PRESSURE: 1276000 -3.12849 -40.9592 62.1541 -40.9592 430.696 248.085 62.1531 248.085 108.68 GPRESSURE: 1276000 102.757 -89.8817 33.2263 -74.047 456.59 181.108 5.60958 182.044 83.6837 PRESSAVG: 1276000 -11.7554 10.754 43.4626 10.754 5.62208 -45.4474 43.4626 -45.4473 18.5084 GPRESSAVG: 1276000 -11.0589 9.51479 40.3317 10.3397 5.97038 -46.0676 44.6326 -45.8071 17.7916 TIMING: 1276000 CPU: 4032.79, 0.00320129/step Wall: 4032.79, 0.00320129/step, 3.31156 hours remaining, 233.082031 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: 1276000 3988.0272 20452.1754 14539.2871 263.1629 -203906.3999 3003.3128 0.0000 0.0000 52379.6163 -109280.8183 301.0264 -161660.4346 -108922.5533 299.0730 178.7493 214.3436 761463.2815 4.1250 4.2344 PRESSURE: 1276200 158.867 42.3429 -102.355 42.3429 178.606 18.1787 -102.355 18.1789 283.001 GPRESSURE: 1276200 172.155 112.498 -47.9197 140.233 172.918 48.289 -181.913 -28.0987 378.812 PRESSAVG: 1276200 -2.33691 53.0988 -39.1295 53.0988 28.453 -23.8123 -39.1294 -23.8123 14.0145 GPRESSAVG: 1276200 -1.79966 54.3874 -36.5746 53.5049 27.4839 -22.8228 -38.4795 -22.8456 14.0535 TIMING: 1276200 CPU: 4033.43, 0.00318648/step Wall: 4033.43, 0.00318648/step, 3.29605 hours remaining, 233.082031 MB of memory in use. ENERGY: 1276200 3911.3748 20646.4453 14471.2716 250.5466 -203686.0722 2988.0690 0.0000 0.0000 52142.4648 -109275.9000 299.6635 -161418.3648 -108909.7032 299.3535 206.8246 241.2950 764221.5911 13.3769 13.2459 LDB: ============= START OF LOAD BALANCING ============== 4045.97 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4045.97 LDB: =============== DONE WITH MIGRATION ================ 4045.97 LDB: ============= START OF LOAD BALANCING ============== 4046.29 LDB: Largest compute 7060 load 0.033668 is 17.2% of average load 0.195476 LDB: Average compute 0.004408 is 2.3% of average load 0.195476 LDB: TIME 4046.29 LOAD: AVG 0.195476 MAX 0.213293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.137 MB LDB: TIME 4046.29 LOAD: AVG 0.195476 MAX 0.213293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.141 MB LDB: TIME 4046.29 LOAD: AVG 0.195476 MAX 0.213293 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.141 MB LDB: ============== END OF LOAD BALANCING =============== 4046.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4046.3 PRESSURE: 1276400 -205.967 -145.577 -22.78 -145.577 -89.2626 -69.2738 -22.7797 -69.2733 54.3057 GPRESSURE: 1276400 -244.8 -165.149 -23.7962 -96.3571 -37.2787 -26.8897 -80.5492 -144.027 116.354 PRESSAVG: 1276400 22.1868 5.55155 -46.7965 5.55154 -21.9778 -3.82546 -46.7964 -3.82553 2.6467 GPRESSAVG: 1276400 22.7493 4.76973 -45.4048 4.46702 -21.7224 -3.07501 -47.1956 -2.07088 2.04516 TIMING: 1276400 CPU: 4034.08, 0.00326059/step Wall: 4034.08, 0.00326059/step, 3.37254 hours remaining, 232.878906 MB of memory in use. ENERGY: 1276400 4012.0843 20750.9830 14534.8142 262.5039 -202686.6069 2290.0382 0.0000 0.0000 51722.5123 -109113.6710 297.2500 -160836.1833 -108764.3680 299.0127 -80.3080 -55.2415 763023.0986 0.9519 1.0240 PRESSURE: 1276600 196.247 -108.877 -38.9594 -108.877 -186.567 252.736 -38.9598 252.735 -23.993 GPRESSURE: 1276600 210.689 -160.408 -19.3961 -157.256 -104.909 159.552 -23.2416 299.3 -35.0461 PRESSAVG: 1276600 30.0229 31.0354 -21.8668 31.0354 -22.3271 -6.99988 -21.8668 -6.99985 0.88449 GPRESSAVG: 1276600 29.8812 30.1063 -22.9403 32.039 -22.4466 -9.46651 -22.0779 -8.74396 1.61717 TIMING: 1276600 CPU: 4034.72, 0.0031702/step Wall: 4034.72, 0.0031702/step, 3.27887 hours remaining, 232.878906 MB of memory in use. ENERGY: 1276600 4017.2048 20694.1197 14569.3559 251.0060 -203658.2687 2936.9951 0.0000 0.0000 52217.6660 -108971.9212 300.0956 -161189.5872 -108604.6887 299.8760 -4.7709 23.5779 762928.8454 2.8601 3.0173 PRESSURE: 1276800 -356.155 -9.97322 -55.1652 -9.97338 -95.0797 -106.995 -55.1646 -106.994 71.0379 GPRESSURE: 1276800 -285.884 67.2143 45.4698 56.2852 -128.672 -111.531 -17.6145 -82.62 98.2704 PRESSAVG: 1276800 0.721408 -38.6934 -1.84651 -38.6933 44.2557 -2.29702 -1.84652 -2.29708 26.247 GPRESSAVG: 1276800 0.311212 -37.6935 -4.00153 -38.8359 45.8045 -0.00653314 -0.200531 -1.37387 25.4129 TIMING: 1276800 CPU: 4035.35, 0.00318066/step Wall: 4035.35, 0.00318066/step, 3.28951 hours remaining, 232.878906 MB of memory in use. ENERGY: 1276800 4045.6314 20603.0578 14455.1956 268.2719 -203345.8461 2863.8901 0.0000 0.0000 52082.2689 -109027.5304 299.3175 -161109.7993 -108647.2627 300.1070 -126.7322 -105.4285 763215.4977 23.7414 23.8429 PRESSURE: 1277000 -387.603 50.9654 162.866 50.9656 -462.511 -109.588 162.866 -109.589 -334.485 GPRESSURE: 1277000 -332.752 58.8056 143.958 -6.40635 -468.1 -76.6809 197.67 -108.582 -298.647 PRESSAVG: 1277000 14.4581 3.03357 18.238 3.0336 -0.47942 -51.5119 18.2379 -51.5119 -24.4914 GPRESSAVG: 1277000 16.2784 6.07927 18.8747 1.88481 -2.68786 -50.1686 18.9067 -53.4072 -24.1047 TIMING: 1277000 CPU: 4035.99, 0.00319015/step Wall: 4035.99, 0.00319015/step, 3.29914 hours remaining, 232.878906 MB of memory in use. ENERGY: 1277000 4052.8585 20527.8430 14480.1577 247.7164 -203256.4583 2479.3488 0.0000 0.0000 52171.8068 -109296.7272 299.8321 -161468.5339 -108936.2346 299.6204 -394.8662 -366.4997 762580.7285 -3.5042 -3.5047 PRESSURE: 1277200 240.997 -229.171 5.75561 -229.171 0.469733 -53.7952 5.75683 -53.794 161.939 GPRESSURE: 1277200 107.349 -94.2016 -61.1164 -214.035 129.396 -130.413 39.1063 -18.4566 270.522 PRESSAVG: 1277200 -23.2825 8.13748 6.00684 8.13752 -16.759 -34.7145 6.00685 -34.7144 7.38749 GPRESSAVG: 1277200 -24.0472 5.82137 6.16556 11.4938 -15.5855 -34.974 3.63486 -35.8149 7.35004 TIMING: 1277200 CPU: 4036.63, 0.00317013/step Wall: 4036.63, 0.00317013/step, 3.27827 hours remaining, 233.082031 MB of memory in use. ENERGY: 1277200 4059.6765 20602.7213 14546.8575 247.8752 -203662.1493 2947.4400 0.0000 0.0000 52138.7407 -109118.8382 299.6421 -161257.5789 -108754.1817 299.5138 134.4687 169.0891 762573.9809 -10.8847 -10.7609 PRESSURE: 1277400 401.694 -21.3195 109.939 -21.3191 -62.1784 -22.1853 109.939 -22.1863 523.433 GPRESSURE: 1277400 423.537 -43.5138 126.937 -8.11567 -32.8445 40.876 -48.7701 83.6802 542.842 PRESSAVG: 1277400 11.546 0.591093 35.0538 0.591063 19.307 10.984 35.0538 10.9841 -22.1013 GPRESSAVG: 1277400 11.8679 1.33971 34.4754 -1.70204 19.5579 10.0199 35.0886 14.5683 -22.5924 TIMING: 1277400 CPU: 4037.26, 0.00315839/step Wall: 4037.26, 0.00315839/step, 3.26595 hours remaining, 233.082031 MB of memory in use. ENERGY: 1277400 3963.7441 20580.1359 14461.2764 247.6950 -203348.6878 2783.2297 0.0000 0.0000 52236.1621 -109076.4445 300.2019 -161312.6066 -108710.5042 299.6540 287.6494 311.1782 760681.0012 2.9172 2.9445 PRESSURE: 1277600 -45.0892 -84.2949 47.1881 -84.2945 -186.851 -184.553 47.187 -184.554 -151.11 GPRESSURE: 1277600 -68.5233 -69.8974 97.876 -20.0703 -137.496 -128.761 42.1929 -180.755 -98.2318 PRESSAVG: 1277600 -26.3726 -9.45802 -75.6433 -9.45803 -9.59869 25.9151 -75.6432 25.9151 -7.72506 GPRESSAVG: 1277600 -27.0563 -9.69034 -74.3689 -7.98871 -9.24874 25.9065 -76.0664 25.8649 -7.0714 TIMING: 1277600 CPU: 4037.89, 0.00314343/step Wall: 4037.89, 0.00314343/step, 3.2503 hours remaining, 233.082031 MB of memory in use. ENERGY: 1277600 3988.6327 20740.4379 14513.0242 236.0965 -202862.6193 2353.4447 0.0000 0.0000 51881.1405 -109149.8427 298.1616 -161030.9832 -108789.2655 299.7035 -127.6833 -101.4171 762512.8360 -14.5655 -14.4588 PRESSURE: 1277800 253.589 142.032 28.4414 142.032 16.5531 111.263 28.4423 111.261 216.96 GPRESSURE: 1277800 295.524 59.527 109.453 95.8438 111.858 -22.0024 -104.624 -25.1457 172.148 PRESSAVG: 1277800 39.4269 7.09821 -36.3335 7.09825 -28.7736 47.2981 -36.3336 47.2981 -1.59043 GPRESSAVG: 1277800 39.0879 6.31012 -37.0101 6.37115 -28.8507 47.6493 -35.5383 46.0942 -1.49179 TIMING: 1277800 CPU: 4038.52, 0.00316478/step Wall: 4038.52, 0.00316478/step, 3.2722 hours remaining, 233.082031 MB of memory in use. ENERGY: 1277800 3952.5590 20784.6453 14435.4993 250.5760 -203523.9719 2879.8905 0.0000 0.0000 52069.4740 -109151.3278 299.2440 -161220.8018 -108789.6874 299.6920 162.3674 193.1767 760216.8729 3.0209 2.9151 PRESSURE: 1278000 -226.065 60.7118 -95.402 60.7114 385.595 -44.1625 -95.4021 -44.1629 271.057 GPRESSURE: 1278000 -170.31 25.6547 -91.9715 179.265 454.62 9.96781 1.7673 48.2823 256.643 PRESSAVG: 1278000 -13.5069 -35.8483 -35.8932 -35.8483 25.6373 1.83032 -35.8932 1.83039 3.55263 GPRESSAVG: 1278000 -11.7688 -35.8736 -38.1244 -34.7539 25.062 1.26281 -35.4836 0.747907 2.49715 TIMING: 1278000 CPU: 4039.15, 0.00317173/step Wall: 4039.15, 0.00317173/step, 3.27921 hours remaining, 233.082031 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: 1278000 3973.5588 20649.6100 14478.7999 235.2177 -203181.2950 2791.6677 0.0000 0.0000 52114.5267 -108937.9142 299.5029 -161052.4410 -108566.9417 300.1787 143.5290 180.3176 762984.7555 5.2277 5.2634 PRESSURE: 1278200 305.626 163.087 133.628 163.087 244.395 216.599 133.626 216.599 -80.8238 GPRESSURE: 1278200 304.381 85.5497 201.066 20.6943 242.314 228.798 76.3669 185.769 -10.2678 PRESSAVG: 1278200 -42.3294 31.5564 -10.7279 31.5564 11.3647 -52.8307 -10.7278 -52.8307 -5.79352 GPRESSAVG: 1278200 -42.068 32.4088 -8.24564 28.3683 11.7093 -53.7694 -11.6609 -50.6451 -6.6418 TIMING: 1278200 CPU: 4039.79, 0.00318714/step Wall: 4039.79, 0.00318714/step, 3.29497 hours remaining, 233.082031 MB of memory in use. ENERGY: 1278200 3932.4532 20587.0435 14525.6528 255.7958 -203220.7076 2875.8578 0.0000 0.0000 52278.8930 -108765.0115 300.4475 -161043.9045 -108399.8898 299.7268 156.3990 178.8090 761449.1872 -12.2528 -12.3335 PRESSURE: 1278400 -135.608 -56.5988 22.7834 -56.5985 -193 143.26 22.7831 143.261 -183.047 GPRESSURE: 1278400 -97.4594 -113.485 55.0635 -48.779 -152.613 120.279 41.6748 62.5063 -171.536 PRESSAVG: 1278400 -24.8267 -17.7884 -47.723 -17.7884 48.9291 26.2576 -47.7231 26.2576 8.41485 GPRESSAVG: 1278400 -25.3425 -18.8242 -49.0775 -17.619 47.5091 28.053 -48.4687 22.75 10.6349 TIMING: 1278400 CPU: 4040.42, 0.0031714/step Wall: 4040.42, 0.0031714/step, 3.27852 hours remaining, 233.082031 MB of memory in use. ENERGY: 1278400 4024.8378 20546.4169 14495.2441 253.3406 -202768.9526 2574.4117 0.0000 0.0000 52190.5807 -108684.1208 299.9400 -160874.7015 -108327.8591 300.3885 -170.5516 -140.5360 764132.5335 10.8391 10.9338 PRESSURE: 1278600 110.992 -113.064 -254.063 -113.063 151.053 -23.297 -254.063 -23.2971 208.451 GPRESSURE: 1278600 105.73 -59.9184 -262.558 12.339 172.125 14.8958 -275.736 -101.649 274.974 PRESSAVG: 1278600 -10.6919 -28.6509 -31.2171 -28.6509 -20.488 -0.0471773 -31.2171 -0.0471764 -4.60098 GPRESSAVG: 1278600 -8.6886 -28.7841 -29.7408 -27.273 -20.7636 -1.18365 -32.1068 4.15871 -5.62291 TIMING: 1278600 CPU: 4041.06, 0.00316168/step Wall: 4041.06, 0.00316168/step, 3.2683 hours remaining, 233.082031 MB of memory in use. ENERGY: 1278600 3995.8136 20545.2856 14490.6407 217.8992 -203085.6579 2712.5537 0.0000 0.0000 52210.2296 -108913.2355 300.0529 -161123.4651 -108543.0591 300.5854 156.8321 184.2764 763259.1296 -11.9270 -11.6917 PRESSURE: 1278800 79.2628 42.7799 -4.53617 42.7795 192.243 259.898 -4.53553 259.898 635.449 GPRESSURE: 1278800 117.059 19.4672 -49.0249 14.9649 206.582 386.011 140.247 159.47 663.215 PRESSAVG: 1278800 -63.2947 -53.7294 -19.6192 -53.7294 25.1162 -8.48365 -19.6192 -8.48359 28.4447 GPRESSAVG: 1278800 -64.9965 -52.5167 -19.3261 -53.88 26.6834 -8.07537 -19.4195 -11.6605 28.4016 TIMING: 1278800 CPU: 4041.69, 0.00316513/step Wall: 4041.69, 0.00316513/step, 3.27169 hours remaining, 233.082031 MB of memory in use. ENERGY: 1278800 3947.3282 20623.8163 14516.2646 241.2754 -203336.9342 2836.1714 0.0000 0.0000 52141.3976 -109030.6808 299.6573 -161172.0784 -108665.9961 300.1493 302.3184 328.9520 762946.0525 -3.2446 -3.3038 PRESSURE: 1279000 -177.133 315.724 -221.625 315.724 44.0211 27.4447 -221.626 27.4458 230.265 GPRESSURE: 1279000 -71.6433 126.642 -204.602 341.965 18.9468 82.4205 -216.585 -26.4341 227.3 PRESSAVG: 1279000 -10.4307 16.0313 5.38709 16.0313 23.2574 28.221 5.3871 28.2209 -11.6731 GPRESSAVG: 1279000 -10.5982 13.8537 4.26277 15.8132 22.596 28.2403 7.17631 28.5063 -10.7552 TIMING: 1279000 CPU: 4042.32, 0.00315734/step Wall: 4042.32, 0.00315734/step, 3.26347 hours remaining, 233.082031 MB of memory in use. ENERGY: 1279000 3961.8048 20523.6435 14521.7609 253.4627 -202997.4793 2753.1406 0.0000 0.0000 52101.3987 -108882.2681 299.4275 -160983.6668 -108524.2971 299.7557 32.3844 58.2013 764338.5004 0.3846 0.4142 PRESSURE: 1279200 -360.934 -80.9356 -119.725 -80.936 -103.635 90.7167 -119.725 90.7161 -61.5938 GPRESSURE: 1279200 -227.709 4.15666 -123.581 -75.3178 -125.05 48.4798 -54.8984 206.567 -83.9957 PRESSAVG: 1279200 14.3036 -31.5424 -26.7447 -31.5424 -2.56729 8.07377 -26.7447 8.07371 7.35905 GPRESSAVG: 1279200 15.3647 -30.6314 -25.9972 -32.1155 -4.03015 8.82799 -28.3598 9.94778 7.47495 TIMING: 1279200 CPU: 4042.96, 0.0031715/step Wall: 4042.96, 0.0031715/step, 3.27792 hours remaining, 233.082031 MB of memory in use. ENERGY: 1279200 4017.5101 20573.4068 14470.4491 247.0329 -203065.3597 2759.0899 0.0000 0.0000 52081.0559 -108916.8150 299.3105 -160997.8709 -108566.6677 299.7080 -175.3878 -145.5848 764034.8332 6.3651 6.2698 PRESSURE: 1279400 -422.973 194.674 -191.361 194.673 -503.8 -121.05 -191.361 -121.05 -248.86 GPRESSURE: 1279400 -400.729 264.692 -127.553 139.847 -464.605 -133.521 -104.22 -63.9442 -244.517 PRESSAVG: 1279400 1.02692 -19.6553 4.21504 -19.6553 18.9766 22.908 4.21505 22.908 -10.8853 GPRESSAVG: 1279400 0.882934 -18.9806 3.46702 -20.2813 19.2109 23.2059 4.32529 23.4559 -11.64 TIMING: 1279400 CPU: 4043.59, 0.00315471/step Wall: 4043.59, 0.00315471/step, 3.26039 hours remaining, 233.082031 MB of memory in use. ENERGY: 1279400 3975.4188 20607.4892 14457.9220 263.2077 -202632.7912 2239.6768 0.0000 0.0000 52007.0137 -109082.0630 298.8850 -161089.0767 -108711.6816 299.7301 -391.8780 -369.9507 763424.9453 3.0394 2.8180 PRESSURE: 1279600 0.96214 112.532 -45.9849 112.532 121 12.8449 -45.9858 12.8448 40.8486 GPRESSURE: 1279600 15.512 127.843 4.09691 126.238 85.6541 -71.3499 -80.9909 47.4077 157.399 PRESSAVG: 1279600 6.00471 12.2045 -56.7598 12.2045 16.343 23.6421 -56.7598 23.6421 18.4099 GPRESSAVG: 1279600 5.48658 12.6956 -56.8513 12.7444 16.8686 21.4527 -55.2544 21.5562 18.3937 TIMING: 1279600 CPU: 4044.22, 0.00315485/step Wall: 4044.22, 0.00315485/step, 3.26036 hours remaining, 233.082031 MB of memory in use. ENERGY: 1279600 4031.8089 20571.8410 14462.7134 270.6730 -203186.0514 2702.4999 0.0000 0.0000 51917.2232 -109229.2920 298.3690 -161146.5152 -108879.7573 299.0798 54.2702 86.1885 761132.5165 13.5859 13.5830 PRESSURE: 1279800 -108.996 88.3164 196.749 88.3142 9.22696 30.8467 196.749 30.8473 -254.937 GPRESSURE: 1279800 -63.1656 -11.9182 180.605 76.7483 -4.06573 50.3165 105.657 -33.6457 -212.209 PRESSAVG: 1279800 -4.48668 -47.1106 -16.9941 -47.1106 31.8261 -2.54129 -16.9941 -2.5412 10.5736 GPRESSAVG: 1279800 -3.17563 -48.3487 -16.3165 -45.3405 30.9398 -2.63368 -17.8285 -2.89593 10.2458 TIMING: 1279800 CPU: 4044.85, 0.00314752/step Wall: 4044.85, 0.00314752/step, 3.25262 hours remaining, 233.082031 MB of memory in use. ENERGY: 1279800 3962.0504 20522.0180 14446.9222 229.7703 -203080.5842 2489.7671 0.0000 0.0000 52198.7454 -109231.3107 299.9869 -161430.0562 -108864.1829 298.9888 -118.2355 -93.1466 761585.9674 12.6377 12.6700 PRESSURE: 1280000 -219.924 149.464 -76.0745 149.463 -153.735 234.179 -76.0744 234.181 -231.588 GPRESSURE: 1280000 -224.402 94.7924 -119.303 181.553 -63.0534 221.492 -62.2811 116.946 -239.632 PRESSAVG: 1280000 26.591 15.0194 -21.2268 15.0194 -7.16483 3.44256 -21.2268 3.44261 -12.6573 GPRESSAVG: 1280000 25.0418 14.8297 -22.1416 12.896 -4.85014 3.781 -20.5289 6.5291 -13.5239 TIMING: 1280000 CPU: 4045.48, 0.00315448/step Wall: 4045.48, 0.00315448/step, 3.25963 hours remaining, 233.082031 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: 1280000 3995.7946 20472.3962 14462.4970 224.0867 -203080.2995 2523.0756 0.0000 0.0000 51995.9684 -109406.4810 298.8215 -161402.4494 -109045.3761 298.8747 -201.7490 -175.6958 763193.1155 2.2563 2.2226 PRESSURE: 1280200 -39.762 99.0225 -50.4464 99.0233 -268.187 -69.7061 -50.446 -69.7058 202.742 GPRESSURE: 1280200 16.203 105.19 -63.3125 23.2904 -149.127 -39.3176 -98.5676 -78.15 117.18 PRESSAVG: 1280200 25.0965 -20.2524 6.61281 -20.2525 -41.4741 40.3119 6.61275 40.312 -18.0342 GPRESSAVG: 1280200 25.8163 -18.4447 8.17535 -21.9864 -43.2348 41.5264 5.71103 37.9036 -16.8919 TIMING: 1280200 CPU: 4046.11, 0.00315664/step Wall: 4046.11, 0.00315664/step, 3.26169 hours remaining, 233.082031 MB of memory in use. ENERGY: 1280200 3946.7633 20459.0797 14501.7919 250.5010 -203059.9491 2574.3057 0.0000 0.0000 51959.6677 -109367.8399 298.6129 -161327.5076 -109007.9570 298.7776 -35.0689 -5.2479 763549.3649 -11.4706 -11.4368 LDB: ============= START OF LOAD BALANCING ============== 4058.64 LDB: ============== END OF LOAD BALANCING =============== 4058.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4058.64 LDB: ============= START OF LOAD BALANCING ============== 4058.96 LDB: Largest compute 7060 load 0.032117 is 16.4% of average load 0.195437 LDB: Average compute 0.004390 is 2.2% of average load 0.195437 LDB: TIME 4058.96 LOAD: AVG 0.195437 MAX 0.213848 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.91 MB LDB: TIME 4058.96 LOAD: AVG 0.195437 MAX 0.213848 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.98 MB LDB: TIME 4058.97 LOAD: AVG 0.195437 MAX 0.213848 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.98 MB LDB: ============== END OF LOAD BALANCING =============== 4058.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4058.97 PRESSURE: 1280400 214.892 23.4789 -247.818 23.4788 19.7829 200.444 -247.817 200.445 -303.594 GPRESSURE: 1280400 160.113 -21.3834 -276.503 -24.7374 54.1366 188.035 -284.12 220.956 -203.867 PRESSAVG: 1280400 38.1765 -0.272496 4.60941 -0.272512 -20.1951 -7.75988 4.60945 -7.75987 -4.21274 GPRESSAVG: 1280400 38.4192 -1.27082 2.83958 -0.813106 -19.487 -7.92416 4.05104 -6.21 -5.30812 TIMING: 1280400 CPU: 4046.76, 0.00322897/step Wall: 4046.76, 0.00322897/step, 3.33624 hours remaining, 234.417969 MB of memory in use. ENERGY: 1280400 3966.0280 20480.9532 14482.6380 256.4225 -203575.5450 2888.7365 0.0000 0.0000 51931.8543 -109568.9126 298.4531 -161500.7669 -109213.5441 298.6009 -22.9732 3.4610 762209.0749 4.5895 4.5413 PRESSURE: 1280600 -49.0472 -157.781 -230.827 -157.78 -28.5587 -90.4667 -230.827 -90.4674 -13.4391 GPRESSURE: 1280600 57.7875 -168.086 -157.337 -63.2563 -59.6042 -36.8812 -24.7782 -43.3817 -8.75463 PRESSAVG: 1280600 -27.4586 16.7672 4.57609 16.7672 -4.64764 43.0733 4.57611 43.0734 10.8636 GPRESSAVG: 1280600 -27.6957 17.2775 6.23128 17.4918 -5.59074 41.4476 5.12681 42.1126 12.0073 TIMING: 1280600 CPU: 4047.39, 0.00318022/step Wall: 4047.39, 0.00318022/step, 3.28569 hours remaining, 234.417969 MB of memory in use. ENERGY: 1280600 3912.9596 20486.9342 14386.5080 253.9609 -202797.3209 2292.0291 0.0000 0.0000 51882.8311 -109582.0981 298.1713 -161464.9291 -109218.5274 297.9085 -30.3483 -3.5238 762950.7806 -7.0809 -7.0931 PRESSURE: 1280800 69.0754 -155.149 83.8393 -155.149 72.8916 -39.4147 83.8392 -39.4143 36.1147 GPRESSURE: 1280800 163.316 -65.2335 56.6305 -41.2248 126.03 -43.0349 49.4153 30.1994 -28.9177 PRESSAVG: 1280800 -34.9543 35.0109 -3.52227 35.011 42.9946 -21.811 -3.52223 -21.8109 8.743 GPRESSAVG: 1280800 -34.0196 33.9801 -2.8397 38.4005 43.2102 -22.0546 -3.92143 -18.9213 7.96504 TIMING: 1280800 CPU: 4048.03, 0.00317893/step Wall: 4048.03, 0.00317893/step, 3.28418 hours remaining, 234.417969 MB of memory in use. ENERGY: 1280800 3962.8218 20546.2941 14485.4821 244.3950 -203319.9975 2524.0089 0.0000 0.0000 51824.0218 -109732.9739 297.8334 -161556.9957 -109365.8310 298.1364 59.3606 86.8096 762889.3333 5.5944 5.7185 PRESSURE: 1281000 277.043 78.8121 -36.3495 78.8115 -163.115 -26.4243 -36.348 -26.4247 7.24324 GPRESSURE: 1281000 271.048 114.458 53.5412 -22.1143 -34.0388 -3.99856 -161.332 -180.454 -27.4042 PRESSAVG: 1281000 -16.0445 37.8479 -4.50456 37.8479 20.2912 48.5519 -4.50448 48.5519 7.35389 GPRESSAVG: 1281000 -15.4601 37.9868 -7.31432 36.3071 21.6362 50.2255 -4.28256 47.6804 5.59442 TIMING: 1281000 CPU: 4048.66, 0.00318822/step Wall: 4048.66, 0.00318822/step, 3.29361 hours remaining, 234.417969 MB of memory in use. ENERGY: 1281000 4010.3078 20554.0714 14459.6096 257.3277 -203514.2921 2695.0599 0.0000 0.0000 51720.3439 -109817.5718 297.2375 -161537.9157 -109467.3946 297.8558 40.3905 69.8685 761241.7877 3.8669 3.9235 PRESSURE: 1281200 -80.8315 306.498 -35.0451 306.499 67.6766 -47.0409 -35.0458 -47.0401 -37.886 GPRESSURE: 1281200 -72.4212 289.96 9.95096 86.7044 67.4612 19.5254 -156.482 -65.1571 20.2173 PRESSAVG: 1281200 -27.6451 -32.405 78.7656 -32.405 -0.437346 9.95738 78.7656 9.9575 -1.81691 GPRESSAVG: 1281200 -27.8416 -31.0675 81.9646 -32.5018 -0.989414 10.8044 78.8315 8.43016 -1.09185 TIMING: 1281200 CPU: 4049.3, 0.00316414/step Wall: 4049.3, 0.00316414/step, 3.26856 hours remaining, 234.417969 MB of memory in use. ENERGY: 1281200 4038.8669 20574.3360 14387.6089 246.8775 -203578.0412 2727.0618 0.0000 0.0000 51740.3252 -109862.9649 297.3524 -161603.2902 -109506.1765 297.6424 -17.0136 5.0858 762322.5533 -9.9665 -9.9743 PRESSURE: 1281400 -294.898 -149.944 140.017 -149.944 371.255 -184.034 140.017 -184.033 -205.176 GPRESSURE: 1281400 -286.552 -35.039 163.229 -163.413 392.735 -167.218 -0.160085 -146.199 -136.673 PRESSAVG: 1281400 -24.5485 -12.8917 -3.0785 -12.8918 65.3852 -21.9106 -3.07852 -21.9107 19.1586 GPRESSAVG: 1281400 -26.0295 -13.6024 -4.82067 -12.7371 65.9394 -22.5666 -3.31658 -19.6321 20.2756 TIMING: 1281400 CPU: 4049.93, 0.00315973/step Wall: 4049.93, 0.00315974/step, 3.26383 hours remaining, 234.417969 MB of memory in use. ENERGY: 1281400 3959.9237 20587.6363 14533.6661 232.7268 -203841.3273 2746.4191 0.0000 0.0000 52072.4287 -109708.5267 299.2610 -161780.9554 -109353.8705 298.1759 -42.9396 -10.1631 762246.9668 19.9984 20.0619 PRESSURE: 1281600 113.3 -163.247 -123.577 -163.247 -590.541 -28.0844 -123.576 -28.0845 -432.882 GPRESSURE: 1281600 146.193 3.10798 -225.633 -5.23412 -572.977 21.2953 -66.3371 -29.4704 -393.588 PRESSAVG: 1281600 -24.261 -30.2769 -42.6621 -30.2769 44.8558 46.1001 -42.662 46.1001 -3.41308 GPRESSAVG: 1281600 -23.4502 -27.7868 -44.4507 -30.3309 44.6801 46.7028 -42.859 46.5564 -4.00573 TIMING: 1281600 CPU: 4050.56, 0.00313982/step Wall: 4050.56, 0.00313982/step, 3.24308 hours remaining, 234.417969 MB of memory in use. ENERGY: 1281600 4034.8409 20566.8583 14408.7110 241.5169 -203712.4202 2763.7085 0.0000 0.0000 51857.3278 -109839.4569 298.0248 -161696.7847 -109469.1904 298.1690 -303.3743 -273.4573 764278.9612 5.7273 5.7414 PRESSURE: 1281800 -102.407 49.4348 -174.984 49.435 -99.1944 222.338 -174.984 222.338 -0.597898 GPRESSURE: 1281800 -88.1799 41.7216 -88.8164 98.9114 -38.6744 236.705 -234.255 213.597 3.15332 PRESSAVG: 1281800 -45.4555 23.7717 -32.7889 23.7718 19.89 67.0074 -32.7889 67.0074 16.5596 GPRESSAVG: 1281800 -44.7509 21.8778 -29.853 22.1013 19.657 67.2808 -33.7859 65.7307 16.4617 TIMING: 1281800 CPU: 4051.18, 0.00313792/step Wall: 4051.18, 0.00313792/step, 3.24095 hours remaining, 234.417969 MB of memory in use. ENERGY: 1281800 3954.6329 20488.8357 14529.5879 235.2631 -203702.9633 2716.8024 0.0000 0.0000 52105.3531 -109672.4882 299.4502 -161777.8413 -109306.6087 298.5614 -67.3999 -41.2337 762530.3696 -3.0020 -2.8774 PRESSURE: 1282000 94.2506 100.496 64.4867 100.495 220.918 -295.098 64.486 -295.099 -135.966 GPRESSURE: 1282000 168.844 40.53 -36.438 101.11 227.03 -327.993 -85.5077 -278.358 -141.375 PRESSAVG: 1282000 13.7879 -7.94103 -21.4009 -7.94103 50.7413 10.3718 -21.4008 10.3718 1.19129 GPRESSAVG: 1282000 13.763 -8.68321 -22.8138 -7.6378 50.5488 9.94025 -20.8094 10.7186 1.41564 TIMING: 1282000 CPU: 4051.82, 0.00315652/step Wall: 4051.82, 0.00315652/step, 3.25998 hours remaining, 234.417969 MB of memory 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 4053.5769 20474.3727 14503.3905 244.2379 -203514.4135 2763.6236 0.0000 0.0000 52031.7585 -109443.4534 299.0272 -161475.2119 -109087.1362 298.8465 59.7342 84.8333 761425.1005 21.9068 21.9091 PRESSURE: 1282200 390.921 -62.0037 -32.5824 -62.0036 219.715 -27.117 -32.5821 -27.1169 69.7816 GPRESSURE: 1282200 416.82 -55.4812 5.62808 -2.30522 275.603 29.8097 -39.2663 -16.6783 77.2569 PRESSAVG: 1282200 -37.0179 -31.4904 4.99856 -31.4903 -7.49711 34.7197 4.99857 34.7197 -5.87866 GPRESSAVG: 1282200 -36.7485 -29.7492 4.06035 -30.8282 -8.07184 34.0424 5.02573 34.9184 -5.71835 TIMING: 1282200 CPU: 4052.45, 0.00316748/step Wall: 4052.45, 0.00316748/step, 3.27113 hours remaining, 234.417969 MB of memory in use. ENERGY: 1282200 3982.0107 20590.5033 14431.1494 243.8005 -203377.5110 2653.0328 0.0000 0.0000 52032.4188 -109444.5954 299.0310 -161477.0142 -109088.0538 298.9698 226.8058 256.5599 760777.3205 -16.7979 -16.8462 PRESSURE: 1282400 -306.507 -168.649 -86.8675 -168.649 -212.262 -68.6177 -86.8673 -68.6179 -351.797 GPRESSURE: 1282400 -230.224 -186.881 -78.5454 -165.339 -202.914 -69.158 -104.728 -98.0687 -360.866 PRESSAVG: 1282400 48.5852 1.59056 11.7961 1.59061 -19.3589 30.7256 11.7961 30.7256 -20.8918 GPRESSAVG: 1282400 49.0289 0.652874 13.7233 2.01806 -19.2708 31.5151 12.9894 30.5533 -21.3939 TIMING: 1282400 CPU: 4053.08, 0.00317261/step Wall: 4053.08, 0.00317261/step, 3.27625 hours remaining, 234.417969 MB of memory in use. ENERGY: 1282400 3914.3232 20522.3941 14425.0649 254.4346 -202810.7452 2445.6097 0.0000 0.0000 51680.1118 -109568.8069 297.0063 -161248.9188 -109209.7522 298.7103 -290.1886 -264.6679 763544.0139 2.7782 2.7881 PRESSURE: 1282600 124.977 7.34779 -78.9703 7.34814 0.642534 27.2718 -78.9701 27.2712 -154.216 GPRESSURE: 1282600 127.779 54.8489 -104.381 85.4763 70.8582 -41.8044 -69.1772 80.3061 -142.068 PRESSAVG: 1282600 24.0411 -36.4839 -33.2608 -36.4839 -50.9989 56.9866 -33.2607 56.9867 11.1796 GPRESSAVG: 1282600 24.3344 -37.3541 -34.8131 -36.9414 -51.5021 56.4736 -34.4332 57.237 10.8188 TIMING: 1282600 CPU: 4053.72, 0.00315862/step Wall: 4053.72, 0.00315862/step, 3.26162 hours remaining, 234.417969 MB of memory in use. ENERGY: 1282600 3994.8093 20579.4862 14444.7641 246.7212 -203724.9621 3009.0382 0.0000 0.0000 51854.4003 -109595.7429 298.0080 -161450.1431 -109245.1006 298.4252 -9.5323 18.8562 763875.1202 -5.2594 -5.4496 PRESSURE: 1282800 -49.6576 -181.159 116.622 -181.158 335.976 20.3979 116.623 20.3971 -68.5727 GPRESSURE: 1282800 27.6896 -165.203 165.583 -151.199 229.987 22.3301 105.596 -16.6852 47.8714 PRESSAVG: 1282800 32.2161 17.8314 -78.1607 17.8315 -19.2213 -0.124144 -78.1607 -0.124134 9.50511 GPRESSAVG: 1282800 31.6261 19.2571 -77.3768 18.8141 -19.6652 0.805754 -78.2037 -1.63497 10.7976 TIMING: 1282800 CPU: 4054.34, 0.00313923/step Wall: 4054.34, 0.00313923/step, 3.24143 hours remaining, 234.417969 MB of memory in use. ENERGY: 1282800 3943.9641 20410.6172 14447.7367 251.9444 -203534.6180 3090.7931 0.0000 0.0000 51772.0761 -109617.4865 297.5348 -161389.5626 -109253.0886 298.5872 72.5819 101.8495 763420.5440 7.5000 7.5861 PRESSURE: 1283000 123.773 18.9566 -80.3574 18.957 -167.883 162.868 -80.3569 162.867 105.013 GPRESSURE: 1283000 59.8272 18.0126 -61.3679 30.2166 -16.6474 181.491 -9.55757 199.625 108.8 PRESSAVG: 1283000 6.87575 14.8894 -44.7891 14.8894 11.766 41.5414 -44.7891 41.5414 31.0734 GPRESSAVG: 1283000 6.69407 13.6364 -45.3873 13.97 12.0268 41.8811 -42.7557 42.4087 30.6606 TIMING: 1283000 CPU: 4054.97, 0.00313218/step Wall: 4054.97, 0.00313218/step, 3.23397 hours remaining, 234.417969 MB of memory in use. ENERGY: 1283000 3994.8342 20522.7969 14543.8320 243.1554 -203742.8242 2779.6004 0.0000 0.0000 52087.3362 -109571.2691 299.3466 -161658.6053 -109209.4108 298.1638 20.3007 50.6597 762648.3831 16.5717 16.4605 PRESSURE: 1283200 -496.832 197.31 94.4472 197.311 -183.894 -67.751 94.4477 -67.7512 49.6045 GPRESSURE: 1283200 -434.228 180.82 24.6631 150.823 -192.903 -124.064 18.999 -142.522 70.8733 PRESSAVG: 1283200 -26.4941 43.4188 -63.2407 43.4188 6.67745 49.2468 -63.2407 49.2468 -26.3944 GPRESSAVG: 1283200 -27.0924 45.3983 -63.5647 43.5636 7.13815 48.2645 -63.2257 47.9705 -26.4863 TIMING: 1283200 CPU: 4055.6, 0.00313878/step Wall: 4055.6, 0.00313878/step, 3.24061 hours remaining, 234.417969 MB of memory in use. ENERGY: 1283200 3931.6989 20379.6035 14467.7673 237.6974 -203050.9649 2482.3756 0.0000 0.0000 51797.4542 -109754.3680 297.6807 -161551.8221 -109395.2062 298.4034 -210.3737 -185.4191 763559.9782 -15.4037 -15.4802 PRESSURE: 1283400 397.908 -23.0043 264.776 -23.0044 143.295 126.518 264.776 126.518 197.394 GPRESSURE: 1283400 360.997 30.4776 297.813 19.8949 248.619 129.055 158.029 146.758 184.884 PRESSAVG: 1283400 6.89465 -25.201 -38.395 -25.2009 5.18502 31.6376 -38.3951 31.6377 16.0399 GPRESSAVG: 1283400 6.83746 -27.0126 -38.5266 -23.4797 6.16251 32.0601 -40.4023 34.9354 15.4662 TIMING: 1283400 CPU: 4056.23, 0.00315166/step Wall: 4056.23, 0.00315166/step, 3.25374 hours remaining, 234.417969 MB of memory in use. ENERGY: 1283400 4027.0120 20686.9316 14495.0858 244.7981 -203263.0113 2588.7092 0.0000 0.0000 51767.1056 -109453.3689 297.5063 -161220.4745 -109103.3668 298.1370 246.1988 264.8330 761968.6828 9.3732 9.4887 PRESSURE: 1283600 297.372 58.0805 178.03 58.0806 74.8522 335.489 178.029 335.489 219.551 GPRESSURE: 1283600 384.836 -8.66276 115.627 49.7197 111.755 327.525 141.451 252.84 189.32 PRESSAVG: 1283600 49.1699 27.729 -68.9643 27.729 -66.4314 -13.9153 -68.9643 -13.9153 2.51297 GPRESSAVG: 1283600 49.52 27.4153 -69.1639 24.7536 -67.2672 -15.3912 -70.3989 -14.8723 3.31348 TIMING: 1283600 CPU: 4056.86, 0.00314017/step Wall: 4056.86, 0.00314017/step, 3.2417 hours remaining, 234.417969 MB of memory in use. ENERGY: 1283600 4017.2507 20434.2882 14462.7810 247.9572 -203585.8938 2894.1064 0.0000 0.0000 52027.0587 -109502.4516 299.0002 -161529.5103 -109144.2105 299.0953 197.2585 228.6372 761758.8096 -4.9162 -4.8112 PRESSURE: 1283800 9.9909 -94.9348 231.43 -94.9352 370.289 -328.038 231.431 -328.038 395.899 GPRESSURE: 1283800 39.1271 -21.2348 277.823 31.2177 422.332 -189.001 201.624 -313.285 385.638 PRESSAVG: 1283800 30.5224 39.6341 -5.53015 39.6342 -17.1314 6.83703 -5.53007 6.83703 2.64683 GPRESSAVG: 1283800 29.2869 39.697 -6.61211 42.0612 -16.0181 7.57736 -2.75058 7.38537 2.86362 TIMING: 1283800 CPU: 4057.49, 0.00317217/step Wall: 4057.49, 0.00317217/step, 3.27456 hours remaining, 234.417969 MB of memory in use. ENERGY: 1283800 4005.4518 20421.9214 14468.7055 232.0486 -203967.6306 3180.7073 0.0000 0.0000 52205.5630 -109453.2329 300.0261 -161658.7959 -109106.2099 298.9255 258.7262 282.3658 761842.3519 5.3459 5.3775 PRESSURE: 1284000 -12.5648 -107.215 -247.561 -107.215 98.3692 56.9242 -247.56 56.9244 -29.7995 GPRESSURE: 1284000 21.3152 -104.034 -188.201 46.2557 173.313 32.1489 -240.907 109.641 -42.2985 PRESSAVG: 1284000 44.2844 10.8899 -31.5762 10.8899 -51.2077 -14.4053 -31.5762 -14.4052 -3.97367 GPRESSAVG: 1284000 44.9892 10.337 -30.0476 11.9875 -51.9285 -14.1829 -33.0817 -16.1014 -3.88568 TIMING: 1284000 CPU: 4058.12, 0.00315088/step Wall: 4058.12, 0.00315088/step, 3.2524 hours remaining, 234.417969 MB of memory 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 4013.4129 20476.1284 14489.0251 253.5402 -203611.9824 2859.5879 0.0000 0.0000 52191.4842 -109328.8037 299.9452 -161520.2879 -108975.2662 298.9846 18.6683 50.7766 761719.3329 -3.6323 -3.6083 PRESSURE: 1284200 -210.841 -71.9514 105.598 -71.9513 10.199 6.9979 105.598 6.99947 325.989 GPRESSURE: 1284200 -142.62 -69.3142 93.9972 -56.9631 57.4351 -23.4101 156.675 40.6971 308.146 PRESSAVG: 1284200 23.7805 13.747 -49.9734 13.747 -30.9362 4.62633 -49.9734 4.62635 -24.2369 GPRESSAVG: 1284200 23.5441 14.7974 -52.3051 11.5609 -30.965 3.04325 -48.6795 6.1739 -23.5597 TIMING: 1284200 CPU: 4058.75, 0.00314191/step Wall: 4058.75, 0.00314191/step, 3.24297 hours remaining, 234.417969 MB of memory in use. ENERGY: 1284200 4050.9879 20492.6227 14469.6777 234.5016 -203398.4001 2823.0032 0.0000 0.0000 52098.7262 -109228.8808 299.4121 -161327.6070 -108879.0552 299.5391 41.7824 74.3204 762083.9934 -10.4642 -10.3269 LDB: ============= START OF LOAD BALANCING ============== 4071.28 LDB: ============== END OF LOAD BALANCING =============== 4071.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.28 LDB: ============= START OF LOAD BALANCING ============== 4071.6 LDB: Largest compute 7060 load 0.031135 is 15.9% of average load 0.195440 LDB: Average compute 0.004422 is 2.3% of average load 0.195440 LDB: TIME 4071.6 LOAD: AVG 0.19544 MAX 0.216262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.676 MB LDB: TIME 4071.6 LOAD: AVG 0.19544 MAX 0.216262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: TIME 4071.6 LOAD: AVG 0.19544 MAX 0.216262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: ============== END OF LOAD BALANCING =============== 4071.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.61 PRESSURE: 1284400 72.1539 -39.6451 39.6426 -39.6449 142.387 -206.45 39.6419 -206.45 47.2509 GPRESSURE: 1284400 192.537 -11.1669 -26.0015 -19.5243 186.028 -147.504 -26.5047 -292.422 -25.6142 PRESSAVG: 1284400 37.7609 16.0826 7.04141 16.0825 -2.2526 -71.8119 7.04147 -71.8119 -5.86693 GPRESSAVG: 1284400 38.8793 16.2075 9.33411 15.2071 -1.88124 -70.8389 4.92667 -71.4672 -7.47094 TIMING: 1284400 CPU: 4059.39, 0.00321257/step Wall: 4059.39, 0.00321257/step, 3.31572 hours remaining, 235.375000 MB of memory in use. ENERGY: 1284400 3973.3057 20314.8857 14477.7384 234.6680 -203277.9206 2779.3597 0.0000 0.0000 52251.0705 -109246.8926 300.2876 -161497.9631 -108888.1727 299.6952 87.2640 117.6504 760516.2070 9.8805 9.8424 PRESSURE: 1284600 528.04 -1.56975 -2.94126 -1.56959 129.697 -85.6625 -2.94156 -85.6634 -118.161 GPRESSURE: 1284600 523.429 81.9194 10.2009 -87.3074 114.086 9.42561 11.5863 -210.64 -10.9827 PRESSAVG: 1284600 38.0668 26.3065 -21.6033 26.3065 -31.745 -36.3907 -21.6034 -36.3908 7.08841 GPRESSAVG: 1284600 36.3441 24.4742 -22.4358 29.0253 -31.6008 -36.9381 -20.6863 -37.4135 8.40883 TIMING: 1284600 CPU: 4060.02, 0.00314169/step Wall: 4060.02, 0.00314169/step, 3.2424 hours remaining, 235.453125 MB of memory in use. ENERGY: 1284600 4018.0018 20478.0831 14567.9719 242.7714 -203374.7363 2808.2976 0.0000 0.0000 51977.8204 -109281.7902 298.7172 -161259.6106 -108926.3894 299.8166 179.8589 208.8440 760849.4464 4.4701 4.3841 PRESSURE: 1284800 -445.851 124.217 -28.1244 124.216 -81.8076 9.03754 -28.1241 9.03821 12.9636 GPRESSURE: 1284800 -348.383 15.0839 -90.8456 24.5954 -71.9155 4.74777 -61.9436 -58.4362 -26.6421 PRESSAVG: 1284800 29.0606 60.466 -41.5565 60.4661 -10.349 49.6793 -41.5565 49.6793 -7.77386 GPRESSAVG: 1284800 29.717 62.2154 -41.1671 57.578 -10.0652 49.3753 -41.3138 48.0438 -8.51874 TIMING: 1284800 CPU: 4060.65, 0.00315761/step Wall: 4060.65, 0.00315761/step, 3.25865 hours remaining, 235.597656 MB of memory in use. ENERGY: 1284800 3959.6095 20423.0344 14555.7046 250.4833 -203262.4429 2348.0015 0.0000 0.0000 52246.5246 -109479.0850 300.2615 -161725.6096 -109124.2033 299.3085 -171.5652 -148.9804 761753.5918 3.6459 3.7110 PRESSURE: 1285000 -79.0548 -150.107 -27.8588 -150.107 122.887 146.125 -27.8592 146.124 -182.004 GPRESSURE: 1285000 33.7321 -176.578 -80.4418 -149.804 95.323 156.554 141.985 204.455 -186.636 PRESSAVG: 1285000 2.93767 19.1658 -24.7905 19.1658 -0.558664 32.2873 -24.7905 32.2873 5.21311 GPRESSAVG: 1285000 2.23573 17.8137 -26.6412 20.562 -1.24292 32.8105 -24.1151 33.0057 6.13708 TIMING: 1285000 CPU: 4061.28, 0.00315962/step Wall: 4061.28, 0.00315962/step, 3.26055 hours remaining, 235.597656 MB of memory in use. ENERGY: 1285000 4003.4124 20405.6753 14440.5377 231.7211 -203351.7983 2831.5755 0.0000 0.0000 51970.9559 -109467.9204 298.6778 -161438.8763 -109106.7454 299.1278 -46.0575 -19.1936 763297.7811 2.5307 2.3766 PRESSURE: 1285200 139.263 141.005 84.1243 141.004 -282.885 -15.3892 84.1238 -15.3896 -225.397 GPRESSURE: 1285200 158.975 164.224 51.9525 165.794 -250.851 -104.156 -28.6968 -42.9359 -182.356 PRESSAVG: 1285200 -39.7066 73.5434 26.2626 73.5435 23.0449 16.9894 26.2626 16.9894 -2.97313 GPRESSAVG: 1285200 -39.244 76.3586 26.7534 71.4793 23.9355 16.7471 25.209 18.1098 -3.72664 TIMING: 1285200 CPU: 4061.91, 0.00315147/step Wall: 4061.91, 0.00315147/step, 3.25197 hours remaining, 235.597656 MB of memory in use. ENERGY: 1285200 3925.0356 20601.5240 14437.4925 238.7711 -203829.6861 2965.0493 0.0000 0.0000 52135.4022 -109526.4114 299.6229 -161661.8136 -109161.9163 299.0266 -123.0060 -91.4107 764524.5251 -6.5450 -6.3450 PRESSURE: 1285400 87.0257 -7.07426 127.654 -7.07386 -155.158 103.024 127.653 103.022 -863.2 GPRESSURE: 1285400 169.618 -100.58 200.327 -18.9582 -274.775 84.1031 23.1676 33.9588 -727.669 PRESSAVG: 1285400 12.1666 43.5834 -15.8845 43.5834 -36.0185 14.3795 -15.8845 14.3796 -13.6966 GPRESSAVG: 1285400 11.9564 42.1377 -14.6132 43.086 -35.5523 14.5177 -17.4696 11.4443 -14.4856 TIMING: 1285400 CPU: 4062.55, 0.00315672/step Wall: 4062.55, 0.00315672/step, 3.25721 hours remaining, 235.597656 MB of memory in use. ENERGY: 1285400 4016.6096 20398.8442 14449.8649 229.5812 -203452.5963 2861.0718 0.0000 0.0000 51826.3904 -109670.2342 297.8470 -161496.6246 -109313.0099 298.8192 -310.4442 -277.6085 762500.9131 -12.5162 -12.6939 PRESSURE: 1285600 -18.0169 -247.557 -131.963 -247.557 163.849 112.105 -131.964 112.106 -40.4593 GPRESSURE: 1285600 36.8034 -157.339 -151.417 -288.176 165.522 240.253 -55.8019 163.921 -33.3094 PRESSAVG: 1285600 38.6097 59.4875 -6.82547 59.4875 -22.9985 4.71547 -6.82546 4.71551 -16.3333 GPRESSAVG: 1285600 38.8745 58.3992 -7.76038 60.7105 -23.6534 4.36377 -5.71497 7.21933 -16.2182 TIMING: 1285600 CPU: 4063.17, 0.00314745/step Wall: 4063.17, 0.00314745/step, 3.24746 hours remaining, 235.597656 MB of memory in use. ENERGY: 1285600 3888.3266 20434.3548 14400.8534 227.2624 -203569.3337 2769.2871 0.0000 0.0000 51941.4187 -109907.8308 298.5080 -161849.2495 -109537.5014 298.4642 35.1244 56.3386 762760.5145 -0.2407 -0.3324 PRESSURE: 1285800 213.791 63.3784 -64.66 63.3784 -47.0823 -60.5859 -64.6604 -60.5853 187.295 GPRESSURE: 1285800 285.646 -41.639 -19.2036 30.4084 -87.1845 8.98401 -158.705 -1.89953 231.45 PRESSAVG: 1285800 25.4538 -13.7907 -25.0883 -13.7906 0.646407 71.9926 -25.0882 71.9927 9.70424 GPRESSAVG: 1285800 24.7832 -13.0807 -24.106 -12.8916 0.66112 71.8358 -24.9041 70.9527 10.0964 TIMING: 1285800 CPU: 4063.8, 0.00313527/step Wall: 4063.8, 0.00313527/step, 3.23473 hours remaining, 235.597656 MB of memory in use. ENERGY: 1285800 3850.8013 20427.6850 14439.0078 258.4166 -203354.5135 2827.8873 0.0000 0.0000 51965.9295 -109584.7860 298.6489 -161550.7155 -109212.4022 298.6769 118.0010 143.3037 761676.7023 11.9348 11.8469 PRESSURE: 1286000 -231.446 -8.47119 -211.748 -8.47154 -459.665 109.543 -211.747 109.544 93.7624 GPRESSURE: 1286000 -198.826 -39.6218 -144.177 -64.1614 -385.727 73.0439 -102.561 151.876 62.3149 PRESSAVG: 1286000 22.5317 11.5754 -7.76889 11.5754 -24.9201 85.7642 -7.76886 85.7641 -1.31837 GPRESSAVG: 1286000 23.4997 13.1914 -8.53991 10.4397 -24.7801 86.6034 -8.17368 83.6833 -2.54486 TIMING: 1286000 CPU: 4064.43, 0.00316178/step Wall: 4064.43, 0.00316178/step, 3.26191 hours remaining, 235.597656 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: 1286000 4087.9152 20460.9531 14469.5497 237.3285 -203222.7740 2379.8722 0.0000 0.0000 51955.1686 -109631.9866 298.5871 -161587.1552 -109277.3491 298.4915 -199.1161 -174.0792 761450.0388 -1.2356 -1.2751 PRESSURE: 1286200 -286.044 -173.549 -3.71244 -173.55 -245.739 -109.538 -3.71251 -109.538 0.895608 GPRESSURE: 1286200 -305.751 -60.2953 51.4784 -201.176 -115.76 -76.307 130.959 16.3631 -32.388 PRESSAVG: 1286200 11.9465 7.08261 20.5626 7.08256 -13.9016 23.789 20.5626 23.789 -2.48075 GPRESSAVG: 1286200 11.3037 4.53676 21.5247 8.58132 -13.6506 25.4852 20.6316 25.1176 -2.12506 TIMING: 1286200 CPU: 4065.06, 0.00314292/step Wall: 4065.06, 0.00314292/step, 3.24228 hours remaining, 235.597656 MB of memory in use. ENERGY: 1286200 3972.9892 20315.5352 14466.6538 232.6179 -203048.4247 2395.0454 0.0000 0.0000 52193.5191 -109472.0641 299.9569 -161665.5832 -109097.5389 298.8110 -176.9623 -151.2997 761228.7533 -1.4786 -1.4906 PRESSURE: 1286400 -58.9427 -79.0972 -52.6871 -79.097 354.542 163.341 -52.686 163.341 -97.3401 GPRESSURE: 1286400 -26.2469 -294.55 -8.32212 -82.3913 372.446 138.63 -30.4218 111.068 -72.0594 PRESSAVG: 1286400 11.2004 19.0197 16.0498 19.0197 49.5292 23.8642 16.0498 23.8642 12.7708 GPRESSAVG: 1286400 11.8404 20.1584 16.618 17.5835 47.574 21.7265 16.9702 24.1224 13.83 TIMING: 1286400 CPU: 4065.69, 0.00314644/step Wall: 4065.69, 0.00314644/step, 3.24573 hours remaining, 235.597656 MB of memory in use. ENERGY: 1286400 3861.3702 20277.9628 14490.5378 258.4887 -203459.9390 2889.2585 0.0000 0.0000 52153.5493 -109528.7717 299.7272 -161682.3210 -109146.8571 298.2868 66.0865 91.3798 761337.6236 24.5001 24.4148 PRESSURE: 1286600 -129.495 99.816 88.771 99.8157 37.9712 -105.284 88.7699 -105.285 99.3213 GPRESSURE: 1286600 23.6352 126.352 55.2131 -55.719 21.904 -224.451 149.562 -146.8 56.2615 PRESSAVG: 1286600 -4.73465 2.18655 -34.1836 2.18656 -4.86737 -2.24391 -34.1836 -2.24391 7.51243 GPRESSAVG: 1286600 -4.53677 3.30617 -36.4843 3.45119 -4.61389 -2.88915 -34.8148 -1.11494 6.98433 TIMING: 1286600 CPU: 4066.32, 0.00314539/step Wall: 4066.32, 0.00314539/step, 3.24447 hours remaining, 235.597656 MB of memory in use. ENERGY: 1286600 3888.3670 20427.7054 14472.3289 243.1056 -203616.6160 2864.8210 0.0000 0.0000 52436.1749 -109284.1131 301.3514 -161720.2880 -108917.6221 299.0704 2.5992 33.9336 761084.6287 -0.6965 -0.7221 PRESSURE: 1286800 -53.3812 86.5235 154.806 86.5237 5.93448 146.272 154.806 146.272 20.6256 GPRESSURE: 1286800 -107.128 -18.516 133.667 -18.6536 116.601 112.35 135.27 13.3062 56.5725 PRESSAVG: 1286800 16.5144 47.1054 12.4567 47.1054 12.1517 -3.92131 12.4567 -3.92129 -17.071 GPRESSAVG: 1286800 15.9651 46.8314 12.9286 47.1749 13.2848 -1.88078 13.8337 -4.90246 -17.9588 TIMING: 1286800 CPU: 4066.95, 0.00315296/step Wall: 4066.95, 0.00315296/step, 3.25211 hours remaining, 235.597656 MB of memory in use. ENERGY: 1286800 3972.9675 20344.9835 14505.0469 254.5822 -202971.7849 2555.9970 0.0000 0.0000 52220.4603 -109117.7475 300.1117 -161338.2078 -108754.7444 300.1077 -8.9404 22.0152 763243.9561 3.8651 3.7637 PRESSURE: 1287000 -130.093 86.6322 6.78236 86.6327 -144.393 18.905 6.7819 18.9048 38.308 GPRESSURE: 1287000 -10.9331 73.5016 -19.228 80.3854 -115.424 -44.9143 25.071 58.2924 -36.7639 PRESSAVG: 1287000 0.453267 49.2603 27.7583 49.2603 11.398 -22.2558 27.7583 -22.2559 34.6608 GPRESSAVG: 1287000 0.798832 47.7937 28.5763 49.0385 9.88814 -21.7426 25.6154 -23.5824 36.0975 TIMING: 1287000 CPU: 4067.58, 0.00314567/step Wall: 4067.58, 0.00314567/step, 3.24441 hours remaining, 235.597656 MB of memory in use. ENERGY: 1287000 3971.5033 20401.1830 14573.8248 227.3288 -203396.5060 2685.4474 0.0000 0.0000 52031.0137 -109506.2050 299.0230 -161537.2187 -109155.6639 299.6345 -78.7258 -54.3736 762077.9140 15.5040 15.5948 PRESSURE: 1287200 262.577 -61.6229 24.9982 -61.6228 356.656 -12.6139 24.9975 -12.6137 124.881 GPRESSURE: 1287200 351.97 -92.3432 -57.1764 -38.42 271.08 -116.204 27.4583 175.839 195.308 PRESSAVG: 1287200 -12.3102 35.6115 12.5803 35.6116 9.14532 -13.2502 12.5802 -13.2502 5.56685 GPRESSAVG: 1287200 -12.6413 36.6923 11.2184 35.5896 10.0237 -15.2424 13.4512 -11.6843 5.23903 TIMING: 1287200 CPU: 4068.21, 0.00313062/step Wall: 4068.21, 0.00313062/step, 3.22872 hours remaining, 235.597656 MB of memory in use. ENERGY: 1287200 3910.5154 20355.1915 14432.3189 247.1714 -203130.3788 2669.9631 0.0000 0.0000 52016.3339 -109498.8845 298.9386 -161515.2184 -109139.8962 298.6383 248.0384 272.7859 764813.5828 0.8007 0.8738 PRESSURE: 1287400 34.2949 -16.8709 34.2208 -16.8716 -322.311 -53.0525 34.2193 -53.052 218.039 GPRESSURE: 1287400 18.9181 -36.8749 118.094 -110.895 -193.258 57.9795 57.3265 -35.3656 194.257 PRESSAVG: 1287400 42.7547 3.97077 18.5965 3.97072 -70.8069 -1.81743 18.5965 -1.81742 2.45648 GPRESSAVG: 1287400 41.2473 4.4322 19.2007 3.54546 -69.7821 -1.31919 18.1903 -1.558 2.23355 TIMING: 1287400 CPU: 4068.83, 0.00313696/step Wall: 4068.83, 0.00313696/step, 3.23508 hours remaining, 235.597656 MB of memory in use. ENERGY: 1287400 3966.5142 20412.1583 14518.3641 245.2167 -203157.0681 2647.0423 0.0000 0.0000 52020.3092 -109347.4633 298.9614 -161367.7725 -108990.6590 298.8625 -23.3257 6.6392 762898.6984 -8.5319 -8.7671 PRESSURE: 1287600 87.4525 42.6978 13.7716 42.6981 104.552 -160.7 13.7727 -160.701 -94.8794 GPRESSURE: 1287600 151.736 -20.8764 -126.233 96.6303 93.5288 -68.5427 -19.1603 -168.974 -70.4712 PRESSAVG: 1287600 15.9097 11.8342 6.55646 11.8341 -15.3649 -24.2397 6.55644 -24.2396 -12.1697 GPRESSAVG: 1287600 16.7511 11.6017 7.00331 13.0343 -15.62 -23.4358 5.41362 -24.0691 -11.9776 TIMING: 1287600 CPU: 4069.46, 0.00314916/step Wall: 4069.46, 0.00314916/step, 3.24748 hours remaining, 235.597656 MB of memory in use. ENERGY: 1287600 3939.2967 20400.1320 14480.6575 233.9254 -202924.4137 2506.1536 0.0000 0.0000 52064.5234 -109299.7251 299.2155 -161364.2484 -108936.1857 299.3281 32.3749 58.2646 762678.6922 -3.8750 -3.6155 PRESSURE: 1287800 397.626 10.0945 -196.682 10.0946 336.029 -61.3389 -196.681 -61.3381 -215.878 GPRESSURE: 1287800 372.619 16.7267 -147.223 60.2171 370.876 -93.3026 -205.009 -18.4066 -160.291 PRESSAVG: 1287800 3.8273 -66.9802 17.3632 -66.9802 38.8202 -39.9399 17.3632 -39.9398 2.43133 GPRESSAVG: 1287800 3.03402 -67.3307 18.7166 -64.811 38.3217 -39.6872 16.7114 -41.1419 3.47173 TIMING: 1287800 CPU: 4070.1, 0.00316084/step Wall: 4070.1, 0.00316084/step, 3.25935 hours remaining, 235.597656 MB of memory in use. ENERGY: 1287800 4080.3209 20391.2131 14545.7497 229.1046 -203146.4072 2786.4670 0.0000 0.0000 51867.8630 -109245.6888 298.0853 -161113.5517 -108885.8474 299.5481 172.5925 194.4010 761018.2827 15.0263 14.9425 PRESSURE: 1288000 97.5307 -19.8106 237.648 -19.8106 -144.928 -91.406 237.648 -91.4066 349.461 GPRESSURE: 1288000 93.1052 -122.618 331.229 29.5216 -96.9475 -17.551 -13.3311 -90.3699 402.373 PRESSAVG: 1288000 -25.276 -17.0095 -27.0013 -17.0095 30.6168 -35.8559 -27.0012 -35.8559 -14.3545 GPRESSAVG: 1288000 -23.7201 -16.8386 -29.2904 -19.6884 31.0134 -37.8471 -25.1509 -34.9289 -16.4013 TIMING: 1288000 CPU: 4070.73, 0.00316407/step Wall: 4070.73, 0.00316407/step, 3.26251 hours remaining, 235.597656 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: 1288000 3961.6074 20560.2061 14481.6714 259.3430 -203266.1786 2650.4663 0.0000 0.0000 52134.6659 -109218.2185 299.6186 -161352.8845 -108858.0672 299.0025 100.6880 132.8437 761622.9239 -3.0046 -3.0360 PRESSURE: 1288200 -93.8399 -12.2699 -38.5884 -12.2694 -27.4034 -47.7289 -38.5878 -47.7292 152.306 GPRESSURE: 1288200 -75.8429 101.116 87.8909 -87.323 21.7526 -70.6733 -24.3034 -150.328 155.271 PRESSAVG: 1288200 3.83361 -57.3576 44.2817 -57.3575 9.02048 -41.0361 44.2817 -41.0361 -15.9487 GPRESSAVG: 1288200 3.87765 -55.2089 45.6058 -56.7629 9.31279 -40.538 44.1602 -44.3478 -16.4527 TIMING: 1288200 CPU: 4071.36, 0.00314658/step Wall: 4071.36, 0.00314658/step, 3.2443 hours remaining, 235.597656 MB of memory in use. ENERGY: 1288200 3972.2371 20662.3435 14503.1364 239.6048 -203258.3526 2546.2264 0.0000 0.0000 52264.1958 -109070.6086 300.3631 -161334.8044 -108706.5459 299.6067 10.3543 33.7270 761429.4103 -1.0315 -1.0874 LDB: ============= START OF LOAD BALANCING ============== 4083.89 LDB: ============== END OF LOAD BALANCING =============== 4083.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4083.89 LDB: ============= START OF LOAD BALANCING ============== 4084.21 LDB: Largest compute 7059 load 0.030342 is 15.5% of average load 0.195378 LDB: Average compute 0.004397 is 2.3% of average load 0.195378 LDB: TIME 4084.21 LOAD: AVG 0.195378 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.082 MB LDB: TIME 4084.21 LOAD: AVG 0.195378 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.082 MB LDB: TIME 4084.21 LOAD: AVG 0.195378 MAX 0.213654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.082 MB LDB: ============== END OF LOAD BALANCING =============== 4084.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4084.22 PRESSURE: 1288400 -77.7146 68.926 -4.23585 68.925 110.155 214.818 -4.23513 214.819 1.56802 GPRESSURE: 1288400 -11.5297 104.269 -30.5186 62.426 104.896 302.537 89.9432 110.342 31.7263 PRESSAVG: 1288400 -37.0353 15.1005 23.7234 15.1005 39.8752 -22.292 23.7234 -22.292 -3.3267 GPRESSAVG: 1288400 -37.8261 14.2542 22.0721 15.8163 39.8498 -22.7065 25.778 -18.7681 -2.60224 TIMING: 1288400 CPU: 4072, 0.00321392/step Wall: 4072, 0.00321392/step, 3.31355 hours remaining, 234.230469 MB of memory in use. ENERGY: 1288400 4059.3216 20619.8912 14498.2953 246.6761 -203546.7265 2851.0133 0.0000 0.0000 52186.7576 -109084.7713 299.9180 -161271.5289 -108721.0811 299.7903 11.3360 41.6976 761891.6758 -0.1623 -0.1929 PRESSURE: 1288600 -74.2404 -111.727 -75.7278 -111.726 -115.459 -0.0642422 -75.7275 -0.0640683 -54.4675 GPRESSURE: 1288600 13.8152 -88.3229 -21.5569 -177.97 -74.5381 -28.9008 -78.2021 -17.2903 -103.431 PRESSAVG: 1288600 -7.97094 -16.0873 35.885 -16.0872 -4.79243 -1.44739 35.885 -1.44742 -13.5484 GPRESSAVG: 1288600 -7.08938 -15.4833 37.6919 -17.5881 -5.92099 -1.47442 32.026 -0.37818 -14.0668 TIMING: 1288600 CPU: 4072.63, 0.00314247/step Wall: 4072.63, 0.00314248/step, 3.23972 hours remaining, 234.230469 MB of memory in use. ENERGY: 1288600 3987.3052 20546.7771 14486.3181 238.7041 -203254.8637 2592.3874 0.0000 0.0000 52288.7864 -109114.5855 300.5044 -161403.3719 -108750.2705 299.8564 -81.3890 -54.7180 763138.5917 -8.7706 -9.0257 PRESSURE: 1288800 -146.856 -258.675 -30.883 -258.675 96.9294 3.98153 -30.8829 3.98092 -211.181 GPRESSURE: 1288800 -112.204 -191.847 -65.3979 -105.989 45.8982 87.0257 38.2593 -17.583 -102.001 PRESSAVG: 1288800 24.6699 -27.5326 15.7475 -27.5326 19.0544 -25.0076 15.7476 -25.0075 0.456371 GPRESSAVG: 1288800 23.912 -28.4103 13.4631 -27.8842 20.0031 -25.1694 19.0892 -25.8948 0.362638 TIMING: 1288800 CPU: 4073.26, 0.0031494/step Wall: 4073.26, 0.0031494/step, 3.24668 hours remaining, 234.433594 MB of memory in use. ENERGY: 1288800 3925.5108 20412.2822 14520.6110 240.6517 -203164.4144 2698.2994 0.0000 0.0000 52216.8083 -109150.2510 300.0907 -161367.0592 -108779.5375 299.0868 -87.0358 -56.1024 762750.2558 14.7269 14.7593 PRESSURE: 1289000 94.4706 46.3763 -184.421 46.3773 165.208 298.403 -184.421 298.402 -163.248 GPRESSURE: 1289000 220.009 4.45128 -115.67 56.7301 185.729 365.35 -195.958 277.712 -240.528 PRESSAVG: 1289000 -14.2632 -23.4399 29.8913 -23.4399 -16.7607 1.75584 29.8913 1.75585 9.5647 GPRESSAVG: 1289000 -15.1431 -24.4555 31.2205 -22.1389 -16.8332 2.69974 30.0388 -0.176813 10.0739 TIMING: 1289000 CPU: 4073.89, 0.00315545/step Wall: 4073.89, 0.00315545/step, 3.25274 hours remaining, 234.433594 MB of memory in use. ENERGY: 1289000 4028.0063 20591.9356 14522.4125 235.2903 -203421.8724 2883.1678 0.0000 0.0000 52121.1209 -109039.9390 299.5408 -161161.0599 -108682.4588 299.1318 32.1436 55.0699 762685.6184 -7.1530 -7.3008 PRESSURE: 1289200 -75.8437 138.643 -87.7159 138.643 171.816 11.943 -87.7154 11.9431 50.1948 GPRESSURE: 1289200 -32.2452 146.661 -18.5825 195.391 226.374 -29.5542 -147.615 54.8336 33.6064 PRESSAVG: 1289200 -11.9813 -2.8299 11.1425 -2.82991 40.2407 -38.0805 11.1425 -38.0805 -1.37859 GPRESSAVG: 1289200 -11.9099 -1.44547 10.7922 -3.99217 41.9185 -38.2031 9.88336 -36.0742 -3.20879 TIMING: 1289200 CPU: 4074.52, 0.00316513/step Wall: 4074.52, 0.00316513/step, 3.26255 hours remaining, 234.433594 MB of memory in use. ENERGY: 1289200 4026.7640 20579.4988 14504.4696 229.2830 -203487.2783 2884.9404 0.0000 0.0000 52209.9396 -109052.3828 300.0512 -161262.3224 -108702.9158 299.8471 48.7225 75.9117 763091.1643 8.9603 8.9333 PRESSURE: 1289400 -120.509 280.965 50.4854 280.965 -23.6532 55.5828 50.4861 55.5833 367.092 GPRESSURE: 1289400 -131.188 212.113 23.3331 241.645 47.4429 144.863 50.7329 -6.05734 372.805 PRESSAVG: 1289400 -30.4174 -18.8937 24.7141 -18.8937 32.3635 -28.0377 24.7141 -28.0376 -16.1259 GPRESSAVG: 1289400 -30.55 -18.5961 25.1793 -18.6491 31.2336 -26.4437 24.6233 -30.4994 -14.7012 TIMING: 1289400 CPU: 4075.16, 0.0031699/step Wall: 4075.16, 0.0031699/step, 3.26728 hours remaining, 234.433594 MB of memory in use. ENERGY: 1289400 3936.3639 20569.8494 14487.2820 232.1619 -203141.6991 2572.2491 0.0000 0.0000 52235.0578 -109108.7349 300.1956 -161343.7928 -108736.1322 299.9577 74.3098 96.3532 763403.3119 -4.7266 -4.6725 PRESSURE: 1289600 31.1175 -195.235 -81.0451 -195.235 202.672 -15.7934 -81.0449 -15.7935 369.282 GPRESSURE: 1289600 69.7254 -247.724 -128.755 -196.145 319.157 105.342 -105.852 -29.9555 292.267 PRESSAVG: 1289600 -15.1954 17.7377 -4.30154 17.7376 0.552265 14.9132 -4.30149 14.9132 4.53986 GPRESSAVG: 1289600 -15.7373 16.9928 -4.86751 18.7542 0.344036 13.6815 -3.8109 17.2406 5.55363 TIMING: 1289600 CPU: 4075.79, 0.00315429/step Wall: 4075.79, 0.00315429/step, 3.25102 hours remaining, 234.433594 MB of memory in use. ENERGY: 1289600 3965.6692 20588.9053 14493.7786 228.1220 -203558.2961 2832.4788 0.0000 0.0000 52291.1684 -109158.1738 300.5181 -161449.3422 -108804.8991 299.7043 201.0237 227.0497 762416.7055 -3.3678 -3.2799 PRESSURE: 1289800 -350.55 36.1572 27.6563 36.158 -44.8608 -16.103 27.6562 -16.1029 -61.9965 GPRESSURE: 1289800 -232.222 111.552 -14.7201 -33.5886 0.508108 32.6228 25.6633 -16.6163 -132.527 PRESSAVG: 1289800 -6.59 -10.5525 4.63433 -10.5525 20.9674 6.17536 4.6344 6.1754 19.4801 GPRESSAVG: 1289800 -5.4103 -11.0473 3.90819 -12.082 20.5957 7.03949 4.55151 5.97694 18.2401 TIMING: 1289800 CPU: 4076.42, 0.00315909/step Wall: 4076.42, 0.00315909/step, 3.25579 hours remaining, 234.433594 MB of memory in use. ENERGY: 1289800 4030.7207 20490.0290 14549.1180 246.2290 -203053.5432 2370.4531 0.0000 0.0000 52099.4200 -109267.5735 299.4161 -161366.9935 -108896.6192 299.8537 -152.4690 -121.4137 762271.3700 11.2858 11.1418 PRESSURE: 1290000 -409.268 -28.6001 -64.8275 -28.5995 -211.183 47.1453 -64.8274 47.1438 151.603 GPRESSURE: 1290000 -286.101 -39.0552 -38.7706 18.5153 -215.098 51.7535 -29.7283 -95.3072 138.373 PRESSAVG: 1290000 5.40925 4.44986 56.7427 4.44982 10.7193 10.5043 56.7427 10.5043 -6.46111 GPRESSAVG: 1290000 4.38109 3.65912 57.1375 7.17587 10.9587 9.94973 56.6804 10.9241 -5.69871 TIMING: 1290000 CPU: 4077.06, 0.00318529/step Wall: 4077.06, 0.00318529/step, 3.28262 hours remaining, 234.433594 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: 1290000 4028.2176 20433.6967 14502.6575 242.8276 -203274.0504 2403.6353 0.0000 0.0000 52202.1625 -109460.8532 300.0065 -161663.0157 -109097.4116 299.2887 -156.2825 -120.9419 761487.6615 3.2225 3.2137 PRESSURE: 1290200 249.22 -238.165 13.2321 -238.165 177.775 -289.746 13.2328 -289.747 94.1573 GPRESSURE: 1290200 280.21 -168.124 5.31627 -274.823 181.773 -256.989 -35.7507 -167.272 136.035 PRESSAVG: 1290200 15.5016 -80.3947 26.7456 -80.3947 -7.81949 -31.0205 26.7457 -31.0205 13.879 GPRESSAVG: 1290200 16.3524 -79.4968 27.6037 -81.6052 -8.26685 -29.9864 25.6011 -33.719 13.9487 TIMING: 1290200 CPU: 4077.69, 0.00316671/step Wall: 4077.69, 0.00316671/step, 3.26329 hours remaining, 234.433594 MB of memory in use. ENERGY: 1290200 3988.6236 20479.4042 14465.8807 250.5546 -203442.6792 2542.9196 0.0000 0.0000 52246.3808 -109468.9157 300.2607 -161715.2965 -109114.5108 298.8777 173.7174 199.3393 760248.3365 7.1870 7.3447 PRESSURE: 1290400 329.049 -129.419 35.3184 -129.419 -459.682 -0.952621 35.3182 -0.951749 177.018 GPRESSURE: 1290400 314.838 -108.542 13.8558 -124.117 -368.121 -72.1456 -31.3369 61.91 163.311 PRESSAVG: 1290400 -25.1184 -25.1651 6.73642 -25.1652 5.70436 18.7565 6.73648 18.7564 0.219868 GPRESSAVG: 1290400 -25.1281 -24.9855 5.85149 -23.5795 6.38962 17.1357 5.95627 20.6718 -0.397675 TIMING: 1290400 CPU: 4078.33, 0.00317203/step Wall: 4078.33, 0.00317203/step, 3.26861 hours remaining, 234.433594 MB of memory in use. ENERGY: 1290400 4006.0497 20588.5028 14548.9140 250.3004 -203155.3112 2430.9208 0.0000 0.0000 51985.8532 -109344.7704 298.7634 -161330.6236 -108983.5075 299.2864 15.4615 36.6759 762200.4959 -6.3980 -6.3787 PRESSURE: 1290600 -323.886 40.875 31.8501 40.8752 -537.162 5.94686 31.8493 5.94716 25.4722 GPRESSURE: 1290600 -261.556 125.494 88.2906 -17.9378 -525.901 -29.474 127.679 -127.817 35.4797 PRESSAVG: 1290600 51.4055 3.53321 5.36976 3.53328 -74.2004 23.3805 5.36974 23.3805 8.43174 GPRESSAVG: 1290600 52.9713 3.34869 6.18396 0.921736 -74.4349 23.6639 7.20714 22.5317 7.87429 TIMING: 1290600 CPU: 4078.96, 0.00317708/step Wall: 4078.96, 0.00317708/step, 3.27362 hours remaining, 234.636719 MB of memory in use. ENERGY: 1290600 4010.3166 20404.0622 14526.8356 230.4417 -202579.5847 2014.7804 0.0000 0.0000 52037.9022 -109355.2460 299.0625 -161393.1482 -108987.6521 298.7863 -278.5252 -250.6592 763245.6172 -4.7877 -4.5298 PRESSURE: 1290800 -445.821 -34.9737 -168.834 -34.9739 82.4336 41.8432 -168.834 41.8427 160.732 GPRESSURE: 1290800 -309.861 12.2566 -158.914 -50.6244 52.6713 113.972 -53.2808 44.6357 141.934 PRESSAVG: 1290800 -46.7973 -28.5279 22.1519 -28.5279 6.0917 4.5181 22.1519 4.51804 -2.99417 GPRESSAVG: 1290800 -46.0474 -27.9053 21.5747 -28.0908 6.38768 5.81203 21.6318 5.37351 -3.63966 TIMING: 1290800 CPU: 4079.6, 0.00317736/step Wall: 4079.6, 0.00317736/step, 3.27374 hours remaining, 234.636719 MB of memory in use. ENERGY: 1290800 3972.3432 20480.5043 14528.1221 250.8083 -203156.6285 2575.9775 0.0000 0.0000 52052.9839 -109295.8893 299.1492 -161348.8732 -108929.7823 298.8153 -67.5518 -38.4185 763688.0602 -14.5666 -14.4331 PRESSURE: 1291000 -103.411 201.943 -221.129 201.943 -433.146 -186.238 -221.129 -186.239 247.824 GPRESSURE: 1291000 -29.2438 230.241 -261.478 112.111 -404.581 -209.949 -115.878 -208.005 220.528 PRESSAVG: 1291000 39.6508 -14.575 -17.057 -14.5749 -34.4244 -20.0627 -17.057 -20.0627 -6.3702 GPRESSAVG: 1291000 38.8936 -16.0409 -17.7699 -14.4787 -33.6454 -22.1148 -16.9662 -21.3278 -6.12548 TIMING: 1291000 CPU: 4080.23, 0.00316086/step Wall: 4080.23, 0.00316086/step, 3.25656 hours remaining, 234.636719 MB of memory in use. ENERGY: 1291000 4043.6069 20441.9171 14494.2518 251.0500 -203006.8291 2541.6060 0.0000 0.0000 51852.5936 -109381.8037 297.9976 -161234.3973 -109022.1730 298.6118 -96.2443 -71.0990 762716.8665 -0.3813 -0.2924 PRESSURE: 1291200 115.907 113.162 -117.992 113.16 -19.2342 77.2173 -117.992 77.2176 -375.469 GPRESSURE: 1291200 204.842 78.1416 -87.4722 205.49 -48.6352 78.7029 -24.4654 58.606 -347.781 PRESSAVG: 1291200 -36.8445 0.298914 -28.2138 0.298902 75.6986 -0.256806 -28.2137 -0.256818 10.6988 GPRESSAVG: 1291200 -37.0765 1.29535 -27.2307 0.69728 75.5187 -0.719142 -30.2829 2.23968 11.1203 TIMING: 1291200 CPU: 4080.86, 0.00316151/step Wall: 4080.86, 0.00316151/step, 3.25706 hours remaining, 234.636719 MB of memory in use. ENERGY: 1291200 3952.7567 20551.0133 14550.3970 245.0782 -203517.1228 2685.6389 0.0000 0.0000 52173.9855 -109358.2532 299.8446 -161532.2387 -108986.4931 299.1170 -92.9320 -63.8580 762432.2900 16.5176 16.5209 PRESSURE: 1291400 -19.8763 -25.476 35.1235 -25.4756 -81.0659 135.097 35.1237 135.096 -13.0684 GPRESSURE: 1291400 -34.7857 74.6027 -29.4645 -46.1545 -20.8667 59.315 171.78 270.864 19.5192 PRESSAVG: 1291400 -44.1587 52.936 -14.3763 52.9361 36.5991 -3.89314 -14.3763 -3.89317 11.7419 GPRESSAVG: 1291400 -45.4977 52.6332 -15.1351 53.1338 36.6266 -2.6655 -11.1185 -4.25198 12.4579 TIMING: 1291400 CPU: 4081.49, 0.00314988/step Wall: 4081.49, 0.00314988/step, 3.2449 hours remaining, 234.636719 MB of memory in use. ENERGY: 1291400 3960.8649 20498.1474 14493.4458 250.1156 -203556.5558 2861.6326 0.0000 0.0000 51983.7908 -109508.5587 298.7516 -161492.3495 -109144.7533 298.9988 -38.0035 -12.0444 762203.2334 1.3941 1.1956 PRESSURE: 1291600 189.642 16.8816 136.289 16.8815 5.09011 163.075 136.289 163.074 11.8408 GPRESSURE: 1291600 206.386 -62.8877 142.827 8.04479 33.3182 157.075 -1.87852 201.709 60.9574 PRESSAVG: 1291600 1.33795 55.6486 3.44659 55.6485 -22.4758 14.5433 3.44662 14.5432 17.3079 GPRESSAVG: 1291600 1.5319 55.9962 4.42898 53.9835 -21.6584 13.7746 2.31372 13.0233 16.6572 TIMING: 1291600 CPU: 4082.12, 0.00315917/step Wall: 4082.12, 0.00315917/step, 3.2543 hours remaining, 234.636719 MB of memory in use. ENERGY: 1291600 3968.4098 20200.0002 14589.9172 263.4113 -203487.2461 2883.9928 0.0000 0.0000 52015.6768 -109565.8380 298.9348 -161581.5148 -109201.2860 298.4536 68.8576 100.2207 764306.0397 -1.2767 -1.1564 PRESSURE: 1291800 241.143 19.9114 -205.878 19.9113 0.751573 94.6356 -205.878 94.6355 -437.342 GPRESSURE: 1291800 134.287 33.5253 -167.007 -123.147 96.2996 156.971 -59.7543 51.4939 -331.646 PRESSAVG: 1291800 -5.0044 -38.7949 -16.8485 -38.795 -12.5343 58.0833 -16.8486 58.0833 -10.9993 GPRESSAVG: 1291800 -5.28665 -39.2688 -17.5107 -37.0704 -13.4504 59.4769 -16.6204 56.8242 -10.3908 TIMING: 1291800 CPU: 4082.75, 0.00313908/step Wall: 4082.75, 0.00313908/step, 3.23343 hours remaining, 234.636719 MB of memory in use. ENERGY: 1291800 3961.1964 20269.8264 14503.9280 231.6345 -203366.9856 2594.2003 0.0000 0.0000 52226.8665 -109579.3334 300.1485 -161806.1999 -109202.5067 298.3572 -65.1491 -33.6865 763944.9096 -9.5127 -9.7093 PRESSURE: 1292000 -241.261 -13.067 73.2579 -13.0677 -327.17 73.2707 73.2577 73.271 249.338 GPRESSURE: 1292000 -160.067 -43.7453 124.289 46.666 -236.776 151.632 -73.8094 152.339 178.739 PRESSAVG: 1292000 34.5267 -55.6956 12.0831 -55.6955 -9.68199 -31.0915 12.0831 -31.0915 -3.10092 GPRESSAVG: 1292000 36.3779 -54.9417 11.0811 -55.7196 -10.2395 -32.5001 11.1668 -28.8342 -3.84051 TIMING: 1292000 CPU: 4083.38, 0.00314715/step Wall: 4083.38, 0.00314715/step, 3.24157 hours remaining, 234.636719 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: 1292000 3986.6929 20382.8131 14439.0230 237.0636 -203115.4480 2367.0783 0.0000 0.0000 52030.2355 -109672.5415 299.0185 -161702.7770 -109310.5173 298.4658 -106.3644 -72.7013 762203.0890 7.2479 7.4327 PRESSURE: 1292200 18.3756 -220.826 8.92875 -220.825 -11.4791 120.243 8.9285 120.242 -83.3299 GPRESSURE: 1292200 -12.4572 -190.488 11.1619 -103.159 125.144 48.8542 -96.0205 94.6327 -104.414 PRESSAVG: 1292200 26.1307 -28.5973 -12.5555 -28.5973 -16.461 51.7141 -12.5555 51.7142 -3.85688 GPRESSAVG: 1292200 25.7489 -30.6588 -12.5085 -27.2195 -15.6521 51.8187 -9.78618 52.204 -3.8464 TIMING: 1292200 CPU: 4084.01, 0.00314843/step Wall: 4084.01, 0.00314843/step, 3.24271 hours remaining, 234.636719 MB of memory in use. ENERGY: 1292200 4004.1275 20415.3859 14506.1444 232.1448 -203161.3671 2640.6375 0.0000 0.0000 51815.9542 -109546.9729 297.7870 -161362.9271 -109191.4402 298.2593 -25.4778 2.7576 763176.7267 1.9376 2.0835 LDB: ============= START OF LOAD BALANCING ============== 4096.54 LDB: ============== END OF LOAD BALANCING =============== 4096.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4096.54 LDB: ============= START OF LOAD BALANCING ============== 4096.86 LDB: Largest compute 7059 load 0.030854 is 15.8% of average load 0.195342 LDB: Average compute 0.004408 is 2.3% of average load 0.195342 LDB: TIME 4096.86 LOAD: AVG 0.195342 MAX 0.214859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.234 MB LDB: TIME 4096.86 LOAD: AVG 0.195342 MAX 0.214859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: TIME 4096.86 LOAD: AVG 0.195342 MAX 0.214859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.238 MB LDB: ============== END OF LOAD BALANCING =============== 4096.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4096.87 PRESSURE: 1292400 -18.7416 -9.38113 -115.226 -9.38158 -179.508 -197.631 -115.226 -197.63 -43.412 GPRESSURE: 1292400 -23.2061 -2.9867 -72.8169 -102.965 -117.023 -109.617 -113.592 -151.44 8.31563 PRESSAVG: 1292400 -9.8302 -52.6783 10.9002 -52.6783 3.1625 37.7411 10.9002 37.7411 -8.41741 GPRESSAVG: 1292400 -8.89364 -50.4372 13.6098 -56.4445 3.14835 38.3504 8.84008 36.7307 -9.1556 TIMING: 1292400 CPU: 4084.65, 0.00321897/step Wall: 4084.65, 0.00321897/step, 3.31518 hours remaining, 235.191406 MB of memory in use. ENERGY: 1292400 3871.9170 20575.3457 14543.0776 246.7740 -203412.3283 2709.7350 0.0000 0.0000 52059.0062 -109406.4728 299.1838 -161465.4790 -109049.0780 298.6538 -80.5539 -43.9711 764842.2996 -5.0284 -4.9670 PRESSURE: 1292600 14.5871 115.862 -150.835 115.863 -137.303 125.582 -150.835 125.582 166.544 GPRESSURE: 1292600 -70.845 46.4824 -190.727 158.911 -46.2804 90.4261 -136.472 -35.7726 232.726 PRESSAVG: 1292600 17.3175 23.6951 -20.4184 23.6951 -25.9902 -0.567662 -20.4184 -0.567724 -5.10834 GPRESSAVG: 1292600 15.8091 21.9156 -23.048 26.0718 -25.6224 -1.26634 -20.5526 0.418885 -4.22233 TIMING: 1292600 CPU: 4085.29, 0.00316124/step Wall: 4085.29, 0.00316124/step, 3.25555 hours remaining, 235.386719 MB of memory in use. ENERGY: 1292600 3961.4683 20491.5251 14503.3013 258.4259 -202946.5729 2558.9686 0.0000 0.0000 51790.6791 -109382.2046 297.6417 -161172.8837 -109025.4986 298.9013 14.6093 38.5335 763310.6776 -4.5937 -4.6785 PRESSURE: 1292800 -427.074 67.2423 103.72 67.2417 75.2461 139.269 103.719 139.269 -305.245 GPRESSURE: 1292800 -384.084 110.044 39.7288 -29.9606 100.162 157.993 105.364 57.0592 -274.867 PRESSAVG: 1292800 49.8827 -43.7219 -85.2395 -43.7219 -46.8253 -20.4676 -85.2395 -20.4676 25.5629 GPRESSAVG: 1292800 51.3283 -43.5512 -83.5319 -43.3952 -48.1138 -19.8222 -85.7516 -21.7067 26.0277 TIMING: 1292800 CPU: 4085.92, 0.00316844/step Wall: 4085.92, 0.00316844/step, 3.26279 hours remaining, 235.386719 MB of memory in use. ENERGY: 1292800 4031.0507 20461.4381 14456.6493 237.9668 -203136.0314 2654.1094 0.0000 0.0000 51862.8210 -109431.9961 298.0563 -161294.8171 -109075.7577 298.6083 -219.0241 -186.2632 763275.7136 9.5401 9.7474 PRESSURE: 1293000 6.30498 -67.2916 141.313 -67.2918 -430.007 -54.8466 141.312 -54.8467 -153.804 GPRESSURE: 1293000 139.998 -48.968 204.85 -78.4542 -357.34 -46.389 104.621 75.2153 -254.808 PRESSAVG: 1293000 34.32 -17.197 -2.35423 -17.1971 -22.8633 43.3093 -2.35425 43.3092 12.2222 GPRESSAVG: 1293000 33.712 -16.2489 -3.08383 -19.7242 -20.992 42.851 -1.76389 46.0233 10.887 TIMING: 1293000 CPU: 4086.55, 0.0031638/step Wall: 4086.55, 0.0031638/step, 3.25784 hours remaining, 235.386719 MB of memory in use. ENERGY: 1293000 4033.9165 20548.2634 14551.1407 250.0758 -203322.4166 2546.6142 0.0000 0.0000 52158.7331 -109233.6730 299.7570 -161392.4061 -108881.8310 298.9770 -192.5019 -157.3833 762830.5836 7.8930 7.8690 PRESSURE: 1293200 -52.9338 -23.135 244.274 -23.1352 82.5724 -10.2947 244.273 -10.2946 110.271 GPRESSURE: 1293200 -39.9297 -85.1005 243.459 13.9711 87.1124 -4.06561 184.106 22.2577 178.358 PRESSAVG: 1293200 70.3471 -26.1694 -52.2601 -26.1694 -111.265 67.1384 -52.2601 67.1383 9.96252 GPRESSAVG: 1293200 71.1792 -26.1412 -51.9034 -24.8531 -112.841 67.0141 -53.4528 66.3065 10.4707 TIMING: 1293200 CPU: 4087.18, 0.00315564/step Wall: 4087.18, 0.00315564/step, 3.24926 hours remaining, 235.453125 MB of memory in use. ENERGY: 1293200 3920.6416 20456.5772 14521.0310 269.5858 -203163.2856 2762.8055 0.0000 0.0000 51873.5515 -109359.0929 298.1180 -161232.6444 -109005.2230 299.2612 46.6364 75.1804 762591.6281 -10.3186 -10.3970 PRESSURE: 1293400 -41.9041 22.3499 -85.2387 22.3491 -66.6689 -22.0543 -85.2389 -22.0553 -321.464 GPRESSURE: 1293400 -8.50626 -50.1535 -64.75 165.01 -65.1969 -13.8383 17.2374 51.6062 -268.334 PRESSAVG: 1293400 83.4053 37.3837 -8.82938 37.3837 -45.6101 74.8578 -8.82947 74.8579 -4.70272 GPRESSAVG: 1293400 82.6249 37.1287 -8.27029 38.4508 -44.7096 74.988 -8.15689 75.5165 -4.08882 TIMING: 1293400 CPU: 4087.81, 0.00315916/step Wall: 4087.81, 0.00315916/step, 3.25271 hours remaining, 235.453125 MB of memory in use. ENERGY: 1293400 3959.3625 20445.3765 14486.9373 254.1015 -202942.6367 2496.8993 0.0000 0.0000 51850.7773 -109449.1823 297.9871 -161299.9596 -109075.3898 299.1159 -143.3455 -114.0123 762786.5464 11.0308 11.2755 PRESSURE: 1293600 -181.056 -86.2567 67.6836 -86.2569 -78.4426 -127.859 67.6835 -127.86 -229.678 GPRESSURE: 1293600 -172.732 -13.4675 61.4576 46.0872 -17.7357 -128.078 3.28715 1.24522 -224.638 PRESSAVG: 1293600 5.97883 -4.06769 -31.5706 -4.06766 -22.2954 61.321 -31.5706 61.3209 -24.7124 GPRESSAVG: 1293600 7.2084 -4.2107 -32.2715 -4.02081 -23.4015 62.5517 -31.4662 61.452 -24.4677 TIMING: 1293600 CPU: 4088.45, 0.00315461/step Wall: 4088.45, 0.00315461/step, 3.24785 hours remaining, 235.453125 MB of memory in use. ENERGY: 1293600 3966.2587 20385.9473 14487.2205 251.5126 -203247.6221 2493.2859 0.0000 0.0000 52107.9306 -109555.4665 299.4650 -161663.3971 -109189.2491 298.6954 -163.0589 -138.3688 761887.4835 -13.6763 -13.5536 PRESSURE: 1293800 135.148 -265.024 -75.1407 -265.024 -19.1776 161.386 -75.1406 161.387 153.992 GPRESSURE: 1293800 122.095 -187.169 -76.8896 -197.038 16.7321 -1.14431 21.1171 71.5248 209.786 PRESSAVG: 1293800 30.9271 -66.5091 -23.2641 -66.5091 -26.6941 -1.95074 -23.2641 -1.95079 -12.0641 GPRESSAVG: 1293800 29.874 -67.1436 -23.7531 -67.5932 -25.2063 -3.77356 -22.7712 -2.6379 -12.3115 TIMING: 1293800 CPU: 4089.07, 0.0031429/step Wall: 4089.07, 0.0031429/step, 3.23562 hours remaining, 235.453125 MB of memory in use. ENERGY: 1293800 3957.9275 20433.3541 14522.2618 249.6866 -203624.9152 2970.7485 0.0000 0.0000 51938.5870 -109552.3497 298.4918 -161490.9367 -109194.6249 298.7379 89.9875 116.2044 759527.2317 -2.6104 -2.5479 PRESSURE: 1294000 -48.1236 -20.9467 107.522 -20.9467 95.489 157.42 107.521 157.422 -300.898 GPRESSURE: 1294000 -65.1962 -86.245 168.366 46.7308 130.051 165.119 62.1531 104.282 -251.243 PRESSAVG: 1294000 31.7085 -43.3248 7.58526 -43.3249 -42.5045 -30.2409 7.58526 -30.2409 34.2321 GPRESSAVG: 1294000 31.7011 -42.5251 10.1152 -43.4566 -42.6843 -28.4154 6.50677 -29.9553 34.4535 TIMING: 1294000 CPU: 4089.71, 0.00316343/step Wall: 4089.71, 0.00316343/step, 3.25658 hours remaining, 235.453125 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: 1294000 3905.9408 20400.5201 14498.8603 230.0600 -203462.5289 2864.8913 0.0000 0.0000 51963.2045 -109599.0519 298.6333 -161562.2564 -109242.5163 298.8311 -84.5107 -62.1295 761032.4297 7.8120 7.8234 PRESSURE: 1294200 -165.899 -72.3731 89.7592 -72.373 -275.653 213.367 89.7583 213.368 -51.8345 GPRESSURE: 1294200 -125.353 -69.9856 114.386 -70.9403 -254.832 159.63 21.6266 107.118 -11.9669 PRESSAVG: 1294200 39.0679 -2.25499 54.4392 -2.25508 -37.5237 -41.0393 54.4392 -41.0394 -19.0401 GPRESSAVG: 1294200 39.9203 -1.64893 51.9683 -2.44577 -37.9566 -41.2826 54.2511 -42.5187 -19.5834 TIMING: 1294200 CPU: 4090.34, 0.00316815/step Wall: 4090.34, 0.00316815/step, 3.26125 hours remaining, 235.453125 MB of memory in use. ENERGY: 1294200 3939.8662 20446.6074 14495.6910 256.7932 -202966.5347 2432.3333 0.0000 0.0000 51984.4370 -109410.8066 298.7553 -161395.2436 -109054.5195 298.4167 -164.4623 -130.7174 762887.4255 -5.8320 -5.8732 PRESSURE: 1294400 265.568 58.3669 28.874 58.3674 6.05552 -17.6269 28.8748 -17.6282 -58.0041 GPRESSURE: 1294400 292.762 23.8069 36.7617 84.927 124.347 26.3814 -10.8243 -4.91023 -80.7113 PRESSAVG: 1294400 74.6302 10.1707 31.004 10.1707 -55.7552 -34.6417 31.004 -34.6416 1.83685 GPRESSAVG: 1294400 73.3234 10.2691 30.7256 10.944 -54.6644 -35.1083 30.1128 -32.8303 1.933 TIMING: 1294400 CPU: 4090.97, 0.00315866/step Wall: 4090.97, 0.00315866/step, 3.25131 hours remaining, 235.453125 MB of memory in use. ENERGY: 1294400 3936.8440 20289.2675 14478.0850 257.4567 -203159.0201 2632.8838 0.0000 0.0000 52138.9441 -109425.5390 299.6432 -161564.4831 -109054.7445 298.6275 71.2065 112.1326 761454.1355 6.9040 6.8640 PRESSURE: 1294600 -44.3954 -182.315 -138.55 -182.315 222.404 -154.705 -138.551 -154.706 219.376 GPRESSURE: 1294600 82.5834 -134.952 -80.0059 -278.262 222.927 -119.166 -233.939 -139.678 169.028 PRESSAVG: 1294600 36.8573 -12.7138 48.5527 -12.7138 -30.5683 8.43252 48.5528 8.43253 2.41911 GPRESSAVG: 1294600 38.0208 -12.4164 49.6242 -14.0578 -32.2683 8.37987 50.2793 7.23696 2.56642 TIMING: 1294600 CPU: 4091.6, 0.00315142/step Wall: 4091.6, 0.00315142/step, 3.24369 hours remaining, 235.453125 MB of memory in use. ENERGY: 1294600 3932.6043 20454.0243 14490.3276 230.5598 -203148.7926 2494.9871 0.0000 0.0000 52258.6221 -109287.6674 300.3310 -161546.2895 -108921.4993 299.2444 132.4616 158.1794 760454.7164 2.9027 2.7730 PRESSURE: 1294800 -83.8957 200.536 276.71 200.536 52.7622 111.126 276.71 111.126 283.241 GPRESSURE: 1294800 -90.8795 146.549 232.629 201.458 139.304 36.3379 233.417 47.7393 270.981 PRESSAVG: 1294800 3.57564 -21.1343 15.3802 -21.1343 -39.4659 5.59507 15.3802 5.59511 23.6527 GPRESSAVG: 1294800 1.8298 -24.4153 14.821 -19.2142 -38.6482 5.74827 13.8573 5.3427 24.2136 TIMING: 1294800 CPU: 4092.24, 0.00316993/step Wall: 4092.24, 0.00316993/step, 3.26256 hours remaining, 235.453125 MB of memory in use. ENERGY: 1294800 4026.4448 20432.5749 14519.9490 251.8001 -203310.0769 2865.6497 0.0000 0.0000 51954.3225 -109259.3358 298.5822 -161213.6583 -108889.7700 299.2575 84.0358 106.4688 763070.8168 -4.0792 -4.2016 PRESSURE: 1295000 -43.7127 -13.7374 -193.215 -13.737 178.389 273.554 -193.216 273.554 353.831 GPRESSURE: 1295000 9.71405 -43.6144 -120.729 -44.5467 251.423 248.862 -187.073 257.554 309.707 PRESSAVG: 1295000 32.9466 -20.5217 -45.4772 -20.5217 13.8717 -13.6187 -45.4773 -13.6186 -9.4324 GPRESSAVG: 1295000 33.0728 -16.8744 -42.8911 -21.1328 14.2081 -12.4821 -45.2918 -14.1305 -9.72319 TIMING: 1295000 CPU: 4092.87, 0.00319193/step Wall: 4092.87, 0.00319193/step, 3.28503 hours remaining, 235.453125 MB of memory in use. ENERGY: 1295000 3991.1721 20403.5240 14517.9103 233.5908 -203525.2441 2809.1562 0.0000 0.0000 52259.8788 -109310.0119 300.3382 -161569.8907 -108950.0660 299.3699 162.8360 190.2815 762175.5390 12.4620 12.5192 PRESSURE: 1295200 -118.979 -143.48 203.063 -143.479 49.3168 -136.013 203.064 -136.012 451.701 GPRESSURE: 1295200 6.52864 -169.363 216.989 -168.076 -2.03903 -220.606 202.894 -165.069 460.105 PRESSAVG: 1295200 -32.0639 -22.81 27.7919 -22.8099 26.6405 5.58333 27.792 5.58328 12.407 GPRESSAVG: 1295200 -31.0421 -22.0173 26.9677 -22.3253 24.8837 3.11662 27.5679 7.84323 12.9582 TIMING: 1295200 CPU: 4093.51, 0.00319927/step Wall: 4093.51, 0.00319927/step, 3.29241 hours remaining, 235.453125 MB of memory in use. ENERGY: 1295200 4007.8683 20678.6008 14450.8279 251.9308 -203380.0100 2733.6920 0.0000 0.0000 52027.8721 -109229.2180 299.0049 -161257.0902 -108868.2079 299.2638 127.3462 154.8647 763328.8585 2.3279 2.2666 PRESSURE: 1295400 -221.705 73.0522 64.1206 73.0519 118.397 121.197 64.1202 121.197 -164.319 GPRESSURE: 1295400 -184.661 59.2394 -25.5609 4.9525 127.142 72.0006 39.9285 134.428 -130.057 PRESSAVG: 1295400 37.6179 -8.95181 26.7182 -8.95183 -55.2737 43.5772 26.7182 43.5773 7.03935 GPRESSAVG: 1295400 39.1972 -11.0998 25.0442 -10.8604 -56.3042 43.5242 28.5072 43.1071 6.06486 TIMING: 1295400 CPU: 4094.15, 0.00319485/step Wall: 4094.15, 0.00319485/step, 3.28768 hours remaining, 235.453125 MB of memory in use. ENERGY: 1295400 3955.0748 20604.3247 14570.1495 267.4385 -203372.2520 2772.7086 0.0000 0.0000 52033.2983 -109169.2576 299.0361 -161202.5559 -108816.3270 299.6209 -89.2089 -62.5255 762450.8557 -3.5388 -3.6807 PRESSURE: 1295600 -226.542 -184.797 2.54487 -184.796 -540.97 -6.31246 2.54415 -6.31247 -411.271 GPRESSURE: 1295600 -148.935 -122.158 147.381 -204.399 -417.363 21.906 2.41005 -10.6465 -519.077 PRESSAVG: 1295600 49.1781 -27.8838 35.7882 -27.8837 -39.0323 -11.7402 35.7881 -11.7401 26.2887 GPRESSAVG: 1295600 47.5404 -25.7957 35.9234 -27.2602 -36.9777 -10.7355 36.9125 -14.1763 25.4508 TIMING: 1295600 CPU: 4094.79, 0.00316182/step Wall: 4094.79, 0.00316182/step, 3.25352 hours remaining, 235.453125 MB of memory in use. ENERGY: 1295600 4029.9952 20502.9310 14485.1866 250.3738 -202896.2811 2335.6892 0.0000 0.0000 51982.1409 -109309.9644 298.7421 -161292.1053 -108950.6348 299.6931 -392.9277 -361.7919 763276.3894 12.1448 12.0045 PRESSURE: 1295800 -143.874 -110.657 103.168 -110.657 21.0492 99.6839 103.168 99.6829 -431.952 GPRESSURE: 1295800 -89.3677 -59.396 134.722 -143.226 14.4832 65.0716 149.42 44.6541 -400.321 PRESSAVG: 1295800 35.9202 -33.6954 41.14 -33.6954 -88.9912 41.2295 41.14 41.2295 -0.350237 GPRESSAVG: 1295800 33.7847 -35.8325 41.0412 -32.6297 -88.4408 43.0148 41.8303 41.3274 0.855418 TIMING: 1295800 CPU: 4095.42, 0.00314838/step Wall: 4095.42, 0.00314838/step, 3.23951 hours remaining, 235.453125 MB of memory in use. ENERGY: 1295800 3978.5571 20437.5684 14468.3342 250.1089 -203625.8616 2739.4265 0.0000 0.0000 52304.5741 -109447.2924 300.5951 -161751.8665 -109086.1981 298.8712 -184.9256 -158.4018 762780.9602 -17.8071 -17.9336 PRESSURE: 1296000 369.036 -115.045 -34.9666 -115.046 -107.744 -223.012 -34.967 -223.012 186.852 GPRESSURE: 1296000 379.609 -144.791 -142.373 -108.757 -119.546 -191.661 61.7783 -92.8147 283.701 PRESSAVG: 1296000 56.0559 1.17972 36.1596 1.17969 -15.5765 55.6231 36.1596 55.6231 -11.9484 GPRESSAVG: 1296000 57.2389 1.33347 35.9521 -0.819905 -17.0636 54.4503 34.6949 56.1634 -11.3987 TIMING: 1296000 CPU: 4096.05, 0.00314878/step Wall: 4096.05, 0.00314878/step, 3.23974 hours remaining, 235.453125 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: 1296000 3952.2493 20413.5657 14600.8464 235.8515 -203580.6125 2828.9904 0.0000 0.0000 52112.6758 -109436.4334 299.4923 -161549.1092 -109062.6494 299.6165 149.3809 181.2546 761843.5921 9.5103 9.5922 PRESSURE: 1296200 314.845 163.913 191.931 163.913 303.392 35.2699 191.931 35.2695 448.611 GPRESSURE: 1296200 321.03 142.537 187.271 265.592 430.235 -23.7262 232.884 33.2144 395.815 PRESSAVG: 1296200 61.0854 -12.9409 -4.56766 -12.9408 -67.8135 34.4847 -4.56772 34.4848 4.1305 GPRESSAVG: 1296200 62.2328 -14.1105 -5.48504 -10.1172 -67.0241 34.4294 -2.76292 34.5647 2.25642 TIMING: 1296200 CPU: 4096.68, 0.00316131/step Wall: 4096.68, 0.00316131/step, 3.25246 hours remaining, 235.453125 MB of memory in use. ENERGY: 1296200 3982.3597 20425.5701 14494.8813 250.5267 -203770.8039 2968.3142 0.0000 0.0000 51953.3932 -109695.7586 298.5769 -161649.1518 -109341.0205 298.8548 355.6159 382.3603 762606.9785 -0.8659 -0.8449 LDB: ============= START OF LOAD BALANCING ============== 4109.21 LDB: ============== END OF LOAD BALANCING =============== 4109.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4109.21 LDB: ============= START OF LOAD BALANCING ============== 4109.53 LDB: Largest compute 7042 load 0.030794 is 15.8% of average load 0.195448 LDB: Average compute 0.004404 is 2.3% of average load 0.195448 LDB: TIME 4109.53 LOAD: AVG 0.195448 MAX 0.216327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.734 MB LDB: TIME 4109.53 LOAD: AVG 0.195448 MAX 0.216327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.734 MB LDB: TIME 4109.53 LOAD: AVG 0.195448 MAX 0.216327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.734 MB LDB: ============== END OF LOAD BALANCING =============== 4109.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4109.54 PRESSURE: 1296400 90.7343 -11.9177 79.8027 -11.9177 74.0168 20.0262 79.8024 20.0267 -118.526 GPRESSURE: 1296400 42.2868 -141.427 20.8338 -74.2605 83.84 11.3513 -23.1076 32.0823 -10.6027 PRESSAVG: 1296400 84.4265 -17.1112 35.6164 -17.1113 -62.3313 1.30827 35.6164 1.30832 -9.76219 GPRESSAVG: 1296400 82.3712 -16.4267 37.0055 -17.3323 -61.9297 -0.451389 31.6456 2.97388 -8.34147 TIMING: 1296400 CPU: 4097.32, 0.00322167/step Wall: 4097.32, 0.00322167/step, 3.31438 hours remaining, 233.648438 MB of memory in use. ENERGY: 1296400 4013.1849 20366.1447 14529.3175 249.6615 -203398.8062 2501.3351 0.0000 0.0000 52071.9069 -109667.2556 299.2580 -161739.1624 -109309.1498 298.6406 15.4083 38.5080 761507.9921 4.1110 4.0334 PRESSURE: 1296600 -322.388 -147.168 145.615 -147.167 -71.0764 -110.504 145.615 -110.503 117.362 GPRESSURE: 1296600 -206.968 -105.422 100.014 -138.82 -78.3618 -29.5487 68.0077 -196.628 108.339 PRESSAVG: 1296600 12.4447 -21.223 19.8029 -21.2231 -9.48391 16.4432 19.8029 16.4432 -1.60385 GPRESSAVG: 1296600 14.1547 -20.262 19.7728 -21.5173 -9.83721 17.9632 21.7711 15.3867 -2.59877 TIMING: 1296600 CPU: 4097.96, 0.00319859/step Wall: 4097.96, 0.00319859/step, 3.29046 hours remaining, 233.648438 MB of memory in use. ENERGY: 1296600 3870.2016 20248.0433 14567.0379 227.4774 -202690.2199 2316.2708 0.0000 0.0000 51922.2251 -109538.9638 298.3977 -161461.1889 -109173.4746 298.7367 -92.0341 -58.9970 762871.0570 0.4523 0.5729 PRESSURE: 1296800 215.349 -46.9962 28.201 -46.9958 -218.162 60.4844 28.2019 60.4839 51.5796 GPRESSURE: 1296800 161.657 -88.0165 36.9032 -37.6185 -106.133 118.449 -76.2402 22.4178 82.6636 PRESSAVG: 1296800 33.3781 28.0771 28.3488 28.0772 -8.61497 54.0294 28.3489 54.0295 10.3009 GPRESSAVG: 1296800 33.3581 28.4519 27.549 28.4225 -8.93095 53.0258 28.3976 53.4821 11.11 TIMING: 1296800 CPU: 4098.59, 0.00316278/step Wall: 4098.59, 0.00316278/step, 3.25345 hours remaining, 233.851562 MB of memory in use. ENERGY: 1296800 3970.6582 20249.4687 14610.5475 256.0946 -203183.1744 2686.2958 0.0000 0.0000 52011.3574 -109398.7522 298.9100 -161410.1096 -109037.9673 298.4533 16.2556 46.0624 761800.0627 11.6880 11.8457 PRESSURE: 1297000 -75.7739 156.363 -41.6401 156.363 -313.938 -184.067 -41.6401 -184.067 -361.031 GPRESSURE: 1297000 18.9964 52.3694 -89.9156 44.1405 -342.795 -146.491 -26.7719 -51.8775 -359.38 PRESSAVG: 1297000 48.282 -10.2671 22.7011 -10.2671 -29.9274 -12.2124 22.7011 -12.2124 4.90782 GPRESSAVG: 1297000 47.6867 -12.9013 25.4184 -10.8524 -30.5589 -11.2872 21.4633 -9.88588 5.78064 TIMING: 1297000 CPU: 4099.23, 0.00317754/step Wall: 4099.23, 0.00317754/step, 3.26845 hours remaining, 233.851562 MB of memory in use. ENERGY: 1297000 3960.7962 20486.5598 14650.6734 256.9613 -203173.0826 2653.9199 0.0000 0.0000 51852.2302 -109311.9417 297.9955 -161164.1719 -108954.1054 298.8874 -250.2477 -227.7262 760841.8453 7.7542 7.6361 PRESSURE: 1297200 137.982 -105.796 -94.2821 -105.796 54.0741 -22.8956 -94.2826 -22.897 48.4491 GPRESSURE: 1297200 198.397 -152.225 -143.875 -36.3301 61.4883 10.1993 -44.9732 -112.46 52.5653 PRESSAVG: 1297200 102.027 -25.4303 57.562 -25.4303 -41.2599 18.5884 57.562 18.5883 12.2668 GPRESSAVG: 1297200 102.145 -23.7161 55.52 -24.5686 -40.6548 16.6778 58.8134 17.3165 11.2606 TIMING: 1297200 CPU: 4099.86, 0.00316379/step Wall: 4099.86, 0.00316379/step, 3.25413 hours remaining, 233.851562 MB of memory in use. ENERGY: 1297200 3899.9237 20504.3705 14517.6424 230.2426 -202977.6316 2607.0572 0.0000 0.0000 51786.2898 -109432.1053 297.6165 -161218.3951 -109075.7015 298.7766 80.1684 104.1503 762496.5518 24.3447 24.2501 PRESSURE: 1297400 21.1302 -149.964 18.4071 -149.965 -295.681 -92.9142 18.4068 -92.9138 139.004 GPRESSURE: 1297400 39.2526 -123.702 117.48 -202.488 -242.836 -136.871 -89.4519 -208.472 141.471 PRESSAVG: 1297400 14.4128 -22.3271 -58.0602 -22.3271 -58.3273 3.25823 -58.0602 3.25813 -22.5903 GPRESSAVG: 1297400 14.0175 -22.2159 -57.3744 -24.0441 -57.3539 4.78358 -56.1531 2.33457 -22.6269 TIMING: 1297400 CPU: 4100.49, 0.00315186/step Wall: 4100.49, 0.00315186/step, 3.24169 hours remaining, 233.851562 MB of memory in use. ENERGY: 1297400 3949.2254 20540.1818 14560.9757 249.3391 -203556.6690 2701.5635 0.0000 0.0000 51931.9670 -109623.4165 298.4537 -161555.3836 -109269.7493 298.6071 -45.1823 -20.7040 761413.2245 -22.1683 -21.9878 PRESSURE: 1297600 191.672 322.702 90.4984 322.701 148.708 45.8088 90.4981 45.8093 -303.12 GPRESSURE: 1297600 122.406 335.214 164.124 469.45 248.02 95.3784 85.442 63.0091 -257.729 PRESSAVG: 1297600 82.3625 7.98615 17.3121 7.98616 -22.2312 0.609673 17.312 0.609741 2.28073 GPRESSAVG: 1297600 82.6565 6.76214 17.4382 8.67616 -21.9873 0.494878 15.3388 2.479 2.34589 TIMING: 1297600 CPU: 4101.12, 0.00313308/step Wall: 4101.12, 0.00313308/step, 3.2222 hours remaining, 233.851562 MB of memory in use. ENERGY: 1297600 4016.5665 20441.9320 14529.7313 241.2976 -203248.9122 2396.6962 0.0000 0.0000 51772.6633 -109850.0252 297.5382 -161622.6885 -109503.9174 298.4846 12.4198 37.5657 760829.5689 20.8040 21.0050 PRESSURE: 1297800 -88.4992 -218.801 -81.8392 -218.801 -101.727 214.434 -81.838 214.434 -107.101 GPRESSURE: 1297800 -53.3667 -251.287 -56.918 -156.52 -96.4647 137.458 -78.4737 187.701 -35.1764 PRESSAVG: 1297800 44.1479 -62.0358 18.7541 -62.0357 -23.2728 -47.0706 18.7541 -47.0706 3.60901 GPRESSAVG: 1297800 44.1821 -61.8162 19.1019 -62.2686 -23.173 -46.9988 17.6961 -46.8408 4.10702 TIMING: 1297800 CPU: 4101.75, 0.00317138/step Wall: 4101.75, 0.00317138/step, 3.26141 hours remaining, 233.851562 MB of memory in use. ENERGY: 1297800 3926.4848 20432.0767 14509.6885 256.8182 -203156.6295 2461.9487 0.0000 0.0000 51944.2603 -109625.3523 298.5244 -161569.6126 -109260.0510 298.8119 -99.1092 -61.6693 760143.3515 8.1614 8.3720 PRESSURE: 1298000 -177.407 -67.0968 -61.8258 -67.0967 -501.828 -96.9162 -61.8254 -96.9166 43.1979 GPRESSURE: 1298000 -144.31 -111.57 -39.5365 -46.389 -305.594 1.58718 -98.7184 -192.276 -110.473 PRESSAVG: 1298000 -46.2028 -24.8388 -0.057909 -24.8388 7.21295 -43.0541 -0.0578945 -43.0541 1.93041 GPRESSAVG: 1298000 -45.6168 -22.5853 -0.854051 -26.661 6.95993 -43.5015 1.37255 -42.4154 1.56162 TIMING: 1298000 CPU: 4102.39, 0.0031831/step Wall: 4102.39, 0.0031831/step, 3.27329 hours remaining, 233.851562 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: 1298000 3968.9721 20542.0403 14468.2280 230.5242 -203431.7276 2447.0314 0.0000 0.0000 52281.2040 -109493.7277 300.4608 -161774.9316 -109118.1586 298.9831 -212.0124 -186.7924 762135.0859 -12.3532 -12.3651 PRESSURE: 1298200 6.55308 -235.544 -58.8265 -235.545 -134.058 130.956 -58.8264 130.956 13.3618 GPRESSURE: 1298200 16.1774 -123.598 5.16715 -269.468 -94.3128 240.555 146.511 111.752 68.1815 PRESSAVG: 1298200 8.1347 -25.5016 8.54991 -25.5016 34.3348 -33.5412 8.5499 -33.5411 -6.71026 GPRESSAVG: 1298200 7.38631 -25.2335 9.53924 -24.8447 35.0388 -32.2361 7.01246 -35.4978 -6.27476 TIMING: 1298200 CPU: 4103.02, 0.00316949/step Wall: 4103.02, 0.00316949/step, 3.25911 hours remaining, 233.851562 MB of memory in use. ENERGY: 1298200 3975.0866 20459.4201 14496.1387 239.7066 -203693.2077 2651.0134 0.0000 0.0000 52239.3947 -109632.4475 300.2205 -161871.8422 -109260.3337 299.4640 -38.0477 -3.3179 761215.6409 11.9197 12.0501 PRESSURE: 1298400 102.443 -91.5709 -33.4765 -91.5706 -21.0224 80.4667 -33.4761 80.4665 197.281 GPRESSURE: 1298400 166.164 -228.305 -30.4619 -8.8217 -50.3939 102.183 -160.678 160.521 246.722 PRESSAVG: 1298400 -40.7612 -22.3365 11.5754 -22.3365 39.9967 -50.1843 11.5754 -50.1843 7.07947 GPRESSAVG: 1298400 -40.1094 -22.7785 11.1286 -22.9172 38.8077 -50.3275 12.0232 -47.8305 7.42174 TIMING: 1298400 CPU: 4103.66, 0.00316829/step Wall: 4103.66, 0.00316829/step, 3.25771 hours remaining, 233.851562 MB of memory in use. ENERGY: 1298400 3982.6976 20583.5167 14461.6977 226.6342 -203281.8389 2372.3638 0.0000 0.0000 52076.1970 -109578.7321 299.2826 -161654.9291 -109217.1769 299.1876 92.9003 120.8307 759821.8589 2.1050 2.0400 PRESSURE: 1298600 187.751 -135.413 -125.118 -135.413 266.375 -9.02211 -125.117 -9.02244 315.541 GPRESSURE: 1298600 195.958 -180.554 -117.894 -276.959 320.329 -23.2787 -101.342 83.8148 331.801 PRESSAVG: 1298600 44.097 -3.74912 17.554 -3.74916 -78.4544 -12.7226 17.554 -12.7226 29.6174 GPRESSAVG: 1298600 44.9578 -5.50229 16.2963 -1.3411 -78.1707 -14.9622 18.8451 -12.4556 27.9841 TIMING: 1298600 CPU: 4104.29, 0.00316358/step Wall: 4104.29, 0.00316358/step, 3.25268 hours remaining, 233.851562 MB of memory in use. ENERGY: 1298600 4021.1473 20338.4096 14498.7358 257.5011 -203697.7684 2785.9379 0.0000 0.0000 52098.7804 -109697.2563 299.4124 -161796.0368 -109321.6703 298.5208 256.5559 282.6962 760328.8842 -1.5800 -1.7429 PRESSURE: 1298800 161.868 -110.967 46.9972 -110.967 -2.92202 38.9802 46.9971 38.98 -93.1395 GPRESSURE: 1298800 163.933 -164.182 125.971 -100.517 -7.07138 11.3247 -29.0676 19.5509 1.95092 PRESSAVG: 1298800 21.0322 -33.3368 54.4443 -33.3369 -0.142612 20.0287 54.4443 20.0287 -22.9668 GPRESSAVG: 1298800 19.839 -31.4201 55.1135 -35.6877 -0.152427 22.6413 54.7307 16.4417 -21.7276 TIMING: 1298800 CPU: 4104.92, 0.0031643/step Wall: 4104.92, 0.0031643/step, 3.25325 hours remaining, 233.851562 MB of memory in use. ENERGY: 1298800 3961.2688 20586.2701 14585.2099 249.9434 -203756.8246 2777.9914 0.0000 0.0000 51990.7373 -109605.4037 298.7915 -161596.1410 -109246.0313 299.1302 21.9356 52.9375 761030.9502 -0.6924 -0.6803 PRESSURE: 1299000 -419.996 -261.749 63.8175 -261.749 114.092 10.6529 63.8171 10.6528 -111.029 GPRESSURE: 1299000 -306.482 -134.955 -15.7062 -209.87 76.3576 23.8234 253.555 -20.2396 -104.976 PRESSAVG: 1299000 -4.16978 -11.8013 14.4244 -11.8013 -2.58722 -5.55746 14.4244 -5.55755 -1.83204 GPRESSAVG: 1299000 -3.56391 -11.2628 13.7527 -9.08535 -4.37985 -8.99807 14.1347 -3.69893 -0.859207 TIMING: 1299000 CPU: 4105.56, 0.00316536/step Wall: 4105.56, 0.00316536/step, 3.25417 hours remaining, 233.851562 MB of memory in use. ENERGY: 1299000 3979.1564 20649.3798 14472.8904 255.1576 -203213.5495 2252.1742 0.0000 0.0000 52092.1366 -109512.6545 299.3742 -161604.7912 -109136.8997 299.3728 -138.9778 -111.7003 760435.3182 -2.8630 -2.9343 PRESSURE: 1299200 263.579 0.733001 83.6051 0.732391 305.66 -68.4214 83.6051 -68.4202 135.682 GPRESSURE: 1299200 325.61 79.2417 109.949 107.025 307.495 14.3826 -45.2976 -76.6619 136.025 PRESSAVG: 1299200 30.6849 3.56842 -2.63095 3.56837 -43.2594 -4.59382 -2.63099 -4.59387 4.34034 GPRESSAVG: 1299200 31.7324 1.84933 -2.91892 3.24525 -42.7952 -1.66995 -2.30352 -4.15324 2.55578 TIMING: 1299200 CPU: 4106.19, 0.00316877/step Wall: 4106.19, 0.00316877/step, 3.25749 hours remaining, 233.851562 MB of memory in use. ENERGY: 1299200 3907.2764 20783.4412 14539.7874 243.1812 -203777.1831 2542.7540 0.0000 0.0000 52341.3905 -109419.3525 300.8067 -161760.7430 -109056.2708 299.4918 234.9738 256.3765 759918.2202 -2.7447 -2.8357 PRESSURE: 1299400 95.3907 81.7729 -37.2863 81.7726 -101.378 -161.441 -37.2868 -161.442 -84.5216 GPRESSURE: 1299400 162.591 164.272 -95.296 -30.8665 -42.1652 -165.003 -94.3149 -270.781 -114.874 PRESSAVG: 1299400 58.3758 7.57365 -67.9878 7.57359 -27.5509 1.55232 -67.9878 1.55225 -2.37392 GPRESSAVG: 1299400 56.3774 9.34098 -67.9296 8.17218 -26.651 0.330996 -67.0572 0.850684 -1.35398 TIMING: 1299400 CPU: 4106.82, 0.00316875/step Wall: 4106.82, 0.00316875/step, 3.2573 hours remaining, 233.851562 MB of memory in use. ENERGY: 1299400 3994.2764 20615.4488 14505.8967 252.0612 -203766.2682 2733.5735 0.0000 0.0000 52050.9552 -109614.0565 299.1376 -161665.0116 -109245.6798 299.8318 -30.1697 1.8504 761004.0881 9.4837 9.4575 PRESSURE: 1299600 7.87873 102.228 -64.6074 102.228 172.524 283.101 -64.607 283.101 37.2616 GPRESSURE: 1299600 123.222 65.9843 65.6387 47.3029 170.127 208.972 8.79803 289.136 1.49713 PRESSAVG: 1299600 23.9116 -17.3737 -63.1981 -17.3737 24.0529 -9.81229 -63.1982 -9.81239 26.6037 GPRESSAVG: 1299600 23.7781 -17.9925 -62.9228 -18.7407 25.3444 -8.85565 -63.4193 -9.09753 26.1439 TIMING: 1299600 CPU: 4107.46, 0.00316291/step Wall: 4107.46, 0.00316291/step, 3.25112 hours remaining, 233.851562 MB of memory in use. ENERGY: 1299600 4020.5895 20667.8219 14511.0288 263.5934 -203842.0539 2746.4873 0.0000 0.0000 51962.7553 -109669.7777 298.6307 -161632.5330 -109313.9134 299.3986 72.5548 98.2820 759389.5471 24.8561 25.0888 PRESSURE: 1299800 -149.684 -65.4357 -108.948 -65.4365 -213.458 -160.601 -108.948 -160.6 -143.302 GPRESSURE: 1299800 -81.6821 -122.719 -58.4668 -22.5001 -167.092 -134.704 -164.06 -173.905 -162.365 PRESSAVG: 1299800 -22.1454 -34.8535 -63.1741 -34.8536 39.9522 -24.2199 -63.1742 -24.2198 -14.8537 GPRESSAVG: 1299800 -22.1098 -36.6638 -60.2536 -33.9109 40.3058 -24.4416 -65.3471 -24.0969 -15.5768 TIMING: 1299800 CPU: 4108.09, 0.00315529/step Wall: 4108.09, 0.00315529/step, 3.24311 hours remaining, 233.851562 MB of memory in use. ENERGY: 1299800 3909.1566 20566.7731 14548.9047 251.0748 -203536.0900 2464.1358 0.0000 0.0000 51888.5028 -109907.5422 298.2039 -161796.0450 -109534.9466 299.0362 -168.8146 -137.0462 761161.0217 0.9843 0.8731 PRESSURE: 1300000 394.54 -63.2066 155.476 -63.2069 163.144 95.1136 155.476 95.1136 -107.22 GPRESSURE: 1300000 412.334 13.2748 291.894 -160.947 166.801 117.018 61.9114 43.8063 -42.3449 PRESSAVG: 1300000 71.4812 -2.19845 3.35777 -2.19844 -53.1069 -2.73375 3.35776 -2.73369 -13.7691 GPRESSAVG: 1300000 72.238 -1.17469 0.97108 -3.54657 -54.9333 -3.12078 3.68078 -3.62325 -12.3308 TIMING: 1300000 CPU: 4108.72, 0.00316034/step Wall: 4108.72, 0.00316034/step, 3.24813 hours remaining, 233.851562 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: 1300000 3947.7607 20483.1732 14478.7641 246.9296 -203749.3274 2833.7378 0.0000 0.0000 51791.5863 -109967.3756 297.6470 -161758.9620 -109602.1238 298.1991 150.1547 178.9302 760641.9297 1.5351 1.6579 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.1.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 213.213 85.1708 -17.8896 85.1711 39.6844 -252.802 -17.889 -252.802 35.0227 GPRESSURE: 1300200 213.482 -22.7887 48.8663 70.4405 125.99 -176.064 -90.2084 -212.974 25.1145 PRESSAVG: 1300200 40.8821 -26.004 20.6967 -26.004 -40.8384 -65.9156 20.6967 -65.9156 -16.7728 GPRESSAVG: 1300200 40.9813 -25.7349 21.6983 -27.2258 -40.7125 -64.3692 20.0721 -64.4242 -17.0737 TIMING: 1300200 CPU: 4109.37, 0.00325395/step Wall: 4109.37, 0.00325395/step, 3.34415 hours remaining, 233.851562 MB of memory in use. ENERGY: 1300200 3909.1720 20630.2147 14470.0011 255.1901 -204163.5045 2980.7583 0.0000 0.0000 51835.3284 -110082.8398 297.8983 -161918.1682 -109705.6466 298.0884 95.9733 121.5287 761465.0892 -5.5764 -5.6016 LDB: ============= START OF LOAD BALANCING ============== 4121.9 LDB: ============== END OF LOAD BALANCING =============== 4121.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4121.91 LDB: ============= START OF LOAD BALANCING ============== 4122.22 LDB: Largest compute 7061 load 0.030562 is 15.6% of average load 0.195466 LDB: Average compute 0.004411 is 2.3% of average load 0.195466 LDB: TIME 4122.23 LOAD: AVG 0.195466 MAX 0.214202 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.219 MB LDB: TIME 4122.23 LOAD: AVG 0.195466 MAX 0.214202 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: TIME 4122.23 LOAD: AVG 0.195466 MAX 0.214202 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: ============== END OF LOAD BALANCING =============== 4122.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4122.23 PRESSURE: 1300400 189.196 -90.048 -67.5781 -90.0484 237.722 -63.2777 -67.5777 -63.2778 -210.791 GPRESSURE: 1300400 218.98 -65.2595 -110.697 -116.553 190.08 -60.9762 112.564 -93.1116 -114.568 PRESSAVG: 1300400 35.6344 7.71374 33.5022 7.71377 -1.63454 23.0421 33.5022 23.0421 -12.1679 GPRESSAVG: 1300400 36.2835 6.00488 32.897 10.5923 -1.92799 21.1415 34.4366 21.8351 -12.4428 TIMING: 1300400 CPU: 4110.02, 0.00322681/step Wall: 4110.02, 0.00322681/step, 3.31608 hours remaining, 233.445312 MB of memory in use. ENERGY: 1300400 4004.1304 20625.5780 14530.2192 240.0362 -203846.5025 2714.9232 0.0000 0.0000 51779.5654 -109952.0499 297.5779 -161731.6154 -109582.9189 298.0618 72.0422 98.1640 760661.5502 7.2773 7.3042 PRESSURE: 1300600 263.375 -62.8855 -269.481 -62.8859 -185.551 187.364 -269.481 187.363 38.5085 GPRESSURE: 1300600 245.261 -73.9066 -240.653 -61.9635 -182.824 175.909 -132.027 95.1481 133.337 PRESSAVG: 1300600 23.8042 17.7655 18.8379 17.7656 -23.5416 27.5308 18.8379 27.5308 4.20714 GPRESSAVG: 1300600 23.4061 20.1798 17.5295 15.3542 -23.4878 28.4601 20.0809 26.173 4.31256 TIMING: 1300600 CPU: 4110.65, 0.00314679/step Wall: 4110.65, 0.00314679/step, 3.23368 hours remaining, 233.648438 MB of memory in use. ENERGY: 1300600 4028.9988 20496.9605 14458.3272 240.1505 -203500.3116 2532.5925 0.0000 0.0000 51709.1673 -110034.1148 297.1733 -161743.2821 -109674.7785 297.7194 38.7776 65.2581 761157.8604 1.4899 1.4103 PRESSURE: 1300800 -87.7529 32.3364 61.0761 32.3361 61.3359 146.389 61.0759 146.389 -377.635 GPRESSURE: 1300800 37.8813 40.1292 64.2041 -20.363 14.8377 75.5337 -52.525 59.786 -382.749 PRESSAVG: 1300800 24.0841 14.4637 1.79715 14.4636 -28.494 30.5206 1.79713 30.5205 27.8296 GPRESSAVG: 1300800 22.553 11.6974 4.26095 16.761 -27.4839 31.0867 0.0785846 32.326 27.8955 TIMING: 1300800 CPU: 4111.28, 0.00316131/step Wall: 4111.28, 0.00316131/step, 3.24842 hours remaining, 233.648438 MB of memory in use. ENERGY: 1300800 4040.2672 20529.0489 14394.3938 237.9212 -203569.1213 2607.4573 0.0000 0.0000 51844.2048 -109915.8282 297.9494 -161760.0330 -109549.0307 298.1051 -134.6841 -110.0101 761716.7316 7.8066 7.6549 PRESSURE: 1301000 -106.527 -242.98 -48.5095 -242.981 -59.7374 -92.3398 -48.5098 -92.3387 35.4646 GPRESSURE: 1301000 -78.0484 -113.869 -69.1966 -173.498 -39.9565 -109.785 59.0701 -50.8598 60.6963 PRESSAVG: 1301000 54.2573 -29.3055 32.8875 -29.3056 -12.6098 27.883 32.8875 27.883 -13.0725 GPRESSAVG: 1301000 55.5478 -28.2448 32.5169 -28.0853 -14.2172 29.1807 34.0097 29.5064 -13.1436 TIMING: 1301000 CPU: 4111.91, 0.00315377/step Wall: 4111.91, 0.00315377/step, 3.2405 hours remaining, 233.648438 MB of memory in use. ENERGY: 1301000 4016.5863 20367.6856 14494.0637 245.3027 -203262.1357 2401.5924 0.0000 0.0000 51859.4194 -109877.4855 298.0368 -161736.9049 -109526.5512 298.2871 -43.6000 -19.1029 763074.4586 9.5250 9.3957 PRESSURE: 1301200 156.205 -14.6731 73.409 -14.6735 114.732 -42.7459 73.4108 -42.7464 198.402 GPRESSURE: 1301200 266.087 -74.3484 49.7429 -107.544 38.5007 -70.0502 94.3887 -59.4643 245.549 PRESSAVG: 1301200 3.10234 -66.5398 12.8267 -66.5398 14.4654 -25.4717 12.8267 -25.4718 -24.1743 GPRESSAVG: 1301200 4.08172 -64.3638 13.3841 -69.4853 13.391 -27.1304 12.0578 -27.1761 -23.8808 TIMING: 1301200 CPU: 4112.54, 0.00314866/step Wall: 4112.54, 0.00314866/step, 3.23507 hours remaining, 233.648438 MB of memory in use. ENERGY: 1301200 3887.7708 20533.0038 14439.6369 264.6671 -203292.5453 2471.5566 0.0000 0.0000 51767.7383 -109928.1719 297.5099 -161695.9102 -109570.6847 297.9878 156.4463 183.3789 761599.1869 -2.2022 -2.1360 PRESSURE: 1301400 193.226 91.3496 -16.6894 91.3482 -117.301 -214.848 -16.6905 -214.85 213.423 GPRESSURE: 1301400 160.708 68.7116 -73.0329 -22.8466 -38.9086 -129.694 -87.9991 -304.329 250.288 PRESSAVG: 1301400 -27.3426 11.198 26.3586 11.198 45.6259 18.3738 26.3587 18.3737 25.1454 GPRESSAVG: 1301400 -29.4522 9.81826 25.2956 11.2844 48.5778 19.5678 25.7181 18.5137 24.4551 TIMING: 1301400 CPU: 4113.17, 0.0031704/step Wall: 4113.17, 0.0031704/step, 3.25723 hours remaining, 233.648438 MB of memory in use. ENERGY: 1301400 3872.3110 20476.9408 14514.6337 263.8989 -203854.5774 2910.2229 0.0000 0.0000 52096.9901 -109719.5801 299.4021 -161816.5702 -109359.8176 298.4698 96.4495 124.0293 760799.0388 14.4762 14.5269 PRESSURE: 1301600 -74.6718 -229.574 -75.1301 -229.575 -88.5963 84.8742 -75.131 84.8755 -247.331 GPRESSURE: 1301600 -81.0092 -212.663 -89.4105 -141.531 -20.5199 107.592 5.37384 166.947 -224.758 PRESSAVG: 1301600 17.9076 -4.77986 55.5757 -4.77989 -8.41014 -13.4526 55.5755 -13.4525 -6.71279 GPRESSAVG: 1301600 18.4432 -2.08504 55.2523 -5.39433 -9.1113 -14.1415 55.4917 -12.0213 -6.70363 TIMING: 1301600 CPU: 4113.81, 0.00316873/step Wall: 4113.81, 0.00316873/step, 3.25535 hours remaining, 233.648438 MB of memory in use. ENERGY: 1301600 3995.7904 20489.0712 14594.0798 252.3805 -203678.7301 2696.8312 0.0000 0.0000 52127.1518 -109523.4251 299.5755 -161650.5769 -109156.1237 299.2835 -136.8664 -108.7623 761420.1314 0.9282 0.8761 PRESSURE: 1301800 -56.1164 101.329 35.8405 101.329 -0.707642 142.391 35.8411 142.391 335.299 GPRESSURE: 1301800 51.0954 155.883 -27.9692 265.696 -45.3207 143.258 107.686 65.5622 341.527 PRESSAVG: 1301800 8.4158 41.435 -6.50963 41.4349 3.96417 -4.60243 -6.50964 -4.60241 9.36153 GPRESSAVG: 1301800 8.87249 39.9066 -7.70761 42.7287 3.75856 -4.70588 -3.69608 -8.37802 9.39671 TIMING: 1301800 CPU: 4114.44, 0.00315795/step Wall: 4114.44, 0.00315795/step, 3.2441 hours remaining, 233.718750 MB of memory in use. ENERGY: 1301800 3947.5032 20562.9905 14459.2941 258.6793 -202817.9937 2234.4990 0.0000 0.0000 51940.5151 -109414.5124 298.5029 -161355.0275 -109044.0620 298.9386 92.8251 115.7673 762660.5088 7.2472 7.3426 PRESSURE: 1302000 -307.938 16.2908 -140.121 16.2907 -195.289 -0.608378 -140.121 -0.60929 -107.9 GPRESSURE: 1302000 -268.665 18.1424 -151.459 104.66 -144.774 -84.3784 -163.523 40.0687 -111.853 PRESSAVG: 1302000 -33.4145 51.8945 -7.73054 51.8945 4.86464 6.06125 -7.73054 6.06135 23.4116 GPRESSAVG: 1302000 -33.8451 51.4613 -7.52644 49.2838 5.41682 4.885 -7.97722 10.5371 22.9335 TIMING: 1302000 CPU: 4115.07, 0.0031492/step Wall: 4115.07, 0.0031492/step, 3.23493 hours remaining, 233.718750 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: 1302000 3970.3304 20587.1384 14470.3359 252.5976 -202927.7343 2306.0131 0.0000 0.0000 52190.1324 -109151.1865 299.9374 -161341.3189 -108798.4640 299.2377 -203.7086 -175.0972 762131.3352 -1.7127 -1.8316 PRESSURE: 1302200 -237.149 -129.757 -46.9523 -129.757 -286.319 -104.849 -46.9526 -104.849 237.144 GPRESSURE: 1302200 -210.638 -130.283 -105.143 -221.551 -167.263 -57.8561 3.71607 -100.987 188.581 PRESSAVG: 1302200 31.8601 35.7923 20.7719 35.7923 -26.7504 -8.90405 20.7719 -8.90399 -2.30069 GPRESSAVG: 1302200 31.978 33.8796 23.5011 36.8807 -26.7833 -5.48174 19.1105 -10.5114 -1.9434 TIMING: 1302200 CPU: 4115.7, 0.00316496/step Wall: 4115.7, 0.00316496/step, 3.25095 hours remaining, 233.718750 MB of memory in use. ENERGY: 1302200 4037.0693 20562.6916 14476.4904 253.4320 -203081.8055 2512.0798 0.0000 0.0000 52033.9300 -109206.1125 299.0397 -161240.0425 -108856.4261 299.7903 -95.4416 -63.1065 763376.9452 0.9363 1.0837 PRESSURE: 1302400 -469.998 130.46 -221.592 130.46 67.3965 175.587 -221.591 175.586 -119.492 GPRESSURE: 1302400 -264.379 90.6395 -167.127 151.536 55.6831 177.259 -129.61 122.634 -219.42 PRESSAVG: 1302400 11.9284 56.9997 -40.3399 56.9997 3.30742 -16.4495 -40.3399 -16.4495 -3.08372 GPRESSAVG: 1302400 11.9002 59.3729 -41.5871 56.7664 3.70516 -18.6133 -38.4851 -15.7344 -2.95904 TIMING: 1302400 CPU: 4116.34, 0.00317899/step Wall: 4116.34, 0.00317899/step, 3.26517 hours remaining, 233.718750 MB of memory in use. ENERGY: 1302400 4034.0121 20257.0597 14422.5904 246.6986 -202558.8940 2282.1760 0.0000 0.0000 52085.3406 -109231.0164 299.3352 -161316.3571 -108858.1865 299.6602 -174.0311 -142.7050 762386.4401 4.0507 4.2154 PRESSURE: 1302600 29.3135 18.4483 106.298 18.4479 151.723 -66.233 106.298 -66.2349 135.353 GPRESSURE: 1302600 112.722 -29.4179 140.929 0.461225 147.368 -57.0928 22.6802 -50.6482 123.843 PRESSAVG: 1302600 -3.1296 -5.19831 -30.5482 -5.19834 -16.1705 22.0776 -30.5481 22.0776 5.15616 GPRESSAVG: 1302600 -2.83589 -4.52208 -30.8307 -4.76201 -16.7316 22.0251 -32.8574 22.8358 5.4641 TIMING: 1302600 CPU: 4116.97, 0.00317241/step Wall: 4116.97, 0.00317241/step, 3.25824 hours remaining, 233.718750 MB of memory in use. ENERGY: 1302600 4018.7045 20445.8354 14464.5958 243.7940 -203195.8429 2772.3480 0.0000 0.0000 51972.6471 -109277.9180 298.6875 -161250.5651 -108912.7938 299.5797 105.4632 127.9777 762883.3091 -4.7146 -4.7011 PRESSURE: 1302800 19.2803 79.6794 43.9353 79.6796 -430.163 204.619 43.9359 204.619 194.159 GPRESSURE: 1302800 45.5675 134.046 44.4164 1.16586 -376.996 139.361 33.8465 97.5101 173.917 PRESSAVG: 1302800 62.7595 -6.55026 -7.17062 -6.5502 -95.5512 6.86477 -7.1706 6.86476 -4.80838 GPRESSAVG: 1302800 62.2942 -8.12061 -8.96091 -6.88226 -96.1028 5.63484 -6.97178 7.33015 -4.35611 TIMING: 1302800 CPU: 4117.61, 0.00317883/step Wall: 4117.61, 0.00317883/step, 3.26465 hours remaining, 233.718750 MB of memory in use. ENERGY: 1302800 3974.0081 20418.2084 14525.2890 267.7845 -202654.6766 2159.3866 0.0000 0.0000 51964.9231 -109345.0769 298.6431 -161309.9999 -108970.8874 298.8315 -72.2414 -52.5041 762235.9396 -12.5334 -12.7216 PRESSURE: 1303000 -253.144 -23.2224 -39.6831 -23.2228 -44.1842 -89.6751 -39.6839 -89.6766 -422.528 GPRESSURE: 1303000 -197.038 -68.5815 -96.4337 -82.4515 -28.3025 -118.718 83.9827 -22.0093 -402.815 PRESSAVG: 1303000 41.2797 -8.03868 -5.07763 -8.03869 -32.4991 2.21699 -5.07764 2.217 -3.31533 GPRESSAVG: 1303000 41.0057 -8.69805 -3.98074 -5.81439 -30.9885 5.30332 -1.35725 0.232679 -4.34384 TIMING: 1303000 CPU: 4118.24, 0.00317362/step Wall: 4118.24, 0.00317362/step, 3.25913 hours remaining, 233.718750 MB of memory in use. ENERGY: 1303000 4067.3738 20523.2375 14556.5671 270.5946 -203189.9734 2604.6991 0.0000 0.0000 51947.8252 -109219.6762 298.5449 -161167.5014 -108877.2049 299.7081 -239.9521 -209.3849 763182.3670 1.8218 1.8911 PRESSURE: 1303200 164.143 -53.6226 8.82423 -53.622 -291.404 12.6265 8.82491 12.6266 -36.1309 GPRESSURE: 1303200 124.66 14.7358 31.7045 -10.6267 -175.783 -13.5551 23.5736 -48.5701 -43.8006 PRESSAVG: 1303200 -46.7711 -1.785 19.5082 -1.78506 25.5521 23.5397 19.5082 23.5398 -23.5444 GPRESSAVG: 1303200 -46.2162 -2.33759 20.6495 -0.102282 25.7324 22.3292 13.4072 26.8704 -24.1798 TIMING: 1303200 CPU: 4118.88, 0.00317507/step Wall: 4118.88, 0.00317507/step, 3.26044 hours remaining, 233.718750 MB of memory in use. ENERGY: 1303200 4039.6133 20456.2588 14498.3498 249.2988 -203309.0655 2638.3762 0.0000 0.0000 52114.0078 -109313.1608 299.4999 -161427.1686 -108957.2574 299.3490 -54.4641 -31.6412 762443.2703 -14.9212 -14.8878 PRESSURE: 1303400 154.23 103.999 45.9573 103.999 -156.402 137.168 45.956 137.167 -298.008 GPRESSURE: 1303400 181.075 157.835 72.612 179.441 -85.1716 133.526 101.389 112.873 -298.996 PRESSAVG: 1303400 3.20918 17.7021 29.5757 17.702 -0.807115 42.4992 29.5758 42.4991 -2.92636 GPRESSAVG: 1303400 4.46382 19.4852 28.2715 16.2957 -3.70549 42.203 33.7514 40.6325 -1.05595 TIMING: 1303400 CPU: 4119.51, 0.0031526/step Wall: 4119.51, 0.0031526/step, 3.2372 hours remaining, 233.718750 MB of memory in use. ENERGY: 1303400 4022.6018 20382.8574 14463.5534 267.0638 -202931.9278 2321.2376 0.0000 0.0000 52056.5972 -109418.0166 299.1700 -161474.6138 -109057.4969 299.3312 -100.0601 -67.6976 761714.5604 -0.1748 -0.0992 PRESSURE: 1303600 -563.118 106.939 -38.1124 106.94 -219.947 191.154 -38.1118 191.154 40.3305 GPRESSURE: 1303600 -525.106 100.459 -6.11262 64.1783 -160.574 164.518 -141.549 264.623 51.608 PRESSAVG: 1303600 40.8367 39.1954 -14.9773 39.1954 -26.1338 -1.66675 -14.9773 -1.6668 -3.65182 GPRESSAVG: 1303600 40.1261 38.7958 -15.9909 37.6201 -23.7028 -0.498431 -17.3517 -3.55008 -4.36123 TIMING: 1303600 CPU: 4120.13, 0.00312824/step Wall: 4120.13, 0.00312824/step, 3.21201 hours remaining, 233.718750 MB of memory in use. ENERGY: 1303600 4065.2780 20464.4481 14481.1845 249.6742 -203123.6585 2674.2012 0.0000 0.0000 51886.0669 -109302.8057 298.1899 -161188.8725 -108941.7323 299.1367 -247.5782 -211.3576 762905.2749 3.6837 4.0207 PRESSURE: 1303800 55.5646 180.07 263.02 180.068 467.99 -21.8756 263.019 -21.876 115.004 GPRESSURE: 1303800 104.209 136.379 168.484 24.6466 465.501 -77.2333 347.562 -141.787 163.639 PRESSAVG: 1303800 -14.5045 50.3664 43.6942 50.3664 10.2486 -37.8691 43.6942 -37.8691 18.7617 GPRESSAVG: 1303800 -14.9862 52.2173 45.5799 49.2327 11.2028 -39.8562 41.785 -34.7071 18.3389 TIMING: 1303800 CPU: 4120.76, 0.0031359/step Wall: 4120.76, 0.0031359/step, 3.2197 hours remaining, 233.718750 MB of memory in use. ENERGY: 1303800 3992.7341 20429.8497 14521.0145 246.1687 -203321.8802 2792.3427 0.0000 0.0000 51946.2246 -109393.5460 298.5357 -161339.7706 -109029.1916 299.5614 212.8529 244.4496 760976.8710 4.8352 4.8518 PRESSURE: 1304000 -501.67 -172.778 -315.617 -172.778 -216.078 -81.2183 -315.617 -81.2172 -300.723 GPRESSURE: 1304000 -438.612 -181.476 -283.561 -142.841 -197.52 -73.0689 -232.972 82.9417 -285.928 PRESSAVG: 1304000 -15.2764 -16.9622 -12.5513 -16.9621 8.62421 -3.17177 -12.5513 -3.17181 2.73064 GPRESSAVG: 1304000 -14.5297 -19.1871 -14.564 -14.8703 7.21738 -2.03516 -7.86422 -3.73997 3.65416 TIMING: 1304000 CPU: 4121.39, 0.00313734/step Wall: 4121.39, 0.00313734/step, 3.221 hours remaining, 233.707031 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: 1304000 4053.2107 20486.7794 14385.5026 241.0740 -203224.9951 2599.7902 0.0000 0.0000 52084.6084 -109374.0299 299.3310 -161458.6382 -109017.3396 298.7131 -339.4902 -307.3534 763551.3058 -1.3072 -1.2194 PRESSURE: 1304200 -196.314 97.5616 116.281 97.5612 20.1162 -24.7226 116.281 -24.7227 238.85 GPRESSURE: 1304200 -132.695 100.131 93.3581 60.8136 133.137 -29.7646 -139.885 -90.9802 163.857 PRESSAVG: 1304200 -20.5184 27.0613 11.2253 27.0612 41.6075 9.6752 11.2252 9.67522 11.0181 GPRESSAVG: 1304200 -20.4529 28.0928 11.978 24.0499 42.1446 11.793 9.85728 9.10012 10.5911 TIMING: 1304200 CPU: 4122.02, 0.00314257/step Wall: 4122.02, 0.00314257/step, 3.2262 hours remaining, 233.707031 MB of memory in use. ENERGY: 1304200 3933.2129 20484.1295 14479.2930 242.1865 -203444.6531 2852.3723 0.0000 0.0000 52327.1350 -109126.3240 300.7248 -161453.4590 -108767.5901 299.6408 20.8839 54.7662 762434.2279 10.7024 10.7609 LDB: ============= START OF LOAD BALANCING ============== 4134.55 LDB: ============== END OF LOAD BALANCING =============== 4134.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4134.55 LDB: ============= START OF LOAD BALANCING ============== 4134.86 LDB: Largest compute 7060 load 0.029944 is 15.3% of average load 0.195428 LDB: Average compute 0.004398 is 2.3% of average load 0.195428 LDB: TIME 4134.87 LOAD: AVG 0.195428 MAX 0.214223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.531 MB LDB: TIME 4134.87 LOAD: AVG 0.195428 MAX 0.214223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: TIME 4134.87 LOAD: AVG 0.195428 MAX 0.214223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: ============== END OF LOAD BALANCING =============== 4134.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4134.87 PRESSURE: 1304400 -132.879 8.70578 345.382 8.70723 208.656 244.603 345.382 244.603 34.2141 GPRESSURE: 1304400 -25.818 -33.7303 387.174 -4.29195 184.991 187.58 390.131 182.675 31.2955 PRESSAVG: 1304400 -33.3491 29.0097 -3.861 29.0097 35.6777 -44.5177 -3.861 -44.5177 -17.5819 GPRESSAVG: 1304400 -32.3983 27.857 -5.18273 33.8665 33.8198 -46.2371 -4.48789 -45.8017 -16.9666 TIMING: 1304400 CPU: 4122.66, 0.00321057/step Wall: 4122.66, 0.00321057/step, 3.29582 hours remaining, 232.878906 MB of memory in use. ENERGY: 1304400 4013.9683 20463.5664 14484.7639 238.0776 -202784.1629 2482.9103 0.0000 0.0000 51831.4850 -109269.3914 297.8763 -161100.8764 -108908.7976 299.7808 36.6637 63.4895 763283.8111 -5.0844 -5.1817 PRESSURE: 1304600 -90.0945 -158.586 75.7549 -158.586 -4.9705 32.3594 75.7543 32.3595 -307.241 GPRESSURE: 1304600 -26.4352 -123.184 10.7667 -125.085 2.97748 89.0664 83.0722 72.4411 -299.516 PRESSAVG: 1304600 12.4768 -23.8858 7.57672 -23.8858 33.019 -13.0238 7.57669 -13.0239 -20.3411 GPRESSAVG: 1304600 11.2554 -23.0628 8.01185 -25.5404 34.4447 -12.5719 8.35594 -12.0843 -21.0494 TIMING: 1304600 CPU: 4123.29, 0.00314481/step Wall: 4123.29, 0.00314481/step, 3.22815 hours remaining, 233.082031 MB of memory in use. ENERGY: 1304600 4074.6502 20577.6611 14454.6128 244.5723 -203227.4019 2641.9968 0.0000 0.0000 52089.4616 -109144.4471 299.3589 -161233.9087 -108789.6798 298.9521 -134.1019 -107.6580 761600.9705 8.3849 8.2169 PRESSURE: 1304800 -308.462 146.697 -90.6173 146.699 -72.2304 -240.267 -90.6175 -240.266 -275.177 GPRESSURE: 1304800 -228.077 259.072 -9.90671 262.646 -101.726 -149.443 -70.1732 -273.889 -271.168 PRESSAVG: 1304800 -21.1634 7.11549 -10.9151 7.11552 -2.92449 -38.8304 -10.9151 -38.8302 -10.9295 GPRESSAVG: 1304800 -20.9723 6.71999 -10.7181 7.93643 -2.78856 -40.0337 -10.6676 -38.5401 -11.0643 TIMING: 1304800 CPU: 4123.92, 0.00315841/step Wall: 4123.92, 0.00315841/step, 3.24194 hours remaining, 233.082031 MB of memory in use. ENERGY: 1304800 4034.2968 20368.1092 14441.9342 253.1301 -202982.6725 2598.7973 0.0000 0.0000 51932.5707 -109353.8342 298.4572 -161286.4048 -108997.6864 299.4847 -218.6233 -200.3237 765811.1100 -11.6725 -11.6084 PRESSURE: 1305000 -73.2611 -39.5522 -1.84493 -39.5517 164.248 119.775 -1.84516 119.775 -158.547 GPRESSURE: 1305000 -42.9783 133.878 33.9878 -13.2293 134.241 80.6395 45.8996 129.209 -66.6983 PRESSAVG: 1305000 22.2665 18.4407 30.2833 18.4407 -19.1231 -55.8419 30.2833 -55.8419 23.5107 GPRESSAVG: 1305000 22.1838 20.2771 31.9879 16.7012 -19.9405 -56.9088 28.3902 -53.0263 24.2567 TIMING: 1305000 CPU: 4124.55, 0.003146/step Wall: 4124.55, 0.003146/step, 3.22902 hours remaining, 233.070312 MB of memory in use. ENERGY: 1305000 3918.4700 20441.5358 14506.7925 271.1010 -203405.7309 2920.7821 0.0000 0.0000 51799.3887 -109547.6608 297.6918 -161347.0495 -109185.6823 299.0104 -22.5200 8.1881 763157.1339 8.8847 8.8333 PRESSURE: 1305200 151.097 -154.409 128.378 -154.409 -357.65 126.163 128.378 126.162 19.0915 GPRESSURE: 1305200 149.271 -126.263 111.471 -61.6276 -316.742 254.926 80.8033 32.4334 74.3353 PRESSAVG: 1305200 14.3698 -42.4967 3.29795 -42.4967 12.8588 -34.9593 3.298 -34.9592 9.06508 GPRESSAVG: 1305200 13.8283 -43.1147 2.06442 -42.8387 14.2641 -33.8528 5.03201 -37.1258 8.48455 TIMING: 1305200 CPU: 4125.18, 0.00315215/step Wall: 4125.18, 0.00315215/step, 3.23516 hours remaining, 233.070312 MB of memory in use. ENERGY: 1305200 3945.5505 20326.0629 14507.5697 254.1962 -203246.7198 2584.2118 0.0000 0.0000 52079.6650 -109549.4637 299.3026 -161629.1287 -109188.7074 298.0823 -62.4871 -31.0452 761753.9483 12.0979 12.1923 PRESSURE: 1305400 -314.411 -30.3334 -65.3849 -30.3343 -315.103 -168.111 -65.3855 -168.11 -404.793 GPRESSURE: 1305400 -334.019 -3.38716 -130.415 -79.5443 -259.826 -129.48 -31.3414 -74.8505 -353.142 PRESSAVG: 1305400 -2.08169 6.57352 75.3319 6.57355 2.87984 -15.0655 75.3319 -15.0656 25.4719 GPRESSAVG: 1305400 -2.80403 5.68993 74.6171 7.61496 2.83327 -15.8821 75.2182 -16.5655 26.1632 TIMING: 1305400 CPU: 4125.81, 0.00315941/step Wall: 4125.81, 0.00315941/step, 3.24243 hours remaining, 233.070312 MB of memory in use. ENERGY: 1305400 3954.0739 20363.5133 14510.4204 233.6952 -203085.2310 2403.2174 0.0000 0.0000 51982.7726 -109637.5382 298.7457 -161620.3108 -109271.3321 298.2754 -344.7688 -315.6625 762826.6227 8.7567 8.7308 PRESSURE: 1305600 184.869 20.8323 145.76 20.8332 -68.3195 -142.86 145.76 -142.86 -90.4247 GPRESSURE: 1305600 143.417 33.3447 132.997 -59.3372 11.306 -35.3164 136.548 -285.711 -33.155 PRESSAVG: 1305600 -4.35205 -3.07479 17.4803 -3.07481 -16.3339 -19.3624 17.4804 -19.3624 -30.8182 GPRESSAVG: 1305600 -3.97192 -4.44354 20.3774 -1.14171 -17.2796 -19.0072 15.8251 -20.0688 -30.3027 TIMING: 1305600 CPU: 4126.44, 0.003161/step Wall: 4126.44, 0.003161/step, 3.24389 hours remaining, 233.070312 MB of memory in use. ENERGY: 1305600 3997.3467 20455.8983 14497.9561 254.0871 -203437.5973 2550.8163 0.0000 0.0000 51936.1652 -109745.3277 298.4779 -161681.4929 -109384.3447 298.2457 8.7083 40.5226 761254.9353 -17.1681 -17.1847 PRESSURE: 1305800 -447.039 144.931 -272.817 144.931 -72.3216 88.5572 -272.816 88.557 194.466 GPRESSURE: 1305800 -336.286 -0.0522146 -269.854 66.8299 -33.9086 114.229 -242.785 21.7223 139.309 PRESSAVG: 1305800 13.2376 54.8078 15.635 54.8078 -33.0811 -19.3704 15.6349 -19.3704 4.5977 GPRESSAVG: 1305800 14.5847 54.4903 11.5773 55.2794 -32.859 -19.8095 16.5549 -17.8396 3.31771 TIMING: 1305800 CPU: 4127.07, 0.00316183/step Wall: 4127.07, 0.00316183/step, 3.24456 hours remaining, 233.070312 MB of memory in use. ENERGY: 1305800 3964.9409 20430.3857 14460.5151 246.6399 -203279.0180 2573.3566 0.0000 0.0000 52092.8739 -109510.3060 299.3785 -161603.1799 -109155.5734 298.6415 -108.2983 -76.9619 762269.1764 -5.0820 -4.9855 PRESSURE: 1306000 -271.743 38.3116 -146.087 38.3119 -278.857 228.153 -146.087 228.154 -71.969 GPRESSURE: 1306000 -260.029 39.5316 -132.339 37.2615 -296.167 195.455 16.0942 325.24 -10.9601 PRESSAVG: 1306000 35.9971 17.745 17.8311 17.745 1.15474 18.0506 17.8311 18.0506 -1.33269 GPRESSAVG: 1306000 34.5628 19.266 17.936 17.183 3.05078 19.3041 18.8798 17.0484 -1.33584 TIMING: 1306000 CPU: 4127.7, 0.00313283/step Wall: 4127.7, 0.00313283/step, 3.21463 hours remaining, 233.082031 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: 1306000 3900.4376 20446.3492 14459.0636 235.9855 -203201.6893 2690.5506 0.0000 0.0000 51990.8161 -109478.4867 298.7919 -161469.3028 -109117.7707 298.8884 -207.5230 -189.0521 764198.8496 11.9397 12.0926 PRESSURE: 1306200 -230.03 176.347 154.975 176.347 -398.418 -153.51 154.976 -153.51 -354.922 GPRESSURE: 1306200 -243.101 119.702 178.135 102.263 -359.232 -180.58 7.39688 -136.957 -284.952 PRESSAVG: 1306200 25.4789 -3.34927 6.75348 -3.34924 -51.3486 9.49209 6.75343 9.49207 -22.4261 GPRESSAVG: 1306200 25.7684 -4.48234 7.78284 -4.6668 -52.9287 8.30027 5.51418 12.8858 -21.0398 TIMING: 1306200 CPU: 4128.33, 0.00314242/step Wall: 4128.33, 0.00314242/step, 3.2243 hours remaining, 233.082031 MB of memory in use. ENERGY: 1306200 3979.2422 20335.8264 14483.2679 233.1283 -202938.5342 2277.8704 0.0000 0.0000 52039.7446 -109589.4543 299.0731 -161629.1989 -109219.5537 298.4615 -327.7899 -295.7615 762826.2558 -16.0986 -16.0667 PRESSURE: 1306400 -546.36 -55.9246 34.0189 -55.925 -202.522 -50.3431 34.0194 -50.3434 186.505 GPRESSURE: 1306400 -355.658 39.1876 43.4259 -76.132 -261.162 -45.484 20.3687 -33.4754 147.451 PRESSAVG: 1306400 36.5145 17.5992 -35.1942 17.5992 4.95744 -17.1518 -35.1941 -17.1518 -0.679505 GPRESSAVG: 1306400 37.4058 17.8832 -33.7926 17.9342 4.81295 -17.2533 -33.4445 -18.7133 -1.55308 TIMING: 1306400 CPU: 4128.96, 0.00314481/step Wall: 4128.96, 0.00314481/step, 3.22657 hours remaining, 233.082031 MB of memory in use. ENERGY: 1306400 4028.6479 20184.1423 14539.5767 245.5493 -203617.7406 2741.7556 0.0000 0.0000 52309.6690 -109568.3999 300.6244 -161878.0689 -109202.6771 298.6879 -187.4589 -156.4564 761041.6131 13.5975 13.5552 PRESSURE: 1306600 -442.904 79.0232 -172.732 79.0227 -195.024 82.9893 -172.732 82.9888 -150.963 GPRESSURE: 1306600 -395.121 101.656 -83.7203 124.348 -244.889 101.944 -229.299 124.416 -72.9297 PRESSAVG: 1306600 54.2721 25.116 -1.16343 25.116 -41.4138 -25.8631 -1.16345 -25.863 5.35481 GPRESSAVG: 1306600 55.2384 25.0478 -3.08717 26.8626 -41.5244 -23.3088 -1.44628 -27.7703 4.42765 TIMING: 1306600 CPU: 4129.59, 0.0031524/step Wall: 4129.59, 0.0031524/step, 3.23419 hours remaining, 233.082031 MB of memory in use. ENERGY: 1306600 4037.9931 20291.2550 14494.7821 251.3612 -202907.5192 2250.7621 0.0000 0.0000 51691.1206 -109890.2451 297.0696 -161581.3657 -109527.9002 298.5415 -262.9638 -237.6464 762437.9151 6.0711 6.0472 PRESSURE: 1306800 -211.179 32.5922 167.662 32.5926 -253.312 -39.6404 167.662 -39.6398 277.829 GPRESSURE: 1306800 -102.572 30.4143 132.573 81.6938 -271.413 -86.0877 104.7 59.9475 286.852 PRESSAVG: 1306800 -14.257 8.49988 46.6869 8.49989 24.5171 -1.58824 46.6869 -1.58824 -7.72743 GPRESSAVG: 1306800 -15.4333 6.96872 46.829 7.43589 24.9802 -4.20146 45.5267 -0.789497 -6.96501 TIMING: 1306800 CPU: 4130.22, 0.0031593/step Wall: 4130.22, 0.0031593/step, 3.24109 hours remaining, 233.082031 MB of memory in use. ENERGY: 1306800 3921.5476 20216.5094 14521.0550 231.9582 -203361.3334 2451.8547 0.0000 0.0000 52166.0621 -109852.3464 299.7991 -162018.4085 -109485.6573 297.8873 -62.2207 -29.0444 762538.2601 0.8442 0.8606 PRESSURE: 1307000 43.9838 121.627 -100.705 121.627 221.35 -232.023 -100.705 -232.022 465.786 GPRESSURE: 1307000 28.438 129.236 -29.774 119.81 235.956 -198.084 -22.8589 -218.139 561.064 PRESSAVG: 1307000 64.0266 28.0954 53.3205 28.0954 -33.9226 -24.8041 53.3204 -24.804 34.5608 GPRESSAVG: 1307000 63.7314 29.8523 54.2224 26.8448 -34.5114 -23.8942 55.0697 -27.1244 34.8215 TIMING: 1307000 CPU: 4130.85, 0.00316331/step Wall: 4130.85, 0.00316331/step, 3.24503 hours remaining, 233.082031 MB of memory in use. ENERGY: 1307000 3948.2471 20391.0931 14384.3460 248.8204 -203528.8767 2799.8863 0.0000 0.0000 52039.5552 -109716.9285 299.0720 -161756.4837 -109354.8683 298.3910 243.7066 275.1530 761634.6665 21.5549 21.3472 PRESSURE: 1307200 177.723 -73.8586 82.1386 -73.8579 342.179 108.905 82.1389 108.905 211.538 GPRESSURE: 1307200 209.492 -47.9439 4.35947 -62.2782 393.04 129.928 101.787 72.464 201.266 PRESSAVG: 1307200 -34.5293 -41.0265 27.151 -41.0265 33.6434 -9.24862 27.151 -9.24852 0.900938 GPRESSAVG: 1307200 -33.9204 -41.526 26.6056 -39.2789 34.7476 -10.1032 26.6053 -5.73506 -0.294456 TIMING: 1307200 CPU: 4131.49, 0.00316522/step Wall: 4131.49, 0.00316522/step, 3.24682 hours remaining, 233.082031 MB of memory in use. ENERGY: 1307200 3978.0280 20333.1241 14438.9329 247.7269 -203609.9973 2871.0677 0.0000 0.0000 51935.4658 -109805.6520 298.4738 -161741.1179 -109446.0012 298.3124 243.8133 267.9327 761226.3581 0.0050 0.1776 PRESSURE: 1307400 150.681 -108.396 74.67 -108.396 -49.7069 161.068 74.6712 161.067 114.372 GPRESSURE: 1307400 193.92 -48.7071 19.2326 -204.559 6.05438 202.502 232.297 166.226 79.5977 PRESSAVG: 1307400 6.77339 -1.18672 -8.24101 -1.18672 9.44601 -36.7106 -8.24106 -36.7106 14.5385 GPRESSAVG: 1307400 6.19733 0.415314 -9.26548 -0.840718 8.68576 -35.7761 -7.11376 -37.2792 15.6199 TIMING: 1307400 CPU: 4132.12, 0.00314514/step Wall: 4132.12, 0.00314514/step, 3.22604 hours remaining, 233.082031 MB of memory in use. ENERGY: 1307400 3987.5796 20122.7821 14461.0382 246.8536 -203319.8857 2701.9967 0.0000 0.0000 52063.1127 -109736.5228 299.2074 -161799.6355 -109372.2806 298.3089 71.7819 93.1907 762856.6972 10.2526 10.1677 PRESSURE: 1307600 -235.283 120.737 -109.167 120.737 -71.2273 47.7053 -109.166 47.7056 228.99 GPRESSURE: 1307600 -207.439 -20.696 -112.155 143.763 -66.5287 79.4172 -63.681 -17.0204 297.646 PRESSAVG: 1307600 -27.4525 -35.3444 -5.91904 -35.3443 18.1589 26.8063 -5.91899 26.8062 -2.41439 GPRESSAVG: 1307600 -26.9128 -36.1055 -5.82939 -34.5688 17.8435 24.9885 -7.05895 27.3019 -2.08151 TIMING: 1307600 CPU: 4132.74, 0.00313383/step Wall: 4132.74, 0.00313383/step, 3.21426 hours remaining, 233.082031 MB of memory in use. ENERGY: 1307600 3925.2016 20464.7984 14489.5147 234.3457 -203752.8472 2713.2063 0.0000 0.0000 52065.3080 -109860.4725 299.2200 -161925.7805 -109491.6931 298.1290 -25.8399 7.8925 763956.5841 -3.9027 -3.7169 PRESSURE: 1307800 24.0247 55.8783 -51.7029 55.8775 -85.894 12.8173 -51.7038 12.817 -29.8034 GPRESSURE: 1307800 95.2958 29.598 4.07894 119.044 -62.8016 16.8814 37.1678 -78.6629 -38.7208 PRESSAVG: 1307800 72.5564 22.9014 -23.9796 22.9013 -25.0428 -21.0107 -23.9796 -21.0106 0.180182 GPRESSAVG: 1307800 74.089 21.6187 -21.6987 23.9117 -26.0423 -18.5641 -24.5677 -22.6115 -0.456623 TIMING: 1307800 CPU: 4133.37, 0.00315406/step Wall: 4133.37, 0.00315406/step, 3.23484 hours remaining, 233.082031 MB of memory in use. ENERGY: 1307800 3997.9337 20392.8735 14481.1177 241.8485 -203700.5677 2785.6071 0.0000 0.0000 51699.6642 -110101.5229 297.1187 -161801.1871 -109734.4294 298.2621 -30.5576 -2.0755 761574.3333 15.8979 15.8634 PRESSURE: 1308000 396.79 -235.066 58.2325 -235.066 232.218 27.5823 58.2315 27.5817 65.6505 GPRESSURE: 1308000 438.006 -182.885 164.692 15.7092 288.278 7.96459 -44.3985 80.6375 57.978 PRESSAVG: 1308000 -2.37819 60.4903 8.9529 60.4903 -19.2455 1.22091 8.95285 1.22083 -22.1752 GPRESSAVG: 1308000 -3.34883 61.4209 8.06003 59.6425 -17.1134 0.191124 9.99362 2.41965 -22.3357 TIMING: 1308000 CPU: 4134, 0.00315431/step Wall: 4134, 0.00315431/step, 3.23492 hours remaining, 233.082031 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: 1308000 3994.3437 20419.4630 14483.0270 272.8134 -203976.0202 3065.5946 0.0000 0.0000 51817.7596 -109923.0189 297.7974 -161740.7785 -109560.6446 297.6144 231.5529 261.4205 761603.4516 -14.5996 -14.2660 PRESSURE: 1308200 -120.126 22.6656 -211.977 22.6657 -374.392 -1.243 -211.978 -1.2428 259.725 GPRESSURE: 1308200 -41.4237 -7.68303 -102.823 7.92632 -315.761 2.07842 -155.808 -32.695 198.698 PRESSAVG: 1308200 12.2422 -12.1378 -11.5748 -12.1377 -16.7457 -20.7527 -11.5749 -20.7527 18.0372 GPRESSAVG: 1308200 11.9746 -13.0271 -10.6697 -12.7897 -17.2995 -21.1687 -13.4005 -18.812 18.3708 TIMING: 1308200 CPU: 4134.64, 0.00316165/step Wall: 4134.64, 0.00316165/step, 3.24227 hours remaining, 233.082031 MB of memory in use. ENERGY: 1308200 3957.7581 20373.4256 14549.8284 234.9966 -203821.2950 2962.1568 0.0000 0.0000 52024.9825 -109718.1469 298.9883 -161743.1294 -109365.1215 298.5342 -78.2641 -52.8287 764171.8282 4.5112 4.3486 LDB: ============= START OF LOAD BALANCING ============== 4147.17 LDB: ============== END OF LOAD BALANCING =============== 4147.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4147.17 LDB: ============= START OF LOAD BALANCING ============== 4147.49 LDB: Largest compute 7060 load 0.031762 is 16.2% of average load 0.195480 LDB: Average compute 0.004410 is 2.3% of average load 0.195480 LDB: TIME 4147.49 LOAD: AVG 0.19548 MAX 0.214178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 4147.49 LOAD: AVG 0.19548 MAX 0.214178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 4147.49 LOAD: AVG 0.19548 MAX 0.214178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 4147.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4147.5 PRESSURE: 1308400 -193.087 60.3586 -40.9085 60.3574 -105.062 -15.9058 -40.9085 -15.9045 -139.965 GPRESSURE: 1308400 -177.581 -48.1016 57.7635 9.24088 -67.9434 29.1821 -105.689 -87.9823 -92.1927 PRESSAVG: 1308400 19.8056 -22.1568 -0.223503 -22.1568 7.89691 -29.3526 -0.223478 -29.3527 -22.7183 GPRESSAVG: 1308400 20.5174 -22.4443 -0.50405 -22.9579 6.85295 -28.5871 -0.153843 -31.7139 -22.3777 TIMING: 1308400 CPU: 4135.28, 0.00322815/step Wall: 4135.28, 0.00322815/step, 3.31029 hours remaining, 234.218750 MB of memory in use. ENERGY: 1308400 4056.5168 20380.8723 14528.6494 226.8640 -203393.8038 2548.8639 0.0000 0.0000 51818.9043 -109833.1332 297.8040 -161652.0374 -109473.1052 298.4279 -146.0382 -112.5725 761468.5582 1.6614 1.6642 PRESSURE: 1308600 35.9065 -16.8563 -132.833 -16.8562 90.7919 -12.8866 -132.834 -12.8873 -193.499 GPRESSURE: 1308600 49.0771 47.6539 -97.2354 34.0661 188.242 105.219 -219.35 86.4331 -215.015 PRESSAVG: 1308600 -22.113 -40.0756 -13.8836 -40.0756 9.51627 -7.55878 -13.8835 -7.55886 -0.276956 GPRESSAVG: 1308600 -23.9152 -37.3867 -14.2837 -40.3158 10.3443 -8.26096 -12.8905 -8.91233 0.942431 TIMING: 1308600 CPU: 4135.92, 0.00317363/step Wall: 4135.92, 0.00317363/step, 3.2542 hours remaining, 234.289062 MB of memory in use. ENERGY: 1308600 4012.9832 20549.4823 14556.3038 257.4313 -203771.7961 2840.2386 0.0000 0.0000 51719.9943 -109835.3625 297.2355 -161555.3569 -109485.4448 298.1142 -22.2669 7.4347 762879.8455 -4.2912 -4.2095 PRESSURE: 1308800 -213.566 -55.2534 113.868 -55.2534 -181.069 -187.06 113.868 -187.061 -459.574 GPRESSURE: 1308800 -210.44 -8.50619 66.1325 16.2191 -132.842 -71.9903 172.916 -342.155 -419.865 PRESSAVG: 1308800 29.1888 4.86271 -36.8595 4.86272 -41.2426 5.10164 -36.8595 5.10161 -4.74285 GPRESSAVG: 1308800 30.5856 3.82308 -37.7922 4.28513 -41.0388 5.02905 -36.7186 6.87755 -6.09635 TIMING: 1308800 CPU: 4136.55, 0.00315972/step Wall: 4136.55, 0.00315972/step, 3.23977 hours remaining, 234.289062 MB of memory in use. ENERGY: 1308800 4032.5922 20380.6675 14540.2855 242.3265 -203359.6490 2693.5683 0.0000 0.0000 51831.3179 -109638.8911 297.8753 -161470.2091 -109275.0161 298.5901 -284.7362 -254.3824 764305.4041 -5.5989 -5.5165 PRESSURE: 1309000 -144.463 -175.744 68.3109 -175.745 -323.795 132.097 68.311 132.098 -444.55 GPRESSURE: 1309000 -135.838 -202.348 79.931 -228.393 -269.198 111.314 214.853 62.3992 -422.906 PRESSAVG: 1309000 39.9815 16.9795 30.8879 16.9796 -24.1407 30.7428 30.8879 30.7429 -1.38991 GPRESSAVG: 1309000 39.2416 17.885 30.7024 16.7359 -23.4497 29.5774 30.7643 31.473 -1.09885 TIMING: 1309000 CPU: 4137.18, 0.00314128/step Wall: 4137.18, 0.00314128/step, 3.22068 hours remaining, 234.492188 MB of memory in use. ENERGY: 1309000 3997.2064 20606.2626 14467.6758 235.4136 -202967.5593 2217.3819 0.0000 0.0000 51915.3327 -109528.2864 298.3581 -161443.6191 -109170.4615 298.9154 -304.2693 -275.9807 761617.4057 4.8170 4.8977 PRESSURE: 1309200 -59.587 127.178 107.054 127.179 101.703 187.984 107.054 187.983 78.0302 GPRESSURE: 1309200 52.7015 109.351 233.716 29.0185 90.4625 213.108 53.1826 120.295 67.753 PRESSAVG: 1309200 11.6025 18.3324 1.26049 18.3324 10.701 52.1579 1.26048 52.158 31.1837 GPRESSAVG: 1309200 13.3866 16.0144 0.173456 20.0215 8.2719 53.5102 2.07458 50.8776 31.6919 TIMING: 1309200 CPU: 4137.81, 0.00315039/step Wall: 4137.81, 0.00315039/step, 3.22985 hours remaining, 234.492188 MB of memory in use. ENERGY: 1309200 4012.6743 20425.0670 14484.8356 236.1313 -203136.1992 2529.0449 0.0000 0.0000 51880.7649 -109567.6813 298.1595 -161448.4462 -109198.4075 298.8550 40.0488 70.3057 762044.0961 17.8291 17.7835 PRESSURE: 1309400 -189.851 105.672 -195.742 105.672 -59.7585 -203.509 -195.742 -203.51 -552.988 GPRESSURE: 1309400 -230.035 2.8768 -88.4529 150.231 -14.908 -68.3355 -201.556 -61.5073 -461.881 PRESSAVG: 1309400 -47.6876 4.77455 -7.60656 4.77454 41.6268 -22.8299 -7.60658 -22.8301 -6.36386 GPRESSAVG: 1309400 -49.3264 4.30683 -8.12371 4.447 44.3355 -21.9215 -8.68641 -21.4709 -7.69475 TIMING: 1309400 CPU: 4138.44, 0.00316024/step Wall: 4138.44, 0.00316024/step, 3.23977 hours remaining, 234.492188 MB of memory in use. ENERGY: 1309400 3952.0575 20441.6653 14488.2116 238.8761 -202758.3209 2323.3250 0.0000 0.0000 51808.9919 -109505.1936 297.7470 -161314.1855 -109151.4803 298.6616 -267.5326 -235.6080 760953.1526 -4.1416 -4.2286 PRESSURE: 1309600 -84.1152 30.371 150.996 30.3714 -40.1304 6.65715 150.994 6.65758 -384.18 GPRESSURE: 1309600 -64.89 179.144 124.093 69.1598 40.0219 2.19475 102.668 -132.666 -411.545 PRESSAVG: 1309600 -4.81396 8.50204 36.6344 8.5021 28.3156 -24.8865 36.6344 -24.8865 -5.00139 GPRESSAVG: 1309600 -4.47079 9.91729 38.3792 7.58448 27.296 -24.8968 36.5319 -25.4286 -4.7848 TIMING: 1309600 CPU: 4139.07, 0.00314156/step Wall: 4139.07, 0.00314156/step, 3.22045 hours remaining, 234.492188 MB of memory in use. ENERGY: 1309600 3972.7981 20475.8458 14501.3653 238.5327 -203113.4261 2375.5211 0.0000 0.0000 51836.9873 -109712.3758 297.9079 -161549.3631 -109359.2042 298.5711 -169.4753 -145.4710 760870.8717 6.1667 6.0135 PRESSURE: 1309800 -28.4665 111.323 144.944 111.322 -157.755 -99.1161 144.944 -99.1149 -18.5952 GPRESSURE: 1309800 17.6976 21.2279 117.92 -12.1621 -106.638 -107.81 192.165 -175.049 -38.3547 PRESSAVG: 1309800 10.6313 11.0614 -8.79113 11.0614 7.15128 -4.65491 -8.79112 -4.65482 7.35222 GPRESSAVG: 1309800 12.0758 9.43999 -8.19746 11.2231 7.03497 -6.15084 -8.1987 -5.6709 6.38022 TIMING: 1309800 CPU: 4139.69, 0.00313777/step Wall: 4139.69, 0.00313777/step, 3.21638 hours remaining, 234.492188 MB of memory in use. ENERGY: 1309800 3977.1339 20373.3018 14417.5743 227.1719 -203829.6484 2947.1725 0.0000 0.0000 52119.4479 -109767.8460 299.5312 -161887.2939 -109395.3189 298.5312 -68.2724 -42.4316 761204.7072 8.3783 8.4970 PRESSURE: 1310000 106.208 147.499 122.085 147.5 -212.499 -174.48 122.085 -174.48 36.785 GPRESSURE: 1310000 85.9324 124.344 -17.1287 220.415 -103.272 -181.288 -6.58664 -106.576 41.3343 PRESSAVG: 1310000 14.7756 32.0592 39.4014 32.0592 -8.2875 -23.4532 39.4014 -23.4532 -14.0772 GPRESSAVG: 1310000 13.2231 31.5456 37.7159 32.6708 -7.97952 -22.3448 38.0175 -21.7152 -12.5764 TIMING: 1310000 CPU: 4140.32, 0.00314636/step Wall: 4140.32, 0.00314636/step, 3.22502 hours remaining, 234.492188 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: 1310000 3980.9753 20308.2657 14507.0824 255.9182 -203651.7870 2751.4807 0.0000 0.0000 51845.2894 -110002.7752 297.9556 -161848.0647 -109643.6383 297.5872 -23.1686 7.9983 760245.9728 -2.5297 -2.4443 PRESSURE: 1310200 -241.489 40.6863 150.573 40.6862 -34.3369 -80.0062 150.573 -80.0062 -274.207 GPRESSURE: 1310200 -119.695 84.6713 185.706 36.9674 -56.1493 -72.1052 309.868 7.79541 -268.912 PRESSAVG: 1310200 43.7099 -11.5817 2.8712 -11.5817 -15.5069 -25.6898 2.87119 -25.6897 -7.70139 GPRESSAVG: 1310200 43.6735 -10.3365 3.8515 -13.6197 -14.8703 -26.0694 4.78005 -25.5795 -8.24822 TIMING: 1310200 CPU: 4140.96, 0.00316315/step Wall: 4140.96, 0.00316315/step, 3.24206 hours remaining, 234.492188 MB of memory in use. ENERGY: 1310200 3983.2728 20398.4468 14510.8652 257.4552 -203394.3442 2547.0713 0.0000 0.0000 51757.5740 -109939.6590 297.4515 -161697.2330 -109589.6078 297.9009 -183.3444 -148.2522 760875.1401 6.8339 6.8517 PRESSURE: 1310400 -150.041 -99.7814 -20.87 -99.7814 13.4678 -71.9321 -20.8712 -71.9315 202.795 GPRESSURE: 1310400 -61.4262 -9.51404 -5.64022 -89.4547 76.0588 -65.6541 -95.1839 -159.819 161.029 PRESSAVG: 1310400 27.2188 -59.7406 20.9607 -59.7406 -31.3831 28.3847 20.9607 28.3847 7.30744 GPRESSAVG: 1310400 29.0395 -59.0957 22.3111 -60.1971 -33.1799 28.8929 20.6279 27.1864 7.29742 TIMING: 1310400 CPU: 4141.59, 0.00315423/step Wall: 4141.59, 0.00315423/step, 3.23274 hours remaining, 234.492188 MB of memory in use. ENERGY: 1310400 3937.2121 20668.7556 14384.0698 249.9310 -203721.4347 2829.2416 0.0000 0.0000 51865.1990 -109787.0256 298.0700 -161652.2246 -109439.8855 298.2146 22.0740 58.5537 764103.4578 1.0477 1.0523 PRESSURE: 1310600 -4.54548 110.68 -7.63343 110.681 -104.075 -207.378 -7.63372 -207.377 63.0348 GPRESSURE: 1310600 72.6175 99.2962 -10.1263 69.5343 -76.6595 -200.664 -23.1466 -88.6626 46.5719 PRESSAVG: 1310600 34.6427 3.03676 -5.24645 3.0368 -33.9375 -10.6931 -5.24643 -10.6932 -8.01177 GPRESSAVG: 1310600 33.3132 2.96504 -5.83878 5.2537 -32.6235 -11.7292 -4.92351 -9.04707 -7.57839 TIMING: 1310600 CPU: 4142.22, 0.00314184/step Wall: 4142.22, 0.00314184/step, 3.21986 hours remaining, 234.492188 MB of memory in use. ENERGY: 1310600 3909.3540 20534.1803 14459.5627 235.5018 -203699.2125 2660.2613 0.0000 0.0000 52091.8377 -109808.5146 299.3725 -161900.3523 -109452.4843 298.4861 -15.1953 14.1766 762170.2035 -2.4355 -2.2962 PRESSURE: 1310800 145.527 96.1365 306.7 96.1368 -247.98 258.624 306.7 258.624 -124.348 GPRESSURE: 1310800 120.169 74.7493 223.114 126.185 -214.942 197.73 250.461 224.952 -59.7523 PRESSAVG: 1310800 34.9639 -44.4871 -37.3768 -44.4871 17.9222 18.0202 -37.3768 18.0202 13.4462 GPRESSAVG: 1310800 35.6008 -44.6706 -38.7225 -43.9757 17.8313 18.5836 -38.3356 15.9146 13.4791 TIMING: 1310800 CPU: 4142.85, 0.00315892/step Wall: 4142.85, 0.00315892/step, 3.23719 hours remaining, 234.492188 MB of memory in use. ENERGY: 1310800 3919.6642 20467.3564 14492.8164 247.1331 -203555.4327 2766.1886 0.0000 0.0000 51823.6299 -109838.6442 297.8311 -161662.2741 -109487.6523 298.2638 -75.6004 -51.5085 762274.8985 22.1108 22.3037 PRESSURE: 1311000 31.8024 137.584 -3.84978 137.584 -94.3127 168.184 -3.85003 168.185 58.0775 GPRESSURE: 1311000 83.3485 9.0317 -87.2027 170.836 -45.5922 180.747 79.2606 85.9826 26.084 PRESSAVG: 1311000 -26.6736 -3.798 43.1167 -3.79796 42.7889 35.4835 43.1166 35.4836 -2.58022 GPRESSAVG: 1311000 -25.6808 -4.18576 43.3948 -4.48139 42.5288 33.9148 43.5319 37.009 -3.5294 TIMING: 1311000 CPU: 4143.48, 0.00314456/step Wall: 4143.48, 0.00314456/step, 3.2223 hours remaining, 234.492188 MB of memory in use. ENERGY: 1311000 3996.6630 20436.9930 14437.0502 226.0720 -203748.6466 2624.1848 0.0000 0.0000 52450.2149 -109577.4688 301.4321 -162027.6836 -109215.9712 298.8085 -1.4776 21.2801 761479.4927 4.5117 4.4395 PRESSURE: 1311200 55.3475 99.5922 -35.7132 99.5924 -432.815 283.307 -35.7134 283.308 39.217 GPRESSURE: 1311200 53.1062 220.95 -32.2235 233.859 -384.4 246.28 -45.2654 290.39 79.6541 PRESSAVG: 1311200 44.4584 3.59984 -6.44911 3.59992 -15.2662 -43.6346 -6.44911 -43.6346 -18.6983 GPRESSAVG: 1311200 43.5642 5.53419 -5.26907 2.27369 -14.7033 -42.598 -7.48437 -44.1822 -17.7439 TIMING: 1311200 CPU: 4144.1, 0.00313008/step Wall: 4144.1, 0.00313008/step, 3.20729 hours remaining, 234.492188 MB of memory in use. ENERGY: 1311200 3983.5779 20396.7660 14454.5212 241.5595 -203180.0172 2515.6432 0.0000 0.0000 52068.8854 -109519.0640 299.2406 -161587.9494 -109168.1041 299.2044 -112.7500 -83.8798 762421.0440 3.4980 3.7056 PRESSURE: 1311400 101.836 0.569731 10.411 0.568869 -177.364 -20.73 10.4105 -20.7304 -54.1364 GPRESSURE: 1311400 173.996 19.7926 8.66532 -110.658 -196.359 -90.6528 49.6911 -42.8533 -22.7714 PRESSAVG: 1311400 54.9141 49.2006 12.924 49.2006 -89.1157 23.9437 12.924 23.9437 10.2392 GPRESSAVG: 1311400 56.4708 49.0536 11.6307 47.8207 -89.586 24.1393 13.7327 22.4051 9.04118 TIMING: 1311400 CPU: 4144.73, 0.00313851/step Wall: 4144.73, 0.00313851/step, 3.21576 hours remaining, 234.492188 MB of memory in use. ENERGY: 1311400 3945.3176 20627.7277 14481.3563 237.8973 -203204.6433 2767.5868 0.0000 0.0000 51602.1451 -109542.6125 296.5582 -161144.7576 -109195.2930 298.8529 -43.2215 -15.0448 762228.2834 -7.9874 -8.0246 PRESSURE: 1311600 -180.201 -285.273 68.7271 -285.273 12.2667 -76.8328 68.7273 -76.8333 12.1803 GPRESSURE: 1311600 -26.8146 -250.672 53.1349 -192.104 -77.7312 -56.5467 54.5563 -33.7609 44.7199 PRESSAVG: 1311600 2.55985 11.3297 86.0881 11.3297 -25.8661 46.3471 86.0882 46.347 15.1314 GPRESSAVG: 1311600 2.02439 9.50453 86.0727 12.8823 -25.8602 45.5465 85.8082 47.681 15.7606 TIMING: 1311600 CPU: 4145.36, 0.00314863/step Wall: 4145.36, 0.00314863/step, 3.22595 hours remaining, 234.492188 MB of memory in use. ENERGY: 1311600 3948.2296 20531.0184 14459.6513 222.1603 -203414.1681 2732.1044 0.0000 0.0000 52022.5111 -109498.4929 298.9741 -161521.0040 -109124.9289 299.3428 -51.9181 -19.9420 762558.8737 -2.7249 -2.6918 PRESSURE: 1311800 -384.571 -66.9669 141.485 -66.9681 -34.5179 55.0011 141.485 55.0015 -167.228 GPRESSURE: 1311800 -473.948 -68.6841 92.2359 121.767 26.1551 83.1201 67.8577 0.118049 -66.8705 PRESSAVG: 1311800 4.34696 7.10686 10.2678 7.10687 -3.78195 -22.1227 10.2679 -22.1228 -22.439 GPRESSAVG: 1311800 4.25192 6.70134 10.8626 7.77276 -3.6136 -21.0943 10.3246 -20.7446 -22.7512 TIMING: 1311800 CPU: 4145.99, 0.00315585/step Wall: 4145.99, 0.00315585/step, 3.23317 hours remaining, 234.492188 MB of memory in use. ENERGY: 1311800 4011.9832 20425.8824 14450.6899 233.1923 -203040.8237 2598.1860 0.0000 0.0000 51866.9665 -109453.9234 298.0802 -161320.8900 -109084.9497 298.9122 -195.4392 -171.5544 763066.7502 -7.2913 -7.3710 PRESSURE: 1312000 40.9899 405.178 -226.44 405.179 28.7098 15.971 -226.44 15.9706 -54.626 GPRESSURE: 1312000 47.9922 200.679 -207.523 350.72 127.595 -9.40166 -27.8178 29.2426 -58.0907 PRESSAVG: 1312000 -11.5328 27.9233 -5.93092 27.9233 8.48251 -21.9838 -5.93096 -21.9838 8.62782 GPRESSAVG: 1312000 -12.1863 29.774 -5.6516 26.4129 8.34729 -23.3901 -5.16771 -23.515 9.70934 TIMING: 1312000 CPU: 4146.62, 0.00316246/step Wall: 4146.62, 0.00316246/step, 3.23977 hours remaining, 234.492188 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: 1312000 4070.7175 20652.8914 14376.4406 242.7060 -203795.3649 2704.9401 0.0000 0.0000 52226.4561 -109521.2132 300.1462 -161747.6693 -109158.6551 298.9497 5.0245 39.1654 761282.0970 1.8592 1.9568 PRESSURE: 1312200 -596.788 -139.967 145.011 -139.968 -553.653 -208.098 145.01 -208.098 -419.677 GPRESSURE: 1312200 -549.015 -128.486 125.503 -59.6384 -479.96 -201.111 58.1744 -255.208 -452.16 PRESSAVG: 1312200 52.0439 -3.55146 23.3889 -3.55148 -39.3763 -21.0141 23.3889 -21.0141 -37.8586 GPRESSAVG: 1312200 51.4546 -6.21212 24.0998 -3.04875 -38.069 -20.1482 23.6271 -20.9638 -38.1994 TIMING: 1312200 CPU: 4147.26, 0.00316211/step Wall: 4147.26, 0.00316211/step, 3.23923 hours remaining, 234.492188 MB of memory in use. ENERGY: 1312200 4005.8661 20419.5783 14510.1298 233.4876 -203351.8170 2497.0700 0.0000 0.0000 52038.7000 -109646.9852 299.0671 -161685.6852 -109282.2195 299.1059 -523.3725 -493.7115 763742.9973 -8.3970 -8.2713 LDB: ============= START OF LOAD BALANCING ============== 4159.79 LDB: ============== END OF LOAD BALANCING =============== 4159.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4159.79 LDB: ============= START OF LOAD BALANCING ============== 4160.11 LDB: Largest compute 7060 load 0.034034 is 17.4% of average load 0.195394 LDB: Average compute 0.004392 is 2.2% of average load 0.195394 LDB: TIME 4160.11 LOAD: AVG 0.195394 MAX 0.212911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 4160.12 LOAD: AVG 0.195394 MAX 0.212911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: TIME 4160.12 LOAD: AVG 0.195394 MAX 0.212911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.879 MB LDB: ============== END OF LOAD BALANCING =============== 4160.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4160.12 PRESSURE: 1312400 -259.605 94.841 -79.2628 94.8402 -348.78 -152.238 -79.2623 -152.237 264.509 GPRESSURE: 1312400 -224.332 17.6738 -112.672 85.902 -298.331 -132.463 -122.684 -106.363 267.459 PRESSAVG: 1312400 28.9044 -36.4693 -4.25954 -36.4692 -50.2214 32.8771 -4.25956 32.8771 -15.5193 GPRESSAVG: 1312400 30.0676 -34.2474 -6.16528 -36.851 -51.5204 32.943 -5.49085 33.9155 -15.5708 TIMING: 1312400 CPU: 4147.91, 0.0032462/step Wall: 4147.91, 0.0032462/step, 3.32519 hours remaining, 233.390625 MB of memory in use. ENERGY: 1312400 3943.3381 20609.8094 14539.6674 241.4644 -203422.4651 2642.3156 0.0000 0.0000 51530.0880 -109915.7820 296.1441 -161445.8701 -109563.2188 297.9246 -114.6254 -85.0681 761833.4520 -12.2788 -12.3412 PRESSURE: 1312600 -135.965 -3.03882 -88.7816 -3.03899 -85.8045 45.5657 -88.7824 45.5649 -156.804 GPRESSURE: 1312600 -104.087 52.049 -50.6024 -50.4527 14.0319 38.6308 39.4391 -142.128 -186.706 PRESSAVG: 1312600 -8.6521 11.1352 29.6942 11.1351 -6.61348 70.1923 29.6942 70.1923 7.85201 GPRESSAVG: 1312600 -9.08097 10.9641 30.5482 11.2645 -7.14924 69.6924 31.3582 68.4797 8.58429 TIMING: 1312600 CPU: 4148.54, 0.00316597/step Wall: 4148.54, 0.00316597/step, 3.24283 hours remaining, 233.390625 MB of memory in use. ENERGY: 1312600 3978.6061 20496.8052 14465.4368 247.2474 -203502.5710 2629.4815 0.0000 0.0000 52068.4161 -109616.5779 299.2379 -161684.9940 -109251.1125 298.4268 -126.1910 -92.2537 763167.7745 -2.4712 -2.5486 PRESSURE: 1312800 43.6943 -13.3607 -115.002 -13.3618 -290.21 -186.43 -115.003 -186.43 -115.385 GPRESSURE: 1312800 18.1155 -72.327 -134.605 -13.738 -141.803 -178.017 -148.034 -86.4157 -146.896 PRESSAVG: 1312800 50.2561 14.6954 28.0936 14.6954 -33.0254 -25.2196 28.0936 -25.2196 -10.0467 GPRESSAVG: 1312800 50.132 12.6147 27.8403 17.145 -32.0805 -24.9134 26.124 -21.7036 -10.7449 TIMING: 1312800 CPU: 4149.17, 0.00316811/step Wall: 4149.17, 0.00316811/step, 3.24485 hours remaining, 233.390625 MB of memory in use. ENERGY: 1312800 3961.2298 20483.9498 14455.1015 251.0319 -203247.2083 2473.0363 0.0000 0.0000 52075.1634 -109547.6956 299.2767 -161622.8591 -109179.3592 299.2055 -120.6334 -90.1945 762613.8177 2.3946 2.4355 PRESSURE: 1313000 -163.372 155.405 181.621 155.404 155.451 62.5285 181.62 62.5273 -65.8359 GPRESSURE: 1313000 -131.945 163.851 87.0685 160.491 204.303 -20.7207 126.077 -13.0752 -70.6694 PRESSAVG: 1313000 20.5898 -9.51507 -21.7742 -9.51512 -8.08987 -30.9082 -21.7743 -30.9082 19.0086 GPRESSAVG: 1313000 21.0751 -8.29919 -22.1751 -10.2488 -8.61646 -31.186 -20.7475 -34.2285 19.1778 TIMING: 1313000 CPU: 4149.8, 0.00315413/step Wall: 4149.8, 0.00315413/step, 3.23036 hours remaining, 233.390625 MB of memory in use. ENERGY: 1313000 3972.1257 20391.8561 14477.7954 239.9645 -203629.1735 2782.7859 0.0000 0.0000 52165.2531 -109599.3928 299.7944 -161764.6459 -109231.6443 298.7670 -24.5855 0.5627 764024.5146 10.5029 10.5455 PRESSURE: 1313200 171.302 163.567 -193.492 163.568 33.2762 240.304 -193.492 240.305 337.568 GPRESSURE: 1313200 251.974 -0.0721686 -143.844 143.566 17.6119 246.436 -117.574 102.741 367.779 PRESSAVG: 1313200 25.6674 14.6856 -31.4185 14.6856 -24.7818 82.936 -31.4185 82.9359 -7.97521 GPRESSAVG: 1313200 26.2821 15.8914 -30.2578 12.8114 -26.1654 83.9591 -31.7173 82.5441 -7.46377 TIMING: 1313200 CPU: 4150.44, 0.003168/step Wall: 4150.44, 0.003168/step, 3.24438 hours remaining, 233.390625 MB of memory in use. ENERGY: 1313200 4025.6589 20481.0615 14543.8964 254.0634 -203319.5249 2786.0732 0.0000 0.0000 51648.6872 -109580.0843 296.8257 -161228.7715 -109240.7693 298.7748 180.7155 212.4547 762574.2161 -2.3632 -2.4490 PRESSURE: 1313400 215.609 62.8703 260.723 62.8705 -217.644 -58.5642 260.723 -58.5635 650.885 GPRESSURE: 1313400 284.077 49.9591 319.399 46.1225 -185.018 -7.64175 240.927 -143.446 643.876 PRESSAVG: 1313400 -27.8075 -4.743 -31.5146 -4.74295 -18.7731 23.7326 -31.5147 23.7326 -6.37935 GPRESSAVG: 1313400 -27.7235 -3.50112 -29.8649 -1.79822 -17.3274 23.5794 -29.5876 23.6277 -7.93842 TIMING: 1313400 CPU: 4151.07, 0.00315174/step Wall: 4151.07, 0.00315174/step, 3.22756 hours remaining, 233.390625 MB of memory in use. ENERGY: 1313400 3968.5438 20350.9340 14560.8214 236.3414 -203944.3787 3030.9536 0.0000 0.0000 52264.4600 -109532.3244 300.3646 -161796.7844 -109160.9705 298.7119 216.2837 247.6451 761737.8594 -17.6533 -17.6631 PRESSURE: 1313600 69.5147 99.9547 -66.2936 99.9537 -178.882 -207.673 -66.293 -207.672 -72.367 GPRESSURE: 1313600 163.673 63.8948 -33.4973 9.37241 -181.416 -200.447 -183.678 -111.413 -76.9471 PRESSAVG: 1313600 97.792 28.1307 6.58107 28.1307 -50.1954 -0.830701 6.58109 -0.830686 -2.77712 GPRESSAVG: 1313600 97.4987 27.3316 3.96192 26.7281 -49.8349 -0.997722 4.45194 -1.51939 -2.66225 TIMING: 1313600 CPU: 4151.7, 0.00314947/step Wall: 4151.7, 0.00314947/step, 3.22505 hours remaining, 233.390625 MB of memory in use. ENERGY: 1313600 3999.5734 20585.1744 14507.6328 237.5889 -203584.0993 2559.4249 0.0000 0.0000 52099.7086 -109594.9964 299.4177 -161694.7050 -109232.4412 298.8090 -60.5780 -31.5633 763232.7872 14.9398 15.0005 PRESSURE: 1313800 -293.911 -45.7269 -137.678 -45.7264 -66.4556 103.321 -137.679 103.321 -41.1959 GPRESSURE: 1313800 -185.335 -216.92 -111.694 -144.009 -98.2329 -18.8684 -155.186 98.2083 -25.5613 PRESSAVG: 1313800 14.7854 12.296 -29.7071 12.296 4.0612 -13.9717 -29.7071 -13.9716 14.0108 GPRESSAVG: 1313800 14.3675 10.9374 -28.8721 10.28 4.10537 -13.8905 -31.0798 -14.1909 14.7048 TIMING: 1313800 CPU: 4152.33, 0.00314735/step Wall: 4152.33, 0.00314735/step, 3.22271 hours remaining, 233.390625 MB of memory in use. ENERGY: 1313800 3951.0460 20836.4922 14424.6974 238.4546 -203569.2315 2546.6644 0.0000 0.0000 51855.3887 -109716.4883 298.0136 -161571.8770 -109361.6091 299.0839 -133.8542 -103.0432 762926.5086 10.9525 11.0592 PRESSURE: 1314000 -272.49 -108.595 104.781 -108.594 -334.118 -335.377 104.781 -335.376 -199.929 GPRESSURE: 1314000 -163.064 -143.19 73.9166 -106.495 -328.551 -411.836 98.1949 -65.9051 -256.178 PRESSAVG: 1314000 -8.42823 -21.3871 12.4697 -21.3871 -42.5393 24.981 12.4697 24.981 12.5332 GPRESSAVG: 1314000 -7.00092 -20.5944 12.9029 -18.7695 -43.3735 23.4924 14.2733 27.3891 11.736 TIMING: 1314000 CPU: 4152.96, 0.00314693/step Wall: 4152.96, 0.00314693/step, 3.22211 hours remaining, 233.390625 MB of memory 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 4036.0174 20512.8528 14506.1206 246.2582 -203331.7464 2416.5233 0.0000 0.0000 51832.2661 -109781.7081 297.8807 -161613.9742 -109420.6236 298.5262 -268.8457 -249.2648 762711.2988 -12.8114 -12.8795 PRESSURE: 1314200 191.813 136.919 19.7227 136.919 22.3909 -118.561 19.723 -118.561 -264.001 GPRESSURE: 1314200 140.021 119.775 -100.784 106.818 161.038 15.6894 38.6807 -45.6879 -257.84 PRESSAVG: 1314200 67.6458 -9.00481 -27.0556 -9.00473 -63.9884 -17.5237 -27.0555 -17.5237 -13.6337 GPRESSAVG: 1314200 65.7605 -8.45078 -29.6833 -10.6485 -62.4253 -16.5692 -24.6507 -17.1559 -13.3307 TIMING: 1314200 CPU: 4153.58, 0.00314108/step Wall: 4153.58, 0.00314108/step, 3.21594 hours remaining, 233.390625 MB of memory in use. ENERGY: 1314200 4018.0320 20518.9758 14509.2847 242.0504 -203765.9166 2683.3042 0.0000 0.0000 52299.0126 -109495.2569 300.5631 -161794.2695 -109134.3332 298.7905 -16.5989 14.4066 761239.9109 -3.3254 -3.3318 PRESSURE: 1314400 -400.451 -33.8264 47.6301 -33.8268 -408.671 198.966 47.6303 198.965 -159.201 GPRESSURE: 1314400 -300.169 -11.4562 -76.2989 -150.213 -468.704 98.4703 84.6888 95.4288 -86.3702 PRESSAVG: 1314400 27.5555 -24.6592 -2.20192 -24.6592 -11.7547 -7.01522 -2.20187 -7.01526 -11.0452 GPRESSAVG: 1314400 28.1299 -25.1333 -1.66695 -25.6399 -11.8529 -6.61206 -3.09319 -9.34697 -11.2101 TIMING: 1314400 CPU: 4154.21, 0.00314125/step Wall: 4154.21, 0.00314125/step, 3.21594 hours remaining, 233.390625 MB of memory in use. ENERGY: 1314400 4022.8089 20358.0637 14518.9778 250.8071 -203355.7452 2620.4007 0.0000 0.0000 52040.4668 -109544.2201 299.0773 -161584.6869 -109164.9600 299.1112 -322.7745 -285.0810 762176.3174 1.5852 1.6890 PRESSURE: 1314600 43.6672 -21.9672 38.9409 -21.9667 105.573 303.62 38.9406 303.621 -11.5258 GPRESSURE: 1314600 54.8405 -13.9052 81.3908 47.53 151.291 354.702 146.783 281.705 31.7671 PRESSAVG: 1314600 -17.5865 16.263 12.0978 16.263 -82.7392 25.3114 12.0977 25.3116 16.4494 GPRESSAVG: 1314600 -17.2219 15.4897 12.1888 17.8262 -82.1176 25.7087 10.9987 26.2659 15.5216 TIMING: 1314600 CPU: 4154.84, 0.0031561/step Wall: 4154.84, 0.0031561/step, 3.23097 hours remaining, 233.390625 MB of memory in use. ENERGY: 1314600 4018.3804 20481.3083 14584.6948 251.5963 -204209.3393 3311.6225 0.0000 0.0000 52124.5751 -109437.1619 299.5606 -161561.7371 -109077.2165 299.1086 45.9049 79.2996 763357.9482 -27.9588 -27.9393 PRESSURE: 1314800 149.769 -117.962 107.528 -117.962 106.049 -136.072 107.527 -136.071 77.9488 GPRESSURE: 1314800 175.222 -96.9515 -26.8416 -5.93075 144.205 -56.7766 104.169 -154.157 120.663 PRESSAVG: 1314800 11.978 -16.2839 19.4235 -16.2839 40.3616 49.9602 19.4235 49.9602 -12.8365 GPRESSAVG: 1314800 11.7389 -15.0808 19.7487 -16.2234 39.2236 49.6553 18.8081 49.3773 -11.4652 TIMING: 1314800 CPU: 4155.47, 0.00315564/step Wall: 4155.47, 0.00315564/step, 3.23032 hours remaining, 233.390625 MB of memory in use. ENERGY: 1314800 4027.1602 20554.5167 14570.3759 251.4505 -203957.5862 3154.2250 0.0000 0.0000 52086.6612 -109313.1966 299.3428 -161399.8578 -108943.6921 299.3702 111.2554 146.6965 761751.0858 13.1677 13.1657 PRESSURE: 1315000 -68.1183 -365.92 102.282 -365.92 -360.566 32.469 102.282 32.4695 -300.519 GPRESSURE: 1315000 -89.7608 -349.324 170.534 -340.063 -281.607 14.3584 70.1115 -55.5626 -270.614 PRESSAVG: 1315000 48.1346 0.449597 43.4076 0.449565 -50.2076 24.1992 43.4076 24.1993 18.2187 GPRESSAVG: 1315000 47.9418 -0.891229 43.5241 -0.543471 -50.4088 23.0481 43.5909 24.2907 18.8469 TIMING: 1315000 CPU: 4156.1, 0.00314586/step Wall: 4156.1, 0.00314586/step, 3.22013 hours remaining, 233.390625 MB of memory in use. ENERGY: 1315000 4055.2841 20664.3785 14549.8047 254.5636 -203452.6218 2742.2875 0.0000 0.0000 52065.0906 -109121.2128 299.2188 -161186.3034 -108763.7740 299.5527 -243.0677 -213.9938 765091.6654 5.3819 5.4599 PRESSURE: 1315200 -188.746 -56.6569 -125.014 -56.6568 -80.4415 161.398 -125.014 161.398 -207.086 GPRESSURE: 1315200 -74.5145 -113.367 -167.723 -206.843 -52.1745 139.294 -22.1921 124.521 -257.127 PRESSAVG: 1315200 -37.6316 -29.8261 1.87761 -29.8262 15.4122 35.8681 1.87764 35.8682 0.996756 GPRESSAVG: 1315200 -36.9852 -30.0533 3.78991 -29.3985 15.9698 35.3864 2.25822 37.0883 0.21586 TIMING: 1315200 CPU: 4156.73, 0.00314765/step Wall: 4156.73, 0.00314765/step, 3.22179 hours remaining, 233.390625 MB of memory in use. ENERGY: 1315200 4087.6177 20501.0109 14557.4456 261.9312 -203458.4061 2734.7461 0.0000 0.0000 52119.4175 -109196.2371 299.5310 -161315.6546 -108835.7705 299.4697 -158.7581 -127.9387 764508.8059 -7.0742 -6.9332 PRESSURE: 1315400 -178.479 -94.0354 91.2071 -94.0361 190.853 147.897 91.2069 147.898 284.709 GPRESSURE: 1315400 -93.1358 1.01553 66.1438 -62.2586 229.143 210.237 16.8327 349.657 236.671 PRESSAVG: 1315400 -8.50236 -84.5893 -25.8911 -84.5894 -9.10497 -59.6018 -25.8912 -59.6017 37.1578 GPRESSAVG: 1315400 -9.15612 -83.4217 -28.3418 -85.1134 -8.53664 -59.0783 -26.7216 -58.6153 36.9021 TIMING: 1315400 CPU: 4157.36, 0.00313662/step Wall: 4157.36, 0.00313662/step, 3.21033 hours remaining, 233.390625 MB of memory in use. ENERGY: 1315400 3988.0040 20785.5131 14561.1633 231.6402 -203423.5362 2626.0127 0.0000 0.0000 52054.1651 -109177.0378 299.1560 -161231.2030 -108824.2025 299.5893 99.0276 124.2261 762519.0120 6.5168 6.4031 PRESSURE: 1315600 -95.7618 96.8205 -55.8813 96.8207 178.652 108.323 -55.8808 108.323 123.682 GPRESSURE: 1315600 11.6909 67.0475 -27.9478 82.9023 100.689 96.9724 -103.802 222.678 168.202 PRESSAVG: 1315600 -16.7023 20.2017 56.2805 20.2017 -17.9944 35.1229 56.2806 35.1229 -16.198 GPRESSAVG: 1315600 -16.9874 18.2437 56.785 23.1277 -17.7294 35.5794 55.9692 34.851 -15.954 TIMING: 1315600 CPU: 4157.99, 0.00316217/step Wall: 4157.99, 0.00316217/step, 3.23631 hours remaining, 233.390625 MB of memory in use. ENERGY: 1315600 3940.1304 20755.6679 14554.0796 241.1885 -203687.0586 2739.4568 0.0000 0.0000 52277.9381 -109178.5973 300.4420 -161456.5353 -108824.4704 299.9011 68.8573 93.5273 762153.7479 -16.9649 -16.8902 PRESSURE: 1315800 -95.3594 13.7211 43.8029 13.721 292.517 -0.018349 43.8036 -0.0178759 -140.395 GPRESSURE: 1315800 -1.33542 8.88514 240.193 -19.3806 294.892 29.6579 99.2703 38.5564 -143.621 PRESSAVG: 1315800 -36.1243 -27.5591 42.1984 -27.5591 33.6252 5.5832 42.1983 5.58312 16.058 GPRESSAVG: 1315800 -34.0012 -26.9812 43.693 -26.5428 32.457 5.70667 42.1216 5.3682 15.2 TIMING: 1315800 CPU: 4158.63, 0.00316151/step Wall: 4158.63, 0.00316151/step, 3.23545 hours remaining, 233.390625 MB of memory in use. ENERGY: 1315800 3842.8084 20678.1814 14507.4153 242.4310 -203203.0668 2487.5678 0.0000 0.0000 52157.9907 -109286.6721 299.7527 -161444.6629 -108919.9234 299.8562 18.9208 49.9784 763548.6576 4.5196 4.5519 PRESSURE: 1316000 -100.411 237.524 142.899 237.524 -175.107 324.186 142.899 324.187 44.1465 GPRESSURE: 1316000 -54.8174 139.899 151.835 188.565 -110.543 354.098 61.9413 239.56 6.55118 PRESSAVG: 1316000 -46.8961 -9.38034 27.7548 -9.38035 53.7195 33.4039 27.7548 33.4039 2.99176 GPRESSAVG: 1316000 -48.7061 -7.55892 26.8276 -11.915 53.1837 33.8016 28.36 32.7017 5.05886 TIMING: 1316000 CPU: 4159.26, 0.00316214/step Wall: 4159.26, 0.00316214/step, 3.23592 hours remaining, 233.390625 MB of memory 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 4051.5829 20665.1589 14519.8157 247.1349 -203177.0502 2702.4306 0.0000 0.0000 51729.1791 -109261.7482 297.2883 -160990.9273 -108909.2625 299.1910 -77.1237 -52.9365 762349.1481 3.2717 3.1788 PRESSURE: 1316200 -128.038 -173.781 -54.5031 -173.781 23.9268 360.079 -54.5027 360.079 245.958 GPRESSURE: 1316200 -19.2661 -176.088 -131.772 -204.312 11.0832 410.976 -10.9418 274.071 237.473 PRESSAVG: 1316200 -54.6166 -1.70906 -6.21969 -1.70899 35.8846 -10.6159 -6.21964 -10.616 28.8569 GPRESSAVG: 1316200 -54.002 -3.59314 -6.90187 -2.53013 36.6206 -11.6944 -5.98467 -11.247 27.1406 TIMING: 1316200 CPU: 4159.89, 0.00314661/step Wall: 4159.89, 0.00314661/step, 3.21986 hours remaining, 233.390625 MB of memory in use. ENERGY: 1316200 3981.8409 20542.2566 14568.2660 236.0278 -203421.4152 2616.7041 0.0000 0.0000 52182.5396 -109293.7801 299.8938 -161476.3197 -108936.3507 298.8965 47.2825 76.4301 761856.7226 3.3749 3.2531 LDB: ============= START OF LOAD BALANCING ============== 4172.42 LDB: ============== END OF LOAD BALANCING =============== 4172.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4172.42 LDB: ============= START OF LOAD BALANCING ============== 4172.74 LDB: Largest compute 7060 load 0.031282 is 16.0% of average load 0.195384 LDB: Average compute 0.004397 is 2.3% of average load 0.195384 LDB: TIME 4172.74 LOAD: AVG 0.195384 MAX 0.216023 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 4172.74 LOAD: AVG 0.195384 MAX 0.216023 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 4172.74 LOAD: AVG 0.195384 MAX 0.216023 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 4172.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4172.75 PRESSURE: 1316400 -424.564 -6.48779 -133.887 -6.48748 -52.258 -120.718 -133.888 -120.717 -286.904 GPRESSURE: 1316400 -322.182 17.9545 -71.789 62.2469 -61.4201 -96.8195 -13.2079 -86.8336 -285.292 PRESSAVG: 1316400 -48.6431 -38.0101 4.36836 -38.01 54.8507 30.0883 4.36832 30.0882 0.443548 GPRESSAVG: 1316400 -47.9319 -38.9469 4.45506 -36.4353 55.7686 32.2536 4.56878 29.7969 -0.933111 TIMING: 1316400 CPU: 4160.53, 0.00323283/step Wall: 4160.53, 0.00323283/step, 3.3079 hours remaining, 234.613281 MB of memory in use. ENERGY: 1316400 3986.5060 20666.9933 14582.7364 239.8579 -203151.8563 2418.8220 0.0000 0.0000 51947.1091 -109309.8316 298.5407 -161256.9407 -108950.4341 299.3541 -254.5753 -222.9646 762776.7109 2.2170 2.3012 PRESSURE: 1316600 186.509 -175.91 133.042 -175.91 107.846 52.5491 133.042 52.5489 191.042 GPRESSURE: 1316600 190.755 -146.313 207.861 -72.1307 130.665 18.5213 195.908 13.4376 232.926 PRESSAVG: 1316600 -15.6703 -15.3693 1.01184 -15.3693 60.3822 -23.4597 1.01185 -23.4597 20.1056 GPRESSAVG: 1316600 -16.0348 -14.6041 1.26407 -15.4026 58.3446 -25.864 3.20576 -21.3664 22.0036 TIMING: 1316600 CPU: 4161.17, 0.00318096/step Wall: 4161.17, 0.00318096/step, 3.25465 hours remaining, 234.613281 MB of memory in use. ENERGY: 1316600 3950.9992 20571.1349 14525.9974 265.6703 -203544.6535 2797.9996 0.0000 0.0000 52193.3050 -109239.5470 299.9556 -161432.8520 -108872.2032 299.3549 161.7988 184.7819 762455.3967 21.6058 21.4378 PRESSURE: 1316800 522.214 -355.211 -9.47152 -355.21 161.731 241.036 -9.47153 241.036 36.2729 GPRESSURE: 1316800 548.847 -323.865 -107.095 -222.882 224.47 192.401 45.2702 232.817 17.748 PRESSAVG: 1316800 15.8329 -38.7726 -15.7979 -38.7727 -15.0898 7.88407 -15.7978 7.88399 5.25774 GPRESSAVG: 1316800 14.8708 -38.0814 -16.0335 -40.1322 -13.8705 9.78674 -19.4578 8.02346 5.38846 TIMING: 1316800 CPU: 4161.8, 0.00315982/step Wall: 4161.8, 0.00315982/step, 3.23285 hours remaining, 234.613281 MB of memory in use. ENERGY: 1316800 3957.3243 20647.4200 14567.4991 258.7325 -203668.0108 2825.4355 0.0000 0.0000 52052.0411 -109359.5582 299.1438 -161411.5993 -108995.1999 299.7977 240.0729 263.6882 761816.4472 2.0003 2.1296 PRESSURE: 1317000 -16.1113 42.8072 -87.0641 42.8076 -69.9079 -59.5058 -87.0643 -59.5057 1.83888 GPRESSURE: 1317000 55.9649 78.0271 -110.999 12.1522 -9.23166 -31.2322 -57.7129 -105.353 -46.1328 PRESSAVG: 1317000 -20.091 -35.9825 -41.6266 -35.9825 23.3745 7.79694 -41.6267 7.79691 -9.55081 GPRESSAVG: 1317000 -18.9187 -35.7608 -40.9154 -35.151 23.6916 7.59469 -41.9958 7.80144 -10.0051 TIMING: 1317000 CPU: 4162.43, 0.00315314/step Wall: 4162.43, 0.00315314/step, 3.22583 hours remaining, 234.613281 MB of memory in use. ENERGY: 1317000 4056.7814 20553.5554 14529.2299 248.1550 -203356.3533 2565.8286 0.0000 0.0000 51973.6092 -109429.1938 298.6930 -161402.8030 -109070.5364 298.8858 -28.0601 0.2001 762207.9856 -2.0891 -1.7440 PRESSURE: 1317200 -45.7466 -18.0056 96.1332 -18.0059 4.11958 -111.98 96.134 -111.98 128.22 GPRESSURE: 1317200 40.1237 162.529 83.3285 -15.6683 29.3692 -88.0589 91.1139 -71.3378 98.6314 PRESSAVG: 1317200 -20.7628 -7.70411 22.2547 -7.70412 7.90395 -13.2714 22.2547 -13.2714 10.7748 GPRESSAVG: 1317200 -21.944 -6.36881 22.7089 -7.75542 7.72121 -14.5474 22.4966 -13.8633 11.6992 TIMING: 1317200 CPU: 4163.06, 0.00315483/step Wall: 4163.06, 0.00315483/step, 3.22739 hours remaining, 234.613281 MB of memory in use. ENERGY: 1317200 3963.4527 20553.0646 14528.3914 226.1119 -203899.4774 2933.2354 0.0000 0.0000 52162.9079 -109532.3136 299.7809 -161695.2215 -109163.3091 298.8916 28.8642 56.0414 761846.2999 -0.6947 -0.8412 PRESSURE: 1317400 -137.758 85.4475 -82.0459 85.4466 54.0756 213.17 -82.0467 213.172 -38.7576 GPRESSURE: 1317400 -111.186 42.1234 -131.791 17.7467 53.0838 266.984 -70.0721 159.575 12.1922 PRESSAVG: 1317400 -11.0613 -37.7472 -54.3959 -37.7472 3.7873 -32.3974 -54.396 -32.3975 -5.2489 GPRESSAVG: 1317400 -9.90859 -39.317 -57.0843 -36.844 3.90926 -32.1392 -53.6325 -30.4896 -6.2599 TIMING: 1317400 CPU: 4163.69, 0.00314766/step Wall: 4163.69, 0.00314766/step, 3.21988 hours remaining, 234.613281 MB of memory in use. ENERGY: 1317400 3993.5075 20634.6978 14520.1068 235.3963 -204003.7161 2867.1689 0.0000 0.0000 52424.3162 -109328.5226 301.2833 -161752.8388 -108963.6979 299.3644 -40.8132 -15.3032 762374.3626 -4.1743 -4.0864 PRESSURE: 1317600 -126.062 -176.635 -195.842 -176.635 202.018 47.5824 -195.842 47.5827 214.389 GPRESSURE: 1317600 -37.1443 -218.365 -191.097 -60.6318 209.917 29.4959 -174.681 -22.8458 217.593 PRESSAVG: 1317600 -6.43635 -28.495 39.9958 -28.495 37.113 44.2666 39.9958 44.2666 12.5368 GPRESSAVG: 1317600 -6.56039 -27.6147 40.9749 -28.9902 37.9078 44.8423 39.3747 42.3725 12.3696 TIMING: 1317600 CPU: 4164.32, 0.00315619/step Wall: 4164.32, 0.00315619/step, 3.22843 hours remaining, 234.613281 MB of memory in use. ENERGY: 1317600 4057.4525 20766.3393 14541.9981 247.6690 -203612.3631 2767.1112 0.0000 0.0000 52049.1542 -109182.6388 299.1272 -161231.7930 -108825.3781 299.9587 96.7819 130.1221 763012.2473 14.4045 14.5723 PRESSURE: 1317800 258.694 27.1854 -39.7485 27.1848 -63.4543 -238.565 -39.7489 -238.566 131.544 GPRESSURE: 1317800 267.56 31.7279 -23.0292 66.7353 31.1249 -279.113 -130.625 -196.331 106.17 PRESSAVG: 1317800 3.92677 -6.23096 -39.5799 -6.23095 0.544488 1.48966 -39.5799 1.48972 -6.51483 GPRESSAVG: 1317800 3.74261 -6.25021 -39.2262 -6.67244 -0.117846 0.821661 -39.1254 2.4135 -6.33959 TIMING: 1317800 CPU: 4164.95, 0.00315025/step Wall: 4164.95, 0.00315025/step, 3.22218 hours remaining, 234.613281 MB of memory in use. ENERGY: 1317800 3999.7337 20554.5717 14557.1299 256.1684 -203630.7557 2691.6065 0.0000 0.0000 52098.7762 -109472.7693 299.4124 -161571.5455 -109114.9905 299.4924 108.9279 134.9517 761985.7405 -0.6812 -0.9049 PRESSURE: 1318000 -167.413 109.749 -56.3437 109.749 -122.833 149.737 -56.3434 149.736 -427.484 GPRESSURE: 1318000 -193.392 114.121 -52.8356 -50.59 -127.965 71.858 -120.4 247.903 -322.64 PRESSAVG: 1318000 57.2534 -7.08696 -6.51146 -7.08695 -39.2821 11.6719 -6.51144 11.6719 -11.6589 GPRESSAVG: 1318000 56.9322 -6.85316 -6.67891 -7.6314 -39.3387 11.5099 -5.82524 11.4834 -10.9871 TIMING: 1318000 CPU: 4165.58, 0.00315236/step Wall: 4165.58, 0.00315236/step, 3.22416 hours remaining, 234.613281 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: 1318000 4036.8802 20533.2524 14488.8412 228.6355 -203462.6608 2625.6858 0.0000 0.0000 52061.6206 -109487.7451 299.1988 -161549.3658 -109122.7942 298.9788 -239.2433 -214.6657 764425.0898 2.1041 2.2022 PRESSURE: 1318200 61.7194 114.715 12.2422 114.714 19.0313 12.4955 12.2406 12.4958 -377.748 GPRESSURE: 1318200 75.4931 131.263 -23.3553 127.527 24.1959 179.992 28.6192 -43.8291 -320.36 PRESSAVG: 1318200 67.7089 27.5603 -6.47972 27.5603 -27.0457 22.8852 -6.47974 22.8852 14.5622 GPRESSAVG: 1318200 67.9099 27.2476 -5.93784 27.8098 -27.8025 23.5789 -8.41688 22.135 15.0406 TIMING: 1318200 CPU: 4166.21, 0.00315114/step Wall: 4166.21, 0.00315114/step, 3.22274 hours remaining, 234.613281 MB of memory in use. ENERGY: 1318200 4091.0461 20526.6949 14616.0836 237.2240 -203546.2016 2630.2162 0.0000 0.0000 51972.6795 -109472.2573 298.6877 -161444.9368 -109105.6141 299.3485 -98.9991 -73.5569 760944.2877 18.4085 18.3826 PRESSURE: 1318400 -131.006 -57.4546 -34.6339 -57.4546 -223.062 -32.3895 -34.6348 -32.3904 148.203 GPRESSURE: 1318400 -76.3816 -54.4189 -3.65137 11.9598 -126.886 -90.2728 -39.7026 -72.2547 85.2948 PRESSAVG: 1318400 27.1111 7.8425 -105.449 7.84246 4.58578 29.6847 -105.45 29.6847 3.95522 GPRESSAVG: 1318400 27.6665 8.17476 -106.751 9.3143 4.8615 28.8686 -102.446 29.6651 2.96271 TIMING: 1318400 CPU: 4166.84, 0.00313942/step Wall: 4166.84, 0.00313942/step, 3.21058 hours remaining, 234.613281 MB of memory in use. ENERGY: 1318400 3915.2033 20701.0602 14576.1152 259.2379 -203395.7518 2555.7104 0.0000 0.0000 52103.4529 -109284.9719 299.4393 -161388.4248 -108933.8483 299.1854 -68.6217 -39.3244 763241.3806 11.8840 11.8302 PRESSURE: 1318600 459.738 -316.84 -75.0971 -316.84 -372.413 -63.8738 -75.0975 -63.8724 -55.1497 GPRESSURE: 1318600 461.153 -315.243 -80.0381 -298.251 -246.733 -129.628 -135.083 35.0844 -88.9716 PRESSAVG: 1318600 6.52242 14.3041 -42.054 14.3041 8.42843 20.4749 -42.0539 20.4749 -13.0389 GPRESSAVG: 1318600 6.25753 13.9424 -40.0054 12.5388 9.08888 20.4137 -43.3745 20.5749 -12.794 TIMING: 1318600 CPU: 4167.47, 0.00315518/step Wall: 4167.47, 0.00315518/step, 3.22652 hours remaining, 234.613281 MB of memory in use. ENERGY: 1318600 4014.9867 20510.6616 14485.3284 231.1638 -203584.4727 2803.3912 0.0000 0.0000 52178.3986 -109360.5424 299.8700 -161538.9410 -108994.8380 299.4564 10.7250 41.8160 761339.0843 0.6373 0.8508 PRESSURE: 1318800 -106.918 -74.8864 -31.4508 -74.8868 69.9917 81.6136 -31.4503 81.6128 -114.262 GPRESSURE: 1318800 -33.1809 -95.1246 -102.762 19.2234 14.0388 134.236 -24.5159 61.0553 -53.9338 PRESSAVG: 1318800 18.2471 12.3495 -48.3313 12.3495 -35.2549 -77.2443 -48.3313 -77.2444 5.26662 GPRESSAVG: 1318800 18.5803 12.3193 -50.9167 13.553 -35.172 -76.5065 -46.8268 -78.4398 4.73232 TIMING: 1318800 CPU: 4168.11, 0.00315673/step Wall: 4168.11, 0.00315673/step, 3.22793 hours remaining, 234.613281 MB of memory in use. ENERGY: 1318800 4037.3810 20554.8215 14455.6926 254.8761 -203431.6500 2719.3321 0.0000 0.0000 52062.2612 -109347.2855 299.2025 -161409.5466 -108986.2024 298.9649 -50.3961 -24.3586 761838.4141 -3.9137 -3.9531 PRESSURE: 1319000 215.377 -158.142 70.8095 -158.141 -94.8512 -97.3093 70.8095 -97.3089 -18.6231 GPRESSURE: 1319000 168.001 -140.683 126.223 -191.531 2.97265 -58.0286 -118.297 -126.092 15.6428 PRESSAVG: 1319000 -18.0751 48.6682 -31.7142 48.6682 64.3587 18.9637 -31.7142 18.9636 2.12078 GPRESSAVG: 1319000 -17.9028 46.5844 -30.2914 50.8493 63.9706 17.8475 -30.4804 19.0514 2.56783 TIMING: 1319000 CPU: 4168.73, 0.00314729/step Wall: 4168.73, 0.00314729/step, 3.2181 hours remaining, 234.613281 MB of memory in use. ENERGY: 1319000 3950.2884 20698.0089 14497.4968 233.6552 -202927.5689 2363.4285 0.0000 0.0000 51940.8506 -109243.8407 298.5048 -161184.6912 -108882.8723 299.5679 33.9676 62.2056 761485.9918 16.1348 16.2119 PRESSURE: 1319200 171.321 247.422 30.4923 247.421 -210.059 -189.37 30.4923 -189.371 -191.977 GPRESSURE: 1319200 142.735 264.566 -27.8789 165.691 -115.402 -157.528 52.268 -85.2489 -165.91 PRESSAVG: 1319200 9.90835 -40.4845 -2.49325 -40.4845 40.4737 -0.860681 -2.49333 -0.86066 13.6906 GPRESSAVG: 1319200 9.00043 -39.5538 -4.51792 -43.1561 42.0015 -1.33516 -5.24073 1.5651 13.3748 TIMING: 1319200 CPU: 4169.36, 0.00312694/step Wall: 4169.36, 0.00312694/step, 3.19712 hours remaining, 234.613281 MB of memory in use. ENERGY: 1319200 4078.0273 20604.8864 14504.5401 226.6247 -203768.2599 2980.5967 0.0000 0.0000 52013.0105 -109360.5742 298.9195 -161373.5848 -109001.4706 299.4350 -76.9050 -46.1924 761485.6429 21.3576 21.4589 PRESSURE: 1319400 52.6073 161.337 -70.7932 161.338 28.861 -219.575 -70.7928 -219.576 -153.097 GPRESSURE: 1319400 72.6391 191.748 -80.3432 179.255 29.384 -243.097 -121.555 -241.193 -101.815 PRESSAVG: 1319400 -15.2934 19.0665 -60.3097 19.0665 -6.64485 -7.06683 -60.3096 -7.06684 24.3648 GPRESSAVG: 1319400 -14.9804 21.9339 -57.6318 17.9368 -7.13221 -8.54015 -60.7687 -7.9933 24.6966 TIMING: 1319400 CPU: 4169.99, 0.00315222/step Wall: 4169.99, 0.00315222/step, 3.22279 hours remaining, 234.613281 MB of memory in use. ENERGY: 1319400 4036.2870 20545.3104 14492.3710 245.2373 -203693.3770 2814.7390 0.0000 0.0000 52241.6901 -109317.7422 300.2337 -161559.4323 -108939.1389 299.1990 -23.8762 0.0694 763588.4593 0.8089 0.8613 PRESSURE: 1319600 -38.546 54.6208 -240.598 54.6222 -193.665 -167.691 -240.598 -167.691 -398.091 GPRESSURE: 1319600 -37.4117 -85.1095 -168.954 -17.2075 -139.307 -141.393 -296.554 -131.039 -387.979 PRESSAVG: 1319600 -34.2876 5.98149 -26.6654 5.98142 33.1882 38.2044 -26.6654 38.2044 2.16928 GPRESSAVG: 1319600 -33.9121 1.39069 -29.3407 7.76559 33.077 41.1086 -24.0936 37.391 1.71913 TIMING: 1319600 CPU: 4170.62, 0.00316563/step Wall: 4170.62, 0.00316563/step, 3.23633 hours remaining, 234.613281 MB of memory in use. ENERGY: 1319600 3976.3921 20532.5065 14459.2785 240.8650 -203365.2327 2591.2412 0.0000 0.0000 52349.0654 -109215.8840 300.8508 -161564.9494 -108846.6840 299.6867 -210.1005 -188.2326 762167.1794 0.3566 0.2947 PRESSURE: 1319800 -178.052 172.058 80.7102 172.058 -24.9986 30.6323 80.7098 30.6328 175.091 GPRESSURE: 1319800 -209.644 46.7041 85.415 162.561 52.735 46.9482 69.64 -21.7908 206.779 PRESSAVG: 1319800 23.773 -25.5133 -49.9083 -25.5134 -55.3423 29.2355 -49.9083 29.2355 -0.154827 GPRESSAVG: 1319800 22.6454 -22.9426 -48.0728 -26.7144 -55.5102 28.5907 -51.3658 29.1856 0.675967 TIMING: 1319800 CPU: 4171.25, 0.00314598/step Wall: 4171.25, 0.00314598/step, 3.21606 hours remaining, 234.613281 MB of memory in use. ENERGY: 1319800 3986.0306 20750.2165 14510.9292 229.1230 -203442.4449 2958.6453 0.0000 0.0000 51859.4545 -109148.0457 298.0370 -161007.5002 -108789.8347 299.7450 -9.3199 16.6235 764348.9839 -10.5747 -10.7296 PRESSURE: 1320000 117.912 -187.248 218.771 -187.248 248.14 70.7062 218.771 70.7057 243.892 GPRESSURE: 1320000 181.359 -83.7246 149.562 -147.003 226.35 12.4362 160.294 -7.25738 298.536 PRESSAVG: 1320000 -4.43335 -19.3239 8.04351 -19.324 36.5102 67.956 8.04351 67.9559 -11.3912 GPRESSAVG: 1320000 -3.15944 -19.2898 7.09149 -16.8202 35.9608 67.6719 9.69392 66.5828 -11.6185 TIMING: 1320000 CPU: 4171.88, 0.00315454/step Wall: 4171.88, 0.00315454/step, 3.22464 hours remaining, 234.613281 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: 1320000 3953.4873 20745.2054 14524.4585 233.7372 -203390.9369 2879.2900 0.0000 0.0000 52076.0896 -108978.6690 299.2820 -161054.7586 -108618.3133 300.1374 203.3145 235.4148 764188.9970 6.8952 7.0609 PRESSURE: 1320200 -475.577 -52.2344 -110.672 -52.2344 -137.219 -125.273 -110.671 -125.273 -68.7619 GPRESSURE: 1320200 -449.91 -137.591 -206.386 -64.9131 -149.406 -83.6754 -99.5886 -63.5836 -16.9586 PRESSAVG: 1320200 -19.8598 -36.0136 -40.6699 -36.0135 -27.6511 40.8284 -40.6699 40.8284 5.24051 GPRESSAVG: 1320200 -20.9139 -34.0176 -40.8791 -40.2652 -26.7715 39.4655 -42.4963 43.6949 4.86399 TIMING: 1320200 CPU: 4172.52, 0.00316272/step Wall: 4172.52, 0.00316272/step, 3.23282 hours remaining, 234.613281 MB of memory in use. ENERGY: 1320200 4058.2597 20519.4405 14505.3869 269.4348 -203016.2642 2614.4527 0.0000 0.0000 52148.3761 -108900.9137 299.6974 -161049.2897 -108541.5134 299.9068 -227.1861 -205.4249 765414.0227 -14.0901 -14.2738 LDB: ============= START OF LOAD BALANCING ============== 4185.05 LDB: ============== END OF LOAD BALANCING =============== 4185.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4185.05 LDB: ============= START OF LOAD BALANCING ============== 4185.37 LDB: Largest compute 7060 load 0.030352 is 15.5% of average load 0.195375 LDB: Average compute 0.004411 is 2.3% of average load 0.195375 LDB: TIME 4185.37 LOAD: AVG 0.195375 MAX 0.215966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.934 MB LDB: TIME 4185.37 LOAD: AVG 0.195375 MAX 0.215966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.934 MB LDB: TIME 4185.37 LOAD: AVG 0.195375 MAX 0.215966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.934 MB LDB: ============== END OF LOAD BALANCING =============== 4185.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4185.38 PRESSURE: 1320400 59.365 -52.8486 264.077 -52.8486 -55.5666 91.9702 264.077 91.9709 71.6249 GPRESSURE: 1320400 16.2608 -0.80946 222.728 -46.6237 73.4896 119.86 189.836 97.6694 89.7927 PRESSAVG: 1320400 20.0896 -19.2143 25.4728 -19.2143 27.6947 12.2165 25.4728 12.2165 -5.15827 GPRESSAVG: 1320400 20.3061 -20.9129 25.0292 -17.601 27.8916 13.0275 26.6448 10.1629 -6.12723 TIMING: 1320400 CPU: 4173.16, 0.00322906/step Wall: 4173.16, 0.00322906/step, 3.30046 hours remaining, 234.675781 MB of memory in use. ENERGY: 1320400 3940.1229 20547.5645 14528.9417 241.2219 -203070.1222 2680.9697 0.0000 0.0000 52268.0243 -108863.2772 300.3851 -161131.3015 -108486.5708 300.3203 25.1411 59.8477 765537.1650 14.2087 14.0235 PRESSURE: 1320600 -26.0738 -167.611 -25.9284 -167.61 -207.683 -88.3907 -25.9281 -88.3903 -47.5114 GPRESSURE: 1320600 -17.1563 -129.667 -55.8653 -188.661 -174.18 -137.002 -202.544 -150.21 1.56227 PRESSAVG: 1320600 22.791 44.3704 -17.4108 44.3704 31.5889 16.3294 -17.4109 16.3294 -2.65825 GPRESSAVG: 1320600 22.082 45.4639 -16.4837 44.9916 31.0198 18.044 -18.4037 16.1432 -1.43838 TIMING: 1320600 CPU: 4173.79, 0.00314983/step Wall: 4173.79, 0.00314983/step, 3.21931 hours remaining, 234.730469 MB of memory in use. ENERGY: 1320600 4007.1183 20596.1573 14574.7082 247.9779 -203566.4362 2943.6358 0.0000 0.0000 52342.3594 -108854.4793 300.8123 -161196.8387 -108497.8623 300.3591 -93.7559 -63.2579 764478.8852 17.2406 17.2211 PRESSURE: 1320800 19.9738 -81.876 -273.025 -81.8758 -134.765 42.4621 -273.025 42.4617 495.781 GPRESSURE: 1320800 98.4511 -98.967 -284.088 76.0295 -36.3629 25.5974 -265.098 93.9626 428.288 PRESSAVG: 1320800 29.0794 -60.2174 -32.9973 -60.2173 -15.624 -40.3466 -32.9973 -40.3466 15.8049 GPRESSAVG: 1320800 29.5453 -61.8471 -31.8813 -58.0957 -16.2644 -40.7087 -33.468 -41.3518 15.4318 TIMING: 1320800 CPU: 4174.42, 0.00316086/step Wall: 4174.42, 0.00316086/step, 3.2304 hours remaining, 234.730469 MB of memory in use. ENERGY: 1320800 3963.1477 20562.3910 14560.9937 244.9571 -203652.2922 3028.8136 0.0000 0.0000 52444.0206 -108847.9685 301.3965 -161291.9891 -108487.9846 300.1408 126.9969 163.4586 763829.4808 9.7534 9.5709 PRESSURE: 1321000 -105.243 -48.2834 57.4185 -48.2839 345.442 231.937 57.4182 231.937 -180.72 GPRESSURE: 1321000 -85.2025 -15.8089 174.691 16.3418 329.466 268.635 21.3569 152.555 -105.004 PRESSAVG: 1321000 27.4466 -22.7054 -6.0394 -22.7054 14.4979 -27.8871 -6.03934 -27.8872 27.6418 GPRESSAVG: 1321000 26.3473 -22.4271 -5.80779 -23.2207 15.5495 -29.3586 -5.09887 -25.9075 27.6957 TIMING: 1321000 CPU: 4175.05, 0.0031509/step Wall: 4175.05, 0.0031509/step, 3.22004 hours remaining, 234.734375 MB of memory in use. ENERGY: 1321000 3921.1760 20531.2147 14622.7706 247.1979 -203600.3421 2992.0651 0.0000 0.0000 52324.2350 -108961.6828 300.7081 -161285.9178 -108597.0728 300.5084 19.8264 46.4201 763570.8938 23.1954 23.1975 PRESSURE: 1321200 33.4252 -96.068 -259.724 -96.0682 144.17 167.091 -259.723 167.092 -319.623 GPRESSURE: 1321200 159.323 -109.546 -280.248 -32.8781 72.0648 203.922 -192.879 19.4891 -298.95 PRESSAVG: 1321200 8.62218 -5.60456 -5.35135 -5.6047 44.4042 27.0276 -5.3513 27.0276 12.5359 GPRESSAVG: 1321200 9.88877 -4.90255 -6.91199 -6.47014 43.4473 26.1029 -5.41873 27.3599 11.7966 TIMING: 1321200 CPU: 4175.68, 0.00315/step Wall: 4175.68, 0.00315/step, 3.21895 hours remaining, 234.746094 MB of memory in use. ENERGY: 1321200 3981.1045 20604.4479 14588.6654 245.5032 -203539.1677 2880.8580 0.0000 0.0000 52227.2822 -109011.3064 300.1509 -161238.5886 -108658.7432 299.4076 -47.3427 -22.5208 765550.1501 21.8541 21.7109 PRESSURE: 1321400 281.411 200.196 -169.539 200.197 -106.76 289.465 -169.539 289.464 353.818 GPRESSURE: 1321400 253.652 178.183 -122.386 55.9476 -23.8596 298.103 -150.504 175.261 380.239 PRESSAVG: 1321400 21.6135 5.30132 -21.8298 5.30139 -74.5413 37.5684 -21.8298 37.5684 -8.78682 GPRESSAVG: 1321400 20.9141 7.55313 -21.7198 5.8906 -73.4189 37.0285 -19.6192 35.8121 -8.67248 TIMING: 1321400 CPU: 4176.31, 0.00314425/step Wall: 4176.31, 0.00314425/step, 3.2129 hours remaining, 234.746094 MB of memory in use. ENERGY: 1321400 3970.2759 20593.3295 14595.1213 254.6473 -203781.1180 2984.7776 0.0000 0.0000 52398.8489 -108984.1174 301.1369 -161382.9663 -108607.0201 299.9984 176.1562 203.3435 763319.7458 -20.5715 -20.3924 PRESSURE: 1321600 -19.6748 147.251 -147.163 147.251 157.352 86.1692 -147.162 86.1708 -163.829 GPRESSURE: 1321600 -6.87064 -2.40487 -107.046 153.357 192.271 99.1189 -294.102 8.24846 -109.057 PRESSAVG: 1321600 -40.8439 1.02055 -18.15 1.02057 26.1354 46.6144 -18.15 46.6144 0.401451 GPRESSAVG: 1321600 -41.0392 -3.6839 -16.8105 1.98157 25.6476 47.6986 -22.1951 48.2012 0.941488 TIMING: 1321600 CPU: 4176.94, 0.00315575/step Wall: 4176.94, 0.00315574/step, 3.22447 hours remaining, 234.746094 MB of memory in use. ENERGY: 1321600 4047.0605 20727.8519 14622.0087 231.9432 -203800.9150 2993.2572 0.0000 0.0000 52103.8176 -109074.9759 299.4414 -161178.7935 -108715.9390 300.1803 -8.7175 25.4477 763098.1248 -4.7690 -4.8167 PRESSURE: 1321800 128.736 44.3557 -83.8108 44.3561 -33.9413 -82.5065 -83.8103 -82.5076 -39.993 GPRESSURE: 1321800 121.138 -76.9048 -97.9624 52.1064 31.2953 44.7724 -7.00956 -134.936 -27.1785 PRESSAVG: 1321800 7.25478 15.1781 -64.4843 15.1781 -15.1908 -11.4585 -64.4843 -11.4585 -12.6912 GPRESSAVG: 1321800 7.82357 17.6989 -65.1178 13.064 -15.9924 -11.8632 -63.455 -13.191 -12.5269 TIMING: 1321800 CPU: 4177.57, 0.00314594/step Wall: 4177.57, 0.00314594/step, 3.21427 hours remaining, 234.734375 MB of memory in use. ENERGY: 1321800 4095.1431 20620.8292 14532.0891 262.4441 -203884.5912 3205.2475 0.0000 0.0000 51970.5154 -109198.3228 298.6753 -161168.8382 -108842.1258 299.8371 18.2672 41.7516 763398.1742 -6.8757 -6.8986 PRESSURE: 1322000 69.667 115.774 132.124 115.774 -97.9919 -55.9605 132.125 -55.9597 -236.259 GPRESSURE: 1322000 83.2871 69.2767 60.7558 99.6643 43.5802 -29.7611 57.4652 1.40493 -322.884 PRESSAVG: 1322000 8.37958 -33.6769 -5.83072 -33.6769 44.9217 13.6636 -5.83073 13.6635 -23.1318 GPRESSAVG: 1322000 8.2494 -34.1689 -5.80316 -34.5272 45.6472 13.842 -6.07463 14.281 -23.9099 TIMING: 1322000 CPU: 4178.21, 0.00315921/step Wall: 4178.21, 0.0031592/step, 3.22765 hours remaining, 234.734375 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: 1322000 3930.6330 20610.0496 14491.6172 241.6808 -203466.3702 2935.6921 0.0000 0.0000 52041.8732 -109214.8243 299.0854 -161256.6975 -108845.6054 299.2450 -88.1947 -65.3390 763201.8946 10.0565 9.9956 PRESSURE: 1322200 -35.7681 -50.2854 148.858 -50.2858 254.457 -332.396 148.858 -332.397 -26.0375 GPRESSURE: 1322200 -15.962 -120.514 142.215 -57.1292 229.849 -264.639 12.1195 -313.764 86.2607 PRESSAVG: 1322200 15.0986 3.2845 -16.7731 3.28452 -8.94405 -7.5885 -16.7731 -7.58849 9.46456 GPRESSAVG: 1322200 14.3524 3.83451 -16.6613 5.38586 -8.77888 -7.41371 -17.3183 -5.35148 10.2966 TIMING: 1322200 CPU: 4178.83, 0.00314649/step Wall: 4178.83, 0.00314649/step, 3.21449 hours remaining, 234.734375 MB of memory in use. ENERGY: 1322200 4065.5690 20498.9274 14510.6273 245.3675 -203760.9161 3032.5952 0.0000 0.0000 52326.3696 -109081.4601 300.7204 -161407.8298 -108723.8517 300.0354 64.2172 100.0491 762089.4529 5.2064 5.2900 PRESSURE: 1322400 61.7466 163.065 -57.542 163.065 246.369 22.6787 -57.5429 22.6788 143.254 GPRESSURE: 1322400 200.682 56.86 -12.3702 203.553 225.087 -87.9384 -29.5371 124.441 105.26 PRESSAVG: 1322400 43.8452 -11.9382 -21.7046 -11.9382 -39.3259 -69.0639 -21.7046 -69.0639 -26.4148 GPRESSAVG: 1322400 43.6978 -12.6801 -22.5536 -13.0632 -39.2924 -69.9755 -20.5814 -71.7447 -26.8984 TIMING: 1322400 CPU: 4179.46, 0.00313731/step Wall: 4179.46, 0.00313731/step, 3.20494 hours remaining, 234.746094 MB of memory in use. ENERGY: 1322400 4018.5865 20620.7146 14519.0787 252.3032 -203603.4551 2845.7991 0.0000 0.0000 52234.7230 -109112.2501 300.1937 -161346.9731 -108745.1344 299.9784 150.4567 177.0097 762325.8883 -7.2985 -7.4976 PRESSURE: 1322600 196.886 94.3816 -148.591 94.3809 348.805 -307.591 -148.59 -307.591 70.5417 GPRESSURE: 1322600 230.765 53.9536 -124.564 129.123 396.667 -265.363 -88.4631 -141.7 75.217 PRESSAVG: 1322600 -22.9334 5.01732 33.9997 5.01734 -20.0169 -24.9235 33.9997 -24.9235 -12.5711 GPRESSAVG: 1322600 -23.1693 6.85744 34.4427 4.38623 -19.8631 -22.5299 35.3236 -24.1331 -12.6857 TIMING: 1322600 CPU: 4180.09, 0.00314814/step Wall: 4180.09, 0.00314814/step, 3.21583 hours remaining, 234.746094 MB of memory in use. ENERGY: 1322600 3951.9127 20564.7981 14549.1903 243.6849 -203573.9244 2910.6709 0.0000 0.0000 52165.0635 -109188.6040 299.7933 -161353.6675 -108825.1093 299.3949 205.4110 234.2161 762528.9437 -18.5071 -18.5727 PRESSURE: 1322800 -45.5685 -228.414 -25.4402 -228.414 72.2847 43.8209 -25.4397 43.8202 -86.4106 GPRESSURE: 1322800 -63.3331 -237.003 -88.5753 -216.692 75.9894 7.3015 -31.108 35.5076 -1.24248 PRESSAVG: 1322800 -11.7517 49.9994 -11.8192 49.9994 30.7954 14.3143 -11.8191 14.3143 1.97811 GPRESSAVG: 1322800 -10.5768 46.7782 -12.3313 50.1087 29.6791 13.1995 -12.6782 15.6562 1.47985 TIMING: 1322800 CPU: 4180.72, 0.00314104/step Wall: 4180.72, 0.00314104/step, 3.2084 hours remaining, 234.746094 MB of memory in use. ENERGY: 1322800 4016.7008 20600.7357 14531.3564 250.8105 -203086.5946 2519.3796 0.0000 0.0000 52122.5329 -109045.0787 299.5489 -161167.6116 -108687.9151 299.3551 -19.8982 3.8046 764174.4182 7.0073 6.8607 PRESSURE: 1323000 -112.159 -38.1445 -37.2695 -38.1446 -10.8416 -61.4751 -37.2699 -61.4762 -67.9271 GPRESSURE: 1323000 -85.4583 -107.675 50.0824 -199.547 -10.6646 -114.702 -92.5106 -46.402 -23.5583 PRESSAVG: 1323000 27.0696 -30.8028 -62.5243 -30.8028 3.02734 -8.95102 -62.5243 -8.95102 2.56931 GPRESSAVG: 1323000 26.4529 -29.3434 -61.879 -30.2587 3.60986 -8.20014 -62.9059 -11.3213 2.76665 TIMING: 1323000 CPU: 4181.35, 0.00313652/step Wall: 4181.35, 0.00313652/step, 3.20361 hours remaining, 234.746094 MB of memory in use. ENERGY: 1323000 4038.4150 20707.2112 14504.7248 257.5033 -203449.9579 2814.8574 0.0000 0.0000 52194.7173 -108932.5288 299.9638 -161127.2462 -108576.6997 299.8325 -63.6425 -39.8938 762763.2667 10.8888 10.9431 PRESSURE: 1323200 372.797 -15.4582 71.4989 -15.458 304.003 1.09925 71.4989 1.10073 388.204 GPRESSURE: 1323200 397.129 -69.1541 22.3764 -58.0982 359.686 72.7968 133.907 35.6943 385.039 PRESSAVG: 1323200 6.99043 12.1222 -38.1322 12.1222 -28.6372 6.68911 -38.1322 6.68911 10.7435 GPRESSAVG: 1323200 6.17444 10.6299 -38.118 12.6593 -28.827 5.09402 -37.8735 9.17991 11.7378 TIMING: 1323200 CPU: 4181.98, 0.00314432/step Wall: 4181.98, 0.00314432/step, 3.2114 hours remaining, 234.746094 MB of memory in use. ENERGY: 1323200 3992.5505 20593.8172 14520.4416 236.6349 -203515.7312 3067.0085 0.0000 0.0000 52139.1896 -108966.0888 299.6446 -161105.2784 -108603.7381 299.5536 355.0014 380.6179 761439.8721 -3.6344 -3.6383 PRESSURE: 1323400 0.645558 -253.396 182.108 -253.396 414.976 -5.50967 182.108 -5.50949 -96.6064 GPRESSURE: 1323400 -14.5354 -141.228 188.379 -142.484 504.154 6.99599 79.9754 -154.953 -92.7504 PRESSAVG: 1323400 91.338 -24.6293 23.0351 -24.6294 -58.5838 18.5109 23.0351 18.5109 -0.866492 GPRESSAVG: 1323400 92.2506 -22.3419 22.3572 -25.8867 -58.8284 18.035 22.2761 15.9437 -1.27855 TIMING: 1323400 CPU: 4182.6, 0.00314045/step Wall: 4182.6, 0.00314045/step, 3.20727 hours remaining, 234.746094 MB of memory in use. ENERGY: 1323400 3991.6907 20593.1359 14599.6916 261.3229 -203564.8535 2905.2577 0.0000 0.0000 52040.2109 -109173.5438 299.0758 -161213.7547 -108808.1401 300.0891 106.3385 132.2893 761638.5704 10.6292 10.7146 PRESSURE: 1323600 -743.933 199.018 188.493 199.019 -511.682 -102.832 188.493 -102.831 -223.028 GPRESSURE: 1323600 -662.833 120.284 92.3266 141.474 -436.561 -62.0347 129.785 -78.2184 -287.062 PRESSAVG: 1323600 5.47403 3.29119 10.5433 3.29114 17.953 5.2375 10.5433 5.23753 4.10822 GPRESSAVG: 1323600 5.61114 2.46424 10.3436 3.43026 17.8242 6.77518 11.5402 6.44867 4.26211 TIMING: 1323600 CPU: 4183.23, 0.00315166/step Wall: 4183.23, 0.00315166/step, 3.21854 hours remaining, 234.746094 MB of memory in use. ENERGY: 1323600 4100.4427 20728.8125 14555.0113 243.1436 -202579.8126 2274.9553 0.0000 0.0000 51878.9959 -108798.4513 298.1493 -160677.4472 -108445.8085 299.9520 -492.8811 -462.1516 764382.9048 9.1784 9.2325 PRESSURE: 1323800 -77.4268 -74.7022 -21.175 -74.7031 76.5086 40.6016 -21.1752 40.5997 165.978 GPRESSURE: 1323800 -171.378 -86.2863 -50.2853 -129.396 153.736 57.7429 49.9493 24.2745 277.684 PRESSAVG: 1323800 -11.2282 10.3678 -33.852 10.3679 17.0307 -18.4603 -33.852 -18.4602 -1.19475 GPRESSAVG: 1323800 -12.227 10.4015 -35.5795 11.0146 17.7642 -18.0946 -35.031 -19.1426 -0.457239 TIMING: 1323800 CPU: 4183.86, 0.00313728/step Wall: 4183.86, 0.00313728/step, 3.20369 hours remaining, 234.746094 MB of memory in use. ENERGY: 1323800 4012.7129 20615.1050 14571.8843 258.3335 -203175.8635 2779.4379 0.0000 0.0000 52067.1581 -108871.2318 299.2307 -160938.3899 -108512.0288 299.9478 55.0200 86.6806 763588.7220 1.5359 1.6933 PRESSURE: 1324000 150.254 -93.1724 270.665 -93.172 26.2513 87.4593 270.665 87.4593 130.747 GPRESSURE: 1324000 200.185 -46.239 263.768 -50.7167 -20.3496 192.352 326.157 81.0552 225.762 PRESSAVG: 1324000 2.36773 -1.46918 67.0535 -1.46911 -27.1752 9.42053 67.0535 9.42055 -4.28344 GPRESSAVG: 1324000 3.42856 -1.71717 69.2692 -1.28046 -26.4042 9.10823 67.3882 9.1741 -5.365 TIMING: 1324000 CPU: 4184.49, 0.00313261/step Wall: 4184.49, 0.00313261/step, 3.19874 hours remaining, 234.746094 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: 1324000 4030.3451 20619.2965 14532.5573 223.2652 -203378.2543 2990.2953 0.0000 0.0000 52103.4299 -108879.0649 299.4391 -160982.4948 -108523.8832 299.7491 102.4173 135.1992 763958.0964 -9.6970 -9.4469 PRESSURE: 1324200 -58.6394 -128.213 -31.5452 -128.213 0.152025 213.428 -31.5455 213.428 68.6619 GPRESSURE: 1324200 -47.8122 -191.174 15.9883 -40.9124 41.4084 258.347 -6.48544 153.203 100.105 PRESSAVG: 1324200 -46.7344 25.4579 2.25466 25.4579 61.9166 1.69948 2.25463 1.6995 7.96085 GPRESSAVG: 1324200 -47.0717 25.7878 2.04762 24.0629 62.3368 1.51087 2.29443 2.5973 7.80606 TIMING: 1324200 CPU: 4185.11, 0.00312416/step Wall: 4185.11, 0.00312416/step, 3.18994 hours remaining, 234.746094 MB of memory in use. ENERGY: 1324200 3952.1844 20559.8016 14485.8202 261.8138 -202938.4687 2689.5566 0.0000 0.0000 51988.9787 -109000.3134 298.7814 -160989.2921 -108634.5606 300.0604 3.3915 31.2337 763017.6110 7.7144 7.6904 LDB: ============= START OF LOAD BALANCING ============== 4197.64 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4197.64 LDB: =============== DONE WITH MIGRATION ================ 4197.65 LDB: ============= START OF LOAD BALANCING ============== 4197.96 LDB: Largest compute 7060 load 0.031621 is 16.2% of average load 0.195504 LDB: Average compute 0.004407 is 2.3% of average load 0.195504 LDB: TIME 4197.96 LOAD: AVG 0.195504 MAX 0.216677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.07 MB LDB: TIME 4197.96 LOAD: AVG 0.195504 MAX 0.216677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: TIME 4197.96 LOAD: AVG 0.195504 MAX 0.216677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.164 MB LDB: ============== END OF LOAD BALANCING =============== 4197.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4197.97 PRESSURE: 1324400 81.7958 62.6576 -37.3531 62.6572 194.74 -115.742 -37.3524 -115.742 -37.8999 GPRESSURE: 1324400 84.9239 37.4894 -105.661 -5.2975 254.86 -78.901 -6.45083 -139.901 -22.8026 PRESSAVG: 1324400 -12.5152 34.4235 -3.78043 34.4236 21.5317 -13.8205 -3.78039 -13.8205 -22.5455 GPRESSAVG: 1324400 -12.9543 34.4184 -3.97547 34.2788 22.1519 -14.0346 -2.42984 -14.7307 -22.6682 TIMING: 1324400 CPU: 4185.75, 0.00319972/step Wall: 4185.75, 0.00319972/step, 3.26691 hours remaining, 232.296875 MB of memory in use. ENERGY: 1324400 3947.8852 20591.7378 14603.0297 240.3916 -203667.5055 3082.9476 0.0000 0.0000 52148.9298 -109052.5839 299.7006 -161201.5136 -108690.3416 299.5196 79.5453 105.6603 762456.8121 -4.5097 -4.4902 PRESSURE: 1324600 256.199 -326.392 -227.354 -326.392 68.4598 -1.58937 -227.355 -1.58941 137.715 GPRESSURE: 1324600 247.437 -318.743 -290.347 -305.335 74.3731 -25.9534 -305.403 81.4991 242.145 PRESSAVG: 1324600 13.0525 12.9238 -13.3331 12.9238 -8.79026 9.22616 -13.3331 9.22613 1.44459 GPRESSAVG: 1324600 13.0146 12.887 -14.7379 14.7908 -9.60518 8.11845 -13.803 10.2576 2.00085 TIMING: 1324600 CPU: 4186.38, 0.00314215/step Wall: 4186.38, 0.00314215/step, 3.20796 hours remaining, 232.296875 MB of memory in use. ENERGY: 1324600 4020.7949 20424.3581 14539.6039 248.9080 -203413.4159 2955.8434 0.0000 0.0000 52281.6919 -108942.2157 300.4636 -161223.9076 -108573.9793 299.5151 154.1247 187.9851 762331.2623 1.9023 1.8034 PRESSURE: 1324800 -174.706 80.4709 14.8228 80.4709 54.9708 -13.8734 14.8238 -13.8726 333.299 GPRESSURE: 1324800 -36.5521 77.2155 7.75899 107.492 51.5197 -17.7046 58.7508 -20.9319 299.959 PRESSAVG: 1324800 33.1376 -26.2839 -96.1314 -26.2839 -39.9786 -13.479 -96.1315 -13.479 15.595 GPRESSAVG: 1324800 33.0091 -26.8738 -94.7598 -26.7647 -38.883 -11.4601 -94.8831 -14.891 14.78 TIMING: 1324800 CPU: 4187.01, 0.00315462/step Wall: 4187.01, 0.00315462/step, 3.22052 hours remaining, 232.296875 MB of memory in use. ENERGY: 1324800 4051.9468 20507.6819 14532.0609 266.2604 -203376.7536 2859.2575 0.0000 0.0000 52183.6919 -108975.8544 299.9004 -161159.5462 -108615.6164 299.8621 71.1878 104.9756 762115.5903 2.9180 2.9687 PRESSURE: 1325000 -82.1241 2.7093 -242.36 2.70847 -171.337 -89.8218 -242.36 -89.822 152.199 GPRESSURE: 1325000 -47.0781 48.8231 -247.583 71.9584 -92.0988 -116.373 -320.91 -135.67 114.764 PRESSAVG: 1325000 -16.2403 -35.8788 -48.4807 -35.8788 10.4126 -33.8235 -48.4808 -33.8235 -20.77 GPRESSAVG: 1325000 -15.8015 -35.0243 -49.1947 -35.8249 9.94594 -35.4679 -49.2408 -29.853 -20.2791 TIMING: 1325000 CPU: 4187.64, 0.00315128/step Wall: 4187.64, 0.00315128/step, 3.21693 hours remaining, 232.296875 MB of memory in use. ENERGY: 1325000 3974.2273 20643.4605 14602.3645 250.9801 -202821.7385 2474.5991 0.0000 0.0000 52078.2086 -108797.8984 299.2942 -160876.1071 -108440.7481 299.7774 -33.7543 -8.1375 762118.2415 -8.8659 -8.7116 PRESSURE: 1325200 -111.626 152.346 14.5231 152.345 101.847 8.5578 14.5234 8.55663 116.128 GPRESSURE: 1325200 -62.9925 98.4216 -23.3654 135.136 131.531 17.433 -161.067 -51.3235 135.002 PRESSAVG: 1325200 -46.0306 -29.9241 -25.7158 -29.9241 -0.686697 -13.2261 -25.7159 -13.226 10.6562 GPRESSAVG: 1325200 -46.5346 -29.9271 -25.1419 -30.0471 -1.40655 -11.6346 -26.5142 -17.6573 11.5928 TIMING: 1325200 CPU: 4188.27, 0.00315608/step Wall: 4188.27, 0.00315608/step, 3.22165 hours remaining, 232.296875 MB of memory in use. ENERGY: 1325200 3977.2436 20653.3600 14628.2649 247.1678 -203144.7266 2835.6389 0.0000 0.0000 51948.4328 -108854.6185 298.5484 -160803.0514 -108500.3544 300.4036 35.4496 67.8468 763633.9903 -12.0204 -12.1161 PRESSURE: 1325400 -301.738 7.85571 -96.2249 7.85486 -51.0693 -86.9103 -96.2259 -86.9109 -126.636 GPRESSURE: 1325400 -281.551 -79.5412 -55.8087 -42.5807 11.7445 -94.689 -59.9566 -41.1998 -125.992 PRESSAVG: 1325400 -20.8091 49.7885 -39.9433 49.7886 57.2394 -16.6844 -39.9434 -16.6844 7.64854 GPRESSAVG: 1325400 -21.6407 51.3273 -39.5809 49.5444 58.2423 -19.1965 -38.4206 -15.9857 7.06109 TIMING: 1325400 CPU: 4188.9, 0.00315119/step Wall: 4188.9, 0.00315119/step, 3.21649 hours remaining, 232.296875 MB of memory in use. ENERGY: 1325400 4026.9929 20540.1532 14617.5328 226.4507 -203046.5825 2533.7870 0.0000 0.0000 52278.6014 -108823.0645 300.4458 -161101.6658 -108446.8654 300.3806 -159.8146 -131.9330 761853.1764 14.6930 14.5542 PRESSURE: 1325600 -198.981 -136.119 -237.45 -136.118 -328.717 169.109 -237.452 169.109 -215.574 GPRESSURE: 1325600 -188.119 -118.738 -216.626 9.4423 -192.214 56.7711 -262.983 236.321 -244.877 PRESSAVG: 1325600 -45.7101 -8.66524 -61.4149 -8.66522 34.9514 -3.91777 -61.4149 -3.91771 -20.1558 GPRESSAVG: 1325600 -43.9482 -10.1349 -61.703 -7.71718 33.735 -1.39832 -62.5167 -1.70949 -20.5102 TIMING: 1325600 CPU: 4189.54, 0.00315357/step Wall: 4189.54, 0.00315357/step, 3.21874 hours remaining, 232.296875 MB of memory in use. ENERGY: 1325600 4003.4404 20575.3320 14573.0075 255.8631 -202922.9633 2561.1062 0.0000 0.0000 52145.2039 -108809.0101 299.6792 -160954.2140 -108452.3677 300.1147 -247.7572 -208.4031 764116.9649 -10.3048 -10.2411 PRESSURE: 1325800 209.409 139.861 -306.829 139.861 -127.937 -93.0069 -306.83 -93.0062 -166.224 GPRESSURE: 1325800 135.967 145.752 -299.12 96.6096 21.3246 -48.3657 -224.433 -166.11 -166.416 PRESSAVG: 1325800 34.6473 -79.671 -26.9447 -79.6709 -46.2138 3.9281 -26.9448 3.92806 -15.8245 GPRESSAVG: 1325800 34.5273 -77.1815 -25.9061 -81.9226 -46.1593 4.86123 -26.1935 0.628821 -15.9437 TIMING: 1325800 CPU: 4190.17, 0.00315805/step Wall: 4190.17, 0.00315805/step, 3.22314 hours remaining, 232.296875 MB of memory in use. ENERGY: 1325800 3934.7309 20532.0731 14579.4800 241.9110 -203237.7533 2520.8155 0.0000 0.0000 52233.8834 -109194.8595 300.1888 -161428.7428 -108823.1702 299.7033 -28.2510 -3.0415 762704.0433 -9.1303 -9.1919 PRESSURE: 1326000 -358.298 6.32355 -212.505 6.32341 239.273 -46.9596 -212.504 -46.9594 9.03345 GPRESSURE: 1326000 -207.322 -55.9593 -217.956 -19.1356 172.934 -96.6493 -218.353 -42.4564 4.33455 PRESSAVG: 1326000 -47.3284 -12.6459 3.89762 -12.6459 10.0064 -44.0598 3.89755 -44.0597 12.8836 GPRESSAVG: 1326000 -47.8623 -16.1912 2.88338 -11.1274 9.29094 -45.4517 5.07123 -42.8759 14.2052 TIMING: 1326000 CPU: 4190.8, 0.00316471/step Wall: 4190.8, 0.00316471/step, 3.22977 hours remaining, 232.296875 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: 1326000 3990.2281 20646.9133 14489.9434 231.7398 -203275.1541 2648.9818 0.0000 0.0000 52136.6933 -109130.6545 299.6303 -161267.3477 -108779.2862 299.7140 -36.6639 -10.0179 761932.0296 -8.1461 -8.1220 PRESSURE: 1326200 95.7859 -38.3411 247.995 -38.3413 -58.0769 -375.947 247.994 -375.948 -495.509 GPRESSURE: 1326200 131.734 -44.3498 240.115 6.01169 -8.60308 -366.793 180.552 -306.328 -509.447 PRESSAVG: 1326200 19.5469 10.3977 -13.6325 10.3978 36.7056 -24.2794 -13.6326 -24.2795 -2.11555 GPRESSAVG: 1326200 19.6035 12.046 -14.999 9.32838 36.3899 -24.0168 -14.4006 -22.4897 -1.98001 TIMING: 1326200 CPU: 4191.43, 0.00316634/step Wall: 4191.43, 0.00316634/step, 3.23125 hours remaining, 232.296875 MB of memory in use. ENERGY: 1326200 3971.3145 20487.5186 14514.6420 257.7759 -202974.9403 2494.3433 0.0000 0.0000 52065.3266 -109184.0194 299.2201 -161249.3460 -108809.9157 299.0412 -152.6001 -128.7721 762139.8758 18.0456 18.0045 PRESSURE: 1326400 -32.1193 -331.514 -2.46908 -331.515 -126.981 -226.838 -2.46897 -226.838 -229.085 GPRESSURE: 1326400 -7.44718 -201.125 -21.0395 -255.557 -103.874 -237.624 -96.7382 -169.89 -197.513 PRESSAVG: 1326400 1.93833 2.39162 11.2103 2.39161 7.91478 -0.749143 11.2104 -0.74917 -20.9143 GPRESSAVG: 1326400 0.24735 1.11987 11.6446 4.03053 9.89428 -1.31476 11.4496 -2.84854 -21.1215 TIMING: 1326400 CPU: 4192.07, 0.00317286/step Wall: 4192.07, 0.00317286/step, 3.23773 hours remaining, 232.296875 MB of memory in use. ENERGY: 1326400 3948.4373 20577.2381 14539.3540 260.9734 -203006.1850 2599.6533 0.0000 0.0000 52026.4855 -109054.0433 298.9969 -161080.5288 -108694.4487 299.5641 -129.3951 -102.9445 762619.2831 -3.6871 -3.6599 PRESSURE: 1326600 -255.442 -86.4398 66.6931 -86.4389 -259.869 -116.594 66.6934 -116.594 -13.3936 GPRESSURE: 1326600 -245.97 -132.698 47.1973 -155.712 -257.532 -134.605 19.2018 -138.997 72.0207 PRESSAVG: 1326600 -29.4972 34.4896 9.61015 34.4896 -1.12003 -38.5858 9.61012 -38.5857 9.8609 GPRESSAVG: 1326600 -28.8024 33.5276 9.85916 33.2305 -1.98456 -36.6344 8.88049 -35.8397 10.5546 TIMING: 1326600 CPU: 4192.7, 0.00314524/step Wall: 4192.7, 0.00314524/step, 3.20937 hours remaining, 232.296875 MB of memory in use. ENERGY: 1326600 4024.5382 20615.7349 14515.6546 238.4453 -203050.8180 2553.3969 0.0000 0.0000 51932.5463 -109170.5018 298.4571 -161103.0481 -108801.6494 299.3874 -176.2346 -143.8270 761559.2499 -6.9188 -6.7441 PRESSURE: 1326800 -159.54 117.68 174.354 117.68 198.121 67.6533 174.353 67.6544 353.382 GPRESSURE: 1326800 -43.5853 26.8719 104.52 88.4137 200.026 47.3701 150.463 59.9915 324.184 PRESSAVG: 1326800 14.0268 -28.8128 6.14743 -28.8128 -7.12152 14.074 6.14745 14.0739 -14.4699 GPRESSAVG: 1326800 16.9126 -27.2585 5.88178 -28.4532 -8.17606 13.0803 5.23354 12.4761 -16.4775 TIMING: 1326800 CPU: 4193.32, 0.0031401/step Wall: 4193.32, 0.0031401/step, 3.20395 hours remaining, 232.296875 MB of memory in use. ENERGY: 1326800 3945.5708 20641.0429 14582.8007 262.4007 -203520.5422 2957.3779 0.0000 0.0000 52118.1363 -109013.2129 299.5236 -161131.3492 -108654.3246 299.6591 130.6543 160.2082 760803.9935 -2.5215 -2.5803 PRESSURE: 1327000 63.5885 51.1587 177.406 51.159 322.024 128.915 177.406 128.914 -245.988 GPRESSURE: 1327000 139.249 13.3387 204.65 166.46 339.514 45.7288 230.89 232.336 -238.534 PRESSAVG: 1327000 -15.4609 -3.80955 36.5393 -3.80962 8.76515 2.5698 36.5393 2.56979 -9.67303 GPRESSAVG: 1327000 -17.1874 -4.37682 36.6748 -3.8784 8.84059 2.93062 37.6773 2.57421 -8.05737 TIMING: 1327000 CPU: 4193.95, 0.00314622/step Wall: 4193.95, 0.00314622/step, 3.21002 hours remaining, 232.296875 MB of memory in use. ENERGY: 1327000 3963.2497 20592.5749 14506.8332 259.7019 -202953.3204 2595.7254 0.0000 0.0000 51928.7063 -109106.5289 298.4350 -161035.2352 -108752.3303 299.3674 46.5416 80.0762 761114.2949 -5.4562 -5.4681 PRESSURE: 1327200 -525.97 -33.7118 -73.741 -33.7119 -120.115 130.68 -73.7418 130.679 139.665 GPRESSURE: 1327200 -542.51 47.1398 -65.8297 -46.4093 41.5176 139.399 -24.9506 77.3602 78.3887 PRESSAVG: 1327200 -76.1846 -40.6409 -39.8557 -40.6409 22.4087 -25.1162 -39.8557 -25.1163 -18.8714 GPRESSAVG: 1327200 -76.4392 -40.4437 -40.2531 -40.6147 23.6531 -26.2313 -38.5748 -25.5051 -20.0485 TIMING: 1327200 CPU: 4194.59, 0.0031712/step Wall: 4194.59, 0.0031712/step, 3.23532 hours remaining, 232.296875 MB of memory in use. ENERGY: 1327200 3998.5643 20584.7094 14461.9931 244.2521 -203500.8819 2638.3434 0.0000 0.0000 52299.2432 -109273.7763 300.5645 -161573.0195 -108901.6017 299.3627 -168.8066 -140.8680 762217.2895 -24.2158 -24.2782 PRESSURE: 1327400 -15.6687 17.2754 57.8432 17.2756 187.11 -24.9244 57.8436 -24.9255 165.764 GPRESSURE: 1327400 45.8724 10.3061 31.0673 -16.3567 209.582 70.2219 -160.07 -33.779 149.778 PRESSAVG: 1327400 -0.889689 -23.4075 33.2827 -23.4075 28.4643 -51.2278 33.2827 -51.2279 5.4457 GPRESSAVG: 1327400 -0.595339 -21.8716 33.7774 -24.8313 27.5733 -50.2127 30.3004 -50.7242 5.62788 TIMING: 1327400 CPU: 4195.22, 0.00315423/step Wall: 4195.22, 0.00315423/step, 3.21784 hours remaining, 232.296875 MB of memory in use. ENERGY: 1327400 3993.2890 20488.8545 14434.2861 256.4632 -203632.8357 2942.2299 0.0000 0.0000 52041.7499 -109475.9631 299.0847 -161517.7130 -109108.7914 299.3333 112.4017 135.0774 762423.9946 11.0068 10.8686 PRESSURE: 1327600 -214.177 47.2684 -30.0104 47.2683 -0.0151111 -94.8644 -30.0106 -94.8642 -36.9602 GPRESSURE: 1327600 -46.8374 -54.18 55.3585 22.2369 -55.0282 -95.3356 -52.6047 -48.0303 -40.9363 PRESSAVG: 1327600 -9.80054 -17.7668 31.8331 -17.7669 19.2472 8.32177 31.833 8.32176 -4.26194 GPRESSAVG: 1327600 -10.0595 -18.5566 33.1315 -18.1019 19.0591 6.31303 33.1583 9.93406 -3.9902 TIMING: 1327600 CPU: 4195.85, 0.00317249/step Wall: 4195.85, 0.00317249/step, 3.23629 hours remaining, 232.296875 MB of memory in use. ENERGY: 1327600 3872.6049 20476.5007 14511.4629 237.9180 -203464.9698 2712.5800 0.0000 0.0000 52172.9704 -109480.9330 299.8388 -161653.9034 -109116.8319 298.8385 -83.7173 -47.6006 762901.6164 1.7282 1.6698 PRESSURE: 1327800 227.058 -115.722 224.428 -115.722 211.891 182.409 224.429 182.408 -187.742 GPRESSURE: 1327800 263.611 54.2744 157.817 -80.8222 206.677 181.408 130.31 226.569 -149.597 PRESSAVG: 1327800 -23.5448 -55.4846 -15.8116 -55.4848 55.4093 -30.5869 -15.8116 -30.587 6.85022 GPRESSAVG: 1327800 -23.4484 -53.027 -18.7527 -54.6436 54.9797 -28.4249 -14.4174 -32.3383 6.95508 TIMING: 1327800 CPU: 4196.48, 0.00314932/step Wall: 4196.48, 0.00314932/step, 3.21248 hours remaining, 232.296875 MB of memory in use. ENERGY: 1327800 3878.5473 20358.3112 14467.7687 239.7306 -203746.8246 3103.4940 0.0000 0.0000 52220.0997 -109478.8732 300.1096 -161698.9729 -109110.5260 298.8501 83.7357 106.8970 763021.6245 12.9049 12.8288 PRESSURE: 1328000 91.5814 -8.04138 67.0939 -8.04086 12.5332 170.191 67.0932 170.19 178.641 GPRESSURE: 1328000 148.553 70.2148 16.1781 -215.927 -56.2407 155.669 -129.608 208.923 277.582 PRESSAVG: 1328000 5.90533 -14.9141 38.4407 -14.9142 -3.52956 12.6345 38.4407 12.6344 38.1246 GPRESSAVG: 1328000 5.50371 -18.0023 41.7673 -17.0441 -2.8535 11.1982 35.9042 11.3807 38.0815 TIMING: 1328000 CPU: 4197.12, 0.00315919/step Wall: 4197.12, 0.00315919/step, 3.22238 hours remaining, 232.296875 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: 1328000 3967.7527 20592.1736 14459.4309 252.9588 -203623.3845 2967.3212 0.0000 0.0000 52089.8644 -109293.8828 299.3612 -161383.7472 -108939.8522 299.2003 94.2520 123.2982 763096.1094 13.5001 13.5772 PRESSURE: 1328200 -382.268 46.7566 -63.7901 46.7564 -173.677 -251.535 -63.7896 -251.536 -120.283 GPRESSURE: 1328200 -367.142 -31.9439 -110.564 -130.736 -139.541 -227.692 -12.7679 -259.486 -87.8357 PRESSAVG: 1328200 -12.9472 -64.411 2.76963 -64.4111 -4.33956 -23.8677 2.7696 -23.8677 -2.90319 GPRESSAVG: 1328200 -13.3136 -64.7254 1.13659 -61.9819 -3.58186 -22.8499 3.91784 -23.6455 -3.27197 TIMING: 1328200 CPU: 4197.74, 0.00314732/step Wall: 4197.74, 0.00314732/step, 3.21009 hours remaining, 232.296875 MB of memory in use. ENERGY: 1328200 3979.8885 20602.8426 14505.8546 239.3946 -203254.7163 2743.6347 0.0000 0.0000 51745.1396 -109437.9617 297.3800 -161183.1013 -109083.3726 299.2715 -225.4093 -198.1729 764204.2786 -6.7300 -6.7225 LDB: ============= START OF LOAD BALANCING ============== 4210.28 LDB: ============== END OF LOAD BALANCING =============== 4210.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4210.28 LDB: ============= START OF LOAD BALANCING ============== 4210.6 LDB: Largest compute 7042 load 0.030710 is 15.7% of average load 0.195463 LDB: Average compute 0.004405 is 2.3% of average load 0.195463 LDB: TIME 4210.6 LOAD: AVG 0.195463 MAX 0.215205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.352 MB LDB: TIME 4210.6 LOAD: AVG 0.195463 MAX 0.215205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: TIME 4210.6 LOAD: AVG 0.195463 MAX 0.215205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.43 MB LDB: ============== END OF LOAD BALANCING =============== 4210.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4210.61 PRESSURE: 1328400 -126.697 132.298 101.794 132.298 -241.888 63.7448 101.795 63.7443 72.2032 GPRESSURE: 1328400 -53.0509 174.346 16.6174 123.565 -228.322 81.7029 4.39632 31.832 54.7975 PRESSAVG: 1328400 -20.4097 7.36662 32.3734 7.36663 41.055 -43.9069 32.3733 -43.9069 -21.981 GPRESSAVG: 1328400 -19.6539 6.89665 31.5436 8.01673 40.2705 -42.9633 33.3298 -42.5379 -22.2549 TIMING: 1328400 CPU: 4198.39, 0.0032319/step Wall: 4198.39, 0.0032319/step, 3.29618 hours remaining, 234.472656 MB of memory in use. ENERGY: 1328400 4040.5320 20609.3218 14539.8639 239.3593 -203516.0897 2717.5248 0.0000 0.0000 51706.3610 -109663.1269 297.1572 -161369.4879 -109308.3457 298.7709 -98.7942 -75.5251 762709.2702 -0.4453 -0.5461 PRESSURE: 1328600 67.3927 -81.6991 -41.2074 -81.6996 297.732 -260.5 -41.2081 -260.5 230.231 GPRESSURE: 1328600 130.587 24.4013 -62.6879 -41.8473 258.443 -309.367 0.368322 -330.888 294.327 PRESSAVG: 1328600 -37.9307 -8.67886 -0.894338 -8.67889 82.7847 7.39884 -0.89441 7.3989 22.8633 GPRESSAVG: 1328600 -38.7564 -7.65663 -0.361886 -8.32352 81.7008 5.25452 -1.43022 5.61555 24.2145 TIMING: 1328600 CPU: 4199.03, 0.00317401/step Wall: 4199.03, 0.00317401/step, 3.23696 hours remaining, 234.675781 MB of memory in use. ENERGY: 1328600 3986.1448 20571.6058 14515.7742 244.1291 -203880.9800 2911.3904 0.0000 0.0000 51860.2516 -109791.6840 298.0416 -161651.9357 -109440.9590 298.5477 198.4521 227.7860 761574.2335 22.5724 22.3863 PRESSURE: 1328800 -169.609 -16.3458 -107.07 -16.3455 -1.50167 -66.6675 -107.07 -66.668 -159.479 GPRESSURE: 1328800 -181.911 23.9793 -56.4799 -171.272 86.0938 -166.55 -170.094 -107.587 -136.304 PRESSAVG: 1328800 46.2301 -11.1513 23.297 -11.1513 -23.6633 -42.3458 23.2969 -42.3458 32.9911 GPRESSAVG: 1328800 46.3234 -10.3691 22.965 -12.6195 -21.7615 -41.8615 24.2963 -41.2913 31.3407 TIMING: 1328800 CPU: 4199.66, 0.00317557/step Wall: 4199.66, 0.00317557/step, 3.23838 hours remaining, 234.675781 MB of memory in use. ENERGY: 1328800 4018.5933 20432.9939 14592.4414 245.9516 -203183.3877 2551.8663 0.0000 0.0000 51986.0744 -109355.4667 298.7647 -161341.5411 -109004.6326 298.9040 -110.1966 -77.3737 761608.7694 18.5193 18.6342 PRESSURE: 1329000 -67.0616 -113.198 -109.152 -113.198 153.594 41.8768 -109.152 41.8749 125.482 GPRESSURE: 1329000 34.9501 -60.197 9.77821 -82.433 124.41 116.503 -258.985 -54.7023 131.518 PRESSAVG: 1329000 26.3781 4.74153 -41.581 4.74152 -50.8834 6.55504 -41.581 6.55508 -15.4294 GPRESSAVG: 1329000 26.6544 3.9519 -40.9516 3.57115 -51.9114 7.28515 -42.0459 7.5922 -14.7526 TIMING: 1329000 CPU: 4200.29, 0.00316703/step Wall: 4200.29, 0.00316703/step, 3.22949 hours remaining, 234.675781 MB of memory in use. ENERGY: 1329000 4051.5177 20546.0249 14480.4545 234.5642 -203371.4111 2857.6412 0.0000 0.0000 51892.9596 -109308.2491 298.2296 -161201.2087 -108957.9147 299.1319 70.6716 96.9595 764135.7657 -13.3115 -13.3365 PRESSURE: 1329200 516.431 44.738 173.511 44.7382 78.9937 -122.58 173.511 -122.581 303.535 GPRESSURE: 1329200 590.812 132.284 199.245 53.0252 208.269 -189.247 99.7734 -93.3286 196.457 PRESSAVG: 1329200 52.7204 5.89332 20.5356 5.89326 -45.6047 17.1028 20.5356 17.1029 18.7199 GPRESSAVG: 1329200 51.6777 7.00139 19.6251 7.07449 -43.4506 16.8846 20.6496 15.988 17.7272 TIMING: 1329200 CPU: 4200.93, 0.00316731/step Wall: 4200.93, 0.00316731/step, 3.2296 hours remaining, 234.675781 MB of memory in use. ENERGY: 1329200 3887.0901 20455.3156 14506.9106 253.0467 -203710.7765 2844.9526 0.0000 0.0000 52490.8726 -109272.5883 301.6658 -161763.4609 -108912.9580 299.3408 299.6532 331.8458 760721.4314 8.6119 8.6515 PRESSURE: 1329400 49.1395 46.4291 47.0918 46.4285 -178.445 -153.864 47.0922 -153.864 98.6041 GPRESSURE: 1329400 164.044 68.3603 55.7995 48.0007 -182.165 -175.618 -19.8024 -114.93 88.1919 PRESSAVG: 1329400 -19.3374 40.7166 -16.3698 40.7166 58.7148 -66.7506 -16.3698 -66.7506 -5.10886 GPRESSAVG: 1329400 -19.6996 40.2602 -16.5766 41.4947 57.1491 -66.0655 -14.4795 -66.6265 -3.40999 TIMING: 1329400 CPU: 4201.56, 0.00317929/step Wall: 4201.56, 0.00317929/step, 3.24164 hours remaining, 234.675781 MB of memory in use. ENERGY: 1329400 4028.7403 20717.8938 14538.0929 242.4978 -203294.2002 2581.5515 0.0000 0.0000 52019.8330 -109165.5908 298.9587 -161185.4238 -108805.4818 299.9277 -10.2339 23.3572 761926.2580 11.4229 11.3465 PRESSURE: 1329600 -159.746 67.6771 165.574 67.6758 -212.123 -296.64 165.574 -296.64 -39.6819 GPRESSURE: 1329600 -64.4382 128.187 210.82 -35.9726 -236.599 -302.397 263.95 -221.12 -16.6198 PRESSAVG: 1329600 31.305 -8.60239 -57.3753 -8.60245 -21.0879 -38.6288 -57.3752 -38.6289 1.90235 GPRESSAVG: 1329600 31.6428 -8.19057 -57.8898 -8.66339 -21.6881 -39.8915 -56.5101 -38.4759 2.22535 TIMING: 1329600 CPU: 4202.2, 0.00316741/step Wall: 4202.2, 0.00316741/step, 3.22935 hours remaining, 234.675781 MB of memory in use. ENERGY: 1329600 4081.6959 20521.8487 14612.3688 268.6742 -203290.2244 2583.4551 0.0000 0.0000 51910.4105 -109311.7711 298.3298 -161222.1817 -108934.4817 299.6532 -137.1837 -105.8855 761787.8663 4.0398 4.0600 PRESSURE: 1329800 -121.475 -360.776 90.2354 -360.776 -8.50907 -223.124 90.236 -223.125 -90.8529 GPRESSURE: 1329800 -98.088 -342.691 65.0751 -359.492 69.5733 -158.183 -4.48423 -130.253 -104.111 PRESSAVG: 1329800 28.198 -83.0765 -3.7443 -83.0765 28.1812 -6.32893 -3.74436 -6.32889 -8.82419 GPRESSAVG: 1329800 28.5446 -84.4707 -3.36605 -83.1112 28.0516 -4.22931 -6.76034 -6.33282 -9.43701 TIMING: 1329800 CPU: 4202.83, 0.00316507/step Wall: 4202.83, 0.00316507/step, 3.22678 hours remaining, 234.675781 MB of memory in use. ENERGY: 1329800 3956.6053 20569.5536 14598.7837 254.1407 -203590.4149 2599.3264 0.0000 0.0000 52317.8072 -109294.1982 300.6712 -161612.0053 -108932.7311 299.4652 -73.6124 -44.2086 761291.7521 15.8517 15.7197 PRESSURE: 1330000 -396.555 -23.4888 53.7915 -23.4894 -76.0869 32.1809 53.792 32.1804 -590.807 GPRESSURE: 1330000 -325.463 50.8889 69.2681 -62.1302 -54.5937 20.4603 91.9798 77.5171 -592.307 PRESSAVG: 1330000 -5.11371 10.971 38.1216 10.971 -31.1355 25.9657 38.1216 25.9657 -23.5523 GPRESSAVG: 1330000 -5.73129 13.4712 38.8203 8.25634 -31.3199 24.4032 39.4401 24.1559 -22.992 TIMING: 1330000 CPU: 4203.46, 0.00314898/step Wall: 4203.46, 0.00314898/step, 3.21021 hours remaining, 234.675781 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: 1330000 3935.5432 20625.8032 14510.0086 239.6842 -203269.9653 2550.4288 0.0000 0.0000 52093.6533 -109314.8440 299.3829 -161408.4973 -108948.5156 299.6360 -354.4827 -324.1213 764799.1676 -19.9338 -20.0144 PRESSURE: 1330200 -267.008 -73.0823 -219.486 -73.0822 5.99042 -22.4241 -219.486 -22.4227 -253.383 GPRESSURE: 1330200 -227.175 -42.4557 -190.672 -34.3586 38.935 -83.8274 -281.096 -8.5484 -233.852 PRESSAVG: 1330200 21.5068 27.051 -19.8945 27.0511 35.2018 -2.03476 -19.8945 -2.03466 -4.4912 GPRESSAVG: 1330200 21.4345 25.1801 -18.8873 29.0571 36.8452 -1.14556 -19.5321 -1.48508 -5.38106 TIMING: 1330200 CPU: 4204.09, 0.00315812/step Wall: 4204.09, 0.00315812/step, 3.21936 hours remaining, 234.675781 MB of memory in use. ENERGY: 1330200 4042.8000 20463.5024 14599.3481 256.2529 -203543.8186 2819.0729 0.0000 0.0000 51859.7678 -109503.0744 298.0388 -161362.8423 -109148.6363 298.7125 -171.4668 -140.6973 763238.6621 17.4058 17.6329 PRESSURE: 1330400 225.069 -120.308 -222.028 -120.308 -151.143 215.864 -222.028 215.863 -149.446 GPRESSURE: 1330400 345.025 -118.538 -290.368 49.2873 -209.299 242.698 -221.414 20.2353 -149.343 PRESSAVG: 1330400 -11.5629 -36.3234 -2.7584 -36.3234 29.7654 -17.6719 -2.75844 -17.6719 -6.90595 GPRESSAVG: 1330400 -10.9996 -34.9474 -3.39228 -35.8657 29.2386 -18.9997 -4.24923 -18.9752 -6.43384 TIMING: 1330400 CPU: 4204.72, 0.00315313/step Wall: 4204.72, 0.00315313/step, 3.21409 hours remaining, 234.675781 MB of memory in use. ENERGY: 1330400 3991.2429 20634.1578 14530.8766 231.1633 -203898.2640 3020.5778 0.0000 0.0000 51790.5452 -109699.7004 297.6410 -161490.2456 -109334.0754 298.4691 -25.1732 -4.5388 763941.4428 3.7655 3.9350 PRESSURE: 1330600 -3.05406 -65.3433 307.335 -65.3436 -55.8039 39.6133 307.336 39.6142 37.2786 GPRESSURE: 1330600 48.1566 -201.219 155.035 -74.7154 -17.8717 -50.0477 269.934 92.0664 11.5144 PRESSAVG: 1330600 82.2071 -22.3908 52.9482 -22.3908 -60.3415 25.7059 52.9482 25.7059 0.953465 GPRESSAVG: 1330600 83.2862 -25.1757 53.0326 -22.2295 -59.6208 25.5749 52.3077 29.3128 -0.00858858 TIMING: 1330600 CPU: 4205.35, 0.00315727/step Wall: 4205.35, 0.00315727/step, 3.21813 hours remaining, 234.675781 MB of memory in use. ENERGY: 1330600 3964.7192 20449.5071 14534.8317 239.2958 -203730.7358 2598.4893 0.0000 0.0000 52032.9091 -109910.9836 299.0338 -161943.8928 -109545.0926 298.6012 -7.1931 13.9331 761894.3460 7.6064 7.8856 PRESSURE: 1330800 44.6545 -39.5406 -150.016 -39.5407 -141.091 204.459 -150.017 204.459 -152.657 GPRESSURE: 1330800 12.5809 -46.4857 -117.063 30.6853 -18.5055 183.235 -63.978 226.241 -167.783 PRESSAVG: 1330800 30.7579 -23.0647 -2.77837 -23.0647 -31.3526 39.7827 -2.77835 39.7827 -31.0972 GPRESSAVG: 1330800 30.2108 -21.6035 -2.10523 -23.7429 -31.4688 38.8712 -0.240774 38.9922 -30.7197 TIMING: 1330800 CPU: 4205.99, 0.00316453/step Wall: 4205.99, 0.00316453/step, 3.22536 hours remaining, 234.675781 MB of memory in use. ENERGY: 1330800 3975.5664 20427.9749 14669.1769 245.2027 -203506.6765 2749.1625 0.0000 0.0000 51846.9228 -109592.6703 297.9650 -161439.5931 -109228.7974 297.9395 -83.0311 -57.9026 762657.7162 -10.5640 -10.6592 PRESSURE: 1331000 102.367 -5.19856 -72.2658 -5.19903 229.763 -316.074 -72.2657 -316.073 160.049 GPRESSURE: 1331000 157.254 -78.0467 2.24944 25.1218 317.801 -236.901 -100.284 -311.148 109.062 PRESSAVG: 1331000 34.2847 -52.427 19.9498 -52.4269 -53.0457 0.559462 19.9498 0.559492 23.7312 GPRESSAVG: 1331000 34.322 -53.3491 20.296 -52.2782 -53.4268 2.22934 17.7157 -0.0900576 23.9364 TIMING: 1331000 CPU: 4206.62, 0.00316497/step Wall: 4206.62, 0.00316497/step, 3.22563 hours remaining, 234.675781 MB of memory in use. ENERGY: 1331000 4002.3554 20569.8476 14504.6321 252.8569 -203479.7577 2814.3811 0.0000 0.0000 51841.4394 -109494.2451 297.9335 -161335.6845 -109128.0062 298.4555 164.0596 194.7055 763986.8171 1.6567 1.6105 PRESSURE: 1331200 -108.752 140.628 26.4837 140.627 -167.59 -57.8145 26.4842 -57.8143 -49.6913 GPRESSURE: 1331200 -3.23127 122.409 52.8306 3.43536 -150.026 52.4308 37.79 -113.405 -71.3876 PRESSAVG: 1331200 31.8151 28.9798 -39.5907 28.9798 -3.67511 -6.44688 -39.5907 -6.44688 8.91099 GPRESSAVG: 1331200 31.1231 27.5937 -39.2801 28.8952 -3.03304 -5.24301 -37.384 -8.48446 9.19178 TIMING: 1331200 CPU: 4207.25, 0.00316307/step Wall: 4207.25, 0.00316307/step, 3.22352 hours remaining, 234.675781 MB of memory in use. ENERGY: 1331200 4046.5712 20505.0613 14432.4343 256.4788 -203873.6345 2849.1646 0.0000 0.0000 52197.6095 -109586.3149 299.9804 -161783.9245 -109234.1999 298.5296 -108.6780 -74.8816 762282.1061 12.3503 12.4273 PRESSURE: 1331400 -196.676 82.0631 -335.363 82.0623 -146.442 50.8411 -335.362 50.8396 -381.038 GPRESSURE: 1331400 -236.22 91.6911 -154.565 166.421 37.7295 79.4909 -420.984 72.5751 -440.654 PRESSAVG: 1331400 8.58836 20.3171 -15.5758 20.3172 -15.9438 4.70648 -15.5758 4.70636 1.11274 GPRESSAVG: 1331400 8.66135 21.8406 -16.8722 20.2747 -15.5076 2.47469 -18.0587 5.12901 0.961868 TIMING: 1331400 CPU: 4207.88, 0.0031525/step Wall: 4207.88, 0.0031525/step, 3.21258 hours remaining, 234.675781 MB of memory in use. ENERGY: 1331400 4077.3859 20564.9703 14580.6387 249.1758 -203569.2204 2614.0242 0.0000 0.0000 51988.5720 -109494.4536 298.7790 -161483.0256 -109128.6093 298.8515 -241.3852 -213.0480 763723.2301 -2.0809 -1.9615 PRESSURE: 1331600 158.471 -167.133 -13.9298 -167.132 135.175 -44.5283 -13.9289 -44.5277 -143.948 GPRESSURE: 1331600 178.091 -156.436 -34.5925 -54.9775 174.729 -88.8353 105.195 30.4704 -138.416 PRESSAVG: 1331600 -7.59388 3.05063 -17.4853 3.05062 37.0147 -11.4919 -17.4853 -11.4919 0.0114857 GPRESSAVG: 1331600 -6.63659 3.34333 -17.4453 3.05468 36.721 -9.6693 -16.4584 -11.4851 -0.827834 TIMING: 1331600 CPU: 4208.51, 0.00315303/step Wall: 4208.51, 0.00315303/step, 3.21294 hours remaining, 234.675781 MB of memory in use. ENERGY: 1331600 4059.1579 20675.8547 14480.8187 237.9774 -203629.3551 2757.9136 0.0000 0.0000 52181.2378 -109236.3950 299.8863 -161417.6328 -108885.9681 299.3631 49.8993 71.4680 761441.4406 9.8108 9.7522 PRESSURE: 1331800 159.177 -169.085 102.113 -169.085 -603.273 -243.678 102.113 -243.679 172.053 GPRESSURE: 1331800 120.93 -201.355 97.7889 -203.113 -492.489 -201.343 24.2675 -220.925 188.849 PRESSAVG: 1331800 -8.78443 -27.3504 59.2515 -27.3505 16.0879 0.940321 59.2514 0.940415 -2.26903 GPRESSAVG: 1331800 -8.79404 -27.4806 60.1133 -27.5853 14.6485 -0.449658 60.1392 1.31542 -0.21007 TIMING: 1331800 CPU: 4209.14, 0.00315793/step Wall: 4209.14, 0.00315793/step, 3.21775 hours remaining, 234.675781 MB of memory in use. ENERGY: 1331800 4042.2357 20610.1402 14491.0683 252.2568 -203327.5779 2508.8590 0.0000 0.0000 52252.4554 -109170.5625 300.2956 -161423.0179 -108813.5853 300.2872 -90.6813 -60.9033 761338.8243 1.6782 1.8815 PRESSURE: 1332000 -280.116 -60.1777 26.8774 -60.1775 40.3865 -40.7403 26.878 -40.7415 145.657 GPRESSURE: 1332000 -129.012 -48.785 -64.9505 -60.5971 29.5558 22.8228 57.5619 -92.9537 79.2699 PRESSAVG: 1332000 -26.3204 -37.3043 -27.4922 -37.3043 24.0128 20.1677 -27.4922 20.1677 19.5275 GPRESSAVG: 1332000 -26.5139 -38.7555 -28.5858 -36.8673 26.0797 18.7943 -29.0325 21.5882 18.3089 TIMING: 1332000 CPU: 4209.78, 0.00315682/step Wall: 4209.78, 0.00315682/step, 3.21645 hours remaining, 234.675781 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: 1332000 4112.8937 20496.8585 14619.3586 232.9816 -204065.9857 3068.9274 0.0000 0.0000 52040.6215 -109494.3443 299.0782 -161534.9658 -109123.9466 299.6688 -31.3575 -6.7286 762084.3720 5.7400 5.9582 PRESSURE: 1332200 230.24 -87.6966 -140.141 -87.6961 162.897 -175.799 -140.142 -175.798 213.19 GPRESSURE: 1332200 173.848 -78.547 -165.004 -55.2229 284.844 -111.046 -75.4657 -234.257 252.775 PRESSAVG: 1332200 35.6248 -26.9223 -34.5868 -26.9224 4.87621 23.4176 -34.5868 23.4176 -8.92583 GPRESSAVG: 1332200 35.2163 -26.2042 -33.8962 -25.8842 4.44378 24.7271 -32.8648 21.6507 -8.10376 TIMING: 1332200 CPU: 4210.41, 0.00314542/step Wall: 4210.41, 0.00314542/step, 3.20466 hours remaining, 234.675781 MB of memory in use. ENERGY: 1332200 3979.2843 20369.6298 14541.7245 245.9757 -203636.0396 2748.9880 0.0000 0.0000 52322.0428 -109428.3945 300.6955 -161750.4373 -109069.3780 299.6930 202.1089 237.1559 760327.4500 10.5251 10.5188 LDB: ============= START OF LOAD BALANCING ============== 4222.94 LDB: ============== END OF LOAD BALANCING =============== 4222.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4222.94 LDB: ============= START OF LOAD BALANCING ============== 4223.25 LDB: Largest compute 7050 load 0.029355 is 15.0% of average load 0.195504 LDB: Average compute 0.004403 is 2.3% of average load 0.195504 LDB: TIME 4223.26 LOAD: AVG 0.195504 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.477 MB LDB: TIME 4223.26 LOAD: AVG 0.195504 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: TIME 4223.26 LOAD: AVG 0.195504 MAX 0.21634 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: ============== END OF LOAD BALANCING =============== 4223.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4223.26 PRESSURE: 1332400 -169.93 6.98767 -24.1786 6.9884 -144.111 191.156 -24.1789 191.157 -78.5393 GPRESSURE: 1332400 -198.268 53.747 -93.1142 -1.70548 -38.8224 183.373 -65.6499 136.085 -50.5578 PRESSAVG: 1332400 4.57423 -3.90291 25.8313 -3.90289 4.55575 2.12961 25.8312 2.12959 10.2562 GPRESSAVG: 1332400 4.852 -1.82087 24.2537 -6.61096 4.87899 2.32026 24.8871 2.13433 9.77808 TIMING: 1332400 CPU: 4211.05, 0.00320404/step Wall: 4211.05, 0.00320404/step, 3.2642 hours remaining, 233.449219 MB of memory in use. ENERGY: 1332400 4024.1521 20606.7575 14555.9273 245.2429 -203328.2563 2439.8158 0.0000 0.0000 52302.4170 -109153.9437 300.5827 -161456.3607 -108790.3798 299.3820 -130.8602 -95.8827 760844.5611 6.4621 6.5030 PRESSURE: 1332600 -95.042 127.863 -184.61 127.864 -399.637 16.364 -184.61 16.3646 -117.691 GPRESSURE: 1332600 -3.07331 -109.415 -243.048 129.875 -359.462 -19.8637 -190.523 -15.1322 -166.531 PRESSAVG: 1332600 51.4561 -7.33524 -8.13662 -7.33515 -27.6745 -41.6405 -8.1366 -41.6406 -21.1887 GPRESSAVG: 1332600 51.5308 -10.066 -6.96497 -5.11219 -27.8543 -40.3202 -7.63311 -41.1948 -20.7354 TIMING: 1332600 CPU: 4211.68, 0.00317071/step Wall: 4211.68, 0.00317072/step, 3.23008 hours remaining, 233.449219 MB of memory in use. ENERGY: 1332600 3978.0820 20575.4341 14492.3201 254.1551 -203184.7987 2429.3376 0.0000 0.0000 52171.3908 -109284.0790 299.8297 -161455.4699 -108917.8231 299.7599 -204.1232 -176.3553 761621.7462 0.8643 0.9804 PRESSURE: 1332800 -186.761 -25.2462 196.455 -25.2457 -133.451 -162.103 196.456 -162.102 202.3 GPRESSURE: 1332800 -137.618 -63.2699 344.163 -98.5763 -26.6124 -215.718 293.329 -64.2687 128.466 PRESSAVG: 1332800 71.3908 -11.1359 -29.7083 -11.1359 -38.4454 -33.4886 -29.7082 -33.4886 10.9416 GPRESSAVG: 1332800 72.0618 -10.1178 -29.375 -12.3206 -38.9312 -33.6014 -28.7272 -34.2568 11.4547 TIMING: 1332800 CPU: 4212.31, 0.00315368/step Wall: 4212.31, 0.00315368/step, 3.21255 hours remaining, 233.652344 MB of memory in use. ENERGY: 1332800 4016.3109 20695.4446 14403.2449 270.9969 -202973.2550 2381.0001 0.0000 0.0000 52356.3101 -108849.9475 300.8924 -161206.2576 -108480.3993 300.1668 -39.3039 -11.9214 762001.7558 14.6290 14.8618 PRESSURE: 1333000 -33.4598 14.1974 -127.42 14.1973 327.933 451.054 -127.42 451.053 79.2245 GPRESSURE: 1333000 -3.6665 -77.8843 -155.862 88.1421 330.826 380.332 -95.4484 398.542 127.179 PRESSAVG: 1333000 19.1865 -20.2969 20.7265 -20.2969 3.06954 29.5917 20.7265 29.5916 9.86736 GPRESSAVG: 1333000 17.2385 -20.7963 20.3507 -19.0048 4.34404 26.6883 20.8925 31.7525 10.162 TIMING: 1333000 CPU: 4212.94, 0.00316968/step Wall: 4212.94, 0.00316968/step, 3.22867 hours remaining, 233.652344 MB of memory in use. ENERGY: 1333000 3972.3636 20670.4462 14526.3424 243.9158 -203521.6768 2854.3143 0.0000 0.0000 52348.0276 -108906.2668 300.8448 -161254.2944 -108550.0016 300.3289 124.5659 151.4464 761124.7739 10.7078 10.5815 PRESSURE: 1333200 -86.7197 -83.9744 109.692 -83.9745 -76.0711 71.5698 109.691 71.5709 -350.367 GPRESSURE: 1333200 -39.7103 63.5609 138.765 -121.418 5.74068 73.0799 106.503 -57.2153 -382.057 PRESSAVG: 1333200 50.7477 -12.6683 -23.8035 -12.6684 -32.0989 7.516 -23.8035 7.51599 -17.6611 GPRESSAVG: 1333200 52.4924 -10.4971 -21.8631 -12.7904 -33.1811 8.55708 -24.9848 6.77768 -18.721 TIMING: 1333200 CPU: 4213.58, 0.0031882/step Wall: 4213.58, 0.0031882/step, 3.24736 hours remaining, 233.652344 MB of memory in use. ENERGY: 1333200 3972.3369 20626.5360 14598.0591 241.7167 -203330.2606 2472.4413 0.0000 0.0000 52295.6800 -109123.4906 300.5440 -161419.1706 -108741.8553 300.0354 -171.0527 -138.6755 763522.1489 0.3293 0.1968 PRESSURE: 1333400 163.398 -170.527 -97.0237 -170.528 48.6737 -59.7995 -97.0234 -59.8005 82.8573 GPRESSURE: 1333400 179.968 -117.214 -82.4296 -169.028 131.042 -66.109 -106.14 210.283 86.2563 PRESSAVG: 1333400 24.8333 28.0515 -7.39125 28.0516 -55.537 19.9768 -7.39121 19.9769 -17.1168 GPRESSAVG: 1333400 24.6776 25.1765 -6.58863 29.5823 -54.1775 20.8824 -7.68801 18.3586 -17.552 TIMING: 1333400 CPU: 4214.22, 0.00316612/step Wall: 4214.22, 0.00316612/step, 3.22469 hours remaining, 233.652344 MB of memory in use. ENERGY: 1333400 4011.4284 20516.5388 14515.1120 232.1444 -203343.8527 2882.1358 0.0000 0.0000 52108.4392 -109078.0540 299.4679 -161186.4933 -108720.1037 299.6162 98.3098 132.4219 762556.9866 -15.9402 -15.6840 PRESSURE: 1333600 -215.763 46.1121 -99.1371 46.1118 -131.507 -370.444 -99.1372 -370.444 104.926 GPRESSURE: 1333600 -242.554 -39.1174 -88.8717 -42.5953 -2.99783 -357.441 -176.223 -162.355 62.7379 PRESSAVG: 1333600 -52.4841 36.4995 14.5902 36.4995 51.9577 16.4903 14.5902 16.4903 8.70523 GPRESSAVG: 1333600 -52.8217 37.1101 13.1121 33.5608 51.5237 17.0627 13.4904 18.4004 9.54945 TIMING: 1333600 CPU: 4214.85, 0.0031589/step Wall: 4214.85, 0.0031589/step, 3.21717 hours remaining, 233.652344 MB of memory in use. ENERGY: 1333600 3918.0756 20480.7354 14547.8464 242.8850 -203082.0694 2555.7119 0.0000 0.0000 52137.5302 -109199.2850 299.6351 -161336.8151 -108827.5052 299.7691 -80.7811 -60.9381 761581.1826 2.7263 2.7505 PRESSURE: 1333800 -107.749 -222.677 70.5286 -222.677 123.134 274.766 70.5284 274.767 -267.397 GPRESSURE: 1333800 -9.45948 -156.472 52.866 -130.413 146.645 240.236 72.9291 104.44 -289.76 PRESSAVG: 1333800 11.8626 -0.12671 -66.5504 -0.126708 34.784 14.7804 -66.5504 14.7803 -18.3232 GPRESSAVG: 1333800 12.0738 1.01359 -66.5589 1.06934 35.2847 13.9221 -65.6451 16.1417 -18.9018 TIMING: 1333800 CPU: 4215.48, 0.00315512/step Wall: 4215.48, 0.00315512/step, 3.21313 hours remaining, 233.855469 MB of memory in use. ENERGY: 1333800 3910.9157 20480.6642 14554.5919 245.5877 -203363.2017 2702.4276 0.0000 0.0000 52233.0555 -109235.9591 300.1841 -161469.0145 -108874.7176 299.3630 -84.0037 -50.8581 762792.0048 9.4411 9.4856 PRESSURE: 1334000 -189.35 -256.864 52.2131 -256.864 -432.652 -198.828 52.2129 -198.828 -358.62 GPRESSURE: 1334000 -184.099 -173.308 75.6214 -191.965 -306.746 -152.584 93.3594 -190.475 -372.51 PRESSAVG: 1334000 38.7927 -4.09186 -18.4017 -4.09187 17.4253 1.64575 -18.4017 1.64567 -27.2197 GPRESSAVG: 1334000 39.6762 -5.74166 -17.6999 -4.23969 16.8001 0.834944 -17.0562 0.670656 -26.8222 TIMING: 1334000 CPU: 4216.11, 0.00315228/step Wall: 4216.11, 0.00315228/step, 3.21007 hours remaining, 233.855469 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: 1334000 3968.6310 20480.3138 14448.2785 236.3293 -203079.3816 2325.2489 0.0000 0.0000 52277.7549 -109342.8252 300.4410 -161620.5801 -108975.0704 299.5265 -326.8737 -287.7848 763187.6647 9.6661 9.8847 PRESSURE: 1334200 207.663 -114.631 34.4403 -114.632 115.964 4.06892 34.44 4.06939 24.6814 GPRESSURE: 1334200 164.403 -116.04 24.6169 -129.595 180.517 -132.115 7.29719 108.955 78.9892 PRESSAVG: 1334200 -14.4194 0.752692 10.5247 0.752783 4.19993 32.317 10.5248 32.317 6.34598 GPRESSAVG: 1334200 -14.9345 1.69935 9.07115 0.848658 4.62173 32.9097 9.52094 31.0908 6.81934 TIMING: 1334200 CPU: 4216.74, 0.00315887/step Wall: 4216.74, 0.00315887/step, 3.2166 hours remaining, 233.855469 MB of memory in use. ENERGY: 1334200 3901.2588 20298.4804 14579.5970 234.4537 -203398.7671 2800.4147 0.0000 0.0000 52316.8740 -109267.6885 300.6658 -161584.5625 -108899.6388 299.5888 116.1027 141.3033 760201.0742 -1.2912 -1.1645 PRESSURE: 1334400 -189.447 -38.6845 -24.6157 -38.6849 -226.215 -190.096 -24.6158 -190.096 202.82 GPRESSURE: 1334400 -105.552 -20.5426 2.61407 6.07671 -231.784 -202.023 72.8469 -30.9579 196.637 PRESSAVG: 1334400 -48.7246 -3.23832 0.947767 -3.23824 21.6492 -2.17714 0.94779 -2.17718 -14.7949 GPRESSAVG: 1334400 -49.4568 -2.44864 1.88343 -3.14341 22.1095 -1.33924 0.349939 -0.350465 -14.752 TIMING: 1334400 CPU: 4217.37, 0.00315615/step Wall: 4217.37, 0.00315615/step, 3.21367 hours remaining, 233.843750 MB of memory in use. ENERGY: 1334400 3970.2370 20509.3733 14484.7039 236.1317 -203404.1793 2865.8354 0.0000 0.0000 52146.9560 -109190.9419 299.6893 -161337.8979 -108835.1733 299.3811 -70.9471 -46.8998 762518.0185 -13.9568 -14.0331 PRESSURE: 1334600 250.723 -137.173 -68.6018 -137.175 162.25 -86.5877 -68.6012 -86.5886 38.7616 GPRESSURE: 1334600 282.519 -205.002 -89.4034 -172.712 203.948 -137.635 -125.024 -46.1318 34.6819 PRESSAVG: 1334600 21.1962 -4.43597 9.05341 -4.43596 4.89494 3.22353 9.05349 3.2235 7.96848 GPRESSAVG: 1334600 21.7874 -6.43598 7.74847 -3.18268 3.40737 2.83507 9.3134 2.18124 9.03433 TIMING: 1334600 CPU: 4218, 0.00315549/step Wall: 4218, 0.00315549/step, 3.21281 hours remaining, 233.843750 MB of memory in use. ENERGY: 1334600 3961.0933 20605.4304 14465.8430 246.0647 -203331.6226 2791.0819 0.0000 0.0000 52065.5666 -109196.5428 299.2215 -161262.1093 -108841.4911 299.6976 150.5781 173.7163 760834.3155 11.3532 11.4097 PRESSURE: 1334800 251.146 -161.862 138.698 -161.862 501.13 -57.9589 138.698 -57.9598 -61.0407 GPRESSURE: 1334800 315.526 -87.5396 151.681 -186.987 492.936 -100.89 79.4193 1.29144 -20.1958 PRESSAVG: 1334800 60.3684 -17.6709 79.6002 -17.6709 -62.5799 4.50023 79.6002 4.50023 -6.09792 GPRESSAVG: 1334800 60.3653 -16.9325 80.6847 -17.3122 -62.5111 5.18403 79.426 5.13205 -6.58895 TIMING: 1334800 CPU: 4218.63, 0.00314143/step Wall: 4218.63, 0.00314143/step, 3.19832 hours remaining, 233.843750 MB of memory in use. ENERGY: 1334800 3991.0015 20450.2036 14551.6269 254.0372 -203104.8836 2613.8530 0.0000 0.0000 52076.1186 -109168.0427 299.2822 -161244.1613 -108799.5679 299.6414 230.4117 262.7553 760490.6949 -2.7698 -2.9116 PRESSURE: 1335000 -91.0897 252.809 -74.8536 252.807 -225.217 48.3103 -74.8547 48.3113 234.288 GPRESSURE: 1335000 -110.929 151.062 -51.6739 252.573 -111.256 117.857 15.8935 -129.188 210.57 PRESSAVG: 1335000 64.8876 0.516198 14.0368 0.516135 -49.5505 -14.524 14.0368 -14.5241 -12.8347 GPRESSAVG: 1335000 63.9221 -0.539521 14.5153 0.666041 -49.2844 -15.1531 13.2061 -15.863 -12.6987 TIMING: 1335000 CPU: 4219.26, 0.00315196/step Wall: 4219.26, 0.00315196/step, 3.20887 hours remaining, 233.843750 MB of memory in use. ENERGY: 1335000 4024.3328 20615.8973 14467.2145 250.0212 -203062.6212 2411.7388 0.0000 0.0000 52079.8184 -109213.5982 299.3034 -161293.4166 -108859.3843 299.9046 -27.3394 -3.8717 762053.7905 0.8342 0.6463 PRESSURE: 1335200 -346.234 29.0235 153.595 29.0237 -199.761 241.796 153.596 241.796 131.563 GPRESSURE: 1335200 -212.974 -57.9401 192.432 69.8724 -285.615 241.885 257.567 242.444 172.549 PRESSAVG: 1335200 38.9318 45.5031 -10.8981 45.5031 -38.6156 11.8248 -10.898 11.8248 -6.73957 GPRESSAVG: 1335200 38.386 47.3535 -11.0818 44.5211 -39.5158 10.1355 -10.1955 13.0522 -5.872 TIMING: 1335200 CPU: 4219.89, 0.00315346/step Wall: 4219.89, 0.00315346/step, 3.21022 hours remaining, 233.855469 MB of memory in use. ENERGY: 1335200 4040.2010 20542.3804 14552.6611 242.0611 -203144.7981 2332.4788 0.0000 0.0000 52150.9790 -109284.0366 299.7124 -161435.0156 -108919.4491 299.3788 -138.1440 -108.6797 763091.5490 -2.1411 -2.3339 PRESSURE: 1335400 32.8557 -160.245 148.225 -160.246 151.204 117.369 148.225 117.369 -116.01 GPRESSURE: 1335400 81.5419 13.9167 73.2116 -111.207 163.974 151.524 -10.3565 116.834 -88.6105 PRESSAVG: 1335400 30.4718 -15.7033 41.9399 -15.7033 -70.2353 1.34883 41.9399 1.34881 13.8782 GPRESSAVG: 1335400 30.8987 -16.3123 42.4372 -16.9337 -69.7975 1.41636 41.0935 0.992411 13.1797 TIMING: 1335400 CPU: 4220.52, 0.00316215/step Wall: 4220.52, 0.00316215/step, 3.21889 hours remaining, 233.855469 MB of memory in use. ENERGY: 1335400 3959.1194 20689.7916 14560.6990 229.6547 -203371.4649 2777.6572 0.0000 0.0000 51945.3471 -109209.1959 298.5306 -161154.5429 -108852.0046 299.2723 22.6833 52.3020 762553.4925 -8.6284 -8.5731 PRESSURE: 1335600 148.664 -76.9164 -145.031 -76.9155 -192.687 22.5395 -145.03 22.5395 43.2639 GPRESSURE: 1335600 153.504 59.4133 -96.2632 -134.88 -73.6283 71.7808 -23.3461 126.093 19.9047 PRESSAVG: 1335600 20.0594 -33.3374 5.53404 -33.3374 -4.95259 3.82365 5.534 3.82363 11.8595 GPRESSAVG: 1335600 20.1943 -32.6016 5.90728 -33.2542 -4.03847 6.05181 5.80369 5.05466 11.2473 TIMING: 1335600 CPU: 4221.16, 0.00317173/step Wall: 4221.16, 0.00317173/step, 3.22847 hours remaining, 233.855469 MB of memory in use. ENERGY: 1335600 4023.7213 20632.9946 14553.2205 248.5300 -203145.8581 2673.8338 0.0000 0.0000 51794.7749 -109218.7829 297.6653 -161013.5578 -108853.9398 299.0878 -0.2529 33.2600 762699.8021 8.9888 9.1344 PRESSURE: 1335800 -78.5494 -45.9935 -55.1221 -45.9934 -5.603 -42.5547 -55.1208 -42.5558 81.8738 GPRESSURE: 1335800 -74.2999 -184.053 -56.201 -202.874 18.8286 -117.89 46.8752 123.768 120.352 PRESSAVG: 1335800 18.82 -24.6355 46.4801 -24.6354 -11.876 43.7496 46.4801 43.7496 -13.2723 GPRESSAVG: 1335800 19.0892 -26.2499 46.751 -25.4955 -13.1524 43.3392 44.4682 43.4783 -11.6883 TIMING: 1335800 CPU: 4221.79, 0.00316167/step Wall: 4221.79, 0.00316167/step, 3.21805 hours remaining, 233.855469 MB of memory in use. ENERGY: 1335800 4063.9016 20643.1130 14518.0031 227.5577 -203398.8350 2740.2574 0.0000 0.0000 52109.0904 -109096.9117 299.4717 -161206.0022 -108736.4331 299.7751 -0.7595 21.6267 763686.2629 -2.1094 -1.9172 PRESSURE: 1336000 -149.554 -256.576 -19.3634 -256.576 -4.29616 55.8355 -19.3633 55.8348 79.521 GPRESSURE: 1336000 -163.469 -135.966 -46.6647 -240.453 91.6311 15.5188 -8.81245 131.619 75.1321 PRESSAVG: 1336000 77.8747 -44.3409 34.7562 -44.3409 -61.3952 28.8085 34.7562 28.8084 28.7606 GPRESSAVG: 1336000 78.2457 -44.0407 35.0934 -44.3902 -59.8367 29.1544 37.5361 28.6538 27.0413 TIMING: 1336000 CPU: 4222.42, 0.00315144/step Wall: 4222.42, 0.00315144/step, 3.20747 hours remaining, 233.855469 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: 1336000 3956.9469 20471.3148 14486.1008 226.7150 -202724.1960 2311.9792 0.0000 0.0000 52237.0933 -109034.0460 300.2073 -161271.1393 -108660.1282 299.8063 -24.7765 1.0979 763693.4638 15.0801 15.1501 PRESSURE: 1336200 87.9216 -52.2627 -36.899 -52.2633 -281.612 -80.2199 -36.8985 -80.22 -403.716 GPRESSURE: 1336200 162.143 -208.303 15.9066 63.0296 -361.119 -35.6132 -74.1257 -191.433 -307.651 PRESSAVG: 1336200 61.5101 -39.9502 9.65242 -39.9502 -19.5624 7.83658 9.65253 7.83662 -17.5357 GPRESSAVG: 1336200 60.2542 -39.7376 9.99321 -40.5368 -19.3855 8.82681 8.60808 8.5049 -16.8487 TIMING: 1336200 CPU: 4223.05, 0.00315026/step Wall: 4223.05, 0.00315026/step, 3.20609 hours remaining, 233.855469 MB of memory in use. ENERGY: 1336200 4076.6930 20703.4649 14555.3994 259.9104 -203121.9968 2602.2899 0.0000 0.0000 51929.1784 -108995.0608 298.4377 -160924.2392 -108643.5972 299.9614 -199.1356 -168.8760 763998.7618 8.1373 8.0067 LDB: ============= START OF LOAD BALANCING ============== 4235.58 LDB: ============== END OF LOAD BALANCING =============== 4235.58 LDB: =============== DONE WITH MIGRATION ================ 4235.59 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 4235.91 LDB: Largest compute 7041 load 0.029456 is 15.1% of average load 0.195490 LDB: Average compute 0.004379 is 2.2% of average load 0.195490 LDB: TIME 4235.91 LOAD: AVG 0.19549 MAX 0.215231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.852 MB LDB: TIME 4235.91 LOAD: AVG 0.19549 MAX 0.215231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.855 MB LDB: TIME 4235.91 LOAD: AVG 0.19549 MAX 0.215231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.855 MB LDB: ============== END OF LOAD BALANCING =============== 4235.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4235.92 PRESSURE: 1336400 1.78426 -171.895 -159.051 -171.896 -108.052 45.6124 -159.052 45.6117 -97.793 GPRESSURE: 1336400 40.498 -79.9816 -52.6659 -158.084 -93.4355 42.8424 -222.834 25.35 -66.9146 PRESSAVG: 1336400 -3.47109 -6.87457 0.372616 -6.87459 -26.5807 -4.35499 0.372627 -4.35499 1.45327 GPRESSAVG: 1336400 -1.57647 -6.7693 0.0192389 -6.31488 -27.0876 -5.61344 0.425247 -5.11075 0.373231 TIMING: 1336400 CPU: 4223.7, 0.00323689/step Wall: 4223.7, 0.00323689/step, 3.29407 hours remaining, 232.878906 MB of memory in use. ENERGY: 1336400 3990.6035 20568.2417 14460.4655 256.6946 -203019.0748 2557.0716 0.0000 0.0000 52344.5095 -108841.4885 300.8246 -161185.9980 -108476.1930 300.0293 -68.0202 -39.9507 762259.5616 -9.5328 -9.4303 PRESSURE: 1336600 -386.807 -138.22 150.739 -138.22 -190.275 -8.97554 150.739 -8.97513 40.5354 GPRESSURE: 1336600 -388.853 -154.658 140.173 -11.0098 -74.387 -78.0781 84.199 97.0328 -5.31438 PRESSAVG: 1336600 39.9789 -15.3613 -9.77804 -15.3613 18.8823 43.4401 -9.7781 43.4401 -17.3466 GPRESSAVG: 1336600 39.1994 -15.7143 -9.78351 -14.2425 19.3228 41.4539 -8.53141 44.1472 -16.7324 TIMING: 1336600 CPU: 4224.33, 0.00316856/step Wall: 4224.33, 0.00316856/step, 3.22436 hours remaining, 233.082031 MB of memory in use. ENERGY: 1336600 3977.3499 20703.6760 14578.6967 244.6436 -203188.9949 2584.5546 0.0000 0.0000 52114.1696 -108985.9044 299.5008 -161100.0741 -108620.4728 299.7234 -178.8491 -156.1846 762353.4918 13.8382 13.9299 PRESSURE: 1336800 -150.283 110.571 112.464 110.571 -197.731 41.8875 112.465 41.888 238.251 GPRESSURE: 1336800 -126.407 181.277 61.324 48.2188 -182.721 30.7476 133.511 97.7845 274.233 PRESSAVG: 1336800 -38.7479 -7.24215 -38.3753 -7.24214 -24.4597 -14.0947 -38.3753 -14.0946 20.1776 GPRESSAVG: 1336800 -38.7529 -6.42867 -38.9926 -7.32536 -24.9053 -11.8392 -38.9853 -16.5545 20.2322 TIMING: 1336800 CPU: 4224.96, 0.00315855/step Wall: 4224.96, 0.00315855/step, 3.214 hours remaining, 233.082031 MB of memory in use. ENERGY: 1336800 3966.4788 20527.7057 14553.9084 249.7844 -203037.9735 2540.7365 0.0000 0.0000 52160.9514 -109038.4083 299.7697 -161199.3597 -108679.3885 299.7637 -36.5878 -11.6316 762582.4707 -14.3433 -14.4753 PRESSURE: 1337000 -7.16275 -36.1615 5.12296 -36.162 -187.985 139.295 5.12299 139.295 75.1245 GPRESSURE: 1337000 -14.0504 -23.0807 -90.7545 -67.66 -32.4748 170.548 -32.152 98.3487 13.5018 PRESSAVG: 1337000 -27.5842 6.66602 -4.55556 6.66603 34.069 14.7565 -4.55561 14.7565 9.45163 GPRESSAVG: 1337000 -28.8082 7.52467 -3.31031 7.19551 34.1981 15.0749 -4.35167 15.9826 10.2437 TIMING: 1337000 CPU: 4225.6, 0.0031552/step Wall: 4225.6, 0.0031552/step, 3.21041 hours remaining, 233.082031 MB of memory in use. ENERGY: 1337000 4016.9227 20442.9043 14497.9133 267.0642 -203301.5133 2820.4850 0.0000 0.0000 51944.3578 -109311.8660 298.5249 -161256.2238 -108955.0494 299.2554 -40.0079 -11.0078 762324.1845 5.3121 5.2112 PRESSURE: 1337200 123.901 -72.4175 -76.4164 -72.4184 -105.082 53.5203 -76.4171 53.5204 -131.752 GPRESSURE: 1337200 174.776 -152.331 -102.858 -30.0771 -120.475 57.9796 -109.952 -17.3381 -81.6848 PRESSAVG: 1337200 37.8979 6.41725 9.85317 6.41726 -37.0067 32.4932 9.85318 32.4931 17.6578 GPRESSAVG: 1337200 39.8672 5.59043 8.7681 6.36063 -36.9817 31.1876 10.8205 32.6076 16.2544 TIMING: 1337200 CPU: 4226.23, 0.00316755/step Wall: 4226.23, 0.00316755/step, 3.2228 hours remaining, 233.082031 MB of memory in use. ENERGY: 1337200 3968.4671 20543.6665 14569.2081 216.6830 -203196.8290 2748.9928 0.0000 0.0000 51804.1021 -109345.7095 297.7189 -161149.8116 -108988.7127 298.7950 -37.6445 -9.1281 761942.6045 6.1830 6.3800 PRESSURE: 1337400 -53.4692 -113.977 20.2778 -113.977 -12.9508 48.6206 20.2782 48.6204 122.729 GPRESSURE: 1337400 -10.4342 -130.148 83.5664 -36.5766 -2.00714 70.2726 -115.876 140.343 141.041 PRESSAVG: 1337400 23.3016 26.3691 -45.1263 26.3692 -6.93189 20.1135 -45.1263 20.1136 -9.88258 GPRESSAVG: 1337400 23.2518 26.3921 -45.5324 25.9494 -6.88378 20.9161 -43.781 20.5719 -10.0005 TIMING: 1337400 CPU: 4226.86, 0.00316838/step Wall: 4226.86, 0.00316838/step, 3.22347 hours remaining, 233.082031 MB of memory in use. ENERGY: 1337400 3911.3072 20503.2522 14560.2450 232.9015 -203157.1577 2471.5777 0.0000 0.0000 52356.1692 -109121.7049 300.8916 -161477.8741 -108751.2451 299.5517 18.7697 42.8665 761823.8245 2.1624 2.1225 PRESSURE: 1337600 461.049 119.145 -111.05 119.145 75.162 133.782 -111.049 133.781 -132.652 GPRESSURE: 1337600 525.47 138.201 -204.727 24.2971 87.5059 207.163 -201.802 224.77 -125.669 PRESSAVG: 1337600 24.0073 25.5916 -56.346 25.5916 -14.0982 67.7873 -56.346 67.7873 5.65907 GPRESSAVG: 1337600 23.7718 25.562 -56.5415 24.6092 -13.9141 67.4496 -58.474 65.1364 5.96086 TIMING: 1337600 CPU: 4227.5, 0.00318805/step Wall: 4227.5, 0.00318805/step, 3.24331 hours remaining, 233.082031 MB of memory in use. ENERGY: 1337600 4083.1452 20611.3849 14523.6049 253.1545 -203571.5956 2773.7854 0.0000 0.0000 52036.6617 -109289.8590 299.0554 -161326.5207 -108928.7808 299.6476 134.5197 162.4355 760733.9090 5.1894 5.2728 PRESSURE: 1337800 -156.573 -101.833 29.5489 -101.832 -130.261 -173.139 29.5485 -173.139 299.773 GPRESSURE: 1337800 -101.968 -106.488 33.1603 -276.157 -71.7555 -83.8588 52.6185 -294.806 279.296 PRESSAVG: 1337800 -34.7578 29.911 -30.9506 29.911 36.0336 25.0864 -30.9506 25.0863 -9.41602 GPRESSAVG: 1337800 -34.4099 29.8711 -31.6198 29.0796 35.2109 24.4744 -30.0447 27.9475 -8.81609 TIMING: 1337800 CPU: 4228.14, 0.00317749/step Wall: 4228.14, 0.00317749/step, 3.23239 hours remaining, 233.082031 MB of memory in use. ENERGY: 1337800 4009.5921 20467.8057 14579.4516 263.4717 -203194.3583 2560.6650 0.0000 0.0000 52133.3358 -109180.0364 299.6110 -161313.3723 -108815.7255 299.7693 4.3132 35.1908 760212.6237 -2.7134 -2.6717 PRESSURE: 1338000 -308.931 116.761 52.3544 116.762 -286.801 100.876 52.3542 100.877 -254.824 GPRESSURE: 1338000 -273.571 -40.2767 42.5723 45.9497 -221.027 122.04 38.3005 93.4003 -252.882 PRESSAVG: 1338000 44.7938 18.529 4.86258 18.529 -22.8127 22.6369 4.86253 22.6369 30.1868 GPRESSAVG: 1338000 45.0202 17.3641 4.66558 19.3365 -21.5114 22.8894 3.72548 22.5063 29.027 TIMING: 1338000 CPU: 4228.77, 0.00318016/step Wall: 4228.77, 0.00318016/step, 3.23493 hours remaining, 233.082031 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: 1338000 3919.0738 20541.1747 14557.9198 250.0150 -202433.7597 2061.6626 0.0000 0.0000 52068.4546 -109035.4593 299.2381 -161103.9139 -108669.6957 299.5986 -283.5188 -249.1602 760927.9415 17.3893 17.5119 PRESSURE: 1338200 -262.37 134.188 211.345 134.189 -188.026 83.4111 211.344 83.4105 352.69 GPRESSURE: 1338200 -190.652 137.389 191.787 98.554 -137.306 53.5202 181.689 8.5706 332.072 PRESSAVG: 1338200 -16.9118 28.2623 0.906659 28.2623 16.0931 40.5295 0.906648 40.5295 10.3013 GPRESSAVG: 1338200 -17.5532 28.612 3.41805 28.8216 15.4955 40.4884 1.73265 39.6161 11.0508 TIMING: 1338200 CPU: 4229.41, 0.00316748/step Wall: 4229.41, 0.00316748/step, 3.22185 hours remaining, 233.082031 MB of memory in use. ENERGY: 1338200 3952.8343 20523.9860 14555.6048 249.2111 -202328.7548 1941.7625 0.0000 0.0000 52410.7077 -108694.6484 301.2051 -161105.3561 -108327.9319 300.0362 -32.5685 1.3711 761268.1102 3.1609 2.9977 PRESSURE: 1338400 -2.49475 -55.3674 -33.3954 -55.3678 -94.9897 36.4002 -33.3946 36.3989 -135.498 GPRESSURE: 1338400 -8.11182 0.667775 -201.376 -73.0045 -36.5447 -0.290522 155.87 141.025 -94.5318 PRESSAVG: 1338400 -38.5756 2.92685 8.35894 2.92686 28.2727 -10.638 8.35898 -10.6381 15.8518 GPRESSAVG: 1338400 -38.6033 3.34963 8.64624 2.04748 26.9325 -9.98708 9.26173 -11.703 17.056 TIMING: 1338400 CPU: 4230.04, 0.00314943/step Wall: 4230.04, 0.00314943/step, 3.20332 hours remaining, 233.082031 MB of memory in use. ENERGY: 1338400 3975.4092 20597.7131 14560.3701 256.0788 -202690.3662 2302.6938 0.0000 0.0000 52437.6624 -108560.4388 301.3600 -160998.1012 -108205.0739 300.5403 -77.6610 -46.3961 762580.8238 1.8496 1.7950 PRESSURE: 1338600 80.9324 138.007 -109.476 138.008 -85.2266 127.032 -109.475 127.032 56.2434 GPRESSURE: 1338600 7.29042 278.454 -128.291 73.8051 29.866 57.5827 -154.568 97.5049 98.3862 PRESSAVG: 1338600 3.85955 -54.7259 11.1317 -54.7258 2.85605 23.4622 11.1317 23.4623 -27.9244 GPRESSAVG: 1338600 3.7474 -54.6082 10.1584 -54.6614 3.25907 22.1084 9.57227 25.9848 -27.8622 TIMING: 1338600 CPU: 4230.67, 0.0031691/step Wall: 4230.67, 0.0031691/step, 3.22315 hours remaining, 233.082031 MB of memory in use. ENERGY: 1338600 4079.2609 20511.4894 14500.1001 237.4829 -202796.5477 2456.1336 0.0000 0.0000 52305.7969 -108706.2839 300.6021 -161012.0808 -108350.0137 300.5748 17.3164 45.1809 761897.5468 -7.0696 -6.9519 PRESSURE: 1338800 60.9399 52.0037 -1.56927 52.0036 -183.101 -30.4114 -1.56908 -30.4112 -160.869 GPRESSURE: 1338800 29.6715 -27.5371 27.4964 39.8055 -141.297 37.1637 48.0456 88.1736 -84.0735 PRESSAVG: 1338800 18.2098 21.2856 5.87318 21.2856 -21.3797 19.9209 5.87313 19.9209 31.827 GPRESSAVG: 1338800 19.7562 21.9485 6.31322 19.5562 -20.345 18.7229 7.36921 17.4568 28.8215 TIMING: 1338800 CPU: 4231.3, 0.00316183/step Wall: 4231.3, 0.00316183/step, 3.21558 hours remaining, 233.082031 MB of memory in use. ENERGY: 1338800 4053.9953 20588.1228 14557.8500 259.8934 -203056.8227 2621.7772 0.0000 0.0000 52337.8750 -108637.3089 300.7865 -160975.1839 -108271.4808 300.5423 -94.3434 -65.2331 761851.1200 9.5524 9.4109 PRESSURE: 1339000 -1.57055 -179.305 -25.5248 -179.306 45.9373 91.432 -25.5256 91.4335 -24.3718 GPRESSURE: 1339000 65.0513 -197.697 33.348 -114.819 -32.8335 135.261 -135.643 167.562 64.4051 PRESSAVG: 1339000 13.404 19.0932 -20.3132 19.0932 37.4037 -13.0451 -20.3132 -13.0449 -24.6751 GPRESSAVG: 1339000 12.3164 18.4506 -20.3452 21.8091 36.8366 -11.4267 -21.3663 -11.3158 -22.6341 TIMING: 1339000 CPU: 4231.93, 0.00316284/step Wall: 4231.93, 0.00316284/step, 3.21643 hours remaining, 233.082031 MB of memory in use. ENERGY: 1339000 4114.2204 20474.8533 14493.1598 270.0669 -203265.7496 2759.2006 0.0000 0.0000 52275.2851 -108878.9635 300.4268 -161154.2487 -108522.3583 300.5798 6.6650 32.2076 761820.9076 8.7109 8.8396 PRESSURE: 1339200 -149.328 -181.131 -164.003 -181.131 -32.4603 244.575 -164.004 244.574 -375.597 GPRESSURE: 1339200 -141.928 -200.434 -199.829 -88.4939 50.8588 168.96 -124.606 135.752 -388.244 PRESSAVG: 1339200 -75.094 0.622259 64.5699 0.622239 29.9681 76.1472 64.57 76.1472 7.12563 GPRESSAVG: 1339200 -74.6117 0.377251 64.2618 0.21268 29.5904 75.97 64.7079 75.8745 6.8272 TIMING: 1339200 CPU: 4232.57, 0.00318188/step Wall: 4232.57, 0.00318188/step, 3.23562 hours remaining, 233.082031 MB of memory in use. ENERGY: 1339200 3999.1852 20476.4880 14458.4377 236.9994 -202965.0612 2271.8986 0.0000 0.0000 52496.6295 -109025.4228 301.6989 -161522.0523 -108651.9532 300.5079 -185.7951 -159.7711 762467.2915 -12.6668 -12.7314 PRESSURE: 1339400 -40.0719 -35.9915 320.5 -35.9913 17.9847 107.812 320.5 107.813 12.4759 GPRESSURE: 1339400 -1.81892 49.5415 289.569 -139.466 80.813 49.5157 183.795 81.0691 6.85999 PRESSAVG: 1339400 -16.8203 8.75505 -18.5357 8.75501 19.4837 -1.6047 -18.5358 -1.60467 27.7747 GPRESSAVG: 1339400 -17.624 8.30451 -18.0707 10.7631 19.9682 -3.41081 -19.1961 -2.04433 27.7753 TIMING: 1339400 CPU: 4233.21, 0.0031759/step Wall: 4233.21, 0.0031759/step, 3.22936 hours remaining, 233.082031 MB of memory in use. ENERGY: 1339400 3975.6133 20522.9947 14432.2983 265.3165 -203284.5248 2593.8778 0.0000 0.0000 52249.8212 -109244.6030 300.2804 -161494.4242 -108872.2317 299.7009 -3.2038 28.6180 761942.0419 10.1461 10.0398 PRESSURE: 1339600 -222.485 150.678 9.68779 150.679 -193.746 76.0355 9.68727 76.0346 -149.039 GPRESSURE: 1339600 -250.016 89.0832 25.0093 46.3274 -196.055 26.5131 -80.0977 -17.2912 -27.9298 PRESSAVG: 1339600 20.5853 24.6081 -32.6649 24.608 -31.1432 73.6635 -32.6649 73.6635 17.1585 GPRESSAVG: 1339600 20.6991 24.1052 -31.9262 21.8166 -30.952 73.4835 -31.4646 73.4644 17.1579 TIMING: 1339600 CPU: 4233.84, 0.00315902/step Wall: 4233.84, 0.00315902/step, 3.21202 hours remaining, 233.082031 MB of memory in use. ENERGY: 1339600 3977.5346 20409.1350 14476.2654 265.0886 -203105.8190 2385.3724 0.0000 0.0000 52189.1735 -109403.2496 299.9319 -161592.4231 -109039.0794 299.1079 -188.4234 -158.0003 761974.5936 2.2002 2.3017 PRESSURE: 1339800 62.094 319.816 -179.779 319.816 117.771 75.2175 -179.778 75.2178 299.733 GPRESSURE: 1339800 163.68 166.529 -91.1872 204.344 106.812 96.3586 -77.9706 130.683 274.749 PRESSAVG: 1339800 13.0154 47.3645 -18.321 47.3645 -5.27216 17.4912 -18.3209 17.4911 10.5077 GPRESSAVG: 1339800 14.2746 50.3372 -20.366 46.9735 -6.15063 17.8195 -21.4938 18.1842 10.2425 TIMING: 1339800 CPU: 4234.47, 0.00315121/step Wall: 4234.47, 0.00315121/step, 3.2039 hours remaining, 233.082031 MB of memory in use. ENERGY: 1339800 3939.9498 20415.9457 14490.9223 264.5118 -203629.1956 2891.0782 0.0000 0.0000 52035.7506 -109591.0373 299.0502 -161626.7879 -109226.7009 298.9747 159.8659 181.7468 761993.3790 6.0836 6.1222 PRESSURE: 1340000 269.278 -292.265 -48.1446 -292.266 -484.187 109.268 -48.1437 109.268 75.072 GPRESSURE: 1340000 298.073 -300.303 -7.35665 -268.582 -459.339 77.3112 -25.3865 71.2079 90.0587 PRESSAVG: 1340000 45.687 -26.1468 -27.6575 -26.1467 -2.54106 22.3449 -27.6576 22.3448 -25.7103 GPRESSAVG: 1340000 44.7419 -29.1644 -28.9573 -24.0102 -1.98002 23.013 -24.6011 21.1688 -25.511 TIMING: 1340000 CPU: 4235.1, 0.00314336/step Wall: 4235.1, 0.00314336/step, 3.19575 hours remaining, 233.082031 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: 1340000 4092.5886 20494.5385 14538.0921 234.4589 -203281.5410 2281.0933 0.0000 0.0000 52346.8143 -109293.9552 300.8379 -161640.7695 -108930.9455 299.3926 -46.6123 -23.7356 761023.8903 5.8119 5.7503 PRESSURE: 1340200 -478.182 53.0037 -121.008 53.0037 -210.934 127.211 -121.008 127.212 -391.649 GPRESSURE: 1340200 -462.498 -30.9672 -160.391 -28.9784 -161.268 172.798 -63.4574 63.3995 -373.237 PRESSAVG: 1340200 24.4261 -36.7786 -52.6853 -36.7785 -10.5088 31.258 -52.6853 31.258 -1.11475 GPRESSAVG: 1340200 25.055 -36.358 -49.9157 -38.5376 -11.0679 32.52 -54.2265 30.7018 -1.52101 TIMING: 1340200 CPU: 4235.72, 0.00314216/step Wall: 4235.72, 0.00314216/step, 3.19436 hours remaining, 233.082031 MB of memory in use. ENERGY: 1340200 3996.9272 20529.1474 14455.8195 229.3246 -203161.4673 2711.0389 0.0000 0.0000 52011.8329 -109227.3769 298.9127 -161239.2098 -108862.1508 299.5502 -360.2549 -332.3342 761609.4070 4.2675 4.1553 LDB: ============= START OF LOAD BALANCING ============== 4248.26 LDB: ============== END OF LOAD BALANCING =============== 4248.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4248.26 LDB: ============= START OF LOAD BALANCING ============== 4248.57 LDB: Largest compute 7042 load 0.030029 is 15.4% of average load 0.195425 LDB: Average compute 0.004399 is 2.3% of average load 0.195425 LDB: TIME 4248.58 LOAD: AVG 0.195425 MAX 0.215119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.93 MB LDB: TIME 4248.58 LOAD: AVG 0.195425 MAX 0.215119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: TIME 4248.58 LOAD: AVG 0.195425 MAX 0.215119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.969 MB LDB: ============== END OF LOAD BALANCING =============== 4248.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4248.58 PRESSURE: 1340400 -35.6183 -117.024 -230.02 -117.024 -2.13774 207.37 -230.02 207.37 -55.4385 GPRESSURE: 1340400 9.7543 -135.587 -186.711 -35.2248 29.0954 163.897 -302.294 228.024 -51.9075 PRESSAVG: 1340400 -18.8243 -22.2598 -15.7939 -22.2598 6.08523 26.4779 -15.7939 26.4778 -23.6214 GPRESSAVG: 1340400 -19.5639 -22.0298 -18.1209 -22.2161 7.08164 25.6896 -12.8044 26.5636 -23.7409 TIMING: 1340400 CPU: 4236.37, 0.00321447/step Wall: 4236.37, 0.00321447/step, 3.26769 hours remaining, 233.390625 MB of memory in use. ENERGY: 1340400 3988.4015 20569.5473 14516.3278 246.6241 -203701.5514 2854.6412 0.0000 0.0000 52090.4432 -109435.5663 299.3645 -161526.0095 -109078.1798 298.9698 -31.0649 -4.3526 762049.7860 -12.1202 -12.0744 PRESSURE: 1340600 -66.8679 140.977 80.8858 140.977 155.478 286.08 80.8858 286.081 358.048 GPRESSURE: 1340600 25.22 -8.65113 86.9722 68.0872 170.694 220.149 97.5631 279.983 322.717 PRESSAVG: 1340600 26.5023 -0.403603 -5.08424 -0.403609 -63.6241 12.5117 -5.08422 12.5117 10.4692 GPRESSAVG: 1340600 27.0089 1.78773 -4.46724 -0.0335576 -64.1653 12.8416 -5.08524 13.1949 10.9132 TIMING: 1340600 CPU: 4237, 0.00314398/step Wall: 4237, 0.00314398/step, 3.19586 hours remaining, 233.593750 MB of memory in use. ENERGY: 1340600 4011.6155 20666.8094 14519.9137 232.4465 -203488.0723 2732.7218 0.0000 0.0000 51711.7834 -109612.7819 297.1883 -161324.5653 -109255.4390 299.4099 148.8862 172.8771 762324.2624 -8.8842 -8.7477 PRESSURE: 1340800 30.6073 171.033 -43.8299 171.032 -165.244 100.536 -43.8286 100.536 -289.332 GPRESSURE: 1340800 11.7634 132.972 -126.405 34.2874 -128.762 72.0588 -68.3499 28.3391 -233.811 PRESSAVG: 1340800 22.1864 -16.2123 12.7223 -16.2123 -50.5677 -7.36227 12.7223 -7.36227 17.1386 GPRESSAVG: 1340800 20.838 -17.2867 13.7216 -15.9746 -49.9966 -7.31943 10.4556 -8.61003 17.7573 TIMING: 1340800 CPU: 4237.63, 0.00316625/step Wall: 4237.63, 0.00316625/step, 3.21832 hours remaining, 233.593750 MB of memory in use. ENERGY: 1340800 4036.5405 20234.6355 14500.3226 240.4031 -203085.3139 2517.8102 0.0000 0.0000 51876.3885 -109679.2135 298.1343 -161555.6021 -109306.0863 297.9021 -141.3231 -116.9365 762891.5213 -3.7476 -3.8004 PRESSURE: 1341000 -246.075 55.5318 57.2593 55.5319 103.254 -68.341 57.2601 -68.341 -284.673 GPRESSURE: 1341000 -200.652 -53.4102 22.4397 75.8716 116.773 15.4189 30.5005 -127.103 -274.534 PRESSAVG: 1341000 7.22065 13.1808 12.3044 13.1808 -61.4902 5.3588 12.3045 5.35883 -10.8543 GPRESSAVG: 1341000 8.1647 11.6045 10.8937 11.4983 -61.4873 3.85087 12.6192 8.60513 -11.6078 TIMING: 1341000 CPU: 4238.26, 0.00316046/step Wall: 4238.26, 0.00316046/step, 3.21225 hours remaining, 233.593750 MB of memory in use. ENERGY: 1341000 3935.0160 20510.9542 14533.2061 255.1416 -203271.0910 2683.6668 0.0000 0.0000 51971.3819 -109381.7242 298.6802 -161353.1061 -109013.5559 298.0939 -142.4980 -119.4712 762574.9815 -21.7079 -21.6435 PRESSURE: 1341200 205.819 -30.6495 -46.9916 -30.649 32.802 106.156 -46.9928 106.156 -406.273 GPRESSURE: 1341200 276.084 -96.2058 -67.1548 -47.1933 -29.7133 143.68 -55.5369 96.796 -340.064 PRESSAVG: 1341200 30.0026 7.18476 -7.17451 7.18472 -13.8621 27.0286 -7.1745 27.0285 -4.13753 GPRESSAVG: 1341200 29.6357 8.53621 -6.4416 7.71185 -13.2969 27.3642 -6.40085 26.5757 -4.29829 TIMING: 1341200 CPU: 4238.89, 0.00315873/step Wall: 4238.89, 0.00315873/step, 3.21032 hours remaining, 233.593750 MB of memory in use. ENERGY: 1341200 3948.5281 20589.5610 14496.3364 230.1259 -203439.0315 2650.6876 0.0000 0.0000 52111.8516 -109411.9409 299.4875 -161523.7925 -109046.7438 299.1006 -55.8841 -31.2309 763106.1112 4.0010 4.0135 PRESSURE: 1341400 -143.128 -33.3385 -134.544 -33.3388 -6.88341 -104.86 -134.544 -104.861 -64.0761 GPRESSURE: 1341400 -62.9002 -18.7929 -218.78 -18.9811 31.8291 -82.2476 -81.1296 -99.7999 -89.7098 PRESSAVG: 1341400 47.4456 -6.54777 12.1906 -6.54775 -18.4335 3.40085 12.1906 3.40081 -12.587 GPRESSAVG: 1341400 47.3017 -4.02055 12.3967 -7.19284 -17.8035 4.20142 11.6831 1.37421 -12.6532 TIMING: 1341400 CPU: 4239.53, 0.00316224/step Wall: 4239.53, 0.00316224/step, 3.21371 hours remaining, 233.593750 MB of memory in use. ENERGY: 1341400 4080.1597 20389.9885 14482.9177 240.1559 -202935.2760 2304.3712 0.0000 0.0000 51844.7975 -109592.8857 297.9528 -161437.6831 -109225.6437 299.2209 -71.3625 -40.2603 761382.9335 5.4750 5.6150 PRESSURE: 1341600 -228.105 -99.8239 -162.271 -99.8238 34.4726 -16.7893 -162.271 -16.7904 116.452 GPRESSURE: 1341600 -182.231 -111.726 -154.537 -152.055 1.11446 -102.31 -122.797 -33.855 177.865 PRESSAVG: 1341600 35.6887 -10.6957 -57.375 -10.6956 6.29005 -24.8837 -57.3749 -24.8839 -9.64396 GPRESSAVG: 1341600 35.2732 -13.703 -56.4722 -9.22437 6.22595 -26.3837 -55.454 -23.7016 -9.5279 TIMING: 1341600 CPU: 4240.16, 0.00315981/step Wall: 4240.16, 0.00315981/step, 3.21107 hours remaining, 233.593750 MB of memory in use. ENERGY: 1341600 3993.8967 20622.8890 14537.2986 237.1066 -203267.5612 2526.4471 0.0000 0.0000 52060.2789 -109289.6443 299.1911 -161349.9232 -108932.7124 298.7919 -25.7268 -1.0839 760692.9792 10.7783 10.6571 PRESSURE: 1341800 -134.06 -91.5968 -193.275 -91.5964 21.6736 50.9512 -193.275 50.9503 248.084 GPRESSURE: 1341800 -0.112553 -71.4947 -128.521 -46.9097 46.4544 38.9123 -200.506 172.358 184.544 PRESSAVG: 1341800 -14.7492 -11.8715 -75.2001 -11.8715 6.38488 8.63485 -75.2 8.63479 -20.5349 GPRESSAVG: 1341800 -12.865 -10.5627 -74.5567 -12.875 4.93185 7.5658 -78.6582 9.3388 -21.2853 TIMING: 1341800 CPU: 4240.79, 0.00314293/step Wall: 4240.79, 0.00314293/step, 3.19374 hours remaining, 233.593750 MB of memory in use. ENERGY: 1341800 3991.5783 20589.3149 14517.9084 242.8922 -203632.2019 2829.7790 0.0000 0.0000 52165.1577 -109295.5714 299.7939 -161460.7292 -108928.8752 299.3156 45.2327 76.9621 760931.1853 -9.6331 -9.7395 PRESSURE: 1342000 -529.969 -112.304 8.27383 -112.304 -369.131 74.1378 8.27411 74.1381 -451.324 GPRESSURE: 1342000 -533.584 -74.76 1.10683 -20.4794 -373.502 45.9907 43.4914 156.011 -370.598 PRESSAVG: 1342000 -21.7958 -23.8759 -13.7905 -23.8759 18.6301 23.3539 -13.7906 23.354 -1.18246 GPRESSAVG: 1342000 -22.9427 -24.2505 -14.9521 -23.3821 18.8901 25.0592 -13.211 24.3081 -0.0679333 TIMING: 1342000 CPU: 4241.42, 0.00315471/step Wall: 4241.42, 0.00315471/step, 3.20554 hours remaining, 233.593750 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: 1342000 4051.8308 20421.8555 14583.8388 247.5662 -203437.7118 2515.1709 0.0000 0.0000 52000.8474 -109616.6023 298.8496 -161617.4496 -109253.6981 299.3779 -450.1415 -425.8949 762455.6964 -1.4494 -1.3735 PRESSURE: 1342200 -161.96 -42.0844 -158.525 -42.0841 -157.746 -50.315 -158.525 -50.315 -30.3445 GPRESSURE: 1342200 34.1267 -73.6277 -145.191 -79.4664 -184.429 -17.6204 -138.712 -125.678 -102.633 PRESSAVG: 1342200 48.5872 32.8437 16.9464 32.8437 -39.0186 65.7851 16.9464 65.7852 -4.65721 GPRESSAVG: 1342200 51.4746 31.586 18.3166 33.7468 -40.2347 65.4005 19.2727 63.9421 -5.99973 TIMING: 1342200 CPU: 4242.05, 0.00315609/step Wall: 4242.05, 0.00315609/step, 3.20677 hours remaining, 233.593750 MB of memory in use. ENERGY: 1342200 4052.9184 20556.1984 14509.7505 227.1796 -203491.0423 2751.9834 0.0000 0.0000 51834.8836 -109558.1284 297.8958 -161393.0120 -109191.6627 298.5696 -116.6835 -84.3117 760552.8287 1.6371 1.7467 PRESSURE: 1342400 -217.92 55.6158 -107.42 55.6162 149.464 -43.6339 -107.419 -43.6349 -321.244 GPRESSURE: 1342400 -138.249 137.956 -109.236 18.4808 127.311 53.9866 -77.2474 -41.2173 -284.057 PRESSAVG: 1342400 39.3811 38.4307 -26.6645 38.4307 -55.1473 7.36928 -26.6646 7.36937 -10.8819 GPRESSAVG: 1342400 38.0395 37.341 -27.0445 37.4125 -54.0429 7.77937 -26.5829 7.8258 -10.1812 TIMING: 1342400 CPU: 4242.68, 0.00314108/step Wall: 4242.68, 0.00314108/step, 3.19134 hours remaining, 233.593750 MB of memory in use. ENERGY: 1342400 4090.3387 20455.0933 14613.0660 228.9635 -203780.8796 2715.5004 0.0000 0.0000 52017.6742 -109660.2435 298.9463 -161677.9176 -109301.6764 298.3336 -129.9000 -98.3316 761650.7266 -8.8827 -8.7282 PRESSURE: 1342600 -432.278 134.685 260.352 134.685 -488.967 201.69 260.351 201.69 147.534 GPRESSURE: 1342600 -408.488 150.914 221.502 149.882 -397.324 233.976 297.027 86.4361 110.94 PRESSAVG: 1342600 -3.62277 10.3876 -22.7191 10.3876 -22.4884 -11.7477 -22.719 -11.7477 -22.7473 GPRESSAVG: 1342600 -4.25717 13.3535 -23.7795 10.9388 -22.913 -10.9999 -25.8976 -12.3965 -21.4757 TIMING: 1342600 CPU: 4243.31, 0.0031722/step Wall: 4243.31, 0.0031722/step, 3.22278 hours remaining, 233.593750 MB of memory in use. ENERGY: 1342600 3949.2715 20407.7387 14516.9695 248.2359 -203209.5846 2602.0023 0.0000 0.0000 51939.1213 -109546.2454 298.4948 -161485.3667 -109181.8441 298.2207 -257.9037 -231.6242 762780.8106 -16.2862 -16.2153 PRESSURE: 1342800 -310.415 -97.6808 -36.4155 -97.681 175.088 -148.406 -36.4161 -148.405 -168.445 GPRESSURE: 1342800 -283.255 -54.618 15.0264 -74.9296 171.762 -27.3459 35.3398 -135.975 -102.005 PRESSAVG: 1342800 3.57634 29.6966 -41.9678 29.6966 -17.2177 -10.7984 -41.9678 -10.7984 15.9275 GPRESSAVG: 1342800 4.5437 29.6429 -40.4401 29.8394 -17.2577 -10.677 -40.4009 -10.8204 15.1206 TIMING: 1342800 CPU: 4243.94, 0.00314169/step Wall: 4243.94, 0.00314169/step, 3.19161 hours remaining, 233.593750 MB of memory in use. ENERGY: 1342800 3970.5180 20419.4987 14517.0162 228.0584 -203757.7652 2851.2066 0.0000 0.0000 51945.8806 -109825.5867 298.5337 -161771.4673 -109459.1538 298.3225 -101.2572 -71.1657 761818.1866 0.7620 0.8022 PRESSURE: 1343000 129.755 20.0238 -110.813 20.0239 -65.8937 13.3871 -110.813 13.3881 -321.965 GPRESSURE: 1343000 178.913 -53.3322 -137.62 -28.0062 -14.8451 40.2071 -182.448 -121.758 -327.809 PRESSAVG: 1343000 -2.01211 -13.3485 13.9562 -13.3484 4.51758 31.7707 13.9563 31.7707 -10.3014 GPRESSAVG: 1343000 -3.29865 -16.2713 13.8286 -13.125 5.93351 31.9836 13.9908 29.9794 -10.1065 TIMING: 1343000 CPU: 4244.57, 0.00315116/step Wall: 4244.57, 0.00315116/step, 3.20106 hours remaining, 233.593750 MB of memory in use. ENERGY: 1343000 4026.1361 20573.1088 14631.1200 258.7905 -203337.4635 2543.8618 0.0000 0.0000 51927.8653 -109376.5811 298.4302 -161304.4464 -109024.4168 298.3311 -86.0345 -54.5803 762263.4423 -2.5986 -2.4905 PRESSURE: 1343200 -95.022 363.806 32.9585 363.805 -74.6141 -262.922 32.9585 -262.922 357.35 GPRESSURE: 1343200 -75.0161 311.308 -0.781812 232.446 21.3144 -316.434 31.2939 -222.446 324.656 PRESSAVG: 1343200 28.0276 37.2426 10.6766 37.2425 -31.0068 -29.6463 10.6767 -29.6463 18.6942 GPRESSAVG: 1343200 29.2749 38.6128 10.2053 33.434 -31.4242 -31.8115 10.3857 -28.2567 17.8881 TIMING: 1343200 CPU: 4245.2, 0.00316043/step Wall: 4245.2, 0.00316043/step, 3.21029 hours remaining, 233.593750 MB of memory in use. ENERGY: 1343200 3948.8050 20693.7319 14562.4086 242.1035 -203261.3066 2441.0486 0.0000 0.0000 51867.6809 -109505.5280 298.0843 -161373.2089 -109146.4334 298.9062 62.5714 90.3183 760512.8808 5.2383 5.2463 PRESSURE: 1343400 43.7156 -61.7554 14.4222 -61.7545 261.316 -244.309 14.4221 -244.308 236.733 GPRESSURE: 1343400 -7.01906 25.8949 50.0841 -48.3518 275.809 -303.302 -74.5001 -233.075 337.331 PRESSAVG: 1343400 51.2827 12.7672 -36.4181 12.7672 -10.7303 -38.9011 -36.4181 -38.9011 -3.87468 GPRESSAVG: 1343400 50.0195 14.03 -36.9828 15.0412 -11.9527 -38.4567 -35.4012 -38.2398 -1.14821 TIMING: 1343400 CPU: 4245.83, 0.00315782/step Wall: 4245.83, 0.00315782/step, 3.20747 hours remaining, 233.593750 MB of memory in use. ENERGY: 1343400 4046.3062 20592.5971 14637.5433 231.5224 -203952.3165 3029.0789 0.0000 0.0000 51788.2438 -109627.0246 297.6277 -161415.2685 -109280.0390 298.4756 180.5883 202.0401 762103.8069 12.2259 12.3062 PRESSURE: 1343600 -266.674 212.148 -147.127 212.147 6.54672 37.5426 -147.127 37.5426 58.3921 GPRESSURE: 1343600 -245.993 199.374 -94.9879 165.148 66.9791 -1.28651 -196.163 74.2366 46.8798 PRESSAVG: 1343600 21.7277 16.446 -6.68468 16.4459 6.52729 0.468081 -6.6847 0.468131 3.91159 GPRESSAVG: 1343600 22.6486 16.711 -6.35762 16.5225 8.33081 0.420338 -7.99315 0.0560364 1.47241 TIMING: 1343600 CPU: 4246.46, 0.00315464/step Wall: 4246.46, 0.00315464/step, 3.20406 hours remaining, 233.593750 MB of memory in use. ENERGY: 1343600 3954.7764 20564.9416 14638.1651 236.1952 -203334.1274 2513.7001 0.0000 0.0000 51816.6084 -109609.7406 297.7908 -161426.3491 -109251.8326 298.5289 -67.2452 -44.0446 762973.0072 10.7222 10.8173 PRESSURE: 1343800 -294.75 -170.671 3.17028 -170.671 -396.96 -175.81 3.17029 -175.811 -73.2499 GPRESSURE: 1343800 -262.625 -101.948 61.5416 -87.4011 -414.931 -287.117 -150.969 -51.4056 -3.47949 PRESSAVG: 1343800 -3.70215 32.5685 -14.9486 32.5686 -3.3503 -1.97923 -14.9486 -1.97927 34.3037 GPRESSAVG: 1343800 -4.18563 32.6884 -13.4679 33.4036 -3.25254 -0.834368 -14.617 -1.14995 34.491 TIMING: 1343800 CPU: 4247.09, 0.00313952/step Wall: 4247.09, 0.00313952/step, 3.18854 hours remaining, 233.593750 MB of memory in use. ENERGY: 1343800 4075.9395 20389.3452 14564.1837 223.8279 -203089.1057 2429.3305 0.0000 0.0000 51898.8367 -109507.6422 298.2633 -161406.4789 -109148.8362 298.6218 -254.9866 -227.0120 764529.9823 9.0837 9.0176 PRESSURE: 1344000 -290.772 -59.3781 -99.915 -59.3782 -188.682 -116.032 -99.9153 -116.032 -314.496 GPRESSURE: 1344000 -222.003 -9.17847 -127.928 28.3403 -169.063 -186.903 89.6752 -100.738 -297.272 PRESSAVG: 1344000 -1.01547 -13.0839 -21.2228 -13.084 -29.2061 -17.5663 -21.2228 -17.5663 14.6358 GPRESSAVG: 1344000 -0.339523 -12.9573 -22.2992 -12.9891 -29.3243 -18.2253 -19.5292 -20.8459 14.147 TIMING: 1344000 CPU: 4247.72, 0.00314309/step Wall: 4247.72, 0.00314309/step, 3.19199 hours remaining, 233.593750 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: 1344000 3970.3779 20413.8530 14588.6926 247.1849 -203432.2254 2768.3092 0.0000 0.0000 51966.3925 -109477.4153 298.6516 -161443.8078 -109114.8828 298.6958 -264.6500 -229.4462 764145.1308 -5.1953 -5.1723 PRESSURE: 1344200 183.339 -125.647 -75.0116 -125.647 378.334 9.87953 -75.0116 9.87951 112.483 GPRESSURE: 1344200 209.484 -147.16 -97.3934 -74.4697 364.934 -58.2539 -148.01 -44.6291 193.224 PRESSAVG: 1344200 52.1375 29.2873 -51.3203 29.2873 -23.2373 -7.54682 -51.3203 -7.54672 10.559 GPRESSAVG: 1344200 51.6472 29.9115 -51.2732 28.6361 -24.2457 -7.88043 -50.673 -6.67456 11.5443 TIMING: 1344200 CPU: 4248.35, 0.00314292/step Wall: 4248.35, 0.00314292/step, 3.19163 hours remaining, 233.593750 MB of memory in use. ENERGY: 1344200 3946.1607 20333.8554 14551.2847 249.3563 -203400.2090 2759.9230 0.0000 0.0000 52281.7726 -109277.8563 300.4641 -161559.6289 -108932.5848 298.9033 224.7186 255.8808 761561.4368 13.1531 12.9819 LDB: ============= START OF LOAD BALANCING ============== 4260.88 LDB: ============== END OF LOAD BALANCING =============== 4260.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4260.89 LDB: ============= START OF LOAD BALANCING ============== 4261.2 LDB: Largest compute 7041 load 0.029986 is 15.3% of average load 0.195418 LDB: Average compute 0.004391 is 2.2% of average load 0.195418 LDB: TIME 4261.21 LOAD: AVG 0.195418 MAX 0.21675 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.414 MB LDB: TIME 4261.21 LOAD: AVG 0.195418 MAX 0.21675 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.508 MB LDB: TIME 4261.21 LOAD: AVG 0.195418 MAX 0.21675 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.508 MB LDB: ============== END OF LOAD BALANCING =============== 4261.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4261.21 PRESSURE: 1344400 193.738 43.0714 -30.618 43.0722 156.351 -63.9357 -30.6174 -63.9357 658.1 GPRESSURE: 1344400 339.11 56.8999 -39.7502 102.562 194.399 1.65908 -16.6647 -86.3341 561.924 PRESSAVG: 1344400 38.9613 -20.0839 -35.263 -20.0839 18.4692 13.607 -35.263 13.607 -12.0602 GPRESSAVG: 1344400 38.6327 -22.4468 -35.1719 -18.5408 19.3447 13.5784 -37.7274 13.8629 -12.7558 TIMING: 1344400 CPU: 4249, 0.00324337/step Wall: 4249, 0.00324337/step, 3.29346 hours remaining, 232.878906 MB of memory in use. ENERGY: 1344400 3936.6286 20387.2475 14680.2097 230.4240 -203426.2069 2853.7154 0.0000 0.0000 52123.6667 -109214.3151 299.5554 -161337.9818 -108843.6586 298.7332 336.0631 365.1444 761219.1270 15.1234 15.0739 PRESSURE: 1344600 -93.4853 -98.987 141.828 -98.9866 541.339 54.1968 141.828 54.1971 -42.4089 GPRESSURE: 1344600 -50.7178 -185.863 92.7762 -242.298 520.26 119.676 66.9056 86.9783 -4.11884 PRESSAVG: 1344600 0.549065 -0.314499 11.8772 -0.314489 -42.0509 29.2923 11.8771 29.2924 22.1416 GPRESSAVG: 1344600 -0.0685451 -0.100953 12.839 -2.62428 -42.1819 28.9438 12.9167 28.8347 23.1519 TIMING: 1344600 CPU: 4249.63, 0.00314929/step Wall: 4249.63, 0.00314929/step, 3.19775 hours remaining, 232.878906 MB of memory in use. ENERGY: 1344600 3954.6598 20424.6084 14529.4930 254.4070 -203204.6096 2862.4537 0.0000 0.0000 51842.4147 -109336.5729 297.9391 -161178.9876 -108967.8679 298.9858 135.1481 155.1411 763035.2440 -6.4534 -6.3662 PRESSURE: 1344800 98.9063 246.694 68.8067 246.694 -172.391 126.513 68.8064 126.513 476.507 GPRESSURE: 1344800 59.6972 193.66 80.4224 382.542 -99.7675 155.527 39.7509 186.284 544.229 PRESSAVG: 1344800 -2.20777 -14.9434 -24.3412 -14.9433 9.38197 44.2804 -24.3412 44.2804 -2.21148 GPRESSAVG: 1344800 -1.68032 -15.3867 -24.0399 -12.7065 9.87635 43.376 -25.9414 45.8869 -3.22411 TIMING: 1344800 CPU: 4250.26, 0.00315048/step Wall: 4250.26, 0.00315048/step, 3.19879 hours remaining, 232.878906 MB of memory in use. ENERGY: 1344800 3993.8068 20446.2660 14611.2852 268.9424 -203197.4666 2653.4485 0.0000 0.0000 51906.6453 -109317.0725 298.3082 -161223.7177 -108955.5540 299.1378 134.3407 168.0529 763616.3539 1.6542 1.6573 PRESSURE: 1345000 -1.21165 -121.565 78.1546 -121.565 104.131 -37.9845 78.1534 -37.985 298.471 GPRESSURE: 1345000 78.7281 -103.099 2.33098 -123.609 109.68 -107.247 121.46 89.9556 304.653 PRESSAVG: 1345000 4.84713 28.243 -45.9418 28.243 -13.7542 3.54895 -45.9418 3.54898 15.6956 GPRESSAVG: 1345000 4.90346 29.9407 -46.8209 25.7447 -14.0845 4.08268 -44.2963 3.88008 15.3489 TIMING: 1345000 CPU: 4250.89, 0.00314889/step Wall: 4250.89, 0.00314889/step, 3.197 hours remaining, 232.878906 MB of memory in use. ENERGY: 1345000 4024.5372 20407.0798 14432.9399 225.7534 -203270.0214 2731.3743 0.0000 0.0000 52054.6311 -109393.7057 299.1587 -161448.3369 -109028.1083 299.0768 133.7967 164.3536 762349.8052 2.2628 2.0560 PRESSURE: 1345200 -75.8703 -294.613 -52.1356 -294.614 -244.66 -38.8981 -52.1352 -38.8978 -137.258 GPRESSURE: 1345200 -46.1462 -253.33 -104.573 -260.489 -239.873 -36.0416 -18.5028 -136.343 -80.0828 PRESSAVG: 1345200 -35.695 -42.3523 -10.7667 -42.3524 -6.19731 -35.0802 -10.7666 -35.0802 -0.059621 GPRESSAVG: 1345200 -35.8769 -42.835 -10.9671 -40.7195 -6.96263 -33.6943 -9.68663 -37.4867 0.987196 TIMING: 1345200 CPU: 4251.52, 0.00314395/step Wall: 4251.52, 0.00314395/step, 3.1918 hours remaining, 232.878906 MB of memory in use. ENERGY: 1345200 4037.5592 20425.2748 14477.5816 240.7231 -203122.8405 2598.2409 0.0000 0.0000 52022.0098 -109321.4511 298.9712 -161343.4609 -108944.8590 299.4001 -152.5962 -122.0340 761616.9868 -13.9840 -13.9508 PRESSURE: 1345400 231.422 -192.359 -113.874 -192.36 58.9762 53.4147 -113.873 53.4143 22.2664 GPRESSURE: 1345400 244.867 -195.73 -70.9673 -59.7507 166.986 8.24684 -85.4111 114.993 -9.62622 PRESSAVG: 1345400 48.5247 -73.477 -1.08112 -73.477 -25.331 33.033 -1.08108 33.033 21.7317 GPRESSAVG: 1345400 49.707 -71.7285 -1.35753 -73.0447 -25.3058 31.7161 -2.22337 34.3783 19.906 TIMING: 1345400 CPU: 4252.15, 0.00315185/step Wall: 4252.15, 0.00315185/step, 3.19965 hours remaining, 232.878906 MB of memory in use. ENERGY: 1345400 3999.4884 20579.7182 14593.8081 250.6850 -203922.7504 2972.4155 0.0000 0.0000 52229.8554 -109296.7798 300.1657 -161526.6353 -108950.5982 299.0698 104.2216 134.0756 759929.8438 14.9752 14.7691 PRESSURE: 1345600 92.9161 13.5504 59.7733 13.5503 127.5 -45.1608 59.7729 -45.16 223.718 GPRESSURE: 1345600 57.9834 66.3123 33.7211 57.3828 205.486 -43.1649 -1.41405 -80.7673 277.238 PRESSAVG: 1345600 -29.8921 -24.1896 73.2082 -24.1895 26.7216 -9.36045 73.2082 -9.36041 5.37716 GPRESSAVG: 1345600 -30.6681 -25.2805 74.2831 -23.4251 27.1161 -7.45435 73.8232 -8.02515 5.6192 TIMING: 1345600 CPU: 4252.78, 0.00316546/step Wall: 4252.78, 0.00316546/step, 3.2133 hours remaining, 232.878906 MB of memory in use. ENERGY: 1345600 3969.0433 20453.7416 14568.8159 234.1722 -203343.3959 2898.6049 0.0000 0.0000 51849.9410 -109369.0769 297.9823 -161219.0180 -109011.7985 299.2937 148.0444 180.2359 760875.0786 0.7356 0.6891 PRESSURE: 1345800 -48.509 -93.1259 263.241 -93.1265 449.485 5.23469 263.241 5.23468 -54.2459 GPRESSURE: 1345800 9.18129 -99.6482 192.901 -33.5112 410.518 13.8152 233.212 -64.689 7.94969 PRESSAVG: 1345800 -26.6154 0.848931 -11.8882 0.848948 58.8687 34.4227 -11.8882 34.4227 9.92119 GPRESSAVG: 1345800 -27.9725 1.36678 -12.2596 -1.22271 59.7543 34.4747 -13.345 33.7285 10.0084 TIMING: 1345800 CPU: 4253.41, 0.00316664/step Wall: 4253.41, 0.00316664/step, 3.21431 hours remaining, 232.878906 MB of memory in use. ENERGY: 1345800 3980.8491 20530.7084 14399.9752 252.1996 -203617.0134 2941.4531 0.0000 0.0000 52181.8809 -109329.9472 299.8900 -161511.8281 -108963.1865 299.3890 115.5768 142.5497 761961.0536 14.0582 13.9301 PRESSURE: 1346000 -66.2005 146.689 -91.1085 146.689 -116.947 -73.0691 -91.1089 -73.0686 -416.628 GPRESSURE: 1346000 -49.9902 132.929 -40.1411 108.139 -98.6608 -49.2576 -174.1 -83.1038 -369.361 PRESSAVG: 1346000 -29.4339 10.7991 -0.328903 10.7991 54.9208 -0.912099 -0.328888 -0.912055 -13.9965 GPRESSAVG: 1346000 -28.4549 10.6383 -1.59147 12.9293 53.3509 -2.20804 -1.91035 -1.47045 -13.4867 TIMING: 1346000 CPU: 4254.04, 0.00314709/step Wall: 4254.04, 0.00314709/step, 3.19429 hours remaining, 232.878906 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: 1346000 4008.2697 20445.5695 14538.5750 238.1038 -203017.3964 2299.4979 0.0000 0.0000 51978.2831 -109509.0974 298.7199 -161487.3805 -109158.2855 298.9319 -199.9250 -172.6707 761440.1954 3.8302 3.8031 PRESSURE: 1346200 208.237 9.86076 14.8865 9.8607 225.238 -117.21 14.8859 -117.21 224.122 GPRESSURE: 1346200 213.992 -61.7322 18.8578 12.4885 228.103 -162.944 -9.94651 -17.9598 303.433 PRESSAVG: 1346200 24.6268 18.5953 19.4651 18.5952 9.56782 8.70337 19.4651 8.70333 20.3261 GPRESSAVG: 1346200 24.4124 18.2251 20.4765 16.5514 9.9858 9.10301 23.1909 7.72742 20.5751 TIMING: 1346200 CPU: 4254.67, 0.00314825/step Wall: 4254.67, 0.00314825/step, 3.1953 hours remaining, 232.878906 MB of memory in use. ENERGY: 1346200 3910.0680 20505.8243 14552.9793 247.9777 -203474.3600 2787.7710 0.0000 0.0000 52153.4061 -109316.3336 299.7263 -161469.7397 -108942.9336 299.1979 219.1993 248.5094 760882.0460 18.1736 18.3244 PRESSURE: 1346400 128.459 58.1999 39.8956 58.2004 59.5466 144.657 39.8951 144.656 -189.139 GPRESSURE: 1346400 159.638 -20.6076 18.7557 186.812 157.503 124.961 109.71 102.973 -250.343 PRESSAVG: 1346400 27.8997 -25.227 22.1308 -25.227 -6.48549 -18.5212 22.1308 -18.5212 4.53145 GPRESSAVG: 1346400 27.8621 -26.4648 23.8437 -23.9409 -5.5436 -20.5401 20.2081 -18.0772 3.30535 TIMING: 1346400 CPU: 4255.3, 0.00315436/step Wall: 4255.3, 0.00315436/step, 3.20132 hours remaining, 232.878906 MB of memory in use. ENERGY: 1346400 3994.0084 20536.5621 14589.2753 231.0782 -203622.0871 2606.7649 0.0000 0.0000 52037.8327 -109626.5655 299.0621 -161664.3982 -109266.0072 299.0308 -0.3779 22.2658 758978.9801 8.6485 8.5413 PRESSURE: 1346600 -133.047 -158.786 162.724 -158.787 -424.746 87.8096 162.723 87.8085 51.031 GPRESSURE: 1346600 -52.8833 -131.475 98.4718 -143.926 -340.938 73.5659 140.914 157.674 -15.9183 PRESSAVG: 1346600 -5.85286 0.844366 -10.2067 0.84442 -33.5905 -43.3607 -10.2067 -43.3606 -5.41286 GPRESSAVG: 1346600 -5.23586 4.39122 -11.9213 -0.231196 -33.9328 -42.0571 -10.6192 -42.3709 -5.81765 TIMING: 1346600 CPU: 4255.93, 0.00314909/step Wall: 4255.93, 0.00314909/step, 3.1958 hours remaining, 232.878906 MB of memory in use. ENERGY: 1346600 3986.2348 20437.2085 14479.3312 255.6363 -203441.5862 2703.3770 0.0000 0.0000 52090.0686 -109489.7297 299.3623 -161579.7983 -109122.4860 298.9813 -168.9209 -136.5799 761382.2124 -14.9521 -14.9954 PRESSURE: 1346800 294.492 -94.4105 -71.0858 -94.411 -161.412 46.0893 -71.0854 46.0879 71.8049 GPRESSURE: 1346800 304.169 -188.624 -94.6592 -189.919 -46.5374 159.833 -161.369 33.1037 51.8268 PRESSAVG: 1346800 12.624 -40.2096 -0.880507 -40.2097 13.8781 -41.0914 -0.880505 -41.0914 12.2815 GPRESSAVG: 1346800 11.6209 -41.7716 -2.19181 -40.2898 14.4098 -40.0108 -1.06835 -41.9884 12.7451 TIMING: 1346800 CPU: 4256.56, 0.00314961/step Wall: 4256.56, 0.00314961/step, 3.19615 hours remaining, 232.878906 MB of memory in use. ENERGY: 1346800 3951.3249 20678.3355 14509.3640 230.8876 -203871.6376 2966.2347 0.0000 0.0000 52128.3663 -109407.1245 299.5824 -161535.4908 -109049.1301 299.4283 68.2948 103.1528 761839.6072 12.9279 12.9252 PRESSURE: 1347000 -7.9781 -166.029 -84.6021 -166.029 101.785 -312.193 -84.6028 -312.193 543.638 GPRESSURE: 1347000 51.4492 -121.228 -64.9522 -14.0626 194.677 -297.106 -178.317 -237.243 475.192 PRESSAVG: 1347000 21.5624 -52.3404 24.9834 -52.3403 18.9122 10.3748 24.9834 10.3749 7.27089 GPRESSAVG: 1347000 21.9496 -53.8564 27.2909 -51.1021 19.0823 9.70987 24.2604 12.7671 6.55288 TIMING: 1347000 CPU: 4257.19, 0.00315295/step Wall: 4257.19, 0.00315295/step, 3.19937 hours remaining, 232.878906 MB of memory in use. ENERGY: 1347000 4037.4382 20541.3891 14520.6740 279.5511 -203754.9295 3051.6430 0.0000 0.0000 52049.7083 -109274.5258 299.1304 -161324.2342 -108915.4096 299.2931 212.4817 240.4395 761367.3474 15.9152 15.8616 PRESSURE: 1347200 176.754 -140.458 -161.683 -140.458 -99.5542 66.0617 -161.683 66.0612 -131.28 GPRESSURE: 1347200 215.223 -224.462 -51.6002 -199.094 -61.7239 64.2086 -4.9309 -136.189 -144.549 PRESSAVG: 1347200 56.7701 -33.2569 29.5178 -33.257 -68.2339 -6.29503 29.5178 -6.29504 -15.9963 GPRESSAVG: 1347200 56.5269 -34.3637 28.5205 -33.0932 -69.1572 -4.85021 32.7568 -9.69094 -14.8095 TIMING: 1347200 CPU: 4257.83, 0.00316745/step Wall: 4257.83, 0.00316745/step, 3.21391 hours remaining, 232.878906 MB of memory in use. ENERGY: 1347200 3989.4503 20743.5912 14515.2053 239.2764 -203474.6047 2748.6486 0.0000 0.0000 51853.6816 -109384.7512 298.0038 -161238.4328 -109020.5001 299.4248 -18.0266 2.9834 762072.7155 -9.1533 -9.1466 PRESSURE: 1347400 11.0701 -124.978 191.595 -124.979 -216.461 -22.0709 191.595 -22.0708 -212.717 GPRESSURE: 1347400 62.1519 -149.845 140.543 -137.605 -182.247 -53.9119 275.63 224.603 -212.61 PRESSAVG: 1347400 9.76667 -43.7924 25.1649 -43.7924 8.20726 -14.6998 25.1649 -14.6999 11.2846 GPRESSAVG: 1347400 9.93082 -43.7124 25.4897 -43.4315 8.36016 -15.4164 25.7452 -13.2619 10.686 TIMING: 1347400 CPU: 4258.46, 0.00315986/step Wall: 4258.46, 0.00315986/step, 3.20603 hours remaining, 232.878906 MB of memory in use. ENERGY: 1347400 4088.8823 20461.0576 14459.1412 238.6378 -203508.4145 2728.5917 0.0000 0.0000 51957.0808 -109575.0232 298.5981 -161532.1040 -109214.7305 299.0037 -139.3691 -110.9019 761319.4478 9.7529 9.6590 PRESSURE: 1347600 175.701 -69.8529 53.3221 -69.8531 69.7559 297.752 53.3212 297.752 214.645 GPRESSURE: 1347600 191.857 -128.661 68.0171 55.4106 196.44 338.388 -15.7417 293.54 170.991 PRESSAVG: 1347600 32.4429 -8.52035 27.6854 -8.52035 36.3668 30.4778 27.6854 30.4778 -0.503628 GPRESSAVG: 1347600 33.5179 -8.70547 26.8608 -8.93535 35.935 29.5265 23.0643 32.5749 -1.31805 TIMING: 1347600 CPU: 4259.09, 0.00313523/step Wall: 4259.09, 0.00313523/step, 3.18087 hours remaining, 232.878906 MB of memory in use. ENERGY: 1347600 3951.5501 20352.9548 14541.7951 230.2643 -203812.9773 2800.1517 0.0000 0.0000 52326.2412 -109610.0201 300.7196 -161936.2613 -109237.0214 298.5881 153.3671 186.4294 759472.3109 22.7687 22.7116 PRESSURE: 1347800 -183.938 -2.45191 181.053 -2.45108 -78.0769 153.859 181.052 153.858 -149.668 GPRESSURE: 1347800 -132.709 92.9791 215.281 49.3744 -58.1088 108.146 96.8253 -4.19475 -121.711 PRESSAVG: 1347800 65.1154 -12.7212 -14.2313 -12.7211 -14.488 -16.8475 -14.2313 -16.8476 2.42868 GPRESSAVG: 1347800 65.3421 -9.82474 -13.2481 -12.7075 -13.9323 -14.9777 -11.5855 -18.8916 2.06745 TIMING: 1347800 CPU: 4259.72, 0.00316272/step Wall: 4259.72, 0.00316272/step, 3.20858 hours remaining, 232.878906 MB of memory in use. ENERGY: 1347800 4024.9584 20477.3429 14517.1704 239.5227 -203451.3764 2665.3189 0.0000 0.0000 51965.9079 -109561.1551 298.6488 -161527.0630 -109196.0900 299.0663 -137.2274 -104.1761 762504.3415 17.6854 17.8258 PRESSURE: 1348000 182.214 49.2051 -118.43 49.2052 -188.979 -24.1841 -118.431 -24.1849 -12.9974 GPRESSURE: 1348000 210.88 -41.6858 -86.1083 -46.5124 -130.825 15.7041 -157.076 76.8885 -18.7464 PRESSAVG: 1348000 -15.0839 51.0298 -6.43698 51.0298 11.3814 3.82016 -6.43702 3.82016 -7.34622 GPRESSAVG: 1348000 -15.6106 48.2849 -6.56115 51.8647 10.1952 4.41637 -7.11597 4.57362 -6.00218 TIMING: 1348000 CPU: 4260.36, 0.00318236/step Wall: 4260.36, 0.00318236/step, 3.22832 hours remaining, 232.878906 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: 1348000 3963.7721 20366.8971 14523.6605 240.3149 -203563.4524 2816.5613 0.0000 0.0000 52031.0603 -109621.1862 299.0232 -161652.2465 -109249.4513 298.7872 -6.5874 20.4361 761806.6543 -3.6829 -3.8058 PRESSURE: 1348200 201.319 -100.31 -137.791 -100.31 -141.481 -183.075 -137.791 -183.074 54.9956 GPRESSURE: 1348200 209.191 -55.0993 -146.417 -203.931 -107.166 -289.95 -109.016 -150.751 108.054 PRESSAVG: 1348200 4.8153 -22.1797 -33.3846 -22.1797 40.1063 24.5225 -33.3846 24.5225 28.7654 GPRESSAVG: 1348200 4.0655 -21.1077 -33.2225 -25.0395 41.626 22.2913 -34.0718 22.8541 28.4463 TIMING: 1348200 CPU: 4260.98, 0.00313835/step Wall: 4260.98, 0.00313835/step, 3.18351 hours remaining, 232.878906 MB of memory in use. ENERGY: 1348200 3918.1134 20468.7225 14444.9842 241.7324 -203686.1199 2775.4583 0.0000 0.0000 52124.2060 -109712.9030 299.5585 -161837.1090 -109348.1035 298.8861 38.2780 70.0262 759242.1857 24.5623 24.7126 LDB: ============= START OF LOAD BALANCING ============== 4273.52 LDB: ============== END OF LOAD BALANCING =============== 4273.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4273.52 LDB: ============= START OF LOAD BALANCING ============== 4273.83 LDB: Largest compute 7069 load 0.030602 is 15.7% of average load 0.195445 LDB: Average compute 0.004398 is 2.3% of average load 0.195445 LDB: TIME 4273.84 LOAD: AVG 0.195445 MAX 0.214959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.703 MB LDB: TIME 4273.84 LOAD: AVG 0.195445 MAX 0.214959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: TIME 4273.84 LOAD: AVG 0.195445 MAX 0.214959 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: ============== END OF LOAD BALANCING =============== 4273.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4273.84 PRESSURE: 1348400 -8.94681 6.26185 -59.2483 6.26177 -131.697 227.49 -59.249 227.491 94.6091 GPRESSURE: 1348400 26.2907 -39.998 -60.123 30.6563 -105.178 262.043 -120.653 125.804 112.118 PRESSAVG: 1348400 -58.4531 -22.8013 7.35711 -22.8013 30.2773 33.6604 7.35708 33.6604 -2.95686 GPRESSAVG: 1348400 -59.1006 -23.1197 7.38861 -22.5641 30.9774 33.8848 7.93199 31.8072 -3.441 TIMING: 1348400 CPU: 4261.63, 0.00321352/step Wall: 4261.63, 0.00321352/step, 3.25958 hours remaining, 234.160156 MB of memory in use. ENERGY: 1348400 3925.5929 20517.7206 14491.1490 237.0595 -203356.8366 2536.0635 0.0000 0.0000 51815.2606 -109833.9905 297.7830 -161649.2510 -109472.8237 298.7914 -15.3450 11.0769 761271.6694 -10.3775 -10.5214 PRESSURE: 1348600 -148.392 -238.908 -22.7181 -238.907 -52.124 38.2559 -22.7179 38.257 71.2254 GPRESSURE: 1348600 -120.806 -94.7912 103.499 -191.403 -34.2682 79.932 14.7715 108.955 141.789 PRESSAVG: 1348600 18.69 -16.9186 28.1742 -16.9187 8.26484 9.1663 28.1743 9.16628 -8.64713 GPRESSAVG: 1348600 20.0223 -15.9947 26.6843 -15.9037 6.76676 8.45864 29.3436 10.7475 -8.24496 TIMING: 1348600 CPU: 4262.26, 0.00314856/step Wall: 4262.26, 0.00314856/step, 3.19351 hours remaining, 234.160156 MB of memory in use. ENERGY: 1348600 3925.9142 20485.7501 14450.9252 230.7746 -203435.4774 2464.8986 0.0000 0.0000 52033.9464 -109843.2684 299.0398 -161877.2148 -109491.1434 297.9572 -43.0970 -4.4285 762332.8480 6.1026 6.1814 PRESSURE: 1348800 -92.478 8.60091 -40.0178 8.59957 -348.16 221.115 -40.0172 221.115 -349.905 GPRESSURE: 1348800 -50.0385 -64.5282 4.75182 -48.008 -340.294 228.608 69.7822 193.146 -307.327 PRESSAVG: 1348800 -9.09901 -100.293 -72.5602 -100.293 6.86241 15.6809 -72.5601 15.6809 18.9239 GPRESSAVG: 1348800 -8.86151 -100.457 -71.4112 -100.471 8.47725 16.358 -71.4167 16.52 17.368 TIMING: 1348800 CPU: 4262.89, 0.0031652/step Wall: 4262.89, 0.0031652/step, 3.21021 hours remaining, 234.160156 MB of memory in use. ENERGY: 1348800 3949.4334 20280.5147 14557.4562 237.6462 -203551.4772 2696.6737 0.0000 0.0000 51862.8188 -109966.9341 298.0563 -161829.7529 -109595.7910 297.8699 -263.5142 -232.5533 761623.4640 5.5624 5.6612 PRESSURE: 1349000 239.948 -71.1623 56.6933 -71.1615 28.2026 79.6904 56.6936 79.6907 -217.23 GPRESSURE: 1349000 236.43 -22.872 70.5453 -222.335 20.5261 65.0412 52.698 17.5566 -121.379 PRESSAVG: 1349000 6.20511 -24.2415 -44.5434 -24.2415 -18.9441 44.4696 -44.5434 44.4696 17.8705 GPRESSAVG: 1349000 6.80285 -24.3859 -45.0626 -24.7743 -19.6066 43.7745 -45.2712 43.1095 18.5778 TIMING: 1349000 CPU: 4263.52, 0.00316341/step Wall: 4263.52, 0.00316341/step, 3.20823 hours remaining, 234.160156 MB of memory in use. ENERGY: 1349000 3921.4975 20387.6672 14542.9036 251.4198 -203360.4435 2632.1206 0.0000 0.0000 51951.0841 -109673.7507 298.5636 -161624.8349 -109306.0424 298.9702 16.9733 45.1926 761925.7046 1.7105 1.9247 PRESSURE: 1349200 77.5255 18.1004 38.0856 18.1 -72.1624 -163.47 38.0857 -163.471 -49.0036 GPRESSURE: 1349200 20.3572 20.0322 16.7366 190.279 44.6981 -122.403 -23.9631 7.34258 -19.9532 PRESSAVG: 1349200 3.55158 -3.11864 -3.09565 -3.1186 37.1301 3.08327 -3.0956 3.08331 -21.9541 GPRESSAVG: 1349200 2.56704 -2.58501 -2.58929 -3.92125 37.0085 4.62631 -4.3459 3.56667 -20.5735 TIMING: 1349200 CPU: 4264.16, 0.00317544/step Wall: 4264.16, 0.00317544/step, 3.22025 hours remaining, 234.160156 MB of memory in use. ENERGY: 1349200 3919.8279 20539.4730 14486.9230 257.1194 -203616.2013 2753.4321 0.0000 0.0000 51869.1843 -109790.2416 298.0929 -161659.4259 -109428.3916 298.9419 -14.5468 15.0340 762306.3111 6.2425 6.3340 PRESSURE: 1349400 -165.64 -191.897 -81.0695 -191.896 182.485 152.793 -81.0697 152.793 -376.988 GPRESSURE: 1349400 -213.601 -149.606 -64.2766 -304.919 260.521 205.14 -131.85 231.071 -317.827 PRESSAVG: 1349400 -33.4525 -43.8168 -46.6921 -43.8168 23.5539 4.45729 -46.6922 4.45738 -0.832138 GPRESSAVG: 1349400 -33.1051 -43.5313 -46.7537 -43.5712 22.7684 4.08805 -45.0831 5.82311 -0.230507 TIMING: 1349400 CPU: 4264.79, 0.00315475/step Wall: 4264.79, 0.00315475/step, 3.19909 hours remaining, 234.160156 MB of memory in use. ENERGY: 1349400 4046.5004 20363.6429 14507.1865 256.4180 -203175.0286 2522.4026 0.0000 0.0000 52134.8726 -109344.0055 299.6198 -161478.8781 -108983.3413 298.6837 -120.0479 -90.3022 761669.5542 -3.5769 -3.5224 PRESSURE: 1349600 189.913 -82.9589 -24.1603 -82.9596 17.7722 -284.988 -24.1604 -284.987 -85.2269 GPRESSURE: 1349600 191.803 -138.621 42.3507 -94.2573 1.0618 -268.825 -98.0341 -291.186 -1.76462 PRESSAVG: 1349600 -3.48896 -50.8101 -35.8244 -50.8101 -30.9141 -43.8236 -35.8244 -43.8236 -24.4471 GPRESSAVG: 1349600 -3.95406 -50.4141 -36.9129 -50.613 -30.5811 -44.3745 -36.5356 -46.0967 -24.629 TIMING: 1349600 CPU: 4265.42, 0.0031596/step Wall: 4265.42, 0.0031596/step, 3.20383 hours remaining, 234.160156 MB of memory in use. ENERGY: 1349600 4038.9218 20423.9723 14524.0774 256.5535 -203284.5181 2529.0311 0.0000 0.0000 52105.4892 -109406.4728 299.4510 -161511.9620 -109049.4386 298.7037 40.8194 63.7001 760948.5473 -19.6167 -19.7214 PRESSURE: 1349800 -51.1574 129.401 -111.842 129.401 -98.6608 186.079 -111.842 186.079 -350.461 GPRESSURE: 1349800 127.196 98.5196 -129.32 39.3182 -174.668 83.2216 -194.06 82.5234 -357.945 PRESSAVG: 1349800 8.1256 12.5126 -17.3917 12.5126 -11.1194 -32.4344 -17.3917 -32.4344 25.0181 GPRESSAVG: 1349800 7.84087 10.3557 -16.3994 12.5457 -11.0366 -34.391 -17.986 -30.1575 24.9826 TIMING: 1349800 CPU: 4266.06, 0.00319708/step Wall: 4266.06, 0.00319708/step, 3.24166 hours remaining, 234.160156 MB of memory in use. ENERGY: 1349800 3942.2874 20489.0185 14504.0379 257.3667 -203018.6533 2599.6664 0.0000 0.0000 52058.2322 -109168.0442 299.1794 -161226.2764 -108806.8215 299.1044 -166.7597 -135.1388 763046.5740 7.3414 7.2623 PRESSURE: 1350000 70.5443 53.1762 -151.352 53.1765 -108.601 0.335936 -151.352 0.334343 331.472 GPRESSURE: 1350000 85.9271 55.307 -123.644 -77.9287 6.60477 -41.9822 -130.465 17.6502 295.033 PRESSAVG: 1350000 1.88657 13.4588 -54.3473 13.4588 0.332705 -11.1995 -54.3473 -11.1995 10.9069 GPRESSAVG: 1350000 2.05709 14.0439 -53.7609 14.1615 1.92727 -9.3731 -54.495 -13.1276 9.77888 TIMING: 1350000 CPU: 4266.7, 0.00318335/step Wall: 4266.7, 0.00318335/step, 3.22756 hours remaining, 234.160156 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: 1350000 3959.2212 20605.3547 14506.9643 238.4886 -203669.7698 2971.6690 0.0000 0.0000 52101.6364 -109286.4357 299.4288 -161388.0722 -108925.7275 299.7721 97.8053 129.1882 761594.1325 4.3754 4.5877 PRESSURE: 1350200 34.4 -194.319 47.6322 -194.319 92.3166 -106.728 47.6319 -106.728 186.681 GPRESSURE: 1350200 52.3039 -153.961 134.866 -224.16 211.005 -135.205 114.981 -172.735 136.762 PRESSAVG: 1350200 36.2085 -8.10429 13.4331 -8.10433 -7.27778 -15.4469 13.433 -15.4469 11.7682 GPRESSAVG: 1350200 36.1731 -7.19916 13.1265 -7.55375 -8.64469 -15.1068 15.3556 -15.3566 13.2905 TIMING: 1350200 CPU: 4267.33, 0.00316877/step Wall: 4267.33, 0.00316877/step, 3.2126 hours remaining, 234.160156 MB of memory in use. ENERGY: 1350200 3993.8432 20635.5678 14544.3716 247.4773 -203462.4468 2797.9300 0.0000 0.0000 52260.2442 -108983.0125 300.3403 -161243.2567 -108618.0579 299.7136 104.4658 133.3568 762990.0182 13.5663 13.6063 PRESSURE: 1350400 11.793 325.892 53.8621 325.893 25.6476 -160.084 53.8617 -160.085 50.8693 GPRESSURE: 1350400 112.448 320.609 95.5427 302.825 26.6244 -25.8658 25.1679 -226.807 41.2412 PRESSAVG: 1350400 48.2549 -23.3623 24.7678 -23.3623 -32.9698 -2.01919 24.7677 -2.01925 13.7845 GPRESSAVG: 1350400 49.5259 -24.7468 25.1995 -23.2464 -32.7937 -2.27657 24.633 -0.498635 13.0485 TIMING: 1350400 CPU: 4267.96, 0.00316255/step Wall: 4267.96, 0.00316255/step, 3.20612 hours remaining, 234.160156 MB of memory in use. ENERGY: 1350400 4029.0830 20599.3023 14503.9068 256.7535 -203275.5051 2703.2278 0.0000 0.0000 52125.4591 -109057.7727 299.5657 -161183.2318 -108696.1836 299.9571 29.4366 60.1046 763270.1342 9.6898 9.9269 PRESSURE: 1350600 85.0449 43.2517 104.982 43.251 478.427 -5.21987 104.982 -5.21968 214.753 GPRESSURE: 1350600 91.9915 -34.6565 153.646 -19.8308 522.671 -30.827 22.0807 -13.1408 238.883 PRESSAVG: 1350600 2.76608 47.8002 8.47997 47.8002 14.169 25.4224 8.47998 25.4223 9.38092 GPRESSAVG: 1350600 1.56811 49.0321 8.17002 46.7175 15.2615 27.1309 7.26847 23.0549 9.82643 TIMING: 1350600 CPU: 4268.6, 0.00318449/step Wall: 4268.6, 0.00318449/step, 3.22818 hours remaining, 234.160156 MB of memory in use. ENERGY: 1350600 4033.9648 20534.0903 14512.7923 255.6554 -203751.7375 2955.2205 0.0000 0.0000 52214.9316 -109245.0827 300.0799 -161460.0142 -108873.5201 299.6005 259.4082 284.5151 762270.5428 8.7720 8.8853 PRESSURE: 1350800 -7.75342 61.6274 -3.29032 61.6276 -308.798 -97.8683 -3.2902 -97.8678 -119.195 GPRESSURE: 1350800 28.088 79.744 -0.141993 44.5965 -240.238 -96.9971 109.837 -61.1238 -130.476 PRESSAVG: 1350800 -14.0776 20.6647 3.30268 20.6646 25.9856 30.6509 3.30264 30.651 6.90728 GPRESSAVG: 1350800 -11.8727 20.9616 1.52528 23.0295 24.7714 29.5881 4.84687 31.8334 5.95321 TIMING: 1350800 CPU: 4269.23, 0.00317638/step Wall: 4269.23, 0.00317638/step, 3.21979 hours remaining, 234.160156 MB of memory in use. ENERGY: 1350800 3998.7888 20494.7795 14374.4145 253.9961 -203332.3284 2701.4806 0.0000 0.0000 52160.4191 -109348.4499 299.7666 -161508.8690 -108981.0273 299.0836 -145.2490 -114.2086 762309.4764 6.2717 6.2840 PRESSURE: 1351000 -161.007 -123.802 24.7066 -123.802 -182.824 117.853 24.7063 117.853 207.2 GPRESSURE: 1351000 -127.855 -136.54 -14.1294 -42.2459 -138.017 79.6323 138.909 138.781 215.496 PRESSAVG: 1351000 -34.2262 5.86482 -38.0042 5.86474 17.1305 17.0321 -38.0041 17.032 -2.48797 GPRESSAVG: 1351000 -35.0756 6.83405 -36.5466 4.17759 17.2162 17.1342 -38.6602 15.3141 -1.73766 TIMING: 1351000 CPU: 4269.87, 0.00317142/step Wall: 4269.87, 0.00317142/step, 3.21459 hours remaining, 234.160156 MB of memory in use. ENERGY: 1351000 3975.6612 20437.0627 14451.4872 249.7781 -203030.7532 2603.8733 0.0000 0.0000 51975.4820 -109337.4087 298.7038 -161312.8907 -108965.6599 299.1226 -45.5438 -16.7920 762791.5107 -6.5279 -6.5324 PRESSURE: 1351200 -119.778 14.2795 -195.025 14.2785 -124.944 209 -195.025 209 -255.241 GPRESSURE: 1351200 -18.7374 63.38 -278.236 5.28657 -84.9126 177.808 -84.9175 309.103 -296.724 PRESSAVG: 1351200 32.7681 -14.8654 -6.35098 -14.8654 -5.22497 43.9321 -6.35094 43.9321 -2.8221 GPRESSAVG: 1351200 32.6416 -16.6416 -5.8308 -15.704 -4.86167 43.2426 -7.18389 45.912 -3.01427 TIMING: 1351200 CPU: 4270.5, 0.00318209/step Wall: 4270.5, 0.00318209/step, 3.22523 hours remaining, 234.160156 MB of memory in use. ENERGY: 1351200 4011.6896 20446.2977 14565.6922 234.9188 -203240.9356 2593.1486 0.0000 0.0000 52047.7830 -109341.4058 299.1193 -161389.1888 -108970.6006 299.0233 -166.6541 -133.4579 761091.4595 8.2404 8.2552 PRESSURE: 1351400 133.458 -105.689 -36.8252 -105.689 21.4914 -94.7828 -36.8255 -94.7817 27.5743 GPRESSURE: 1351400 112.622 34.0475 -21.8252 -52.9405 83.8425 3.30818 -166.776 -164.39 54.7903 PRESSAVG: 1351400 -37.3406 -0.887185 -32.905 -0.887194 22.1476 33.8034 -32.905 33.8033 4.91521 GPRESSAVG: 1351400 -37.9851 -1.22209 -32.2027 0.6344 22.6951 32.2346 -34.7689 34.4852 5.29825 TIMING: 1351400 CPU: 4271.14, 0.0031763/step Wall: 4271.14, 0.0031763/step, 3.21918 hours remaining, 234.160156 MB of memory in use. ENERGY: 1351400 3983.7753 20590.6442 14499.4604 259.5371 -203229.0458 2632.0483 0.0000 0.0000 51868.7444 -109394.8361 298.0904 -161263.5804 -109029.0957 299.3273 60.8412 83.7515 762010.6252 -3.4260 -3.3306 PRESSURE: 1351600 146.945 144.993 72.125 144.994 280.138 -89.7436 72.1251 -89.7433 -262.278 GPRESSURE: 1351600 220.468 33.1083 117.418 167.165 231.513 -3.82867 52.1101 -50.4628 -188.065 PRESSAVG: 1351600 -3.05912 -23.293 -6.18117 -23.293 22.0762 -20.3243 -6.18114 -20.3243 -21.1626 GPRESSAVG: 1351600 -2.34412 -22.93 -8.42333 -23.3815 21.155 -17.3604 -3.01146 -20.8056 -21.6542 TIMING: 1351600 CPU: 4271.78, 0.00318708/step Wall: 4271.78, 0.00318708/step, 3.22993 hours remaining, 234.160156 MB of memory in use. ENERGY: 1351600 3981.7382 20532.5961 14440.6386 255.8159 -203573.5112 2884.2905 0.0000 0.0000 51943.5103 -109534.9216 298.5201 -161478.4319 -109169.6269 299.1064 54.9352 87.9719 761891.1499 -0.7152 -0.9478 PRESSURE: 1351800 -327.561 17.4619 90.7177 17.4625 -99.1817 195.139 90.7177 195.139 -14.8074 GPRESSURE: 1351800 -375.807 -23.8005 136.562 102.257 -18.6583 77.0504 153.644 50.3559 40.942 PRESSAVG: 1351800 -24.7946 1.70778 3.09757 1.70775 33.9016 -33.0507 3.09757 -33.0507 0.788441 GPRESSAVG: 1351800 -26.0731 3.82429 3.71775 0.0688847 33.1632 -34.3768 2.7486 -35.1011 2.32432 TIMING: 1351800 CPU: 4272.41, 0.00317802/step Wall: 4272.41, 0.00317802/step, 3.22057 hours remaining, 234.160156 MB of memory in use. ENERGY: 1351800 4012.2860 20488.0631 14433.0666 260.1551 -203538.6197 2824.0331 0.0000 0.0000 52033.8329 -109487.1827 299.0392 -161521.0156 -109125.3171 298.7392 -147.1833 -117.8410 761851.2456 3.2985 3.1381 PRESSURE: 1352000 -423.599 14.3188 64.7805 14.3195 -431.498 -241.71 64.7811 -241.71 -312.903 GPRESSURE: 1352000 -329.316 73.5983 79.2915 78.5829 -350.85 -197.611 115.254 -167.848 -419.951 PRESSAVG: 1352000 -58.0616 25.5173 -8.29769 25.5173 25.245 20.2751 -8.29765 20.2751 -17.5333 GPRESSAVG: 1352000 -58.7012 24.9054 -7.83724 26.6836 26.2692 18.9098 -7.489 22.2272 -18.5725 TIMING: 1352000 CPU: 4273.05, 0.0031728/step Wall: 4273.05, 0.0031728/step, 3.2151 hours remaining, 234.160156 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: 1352000 4043.6942 20404.8142 14529.5637 221.3525 -202936.9793 2445.3550 0.0000 0.0000 52020.9481 -109271.2515 298.9651 -161292.1996 -108908.8746 299.0986 -389.3333 -366.7054 762216.8508 -16.7833 -17.0015 PRESSURE: 1352200 18.2631 -80.7858 -78.1126 -80.7851 -263.355 -131.845 -78.1126 -131.844 147.928 GPRESSURE: 1352200 16.5786 28.715 -111.412 -164.244 -249.227 -138.558 -178.744 8.21122 212.021 PRESSAVG: 1352200 -15.2521 -33.2876 -29.5742 -33.2877 -43.721 42.3527 -29.5741 42.3526 -3.2386 GPRESSAVG: 1352200 -14.2964 -34.2068 -29.2287 -32.6744 -43.7002 44.3352 -31.5353 40.7141 -4.1431 TIMING: 1352200 CPU: 4273.68, 0.00316942/step Wall: 4273.68, 0.00316942/step, 3.2115 hours remaining, 234.160156 MB of memory in use. ENERGY: 1352200 3964.0496 20650.3671 14584.8809 261.1523 -203317.4046 2343.1044 0.0000 0.0000 52447.5225 -109066.3279 301.4166 -161513.8504 -108700.2973 299.7641 -32.3880 -6.8760 761071.8985 -20.7372 -20.7132 LDB: ============= START OF LOAD BALANCING ============== 4286.22 LDB: ============== END OF LOAD BALANCING =============== 4286.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4286.22 LDB: ============= START OF LOAD BALANCING ============== 4286.53 LDB: Largest compute 7041 load 0.029666 is 15.2% of average load 0.195452 LDB: Average compute 0.004387 is 2.2% of average load 0.195452 LDB: TIME 4286.54 LOAD: AVG 0.195452 MAX 0.21656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 231.855 MB LDB: TIME 4286.54 LOAD: AVG 0.195452 MAX 0.21656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.859 MB LDB: TIME 4286.54 LOAD: AVG 0.195452 MAX 0.21656 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 231.859 MB LDB: ============== END OF LOAD BALANCING =============== 4286.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4286.54 PRESSURE: 1352400 -168.291 221.178 -114.055 221.178 -146.747 213.973 -114.055 213.974 -193.877 GPRESSURE: 1352400 -92.3728 195.927 -15.1475 98.3515 -195.196 266.687 -190.956 85.0155 -158.163 PRESSAVG: 1352400 -3.51088 -8.42921 -52.9722 -8.42915 -8.45649 27.1169 -52.9723 27.1169 -16.5189 GPRESSAVG: 1352400 -3.40182 -7.68102 -53.0788 -10.6616 -8.72158 26.5569 -54.2363 29.8037 -16.1255 TIMING: 1352400 CPU: 4274.33, 0.00323334/step Wall: 4274.33, 0.00323334/step, 3.27609 hours remaining, 233.136719 MB of memory in use. ENERGY: 1352400 4024.1647 20745.9571 14449.4344 224.5989 -203412.1761 2651.9317 0.0000 0.0000 52103.0216 -109213.0677 299.4368 -161316.0892 -108839.1709 299.9317 -169.6387 -148.5773 761321.2710 -9.4954 -9.4163 PRESSURE: 1352600 -294.958 -371.484 141.341 -371.484 316.953 -61.0843 141.341 -61.0857 120.292 GPRESSURE: 1352600 -323.429 -260.44 220.79 -310.469 353.377 -5.50744 40.7834 -102.607 174.119 PRESSAVG: 1352600 -44.314 -78.6494 57.3338 -78.6494 20.268 49.0264 57.3338 49.0265 -5.07991 GPRESSAVG: 1352600 -45.094 -76.5157 58.0421 -78.1837 20.4584 46.6674 57.7659 48.9472 -4.41683 TIMING: 1352600 CPU: 4274.96, 0.00318028/step Wall: 4274.96, 0.00318028/step, 3.22215 hours remaining, 233.207031 MB of memory in use. ENERGY: 1352600 3995.4390 20694.0859 14554.7638 251.7804 -203446.1771 2646.1820 0.0000 0.0000 52222.8004 -109081.1257 300.1252 -161303.9261 -108721.1814 299.5089 47.4289 68.0222 762699.8099 -9.7086 -9.6841 PRESSURE: 1352800 -261.09 -33.7405 -326.049 -33.7402 86.0345 -104.34 -326.049 -104.341 287.29 GPRESSURE: 1352800 -199.083 91.4712 -314.784 -56.4647 131.113 -10.1699 -224.162 -121.728 274.407 PRESSAVG: 1352800 -23.192 -42.241 -23.1992 -42.2411 36.7577 30.4566 -23.1993 30.4566 -18.1892 GPRESSAVG: 1352800 -22.5106 -44.1266 -25.9989 -43.8188 37.2952 31.9577 -19.2168 29.1817 -19.1068 TIMING: 1352800 CPU: 4275.6, 0.00316576/step Wall: 4275.6, 0.00316576/step, 3.20727 hours remaining, 233.207031 MB of memory in use. ENERGY: 1352800 4001.6258 20436.4013 14503.4965 252.6200 -203454.2489 2763.8933 0.0000 0.0000 52386.0708 -109110.1412 301.0635 -161496.2121 -108745.1867 300.2154 37.4115 68.8121 763436.9371 -1.5412 -1.4407 PRESSURE: 1353000 48.2347 -256.317 116.266 -256.316 37.3419 186.978 116.266 186.978 -77.2323 GPRESSURE: 1353000 152.409 -293.693 53.323 -112.954 -92.6457 75.4234 9.58601 159.168 25.7771 PRESSAVG: 1353000 -71.4284 10.3039 -20.2094 10.3039 36.9194 -18.0607 -20.2094 -18.0607 8.42686 GPRESSAVG: 1353000 -70.143 11.068 -17.6348 11.0506 35.8369 -16.5293 -23.1001 -17.7332 8.69176 TIMING: 1353000 CPU: 4276.23, 0.0031686/step Wall: 4276.23, 0.0031686/step, 3.20997 hours remaining, 233.207031 MB of memory in use. ENERGY: 1353000 4016.9343 20660.6311 14458.0804 224.9969 -203193.0741 2614.3875 0.0000 0.0000 52071.9353 -109146.1085 299.2581 -161218.0439 -108771.6800 299.8408 2.7815 28.5136 760695.8108 -8.6940 -8.5381 PRESSURE: 1353200 51.1784 70.9191 169.151 70.9173 136.329 -128.11 169.151 -128.11 210.995 GPRESSURE: 1353200 57.4439 119.766 220.948 11.6367 133.792 -73.9337 102.836 -191.982 269.852 PRESSAVG: 1353200 23.4581 83.9785 -16.175 83.9786 -1.79274 15.5069 -16.175 15.5069 -16.7573 GPRESSAVG: 1353200 22.3424 81.8604 -17.2291 85.1552 -1.41692 14.9135 -16.805 15.6491 -15.9041 TIMING: 1353200 CPU: 4276.86, 0.00316792/step Wall: 4276.86, 0.00316792/step, 3.20911 hours remaining, 233.207031 MB of memory in use. ENERGY: 1353200 4081.8811 20642.6083 14501.4566 242.2941 -203440.6175 2709.6367 0.0000 0.0000 51996.1969 -109266.5437 298.8229 -161262.7406 -108895.2606 300.1867 132.8341 153.6958 762025.3184 1.6360 1.6738 PRESSURE: 1353400 -118.062 -75.5674 -20.062 -75.5681 24.7264 -27.1941 -20.0623 -27.1932 -448.166 GPRESSURE: 1353400 -115.342 -66.6215 33.2335 -53.247 76.5427 87.6414 -248.25 -22.9557 -416.263 PRESSAVG: 1353400 41.0888 34.5872 38.145 34.5872 -45.1735 19.8405 38.145 19.8406 35.8651 GPRESSAVG: 1353400 42.0348 35.1004 40.5437 36.5542 -45.3113 19.2345 35.9985 21.2004 35.1594 TIMING: 1353400 CPU: 4277.5, 0.00316562/step Wall: 4277.5, 0.00316562/step, 3.2066 hours remaining, 233.207031 MB of memory in use. ENERGY: 1353400 3969.6660 20651.6025 14498.3884 234.3297 -203493.9103 2874.3006 0.0000 0.0000 52017.0649 -109248.5581 298.9428 -161265.6230 -108888.9070 298.9894 -180.5008 -151.6876 762420.8235 10.5935 10.6277 PRESSURE: 1353600 -101.764 -151.044 -15.6901 -151.044 -148.62 57.3862 -15.6897 57.3856 -127.587 GPRESSURE: 1353600 -51.8428 -117.546 -36.1034 -270.88 -91.1888 30.8005 75.9403 -56.1059 -147.294 PRESSAVG: 1353600 90.5915 19.8976 -22.9512 19.8976 -31.4542 -16.6337 -22.9513 -16.6337 -11.049 GPRESSAVG: 1353600 88.9458 19.6623 -25.652 17.6784 -30.531 -15.7329 -20.0986 -18.3644 -10.1353 TIMING: 1353600 CPU: 4278.13, 0.00315272/step Wall: 4278.13, 0.00315272/step, 3.19336 hours remaining, 233.207031 MB of memory in use. ENERGY: 1353600 3979.3961 20682.2701 14538.9453 236.0355 -203149.0826 2460.5455 0.0000 0.0000 51955.6156 -109296.2745 298.5896 -161251.8901 -108929.5921 299.7062 -125.9903 -96.7752 761830.2296 16.0294 16.0932 PRESSURE: 1353800 372.528 9.12638 266.372 9.12482 -228.255 273.111 266.372 273.11 -239.933 GPRESSURE: 1353800 388.376 73.5939 331.376 40.1557 -192.572 267.365 242.24 294.851 -212.655 PRESSAVG: 1353800 46.718 38.5368 -26.9432 38.5367 -39.3954 6.6149 -26.9433 6.61493 -3.73674 GPRESSAVG: 1353800 48.4556 40.0176 -26.3126 37.8957 -41.3401 5.66338 -28.3343 6.41636 -3.43783 TIMING: 1353800 CPU: 4278.76, 0.00315594/step Wall: 4278.76, 0.00315594/step, 3.19645 hours remaining, 233.207031 MB of memory in use. ENERGY: 1353800 4031.0543 20502.4816 14506.9871 245.6383 -203187.5643 2589.4398 0.0000 0.0000 51777.4016 -109534.5615 297.5654 -161311.9631 -109178.7076 298.5883 -31.8868 -5.6171 760732.2968 1.1953 1.2259 PRESSURE: 1354000 -784.574 13.956 210.467 13.9569 -531.617 117.929 210.467 117.929 -306.755 GPRESSURE: 1354000 -719.021 2.70158 208.445 18.1934 -439.931 91.2555 162.158 118.922 -377.243 PRESSAVG: 1354000 20.4667 9.10806 -19.2372 9.1081 -39.1623 -41.1788 -19.2371 -41.1788 -4.00153 GPRESSAVG: 1354000 19.1646 8.54768 -19.2264 8.67274 -38.1658 -42.2025 -19.1055 -39.7132 -4.31569 TIMING: 1354000 CPU: 4279.4, 0.00318536/step Wall: 4279.4, 0.00318536/step, 3.22607 hours remaining, 233.207031 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: 1354000 3987.4230 20522.1738 14481.1912 242.3459 -203491.7021 2732.1093 0.0000 0.0000 52088.9545 -109437.5045 299.3559 -161526.4590 -109070.2579 299.1615 -540.9821 -512.0650 763360.0047 -7.5657 -7.7723 PRESSURE: 1354200 -44.3118 -17.9782 -27.9463 -17.9786 19.9484 39.264 -27.9462 39.2639 -123.387 GPRESSURE: 1354200 -41.5225 -73.9092 -105.623 -10.3524 86.2709 -37.1847 -50.4744 -92.7188 -102.957 PRESSAVG: 1354200 14.1107 16.8038 -16.5662 16.8038 -25.0963 -7.78093 -16.5662 -7.78095 11.2465 GPRESSAVG: 1354200 13.5673 16.6236 -16.726 16.3554 -23.8383 -7.85913 -14.8666 -7.95244 11.0454 TIMING: 1354200 CPU: 4280.03, 0.00315936/step Wall: 4280.03, 0.00315936/step, 3.19955 hours remaining, 233.207031 MB of memory in use. ENERGY: 1354200 3944.1731 20488.9041 14508.2109 232.3722 -203547.7779 2711.2948 0.0000 0.0000 52092.7589 -109570.0638 299.3778 -161662.8228 -109212.7847 299.1579 -49.2502 -19.4029 763524.3485 0.0869 0.2581 PRESSURE: 1354400 0.625543 4.10739 -52.6697 4.10783 -64.2126 132.667 -52.6708 132.668 -97.7596 GPRESSURE: 1354400 81.5156 110.842 -113.799 -97.8494 -84.6126 141.984 -9.95266 77.5604 -74.2328 PRESSAVG: 1354400 56.828 -1.20233 52.7736 -1.20235 0.807945 5.19089 52.7736 5.19087 -11.2692 GPRESSAVG: 1354400 58.2784 -3.29565 52.8417 -0.00408205 -0.191931 5.71742 50.528 2.8147 -11.3403 TIMING: 1354400 CPU: 4280.66, 0.00316342/step Wall: 4280.66, 0.00316342/step, 3.20349 hours remaining, 233.207031 MB of memory in use. ENERGY: 1354400 4026.2116 20265.1348 14463.8828 242.1091 -203314.3368 2555.9836 0.0000 0.0000 52206.6322 -109554.3829 300.0322 -161761.0151 -109189.6540 298.6355 -53.7822 -25.7766 762002.5901 15.4556 15.5821 PRESSURE: 1354600 109.665 -71.9097 -66.5564 -71.9094 330.223 -280.501 -66.5557 -280.501 53.8339 GPRESSURE: 1354600 114.499 26.0354 -75.6347 34.366 362.186 -251.673 -36.5702 -264.351 72.6148 PRESSAVG: 1354600 49.85 -11.5115 15.8248 -11.5116 -40.4281 4.08051 15.8248 4.08058 -8.05779 GPRESSAVG: 1354600 48.7394 -9.11721 14.4673 -11.5938 -39.5239 4.27709 19.916 6.43021 -8.04808 TIMING: 1354600 CPU: 4281.29, 0.00315583/step Wall: 4281.29, 0.00315583/step, 3.19563 hours remaining, 233.207031 MB of memory in use. ENERGY: 1354600 4005.6715 20553.5523 14469.1391 242.3545 -203731.3085 2931.2105 0.0000 0.0000 52013.2153 -109516.1653 298.9207 -161529.3806 -109145.6623 299.3665 164.5738 183.0998 763286.4296 0.4547 0.3892 PRESSURE: 1354800 -235.382 -16.151 82.2174 -16.15 115.65 -259.854 82.2175 -259.854 -143.908 GPRESSURE: 1354800 -182.488 -16.1408 110.733 40.9132 83.3382 -296.917 68.383 -263.33 -90.7945 PRESSAVG: 1354800 23.2792 -24.7343 61.3958 -24.7343 -3.46816 6.89212 61.3958 6.89215 7.99624 GPRESSAVG: 1354800 22.1269 -25.1041 63.6969 -24.7081 -3.11821 6.58995 60.0139 5.9851 8.91564 TIMING: 1354800 CPU: 4281.92, 0.00314433/step Wall: 4281.92, 0.00314433/step, 3.18381 hours remaining, 233.207031 MB of memory in use. ENERGY: 1354800 3932.5276 20541.5429 14583.7376 236.7442 -203309.4528 2732.8559 0.0000 0.0000 51779.2407 -109502.8039 297.5760 -161282.0446 -109141.8752 298.7033 -87.8800 -63.3149 763221.7530 9.2691 9.3081 PRESSURE: 1355000 -352.313 -60.4677 106.975 -60.467 -322.207 -44.9452 106.976 -44.9443 -429.976 GPRESSURE: 1355000 -270.144 -147.134 35.9779 75.4966 -272.808 -54.2855 78.0025 -42.4226 -492.53 PRESSAVG: 1355000 31.2543 6.68927 -17.0282 6.68927 -4.39758 -6.9153 -17.0283 -6.91526 -15.1111 GPRESSAVG: 1355000 32.492 6.81629 -18.8262 5.17437 -4.96523 -4.0056 -17.8118 -7.17375 -16.5488 TIMING: 1355000 CPU: 4282.55, 0.0031447/step Wall: 4282.55, 0.0031447/step, 3.184 hours remaining, 233.207031 MB of memory in use. ENERGY: 1355000 3976.1076 20336.5151 14485.1413 239.7654 -203466.9760 2763.7066 0.0000 0.0000 52180.7346 -109485.0053 299.8834 -161665.7399 -109127.1937 298.5490 -368.1651 -345.1607 763529.1851 3.9152 3.6593 PRESSURE: 1355200 -12.4162 -57.0341 -40.7682 -57.0333 118.006 69.3164 -40.7677 69.3153 -239.893 GPRESSURE: 1355200 -35.1685 -212.146 -103.781 -42.8584 138.488 99.3054 18.6093 125.859 -135.243 PRESSAVG: 1355200 -1.82425 -8.88167 11.0677 -8.88164 1.14876 -10.7899 11.0677 -10.7898 -25.9769 GPRESSAVG: 1355200 -0.616042 -10.7372 11.9683 -9.82092 0.187746 -12.6678 11.8699 -9.64586 -26.2863 TIMING: 1355200 CPU: 4283.18, 0.00314739/step Wall: 4283.18, 0.00314739/step, 3.18655 hours remaining, 233.207031 MB of memory in use. ENERGY: 1355200 3931.2605 20740.7070 14489.6806 251.6084 -203637.1794 2763.0877 0.0000 0.0000 52148.9702 -109311.8650 299.7008 -161460.8352 -108954.0189 298.9757 -44.7676 -10.6412 763214.7454 -8.8841 -8.9049 PRESSURE: 1355400 -42.7435 -59.668 -42.5165 -59.6676 -155.64 52.2068 -42.5162 52.2055 -187.722 GPRESSURE: 1355400 66.2831 41.6001 77.5804 -120.787 -127.019 44.4605 10.4535 -11.7656 -247.729 PRESSAVG: 1355400 17.8015 27.4778 4.43672 27.4778 -40.1454 -27.3617 4.43674 -27.3617 5.79099 GPRESSAVG: 1355400 16.9333 29.676 3.74858 29.4883 -39.6066 -29.1979 5.31301 -29.2185 5.99473 TIMING: 1355400 CPU: 4283.81, 0.00316968/step Wall: 4283.81, 0.00316968/step, 3.20895 hours remaining, 233.207031 MB of memory in use. ENERGY: 1355400 4024.9780 20473.3200 14553.9560 245.8262 -203080.1178 2614.3047 0.0000 0.0000 52095.2995 -109072.4333 299.3924 -161167.7329 -108711.4345 299.3868 -128.7020 -102.8216 762642.9977 -5.5176 -5.5595 PRESSURE: 1355600 36.5541 247.829 274.153 247.829 -424.287 -29.3865 274.153 -29.3867 -277.459 GPRESSURE: 1355600 93.6051 141.994 195.749 169.73 -334.333 -105.394 277.513 -153.17 -343.405 PRESSAVG: 1355600 -2.23005 17.681 28.1571 17.681 29.7264 -2.6115 28.1571 -2.61148 -10.2048 GPRESSAVG: 1355600 -3.42543 16.5697 29.7429 16.0136 30.6256 -1.93581 27.1191 -2.55618 -9.71071 TIMING: 1355600 CPU: 4284.45, 0.00317144/step Wall: 4284.45, 0.00317144/step, 3.21056 hours remaining, 233.207031 MB of memory in use. ENERGY: 1355600 4071.4857 20704.0412 14526.2377 222.2837 -203325.2186 2758.7179 0.0000 0.0000 52280.2145 -108762.2379 300.4551 -161042.4524 -108403.1310 299.7426 -221.7307 -194.7110 763005.5654 5.7639 5.8298 PRESSURE: 1355800 -511.225 -185.739 46.8774 -185.74 187.978 -124.337 46.877 -124.338 -62.6033 GPRESSURE: 1355800 -417.757 -107.784 -6.82379 -280.602 161.885 -159.736 171.374 -110.996 -49.6432 PRESSAVG: 1355800 20.0818 -37.5953 32.1148 -37.5954 17.7835 -48.7953 32.1149 -48.7953 -10.0806 GPRESSAVG: 1355800 21.4682 -37.8434 31.3796 -34.8396 17.7006 -47.2344 32.9953 -47.9876 -10.4634 TIMING: 1355800 CPU: 4285.08, 0.00313724/step Wall: 4285.08, 0.00313724/step, 3.17576 hours remaining, 233.207031 MB of memory in use. ENERGY: 1355800 4123.4636 20599.2356 14513.9779 264.3198 -203060.4663 2544.4835 0.0000 0.0000 52036.1306 -108978.8553 299.0524 -161014.9859 -108628.5847 300.1184 -128.6167 -101.8385 763692.9728 9.2616 9.5684 PRESSURE: 1356000 58.4605 -102.721 -91.3912 -102.721 12.868 -141.285 -91.3906 -141.285 419.542 GPRESSURE: 1356000 107.557 -146.879 -47.3431 12.682 56.2064 -105.379 -46.1031 -233.074 397.483 PRESSAVG: 1356000 -22.2067 -43.7706 8.55321 -43.7706 19.6547 -21.7706 8.55333 -21.7704 31.9994 GPRESSAVG: 1356000 -22.9243 -42.0421 8.65733 -46.8258 19.6982 -23.6891 8.27309 -21.8889 32.9937 TIMING: 1356000 CPU: 4285.7, 0.00312883/step Wall: 4285.7, 0.00312883/step, 3.16707 hours remaining, 233.207031 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: 1356000 3978.2622 20638.5796 14604.2949 259.2304 -203525.7458 2704.7723 0.0000 0.0000 52307.1820 -109033.4245 300.6101 -161340.6064 -108676.7846 299.9422 163.6234 187.0820 762986.2633 9.8158 9.9225 PRESSURE: 1356200 -380.49 59.2392 -46.2209 59.2396 -89.9227 -206.894 -46.2207 -206.893 -279.549 GPRESSURE: 1356200 -356.527 29.0728 -48.7166 256.5 -7.16791 -146.402 -31.3644 -127.245 -296.2 PRESSAVG: 1356200 -45.5799 -26.1655 -3.01211 -26.1655 34.6699 -4.8303 -3.01213 -4.83033 -33.191 GPRESSAVG: 1356200 -45.1886 -26.8748 -1.27494 -24.5622 35.5818 -4.34137 -3.48505 -4.99129 -34.4249 TIMING: 1356200 CPU: 4286.33, 0.00315759/step Wall: 4286.33, 0.00315759/step, 3.19601 hours remaining, 233.207031 MB of memory in use. ENERGY: 1356200 4019.7988 20699.0693 14522.1850 227.7767 -203700.2381 2988.1688 0.0000 0.0000 52136.5513 -109106.6883 299.6295 -161243.2396 -108749.6044 299.8934 -249.9874 -219.9650 763197.7980 -14.7003 -14.6772 LDB: ============= START OF LOAD BALANCING ============== 4298.87 LDB: ============== END OF LOAD BALANCING =============== 4298.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4298.87 LDB: ============= START OF LOAD BALANCING ============== 4299.19 LDB: Largest compute 7041 load 0.031166 is 16.0% of average load 0.195363 LDB: Average compute 0.004412 is 2.3% of average load 0.195363 LDB: TIME 4299.19 LOAD: AVG 0.195363 MAX 0.21773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.902 MB LDB: TIME 4299.19 LOAD: AVG 0.195363 MAX 0.21773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: TIME 4299.19 LOAD: AVG 0.195363 MAX 0.21773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: ============== END OF LOAD BALANCING =============== 4299.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4299.2 PRESSURE: 1356400 -306.694 -112.402 78.5689 -112.402 -64.9254 -305.513 78.569 -305.512 168.408 GPRESSURE: 1356400 -304.208 -79.0851 86.4585 -136.985 -47.5607 -273.148 67.9123 -173.973 220.744 PRESSAVG: 1356400 3.42287 27.6036 -8.16481 27.6036 -40.6367 -79.1499 -8.16481 -79.1499 13.1651 GPRESSAVG: 1356400 2.86286 28.8054 -10.6848 29.6678 -41.0916 -78.9165 -9.20606 -79.8983 14.0825 TIMING: 1356400 CPU: 4286.98, 0.00324/step Wall: 4286.98, 0.00324/step, 3.27924 hours remaining, 232.812500 MB of memory in use. ENERGY: 1356400 3958.0175 20508.9336 14424.0317 235.8279 -202877.3084 2465.7972 0.0000 0.0000 52106.9877 -109177.7127 299.4596 -161284.7004 -108817.9660 299.9959 -67.7373 -43.6749 763374.4673 -8.0163 -8.0487 PRESSURE: 1356600 -210.973 3.00314 -171.012 3.00314 -255.354 -107.076 -171.012 -107.077 -305.485 GPRESSURE: 1356600 -221.174 -124.426 -185.615 -16.4002 -114.208 -234.443 -47.1131 -11.8842 -353.946 PRESSAVG: 1356600 80.2834 -35.1991 -23.6607 -35.199 -33.5337 -43.729 -23.6607 -43.7291 16.7127 GPRESSAVG: 1356600 80.6333 -37.4067 -24.0201 -36.2165 -33.7537 -45.6148 -21.8412 -41.4611 16.0864 TIMING: 1356600 CPU: 4287.61, 0.00316917/step Wall: 4287.61, 0.00316917/step, 3.20738 hours remaining, 233.082031 MB of memory in use. ENERGY: 1356600 3956.2511 20512.4980 14476.4183 236.4177 -203145.7943 2614.5014 0.0000 0.0000 52152.5937 -109197.1141 299.7217 -161349.7078 -108832.7517 299.3825 -257.2704 -229.7763 763053.2924 21.1541 20.9887 PRESSURE: 1356800 -328.326 72.5416 -25.085 72.5414 -27.7881 51.2618 -25.0854 51.2627 139.462 GPRESSURE: 1356800 -207.507 112.201 -23.2365 73.2844 -110.161 -84.8696 -55.3687 -19.96 175.692 PRESSAVG: 1356800 -37.4384 -31.9023 -54.1833 -31.9023 -48.0121 -48.3942 -54.1834 -48.3942 -26.9579 GPRESSAVG: 1356800 -36.4282 -32.7753 -52.5703 -34.3282 -48.9317 -47.8293 -55.1283 -49.7998 -26.2585 TIMING: 1356800 CPU: 4288.25, 0.00316745/step Wall: 4288.25, 0.00316745/step, 3.20546 hours remaining, 233.082031 MB of memory in use. ENERGY: 1356800 3969.4223 20408.7819 14523.4079 253.3961 -202807.2834 2517.6759 0.0000 0.0000 51849.9354 -109284.6639 297.9823 -161134.5993 -108919.7630 299.0955 -72.2174 -47.3256 765026.2937 -37.4695 -37.2061 PRESSURE: 1357000 -135.848 111.731 2.14332 111.731 -19.1131 175.937 2.14287 175.937 269.094 GPRESSURE: 1357000 -30.0439 121.976 7.10999 75.4723 -28.8053 241.253 67.5957 133.314 238.476 PRESSAVG: 1357000 -27.0938 -28.0949 -2.98575 -28.095 6.2845 -0.788125 -2.98571 -0.78819 -11.413 GPRESSAVG: 1357000 -27.8971 -25.8444 -3.52562 -25.8535 6.84302 0.385922 -3.37793 -1.15177 -10.9075 TIMING: 1357000 CPU: 4288.88, 0.00315606/step Wall: 4288.88, 0.00315606/step, 3.19375 hours remaining, 233.082031 MB of memory in use. ENERGY: 1357000 3997.5056 20433.4559 14543.6845 256.2498 -203524.7735 2809.7242 0.0000 0.0000 52123.7002 -109360.4533 299.5556 -161484.1535 -109007.5238 298.9796 38.0444 59.8757 762382.6113 -10.7407 -10.6539 PRESSURE: 1357200 58.8465 4.23322 69.1639 4.23257 254.308 39.2389 69.1633 39.2381 137.161 GPRESSURE: 1357200 161.885 -64.6931 111.626 51.3074 246.152 84.4574 107.944 -19.6328 151.462 PRESSAVG: 1357200 -61.4205 -16.4955 21.8241 -16.4955 33.9482 20.4793 21.8241 20.4794 -13.0347 GPRESSAVG: 1357200 -60.3021 -17.2668 20.0848 -16.1932 34.374 20.5829 23.7486 17.823 -14.4437 TIMING: 1357200 CPU: 4289.51, 0.00315089/step Wall: 4289.51, 0.00315089/step, 3.18835 hours remaining, 233.082031 MB of memory in use. ENERGY: 1357200 4063.3827 20565.1281 14491.9598 256.8265 -203575.0750 2966.4135 0.0000 0.0000 51891.2006 -109340.1638 298.2194 -161231.3643 -108974.2243 298.9672 150.1051 186.4998 761737.9146 -13.5023 -13.4573 PRESSURE: 1357400 30.4767 -29.5828 153.038 -29.5833 19.5465 -148.371 153.038 -148.371 -200.366 GPRESSURE: 1357400 5.94571 19.5858 248.494 -112.413 43.8482 -68.6973 134.197 -225.201 -132.156 PRESSAVG: 1357400 -11.197 -34.8023 22.8292 -34.8023 -8.30381 27.2281 22.8292 27.2282 18.8888 GPRESSAVG: 1357400 -11.4156 -33.6397 26.2274 -34.2267 -9.04143 27.3763 22.3284 29.7845 19.1368 TIMING: 1357400 CPU: 4290.14, 0.00315597/step Wall: 4290.14, 0.00315597/step, 3.19331 hours remaining, 233.082031 MB of memory in use. ENERGY: 1357400 3999.2678 20509.6505 14422.3664 235.1509 -203274.7186 2540.3720 0.0000 0.0000 52207.0742 -109360.8369 300.0348 -161567.9111 -108997.6694 299.1565 -50.1142 -27.4541 762092.7977 -0.2040 -0.4401 PRESSURE: 1357600 -231.408 1.59036 -84.9245 1.5915 -61.202 -148.274 -84.9249 -148.274 -44.6731 GPRESSURE: 1357600 -173.556 -30.2259 -95.9662 24.8279 -34.5811 -70.052 -88.5443 -127.75 -43.87 PRESSAVG: 1357600 -9.74225 -71.3935 15.0737 -71.3935 -13.7384 -3.75145 15.0738 -3.75147 17.9748 GPRESSAVG: 1357600 -10.4452 -72.4117 13.4763 -73.5289 -12.69 -5.2225 13.7526 -3.5584 17.6208 TIMING: 1357600 CPU: 4290.77, 0.00316055/step Wall: 4290.77, 0.00316055/step, 3.19777 hours remaining, 233.082031 MB of memory in use. ENERGY: 1357600 4004.1491 20521.6054 14481.0081 244.7470 -203131.5388 2634.8859 0.0000 0.0000 51880.0425 -109365.1008 298.1553 -161245.1433 -109011.1563 298.8007 -112.4278 -84.0023 762898.9917 -1.8353 -1.8381 PRESSURE: 1357800 -233.246 132.919 74.5081 132.919 113.541 326.289 74.508 326.29 -84.3767 GPRESSURE: 1357800 -126.841 221.157 103.178 97.4639 42.8337 249.342 29.7355 324.525 -32.0068 PRESSAVG: 1357800 0.178232 -1.63897 -42.8903 -1.63889 -27.6343 -26.8179 -42.8904 -26.818 -8.55686 GPRESSAVG: 1357800 2.21946 -4.68034 -44.1184 0.348541 -29.9034 -25.2028 -42.9648 -28.8503 -8.36099 TIMING: 1357800 CPU: 4291.4, 0.00315719/step Wall: 4291.4, 0.00315719/step, 3.1942 hours remaining, 233.082031 MB of memory in use. ENERGY: 1357800 3913.4360 20413.1536 14481.5154 237.6038 -203250.0385 2750.3179 0.0000 0.0000 52120.4299 -109333.5818 299.5368 -161454.0117 -108963.4303 298.7926 -68.0273 -38.6715 762929.9647 -12.0043 -12.0150 PRESSURE: 1358000 331.243 -122.146 24.8686 -122.146 408.875 131.139 24.8688 131.139 132.207 GPRESSURE: 1358000 337.334 -105.175 -17.9477 18.7883 402.988 94.0057 60.0612 223.728 185.501 PRESSAVG: 1358000 30.7632 -17.6771 -45.5795 -17.677 -15.9632 27.0495 -45.5795 27.0495 1.30841 GPRESSAVG: 1358000 29.3103 -14.3371 -45.5362 -19.1052 -15.1915 27.1307 -44.875 28.9191 1.81478 TIMING: 1358000 CPU: 4292.03, 0.00314616/step Wall: 4292.03, 0.00314616/step, 3.18286 hours remaining, 233.082031 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: 1358000 3928.7427 20581.1934 14469.2099 243.3860 -203463.6366 2962.1721 0.0000 0.0000 51795.1385 -109483.7941 297.6674 -161278.9327 -109128.5711 299.0039 290.7752 308.6078 762629.9900 5.3695 5.3112 PRESSURE: 1358200 114.061 -211.514 132.692 -211.513 -180.917 70.3422 132.693 70.3426 -215.862 GPRESSURE: 1358200 81.138 -227.46 142.9 -277.177 -135.29 38.0538 184.521 66.7281 -143.564 PRESSAVG: 1358200 -6.27376 -14.3988 26.9778 -14.3989 31.6581 11.5635 26.9778 11.5635 9.29873 GPRESSAVG: 1358200 -6.96376 -15.8256 27.2214 -13.8648 31.9124 12.2268 28.5137 12.007 9.79476 TIMING: 1358200 CPU: 4292.66, 0.00313052/step Wall: 4292.66, 0.00313052/step, 3.16687 hours remaining, 233.082031 MB of memory in use. ENERGY: 1358200 3992.4939 20411.1296 14361.3841 240.9925 -203470.5022 2743.5640 0.0000 0.0000 52251.9843 -109468.9539 300.2929 -161720.9381 -109110.4452 298.4402 -94.2396 -65.9054 760966.7201 11.5610 11.5811 PRESSURE: 1358400 84.6011 69.7701 -76.9636 69.7698 141.35 -77.7431 -76.9635 -77.7425 -222.113 GPRESSURE: 1358400 109.318 -68.2342 -33.1793 38.4102 87.3092 -32.739 -193.716 -178.476 -102.858 PRESSAVG: 1358400 55.73 17.6557 -17.8229 17.6558 -20.7107 16.7872 -17.8229 16.7872 -1.99797 GPRESSAVG: 1358400 57.6468 16.3517 -18.3489 17.766 -21.6747 15.861 -19.3472 14.5758 -2.63372 TIMING: 1358400 CPU: 4293.29, 0.00314282/step Wall: 4293.29, 0.00314282/step, 3.17914 hours remaining, 233.140625 MB of memory in use. ENERGY: 1358400 3953.1080 20435.7481 14394.6763 236.6378 -203740.1648 3146.8714 0.0000 0.0000 51954.8919 -109618.2313 298.5855 -161573.1232 -109268.3396 298.5915 1.2791 31.2565 761159.4820 11.0071 11.1128 PRESSURE: 1358600 162.134 20.0836 246.574 20.0836 182.53 10.155 246.574 10.1543 -60.8908 GPRESSURE: 1358600 223.043 42.4623 205.977 93.3857 173.765 93.1095 243.553 104.97 -53.4295 PRESSAVG: 1358600 39.4613 -11.0067 55.4985 -11.0068 -32.7419 31.4679 55.4985 31.468 9.76433 GPRESSAVG: 1358600 39.1129 -9.83764 56.0244 -9.82339 -32.21 31.1878 55.1723 32.0911 9.67243 TIMING: 1358600 CPU: 4293.92, 0.00314514/step Wall: 4293.92, 0.00314514/step, 3.18131 hours remaining, 233.070312 MB of memory in use. ENERGY: 1358600 3971.9310 20335.4193 14467.2995 252.1562 -203619.8502 2861.7493 0.0000 0.0000 52237.0490 -109494.2458 300.2070 -161731.2949 -109136.5464 298.8420 94.5911 114.4594 762080.9123 5.4946 5.5251 PRESSURE: 1358800 -96.2407 -97.4341 90.1812 -97.4347 -264.935 77.1674 90.1809 77.1669 66.5565 GPRESSURE: 1358800 -48.5559 -188.53 67.9023 -76.3779 -150.084 44.8533 132.612 165.404 1.27033 PRESSAVG: 1358800 21.9857 18.0382 20.7368 18.0382 -4.35261 45.8553 20.7368 45.8553 7.55646 GPRESSAVG: 1358800 22.3453 17.4164 19.8293 17.4283 -4.88654 47.3411 20.0925 46.0453 8.00148 TIMING: 1358800 CPU: 4294.55, 0.00316228/step Wall: 4294.55, 0.00316228/step, 3.19847 hours remaining, 233.082031 MB of memory in use. ENERGY: 1358800 3986.9012 20516.8810 14502.1581 233.0421 -203698.9057 2823.7287 0.0000 0.0000 52017.9961 -109618.1985 298.9481 -161636.1946 -109253.1241 298.5461 -98.2066 -65.7897 762727.7790 8.3965 8.4867 PRESSURE: 1359000 -24.0426 263.256 -183.591 263.257 -130.228 87.6249 -183.591 87.6258 22.2575 GPRESSURE: 1359000 -29.834 92.3779 -147.204 124.196 -81.624 25.9351 -208.208 28.7169 50.9427 PRESSAVG: 1359000 -3.40717 22.1282 78.8411 22.1282 27.3313 43.5092 78.8411 43.5092 2.61939 GPRESSAVG: 1359000 -3.55717 22.8341 79.8122 22.4858 28.1744 42.4544 78.2167 44.2451 1.87844 TIMING: 1359000 CPU: 4295.18, 0.00316035/step Wall: 4295.18, 0.00316035/step, 3.19634 hours remaining, 233.082031 MB of memory in use. ENERGY: 1359000 3970.3317 20434.0605 14439.8286 230.9128 -203216.5251 2644.7195 0.0000 0.0000 51799.0248 -109697.6472 297.6897 -161496.6719 -109340.8215 298.1706 -44.0044 -20.1718 763251.0615 8.8478 8.8319 PRESSURE: 1359200 142.652 -97.0278 -67.4451 -97.028 260.084 -145.165 -67.4442 -145.166 258.406 GPRESSURE: 1359200 147.123 -79.5484 -100.954 -112.291 293.395 -105.981 -110.322 -207.451 298.716 PRESSAVG: 1359200 -53.7603 -5.01433 -19.9102 -5.01429 29.5905 -30.6172 -19.9102 -30.6172 -2.04616 GPRESSAVG: 1359200 -54.621 -4.48711 -18.4218 -6.80212 29.8061 -28.5872 -20.1252 -31.7742 -1.69809 TIMING: 1359200 CPU: 4295.81, 0.00316391/step Wall: 4295.81, 0.00316391/step, 3.19977 hours remaining, 233.082031 MB of memory in use. ENERGY: 1359200 3974.0757 20467.2497 14470.2105 240.7615 -203622.0915 3107.6878 0.0000 0.0000 51814.8888 -109547.2176 297.7809 -161362.1064 -109192.9796 297.5822 220.3808 246.4114 762401.9268 -8.7387 -8.8377 PRESSURE: 1359400 -140.202 -136.477 -90.6299 -136.477 -45.8598 -12.5246 -90.6298 -12.5247 -222.781 GPRESSURE: 1359400 -116.929 -209.402 -146.501 -65.1444 -102.224 -117.388 7.14206 62.7065 -111.929 PRESSAVG: 1359400 -8.44067 -27.6525 -21.4336 -27.6525 32.0519 -7.44827 -21.4336 -7.44834 -6.64788 GPRESSAVG: 1359400 -6.73276 -28.4573 -22.5884 -27.1994 30.9535 -9.383 -21.8595 -5.08908 -7.15651 TIMING: 1359400 CPU: 4296.45, 0.00316911/step Wall: 4296.45, 0.00316911/step, 3.20485 hours remaining, 233.082031 MB of memory in use. ENERGY: 1359400 4011.1965 20339.0928 14573.8568 224.3067 -203188.7637 2851.4895 0.0000 0.0000 51880.2253 -109308.5961 298.1564 -161188.8213 -108949.1914 298.3131 -136.2809 -110.3609 763782.8379 5.6544 5.6881 PRESSURE: 1359600 -29.6661 -10.7363 114.806 -10.7364 -348.168 -160.012 114.805 -160.012 -155.667 GPRESSURE: 1359600 -29.6782 7.58218 159.66 25.3949 -304.842 -117.697 0.385982 -170.786 -100.226 PRESSAVG: 1359600 2.94341 0.91486 39.0491 0.914804 20.2943 26.3935 39.0491 26.3935 0.695501 GPRESSAVG: 1359600 0.575757 1.45304 38.6276 1.67745 21.6877 26.0501 41.5525 23.5898 1.54653 TIMING: 1359600 CPU: 4297.08, 0.00316527/step Wall: 4297.08, 0.00316527/step, 3.20079 hours remaining, 233.082031 MB of memory in use. ENERGY: 1359600 4043.9960 20398.8650 14448.9983 245.7513 -202821.8923 2497.9788 0.0000 0.0000 52014.5707 -109171.7323 298.9285 -161186.3029 -108796.0228 299.5241 -177.8337 -144.9152 762362.2166 7.9777 7.9367 PRESSURE: 1359800 -177.065 67.1136 7.3093 67.1133 -257.544 145.612 7.30935 145.612 156.578 GPRESSURE: 1359800 -181.899 92.9091 43.4111 130.215 -227.503 110.674 -88.1483 196.646 213.577 PRESSAVG: 1359800 5.7068 0.546484 -10.2817 0.546491 -14.8735 -11.8911 -10.2817 -11.8911 -23.9555 GPRESSAVG: 1359800 6.13938 2.10489 -10.3057 -0.97086 -14.6533 -12.4687 -10.221 -11.0956 -24.4567 TIMING: 1359800 CPU: 4297.71, 0.00315903/step Wall: 4297.71, 0.00315903/step, 3.1943 hours remaining, 233.082031 MB of memory in use. ENERGY: 1359800 4013.2789 20427.2100 14414.6125 251.5027 -203378.3437 2801.5911 0.0000 0.0000 52135.7736 -109334.3749 299.6250 -161470.1485 -108965.3356 299.1170 -92.6768 -65.2751 763184.3554 -11.0407 -10.9902 PRESSURE: 1360000 -97.8837 -37.2283 274.669 -37.2288 78.4765 125.167 274.668 125.167 -193.569 GPRESSURE: 1360000 -1.95738 38.0735 238.629 106.179 22.0023 196.82 185.117 61.2158 -144.274 PRESSAVG: 1360000 70.1998 65.9175 20.0389 65.9175 -34.9306 26.1761 20.0389 26.1761 0.354369 GPRESSAVG: 1360000 71.3866 63.5435 19.4928 67.6568 -35.3253 27.7748 19.2639 26.6035 -0.326144 TIMING: 1360000 CPU: 4298.34, 0.00315914/step Wall: 4298.34, 0.00315914/step, 3.19424 hours remaining, 233.082031 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: 1360000 4018.3508 20421.5656 14533.6211 230.6660 -203561.9285 2925.9904 0.0000 0.0000 52036.7985 -109394.9361 299.0562 -161431.7346 -109033.4830 299.2079 -70.9920 -41.4096 762822.7762 11.8745 11.9117 PRESSURE: 1360200 -220.894 17.6549 -121.243 17.6544 -562.574 -183.461 -121.243 -183.461 414.459 GPRESSURE: 1360200 -265.608 -121.603 -200.21 109.353 -403.093 -219.421 -58.9507 -170.41 388.763 PRESSAVG: 1360200 0.475244 -33.2671 -49.1055 -33.2671 -25.4256 22.6787 -49.1055 22.6787 -14.3849 GPRESSAVG: 1360200 -0.532995 -33.4926 -49.0329 -33.5805 -25.763 22.9014 -51.443 22.5438 -13.5513 TIMING: 1360200 CPU: 4298.98, 0.00316109/step Wall: 4298.98, 0.00316109/step, 3.19604 hours remaining, 233.082031 MB of memory in use. ENERGY: 1360200 3926.2395 20648.6711 14502.1707 242.8690 -203165.6166 2542.4124 0.0000 0.0000 52172.9106 -109130.3433 299.8384 -161303.2539 -108765.4022 299.3773 -123.0029 -93.3128 762596.5324 -13.1118 -13.2824 LDB: ============= START OF LOAD BALANCING ============== 4311.51 LDB: ============== END OF LOAD BALANCING =============== 4311.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4311.51 LDB: ============= START OF LOAD BALANCING ============== 4311.83 LDB: Largest compute 7059 load 0.032537 is 16.6% of average load 0.195430 LDB: Average compute 0.004396 is 2.2% of average load 0.195430 LDB: TIME 4311.83 LOAD: AVG 0.19543 MAX 0.217711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 4311.83 LOAD: AVG 0.19543 MAX 0.217711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: TIME 4311.83 LOAD: AVG 0.19543 MAX 0.217711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.086 MB LDB: ============== END OF LOAD BALANCING =============== 4311.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4311.84 PRESSURE: 1360400 -655.81 -78.1901 -142.213 -78.19 -267.761 -18.9238 -142.213 -18.9239 -384.951 GPRESSURE: 1360400 -583.187 -110.692 -126.776 -152.956 -305.797 -4.92178 -176.217 -51.7423 -330.043 PRESSAVG: 1360400 -0.241262 7.04608 27.0758 7.04609 1.26013 6.22736 27.0758 6.22734 -0.939337 GPRESSAVG: 1360400 0.190621 8.11447 28.419 5.2005 1.11544 4.11129 29.407 6.47072 -0.521816 TIMING: 1360400 CPU: 4299.62, 0.00322669/step Wall: 4299.62, 0.00322669/step, 3.26218 hours remaining, 233.906250 MB of memory in use. ENERGY: 1360400 4024.4921 20615.7842 14602.7426 247.7536 -203002.5402 2468.8813 0.0000 0.0000 51917.8869 -109124.9994 298.3728 -161042.8863 -108776.8650 299.3021 -436.1738 -406.3421 764419.4054 0.0265 0.2614 PRESSURE: 1360600 -24.9381 105.388 -186.795 105.388 -502.166 149.427 -186.795 149.426 -49.1672 GPRESSURE: 1360600 -6.10585 69.654 -214.394 -13.8308 -502.899 135.111 -141.2 28.2861 20.3762 PRESSAVG: 1360600 40.8821 -10.0587 17.8141 -10.0586 -29.521 -30.8717 17.8141 -30.8716 17.6959 GPRESSAVG: 1360600 41.4267 -10.9946 16.3941 -10.8343 -29.4946 -29.9597 18.6086 -31.108 17.6945 TIMING: 1360600 CPU: 4300.25, 0.00315989/step Wall: 4300.25, 0.00315989/step, 3.19447 hours remaining, 233.906250 MB of memory in use. ENERGY: 1360600 4117.2045 20513.4632 14512.7182 227.7497 -202746.1785 1985.1469 0.0000 0.0000 52086.6298 -109303.2662 299.3426 -161389.8960 -108941.1592 299.0256 -192.0906 -162.8761 762075.7292 9.6857 9.8756 PRESSURE: 1360800 103.973 90.6771 254.182 90.677 -11.0895 111.947 254.183 111.947 -350.669 GPRESSURE: 1360800 118.971 91.1663 263.739 35.4216 -41.8541 23.424 63.6197 161.257 -265.474 PRESSAVG: 1360800 81.0984 -24.8705 32.9823 -24.8704 -45.4777 -5.47557 32.9823 -5.47552 23.5012 GPRESSAVG: 1360800 81.7565 -25.3925 33.244 -24.7568 -45.2747 -6.26074 31.8917 -5.27435 22.4868 TIMING: 1360800 CPU: 4300.88, 0.00315231/step Wall: 4300.88, 0.00315231/step, 3.18664 hours remaining, 233.906250 MB of memory in use. ENERGY: 1360800 4042.6645 20562.3904 14502.0775 248.9890 -203755.8828 2857.4227 0.0000 0.0000 52141.2547 -109401.0840 299.6565 -161542.3387 -109038.1806 299.6420 -85.9284 -62.7854 762955.0010 19.7073 19.6562 PRESSURE: 1361000 -129.285 27.1324 -53.0515 27.1328 -13.2731 41.4795 -53.0514 41.4798 273.473 GPRESSURE: 1361000 -160.974 29.2309 -97.9006 -27.6486 59.0656 55.4304 32.9311 4.19228 322.823 PRESSAVG: 1361000 30.4968 -41.436 -17.6477 -41.436 -26.6594 43.8557 -17.6477 43.8557 -13.3297 GPRESSAVG: 1361000 30.0036 -39.7723 -16.8233 -42.2051 -26.045 44.5873 -18.5065 44.2447 -13.5886 TIMING: 1361000 CPU: 4301.52, 0.00315384/step Wall: 4301.52, 0.00315384/step, 3.188 hours remaining, 233.906250 MB of memory in use. ENERGY: 1361000 3939.1582 20628.9736 14543.4021 246.7762 -203424.2868 2583.7124 0.0000 0.0000 51780.9162 -109701.3482 297.5856 -161482.2644 -109333.4976 298.8051 43.6385 73.6382 762885.3560 -3.1641 -3.2100 PRESSURE: 1361200 -170.171 27.7919 390.929 27.7926 -88.4086 36.8276 390.928 36.8275 -134.268 GPRESSURE: 1361200 -138.922 9.70113 451.088 66.153 -32.4391 139.276 277.106 223.492 -125.412 PRESSAVG: 1361200 15.8681 21.4345 -7.92178 21.4346 -18.4964 0.424317 -7.92182 0.424285 0.70777 GPRESSAVG: 1361200 15.2917 19.275 -10.0312 24.9002 -18.5177 3.32721 -6.8143 -1.62496 1.70238 TIMING: 1361200 CPU: 4302.15, 0.0031579/step Wall: 4302.15, 0.0031579/step, 3.19193 hours remaining, 233.972656 MB of memory in use. ENERGY: 1361200 3967.6907 20537.7110 14523.8401 255.8304 -203408.2340 2438.7768 0.0000 0.0000 52136.2663 -109548.1187 299.6278 -161684.3850 -109172.9485 298.3330 -130.9492 -98.9242 761142.6322 -0.6402 -0.5079 PRESSURE: 1361400 -32.1787 15.2097 -183.72 15.2087 -124.413 81.7121 -183.72 81.7124 -297.794 GPRESSURE: 1361400 46.6526 25.9555 -149.262 -31.83 -195.344 83.38 -110.506 29.0177 -231.22 PRESSAVG: 1361400 -1.68882 10.224 13.8941 10.2241 -23.9382 10.6399 13.8941 10.64 -13.4308 GPRESSAVG: 1361400 -0.283483 10.9324 16.1759 8.90081 -24.4824 8.67845 12.7635 11.8717 -13.8911 TIMING: 1361400 CPU: 4302.78, 0.00315686/step Wall: 4302.78, 0.00315686/step, 3.1907 hours remaining, 233.972656 MB of memory in use. ENERGY: 1361400 4042.9646 20579.5801 14394.6530 249.8057 -203185.4148 2372.2528 0.0000 0.0000 51984.3965 -109561.7621 298.7550 -161546.1586 -109195.0808 298.8818 -151.4617 -126.6371 761926.0236 -13.0193 -12.8856 PRESSURE: 1361600 7.59791 -218.815 -33.1324 -218.815 88.2127 201.133 -33.1319 201.134 -288.571 GPRESSURE: 1361600 60.5304 -104.333 -47.5702 -125.374 71.227 219.871 -20.1038 153.475 -244.514 PRESSAVG: 1361600 48.3362 29.0183 -30.1658 29.0183 -7.54391 -3.71906 -30.1659 -3.71905 -3.70052 GPRESSAVG: 1361600 47.1614 30.2116 -30.778 29.6107 -6.1366 -3.13206 -29.8245 -2.26635 -3.78416 TIMING: 1361600 CPU: 4303.42, 0.00318528/step Wall: 4303.42, 0.00318528/step, 3.21926 hours remaining, 233.972656 MB of memory in use. ENERGY: 1361600 3998.2796 20489.8713 14483.5031 244.5578 -203889.8523 2975.0420 0.0000 0.0000 51979.4047 -109719.1938 298.7264 -161698.5985 -109355.3657 298.3185 -64.2533 -37.5856 762207.9993 12.3639 12.4135 PRESSURE: 1361800 -29.1631 208.136 176.924 208.135 -58.5471 -84.0081 176.922 -84.0073 -65.8259 GPRESSURE: 1361800 64.2537 140.013 114.405 101.01 -65.1539 -107.711 231.506 -66.1413 -51.501 PRESSAVG: 1361800 -18.7859 -51.33 -6.54503 -51.3301 41.8473 -13.1733 -6.54506 -13.1733 8.58399 GPRESSAVG: 1361800 -19.7503 -51.4535 -8.24794 -52.1821 41.61 -12.3658 -4.47685 -15.0005 9.83514 TIMING: 1361800 CPU: 4304.05, 0.00316556/step Wall: 4304.05, 0.00316557/step, 3.19916 hours remaining, 233.972656 MB of memory in use. ENERGY: 1361800 3889.4397 20422.3351 14577.3098 237.1252 -203393.8709 2631.3712 0.0000 0.0000 51948.6785 -109687.6115 298.5498 -161636.2899 -109325.8500 298.5050 -51.1787 -17.4671 763197.4028 10.5484 10.5649 PRESSURE: 1362000 40.5309 -5.67335 -116.97 -5.67285 -133.176 121.502 -116.97 121.503 -137.016 GPRESSURE: 1362000 36.0283 40.9475 -92.1735 122.1 -97.0853 209.785 -133.831 33.3135 -110.887 PRESSAVG: 1362000 16.0814 14.2831 12.8539 14.2831 -4.97169 -36.8226 12.8539 -36.8227 -22.2983 GPRESSAVG: 1362000 17.5265 14.4361 14.2619 13.7034 -6.57246 -39.0832 8.46428 -35.2055 -22.1775 TIMING: 1362000 CPU: 4304.68, 0.00316229/step Wall: 4304.68, 0.00316229/step, 3.19567 hours remaining, 233.972656 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: 1362000 3953.4050 20346.8993 14555.7253 237.6369 -203330.3097 2719.0346 0.0000 0.0000 51862.4947 -109655.1140 298.0545 -161517.6087 -109287.8978 298.3764 -76.5535 -57.3146 763209.7111 -3.7295 -3.7412 PRESSURE: 1362200 152.792 127.093 -63.5354 127.092 -47.0945 118.759 -63.5354 118.758 -49.6962 GPRESSURE: 1362200 93.1284 103.308 -63.6682 211.246 -7.72 55.5471 -101.635 42.8341 67.7262 PRESSAVG: 1362200 -20.2892 36.8084 73.7508 36.8083 0.910769 31.4875 73.7508 31.4875 4.25349 GPRESSAVG: 1362200 -20.3441 36.1745 73.46 38.9703 1.07311 31.3917 76.188 30.9167 4.28041 TIMING: 1362200 CPU: 4305.31, 0.00315167/step Wall: 4305.31, 0.00315167/step, 3.18477 hours remaining, 233.972656 MB of memory in use. ENERGY: 1362200 3969.6259 20504.9572 14419.9301 258.7184 -203759.1123 3022.1437 0.0000 0.0000 51844.7713 -109738.9656 297.9526 -161583.7370 -109386.2417 298.2055 18.6671 51.0449 762670.0467 -5.0417 -4.9968 PRESSURE: 1362400 -493.957 -23.897 -214.491 -23.8972 -118.215 56.5859 -214.491 56.5858 -294.25 GPRESSURE: 1362400 -432.752 -48.8604 -231.077 54.7515 -34.6876 -34.7344 -146.832 79.6917 -337.515 PRESSAVG: 1362400 44.7524 4.24454 -4.21926 4.24449 15.0821 4.60613 -4.21929 4.60604 -14.7852 GPRESSAVG: 1362400 45.1232 6.37105 -4.39213 2.57124 16.1013 7.33273 -4.66121 4.14531 -16.0414 TIMING: 1362400 CPU: 4305.94, 0.00315367/step Wall: 4305.94, 0.00315367/step, 3.18661 hours remaining, 233.972656 MB of memory in use. ENERGY: 1362400 3972.9734 20637.1656 14550.7622 263.8815 -203209.3765 2340.4731 0.0000 0.0000 51867.2933 -109576.8273 298.0820 -161444.1206 -109213.9565 298.5640 -302.1406 -268.3184 761862.4277 15.0164 15.0610 PRESSURE: 1362600 118.735 196.28 -1.36768 196.28 25.5917 -107.466 -1.36764 -107.467 501.834 GPRESSURE: 1362600 122.403 33.4264 54.8673 110.407 64.588 -241.333 9.70756 15.464 556.405 PRESSAVG: 1362600 -22.3011 -8.88556 -59.8888 -8.88558 45.2717 -23.8025 -59.8888 -23.8025 -20.1724 GPRESSAVG: 1362600 -21.4806 -10.1507 -59.9776 -9.43101 44.9314 -25.2338 -56.7747 -22.1375 -20.8641 TIMING: 1362600 CPU: 4306.58, 0.00317188/step Wall: 4306.58, 0.00317188/step, 3.20483 hours remaining, 233.972656 MB of memory in use. ENERGY: 1362600 3947.9121 20612.4055 14489.5128 256.5679 -203323.4036 2787.9050 0.0000 0.0000 51860.2586 -109368.8417 298.0416 -161229.1002 -109004.8426 298.9353 215.3871 247.7985 763425.1087 0.9327 0.8623 PRESSURE: 1362800 -56.8622 37.9471 137.224 37.947 327.682 55.3982 137.225 55.3977 559.398 GPRESSURE: 1362800 139.987 3.06306 161.254 39.325 310.669 4.12994 101.2 170.108 473.145 PRESSAVG: 1362800 8.94429 -7.59902 -23.1602 -7.59905 30.9952 25.7762 -23.1603 25.7761 13.1378 GPRESSAVG: 1362800 7.09261 -8.28597 -21.6479 -8.48307 31.0444 25.7796 -26.0431 24.0327 14.3624 TIMING: 1362800 CPU: 4307.21, 0.00317801/step Wall: 4307.21, 0.00317801/step, 3.21085 hours remaining, 233.972656 MB of memory in use. ENERGY: 1362800 3959.7688 20576.9557 14551.0673 251.6500 -203329.4354 2649.4234 0.0000 0.0000 51837.9187 -109502.6515 297.9132 -161340.5702 -109135.7581 298.7524 276.7394 307.9335 761830.1088 17.6924 17.4998 PRESSURE: 1363000 169.651 -78.4632 43.7122 -78.4629 237.859 -175.61 43.7121 -175.611 131.773 GPRESSURE: 1363000 258.536 22.7352 155.214 -66.6219 212.896 -94.2872 75.8605 -248.136 141.486 PRESSAVG: 1363000 -41.9018 -0.976758 4.94424 -0.976838 -4.34321 18.5878 4.94428 18.5878 6.35307 GPRESSAVG: 1363000 -40.5522 1.27474 4.20268 -1.63388 -5.68037 19.1395 6.36747 19.3311 6.57289 TIMING: 1363000 CPU: 4307.85, 0.00318799/step Wall: 4307.85, 0.00318799/step, 3.22076 hours remaining, 233.972656 MB of memory in use. ENERGY: 1363000 4055.0760 20468.8286 14579.1790 252.2534 -203950.7717 3051.6223 0.0000 0.0000 51982.1010 -109561.7115 298.7418 -161543.8124 -109205.8443 298.6462 179.7610 204.3061 763637.2315 -13.2973 -13.2199 PRESSURE: 1363200 -167.088 -144.08 55.3238 -144.08 -147.886 268.844 55.323 268.843 87.7118 GPRESSURE: 1363200 -141.597 -119.789 -70.8731 -119.888 -52.1042 305.585 124.907 211.267 58.3344 PRESSAVG: 1363200 -6.64422 20.6933 -16.8932 20.6933 -19.3448 -10.9401 -16.8932 -10.9401 4.57151 GPRESSAVG: 1363200 -7.52898 20.4321 -17.8814 22.7972 -18.2326 -11.7545 -19.4612 -9.39802 4.7685 TIMING: 1363200 CPU: 4308.48, 0.0031605/step Wall: 4308.48, 0.0031605/step, 3.19281 hours remaining, 233.972656 MB of memory in use. ENERGY: 1363200 4009.1835 20485.7006 14542.5341 246.3860 -203414.0301 2692.5176 0.0000 0.0000 51900.2637 -109537.4446 298.2715 -161437.7083 -109173.9128 298.8883 -75.7540 -45.1221 765525.3811 -7.1392 -6.9977 PRESSURE: 1363400 -28.0624 6.17873 -153.231 6.1784 -85.6567 -107.989 -153.232 -107.988 -178.867 GPRESSURE: 1363400 24.6207 -31.5139 -173.333 2.00372 -42.0793 -74.7799 -24.0031 -33.1528 -215.552 PRESSAVG: 1363400 12.5716 3.58901 1.40321 3.58905 5.37306 28.2262 1.40328 28.2262 3.58257 GPRESSAVG: 1363400 12.5606 2.84204 2.32212 2.587 5.96943 28.3781 2.52852 25.5504 2.77552 TIMING: 1363400 CPU: 4309.11, 0.00314784/step Wall: 4309.11, 0.00314784/step, 3.17985 hours remaining, 233.972656 MB of memory in use. ENERGY: 1363400 3934.4282 20420.9163 14568.2894 263.6709 -203362.4631 2815.1529 0.0000 0.0000 52100.5857 -109259.4197 299.4228 -161360.0054 -108882.8031 299.0843 -97.5286 -77.6704 766221.1424 7.1757 7.1018 PRESSURE: 1363600 -100.404 -168.182 -123.483 -168.182 -36.3788 -95.1678 -123.483 -95.168 10.8632 GPRESSURE: 1363600 -3.08242 -139.095 -116.748 -261.313 -55.2591 -78.6793 -270.235 -39.197 39.9186 PRESSAVG: 1363600 24.2536 -57.0653 2.36234 -57.0653 3.98893 38.5766 2.36233 38.5766 4.54097 GPRESSAVG: 1363600 25.9564 -58.049 1.04595 -57.1908 4.05707 38.9932 2.27836 39.3929 2.99671 TIMING: 1363600 CPU: 4309.74, 0.00316064/step Wall: 4309.74, 0.00316064/step, 3.19259 hours remaining, 233.972656 MB of memory in use. ENERGY: 1363600 3974.5396 20308.3447 14561.0541 276.9970 -203081.3090 2680.2221 0.0000 0.0000 52125.5188 -109154.6328 299.5661 -161280.1516 -108788.3250 299.4002 -41.9732 -6.1410 764350.2456 10.9278 11.0034 PRESSURE: 1363800 72.4736 -59.4579 178.941 -59.4574 -334.933 233.135 178.942 233.136 -106.977 GPRESSURE: 1363800 55.1411 -46.4093 221.949 5.444 -245.103 225.542 139.353 141.616 -114.013 PRESSAVG: 1363800 20.051 -46.8192 -47.7773 -46.8192 -21.5581 27.3036 -47.7773 27.3037 0.964924 GPRESSAVG: 1363800 17.9455 -45.0014 -46.5416 -45.417 -21.2911 26.485 -48.4468 28.5164 2.37285 TIMING: 1363800 CPU: 4310.38, 0.00316842/step Wall: 4310.38, 0.00316842/step, 3.20028 hours remaining, 233.972656 MB of memory in use. ENERGY: 1363800 4088.1553 20386.9012 14534.7938 242.3431 -203014.5480 2593.2595 0.0000 0.0000 52080.3056 -109088.7894 299.3062 -161169.0950 -108720.3990 299.0555 -123.1456 -101.3250 762963.0827 -0.1807 -0.3243 PRESSURE: 1364000 179.513 -206.415 -46.2409 -206.415 183.171 109.092 -46.2406 109.093 39.2336 GPRESSURE: 1364000 176.124 -118.158 47.9982 -134.775 215.912 181.754 -10.2663 15.6643 101.181 PRESSAVG: 1364000 -16.1244 -23.9207 19.1311 -23.9207 -3.44411 83.1331 19.1311 83.1331 3.42846 GPRESSAVG: 1364000 -16.1058 -26.452 18.3874 -23.9421 -2.96434 82.6484 21.335 82.3486 2.13692 TIMING: 1364000 CPU: 4311.01, 0.00316496/step Wall: 4311.01, 0.00316496/step, 3.19661 hours remaining, 233.972656 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: 1364000 3925.4182 20505.3704 14493.5633 253.7924 -203379.3404 2977.9231 0.0000 0.0000 51920.2855 -109302.9876 298.3866 -161223.2731 -108935.4103 299.3880 133.9725 164.4055 762532.3852 -5.3800 -5.6444 PRESSURE: 1364200 -78.4189 43.7087 -63.2957 43.7097 -41.997 160.506 -63.2951 160.506 354.759 GPRESSURE: 1364200 -0.242849 67.0817 -113.459 73.2732 0.594824 136.721 -68.0067 211.797 317.836 PRESSAVG: 1364200 14.6513 5.12106 -10.0221 5.12109 -7.46745 41.977 -10.0221 41.9771 -11.6237 GPRESSAVG: 1364200 15.3164 7.01267 -9.47573 2.33931 -7.74631 43.3643 -11.9726 39.7363 -11.4221 TIMING: 1364200 CPU: 4311.64, 0.00315605/step Wall: 4311.64, 0.00315605/step, 3.18744 hours remaining, 233.972656 MB of memory in use. ENERGY: 1364200 3987.9849 20454.6877 14545.1340 254.0514 -203118.0021 2712.6183 0.0000 0.0000 52050.6480 -109112.8778 299.1358 -161163.5258 -108744.9676 299.4320 78.1145 106.0626 764386.7188 -1.4799 -1.2840 LDB: ============= START OF LOAD BALANCING ============== 4324.18 LDB: ============== END OF LOAD BALANCING =============== 4324.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4324.18 LDB: ============= START OF LOAD BALANCING ============== 4324.49 LDB: Largest compute 7041 load 0.030050 is 15.4% of average load 0.195468 LDB: Average compute 0.004394 is 2.2% of average load 0.195468 LDB: TIME 4324.5 LOAD: AVG 0.195468 MAX 0.215158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.352 MB LDB: TIME 4324.5 LOAD: AVG 0.195468 MAX 0.215158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: TIME 4324.5 LOAD: AVG 0.195468 MAX 0.215158 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.352 MB LDB: ============== END OF LOAD BALANCING =============== 4324.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4324.51 PRESSURE: 1364400 22.1542 -169.84 124.11 -169.841 110.588 -67.1493 124.11 -67.1491 5.46163 GPRESSURE: 1364400 52.6481 -168.185 57.937 -113.519 176.44 -50.9883 107.539 -146.773 -6.54951 PRESSAVG: 1364400 25.7714 37.9303 7.80605 37.9303 5.65947 15.6228 7.80603 15.6226 5.1241 GPRESSAVG: 1364400 24.7151 35.2025 7.01982 40.3844 5.60564 15.1999 9.12808 16.3662 6.66817 TIMING: 1364400 CPU: 4312.29, 0.00323723/step Wall: 4312.29, 0.00323723/step, 3.26924 hours remaining, 234.785156 MB of memory in use. ENERGY: 1364400 4009.4935 20455.8647 14491.5359 240.4732 -203086.8865 2744.4198 0.0000 0.0000 52217.7303 -108927.3690 300.0960 -161145.0993 -108563.7268 299.6702 46.0681 74.1795 765781.8798 12.1850 12.3296 PRESSURE: 1364600 -171.381 -39.3644 66.2751 -39.364 25.8943 134.246 66.2747 134.247 73.1081 GPRESSURE: 1364600 12.9069 -2.56751 105.457 -35.1437 -34.7322 51.5496 -20.1161 190.573 38.234 PRESSAVG: 1364600 4.31198 44.236 -4.52257 44.236 -40.5197 29.8792 -4.52258 29.8792 -3.71738 GPRESSAVG: 1364600 5.92392 45.8022 -3.82814 43.9086 -41.54 30.3761 -5.88759 30.0239 -4.73523 TIMING: 1364600 CPU: 4312.92, 0.0031737/step Wall: 4312.92, 0.0031737/step, 3.20491 hours remaining, 234.988281 MB of memory in use. ENERGY: 1364600 3985.9526 20481.6865 14454.6089 248.2487 -203584.6208 3100.0857 0.0000 0.0000 52314.2037 -108999.8347 300.6504 -161314.0384 -108635.8660 300.2844 -24.1264 5.4696 763052.9988 -13.3084 -13.4504 PRESSURE: 1364800 426.34 -208.886 -68.3084 -208.886 -119.893 312.285 -68.3096 312.285 112.663 GPRESSURE: 1364800 433.079 -230.169 -174.724 -137.352 -43.1539 360.279 -52.6268 248.414 107.419 PRESSAVG: 1364800 80.716 18.856 28.3681 18.856 -100.582 -3.19022 28.3681 -3.19013 -2.284 GPRESSAVG: 1364800 79.6178 17.4855 27.6602 22.2694 -99.4091 -4.94312 29.7524 -2.67535 -2.22516 TIMING: 1364800 CPU: 4313.55, 0.00315385/step Wall: 4313.55, 0.00315385/step, 3.18469 hours remaining, 234.988281 MB of memory in use. ENERGY: 1364800 3976.4341 20572.7328 14541.2778 256.6505 -203556.8641 2782.9229 0.0000 0.0000 52337.6421 -109089.2038 300.7851 -161426.8459 -108723.3978 299.7527 139.7033 165.7816 760866.1946 -7.3833 -7.3388 PRESSURE: 1365000 -338.391 214.317 -18.0249 214.317 -90.8427 21.3042 -18.0248 21.3033 -97.7573 GPRESSURE: 1365000 -412.411 117.879 67.6092 101.893 33.0032 -66.4783 12.2351 -29.3623 -73.4682 PRESSAVG: 1365000 14.2885 -4.69819 -28.5294 -4.69822 -56.7407 22.2746 -28.5293 22.2746 -1.8304 GPRESSAVG: 1365000 15.1681 -3.55465 -28.5842 -6.86835 -58.579 24.8954 -29.3544 20.2073 -0.941703 TIMING: 1365000 CPU: 4314.19, 0.00316107/step Wall: 4314.19, 0.00316107/step, 3.1918 hours remaining, 234.988281 MB of memory in use. ENERGY: 1365000 3985.0938 20495.5458 14476.6218 247.3521 -203409.2265 2676.6840 0.0000 0.0000 52220.9506 -109306.9784 300.1145 -161527.9291 -108946.7139 299.4486 -175.6636 -150.9588 764861.1789 -14.7609 -14.7842 PRESSURE: 1365200 167.258 -241.156 268.126 -241.156 -188.107 -182.219 268.126 -182.219 27.3521 GPRESSURE: 1365200 237.349 -311.044 305.105 -187.834 -68.9081 -230.542 178.583 6.35775 -62.0027 PRESSAVG: 1365200 39.0006 -23.6903 25.9992 -23.6903 -67.0445 34.5517 25.9992 34.5517 18.2014 GPRESSAVG: 1365200 39.1397 -25.0821 27.1508 -23.5039 -66.1095 33.6655 25.4843 35.8519 17.919 TIMING: 1365200 CPU: 4314.82, 0.0031671/step Wall: 4314.82, 0.0031671/step, 3.19772 hours remaining, 234.988281 MB of memory in use. ENERGY: 1365200 4036.2176 20554.4360 14472.0058 256.4976 -203012.9296 2657.4508 0.0000 0.0000 52030.8490 -109005.4728 299.0220 -161036.3218 -108644.9969 299.2136 2.1675 35.4794 763277.9421 -3.2809 -3.0169 PRESSURE: 1365400 20.7282 -113.944 -60.3984 -113.944 -278.6 161.349 -60.3979 161.348 -246.55 GPRESSURE: 1365400 22.7701 -112.527 -13.0706 -110.879 -206.978 156.192 -171.828 64.4664 -249.776 PRESSAVG: 1365400 113.799 -24.8354 -38.477 -24.8354 -133.455 -16.8426 -38.477 -16.8427 3.37281 GPRESSAVG: 1365400 113.042 -22.8877 -38.0062 -25.2155 -132.867 -16.6423 -37.6292 -15.2479 3.76531 TIMING: 1365400 CPU: 4315.45, 0.00315588/step Wall: 4315.45, 0.00315588/step, 3.18622 hours remaining, 234.988281 MB of memory in use. ENERGY: 1365400 4048.6244 20635.2307 14504.2782 258.4056 -203275.8227 2586.0176 0.0000 0.0000 52240.8534 -109002.4129 300.2289 -161243.2662 -108641.0426 299.9080 -168.1408 -144.6611 763249.7096 -5.4276 -5.3533 PRESSURE: 1365600 -228.648 -184.719 -164.413 -184.72 -327.977 -133.889 -164.413 -133.889 385.545 GPRESSURE: 1365600 -80.8813 -204.862 -161.868 -145.444 -349.928 -118.97 -119.586 -208.768 357.074 PRESSAVG: 1365600 60.4038 1.56297 10.7849 1.56298 -59.1974 -14.9803 10.7849 -14.9803 31.0267 GPRESSAVG: 1365600 60.4658 1.59061 9.50496 2.17832 -59.5743 -14.9804 11.6917 -17.3052 31.1365 TIMING: 1365600 CPU: 4316.09, 0.0031903/step Wall: 4316.09, 0.0031903/step, 3.22078 hours remaining, 234.988281 MB of memory in use. ENERGY: 1365600 4051.8756 20665.0494 14556.2226 255.0030 -202867.4020 2338.6935 0.0000 0.0000 51997.7038 -109002.8541 298.8315 -161000.5579 -108643.2075 299.9056 -57.0268 -24.5785 762536.5019 10.7444 10.6760 PRESSURE: 1365800 137.233 -79.5966 -5.29723 -79.5963 -470.083 265.468 -5.29734 265.468 7.75769 GPRESSURE: 1365800 150.223 -125.284 29.7017 -105.659 -446.694 207.263 2.47872 395.255 62.4437 PRESSAVG: 1365800 114.748 -9.45143 -26.6864 -9.45146 -114.597 12.0896 -26.6864 12.0895 15.2862 GPRESSAVG: 1365800 115.342 -12.107 -26.5971 -10.0124 -115.16 12.6673 -28.127 13.615 15.0267 TIMING: 1365800 CPU: 4316.73, 0.00318502/step Wall: 4316.73, 0.00318502/step, 3.21528 hours remaining, 234.988281 MB of memory in use. ENERGY: 1365800 4043.8962 20717.4706 14530.2005 255.2885 -203169.3570 2413.7489 0.0000 0.0000 52014.1497 -109194.6027 298.9260 -161208.7524 -108823.9179 299.6702 -108.3641 -78.0093 762575.4937 5.1457 5.0695 PRESSURE: 1366000 -370.393 -113.621 -106.698 -113.621 -286.86 55.2945 -106.699 55.2939 -31.0074 GPRESSURE: 1366000 -322.455 -205.853 -108.652 -64.3877 -337.609 0.089168 -166.767 79.0179 47.993 PRESSAVG: 1366000 98.2395 -93.9923 -3.45046 -93.9923 -65.1966 0.0561795 -3.45046 0.0561369 1.10184 GPRESSAVG: 1366000 96.581 -93.5549 -2.16851 -93.7558 -63.6089 -1.69086 -3.10458 -1.17457 1.29265 TIMING: 1366000 CPU: 4317.36, 0.00316526/step Wall: 4317.36, 0.00316526/step, 3.19516 hours remaining, 234.988281 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: 1366000 3989.8889 20555.1420 14529.9035 249.0773 -203064.5787 2387.3678 0.0000 0.0000 52167.0686 -109186.1306 299.8049 -161353.1992 -108823.3111 298.8862 -229.4201 -204.0237 763143.5438 11.3816 11.4216 PRESSURE: 1366200 -258.285 67.6975 -131.107 67.6971 -275.833 11.7732 -131.107 11.7732 -302.553 GPRESSURE: 1366200 -223.254 81.0144 -130.803 27.3513 -174.415 23.2531 -18.7669 -49.0389 -363.705 PRESSAVG: 1366200 42.6802 -33.6745 -42.0926 -33.6745 -39.7783 -14.0122 -42.0925 -14.0121 -9.7522 GPRESSAVG: 1366200 42.9615 -32.679 -43.4455 -33.7156 -40.2997 -11.8124 -40.6264 -12.5398 -9.14584 TIMING: 1366200 CPU: 4317.99, 0.00317802/step Wall: 4317.99, 0.00317802/step, 3.20786 hours remaining, 234.988281 MB of memory in use. ENERGY: 1366200 3988.9760 20538.3272 14502.4212 254.0473 -202769.5890 2244.2424 0.0000 0.0000 51835.2216 -109406.3534 297.8977 -161241.5750 -109043.7840 298.3012 -278.8901 -253.7916 762055.1402 -2.2834 -2.1613 PRESSURE: 1366400 -455.477 -143.772 148.313 -143.772 -136.751 -33.1087 148.312 -33.1075 -103.385 GPRESSURE: 1366400 -383.116 -125.064 99.7174 -148.499 -167.52 -35.6707 40.6087 23.0977 -82.6599 PRESSAVG: 1366400 77.4024 -34.0941 -24.452 -34.0942 -31.1778 26.2384 -24.452 26.2384 -0.428706 GPRESSAVG: 1366400 77.776 -35.0941 -22.8945 -33.4677 -31.4277 26.0104 -27.6627 24.9174 -0.649766 TIMING: 1366400 CPU: 4318.63, 0.00315909/step Wall: 4318.63, 0.00315909/step, 3.18857 hours remaining, 234.988281 MB of memory in use. ENERGY: 1366400 3945.7814 20437.1479 14509.5289 245.6922 -202822.5711 2308.2012 0.0000 0.0000 52017.9737 -109358.2458 298.9480 -161376.2195 -108994.2211 298.7631 -231.8710 -211.0985 763342.6787 15.2653 15.2329 PRESSURE: 1366600 12.503 -1.10971 -98.6374 -1.10933 194.981 0.260642 -98.6372 0.260616 -18.1885 GPRESSURE: 1366600 134.54 -60.0297 -44.3397 103.085 218.268 -24.1304 19.5049 4.52103 -62.8755 PRESSAVG: 1366600 31.6613 -12.5122 -53.8695 -12.5122 -67.1937 -5.82904 -53.8695 -5.82902 -5.95309 GPRESSAVG: 1366600 32.0661 -14.6614 -54.3367 -12.0251 -67.4348 -6.66861 -53.0129 -4.74486 -6.41957 TIMING: 1366600 CPU: 4319.26, 0.0031697/step Wall: 4319.26, 0.0031697/step, 3.1991 hours remaining, 234.988281 MB of memory in use. ENERGY: 1366600 3948.2124 20470.5335 14535.9454 252.7049 -203368.2843 2750.9182 0.0000 0.0000 51984.5718 -109425.3983 298.7560 -161409.9701 -109057.2873 298.9981 63.0984 96.6441 761222.9271 -13.8285 -13.9294 PRESSURE: 1366800 17.7914 -98.1521 87.1791 -98.1525 -109.356 71.9379 87.1788 71.938 -185.333 GPRESSURE: 1366800 125.859 -25.602 114.549 -33.4526 -93.6489 110.81 10.114 49.8972 -217.144 PRESSAVG: 1366800 6.98555 -53.5682 -8.37199 -53.5681 -20.7669 22.7756 -8.37204 22.7755 4.24938 GPRESSAVG: 1366800 6.39655 -50.9248 -8.67366 -54.6264 -20.5162 22.7088 -7.50475 22.4747 4.50083 TIMING: 1366800 CPU: 4319.89, 0.00316995/step Wall: 4319.89, 0.00316995/step, 3.19918 hours remaining, 234.988281 MB of memory in use. ENERGY: 1366800 3887.8211 20548.3765 14533.8818 237.8720 -203487.3092 2695.9011 0.0000 0.0000 52056.9845 -109526.4720 299.1722 -161583.4566 -109168.0878 298.4484 -92.2992 -61.6448 763986.6271 -3.1773 -3.2063 PRESSURE: 1367000 -281.439 -219.487 -6.88417 -219.486 -51.3961 50.1826 -6.88393 50.1828 -23.0192 GPRESSURE: 1367000 -350.714 -111.459 -14.2204 -240.927 155.655 81.0766 -36.9886 140.879 -96.2425 PRESSAVG: 1367000 43.8667 -40.2534 -50.6347 -40.2534 1.18965 -9.97588 -50.6347 -9.97589 34.837 GPRESSAVG: 1367000 44.461 -39.5132 -50.3029 -41.4474 1.68193 -8.19167 -51.9048 -8.99746 33.8262 TIMING: 1367000 CPU: 4320.53, 0.00319832/step Wall: 4320.53, 0.00319832/step, 3.22764 hours remaining, 234.988281 MB of memory in use. ENERGY: 1367000 3986.6868 20289.8285 14537.0133 255.6409 -202918.3706 2344.3458 0.0000 0.0000 51905.6091 -109599.2463 298.3022 -161504.8554 -109237.1262 298.1161 -118.6182 -97.1005 762061.8593 26.6311 26.6564 PRESSURE: 1367200 -13.3418 -106.368 -193.18 -106.368 166.277 -187.665 -193.18 -187.664 -187.009 GPRESSURE: 1367200 -23.725 -99.3342 -138.606 -115.756 223.212 -217.16 -163.276 -197.195 -161.476 PRESSAVG: 1367200 49.81 -40.9474 -36.177 -40.9474 18.7792 -43.8609 -36.177 -43.8609 -14.9187 GPRESSAVG: 1367200 49.3661 -40.9138 -36.9943 -39.6686 18.0798 -44.9148 -35.497 -43.6301 -13.5773 TIMING: 1367200 CPU: 4321.17, 0.00317544/step Wall: 4321.17, 0.00317544/step, 3.20437 hours remaining, 234.988281 MB of memory in use. ENERGY: 1367200 3939.5665 20528.5135 14496.5226 245.0874 -202852.4334 2270.5300 0.0000 0.0000 51825.3161 -109546.8974 297.8408 -161372.2135 -109181.9298 298.2132 -11.3578 12.6704 762728.7939 17.8902 17.9562 PRESSURE: 1367400 79.5303 113.918 -91.8902 113.918 -95.0004 -20.4167 -91.8903 -20.4161 -73.9882 GPRESSURE: 1367400 78.0829 150.696 -81.5688 150.746 32.1611 -106.31 -59.5842 25.2575 -102.115 PRESSAVG: 1367400 27.8204 -10.1679 -40.3704 -10.1679 -15.3772 -4.24129 -40.3703 -4.24134 19.9392 GPRESSAVG: 1367400 27.5894 -10.2536 -39.6501 -10.2206 -15.0261 -4.61074 -40.7289 -4.16236 19.9399 TIMING: 1367400 CPU: 4321.8, 0.00317279/step Wall: 4321.8, 0.00317279/step, 3.20152 hours remaining, 234.988281 MB of memory in use. ENERGY: 1367400 3917.4295 20644.5717 14495.6938 264.8650 -203284.4310 2602.6127 0.0000 0.0000 51927.7804 -109431.4780 298.4297 -161359.2583 -109074.7079 298.2132 -29.8194 2.7096 761374.7674 10.7941 10.8344 PRESSURE: 1367600 183.957 93.664 224.52 93.6641 -40.8245 -136.639 224.52 -136.638 -136.157 GPRESSURE: 1367600 205.639 27.4164 250.023 47.1712 -52.6223 -142.847 184.764 -136.079 -72.5826 PRESSAVG: 1367600 13.5215 -5.28615 -4.06561 -5.28617 -34.8977 43.5976 -4.06561 43.5975 1.39224 GPRESSAVG: 1367600 13.3314 -6.29504 -5.28023 -4.18151 -34.4626 42.3044 -2.95469 43.0298 1.26141 TIMING: 1367600 CPU: 4322.43, 0.00315448/step Wall: 4322.43, 0.00315448/step, 3.18287 hours remaining, 234.988281 MB of memory in use. ENERGY: 1367600 4037.7485 20324.2315 14563.1647 262.5772 -203642.9753 2894.3376 0.0000 0.0000 52080.7981 -109480.1177 299.3091 -161560.9158 -109111.0902 298.7273 2.3252 26.8113 761901.4718 -6.6613 -6.6233 PRESSURE: 1367800 -128.705 2.90123 -23.5257 2.90213 -363.999 -78.044 -23.5251 -78.0453 -211.681 GPRESSURE: 1367800 -54.3955 91.0371 -33.8579 -35.7211 -374.667 -119.412 -60.1422 -178.268 -194.463 PRESSAVG: 1367800 53.7758 48.7432 -12.5524 48.7432 -43.794 -23.8493 -12.5524 -23.8493 -18.1944 GPRESSAVG: 1367800 54.6051 49.62 -12.6742 47.5659 -44.5401 -24.3333 -15.8919 -25.1201 -17.9281 TIMING: 1367800 CPU: 4323.07, 0.00316241/step Wall: 4323.07, 0.00316241/step, 3.1907 hours remaining, 234.988281 MB of memory in use. ENERGY: 1367800 4015.4119 20568.0099 14534.4296 262.2862 -203030.8733 2381.4109 0.0000 0.0000 51926.3264 -109342.9984 298.4213 -161269.3248 -108982.7069 299.1778 -234.7949 -207.8418 762520.5062 -2.7375 -2.6210 PRESSURE: 1368000 -57.4266 -18.5095 -148.609 -18.5102 -72.533 172.071 -148.608 172.072 -3.32706 GPRESSURE: 1368000 -34.1442 -9.40031 -89.8337 -30.0333 -35.9799 119.009 -153.335 76.243 17.8989 PRESSAVG: 1368000 62.7823 4.85877 -21.2823 4.85874 -49.6858 -6.18209 -21.2823 -6.18212 3.92896 GPRESSAVG: 1368000 63.6352 4.33982 -21.9646 6.43996 -50.475 -3.83332 -19.5253 -5.66538 3.89325 TIMING: 1368000 CPU: 4323.7, 0.003177/step Wall: 4323.7, 0.003177/step, 3.20524 hours remaining, 234.988281 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: 1368000 3974.5946 20494.5504 14525.2110 257.3674 -203299.1212 2596.3647 0.0000 0.0000 51996.8339 -109454.1992 298.8265 -161451.0331 -109088.9232 299.1719 -44.4289 -17.4084 764198.3167 5.6752 5.6845 PRESSURE: 1368200 -264.501 11.3821 39.0416 11.382 -96.9653 -113.854 39.041 -113.854 -54.4167 GPRESSURE: 1368200 -199.251 -84.2559 -8.07772 65.093 -61.1317 -70.1817 64.3248 -117.826 -77.8615 PRESSAVG: 1368200 -42.9517 -16.3129 -30.2157 -16.3129 -2.02848 -6.96541 -30.2159 -6.96542 14.4989 GPRESSAVG: 1368200 -42.4485 -15.8711 -31.4164 -17.2523 -1.13033 -6.61635 -28.1101 -9.1984 12.9966 TIMING: 1368200 CPU: 4324.33, 0.00316081/step Wall: 4324.33, 0.0031608/step, 3.18872 hours remaining, 234.988281 MB of memory in use. ENERGY: 1368200 4005.5764 20641.0192 14540.5231 251.5231 -203727.0826 2856.8191 0.0000 0.0000 52017.3595 -109414.2621 298.9445 -161431.6216 -109056.0278 298.8729 -138.6277 -112.7481 762808.6835 -10.1604 -10.1941 LDB: ============= START OF LOAD BALANCING ============== 4336.87 LDB: ============== END OF LOAD BALANCING =============== 4336.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4336.87 LDB: ============= START OF LOAD BALANCING ============== 4337.19 LDB: Largest compute 7060 load 0.030773 is 15.8% of average load 0.195336 LDB: Average compute 0.004378 is 2.2% of average load 0.195336 LDB: TIME 4337.19 LOAD: AVG 0.195336 MAX 0.216016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 4337.19 LOAD: AVG 0.195336 MAX 0.216016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 4337.19 LOAD: AVG 0.195336 MAX 0.216016 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 4337.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4337.2 PRESSURE: 1368400 -245.483 1.48214 -203.656 1.48232 103.391 -121.67 -203.657 -121.669 -233.109 GPRESSURE: 1368400 -182.631 41.0942 -99.4143 66.0388 127.505 -94.9285 -173.359 -15.2311 -218.239 PRESSAVG: 1368400 18.9948 30.8129 -40.3276 30.8129 -1.8865 38.5654 -40.3276 38.5654 -7.09008 GPRESSAVG: 1368400 16.4401 30.6095 -38.8434 31.7698 -0.848126 38.2258 -42.895 41.0582 -5.45719 TIMING: 1368400 CPU: 4324.98, 0.00322467/step Wall: 4324.98, 0.00322467/step, 3.25298 hours remaining, 233.437500 MB of memory in use. ENERGY: 1368400 3941.2287 20585.2897 14467.6590 239.6009 -203553.5394 2617.2698 0.0000 0.0000 52216.8278 -109485.6634 300.0908 -161702.4913 -109119.6155 299.3652 -125.0670 -91.1213 764622.2660 3.3394 3.3783 PRESSURE: 1368600 35.0454 86.2342 -173.234 86.2333 -48.7096 293.308 -173.233 293.308 132.093 GPRESSURE: 1368600 86.6123 26.2751 -199.18 169.503 21.6322 260.664 -249.763 130.921 113.168 PRESSAVG: 1368600 -15.3479 22.781 -24.3006 22.781 16.3284 12.1767 -24.3006 12.1767 -1.52251 GPRESSAVG: 1368600 -13.9982 20.6629 -24.7602 22.595 15.8716 12.6167 -24.6725 9.75645 -2.82547 TIMING: 1368600 CPU: 4325.61, 0.00315798/step Wall: 4325.61, 0.00315799/step, 3.18553 hours remaining, 233.640625 MB of memory in use. ENERGY: 1368600 4003.8911 20524.3912 14498.6371 256.9760 -203289.9650 2673.6235 0.0000 0.0000 51807.5360 -109524.9102 297.7386 -161332.4462 -109155.1228 298.3526 39.4764 73.8043 763675.2534 -0.1807 -0.3173 PRESSURE: 1368800 -19.0985 -348.516 52.937 -348.516 -259.722 205.587 52.9374 205.587 -29.4842 GPRESSURE: 1368800 -57.552 -339.025 110.766 -420.861 -206.899 174.288 57.8443 199.856 14.0319 PRESSAVG: 1368800 -20.0306 -14.1045 -21.4044 -14.1044 -5.6672 28.5851 -21.4044 28.5852 -17.1948 GPRESSAVG: 1368800 -20.4557 -12.1197 -21.1175 -14.446 -5.87254 27.984 -20.7122 32.4224 -17.0394 TIMING: 1368800 CPU: 4326.25, 0.00316943/step Wall: 4326.25, 0.00316943/step, 3.19689 hours remaining, 233.640625 MB of memory in use. ENERGY: 1368800 3978.0044 20725.7920 14519.4366 231.2373 -203716.3902 2741.9628 0.0000 0.0000 52116.6883 -109403.2687 299.5153 -161519.9570 -109047.9265 298.8203 -102.7681 -83.4729 762229.8988 -14.2976 -14.4559 PRESSURE: 1369000 -270.469 129.815 -42.4065 129.814 69.6603 44.4821 -42.4057 44.4823 290.166 GPRESSURE: 1369000 -165.746 97.1673 -53.9815 131.663 9.53428 74.517 16.3873 90.0717 321.479 PRESSAVG: 1369000 -20.9595 -12.4925 -25.1106 -12.4925 39.6712 60.7753 -25.1106 60.7752 13.7584 GPRESSAVG: 1369000 -20.2758 -12.8241 -24.8695 -13.0226 39.0736 60.4811 -24.9737 58.727 14.1873 TIMING: 1369000 CPU: 4326.87, 0.00314837/step Wall: 4326.87, 0.00314837/step, 3.17548 hours remaining, 233.640625 MB of memory in use. ENERGY: 1369000 3937.4721 20738.4143 14504.8625 238.9616 -203605.4579 2804.8414 0.0000 0.0000 52228.0940 -109152.8119 300.1556 -161380.9059 -108784.4574 299.4925 29.7856 55.0892 761614.6265 10.8233 10.9950 PRESSURE: 1369200 -136.782 -153.522 -190.224 -153.522 -230.826 -51.8409 -190.223 -51.841 -513.013 GPRESSURE: 1369200 -73.1785 -132.541 -149.113 -102.421 -293.022 -93.4217 -204.334 -34.9704 -441.702 PRESSAVG: 1369200 62.0768 52.8784 2.83733 52.8784 -49.9252 -8.96059 2.83734 -8.96056 11.058 GPRESSAVG: 1369200 60.9599 52.4855 2.36848 56.7769 -49.0514 -9.70281 5.3756 -8.17625 11.6746 TIMING: 1369200 CPU: 4327.51, 0.00317137/step Wall: 4327.51, 0.00317137/step, 3.1985 hours remaining, 233.640625 MB of memory in use. ENERGY: 1369200 4069.3556 20775.3058 14508.5451 244.2783 -203048.0983 2627.4008 0.0000 0.0000 52069.8989 -108753.3139 299.2464 -160823.2128 -108395.9062 300.0371 -293.5400 -269.3009 765330.8139 7.7365 7.8611 PRESSURE: 1369400 -62.8068 305.087 287.5 305.086 -16.4928 100.451 287.5 100.452 119.56 GPRESSURE: 1369400 -1.57971 246.596 256.196 312.031 -7.27394 77.4325 308.413 119.195 126.748 PRESSAVG: 1369400 42.8645 46.5591 -7.61376 46.5591 -48.6915 28.1051 -7.61382 28.1052 13.8187 GPRESSAVG: 1369400 43.6011 46.5722 -7.43861 42.7313 -48.0991 29.4348 -9.24004 25.4893 12.5895 TIMING: 1369400 CPU: 4328.14, 0.0031605/step Wall: 4328.14, 0.0031605/step, 3.18736 hours remaining, 233.640625 MB of memory in use. ENERGY: 1369400 4057.4505 20611.6711 14528.8220 266.2188 -203243.0107 2756.5946 0.0000 0.0000 52257.0454 -108765.2082 300.3220 -161022.2536 -108390.9899 300.2011 13.4201 39.2980 762337.8435 2.6639 2.6972 PRESSURE: 1369600 352.545 -0.7684 97.0045 -0.769049 425.37 -68.0834 97.0049 -68.0833 403.823 GPRESSURE: 1369600 387.902 6.90186 26.2821 -24.5655 415.604 -78.4044 48.9962 50.506 476.782 PRESSAVG: 1369600 29.1124 50.4691 2.76462 50.469 -21.6748 39.1953 2.76465 39.1952 11.4856 GPRESSAVG: 1369600 28.6988 51.828 2.58466 50.0425 -21.3712 39.4972 3.52921 41.7026 11.1988 TIMING: 1369600 CPU: 4328.77, 0.00315491/step Wall: 4328.77, 0.00315491/step, 3.18155 hours remaining, 233.640625 MB of memory in use. ENERGY: 1369600 3976.0758 20630.4302 14531.1508 251.7020 -203635.8723 3263.4248 0.0000 0.0000 52307.6691 -108675.4195 300.6129 -160983.0886 -108322.6103 299.8963 393.9130 426.7625 761724.7091 6.3077 6.1755 PRESSURE: 1369800 4.85009 37.9755 24.7117 37.9747 -139.695 74.9857 24.7114 74.9853 25.4687 GPRESSURE: 1369800 19.153 -77.5718 61.4236 -8.80674 -93.7153 50.6005 -30.794 100.774 52.7163 PRESSAVG: 1369800 -26.6819 -26.7658 -44.8317 -26.7658 12.624 27.9257 -44.8318 27.9257 14.2112 GPRESSAVG: 1369800 -26.491 -29.0093 -44.0545 -26.5963 12.6233 26.4504 -47.9708 27.9371 13.9369 TIMING: 1369800 CPU: 4329.41, 0.00316463/step Wall: 4329.41, 0.00316463/step, 3.19118 hours remaining, 233.640625 MB of memory in use. ENERGY: 1369800 4038.7927 20571.8629 14501.0737 235.9774 -203301.0438 2748.1706 0.0000 0.0000 52478.2126 -108726.9540 301.5930 -161205.1666 -108367.8274 300.4563 -36.4587 -7.2820 763843.3896 0.0511 0.0231 PRESSURE: 1370000 -207.931 -119.282 100.545 -119.281 9.15383 -38.088 100.545 -38.0887 269.853 GPRESSURE: 1370000 -94.0316 -216.571 193.018 -36.7955 -15.3846 -54.4599 -5.07887 -57.9779 269.67 PRESSAVG: 1370000 41.4929 -3.15321 5.72756 -3.1532 12.7879 23.005 5.72762 23.0051 -1.23575 GPRESSAVG: 1370000 42.2447 -2.30963 6.99055 -2.66892 11.9844 23.1376 8.06171 22.3966 -1.05018 TIMING: 1370000 CPU: 4330.04, 0.00315457/step Wall: 4330.04, 0.00315457/step, 3.18086 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: 1370000 4055.9229 20688.8124 14542.0403 246.5360 -202713.8292 2494.5895 0.0000 0.0000 51938.1159 -108747.8121 298.4891 -160685.9280 -108384.3935 299.6716 23.6920 53.4179 764003.4014 17.6817 17.7263 PRESSURE: 1370200 264.419 17.5853 164.799 17.5848 234.337 -146.25 164.8 -146.25 38.7857 GPRESSURE: 1370200 226.195 -60.4969 102.378 87.2219 254.464 -205.887 122.279 -246.278 132.176 PRESSAVG: 1370200 22.8422 -25.9409 6.68527 -25.941 0.119929 -63.811 6.68529 -63.811 4.57449 GPRESSAVG: 1370200 22.3491 -25.5577 5.28432 -25.0801 -0.316381 -65.3112 5.56324 -61.3902 5.17047 TIMING: 1370200 CPU: 4330.67, 0.00315382/step Wall: 4330.67, 0.00315382/step, 3.17992 hours remaining, 233.640625 MB of memory in use. ENERGY: 1370200 3961.6016 20643.7518 14543.1641 245.0761 -203233.6215 2841.3960 0.0000 0.0000 52438.1305 -108560.5014 301.3627 -160998.6320 -108189.0239 299.8953 179.1807 204.2784 763709.2379 9.1789 9.0677 PRESSURE: 1370400 170.816 -12.6116 -76.6271 -12.6108 -179.962 78.6426 -76.627 78.6417 307.139 GPRESSURE: 1370400 200.547 34.7514 -185.878 6.39444 -124.419 164.137 -92.6724 97.4159 301.849 PRESSAVG: 1370400 -16.1962 22.9699 -24.3888 22.9699 -29.7703 -6.85131 -24.3887 -6.85124 5.28842 GPRESSAVG: 1370400 -16.8405 22.529 -24.724 24.2087 -29.2253 -6.44744 -24.5932 -7.99697 5.55329 TIMING: 1370400 CPU: 4331.29, 0.00313988/step Wall: 4331.29, 0.00313988/step, 3.1657 hours remaining, 233.640625 MB of memory in use. ENERGY: 1370400 4069.0639 20589.4064 14542.7158 241.3782 -203524.5760 2899.7436 0.0000 0.0000 52382.9746 -108799.2934 301.0457 -161182.2681 -108430.4954 300.2833 99.3312 125.9923 762458.9164 -13.5594 -13.5042 PRESSURE: 1370600 -158.936 -19.4038 51.8542 -19.4044 78.0924 -154.09 51.8535 -154.091 -251.907 GPRESSURE: 1370600 -7.58642 98.9655 10.8528 -51.9079 47.022 -181.718 53.1605 -220.297 -296.317 PRESSAVG: 1370600 46.706 1.7045 -31.2258 1.70445 7.16267 37.8348 -31.2258 37.8349 14.7434 GPRESSAVG: 1370600 48.2517 0.478168 -28.5407 1.25168 6.6687 38.687 -31.1785 36.5286 14.1084 TIMING: 1370600 CPU: 4331.92, 0.00314799/step Wall: 4331.92, 0.00314799/step, 3.1737 hours remaining, 233.640625 MB of memory in use. ENERGY: 1370600 4106.3719 20729.5108 14512.0703 251.9830 -203413.7375 2864.6001 0.0000 0.0000 51991.3857 -108957.8159 298.7952 -160949.2016 -108597.0180 300.1949 -110.9168 -85.6271 761939.7621 22.8707 23.0096 PRESSURE: 1370800 17.2374 -126.216 -40.1642 -126.215 29.2303 19.8184 -40.1644 19.8194 61.1142 GPRESSURE: 1370800 59.0912 -8.93376 -63.9067 -115.006 71.3233 4.71074 -125.364 70.8618 56.131 PRESSAVG: 1370800 1.8949 3.73985 -46.2004 3.73993 35.1379 24.8619 -46.2005 24.8619 1.12453 GPRESSAVG: 1370800 1.75688 4.01293 -48.5866 3.17155 34.8114 25.1546 -45.7346 24.6057 1.97319 TIMING: 1370800 CPU: 4332.55, 0.00313091/step Wall: 4332.55, 0.00313091/step, 3.1563 hours remaining, 233.640625 MB of memory in use. ENERGY: 1370800 3989.3796 20554.7692 14523.3282 248.2523 -203289.3655 2722.2154 0.0000 0.0000 52310.8538 -108940.5671 300.6312 -161251.4209 -108574.1493 300.0752 35.8606 62.1818 762079.1112 12.7191 12.8471 PRESSURE: 1371000 -173.78 -12.1172 39.9792 -12.1166 214.378 -124.006 39.9785 -124.007 3.43332 GPRESSURE: 1371000 -152.929 0.834402 34.2778 -116.133 223.749 -121.603 35.1993 -189.847 61.353 PRESSAVG: 1371000 -30.7436 -16.936 -2.95336 -16.936 10.5234 50.5955 -2.95336 50.5956 12.4824 GPRESSAVG: 1371000 -32.8911 -14.6331 -1.95794 -19.5859 12.6867 51.4002 -3.6774 50.3542 13.0659 TIMING: 1371000 CPU: 4333.18, 0.00314712/step Wall: 4333.18, 0.00314712/step, 3.17248 hours remaining, 233.640625 MB of memory in use. ENERGY: 1371000 3909.6972 20711.5302 14536.9594 227.9066 -203010.5469 2548.6223 0.0000 0.0000 52320.8207 -108755.0106 300.6885 -161075.8312 -108381.6958 299.9012 14.6769 44.0577 762357.3102 -2.5793 -2.3795 PRESSURE: 1371200 -94.3204 78.6051 142.37 78.6064 -394.506 126.938 142.369 126.939 151.461 GPRESSURE: 1371200 -55.1835 144.313 156.095 58.6478 -286.248 94.9694 14.9893 61.3436 85.0552 PRESSAVG: 1371200 13.1668 15.3744 -16.128 15.3744 10.4904 6.08882 -16.128 6.08882 -13.8458 GPRESSAVG: 1371200 14.2348 15.408 -16.7573 16.2485 10.1243 3.10376 -16.798 7.12572 -14.4503 TIMING: 1371200 CPU: 4333.81, 0.00314917/step Wall: 4333.81, 0.00314917/step, 3.17436 hours remaining, 233.640625 MB of memory in use. ENERGY: 1371200 3928.0976 20556.9821 14549.6781 256.0614 -202853.5981 2522.7406 0.0000 0.0000 52071.2282 -108968.8102 299.2541 -161040.0384 -108604.7970 300.2978 -112.4551 -85.4588 762521.6948 3.2705 3.3029 PRESSURE: 1371400 217.409 80.6345 131.659 80.6342 -40.7706 58.2534 131.659 58.2541 -301.114 GPRESSURE: 1371400 235.612 133.035 173.055 38.0182 -24.7068 30.1148 85.6155 23.8543 -243.123 PRESSAVG: 1371400 12.0465 17.8901 -54.0643 17.8902 -41.7101 14.5241 -54.0644 14.5241 9.63157 GPRESSAVG: 1371400 12.8324 14.2687 -54.2275 18.4737 -41.5567 16.0258 -53.0488 16.5184 9.35425 TIMING: 1371400 CPU: 4334.44, 0.00315938/step Wall: 4334.44, 0.00315938/step, 3.18448 hours remaining, 233.640625 MB of memory in use. ENERGY: 1371400 3965.4544 20524.0555 14520.9022 245.2166 -203010.9298 2611.3269 0.0000 0.0000 51902.3380 -109241.6361 298.2835 -161143.9742 -108892.2458 298.9298 -41.4918 -10.7391 761893.9739 -6.6774 -6.4567 PRESSURE: 1371600 -191.708 -217.603 -206.848 -217.603 153.485 139.351 -206.848 139.352 -180.379 GPRESSURE: 1371600 -20.0285 -178.048 -240.329 -259.221 153.823 129.067 -148.216 79.2412 -270.021 PRESSAVG: 1371600 -48.7466 -50.299 -15.9931 -50.299 4.59368 -17.0666 -15.9931 -17.0667 -11.5628 GPRESSAVG: 1371600 -48.3799 -47.7173 -16.2379 -52.2146 4.50661 -17.0382 -15.7806 -17.8069 -11.3317 TIMING: 1371600 CPU: 4335.08, 0.00316753/step Wall: 4335.08, 0.00316753/step, 3.19251 hours remaining, 233.640625 MB of memory in use. ENERGY: 1371600 3964.6239 20538.1759 14487.7725 237.7921 -202836.1263 2539.2258 0.0000 0.0000 51743.3834 -109325.1527 297.3699 -161068.5361 -108964.1132 298.9631 -72.8672 -45.4090 761582.3271 -18.5719 -18.4017 PRESSURE: 1371800 188.428 144.225 241.266 144.225 279.862 -7.33522 241.267 -7.33569 581.242 GPRESSURE: 1371800 221.861 98.3804 159.897 163.241 355.574 27.5772 208.619 -17.4781 544.653 PRESSAVG: 1371800 10.7663 -27.4206 -35.0814 -27.4206 -12.0509 6.20681 -35.0813 6.20683 -2.94274 GPRESSAVG: 1371800 9.85635 -28.4491 -34.6567 -26.5948 -11.1947 4.61589 -35.8052 5.75802 -3.27836 TIMING: 1371800 CPU: 4335.71, 0.00318393/step Wall: 4335.71, 0.00318393/step, 3.20887 hours remaining, 233.640625 MB of memory in use. ENERGY: 1371800 3880.4004 20578.4020 14554.2364 243.8219 -203617.3286 3052.5979 0.0000 0.0000 51710.9798 -109596.8902 297.1837 -161307.8700 -109243.6749 298.5476 349.8439 374.0291 759997.0897 -1.4091 -1.5389 PRESSURE: 1372000 556.752 35.9368 -30.161 35.9376 47.3572 -152.567 -30.1603 -152.567 34.8131 GPRESSURE: 1372000 508.364 -0.870259 -103.918 -9.01876 139.857 -134.342 -9.40421 -167.253 65.0928 PRESSAVG: 1372000 9.71645 -1.88107 -6.73146 -1.88105 -44.3238 -15.02 -6.73144 -15.02 9.56166 GPRESSAVG: 1372000 10.5319 -1.89903 -6.78995 -1.39648 -44.6871 -15.6442 -4.54237 -12.4687 8.99019 TIMING: 1372000 CPU: 4336.35, 0.00317003/step Wall: 4336.35, 0.00317003/step, 3.19469 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: 1372000 3928.6621 20347.2764 14503.6599 265.6869 -202961.4760 2242.4056 0.0000 0.0000 51998.5090 -109675.2762 298.8361 -161673.7852 -109304.8064 297.9063 212.9740 237.7712 760216.5480 -8.3486 -8.3884 PRESSURE: 1372200 -10.6193 -120.999 -10.6416 -121 250.192 -234.972 -10.642 -234.972 -27.4088 GPRESSURE: 1372200 21.7172 -237.242 -49.3689 -6.66475 259.823 -253.877 -99.5364 -100.363 15.991 PRESSAVG: 1372200 15.1925 -61.0223 -20.8275 -61.0222 -17.9979 -36.9888 -20.8275 -36.9888 -12.9598 GPRESSAVG: 1372200 13.872 -61.5934 -20.6908 -59.6271 -17.0781 -34.7046 -22.5818 -39.5117 -12.5939 TIMING: 1372200 CPU: 4336.98, 0.00315284/step Wall: 4336.98, 0.00315284/step, 3.17719 hours remaining, 233.640625 MB of memory in use. ENERGY: 1372200 3915.2418 20436.0363 14586.1715 256.1620 -203146.9583 2611.0355 0.0000 0.0000 51898.1989 -109444.1124 298.2597 -161342.3113 -109084.9694 298.6020 70.7214 99.1772 760856.5186 -5.2551 -5.2667 LDB: ============= START OF LOAD BALANCING ============== 4349.51 LDB: ============== END OF LOAD BALANCING =============== 4349.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4349.51 LDB: ============= START OF LOAD BALANCING ============== 4349.83 LDB: Largest compute 7068 load 0.029799 is 15.3% of average load 0.195382 LDB: Average compute 0.004408 is 2.3% of average load 0.195382 LDB: TIME 4349.83 LOAD: AVG 0.195382 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.367 MB LDB: TIME 4349.83 LOAD: AVG 0.195382 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.57 MB LDB: TIME 4349.83 LOAD: AVG 0.195382 MAX 0.214777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.57 MB LDB: ============== END OF LOAD BALANCING =============== 4349.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4349.84 PRESSURE: 1372400 -107.893 6.79629 98.2935 6.79597 74.4845 -226.344 98.2936 -226.345 -63.1788 GPRESSURE: 1372400 -39.9261 10.3869 87.1313 -64.9992 24.649 -133.377 115.899 -177.02 -1.28571 PRESSAVG: 1372400 18.5321 -19.146 -18.1195 -19.146 10.4362 5.24089 -18.1196 5.24087 -10.3334 GPRESSAVG: 1372400 19.6915 -16.396 -18.3011 -21.3031 8.76603 4.54417 -17.8059 6.116 -9.75758 TIMING: 1372400 CPU: 4337.62, 0.00322446/step Wall: 4337.62, 0.00322446/step, 3.24918 hours remaining, 234.726562 MB of memory in use. ENERGY: 1372400 3888.1577 20378.3376 14539.9607 247.2041 -203100.2095 2546.1324 0.0000 0.0000 52009.5629 -109490.8541 298.8997 -161500.4170 -109120.4188 298.6943 -32.1957 -5.5210 761789.4449 6.2116 6.2333 PRESSURE: 1372600 265.676 -29.367 -153.501 -29.3663 -491.215 -71.6535 -153.501 -71.6539 296.661 GPRESSURE: 1372600 186.929 -48.2238 -133.744 -112.657 -361.138 -198.236 -204.129 -30.4634 301.953 PRESSAVG: 1372600 4.80605 -28.6481 -27.5962 -28.6481 -22.0573 -0.297693 -27.5963 -0.297568 4.32819 GPRESSAVG: 1372600 3.59998 -31.5014 -28.1807 -27.6417 -19.8338 -2.45498 -26.8479 0.736267 3.68572 TIMING: 1372600 CPU: 4338.25, 0.00315752/step Wall: 4338.25, 0.00315752/step, 3.18155 hours remaining, 234.929688 MB of memory in use. ENERGY: 1372600 3934.7056 20524.5822 14500.3961 248.0398 -202754.4043 2250.8148 0.0000 0.0000 51844.9670 -109450.8988 297.9537 -161295.8658 -109089.9349 298.5563 23.7072 42.5812 761243.7037 -4.3077 -4.1827 PRESSURE: 1372800 -300.63 -204.033 215.157 -204.033 -193.884 -11.5805 215.158 -11.5799 7.90125 GPRESSURE: 1372800 -273.024 -150.281 255.435 -123.897 -136.726 -4.95101 141.528 -85.7216 -3.82886 PRESSAVG: 1372800 29.6108 -17.429 -17.4788 -17.429 -47.7591 1.71918 -17.4788 1.7191 11.2268 GPRESSAVG: 1372800 29.8211 -15.1356 -17.0626 -17.853 -47.0463 3.30238 -19.38 0.392562 10.7209 TIMING: 1372800 CPU: 4338.88, 0.00314955/step Wall: 4338.88, 0.00314955/step, 3.17335 hours remaining, 234.929688 MB of memory in use. ENERGY: 1372800 3969.5374 20643.2248 14503.3136 244.8156 -202637.9021 2367.6201 0.0000 0.0000 51729.5067 -109179.8841 297.2902 -160909.3907 -108817.4608 298.7508 -162.2042 -137.8598 764168.6383 -2.3072 -2.1681 PRESSURE: 1373000 -319.878 101.712 -166.331 101.712 257.069 -124.917 -166.331 -124.917 322.04 GPRESSURE: 1373000 -193.893 43.2003 -151.042 231.53 256.74 -59.6511 -182.064 -53.8792 284.478 PRESSAVG: 1373000 111.714 -14.2309 28.0481 -14.2308 -106.809 7.76602 28.0481 7.76601 1.02188 GPRESSAVG: 1373000 113.016 -17.2692 27.9898 -13.1045 -107.953 7.92194 29.0049 6.55702 0.756467 TIMING: 1373000 CPU: 4339.51, 0.00314517/step Wall: 4339.51, 0.00314517/step, 3.16876 hours remaining, 234.929688 MB of memory in use. ENERGY: 1373000 3961.2615 20419.3018 14504.4935 251.8026 -203142.9975 2613.0719 0.0000 0.0000 52235.5480 -109157.5184 300.1984 -161393.0664 -108801.8299 299.4146 86.4100 115.7751 763634.0369 1.9758 1.9397 PRESSURE: 1373200 680.638 -68.9421 -100.331 -68.942 53.2923 165.972 -100.331 165.972 52.2916 GPRESSURE: 1373200 586.06 47.2727 1.72443 -102.545 169.207 86.7037 -36.1906 79.7511 111.049 PRESSAVG: 1373200 4.56761 -7.91753 -52.6163 -7.9175 23.6812 -6.79379 -52.6162 -6.79387 -0.531921 GPRESSAVG: 1373200 4.46902 -6.884 -51.711 -7.01952 23.1291 -5.99914 -52.943 -6.9905 0.272267 TIMING: 1373200 CPU: 4340.15, 0.00316755/step Wall: 4340.15, 0.00316755/step, 3.19113 hours remaining, 234.929688 MB of memory in use. ENERGY: 1373200 3957.5308 20433.4631 14490.0403 233.4506 -203441.3750 2908.3577 0.0000 0.0000 52233.8361 -109184.6965 300.1886 -161418.5326 -108818.4966 299.1310 262.0738 288.7722 761932.5923 9.2390 9.2901 PRESSURE: 1373400 -37.7901 -74.0526 -298.741 -74.0536 -415.043 -32.6321 -298.741 -32.6316 -52.1426 GPRESSURE: 1373400 -25.7963 -60.2236 -250.988 -45.8126 -394.138 -9.26423 -215.237 -89.4005 2.20302 PRESSAVG: 1373400 51.8598 -38.5747 -38.6022 -38.5748 -73.3432 -2.51987 -38.6022 -2.51981 12.0923 GPRESSAVG: 1373400 51.1012 -37.7154 -38.48 -38.5191 -72.6291 -2.48379 -37.468 -3.14364 11.8151 TIMING: 1373400 CPU: 4340.78, 0.00316008/step Wall: 4340.78, 0.00316008/step, 3.18343 hours remaining, 234.929688 MB of memory in use. ENERGY: 1373400 3994.0132 20455.2903 14548.0560 251.3239 -202842.3291 2501.6270 0.0000 0.0000 52253.3771 -108838.6415 300.3009 -161092.0186 -108471.3817 299.6878 -168.3252 -139.2438 763740.8044 -3.1303 -3.2376 PRESSURE: 1373600 -169.001 65.2108 42.9951 65.2108 26.8738 88.2309 42.9956 88.2318 196.303 GPRESSURE: 1373600 -174.485 -13.9698 85.8459 122.25 68.4087 136.955 -17.5247 108.378 245.449 PRESSAVG: 1373600 -28.8536 5.50749 -44.5854 5.50753 -25.4495 43.9082 -44.5853 43.9082 -4.1691 GPRESSAVG: 1373600 -30.1649 5.88935 -45.1647 4.74207 -25.6443 42.6922 -46.0274 45.3564 -3.26207 TIMING: 1373600 CPU: 4341.41, 0.0031568/step Wall: 4341.41, 0.0031568/step, 3.17995 hours remaining, 234.929688 MB of memory in use. ENERGY: 1373600 3905.1597 20461.1554 14542.6939 254.8611 -203161.5589 2652.6247 0.0000 0.0000 52480.6504 -108864.4137 301.6070 -161345.0642 -108499.6757 299.9104 18.0586 46.4573 762469.8070 -19.4907 -19.6904 PRESSURE: 1373800 137.345 -159.851 33.1652 -159.85 -179.441 -33.7026 33.1655 -33.7028 585.447 GPRESSURE: 1373800 158.28 -168.509 15.3451 -226.136 -58.1102 -37.7392 -75.1841 -38.7925 531.089 PRESSAVG: 1373800 -6.95782 10.1562 1.7496 10.1562 2.58811 20.8667 1.74961 20.8667 -15.3985 GPRESSAVG: 1373800 -5.34234 7.93825 1.60003 9.63544 2.26158 21.5786 1.16449 20.971 -16.5112 TIMING: 1373800 CPU: 4342.04, 0.00316055/step Wall: 4342.04, 0.00316055/step, 3.18355 hours remaining, 234.929688 MB of memory in use. ENERGY: 1373800 4013.6943 20559.1392 14431.2349 236.7746 -203180.4449 2816.7472 0.0000 0.0000 52327.2138 -108795.6410 300.7252 -161122.8547 -108435.2793 300.1496 181.1170 210.4197 763281.7754 -6.5894 -6.5306 PRESSURE: 1374000 -46.6022 -126.242 262.345 -126.241 -40.0707 17.472 262.344 17.4714 138.559 GPRESSURE: 1374000 17.4913 -105.008 191.864 -88.4255 -70.6612 -24.5585 166.981 -17.0233 189.241 PRESSAVG: 1374000 6.35525 -16.4009 23.7229 -16.401 -9.32814 25.5671 23.7229 25.567 4.29128 GPRESSAVG: 1374000 4.53808 -15.6266 23.6036 -15.7794 -7.93496 26.8305 23.0445 25.4867 4.99954 TIMING: 1374000 CPU: 4342.67, 0.00315412/step Wall: 4342.67, 0.00315412/step, 3.1769 hours remaining, 234.929688 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: 1374000 4004.4959 20603.8427 14463.7398 259.0794 -203062.7768 2796.9703 0.0000 0.0000 52088.1076 -108846.5411 299.3511 -160934.6487 -108487.2944 300.1509 17.2953 45.3572 764470.5001 0.4395 0.5342 PRESSURE: 1374200 162.17 84.4434 94.5809 84.444 36.2873 105.802 94.5813 105.801 203.442 GPRESSURE: 1374200 201.827 112.45 113.04 139.146 72.6387 68.1863 155.79 174.042 213.814 PRESSAVG: 1374200 -4.72623 -7.87896 63.9888 -7.87895 66.4957 -26.7169 63.9887 -26.7169 13.5195 GPRESSAVG: 1374200 -3.90341 -5.34645 64.254 -8.65905 65.5906 -27.704 63.4168 -27.3232 13.6485 TIMING: 1374200 CPU: 4343.3, 0.00315088/step Wall: 4343.3, 0.00315088/step, 3.17346 hours remaining, 234.929688 MB of memory in use. ENERGY: 1374200 3954.9949 20507.4938 14561.7753 239.1886 -203117.7413 2648.3966 0.0000 0.0000 52159.0977 -109046.7945 299.7591 -161205.8922 -108675.7628 299.7247 133.9665 162.7598 762562.7342 25.0963 25.1119 PRESSURE: 1374400 -250.951 185.331 62.9736 185.331 -461.484 -21.5774 62.9729 -21.5778 -25.2277 GPRESSURE: 1374400 -332.662 149.127 70.6404 107.784 -396.017 -147.193 154.923 -76.6609 46.5434 PRESSAVG: 1374400 -46.3333 54.9202 11.3111 54.9202 13.3886 -12.2917 11.311 -12.2918 -6.81338 GPRESSAVG: 1374400 -44.9075 53.5397 10.0955 56.0891 12.0505 -11.4629 12.0269 -12.8422 -6.6098 TIMING: 1374400 CPU: 4343.93, 0.00315675/step Wall: 4343.93, 0.00315675/step, 3.1792 hours remaining, 234.929688 MB of memory in use. ENERGY: 1374400 4043.7421 20637.6900 14522.8830 232.3771 -203037.2453 2475.0908 0.0000 0.0000 52004.5787 -109120.8835 298.8710 -161125.4622 -108766.2455 298.7562 -245.8877 -227.3785 762726.1762 -13.2527 -13.1556 PRESSURE: 1374600 73.4615 53.3138 -84.2988 53.314 -116.123 65.2533 -84.2993 65.2538 244.892 GPRESSURE: 1374600 -70.3804 36.308 -68.0813 75.173 53.7321 -24.1152 -46.953 -31.2414 311.114 PRESSAVG: 1374600 -37.7689 43.5925 18.8685 43.5925 8.96752 11.3477 18.8685 11.3477 -12.3217 GPRESSAVG: 1374600 -38.6427 44.7929 19.9959 42.6885 9.00838 11.8519 21.38 10.8647 -11.069 TIMING: 1374600 CPU: 4344.56, 0.00315267/step Wall: 4344.56, 0.00315267/step, 3.17492 hours remaining, 234.929688 MB of memory in use. ENERGY: 1374600 3979.1743 20622.4153 14520.9725 265.1433 -203163.0751 2839.8237 0.0000 0.0000 52066.4246 -108869.1214 299.2265 -160935.5460 -108512.4217 299.5099 67.4102 98.1552 761685.0510 -13.7077 -13.5678 PRESSURE: 1374800 267.794 203.723 232.893 203.723 -188.233 -187.724 232.893 -187.724 36.9362 GPRESSURE: 1374800 287.428 222.404 61.9154 243.071 -67.0653 -304.301 231.439 -155.221 -10.2102 PRESSAVG: 1374800 18.0577 14.7258 -9.07313 14.7258 -4.53212 21.6983 -9.07309 21.6984 20.0392 GPRESSAVG: 1374800 17.6154 13.1829 -10.0727 16.0464 -2.18402 19.3565 -10.8752 22.3877 18.4981 TIMING: 1374800 CPU: 4345.19, 0.00315403/step Wall: 4345.19, 0.00315403/step, 3.17611 hours remaining, 234.929688 MB of memory in use. ENERGY: 1374800 4026.1138 20546.7288 14461.6609 254.1366 -203486.9736 3103.6566 0.0000 0.0000 52242.4296 -108852.2474 300.2380 -161094.6770 -108498.3808 300.3306 38.8321 70.0507 761496.9714 11.1883 11.3099 PRESSURE: 1375000 321.193 70.1486 -4.92838 70.1489 70.7299 -0.822517 -4.92784 -0.822548 -132.009 GPRESSURE: 1375000 402.228 23.3002 9.16041 49.1067 109.847 -38.166 87.0446 85.677 -171.579 PRESSAVG: 1375000 30.9846 30.2026 33.7585 30.2025 -19.0346 -29.5735 33.7584 -29.5735 -20.966 GPRESSAVG: 1375000 32.7113 30.2476 35.0458 29.3742 -20.547 -28.3578 35.5611 -30.6759 -21.0571 TIMING: 1375000 CPU: 4345.83, 0.00317366/step Wall: 4345.83, 0.00317366/step, 3.1957 hours remaining, 234.929688 MB of memory in use. ENERGY: 1375000 4004.3219 20583.4944 14422.1071 258.5048 -202890.0927 2462.6884 0.0000 0.0000 52158.4045 -109000.5715 299.7551 -161158.9760 -108635.3639 299.4216 86.6380 113.4988 762911.9725 -3.0053 -2.9643 PRESSURE: 1375200 -178.343 253.513 -50.7512 253.513 -78.5813 82.823 -50.7513 82.8239 27.7627 GPRESSURE: 1375200 -179.878 322.622 -141.401 169.387 -26.7393 22.7029 21.3056 154.092 46.1071 PRESSAVG: 1375200 52.3344 -6.64914 9.18063 -6.64915 -14.3613 64.9161 9.1806 64.9161 0.354229 GPRESSAVG: 1375200 51.6797 -7.36511 7.31966 -5.75292 -16.4403 64.6347 7.87126 67.7679 2.53891 TIMING: 1375200 CPU: 4346.46, 0.00315899/step Wall: 4346.46, 0.00315899/step, 3.18075 hours remaining, 234.929688 MB of memory in use. ENERGY: 1375200 4078.7201 20496.2029 14556.7157 236.5747 -203212.8666 2647.3691 0.0000 0.0000 52308.2230 -108889.0612 300.6161 -161197.2842 -108529.7583 299.7612 -76.3872 -53.5032 763517.2680 12.7758 12.5928 PRESSURE: 1375400 -21.4837 -143.839 136.193 -143.839 -176.055 -246.99 136.193 -246.99 376.741 GPRESSURE: 1375400 67.84 -35.1513 161.84 -125.837 -204.532 -186.505 153.348 -266.562 413.238 PRESSAVG: 1375400 -9.51836 -18.9435 49.1327 -18.9435 -6.46128 -56.0507 49.1327 -56.0507 29.622 GPRESSAVG: 1375400 -9.54984 -17.8999 49.8193 -18.6276 -4.31667 -55.8416 48.5098 -55.8852 27.5393 TIMING: 1375400 CPU: 4347.1, 0.00317625/step Wall: 4347.1, 0.00317625/step, 3.19795 hours remaining, 234.929688 MB of memory in use. ENERGY: 1375400 4010.7625 20360.8838 14514.9944 254.4001 -203012.3909 2702.4164 0.0000 0.0000 52185.8607 -108983.0731 299.9129 -161168.9338 -108613.2004 300.0199 59.7339 92.1820 762453.1466 4.5475 4.5576 PRESSURE: 1375600 62.5884 -57.8447 202.396 -57.8433 -54.6862 60.0191 202.396 60.0189 4.05599 GPRESSURE: 1375600 72.5965 -127.683 247.786 107.567 -42.4196 104.31 -8.21015 46.743 74.6689 PRESSAVG: 1375600 68.4725 -53.764 35.9105 -53.764 -56.59 5.50165 35.9105 5.5017 -15.5616 GPRESSAVG: 1375600 67.2186 -53.8275 37.4151 -54.2805 -54.5273 4.82445 35.7097 4.47022 -16.0844 TIMING: 1375600 CPU: 4347.73, 0.00318657/step Wall: 4347.73, 0.00318656/step, 3.20816 hours remaining, 234.929688 MB of memory in use. ENERGY: 1375600 3992.7585 20373.0403 14512.7174 262.1510 -202856.7700 2481.7629 0.0000 0.0000 52270.9179 -108963.4221 300.4017 -161234.3400 -108600.9792 299.7914 3.9861 34.9486 763195.4470 -1.2263 -1.1310 PRESSURE: 1375800 -74.6655 161.741 -88.0658 161.74 -145.128 -147.831 -88.0658 -147.83 121.062 GPRESSURE: 1375800 -64.2713 117.529 -71.4811 -0.497737 -166.073 -61.392 -90.8281 -91.3702 235.773 PRESSAVG: 1375800 15.6921 -1.74652 -2.26671 -1.74655 -40.955 0.157698 -2.26666 0.157698 12.9401 GPRESSAVG: 1375800 16.7063 -3.27121 -2.77306 -2.51621 -43.9377 1.26094 -1.36216 0.557473 14.3808 TIMING: 1375800 CPU: 4348.37, 0.00317514/step Wall: 4348.37, 0.00317514/step, 3.19648 hours remaining, 234.929688 MB of memory in use. ENERGY: 1375800 3957.3854 20407.2049 14583.5914 259.9190 -202767.5884 2411.9657 0.0000 0.0000 52075.6223 -109071.8998 299.2793 -161147.5221 -108715.1645 299.6266 -32.9104 1.8094 762143.8679 -4.1076 -4.2835 PRESSURE: 1376000 -192.162 42.0674 -201.135 42.0675 -342.144 36.4965 -201.134 36.497 147.59 GPRESSURE: 1376000 -159.296 -63.9238 -196.905 124.223 -288.461 53.1901 -242.199 -58.6787 160.469 PRESSAVG: 1376000 4.42974 -0.870251 -15.085 -0.870276 36.4752 -22.2278 -15.0851 -22.2277 3.4266 GPRESSAVG: 1376000 3.80888 -0.258691 -15.5255 0.0560914 37.7142 -23.8575 -15.938 -21.2568 2.86425 TIMING: 1376000 CPU: 4349, 0.00318018/step Wall: 4349, 0.00318018/step, 3.20138 hours remaining, 234.929688 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: 1376000 4089.8425 20443.0940 14482.5909 238.6654 -202699.5313 2445.8420 0.0000 0.0000 51901.3392 -109098.1573 298.2777 -160999.4965 -108737.9443 299.5671 -128.9055 -95.7627 763853.9683 14.7772 14.7958 PRESSURE: 1376200 281.164 21.9619 216.739 21.9621 39.0959 159.239 216.739 159.24 382.825 GPRESSURE: 1376200 362.976 106.901 184.46 90.5673 -17.1516 136.136 288.614 109.508 447.98 PRESSAVG: 1376200 -2.9734 -6.73169 -40.3936 -6.73165 -2.18356 -7.89518 -40.3936 -7.89519 -1.93718 GPRESSAVG: 1376200 -2.03807 -5.79984 -41.7707 -6.89294 -3.96359 -7.18371 -38.9119 -8.80797 -1.15683 TIMING: 1376200 CPU: 4349.64, 0.00318074/step Wall: 4349.64, 0.00318074/step, 3.20176 hours remaining, 234.929688 MB of memory in use. ENERGY: 1376200 3993.1889 20475.8756 14534.3964 249.6227 -203486.8536 2889.1176 0.0000 0.0000 52335.8366 -109008.8158 300.7748 -161344.6524 -108646.5815 299.6437 234.3616 264.6017 762063.4661 -2.3647 -2.3862 LDB: ============= START OF LOAD BALANCING ============== 4362.18 LDB: ============== END OF LOAD BALANCING =============== 4362.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4362.18 LDB: ============= START OF LOAD BALANCING ============== 4362.5 LDB: Largest compute 7041 load 0.029964 is 15.3% of average load 0.195511 LDB: Average compute 0.004389 is 2.2% of average load 0.195511 LDB: TIME 4362.5 LOAD: AVG 0.195511 MAX 0.215371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.734 MB LDB: TIME 4362.5 LOAD: AVG 0.195511 MAX 0.215371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.734 MB LDB: TIME 4362.5 LOAD: AVG 0.195511 MAX 0.215371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.734 MB LDB: ============== END OF LOAD BALANCING =============== 4362.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4362.51 PRESSURE: 1376400 -284.516 -82.7004 114.181 -82.6997 -329.603 124.716 114.181 124.716 -450.835 GPRESSURE: 1376400 -271.109 -130.135 161.977 -46.2024 -204.989 87.607 63.309 55.8411 -521.289 PRESSAVG: 1376400 47.844 -34.8781 33.3222 -34.8781 -61.411 -8.22877 33.3223 -8.22875 -7.9676 GPRESSAVG: 1376400 47.9227 -35.1431 34.6845 -35.0385 -61.8148 -7.33412 31.6673 -9.7536 -7.89873 TIMING: 1376400 CPU: 4350.29, 0.00324889/step Wall: 4350.29, 0.00324889/step, 3.27019 hours remaining, 233.687500 MB of memory in use. ENERGY: 1376400 3925.3467 20471.1563 14486.6453 250.1261 -202142.7927 2051.6804 0.0000 0.0000 51987.5170 -108970.3209 298.7730 -160957.8380 -108605.6580 299.5336 -354.9847 -332.4622 764138.5708 -7.1782 -7.2636 PRESSURE: 1376600 -83.3812 -158.199 -92.9993 -158.198 -179.297 -72.0732 -92.9996 -72.0732 -346.596 GPRESSURE: 1376600 -47.2242 -176.737 -227.3 -195.807 -156.358 -5.67034 -94.9163 9.77678 -332.596 PRESSAVG: 1376600 36.4208 -67.5373 1.57916 -67.5372 -58.0216 -8.70865 1.5792 -8.70868 -10.6811 GPRESSAVG: 1376600 36.8674 -69.1433 1.22242 -67.0397 -57.2355 -9.09813 0.433055 -7.06222 -11.9993 TIMING: 1376600 CPU: 4350.93, 0.00317992/step Wall: 4350.93, 0.00317992/step, 3.20059 hours remaining, 233.890625 MB of memory in use. ENERGY: 1376600 3968.1595 20473.5485 14558.7699 254.7059 -202324.3109 2309.7556 0.0000 0.0000 51649.6173 -109109.7542 296.8311 -160759.3715 -108748.4741 299.2454 -203.0914 -178.7260 762684.7757 -10.7606 -10.7891 PRESSURE: 1376800 -324.538 -163.609 -7.81785 -163.61 -474.622 -187.864 -7.81788 -187.864 -177.722 GPRESSURE: 1376800 -359.873 -33.7052 -15.6863 -205.303 -380.325 -254.57 -51.7293 -312.744 -164.438 PRESSAVG: 1376800 26.3038 -48.138 -37.82 -48.1381 -78.905 15.0059 -37.8199 15.0059 31.6339 GPRESSAVG: 1376800 24.606 -46.6582 -39.7392 -47.8033 -78.8736 15.5027 -35.664 12.5698 33.5371 TIMING: 1376800 CPU: 4351.56, 0.00318018/step Wall: 4351.56, 0.00318018/step, 3.20067 hours remaining, 233.890625 MB of memory in use. ENERGY: 1376800 4000.1518 20513.8185 14481.6737 244.0175 -202657.8671 2294.6079 0.0000 0.0000 51923.8727 -109199.7250 298.4072 -161123.5977 -108834.3231 299.2654 -325.6274 -301.5451 761780.8777 -6.9891 -6.9102 PRESSURE: 1377000 -34.5888 41.9585 121.407 41.9582 -113.623 117.237 121.408 117.236 359.671 GPRESSURE: 1377000 34.0306 106.888 72.2024 -55.7627 -128.011 87.5275 43.5763 140.886 396.862 PRESSAVG: 1377000 53.8503 -86.4412 -3.10864 -86.4412 -36.7636 4.84887 -3.10864 4.84883 11.4348 GPRESSAVG: 1377000 55.4956 -88.2317 -0.650375 -85.1502 -37.0736 3.56055 -2.70759 6.02328 9.88206 TIMING: 1377000 CPU: 4352.2, 0.00316503/step Wall: 4352.2, 0.00316503/step, 3.18525 hours remaining, 234.015625 MB of memory in use. ENERGY: 1377000 3991.0029 20453.4316 14569.8517 263.2141 -202779.9311 2413.4023 0.0000 0.0000 51764.0816 -109324.9469 297.4889 -161089.0285 -108964.6755 299.1027 70.4866 100.9605 760861.2741 9.5072 9.4347 PRESSURE: 1377200 38.4042 11.6063 142.864 11.6063 -170.181 180.371 142.864 180.37 -39.5882 GPRESSURE: 1377200 120.644 -5.30242 39.5652 11.3444 -216.165 174.218 116.396 169.297 15.5971 PRESSAVG: 1377200 20.9915 -40.237 -9.85504 -40.237 -3.97988 39.2033 -9.85502 39.2033 -16.8659 GPRESSAVG: 1377200 21.7691 -39.0893 -9.72434 -43.1425 -3.80265 40.188 -10.1721 41.1327 -17.5942 TIMING: 1377200 CPU: 4352.83, 0.00317986/step Wall: 4352.83, 0.00317986/step, 3.2 hours remaining, 234.015625 MB of memory in use. ENERGY: 1377200 3982.6661 20512.1285 14435.5539 223.1580 -203106.0260 2534.0107 0.0000 0.0000 51976.0997 -109442.4092 298.7074 -161418.5089 -109084.1284 299.3654 -57.1216 -26.6412 760610.0801 0.0486 0.1241 PRESSURE: 1377400 -209.581 120.381 -65.6144 120.38 -171.291 71.5856 -65.6144 71.5838 -216.245 GPRESSURE: 1377400 -173.029 41.5184 -74.9735 49.532 -85.76 89.3426 -91.668 72.3244 -244.211 PRESSAVG: 1377400 15.5786 -35.1901 -21.2601 -35.1902 -6.29618 23.4281 -21.2601 23.4281 6.81016 GPRESSAVG: 1377400 14.2034 -36.1781 -23.581 -34.7593 -5.40863 23.3882 -19.8151 22.714 7.56174 TIMING: 1377400 CPU: 4353.47, 0.00319766/step Wall: 4353.47, 0.00319766/step, 3.21773 hours remaining, 234.015625 MB of memory in use. ENERGY: 1377400 4050.2232 20363.6713 14522.1875 226.5262 -203100.9589 2354.9827 0.0000 0.0000 51985.1823 -109598.1857 298.7596 -161583.3680 -109236.9045 299.0082 -199.0390 -167.6666 761594.3033 5.3642 5.4522 PRESSURE: 1377600 42.102 -152.056 -85.0647 -152.055 -334.711 49.6008 -85.0644 49.6 -487.911 GPRESSURE: 1377600 85.5484 -70.0587 -134.677 -166.402 -378.014 112.872 -92.8838 -59.1897 -407.527 PRESSAVG: 1377600 12.6187 -53.3049 -29.6925 -53.305 -59.4165 3.59342 -29.6925 3.59345 -2.04485 GPRESSAVG: 1377600 13.1797 -51.4529 -29.7076 -53.9342 -61.65 3.12606 -29.9359 3.42038 -0.875274 TIMING: 1377600 CPU: 4354.1, 0.00316572/step Wall: 4354.1, 0.00316572/step, 3.18542 hours remaining, 234.015625 MB of memory in use. ENERGY: 1377600 4007.7241 20439.3144 14441.9211 238.3450 -202811.4535 2392.5914 0.0000 0.0000 51766.3683 -109525.1893 297.5020 -161291.5576 -109159.1164 298.1720 -260.1736 -233.3308 765557.3731 -16.2809 -16.4485 PRESSURE: 1377800 108.749 -38.8697 134.503 -38.8701 210.576 108.733 134.503 108.734 552.722 GPRESSURE: 1377800 240.547 -125.014 225.361 -64.9448 198.962 141.428 101.397 100.293 527.444 PRESSAVG: 1377800 4.70129 -29.6044 -29.3216 -29.6043 -11.1445 14.8297 -29.3217 14.8297 9.39347 GPRESSAVG: 1377800 5.1578 -31.0711 -28.3732 -28.7829 -10.7371 15.7326 -29.7978 14.4884 8.27323 TIMING: 1377800 CPU: 4354.74, 0.00317039/step Wall: 4354.74, 0.00317039/step, 3.18994 hours remaining, 234.015625 MB of memory in use. ENERGY: 1377800 3961.6769 20421.6553 14566.3411 242.8615 -203432.0428 2882.7487 0.0000 0.0000 51809.0339 -109547.7253 297.7472 -161356.7592 -109192.0391 298.6245 290.6823 322.3180 763847.1677 0.9834 0.8980 PRESSURE: 1378000 -134.303 -259.597 45.4769 -259.597 -256.876 -205.424 45.4759 -205.425 -200.818 GPRESSURE: 1378000 -106.711 -152.829 51.962 -173.127 -175.122 -241.808 56.7181 -66.0151 -222.787 PRESSAVG: 1378000 0.278867 -25.01 -44.8713 -25.01 23.7599 24.1318 -44.8713 24.1318 3.19029 GPRESSAVG: 1378000 0.97928 -23.6858 -43.7168 -23.7839 23.2639 23.8373 -46.3522 24.2989 2.80624 TIMING: 1378000 CPU: 4355.38, 0.00319491/step Wall: 4355.38, 0.00319491/step, 3.21444 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: 1378000 3885.7577 20422.3344 14556.9810 263.9468 -203341.6505 2727.0400 0.0000 0.0000 52099.5842 -109386.0064 299.4170 -161485.5906 -109018.1896 298.5771 -197.3324 -168.2067 763743.8133 9.0764 9.0165 PRESSURE: 1378200 69.9814 7.10495 -160.715 7.10395 -104.233 -50.0141 -160.716 -50.0146 120.125 GPRESSURE: 1378200 58.97 51.1994 -248.243 -101.817 -12.8408 33.225 -17.808 -67.2508 128.62 PRESSAVG: 1378200 44.7133 -38.3878 -49.5515 -38.3879 5.53295 34.8881 -49.5515 34.8882 -3.9544 GPRESSAVG: 1378200 44.1129 -39.2275 -49.0769 -39.0184 6.77813 34.5956 -49.6224 34.1396 -3.95883 TIMING: 1378200 CPU: 4356.02, 0.00319703/step Wall: 4356.02, 0.00319703/step, 3.21639 hours remaining, 234.218750 MB of memory in use. ENERGY: 1378200 3943.6284 20636.1511 14542.7092 252.5415 -203362.2835 2749.9808 0.0000 0.0000 51906.4313 -109330.8411 298.3070 -161237.2724 -108976.7438 298.8016 28.6247 58.2499 762555.3456 15.4306 15.6441 PRESSURE: 1378400 252.735 -135.113 -248.705 -135.113 86.286 250.272 -248.706 250.271 504.093 GPRESSURE: 1378400 293.9 -91.4684 -249.49 -190.824 15.2259 196.775 -244.324 241.987 618.4 PRESSAVG: 1378400 4.40569 -26.4423 -97.2342 -26.4423 -29.3027 94.9253 -97.2342 94.9253 -3.13103 GPRESSAVG: 1378400 4.05198 -25.7296 -97.5326 -25.7524 -29.0641 94.4729 -95.156 97.6035 -2.84968 TIMING: 1378400 CPU: 4356.66, 0.00320415/step Wall: 4356.66, 0.00320415/step, 3.22338 hours remaining, 234.218750 MB of memory in use. ENERGY: 1378400 3960.1855 20538.2754 14529.8819 257.7291 -203445.8979 2780.8130 0.0000 0.0000 52254.2361 -109124.7768 300.3058 -161379.0129 -108750.5036 299.2015 281.0380 309.1752 762398.0676 -9.3427 -9.2873 PRESSURE: 1378600 342.6 143.839 -232.355 143.839 47.5147 332.724 -232.354 332.724 -96.0859 GPRESSURE: 1378600 397.015 126.166 -259.317 99.8988 7.05738 317.481 -114.899 314.824 -42.6137 PRESSAVG: 1378600 32.3309 -56.7823 -68.3908 -56.7824 4.82099 -0.640339 -68.3908 -0.640365 -11.8221 GPRESSAVG: 1378600 32.3715 -58.6917 -70.0665 -56.9918 3.9459 0.578197 -69.263 -3.20681 -11.3782 TIMING: 1378600 CPU: 4357.3, 0.00320095/step Wall: 4357.3, 0.00320095/step, 3.21998 hours remaining, 234.218750 MB of memory in use. ENERGY: 1378600 3988.9231 20431.0331 14598.4420 260.7507 -203509.0257 2987.4077 0.0000 0.0000 52145.7003 -109096.7687 299.6821 -161242.4691 -108728.3504 299.1014 98.0096 120.4862 762669.9048 8.4433 8.3131 PRESSURE: 1378800 -47.0669 27.5687 53.7388 27.569 -22.5087 -43.99 53.7389 -43.989 -58.6365 GPRESSURE: 1378800 10.2711 -31.929 8.8119 112.753 -31.1577 -95.4821 114.7 82.1528 3.70777 PRESSAVG: 1378800 42.1411 -6.30991 -55.7442 -6.30986 -14.5051 27.1439 -55.7442 27.1438 3.66154 GPRESSAVG: 1378800 41.9994 -3.56297 -53.5291 -6.33896 -14.8137 27.1365 -56.2895 27.2108 4.006 TIMING: 1378800 CPU: 4357.93, 0.00316854/step Wall: 4357.93, 0.00316854/step, 3.1872 hours remaining, 234.218750 MB of memory in use. ENERGY: 1378800 3989.5928 20434.7210 14548.5417 224.6818 -202963.4278 2465.5332 0.0000 0.0000 52231.5654 -109068.7918 300.1755 -161300.3573 -108709.2136 299.1815 -42.7374 -5.7263 760849.8960 10.4325 10.3972 PRESSURE: 1379000 346.662 118.295 145.848 118.294 -60.5552 5.36656 145.847 5.36574 -84.5449 GPRESSURE: 1379000 310.745 125.375 106.223 -44.0611 -50.2905 59.0239 35.7548 76.9133 20.648 PRESSAVG: 1379000 2.43941 -15.5324 7.06341 -15.5324 31.6516 7.33471 7.06334 7.33469 -15.2753 GPRESSAVG: 1379000 2.13194 -15.8756 6.07703 -17.6533 32.0803 7.29273 6.47575 6.5278 -15.7007 TIMING: 1379000 CPU: 4358.57, 0.00318395/step Wall: 4358.57, 0.00318395/step, 3.20252 hours remaining, 234.218750 MB of memory in use. ENERGY: 1379000 3976.4381 20632.4797 14531.7187 243.8763 -202853.5896 2484.1257 0.0000 0.0000 51651.5670 -109333.3842 296.8423 -160984.9512 -108978.0658 299.4430 67.1872 93.7009 761263.6265 6.2719 6.1705 PRESSURE: 1379200 -113.536 -24.9204 -276.282 -24.9203 461.151 131.498 -276.283 131.498 228.82 GPRESSURE: 1379200 3.95142 -80.4515 -383.642 62.7261 436.821 111.08 -133.639 -69.2317 225.183 PRESSAVG: 1379200 -6.88885 -39.4708 -3.19988 -39.4708 13.2591 34.5002 -3.19998 34.5003 -20.5205 GPRESSAVG: 1379200 -5.56644 -41.9966 -4.90897 -36.4402 11.9095 35.2481 -1.97396 35.699 -20.8342 TIMING: 1379200 CPU: 4359.2, 0.00316944/step Wall: 4359.2, 0.00316944/step, 3.18775 hours remaining, 234.218750 MB of memory in use. ENERGY: 1379200 3918.4396 20493.8997 14578.3735 244.6413 -203355.7376 2654.5461 0.0000 0.0000 52197.9415 -109267.8958 299.9823 -161465.8373 -108902.8474 298.9289 192.1448 221.9850 759774.6151 -4.7168 -4.8304 PRESSURE: 1379400 247.835 41.3619 272.238 41.3605 -84.2212 66.5911 272.236 66.5902 141.258 GPRESSURE: 1379400 226.415 82.0598 270.496 42.9821 0.33985 150.137 275.741 -55.5484 147.598 PRESSAVG: 1379400 12.3678 -30.7339 25.9063 -30.7339 -27.8504 -37.2223 25.9063 -37.2223 -16.8438 GPRESSAVG: 1379400 11.0692 -30.623 28.0657 -32.26 -26.9972 -37.689 26.1717 -38.1964 -15.7141 TIMING: 1379400 CPU: 4359.84, 0.00318028/step Wall: 4359.84, 0.00318028/step, 3.19848 hours remaining, 234.421875 MB of memory in use. ENERGY: 1379400 3945.9378 20490.5130 14542.9738 267.8048 -202993.7585 2705.5420 0.0000 0.0000 51584.4544 -109456.5326 296.4566 -161040.9871 -109104.1946 298.8302 101.6239 124.7842 761474.3234 -10.7755 -10.5474 PRESSURE: 1379600 324.07 -135.758 -122.029 -135.757 317.43 -178.874 -122.028 -178.875 644.624 GPRESSURE: 1379600 308.543 -234.786 -132.749 -188.406 360.044 -136.449 -204.359 -5.64085 703.462 PRESSAVG: 1379600 15.7994 -7.77721 -2.38958 -7.77721 6.84294 -27.2424 -2.3896 -27.2424 4.69641 GPRESSAVG: 1379600 16.2588 -7.46913 -4.59218 -7.53312 6.32226 -25.9709 -3.95594 -27.3327 4.56873 TIMING: 1379600 CPU: 4360.48, 0.00318655/step Wall: 4360.48, 0.00318656/step, 3.20461 hours remaining, 234.421875 MB of memory in use. ENERGY: 1379600 3925.3559 20410.9224 14443.7208 243.1257 -203392.5732 2808.0551 0.0000 0.0000 52080.7136 -109480.6798 299.3086 -161561.3934 -109117.4815 298.4076 428.7080 457.3495 760920.3804 9.1129 9.0499 PRESSURE: 1379800 29.2874 -63.7888 -4.38483 -63.7881 -276.088 -167.237 -4.38493 -167.238 -15.7483 GPRESSURE: 1379800 86.4896 -163.726 70.6937 -70.0664 -137.407 -115.569 32.0384 -148.537 -101.73 PRESSAVG: 1379800 27.1093 13.8543 -21.5524 13.8543 -11.7638 -30.1805 -21.5524 -30.1805 21.544 GPRESSAVG: 1379800 26.2056 13.7964 -19.5493 13.7062 -10.7108 -32.3067 -20.4424 -29.3494 20.7247 TIMING: 1379800 CPU: 4361.11, 0.00317824/step Wall: 4361.11, 0.00317824/step, 3.19608 hours remaining, 234.421875 MB of memory in use. ENERGY: 1379800 3969.3510 20302.5703 14520.7033 245.9740 -203698.1383 2917.6966 0.0000 0.0000 52113.5631 -109628.2801 299.4974 -161741.8431 -109267.6494 298.8053 -87.5163 -50.8824 760489.9961 12.2965 12.0732 PRESSURE: 1380000 113.933 62.676 32.1847 62.6764 -146.718 14.8492 32.1852 14.8482 190.727 GPRESSURE: 1380000 109.431 51.9766 14.7576 83.7403 -75.1797 62.4087 18.4106 -147.205 216.528 PRESSAVG: 1380000 10.1641 -19.776 57.8573 -19.7759 -44.4281 27.0425 57.8573 27.0424 4.77082 GPRESSAVG: 1380000 10.4734 -20.7501 56.4091 -18.8949 -44.4168 27.8344 59.2425 26.5902 4.20781 TIMING: 1380000 CPU: 4361.75, 0.00318503/step Wall: 4361.75, 0.00318503/step, 3.20273 hours remaining, 234.421875 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: 1380000 3965.1376 20344.7825 14578.1935 240.9409 -203019.0362 2597.0520 0.0000 0.0000 51713.6984 -109579.2313 297.1993 -161292.9297 -109226.5891 298.5342 52.6473 83.5930 763079.2220 -9.8311 -9.9119 PRESSURE: 1380200 99.7033 204.663 -87.3747 204.664 -266.229 61.7898 -87.3747 61.7899 -153.402 GPRESSURE: 1380200 98.5924 239.154 -51.2893 219.015 -219.157 7.83909 -144.15 145.968 -125.365 PRESSAVG: 1380200 -8.48448 -76.2255 13.0539 -76.2255 -22.9894 23.561 13.0539 23.5611 2.25739 GPRESSAVG: 1380200 -8.74737 -74.486 14.277 -76.1896 -24.4875 23.6153 12.5499 23.9775 3.77484 TIMING: 1380200 CPU: 4362.39, 0.0031932/step Wall: 4362.39, 0.0031932/step, 3.21077 hours remaining, 234.421875 MB of memory in use. ENERGY: 1380200 4038.8692 20617.3635 14507.4406 257.9347 -203467.8751 2490.2756 0.0000 0.0000 51858.9263 -109697.0652 298.0340 -161555.9915 -109335.0323 298.0894 -106.6426 -81.9767 761435.4532 -9.7388 -9.8200 LDB: ============= START OF LOAD BALANCING ============== 4374.92 LDB: ============== END OF LOAD BALANCING =============== 4374.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4374.93 LDB: ============= START OF LOAD BALANCING ============== 4375.25 LDB: Largest compute 7041 load 0.031716 is 16.2% of average load 0.195354 LDB: Average compute 0.004405 is 2.3% of average load 0.195354 LDB: TIME 4375.25 LOAD: AVG 0.195354 MAX 0.216494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.648 MB LDB: TIME 4375.25 LOAD: AVG 0.195354 MAX 0.216494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.688 MB LDB: TIME 4375.25 LOAD: AVG 0.195354 MAX 0.216494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.688 MB LDB: ============== END OF LOAD BALANCING =============== 4375.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4375.26 PRESSURE: 1380400 -271.05 144.908 -12.3739 144.908 90.0527 260.069 -12.3734 260.069 43.2655 GPRESSURE: 1380400 -139.567 64.1676 9.70546 24.649 56.6372 137.094 -25.9063 290.341 36.4008 PRESSAVG: 1380400 6.9079 -14.7913 -2.21332 -14.7913 24.4554 -39.9304 -2.21334 -39.9305 -3.85886 GPRESSAVG: 1380400 8.28583 -14.9524 -1.8562 -17.847 24.0248 -41.264 -2.08928 -39.3995 -4.62584 TIMING: 1380400 CPU: 4363.04, 0.00327354/step Wall: 4363.04, 0.00327354/step, 3.29136 hours remaining, 232.878906 MB of memory in use. ENERGY: 1380400 3957.4910 20604.4224 14520.9237 254.8085 -203048.8222 2277.9921 0.0000 0.0000 51835.7126 -109597.4719 297.9006 -161433.1845 -109232.0604 298.4136 -45.9106 -15.5098 762112.2054 9.1681 9.2283 PRESSURE: 1380600 -5.11149 -100.003 -257.406 -100.002 -303.425 -68.8039 -257.405 -68.8038 159.095 GPRESSURE: 1380600 56.059 -94.4204 -228.972 -72.8842 -293.487 46.2384 -255.528 -189.41 153.897 PRESSAVG: 1380600 45.5104 -63.8974 -48.8404 -63.8974 -25.6527 35.6573 -48.8405 35.6574 -20.9077 GPRESSAVG: 1380600 44.0545 -66.8733 -50.5578 -61.1588 -24.7505 36.6873 -49.3285 36.3296 -20.6538 TIMING: 1380600 CPU: 4363.68, 0.00319292/step Wall: 4363.68, 0.00319292/step, 3.21013 hours remaining, 233.082031 MB of memory in use. ENERGY: 1380600 4023.0371 20608.6526 14561.0699 235.4092 -203230.3120 2559.7786 0.0000 0.0000 51703.2876 -109539.0769 297.1395 -161242.3646 -109180.8407 298.2932 -49.8136 -27.8437 762541.0786 -0.3500 -0.4499 PRESSURE: 1380800 62.4771 65.987 170.115 65.9874 -141.297 1.56672 170.114 1.56694 20.9434 GPRESSURE: 1380800 154.864 5.48993 124.549 138.061 -98.7728 -37.966 230.846 31.4537 -33.6986 PRESSAVG: 1380800 6.90555 -52.94 -42.6495 -52.9399 27.6283 41.1731 -42.6495 41.1732 2.56302 GPRESSAVG: 1380800 7.91682 -50.5997 -42.0472 -52.3685 26.5528 39.9234 -42.181 41.2389 2.37177 TIMING: 1380800 CPU: 4364.32, 0.00319928/step Wall: 4364.32, 0.00319928/step, 3.21634 hours remaining, 233.082031 MB of memory in use. ENERGY: 1380800 3853.6015 20512.6020 14561.0719 246.9403 -203196.1047 2441.4961 0.0000 0.0000 51981.1247 -109599.2681 298.7362 -161580.3928 -109234.0033 298.6656 -19.2922 7.4642 761410.7439 12.3656 12.2804 PRESSURE: 1381000 -173.019 263.264 314.619 263.263 -412.791 215.109 314.618 215.108 -185.606 GPRESSURE: 1381000 -242.15 184.937 271.029 191.043 -216.73 155.229 305.14 138.562 -198.856 PRESSAVG: 1381000 -26.3644 -23.457 65.6524 -23.4571 -33.0263 -11.7886 65.6524 -11.7887 -4.04785 GPRESSAVG: 1381000 -27.1266 -24.7423 64.7374 -25.7181 -31.1725 -10.0204 67.0643 -12.5126 -4.31959 TIMING: 1381000 CPU: 4364.96, 0.00319794/step Wall: 4364.96, 0.00319794/step, 3.21482 hours remaining, 233.082031 MB of memory in use. ENERGY: 1381000 4005.8849 20393.9096 14560.8049 250.2875 -202993.5335 2435.8698 0.0000 0.0000 51836.8431 -109509.9338 297.9070 -161346.7768 -109150.5626 298.8547 -257.1386 -219.2451 762021.1992 -21.1462 -20.8729 PRESSURE: 1381200 -172.444 81.657 -340.82 81.657 52.6385 -118.789 -340.819 -118.789 126.945 GPRESSURE: 1381200 -93.3581 63.9708 -319.357 25.7126 72.6031 -100.517 -400.823 -184.175 124.344 PRESSAVG: 1381200 -35.3705 49.4329 23.8155 49.4329 48.0131 -36.9774 23.8155 -36.9774 -6.12382 GPRESSAVG: 1381200 -34.5059 49.3483 25.5909 48.8815 47.2082 -36.7557 20.3025 -37.2339 -5.81118 TIMING: 1381200 CPU: 4365.6, 0.00319496/step Wall: 4365.6, 0.00319496/step, 3.21165 hours remaining, 233.082031 MB of memory in use. ENERGY: 1381200 3975.2746 20511.1840 14529.3693 239.4629 -203491.1699 2679.0251 0.0000 0.0000 51893.6464 -109663.2076 298.2335 -161556.8540 -109295.9624 298.5013 2.3798 34.5298 761846.9541 2.1729 2.2970 PRESSURE: 1381400 -396.541 -32.9009 121.014 -32.9001 -100.384 -102.399 121.015 -102.398 -201.019 GPRESSURE: 1381400 -342.958 36.7596 96.3465 -20.1883 -87.3816 -204.271 17.3768 -129.377 -186.694 PRESSAVG: 1381400 -23.0852 -7.14 -44.2108 -7.14012 58.6323 0.0699557 -44.2107 0.0700007 1.09737 GPRESSAVG: 1381400 -23.5855 -6.70316 -44.4861 -3.40708 58.2687 -0.267641 -44.1592 0.302319 1.0082 TIMING: 1381400 CPU: 4366.24, 0.0031829/step Wall: 4366.24, 0.0031829/step, 3.19934 hours remaining, 233.082031 MB of memory in use. ENERGY: 1381400 4012.7845 20487.0684 14514.5423 249.0391 -203008.0615 2533.1494 0.0000 0.0000 51799.3209 -109412.1569 297.6914 -161211.4778 -109053.6232 298.6404 -232.6481 -205.6779 763553.1052 12.2148 11.8971 PRESSURE: 1381600 -84.0765 -205.358 -112.768 -205.359 24.9357 -82.5247 -112.768 -82.5253 360.638 GPRESSURE: 1381600 -16.1398 -210.372 -145.279 -112.934 147.152 -122.261 -31.6953 -155.884 265.779 PRESSAVG: 1381600 -22.4262 -64.3988 8.86201 -64.3988 21.5726 25.8767 8.86189 25.8767 39.1371 GPRESSAVG: 1381600 -22.0056 -63.5768 9.30664 -66.1196 22.2199 25.8786 10.8546 25.6063 38.0503 TIMING: 1381600 CPU: 4366.88, 0.00320674/step Wall: 4366.88, 0.00320674/step, 3.22313 hours remaining, 233.082031 MB of memory in use. ENERGY: 1381600 4021.1098 20508.3961 14607.3804 236.1413 -203250.0814 2616.7532 0.0000 0.0000 51916.4840 -109343.8166 298.3647 -161260.3006 -108988.2953 298.4767 100.4991 132.2639 760295.9492 12.7612 12.7548 PRESSURE: 1381800 312.674 30.4015 2.07824 30.4008 -85.6664 -28.3731 2.07879 -28.3732 147.838 GPRESSURE: 1381800 226.285 21.0806 63.2576 36.4008 -54.974 -73.8066 -28.3743 16.5922 289.384 PRESSAVG: 1381800 19.9285 8.01625 48.8849 8.01626 26.6219 -20.5718 48.8849 -20.5718 12.1811 GPRESSAVG: 1381800 17.8385 5.79672 49.5762 9.34167 27.6341 -20.3199 47.5668 -20.6549 13.6711 TIMING: 1381800 CPU: 4367.51, 0.00318924/step Wall: 4367.51, 0.00318924/step, 3.20537 hours remaining, 233.082031 MB of memory in use. ENERGY: 1381800 3898.0490 20576.2987 14566.0488 249.9137 -203201.7318 2571.7488 0.0000 0.0000 52208.1986 -109131.4742 300.0412 -161339.6728 -108767.9065 299.2522 124.9485 153.5648 762124.3313 19.5772 19.7146 PRESSURE: 1382000 -254.53 -76.2051 -117.161 -76.2046 158.264 -5.12145 -117.162 -5.12175 -256.698 GPRESSURE: 1382000 -181.199 20.7133 -132.004 74.6935 205.257 -112.164 -5.67131 47.4964 -311.858 PRESSAVG: 1382000 -40.2316 -44.7227 17.6461 -44.7228 32.5001 13.6608 17.6461 13.6608 -7.76194 GPRESSAVG: 1382000 -39.2748 -41.7608 16.3529 -45.473 32.2544 12.8393 18.745 15.2311 -8.68003 TIMING: 1382000 CPU: 4368.15, 0.00319558/step Wall: 4368.15, 0.00319558/step, 3.21156 hours remaining, 233.082031 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: 1382000 3962.0066 20630.7027 14632.8923 259.6232 -202909.3563 2241.1273 0.0000 0.0000 52029.7469 -109153.2572 299.0157 -161183.0041 -108782.3471 299.2709 -117.6549 -95.9331 760088.6685 -5.1645 -5.2335 PRESSURE: 1382200 40.6694 -291.894 -109.275 -291.895 -37.6936 -215.488 -109.275 -215.487 260.436 GPRESSURE: 1382200 114.693 -253.755 -130.189 -412.09 -34.223 -206.985 -102.365 -217.416 253.468 PRESSAVG: 1382200 22.3314 -30.2265 -22.2052 -30.2266 30.578 -20.8872 -22.2053 -20.8872 24.566 GPRESSAVG: 1382200 23.0746 -31.8252 -22.7911 -31.2394 29.9694 -19.2725 -22.4399 -23.659 24.2575 TIMING: 1382200 CPU: 4368.79, 0.00316995/step Wall: 4368.79, 0.00316995/step, 3.18562 hours remaining, 233.082031 MB of memory in use. ENERGY: 1382200 4008.8715 20643.6970 14515.2192 257.1264 -203194.3667 2506.6722 0.0000 0.0000 52224.3651 -109038.4153 300.1341 -161262.7804 -108677.0792 299.4553 87.8038 111.3128 762961.3269 25.8251 25.7672 PRESSURE: 1382400 -218.565 -177.715 -159.642 -177.715 -134.582 66.9671 -159.641 66.9666 5.71628 GPRESSURE: 1382400 -141.58 -204.757 -141.992 -211.418 -145.754 45.1688 -175.338 35.8763 4.91958 PRESSAVG: 1382400 -52.7337 -49.7196 56.5612 -49.7196 36.78 -73.4861 56.5612 -73.4861 -17.6192 GPRESSAVG: 1382400 -53.4577 -49.1328 56.8102 -49.3743 36.1606 -74.1792 56.566 -73.4299 -16.6873 TIMING: 1382400 CPU: 4369.43, 0.00319972/step Wall: 4369.43, 0.00319972/step, 3.21536 hours remaining, 233.082031 MB of memory in use. ENERGY: 1382400 4055.2956 20591.3996 14546.3332 246.4391 -202731.8935 2212.1395 0.0000 0.0000 52029.4812 -109050.8053 299.0141 -161080.2865 -108684.7252 299.6351 -115.8101 -94.1382 762218.9926 -11.1910 -11.3281 PRESSURE: 1382600 53.55 -100.492 264.238 -100.492 -291.447 2.41996 264.238 2.42059 100.425 GPRESSURE: 1382600 51.3588 -54.2176 314.672 119.037 -251.377 -46.5235 243.547 55.431 144.176 PRESSAVG: 1382600 -19.9236 -24.3229 -19.039 -24.3229 -0.58461 12.2372 -19.0389 12.2372 2.50851 GPRESSAVG: 1382600 -19.8967 -23.4161 -19.3806 -24.9084 0.0542543 13.617 -17.9581 13.7829 1.74177 TIMING: 1382600 CPU: 4370.07, 0.00320991/step Wall: 4370.07, 0.00320991/step, 3.22542 hours remaining, 233.082031 MB of memory in use. ENERGY: 1382600 3989.6458 20585.9576 14493.9956 242.1524 -203315.3328 2626.7202 0.0000 0.0000 52304.9197 -109071.9414 300.5971 -161376.8611 -108699.8696 299.8576 -45.8242 -18.6141 761944.5220 -5.9999 -6.0335 PRESSURE: 1382800 -201.645 -169.716 -269.887 -169.715 2.80601 140.946 -269.886 140.946 -611.769 GPRESSURE: 1382800 -163.863 -118.5 -285.278 -178.566 57.3527 126.499 -177.5 187.876 -595.445 PRESSAVG: 1382800 20.0452 16.2341 -40.2381 16.234 5.98793 -42.9945 -40.238 -42.9944 -9.06989 GPRESSAVG: 1382800 20.2714 15.4744 -40.0797 15.2758 6.39065 -44.9696 -42.1254 -40.9802 -9.53353 TIMING: 1382800 CPU: 4370.71, 0.0031978/step Wall: 4370.71, 0.0031978/step, 3.21308 hours remaining, 233.082031 MB of memory in use. ENERGY: 1382800 4082.1678 20462.5506 14585.1175 256.6960 -203149.9129 2468.1263 0.0000 0.0000 52260.5605 -109034.6942 300.3422 -161295.2547 -108662.6295 299.4896 -270.2027 -233.9851 763476.0436 5.6544 5.7095 PRESSURE: 1383000 219.591 -154.254 201.612 -154.254 64.3877 -208.666 201.613 -208.665 -40.8209 GPRESSURE: 1383000 218.165 -94.8367 156.567 -248.273 52.985 -208.323 31.6446 -166.287 47.184 PRESSAVG: 1383000 -11.0942 22.5989 -15.9906 22.5989 2.7781 36.1429 -15.9906 36.143 -16.945 GPRESSAVG: 1383000 -11.9982 23.2292 -15.2371 22.0995 2.72351 37.7097 -17.9235 31.5889 -16.0232 TIMING: 1383000 CPU: 4371.35, 0.00319696/step Wall: 4371.35, 0.00319696/step, 3.21205 hours remaining, 233.082031 MB of memory in use. ENERGY: 1383000 3981.5326 20614.5568 14491.3405 241.8703 -202988.7229 2479.1075 0.0000 0.0000 52275.5828 -108904.7324 300.4285 -161180.3151 -108537.1204 299.4011 81.0527 106.1113 762834.7287 -8.4204 -8.4326 PRESSURE: 1383200 -252.632 -97.6214 -125.172 -97.6207 -358.215 -27.6111 -125.172 -27.6105 -113.524 GPRESSURE: 1383200 -158.355 -95.9844 -171.994 -138.066 -286.575 -54.1465 -4.57919 -12.4154 -201.151 PRESSAVG: 1383200 10.2638 8.04492 0.541279 8.04496 -31.0586 -20.9985 0.541274 -20.9985 -1.93978 GPRESSAVG: 1383200 11.8252 6.89529 0.322914 8.86117 -31.6584 -22.7823 1.84925 -15.6603 -2.69921 TIMING: 1383200 CPU: 4371.99, 0.00319633/step Wall: 4371.99, 0.00319633/step, 3.21124 hours remaining, 233.082031 MB of memory in use. ENERGY: 1383200 3984.5622 20530.5010 14501.2701 231.8361 -202984.5588 2570.3393 0.0000 0.0000 52343.0711 -108822.9790 300.8163 -161166.0501 -108468.0824 300.2620 -241.4572 -215.3605 762887.3467 -7.5782 -7.5108 PRESSURE: 1383400 -163.948 -7.87055 -11.3344 -7.87098 42.189 203.915 -11.3345 203.915 70.9183 GPRESSURE: 1383400 -212.953 49.618 -37.1149 -9.17271 128.421 156.134 20.7702 57.2157 129.071 PRESSAVG: 1383400 -21.6129 -1.49284 -13.5784 -1.49279 -18.1774 -9.79193 -13.5783 -9.79191 9.68912 GPRESSAVG: 1383400 -22.8546 -3.00086 -14.4975 1.35384 -18.0392 -9.46021 -10.9878 -13.1085 10.2131 TIMING: 1383400 CPU: 4372.63, 0.00320233/step Wall: 4372.63, 0.00320233/step, 3.21709 hours remaining, 233.082031 MB of memory in use. ENERGY: 1383400 4015.5907 20549.1045 14510.7324 247.1484 -202758.4717 2530.1092 0.0000 0.0000 52134.2951 -108771.4915 299.6165 -160905.7865 -108415.3776 300.1943 -16.9468 14.8464 762625.5650 -10.0337 -10.2269 PRESSURE: 1383600 55.4821 -94.7531 7.0603 -94.7532 -99.1252 -242.865 7.06021 -242.864 -246.373 GPRESSURE: 1383600 147.994 -22.5151 52.058 -110.299 -95.9594 -213.441 21.6837 -230.71 -265.221 PRESSAVG: 1383600 -3.03095 9.69759 -10.2013 9.69767 38.2547 -9.50746 -10.2013 -9.50742 25.5483 GPRESSAVG: 1383600 -3.78131 14.9872 -8.19258 7.80447 39.4093 -9.45956 -13.0814 -7.86503 24.9387 TIMING: 1383600 CPU: 4373.27, 0.00319226/step Wall: 4373.27, 0.00319226/step, 3.20681 hours remaining, 233.082031 MB of memory in use. ENERGY: 1383600 3985.3920 20634.1826 14526.7040 275.1160 -202862.5382 2456.8234 0.0000 0.0000 52072.7868 -108911.5335 299.2630 -160984.3203 -108557.9676 299.4407 -96.6722 -71.0621 763794.8125 20.2573 20.1889 PRESSURE: 1383800 -525.523 120.63 253.182 120.63 45.7909 -91.0912 253.182 -91.0915 -43.5727 GPRESSURE: 1383800 -420.392 40.785 226.654 22.9736 -24.04 -88.3998 243.898 4.46877 -3.82871 PRESSAVG: 1383800 -31.458 6.29291 -39.3173 6.29297 54.5999 7.56216 -39.3173 7.56214 -2.37896 GPRESSAVG: 1383800 -30.6688 2.85807 -40.6089 5.6455 54.2238 7.76465 -36.0557 6.60965 -2.60907 TIMING: 1383800 CPU: 4373.91, 0.00320835/step Wall: 4373.91, 0.00320835/step, 3.22278 hours remaining, 233.082031 MB of memory in use. ENERGY: 1383800 3890.2877 20623.6136 14560.0791 255.8649 -202461.1555 2265.1078 0.0000 0.0000 52031.6681 -108834.5343 299.0267 -160866.2024 -108467.0162 299.6924 -174.4350 -149.4203 764502.7611 6.9210 6.9820 PRESSURE: 1384000 198.572 -107.754 -215.807 -107.754 43.3965 -219.463 -215.806 -219.464 -73.4953 GPRESSURE: 1384000 215.375 -100.243 -339.852 -51.2377 37.5286 -202.63 -200.225 -236.05 -8.56019 PRESSAVG: 1384000 -15.2545 30.688 -43.5164 30.688 30.1294 -1.1998 -43.5164 -1.19974 7.79209 GPRESSAVG: 1384000 -16.2716 30.2581 -42.4552 29.8184 29.3641 -1.81301 -45.1903 -0.350315 9.31271 TIMING: 1384000 CPU: 4374.55, 0.00319803/step Wall: 4374.55, 0.00319803/step, 3.21225 hours remaining, 233.082031 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: 1384000 4014.9481 20502.7841 14488.7457 259.2223 -203517.5040 2876.0925 0.0000 0.0000 52511.6312 -108864.0801 301.7851 -161375.7113 -108497.7414 300.2082 56.1578 81.4477 762827.7954 7.5556 7.4684 PRESSURE: 1384200 -292.719 -17.8239 -166.584 -17.8244 -113.696 15.481 -166.584 15.4809 257.323 GPRESSURE: 1384200 -142.517 118.414 -137.165 -15.9775 -109.817 -22.1542 -149.923 -32.5913 184.279 PRESSAVG: 1384200 53.0085 8.69794 6.19421 8.69792 -90.7281 -12.1706 6.19425 -12.1706 -6.13057 GPRESSAVG: 1384200 54.3937 9.44461 7.78195 9.45391 -91.0526 -13.5733 5.05685 -11.2156 -7.5702 TIMING: 1384200 CPU: 4375.18, 0.00318551/step Wall: 4375.18, 0.00318551/step, 3.19949 hours remaining, 233.082031 MB of memory in use. ENERGY: 1384200 4058.3307 20528.6333 14503.4597 248.4010 -202997.8699 2639.2010 0.0000 0.0000 52351.6179 -108668.2263 300.8655 -161019.8442 -108301.6957 300.6689 -49.6973 -22.6852 763652.7062 -14.6167 -14.7430 LDB: ============= START OF LOAD BALANCING ============== 4387.72 LDB: ============== END OF LOAD BALANCING =============== 4387.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4387.72 LDB: ============= START OF LOAD BALANCING ============== 4388.04 LDB: Largest compute 7032 load 0.031777 is 16.3% of average load 0.195275 LDB: Average compute 0.004421 is 2.3% of average load 0.195275 LDB: TIME 4388.05 LOAD: AVG 0.195275 MAX 0.215988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.91 MB LDB: TIME 4388.05 LOAD: AVG 0.195275 MAX 0.215988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: TIME 4388.05 LOAD: AVG 0.195275 MAX 0.215988 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.949 MB LDB: ============== END OF LOAD BALANCING =============== 4388.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4388.05 PRESSURE: 1384400 88.1456 139.788 69.4278 139.788 287.057 48.3824 69.4276 48.3825 -48.1904 GPRESSURE: 1384400 161.307 56.5898 31.2208 298.135 282.659 2.80196 77.0439 162.846 -21.1048 PRESSAVG: 1384400 7.77234 24.4852 -50.094 24.4852 41.8002 -18.9448 -50.094 -18.9449 -13.9699 GPRESSAVG: 1384400 6.99196 25.0459 -52.3941 25.5618 42.1212 -15.7152 -49.1943 -22.5676 -13.7588 TIMING: 1384400 CPU: 4375.84, 0.00326693/step Wall: 4375.84, 0.00326693/step, 3.28108 hours remaining, 232.300781 MB of memory in use. ENERGY: 1384400 3990.0886 20674.2838 14523.3190 234.3470 -203359.0966 2774.7662 0.0000 0.0000 52442.1815 -108720.1105 301.3859 -161162.2920 -108349.6189 300.7270 109.0041 140.9538 762749.6773 11.8676 11.7848 PRESSURE: 1384600 499.636 16.8305 -84.7603 16.8299 138.813 -118.435 -84.76 -118.434 0.90453 GPRESSURE: 1384600 437.39 8.69176 14.7493 57.53 228.567 -16.1172 -201.142 -109.146 51.2584 PRESSAVG: 1384600 -3.7256 -5.03332 -15.1074 -5.03334 -55.105 14.6576 -15.1074 14.6576 4.38242 GPRESSAVG: 1384600 -4.09953 -4.17109 -16.2673 -5.21448 -55.8691 13.0398 -15.558 14.9289 4.74125 TIMING: 1384600 CPU: 4376.48, 0.0031991/step Wall: 4376.48, 0.0031991/step, 3.21278 hours remaining, 232.503906 MB of memory in use. ENERGY: 1384600 4057.8050 20662.9759 14547.9712 246.5783 -203215.6983 2931.3938 0.0000 0.0000 51970.8229 -108798.1511 298.6770 -160768.9741 -108437.6860 300.7459 213.1176 239.0717 762511.0952 -18.1494 -18.4091 PRESSURE: 1384800 234.469 -82.7719 105.37 -82.7717 230.296 -136.812 105.37 -136.811 -24.7254 GPRESSURE: 1384800 248.526 -98.1606 245.044 -39.8437 295.611 -95.9099 127.969 -118.219 -20.1774 PRESSAVG: 1384800 -18.3456 32.2962 -42.0712 32.2962 57.8683 17.6892 -42.0712 17.6892 -3.87137 GPRESSAVG: 1384800 -18.6587 31.5123 -38.7801 32.1149 57.4617 16.98 -41.8004 19.3282 -3.66686 TIMING: 1384800 CPU: 4377.11, 0.00318101/step Wall: 4377.11, 0.00318101/step, 3.19445 hours remaining, 232.503906 MB of memory in use. ENERGY: 1384800 4032.5798 20776.2495 14588.1814 244.4050 -203692.9033 2747.6763 0.0000 0.0000 52430.1158 -108873.6957 301.3166 -161303.8115 -108519.5643 300.5559 146.6800 174.6533 760375.5092 11.8838 11.7121 PRESSURE: 1385000 -20.0644 238.98 184.282 238.981 28.9103 1.72791 184.281 1.7287 91.4313 GPRESSURE: 1385000 35.2289 229.775 161.554 147.633 127.136 53.7992 306.948 -5.2703 9.00993 PRESSAVG: 1385000 27.9535 5.13924 34.3394 5.13929 46.6529 -10.2749 34.3394 -10.275 8.90179 GPRESSAVG: 1385000 27.7169 3.01548 32.8075 5.38263 48.0149 -8.70796 34.0462 -12.0466 7.24375 TIMING: 1385000 CPU: 4377.75, 0.00319047/step Wall: 4377.75, 0.00319047/step, 3.20376 hours remaining, 232.503906 MB of memory in use. ENERGY: 1385000 4065.4506 20742.0008 14504.9809 230.7468 -203011.1380 2469.9052 0.0000 0.0000 51960.1628 -109037.8909 298.6158 -160998.0537 -108683.3805 299.8811 33.4257 57.1249 761820.9524 27.8361 27.6585 PRESSURE: 1385200 294.772 113.245 128.535 113.245 -1.51573 -97.0933 128.535 -97.0942 -10.4993 GPRESSURE: 1385200 358.192 45.5802 113.905 85.3489 24.6369 -178.575 79.9664 2.04786 0.624938 PRESSAVG: 1385200 -63.4414 -12.632 0.189467 -12.6319 106.882 -48.8416 0.189496 -48.8416 7.3494 GPRESSAVG: 1385200 -63.2068 -11.7122 0.349296 -13.2102 105.178 -49.8374 1.29767 -47.7858 9.13265 TIMING: 1385200 CPU: 4378.39, 0.00318014/step Wall: 4378.39, 0.00318014/step, 3.19321 hours remaining, 232.503906 MB of memory in use. ENERGY: 1385200 4007.4158 20554.5983 14563.7180 235.4361 -203382.8399 2869.4295 0.0000 0.0000 52214.4303 -108937.8119 300.0770 -161152.2422 -108574.0797 299.4480 94.2523 127.8178 762105.4338 16.9300 17.0345 PRESSURE: 1385400 -51.9731 -183.329 43.834 -183.329 133.182 -260.406 43.8342 -260.406 135.515 GPRESSURE: 1385400 -116.219 -224.183 7.07264 -237.302 288.72 -315.265 75.5023 -178.151 149.932 PRESSAVG: 1385400 -98.8634 1.69148 29.2331 1.69151 86.4777 17.6302 29.2331 17.6301 -18.7391 GPRESSAVG: 1385400 -99.0426 0.573078 29.2205 4.11149 88.1429 17.3358 29.2576 18.2028 -20.0772 TIMING: 1385400 CPU: 4379.03, 0.00319525/step Wall: 4379.03, 0.00319525/step, 3.20821 hours remaining, 232.503906 MB of memory in use. ENERGY: 1385400 4053.3265 20497.0374 14528.7840 242.7122 -203424.1425 2645.0840 0.0000 0.0000 52323.7453 -109133.4530 300.7053 -161457.1984 -108768.7367 300.0106 72.2414 107.4777 761867.8746 -10.3750 -10.3256 PRESSURE: 1385600 -13.7178 27.3597 -52.207 27.36 150.993 -71.9516 -52.2073 -71.9512 -166.615 GPRESSURE: 1385600 32.5596 30.6161 -88.8978 69.9815 146.215 -62.8158 -17.0232 36.3099 -121.194 PRESSAVG: 1385600 17.347 -44.7326 -38.7177 -44.7326 36.2953 -53.1621 -38.7176 -53.1622 -6.62406 GPRESSAVG: 1385600 17.9672 -42.7021 -39.9595 -46.7207 35.5482 -52.1475 -37.6162 -53.8025 -5.84218 TIMING: 1385600 CPU: 4379.67, 0.00319181/step Wall: 4379.67, 0.00319181/step, 3.20457 hours remaining, 232.503906 MB of memory in use. ENERGY: 1385600 3964.0449 20603.8651 14489.4500 262.5743 -203681.4672 2806.6994 0.0000 0.0000 52406.8858 -109147.9477 301.1831 -161554.8335 -108777.7067 299.6309 -9.7799 19.1936 763130.7732 15.6728 15.8911 PRESSURE: 1385800 -171.883 -72.9237 -157.33 -72.9237 -31.8402 92.7646 -157.33 92.7652 148.096 GPRESSURE: 1385800 -148.378 -75.172 -134.998 -34.9786 37.7435 141.058 -264.161 125.038 140.21 PRESSAVG: 1385800 -72.3244 -23.2072 5.78876 -23.2071 28.1086 -38.357 5.7887 -38.357 -7.90221 GPRESSAVG: 1385800 -72.9558 -23.8099 5.82077 -22.4901 27.829 -37.2692 3.5496 -37.2997 -7.07637 TIMING: 1385800 CPU: 4380.3, 0.00318115/step Wall: 4380.3, 0.00318115/step, 3.1937 hours remaining, 232.503906 MB of memory in use. ENERGY: 1385800 4004.5447 20596.9026 14533.1229 242.3066 -203462.8018 2736.9451 0.0000 0.0000 52258.1545 -109090.8254 300.3283 -161348.9799 -108726.7497 299.6420 -18.5424 9.8586 762779.6545 -17.3727 -17.4011 PRESSURE: 1386000 184.834 -135.399 39.1707 -135.399 -50.3385 45.8614 39.1705 45.8624 62.4893 GPRESSURE: 1386000 110.736 -46.9368 54.4479 -88.5879 62.0529 150.121 39.0162 16.973 102.244 PRESSAVG: 1386000 -52.5782 2.20613 -2.85289 2.20612 52.0637 17.7926 -2.85287 17.7925 19.1133 GPRESSAVG: 1386000 -52.2717 2.6328 -2.43581 1.64152 51.7463 16.7065 -2.52952 18.5872 18.8728 TIMING: 1386000 CPU: 4380.94, 0.00317044/step Wall: 4380.94, 0.00317044/step, 3.18277 hours remaining, 232.503906 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: 1386000 4024.8593 20741.0944 14531.3553 253.3128 -203097.7193 2616.0777 0.0000 0.0000 52113.9771 -108817.0426 299.4997 -160931.0197 -108465.9822 300.5925 65.6617 91.6775 764366.9588 6.1996 6.1158 PRESSURE: 1386200 52.6499 -129.879 49.7064 -129.878 -129.778 -42.2067 49.7073 -42.2075 -170.543 GPRESSURE: 1386200 37.9107 -74.1515 100.35 -41.897 -82.3106 -35.1414 87.4061 -131.213 -121.755 PRESSAVG: 1386200 -8.5086 31.4201 16.5107 31.4201 -0.0950073 13.6254 16.5107 13.6254 10.294 GPRESSAVG: 1386200 -9.08712 31.892 17.1007 30.3519 0.699333 14.2609 17.1811 11.3408 10.4786 TIMING: 1386200 CPU: 4381.57, 0.00317173/step Wall: 4381.57, 0.00317173/step, 3.18389 hours remaining, 232.503906 MB of memory in use. ENERGY: 1386200 4013.3227 20657.0178 14509.6436 231.4861 -203264.1343 2796.5901 0.0000 0.0000 52139.7564 -108916.3176 299.6479 -161056.0740 -108553.2477 300.7548 -82.5570 -55.3851 764007.5998 0.5635 0.6969 PRESSURE: 1386400 57.7209 3.38889 166.666 3.38884 135.362 100.099 166.666 100.099 -26.6789 GPRESSURE: 1386400 28.1151 32.5778 162.727 -5.85762 181.784 207.719 35.5963 165.526 41.9379 PRESSAVG: 1386400 -67.8322 44.2309 16.3306 44.2309 10.6463 -44.1464 16.3306 -44.1465 -18.5692 GPRESSAVG: 1386400 -68.347 45.6462 16.2247 42.9566 10.908 -45.6266 18.1093 -43.137 -18.3234 TIMING: 1386400 CPU: 4382.21, 0.00317803/step Wall: 4382.21, 0.00317803/step, 3.19004 hours remaining, 232.503906 MB of memory in use. ENERGY: 1386400 3974.7246 20637.1772 14438.4114 230.2777 -202891.0582 2680.9906 0.0000 0.0000 51950.1183 -108979.3583 298.5580 -160929.4767 -108610.9987 300.2057 55.4680 83.9457 764772.7977 -25.2517 -25.2541 PRESSURE: 1386600 -296.246 146.58 -415.624 146.579 62.7023 54.9782 -415.623 54.9764 54.7118 GPRESSURE: 1386600 -164.291 107.861 -330.708 -54.8909 50.8226 50.7056 -399.352 0.0974932 27.2929 PRESSAVG: 1386600 -54.5104 8.12459 -9.24103 8.12466 82.8102 12.1216 -9.24103 12.1216 21.9098 GPRESSAVG: 1386600 -53.1564 6.08536 -10.4176 10.5173 82.162 11.6275 -9.66282 10.2911 20.8386 TIMING: 1386600 CPU: 4382.85, 0.00319747/step Wall: 4382.85, 0.00319747/step, 3.20937 hours remaining, 232.503906 MB of memory in use. ENERGY: 1386600 3944.9914 20474.4615 14519.0302 275.4462 -203438.7338 2724.7361 0.0000 0.0000 52248.4752 -109251.5933 300.2727 -161500.0684 -108873.8909 299.4916 -59.6108 -28.7251 761861.3028 16.7366 16.6148 PRESSURE: 1386800 -131.161 142.783 86.9781 142.783 182.128 4.25069 86.9787 4.25087 205.647 GPRESSURE: 1386800 -142.744 150.935 51.0588 62.2072 236.716 103.755 173.256 -76.5805 242.291 PRESSAVG: 1386800 -41.759 29.2439 13.4909 29.2439 -13.044 0.262951 13.4908 0.263061 6.85015 GPRESSAVG: 1386800 -41.9505 29.997 14.3333 28.876 -12.2119 -0.881038 10.2569 2.99989 6.63779 TIMING: 1386800 CPU: 4383.48, 0.00319361/step Wall: 4383.48, 0.00319361/step, 3.20532 hours remaining, 232.503906 MB of memory in use. ENERGY: 1386800 4023.7742 20459.0399 14481.6197 230.8408 -202939.6586 2546.7451 0.0000 0.0000 52071.1677 -109126.4713 299.2537 -161197.6390 -108762.9742 299.2963 85.5383 112.0876 761292.4718 -15.9843 -15.8415 PRESSURE: 1387000 -115.59 87.1522 -93.1324 87.1522 -83.5496 160.201 -93.1318 160.201 123.676 GPRESSURE: 1387000 -120.401 60.4867 -63.4419 116.076 5.67662 114.409 -92.6109 74.408 132.762 PRESSAVG: 1387000 -23.4796 18.512 78.9168 18.5119 40.6465 7.4709 78.9168 7.47088 6.95836 GPRESSAVG: 1387000 -24.241 16.615 78.0726 18.3089 39.5923 8.82753 80.2538 7.71533 8.856 TIMING: 1387000 CPU: 4384.12, 0.00319063/step Wall: 4384.12, 0.00319063/step, 3.20215 hours remaining, 232.503906 MB of memory in use. ENERGY: 1387000 4034.7692 20664.5225 14472.2680 225.7123 -203281.5775 2623.7395 0.0000 0.0000 51928.1616 -109332.4044 298.4319 -161260.5660 -108978.3515 299.3198 -25.1545 6.0126 761135.0419 8.0418 8.0691 PRESSURE: 1387200 -463.636 123.401 23.9216 123.401 -180.626 85.4029 23.921 85.4021 -15.0732 GPRESSURE: 1387200 -384.866 -8.98923 70.4043 117.46 -105.547 75.5104 -55.554 -3.60075 -95.1993 PRESSAVG: 1387200 -30.6673 29.3333 -29.4028 29.3333 17.4932 -38.0697 -29.4028 -38.0697 12.6218 GPRESSAVG: 1387200 -30.8579 31.7364 -28.578 29.3683 17.5885 -38.8717 -28.496 -39.499 12.8041 TIMING: 1387200 CPU: 4384.76, 0.00318739/step Wall: 4384.76, 0.00318739/step, 3.19872 hours remaining, 232.503906 MB of memory in use. ENERGY: 1387200 4024.7106 20553.9812 14464.6327 242.4421 -202960.6137 2420.8707 0.0000 0.0000 51941.9504 -109312.0261 298.5111 -161253.9764 -108943.2228 299.1768 -219.7786 -195.2041 761127.0775 -0.1841 -0.1551 PRESSURE: 1387400 275.382 139.751 -108.549 139.751 -168.774 -11.284 -108.549 -11.285 132.268 GPRESSURE: 1387400 216.97 69.25 -65.7092 169.973 -92.6823 5.27794 -121.924 -128.95 190.588 PRESSAVG: 1387400 8.64348 -0.105117 56.3884 -0.105134 7.75092 -57.1475 56.3885 -57.1475 22.0277 GPRESSAVG: 1387400 9.06037 -1.09003 55.9269 0.469288 7.73865 -57.0495 55.6923 -57.4012 21.8515 TIMING: 1387400 CPU: 4385.39, 0.0031691/step Wall: 4385.39, 0.0031691/step, 3.18019 hours remaining, 232.503906 MB of memory in use. ENERGY: 1387400 3970.0854 20539.8485 14482.0251 255.0583 -203087.0053 2694.1516 0.0000 0.0000 51966.9052 -109178.9311 298.6545 -161145.8363 -108812.6398 299.2580 79.6255 104.9586 761354.4880 12.8074 12.8835 PRESSURE: 1387600 -127.868 122.616 -29.2627 122.617 15.0704 92.7544 -29.2627 92.7551 -464.918 GPRESSURE: 1387600 -103.584 105.015 -48.0721 67.3146 -97.6232 105.768 10.9557 58.1183 -292.603 PRESSAVG: 1387600 25.562 33.165 8.36794 33.1649 17.6779 -1.10162 8.36797 -1.10158 31.3711 GPRESSAVG: 1387600 25.7075 31.445 9.03057 33.6425 17.5809 0.538007 8.18123 0.509118 31.9534 TIMING: 1387600 CPU: 4386.03, 0.0031695/step Wall: 4386.03, 0.0031695/step, 3.18042 hours remaining, 232.503906 MB of memory in use. ENERGY: 1387600 3988.0086 20411.2855 14519.0358 256.8478 -203052.5429 2570.8191 0.0000 0.0000 51911.1325 -109395.4136 298.3340 -161306.5460 -109028.1343 299.1554 -192.5718 -164.6035 760976.2724 24.8704 25.0806 PRESSURE: 1387800 77.3417 175.178 -138.89 175.177 -173.595 101.597 -138.89 101.597 4.78834 GPRESSURE: 1387800 213.07 163.3 -106.551 233.453 -204.072 170.744 -204.397 49.8823 -24.8281 PRESSAVG: 1387800 -51.1734 40.375 -40.094 40.375 40.0928 38.865 -40.094 38.8651 0.721741 GPRESSAVG: 1387800 -51.0259 42.4176 -40.3637 38.2762 40.0808 39.4621 -39.1774 36.7117 0.392689 TIMING: 1387800 CPU: 4386.66, 0.0031771/step Wall: 4386.66, 0.0031771/step, 3.18786 hours remaining, 232.503906 MB of memory in use. ENERGY: 1387800 3979.0945 20578.5495 14498.1760 234.8908 -203155.0322 2650.9950 0.0000 0.0000 52071.3632 -109141.9632 299.2548 -161213.3263 -108768.4309 298.8273 -30.4883 -5.2768 763022.1895 -3.4530 -3.5174 PRESSURE: 1388000 35.3868 117.189 -2.98577 117.188 -232.798 -36.2568 -2.98586 -36.2568 -253.424 GPRESSURE: 1388000 83.1989 36.1236 38.7803 125.227 -196.012 -124.915 -40.186 12.4542 -234.204 PRESSAVG: 1388000 23.7747 14.2148 -23.3205 14.2147 -2.34458 92.5559 -23.3205 92.5558 -8.30521 GPRESSAVG: 1388000 23.3448 12.7591 -22.7809 16.4347 -1.24685 90.5767 -22.6644 95.7894 -8.07368 TIMING: 1388000 CPU: 4387.3, 0.00317441/step Wall: 4387.3, 0.00317441/step, 3.185 hours remaining, 232.503906 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: 1388000 3962.7305 20607.1821 14510.3109 245.7229 -202942.3480 2361.5073 0.0000 0.0000 51925.4418 -109329.4526 298.4162 -161254.8943 -108965.8166 299.5358 -150.2782 -115.6726 763031.2677 4.3750 4.6748 PRESSURE: 1388200 -60.8805 -80.166 48.2342 -80.1666 -134.217 37.1755 48.2339 37.1755 34.6537 GPRESSURE: 1388200 -129.488 -24.9177 53.7953 -65.4367 -50.8184 33.5216 9.60778 136.347 101.862 PRESSAVG: 1388200 -9.38435 9.27044 5.94035 9.27031 30.6967 19.1161 5.94038 19.116 -30.1128 GPRESSAVG: 1388200 -9.10052 9.57719 6.13149 6.74045 30.8412 18.1135 5.23343 17.5016 -31.0925 TIMING: 1388200 CPU: 4387.94, 0.00319725/step Wall: 4387.94, 0.00319725/step, 3.20773 hours remaining, 232.503906 MB of memory in use. ENERGY: 1388200 3960.0384 20576.6299 14494.6886 248.4162 -203455.1240 2646.7871 0.0000 0.0000 52103.7921 -109424.7717 299.4412 -161528.5638 -109049.4461 298.7016 -53.4814 -26.1482 762320.0156 -2.9335 -3.1173 LDB: ============= START OF LOAD BALANCING ============== 4400.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4400.47 LDB: =============== DONE WITH MIGRATION ================ 4400.47 LDB: ============= START OF LOAD BALANCING ============== 4400.79 LDB: Largest compute 7032 load 0.032803 is 16.8% of average load 0.195374 LDB: Average compute 0.004405 is 2.3% of average load 0.195374 LDB: TIME 4400.8 LOAD: AVG 0.195374 MAX 0.215561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.836 MB LDB: TIME 4400.8 LOAD: AVG 0.195374 MAX 0.215561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: TIME 4400.8 LOAD: AVG 0.195374 MAX 0.215561 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.039 MB LDB: ============== END OF LOAD BALANCING =============== 4400.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4400.8 PRESSURE: 1388400 93.2638 53.6073 -55.9695 53.6083 -239.624 -49.231 -55.9691 -49.2307 -227.803 GPRESSURE: 1388400 96.7154 -41.8348 -29.0918 23.0424 -115.654 1.89144 -44.3686 -119.249 -249.096 PRESSAVG: 1388400 -65.5794 17.5796 -16.1 17.5797 37.6067 -28.2372 -16.1 -28.2373 -3.56744 GPRESSAVG: 1388400 -64.826 18.6244 -16.9539 18.755 37.3482 -28.1035 -16.5796 -29.1393 -3.35111 TIMING: 1388400 CPU: 4388.59, 0.00325199/step Wall: 4388.59, 0.00325199/step, 3.26247 hours remaining, 234.093750 MB of memory in use. ENERGY: 1388400 3964.7895 20613.1270 14438.4362 231.5272 -203287.1945 2725.6310 0.0000 0.0000 52064.7867 -109248.8970 299.2170 -161313.6837 -108886.8003 299.3933 -124.7209 -89.3447 762963.1574 -10.5134 -10.2763 PRESSURE: 1388600 -89.1991 -51.68 175.778 -51.6803 -39.8557 69.3883 175.778 69.3871 -156.526 GPRESSURE: 1388600 3.79299 -38.5485 210.848 -39.2407 -28.295 11.1664 179.463 65.8121 -185.712 PRESSAVG: 1388600 -63.3902 43.4976 -9.26655 43.4976 62.8119 -20.9737 -9.26655 -20.9737 29.0423 GPRESSAVG: 1388600 -64.5139 41.4803 -10.2523 43.3127 63.7094 -20.3668 -7.29816 -22.4169 28.8085 TIMING: 1388600 CPU: 4389.22, 0.00318273/step Wall: 4389.22, 0.00318272/step, 3.1928 hours remaining, 234.296875 MB of memory in use. ENERGY: 1388600 3990.7394 20558.2961 14580.1423 232.9928 -203521.8567 2803.9364 0.0000 0.0000 52157.9772 -109197.7726 299.7526 -161355.7498 -108830.6352 299.6139 -95.1935 -70.0715 764182.7308 9.4880 9.3346 PRESSURE: 1388800 -51.9657 -149.152 -44.2758 -149.152 -344.477 -50.8193 -44.276 -50.8196 -206.599 GPRESSURE: 1388800 -19.4318 -140.012 -39.245 -62.099 -322.368 23.6999 -73.0951 8.63988 -189.395 PRESSAVG: 1388800 -14.5939 43.3723 27.7518 43.3722 39.6841 -9.20583 27.7518 -9.20582 -6.07059 GPRESSAVG: 1388800 -14.2696 44.8699 30.3552 44.6329 39.7097 -9.65079 26.723 -7.76531 -6.22914 TIMING: 1388800 CPU: 4389.86, 0.00319797/step Wall: 4389.86, 0.00319797/step, 3.20792 hours remaining, 234.296875 MB of memory in use. ENERGY: 1388800 3926.7720 20509.2434 14527.8558 263.8027 -203364.6000 2581.2053 0.0000 0.0000 52125.3494 -109430.3713 299.5651 -161555.7207 -109067.6175 299.2894 -201.0138 -177.0649 762633.4539 6.3399 6.4036 PRESSURE: 1389000 -304.651 -55.0829 24.0562 -55.0833 -201.333 -211.541 24.056 -211.54 150.403 GPRESSURE: 1389000 -259.045 -123.091 4.92777 37.9829 -130.327 -274.69 121.145 -191.564 114.533 PRESSAVG: 1389000 -7.97538 12.7583 30.9151 12.7583 32.291 -24.6625 30.9151 -24.6625 -0.0968549 GPRESSAVG: 1389000 -7.79421 13.0656 31.377 11.5961 31.2266 -23.8161 30.9791 -23.4803 0.634906 TIMING: 1389000 CPU: 4390.5, 0.00317473/step Wall: 4390.5, 0.00317473/step, 3.18443 hours remaining, 234.296875 MB of memory in use. ENERGY: 1389000 4016.8615 20459.1824 14610.0290 249.1658 -203115.0403 2508.9902 0.0000 0.0000 51998.5161 -109272.2952 298.8362 -161270.8113 -108898.2845 299.1989 -118.5270 -91.6129 763146.3447 8.0729 8.0224 PRESSURE: 1389200 -153.655 -23.4575 -192.774 -23.457 103.171 63.2851 -192.774 63.2863 162.217 GPRESSURE: 1389200 -163.685 -36.4188 -237.565 -59.5273 134.526 13.3932 -87.7054 66.3837 216.139 PRESSAVG: 1389200 -42.7119 25.8534 24.9546 25.8533 15.3228 11.1231 24.9546 11.1232 -3.85921 GPRESSAVG: 1389200 -43.2222 25.2979 22.8183 26.812 16.88 10.34 24.8003 10.8826 -4.61924 TIMING: 1389200 CPU: 4391.14, 0.00318234/step Wall: 4391.14, 0.00318234/step, 3.19189 hours remaining, 234.296875 MB of memory in use. ENERGY: 1389200 3983.1182 20587.6357 14524.8862 240.0568 -203512.8896 2791.5150 0.0000 0.0000 52115.6563 -109270.0213 299.5094 -161385.6777 -108907.2785 299.5159 37.2445 62.3265 762587.8117 -10.4161 -10.3205 PRESSURE: 1389400 -136.003 -22.4461 76.5855 -22.4463 87.9753 -175.304 76.5861 -175.303 -2.60073 GPRESSURE: 1389400 -101.445 -48.7079 123.247 -23.2463 165.17 -124.413 59.9499 -233.566 -24.6536 PRESSAVG: 1389400 -42.2772 -9.76271 24.4859 -9.76272 -6.08256 -49.0493 24.4859 -49.0492 32.0929 GPRESSAVG: 1389400 -41.5357 -8.57752 24.6978 -10.989 -6.91066 -48.4464 24.7273 -50.5625 32.3482 TIMING: 1389400 CPU: 4391.77, 0.00317036/step Wall: 4391.77, 0.00317036/step, 3.17969 hours remaining, 234.296875 MB of memory in use. ENERGY: 1389400 4070.4214 20480.3396 14528.1807 249.3368 -203319.6597 2712.0397 0.0000 0.0000 51929.1017 -109350.2398 298.4373 -161279.3415 -108992.1744 299.0853 -16.8762 13.0239 762376.1432 -5.4223 -5.3661 PRESSURE: 1389600 -258.381 110.242 -66.706 110.241 -276.606 -90.7303 -66.707 -90.7292 -101.074 GPRESSURE: 1389600 -213.262 126.069 -63.0847 84.9195 -274.261 -133.601 85.1717 63.8038 -54.3626 PRESSAVG: 1389600 -29.7026 0.721936 18.2495 0.721947 -11.3894 -57.1197 18.2495 -57.1197 3.27426 GPRESSAVG: 1389600 -28.9242 -0.966387 19.2249 1.85045 -10.9342 -56.7066 17.9152 -57.1525 2.16116 TIMING: 1389600 CPU: 4392.41, 0.00319639/step Wall: 4392.41, 0.00319639/step, 3.20562 hours remaining, 234.296875 MB of memory in use. ENERGY: 1389600 4010.6196 20397.7362 14519.9206 229.1467 -202857.0157 2418.1639 0.0000 0.0000 52199.4496 -109081.9791 299.9910 -161281.4287 -108708.1536 299.2518 -212.0203 -180.6286 764523.1992 -12.6059 -12.5657 PRESSURE: 1389800 70.3647 -6.44119 -72.5354 -6.44043 -94.8621 -167.161 -72.5355 -167.162 -28.7866 GPRESSURE: 1389800 33.0357 -92.6094 -23.4012 -59.9091 -57.5557 -170.038 -103.456 -157.709 61.7721 PRESSAVG: 1389800 -19.6983 -13.9713 -8.31314 -13.9713 48.4439 -13.1153 -8.31318 -13.1154 5.20333 GPRESSAVG: 1389800 -20.3327 -10.5775 -9.91838 -17.0498 48.8845 -13.1593 -7.83942 -14.3143 5.37327 TIMING: 1389800 CPU: 4393.04, 0.00317583/step Wall: 4393.04, 0.00317583/step, 3.18483 hours remaining, 234.296875 MB of memory in use. ENERGY: 1389800 3948.0742 20550.9799 14472.1053 246.3267 -203108.1135 2479.1690 0.0000 0.0000 52223.5056 -109187.9528 300.1292 -161411.4584 -108826.0124 299.3843 -17.7613 12.4174 764486.0475 11.3163 11.3084 PRESSURE: 1390000 -116.276 -26.8719 -300.685 -26.872 106.653 -64.4474 -300.686 -64.4464 -259.615 GPRESSURE: 1390000 -50.608 -83.8367 -232.512 21.4491 51.2264 -48.4651 -249.872 50.7262 -184.671 PRESSAVG: 1390000 11.1481 -45.5895 -31.361 -45.5895 -3.158 0.623205 -31.361 0.6232 -9.45762 GPRESSAVG: 1390000 12.7299 -49.2884 -30.986 -40.9049 -4.30938 0.384923 -31.4468 1.24838 -9.13076 TIMING: 1390000 CPU: 4393.68, 0.00318849/step Wall: 4393.68, 0.00318849/step, 3.19735 hours remaining, 234.296875 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: 1390000 3996.2087 20553.1909 14516.6876 251.6098 -203688.4559 2898.4311 0.0000 0.0000 52027.0761 -109445.2517 299.0003 -161472.3278 -109091.3426 299.0227 -89.7462 -61.3509 762309.3602 -0.4892 -0.2367 PRESSURE: 1390200 -109.042 -203.858 -53.023 -203.858 -469.829 171.538 -53.0232 171.538 -119.927 GPRESSURE: 1390200 -114.521 -217.061 -23.4254 -188.394 -346.276 249.324 38.0243 124.512 -143.928 PRESSAVG: 1390200 -13.9797 9.95046 -11.599 9.95046 29.883 -23.1381 -11.5989 -23.138 17.9457 GPRESSAVG: 1390200 -14.1783 13.3058 -12.4229 6.86239 29.9101 -24.5456 -10.6262 -20.0821 18.5932 TIMING: 1390200 CPU: 4394.32, 0.00319893/step Wall: 4394.32, 0.00319893/step, 3.20764 hours remaining, 234.296875 MB of memory in use. ENERGY: 1390200 4030.5612 20498.0884 14617.5464 245.6983 -203277.0481 2554.5926 0.0000 0.0000 51888.3012 -109442.2599 298.2028 -161330.5610 -109075.6519 298.7981 -232.9326 -201.5753 764233.0570 11.2830 11.4417 PRESSURE: 1390400 153.642 175.369 17.4933 175.368 472.874 -164.218 17.4933 -164.218 419.113 GPRESSURE: 1390400 210.119 221.514 27.4189 102.441 499.767 -133.411 172.348 -124.539 414.446 PRESSAVG: 1390400 -42.3557 -2.88978 39.1687 -2.8898 10.6304 -20.3122 39.1687 -20.3122 5.16215 GPRESSAVG: 1390400 -42.8348 -1.67869 40.9139 -1.42441 11.8609 -18.7541 36.0426 -22.9159 4.71627 TIMING: 1390400 CPU: 4394.96, 0.00320623/step Wall: 4394.96, 0.00320623/step, 3.21478 hours remaining, 234.296875 MB of memory in use. ENERGY: 1390400 3972.0249 20476.0990 14604.1534 250.5253 -203059.4305 2655.6959 0.0000 0.0000 51957.5999 -109143.3321 298.6010 -161100.9321 -108777.6091 299.2935 348.5432 374.7772 762434.3946 -8.8544 -8.7526 PRESSURE: 1390600 -85.7148 128.267 69.0994 128.267 -59.7971 -62.0749 69.0991 -62.0748 165.423 GPRESSURE: 1390600 -58.8081 126.255 74.2567 175.656 47.3082 -60.4888 -8.23059 -188.146 129.812 PRESSAVG: 1390600 -33.2802 -46.4722 45.1517 -46.4723 16.187 -9.97568 45.1516 -9.97574 -16.4782 GPRESSAVG: 1390600 -32.9282 -49.9708 45.7929 -46.4992 15.4072 -9.76368 46.0975 -10.3486 -16.5225 TIMING: 1390600 CPU: 4395.6, 0.00318897/step Wall: 4395.6, 0.00318897/step, 3.19729 hours remaining, 234.296875 MB of memory in use. ENERGY: 1390600 4014.8986 20502.3359 14489.6664 244.2188 -203492.2701 3070.0568 0.0000 0.0000 52075.5212 -109095.5724 299.2787 -161171.0936 -108730.0330 299.8130 6.6369 39.4373 762381.5445 -11.1904 -11.3478 PRESSURE: 1390800 -42.8167 148.337 -144.451 148.337 -111.884 241.921 -144.451 241.922 253.453 GPRESSURE: 1390800 -2.7666 132.324 -178.503 167.592 -5.57015 253.579 -87.2692 216.785 198.739 PRESSAVG: 1390800 -4.07857 -32.3667 -0.647967 -32.3667 15.9243 19.417 -0.648009 19.417 -19.1503 GPRESSAVG: 1390800 -4.18878 -31.4956 -2.03491 -33.1335 16.3858 18.9891 -0.642326 19.0079 -19.8765 TIMING: 1390800 CPU: 4396.24, 0.00319238/step Wall: 4396.24, 0.00319238/step, 3.20054 hours remaining, 234.296875 MB of memory in use. ENERGY: 1390800 3940.5964 20509.4107 14578.3088 242.0638 -203448.9845 2599.6778 0.0000 0.0000 52354.1424 -109224.7846 300.8800 -161578.9269 -108859.8456 299.2989 32.9175 63.4673 761560.5288 -2.4348 -2.5598 PRESSURE: 1391000 149.864 35.4176 -74.7202 35.4169 -0.627563 -30.4475 -74.7198 -30.4472 -125.709 GPRESSURE: 1391000 222.052 119.669 -97.8912 4.57011 -81.5061 -160.94 1.12833 48.5525 -30.8274 PRESSAVG: 1391000 -17.5494 -28.2135 -2.91758 -28.2136 1.37671 -60.7772 -2.91762 -60.7772 24.46 GPRESSAVG: 1391000 -17.3882 -27.3648 -1.96949 -27.8064 0.421904 -59.7165 -2.81258 -60.2055 25.2377 TIMING: 1391000 CPU: 4396.88, 0.00318402/step Wall: 4396.88, 0.00318402/step, 3.19198 hours remaining, 234.296875 MB of memory in use. ENERGY: 1391000 4080.5114 20313.0770 14545.0032 253.3487 -203732.4712 3073.4218 0.0000 0.0000 52140.9538 -109326.1553 299.6548 -161467.1091 -108960.6090 299.2681 7.8426 36.5729 762895.9231 2.7624 2.7571 PRESSURE: 1391200 -195.001 16.096 103.389 16.0962 -35.6124 -58.5972 103.39 -58.5977 -181.219 GPRESSURE: 1391200 -135.044 -94.3988 78.8077 -63.1911 61.7549 -2.76555 123.838 -137.371 -257.747 PRESSAVG: 1391200 -39.0816 -44.6048 -3.37131 -44.6047 40.0408 -7.04273 -3.37129 -7.04271 8.32456 GPRESSAVG: 1391200 -39.7454 -46.0787 -4.9799 -44.6267 41.8977 -9.79284 -3.1831 -7.03716 7.27667 TIMING: 1391200 CPU: 4397.51, 0.00318647/step Wall: 4397.51, 0.00318647/step, 3.19426 hours remaining, 234.296875 MB of memory in use. ENERGY: 1391200 4047.6648 20540.2417 14446.3779 238.7343 -203284.2393 2641.4720 0.0000 0.0000 52097.1359 -109272.6127 299.4030 -161369.7486 -108903.3964 299.3852 -137.2775 -110.3452 763341.9984 3.0946 3.1430 PRESSURE: 1391400 -275.987 289.611 -78.026 289.611 -427.254 -50.4583 -78.0255 -50.4582 -98.791 GPRESSURE: 1391400 -294.682 278.673 41.7251 224.198 -326.708 -61.0908 -92.8271 -64.6615 -99.965 PRESSAVG: 1391400 1.05886 -5.51178 -24.2676 -5.51184 17.9993 -75.5186 -24.2676 -75.5187 16.9315 GPRESSAVG: 1391400 1.25158 -5.485 -23.6705 -7.06367 17.5586 -75.2017 -24.9847 -74.8706 17.3937 TIMING: 1391400 CPU: 4398.16, 0.00322632/step Wall: 4398.16, 0.00322632/step, 3.23403 hours remaining, 234.296875 MB of memory in use. ENERGY: 1391400 4048.4838 20562.1556 14672.3088 237.0552 -203321.1852 2607.3428 0.0000 0.0000 52039.6584 -109154.1806 299.0726 -161193.8390 -108796.0223 299.4596 -267.3440 -240.4519 764580.9412 11.9966 12.0680 PRESSURE: 1391600 -26.5764 10.4674 -1.31994 10.4663 231.53 117.058 -1.3201 117.058 247.784 GPRESSURE: 1391600 -38.9371 -21.4611 30.5753 103.92 200.275 18.649 60.1507 78.036 356.764 PRESSAVG: 1391600 -39.8205 0.204793 -4.85244 0.204781 40.9015 -37.1677 -4.85245 -37.1678 11.5705 GPRESSAVG: 1391600 -40.1337 1.13207 -3.71629 0.778553 39.852 -37.0533 -3.1795 -38.6018 12.2164 TIMING: 1391600 CPU: 4398.8, 0.00321431/step Wall: 4398.8, 0.00321431/step, 3.22181 hours remaining, 234.296875 MB of memory in use. ENERGY: 1391600 3949.5018 20545.0256 14587.3264 240.0816 -203617.7247 2937.6119 0.0000 0.0000 52068.8227 -109289.3547 299.2402 -161358.1774 -108926.8197 299.1564 150.9126 172.7006 760959.7958 4.2171 3.9782 PRESSURE: 1391800 433.897 -62.1369 -185.631 -62.1357 169.948 -325.656 -185.632 -325.656 293.81 GPRESSURE: 1391800 446.458 -113.482 -217.32 -17.6566 236.557 -297.98 -160.226 -205.451 287.743 PRESSAVG: 1391800 -46.9671 -3.3372 -28.9076 -3.33719 -7.81536 -38.7308 -28.9076 -38.7308 -24.1193 GPRESSAVG: 1391800 -47.1508 -2.98156 -29.77 -3.01648 -6.88194 -37.256 -31.1748 -40.391 -24.9291 TIMING: 1391800 CPU: 4399.44, 0.00319613/step Wall: 4399.44, 0.00319613/step, 3.20341 hours remaining, 234.296875 MB of memory in use. ENERGY: 1391800 3989.7037 20598.5324 14572.5685 254.4061 -203665.9560 3011.0539 0.0000 0.0000 51929.0202 -109310.6714 298.4368 -161239.6916 -108959.7065 299.0315 299.2184 323.5860 761561.1125 -26.3006 -26.3206 PRESSURE: 1392000 7.97837 252.274 -257.851 252.274 -9.57551 -135.287 -257.852 -135.287 -168.576 GPRESSURE: 1392000 105.645 192.483 -329.678 166.818 -47.2549 -184.874 -229.037 -145.994 -124.21 PRESSAVG: 1392000 61.0639 -3.51892 -63.4466 -3.5189 -67.014 -70.0292 -63.4466 -70.0292 23.7647 GPRESSAVG: 1392000 60.7249 -4.18632 -63.0396 -2.97519 -67.7477 -69.3973 -62.0827 -68.081 24.7342 TIMING: 1392000 CPU: 4400.08, 0.0031975/step Wall: 4400.08, 0.0031975/step, 3.20461 hours remaining, 234.296875 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: 1392000 4033.1322 20510.7839 14558.0398 255.7282 -203352.3525 2582.7072 0.0000 0.0000 52171.0657 -109240.8956 299.8278 -161411.9613 -108875.6350 299.6382 -56.7243 -21.9399 761957.4415 5.9382 5.9038 PRESSURE: 1392200 -393.882 -77.4891 80.467 -77.4888 23.8808 -69.8098 80.4673 -69.8092 117.764 GPRESSURE: 1392200 -353.526 -136.379 146.125 -32.2398 -7.35255 94.4651 39.0981 -148.479 191.971 PRESSAVG: 1392200 31.4632 24.0402 0.86582 24.0401 -43.8544 -15.8481 0.865899 -15.848 -5.13017 GPRESSAVG: 1392200 32.8072 25.1721 1.54707 24.0215 -44.656 -17.8008 0.751545 -17.1173 -5.73616 TIMING: 1392200 CPU: 4400.72, 0.00319891/step Wall: 4400.72, 0.00319891/step, 3.20584 hours remaining, 234.296875 MB of memory in use. ENERGY: 1392200 3985.3482 20486.6225 14546.5596 249.2864 -203690.7326 2732.0022 0.0000 0.0000 52453.6956 -109237.2181 301.4521 -161690.9138 -108869.0118 299.9645 -84.0789 -56.3025 761376.1741 -5.8405 -5.8616 LDB: ============= START OF LOAD BALANCING ============== 4413.26 LDB: ============== END OF LOAD BALANCING =============== 4413.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4413.26 LDB: ============= START OF LOAD BALANCING ============== 4413.58 LDB: Largest compute 7069 load 0.030558 is 15.6% of average load 0.195352 LDB: Average compute 0.004380 is 2.2% of average load 0.195352 LDB: TIME 4413.58 LOAD: AVG 0.195352 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.863 MB LDB: TIME 4413.58 LOAD: AVG 0.195352 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: TIME 4413.58 LOAD: AVG 0.195352 MAX 0.216707 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235 MB LDB: ============== END OF LOAD BALANCING =============== 4413.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4413.59 PRESSURE: 1392400 -217.942 -130.651 -160.788 -130.65 6.61033 55.2827 -160.787 55.2827 -160.694 GPRESSURE: 1392400 -177.765 -201.646 -158.477 -142.507 -41.32 6.32895 -156.179 43.7699 -72.4332 PRESSAVG: 1392400 25.0665 -35.6574 -18.9775 -35.6573 -26.3947 -30.3054 -18.9775 -30.3054 7.10222 GPRESSAVG: 1392400 23.808 -36.2495 -19.3641 -35.1313 -25.4757 -30.6423 -21.2988 -28.2634 7.30585 TIMING: 1392400 CPU: 4401.37, 0.00327682/step Wall: 4401.37, 0.00327682/step, 3.28374 hours remaining, 234.656250 MB of memory in use. ENERGY: 1392400 3959.0369 20639.4460 14502.0861 265.7480 -202753.7753 2423.1434 0.0000 0.0000 51873.2680 -109091.0469 298.1164 -160964.3149 -108731.5198 299.4423 -124.0087 -97.1728 763224.4899 1.9247 1.8794 PRESSURE: 1392600 58.0409 262.91 -294.815 262.91 -42.2103 169.779 -294.816 169.779 192.344 GPRESSURE: 1392600 -17.6443 267.93 -311.47 211.504 87.751 153.011 -119.407 253.247 209.867 PRESSAVG: 1392600 58.5409 31.1392 48.1746 31.1392 -43.5505 -27.8014 48.1746 -27.8015 14.3027 GPRESSAVG: 1392600 58.6639 31.7254 47.9724 29.0001 -44.291 -27.4959 48.321 -28.343 15.1383 TIMING: 1392600 CPU: 4402.01, 0.00319237/step Wall: 4402.01, 0.00319237/step, 3.19893 hours remaining, 235.117188 MB of memory in use. ENERGY: 1392600 3935.9213 20699.6052 14548.2686 254.2798 -203588.7776 2613.7066 0.0000 0.0000 52409.2071 -109127.7888 301.1964 -161536.9960 -108768.5449 299.6241 69.3917 93.3244 762191.4129 9.7644 9.8370 PRESSURE: 1392800 30.5899 107.038 129.011 107.038 -211.422 -203.345 129.011 -203.346 512.729 GPRESSURE: 1392800 62.489 151.899 122.304 -58.5639 -125.019 -249.333 82.3096 -243.165 478.016 PRESSAVG: 1392800 31.2528 39.1858 -43.6401 39.1858 -25.1916 0.64242 -43.64 0.642463 3.32316 GPRESSAVG: 1392800 32.3991 39.6633 -44.4961 40.1683 -23.8488 0.360631 -41.0831 3.51013 1.22889 TIMING: 1392800 CPU: 4402.65, 0.00317759/step Wall: 4402.65, 0.00317759/step, 3.18394 hours remaining, 235.117188 MB of memory in use. ENERGY: 1392800 4057.4647 20521.2445 14597.4555 242.5367 -203520.3220 2733.7352 0.0000 0.0000 52290.6436 -109077.2418 300.5150 -161367.8854 -108714.9517 299.8773 110.6325 138.4955 761687.7996 3.1281 3.2597 PRESSURE: 1393000 -105.306 -183.865 222.526 -183.866 305.756 272.785 222.526 272.785 -230.094 GPRESSURE: 1393000 -8.15676 -263.933 190.945 -241.512 229.379 242.939 88.6407 315.255 -160.819 PRESSAVG: 1393000 43.7339 -5.78388 -46.0148 -5.78388 -23.9775 52.4394 -46.0147 52.4394 13.3351 GPRESSAVG: 1393000 41.966 -7.37803 -45.7368 -6.17684 -23.3589 52.1791 -48.0821 49.1144 14.2459 TIMING: 1393000 CPU: 4403.29, 0.00318981/step Wall: 4403.29, 0.00318981/step, 3.19601 hours remaining, 235.175781 MB of memory in use. ENERGY: 1393000 4029.5821 20459.0854 14556.2700 234.7385 -203571.6772 2865.0876 0.0000 0.0000 52063.1505 -109363.7631 299.2076 -161426.9135 -109003.9124 300.2455 -9.8811 20.1342 759771.2325 11.0305 10.9510 PRESSURE: 1393200 -214.42 67.1202 -127.795 67.1203 160.494 -227.575 -127.795 -227.575 -87.0702 GPRESSURE: 1393200 -130.465 53.7689 -58.2846 9.02617 104.836 -214.011 -132.093 -76.9286 -8.74803 PRESSAVG: 1393200 15.5177 -18.7758 -0.0598975 -18.7759 43.4908 5.41778 -0.0599295 5.41785 0.287664 GPRESSAVG: 1393200 15.9476 -19.1295 0.2657 -17.7272 41.9664 7.05871 0.750517 4.44645 1.33145 TIMING: 1393200 CPU: 4403.92, 0.00317449/step Wall: 4403.92, 0.00317449/step, 3.18049 hours remaining, 235.187500 MB of memory in use. ENERGY: 1393200 4054.2808 20514.6013 14610.7824 237.2452 -203549.7965 2793.9603 0.0000 0.0000 51978.4828 -109360.4439 298.7211 -161338.9266 -108997.5480 299.5150 -46.9986 -11.4592 761984.7812 19.7654 19.7485 PRESSURE: 1393400 -130.999 42.1495 13.7737 42.1488 23.3045 -88.1405 13.7733 -88.1394 187.99 GPRESSURE: 1393400 -27.243 -5.7684 -65.6339 -49.7179 -19.7023 -56.271 102.668 27.1859 217.573 PRESSAVG: 1393400 25.1864 2.71966 -31.7543 2.71968 -31.165 -25.0155 -31.7543 -25.0155 41.6852 GPRESSAVG: 1393400 25.8375 5.27574 -33.0645 1.76962 -30.9757 -25.2755 -32.6877 -25.1795 40.7818 TIMING: 1393400 CPU: 4404.56, 0.00319206/step Wall: 4404.56, 0.00319206/step, 3.19792 hours remaining, 235.187500 MB of memory in use. ENERGY: 1393400 3986.2107 20461.4475 14631.9322 259.2080 -203481.2929 2731.8251 0.0000 0.0000 52177.7985 -109232.8710 299.8665 -161410.6695 -108879.7198 299.3762 26.7650 56.8760 762416.1616 11.9022 11.8812 PRESSURE: 1393600 -63.0778 -68.8913 39.691 -68.8905 -82.3481 6.06088 39.6914 6.05981 -376.941 GPRESSURE: 1393600 12.2729 15.4918 68.7539 -13.8898 -20.7445 -1.43146 -20.9197 28.9271 -405.51 PRESSAVG: 1393600 -13.875 1.86172 -30.1015 1.86171 -1.03597 25.684 -30.1015 25.684 6.44876 GPRESSAVG: 1393600 -13.9976 2.22786 -28.5428 0.983302 -0.27483 27.0337 -28.2903 26.4822 5.46727 TIMING: 1393600 CPU: 4405.2, 0.00317824/step Wall: 4405.2, 0.00317824/step, 3.18389 hours remaining, 235.187500 MB of memory in use. ENERGY: 1393600 4009.5028 20477.8296 14595.5757 233.7891 -203733.0082 2700.4683 0.0000 0.0000 52440.2472 -109275.5954 301.3748 -161715.8426 -108908.0473 299.3543 -174.1223 -137.9940 762696.8859 -2.8207 -2.9351 PRESSURE: 1393800 31.1004 32.0327 225.569 32.0323 -192.748 -193.237 225.569 -193.237 76.5836 GPRESSURE: 1393800 74.6998 -1.25101 212.31 78.557 -91.0693 -46.8262 160.773 -191.145 39.0115 PRESSAVG: 1393800 24.9515 49.8241 -23.8331 49.8242 -26.563 -23.2038 -23.8331 -23.2037 -1.23832 GPRESSAVG: 1393800 24.7822 49.5985 -23.0548 51.5091 -27.0647 -23.5449 -24.2537 -21.5779 -0.463054 TIMING: 1393800 CPU: 4405.83, 0.00316479/step Wall: 4405.83, 0.00316479/step, 3.17024 hours remaining, 235.398438 MB of memory in use. ENERGY: 1393800 4008.6790 20590.0552 14591.3353 270.2166 -203663.7126 2959.4821 0.0000 0.0000 52011.0163 -109232.9281 298.9080 -161243.9444 -108870.2000 299.4232 -28.3546 7.5473 762676.8440 -0.9499 -0.9152 PRESSURE: 1394000 197.064 -77.3597 -47.1375 -77.3598 21.689 168.055 -47.1368 168.054 91.5508 GPRESSURE: 1394000 130.329 -83.246 -20.7427 -97.4667 109.903 137.477 -135.281 156.72 143.751 PRESSAVG: 1394000 47.2531 53.9905 32.3498 53.9905 10.9798 10.2833 32.3498 10.2832 14.8269 GPRESSAVG: 1394000 47.6812 54.0027 32.9214 52.4788 9.91349 7.87803 31.6724 10.1744 14.7323 TIMING: 1394000 CPU: 4406.46, 0.00316678/step Wall: 4406.46, 0.00316678/step, 3.17206 hours remaining, 235.398438 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: 1394000 3936.0375 20618.3174 14510.6217 248.0476 -203688.3389 2944.3146 0.0000 0.0000 51966.4132 -109464.5870 298.6517 -161431.0001 -109101.4460 298.9000 103.4345 127.9943 762310.4722 24.3533 24.1090 PRESSURE: 1394200 -4.20609 -70.0122 -70.3776 -70.0121 -232.204 -88.9166 -70.3777 -88.9168 -423.849 GPRESSURE: 1394200 -59.3909 -35.8209 -31.8176 -110.983 -110.974 -125.093 21.0233 -142.155 -389.088 PRESSAVG: 1394200 74.8441 -9.7329 -45.7149 -9.7329 -19.6179 27.1729 -45.7149 27.173 -22.0324 GPRESSAVG: 1394200 74.3433 -10.7063 -47.1603 -7.33797 -17.5451 28.689 -44.7134 26.6522 -22.759 TIMING: 1394200 CPU: 4407.09, 0.003156/step Wall: 4407.09, 0.003156/step, 3.16108 hours remaining, 235.398438 MB of memory in use. ENERGY: 1394200 4026.4092 20577.4432 14547.5650 258.4207 -203709.5615 2681.4740 0.0000 0.0000 51857.1881 -109761.0613 298.0240 -161618.2494 -109405.6858 298.3864 -220.0863 -186.4841 762040.2166 11.0646 11.3464 PRESSURE: 1394400 -100.097 13.0996 -76.074 13.0994 273.56 -169.352 -76.0752 -169.352 335.016 GPRESSURE: 1394400 -105.64 -12.629 -104.753 -0.473828 310.95 -217.186 -81.6669 -141.154 391.04 PRESSAVG: 1394400 -19.1281 10.7238 -30.7053 10.7238 59.309 -126.845 -30.7053 -126.845 -2.6959 GPRESSAVG: 1394400 -19.0644 10.5859 -28.8298 10.1788 58.0561 -127.235 -32.4027 -125.355 -1.84258 TIMING: 1394400 CPU: 4407.73, 0.00318565/step Wall: 4407.73, 0.00318565/step, 3.19061 hours remaining, 235.398438 MB of memory in use. ENERGY: 1394400 4059.8873 20542.9208 14608.0584 231.3336 -204234.9556 3037.4132 0.0000 0.0000 51923.1778 -109832.1645 298.4032 -161755.3423 -109474.7413 298.3240 169.4930 198.7835 761995.1290 12.4950 12.3830 PRESSURE: 1394600 116.831 -56.9756 -326.174 -56.975 44.6723 -113.948 -326.174 -113.949 369.862 GPRESSURE: 1394600 105.089 -130.055 -303.594 -50.9491 43.9487 -69.2897 -272.412 88.9469 477.576 PRESSAVG: 1394600 55.3004 -3.00843 -52.9015 -3.00837 -41.4369 18.8224 -52.9015 18.8224 5.57061 GPRESSAVG: 1394600 56.1791 -1.50228 -54.9038 -3.28336 -43.1521 18.8078 -51.6387 19.7354 6.54085 TIMING: 1394600 CPU: 4408.37, 0.00318159/step Wall: 4408.37, 0.00318159/step, 3.18636 hours remaining, 235.398438 MB of memory in use. ENERGY: 1394600 3831.4098 20529.0943 14508.5955 265.0079 -203760.5144 3038.5742 0.0000 0.0000 52007.7727 -109580.0600 298.8894 -161587.8327 -109210.2846 297.9496 177.1218 208.8709 762582.9795 6.4780 6.5226 PRESSURE: 1394800 -4.43047 -152.047 26.0853 -152.047 -101.707 -103.16 26.086 -103.158 -99.8108 GPRESSURE: 1394800 6.24503 -2.22092 -13.1589 -278.513 -140.622 -165.655 -8.45643 -191.248 -18.8515 PRESSAVG: 1394800 -9.99256 11.5417 -41.1908 11.5417 -25.0804 -34.1915 -41.1907 -34.1916 6.51349 GPRESSAVG: 1394800 -10.8746 11.2869 -40.9118 11.6067 -24.6879 -34.9953 -39.8895 -33.6866 6.16352 TIMING: 1394800 CPU: 4409, 0.00316505/step Wall: 4409, 0.00316505/step, 3.16962 hours remaining, 235.398438 MB of memory in use. ENERGY: 1394800 4048.6277 20723.7416 14548.8676 252.5987 -203535.2735 2716.7905 0.0000 0.0000 51514.3231 -109730.3244 296.0535 -161244.6474 -109372.6217 297.9664 -68.6493 -51.0760 763741.9709 -9.5198 -9.7996 PRESSURE: 1395000 -467.785 346.271 5.62534 346.271 -342.948 -49.5864 5.62559 -49.5867 -212.54 GPRESSURE: 1395000 -468.849 291.396 85.5397 286.371 -281.366 5.38292 -17.1073 50.3254 -222.544 PRESSAVG: 1395000 -36.2096 14.8607 18.5344 14.8606 34.1537 -6.59705 18.5344 -6.59708 -1.59088 GPRESSAVG: 1395000 -36.9498 15.5007 20.193 14.0746 35.2802 -6.65148 15.8827 -8.74331 -2.55072 TIMING: 1395000 CPU: 4409.63, 0.00315651/step Wall: 4409.63, 0.00315651/step, 3.16089 hours remaining, 235.398438 MB of memory in use. ENERGY: 1395000 3996.5371 20466.1754 14601.1621 248.2332 -203280.1449 2341.1002 0.0000 0.0000 51856.1926 -109770.7442 298.0183 -161626.9368 -109406.7666 297.8077 -341.0909 -324.2532 763130.2488 -1.2156 -1.4068 PRESSURE: 1395200 180.455 -60.7465 158.82 -60.7462 -118.625 -62.2407 158.821 -62.2424 170.518 GPRESSURE: 1395200 88.9766 27.9489 164.773 -83.2254 -7.86466 -35.3414 110.347 -112.284 208.108 PRESSAVG: 1395200 2.66392 62.2184 -17.8384 62.2185 -20.2591 -42.5003 -17.8383 -42.5003 5.57039 GPRESSAVG: 1395200 3.55007 61.0089 -19.9057 62.7124 -20.4473 -41.3754 -16.9994 -41.0953 5.15363 TIMING: 1395200 CPU: 4410.26, 0.00315312/step Wall: 4410.26, 0.00315312/step, 3.15733 hours remaining, 235.398438 MB of memory in use. ENERGY: 1395200 3985.8450 20406.7072 14521.9522 242.1126 -203661.5788 2780.8059 0.0000 0.0000 51965.2062 -109758.9498 298.6448 -161724.1560 -109396.3193 297.3016 77.4492 96.4065 762793.3008 -4.0083 -3.9145 PRESSURE: 1395400 158.24 16.7532 12.3905 16.7536 201.687 -208.681 12.3897 -208.681 -171.235 GPRESSURE: 1395400 224.983 6.52655 45.6127 -29.1959 235.854 -214.345 -36.8476 -200.386 -182.923 PRESSAVG: 1395400 2.2082 7.76461 -37.255 7.76463 -24.9155 -12.4376 -37.255 -12.4377 17.2694 GPRESSAVG: 1395400 3.25178 8.65881 -35.0657 8.30255 -25.7176 -11.6493 -37.1976 -14.3165 17.4359 TIMING: 1395400 CPU: 4410.9, 0.00318041/step Wall: 4410.9, 0.00318041/step, 3.18448 hours remaining, 235.398438 MB of memory in use. ENERGY: 1395400 4020.5878 20462.8599 14456.0524 260.4266 -203971.1808 2960.1096 0.0000 0.0000 52216.6304 -109594.5140 300.0897 -161811.1444 -109237.4314 298.4582 62.8975 92.6380 762918.5229 -1.8126 -1.6767 PRESSURE: 1395600 -141.608 -165.49 -177.029 -165.49 -75.8053 -5.6471 -177.03 -5.64736 -345.852 GPRESSURE: 1395600 -144.673 -276.651 -277.863 -102.781 -75.5718 20.8536 -263.827 -19.3422 -261.964 PRESSAVG: 1395600 10.4683 -35.924 0.482214 -35.924 0.899134 -33.6133 0.482247 -33.6132 7.05709 GPRESSAVG: 1395600 9.42973 -37.0614 0.128623 -36.9794 1.54567 -33.7965 0.367023 -30.9729 7.45835 TIMING: 1395600 CPU: 4411.54, 0.00319031/step Wall: 4411.54, 0.00319031/step, 3.19421 hours remaining, 235.398438 MB of memory in use. ENERGY: 1395600 3936.6426 20490.1147 14530.5008 259.1524 -203189.7335 2622.3708 0.0000 0.0000 51891.4179 -109459.5344 298.2207 -161350.9522 -109091.0197 298.5708 -187.7552 -160.7362 763681.1854 6.1415 6.1446 PRESSURE: 1395800 -291.865 202.431 -49.3426 202.432 245.183 285.57 -49.3419 285.569 -270.299 GPRESSURE: 1395800 -193.76 119.954 -21.1156 208.865 183.7 182.042 -51.4317 348.362 -247.598 PRESSAVG: 1395800 6.15694 23.5566 11.5988 23.5566 5.14705 2.44555 11.5988 2.44555 19.9921 GPRESSAVG: 1395800 5.7507 22.9979 10.8049 24.4158 5.17297 1.05478 12.1782 0.121074 20.01 TIMING: 1395800 CPU: 4412.17, 0.00317886/step Wall: 4412.17, 0.00317886/step, 3.18257 hours remaining, 235.398438 MB of memory in use. ENERGY: 1395800 3935.3614 20570.2990 14550.0363 261.0064 -203980.0421 3025.1881 0.0000 0.0000 52319.5513 -109318.5996 300.6812 -161638.1509 -108958.3527 298.6772 -105.6601 -85.8860 762100.0593 10.4320 10.3112 PRESSURE: 1396000 -453.37 97.7127 -90.5529 97.7135 -120.855 105.974 -90.5525 105.974 180.167 GPRESSURE: 1396000 -362.657 26.2256 -60.4329 17.3773 0.325424 34.4491 -25.2506 84.9742 57.6556 PRESSAVG: 1396000 -21.6973 29.338 -0.394912 29.338 37.6736 -47.4118 -0.394964 -47.4118 -5.76206 GPRESSAVG: 1396000 -21.8559 28.3773 0.0661507 31.0363 38.2463 -45.8362 -0.378636 -47.7528 -6.10404 TIMING: 1396000 CPU: 4412.8, 0.00316031/step Wall: 4412.8, 0.00316031/step, 3.16382 hours remaining, 235.398438 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: 1396000 3979.0566 20482.5995 14529.2620 250.5187 -202987.1856 2459.4130 0.0000 0.0000 51803.1737 -109483.1622 297.7136 -161286.3359 -109123.8940 298.8278 -131.3529 -101.5586 761162.3189 3.4047 3.4288 PRESSURE: 1396200 -239.68 118.26 -37.9794 118.259 -27.1106 34.007 -37.9787 34.008 -36.2596 GPRESSURE: 1396200 -300.653 117.57 56.9073 126.396 -4.10868 40.2156 -12.8581 -42.3186 65.9067 PRESSAVG: 1396200 7.65483 1.51645 -4.25664 1.51648 30.4504 -23.7707 -4.2566 -23.7707 -6.67512 GPRESSAVG: 1396200 6.63451 5.30794 -3.47503 -0.285172 30.0193 -25.5018 -2.87398 -20.6093 -5.73208 TIMING: 1396200 CPU: 4413.44, 0.00318283/step Wall: 4413.44, 0.00318283/step, 3.18619 hours remaining, 235.398438 MB of memory in use. ENERGY: 1396200 4050.9347 20512.6305 14431.7825 255.7337 -203050.4798 2362.7748 0.0000 0.0000 52089.7535 -109346.8702 299.3605 -161436.6237 -108994.4193 299.2997 -101.0167 -79.6184 761546.3403 10.4767 10.3073 LDB: ============= START OF LOAD BALANCING ============== 4425.97 LDB: ============== END OF LOAD BALANCING =============== 4425.97 LDB: =============== DONE WITH MIGRATION ================ 4425.98 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 4426.29 LDB: Largest compute 7060 load 0.031632 is 16.2% of average load 0.195434 LDB: Average compute 0.004380 is 2.2% of average load 0.195434 LDB: TIME 4426.3 LOAD: AVG 0.195434 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.039 MB LDB: TIME 4426.3 LOAD: AVG 0.195434 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 4426.3 LOAD: AVG 0.195434 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 4426.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4426.3 PRESSURE: 1396400 -32.6933 -45.2553 -30.1329 -45.2556 -117.302 -86.7316 -30.1324 -86.7319 -87.1247 GPRESSURE: 1396400 -2.83866 -9.7439 -92.3128 95.2849 -74.3626 58.1593 -24.459 -60.3125 -74.432 PRESSAVG: 1396400 -22.0436 27.7429 -3.01916 27.7429 33.2581 -30.933 -3.01917 -30.933 7.55289 GPRESSAVG: 1396400 -20.8763 27.3177 -4.37573 28.986 33.1832 -28.6094 -4.57522 -33.3659 6.72174 TIMING: 1396400 CPU: 4414.09, 0.00322976/step Wall: 4414.09, 0.00322975/step, 3.23298 hours remaining, 233.257812 MB of memory in use. ENERGY: 1396400 4018.9036 20409.1497 14502.5096 244.7460 -203377.0283 2701.2147 0.0000 0.0000 52097.2307 -109403.2739 299.4035 -161500.5047 -109040.0516 299.5084 -79.0400 -50.5444 761836.2580 6.2558 6.3429 PRESSURE: 1396600 -504.571 184.022 131.02 184.022 -86.0169 -32.7437 131.02 -32.7446 -322.479 GPRESSURE: 1396600 -470.702 137.506 77.813 197.441 -6.30373 14.0102 71.9534 -77.2105 -342.026 PRESSAVG: 1396600 -14.5924 40.7135 21.5348 40.7135 13.9731 21.261 21.5348 21.261 -11.2127 GPRESSAVG: 1396600 -13.6018 38.624 21.5523 40.435 14.0515 18.9019 21.8189 23.4472 -12.3915 TIMING: 1396600 CPU: 4414.72, 0.00316917/step Wall: 4414.72, 0.00316917/step, 3.17217 hours remaining, 233.257812 MB of memory in use. ENERGY: 1396600 3933.0312 20307.5746 14433.6932 243.8586 -203396.0514 2535.1246 0.0000 0.0000 52285.7371 -109657.0321 300.4868 -161942.7692 -109287.1026 299.0433 -304.3557 -273.0106 761363.2919 -3.9440 -3.9806 PRESSURE: 1396800 132.295 29.2538 80.7518 29.2541 -333.142 93.4702 80.7515 93.4699 50.2598 GPRESSURE: 1396800 105.591 103.489 89.3036 -37.0816 -264.4 4.00307 223.411 51.3315 86.3968 PRESSAVG: 1396800 19.979 10.1746 8.23378 10.1746 -0.917018 21.6781 8.23384 21.6782 -14.7525 GPRESSAVG: 1396800 17.7788 9.61019 8.44023 11.9409 0.588162 22.9036 9.20943 20.9292 -14.2493 TIMING: 1396800 CPU: 4415.36, 0.00319249/step Wall: 4415.36, 0.0031925/step, 3.19533 hours remaining, 233.257812 MB of memory in use. ENERGY: 1396800 3986.0657 20591.1516 14459.9080 271.7493 -203433.1669 2703.5926 0.0000 0.0000 51761.9186 -109658.7812 297.4765 -161420.6998 -109295.6655 298.5518 -50.1955 -24.1374 761218.0285 1.4365 1.3726 PRESSURE: 1397000 251.439 -109.479 39.1862 -109.479 169.457 52.2595 39.1857 52.259 36.7859 GPRESSURE: 1397000 331.22 -177.99 39.8177 -163.413 154.843 138.41 -71.4684 -43.6247 46.7235 PRESSAVG: 1397000 1.76307 -15.5799 5.89606 -15.5799 9.90762 50.3057 5.89606 50.3058 5.99864 GPRESSAVG: 1397000 2.72847 -13.2865 5.21711 -18.6388 8.76688 48.4533 4.08279 49.9743 5.69929 TIMING: 1397000 CPU: 4415.99, 0.00316471/step Wall: 4415.99, 0.00316471/step, 3.16735 hours remaining, 233.257812 MB of memory in use. ENERGY: 1397000 3943.6756 20537.8957 14421.9100 249.8468 -203781.6467 3043.9567 0.0000 0.0000 52117.6450 -109466.7170 299.5208 -161584.3620 -109099.7665 298.7654 152.5605 177.5956 764058.7094 5.8898 5.7315 PRESSURE: 1397200 -151.381 57.0503 -15.022 57.0503 180.015 -2.89133 -15.022 -2.89103 79.1759 GPRESSURE: 1397200 -157.015 -55.2085 -100.169 49.6485 257.581 70.1944 -9.04962 -35.9171 84.4243 PRESSAVG: 1397200 -34.9904 -9.73904 13.8687 -9.73901 12.1167 45.6557 13.8688 45.6556 -29.8233 GPRESSAVG: 1397200 -35.1786 -12.5285 13.8121 -8.27781 12.4696 48.7931 15.3015 45.1503 -29.7594 TIMING: 1397200 CPU: 4416.63, 0.00317635/step Wall: 4416.63, 0.00317635/step, 3.17882 hours remaining, 233.257812 MB of memory in use. ENERGY: 1397200 4010.0555 20525.5492 14495.9500 225.5560 -203565.7495 2918.6764 0.0000 0.0000 51764.2212 -109625.7410 297.4897 -161389.9623 -109268.6881 298.4701 35.9367 61.6632 763509.9856 -17.5656 -17.4895 PRESSURE: 1397400 199.643 19.6135 54.4495 19.6141 -417.864 -49.9262 54.4501 -49.926 121.653 GPRESSURE: 1397400 242.383 -68.2472 82.6785 60.8848 -293.683 -31.2238 -14.3358 39.5436 52.1975 PRESSAVG: 1397400 -10.7292 -45.9565 31.5195 -45.9564 42.0352 12.2109 31.5195 12.211 9.15371 GPRESSAVG: 1397400 -9.92707 -45.0956 32.8913 -46.0976 40.8532 10.5921 32.4196 15.1595 9.26958 TIMING: 1397400 CPU: 4417.26, 0.00318801/step Wall: 4417.26, 0.00318801/step, 3.19031 hours remaining, 233.257812 MB of memory in use. ENERGY: 1397400 3986.8181 20497.6318 14516.5966 248.6151 -203640.8175 2728.7209 0.0000 0.0000 51967.7152 -109694.7199 298.6592 -161662.4350 -109327.6501 298.1366 -32.1897 0.2994 762370.9173 13.4866 13.3986 PRESSURE: 1397600 -96.2493 120.332 -39.102 120.333 120.888 291.008 -39.1018 291.008 -92.1136 GPRESSURE: 1397600 -70.0767 165.462 -33.2399 91.0311 183.626 293.587 27.7975 158.228 -105.977 PRESSAVG: 1397600 3.00547 -12.0105 10.7397 -12.0105 -32.5259 -18.5493 10.7397 -18.5493 -3.21831 GPRESSAVG: 1397600 1.65571 -11.5263 10.8661 -13.7068 -31.3981 -18.3875 8.79481 -20.3255 -3.09849 TIMING: 1397600 CPU: 4417.9, 0.00318849/step Wall: 4417.9, 0.00318849/step, 3.19061 hours remaining, 233.257812 MB of memory in use. ENERGY: 1397600 4000.3499 20586.0420 14478.5319 255.2266 -203711.2450 2925.4251 0.0000 0.0000 51801.3939 -109664.2757 297.7033 -161465.6696 -109313.0953 298.4079 -22.4918 2.5240 762270.0105 -10.9129 -10.9470 PRESSURE: 1397800 -281.418 62.939 -436.356 62.9387 152.413 -356.813 -436.355 -356.813 -193.948 GPRESSURE: 1397800 -209.621 98.7244 -387.375 110.579 129.308 -352.479 -317.024 -230.909 -147.412 PRESSAVG: 1397800 -45.1478 -14.6547 -27.6882 -14.6547 12.3044 -0.459366 -27.6881 -0.459404 28.7385 GPRESSAVG: 1397800 -45.6055 -15.7774 -28.6365 -11.1294 12.1217 0.547168 -27.0937 -0.437004 29.3299 TIMING: 1397800 CPU: 4418.54, 0.00317311/step Wall: 4418.54, 0.00317311/step, 3.17505 hours remaining, 233.257812 MB of memory in use. ENERGY: 1397800 3963.3014 20607.4628 14554.6435 250.3750 -203689.6353 2761.8086 0.0000 0.0000 51978.2194 -109573.8246 298.7195 -161552.0440 -109218.1462 298.7663 -107.6510 -75.9085 763051.0125 -1.3683 -1.3846 PRESSURE: 1398000 -3.54318 308.201 -31.6852 308.202 370.353 37.6103 -31.6848 37.6101 62.82 GPRESSURE: 1398000 131.617 235.473 -21.6653 469.119 303.218 58.0045 -39.5655 33.1444 88.006 PRESSAVG: 1398000 14.1794 43.0285 -9.45434 43.0285 31.4935 47.5686 -9.4543 47.5687 -5.52335 GPRESSAVG: 1398000 15.5304 42.1251 -9.11422 42.8327 30.6065 47.1503 -9.67322 46.9105 -5.47896 TIMING: 1398000 CPU: 4419.17, 0.00315048/step Wall: 4419.17, 0.00315048/step, 3.15223 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: 1398000 3983.5223 20387.7945 14574.4480 250.5706 -203547.0330 2604.0992 0.0000 0.0000 52134.3479 -109612.2506 299.6168 -161746.5985 -109246.6166 298.6680 143.2099 174.2803 760249.3096 13.3832 13.5527 PRESSURE: 1398200 145.162 -174.481 148.735 -174.481 -291.416 -43.1124 148.736 -43.1137 118.676 GPRESSURE: 1398200 16.1183 -183.443 109.295 -5.62375 -72.6866 42.7196 -54.4815 38.3969 112.644 PRESSAVG: 1398200 3.92334 18.0837 -26.3597 18.0837 9.90071 -9.81827 -26.3598 -9.81835 -2.14069 GPRESSAVG: 1398200 2.45203 20.0364 -26.9372 16.5597 12.1602 -9.92816 -26.2999 -9.13468 -2.6682 TIMING: 1398200 CPU: 4419.8, 0.00317414/step Wall: 4419.8, 0.00317414/step, 3.17573 hours remaining, 233.257812 MB of memory in use. ENERGY: 1398200 4006.1662 20448.5474 14529.3052 274.0611 -203635.4439 2897.0311 0.0000 0.0000 51865.3216 -109615.0113 298.0707 -161480.3329 -109245.3185 298.5003 -9.1926 18.6918 760823.4902 3.8945 3.9813 PRESSURE: 1398400 -152.402 197.171 -13.9266 197.17 -183.025 265.285 -13.9258 265.284 -28.7138 GPRESSURE: 1398400 -186.834 222.764 -13.1689 135.122 -62.8006 294.181 14.0448 218.706 -18.219 PRESSAVG: 1398400 -47.7201 -9.43445 8.66022 -9.43446 11.9473 0.354353 8.66017 0.354305 7.51629 GPRESSAVG: 1398400 -47.5619 -10.727 9.17322 -9.70777 11.1583 -1.12146 7.8952 -0.809754 8.35282 TIMING: 1398400 CPU: 4420.44, 0.00319068/step Wall: 4420.44, 0.00319068/step, 3.1921 hours remaining, 233.257812 MB of memory in use. ENERGY: 1398400 4001.8642 20575.6050 14600.1550 257.7265 -203204.4252 2468.5806 0.0000 0.0000 51883.7604 -109416.7335 298.1767 -161300.4939 -109051.2859 298.6065 -121.3802 -89.2846 762495.3440 -9.4188 -9.3503 PRESSURE: 1398600 108.789 194.898 -100.819 194.898 262.063 -201.442 -100.819 -201.442 -274.539 GPRESSURE: 1398600 91.6254 137.117 -53.5601 87.4683 284.537 -221.536 -2.13702 -51.6047 -209.415 PRESSAVG: 1398600 -26.7374 -21.2334 7.79957 -21.2333 -2.34459 -15.6232 7.7996 -15.6231 6.16892 GPRESSAVG: 1398600 -25.7429 -20.6978 7.21611 -21.3776 -2.23443 -15.1187 9.22701 -12.5294 5.25524 TIMING: 1398600 CPU: 4421.07, 0.00317367/step Wall: 4421.07, 0.00317367/step, 3.17491 hours remaining, 233.257812 MB of memory in use. ENERGY: 1398600 4010.3689 20524.4169 14516.2678 241.5663 -203573.3957 2826.4268 0.0000 0.0000 52145.9964 -109308.3526 299.6838 -161454.3489 -108947.2471 299.2559 32.1041 55.5823 761983.8912 -7.6377 -7.5740 PRESSURE: 1398800 -124.995 113.225 -103.808 113.225 96.1478 -165.086 -103.809 -165.086 300.622 GPRESSURE: 1398800 -26.3205 124.863 -77.3132 91.9773 153.604 -165.035 -141.711 -122.257 231.039 PRESSAVG: 1398800 10.7385 -21.6965 -19.1906 -21.6964 37.9437 -16.4828 -19.1905 -16.4828 -20.8778 GPRESSAVG: 1398800 10.0093 -21.1 -19.1385 -23.5525 38.4242 -16.7923 -19.9315 -16.0342 -20.9282 TIMING: 1398800 CPU: 4421.71, 0.00316884/step Wall: 4421.71, 0.00316884/step, 3.16989 hours remaining, 233.257812 MB of memory in use. ENERGY: 1398800 3997.8341 20607.6316 14512.0170 249.8736 -203667.9131 2810.9087 0.0000 0.0000 52128.4390 -109361.2091 299.5829 -161489.6481 -108991.2403 299.2438 90.5917 119.4408 761490.0924 9.2681 9.1684 PRESSURE: 1399000 140.192 353.645 164.121 353.646 297.088 67.3487 164.12 67.348 263.838 GPRESSURE: 1399000 202.371 255.82 124.805 287.671 365.993 26.9743 184.119 87.7503 224.898 PRESSAVG: 1399000 -37.1629 -35.6756 26.4199 -35.6755 81.0559 11.1638 26.4199 11.1637 6.29787 GPRESSAVG: 1399000 -36.5714 -36.3165 26.0524 -35.1421 80.7627 13.6578 28.674 9.37239 5.55688 TIMING: 1399000 CPU: 4422.34, 0.00315623/step Wall: 4422.34, 0.00315623/step, 3.1571 hours remaining, 233.257812 MB of memory in use. ENERGY: 1399000 3967.5568 20397.1948 14514.1038 261.2805 -203407.0524 2734.5820 0.0000 0.0000 52222.7640 -109309.5705 300.1249 -161532.3344 -108941.0562 299.7392 233.7060 264.4207 761721.4493 16.7303 16.5828 PRESSURE: 1399200 -243.618 257.907 128.724 257.907 37.471 8.12727 128.724 8.12878 187.634 GPRESSURE: 1399200 -204.546 300.989 181.048 232.069 78.9517 -65.2207 137.792 75.9413 190.504 PRESSAVG: 1399200 -10.7005 8.02261 41.8034 8.0226 4.35397 12.5083 41.8034 12.5083 18.1938 GPRESSAVG: 1399200 -11.5596 8.75962 44.086 10.2851 3.72479 11.3871 38.1668 11.4587 19.3115 TIMING: 1399200 CPU: 4422.97, 0.0031757/step Wall: 4422.97, 0.0031757/step, 3.17641 hours remaining, 233.257812 MB of memory in use. ENERGY: 1399200 3958.1607 20787.1528 14474.9948 235.1080 -203196.1423 2337.3230 0.0000 0.0000 52068.2939 -109335.1090 299.2372 -161403.4029 -108969.4001 299.5998 -6.1710 21.6365 761005.5398 3.9491 3.8256 PRESSURE: 1399400 52.6124 -38.1359 -204.865 -38.1354 46.3352 -106.176 -204.863 -106.177 182.172 GPRESSURE: 1399400 131.431 -3.49757 -183.312 -41.2123 21.7406 -11.9284 -70.6249 -170.455 220.037 PRESSAVG: 1399400 -13.1794 14.1479 55.4753 14.1479 40.4284 -2.65499 55.4752 -2.65491 30.1846 GPRESSAVG: 1399400 -11.134 15.3404 54.2253 11.8466 39.5571 -2.67198 55.8535 -3.19376 29.2575 TIMING: 1399400 CPU: 4423.61, 0.00319865/step Wall: 4423.61, 0.00319865/step, 3.19919 hours remaining, 233.257812 MB of memory in use. ENERGY: 1399400 3977.9299 20432.4216 14462.4375 277.0503 -203168.6090 2730.9787 0.0000 0.0000 52005.5955 -109282.1954 298.8769 -161287.7909 -108909.6413 299.5162 93.7064 124.4031 760918.5501 19.1445 19.2269 PRESSURE: 1399600 -207.951 74.9433 -109.995 74.9436 -28.9925 292.639 -109.995 292.639 268.678 GPRESSURE: 1399600 -280.855 28.1185 -122.235 35.3385 115.502 220.311 -94.5821 227.239 304.958 PRESSAVG: 1399600 -3.01818 -4.1654 -1.5833 -4.16541 -37.4255 3.3183 -1.58333 3.31826 -10.0749 GPRESSAVG: 1399600 -3.2232 -6.64971 0.114764 -3.94277 -36.2843 3.6622 -1.30539 2.41805 -10.904 TIMING: 1399600 CPU: 4424.25, 0.00317729/step Wall: 4424.25, 0.00317729/step, 3.17764 hours remaining, 233.257812 MB of memory in use. ENERGY: 1399600 4066.2778 20663.6376 14451.2654 244.2573 -203572.3851 2846.0192 0.0000 0.0000 52216.8886 -109084.0392 300.0912 -161300.9278 -108735.6594 299.6172 10.5783 46.5352 761331.0511 -16.8395 -16.8038 PRESSURE: 1399800 127.227 -54.8343 -135.121 -54.8336 -110.228 73.2846 -135.121 73.2844 121.509 GPRESSURE: 1399800 173.548 -54.7645 -51.3345 -40.6901 -54.0783 59.0385 -183.402 -22.7643 101.645 PRESSAVG: 1399800 -19.5031 27.1991 45.5393 27.1991 -15.6006 29.931 45.5393 29.9309 11.7866 GPRESSAVG: 1399800 -20.4786 28.289 44.1842 26.9361 -16.0775 29.2576 46.0563 31.2569 12.7372 TIMING: 1399800 CPU: 4424.88, 0.00316463/step Wall: 4424.88, 0.00316463/step, 3.1648 hours remaining, 233.257812 MB of memory in use. ENERGY: 1399800 4058.4765 20590.4774 14559.5651 240.3128 -203588.6327 3026.6564 0.0000 0.0000 52189.5206 -108923.6239 299.9339 -161113.1445 -108562.5765 299.3975 46.1693 73.7047 762738.4347 -7.7723 -7.9396 PRESSURE: 1400000 -38.4646 71.8688 229.304 71.8688 -211.776 -69.7307 229.304 -69.7303 13.2558 GPRESSURE: 1400000 83.4186 98.9296 276.323 16.7498 -272.404 -23.1668 177.234 3.28141 44.0865 PRESSAVG: 1400000 57.7265 36.2976 -2.49652 36.2976 14.9222 -4.52982 -2.49653 -4.52978 -3.93615 GPRESSAVG: 1400000 57.9903 35.4925 -2.68433 37.9526 13.9361 -3.42533 -4.22069 -4.75556 -2.77432 TIMING: 1400000 CPU: 4425.52, 0.00318119/step Wall: 4425.52, 0.00318119/step, 3.18119 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: 1400000 3943.0475 20688.4016 14530.6046 225.3099 -203304.4253 2836.5654 0.0000 0.0000 52297.7372 -108782.7589 300.5558 -161080.4961 -108428.1522 300.2289 -78.9950 -48.2997 762923.8020 22.9042 23.0507 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.1.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: 1400200 -290.654 4.23382 206.385 4.23381 126.91 119.743 206.384 119.744 106.971 GPRESSURE: 1400200 -224.547 18.3478 183.458 84.5033 112.52 155.645 124.168 168.292 128.626 PRESSAVG: 1400200 18.1618 2.3289 17.5551 2.32892 -16.869 31.7854 17.555 31.7854 4.71162 GPRESSAVG: 1400200 18.7569 4.29383 18.1588 -0.172197 -15.8408 30.0721 18.5408 31.7974 2.8133 TIMING: 1400200 CPU: 4426.18, 0.00328087/step Wall: 4426.18, 0.00328087/step, 3.28068 hours remaining, 233.382812 MB of memory in use. ENERGY: 1400200 4053.9075 20671.0940 14580.3290 236.5622 -203326.0123 2967.5731 0.0000 0.0000 52239.7189 -108576.8275 300.2224 -160816.5465 -108223.1572 300.5701 -18.9244 5.5329 762938.6180 2.0015 1.9098 LDB: ============= START OF LOAD BALANCING ============== 4438.71 LDB: ============== END OF LOAD BALANCING =============== 4438.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4438.71 LDB: ============= START OF LOAD BALANCING ============== 4439.03 LDB: Largest compute 7060 load 0.032394 is 16.6% of average load 0.195377 LDB: Average compute 0.004372 is 2.2% of average load 0.195377 LDB: TIME 4439.03 LOAD: AVG 0.195377 MAX 0.217845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.52 MB LDB: TIME 4439.03 LOAD: AVG 0.195377 MAX 0.217845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.52 MB LDB: TIME 4439.03 LOAD: AVG 0.195377 MAX 0.217845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.52 MB LDB: ============== END OF LOAD BALANCING =============== 4439.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4439.04 PRESSURE: 1400400 216.602 99.0293 -192.605 99.029 401.583 120.028 -192.604 120.028 112.011 GPRESSURE: 1400400 169.909 112.269 -125.351 131.34 447.451 187.923 -229.127 -26.4856 190.213 PRESSAVG: 1400400 33.563 -35.5223 39.9664 -35.5222 -57.2188 -13.2906 39.9664 -13.2907 -17.9545 GPRESSAVG: 1400400 33.518 -39.2508 39.79 -33.3654 -57.0787 -11.9731 40.2007 -13.0392 -18.0274 TIMING: 1400400 CPU: 4426.83, 0.00324946/step Wall: 4426.83, 0.00324946/step, 3.2491 hours remaining, 232.878906 MB of memory in use. ENERGY: 1400400 3957.1024 20521.6054 14565.4685 231.8185 -203535.2380 3197.7029 0.0000 0.0000 52190.6052 -108870.9351 299.9401 -161061.5403 -108518.5221 300.1462 243.3986 269.1911 763707.5341 -13.8701 -13.8627 PRESSURE: 1400600 -301.196 99.1363 68.7157 99.1367 24.3707 -189.195 68.7166 -189.195 125.08 GPRESSURE: 1400600 -224.339 228.086 61.1188 48.5591 84.7147 -207.344 40.3736 -130.122 69.7148 PRESSAVG: 1400600 20.2251 71.678 25.0298 71.6781 -16.0953 0.814925 25.0298 0.814876 1.29277 GPRESSAVG: 1400600 17.8536 75.6639 24.6376 70.2532 -15.4175 1.1019 26.0516 0.303044 2.81227 TIMING: 1400600 CPU: 4427.46, 0.00318487/step Wall: 4427.46, 0.00318487/step, 3.18434 hours remaining, 232.878906 MB of memory in use. ENERGY: 1400600 3919.8616 20460.9226 14609.7172 233.5512 -203091.8250 2660.5297 0.0000 0.0000 52016.3688 -109190.8741 298.9388 -161207.2429 -108826.5699 299.4752 -50.5820 -23.3033 763742.5496 1.8075 1.7495 PRESSURE: 1400800 -138.192 30.2271 135.547 30.2273 -382.881 136.953 135.547 136.953 -251.184 GPRESSURE: 1400800 -67.8325 37.3631 156.451 -48.6634 -329.568 55.7311 180.374 43.5628 -291.202 PRESSAVG: 1400800 2.67703 -8.41736 10.095 -8.4174 2.9024 -23.0954 10.095 -23.0954 -15.312 GPRESSAVG: 1400800 4.95365 -9.19011 11.2002 -7.30482 1.74584 -24.2126 9.74327 -23.2394 -15.849 TIMING: 1400800 CPU: 4428.1, 0.00318509/step Wall: 4428.1, 0.00318509/step, 3.18438 hours remaining, 232.878906 MB of memory in use. ENERGY: 1400800 3971.8955 20570.1329 14534.3556 234.8842 -203020.9384 2504.2400 0.0000 0.0000 52172.2783 -109033.1520 299.8348 -161205.4302 -108668.1985 299.1204 -257.4192 -229.5341 763042.9488 -3.2442 -3.0498 PRESSURE: 1401000 46.1176 91.5989 78.3157 91.5989 -152.896 255.188 78.3157 255.189 -158.778 GPRESSURE: 1401000 40.7782 -3.4588 102.819 67.8305 -154.655 292.471 4.97064 274.393 -75.4641 PRESSAVG: 1401000 12.9034 -6.53495 78.5808 -6.53497 -2.11557 -11.6905 78.5808 -11.6905 7.15408 GPRESSAVG: 1401000 12.1328 -7.62216 77.4284 -7.06077 -1.55968 -10.3736 77.6806 -12.1272 7.03451 TIMING: 1401000 CPU: 4428.73, 0.0031771/step Wall: 4428.73, 0.0031771/step, 3.17622 hours remaining, 232.878906 MB of memory in use. ENERGY: 1401000 3929.7998 20728.0846 14504.0018 249.0120 -203360.7608 2685.7977 0.0000 0.0000 52176.2027 -109087.8623 299.8574 -161264.0650 -108734.1437 299.7756 -88.5189 -63.1135 762159.2217 5.9806 5.8692 PRESSURE: 1401200 117.983 45.1018 -23.4207 45.1012 -445.519 41.5556 -23.42 41.5558 115.451 GPRESSURE: 1401200 132.948 131.766 51.8851 40.8384 -316.003 56.8704 70.3911 77.8953 60.0131 PRESSAVG: 1401200 52.8485 -15.8508 -33.1349 -15.8508 -17.705 35.5826 -33.1348 35.5825 14.072 GPRESSAVG: 1401200 52.3465 -15.6972 -34.222 -14.7468 -17.298 32.8964 -31.5577 36.5625 14.3439 TIMING: 1401200 CPU: 4429.37, 0.00318019/step Wall: 4429.37, 0.00318019/step, 3.17913 hours remaining, 232.878906 MB of memory in use. ENERGY: 1401200 4080.4469 20597.8188 14517.6430 242.1785 -203105.2107 2718.0737 0.0000 0.0000 51898.0575 -109050.9923 298.2588 -160949.0497 -108691.6564 299.6922 -70.6952 -41.0141 763338.1749 16.4051 16.4641 PRESSURE: 1401400 -326.787 -57.0402 259.804 -57.0407 -430.37 113.854 259.805 113.853 20.4967 GPRESSURE: 1401400 -342.65 26.8476 234.488 -80.6486 -406.809 92.8014 101.142 56.1865 109.072 PRESSAVG: 1401400 7.01384 51.4514 -13.893 51.4513 -22.9432 -27.0989 -13.893 -27.0989 16.69 GPRESSAVG: 1401400 7.03918 51.039 -13.4286 51.7762 -22.8185 -27.3426 -14.4362 -26.0413 16.6997 TIMING: 1401400 CPU: 4430.01, 0.00319398/step Wall: 4430.01, 0.00319398/step, 3.19274 hours remaining, 232.878906 MB of memory in use. ENERGY: 1401400 3946.6159 20617.7866 14528.4805 243.9122 -202852.7794 2574.4586 0.0000 0.0000 52313.2493 -108628.2762 300.6450 -160941.5255 -108262.6685 300.3436 -245.5533 -213.4625 764132.8280 0.2536 0.3068 PRESSURE: 1401600 520.533 50.3571 54.7717 50.3578 191.693 -8.00364 54.7708 -8.00363 221.72 GPRESSURE: 1401600 587.569 124.091 -49.5273 23.5089 187.976 -56.7366 17.8277 -64.799 248.327 PRESSAVG: 1401600 63.0574 -12.4183 44.5656 -12.4183 -39.8128 -25.2534 44.5656 -25.2534 2.64195 GPRESSAVG: 1401600 63.1818 -9.50591 45.9912 -11.5933 -40.471 -22.2146 43.9181 -26.7451 3.13797 TIMING: 1401600 CPU: 4430.65, 0.00320558/step Wall: 4430.65, 0.00320558/step, 3.20415 hours remaining, 232.878906 MB of memory in use. ENERGY: 1401600 3920.9376 20660.0154 14526.6256 242.1532 -203152.2411 2925.0128 0.0000 0.0000 52118.4102 -108759.0863 299.5252 -160877.4965 -108400.1028 299.9654 311.3155 341.2906 762535.9309 8.6289 8.6162 PRESSURE: 1401800 -100.193 97.0259 48.9143 97.0259 209.129 23.7292 48.915 23.7307 170.413 GPRESSURE: 1401800 3.33737 110.344 108.711 21.7389 123.42 -30.1644 157.781 -1.73822 234.118 PRESSAVG: 1401800 11.1859 -0.627928 -27.4849 -0.627894 -47.7694 8.4958 -27.485 8.49585 0.843204 GPRESSAVG: 1401800 12.4744 -1.84931 -26.7082 -1.68787 -48.7069 7.90042 -27.5119 9.62307 0.51395 TIMING: 1401800 CPU: 4431.29, 0.00318527/step Wall: 4431.29, 0.00318527/step, 3.18367 hours remaining, 232.878906 MB of memory in use. ENERGY: 1401800 4067.8754 20493.1026 14563.2242 243.2225 -203586.5832 2825.1324 0.0000 0.0000 52633.1701 -108760.8561 302.4836 -161394.0262 -108399.4089 300.1814 93.1164 120.2919 761184.8472 -11.9134 -11.9062 PRESSURE: 1402000 -368.836 -83.235 136.238 -83.2362 123.903 120.16 136.238 120.159 -109.289 GPRESSURE: 1402000 -337.376 -66.142 227.579 -146.118 137 47.8006 58.6844 291.297 -59.7203 PRESSAVG: 1402000 -5.94428 37.362 -24.9343 37.3621 -27.5049 -29.382 -24.9343 -29.382 -0.383768 GPRESSAVG: 1402000 -6.11589 35.8536 -23.9753 37.1134 -27.5435 -29.4848 -24.9066 -29.4878 -0.0681468 TIMING: 1402000 CPU: 4431.92, 0.00317489/step Wall: 4431.92, 0.00317489/step, 3.17312 hours remaining, 232.878906 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: 1402000 3952.3190 20514.1978 14481.8874 267.6961 -203536.6047 2817.0741 0.0000 0.0000 52555.7636 -108947.6666 302.0387 -161503.4302 -108586.7326 300.6874 -118.0742 -86.6989 762008.3648 -11.2776 -11.2425 PRESSURE: 1402200 233.088 109.115 -286.698 109.115 19.069 -200.506 -286.697 -200.507 -79.1292 GPRESSURE: 1402200 322.348 129.489 -303.532 66.6535 51.5335 -196.903 -295.142 -58.4459 -109.446 PRESSAVG: 1402200 13.9937 65.8236 17.114 65.8235 -14.2809 4.47429 17.114 4.47427 -12.6961 GPRESSAVG: 1402200 13.3651 66.4391 13.7724 64.4111 -12.7603 5.00075 19.7485 4.36152 -13.0881 TIMING: 1402200 CPU: 4432.56, 0.00317601/step Wall: 4432.56, 0.00317601/step, 3.17407 hours remaining, 232.878906 MB of memory in use. ENERGY: 1402200 4011.2760 20568.6660 14488.4876 248.5904 -203246.0888 2594.2843 0.0000 0.0000 52313.5385 -109021.2460 300.6466 -161334.7845 -108658.4282 300.2051 57.6758 88.1453 761749.4111 -4.3278 -4.1611 PRESSURE: 1402400 -292.147 -72.568 -60.5762 -72.5672 -165.527 -186.013 -60.576 -186.013 140.586 GPRESSURE: 1402400 -221.863 -141.232 -56.3471 -6.15814 -132.133 -169.573 -140.491 -27.8979 117.07 PRESSAVG: 1402400 -5.25714 65.8526 30.5286 65.8526 -50.2459 34.7637 30.5285 34.7637 -0.15726 GPRESSAVG: 1402400 -5.26861 63.8053 33.6318 67.4288 -49.9216 34.287 27.2481 33.7257 -0.204116 TIMING: 1402400 CPU: 4433.19, 0.0031819/step Wall: 4433.19, 0.0031819/step, 3.17977 hours remaining, 232.878906 MB of memory in use. ENERGY: 1402400 4005.9202 20431.7404 14530.9026 256.2049 -203366.4116 2659.2703 0.0000 0.0000 52418.2391 -109064.1341 301.2483 -161482.3731 -108695.5302 299.8216 -105.6961 -78.9757 761111.0961 -18.5534 -18.4648 PRESSURE: 1402600 -301.243 56.3622 -181.1 56.3625 -139.853 -173.389 -181.101 -173.389 -80.8998 GPRESSURE: 1402600 -194.498 -5.63851 -146.491 122.39 -237.913 -167.835 -36.041 -261.14 -6.80912 PRESSAVG: 1402600 -56.748 22.6783 35.2717 22.6784 42.2091 28.1144 35.2717 28.1144 -12.6701 GPRESSAVG: 1402600 -56.2118 23.484 33.6526 23.5852 41.3314 28.0752 35.2622 29.3743 -12.2078 TIMING: 1402600 CPU: 4433.83, 0.00317741/step Wall: 4433.83, 0.00317741/step, 3.17511 hours remaining, 232.878906 MB of memory in use. ENERGY: 1402600 4076.7808 20599.1378 14524.2433 264.1860 -203280.6546 2682.4648 0.0000 0.0000 52009.9465 -109123.8954 298.9019 -161133.8420 -108758.7271 299.8761 -173.9985 -146.4069 761871.0230 -9.0697 -9.0294 PRESSURE: 1402800 -297.692 68.1831 -3.00168 68.1825 -358.839 71.5003 -3.00138 71.5003 -243.58 GPRESSURE: 1402800 -239.062 -10.4935 -33.4552 110.545 -311.998 -26.2282 31.6786 -11.509 -265.679 PRESSAVG: 1402800 -23.6231 -11.765 -21.864 -11.765 2.5661 32.2261 -21.864 32.2261 25.3609 GPRESSAVG: 1402800 -20.9543 -11.4781 -20.5751 -12.6023 1.22731 30.7541 -20.6666 30.4601 24.1434 TIMING: 1402800 CPU: 4434.46, 0.00316691/step Wall: 4434.46, 0.00316691/step, 3.16445 hours remaining, 232.878906 MB of memory in use. ENERGY: 1402800 3972.9193 20668.2083 14527.2735 246.9570 -203049.4621 2429.8335 0.0000 0.0000 51924.9381 -109279.3323 298.4133 -161204.2705 -108928.6811 299.1270 -300.0371 -272.2464 762983.4405 1.4346 1.4721 PRESSURE: 1403000 204.47 132.672 144.97 132.671 172.466 72.8214 144.97 72.8225 254.357 GPRESSURE: 1403000 274.066 148.164 86.9798 182.129 181.556 60.3584 116.732 238.975 254.201 PRESSAVG: 1403000 -2.44571 5.33017 33.146 5.33014 1.39183 -27.6721 33.146 -27.6721 -8.94536 GPRESSAVG: 1403000 -4.45895 2.34328 32.4392 8.90509 3.00947 -25.6698 32.7815 -24.4573 -8.60304 TIMING: 1403000 CPU: 4435.1, 0.00318133/step Wall: 4435.1, 0.00318133/step, 3.17868 hours remaining, 232.878906 MB of memory in use. ENERGY: 1403000 3919.9833 20597.5769 14589.5060 242.5725 -203269.2588 2891.4016 0.0000 0.0000 51929.1564 -109099.0621 298.4376 -161028.2185 -108736.2007 299.0889 210.4312 236.6076 762507.8445 -3.3331 -3.3508 PRESSURE: 1403200 42.4658 55.2344 -39.4953 55.2334 216.738 -124.957 -39.4955 -124.957 43.1762 GPRESSURE: 1403200 60.7956 15.6551 5.49877 74.8691 232.62 -47.07 20.1676 -104.827 80.6535 PRESSAVG: 1403200 3.81537 34.7003 12.2254 34.7004 -2.47648 19.1887 12.2254 19.1887 5.35361 GPRESSAVG: 1403200 3.71131 39.3119 13.7252 29.8802 -3.61948 20 10.4518 16.2345 6.7397 TIMING: 1403200 CPU: 4435.74, 0.00319433/step Wall: 4435.74, 0.00319433/step, 3.19149 hours remaining, 232.878906 MB of memory in use. ENERGY: 1403200 3986.0440 20563.0870 14563.9237 248.9199 -203158.6618 2761.4164 0.0000 0.0000 52036.6462 -108998.6246 299.0553 -161035.2707 -108631.5605 299.8768 100.7933 124.6898 763804.5118 2.2308 2.2772 PRESSURE: 1403400 117.828 170.937 -28.2272 170.937 -150.914 -48.1524 -28.2272 -48.1513 -40.1633 GPRESSURE: 1403400 176.877 113.76 39.5551 100.559 -123.196 -42.5608 -22.3882 -192.671 -41.2376 PRESSAVG: 1403400 -45.8896 46.6246 0.926448 46.6246 64.3663 -25.9344 0.926493 -25.9343 24.8334 GPRESSAVG: 1403400 -46.3629 44.9046 0.0666845 48.177 64.8264 -26.4738 2.99167 -25.5053 24.8205 TIMING: 1403400 CPU: 4436.38, 0.00318772/step Wall: 4436.38, 0.00318772/step, 3.1847 hours remaining, 232.878906 MB of memory in use. ENERGY: 1403400 3992.0642 20533.6681 14584.8792 236.3869 -203336.2106 2679.2472 0.0000 0.0000 52349.7679 -108960.1971 300.8548 -161309.9650 -108591.4431 299.9257 -24.4161 4.1476 762816.9315 14.4367 14.4280 PRESSURE: 1403600 94.3113 -106.928 148.074 -106.927 -20.0299 145.527 148.075 145.528 -89.7252 GPRESSURE: 1403600 131.218 -101.032 195.711 -84.5052 -21.4027 136.926 147.924 159.411 -43.4359 PRESSAVG: 1403600 -21.9771 9.12185 35.0774 9.12179 44.2212 -42.6926 35.0774 -42.6926 -6.44923 GPRESSAVG: 1403600 -21.0666 6.51167 34.0039 11.1781 43.5504 -44.0814 34.7926 -41.3786 -6.84955 TIMING: 1403600 CPU: 4437.01, 0.00316585/step Wall: 4437.01, 0.00316585/step, 3.16268 hours remaining, 232.878906 MB of memory in use. ENERGY: 1403600 3936.5098 20650.7029 14497.7924 238.9874 -202841.8214 2608.6762 0.0000 0.0000 51760.8522 -109148.3005 297.4703 -160909.1528 -108793.8937 299.5954 -5.1480 22.1264 762549.2829 5.2650 5.2114 PRESSURE: 1403800 -69.0321 252.162 -198.095 252.163 181.19 102.389 -198.095 102.388 127.691 GPRESSURE: 1403800 -31.012 222.839 -124.838 246.432 194.038 50.7075 -112.172 136.574 147.783 PRESSAVG: 1403800 -50.1918 -51.441 48.0003 -51.441 53.7376 19.9138 48.0003 19.9138 3.1353 GPRESSAVG: 1403800 -51.6548 -49.3495 49.1931 -52.407 54.3772 19.791 46.0761 19.795 3.5668 TIMING: 1403800 CPU: 4437.64, 0.00316596/step Wall: 4437.64, 0.00316596/step, 3.16261 hours remaining, 232.878906 MB of memory in use. ENERGY: 1403800 3956.3441 20469.9397 14576.8222 254.4156 -203062.8660 2624.3697 0.0000 0.0000 52166.4538 -109014.5209 299.8013 -161180.9747 -108652.8151 299.0725 79.9497 103.6030 761920.4252 2.2270 2.0964 PRESSURE: 1404000 16.9027 72.3952 115.333 72.3955 80.4701 11.7289 115.333 11.7296 -304.559 GPRESSURE: 1404000 57.3672 58.6964 46.2123 -25.5706 179.482 -40.574 97.2327 -149.75 -372.101 PRESSAVG: 1404000 63.4339 -21.3229 -28.5976 -21.3229 -55.7616 2.992 -28.5976 2.99207 24.3128 GPRESSAVG: 1404000 63.4978 -21.8759 -27.8364 -22.3882 -54.5845 4.20511 -29.2376 0.936544 23.3061 TIMING: 1404000 CPU: 4438.28, 0.00317164/step Wall: 4438.28, 0.00317164/step, 3.16812 hours remaining, 232.878906 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: 1404000 4047.8202 20354.7883 14511.2744 252.6341 -202860.7384 2556.3723 0.0000 0.0000 52070.5388 -109067.3104 299.2501 -161137.8492 -108716.7030 299.1856 -69.0620 -45.0837 762301.4393 10.6617 10.7398 PRESSURE: 1404200 273.068 -41.0187 -125.217 -41.0183 324.201 63.2301 -125.219 63.2293 -16.0614 GPRESSURE: 1404200 306.645 -89.2777 -179.702 -74.1007 368.304 79.3265 41.121 127.166 -20.1539 PRESSAVG: 1404200 -4.07725 -3.34859 19.5765 -3.34864 10.8543 43.6654 19.5766 43.6654 19.0809 GPRESSAVG: 1404200 -3.58246 -2.88229 18.2139 -2.66968 10.6157 44.4232 22.0041 46.1672 18.6033 TIMING: 1404200 CPU: 4438.91, 0.00318393/step Wall: 4438.91, 0.00318393/step, 3.18021 hours remaining, 232.878906 MB of memory in use. ENERGY: 1404200 3939.1554 20462.7764 14540.8282 247.4264 -203070.5070 2464.5439 0.0000 0.0000 52260.8359 -109154.9409 300.3437 -161415.7767 -108770.9327 299.6685 193.7360 218.2651 760610.6618 8.6193 8.5455 LDB: ============= START OF LOAD BALANCING ============== 4451.45 LDB: ============== END OF LOAD BALANCING =============== 4451.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4451.45 LDB: ============= START OF LOAD BALANCING ============== 4451.77 LDB: Largest compute 7042 load 0.030669 is 15.7% of average load 0.195485 LDB: Average compute 0.004365 is 2.2% of average load 0.195485 LDB: TIME 4451.77 LOAD: AVG 0.195485 MAX 0.218469 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.16 MB LDB: TIME 4451.77 LOAD: AVG 0.195485 MAX 0.218469 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 4451.77 LOAD: AVG 0.195485 MAX 0.218066 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 4451.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4451.78 PRESSURE: 1404400 -25.9288 -44.0464 -236.64 -44.0466 161.972 169.637 -236.64 169.637 39.8309 GPRESSURE: 1404400 -107.952 -91.6303 -266.82 -157.647 230.544 119.051 -165.723 143.038 134.654 PRESSAVG: 1404400 34.8122 7.13754 -20.6599 7.13763 -38.9293 43.9945 -20.6598 43.9945 37.2506 GPRESSAVG: 1404400 33.5817 9.15572 -20.2347 4.36715 -38.8979 42.0113 -20.9848 44.0971 37.959 TIMING: 1404400 CPU: 4439.56, 0.00324738/step Wall: 4439.56, 0.00324738/step, 3.24341 hours remaining, 233.390625 MB of memory in use. ENERGY: 1404400 3928.7122 20306.3414 14622.4321 229.0178 -203252.0735 2847.7209 0.0000 0.0000 51928.1342 -109389.7148 298.4317 -161317.8491 -109011.1622 299.2026 58.6248 85.7483 760700.1051 11.0445 10.8809 PRESSURE: 1404600 -47.1885 83.749 112.414 83.7492 112.261 -173.714 112.415 -173.714 96.2139 GPRESSURE: 1404600 33.1016 12.8608 103.829 179.329 146.945 -225.5 101.082 -112.103 66.9533 PRESSAVG: 1404600 -28.5308 17.6049 37.0136 17.6049 9.98029 5.84377 37.0137 5.84377 -0.105495 GPRESSAVG: 1404600 -28.0799 16.0776 38.1431 20.1838 8.9362 8.46664 35.0619 5.02578 -0.482053 TIMING: 1404600 CPU: 4440.2, 0.00318363/step Wall: 4440.2, 0.00318363/step, 3.17956 hours remaining, 233.593750 MB of memory in use. ENERGY: 1404600 3907.9841 20592.3624 14559.9089 246.4689 -203317.3218 2775.8284 0.0000 0.0000 51836.8991 -109397.8701 297.9074 -161234.7692 -109042.1450 299.0251 53.7622 82.3334 763201.8877 -6.2187 -6.5419 PRESSURE: 1404800 78.1116 185.992 36.0995 185.991 118.028 74.1516 36.099 74.1527 96.409 GPRESSURE: 1404800 150.548 58.1579 -40.3213 45.6736 94.7021 135.238 58.9991 -23.773 128.19 PRESSAVG: 1404800 32.9884 -17.7248 13.2124 -17.7248 10.6871 -31.9571 13.2124 -31.9571 -3.71787 GPRESSAVG: 1404800 33.7377 -18.2854 11.8763 -16.9495 9.79161 -31.5274 15.9313 -31.8931 -3.27368 TIMING: 1404800 CPU: 4440.83, 0.00317041/step Wall: 4440.83, 0.00317041/step, 3.16618 hours remaining, 233.796875 MB of memory in use. ENERGY: 1404800 3875.0934 20406.5961 14540.6469 262.7041 -203489.9524 2926.1490 0.0000 0.0000 52105.7284 -109373.0345 299.4523 -161478.7630 -109012.4463 299.2379 97.5161 124.4802 762378.9047 13.3192 13.4185 PRESSURE: 1405000 134.137 -43.75 -208.242 -43.749 -153.481 -109.175 -208.241 -109.174 -191.32 GPRESSURE: 1405000 151.003 10.7478 -250.988 66.8529 -38.7004 -171.317 -243.441 -68.9305 -226.494 PRESSAVG: 1405000 20.0916 51.1082 -10.4069 51.1082 -31.3772 -71.6131 -10.4069 -71.6131 -6.18967 GPRESSAVG: 1405000 20.3844 51.8185 -10.7265 49.9079 -30.1882 -74.662 -10.2169 -69.5353 -7.18796 TIMING: 1405000 CPU: 4441.47, 0.00316576/step Wall: 4441.47, 0.00316576/step, 3.16136 hours remaining, 233.796875 MB of memory in use. ENERGY: 1405000 3984.9583 20474.7490 14576.7723 258.5260 -203327.8342 2762.7644 0.0000 0.0000 51933.5843 -109336.4800 298.4630 -161270.0642 -108978.3001 299.1118 -70.2214 -38.0641 762335.6323 -5.8251 -5.6639 PRESSURE: 1405200 129.837 299.255 186.821 299.255 505.177 -248.304 186.82 -248.303 73.4753 GPRESSURE: 1405200 229.866 301.885 190.492 251.672 445.329 -303.552 107.789 -181.65 108.019 PRESSAVG: 1405200 37.9133 35.8315 -1.07451 35.8315 -15.1864 -2.61721 -1.0745 -2.61714 -10.381 GPRESSAVG: 1405200 37.345 35.6828 -0.0464955 35.7271 -14.0293 -1.88394 -0.666252 -3.27347 -11.3951 TIMING: 1405200 CPU: 4442.1, 0.00318491/step Wall: 4442.1, 0.00318491/step, 3.18031 hours remaining, 233.796875 MB of memory in use. ENERGY: 1405200 3885.2780 20507.2522 14517.3883 261.6973 -203471.0459 2842.2234 0.0000 0.0000 51935.7803 -109521.4262 298.4756 -161457.2066 -109156.4035 298.3256 236.1631 261.0713 760769.1733 4.1153 3.9735 PRESSURE: 1405400 1.69431 -21.294 -14.3631 -21.2945 312.792 152.545 -14.3628 152.545 160.198 GPRESSURE: 1405400 56.5414 7.92737 17.5054 -68.551 262.531 162.916 -24.0157 2.17881 246.701 PRESSAVG: 1405400 22.4901 4.41552 -31.4315 4.4155 16.1541 78.0444 -31.4315 78.0445 -23.3717 GPRESSAVG: 1405400 22.8249 3.35984 -33.0747 4.36099 14.6559 79.4331 -31.0017 76.3138 -22.4633 TIMING: 1405400 CPU: 4442.74, 0.00318914/step Wall: 4442.74, 0.00318914/step, 3.18435 hours remaining, 233.796875 MB of memory in use. ENERGY: 1405400 3902.5827 20578.4828 14694.2974 254.4673 -203646.9453 2848.7859 0.0000 0.0000 51881.8957 -109486.4335 298.1660 -161368.3292 -109128.3674 298.4293 158.2281 188.5912 760627.5740 5.0908 5.0058 PRESSURE: 1405600 7.0192 101.6 333.551 101.6 -205.628 -187.155 333.551 -187.155 142.869 GPRESSURE: 1405600 -27.6947 53.5621 346.419 49.9362 -141.288 -169.272 185.914 -107.999 182.922 PRESSAVG: 1405600 47.6417 7.13411 -2.08835 7.13411 -6.9453 -6.94233 -2.08841 -6.94233 3.37679 GPRESSAVG: 1405600 47.1258 9.48771 -0.730859 7.6345 -6.61195 -6.91707 -2.57628 -6.43538 4.0453 TIMING: 1405600 CPU: 4443.38, 0.00318605/step Wall: 4443.38, 0.00318605/step, 3.18109 hours remaining, 233.796875 MB of memory in use. ENERGY: 1405600 3931.0269 20597.3302 14622.7046 266.5037 -203450.6933 2786.3571 0.0000 0.0000 51797.6660 -109449.1049 297.6819 -161246.7708 -109084.1256 298.6499 -18.5800 4.6464 764317.7033 14.6911 14.8531 PRESSURE: 1405800 -170.826 -102.579 -16.8367 -102.579 -226.988 72.379 -16.8369 72.3788 -13.3801 GPRESSURE: 1405800 -209.511 -32.2224 34.6931 -147.257 -65.5739 47.7779 -121.404 90.254 -43.702 PRESSAVG: 1405800 -5.01828 47.3155 11.8478 47.3155 25.8625 1.97071 11.8479 1.97068 14.0389 GPRESSAVG: 1405800 -4.6898 45.6917 10.9246 46.9666 25.895 1.82167 11.776 1.1159 13.1721 TIMING: 1405800 CPU: 4444.02, 0.00319074/step Wall: 4444.02, 0.00319074/step, 3.1856 hours remaining, 233.796875 MB of memory in use. ENERGY: 1405800 3947.4746 20562.3342 14574.9855 247.4472 -203856.3151 2908.1550 0.0000 0.0000 52061.9994 -109553.9191 299.2010 -161615.9185 -109190.3139 298.6646 -137.0648 -106.2625 762126.1104 11.6277 11.4591 PRESSURE: 1406000 411.043 46.7498 93.9558 46.7505 245.616 145.961 93.9547 145.96 -364.452 GPRESSURE: 1406000 516.888 32.7138 117.84 22.7161 227.007 120.735 125.094 182.207 -355.927 PRESSAVG: 1406000 8.38765 -7.91495 3.13228 -7.91489 -69.8573 93.2486 3.13229 93.2486 -6.16135 GPRESSAVG: 1406000 8.23935 -9.66736 4.58245 -7.28482 -69.6893 91.3386 3.79432 95.603 -6.30612 TIMING: 1406000 CPU: 4444.65, 0.00318185/step Wall: 4444.65, 0.00318185/step, 3.17654 hours remaining, 233.796875 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 4027.7869 20461.3702 14565.5300 245.9177 -203860.4661 3120.1596 0.0000 0.0000 51783.0358 -109656.6660 297.5978 -161439.7017 -109303.8357 297.9525 97.4024 129.3224 762350.8284 -22.5437 -22.5854 PRESSURE: 1406200 368.399 -59.8414 -22.9451 -59.8408 -162.903 -80.0676 -22.9452 -80.0683 -136.934 GPRESSURE: 1406200 426.715 -50.351 -30.9171 -82.5181 -175.411 20.6044 -136.083 -120.303 -99.1447 PRESSAVG: 1406200 46.6917 8.02162 29.4282 8.02157 -1.19036 42.7319 29.4282 42.732 -3.843 GPRESSAVG: 1406200 46.9087 9.33052 29.292 8.61151 -2.46077 44.8056 31.1441 39.8506 -2.67604 TIMING: 1406200 CPU: 4445.3, 0.00321451/step Wall: 4445.3, 0.00321451/step, 3.20898 hours remaining, 233.796875 MB of memory in use. ENERGY: 1406200 3989.8943 20515.4740 14462.9400 225.6105 -203930.0684 2990.8610 0.0000 0.0000 51882.9704 -109862.3182 298.1721 -161745.2886 -109491.5745 298.0000 22.8540 50.7200 762978.8934 13.8861 13.9240 PRESSURE: 1406400 190.772 159.733 183.375 159.734 42.0824 319.18 183.375 319.179 -93.7889 GPRESSURE: 1406400 175.718 151.964 139.546 85.1162 134.952 429.737 96.6682 219.966 -98.2958 PRESSAVG: 1406400 65.8438 5.75377 32.0244 5.75375 -54.6185 23.9902 32.0245 23.9902 -9.35664 GPRESSAVG: 1406400 66.4565 5.7983 32.5514 4.4574 -53.6191 24.3773 27.3916 22.6462 -10.9509 TIMING: 1406400 CPU: 4445.93, 0.0031833/step Wall: 4445.93, 0.0031833/step, 3.17764 hours remaining, 233.796875 MB of memory in use. ENERGY: 1406400 4049.4681 20511.7660 14533.5751 230.1037 -203645.5413 2861.6589 0.0000 0.0000 51829.5570 -109629.4125 297.8652 -161458.9695 -109274.0627 298.2056 46.3551 70.7916 762848.1941 0.6229 0.6288 PRESSURE: 1406600 -159.454 -172.712 -131.583 -172.711 -337.226 69.8758 -131.584 69.8757 -185.359 GPRESSURE: 1406600 -136.74 -244.169 -121.702 -159.743 -222.799 92.666 -145.384 12.9528 -238.314 PRESSAVG: 1406600 7.34576 -19.4052 -44.9894 -19.4052 -23.1858 22.3758 -44.9895 22.3758 -1.23293 GPRESSAVG: 1406600 6.69807 -19.5911 -46.1267 -18.7222 -22.966 22.2865 -40.721 25.1364 -0.668632 TIMING: 1406600 CPU: 4446.57, 0.00317953/step Wall: 4446.57, 0.00317953/step, 3.1737 hours remaining, 233.796875 MB of memory in use. ENERGY: 1406600 3969.2644 20602.6211 14518.0399 250.0441 -203155.8837 2405.2695 0.0000 0.0000 51990.3652 -109420.2795 298.7893 -161410.6446 -109048.2731 298.7037 -227.3464 -199.2845 764310.2191 -5.6910 -5.6455 PRESSURE: 1406800 -366.612 192.499 141.618 192.5 -93.837 -45.3817 141.618 -45.3808 -255.034 GPRESSURE: 1406800 -417.657 136.72 182.179 112.749 -16.1686 -30.6877 -1.01292 30.0914 -215.651 PRESSAVG: 1406800 76.0758 10.5898 -42.012 10.5898 -67.6934 36.2924 -42.0121 36.2924 -8.76779 GPRESSAVG: 1406800 76.0777 8.90758 -43.7555 11.8534 -68.7245 36.29 -44.7861 34.7108 -7.83159 TIMING: 1406800 CPU: 4447.2, 0.00316531/step Wall: 4447.2, 0.00316531/step, 3.15934 hours remaining, 233.796875 MB of memory in use. ENERGY: 1406800 3967.2876 20487.1937 14499.4409 224.1186 -203203.7941 2630.4783 0.0000 0.0000 51935.9102 -109459.3648 298.4764 -161395.2750 -109082.6111 298.6770 -238.4944 -216.4923 764193.0389 -0.1285 -0.1594 PRESSURE: 1407000 112.908 -101.413 422.885 -101.412 246.413 -148.068 422.884 -148.068 -113.119 GPRESSURE: 1407000 122.806 -55.1657 392.456 -143.326 253.85 -148.831 359.45 -100.796 -33.1472 PRESSAVG: 1407000 13.2396 21.0257 12.4711 21.0257 6.47492 13.5931 12.471 13.593 6.20818 GPRESSAVG: 1407000 13.745 22.1924 16.1047 20.7404 7.10189 13.0217 11.5661 15.6009 4.98309 TIMING: 1407000 CPU: 4447.83, 0.00315453/step Wall: 4447.83, 0.00315453/step, 3.14839 hours remaining, 233.796875 MB of memory in use. ENERGY: 1407000 4026.5649 20598.9778 14517.5324 249.9538 -203238.9169 2623.6606 0.0000 0.0000 51898.0420 -109324.1854 298.2588 -161222.2274 -108960.7646 298.9471 82.0673 114.5027 764519.9378 8.6409 8.6100 PRESSURE: 1407200 203.974 -67.5901 -19.8214 -67.5891 -466.497 38.2274 -19.8217 38.2268 -66.179 GPRESSURE: 1407200 178.657 0.398354 -82.2374 -80.6613 -466.473 108.855 50.4468 81.322 25.1821 PRESSAVG: 1407200 -6.26349 -15.2861 35.3727 -15.2861 25.3471 -4.28377 35.3728 -4.2838 -8.29203 GPRESSAVG: 1407200 -5.09955 -15.4663 34.5106 -15.3357 23.2045 -3.9687 36.9481 -5.8707 -7.79203 TIMING: 1407200 CPU: 4448.47, 0.0031676/step Wall: 4448.47, 0.0031676/step, 3.16127 hours remaining, 233.796875 MB of memory in use. ENERGY: 1407200 4078.1484 20755.9243 14554.4483 235.6744 -203077.7365 2504.8285 0.0000 0.0000 52098.2340 -108850.4786 299.4093 -160948.7126 -108490.0096 299.5180 -109.5672 -87.5447 764795.5574 3.5972 3.4376 PRESSURE: 1407400 -256.225 28.6657 -7.08578 28.6654 -132.857 -47.308 -7.08597 -47.3084 -102.816 GPRESSURE: 1407400 -226.063 21.8783 -5.26571 63.2833 -56.8169 46.6095 19.7072 -24.6501 -114.01 PRESSAVG: 1407400 9.92093 43.4011 5.597 43.401 -44.0129 -29.432 5.597 -29.432 -0.493169 GPRESSAVG: 1407400 8.92114 43.2334 5.36066 45.3319 -42.4273 -28.4144 5.22396 -29.3287 -1.03521 TIMING: 1407400 CPU: 4449.1, 0.00315109/step Wall: 4449.1, 0.00315109/step, 3.14462 hours remaining, 233.796875 MB of memory in use. ENERGY: 1407400 4086.9746 20702.3263 14501.3432 232.0643 -202837.4937 2487.3892 0.0000 0.0000 51964.9266 -108862.4695 298.6431 -160827.3961 -108499.3894 300.4297 -163.9662 -132.2965 764062.6257 -11.5284 -11.5138 PRESSURE: 1407600 -145.78 -56.7853 -170.319 -56.785 -605.862 -320.544 -170.319 -320.543 -146.438 GPRESSURE: 1407600 -133.171 -34.4721 -168.446 -48.4764 -504.508 -227.4 -62.3866 -355.472 -186.524 PRESSAVG: 1407600 81.53 -5.69866 2.78178 -5.6987 -105.296 -17.5211 2.78179 -17.5212 10.6214 GPRESSAVG: 1407600 80.8191 -4.94707 0.524275 -7.40978 -103.561 -18.5822 3.84908 -17.1961 9.80314 TIMING: 1407600 CPU: 4449.72, 0.00314133/step Wall: 4449.72, 0.00314133/step, 3.1347 hours remaining, 233.796875 MB of memory in use. ENERGY: 1407600 4086.7721 20663.6948 14580.9762 262.3584 -203627.3018 2816.0748 0.0000 0.0000 52246.8364 -108970.5892 300.2633 -161217.4255 -108618.9898 299.8886 -299.3597 -274.7346 764837.1621 -4.3815 -4.3129 PRESSURE: 1407800 -10.9204 67.098 -141.835 67.0979 -336.859 4.52997 -141.835 4.52966 -285.202 GPRESSURE: 1407800 20.5583 -14.2331 -141.584 -4.37547 -224.132 -3.95494 -126.032 91.7823 -328.454 PRESSAVG: 1407800 47.3692 -21.1011 -8.2657 -21.1011 -96.3261 -1.04233 -8.26566 -1.04241 -7.09012 GPRESSAVG: 1407800 47.8884 -21.1746 -5.51965 -22.0817 -97.3721 1.48755 -8.30747 -1.39276 -6.73731 TIMING: 1407800 CPU: 4450.35, 0.00315137/step Wall: 4450.35, 0.00315137/step, 3.14454 hours remaining, 233.796875 MB of memory in use. ENERGY: 1407800 4037.3635 20606.8567 14571.1848 257.2478 -203329.9652 2782.7647 0.0000 0.0000 52082.5934 -108991.9543 299.3194 -161074.5477 -108619.7051 299.6613 -210.9936 -177.3425 764983.8263 -18.6823 -18.7403 PRESSURE: 1408000 -156.742 -150.232 189.185 -150.232 -466.287 -142.486 189.186 -142.487 49.9175 GPRESSURE: 1408000 -100.013 -80.7072 100.929 -172.408 -449.992 -109.501 52.8838 -162.909 78.8289 PRESSAVG: 1408000 51.185 -40.2837 -62.0189 -40.2837 -44.2794 -33.3937 -62.0189 -33.3937 22.0616 GPRESSAVG: 1408000 50.7866 -40.2221 -62.0949 -39.563 -44.7558 -34.7913 -63.214 -33.2139 23.2841 TIMING: 1408000 CPU: 4450.99, 0.00317217/step Wall: 4450.99, 0.00317217/step, 3.16512 hours remaining, 233.796875 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 4114.8479 20542.4190 14536.6200 229.3932 -203191.1884 2785.5450 0.0000 0.0000 51967.9582 -109014.4051 298.6606 -160982.3632 -108673.5434 299.3034 -191.0372 -157.0589 764659.3349 9.6557 9.7716 PRESSURE: 1408200 -246.69 -160.306 -144.226 -160.305 -262.943 -320.678 -144.227 -320.678 -117.804 GPRESSURE: 1408200 -181.805 -43.4137 -43.1173 -173.452 -219.604 -322.98 -142.457 -196.592 -157.162 PRESSAVG: 1408200 51.4955 -4.31358 24.3664 -4.31358 -74.2347 -10.248 24.3663 -10.2479 2.65866 GPRESSAVG: 1408200 51.4601 -5.60641 23.5228 -3.54046 -73.7836 -10.5559 25.2494 -10.4594 2.29074 TIMING: 1408200 CPU: 4451.62, 0.00316594/step Wall: 4451.62, 0.00316594/step, 3.15873 hours remaining, 233.796875 MB of memory in use. ENERGY: 1408200 4015.6696 20687.5020 14477.7456 229.9403 -203185.4673 2872.7798 0.0000 0.0000 51980.0806 -108921.7493 298.7302 -160901.8300 -108566.4476 299.2229 -209.1454 -186.1903 763835.3496 -6.6935 -6.6776 LDB: ============= START OF LOAD BALANCING ============== 4464.16 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4464.16 LDB: =============== DONE WITH MIGRATION ================ 4464.16 LDB: ============= START OF LOAD BALANCING ============== 4464.48 LDB: Largest compute 7060 load 0.032591 is 16.7% of average load 0.195527 LDB: Average compute 0.004375 is 2.2% of average load 0.195527 LDB: TIME 4464.48 LOAD: AVG 0.195527 MAX 0.215466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.879 MB LDB: TIME 4464.48 LOAD: AVG 0.195527 MAX 0.215466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.082 MB LDB: TIME 4464.48 LOAD: AVG 0.195527 MAX 0.215466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.082 MB LDB: ============== END OF LOAD BALANCING =============== 4464.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4464.49 PRESSURE: 1408400 125.157 48.7034 168.238 48.7037 -263.895 -151.906 168.238 -151.904 -240.18 GPRESSURE: 1408400 170.664 103.394 134.463 76.047 -195.091 -124.405 149.206 -108.955 -259.028 PRESSAVG: 1408400 45.0993 -26.7208 30.9581 -26.7208 -31.0663 5.36658 30.9582 5.36654 -8.03805 GPRESSAVG: 1408400 46.0913 -26.315 30.8774 -28.2446 -31.9576 5.89097 31.3125 5.07774 -7.92703 TIMING: 1408400 CPU: 4452.27, 0.00324471/step Wall: 4452.27, 0.00324471/step, 3.23713 hours remaining, 232.367188 MB of memory in use. ENERGY: 1408400 3986.6712 20517.7929 14610.1496 251.4328 -202970.5171 2464.4938 0.0000 0.0000 52193.9911 -108945.9857 299.9596 -161139.9768 -108592.1024 299.6147 -126.3058 -94.4851 763920.3333 1.9983 2.0689 PRESSURE: 1408600 50.6076 42.1407 344.839 42.1409 -121.067 44.1897 344.839 44.1881 415.652 GPRESSURE: 1408600 127.431 185.964 251.936 2.20647 -32.7843 44.9334 248.313 -91.4903 367.961 PRESSAVG: 1408600 33.1493 -72.291 40.6153 -72.291 -46.6047 49.0052 40.6154 49.0051 -17.9479 GPRESSAVG: 1408600 33.0762 -71.4718 42.0039 -72.669 -47.2765 47.8313 39.9258 49.3021 -17.6783 TIMING: 1408600 CPU: 4452.91, 0.00318256/step Wall: 4452.91, 0.00318256/step, 3.17496 hours remaining, 232.367188 MB of memory in use. ENERGY: 1408600 3898.2407 20600.3437 14479.0920 250.5303 -203437.1306 2870.5756 0.0000 0.0000 52478.8401 -108859.5083 301.5966 -161338.3484 -108503.7523 299.9682 115.0640 154.2023 762420.2580 -10.4678 -10.6262 PRESSURE: 1408800 377.711 163.51 -188.4 163.51 -29.3208 43.5334 -188.401 43.5344 -29.876 GPRESSURE: 1408800 407.268 82.774 -144.65 140.843 60.2459 26.4891 -163.232 -13.2353 -66.915 PRESSAVG: 1408800 35.2203 -6.4533 -7.30383 -6.45323 -38.135 16.016 -7.30382 16.016 14.8806 GPRESSAVG: 1408800 35.4688 -7.38074 -7.79347 -5.29316 -37.4252 17.5907 -7.61245 15.346 14.5784 TIMING: 1408800 CPU: 4453.54, 0.00316695/step Wall: 4453.54, 0.00316695/step, 3.15921 hours remaining, 232.367188 MB of memory in use. ENERGY: 1408800 4009.9430 20306.5153 14514.1102 245.7094 -203298.0932 2792.2419 0.0000 0.0000 52257.4756 -109172.0979 300.3244 -161429.5734 -108811.5933 299.7451 106.1715 133.5328 762382.9322 3.9886 4.2073 PRESSURE: 1409000 216.966 -196.191 70.5625 -196.19 -215.452 33.6201 70.5616 33.62 382.746 GPRESSURE: 1409000 97.1206 -176.49 96.7865 -228.188 -117.917 111.305 10.2462 -75.9838 462.924 PRESSAVG: 1409000 27.5982 -40.509 34.8824 -40.5091 -64.9599 26.6911 34.8824 26.6911 0.76198 GPRESSAVG: 1409000 27.6259 -39.2624 34.199 -41.8606 -64.7907 25.4575 34.9764 27.487 0.561782 TIMING: 1409000 CPU: 4454.17, 0.00314657/step Wall: 4454.17, 0.00314657/step, 3.1387 hours remaining, 232.367188 MB of memory in use. ENERGY: 1409000 3903.8508 20533.4304 14574.8107 250.7356 -202851.2695 2392.4030 0.0000 0.0000 51898.0229 -109298.0162 298.2587 -161196.0391 -108937.2496 298.8877 128.0869 147.3758 761730.4177 -12.1999 -12.2010 PRESSURE: 1409200 -34.3384 194.003 -15.4237 194.003 -105.331 -174.314 -15.425 -174.313 360.024 GPRESSURE: 1409200 34.4394 189.712 -19.1211 61.9971 -87.3571 -233.422 -34.8141 -160.644 345.21 PRESSAVG: 1409200 29.9426 -16.1966 5.14095 -16.1966 -48.7478 44.6345 5.14094 44.6345 10.8033 GPRESSAVG: 1409200 29.212 -17.3583 6.58193 -15.3358 -47.5675 45.1647 6.12356 45.0322 10.4988 TIMING: 1409200 CPU: 4454.8, 0.00314368/step Wall: 4454.8, 0.00314368/step, 3.13565 hours remaining, 232.367188 MB of memory in use. ENERGY: 1409200 3964.0143 20445.0352 14575.3872 236.3016 -203583.4269 2766.3826 0.0000 0.0000 52229.0642 -109367.2417 300.1611 -161596.3059 -109004.8585 298.5732 73.4518 97.4309 761956.8085 -2.6673 -2.6189 PRESSURE: 1409400 -262.959 -77.8186 16.5718 -77.8184 276.367 34.9679 16.5716 34.9673 383.979 GPRESSURE: 1409400 -67.5125 -86.3852 -6.45454 -85.0356 258.946 73.1917 57.2702 58.147 286.864 PRESSAVG: 1409400 -7.37261 -52.7388 12.4074 -52.7388 -20.0159 51.9702 12.4074 51.9703 6.42605 GPRESSAVG: 1409400 -6.95881 -52.3589 10.1506 -51.9503 -20.8832 52.6817 14.8634 52.6129 6.43284 TIMING: 1409400 CPU: 4455.43, 0.00315606/step Wall: 4455.43, 0.00315606/step, 3.14782 hours remaining, 232.367188 MB of memory in use. ENERGY: 1409400 3826.2686 20513.9483 14569.6733 236.2009 -203353.0284 2978.5665 0.0000 0.0000 51964.3877 -109263.9831 298.6401 -161228.3708 -108894.3667 298.7579 132.4623 159.4327 763444.2531 -6.9875 -7.1364 PRESSURE: 1409600 184.244 -162.115 -69.8527 -162.115 -135.627 -53.5424 -69.8535 -53.5416 22.3069 GPRESSURE: 1409600 205.15 -214.588 2.23965 -156.784 -89.0702 -131.662 -113.837 -1.18338 46.7361 PRESSAVG: 1409600 56.1427 -24.8932 43.8931 -24.8932 -85.2796 -29.3794 43.8931 -29.3794 -13.7431 GPRESSAVG: 1409600 57.1105 -24.4786 43.6918 -25.5455 -87.1329 -29.7418 41.9569 -28.3811 -12.2326 TIMING: 1409600 CPU: 4456.06, 0.00314477/step Wall: 4456.06, 0.00314477/step, 3.13638 hours remaining, 232.367188 MB of memory in use. ENERGY: 1409600 3952.6610 20422.2697 14527.5691 259.4515 -203699.0668 2811.1835 0.0000 0.0000 52160.8058 -109565.1261 299.7689 -161725.9320 -109196.3381 298.0866 23.6414 54.2720 762519.0836 -14.2934 -14.0850 PRESSURE: 1409800 -188.308 44.7131 30.1371 44.7128 53.0244 -36.5577 30.1368 -36.5576 -78.8996 GPRESSURE: 1409800 -162.693 -160.484 35.77 15.1287 82.3154 8.55341 0.273548 16.2448 -71.9292 PRESSAVG: 1409800 49.234 -20.49 10.2434 -20.49 -21.646 -19.2064 10.2433 -19.2064 7.77259 GPRESSAVG: 1409800 48.1287 -21.8922 11.7542 -20.7172 -20.0694 -19.6612 10.169 -21.1124 6.96924 TIMING: 1409800 CPU: 4456.69, 0.00314864/step Wall: 4456.69, 0.00314864/step, 3.14007 hours remaining, 232.367188 MB of memory in use. ENERGY: 1409800 4002.8348 20509.9131 14615.3715 243.7382 -203646.3886 2781.0499 0.0000 0.0000 52059.6893 -109433.7918 299.1878 -161493.4811 -109070.6496 298.5323 -71.3945 -50.7687 762300.5299 11.7869 11.6762 PRESSURE: 1410000 -6.39777 -84.3934 123.674 -84.3944 -255.72 -1.67467 123.674 -1.6746 -425.143 GPRESSURE: 1410000 65.8116 26.454 62.8309 -65.7003 -271.849 35.7771 85.067 -11.1587 -384.552 PRESSAVG: 1410000 29.6193 -33.5918 27.4548 -33.5919 -36.2603 -22.8722 27.4548 -22.8722 13.0369 GPRESSAVG: 1410000 29.4946 -32.3848 27.6104 -33.5586 -35.5188 -23.3549 27.6925 -22.6173 12.384 TIMING: 1410000 CPU: 4457.32, 0.00315649/step Wall: 4457.32, 0.00315649/step, 3.14772 hours remaining, 232.367188 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: 1410000 3969.9362 20507.8338 14617.7253 239.1305 -203539.5018 2646.7429 0.0000 0.0000 52170.4352 -109387.6978 299.8242 -161558.1330 -109031.2804 298.8988 -229.0871 -196.8631 762994.3692 2.1320 2.1199 PRESSURE: 1410200 -304.037 1.93687 -147.022 1.93727 -131.536 -23.6174 -147.022 -23.6184 -33.3875 GPRESSURE: 1410200 -317.51 39.0686 -217.038 -42.9746 -102.344 -96.3259 -162.332 -89.6384 23.5232 PRESSAVG: 1410200 25.9574 -68.6058 25.6605 -68.6058 -39.4752 -4.14404 25.6605 -4.14411 -24.8563 GPRESSAVG: 1410200 26.5003 -68.8476 25.9225 -67.4476 -41.6729 -4.06749 25.3503 -5.24257 -23.4141 TIMING: 1410200 CPU: 4457.95, 0.003161/step Wall: 4457.95, 0.003161/step, 3.15205 hours remaining, 232.367188 MB of memory in use. ENERGY: 1410200 4076.8350 20726.0278 14571.7210 245.9815 -203789.8526 2998.1745 0.0000 0.0000 51935.4359 -109235.6769 298.4737 -161171.1127 -108876.4740 298.9880 -156.3203 -132.1103 763123.9964 -12.7914 -12.8622 PRESSURE: 1410400 15.5568 -103.97 -159.745 -103.97 111.013 -193.475 -159.744 -193.475 183.213 GPRESSURE: 1410400 27.2303 -160.101 -135.279 -134.261 201.726 -199.9 -91.7082 -187.94 175.077 PRESSAVG: 1410400 -2.9543 -23.0551 6.68769 -23.055 -3.42555 39.4901 6.68772 39.4901 21.5426 GPRESSAVG: 1410400 -4.08861 -22.9188 6.14218 -23.5328 -1.18438 39.2029 5.55719 40.8838 20.7514 TIMING: 1410400 CPU: 4458.58, 0.00314871/step Wall: 4458.58, 0.00314871/step, 3.13961 hours remaining, 232.367188 MB of memory in use. ENERGY: 1410400 4024.9550 20497.9375 14642.0252 248.0695 -203548.9736 2706.9002 0.0000 0.0000 52066.6799 -109362.4065 299.2279 -161429.0864 -109006.7178 298.9882 103.2608 134.6778 760734.7886 5.0542 5.1595 PRESSURE: 1410600 -251.356 32.162 -128.58 32.1616 -267.179 46.4605 -128.579 46.461 91.3826 GPRESSURE: 1410600 -115.516 131.175 -81.2257 84.9333 -312.508 99.7115 -111.131 72.9434 71.5431 PRESSAVG: 1410600 9.8458 -7.80478 22.299 -7.80476 -13.0314 35.9741 22.299 35.9741 -2.56569 GPRESSAVG: 1410600 11.4361 -5.43063 23.6984 -6.3736 -14.1056 36.7968 22.4099 36.1324 -2.8317 TIMING: 1410600 CPU: 4459.22, 0.00316596/step Wall: 4459.22, 0.00316596/step, 3.15664 hours remaining, 232.367188 MB of memory in use. ENERGY: 1410600 4037.2866 20506.0536 14479.7331 252.8760 -203369.3193 2598.1156 0.0000 0.0000 52083.5609 -109411.6936 299.3249 -161495.2545 -109050.2937 299.1923 -142.3841 -118.8270 761972.3908 -1.9171 -1.8337 PRESSURE: 1410800 16.3568 10.7092 46.9642 10.7092 -240.427 -96.7355 46.9642 -96.735 -105.637 GPRESSURE: 1410800 7.43973 88.8681 41.7937 -41.3653 -120.545 -99.0771 39.6376 -93.0787 -138.275 PRESSAVG: 1410800 11.6856 -2.46656 10.3918 -2.46661 -15.6977 25.0228 10.3917 25.0229 6.7286 GPRESSAVG: 1410800 12.2186 -4.39399 8.9186 -3.87457 -15.3098 24.5176 10.9402 23.407 6.074 TIMING: 1410800 CPU: 4459.85, 0.00318625/step Wall: 4459.85, 0.00318625/step, 3.17669 hours remaining, 232.367188 MB of memory in use. ENERGY: 1410800 3973.0859 20691.1593 14531.4558 255.2805 -203284.3952 2490.6085 0.0000 0.0000 51811.4288 -109531.3767 297.7610 -161342.8054 -109169.3579 298.9387 -109.9025 -83.7934 762231.7938 0.9055 0.9943 PRESSURE: 1411000 318.1 -281.781 192.666 -281.78 -355.632 -100.741 192.667 -100.74 409.851 GPRESSURE: 1411000 334.068 -179.762 130.98 -276.289 -372.823 -95.1622 35.292 -37.2604 487.243 PRESSAVG: 1411000 23.7521 -21.7754 -26.5741 -21.7755 -35.1275 43.0713 -26.5741 43.0712 7.63457 GPRESSAVG: 1411000 23.1418 -24.5553 -26.8351 -18.8257 -34.8099 40.8505 -26.5318 44.1927 8.26755 TIMING: 1411000 CPU: 4460.48, 0.00314829/step Wall: 4460.48, 0.00314829/step, 3.13867 hours remaining, 232.367188 MB of memory in use. ENERGY: 1411000 3995.5101 20407.5307 14557.5293 240.4068 -203849.5973 2950.3803 0.0000 0.0000 52228.0446 -109470.1955 300.1553 -161698.2401 -109094.5051 299.1858 124.1059 149.4961 760584.6230 -1.2469 -1.1335 PRESSURE: 1411200 96.566 -237.094 64.4849 -237.094 -197.792 -64.7557 64.4848 -64.7552 -205.84 GPRESSURE: 1411200 162.532 -275.381 151.69 -139.109 -105.437 -87.9312 -7.64914 -137.1 -270.435 PRESSAVG: 1411200 9.45149 -47.5914 18.359 -47.5914 22.0544 7.88363 18.359 7.88366 -1.45559 GPRESSAVG: 1411200 9.9032 -46.0975 18.4539 -48.9958 22.4106 12.2436 17.1433 7.91893 -2.4195 TIMING: 1411200 CPU: 4461.11, 0.003154/step Wall: 4461.11, 0.003154/step, 3.14418 hours remaining, 232.367188 MB of memory in use. ENERGY: 1411200 4002.5347 20545.8052 14582.5801 240.9317 -203196.1554 2547.3185 0.0000 0.0000 52033.7480 -109243.2373 299.0387 -161276.9853 -108885.3746 298.8083 -102.3551 -71.1131 762118.4062 10.0168 9.9648 PRESSURE: 1411400 -495.851 130.545 -44.0618 130.544 -77.6947 -19.1522 -44.0616 -19.1522 -174.108 GPRESSURE: 1411400 -448.632 192.677 -94.1125 80.5503 -92.8213 -45.5745 -97.7896 -48.8582 -106.237 PRESSAVG: 1411400 41.0762 0.670806 26.6919 0.670774 -33.0956 13.2294 26.6919 13.2293 -3.57741 GPRESSAVG: 1411400 41.2157 1.37363 27.5341 2.83156 -33.8982 10.8486 28.4445 12.5118 -3.02159 TIMING: 1411400 CPU: 4461.74, 0.00315308/step Wall: 4461.74, 0.00315308/step, 3.1431 hours remaining, 232.367188 MB of memory in use. ENERGY: 1411400 4039.6210 20499.7687 14556.3248 263.9742 -203277.0664 2700.0242 0.0000 0.0000 52018.4351 -109198.9183 298.9507 -161217.3534 -108838.6961 298.9056 -249.2179 -215.8967 763600.9738 1.4677 1.4320 PRESSURE: 1411600 251.698 -128.219 4.27566 -128.22 -187.584 -97.5535 4.27536 -97.5527 12.8627 GPRESSURE: 1411600 220.154 -96.6605 -8.32526 -158.883 -60.2297 -63.2599 43.1095 31.1644 -41.3527 PRESSAVG: 1411600 26.342 -1.26776 -38.4436 -1.26781 17.4405 0.201063 -38.4437 0.201066 -2.9046 GPRESSAVG: 1411600 24.8259 -0.585789 -38.3454 -4.76652 18.3418 1.62744 -38.623 0.712306 -2.72903 TIMING: 1411600 CPU: 4462.37, 0.00313843/step Wall: 4462.37, 0.00313843/step, 3.12832 hours remaining, 232.367188 MB of memory in use. ENERGY: 1411600 3920.6030 20565.8005 14563.2212 233.0886 -203310.4895 2917.1906 0.0000 0.0000 51941.7737 -109168.8119 298.5101 -161110.5856 -108809.7754 299.3991 25.6589 39.5238 763155.5126 13.6260 13.4796 PRESSURE: 1411800 -215.157 144.564 29.2643 144.564 -145.19 104.187 29.2645 104.187 -299.688 GPRESSURE: 1411800 -219.652 219.426 107.179 97.617 -45.9471 92.8286 -82.4627 68.5327 -306.618 PRESSAVG: 1411800 14.511 22.955 45.4116 22.955 -2.21747 36.6684 45.4115 36.6683 -2.63102 GPRESSAVG: 1411800 15.9716 21.5824 43.8305 23.2775 -2.52643 35.8813 48.1991 37.3827 -3.14022 TIMING: 1411800 CPU: 4463.01, 0.00316993/step Wall: 4463.01, 0.00316993/step, 3.15954 hours remaining, 232.367188 MB of memory in use. ENERGY: 1411800 3985.9302 20532.0381 14520.3288 226.7730 -202524.2056 2164.1455 0.0000 0.0000 51954.2393 -109140.7507 298.5817 -161094.9901 -108776.4141 299.1755 -220.0118 -190.7392 763708.7387 3.2208 3.4350 PRESSURE: 1412000 -279.008 81.9175 159.562 81.9167 199.406 31.4861 159.562 31.4858 -298.117 GPRESSURE: 1412000 -192.306 120.67 117.361 61.8468 159.871 119.073 -33.7846 5.5769 -280.685 PRESSAVG: 1412000 22.9161 -22.7444 12.547 -22.7444 -11.9632 -19.3293 12.547 -19.3293 -25.196 GPRESSAVG: 1412000 21.9076 -20.3667 12.6509 -23.5181 -12.372 -19.3558 10.7246 -18.5344 -23.6499 TIMING: 1412000 CPU: 4463.64, 0.00319125/step Wall: 4463.64, 0.00319125/step, 3.18062 hours remaining, 232.367188 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: 1412000 3995.0179 20608.5000 14563.9538 240.8001 -203348.4004 2907.0158 0.0000 0.0000 51695.8229 -109337.2900 297.0966 -161033.1129 -108977.5585 298.6758 -125.9064 -104.3735 763173.5458 -4.7477 -4.7048 PRESSURE: 1412200 -189.201 -202.112 147.543 -202.112 -297.781 -218.435 147.543 -218.435 -244.295 GPRESSURE: 1412200 -118.334 -121.814 126.372 -99.4916 -191.736 -207.264 174.798 -144.563 -336.277 PRESSAVG: 1412200 17.7685 45.9536 5.7863 45.9536 -4.42366 33.5099 5.78636 33.5099 23.3418 GPRESSAVG: 1412200 18.8035 44.6369 6.01652 48.2245 -4.05824 32.3159 4.95395 33.1127 22.3383 TIMING: 1412200 CPU: 4464.28, 0.00317214/step Wall: 4464.28, 0.00317214/step, 3.16139 hours remaining, 232.367188 MB of memory in use. ENERGY: 1412200 3970.5148 20452.6465 14582.3023 228.6421 -202883.5778 2326.3229 0.0000 0.0000 52003.6508 -109319.4984 298.8657 -161323.1492 -108943.6534 298.6387 -243.7586 -215.4489 763044.5224 12.2289 12.3612 LDB: ============= START OF LOAD BALANCING ============== 4476.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4476.81 LDB: =============== DONE WITH MIGRATION ================ 4476.82 LDB: ============= START OF LOAD BALANCING ============== 4477.13 LDB: Largest compute 7060 load 0.032918 is 16.8% of average load 0.195417 LDB: Average compute 0.004383 is 2.2% of average load 0.195417 LDB: TIME 4477.14 LOAD: AVG 0.195417 MAX 0.214371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.16 MB LDB: TIME 4477.14 LOAD: AVG 0.195417 MAX 0.214371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 4477.14 LOAD: AVG 0.195417 MAX 0.214371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 4477.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4477.14 PRESSURE: 1412400 -287.117 -10.3431 -102.755 -10.343 72.7133 -85.1014 -102.755 -85.1014 38.6004 GPRESSURE: 1412400 -215.809 -58.0964 -59.8394 70.3006 128.715 -16.1757 -63.0296 -104.392 -3.57386 PRESSAVG: 1412400 -27.5436 -18.4995 -18.1187 -18.4995 20.4966 24.6849 -18.1187 24.685 -6.49206 GPRESSAVG: 1412400 -29.3397 -17.329 -17.8828 -17.8635 22.0056 26.8984 -17.2279 24.0965 -6.54332 TIMING: 1412400 CPU: 4464.93, 0.00323765/step Wall: 4464.93, 0.00323765/step, 3.2265 hours remaining, 234.929688 MB of memory in use. ENERGY: 1412400 3963.5766 20216.3999 14516.6245 238.5689 -202926.7771 2504.2006 0.0000 0.0000 51990.4204 -109496.9863 298.7897 -161487.4067 -109130.2736 298.6142 -58.6010 -30.2225 763698.1439 -4.5130 -4.6258 PRESSURE: 1412600 41.3458 91.7174 -141.176 91.7178 -312.433 -129.061 -141.176 -129.062 -385.609 GPRESSURE: 1412600 64.2691 81.1772 -49.2589 -90.0286 -281.421 -55.6856 -148.866 -63.9622 -374.378 PRESSAVG: 1412600 -40.2143 -14.0032 -22.2649 -14.0033 62.4836 19.8 -22.2648 19.8 9.49617 GPRESSAVG: 1412600 -39.5321 -14.5159 -22.2511 -15.0053 61.5352 17.9813 -22.4004 19.6769 10.2521 TIMING: 1412600 CPU: 4465.56, 0.00316093/step Wall: 4465.56, 0.00316093/step, 3.14987 hours remaining, 235.066406 MB of memory in use. ENERGY: 1412600 4007.2948 20455.4442 14608.1676 234.6320 -203479.2289 2644.9192 0.0000 0.0000 52002.9151 -109525.8561 298.8615 -161528.7711 -109172.6416 298.3611 -218.8984 -197.1765 762715.5644 10.5885 10.7517 PRESSURE: 1412800 -221.81 74.335 91.0186 74.3347 85.7907 -129.198 91.0189 -129.198 -56.5015 GPRESSURE: 1412800 -151.977 -100.49 -39.5725 120.973 111.8 -48.6547 57.6973 -85.7499 -65.3618 PRESSAVG: 1412800 21.8071 -24.5164 5.04378 -24.5163 -29.821 20.745 5.04378 20.7449 2.90462 GPRESSAVG: 1412800 21.5771 -25.5315 5.70898 -23.3148 -29.1268 22.382 6.38764 23.1193 1.88548 TIMING: 1412800 CPU: 4466.2, 0.0031902/step Wall: 4466.2, 0.0031902/step, 3.17886 hours remaining, 235.066406 MB of memory in use. ENERGY: 1412800 4047.4388 20511.4347 14606.5338 250.5793 -203425.2672 2686.8661 0.0000 0.0000 52212.7210 -109109.6935 300.0672 -161322.4145 -108743.3149 298.9049 -64.1737 -35.1794 762432.4471 -1.7031 -1.8881 PRESSURE: 1413000 -56.4026 4.01594 105.583 4.01598 107.474 93.4314 105.584 93.4313 -126.002 GPRESSURE: 1413000 -4.18176 77.151 65.7185 -160.146 193.704 121.871 84.8095 87.2294 -181.001 PRESSAVG: 1413000 18.792 6.13049 12.8188 6.13048 22.0059 24.069 12.8189 24.069 11.3613 GPRESSAVG: 1413000 19.5577 7.9583 10.6216 4.77727 21.0493 24.1235 11.4625 20.5863 11.5917 TIMING: 1413000 CPU: 4466.83, 0.00317264/step Wall: 4466.83, 0.00317264/step, 3.16119 hours remaining, 235.257812 MB of memory in use. ENERGY: 1413000 4031.5241 20650.1836 14497.8406 246.2760 -203170.9416 2596.2500 0.0000 0.0000 51894.7944 -109254.0727 298.2401 -161148.8672 -108894.2111 299.0967 -24.9768 2.8405 761462.2486 17.3864 17.3996 PRESSURE: 1413200 -484.896 -126.687 -131.59 -126.687 -431.357 -44.1169 -131.59 -44.1176 -109.628 GPRESSURE: 1413200 -439.267 -67.2517 -79.3699 -106.539 -379.675 -139.179 -128.502 -18.6573 -131.938 PRESSAVG: 1413200 -36.58 -49.8299 -44.0831 -49.8299 45.6312 4.55136 -44.0831 4.55142 -14.6859 GPRESSAVG: 1413200 -36.4036 -52.1692 -43.5844 -49.9923 45.9264 1.09189 -41.9837 8.93924 -14.8662 TIMING: 1413200 CPU: 4467.46, 0.0031505/step Wall: 4467.46, 0.0031505/step, 3.13895 hours remaining, 235.460938 MB of memory in use. ENERGY: 1413200 4017.3967 20495.6385 14577.5674 247.7852 -202918.6153 2386.8393 0.0000 0.0000 52035.3542 -109158.0341 299.0479 -161193.3883 -108782.9105 298.8700 -341.9602 -316.9600 763809.7646 -1.8782 -1.7811 PRESSURE: 1413400 -154.579 -141.539 -120.711 -141.539 -282.229 13.3169 -120.711 13.3168 186.669 GPRESSURE: 1413400 -88.8862 -44.0735 -103.247 -169.707 -256.456 88.3937 -32.9593 25.019 180.071 PRESSAVG: 1413400 24.9016 -43.0765 -38.1736 -43.0765 -43.8671 -24.5595 -38.1736 -24.5596 6.40684 GPRESSAVG: 1413400 24.8169 -44.5381 -36.9627 -40.9393 -43.7367 -19.6444 -42.0083 -26.7891 6.01337 TIMING: 1413400 CPU: 4468.09, 0.0031563/step Wall: 4468.09, 0.0031563/step, 3.14456 hours remaining, 235.460938 MB of memory in use. ENERGY: 1413400 4052.2642 20593.0134 14576.8793 241.1466 -203619.4186 2830.1120 0.0000 0.0000 52283.1204 -109042.8827 300.4718 -161326.0030 -108677.8009 299.1989 -83.3795 -55.0905 762831.9289 -4.1862 -4.3022 PRESSURE: 1413600 7.8322 -61.1869 -138.368 -61.1868 21.3409 145.594 -138.368 145.593 -124.414 GPRESSURE: 1413600 29.5041 -124.29 -154.267 18.7434 53.973 147.843 -158.979 180.963 -86.3616 PRESSAVG: 1413600 9.26463 -6.87858 -8.77478 -6.87853 23.8191 10.4762 -8.77478 10.4762 -21.8388 GPRESSAVG: 1413600 7.74307 -3.52113 -8.86859 -7.93892 24.7615 9.72874 -6.32625 10.0035 -21.7837 TIMING: 1413600 CPU: 4468.73, 0.00317553/step Wall: 4468.73, 0.00317553/step, 3.16354 hours remaining, 235.460938 MB of memory in use. ENERGY: 1413600 4093.2917 20524.0617 14532.1537 244.3870 -203297.3316 2817.3939 0.0000 0.0000 52098.7791 -108987.2646 299.4124 -161086.0437 -108636.7735 299.6786 -31.7471 -0.9615 764656.5486 3.7483 3.5736 PRESSURE: 1413800 50.2374 -114.338 -190.924 -114.338 257.274 -24.8205 -190.925 -24.8196 71.9783 GPRESSURE: 1413800 70.2127 -123.18 -241.788 -154.843 312.855 -1.91398 -46.8456 7.98786 88.4831 PRESSAVG: 1413800 23.2017 -41.9236 -0.718604 -41.9236 -9.38097 -31.9294 -0.718652 -31.9294 -0.837564 GPRESSAVG: 1413800 23.9791 -42.679 -0.96991 -41.6699 -10.6062 -32.127 -0.929587 -30.1285 -0.181672 TIMING: 1413800 CPU: 4469.36, 0.0031861/step Wall: 4469.36, 0.0031861/step, 3.17389 hours remaining, 235.460938 MB of memory in use. ENERGY: 1413800 3958.6109 20563.0375 14567.9577 237.6286 -203648.2218 3090.5453 0.0000 0.0000 52349.3845 -108881.0572 300.8526 -161230.4418 -108517.9250 299.9564 126.4966 157.1835 762085.4915 4.3277 4.3971 PRESSURE: 1414000 -15.5767 41.1323 74.219 41.132 -89.5172 97.9283 74.219 97.9279 -356.631 GPRESSURE: 1414000 38.9305 19.5658 123.385 99.8935 -153.786 8.16142 13.2224 225.301 -271.498 PRESSAVG: 1414000 19.577 -41.5573 28.2385 -41.5573 -48.8207 17.3099 28.2386 17.31 -1.26258 GPRESSAVG: 1414000 19.3028 -40.4045 29.2412 -43.1223 -49.0455 16.5661 26.3157 17.2547 -1.17545 TIMING: 1414000 CPU: 4470, 0.00317575/step Wall: 4470, 0.00317575/step, 3.1634 hours remaining, 235.460938 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: 1414000 4087.2612 20659.4465 14563.0717 241.6007 -203265.7299 2636.2420 0.0000 0.0000 52083.6931 -108994.4147 299.3257 -161078.1078 -108649.4775 299.5535 -153.9083 -128.7846 764808.8552 -10.1688 -10.3061 PRESSURE: 1414200 -29.4449 52.1307 -106.296 52.1309 -202.873 36.172 -106.296 36.1717 -235.231 GPRESSURE: 1414200 -94.3057 -27.5797 10.1716 63.9204 -72.056 19.2808 -135.994 -28.8438 -215.962 PRESSAVG: 1414200 16.6126 -61.0742 33.9442 -61.0742 -15.2501 30.2409 33.9443 30.2409 -32.4494 GPRESSAVG: 1414200 16.6776 -63.1761 32.8395 -61.1545 -15.5601 31.4587 33.468 27.5892 -32.2603 TIMING: 1414200 CPU: 4470.64, 0.00318523/step Wall: 4470.64, 0.00318523/step, 3.17267 hours remaining, 235.460938 MB of memory in use. ENERGY: 1414200 4058.8326 20438.2647 14552.3912 231.8879 -202954.4856 2633.9105 0.0000 0.0000 52035.4754 -109003.7233 299.0486 -161039.1987 -108637.0014 299.8920 -155.8497 -127.4411 765087.0129 -10.3623 -10.3810 PRESSURE: 1414400 -127.775 6.97983 -2.35965 6.97972 60.8561 -42.397 -2.36031 -42.3958 -97.3354 GPRESSURE: 1414400 -2.25903 -153.481 -55.7328 -9.39797 -11.9083 -9.93387 7.71453 -109.884 -71.5443 PRESSAVG: 1414400 20.1016 -8.37393 5.13101 -8.37397 -40.8688 13.578 5.13094 13.578 -3.40776 GPRESSAVG: 1414400 19.3634 -6.14506 4.58133 -8.56137 -40.3692 13.1404 7.98672 13.9142 -3.51417 TIMING: 1414400 CPU: 4471.27, 0.00318204/step Wall: 4471.27, 0.00318204/step, 3.16931 hours remaining, 235.460938 MB of memory in use. ENERGY: 1414400 3921.2502 20490.0580 14566.8396 253.7760 -203242.1841 2440.3766 0.0000 0.0000 52362.4288 -109207.4547 300.9276 -161569.8835 -108832.9975 299.4947 -54.7515 -28.5706 763035.2771 -8.0583 -8.1733 PRESSURE: 1414600 337.382 20.8215 -52.4422 20.8215 217.329 32.7849 -52.4415 32.7845 261.305 GPRESSURE: 1414600 315.572 98.1664 -20.1588 131.199 242.278 39.7712 -77.0953 70.1625 342.284 PRESSAVG: 1414600 -4.02682 -15.1836 -2.35774 -15.1836 32.4576 20.4926 -2.35776 20.4926 2.6166 GPRESSAVG: 1414600 -4.02465 -15.8307 -0.919348 -13.4557 33.1522 19.7894 -3.1627 20.3463 1.87756 TIMING: 1414600 CPU: 4471.91, 0.00318426/step Wall: 4471.91, 0.00318426/step, 3.17135 hours remaining, 235.472656 MB of memory in use. ENERGY: 1414600 4016.8474 20366.3650 14588.5185 235.8113 -203654.8805 2991.3339 0.0000 0.0000 51847.3433 -109608.6611 297.9674 -161456.0044 -109248.2841 298.4660 272.0054 300.0445 761870.1706 10.3491 10.3350 PRESSURE: 1414800 -16.5824 224.528 -202.574 224.528 -129.615 -39.3783 -202.575 -39.379 -1.85135 GPRESSURE: 1414800 -14.5181 170.051 -189.93 263.969 -65.0915 46.7189 -177.154 -9.6655 36.1344 PRESSAVG: 1414800 -13.2207 4.83632 -22.8338 4.83635 15.0788 26.5556 -22.8339 26.5556 -1.94386 GPRESSAVG: 1414800 -12.7585 4.81024 -24.0366 4.32566 13.1171 27.783 -24.7898 26.6223 -0.831166 TIMING: 1414800 CPU: 4472.54, 0.00317555/step Wall: 4472.54, 0.00317555/step, 3.16249 hours remaining, 235.472656 MB of memory in use. ENERGY: 1414800 3992.4213 20501.8764 14549.5075 263.3736 -203365.6911 2766.8020 0.0000 0.0000 51900.7805 -109390.9299 298.2745 -161291.7105 -109032.7602 298.2160 -49.3494 -14.4917 763808.8765 -0.0286 -0.1575 PRESSURE: 1415000 47.19 50.4657 9.86336 50.4659 320.67 180.901 9.86265 180.901 190.439 GPRESSURE: 1415000 4.896 -19.078 32.1051 -57.5217 423.984 183.641 -20.6344 234.755 216.852 PRESSAVG: 1415000 41.4808 -21.9523 35.1803 -21.9523 1.30049 28.4641 35.1802 28.4641 -7.59032 GPRESSAVG: 1415000 41.4887 -21.2511 34.9818 -23.2972 2.2181 27.0467 35.1793 29.5853 -8.64682 TIMING: 1415000 CPU: 4473.18, 0.00318061/step Wall: 4473.18, 0.00318061/step, 3.16736 hours remaining, 235.472656 MB of memory in use. ENERGY: 1415000 3953.5623 20587.3166 14566.8135 260.5229 -203778.8565 3144.5273 0.0000 0.0000 51927.6973 -109338.4165 298.4292 -161266.1138 -108975.1513 298.8283 186.0997 215.2441 762774.2042 11.7303 11.6867 PRESSURE: 1415200 50.5034 157.321 65.3659 157.321 61.5286 73.7922 65.3663 73.7917 275.178 GPRESSURE: 1415200 -6.28849 192.415 160.033 173.893 86.8045 106.051 53.3968 117.764 367.16 PRESSAVG: 1415200 -45.2237 -9.02099 -0.283603 -9.02089 44.0852 24.9048 -0.283573 24.9047 21.342 GPRESSAVG: 1415200 -44.9142 -9.51858 1.86916 -9.41805 42.9245 26.1058 1.31332 22.6889 22.2337 TIMING: 1415200 CPU: 4473.81, 0.00316761/step Wall: 4473.81, 0.00316761/step, 3.15424 hours remaining, 235.472656 MB of memory in use. ENERGY: 1415200 3938.4332 20498.8162 14621.7826 254.0266 -203728.5010 3005.0881 0.0000 0.0000 52122.5764 -109287.7779 299.5492 -161410.3544 -108914.9025 298.7673 129.0699 149.2253 762232.3777 6.7345 6.7480 PRESSURE: 1415400 154.181 -9.51594 -182.78 -9.51425 496.93 -37.6125 -182.781 -37.613 -112.216 GPRESSURE: 1415400 173.578 65.9133 -150.758 16.5009 478.362 -75.4402 -244.265 12.1741 -37.5897 PRESSAVG: 1415400 -12.2323 67.6997 32.7956 67.6998 29.5008 -4.23813 32.7956 -4.23811 8.38756 GPRESSAVG: 1415400 -12.0218 67.8609 29.4935 68.032 29.6315 -4.65593 32.0849 -2.46737 8.14937 TIMING: 1415400 CPU: 4474.45, 0.00317703/step Wall: 4474.45, 0.00317703/step, 3.16344 hours remaining, 235.472656 MB of memory in use. ENERGY: 1415400 3963.5852 20606.0419 14568.1548 251.8701 -203624.6627 2832.4369 0.0000 0.0000 52208.7738 -109193.8001 300.0445 -161402.5739 -108831.6825 299.2218 179.6319 204.7834 762481.9645 8.5520 8.5864 PRESSURE: 1415600 206.142 71.966 253.822 71.9659 -98.2871 -30.4552 253.822 -30.4552 73.9437 GPRESSURE: 1415600 141.866 74.1526 182.855 -15.4645 15.1121 -10.8197 258.516 -82.4344 115.984 PRESSAVG: 1415600 -53.4729 28.3589 15.4344 28.3589 -5.9304 -36.2098 15.4344 -36.2098 -25.7024 GPRESSAVG: 1415600 -54.0413 28.4458 16.3839 28.5119 -4.54333 -37.245 16.2958 -37.1289 -26.3111 TIMING: 1415600 CPU: 4475.09, 0.00320243/step Wall: 4475.09, 0.00320243/step, 3.18855 hours remaining, 235.472656 MB of memory in use. ENERGY: 1415600 4036.7930 20453.6885 14565.5897 237.7405 -203535.9322 2882.4400 0.0000 0.0000 52251.8098 -109107.8706 300.2919 -161359.6805 -108744.9327 299.7116 60.5997 90.9874 762380.9219 -28.3686 -28.2986 PRESSURE: 1415800 198.994 41.4972 17.0266 41.4979 202.632 138.221 17.0267 138.22 -188.564 GPRESSURE: 1415800 242.298 10.7614 -28.5679 157.96 153.8 62.3577 32.1859 107.848 -103.006 PRESSAVG: 1415800 -9.49628 -9.80895 -20.2354 -9.80899 -14.6314 -73.7463 -20.2354 -73.7462 -0.278097 GPRESSAVG: 1415800 -8.7789 -10.8418 -18.8859 -6.98035 -15.0776 -74.88 -20.7491 -71.7067 -0.787105 TIMING: 1415800 CPU: 4475.73, 0.00318078/step Wall: 4475.73, 0.00318078/step, 3.16682 hours remaining, 235.472656 MB of memory in use. ENERGY: 1415800 4039.3053 20590.2172 14570.4285 225.3363 -203581.9701 2953.2489 0.0000 0.0000 52083.3099 -109120.1240 299.3235 -161203.4339 -108763.4582 299.6805 71.0210 97.6972 762609.3465 -8.1352 -8.2145 PRESSURE: 1416000 -158.049 -2.32115 -112.871 -2.3209 196.391 163.922 -112.871 163.922 -217.635 GPRESSURE: 1416000 -84.9644 -7.15144 -144.85 -0.335046 193.08 120.08 25.0855 71.6491 -196.34 PRESSAVG: 1416000 -2.26071 27.0379 -30.8598 27.0379 28.7262 12.746 -30.8598 12.746 7.82305 GPRESSAVG: 1416000 -2.53538 27.4516 -31.7848 23.8459 28.5518 14.1189 -30.763 10.2476 8.66444 TIMING: 1416000 CPU: 4476.36, 0.00318831/step Wall: 4476.36, 0.00318831/step, 3.17414 hours remaining, 235.472656 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: 1416000 4003.7337 20459.8099 14569.9787 239.4662 -203317.7079 2730.4916 0.0000 0.0000 52094.4190 -109219.8088 299.3873 -161314.2278 -108846.3816 299.0701 -59.7645 -29.4081 762822.1005 11.4295 11.5603 PRESSURE: 1416200 -123.717 -185.958 305.953 -185.958 -25.8307 45.0223 305.953 45.022 494.248 GPRESSURE: 1416200 -118.701 -85.3065 294.328 -108.344 63.0689 61.5972 230.215 175.154 491.684 PRESSAVG: 1416200 46.1601 12.8669 -15.3803 12.8668 -97.3121 -41.7337 -15.3803 -41.7337 -15.3873 GPRESSAVG: 1416200 45.1131 14.2105 -15.2314 15.1024 -96.3373 -41.8035 -16.4584 -40.1313 -15.8875 TIMING: 1416200 CPU: 4477, 0.00318807/step Wall: 4477, 0.00318807/step, 3.17372 hours remaining, 235.472656 MB of memory in use. ENERGY: 1416200 3899.6371 20443.2668 14614.7992 251.2537 -202811.0126 2616.6064 0.0000 0.0000 51963.3139 -109022.1355 298.6339 -160985.4494 -108665.5765 299.2487 114.9002 145.3507 763692.9300 -22.1797 -22.3705 LDB: ============= START OF LOAD BALANCING ============== 4489.54 LDB: ============== END OF LOAD BALANCING =============== 4489.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4489.54 LDB: ============= START OF LOAD BALANCING ============== 4489.86 LDB: Largest compute 7060 load 0.031220 is 16.0% of average load 0.195419 LDB: Average compute 0.004391 is 2.2% of average load 0.195419 LDB: TIME 4489.86 LOAD: AVG 0.195419 MAX 0.215168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.418 MB LDB: TIME 4489.86 LOAD: AVG 0.195419 MAX 0.215168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: TIME 4489.86 LOAD: AVG 0.195419 MAX 0.215168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.625 MB LDB: ============== END OF LOAD BALANCING =============== 4489.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4489.87 PRESSURE: 1416400 168.668 -191.465 62.2156 -191.465 -244.916 -136.65 62.2161 -136.651 21.0625 GPRESSURE: 1416400 155.842 -140.525 21.9241 -220.34 -172.737 -51.0448 -74.9844 -32.9895 20.953 PRESSAVG: 1416400 37.938 -20.0474 -24.4061 -20.0474 -45.3094 -50.5317 -24.4061 -50.5317 7.97735 GPRESSAVG: 1416400 38.3291 -19.3342 -24.788 -20.5065 -46.0368 -51.3444 -24.8476 -51.4459 8.43292 TIMING: 1416400 CPU: 4477.65, 0.00326274/step Wall: 4477.65, 0.00326274/step, 3.24788 hours remaining, 233.960938 MB of memory in use. ENERGY: 1416400 3950.4601 20529.8624 14556.9932 267.0240 -203321.0766 2733.6495 0.0000 0.0000 52048.6673 -109234.4201 299.1244 -161283.0874 -108875.1542 299.4928 -18.3951 1.3529 763319.7667 0.2020 0.2417 PRESSURE: 1416600 -237.054 106.491 -128.996 106.49 -274.162 131.621 -128.996 131.621 263.417 GPRESSURE: 1416600 -205.539 91.3091 -141.284 99.4813 -206.959 118.629 -69.1906 238.933 245.458 PRESSAVG: 1416600 32.8011 -26.6337 -37.8285 -26.6337 -5.58672 -2.07057 -37.8285 -2.07055 -7.88007 GPRESSAVG: 1416600 33.1006 -28.2901 -38.1062 -27.2859 -5.48225 -3.0871 -36.8024 -0.593261 -8.6076 TIMING: 1416600 CPU: 4478.29, 0.00317864/step Wall: 4478.29, 0.00317864/step, 3.16399 hours remaining, 234.289062 MB of memory in use. ENERGY: 1416600 3912.4434 20497.4680 14549.5365 258.0085 -203080.1671 2369.0551 0.0000 0.0000 52264.1245 -109229.5310 300.3626 -161493.6556 -108861.6336 298.9241 -82.5996 -55.6800 762572.0157 6.4448 6.3369 PRESSURE: 1416800 183.532 -51.9219 -155.926 -51.9215 370.209 21.1461 -155.926 21.1451 12.3199 GPRESSURE: 1416800 177.41 -121.71 -207.649 -179.358 491.259 -14.9867 -141.318 66.798 -26.616 PRESSAVG: 1416800 -8.29355 -15.6779 14.9299 -15.6779 9.19325 25.7151 14.93 25.715 -27.5777 GPRESSAVG: 1416800 -9.95047 -16.3095 15.7635 -14.3225 10.529 27.0251 12.4023 24.4953 -27.2872 TIMING: 1416800 CPU: 4478.93, 0.0031973/step Wall: 4478.93, 0.0031973/step, 3.18238 hours remaining, 234.289062 MB of memory in use. ENERGY: 1416800 4080.5245 20428.7059 14588.7041 242.4724 -203245.1381 2764.0875 0.0000 0.0000 52046.0422 -109094.6016 299.1093 -161140.6438 -108737.1126 299.3059 188.6872 214.0176 762172.6041 -8.8927 -8.9029 PRESSURE: 1417000 22.4332 -81.3406 -274.356 -81.3406 144.024 -174.532 -274.356 -174.532 -73.6237 GPRESSURE: 1417000 66.377 -64.5861 -232.645 -70.9127 194.931 -65.4294 -155.967 -185.235 -86.9434 PRESSAVG: 1417000 -6.22199 -69.8322 -18.4387 -69.8322 -7.006 -26.6309 -18.4386 -26.631 -1.5179 GPRESSAVG: 1417000 -5.4718 -69.0017 -20.3624 -72.5092 -8.11696 -25.8509 -13.6684 -27.2544 -1.68713 TIMING: 1417000 CPU: 4479.57, 0.0032022/step Wall: 4479.57, 0.0032022/step, 3.18708 hours remaining, 234.289062 MB of memory in use. ENERGY: 1417000 3977.7235 20452.3898 14423.4369 263.1140 -203245.4574 2859.8911 0.0000 0.0000 52060.4999 -109208.4021 299.1924 -161268.9020 -108855.2169 299.0714 30.9444 58.1215 762929.7973 -4.9153 -5.0920 PRESSURE: 1417200 -156.461 -141.719 -47.8026 -141.719 1.98517 -80.8271 -47.8021 -80.8277 152.352 GPRESSURE: 1417200 -79.1336 -126.302 30.2334 -110.662 -4.04513 -106.944 -94.1538 10.6777 173.751 PRESSAVG: 1417200 -29.4825 16.4799 9.53906 16.4798 29.0614 -11.9766 9.53905 -11.9765 5.23312 GPRESSAVG: 1417200 -29.6007 19.3644 10.9397 16.9079 28.0848 -12.582 9.1056 -10.8278 5.88136 TIMING: 1417200 CPU: 4480.21, 0.00319158/step Wall: 4480.21, 0.00319158/step, 3.17633 hours remaining, 234.289062 MB of memory in use. ENERGY: 1417200 3908.7891 20564.5583 14472.3154 249.4534 -203294.9335 2768.9413 0.0000 0.0000 51902.3326 -109428.5433 298.2834 -161330.8759 -109063.2034 298.5917 -0.7078 30.1908 764681.9359 1.6040 1.4552 PRESSURE: 1417400 61.3442 58.0597 170.363 58.0593 90.3621 -108.049 170.362 -108.049 18.7081 GPRESSURE: 1417400 169.278 -34.2954 95.7254 -3.88228 93.5109 -106.866 81.9544 -123.843 -8.37096 PRESSAVG: 1417400 -40.7867 3.77052 14.2156 3.77057 17.2751 -33.1669 14.2155 -33.167 0.0965761 GPRESSAVG: 1417400 -40.3688 0.58889 13.69 3.95482 18.3879 -34.6913 12.4452 -33.231 -1.63507 TIMING: 1417400 CPU: 4480.84, 0.00316758/step Wall: 4480.84, 0.00316758/step, 3.15227 hours remaining, 234.289062 MB of memory in use. ENERGY: 1417400 4018.4298 20463.1611 14494.9837 240.2235 -203225.4443 2792.2447 0.0000 0.0000 51914.3335 -109302.0680 298.3524 -161216.4015 -108936.1296 298.7559 56.8048 84.8058 765127.5532 -7.8050 -7.8720 PRESSURE: 1417600 -320.073 15.3785 250.267 15.3782 -12.394 -98.0505 250.268 -98.0513 180.084 GPRESSURE: 1417600 -263.158 234.303 194.321 66.2207 9.37062 26.4856 287.986 -178.484 155.818 PRESSAVG: 1417600 -20.5774 -35.7573 14.459 -35.7574 7.01682 -9.82755 14.459 -9.8275 17.6499 GPRESSAVG: 1417600 -21.6766 -33.4647 16.4582 -35.4997 6.67436 -8.94719 13.4232 -10.0826 18.9009 TIMING: 1417600 CPU: 4481.48, 0.00319839/step Wall: 4481.48, 0.00319839/step, 3.18275 hours remaining, 234.289062 MB of memory in use. ENERGY: 1417600 4014.2494 20547.2823 14485.7187 252.9458 -203269.5436 2798.6753 0.0000 0.0000 51874.7332 -109295.9389 298.1248 -161170.6721 -108932.1203 298.7999 -50.7944 -32.6567 764087.7220 1.3631 1.2995 PRESSURE: 1417800 358.508 -30.6162 -386.874 -30.6163 212.754 149.204 -386.873 149.203 233.264 GPRESSURE: 1417800 384.105 -109.928 -395.731 -22.9512 346.923 90.4228 -443.893 78.06 169.29 PRESSAVG: 1417800 -21.3011 35.3388 -19.5166 35.3388 38.4355 -28.5272 -19.5166 -28.5271 -5.35752 GPRESSAVG: 1417800 -19.9425 34.3141 -20.5209 35.3021 38.4247 -27.7266 -16.3801 -30.3179 -6.9185 TIMING: 1417800 CPU: 4482.12, 0.00319754/step Wall: 4482.12, 0.00319754/step, 3.18173 hours remaining, 234.289062 MB of memory in use. ENERGY: 1417800 3950.6764 20513.0553 14378.7510 251.0132 -203518.9185 2969.6038 0.0000 0.0000 51868.4795 -109587.3394 298.0889 -161455.8189 -109222.7781 298.1856 268.1752 300.1062 761044.8191 3.9256 3.8546 PRESSURE: 1418000 -199.254 -184.112 -227.739 -184.112 -210.833 10.0146 -227.739 10.0137 -230.15 GPRESSURE: 1418000 -172.261 -216.206 -198.898 -114.858 -160.255 -98.2726 -156.945 153.684 -222.262 PRESSAVG: 1418000 15.0541 -4.20572 -21.5865 -4.20574 -17.9767 -18.3485 -21.5865 -18.3485 -17.4901 GPRESSAVG: 1418000 15.9335 -4.67986 -22.4293 -6.25063 -19.232 -19.9335 -23.4273 -17.5911 -17.4121 TIMING: 1418000 CPU: 4482.75, 0.0031691/step Wall: 4482.75, 0.0031691/step, 3.15326 hours remaining, 234.289062 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: 1418000 3943.5015 20391.7466 14473.4839 260.6090 -203386.8329 2616.5555 0.0000 0.0000 52327.0001 -109373.9363 300.7240 -161700.9364 -109002.1750 298.4290 -213.4125 -184.9260 762491.3342 -6.8042 -6.9035 PRESSURE: 1418200 62.5886 49.7253 56.1104 49.7252 -262.415 224.626 56.1105 224.626 -110.915 GPRESSURE: 1418200 16.6763 94.3055 27.0742 -18.8753 -186.466 164.449 76.405 327.074 -66.6003 PRESSAVG: 1418200 -8.61312 8.00414 -43.5495 8.00413 1.54387 -13.3706 -43.5496 -13.3705 31.9165 GPRESSAVG: 1418200 -10.7744 5.92863 -42.3363 10.1026 2.70277 -11.3834 -44.8987 -10.891 32.7751 TIMING: 1418200 CPU: 4483.39, 0.00315194/step Wall: 4483.39, 0.00315194/step, 3.136 hours remaining, 234.289062 MB of memory in use. ENERGY: 1418200 4034.2714 20400.0055 14515.3480 258.3304 -203613.2036 2883.4696 0.0000 0.0000 52262.6019 -109259.1769 300.3539 -161521.7788 -108895.2415 299.1577 -103.5804 -78.7967 761782.4997 8.2824 8.2345 PRESSURE: 1418400 -43.3413 34.4631 -119.027 34.4633 -66.7535 -21.7821 -119.027 -21.7824 -20.6387 GPRESSURE: 1418400 31.8546 -15.7375 -74.8004 -10.3816 -62.2479 -17.875 -92.3534 38.7563 -20.2336 PRESSAVG: 1418400 -2.79207 14.7247 4.6145 14.7246 -5.35781 29.7634 4.61453 29.7635 20.6183 GPRESSAVG: 1418400 -1.34639 18.1117 5.50986 12.9663 -5.96883 29.7198 6.0555 29.1573 20.258 TIMING: 1418400 CPU: 4484.02, 0.00319/step Wall: 4484.02, 0.00319/step, 3.1737 hours remaining, 234.289062 MB of memory in use. ENERGY: 1418400 4046.5380 20514.9632 14507.9944 244.0934 -203121.1931 2501.2609 0.0000 0.0000 51941.5194 -109364.8240 298.5086 -161306.3433 -108996.0052 299.6512 -43.5779 -16.8756 762688.8825 4.1561 4.3143 PRESSURE: 1418600 -311.632 89.8018 -56.6693 89.8022 14.5168 -23.2764 -56.6692 -23.276 274.565 GPRESSURE: 1418600 -312.397 113.174 -64.6863 67.0085 156.751 -66.2255 -9.76745 6.17451 230.843 PRESSAVG: 1418600 20.2883 30.5201 -39.4255 30.5201 65.8697 18.1262 -39.4255 18.1261 -4.61184 GPRESSAVG: 1418600 20.7043 29.376 -39.8618 30.8863 65.8847 17.6012 -39.7036 18.4906 -4.77383 TIMING: 1418600 CPU: 4484.66, 0.00317025/step Wall: 4484.66, 0.00317025/step, 3.15387 hours remaining, 234.289062 MB of memory in use. ENERGY: 1418600 3918.5715 20351.1724 14483.9975 261.6147 -203104.9496 2758.6369 0.0000 0.0000 52148.9080 -109182.0484 299.7005 -161330.9565 -108811.5756 299.1651 -7.5168 25.0656 763890.9385 27.1821 27.2717 PRESSURE: 1418800 -102.453 94.0349 43.7632 94.0345 -132.605 -86.509 43.7626 -86.5089 -38.1815 GPRESSURE: 1418800 -134.966 96.677 19.1162 56.3375 -75.4587 -116.814 39.5586 -55.4165 11.8147 PRESSAVG: 1418800 26.2111 57.2769 -58.3732 57.2769 -14.7021 25.8727 -58.3733 25.8729 7.14169 GPRESSAVG: 1418800 25.5352 55.537 -57.9094 57.7626 -13.2034 26.6309 -58.7248 24.7617 6.77266 TIMING: 1418800 CPU: 4485.29, 0.00316784/step Wall: 4485.29, 0.00316784/step, 3.1513 hours remaining, 234.289062 MB of memory in use. ENERGY: 1418800 4044.3013 20521.5181 14481.9100 242.2676 -203005.9070 2799.2557 0.0000 0.0000 51871.8288 -109044.8255 298.1081 -160916.6543 -108685.5387 299.3573 -91.0798 -66.2034 765151.6280 6.2169 6.3681 PRESSURE: 1419000 8.76772 -28.7078 -48.5187 -28.7079 -99.9004 68.6404 -48.5186 68.6398 79.8262 GPRESSURE: 1419000 21.1072 -65.1818 -122.027 -100.619 -3.58684 -9.29795 -77.3752 -20.3723 78.3747 PRESSAVG: 1419000 20.7709 28.8463 -32.4878 28.8462 10.8457 -8.50844 -32.4877 -8.50844 -4.13719 GPRESSAVG: 1419000 21.1835 30.5352 -33.0801 28.4582 10.3856 -8.72204 -32.4823 -9.91469 -3.8835 TIMING: 1419000 CPU: 4485.92, 0.00315032/step Wall: 4485.92, 0.00315032/step, 3.13369 hours remaining, 234.289062 MB of memory in use. ENERGY: 1419000 4031.4986 20445.7139 14529.8054 254.1098 -202993.6630 2763.5379 0.0000 0.0000 52189.7092 -108779.2881 299.9350 -160968.9973 -108421.5977 299.4513 -3.7688 31.9650 764292.1284 9.1598 9.2285 PRESSURE: 1419200 -197.215 -16.461 -183.656 -16.4617 -74.5389 -262.525 -183.656 -262.525 232.162 GPRESSURE: 1419200 -127.369 -19.0543 -223.342 149.227 -36.7633 -352.017 -234.503 -48.5041 204.466 PRESSAVG: 1419200 -51.3039 15.1932 -69.5687 15.1931 10.4669 -14.8587 -69.5686 -14.8586 20.9555 GPRESSAVG: 1419200 -50.9224 15.5365 -68.2889 17.1368 10.0574 -15.6055 -70.1803 -13.1411 20.2003 TIMING: 1419200 CPU: 4486.55, 0.00314767/step Wall: 4486.55, 0.00314767/step, 3.13088 hours remaining, 234.289062 MB of memory in use. ENERGY: 1419200 4008.9921 20441.5196 14593.8585 231.1554 -202420.2099 2404.9318 0.0000 0.0000 52115.3586 -108624.3941 299.5077 -160739.7526 -108265.0186 299.8656 -13.1972 13.4445 765868.2904 -6.6272 -6.8883 PRESSURE: 1419400 156.312 51.4118 -184.58 51.4117 -247.574 -107.221 -184.579 -107.221 264.984 GPRESSURE: 1419400 198.331 164.872 -101.471 -0.201672 -222.918 -170.468 -73.6198 -81.1086 276.3 PRESSAVG: 1419400 -66.4256 48.2978 -12.2049 48.2978 20.7196 -45.9857 -12.205 -45.9857 2.40236 GPRESSAVG: 1419400 -67.564 46.5525 -12.2865 47.2526 21.0412 -46.8893 -12.4379 -45.1524 3.09985 TIMING: 1419400 CPU: 4487.18, 0.00316213/step Wall: 4487.18, 0.00316213/step, 3.14509 hours remaining, 234.289062 MB of memory in use. ENERGY: 1419400 3895.1435 20643.4675 14533.5419 229.8698 -203046.4825 2787.9477 0.0000 0.0000 52219.3107 -108737.2014 300.1051 -160956.5122 -108388.6374 299.7583 57.9072 83.9046 764228.6043 -14.4346 -14.4743 PRESSURE: 1419600 55.2525 -131.523 -31.6314 -131.522 30.2635 -2.06425 -31.63 -2.06514 -114.191 GPRESSURE: 1419600 19.6308 -86.229 -50.1632 -139.837 99.3439 36.9746 -9.8835 -140.313 -78.6631 PRESSAVG: 1419600 11.5736 17.4904 -45.0798 17.4904 -35.487 -20.0751 -45.0797 -20.0752 -1.81755 GPRESSAVG: 1419600 10.893 17.8816 -44.8174 18.6431 -35.4119 -18.6735 -44.2791 -19.0331 -1.03738 TIMING: 1419600 CPU: 4487.81, 0.00315349/step Wall: 4487.81, 0.00315349/step, 3.13632 hours remaining, 234.289062 MB of memory in use. ENERGY: 1419600 4044.3525 20400.8935 14535.8282 270.3676 -203272.1126 2847.5344 0.0000 0.0000 52182.4645 -108990.6719 299.8933 -161173.1364 -108624.7523 300.0120 -9.5585 13.4372 763473.3081 -8.5770 -8.5187 PRESSURE: 1419800 74.774 -115.342 51.466 -115.341 145.542 3.33715 51.4662 3.33717 350.997 GPRESSURE: 1419800 58.1625 -133.807 177.457 -54.1578 158.761 61.7853 113.73 -41.458 437.008 PRESSAVG: 1419800 53.5703 3.18236 -53.3866 3.18236 -79.516 -42.8995 -53.3866 -42.8994 2.69379 GPRESSAVG: 1419800 53.5046 4.81843 -53.8277 1.80584 -79.2115 -42.6447 -53.4883 -45.277 2.50558 TIMING: 1419800 CPU: 4488.44, 0.00314725/step Wall: 4488.44, 0.00314725/step, 3.12994 hours remaining, 234.289062 MB of memory in use. ENERGY: 1419800 3987.1912 20444.9573 14480.5300 246.8573 -203326.7143 2854.9513 0.0000 0.0000 52270.4269 -109041.8003 300.3989 -161312.2272 -108682.1400 299.6957 190.4376 217.9771 763993.2201 -7.7506 -7.7338 PRESSURE: 1420000 -163.048 4.21212 39.62 4.21192 -143.418 117.84 39.6196 117.84 -284.637 GPRESSURE: 1420000 -46.1135 -21.2129 54.609 -80.6142 -141.742 161.999 62.8284 60.2634 -312.649 PRESSAVG: 1420000 34.1722 -0.413656 -11.6147 -0.413638 -18.4717 6.84112 -11.6147 6.84116 -18.3509 GPRESSAVG: 1420000 35.1317 -0.216904 -13.0262 0.260364 -18.9526 7.1569 -10.9627 7.83628 -18.752 TIMING: 1420000 CPU: 4489.07, 0.0031344/step Wall: 4489.07, 0.0031344/step, 3.11699 hours remaining, 234.289062 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: 1420000 4013.6317 20444.5020 14447.8987 234.6276 -203033.4261 2479.7097 0.0000 0.0000 52115.3604 -109297.6961 299.5077 -161413.0564 -108931.8208 299.4365 -197.0342 -166.8346 764444.8911 -0.8834 -0.8576 PRESSURE: 1420200 216.362 -155.18 57.0152 -155.18 159.947 37.7605 57.0153 37.7609 446.431 GPRESSURE: 1420200 297.085 -110.96 49.5048 -118.221 241.811 42.1739 190.096 14.5772 384.611 PRESSAVG: 1420200 29.3056 -28.0376 -23.9349 -28.0376 -22.4961 27.9231 -23.9349 27.9231 14.1134 GPRESSAVG: 1420200 29.4749 -29.5212 -22.0706 -27.0346 -23.0084 27.5419 -22.2872 25.7082 14.0976 TIMING: 1420200 CPU: 4489.7, 0.00313602/step Wall: 4489.7, 0.00313602/step, 3.11842 hours remaining, 234.289062 MB of memory in use. ENERGY: 1420200 3969.3660 20545.6777 14474.8027 223.3352 -203372.9895 3139.7307 0.0000 0.0000 51853.1373 -109166.9399 298.0007 -161020.0772 -108819.1440 298.9575 274.2467 307.8359 764235.5125 6.9743 6.8547 LDB: ============= START OF LOAD BALANCING ============== 4502.23 LDB: ============== END OF LOAD BALANCING =============== 4502.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4502.23 LDB: ============= START OF LOAD BALANCING ============== 4502.54 LDB: Largest compute 7042 load 0.031355 is 16.0% of average load 0.195504 LDB: Average compute 0.004369 is 2.2% of average load 0.195504 LDB: TIME 4502.55 LOAD: AVG 0.195504 MAX 0.213723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.988 MB LDB: TIME 4502.55 LOAD: AVG 0.195504 MAX 0.213723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: TIME 4502.55 LOAD: AVG 0.195504 MAX 0.213723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: ============== END OF LOAD BALANCING =============== 4502.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4502.56 PRESSURE: 1420400 255.527 136.587 -114.805 136.587 387.762 31.5575 -114.806 31.557 -85.1097 GPRESSURE: 1420400 166.681 67.0194 -128.755 170.845 452.132 -13.8226 -206.523 -49.7068 31.5315 PRESSAVG: 1420400 -17.3651 -22.1075 -0.21647 -22.1075 19.8425 15.5954 -0.216471 15.5953 14.6427 GPRESSAVG: 1420400 -18.044 -21.1083 -0.604213 -23.2974 19.9359 15.159 -0.53216 18.0347 14.5336 TIMING: 1420400 CPU: 4490.34, 0.00320719/step Wall: 4490.34, 0.00320719/step, 3.18901 hours remaining, 234.332031 MB of memory in use. ENERGY: 1420400 3901.7588 20512.0566 14501.0975 240.7310 -202976.3840 2681.4722 0.0000 0.0000 52039.7676 -109099.5003 299.0733 -161139.2679 -108742.8389 299.2939 186.0596 216.7813 762398.2792 5.7067 5.4752 PRESSURE: 1420600 250.926 2.07901 -194.071 2.07731 -202.658 80.8815 -194.07 80.8817 317.847 GPRESSURE: 1420600 144.762 -40.399 -185.393 -88.6176 -72.6789 80.1613 -228.823 111.725 383.066 PRESSAVG: 1420600 5.23129 12.0268 17.5758 12.0268 21.3632 -4.58648 17.5758 -4.58649 -10.0788 GPRESSAVG: 1420600 3.6335 11.4485 17.9534 11.1167 22.5541 -4.56417 15.9767 -5.49323 -9.6178 TIMING: 1420600 CPU: 4490.97, 0.00315248/step Wall: 4490.97, 0.00315248/step, 3.13444 hours remaining, 234.535156 MB of memory in use. ENERGY: 1420600 3909.6595 20281.3371 14508.0111 230.6292 -203374.7646 2844.6112 0.0000 0.0000 52431.6809 -109168.8357 301.3256 -161600.5166 -108803.2513 299.5711 122.0384 151.7164 761688.5325 5.5052 5.5233 PRESSURE: 1420800 -278.356 -74.4479 41.9761 -74.4483 -245.208 -95.0402 41.9759 -95.0399 -92.7321 GPRESSURE: 1420800 -243.305 -2.82471 8.40077 -53.1302 -150.989 -69.2161 62.9187 -120.472 -151.057 PRESSAVG: 1420800 -0.303391 30.7615 21.0528 30.7615 9.34963 7.78897 21.0528 7.78906 37.2197 GPRESSAVG: 1420800 1.31877 31.7932 19.3092 30.9931 8.36255 9.29562 21.897 9.18761 36.4285 TIMING: 1420800 CPU: 4491.6, 0.00314265/step Wall: 4491.6, 0.00314266/step, 3.1245 hours remaining, 234.535156 MB of memory in use. ENERGY: 1420800 4030.4685 20439.7587 14462.9168 229.9859 -203069.5022 2616.2493 0.0000 0.0000 52226.6884 -109063.4346 300.1475 -161290.1230 -108705.2073 299.6625 -205.4319 -181.7836 761552.7266 15.4220 15.3699 PRESSURE: 1421000 -144.375 139.799 -76.4128 139.799 81.7037 41.1459 -76.4131 41.1458 -134.438 GPRESSURE: 1421000 -26.8316 88.2245 -19.7787 127.447 36.1381 88.9043 -160.385 101.129 -101.696 PRESSAVG: 1421000 -50.3417 43.3776 -4.05 43.3777 51.7858 -12.6516 -4.04998 -12.6516 -11.8869 GPRESSAVG: 1421000 -49.1473 41.5303 -3.66223 43.013 50.58 -13.6188 -2.92387 -15.25 -12.3215 TIMING: 1421000 CPU: 4492.23, 0.00315739/step Wall: 4492.23, 0.00315739/step, 3.13897 hours remaining, 234.535156 MB of memory in use. ENERGY: 1421000 4008.8133 20389.5125 14501.8143 244.8128 -203196.5584 2753.3626 0.0000 0.0000 52201.3910 -109096.8518 300.0021 -161298.2429 -108742.9966 299.4354 -65.7030 -30.7965 762718.6624 -3.4809 -3.6296 PRESSURE: 1421200 18.1895 -28.8665 116.352 -28.8678 199.061 65.1773 116.353 65.1765 179.793 GPRESSURE: 1421200 40.3778 -128.753 167.025 6.25608 249.638 224.096 193.538 -98.3967 194.607 PRESSAVG: 1421200 16.8508 -13.8471 4.17269 -13.847 -3.83373 -19.5795 4.17265 -19.5796 -6.05166 GPRESSAVG: 1421200 16.6202 -14.8774 4.65052 -13.3682 -3.97399 -17.3109 4.223 -19.9794 -5.69186 TIMING: 1421200 CPU: 4492.86, 0.00315984/step Wall: 4492.86, 0.00315984/step, 3.14123 hours remaining, 234.535156 MB of memory in use. ENERGY: 1421200 3967.8924 20385.2067 14456.9206 238.4703 -203067.4081 2705.9532 0.0000 0.0000 52083.5068 -109229.4582 299.3246 -161312.9649 -108872.2062 299.1222 132.3479 161.5408 761863.8805 2.3218 2.3181 PRESSURE: 1421400 -179.136 67.7829 138.214 67.7833 -172.713 68.0587 138.215 68.058 -272.586 GPRESSURE: 1421400 -91.617 77.4283 117.855 125.831 -133.711 57.9146 78.9693 110.261 -295.749 PRESSAVG: 1421400 -28.7895 29.7965 10.6148 29.7965 -20.1136 39.5063 10.6147 39.5063 -30.7991 GPRESSAVG: 1421400 -29.9754 31.2135 11.7336 30.9965 -18.6427 37.7449 8.72162 40.502 -31.0977 TIMING: 1421400 CPU: 4493.49, 0.00315848/step Wall: 4493.49, 0.00315848/step, 3.13971 hours remaining, 234.535156 MB of memory in use. ENERGY: 1421400 4037.5696 20296.3993 14538.1790 248.0007 -203190.6359 2778.5482 0.0000 0.0000 52003.1979 -109288.7412 298.8631 -161291.9391 -108936.3419 298.9791 -208.1451 -173.6921 762596.9978 -26.5674 -26.5719 PRESSURE: 1421600 -169.084 127.602 -225.17 127.602 188.038 -16.3693 -225.17 -16.3694 500.915 GPRESSURE: 1421600 -108.62 168.329 -113.662 46.1283 255.094 -2.01247 -219.474 -25.9648 449.303 PRESSAVG: 1421600 -57.6921 13.8635 -23.0788 13.8635 50.6172 56.0618 -23.0788 56.0618 16.8518 GPRESSAVG: 1421600 -57.4544 13.6343 -23.617 12.3492 51.0765 56.0853 -21.2417 58.664 16.4397 TIMING: 1421600 CPU: 4494.12, 0.00314831/step Wall: 4494.12, 0.00314831/step, 3.12942 hours remaining, 234.535156 MB of memory in use. ENERGY: 1421600 4008.9336 20323.2559 14569.3333 236.4134 -203387.1340 3020.4162 0.0000 0.0000 51784.0572 -109444.7244 297.6037 -161228.7816 -109090.0775 298.6097 173.2892 198.5923 762017.1056 3.2590 3.3540 PRESSURE: 1421800 -84.9808 50.6985 -417.766 50.6989 41.0503 301.398 -417.765 301.398 213.806 GPRESSURE: 1421800 -75.7429 97.3985 -338.566 -121.972 96.771 305.677 -424.557 277.606 228.281 PRESSAVG: 1421800 46.9745 27.0935 -13.2516 27.0935 -12.9517 56.7645 -13.2517 56.7645 7.82876 GPRESSAVG: 1421800 46.9126 26.6522 -14.1287 26.4816 -14.634 56.0554 -17.2815 55.0912 9.12015 TIMING: 1421800 CPU: 4494.75, 0.0031457/step Wall: 4494.75, 0.0031457/step, 3.12665 hours remaining, 234.535156 MB of memory in use. ENERGY: 1421800 3961.4029 20430.4285 14481.1928 255.5226 -203082.8686 2549.9459 0.0000 0.0000 52199.3306 -109205.0453 299.9903 -161404.3759 -108850.2337 298.9686 56.6252 83.1031 761981.0613 13.9505 13.7996 PRESSURE: 1422000 428.488 137.374 249.471 137.374 131.744 160.98 249.472 160.981 151.365 GPRESSURE: 1422000 413.688 84.2887 279.58 5.11157 215.983 103.193 200.723 310.667 186.783 PRESSAVG: 1422000 -27.9692 -9.52558 -31.9607 -9.52558 30.0816 -10.6737 -31.9608 -10.6737 3.33065 GPRESSAVG: 1422000 -28.6202 -8.29472 -31.7906 -10.7291 31.8266 -8.83176 -29.3483 -11.4512 2.02128 TIMING: 1422000 CPU: 4495.39, 0.00317402/step Wall: 4495.39, 0.00317402/step, 3.15462 hours remaining, 234.535156 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: 1422000 3957.7845 20439.8029 14491.1690 261.2463 -203454.2107 2945.4820 0.0000 0.0000 52292.1272 -109066.5989 300.5236 -161358.7261 -108708.2944 299.8042 237.1989 272.1513 762211.0422 1.8144 1.7426 PRESSURE: 1422200 143.273 96.8894 110.378 96.8897 -407.908 -87.6458 110.377 -87.6449 209.896 GPRESSURE: 1422200 202.014 -25.6771 46.1688 93.0275 -342.747 -54.6809 166.673 -111.778 170.169 PRESSAVG: 1422200 79.2754 14.8208 -36.4005 14.8209 -52.5072 3.29323 -36.4005 3.29325 27.7712 GPRESSAVG: 1422200 80.0227 14.0262 -35.1069 15.4391 -54.2819 3.50033 -38.2488 4.32675 28.5979 TIMING: 1422200 CPU: 4496.02, 0.00316718/step Wall: 4496.02, 0.00316718/step, 3.14765 hours remaining, 234.535156 MB of memory in use. ENERGY: 1422200 4085.8813 20487.0934 14522.4045 243.7088 -203328.8722 2802.2459 0.0000 0.0000 52123.6525 -109063.8858 299.5553 -161187.5384 -108710.1617 299.7669 -18.2465 9.8120 762014.8261 18.1798 18.1129 PRESSURE: 1422400 7.91101 80.2028 29.4411 80.2025 74.119 -92.8574 29.441 -92.8586 305.633 GPRESSURE: 1422400 -39.9775 -1.78366 -41.4205 138.121 196.025 -78.1086 186.665 -123.569 320.644 PRESSAVG: 1422400 -76.1029 12.2848 20.3878 12.2848 71.656 12.898 20.3878 12.898 -0.653381 GPRESSAVG: 1422400 -76.9273 12.9764 20.6687 13.4498 72.9285 11.8478 23.5377 12.7495 -0.909168 TIMING: 1422400 CPU: 4496.65, 0.00316495/step Wall: 4496.65, 0.00316495/step, 3.14525 hours remaining, 234.535156 MB of memory in use. ENERGY: 1422400 3888.9568 20405.9476 14527.7029 230.6111 -203039.1440 2701.5917 0.0000 0.0000 52018.3729 -109265.9611 298.9503 -161284.3340 -108902.5108 299.3672 129.2209 158.8970 762004.7045 -1.7001 -1.6360 PRESSURE: 1422600 -428.223 -90.9341 97.2073 -90.9349 -39.999 85.3427 97.2067 85.3433 -150.24 GPRESSURE: 1422600 -302.151 -62.0246 52.2783 -165.08 -61.7933 37.597 12.3895 42.4925 -162.768 PRESSAVG: 1422600 14.7365 27.8753 14.5045 27.8753 -13.3723 37.9203 14.5044 37.9203 1.45474 GPRESSAVG: 1422600 16.5065 25.7271 13.2342 28.4846 -15.0935 40.1007 12.7311 36.6956 0.94589 TIMING: 1422600 CPU: 4497.28, 0.00314173/step Wall: 4497.28, 0.00314173/step, 3.12201 hours remaining, 234.535156 MB of memory in use. ENERGY: 1422600 3976.7711 20327.3698 14548.3543 253.4016 -203465.7179 2682.3792 0.0000 0.0000 52393.4423 -109283.9996 301.1058 -161677.4419 -108915.0209 298.7367 -206.1540 -175.5707 763280.9143 0.9396 0.7863 PRESSURE: 1422800 -184.617 5.81858 -10.2829 5.81866 -109.069 -182.443 -10.2826 -182.444 28.9588 GPRESSURE: 1422800 -175.962 33.9027 -60.1246 -1.959 -26.5924 -209.912 24.6383 -205.794 25.1284 PRESSAVG: 1422800 -18.2854 9.53752 0.845698 9.5375 17.8036 64.1836 0.845681 64.1836 -7.99315 GPRESSAVG: 1422800 -20.0053 10.2497 -0.208572 11.1712 19.7307 63.0188 0.101347 64.8492 -8.13578 TIMING: 1422800 CPU: 4497.91, 0.00315779/step Wall: 4497.91, 0.00315779/step, 3.1378 hours remaining, 234.535156 MB of memory in use. ENERGY: 1422800 3961.8030 20516.2223 14522.2752 257.4891 -203311.4701 2834.0158 0.0000 0.0000 51987.6190 -109232.0457 298.7736 -161219.6647 -108876.6009 298.8467 -88.2423 -59.1420 762681.9628 -2.8250 -2.8035 PRESSURE: 1423000 -354.047 -99.6827 -83.7292 -99.6828 102.971 159.292 -83.73 159.292 215.254 GPRESSURE: 1423000 -272.63 7.20855 -69.369 -97.0148 145.998 159.3 15.4567 210.997 180.245 PRESSAVG: 1423000 -30.8804 30.1088 -16.7292 30.1088 6.3246 -42.6591 -16.7292 -42.6591 -21.2955 GPRESSAVG: 1423000 -28.7785 31.9698 -15.7774 30.0568 5.34647 -43.0333 -14.7369 -43.6146 -21.641 TIMING: 1423000 CPU: 4498.55, 0.00316365/step Wall: 4498.55, 0.00316365/step, 3.14344 hours remaining, 234.535156 MB of memory in use. ENERGY: 1423000 4035.8868 20514.7640 14550.2039 229.9356 -203324.4217 2724.4674 0.0000 0.0000 51979.5771 -109289.5869 298.7273 -161269.1640 -108923.4569 299.2080 -11.9406 17.8708 764655.0770 -15.2838 -15.0243 PRESSURE: 1423200 -149.659 -90.027 -77.6108 -90.0268 50.1314 -10.3073 -77.6109 -10.3072 311.377 GPRESSURE: 1423200 -22.1935 -156.081 55.0378 -14.2542 89.9148 51.1234 -165.484 98.7868 243.744 PRESSAVG: 1423200 11.4529 7.23657 38.6132 7.23654 39.8577 25.7971 38.6132 25.7971 3.93248 GPRESSAVG: 1423200 10.3779 6.58804 38.6337 3.81824 39.6761 27.468 35.8835 28.1763 4.35563 TIMING: 1423200 CPU: 4499.18, 0.00315693/step Wall: 4499.18, 0.00315693/step, 3.13659 hours remaining, 234.535156 MB of memory in use. ENERGY: 1423200 3992.7711 20464.6548 14467.9556 262.1255 -203316.0636 2604.7724 0.0000 0.0000 51911.0329 -109612.7513 298.3334 -161523.7842 -109247.6311 298.9188 70.6163 103.8217 761999.9252 18.4143 18.1365 PRESSURE: 1423400 147.99 41.9785 37.746 41.9791 -30.0704 136.662 37.7462 136.661 -51.2151 GPRESSURE: 1423400 193.224 -19.3732 21.0302 26.6452 -1.57867 108.441 103.19 111.807 -22.2213 PRESSAVG: 1423400 -18.6793 21.5274 -7.52942 21.5274 19.459 -3.43129 -7.52939 -3.43136 -17.4104 GPRESSAVG: 1423400 -17.9339 21.3935 -8.22995 21.0102 19.3138 -4.76891 -6.18214 -3.31976 -17.4982 TIMING: 1423400 CPU: 4499.81, 0.00318569/step Wall: 4499.81, 0.00318569/step, 3.16498 hours remaining, 234.535156 MB of memory in use. ENERGY: 1423400 4011.1552 20396.0513 14588.3206 232.0003 -203710.1077 2901.5640 0.0000 0.0000 51893.4477 -109687.5685 298.2324 -161581.0162 -109335.3569 298.4599 22.2350 56.4746 759099.4101 -5.5436 -5.3728 PRESSURE: 1423600 -171.834 134.013 -103.371 134.013 4.48452 -5.45981 -103.37 -5.45917 190.346 GPRESSURE: 1423600 -142.91 260.076 -49.5843 82.7758 40.5435 13.6512 -39.6512 -23.4198 235.943 PRESSAVG: 1423600 0.691837 -25.4398 17.6396 -25.4398 49.8751 21.2242 17.6397 21.2241 -3.17958 GPRESSAVG: 1423600 -0.662567 -25.4562 17.7836 -22.3972 49.9584 22.1363 18.7799 19.2952 -1.96407 TIMING: 1423600 CPU: 4500.45, 0.00317683/step Wall: 4500.45, 0.00317683/step, 3.156 hours remaining, 234.535156 MB of memory in use. ENERGY: 1423600 3951.4247 20463.8449 14471.4260 249.4147 -203678.1080 2864.3835 0.0000 0.0000 51837.0756 -109840.5387 297.9084 -161677.6143 -109484.7320 298.2850 7.6656 44.5256 762959.9547 15.7958 15.7773 PRESSURE: 1423800 -114.523 -12.3525 42.3015 -12.3525 52.5537 67.3403 42.3013 67.3404 104.003 GPRESSURE: 1423800 -52.059 -31.2123 15.7275 -79.0537 51.4659 93.9311 -55.5428 17.817 106.595 PRESSAVG: 1423800 -43.385 22.5556 67.1269 22.5556 24.6204 11.0387 67.1269 11.0387 -8.53282 GPRESSAVG: 1423800 -42.012 21.6851 67.7798 22.2669 24.7067 10.4712 67.4955 8.90594 -9.75021 TIMING: 1423800 CPU: 4501.09, 0.00319534/step Wall: 4501.09, 0.00319534/step, 3.17421 hours remaining, 234.535156 MB of memory in use. ENERGY: 1423800 3892.0964 20524.8153 14493.6853 235.0160 -203428.4538 2422.1992 0.0000 0.0000 51918.8030 -109941.8386 298.3781 -161860.6416 -109585.5604 297.9733 14.0114 35.3341 762643.8077 -9.0991 -9.0185 PRESSURE: 1424000 -241.518 137.89 176.033 137.89 -82.5133 6.46738 176.034 6.46602 36.5448 GPRESSURE: 1424000 -238.799 168.533 155.516 147.074 3.28246 47.5685 169.195 39.4039 24.5514 PRESSAVG: 1424000 -24.824 17.5225 65.4238 17.5225 36.7952 44.2628 65.4239 44.2627 -36.6555 GPRESSAVG: 1424000 -25.5559 16.2687 66.3893 18.3099 37.6411 43.2913 63.9593 48.063 -36.729 TIMING: 1424000 CPU: 4501.72, 0.00317355/step Wall: 4501.72, 0.00317355/step, 3.15239 hours remaining, 234.535156 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: 1424000 3912.9209 20514.7050 14472.2327 246.1746 -203461.4413 2544.1908 0.0000 0.0000 51731.7868 -110039.4306 297.3033 -161771.2174 -109682.3170 297.3583 -95.8289 -70.3215 760955.5320 -8.2281 -8.2146 PRESSURE: 1424200 -10.9403 -79.2308 190.289 -79.2306 -260.447 37.859 190.289 37.8585 -243.01 GPRESSURE: 1424200 -22.9978 -102.165 164.369 -103.968 -249.054 18.8889 67.899 3.56939 -162.375 PRESSAVG: 1424200 13.5187 19.697 18.9123 19.697 -5.27245 8.4176 18.9122 8.41761 3.12958 GPRESSAVG: 1424200 13.0788 22.2402 17.7585 17.6561 -5.91182 9.40812 17.3056 7.63066 4.22256 TIMING: 1424200 CPU: 4502.35, 0.00314893/step Wall: 4502.35, 0.00314893/step, 3.12776 hours remaining, 234.535156 MB of memory in use. ENERGY: 1424200 4027.5164 20540.2821 14438.3826 254.1820 -203894.6451 2828.3440 0.0000 0.0000 51846.0067 -109959.9312 297.9597 -161805.9379 -109600.2236 297.6417 -171.4657 -144.8090 762462.6782 3.7919 3.7965 LDB: ============= START OF LOAD BALANCING ============== 4514.88 LDB: ============== END OF LOAD BALANCING =============== 4514.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4514.89 LDB: ============= START OF LOAD BALANCING ============== 4515.2 LDB: Largest compute 7037 load 0.030956 is 15.8% of average load 0.195423 LDB: Average compute 0.004375 is 2.2% of average load 0.195423 LDB: TIME 4515.21 LOAD: AVG 0.195423 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.301 MB LDB: TIME 4515.21 LOAD: AVG 0.195423 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: TIME 4515.21 LOAD: AVG 0.195423 MAX 0.21576 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.504 MB LDB: ============== END OF LOAD BALANCING =============== 4515.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4515.21 PRESSURE: 1424400 -262.493 -53.8511 -15.9302 -53.8511 41.109 96.9482 -15.9301 96.9481 142.488 GPRESSURE: 1424400 -266.769 -55.3546 -16.1097 -8.79133 109.257 100.761 58.6036 54.3378 167.538 PRESSAVG: 1424400 -21.1716 -5.79553 11.0234 -5.79551 39.6199 3.01354 11.0234 3.01359 7.51529 GPRESSAVG: 1424400 -21.7379 -5.73444 11.3632 -3.43354 40.7914 2.43264 14.6132 2.13456 6.8807 TIMING: 1424400 CPU: 4503, 0.00321796/step Wall: 4503, 0.00321796/step, 3.19615 hours remaining, 233.503906 MB of memory in use. ENERGY: 1424400 4020.0154 20485.0127 14530.8390 235.1049 -203465.7783 2642.5539 0.0000 0.0000 51889.8376 -109662.4149 298.2116 -161552.2525 -109299.1227 298.0812 -26.2987 3.3421 763309.5088 8.6545 8.6447 PRESSURE: 1424600 266.32 76.3537 -235.258 76.3537 -387.018 -128.034 -235.257 -128.035 -191.9 GPRESSURE: 1424600 177.931 104.175 -242.201 69.6295 -200.227 -150.26 -397.191 -28.9095 -201.995 PRESSAVG: 1424600 7.33486 15.6287 -10.7911 15.6286 -17.4788 70.3196 -10.7911 70.3196 -7.50742 GPRESSAVG: 1424600 6.99853 14.5854 -12.2214 14.2819 -16.4556 71.1164 -10.8792 69.0202 -8.47941 TIMING: 1424600 CPU: 4503.63, 0.00315419/step Wall: 4503.63, 0.00315419/step, 3.13264 hours remaining, 233.503906 MB of memory in use. ENERGY: 1424600 3993.2121 20556.0658 14566.4224 250.1752 -203587.1709 2784.8184 0.0000 0.0000 51760.6910 -109675.7860 297.4694 -161436.4770 -109320.1241 298.3660 -104.1996 -74.7636 762208.5078 -5.8838 -5.9788 PRESSURE: 1424800 -352.037 -138.407 -80.8162 -138.407 -201.138 -166.822 -80.8168 -166.822 -479.006 GPRESSURE: 1424800 -261.259 -46.1872 -120.103 -46.9865 -244.615 -134.543 -223.478 -63.9906 -419.064 PRESSAVG: 1424800 39.5782 -38.263 1.94064 -38.263 37.0436 -15.0831 1.94073 -15.083 -2.03024 GPRESSAVG: 1424800 40.8512 -35.5891 2.90831 -39.108 35.6184 -15.1812 -0.814855 -13.6904 -1.8895 TIMING: 1424800 CPU: 4504.26, 0.00316981/step Wall: 4504.26, 0.00316981/step, 3.14797 hours remaining, 233.503906 MB of memory in use. ENERGY: 1424800 4178.8695 20534.5732 14494.4075 225.3637 -203391.4736 2584.4948 0.0000 0.0000 51876.6495 -109497.1154 298.1358 -161373.7649 -109137.6452 299.0664 -344.0604 -308.3126 762343.1237 24.8638 24.8600 PRESSURE: 1425000 -2.84134 87.5481 199.176 87.549 -133.393 -33.7412 199.176 -33.7404 132.017 GPRESSURE: 1425000 9.11001 63.9615 260.865 35.4313 -78.3662 -73.7677 152.637 51.2389 140.213 PRESSAVG: 1425000 -20.7806 -68.5951 -4.80645 -68.5952 -15.397 4.7993 -4.80638 4.79936 -14.6075 GPRESSAVG: 1425000 -22.0252 -70.8662 -6.07182 -68.0992 -15.871 5.02807 -2.76274 4.62856 -12.8027 TIMING: 1425000 CPU: 4504.89, 0.00315762/step Wall: 4504.89, 0.00315762/step, 3.13569 hours remaining, 233.695312 MB of memory in use. ENERGY: 1425000 4029.5968 20546.8870 14568.7624 253.3052 -203418.5089 2650.2912 0.0000 0.0000 51870.7316 -109498.9347 298.1018 -161369.6663 -109141.5753 298.8799 -1.4059 23.6522 764088.9480 -16.9284 -16.8996 PRESSURE: 1425200 194.706 118.057 -72.8542 118.056 106.474 68.9818 -72.8542 68.9827 -205.41 GPRESSURE: 1425200 188.309 43.632 -27.9608 113.837 158.145 39.4993 -124.471 149.983 -181.194 PRESSAVG: 1425200 -31.4363 9.02242 -68.8794 9.02244 6.13782 -11.9606 -68.8795 -11.9606 15.4987 GPRESSAVG: 1425200 -31.7468 9.01463 -66.1937 10.0455 5.72579 -12.7778 -69.6025 -9.15022 16.1718 TIMING: 1425200 CPU: 4505.53, 0.00317448/step Wall: 4505.53, 0.00317448/step, 3.15226 hours remaining, 233.707031 MB of memory in use. ENERGY: 1425200 4028.4947 20566.8286 14503.4906 256.5821 -203212.8065 2787.9324 0.0000 0.0000 51629.5425 -109439.9356 296.7157 -161069.4781 -109090.4159 298.7501 31.9231 55.0870 764370.9446 -3.2666 -3.2831 PRESSURE: 1425400 208.996 280.222 -27.8801 280.223 -205.031 -10.6852 -27.8801 -10.6848 -74.798 GPRESSURE: 1425400 137.316 208.943 38.7738 291.319 -57.3584 -57.4722 -146.286 31.7161 -77.7541 PRESSAVG: 1425400 19.6136 -2.97003 9.17658 -2.96997 -21.6094 6.63315 9.17659 6.63317 -6.62943 GPRESSAVG: 1425400 19.8589 -4.88457 8.32083 -0.749013 -21.982 7.11246 9.32427 4.80114 -6.4162 TIMING: 1425400 CPU: 4506.16, 0.00315284/step Wall: 4506.16, 0.00315284/step, 3.13059 hours remaining, 233.707031 MB of memory in use. ENERGY: 1425400 3917.0477 20523.3667 14525.3783 243.1696 -203760.9227 3121.9601 0.0000 0.0000 52000.5388 -109429.4614 298.8478 -161430.0002 -109072.3367 298.9928 -23.6111 0.7344 763733.9914 -2.8751 -2.8464 PRESSURE: 1425600 280.965 20.1781 -129.352 20.1779 -79.7746 171.153 -129.353 171.153 -38.3957 GPRESSURE: 1425600 333.616 -48.5658 -128.226 100.433 -71.6489 198.336 -97.9804 194.95 -16.7891 PRESSAVG: 1425600 10.9953 8.90172 15.5573 8.9017 -16.5877 41.8455 15.5573 41.8455 -1.48438 GPRESSAVG: 1425600 11.1481 9.8638 14.977 7.2624 -16.1471 41.5369 16.6485 40.9804 -2.07173 TIMING: 1425600 CPU: 4506.79, 0.00315165/step Wall: 4506.79, 0.00315165/step, 3.12923 hours remaining, 233.707031 MB of memory in use. ENERGY: 1425600 3991.3645 20682.5827 14562.0550 242.6033 -203431.7092 2808.3898 0.0000 0.0000 51882.1060 -109262.6079 298.1672 -161144.7139 -108908.9013 298.6093 54.2650 81.7260 763342.9180 -2.3589 -2.3569 PRESSURE: 1425800 65.9933 -55.0225 191.109 -55.0239 -130.559 -297.043 191.109 -297.043 -206.103 GPRESSURE: 1425800 168.216 20.1587 183.853 -60.6366 -182.28 -276.937 127.811 -144.263 -167.761 PRESSAVG: 1425800 -8.24753 -9.55591 -13.8388 -9.55592 12.5381 61.8324 -13.8387 61.8324 -7.94971 GPRESSAVG: 1425800 -7.72401 -9.72236 -12.8623 -9.08114 12.1871 62.0974 -14.6154 62.3392 -7.90035 TIMING: 1425800 CPU: 4507.42, 0.00313752/step Wall: 4507.42, 0.00313752/step, 3.11504 hours remaining, 233.707031 MB of memory in use. ENERGY: 1425800 4060.2008 20487.7212 14549.0031 242.9987 -203175.7406 2668.7904 0.0000 0.0000 51836.9255 -109330.1009 297.9075 -161167.0264 -108974.9573 298.8930 -90.2229 -60.6083 762756.4835 -1.2197 -1.1458 PRESSURE: 1426000 183.29 -10.3638 24.5851 -10.3636 -347.588 -240.431 24.5859 -240.432 23.915 GPRESSURE: 1426000 215.317 -22.0866 160.352 -72.8725 -221.949 -258.401 -0.915661 -156.325 -43.3233 PRESSAVG: 1426000 -3.39697 -0.137315 22.9288 -0.13732 -17.6709 14.1113 22.9289 14.1113 -26.1371 GPRESSAVG: 1426000 -2.1666 -0.144797 22.3199 0.736001 -16.9291 13.3617 22.3811 16.2598 -27.9365 TIMING: 1426000 CPU: 4508.04, 0.00313536/step Wall: 4508.04, 0.00313536/step, 3.11271 hours remaining, 233.707031 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: 1426000 3943.4498 20456.4852 14519.6072 250.1812 -203452.1572 2851.4580 0.0000 0.0000 51988.2656 -109442.7100 298.7773 -161430.9757 -109073.0372 298.6366 -46.7944 -16.6518 762970.6375 -15.7350 -15.6774 PRESSURE: 1426200 177.375 -29.967 -20.0826 -29.9671 -20.321 -8.1318 -20.0826 -8.13142 -284.406 GPRESSURE: 1426200 238.652 -39.3309 -16.0424 103.343 -76.3237 16.4963 6.55273 20.0847 -199.088 PRESSAVG: 1426200 57.3158 8.57753 -16.162 8.57752 -61.8006 -23.3376 -16.1621 -23.3376 1.87802 GPRESSAVG: 1426200 55.3531 10.7625 -15.4948 7.21642 -62.0208 -22.349 -16.6405 -26.6463 3.64204 TIMING: 1426200 CPU: 4508.67, 0.00313268/step Wall: 4508.67, 0.00313268/step, 3.10988 hours remaining, 233.707031 MB of memory in use. ENERGY: 1426200 4049.6608 20447.0305 14486.5751 255.5392 -203147.8784 2563.0563 0.0000 0.0000 51725.3109 -109620.7056 297.2661 -161346.0166 -109258.0686 298.3660 -42.4504 -12.2531 762463.4164 -0.8689 -1.0085 PRESSURE: 1426400 382.589 -95.4488 -64.5171 -95.4486 178.201 -148.584 -64.5171 -148.584 167.929 GPRESSURE: 1426400 377.188 -58.4447 -169.524 -175.515 218.685 -147.475 -87.717 -223.542 217.999 PRESSAVG: 1426400 27.7626 19.6665 26.5916 19.6665 -21.8692 37.9726 26.5916 37.9727 -0.561149 GPRESSAVG: 1426400 29.9808 18.77 25.9972 20.2742 -22.2963 38.0979 27.1105 37.0497 -2.33417 TIMING: 1426400 CPU: 4509.3, 0.00316496/step Wall: 4509.3, 0.00316496/step, 3.14175 hours remaining, 233.707031 MB of memory in use. ENERGY: 1426400 3975.0980 20447.9962 14488.1473 237.7418 -203710.7452 2891.4459 0.0000 0.0000 52094.0058 -109576.3103 299.3850 -161670.3161 -109214.0046 298.4740 242.9064 271.2909 761205.4869 1.7774 1.7834 PRESSURE: 1426600 82.9729 50.5646 135.01 50.5642 -40.1903 87.8552 135.009 87.8543 -115.911 GPRESSURE: 1426600 93.3756 57.6323 151.198 -11.1327 -12.7532 100.425 125.964 105.707 -69.0509 PRESSAVG: 1426600 -13.9175 70.5513 15.4445 70.5512 44.1336 42.2443 15.4446 42.2443 32.869 GPRESSAVG: 1426600 -16.1505 70.7892 15.7981 70.5574 44.4047 42.1804 15.7369 44.3652 34.965 TIMING: 1426600 CPU: 4509.94, 0.00316989/step Wall: 4509.94, 0.00316989/step, 3.14647 hours remaining, 233.707031 MB of memory in use. ENERGY: 1426600 4001.3093 20497.5172 14422.0086 253.1583 -203568.3386 2659.2997 0.0000 0.0000 52233.8743 -109501.1711 300.1888 -161735.0454 -109132.5026 298.4586 -24.3763 3.8572 761020.7339 21.0284 21.0730 PRESSURE: 1426800 -295.032 89.3728 5.88513 89.3732 -22.768 19.6799 5.88481 19.68 -6.48335 GPRESSURE: 1426800 -192.012 45.9219 -50.429 117.168 -16.9584 -7.58921 52.3031 -67.2376 -15.6184 PRESSAVG: 1426800 -20.8929 -13.0649 0.0449281 -13.065 -11.1434 3.25423 0.0449867 3.25422 -18.3699 GPRESSAVG: 1426800 -19.8285 -13.9234 -1.10441 -13.5212 -10.6079 1.86159 0.375718 2.93828 -19.8219 TIMING: 1426800 CPU: 4510.57, 0.00316615/step Wall: 4510.57, 0.00316615/step, 3.14258 hours remaining, 233.707031 MB of memory in use. ENERGY: 1426800 4005.2886 20542.4983 14532.7399 251.6936 -203487.6304 2858.3675 0.0000 0.0000 51898.5838 -109398.4586 298.2619 -161297.0424 -109033.1264 299.1892 -108.0945 -74.8630 764146.2002 -16.8021 -16.7528 PRESSURE: 1427000 -276.796 -160.238 34.6275 -160.238 -99.2077 1.14264 34.6278 1.14125 87.8934 GPRESSURE: 1427000 -213.83 -231.899 -43.6628 -17.6318 -124.453 -13.0632 126.432 134.466 125.216 PRESSAVG: 1427000 -21.6661 -32.3429 -2.80491 -32.3429 15.2407 33.0063 -2.80486 33.0063 -1.56768 GPRESSAVG: 1427000 -23.1101 -33.6359 -5.48452 -31.5949 14.6277 33.7047 -0.504602 32.5358 0.359354 TIMING: 1427000 CPU: 4511.2, 0.00314572/step Wall: 4511.2, 0.00314572/step, 3.12213 hours remaining, 233.707031 MB of memory in use. ENERGY: 1427000 3910.4748 20416.5420 14434.5177 224.0832 -203442.4608 2729.0841 0.0000 0.0000 52255.7705 -109471.9885 300.3146 -161727.7590 -109102.1919 299.3302 -96.0367 -71.0224 762935.8669 -2.6644 -2.7077 PRESSURE: 1427200 67.3102 -228.326 162.253 -228.325 -317.052 -86.0222 162.253 -86.0218 453.884 GPRESSURE: 1427200 121.091 -96.6475 111.444 -267.543 -236.828 -115.539 173.933 -125.729 414.988 PRESSAVG: 1427200 -52.4788 -5.40456 33.7333 -5.40457 20.2164 73.9354 33.7333 73.9355 9.33974 GPRESSAVG: 1427200 -50.8024 -3.9233 37.1444 -7.20796 19.9774 72.5532 32.0321 75.8008 6.94121 TIMING: 1427200 CPU: 4511.83, 0.00315163/step Wall: 4511.83, 0.00315163/step, 3.12782 hours remaining, 233.707031 MB of memory in use. ENERGY: 1427200 3927.1058 20464.4993 14526.0016 259.6307 -203513.2645 2708.5184 0.0000 0.0000 52021.7445 -109605.7642 298.9697 -161627.5087 -109251.9012 298.9245 68.0473 99.7507 761566.7893 -7.6409 -7.9613 PRESSURE: 1427400 342.331 -1.06842 156.909 -1.06816 2.95752 177.135 156.909 177.135 -30.653 GPRESSURE: 1427400 325.75 17.5602 119.132 106.891 86.3328 154.023 220.203 71.2453 -26.4585 PRESSAVG: 1427400 43.6789 14.5053 -26.2582 14.5052 8.03821 39.7018 -26.2582 39.7018 -0.0165027 GPRESSAVG: 1427400 42.3987 14.6499 -25.632 16.2928 9.24242 40.538 -27.044 39.8482 0.0138944 TIMING: 1427400 CPU: 4512.46, 0.00316896/step Wall: 4512.46, 0.00316896/step, 3.14484 hours remaining, 233.707031 MB of memory in use. ENERGY: 1427400 3945.7222 20435.9416 14546.9955 235.8114 -203582.3570 2788.0178 0.0000 0.0000 51924.3710 -109705.4975 298.4101 -161629.8686 -109344.7833 299.0885 104.8785 128.5414 761580.6575 17.2335 17.2184 PRESSURE: 1427600 410.11 68.2687 186.396 68.2691 20.9667 55.8617 186.396 55.8613 356.104 GPRESSURE: 1427600 370.28 -5.09318 81.2252 -105.438 138.863 95.4935 132.184 100.935 379.574 PRESSAVG: 1427600 26.8842 6.89779 -18.881 6.8978 -22.0695 -17.7844 -18.8811 -17.7845 8.98396 GPRESSAVG: 1427600 27.6126 6.79711 -19.6785 5.27813 -23.1799 -16.3357 -19.7007 -19.741 8.71485 TIMING: 1427600 CPU: 4513.09, 0.00313526/step Wall: 4513.09, 0.00313526/step, 3.11122 hours remaining, 233.707031 MB of memory in use. ENERGY: 1427600 3997.5349 20528.5298 14555.3163 265.8729 -204255.4684 3185.8679 0.0000 0.0000 52117.8317 -109604.5150 299.5219 -161722.3467 -109251.5202 299.0310 262.3936 296.2390 761516.6292 4.5995 4.3825 PRESSURE: 1427800 -249.66 27.3973 78.7522 27.397 -139.897 -266.901 78.7517 -266.901 72.4911 GPRESSURE: 1427800 -175.517 -19.3328 20.9814 43.177 -156.041 -224.481 15.343 -182.573 104.61 PRESSAVG: 1427800 -0.190607 -5.37051 3.81898 -5.37047 17.7143 66.8741 3.81901 66.8741 -15.2335 GPRESSAVG: 1427800 1.39764 -6.14255 4.17389 -4.23474 15.9448 66.8909 4.37789 67.5665 -14.9467 TIMING: 1427800 CPU: 4513.72, 0.00314722/step Wall: 4513.72, 0.00314722/step, 3.12292 hours remaining, 233.695312 MB of memory in use. ENERGY: 1427800 4046.8947 20715.8391 14522.1559 224.0287 -203979.1637 2954.3836 0.0000 0.0000 51827.9830 -109687.8787 297.8561 -161515.8617 -109323.7606 299.2112 -105.6885 -75.6494 761211.6461 0.7634 0.7986 PRESSURE: 1428000 -93.4706 -153.081 209.142 -153.081 77.203 35.0902 209.142 35.0901 246.541 GPRESSURE: 1428000 15.3834 -95.1772 150.845 -125.825 107.984 17.023 188.685 -26.8317 181.155 PRESSAVG: 1428000 21.566 -43.6606 -20.9356 -43.6606 6.60507 6.93462 -20.9356 6.93459 5.88781 GPRESSAVG: 1428000 20.5614 -44.959 -19.7425 -42.6432 7.63518 5.37705 -20.3341 5.56886 6.18702 TIMING: 1428000 CPU: 4514.35, 0.0031449/step Wall: 4514.35, 0.0031449/step, 3.12044 hours remaining, 233.695312 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: 1428000 3958.3391 20645.7427 14479.2092 250.7117 -203798.5915 2860.8558 0.0000 0.0000 51989.0330 -109614.6999 298.7817 -161603.7329 -109253.2249 298.9242 76.7578 101.5075 761296.0357 11.3530 11.4612 PRESSURE: 1428200 -342.304 35.6214 -46.1485 35.6209 94.0523 -84.0881 -46.148 -84.0881 -234.605 GPRESSURE: 1428200 -325.234 87.6428 -66.2875 28.5898 123.215 -145.815 49.2479 -85.2698 -217.226 PRESSAVG: 1428200 -21.4312 -34.3484 -27.2472 -34.3485 -10.6085 -39.5046 -27.2472 -39.5045 -12.6901 GPRESSAVG: 1428200 -22.1496 -34.4269 -30.3535 -35.2113 -10.3036 -39.7169 -25.2547 -36.6752 -12.2718 TIMING: 1428200 CPU: 4514.98, 0.0031477/step Wall: 4514.98, 0.0031477/step, 3.12304 hours remaining, 233.695312 MB of memory in use. ENERGY: 1428200 4102.6306 20585.2575 14482.8492 231.6353 -203881.7335 2867.9290 0.0000 0.0000 51973.3734 -109638.0586 298.6917 -161611.4320 -109282.2505 298.9251 -160.9522 -139.7486 761996.5681 -14.9099 -14.9083 LDB: ============= START OF LOAD BALANCING ============== 4527.51 LDB: ============== END OF LOAD BALANCING =============== 4527.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4527.51 LDB: ============= START OF LOAD BALANCING ============== 4527.83 LDB: Largest compute 7042 load 0.030950 is 15.8% of average load 0.195452 LDB: Average compute 0.004380 is 2.2% of average load 0.195452 LDB: TIME 4527.83 LOAD: AVG 0.195452 MAX 0.213589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.223 MB LDB: TIME 4527.83 LOAD: AVG 0.195452 MAX 0.213589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.223 MB LDB: TIME 4527.83 LOAD: AVG 0.195452 MAX 0.213589 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.223 MB LDB: ============== END OF LOAD BALANCING =============== 4527.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4527.84 PRESSURE: 1428400 -54.0666 -6.5055 74.5687 -6.5051 121.742 141.223 74.5684 141.224 45.0098 GPRESSURE: 1428400 -7.06272 -24.4438 108.919 -138.452 129.668 229.235 7.01106 94.5666 83.0677 PRESSAVG: 1428400 -20.2114 -33.95 16.8544 -33.9501 -37.5992 5.218 16.8545 5.21803 2.94343 GPRESSAVG: 1428400 -20.3734 -31.4035 17.9075 -35.1922 -37.337 6.26911 16.0272 4.73412 2.39139 TIMING: 1428400 CPU: 4515.62, 0.00321601/step Wall: 4515.62, 0.00321601/step, 3.19064 hours remaining, 234.277344 MB of memory in use. ENERGY: 1428400 3987.0316 20453.9677 14568.2252 238.1268 -203706.1750 2675.3247 0.0000 0.0000 51989.0643 -109794.4347 298.7819 -161783.4990 -109423.6429 298.4892 37.5616 68.5577 761359.2975 -18.2891 -18.4396 PRESSURE: 1428600 86.1262 2.05377 -52.3159 2.05385 221.458 -114.553 -52.3158 -114.552 -339.731 GPRESSURE: 1428600 118.533 -140.961 77.2174 -147.602 226.923 -195.338 -158.175 -38.3202 -276.717 PRESSAVG: 1428600 -51.1006 -36.1829 -33.3651 -36.1829 16.8287 -19.8839 -33.3652 -19.8839 9.01809 GPRESSAVG: 1428600 -48.5194 -38.5774 -33.3457 -36.0146 16.1348 -20.1937 -33.4066 -19.9789 7.45317 TIMING: 1428600 CPU: 4516.25, 0.00314889/step Wall: 4516.25, 0.00314889/step, 3.12388 hours remaining, 234.277344 MB of memory in use. ENERGY: 1428600 4019.4791 20491.4395 14499.7553 278.6723 -203901.2053 2928.0419 0.0000 0.0000 51704.2610 -109979.5563 297.1451 -161683.8172 -109618.6989 297.9233 -10.7154 22.9131 760516.6769 -8.4179 -8.3105 PRESSURE: 1428800 98.0543 -6.25497 39.0497 -6.25629 -148.583 309.151 39.0489 309.151 -304.418 GPRESSURE: 1428800 42.0223 -90.9577 107.399 -58.8813 -48.0827 256.508 37.2511 270.493 -240.741 PRESSAVG: 1428800 9.03102 -34.5661 9.62185 -34.5662 -12.5574 -40.522 9.6218 -40.5219 5.37629 GPRESSAVG: 1428800 6.49053 -31.3335 10.116 -34.6531 -11.3276 -40.0487 7.2535 -40.5503 6.85125 TIMING: 1428800 CPU: 4516.88, 0.00315013/step Wall: 4516.88, 0.00315013/step, 3.12493 hours remaining, 234.277344 MB of memory in use. ENERGY: 1428800 3992.0837 20376.4888 14460.4097 220.5128 -203433.5291 2559.5295 0.0000 0.0000 51998.8458 -109825.6588 298.8381 -161824.5046 -109456.6444 298.1868 -118.3154 -82.2672 759976.6816 0.6166 0.6714 PRESSURE: 1429000 -109.308 -18.5946 189.674 -18.5947 368.411 -65.4794 189.674 -65.48 -229.209 GPRESSURE: 1429000 -129.966 26.7 10.4728 119.757 344.59 -152.98 128.666 -122.956 -106.204 PRESSAVG: 1429000 -21.8295 -2.82702 -18.0721 -2.82701 59.0024 12.4662 -18.0721 12.4661 -24.9997 GPRESSAVG: 1429000 -20.6786 -4.58221 -19.5229 -1.24504 58.7176 12.0012 -16.245 11.7632 -25.6472 TIMING: 1429000 CPU: 4517.51, 0.00314558/step Wall: 4517.51, 0.00314558/step, 3.12024 hours remaining, 234.277344 MB of memory in use. ENERGY: 1429000 3969.6045 20494.6963 14502.3842 242.9473 -203744.7586 2831.0263 0.0000 0.0000 52091.5480 -109612.5520 299.3708 -161704.1000 -109239.3196 298.1203 9.9648 36.1399 760939.8528 4.0577 4.1306 PRESSURE: 1429200 -103.937 59.8129 26.4176 59.8132 -111.738 38.8897 26.4184 38.8895 -415.203 GPRESSURE: 1429200 9.59076 -33.5815 65.8317 120.343 -149.516 27.0558 78.0664 128.145 -394.092 PRESSAVG: 1429200 55.4846 -11.2926 8.52149 -11.2926 -40.2446 0.983413 8.52146 0.983391 -20.6657 GPRESSAVG: 1429200 56.2068 -8.65683 9.73131 -11.857 -39.6544 2.26834 7.63885 0.247593 -21.1231 TIMING: 1429200 CPU: 4518.14, 0.0031524/step Wall: 4518.14, 0.0031524/step, 3.12683 hours remaining, 234.343750 MB of memory in use. ENERGY: 1429200 4008.2861 20396.2503 14481.1233 259.0334 -203287.6553 2563.1951 0.0000 0.0000 52104.7125 -109475.0547 299.4465 -161579.7671 -109113.0283 298.7650 -210.2926 -178.0058 761023.0738 -1.8086 -1.5235 PRESSURE: 1429400 275.318 -76.0585 81.1716 -76.0583 -79.1894 7.28387 81.1718 7.28335 -24.9063 GPRESSURE: 1429400 204.824 -44.31 24.9191 -45.3085 -71.5711 -45.1277 21.3706 -16.9536 99.4942 PRESSAVG: 1429400 20.6658 -5.05877 -0.682699 -5.0588 34.6147 51.9417 -0.682743 51.9417 10.105 GPRESSAVG: 1429400 19.4258 -9.39205 -0.097119 -3.99711 33.7792 50.0352 -1.86315 55.1935 12.5421 TIMING: 1429400 CPU: 4518.77, 0.00316991/step Wall: 4518.77, 0.00316991/step, 3.14402 hours remaining, 234.546875 MB of memory in use. ENERGY: 1429400 3987.9684 20559.0638 14508.1809 237.3863 -203565.3005 2792.4513 0.0000 0.0000 51822.1030 -109658.1467 297.8223 -161480.2497 -109289.3416 298.8883 57.0741 77.5824 762148.4771 21.7952 21.9157 PRESSURE: 1429600 -293.727 8.52434 197.71 8.52516 -21.3877 138.453 197.71 138.453 -76.3436 GPRESSURE: 1429600 -252.838 24.7899 250.341 101.147 59.9553 144.368 221.008 190.047 -98.1929 PRESSAVG: 1429600 -35.8165 7.05677 51.2424 7.05678 2.19413 4.64266 51.2425 4.64268 9.4792 GPRESSAVG: 1429600 -35.2983 8.93267 50.2409 5.56866 3.6428 5.65081 52.6916 2.33481 7.53412 TIMING: 1429600 CPU: 4519.4, 0.00314996/step Wall: 4519.4, 0.00314996/step, 3.12406 hours remaining, 234.535156 MB of memory in use. ENERGY: 1429600 3984.3038 20360.6918 14559.9895 245.6989 -203319.9271 2422.9252 0.0000 0.0000 52001.7975 -109744.5203 298.8550 -161746.3178 -109375.9899 298.1236 -130.4859 -97.0251 761487.7700 -8.0477 -8.0405 PRESSURE: 1429800 376.462 81.8787 76.509 81.8797 61.0171 -19.8053 76.5088 -19.8052 251 GPRESSURE: 1429800 378.301 78.7239 26.2058 -30.5798 177.153 -36.0141 97.3592 18.8261 206.116 PRESSAVG: 1429800 -1.5721 11.9297 53.419 11.9298 -20.058 -23.3274 53.4189 -23.3274 29.2251 GPRESSAVG: 1429800 -2.48203 10.6203 54.3973 14.1716 -20.2 -23.2383 53.8329 -23.4554 29.1698 TIMING: 1429800 CPU: 4520.04, 0.00315222/step Wall: 4520.04, 0.00315222/step, 3.12612 hours remaining, 234.546875 MB of memory in use. ENERGY: 1429800 4015.8667 20471.2462 14491.7419 236.9364 -203797.4251 2857.8565 0.0000 0.0000 51855.0013 -109868.7761 298.0114 -161723.7774 -109505.5616 297.8221 229.4931 253.8568 761115.8580 2.5317 2.1626 PRESSURE: 1430000 -357.147 -136.159 96.1984 -136.16 -189.054 125.495 96.1985 125.495 -163.97 GPRESSURE: 1430000 -226.544 -171.511 61.3443 -141.688 -114.954 178.024 31.5021 62.3706 -275 PRESSAVG: 1430000 3.95439 34.2485 49.3233 34.2485 23.5601 -23.6558 49.3232 -23.6557 28.4345 GPRESSAVG: 1430000 5.89975 35.0032 48.4394 32.8772 21.9477 -23.7315 47.2763 -24.9517 28.7107 TIMING: 1430000 CPU: 4520.66, 0.00314626/step Wall: 4520.66, 0.00314626/step, 3.12004 hours remaining, 234.546875 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: 1430000 3944.4289 20475.5685 14519.7458 239.0418 -203498.6450 2444.1459 0.0000 0.0000 52023.7679 -109851.9463 298.9813 -161875.7142 -109495.6774 298.4319 -236.7236 -205.4992 761089.6812 18.6497 18.8527 PRESSURE: 1430200 343.679 144.749 -140.35 144.749 364.477 -65.589 -140.35 -65.59 -122.386 GPRESSURE: 1430200 292.926 163.993 -69.5744 105.041 419.104 57.6456 -114.895 -27.2992 -40.2145 PRESSAVG: 1430200 -28.8505 61.1116 -27.9212 61.1115 26.3019 4.82805 -27.9212 4.82801 -2.73611 GPRESSAVG: 1430200 -29.4734 63.0617 -28.0675 60.7302 25.5909 5.00398 -26.4783 4.75031 -2.32439 TIMING: 1430200 CPU: 4521.3, 0.00315997/step Wall: 4521.3, 0.00315997/step, 3.13347 hours remaining, 234.546875 MB of memory in use. ENERGY: 1430200 3937.7182 20477.1889 14550.7559 231.5894 -204163.2761 3130.7427 0.0000 0.0000 51842.2050 -109993.0760 297.9379 -161835.2811 -109630.1926 298.0175 195.2565 223.9383 761043.9399 -1.7616 -2.0690 PRESSURE: 1430400 150.224 40.2226 -84.8722 40.2232 -180.516 84.2706 -84.8728 84.2698 143.251 GPRESSURE: 1430400 266.583 -75.4373 -97.5226 -11.2979 -151.571 124.335 -36.2962 95.938 111.805 PRESSAVG: 1430400 -17.7301 39.9233 -2.80006 39.9233 27.9819 -10.0517 -2.80006 -10.0518 21.0643 GPRESSAVG: 1430400 -18.6178 37.7703 -3.78151 38.4605 30.0361 -9.62721 -2.77219 -9.35458 20.0634 TIMING: 1430400 CPU: 4521.93, 0.00316096/step Wall: 4521.93, 0.00316097/step, 3.13427 hours remaining, 234.546875 MB of memory in use. ENERGY: 1430400 4066.9913 20519.9632 14462.2813 238.1141 -204212.0230 3083.6236 0.0000 0.0000 51996.3381 -109844.7113 298.8237 -161841.0494 -109485.6418 298.2994 37.6530 75.6053 762376.9279 10.4387 10.4939 PRESSURE: 1430600 -212.2 -80.8167 135.183 -80.8164 251.848 23.5521 135.182 23.5525 -7.53622 GPRESSURE: 1430600 -161.284 -73.6569 42.9553 -94.6959 301.78 30.3781 193.106 38.7632 -23.3901 PRESSAVG: 1430600 57.0122 12.4054 -18.3747 12.4055 -40.0956 -7.02394 -18.3747 -7.02387 -0.110216 GPRESSAVG: 1430600 57.5021 13.2805 -17.0952 15.0796 -40.6442 -7.24871 -17.934 -6.74726 -0.00869607 TIMING: 1430600 CPU: 4522.57, 0.00319243/step Wall: 4522.57, 0.00319243/step, 3.16529 hours remaining, 234.546875 MB of memory in use. ENERGY: 1430600 4080.9439 20516.9844 14501.1211 237.4225 -204166.5873 3099.8143 0.0000 0.0000 51880.1295 -109850.1717 298.1558 -161730.3012 -109487.5945 298.1945 10.7039 39.0353 761602.0846 5.6021 5.6164 PRESSURE: 1430800 -220.353 -30.5712 -298.818 -30.5716 281.053 279.992 -298.818 279.991 -195.263 GPRESSURE: 1430800 -187.818 5.14572 -236.859 -50.0805 231.669 131.947 -260.865 168.274 -100.707 PRESSAVG: 1430800 -6.23847 -13.1736 3.8313 -13.1736 26.0992 17.4201 3.83127 17.42 19.3445 GPRESSAVG: 1430800 -5.0482 -15.5998 3.53339 -13.1204 25.1758 17.8956 3.39471 16.3408 19.478 TIMING: 1430800 CPU: 4523.2, 0.00318073/step Wall: 4523.2, 0.00318073/step, 3.15351 hours remaining, 234.546875 MB of memory in use. ENERGY: 1430800 3997.6578 20560.6282 14547.9144 239.4744 -204123.4391 2970.6609 0.0000 0.0000 51810.0779 -109997.0255 297.7532 -161807.1035 -109641.9086 298.2050 -44.8543 -18.9520 760129.3332 13.0684 13.2019 PRESSURE: 1431000 218.076 100.188 22.1814 100.188 -351.309 67.6799 22.1819 67.6801 203.231 GPRESSURE: 1431000 206.165 75.1518 80.539 71.5661 -311.209 70.6124 105.126 130.539 254.826 PRESSAVG: 1431000 -51.867 -24.5379 23.022 -24.538 85.9238 -20.1954 23.022 -20.1954 25.0532 GPRESSAVG: 1431000 -51.8589 -23.9261 20.7811 -25.2496 86.511 -20.9797 22.7967 -18.0386 24.7833 TIMING: 1431000 CPU: 4523.84, 0.00317619/step Wall: 4523.84, 0.00317619/step, 3.14884 hours remaining, 234.546875 MB of memory in use. ENERGY: 1431000 4001.0661 20526.5293 14529.7309 244.8258 -204008.8597 2912.5844 0.0000 0.0000 52070.5920 -109723.5312 299.2504 -161794.1232 -109365.5462 298.2752 23.3327 49.9272 762191.3069 19.7033 19.8118 PRESSURE: 1431200 377.944 -77.7184 -161.105 -77.7183 -45.7742 166.907 -161.105 166.906 70.7936 GPRESSURE: 1431200 331.851 -88.1046 -59.004 -59.1473 16.9562 168.301 -95.8649 290.317 125.253 PRESSAVG: 1431200 -27.8483 -11.5762 -32.2489 -11.5762 7.60042 59.308 -32.2489 59.308 10.0599 GPRESSAVG: 1431200 -28.4065 -10.1382 -29.3905 -13.6658 7.47834 58.272 -32.8364 58.3455 10.6456 TIMING: 1431200 CPU: 4524.47, 0.00315623/step Wall: 4524.47, 0.00315623/step, 3.12887 hours remaining, 234.546875 MB of memory in use. ENERGY: 1431200 4004.2189 20588.5957 14590.3402 252.8091 -204165.2313 2921.6438 0.0000 0.0000 52041.3925 -109766.2312 299.0826 -161807.6236 -109402.4534 298.6912 134.3211 158.0202 762214.5737 -3.3960 -3.4275 PRESSURE: 1431400 -285.972 -171.383 -69.7908 -171.384 21.3525 -77.0478 -69.7906 -77.0475 -464.822 GPRESSURE: 1431400 -198.853 -55.8079 -13.0375 -131.22 -23.5237 -48.0492 -89.3985 92.5082 -401.069 PRESSAVG: 1431400 12.2556 -38.6491 34.7317 -38.6491 12.2565 27.9476 34.7317 27.9477 1.95924 GPRESSAVG: 1431400 11.1722 -36.8385 33.7975 -38.3382 13.4871 27.3768 36.244 29.8751 1.86887 TIMING: 1431400 CPU: 4525.1, 0.00317401/step Wall: 4525.1, 0.00317401/step, 3.14632 hours remaining, 234.546875 MB of memory in use. ENERGY: 1431400 4041.5713 20567.9350 14489.3613 240.0225 -203756.5109 2716.8239 0.0000 0.0000 52085.6194 -109615.1776 299.3368 -161700.7970 -109245.1959 299.0791 -243.1473 -207.8154 763428.6066 8.8238 8.8427 PRESSURE: 1431600 -107.505 214.685 -48.021 214.685 217.145 27.8199 -48.0201 27.8198 46.0397 GPRESSURE: 1431600 -38.8618 256.887 -107.935 222.924 248.337 24.9369 -16.7552 -12.0431 29.8212 PRESSAVG: 1431600 19.456 1.34521 29.4194 1.34515 -1.94914 32.808 29.4194 32.8079 22.3624 GPRESSAVG: 1431600 21.2746 -0.497709 31.8508 0.703723 -2.07981 33.283 26.7399 31.7459 21.2727 TIMING: 1431600 CPU: 4525.74, 0.00316299/step Wall: 4525.74, 0.00316299/step, 3.13523 hours remaining, 234.546875 MB of memory in use. ENERGY: 1431600 3931.5483 20707.4885 14496.2679 256.2579 -203717.6677 2556.1919 0.0000 0.0000 52178.2521 -109591.6610 299.8691 -161769.9132 -109238.1521 299.2176 51.8932 79.7656 761069.9995 13.2898 13.4891 PRESSURE: 1431800 -85.2256 300.955 -154.463 300.954 44.7116 171.594 -154.463 171.594 -339.675 GPRESSURE: 1431800 -20.4394 181.084 -183.699 195.636 0.867158 139.42 -70.2537 332.253 -293.962 PRESSAVG: 1431800 -39.6053 -33.0653 33.7702 -33.0653 22.5919 10.1207 33.7702 10.1207 0.655023 GPRESSAVG: 1431800 -39.8073 -33.5158 31.5898 -32.1039 22.5458 10.3963 37.6848 11.0122 0.644689 TIMING: 1431800 CPU: 4526.37, 0.00315909/step Wall: 4526.37, 0.00315909/step, 3.13119 hours remaining, 234.546875 MB of memory in use. ENERGY: 1431800 3995.7109 20683.2752 14450.8502 234.0901 -203856.1701 2801.8276 0.0000 0.0000 52308.3459 -109382.0702 300.6168 -161690.4161 -109018.2421 299.4092 -126.7298 -104.5114 762673.0366 -5.4528 -5.5389 PRESSURE: 1432000 34.1781 27.8192 59.1959 27.8198 189.995 -124.472 59.1955 -124.472 18.5247 GPRESSURE: 1432000 87.594 161.805 33.4382 -123.958 204.868 -103.032 -36.795 -248.204 44.417 PRESSAVG: 1432000 10.0359 35.4076 50.5879 35.4076 -14.0562 2.7227 50.5879 2.72261 -22.1004 GPRESSAVG: 1432000 9.74837 36.5456 52.309 36.3696 -15.0565 2.36094 46.3637 0.986926 -20.9565 TIMING: 1432000 CPU: 4527, 0.003162/step Wall: 4527, 0.003162/step, 3.13389 hours remaining, 234.546875 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: 1432000 3971.0608 20431.4923 14487.7682 252.0601 -203628.6686 2802.0122 0.0000 0.0000 52263.9603 -109420.3147 300.3617 -161684.2750 -109055.5687 299.3072 80.8993 112.2930 759057.8197 -8.7069 -8.7549 PRESSURE: 1432200 136.813 -1.94758 -224.055 -1.94844 243.253 -201.234 -224.055 -201.235 328.817 GPRESSURE: 1432200 189.045 -49.3972 -98.4571 -55.8106 266.418 -241.561 -270.852 -133.546 321.768 PRESSAVG: 1432200 11.4839 12.0972 -46.9795 12.0972 -41.5617 14.8324 -46.9794 14.8324 2.85883 GPRESSAVG: 1432200 9.92231 11.9227 -48.2482 12.041 -38.8288 13.9078 -45.4381 16.8281 2.38339 TIMING: 1432200 CPU: 4527.64, 0.00317159/step Wall: 4527.64, 0.00317159/step, 3.14322 hours remaining, 234.546875 MB of memory in use. ENERGY: 1432200 3966.6632 20660.7194 14550.5880 231.4838 -203787.1097 2967.8857 0.0000 0.0000 52013.0618 -109396.7077 298.9198 -161409.7695 -109042.3969 299.8311 236.2943 259.0768 760425.7237 -9.0730 -8.8410 LDB: ============= START OF LOAD BALANCING ============== 4540.17 LDB: ============== END OF LOAD BALANCING =============== 4540.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4540.17 LDB: ============= START OF LOAD BALANCING ============== 4540.49 LDB: Largest compute 7037 load 0.032657 is 16.7% of average load 0.195554 LDB: Average compute 0.004372 is 2.2% of average load 0.195554 LDB: TIME 4540.5 LOAD: AVG 0.195554 MAX 0.213088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.562 MB LDB: TIME 4540.5 LOAD: AVG 0.195554 MAX 0.213088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: TIME 4540.5 LOAD: AVG 0.195554 MAX 0.213088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.566 MB LDB: ============== END OF LOAD BALANCING =============== 4540.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4540.5 PRESSURE: 1432400 -17.7069 8.24153 -80.0569 8.24118 176.763 102.854 -80.057 102.854 127.745 GPRESSURE: 1432400 -14.2985 2.06262 -143.32 52.1434 262.315 105.911 216.123 81 134.625 PRESSAVG: 1432400 -70.3556 -27.6096 -12.431 -27.6096 44.0384 11.8608 -12.4309 11.8608 -13.1479 GPRESSAVG: 1432400 -69.7088 -28.058 -13.3734 -28.9933 43.5694 13.7076 -11.074 10.4595 -13.6912 TIMING: 1432400 CPU: 4528.29, 0.00325131/step Wall: 4528.29, 0.00325131/step, 3.22205 hours remaining, 233.496094 MB of memory in use. ENERGY: 1432400 3907.1780 20599.2857 14493.8923 245.2692 -203497.4737 2788.0432 0.0000 0.0000 52102.6320 -109361.1733 299.4345 -161463.8053 -108998.8504 299.9618 95.6003 127.5470 761158.6766 -13.1550 -13.2769 PRESSURE: 1432600 62.8623 -70.2164 -27.2555 -70.2159 9.13295 80.5661 -27.2552 80.5667 215.088 GPRESSURE: 1432600 82.2255 11.4881 -79.3309 25.1994 76.2826 35.5881 -9.95828 8.55585 221.753 PRESSAVG: 1432600 -20.15 -53.6797 -28.9655 -53.6797 66.4143 -11.1621 -28.9654 -11.1621 12.5805 GPRESSAVG: 1432600 -18.1582 -54.2329 -27.9689 -50.8325 64.7284 -11.3122 -29.0423 -12.4284 12.376 TIMING: 1432600 CPU: 4528.92, 0.00316775/step Wall: 4528.92, 0.00316775/step, 3.13906 hours remaining, 233.699219 MB of memory in use. ENERGY: 1432600 4036.6290 20630.2097 14458.0115 256.8667 -203337.2610 2648.4522 0.0000 0.0000 51999.0341 -109308.0578 298.8392 -161307.0919 -108947.3066 299.9759 95.6945 126.7537 761725.6961 19.6150 19.6487 PRESSURE: 1432800 -97.035 -178.595 279.054 -178.594 -40.1021 -46.4176 279.055 -46.4172 73.957 GPRESSURE: 1432800 -56.0958 -169.829 226.828 -197.719 18.3315 -25.1874 174.29 -35.1847 80.1945 PRESSAVG: 1432800 -49.2807 -51.5245 14.4211 -51.5245 60.4351 20.6687 14.4211 20.6686 13.606 GPRESSAVG: 1432800 -51.0469 -49.9776 15.1151 -53.0109 60.7849 19.5054 12.8216 22.7726 14.3827 TIMING: 1432800 CPU: 4529.56, 0.00318267/step Wall: 4529.56, 0.00318267/step, 3.15367 hours remaining, 233.699219 MB of memory in use. ENERGY: 1432800 3887.0232 20620.3377 14452.6858 244.8186 -203872.9233 2974.1211 0.0000 0.0000 52313.8246 -109380.1122 300.6483 -161693.9368 -109012.3915 299.8712 -21.0601 14.1434 760854.5015 8.2534 8.0402 PRESSURE: 1433000 -150.805 71.9312 -73.7273 71.9306 32.5252 163.722 -73.7281 163.723 413.761 GPRESSURE: 1433000 -84.9568 78.7727 -45.977 41.4077 110.261 169.845 -40.3866 158.245 376.269 PRESSAVG: 1433000 -29.1014 -16.8579 3.83284 -16.8578 57.2298 33.9131 3.83286 33.9132 -7.17751 GPRESSAVG: 1433000 -28.1738 -17.0005 3.34054 -17.4577 56.7453 35.9998 2.79287 31.8995 -7.76761 TIMING: 1433000 CPU: 4530.19, 0.00318104/step Wall: 4530.19, 0.00318104/step, 3.15188 hours remaining, 233.699219 MB of memory in use. ENERGY: 1433000 4054.6311 20667.2006 14462.0378 242.7228 -203968.3541 2978.0309 0.0000 0.0000 52197.4400 -109366.2910 299.9794 -161563.7309 -109003.3914 300.0032 98.4938 133.8579 760145.8634 6.9836 6.9346 PRESSURE: 1433200 -310.911 -99.8411 38.6353 -99.8409 82.6978 64.3946 38.6354 64.3936 -32.5329 GPRESSURE: 1433200 -259.616 -67.6526 96.6921 -69.6257 69.7553 58.1998 75.6791 67.5106 14.5837 PRESSAVG: 1433200 -26.6372 -46.1025 6.41509 -46.1026 29.5095 6.73257 6.41502 6.73251 3.56949 GPRESSAVG: 1433200 -26.9652 -46.4739 6.35553 -43.2372 28.4503 4.79129 8.77679 8.2847 4.77126 TIMING: 1433200 CPU: 4530.82, 0.00313971/step Wall: 4530.82, 0.00313971/step, 3.11075 hours remaining, 233.699219 MB of memory in use. ENERGY: 1433200 4056.0061 20510.9288 14562.7468 258.4756 -203438.5517 2676.0642 0.0000 0.0000 52189.3744 -109184.9558 299.9331 -161374.3302 -108810.7394 299.5603 -86.9155 -58.4257 761862.6103 2.1473 2.0854 PRESSURE: 1433400 -19.5107 163.277 42.5336 163.277 -86.1487 41.4633 42.5343 41.4642 -230.696 GPRESSURE: 1433400 -72.5277 148.255 -0.0875617 147.003 6.00514 72.6765 17.2386 -11.1136 -194.82 PRESSAVG: 1433400 -77.6069 -18.6074 16.0895 -18.6074 34.5864 33.7973 16.0895 33.7973 2.16895 GPRESSAVG: 1433400 -76.7734 -19.6389 16.2172 -20.8975 35.8844 34.4328 16.3811 34.5681 -0.463044 TIMING: 1433400 CPU: 4531.45, 0.00317033/step Wall: 4531.45, 0.00317033/step, 3.14092 hours remaining, 233.699219 MB of memory in use. ENERGY: 1433400 3952.2888 20526.5873 14499.2274 233.2167 -203187.5970 2413.6603 0.0000 0.0000 52259.2275 -109303.3890 300.3345 -161562.6166 -108936.1403 299.8688 -112.1186 -87.1142 761769.4072 -13.6172 -13.7840 PRESSURE: 1433600 -142.764 -143.322 -86.2265 -143.323 -21.8246 -7.19447 -86.2265 -7.19442 -62.2645 GPRESSURE: 1433600 -137.3 -119.595 -49.9551 -159.686 -34.799 22.5647 -35.8934 -76.4196 24.9314 PRESSAVG: 1433600 -64.0717 -5.78671 -43.0252 -5.78673 55.6248 26.1768 -43.0252 26.1768 -11.9714 GPRESSAVG: 1433600 -64.5862 -4.50813 -43.4869 -7.00757 55.1076 27.1801 -42.1835 23.743 -11.4836 TIMING: 1433600 CPU: 4532.09, 0.00319043/step Wall: 4532.09, 0.00319043/step, 3.16065 hours remaining, 233.699219 MB of memory in use. ENERGY: 1433600 3896.4447 20751.1358 14513.9296 246.5485 -203158.0976 2649.5695 0.0000 0.0000 52186.8374 -108913.6321 299.9185 -161100.4695 -108545.5247 299.9250 -75.6176 -49.0559 762468.5917 -6.8061 -6.9874 PRESSURE: 1433800 146.669 27.3288 75.7478 27.3302 170.644 129.13 75.748 129.129 127.999 GPRESSURE: 1433800 179.232 106.839 83.8581 95.9366 181.751 116.274 42.1423 150.054 157.772 PRESSAVG: 1433800 -30.8854 3.56501 -26.7682 3.56495 47.0397 -38.3663 -26.7683 -38.3662 -30.3996 GPRESSAVG: 1433800 -31.0679 3.53093 -26.7532 4.69129 47.1675 -37.5159 -26.6029 -39.344 -30.4637 TIMING: 1433800 CPU: 4532.72, 0.00315726/step Wall: 4532.72, 0.00315726/step, 3.12762 hours remaining, 233.699219 MB of memory in use. ENERGY: 1433800 3900.5766 20580.0562 14501.4243 234.2010 -203290.3243 2574.5061 0.0000 0.0000 52373.7086 -109125.8515 300.9924 -161499.5601 -108753.1080 300.0919 148.4374 172.9184 761570.1116 -4.7484 -4.7881 PRESSURE: 1434000 153.996 181.67 -83.5646 181.67 -21.5594 185.763 -83.5654 185.763 21.5705 GPRESSURE: 1434000 227.651 84.0448 -99.1899 245.332 -6.74926 242.387 -1.30867 198.164 32.7674 PRESSAVG: 1434000 -16.4745 13.1303 36.7084 13.1303 40.1141 -16.1037 36.7084 -16.1037 12.2857 GPRESSAVG: 1434000 -16.3811 13.1137 36.06 13.1066 40.1393 -17.5131 35.6226 -17.0005 11.9405 TIMING: 1434000 CPU: 4533.36, 0.00315714/step Wall: 4533.36, 0.00315714/step, 3.12732 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: 1434000 3963.5343 20646.1122 14548.6541 262.0572 -203538.4011 2580.9803 0.0000 0.0000 52202.7277 -109334.3352 300.0098 -161537.0629 -108963.4113 300.0136 51.3359 84.5565 760864.6864 11.9751 11.8996 PRESSURE: 1434200 206.02 42.5466 60.9416 42.5461 118.434 -47.8576 60.9411 -47.8582 148.393 GPRESSURE: 1434200 206.659 25.4034 45.362 -16.7082 168.795 -72.5543 18.996 -57.4502 181.325 PRESSAVG: 1434200 -6.06265 -7.02306 53.84 -7.02313 -4.52157 27.0728 53.8401 27.0728 -18.4686 GPRESSAVG: 1434200 -6.0437 -9.08884 55.8216 -6.53565 -4.84244 27.6487 54.3531 30.3185 -18.3752 TIMING: 1434200 CPU: 4533.99, 0.00316518/step Wall: 4533.99, 0.00316518/step, 3.13511 hours remaining, 233.699219 MB of memory in use. ENERGY: 1434200 3965.9790 20420.8303 14546.8785 245.5757 -203478.6931 3012.4739 0.0000 0.0000 51963.5143 -109323.4415 298.6350 -161286.9558 -108966.9337 299.9026 157.6157 185.5932 763724.3656 -9.6843 -9.7538 PRESSURE: 1434400 210.645 -17.3417 -77.8749 -17.3423 -238.552 -293.07 -77.8741 -293.071 -222.899 GPRESSURE: 1434400 155.008 -52.4908 -76.6974 -39.9382 -135.76 -222.914 -13.8643 -202.46 -175.813 PRESSAVG: 1434400 20.3526 4.16131 -29.0254 4.16129 -25.7961 21.4511 -29.0254 21.4512 -20.5213 GPRESSAVG: 1434400 18.7192 5.51832 -30.2611 1.9749 -25.2736 21.335 -27.9693 21.1299 -19.3649 TIMING: 1434400 CPU: 4534.62, 0.00315918/step Wall: 4534.62, 0.00315918/step, 3.12899 hours remaining, 233.699219 MB of memory in use. ENERGY: 1434400 3994.4831 20503.9739 14513.0821 245.9444 -203527.3885 2666.6904 0.0000 0.0000 52210.9010 -109392.3136 300.0568 -161603.2146 -109012.9040 299.5496 -83.6022 -52.1884 762858.3207 -8.6549 -8.6398 PRESSURE: 1434600 -145.314 -18.8126 -61.1664 -18.8122 138.528 78.2451 -61.1659 78.2444 332.224 GPRESSURE: 1434600 -92.3215 -157.891 -56.7665 94.5186 112.687 127.064 -132.457 62.8378 392.326 PRESSAVG: 1434600 34.781 -10.9957 4.45405 -10.9957 -55.2009 -9.67958 4.45408 -9.67959 2.79193 GPRESSAVG: 1434600 35.6994 -11.3362 5.37444 -9.32966 -54.8152 -9.37645 2.77773 -9.82154 1.17897 TIMING: 1434600 CPU: 4535.25, 0.00314871/step Wall: 4535.25, 0.00314871/step, 3.11845 hours remaining, 233.699219 MB of memory in use. ENERGY: 1434600 3967.1767 20507.0003 14559.1368 229.0639 -203197.6611 2679.0636 0.0000 0.0000 51885.0435 -109371.1763 298.1841 -161256.2198 -109010.4121 299.0412 108.4794 137.5638 762265.4386 -5.8760 -5.9789 PRESSURE: 1434800 376.458 7.35605 146.956 7.35671 13.9505 218.439 146.956 218.44 162.584 GPRESSURE: 1434800 401.038 -49.992 70.4582 -78.0878 155.461 262.601 184.579 306.5 78.4147 PRESSAVG: 1434800 12.3389 30.7821 14.4525 30.7822 -15.1336 7.0251 14.4525 7.02498 -10.7579 GPRESSAVG: 1434800 12.0232 30.041 12.5589 30.8893 -15.9609 5.70655 14.1021 7.73798 -10.2486 TIMING: 1434800 CPU: 4535.88, 0.00317246/step Wall: 4535.88, 0.00317246/step, 3.14179 hours remaining, 233.699219 MB of memory in use. ENERGY: 1434800 4007.9906 20419.1348 14430.5550 244.4036 -203270.3131 2788.8871 0.0000 0.0000 52011.5197 -109367.8223 298.9109 -161379.3420 -109003.8589 298.8752 184.3308 211.6378 762719.9538 -4.5175 -4.7288 PRESSURE: 1435000 -657.037 106.885 -38.2834 106.885 -340.848 -235.276 -38.2836 -235.276 -475.853 GPRESSURE: 1435000 -529.783 140.816 26.4797 171.516 -430.805 -189.342 -152.109 -214.507 -429.81 PRESSAVG: 1435000 -37.5786 25.4551 -22.2122 25.4551 58.098 16.5962 -22.2122 16.5962 19.5614 GPRESSAVG: 1435000 -36.8503 27.6774 -20.7732 24.088 58.1371 16.9506 -21.6735 15.4365 18.8515 TIMING: 1435000 CPU: 4536.51, 0.00312513/step Wall: 4536.51, 0.00312513/step, 3.09474 hours remaining, 233.699219 MB of memory in use. ENERGY: 1435000 4101.9262 20586.8900 14425.4332 260.0844 -203113.3428 2371.8129 0.0000 0.0000 51920.5637 -109446.6324 298.3882 -161367.1961 -109081.2959 299.0714 -491.2459 -463.4658 763190.7920 13.3602 13.3794 PRESSURE: 1435200 -300.346 -17.6101 -42.3702 -17.6096 -99.1007 125.103 -42.3703 125.103 112.179 GPRESSURE: 1435200 -287.015 -44.4678 -93.7923 -87.2008 -28.6772 105.303 -14.5043 262.76 117.759 PRESSAVG: 1435200 -35.3591 37.0678 -10.7293 37.0678 26.9323 -2.27456 -10.7293 -2.27463 -14.656 GPRESSAVG: 1435200 -36.9574 34.7344 -11.4931 39.2873 28.2088 -0.74264 -10.7595 -3.68541 -14.2996 TIMING: 1435200 CPU: 4537.13, 0.00312221/step Wall: 4537.13, 0.00312221/step, 3.09168 hours remaining, 233.699219 MB of memory in use. ENERGY: 1435200 3968.4875 20588.2135 14506.4601 230.2921 -203427.6091 2773.2137 0.0000 0.0000 51951.9520 -109408.9903 298.5686 -161360.9423 -109053.4270 298.5783 -95.7560 -65.9777 760557.6366 -7.6943 -7.6827 PRESSURE: 1435400 62.0856 195.52 -80.1789 195.519 122.829 30.0253 -80.1794 30.0263 521.781 GPRESSURE: 1435400 206.805 270.011 -20.4066 193.645 187.336 42.1449 -164.742 79.8477 387.746 PRESSAVG: 1435400 14.4343 11.4278 9.83364 11.4278 -13.7305 43.1024 9.83368 43.1024 -7.90572 GPRESSAVG: 1435400 15.586 13.8661 11.3683 8.66904 -14.0605 42.5711 8.19787 44.2411 -7.9234 TIMING: 1435400 CPU: 4537.76, 0.00313684/step Wall: 4537.76, 0.00313684/step, 3.10599 hours remaining, 233.832031 MB of memory in use. ENERGY: 1435400 3943.4996 20685.2656 14536.3935 241.4942 -203556.1374 2883.3130 0.0000 0.0000 52147.7670 -109118.4045 299.6939 -161266.1715 -108756.9800 299.6032 235.5651 260.6289 761241.9781 -2.4006 -2.1327 PRESSURE: 1435600 -451.228 -40.6762 40.1048 -40.6759 -306.109 -94.0006 40.1044 -94.0011 -275.473 GPRESSURE: 1435600 -424.334 -85.9327 -74.7044 -60.4624 -330.619 -129.125 74.0501 -152.692 -206.075 PRESSAVG: 1435600 -45.725 -38.4084 39.9355 -38.4084 31.7437 -17.5119 39.9355 -17.5119 -19.2781 GPRESSAVG: 1435600 -45.0734 -40.7372 37.8028 -36.0539 30.6409 -18.7766 43.0243 -16.1974 -19.0266 TIMING: 1435600 CPU: 4538.39, 0.00315121/step Wall: 4538.39, 0.00315121/step, 3.12005 hours remaining, 233.832031 MB of memory in use. ENERGY: 1435600 3882.7292 20735.5358 14522.0721 230.0761 -203133.0692 2258.8289 0.0000 0.0000 52208.9550 -109294.8719 300.0456 -161503.8270 -108946.3100 299.7619 -344.2698 -320.3427 762719.4976 -11.0865 -11.1531 PRESSURE: 1435800 -234.888 -28.0916 -158.156 -28.0927 -276.959 170.322 -158.157 170.322 -39.3621 GPRESSURE: 1435800 -166.134 -105.918 -172.698 29.798 -227.619 140.031 -249.532 138.011 -78.8121 PRESSAVG: 1435800 3.61729 -3.2105 4.36339 -3.2105 -12.901 20.7308 4.36344 20.7308 -2.0171 GPRESSAVG: 1435800 2.92865 -2.6263 4.67124 -5.00641 -12.3408 19.6874 2.53552 19.6476 -2.21599 TIMING: 1435800 CPU: 4539.02, 0.00316052/step Wall: 4539.02, 0.00316052/step, 3.12909 hours remaining, 233.832031 MB of memory in use. ENERGY: 1435800 3963.1031 20583.3438 14455.1178 267.1364 -203114.3808 2363.1896 0.0000 0.0000 52153.0013 -109329.4888 299.7240 -161482.4901 -108974.7007 299.7159 -183.7363 -157.5217 761368.0583 -3.7669 -3.8760 PRESSURE: 1436000 46.6247 221.682 202.024 221.681 311.131 -20.328 202.024 -20.3276 261.421 GPRESSURE: 1436000 -14.9791 208.992 215.998 248.175 394.064 -45.8801 70.3395 11.7694 332.213 PRESSAVG: 1436000 -4.03125 -16.5528 3.93829 -16.5528 43.9284 5.09087 3.93827 5.09087 -10.2213 GPRESSAVG: 1436000 -4.59738 -18.0929 6.39394 -14.8688 43.7592 7.00272 1.9362 4.52387 -9.8267 TIMING: 1436000 CPU: 4539.66, 0.00318049/step Wall: 4539.66, 0.00318049/step, 3.14869 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: 1436000 3938.9423 20355.5185 14519.4593 277.6219 -203694.5415 2943.9800 0.0000 0.0000 52366.3965 -109292.6231 300.9504 -161659.0196 -108929.1076 299.5560 206.3922 237.0994 763164.2474 9.8920 9.7784 PRESSURE: 1436200 -271.711 193.819 -117.266 193.82 -170.45 78.6123 -117.265 78.6122 8.87739 GPRESSURE: 1436200 -184.374 153.243 -141.288 149.534 -168.735 67.9069 -126.52 109.411 -18.8264 PRESSAVG: 1436200 12.4839 -4.05941 -58.1874 -4.05938 18.8113 4.28538 -58.1874 4.28545 -10.2457 GPRESSAVG: 1436200 14.2305 -3.43831 -59.1071 -4.74207 18.8512 4.67986 -55.573 7.72206 -12.1528 TIMING: 1436200 CPU: 4540.29, 0.00316913/step Wall: 4540.29, 0.00316913/step, 3.13727 hours remaining, 233.832031 MB of memory in use. ENERGY: 1436200 4020.1861 20664.4090 14503.8791 232.5052 -203549.9870 2719.9059 0.0000 0.0000 52348.9626 -109060.1392 300.8502 -161409.1019 -108695.8214 299.6074 -144.4278 -123.9784 761674.6018 7.0165 6.9763 LDB: ============= START OF LOAD BALANCING ============== 4552.83 LDB: ============== END OF LOAD BALANCING =============== 4552.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4552.83 LDB: ============= START OF LOAD BALANCING ============== 4553.15 LDB: Largest compute 7037 load 0.033312 is 17.0% of average load 0.195425 LDB: Average compute 0.004373 is 2.2% of average load 0.195425 LDB: TIME 4553.15 LOAD: AVG 0.195425 MAX 0.215015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.59 MB LDB: TIME 4553.15 LOAD: AVG 0.195425 MAX 0.215015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: TIME 4553.15 LOAD: AVG 0.195425 MAX 0.215015 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.59 MB LDB: ============== END OF LOAD BALANCING =============== 4553.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4553.16 PRESSURE: 1436400 95.4346 -17.0075 37.5739 -17.0063 48.5523 0.863138 37.5734 0.863577 -113.354 GPRESSURE: 1436400 100.636 9.92877 42.0603 45.3794 128.075 -14.3873 20.0087 -107.495 -108.754 PRESSAVG: 1436400 -9.30235 25.6662 3.62576 25.6662 13.0153 50.9012 3.62578 50.9013 7.24012 GPRESSAVG: 1436400 -8.75377 23.3639 3.10628 26.5737 11.7808 50.6572 2.12087 50.4493 8.17647 TIMING: 1436400 CPU: 4540.94, 0.00323037/step Wall: 4540.94, 0.00323037/step, 3.19771 hours remaining, 234.394531 MB of memory in use. ENERGY: 1436400 3978.2370 20482.5530 14585.4987 254.0193 -203666.3774 3020.7641 0.0000 0.0000 52021.3056 -109323.9998 298.9672 -161345.3054 -108966.4276 299.4749 10.2111 39.9854 761105.7380 3.6510 3.7345 PRESSURE: 1436600 137.303 -141.077 192.804 -141.077 -120.678 79.7711 192.804 79.7699 53.4979 GPRESSURE: 1436600 81.8186 -174.625 153.541 -198.478 53.8098 126.676 148.913 75.8621 -6.96139 PRESSAVG: 1436600 -29.4539 5.47625 14.6017 5.47627 24.466 20.9833 14.6018 20.9832 -1.68069 GPRESSAVG: 1436600 -30.6284 7.4774 13.0525 3.3312 26.6964 21.8957 16.0534 19.4343 -2.43153 TIMING: 1436600 CPU: 4541.58, 0.00317844/step Wall: 4541.58, 0.00317844/step, 3.14612 hours remaining, 234.460938 MB of memory in use. ENERGY: 1436600 4039.9143 20589.4308 14519.4198 247.9215 -203171.5397 2552.0597 0.0000 0.0000 51962.1686 -109260.6252 298.6273 -161222.7937 -108902.1173 298.8935 23.3742 42.8890 762542.4091 -2.2229 -2.1212 PRESSURE: 1436800 -56.6605 117.597 76.5812 117.596 161.749 32.2404 76.5815 32.2407 -58.5981 GPRESSURE: 1436800 -41.8875 9.6276 84.7245 171.477 186.481 44.5431 7.46083 62.8403 -23.5016 PRESSAVG: 1436800 -15.1379 -43.2642 -8.47539 -43.2641 10.2073 1.74723 -8.47535 1.74727 -7.89071 GPRESSAVG: 1436800 -14.8927 -42.6024 -7.11322 -42.321 9.68197 1.92283 -8.09854 1.22382 -7.71934 TIMING: 1436800 CPU: 4542.21, 0.00315465/step Wall: 4542.21, 0.00315465/step, 3.12241 hours remaining, 234.460938 MB of memory in use. ENERGY: 1436800 3973.3464 20479.3744 14518.7097 223.6045 -203622.9450 2751.2251 0.0000 0.0000 52315.7943 -109360.8907 300.6596 -161676.6850 -108993.5989 299.3190 15.4968 40.3641 762145.5830 -4.2738 -4.3100 PRESSURE: 1437000 -109.972 -84.0241 -40.5471 -84.0237 -12.7963 29.6898 -40.5466 29.6904 218.144 GPRESSURE: 1437000 -44.9182 -115.972 -14.48 -77.0212 81.7796 0.418133 -91.1713 -16.0886 142.552 PRESSAVG: 1437000 79.7792 -21.7499 -6.90677 -21.7499 -33.9621 -25.2256 -6.9068 -25.2256 5.51633 GPRESSAVG: 1437000 81.2032 -21.6748 -7.66323 -21.5024 -35.6586 -26.9707 -7.68725 -24.6971 6.34338 TIMING: 1437000 CPU: 4542.84, 0.0031483/step Wall: 4542.84, 0.0031483/step, 3.11594 hours remaining, 234.460938 MB of memory in use. ENERGY: 1437000 3957.5538 20513.8868 14487.4430 245.6195 -203552.3208 3012.7113 0.0000 0.0000 52042.7232 -109292.3831 299.0902 -161335.1063 -108912.1175 299.5401 31.7921 59.8043 763151.0962 17.1111 17.2960 PRESSURE: 1437200 152.552 131.288 25.2007 131.288 124.368 47.8941 25.2015 47.8946 59.6028 GPRESSURE: 1437200 208.154 31.7948 37.1616 20.8614 230.462 -9.02424 -54.0883 109.361 -15.8445 PRESSAVG: 1437200 42.5928 -9.08311 2.28344 -9.08309 -7.19357 -40.5324 2.28349 -40.5324 -2.49272 GPRESSAVG: 1437200 41.8232 -7.64835 3.65473 -10.4813 -4.28808 -39.9799 1.9198 -40.3644 -4.67657 TIMING: 1437200 CPU: 4543.47, 0.0031754/step Wall: 4543.47, 0.0031754/step, 3.14258 hours remaining, 234.460938 MB of memory in use. ENERGY: 1437200 4009.1859 20477.3487 14564.6237 248.6242 -203611.8682 3008.0859 0.0000 0.0000 52004.9916 -109299.0082 298.8734 -161303.9998 -108944.9057 299.3234 112.1742 140.9237 763409.2081 10.9688 10.9528 PRESSURE: 1437400 -315.315 113.752 182.384 113.752 -453.508 307.726 182.384 307.726 -194.931 GPRESSURE: 1437400 -257.522 150.787 94.0571 223.272 -372.858 202.515 136.262 217.522 -249.144 PRESSAVG: 1437400 16.2557 36.7664 16.5029 36.7664 15.2739 13.4198 16.5029 13.4199 14.6414 GPRESSAVG: 1437400 15.1956 34.7261 15.0226 37.7005 15.0541 13.5683 17.5307 13.6743 15.8954 TIMING: 1437400 CPU: 4544.1, 0.00316065/step Wall: 4544.1, 0.00316065/step, 3.12781 hours remaining, 234.460938 MB of memory in use. ENERGY: 1437400 4057.0687 20532.9813 14532.1085 240.2899 -203445.6473 2572.7111 0.0000 0.0000 52130.4458 -109380.0421 299.5944 -161510.4879 -109015.5451 299.3281 -321.2513 -293.1749 763201.3280 15.3903 15.3817 PRESSURE: 1437600 -363.665 20.6709 -84.5004 20.6709 -272.263 313.921 -84.5004 313.921 -240.746 GPRESSURE: 1437600 -264.746 91.5968 -61.9986 61.456 -277.301 339.272 -217.75 251.416 -254.113 PRESSAVG: 1437600 1.9755 32.4901 4.68919 32.4901 -51.4554 26.7141 4.68912 26.714 10.2352 GPRESSAVG: 1437600 3.95315 33.9955 5.20683 32.4743 -52.0694 26.7652 4.945 25.5661 9.43963 TIMING: 1437600 CPU: 4544.73, 0.00315745/step Wall: 4544.73, 0.00315745/step, 3.12447 hours remaining, 234.460938 MB of memory in use. ENERGY: 1437600 4041.5767 20562.3979 14500.5834 254.7989 -203546.6285 2811.8539 0.0000 0.0000 52057.2459 -109318.1719 299.1737 -161375.4177 -108955.0676 299.2049 -292.2245 -265.3867 762943.5150 -13.0816 -12.8922 PRESSURE: 1437800 39.8922 -151.398 -126.997 -151.4 -242.267 -16.6513 -126.997 -16.6514 193.904 GPRESSURE: 1437800 54.9012 -202.198 -188.991 -232.218 -163.472 -126.011 -53.0227 2.23637 183.649 PRESSAVG: 1437800 29.2175 -24.4856 -22.7559 -24.4856 -31.5665 -65.9764 -22.7558 -65.9765 10.3589 GPRESSAVG: 1437800 28.7333 -26.1108 -22.448 -24.1408 -31.6185 -65.2326 -23.8149 -64.6692 10.059 TIMING: 1437800 CPU: 4545.37, 0.0031575/step Wall: 4545.37, 0.0031575/step, 3.12435 hours remaining, 234.460938 MB of memory in use. ENERGY: 1437800 3961.2291 20377.8876 14526.8863 230.9482 -203267.2628 2695.5356 0.0000 0.0000 52153.9823 -109320.7937 299.7297 -161474.7760 -108952.3044 299.5483 -2.8236 25.0261 763166.8453 2.6700 2.3913 PRESSURE: 1438000 55.4116 139.365 135.161 139.365 -474.871 29.838 135.162 29.8378 144.521 GPRESSURE: 1438000 83.3723 30.9042 85.2819 10.5197 -373.248 95.9719 185.837 202.306 86.1197 PRESSAVG: 1438000 28.9525 -48.6466 21.8012 -48.6466 -2.05893 -5.9699 21.8011 -5.96999 18.1942 GPRESSAVG: 1438000 29.1943 -47.7714 20.9594 -48.737 -2.00559 -6.11131 23.1741 -5.55499 17.8595 TIMING: 1438000 CPU: 4546, 0.00315277/step Wall: 4546, 0.00315277/step, 3.11949 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: 1438000 3939.0513 20539.5066 14555.1792 254.5837 -203349.9361 2778.2992 0.0000 0.0000 52009.4617 -109273.8543 298.8991 -161283.3161 -108917.4639 299.4004 -91.6460 -67.9187 764097.2904 15.0293 15.0161 PRESSURE: 1438200 24.9746 149.385 -218.264 149.385 -205.561 13.9631 -218.265 13.9629 135.571 GPRESSURE: 1438200 41.2243 282.412 -248.99 224.472 -125.766 7.42788 -79.5243 25.8805 95.5473 PRESSAVG: 1438200 3.42612 9.8374 28.3468 9.83737 -45.2436 -1.53544 28.3467 -1.53542 -3.87368 GPRESSAVG: 1438200 4.44533 9.60128 28.0405 9.94399 -47.7323 -3.03069 26.6445 -3.28533 -2.61607 TIMING: 1438200 CPU: 4546.63, 0.00315562/step Wall: 4546.63, 0.00315562/step, 3.12214 hours remaining, 234.460938 MB of memory in use. ENERGY: 1438200 3961.1620 20487.5206 14469.7185 250.3928 -203245.6698 2776.8483 0.0000 0.0000 52043.1378 -109256.8897 299.0926 -161300.0275 -108903.0274 299.2979 -15.0051 3.6685 762710.7534 -15.2304 -15.3010 PRESSURE: 1438400 -89.8268 -119.571 -29.2673 -119.572 -204.248 -232.754 -29.2662 -232.755 258.762 GPRESSURE: 1438400 -22.9822 6.15011 -76.5281 -18.3946 -227.418 -143.373 102.33 -179.215 298.635 PRESSAVG: 1438400 8.49015 24.9185 -37.377 24.9185 -10.5186 -29.855 -37.3771 -29.855 35.2956 GPRESSAVG: 1438400 8.29337 26.7541 -37.5287 24.522 -9.61198 -28.5644 -36.3593 -29.6619 34.8816 TIMING: 1438400 CPU: 4547.26, 0.00316242/step Wall: 4547.26, 0.00316242/step, 3.12869 hours remaining, 234.460938 MB of memory in use. ENERGY: 1438400 3933.4833 20587.5103 14524.1480 229.5507 -202992.1921 2481.0501 0.0000 0.0000 52063.0104 -109173.4392 299.2068 -161236.4497 -108817.2526 299.6705 -11.7707 16.0783 764064.4950 11.0890 11.1877 PRESSURE: 1438600 -257.968 -77.6083 84.061 -77.6086 146.16 -104.939 84.0617 -104.937 -107.411 GPRESSURE: 1438600 -261.965 -153.274 91.0205 -55.6783 238.18 -72.9085 -43.3914 -163.354 -134.637 PRESSAVG: 1438600 -0.337768 -18.925 36.9072 -18.925 7.63737 -34.1945 36.9072 -34.1945 14.0079 GPRESSAVG: 1438600 -1.28986 -20.1888 37.9628 -18.1282 8.19262 -35.8829 32.8839 -33.8964 14.454 TIMING: 1438600 CPU: 4547.89, 0.00316347/step Wall: 4547.89, 0.00316347/step, 3.12955 hours remaining, 234.449219 MB of memory in use. ENERGY: 1438600 3956.9371 20583.9369 14508.1424 230.4064 -203148.4479 2571.1681 0.0000 0.0000 52048.2159 -109249.6413 299.1218 -161297.8571 -108884.8290 299.3764 -73.0730 -52.8074 763401.2414 7.1025 7.1189 PRESSURE: 1438800 214.195 55.6884 -73.7391 55.6875 324.854 34.4912 -73.7384 34.4911 33.4668 GPRESSURE: 1438800 257.433 62.7114 14.6882 -21.2609 309.269 -23.2771 -35.618 71.7891 81.8007 PRESSAVG: 1438800 -61.8931 -19.4376 -3.98922 -19.4375 20.3723 -21.7608 -3.98924 -21.7608 3.33369 GPRESSAVG: 1438800 -62.1626 -20.6026 -5.26782 -21.0252 20.2194 -20.9849 -1.35093 -19.6586 3.69289 TIMING: 1438800 CPU: 4548.52, 0.00315327/step Wall: 4548.52, 0.00315327/step, 3.11928 hours remaining, 234.449219 MB of memory in use. ENERGY: 1438800 3929.9860 20529.0214 14536.1532 245.3151 -203338.8908 2940.6985 0.0000 0.0000 52174.5228 -108983.1938 299.8477 -161157.7166 -108616.6485 299.5785 190.8388 216.1674 764098.8705 -12.7291 -12.7501 PRESSURE: 1439000 -480.158 223.589 61.4095 223.588 -171.103 68.3971 61.4083 68.3963 -350.309 GPRESSURE: 1439000 -373.774 228.25 81.4142 158.832 -210.435 57.0631 57.5691 42.6197 -349.297 PRESSAVG: 1439000 -32.3166 10.4184 14.7103 10.4185 17.5695 -21.0034 14.7103 -21.0033 3.29874 GPRESSAVG: 1439000 -32.1858 11.9706 15.2803 11.841 16.935 -20.2945 15.5179 -23.6895 3.96194 TIMING: 1439000 CPU: 4549.15, 0.00315208/step Wall: 4549.15, 0.00315208/step, 3.11793 hours remaining, 234.449219 MB of memory in use. ENERGY: 1439000 4097.3298 20479.8398 14481.9888 250.3830 -203624.1072 2899.0368 0.0000 0.0000 52239.4217 -109176.1074 300.2207 -161415.5291 -108809.7419 299.9856 -333.8567 -311.1690 764535.0990 -3.8161 -3.7630 PRESSURE: 1439200 -66.2135 -42.4848 228.163 -42.4854 -173.849 -186.709 228.163 -186.708 69.4644 GPRESSURE: 1439200 -69.1686 -44.1185 196.324 -124.403 -195.843 -172.418 175.265 -101.58 143.629 PRESSAVG: 1439200 -31.1588 -41.6329 23.295 -41.633 44.697 -29.9569 23.295 -29.9569 4.07935 GPRESSAVG: 1439200 -30.7542 -42.1333 21.2944 -43.0701 44.6264 -29.4748 22.6648 -29.3013 3.63326 TIMING: 1439200 CPU: 4549.78, 0.0031435/step Wall: 4549.78, 0.0031435/step, 3.10927 hours remaining, 234.449219 MB of memory in use. ENERGY: 1439200 4069.7636 20448.3013 14525.2768 251.0089 -203170.2530 2612.9449 0.0000 0.0000 51905.6223 -109357.3352 298.3023 -161262.9574 -108988.6049 299.4335 -56.8659 -40.4606 763024.8400 5.8725 5.8351 PRESSURE: 1439400 95.0937 88.6362 -58.7374 88.6352 157.453 32.8777 -58.7378 32.8772 -145.296 GPRESSURE: 1439400 126.534 92.7895 -139.206 178.665 199.147 68.0503 -204.043 4.58448 -124.488 PRESSAVG: 1439400 -2.81225 20.1969 -5.03635 20.1969 22.3503 23.0322 -5.03634 23.0322 0.968839 GPRESSAVG: 1439400 -2.4711 18.5049 -4.04546 21.4969 22.9349 23.9919 -4.91295 21.6661 0.298369 TIMING: 1439400 CPU: 4550.41, 0.00314422/step Wall: 4550.41, 0.00314422/step, 3.10981 hours remaining, 234.449219 MB of memory in use. ENERGY: 1439400 4003.9375 20499.7072 14532.2153 227.3202 -204077.9730 3143.9048 0.0000 0.0000 52213.6160 -109457.2720 300.0724 -161670.8880 -109090.8827 298.9150 35.7501 67.0642 760504.2562 6.8356 6.9207 PRESSURE: 1439600 348.758 -214.66 -115.268 -214.66 -141.007 97.0161 -115.268 97.0165 -20.0539 GPRESSURE: 1439600 408.175 -81.26 -81.2403 -180.17 -110.439 152.107 -40.8317 157.157 -24.5481 PRESSAVG: 1439600 22.8031 -60.851 -10.8511 -60.8511 -4.4234 60.9599 -10.8511 60.9599 11.0769 GPRESSAVG: 1439600 21.1746 -58.1926 -9.94693 -61.57 -3.00722 59.4068 -11.0485 61.4856 12.0056 TIMING: 1439600 CPU: 4551.04, 0.00313952/step Wall: 4551.04, 0.00313952/step, 3.10499 hours remaining, 234.449219 MB of memory in use. ENERGY: 1439600 3959.8513 20524.3258 14524.4893 242.4544 -203436.0525 2882.0086 0.0000 0.0000 51873.4953 -109429.4279 298.1177 -161302.9232 -109068.6299 299.0194 62.5657 91.0624 762434.9399 9.8189 10.0576 PRESSURE: 1439800 137.016 -97.6801 -181.933 -97.6792 -313.335 259.679 -181.934 259.679 -56.6875 GPRESSURE: 1439800 191.928 59.0539 -216.275 -235.36 -272.369 249.131 -188.827 141.306 -46.656 PRESSAVG: 1439800 69.4158 -43.515 30.4262 -43.5149 -27.5968 78.8207 30.4262 78.8208 1.75909 GPRESSAVG: 1439800 70.6317 -44.0876 30.2214 -44.6464 -28.3148 80.1837 30.702 78.405 0.969962 TIMING: 1439800 CPU: 4551.67, 0.00314993/step Wall: 4551.67, 0.00314993/step, 3.11511 hours remaining, 234.449219 MB of memory in use. ENERGY: 1439800 3994.1935 20565.0535 14514.7907 239.1118 -203258.8469 2514.0758 0.0000 0.0000 52030.6050 -109401.0165 299.0206 -161431.6215 -109040.1232 298.8314 -77.6689 -42.3659 763462.2637 14.5260 14.4289 PRESSURE: 1440000 -13.4922 -158.119 72.3878 -158.12 -71.8105 10.0806 72.3871 10.0805 -182.12 GPRESSURE: 1440000 62.3206 -59.7942 67.6521 -39.4976 -6.43417 38.0583 170.115 -105.24 -222.162 PRESSAVG: 1440000 15.2583 -49.0801 11.236 -49.0802 16.7815 20.2441 11.236 20.2441 -21.3419 GPRESSAVG: 1440000 14.5566 -51.5356 10.2635 -44.8999 17.6592 17.3976 10.2784 22.0187 -21.0371 TIMING: 1440000 CPU: 4552.3, 0.00315958/step Wall: 4552.3, 0.00315958/step, 3.12447 hours remaining, 234.449219 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: 1440000 3982.6925 20511.5560 14434.3408 259.1468 -203008.3601 2449.5257 0.0000 0.0000 52027.5649 -109343.5335 299.0031 -161371.0984 -108975.6632 298.9652 -89.1410 -55.4252 763670.4723 3.5659 3.7262 PRESSURE: 1440200 -409.52 148.698 35.9522 148.699 -242.361 265.649 35.9522 265.647 32.7374 GPRESSURE: 1440200 -269.184 169.412 -6.70561 152.556 -355.538 238.447 88.7434 258.964 70.8384 PRESSAVG: 1440200 -90.971 30.4581 31.6781 30.4581 29.1407 28.4058 31.6782 28.4058 -0.415818 GPRESSAVG: 1440200 -90.1589 31.8315 33.0561 28.9554 28.1694 29.5113 32.7386 29.1025 -0.51704 TIMING: 1440200 CPU: 4552.93, 0.00315165/step Wall: 4552.93, 0.00315165/step, 3.11646 hours remaining, 234.449219 MB of memory in use. ENERGY: 1440200 3928.3357 20415.0563 14588.1793 243.4263 -202896.8791 2354.7927 0.0000 0.0000 52132.6427 -109234.4460 299.6070 -161367.0888 -108867.6922 298.8816 -206.3812 -184.6279 766082.8903 -20.7487 -20.8355 LDB: ============= START OF LOAD BALANCING ============== 4565.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4565.46 LDB: =============== DONE WITH MIGRATION ================ 4565.46 LDB: ============= START OF LOAD BALANCING ============== 4565.78 LDB: Largest compute 7056 load 0.030656 is 15.7% of average load 0.195594 LDB: Average compute 0.004372 is 2.2% of average load 0.195594 LDB: TIME 4565.78 LOAD: AVG 0.195594 MAX 0.215966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.957 MB LDB: TIME 4565.78 LOAD: AVG 0.195594 MAX 0.215966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: TIME 4565.78 LOAD: AVG 0.195594 MAX 0.215966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.16 MB LDB: ============== END OF LOAD BALANCING =============== 4565.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4565.79 PRESSURE: 1440400 -246.392 -133.351 45.3752 -133.35 -26.1764 -107.483 45.3756 -107.483 -42.0219 GPRESSURE: 1440400 -151.758 -105.381 103.124 -146.356 -26.6616 -102.542 -77.3626 -38.7524 -50.8729 PRESSAVG: 1440400 -15.8464 -1.1411 47.3454 -1.14107 17.7745 -24.5729 47.3454 -24.5729 -21.0085 GPRESSAVG: 1440400 -15.2012 1.69984 45.5565 -5.46371 18.0642 -23.8258 45.113 -24.9413 -21.7126 TIMING: 1440400 CPU: 4553.58, 0.00321902/step Wall: 4553.58, 0.00321902/step, 3.1829 hours remaining, 234.929688 MB of memory in use. ENERGY: 1440400 4046.4469 20748.0173 14551.0084 233.2949 -203418.5122 2868.1275 0.0000 0.0000 51823.5736 -109148.0436 297.8308 -160971.6172 -108792.9291 299.3580 -104.8633 -76.4310 762503.8018 -6.3601 -6.2832 PRESSURE: 1440600 17.6013 117.777 -55.5326 117.777 -87.0494 -57.5779 -55.5331 -57.5776 340.18 GPRESSURE: 1440600 28.0423 191.374 -9.43284 121.586 -50.1923 -28.0021 -44.0172 -33.8805 351.339 PRESSAVG: 1440600 -21.7153 13.2338 41.1807 13.2337 -17.5191 -1.14833 41.1807 -1.14837 6.96921 GPRESSAVG: 1440600 -21.3606 11.0488 43.6303 16.7462 -17.7466 -2.83226 41.5596 0.0549197 7.12783 TIMING: 1440600 CPU: 4554.2, 0.00314208/step Wall: 4554.2, 0.00314208/step, 3.10664 hours remaining, 235.132812 MB of memory in use. ENERGY: 1440600 3971.2015 20621.3261 14489.6841 230.7468 -203460.9373 2744.4659 0.0000 0.0000 52215.5546 -109187.9583 300.0835 -161403.5129 -108831.0344 299.6475 90.2440 109.7298 761869.8309 -10.7551 -10.6598 PRESSURE: 1440800 -29.8551 75.6857 -393.578 75.6848 -220.503 124.377 -393.577 124.377 -145.412 GPRESSURE: 1440800 22.8291 103.781 -337.169 70.2042 -172.037 170.782 -327.86 36.0868 -170.365 PRESSAVG: 1440800 -48.3996 28.7848 -29.501 28.7848 28.7297 18.4482 -29.501 18.4482 21.8721 GPRESSAVG: 1440800 -48.4358 28.5484 -31.9544 26.0646 28.7757 18.9111 -28.2719 18.4101 21.5563 TIMING: 1440800 CPU: 4554.83, 0.00313384/step Wall: 4554.83, 0.00313384/step, 3.09832 hours remaining, 235.261719 MB of memory in use. ENERGY: 1440800 3978.1673 20572.6998 14549.3158 263.4478 -203495.3597 2729.8452 0.0000 0.0000 51991.7791 -109410.1048 298.7975 -161401.8838 -109051.8535 299.1909 -131.9235 -106.5245 763209.5632 0.7341 0.6321 PRESSURE: 1441000 298.708 28.5403 50.5447 28.5401 -391.702 39.2329 50.5445 39.2338 -99.0376 GPRESSURE: 1441000 293.939 -162.528 65.5292 97.1882 -325.245 -2.89821 3.07114 66.5797 -75.5302 PRESSAVG: 1441000 -40.374 -17.5727 -43.9343 -17.5728 72.2208 -19.9624 -43.9343 -19.9624 4.92366 GPRESSAVG: 1441000 -40.8516 -18.7026 -43.6866 -15.8252 71.6185 -17.0044 -42.2865 -21.8261 6.32408 TIMING: 1441000 CPU: 4555.46, 0.00314947/step Wall: 4555.46, 0.00314947/step, 3.1136 hours remaining, 235.261719 MB of memory in use. ENERGY: 1441000 4037.6435 20308.3223 14506.8122 250.1581 -203248.9325 2775.4226 0.0000 0.0000 51931.8832 -109438.6906 298.4532 -161370.5738 -109076.9903 298.5608 -64.0106 -35.6121 762896.7730 12.2568 12.3636 PRESSURE: 1441200 -58.4725 15.4617 -156.335 15.461 66.2905 -190.345 -156.335 -190.345 337.685 GPRESSURE: 1441200 -5.99259 -21.0558 -167.878 -59.1051 59.5971 -173.563 -106.732 -268.387 369.874 PRESSAVG: 1441200 3.21807 -10.9015 -6.73927 -10.9015 8.99234 -23.3737 -6.73926 -23.3738 20.6954 GPRESSAVG: 1441200 2.19108 -10.0798 -4.95632 -10.5617 10.5065 -25.5552 -8.43578 -20.3721 20.6351 TIMING: 1441200 CPU: 4556.09, 0.00316338/step Wall: 4556.09, 0.00316338/step, 3.12717 hours remaining, 235.292969 MB of memory in use. ENERGY: 1441200 4065.3813 20598.9614 14606.3208 246.8933 -203370.4030 2887.8168 0.0000 0.0000 51608.1702 -109356.8592 296.5929 -160965.0294 -109010.1507 298.3817 115.1677 141.1596 764342.7444 10.9686 11.1109 PRESSURE: 1441400 -80.7385 129.921 -121.755 129.921 -8.12881 159.88 -121.754 159.88 -176.138 GPRESSURE: 1441400 39.5835 141.93 -57.477 -1.67599 12.7269 6.57469 -131.987 209.341 -226.789 PRESSAVG: 1441400 -23.209 29.8543 -18.4215 29.8542 48.4058 -30.5768 -18.4215 -30.5769 11.6542 GPRESSAVG: 1441400 -21.7864 28.6567 -17.7408 31.2298 48.0489 -31.6834 -19.4602 -32.5163 11.0555 TIMING: 1441400 CPU: 4556.72, 0.00314243/step Wall: 4556.72, 0.00314243/step, 3.1063 hours remaining, 235.292969 MB of memory in use. ENERGY: 1441400 3997.3032 20415.4929 14629.7652 237.9492 -202922.2309 2648.7235 0.0000 0.0000 51985.9888 -109007.0081 298.7642 -160992.9969 -108640.7976 299.0402 -88.3350 -58.1596 763743.0369 12.2837 12.4393 PRESSURE: 1441600 -329.911 -60.8473 44.0095 -60.8472 129.782 411.623 44.0088 411.623 -257.87 GPRESSURE: 1441600 -253.094 -222.39 -114.476 -39.3862 180.563 390.418 -43.2762 276.708 -292.771 PRESSAVG: 1441600 -25.3443 -16.2989 18.8397 -16.2988 31.8734 -8.67156 18.8398 -8.67155 -26.8773 GPRESSAVG: 1441600 -25.5413 -13.7787 16.1796 -17.2974 32.2673 -7.33211 20.115 -9.01184 -27.1404 TIMING: 1441600 CPU: 4557.35, 0.00315032/step Wall: 4557.35, 0.00315032/step, 3.11392 hours remaining, 235.292969 MB of memory in use. ENERGY: 1441600 3922.8100 20648.9866 14521.0719 254.7587 -203018.9845 2511.8102 0.0000 0.0000 52046.3811 -109113.1660 299.1113 -161159.5470 -108746.0202 299.8518 -152.6662 -121.7672 762638.1501 -6.7827 -6.8048 PRESSURE: 1441800 -10.7458 -192.112 38.4274 -192.113 88.8313 -26.4373 38.4277 -26.4373 67.0374 GPRESSURE: 1441800 59.5032 -257.12 177.965 -147.088 115.646 20.9574 -25.4795 -9.12562 69.5003 PRESSAVG: 1441800 -50.612 -35.2605 56.754 -35.2605 46.385 1.84154 56.754 1.84149 15.075 GPRESSAVG: 1441800 -50.8303 -38.5113 58.5452 -36.9419 46.0694 2.53501 54.8301 3.09371 15.3602 TIMING: 1441800 CPU: 4557.98, 0.00314317/step Wall: 4557.98, 0.00314317/step, 3.10667 hours remaining, 235.292969 MB of memory in use. ENERGY: 1441800 3992.8954 20495.5377 14496.3967 253.6478 -202968.6598 2567.9401 0.0000 0.0000 52144.0102 -109018.2319 299.6723 -161162.2421 -108653.5640 299.7864 48.3743 81.5500 763376.7002 3.6160 3.5331 PRESSURE: 1442000 89.7325 -61.3932 10.9035 -61.3926 -399.811 70.9357 10.904 70.9359 -147.902 GPRESSURE: 1442000 55.5164 -49.5077 93.3492 -7.70079 -288.807 24.7027 35.5162 140.554 -143.537 PRESSAVG: 1442000 22.4249 15.15 9.82013 15.15 -16.3393 39.2279 9.82012 39.2278 -19.3596 GPRESSAVG: 1442000 22.7585 15.8454 10.2655 17.5968 -16.5342 38.4037 10.3206 38.1329 -19.2847 TIMING: 1442000 CPU: 4558.61, 0.00314243/step Wall: 4558.61, 0.00314243/step, 3.10577 hours remaining, 235.292969 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: 1442000 4062.1068 20631.2363 14543.1828 258.0870 -203239.1405 2663.6027 0.0000 0.0000 52143.3278 -108937.5972 299.6684 -161080.9250 -108579.8306 299.8412 -152.6603 -125.6091 762002.5346 -4.4247 -4.3535 PRESSURE: 1442200 274.843 131.177 -3.0703 131.177 -126.74 -112.396 -3.07029 -112.395 123.798 GPRESSURE: 1442200 383.667 144.412 20.2844 86.7791 -91.2261 -83.2125 49.6214 -48.5226 59.615 PRESSAVG: 1442200 16.8075 7.99691 -59.9451 7.99685 -11.7071 -0.724411 -59.9451 -0.724423 11.2728 GPRESSAVG: 1442200 16.1848 7.46838 -60.1393 5.7046 -10.5494 -2.14336 -59.915 1.21659 10.4581 TIMING: 1442200 CPU: 4559.24, 0.00313585/step Wall: 4559.24, 0.00313585/step, 3.09909 hours remaining, 235.292969 MB of memory in use. ENERGY: 1442200 4035.2173 20320.7188 14505.0941 236.9900 -203518.8383 2855.7345 0.0000 0.0000 52121.0269 -109444.0568 299.5403 -161565.0837 -109073.5170 299.5590 90.6338 117.3519 763209.0213 5.4577 5.3645 PRESSURE: 1442400 -72.3238 -42.2853 77.2988 -42.2848 -186.133 -85.2789 77.2993 -85.2789 -414.479 GPRESSURE: 1442400 -95.1991 46.8426 -4.57742 67.0254 -128.402 -87.8509 34.3515 -57.7316 -343.349 PRESSAVG: 1442400 5.41946 -7.07082 48.9789 -7.07081 -25.2198 -28.9581 48.9789 -28.9581 13.8662 GPRESSAVG: 1442400 5.59624 -6.76605 47.4906 -6.5165 -26.3913 -26.9644 49.8109 -28.2412 15.3926 TIMING: 1442400 CPU: 4559.86, 0.00313546/step Wall: 4559.86, 0.00313546/step, 3.09853 hours remaining, 235.292969 MB of memory in use. ENERGY: 1442400 4004.8002 20319.1044 14477.7777 240.5905 -203374.8844 2819.4874 0.0000 0.0000 52150.9964 -109362.1277 299.7125 -161513.1241 -108992.7544 298.9807 -224.3121 -188.9832 762030.8911 -1.9780 -1.8008 PRESSURE: 1442600 -63.5431 -85.1967 232.1 -85.1968 43.4794 242.531 232.099 242.531 -380.597 GPRESSURE: 1442600 -19.6024 -91.4939 176.534 -76.1814 133.175 186.395 71.4436 168.357 -408.73 PRESSAVG: 1442600 -13.15 19.6716 39.1927 19.6716 -23.4567 24.047 39.1927 24.0469 -9.92766 GPRESSAVG: 1442600 -13.2719 18.8416 41.0818 20.404 -22.5047 23.9722 40.8133 23.1087 -10.3778 TIMING: 1442600 CPU: 4560.49, 0.00315282/step Wall: 4560.49, 0.00315282/step, 3.11551 hours remaining, 235.292969 MB of memory in use. ENERGY: 1442600 3962.9280 20423.0856 14491.8906 243.0208 -203086.0847 2398.8831 0.0000 0.0000 51934.9592 -109631.3174 298.4709 -161566.2766 -109263.9490 298.4782 -133.5536 -98.3858 761210.6633 -15.5114 -15.3848 PRESSURE: 1442800 7.70143 38.1936 63.5641 38.1935 -113.213 -127.962 63.5644 -127.963 -43.6232 GPRESSURE: 1442800 84.155 22.0177 17.711 -6.37059 -87.5273 -102.576 53.4436 -101.464 -54.8378 PRESSAVG: 1442800 -0.989238 -20.5692 -2.90051 -20.5693 -10.7905 5.79166 -2.90047 5.79163 -4.77359 GPRESSAVG: 1442800 -1.14969 -18.9763 -4.73272 -21.9961 -11.1545 7.07151 -3.272 5.77791 -4.00224 TIMING: 1442800 CPU: 4561.12, 0.00314615/step Wall: 4561.12, 0.00314615/step, 3.10875 hours remaining, 235.292969 MB of memory in use. ENERGY: 1442800 3927.1206 20521.0868 14530.5012 278.2808 -203350.6443 2638.1310 0.0000 0.0000 51837.2035 -109618.3205 297.9091 -161455.5239 -109256.7664 297.5294 -49.7116 -19.4034 761235.8804 -5.5178 -5.4355 PRESSURE: 1443000 -147.157 -8.13304 -14.5319 -8.13254 -409.699 278.738 -14.5322 278.738 -121.787 GPRESSURE: 1443000 -175.407 -13.6724 -25.0519 -99.0384 -357.722 228.22 -52.5209 227.276 -65.0245 PRESSAVG: 1443000 -51.0759 -26.0632 51.7593 -26.0632 11.7275 -4.37115 51.7593 -4.37124 -23.7367 GPRESSAVG: 1443000 -50.1289 -25.7747 51.8732 -27.7247 11.4501 -7.17108 50.5844 -4.72765 -24.3474 TIMING: 1443000 CPU: 4561.75, 0.00313515/step Wall: 4561.75, 0.00313515/step, 3.0977 hours remaining, 235.292969 MB of memory in use. ENERGY: 1443000 4067.8042 20521.5399 14528.9611 260.0149 -203470.7003 2709.5629 0.0000 0.0000 51792.8895 -109589.9278 297.6544 -161382.8173 -109237.1171 298.5833 -226.2144 -199.3842 762391.2097 -21.0284 -21.0087 PRESSURE: 1443200 -200.822 38.3456 -53.8458 38.3454 -113.844 -253.738 -53.8451 -253.739 -104.015 GPRESSURE: 1443200 -109.205 73.2729 -173.379 10.3383 -170.096 -135.816 -64.5703 -240.116 -40.9647 PRESSAVG: 1443200 22.2529 -22.736 2.76341 -22.736 44.0471 64.0774 2.76338 64.0775 11.35 GPRESSAVG: 1443200 21.6865 -23.667 1.22261 -19.8011 44.3373 63.9897 4.97065 60.9482 11.4145 TIMING: 1443200 CPU: 4562.38, 0.00317344/step Wall: 4562.38, 0.00317344/step, 3.13536 hours remaining, 235.292969 MB of memory in use. ENERGY: 1443200 3961.2057 20601.5697 14467.2701 248.4753 -203186.1772 2282.1697 0.0000 0.0000 51778.3383 -109847.1484 297.5708 -161625.4867 -109486.3605 298.4656 -139.5605 -106.7554 762422.6778 25.8833 25.8128 PRESSURE: 1443400 13.8111 -166.426 89.6853 -166.427 -354.125 93.5575 89.6857 93.5583 -225.196 GPRESSURE: 1443400 -17.4065 -141.496 84.8601 -190.681 -194.97 109.994 130.629 -13.2852 -274.355 PRESSAVG: 1443400 -45.671 -24.7114 47.3666 -24.7114 -17.0629 14.21 47.3667 14.2099 -15.01 GPRESSAVG: 1443400 -44.8832 -23.264 50.4973 -25.0658 -17.5742 13.5671 46.1625 17.872 -15.1511 TIMING: 1443400 CPU: 4563.01, 0.00314769/step Wall: 4563.01, 0.00314769/step, 3.10975 hours remaining, 235.292969 MB of memory in use. ENERGY: 1443400 3957.2675 20489.7912 14562.6918 242.0410 -203242.9302 2536.8589 0.0000 0.0000 51714.1927 -109740.0871 297.2022 -161454.2798 -109382.6271 297.8387 -188.5033 -162.2438 762571.5708 -25.9147 -25.8695 PRESSURE: 1443600 134.716 -131.902 76.7012 -131.902 199.937 -39.7448 76.7018 -39.7445 -543.553 GPRESSURE: 1443600 100.161 -9.12092 26.3692 -138.756 256.173 28.3374 230.75 -22.4059 -466.69 PRESSAVG: 1443600 -43.5144 14.7084 16.442 14.7085 55.0253 27.8384 16.442 27.8384 -9.34965 GPRESSAVG: 1443600 -42.6789 12.8726 14.8864 14.2103 53.8494 28.7015 18.167 28.0985 -9.3986 TIMING: 1443600 CPU: 4563.65, 0.00317318/step Wall: 4563.65, 0.00317318/step, 3.13475 hours remaining, 235.292969 MB of memory in use. ENERGY: 1443600 3998.0543 20623.5096 14472.1516 251.0914 -203447.6114 2708.7584 0.0000 0.0000 51761.8354 -109632.2107 297.4760 -161394.0461 -109273.8448 298.5183 -69.6332 -36.7853 762160.3937 0.7204 0.5906 PRESSURE: 1443800 -204.638 -82.4218 263.468 -82.4209 305.276 40.0284 263.468 40.0278 98.5165 GPRESSURE: 1443800 -192.823 26.5864 149.207 -72.7605 387.89 -41.394 110.139 22.9379 95.7471 PRESSAVG: 1443800 -55.4861 -51.2112 31.5617 -51.2111 32.4229 12.1764 31.5617 12.1764 -16.3734 GPRESSAVG: 1443800 -56.7854 -50.2257 30.769 -49.3245 34.2002 12.0587 30.8303 10.9115 -16.6284 TIMING: 1443800 CPU: 4564.28, 0.00317933/step Wall: 4564.28, 0.00317933/step, 3.14065 hours remaining, 235.292969 MB of memory in use. ENERGY: 1443800 3938.0347 20669.5863 14449.3763 258.1266 -203488.8927 2823.3942 0.0000 0.0000 51840.9319 -109509.4427 297.9305 -161350.3746 -109155.1379 298.6081 66.3848 96.9382 763059.8420 -13.1455 -13.0712 PRESSURE: 1444000 -66.3629 56.7167 137.632 56.7158 170.537 108.74 137.631 108.74 -249.377 GPRESSURE: 1444000 -29.382 47.9071 187.634 -10.4026 141.933 192.115 -22.5232 23.5296 -174.573 PRESSAVG: 1444000 -47.8283 22.1798 31.3063 22.1798 42.0102 88.2804 31.3063 88.2804 7.19741 GPRESSAVG: 1444000 -48.3537 22.5505 32.3939 20.1739 40.8499 87.9008 29.2446 90.0941 8.77011 TIMING: 1444000 CPU: 4564.92, 0.0031705/step Wall: 4564.92, 0.0031705/step, 3.13175 hours remaining, 235.292969 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: 1444000 3972.9033 20509.0526 14463.2479 235.4551 -203286.5830 2559.9965 0.0000 0.0000 52289.0965 -109256.8311 300.5062 -161545.9276 -108894.7091 298.8641 -48.4010 -20.6739 762992.5264 0.4598 0.4221 PRESSURE: 1444200 -262.314 -3.59563 -219.751 -3.5953 -15.425 -98.046 -219.752 -98.0458 95.8295 GPRESSURE: 1444200 -119.875 -51.2495 -165.649 -89.435 -5.2339 -86.7992 -75.0858 -167.772 44.404 PRESSAVG: 1444200 -37.8779 -35.7578 -0.579875 -35.7579 96.8619 17.5496 -0.579817 17.5497 -26.8534 GPRESSAVG: 1444200 -38.7826 -36.3588 -0.105467 -34.7592 98.9491 18.3399 0.261823 13.7004 -27.84 TIMING: 1444200 CPU: 4565.55, 0.00315299/step Wall: 4565.55, 0.00315299/step, 3.11427 hours remaining, 235.292969 MB of memory in use. ENERGY: 1444200 3979.9162 20460.2683 14546.2722 257.0258 -203272.9950 2552.3845 0.0000 0.0000 52031.7497 -109445.3783 299.0272 -161477.1280 -109080.1269 298.9867 -60.6364 -26.9016 762911.6687 10.7102 10.7755 LDB: ============= START OF LOAD BALANCING ============== 4578.08 LDB: ============== END OF LOAD BALANCING =============== 4578.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4578.08 LDB: ============= START OF LOAD BALANCING ============== 4578.4 LDB: Largest compute 7053 load 0.030558 is 15.6% of average load 0.195379 LDB: Average compute 0.004410 is 2.3% of average load 0.195379 LDB: TIME 4578.4 LOAD: AVG 0.195379 MAX 0.217984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.047 MB LDB: TIME 4578.4 LOAD: AVG 0.195379 MAX 0.217984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: TIME 4578.4 LOAD: AVG 0.195379 MAX 0.217984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.25 MB LDB: ============== END OF LOAD BALANCING =============== 4578.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4578.41 PRESSURE: 1444400 109.735 -24.6418 -1.92945 -24.6412 -488.251 -156.655 -1.93007 -156.655 289.183 GPRESSURE: 1444400 130.641 -50.7635 12.7431 -109.794 -412.349 -181.002 -152.131 -182.061 301.119 PRESSAVG: 1444400 -56.5111 -20.9335 38.3085 -20.9335 58.2503 25.0916 38.3085 25.0917 9.62826 GPRESSAVG: 1444400 -56.644 -21.5518 38.0054 -21.977 57.1699 23.7857 37.2109 27.8698 10.61 TIMING: 1444400 CPU: 4566.19, 0.00320865/step Wall: 4566.19, 0.00320865/step, 3.16908 hours remaining, 232.878906 MB of memory in use. ENERGY: 1444400 3965.4293 20515.2922 14487.5171 239.3016 -203662.2068 2791.2784 0.0000 0.0000 52123.7975 -109539.5908 299.5562 -161663.3883 -109175.5079 298.8909 -29.7777 6.4704 762034.9209 3.7892 3.7120 PRESSURE: 1444600 -213.399 38.1331 -115.89 38.1338 -5.04198 -23.5349 -115.889 -23.5354 -2.98954 GPRESSURE: 1444600 -267.998 176.87 -10.3635 101.374 32.7133 -83.7401 -53.324 52.6318 109.736 PRESSAVG: 1444600 -61.5004 -8.65862 61.2586 -8.6586 93.7449 -40.3799 61.2587 -40.3799 5.13666 GPRESSAVG: 1444600 -59.9254 -7.44109 62.1763 -6.54932 92.65 -40.0622 61.3571 -38.9611 3.95038 TIMING: 1444600 CPU: 4566.82, 0.00314194/step Wall: 4566.82, 0.00314194/step, 3.10301 hours remaining, 232.878906 MB of memory in use. ENERGY: 1444600 3890.9980 20539.6686 14586.5039 253.2179 -202998.1813 2262.5475 0.0000 0.0000 52120.0687 -109345.1767 299.5348 -161465.2454 -108980.0130 299.0275 -73.8103 -41.8496 762227.7848 12.4604 12.2250 PRESSURE: 1444800 34.6004 -162.013 175.187 -162.013 -137.398 -163.023 175.186 -163.022 478.891 GPRESSURE: 1444800 102.814 -75.6363 144.539 -199.172 -49.8798 -203.638 81.084 -160.761 419.472 PRESSAVG: 1444800 -51.3726 -5.81525 32.4791 -5.8153 19.26 -6.16212 32.4791 -6.16212 12.6378 GPRESSAVG: 1444800 -53.1958 -7.46074 33.3967 -8.94014 20.3574 -5.36077 30.6077 -6.52662 13.2607 TIMING: 1444800 CPU: 4567.45, 0.00315193/step Wall: 4567.45, 0.00315193/step, 3.11271 hours remaining, 233.082031 MB of memory in use. ENERGY: 1444800 3940.2397 20586.2923 14584.1692 235.8509 -203454.3964 2853.1383 0.0000 0.0000 51920.1363 -109334.5696 298.3857 -161254.7059 -108977.2340 299.0067 125.3646 157.4687 761258.9515 -6.4916 -6.5259 PRESSURE: 1445000 -166.74 -240.776 -168.32 -240.777 -34.4529 -145.793 -168.321 -145.792 -88.1398 GPRESSURE: 1445000 -88.0456 -223.676 -146.066 -172.603 0.665726 -211.719 -138.917 -158.982 -97.8087 PRESSAVG: 1445000 -55.4271 -25.4031 20.7426 -25.4032 49.9404 -46.7061 20.7426 -46.706 4.58887 GPRESSAVG: 1445000 -55.2067 -23.3765 18.0023 -21.7737 50.0925 -47.3742 24.3439 -48.1198 3.278 TIMING: 1445000 CPU: 4568.08, 0.00316134/step Wall: 4568.08, 0.00316134/step, 3.12182 hours remaining, 233.082031 MB of memory in use. ENERGY: 1445000 4099.6099 20414.3949 14557.2014 234.8694 -203602.6655 2788.3756 0.0000 0.0000 52108.1295 -109400.0848 299.4661 -161508.2143 -109044.8648 299.4009 -96.4443 -61.7295 761132.6162 -0.2993 -0.6121 PRESSURE: 1445200 26.2096 -5.64496 -3.96207 -5.64446 -21.6138 -153.833 -3.9618 -153.834 9.68596 GPRESSURE: 1445200 105.082 152.322 74.032 -42.0987 -49.1599 -168.948 -83.5949 -251.143 54.877 PRESSAVG: 1445200 -3.12761 29.6718 11.4054 29.6718 49.4617 -18.0016 11.4054 -18.0016 1.59754 GPRESSAVG: 1445200 -2.99215 28.4938 12.4076 29.3663 49.1099 -17.346 9.76742 -17.1631 1.67399 TIMING: 1445200 CPU: 4568.71, 0.00313853/step Wall: 4568.71, 0.00313853/step, 3.09912 hours remaining, 233.082031 MB of memory in use. ENERGY: 1445200 4083.0109 20439.9753 14522.7834 237.9324 -203613.9991 2772.3855 0.0000 0.0000 52193.6898 -109364.2217 299.9579 -161557.9115 -109004.6748 299.8326 4.7606 36.9329 760050.8924 15.9772 15.9306 PRESSURE: 1445400 -181.334 82.9371 350.069 82.9364 17.5645 54.5545 350.069 54.5556 203.126 GPRESSURE: 1445400 -84.3077 90.4707 381.338 41.949 38.3591 84.8883 266.559 13.5616 163.215 PRESSAVG: 1445400 -29.6263 53.0415 5.72904 53.0415 11.858 -0.771192 5.72904 -0.771102 4.78808 GPRESSAVG: 1445400 -30.9634 53.1915 4.95564 52.0455 11.3133 -1.48907 6.71345 0.468258 6.50935 TIMING: 1445400 CPU: 4569.35, 0.0031808/step Wall: 4569.35, 0.0031808/step, 3.14068 hours remaining, 233.082031 MB of memory in use. ENERGY: 1445400 4030.9917 20416.1086 14443.1512 231.2786 -203462.5929 2792.1201 0.0000 0.0000 52274.5769 -109274.3658 300.4227 -161548.9428 -108914.7631 299.8198 13.1188 39.0888 760201.6457 -4.3268 -4.3802 PRESSURE: 1445600 -267.942 38.8257 -259.723 38.8262 -482.74 76.6107 -259.723 76.6096 84.802 GPRESSURE: 1445600 -411.752 115.433 -150.609 0.063672 -344.279 95.2736 -238.163 162.08 153.336 PRESSAVG: 1445600 -61.2796 -1.06301 29.6786 -1.06303 68.6461 21.0383 29.6786 21.0384 8.3779 GPRESSAVG: 1445600 -59.6748 1.83737 31.2258 -2.29342 68.7121 21.1203 27.9249 19.0693 6.41448 TIMING: 1445600 CPU: 4569.98, 0.00316769/step Wall: 4569.98, 0.00316769/step, 3.12757 hours remaining, 233.082031 MB of memory in use. ENERGY: 1445600 3968.6389 20612.9527 14531.5089 245.9169 -203193.1285 2265.5696 0.0000 0.0000 51949.1181 -109619.4234 298.5523 -161568.5415 -109251.6910 299.3127 -221.9599 -200.8984 760794.2792 5.2481 5.1506 PRESSURE: 1445800 65.8202 -152.088 9.93738 -152.088 -59.8082 -84.8302 9.93783 -84.8299 164 GPRESSURE: 1445800 73.6901 -148.049 -0.224296 -302.463 -13.5377 -30.6835 112.442 -139.119 188.398 PRESSAVG: 1445800 -6.32449 -21.9425 -10.6039 -21.9424 -8.48129 5.16758 -10.6039 5.16749 6.47556 GPRESSAVG: 1445800 -7.16746 -25.7876 -10.2814 -20.8192 -7.95118 5.88414 -9.777 5.82106 7.03004 TIMING: 1445800 CPU: 4570.61, 0.00315112/step Wall: 4570.61, 0.00315112/step, 3.11103 hours remaining, 233.082031 MB of memory in use. ENERGY: 1445800 4020.2706 20620.6099 14478.9114 239.8112 -203614.5990 2977.4092 0.0000 0.0000 51660.2504 -109617.3363 296.8922 -161277.5867 -109259.1529 298.6002 56.6706 82.8503 762208.6513 -2.7767 -2.6962 PRESSURE: 1446000 -154.608 18.3011 -67.2045 18.3016 -330.743 119.81 -67.2048 119.809 -275.076 GPRESSURE: 1446000 -144.674 20.7413 -59.4794 56.7263 -216.649 185.954 92.7293 21.785 -325.398 PRESSAVG: 1446000 20.5284 -37.5648 23.4988 -37.5647 20.1195 19.03 23.4988 19.03 -4.55623 GPRESSAVG: 1446000 20.3871 -34.6837 22.7786 -37.8211 20.1961 19.3451 23.8878 18.4845 -5.00636 TIMING: 1446000 CPU: 4571.24, 0.00315666/step Wall: 4571.24, 0.00315666/step, 3.11632 hours remaining, 233.082031 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: 1446000 4018.1689 20566.5037 14498.8820 243.3798 -203109.5384 2389.1414 0.0000 0.0000 51850.5658 -109542.8970 297.9859 -161393.4628 -109186.4448 298.1135 -253.4758 -228.9071 764029.9393 12.0306 11.8589 PRESSURE: 1446200 -33.5128 199.041 167.378 199.042 -202.142 -9.76003 167.378 -9.75965 223.127 GPRESSURE: 1446200 -20.0916 148.15 112.659 170.171 -111.562 114.242 37.5501 41.7469 185.143 PRESSAVG: 1446200 11.7491 13.7319 14.4656 13.732 27.2762 17.9436 14.4656 17.9436 -5.588 GPRESSAVG: 1446200 12.0752 12.346 13.2636 13.1754 26.9129 18.627 14.7936 18.4993 -5.44052 TIMING: 1446200 CPU: 4571.87, 0.003161/step Wall: 4571.87, 0.003161/step, 3.12043 hours remaining, 233.082031 MB of memory in use. ENERGY: 1446200 4029.2242 20515.3935 14533.1495 247.9562 -203370.9805 2612.2858 0.0000 0.0000 52018.4778 -109414.4936 298.9509 -161432.9713 -109055.7377 298.4286 -4.1762 17.8297 763845.0827 11.1458 11.1825 PRESSURE: 1446400 -110.465 -0.412056 -131.204 -0.411753 -231.76 -51.6767 -131.204 -51.6763 -142.552 GPRESSURE: 1446400 -135.098 -31.9586 -91.0829 4.12696 -145.376 -76.2344 -133.071 -262.124 -140.414 PRESSAVG: 1446400 21.8548 -10.3962 22.4322 -10.3962 -9.81088 56.5416 22.4323 56.5415 -17.2989 GPRESSAVG: 1446400 22.3549 -11.5211 23.2981 -12.7983 -10.9857 55.9725 22.4136 57.7391 -17.0571 TIMING: 1446400 CPU: 4572.51, 0.00318507/step Wall: 4572.51, 0.00318507/step, 3.14401 hours remaining, 233.082031 MB of memory in use. ENERGY: 1446400 4000.2236 20564.3760 14440.7286 246.9732 -203133.6897 2481.2893 0.0000 0.0000 51995.5238 -109404.5752 298.8190 -161400.0990 -109037.1121 298.6843 -161.5921 -140.2960 764026.6196 -1.7517 -1.8959 PRESSURE: 1446600 155.793 105.833 -49.809 105.833 -235.716 196.282 -49.8088 196.283 22.1806 GPRESSURE: 1446600 148.496 74.4508 -55.0429 -27.3999 -102.165 78.5629 -3.67666 257.841 -22.0636 PRESSAVG: 1446600 23.6593 -58.1501 12.0779 -58.1501 -78.5635 3.43491 12.078 3.43498 10.0171 GPRESSAVG: 1446600 23.3215 -55.252 12.9181 -55.3562 -77.8677 2.66855 10.2642 3.16285 9.53816 TIMING: 1446600 CPU: 4573.14, 0.00317211/step Wall: 4573.14, 0.00317211/step, 3.13105 hours remaining, 233.082031 MB of memory in use. ENERGY: 1446600 4074.4921 20569.9343 14414.6624 261.7608 -203586.8346 2782.5272 0.0000 0.0000 52114.0407 -109369.4172 299.5001 -161483.4579 -109015.4072 298.7374 -19.2474 8.0894 762529.4805 -14.9624 -15.0027 PRESSURE: 1446800 -185.921 153.158 -152.617 153.159 99.2732 41.0418 -152.616 41.043 -15.1365 GPRESSURE: 1446800 -104.843 152.108 -273.468 273.813 124.418 -2.86892 -129.036 -36.0321 -24.0755 PRESSAVG: 1446800 1.04366 -4.17126 -25.7984 -4.17132 5.614 -13.7382 -25.7985 -13.7382 -17.5124 GPRESSAVG: 1446800 1.18101 -5.61044 -28.4174 -3.32326 5.21839 -12.919 -22.0479 -14.8586 -16.9266 TIMING: 1446800 CPU: 4573.78, 0.00316511/step Wall: 4573.78, 0.00316511/step, 3.12397 hours remaining, 233.082031 MB of memory in use. ENERGY: 1446800 3993.5614 20509.6815 14515.0826 257.1606 -203057.6388 2602.9523 0.0000 0.0000 51868.1841 -109311.0162 298.0872 -161179.2004 -108946.9701 299.1416 -33.9282 -1.5003 761181.5856 -3.6183 -3.5091 PRESSURE: 1447000 -280.671 30.3555 -6.1098 30.3567 -51.45 89.3452 -6.11041 89.3442 64.3644 GPRESSURE: 1447000 -230.01 -8.20878 -30.4609 -10.9258 30.2785 51.1114 7.68208 115.049 27.729 PRESSAVG: 1447000 -12.7825 0.0448578 15.351 0.0449539 -1.54729 43.9923 15.3509 43.9923 4.448 GPRESSAVG: 1447000 -12.6011 -0.908897 16.259 -0.441694 -1.57621 44.499 13.6769 43.3418 4.44856 TIMING: 1447000 CPU: 4574.41, 0.00315812/step Wall: 4574.41, 0.00315812/step, 3.11689 hours remaining, 233.082031 MB of memory in use. ENERGY: 1447000 3969.1129 20379.1499 14474.5015 238.0853 -203139.9036 2502.4903 0.0000 0.0000 52372.4372 -109204.1265 300.9851 -161576.5637 -108833.0777 299.4239 -89.2522 -57.3341 763591.8199 -3.2939 -3.2429 PRESSURE: 1447200 -437.878 -290.738 111.533 -290.738 -201.982 -54.5709 111.535 -54.5699 -117.044 GPRESSURE: 1447200 -370.07 -257.062 -26.0949 -249.863 -254.338 0.720639 94.2997 -166.817 -55.8181 PRESSAVG: 1447200 -14.7695 -29.5421 4.84727 -29.5421 3.71306 15.9793 4.84724 15.9793 8.34527 GPRESSAVG: 1447200 -14.6729 -28.9094 7.11781 -29.6402 2.81025 16.2904 2.85112 16.7957 9.38432 TIMING: 1447200 CPU: 4575.04, 0.00314884/step Wall: 4575.04, 0.00314884/step, 3.10755 hours remaining, 233.082031 MB of memory in use. ENERGY: 1447200 3960.0215 20499.4104 14451.3434 247.1124 -203049.5581 2459.3846 0.0000 0.0000 52125.0333 -109307.2525 299.5633 -161432.2858 -108932.3736 299.0999 -252.3014 -226.7418 762599.7923 -0.9037 -0.8261 PRESSURE: 1447400 25.918 159.87 -65.6692 159.869 84.4651 84.5463 -65.6692 84.5469 27.8066 GPRESSURE: 1447400 38.0544 102.206 -92.4732 144.631 157.597 128.859 -144.552 -83.1538 -8.82475 PRESSAVG: 1447400 -16.8197 -15.4211 -38.5534 -15.421 8.70483 40.668 -38.5534 40.668 1.4306 GPRESSAVG: 1447400 -17.2784 -15.5768 -40.9648 -14.808 9.80384 40.9734 -37.9767 41.2211 0.514034 TIMING: 1447400 CPU: 4575.67, 0.00315771/step Wall: 4575.67, 0.00315771/step, 3.11613 hours remaining, 233.082031 MB of memory in use. ENERGY: 1447400 4005.0260 20502.5769 14514.2060 255.7602 -203269.7241 2657.0985 0.0000 0.0000 52009.4762 -109325.5802 298.8992 -161335.0565 -108962.2558 299.3090 46.0632 62.2756 761898.9131 -2.2281 -2.3202 PRESSURE: 1447600 -250.611 -67.9533 90.6443 -67.9529 -386.586 187.178 90.6443 187.177 75.7762 GPRESSURE: 1447600 -282.873 -58.2475 -59.7339 -57.0306 -296.879 152.736 38.3742 63.6279 96.9553 PRESSAVG: 1447600 -27.3995 -2.39081 27.4637 -2.39083 9.28438 31.7947 27.4637 31.7947 7.29049 GPRESSAVG: 1447600 -27.5784 -1.67323 27.5105 -2.22864 9.19735 31.4855 27.758 32.3593 7.20472 TIMING: 1447600 CPU: 4576.3, 0.00315068/step Wall: 4576.3, 0.00315068/step, 3.10902 hours remaining, 233.082031 MB of memory in use. ENERGY: 1447600 3989.5140 20600.8713 14474.6599 246.8994 -203038.5009 2529.6843 0.0000 0.0000 51923.8458 -109273.0262 298.4071 -161196.8720 -108912.1092 299.1600 -187.1402 -160.9322 763273.5434 -3.6082 -3.7254 PRESSURE: 1447800 -202.22 310.729 -51.0052 310.729 -99.745 108.213 -51.0057 108.214 92.727 GPRESSURE: 1447800 -155.304 328.471 -3.1277 255.765 -60.9122 131.896 -11.1537 120.575 83.9081 PRESSAVG: 1447800 3.08942 -15.2553 6.38705 -15.2552 -37.9521 -5.96482 6.38703 -5.96485 -2.32081 GPRESSAVG: 1447800 2.52425 -14.7798 6.90656 -16.6349 -37.0589 -5.23469 6.36307 -7.90168 -2.0172 TIMING: 1447800 CPU: 4576.94, 0.00317645/step Wall: 4576.94, 0.00317645/step, 3.13427 hours remaining, 233.082031 MB of memory in use. ENERGY: 1447800 3966.8106 20455.0250 14548.1102 247.0813 -203301.8453 2523.5844 0.0000 0.0000 51980.4026 -109580.8313 298.7321 -161561.2339 -109224.0107 299.1423 -69.7459 -44.1028 762202.6462 -12.3945 -12.1839 PRESSURE: 1448000 28.6728 60.613 -20.2113 60.6131 -345.159 -172.459 -20.211 -172.458 -231.305 GPRESSURE: 1448000 14.8281 175.48 -15.3051 222.918 -266.218 -204.212 -56.797 -129.605 -220.276 PRESSAVG: 1448000 -9.03319 27.4371 -1.47412 27.4371 -15.5989 -2.23881 -1.47416 -2.23883 -2.10473 GPRESSAVG: 1448000 -9.5329 27.1485 -2.65247 28.8617 -16.7672 -2.86058 -0.521694 -2.39075 -0.786907 TIMING: 1448000 CPU: 4577.57, 0.00315842/step Wall: 4577.57, 0.00315842/step, 3.11631 hours remaining, 233.082031 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: 1448000 4031.4648 20626.0759 14493.1792 234.2839 -202948.7447 2367.9183 0.0000 0.0000 52108.6711 -109087.1515 299.4692 -161195.8226 -108737.4383 298.4812 -182.5971 -157.2218 762284.5535 -8.9123 -9.0290 PRESSURE: 1448200 -559.653 76.1706 -34.692 76.1704 143.901 118.441 -34.6925 118.441 102.465 GPRESSURE: 1448200 -478.49 63.6603 -21.1218 71.1575 159.767 84.6682 -68.9022 123.429 89.3273 PRESSAVG: 1448200 7.47433 37.9149 -15.4241 37.915 35.8651 -9.10902 -15.4241 -9.10909 31.1896 GPRESSAVG: 1448200 8.79115 38.2072 -14.0382 38.4145 35.5153 -7.96992 -14.7186 -8.35151 30.2672 TIMING: 1448200 CPU: 4578.2, 0.00316359/step Wall: 4578.2, 0.00316359/step, 3.12123 hours remaining, 233.082031 MB of memory in use. ENERGY: 1448200 3964.4283 20379.4120 14510.0978 248.0696 -202868.5524 2490.2486 0.0000 0.0000 52062.2549 -109214.0411 299.2025 -161276.2960 -108850.1821 299.6125 -104.4293 -76.4655 762042.3224 24.8430 24.8579 LDB: ============= START OF LOAD BALANCING ============== 4590.74 LDB: ============== END OF LOAD BALANCING =============== 4590.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4590.74 LDB: ============= START OF LOAD BALANCING ============== 4591.05 LDB: Largest compute 7036 load 0.030353 is 15.5% of average load 0.195472 LDB: Average compute 0.004379 is 2.2% of average load 0.195472 LDB: TIME 4591.06 LOAD: AVG 0.195472 MAX 0.218864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 4591.06 LOAD: AVG 0.195472 MAX 0.218864 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.469 MB LDB: TIME 4591.06 LOAD: AVG 0.195472 MAX 0.216648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.469 MB LDB: ============== END OF LOAD BALANCING =============== 4591.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4591.06 PRESSURE: 1448400 132.591 182.503 191.399 182.502 -80.084 107.483 191.398 107.484 -167.554 GPRESSURE: 1448400 29.1075 169.817 156.663 192.417 -24.7963 179.617 298.703 93.187 -49.4876 PRESSAVG: 1448400 -2.41422 50.7937 27.5118 50.7937 -8.46852 82.8102 27.5118 82.8101 -6.52425 GPRESSAVG: 1448400 -3.73504 48.3723 27.4707 49.2228 -8.38089 81.9842 26.5499 83.9105 -5.2741 TIMING: 1448400 CPU: 4578.85, 0.00323246/step Wall: 4578.85, 0.00323246/step, 3.189 hours remaining, 233.390625 MB of memory in use. ENERGY: 1448400 3988.9973 20493.7807 14475.3713 250.9843 -203234.5698 2600.2847 0.0000 0.0000 52158.8406 -109266.3109 299.7576 -161425.1516 -108904.5365 299.2209 -38.3489 -15.0588 762917.2748 -5.8023 -5.7967 PRESSURE: 1448600 -352.837 202.997 165.907 202.996 -109.793 225.389 165.908 225.389 -199.087 GPRESSURE: 1448600 -334.82 21.0935 195.361 93.9663 -39.2634 180.859 122.428 334.266 -192.052 PRESSAVG: 1448600 -21.5023 -11.4002 19.3673 -11.4002 56.8206 4.35972 19.3673 4.35974 6.36629 GPRESSAVG: 1448600 -21.5008 -8.87289 20.4214 -11.2269 57.4788 4.25508 17.6075 2.81542 5.44336 TIMING: 1448600 CPU: 4579.48, 0.00314233/step Wall: 4579.48, 0.00314233/step, 3.09991 hours remaining, 233.390625 MB of memory in use. ENERGY: 1448600 3955.6994 20518.9605 14479.3227 247.1114 -203276.2770 2546.3427 0.0000 0.0000 52149.3626 -109379.4778 299.7031 -161528.8404 -109008.0757 298.8646 -220.5724 -188.7120 762435.0251 13.8949 13.8071 PRESSURE: 1448800 -398.578 -56.2175 87.031 -56.2178 -325.847 -60.8485 87.03 -60.8479 -16.2934 GPRESSURE: 1448800 -342.411 -167.776 177.571 -143.238 -304.261 19.4044 90.9916 -139.783 7.93107 PRESSAVG: 1448800 -13.1964 -28.8705 8.62798 -28.8705 18.7235 12.5795 8.62794 12.5794 -8.02546 GPRESSAVG: 1448800 -12.9399 -31.1164 6.93186 -29.7695 18.8716 13.7623 11.6048 13.6031 -7.95606 TIMING: 1448800 CPU: 4580.1, 0.00313973/step Wall: 4580.1, 0.00313973/step, 3.09717 hours remaining, 233.390625 MB of memory in use. ENERGY: 1448800 4018.3618 20595.3484 14455.0105 235.0898 -202982.6694 2374.8098 0.0000 0.0000 51984.8438 -109319.2052 298.7576 -161304.0490 -108957.2135 298.9015 -246.9062 -212.9136 761860.7622 -0.8328 -0.6748 PRESSURE: 1449000 -232.404 -321.077 -64.1318 -321.076 -308.405 -39.1149 -64.1325 -39.1147 -567.813 GPRESSURE: 1449000 -157.958 -191.121 -19.796 -242.594 -327.277 -59.2898 -56.5065 -42.895 -521.779 PRESSAVG: 1449000 -1.03422 -40.7135 6.07342 -40.7135 28.1809 -3.45212 6.07347 -3.4521 -2.1138 GPRESSAVG: 1449000 -0.049924 -37.6077 7.63087 -41.0575 27.1503 -5.43588 6.78013 -1.97315 -2.14953 TIMING: 1449000 CPU: 4580.74, 0.00317348/step Wall: 4580.74, 0.00317348/step, 3.13029 hours remaining, 233.390625 MB of memory in use. ENERGY: 1449000 3991.7954 20553.5041 14556.0438 278.0420 -203209.3695 2547.5387 0.0000 0.0000 51997.4922 -109284.9533 298.8303 -161282.4455 -108922.7151 299.1153 -369.5407 -335.6710 763173.7427 8.3443 8.3169 PRESSURE: 1449200 -94.3127 206.443 370.224 206.442 5.8008 153.029 370.225 153.03 -351.537 GPRESSURE: 1449200 -95.4887 170.338 365.437 171.447 37.8839 152.388 174.805 177.404 -306.506 PRESSAVG: 1449200 31.7291 -2.9213 31.0503 -2.9213 -21.3552 15.3556 31.0503 15.3556 0.346395 GPRESSAVG: 1449200 31.1106 -2.72735 29.7343 -1.46172 -19.9953 16.911 29.3924 12.2604 -0.196739 TIMING: 1449200 CPU: 4581.37, 0.00315974/step Wall: 4581.37, 0.00315974/step, 3.11656 hours remaining, 233.390625 MB of memory in use. ENERGY: 1449200 3969.3913 20638.0527 14477.6042 243.2582 -203055.3177 2536.2979 0.0000 0.0000 51995.9676 -109194.7459 298.8215 -161190.7134 -108831.1858 299.4043 -146.6831 -121.3704 763339.9091 3.5734 3.6395 PRESSURE: 1449400 -151.79 15.0964 -118.821 15.0967 -85.8235 -112.585 -118.821 -112.585 -339.295 GPRESSURE: 1449400 -89.659 48.7727 -122.718 -122.497 -86.1353 -172.519 -8.50081 -30.8052 -313.588 PRESSAVG: 1449400 -43.4276 4.94993 -22.4326 4.94996 75.8427 3.57777 -22.4326 3.57775 9.17672 GPRESSAVG: 1449400 -43.0497 3.04962 -23.1132 4.97395 75.5784 3.06645 -23.9741 4.8051 8.99394 TIMING: 1449400 CPU: 4582, 0.00315382/step Wall: 4582, 0.00315382/step, 3.11054 hours remaining, 233.390625 MB of memory in use. ENERGY: 1449400 4037.7013 20700.8878 14548.7468 256.5402 -203230.2703 2810.1276 0.0000 0.0000 51817.4325 -109058.8341 297.7955 -160876.2667 -108708.3950 299.6350 -192.3027 -163.1276 762352.0267 13.8640 13.8409 PRESSURE: 1449600 288.793 -264.182 -13.095 -264.182 -39.8571 -14.3804 -13.0952 -14.3811 46.9864 GPRESSURE: 1449600 254.633 -184.312 -6.11352 -213.189 40.7839 -15.5676 73.6464 -1.39527 56.4429 PRESSAVG: 1449600 -20.0646 -8.98096 -7.61327 -8.98098 26.4528 -47.6229 -7.61334 -47.6229 -7.00142 GPRESSAVG: 1449600 -20.9248 -8.28127 -7.01288 -8.86813 27.7589 -47.4254 -6.23381 -47.091 -7.90628 TIMING: 1449600 CPU: 4582.63, 0.00315946/step Wall: 4582.63, 0.00315946/step, 3.11593 hours remaining, 233.390625 MB of memory in use. ENERGY: 1449600 3999.7146 20613.8865 14499.3409 252.7094 -203221.1320 2619.1956 0.0000 0.0000 51923.4396 -109312.8454 298.4047 -161236.2850 -108956.4213 299.2893 98.6407 117.2864 762025.0174 -0.2044 -0.3574 PRESSURE: 1449800 72.0976 -108.191 361.528 -108.19 -20.7501 -149.792 361.529 -149.792 66.7086 GPRESSURE: 1449800 192.098 -108.857 361.639 -107.769 -72.7747 -243.181 184.238 -108.696 83.0978 PRESSAVG: 1449800 54.9242 -3.80311 35.6706 -3.8031 -39.5804 1.38247 35.6706 1.38242 -27.1837 GPRESSAVG: 1449800 55.7449 -4.22072 35.7107 -3.47286 -41.4317 1.21967 34.7534 0.996021 -25.9508 TIMING: 1449800 CPU: 4583.26, 0.00314378/step Wall: 4583.26, 0.00314378/step, 3.10029 hours remaining, 233.390625 MB of memory in use. ENERGY: 1449800 3903.8305 20657.3674 14482.6290 253.4449 -203388.9574 2682.9197 0.0000 0.0000 52167.9221 -109240.8436 299.8098 -161408.7658 -108886.0975 299.0525 39.3520 67.4737 762095.2791 -3.9467 -3.8792 PRESSURE: 1450000 328.621 -58.0321 60.9009 -58.0326 36.486 -234.327 60.9005 -234.328 -51.4783 GPRESSURE: 1450000 440.405 -70.0518 72.5658 -72.7519 108.626 -216.028 59.8576 -95.7663 -138.954 PRESSAVG: 1450000 16.0319 11.2157 23.9884 11.2158 -38.4481 40.5472 23.9883 40.5471 -8.97184 GPRESSAVG: 1450000 15.5697 11.242 24.074 9.07278 -36.8869 41.2716 24.3238 39.2572 -10.0203 TIMING: 1450000 CPU: 4583.89, 0.00315558/step Wall: 4583.89, 0.00315558/step, 3.11175 hours remaining, 233.390625 MB of memory 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 3941.7839 20556.5302 14462.9509 244.1241 -203371.4710 2844.9741 0.0000 0.0000 52217.9812 -109103.1266 300.0975 -161321.1078 -108740.5752 299.8388 104.5428 136.6922 762090.5470 -10.4627 -10.4458 PRESSURE: 1450200 325.62 56.9997 -81.3578 57.0003 22.7027 -51.4134 -81.357 -51.4131 -44.1905 GPRESSURE: 1450200 305.305 29.7286 -58.9827 5.43573 116.634 -44.4883 -103.893 170.825 -41.9117 PRESSAVG: 1450200 -28.4147 -19.0937 -27.4184 -19.0937 7.83519 -1.09931 -27.4184 -1.09932 -14.958 GPRESSAVG: 1450200 -28.5608 -19.4815 -26.5989 -16.8619 7.23299 -3.3789 -27.8168 3.13144 -14.0421 TIMING: 1450200 CPU: 4584.52, 0.00315818/step Wall: 4584.52, 0.00315818/step, 3.11414 hours remaining, 233.390625 MB of memory in use. ENERGY: 1450200 3976.8938 20500.5931 14534.0153 254.4955 -202989.4834 2610.1791 0.0000 0.0000 51853.1771 -109260.1295 298.0009 -161113.3066 -108904.4285 299.2250 101.3773 126.6756 762205.8465 -11.8458 -11.7900 PRESSURE: 1450400 -209.697 110.234 3.69228 110.234 -42.6606 221.376 3.69308 221.377 169.814 GPRESSURE: 1450400 -210.824 74.6925 -48.1543 53.2568 48.2162 272.486 -154.27 134.68 148.2 PRESSAVG: 1450400 -9.55057 11.822 34.5988 11.8221 -1.77021 7.73948 34.5988 7.73947 24.3063 GPRESSAVG: 1450400 -9.77791 13.1353 33.9063 11.6897 -1.21425 8.44427 34.227 3.90029 24.1718 TIMING: 1450400 CPU: 4585.16, 0.00316276/step Wall: 4585.16, 0.00316276/step, 3.11848 hours remaining, 233.390625 MB of memory in use. ENERGY: 1450400 4047.0723 20472.7986 14471.7564 244.6508 -203011.7564 2512.0062 0.0000 0.0000 52123.1561 -109140.3161 299.5525 -161263.4723 -108782.0327 299.2788 -27.5143 -4.8026 760058.9741 4.3285 4.3932 PRESSURE: 1450600 375.869 -43.3313 22.3273 -43.3316 13.6956 24.4035 22.3284 24.4025 206.319 GPRESSURE: 1450600 307.63 -117.632 105.943 -144.925 81.4826 50.8492 -92.6332 -64.6771 298.02 PRESSAVG: 1450600 21.4291 -49.7982 32.519 -49.7983 -3.60705 1.65539 32.5189 1.65529 -2.84125 GPRESSAVG: 1450600 21.2603 -49.4969 32.9024 -50.0284 -4.27068 1.44817 32.8493 3.9409 -2.38579 TIMING: 1450600 CPU: 4585.78, 0.00313775/step Wall: 4585.78, 0.00313775/step, 3.09365 hours remaining, 233.390625 MB of memory in use. ENERGY: 1450600 3957.4934 20580.4959 14534.8801 244.2943 -203087.3953 2511.7166 0.0000 0.0000 52162.5239 -109095.9910 299.7787 -161258.5149 -108743.1913 299.4573 198.6277 229.0442 761519.6986 4.9936 4.8679 PRESSURE: 1450800 -112.783 -49.7115 26.8951 -49.7107 -85.9878 -169.744 26.8958 -169.744 -143.748 GPRESSURE: 1450800 -44.6692 -54.267 54.0496 -106.605 -95.1199 -77.6555 84.9351 -131.787 -128.182 PRESSAVG: 1450800 -18.3946 -3.92093 -11.046 -3.92091 8.80127 51.8589 -11.046 51.859 36.9349 GPRESSAVG: 1450800 -18.4906 -5.20344 -12.2914 -5.88272 8.71246 52.8524 -11.0265 51.3202 37.2795 TIMING: 1450800 CPU: 4586.41, 0.00314356/step Wall: 4586.41, 0.00314356/step, 3.0992 hours remaining, 233.390625 MB of memory in use. ENERGY: 1450800 3934.2934 20403.4798 14477.5868 251.9545 -202950.2614 2476.3300 0.0000 0.0000 52191.1379 -109215.4790 299.9432 -161406.6169 -108844.2817 299.3476 -114.1730 -89.3236 762599.3772 9.1139 9.1671 PRESSURE: 1451000 123.525 5.86612 121.709 5.86554 497.391 -40.3015 121.709 -40.3021 51.5787 GPRESSURE: 1451000 210.861 -44.0088 58.9221 24.9544 435.833 -33.1405 162.595 -27.5635 101.657 PRESSAVG: 1451000 -14.0265 -29.4715 1.85771 -29.4716 26.5418 -11.7576 1.85774 -11.7576 -12.9633 GPRESSAVG: 1451000 -14.2057 -28.0907 2.53798 -29.9157 26.0533 -11.8913 2.69113 -12.6307 -12.5394 TIMING: 1451000 CPU: 4587.05, 0.00316758/step Wall: 4587.05, 0.00316758/step, 3.12271 hours remaining, 233.390625 MB of memory in use. ENERGY: 1451000 4004.6053 20552.0158 14565.9560 233.7945 -203279.7729 2841.1772 0.0000 0.0000 52134.0039 -108948.2202 299.6148 -161082.2241 -108587.4663 299.2108 224.1649 249.4506 761554.5779 -0.1493 -0.2306 PRESSURE: 1451200 -107.017 -57.0906 -116.665 -57.0906 138.223 87.4276 -116.665 87.4267 544.383 GPRESSURE: 1451200 -85.5178 14.9452 -84.1296 -75.5162 241.275 90.6461 -58.0387 -50.3732 523.393 PRESSAVG: 1451200 -65.8497 13.7092 -34.073 13.7093 41.5025 -31.7877 -34.073 -31.7877 6.42218 GPRESSAVG: 1451200 -64.4904 13.0997 -33.7805 14.6496 41.2209 -30.9251 -34.608 -29.6375 5.91869 TIMING: 1451200 CPU: 4587.68, 0.00314654/step Wall: 4587.68, 0.00314654/step, 3.10179 hours remaining, 233.390625 MB of memory in use. ENERGY: 1451200 3935.4389 20511.8388 14490.5038 237.9993 -202909.7595 2672.4722 0.0000 0.0000 52462.4510 -108599.0557 301.5024 -161061.5066 -108234.2456 300.1712 191.8630 226.3832 762888.6293 -5.9750 -5.7836 PRESSURE: 1451400 146.279 -7.48239 113.081 -7.48252 292.227 124.515 113.081 124.515 255.727 GPRESSURE: 1451400 221.002 82.7506 44.4935 61.0277 236.053 132.671 168.081 107.918 321.745 PRESSAVG: 1451400 -9.48094 -9.88221 19.6912 -9.88223 19.6036 -62.4674 19.6912 -62.4674 11.4642 GPRESSAVG: 1451400 -10.0385 -9.5068 19.1845 -9.84304 20.5622 -63.9292 20.0885 -65.8238 11.4211 TIMING: 1451400 CPU: 4588.3, 0.00312994/step Wall: 4588.3, 0.00312994/step, 3.08525 hours remaining, 233.390625 MB of memory in use. ENERGY: 1451400 3988.4696 20675.8042 14546.8528 270.0356 -203300.0625 2908.5110 0.0000 0.0000 52242.6604 -108667.7289 300.2393 -160910.3893 -108314.5435 300.5048 231.4107 259.6001 761504.5292 7.1956 7.3149 PRESSURE: 1451600 -354.725 -101.803 -40.8795 -101.802 -229.19 37.9876 -40.8791 37.9878 -106.427 GPRESSURE: 1451600 -284.941 -43.1157 -16.9767 -42.8029 -279.229 47.9324 -48.1639 -14.3031 -50.1837 PRESSAVG: 1451600 17.409 11.4229 12.3745 11.423 -19.7445 -19.0629 12.3746 -19.0629 6.32996 GPRESSAVG: 1451600 17.3158 9.67801 13.4166 12.8594 -19.6102 -18.107 9.87397 -17.49 6.29412 TIMING: 1451600 CPU: 4588.93, 0.00315719/step Wall: 4588.93, 0.00315719/step, 3.11194 hours remaining, 233.390625 MB of memory in use. ENERGY: 1451600 4079.1522 20498.6498 14489.2836 262.7130 -202641.4768 2367.0602 0.0000 0.0000 52172.3873 -108772.2308 299.8354 -160944.6181 -108412.6143 300.7746 -230.1139 -204.7845 763500.4827 1.3315 1.3332 PRESSURE: 1451800 -182.842 -210.479 -181.334 -210.479 -246.63 182.892 -181.334 182.891 79.5436 GPRESSURE: 1451800 -173.51 -233.628 -200.704 -219.136 -190.527 254.214 -76.6633 229.755 91.359 PRESSAVG: 1451800 16.7153 -64.0887 9.56442 -64.0887 -13.6655 14.0897 9.56443 14.0897 0.287265 GPRESSAVG: 1451800 14.8867 -64.3196 7.10785 -65.6697 -12.8498 13.8264 13.6478 14.728 1.25355 TIMING: 1451800 CPU: 4589.56, 0.00315314/step Wall: 4589.56, 0.00315314/step, 3.10777 hours remaining, 233.390625 MB of memory in use. ENERGY: 1451800 3980.2270 20588.0365 14525.0602 239.5378 -202668.3148 2358.2212 0.0000 0.0000 52248.4819 -108728.7503 300.2727 -160977.2322 -108365.5640 300.7175 -116.6428 -90.8927 763740.2486 1.1124 1.0968 PRESSURE: 1452000 166.209 -111.908 50.3031 -111.909 -34.2203 86.1488 50.3024 86.1498 -416.34 GPRESSURE: 1452000 142.088 -2.78598 128.933 -167.609 -1.92788 89.5684 32.6952 63.6314 -365.796 PRESSAVG: 1452000 35.5075 29.6434 -12.4934 29.6435 -9.21713 -21.7938 -12.4934 -21.7936 -15.776 GPRESSAVG: 1452000 37.3385 31.6926 -11.2729 30.6288 -9.61221 -21.5763 -12.0982 -22.7724 -16.7734 TIMING: 1452000 CPU: 4590.2, 0.00316104/step Wall: 4590.2, 0.00316104/step, 3.11538 hours remaining, 233.390625 MB of memory 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 3961.2708 20545.9079 14560.5842 235.4218 -202748.9844 2475.6042 0.0000 0.0000 52187.6567 -108782.5388 299.9232 -160970.1955 -108421.9933 300.1820 -94.7838 -75.2120 762820.5249 3.5048 3.6510 PRESSURE: 1452200 75.7272 -95.3997 83.6894 -95.3999 385.124 105.737 83.6893 105.737 -254.416 GPRESSURE: 1452200 139.538 -151.472 0.74424 -76.6501 302.455 114.513 50.7059 72.6649 -148.741 PRESSAVG: 1452200 10.2115 -27.0434 39.5817 -27.0434 16.4798 34.4256 39.5817 34.4255 -2.96752 GPRESSAVG: 1452200 9.71382 -28.8367 39.7557 -26.7061 16.2467 33.5479 38.3536 34.4948 -2.33384 TIMING: 1452200 CPU: 4590.83, 0.00315882/step Wall: 4590.83, 0.00315882/step, 3.11301 hours remaining, 233.390625 MB of memory in use. ENERGY: 1452200 4043.0188 20719.2229 14525.3387 256.6204 -202879.0415 2495.4912 0.0000 0.0000 51874.6243 -108964.7252 298.1242 -160839.3495 -108604.0773 300.2792 68.8116 97.7507 762347.8219 7.9079 7.8756 LDB: ============= START OF LOAD BALANCING ============== 4603.36 LDB: ============== END OF LOAD BALANCING =============== 4603.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4603.36 LDB: ============= START OF LOAD BALANCING ============== 4603.68 LDB: Largest compute 7041 load 0.030478 is 15.6% of average load 0.195358 LDB: Average compute 0.004392 is 2.2% of average load 0.195358 LDB: TIME 4603.68 LOAD: AVG 0.195358 MAX 0.219473 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.09 MB LDB: TIME 4603.68 LOAD: AVG 0.195358 MAX 0.219473 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.09 MB LDB: TIME 4603.68 LOAD: AVG 0.195358 MAX 0.214612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.09 MB LDB: ============== END OF LOAD BALANCING =============== 4603.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4603.69 PRESSURE: 1452400 -690.538 -91.4996 75.8233 -91.5001 68.3556 16.4845 75.8237 16.4846 151.206 GPRESSURE: 1452400 -548.927 -60.1904 48.7041 -142.284 32.6399 6.69825 83.8102 -1.53173 132.412 PRESSAVG: 1452400 24.7972 -26.5245 7.74386 -26.5245 -16.5421 -5.24049 7.74387 -5.24059 20.7039 GPRESSAVG: 1452400 24.9469 -26.3805 8.21251 -27.5612 -17.5992 -4.68265 4.51023 -5.59552 20.9787 TIMING: 1452400 CPU: 4591.47, 0.00322831/step Wall: 4591.47, 0.00322831/step, 3.18132 hours remaining, 234.480469 MB of memory in use. ENERGY: 1452400 3979.1902 20750.6270 14532.4469 231.1324 -202948.8123 2472.3869 0.0000 0.0000 52001.2258 -108981.8031 298.8518 -160983.0289 -108624.4774 299.7564 -156.9923 -127.9586 762317.4591 9.6530 9.4422 PRESSURE: 1452600 -219.855 301.138 -266.068 301.139 -266.321 -139.319 -266.067 -139.318 -550.863 GPRESSURE: 1452600 -291.818 205.931 -220.173 300.111 -172.841 -129.433 -63.0297 -41.9916 -482.299 PRESSAVG: 1452600 -25.4953 12.9157 -21.7669 12.9157 1.97642 22.3488 -21.7669 22.3487 3.96697 GPRESSAVG: 1452600 -25.8962 11.7072 -22.7628 14.3188 4.2377 21.7627 -17.8557 24.2165 2.27942 TIMING: 1452600 CPU: 4592.1, 0.0031524/step Wall: 4592.1, 0.0031524/step, 3.10634 hours remaining, 234.480469 MB of memory in use. ENERGY: 1452600 3933.7225 20670.9800 14637.3987 260.0699 -203138.8223 2477.2023 0.0000 0.0000 51995.6759 -109163.7731 298.8199 -161159.4490 -108811.8619 299.7104 -345.6796 -315.6524 763476.6920 -6.5173 -6.4597 PRESSURE: 1452800 27.02 70.3529 -96.5438 70.3531 -188.325 -233.314 -96.5439 -233.314 53.2585 GPRESSURE: 1452800 37.2602 -17.178 -7.1015 148.482 -149.162 -200.636 -170.38 -174.568 87.755 PRESSAVG: 1452800 -64.5836 -45.4741 12.6298 -45.4741 74.3419 49.6047 12.6298 49.6047 13.6406 GPRESSAVG: 1452800 -65.3909 -45.3316 14.5042 -43.8915 73.6801 51.3037 12.7192 48.7297 15.0168 TIMING: 1452800 CPU: 4592.74, 0.00315977/step Wall: 4592.74, 0.00315977/step, 3.11342 hours remaining, 234.480469 MB of memory in use. ENERGY: 1452800 4029.8131 20553.0563 14528.0129 263.0114 -203469.7882 2679.3642 0.0000 0.0000 52118.0634 -109298.4667 299.5232 -161416.5302 -108940.9424 299.5622 -36.0155 -8.0490 762964.8707 7.7997 7.7687 PRESSURE: 1453000 70.3407 -7.31138 -168.32 -7.31081 -132.454 -72.9447 -168.318 -72.944 -140.15 GPRESSURE: 1453000 100.665 12.9503 -55.666 5.84502 -101.677 -34.5774 -196.389 -217.988 -113.453 PRESSAVG: 1453000 41.5838 -6.08068 15.1091 -6.08066 -46.5794 -14.2207 15.1091 -14.2207 -4.0078 GPRESSAVG: 1453000 42.1394 -4.515 15.2412 -7.49657 -46.172 -15.5512 15.607 -13.4391 -4.73669 TIMING: 1453000 CPU: 4593.37, 0.00317162/step Wall: 4593.37, 0.00317163/step, 3.12493 hours remaining, 234.480469 MB of memory in use. ENERGY: 1453000 4013.7933 20597.5442 14622.1037 258.7872 -203746.5893 3011.3217 0.0000 0.0000 52062.6930 -109180.3462 299.2050 -161243.0392 -108821.6600 299.5313 -67.4210 -38.1547 761909.4560 -3.0011 -2.9231 PRESSURE: 1453200 179.367 -290.053 103.006 -290.053 101.148 -108.985 103.006 -108.986 241.162 GPRESSURE: 1453200 227.231 -159.653 123.836 -188.464 189.153 -41.3025 41.2641 -160.892 195.883 PRESSAVG: 1453200 49.6878 -33.245 -1.34808 -33.2451 -24.2891 -39.3907 -1.34806 -39.3907 -2.34113 GPRESSAVG: 1453200 50.2697 -32.6525 -1.66831 -33.6432 -25.1993 -37.6887 -1.85563 -42.6474 -1.48537 TIMING: 1453200 CPU: 4594, 0.0031666/step Wall: 4594, 0.0031666/step, 3.1198 hours remaining, 234.480469 MB of memory in use. ENERGY: 1453200 3973.5942 20607.8355 14527.3632 261.8962 -203277.2132 2825.1500 0.0000 0.0000 52039.9158 -109041.4583 299.0741 -161081.3741 -108669.1300 299.5593 173.8921 204.0890 763083.1236 7.6858 7.8617 PRESSURE: 1453400 -48.545 -39.8563 -87.7862 -39.8567 -170.491 131.655 -87.7858 131.654 -4.25164 GPRESSURE: 1453400 -96.9424 -113.419 -102.739 10.5307 -20.022 170.051 15.9271 141.425 -11.6473 PRESSAVG: 1453400 -3.23113 -8.32921 34.3767 -8.3292 -0.930483 -38.5977 34.3768 -38.5976 4.81545 GPRESSAVG: 1453400 -3.79711 -9.71397 35.7757 -9.20285 -0.0251341 -41.0893 34.2397 -37.013 4.78246 TIMING: 1453400 CPU: 4594.63, 0.00314195/step Wall: 4594.63, 0.00314195/step, 3.09535 hours remaining, 234.480469 MB of memory in use. ENERGY: 1453400 4021.0908 20445.1853 14522.0810 250.9938 -203089.4749 2661.1810 0.0000 0.0000 52042.4137 -109146.5294 299.0885 -161188.9431 -108784.1804 299.2478 -74.4293 -42.8706 763380.0832 0.2179 0.3201 PRESSURE: 1453600 -218.722 141.317 -139.445 141.317 80.3796 -237.96 -139.445 -237.96 -17.0922 GPRESSURE: 1453600 -134.988 65.4388 -163.41 33.6263 45.912 -283.576 -130.118 -112.125 28.9581 PRESSAVG: 1453600 15.1657 26.328 39.5669 26.328 -16.8917 -27.1945 39.5668 -27.1945 -4.62087 GPRESSAVG: 1453600 15.2933 24.4452 37.39 27.8874 -16.4594 -26.8923 39.9986 -27.3568 -4.68673 TIMING: 1453600 CPU: 4595.26, 0.00315589/step Wall: 4595.26, 0.00315589/step, 3.10891 hours remaining, 234.480469 MB of memory in use. ENERGY: 1453600 3937.8148 20534.6945 14573.4948 249.7878 -203391.6574 2889.9682 0.0000 0.0000 52223.4095 -108982.4878 300.1287 -161205.8973 -108612.1528 299.6449 -51.8114 -20.0393 763457.7244 -2.1156 -1.9509 PRESSURE: 1453800 205.202 -108.711 203.096 -108.711 -253.222 -3.29996 203.096 -3.2998 413.549 GPRESSURE: 1453800 215.316 -113.528 263.251 -6.06871 -137.407 30.0663 83.9081 -23.2962 376.206 PRESSAVG: 1453800 -16.2859 -5.03582 15.7151 -5.03589 3.00697 6.43528 15.715 6.43528 -3.85013 GPRESSAVG: 1453800 -14.9154 -3.1164 18.2965 -8.3065 2.33273 9.27429 14.4235 7.53334 -4.24441 TIMING: 1453800 CPU: 4595.9, 0.00317103/step Wall: 4595.9, 0.00317103/step, 3.12364 hours remaining, 234.480469 MB of memory in use. ENERGY: 1453800 4072.5791 20553.8855 14561.3227 251.1253 -203283.5856 2685.1855 0.0000 0.0000 52121.3127 -109038.1748 299.5419 -161159.4876 -108675.8021 300.0847 121.8427 151.3719 760430.2521 -5.7097 -5.6090 PRESSURE: 1454000 128.084 127.63 -5.44766 127.63 -384.118 276.768 -5.44797 276.767 -474.56 GPRESSURE: 1454000 115.987 66.0102 -35.1279 -22.3978 -321.99 238.408 28.1582 205.228 -433.74 PRESSAVG: 1454000 -12.2736 50.8991 -16.2078 50.8991 7.49391 -9.15714 -16.2078 -9.1571 -13.201 GPRESSAVG: 1454000 -13.8782 50.2749 -18.6313 50.2041 8.00192 -11.4584 -15.4737 -9.7993 -12.0583 TIMING: 1454000 CPU: 4596.52, 0.0031353/step Wall: 4596.52, 0.0031353/step, 3.08827 hours remaining, 234.480469 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: 1454000 4015.2095 20624.1720 14501.3015 252.2521 -202966.6712 2519.0057 0.0000 0.0000 52111.6284 -108943.1020 299.4862 -161054.7305 -108583.8952 300.2549 -243.5311 -213.2477 761503.9902 -5.9936 -5.9782 PRESSURE: 1454200 610.078 -113.498 54.2283 -113.496 454.558 -117.697 54.2287 -117.698 378.467 GPRESSURE: 1454200 726.122 -159.746 84.6796 -85.346 364.242 -113.656 88.5005 9.97463 439.159 PRESSAVG: 1454200 -4.00403 35.4535 -33.8121 35.4535 42.8379 -32.1683 -33.8121 -32.1683 -6.37519 GPRESSAVG: 1454200 -1.66781 36.5704 -31.8376 38.2779 41.7064 -31.2679 -35.1627 -33.5257 -7.60247 TIMING: 1454200 CPU: 4597.16, 0.00316179/step Wall: 4597.16, 0.00316179/step, 3.11419 hours remaining, 234.480469 MB of memory in use. ENERGY: 1454200 4024.3844 20473.1231 14640.4974 250.8522 -203171.7802 2912.9102 0.0000 0.0000 52098.0812 -108771.9316 299.4084 -160870.0128 -108417.0700 299.9127 481.0340 509.8409 760645.8304 10.8196 10.8120 PRESSURE: 1454400 243.865 80.6121 37.1 80.6126 206.368 48.3882 37.0999 48.3891 431.081 GPRESSURE: 1454400 392.098 24.4552 16.7518 165.073 198.162 37.2082 6.72773 70.5824 374.373 PRESSAVG: 1454400 -27.4144 5.21947 1.15637 5.21948 -0.737245 -10.3618 1.15638 -10.3619 -17.9544 GPRESSAVG: 1454400 -27.4995 3.84893 2.18043 3.15714 -1.88947 -13.0439 0.948647 -8.70826 -16.5513 TIMING: 1454400 CPU: 4597.79, 0.00315051/step Wall: 4597.79, 0.00315051/step, 3.1029 hours remaining, 234.480469 MB of memory in use. ENERGY: 1454400 3987.7247 20345.7542 14577.8367 232.9348 -203317.6475 2876.3681 0.0000 0.0000 52362.2875 -108934.7414 300.9268 -161297.0289 -108568.0754 300.0852 293.7714 321.5442 760047.0300 -15.3687 -15.3134 PRESSURE: 1454600 17.8711 61.6421 6.18936 61.642 -102.496 -171.314 6.18913 -171.314 -278.223 GPRESSURE: 1454600 -7.85084 32.8926 47.1967 28.7031 -129.239 -147.942 -100.86 -85.5373 -144.545 PRESSAVG: 1454600 12.7086 -5.92271 -9.19808 -5.92271 -15.2041 1.23927 -9.19802 1.23929 5.8706 GPRESSAVG: 1454600 11.2506 -5.35478 -9.70084 -6.4694 -13.5701 2.42214 -9.26319 1.77901 5.45204 TIMING: 1454600 CPU: 4598.42, 0.00317513/step Wall: 4598.42, 0.00317513/step, 3.12697 hours remaining, 234.480469 MB of memory in use. ENERGY: 1454600 3949.9297 20699.6657 14509.4953 248.8122 -203041.7969 2388.3667 0.0000 0.0000 52132.5169 -109113.0104 299.6063 -161245.5274 -108749.2088 300.0980 -120.9495 -93.8784 762353.1871 1.1250 1.0442 PRESSURE: 1454800 -92.3901 -65.7772 128.725 -65.7763 -26.5135 -159.654 128.724 -159.654 27.5196 GPRESSURE: 1454800 11.6377 -77.9661 83.9124 -29.5078 -3.83716 -276.032 110.838 -11.1654 -5.51659 PRESSAVG: 1454800 -14.2274 48.3431 53.7097 48.343 -27.4526 -40.3394 53.7097 -40.3394 -6.45274 GPRESSAVG: 1454800 -13.6179 49.0131 53.0011 48.9595 -28.5231 -39.7012 52.8858 -41.6403 -5.74273 TIMING: 1454800 CPU: 4599.06, 0.00319807/step Wall: 4599.06, 0.00319807/step, 3.14939 hours remaining, 234.480469 MB of memory in use. ENERGY: 1454800 3973.1652 20585.2752 14521.0872 251.7680 -203491.1815 2636.2230 0.0000 0.0000 52309.9814 -109213.6815 300.6262 -161523.6629 -108856.1238 299.3512 -30.4613 0.7613 764405.0781 -16.0442 -15.9612 PRESSURE: 1455000 60.3955 195.01 40.4399 195.009 -10.5278 35.5087 40.4404 35.5101 -285.117 GPRESSURE: 1455000 51.0198 138.439 113.021 178.489 87.5442 31.5842 97.7855 49.9179 -269.624 PRESSAVG: 1455000 -49.3228 47.3737 21.1219 47.3736 34.9785 -13.7311 21.1219 -13.731 16.2763 GPRESSAVG: 1455000 -49.7101 46.043 20.7613 46.9206 36.5904 -14.1656 23.3118 -12.7602 15.3319 TIMING: 1455000 CPU: 4599.69, 0.00315108/step Wall: 4599.69, 0.00315108/step, 3.10294 hours remaining, 234.480469 MB of memory in use. ENERGY: 1455000 3997.5369 20547.6974 14658.5013 246.5810 -203023.2626 2530.2766 0.0000 0.0000 51873.5751 -109169.0944 298.1181 -161042.6695 -108800.4096 299.7594 -78.4164 -43.6868 762373.6453 0.6440 0.7374 PRESSURE: 1455200 78.3649 44.0224 45.2662 44.0232 -236.3 -161.486 45.2661 -161.486 67.3904 GPRESSURE: 1455200 88.1234 75.968 -32.2959 76.6884 -115.087 -148.566 82.3542 -200.813 9.26797 PRESSAVG: 1455200 12.5763 -0.660097 15.0874 -0.660102 1.10052 44.7468 15.0874 44.7467 -7.78711 GPRESSAVG: 1455200 12.5887 0.790968 15.3211 -0.973382 -0.346718 46.117 16.9955 41.3731 -7.49623 TIMING: 1455200 CPU: 4600.32, 0.00314788/step Wall: 4600.32, 0.00314788/step, 3.09961 hours remaining, 234.480469 MB of memory in use. ENERGY: 1455200 3994.4782 20439.5466 14539.8217 253.6592 -203552.3729 3054.7557 0.0000 0.0000 51923.0837 -109347.0278 298.4027 -161270.1115 -108984.7774 299.2720 -30.1817 -5.8986 762602.6336 1.9632 1.5819 PRESSURE: 1455400 -118.346 107.712 -226.577 107.712 21.244 10.2393 -226.578 10.2402 -123.796 GPRESSURE: 1455400 -60.0017 85.8426 -225.808 153.788 76.9264 -18.5165 -160.693 38.8508 -147.973 PRESSAVG: 1455400 -6.38713 75.7773 -9.85501 75.7773 -3.70975 8.24992 -9.85507 8.24984 -7.39382 GPRESSAVG: 1455400 -5.52634 75.2249 -10.2723 75.8316 -5.28194 6.82449 -12.0587 12.2242 -7.11661 TIMING: 1455400 CPU: 4600.95, 0.00313639/step Wall: 4600.95, 0.00313639/step, 3.08812 hours remaining, 234.480469 MB of memory in use. ENERGY: 1455400 3989.6269 20400.7149 14514.2431 236.7285 -202924.5368 2389.1456 0.0000 0.0000 52054.7396 -109339.3383 299.1593 -161394.0779 -108966.4099 298.4957 -73.6327 -43.6829 763480.5200 -5.8302 -5.9750 PRESSURE: 1455600 37.6426 136.209 132.987 136.209 52.5392 -182.719 132.988 -182.719 -18.5249 GPRESSURE: 1455600 81.5633 159.425 126.308 51.2046 6.52485 -124.011 190.089 -63.8255 79.6548 PRESSAVG: 1455600 42.1617 39.0719 33.9089 39.0718 6.28604 46.9191 33.9089 46.9191 10.0554 GPRESSAVG: 1455600 40.497 39.3282 36.8717 38.188 7.66406 45.8087 33.6822 46.149 9.60108 TIMING: 1455600 CPU: 4601.58, 0.00314587/step Wall: 4601.58, 0.00314587/step, 3.09728 hours remaining, 234.480469 MB of memory in use. ENERGY: 1455600 3899.9522 20551.6331 14551.6381 235.4969 -203342.1080 2821.9281 0.0000 0.0000 51886.6240 -109394.8355 298.1931 -161281.4595 -109037.0584 298.8199 23.8856 55.9143 763434.4609 19.5010 19.2540 PRESSURE: 1455800 106.296 -39.4631 83.4437 -39.4638 -359.208 -96.3193 83.4442 -96.3188 243.599 GPRESSURE: 1455800 47.6073 -95.6042 26.2156 68.8232 -220.655 -46.3011 129.946 -171.137 216.33 PRESSAVG: 1455800 -61.2572 -0.330513 42.1956 -0.330518 38.6882 16.5727 42.1957 16.5727 9.49087 GPRESSAVG: 1455800 -61.3106 -1.08402 39.1746 2.31257 37.5824 17.4199 44.4078 18.4502 10.2232 TIMING: 1455800 CPU: 4602.21, 0.00316932/step Wall: 4602.21, 0.00316932/step, 3.1202 hours remaining, 234.480469 MB of memory in use. ENERGY: 1455800 3974.6507 20633.1388 14530.7082 238.6567 -203653.4308 3067.7861 0.0000 0.0000 51807.2730 -109401.2173 297.7371 -161208.4903 -109038.1828 299.1254 -3.1042 14.4277 763642.2764 -4.3594 -4.5017 PRESSURE: 1456000 272.827 7.07079 -53.9979 7.07174 -66.3261 157.272 -53.9985 157.273 -255.207 GPRESSURE: 1456000 218.786 74.0802 -128.936 -65.3155 -0.313934 129.916 -34.5752 121.058 -194.263 PRESSAVG: 1456000 -7.65145 0.600143 41.1108 0.600152 13.1164 -11.4437 41.1108 -11.4437 15.5096 GPRESSAVG: 1456000 -7.15876 1.43222 42.2059 -1.01419 13.665 -11.2816 39.4896 -12.5775 14.9911 TIMING: 1456000 CPU: 4602.84, 0.00316415/step Wall: 4602.84, 0.00316415/step, 3.11493 hours remaining, 234.480469 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: 1456000 4035.9919 20549.7717 14464.9154 245.8643 -203507.9798 2624.2196 0.0000 0.0000 51909.7599 -109677.4570 298.3261 -161587.2169 -109321.2354 298.9705 -16.2354 8.0696 761292.1082 6.9915 7.1658 PRESSURE: 1456200 92.9874 83.7732 29.2479 83.7732 12.7283 121.498 29.2477 121.499 216.594 GPRESSURE: 1456200 188.154 51.6652 30.3778 -71.1679 -15.8473 165.56 115.234 95.675 228.427 PRESSAVG: 1456200 -8.89249 11.3318 -20.7796 11.3318 19.3577 -3.974 -20.7796 -3.97398 12.3302 GPRESSAVG: 1456200 -8.71486 9.72389 -20.6968 14.3769 18.1423 -2.36548 -20.8492 -5.80458 13.3725 TIMING: 1456200 CPU: 4603.48, 0.00315523/step Wall: 4603.48, 0.00315523/step, 3.10598 hours remaining, 234.480469 MB of memory in use. ENERGY: 1456200 3986.7375 20540.6815 14526.9075 257.0974 -203776.3858 2779.6285 0.0000 0.0000 52134.1213 -109551.2122 299.6155 -161685.3335 -109181.5861 299.0522 107.4365 133.5781 760998.3828 7.5985 7.6000 LDB: ============= START OF LOAD BALANCING ============== 4616.01 LDB: ============== END OF LOAD BALANCING =============== 4616.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4616.01 LDB: ============= START OF LOAD BALANCING ============== 4616.33 LDB: Largest compute 7037 load 0.033009 is 16.9% of average load 0.195483 LDB: Average compute 0.004399 is 2.3% of average load 0.195483 LDB: TIME 4616.33 LOAD: AVG 0.195483 MAX 0.216522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.477 MB LDB: TIME 4616.33 LOAD: AVG 0.195483 MAX 0.216522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: TIME 4616.33 LOAD: AVG 0.195483 MAX 0.216522 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.543 MB LDB: ============== END OF LOAD BALANCING =============== 4616.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4616.34 PRESSURE: 1456400 84.9253 147.885 -49.9786 147.885 51.0963 71.4033 -49.9787 71.4044 75.8273 GPRESSURE: 1456400 115.845 195.689 -97.6946 205.425 66.3797 10.7845 -126.563 0.642852 135.074 PRESSAVG: 1456400 19.4836 30.8572 62.7166 30.8573 -16.5882 33.6518 62.7166 33.6518 2.23209 GPRESSAVG: 1456400 20.6088 31.6508 62.7356 28.3879 -16.1285 32.4797 62.9952 33.3473 1.1913 TIMING: 1456400 CPU: 4604.12, 0.00323668/step Wall: 4604.12, 0.00323668/step, 3.18597 hours remaining, 232.734375 MB of memory in use. ENERGY: 1456400 3987.8211 20729.5257 14490.6471 247.8422 -203837.2984 2645.1825 0.0000 0.0000 52204.2227 -109532.0571 300.0184 -161736.2798 -109163.1149 299.0402 70.6163 105.7660 760346.9100 1.7091 1.8905 PRESSURE: 1456600 -135.951 56.4552 37.0271 56.4544 -189.904 49.1287 37.0266 49.1294 66.8188 GPRESSURE: 1456600 -48.9162 -23.1888 -7.72917 112.663 -185.317 26.097 108.729 27.9598 50.8441 PRESSAVG: 1456600 10.9855 46.5687 57.9308 46.5687 8.3186 31.742 57.9308 31.742 32.5056 GPRESSAVG: 1456600 11.0978 44.8964 56.2676 47.5948 8.92566 32.6575 58.691 30.6681 31.8453 TIMING: 1456600 CPU: 4604.75, 0.00315884/step Wall: 4604.75, 0.00315884/step, 3.10918 hours remaining, 232.992188 MB of memory in use. ENERGY: 1456600 4048.6074 20596.2302 14503.5922 230.4211 -203762.8247 2775.7341 0.0000 0.0000 52161.4000 -109446.8397 299.7723 -161608.2397 -109086.2358 299.2639 -86.3455 -61.1296 760555.6213 17.2699 17.2896 PRESSURE: 1456800 -81.3572 -95.4043 30.7449 -95.4042 -106.348 -124.173 30.7449 -124.173 -131.04 GPRESSURE: 1456800 -6.31366 -21.3462 7.69867 -134.921 -116.729 -139.13 7.88753 -61.3801 -111.129 PRESSAVG: 1456800 -21.3661 -9.39812 23.0602 -9.39809 58.185 -5.33617 23.0602 -5.33618 -1.62637 GPRESSAVG: 1456800 -21.9437 -10.4254 25.5049 -7.75692 58.4023 -7.14182 21.2787 -3.36845 -1.28869 TIMING: 1456800 CPU: 4605.39, 0.00316115/step Wall: 4605.39, 0.00316115/step, 3.11127 hours remaining, 233.062500 MB of memory in use. ENERGY: 1456800 4046.5831 20748.6217 14510.0968 229.4421 -203640.3417 2988.6393 0.0000 0.0000 51750.0427 -109366.9161 297.4082 -161116.9588 -109006.3839 299.0227 -106.2484 -78.0571 762720.9719 11.7309 11.7233 PRESSURE: 1457000 -16.225 -38.193 59.8285 -38.1933 -108.181 55.0959 59.828 55.0959 -271.553 GPRESSURE: 1457000 77.4963 -58.3496 30.6443 -98.2634 -78.6448 -33.937 14.8896 -40.0378 -301.333 PRESSAVG: 1457000 6.68274 46.1596 7.94142 46.1596 -14.7004 -10.7619 7.94137 -10.7619 -18.5641 GPRESSAVG: 1457000 6.5844 47.221 7.3761 44.5789 -15.2203 -8.7267 9.39565 -11.8487 -18.236 TIMING: 1457000 CPU: 4606.02, 0.00314524/step Wall: 4606.02, 0.00314524/step, 3.09544 hours remaining, 233.062500 MB of memory in use. ENERGY: 1457000 4081.0826 20481.8212 14485.8718 255.5287 -203513.3098 2584.0427 0.0000 0.0000 52350.0528 -109274.9100 300.8565 -161624.9628 -108900.7519 299.4932 -131.9864 -100.8272 761194.5570 -8.8606 -8.9573 PRESSURE: 1457200 -36.6646 -198.266 188.325 -198.266 -33.5897 -111.362 188.325 -111.362 176.967 GPRESSURE: 1457200 2.65972 -229.662 216.653 -236.041 42.4594 -109.674 152.632 -28.205 135.883 PRESSAVG: 1457200 -29.2943 -12.8863 9.98294 -12.8863 47.1396 -23.1095 9.983 -23.1096 30.241 GPRESSAVG: 1457200 -29.7722 -13.7222 10.7082 -12.9654 47.7604 -23.2067 7.35678 -23.8951 30.1104 TIMING: 1457200 CPU: 4606.64, 0.00313468/step Wall: 4606.64, 0.00313468/step, 3.08487 hours remaining, 233.265625 MB of memory in use. ENERGY: 1457200 4032.3379 20550.3452 14532.6519 249.5446 -203623.3805 2681.7337 0.0000 0.0000 52046.0665 -109530.7007 299.1095 -161576.7672 -109169.2424 299.6361 35.5710 60.3342 761619.5054 16.0288 16.0328 PRESSURE: 1457400 249.451 94.9375 215.492 94.9364 -50.6961 -73.0281 215.492 -73.0278 -309.672 GPRESSURE: 1457400 343.803 108.559 186.783 150.98 -112.859 -86.3409 217.511 -26.2701 -265 PRESSAVG: 1457400 -27.6545 -43.1895 71.8899 -43.1896 12.0459 -66.5308 71.89 -66.5307 -12.888 GPRESSAVG: 1457400 -28.386 -42.7083 70.2564 -43.3028 11.1212 -66.812 75.1678 -64.5248 -11.5163 TIMING: 1457400 CPU: 4607.27, 0.00314911/step Wall: 4607.27, 0.00314911/step, 3.0989 hours remaining, 233.265625 MB of memory in use. ENERGY: 1457400 3953.9835 20677.8521 14484.8049 254.6855 -203814.4993 2832.2535 0.0000 0.0000 52060.8237 -109550.0961 299.1943 -161610.9198 -109187.1628 298.6865 -36.9725 -11.3522 761771.5163 -9.4988 -9.5937 PRESSURE: 1457600 -678.737 -85.5129 101.1 -85.5129 -468.468 -163.038 101.099 -163.039 3.40435 GPRESSURE: 1457600 -613.051 -108.622 111.26 -37.7092 -409.359 -160.378 61.6256 -76.3146 -17.2873 PRESSAVG: 1457600 29.5962 -13.3499 39.3405 -13.3499 -49.9211 -1.7701 39.3406 -1.77015 1.82547 GPRESSAVG: 1457600 31.34 -10.7357 40.3152 -13.7387 -50.5795 -2.47305 37.6163 -1.12457 0.942911 TIMING: 1457600 CPU: 4607.9, 0.0031412/step Wall: 4607.9, 0.0031412/step, 3.09095 hours remaining, 233.265625 MB of memory in use. ENERGY: 1457600 4084.4810 20550.4183 14535.2181 229.9759 -203562.6281 2772.2853 0.0000 0.0000 51941.4652 -109448.7843 298.5083 -161390.2495 -109088.7524 299.4285 -381.2667 -346.5658 761910.4791 -6.1665 -6.0988 PRESSURE: 1457800 -179.302 60.7575 208.899 60.757 13.9486 214.363 208.9 214.364 -42.9685 GPRESSURE: 1457800 -199.076 178.19 262.393 19.1446 66.8746 239.186 306.504 151.938 12.4958 PRESSAVG: 1457800 27.8943 21.2998 21.8625 21.2999 -66.7009 10.5806 21.8625 10.5807 13.377 GPRESSAVG: 1457800 26.802 20.7722 22.9447 20.9247 -66.5695 10.6743 22.8891 10.3798 14.528 TIMING: 1457800 CPU: 4608.53, 0.00313508/step Wall: 4608.53, 0.00313508/step, 3.08474 hours remaining, 233.265625 MB of memory in use. ENERGY: 1457800 4048.2822 20609.2647 14495.5572 239.4988 -203365.9617 2684.8164 0.0000 0.0000 51980.6809 -109307.8615 298.7337 -161288.5424 -108948.5334 299.6020 -69.4405 -39.9019 762728.4611 -8.4765 -8.4132 PRESSURE: 1458000 -309.839 146.394 169.4 146.395 -448.527 90.0688 169.399 90.068 42.275 GPRESSURE: 1458000 -331.352 102.053 156.388 99.3301 -386.055 156.444 172.263 15.0663 75.0671 PRESSAVG: 1458000 36.354 0.790558 40.9494 0.790609 7.31594 -17.6052 40.9494 -17.6053 -15.7925 GPRESSAVG: 1458000 35.5916 0.164069 39.1048 0.224478 8.85703 -16.7568 39.8174 -20.512 -16.9656 TIMING: 1458000 CPU: 4609.16, 0.00314841/step Wall: 4609.16, 0.00314841/step, 3.09768 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: 1458000 4035.6473 20541.3293 14487.6375 246.5880 -203288.7192 2584.0039 0.0000 0.0000 52080.4274 -109313.0858 299.3069 -161393.5131 -108950.8937 299.6357 -238.6970 -214.1135 761363.4441 9.2925 9.1610 PRESSURE: 1458200 103.539 254.352 249.219 254.351 123.891 194.972 249.219 194.972 314.462 GPRESSURE: 1458200 228.05 173.249 285.724 132.616 109.56 184.943 246.685 144.845 301.534 PRESSAVG: 1458200 31.0463 -43.5319 47.5988 -43.5319 -59.502 -9.15363 47.5987 -9.15359 22.2107 GPRESSAVG: 1458200 31.7716 -45.665 47.6835 -41.8901 -60.2885 -10.6349 48.0824 -8.59931 22.1381 TIMING: 1458200 CPU: 4609.79, 0.00315116/step Wall: 4609.79, 0.00315116/step, 3.10021 hours remaining, 233.265625 MB of memory in use. ENERGY: 1458200 3995.4233 20567.7785 14509.8443 262.1919 -203239.7478 2730.7974 0.0000 0.0000 52081.4089 -109092.3035 299.3126 -161173.7124 -108732.3117 299.8514 180.6306 213.0482 761238.3239 -2.0817 -2.1263 PRESSURE: 1458400 -94.0681 -45.2297 -93.3857 -45.2296 -63.4694 57.9037 -93.3858 57.9041 -40.139 GPRESSURE: 1458400 -47.9571 -124.63 -105.277 -160.165 -48.4296 115.849 -199.929 149.473 -25.5984 PRESSAVG: 1458400 41.4698 -85.6694 -3.46329 -85.6694 -34.3178 -3.21808 -3.46335 -3.21811 15.4812 GPRESSAVG: 1458400 41.6876 -82.62 -3.21482 -85.1821 -35.4467 -2.07448 -5.80223 -3.48795 16.1592 TIMING: 1458400 CPU: 4610.42, 0.00314475/step Wall: 4610.42, 0.00314475/step, 3.09374 hours remaining, 233.265625 MB of memory in use. ENERGY: 1458400 3891.2462 20677.5759 14496.6369 245.2577 -202877.9726 2427.0915 0.0000 0.0000 52048.0625 -109092.1019 299.1209 -161140.1644 -108738.4923 299.7260 -65.8922 -40.6617 763618.5648 7.5444 7.4667 PRESSURE: 1458600 -78.0232 -157.91 -134.338 -157.91 -24.767 86.0377 -134.338 86.0383 33.2128 GPRESSURE: 1458600 -78.734 28.2244 -116.852 -94.5442 -11.8775 55.7754 -184.368 -90.2949 99.0873 PRESSAVG: 1458600 -51.2988 -46.6442 28.6808 -46.6442 13.73 16.4122 28.6808 16.4122 12.7025 GPRESSAVG: 1458600 -51.861 -48.8553 29.2481 -47.3504 14.0681 16.3521 31.0108 16.3152 12.7191 TIMING: 1458600 CPU: 4611.04, 0.00313781/step Wall: 4611.04, 0.00313781/step, 3.08674 hours remaining, 233.265625 MB of memory in use. ENERGY: 1458600 3956.8884 20578.6299 14552.3854 237.2366 -203129.8031 2592.1080 0.0000 0.0000 52150.8372 -109061.7177 299.7116 -161212.5548 -108697.9056 299.7172 -23.1924 2.8253 763635.1317 -8.2888 -8.3579 PRESSURE: 1458800 -110.072 -91.9846 -167.664 -91.9849 -315.544 41.3784 -167.663 41.3773 -221.229 GPRESSURE: 1458800 -9.21026 58.6048 -180.456 -173.423 -266.589 90.6683 -182.025 -67.0881 -301.643 PRESSAVG: 1458800 48.3421 -36.259 15.97 -36.259 -4.9564 -36.9332 15.97 -36.9333 38.6164 GPRESSAVG: 1458800 48.0308 -34.522 14.7479 -36.6426 -4.50996 -36.0457 14.6781 -38.5445 38.3516 TIMING: 1458800 CPU: 4611.67, 0.00313766/step Wall: 4611.67, 0.00313765/step, 3.08641 hours remaining, 233.265625 MB of memory in use. ENERGY: 1458800 4052.9177 20574.9078 14525.1616 230.6988 -203032.7221 2575.2924 0.0000 0.0000 52078.1039 -108995.6400 299.2936 -161073.7438 -108630.5669 299.8764 -215.6148 -192.4806 763454.0429 27.3341 27.2908 PRESSURE: 1459000 -77.1419 152.605 -164.999 152.606 28.2949 -91.3045 -164.998 -91.3045 -114.478 GPRESSURE: 1459000 -100.427 239.671 -142.452 15.3343 90.2694 -117.281 -68.2948 -92.0446 -78.5792 PRESSAVG: 1459000 -59.7665 -35.2806 -31.8742 -35.2807 63.7467 -4.54245 -31.8742 -4.54243 9.94421 GPRESSAVG: 1459000 -59.121 -35.1924 -31.9641 -36.2064 64.2495 -5.8679 -29.1821 -2.19286 9.00902 TIMING: 1459000 CPU: 4612.3, 0.00314747/step Wall: 4612.3, 0.00314747/step, 3.09588 hours remaining, 233.265625 MB of memory in use. ENERGY: 1459000 3992.5158 20520.9473 14546.5075 246.4263 -203290.9971 2885.2658 0.0000 0.0000 52191.0822 -108908.2521 299.9429 -161099.3343 -108545.6033 300.3233 -54.4416 -29.5788 763862.1694 4.6415 4.7125 PRESSURE: 1459200 -282.234 -99.0101 -185.054 -99.0103 -152.329 70.283 -185.054 70.2826 -371.167 GPRESSURE: 1459200 -294.807 -80.6049 -239.171 -137.88 -124.894 76.2612 -135.541 153.023 -286.569 PRESSAVG: 1459200 7.25282 -4.7442 -25.6355 -4.74425 39.5357 4.63366 -25.6355 4.63368 -1.15629 GPRESSAVG: 1459200 6.62202 -2.85308 -24.4215 -3.59336 40.2164 4.25364 -28.036 5.77001 -0.894951 TIMING: 1459200 CPU: 4612.93, 0.00312588/step Wall: 4612.93, 0.00312588/step, 3.07448 hours remaining, 233.265625 MB of memory in use. ENERGY: 1459200 4015.9904 20564.6894 14558.5217 244.8842 -203211.8558 2595.5790 0.0000 0.0000 52084.4096 -109147.7817 299.3298 -161232.1913 -108784.1797 299.6594 -268.5767 -235.4234 761838.1720 15.2107 15.3145 PRESSURE: 1459400 -263.868 -140.278 -133.76 -140.279 -56.6611 -239.045 -133.76 -239.046 205.352 GPRESSURE: 1459400 -245.082 -104.089 -112.667 -164.981 -38.4463 -254.383 -249.489 -247.197 251.754 PRESSAVG: 1459400 -18.0643 -44.9267 48.0631 -44.9267 32.4282 15.5717 48.0631 15.5716 10.8711 GPRESSAVG: 1459400 -18.457 -45.4087 46.8638 -44.894 31.1277 14.3815 48.4223 14.4273 12.3277 TIMING: 1459400 CPU: 4613.55, 0.00313703/step Wall: 4613.55, 0.00313703/step, 3.08527 hours remaining, 233.265625 MB of memory in use. ENERGY: 1459400 4017.9559 20643.5967 14512.6971 266.0434 -203320.0422 2690.4519 0.0000 0.0000 51904.5019 -109284.7952 298.2959 -161189.2971 -108920.6204 299.0846 -38.3926 -10.5913 763250.4912 8.4117 8.3328 PRESSURE: 1459600 -62.134 -82.0969 -11.3467 -82.0974 251.973 152.518 -11.3468 152.518 -76.4125 GPRESSURE: 1459600 -76.41 -47.3154 38.9842 49.5539 282.719 216.886 21.8204 108.594 -20.1662 PRESSAVG: 1459600 -29.6754 -27.3876 24.4818 -27.3875 33.7389 7.68251 24.4818 7.68242 -7.16741 GPRESSAVG: 1459600 -29.4229 -27.0689 25.8677 -27.6181 33.8826 9.85896 24.6693 6.49841 -7.39885 TIMING: 1459600 CPU: 4614.19, 0.00315629/step Wall: 4614.19, 0.00315629/step, 3.10404 hours remaining, 233.265625 MB of memory in use. ENERGY: 1459600 3911.3121 20474.6184 14542.1634 265.5305 -203485.8503 2716.9469 0.0000 0.0000 52031.3368 -109543.9423 299.0248 -161575.2791 -109183.7056 298.6256 37.8089 62.0476 761665.2198 -1.0346 -0.9797 PRESSURE: 1459800 179.919 -79.6053 84.7041 -79.604 -67.4687 205.067 84.7038 205.066 160.023 GPRESSURE: 1459800 194.234 -61.4689 -27.7548 -73.6407 10.3999 222.032 -10.4096 99.5232 151.087 PRESSAVG: 1459800 -19.069 -28.4566 12.551 -28.4566 8.18308 34.5084 12.551 34.5084 -8.62268 GPRESSAVG: 1459800 -18.1276 -29.2688 11.1693 -28.7136 8.52196 33.0787 11.9746 34.9713 -9.84474 TIMING: 1459800 CPU: 4614.82, 0.00315223/step Wall: 4614.82, 0.00315223/step, 3.09986 hours remaining, 233.265625 MB of memory in use. ENERGY: 1459800 4008.7029 20391.1956 14573.4012 247.5772 -203774.9094 2834.0881 0.0000 0.0000 52063.5256 -109656.4188 299.2098 -161719.9444 -109287.8111 298.5216 90.8247 118.5737 761595.7866 -6.5029 -6.4835 PRESSURE: 1460000 -211.098 123.472 -127.579 123.472 -12.4681 140.529 -127.58 140.53 28.2292 GPRESSURE: 1460000 -211.428 87.9759 -176.273 201.064 -16.8918 151.709 129.594 146.179 106.27 PRESSAVG: 1460000 -43.2249 10.3282 22.9717 10.3282 15.2147 17.8025 22.9717 17.8025 -9.56975 GPRESSAVG: 1460000 -42.667 9.96627 22.3648 9.68953 13.7835 17.5593 23.5829 19.0765 -8.3194 TIMING: 1460000 CPU: 4615.45, 0.00315243/step Wall: 4615.45, 0.00315243/step, 3.09989 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: 1460000 4019.2620 20506.4719 14543.1351 249.7443 -203547.9490 2937.4335 0.0000 0.0000 51928.6588 -109363.2434 298.4347 -161291.9022 -109002.3123 298.6252 -65.1124 -40.6835 762970.8244 -12.5266 -12.4010 PRESSURE: 1460200 -496.668 244.712 104.185 244.711 -311.975 167.951 104.185 167.951 -302.574 GPRESSURE: 1460200 -389.515 250.205 102.07 108.702 -355.476 150.421 32.6974 205.509 -268.571 PRESSAVG: 1460200 -10.1321 -9.16189 -36.2366 -9.1619 3.87085 42.8117 -36.2366 42.8118 10.7994 GPRESSAVG: 1460200 -10.7475 -8.40201 -34.8897 -9.47618 5.88169 44.2748 -37.7236 42.4702 9.36466 TIMING: 1460200 CPU: 4616.07, 0.0031421/step Wall: 4616.07, 0.0031421/step, 3.08956 hours remaining, 233.265625 MB of memory in use. ENERGY: 1460200 4034.3386 20575.7382 14475.7271 264.6090 -203305.6650 2430.4158 0.0000 0.0000 52017.7173 -109507.1191 298.9465 -161524.8363 -109146.6169 299.1321 -370.4055 -337.8541 763761.1406 1.5127 1.4996 LDB: ============= START OF LOAD BALANCING ============== 4628.61 LDB: ============== END OF LOAD BALANCING =============== 4628.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4628.61 LDB: ============= START OF LOAD BALANCING ============== 4628.93 LDB: Largest compute 7037 load 0.031517 is 16.1% of average load 0.195398 LDB: Average compute 0.004399 is 2.3% of average load 0.195398 LDB: TIME 4628.93 LOAD: AVG 0.195398 MAX 0.214555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.734 MB LDB: TIME 4628.93 LOAD: AVG 0.195398 MAX 0.214555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.734 MB LDB: TIME 4628.93 LOAD: AVG 0.195398 MAX 0.214555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.734 MB LDB: ============== END OF LOAD BALANCING =============== 4628.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4628.94 PRESSURE: 1460400 -257.739 18.0559 72.5923 18.0558 234.123 148.918 72.592 148.918 528.992 GPRESSURE: 1460400 -162.039 26.9603 157.825 8.75748 190.423 178.873 176.815 126.806 535.762 PRESSAVG: 1460400 -13.3476 3.94697 24.8828 3.94696 82.6462 2.77265 24.8828 2.77268 -17.61 GPRESSAVG: 1460400 -13.2652 5.37565 24.5949 3.33239 81.8452 3.20177 28.6858 1.55782 -16.4942 TIMING: 1460400 CPU: 4616.72, 0.00322395/step Wall: 4616.72, 0.00322395/step, 3.16986 hours remaining, 234.203125 MB of memory in use. ENERGY: 1460400 3944.5502 20585.6357 14555.3675 251.6532 -203241.5149 2521.0625 0.0000 0.0000 52087.3033 -109295.9424 299.3464 -161383.2457 -108946.3169 298.9708 168.4587 188.0485 762888.1764 17.2295 17.3620 PRESSURE: 1460600 -250.389 -215.995 -385.969 -215.995 -117.547 29.5475 -385.969 29.5462 -224.159 GPRESSURE: 1460600 -185.753 -225.153 -309.211 -91.838 -64.9086 -24.0568 -249.367 -14.3133 -241.12 PRESSAVG: 1460600 2.3569 7.86785 -17.8381 7.86789 21.542 5.97191 -17.8382 5.97196 1.58835 GPRESSAVG: 1460600 2.00309 5.1182 -17.4699 9.23041 22.4837 5.5871 -19.0113 6.68834 0.568906 TIMING: 1460600 CPU: 4617.35, 0.00313322/step Wall: 4617.35, 0.00313322/step, 3.08048 hours remaining, 234.406250 MB of memory in use. ENERGY: 1460600 4019.6396 20287.4007 14621.6206 243.5033 -202999.4135 2539.1424 0.0000 0.0000 51890.8356 -109397.2713 298.2173 -161288.1069 -109046.3909 299.2424 -197.3651 -163.9272 763063.1767 8.4958 8.3519 PRESSURE: 1460800 -22.3508 110.234 140.782 110.233 51.6415 9.3228 140.782 9.32331 47.3166 GPRESSURE: 1460800 14.0259 -16.4988 100.176 135.735 181.676 -70.8567 127.043 92.4035 -41.2255 PRESSAVG: 1460800 -10.458 2.28166 -20.2237 2.28158 -15.6852 54.9669 -20.2236 54.9668 14.8821 GPRESSAVG: 1460800 -10.1207 4.0408 -20.2803 2.59309 -16.7746 54.2863 -20.5077 57.1571 15.1659 TIMING: 1460800 CPU: 4617.98, 0.00316519/step Wall: 4617.98, 0.00316519/step, 3.11173 hours remaining, 234.406250 MB of memory in use. ENERGY: 1460800 3958.7932 20492.1584 14582.2866 249.3846 -203180.0974 2575.7399 0.0000 0.0000 51911.1446 -109410.5901 298.3341 -161321.7347 -109043.6586 299.1574 25.5358 51.4920 761832.0781 -3.7537 -3.9098 PRESSURE: 1461000 116.422 116.415 -63.4785 116.414 -84.1827 -13.8735 -63.4779 -13.8726 61.421 GPRESSURE: 1461000 184.073 219.902 -37.1165 74.8877 -66.0079 21.036 -30.2337 35.5582 62.3969 PRESSAVG: 1461000 -21.5447 31.2513 38.4257 31.2513 30.6195 -25.9052 38.4258 -25.9052 -4.41904 GPRESSAVG: 1461000 -22.2683 30.9918 39.2304 28.7361 30.2205 -24.4802 37.2723 -28.9695 -4.38335 TIMING: 1461000 CPU: 4618.61, 0.00316984/step Wall: 4618.61, 0.00316984/step, 3.11613 hours remaining, 234.406250 MB of memory in use. ENERGY: 1461000 4024.0729 20492.6306 14520.8185 264.5887 -203167.0224 2495.0092 0.0000 0.0000 51787.6614 -109582.2412 297.6244 -161369.9026 -109220.4990 298.4391 31.2202 60.1539 760016.3318 1.5519 1.1896 PRESSURE: 1461200 -123.405 -182.462 58.8629 -182.463 8.74993 79.3878 58.8631 79.3869 229.656 GPRESSURE: 1461200 -71.541 -177.872 28.5094 -68.4134 58.7058 -38.1345 150.093 -16.9595 211.987 PRESSAVG: 1461200 -27.5545 -7.50489 -16.8188 -7.50489 34.1073 29.9788 -16.8188 29.9788 21.8542 GPRESSAVG: 1461200 -26.8416 -8.57682 -19.0887 -5.4778 34.3008 29.4824 -15.6876 31.3375 21.0848 TIMING: 1461200 CPU: 4619.24, 0.00315265/step Wall: 4619.24, 0.00315265/step, 3.09905 hours remaining, 234.406250 MB of memory in use. ENERGY: 1461200 3963.2192 20501.3335 14556.8801 248.8622 -203122.1993 2504.4702 0.0000 0.0000 51930.6061 -109416.8281 298.4459 -161347.4342 -109066.5862 298.7934 38.3337 66.3839 761105.6010 9.4690 9.5147 PRESSURE: 1461400 -293.42 2.328 -136.28 2.32792 -228.287 -38.847 -136.28 -38.8477 -227.168 GPRESSURE: 1461400 -291.407 -0.942002 -160.356 152.163 -153.785 -56.0295 -5.3632 42.2923 -250.184 PRESSAVG: 1461400 -55.094 -17.0798 17.9618 -17.0799 45.8335 -31.7245 17.9618 -31.7245 15.4199 GPRESSAVG: 1461400 -56.0056 -17.1385 18.3749 -17.6528 46.1095 -32.2621 17.9327 -32.3738 16.2206 TIMING: 1461400 CPU: 4619.87, 0.0031539/step Wall: 4619.87, 0.0031539/step, 3.10011 hours remaining, 234.406250 MB of memory in use. ENERGY: 1461400 4029.3680 20385.4460 14595.1714 251.0317 -203313.9356 2431.3060 0.0000 0.0000 52141.7694 -109479.8431 299.6595 -161621.6125 -109116.2133 298.5885 -249.6249 -231.7922 762210.6836 2.0531 2.1082 PRESSURE: 1461600 -239.923 -124.481 108.048 -124.481 3.79641 249.316 108.049 249.316 -100.338 GPRESSURE: 1461600 -188.753 -194.404 166.27 -98.4287 -28.183 355.228 114.582 207.754 -24.627 PRESSAVG: 1461600 43.6674 21.214 -17.1547 21.214 14.6546 20.9213 -17.1546 20.9212 5.07849 GPRESSAVG: 1461600 43.7846 21.7478 -15.947 21.3181 15.2351 21.4267 -16.5247 20.7527 4.26671 TIMING: 1461600 CPU: 4620.5, 0.00314959/step Wall: 4620.5, 0.00314959/step, 3.0957 hours remaining, 234.406250 MB of memory in use. ENERGY: 1461600 3996.4448 20483.5352 14612.8421 239.1563 -203365.9211 2691.6398 0.0000 0.0000 51786.4030 -109555.8998 297.6172 -161342.3029 -109199.8486 298.7474 -112.1551 -80.5211 760080.4184 21.1335 21.0955 PRESSURE: 1461800 0.999597 -153.217 -126.126 -153.218 241.323 -103.674 -126.127 -103.675 62.3094 GPRESSURE: 1461800 47.5702 -98.6161 -190.42 -192.797 253.856 -172.666 -152.969 -129.898 69.6243 PRESSAVG: 1461800 -27.3097 0.300476 3.85392 0.300474 31.8105 -40.8612 3.85396 -40.8612 -9.16238 GPRESSAVG: 1461800 -26.284 -0.269674 1.19467 -0.957234 30.4269 -40.9871 4.238 -39.6247 -9.17561 TIMING: 1461800 CPU: 4621.13, 0.00313564/step Wall: 4621.13, 0.00313564/step, 3.08181 hours remaining, 234.406250 MB of memory in use. ENERGY: 1461800 3991.7595 20382.9620 14496.9262 232.1900 -203230.8172 2539.5950 0.0000 0.0000 52005.6615 -109581.7230 298.8773 -161587.3845 -109215.0111 299.0348 101.5439 123.6836 760946.8532 -1.5538 -1.6776 PRESSURE: 1462000 -221.317 14.1269 -171.499 14.127 -30.1665 -222.17 -171.498 -222.17 -5.212 GPRESSURE: 1462000 -134.187 -19.2734 -59.2661 155.8 1.57203 -188.379 -209.809 -114.916 -22.1087 PRESSAVG: 1462000 18.2049 -9.41122 -71.9902 -9.41128 -26.0327 -20.4599 -71.9901 -20.4599 13.2384 GPRESSAVG: 1462000 16.6661 -9.15822 -69.6437 -9.13117 -24.4884 -21.2248 -72.8174 -20.5595 13.2468 TIMING: 1462000 CPU: 4621.76, 0.00312229/step Wall: 4621.76, 0.00312229/step, 3.06852 hours remaining, 234.406250 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: 1462000 3985.8822 20500.0302 14588.9625 231.3533 -203477.5216 2698.8385 0.0000 0.0000 51889.2357 -109583.2192 298.2082 -161472.4550 -109220.3132 298.3638 -85.5651 -51.5745 761489.4476 1.8036 1.8081 PRESSURE: 1462200 -34.4645 49.8286 -36.2237 49.8291 -26.6596 -58.3063 -36.2233 -58.3061 313.276 GPRESSURE: 1462200 -39.4811 112.312 -56.1098 106.359 75.0725 -159.575 -29.1582 -62.1665 301.667 PRESSAVG: 1462200 0.0938139 -0.968202 16.1976 -0.968155 -9.89654 67.1717 16.1976 67.1717 -21.6204 GPRESSAVG: 1462200 0.184864 -1.24501 17.2689 0.343424 -11.2437 67.9192 15.2918 67.5401 -21.1716 TIMING: 1462200 CPU: 4622.38, 0.00313767/step Wall: 4622.38, 0.00313767/step, 3.08346 hours remaining, 234.406250 MB of memory in use. ENERGY: 1462200 3960.3977 20411.7223 14477.6497 240.0430 -203429.1197 2677.4023 0.0000 0.0000 51860.0184 -109801.8863 298.0402 -161661.9047 -109452.3249 298.1903 84.0506 112.4195 762975.3070 -10.4744 -10.7435 PRESSURE: 1462400 43.0366 82.4704 -83.4035 82.4699 -47.4365 -6.68044 -83.4041 -6.68032 -266.068 GPRESSURE: 1462400 69.9195 44.5375 -97.4522 135.349 -25.3308 18.2797 -42.989 -23.7014 -241.227 PRESSAVG: 1462400 -9.57237 -9.79755 36.9598 -9.79752 -24.3389 28.6544 36.9599 28.6544 25.2843 GPRESSAVG: 1462400 -8.77906 -7.95349 35.7469 -11.0356 -23.7107 26.9322 36.9333 28.2516 24.1899 TIMING: 1462400 CPU: 4623.01, 0.00313765/step Wall: 4623.01, 0.00313765/step, 3.08326 hours remaining, 234.406250 MB of memory in use. ENERGY: 1462400 3943.7752 20329.2542 14548.5830 235.9617 -203451.1631 2616.1130 0.0000 0.0000 51793.4402 -109984.0358 297.6576 -161777.4760 -109621.3084 298.3883 -90.1559 -65.5460 762295.5091 -2.8757 -2.7666 PRESSURE: 1462600 -195.797 209.201 -463.181 209.201 228.352 16.0517 -463.181 16.0518 278.09 GPRESSURE: 1462600 -140.263 199.355 -369.12 178.578 324.377 100.921 -280.786 -101.343 211.3 PRESSAVG: 1462600 16.6063 -7.08735 -7.99702 -7.08731 -38.3705 -25.8606 -7.99699 -25.8606 -29.8748 GPRESSAVG: 1462600 14.9133 -8.2585 -6.89261 -6.42304 -37.9199 -23.0386 -7.85074 -26.741 -28.8384 TIMING: 1462600 CPU: 4623.64, 0.0031381/step Wall: 4623.64, 0.00313811/step, 3.08354 hours remaining, 234.406250 MB of memory in use. ENERGY: 1462600 3914.5840 20386.6319 14522.4512 241.9393 -203963.6168 2975.6128 0.0000 0.0000 51932.7701 -109989.6276 298.4583 -161922.3977 -109624.6788 297.9486 103.5482 131.8047 760353.0325 -17.2130 -17.2816 PRESSURE: 1462800 127.987 7.09394 -47.0647 7.09405 108.305 29.9066 -47.0648 29.9058 280.373 GPRESSURE: 1462800 137.687 25.3098 4.71814 146.598 167.899 -23.9732 -43.1092 -15.9691 302.041 PRESSAVG: 1462800 22.9023 57.2375 -13.1399 57.2374 -8.68875 -5.3275 -13.14 -5.3275 10.0082 GPRESSAVG: 1462800 25.3505 58.9237 -13.8272 55.7562 -10.0548 -7.20731 -13.2286 -4.20109 8.60834 TIMING: 1462800 CPU: 4624.27, 0.00315389/step Wall: 4624.27, 0.00315388/step, 3.09887 hours remaining, 234.406250 MB of memory in use. ENERGY: 1462800 3952.3872 20383.7910 14509.5857 241.9890 -203591.5100 2865.5106 0.0000 0.0000 51802.2798 -109835.9667 297.7084 -161638.2465 -109484.0894 298.0917 172.2218 202.5425 760288.7252 8.0739 7.9680 PRESSURE: 1463000 -19.0483 -120.244 -66.2385 -120.243 -275.894 -132.66 -66.2386 -132.66 -6.66014 GPRESSURE: 1463000 -40.7704 -94.8006 34.6064 -216.378 -144.619 -89.0892 47.9336 52.7607 -47.1402 PRESSAVG: 1463000 -2.36759 -4.88058 42.0091 -4.88058 3.71435 -28.0871 42.0092 -28.0871 0.932275 GPRESSAVG: 1463000 -4.0231 -7.56177 42.7239 -4.66727 4.2376 -26.7764 41.4835 -27.8146 2.56442 TIMING: 1463000 CPU: 4624.9, 0.00315469/step Wall: 4624.9, 0.00315469/step, 3.09948 hours remaining, 234.406250 MB of memory in use. ENERGY: 1463000 3922.5919 20470.7938 14606.1995 253.9636 -203932.8578 2936.2180 0.0000 0.0000 51933.0658 -109810.0253 298.4600 -161743.0911 -109445.8408 298.8898 -100.5342 -77.5100 760241.9486 0.7597 0.9263 PRESSURE: 1463200 -123.982 -266.453 28.0752 -266.453 -160.309 12.1983 28.0752 12.1975 -214.379 GPRESSURE: 1463200 14.743 -140.485 4.86908 -275.533 -249.428 118.412 25.3178 61.4244 -176.494 PRESSAVG: 1463200 -14.3663 20.2188 -10.6197 20.2188 28.7504 29.5352 -10.6197 29.5352 -27.4437 GPRESSAVG: 1463200 -12.8694 22.3467 -11.4174 20.8732 28.4284 31.4223 -10.4501 28.3751 -28.3096 TIMING: 1463200 CPU: 4625.53, 0.00313905/step Wall: 4625.53, 0.00313905/step, 3.08394 hours remaining, 234.406250 MB of memory in use. ENERGY: 1463200 4101.3878 20466.4332 14573.2308 255.9928 -203847.9342 2755.2336 0.0000 0.0000 52052.7385 -109642.9175 299.1478 -161695.6560 -109294.2438 299.0088 -166.2233 -137.0597 759890.5464 -4.3532 -4.2502 PRESSURE: 1463400 82.5509 23.3621 -44.3393 23.3619 -216.513 49.1564 -44.339 49.1557 -48.6041 GPRESSURE: 1463400 55.8285 21.2842 0.875316 -60.5534 -158.922 45.6702 11.874 33.7902 -22.8074 PRESSAVG: 1463400 43.5501 22.2794 6.86727 22.2794 -28.907 35.0908 6.86725 35.0909 -5.60489 GPRESSAVG: 1463400 43.0674 20.933 8.22463 23.5083 -28.9481 32.1375 7.30469 35.898 -5.45289 TIMING: 1463400 CPU: 4626.15, 0.00313452/step Wall: 4626.15, 0.00313452/step, 3.07931 hours remaining, 234.406250 MB of memory in use. ENERGY: 1463400 3977.3545 20561.3995 14572.6997 253.1767 -203533.5114 2682.5338 0.0000 0.0000 51911.1291 -109575.2180 298.3340 -161486.3471 -109213.6930 298.9275 -60.8554 -41.9669 761142.4795 3.0127 2.8888 PRESSURE: 1463600 -32.8839 40.2628 159.91 40.2627 -8.39654 156.078 159.91 156.076 -218.491 GPRESSURE: 1463600 -43.1909 129.007 127.984 -1.64059 2.49366 121.092 116.648 170.684 -142.276 PRESSAVG: 1463600 82.1125 -29.3504 -33.0729 -29.3504 -77.1052 -10.2758 -33.0728 -10.2758 2.66332 GPRESSAVG: 1463600 81.0477 -28.6844 -34.8854 -29.7146 -76.6124 -8.45567 -32.6638 -12.8072 3.35818 TIMING: 1463600 CPU: 4626.79, 0.00317334/step Wall: 4626.79, 0.00317334/step, 3.11728 hours remaining, 234.406250 MB of memory in use. ENERGY: 1463600 3957.3976 20491.6578 14567.0482 242.2197 -203490.4889 2615.6126 0.0000 0.0000 51900.9502 -109715.6028 298.2755 -161616.5530 -109352.4435 298.7202 -86.5904 -60.9912 759466.0258 2.5569 2.5978 PRESSURE: 1463800 -29.1523 81.0297 -326.41 81.0289 -173.117 5.90057 -326.41 5.9011 -219.143 GPRESSURE: 1463800 -74.0992 -111.788 -280.22 114.73 -72.6869 39.424 -321.194 5.87262 -201.992 PRESSAVG: 1463800 52.7197 -41.3318 3.91618 -41.3317 -34.0444 49.4711 3.91619 49.4711 -10.2538 GPRESSAVG: 1463800 52.9552 -41.1963 4.17626 -41.1073 -34.3632 47.2732 4.51553 52.2957 -9.97214 TIMING: 1463800 CPU: 4627.42, 0.00315944/step Wall: 4627.42, 0.00315944/step, 3.10345 hours remaining, 234.406250 MB of memory in use. ENERGY: 1463800 4006.1071 20636.7209 14526.5044 255.3417 -203482.4329 2666.0513 0.0000 0.0000 51803.6422 -109588.0654 297.7162 -161391.7076 -109236.7132 298.3008 -140.4707 -116.2594 762361.8884 2.8072 2.8733 PRESSURE: 1464000 -123.239 122.384 -228.656 122.384 -149.514 -87.2429 -228.657 -87.2428 -56.178 GPRESSURE: 1464000 -64.7719 -29.7147 -179.332 72.3181 -66.7949 -177.707 -190.65 24.31 -140.358 PRESSAVG: 1464000 -39.9335 31.7781 -12.3388 31.7781 -5.40052 -4.26945 -12.3388 -4.26949 -8.18367 GPRESSAVG: 1464000 -39.0297 30.1085 -12.5491 32.1437 -4.56025 -3.97799 -12.3396 -5.16031 -10.1143 TIMING: 1464000 CPU: 4628.06, 0.00317072/step Wall: 4628.06, 0.00317072/step, 3.11435 hours remaining, 234.406250 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: 1464000 4044.1426 20474.0697 14578.6592 277.3091 -203539.1942 2673.4583 0.0000 0.0000 51979.1959 -109512.3594 298.7252 -161491.5552 -109159.6728 298.5514 -109.6436 -90.6416 762630.2481 -17.8392 -17.9014 PRESSURE: 1464200 -40.8356 51.1962 18.2672 51.1965 375.372 64.2101 18.2671 64.2102 403.515 GPRESSURE: 1464200 103.678 -33.9293 -22.6854 8.72307 404.677 53.7527 92.3547 -1.58134 329.05 PRESSAVG: 1464200 0.0758825 -8.67796 -14.0034 -8.67799 8.21154 -33.8149 -14.0034 -33.8148 -18.4305 GPRESSAVG: 1464200 -0.517746 -7.35927 -13.5338 -9.33858 8.27363 -32.6617 -16.1931 -33.3322 -17.2223 TIMING: 1464200 CPU: 4628.69, 0.00314997/step Wall: 4628.69, 0.00314997/step, 3.0938 hours remaining, 234.406250 MB of memory in use. ENERGY: 1464200 3877.7777 20493.1359 14510.2241 251.6563 -203723.4041 3059.9709 0.0000 0.0000 51937.7794 -109592.8599 298.4871 -161530.6393 -109231.9027 298.9121 246.0172 279.1350 760733.2848 -3.3810 -3.1555 LDB: ============= START OF LOAD BALANCING ============== 4641.22 LDB: ============== END OF LOAD BALANCING =============== 4641.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4641.22 LDB: ============= START OF LOAD BALANCING ============== 4641.54 LDB: Largest compute 7060 load 0.033301 is 17.0% of average load 0.195329 LDB: Average compute 0.004401 is 2.3% of average load 0.195329 LDB: TIME 4641.55 LOAD: AVG 0.195329 MAX 0.21692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.766 MB LDB: TIME 4641.55 LOAD: AVG 0.195329 MAX 0.21692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.789 MB LDB: TIME 4641.55 LOAD: AVG 0.195329 MAX 0.21692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.789 MB LDB: ============== END OF LOAD BALANCING =============== 4641.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4641.55 PRESSURE: 1464400 -88.9725 -195.189 -198.161 -195.188 89.6394 85.846 -198.162 85.8455 487.223 GPRESSURE: 1464400 -20.4784 -133.297 -228.293 -123.082 176.289 112.433 -23.8262 21.8311 412.792 PRESSAVG: 1464400 1.20839 -8.26174 -8.3737 -8.26186 -11.513 26.1116 -8.3737 26.1116 21.9863 GPRESSAVG: 1464400 2.69974 -7.27093 -8.26105 -8.32032 -13.1205 25.3689 -4.49817 26.9948 22.4869 TIMING: 1464400 CPU: 4629.34, 0.00325634/step Wall: 4629.34, 0.00325634/step, 3.19809 hours remaining, 233.902344 MB of memory in use. ENERGY: 1464400 3945.7720 20321.6291 14494.7193 246.0599 -203833.7219 2992.8634 0.0000 0.0000 52174.1459 -109658.5323 299.8455 -161832.6782 -109297.4039 298.9310 162.6299 189.5343 760922.1466 3.8939 4.0221 PRESSURE: 1464600 304.953 63.9233 52.5952 63.9231 78.1173 199.159 52.5951 199.16 -40.1467 GPRESSURE: 1464600 322.432 115.457 37.4313 207.858 96.78 219.942 -75.5821 156.021 -7.29752 PRESSAVG: 1464600 -6.74101 3.42311 18.352 3.42306 28.7309 -14.7297 18.352 -14.7297 7.76133 GPRESSAVG: 1464600 -7.64211 2.80852 18.5542 5.43135 29.0621 -13.8916 14.9561 -15.3653 8.00995 TIMING: 1464600 CPU: 4629.96, 0.00313761/step Wall: 4629.96, 0.00313761/step, 3.08131 hours remaining, 233.902344 MB of memory in use. ENERGY: 1464600 3969.0408 20454.9485 14515.6959 219.0462 -203737.8448 2756.9600 0.0000 0.0000 52253.0150 -109569.1384 300.2988 -161822.1534 -109203.3682 298.7281 114.3078 137.3050 760002.6238 9.9171 9.8100 PRESSURE: 1464800 170.546 -68.8541 -20.4147 -68.8545 -61.401 81.7349 -20.4141 81.7339 -5.79561 GPRESSURE: 1464800 109.81 -100.576 -71.08 69.7605 -22.9785 115.532 133.685 159.921 89.2704 PRESSAVG: 1464800 58.4459 15.7439 -19.6604 15.7438 -19.0854 -15.1552 -19.6603 -15.1552 25.6784 GPRESSAVG: 1464800 57.9329 17.489 -20.8522 13.8161 -16.6991 -14.8586 -18.08 -16.0808 23.9636 TIMING: 1464800 CPU: 4630.6, 0.00316397/step Wall: 4630.6, 0.00316397/step, 3.10702 hours remaining, 233.902344 MB of memory in use. ENERGY: 1464800 3923.5875 20440.1586 14477.2410 250.1036 -203573.8588 2565.6448 0.0000 0.0000 52007.1403 -109909.9830 298.8858 -161917.1233 -109536.8247 298.6700 34.4497 58.7007 760460.6310 21.6797 21.7325 PRESSURE: 1465000 431.338 108.797 93.9433 108.796 11.1206 21.5498 93.9436 21.55 147.743 GPRESSURE: 1465000 434.95 57.952 112.191 44.9276 65.1471 61.152 104.347 -56.8284 181.77 PRESSAVG: 1465000 65.843 32.3419 -14.3648 32.342 -33.5361 29.7037 -14.3649 29.7037 7.33075 GPRESSAVG: 1465000 65.5963 30.8998 -14.7926 33.2593 -34.5595 30.021 -14.337 29.387 8.39063 TIMING: 1465000 CPU: 4631.23, 0.00317819/step Wall: 4631.23, 0.00317819/step, 3.12081 hours remaining, 233.902344 MB of memory in use. ENERGY: 1465000 4034.2103 20441.7609 14553.3294 247.3351 -203710.1948 2810.6019 0.0000 0.0000 51915.7167 -109707.2404 298.3603 -161622.9571 -109354.3068 298.1947 196.7338 227.2889 761067.5176 13.2125 13.1425 PRESSURE: 1465200 -94.614 -65.8538 -38.8432 -65.8537 58.1144 -103.633 -38.8422 -103.634 215.481 GPRESSURE: 1465200 -60.1367 -59.4574 -80.5045 -145.915 118.577 -134.092 13.3474 -8.90284 208.527 PRESSAVG: 1465200 18.3096 -87.8858 -103.688 -87.8858 -30.8863 31.7459 -103.688 31.7459 -7.11252 GPRESSAVG: 1465200 17.6429 -86.5879 -104.376 -89.9496 -29.6677 30.0643 -102.864 32.7179 -6.93619 TIMING: 1465200 CPU: 4631.86, 0.00312976/step Wall: 4631.86, 0.00312976/step, 3.07307 hours remaining, 233.902344 MB of memory in use. ENERGY: 1465200 3913.5555 20522.6464 14540.6874 242.4124 -203710.4070 2789.7962 0.0000 0.0000 51922.4083 -109778.9008 298.3988 -161701.3091 -109423.7496 298.5176 59.6604 88.9892 764018.8401 -6.5631 -6.3203 PRESSURE: 1465400 -205.888 25.9601 38.2806 25.9609 -279.967 -89.1768 38.2804 -89.1761 156.008 GPRESSURE: 1465400 -110.373 -88.5659 112.769 52.0009 -247.877 -70.3213 73.0471 -11.0673 99.7615 PRESSAVG: 1465400 -7.45518 16.9488 -77.7365 16.9488 33.8848 -17.8082 -77.7366 -17.8083 2.4321 GPRESSAVG: 1465400 -6.36811 16.0522 -76.3174 18.2186 32.1683 -16.9691 -76.8533 -16.6864 2.98807 TIMING: 1465400 CPU: 4632.49, 0.00316613/step Wall: 4632.49, 0.00316613/step, 3.10861 hours remaining, 234.105469 MB of memory in use. ENERGY: 1465400 3970.1265 20548.5258 14544.8103 239.6811 -203654.5663 2839.8905 0.0000 0.0000 51736.1234 -109775.4087 297.3282 -161511.5321 -109415.9894 298.3084 -109.9489 -86.1628 761549.0611 9.6206 9.5961 PRESSURE: 1465600 -765.292 218.887 -147.295 218.887 -239.348 -171.402 -147.295 -171.402 21.5166 GPRESSURE: 1465600 -740.414 180.738 -160.105 192.711 -177.831 -29.2562 -288.999 -178.928 38.2029 PRESSAVG: 1465600 -68.8146 -0.468789 -44.0448 -0.468714 43.7282 8.10166 -44.0449 8.10169 17.513 GPRESSAVG: 1465600 -68.6305 0.0144115 -43.8244 -1.2141 43.5577 7.70076 -44.1196 8.27338 17.4328 TIMING: 1465600 CPU: 4633.12, 0.00316354/step Wall: 4633.12, 0.00316354/step, 3.1059 hours remaining, 234.105469 MB of memory in use. ENERGY: 1465600 4090.8614 20357.6054 14527.3042 247.4260 -203027.4041 2333.4680 0.0000 0.0000 51973.2614 -109497.4778 298.6910 -161470.7392 -109127.9554 299.0927 -327.7078 -293.3475 762592.8113 -2.5245 -2.5467 PRESSURE: 1465800 446.299 -114.769 31.6888 -114.769 132.206 173.315 31.6881 173.315 -147.027 GPRESSURE: 1465800 437.638 -113.555 35.7268 -174.652 198.195 202.3 15.1752 75.7733 -148.139 PRESSAVG: 1465800 -67.6066 -17.0524 -6.84962 -17.0523 63.883 -0.664672 -6.84968 -0.664586 -3.27755 GPRESSAVG: 1465800 -67.9179 -18.6066 -6.05546 -16.3135 64.7235 2.8814 -8.35625 -1.79654 -4.48349 TIMING: 1465800 CPU: 4633.76, 0.00315731/step Wall: 4633.76, 0.00315731/step, 3.0996 hours remaining, 234.105469 MB of memory in use. ENERGY: 1465800 3987.4110 20505.5095 14534.5452 243.0928 -203728.5245 2806.4554 0.0000 0.0000 51851.7250 -109799.7856 297.9926 -161651.5106 -109446.2424 298.5937 143.8260 162.5645 761356.5928 -2.3337 -2.5593 PRESSURE: 1466000 -413.583 -71.0008 135.231 -71.0006 237.836 -98.86 135.231 -98.8601 -430.434 GPRESSURE: 1466000 -318.051 37.838 136.267 -205.26 189.646 -107.698 166.219 -119.664 -372.743 PRESSAVG: 1466000 -14.7305 2.42102 -28.2941 2.42106 67.5048 -44.9708 -28.2941 -44.9707 3.74529 GPRESSAVG: 1466000 -15.1141 3.78126 -28.3919 1.75896 67.7434 -45.7979 -27.5579 -46.794 3.95009 TIMING: 1466000 CPU: 4634.39, 0.00316369/step Wall: 4634.39, 0.00316369/step, 3.10569 hours remaining, 234.105469 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: 1466000 3989.1648 20537.6261 14559.1575 238.4336 -203488.9583 2514.9359 0.0000 0.0000 51705.6606 -109943.9799 297.1531 -161649.6404 -109581.8877 298.5528 -202.0605 -167.0495 761367.7437 18.8399 18.8598 PRESSURE: 1466200 267.13 143.543 -120.101 143.542 -648.349 32.088 -120.101 32.0886 63.5918 GPRESSURE: 1466200 289.371 183.506 8.09537 250.174 -538.04 -28.0654 -120.272 34.0007 38.272 PRESSAVG: 1466200 11.3714 28.8123 -17.7681 28.8123 -16.0065 22.2038 -17.7681 22.2038 -18.0167 GPRESSAVG: 1466200 12.411 29.5548 -17.9193 28.8698 -17.477 20.4567 -18.6901 23.8532 -17.5045 TIMING: 1466200 CPU: 4635.02, 0.00314876/step Wall: 4635.02, 0.00314876/step, 3.09086 hours remaining, 234.105469 MB of memory in use. ENERGY: 1466200 4038.4492 20619.1263 14478.4342 240.6222 -203798.7329 2710.1729 0.0000 0.0000 51895.0332 -109816.8949 298.2415 -161711.9281 -109451.0268 298.4324 -105.8755 -70.1325 759845.5809 -7.5506 -7.5235 PRESSURE: 1466400 242.671 -42.0722 31.8823 -42.0719 -63.5307 -174.719 31.8818 -174.718 -46.899 GPRESSURE: 1466400 326.104 -24.8866 44.8688 46.0579 -53.7149 -122.372 -10.1431 -174.918 -45.406 PRESSAVG: 1466400 28.6348 33.5913 44.6948 33.5914 -52.2988 -20.6751 44.6948 -20.6752 -7.45444 GPRESSAVG: 1466400 28.4299 30.3556 43.4365 36.2908 -51.42 -20.5859 46.7163 -19.2506 -7.95688 TIMING: 1466400 CPU: 4635.65, 0.00314166/step Wall: 4635.65, 0.00314166/step, 3.08372 hours remaining, 234.105469 MB of memory in use. ENERGY: 1466400 3931.1546 20650.1159 14488.2626 238.5852 -203781.6922 2802.3846 0.0000 0.0000 51741.3093 -109929.8800 297.3580 -161671.1893 -109571.2707 298.0809 44.0805 75.6610 760189.2792 -10.3728 -10.3156 PRESSURE: 1466600 -174.554 -66.5194 -173.232 -66.5198 -301.802 -46.6509 -173.231 -46.6502 -83.3462 GPRESSURE: 1466600 -180.141 16.9995 -139.196 -170.53 -283.732 -65.9482 -109.71 85.7038 -22.8759 PRESSAVG: 1466600 -7.56825 -45.0634 -16.8787 -45.0634 24.1194 -30.4506 -16.8787 -30.4506 5.30396 GPRESSAVG: 1466600 -8.32211 -43.2407 -14.5218 -47.7456 24.7457 -28.4532 -17.8332 -32.7764 5.21996 TIMING: 1466600 CPU: 4636.28, 0.00315718/step Wall: 4636.28, 0.00315718/step, 3.09878 hours remaining, 234.105469 MB of memory in use. ENERGY: 1466600 4019.7565 20570.4104 14569.5380 251.2429 -203800.1396 2494.4599 0.0000 0.0000 52042.3963 -109852.3356 299.0884 -161894.7319 -109480.4721 297.7756 -186.5672 -162.2498 759976.4823 7.2850 7.2145 PRESSURE: 1466800 -91.5134 -26.3492 46.9833 -26.3501 -76.1265 45.5176 46.983 45.5179 144.652 GPRESSURE: 1466800 -122.748 -120.02 -55.5017 -41.809 1.3114 -55.9388 92.3971 51.0237 190.69 PRESSAVG: 1466800 -1.02556 -74.2152 -34.5056 -74.2152 -25.7523 -27.1141 -34.5056 -27.1141 6.06631 GPRESSAVG: 1466800 -1.02562 -76.4714 -37.4367 -73.6536 -25.9952 -28.8092 -34.2756 -27.3385 6.36083 TIMING: 1466800 CPU: 4636.91, 0.00315857/step Wall: 4636.91, 0.00315857/step, 3.09996 hours remaining, 234.105469 MB of memory in use. ENERGY: 1466800 4022.8002 20541.5439 14481.2599 245.5643 -203745.8719 2840.8475 0.0000 0.0000 51733.9906 -109879.8655 297.3160 -161613.8561 -109517.5918 297.8007 -7.6627 23.0846 760748.7704 -6.9039 -6.8866 PRESSURE: 1467000 443.852 -197.441 -252.868 -197.441 177.253 -226.229 -252.867 -226.23 235.7 GPRESSURE: 1467000 488.529 -172.39 -178.494 -141.028 264.663 -168.129 -150.813 -15.5925 198.331 PRESSAVG: 1467000 18.3777 -46.2098 -34.6552 -46.2098 19.7483 -45.7647 -34.6551 -45.7647 10.6855 GPRESSAVG: 1467000 18.4101 -42.2825 -32.1986 -47.3788 18.4765 -45.6773 -35.6784 -42.9165 11.6811 TIMING: 1467000 CPU: 4637.54, 0.00315809/step Wall: 4637.54, 0.00315809/step, 3.09931 hours remaining, 234.105469 MB of memory in use. ENERGY: 1467000 3884.8701 20535.1490 14499.8905 235.0384 -203873.1698 2774.7616 0.0000 0.0000 51952.5459 -109990.9143 298.5720 -161943.4602 -109626.6227 298.2253 285.6013 317.1742 759711.2947 16.2705 16.1892 PRESSURE: 1467200 -302.277 216.51 -94.9596 216.509 31.7882 -1.41145 -94.959 -1.41116 -418.861 GPRESSURE: 1467200 -177.794 172.663 -89.9718 188.399 65.1586 -0.278918 -190.082 -221.55 -478.257 PRESSAVG: 1467200 3.89318 -3.91406 4.81382 -3.91412 -41.5919 10.0597 4.81377 10.0598 -24.6815 GPRESSAVG: 1467200 3.99148 -5.13067 5.04268 -1.61676 -41.5072 10.4903 5.65052 7.29257 -25.5061 TIMING: 1467200 CPU: 4638.18, 0.0031768/step Wall: 4638.18, 0.0031768/step, 3.1175 hours remaining, 234.105469 MB of memory in use. ENERGY: 1467200 3981.7227 20501.4535 14496.1700 233.5845 -203482.7613 2539.5688 0.0000 0.0000 51965.7857 -109764.4761 298.6481 -161730.2617 -109402.2826 298.3698 -229.7832 -196.9642 761750.4155 -20.7934 -21.0073 PRESSURE: 1467400 84.4397 -41.1725 -101.485 -41.1719 9.01768 -131.818 -101.485 -131.819 3.0114 GPRESSURE: 1467400 101.818 -159.744 -113.152 40.3028 90.8104 -46.679 -139.966 -101.307 -6.49185 PRESSAVG: 1467400 75.8707 -49.8327 -59.525 -49.8327 -31.8026 -45.006 -59.525 -45.006 -1.57244 GPRESSAVG: 1467400 77.1596 -50.9795 -60.1269 -51.4752 -31.8303 -46.1744 -61.8017 -43.8342 -3.14761 TIMING: 1467400 CPU: 4638.81, 0.00318435/step Wall: 4638.81, 0.00318435/step, 3.12473 hours remaining, 234.308594 MB of memory in use. ENERGY: 1467400 4024.1306 20467.4096 14576.4527 250.0556 -203494.1970 2746.3268 0.0000 0.0000 51657.5813 -109772.2405 296.8768 -161429.8218 -109412.3297 297.8396 32.1563 62.0456 762721.7959 14.1652 14.0605 PRESSURE: 1467600 -280.396 28.5363 172.341 28.5356 286.332 -235.198 172.342 -235.198 156.213 GPRESSURE: 1467600 -181.599 -23.2257 236.719 19.3349 272.446 -150.398 97.4848 -249.035 179.393 PRESSAVG: 1467600 -27.8249 -7.54646 -21.4763 -7.54647 -9.22089 -16.0946 -21.4762 -16.0946 9.44864 GPRESSAVG: 1467600 -28.9716 -5.01075 -22.0742 -8.31723 -9.42022 -14.2829 -19.9263 -16.8096 10.8316 TIMING: 1467600 CPU: 4639.45, 0.00316518/step Wall: 4639.45, 0.00316518/step, 3.10574 hours remaining, 234.308594 MB of memory in use. ENERGY: 1467600 3931.5762 20429.7378 14478.7237 240.9726 -203422.6031 2678.6148 0.0000 0.0000 51871.8046 -109791.1734 298.1080 -161662.9781 -109421.5971 298.2277 54.0500 90.0798 762125.7364 -9.1990 -9.1867 PRESSURE: 1467800 -232.01 39.5702 -189.156 39.5699 -106.091 -190.319 -189.155 -190.32 -92.6614 GPRESSURE: 1467800 -201.051 -72.7821 -141.799 -30.9372 7.42633 -285.193 -180.59 -89.3719 -159.705 PRESSAVG: 1467800 -10.0576 36.3158 4.66828 36.3158 1.63324 -11.5184 4.6682 -11.5185 14.0228 GPRESSAVG: 1467800 -10.3352 33.9007 5.8092 37.9381 1.92437 -13.609 3.39373 -10.9257 13.7978 TIMING: 1467800 CPU: 4640.08, 0.00318479/step Wall: 4640.08, 0.00318479/step, 3.12481 hours remaining, 234.308594 MB of memory in use. ENERGY: 1467800 4071.2699 20494.1235 14531.9700 249.7146 -203242.2929 2204.2372 0.0000 0.0000 51767.2159 -109923.7618 297.5069 -161690.9777 -109579.9097 298.1793 -143.5876 -117.7767 760868.0094 1.8661 1.7956 PRESSURE: 1468000 -104.785 71.3131 -55.3789 71.3133 47.1574 114.471 -55.3786 114.471 41.3353 GPRESSURE: 1468000 -34.0677 63.4967 29.4081 167.168 34.982 184.636 -37.0642 172.766 59.1099 PRESSAVG: 1468000 42.19 7.37248 -62.8713 7.37246 -72.1819 53.5248 -62.8713 53.5248 -8.32026 GPRESSAVG: 1468000 41.3448 7.57662 -64.8981 8.51062 -73.0599 51.9171 -60.8168 55.0155 -6.64245 TIMING: 1468000 CPU: 4640.72, 0.00317376/step Wall: 4640.72, 0.00317376/step, 3.11381 hours remaining, 234.308594 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: 1468000 4002.3092 20540.3742 14557.5829 237.0136 -203655.6687 2883.3872 0.0000 0.0000 51660.3007 -109774.7010 296.8925 -161435.0017 -109435.2493 298.2949 -5.4309 20.0081 761850.5326 -12.7707 -12.7858 PRESSURE: 1468200 -28.9285 -94.8862 195.008 -94.8856 142.535 4.56335 195.008 4.56317 311.625 GPRESSURE: 1468200 11.79 -83.8924 149.906 -33.4452 155.186 1.33012 59.6695 28.383 359.333 PRESSAVG: 1468200 29.9255 0.689154 -38.0936 0.689187 -15.1787 28.741 -38.0936 28.7411 14.3391 GPRESSAVG: 1468200 30.5379 0.731093 -37.4965 0.209198 -13.8002 29.2755 -39.4987 26.3455 12.5929 TIMING: 1468200 CPU: 4641.35, 0.0031695/step Wall: 4641.35, 0.0031695/step, 3.10945 hours remaining, 234.296875 MB of memory in use. ENERGY: 1468200 3973.9553 20411.8080 14507.5241 241.6771 -204144.7069 3109.2107 0.0000 0.0000 52102.8334 -109797.6982 299.4357 -161900.5317 -109438.1880 298.1233 141.7436 175.4362 760915.9983 9.6953 9.7769 LDB: ============= START OF LOAD BALANCING ============== 4653.89 LDB: ============== END OF LOAD BALANCING =============== 4653.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4653.89 LDB: ============= START OF LOAD BALANCING ============== 4654.2 LDB: Largest compute 7042 load 0.032173 is 16.5% of average load 0.195385 LDB: Average compute 0.004384 is 2.2% of average load 0.195385 LDB: TIME 4654.21 LOAD: AVG 0.195385 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.637 MB LDB: TIME 4654.21 LOAD: AVG 0.195385 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: TIME 4654.21 LOAD: AVG 0.195385 MAX 0.215842 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.637 MB LDB: ============== END OF LOAD BALANCING =============== 4654.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4654.21 PRESSURE: 1468400 65.5216 161.503 -291.67 161.504 -62.3557 204.862 -291.669 204.861 -67.6071 GPRESSURE: 1468400 54.7446 73.1224 -277.148 64.3227 -48.9877 301.553 -236.51 153.123 9.96348 PRESSAVG: 1468400 -18.0401 -44.6022 -6.36171 -44.6021 14.9681 24.8767 -6.36174 24.8766 -8.3161 GPRESSAVG: 1468400 -19.1987 -44.1357 -7.21404 -46.1358 15.0743 27.0177 -6.02547 25.6099 -7.19671 TIMING: 1468400 CPU: 4642, 0.00322577/step Wall: 4642, 0.00322577/step, 3.16448 hours remaining, 233.945312 MB of memory in use. ENERGY: 1468400 4024.0928 20470.6711 14582.0252 245.6995 -203597.6277 2603.6973 0.0000 0.0000 51675.9381 -109995.5036 296.9823 -161671.4417 -109632.0476 297.9064 -21.4804 5.2401 761004.2055 -3.7960 -3.7737 PRESSURE: 1468600 44.7389 59.6569 -273.832 59.6576 -221.554 40.1097 -273.832 40.1105 -173.46 GPRESSURE: 1468600 118.054 -40.2249 -201.254 83.0186 -161.961 6.6785 -438.902 57.0962 -216.96 PRESSAVG: 1468600 0.200319 15.9523 -21.1988 15.9524 40.6996 17.1598 -21.1988 17.1599 -9.95805 GPRESSAVG: 1468600 0.703584 16.2596 -19.4891 15.7565 40.1276 15.8162 -20.6618 17.636 -9.59617 TIMING: 1468600 CPU: 4642.63, 0.00315751/step Wall: 4642.63, 0.00315751/step, 3.09734 hours remaining, 233.945312 MB of memory in use. ENERGY: 1468600 3972.3922 20410.4802 14559.6145 236.1047 -203702.5572 2458.1354 0.0000 0.0000 52213.5165 -109852.3137 300.0718 -162065.8301 -109477.6394 298.4843 -116.7582 -86.9557 760777.8171 10.3140 10.4117 PRESSURE: 1468800 -248.074 -43.1499 -76.9494 -43.1497 -146.759 -261.08 -76.9493 -261.079 -327.647 GPRESSURE: 1468800 -224.306 -126.875 -144.516 -32.6559 -179.811 -245.437 -23.7177 -126.616 -207.844 PRESSAVG: 1468800 35.8008 4.99705 12.7268 4.99703 -58.667 16.5666 12.7268 16.5666 29.8589 GPRESSAVG: 1468800 36.4618 5.17249 11.5059 4.39739 -58.2493 15.6756 12.8306 14.8215 29.0832 TIMING: 1468800 CPU: 4643.26, 0.00314167/step Wall: 4643.26, 0.00314167/step, 3.08163 hours remaining, 233.945312 MB of memory in use. ENERGY: 1468800 4059.5602 20430.3204 14556.9210 259.4123 -203383.1357 2379.3746 0.0000 0.0000 51734.2969 -109963.2503 297.3177 -161697.5472 -109606.8132 298.2903 -240.8263 -203.9871 760923.5304 2.3309 2.4319 PRESSURE: 1469000 -135.016 -61.0303 343.817 -61.0291 -151.598 233.633 343.818 233.633 -138.974 GPRESSURE: 1469000 -80.5856 13.133 453.293 -11.6631 -144.845 265.934 323.082 224.31 -119.862 PRESSAVG: 1469000 59.3244 -1.63522 -46.0768 -1.6352 -26.2029 -14.6708 -46.0767 -14.6708 7.94437 GPRESSAVG: 1469000 59.7588 -3.07724 -45.0945 -0.711569 -26.5923 -13.9949 -46.0571 -14.179 7.53533 TIMING: 1469000 CPU: 4643.89, 0.00315364/step Wall: 4643.89, 0.00315364/step, 3.0932 hours remaining, 233.945312 MB of memory in use. ENERGY: 1469000 3967.1996 20451.0304 14535.9455 236.4516 -203485.9294 2615.7853 0.0000 0.0000 51676.4448 -110003.0722 296.9852 -161679.5170 -109639.4120 298.1637 -141.8624 -115.0975 761288.4153 13.6886 13.5673 PRESSURE: 1469200 52.8131 -30.579 -148.885 -30.5782 -275.692 61.28 -148.885 61.2791 -159.186 GPRESSURE: 1469200 73.7352 54.6342 -56.549 35.5657 -230.936 92.5468 -72.207 98.0231 -135.54 PRESSAVG: 1469200 -3.58402 -7.30949 -33.6007 -7.30953 -2.73875 87.2323 -33.6007 87.2323 -6.66682 GPRESSAVG: 1469200 -3.23933 -6.21595 -33.4282 -6.46281 -3.14035 87.4636 -34.8078 88.226 -6.12408 TIMING: 1469200 CPU: 4644.52, 0.00317035/step Wall: 4644.52, 0.00317035/step, 3.10941 hours remaining, 233.945312 MB of memory in use. ENERGY: 1469200 3989.9388 20434.7941 14553.6227 259.7056 -204050.3480 2996.4569 0.0000 0.0000 51642.6960 -110173.1340 296.7913 -161815.8299 -109817.3237 297.6081 -127.3549 -97.5804 760028.0024 -4.3299 -4.1679 PRESSURE: 1469400 -437.975 44.295 -50.9881 44.2955 78.5324 -99.4722 -50.9889 -99.4713 74.0568 GPRESSURE: 1469400 -309.618 -65.297 -45.4789 112.194 53.4908 -162.498 -123.789 -58.9662 54.226 PRESSAVG: 1469400 27.8397 -26.8797 -69.1251 -26.8798 -0.169103 -19.0983 -69.1252 -19.0982 9.33793 GPRESSAVG: 1469400 27.2529 -25.7736 -69.7542 -27.8849 -0.0853639 -19.8795 -68.7067 -21.0518 9.52802 TIMING: 1469400 CPU: 4645.16, 0.00316928/step Wall: 4645.16, 0.00316928/step, 3.10819 hours remaining, 233.945312 MB of memory in use. ENERGY: 1469400 3919.6692 20430.6006 14508.6605 232.4638 -203883.4384 2918.2413 0.0000 0.0000 51625.9678 -110247.8352 296.6951 -161873.8030 -109888.0811 297.2526 -95.1284 -67.3004 761788.6187 12.3362 12.2318 PRESSURE: 1469600 72.9045 54.1269 -41.4572 54.1276 67.4057 -41.4261 -41.4565 -41.4264 61.8393 GPRESSURE: 1469600 186.458 31.8647 -54.9343 -66.4468 105.882 -15.6719 -10.8595 -22.7694 -3.83936 PRESSAVG: 1469600 37.7732 -32.5918 -9.8121 -32.5918 -25.3993 -2.54744 -9.8121 -2.54746 -10.6771 GPRESSAVG: 1469600 38.5166 -33.7075 -10.9038 -33.0932 -25.6556 -2.06131 -7.22814 -3.50644 -11.1618 TIMING: 1469600 CPU: 4645.78, 0.00313855/step Wall: 4645.78, 0.00313855/step, 3.07787 hours remaining, 233.945312 MB of memory in use. ENERGY: 1469600 3881.1163 20356.9812 14572.9858 226.0645 -203759.6198 2789.7259 0.0000 0.0000 51872.0223 -110060.7236 298.1092 -161932.7460 -109688.9569 297.4711 67.3832 96.1667 761040.7908 0.5656 0.5664 PRESSURE: 1469800 11.2673 -241.532 -168.912 -241.532 -124.717 53.8808 -168.913 53.88 169.938 GPRESSURE: 1469800 21.0808 -220.854 -126.072 -145.745 -87.0349 -42.5465 -247.938 -17.4808 195.131 PRESSAVG: 1469800 15.2769 -0.0251555 -62.8185 -0.0251735 -31.0615 -59.294 -62.8185 -59.2939 1.29685 GPRESSAVG: 1469800 13.6916 -0.00553954 -61.3735 2.52884 -30.6689 -58.636 -64.7307 -59.0337 2.14331 TIMING: 1469800 CPU: 4646.42, 0.00316007/step Wall: 4646.42, 0.00316007/step, 3.0988 hours remaining, 233.945312 MB of memory in use. ENERGY: 1469800 3976.7783 20348.3750 14459.2726 263.2627 -203469.5912 2644.9512 0.0000 0.0000 51834.4086 -109942.5428 297.8931 -161776.9514 -109572.0135 297.5387 18.8297 43.0590 763454.7727 -4.8293 -4.9447 PRESSURE: 1470000 -94.6897 -76.8287 -96.7804 -76.8287 -80.4971 -63.0715 -96.78 -63.0712 -136.411 GPRESSURE: 1470000 -74.7639 44.5157 -147.948 -123.823 3.26521 -84.9617 -40.225 50.6736 -142.838 PRESSAVG: 1470000 35.1507 -23.1323 -50.0348 -23.1323 -57.1264 30.93 -50.0347 30.93 15.6079 GPRESSAVG: 1470000 36.7395 -23.6805 -51.3225 -25.4234 -57.0123 30.315 -48.4414 33.4432 14.0188 TIMING: 1470000 CPU: 4647.05, 0.0031542/step Wall: 4647.05, 0.0031542/step, 3.09287 hours remaining, 233.945312 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: 1470000 3976.8263 20384.6399 14471.2360 258.0936 -203720.6703 2606.8401 0.0000 0.0000 51958.6532 -110064.3812 298.6071 -162023.0344 -109700.5983 297.7101 -103.8659 -71.4454 761628.0315 -2.1226 -2.0846 PRESSURE: 1470200 -9.8435 76.5935 -273.281 76.593 -94.5749 149.61 -273.28 149.609 -112.146 GPRESSURE: 1470200 36.0429 -10.8116 -213.662 82.7228 -68.4392 57.7547 -107.719 124.871 -87.6856 PRESSAVG: 1470200 1.70861 -12.6428 -0.99098 -12.6427 -39.9765 48.2531 -0.990939 48.253 5.28171 GPRESSAVG: 1470200 1.63921 -11.9319 -1.33508 -11.325 -40.4609 46.3131 -1.97139 49.0698 6.15287 TIMING: 1470200 CPU: 4647.68, 0.00317547/step Wall: 4647.68, 0.00317547/step, 3.11355 hours remaining, 233.945312 MB of memory in use. ENERGY: 1470200 3951.2421 20314.1404 14532.3742 242.8023 -203707.0637 2811.1021 0.0000 0.0000 51776.4809 -110078.9218 297.5601 -161855.4027 -109721.9619 297.6356 -72.1883 -40.0273 761708.7651 -10.9954 -10.8896 PRESSURE: 1470400 -56.9336 -72.8776 -79.8485 -72.8786 -292.49 -183.359 -79.8487 -183.358 -152.322 GPRESSURE: 1470400 -91.6186 -125.391 -181.026 -49.1058 -193.286 -86.6618 -105.77 -97.6124 -142.261 PRESSAVG: 1470400 -36.4841 43.3376 -19.7168 43.3376 10.2202 38.7643 -19.7168 38.7643 -1.05581 GPRESSAVG: 1470400 -36.8721 41.6188 -20.7237 43.4373 10.7341 40.9573 -18.5662 37.5381 -1.3569 TIMING: 1470400 CPU: 4648.31, 0.00315162/step Wall: 4648.31, 0.00315162/step, 3.08999 hours remaining, 233.945312 MB of memory in use. ENERGY: 1470400 3930.7973 20333.2858 14582.7358 241.0260 -203878.6198 2750.4745 0.0000 0.0000 51854.6362 -110185.6642 298.0093 -162040.3004 -109820.9250 297.6418 -167.2488 -142.3884 761984.3956 -9.1066 -9.1650 PRESSURE: 1470600 128.359 -218.273 -99.2579 -218.273 66.2644 259.942 -99.2584 259.941 -97.116 GPRESSURE: 1470600 99.5692 -184.1 -97.0778 -132.409 245.673 288.388 -182.068 165.943 -152.47 PRESSAVG: 1470600 -10.357 -21.6701 -53.6103 -21.6701 5.37033 26.6575 -53.6103 26.6575 19.0138 GPRESSAVG: 1470600 -10.5588 -20.5877 -52.3716 -21.1657 6.20921 24.537 -55.133 27.335 18.8226 TIMING: 1470600 CPU: 4648.95, 0.00318367/step Wall: 4648.95, 0.00318367/step, 3.12124 hours remaining, 233.945312 MB of memory in use. ENERGY: 1470600 3940.4690 20419.6308 14553.5556 267.1690 -203773.0528 2761.9527 0.0000 0.0000 51537.1044 -110293.1714 296.1844 -161830.2758 -109933.1610 297.0492 32.5024 64.2575 760625.1253 4.6757 4.8243 PRESSURE: 1470800 -122.013 -23.327 39.6446 -23.3274 50.6887 51.5187 39.6443 51.52 -290.997 GPRESSURE: 1470800 8.62259 -28.9027 7.55246 -102.304 8.96489 27.2414 86.7364 28.1155 -303.755 PRESSAVG: 1470800 12.3818 -1.13822 -30.7389 -1.13829 16.3599 45.5313 -30.7389 45.5313 -2.33808 GPRESSAVG: 1470800 12.7945 -1.50776 -29.8286 -0.889382 15.7305 46.6605 -29.3899 45.7807 -2.23165 TIMING: 1470800 CPU: 4649.59, 0.00318439/step Wall: 4649.59, 0.00318439/step, 3.12177 hours remaining, 233.945312 MB of memory in use. ENERGY: 1470800 4004.7448 20440.8397 14470.3324 258.0694 -203969.6632 2709.9149 0.0000 0.0000 52045.7994 -110039.9627 299.1079 -162085.7620 -109677.2437 297.3740 -120.7738 -95.3892 761057.5317 8.8012 8.7644 PRESSURE: 1471000 -249.929 -54.3631 -143.979 -54.363 -313.053 382.795 -143.979 382.795 67.4502 GPRESSURE: 1471000 -186.572 -46.2206 -81.6254 95.2218 -258.092 392.156 -105.215 297.381 37.6879 PRESSAVG: 1471000 -19.3335 -27.8932 6.65431 -27.8932 27.0592 1.41437 6.65429 1.41436 9.20965 GPRESSAVG: 1471000 -18.1732 -27.0351 6.80315 -29.8196 26.3439 2.71042 5.28545 0.719723 9.0921 TIMING: 1471000 CPU: 4650.22, 0.00315288/step Wall: 4650.22, 0.00315288/step, 3.0907 hours remaining, 233.945312 MB of memory in use. ENERGY: 1471000 3996.9351 20377.4052 14520.9937 228.0286 -203582.1015 2504.1470 0.0000 0.0000 51894.0893 -110060.5025 298.2360 -161954.5918 -109710.2954 297.4829 -165.1771 -135.6588 761518.6282 5.6451 5.7543 PRESSURE: 1471200 197.188 -85.7886 -257.851 -85.7888 214.368 212.796 -257.851 212.797 -125.486 GPRESSURE: 1471200 119.674 -76.664 -198.077 18.7337 290.536 283.591 -284.946 314.353 -58.5586 PRESSAVG: 1471200 4.37654 2.54292 2.54808 2.54286 23.2462 -24.7431 2.54817 -24.743 -1.63954 GPRESSAVG: 1471200 2.62756 3.11868 2.40457 3.06328 24.257 -26.567 2.7974 -24.1041 -1.05568 TIMING: 1471200 CPU: 4650.85, 0.00315321/step Wall: 4650.85, 0.00315321/step, 3.09085 hours remaining, 233.945312 MB of memory in use. ENERGY: 1471200 3952.8638 20238.2083 14510.7767 251.0589 -203635.2188 2774.2237 0.0000 0.0000 51750.8567 -110157.2307 297.4129 -161908.0874 -109798.6918 297.2981 95.3570 117.2171 761709.6578 8.6611 8.6096 PRESSURE: 1471400 12.0673 -166.075 -29.099 -166.076 -44.5808 274.301 -29.0985 274.301 85.8653 GPRESSURE: 1471400 -21.2841 -105.624 -168.11 -195.817 142.166 265.252 1.24175 154.27 23.9693 PRESSAVG: 1471400 43.2605 -24.1171 -10.0478 -24.1171 -7.43969 48.0617 -10.0477 48.0617 -18.7528 GPRESSAVG: 1471400 43.8912 -24.4533 -11.913 -24.2513 -7.07342 48.3509 -11.0028 47.2929 -20.0793 TIMING: 1471400 CPU: 4651.48, 0.00317572/step Wall: 4651.48, 0.00317572/step, 3.11274 hours remaining, 233.945312 MB of memory in use. ENERGY: 1471400 3949.6590 20210.5051 14440.8172 259.3495 -203536.7895 2704.1759 0.0000 0.0000 51805.7377 -110166.5450 297.7283 -161972.2827 -109816.5351 297.1092 17.7839 48.2836 761167.2522 5.6893 5.5795 PRESSURE: 1471600 -33.2117 130.945 -17.2897 130.945 -30.9831 -99.3067 -17.2896 -99.3065 -183.048 GPRESSURE: 1471600 -35.1693 71.8679 -109.41 164.736 -47.8382 -136.787 -40.379 47.1906 -88.0976 PRESSAVG: 1471600 47.387 29.3979 19.5546 29.3979 -32.0486 0.739082 19.5547 0.739127 -9.87513 GPRESSAVG: 1471600 47.2106 28.8349 21.2196 29.9971 -32.7956 1.36859 18.4102 1.95968 -9.13209 TIMING: 1471600 CPU: 4652.12, 0.00317282/step Wall: 4652.12, 0.00317282/step, 3.10972 hours remaining, 233.945312 MB of memory in use. ENERGY: 1471600 4003.1873 20363.6111 14546.4992 248.2544 -203025.2058 2240.5673 0.0000 0.0000 51654.4250 -109968.6615 296.8587 -161623.0865 -109618.4509 297.1751 -82.4143 -57.0350 762275.8170 1.8211 1.7610 PRESSURE: 1471800 -94.8536 109.792 77.1116 109.792 -102.805 -7.49394 77.1114 -7.49447 -267.524 GPRESSURE: 1471800 -51.041 114.207 65.3526 88.3941 -78.1747 23.5135 185.583 -24.4764 -223.573 PRESSAVG: 1471800 49.1718 -31.0127 61.3285 -31.0127 -56.9885 -38.8757 61.3286 -38.8757 3.38163 GPRESSAVG: 1471800 49.706 -32.4271 59.7569 -30.8326 -56.6337 -39.6991 63.7029 -36.4702 2.95892 TIMING: 1471800 CPU: 4652.75, 0.00315771/step Wall: 4652.75, 0.00315771/step, 3.09473 hours remaining, 233.945312 MB of memory in use. ENERGY: 1471800 3980.7045 20263.7800 14532.4619 222.9594 -203466.5777 2810.7285 0.0000 0.0000 51910.4826 -109745.4609 298.3303 -161655.9435 -109399.3920 297.7792 -155.0610 -117.5961 762251.0164 -1.4784 -1.3229 PRESSURE: 1472000 280.988 -93.9962 -122.398 -93.9962 164.89 50.4057 -122.398 50.4054 308.697 GPRESSURE: 1472000 367.437 -136.678 -23.7817 -106.653 179.211 64.4526 -122.199 3.78651 292.3 PRESSAVG: 1472000 3.87051 -21.9186 -0.513251 -21.9186 7.83672 0.00653689 -0.513243 0.00649348 -2.28486 GPRESSAVG: 1472000 4.39375 -21.1065 0.756166 -22.6455 7.66356 0.321491 -1.41702 -3.52239 -2.11364 TIMING: 1472000 CPU: 4653.38, 0.00314973/step Wall: 4653.38, 0.00314973/step, 3.08674 hours remaining, 233.945312 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: 1472000 3874.1706 20269.1532 14566.3775 260.3591 -203991.7800 3208.9763 0.0000 0.0000 51902.4278 -109910.3155 298.2840 -161812.7433 -109548.5530 297.6463 251.5249 279.6493 761405.9315 3.1408 3.3146 PRESSURE: 1472200 -225.818 97.8336 27.7965 97.8327 -229.202 67.0475 27.7966 67.0463 -202.743 GPRESSURE: 1472200 -195.892 117.437 6.99279 76.9321 -220.499 23.6448 -65.5459 -6.0745 -165.412 PRESSAVG: 1472200 5.39503 -43.0649 -4.63146 -43.065 5.19061 -5.9913 -4.63143 -5.99125 -17.4026 GPRESSAVG: 1472200 4.52462 -42.8137 -5.1414 -42.2183 5.39998 -5.59082 -4.84166 -6.65037 -17.4709 TIMING: 1472200 CPU: 4654.01, 0.00314614/step Wall: 4654.01, 0.00314614/step, 3.08305 hours remaining, 233.945312 MB of memory in use. ENERGY: 1472200 3951.7353 20310.9908 14537.3414 245.4050 -203600.6083 2691.1027 0.0000 0.0000 51729.5832 -110134.4500 297.2906 -161864.0332 -109776.2155 297.5071 -219.2545 -193.9343 762808.9812 -2.2723 -2.5154 LDB: ============= START OF LOAD BALANCING ============== 4666.54 LDB: ============== END OF LOAD BALANCING =============== 4666.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4666.54 LDB: ============= START OF LOAD BALANCING ============== 4666.86 LDB: Largest compute 7042 load 0.031030 is 15.9% of average load 0.195297 LDB: Average compute 0.004409 is 2.3% of average load 0.195297 LDB: TIME 4666.86 LOAD: AVG 0.195297 MAX 0.22009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.266 MB LDB: TIME 4666.86 LOAD: AVG 0.195297 MAX 0.22009 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: TIME 4666.86 LOAD: AVG 0.195297 MAX 0.217349 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.336 MB LDB: ============== END OF LOAD BALANCING =============== 4666.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4666.87 PRESSURE: 1472400 -430.15 -77.7512 -116.163 -77.7521 -117.611 -118.492 -116.163 -118.491 -660.73 GPRESSURE: 1472400 -420.037 -142.698 -82.4072 -145.313 -94.4483 -37.0764 -91.2078 -57.7534 -633.819 PRESSAVG: 1472400 -52.6463 -47.951 -27.3054 -47.951 17.5841 0.146963 -27.3054 0.146934 17.3397 GPRESSAVG: 1472400 -53.4807 -48.9193 -26.2624 -47.7961 18.2258 1.03597 -26.064 3.08396 17.8847 TIMING: 1472400 CPU: 4654.65, 0.00323059/step Wall: 4654.65, 0.00323059/step, 3.16562 hours remaining, 233.378906 MB of memory in use. ENERGY: 1472400 4012.3897 20386.6953 14493.1667 224.8937 -203219.6313 2407.7108 0.0000 0.0000 51784.2779 -109910.4972 297.6050 -161694.7751 -109544.6361 297.8908 -402.8305 -382.7681 762880.8993 -5.9075 -5.7901 PRESSURE: 1472600 5.37868 -209.379 -210.585 -209.379 382.812 221.965 -210.584 221.965 130.697 GPRESSURE: 1472600 108.049 -218.99 -195.719 -96.7309 396.998 198.068 -166.277 228.048 97.7673 PRESSAVG: 1472600 -46.3738 -35.0303 -71.9022 -35.0303 100.729 -34.1343 -71.9023 -34.1344 -5.6467 GPRESSAVG: 1472600 -44.762 -33.0668 -72.641 -34.259 100.276 -36.4895 -71.3904 -35.2129 -6.445 TIMING: 1472600 CPU: 4655.29, 0.0031617/step Wall: 4655.29, 0.0031617/step, 3.09794 hours remaining, 233.378906 MB of memory in use. ENERGY: 1472600 3920.8853 20419.7483 14568.2980 231.6668 -204067.4281 3067.7877 0.0000 0.0000 51917.1961 -109941.8459 298.3688 -161859.0419 -109583.1075 297.8068 172.9625 200.9380 760037.2047 16.2361 16.3562 PRESSURE: 1472800 72.1998 89.7935 -136.996 89.7938 466.889 99.1581 -136.995 99.1598 10.0258 GPRESSURE: 1472800 172.444 12.4047 -125.353 -77.7258 323.795 96.4238 -74.7495 90.5167 143.96 PRESSAVG: 1472800 16.5356 -32.2668 -27.8171 -32.2668 3.43064 -75.1246 -27.8171 -75.1245 6.7668 GPRESSAVG: 1472800 16.2565 -33.2806 -28.789 -33.9171 3.11241 -75.3603 -26.241 -76.0448 7.75838 TIMING: 1472800 CPU: 4655.91, 0.00314141/step Wall: 4655.91, 0.00314141/step, 3.07789 hours remaining, 233.378906 MB of memory in use. ENERGY: 1472800 3973.9429 20415.9040 14518.9602 253.4610 -203775.4257 3010.8695 0.0000 0.0000 51976.1718 -109626.1163 298.7078 -161602.2881 -109268.3792 298.1242 183.0381 213.3996 760810.9302 8.9110 9.0424 PRESSURE: 1473000 -532.183 -87.8983 -8.56292 -87.8989 -456.759 123.2 -8.56301 123.201 -255.021 GPRESSURE: 1473000 -524.498 -118.162 -73.445 -37.4496 -343.094 55.8203 -62.3732 151.417 -292.478 PRESSAVG: 1473000 -34.5426 -80.1173 -58.978 -80.1173 39.419 20.5967 -58.9781 20.5966 -7.24081 GPRESSAVG: 1473000 -35.5485 -80.7444 -58.4488 -79.2948 40.52 23.421 -60.1529 21.0599 -7.59173 TIMING: 1473000 CPU: 4656.55, 0.00316217/step Wall: 4656.55, 0.00316217/step, 3.09805 hours remaining, 233.378906 MB of memory in use. ENERGY: 1473000 3966.2729 20406.1228 14487.0803 224.3526 -203371.3693 2629.7404 0.0000 0.0000 51734.2231 -109923.5771 297.3173 -161657.8003 -109560.9254 298.1559 -414.6544 -386.6898 763763.7786 -0.7881 -0.8734 PRESSURE: 1473200 142.731 60.0435 204.515 60.044 75.2299 -64.1854 204.516 -64.1849 219.069 GPRESSURE: 1473200 196.301 -11.5732 211.875 62.694 44.1648 24.7092 141.753 -97.0591 263.407 PRESSAVG: 1473200 -42.2674 -52.7584 57.261 -52.7585 36.742 12.1085 57.261 12.1085 10.1834 GPRESSAVG: 1473200 -41.5065 -52.0955 57.0482 -52.2533 36.3769 11.8391 57.8154 10.905 9.59986 TIMING: 1473200 CPU: 4657.18, 0.0031518/step Wall: 4657.18, 0.0031518/step, 3.08771 hours remaining, 233.378906 MB of memory in use. ENERGY: 1473200 3986.9073 20385.0068 14496.0790 254.1338 -203602.3533 2641.3974 0.0000 0.0000 51844.2916 -109994.5373 297.9499 -161838.8289 -109634.4456 297.4028 145.6765 167.9577 762482.7093 1.5527 1.4901 PRESSURE: 1473400 -48.8946 15.8645 149.094 15.8629 -120.793 -140.847 149.094 -140.847 139.839 GPRESSURE: 1473400 -23.5514 -4.87057 186.972 -110.99 -30.8829 -79.7654 30.8547 -102.93 105.697 PRESSAVG: 1473400 -14.7211 -88.6364 -15.943 -88.6364 -2.79676 62.9251 -15.9429 62.925 -6.24723 GPRESSAVG: 1473400 -16.3467 -89.5276 -16.0425 -89.8367 -1.8308 62.0288 -17.2886 63.9223 -6.09752 TIMING: 1473400 CPU: 4657.81, 0.00316312/step Wall: 4657.81, 0.00316312/step, 3.09863 hours remaining, 233.378906 MB of memory in use. ENERGY: 1473400 4002.4210 20473.1555 14430.2634 239.3979 -203494.0110 2748.9644 0.0000 0.0000 51517.7464 -110082.0625 296.0732 -161599.8089 -109734.4783 297.2714 -9.9493 17.0876 761829.2089 -7.9217 -8.0917 PRESSURE: 1473600 283.025 -207.411 16.4481 -207.411 319.207 264.211 16.4479 264.211 166.671 GPRESSURE: 1473600 355.614 -171.526 53.5011 -225.765 308.187 258.672 127.721 147.059 192.965 PRESSAVG: 1473600 -0.891801 -56.3937 1.021 -56.3937 -12.401 85.818 1.02101 85.818 -0.608056 GPRESSAVG: 1473600 -0.068492 -55.4542 1.01 -54.6387 -13.804 85.3509 2.04748 85.5632 0.0712078 TIMING: 1473600 CPU: 4658.44, 0.00315571/step Wall: 4658.44, 0.00315571/step, 3.09119 hours remaining, 233.378906 MB of memory in use. ENERGY: 1473600 3953.0624 20438.2845 14481.7995 238.5021 -203785.8934 2824.3505 0.0000 0.0000 51864.0012 -109985.8932 298.0631 -161849.8944 -109622.2016 297.7920 256.3011 285.5886 760865.8766 -4.6336 -4.6004 PRESSURE: 1473800 -202.261 -70.3525 -185.943 -70.3523 -294.041 51.4704 -185.944 51.4693 -434.913 GPRESSURE: 1473800 -154.525 -177.508 -170.382 -34.0204 -329.143 4.56934 -248.786 70.7436 -369.389 PRESSAVG: 1473800 -0.957768 -61.3736 36.8044 -61.3736 -7.08943 50.1971 36.8044 50.1972 -5.72369 GPRESSAVG: 1473800 -1.27287 -61.9165 37.7435 -62.818 -7.24143 51.2261 36.412 47.3776 -5.4083 TIMING: 1473800 CPU: 4659.07, 0.00315422/step Wall: 4659.07, 0.00315422/step, 3.08956 hours remaining, 233.378906 MB of memory in use. ENERGY: 1473800 3991.6743 20252.4291 14534.3673 239.2458 -203299.3033 2467.4945 0.0000 0.0000 51717.2755 -110096.8168 297.2199 -161814.0923 -109732.1158 298.1902 -310.4051 -284.3524 762483.1410 -4.5903 -4.6409 PRESSURE: 1474000 -140.562 -67.478 154.23 -67.4777 -179.391 117.011 154.229 117.01 -61.1926 GPRESSURE: 1474000 -69.9585 50.8349 91.9105 -27.4085 -156.477 42.5465 160.188 78.995 -62.5958 PRESSAVG: 1474000 -46.244 -27.4384 5.58592 -27.4384 8.33664 52.4783 5.58589 52.4783 -3.02377 GPRESSAVG: 1474000 -45.095 -28.0422 6.45547 -26.3246 9.3542 52.03 4.25561 52.8136 -4.96773 TIMING: 1474000 CPU: 4659.7, 0.00314848/step Wall: 4659.7, 0.00314848/step, 3.08376 hours remaining, 233.378906 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: 1474000 4024.3448 20342.9829 14464.9026 253.6167 -203628.1448 2659.5396 0.0000 0.0000 51761.3663 -110121.3919 297.4733 -161882.7582 -109757.6300 297.7665 -127.0483 -96.3437 761594.3071 -13.6437 -13.5695 PRESSURE: 1474200 253.811 -108.417 -44.6775 -108.417 460.03 -194.011 -44.678 -194.01 28.0118 GPRESSURE: 1474200 314.38 -150.252 15.3162 -32.9187 409.848 -182.496 -31.8498 -42.1208 102.399 PRESSAVG: 1474200 3.86416 -23.5299 10.9926 -23.5299 -4.32665 33.5708 10.9926 33.5708 9.31776 GPRESSAVG: 1474200 5.10099 -22.9472 10.6971 -25.2761 -6.22945 34.5528 12.927 36.5243 9.62006 TIMING: 1474200 CPU: 4660.33, 0.00314464/step Wall: 4660.33, 0.00314464/step, 3.07982 hours remaining, 233.378906 MB of memory in use. ENERGY: 1474200 3987.3106 20301.3168 14539.2630 250.4827 -204211.8572 3077.0177 0.0000 0.0000 52238.4713 -109817.9950 300.2152 -162056.4663 -109452.7462 298.1723 247.2845 275.5424 761356.7567 2.9518 2.8305 PRESSURE: 1474400 -97.6274 -32.4825 -262.377 -32.4829 -242.396 135.139 -262.376 135.139 -446.854 GPRESSURE: 1474400 29.2276 -82.0164 -265.569 31.5425 -279.325 104.898 -245.046 71.7695 -434.1 PRESSAVG: 1474400 8.28479 -50.4691 -29.3806 -50.4691 33.8021 34.7072 -29.3806 34.7072 -2.0935 GPRESSAVG: 1474400 6.46863 -51.9375 -30.1764 -47.8726 35.4021 34.3407 -29.3674 33.4134 -1.06312 TIMING: 1474400 CPU: 4660.96, 0.00314271/step Wall: 4660.96, 0.00314271/step, 3.07776 hours remaining, 233.378906 MB of memory in use. ENERGY: 1474400 3940.5037 20317.7183 14558.4768 242.0219 -203345.5644 2473.0603 0.0000 0.0000 52118.1222 -109695.6611 299.5236 -161813.7833 -109328.3174 298.2418 -262.2922 -228.0657 764709.2002 13.3311 13.6025 PRESSURE: 1474600 -52.0483 -64.1833 -63.1542 -64.1829 -257.568 14.5892 -63.1549 14.5892 184.548 GPRESSURE: 1474600 44.5358 -22.7522 -47.6321 -20.5698 -179.165 -87.3488 -44.5288 163.505 92.2114 PRESSAVG: 1474600 -18.753 -40.2817 -27.806 -40.2817 9.79572 26.5209 -27.806 26.5209 -0.0170931 GPRESSAVG: 1474600 -17.2838 -40.6461 -27.1726 -42.356 9.23577 24.9382 -28.8581 27.002 -1.51509 TIMING: 1474600 CPU: 4661.59, 0.00315204/step Wall: 4661.59, 0.00315204/step, 3.08673 hours remaining, 233.378906 MB of memory in use. ENERGY: 1474600 3984.4859 20510.5612 14488.4409 246.1825 -203741.7394 2827.7806 0.0000 0.0000 52117.7139 -109566.5743 299.5212 -161684.2882 -109198.9259 298.4470 -41.6894 -14.1393 762779.6779 -2.9914 -3.1877 PRESSURE: 1474800 332.071 96.9389 155.061 96.939 -84.7513 88.5168 155.062 88.5164 -93.1755 GPRESSURE: 1474800 276.898 47.4586 213.086 193.3 19.5853 103.711 55.6199 123.639 -71.5531 PRESSAVG: 1474800 4.09636 10.8441 13.3605 10.8441 4.28177 16.2149 13.3606 16.215 -5.8887 GPRESSAVG: 1474800 3.00091 13.1778 12.768 11.3195 4.92515 17.1325 13.7157 16.129 -5.34796 TIMING: 1474800 CPU: 4662.23, 0.00318976/step Wall: 4662.23, 0.00318976/step, 3.12349 hours remaining, 233.378906 MB of memory in use. ENERGY: 1474800 4014.2627 20392.3598 14585.5906 246.0039 -203624.4607 2732.9264 0.0000 0.0000 52154.2699 -109499.0474 299.7313 -161653.3173 -109144.6697 298.8563 51.3815 74.9767 761922.5457 0.8298 0.8594 PRESSURE: 1475000 -118.944 -83.8853 101.21 -83.8845 43.4585 -200.074 101.211 -200.075 378.531 GPRESSURE: 1475000 -76.9889 -84.4804 181.665 -62.1797 121.702 -125.274 17.6326 -193.518 353.857 PRESSAVG: 1475000 -23.2063 -14.3946 3.23233 -14.3947 13.1116 20.7302 3.23238 20.7302 -26.895 GPRESSAVG: 1475000 -23.7207 -15.2259 3.68357 -14.6773 12.5743 20.1763 2.23282 20.4621 -26.1914 TIMING: 1475000 CPU: 4662.86, 0.00314991/step Wall: 4662.86, 0.00314991/step, 3.08428 hours remaining, 233.378906 MB of memory in use. ENERGY: 1475000 3931.7213 20623.4524 14569.2434 214.7001 -203502.3448 2732.9526 0.0000 0.0000 52084.0854 -109346.1896 299.3280 -161430.2750 -108991.4283 299.3950 101.0152 132.8567 760339.9573 -12.3299 -12.4459 PRESSURE: 1475200 -55.4412 -67.8024 159.281 -67.8029 22.6341 142.741 159.28 142.741 308.994 GPRESSURE: 1475200 -106.096 -102.648 149.618 -14.8964 139.031 51.3891 182.564 104.556 333.209 PRESSAVG: 1475200 0.997969 -1.56138 -17.3658 -1.56129 10.8388 23.4434 -17.3659 23.4433 -22.0104 GPRESSAVG: 1475200 0.506623 -2.69776 -17.3114 0.0914787 10.9793 24.3016 -16.4306 23.3155 -21.3868 TIMING: 1475200 CPU: 4663.49, 0.00314173/step Wall: 4663.49, 0.00314173/step, 3.0761 hours remaining, 233.378906 MB of memory in use. ENERGY: 1475200 3938.8574 20639.4563 14528.8696 257.2617 -203167.8559 2621.8877 0.0000 0.0000 51829.2177 -109352.3056 297.8632 -161181.5233 -108997.0596 299.5443 92.0624 122.0479 762609.6937 -3.3912 -3.3003 PRESSURE: 1475400 -317.983 147.742 -30.0041 147.742 181.125 65.2672 -30.0041 65.2672 128.453 GPRESSURE: 1475400 -222.456 172.095 -86.4737 110.391 194.219 75.6187 36.8456 87.2673 116.895 PRESSAVG: 1475400 10.4627 16.1134 20.5152 16.1134 -23.7977 23.9657 20.5152 23.9657 -6.5687 GPRESSAVG: 1475400 11.9617 18.0096 20.8415 13.3075 -23.5681 23.5105 21.3666 23.7565 -7.94405 TIMING: 1475400 CPU: 4664.12, 0.00315965/step Wall: 4664.12, 0.00315965/step, 3.09348 hours remaining, 233.378906 MB of memory in use. ENERGY: 1475400 4006.8965 20425.7867 14519.5251 244.2670 -203282.3135 2683.8155 0.0000 0.0000 51977.7171 -109424.3056 298.7167 -161402.0227 -109063.0101 299.1546 -2.8017 29.5527 763093.4971 -6.6346 -6.5168 PRESSURE: 1475600 294.857 58.989 192.967 58.99 67.5095 187.093 192.967 187.094 116.238 GPRESSURE: 1475600 357.516 -50.3215 208.228 35.1877 104.489 85.1591 254.815 166.498 107.625 PRESSAVG: 1475600 19.8119 -6.96271 -22.1904 -6.96272 -37.3777 17.2002 -22.1903 17.2002 11.3838 GPRESSAVG: 1475600 20.308 -7.03626 -22.5928 -4.75384 -37.9254 18.2286 -22.3785 17.0969 11.1502 TIMING: 1475600 CPU: 4664.75, 0.0031599/step Wall: 4664.75, 0.0031599/step, 3.09354 hours remaining, 233.378906 MB of memory in use. ENERGY: 1475600 3954.3493 20563.1262 14537.1053 249.3942 -203158.1487 2512.9279 0.0000 0.0000 51851.1921 -109490.0536 297.9895 -161341.2457 -109126.1160 299.2922 159.5349 189.8765 760930.3181 -2.0607 -2.1557 PRESSURE: 1475800 -75.8722 105.26 -72.7616 105.26 191.764 -178.148 -72.7618 -178.148 269.469 GPRESSURE: 1475800 -130.676 92.2025 -74.5972 137.574 258.798 -131.135 -80.0131 -205.645 340.369 PRESSAVG: 1475800 55.6827 -3.05295 -16.5158 -3.05293 -61.4494 29.1044 -16.5159 29.1045 20.1666 GPRESSAVG: 1475800 54.2077 -2.88683 -15.3279 -5.62924 -61.3774 29.4739 -19.0718 26.42 21.169 TIMING: 1475800 CPU: 4665.38, 0.0031634/step Wall: 4665.38, 0.0031634/step, 3.09679 hours remaining, 233.378906 MB of memory in use. ENERGY: 1475800 3968.9350 20524.1640 14594.0207 240.0914 -203466.0945 2818.5801 0.0000 0.0000 52097.1965 -109223.1068 299.4033 -161320.3033 -108862.4790 299.5819 128.4537 156.1638 761665.1416 4.7999 4.6664 PRESSURE: 1476000 -154.893 31.2145 -59.6613 31.2142 -191.439 149.222 -59.6615 149.221 267.015 GPRESSURE: 1476000 -55.8841 40.6591 -116.122 -41.0999 -166.373 168.767 0.624215 118.717 203.24 PRESSAVG: 1476000 17.9141 8.17629 28.881 8.17631 -71.9779 -4.26757 28.8809 -4.26749 5.02595 GPRESSAVG: 1476000 18.6359 7.86267 26.0307 8.63855 -71.3417 -3.98956 30.5121 -2.01529 3.75868 TIMING: 1476000 CPU: 4666.02, 0.00316533/step Wall: 4666.02, 0.00316533/step, 3.09851 hours remaining, 233.378906 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: 1476000 3970.0993 20520.8344 14512.5008 239.6924 -203576.9993 2695.3265 0.0000 0.0000 52067.7273 -109570.8185 299.2339 -161638.5458 -109205.7013 299.0537 -26.4390 -6.3390 762088.6929 -16.3459 -16.3157 PRESSURE: 1476200 -121.477 -119.992 -24.0903 -119.991 204.478 221.817 -24.0905 221.817 195.787 GPRESSURE: 1476200 -102.949 -21.1855 -4.77015 -158.391 259.555 225.782 38.1001 114.01 205.632 PRESSAVG: 1476200 -30.946 13.0496 54.2137 13.0495 19.1735 33.0504 54.2137 33.0503 -4.60608 GPRESSAVG: 1476200 -32.3317 12.8737 54.5729 14.8065 19.1047 31.174 55.5223 31.772 -3.54796 TIMING: 1476200 CPU: 4666.65, 0.00316899/step Wall: 4666.65, 0.00316899/step, 3.10192 hours remaining, 233.378906 MB of memory in use. ENERGY: 1476200 3979.1739 20533.8799 14484.3450 226.8134 -203351.4512 2686.2983 0.0000 0.0000 52004.6010 -109436.3398 298.8712 -161440.9407 -109063.3507 299.4745 92.9292 120.7458 760585.4793 -5.4595 -5.5917 LDB: ============= START OF LOAD BALANCING ============== 4679.18 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4679.18 LDB: =============== DONE WITH MIGRATION ================ 4679.18 LDB: ============= START OF LOAD BALANCING ============== 4679.5 LDB: Largest compute 7042 load 0.030846 is 15.8% of average load 0.195430 LDB: Average compute 0.004388 is 2.2% of average load 0.195430 LDB: TIME 4679.5 LOAD: AVG 0.19543 MAX 0.218103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.18 MB LDB: TIME 4679.5 LOAD: AVG 0.19543 MAX 0.218103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.18 MB LDB: TIME 4679.5 LOAD: AVG 0.19543 MAX 0.218103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.18 MB LDB: ============== END OF LOAD BALANCING =============== 4679.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4679.51 PRESSURE: 1476400 -70.2611 -45.9611 159.105 -45.9595 -108.725 -139.216 159.105 -139.214 -37.5632 GPRESSURE: 1476400 36.0859 -8.91805 69.04 -45.4082 -135.352 -118.616 197.166 -103.051 -8.181 PRESSAVG: 1476400 -16.892 -21.4468 62.3838 -21.4467 25.565 23.3518 62.3839 23.3517 -17.2942 GPRESSAVG: 1476400 -15.6997 -23.0682 65.2209 -20.3427 24.2947 23.4603 60.0243 24.8261 -17.1471 TIMING: 1476400 CPU: 4667.29, 0.0032289/step Wall: 4667.29, 0.0032289/step, 3.16038 hours remaining, 233.648438 MB of memory in use. ENERGY: 1476400 3924.4248 20397.8997 14465.0222 238.4139 -203717.6486 2894.5465 0.0000 0.0000 52348.6040 -109448.7375 300.8481 -161797.3416 -109077.6557 299.4347 -72.1831 -35.8158 761981.3673 -2.8737 -2.8507 PRESSURE: 1476600 -405.686 -69.9802 105.431 -69.9805 91.3039 80.7718 105.431 80.771 -443.455 GPRESSURE: 1476600 -390.883 -15.7299 106.232 -63.0142 103.842 90.5259 -93.4413 -15.528 -367.062 PRESSAVG: 1476600 6.39758 0.70197 27.4606 0.701966 -16.3783 9.58548 27.4605 9.58538 31.1133 GPRESSAVG: 1476600 6.84438 2.52643 27.3063 -0.540887 -15.9652 9.50126 27.688 10.3883 30.4616 TIMING: 1476600 CPU: 4667.93, 0.00315928/step Wall: 4667.93, 0.00315928/step, 3.09206 hours remaining, 233.921875 MB of memory in use. ENERGY: 1476600 4021.7301 20375.5769 14518.8776 241.5844 -203497.0886 2614.6183 0.0000 0.0000 52292.0495 -109432.6518 300.5231 -161724.7013 -109065.3765 298.8266 -252.6122 -218.0342 762272.1326 7.0442 7.1136 PRESSURE: 1476800 40.7442 62.5208 75.1306 62.5205 5.49178 -194.514 75.1306 -194.516 -86.2382 GPRESSURE: 1476800 102.694 -20.3266 75.5033 87.8134 41.2969 -123.228 87.5317 -231.089 -104.193 PRESSAVG: 1476800 16.1975 11.9851 42.8904 11.9851 16.2128 -6.05841 42.8904 -6.0585 8.27532 GPRESSAVG: 1476800 15.9685 10.8219 43.2117 10.8087 15.9889 -4.57874 42.1724 -7.31659 8.62215 TIMING: 1476800 CPU: 4668.56, 0.00317119/step Wall: 4668.56, 0.00317119/step, 3.10353 hours remaining, 233.921875 MB of memory in use. ENERGY: 1476800 4027.2399 20582.7893 14529.8465 243.0212 -203779.8522 2848.8888 0.0000 0.0000 52187.3673 -109360.6993 299.9215 -161548.0666 -109000.0976 299.6453 -13.3341 13.2659 761002.0731 13.5619 13.5265 PRESSURE: 1477000 -319.32 18.9993 24.7132 18.9995 -335.654 28.4974 24.7127 28.4977 -21.4614 GPRESSURE: 1477000 -376.414 8.34443 -12.6927 37.0308 -184.037 -0.354305 39.7989 84.6798 -21.5821 PRESSAVG: 1477000 -19.7322 -28.2074 -27.9738 -28.2074 26.7558 -21.475 -27.9737 -21.4749 2.62378 GPRESSAVG: 1477000 -20.9936 -28.7913 -30.8014 -26.0208 27.9822 -23.1955 -26.7625 -22.7683 1.88369 TIMING: 1477000 CPU: 4669.19, 0.0031396/step Wall: 4669.19, 0.0031396/step, 3.07245 hours remaining, 233.921875 MB of memory in use. ENERGY: 1477000 4038.0304 20454.0062 14496.3943 256.7336 -203017.8946 2496.8504 0.0000 0.0000 51870.3446 -109405.5350 298.0996 -161275.8796 -109039.6404 299.7841 -225.4785 -194.0112 762018.5450 3.2158 2.9574 PRESSURE: 1477200 32.5842 -26.4035 -235.696 -26.4033 64.9184 99.9907 -235.697 99.9907 -457.734 GPRESSURE: 1477200 97.8487 -81.8234 -343.912 18.3809 25.458 186.953 -171.633 81.2942 -411.896 PRESSAVG: 1477200 -29.3803 -17.9088 7.19873 -17.9088 -3.08889 13.4339 7.19875 13.4339 12.7867 GPRESSAVG: 1477200 -28.1953 -15.4859 7.81842 -19.1133 -4.16774 14.0935 5.61648 14.3624 12.7327 TIMING: 1477200 CPU: 4669.82, 0.0031565/step Wall: 4669.82, 0.0031565/step, 3.08881 hours remaining, 233.921875 MB of memory in use. ENERGY: 1477200 3965.4496 20496.7179 14570.1847 262.9039 -203487.3351 2554.1130 0.0000 0.0000 52233.0690 -109404.8971 300.1842 -161637.9661 -109045.1374 299.4561 -120.0773 -96.1963 760578.8663 -6.5608 -6.5434 PRESSURE: 1477400 -69.9426 90.0107 -17.175 90.0111 -430.667 58.3563 -17.1746 58.3563 -379.036 GPRESSURE: 1477400 -143.145 235.078 -9.7174 9.96599 -232.467 3.69257 -8.62261 -37.3157 -413.548 PRESSAVG: 1477400 -33.0745 -39.277 -12.2265 -39.277 66.3605 -9.99736 -12.2264 -9.99736 -40.9523 GPRESSAVG: 1477400 -35.6779 -39.7826 -12.7154 -38.4318 68.0253 -10.1859 -9.75192 -9.38532 -40.1911 TIMING: 1477400 CPU: 4670.45, 0.00315887/step Wall: 4670.45, 0.00315887/step, 3.09096 hours remaining, 233.921875 MB of memory in use. ENERGY: 1477400 3968.3712 20388.1789 14506.9560 245.1761 -202813.3308 2395.5795 0.0000 0.0000 52012.5024 -109296.5668 298.9166 -161309.0692 -108930.1110 299.3507 -293.2153 -263.0531 763978.9982 -2.5554 -2.6146 PRESSURE: 1477600 -422.071 -220.835 136.754 -220.834 -118.819 -64.8315 136.754 -64.8314 -349.566 GPRESSURE: 1477600 -289.193 -134.713 133.597 -105.706 -147.435 -86.7344 31.7402 -36.7072 -337.03 PRESSAVG: 1477600 -14.5183 3.16666 23.6646 3.16672 -2.05047 31.4514 23.6646 31.4514 -9.39859 GPRESSAVG: 1477600 -13.416 2.80375 24.7311 4.45669 -2.94781 33.0563 23.1138 30.6485 -9.66122 TIMING: 1477600 CPU: 4671.08, 0.00314282/step Wall: 4671.08, 0.00314282/step, 3.07508 hours remaining, 233.921875 MB of memory in use. ENERGY: 1477600 3973.7828 20448.3641 14669.2200 257.5481 -203171.4977 2281.1092 0.0000 0.0000 51908.4443 -109633.0291 298.3185 -161541.4734 -109282.9186 298.7544 -296.8186 -257.8859 761703.9548 -8.6558 -8.6750 PRESSURE: 1477800 -59.6843 210.914 -125.655 210.914 -430.32 99.3249 -125.654 99.3232 -357.72 GPRESSURE: 1477800 -31.6266 160.512 -60.6449 254.395 -414.73 101.126 -81.4034 6.43519 -308.819 PRESSAVG: 1477800 -40.772 54.3726 30.1523 54.3727 50.0626 21.0795 30.1523 21.0795 13.2086 GPRESSAVG: 1477800 -40.2643 55.0834 31.855 52.2244 49.8228 19.1204 29.6463 22.7198 12.8457 TIMING: 1477800 CPU: 4671.71, 0.00314668/step Wall: 4671.71, 0.00314668/step, 3.07868 hours remaining, 233.921875 MB of memory in use. ENERGY: 1477800 3907.9801 20332.3617 14638.5603 256.6331 -203074.9159 2368.9614 0.0000 0.0000 52014.9577 -109555.4617 298.9307 -161570.4193 -109188.4224 298.6788 -282.5745 -251.7251 761515.2032 7.4997 7.4681 PRESSURE: 1478000 -137.746 -195.23 54.6978 -195.229 309.455 170.836 54.698 170.836 53.3226 GPRESSURE: 1478000 -76.5731 -41.1756 124.96 -191.649 324.834 139.352 -22.9258 152.598 50.2152 PRESSAVG: 1478000 -25.7753 12.2539 16.9506 12.2539 -18.4467 -1.32384 16.9506 -1.32386 -0.162034 GPRESSAVG: 1478000 -26.5662 11.4521 15.7883 12.7819 -18.0403 -0.0699297 16.0487 -1.75485 -0.00712251 TIMING: 1478000 CPU: 4672.34, 0.00316186/step Wall: 4672.34, 0.00316186/step, 3.09335 hours remaining, 233.921875 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: 1478000 3951.6921 20440.9621 14548.3726 253.8903 -203307.6482 2572.7497 0.0000 0.0000 52110.8915 -109429.0899 299.4820 -161539.9814 -109060.9137 298.9897 75.0107 99.4920 761982.0167 -14.7947 -14.8712 PRESSURE: 1478200 -196.599 266.313 -326.435 266.313 -27.9595 -177.174 -326.435 -177.174 90.0793 GPRESSURE: 1478200 -68.366 224.244 -327.125 243.369 -83.7411 -129.143 -192.335 -59.854 117.472 PRESSAVG: 1478200 -26.0714 35.2765 -26.2604 35.2766 10.85 10.4945 -26.2604 10.4944 21.7296 GPRESSAVG: 1478200 -25.7762 33.7302 -26.6715 36.2879 9.51128 9.88703 -25.4984 10.4662 22.6004 TIMING: 1478200 CPU: 4672.97, 0.00315186/step Wall: 4672.97, 0.00315186/step, 3.0834 hours remaining, 233.921875 MB of memory in use. ENERGY: 1478200 3986.4066 20338.2202 14547.6440 234.8653 -203121.0242 2389.6445 0.0000 0.0000 51955.6411 -109668.6025 298.5898 -161624.2436 -109299.9701 298.5068 -44.8263 -11.5450 761413.2006 2.1694 2.1118 PRESSURE: 1478400 -158.915 -177.282 -215.946 -177.281 302.035 268.013 -215.946 268.013 62.5559 GPRESSURE: 1478400 -63.5913 -167.754 -206.876 -135.238 327.18 175.919 -184.482 269.803 19.2344 PRESSAVG: 1478400 25.2597 24.7123 -45.1124 24.7122 -33.3339 21.7766 -45.1123 21.7765 -8.95149 GPRESSAVG: 1478400 26.5281 26.3932 -47.3022 23.6133 -32.9382 20.3072 -46.0512 22.0554 -10.4823 TIMING: 1478400 CPU: 4673.6, 0.00313956/step Wall: 4673.6, 0.00313956/step, 3.07119 hours remaining, 233.921875 MB of memory in use. ENERGY: 1478400 3970.1239 20546.4776 14497.8485 236.8632 -203515.2295 2652.1500 0.0000 0.0000 52012.4281 -109599.3382 298.9161 -161611.7663 -109238.7665 298.7007 68.5587 94.2742 760676.1799 -5.6753 -5.6308 PRESSURE: 1478600 67.0437 -136.753 -231.661 -136.753 -90.7163 -190.449 -231.661 -190.449 133.086 GPRESSURE: 1478600 104.197 -125.53 -182.369 -132.928 -49.5024 -151.984 -257.182 -150.865 136.732 PRESSAVG: 1478600 10.5135 -34.4833 -44.4417 -34.4832 -16.9044 65.3531 -44.4417 65.3532 3.16464 GPRESSAVG: 1478600 10.1551 -35.7 -42.4867 -34.2395 -15.674 66.5727 -43.9217 66.6997 2.34893 TIMING: 1478600 CPU: 4674.23, 0.00312432/step Wall: 4674.23, 0.00312432/step, 3.05611 hours remaining, 234.125000 MB of memory in use. ENERGY: 1478600 3967.9283 20607.6899 14493.7756 248.1834 -203398.8145 2538.3238 0.0000 0.0000 52029.1498 -109513.7637 299.0122 -161542.9136 -109153.8930 298.8886 36.4712 63.8091 760466.6194 -1.0754 -1.0567 PRESSURE: 1478800 -569.748 173.219 116.08 173.22 -165.276 -20.7021 116.081 -20.7033 -473.24 GPRESSURE: 1478800 -514.096 253.113 120.582 23.034 -196.404 -75.2033 71.3784 -83.2449 -415.278 PRESSAVG: 1478800 11.3243 23.3014 -45.4276 23.3014 -57.9765 4.38482 -45.4276 4.38478 -10.1736 GPRESSAVG: 1478800 10.6929 24.1866 -46.6862 22.8399 -59.0155 4.87339 -44.4443 2.51949 -8.28899 TIMING: 1478800 CPU: 4674.85, 0.0031228/step Wall: 4674.85, 0.0031228/step, 3.05444 hours remaining, 234.125000 MB of memory in use. ENERGY: 1478800 4062.6738 20535.3696 14567.3347 258.3273 -203406.4119 2573.3697 0.0000 0.0000 51952.9825 -109456.3543 298.5745 -161409.3368 -109101.0162 298.9431 -402.7545 -375.2594 760583.8087 -18.9419 -18.8705 PRESSURE: 1479000 -179.882 104.965 48.9608 104.965 -281.093 85.4372 48.9616 85.4385 -521.126 GPRESSURE: 1479000 -247.152 37.1472 21.7819 8.26691 -220.491 99.3857 58.1099 122.872 -416.732 PRESSAVG: 1479000 -9.39409 35.0779 -14.8132 35.0778 14.5198 39.5309 -14.8131 39.5309 2.72514 GPRESSAVG: 1479000 -10.3155 36.2773 -13.472 35.2509 15.2202 39.6531 -14.0623 39.7329 2.54854 TIMING: 1479000 CPU: 4675.48, 0.00314795/step Wall: 4675.48, 0.00314795/step, 3.07887 hours remaining, 234.113281 MB of memory in use. ENERGY: 1479000 3976.3585 20542.4454 14592.3007 255.3402 -203298.8788 2547.6678 0.0000 0.0000 51875.2316 -109509.5346 298.1277 -161384.7662 -109157.7296 298.8426 -327.3671 -294.7915 761343.9220 2.6170 2.4844 PRESSURE: 1479200 26.2688 -226.861 -234.181 -226.861 -71.3728 -81.4483 -234.181 -81.4488 -189.314 GPRESSURE: 1479200 14.4877 -224.208 -284.413 -252.396 1.21334 -18.1639 -262.763 -202.42 -163.225 PRESSAVG: 1479200 -5.54461 -5.62649 -34.7915 -5.62653 -10.5233 33.2265 -34.7916 33.2265 13.5634 GPRESSAVG: 1479200 -5.49152 -6.19799 -35.4715 -5.53082 -10.516 32.3858 -37.2805 35.0872 13.7171 TIMING: 1479200 CPU: 4676.11, 0.00313478/step Wall: 4676.11, 0.00313478/step, 3.06582 hours remaining, 234.113281 MB of memory in use. ENERGY: 1479200 4048.0431 20435.4630 14613.0049 236.1869 -203526.9383 2716.3199 0.0000 0.0000 51871.4793 -109606.4412 298.1061 -161477.9205 -109241.5397 299.3211 -78.1393 -49.1746 759155.5605 -0.8348 -0.7635 PRESSURE: 1479400 -193.556 132.297 252.814 132.297 -420.476 201.693 252.815 201.693 -331.583 GPRESSURE: 1479400 -78.7993 62.9605 148.223 139.323 -481.589 163.702 263.82 157.224 -289.562 PRESSAVG: 1479400 11.4092 -38.94 -34.7631 -38.94 -38.3312 7.39927 -34.7631 7.39923 -7.42053 GPRESSAVG: 1479400 12.2271 -39.8703 -35.948 -38.8326 -38.87 9.00382 -33.5558 6.98484 -8.09548 TIMING: 1479400 CPU: 4676.73, 0.00314176/step Wall: 4676.73, 0.00314176/step, 3.07247 hours remaining, 234.113281 MB of memory in use. ENERGY: 1479400 3973.5357 20441.3672 14558.4601 248.4680 -203448.2676 2598.2436 0.0000 0.0000 52010.2646 -109617.9283 298.9037 -161628.1929 -109268.2960 298.7501 -315.2054 -283.3169 760391.7472 -11.4475 -11.5795 PRESSURE: 1479600 328.616 -22.9795 -115.813 -22.978 -229.674 143.249 -115.812 143.249 -288.452 GPRESSURE: 1479600 249.673 17.7403 -44.801 -11.2817 -171.479 104.485 -157.451 212.754 -173.456 PRESSAVG: 1479600 33.1172 15.7408 -10.8777 15.7408 -60.4302 46.4849 -10.8777 46.4848 7.78509 GPRESSAVG: 1479600 33.8263 15.8704 -10.4917 16.9768 -60.6959 46.5274 -9.21535 46.4085 8.31721 TIMING: 1479600 CPU: 4677.36, 0.00313469/step Wall: 4677.36, 0.00313469/step, 3.06538 hours remaining, 234.113281 MB of memory in use. ENERGY: 1479600 3963.4228 20355.4063 14624.5971 241.0851 -203992.3782 2922.3324 0.0000 0.0000 52229.4301 -109656.1045 300.1633 -161885.5346 -109290.2379 298.7431 -63.1699 -31.7542 760237.5519 -6.5093 -6.1841 PRESSURE: 1479800 -166.268 -207.945 161.648 -207.944 -229.275 -11.5578 161.648 -11.557 -404.489 GPRESSURE: 1479800 -116.707 -148.549 53.9127 -289.085 -193.028 11.495 203.476 -13.8732 -408.63 PRESSAVG: 1479800 -3.67688 -21.4563 26.0729 -21.4563 -10.7588 0.373007 26.0729 0.372932 -5.9291 GPRESSAVG: 1479800 -2.87637 -20.8342 26.7549 -21.8565 -10.2569 -0.241993 25.3724 0.548581 -7.00682 TIMING: 1479800 CPU: 4677.99, 0.0031424/step Wall: 4677.99, 0.0031424/step, 3.07274 hours remaining, 234.113281 MB of memory in use. ENERGY: 1479800 3968.3054 20469.6519 14470.6028 227.7812 -203344.6605 2551.3290 0.0000 0.0000 51903.5830 -109753.4071 298.2906 -161656.9901 -109390.4977 298.3901 -266.6773 -239.4551 762008.5313 -6.7883 -6.7134 PRESSURE: 1480000 -144.416 148.538 -319.436 148.538 -335.68 -73.4451 -319.435 -73.4453 -321.353 GPRESSURE: 1480000 -44.2236 12.9883 -280.123 104.139 -347.588 -49.2699 -194.627 -69.242 -343.472 PRESSAVG: 1480000 17.7569 0.909214 -47.7227 0.909227 -4.0282 -3.69658 -47.7227 -3.69656 -0.883158 GPRESSAVG: 1480000 16.9897 0.463241 -49.6325 0.461867 -3.36827 -2.28851 -48.5339 -4.83808 -0.785611 TIMING: 1480000 CPU: 4678.62, 0.00312617/step Wall: 4678.62, 0.00312617/step, 3.0567 hours remaining, 234.101562 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: 1480000 4037.1486 20463.3735 14638.8046 242.4569 -203914.9387 2675.0041 0.0000 0.0000 52105.1935 -109752.9574 299.4493 -161858.1509 -109384.4434 298.5524 -267.1495 -245.0944 764076.4581 4.2819 4.2786 PRESSURE: 1480200 -101.001 174.551 -68.9084 174.551 114.937 -13.9194 -68.9089 -13.9196 -255.171 GPRESSURE: 1480200 -99.1502 197.708 -105.16 213.36 148.328 49.7984 -123.954 121.823 -187.459 PRESSAVG: 1480200 30.9857 4.04199 -66.6613 4.04197 -47.859 23.5283 -66.6613 23.5283 -19.1801 GPRESSAVG: 1480200 30.9983 4.36143 -64.9904 4.81562 -48.1443 22.2381 -68.866 24.4579 -19.3035 TIMING: 1480200 CPU: 4679.25, 0.00315366/step Wall: 4679.25, 0.00315366/step, 3.0834 hours remaining, 234.125000 MB of memory in use. ENERGY: 1480200 4035.3036 20460.6981 14477.3467 239.5262 -203633.5540 2574.5321 0.0000 0.0000 52034.9687 -109811.1786 299.0457 -161846.1473 -109451.8547 299.1587 -80.4115 -46.0938 763300.3579 -12.0178 -12.1498 LDB: ============= START OF LOAD BALANCING ============== 4691.78 LDB: ============== END OF LOAD BALANCING =============== 4691.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4691.78 LDB: ============= START OF LOAD BALANCING ============== 4692.1 LDB: Largest compute 7037 load 0.032507 is 16.6% of average load 0.195372 LDB: Average compute 0.004377 is 2.2% of average load 0.195372 LDB: TIME 4692.1 LOAD: AVG 0.195372 MAX 0.217318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.902 MB LDB: TIME 4692.1 LOAD: AVG 0.195372 MAX 0.217318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: TIME 4692.1 LOAD: AVG 0.195372 MAX 0.217318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.109 MB LDB: ============== END OF LOAD BALANCING =============== 4692.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4692.11 PRESSURE: 1480400 24.7651 -246.004 -91.1308 -246.003 -17.9029 -165.083 -91.131 -165.083 -124.956 GPRESSURE: 1480400 41.9781 -188.838 -105.317 -229.193 30.3661 -188.737 -48.4845 -138.745 -117.804 PRESSAVG: 1480400 -6.89216 -28.5922 -13.5581 -28.5922 4.97662 17.2429 -13.5582 17.243 14.6063 GPRESSAVG: 1480400 -8.15475 -29.2211 -13.4451 -27.6777 4.81998 17.6719 -11.7345 16.0112 15.9857 TIMING: 1480400 CPU: 4679.89, 0.00321711/step Wall: 4679.89, 0.00321711/step, 3.14526 hours remaining, 233.187500 MB of memory in use. ENERGY: 1480400 3995.2042 20364.3375 14568.1502 251.0787 -203861.0750 2764.4146 0.0000 0.0000 51969.1617 -109948.7281 298.6675 -161917.8898 -109581.2000 298.5613 -39.3646 -15.1533 761704.1088 4.2302 4.2170 PRESSURE: 1480600 390.976 -73.9954 -273.586 -73.9961 204.752 -24.3847 -273.587 -24.3852 266.64 GPRESSURE: 1480600 290.722 -104.343 -181.686 -14.2446 258.319 91.9576 -202.664 -71.693 394.468 PRESSAVG: 1480600 -20.4337 -28.3144 28.503 -28.3144 5.31757 15.4391 28.5029 15.439 -1.46458 GPRESSAVG: 1480600 -18.3315 -26.3551 28.5555 -29.6734 3.81394 14.6368 28.4661 16.0207 -1.86229 TIMING: 1480600 CPU: 4680.52, 0.00316521/step Wall: 4680.52, 0.00316521/step, 3.09435 hours remaining, 233.390625 MB of memory in use. ENERGY: 1480600 4006.2745 20412.0490 14562.6277 247.5105 -203603.1172 2683.8082 0.0000 0.0000 51819.3303 -109871.5169 297.8064 -161690.8472 -109502.4379 297.7198 287.4560 314.5028 762550.4260 -5.5269 -5.4599 PRESSURE: 1480800 -104.226 -150.066 -132.588 -150.065 238.313 -311.75 -132.588 -311.75 49.4229 GPRESSURE: 1480800 -77.5576 -141.21 -109.737 -144.984 274.427 -355.786 -46.2725 -254.804 77.6031 PRESSAVG: 1480800 -49.6278 -17.3429 -7.39388 -17.3428 77.276 -14.1012 -7.3939 -14.1012 12.5479 GPRESSAVG: 1480800 -50.6217 -18.2092 -7.45627 -17.574 77.651 -14.4411 -8.316 -14.4196 12.9978 TIMING: 1480800 CPU: 4681.15, 0.00315976/step Wall: 4681.15, 0.00315976/step, 3.08884 hours remaining, 233.390625 MB of memory in use. ENERGY: 1480800 3911.1750 20605.5399 14570.1766 223.7300 -203707.5763 2588.4507 0.0000 0.0000 51968.1627 -109840.3414 298.6617 -161808.5042 -109477.5791 298.2540 61.1701 91.4907 760323.0987 13.3987 13.3424 PRESSURE: 1481000 4.65763 -96.7886 -42.0961 -96.7881 -172.817 -63.244 -42.0968 -63.243 80.6427 GPRESSURE: 1481000 2.18908 -94.2081 -1.4024 -200.244 -93.7059 -133.897 -47.1329 -102.4 83.8017 PRESSAVG: 1481000 -68.0133 6.16111 29.7965 6.16106 14.86 45.7789 29.7965 45.779 -0.996892 GPRESSAVG: 1481000 -67.4509 5.5284 28.4417 5.30864 15.628 46.4706 31.9188 46.3576 -1.89654 TIMING: 1481000 CPU: 4681.78, 0.00314551/step Wall: 4681.78, 0.00314551/step, 3.07473 hours remaining, 233.390625 MB of memory in use. ENERGY: 1481000 3948.4246 20478.9937 14594.4147 244.5608 -203688.9554 2735.7374 0.0000 0.0000 52034.2438 -109652.5804 299.0415 -161686.8242 -109272.0525 298.3473 -29.1723 -2.5717 761870.1353 -18.0501 -17.9065 PRESSURE: 1481200 -472.171 -109.452 -5.19745 -109.452 -278.928 50.3399 -5.19731 50.3389 -47.9233 GPRESSURE: 1481200 -379.283 -60.0423 -37.0669 -61.7941 -226.564 81.4942 -85.6655 66.6666 -132.509 PRESSAVG: 1481200 -48.397 -19.0674 37.6962 -19.0675 35.6084 53.2851 37.6962 53.2851 -1.92612 GPRESSAVG: 1481200 -49.8119 -15.8724 36.8353 -19.8582 35.4941 53.1703 36.1831 53.3078 -0.434214 TIMING: 1481200 CPU: 4682.41, 0.00313318/step Wall: 4682.41, 0.00313317/step, 3.0625 hours remaining, 233.390625 MB of memory in use. ENERGY: 1481200 4024.0233 20546.0385 14503.4550 244.7218 -203745.2676 3006.7941 0.0000 0.0000 51974.3776 -109445.8573 298.6975 -161420.2349 -109078.8630 298.7089 -266.3408 -246.1185 763387.2089 -4.9049 -4.9173 PRESSURE: 1481400 186.118 -126.394 184.446 -126.394 -85.6216 93.7329 184.446 93.7324 -38.5298 GPRESSURE: 1481400 189.28 -60.9489 234.561 -80.0952 -1.86404 76.0223 136.573 108.171 -36.9589 PRESSAVG: 1481400 16.9082 -17.0591 -5.78178 -17.0591 -3.61549 43.9623 -5.78172 43.9624 20.8438 GPRESSAVG: 1481400 16.5161 -19.298 -4.14302 -14.983 -2.18012 43.3861 -6.06026 45.0354 19.3222 TIMING: 1481400 CPU: 4683.04, 0.00314341/step Wall: 4683.04, 0.00314341/step, 3.07233 hours remaining, 233.390625 MB of memory in use. ENERGY: 1481400 3939.1409 20430.9931 14487.9037 252.1030 -203762.4222 2718.8132 0.0000 0.0000 52329.5641 -109603.9042 300.7387 -161933.4683 -109231.3118 299.0189 20.6555 50.1523 762802.8704 11.3788 11.2194 PRESSURE: 1481600 -577.831 64.3895 -248.98 64.39 -318.506 -229.717 -248.979 -229.718 -91.4889 GPRESSURE: 1481600 -413.727 137.143 -219.568 63.1031 -368.539 -239.481 -199.901 -255.778 -104.133 PRESSAVG: 1481600 37.5507 -32.9117 -16.0672 -32.9117 -55.6763 35.2417 -16.0671 35.2417 -6.79043 GPRESSAVG: 1481600 39.2901 -33.403 -17.2149 -34.1044 -56.5239 35.9557 -14.1329 33.7741 -6.92607 TIMING: 1481600 CPU: 4683.67, 0.00315143/step Wall: 4683.67, 0.00315143/step, 3.07999 hours remaining, 233.390625 MB of memory in use. ENERGY: 1481600 3964.9988 20421.0006 14535.5974 249.8173 -203463.7188 2548.6226 0.0000 0.0000 51974.5292 -109769.1529 298.6983 -161743.6821 -109402.1153 298.7154 -329.2753 -295.4666 763083.3702 -8.3053 -8.0533 PRESSURE: 1481800 113.632 -148.259 70.6976 -148.261 -298.073 55.7268 70.6982 55.7283 -178.127 GPRESSURE: 1481800 115.925 -94.0444 30.0661 -216.551 -273.085 115.508 -6.7743 86.4383 -130.388 PRESSAVG: 1481800 47.0926 -54.274 4.96361 -54.274 -47.6013 18.0764 4.96363 18.0763 18.5873 GPRESSAVG: 1481800 47.3152 -53.7814 5.1999 -54.289 -48.109 17.0644 4.04139 19.2057 19.1309 TIMING: 1481800 CPU: 4684.3, 0.00313631/step Wall: 4684.3, 0.00313631/step, 3.06504 hours remaining, 233.390625 MB of memory in use. ENERGY: 1481800 4017.7636 20438.7894 14612.2524 233.9708 -203752.6360 3051.9401 0.0000 0.0000 51769.8482 -109628.0715 297.5220 -161397.9198 -109273.1475 298.4658 -120.8561 -95.8494 763569.0564 6.0262 6.1123 PRESSURE: 1482000 -11.2768 -51.6124 -220.04 -51.6121 36.6641 -48.9424 -220.04 -48.9423 243.978 GPRESSURE: 1482000 66.8466 58.5533 -189.301 -10.0103 106.913 -70.8803 -221.888 4.99177 172.406 PRESSAVG: 1482000 38.0744 -55.4241 -47.8179 -55.4241 -64.0272 45.1387 -47.8179 45.1386 -17.0804 GPRESSAVG: 1482000 37.4539 -56.8529 -46.5663 -52.4488 -63.2157 47.5402 -49.7855 45.3194 -17.3749 TIMING: 1482000 CPU: 4684.93, 0.0031528/step Wall: 4684.93, 0.0031528/step, 3.08098 hours remaining, 233.390625 MB of memory 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 3882.7404 20511.3859 14586.4998 271.5939 -203738.6805 2896.2348 0.0000 0.0000 52000.7289 -109589.4968 298.8489 -161590.2257 -109226.4321 298.2076 89.7884 115.3883 762137.5643 -14.3444 -14.3789 PRESSURE: 1482200 -92.6949 -190.109 15.4032 -190.109 -59.4333 3.48232 15.4032 3.48177 -40.6801 GPRESSURE: 1482200 -117.262 -69.8145 38.3695 -164.385 97.5934 96.6321 5.36569 -77.903 -90.8291 PRESSAVG: 1482200 1.66079 -55.4419 -18.5567 -55.4419 11.4923 -8.74007 -18.5567 -8.74014 17.8652 GPRESSAVG: 1482200 1.33729 -52.9108 -18.9458 -58.5292 11.8388 -10.1226 -16.3928 -9.9952 17.7463 TIMING: 1482200 CPU: 4685.56, 0.0031521/step Wall: 4685.56, 0.0031521/step, 3.08013 hours remaining, 233.390625 MB of memory in use. ENERGY: 1482200 3966.5899 20446.5056 14622.2273 241.5182 -203308.3336 2584.0856 0.0000 0.0000 51795.7885 -109651.6185 297.6711 -161447.4070 -109298.8662 298.8295 -64.2694 -36.8326 762003.1379 10.3394 10.3075 PRESSURE: 1482400 114.456 -98.7728 -225.357 -98.7724 22.145 160.806 -225.357 160.806 -138.379 GPRESSURE: 1482400 100.039 -41.5884 -174.172 -186.141 89.8955 147.686 -259.916 165.506 -104.024 PRESSAVG: 1482400 5.43993 8.3333 15.0478 8.33331 -4.04814 -3.08166 15.0478 -3.08166 1.89423 GPRESSAVG: 1482400 4.12068 5.09109 13.9177 10.903 -4.7335 -3.38652 13.8867 -2.47455 3.16447 TIMING: 1482400 CPU: 4686.19, 0.00316734/step Wall: 4686.19, 0.00316734/step, 3.09485 hours remaining, 233.390625 MB of memory in use. ENERGY: 1482400 3991.4027 20442.3435 14555.6674 237.6729 -203517.6376 2693.8092 0.0000 0.0000 51800.5728 -109796.1690 297.6986 -161596.7418 -109437.9395 298.1560 -0.5925 28.6370 761325.7672 1.0953 0.8506 PRESSURE: 1482600 -67.762 -34.2029 -23.3403 -34.2033 -88.7234 238.945 -23.3402 238.944 -214.169 GPRESSURE: 1482600 11.3477 63.4728 12.0021 10.8929 -81.4108 345.435 -80.859 184.664 -209.085 PRESSAVG: 1482600 12.5645 -38.6437 -12.147 -38.6438 -0.294561 -45.6312 -12.147 -45.6312 5.27851 GPRESSAVG: 1482600 13.9436 -37.0185 -9.35503 -39.4494 -1.98427 -45.9349 -12.1717 -44.8125 5.78436 TIMING: 1482600 CPU: 4686.82, 0.00315132/step Wall: 4686.82, 0.00315132/step, 3.07902 hours remaining, 233.390625 MB of memory in use. ENERGY: 1482600 3981.0491 20392.4322 14486.7075 254.7755 -203314.9997 2624.8428 0.0000 0.0000 51983.1234 -109592.0691 298.7477 -161575.1926 -109247.0465 298.0917 -123.5515 -93.0495 760691.2029 5.8495 5.9146 PRESSURE: 1482800 118.777 -52.9577 -129.221 -52.9585 209.953 -333.995 -129.222 -333.994 66.3809 GPRESSURE: 1482800 199.171 17.2986 -88.1173 -16.3651 231.45 -381.522 -140.289 -200.047 46.7977 PRESSAVG: 1482800 -41.1331 7.15908 -38.024 7.15916 36.0853 42.6139 -38.024 42.6138 -14.3281 GPRESSAVG: 1482800 -40.3351 6.6442 -40.914 8.67594 37.3437 42.635 -38.4572 39.8177 -15.9571 TIMING: 1482800 CPU: 4687.45, 0.00314267/step Wall: 4687.45, 0.00314267/step, 3.07038 hours remaining, 233.390625 MB of memory in use. ENERGY: 1482800 3923.1688 20454.6291 14449.4800 259.0755 -203227.7698 2369.7584 0.0000 0.0000 52156.0707 -109615.5874 299.7417 -161771.6581 -109250.9101 298.7361 131.7036 159.1397 762663.7588 -6.4586 -6.3162 PRESSURE: 1483000 -96.1305 -46.5608 -97.497 -46.561 -168.68 -43.3053 -97.4965 -43.3049 141.003 GPRESSURE: 1483000 -40.3722 -36.9112 -157.084 -75.2357 -157.254 -60.827 -135.796 -123.71 147.962 PRESSAVG: 1483000 18.5425 -13.8852 -2.5013 -13.8852 3.62847 -8.5508 -2.50131 -8.55084 0.379425 GPRESSAVG: 1483000 18.5873 -12.9383 -1.24789 -16.4169 3.07441 -7.58499 -1.85683 -7.31848 1.01999 TIMING: 1483000 CPU: 4688.08, 0.00315004/step Wall: 4688.08, 0.00315004/step, 3.07742 hours remaining, 233.390625 MB of memory in use. ENERGY: 1483000 4037.4422 20533.6385 14529.9998 223.3893 -203908.5556 2944.6004 0.0000 0.0000 52020.1419 -109619.3436 298.9605 -161639.4854 -109258.5692 298.7269 -41.2691 -16.5549 761513.7625 7.5168 7.5606 PRESSURE: 1483200 -197.552 -63.4859 -110.303 -63.4863 -16.2084 54.86 -110.303 54.86 -148.97 GPRESSURE: 1483200 -221.591 -41.6176 -99.8802 -112.389 20.1826 110.437 86.5654 15.1097 -74.453 PRESSAVG: 1483200 -48.9833 -55.9273 -8.52383 -55.9273 2.64917 -12.9967 -8.52386 -12.9966 7.25413 GPRESSAVG: 1483200 -49.3059 -56.1822 -10.6213 -55.237 2.78218 -13.912 -7.00222 -12.0739 7.40328 TIMING: 1483200 CPU: 4688.71, 0.00314971/step Wall: 4688.71, 0.00314971/step, 3.07692 hours remaining, 233.390625 MB of memory in use. ENERGY: 1483200 3997.0514 20429.3971 14497.5072 235.2769 -203251.0124 2600.6088 0.0000 0.0000 51849.1533 -109642.0177 297.9778 -161491.1710 -109289.5305 298.3666 -120.9104 -91.9537 762923.5163 -13.0267 -13.0402 PRESSURE: 1483400 -115.174 -99.7788 46.7616 -99.7795 229.673 79.247 46.7618 79.2468 386.439 GPRESSURE: 1483400 -93.3776 -131.445 118.299 -66.2825 276.239 24.9704 7.87099 211.809 398.369 PRESSAVG: 1483400 -19.0784 -72.9589 33.0043 -72.959 12.1076 -59.25 33.0043 -59.25 9.26019 GPRESSAVG: 1483400 -19.8018 -72.9493 35.0798 -71.9549 12.8983 -60.4703 32.7405 -58.6954 9.11315 TIMING: 1483400 CPU: 4689.34, 0.00314394/step Wall: 4689.34, 0.00314394/step, 3.07111 hours remaining, 233.390625 MB of memory in use. ENERGY: 1483400 4008.6709 20578.2993 14512.3179 252.9651 -203652.4407 2799.3758 0.0000 0.0000 51885.1047 -109615.7069 298.1844 -161500.8116 -109254.6237 298.4112 166.9792 193.7434 761845.9105 0.7631 0.7365 PRESSURE: 1483600 85.7096 -146.251 -40.9778 -146.249 -310.353 -87.3623 -40.9773 -87.3616 -61.365 GPRESSURE: 1483600 143.574 -92.1703 78.1606 -97.734 -241.835 -167.67 -178.494 4.44521 -96.6669 PRESSAVG: 1483600 -29.5322 -21.772 2.93678 -21.772 18.0996 -16.717 2.93674 -16.7171 -9.16891 GPRESSAVG: 1483600 -28.2254 -23.6125 2.99015 -19.906 15.9778 -14.5683 1.64082 -16.9089 -8.65146 TIMING: 1483600 CPU: 4689.97, 0.00315021/step Wall: 4689.97, 0.00315021/step, 3.07706 hours remaining, 233.390625 MB of memory in use. ENERGY: 1483600 4033.5826 20346.5349 14610.4918 259.0725 -203625.8421 2762.1481 0.0000 0.0000 51958.1242 -109655.8881 298.6041 -161614.0123 -109291.3713 298.7563 -95.3361 -64.9761 763813.6850 -6.8672 -6.9664 PRESSURE: 1483800 229.336 248.887 -27.8514 248.887 -135.083 -134.226 -27.852 -134.226 49.7037 GPRESSURE: 1483800 176.555 165.153 11.3848 310.971 -12.5937 -124.445 29.375 -31.0568 52.933 PRESSAVG: 1483800 21.7205 -73.6635 -76.3608 -73.6635 -31.8263 22.3148 -76.3607 22.3148 34.0295 GPRESSAVG: 1483800 20.365 -72.0817 -76.6121 -74.9829 -29.8865 19.408 -76.6695 22.6797 33.1457 TIMING: 1483800 CPU: 4690.6, 0.00314607/step Wall: 4690.6, 0.00314607/step, 3.07284 hours remaining, 233.390625 MB of memory in use. ENERGY: 1483800 3935.4305 20588.0212 14560.5830 248.7483 -203245.9383 2525.8729 0.0000 0.0000 51895.2973 -109491.9851 298.2430 -161387.2825 -109132.9277 298.4834 47.9855 72.2980 763339.6245 7.9746 7.8747 PRESSURE: 1484000 -68.3451 94.0269 46.6844 94.0264 -173.112 185.175 46.6846 185.175 94.2595 GPRESSURE: 1484000 -23.7245 151.877 -31.0049 20.854 -107.366 175.258 84.6346 229.746 63.0989 PRESSAVG: 1484000 60.0472 -58.6858 32.679 -58.6858 -54.2029 6.18261 32.679 6.18267 -5.78101 GPRESSAVG: 1484000 61.7035 -58.5785 31.1841 -61.5301 -56.4243 7.61457 34.5909 4.37372 -4.9356 TIMING: 1484000 CPU: 4691.23, 0.00315718/step Wall: 4691.23, 0.00315718/step, 3.08351 hours remaining, 233.390625 MB of memory 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 3962.3654 20483.8986 14671.1685 249.4660 -203799.0041 2862.7560 0.0000 0.0000 52041.5134 -109527.8362 299.0833 -161569.3496 -109171.8082 298.7113 -49.0658 -22.6639 763337.9611 0.0211 0.1146 PRESSURE: 1484200 -283.844 -132.86 -90.3628 -132.86 -224.244 -81.4457 -90.363 -81.4469 90.0935 GPRESSURE: 1484200 -209.204 -67.0281 -147.789 -105.859 -202.174 -10.2982 -66.6095 -12.7378 97.8537 PRESSAVG: 1484200 11.4856 -2.25193 60.3571 -2.25195 34.618 -23.5263 60.357 -23.5263 -11.3514 GPRESSAVG: 1484200 11.3829 0.187661 61.5794 -1.19673 34.3389 -20.7785 58.4967 -24.1766 -11.7718 TIMING: 1484200 CPU: 4691.86, 0.00317212/step Wall: 4691.86, 0.00317212/step, 3.09793 hours remaining, 233.390625 MB of memory in use. ENERGY: 1484200 3991.4588 20297.3598 14596.5565 251.2777 -203532.4003 2620.0283 0.0000 0.0000 52291.6540 -109484.0652 300.5209 -161775.7192 -109105.4548 298.8172 -139.3315 -104.5080 761861.2694 11.5840 11.3166 LDB: ============= START OF LOAD BALANCING ============== 4704.4 LDB: ============== END OF LOAD BALANCING =============== 4704.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4704.4 LDB: ============= START OF LOAD BALANCING ============== 4704.72 LDB: Largest compute 7037 load 0.031915 is 16.3% of average load 0.195492 LDB: Average compute 0.004392 is 2.2% of average load 0.195492 LDB: TIME 4704.72 LOAD: AVG 0.195492 MAX 0.21654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 232.676 MB LDB: TIME 4704.72 LOAD: AVG 0.195492 MAX 0.21654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: TIME 4704.72 LOAD: AVG 0.195492 MAX 0.21654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 232.676 MB LDB: ============== END OF LOAD BALANCING =============== 4704.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4704.73 PRESSURE: 1484400 -45.8048 28.4996 71.4706 28.5009 138.851 -0.772612 71.4703 -0.77271 5.88013 GPRESSURE: 1484400 -7.75765 13.3545 96.5327 17.6105 147.166 -37.17 97.4369 -26.0675 40.4569 PRESSAVG: 1484400 -37.0428 5.35957 -27.8348 5.3595 7.5477 -40.7146 -27.8347 -40.7146 29.5709 GPRESSAVG: 1484400 -36.8288 4.61881 -28.0819 5.38336 7.60689 -42.8083 -26.2191 -39.2548 29.3462 TIMING: 1484400 CPU: 4692.51, 0.00324504/step Wall: 4692.51, 0.00324504/step, 3.16896 hours remaining, 233.390625 MB of memory in use. ENERGY: 1484400 4007.5035 20529.9135 14539.9789 249.9057 -203556.7890 2804.5435 0.0000 0.0000 52039.5555 -109385.3883 299.0720 -161424.9438 -109033.0079 298.5743 32.9756 59.9549 763032.9321 0.0253 0.0414 PRESSURE: 1484600 -64.8482 -34.6887 59.6076 -34.689 234.235 87.3554 59.6074 87.3554 -299.824 GPRESSURE: 1484600 -37.2736 -71.6538 32.873 -139.39 255.661 37.3626 75.0117 133.735 -287.429 PRESSAVG: 1484600 -5.0993 -25.8614 13.3823 -25.8614 19.1333 -66.0708 13.3823 -66.0709 -11.0427 GPRESSAVG: 1484600 -6.92138 -27.7975 15.3642 -24.2593 20.5448 -67.8065 11.6837 -65.7326 -10.6223 TIMING: 1484600 CPU: 4693.14, 0.0031596/step Wall: 4693.14, 0.0031596/step, 3.08535 hours remaining, 233.796875 MB of memory in use. ENERGY: 1484600 3943.1958 20450.5476 14573.0711 238.2154 -203455.1413 2827.0343 0.0000 0.0000 52068.4734 -109354.6036 299.2382 -161423.0770 -108985.0705 299.6046 -43.4788 -23.0141 763892.8649 0.9971 1.0004 PRESSURE: 1484800 555.662 84.5327 120.533 84.5323 406.464 -122.14 120.534 -122.142 277.835 GPRESSURE: 1484800 570.724 -6.46662 142.724 16.8209 391.96 31.9093 100.157 -107.829 349.902 PRESSAVG: 1484800 -59.0637 -11.2273 29.0144 -11.2273 -1.53775 -69.6268 29.0144 -69.6269 22.4715 GPRESSAVG: 1484800 -57.889 -11.093 28.674 -12.0736 -2.61655 -66.9773 29.3848 -69.7291 22.4465 TIMING: 1484800 CPU: 4693.78, 0.00316555/step Wall: 4693.78, 0.00316555/step, 3.09099 hours remaining, 233.796875 MB of memory in use. ENERGY: 1484800 3899.2005 20599.0317 14613.2085 239.0492 -203729.9543 3027.4351 0.0000 0.0000 52124.6297 -109227.3996 299.5610 -161352.0292 -108878.4996 298.9428 413.3205 437.5286 762320.7948 -12.7100 -12.6864 PRESSURE: 1485000 121.034 -23.249 -26.9409 -23.2503 28.0497 -143.972 -26.9417 -143.972 175.219 GPRESSURE: 1485000 183.981 -10.7018 60.5201 -36.0486 46.341 -220.903 -61.9763 -168.275 170.185 PRESSAVG: 1485000 51.9644 -34.3213 51.5926 -34.3214 -57.1221 -23.0143 51.5925 -23.0144 22.301 GPRESSAVG: 1485000 52.4083 -33.2279 49.399 -35.0604 -57.0336 -25.679 50.739 -23.6607 21.7027 TIMING: 1485000 CPU: 4694.41, 0.00317145/step Wall: 4694.41, 0.00317145/step, 3.09656 hours remaining, 233.785156 MB of memory in use. ENERGY: 1485000 3947.7037 20563.0785 14556.6227 257.6573 -203204.5332 2726.8356 0.0000 0.0000 52034.6637 -109117.9716 299.0439 -161152.6354 -108750.4615 299.5618 108.1011 133.5023 763256.1806 5.7144 5.6925 PRESSURE: 1485200 269.842 -12.5576 20.0587 -12.5579 -68.1108 7.29166 20.0589 7.2913 148.03 GPRESSURE: 1485200 238.237 -18.9491 -45.818 -92.1054 23.8275 5.73537 235.636 105.225 188.184 PRESSAVG: 1485200 2.31519 -37.0117 28.6349 -37.0117 14.1656 10.0748 28.6349 10.0748 8.44297 GPRESSAVG: 1485200 -0.136372 -38.5491 28.5135 -37.2228 15.8868 11.5763 30.8914 11.7015 8.82128 TIMING: 1485200 CPU: 4695.04, 0.00314679/step Wall: 4695.04, 0.00314679/step, 3.07231 hours remaining, 233.785156 MB of memory in use. ENERGY: 1485200 3918.1132 20558.0331 14663.6962 238.6592 -203457.8131 2771.7895 0.0000 0.0000 52236.9240 -109070.5977 300.2063 -161307.5217 -108710.4706 299.7536 116.5871 150.0827 762457.7990 8.3079 8.1906 PRESSURE: 1485400 -432.165 -109.479 60.3417 -109.479 -445.843 -47.2282 60.3419 -47.2274 -48.3799 GPRESSURE: 1485400 -296.873 -154.79 12.4591 -30.6127 -458.31 -103.438 37.8092 -155.258 -99.3001 PRESSAVG: 1485400 27.8248 -40.1975 48.2176 -40.1974 -67.5389 -56.4928 48.2176 -56.4929 9.95698 GPRESSAVG: 1485400 29.9872 -38.601 49.6603 -41.2837 -69.6169 -58.4757 48.1874 -57.8791 9.41585 TIMING: 1485400 CPU: 4695.67, 0.00316603/step Wall: 4695.67, 0.00316603/step, 3.09093 hours remaining, 233.785156 MB of memory in use. ENERGY: 1485400 4006.6253 20497.7491 14605.8713 239.0639 -202799.7300 2287.3992 0.0000 0.0000 52281.9275 -108881.0936 300.4650 -161163.0212 -108512.8149 299.9093 -308.7961 -284.8277 764440.4026 -9.9190 -10.0713 PRESSURE: 1485600 -17.0656 -110.422 -114.02 -110.421 -98.0234 105.93 -114.02 105.928 -26.8051 GPRESSURE: 1485600 85.8017 -35.9043 -25.7423 -143.146 -98.834 28.7429 -201.719 17.7039 -61.435 PRESSAVG: 1485600 80.3295 -69.4618 -3.77798 -69.4618 -36.1204 -8.24366 -3.77801 -8.24372 10.1643 GPRESSAVG: 1485600 80.3843 -69.818 -4.36085 -66.5815 -36.9393 -6.65635 -4.44358 -8.63249 10.3798 TIMING: 1485600 CPU: 4696.31, 0.00315674/step Wall: 4696.31, 0.00315674/step, 3.08168 hours remaining, 233.785156 MB of memory in use. ENERGY: 1485600 3968.8301 20553.0445 14543.0036 249.5612 -203400.1221 2816.2921 0.0000 0.0000 52212.9861 -109056.4045 300.0687 -161269.3905 -108696.5689 299.7627 -47.2980 -24.8224 763054.2913 18.1244 17.9416 PRESSURE: 1485800 -71.5219 55.7897 -19.0758 55.7903 69.9623 -108.442 -19.0754 -108.442 -100.819 GPRESSURE: 1485800 -46.1669 -28.7651 46.1382 13.828 47.5238 -93.8764 -100.941 62.4427 -32.6322 PRESSAVG: 1485800 16.0654 -22.861 18.5112 -22.861 -11.8786 1.44718 18.5112 1.44724 9.69823 GPRESSAVG: 1485800 13.8796 -22.7806 19.5807 -26.4532 -9.87998 1.05604 17.6253 1.66918 9.73959 TIMING: 1485800 CPU: 4696.94, 0.00316765/step Wall: 4696.94, 0.00316765/step, 3.09216 hours remaining, 233.796875 MB of memory in use. ENERGY: 1485800 3962.7615 20447.6472 14622.4892 221.5230 -203016.1218 2681.8103 0.0000 0.0000 51959.6540 -109120.2365 298.6128 -161079.8906 -108761.6652 300.2433 -34.1261 -10.4251 763742.9641 4.6283 4.5797 PRESSURE: 1486000 -145.463 93.8298 22.274 93.8295 -189.634 -448.955 22.2742 -448.956 177.225 GPRESSURE: 1486000 -78.7114 134.45 24.813 118.489 -150.343 -462.855 0.801298 -249.047 137.279 PRESSAVG: 1486000 15.9527 -24.0868 -3.79571 -24.0868 -2.55964 -49.3392 -3.7958 -49.3392 3.54891 GPRESSAVG: 1486000 18.1142 -24.0462 -4.04353 -25.0373 -4.69205 -48.5003 -2.5912 -47.5306 3.83784 TIMING: 1486000 CPU: 4697.57, 0.00316214/step Wall: 4697.57, 0.00316214/step, 3.0866 hours remaining, 233.796875 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: 1486000 3961.1924 20564.0663 14604.5730 254.5922 -203258.2484 2693.3099 0.0000 0.0000 52122.9057 -109057.6089 299.5511 -161180.5146 -108691.4901 299.5958 -52.6239 -30.5915 763786.6899 5.6473 5.7533 PRESSURE: 1486200 163.448 -201.52 -27.6181 -201.521 -259.673 355.977 -27.6186 355.976 -105.156 GPRESSURE: 1486200 107.063 -98.6022 -97.7656 -132.886 -159.629 229.733 -22.4202 404.046 -76.2111 PRESSAVG: 1486200 54.2698 -49.1112 -35.2672 -49.1112 -5.52091 -17.3613 -35.2672 -17.3613 39.669 GPRESSAVG: 1486200 52.1723 -48.5257 -34.0342 -45.5855 -2.66193 -17.8931 -35.126 -18.043 38.6133 TIMING: 1486200 CPU: 4698.2, 0.00315156/step Wall: 4698.2, 0.00315156/step, 3.0761 hours remaining, 233.796875 MB of memory in use. ENERGY: 1486200 3969.8031 20503.5039 14511.9245 225.9123 -202840.9701 2566.9431 0.0000 0.0000 51818.6958 -109244.1875 297.8028 -161062.8833 -108884.0627 299.6065 -67.1271 -42.9257 764573.7768 29.4726 29.3746 PRESSURE: 1486400 -274.749 128.953 -82.1948 128.954 78.3598 99.7886 -82.1938 99.789 146.647 GPRESSURE: 1486400 -209.621 56.1954 -120.993 23.9062 9.1677 136.266 -77.2697 74.5575 244.378 PRESSAVG: 1486400 -4.56172 -33.366 15.6731 -33.366 38.4003 5.77551 15.6731 5.77547 -1.71648 GPRESSAVG: 1486400 -3.18394 -35.0333 12.6049 -34.3175 35.916 6.84953 17.7842 4.65829 -0.598668 TIMING: 1486400 CPU: 4698.83, 0.0031583/step Wall: 4698.83, 0.0031583/step, 3.0825 hours remaining, 233.796875 MB of memory in use. ENERGY: 1486400 3911.8007 20545.6749 14549.1365 241.2517 -203079.6287 2599.2794 0.0000 0.0000 52158.5209 -109073.9646 299.7557 -161232.4855 -108705.6721 299.2466 -16.5807 14.6418 765035.8389 10.7074 10.7111 PRESSURE: 1486600 -167.955 -133.181 -0.10446 -133.182 37.5589 288.152 -0.105373 288.152 177.363 GPRESSURE: 1486600 -144.934 -39.4279 105.089 -141.212 125.271 241.363 121.39 195.192 164.436 PRESSAVG: 1486600 22.1283 -44.899 -11.5153 -44.8989 -35.8372 13.1625 -11.5152 13.1625 10.0192 GPRESSAVG: 1486600 20.8623 -43.2519 -10.4458 -44.3034 -33.4651 13.3611 -11.8251 13.1621 8.86599 TIMING: 1486600 CPU: 4699.46, 0.00315037/step Wall: 4699.46, 0.00315037/step, 3.07459 hours remaining, 233.796875 MB of memory in use. ENERGY: 1486600 4012.6119 20533.3863 14566.9066 264.7218 -203029.3616 2503.9233 0.0000 0.0000 52159.6950 -108988.1166 299.7625 -161147.8116 -108631.6052 300.1506 15.6556 48.2579 763000.5920 -1.2299 -1.2456 PRESSURE: 1486800 -157.092 266.566 137.367 266.566 -72.0748 -114.507 137.367 -114.509 252.353 GPRESSURE: 1486800 -88.1637 168.458 70.6731 244.295 -14.671 -72.1731 54.8021 -143.937 230.788 PRESSAVG: 1486800 35.1203 -21.1841 23.1927 -21.1841 -44.1669 22.4034 23.1927 22.4034 6.80384 GPRESSAVG: 1486800 35.042 -24.2291 24.258 -18.4379 -44.7283 21.5212 20.3204 21.5007 7.06453 TIMING: 1486800 CPU: 4700.09, 0.00315071/step Wall: 4700.09, 0.00315071/step, 3.07474 hours remaining, 233.796875 MB of memory in use. ENERGY: 1486800 3974.5754 20491.0909 14532.5379 219.0478 -202630.4650 2451.5143 0.0000 0.0000 52009.0322 -108952.6665 298.8966 -160961.6987 -108595.6564 299.2703 7.7290 42.6511 763182.9134 -0.7476 -0.8739 PRESSURE: 1487000 -213.966 8.98158 -79.8789 8.98227 335.908 -178.401 -79.8786 -178.401 -47.0597 GPRESSURE: 1487000 -172.49 -76.0016 -68.6012 88.8898 338.243 -112.084 -234.563 -65.057 5.51058 PRESSAVG: 1487000 -58.2402 -58.5778 -1.1256 -58.5778 58.5748 -31.5827 -1.12557 -31.5827 -12.8636 GPRESSAVG: 1487000 -58.064 -54.7149 -1.99038 -62.3 58.2515 -30.8677 -0.52946 -29.9776 -12.2444 TIMING: 1487000 CPU: 4700.73, 0.00317345/step Wall: 4700.73, 0.00317345/step, 3.09675 hours remaining, 233.796875 MB of memory in use. ENERGY: 1487000 3872.5281 20524.8707 14544.9999 263.1427 -203192.4628 2535.7186 0.0000 0.0000 52342.6816 -109108.5212 300.8141 -161451.2028 -108749.0948 299.3231 24.9607 57.0878 762234.8725 -4.1763 -4.0190 PRESSURE: 1487200 201.408 72.817 -76.2487 72.8174 18.6094 49.5009 -76.2487 49.5007 264.053 GPRESSURE: 1487200 153.862 63.8983 -174.879 52.7641 104.336 71.9332 -201.048 -37.416 321.262 PRESSAVG: 1487200 -21.327 -6.67672 -32.5116 -6.6767 51.3865 2.13792 -32.5116 2.13798 8.66102 GPRESSAVG: 1487200 -22.3244 -6.60844 -31.752 -7.67083 53.1565 1.60311 -30.6866 2.45561 7.6335 TIMING: 1487200 CPU: 4701.36, 0.00316205/step Wall: 4701.36, 0.00316205/step, 3.08546 hours remaining, 233.796875 MB of memory in use. ENERGY: 1487200 3928.5091 20543.0468 14475.8584 228.9057 -203303.3183 2798.8815 0.0000 0.0000 52081.8252 -109246.2916 299.3150 -161328.1168 -108881.5040 299.4816 161.3566 193.1533 761288.9997 12.9068 12.8219 PRESSURE: 1487400 20.3094 -121.539 180.908 -121.538 -158.028 94.3038 180.909 94.3029 -16.6831 GPRESSURE: 1487400 46.0554 -33.481 133.817 -227.128 -65.1385 116.023 136.903 202.126 -30.2512 PRESSAVG: 1487400 -74.7316 -37.9928 -15.008 -37.9928 42.0444 31.6435 -15.008 31.6435 -16.256 GPRESSAVG: 1487400 -74.2553 -39.4149 -15.8072 -37.8732 41.5946 32.212 -16.2407 28.8174 -16.2056 TIMING: 1487400 CPU: 4701.99, 0.00316501/step Wall: 4701.99, 0.00316501/step, 3.08817 hours remaining, 233.796875 MB of memory in use. ENERGY: 1487400 3981.4658 20467.4931 14603.7517 234.6035 -202827.1415 2248.9071 0.0000 0.0000 52200.4869 -109090.4335 299.9969 -161290.9204 -108731.8245 299.3576 -51.4673 -16.4448 763509.4854 -16.3144 -16.2888 PRESSURE: 1487600 288.568 -29.4638 66.7038 -29.4645 121.498 -20.302 66.7048 -20.3013 410.263 GPRESSURE: 1487600 325.477 -86.1626 240.423 -80.9568 149.988 64.7504 146.941 44.9265 413.932 PRESSAVG: 1487600 -14.1489 -26.5919 -24.1618 -26.5919 13.6176 22.1045 -24.1617 22.1045 22.4679 GPRESSAVG: 1487600 -13.631 -25.7962 -24.8352 -24.2328 11.881 22.042 -23.6799 23.9691 23.3659 TIMING: 1487600 CPU: 4702.63, 0.00316341/step Wall: 4702.63, 0.00316341/step, 3.08643 hours remaining, 233.796875 MB of memory in use. ENERGY: 1487600 3969.1861 20362.3536 14526.3857 237.2043 -203423.7836 2847.9909 0.0000 0.0000 52465.5729 -109015.0901 301.5204 -161480.6630 -108652.5713 299.4721 273.4431 296.4655 763503.3235 7.3122 7.2053 PRESSURE: 1487800 -283.404 135.214 -15.0732 135.214 -137.949 15.3468 -15.0729 15.3469 -106.651 GPRESSURE: 1487800 -248.419 64.212 -43.7781 7.33072 -79.4695 -62.0269 -32.3852 -8.61334 -114.096 PRESSAVG: 1487800 -22.7981 -16.1555 17.5427 -16.1555 -3.37798 -12.015 17.5425 -12.015 25.4619 GPRESSAVG: 1487800 -23.3752 -19.1535 18.0608 -16.9809 -2.7562 -14.0068 18.642 -11.3682 25.5403 TIMING: 1487800 CPU: 4703.26, 0.00315238/step Wall: 4703.26, 0.00315238/step, 3.0755 hours remaining, 233.796875 MB of memory in use. ENERGY: 1487800 4098.3838 20656.4733 14536.3960 239.8986 -203608.4537 2965.4258 0.0000 0.0000 52043.2070 -109068.6693 299.0930 -161111.8762 -108719.6874 299.6107 -176.0017 -147.3282 763296.9383 -0.2381 -0.1970 PRESSURE: 1488000 -234.547 104.811 -47.8111 104.811 199.032 93.9327 -47.8098 93.9329 141.73 GPRESSURE: 1488000 -163.705 -28.3769 -163.554 -42.6661 176.053 109.987 -40.1133 75.8582 182.606 PRESSAVG: 1488000 -35.9074 7.75504 -22.0989 7.75498 52.9394 -34.0324 -22.0989 -34.0324 12.9249 GPRESSAVG: 1488000 -34.4087 9.26271 -21.5469 7.4682 52.4502 -33.7679 -25.7919 -33.992 12.3174 TIMING: 1488000 CPU: 4703.89, 0.00316276/step Wall: 4703.89, 0.00316276/step, 3.08545 hours remaining, 233.796875 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: 1488000 4044.1391 20309.3313 14568.0336 244.3921 -203561.1461 2900.1492 0.0000 0.0000 52317.4168 -109177.6840 300.6689 -161495.1009 -108810.6415 299.7024 35.4052 64.9845 762269.5349 9.9856 10.1197 PRESSURE: 1488200 23.1473 -89.3526 -48.5659 -89.3527 -97.0965 -38.9615 -48.5663 -38.9622 -218.329 GPRESSURE: 1488200 20.3684 -30.957 -81.2861 -90.0076 -77.9894 -131.144 -78.8686 -22.5679 -140.942 PRESSAVG: 1488200 -28.2045 0.952738 -6.20548 0.952788 0.959045 -33.984 -6.20542 -33.984 14.2275 GPRESSAVG: 1488200 -29.8375 0.367237 -6.03641 0.934335 1.44581 -33.8068 -5.96641 -35.2301 15.0082 TIMING: 1488200 CPU: 4704.53, 0.00318071/step Wall: 4704.53, 0.0031807/step, 3.10278 hours remaining, 233.796875 MB of memory in use. ENERGY: 1488200 3997.7561 20563.6198 14542.5894 256.6691 -203102.7877 2458.8706 0.0000 0.0000 51977.8603 -109305.4225 298.7175 -161283.2828 -108953.8883 299.0484 -97.4260 -66.1877 763243.4283 -4.3393 -4.4612 LDB: ============= START OF LOAD BALANCING ============== 4717.06 LDB: ============== END OF LOAD BALANCING =============== 4717.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4717.06 LDB: ============= START OF LOAD BALANCING ============== 4717.38 LDB: Largest compute 7037 load 0.033761 is 17.3% of average load 0.195516 LDB: Average compute 0.004404 is 2.3% of average load 0.195516 LDB: TIME 4717.38 LOAD: AVG 0.195516 MAX 0.218993 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 4717.38 LOAD: AVG 0.195516 MAX 0.218993 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 4717.38 LOAD: AVG 0.195516 MAX 0.216209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 4717.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4717.39 PRESSURE: 1488400 -186.77 167.256 -90.4213 167.256 -349.083 -132.204 -90.4219 -132.204 -389.729 GPRESSURE: 1488400 -180.206 -47.0876 -134.353 150.19 -248.214 -138.081 -4.13828 -163.434 -411.157 PRESSAVG: 1488400 -30.1459 -16.4979 33.2965 -16.498 28.7013 -19.2692 33.2965 -19.2692 20.4723 GPRESSAVG: 1488400 -29.5059 -15.0993 32.6046 -17.3793 28.5447 -19.6914 33.0781 -18.1448 20.1939 TIMING: 1488400 CPU: 4705.17, 0.00323495/step Wall: 4705.17, 0.00323495/step, 3.15552 hours remaining, 232.933594 MB of memory in use. ENERGY: 1488400 4041.7248 20451.4699 14439.9899 247.7621 -203013.5130 2372.7075 0.0000 0.0000 52109.5763 -109350.2825 299.4745 -161459.8588 -108989.9653 298.8952 -308.5276 -279.8590 762605.3045 6.3426 6.4109 PRESSURE: 1488600 141.435 192.698 82.782 192.698 309.567 15.6765 82.782 15.6767 69.5731 GPRESSURE: 1488600 172.662 182.826 14.9597 185.219 303.548 -8.54328 2.61689 20.7097 110.021 PRESSAVG: 1488600 -12.9201 37.4509 -35.7292 37.4508 66.1095 -50.2203 -35.7292 -50.2203 -23.984 GPRESSAVG: 1488600 -12.7656 35.9144 -37.3116 38.3985 65.4162 -49.0381 -35.3731 -53.2631 -23.5269 TIMING: 1488600 CPU: 4705.81, 0.00319002/step Wall: 4705.81, 0.00319002/step, 3.11151 hours remaining, 233.191406 MB of memory in use. ENERGY: 1488600 3931.1131 20427.0381 14600.1853 247.1876 -203711.4349 3060.1594 0.0000 0.0000 52201.0089 -109244.7424 299.9999 -161445.7513 -108878.3791 299.6831 173.5251 195.4102 762908.3306 9.7351 9.7079 PRESSURE: 1488800 -13.7588 -86.0217 -279.934 -86.0217 -372.528 62.9739 -279.934 62.9739 117.433 GPRESSURE: 1488800 -54.0319 -72.131 -315.078 22.2251 -301.746 140.291 -148.724 -51.1107 179.248 PRESSAVG: 1488800 -0.562846 13.3156 -86.3796 13.3156 -15.3305 -25.3702 -86.3797 -25.3701 1.1566 GPRESSAVG: 1488800 -0.0433691 14.5653 -85.5806 11.6868 -14.5546 -25.029 -84.6521 -23.0927 0.128919 TIMING: 1488800 CPU: 4706.44, 0.00316842/step Wall: 4706.44, 0.00316842/step, 3.09026 hours remaining, 233.191406 MB of memory in use. ENERGY: 1488800 4030.6569 20471.2824 14576.7816 249.1868 -203181.5161 2772.2486 0.0000 0.0000 52035.0420 -109046.3177 299.0461 -161081.3597 -108683.3139 299.7648 -89.6180 -58.8431 764011.5141 -4.9122 -4.8230 PRESSURE: 1489000 153.72 -115.306 -82.84 -115.305 11.3461 -172.44 -82.8398 -172.441 -141.754 GPRESSURE: 1489000 92.3782 -24.7789 -70.228 -124.442 161.609 -153.295 57.1978 -130.949 -114.373 PRESSAVG: 1489000 8.73051 -5.91063 -75.17 -5.91062 21.2528 -21.9574 -75.1699 -21.9574 17.8911 GPRESSAVG: 1489000 7.74569 -6.32214 -76.0201 -4.04801 21.5317 -24.9334 -74.7811 -23.7057 18.5431 TIMING: 1489000 CPU: 4707.08, 0.00317305/step Wall: 4707.08, 0.00317305/step, 3.09461 hours remaining, 233.191406 MB of memory in use. ENERGY: 1489000 3991.3235 20411.2735 14611.5266 241.1659 -203017.9364 2557.1484 0.0000 0.0000 51969.5061 -109235.9922 298.6695 -161205.4984 -108866.9440 299.8831 7.7708 46.5382 763536.8965 15.9581 15.9402 PRESSURE: 1489200 -137.746 -84.7249 97.6419 -84.7249 -171.158 -53.4902 97.6423 -53.4904 -52.14 GPRESSURE: 1489200 -102.459 -72.2174 127.576 -128.268 -171.717 -36.3928 -1.0132 -132.481 -7.03114 PRESSAVG: 1489200 -59.0331 -12.3047 -8.24314 -12.3048 25.4273 -46.7516 -8.2431 -46.7515 -16.623 GPRESSAVG: 1489200 -58.8566 -12.1209 -5.86519 -14.1285 24.6868 -45.0053 -9.37934 -44.4155 -16.2685 TIMING: 1489200 CPU: 4707.72, 0.00318014/step Wall: 4707.72, 0.00318014/step, 3.10134 hours remaining, 233.429688 MB of memory in use. ENERGY: 1489200 3978.2604 20533.0874 14497.0276 234.7128 -202886.4719 2333.6500 0.0000 0.0000 51932.2778 -109377.4559 298.4555 -161309.7337 -109016.5936 298.8691 -120.3480 -93.7358 762657.7607 -16.7429 -16.8128 PRESSURE: 1489400 104.988 -118.73 354.285 -118.73 262.236 123.943 354.285 123.942 534.519 GPRESSURE: 1489400 79.7551 26.6208 287.084 -50.9333 317.244 62.9686 177.56 41.0494 583.918 PRESSAVG: 1489400 16.2103 -43.5238 -3.01355 -43.5238 -9.58487 18.1819 -3.0135 18.182 2.59626 GPRESSAVG: 1489400 17.3715 -44.3675 -5.14981 -41.6374 -10.2583 16.9582 -3.40555 18.1041 2.54331 TIMING: 1489400 CPU: 4708.35, 0.00318254/step Wall: 4708.35, 0.00318254/step, 3.1035 hours remaining, 233.429688 MB of memory in use. ENERGY: 1489400 3873.3934 20513.4422 14519.4871 244.0252 -202959.3012 2560.2003 0.0000 0.0000 52091.8596 -109156.8934 299.3726 -161248.7530 -108793.3000 299.2966 300.5811 326.9724 763016.8224 3.0739 3.2188 PRESSURE: 1489600 -256.326 -199.617 139.222 -199.617 181.532 117.261 139.222 117.26 -166.326 GPRESSURE: 1489600 -143.993 -80.5447 129.564 -190.4 122.616 201.628 245.61 104.562 -125.291 PRESSAVG: 1489600 -17.3974 16.8387 57.38 16.8387 25.5432 27.9667 57.38 27.9667 -18.1008 GPRESSAVG: 1489600 -16.8462 20.0241 59.6037 15.2944 25.3907 29.19 57.5618 28.2097 -17.9079 TIMING: 1489600 CPU: 4708.98, 0.00315379/step Wall: 4708.98, 0.00315379/step, 3.07529 hours remaining, 233.429688 MB of memory in use. ENERGY: 1489600 4075.2821 20570.6027 14504.4864 244.0076 -203377.0442 2751.1218 0.0000 0.0000 52125.9087 -109105.6350 299.5683 -161231.5437 -108750.8206 299.5648 -80.3736 -48.8894 763059.6075 -3.3184 -3.1212 PRESSURE: 1489800 -345.087 -73.2207 70.0648 -73.2216 -579.801 -100.662 70.0653 -100.663 -81.0357 GPRESSURE: 1489800 -290.135 -191.696 -24.9837 -30.6942 -584.745 -29.7708 -33.7409 50.2248 -54.6034 PRESSAVG: 1489800 -33.8369 -41.5592 43.2365 -41.5592 82.7462 23.1428 43.2365 23.1428 3.82258 GPRESSAVG: 1489800 -34.8677 -44.6095 44.0943 -39.1543 83.9735 22.4233 41.3313 24.2501 3.63203 TIMING: 1489800 CPU: 4709.61, 0.00314919/step Wall: 4709.61, 0.00314919/step, 3.07063 hours remaining, 233.429688 MB of memory in use. ENERGY: 1489800 3947.0968 20430.7584 14564.8521 249.1728 -202925.7039 2394.0204 0.0000 0.0000 52315.3780 -109024.4255 300.6572 -161339.8035 -108655.7904 300.4401 -335.3078 -309.8278 763563.7780 17.5773 17.5793 PRESSURE: 1490000 59.6629 -48.9863 9.84043 -48.9862 -18.0487 -145.102 9.83993 -145.102 -67.025 GPRESSURE: 1490000 25.5347 -34.0786 -82.7009 78.8212 35.104 -232.966 -53.3785 -295.228 -22.7607 PRESSAVG: 1490000 50.2586 60.9888 -72.4399 60.9888 -36.7513 -89.6813 -72.4399 -89.6813 -20.5518 GPRESSAVG: 1490000 50.7503 62.3304 -71.3657 58.0989 -38.053 -89.4829 -72.5447 -91.7676 -19.9529 TIMING: 1490000 CPU: 4710.24, 0.00315393/step Wall: 4710.24, 0.00315393/step, 3.07508 hours remaining, 233.429688 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: 1490000 4041.5589 20583.7914 14547.7134 247.7613 -203319.6706 2600.4132 0.0000 0.0000 52028.7377 -109269.6945 299.0099 -161298.4323 -108896.1272 299.8828 -8.4703 12.6260 763119.2022 -2.3481 -2.4185 PRESSURE: 1490200 -93.5955 -32.848 -149.431 -32.849 85.77 -169.603 -149.431 -169.604 -79.8315 GPRESSURE: 1490200 13.6324 -101.742 -80.23 -0.00545983 33.8509 -158.526 -36.6099 -188.813 -68.4424 PRESSAVG: 1490200 46.9843 -0.0236921 -45.7501 -0.0236885 -31.8704 -85.3096 -45.7501 -85.3096 9.82535 GPRESSAVG: 1490200 47.0207 -0.0103222 -47.3616 1.56656 -32.4242 -86.0588 -41.9128 -83.2717 9.71437 TIMING: 1490200 CPU: 4710.87, 0.00315676/step Wall: 4710.87, 0.00315676/step, 3.07767 hours remaining, 233.429688 MB of memory in use. ENERGY: 1490200 3967.5017 20468.9557 14554.4003 248.6778 -203531.3200 2788.7562 0.0000 0.0000 52090.6172 -109412.4111 299.3655 -161503.0284 -109049.8674 299.2683 -29.2190 -6.9864 764526.3597 8.3131 8.1036 PRESSURE: 1490400 -167.212 62.1227 44.8125 62.1239 -123.33 68.6539 44.8108 68.6536 -57.0081 GPRESSURE: 1490400 -93.1349 -1.07202 -44.7382 91.8183 -89.9109 104.678 102.375 7.11002 -65.5923 PRESSAVG: 1490400 -33.3397 9.23271 -13.0899 9.23269 28.9945 -64.7474 -13.0899 -64.7473 25.8758 GPRESSAVG: 1490400 -32.7617 8.21918 -13.6881 8.05314 29.4161 -63.4873 -15.7471 -64.1477 25.017 TIMING: 1490400 CPU: 4711.5, 0.00314911/step Wall: 4711.5, 0.00314911/step, 3.07003 hours remaining, 233.429688 MB of memory in use. ENERGY: 1490400 4014.2208 20730.3057 14512.7284 239.5136 -203039.9086 2490.0123 0.0000 0.0000 51608.7017 -109444.4261 296.5959 -161053.1279 -109092.6768 299.0927 -115.8503 -82.8794 765471.1182 7.1768 7.2238 PRESSURE: 1490600 240.384 -98.8677 22.5969 -98.8686 -52.9887 104.757 22.5961 104.757 -361.581 GPRESSURE: 1490600 236.281 -60.8956 -20.3826 -114.229 -48.4875 158.505 44.4271 141.779 -257.756 PRESSAVG: 1490600 -32.6856 -20.7793 54.8345 -20.7793 34.6498 -55.6553 54.8345 -55.6553 -5.15813 GPRESSAVG: 1490600 -34.6695 -20.9155 55.5521 -18.3948 36.2831 -57.4448 54.496 -56.6745 -4.40792 TIMING: 1490600 CPU: 4712.14, 0.00316487/step Wall: 4712.14, 0.00316487/step, 3.08522 hours remaining, 233.429688 MB of memory in use. ENERGY: 1490600 3948.3373 20511.3969 14510.6973 254.7607 -203067.2912 2696.1864 0.0000 0.0000 52050.0062 -109095.9065 299.1321 -161145.9126 -108727.2674 298.9493 -58.0622 -23.3210 764242.0590 -1.0647 -0.9314 PRESSURE: 1490800 -229.041 15.6956 -2.13354 15.6963 39.1531 -90.7535 -2.13366 -90.7546 -32.3317 GPRESSURE: 1490800 -154.618 -57.3644 0.460615 -63.4866 30.2532 -53.6741 -115.26 -31.2474 -33.8303 PRESSAVG: 1490800 -77.2683 -44.8989 -7.45773 -44.899 67.5702 -88.4345 -7.45771 -88.4346 8.62833 GPRESSAVG: 1490800 -75.2568 -44.6994 -7.14658 -45.9169 65.4895 -86.5333 -6.19749 -88.5098 8.74443 TIMING: 1490800 CPU: 4712.77, 0.00315932/step Wall: 4712.77, 0.00315932/step, 3.07964 hours remaining, 233.429688 MB of memory in use. ENERGY: 1490800 3996.2109 20483.3614 14503.4503 244.8914 -202769.2115 2325.3491 0.0000 0.0000 51904.0353 -109311.9131 298.2932 -161215.9484 -108962.9578 299.1993 -74.0732 -52.7316 764505.5413 -0.3566 -0.3410 PRESSURE: 1491000 59.5492 -38.9096 116.09 -38.9094 51.4738 54.7917 116.09 54.7921 130.917 GPRESSURE: 1491000 -20.4598 -45.6364 75.4123 -44.7258 160.404 -13.1981 138.833 59.7537 176.01 PRESSAVG: 1491000 -4.78067 2.02354 -22.2549 2.02348 0.12234 4.80306 -22.2549 4.80296 15.969 GPRESSAVG: 1491000 -5.22816 2.2079 -22.626 0.638221 1.65939 4.87014 -22.5733 4.84423 14.6499 TIMING: 1491000 CPU: 4713.4, 0.00316082/step Wall: 4713.4, 0.00316082/step, 3.08093 hours remaining, 233.429688 MB of memory in use. ENERGY: 1491000 3966.4140 20631.7846 14550.4653 259.3304 -203904.2048 3112.0202 0.0000 0.0000 52018.2943 -109365.8960 298.9499 -161384.1903 -109011.6055 299.7092 80.6465 105.3179 762901.4846 3.7702 3.6937 PRESSURE: 1491200 89.0765 -68.0969 125.984 -68.0978 -34.7343 -74.8478 125.984 -74.8484 96.141 GPRESSURE: 1491200 156.58 -177.327 122.674 -68.3524 -62.1589 38.3134 32.2334 -146.446 152.38 PRESSAVG: 1491200 -18.1302 -52.3864 -6.23027 -52.3864 22.4078 -33.2838 -6.23025 -33.2838 -1.23887 GPRESSAVG: 1491200 -18.4423 -51.4396 -7.92876 -52.2486 21.8559 -33.2394 -6.17806 -33.7628 0.108 TIMING: 1491200 CPU: 4714.03, 0.00315322/step Wall: 4714.03, 0.00315322/step, 3.07334 hours remaining, 233.429688 MB of memory in use. ENERGY: 1491200 3952.1223 20671.0940 14569.3323 227.7363 -203664.5089 2633.3553 0.0000 0.0000 52251.8548 -109359.0139 300.2921 -161610.8688 -108994.5939 299.5215 50.1611 82.2669 761020.7645 1.0129 1.1739 PRESSURE: 1491400 -445.903 -154.927 101.658 -154.927 140.854 8.67171 101.658 8.6707 262.891 GPRESSURE: 1491400 -317.641 -183.805 225.039 -205.947 154.712 -28.5652 172.424 64.7787 195.418 PRESSAVG: 1491400 -33.9991 -60.2532 25.4372 -60.2533 35.8907 21.4836 25.4372 21.4836 16.8808 GPRESSAVG: 1491400 -34.1336 -60.4746 27.8498 -61.4958 36.0299 19.827 25.086 20.8083 16.5677 TIMING: 1491400 CPU: 4714.66, 0.00314739/step Wall: 4714.66, 0.00314739/step, 3.06748 hours remaining, 233.429688 MB of memory in use. ENERGY: 1491400 3980.6434 20564.3800 14541.0844 259.1103 -203141.3695 2459.5747 0.0000 0.0000 52283.2550 -109053.3217 300.4726 -161336.5768 -108683.0189 299.7786 -14.0525 10.8298 762719.8150 6.2575 6.1546 PRESSURE: 1491600 38.3736 107.674 45.5441 107.674 57.1768 -163.164 45.5441 -163.162 -38.3376 GPRESSURE: 1491600 107.282 117.646 103.911 101.359 93.9535 -82.3457 8.76914 -198.114 -59.1925 PRESSAVG: 1491600 -24.4149 -16.9933 -8.05809 -16.9933 -14.0673 -4.45844 -8.05801 -4.45842 -11.362 GPRESSAVG: 1491600 -25.4304 -16.4546 -9.39823 -14.9148 -13.9756 -4.03856 -7.85465 -3.3624 -10.6731 TIMING: 1491600 CPU: 4715.29, 0.00316064/step Wall: 4715.29, 0.00316064/step, 3.08022 hours remaining, 233.429688 MB of memory in use. ENERGY: 1491600 3962.4997 20493.7926 14515.2719 250.9947 -202864.7736 2548.2259 0.0000 0.0000 52131.8294 -108962.1594 299.6023 -161093.9888 -108599.2427 300.0221 19.0709 47.3475 763622.3213 -16.6147 -16.6930 PRESSURE: 1491800 -248.396 176.718 -96.2695 176.718 -149.363 30.1141 -96.2692 30.1138 -82.2328 GPRESSURE: 1491800 -291.213 98.0062 -59.5181 146.655 -70.8044 110.829 -98.691 -75.2643 -26.8019 PRESSAVG: 1491800 -29.407 4.46182 17.5951 4.46185 62.2832 9.13425 17.5951 9.13435 -1.55663 GPRESSAVG: 1491800 -29.3195 1.74064 19.5942 3.99777 63.2126 8.6757 17.2719 9.88749 -2.77345 TIMING: 1491800 CPU: 4715.92, 0.00313752/step Wall: 4715.92, 0.00313752/step, 3.05752 hours remaining, 233.429688 MB of memory in use. ENERGY: 1491800 3929.2249 20423.8492 14629.6176 236.5782 -202802.9259 2462.8101 0.0000 0.0000 52266.7442 -108854.1018 300.3777 -161120.8460 -108486.0582 300.2074 -159.9972 -129.6063 764350.1158 10.4399 10.3732 PRESSURE: 1492000 100.917 -26.5473 132.766 -26.5472 -46.8402 -1.39254 132.767 -1.39334 233.72 GPRESSURE: 1492000 39.9146 -47.0094 117.888 -78.9926 101.595 -40.1293 129.288 -40.5329 236.316 PRESSAVG: 1492000 -46.4148 -2.1458 5.98438 -2.14576 44.5258 -70.8456 5.98437 -70.8457 -3.55357 GPRESSAVG: 1492000 -46.0956 -1.23855 4.71145 -3.50578 44.8974 -71.007 6.01683 -71.504 -4.21101 TIMING: 1492000 CPU: 4716.55, 0.00314062/step Wall: 4716.55, 0.00314062/step, 3.06036 hours remaining, 233.429688 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: 1492000 3998.8194 20304.1639 14584.1584 232.8653 -203236.7958 2782.9596 0.0000 0.0000 52044.2057 -109289.6237 299.0988 -161333.8293 -108920.8532 299.6113 95.9322 125.9417 763491.1166 -1.8142 -1.8031 PRESSURE: 1492200 -31.2664 -86.4387 -299.973 -86.4381 -141.074 41.4165 -299.972 41.4161 -255.715 GPRESSURE: 1492200 5.08058 -49.6949 -192.052 -21.5665 -137.673 -25.7835 -258.196 71.9166 -210.036 PRESSAVG: 1492200 -12.3777 27.9164 13.1802 27.9165 -3.36569 -18.3615 13.1802 -18.3615 -1.98098 GPRESSAVG: 1492200 -12.9846 29.6924 11.5948 28.497 -4.30981 -18.1314 15.1835 -20.0359 -0.445795 TIMING: 1492200 CPU: 4717.18, 0.00314895/step Wall: 4717.18, 0.00314895/step, 3.06831 hours remaining, 233.429688 MB of memory in use. ENERGY: 1492200 4020.0702 20412.9738 14636.6963 270.6293 -202700.5550 2279.2635 0.0000 0.0000 51803.7558 -109277.1662 297.7169 -161080.9220 -108903.9771 299.2655 -142.6851 -114.2094 763395.5517 -5.9081 -5.9134 LDB: ============= START OF LOAD BALANCING ============== 4729.71 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4729.71 LDB: =============== DONE WITH MIGRATION ================ 4729.71 LDB: ============= START OF LOAD BALANCING ============== 4730.03 LDB: Largest compute 7053 load 0.031603 is 16.2% of average load 0.195450 LDB: Average compute 0.004383 is 2.2% of average load 0.195450 LDB: TIME 4730.03 LOAD: AVG 0.19545 MAX 0.216375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.195 MB LDB: TIME 4730.03 LOAD: AVG 0.19545 MAX 0.216375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: TIME 4730.03 LOAD: AVG 0.19545 MAX 0.216375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.398 MB LDB: ============== END OF LOAD BALANCING =============== 4730.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4730.04 PRESSURE: 1492400 139.591 -125.79 303.046 -125.791 -234.87 82.9424 303.045 82.9431 -95.6847 GPRESSURE: 1492400 120.486 -119.229 149.092 -111.273 -156.621 -97.5165 123.373 234.297 -63.5409 PRESSAVG: 1492400 -47.9029 -20.9501 25.1902 -20.9501 35.5477 24.199 25.1901 24.199 15.1504 GPRESSAVG: 1492400 -47.1744 -19.7636 25.7641 -21.4358 36.2629 25.4415 23.4818 25.9265 13.9219 TIMING: 1492400 CPU: 4717.82, 0.0032188/step Wall: 4717.82, 0.0032188/step, 3.13618 hours remaining, 233.964844 MB of memory in use. ENERGY: 1492400 3964.9107 20354.0255 14559.5102 254.4250 -202919.6877 2314.6285 0.0000 0.0000 52308.6493 -109163.5385 300.6185 -161472.1878 -108800.2438 299.2191 -63.6547 -33.2252 763187.7531 0.9317 1.0035 PRESSURE: 1492600 -232.083 25.113 120.781 25.1124 -49.5216 -171.004 120.783 -171.004 -362.162 GPRESSURE: 1492600 -220.194 3.8984 67.1042 121.644 50.4281 -281.979 126.965 14.8202 -376.99 PRESSAVG: 1492600 -33.3182 -43.6599 55.9454 -43.6599 14.9626 -26.1301 55.9454 -26.1301 -24.8288 GPRESSAVG: 1492600 -34.139 -44.8734 54.9061 -41.0327 14.9904 -25.5624 53.7181 -26.8637 -23.9589 TIMING: 1492600 CPU: 4718.45, 0.00314188/step Wall: 4718.45, 0.00314188/step, 3.06107 hours remaining, 233.976562 MB of memory in use. ENERGY: 1492600 3948.9219 20626.6717 14628.5011 256.9736 -203111.8270 2595.9634 0.0000 0.0000 52070.2311 -108984.5641 299.2483 -161054.7952 -108628.4935 299.7765 -214.5888 -182.2520 762044.4859 -14.3948 -14.3692 PRESSURE: 1492800 -3.04569 -53.9367 142.14 -53.9365 -153.38 27.1431 142.141 27.1424 -186.392 GPRESSURE: 1492800 -9.24167 -142.783 142.867 91.1413 -29.3586 75.6672 194.293 -82.4442 -208.842 PRESSAVG: 1492800 -8.56344 2.30387 -0.0380293 2.30382 15.2723 -31.9138 -0.0380644 -31.9138 19.852 GPRESSAVG: 1492800 -8.03692 1.09726 1.72671 2.83909 15.6473 -31.9325 1.10626 -31.8603 19.5101 TIMING: 1492800 CPU: 4719.08, 0.00315613/step Wall: 4719.08, 0.00315613/step, 3.07477 hours remaining, 234.042969 MB of memory in use. ENERGY: 1492800 3982.8575 20535.3596 14518.1253 254.6707 -203269.4051 2537.5303 0.0000 0.0000 52298.3351 -109142.5266 300.5593 -161440.8617 -108772.5708 299.9667 -114.2724 -82.4807 762343.8738 8.8536 9.0401 PRESSURE: 1493000 -38.8243 45.6262 3.22412 45.6271 227.789 140.651 3.22523 140.651 167.54 GPRESSURE: 1493000 -27.5037 4.986 114.721 203.379 299.89 168.497 -15.4514 89.6047 159.395 PRESSAVG: 1493000 -24.4293 -10.74 -5.9341 -10.74 10.6403 -50.7464 -5.93405 -50.7464 8.38255 GPRESSAVG: 1493000 -25.1905 -8.93586 -6.5989 -10.3943 10.1185 -51.2096 -3.85648 -52.3782 9.05291 TIMING: 1493000 CPU: 4719.71, 0.00314163/step Wall: 4719.71, 0.00314163/step, 3.06047 hours remaining, 234.042969 MB of memory in use. ENERGY: 1493000 4006.6547 20530.3699 14634.2407 264.6727 -203320.7460 2671.0013 0.0000 0.0000 52066.6757 -109147.1311 299.2279 -161213.8067 -108791.3257 299.2062 118.8349 143.9270 762430.3468 -1.8021 -2.0064 PRESSURE: 1493200 26.5817 2.117 15.6241 2.11697 221.819 86.2922 15.6242 86.2923 95.9012 GPRESSURE: 1493200 -47.6978 -64.2111 11.2379 -3.8061 267.432 24.7157 6.88983 146.037 200.356 PRESSAVG: 1493200 13.3679 23.0158 89.0613 23.0158 -1.02287 -16.4825 89.0613 -16.4825 13.1818 GPRESSAVG: 1493200 13.379 20.8767 89.3588 21.3464 -0.740362 -16.0296 86.7552 -14.9729 12.6281 TIMING: 1493200 CPU: 4720.34, 0.00315838/step Wall: 4720.34, 0.00315838/step, 3.07661 hours remaining, 234.042969 MB of memory in use. ENERGY: 1493200 3975.3162 20702.5110 14539.2767 248.4454 -203596.2907 2817.1721 0.0000 0.0000 51936.6915 -109376.8778 298.4809 -161313.5693 -109013.8343 299.2449 114.7674 140.0299 761882.3838 8.5090 8.4222 PRESSURE: 1493400 -487.964 90.6249 -236.366 90.6244 3.45758 -142.191 -236.365 -142.192 -249.318 GPRESSURE: 1493400 -312.468 115.469 -239.091 122.577 -21.873 -168.615 -224.852 -194.985 -302.969 PRESSAVG: 1493400 -44.7666 -10.9756 4.91786 -10.9756 20.742 8.76435 4.91787 8.76437 -7.31336 GPRESSAVG: 1493400 -43.7543 -9.17807 4.41806 -11.1749 20.3917 7.42377 4.97778 9.16897 -7.71687 TIMING: 1493400 CPU: 4720.97, 0.00316265/step Wall: 4720.97, 0.00316265/step, 3.0806 hours remaining, 234.031250 MB of memory in use. ENERGY: 1493400 4056.0548 20406.7606 14552.1276 260.8703 -203223.1569 2577.3862 0.0000 0.0000 51912.1648 -109457.7926 298.3399 -161369.9574 -109092.0008 298.2968 -244.6083 -212.4366 764739.0517 -10.4460 -10.3598 PRESSURE: 1493600 -348.515 147.698 118.038 147.698 185.788 11.6053 118.037 11.6055 62.5914 GPRESSURE: 1493600 -288.042 216.309 67.91 171.966 204.558 42.4352 83.36 95.0553 75.0837 PRESSAVG: 1493600 -58.0734 26.9674 5.09985 26.9674 61.6514 -11.6104 5.09978 -11.6104 12.8296 GPRESSAVG: 1493600 -58.6717 25.2828 4.91344 26.7014 62.2819 -9.89722 5.28771 -12.163 12.8829 TIMING: 1493600 CPU: 4721.61, 0.0031689/step Wall: 4721.61, 0.0031689/step, 3.08651 hours remaining, 234.031250 MB of memory in use. ENERGY: 1493600 4009.5327 20450.7805 14525.5592 259.5992 -203535.2196 2766.0721 0.0000 0.0000 51920.4393 -109603.2366 298.3875 -161523.6759 -109247.2828 298.6896 -33.3784 -2.8000 761738.3305 5.4692 5.4977 PRESSURE: 1493800 177.632 -183.401 21.1864 -183.4 32.8639 -195.564 21.186 -195.565 -390.95 GPRESSURE: 1493800 155.162 -142.82 -6.7056 -171.05 101.044 -70.8144 -19.8774 -169.954 -355.435 PRESSAVG: 1493800 -0.367681 19.0135 22.2064 19.0135 37.4167 -25.3241 22.2065 -25.3239 14.3105 GPRESSAVG: 1493800 -0.0848861 22.1685 21.3379 17.658 36.7065 -26.5122 21.5605 -25.6675 14.7403 TIMING: 1493800 CPU: 4722.24, 0.00317421/step Wall: 4722.24, 0.00317421/step, 3.0915 hours remaining, 234.031250 MB of memory in use. ENERGY: 1493800 4052.9245 20440.5863 14522.1576 264.1548 -203656.9705 2846.8257 0.0000 0.0000 51834.2655 -109696.0561 297.8922 -161530.3216 -109335.7745 298.4069 -60.1516 -33.0762 761867.5996 17.1198 17.1206 PRESSURE: 1494000 -183.295 -27.8759 -463.62 -27.8761 -225.17 7.41694 -463.619 7.41774 -116.469 GPRESSURE: 1494000 -151.001 48.8948 -511.355 -56.8694 -214.879 12.8421 -451.331 14.7332 -86.8845 PRESSAVG: 1494000 28.3186 -57.9796 35.5388 -57.9796 19.4732 -29.8053 35.5388 -29.8052 -26.3768 GPRESSAVG: 1494000 29.372 -60.2621 36.2754 -55.5546 18.717 -28.3215 35.7882 -28.8859 -26.4449 TIMING: 1494000 CPU: 4722.88, 0.00317341/step Wall: 4722.88, 0.00317341/step, 3.09055 hours remaining, 234.031250 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: 1494000 3993.7873 20407.6188 14565.3407 259.1684 -203223.5883 2378.1382 0.0000 0.0000 52089.3675 -109530.1674 299.3583 -161619.5348 -109161.0063 298.6261 -174.9779 -150.9217 763715.7988 7.1383 7.2147 PRESSURE: 1494200 -579.205 24.0581 26.5963 24.0582 -241.541 -106.159 26.5968 -106.159 -53.2272 GPRESSURE: 1494200 -505.457 51.8382 23.1599 10.2879 -189.307 -43.3961 6.30822 -19.0486 -97.8431 PRESSAVG: 1494200 8.19897 62.7655 -34.4028 62.7655 -6.49463 -7.34549 -34.4028 -7.34545 -9.93523 GPRESSAVG: 1494200 7.51466 64.5488 -34.3938 62.6743 -4.55993 -9.92303 -33.5152 -8.44613 -11.057 TIMING: 1494200 CPU: 4723.52, 0.00319351/step Wall: 4723.52, 0.00319351/step, 3.10995 hours remaining, 234.031250 MB of memory in use. ENERGY: 1494200 4018.7712 20585.8628 14612.2105 240.2108 -203277.2954 2663.0206 0.0000 0.0000 51922.3962 -109234.8234 298.3987 -161157.2196 -108883.8712 298.5914 -291.3244 -264.2023 763599.6071 -2.7436 -2.7008 PRESSURE: 1494400 18.0866 122.813 95.5072 122.814 -78.3532 10.0286 95.506 10.028 340.697 GPRESSURE: 1494400 71.9229 73.0679 129.387 -6.38563 -62.9289 50.9968 52.2037 202.432 346.555 PRESSAVG: 1494400 9.64798 40.6505 35.9974 40.6504 -7.34445 5.41346 35.9974 5.41351 6.79035 GPRESSAVG: 1494400 10.3665 38.9832 37.6818 41.4671 -9.44037 8.51518 34.8918 6.09355 7.81372 TIMING: 1494400 CPU: 4724.15, 0.00315035/step Wall: 4724.15, 0.00315035/step, 3.06774 hours remaining, 234.031250 MB of memory in use. ENERGY: 1494400 3910.9050 20332.0368 14609.9699 224.4435 -203086.8823 2741.8115 0.0000 0.0000 51866.2821 -109401.4336 298.0762 -161267.7157 -109038.1201 298.3447 93.4769 118.5164 762896.4780 3.0313 2.9133 PRESSURE: 1494600 -118.479 -160.678 10.78 -160.677 -164.003 53.6278 10.78 53.6268 -138.018 GPRESSURE: 1494600 -26.6995 -118.226 83.5289 -202.394 -175.01 95.1482 129.932 71.5786 -134.023 PRESSAVG: 1494600 9.62463 -15.9314 -1.91123 -15.9314 0.560369 31.1694 -1.91121 31.1694 8.97163 GPRESSAVG: 1494600 9.8703 -15.869 -3.68478 -15.0899 0.873402 29.0341 -0.599867 30.9502 9.11416 TIMING: 1494600 CPU: 4724.78, 0.00317939/step Wall: 4724.78, 0.00317939/step, 3.09584 hours remaining, 234.031250 MB of memory in use. ENERGY: 1494600 4036.7846 20514.5827 14610.7187 236.6005 -203528.8220 2753.1324 0.0000 0.0000 51958.1613 -109418.8418 298.6043 -161377.0031 -109072.5343 298.2759 -140.1666 -111.9110 763011.9115 6.3855 6.6193 PRESSURE: 1494800 43.755 -77.7078 19.47 -77.7075 -162.471 -215.722 19.4699 -215.722 188.604 GPRESSURE: 1494800 70.713 61.8774 37.0046 -206.951 -67.9823 -257.831 -21.5153 -268.749 144.697 PRESSAVG: 1494800 27.7963 -20.2399 -28.6681 -20.2398 -42.181 -33.4121 -28.6681 -33.4121 20.5915 GPRESSAVG: 1494800 26.6581 -19.999 -29.6828 -23.5516 -40.3525 -32.7769 -28.4424 -33.5634 20.2257 TIMING: 1494800 CPU: 4725.42, 0.00316144/step Wall: 4725.42, 0.00316144/step, 3.07819 hours remaining, 234.031250 MB of memory in use. ENERGY: 1494800 3903.4606 20487.7078 14584.8163 243.2002 -203220.9700 2671.3205 0.0000 0.0000 51961.1575 -109369.3072 298.6215 -161330.4647 -109008.5005 298.8753 23.2962 49.1427 763200.7174 2.0689 2.1771 PRESSURE: 1495000 -203.992 -13.5423 113.545 -13.5427 -55.223 -119.024 113.546 -119.023 -230.964 GPRESSURE: 1495000 -162.643 -27.7576 126.637 -4.56962 -4.95721 -70.6387 -42.1216 -233.168 -232.322 PRESSAVG: 1495000 -41.8466 11.753 24.1114 11.753 -28.4325 -30.7137 24.1114 -30.7137 -13.4122 GPRESSAVG: 1495000 -40.5805 12.6549 25.144 13.0482 -30.0402 -30.6947 23.3953 -30.9968 -12.916 TIMING: 1495000 CPU: 4726.05, 0.00317087/step Wall: 4726.05, 0.00317087/step, 3.0872 hours remaining, 234.031250 MB of memory in use. ENERGY: 1495000 4048.3005 20398.1149 14566.9497 260.2314 -203539.3511 2846.8389 0.0000 0.0000 52116.0243 -109302.8914 299.5115 -161418.9157 -108937.5909 298.6867 -163.3929 -133.3072 762827.7542 -27.8971 -27.8456 PRESSURE: 1495200 215.982 75.2767 21.4509 75.2764 -269.088 89.2297 21.451 89.2303 -98.5236 GPRESSURE: 1495200 222.833 26.6427 -17.043 134.143 -218.334 49.3762 14.1808 44.9769 -76.0996 PRESSAVG: 1495200 -25.083 -25.1486 -9.95479 -25.1486 -27.1117 -81.2488 -9.95482 -81.2488 18.2053 GPRESSAVG: 1495200 -26.4935 -27.3585 -9.5852 -23.3802 -27.1817 -80.9845 -9.79906 -79.17 18.4063 TIMING: 1495200 CPU: 4726.68, 0.00315089/step Wall: 4726.68, 0.00315089/step, 3.06757 hours remaining, 234.031250 MB of memory in use. ENERGY: 1495200 3955.4604 20508.3737 14607.0686 242.4814 -203335.1052 2738.7671 0.0000 0.0000 52099.1686 -109183.7854 299.4146 -161282.9540 -108831.8008 299.0616 -50.5434 -23.8669 762312.4197 -11.3298 -11.7563 PRESSURE: 1495400 -193.547 -82.4801 123.923 -82.4796 -320.14 65.6669 123.923 65.6675 173.314 GPRESSURE: 1495400 -214.373 -33.4758 132.129 -31.0954 -240.802 112.539 -60.1271 119.541 196.724 PRESSAVG: 1495400 -23.1813 12.374 -13.224 12.3741 15.9065 -23.7495 -13.224 -23.7495 17.3977 GPRESSAVG: 1495400 -23.8578 15.2646 -15.4251 11.7659 17.7621 -23.4073 -12.4597 -28.043 16.0006 TIMING: 1495400 CPU: 4727.31, 0.00316033/step Wall: 4727.31, 0.00316033/step, 3.07659 hours remaining, 234.031250 MB of memory in use. ENERGY: 1495400 3980.4770 20505.4126 14607.3610 246.5666 -203465.4354 2650.0921 0.0000 0.0000 51995.6885 -109479.8375 298.8199 -161475.5260 -109115.9439 298.7186 -113.4575 -86.1502 762694.9026 3.3743 3.3016 PRESSURE: 1495600 -161.716 151.066 -125.641 151.067 -216.69 -116.96 -125.64 -116.959 65.77 GPRESSURE: 1495600 -115.385 73.9785 -60.8797 73.0381 -136.566 -169.57 80.3393 -111.604 30.0044 PRESSAVG: 1495600 -43.014 35.0735 25.4004 35.0735 44.4207 -16.0698 25.4005 -16.0698 -7.08715 GPRESSAVG: 1495600 -42.6883 33.4958 28.0379 34.5131 42.9198 -17.0504 24.6922 -14.5151 -5.70181 TIMING: 1495600 CPU: 4727.94, 0.0031655/step Wall: 4727.94, 0.0031655/step, 3.08144 hours remaining, 234.031250 MB of memory in use. ENERGY: 1495600 3975.9921 20474.0901 14511.8389 252.3272 -203147.4141 2661.6770 0.0000 0.0000 51909.1659 -109362.3228 298.3227 -161271.4887 -109002.1885 298.9544 -104.2120 -73.9820 763019.1753 -1.8935 -1.8234 PRESSURE: 1495800 39.4003 151.696 -221.605 151.698 -66.0027 -117.313 -221.604 -117.313 -82.5315 GPRESSURE: 1495800 76.2212 214.724 -172.405 85.2583 -18.2515 -142.859 -185.986 42.4434 -83.2141 PRESSAVG: 1495800 21.6816 32.5835 44.6505 32.5835 -20.3069 -42.6589 44.6505 -42.6588 -16.93 GPRESSAVG: 1495800 23.5927 31.6737 45.1425 32.6453 -22.1038 -42.7659 42.4628 -40.4795 -17.3461 TIMING: 1495800 CPU: 4728.58, 0.00317606/step Wall: 4728.58, 0.00317606/step, 3.09154 hours remaining, 234.031250 MB of memory in use. ENERGY: 1495800 3990.4452 20506.6168 14656.0598 243.7684 -203093.3270 2642.0184 0.0000 0.0000 51975.0387 -109079.3796 298.7013 -161054.4183 -108723.6482 299.0420 -36.3780 -8.4148 764359.1771 -5.1851 -5.2857 PRESSURE: 1496000 -114.88 2.9465 -30.855 2.94678 100.727 -282.728 -30.8547 -282.727 -41.7735 GPRESSURE: 1496000 -35.6515 12.0059 -45.871 14.7854 138.667 -207.229 -107.054 -145.503 -91.8635 PRESSAVG: 1496000 -1.81486 4.35237 -24.4874 4.3524 -11.5777 -48.6388 -24.4874 -48.6389 -34.2997 GPRESSAVG: 1496000 -2.68051 5.82503 -25.4983 2.56997 -10.8216 -48.7284 -23.157 -48.9825 -34.6118 TIMING: 1496000 CPU: 4729.22, 0.00317989/step Wall: 4729.22, 0.00317989/step, 3.09509 hours remaining, 234.101562 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: 1496000 4025.1319 20653.4389 14602.3528 227.8573 -203587.4988 2957.9740 0.0000 0.0000 52079.1275 -109041.6165 299.2995 -161120.7440 -108673.1456 299.9460 -18.6424 3.7173 764813.9999 -15.8974 -16.0380 PRESSURE: 1496200 -133.594 121.617 -61.512 121.617 -309.329 122.511 -61.5126 122.511 -142.761 GPRESSURE: 1496200 -73.002 -11.6141 -140.776 124.494 -331.859 121.256 -193.668 191.362 -95.9009 PRESSAVG: 1496200 -80.0468 31.8539 -46.4787 31.8539 26.2033 -24.3176 -46.4786 -24.3175 -0.239827 GPRESSAVG: 1496200 -79.5742 32.663 -46.2793 34.3922 25.3304 -23.6006 -46.9206 -24.6097 -0.373676 TIMING: 1496200 CPU: 4729.85, 0.0031558/step Wall: 4729.85, 0.0031558/step, 3.07147 hours remaining, 234.101562 MB of memory in use. ENERGY: 1496200 4039.4393 20427.4299 14621.0196 241.1393 -203502.6103 2731.8598 0.0000 0.0000 52215.0494 -109226.6730 300.0806 -161441.7224 -108864.6611 299.0829 -195.2280 -166.9208 764783.3077 -18.0278 -18.2058 LDB: ============= START OF LOAD BALANCING ============== 4742.38 LDB: ============== END OF LOAD BALANCING =============== 4742.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4742.38 LDB: ============= START OF LOAD BALANCING ============== 4742.7 LDB: Largest compute 7037 load 0.032204 is 16.5% of average load 0.195388 LDB: Average compute 0.004382 is 2.2% of average load 0.195388 LDB: TIME 4742.7 LOAD: AVG 0.195388 MAX 0.216053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.047 MB LDB: TIME 4742.7 LOAD: AVG 0.195388 MAX 0.216053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 4742.7 LOAD: AVG 0.195388 MAX 0.216053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 4742.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4742.71 PRESSURE: 1496400 60.0313 98.6163 309.51 98.6163 20.9907 -153.253 309.51 -153.252 -378.232 GPRESSURE: 1496400 66.104 118.092 351.294 119.792 129.524 -188.066 380.907 -71.9659 -390.871 PRESSAVG: 1496400 30.7098 10.0617 11.1497 10.0617 -9.70524 -32.7143 11.1497 -32.7143 -25.3257 GPRESSAVG: 1496400 30.1087 8.1111 9.99912 8.33331 -8.55116 -33.441 13.3673 -33.9437 -25.5543 TIMING: 1496400 CPU: 4730.49, 0.00323807/step Wall: 4730.49, 0.00323807/step, 3.15136 hours remaining, 232.937500 MB of memory in use. ENERGY: 1496400 4006.8093 20550.4152 14487.3016 260.3189 -203586.9396 2820.2854 0.0000 0.0000 52420.7508 -109041.0584 301.2628 -161461.8093 -108674.1602 299.3743 -99.0699 -65.0812 762047.9355 -1.4404 -1.3322 PRESSURE: 1496600 95.7522 42.4683 -139.086 42.4685 -195.966 97.6316 -139.086 97.6323 -395.826 GPRESSURE: 1496600 102.35 72.3056 -149.069 168.033 -173.981 133.97 -86.076 173.211 -343.293 PRESSAVG: 1496600 -27.8326 28.3024 13.5054 28.3024 2.79872 -23.9172 13.5054 -23.9172 11.5807 GPRESSAVG: 1496600 -27.5702 27.1186 11.5434 31.9772 2.63572 -21.7612 13.1856 -23.202 12.1299 TIMING: 1496600 CPU: 4731.13, 0.00316335/step Wall: 4731.13, 0.00316335/step, 3.07847 hours remaining, 233.140625 MB of memory in use. ENERGY: 1496600 4018.8552 20499.1265 14548.9578 255.2888 -203306.1128 2871.7813 0.0000 0.0000 52189.2400 -108922.8632 299.9323 -161112.1032 -108554.5043 299.9070 -165.3467 -138.3081 765948.0150 -4.4844 -4.2682 PRESSURE: 1496800 -299.22 199.894 -19.0796 199.895 -186.522 -151.636 -19.0807 -151.637 -120.391 GPRESSURE: 1496800 -267.82 196.474 -18.0709 184.024 -131.81 -197.395 36.2663 -95.0393 -114.843 PRESSAVG: 1496800 -38.1478 -8.6294 7.58562 -8.62937 65.5185 49.721 7.58557 49.721 18.256 GPRESSAVG: 1496800 -37.4715 -5.99151 10.0096 -12.1445 65.8423 48.0029 7.22258 49.8061 17.6871 TIMING: 1496800 CPU: 4731.76, 0.00313931/step Wall: 4731.76, 0.00313931/step, 3.0549 hours remaining, 233.140625 MB of memory in use. ENERGY: 1496800 4022.6964 20498.4004 14528.1242 248.7256 -203057.4030 2549.0744 0.0000 0.0000 52146.0884 -109064.2935 299.6843 -161210.3819 -108694.1155 300.1932 -202.0442 -171.4911 764861.3703 15.2089 15.3526 PRESSURE: 1497000 -3.701 170.973 104.315 170.972 -200.833 -125.218 104.314 -125.217 27.5681 GPRESSURE: 1497000 17.1942 270.319 97.6953 76.0043 -130.544 -139.963 146.875 -26.9757 35.4449 PRESSAVG: 1497000 20.345 3.23657 31.2538 3.23655 -25.932 -18.6856 31.2537 -18.6856 -4.15122 GPRESSAVG: 1497000 19.6578 3.33999 32.0452 2.76894 -26.0462 -20.005 30.4263 -15.4274 -3.44121 TIMING: 1497000 CPU: 4732.39, 0.00316654/step Wall: 4732.39, 0.00316654/step, 3.08122 hours remaining, 233.285156 MB of memory in use. ENERGY: 1497000 4016.6386 20523.0494 14596.2908 254.0717 -203246.6436 2682.6377 0.0000 0.0000 52054.5413 -109119.4141 299.1582 -161173.9554 -108761.9585 299.2674 -58.9886 -25.9681 763080.9863 -3.2461 -3.2765 PRESSURE: 1497200 0.238591 56.1142 -9.85795 56.1145 -46.8303 -2.57152 -9.85712 -2.57071 259.71 GPRESSURE: 1497200 97.5529 52.6902 -21.3205 98.0265 -54.5631 -22.3555 -130.128 -77.4623 218.772 PRESSAVG: 1497200 51.5158 -17.2635 -7.66747 -17.2635 -26.4673 -2.38319 -7.6675 -2.38321 -21.335 GPRESSAVG: 1497200 53.0004 -19.9465 -7.29308 -17.1082 -26.4771 -0.956889 -7.50128 -5.1651 -22.7684 TIMING: 1497200 CPU: 4733.02, 0.00316129/step Wall: 4733.02, 0.00316129/step, 3.07594 hours remaining, 233.273438 MB of memory in use. ENERGY: 1497200 3969.4321 20591.3738 14543.2045 262.8949 -202897.0543 2489.4871 0.0000 0.0000 52146.6183 -108894.0435 299.6873 -161040.6619 -108531.1926 299.9943 71.0396 87.2538 762462.8919 1.2378 1.2516 PRESSURE: 1497400 146.212 -71.0479 128.823 -71.0477 -12.9378 132.309 128.823 132.309 -226.195 GPRESSURE: 1497400 180.466 40.1671 147.242 -106.386 81.6523 106.014 190.962 116.67 -258.853 PRESSAVG: 1497400 25.1184 19.1264 71.8003 19.1264 22.9068 2.60063 71.8002 2.6007 -33.7201 GPRESSAVG: 1497400 24.6357 20.8183 70.4253 19.3945 23.7388 3.08407 73.7148 1.6128 -33.829 TIMING: 1497400 CPU: 4733.65, 0.00316756/step Wall: 4733.65, 0.00316756/step, 3.08186 hours remaining, 233.285156 MB of memory in use. ENERGY: 1497400 4046.7323 20490.5750 14553.9432 247.9515 -203302.6424 2696.7638 0.0000 0.0000 52295.1815 -108971.4951 300.5411 -161266.6765 -108599.0328 299.6147 -30.9736 1.0886 762083.2681 4.7684 4.8485 PRESSURE: 1497600 -142.804 -77.6267 -205.75 -77.6275 0.814337 -182.822 -205.751 -182.821 -36.7397 GPRESSURE: 1497600 -88.739 -123.553 -208.528 -24.9874 105.708 -160.997 -163.07 -176.185 -90.723 PRESSAVG: 1497600 -52.645 -29.818 -3.45808 -29.818 -6.84503 19.3008 -3.45812 19.3008 12.7031 GPRESSAVG: 1497600 -51.3277 -29.709 -2.49739 -28.0655 -8.38155 19.0244 -5.43619 21.3625 12.951 TIMING: 1497600 CPU: 4734.28, 0.00315227/step Wall: 4734.28, 0.00315227/step, 3.06681 hours remaining, 233.285156 MB of memory in use. ENERGY: 1497600 4043.3764 20584.9292 14570.4943 262.0222 -203146.7187 2763.6523 0.0000 0.0000 51984.2590 -108937.9853 298.7543 -160922.2443 -108574.2087 299.6729 -59.5764 -24.5846 763856.1758 -15.5956 -15.5861 PRESSURE: 1497800 86.6794 102.202 -35.3516 102.201 -20.3753 2.69406 -35.3518 2.69437 231.688 GPRESSURE: 1497800 28.7886 -10.2814 33.8368 107.483 139.252 59.9437 -20.8088 -168.15 238.667 PRESSAVG: 1497800 -73.3802 -15.4595 36.548 -15.4596 85.0239 -50.7387 36.548 -50.7387 7.19975 GPRESSAVG: 1497800 -74.7971 -16.3199 37.2002 -17.1638 85.2493 -50.496 34.8108 -52.58 7.98022 TIMING: 1497800 CPU: 4734.91, 0.003148/step Wall: 4734.91, 0.003148/step, 3.06248 hours remaining, 233.285156 MB of memory in use. ENERGY: 1497800 4071.0008 20590.9804 14577.0270 239.6153 -203403.6465 2753.6294 0.0000 0.0000 52043.6764 -109127.7172 299.0957 -161171.3936 -108768.6355 299.1308 99.3307 135.5691 764003.3894 6.2812 6.1442 PRESSURE: 1498000 15.3215 11.814 82.4422 11.814 260.174 250.373 82.4427 250.375 -167.951 GPRESSURE: 1498000 36.926 29.702 180.775 38.6926 327.172 222.686 68.9653 302.427 -171.102 PRESSAVG: 1498000 29.969 -8.45555 55.33 -8.45554 -21.5967 -14.2252 55.33 -14.2251 -13.1629 GPRESSAVG: 1498000 30.6117 -8.11601 55.2512 -7.82495 -21.8518 -13.9028 55.005 -13.6728 -13.4851 TIMING: 1498000 CPU: 4735.54, 0.00314396/step Wall: 4735.54, 0.00314396/step, 3.05837 hours remaining, 233.285156 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: 1498000 4036.2026 20617.7739 14562.9300 259.8686 -203528.6339 2936.5447 0.0000 0.0000 51990.2566 -109125.0573 298.7887 -161115.3139 -108766.2601 299.4291 35.8482 64.3319 762648.1315 -1.5968 -1.5751 PRESSURE: 1498200 26.3477 225.083 68.4222 225.084 -280.399 -11.4138 68.4216 -11.4148 -331.059 GPRESSURE: 1498200 5.74127 134.79 75.5373 150.769 -154.636 -8.97718 119.805 -62.0916 -345.237 PRESSAVG: 1498200 -28.6289 20.6873 -23.0028 20.6873 -1.22365 -15.3053 -23.0028 -15.3053 39.4975 GPRESSAVG: 1498200 -29.3531 21.1453 -24.4477 19.3127 0.186009 -17.3493 -21.9775 -14.7142 38.4123 TIMING: 1498200 CPU: 4736.17, 0.00314589/step Wall: 4736.17, 0.00314589/step, 3.06008 hours remaining, 233.285156 MB of memory in use. ENERGY: 1498200 4038.1289 20571.6767 14551.4608 255.6370 -203240.2835 2575.4343 0.0000 0.0000 51969.3340 -109278.6118 298.6685 -161247.9458 -108920.2818 299.1879 -195.0367 -164.7106 764913.3309 3.2150 3.0818 PRESSURE: 1498400 29.5853 -115.656 -116.347 -115.657 47.446 -42.61 -116.347 -42.6103 -58.9741 GPRESSURE: 1498400 102.003 -48.8299 -88.4947 -125.811 28.6292 -5.86794 -102.137 -126.844 -11.1804 PRESSAVG: 1498400 35.4376 44.7368 7.41406 44.7368 9.50152 6.10444 7.41406 6.10447 14.1658 GPRESSAVG: 1498400 34.8721 44.2379 8.52748 46.0339 8.00273 5.75348 8.37696 6.11623 16.2472 TIMING: 1498400 CPU: 4736.8, 0.00314349/step Wall: 4736.8, 0.00314349/step, 3.05757 hours remaining, 233.285156 MB of memory in use. ENERGY: 1498400 3972.1614 20629.8276 14478.0164 233.1713 -203165.0123 2530.7864 0.0000 0.0000 51974.3037 -109346.7454 298.6970 -161321.0492 -108966.6907 298.9204 6.0191 39.8173 764738.0688 19.7016 19.7073 PRESSURE: 1498600 146.247 182.507 26.9241 182.507 -49.1627 -188.256 26.9239 -188.256 -32.7663 GPRESSURE: 1498600 160.127 260.501 38.5009 197.742 18.0404 -245.534 -64.0524 -241.165 -24.6753 PRESSAVG: 1498600 28.1094 5.44511 21.5492 5.44512 17.4267 9.08763 21.5492 9.08761 36.4704 GPRESSAVG: 1498600 29.4706 6.35951 21.5739 5.2607 16.5375 11.2237 21.7548 8.88732 34.9768 TIMING: 1498600 CPU: 4737.42, 0.00312019/step Wall: 4737.42, 0.00312019/step, 3.03473 hours remaining, 233.285156 MB of memory in use. ENERGY: 1498600 3961.9966 20570.5863 14654.2793 246.1667 -203755.2834 2791.0999 0.0000 0.0000 52026.8489 -109504.3057 298.9990 -161531.1546 -109135.5807 299.1023 21.4393 51.1641 762800.1865 27.3355 26.9950 PRESSURE: 1498800 -159.648 -34.6678 134.698 -34.6684 -54.2737 36.5322 134.697 36.5323 -31.5507 GPRESSURE: 1498800 -174.607 -46.0724 163.107 -97.8006 67.0988 64.2738 61.8082 106.602 -80.2388 PRESSAVG: 1498800 9.37321 6.17276 -34.2878 6.17279 4.97048 -45.9459 -34.2879 -45.9458 5.86378 GPRESSAVG: 1498800 7.19629 4.41675 -36.307 5.32524 5.72827 -48.0866 -33.7842 -45.2725 6.7439 TIMING: 1498800 CPU: 4738.05, 0.00312791/step Wall: 4738.05, 0.00312791/step, 3.04207 hours remaining, 233.285156 MB of memory in use. ENERGY: 1498800 3990.2355 20580.6365 14602.8825 258.5961 -203368.0730 2483.1707 0.0000 0.0000 52096.5767 -109355.9750 299.3997 -161452.5516 -108997.1369 299.0900 -81.8240 -62.5825 761588.6608 6.7358 6.5562 PRESSURE: 1499000 191.855 12.1812 -73.2578 12.1803 24.397 253.945 -73.2572 253.946 -234.046 GPRESSURE: 1499000 179.747 2.77527 -111.779 -30.5871 26.1053 250.37 -148.446 189.292 -154.609 PRESSAVG: 1499000 48.3696 -2.6678 -21.9293 -2.66782 -18.9576 57.5576 -21.9293 57.5576 -6.28182 GPRESSAVG: 1499000 48.7334 -2.9509 -21.5719 -2.65707 -19.2608 58.6563 -24.6657 57.7453 -6.44568 TIMING: 1499000 CPU: 4738.68, 0.00312744/step Wall: 4738.68, 0.00312744/step, 3.04144 hours remaining, 233.285156 MB of memory in use. ENERGY: 1499000 3969.7028 20567.5202 14556.6526 241.3574 -203288.4013 2595.0139 0.0000 0.0000 52055.4806 -109302.6737 299.1636 -161358.1543 -108932.4701 299.1370 -5.9312 17.0814 761865.9282 7.7101 7.6756 PRESSURE: 1499200 -140.77 -31.1536 28.0949 -31.153 -302.303 -34.9692 28.0943 -34.9694 -549.922 GPRESSURE: 1499200 -138.869 -48.5245 26.8085 8.49043 -294.388 1.24584 110.794 -45.7519 -476.91 PRESSAVG: 1499200 36.7886 23.0709 25.4835 23.0708 24.4336 -40.3251 25.4835 -40.3251 9.85176 GPRESSAVG: 1499200 36.0543 22.8331 26.4303 26.006 25.9921 -40.4212 27.5585 -40.5722 8.97542 TIMING: 1499200 CPU: 4739.3, 0.00313706/step Wall: 4739.3, 0.00313706/step, 3.05062 hours remaining, 233.285156 MB of memory in use. ENERGY: 1499200 3989.3956 20545.3000 14530.5539 253.9054 -203247.2845 2481.5585 0.0000 0.0000 52314.8037 -109131.7674 300.6539 -161446.5710 -108773.1529 299.1884 -330.9983 -303.3891 763606.6828 23.6913 23.6739 PRESSURE: 1499400 -63.3622 -180.869 -91.6739 -180.869 -68.1769 -56.4281 -91.6731 -56.428 -24.5944 GPRESSURE: 1499400 -40.7042 -214.389 -100.883 -141.392 16.652 -19.2538 11.0133 -204.714 -35.8073 PRESSAVG: 1499400 -6.31407 -7.9192 25.561 -7.91917 32.1717 -58.4561 25.561 -58.456 8.98122 GPRESSAVG: 1499400 -5.39504 -7.84507 26.6688 -9.6957 30.7229 -57.2773 24.5967 -58.1765 9.29156 TIMING: 1499400 CPU: 4739.93, 0.00314863/step Wall: 4739.93, 0.00314863/step, 3.06169 hours remaining, 233.285156 MB of memory in use. ENERGY: 1499400 4027.5228 20406.7172 14532.5536 241.9268 -203177.3225 2910.5467 0.0000 0.0000 52254.2591 -108803.7964 300.3059 -161058.0555 -108447.5078 300.2582 -52.0445 -19.9532 762229.9054 11.6129 11.5398 PRESSURE: 1499600 81.5508 202.232 -123.324 202.233 120.202 25.0229 -123.324 25.0229 217.085 GPRESSURE: 1499600 83.0948 204.389 -141.526 156.056 178.161 15.809 42.1487 0.781616 247.313 PRESSAVG: 1499600 -26.506 -49.4985 -35.1702 -49.4984 31.6949 -17.2209 -35.1702 -17.2209 -25.149 GPRESSAVG: 1499600 -27.2742 -50.2787 -36.0889 -49.1057 31.3519 -16.6762 -33.3969 -18.6101 -24.4188 TIMING: 1499600 CPU: 4740.56, 0.00314092/step Wall: 4740.56, 0.00314092/step, 3.05403 hours remaining, 233.285156 MB of memory in use. ENERGY: 1499600 4013.1344 20462.3691 14588.7416 256.1986 -203480.4486 2984.2390 0.0000 0.0000 52126.0155 -109049.7504 299.5689 -161175.7659 -108686.3422 300.0652 139.6126 169.5230 763498.2531 -6.6534 -6.7804 PRESSURE: 1499800 -193.286 -49.3313 52.6185 -49.3321 181.237 -148.465 52.6177 -148.465 68.1658 GPRESSURE: 1499800 -90.213 -130.737 21.1029 0.122896 193.572 -86.0201 4.16666 -76.0342 49.25 PRESSAVG: 1499800 16.7645 33.6297 -9.91617 33.6297 -51.0244 -16.0396 -9.91614 -16.0396 8.52052 GPRESSAVG: 1499800 18.5621 35.1225 -10.7942 32.5425 -51.508 -16.131 -9.64178 -15.3295 6.99448 TIMING: 1499800 CPU: 4741.19, 0.00314294/step Wall: 4741.19, 0.00314294/step, 3.05581 hours remaining, 233.285156 MB of memory in use. ENERGY: 1499800 3982.0782 20441.9591 14626.5238 247.8180 -203577.2797 2773.5793 0.0000 0.0000 52321.6925 -109183.6288 300.6935 -161505.3213 -108828.5426 299.8117 18.7056 50.8697 762753.4706 -8.5798 -8.6505 PRESSURE: 1500000 66.9374 51.6697 12.576 51.6697 37.2761 15.5874 12.5761 15.5874 -297.053 GPRESSURE: 1500000 76.8842 80.7732 70.5818 148.805 29.3978 -0.355824 -7.71275 -87.2665 -220.124 PRESSAVG: 1500000 2.61589 13.5963 0.864854 13.5963 2.99714 -41.0442 0.864919 -41.0442 -3.77773 GPRESSAVG: 1500000 0.8296 13.2875 1.72083 15.0937 4.48111 -41.951 -0.518892 -39.9866 -3.66849 TIMING: 1500000 CPU: 4741.82, 0.00314265/step Wall: 4741.82, 0.00314265/step, 3.05536 hours remaining, 233.285156 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: 1500000 4015.8096 20536.2198 14507.6350 274.3978 -203390.9709 2610.4961 0.0000 0.0000 51934.4370 -109511.9755 298.4679 -161446.4125 -109153.2162 299.0983 -64.2799 -37.9474 761531.4428 0.6118 0.5474 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.1.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: 1500200 -37.8348 45.3847 -25.8444 45.3848 -221.767 -273.592 -25.8437 -273.591 -257.407 GPRESSURE: 1500200 -86.5974 128.873 8.38607 20.0092 -181.307 -283.461 -19.9491 -201.472 -179.734 PRESSAVG: 1500200 -11.0663 16.2509 -4.17257 16.2509 22.3725 -41.1034 -4.17256 -41.1034 -2.08438 GPRESSAVG: 1500200 -12.1768 17.3427 -3.89127 14.3561 22.1122 -40.2559 -4.91266 -42.3575 -1.21516 TIMING: 1500200 CPU: 4742.47, 0.00323961/step Wall: 4742.47, 0.00323961/step, 3.14944 hours remaining, 235.136719 MB of memory in use. ENERGY: 1500200 3975.6538 20489.6691 14642.4497 241.9473 -203224.4137 2274.9440 0.0000 0.0000 52105.8845 -109493.8653 299.4532 -161599.7498 -109128.1400 298.5193 -172.3361 -149.2128 762261.0440 3.0740 2.9067 LDB: ============= START OF LOAD BALANCING ============== 4755 LDB: ============== END OF LOAD BALANCING =============== 4755 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4755 LDB: ============= START OF LOAD BALANCING ============== 4755.31 LDB: Largest compute 7060 load 0.031385 is 16.1% of average load 0.195316 LDB: Average compute 0.004383 is 2.2% of average load 0.195316 LDB: TIME 4755.32 LOAD: AVG 0.195316 MAX 0.215189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.984 MB LDB: TIME 4755.32 LOAD: AVG 0.195316 MAX 0.215189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.984 MB LDB: TIME 4755.32 LOAD: AVG 0.195316 MAX 0.215189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.984 MB LDB: ============== END OF LOAD BALANCING =============== 4755.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4755.32 PRESSURE: 1500400 143.334 -116.863 -266.736 -116.864 -86.45 -152.874 -266.737 -152.873 -179.261 GPRESSURE: 1500400 197.012 -154.479 -230.298 -132.204 -120.213 -196.973 -125.117 -173.073 -112.115 PRESSAVG: 1500400 35.0791 3.26431 -27.2279 3.26432 42.726 14.8258 -27.2279 14.826 11.6726 GPRESSAVG: 1500400 36.1024 1.15745 -28.0021 5.3249 42.7053 14.3758 -26.3672 13.8334 10.3559 TIMING: 1500400 CPU: 4743.11, 0.00320764/step Wall: 4743.11, 0.00320764/step, 3.11818 hours remaining, 233.503906 MB of memory in use. ENERGY: 1500400 3936.5220 20355.8842 14505.9895 262.8769 -203073.0318 2702.4476 0.0000 0.0000 52123.1051 -109186.2064 299.5522 -161309.3115 -108824.2887 299.5233 -40.7922 -11.7721 762685.2367 29.8259 29.7212 PRESSURE: 1500600 194.094 -204.759 -192.085 -204.76 -168.826 -148.343 -192.086 -148.342 86.6408 GPRESSURE: 1500600 137.706 -191.695 -200.305 -118.812 -73.1111 -177.962 -167.1 -82.1583 137.857 PRESSAVG: 1500600 -10.836 -44.3159 -59.0022 -44.316 18.019 -8.14983 -59.0022 -8.14981 16.1331 GPRESSAVG: 1500600 -12.111 -43.4108 -57.566 -45.0514 18.5205 -8.70022 -60.9612 -8.26168 17.1482 TIMING: 1500600 CPU: 4743.74, 0.00313981/step Wall: 4743.74, 0.00313981/step, 3.05207 hours remaining, 233.503906 MB of memory in use. ENERGY: 1500600 3973.5886 20463.6407 14481.2419 255.3836 -203073.2823 2529.1172 0.0000 0.0000 52319.3384 -109050.9718 300.6800 -161370.3103 -108695.9803 299.3180 37.3027 67.4840 762478.3956 7.7720 7.8525 PRESSURE: 1500800 146.345 15.9665 194.07 15.9669 -95.5625 126.789 194.07 126.789 283.649 GPRESSURE: 1500800 165.898 -30.5378 133.742 -65.644 0.828564 163.372 192.062 57.3539 242.348 PRESSAVG: 1500800 13.0549 -50.308 -4.05613 -50.308 -29.0488 32.0823 -4.05621 32.0822 -16.4853 GPRESSAVG: 1500800 13.9709 -49.0617 -5.18411 -51.3467 -29.0899 32.9591 -3.68002 33.6167 -17.0333 TIMING: 1500800 CPU: 4744.36, 0.00313628/step Wall: 4744.36, 0.00313628/step, 3.04847 hours remaining, 233.503906 MB of memory in use. ENERGY: 1500800 3925.7059 20481.0472 14590.5540 243.6876 -203010.7242 2640.3359 0.0000 0.0000 52077.5527 -109051.8408 299.2904 -161129.3935 -108682.9400 299.6960 111.4773 136.3582 762105.7128 -10.8264 -10.7174 PRESSURE: 1501000 137.463 -94.3279 -19.077 -94.3272 68.7315 179.017 -19.0778 179.016 318.085 GPRESSURE: 1501000 155.857 -116.01 -14.9988 6.14571 135.17 158.175 14.3761 33.8818 342.413 PRESSAVG: 1501000 30.0215 -64.8264 -34.5528 -64.8264 16.0721 15.4472 -34.5529 15.4472 15.4373 GPRESSAVG: 1501000 30.6083 -65.7396 -35.2864 -62.8615 15.8059 15.1048 -33.0478 15.8224 15.6547 TIMING: 1501000 CPU: 4744.99, 0.00314951/step Wall: 4744.99, 0.00314951/step, 3.06115 hours remaining, 233.503906 MB of memory in use. ENERGY: 1501000 3999.1666 20630.3211 14599.1920 238.2459 -203073.8451 2758.0716 0.0000 0.0000 52187.2848 -108661.5632 299.9210 -160848.8480 -108306.4068 300.2614 174.7601 211.1466 759774.9695 20.5103 20.6896 PRESSURE: 1501200 -197.81 89.9822 -43.2129 89.9829 -163.977 7.49595 -43.2128 7.49642 62.1227 GPRESSURE: 1501200 -74.214 96.552 -68.1158 1.62164 -159.106 83.5797 -15.3644 -5.31016 41.1908 PRESSAVG: 1501200 14.5172 -11.8098 -0.0616089 -11.8099 -34.4 17.1776 -0.0615955 17.1775 7.55285 GPRESSAVG: 1501200 15.2279 -12.9596 -0.127647 -11.2262 -34.4898 16.4346 -3.11814 17.251 7.3449 TIMING: 1501200 CPU: 4745.62, 0.00312777/step Wall: 4745.62, 0.00312777/step, 3.03985 hours remaining, 233.503906 MB of memory in use. ENERGY: 1501200 4010.7661 20393.7678 14557.2604 221.5526 -202649.0013 2398.9666 0.0000 0.0000 52332.5537 -108734.1341 300.7559 -161066.6878 -108365.2234 300.5520 -99.8881 -64.0429 761990.1064 -4.1100 -3.9723 PRESSURE: 1501400 209.031 -58.1482 -81.0226 -58.1483 132.333 -164.707 -81.0245 -164.707 -166.873 GPRESSURE: 1501400 287.816 -91.2715 -0.474747 -25.6371 84.0968 -194.939 -65.9242 -167.019 -112.795 PRESSAVG: 1501400 47.0441 -13.8273 -20.4789 -13.8273 12.0755 -10.7112 -20.4789 -10.7111 7.87478 GPRESSAVG: 1501400 47.09 -14.6216 -20.453 -14.742 11.6694 -11.0519 -18.7852 -11.1233 7.83118 TIMING: 1501400 CPU: 4746.25, 0.00315904/step Wall: 4746.25, 0.00315904/step, 3.07006 hours remaining, 233.503906 MB of memory in use. ENERGY: 1501400 3943.1337 20446.0611 14587.1859 269.0850 -203096.4400 2620.5109 0.0000 0.0000 52400.9527 -108829.5107 301.1490 -161230.4634 -108463.1615 300.5512 58.1638 86.3726 761642.4338 22.3315 22.1968 PRESSURE: 1501600 -18.4485 -71.9236 -61.0497 -71.9232 413.108 -167.815 -61.0499 -167.814 41.6075 GPRESSURE: 1501600 35.1255 -36.6474 -116.328 -66.6518 429.581 -23.9585 -31.8711 -167.152 61.5828 PRESSAVG: 1501600 -9.94238 5.41108 14.0431 5.4111 -4.75268 -48.5515 14.0431 -48.5516 -36.4918 GPRESSAVG: 1501600 -11.7123 9.21072 13.2915 2.70256 -4.2918 -47.3793 13.8889 -46.8559 -35.4433 TIMING: 1501600 CPU: 4746.88, 0.00312695/step Wall: 4746.88, 0.00312695/step, 3.0387 hours remaining, 233.503906 MB of memory in use. ENERGY: 1501600 3968.7032 20419.2218 14578.4120 241.4262 -203280.6644 2814.8589 0.0000 0.0000 52393.5705 -108864.4719 301.1066 -161258.0423 -108492.9035 300.5984 145.4223 175.4298 762359.3321 -17.0623 -17.1491 PRESSURE: 1501800 -18.2785 52.2446 200.33 52.2451 250.921 13.6192 200.33 13.6194 367.498 GPRESSURE: 1501800 49.111 3.89703 111.797 27.979 264.367 32.1606 141.332 -87.3048 363.063 PRESSAVG: 1501800 -37.5577 -25.614 6.37497 -25.614 20.5106 -15.7208 6.3749 -15.7208 -13.6279 GPRESSAVG: 1501800 -36.1506 -28.6433 4.91377 -25.2729 20.5785 -16.5488 8.61435 -17.9057 -15.0498 TIMING: 1501800 CPU: 4747.51, 0.00314655/step Wall: 4747.51, 0.00314655/step, 3.05757 hours remaining, 233.503906 MB of memory in use. ENERGY: 1501800 3945.2062 20494.4058 14636.9941 260.0433 -203267.8122 2893.0480 0.0000 0.0000 51955.5287 -109082.5862 298.5891 -161038.1148 -108719.0938 299.5829 200.0469 225.5138 762765.0994 -10.2250 -10.2073 PRESSURE: 1502000 -99.2842 -246.36 -329.69 -246.36 -163.287 99.4959 -329.69 99.4965 -191.829 GPRESSURE: 1502000 -52.4223 -176.805 -284.616 -272.528 -106.639 112.475 -275.471 33.5345 -207.87 PRESSAVG: 1502000 -59.4618 -87.7714 11.0046 -87.7714 54.5755 41.7291 11.0046 41.7291 3.98772 GPRESSAVG: 1502000 -60.2317 -87.1454 13.0349 -85.6231 55.0062 43.8995 9.04306 42.1009 4.24151 TIMING: 1502000 CPU: 4748.13, 0.00314295/step Wall: 4748.13, 0.00314296/step, 3.0539 hours remaining, 233.503906 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: 1502000 3964.4101 20517.5320 14552.5614 230.4354 -202827.1431 2225.2722 0.0000 0.0000 52176.3037 -109160.6282 299.8579 -161336.9319 -108807.4137 299.4611 -151.4667 -122.3106 762877.2892 -0.2995 -0.3280 PRESSURE: 1502200 -156.925 -120.328 91.8062 -120.329 -520.227 111.249 91.8061 111.249 -379.456 GPRESSURE: 1502200 -117.051 -124.678 38.3066 -64.8215 -516.417 77.3203 -27.1704 -79.4173 -329.093 PRESSAVG: 1502200 -25.6658 -47.9391 18.0957 -47.9391 -13.8096 -4.22784 18.0957 -4.22778 19.4663 GPRESSAVG: 1502200 -25.3081 -50.5286 16.8216 -47.8286 -14.1219 -6.50889 20.1405 -5.31098 19.9626 TIMING: 1502200 CPU: 4748.76, 0.00315223/step Wall: 4748.76, 0.00315223/step, 3.06274 hours remaining, 233.503906 MB of memory in use. ENERGY: 1502200 4133.9491 20584.0195 14573.2951 231.2990 -203013.3739 2514.4376 0.0000 0.0000 51988.6759 -108987.6977 298.7796 -160976.3735 -108630.2971 299.5130 -352.2029 -320.8535 764687.6542 -6.6697 -6.4891 PRESSURE: 1502400 34.7158 94.1923 82.5309 94.1932 122.44 26.0072 82.5308 26.0072 512.564 GPRESSURE: 1502400 52.372 41.6833 11.796 117.378 148.672 11.6185 113.699 120.676 551.745 PRESSAVG: 1502400 16.3457 -90.0965 -13.9899 -90.0965 31.4367 0.377582 -13.9899 0.377498 -8.09829 GPRESSAVG: 1502400 15.2177 -88.1346 -12.7816 -91.8364 32.2021 0.677167 -15.5085 1.35439 -7.4117 TIMING: 1502400 CPU: 4749.39, 0.00314822/step Wall: 4749.39, 0.00314822/step, 3.05867 hours remaining, 233.503906 MB of memory in use. ENERGY: 1502400 3960.8266 20566.0125 14567.8113 227.8643 -203462.1207 2811.6019 0.0000 0.0000 52333.3083 -108994.6958 300.7602 -161328.0041 -108633.1884 299.8002 223.2397 250.9296 761676.0429 13.2280 13.3360 PRESSURE: 1502600 114.264 -31.0913 31.1581 -31.0922 -30.1708 166.229 31.1575 166.231 -418.538 GPRESSURE: 1502600 89.2893 -54.7705 -16.8108 86.2065 56.3683 -4.48501 68.7178 227.069 -396.78 PRESSAVG: 1502600 -39.4091 -10.9632 -26.5031 -10.9632 26.9371 70.5099 -26.5031 70.51 1.96719 GPRESSAVG: 1502600 -38.2081 -9.6692 -28.5702 -9.0235 26.8121 70.2854 -25.12 71.4337 1.32669 TIMING: 1502600 CPU: 4750.02, 0.00313925/step Wall: 4750.02, 0.00313924/step, 3.04978 hours remaining, 233.503906 MB of memory in use. ENERGY: 1502600 4090.2677 20405.2436 14600.0396 242.4989 -203063.6925 2713.7043 0.0000 0.0000 52367.5606 -108644.3777 300.9571 -161011.9383 -108279.8112 300.5816 -111.4815 -83.7073 763507.6503 -3.5016 -3.3564 PRESSURE: 1502800 -177.423 -224.989 43.9996 -224.989 -451.508 -120.628 43.9991 -120.629 -238.137 GPRESSURE: 1502800 -165.907 -185.372 142.871 -82.6826 -329.062 -87.5098 81.7723 -72.24 -278.406 PRESSAVG: 1502800 21.0924 -33.3651 8.98107 -33.3651 -35.8299 25.6313 8.98109 25.6313 -13.4331 GPRESSAVG: 1502800 19.9341 -35.2487 9.68882 -32.5899 -35.3751 25.5479 8.22945 25.1748 -12.9699 TIMING: 1502800 CPU: 4750.65, 0.00316162/step Wall: 4750.65, 0.00316162/step, 3.07134 hours remaining, 233.503906 MB of memory in use. ENERGY: 1502800 4007.9828 20501.8113 14567.0458 256.4195 -202993.4310 2525.1177 0.0000 0.0000 52326.2165 -108808.8374 300.7195 -161135.0539 -108435.5385 300.6717 -289.0229 -257.7916 762363.7195 -9.3902 -9.4703 PRESSURE: 1503000 283.788 159.949 -286.845 159.948 229.678 75.0286 -286.844 75.029 16.1478 GPRESSURE: 1503000 323.149 74.2997 -277.926 61.5386 256.402 35.8859 -415.745 231.613 32.9072 PRESSAVG: 1503000 19.4528 14.0555 -30.18 14.0556 -58.3876 -5.01619 -30.1799 -5.01627 7.23699 GPRESSAVG: 1503000 20.1387 15.803 -29.6911 12.3134 -57.2804 -4.82681 -30.3426 -4.30467 5.39744 TIMING: 1503000 CPU: 4751.28, 0.00314138/step Wall: 4751.28, 0.00314138/step, 3.0515 hours remaining, 233.503906 MB of memory in use. ENERGY: 1503000 3961.5018 20471.9613 14613.1648 229.2007 -203336.5320 2648.7364 0.0000 0.0000 52433.2794 -108978.6876 301.3348 -161411.9670 -108606.2329 299.6808 176.5381 204.1526 761351.2864 -10.5659 -10.5814 PRESSURE: 1503200 13.7655 63.1151 259.82 63.1164 -350.627 65.5104 259.82 65.5103 -235.812 GPRESSURE: 1503200 -80.422 176.372 274.605 3.92125 -221.811 38.7916 245.547 171.66 -183.184 PRESSAVG: 1503200 -26.3609 6.43888 -24.2826 6.43888 -8.74372 41.267 -24.2826 41.2671 10.0187 GPRESSAVG: 1503200 -27.958 5.60114 -23.5863 7.01087 -10.1329 42.5186 -25.1321 40.2747 12.8894 TIMING: 1503200 CPU: 4751.91, 0.00313329/step Wall: 4751.91, 0.00313329/step, 3.04347 hours remaining, 233.503906 MB of memory in use. ENERGY: 1503200 4056.6616 20649.9951 14528.3771 255.2050 -203268.7109 2682.7207 0.0000 0.0000 52117.7014 -108978.0499 299.5211 -161095.7513 -108628.3565 299.8895 -190.8909 -161.8057 763058.5316 -8.3620 -8.4005 PRESSURE: 1503400 -200.255 154.4 -9.20203 154.4 29.1836 -99.9561 -9.20223 -99.9555 21.1783 GPRESSURE: 1503400 -125.067 217.34 -91.9513 29.4142 53.75 -175.462 -21.7765 -59.9148 15.1951 PRESSAVG: 1503400 70.8411 -12.6708 -21.6081 -12.6708 -24.9579 45.0056 -21.608 45.0057 -0.693879 GPRESSAVG: 1503400 73.222 -15.3021 -22.0246 -12.4036 -24.6494 46.4895 -20.5874 43.5243 -2.42686 TIMING: 1503400 CPU: 4752.54, 0.00314462/step Wall: 4752.54, 0.00314462/step, 3.0543 hours remaining, 233.503906 MB of memory in use. ENERGY: 1503400 3962.0127 20652.7084 14713.3702 244.3828 -202919.4216 2431.6765 0.0000 0.0000 52006.4023 -108908.8687 298.8815 -160915.2710 -108549.8749 300.5499 -49.9643 -18.7073 761455.4342 15.0631 15.3819 PRESSURE: 1503600 110.908 -81.6795 102.033 -81.6801 310.047 -119.702 102.033 -119.702 -89.6477 GPRESSURE: 1503600 217.665 -102.641 39.3694 -168.773 264.164 -93.3263 18.3547 -27.9037 -70.5725 PRESSAVG: 1503600 -13.2826 36.505 28.1213 36.5049 2.6911 38.7716 28.1213 38.7715 -25.0713 GPRESSAVG: 1503600 -13.0856 38.3615 30.0489 36.8741 2.35493 37.3881 25.9688 40.6413 -24.8249 TIMING: 1503600 CPU: 4753.17, 0.00315473/step Wall: 4753.17, 0.00315473/step, 3.06394 hours remaining, 233.503906 MB of memory in use. ENERGY: 1503600 3959.9504 20527.2667 14499.8052 256.1828 -203145.2148 2664.6982 0.0000 0.0000 52272.8738 -108964.4377 300.4129 -161237.3115 -108607.3468 300.2204 110.4356 137.0857 762374.7047 -11.8876 -11.8518 PRESSURE: 1503800 -163.57 -82.0801 108.238 -82.0801 232.142 260.2 108.238 260.199 -114.419 GPRESSURE: 1503800 -26.6368 -139.886 64.5863 16.494 169.605 265.688 226.005 204.239 -98.151 PRESSAVG: 1503800 3.45278 -31.4972 25.9522 -31.4972 -6.01821 49.175 25.9521 49.175 14.293 GPRESSAVG: 1503800 4.04931 -31.5143 25.1085 -33.572 -5.9189 49.5954 27.2239 50.5176 13.7886 TIMING: 1503800 CPU: 4753.8, 0.00315956/step Wall: 4753.8, 0.00315956/step, 3.06846 hours remaining, 233.503906 MB of memory in use. ENERGY: 1503800 3930.9052 20455.7704 14588.5334 224.8771 -203252.4281 2502.0653 0.0000 0.0000 52555.0636 -108995.2131 302.0347 -161550.2768 -108626.1158 300.1344 -15.2824 14.9392 762834.0715 3.9092 3.9730 PRESSURE: 1504000 -129.725 63.2473 -158.479 63.2465 -18.08 -61.3686 -158.479 -61.3678 -274.279 GPRESSURE: 1504000 -123.5 111.677 -104.335 20.5287 59.385 -84.7473 -98.3416 12.0154 -257.449 PRESSAVG: 1504000 -38.4683 -13.0446 11.8008 -13.0447 59.6391 12.6727 11.8008 12.6727 19.669 GPRESSAVG: 1504000 -38.6485 -12.4034 11.8038 -11.84 60.3304 13.2675 12.4231 11.1988 19.2147 TIMING: 1504000 CPU: 4754.43, 0.00315288/step Wall: 4754.43, 0.00315288/step, 3.0618 hours remaining, 233.503906 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: 1504000 4078.0813 20405.8701 14622.3023 246.6645 -202763.2784 2477.5648 0.0000 0.0000 51925.7003 -109007.0950 298.4177 -160932.7953 -108635.6647 299.7593 -140.6948 -107.1877 762724.9956 13.6133 13.6322 PRESSURE: 1504200 -270.51 154.277 -93.7349 154.277 -8.60917 -135.88 -93.7343 -135.88 -22.3964 GPRESSURE: 1504200 -258.13 149.491 -186.567 69.9357 56.4842 -195.86 -118.678 -89.3807 -47.1644 PRESSAVG: 1504200 -45.2166 -40.7895 -14.554 -40.7895 33.649 10.8385 -14.554 10.8386 15.4442 GPRESSAVG: 1504200 -45.9448 -40.9246 -13.9716 -41.5564 33.8082 9.01762 -15.951 11.6384 15.899 TIMING: 1504200 CPU: 4755.06, 0.00313943/step Wall: 4755.06, 0.00313943/step, 3.04856 hours remaining, 233.503906 MB of memory in use. ENERGY: 1504200 3998.9789 20591.7643 14652.8406 238.3555 -203181.2541 2610.4483 0.0000 0.0000 52168.2165 -108920.6500 299.8115 -161088.8665 -108570.1991 300.0175 -100.5052 -82.9367 762901.6466 1.2922 1.2541 LDB: ============= START OF LOAD BALANCING ============== 4767.59 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4767.59 LDB: =============== DONE WITH MIGRATION ================ 4767.59 LDB: ============= START OF LOAD BALANCING ============== 4767.91 LDB: Largest compute 7037 load 0.031567 is 16.2% of average load 0.195427 LDB: Average compute 0.004385 is 2.2% of average load 0.195427 LDB: TIME 4767.91 LOAD: AVG 0.195427 MAX 0.216119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.789 MB LDB: TIME 4767.91 LOAD: AVG 0.195427 MAX 0.216119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: TIME 4767.91 LOAD: AVG 0.195427 MAX 0.216119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.789 MB LDB: ============== END OF LOAD BALANCING =============== 4767.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4767.92 PRESSURE: 1504400 -102.48 -223.794 113.95 -223.795 114.551 -90.3898 113.95 -90.389 -6.23397 GPRESSURE: 1504400 -70.6611 -155.393 208.151 -140.042 190.306 -64.9981 37.1056 -64.3093 -25.0558 PRESSAVG: 1504400 -20.0222 -28.9312 -33.4648 -28.9311 53.8662 9.24485 -33.4648 9.24483 -2.99756 GPRESSAVG: 1504400 -20.518 -28.9893 -33.5666 -27.2519 54.3442 11.7309 -31.8828 7.68602 -2.87527 TIMING: 1504400 CPU: 4755.7, 0.0032159/step Wall: 4755.7, 0.0032159/step, 3.12264 hours remaining, 236.121094 MB of memory in use. ENERGY: 1504400 3946.8081 20471.1547 14567.2741 237.2115 -203037.5075 2593.6838 0.0000 0.0000 52052.5369 -109168.8384 299.1466 -161221.3753 -108801.8767 299.9995 1.9455 31.5297 762619.2291 10.2821 10.3170 PRESSURE: 1504600 330.078 -61.4597 -219.444 -61.4591 -337.542 112.785 -219.444 112.786 303.7 GPRESSURE: 1504600 342.134 -150.124 -246.532 -183.578 -272.342 130.372 -142.16 232.852 312.796 PRESSAVG: 1504600 34.0545 -7.99583 58.397 -7.99584 -9.56574 -14.0223 58.397 -14.0223 21.2509 GPRESSAVG: 1504600 33.2947 -9.1803 58.3836 -11.4616 -10.4267 -14.2016 57.5251 -13.3554 23.0609 TIMING: 1504600 CPU: 4756.33, 0.00315376/step Wall: 4756.33, 0.00315376/step, 3.06213 hours remaining, 236.121094 MB of memory in use. ENERGY: 1504600 4021.6818 20621.3583 14593.2368 235.9618 -203664.0326 2804.4918 0.0000 0.0000 52290.9959 -109096.3062 300.5171 -161387.3021 -108734.8034 299.8193 98.7450 127.5293 763878.2989 15.2466 15.3096 PRESSURE: 1504800 -98.5385 -17.6794 -25.3325 -17.6784 -4.67119 -127.078 -25.3313 -127.078 -159.385 GPRESSURE: 1504800 -58.8413 -98.5328 -53.1286 -18.2711 -19.5529 -112.721 -36.8059 -84.4436 -79.47 PRESSAVG: 1504800 -19.1017 14.7334 -39.4555 14.7334 34.9557 21.3448 -39.4555 21.3448 -6.32476 GPRESSAVG: 1504800 -17.8088 15.8778 -40.5119 18.1434 34.7373 18.4402 -38.2206 22.6147 -6.71917 TIMING: 1504800 CPU: 4756.96, 0.00315728/step Wall: 4756.96, 0.00315728/step, 3.06537 hours remaining, 236.324219 MB of memory in use. ENERGY: 1504800 3946.1623 20502.0240 14534.0946 240.1861 -203007.1371 2587.0360 0.0000 0.0000 52129.3609 -109068.2732 299.5882 -161197.6341 -108715.1366 300.2313 -87.5314 -52.6214 763740.6390 3.1764 3.4031 PRESSURE: 1505000 97.5249 163.277 -164.241 163.277 -131.174 34.0354 -164.241 34.0367 -111.627 GPRESSURE: 1505000 139.304 113.337 -200.996 79.688 -100.759 122.848 -138.244 -11.1183 -87.1053 PRESSAVG: 1505000 -36.7201 -37.9474 -28.9144 -37.9475 47.8148 -8.27946 -28.9143 -8.27937 -31.8408 GPRESSAVG: 1505000 -37.6601 -39.1146 -29.375 -38.6474 48.4829 -5.84276 -29.67 -10.8246 -31.8408 TIMING: 1505000 CPU: 4757.59, 0.00314531/step Wall: 4757.59, 0.00314531/step, 3.05357 hours remaining, 236.324219 MB of memory in use. ENERGY: 1505000 3954.6694 20461.1644 14603.6203 229.1920 -202936.0051 2476.6971 0.0000 0.0000 51907.1553 -109303.5065 298.3111 -161210.6618 -108943.5406 299.3103 -48.4252 -16.1865 763320.0226 -6.9154 -7.0060 PRESSURE: 1505200 78.5679 -40.1822 -133.923 -40.182 43.1623 258.328 -133.922 258.327 9.50572 GPRESSURE: 1505200 39.3273 18.8997 -124.902 -141.547 150.413 203.028 -154.569 290.085 24.744 PRESSAVG: 1505200 -26.5922 -68.0344 -93.1798 -68.0344 1.82323 22.9626 -93.1798 22.9627 1.45593 GPRESSAVG: 1505200 -26.555 -68.1302 -90.7328 -69.6614 2.13036 22.0152 -92.4974 27.0874 1.10923 TIMING: 1505200 CPU: 4758.22, 0.0031527/step Wall: 4758.22, 0.0031527/step, 3.06057 hours remaining, 236.324219 MB of memory in use. ENERGY: 1505200 3953.9751 20518.5779 14573.9444 252.3796 -203273.1604 2744.6870 0.0000 0.0000 51879.7935 -109349.8030 298.1539 -161229.5965 -108993.3015 298.5895 43.7453 71.4949 763911.6784 -7.7710 -7.7718 PRESSURE: 1505400 135.448 -293.085 -197.893 -293.085 -10.1566 57.3489 -197.894 57.3498 -321.513 GPRESSURE: 1505400 203.234 -314.761 -140.344 -298.54 17.8862 21.1195 -106.625 24.139 -327.814 PRESSAVG: 1505400 -22.3904 -38.8952 -8.8399 -38.8952 10.7248 -37.0172 -8.83994 -37.0172 -3.40548 GPRESSAVG: 1505400 -23.1756 -38.7654 -11.5032 -38.2882 11.9202 -37.0602 -9.55282 -40.2121 -4.05486 TIMING: 1505400 CPU: 4758.85, 0.00315198/step Wall: 4758.85, 0.00315198/step, 3.05969 hours remaining, 236.527344 MB of memory in use. ENERGY: 1505400 3931.7626 20597.9970 14585.1698 246.4357 -203321.0047 2513.2552 0.0000 0.0000 52112.4073 -109333.9772 299.4907 -161446.3844 -108987.2292 298.9173 -65.4070 -35.5646 764356.2720 -5.0237 -5.1034 PRESSURE: 1505600 -22.1569 -179.627 159.807 -179.627 44.8713 112.81 159.807 112.81 -338.626 GPRESSURE: 1505600 6.91206 -200.285 160.513 -118.114 82.1178 124.207 29.723 145.536 -332.872 PRESSAVG: 1505600 -24.4412 -30.1577 -13.4092 -30.1577 23.0627 20.4631 -13.4091 20.4631 6.42076 GPRESSAVG: 1505600 -23.4247 -30.0978 -11.7026 -29.0425 21.3675 20.1554 -14.8645 21.3656 7.6932 TIMING: 1505600 CPU: 4759.49, 0.00316512/step Wall: 4759.49, 0.00316512/step, 3.07227 hours remaining, 236.527344 MB of memory in use. ENERGY: 1505600 4098.1929 20500.2681 14565.0985 235.2242 -203302.9851 2637.9281 0.0000 0.0000 51841.0423 -109425.2312 297.9312 -161266.2734 -109059.3710 298.9538 -105.3039 -81.2807 763293.5184 1.6808 1.8787 PRESSURE: 1505800 455.886 -59.1168 37.1976 -59.1177 154.442 -152.143 37.1973 -152.143 184.659 GPRESSURE: 1505800 499.132 -90.2518 98.1385 -74.6391 207.488 -140.027 12.709 -122.404 180.631 PRESSAVG: 1505800 -24.0428 -37.014 26.2778 -37.014 4.01788 -23.8542 26.2779 -23.8542 -5.07356 GPRESSAVG: 1505800 -24.807 -37.2195 26.5269 -36.8631 4.53809 -23.5125 28.1876 -24.7419 -5.07516 TIMING: 1505800 CPU: 4760.12, 0.00316857/step Wall: 4760.12, 0.00316857/step, 3.07545 hours remaining, 236.597656 MB of memory in use. ENERGY: 1505800 3891.0986 20439.7710 14606.6260 271.6523 -203216.3040 2706.8845 0.0000 0.0000 52167.9419 -109132.3297 299.8099 -161300.2716 -108757.6283 299.4058 264.9955 295.7504 763736.3979 -8.3662 -8.4480 PRESSURE: 1506000 89.696 -428.62 -55.5727 -428.62 101.833 -124.094 -55.5719 -124.094 -598.603 GPRESSURE: 1506000 152.082 -399.694 -105.354 -306.695 97.7285 -127.767 42.3579 -37.5916 -587.262 PRESSAVG: 1506000 61.8646 -42.2487 30.7914 -42.2486 -34.263 -8.48173 30.7914 -8.48166 -19.4848 GPRESSAVG: 1506000 61.8996 -41.6203 28.8353 -42.4085 -34.7145 -8.2479 30.6331 -8.2835 -19.6957 TIMING: 1506000 CPU: 4760.75, 0.00315521/step Wall: 4760.75, 0.00315521/step, 3.0623 hours remaining, 236.597656 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: 1506000 4007.0067 20752.9442 14591.1586 262.0519 -203305.8786 2661.6164 0.0000 0.0000 52123.1467 -108907.9541 299.5524 -161031.1008 -108550.8751 300.2797 -135.6913 -112.4836 762551.6501 2.7056 2.4965 PRESSURE: 1506200 -138.643 -137.77 -44.261 -137.77 -265.346 84.5924 -44.2608 84.5932 220.556 GPRESSURE: 1506200 -107.52 31.3453 -45.6774 -41.6782 -264.278 56.7026 21.9439 7.85702 289.333 PRESSAVG: 1506200 -29.5384 -77.6343 70.0931 -77.6343 -21.4927 -12.6466 70.0932 -12.6466 -30.4341 GPRESSAVG: 1506200 -30.337 -78.6959 70.5727 -78.9435 -21.6713 -11.6396 68.5848 -10.5238 -29.365 TIMING: 1506200 CPU: 4761.38, 0.0031629/step Wall: 4761.38, 0.0031629/step, 3.0696 hours remaining, 236.597656 MB of memory in use. ENERGY: 1506200 4073.8034 20506.4281 14616.4681 268.6236 -202781.0932 2374.9626 0.0000 0.0000 52177.1125 -108763.6949 299.8626 -160940.8074 -108392.8614 300.1922 -61.1444 -27.4880 763447.4222 -27.1551 -27.1244 PRESSURE: 1506400 217.909 101.6 90.3409 101.6 55.0347 192.257 90.342 192.258 -419.114 GPRESSURE: 1506400 173.689 126.75 131.84 142.793 130.285 182.635 46.6079 38.2142 -362.654 PRESSAVG: 1506400 43.6652 2.17939 -28.9424 2.17938 -45.0056 40.0986 -28.9423 40.0986 -1.25965 GPRESSAVG: 1506400 44.56 2.1913 -28.2313 3.10904 -45.7047 38.2095 -27.7059 38.7728 -1.50135 TIMING: 1506400 CPU: 4762.01, 0.00312963/step Wall: 4762.01, 0.00312963/step, 3.03713 hours remaining, 236.597656 MB of memory in use. ENERGY: 1506400 4104.0472 20465.8803 14605.4626 252.7239 -203095.7409 2679.5018 0.0000 0.0000 52195.0946 -108793.0306 299.9659 -160988.1252 -108428.3725 300.1186 -48.7234 -19.5603 762493.5113 -0.8667 -0.8820 PRESSURE: 1506600 367.719 207.392 -88.7433 207.392 137.238 119.39 -88.7433 119.392 -44.8955 GPRESSURE: 1506600 360.909 133.635 -103.642 179.648 176.902 153.162 -61.5523 23.6363 -5.77003 PRESSAVG: 1506600 48.1048 -68.0202 3.33558 -68.0202 -39.4865 27.7534 3.33556 27.7533 1.29219 GPRESSAVG: 1506600 47.6753 -65.7943 3.50445 -66.5931 -39.3184 27.8733 4.52445 27.7039 1.45581 TIMING: 1506600 CPU: 4762.64, 0.00314701/step Wall: 4762.64, 0.00314701/step, 3.05383 hours remaining, 236.597656 MB of memory in use. ENERGY: 1506600 4016.9975 20596.0976 14619.3316 251.8481 -203269.8798 2862.6994 0.0000 0.0000 52082.0922 -108840.8134 299.3165 -160922.9056 -108482.8037 300.2690 153.3538 177.3472 763303.0848 3.3035 3.2709 PRESSURE: 1506800 -82.9616 72.2346 7.91983 72.2342 63.3257 273.985 7.92006 273.985 -320.452 GPRESSURE: 1506800 -23.8209 46.9502 60.9153 -60.1495 49.5625 376.771 48.0378 198.055 -279.77 PRESSAVG: 1506800 -27.3462 39.4999 13.1186 39.4999 35.9103 57.6486 13.1186 57.6487 -1.78911 GPRESSAVG: 1506800 -26.6354 39.1961 12.9059 37.3758 36.3938 57.789 13.562 58.4472 -3.54649 TIMING: 1506800 CPU: 4763.27, 0.00316039/step Wall: 4763.27, 0.00316039/step, 3.06663 hours remaining, 236.597656 MB of memory in use. ENERGY: 1506800 4051.7727 20456.5548 14624.0077 232.5555 -203160.9263 2661.7797 0.0000 0.0000 52113.6018 -109020.6542 299.4976 -161134.2559 -108649.7942 299.8683 -113.3627 -84.6761 762851.7868 2.2583 2.0706 PRESSURE: 1507000 16.8156 -74.1449 78.2434 -74.1456 305.878 -39.3166 78.2426 -39.3168 456.139 GPRESSURE: 1507000 42.4873 -117.735 42.5775 -7.44499 316.96 -77.7018 115.187 -81.0302 518.578 PRESSAVG: 1507000 31.9755 -16.205 44.854 -16.205 -57.397 -20.9668 44.854 -20.9669 9.50082 GPRESSAVG: 1507000 32.2164 -17.2426 44.8488 -16.5336 -57.6735 -21.2005 44.1859 -22.3177 10.1941 TIMING: 1507000 CPU: 4763.9, 0.00315989/step Wall: 4763.9, 0.00315989/step, 3.06597 hours remaining, 236.597656 MB of memory in use. ENERGY: 1507000 4020.5291 20428.3247 14640.0629 263.3877 -203368.3497 2938.9256 0.0000 0.0000 52162.5006 -108914.6192 299.7786 -161077.1197 -108551.6964 299.5358 259.6107 292.6753 760311.7122 -5.3069 -5.0877 PRESSURE: 1507200 61.4952 147.132 109.482 147.132 -14.7379 19.4043 109.482 19.4046 -20.8082 GPRESSURE: 1507200 75.1587 210.357 50.892 66.1452 -4.57088 -53.6014 55.6276 -47.3824 40.0551 PRESSAVG: 1507200 29.1792 20.4188 14.4934 20.4188 -21.1691 12.441 14.4934 12.441 15.4934 GPRESSAVG: 1507200 28.4959 21.5659 14.1753 19.6402 -21.497 10.9834 14.305 13.0825 15.9608 TIMING: 1507200 CPU: 4764.54, 0.00316554/step Wall: 4764.54, 0.00316554/step, 3.07127 hours remaining, 236.597656 MB of memory in use. ENERGY: 1507200 3993.1327 20629.1427 14541.7683 241.3858 -203174.2824 2745.2732 0.0000 0.0000 51980.1540 -109043.4256 298.7307 -161023.5796 -108682.0377 300.0927 8.6497 36.8810 762055.4073 7.8345 7.6532 PRESSURE: 1507400 -4.18379 -10.1437 -79.3361 -10.1435 -262.942 -110.612 -79.3357 -110.612 203.624 GPRESSURE: 1507400 -114.845 9.84774 -49.7381 -38.9213 -131.513 -43.2223 31.6516 -8.27969 244.629 PRESSAVG: 1507400 44.8277 8.29997 48.8863 8.29997 -38.1657 -6.64842 48.8863 -6.64839 31.5893 GPRESSAVG: 1507400 45.619 8.61076 49.5541 10.8343 -38.1003 -4.85734 48.5034 -5.98531 29.9056 TIMING: 1507400 CPU: 4765.17, 0.00314542/step Wall: 4765.17, 0.00314542/step, 3.05158 hours remaining, 236.597656 MB of memory in use. ENERGY: 1507400 3941.3360 20528.2219 14571.3221 248.8527 -202923.8417 2328.3803 0.0000 0.0000 52089.5343 -109216.1944 299.3593 -161305.7287 -108844.4140 299.3947 -21.1671 -0.5764 763626.1238 12.7504 12.4748 PRESSURE: 1507600 332.917 -172.272 -166.741 -172.272 -1.51678 -4.70397 -166.74 -4.70302 -277.033 GPRESSURE: 1507600 360.737 -186.667 -155.718 -126.004 14.4429 -14.0155 -158.274 34.3296 -244.147 PRESSAVG: 1507600 32.8587 -25.7256 43.6563 -25.7256 -49.9204 -27.1128 43.6563 -27.1128 -15.3125 GPRESSAVG: 1507600 32.0736 -25.4918 43.6554 -26.5391 -50.5802 -26.8923 44.503 -27.6683 -14.2559 TIMING: 1507600 CPU: 4765.79, 0.00314226/step Wall: 4765.79, 0.00314226/step, 3.04834 hours remaining, 236.597656 MB of memory in use. ENERGY: 1507600 3931.0018 20536.9215 14608.0781 235.2054 -203213.6938 2721.6154 0.0000 0.0000 51925.5805 -109255.2911 298.4170 -161180.8716 -108892.3143 299.1475 18.1226 43.6777 763378.4835 -10.7914 -10.9208 PRESSURE: 1507800 -92.1087 -72.4263 -91.9479 -72.4265 215.834 144.237 -91.9478 144.238 -14.8396 GPRESSURE: 1507800 -81.6084 -17.2452 -1.16615 -167.279 264.67 21.2725 -11.8972 189.558 11.0663 PRESSAVG: 1507800 7.23425 -39.086 63.9369 -39.0859 22.0473 -39.1483 63.9369 -39.1484 10.4606 GPRESSAVG: 1507800 7.66725 -38.666 64.4657 -40.3238 20.873 -37.8414 65.1512 -39.3542 11.0123 TIMING: 1507800 CPU: 4766.42, 0.00314176/step Wall: 4766.42, 0.00314176/step, 3.04768 hours remaining, 236.597656 MB of memory in use. ENERGY: 1507800 3981.2423 20524.2949 14638.0501 263.8324 -203558.9547 3046.8673 0.0000 0.0000 51865.9045 -109238.7633 298.0741 -161104.6678 -108877.5124 298.9196 36.2952 64.7092 764492.3173 13.2474 13.1842 PRESSURE: 1508000 181.011 -80.2759 48.4179 -80.2757 -311.419 16.6559 48.4178 16.6566 458.878 GPRESSURE: 1508000 189.541 -106.271 47.4154 -73.6239 -140.249 -25.2565 60.0379 105.955 368.616 PRESSAVG: 1508000 -0.574855 -19.0923 12.8929 -19.0923 8.15363 -6.08487 12.8928 -6.08478 -14.204 GPRESSAVG: 1508000 -0.676859 -19.435 11.9317 -16.6763 8.70358 -8.73026 10.274 -6.45526 -14.9293 TIMING: 1508000 CPU: 4767.05, 0.00314877/step Wall: 4767.05, 0.00314877/step, 3.05431 hours remaining, 236.597656 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: 1508000 3961.9045 20282.2922 14535.6263 266.6342 -203494.7996 2747.4759 0.0000 0.0000 52296.1922 -109404.6743 300.5469 -161700.8665 -109041.2990 299.2494 109.4899 139.3029 762871.0680 -2.2084 -2.3009 PRESSURE: 1508200 214.1 -138.113 -25.8054 -138.113 -66.3238 -35.0589 -25.8058 -35.0585 -133.816 GPRESSURE: 1508200 190.339 -198.198 -106.629 -7.81522 16.6775 -0.65776 71.4915 -112.076 -112.972 PRESSAVG: 1508200 24.3893 -38.2522 25.1135 -38.2521 -97.8932 -33.2179 25.1135 -33.218 -1.07887 GPRESSAVG: 1508200 26.127 -38.3317 26.4388 -39.2475 -98.106 -32.0533 26.0536 -33.0756 -1.98665 TIMING: 1508200 CPU: 4767.68, 0.00314674/step Wall: 4767.68, 0.00314674/step, 3.05216 hours remaining, 236.597656 MB of memory in use. ENERGY: 1508200 4017.2853 20571.5806 14542.8477 256.0707 -203540.9879 2926.6052 0.0000 0.0000 51970.2006 -109256.3978 298.6735 -161226.5983 -108898.4893 298.9812 4.6537 31.3485 763247.7087 -24.8609 -24.6552 LDB: ============= START OF LOAD BALANCING ============== 4780.21 LDB: ============== END OF LOAD BALANCING =============== 4780.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4780.21 LDB: ============= START OF LOAD BALANCING ============== 4780.53 LDB: Largest compute 7041 load 0.030435 is 15.6% of average load 0.195333 LDB: Average compute 0.004401 is 2.3% of average load 0.195333 LDB: TIME 4780.53 LOAD: AVG 0.195333 MAX 0.212738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.609 MB LDB: TIME 4780.53 LOAD: AVG 0.195333 MAX 0.212738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: TIME 4780.53 LOAD: AVG 0.195333 MAX 0.212738 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: ============== END OF LOAD BALANCING =============== 4780.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4780.54 PRESSURE: 1508400 -192.484 147.484 -32.4012 147.483 -240.593 -257.41 -32.4011 -257.41 -285.637 GPRESSURE: 1508400 -188.959 176.039 -99.2544 73.939 -179.23 -238.315 94.2811 -138.946 -273.314 PRESSAVG: 1508400 -25.9603 -5.47125 -11.4003 -5.4713 47.6221 -1.58743 -11.4003 -1.58744 31.2348 GPRESSAVG: 1508400 -28.465 -6.63998 -11.6314 -5.04855 49.062 -1.90386 -11.7602 -2.32001 31.9946 TIMING: 1508400 CPU: 4768.32, 0.00320649/step Wall: 4768.32, 0.00320649/step, 3.10994 hours remaining, 234.636719 MB of memory in use. ENERGY: 1508400 3943.7112 20561.2428 14430.9609 237.8065 -202938.9431 2352.9384 0.0000 0.0000 52118.5577 -109293.7255 299.5261 -161412.2832 -108923.7730 299.2382 -239.5710 -213.8344 762526.9082 17.6322 17.5305 PRESSURE: 1508600 -152.912 -170.223 -99.6297 -170.224 44.7328 62.8358 -99.6307 62.8358 -378.175 GPRESSURE: 1508600 -117.366 -256.969 -125.285 -47.9527 76.4644 53.7022 -103.92 38.8558 -368.368 PRESSAVG: 1508600 -35.2267 14.9468 66.3979 14.9469 -1.58768 -39.6187 66.3979 -39.6187 -13.3347 GPRESSAVG: 1508600 -35.1358 15.8508 65.3508 14.1631 -3.11834 -39.2969 68.9816 -40.2529 -12.0465 TIMING: 1508600 CPU: 4768.95, 0.0031396/step Wall: 4768.95, 0.0031396/step, 3.04489 hours remaining, 234.636719 MB of memory in use. ENERGY: 1508600 3987.3664 20445.7631 14519.7297 223.8146 -203279.6810 2703.6601 0.0000 0.0000 51979.1199 -109420.2271 298.7247 -161399.3470 -109051.2617 298.6488 -162.1180 -136.4233 763722.6539 -16.7163 -16.7669 PRESSURE: 1508800 142.585 229.295 45.5588 229.295 -184.156 -204.243 45.5586 -204.243 -164.42 GPRESSURE: 1508800 113.802 83.1501 66.096 302.088 -66.7865 -189.136 -6.2776 -97.8096 -157.444 PRESSAVG: 1508800 68.1356 25.538 13.7644 25.538 -66.3494 -61.3672 13.7643 -61.3672 11.2489 GPRESSAVG: 1508800 69.1439 24.5879 13.2643 25.4031 -65.8396 -60.1877 12.8384 -60.4229 10.1942 TIMING: 1508800 CPU: 4769.58, 0.00314311/step Wall: 4769.58, 0.00314311/step, 3.04812 hours remaining, 234.761719 MB of memory in use. ENERGY: 1508800 3950.6537 20448.6701 14543.6878 253.6106 -203166.1844 2540.5181 0.0000 0.0000 52120.2446 -109308.7995 299.5358 -161429.0441 -108958.2495 299.1148 -68.6635 -36.8094 759411.9248 4.3451 4.4995 PRESSURE: 1509000 80.4039 -0.184766 -29.8445 -0.186559 -305.198 -51.7777 -29.8456 -51.7769 -99.3901 GPRESSURE: 1509000 14.6337 30.336 25.2728 -20.4558 -209.757 -101.6 -49.2176 -54.2795 -56.0617 PRESSAVG: 1509000 50.3271 -8.66332 7.88732 -8.66337 -75.6679 -29.3355 7.88739 -29.3354 3.7415 GPRESSAVG: 1509000 50.3424 -7.13659 9.17046 -8.38695 -74.8714 -31.4464 5.802 -29.2472 3.65972 TIMING: 1509000 CPU: 4770.21, 0.00313128/step Wall: 4770.21, 0.00313128/step, 3.03647 hours remaining, 234.761719 MB of memory in use. ENERGY: 1509000 3976.3793 20487.3480 14615.6768 234.7798 -203192.1448 2575.7593 0.0000 0.0000 52115.3094 -109186.8922 299.5074 -161302.2016 -108838.5927 299.0921 -108.0614 -83.7282 761372.1110 -7.1998 -6.9565 PRESSURE: 1509200 105.389 -170.009 48.5265 -170.008 8.86105 125.685 48.5267 125.685 240.175 GPRESSURE: 1509200 131.265 -131.292 177.013 -120.215 82.8951 175.511 -102.149 52.7118 202.364 PRESSAVG: 1509200 81.1898 -44.2066 48.4297 -44.2066 -47.1379 -9.70031 48.4297 -9.70036 -15.9271 GPRESSAVG: 1509200 80.0754 -45.558 47.9386 -43.4897 -46.8708 -8.9866 45.0571 -8.44765 -14.0097 TIMING: 1509200 CPU: 4770.83, 0.00312534/step Wall: 4770.83, 0.00312534/step, 3.03054 hours remaining, 234.761719 MB of memory in use. ENERGY: 1509200 3975.2584 20486.4354 14557.3176 245.2915 -203023.3669 2382.3864 0.0000 0.0000 52139.2856 -109237.3919 299.6452 -161376.6775 -108870.4338 299.1637 118.1417 138.8414 761961.8235 6.0416 6.3983 PRESSURE: 1509400 -25.6658 26.2111 -31.3323 26.2123 -139.267 -115.339 -31.3331 -115.337 -117.895 GPRESSURE: 1509400 122.791 -54.5728 28.9413 -52.9097 -191.62 -72.0995 54.4384 -221.314 -122.406 PRESSAVG: 1509400 21.2538 16.5166 -24.2126 16.5166 -23.3558 -12.8239 -24.2126 -12.824 24.3303 GPRESSAVG: 1509400 23.2507 15.3816 -23.3927 16.4641 -23.3455 -12.368 -19.6892 -12.0709 22.619 TIMING: 1509400 CPU: 4771.46, 0.00313083/step Wall: 4771.46, 0.00313083/step, 3.03569 hours remaining, 234.761719 MB of memory in use. ENERGY: 1509400 3979.9685 20522.8774 14517.1276 269.5498 -203224.6221 2626.3220 0.0000 0.0000 51983.3686 -109325.4081 298.7491 -161308.7767 -108964.9302 299.0388 -94.2758 -63.7448 762147.8790 7.4094 7.5081 PRESSURE: 1509600 134.636 123.449 -43.1925 123.449 327.595 -12.7501 -43.1922 -12.7496 339.64 GPRESSURE: 1509600 180.744 178.931 -67.721 69.1455 369.877 -20.4924 14.0174 58.6828 343.962 PRESSAVG: 1509600 2.24044 -51.394 7.58912 -51.394 -76.1338 -43.7207 7.58913 -43.7207 10.7509 GPRESSAVG: 1509600 0.818433 -50.632 6.51989 -51.2477 -76.1601 -43.1172 6.32902 -43.3659 12.1887 TIMING: 1509600 CPU: 4772.09, 0.00314914/step Wall: 4772.09, 0.00314914/step, 3.05327 hours remaining, 234.761719 MB of memory in use. ENERGY: 1509600 4020.4013 20426.6613 14535.1939 232.2938 -203011.6747 2646.9424 0.0000 0.0000 51728.4768 -109421.7052 297.2843 -161150.1820 -109064.4622 298.7398 267.2904 298.1946 762676.9711 -21.0475 -21.0510 PRESSURE: 1509800 -93.7392 -51.7103 80.0045 -51.7108 -3.72669 -152.941 80.0035 -152.942 52.1668 GPRESSURE: 1509800 -89.716 -44.7779 81.2534 7.89651 116.131 -92.2452 132.332 -160.611 13.0896 PRESSAVG: 1509800 11.9118 -51.8868 40.3307 -51.8868 -31.6817 -43.842 40.3307 -43.842 -15.5635 GPRESSAVG: 1509800 13.6712 -51.3788 40.1279 -52.1174 -31.6648 -44.4235 42.9543 -45.5184 -17.2355 TIMING: 1509800 CPU: 4772.72, 0.00314287/step Wall: 4772.72, 0.00314287/step, 3.04701 hours remaining, 234.761719 MB of memory in use. ENERGY: 1509800 4049.6061 20473.1491 14521.9330 240.5371 -203250.6211 2486.4707 0.0000 0.0000 52051.0429 -109427.8821 299.1381 -161478.9250 -109065.9536 299.1247 -15.0997 13.1682 761462.4576 -11.7778 -11.7430 PRESSURE: 1510000 -36.7118 -20.8641 4.19511 -20.8644 -267.536 -299.411 4.19517 -299.41 298.653 GPRESSURE: 1510000 42.9089 9.44853 55.7208 41.5234 -143.184 -324.084 -60.4389 -245.656 188.546 PRESSAVG: 1510000 80.612 -25.2097 19.9249 -25.2098 -60.9796 -49.8492 19.925 -49.8492 -10.5891 GPRESSAVG: 1510000 79.7283 -25.4323 20.3324 -26.6312 -60.9405 -49.5195 16.7518 -48.8948 -10.2944 TIMING: 1510000 CPU: 4773.35, 0.00314591/step Wall: 4773.35, 0.00314591/step, 3.04979 hours remaining, 234.964844 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: 1510000 3920.3082 20394.0821 14622.5420 229.0288 -202952.0933 2463.0494 0.0000 0.0000 52173.1889 -109149.8939 299.8400 -161323.0829 -108787.5420 299.7059 -1.8650 29.4236 761078.3098 3.0144 2.8311 PRESSURE: 1510200 238.911 270.192 -197.989 270.192 118.004 -46.3327 -197.99 -46.3328 -443.175 GPRESSURE: 1510200 256.15 131.455 -307.048 191.427 120.501 -39.6874 -126.58 4.57837 -379.306 PRESSAVG: 1510200 -7.98868 -51.5136 -17.7306 -51.5136 48.5705 -30.1204 -17.7305 -30.1204 13.5345 GPRESSAVG: 1510200 -8.47883 -52.4868 -18.3786 -49.5439 48.0964 -31.7295 -16.7562 -30.1559 14.3467 TIMING: 1510200 CPU: 4773.97, 0.00313437/step Wall: 4773.97, 0.00313437/step, 3.03842 hours remaining, 234.964844 MB of memory in use. ENERGY: 1510200 3973.5353 20535.0298 14534.8150 257.8897 -202717.8823 2276.2883 0.0000 0.0000 51757.6580 -109382.6662 297.4520 -161140.3242 -109030.1016 299.3651 -28.7534 -0.8849 761344.0870 18.0388 17.9881 PRESSURE: 1510400 -353.619 -18.9352 -177.232 -18.9347 28.1385 -286.676 -177.231 -286.677 1.96192 GPRESSURE: 1510400 -275.233 -20.3582 -220.615 -102.772 15.4864 -351.032 -75.6656 -291.43 7.1521 PRESSAVG: 1510400 7.55158 -41.7463 -60.5478 -41.7463 8.47705 6.86282 -60.5478 6.86288 9.56993 GPRESSAVG: 1510400 8.11368 -41.9039 -60.6815 -42.9468 8.76796 8.80658 -57.8532 7.41851 9.14178 TIMING: 1510400 CPU: 4774.6, 0.00314276/step Wall: 4774.6, 0.00314276/step, 3.04638 hours remaining, 234.964844 MB of memory in use. ENERGY: 1510400 3996.4590 20302.2770 14511.7499 268.5956 -202845.7468 2362.6717 0.0000 0.0000 52060.6590 -109343.3346 299.1933 -161403.9936 -108970.1778 298.9329 -107.8396 -84.1982 761421.5202 8.5329 8.6745 PRESSURE: 1510600 -88.822 14.4275 -107.986 14.4284 188.899 79.0714 -107.987 79.0725 -35.7351 GPRESSURE: 1510600 -99.5338 -78.0963 -100.224 -68.3543 231.015 73.9703 -149.646 -74.0015 -0.559637 PRESSAVG: 1510600 -7.53398 -21.722 -24.3217 -21.7219 -8.94677 -41.2423 -24.3217 -41.2423 2.67651 GPRESSAVG: 1510600 -8.25084 -21.2052 -24.9024 -21.4754 -8.41953 -42.8585 -26.128 -40.8236 2.77765 TIMING: 1510600 CPU: 4775.23, 0.00313115/step Wall: 4775.23, 0.00313115/step, 3.03495 hours remaining, 234.964844 MB of memory in use. ENERGY: 1510600 3999.4471 20457.4594 14504.8135 263.9730 -202964.9723 2564.8887 0.0000 0.0000 52118.6825 -109055.7082 299.5268 -161174.3906 -108686.3307 299.1056 21.4473 43.6405 762611.3004 -4.6014 -4.6309 PRESSURE: 1510800 -280.553 -115.534 -111.377 -115.534 -204.2 228.433 -111.377 228.432 363.466 GPRESSURE: 1510800 -348.299 -185.983 -103.797 -150.414 -76.9315 263.983 -18.2668 125.361 383.505 PRESSAVG: 1510800 -27.8513 -16.5382 14.6246 -16.5382 31.2883 -7.34701 14.6247 -7.34706 -3.12786 GPRESSAVG: 1510800 -28.0239 -15.9509 17.3418 -16.4464 31.551 -7.29317 14.4386 -11.1244 -3.13143 TIMING: 1510800 CPU: 4775.85, 0.00313962/step Wall: 4775.85, 0.00313962/step, 3.04299 hours remaining, 234.964844 MB of memory in use. ENERGY: 1510800 4002.7182 20521.2026 14562.7678 243.6196 -203287.5551 2798.2610 0.0000 0.0000 52140.8055 -109018.1804 299.6539 -161158.9859 -108654.3477 300.1017 -40.4292 -13.9084 762550.2822 0.1031 0.1319 PRESSURE: 1511000 -363.63 5.13404 169.742 5.13339 -25.348 59.6733 169.742 59.6728 -195.514 GPRESSURE: 1511000 -248.744 56.1978 119.532 41.888 21.183 34.7558 -20.6417 212.285 -247.999 PRESSAVG: 1511000 25.2686 -14.2747 26.8408 -14.2747 -11.3552 33.093 26.8408 33.093 15.2385 GPRESSAVG: 1511000 25.2062 -14.1536 24.8877 -12.8483 -10.9807 34.1441 27.2208 36.2974 14.9483 TIMING: 1511000 CPU: 4776.48, 0.0031379/step Wall: 4776.48, 0.0031379/step, 3.04115 hours remaining, 234.964844 MB of memory in use. ENERGY: 1511000 3949.0936 20535.2793 14612.2078 242.6855 -203281.5666 2601.0775 0.0000 0.0000 52375.4878 -108965.7352 301.0026 -161341.2229 -108598.2841 299.8639 -194.8305 -158.5199 762970.8111 9.7173 9.7246 PRESSURE: 1511200 -63.6373 -70.298 16.589 -70.2981 174.643 -199.935 16.5871 -199.936 -78.5604 GPRESSURE: 1511200 -22.6003 -142.627 27.5519 -39.5276 161.951 -246.148 47.547 -200.992 -21.685 PRESSAVG: 1511200 13.4327 -15.7403 5.02832 -15.7403 8.30129 7.38532 5.02836 7.38527 4.38271 GPRESSAVG: 1511200 13.958 -15.089 4.83066 -17.1859 7.80613 7.10103 3.36889 8.72243 4.57369 TIMING: 1511200 CPU: 4777.12, 0.00316498/step Wall: 4777.12, 0.00316498/step, 3.06722 hours remaining, 234.964844 MB of memory in use. ENERGY: 1511200 3913.6658 20618.1507 14586.4083 248.4470 -203221.7179 2705.9069 0.0000 0.0000 52197.1208 -108952.0185 299.9776 -161149.1393 -108580.9919 300.0684 10.8150 39.2219 762233.1055 8.7056 8.7793 PRESSURE: 1511400 -377.279 -143.594 -18.5382 -143.594 -101.504 -43.4623 -18.5375 -43.4618 -214.535 GPRESSURE: 1511400 -337.74 -185.868 19.7542 -258.211 -107.941 13.2619 14.3282 -216.693 -171.836 PRESSAVG: 1511400 2.16251 -122.652 -18.6135 -122.652 -6.61991 -43.9658 -18.6135 -43.9659 -30.2573 GPRESSAVG: 1511400 2.7691 -123.662 -18.9118 -123.566 -7.23357 -43.5559 -15.8215 -46.9938 -30.6471 TIMING: 1511400 CPU: 4777.75, 0.00316553/step Wall: 4777.75, 0.00316553/step, 3.06758 hours remaining, 234.964844 MB of memory in use. ENERGY: 1511400 3993.3264 20512.1767 14601.0388 253.1171 -202775.4734 2471.6017 0.0000 0.0000 52083.7913 -108860.4215 299.3263 -160944.2128 -108492.7978 299.7671 -231.1061 -205.8392 763491.4937 -11.5716 -11.7038 PRESSURE: 1511600 -194.389 -20.4332 110.643 -20.4326 -107.262 -189.944 110.643 -189.946 -158.695 GPRESSURE: 1511600 -189.566 15.5377 75.0738 143.505 -28.892 -80.1785 140.256 -125.616 -153.453 PRESSAVG: 1511600 -2.47572 -39.176 -46.0663 -39.176 38.1659 2.00051 -46.0663 2.00053 18.784 GPRESSAVG: 1511600 -3.39316 -39.0228 -46.334 -36.3271 38.3771 1.20768 -47.8228 4.55811 19.6799 TIMING: 1511600 CPU: 4778.38, 0.00314964/step Wall: 4778.38, 0.00314964/step, 3.052 hours remaining, 234.964844 MB of memory in use. ENERGY: 1511600 4064.7173 20678.8953 14516.6826 239.5768 -203088.9941 2487.0521 0.0000 0.0000 52321.9025 -108780.1676 300.6947 -161102.0700 -108437.0350 300.5334 -153.4485 -123.9703 762217.3706 18.1581 18.2213 PRESSURE: 1511800 97.5343 -22.0923 -241.996 -22.0927 -381.387 -21.7332 -241.996 -21.7336 -187.082 GPRESSURE: 1511800 71.4823 -21.4341 -175.436 113.095 -311.026 -39.0153 -145.19 -119.797 -123.215 PRESSAVG: 1511800 33.7313 -17.4805 -31.8285 -17.4805 11.4558 -3.52863 -31.8285 -3.52857 -5.30694 GPRESSAVG: 1511800 32.7153 -16.2176 -30.6464 -18.6875 13.5045 -3.65127 -30.2491 -5.49607 -6.22198 TIMING: 1511800 CPU: 4779.01, 0.00313506/step Wall: 4779.01, 0.00313506/step, 3.0377 hours remaining, 234.964844 MB of memory in use. ENERGY: 1511800 4052.6826 20352.4999 14527.6122 259.2301 -203167.7618 2664.0858 0.0000 0.0000 52289.2672 -109022.3840 300.5071 -161311.6512 -108663.1157 299.8651 -156.9783 -120.9197 760533.4189 13.2934 13.3326 PRESSURE: 1512000 88.0687 59.5059 -48.7907 59.5048 231.255 257.905 -48.7897 257.903 15.8245 GPRESSURE: 1512000 71.7179 35.7469 -47.4292 5.67444 293.251 150.396 2.98374 210.489 51.937 PRESSAVG: 1512000 -4.68983 22.6122 -35.725 22.6122 18.0568 -15.6789 -35.725 -15.6789 12.556 GPRESSAVG: 1512000 -3.74141 22.2457 -34.7716 22.1016 17.448 -14.9368 -35.3924 -17.6841 12.3976 TIMING: 1512000 CPU: 4779.63, 0.00313229/step Wall: 4779.63, 0.00313229/step, 3.03484 hours remaining, 234.964844 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: 1512000 3921.5277 20430.0041 14515.7319 236.9923 -202969.6903 2634.7977 0.0000 0.0000 52051.2561 -109179.3805 299.1393 -161230.6365 -108813.7846 299.7997 111.7162 138.9686 760524.3044 8.6410 8.7014 PRESSURE: 1512200 -130.427 -80.9687 -245.186 -80.9694 46.4782 -20.669 -245.186 -20.6693 84.9144 GPRESSURE: 1512200 -7.08032 8.24523 -208.321 -5.22581 18.4791 -95.7929 -97.7323 77.8676 64.0806 PRESSAVG: 1512200 51.1062 -34.3914 1.52078 -34.3913 -33.1895 -5.23388 1.52077 -5.23389 16.9904 GPRESSAVG: 1512200 51.2177 -35.1977 0.444676 -33.5402 -33.3733 -5.62428 0.535665 -1.8582 17.1641 TIMING: 1512200 CPU: 4780.26, 0.00314155/step Wall: 4780.26, 0.00314155/step, 3.04364 hours remaining, 234.964844 MB of memory in use. ENERGY: 1512200 4032.9982 20331.8738 14559.7357 239.2889 -203380.4969 2729.0023 0.0000 0.0000 52245.3546 -109242.2436 300.2548 -161487.5982 -108875.7749 299.5236 0.3220 25.1598 761871.5228 11.6357 11.6695 LDB: ============= START OF LOAD BALANCING ============== 4792.79 LDB: ============== END OF LOAD BALANCING =============== 4792.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4792.79 LDB: ============= START OF LOAD BALANCING ============== 4793.11 LDB: Largest compute 7041 load 0.029775 is 15.2% of average load 0.195423 LDB: Average compute 0.004403 is 2.3% of average load 0.195423 LDB: TIME 4793.11 LOAD: AVG 0.195423 MAX 0.219999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.637 MB LDB: TIME 4793.11 LOAD: AVG 0.195423 MAX 0.219999 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: TIME 4793.11 LOAD: AVG 0.195423 MAX 0.217366 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.84 MB LDB: ============== END OF LOAD BALANCING =============== 4793.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4793.12 PRESSURE: 1512400 468.643 -112.206 -30.9409 -112.207 -12.5639 -132.924 -30.9409 -132.924 -227.363 GPRESSURE: 1512400 402.276 -63.9887 -101.91 -22.7593 50.3864 -162.548 56.1017 -235.198 -138.216 PRESSAVG: 1512400 -16.225 26.6234 4.85415 26.6234 -14.8043 -38.9008 4.85413 -38.9008 -1.32857 GPRESSAVG: 1512400 -15.6559 25.7606 4.01623 26.8498 -15.5281 -39.0369 4.6053 -38.7966 -1.4733 TIMING: 1512400 CPU: 4780.9, 0.0032098/step Wall: 4780.9, 0.0032098/step, 3.10958 hours remaining, 235.406250 MB of memory in use. ENERGY: 1512400 4013.8753 20217.7666 14589.8415 245.5762 -203306.0553 2756.6518 0.0000 0.0000 51958.6004 -109523.7435 298.6068 -161482.3439 -109153.2612 298.9028 76.2387 104.8155 762049.3421 -10.7860 -10.8858 PRESSURE: 1512600 -168.988 103.797 69.6745 103.797 310.964 213.088 69.6741 213.087 199.486 GPRESSURE: 1512600 -60.4797 87.7704 79.0954 10.139 315.845 220.309 83.2686 115.319 165.798 PRESSAVG: 1512600 -14.1758 -20.3578 3.12961 -20.3578 27.1444 -41.0309 3.12955 -41.0309 4.2631 GPRESSAVG: 1512600 -14.2651 -21.8158 3.737 -21.6105 26.7089 -40.9313 3.55837 -42.2418 4.31444 TIMING: 1512600 CPU: 4781.53, 0.0031176/step Wall: 4781.53, 0.0031176/step, 3.02009 hours remaining, 235.472656 MB of memory in use. ENERGY: 1512600 3966.7571 20328.2573 14612.1515 240.3888 -203078.2717 2533.4034 0.0000 0.0000 51990.0344 -109407.2792 298.7874 -161397.3135 -109044.6562 298.9549 113.8205 140.3879 762703.5908 5.7439 5.5861 PRESSURE: 1512800 -55.0969 26.964 173.795 26.9646 -87.719 -136.338 173.795 -136.337 -234.625 GPRESSURE: 1512800 14.7343 -63.4436 162.926 72.9314 -75.5381 -206.065 184.251 -65.5366 -227.075 PRESSAVG: 1512800 2.61293 -25.7428 22.4909 -25.7429 32.2977 -46.5836 22.4908 -46.5836 -8.0768 GPRESSAVG: 1512800 1.92193 -23.1927 21.1477 -27.7985 33.0951 -45.8891 22.8739 -47.8596 -7.91723 TIMING: 1512800 CPU: 4782.15, 0.00314524/step Wall: 4782.15, 0.00314524/step, 3.04669 hours remaining, 235.472656 MB of memory in use. ENERGY: 1512800 3955.1989 20332.6240 14587.1151 245.8166 -202996.3880 2417.4102 0.0000 0.0000 51924.6501 -109533.5731 298.4117 -161458.2232 -109180.1234 298.8200 -125.8135 -95.9597 762491.3058 8.9446 9.0333 PRESSURE: 1513000 -274.424 -20.4683 24.0161 -20.4685 -162.67 3.64775 24.0155 3.6474 -192.328 GPRESSURE: 1513000 -210.206 5.17638 83.2522 -99.6157 -135.251 48.7672 -9.31629 -123.546 -185.35 PRESSAVG: 1513000 29.5329 -59.8434 -18.3436 -59.8435 -16.7422 -40.1716 -18.3435 -40.1716 -22.8945 GPRESSAVG: 1513000 30.4174 -60.9136 -17.36 -59.1605 -16.7902 -40.5392 -17.7436 -39.5296 -23.9295 TIMING: 1513000 CPU: 4782.78, 0.00314362/step Wall: 4782.78, 0.00314362/step, 3.04494 hours remaining, 235.472656 MB of memory in use. ENERGY: 1513000 3950.6700 20335.5719 14589.5557 262.0279 -203005.9307 2354.2196 0.0000 0.0000 52119.9361 -109393.9493 299.5340 -161513.8854 -109032.2171 298.2493 -209.8071 -176.9358 761636.3122 -3.3679 -3.4341 PRESSURE: 1513200 33.7542 113.562 -184.957 113.562 -48.4145 39.9245 -184.957 39.9235 62.3394 GPRESSURE: 1513200 -28.1474 93.3586 -100.734 4.59816 27.9589 54.3058 -228.54 -24.8639 140.023 PRESSAVG: 1513200 14.1572 13.6739 -43.2364 13.674 -22.1198 2.38919 -43.2363 2.38914 -0.601542 GPRESSAVG: 1513200 13.0104 13.3713 -44.7798 14.4229 -21.9076 2.6974 -42.0797 -1.3687 0.355022 TIMING: 1513200 CPU: 4783.41, 0.00314952/step Wall: 4783.41, 0.00314952/step, 3.05048 hours remaining, 235.472656 MB of memory in use. ENERGY: 1513200 4054.4120 20294.3393 14535.8754 239.5507 -203304.4901 2847.7768 0.0000 0.0000 51969.8227 -109362.7134 298.6713 -161332.5360 -108998.4678 298.8799 15.8930 46.6115 762006.3687 -2.8547 -2.8474 PRESSURE: 1513400 195.88 -19.5874 155.419 -19.5865 -133.284 -145.94 155.42 -145.939 389.771 GPRESSURE: 1513400 123.171 -8.91409 113.832 74.876 -25.8458 -129.641 129.688 -148.006 421.5 PRESSAVG: 1513400 12.1094 -3.26011 -38.8342 -3.26012 -5.55009 -5.1153 -38.8342 -5.11519 -21.7036 GPRESSAVG: 1513400 11.0424 -2.94178 -39.0314 -2.35527 -4.96193 -4.90979 -40.527 -0.705717 -21.5789 TIMING: 1513400 CPU: 4784.04, 0.00314838/step Wall: 4784.04, 0.00314838/step, 3.04921 hours remaining, 235.472656 MB of memory in use. ENERGY: 1513400 3943.8544 20468.5232 14601.8268 235.9039 -203053.7039 2607.0518 0.0000 0.0000 52141.2707 -109055.2731 299.6566 -161196.5437 -108698.7647 299.1508 150.7890 172.9416 762576.8640 -5.0481 -5.1662 PRESSURE: 1513600 -535.327 139.146 145.85 139.146 -251.593 50.9474 145.849 50.9479 -100.435 GPRESSURE: 1513600 -439.529 167.473 183.857 71.144 -280.888 90.1626 74.006 78.3609 -99.628 PRESSAVG: 1513600 5.45148 -2.69073 -8.30977 -2.69074 -31.1759 15.3364 -8.30974 15.3364 -23.7216 GPRESSAVG: 1513600 6.55069 -1.73388 -7.08925 -2.55489 -32.3286 15.1018 -6.83968 13.2012 -23.0845 TIMING: 1513600 CPU: 4784.67, 0.00312803/step Wall: 4784.67, 0.00312803/step, 3.02932 hours remaining, 235.472656 MB of memory in use. ENERGY: 1513600 4014.3555 20493.7785 14574.5885 249.1204 -203030.4977 2670.0125 0.0000 0.0000 52001.2839 -109027.3583 298.8521 -161028.6422 -108654.2062 299.3150 -295.7850 -273.3485 763781.3025 -16.4820 -16.2875 PRESSURE: 1513800 -228.022 -89.5605 181.509 -89.5602 246.924 28.6699 181.509 28.6712 36.2354 GPRESSURE: 1513800 -211.842 -313.835 175.298 15.8109 285.476 9.6397 64.0875 -19.6668 63.736 PRESSAVG: 1513800 -47.7886 20.5903 -23.6559 20.5902 67.5316 12.9248 -23.656 12.9247 -8.18485 GPRESSAVG: 1513800 -47.4089 20.8578 -24.3453 20.1688 68.3107 11.5956 -24.4124 14.162 -9.26869 TIMING: 1513800 CPU: 4785.3, 0.00315965/step Wall: 4785.3, 0.00315965/step, 3.05977 hours remaining, 235.472656 MB of memory in use. ENERGY: 1513800 3976.3199 20639.9514 14639.4075 243.9547 -203296.0339 2643.4969 0.0000 0.0000 52254.2701 -108898.6334 300.3060 -161152.9035 -108550.9959 299.7526 18.3792 45.7897 762686.8221 3.8527 3.8777 PRESSURE: 1514000 34.3034 -305.916 -128.506 -305.916 -276.402 64.2866 -128.506 64.2869 -501.926 GPRESSURE: 1514000 -3.36664 -310.772 -106.052 -230.281 -217.974 144.319 -149.527 -30.2897 -461.974 PRESSAVG: 1514000 -72.3378 -20.245 -22.5488 -20.2449 103.131 -18.3994 -22.5489 -18.3993 -1.79071 GPRESSAVG: 1514000 -72.7293 -22.9067 -21.4992 -19.2088 101.987 -17.0328 -23.2756 -18.9505 -0.954283 TIMING: 1514000 CPU: 4785.93, 0.0031555/step Wall: 4785.93, 0.0031555/step, 3.05558 hours remaining, 235.472656 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: 1514000 3948.1305 20544.9408 14578.7533 257.3550 -203069.3831 2430.0459 0.0000 0.0000 52355.2151 -108954.9424 300.8861 -161310.1575 -108586.5071 300.1654 -248.0080 -227.7714 762667.4812 9.6676 9.4346 PRESSURE: 1514200 -37.9484 131.159 -14.6881 131.159 -28.2355 97.1331 -14.6877 97.1337 68.8876 GPRESSURE: 1514200 11.1244 51.9355 -41.2518 120.602 0.213578 100.161 -95.4978 73.7462 79.2512 PRESSAVG: 1514200 24.7206 -13.1632 -13.6107 -13.1632 25.4358 -19.5157 -13.6107 -19.5158 16.82 GPRESSAVG: 1514200 25.4013 -11.5752 -14.1025 -13.1262 24.9406 -18.702 -14.6727 -19.676 15.9999 TIMING: 1514200 CPU: 4786.56, 0.00314682/step Wall: 4786.56, 0.00314682/step, 3.047 hours remaining, 235.472656 MB of memory in use. ENERGY: 1514200 3971.7464 20588.9292 14451.0183 256.2073 -203391.2523 2898.9516 0.0000 0.0000 52055.8599 -109168.5397 299.1657 -161224.3996 -108812.1289 299.9145 0.9012 30.1964 762884.1311 22.3255 22.1139 PRESSURE: 1514400 -14.0063 -99.1807 -20.3529 -99.1808 -144.809 18.5371 -20.3524 18.5377 -297.905 GPRESSURE: 1514400 -65.017 -140.426 8.31682 0.626134 18.7575 19.0776 47.0755 41.3927 -320.943 PRESSAVG: 1514400 -7.40663 -57.4018 3.38816 -57.4018 5.03972 15.5974 3.38819 15.5974 21.0421 GPRESSAVG: 1514400 -8.07769 -56.9232 4.92678 -56.3897 5.66843 15.7625 4.66669 14.7458 20.8634 TIMING: 1514400 CPU: 4787.19, 0.00314073/step Wall: 4787.19, 0.00314073/step, 3.04093 hours remaining, 235.472656 MB of memory in use. ENERGY: 1514400 4024.8692 20412.0750 14559.9362 250.0605 -203679.0146 2895.7805 0.0000 0.0000 52184.8100 -109351.4832 299.9068 -161536.2932 -108989.2307 299.2127 -152.2402 -122.4010 761214.9719 6.2251 6.1514 PRESSURE: 1514600 -28.3848 180.452 -131.61 180.452 19.3132 -187.035 -131.61 -187.035 -22.6498 GPRESSURE: 1514600 6.47896 261.268 -192.251 147.278 41.6181 -209.458 -8.57483 -170.248 -12.9781 PRESSAVG: 1514600 -20.0862 -16.9585 19.1328 -16.9585 -12.4506 -0.714407 19.1328 -0.714341 -6.76557 GPRESSAVG: 1514600 -20.528 -15.6897 17.5401 -18.0484 -11.7913 -0.721451 21.2794 -1.51771 -7.27551 TIMING: 1514600 CPU: 4787.82, 0.00314957/step Wall: 4787.82, 0.00314957/step, 3.04931 hours remaining, 235.472656 MB of memory in use. ENERGY: 1514600 4037.5769 20307.5889 14489.9923 264.7901 -203208.6809 2595.9102 0.0000 0.0000 52233.6707 -109279.1519 300.1876 -161512.8226 -108913.7135 298.8581 -10.5738 11.7063 761567.2107 -13.1008 -13.1983 PRESSURE: 1514800 -395.306 35.2826 18.9508 35.2828 -192.061 -43.5411 18.9514 -43.541 -96.2398 GPRESSURE: 1514800 -285.393 15.3895 44.8929 -65.3857 -186.121 -9.63388 39.629 163.24 -130.027 PRESSAVG: 1514800 -43.1123 -28.1198 -3.29754 -28.1199 47.125 -59.3633 -3.29755 -59.3633 -1.88216 GPRESSAVG: 1514800 -42.9683 -28.0574 -3.54085 -29.7766 46.5631 -61.1355 -4.91811 -57.6896 -1.67012 TIMING: 1514800 CPU: 4788.45, 0.00315273/step Wall: 4788.45, 0.00315273/step, 3.05219 hours remaining, 235.472656 MB of memory in use. ENERGY: 1514800 3909.7837 20528.6241 14612.5415 269.7949 -203173.9020 2206.3150 0.0000 0.0000 52364.4559 -109282.3869 300.9392 -161646.8428 -108916.5481 299.1487 -227.8688 -200.5136 761333.7997 0.7102 0.6416 PRESSURE: 1515000 198.205 64.8591 212.468 64.8599 61.8442 -58.7702 212.469 -58.7702 -46.2851 GPRESSURE: 1515000 189.309 -13.3016 183.674 4.61805 131.439 -64.483 117.484 -2.76669 -9.15459 PRESSAVG: 1515000 -24.5018 9.63665 -10.1571 9.63669 59.2781 -38.4548 -10.1571 -38.4548 28.6683 GPRESSAVG: 1515000 -24.7974 8.47055 -10.1792 10.2771 58.9557 -38.9198 -10.2231 -37.7024 29.3486 TIMING: 1515000 CPU: 4789.08, 0.00313762/step Wall: 4789.08, 0.00313762/step, 3.03739 hours remaining, 235.472656 MB of memory in use. ENERGY: 1515000 3983.1625 20555.7327 14527.7615 282.4916 -203248.7627 2679.1534 0.0000 0.0000 52184.7631 -109035.6979 299.9066 -161220.4610 -108666.5957 299.5498 71.2548 103.8643 762339.6722 21.1482 21.1690 PRESSURE: 1515200 -176.358 -104.513 214.423 -104.512 -198.587 126.879 214.424 126.878 162.715 GPRESSURE: 1515200 -111.647 -187.862 217.986 -141.256 -154.902 101.825 163.019 94.142 144.348 PRESSAVG: 1515200 8.74349 -32.5715 -32.2923 -32.5715 32.4326 -31.9575 -32.2923 -31.9576 -0.43429 GPRESSAVG: 1515200 9.15345 -32.7217 -32.255 -31.8935 31.3905 -30.2728 -33.96 -33.6898 -0.274392 TIMING: 1515200 CPU: 4789.71, 0.00314469/step Wall: 4789.71, 0.00314469/step, 3.04406 hours remaining, 235.472656 MB of memory in use. ENERGY: 1515200 4070.6871 20654.8119 14605.5666 217.6375 -203071.2787 2563.6006 0.0000 0.0000 52121.4459 -108837.5291 299.5427 -160958.9749 -108479.4194 299.8066 -70.7434 -40.7335 763170.1413 13.5806 13.4232 PRESSURE: 1515400 -93.4255 -111.358 -266.025 -111.358 -203.135 80.7141 -266.025 80.7146 37.0504 GPRESSURE: 1515400 -55.4831 -69.8779 -175.868 -39.6967 -179.06 148.457 -190.974 154.436 65.686 PRESSAVG: 1515400 16.6263 11.0201 6.2432 11.0201 -28.4847 -59.5809 6.24319 -59.581 -0.452073 GPRESSAVG: 1515400 15.6842 12.9625 7.24882 10.5069 -26.6144 -59.7643 9.19165 -59.2431 -1.65694 TIMING: 1515400 CPU: 4790.34, 0.00315229/step Wall: 4790.34, 0.00315229/step, 3.05124 hours remaining, 235.472656 MB of memory in use. ENERGY: 1515400 4072.3066 20431.8734 14514.9117 231.0370 -203385.8710 2826.7530 0.0000 0.0000 52384.4507 -108924.5386 301.0542 -161308.9893 -108554.2974 300.2739 -86.5034 -56.2856 761684.7505 -4.1035 -4.1957 PRESSURE: 1515600 -87.0236 -213.356 117.172 -213.356 194.694 -189.432 117.172 -189.431 124.888 GPRESSURE: 1515600 -31.492 -171.86 53.2855 -93.3988 184.596 -142.067 -14.6352 -223.608 170.066 PRESSAVG: 1515600 3.67133 -26.7584 -10.9821 -26.7583 -30.7453 -30.0024 -10.9821 -30.0024 17.3015 GPRESSAVG: 1515600 4.75039 -26.606 -11.0643 -26.1718 -33.3319 -30.2166 -13.4316 -28.2074 19.3602 TIMING: 1515600 CPU: 4790.97, 0.00315588/step Wall: 4790.97, 0.00315588/step, 3.05454 hours remaining, 235.472656 MB of memory in use. ENERGY: 1515600 3992.3053 20563.0560 14612.4792 221.5231 -203350.4080 2739.1271 0.0000 0.0000 52338.6551 -108883.2623 300.7910 -161221.9174 -108509.3441 300.2708 77.5196 107.7231 760707.5035 -3.2575 -3.0738 PRESSURE: 1515800 33.4252 72.2676 161.034 72.2674 -231.687 -166.838 161.034 -166.838 46.57 GPRESSURE: 1515800 16.8288 57.1028 204.795 35.6127 -145.678 -152.345 154.308 -161.552 67.7828 PRESSAVG: 1515800 28.9209 -3.0657 -39.3758 -3.06565 -35.2662 25.6631 -39.3757 25.663 -37.443 GPRESSAVG: 1515800 28.4199 -4.00539 -40.6073 -2.70018 -32.1959 26.6773 -37.7567 26.5861 -39.4473 TIMING: 1515800 CPU: 4791.6, 0.00315511/step Wall: 4791.6, 0.00315511/step, 3.05362 hours remaining, 235.472656 MB of memory in use. ENERGY: 1515800 3968.8671 20648.3590 14565.5376 255.4239 -203059.3546 2584.7615 0.0000 0.0000 52131.6433 -108904.7623 299.6013 -161036.4056 -108539.3738 299.7577 -50.5641 -20.3555 761743.3306 -14.5961 -14.4078 PRESSURE: 1516000 -75.8867 64.7676 -97.3325 64.7677 -139.186 62.3855 -97.332 62.3864 16.8942 GPRESSURE: 1516000 -91.0864 104.497 -40.6332 96.1071 -56.5164 10.7207 -292.066 64.337 18.6154 PRESSAVG: 1516000 8.48264 -2.35217 -38.2531 -2.35214 -46.4214 21.2262 -38.2531 21.2262 -11.3444 GPRESSAVG: 1516000 9.72133 -1.314 -37.2313 -2.97537 -47.4561 20.7621 -40.0293 19.2989 -11.637 TIMING: 1516000 CPU: 4792.23, 0.00314647/step Wall: 4792.23, 0.00314647/step, 3.04508 hours remaining, 235.472656 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: 1516000 3998.0294 20599.2714 14584.6581 244.9681 -203733.6846 2816.6062 0.0000 0.0000 52165.8929 -109324.2586 299.7981 -161490.1515 -108961.4814 299.3993 -66.0596 -42.9958 761611.2167 -16.4277 -16.4573 PRESSURE: 1516200 -89.7634 21.7647 86.7303 21.7648 159.705 -90.5196 86.7296 -90.5193 -306.841 GPRESSURE: 1516200 -9.28451 -108.96 38.7421 72.5869 190.883 -59.8717 75.5954 -37.1313 -345.745 PRESSAVG: 1516200 -41.41 33.1295 58.7737 33.1295 10.1239 -35.1128 58.7738 -35.1126 8.48992 GPRESSAVG: 1516200 -41.8866 31.7691 60.2141 31.7341 10.0229 -36.0791 57.6147 -33.9351 8.91758 TIMING: 1516200 CPU: 4792.86, 0.00314437/step Wall: 4792.86, 0.00314437/step, 3.04287 hours remaining, 235.472656 MB of memory in use. ENERGY: 1516200 3986.2466 20625.6029 14502.6441 240.5428 -203584.4387 2899.8429 0.0000 0.0000 52002.4153 -109327.1442 298.8586 -161329.5595 -108968.9526 298.9278 -78.9663 -54.7153 763252.9709 -7.5987 -7.6487 LDB: ============= START OF LOAD BALANCING ============== 4805.39 LDB: ============== END OF LOAD BALANCING =============== 4805.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4805.39 LDB: ============= START OF LOAD BALANCING ============== 4805.71 LDB: Largest compute 7037 load 0.030666 is 15.7% of average load 0.195671 LDB: Average compute 0.004392 is 2.2% of average load 0.195671 LDB: TIME 4805.71 LOAD: AVG 0.195671 MAX 0.214701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.977 MB LDB: TIME 4805.71 LOAD: AVG 0.195671 MAX 0.214701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.18 MB LDB: TIME 4805.71 LOAD: AVG 0.195671 MAX 0.214701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.18 MB LDB: ============== END OF LOAD BALANCING =============== 4805.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4805.72 PRESSURE: 1516400 -402.866 133.856 70.2126 133.856 -268.322 40.0099 70.2117 40.0105 -416.849 GPRESSURE: 1516400 -384.976 142.694 82.1776 150.788 -247.315 51.7506 50.6388 -68.2289 -348.118 PRESSAVG: 1516400 -21.3752 72.4318 16.4101 72.4318 35.1344 60.6427 16.4101 60.6427 -6.63629 GPRESSAVG: 1516400 -22.3951 71.6862 14.4895 72.1665 35.3627 60.6666 18.2125 59.6926 -5.36479 TIMING: 1516400 CPU: 4793.5, 0.00323665/step Wall: 4793.5, 0.00323665/step, 3.132 hours remaining, 234.894531 MB of memory in use. ENERGY: 1516400 3997.1356 20519.2301 14569.8638 260.9896 -203091.7472 2470.8153 0.0000 0.0000 51914.2829 -109359.4299 298.3521 -161273.7128 -109000.5203 298.7649 -362.6789 -326.8031 766719.3668 2.3743 2.5343 PRESSURE: 1516600 -95.5076 133.943 196.112 133.943 75.6029 -141.66 196.111 -141.661 -35.5421 GPRESSURE: 1516600 -25.4767 128.04 111.471 116.588 116.069 -165.112 322.417 -186.113 -62.7879 PRESSAVG: 1516600 9.82998 42.9281 2.94904 42.9281 -15.0777 0.262313 2.94907 0.262306 22.3758 GPRESSAVG: 1516600 11.3653 40.7659 2.97013 45.9376 -15.5018 0.221157 3.16335 -0.678199 21.4517 TIMING: 1516600 CPU: 4794.14, 0.00316452/step Wall: 4794.14, 0.00316452/step, 3.06202 hours remaining, 234.894531 MB of memory in use. ENERGY: 1516600 3946.2365 20471.6296 14584.1506 238.2113 -203604.2435 2832.8103 0.0000 0.0000 52201.5773 -109329.6279 300.0032 -161531.2052 -108963.4727 299.2712 -18.4823 9.2683 763518.9903 5.7094 5.7717 PRESSURE: 1516800 -291.74 27.6013 -89.0704 27.6007 -163.523 -221.274 -89.0708 -221.275 -96.8012 GPRESSURE: 1516800 -220.295 89.2764 -219.52 -9.03206 -164.362 -248.092 -46.8926 -92.7379 -84.2461 PRESSAVG: 1516800 -39.1609 1.8567 -33.1484 1.85673 33.7306 -24.208 -33.1485 -24.2081 -6.34986 GPRESSAVG: 1516800 -39.7431 5.54189 -33.751 2.52228 34.0599 -24.7792 -33.8449 -22.0976 -6.19829 TIMING: 1516800 CPU: 4794.77, 0.00316195/step Wall: 4794.77, 0.00316195/step, 3.05936 hours remaining, 234.894531 MB of memory in use. ENERGY: 1516800 3987.0444 20538.0578 14577.6082 255.1983 -203477.3576 2788.1954 0.0000 0.0000 51980.0645 -109351.1891 298.7301 -161331.2535 -108994.0132 299.0903 -184.0214 -156.3008 763460.2579 -3.9267 -3.9605 PRESSURE: 1517000 -182.781 84.7905 -213.947 84.791 183.34 -72.1767 -213.946 -72.1775 -108.502 GPRESSURE: 1517000 -48.9715 15.7766 -215.47 40.0859 169.768 -25.7549 -152.805 -181.85 -157.728 PRESSAVG: 1517000 46.0234 -28.8161 35.7189 -28.8161 -13.8341 -28.0482 35.7189 -28.0483 -0.994939 GPRESSAVG: 1517000 46.5047 -30.2262 35.8817 -31.1514 -13.6646 -28.4401 36.2121 -27.9769 -1.50171 TIMING: 1517000 CPU: 4795.4, 0.00315647/step Wall: 4795.4, 0.00315647/step, 3.05388 hours remaining, 234.894531 MB of memory in use. ENERGY: 1517000 3993.8366 20500.8457 14566.3121 257.8838 -203057.7055 2370.6044 0.0000 0.0000 51943.1328 -109425.0900 298.5179 -161368.2229 -109053.3647 298.6716 -35.9811 -12.3105 763473.9180 10.3981 10.4461 PRESSURE: 1517200 -208.428 -91.7542 -29.3448 -91.7552 12.8339 -129.71 -29.3444 -129.71 -238.88 GPRESSURE: 1517200 -119.237 37.4783 -12.9061 -21.7256 -18.8451 -85.6246 -39.0003 -230.679 -212.119 PRESSAVG: 1517200 16.0205 15.8677 34.5617 15.8677 -25.8864 -34.9404 34.5618 -34.9404 -2.20741 GPRESSAVG: 1517200 15.0016 16.4898 33.853 15.6963 -25.6261 -34.2579 33.9704 -36.3257 -1.64804 TIMING: 1517200 CPU: 4796.03, 0.00315236/step Wall: 4796.03, 0.00315236/step, 3.04973 hours remaining, 234.894531 MB of memory in use. ENERGY: 1517200 3995.6217 20585.3324 14609.1455 244.6231 -203800.5253 3067.2645 0.0000 0.0000 51817.2848 -109481.2534 297.7946 -161298.5382 -109124.4038 298.7303 -144.8246 -116.7338 763155.9459 -4.0244 -4.0908 PRESSURE: 1517400 -115.308 -166.436 -95.6327 -166.436 -135.041 -8.85819 -95.6323 -8.85795 20.001 GPRESSURE: 1517400 -64.482 -103.555 -62.7056 -175.275 -177.229 26.1392 -96.2501 -51.5306 103.463 PRESSAVG: 1517400 -13.6896 36.2167 49.5516 36.2167 -3.19235 -33.1801 49.5517 -33.1801 2.36381 GPRESSAVG: 1517400 -12.879 36.5388 51.8558 36.6664 -5.60993 -31.7121 49.9138 -32.3826 3.54264 TIMING: 1517400 CPU: 4796.67, 0.00317717/step Wall: 4796.67, 0.00317717/step, 3.07355 hours remaining, 234.964844 MB of memory in use. ENERGY: 1517400 3936.5056 20563.2697 14599.6052 253.4682 -203580.2676 2653.7021 0.0000 0.0000 52126.8178 -109446.8990 299.5735 -161573.7168 -109081.0533 298.8569 -76.7826 -46.0828 761941.2313 -4.8394 -4.9821 PRESSURE: 1517600 91.2447 -48.1468 84.2653 -48.147 -77.163 149.064 84.2654 149.064 117.951 GPRESSURE: 1517600 142.248 -125.687 138.643 -161.952 -0.274239 62.0822 -37.1426 165.586 76.4725 PRESSAVG: 1517600 58.4264 21.0516 20.7176 21.0516 -39.1668 2.85882 20.7176 2.85892 3.64167 GPRESSAVG: 1517600 57.6694 20.3622 20.7102 19.1096 -38.3061 0.285983 21.9237 1.23958 3.55082 TIMING: 1517600 CPU: 4797.3, 0.0031531/step Wall: 4797.3, 0.0031531/step, 3.0501 hours remaining, 234.964844 MB of memory in use. ENERGY: 1517600 3964.8801 20710.2230 14593.1385 250.0558 -203563.3865 2733.8875 0.0000 0.0000 51987.1538 -109324.0477 298.7709 -161311.2015 -108955.6352 299.2408 44.0107 72.8153 763609.8398 7.6337 7.6381 PRESSURE: 1517800 362.894 -92.5767 182.419 -92.5763 394.295 11.193 182.42 11.1934 179.635 GPRESSURE: 1517800 432.606 -139.932 170.853 -69.4459 393.252 18.591 6.66841 118.391 206.299 PRESSAVG: 1517800 -23.7677 -22.3496 -17.4057 -22.3496 3.12894 10.4941 -17.4057 10.4941 -2.81322 GPRESSAVG: 1517800 -23.233 -21.4227 -19.9 -22.2059 2.6283 12.4105 -19.3324 10.266 -2.85978 TIMING: 1517800 CPU: 4797.93, 0.0031665/step Wall: 4797.93, 0.0031665/step, 3.06288 hours remaining, 234.964844 MB of memory in use. ENERGY: 1517800 3993.4043 20619.5273 14496.5987 260.2637 -203947.4245 3212.2356 0.0000 0.0000 52144.6061 -109220.7888 299.6758 -161365.3949 -108861.8621 299.3939 312.2746 344.0525 762881.3430 -7.8173 -7.8215 PRESSURE: 1518000 92.7774 -1.32018 91.736 -1.32009 -2.01229 -157.591 91.7355 -157.592 54.7339 GPRESSURE: 1518000 75.0605 -18.5847 33.9756 64.5075 -0.7828 -158.847 60.3239 -122.357 152.641 PRESSAVG: 1518000 8.39769 -25.5531 -6.56555 -25.5532 -74.4813 -20.4352 -6.56555 -20.4352 -16.1217 GPRESSAVG: 1518000 8.12395 -27.5914 -6.20557 -23.9659 -73.0605 -18.6947 -6.46338 -20.3309 -17.3175 TIMING: 1518000 CPU: 4798.56, 0.00315964/step Wall: 4798.56, 0.00315964/step, 3.05607 hours remaining, 234.964844 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: 1518000 4132.6561 20512.1372 14541.3460 252.1372 -203005.6557 2433.5049 0.0000 0.0000 51984.7446 -109149.1297 298.7570 -161133.8743 -108798.4062 299.2029 48.4996 75.6394 764392.7640 -27.4017 -27.4180 PRESSURE: 1518200 -230.822 -41.1986 116.213 -41.1996 -182.087 59.7004 116.212 59.7013 -318.477 GPRESSURE: 1518200 -157.185 -128.306 136.456 -25.1847 -161.777 40.6684 224.794 131.087 -338.642 PRESSAVG: 1518200 47.0829 -45.5897 14.4264 -45.5898 -45.3856 -14.7001 14.4265 -14.7001 -7.00359 GPRESSAVG: 1518200 46.9052 -42.7088 13.9366 -49.4381 -46.3498 -17.6448 16.7164 -13.1652 -6.14623 TIMING: 1518200 CPU: 4799.19, 0.00315245/step Wall: 4799.19, 0.00315245/step, 3.04895 hours remaining, 235.167969 MB of memory in use. ENERGY: 1518200 4038.1961 20557.6709 14517.1053 256.8103 -203167.8587 2631.4640 0.0000 0.0000 51892.3274 -109274.2847 298.2259 -161166.6121 -108912.5576 298.6912 -243.7950 -219.2013 764063.6621 -1.7688 -1.8636 PRESSURE: 1518400 -234.984 113.905 -21.0104 113.907 -107.196 -118.306 -21.0103 -118.306 -90.3738 GPRESSURE: 1518400 -285.205 59.8554 7.79426 -31.4003 12.0716 -105.912 -71.8253 -42.2434 -80.7787 PRESSAVG: 1518400 -6.26773 -39.5818 -31.0571 -39.5818 25.6588 35.894 -31.0571 35.8941 -2.34387 GPRESSAVG: 1518400 -5.70816 -41.1968 -28.7622 -35.8284 25.7303 36.7955 -32.6643 36.3143 -2.65389 TIMING: 1518400 CPU: 4799.83, 0.00316168/step Wall: 4799.83, 0.00316168/step, 3.0577 hours remaining, 235.167969 MB of memory in use. ENERGY: 1518400 4036.0075 20452.8148 14550.1941 251.7311 -203349.3791 2836.5382 0.0000 0.0000 51890.9688 -109331.1247 298.2181 -161222.0934 -108962.3789 299.0042 -144.1846 -117.9708 763781.4451 5.6824 5.7894 PRESSURE: 1518600 -192.318 13.2648 87.201 13.265 -111.386 -19.8568 87.2011 -19.856 -51.5267 GPRESSURE: 1518600 -212.315 -122.532 136.067 -27.528 -2.27049 30.6316 156.661 -77.9907 -22.4638 PRESSAVG: 1518600 -3.84924 -46.5486 -12.3225 -46.5485 28.7637 -1.36313 -12.3225 -1.36302 -13.0416 GPRESSAVG: 1518600 -4.34471 -48.0576 -12.6593 -46.6351 28.9438 -1.03703 -12.205 -2.46327 -12.343 TIMING: 1518600 CPU: 4800.45, 0.00313846/step Wall: 4800.45, 0.00313846/step, 3.03506 hours remaining, 235.167969 MB of memory in use. ENERGY: 1518600 3951.4422 20612.3100 14522.8996 260.8503 -203129.9227 2551.0381 0.0000 0.0000 52114.1822 -109117.2002 299.5009 -161231.3824 -108760.3223 299.0870 -118.4102 -79.0166 763858.6469 3.9576 4.0854 PRESSURE: 1518800 -55.662 -19.6325 124.552 -19.6315 -461.817 -40.7871 124.552 -40.7881 -181.239 GPRESSURE: 1518800 -44.8548 43.1699 219.454 5.17185 -425.782 -94.0497 -3.57493 29.326 -135.793 PRESSAVG: 1518800 -42.4351 -15.1214 32.2675 -15.1214 34.1994 19.5315 32.2675 19.5315 -13.4499 GPRESSAVG: 1518800 -42.4821 -13.5463 32.9941 -16.5033 33.2412 19.3993 33.6757 18.2259 -12.11 TIMING: 1518800 CPU: 4801.08, 0.00313944/step Wall: 4801.08, 0.00313944/step, 3.03584 hours remaining, 235.167969 MB of memory in use. ENERGY: 1518800 4018.1057 20331.5090 14552.9596 220.2000 -202628.6623 2069.2186 0.0000 0.0000 52272.5455 -109164.1240 300.4110 -161436.6695 -108802.4928 299.1463 -232.9059 -202.1433 762675.0480 -7.2285 -7.1170 PRESSURE: 1519000 -149.061 1.07267 -276.392 1.07252 -30.2038 -0.995381 -276.391 -0.995642 -127.899 GPRESSURE: 1519000 -91.8998 83.6466 -368.082 -103.86 -17.776 48.6524 -147.505 52.3312 -122.57 PRESSAVG: 1519000 16.2897 -13.8571 37.1439 -13.8571 9.68931 -41.9491 37.1439 -41.9491 17.0418 GPRESSAVG: 1519000 17.3156 -14.1062 36.1041 -13.5823 10.7613 -42.9187 36.5919 -41.4284 14.742 TIMING: 1519000 CPU: 4801.71, 0.00315761/step Wall: 4801.71, 0.00315762/step, 3.05324 hours remaining, 235.167969 MB of memory in use. ENERGY: 1519000 4011.0560 20534.2955 14537.1960 258.7031 -203293.9945 2511.3338 0.0000 0.0000 52225.2037 -109216.2064 300.1390 -161441.4101 -108854.0615 299.2500 -102.3879 -77.4152 761512.6014 14.3403 14.2730 PRESSURE: 1519200 19.7016 -178.054 25.5085 -178.055 -243.249 -142.405 25.5076 -142.404 248.796 GPRESSURE: 1519200 115.149 -139.965 28.4111 -204.239 -273.485 -100.923 -160.843 -139.896 248.256 PRESSAVG: 1519200 -4.74603 -53.9695 1.5513 -53.9694 -18.1862 -29.3797 1.55122 -29.3797 -7.32482 GPRESSAVG: 1519200 -4.61975 -54.3078 4.05448 -53.1344 -19.3542 -28.8892 -0.472458 -27.7919 -6.13902 TIMING: 1519200 CPU: 4802.34, 0.00315189/step Wall: 4802.34, 0.00315189/step, 3.04753 hours remaining, 235.167969 MB of memory in use. ENERGY: 1519200 3983.4144 20440.9524 14586.8708 236.9241 -203075.4442 2455.0854 0.0000 0.0000 52149.5525 -109222.6446 299.7042 -161372.1971 -108851.8462 299.3975 8.4164 29.9732 761517.7342 -10.0857 -10.0376 PRESSURE: 1519400 -261.361 -122.076 163.492 -122.076 78.2779 195.469 163.492 195.469 357.763 GPRESSURE: 1519400 -164.235 -246.979 228.018 -168.999 120.198 158.573 202.696 128.43 303.13 PRESSAVG: 1519400 -32.243 -66.4077 -22.68 -66.4077 45.1919 0.953954 -22.6799 0.953922 12.7358 GPRESSAVG: 1519400 -33.3413 -68.2889 -23.1866 -66.6722 46.8104 2.00243 -22.2228 -2.73178 12.4605 TIMING: 1519400 CPU: 4802.97, 0.00314766/step Wall: 4802.97, 0.00314766/step, 3.04326 hours remaining, 235.167969 MB of memory in use. ENERGY: 1519400 4021.4536 20466.5879 14536.3239 233.4399 -203029.8631 2590.1392 0.0000 0.0000 52104.7222 -109077.1963 299.4466 -161181.9185 -108718.9505 299.1464 58.2267 86.3643 762423.2867 8.5616 8.6432 PRESSURE: 1519600 -192.606 -22.6282 8.92351 -22.628 127.748 66.7816 8.92317 66.7806 -385.985 GPRESSURE: 1519600 -231.194 -174.414 35.0259 34.6941 222.377 9.65691 120.979 13.002 -345.214 PRESSAVG: 1519600 20.4557 -48.4624 -1.1988 -48.4624 -0.39995 -11.1091 -1.19883 -11.1091 -8.08258 GPRESSAVG: 1519600 20.0242 -47.3013 -2.7739 -49.1522 -0.880385 -14.2187 0.437108 -8.64102 -6.87751 TIMING: 1519600 CPU: 4803.61, 0.00316418/step Wall: 4803.61, 0.00316418/step, 3.05906 hours remaining, 235.167969 MB of memory in use. ENERGY: 1519600 3998.0310 20422.3186 14536.4238 246.6112 -203205.4639 2678.9814 0.0000 0.0000 52220.2902 -109102.8078 300.1107 -161323.0980 -108732.0798 299.5726 -150.2807 -118.0105 763778.0069 3.9911 4.0888 PRESSURE: 1519800 67.1987 -39.7648 -65.8179 -39.7658 445.091 115.697 -65.8173 115.696 31.726 GPRESSURE: 1519800 161.644 0.0385379 -50.0962 -69.2506 447.975 167.056 -105.933 193.635 29.3941 PRESSAVG: 1519800 -28.4795 -23.8611 -52.6845 -23.861 32.821 -16.037 -52.6844 -16.037 -1.2563 GPRESSAVG: 1519800 -27.618 -24.1841 -53.8768 -23.9908 33.0704 -13.6358 -50.5635 -17.0208 -1.53292 TIMING: 1519800 CPU: 4804.23, 0.00313348/step Wall: 4804.23, 0.00313348/step, 3.0292 hours remaining, 235.167969 MB of memory in use. ENERGY: 1519800 3888.3850 20522.4541 14570.8752 251.0391 -203180.1088 2642.8640 0.0000 0.0000 51979.3277 -109325.1636 298.7259 -161304.4914 -108969.7505 299.1809 181.3385 213.0045 762495.1286 1.0284 1.3065 PRESSURE: 1520000 104.644 61.2334 -348.703 61.2331 122.974 -86.457 -348.702 -86.4572 142.469 GPRESSURE: 1520000 222.899 55.1679 -343.671 -1.56987 94.8317 -180.211 -228.362 10.1018 141.869 PRESSAVG: 1520000 -15.8198 -46.629 16.7821 -46.6291 17.2389 35.2286 16.7821 35.2286 7.70216 GPRESSAVG: 1520000 -16.0789 -44.9052 17.5242 -45.97 17.3481 35.0458 15.1492 33.8539 7.77417 TIMING: 1520000 CPU: 4804.86, 0.00316483/step Wall: 4804.86, 0.00316483/step, 3.05933 hours remaining, 235.167969 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: 1520000 3920.2197 20269.3668 14542.5579 237.0044 -203221.7428 2678.9973 0.0000 0.0000 52051.5083 -109522.0884 299.1407 -161573.5967 -109148.6501 298.4817 123.3623 153.1999 761291.1679 3.0404 3.0145 PRESSURE: 1520200 24.1735 -67.8367 143.65 -67.8365 91.9182 110.425 143.65 110.424 -269.599 GPRESSURE: 1520200 27.522 -92.9564 80.5508 -151.348 153.941 157.15 265.554 99.6722 -257.612 PRESSAVG: 1520200 4.09074 6.43916 16.9954 6.43924 -39.5864 -8.13349 16.9953 -8.13337 -1.89429 GPRESSAVG: 1520200 3.9747 6.44818 16.8703 5.63235 -39.679 -8.11958 15.7341 -4.37921 -1.52334 TIMING: 1520200 CPU: 4805.5, 0.0031571/step Wall: 4805.5, 0.0031571/step, 3.05168 hours remaining, 235.167969 MB of memory in use. ENERGY: 1520200 3989.7827 20376.5783 14534.9808 261.2236 -203104.7509 2529.1758 0.0000 0.0000 51911.6667 -109501.3431 298.3371 -161413.0098 -109128.8385 297.9253 -51.1691 -25.3831 762807.5137 -12.4633 -12.4092 LDB: ============= START OF LOAD BALANCING ============== 4818.03 LDB: ============== END OF LOAD BALANCING =============== 4818.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4818.03 LDB: ============= START OF LOAD BALANCING ============== 4818.35 LDB: Largest compute 7048 load 0.031315 is 16.0% of average load 0.195374 LDB: Average compute 0.004399 is 2.3% of average load 0.195374 LDB: TIME 4818.35 LOAD: AVG 0.195374 MAX 0.211931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.66 MB LDB: TIME 4818.35 LOAD: AVG 0.195374 MAX 0.211931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: TIME 4818.35 LOAD: AVG 0.195374 MAX 0.211931 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.867 MB LDB: ============== END OF LOAD BALANCING =============== 4818.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4818.36 PRESSURE: 1520400 36.5559 -15.3769 -74.316 -15.3772 -164.166 -12.206 -74.316 -12.205 206.041 GPRESSURE: 1520400 41.436 66.9901 -13.1492 -51.3674 -40.8008 -23.0833 -183.516 -82.8017 173.803 PRESSAVG: 1520400 20.0296 -43.1025 -17.1959 -43.1024 4.58985 20.4118 -17.1959 20.4117 11.9543 GPRESSAVG: 1520400 20.6425 -44.4385 -17.2089 -41.5503 4.99176 20.7732 -15.7199 19.6621 10.7131 TIMING: 1520400 CPU: 4806.14, 0.00321484/step Wall: 4806.14, 0.00321484/step, 3.10732 hours remaining, 235.917969 MB of memory in use. ENERGY: 1520400 3975.5660 20432.0363 14534.4760 255.7248 -202953.9431 2637.9264 0.0000 0.0000 51793.3593 -109324.8543 297.6571 -161118.2135 -108967.0165 298.3669 26.1437 58.1461 761517.8718 12.1912 12.1158 PRESSURE: 1520600 -105.893 -242.32 190.415 -242.321 173.237 24.6009 190.415 24.6004 185.745 GPRESSURE: 1520600 -24.5058 -151.649 101.522 -218.584 133.023 32.5104 192.947 111.066 243.886 PRESSAVG: 1520600 9.87352 -36.8319 -21.78 -36.8319 -28.7283 10.7024 -21.7799 10.7024 23.7563 GPRESSAVG: 1520600 9.8912 -35.3778 -22.0309 -36.375 -29.1448 10.3036 -24.0004 10.6334 24.1243 TIMING: 1520600 CPU: 4806.77, 0.00314626/step Wall: 4806.77, 0.00314626/step, 3.04086 hours remaining, 235.917969 MB of memory in use. ENERGY: 1520600 3908.8660 20445.2546 14512.7978 251.7919 -203509.4278 2891.3869 0.0000 0.0000 51961.5517 -109537.7790 298.6238 -161499.3307 -109176.7711 298.6820 84.3633 117.4678 761782.0499 1.6338 1.6236 PRESSURE: 1520800 -48.6131 -131.463 -44.7806 -131.464 -236.776 10.9649 -44.7801 10.9651 -279.76 GPRESSURE: 1520800 34.8733 -183.935 -94.4143 -23.8516 -232.011 -32.5176 115.161 50.8704 -291.604 PRESSAVG: 1520800 53.7097 -38.51 -41.7911 -38.51 -63.4516 6.21831 -41.7911 6.21837 15.1843 GPRESSAVG: 1520800 53.5226 -38.5826 -41.8274 -39.9118 -62.7933 6.04766 -40.2481 4.43559 15.1546 TIMING: 1520800 CPU: 4807.4, 0.00315828/step Wall: 4807.4, 0.00315828/step, 3.0523 hours remaining, 236.121094 MB of memory in use. ENERGY: 1520800 3977.3130 20270.6193 14489.6557 241.6790 -203032.5445 2387.3135 0.0000 0.0000 51984.1132 -109681.8508 298.7534 -161665.9640 -109312.7898 298.0763 -188.3828 -162.9138 764147.3048 1.8142 1.9613 PRESSURE: 1521000 -141.544 -126.595 -94.4627 -126.595 -122.747 -220.938 -94.4625 -220.937 -407.865 GPRESSURE: 1521000 -163.673 -31.7767 -124.961 -162.067 -93.7609 -271.484 -67.6132 -85.8258 -346.581 PRESSAVG: 1521000 -10.0012 28.0369 -16.5374 28.0369 28.7081 27.9481 -16.5374 27.9482 6.49647 GPRESSAVG: 1521000 -9.883 25.6621 -15.6445 27.1813 28.5631 28.9521 -15.3681 29.712 6.63471 TIMING: 1521000 CPU: 4808.03, 0.00315647/step Wall: 4808.03, 0.00315647/step, 3.05037 hours remaining, 236.324219 MB of memory in use. ENERGY: 1521000 3966.9704 20560.9990 14519.2589 238.1754 -203148.1228 2543.3990 0.0000 0.0000 52069.5369 -109249.7832 299.2443 -161319.3201 -108882.7136 298.9797 -224.0521 -201.3382 763181.5341 8.4011 8.4383 PRESSURE: 1521200 168.293 -152.728 -54.2519 -152.727 -160.82 45.1259 -54.2516 45.1259 374.255 GPRESSURE: 1521200 164.114 -91.5867 -151.147 -83.0079 -38.4485 45.2519 82.7127 141.453 331.977 PRESSAVG: 1521200 73.8946 -24.9479 -47.155 -24.9478 -5.71411 -31.8753 -47.155 -31.8754 -41.19 GPRESSAVG: 1521200 72.949 -23.8729 -47.3877 -24.5164 -4.7795 -32.8283 -46.629 -33.099 -41.3052 TIMING: 1521200 CPU: 4808.66, 0.00314694/step Wall: 4808.66, 0.00314694/step, 3.04099 hours remaining, 236.324219 MB of memory in use. ENERGY: 1521200 3956.7298 20391.8568 14516.3389 239.3750 -203256.0321 2872.6020 0.0000 0.0000 52122.3155 -109156.8141 299.5477 -161279.1296 -108796.7436 299.3254 127.2425 152.5477 763159.4096 8.9969 8.9548 PRESSURE: 1521400 317.327 20.4279 -124.663 20.4282 -74.202 51.7248 -124.662 51.7255 -154.088 GPRESSURE: 1521400 426.65 5.79854 -138.765 -2.17095 -23.7803 61.2882 -62.0547 56.1182 -233.68 PRESSAVG: 1521400 -1.10539 -42.6341 8.76903 -42.6342 -1.90599 57.448 8.76904 57.448 -5.07362 GPRESSAVG: 1521400 -0.11195 -41.6336 9.62168 -43.9697 -2.27997 57.106 5.86347 57.4831 -5.29642 TIMING: 1521400 CPU: 4809.29, 0.0031404/step Wall: 4809.29, 0.0031404/step, 3.0345 hours remaining, 236.527344 MB of memory in use. ENERGY: 1521400 3957.1154 20380.4688 14476.8186 239.7155 -203077.5697 2650.1629 0.0000 0.0000 52194.0431 -109179.2455 299.9599 -161373.2886 -108821.6839 299.3280 29.6789 56.3965 762294.4766 -2.6950 -2.5628 PRESSURE: 1521600 -84.3562 11.9119 -165.72 11.9136 -54.21 -267.606 -165.721 -267.606 213.257 GPRESSURE: 1521600 -27.6844 23.2373 -187.482 128.926 -47.1359 -299.54 -73.4232 -132.32 235.769 PRESSAVG: 1521600 18.8108 -28.678 11.7456 -28.678 -6.32424 -31.9047 11.7456 -31.9047 -8.288 GPRESSAVG: 1521600 19.6513 -31.5981 11.1856 -26.8647 -6.56931 -31.7877 13.246 -30.5002 -8.93249 TIMING: 1521600 CPU: 4809.92, 0.00315026/step Wall: 4809.92, 0.00315026/step, 3.04385 hours remaining, 236.527344 MB of memory in use. ENERGY: 1521600 3960.4575 20376.4944 14572.1116 246.0263 -202984.8695 2788.2489 0.0000 0.0000 51908.6008 -109132.9298 298.3194 -161041.5306 -108779.6521 299.4195 24.8969 53.6495 763767.6311 1.3995 1.3832 PRESSURE: 1521800 -332.479 217.411 -119.297 217.41 -71.4974 -1.00929 -119.297 -1.00859 -265.141 GPRESSURE: 1521800 -312.074 211.977 -150.248 196.116 -60.8872 20.3813 -161.12 15.194 -215.173 PRESSAVG: 1521800 53.7953 -2.19897 -34.17 -2.19892 -26.1878 77.1391 -34.17 77.1392 -19.2639 GPRESSAVG: 1521800 52.668 -0.0141074 -34.2969 -3.76342 -26.2409 76.2792 -35.1387 75.628 -18.6029 TIMING: 1521800 CPU: 4810.55, 0.00315164/step Wall: 4810.55, 0.00315164/step, 3.04501 hours remaining, 236.527344 MB of memory in use. ENERGY: 1521800 4047.1612 20543.1546 14524.7890 239.5486 -202580.5128 2356.4786 0.0000 0.0000 52065.3890 -108803.9918 299.2205 -160869.3808 -108456.4091 299.7063 -223.0393 -196.0447 763151.6381 2.7812 2.6081 PRESSURE: 1522000 -15.0684 -201.598 106.106 -201.597 -117.154 73.9668 106.106 73.9663 14.4282 GPRESSURE: 1522000 94.6152 -208.417 86.6122 -197.942 -162.376 103.867 48.5722 71.6395 34.375 PRESSAVG: 1522000 5.97828 -33.7469 29.9668 -33.7469 -7.01391 65.7358 29.9668 65.7358 6.6281 GPRESSAVG: 1522000 5.78356 -34.2173 28.8098 -33.7255 -7.24846 66.0053 30.3701 65.5666 7.89315 TIMING: 1522000 CPU: 4811.18, 0.0031554/step Wall: 4811.18, 0.0031554/step, 3.04847 hours remaining, 236.527344 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: 1522000 4049.8058 20475.7911 14505.5323 238.5971 -203356.2130 2971.4215 0.0000 0.0000 51953.4664 -109161.5987 298.5773 -161115.0651 -108796.0404 299.8670 -39.2647 -11.1286 762675.7572 1.8642 2.1428 PRESSURE: 1522200 -5.0077 265.518 -44.3872 265.518 -372.328 14.6859 -44.3862 14.6861 189.467 GPRESSURE: 1522200 -66.1463 257.459 -197.603 134.292 -222.96 -46.846 -33.2134 -62.8159 161.027 PRESSAVG: 1522200 -3.02122 -52.9457 1.25006 -52.9457 -4.98057 16.207 1.25002 16.2069 31.1337 GPRESSAVG: 1522200 -2.64909 -52.0106 2.3836 -52.8635 -4.78755 16.8648 1.24688 17.486 29.4817 TIMING: 1522200 CPU: 4811.81, 0.00316053/step Wall: 4811.81, 0.00316053/step, 3.05325 hours remaining, 236.527344 MB of memory in use. ENERGY: 1522200 4034.3530 20442.5982 14618.3079 236.3628 -203207.7587 2768.0755 0.0000 0.0000 51871.9137 -109236.1476 298.1086 -161108.0613 -108874.8545 299.3566 -62.6229 -42.6932 762540.1483 7.7106 7.3483 PRESSURE: 1522400 -58.0108 -143.012 241.616 -143.01 -23.9871 23.6952 241.616 23.6951 -12.5384 GPRESSURE: 1522400 -26.1098 -129.255 284.299 -31.4059 -5.19953 -30.5004 153.436 0.271504 36.2614 PRESSAVG: 1522400 -37.8548 -69.4295 -7.09781 -69.4294 23.1939 -4.94348 -7.09783 -4.94351 -10.0546 GPRESSAVG: 1522400 -37.2325 -71.3458 -5.47773 -68.5367 23.6945 -4.19296 -6.39113 -5.60466 -10.8674 TIMING: 1522400 CPU: 4812.44, 0.0031493/step Wall: 4812.44, 0.0031493/step, 3.04222 hours remaining, 236.515625 MB of memory in use. ENERGY: 1522400 4015.3732 20397.4567 14570.9112 266.8111 -203448.1787 2755.6118 0.0000 0.0000 52049.1560 -109392.8586 299.1272 -161442.0146 -109029.6003 299.2269 -31.5121 1.6507 762323.4731 -8.2385 -8.1351 PRESSURE: 1522600 -3.64331 -30.9838 -10.9709 -30.984 230.273 -218.943 -10.9703 -218.944 -115.364 GPRESSURE: 1522600 11.4995 -56.5019 -82.072 35.6275 268.793 -266.333 -27.1748 -63.3067 -78.3868 PRESSAVG: 1522600 -66.6328 -0.834339 29.2592 -0.834292 69.4145 -31.3094 29.2592 -31.3094 18.4391 GPRESSAVG: 1522600 -68.3108 0.259173 27.1075 -0.468953 69.8873 -33.0022 27.7472 -29.943 19.9123 TIMING: 1522600 CPU: 4813.07, 0.00314307/step Wall: 4813.07, 0.00314307/step, 3.03603 hours remaining, 236.515625 MB of memory in use. ENERGY: 1522600 4109.1529 20370.5255 14502.5041 268.0112 -202980.5881 2582.3978 0.0000 0.0000 51779.9721 -109368.0246 297.5802 -161147.9967 -109018.7367 298.9477 37.0884 67.3020 760955.4556 7.0736 7.1630 PRESSURE: 1522800 68.6187 134.936 -94.1264 134.936 -251.722 -146.802 -94.1263 -146.801 33.1827 GPRESSURE: 1522800 95.7146 14.4706 -88.3219 -14.8033 -141.559 -87.5274 -144.356 -232.425 -7.08804 PRESSAVG: 1522800 -34.371 2.67802 -14.2654 2.678 14.828 -35.6326 -14.2654 -35.6325 10.166 GPRESSAVG: 1522800 -33.444 2.67883 -13.8357 0.373977 14.9876 -34.0597 -13.3359 -37.3851 8.84423 TIMING: 1522800 CPU: 4813.7, 0.00314524/step Wall: 4813.7, 0.00314524/step, 3.03795 hours remaining, 236.527344 MB of memory in use. ENERGY: 1522800 3905.6357 20428.6018 14448.3532 266.3928 -203154.7331 2626.1830 0.0000 0.0000 51994.8618 -109484.7048 298.8152 -161479.5666 -109117.6618 298.7657 -49.9737 -17.6440 760061.9684 -3.1257 -3.2041 PRESSURE: 1523000 -138.182 45.1259 -58.4725 45.1264 53.3546 -209.817 -58.4727 -209.817 -340.871 GPRESSURE: 1523000 -52.3872 -22.1258 -133.058 52.2766 80.8802 -287.335 88.5219 -38.3003 -357.135 PRESSAVG: 1523000 43.318 -9.26855 7.56844 -9.26854 24.5086 15.3837 7.5685 15.3839 -0.171266 GPRESSAVG: 1523000 43.5544 -9.51969 9.18487 -9.07572 22.9852 14.5534 6.89195 14.97 0.358812 TIMING: 1523000 CPU: 4814.33, 0.00314926/step Wall: 4814.33, 0.00314926/step, 3.04166 hours remaining, 236.527344 MB of memory in use. ENERGY: 1523000 3947.8322 20317.0291 14444.7449 239.8754 -202893.2847 2382.7085 0.0000 0.0000 51946.8172 -109614.2775 298.5391 -161561.0947 -109250.1515 298.7082 -141.8994 -109.5474 760262.6657 22.5518 22.2994 PRESSURE: 1523200 167.86 -135.012 -176.961 -135.011 8.08992 61.8988 -176.961 61.899 -176.659 GPRESSURE: 1523200 150.895 -105.047 -160.222 -74.0751 17.0506 -52.9822 -50.6502 64.585 -87.2054 PRESSAVG: 1523200 16.4904 -13.3155 -9.74379 -13.3155 -47.7502 8.38225 -9.74382 8.3822 17.619 GPRESSAVG: 1523200 15.5996 -12.1098 -10.9038 -11.0238 -46.7855 7.8344 -8.0554 9.30583 17.2282 TIMING: 1523200 CPU: 4814.96, 0.00314854/step Wall: 4814.96, 0.00314854/step, 3.04079 hours remaining, 236.527344 MB of memory in use. ENERGY: 1523200 3851.5975 20399.7111 14554.2851 258.6791 -203373.6389 2706.8528 0.0000 0.0000 52036.7873 -109565.7260 299.0561 -161602.5133 -109190.9760 298.4000 -0.2362 26.9133 761525.7258 -4.5469 -4.6526 PRESSURE: 1523400 -249.772 114.462 342.331 114.464 -410.89 14.9988 342.331 14.9989 -560.614 GPRESSURE: 1523400 -244.238 89.0301 372.477 118.255 -438.236 106.937 280.241 -84.1079 -464.959 PRESSAVG: 1523400 46.4606 -1.48179 -6.38566 -1.48177 -65.0228 18.5512 -6.38577 18.5513 -13.3256 GPRESSAVG: 1523400 46.9148 -0.446143 -5.21805 -3.33649 -64.9578 18.1504 -7.62107 17.5902 -14.2306 TIMING: 1523400 CPU: 4815.59, 0.00315821/step Wall: 4815.59, 0.00315821/step, 3.04995 hours remaining, 236.515625 MB of memory in use. ENERGY: 1523400 4056.3475 20462.9943 14520.9061 256.4413 -203107.0869 2332.2650 0.0000 0.0000 51803.7779 -109674.3548 297.7170 -161478.1327 -109322.2997 298.5356 -407.0919 -382.4776 761228.4362 -10.6293 -10.7579 PRESSURE: 1523600 -149.652 29.8315 247.003 29.8319 -16.2949 -62.8023 247.003 -62.8017 75.2968 GPRESSURE: 1523600 -97.8165 -67.2679 202.765 -69.5753 64.6633 -172.565 117.587 -12.7304 42.6985 PRESSAVG: 1523600 7.72319 -8.96321 -21.8105 -8.96315 -24.2773 -0.949221 -21.8105 -0.949271 0.704295 GPRESSAVG: 1523600 8.43385 -10.8797 -22.0558 -7.38926 -25.6202 -2.28658 -24.1971 -1.28825 1.13691 TIMING: 1523600 CPU: 4816.22, 0.00314275/step Wall: 4816.22, 0.00314275/step, 3.03485 hours remaining, 236.527344 MB of memory in use. ENERGY: 1523600 4024.8428 20628.8286 14502.6290 248.3358 -203347.2285 2373.8974 0.0000 0.0000 51692.2037 -109876.4911 297.0758 -161568.6948 -109520.9145 298.3196 -30.2169 3.1818 760280.7644 -5.2833 -5.3498 PRESSURE: 1523800 -167.135 -52.6929 -72.7313 -52.6934 -154.315 163.686 -72.7309 163.686 -321.093 GPRESSURE: 1523800 -230.879 -100.08 -84.8014 -21.6168 -58.3723 72.7031 -54.1278 92.6557 -281.12 PRESSAVG: 1523800 3.60206 -10.3149 -22.7877 -10.315 -28.2048 -21.6377 -22.7877 -21.6378 -10.3567 GPRESSAVG: 1523800 2.2269 -10.5331 -22.8715 -10.5711 -28.4529 -19.0493 -20.6245 -19.2782 -8.97004 TIMING: 1523800 CPU: 4816.85, 0.00314205/step Wall: 4816.85, 0.00314205/step, 3.034 hours remaining, 236.527344 MB of memory in use. ENERGY: 1523800 3969.6128 20346.3847 14532.7221 261.9572 -203619.4184 2643.6314 0.0000 0.0000 51859.5172 -110005.5931 298.0374 -161865.1102 -109637.4104 297.9195 -214.1810 -190.1238 761342.6147 -11.6531 -11.7320 PRESSURE: 1524000 142.212 -18.6027 -76.3277 -18.6028 166.737 4.04401 -76.3275 4.04585 79.1255 GPRESSURE: 1524000 140.623 51.5453 -106.29 82.3373 206.896 21.7417 99.3021 165.346 124.394 PRESSAVG: 1524000 15.1096 -36.3662 -3.94275 -36.3663 13.7403 45.5008 -3.94279 45.5008 -5.69974 GPRESSAVG: 1524000 16.6702 -33.4618 -4.65735 -37.9125 13.4267 44.7011 -4.00463 43.8841 -5.88313 TIMING: 1524000 CPU: 4817.48, 0.00315476/step Wall: 4817.48, 0.00315476/step, 3.0461 hours remaining, 236.527344 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: 1524000 3995.6549 20557.0865 14582.1996 234.9555 -203319.2337 2579.2059 0.0000 0.0000 51731.0015 -109639.1298 297.2988 -161370.1313 -109294.7387 298.4684 129.3581 157.3044 760873.2692 7.7167 8.0713 PRESSURE: 1524200 -407.306 57.3725 6.12017 57.3721 74.3636 10.805 6.1195 10.8044 -149.481 GPRESSURE: 1524200 -330.803 101.435 31.2525 93.8238 104.491 35.7461 142.454 -30.9905 -177.379 PRESSAVG: 1524200 -24.7358 26.2402 -26.9366 26.2403 -20.8089 -4.62371 -26.9366 -4.6238 -21.6421 GPRESSAVG: 1524200 -26.1471 24.7018 -23.807 27.1246 -19.8373 -4.72153 -26.8204 -5.2318 -21.4471 TIMING: 1524200 CPU: 4818.11, 0.00314685/step Wall: 4818.11, 0.00314685/step, 3.03828 hours remaining, 236.527344 MB of memory in use. ENERGY: 1524200 4076.3809 20302.0938 14504.2314 253.8783 -203939.0899 2815.3064 0.0000 0.0000 52289.4444 -109697.7549 300.5082 -161987.1992 -109345.1208 298.1069 -160.8076 -134.5636 761509.9569 -22.3956 -22.4772 LDB: ============= START OF LOAD BALANCING ============== 4830.64 LDB: ============== END OF LOAD BALANCING =============== 4830.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4830.64 LDB: ============= START OF LOAD BALANCING ============== 4830.96 LDB: Largest compute 7037 load 0.033870 is 17.3% of average load 0.195482 LDB: Average compute 0.004371 is 2.2% of average load 0.195482 LDB: TIME 4830.96 LOAD: AVG 0.195482 MAX 0.217067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.125 MB LDB: TIME 4830.96 LOAD: AVG 0.195482 MAX 0.217067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.191 MB LDB: TIME 4830.96 LOAD: AVG 0.195482 MAX 0.217067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.191 MB LDB: ============== END OF LOAD BALANCING =============== 4830.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4830.97 PRESSURE: 1524400 -2.44742 48.698 -181.247 48.6975 201.379 171.109 -181.247 171.109 207.906 GPRESSURE: 1524400 30.8899 -34.0615 -123.267 13.6149 305.12 177.432 -134.282 122.718 157.103 PRESSAVG: 1524400 5.70579 -19.0626 18.1571 -19.0626 -28.6449 22.0751 18.1571 22.0751 9.63254 GPRESSAVG: 1524400 5.69919 -19.9587 16.9051 -20.7214 -27.9408 21.8938 19.09 23.8697 9.30217 TIMING: 1524400 CPU: 4818.75, 0.00323096/step Wall: 4818.75, 0.00323096/step, 3.11931 hours remaining, 235.660156 MB of memory in use. ENERGY: 1524400 3937.3030 20461.3663 14526.8654 234.7320 -203540.2862 2978.7003 0.0000 0.0000 51983.4490 -109417.8701 298.7496 -161401.3191 -109050.4862 298.6806 135.6125 164.3712 762914.5719 -4.4355 -4.3131 PRESSURE: 1524600 -55.3139 -115.668 45.3282 -115.669 199.812 106.98 45.3283 106.98 237.384 GPRESSURE: 1524600 24.6737 -194.677 41.5314 -60.9048 194.955 106.794 -60.7232 89.6349 244.413 PRESSAVG: 1524600 -13.8373 -27.2926 -7.66988 -27.2926 21.2105 -9.95081 -7.66979 -9.95076 11.0442 GPRESSAVG: 1524600 -13.3487 -29.208 -8.21692 -26.3941 21.2721 -7.94401 -6.98284 -11.8603 10.0268 TIMING: 1524600 CPU: 4819.39, 0.00317843/step Wall: 4819.39, 0.00317843/step, 3.06842 hours remaining, 235.863281 MB of memory in use. ENERGY: 1524600 3922.3070 20420.1009 14503.6117 262.6317 -203234.9741 2585.8257 0.0000 0.0000 52097.8920 -109442.6050 299.4073 -161540.4970 -109078.7026 298.7677 127.2940 154.6806 762221.1904 6.1391 5.9834 PRESSURE: 1524800 -125.404 121.665 101.909 121.665 257.786 -22.0777 101.909 -22.0769 44.3049 GPRESSURE: 1524800 26.3767 136.164 72.3392 -9.60995 202.97 -15.9494 63.569 -59.6282 36.7115 PRESSAVG: 1524800 27.071 20.4199 39.0858 20.4199 -23.511 -21.2798 39.0858 -21.2798 -12.7991 GPRESSAVG: 1524800 28.2397 23.0367 39.4143 18.7275 -25.0872 -22.4175 37.531 -20.2474 -12.6257 TIMING: 1524800 CPU: 4820.02, 0.00315989/step Wall: 4820.02, 0.00315989/step, 3.05035 hours remaining, 235.863281 MB of memory in use. ENERGY: 1524800 3954.4008 20500.3146 14462.1671 238.7300 -203239.7120 2602.8346 0.0000 0.0000 52139.6308 -109341.6342 299.6472 -161481.2650 -108985.2651 298.8392 58.8955 88.6862 763819.5576 -3.0797 -3.1577 PRESSURE: 1525000 391.989 15.5427 -164.209 15.5414 -216.545 -247.503 -164.209 -247.502 -205.297 GPRESSURE: 1525000 263.443 38.8746 -281.584 42.7188 -14.1545 -260.432 -219.763 -245.609 -189.386 PRESSAVG: 1525000 -21.6074 -21.4728 -4.94173 -21.4728 37.4885 -44.0732 -4.94168 -44.0733 21.8434 GPRESSAVG: 1525000 -22.5493 -20.7844 -5.04933 -19.5427 38.1193 -42.428 -4.00106 -46.4085 22.1507 TIMING: 1525000 CPU: 4820.66, 0.00316943/step Wall: 4820.66, 0.00316943/step, 3.05938 hours remaining, 235.863281 MB of memory in use. ENERGY: 1525000 4044.2611 20415.3572 14601.0510 243.2460 -203890.7026 3018.0251 0.0000 0.0000 52176.6347 -109392.1274 299.8598 -161568.7621 -109034.7065 299.4701 -9.9506 19.9678 760543.8845 12.5748 12.5736 PRESSURE: 1525200 -173.026 -24.6692 108.681 -24.6695 -51.3935 -27.9462 108.681 -27.9462 150.022 GPRESSURE: 1525200 -182.714 27.6128 67.7218 -106.777 65.4428 0.717864 -15.0616 199.535 133.35 PRESSAVG: 1525200 -5.96367 -88.804 36.5332 -88.804 5.967 -23.3985 36.5333 -23.3985 -1.04049 GPRESSAVG: 1525200 -5.76338 -91.5924 36.9015 -87.5741 5.81498 -25.8615 34.4999 -20.1824 -1.58673 TIMING: 1525200 CPU: 4821.29, 0.00315711/step Wall: 4821.29, 0.00315711/step, 3.04731 hours remaining, 235.863281 MB of memory in use. ENERGY: 1525200 4020.4095 20293.7640 14562.1949 252.3487 -203232.4931 2539.7253 0.0000 0.0000 51942.3629 -109621.6879 298.5135 -161564.0508 -109257.4214 298.8089 -24.7993 5.3595 761916.8723 -0.3457 -0.5117 PRESSURE: 1525400 77.0116 201.819 -220.847 201.82 257.31 -51.5003 -220.848 -51.5003 24.8673 GPRESSURE: 1525400 88.6963 128.299 -179.301 155.575 240.493 -104.297 -187.881 -93.6309 120.699 PRESSAVG: 1525400 32.1583 6.81153 12.6022 6.81147 12.2318 -64.4365 12.6022 -64.4364 -17.0389 GPRESSAVG: 1525400 32.0826 9.64478 13.8304 5.94407 11.8374 -64.3135 11.7783 -64.9721 -16.5202 TIMING: 1525400 CPU: 4821.92, 0.00316538/step Wall: 4821.92, 0.00316538/step, 3.05512 hours remaining, 235.863281 MB of memory in use. ENERGY: 1525400 3986.0833 20519.4325 14506.4167 249.1399 -203552.7177 2982.5453 0.0000 0.0000 51645.7076 -109663.3924 296.8086 -161309.1000 -109303.4110 298.6580 119.7297 149.9630 763572.1188 9.1171 9.1333 PRESSURE: 1525600 -122.491 -133.93 164.856 -133.93 -150.182 -214.754 164.857 -214.754 69.0352 GPRESSURE: 1525600 -75.9762 -132.548 180.138 -75.0462 -115.293 -176.477 -0.568526 -302.883 69.6545 PRESSAVG: 1525600 57.1733 -9.11681 -8.30126 -9.1168 -39.4337 3.37285 -8.30127 3.3728 9.77467 GPRESSAVG: 1525600 56.6187 -11.4178 -7.73363 -8.59253 -38.2446 2.51224 -8.47519 0.979855 9.20534 TIMING: 1525600 CPU: 4822.55, 0.00315467/step Wall: 4822.55, 0.00315467/step, 3.04461 hours remaining, 235.863281 MB of memory in use. ENERGY: 1525600 3939.6235 20532.2238 14529.0478 242.6564 -203286.9904 2597.2185 0.0000 0.0000 52023.9420 -109422.2783 298.9823 -161446.2203 -109049.3492 298.4324 -67.8793 -40.5383 762230.5226 9.1714 9.1931 PRESSURE: 1525800 100.147 -191.254 5.83134 -191.254 -3.49731 31.65 5.83177 31.6486 -283.369 GPRESSURE: 1525800 164.108 -181.24 -100.814 -87.0511 -44.5872 55.1048 102.036 81.2209 -216.085 PRESSAVG: 1525800 -34.6302 -4.46997 4.75342 -4.46997 41.3267 -11.6504 4.75337 -11.6505 -13.7039 GPRESSAVG: 1525800 -34.0692 -2.93546 1.57731 -3.27304 40.1771 -11.8749 6.83486 -9.05612 -13.273 TIMING: 1525800 CPU: 4823.18, 0.00316085/step Wall: 4823.18, 0.00316085/step, 3.0504 hours remaining, 235.863281 MB of memory in use. ENERGY: 1525800 3955.0258 20413.5310 14503.3220 273.5267 -203250.8717 2584.2567 0.0000 0.0000 52017.1209 -109504.0887 298.9431 -161521.2096 -109146.6311 298.8661 -62.2397 -32.1881 764234.9483 -2.3358 -2.3884 PRESSURE: 1526000 351.7 5.10865 54.826 5.10781 348.681 24.248 54.8266 24.2468 609.599 GPRESSURE: 1526000 406.419 45.1647 191.778 60.9106 390.09 -5.63775 73.9506 45.2671 607.133 PRESSAVG: 1526000 -6.30502 -18.9914 -6.70064 -18.9914 9.13454 87.4406 -6.70066 87.4406 -8.35388 GPRESSAVG: 1526000 -6.72302 -20.015 -6.22827 -19.2674 7.8511 88.9521 -7.15809 85.1242 -6.97744 TIMING: 1526000 CPU: 4823.81, 0.00315539/step Wall: 4823.81, 0.00315539/step, 3.04495 hours remaining, 235.863281 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: 1526000 3978.3198 20468.6618 14562.6603 251.3575 -203481.3051 2829.3801 0.0000 0.0000 51818.7534 -109572.1722 297.8031 -161390.9255 -109224.3390 298.3416 436.6600 467.8807 762929.0411 -1.8415 -1.9498 PRESSURE: 1526200 -211.971 81.2589 103.182 81.2593 -46.5867 26.836 103.182 26.8368 -312.724 GPRESSURE: 1526200 -168.294 -12.1681 136.313 -33.9566 1.83788 117.425 128.654 -5.70093 -323.95 PRESSAVG: 1526200 -9.68544 -64.0498 25.3978 -64.0498 28.3615 -7.33749 25.3978 -7.33749 -14.0036 GPRESSAVG: 1526200 -8.77288 -64.1491 26.8368 -66.4399 28.8072 -8.67942 25.5155 -5.85694 -15.8702 TIMING: 1526200 CPU: 4824.44, 0.00314912/step Wall: 4824.44, 0.00314912/step, 3.03873 hours remaining, 235.863281 MB of memory in use. ENERGY: 1526200 4015.3228 20451.6408 14437.2156 242.6572 -203316.0923 2559.1036 0.0000 0.0000 52024.0472 -109586.1050 298.9829 -161610.1522 -109218.2239 298.3336 -190.4274 -163.4686 762392.1567 1.5575 1.3880 PRESSURE: 1526400 7.43254 -120.611 105.396 -120.61 78.6319 10.3563 105.395 10.3563 -56.6017 GPRESSURE: 1526400 71.9512 -71.9289 52.6502 -194.851 57.881 92.0752 20.5626 115.744 -10.3602 PRESSAVG: 1526400 21.1741 -35.2632 11.3399 -35.2632 -16.596 -18.917 11.3399 -18.917 9.25356 GPRESSAVG: 1526400 20.3571 -34.5971 10.7857 -34.6088 -16.5425 -17.5525 11.1818 -18.7013 9.69825 TIMING: 1526400 CPU: 4825.07, 0.00314399/step Wall: 4825.07, 0.00314399/step, 3.0336 hours remaining, 235.863281 MB of memory in use. ENERGY: 1526400 3956.9776 20449.7133 14512.4242 254.3427 -203564.7567 2763.7565 0.0000 0.0000 51720.5458 -109906.9967 297.2387 -161627.5425 -109542.4051 297.7178 9.8209 39.8240 762000.4507 4.6106 4.5043 PRESSURE: 1526600 307.902 13.5335 -150.819 13.5332 -393.132 -254.942 -150.819 -254.943 164.974 GPRESSURE: 1526600 252.474 64.0536 -148.523 -142.02 -223.72 -227.44 -200.337 -194.362 125 PRESSAVG: 1526600 4.56966 -4.81715 15.5157 -4.81716 -30.2605 22.6241 15.5157 22.6242 -3.90441 GPRESSAVG: 1526600 3.57761 -4.0992 14.6797 -4.03561 -28.9807 22.5655 14.9015 22.8078 -3.88163 TIMING: 1526600 CPU: 4825.71, 0.00317537/step Wall: 4825.71, 0.00317537/step, 3.0637 hours remaining, 235.863281 MB of memory in use. ENERGY: 1526600 3991.0245 20530.9197 14474.7969 224.0779 -203462.3068 2693.7698 0.0000 0.0000 51857.6328 -109690.0852 298.0265 -161547.7180 -109326.8751 297.9001 26.5815 51.2515 762420.2061 -9.8651 -9.7616 PRESSURE: 1526800 -68.6001 -11.2872 187.634 -11.2871 65.4375 -71.9938 187.634 -71.9937 -94.1004 GPRESSURE: 1526800 -122.991 -113.816 46.1077 20.3755 94.6324 -152.924 154.592 -34.5121 16.3827 PRESSAVG: 1526800 -14.7312 -18.9988 -43.3485 -18.9988 22.5789 39.0533 -43.3486 39.0533 5.87989 GPRESSAVG: 1526800 -13.5891 -19.4688 -43.5712 -18.7242 21.1489 38.6282 -42.5655 39.9552 6.04758 TIMING: 1526800 CPU: 4826.34, 0.00316915/step Wall: 4826.34, 0.00316915/step, 3.05752 hours remaining, 235.863281 MB of memory in use. ENERGY: 1526800 3918.5330 20574.4820 14478.5104 227.3248 -203669.0981 2785.5434 0.0000 0.0000 52085.1027 -109599.6019 299.3338 -161684.7046 -109237.5118 298.3336 -32.4210 -3.9921 761428.5256 4.5759 4.5358 PRESSURE: 1527000 362.632 -28.8005 -79.9102 -28.8002 -240.944 -22.8848 -79.9091 -22.8852 -12.2526 GPRESSURE: 1527000 308.4 49.7195 -75.5734 -0.188983 -76.1961 23.5943 11.6693 -69.1597 -28.0079 PRESSAVG: 1527000 -33.4086 19.0402 -33.0108 19.0403 15.6974 23.4623 -33.0109 23.4623 11.966 GPRESSAVG: 1527000 -33.907 18.5187 -31.6047 18.4774 16.336 23.823 -34.1781 21.7747 11.6255 TIMING: 1527000 CPU: 4826.98, 0.0031798/step Wall: 4826.98, 0.0031798/step, 3.06763 hours remaining, 235.863281 MB of memory in use. ENERGY: 1527000 3968.7335 20591.7501 14526.2276 246.4524 -203181.8547 2537.7361 0.0000 0.0000 51848.6758 -109462.2792 297.9751 -161310.9550 -109107.7183 298.7637 36.4785 68.0653 763153.9697 -1.9151 -1.9818 PRESSURE: 1527200 80.4767 149.735 -7.3039 149.736 -432.776 41.499 -7.30432 41.4993 37.7933 GPRESSURE: 1527200 8.74445 177.625 -30.9842 212.264 -248.361 37.173 2.10488 -34.193 18.2062 PRESSAVG: 1527200 0.13513 -17.3711 -2.14516 -17.3711 4.69757 43.1208 -2.14511 43.1208 6.39854 GPRESSAVG: 1527200 0.358718 -17.8205 -3.89146 -17.169 4.50443 41.3364 -0.251629 42.3763 6.47754 TIMING: 1527200 CPU: 4827.61, 0.00318252/step Wall: 4827.61, 0.00318252/step, 3.07007 hours remaining, 235.863281 MB of memory in use. ENERGY: 1527200 3856.9922 20622.2233 14479.4895 237.6221 -203292.9905 2523.7173 0.0000 0.0000 52181.1497 -109391.7963 299.8858 -161572.9460 -109023.7765 299.0064 -104.8353 -73.8034 762712.1122 3.7437 3.7802 PRESSURE: 1527400 273.764 38.5646 32.4029 38.5645 -104.619 60.6883 32.4036 60.6875 330.609 GPRESSURE: 1527400 278.877 -22.6598 71.1883 -25.4437 -89.4843 58.709 103.498 238.518 378.167 PRESSAVG: 1527400 25.3612 -99.9243 -10.0656 -99.9243 -30.5536 -69.1973 -10.0656 -69.1973 6.49708 GPRESSAVG: 1527400 25.6239 -100.249 -7.72831 -100.416 -31.3709 -66.5108 -11.9423 -67.652 6.88286 TIMING: 1527400 CPU: 4828.25, 0.00317381/step Wall: 4828.25, 0.00317381/step, 3.06149 hours remaining, 235.863281 MB of memory in use. ENERGY: 1527400 3942.3134 20447.0587 14489.1295 259.8567 -203731.5544 3005.7330 0.0000 0.0000 52208.0956 -109379.3675 300.0406 -161587.4632 -109010.8830 299.3016 166.5846 189.1864 761475.8219 0.4349 0.3786 PRESSURE: 1527600 234.694 55.7896 164.071 55.789 -110.388 67.5269 164.071 67.5271 171.776 GPRESSURE: 1527600 284.72 57.2182 172.714 0.691191 -111.37 -17.2577 227.138 60.6811 208.585 PRESSAVG: 1527600 46.8993 -32.0212 3.68346 -32.0211 -68.7582 44.127 3.68349 44.1271 0.848555 GPRESSAVG: 1527600 46.1894 -32.5579 1.71638 -30.9084 -68.836 43.0179 5.53586 43.1032 1.48131 TIMING: 1527600 CPU: 4828.88, 0.00316354/step Wall: 4828.88, 0.00316354/step, 3.05141 hours remaining, 235.863281 MB of memory in use. ENERGY: 1527600 3970.2591 20418.5019 14506.3471 241.2458 -203444.2322 2722.2540 0.0000 0.0000 52030.1702 -109555.4540 299.0181 -161585.6242 -109196.6255 298.9144 98.6938 127.3119 760911.0263 -7.0035 -7.0551 PRESSURE: 1527800 86.8971 -12.8318 -69.1667 -12.832 227.616 34.9803 -69.1656 34.9813 103.061 GPRESSURE: 1527800 145.449 -27.1953 -144.144 -166.125 214.174 49.1938 -33.4856 163.113 144.363 PRESSAVG: 1527800 -10.0494 -19.3081 -3.79992 -19.3081 48.0285 -12.6099 -3.79998 -12.61 -20.4382 GPRESSAVG: 1527800 -10.2493 -18.7002 -3.45591 -20.517 48.4647 -12.9798 -5.71587 -12.0412 -20.8301 TIMING: 1527800 CPU: 4829.52, 0.00316304/step Wall: 4829.52, 0.00316304/step, 3.05076 hours remaining, 235.863281 MB of memory in use. ENERGY: 1527800 3940.2730 20564.5742 14479.1341 253.9290 -203390.9763 2641.4246 0.0000 0.0000 52015.0621 -109496.5793 298.9313 -161511.6414 -109137.4970 299.0739 139.1913 167.9954 760234.8582 5.8470 5.7951 PRESSURE: 1528000 -58.843 -16.5529 -26.2536 -16.5529 -268.069 -113.721 -26.2534 -113.721 -91.0591 GPRESSURE: 1528000 -70.4298 9.08581 -85.2793 22.2116 -233.634 -207.314 160.925 -38.9703 -31.6351 PRESSAVG: 1528000 37.8577 1.97806 -22.4515 1.97801 -21.707 22.8914 -22.4515 22.8914 10.1338 GPRESSAVG: 1528000 37.2048 3.37607 -22.275 1.27679 -20.5244 22.897 -20.7163 25.4031 9.71733 TIMING: 1528000 CPU: 4830.14, 0.00314719/step Wall: 4830.14, 0.00314719/step, 3.03529 hours remaining, 235.863281 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: 1528000 4010.1089 20653.3931 14549.4642 259.3169 -203344.5223 2320.1213 0.0000 0.0000 51954.8609 -109597.2571 298.5853 -161552.1179 -109235.2110 298.8402 -139.3235 -111.8996 759411.0158 8.7615 8.7992 PRESSURE: 1528200 -247.705 -70.376 103.591 -70.3764 -61.9285 -43.1565 103.589 -43.1569 -261.567 GPRESSURE: 1528200 -137.629 -41.9256 144.791 -86.4128 -138.691 -90.382 -77.8168 -44.0053 -225.467 PRESSAVG: 1528200 48.0558 -8.77999 -50.5597 -8.78001 -66.2565 -30.152 -50.5597 -30.1521 -15.1729 GPRESSAVG: 1528200 51.502 -8.08259 -48.8232 -9.43023 -68.3524 -29.97 -52.169 -33.6881 -16.7358 TIMING: 1528200 CPU: 4830.77, 0.00314452/step Wall: 4830.77, 0.00314452/step, 3.03254 hours remaining, 235.863281 MB of memory in use. ENERGY: 1528200 4000.2245 20402.3241 14525.2078 237.0787 -202988.4203 2258.5487 0.0000 0.0000 52014.2988 -109550.7378 298.9269 -161565.0366 -109177.2528 298.8053 -190.4002 -167.2626 762359.8229 -11.1245 -11.1954 LDB: ============= START OF LOAD BALANCING ============== 4843.31 LDB: ============== END OF LOAD BALANCING =============== 4843.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4843.31 LDB: ============= START OF LOAD BALANCING ============== 4843.63 LDB: Largest compute 7037 load 0.032608 is 16.7% of average load 0.195565 LDB: Average compute 0.004382 is 2.2% of average load 0.195565 LDB: TIME 4843.63 LOAD: AVG 0.195565 MAX 0.214455 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.609 MB LDB: TIME 4843.63 LOAD: AVG 0.195565 MAX 0.214455 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.609 MB LDB: TIME 4843.63 LOAD: AVG 0.195565 MAX 0.214455 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.609 MB LDB: ============== END OF LOAD BALANCING =============== 4843.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4843.64 PRESSURE: 1528400 279.948 107.759 -66.0151 107.76 -70.0802 22.1897 -66.0158 22.1896 -35.4622 GPRESSURE: 1528400 257.723 70.0819 -117.567 80.6761 50.1367 47.9617 23.9819 8.08388 -20.5673 PRESSAVG: 1528400 54.6312 33.5891 -6.7085 33.5892 -35.831 -0.30189 -6.70854 -0.30179 8.7376 GPRESSAVG: 1528400 52.65 32.3325 -7.8608 35.5104 -34.7311 -0.75101 -7.65776 -0.599996 9.3552 TIMING: 1528400 CPU: 4831.42, 0.00322848/step Wall: 4831.42, 0.00322848/step, 3.11333 hours remaining, 234.328125 MB of memory in use. ENERGY: 1528400 4045.3396 20654.1329 14521.5022 258.2734 -203760.1292 2768.1150 0.0000 0.0000 51945.3757 -109567.3904 298.5308 -161512.7661 -109210.8486 298.7507 58.1351 95.7642 761611.0802 9.1792 9.0913 PRESSURE: 1528600 -160.238 52.9464 -95.9911 52.9463 112.238 -87.5167 -95.9918 -87.5168 17.6363 GPRESSURE: 1528600 -143.551 -56.5744 -86.7807 -49.6426 184.01 52.4757 -181.686 -199.775 20.2806 PRESSAVG: 1528600 73.6877 -23.6148 -15.1403 -23.6148 -7.86755 -30.2901 -15.1403 -30.2901 38.2887 GPRESSAVG: 1528600 74.8331 -24.3197 -13.7138 -24.8697 -8.54856 -29.5222 -14.9374 -31.7363 37.99 TIMING: 1528600 CPU: 4832.05, 0.00315786/step Wall: 4832.05, 0.00315786/step, 3.04505 hours remaining, 234.531250 MB of memory in use. ENERGY: 1528600 3966.6284 20458.2933 14557.0334 254.1784 -203240.3034 2509.0711 0.0000 0.0000 51873.8054 -109621.2933 298.1195 -161495.0987 -109253.3893 298.6431 -10.1212 20.2467 763531.9705 34.7030 34.7582 PRESSURE: 1528800 246.5 -14.006 113.59 -14.0057 -167.177 -27.9084 113.591 -27.9082 159.812 GPRESSURE: 1528800 230.811 16.6053 79.2856 -143.131 -91.9408 21.207 181.125 -22.4856 186.957 PRESSAVG: 1528800 -3.4324 -8.55767 -44.1934 -8.55767 -8.18925 7.47067 -44.1933 7.47063 2.6412 GPRESSAVG: 1528800 -4.72047 -8.20046 -46.0145 -7.06501 -8.22367 6.56103 -42.7922 9.05102 3.68202 TIMING: 1528800 CPU: 4832.68, 0.00315938/step Wall: 4832.68, 0.00315938/step, 3.04635 hours remaining, 234.531250 MB of memory in use. ENERGY: 1528800 4005.9698 20587.9523 14562.2328 238.6314 -203756.0344 2914.2925 0.0000 0.0000 52133.6556 -109313.2999 299.6128 -161446.9555 -108943.8920 298.8268 79.7117 108.6091 762311.3228 -2.9935 -3.0874 PRESSURE: 1529000 49.9846 -36.1429 -463.159 -36.1431 256.122 -30.8544 -463.158 -30.8544 -242.755 GPRESSURE: 1529000 21.5381 -8.35054 -482.935 -60.1145 346.046 -109.002 -349.838 67.3805 -232.265 PRESSAVG: 1529000 25.4866 -22.5213 -2.94654 -22.5213 -23.2796 6.00715 -2.94657 6.00711 -5.96971 GPRESSAVG: 1529000 27.2798 -22.3714 -2.85229 -22.7797 -22.7995 4.84071 -3.43191 8.01893 -8.01777 TIMING: 1529000 CPU: 4833.31, 0.00315711/step Wall: 4833.31, 0.00315711/step, 3.04398 hours remaining, 234.531250 MB of memory in use. ENERGY: 1529000 3978.5664 20599.6133 14621.3178 246.0823 -203661.9231 2705.5426 0.0000 0.0000 52231.5413 -109279.2593 300.1754 -161510.8006 -108916.4560 299.7443 21.1173 45.1064 762975.1496 -1.2542 -1.1792 PRESSURE: 1529200 -373.184 -98.1276 -16.1575 -98.127 -226.768 -156.876 -16.1566 -156.875 7.43108 GPRESSURE: 1529200 -371.679 -97.6439 8.69642 -88.2899 -131.431 -68.3995 -105.187 -255.865 37.1074 PRESSAVG: 1529200 14.4723 -32.0507 -46.8326 -32.0507 3.41764 3.48525 -46.8326 3.48522 -17.147 GPRESSAVG: 1529200 13.1201 -31.696 -46.457 -33.0295 4.05819 4.40519 -45.0873 3.80141 -15.6556 TIMING: 1529200 CPU: 4833.95, 0.00316382/step Wall: 4833.95, 0.00316382/step, 3.05028 hours remaining, 234.531250 MB of memory in use. ENERGY: 1529200 4088.7013 20431.2516 14546.3092 247.5357 -203343.9948 2435.1146 0.0000 0.0000 52237.9860 -109357.0963 300.2124 -161595.0823 -108988.7710 299.1383 -197.5069 -155.3342 762616.7884 0.2476 0.5075 PRESSURE: 1529400 -200.838 106.228 116.699 106.228 154.37 176.12 116.699 176.12 -734.136 GPRESSURE: 1529400 -154.248 10.6218 149.3 114.048 88.5389 160.15 44.3651 77.4169 -621.672 PRESSAVG: 1529400 13.3195 9.32351 -22.2206 9.32352 -12.5604 46.798 -22.2206 46.7981 3.09108 GPRESSAVG: 1529400 14.464 9.38719 -22.831 10.8225 -13.027 47.0514 -24.2809 44.5992 2.66366 TIMING: 1529400 CPU: 4834.58, 0.00315919/step Wall: 4834.58, 0.00315919/step, 3.04563 hours remaining, 234.531250 MB of memory in use. ENERGY: 1529400 4051.3368 20620.3278 14568.1068 264.8290 -203597.4024 2606.7389 0.0000 0.0000 52198.3201 -109287.7431 299.9845 -161486.0632 -108929.0125 299.9172 -260.2015 -229.1273 761708.9241 1.2834 1.3669 PRESSURE: 1529600 -105.278 -175.481 -64.5159 -175.481 79.3448 -206.383 -64.5163 -206.382 270.079 GPRESSURE: 1529600 2.62127 -155.88 -123.977 -125.418 33.7802 -49.2888 34.2805 -136.481 282.153 PRESSAVG: 1529600 11.6082 -77.5033 -9.87529 -77.5032 21.7933 6.96824 -9.87526 6.96833 -10.8022 GPRESSAVG: 1529600 11.1739 -74.6578 -11.1876 -79.7432 21.1998 8.53161 -9.13606 6.68196 -10.5536 TIMING: 1529600 CPU: 4835.21, 0.00317659/step Wall: 4835.21, 0.00317659/step, 3.06224 hours remaining, 234.531250 MB of memory in use. ENERGY: 1529600 3971.1742 20638.2816 14493.5368 251.9733 -203678.7625 2813.9726 0.0000 0.0000 52116.7239 -109393.1000 299.5155 -161509.8238 -109035.3504 299.0884 81.3820 106.1848 761988.0499 7.5331 7.2734 PRESSURE: 1529800 -213.913 80.8099 29.9175 80.8099 -155.901 -116.049 29.9181 -116.049 -148.203 GPRESSURE: 1529800 -148.937 67.3622 49.4802 29.0528 -97.4839 -121.994 -82.4298 -178.895 -197.501 PRESSAVG: 1529800 19.8624 -39.775 -21.4572 -39.775 -40.3271 -22.7131 -21.4572 -22.713 -18.4476 GPRESSAVG: 1529800 19.5105 -41.9938 -20.0335 -39.4695 -39.1482 -23.4659 -22.6702 -23.5377 -18.7683 TIMING: 1529800 CPU: 4835.85, 0.00316406/step Wall: 4835.85, 0.00316406/step, 3.04998 hours remaining, 234.531250 MB of memory in use. ENERGY: 1529800 4011.4216 20545.6451 14551.1500 245.0966 -204018.6961 2981.0209 0.0000 0.0000 51824.7469 -109859.6149 297.8375 -161684.3618 -109492.4083 299.2120 -172.6722 -147.9738 762141.0660 -12.9708 -12.8020 PRESSURE: 1530000 263.074 88.9795 -126.218 88.98 -233.802 -47.3982 -126.219 -47.3991 -244.095 GPRESSURE: 1530000 279.668 97.4418 -143.292 72.1274 -216.171 -85.9611 -7.18674 96.8583 -207.96 PRESSAVG: 1530000 -27.6812 15.5603 -28.679 15.5602 16.7602 -8.96993 -28.6791 -8.96994 16.3358 GPRESSAVG: 1530000 -28.3857 13.8 -28.5415 16.9911 17.6768 -8.92943 -28.3985 -7.0771 16.186 TIMING: 1530000 CPU: 4836.48, 0.00318019/step Wall: 4836.48, 0.00318019/step, 3.06535 hours remaining, 234.531250 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: 1530000 3953.6555 20522.2522 14573.8828 254.1893 -203587.1220 2658.2478 0.0000 0.0000 51933.1474 -109691.7470 298.4605 -161624.8944 -109330.8451 298.6504 -71.6077 -48.1543 762660.3797 1.8049 1.8257 PRESSURE: 1530200 174.392 -2.51196 -70.113 -2.51149 -69.6469 130.258 -70.113 130.257 -253.1 GPRESSURE: 1530200 163.908 -149.107 -44.8903 -66.9192 35.4227 173.172 -181.001 13.5112 -255.678 PRESSAVG: 1530200 -0.342569 -19.6155 4.38475 -19.6155 2.635 -4.12296 4.38473 -4.12298 20.4468 GPRESSAVG: 1530200 -0.048695 -18.0003 4.04368 -20.736 1.80155 -5.94593 5.11228 -4.38368 20.9768 TIMING: 1530200 CPU: 4837.12, 0.00316508/step Wall: 4837.12, 0.00316508/step, 3.05061 hours remaining, 234.531250 MB of memory in use. ENERGY: 1530200 3911.5334 20499.1803 14548.8031 261.3976 -203590.5022 2716.9276 0.0000 0.0000 51803.1097 -109849.5505 297.7132 -161652.6602 -109484.8666 298.1157 -49.4514 -18.7823 760893.5334 7.5797 7.5766 PRESSURE: 1530400 -327.53 47.6235 4.04264 47.6233 -240.761 -51.7627 4.04275 -51.7628 77.0218 GPRESSURE: 1530400 -280.914 29.3971 38.697 122.237 -134.284 26.5116 71.811 -97.4668 29.0554 PRESSAVG: 1530400 -0.0489582 10.6839 -49.1557 10.6839 -7.2151 -68.576 -49.1558 -68.576 -28.6048 GPRESSAVG: 1530400 -0.379309 9.30642 -49.2245 11.4815 -6.21273 -67.811 -49.3117 -66.6926 -28.7718 TIMING: 1530400 CPU: 4837.75, 0.0031649/step Wall: 4837.75, 0.0031649/step, 3.05026 hours remaining, 234.531250 MB of memory in use. ENERGY: 1530400 3901.7059 20330.5515 14541.6932 251.2710 -203611.3727 2470.9447 0.0000 0.0000 52061.5143 -110053.6921 299.1982 -162115.2064 -109688.4466 298.8461 -163.7563 -128.7139 761347.6942 -11.9563 -11.7880 PRESSURE: 1530600 251.811 -41.0664 -156.389 -41.0673 -99.1541 196.595 -156.388 196.595 339.92 GPRESSURE: 1530600 290.999 -116.474 -118.51 -89.8871 -66.3071 209.331 1.58241 138.206 373.41 PRESSAVG: 1530600 0.593127 -48.511 8.07909 -48.511 49.793 -8.12929 8.07906 -8.12917 -4.78146 GPRESSAVG: 1530600 1.50395 -47.0102 7.62287 -48.1985 48.9698 -7.26647 7.94838 -8.99545 -5.5505 TIMING: 1530600 CPU: 4838.39, 0.00318454/step Wall: 4838.39, 0.00318454/step, 3.06901 hours remaining, 234.531250 MB of memory in use. ENERGY: 1530600 3953.2205 20410.3554 14529.0375 248.9655 -203860.8182 2822.0892 0.0000 0.0000 51766.2698 -110130.8802 297.5015 -161897.1500 -109766.4795 297.8519 164.1924 199.3670 760032.1812 15.2016 14.9744 PRESSURE: 1530800 254.618 84.7897 -188.477 84.789 178.653 -224.102 -188.476 -224.104 306.512 GPRESSURE: 1530800 336.107 167.53 -238.555 73.0151 241.724 -217.714 -132.573 -82.5114 238.398 PRESSAVG: 1530800 65.803 14.6129 7.51109 14.6129 -21.6593 5.42049 7.51118 5.42056 24.2177 GPRESSAVG: 1530800 65.3302 14.2717 8.29236 14.4942 -21.9192 5.57642 8.35027 5.70525 25.1817 TIMING: 1530800 CPU: 4839.02, 0.00316932/step Wall: 4839.02, 0.00316931/step, 3.05416 hours remaining, 234.531250 MB of memory in use. ENERGY: 1530800 3956.8998 20351.9519 14494.4691 263.6036 -204095.6564 3067.3493 0.0000 0.0000 51930.6498 -110030.7330 298.4462 -161961.3828 -109667.2012 297.6108 246.5945 272.0761 760371.6303 22.7871 22.8642 PRESSURE: 1531000 7.29635 -148.404 113.176 -148.404 -242.504 55.7247 113.177 55.7247 -321.196 GPRESSURE: 1531000 24.3856 -161.477 35.8528 -132.061 -188.904 3.72945 89.2227 75.6929 -306.246 PRESSAVG: 1531000 75.6607 -14.5192 10.8519 -14.5192 -56.742 -17.9648 10.852 -17.9648 9.92002 GPRESSAVG: 1531000 75.0172 -14.2801 9.68581 -14.2174 -56.6227 -19.2421 9.22182 -18.2688 9.77203 TIMING: 1531000 CPU: 4839.65, 0.0031478/step Wall: 4839.65, 0.0031478/step, 3.03325 hours remaining, 234.531250 MB of memory in use. ENERGY: 1531000 4036.4124 20371.1449 14512.9787 229.5762 -203359.5106 2476.7432 0.0000 0.0000 51841.8890 -109890.7662 297.9360 -161732.6552 -109540.7300 298.0626 -185.4680 -156.9214 760198.0858 9.6129 9.3889 PRESSURE: 1531200 15.2835 108.268 -56.3626 108.268 -239.938 7.16357 -56.3628 7.16424 -95.5746 GPRESSURE: 1531200 69.2966 29.2001 -32.556 118.082 -200.476 83.9066 1.18111 13.6451 -106.768 PRESSAVG: 1531200 30.3802 4.8172 24.2889 4.81721 -31.4345 4.04334 24.2889 4.04341 -7.50442 GPRESSAVG: 1531200 29.8612 3.04548 25.9152 4.61336 -30.6723 4.60861 25.2201 5.21462 -8.12116 TIMING: 1531200 CPU: 4840.28, 0.00316968/step Wall: 4840.28, 0.00316968/step, 3.05416 hours remaining, 234.531250 MB of memory in use. ENERGY: 1531200 4043.7243 20423.7113 14570.8572 232.8742 -203560.4096 2678.1077 0.0000 0.0000 51816.9725 -109794.1624 297.7929 -161611.1350 -109437.1008 298.0668 -106.7429 -79.3157 760415.0921 -2.8529 -2.9775 PRESSURE: 1531400 -216.333 -94.7551 84.4786 -94.7557 77.609 -121.625 84.4785 -121.626 18.8419 GPRESSURE: 1531400 -273.951 44.318 97.9381 -116.19 140.001 -56.6446 74.1182 -41.9593 93.5422 PRESSAVG: 1531400 35.7375 9.57899 5.90324 9.57895 -48.6833 21.7232 5.90328 21.7231 -7.04226 GPRESSAVG: 1531400 35.4027 10.9856 4.00194 9.01778 -48.5784 21.2959 5.79815 20.4665 -6.82543 TIMING: 1531400 CPU: 4840.92, 0.00316047/step Wall: 4840.92, 0.00316047/step, 3.04511 hours remaining, 234.531250 MB of memory in use. ENERGY: 1531400 3953.6135 20482.7100 14643.4564 238.5889 -203233.9803 2473.3870 0.0000 0.0000 51572.6639 -109869.5606 296.3888 -161442.2245 -109520.5109 298.3277 -39.9608 -13.4693 760273.0537 -6.6627 -6.6670 PRESSURE: 1531600 -60.343 -141.108 27.5244 -141.108 -253.676 -1.29688 27.5252 -1.29626 161.316 GPRESSURE: 1531600 13.3107 -44.2692 14.0816 -131.276 -196.293 33.8029 46.2754 -80.3069 101.682 PRESSAVG: 1531600 26.4159 -35.7232 29.1528 -35.7232 8.04985 -7.42307 29.1528 -7.42303 17.4843 GPRESSAVG: 1531600 28.1563 -35.3706 29.9819 -34.8406 7.0026 -5.88733 29.657 -7.31065 17.5905 TIMING: 1531600 CPU: 4841.55, 0.00315073/step Wall: 4841.55, 0.00315073/step, 3.03555 hours remaining, 234.531250 MB of memory in use. ENERGY: 1531600 3959.6499 20474.0717 14540.4294 248.4619 -203226.2255 2447.2469 0.0000 0.0000 51770.7675 -109785.5982 297.5273 -161556.3657 -109430.6295 297.5938 -50.9013 -27.0999 761791.8897 17.3167 17.5831 PRESSURE: 1531800 -285.299 -251.265 19.5888 -251.265 -358.33 -75.4293 19.5885 -75.4298 -558.065 GPRESSURE: 1531800 -169.138 -294.572 -34.8208 -358.602 -403.551 -135.476 27.4301 -29.7735 -547.027 PRESSAVG: 1531800 11.9007 -49.8961 -6.10089 -49.8961 8.29141 32.804 -6.10088 32.804 3.09853 GPRESSAVG: 1531800 11.1949 -49.2906 -4.87108 -50.6565 8.30774 31.6313 -6.71309 32.0298 3.39023 TIMING: 1531800 CPU: 4842.17, 0.0031407/step Wall: 4842.17, 0.0031407/step, 3.02572 hours remaining, 234.531250 MB of memory in use. ENERGY: 1531800 4020.0871 20475.6852 14533.4894 242.0010 -203279.9670 2325.5013 0.0000 0.0000 51965.9944 -109717.2086 298.6493 -161683.2030 -109346.6537 297.7847 -400.5650 -373.2385 762978.5476 7.7636 7.6310 PRESSURE: 1532000 -59.5516 308.779 -9.43357 308.779 -7.62269 18.2011 -9.43364 18.2004 -118.451 GPRESSURE: 1532000 -28.9425 167.505 53.3642 301.767 -12.556 43.2996 -12.6138 51.9297 -54.1865 PRESSAVG: 1532000 -24.2798 -7.42054 -29.1891 -7.42044 -6.36125 -43.6063 -29.1892 -43.6063 3.37513 GPRESSAVG: 1532000 -23.6798 -8.90008 -29.8275 -7.43538 -6.31914 -43.5943 -30.0177 -43.589 3.22307 TIMING: 1532000 CPU: 4842.8, 0.00314755/step Wall: 4842.8, 0.00314755/step, 3.03214 hours remaining, 234.531250 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: 1532000 4101.6511 20481.4468 14570.0979 240.1669 -203512.0065 2696.9086 0.0000 0.0000 51814.7645 -109606.9707 297.7802 -161421.7352 -109249.8793 298.3879 -61.8750 -31.8950 760904.1093 -9.0886 -8.9253 PRESSURE: 1532200 -148.626 51.8381 -16.627 51.8383 -13.8386 167.009 -16.6262 167.009 95.7908 GPRESSURE: 1532200 9.14371 8.92986 -63.2141 0.901501 17.0348 202.584 117.89 71.5312 -4.12168 PRESSAVG: 1532200 2.58648 12.061 -20.5411 12.061 -24.6618 -1.7783 -20.5411 -1.77828 3.48036 GPRESSAVG: 1532200 2.1747 14.7013 -22.0264 13.2673 -24.8309 -3.37027 -17.5101 -1.40659 3.70747 TIMING: 1532200 CPU: 4843.44, 0.00316477/step Wall: 4843.44, 0.00316477/step, 3.04856 hours remaining, 234.531250 MB of memory in use. ENERGY: 1532200 3999.5346 20442.9839 14525.0284 219.3862 -203288.9324 2644.4825 0.0000 0.0000 51879.6266 -109577.8901 298.1529 -161457.5167 -109213.8604 298.5158 -22.2246 7.3523 761870.7241 -6.1983 -6.3162 LDB: ============= START OF LOAD BALANCING ============== 4855.97 LDB: ============== END OF LOAD BALANCING =============== 4855.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4855.97 LDB: ============= START OF LOAD BALANCING ============== 4856.29 LDB: Largest compute 7037 load 0.032643 is 16.7% of average load 0.195372 LDB: Average compute 0.004402 is 2.3% of average load 0.195372 LDB: TIME 4856.29 LOAD: AVG 0.195372 MAX 0.216754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.352 MB LDB: TIME 4856.29 LOAD: AVG 0.195372 MAX 0.216754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.367 MB LDB: TIME 4856.29 LOAD: AVG 0.195372 MAX 0.216754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.367 MB LDB: ============== END OF LOAD BALANCING =============== 4856.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4856.3 PRESSURE: 1532400 -42.4695 137.838 84.9266 137.838 43.9528 93.7663 84.9267 93.7654 146.905 GPRESSURE: 1532400 55.115 21.6891 64.2928 245.645 83.5151 140.08 -44.7443 56.8225 89.0097 PRESSAVG: 1532400 25.3761 -15.9995 10.0595 -15.9996 19.2677 38.3752 10.0594 38.3751 -5.66874 GPRESSAVG: 1532400 25.6269 -17.4133 11.7005 -15.5404 19.8692 39.7881 6.49601 38.2398 -6.45764 TIMING: 1532400 CPU: 4844.08, 0.00323338/step Wall: 4844.08, 0.00323338/step, 3.11447 hours remaining, 234.855469 MB of memory in use. ENERGY: 1532400 3969.9700 20444.0406 14583.8410 252.5195 -203052.2498 2423.4684 0.0000 0.0000 52114.8513 -109263.5590 299.5048 -161378.4103 -108910.7916 298.9894 49.4629 75.8799 761064.5866 12.9917 13.0128 PRESSURE: 1532600 -161.96 33.9429 311.962 33.9429 -73.3163 -0.151643 311.963 -0.151329 -72.8942 GPRESSURE: 1532600 -64.9747 -127.8 226.519 77.1314 -142.227 -76.1113 201.904 -14.8524 -15.6475 PRESSAVG: 1532600 29.2659 -26.8336 -0.540693 -26.8335 -17.1252 -14.3322 -0.540661 -14.3323 -21.1426 GPRESSAVG: 1532600 28.6248 -26.8637 -2.32032 -26.3289 -18.4887 -15.8881 0.831975 -13.9621 -19.37 TIMING: 1532600 CPU: 4844.71, 0.00315291/step Wall: 4844.71, 0.00315291/step, 3.03678 hours remaining, 234.855469 MB of memory in use. ENERGY: 1532600 3961.8257 20529.0399 14627.1386 216.8591 -203224.6532 2640.2866 0.0000 0.0000 52100.1561 -109149.3472 299.4203 -161249.5033 -108793.0730 299.3341 -102.7234 -74.2830 762641.5202 -3.0006 -3.0780 PRESSURE: 1532800 190.308 -119.949 -166.664 -119.95 -154.524 -112.084 -166.665 -112.084 -267.762 GPRESSURE: 1532800 177.91 -172.692 -248.388 -115.914 -135.114 -158.556 -39.7135 -21.4353 -198.774 PRESSAVG: 1532800 51.4494 22.7691 -33.2353 22.7691 -65.3936 -55.4297 -33.2352 -55.4296 -15.8403 GPRESSAVG: 1532800 51.191 22.0595 -33.5472 20.6669 -65.1202 -53.2507 -33.0975 -56.9336 -15.8153 TIMING: 1532800 CPU: 4845.35, 0.00316351/step Wall: 4845.35, 0.00316351/step, 3.04681 hours remaining, 234.855469 MB of memory in use. ENERGY: 1532800 4025.4845 20575.2438 14613.6230 227.6540 -202941.0547 2496.7118 0.0000 0.0000 51812.3267 -109190.0108 297.7662 -161002.3375 -108840.9981 299.2890 -77.3258 -51.9928 764178.5905 -9.9282 -9.9148 PRESSURE: 1533000 37.3921 -114.746 33.4762 -114.746 -120.677 -102.401 33.4768 -102.401 -43.3872 GPRESSURE: 1533000 12.2433 -60.093 115.75 -119.765 -78.1351 -55.3087 -22.2927 -87.3283 6.21828 PRESSAVG: 1533000 15.7961 -50.5425 -45.4231 -50.5425 -53.2234 -0.446069 -45.4231 -0.446039 27.6068 GPRESSAVG: 1533000 15.3063 -48.3743 -44.3069 -51.2484 -51.4392 -0.493488 -44.8668 0.779025 26.3314 TIMING: 1533000 CPU: 4845.98, 0.00316821/step Wall: 4845.98, 0.00316821/step, 3.05117 hours remaining, 234.855469 MB of memory in use. ENERGY: 1533000 3898.4817 20454.7081 14614.2772 262.8943 -203199.8490 2373.1117 0.0000 0.0000 52262.6622 -109333.7139 300.3542 -161596.3760 -108964.2046 299.6087 -42.2239 -19.8912 763376.0504 -3.2735 -3.2672 PRESSURE: 1533200 -176.023 67.71 134.263 67.7099 -56.4784 -68.8053 134.263 -68.8058 -196.575 GPRESSURE: 1533200 -117.435 81.8087 215.093 -33.8618 -62.3086 -63.5723 -0.430724 -82.7517 -146.219 PRESSAVG: 1533200 72.876 -31.0264 17.9823 -31.0264 -35.8436 -7.80982 17.9823 -7.80982 6.19283 GPRESSAVG: 1533200 72.9346 -33.0436 16.4455 -28.0954 -36.7299 -8.97749 15.0256 -8.43917 7.32486 TIMING: 1533200 CPU: 4846.62, 0.00318175/step Wall: 4846.62, 0.00318175/step, 3.06402 hours remaining, 234.855469 MB of memory in use. ENERGY: 1533200 3987.0001 20461.2015 14582.4598 239.9128 -203439.0710 2548.0327 0.0000 0.0000 52333.1174 -109287.3468 300.7591 -161620.4642 -108919.5796 299.1372 -143.0252 -108.6541 761228.8776 14.4084 14.5098 PRESSURE: 1533400 -12.5053 -181.367 -46.8657 -181.366 -261.35 -81.8378 -46.8659 -81.8381 138.419 GPRESSURE: 1533400 2.92162 -65.9065 -92.7114 -163.489 -264.068 -12.579 33.07 -88.6851 193.312 PRESSAVG: 1533400 47.1014 27.9455 -65.6099 27.9455 -28.5085 -21.9994 -65.6099 -21.9993 14.3892 GPRESSAVG: 1533400 48.0237 29.2578 -64.8603 26.0985 -28.6449 -20.5418 -61.2367 -22.8004 13.8158 TIMING: 1533400 CPU: 4847.25, 0.00316646/step Wall: 4847.25, 0.00316646/step, 3.04912 hours remaining, 234.855469 MB of memory in use. ENERGY: 1533400 3907.0823 20597.1358 14586.0929 262.1304 -203421.7509 2495.2531 0.0000 0.0000 52249.5562 -109324.5002 300.2789 -161574.0564 -108968.7120 299.8071 -45.1456 -22.6114 763700.5194 10.9940 11.0649 PRESSURE: 1533600 39.82 -104.041 86.3218 -104.04 -26.0605 -87.2932 86.3225 -87.2934 -346.487 GPRESSURE: 1533600 113.77 -143.938 -16.6097 -26.479 -17.4084 -28.9812 29.1149 -179.156 -346.965 PRESSAVG: 1533600 32.8997 -20.8482 -25.8126 -20.8482 3.64629 -44.6679 -25.8127 -44.6679 -1.82825 GPRESSAVG: 1533600 32.9824 -22.3462 -24.2692 -18.8252 3.206 -44.9439 -29.726 -43.8801 -1.36163 TIMING: 1533600 CPU: 4847.88, 0.0031437/step Wall: 4847.88, 0.0031437/step, 3.02703 hours remaining, 234.855469 MB of memory in use. ENERGY: 1533600 3965.7496 20543.1186 14497.8543 240.2008 -203237.5196 2704.5072 0.0000 0.0000 51848.3226 -109437.7666 297.9730 -161286.0892 -109073.5016 299.1074 -110.9091 -83.5344 764210.6378 11.5726 11.6089 PRESSURE: 1533800 -423.999 23.8175 -225.366 23.8176 -271.086 77.2245 -225.366 77.2243 -300.473 GPRESSURE: 1533800 -382.515 114.669 -207.242 -93.7093 -238.61 136.19 -205.828 -138.121 -307.043 PRESSAVG: 1533800 -23.4029 7.80114 -0.0249256 7.80108 73.5846 -73.7485 -0.0248976 -73.7484 -4.63917 GPRESSAVG: 1533800 -22.0788 9.61565 -0.816169 5.96117 72.0379 -75.6926 2.34473 -72.0829 -4.86447 TIMING: 1533800 CPU: 4848.51, 0.00316119/step Wall: 4848.51, 0.00316119/step, 3.0437 hours remaining, 235.046875 MB of memory in use. ENERGY: 1533800 4015.9449 20534.3241 14504.8616 256.8216 -202770.6192 1922.6064 0.0000 0.0000 52051.6253 -109484.4352 299.1414 -161536.0605 -109118.3965 299.1385 -331.8526 -309.3892 763148.0537 15.1808 15.0315 PRESSURE: 1534000 161.195 39.454 137.723 39.454 119.034 90.1757 137.723 90.1759 346.098 GPRESSURE: 1534000 162.059 -64.0134 105.828 205.116 165.247 147.806 241.27 50.2547 378.363 PRESSAVG: 1534000 -32.6605 -21.7763 -24.9235 -21.7763 22.743 -0.328065 -24.9235 -0.328134 4.46411 GPRESSAVG: 1534000 -33.6233 -22.0905 -25.3542 -21.1097 24.8923 0.247356 -25.1515 -2.6656 4.18726 TIMING: 1534000 CPU: 4849.14, 0.00316723/step Wall: 4849.14, 0.00316723/step, 3.04933 hours remaining, 235.058594 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: 1534000 3970.9926 20641.6755 14563.4971 248.5380 -203283.6572 2763.2314 0.0000 0.0000 51699.0696 -109396.6528 297.1153 -161095.7225 -109039.7581 298.9081 208.7757 235.2229 761015.8025 -1.8178 -1.5146 PRESSURE: 1534200 -155.017 -272.759 -56.3835 -272.76 -378.811 -71.3364 -56.3838 -71.3366 151.208 GPRESSURE: 1534200 -102.515 -137.231 -187.419 -249.512 -383.787 -19.4242 -56.7711 -108.048 180.525 PRESSAVG: 1534200 -60.1805 -70.8733 -15.0812 -70.8732 42.7601 52.7294 -15.0812 52.7295 -17.8569 GPRESSAVG: 1534200 -60.2668 -72.7314 -14.0627 -73.4882 41.4309 54.0314 -18.1656 53.7401 -16.7667 TIMING: 1534200 CPU: 4849.77, 0.00315744/step Wall: 4849.77, 0.00315744/step, 3.03974 hours remaining, 235.058594 MB of memory in use. ENERGY: 1534200 3975.2554 20507.8953 14531.2852 250.1457 -203318.2131 2675.4890 0.0000 0.0000 52014.3258 -109363.8167 298.9270 -161378.1425 -108998.2068 298.8796 -127.5400 -101.9254 762838.0858 -11.7591 -11.8675 PRESSURE: 1534400 148.197 104.858 -262.705 104.858 -684.104 25.7446 -262.704 25.7461 -35.447 GPRESSURE: 1534400 86.3818 26.217 -134.976 -31.3349 -568.489 42.2001 -93.6228 86.5198 -6.11826 PRESSAVG: 1534400 33.5089 -129.181 -5.78342 -129.181 -16.2794 31.1061 -5.78345 31.1061 -10.8093 GPRESSAVG: 1534400 32.8057 -126.004 -6.49455 -128.369 -15.1938 31.0309 -2.21749 31.7625 -11.2548 TIMING: 1534400 CPU: 4850.4, 0.00313208/step Wall: 4850.4, 0.00313208/step, 3.01515 hours remaining, 235.058594 MB of memory in use. ENERGY: 1534400 4033.3543 20427.7259 14550.6988 235.6620 -203439.9824 2745.4256 0.0000 0.0000 52052.7818 -109394.3340 299.1481 -161447.1157 -109027.9662 299.7955 -190.4513 -162.7420 761399.3277 2.1401 2.1190 PRESSURE: 1534600 171.535 -233.194 191.916 -233.195 83.9586 -93.201 191.916 -93.2023 74.0447 GPRESSURE: 1534600 275.6 -201.342 157.891 -151.278 97.9545 -91.0043 231.671 -172.863 18.6428 PRESSAVG: 1534600 37.8886 -72.7235 -13.1106 -72.7235 -12.6514 21.15 -13.1106 21.1501 1.30826 GPRESSAVG: 1534600 37.7494 -74.6579 -13.929 -70.7285 -11.5562 21.1338 -13.5891 19.8751 0.0885673 TIMING: 1534600 CPU: 4851.03, 0.00315186/step Wall: 4851.03, 0.00315186/step, 3.03402 hours remaining, 235.058594 MB of memory in use. ENERGY: 1534600 4004.4524 20387.3017 14490.4885 238.7143 -203304.2135 2591.5179 0.0000 0.0000 52155.8777 -109435.8610 299.7405 -161591.7387 -109076.2327 299.3500 109.8461 130.7324 761426.2238 8.8485 8.7606 PRESSURE: 1534800 177.439 34.994 42.8329 34.9942 -161.746 -145.519 42.8337 -145.518 167.875 GPRESSURE: 1534800 157.771 65.9611 62.2744 89.956 -99.1914 -172.42 11.0425 -183.363 254.841 PRESSAVG: 1534800 71.4449 -36.7515 3.75375 -36.7515 -29.2025 -24.6816 3.75382 -24.6817 -2.85417 GPRESSAVG: 1534800 71.5127 -36.5733 4.62142 -37.305 -30.5481 -25.0313 2.87997 -24.581 -1.55346 TIMING: 1534800 CPU: 4851.66, 0.00315843/step Wall: 4851.66, 0.00315843/step, 3.04016 hours remaining, 235.046875 MB of memory in use. ENERGY: 1534800 4055.2875 20296.5528 14485.2904 241.7428 -203249.3671 2616.8259 0.0000 0.0000 52134.0273 -109419.6405 299.6150 -161553.6678 -109060.5730 299.1805 61.1892 104.4736 760050.1788 13.1294 13.1370 PRESSURE: 1535000 175.551 110.933 -13.6606 110.932 201.815 168.183 -13.6611 168.183 394.058 GPRESSURE: 1535000 245.133 58.1886 -90.1939 -27.756 219.356 184.534 49.6682 243.799 396.693 PRESSAVG: 1535000 51.4641 -64.0832 4.16206 -64.0832 -47.0128 -39.0348 4.16205 -39.0348 -7.50851 GPRESSAVG: 1535000 51.944 -63.2854 4.03627 -64.9462 -47.8212 -37.75 3.25707 -38.4967 -7.10118 TIMING: 1535000 CPU: 4852.3, 0.00316543/step Wall: 4852.3, 0.00316543/step, 3.04673 hours remaining, 235.058594 MB of memory in use. ENERGY: 1535000 3895.6417 20455.5444 14555.2283 244.3357 -203707.7574 2789.2701 0.0000 0.0000 52181.2952 -109586.4420 299.8866 -161767.7371 -109221.8257 298.8576 257.1410 287.0605 761060.4925 -1.0191 -0.9928 PRESSURE: 1535200 -5.57583 -3.27907 -63.1236 -3.27957 -457.771 -161.796 -63.1237 -161.796 259.562 GPRESSURE: 1535200 69.2047 -26.5152 -104.701 -59.0888 -390.217 -141.428 -158.304 -128.633 199.662 PRESSAVG: 1535200 56.5329 -21.2023 -20.6072 -21.2022 -0.604342 2.56105 -20.6071 2.56107 6.93127 GPRESSAVG: 1535200 55.8651 -24.3588 -20.6096 -19.2936 0.222242 1.8176 -19.3184 1.77002 6.54658 TIMING: 1535200 CPU: 4852.93, 0.00317512/step Wall: 4852.93, 0.00317512/step, 3.05588 hours remaining, 235.058594 MB of memory in use. ENERGY: 1535200 4059.7232 20375.3208 14611.5186 238.7341 -203303.8221 2635.9611 0.0000 0.0000 51821.2296 -109561.3347 297.8173 -161382.5643 -109197.1778 299.0931 -67.9283 -40.4501 760728.5123 20.9533 20.8780 PRESSURE: 1535400 -88.4773 -5.8024 -91.2963 -5.80258 -133.976 -50.0871 -91.2958 -50.0882 -95.3599 GPRESSURE: 1535400 -46.5295 -106.971 -90.4003 112.138 -127.428 -40.755 -145.19 -2.17525 -61.2707 PRESSAVG: 1535400 38.219 22.3548 -31.9325 22.3548 -39.0201 -15.3485 -31.9325 -15.3485 -2.66283 GPRESSAVG: 1535400 36.8834 24.0216 -30.7204 22.6 -38.8508 -16.1202 -34.5231 -14.0067 -1.69998 TIMING: 1535400 CPU: 4853.57, 0.00317655/step Wall: 4853.57, 0.00317655/step, 3.05707 hours remaining, 235.058594 MB of memory in use. ENERGY: 1535400 4021.7738 20398.6104 14511.9099 236.6343 -203329.0708 2601.1899 0.0000 0.0000 51929.7836 -109629.1689 298.4412 -161558.9524 -109269.9977 298.7068 -105.9376 -78.4093 762123.1699 -1.1546 -1.2225 PRESSURE: 1535600 -118.946 -66.9286 11.0203 -66.9285 78.0983 -41.9342 11.0202 -41.9343 203.606 GPRESSURE: 1535600 -61.111 -121.236 23.9783 -64.1253 54.0647 20.562 108.59 -54.6896 264.634 PRESSAVG: 1535600 7.87518 -12.6203 0.671752 -12.6203 -2.63469 6.60002 0.671715 6.60005 -12.1914 GPRESSAVG: 1535600 8.68309 -11.9308 -1.71613 -15.9199 -2.19421 5.96751 3.1453 5.94635 -13.5144 TIMING: 1535600 CPU: 4854.21, 0.00319573/step Wall: 4854.21, 0.00319573/step, 3.07535 hours remaining, 235.058594 MB of memory in use. ENERGY: 1535600 3960.2279 20531.7241 14445.2930 243.3777 -203033.2759 2435.6698 0.0000 0.0000 51784.6437 -109632.3398 297.6071 -161416.9835 -109278.0085 298.4796 54.2529 85.8626 762986.5428 -2.3170 -2.3418 PRESSURE: 1535800 -298.196 35.4608 5.88469 35.4607 -25.4238 -6.13506 5.88487 -6.13564 -101.973 GPRESSURE: 1535800 -287.501 15.0578 95.1102 -4.75087 22.4133 -84.4051 -23.2712 114.937 -68.9628 PRESSAVG: 1535800 22.7023 -22.864 16.739 -22.864 25.3255 21.4625 16.7389 21.4624 5.55943 GPRESSAVG: 1535800 22.3402 -23.3945 17.4241 -19.7704 25.1145 24.0934 15.7944 21.5367 6.46457 TIMING: 1535800 CPU: 4854.84, 0.00318029/step Wall: 4854.84, 0.00318029/step, 3.06032 hours remaining, 235.058594 MB of memory in use. ENERGY: 1535800 3970.8390 20528.8555 14410.8999 241.2612 -203370.1565 2535.3897 0.0000 0.0000 52026.6582 -109656.2530 298.9979 -161682.9112 -109290.4070 298.1449 -141.8643 -111.3502 761474.4494 17.8624 17.9731 PRESSURE: 1536000 34.6294 -158.531 -28.1204 -158.532 95.2511 -313.726 -28.1197 -313.726 176.246 GPRESSURE: 1536000 169.809 -224.625 1.2372 44.8005 49.0162 -265.169 -138.6 -425.159 157.384 PRESSAVG: 1536000 -7.19179 23.4747 50.4152 23.4747 58.0243 4.89178 50.4153 4.8918 -7.6935 GPRESSAVG: 1536000 -6.6845 22.5348 50.1459 24.5874 57.3235 4.76453 50.6218 2.12618 -7.50144 TIMING: 1536000 CPU: 4855.48, 0.00317761/step Wall: 4855.48, 0.00317761/step, 3.05757 hours remaining, 235.058594 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: 1536000 3942.1614 20463.4297 14509.6124 259.3652 -203562.6969 2448.2590 0.0000 0.0000 51951.0227 -109988.8464 298.5632 -161939.8692 -109630.6617 298.3850 102.0422 125.4030 762107.4576 14.3797 14.3792 PRESSURE: 1536200 178.235 250.235 -21.9631 250.234 117.385 137.226 -21.9634 137.227 346.327 GPRESSURE: 1536200 249.794 248.05 -15.6018 147.35 212.568 213.458 -121.516 137.706 288.564 PRESSAVG: 1536200 -15.6476 -4.54784 -29.6348 -4.5478 -13.3309 -31.7754 -29.6348 -31.7753 12.8781 GPRESSAVG: 1536200 -14.9224 -3.78067 -28.2432 -8.58109 -12.7929 -32.4998 -29.3617 -28.7897 11.9822 TIMING: 1536200 CPU: 4856.12, 0.00320631/step Wall: 4856.12, 0.00320631/step, 3.08501 hours remaining, 235.058594 MB of memory in use. ENERGY: 1536200 3871.5120 20321.4868 14450.9233 263.5128 -203230.7166 2465.4527 0.0000 0.0000 51902.4896 -109955.3394 298.2843 -161857.8291 -109579.5128 298.4215 213.9822 250.3085 761542.3098 -5.3668 -5.2444 LDB: ============= START OF LOAD BALANCING ============== 4868.66 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4868.66 LDB: =============== DONE WITH MIGRATION ================ 4868.66 LDB: ============= START OF LOAD BALANCING ============== 4868.98 LDB: Largest compute 7037 load 0.033985 is 17.4% of average load 0.195405 LDB: Average compute 0.004394 is 2.2% of average load 0.195405 LDB: TIME 4868.98 LOAD: AVG 0.195405 MAX 0.21397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.367 MB LDB: TIME 4868.98 LOAD: AVG 0.195405 MAX 0.21397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.371 MB LDB: TIME 4868.98 LOAD: AVG 0.195405 MAX 0.21397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.371 MB LDB: ============== END OF LOAD BALANCING =============== 4868.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4868.99 PRESSURE: 1536400 67.0994 187.815 175.637 187.815 -312.865 28.1724 175.637 28.1732 -133.877 GPRESSURE: 1536400 11.8479 170.209 155.549 214.1 -131.171 -66.2186 92.8241 22.2032 -174.682 PRESSAVG: 1536400 -24.372 -42.0063 13.5856 -42.0063 11.14 47.8463 13.5856 47.8463 13.5628 GPRESSAVG: 1536400 -24.316 -41.8049 12.1285 -39.1271 11.1194 47.6143 13.6412 49.4595 12.9466 TIMING: 1536400 CPU: 4856.77, 0.00326003/step Wall: 4856.77, 0.00326003/step, 3.13651 hours remaining, 234.156250 MB of memory in use. ENERGY: 1536400 3972.0363 20467.5795 14486.8009 252.7706 -203744.8946 2559.2491 0.0000 0.0000 52103.1623 -109903.2960 299.4376 -162006.4583 -109532.3584 298.2634 -126.5478 -98.0014 761760.8186 0.1103 -0.0833 PRESSURE: 1536600 -100.276 57.1952 284.464 57.1945 -29.1083 11.2973 284.463 11.2969 -81.7175 GPRESSURE: 1536600 -30.5497 -3.53207 278.781 5.08827 -16.4084 -7.43335 123.422 2.77011 -96.8463 PRESSAVG: 1536600 66.2048 -44.1083 -29.2816 -44.1083 -45.6601 -22.0036 -29.2816 -22.0035 17.1752 GPRESSAVG: 1536600 66.9748 -43.8893 -28.2637 -44.9927 -46.457 -22.0975 -31.1482 -22.5762 17.413 TIMING: 1536600 CPU: 4857.41, 0.00319782/step Wall: 4857.41, 0.00319782/step, 3.07648 hours remaining, 234.359375 MB of memory in use. ENERGY: 1536600 3945.6468 20522.2844 14499.4122 234.0994 -203819.5007 2811.0893 0.0000 0.0000 51976.0938 -109830.8748 298.7073 -161806.9686 -109469.9009 298.6529 -70.3673 -47.9348 761817.1132 12.5733 12.6436 PRESSURE: 1536800 -188.103 92.8236 68.7631 92.8239 -241.244 -217.257 68.7634 -217.258 -472.85 GPRESSURE: 1536800 -260.438 0.230183 56.4168 34.6676 -172.651 -202.92 95.5768 -290.575 -373.621 PRESSAVG: 1536800 6.17243 -64.2236 30.3987 -64.2236 -35.0623 26.1554 30.3987 26.1554 -6.89131 GPRESSAVG: 1536800 5.31302 -64.5991 29.3135 -64.7678 -34.5028 27.2879 32.2953 23.9632 -6.02386 TIMING: 1536800 CPU: 4858.05, 0.00317684/step Wall: 4858.05, 0.00317684/step, 3.05612 hours remaining, 234.359375 MB of memory in use. ENERGY: 1536800 3993.2091 20419.7502 14518.7895 262.6316 -203635.1230 2637.9601 0.0000 0.0000 52005.7377 -109797.0448 298.8777 -161802.7825 -109426.7732 298.5975 -300.7325 -268.9034 760658.5873 -11.9271 -11.7379 PRESSURE: 1537000 -173.34 -86.942 136.427 -86.9421 -195.64 -347.587 136.428 -347.587 -182.373 GPRESSURE: 1537000 -138.135 -90.6677 228.329 -107.911 -202.447 -310.173 -42.5336 -281.893 -129.479 PRESSAVG: 1537000 68.039 -37.7761 -1.09511 -37.7761 -33.8814 -24.6392 -1.09509 -24.6392 -24.8456 GPRESSAVG: 1537000 66.8487 -39.074 1.72823 -37.357 -33.6929 -26.9555 -4.66486 -23.1603 -24.4144 TIMING: 1537000 CPU: 4858.68, 0.0031771/step Wall: 4858.68, 0.0031771/step, 3.05619 hours remaining, 234.359375 MB of memory in use. ENERGY: 1537000 4032.4320 20674.6784 14478.7975 245.7043 -203604.8638 2657.6568 0.0000 0.0000 51790.1554 -109725.4393 297.6387 -161515.5948 -109374.8642 298.6751 -183.7845 -156.6870 763288.6798 3.1040 2.9138 PRESSURE: 1537200 -82.4112 142.451 2.76282 142.451 -315.903 159.821 2.7633 159.822 -512.194 GPRESSURE: 1537200 -67.6714 71.1773 18.3249 179.521 -309.443 162.922 60.1134 198.918 -467.253 PRESSAVG: 1537200 50.8649 31.5019 -53.5975 31.5019 -54.6938 32.0359 -53.5975 32.0359 -13.4601 GPRESSAVG: 1537200 51.4901 31.1067 -55.0334 31.592 -55.3623 34.1176 -49.8923 30.6025 -14.2413 TIMING: 1537200 CPU: 4859.32, 0.00318215/step Wall: 4859.32, 0.00318215/step, 3.06087 hours remaining, 234.359375 MB of memory in use. ENERGY: 1537200 3974.2838 20458.2747 14580.3439 239.2933 -203725.8125 2691.0056 0.0000 0.0000 52052.8791 -109729.7322 299.1486 -161782.6113 -109365.7195 299.2423 -303.5028 -281.4558 763856.4458 -5.7630 -6.0378 PRESSURE: 1537400 436.714 -1.88559 -129.625 -1.88723 247.445 171.244 -129.625 171.247 58.3405 GPRESSURE: 1537400 423.889 13.1309 -123.266 -43.1818 320.524 167.155 -62.0049 151.593 79.4547 PRESSAVG: 1537400 -3.88379 -20.3043 -25.0825 -20.3043 -38.1134 -12.3912 -25.0824 -12.3912 2.15442 GPRESSAVG: 1537400 -4.40416 -17.9759 -25.1477 -19.8234 -38.7082 -11.5308 -27.1826 -12.4866 2.76335 TIMING: 1537400 CPU: 4859.95, 0.00317525/step Wall: 4859.95, 0.00317525/step, 3.05406 hours remaining, 234.359375 MB of memory in use. ENERGY: 1537400 3958.2076 20502.9269 14590.0863 249.7173 -203864.4979 2916.7106 0.0000 0.0000 51970.0396 -109676.8095 298.6725 -161646.8491 -109320.6042 299.0987 247.5000 274.6226 761869.1023 -13.2809 -13.4497 PRESSURE: 1537600 -11.6034 -229.847 -211.22 -229.848 -305.993 40.6318 -211.22 40.6311 -200.664 GPRESSURE: 1537600 -36.8073 -243.697 -198.434 -150.45 -238 97.2025 -237.306 144.447 -163.89 PRESSAVG: 1537600 -35.3587 -14.1167 -38.7417 -14.1167 30.1085 24.5826 -38.7417 24.5826 12.5507 GPRESSAVG: 1537600 -35.5738 -16.2059 -39.4385 -13.2501 29.7349 24.1589 -37.9139 26.9398 13.1567 TIMING: 1537600 CPU: 4860.59, 0.0031679/step Wall: 4860.59, 0.0031679/step, 3.04682 hours remaining, 234.359375 MB of memory in use. ENERGY: 1537600 3967.8763 20442.5797 14520.2955 246.6315 -203411.7415 2554.7768 0.0000 0.0000 51802.4524 -109877.1293 297.7094 -161679.5817 -109512.4618 298.5232 -172.7536 -146.2325 764724.3001 2.4335 2.4393 PRESSURE: 1537800 -9.41269 247.421 -121.85 247.422 80.1426 42.4263 -121.85 42.4259 -120.789 GPRESSURE: 1537800 75.095 190.283 -58.3699 268.119 85.6267 127.5 -87.6924 -38.1874 -128.752 PRESSAVG: 1537800 -3.75562 -53.3713 -44.9403 -53.3714 38.4541 -24.1514 -44.9404 -24.1515 25.1009 GPRESSAVG: 1537800 -2.53715 -52.5229 -44.3998 -54.4178 37.8449 -24.0288 -46.3846 -25.3692 24.4302 TIMING: 1537800 CPU: 4861.22, 0.003186/step Wall: 4861.22, 0.003186/step, 3.06405 hours remaining, 234.359375 MB of memory in use. ENERGY: 1537800 4052.0567 20517.4654 14534.0079 251.5796 -204000.2834 2762.3448 0.0000 0.0000 51853.9638 -110028.8651 298.0054 -161882.8289 -109677.5625 298.1333 -16.6865 10.6564 762226.8538 19.9331 19.9127 PRESSURE: 1538000 152.79 95.2872 44.6822 95.2871 189.37 120.428 44.6827 120.428 51.543 GPRESSURE: 1538000 247.836 145.908 11.7844 113.238 256.693 27.9742 21.2432 131.272 -31.7288 PRESSAVG: 1538000 -28.2677 -24.8405 -18.3324 -24.8405 33.0015 -5.77058 -18.3324 -5.77066 -18.3404 GPRESSAVG: 1538000 -29.6059 -24.5178 -18.3204 -23.2761 35.4815 -5.43551 -18.1997 -5.22066 -18.9242 TIMING: 1538000 CPU: 4861.86, 0.003187/step Wall: 4861.86, 0.003187/step, 3.06483 hours remaining, 234.359375 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: 1538000 4002.9903 20515.3811 14560.2481 253.4721 -203978.2196 2816.7908 0.0000 0.0000 51804.0135 -110025.3237 297.7184 -161829.3372 -109667.0163 298.3617 131.2343 157.6001 761966.3566 -4.5355 -4.3495 PRESSURE: 1538200 -96.1685 -58.5279 -53.7179 -58.5277 282.547 -88.5636 -53.7173 -88.5638 -335.921 GPRESSURE: 1538200 -79.0705 -157.456 -74.841 -58.1799 345.517 -12.3818 -5.94782 -53.1534 -332.464 PRESSAVG: 1538200 -89.9442 -30.0923 -47.8387 -30.0923 54.5871 86.0208 -47.8387 86.0207 4.71173 GPRESSAVG: 1538200 -89.1353 -29.6406 -50.4162 -31.8458 53.7199 85.4378 -47.3014 86.9428 4.56266 TIMING: 1538200 CPU: 4862.5, 0.00318949/step Wall: 4862.5, 0.00318949/step, 3.06705 hours remaining, 234.359375 MB of memory in use. ENERGY: 1538200 3939.0692 20689.5540 14481.7486 265.3510 -203818.7514 2522.5095 0.0000 0.0000 51829.4582 -110091.0609 297.8646 -161920.5190 -109734.3199 298.2032 -49.8476 -22.0058 760333.3144 -10.2151 -10.2843 PRESSURE: 1538400 39.5253 -20.5556 -184.05 -20.5556 -372.146 169.856 -184.05 169.855 -350.582 GPRESSURE: 1538400 -5.09098 -154.441 -187.336 -41.0179 -243.14 121.068 -163.481 115.092 -345.506 PRESSAVG: 1538400 -29.7637 -42.3096 14.2113 -42.3096 67.1999 28.2132 14.2114 28.2131 -2.3034 GPRESSAVG: 1538400 -30.2441 -43.7535 16.0156 -42.2784 67.4359 28.0865 14.5685 26.4041 -1.57551 TIMING: 1538400 CPU: 4863.14, 0.00318265/step Wall: 4863.14, 0.00318265/step, 3.0603 hours remaining, 234.359375 MB of memory in use. ENERGY: 1538400 4071.0551 20551.2765 14536.6915 242.8828 -203833.2544 2506.3311 0.0000 0.0000 52067.3723 -109857.6451 299.2319 -161925.0173 -109495.8418 298.7443 -227.7341 -197.9123 759930.2282 11.7109 11.8721 PRESSURE: 1538600 -379.718 -71.5997 -102.929 -71.5994 -50.6994 -71.6528 -102.929 -71.6513 -472.629 GPRESSURE: 1538600 -336.885 -40.7906 -6.09169 -95.692 -47.7644 -4.81281 -185.023 -110.066 -407.37 PRESSAVG: 1538600 -45.3786 -76.7457 8.95858 -76.7457 52.4456 29.0278 8.95856 29.0278 -5.86926 GPRESSAVG: 1538600 -44.6396 -74.5416 10.5427 -75.577 52.6593 29.555 9.01431 29.15 -6.3837 TIMING: 1538600 CPU: 4863.77, 0.00316749/step Wall: 4863.77, 0.00316749/step, 3.04554 hours remaining, 234.359375 MB of memory in use. ENERGY: 1538600 4020.6114 20605.7395 14527.8158 244.2727 -203602.9121 2443.0291 0.0000 0.0000 51948.5552 -109812.8885 298.5491 -161761.4437 -109450.2897 298.8153 -301.0155 -264.0065 761099.3545 0.3992 0.5453 PRESSURE: 1538800 374.807 28.2002 156.025 28.2003 -460.085 -151.633 156.025 -151.633 -141.173 GPRESSURE: 1538800 293.495 -148.854 123.83 50.5428 -320.28 -77.3774 243.029 -122.867 -108.736 PRESSAVG: 1538800 -32.7499 -58.0639 -36.2399 -58.0639 9.82061 29.0506 -36.2399 29.0506 4.65128 GPRESSAVG: 1538800 -34.1223 -59.7549 -35.8489 -60.0038 9.77615 28.1514 -36.3763 29.6971 6.20086 TIMING: 1538800 CPU: 4864.4, 0.0031789/step Wall: 4864.4, 0.0031789/step, 3.05634 hours remaining, 234.359375 MB of memory in use. ENERGY: 1538800 3987.1261 20595.7902 14492.4527 254.6580 -203607.8793 2435.8954 0.0000 0.0000 52192.7471 -109649.2099 299.9524 -161841.9570 -109284.2051 298.8664 -75.4837 -45.1735 761588.7984 -6.0927 -6.0484 PRESSURE: 1539000 -343.28 23.5064 220.836 23.5062 -113.368 -28.3782 220.835 -28.3783 -397.609 GPRESSURE: 1539000 -208.975 15.2731 264.835 -67.143 -112.889 -6.8986 91.1792 -55.3852 -446.418 PRESSAVG: 1539000 33.4303 10.5881 -33.1474 10.5881 -22.5231 21.6186 -33.1473 21.6187 14.795 GPRESSAVG: 1539000 35.2389 10.7685 -35.2255 11.5304 -23.0542 21.4081 -33.4344 21.8907 13.903 TIMING: 1539000 CPU: 4865.04, 0.00317671/step Wall: 4865.04, 0.00317671/step, 3.05406 hours remaining, 234.359375 MB of memory in use. ENERGY: 1539000 3927.5479 20691.2879 14544.3063 260.2747 -203650.8558 2668.0865 0.0000 0.0000 51830.8177 -109728.5348 297.8724 -161559.3525 -109370.6280 298.6434 -284.7523 -256.0939 761160.6515 8.5674 8.6959 PRESSURE: 1539200 262.249 -58.7743 -26.9345 -58.7741 206.963 -7.64485 -26.935 -7.64408 -35.5514 GPRESSURE: 1539200 272.943 -66.5487 14.3449 39.4756 231.813 -111.304 -18.349 111.268 32.806 PRESSAVG: 1539200 40.5162 19.3557 -35.4337 19.3557 -30.7721 50.4309 -35.4337 50.4309 19.9315 GPRESSAVG: 1539200 40.6038 19.0871 -36.5158 20.0487 -30.7893 51.3052 -36.7416 50.5163 20.3723 TIMING: 1539200 CPU: 4865.67, 0.0031688/step Wall: 4865.67, 0.0031688/step, 3.04627 hours remaining, 234.359375 MB of memory in use. ENERGY: 1539200 3968.1104 20587.5840 14512.6058 255.0646 -204191.4606 2887.3422 0.0000 0.0000 51980.7943 -109999.9592 298.7343 -161980.7536 -109635.5047 298.2878 144.5536 179.1875 760758.3797 9.8919 10.0623 PRESSURE: 1539400 223.417 110.738 -49.3439 110.738 -31.4815 -43.5387 -49.3448 -43.5396 145.628 GPRESSURE: 1539400 282.907 53.0864 -84.1484 154.155 -1.97935 -110.43 75.3974 99.7717 116.85 PRESSAVG: 1539400 47.1782 -22.0196 -10.412 -22.0196 -44.402 1.00696 -10.412 1.00691 15.5674 GPRESSAVG: 1539400 47.1683 -21.4455 -9.37037 -23.1859 -43.9986 0.280057 -9.99519 1.984 15.3848 TIMING: 1539400 CPU: 4866.31, 0.00316076/step Wall: 4866.31, 0.00316076/step, 3.03837 hours remaining, 234.359375 MB of memory in use. ENERGY: 1539400 4021.0641 20315.4167 14557.1388 248.0576 -203636.5083 2669.6286 0.0000 0.0000 51917.1355 -109908.0670 298.3685 -161825.2024 -109542.2812 298.2232 112.5210 132.5923 762399.9960 6.1145 6.1848 PRESSURE: 1539600 116.362 -121.241 -6.46721 -121.242 7.4964 -211.689 -6.46768 -211.689 -8.70058 GPRESSURE: 1539600 95.2432 -160.996 -76.212 -210.096 88.8248 -153.288 122.826 -152.982 15.7472 PRESSAVG: 1539600 6.07592 -10.5335 -34.5117 -10.5336 43.4308 -2.54603 -34.5117 -2.54594 -19.1703 GPRESSAVG: 1539600 6.35288 -11.3708 -33.842 -11.6976 43.2009 -2.33958 -34.9019 -3.07886 -19.2768 TIMING: 1539600 CPU: 4866.94, 0.00317731/step Wall: 4866.94, 0.00317731/step, 3.0541 hours remaining, 234.359375 MB of memory in use. ENERGY: 1539600 3917.6338 20329.2688 14591.6852 254.9716 -203695.2522 2565.5003 0.0000 0.0000 52076.4246 -109959.7680 299.2839 -162036.1926 -109595.0118 298.1317 38.3860 66.6051 761061.4654 10.1121 10.0924 PRESSURE: 1539800 269.492 157.696 165.096 157.696 -216.828 -69.5092 165.097 -69.5093 -6.06397 GPRESSURE: 1539800 265.653 56.4947 79.2529 90.694 -91.7264 -145.963 78.4185 -14.6688 -31.2441 PRESSAVG: 1539800 17.6013 15.3385 54.7973 15.3385 -6.26829 29.6659 54.7973 29.6659 -18.4068 GPRESSAVG: 1539800 17.5323 15.9103 54.8798 15.1488 -6.41695 29.8804 54.5826 28.35 -17.8588 TIMING: 1539800 CPU: 4867.58, 0.00317765/step Wall: 4867.58, 0.00317765/step, 3.05426 hours remaining, 234.359375 MB of memory in use. ENERGY: 1539800 3905.8650 20480.6971 14542.0893 233.2745 -203766.1910 2651.1697 0.0000 0.0000 52011.8347 -109941.2608 298.9127 -161953.0955 -109571.9988 298.1151 15.5332 47.5608 761482.9747 -2.3579 -2.2478 PRESSURE: 1540000 -126.892 76.3288 -20.9258 76.3287 201.729 -318.119 -20.9264 -318.119 168.164 GPRESSURE: 1540000 54.1379 34.7635 34.1211 44.7483 84.4241 -329.264 -47.2607 -158.64 199.268 PRESSAVG: 1540000 13.5102 -6.96261 -6.75787 -6.96254 -14.4976 16.2365 -6.7578 16.2365 7.38976 GPRESSAVG: 1540000 14.4667 -6.59441 -7.53774 -5.51925 -14.4359 15.8316 -6.55906 16.226 5.55541 TIMING: 1540000 CPU: 4868.21, 0.00318778/step Wall: 4868.21, 0.00318778/step, 3.06381 hours remaining, 234.359375 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: 1540000 3943.8889 20431.4527 14461.3622 235.3145 -203324.5027 2636.7548 0.0000 0.0000 51773.1943 -109842.5352 297.5413 -161615.7295 -109478.0606 298.6541 81.0003 112.6099 760799.2387 2.1341 1.8621 PRESSURE: 1540200 2.72604 -86.4349 231.236 -86.4357 -113.866 177.401 231.236 177.4 -245.771 GPRESSURE: 1540200 -6.84053 -29.5819 196.755 25.2804 -57.1685 245.676 145.481 301.119 -210.408 PRESSAVG: 1540200 11.9831 -31.0946 18.8636 -31.0946 30.486 83.906 18.8636 83.906 -22.2097 GPRESSAVG: 1540200 11.5098 -30.1549 19.7627 -30.9689 30.4501 85.647 19.8061 84.5231 -21.4881 TIMING: 1540200 CPU: 4868.85, 0.0031812/step Wall: 4868.85, 0.0031812/step, 3.05731 hours remaining, 234.359375 MB of memory in use. ENERGY: 1540200 3917.3516 20424.3592 14570.4135 242.8273 -203573.6167 2501.4450 0.0000 0.0000 52034.4488 -109882.7713 299.0427 -161917.2201 -109518.7363 297.9792 -118.9706 -91.4722 760385.0112 6.7531 6.8239 LDB: ============= START OF LOAD BALANCING ============== 4881.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4881.38 LDB: =============== DONE WITH MIGRATION ================ 4881.39 LDB: ============= START OF LOAD BALANCING ============== 4881.7 LDB: Largest compute 7037 load 0.033742 is 17.3% of average load 0.195443 LDB: Average compute 0.004384 is 2.2% of average load 0.195443 LDB: TIME 4881.71 LOAD: AVG 0.195443 MAX 0.214627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.383 MB LDB: TIME 4881.71 LOAD: AVG 0.195443 MAX 0.214627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: TIME 4881.71 LOAD: AVG 0.195443 MAX 0.214627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: ============== END OF LOAD BALANCING =============== 4881.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4881.71 PRESSURE: 1540400 -248.693 157.558 -75.5999 157.558 -411.263 286.661 -75.6008 286.66 -337.084 GPRESSURE: 1540400 -251.253 127.3 -57.7343 176.452 -310.119 342.941 -72.8743 249.631 -366.736 PRESSAVG: 1540400 -41.589 -53.5252 38.878 -53.5253 -7.11659 21.6669 38.878 21.6668 -2.12131 GPRESSAVG: 1540400 -42.6363 -54.2123 37.3459 -52.7465 -5.61661 19.697 38.9081 21.9813 -2.10539 TIMING: 1540400 CPU: 4869.5, 0.00323586/step Wall: 4869.5, 0.00323586/step, 3.10966 hours remaining, 234.871094 MB of memory in use. ENERGY: 1540400 3988.8110 20423.1010 14500.2649 266.1210 -203591.6633 2574.9560 0.0000 0.0000 51913.5788 -109924.8306 298.3481 -161838.4093 -109563.1211 297.8509 -332.3468 -309.3694 762640.2829 -16.9423 -16.7861 PRESSURE: 1540600 -256.042 177.997 106.925 177.997 -102.414 -0.122163 106.925 -0.1217 304.748 GPRESSURE: 1540600 -149.098 133.489 116.203 130.98 -88.6401 46.4098 31.6561 -53.7859 270.92 PRESSAVG: 1540600 7.91027 -50.1314 1.80538 -50.1314 -10.091 -3.63233 1.80534 -3.63239 -10.4646 GPRESSAVG: 1540600 10.1001 -49.7392 2.37506 -50.8377 -11.8744 -3.75668 0.992151 -3.68141 -10.7894 TIMING: 1540600 CPU: 4870.13, 0.00316673/step Wall: 4870.13, 0.00316673/step, 3.04305 hours remaining, 235.074219 MB of memory in use. ENERGY: 1540600 4049.1325 20742.5770 14447.1787 248.4343 -203615.6275 2559.7785 0.0000 0.0000 51767.3914 -109801.1351 297.5079 -161568.5265 -109447.7034 297.8354 -17.9026 11.0608 760886.2249 -4.2151 -4.1879 PRESSURE: 1540800 -448.322 40.762 -168.576 40.7623 -69.2127 111.747 -168.577 111.747 -88.4409 GPRESSURE: 1540800 -309.402 36.9494 -92.1109 -54.3649 -88.8655 78.9659 -72.6977 238.876 -119.903 PRESSAVG: 1540800 -1.24648 -29.5592 1.91277 -29.5592 -2.14569 13.0498 1.91276 13.0497 2.37467 GPRESSAVG: 1540800 -2.08605 -30.3005 0.788542 -29.2882 -2.18802 13.7716 4.37642 11.0758 3.15073 TIMING: 1540800 CPU: 4870.76, 0.00315348/step Wall: 4870.76, 0.00315348/step, 3.03015 hours remaining, 235.074219 MB of memory in use. ENERGY: 1540800 3938.2266 20660.5724 14502.1815 281.8456 -203789.9295 2605.0231 0.0000 0.0000 52296.2739 -109505.8064 300.5474 -161802.0803 -109146.6285 299.6520 -201.9919 -172.7236 761198.0238 -0.3392 -0.3744 PRESSURE: 1541000 145.897 -236.345 339.645 -236.345 -241.538 -192.185 339.645 -192.185 -152.487 GPRESSURE: 1541000 245.415 -195.923 282.719 -250.272 -272.797 -222.921 305.433 -234.298 -127.247 PRESSAVG: 1541000 45.5728 -12.106 -1.53768 -12.106 -52.4661 2.64336 -1.53775 2.64335 -21.6273 GPRESSAVG: 1541000 45.3502 -10.5179 -1.3803 -9.91258 -52.0217 1.93699 -1.21672 3.64444 -21.8714 TIMING: 1541000 CPU: 4871.39, 0.00316118/step Wall: 4871.39, 0.00316118/step, 3.03736 hours remaining, 235.074219 MB of memory in use. ENERGY: 1541000 3941.4886 20525.8967 14504.5988 271.4047 -203692.5162 2828.0809 0.0000 0.0000 51865.1676 -109755.8789 298.0698 -161621.0464 -109394.2998 299.3331 -82.7092 -51.5430 763041.8715 -9.5069 -9.5143 PRESSURE: 1541200 -19.7092 -70.3778 3.2372 -70.3781 -47.6298 48.8811 3.23736 48.8809 -42.9961 GPRESSURE: 1541200 3.38928 -129.324 -20.659 -75.3106 -5.65824 82.1037 -57.6086 22.918 -30.9297 PRESSAVG: 1541200 25.4407 -28.5625 -11.5067 -28.5624 -7.975 -21.534 -11.5067 -21.534 -2.90277 GPRESSAVG: 1541200 25.9469 -29.9667 -11.3663 -31.6439 -8.37265 -20.9723 -13.9225 -23.2835 -3.08184 TIMING: 1541200 CPU: 4872.03, 0.00316058/step Wall: 4872.03, 0.00316058/step, 3.03662 hours remaining, 235.074219 MB of memory in use. ENERGY: 1541200 3974.2673 20440.5083 14464.9054 276.8293 -203794.5638 2764.2951 0.0000 0.0000 52216.7522 -109657.0062 300.0904 -161873.7584 -109300.1907 298.9142 -36.7784 -11.0662 761512.3620 4.8543 4.8308 PRESSURE: 1541400 -302.5 -68.1734 53.2483 -68.1737 -84.2473 -293.181 53.2476 -293.179 330.532 GPRESSURE: 1541400 -183.998 -26.9707 213.359 22.3467 -29.816 -275.848 73.82 -194.249 233.451 PRESSAVG: 1541400 -34.877 27.7405 -29.4658 27.7405 61.2093 35.2602 -29.4657 35.2602 8.43303 GPRESSAVG: 1541400 -37.216 26.4282 -27.1814 30.2626 62.259 34.5501 -29.0005 38.5165 9.75652 TIMING: 1541400 CPU: 4872.66, 0.00316493/step Wall: 4872.66, 0.00316493/step, 3.04062 hours remaining, 235.074219 MB of memory in use. ENERGY: 1541400 4013.1815 20576.1832 14499.9571 246.9494 -203493.7486 2405.6979 0.0000 0.0000 52194.9348 -109556.8447 299.9650 -161751.7795 -109188.6897 299.2188 -18.7384 6.5458 760446.1316 11.5884 11.5998 PRESSURE: 1541600 -124.246 129.44 -60.9571 129.44 58.289 -186.27 -60.9583 -186.27 273.51 GPRESSURE: 1541600 -22.3059 -47.7521 -117.456 153.961 36.6513 -113.809 -119.478 -216.902 276.335 PRESSAVG: 1541600 -63.5135 -31.2386 45.5879 -31.2386 34.7088 23.5084 45.5879 23.5084 42.3402 GPRESSAVG: 1541600 -61.8301 -28.3011 45.3962 -34.3421 34.486 24.158 44.7271 20.2137 41.1197 TIMING: 1541600 CPU: 4873.29, 0.00315332/step Wall: 4873.29, 0.00315332/step, 3.02929 hours remaining, 235.074219 MB of memory in use. ENERGY: 1541600 3957.7884 20699.3297 14523.7094 246.5128 -203889.9714 2794.4285 0.0000 0.0000 52075.5227 -109592.6799 299.2787 -161668.2026 -109227.4878 299.3712 69.1844 96.8936 761312.5521 4.5118 4.5919 PRESSURE: 1541800 88.0877 -164.282 234.567 -164.283 15.5389 26.4809 234.566 26.4807 -277.714 GPRESSURE: 1541800 146.51 -226.232 214.405 -197.841 -64.4765 95.5972 265.623 -23.257 -186.602 PRESSAVG: 1541800 -1.71163 -43.1566 -12.9277 -43.1566 61.52 40.0538 -12.9278 40.0538 -21.2058 GPRESSAVG: 1541800 -2.75194 -43.3454 -14.8103 -44.0735 62.2852 40.0478 -11.9716 40.9734 -20.295 TIMING: 1541800 CPU: 4873.92, 0.00316956/step Wall: 4873.92, 0.00316956/step, 3.04472 hours remaining, 235.074219 MB of memory in use. ENERGY: 1541800 3997.1680 20599.8603 14503.0676 248.5083 -203382.1353 2510.2201 0.0000 0.0000 52063.3504 -109459.9606 299.2088 -161523.3111 -109101.0526 299.1219 -58.0292 -34.8559 761532.4447 12.8675 13.0794 PRESSURE: 1542000 -283.189 -34.8208 -31.2881 -34.8202 -156.85 -159.486 -31.288 -159.487 70.8118 GPRESSURE: 1542000 -316.335 -91.408 61.0935 2.13529 -14.9334 -92.7569 23.3467 -74.2931 44.6688 PRESSAVG: 1542000 -65.5432 -77.8548 -7.47688 -77.8548 59.6185 0.151567 -7.47683 0.151631 -2.46927 GPRESSAVG: 1542000 -64.6342 -77.5179 -5.77014 -77.0918 58.5529 -0.219205 -8.32464 -0.0527222 -1.88818 TIMING: 1542000 CPU: 4874.55, 0.00314805/step Wall: 4874.55, 0.00314805/step, 3.02387 hours remaining, 235.074219 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: 1542000 3958.7160 20671.7615 14482.4865 250.5154 -203327.4703 2367.1461 0.0000 0.0000 52146.6252 -109450.2196 299.6874 -161596.8447 -109075.6853 299.7993 -123.0757 -95.5333 763328.1972 -2.7980 -2.6565 PRESSURE: 1542200 184.898 -221.365 93.8882 -221.365 -49.2745 238.37 93.8887 238.369 363.814 GPRESSURE: 1542200 221.255 -105.939 122.807 -194.589 -54.426 186.851 96.2538 291.298 391.023 PRESSAVG: 1542200 -57.9223 -59.4367 57.7667 -59.4367 34.4684 -45.3486 57.7667 -45.3485 13.8932 GPRESSAVG: 1542200 -59.2249 -58.546 57.3686 -60.5821 36.1464 -44.1968 60.1077 -44.9735 13.4327 TIMING: 1542200 CPU: 4875.19, 0.00315887/step Wall: 4875.19, 0.00315887/step, 3.0341 hours remaining, 235.074219 MB of memory in use. ENERGY: 1542200 3982.0722 20529.7941 14585.1128 244.3682 -203482.7401 2631.1695 0.0000 0.0000 52111.4038 -109398.8195 299.4850 -161510.2233 -109037.2398 299.6804 166.4792 185.9506 762014.1322 -3.1869 -3.2153 PRESSURE: 1542400 92.7799 -18.7924 -112.356 -18.7924 83.5962 -136.892 -112.356 -136.892 -22.2305 GPRESSURE: 1542400 177.338 7.19905 -117.29 -25.2987 110.664 -48.888 -202.802 -103.98 -38.6486 PRESSAVG: 1542400 -5.88389 -28.5075 -29.1972 -28.5075 22.0796 51.439 -29.1972 51.439 5.8708 GPRESSAVG: 1542400 -4.88903 -30.778 -30.8751 -26.7525 20.6493 50.9018 -28.8541 50.2831 6.31842 TIMING: 1542400 CPU: 4875.82, 0.00317116/step Wall: 4875.82, 0.00317116/step, 3.04572 hours remaining, 235.074219 MB of memory in use. ENERGY: 1542400 3995.8644 20566.6699 14622.5947 261.3679 -203412.7911 2632.0663 0.0000 0.0000 51937.0912 -109397.1367 298.4832 -161334.2279 -109036.0918 299.1582 51.3818 83.1176 762131.5567 7.3555 7.3596 PRESSURE: 1542600 -461.48 -4.95454 -151.082 -4.95495 461.987 -127.482 -151.083 -127.483 -85.6387 GPRESSURE: 1542600 -343.353 -58.7309 -115.803 68.0371 429.773 -146.527 -168.539 -46.7259 -82.9907 PRESSAVG: 1542600 -90.9541 -9.67001 16.6054 -9.67 100.383 53.795 16.6054 53.795 18.1748 GPRESSAVG: 1542600 -90.8425 -9.54593 19.0825 -9.66993 100.155 51.6527 13.7441 56.4591 18.7264 TIMING: 1542600 CPU: 4876.45, 0.00314348/step Wall: 4876.45, 0.00314348/step, 3.01897 hours remaining, 235.074219 MB of memory in use. ENERGY: 1542600 3977.2319 20515.6163 14613.7857 239.9713 -203136.9150 2488.7039 0.0000 0.0000 51900.2712 -109401.3346 298.2716 -161301.6059 -109046.0083 299.3805 -28.3771 1.1428 763032.2775 9.2014 9.3462 PRESSURE: 1542800 165.103 -88.7445 43.641 -88.7444 -96.9021 -0.968294 43.6405 -0.968208 244.139 GPRESSURE: 1542800 145.011 -33.1909 -61.2715 -38.1587 6.2309 -63.2484 26.4412 15.0142 235.224 PRESSAVG: 1542800 -39.6438 -19.056 2.37966 -19.056 65.8656 25.2035 2.37969 25.2035 -9.79232 GPRESSAVG: 1542800 -39.8912 -19.2345 -0.291214 -18.7595 66.7009 25.6078 3.22902 23.2139 -10.2416 TIMING: 1542800 CPU: 4877.08, 0.00314881/step Wall: 4877.08, 0.00314881/step, 3.02391 hours remaining, 235.074219 MB of memory in use. ENERGY: 1542800 3902.0397 20295.5711 14528.3372 256.2978 -203734.1700 2715.8134 0.0000 0.0000 52376.5014 -109659.6094 301.0085 -162036.1108 -109288.1438 298.8006 104.1133 128.8223 761298.6517 5.4765 5.5227 PRESSURE: 1543000 -138.589 -154.916 -7.63259 -154.917 -92.5876 43.3599 -7.63217 43.3596 191.89 GPRESSURE: 1543000 -88.5704 -217.262 40.6205 -170.696 -90.0328 18.7776 -5.91676 -42.5713 241.696 PRESSAVG: 1543000 16.5615 -48.0264 -9.23633 -48.0265 -10.8928 22.3279 -9.23631 22.3278 -17.9305 GPRESSAVG: 1543000 15.6943 -46.0654 -7.63934 -49.3831 -10.6222 24.3613 -10.087 23.1653 -17.6855 TIMING: 1543000 CPU: 4877.71, 0.00318545/step Wall: 4877.71, 0.00318545/step, 3.05892 hours remaining, 235.074219 MB of memory in use. ENERGY: 1543000 4074.5355 20393.8623 14563.9664 247.1301 -203352.4402 2598.9880 0.0000 0.0000 51930.6634 -109543.2947 298.4462 -161473.9580 -109185.7049 299.5781 -13.0955 21.0308 761259.4842 -4.0873 -4.2045 PRESSURE: 1543200 254.051 8.71781 81.0063 8.71712 -315.216 -193.073 81.0062 -193.073 -469.945 GPRESSURE: 1543200 255.972 174.282 74.7201 -122.885 -234.946 -213.738 103.499 -92.1652 -448.537 PRESSAVG: 1543200 -11.7509 -17.023 -43.5457 -17.023 20.9759 21.4316 -43.5457 21.4316 -20.9112 GPRESSAVG: 1543200 -12.3475 -17.8684 -44.076 -15.0413 21.3635 19.9921 -42.1871 21.7173 -20.519 TIMING: 1543200 CPU: 4878.35, 0.00316223/step Wall: 4878.35, 0.00316223/step, 3.03644 hours remaining, 235.074219 MB of memory in use. ENERGY: 1543200 3985.5791 20424.0740 14532.5829 244.7695 -203353.6981 2671.2422 0.0000 0.0000 52088.9472 -109406.5031 299.3559 -161495.4503 -109040.9071 299.3934 -177.0367 -142.5038 761750.0666 -3.8954 -3.8343 PRESSURE: 1543400 -174.324 -19.0984 49.9434 -19.0981 386.743 61.9452 49.944 61.9447 -174.159 GPRESSURE: 1543400 -128.389 -30.1835 -29.2576 -20.9641 287.229 12.9818 7.78749 43.5859 -59.6501 PRESSAVG: 1543400 37.6539 -21.6586 -20.562 -21.6587 -24.3023 14.682 -20.562 14.682 -2.8748 GPRESSAVG: 1543400 38.0282 -23.2445 -19.9411 -22.5684 -25.0303 14.2453 -20.9133 14.3964 -2.22205 TIMING: 1543400 CPU: 4878.98, 0.00318045/step Wall: 4878.98, 0.00318045/step, 3.05376 hours remaining, 235.074219 MB of memory in use. ENERGY: 1543400 3967.3810 20622.2189 14569.4557 243.0982 -203700.5426 2757.8296 0.0000 0.0000 52166.1739 -109374.3852 299.7997 -161540.5591 -109011.2988 299.3816 12.7536 33.0632 760713.0143 3.4923 3.5919 PRESSURE: 1543600 -22.9048 -114.349 36.1737 -114.348 234.03 -19.3437 36.1738 -19.3444 477.367 GPRESSURE: 1543600 19.3261 -16.6854 16.0661 -134.541 225.143 79.9613 9.23507 -104.994 516.344 PRESSAVG: 1543600 -21.665 -13.25 -21.7557 -13.2499 -5.88135 -32.9323 -21.7558 -32.9323 4.99627 GPRESSAVG: 1543600 -21.2414 -12.0694 -23.4613 -13.4609 -5.25905 -31.874 -20.1062 -34.2908 3.38099 TIMING: 1543600 CPU: 4879.61, 0.00314685/step Wall: 4879.61, 0.00314685/step, 3.02133 hours remaining, 235.074219 MB of memory in use. ENERGY: 1543600 4013.0341 20666.4174 14567.5865 235.3286 -203312.6947 2653.4099 0.0000 0.0000 52253.6254 -108923.2928 300.3023 -161176.9182 -108570.5951 300.0893 229.4973 253.6043 760976.3647 -7.5167 -7.7065 PRESSURE: 1543800 -202.482 -234.668 -2.12715 -234.668 -61.6581 8.27751 -2.12682 8.27789 201.396 GPRESSURE: 1543800 -113.152 -354.29 65.4502 -172.871 -44.1025 24.896 4.43888 27.7759 184.167 PRESSAVG: 1543800 -34.1461 -8.11735 -51.1382 -8.11736 41.8072 1.12685 -51.1382 1.1269 16.9036 GPRESSAVG: 1543800 -32.9228 -7.34518 -50.3239 -8.73614 40.324 1.38427 -51.5292 -0.246013 17.5234 TIMING: 1543800 CPU: 4880.25, 0.00317091/step Wall: 4880.25, 0.00317091/step, 3.04425 hours remaining, 235.074219 MB of memory in use. ENERGY: 1543800 4022.3171 20497.4633 14570.6052 246.5282 -203485.6183 2691.3957 0.0000 0.0000 52518.7527 -108938.5561 301.8260 -161457.3089 -108575.0783 299.9624 -20.9146 8.9709 761582.9628 8.1882 8.3082 PRESSURE: 1544000 -337.88 89.9928 -166.462 89.992 -439.58 97.4218 -166.462 97.4223 -139.08 GPRESSURE: 1544000 -398.335 84.273 -143.161 194.522 -357.326 130.224 -92.7304 26.5014 -70.0224 PRESSAVG: 1544000 -42.321 -7.71575 -13.9794 -7.71572 25.1012 -34.1398 -13.9795 -34.1398 7.2514 GPRESSAVG: 1544000 -43.7526 -8.68984 -15.0298 -6.9477 26.3912 -34.0822 -16.1274 -32.8901 7.67386 TIMING: 1544000 CPU: 4880.88, 0.00317571/step Wall: 4880.88, 0.00317571/step, 3.04869 hours remaining, 235.074219 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: 1544000 3969.2208 20658.2409 14581.8113 251.6060 -202850.6122 2375.4393 0.0000 0.0000 52033.0876 -108981.2063 299.0349 -161014.2939 -108617.6015 300.7081 -305.5135 -275.2278 762965.1567 -3.3228 -3.2292 PRESSURE: 1544200 -469.163 -74.951 -62.141 -74.9499 -245.05 26.2564 -62.1419 26.2551 -111.966 GPRESSURE: 1544200 -403.161 -132.74 -83.6724 -126.766 -259.34 25.4962 -8.7702 -39.3093 -70.5721 PRESSAVG: 1544200 4.90038 -7.17518 8.27534 -7.17519 2.59741 17.7131 8.2753 17.713 17.0297 GPRESSAVG: 1544200 5.2745 -8.59851 10.187 -8.24742 1.80045 16.8486 9.21564 19.3274 17.7089 TIMING: 1544200 CPU: 4881.52, 0.00317531/step Wall: 4881.52, 0.00317531/step, 3.04812 hours remaining, 235.074219 MB of memory in use. ENERGY: 1544200 4023.9428 20551.6228 14511.4753 278.3466 -202903.2079 2418.9285 0.0000 0.0000 52124.3204 -108994.5714 299.5592 -161118.8918 -108626.1235 300.6588 -275.3929 -244.3576 762468.6186 8.1758 8.2613 LDB: ============= START OF LOAD BALANCING ============== 4894.05 LDB: ============== END OF LOAD BALANCING =============== 4894.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4894.06 LDB: ============= START OF LOAD BALANCING ============== 4894.38 LDB: Largest compute 7037 load 0.032848 is 16.8% of average load 0.195392 LDB: Average compute 0.004379 is 2.2% of average load 0.195392 LDB: TIME 4894.38 LOAD: AVG 0.195392 MAX 0.217506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.152 MB LDB: TIME 4894.38 LOAD: AVG 0.195392 MAX 0.217506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: TIME 4894.38 LOAD: AVG 0.195392 MAX 0.217506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: ============== END OF LOAD BALANCING =============== 4894.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4894.39 PRESSURE: 1544400 -154.387 -188.793 66.7861 -188.793 -517.645 -0.599601 66.7867 -0.600076 -209.306 GPRESSURE: 1544400 -184.647 -153.613 -33.6573 -117.034 -420.064 15.0107 67.833 69.143 -208.905 PRESSAVG: 1544400 4.17979 -11.1175 -37.3373 -11.1175 4.22121 16.2504 -37.3374 16.2504 0.633704 GPRESSAVG: 1544400 4.2439 -10.7914 -38.4237 -8.77091 4.42329 14.972 -36.796 14.6987 -0.0764056 TIMING: 1544400 CPU: 4882.17, 0.00326915/step Wall: 4882.17, 0.00326915/step, 3.13802 hours remaining, 235.179688 MB of memory in use. ENERGY: 1544400 4011.9593 20643.5858 14584.9335 237.9966 -203066.7304 2348.7298 0.0000 0.0000 52352.3215 -108887.2039 300.8695 -161239.5254 -108517.5386 300.8671 -293.7792 -271.2054 762771.9884 3.0116 2.8636 PRESSURE: 1544600 -176.361 16.3618 10.1514 16.3609 -17.3406 -64.921 10.1516 -64.9212 60.5443 GPRESSURE: 1544600 -128.779 -17.5307 -39.7622 19.3713 73.1245 -32.1465 -56.0856 -26.6491 19.0368 PRESSAVG: 1544600 -4.74979 -41.0918 -47.4438 -41.0918 -4.21111 12.7295 -47.4438 12.7295 -20.7338 GPRESSAVG: 1544600 -4.44679 -41.2635 -46.6598 -40.877 -3.90013 13.1405 -46.2369 15.3224 -20.4949 TIMING: 1544600 CPU: 4882.8, 0.00316346/step Wall: 4882.8, 0.00316346/step, 3.0364 hours remaining, 235.710938 MB of memory in use. ENERGY: 1544600 4045.0502 20748.7606 14532.6266 261.3911 -203374.5964 2673.1272 0.0000 0.0000 52159.8730 -108953.7678 299.7635 -161113.6408 -108590.8194 300.2864 -44.3858 -12.2059 761568.3471 -9.8982 -9.6139 PRESSURE: 1544800 101.119 7.6635 -70.3915 7.66493 -479.261 181.127 -70.392 181.128 -169.597 GPRESSURE: 1544800 150.609 1.12367 -287.782 0.304961 -395.712 223.887 -38.8048 146.582 -210.621 PRESSAVG: 1544800 55.6031 -26.6085 -45.8154 -26.6086 -81.0353 -17.5642 -45.8154 -17.5641 7.7914 GPRESSAVG: 1544800 55.5886 -27.5222 -45.899 -26.786 -79.3245 -17.0657 -47.5207 -20.1305 6.00927 TIMING: 1544800 CPU: 4883.44, 0.00316357/step Wall: 4883.44, 0.00316357/step, 3.03632 hours remaining, 235.710938 MB of memory in use. ENERGY: 1544800 3920.0760 20526.4817 14556.4567 244.2278 -202782.2477 2369.6755 0.0000 0.0000 52274.6241 -108890.7060 300.4230 -161165.3300 -108519.8232 300.4446 -182.5798 -151.9083 763736.4174 -5.8803 -5.9089 PRESSURE: 1545000 53.8285 2.93753 229.964 2.93721 -130.59 94.7132 229.964 94.7128 -342.83 GPRESSURE: 1545000 20.721 -43.2147 292.573 45.3275 -135.008 73.0579 195.657 239.293 -215.175 PRESSAVG: 1545000 26.9999 -37.436 -14.345 -37.436 -40.2131 25.4477 -14.345 25.4477 -6.83691 GPRESSAVG: 1545000 26.3309 -35.1795 -13.6506 -40.2736 -41.3746 25.2582 -15.5777 28.4541 -5.07844 TIMING: 1545000 CPU: 4884.07, 0.00315508/step Wall: 4884.07, 0.00315508/step, 3.028 hours remaining, 235.710938 MB of memory in use. ENERGY: 1545000 4009.5998 20543.1279 14541.9891 246.8923 -203032.4378 2502.8838 0.0000 0.0000 52122.6904 -109065.2544 299.5498 -161187.9448 -108702.1071 299.8848 -139.8638 -109.8206 762113.2463 -6.6834 -6.7074 PRESSURE: 1545200 -231.062 -70.8253 -291.254 -70.8256 -299.547 -22.7605 -291.254 -22.7606 -137.575 GPRESSURE: 1545200 -230.861 -78.6674 -245.368 12.3467 -225.821 77.2198 -162.645 -78.2941 -124.653 PRESSAVG: 1545200 -6.37318 -8.30735 -7.50659 -8.30731 -15.4586 31.8092 -7.50658 31.8092 4.01239 GPRESSAVG: 1545200 -5.54636 -9.69276 -6.67761 -4.75615 -15.6429 31.6559 -6.80137 30.3348 3.62659 TIMING: 1545200 CPU: 4884.7, 0.00314927/step Wall: 4884.7, 0.00314927/step, 3.02225 hours remaining, 235.710938 MB of memory in use. ENERGY: 1545200 3996.0920 20496.4191 14595.3154 269.6779 -203424.1322 2767.8891 0.0000 0.0000 52587.8660 -108710.8726 302.2232 -161298.7386 -108357.8922 300.4752 -222.7281 -193.7780 763743.5313 -5.9398 -5.8542 PRESSURE: 1545400 -26.979 -299.35 132.598 -299.351 488.378 -28.1473 132.597 -28.1476 -8.38708 GPRESSURE: 1545400 33.8943 -186.238 47.9507 -263.857 479.578 -32.96 15.2366 52.0761 40.6071 PRESSAVG: 1545400 -6.14023 -35.3427 22.4093 -35.3427 -14.0854 56.0882 22.4093 56.0882 12.023 GPRESSAVG: 1545400 -7.30345 -34.0802 20.7757 -39.0122 -13.6478 56.5671 24.5332 56.1452 13.5109 TIMING: 1545400 CPU: 4885.33, 0.00315254/step Wall: 4885.33, 0.00315254/step, 3.02521 hours remaining, 235.710938 MB of memory in use. ENERGY: 1545400 4008.9114 20609.4056 14584.0982 249.3035 -203318.7187 2749.8868 0.0000 0.0000 52192.8181 -108924.2951 299.9528 -161117.1132 -108564.9628 300.2710 151.0040 184.6931 762793.8497 -2.7342 -2.4801 PRESSURE: 1545600 298.144 26.5564 180.612 26.5559 134.889 -25.138 180.612 -25.1387 217.165 GPRESSURE: 1545600 368.26 -76.7747 177.34 -22.8359 162.936 -60.4957 102.144 -100.238 203.831 PRESSAVG: 1545600 -54.7425 -32.6568 23.1862 -32.6567 49.2655 34.5339 23.1863 34.5339 -2.08247 GPRESSAVG: 1545600 -53.4682 -33.1515 23.397 -30.3498 47.7099 35.007 20.9169 32.4979 -1.75673 TIMING: 1545600 CPU: 4885.96, 0.00314867/step Wall: 4885.96, 0.00314867/step, 3.02132 hours remaining, 235.710938 MB of memory in use. ENERGY: 1545600 4085.7146 20521.2828 14457.3665 232.4914 -203432.3646 2779.8987 0.0000 0.0000 52444.2178 -108911.3929 301.3976 -161355.6107 -108551.2825 300.4930 216.7326 245.0089 761099.5197 -2.5198 -2.5050 PRESSURE: 1545800 6.2529 -13.9739 -154.052 -13.9734 -75.4109 150.644 -154.051 150.643 296.823 GPRESSURE: 1545800 16.7692 -29.8379 -101.756 -22.3902 6.96155 198.104 -68.3031 218.033 273.02 PRESSAVG: 1545800 -6.09074 -9.6263 4.33183 -9.62629 0.619757 -0.17769 4.33181 -0.177621 4.89425 GPRESSAVG: 1545800 -6.99999 -12.6877 3.11139 -8.52541 2.59339 1.21425 7.44857 1.16952 4.1549 TIMING: 1545800 CPU: 4886.59, 0.0031512/step Wall: 4886.59, 0.0031512/step, 3.02358 hours remaining, 235.710938 MB of memory in use. ENERGY: 1545800 4030.5580 20664.3577 14567.0690 233.6992 -203583.0051 2872.4160 0.0000 0.0000 52077.9031 -109137.0020 299.2924 -161214.9051 -108769.7676 299.8484 75.8882 98.9170 761240.2474 -0.1922 -0.0839 PRESSURE: 1546000 -125.978 -98.8692 -199.918 -98.8685 99.2181 96.2437 -199.918 96.2446 221.934 GPRESSURE: 1546000 -20.6658 -54.7282 -167.443 84.3851 38.5604 54.8867 -115.349 18.6422 284.026 PRESSAVG: 1546000 -22.1556 -48.4931 -29.7595 -48.4931 28.7246 43.474 -29.7596 43.474 5.84703 GPRESSAVG: 1546000 -20.4379 -46.2548 -27.9302 -49.5557 27.7221 42.6007 -31.0099 42.493 5.26537 TIMING: 1546000 CPU: 4887.22, 0.00317626/step Wall: 4887.22, 0.00317626/step, 3.04745 hours remaining, 235.710938 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: 1546000 4034.9983 20481.9896 14595.5716 258.9288 -203197.5785 2745.2797 0.0000 0.0000 52008.2116 -109072.5989 298.8919 -161080.8105 -108713.6682 299.7152 65.0580 100.6401 762981.9013 4.1387 4.1832 PRESSURE: 1546200 -202.627 35.4149 239.543 35.4149 -69.8314 -133.572 239.544 -133.57 -66.4491 GPRESSURE: 1546200 -85.2372 -29.5882 205.815 36.4276 -91.0562 -159.342 162.339 -142.501 -83.5204 PRESSAVG: 1546200 3.67733 -74.5941 12.0912 -74.5941 -5.89777 28.3019 12.0913 28.3018 -14.5735 GPRESSAVG: 1546200 1.88881 -75.3266 12.3204 -74.3791 -4.58408 25.6357 9.78869 29.9498 -14.5681 TIMING: 1546200 CPU: 4887.86, 0.00317151/step Wall: 4887.86, 0.00317151/step, 3.04271 hours remaining, 235.914062 MB of memory in use. ENERGY: 1546200 3955.0289 20481.6019 14520.8471 247.0256 -203259.8144 2674.0119 0.0000 0.0000 52209.1898 -109172.1092 300.0469 -161381.2990 -108809.4157 299.9157 -112.9691 -86.6046 761114.1916 -5.5980 -5.7544 PRESSURE: 1546400 -175.701 -187.112 8.46987 -187.112 -124.113 326.075 8.46876 326.074 68.3986 GPRESSURE: 1546400 -99.2062 -204.067 -29.1931 -304.417 -40.2653 414.726 -73.4261 291.609 -9.17512 PRESSAVG: 1546400 -1.89811 -53.4505 8.36177 -53.4505 -10.8054 19.3076 8.36176 19.3076 11.7116 GPRESSAVG: 1546400 -0.385362 -53.1841 6.05829 -55.945 -11.9708 22.1995 9.66231 18.2284 11.3273 TIMING: 1546400 CPU: 4888.49, 0.00315968/step Wall: 4888.49, 0.00315968/step, 3.03119 hours remaining, 235.914062 MB of memory in use. ENERGY: 1546400 3961.5328 20526.0502 14560.2285 226.6978 -202921.1384 2340.6613 0.0000 0.0000 52251.8648 -109054.1031 300.2922 -161305.9679 -108692.3033 300.0237 -77.1385 -49.5489 762120.5080 -0.3306 -0.3429 PRESSURE: 1546600 201.449 -66.2902 -22.6045 -66.2895 -29.2947 -36.8697 -22.6049 -36.8695 444.35 GPRESSURE: 1546600 258.559 -48.9632 19.516 -42.5549 61.6839 -77.3515 13.0753 26.714 399.959 PRESSAVG: 1546600 -5.47747 -19.0461 -38.2658 -19.0462 12.6876 88.8816 -38.2658 88.8816 4.81243 GPRESSAVG: 1546600 -5.48721 -18.9438 -37.2046 -16.7087 12.5427 88.1197 -38.1256 89.568 5.11914 TIMING: 1546600 CPU: 4889.12, 0.00316929/step Wall: 4889.12, 0.00316929/step, 3.04023 hours remaining, 235.914062 MB of memory in use. ENERGY: 1546600 4047.6960 20624.8855 14490.1612 225.0989 -203510.8625 2819.9037 0.0000 0.0000 52231.3392 -109071.7778 300.1742 -161303.1170 -108702.8407 299.9729 205.5013 240.0674 761463.6365 4.0075 4.0582 PRESSURE: 1546800 -205.49 6.38441 -117.518 6.38448 -60.2651 90.9382 -117.517 90.9369 -123.776 GPRESSURE: 1546800 -191.456 28.061 -114.734 17.6505 24.6068 155.865 -86.6984 163.476 -110.925 PRESSAVG: 1546800 49.845 -33.9079 -16.5439 -33.9079 -30.2637 63.607 -16.5439 63.6069 0.19039 GPRESSAVG: 1546800 47.7765 -34.0802 -15.6192 -34.0246 -28.6493 61.9966 -16.505 62.0614 0.00681966 TIMING: 1546800 CPU: 4889.75, 0.003153/step Wall: 4889.75, 0.003153/step, 3.02442 hours remaining, 235.914062 MB of memory in use. ENERGY: 1546800 3997.7397 20606.2213 14547.1682 235.7570 -203230.6825 2487.7530 0.0000 0.0000 51975.6400 -109380.4033 298.7047 -161356.0434 -109014.6501 299.4932 -129.8435 -92.5917 761884.5939 6.5905 6.3780 PRESSURE: 1547000 220.789 -4.08355 -144.051 -4.08307 253.918 58.1607 -144.051 58.1621 -298.503 GPRESSURE: 1547000 277.59 15.5714 -176.628 -42.5031 154.609 61.3774 -149.613 183.574 -175.062 PRESSAVG: 1547000 -23.8932 -57.9832 -18.9708 -57.9832 4.86961 33.6867 -18.9708 33.6865 -17.258 GPRESSAVG: 1547000 -22.9144 -59.2984 -19.4181 -57.62 2.8451 34.0234 -18.4962 35.6644 -16.4811 TIMING: 1547000 CPU: 4890.39, 0.00317849/step Wall: 4890.39, 0.00317849/step, 3.0487 hours remaining, 235.984375 MB of memory in use. ENERGY: 1547000 3994.3291 20658.6552 14510.8080 255.1239 -203169.6783 2361.2305 0.0000 0.0000 52251.7504 -109137.7811 300.2915 -161389.5315 -108777.0365 299.0819 58.7349 85.7121 760632.3980 -12.0939 -12.1835 PRESSURE: 1547200 -242.019 -282.937 87.3009 -282.936 -392.992 41.9184 87.3002 41.9179 -267.983 GPRESSURE: 1547200 -275.232 -263.124 36.8022 -236.068 -189.805 -3.51534 33.0656 140.73 -336.861 PRESSAVG: 1547200 35.4878 -24.517 8.22687 -24.5171 -24.813 15.691 8.22691 15.691 -13.3525 GPRESSAVG: 1547200 35.1305 -23.1917 8.88765 -25.3138 -24.1585 15.9265 6.38585 15.7629 -14.2053 TIMING: 1547200 CPU: 4891.02, 0.00316627/step Wall: 4891.02, 0.00316627/step, 3.03681 hours remaining, 235.984375 MB of memory in use. ENERGY: 1547200 3931.2560 20556.5699 14591.6642 252.6373 -202560.2018 1887.3346 0.0000 0.0000 52178.3604 -109162.3794 299.8698 -161340.7398 -108798.9185 300.0930 -300.9979 -267.2994 762642.4147 -0.8926 -1.0778 PRESSURE: 1547400 6.57903 80.9664 -5.10823 80.9664 -215.164 -23.4712 -5.10851 -23.4716 368.595 GPRESSURE: 1547400 -34.9419 139.805 51.1237 106.079 -102.257 17.7257 52.7049 -33.7971 394.131 PRESSAVG: 1547400 65.0802 -12.2349 -20.7533 -12.2349 -86.7734 52.8708 -20.7533 52.8707 13.0001 GPRESSAVG: 1547400 65.3558 -11.7973 -20.999 -12.2342 -86.0155 54.4346 -18.5772 52.4531 12.0826 TIMING: 1547400 CPU: 4891.66, 0.0031773/step Wall: 4891.66, 0.0031773/step, 3.04721 hours remaining, 235.984375 MB of memory in use. ENERGY: 1547400 3931.4842 20473.2653 14524.0255 234.2220 -203319.2425 2562.3367 0.0000 0.0000 52496.0138 -109097.8950 301.6953 -161593.9088 -108725.4715 299.8713 53.3367 85.6443 760348.9510 -2.8977 -2.8590 PRESSURE: 1547600 -92.2533 -190.338 -16.0904 -190.337 83.2847 151.737 -16.0898 151.736 322.07 GPRESSURE: 1547600 -25.9475 -78.9328 46.3474 -233.536 44.5756 247.175 -122.874 79.0862 375.844 PRESSAVG: 1547600 5.35998 5.37022 26.1175 5.3702 -30.4388 47.5284 26.1175 47.5284 7.28722 GPRESSAVG: 1547600 4.65491 7.13192 26.533 4.25322 -31.6211 46.7102 24.1614 47.6338 9.09348 TIMING: 1547600 CPU: 4892.29, 0.00317126/step Wall: 4892.29, 0.00317126/step, 3.04124 hours remaining, 235.984375 MB of memory in use. ENERGY: 1547600 3957.5458 20816.6994 14514.5901 258.4583 -202917.0105 2426.8421 0.0000 0.0000 51845.3370 -109097.5378 297.9559 -160942.8748 -108752.3562 300.1231 104.3672 131.4907 761652.2679 -5.9305 -5.9576 PRESSURE: 1547800 256.376 -165.081 45.2975 -165.08 -231.719 43.8643 45.2978 43.8652 164.978 GPRESSURE: 1547800 187.221 -138.19 -34.1756 -117.6 -146.815 109.349 47.4127 36.1783 239.707 PRESSAVG: 1547800 7.59185 -13.271 -32.3344 -13.271 16.1554 67.7281 -32.3344 67.7282 -1.20788 GPRESSAVG: 1547800 8.37284 -15.1819 -33.703 -10.9244 16.3038 67.5585 -29.7767 67.8559 -2.93275 TIMING: 1547800 CPU: 4892.93, 0.00316764/step Wall: 4892.93, 0.00316764/step, 3.03759 hours remaining, 235.984375 MB of memory in use. ENERGY: 1547800 3946.2376 20560.0424 14530.7415 267.4408 -202717.6648 2186.1865 0.0000 0.0000 52024.6223 -109202.3937 298.9862 -161227.0160 -108847.2755 299.7629 63.2117 93.3708 760899.2693 7.5131 7.2480 PRESSURE: 1548000 -145.697 147.673 195.248 147.673 -434.566 -128.555 195.248 -128.556 21.0712 GPRESSURE: 1548000 -191.787 155.293 128.925 181.201 -324.668 -135.774 111.359 -236.406 32.4533 PRESSAVG: 1548000 34.5308 32.8728 -4.95672 32.8729 -22.3224 9.02774 -4.95677 9.02766 -13.3469 GPRESSAVG: 1548000 34.0569 31.6942 -4.50948 31.7109 -22.574 8.24204 -7.6397 8.1552 -12.2897 TIMING: 1548000 CPU: 4893.56, 0.00315241/step Wall: 4893.56, 0.00315241/step, 3.02281 hours remaining, 235.984375 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: 1548000 4007.4283 20527.3535 14543.4960 255.2665 -202891.6695 2217.0096 0.0000 0.0000 51946.7203 -109394.3952 298.5385 -161341.1155 -109032.5692 299.4481 -186.3973 -161.3339 760327.0090 -0.3795 -0.2690 PRESSURE: 1548200 -329.933 266.376 46.9569 266.376 -118.739 127.878 46.9558 127.878 90.2214 GPRESSURE: 1548200 -256.967 306.268 102.467 144.425 -145.472 24.5364 48.0666 136.147 126.817 PRESSAVG: 1548200 24.2108 -12.4951 18.1822 -12.4952 -31.9919 27.5285 18.1823 27.5285 -5.23906 GPRESSAVG: 1548200 24.9147 -12.2463 17.3863 -11.0917 -31.9584 27.2419 19.8462 29.9771 -5.79588 TIMING: 1548200 CPU: 4894.19, 0.00315324/step Wall: 4894.19, 0.00315324/step, 3.02343 hours remaining, 235.984375 MB of memory in use. ENERGY: 1548200 4017.8992 20492.6783 14432.0178 240.9761 -203374.9181 2486.3596 0.0000 0.0000 52403.8429 -109301.1443 301.1656 -161704.9871 -108941.6759 300.0364 -119.4837 -91.8739 760349.6150 -4.3400 -4.2798 LDB: ============= START OF LOAD BALANCING ============== 4906.72 LDB: ============== END OF LOAD BALANCING =============== 4906.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4906.72 LDB: ============= START OF LOAD BALANCING ============== 4907.04 LDB: Largest compute 7037 load 0.031224 is 16.0% of average load 0.195449 LDB: Average compute 0.004372 is 2.2% of average load 0.195449 LDB: TIME 4907.05 LOAD: AVG 0.195449 MAX 0.220673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.18 MB LDB: TIME 4907.05 LOAD: AVG 0.195449 MAX 0.220673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: TIME 4907.05 LOAD: AVG 0.195449 MAX 0.217778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: ============== END OF LOAD BALANCING =============== 4907.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4907.05 PRESSURE: 1548400 -219.517 43.9875 -62.833 43.9877 -344.277 143.096 -62.8339 143.095 -38.6307 GPRESSURE: 1548400 -197.616 90.3039 -15.9803 -16.9478 -312.591 189.488 62.3826 138.665 12.1089 PRESSAVG: 1548400 20.1696 3.10448 16.2134 3.10445 -38.3719 7.47232 16.2134 7.4723 2.37025 GPRESSAVG: 1548400 19.5511 4.59541 17.1878 0.809515 -37.6476 7.6183 18.2732 6.73647 2.39602 TIMING: 1548400 CPU: 4894.84, 0.00324534/step Wall: 4894.84, 0.00324534/step, 3.11156 hours remaining, 236.210938 MB of memory in use. ENERGY: 1548400 4001.1700 20493.8645 14474.6192 230.2898 -202813.7505 2177.6257 0.0000 0.0000 52216.6571 -109219.5243 300.0898 -161436.1814 -108847.9897 299.6526 -200.8084 -166.0330 761601.5973 -5.2774 -5.2335 PRESSURE: 1548600 119.659 277.941 -168.112 277.942 159.771 -152.722 -168.112 -152.723 -271.348 GPRESSURE: 1548600 224.85 240.382 -172.861 293.987 160.035 -198.566 -186.183 -137.243 -311.473 PRESSAVG: 1548600 1.80547 13.2718 19.5135 13.2718 -32.5784 37.7368 19.5135 37.7368 18.3355 GPRESSAVG: 1548600 2.62821 11.4881 19.3016 14.6022 -33.9831 37.8801 18.5072 38.631 18.5583 TIMING: 1548600 CPU: 4895.46, 0.00314199/step Wall: 4895.46, 0.00314199/step, 3.01229 hours remaining, 236.210938 MB of memory in use. ENERGY: 1548600 3929.2961 20481.8250 14534.8205 239.4004 -202835.6429 2401.5908 0.0000 0.0000 52017.3327 -109231.3774 298.9443 -161248.7101 -108869.1481 299.6803 2.6938 24.4707 763262.0454 -4.1458 -4.2655 PRESSURE: 1548800 8.61119 -65.2182 -67.3198 -65.2177 41.7935 -252.502 -67.3213 -252.502 -339.347 GPRESSURE: 1548800 -22.459 -116.132 -31.9595 -165.137 65.7176 -179.616 -86.9721 -233.003 -253.243 PRESSAVG: 1548800 -26.9255 29.1568 -72.9455 29.1568 -9.87036 -20.3962 -72.9455 -20.3962 -4.60225 GPRESSAVG: 1548800 -26.2172 28.7026 -72.883 29.4203 -9.32185 -20.9021 -74.4425 -21.5067 -5.89664 TIMING: 1548800 CPU: 4896.09, 0.00314202/step Wall: 4896.09, 0.00314202/step, 3.01215 hours remaining, 236.210938 MB of memory in use. ENERGY: 1548800 3918.3161 20470.6429 14563.0301 251.9443 -202869.7941 2258.5382 0.0000 0.0000 52111.1841 -109296.1384 299.4837 -161407.3225 -108939.8683 299.3589 -96.3142 -69.9949 761549.2562 -13.7994 -13.8119 PRESSURE: 1549000 -513.65 -9.24845 72.4921 -9.24878 -194.092 87.637 72.4919 87.6369 -182.891 GPRESSURE: 1549000 -461.781 -33.8766 54.1122 78.3729 -156.957 -84.1247 20.3436 54.6378 -178.503 PRESSAVG: 1549000 1.98757 -26.8711 -20.63 -26.8711 10.0194 -41.4111 -20.63 -41.411 5.62325 GPRESSAVG: 1549000 1.41081 -24.9833 -20.7959 -29.068 10.7872 -41.7188 -22.1628 -41.7472 5.83713 TIMING: 1549000 CPU: 4896.72, 0.00315918/step Wall: 4896.72, 0.00315918/step, 3.02842 hours remaining, 236.210938 MB of memory in use. ENERGY: 1549000 3968.1048 20428.4392 14511.0472 242.6706 -203267.8806 2455.4935 0.0000 0.0000 52102.2477 -109559.8775 299.4323 -161662.1253 -109208.8254 299.6519 -296.8775 -265.7469 761703.2423 5.8767 6.0117 PRESSURE: 1549200 78.892 66.2114 74.0781 66.2124 -131.802 -17.6118 74.0786 -17.6116 -120.409 GPRESSURE: 1549200 76.2707 3.00726 143.253 52.641 -37.7246 -125.767 5.70391 65.8916 -127.419 PRESSAVG: 1549200 -7.07044 -31.9792 -15.1949 -31.9792 21.3351 10.3449 -15.1949 10.3449 -0.992766 GPRESSAVG: 1549200 -7.61133 -33.3298 -15.9938 -30.3651 20.7584 10.5875 -13.8621 9.76262 0.102355 TIMING: 1549200 CPU: 4897.36, 0.00316239/step Wall: 4897.36, 0.00316239/step, 3.03132 hours remaining, 236.210938 MB of memory in use. ENERGY: 1549200 3962.0193 20432.8898 14486.5157 230.5928 -203269.0613 2565.8177 0.0000 0.0000 52190.1757 -109401.0502 299.9377 -161591.2259 -109037.1323 299.3692 -57.7731 -29.6243 762498.9611 4.4240 4.4165 PRESSURE: 1549400 229.756 -14.85 115.446 -14.8494 -36.3163 11.6289 115.446 11.6298 -42.1176 GPRESSURE: 1549400 266.819 12.0594 48.1825 -62.3466 -40.7583 29.807 110.737 105.531 6.34212 PRESSAVG: 1549400 -22.9206 -38.3028 -23.8965 -38.3028 10.6493 -6.711 -23.8965 -6.71102 8.11392 GPRESSAVG: 1549400 -22.896 -38.4241 -22.9852 -39.8683 10.8085 -5.94848 -23.7493 -4.89312 7.61006 TIMING: 1549400 CPU: 4897.99, 0.00315428/step Wall: 4897.99, 0.00315428/step, 3.02337 hours remaining, 236.210938 MB of memory in use. ENERGY: 1549400 3945.3184 20435.6124 14510.4748 255.7528 -203137.9888 2591.8782 0.0000 0.0000 52105.8705 -109293.0817 299.4532 -161398.9523 -108929.3285 299.1837 50.4408 77.4675 760822.8501 -1.3858 -1.4925 PRESSURE: 1549600 -334.141 -18.5346 45.3488 -18.5348 -94.3219 117.503 45.3489 117.503 455.902 GPRESSURE: 1549600 -237.537 -100.071 58.7346 -12.9418 -36.3433 141.869 -64.0593 126.379 382.487 PRESSAVG: 1549600 16.1399 -34.2182 -21.0295 -34.2182 -5.08688 11.1844 -21.0295 11.1845 -1.57891 GPRESSAVG: 1549600 16.5771 -34.2259 -21.6422 -33.364 -5.52638 11.6611 -20.8944 10.4405 -1.54771 TIMING: 1549600 CPU: 4898.62, 0.00315822/step Wall: 4898.62, 0.00315822/step, 3.02698 hours remaining, 236.210938 MB of memory in use. ENERGY: 1549600 3939.5975 20329.1708 14453.4600 255.9213 -203160.7284 2428.8382 0.0000 0.0000 52378.1979 -109375.5427 301.0182 -161753.7406 -109015.8728 299.1293 9.1464 36.2023 761711.0838 3.1581 3.1677 PRESSURE: 1549800 119.071 131.966 112.694 131.966 -7.01359 142.157 112.694 142.158 492.393 GPRESSURE: 1549800 221.237 116.769 90.5688 86.5038 -32.4138 129.177 -0.494526 97.8393 477.515 PRESSAVG: 1549800 38.1812 -15.8418 -23.7539 -15.8418 -73.6707 59.9732 -23.7538 59.9732 -0.915552 GPRESSAVG: 1549800 38.9412 -16.5468 -22.2049 -14.8232 -73.0792 58.0329 -24.369 59.9525 -2.47403 TIMING: 1549800 CPU: 4899.25, 0.00315296/step Wall: 4899.25, 0.00315296/step, 3.02176 hours remaining, 236.210938 MB of memory in use. ENERGY: 1549800 3857.7528 20414.3222 14497.9615 252.2768 -203260.2775 2650.1849 0.0000 0.0000 52163.1409 -109424.6384 299.7823 -161587.7793 -109057.1925 298.9247 201.4834 222.1129 761466.4712 -12.1350 -12.2040 PRESSURE: 1550000 -5.55129 -23.6839 59.0282 -23.6836 -12.8361 -81.4251 59.0281 -81.4247 -284.777 GPRESSURE: 1550000 34.9503 -11.0994 117.864 -39.844 17.1447 -76.3803 148.613 34.1674 -272.767 PRESSAVG: 1550000 27.4379 16.4723 -42.9034 16.4723 -29.6606 -0.12829 -42.9033 -0.128229 -0.795346 GPRESSAVG: 1550000 27.1766 16.8203 -44.693 15.4726 -30.26 -0.0430027 -41.2975 0.0112469 0.361329 TIMING: 1550000 CPU: 4899.89, 0.00317609/step Wall: 4899.89, 0.00317609/step, 3.04375 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: 1550000 3985.0599 20471.3440 14521.1991 252.2138 -203027.1354 2309.2225 0.0000 0.0000 51992.8714 -109495.2247 298.8037 -161488.0961 -109133.6872 299.1158 -101.0550 -73.5574 762599.8462 -1.0060 -0.9074 PRESSURE: 1550200 125.724 -19.641 135.227 -19.6406 60.5494 -52.6862 135.227 -52.6867 174.529 GPRESSURE: 1550200 114.973 77.3942 137.254 115.921 146.088 -18.0535 136.089 -41.6171 201.445 PRESSAVG: 1550200 -0.820582 10.4629 -16.0622 10.4629 2.35255 26.7751 -16.0622 26.775 4.51525 GPRESSAVG: 1550200 -1.60793 10.2427 -14.4557 10.5141 2.41973 28.3403 -17.8375 28.2857 4.92133 TIMING: 1550200 CPU: 4900.51, 0.00314342/step Wall: 4900.51, 0.00314342/step, 3.01227 hours remaining, 236.210938 MB of memory in use. ENERGY: 1550200 3976.6038 20350.8387 14510.5667 246.2269 -203051.1813 2464.4954 0.0000 0.0000 51975.0798 -109527.3701 298.7015 -161502.4499 -109166.8103 298.2751 120.2675 154.1686 760163.8440 2.0157 1.9110 PRESSURE: 1550400 -63.3191 -131.857 -145.09 -131.857 -189.547 -157.388 -145.091 -157.39 -27.3068 GPRESSURE: 1550400 -30.3592 -148.011 -138.878 -101.385 -101.532 -105.677 -226.243 -172.882 -53.4964 PRESSAVG: 1550400 0.236189 -40.8863 -55.2859 -40.8864 -0.994071 -14.7305 -55.2859 -14.7305 -15.7841 GPRESSAVG: 1550400 -0.666561 -39.9587 -55.6313 -39.4256 0.439887 -15.677 -56.6418 -16.0375 -15.6823 TIMING: 1550400 CPU: 4901.14, 0.00314702/step Wall: 4901.14, 0.00314702/step, 3.01554 hours remaining, 236.210938 MB of memory in use. ENERGY: 1550400 3977.5268 20313.6687 14446.9626 244.1100 -203285.0960 2421.7239 0.0000 0.0000 52386.0960 -109495.0080 301.0636 -161881.1041 -109125.5693 298.9518 -93.3909 -61.7958 761754.1192 -5.5140 -5.3030 PRESSURE: 1550600 456.416 -76.6305 0.717914 -76.6302 53.8394 6.21357 0.717745 6.21417 338.231 GPRESSURE: 1550600 464.539 -210.042 -26.1667 19.0569 24.0087 -44.6443 86.99 47.8757 421.675 PRESSAVG: 1550600 23.115 -24.7132 -2.30231 -24.7133 -43.9663 -12.7207 -2.30232 -12.7207 -15.2987 GPRESSAVG: 1550600 23.6852 -25.5245 -1.80134 -25.2337 -44.7103 -13.2768 -0.865773 -12.364 -15.0888 TIMING: 1550600 CPU: 4901.78, 0.00318147/step Wall: 4901.78, 0.00318147/step, 3.04838 hours remaining, 236.210938 MB of memory in use. ENERGY: 1550600 3957.1174 20420.8597 14534.6865 248.6849 -203400.7278 2679.9775 0.0000 0.0000 52057.2965 -109502.1054 299.1740 -161559.4019 -109140.5027 299.3057 282.8289 303.4077 762163.1288 -12.0500 -12.0380 PRESSURE: 1550800 -365.904 -148.19 132.235 -148.189 -219.216 -70.7398 132.235 -70.7415 -408.052 GPRESSURE: 1550800 -362.236 -123.479 102.697 -111.515 -150.227 -156.555 83.0984 -9.00423 -406.721 PRESSAVG: 1550800 -15.718 -58.5908 -19.2145 -58.5908 15.0613 13.7739 -19.2145 13.774 -5.80921 GPRESSAVG: 1550800 -15.2427 -58.4613 -21.9275 -60.2892 15.23 14.4573 -16.4616 14.0422 -5.98133 TIMING: 1550800 CPU: 4902.41, 0.00316193/step Wall: 4902.41, 0.00316193/step, 3.02948 hours remaining, 236.210938 MB of memory in use. ENERGY: 1550800 4011.0907 20463.2808 14555.1273 243.3210 -202604.3877 2179.3023 0.0000 0.0000 51714.6067 -109437.6588 297.2046 -161152.2656 -109069.9305 299.4146 -331.0574 -306.3947 762193.4218 -2.1553 -1.9980 PRESSURE: 1551000 -395.981 71.0219 -57.8643 71.0215 -186.046 -78.9275 -57.8651 -78.9279 -243.971 GPRESSURE: 1551000 -307.422 111.935 -53.0529 3.18356 -175.841 -140.073 -154.142 23.3931 -252.433 PRESSAVG: 1551000 -78.1484 -46.295 33.0098 -46.2949 60.5265 -6.88673 33.0098 -6.88671 -19.5444 GPRESSAVG: 1551000 -77.6749 -44.9356 33.7917 -47.1672 60.0795 -6.24424 31.681 -8.48432 -19.6681 TIMING: 1551000 CPU: 4903.04, 0.00313961/step Wall: 4903.04, 0.00313961/step, 3.00792 hours remaining, 236.210938 MB of memory in use. ENERGY: 1551000 3992.7699 20493.6000 14463.7996 234.2155 -203374.4042 2626.7144 0.0000 0.0000 52025.1566 -109538.1482 298.9893 -161563.3049 -109180.0621 299.0029 -275.3329 -245.2322 763018.6021 -12.3887 -12.4211 PRESSURE: 1551200 69.4433 -8.2972 -26.2219 -8.29756 235.861 191.222 -26.2224 191.222 93.5798 GPRESSURE: 1551200 127.894 -31.3117 -5.60717 -43.5239 309.102 164.035 -101.766 282.017 59.8403 PRESSAVG: 1551200 -35.4198 -47.2031 -74.2528 -47.2031 34.6532 9.6504 -74.2528 9.65043 25.0225 GPRESSAVG: 1551200 -36.301 -47.5007 -72.7461 -48.0722 36.0847 8.47257 -75.1956 8.17544 24.9617 TIMING: 1551200 CPU: 4903.67, 0.00316419/step Wall: 4903.67, 0.00316419/step, 3.0313 hours remaining, 236.210938 MB of memory in use. ENERGY: 1551200 3986.2799 20316.6525 14446.1414 261.2215 -203606.7019 2800.6181 0.0000 0.0000 51985.4744 -109810.3141 298.7612 -161795.7885 -109463.1262 298.4303 132.9613 165.6122 760893.8115 8.0853 8.2485 PRESSURE: 1551400 94.4266 178.531 -38.5901 178.532 -234.409 -325.458 -38.5897 -325.46 206.519 GPRESSURE: 1551400 90.9641 72.409 6.44621 104.408 -245.903 -348.966 -47.5907 -408.047 292.493 PRESSAVG: 1551400 -27.9492 -18.7947 -10.1935 -18.7948 36.1442 -36.9084 -10.1935 -36.9084 7.34327 GPRESSAVG: 1551400 -27.1579 -19.1786 -11.4493 -17.5144 34.0148 -35.7223 -8.33216 -35.4334 8.41525 TIMING: 1551400 CPU: 4904.3, 0.00313728/step Wall: 4904.3, 0.00313728/step, 3.00534 hours remaining, 236.210938 MB of memory in use. ENERGY: 1551400 3927.4664 20553.6231 14497.4950 262.9247 -203363.5342 2707.3042 0.0000 0.0000 51794.7977 -109619.9230 297.6654 -161414.7207 -109255.9890 298.5844 22.1790 45.8514 761979.9680 5.1794 5.0907 PRESSURE: 1551600 52.2842 -184.54 182.105 -184.541 -328.075 -9.8603 182.105 -9.86052 68.8496 GPRESSURE: 1551600 1.84729 -175.699 129.62 -168.933 -245.419 23.7878 133.277 107.557 112.177 PRESSAVG: 1551600 -3.93394 28.8465 8.38579 28.8465 -12.4253 45.0868 8.38575 45.0868 -6.61808 GPRESSAVG: 1551600 -4.5623 28.4974 8.51963 29.3366 -11.5573 43.1944 8.29423 45.5009 -6.55992 TIMING: 1551600 CPU: 4904.93, 0.00314059/step Wall: 4904.93, 0.00314059/step, 3.00834 hours remaining, 236.210938 MB of memory in use. ENERGY: 1551600 4027.2828 20578.6447 14560.7871 241.3106 -203252.0451 2436.0014 0.0000 0.0000 51859.8691 -109548.1494 298.0394 -161408.0185 -109189.0918 299.4043 -68.9803 -43.7984 760556.9116 -7.6591 -7.5598 PRESSURE: 1551800 -117.303 -12.3186 -179.518 -12.3189 282.558 -58.5803 -179.518 -58.5805 48.9278 GPRESSURE: 1551800 18.0738 9.99049 -45.996 -117.688 161.548 -60.8433 -231.01 -139.715 104.448 PRESSAVG: 1551800 -1.59988 12.2483 -44.7464 12.2485 12.5933 41.1574 -44.7464 41.1573 -13.7089 GPRESSAVG: 1551800 -1.50204 11.7601 -43.8115 13.0002 12.6012 40.5141 -45.4181 41.6265 -13.6661 TIMING: 1551800 CPU: 4905.55, 0.00311991/step Wall: 4905.55, 0.00311991/step, 2.98836 hours remaining, 236.210938 MB of memory in use. ENERGY: 1551800 3987.5102 20542.4385 14425.0649 237.5627 -203389.6613 2551.3883 0.0000 0.0000 51944.9665 -109700.7302 298.5284 -161645.6967 -109328.3518 298.6015 71.3942 94.6901 761298.8070 -0.9052 -0.8556 PRESSURE: 1552000 275.978 79.0254 -113.095 79.0255 566.912 -73.2008 -113.095 -73.2007 326.084 GPRESSURE: 1552000 264.028 -14.4582 -76.8965 27.511 570.015 -77.6329 -75.3911 83.926 393.281 PRESSAVG: 1552000 -28.6871 -33.494 -6.04294 -33.4939 36.7937 5.66022 -6.04303 5.66024 5.53587 GPRESSAVG: 1552000 -28.7336 -35.2773 -5.31991 -33.1483 35.4154 8.29489 -6.63788 4.80298 6.8141 TIMING: 1552000 CPU: 4906.18, 0.00313002/step Wall: 4906.18, 0.00313002/step, 2.99787 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: 1552000 4009.7619 20622.6065 14452.2258 258.0173 -203859.3054 3051.7211 0.0000 0.0000 52044.7997 -109420.1731 299.1022 -161464.9728 -109049.7595 298.7883 389.6581 409.1080 760123.6421 4.5475 4.4986 PRESSURE: 1552200 -81.4501 27.3306 -177.032 27.3308 -74.3558 -163.84 -177.032 -163.839 212.209 GPRESSURE: 1552200 -11.9783 -56.9518 -185.927 -49.7602 -56.8329 -114.823 -288.578 -81.9428 186.336 PRESSAVG: 1552200 -101.212 2.38083 -44.2576 2.38078 92.6035 40.634 -44.2577 40.6341 -6.25201 GPRESSAVG: 1552200 -101.358 4.85488 -43.8716 0.70704 94.0634 38.1879 -45.8859 41.3819 -7.38976 TIMING: 1552200 CPU: 4906.81, 0.00313386/step Wall: 4906.81, 0.00313386/step, 3.00137 hours remaining, 236.210938 MB of memory in use. ENERGY: 1552200 4017.7430 20450.8061 14519.7036 255.6355 -203587.0384 2831.1654 0.0000 0.0000 52056.6381 -109455.3466 299.1702 -161511.9847 -109092.9155 298.8030 18.8010 39.1751 760915.5596 -4.9534 -4.8947 LDB: ============= START OF LOAD BALANCING ============== 4919.34 LDB: ============== END OF LOAD BALANCING =============== 4919.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4919.34 LDB: ============= START OF LOAD BALANCING ============== 4919.66 LDB: Largest compute 7037 load 0.032307 is 16.5% of average load 0.195430 LDB: Average compute 0.004385 is 2.2% of average load 0.195430 LDB: TIME 4919.66 LOAD: AVG 0.19543 MAX 0.216138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.082 MB LDB: TIME 4919.66 LOAD: AVG 0.19543 MAX 0.216138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.285 MB LDB: TIME 4919.66 LOAD: AVG 0.19543 MAX 0.216138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.285 MB LDB: ============== END OF LOAD BALANCING =============== 4919.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4919.67 PRESSURE: 1552400 192.101 212.027 -14.0249 212.028 0.809485 -60.5331 -14.0241 -60.5334 -74.1486 GPRESSURE: 1552400 225.445 168.537 -28.0024 239.799 40.2835 104.558 -63.5591 -84.4223 -66.3718 PRESSAVG: 1552400 -67.3561 -0.0227178 -38.3234 -0.0227375 75.7605 41.3176 -38.3234 41.3176 -7.17285 GPRESSAVG: 1552400 -68.0498 1.07791 -40.1796 -0.61997 76.0155 43.931 -39.1907 40.1198 -6.90866 TIMING: 1552400 CPU: 4907.45, 0.00322029/step Wall: 4907.45, 0.00322029/step, 3.08396 hours remaining, 236.082031 MB of memory in use. ENERGY: 1552400 3994.4492 20557.5809 14514.0173 256.2171 -203872.7031 3131.5559 0.0000 0.0000 51695.8915 -109722.9912 297.0970 -161418.8828 -109362.6672 298.5339 39.5871 66.4524 760458.3058 0.4105 0.3523 PRESSURE: 1552600 25.134 220.042 115.994 220.042 -44.3861 -115.306 115.995 -115.306 124.481 GPRESSURE: 1552600 209.628 147.554 46.664 161.239 -33.8455 -196.959 82.223 -62.1139 34.3732 PRESSAVG: 1552600 -4.56322 85.3599 -74.9712 85.3599 22.6916 84.6772 -74.9712 84.6773 1.27873 GPRESSAVG: 1552600 -2.23785 83.9014 -73.8661 86.1112 22.1762 82.8677 -72.6932 86.2799 -0.682904 TIMING: 1552600 CPU: 4908.08, 0.00313405/step Wall: 4908.08, 0.00313405/step, 3.0012 hours remaining, 236.082031 MB of memory in use. ENERGY: 1552600 3998.4992 20543.8467 14520.1133 245.7794 -203535.1464 2692.2191 0.0000 0.0000 51800.6487 -109734.0399 297.6990 -161534.6886 -109379.7209 297.9156 35.0764 70.0520 760831.2488 6.4690 6.4185 PRESSURE: 1552800 -175.219 -35.9083 -32.9223 -35.9086 288.132 131.357 -32.9221 131.358 -538.422 GPRESSURE: 1552800 -173.446 53.7039 -137.762 -123.575 284.975 104.72 -30.0909 108.216 -454.686 PRESSAVG: 1552800 -23.1423 58.0673 14.183 58.0673 39.9546 65.3287 14.183 65.3287 -24.4617 GPRESSAVG: 1552800 -24.55 58.4789 12.2906 58.2403 40.475 65.697 13.3309 65.9268 -23.862 TIMING: 1552800 CPU: 4908.71, 0.00315266/step Wall: 4908.71, 0.00315266/step, 3.01884 hours remaining, 236.082031 MB of memory in use. ENERGY: 1552800 4056.7278 20593.6943 14612.7220 237.7893 -203488.0829 2448.9598 0.0000 0.0000 51791.8851 -109746.3045 297.6487 -161538.1896 -109393.5279 298.3308 -141.8364 -114.3856 759488.9995 -2.5498 -2.6457 PRESSURE: 1553000 -158.951 53.1954 -84.2036 53.196 116.781 -43.3945 -84.2032 -43.3954 -229.125 GPRESSURE: 1553000 -148.745 -31.172 -51.4487 83.7026 216.089 2.83165 -63.6567 -63.226 -252.996 PRESSAVG: 1553000 -24.8146 -15.0638 -20.3653 -15.0638 93.1801 -15.2839 -20.3653 -15.2839 -8.57177 GPRESSAVG: 1553000 -25.5659 -15.9821 -20.5605 -14.4214 92.9948 -15.9482 -19.9706 -15.7782 -7.73057 TIMING: 1553000 CPU: 4909.34, 0.00314589/step Wall: 4909.34, 0.00314589/step, 3.01219 hours remaining, 236.082031 MB of memory in use. ENERGY: 1553000 4007.7216 20505.3840 14554.2479 231.1284 -203808.1049 2819.4044 0.0000 0.0000 51956.3215 -109733.8972 298.5937 -161690.2187 -109362.5563 298.8309 -90.4318 -61.8843 762095.3360 19.9313 19.8994 PRESSURE: 1553200 174.385 -10.3295 24.717 -10.3291 -129.121 -246.072 24.7158 -246.071 180.515 GPRESSURE: 1553200 158.247 28.658 -42.4669 -46.7502 -70.2137 -153.063 -36.4914 -91.2433 220.444 PRESSAVG: 1553200 -39.5816 10.5726 -28.6136 10.5726 26.911 11.139 -28.6135 11.139 10.9234 GPRESSAVG: 1553200 -37.9397 9.82075 -28.8599 10.6367 25.2896 12.131 -27.1868 9.98264 10.8121 TIMING: 1553200 CPU: 4909.97, 0.00315723/step Wall: 4909.97, 0.00315723/step, 3.02287 hours remaining, 236.082031 MB of memory in use. ENERGY: 1553200 4042.2088 20553.7055 14552.0716 247.0905 -203568.9845 2585.1829 0.0000 0.0000 52040.7872 -109547.9380 299.0791 -161588.7251 -109192.2761 298.7086 75.2598 102.8258 761908.7064 -0.5824 -0.6127 PRESSURE: 1553400 275.223 243.319 -276.647 243.319 -92.7464 18.3249 -276.647 18.3244 220.549 GPRESSURE: 1553400 320.306 315.07 -328.995 156.558 -57.7167 -65.3852 -244.554 69.8434 232.257 PRESSAVG: 1553400 27.5802 -40.9225 14.9723 -40.9224 -25.4114 -15.0611 14.9723 -15.0613 -13.9533 GPRESSAVG: 1553400 26.8918 -39.4576 16.0344 -41.1898 -24.8885 -15.4817 14.2813 -13.7683 -13.6281 TIMING: 1553400 CPU: 4910.6, 0.0031574/step Wall: 4910.6, 0.0031574/step, 3.02286 hours remaining, 236.082031 MB of memory in use. ENERGY: 1553400 3989.0635 20444.5460 14649.0773 234.1820 -203389.0681 2423.8387 0.0000 0.0000 52314.7218 -109333.6387 300.6534 -161648.3606 -108975.1483 299.4166 134.3420 164.9487 759654.2794 -3.9282 -3.8749 PRESSURE: 1553600 130.228 -6.05099 -155.424 -6.05095 231.52 -125.244 -155.425 -125.243 54.4839 GPRESSURE: 1553600 71.7187 1.08652 -130.666 -56.6754 262.82 -245.886 -264.564 -78.9496 181.159 PRESSAVG: 1553600 82.3545 -7.19325 -8.39201 -7.19318 -47.7245 16.5569 -8.39193 16.5569 -0.560934 GPRESSAVG: 1553600 81.7413 -7.25166 -8.46539 -7.95847 -47.5837 17.0848 -8.89375 14.3456 -0.246563 TIMING: 1553600 CPU: 4911.23, 0.00313558/step Wall: 4911.23, 0.00313558/step, 3.0018 hours remaining, 236.082031 MB of memory in use. ENERGY: 1553600 3943.6765 20448.3259 14472.5103 257.7448 -203306.0480 2777.2783 0.0000 0.0000 52069.0613 -109337.4508 299.2416 -161406.5121 -108978.9721 299.4888 138.7440 171.8994 760801.1592 11.3563 11.3037 PRESSURE: 1553800 13.5979 -38.8465 -86.9067 -38.8473 -176.666 51.6064 -86.9069 51.6073 26.7403 GPRESSURE: 1553800 -4.28431 -54.8516 -77.3229 15.3379 -125.801 -7.2446 88.2842 94.0623 74.4452 PRESSAVG: 1553800 -39.2617 -3.64783 8.13782 -3.64788 4.41206 -29.1282 8.1378 -29.1281 -8.71444 GPRESSAVG: 1553800 -39.9048 -4.1706 8.01301 -0.610396 6.39494 -28.8932 8.49292 -28.5594 -10.3599 TIMING: 1553800 CPU: 4911.86, 0.00315142/step Wall: 4911.86, 0.00315142/step, 3.01679 hours remaining, 236.082031 MB of memory in use. ENERGY: 1553800 4016.1510 20295.2834 14589.2453 269.9656 -203261.1603 2612.8868 0.0000 0.0000 52034.5908 -109443.0373 299.0435 -161477.6282 -109077.1456 298.9983 -45.4425 -18.5469 762142.7822 -14.5214 -14.6233 PRESSURE: 1554000 50.9952 -112.265 218.688 -112.264 -227.469 -258.012 218.688 -258.013 255.557 GPRESSURE: 1554000 33.1413 -137.91 137.559 -184.433 -124.168 -316.633 237.76 -180.967 265.877 PRESSAVG: 1554000 -63.8731 12.5699 -17.7858 12.5698 45.9754 -27.6635 -17.7857 -27.6636 2.40421 GPRESSAVG: 1554000 -62.9037 11.6619 -18.2879 10.0112 43.4088 -28.6968 -17.5145 -26.84 4.19304 TIMING: 1554000 CPU: 4912.48, 0.00314313/step Wall: 4912.48, 0.00314313/step, 3.00867 hours remaining, 236.082031 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: 1554000 4015.3033 20351.2344 14495.8923 245.7329 -203637.3926 2799.5433 0.0000 0.0000 52328.1365 -109401.5498 300.7305 -161729.6864 -109028.4312 299.7390 26.3610 58.2835 761468.3343 -5.1645 -5.1006 PRESSURE: 1554200 39.727 271.963 6.21646 271.964 -57.46 74.3795 6.21616 74.3805 62.1381 GPRESSURE: 1554200 112.285 137.605 -8.98046 280.39 -21.0675 -39.1518 -56.4314 162.565 48.7932 PRESSAVG: 1554200 -18.887 24.4344 -16.7077 24.4343 36.446 -17.343 -16.7077 -17.343 -9.96447 GPRESSAVG: 1554200 -19.3544 25.7788 -15.6664 24.0081 37.5436 -15.3135 -16.1456 -18.5337 -10.4771 TIMING: 1554200 CPU: 4913.11, 0.00313063/step Wall: 4913.11, 0.00313063/step, 2.99653 hours remaining, 236.082031 MB of memory in use. ENERGY: 1554200 3938.9349 20449.5688 14474.8393 239.3982 -203369.8980 2676.3419 0.0000 0.0000 52009.8698 -109580.9450 298.9014 -161590.8148 -109209.1585 299.2949 14.8017 46.6701 761881.8654 2.5315 2.5707 PRESSURE: 1554400 -80.3892 -122.723 309.754 -122.722 -157.935 -0.625059 309.754 -0.625885 -197.014 GPRESSURE: 1554400 -79.4985 -218.61 387.407 -133.453 -63.173 97.739 193.249 -78.3127 -215.298 PRESSAVG: 1554400 9.06155 28.8071 42.6937 28.8071 -19.2673 -32.9699 42.6937 -32.9698 17.8708 GPRESSAVG: 1554400 8.64835 28.5948 42.1326 28.8271 -18.6375 -34.9169 40.5318 -32.0777 17.5834 TIMING: 1554400 CPU: 4913.74, 0.00314176/step Wall: 4913.74, 0.00314176/step, 3.00701 hours remaining, 236.082031 MB of memory in use. ENERGY: 1554400 3990.3545 20306.9059 14503.7407 230.3301 -203163.3249 2421.6699 0.0000 0.0000 51975.7597 -109734.5642 298.7054 -161710.3238 -109366.8247 298.9672 -145.1129 -119.3231 761482.1172 2.5550 2.5314 PRESSURE: 1554600 132.313 82.4249 27.5314 82.4246 -86.4546 -11.2053 27.5305 -11.2043 -26.3622 GPRESSURE: 1554600 130.226 192.317 -18.0305 -33.18 -33.3279 60.5696 60.784 13.3408 10.4802 PRESSAVG: 1554600 38.4082 -2.54237 8.36327 -2.5424 -40.9676 4.33532 8.36318 4.33536 7.12788 GPRESSAVG: 1554600 37.8402 -2.94795 8.80094 -1.99732 -39.8368 5.55855 7.5679 3.65331 6.56421 TIMING: 1554600 CPU: 4914.37, 0.00313596/step Wall: 4914.37, 0.00313596/step, 3.00129 hours remaining, 236.082031 MB of memory in use. ENERGY: 1554600 4004.4345 20472.5440 14480.2094 240.9271 -203378.9334 2577.6866 0.0000 0.0000 52294.0971 -109309.0347 300.5349 -161603.1319 -108945.1396 299.2633 6.4986 35.7929 761862.5007 1.5228 1.5225 PRESSURE: 1554800 41.6774 198.983 -175.841 198.983 48.4646 7.7621 -175.843 7.76311 -168.935 GPRESSURE: 1554800 81.8308 -13.9996 -179.057 90.3786 84.5025 -70.235 -194.253 117.303 -164.458 PRESSAVG: 1554800 -14.8882 12.7523 -19.8815 12.7524 -11.5276 23.3076 -19.8814 23.3076 -3.36721 GPRESSAVG: 1554800 -13.1569 13.8491 -20.952 12.0471 -13.6538 23.2115 -16.5681 23.6919 -2.98406 TIMING: 1554800 CPU: 4915, 0.00315292/step Wall: 4915, 0.00315292/step, 3.01734 hours remaining, 236.082031 MB of memory in use. ENERGY: 1554800 4025.9265 20504.5915 14528.5549 230.3626 -203637.4375 2898.3537 0.0000 0.0000 52169.0937 -109280.5545 299.8165 -161449.6482 -108922.1645 299.6813 -26.2644 0.6251 762624.6032 -9.9277 -9.9316 PRESSURE: 1555000 206.375 -54.9408 -153.194 -54.9415 -3.4044 -36.8499 -153.195 -36.8497 228.66 GPRESSURE: 1555000 194.63 -155.044 -144.736 64.169 80.1006 -103.506 -34.9582 1.43253 218.4 PRESSAVG: 1555000 31.6754 11.4234 -24.0883 11.4235 70.3678 16.0426 -24.0884 16.0426 30.6435 GPRESSAVG: 1555000 31.6367 9.80651 -22.8011 12.9396 71.605 14.517 -25.2531 15.8663 29.6126 TIMING: 1555000 CPU: 4915.63, 0.00314445/step Wall: 4915.63, 0.00314445/step, 3.00906 hours remaining, 236.082031 MB of memory in use. ENERGY: 1555000 3945.7984 20417.5451 14525.7645 227.3193 -203490.1999 2697.2229 0.0000 0.0000 52131.0159 -109545.5338 299.5977 -161676.5497 -109182.7720 299.7648 143.8771 164.3765 760547.6540 44.2289 44.2848 PRESSURE: 1555200 141.81 -260.801 -61.4998 -260.801 -6.39662 -88.1595 -61.4995 -88.1605 -19.2513 GPRESSURE: 1555200 42.1362 -107.309 5.77828 -236.186 160.265 -58.8125 42.5698 7.51795 -5.84336 PRESSAVG: 1555200 9.42221 -38.4097 -3.85566 -38.4097 12.2435 -24.7591 -3.85566 -24.7591 -19.2666 GPRESSAVG: 1555200 8.54713 -36.5283 -4.1919 -37.9854 12.8526 -24.995 -2.7519 -22.9196 -19.1765 TIMING: 1555200 CPU: 4916.25, 0.00311659/step Wall: 4916.25, 0.00311659/step, 2.98223 hours remaining, 236.082031 MB of memory in use. ENERGY: 1555200 4017.3059 20561.9016 14514.0119 270.6936 -203264.9517 2654.3085 0.0000 0.0000 51984.1011 -109262.6292 298.7533 -161246.7303 -108908.4738 299.3493 38.7208 65.5192 760575.7986 0.7997 0.7411 PRESSURE: 1555400 -261.243 -14.0882 97.5432 -14.087 49.7578 219.737 97.5432 219.736 -172.182 GPRESSURE: 1555400 -172.961 -100.006 69.5358 8.59844 48.4081 300.974 -146.982 242.983 -166.673 PRESSAVG: 1555400 -30.766 -32.3006 13.6563 -32.3005 42.7714 45.0475 13.6563 45.0475 20.0472 GPRESSAVG: 1555400 -30.8171 -35.0496 12.773 -32.5369 42.288 47.6947 11.1944 43.3098 20.4917 TIMING: 1555400 CPU: 4916.88, 0.00314476/step Wall: 4916.88, 0.00314476/step, 3.00901 hours remaining, 236.082031 MB of memory in use. ENERGY: 1555400 4051.1923 20702.5954 14461.1532 236.0520 -202893.5640 2334.9475 0.0000 0.0000 52108.0590 -108999.5646 299.4657 -161107.6237 -108639.2965 300.0381 -127.8891 -97.0755 760243.1970 10.6842 10.6542 PRESSURE: 1555600 -205.942 -40.2981 -243.566 -40.2982 -262.986 144.973 -243.567 144.972 -281.926 GPRESSURE: 1555600 -182.22 -4.78307 -161.291 -58.8574 -208.872 117.308 -146.895 123.562 -283.108 PRESSAVG: 1555600 -17.443 -7.94607 -17.0952 -7.94606 -4.85639 57.6026 -17.0952 57.6027 1.45198 GPRESSAVG: 1555600 -17.7176 -7.6467 -15.4811 -7.62385 -5.91933 56.9695 -17.1478 57.1314 2.4258 TIMING: 1555600 CPU: 4917.51, 0.00313843/step Wall: 4917.51, 0.00313843/step, 3.00278 hours remaining, 236.082031 MB of memory in use. ENERGY: 1555600 3989.6093 20486.8153 14570.7471 235.2146 -202712.4900 2269.5138 0.0000 0.0000 52034.2049 -109126.3850 299.0413 -161160.5899 -108767.4042 299.7063 -250.2849 -224.7332 760064.1524 -6.9491 -7.0704 PRESSURE: 1555800 74.8153 84.6806 -12.2671 84.6806 -74.5235 53.6287 -12.2672 53.6283 -307.836 GPRESSURE: 1555800 75.153 24.4391 43.8596 130.16 -22.5102 25.7454 23.6655 231.002 -285.47 PRESSAVG: 1555800 1.22845 21.6889 43.7574 21.6889 -16.8844 51.6286 43.7574 51.6286 24.5274 GPRESSAVG: 1555800 3.12263 21.465 43.2566 20.0957 -16.8562 49.7322 45.6809 53.0122 22.3463 TIMING: 1555800 CPU: 4918.14, 0.00315427/step Wall: 4918.14, 0.00315427/step, 3.01776 hours remaining, 236.082031 MB of memory in use. ENERGY: 1555800 3935.5144 20490.5818 14618.3394 259.3418 -202887.3890 2450.9547 0.0000 0.0000 52039.7505 -109092.9064 299.0732 -161132.6569 -108738.7694 299.1867 -102.5147 -77.6092 761607.9616 2.9571 2.8709 PRESSURE: 1556000 -148.311 -155.829 -78.6427 -155.831 1.57301 -230.504 -78.6435 -230.504 245.983 GPRESSURE: 1556000 -144.816 -76.9862 66.443 -173.391 72.7977 -174.144 -157.785 -180.653 272.971 PRESSAVG: 1556000 -2.37169 -47.9335 10.4267 -47.9335 -35.8667 -5.34538 10.4268 -5.34543 26.7849 GPRESSAVG: 1556000 -3.23346 -45.1365 9.12663 -50.0362 -35.902 -5.08277 10.3083 -5.41302 27.5501 TIMING: 1556000 CPU: 4918.77, 0.00316687/step Wall: 4918.77, 0.00316687/step, 3.02964 hours remaining, 236.082031 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: 1556000 3895.3314 20549.8818 14495.7093 275.0188 -202813.0440 2417.8044 0.0000 0.0000 51989.1522 -109190.1461 298.7824 -161179.2983 -108832.8327 299.8053 33.0816 66.9840 761930.7389 -3.8178 -3.8618 PRESSURE: 1556200 97.5028 -36.169 -67.88 -36.1687 156.038 -21.8528 -67.8801 -21.8516 167.369 GPRESSURE: 1556200 87.9122 -85.5578 -77.9056 -130.883 210.961 -44.6489 -92.157 50.2184 215.62 PRESSAVG: 1556200 -25.405 -8.22092 -37.6162 -8.22097 57.0796 -46.111 -37.6162 -46.111 6.19981 GPRESSAVG: 1556200 -26.5198 -10.529 -38.1222 -5.62849 57.6384 -45.2235 -37.7297 -49.2183 6.09007 TIMING: 1556200 CPU: 4919.4, 0.00315056/step Wall: 4919.4, 0.00315056/step, 3.01386 hours remaining, 236.082031 MB of memory in use. ENERGY: 1556200 3930.9958 20545.5703 14468.3254 251.4008 -203317.0256 2555.1293 0.0000 0.0000 52320.2853 -109245.3187 300.6854 -161565.6040 -108882.8151 299.1657 140.3032 171.4976 761181.8862 12.6248 12.4029 LDB: ============= START OF LOAD BALANCING ============== 4931.93 LDB: ============== END OF LOAD BALANCING =============== 4931.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4931.93 LDB: ============= START OF LOAD BALANCING ============== 4932.25 LDB: Largest compute 7037 load 0.029921 is 15.3% of average load 0.195451 LDB: Average compute 0.004379 is 2.2% of average load 0.195451 LDB: TIME 4932.25 LOAD: AVG 0.195451 MAX 0.214051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.598 MB LDB: TIME 4932.25 LOAD: AVG 0.195451 MAX 0.214051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.598 MB LDB: TIME 4932.25 LOAD: AVG 0.195451 MAX 0.214051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.598 MB LDB: ============== END OF LOAD BALANCING =============== 4932.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4932.26 PRESSURE: 1556400 -17.0486 78.3972 50.2963 78.3971 -330.767 104.455 50.2955 104.455 -34.1929 GPRESSURE: 1556400 16.4963 55.3186 38.7886 -29.8982 -211.157 70.0292 91.2844 33.9061 -72.2666 PRESSAVG: 1556400 -10.3863 -4.25974 -15.2323 -4.25972 22.6906 38.7422 -15.2324 38.7421 31.6334 GPRESSAVG: 1556400 -9.30549 -5.08148 -13.4255 -3.34444 21.359 38.0529 -16.2191 41.4987 31.0373 TIMING: 1556400 CPU: 4920.04, 0.00320965/step Wall: 4920.04, 0.00320965/step, 3.0702 hours remaining, 235.437500 MB of memory in use. ENERGY: 1556400 4041.9167 20391.2722 14438.0835 251.6984 -202856.7545 2428.7889 0.0000 0.0000 52022.2291 -109282.7657 298.9725 -161304.9948 -108922.3079 299.9411 -127.3362 -88.9758 762187.7205 14.6459 14.3636 PRESSURE: 1556600 123.87 -71.2723 201.417 -71.2731 143.662 -131.163 201.418 -131.164 104.315 GPRESSURE: 1556600 83.1111 -130.435 195.581 -4.41258 188.742 -193.162 169.663 -31.1958 187.892 PRESSAVG: 1556600 -4.63719 -18.3662 38.1696 -18.3662 -2.1167 -17.754 38.1696 -17.7541 -8.66102 GPRESSAVG: 1556600 -7.06406 -17.1103 37.8557 -18.2356 -0.605178 -18.3717 37.364 -17.6337 -7.48693 TIMING: 1556600 CPU: 4920.68, 0.00316763/step Wall: 4920.68, 0.00316763/step, 3.02984 hours remaining, 235.695312 MB of memory in use. ENERGY: 1556600 4008.1864 20457.7092 14518.6522 242.1122 -203346.9627 2796.0833 0.0000 0.0000 52086.2268 -109237.9926 299.3403 -161324.2194 -108876.1457 299.3313 123.9490 153.2483 762544.9386 -5.1383 -5.0521 PRESSURE: 1556800 -152.238 -21.1664 -21.0683 -21.1665 134.667 -27.2977 -21.0683 -27.2976 113.932 GPRESSURE: 1556800 -33.5486 -83.823 -34.4649 32.1922 49.1616 -29.3625 73.1316 -49.3123 169.771 PRESSAVG: 1556800 -9.44487 -15.8599 26.5417 -15.8599 13.2705 9.46031 26.5417 9.46022 -20.2296 GPRESSAVG: 1556800 -7.6635 -17.9061 25.1187 -15.7923 12.0712 10.6301 26.3773 8.87467 -20.8032 TIMING: 1556800 CPU: 4921.3, 0.0031403/step Wall: 4921.3, 0.0031403/step, 3.00352 hours remaining, 235.855469 MB of memory in use. ENERGY: 1556800 3946.7237 20530.0205 14547.4574 245.6273 -203461.4742 2652.8882 0.0000 0.0000 52217.1430 -109321.6142 300.0926 -161538.7571 -108951.7869 299.5985 32.1202 61.7947 761109.2951 -5.4680 -5.4652 PRESSURE: 1557000 12.3904 36.6929 -50.9425 36.692 -172.667 62.7419 -50.9438 62.7415 158.048 GPRESSURE: 1557000 18.7899 22.7001 -94.8981 125.656 -172.374 120.43 109.83 66.2954 217.56 PRESSAVG: 1557000 -36.6031 5.78715 -25.3416 5.78711 7.10951 29.316 -25.3416 29.3159 -7.03188 GPRESSAVG: 1557000 -36.6853 8.07014 -24.6658 3.36918 6.72713 28.0457 -23.1464 29.8456 -6.60339 TIMING: 1557000 CPU: 4921.93, 0.00312934/step Wall: 4921.93, 0.00312934/step, 2.99287 hours remaining, 235.855469 MB of memory in use. ENERGY: 1557000 3926.7352 20510.3642 14499.4364 250.3079 -203464.6606 2732.1262 0.0000 0.0000 52159.3103 -109386.3804 299.7603 -161545.6908 -109019.0915 299.5327 -0.7429 21.3252 760958.3631 -12.1751 -12.1872 PRESSURE: 1557200 18.4911 -139.3 53.1315 -139.301 19.2158 33.9048 53.1307 33.9049 -91.3957 GPRESSURE: 1557200 2.89055 -20.6532 59.4021 -145.854 107.56 -29.1982 133.372 60.7577 -98.2508 PRESSAVG: 1557200 -12.1724 28.7418 -18.7266 28.7419 21.5895 15.6762 -18.7266 15.6761 17.0933 GPRESSAVG: 1557200 -12.3736 29.6086 -18.5088 27.7268 20.932 16.7294 -21.3536 14.816 17.7473 TIMING: 1557200 CPU: 4922.56, 0.00317453/step Wall: 4922.56, 0.00317453/step, 3.03591 hours remaining, 235.855469 MB of memory in use. ENERGY: 1557200 3928.8995 20542.0165 14476.8055 232.4234 -203152.3536 2485.0884 0.0000 0.0000 52045.6791 -109441.4412 299.1072 -161487.1203 -109087.4076 298.9710 -17.8963 4.0665 762198.8616 8.8368 8.7686 PRESSURE: 1557400 -80.618 1.73791 -184.097 1.73825 45.6533 -413.188 -184.097 -413.187 95.0067 GPRESSURE: 1557400 -18.5217 -23.7575 -138.017 24.1541 52.2768 -530.317 -210.713 -390.822 108.91 PRESSAVG: 1557400 -10.2098 6.08813 0.196988 6.08814 33.028 -26.7429 0.196961 -26.7429 -10.5194 GPRESSAVG: 1557400 -10.1409 4.87197 -1.35924 6.30626 34.1422 -27.0299 1.21808 -26.9276 -11.5036 TIMING: 1557400 CPU: 4923.2, 0.00318154/step Wall: 4923.2, 0.00318154/step, 3.04244 hours remaining, 235.855469 MB of memory in use. ENERGY: 1557400 3967.1690 20307.0560 14499.5802 260.2558 -203318.3171 2735.5218 0.0000 0.0000 51918.6397 -109630.0946 298.3771 -161548.7343 -109268.4160 298.4317 20.0140 47.5552 763115.5291 4.0996 4.1659 PRESSURE: 1557600 -545.63 81.2912 67.3319 81.2905 -526.845 96.2776 67.3321 96.2777 3.42088 GPRESSURE: 1557600 -515.711 -52.799 98.7775 71.6225 -502.504 91.9946 25.8837 47.6113 37.8376 PRESSAVG: 1557600 18.5864 21.0925 -40.1202 21.0925 -8.38692 -67.7835 -40.1202 -67.7835 -8.63617 GPRESSAVG: 1557600 19.8008 19.6205 -39.9953 21.931 -9.89854 -66.3132 -39.3813 -68.813 -8.32816 TIMING: 1557600 CPU: 4923.84, 0.0031911/step Wall: 4923.84, 0.0031911/step, 3.0514 hours remaining, 235.871094 MB of memory in use. ENERGY: 1557600 3904.7874 20315.4743 14461.7869 241.8643 -203203.2083 2675.1699 0.0000 0.0000 51898.0431 -109706.0824 298.2588 -161604.1255 -109346.8476 298.2141 -356.3517 -326.7925 762337.0020 0.5211 0.5247 PRESSURE: 1557800 -90.6338 39.5659 -113.133 39.5652 29.6609 -3.49008 -113.133 -3.49104 -283.865 GPRESSURE: 1557800 -74.9298 153.12 -111.92 91.8211 8.99061 -12.106 -94.2712 -5.38898 -182.12 PRESSAVG: 1557800 -22.1253 -12.4275 -63.2852 -12.4276 -11.7229 -2.53043 -63.2852 -2.53036 1.82309 GPRESSAVG: 1557800 -23.1321 -10.7583 -62.6284 -13.7984 -10.7018 -3.23511 -62.5592 -2.31199 1.04752 TIMING: 1557800 CPU: 4924.47, 0.00317519/step Wall: 4924.47, 0.00317519/step, 3.03601 hours remaining, 235.871094 MB of memory in use. ENERGY: 1557800 3995.0782 20435.4662 14507.6705 247.0137 -203300.8179 2513.3481 0.0000 0.0000 52101.3140 -109500.9273 299.4270 -161602.2413 -109132.9102 298.4268 -114.9459 -82.6863 763678.8613 -10.6751 -10.9288 PRESSURE: 1558000 106.239 -5.56983 166.107 -5.57018 -237.717 292.608 166.106 292.606 226.291 GPRESSURE: 1558000 109.901 67.426 241.896 66.5347 -160.293 334.935 134.363 189.804 203.897 PRESSAVG: 1558000 10.2011 -11.0784 -33.0161 -11.0784 -15.2838 -28.1675 -33.0161 -28.1675 12.2586 GPRESSAVG: 1558000 9.4849 -8.80035 -32.0919 -9.43239 -15.608 -27.5259 -35.597 -28.1603 13.0504 TIMING: 1558000 CPU: 4925.11, 0.00315989/step Wall: 4925.11, 0.00315989/step, 3.0212 hours remaining, 235.871094 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: 1558000 3966.5613 20418.3975 14513.3604 260.6857 -202786.9979 2386.6363 0.0000 0.0000 52104.4721 -109136.8847 299.4451 -161241.3568 -108768.0842 299.4885 31.6042 51.1682 762948.8907 2.3920 2.3091 PRESSURE: 1558200 -46.4062 108.615 -204.456 108.616 308.116 -6.14808 -204.456 -6.14867 35.6093 GPRESSURE: 1558200 10.3478 146.938 -201.14 115.551 345.49 42.4384 -104.298 -72.0168 25.3974 PRESSAVG: 1558200 -22.1759 10.7779 14.3641 10.7779 -26.6664 7.82218 14.3641 7.82221 -24.948 GPRESSAVG: 1558200 -21.5074 10.4075 13.4634 10.8765 -25.6814 6.13375 16.6965 8.72832 -26.7467 TIMING: 1558200 CPU: 4925.74, 0.0031506/step Wall: 4925.74, 0.0031506/step, 3.01215 hours remaining, 235.871094 MB of memory in use. ENERGY: 1558200 4006.7850 20506.8487 14500.6272 250.0381 -202612.5285 2486.8591 0.0000 0.0000 51796.2457 -109065.1247 297.6737 -160861.3704 -108714.2339 299.2713 99.1063 127.0784 762554.1891 -24.5968 -24.6452 PRESSURE: 1558400 -68.1565 73.9056 90.4987 73.9064 181.975 149.285 90.4992 149.285 437.627 GPRESSURE: 1558400 79.0381 8.69669 142.884 53.7901 134.756 110.857 139.906 168.066 411.356 PRESSAVG: 1558400 42.8286 -17.6822 11.6188 -17.6822 -39.486 -41.6903 11.6188 -41.6903 8.99342 GPRESSAVG: 1558400 43.5957 -19.4103 11.9281 -16.8944 -41.1107 -40.2221 11.8003 -41.6041 9.61194 TIMING: 1558400 CPU: 4926.37, 0.00317181/step Wall: 4926.37, 0.00317181/step, 3.03225 hours remaining, 235.871094 MB of memory in use. ENERGY: 1558400 3983.4981 20503.2567 14524.5145 229.2580 -203003.8749 2427.0588 0.0000 0.0000 52171.5321 -109164.7567 299.8305 -161336.2888 -108802.4245 299.2905 183.8153 208.3834 762902.5775 4.1120 4.0323 PRESSURE: 1558600 13.1452 -156.386 -101.547 -156.387 -72.9718 167.572 -101.546 167.572 305.324 GPRESSURE: 1558600 95.763 -170.888 -127.928 -126.069 -4.06113 87.3796 -106.714 153.839 236.46 PRESSAVG: 1558600 33.0262 -50.7546 -33.3022 -50.7546 -34.8392 -4.60993 -33.3022 -4.60997 -12.9882 GPRESSAVG: 1558600 32.1661 -50.3334 -32.6591 -52.1561 -34.4113 -4.95848 -33.7834 -3.7345 -12.8124 TIMING: 1558600 CPU: 4927.01, 0.00317327/step Wall: 4927.01, 0.00317327/step, 3.03347 hours remaining, 235.871094 MB of memory in use. ENERGY: 1558600 3961.7405 20494.4679 14488.1262 240.1140 -202893.1488 2402.0430 0.0000 0.0000 52242.8554 -109063.8018 300.2404 -161306.6572 -108701.0200 299.4465 81.8324 109.3873 763209.8119 -4.9337 -5.0192 PRESSURE: 1558800 186.978 145.587 -332.931 145.588 595.103 20.4077 -332.93 20.4076 15.8292 GPRESSURE: 1558800 243.655 2.42862 -311.889 135.31 509.803 2.42348 -202.637 -93.7069 140.23 PRESSAVG: 1558800 -42.9943 11.534 -29.1973 11.534 35.1167 9.00065 -29.1973 9.00064 21.1533 GPRESSAVG: 1558800 -43.9163 10.7355 -30.365 13.1119 34.9399 8.21316 -30.6082 5.67175 22.1863 TIMING: 1558800 CPU: 4927.64, 0.00316613/step Wall: 4927.64, 0.00316613/step, 3.02647 hours remaining, 235.871094 MB of memory in use. ENERGY: 1558800 3906.0002 20417.9872 14535.2683 251.5169 -202991.5563 2629.0765 0.0000 0.0000 51957.6832 -109294.0240 298.6015 -161251.7072 -108938.2207 299.3050 265.9702 297.8962 762338.5629 4.4253 4.4033 PRESSURE: 1559000 3.97038 -171.553 -56.0666 -171.553 -240.116 153.926 -56.0667 153.926 -286.48 GPRESSURE: 1559000 58.2589 -103.558 -102.183 -13.6123 -161.088 192.752 -179.406 128.333 -331.145 PRESSAVG: 1559000 -49.0707 -61.8158 -30.7801 -61.8158 36.8169 -55.11 -30.7801 -55.11 12.4841 GPRESSAVG: 1559000 -47.8894 -60.158 -29.057 -63.3878 37.7784 -53.4338 -30.5967 -54.0654 10.4326 TIMING: 1559000 CPU: 4928.27, 0.00316865/step Wall: 4928.27, 0.00316865/step, 3.0287 hours remaining, 235.871094 MB of memory in use. ENERGY: 1559000 3883.5438 20432.0685 14503.2257 253.6914 -202560.5602 2184.3054 0.0000 0.0000 51972.0794 -109331.6461 298.6843 -161303.7254 -108969.8475 299.0941 -174.2084 -144.6580 763015.8590 0.0768 0.1072 PRESSURE: 1559200 -224.534 -167.555 -12.7807 -167.555 -26.0172 -44.5379 -12.7811 -44.5376 126.185 GPRESSURE: 1559200 -190.368 -84.0202 -40.8783 -199.731 -37.256 21.1094 -80.7818 -92.0161 190.217 PRESSAVG: 1559200 -53.3832 -72.8233 -28.4076 -72.8234 44.6191 -14.7971 -28.4076 -14.797 -3.00085 GPRESSAVG: 1559200 -54.3943 -72.6765 -29.0657 -72.3619 43.9775 -15.901 -29.3926 -15.1658 -1.27525 TIMING: 1559200 CPU: 4928.91, 0.00319058/step Wall: 4928.91, 0.00319058/step, 3.04948 hours remaining, 235.871094 MB of memory in use. ENERGY: 1559200 3885.6816 20354.2381 14521.8148 227.8523 -203181.5813 2790.3093 0.0000 0.0000 51872.1315 -109529.5537 298.1099 -161401.6851 -109165.9620 298.2414 -41.4557 -12.4692 761280.3734 -3.9217 -3.8974 PRESSURE: 1559400 66.0003 178.913 22.4705 178.913 315.716 284.11 22.47 284.11 -248.787 GPRESSURE: 1559400 135.33 150.664 -31.7463 194.616 331.273 267.791 -21.7906 261.667 -255.325 PRESSAVG: 1559400 -24.4487 -18.1556 -0.929016 -18.1556 16.9381 -12.749 -0.929039 -12.749 1.8578 GPRESSAVG: 1559400 -23.3863 -19.5006 -1.06927 -16.9217 16.4031 -13.8852 0.504597 -10.4168 1.66608 TIMING: 1559400 CPU: 4929.54, 0.00317193/step Wall: 4929.54, 0.00317193/step, 3.03148 hours remaining, 235.871094 MB of memory in use. ENERGY: 1559400 4000.9415 20474.6525 14525.8643 229.1513 -203503.3308 2844.5387 0.0000 0.0000 51653.2370 -109774.9455 296.8519 -161428.1825 -109418.8775 298.4323 44.3098 70.4261 761092.3466 -1.8843 -1.7724 PRESSURE: 1559600 -457.266 -24.3615 -178.178 -24.3612 -568.334 63.1819 -178.178 63.1823 -133.335 GPRESSURE: 1559600 -517.815 -169.798 -171.422 -24.0321 -466.553 -7.48456 -149.557 25.3861 -90.8335 PRESSAVG: 1559600 -20.6697 -15.7348 -21.2423 -15.7348 32.025 22.0333 -21.2423 22.0332 -10.9992 GPRESSAVG: 1559600 -20.9134 -16.5093 -21.066 -16.0309 33.0162 23.8143 -22.1304 18.055 -11.7909 TIMING: 1559600 CPU: 4930.18, 0.00316521/step Wall: 4930.18, 0.00316521/step, 3.02489 hours remaining, 235.871094 MB of memory in use. ENERGY: 1559600 4032.7077 20377.4540 14453.0471 242.1115 -202928.4044 2452.1088 0.0000 0.0000 51744.6709 -109626.3044 297.3773 -161370.9753 -109263.0418 298.2956 -386.3114 -358.4004 762694.9198 0.1187 0.1040 PRESSURE: 1559800 -246.651 -25.8432 46.4283 -25.8424 -43.6834 -12.284 46.4277 -12.2838 -211.82 GPRESSURE: 1559800 -158.073 21.5286 -19.1446 -34.2614 6.67103 15.913 12.6951 -104.533 -271.295 PRESSAVG: 1559800 -48.0184 -73.0631 4.23298 -73.0631 42.6252 4.50442 4.23291 4.50433 -5.86192 GPRESSAVG: 1559800 -48.3586 -71.4972 3.0927 -74.9369 43.2365 3.6745 5.27722 7.614 -6.79839 TIMING: 1559800 CPU: 4930.81, 0.00317907/step Wall: 4930.81, 0.00317907/step, 3.03796 hours remaining, 235.871094 MB of memory in use. ENERGY: 1559800 3948.7205 20473.7363 14455.1153 258.3287 -202701.9639 2345.0252 0.0000 0.0000 51663.3930 -109557.6449 296.9102 -161221.0378 -109206.2425 298.2288 -167.3847 -140.8991 761385.6123 -3.7517 -3.9735 PRESSURE: 1560000 -46.8466 -220.212 104.337 -220.211 91.4727 -71.9802 104.337 -71.98 270.453 GPRESSURE: 1560000 -30.4191 -213.336 33.4219 -119.641 146.866 -100.3 45.8556 -72.6899 282.879 PRESSAVG: 1560000 5.94147 -69.28 -44.0395 -69.28 5.08391 30.4815 -44.0394 30.4816 -6.31371 GPRESSAVG: 1560000 6.21768 -71.2961 -43.9082 -66.914 4.51424 29.0434 -42.966 31.2804 -5.81203 TIMING: 1560000 CPU: 4931.45, 0.00317063/step Wall: 4931.45, 0.00317063/step, 3.02972 hours remaining, 235.871094 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: 1560000 3894.2086 20216.5873 14509.8548 234.7351 -203381.4238 2948.2056 0.0000 0.0000 52048.6149 -109529.2176 299.1241 -161577.8325 -109159.2268 298.1269 105.0265 133.1087 762580.9075 1.5706 1.6400 PRESSURE: 1560200 -112.982 24.5437 -99.1314 24.5443 155.886 -166.079 -99.1316 -166.08 339.503 GPRESSURE: 1560200 -41.432 -45.2523 -38.3211 -80.2586 250.873 -133.501 -129.114 -38.3432 294.877 PRESSAVG: 1560200 -33.2951 -30.3227 -17.8388 -30.3227 27.2 19.7652 -17.8388 19.7652 -7.35713 GPRESSAVG: 1560200 -33.6623 -30.366 -17.379 -30.0408 27.9887 20.8898 -20.5721 16.6264 -7.92236 TIMING: 1560200 CPU: 4932.08, 0.00315195/step Wall: 4932.08, 0.00315195/step, 3.01169 hours remaining, 235.871094 MB of memory in use. ENERGY: 1560200 3875.7394 20494.0622 14487.1091 254.6228 -203372.8270 2810.8649 0.0000 0.0000 51879.0086 -109571.4200 298.1494 -161450.4286 -109231.5170 298.7253 127.4688 168.1060 761583.3990 -4.4841 -4.5320 LDB: ============= START OF LOAD BALANCING ============== 4944.61 LDB: ============== END OF LOAD BALANCING =============== 4944.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4944.61 LDB: ============= START OF LOAD BALANCING ============== 4944.93 LDB: Largest compute 7037 load 0.032099 is 16.4% of average load 0.195468 LDB: Average compute 0.004374 is 2.2% of average load 0.195468 LDB: TIME 4944.93 LOAD: AVG 0.195468 MAX 0.213833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.566 MB LDB: TIME 4944.93 LOAD: AVG 0.195468 MAX 0.213833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.574 MB LDB: TIME 4944.93 LOAD: AVG 0.195468 MAX 0.213833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.574 MB LDB: ============== END OF LOAD BALANCING =============== 4944.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4944.94 PRESSURE: 1560400 49.2712 -16.4011 163.54 -16.4014 -144.938 -51.4298 163.54 -51.4303 386.85 GPRESSURE: 1560400 190.228 -123.593 124.842 -22.6387 -175.721 8.72095 191.461 70.174 383.971 PRESSAVG: 1560400 -2.45931 3.0013 4.71711 3.00131 18.5787 7.29011 4.71707 7.29016 -3.77906 GPRESSAVG: 1560400 -2.29198 1.9927 4.46067 1.34359 17.8752 8.93797 7.18526 7.54975 -2.6844 TIMING: 1560400 CPU: 4932.72, 0.00323382/step Wall: 4932.72, 0.00323382/step, 3.08974 hours remaining, 235.515625 MB of memory in use. ENERGY: 1560400 3914.2178 20333.4164 14573.4461 256.7543 -203166.3647 2615.4593 0.0000 0.0000 51842.9309 -109630.1399 297.9420 -161473.0708 -109268.4675 297.5686 97.0611 132.8260 761962.5309 4.1134 4.2996 PRESSURE: 1560600 87.8756 -30.9599 138.178 -30.9598 78.7637 -91.6918 138.178 -91.6915 -461.037 GPRESSURE: 1560600 133.547 -82.8902 88.6679 87.7532 55.2676 -129.556 109.947 -92.5857 -420.896 PRESSAVG: 1560600 22.5964 -12.3028 9.21482 -12.3029 -10.542 -21.9235 9.2148 -21.9235 12.4277 GPRESSAVG: 1560600 22.8006 -10.4665 8.57001 -13.056 -10.9356 -24.446 9.11373 -19.199 12.0789 TIMING: 1560600 CPU: 4933.36, 0.00317617/step Wall: 4933.36, 0.00317617/step, 3.03447 hours remaining, 235.515625 MB of memory in use. ENERGY: 1560600 4036.6680 20501.9279 14506.0290 247.4008 -203337.9579 2742.1953 0.0000 0.0000 51679.5739 -109624.1629 297.0032 -161303.7368 -109273.4452 297.7721 -98.1327 -77.3605 763116.2205 8.1607 7.9813 PRESSURE: 1560800 -28.5405 -94.6508 -43.6704 -94.6505 111.982 10.61 -43.6705 10.6105 218.884 GPRESSURE: 1560800 -28.9641 -181.444 18.7316 -97.0153 160.032 72.459 130.139 -40.4453 249.725 PRESSAVG: 1560800 4.05273 -72.1478 10.9398 -72.1478 5.64903 -31.8124 10.9398 -31.8123 -41.6305 GPRESSAVG: 1560800 4.05018 -72.8801 10.8987 -70.7159 5.48844 -31.3388 11.6024 -33.2575 -41.6673 TIMING: 1560800 CPU: 4933.99, 0.00313807/step Wall: 4933.99, 0.00313807/step, 2.9979 hours remaining, 235.515625 MB of memory in use. ENERGY: 1560800 4020.4731 20361.9584 14505.6785 259.0110 -203742.3157 3018.6274 0.0000 0.0000 52102.5001 -109474.0672 299.4338 -161576.5674 -109124.7634 298.3937 100.7750 126.9310 760581.1502 -10.6429 -10.7095 PRESSURE: 1561000 -0.817901 -41.3739 98.6135 -41.373 256.358 -10.3469 98.6125 -10.3468 -51.8175 GPRESSURE: 1561000 -6.62241 76.081 33.2946 -13.0283 290.822 36.2001 -31.6322 -12.8726 26.3427 PRESSAVG: 1561000 -55.977 12.381 35.8076 12.3809 83.5578 -33.5487 35.8076 -33.5487 1.70831 GPRESSAVG: 1561000 -56.3164 11.9207 35.4534 9.71322 84.8248 -33.3503 33.9463 -35.3737 0.80764 TIMING: 1561000 CPU: 4934.62, 0.00314812/step Wall: 4934.62, 0.00314812/step, 3.00733 hours remaining, 235.515625 MB of memory in use. ENERGY: 1561000 3931.9963 20328.4116 14434.6541 257.3210 -203572.2286 2968.8223 0.0000 0.0000 52056.3321 -109594.6913 299.1685 -161651.0234 -109221.9522 298.7660 67.9074 103.5142 761300.1781 9.7631 9.7720 PRESSURE: 1561200 19.8994 11.6032 54.7408 11.6028 -112.478 -1.09917 54.7404 -1.09866 -253.546 GPRESSURE: 1561200 38.4307 97.665 90.4889 115.18 0.444393 -10.0701 -38.8399 15.1871 -286.653 PRESSAVG: 1561200 -35.1184 24.4682 18.6075 24.4682 14.0884 8.88302 18.6075 8.88301 4.0178 GPRESSAVG: 1561200 -35.0285 25.5417 19.5654 25.6851 14.8033 9.68749 18.5375 11.808 3.48339 TIMING: 1561200 CPU: 4935.25, 0.00314835/step Wall: 4935.25, 0.00314835/step, 3.00737 hours remaining, 235.515625 MB of memory in use. ENERGY: 1561200 4007.8807 20363.0168 14443.8923 248.9731 -203067.0704 2541.6949 0.0000 0.0000 52022.2529 -109439.3597 298.9726 -161461.6126 -109073.8532 298.7141 -115.3750 -82.5925 761757.8896 -5.6707 -5.5806 PRESSURE: 1561400 -111.515 334.581 48.2846 334.58 -169.592 52.4691 48.2848 52.4701 -106.362 GPRESSURE: 1561400 -83.3305 328.286 114.701 295.003 -56.0143 55.5449 201.855 -2.67829 -154.95 PRESSAVG: 1561400 4.76669 -2.66369 61.8277 -2.66369 7.54236 4.85554 61.8276 4.85561 1.00422 GPRESSAVG: 1561400 4.12135 -2.11126 61.4843 -4.46212 6.76505 5.99619 63.2246 1.9922 2.13383 TIMING: 1561400 CPU: 4935.88, 0.00314569/step Wall: 4935.88, 0.00314569/step, 3.00465 hours remaining, 235.515625 MB of memory in use. ENERGY: 1561400 3987.0402 20401.6061 14489.5528 244.4505 -203023.4342 2605.3257 0.0000 0.0000 51843.8811 -109451.5777 297.9475 -161295.4588 -109096.4085 298.5679 -129.1564 -98.0981 764235.1528 4.4378 4.3401 PRESSURE: 1561600 74.7713 -0.683082 -154.498 -0.6834 38.0922 -175.699 -154.497 -175.698 -177.557 GPRESSURE: 1561600 210.146 124.21 -119.495 7.34061 -38.2519 -132.988 -133.543 -165.616 -168.501 PRESSAVG: 1561600 -9.2331 49.7378 -0.213516 49.7377 15.9233 18.9377 -0.21348 18.9376 -0.712376 GPRESSAVG: 1561600 -7.41508 48.2701 -0.00711717 51.6449 14.9668 15.9378 -0.722767 20.8371 -1.70259 TIMING: 1561600 CPU: 4936.51, 0.00316097/step Wall: 4936.51, 0.00316097/step, 3.01907 hours remaining, 235.515625 MB of memory in use. ENERGY: 1561600 3996.7170 20360.3686 14501.7104 254.8705 -202976.3080 2678.2613 0.0000 0.0000 51692.5596 -109491.8207 297.0779 -161184.3804 -109143.5226 298.3325 -21.5644 1.1310 763343.3256 1.9926 1.9497 PRESSURE: 1561800 -131.783 -210.709 78.0798 -210.709 -272.631 216.916 78.0794 216.916 -373.503 GPRESSURE: 1561800 -104.148 -63.2508 87.7024 -170.157 -235.665 195.761 -24.4244 119.601 -353.039 PRESSAVG: 1561800 37.5555 13.971 33.8541 13.9709 -66.9081 26.9157 33.8541 26.9158 3.31204 GPRESSAVG: 1561800 37.2824 13.9238 32.7951 15.2999 -67.1465 27.1549 33.1368 26.4759 4.15297 TIMING: 1561800 CPU: 4937.14, 0.00314505/step Wall: 4937.14, 0.00314505/step, 3.0037 hours remaining, 235.515625 MB of memory in use. ENERGY: 1561800 3965.2030 20338.6559 14491.5569 226.4889 -203021.3470 2563.3277 0.0000 0.0000 51856.1144 -109580.0002 298.0178 -161436.1147 -109228.3669 298.0705 -259.3057 -230.9507 761605.7709 -8.6802 -8.5704 PRESSURE: 1562000 160.916 116.961 -72.1158 116.961 -51.1357 -189.125 -72.1163 -189.126 351.716 GPRESSURE: 1562000 257.937 153.929 -89.6826 111.273 -69.6807 -212.197 -163.737 -186.546 361.96 PRESSAVG: 1562000 37.6777 -9.44948 0.0591604 -9.44947 -0.386859 -3.04103 0.0591909 -3.04113 -14.3026 GPRESSAVG: 1562000 37.2934 -9.62056 1.52268 -10.8051 -0.0352561 -4.39925 -0.0551137 -1.14853 -14.2675 TIMING: 1562000 CPU: 4937.77, 0.0031446/step Wall: 4937.77, 0.0031446/step, 3.00309 hours remaining, 235.515625 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: 1562000 3942.7997 20385.4406 14534.9668 255.8034 -203880.5771 3077.6880 0.0000 0.0000 52081.0857 -109602.7929 299.3107 -161683.8786 -109247.2837 298.8695 153.8321 183.4056 761248.1852 7.6627 7.6635 PRESSURE: 1562200 265.191 -199.833 -137.8 -199.834 458.798 -264.814 -137.799 -264.814 -124.108 GPRESSURE: 1562200 319.351 -43.5857 -168.077 -221.522 465.325 -294.415 -11.8241 -271.784 -107.733 PRESSAVG: 1562200 4.49421 -14.6926 7.55372 -14.6926 3.44522 -44.9789 7.55381 -44.9788 23.9422 GPRESSAVG: 1562200 4.28599 -14.0886 8.24353 -14.8908 2.00412 -45.4408 5.53876 -43.3846 25.1398 TIMING: 1562200 CPU: 4938.4, 0.00314808/step Wall: 4938.4, 0.00314808/step, 3.00624 hours remaining, 235.515625 MB of memory in use. ENERGY: 1562200 3978.8663 20329.6817 14514.5272 250.4751 -203747.1566 2966.4570 0.0000 0.0000 51969.0660 -109738.0833 298.6669 -161707.1493 -109378.8197 298.4729 199.9604 225.6474 759554.5819 10.6272 10.4766 PRESSURE: 1562400 -244.897 -85.285 12.0677 -85.2851 -254.21 57.0476 12.0681 57.0481 -123.973 GPRESSURE: 1562400 -225.046 -36.5096 -45.1921 25.3569 -171.733 121.395 -22.7364 -30.9482 -123.11 PRESSAVG: 1562400 0.630716 -28.7204 8.06098 -28.7204 -13.6841 -21.5233 8.06099 -21.5233 10.4212 GPRESSAVG: 1562400 2.07552 -29.3587 7.83591 -27.944 -13.8335 -20.0227 7.45374 -23.5555 8.95686 TIMING: 1562400 CPU: 4939.03, 0.00314978/step Wall: 4939.03, 0.00314978/step, 3.00769 hours remaining, 235.515625 MB of memory in use. ENERGY: 1562400 4045.7775 20424.1486 14487.3200 261.8906 -203286.4297 2806.1320 0.0000 0.0000 51700.1258 -109561.0353 297.1213 -161261.1611 -109205.8272 298.4446 -207.6935 -173.2966 761620.4346 -0.8774 -0.9337 PRESSURE: 1562600 -312.022 96.1581 257.114 96.157 -21.7949 98.6182 257.114 98.6181 32.6833 GPRESSURE: 1562600 -243.104 137.269 207.17 119.385 4.2944 157.214 217.149 203.037 13.0362 PRESSAVG: 1562600 7.95087 34.0685 -14.8649 34.0685 -14.974 37.9841 -14.8649 37.9841 9.68876 GPRESSAVG: 1562600 6.2103 35.3331 -14.8399 35.4035 -14.3655 38.653 -13.0994 37.0603 10.4933 TIMING: 1562600 CPU: 4939.66, 0.00319417/step Wall: 4939.66, 0.00319417/step, 3.0499 hours remaining, 235.515625 MB of memory in use. ENERGY: 1562600 4062.2525 20320.2858 14552.0224 255.0527 -203333.7103 2599.1366 0.0000 0.0000 52072.2159 -109472.7443 299.2597 -161544.9602 -109107.3783 298.8973 -100.3778 -75.2579 761733.9803 0.8886 0.7794 PRESSURE: 1562800 259.95 -253.86 -249.746 -253.86 -37.2152 259.643 -249.746 259.643 344.7 GPRESSURE: 1562800 269.529 -226.213 -276.382 -260.036 46.36 272.412 -174.724 113.931 357.76 PRESSAVG: 1562800 12.2188 25.1259 -42.6735 25.1259 11.2073 -13.0497 -42.6734 -13.0497 -3.70959 GPRESSAVG: 1562800 12.2227 23.2759 -45.2004 24.3346 10.9737 -12.2878 -42.0772 -14.3315 -3.04715 TIMING: 1562800 CPU: 4940.3, 0.00320066/step Wall: 4940.3, 0.00320066/step, 3.05592 hours remaining, 235.515625 MB of memory in use. ENERGY: 1562800 4058.9523 20354.5745 14497.5746 258.4320 -203381.5626 2710.6403 0.0000 0.0000 52148.3223 -109353.0666 299.6971 -161501.3889 -108987.4225 299.0556 189.1450 224.5496 761371.1939 6.5722 6.7164 PRESSURE: 1563000 18.7967 155.457 182.633 155.457 450.942 -232.262 182.633 -232.26 456.045 GPRESSURE: 1563000 113.315 61.7537 242.374 143.887 412.585 -148.772 131.425 -126.71 471.927 PRESSAVG: 1563000 -55.2331 -28.2167 -34.6295 -28.2166 17.5199 18.9668 -34.6294 18.9669 -2.76061 GPRESSAVG: 1563000 -55.1393 -26.5518 -31.6814 -28.8778 18.0659 17.4543 -34.1454 21.1459 -3.46082 TIMING: 1563000 CPU: 4940.94, 0.00317305/step Wall: 4940.94, 0.00317305/step, 3.02938 hours remaining, 235.515625 MB of memory in use. ENERGY: 1563000 3970.5511 20457.0551 14532.1775 260.3327 -203532.6576 2811.5899 0.0000 0.0000 52227.0164 -109273.9348 300.1494 -161500.9513 -108912.4123 299.1016 308.5949 332.6091 760874.3442 -13.4913 -13.5114 PRESSURE: 1563200 -55.1355 99.0647 -17.1336 99.0645 -177.305 -37.7926 -17.134 -37.7933 -145.364 GPRESSURE: 1563200 50.2712 31.4129 -10.1269 86.9546 -113.214 48.6459 -35.8141 -130.312 -217.207 PRESSAVG: 1563200 47.9523 -15.8746 -1.63439 -15.8747 -23.7873 22.4578 -1.63434 22.4577 -11.469 GPRESSAVG: 1563200 49.2945 -19.3909 -2.82549 -13.9873 -24.5074 23.6247 -3.39232 22.3291 -11.9012 TIMING: 1563200 CPU: 4941.58, 0.0031829/step Wall: 4941.58, 0.0031829/step, 3.03861 hours remaining, 235.515625 MB of memory in use. ENERGY: 1563200 4054.2310 20386.5639 14487.3326 271.3312 -203130.9545 2599.3501 0.0000 0.0000 52031.2767 -109300.8690 299.0245 -161332.1456 -108938.5477 299.2199 -125.9348 -93.3834 763050.3040 4.2320 4.2953 PRESSURE: 1563400 125.178 -93.8873 24.4532 -93.8873 -28.4064 136.775 24.453 136.775 107.911 GPRESSURE: 1563400 128.138 -232.537 62.6785 -75.326 42.2801 137.002 -52.7691 116.956 116.463 PRESSAVG: 1563400 92.9204 -2.07342 -3.87116 -2.07336 -80.2479 20.3215 -3.87116 20.3214 9.30277 GPRESSAVG: 1563400 92.077 0.177516 -2.72375 -3.7052 -79.3929 20.9128 -3.82928 19.401 9.48198 TIMING: 1563400 CPU: 4942.22, 0.00319481/step Wall: 4942.22, 0.00319481/step, 3.0498 hours remaining, 235.515625 MB of memory in use. ENERGY: 1563400 4027.3036 20450.8377 14425.1842 248.3731 -203373.7817 2605.8560 0.0000 0.0000 52100.7318 -109515.4954 299.4236 -161616.2272 -109153.5604 298.7444 68.2276 95.6272 761186.5603 7.3251 7.3887 PRESSURE: 1563600 66.2576 -24.6986 -16.4864 -24.6984 154.059 98.9717 -16.4868 98.9725 410.694 GPRESSURE: 1563600 103.781 -124.745 -80.8477 -52.888 170.225 112.872 54.3645 -8.66515 433.877 PRESSAVG: 1563600 4.83223 8.00259 -43.1937 8.00258 -18.6818 40.6613 -43.1937 40.6613 4.33106 GPRESSAVG: 1563600 5.05398 7.09881 -43.1541 8.48663 -19.0099 38.3957 -41.7864 40.6368 3.67911 TIMING: 1563600 CPU: 4942.85, 0.00318658/step Wall: 4942.85, 0.00318658/step, 3.04176 hours remaining, 235.515625 MB of memory in use. ENERGY: 1563600 3942.5633 20377.9053 14525.4933 278.7557 -203886.9415 2989.3307 0.0000 0.0000 51949.7518 -109823.1415 298.5559 -161772.8933 -109457.5615 298.0482 210.3369 235.9609 761401.6753 -3.1728 -3.4256 PRESSURE: 1563800 -268.022 -145.114 -183.96 -145.114 -30.3392 -95.9526 -183.959 -95.953 7.33506 GPRESSURE: 1563800 -188.034 -140.181 -114.948 -61.5443 -24.7398 -47.006 -159.041 -213.427 18.755 PRESSAVG: 1563800 34.4685 18.8835 -27.8868 18.8835 -51.9966 -5.73082 -27.8867 -5.73069 10.7596 GPRESSAVG: 1563800 34.569 19.0241 -28.3453 19.3968 -51.4959 -2.05373 -31.1158 -6.26127 10.5362 TIMING: 1563800 CPU: 4943.49, 0.0031858/step Wall: 4943.49, 0.0031858/step, 3.04085 hours remaining, 235.515625 MB of memory in use. ENERGY: 1563800 3963.3207 20399.3873 14528.5225 229.8293 -203566.4263 2772.4468 0.0000 0.0000 52060.8637 -109612.0560 299.1945 -161672.9197 -109240.6081 298.6853 -97.0088 -64.6729 762675.4587 -2.2562 -2.1302 PRESSURE: 1564000 -50.6123 15.2356 -97.2881 15.2348 -36.1523 -230.161 -97.2879 -230.162 -124.001 GPRESSURE: 1564000 -0.0491103 15.6009 -32.8502 129.183 -10.0052 -186.674 -167.501 -143.61 -120.224 PRESSAVG: 1564000 -37.8592 15.7518 -2.87771 15.7518 99.7756 -3.27625 -2.87771 -3.27625 -7.26767 GPRESSAVG: 1564000 -37.5111 16.5226 -2.67439 14.2681 99.1266 -5.39617 -1.17992 -2.03646 -7.07203 TIMING: 1564000 CPU: 4944.13, 0.00318546/step Wall: 4944.13, 0.00318546/step, 3.04035 hours remaining, 235.515625 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: 1564000 3977.4401 20322.1088 14477.1901 234.4887 -203255.9251 2638.2322 0.0000 0.0000 52164.5474 -109441.9179 299.7904 -161606.4653 -109070.3590 298.7987 -70.2550 -43.4260 764316.8042 18.2162 18.1811 PRESSURE: 1564200 -344.211 -96.6494 -234.423 -96.6495 185.04 -70.3473 -234.422 -70.3476 -149.218 GPRESSURE: 1564200 -333.057 -132.281 -148.719 -68.5067 293.477 -43.6911 -223.095 -13.9492 -153.632 PRESSAVG: 1564200 7.70152 52.2869 -32.3901 52.2869 -7.11902 17.059 -32.3902 17.059 -7.63427 GPRESSAVG: 1564200 7.57911 53.5964 -31.2044 50.9933 -7.36448 18.5871 -31.9699 18.477 -7.14602 TIMING: 1564200 CPU: 4944.76, 0.00316129/step Wall: 4944.76, 0.00316129/step, 3.0171 hours remaining, 235.515625 MB of memory in use. ENERGY: 1564200 3958.1943 20455.5274 14596.4374 248.0268 -203723.1096 2809.9035 0.0000 0.0000 52008.9298 -109646.0904 298.8960 -161655.0202 -109287.0682 298.4715 -102.7961 -64.4040 763199.7895 -2.3506 -2.3105 LDB: ============= START OF LOAD BALANCING ============== 4957.29 LDB: ============== END OF LOAD BALANCING =============== 4957.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4957.29 LDB: ============= START OF LOAD BALANCING ============== 4957.61 LDB: Largest compute 7041 load 0.030169 is 15.4% of average load 0.195528 LDB: Average compute 0.004368 is 2.2% of average load 0.195528 LDB: TIME 4957.61 LOAD: AVG 0.195528 MAX 0.216297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 4957.62 LOAD: AVG 0.195528 MAX 0.216297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.98 MB LDB: TIME 4957.62 LOAD: AVG 0.195528 MAX 0.216297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.98 MB LDB: ============== END OF LOAD BALANCING =============== 4957.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4957.62 PRESSURE: 1564400 8.07226 140.642 29.1198 140.642 38.4671 -59.028 29.1206 -59.0272 -243.558 GPRESSURE: 1564400 31.047 182.447 79.0977 104.254 39.2435 -121.541 -99.338 74.4511 -179.404 PRESSAVG: 1564400 -48.6503 -13.2461 11.4911 -13.2462 74.493 51.6076 11.491 51.6077 9.63401 GPRESSAVG: 1564400 -49.4173 -15.016 10.7669 -11.9707 75.6939 49.9667 11.1674 50.2043 9.55999 TIMING: 1564400 CPU: 4945.41, 0.00323386/step Wall: 4945.41, 0.00323386/step, 3.08618 hours remaining, 234.878906 MB of memory in use. ENERGY: 1564400 4059.6065 20556.3198 14533.9100 249.2279 -203391.2687 2452.1810 0.0000 0.0000 51786.3605 -109753.6630 297.6169 -161540.0235 -109392.1615 298.1861 -65.6730 -36.3710 762253.1229 11.8256 11.9455 PRESSURE: 1564600 -340.731 35.254 93.4213 35.2537 -90.4676 152.406 93.4211 152.407 -566.825 GPRESSURE: 1564600 -288.423 132.796 30.0856 70.9288 -60.7701 91.6273 206.729 130.866 -553.304 PRESSAVG: 1564600 -53.5673 -29.1546 36.9811 -29.1547 12.9066 -6.67047 36.9811 -6.67057 4.09962 GPRESSAVG: 1564600 -53.0482 -25.87 37.1668 -29.1839 12.3419 -7.58937 38.3346 -5.38993 3.82182 TIMING: 1564600 CPU: 4946.04, 0.00315104/step Wall: 4946.04, 0.00315104/step, 3.00697 hours remaining, 234.937500 MB of memory in use. ENERGY: 1564600 4074.3973 20369.8304 14530.1705 269.3988 -203505.3325 2641.5805 0.0000 0.0000 51940.5440 -109679.4110 298.5030 -161619.9550 -109324.2735 297.9307 -332.6744 -300.8323 763397.0125 -12.1870 -12.2948 PRESSURE: 1564800 -144.11 -223.544 -229.634 -223.544 118.781 167.702 -229.633 167.702 57.348 GPRESSURE: 1564800 -75.3062 -216.119 -209.216 -234.942 117.151 243.048 -280.115 203.6 80.3605 PRESSAVG: 1564800 7.47452 -26.1743 53.0602 -26.1742 -4.26608 -4.43428 53.0601 -4.4343 15.8496 GPRESSAVG: 1564800 8.58105 -27.2496 55.105 -24.9914 -4.42895 -2.90039 50.891 -6.14955 15.1799 TIMING: 1564800 CPU: 4946.67, 0.00317008/step Wall: 4946.67, 0.00317008/step, 3.02496 hours remaining, 234.937500 MB of memory in use. ENERGY: 1564800 3983.3407 20449.8777 14547.4912 258.9228 -203681.4394 2599.9923 0.0000 0.0000 51947.8637 -109893.9511 298.5451 -161841.8148 -109535.0555 297.9686 10.6729 40.7350 762235.0676 6.3527 6.4440 PRESSURE: 1565000 122.809 -167.543 208.957 -167.543 395.055 -87.2819 208.958 -87.2825 151.122 GPRESSURE: 1565000 152.806 -231.733 134.068 -123.474 430.333 -234.34 374.484 95.11 184.626 PRESSAVG: 1565000 39.8744 -5.77577 -22.2314 -5.77575 0.0693603 34.1441 -22.2314 34.144 5.55634 GPRESSAVG: 1565000 39.6579 -5.20889 -25.21 -6.08173 -0.107482 34.1224 -19.6796 33.865 6.14911 TIMING: 1565000 CPU: 4947.3, 0.00316169/step Wall: 4947.3, 0.00316169/step, 3.01678 hours remaining, 235.003906 MB of memory in use. ENERGY: 1565000 3961.1803 20466.5511 14516.2531 265.1272 -203665.3015 2773.3762 0.0000 0.0000 51847.5048 -109835.3090 297.9683 -161682.8137 -109473.7698 297.9105 222.9954 255.9218 761134.4371 15.1667 15.2332 PRESSURE: 1565200 -244.017 199.023 -2.76665 199.023 65.6966 -289.452 -2.76627 -289.452 2.39038 GPRESSURE: 1565200 -171.367 103.207 -127.255 200.266 8.53316 -263.92 93.824 -133.914 69.3505 PRESSAVG: 1565200 -8.61161 -58.2991 35.1677 -58.2991 3.06709 41.6234 35.1677 41.6234 -10.9249 GPRESSAVG: 1565200 -10.3053 -58.677 35.5903 -59.2496 3.48128 42.8559 35.6592 40.6647 -9.75864 TIMING: 1565200 CPU: 4947.94, 0.00317002/step Wall: 4947.94, 0.00317002/step, 3.02455 hours remaining, 235.003906 MB of memory in use. ENERGY: 1565200 3965.8201 20512.8410 14536.2208 247.0098 -203461.2932 2511.8288 0.0000 0.0000 51749.0043 -109938.5685 297.4022 -161687.5728 -109574.6587 298.0275 -58.6433 -31.1613 761015.3838 -5.4898 -5.5276 PRESSURE: 1565400 -176.306 121.257 -74.6106 121.256 90.9681 -263.219 -74.6102 -263.22 -156.409 GPRESSURE: 1565400 -90.915 96.3218 -13.9702 80.6266 120.188 -258.031 -16.0621 -196.376 -167.515 PRESSAVG: 1565400 -19.9184 -28.6327 -21.8122 -28.6327 29.5239 2.26119 -21.8123 2.26116 -5.73488 GPRESSAVG: 1565400 -18.1829 -31.0355 -21.8064 -27.5194 28.6285 0.642485 -23.0071 5.13304 -6.99492 TIMING: 1565400 CPU: 4948.57, 0.00315754/step Wall: 4948.57, 0.00315754/step, 3.01247 hours remaining, 235.003906 MB of memory in use. ENERGY: 1565400 3981.6174 20453.5675 14511.8173 237.6403 -203563.8960 2706.0075 0.0000 0.0000 51716.5539 -109956.6921 297.2157 -161673.2460 -109605.4214 297.7916 -80.5824 -46.0805 761573.7307 1.2902 1.1502 PRESSURE: 1565600 -28.7181 71.786 1.82432 71.7852 -15.4373 -56.337 1.82305 -56.3378 -252.94 GPRESSURE: 1565600 -47.962 18.7985 114.81 50.0963 51.5448 -19.2015 -18.9053 16.8415 -212.703 PRESSAVG: 1565600 -56.7416 15.6874 5.45481 15.6875 70.123 2.76697 5.45478 2.76692 -18.5302 GPRESSAVG: 1565600 -56.7465 17.8665 5.54911 16.1254 70.1075 2.79975 5.18969 1.83412 -18.7199 TIMING: 1565600 CPU: 4949.2, 0.00315316/step Wall: 4949.2, 0.00315316/step, 3.00812 hours remaining, 235.003906 MB of memory in use. ENERGY: 1565600 3948.8887 20450.7750 14538.4100 245.6280 -203604.3858 2738.1538 0.0000 0.0000 51681.2769 -110001.2534 297.0130 -161682.5303 -109642.0856 297.9825 -99.0318 -69.7069 761896.1586 -1.7162 -1.7863 PRESSURE: 1565800 -255.234 -56.7627 -126.834 -56.7627 -14.7095 -81.0344 -126.834 -81.0342 -288.12 GPRESSURE: 1565800 -215.787 -134.293 -87.4562 -104.557 -36.5967 4.20787 -157.689 23.4778 -229.789 PRESSAVG: 1565800 19.0123 11.196 44.7273 11.1959 -14.9289 41.3211 44.7273 41.3211 23.9917 GPRESSAVG: 1565800 18.6812 11.0567 43.5382 7.74985 -14.6659 40.4774 44.2993 39.2057 24.2684 TIMING: 1565800 CPU: 4949.83, 0.00315695/step Wall: 4949.83, 0.00315695/step, 3.01155 hours remaining, 235.003906 MB of memory in use. ENERGY: 1565800 3971.5204 20384.9639 14595.9940 241.4713 -203230.7063 2461.4916 0.0000 0.0000 51748.0067 -109827.2584 297.3965 -161575.2651 -109456.3585 298.3614 -186.0210 -160.7242 762436.5730 9.3584 9.4279 PRESSURE: 1566000 38.367 156.875 -138.792 156.875 -473.177 -46.2354 -138.792 -46.2345 144.565 GPRESSURE: 1566000 3.06739 149.567 -89.6153 185.613 -430.256 -22.3848 -116.757 -97.5227 230.397 PRESSAVG: 1566000 48.4385 -48.4622 13.427 -48.4622 -29.9586 -17.7121 13.427 -17.7121 9.45805 GPRESSAVG: 1566000 49.34 -48.7743 13.8324 -46.8459 -29.4442 -17.5137 13.8024 -17.0108 8.1631 TIMING: 1566000 CPU: 4950.46, 0.00316016/step Wall: 4950.46, 0.00316016/step, 3.01444 hours remaining, 235.003906 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: 1566000 3957.0141 20425.1010 14497.9338 238.3952 -203415.9988 2758.8362 0.0000 0.0000 51816.4882 -109722.2302 297.7901 -161538.7185 -109366.6535 298.0977 -96.7483 -65.5973 762650.0915 9.3127 9.3530 PRESSURE: 1566200 -51.5259 -172.287 -148.622 -172.289 -483.586 -218.065 -148.623 -218.063 84.0426 GPRESSURE: 1566200 -24.6285 11.806 -48.4873 -169.991 -435.687 -184.658 -212.519 -297.552 112.96 PRESSAVG: 1566200 2.51795 -14.7454 -10.7916 -14.7453 -4.36646 -61.86 -10.7917 -61.86 -11.7882 GPRESSAVG: 1566200 1.98424 -12.3714 -9.71469 -15.6479 -4.44502 -62.1264 -10.3579 -61.5136 -11.1219 TIMING: 1566200 CPU: 4951.1, 0.00317321/step Wall: 4951.1, 0.00317321/step, 3.02672 hours remaining, 235.003906 MB of memory in use. ENERGY: 1566200 3902.2180 20382.4613 14453.9665 255.8280 -203114.8189 2619.0487 0.0000 0.0000 51702.0353 -109799.2610 297.1323 -161501.2963 -109441.0672 298.2799 -150.3564 -115.7850 762295.9772 -4.5456 -4.5276 PRESSURE: 1566400 -4.59735 41.4932 -52.1499 41.4935 125.655 -98.2912 -52.15 -98.2906 114.093 GPRESSURE: 1566400 14.6287 -50.3148 -38.9696 21.6526 203.856 -77.4847 -118.7 6.3361 95.4098 PRESSAVG: 1566400 -36.3276 -26.2986 -26.4799 -26.2986 40.8886 -12.8862 -26.4799 -12.8862 7.94139 GPRESSAVG: 1566400 -35.7529 -26.7546 -26.2936 -25.5726 40.15 -13.2833 -27.1234 -11.3409 7.51836 TIMING: 1566400 CPU: 4951.73, 0.00314893/step Wall: 4951.73, 0.00314893/step, 3.00338 hours remaining, 235.003906 MB of memory in use. ENERGY: 1566400 3819.2002 20379.4232 14457.9550 254.6523 -203010.0549 2749.6716 0.0000 0.0000 51722.1828 -109626.9698 297.2481 -161349.1526 -109275.3616 298.2425 78.3836 104.6316 761791.6249 4.1675 3.9718 PRESSURE: 1566600 564.175 -83.5154 283.05 -83.5149 85.9647 -92.202 283.05 -92.2024 146.428 GPRESSURE: 1566600 561.3 -76.1912 267.855 -46.7041 84.9255 -43.009 277.534 -82.2391 198.707 PRESSAVG: 1566600 -53.7302 6.81614 -25.6053 6.81608 39.3297 -4.12655 -25.6053 -4.12651 8.01556 GPRESSAVG: 1566600 -54.4308 5.04026 -25.6818 7.65429 39.1488 -4.38228 -25.8982 -5.3738 8.43991 TIMING: 1566600 CPU: 4952.35, 0.00314081/step Wall: 4952.35, 0.00314081/step, 2.99546 hours remaining, 235.003906 MB of memory in use. ENERGY: 1566600 3945.1762 20427.9690 14564.7709 238.7709 -203704.0785 2987.2184 0.0000 0.0000 52103.6035 -109436.5695 299.4401 -161540.1730 -109074.9146 298.4754 265.5225 281.6440 760677.2283 -2.1283 -2.2807 PRESSURE: 1566800 -282.997 -76.9341 94.1152 -76.9339 -291.938 66.9704 94.1151 66.9715 -136.182 GPRESSURE: 1566800 -273.546 -211.615 43.1858 -107.734 -247.838 135.193 157.105 200.035 -116.962 PRESSAVG: 1566800 19.22 -30.4285 -39.8206 -30.4286 -33.727 -28.9324 -39.8206 -28.9325 -16.2868 GPRESSAVG: 1566800 19.7742 -30.6382 -40.5262 -31.4182 -33.6778 -29.3616 -39.4413 -28.2462 -16.5267 TIMING: 1566800 CPU: 4952.99, 0.00315594/step Wall: 4952.99, 0.00315594/step, 3.00972 hours remaining, 235.003906 MB of memory in use. ENERGY: 1566800 3941.7166 20524.2805 14545.3363 277.9202 -203298.1506 2569.3744 0.0000 0.0000 51866.7263 -109572.7965 298.0788 -161439.5227 -109221.4401 298.7349 -237.0388 -212.7817 761382.0916 -10.2646 -10.1434 PRESSURE: 1567000 -39.4398 122.838 21.8636 122.838 -61.4891 -205.268 21.8632 -205.268 43.6241 GPRESSURE: 1567000 -2.345 92.1912 -8.6589 84.9548 -9.94925 -153.266 121.694 -183.434 22.4339 PRESSAVG: 1567000 -6.33716 -14.8679 14.2298 -14.8679 33.2955 -8.58328 14.2299 -8.58331 23.0946 GPRESSAVG: 1567000 -6.48432 -16.5696 14.2563 -14.2196 34.305 -9.04887 16.0055 -9.52277 22.4324 TIMING: 1567000 CPU: 4953.62, 0.00317726/step Wall: 4953.62, 0.00317726/step, 3.02987 hours remaining, 235.003906 MB of memory in use. ENERGY: 1567000 3931.1447 20528.5122 14642.0888 247.6669 -203330.2700 2651.8141 0.0000 0.0000 51840.4715 -109488.5718 297.9279 -161329.0433 -109129.5353 298.6740 -19.1016 3.3799 761597.9751 16.6843 16.7510 PRESSURE: 1567200 216.412 -174.079 123.98 -174.079 421.177 -14.4448 123.98 -14.4461 229.642 GPRESSURE: 1567200 304.66 -125.277 108.57 -167.275 426.823 38.3485 108.354 24.7671 212.941 PRESSAVG: 1567200 -32.7526 -3.36247 -18.0486 -3.36251 28.423 -7.87639 -18.0486 -7.87643 14.8949 GPRESSAVG: 1567200 -32.3321 -1.15393 -19.2735 -3.16494 27.9663 -6.56664 -18.723 -7.66598 15.2831 TIMING: 1567200 CPU: 4954.26, 0.00317851/step Wall: 4954.26, 0.00317851/step, 3.03089 hours remaining, 235.003906 MB of memory in use. ENERGY: 1567200 3885.7943 20498.5712 14551.2697 252.7960 -203487.6666 3102.0093 0.0000 0.0000 51887.9711 -109309.2550 298.2009 -161197.2261 -108945.5368 299.1020 289.0769 314.8077 761110.7592 3.5218 3.6391 PRESSURE: 1567400 -351.132 187.162 -48.307 187.163 -491.246 138.585 -48.308 138.585 3.36436 GPRESSURE: 1567400 -239.365 153.032 -139.967 320.227 -466.939 66.3062 1.49825 101.582 -47.578 PRESSAVG: 1567400 13.5669 24.336 26.564 24.336 -4.7921 -9.43918 26.5639 -9.43917 22.1374 GPRESSAVG: 1567400 13.7861 22.485 27.978 23.8597 -4.88924 -8.14868 27.2838 -10.6157 22.2417 TIMING: 1567400 CPU: 4954.89, 0.00317374/step Wall: 4954.89, 0.00317374/step, 3.02616 hours remaining, 235.003906 MB of memory in use. ENERGY: 1567400 4043.1565 20524.5916 14575.9676 244.3530 -203364.0232 2707.3181 0.0000 0.0000 52030.5924 -109238.0441 299.0205 -161268.6364 -108876.4946 299.2636 -279.6712 -251.2940 763526.2927 10.3041 10.3795 PRESSURE: 1567600 97.4478 -36.8782 -91.0977 -36.8779 62.6191 21.462 -91.098 21.4627 -237.121 GPRESSURE: 1567600 -34.9602 -132.782 -98.9645 -227.803 176.276 -10.8305 39.402 23.8726 -126.702 PRESSAVG: 1567600 -10.0075 -8.51574 9.02312 -8.5157 28.1676 19.1734 9.02316 19.1735 -30.9191 GPRESSAVG: 1567600 -9.64342 -8.55549 7.2402 -9.16607 28.7599 18.7857 10.0566 20.066 -31.2909 TIMING: 1567600 CPU: 4955.52, 0.00315453/step Wall: 4955.52, 0.00315453/step, 3.00767 hours remaining, 235.003906 MB of memory in use. ENERGY: 1567600 4055.9087 20333.0525 14543.9811 226.8811 -203190.5003 2592.5912 0.0000 0.0000 52235.8833 -109202.2024 300.2003 -161438.0856 -108844.0779 299.4782 -25.6848 4.8714 762700.7218 -4.2530 -4.0581 PRESSURE: 1567800 -222.337 -202.094 -178.004 -202.094 186.388 -42.3527 -178.004 -42.3533 -123.382 GPRESSURE: 1567800 -109.212 -238.105 -151.979 -134.476 61.1191 -148.492 -205.478 -30.5532 -24.4695 PRESSAVG: 1567800 -0.32668 -23.1603 34.9873 -23.1602 1.14891 -28.0977 34.9873 -28.0977 12.257 GPRESSAVG: 1567800 -1.31285 -24.463 35.849 -22.1601 1.91794 -29.2796 33.6303 -28.1852 12.4841 TIMING: 1567800 CPU: 4956.16, 0.00318032/step Wall: 4956.16, 0.00318032/step, 3.03209 hours remaining, 235.003906 MB of memory in use. ENERGY: 1567800 3906.2167 20410.4731 14576.0410 267.1722 -203011.3137 2614.4687 0.0000 0.0000 52204.0998 -109032.8422 300.0177 -161236.9421 -108663.9416 299.9509 -53.1105 -24.1874 763930.8656 4.3598 4.3631 PRESSURE: 1568000 -141.022 301.174 131.846 301.174 -21.798 -92.3094 131.846 -92.309 -31.9595 GPRESSURE: 1568000 -13.1028 229.53 113.986 309.959 -51.4759 -29.3378 160.597 -131.016 -48.5271 PRESSAVG: 1568000 -1.32344 -27.1594 -6.74141 -27.1594 -26.8588 -28.7784 -6.74139 -28.7784 21.1887 GPRESSAVG: 1568000 -0.26103 -22.7515 -7.50048 -26.9558 -27.9559 -28.0589 -5.9694 -28.309 21.6045 TIMING: 1568000 CPU: 4956.79, 0.00316255/step Wall: 4956.79, 0.00316255/step, 3.01497 hours remaining, 235.003906 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: 1568000 4014.0182 20500.3709 14569.2394 234.1041 -203086.6016 2457.7601 0.0000 0.0000 52207.5108 -109103.5981 300.0373 -161311.1089 -108748.2725 299.8558 -64.9265 -37.7020 760296.9528 -2.3312 -2.2041 PRESSURE: 1568200 -456.104 -4.06551 -5.06928 -4.06593 -65.3363 205.948 -5.06934 205.948 13.2312 GPRESSURE: 1568200 -315.238 -18.9172 51.2504 -28.2089 -127.95 50.3958 -12.1439 295.432 19.5477 PRESSAVG: 1568200 40.2987 5.16668 26.7749 5.1667 -6.85895 -2.57443 26.7749 -2.57436 -3.2892 GPRESSAVG: 1568200 40.7445 2.9423 26.6108 6.13845 -5.88046 -3.7674 25.6182 -1.88789 -3.56279 TIMING: 1568200 CPU: 4957.43, 0.00317688/step Wall: 4957.43, 0.00317688/step, 3.02845 hours remaining, 235.003906 MB of memory in use. ENERGY: 1568200 3939.0685 20339.6672 14582.0460 244.7390 -202814.2579 2184.1648 0.0000 0.0000 52297.8473 -109226.7251 300.5564 -161524.5724 -108860.2596 299.7510 -169.4031 -141.2133 762612.7407 10.0502 10.4337 LDB: ============= START OF LOAD BALANCING ============== 4969.96 LDB: ============== END OF LOAD BALANCING =============== 4969.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4969.96 LDB: ============= START OF LOAD BALANCING ============== 4970.28 LDB: Largest compute 7037 load 0.030472 is 15.6% of average load 0.195425 LDB: Average compute 0.004388 is 2.2% of average load 0.195425 LDB: TIME 4970.29 LOAD: AVG 0.195425 MAX 0.218642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.309 MB LDB: TIME 4970.29 LOAD: AVG 0.195425 MAX 0.218642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.379 MB LDB: TIME 4970.29 LOAD: AVG 0.195425 MAX 0.216129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.379 MB LDB: ============== END OF LOAD BALANCING =============== 4970.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4970.29 PRESSURE: 1568400 42.1029 103.806 -60.9102 103.806 191.734 -87.7264 -60.91 -87.7261 -264.656 GPRESSURE: 1568400 184.605 224.498 27.4068 80.4356 91.7085 -69.0761 0.82005 -20.1108 -231.53 PRESSAVG: 1568400 10.9403 -1.16989 4.41634 -1.16993 1.89237 -18.5165 4.4163 -18.5165 -30.307 GPRESSAVG: 1568400 10.2539 -1.29951 5.84763 -3.34789 1.4536 -17.2635 3.96251 -20.7865 -29.3383 TIMING: 1568400 CPU: 4958.08, 0.00324859/step Wall: 4958.08, 0.00324859/step, 3.09663 hours remaining, 235.187500 MB of memory in use. ENERGY: 1568400 3984.9810 20508.0740 14515.9011 245.0092 -203170.4300 2466.7369 0.0000 0.0000 52308.8834 -109140.8445 300.6199 -161449.7279 -108775.5732 299.2968 -10.2729 14.9280 760622.8258 -5.8248 -5.8769 PRESSURE: 1568600 -131.493 -207.132 172.651 -207.133 177.936 -151.893 172.651 -151.893 88.4468 GPRESSURE: 1568600 -143.574 -162.566 204.318 -158.609 192.118 -237.698 96.2233 -126.685 176.079 PRESSAVG: 1568600 -14.4327 -50.7788 -12.5055 -50.7788 -8.02102 48.3087 -12.5055 48.3087 27.9852 GPRESSAVG: 1568600 -14.0179 -51.0003 -11.9257 -50.3832 -8.15132 48.0691 -11.7548 50.7753 28.3298 TIMING: 1568600 CPU: 4958.71, 0.00316626/step Wall: 4958.71, 0.00316626/step, 3.01797 hours remaining, 235.515625 MB of memory in use. ENERGY: 1568600 3928.3833 20510.6353 14565.9493 255.9284 -202951.4386 2532.0644 0.0000 0.0000 52075.4708 -109083.0072 299.2784 -161158.4779 -108702.5926 300.0017 44.9630 74.8747 762168.2212 1.8438 2.0535 PRESSURE: 1568800 -26.7316 -170.446 80.6437 -170.446 130.416 -126.607 80.6439 -126.608 113.101 GPRESSURE: 1568800 6.68852 -145.607 55.765 -250.587 218.745 -145.492 74.0012 -48.2904 83.6136 PRESSAVG: 1568800 39.0579 -73.2332 -4.92956 -73.2333 -45.1522 -13.4817 -4.92958 -13.4816 -9.81281 GPRESSAVG: 1568800 39.1602 -70.0522 -6.37263 -73.9996 -43.9202 -14.6965 -5.09989 -14.8705 -10.817 TIMING: 1568800 CPU: 4959.34, 0.00314445/step Wall: 4959.34, 0.00314445/step, 2.99701 hours remaining, 235.515625 MB of memory in use. ENERGY: 1568800 4081.2806 20638.2181 14480.2713 236.6863 -203581.9711 2857.2700 0.0000 0.0000 52260.5813 -109027.6635 300.3423 -161288.2449 -108669.2520 299.7676 72.2618 103.0156 759584.5127 -5.3024 -5.1924 PRESSURE: 1569000 -291.269 77.4349 -37.0516 77.4357 -273.89 -70.6258 -37.0501 -70.6242 -447.574 GPRESSURE: 1569000 -335.4 39.5578 -61.3316 -125.177 -201.498 -84.3944 68.6887 -92.6956 -395.507 PRESSAVG: 1569000 -3.96762 -71.4828 -42.5645 -71.4828 7.86317 -27.0476 -42.5645 -27.0475 -10.5571 GPRESSAVG: 1569000 -4.8405 -74.5789 -42.5948 -70.5246 8.47164 -24.5422 -41.9354 -26.7057 -10.8117 TIMING: 1569000 CPU: 4959.97, 0.00317564/step Wall: 4959.97, 0.00317564/step, 3.02656 hours remaining, 235.515625 MB of memory in use. ENERGY: 1569000 4007.2044 20585.6892 14490.0120 233.6519 -203234.7061 2559.1474 0.0000 0.0000 52257.3201 -109101.6811 300.3235 -161359.0012 -108731.5845 299.9793 -337.5775 -310.8013 761194.2154 -2.2205 -2.3935 PRESSURE: 1569200 138.043 -162.929 188.445 -162.928 -18.17 -3.33176 188.445 -3.33314 280.128 GPRESSURE: 1569200 192.105 -138.557 255.372 -13.2432 -54.5797 -4.69941 118.678 -21.9968 368.134 PRESSAVG: 1569200 86.0369 -39.9145 14.4813 -39.9145 -45.3896 65.0482 14.4813 65.0481 1.83861 GPRESSAVG: 1569200 86.4478 -38.741 15.6621 -39.2007 -45.9365 62.7662 12.65 64.3915 1.83675 TIMING: 1569200 CPU: 4960.6, 0.00314399/step Wall: 4960.6, 0.00314399/step, 2.99622 hours remaining, 235.718750 MB of memory in use. ENERGY: 1569200 3963.9669 20574.2949 14467.2602 264.5790 -203514.1382 2851.1033 0.0000 0.0000 52063.3997 -109329.5343 299.2091 -161392.9339 -108973.1406 299.5890 133.3336 168.5531 759360.8713 14.1620 14.1160 PRESSURE: 1569400 -240.829 35.1459 190.442 35.1457 -204.708 96.1086 190.442 96.1079 -97.0845 GPRESSURE: 1569400 -178.969 96.5565 151.871 75.7002 -233.256 138.696 205.44 7.60281 -44.1118 PRESSAVG: 1569400 13.8898 -30.8518 67.2187 -30.8518 18.1358 4.20164 67.2186 4.20164 -2.22532 GPRESSAVG: 1569400 15.1107 -28.5468 66.5795 -30.9482 16.2173 6.46968 69.7855 0.834165 -1.46747 TIMING: 1569400 CPU: 4961.24, 0.00316516/step Wall: 4961.24, 0.00316516/step, 3.01622 hours remaining, 235.718750 MB of memory in use. ENERGY: 1569400 3996.6618 20562.9942 14508.4535 245.8825 -203169.6508 2422.8812 0.0000 0.0000 52093.3237 -109339.4539 299.3810 -161432.7776 -108984.9962 299.2468 -180.8736 -152.1124 760380.9291 9.9334 9.9535 PRESSURE: 1569600 -238.398 -79.791 7.40964 -79.7914 212.167 50.4126 7.40918 50.4134 -144.77 GPRESSURE: 1569600 -205.33 -58.3785 -59.967 -186.286 317.467 71.0702 -135.904 33.6855 -197.535 PRESSAVG: 1569600 37.2802 -14.933 7.34185 -14.933 -44.4302 -45.2275 7.34183 -45.2274 21.5692 GPRESSAVG: 1569600 36.0048 -16.2274 6.99474 -15.8485 -43.2897 -46.8287 5.50721 -42.4461 21.4777 TIMING: 1569600 CPU: 4961.87, 0.00318288/step Wall: 4961.87, 0.00318288/step, 3.03293 hours remaining, 235.718750 MB of memory in use. ENERGY: 1569600 3967.2266 20488.6335 14548.3471 239.4000 -203259.2075 2308.7222 0.0000 0.0000 52038.3585 -109668.5197 299.0652 -161706.8782 -109302.7906 298.8959 -57.0006 -28.4658 759484.3327 4.8064 4.7309 PRESSURE: 1569800 -86.1351 -180.822 75.5053 -180.823 114.193 -161.369 75.5048 -161.37 -123.699 GPRESSURE: 1569800 -53.116 -44.7021 96.9933 -100.74 200.693 -169.778 52.7276 -134.753 -135.256 PRESSAVG: 1569800 -10.4092 -21.2894 25.5508 -21.2895 10.5195 -32.6769 25.5508 -32.677 3.5844 GPRESSAVG: 1569800 -9.66871 -21.4553 27.1104 -20.2409 10.0306 -33.1123 24.7605 -33.5823 3.13947 TIMING: 1569800 CPU: 4962.51, 0.00318084/step Wall: 4962.51, 0.00318084/step, 3.03081 hours remaining, 235.718750 MB of memory in use. ENERGY: 1569800 4024.6289 20566.6629 14520.4635 237.9618 -203599.1475 2723.4308 0.0000 0.0000 52084.0660 -109441.9337 299.3278 -161525.9997 -109072.9077 298.7257 -31.8803 4.1073 759497.4522 1.2316 1.1671 PRESSURE: 1570000 306.133 9.45761 -65.5148 9.45811 -30.1564 -5.58761 -65.5145 -5.58809 -118.217 GPRESSURE: 1570000 326.416 -76.4603 -142.491 -73.4466 -44.4338 30.5226 -130.113 140.94 -41.3157 PRESSAVG: 1570000 18.0238 -44.3498 4.10901 -44.3499 -44.304 -18.7037 4.10896 -18.7037 -29.2171 GPRESSAVG: 1570000 17.7032 -44.6893 2.56703 -45.2736 -43.8709 -18.1956 5.20196 -16.1395 -28.7516 TIMING: 1570000 CPU: 4963.14, 0.00316091/step Wall: 4963.14, 0.00316091/step, 3.01165 hours remaining, 235.718750 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: 1570000 3946.6569 20388.2570 14515.4858 253.3132 -203540.4740 2764.0009 0.0000 0.0000 52123.6085 -109549.1517 299.5551 -161672.7602 -109183.2338 298.6219 52.5863 80.2222 760284.4227 -18.4991 -18.3065 PRESSURE: 1570200 -258.706 0.476749 154.753 0.477203 -426.44 230.576 154.753 230.577 79.8233 GPRESSURE: 1570200 -166.575 49.8003 166.264 31.4641 -386.683 324.136 157.478 99.4808 41.0424 PRESSAVG: 1570200 39.5892 -19.8576 -14.8105 -19.8576 -24.3441 62.9789 -14.8105 62.9789 -10.717 GPRESSAVG: 1570200 40.6286 -19.2796 -13.805 -18.9084 -25.3125 64.0671 -14.7603 60.7309 -10.8107 TIMING: 1570200 CPU: 4963.77, 0.00317164/step Wall: 4963.77, 0.00317164/step, 3.0217 hours remaining, 235.718750 MB of memory in use. ENERGY: 1570200 4065.2563 20441.9414 14478.2783 246.9903 -202971.2967 2194.3048 0.0000 0.0000 51833.6850 -109710.8406 297.8889 -161544.5256 -109348.8289 298.9991 -201.7745 -170.7385 760994.5117 1.5093 1.5018 PRESSURE: 1570400 225.516 58.3996 44.916 58.3998 -408.13 -11.9696 44.9156 -11.9706 -208.759 GPRESSURE: 1570400 222.664 66.7565 103.766 -12.933 -369.548 8.58419 20.3439 2.85968 -169.488 PRESSAVG: 1570400 10.3599 -1.40775 53.5727 -1.40781 -35.1201 -17.5096 53.5727 -17.5095 13.4021 GPRESSAVG: 1570400 9.71809 -1.05005 53.9758 -2.22723 -35.5764 -18.4149 51.9409 -17.6793 14.81 TIMING: 1570400 CPU: 4964.41, 0.00317618/step Wall: 4964.41, 0.00317618/step, 3.02584 hours remaining, 235.718750 MB of memory in use. ENERGY: 1570400 3975.1911 20537.9776 14575.2875 242.3980 -203169.6304 2220.4332 0.0000 0.0000 52015.6693 -109602.6738 298.9348 -161618.3431 -109237.3386 298.6769 -130.4574 -105.4573 760463.1380 -3.7860 -3.6828 PRESSURE: 1570600 -410.135 -115.177 102.811 -115.177 -776.221 -134.936 102.812 -134.935 -319.319 GPRESSURE: 1570600 -380.666 -97.0557 117.155 -53.7671 -668.008 -211.162 12.7018 -36.0018 -380.76 PRESSAVG: 1570600 -34.1798 -18.7283 -4.59663 -18.7282 -22.605 -15.2197 -4.59661 -15.2196 -23.046 GPRESSAVG: 1570600 -35.1606 -18.8002 -6.22666 -18.9499 -21.2806 -16.1202 -1.10463 -13.6631 -23.3752 TIMING: 1570600 CPU: 4965.04, 0.00316836/step Wall: 4965.04, 0.00316836/step, 3.01821 hours remaining, 235.718750 MB of memory in use. ENERGY: 1570600 4060.7215 20534.9813 14610.6172 242.4179 -203104.9985 2313.4851 0.0000 0.0000 51948.9030 -109393.8725 298.5511 -161342.7756 -109039.1954 299.1431 -501.8917 -476.4779 762407.5917 -26.6103 -26.6055 PRESSURE: 1570800 -261.085 9.79499 46.0345 9.79419 -65.8641 -305.388 46.034 -305.39 -311.188 GPRESSURE: 1570800 -294.698 36.4701 -42.0546 23.2145 12.2569 -287.574 90.2834 -354.973 -270.878 PRESSAVG: 1570800 3.16354 36.9689 6.09171 36.9689 26.6694 3.41961 6.09171 3.41953 10.9516 GPRESSAVG: 1570800 4.30667 36.2511 6.86815 36.8699 26.2669 4.40563 3.49311 3.03641 9.98069 TIMING: 1570800 CPU: 4965.68, 0.00320334/step Wall: 4965.68, 0.00320334/step, 3.05136 hours remaining, 235.718750 MB of memory in use. ENERGY: 1570800 4031.7454 20368.7022 14619.3465 246.4764 -203363.6253 2841.6512 0.0000 0.0000 51893.4954 -109362.2083 298.2326 -161255.7037 -109007.1137 299.3231 -212.7123 -184.4399 761626.7093 13.5948 13.5181 PRESSURE: 1571000 -345.493 154.975 217.159 154.975 -93.1103 1.31747 217.158 1.31749 -444.264 GPRESSURE: 1571000 -352.659 96.0457 212.113 198.579 -29.3178 72.7258 104.199 -79.1244 -413.82 PRESSAVG: 1571000 20.6367 74.4907 12.9993 74.4907 17.7664 5.21055 12.9992 5.21059 9.49323 GPRESSAVG: 1571000 20.7123 71.6789 14.1221 77.1397 17.8349 5.5677 11.8571 3.43654 9.45347 TIMING: 1571000 CPU: 4966.32, 0.00316181/step Wall: 4966.32, 0.00316181/step, 3.01162 hours remaining, 235.718750 MB of memory in use. ENERGY: 1571000 4022.2928 20424.6283 14521.5897 251.1864 -203401.2108 2582.3106 0.0000 0.0000 52140.8621 -109458.3409 299.6543 -161599.2030 -109103.6466 298.9117 -294.2890 -265.2653 760790.5722 15.9654 16.0003 PRESSURE: 1571200 -410.129 166.645 102.769 166.645 -85.5645 -98.2023 102.77 -98.2031 -312.827 GPRESSURE: 1571200 -319.158 186.921 80.2302 179.152 -99.1072 -160.631 235.473 45.8951 -277.132 PRESSAVG: 1571200 -36.0637 6.3404 27.9164 6.34046 47.0002 3.82761 27.9164 3.82764 -0.990863 GPRESSAVG: 1571200 -35.325 8.16045 26.7958 5.29837 46.0149 4.15932 28.2554 5.95095 -0.885463 TIMING: 1571200 CPU: 4966.95, 0.00318469/step Wall: 4966.95, 0.00318469/step, 3.03324 hours remaining, 235.718750 MB of memory in use. ENERGY: 1571200 4072.0617 20392.0958 14555.6407 234.7358 -203416.1855 2628.1197 0.0000 0.0000 52079.9906 -109453.5412 299.3044 -161533.5318 -109101.9933 298.8621 -269.5069 -231.7989 760708.8074 3.3152 3.2681 PRESSURE: 1571400 -151.849 -88.4102 -185.577 -88.4103 220.304 -95.7157 -185.576 -95.7166 -150.043 GPRESSURE: 1571400 -70.6503 -214.027 -161.941 -71.6357 136.396 -175.533 -102.272 -105.156 -56.7808 PRESSAVG: 1571400 -17.2365 -68.5078 6.17599 -68.5077 37.6087 52.8409 6.17596 52.841 4.87431 GPRESSAVG: 1571400 -17.6135 -67.3854 4.80908 -69.2201 37.3044 52.1253 8.81018 51.567 5.8203 TIMING: 1571400 CPU: 4967.59, 0.00319455/step Wall: 4967.59, 0.00319455/step, 3.04245 hours remaining, 235.718750 MB of memory in use. ENERGY: 1571400 3961.0259 20319.5493 14539.3592 244.6549 -203081.5267 2539.4943 0.0000 0.0000 51890.1598 -109587.2831 298.2135 -161477.4430 -109228.4126 298.6010 -27.1956 2.9881 762726.8899 8.4155 8.5037 PRESSURE: 1571600 -298.55 147.729 86.5697 147.728 51.4862 170.619 86.5695 170.62 -95.6134 GPRESSURE: 1571600 -204.954 156.631 43.6836 -7.67189 -2.27865 247.503 75.2869 192.508 -51.7487 PRESSAVG: 1571600 17.6504 -0.488805 47.6117 -0.488829 -27.6044 4.42171 47.6117 4.42168 9.48599 GPRESSAVG: 1571600 16.3006 -2.15215 48.2086 -3.39007 -26.3646 4.64276 46.7258 4.81466 10.2091 TIMING: 1571600 CPU: 4968.22, 0.00315038/step Wall: 4968.22, 0.00315038/step, 3.00021 hours remaining, 235.718750 MB of memory in use. ENERGY: 1571600 4046.5023 20490.1733 14604.7509 231.9839 -203397.1105 2789.4839 0.0000 0.0000 51779.4339 -109454.7824 297.5771 -161234.2163 -109094.0410 298.1749 -114.2258 -86.3270 761504.7117 -0.1560 0.0484 PRESSURE: 1571800 -264.728 -96.1356 49.3543 -96.1359 -56.1605 51.0965 49.3547 51.0967 -18.9406 GPRESSURE: 1571800 -242.104 83.9774 9.35051 -62.8042 7.53676 118.07 73.4453 83.6995 -35.8003 PRESSAVG: 1571800 -7.80626 29.8742 84.9771 29.8742 -24.5143 40.641 84.9771 40.641 10.4948 GPRESSAVG: 1571800 -6.47944 29.823 84.279 32.7176 -24.4081 39.5538 84.8199 41.5184 8.63019 TIMING: 1571800 CPU: 4968.85, 0.00315503/step Wall: 4968.85, 0.00315503/step, 3.00446 hours remaining, 235.718750 MB of memory in use. ENERGY: 1571800 3955.8385 20376.7683 14510.1931 240.2759 -203528.6110 2804.0451 0.0000 0.0000 51958.4901 -109682.9999 298.6062 -161641.4900 -109314.8812 298.6316 -113.2762 -90.1226 762143.0711 -7.2753 -7.4191 PRESSURE: 1572000 10.2949 -1.34494 -56.3152 -1.34546 213.981 -68.0777 -56.315 -68.0782 -234.216 GPRESSURE: 1572000 34.313 52.151 -28.5865 67.6885 265.687 -82.5317 -22.7122 -91.4179 -239.638 PRESSAVG: 1572000 22.3912 -1.09507 39.6191 -1.09509 -14.6447 15.5477 39.6191 15.5477 -4.24068 GPRESSAVG: 1572000 21.7549 1.69709 40.1456 -2.00576 -13.4485 15.9632 36.9265 14.0123 -4.28651 TIMING: 1572000 CPU: 4969.48, 0.00314674/step Wall: 4969.48, 0.00314674/step, 2.99639 hours remaining, 235.718750 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: 1572000 3955.7672 20435.4626 14601.1571 257.8767 -203859.7257 2925.1392 0.0000 0.0000 51990.6754 -109693.6476 298.7911 -161684.3230 -109338.8331 298.4925 -3.3134 20.1205 760670.4915 1.1686 1.3400 PRESSURE: 1572200 -126.215 -29.3227 -79.1625 -29.3227 -155.245 185.51 -79.1619 185.511 132.238 GPRESSURE: 1572200 -125.237 -4.04839 -59.7732 -3.60296 -52.0596 252.065 -146.031 276.57 103.313 PRESSAVG: 1572200 57.2734 -36.8064 26.8643 -36.8063 1.89723 52.9878 26.8643 52.9877 -9.01703 GPRESSAVG: 1572200 56.5128 -38.9769 27.0131 -36.845 0.936959 54.0194 29.6571 51.7992 -7.89809 TIMING: 1572200 CPU: 4970.12, 0.0031786/step Wall: 4970.12, 0.0031786/step, 3.02655 hours remaining, 235.718750 MB of memory in use. ENERGY: 1572200 4003.2384 20394.6630 14560.0919 247.5574 -203413.7018 2614.1286 0.0000 0.0000 52065.6268 -109528.3957 299.2219 -161594.0225 -109158.7010 298.7576 -49.7407 -24.6610 760283.5277 16.7179 16.5172 LDB: ============= START OF LOAD BALANCING ============== 4982.65 LDB: ============== END OF LOAD BALANCING =============== 4982.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4982.65 LDB: ============= START OF LOAD BALANCING ============== 4982.97 LDB: Largest compute 7037 load 0.030707 is 15.7% of average load 0.195387 LDB: Average compute 0.004368 is 2.2% of average load 0.195387 LDB: TIME 4982.98 LOAD: AVG 0.195387 MAX 0.214073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.699 MB LDB: TIME 4982.98 LOAD: AVG 0.195387 MAX 0.214073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.699 MB LDB: TIME 4982.98 LOAD: AVG 0.195387 MAX 0.214073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.699 MB LDB: ============== END OF LOAD BALANCING =============== 4982.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4982.98 PRESSURE: 1572400 -498.961 -54.1206 224.47 -54.1204 -266.882 197.809 224.47 197.808 178.123 GPRESSURE: 1572400 -383.566 -30.6879 297.179 -67.5245 -317.677 202.154 133.085 64.0487 193.873 PRESSAVG: 1572400 0.453794 4.91569 -44.2914 4.91568 -4.62297 0.948296 -44.2913 0.948331 -19.8262 GPRESSAVG: 1572400 1.66462 4.79673 -44.3871 5.54341 -4.5546 0.0288409 -45.1057 4.7501 -21.0078 TIMING: 1572400 CPU: 4970.77, 0.00324512/step Wall: 4970.77, 0.00324512/step, 3.08972 hours remaining, 235.957031 MB of memory in use. ENERGY: 1572400 3999.2413 20498.8700 14588.3588 234.6595 -203577.4154 2871.8753 0.0000 0.0000 51851.0612 -109533.3493 297.9888 -161384.4104 -109181.5635 298.7280 -195.9067 -169.1236 760582.7583 -7.9985 -7.9659 PRESSURE: 1572600 -95.7655 55.0697 -193.937 55.0692 51.4287 6.73898 -193.937 6.73856 -122.679 GPRESSURE: 1572600 -102.859 75.7975 -206.094 -11.0919 131.894 97.7863 -91.176 87.2689 -111.152 PRESSAVG: 1572600 -42.0309 -48.0592 -26.5913 -48.0592 21.4668 -17.1241 -26.5913 -17.1241 12.012 GPRESSAVG: 1572600 -43.0707 -46.2736 -26.349 -50.5891 22.0815 -16.8731 -25.0367 -18.5205 12.6586 TIMING: 1572600 CPU: 4971.41, 0.00320949/step Wall: 4971.41, 0.00320949/step, 3.05561 hours remaining, 236.160156 MB of memory in use. ENERGY: 1572600 3911.5382 20412.9353 14631.0580 240.4952 -203370.5690 2661.4330 0.0000 0.0000 51963.3305 -109549.7787 298.6340 -161513.1092 -109199.7972 298.2599 -55.6719 -27.3723 761756.1025 -2.8507 -2.7769 PRESSURE: 1572800 -247.558 -121.49 -221.199 -121.49 -160.993 26.0403 -221.2 26.0395 -385.52 GPRESSURE: 1572800 -288.63 -86.2538 -111.034 -168.964 -71.7066 12.9968 -179.895 11.5632 -353.621 PRESSAVG: 1572800 -9.52668 -1.91158 -31.9584 -1.91155 25.0355 -13.6131 -31.9584 -13.6131 -13.685 GPRESSAVG: 1572800 -9.01853 -4.23312 -33.1473 -0.935307 25.0222 -14.0611 -34.0689 -12.7587 -13.993 TIMING: 1572800 CPU: 4972.05, 0.00320678/step Wall: 4972.05, 0.00320678/step, 3.05285 hours remaining, 236.160156 MB of memory in use. ENERGY: 1572800 3948.8589 20373.7946 14560.4203 260.1024 -203331.5409 2602.5956 0.0000 0.0000 51924.9864 -109660.7828 298.4136 -161585.7692 -109304.8953 298.4654 -264.6907 -237.9857 761852.4059 0.6079 0.6702 PRESSURE: 1573000 148.141 -27.5203 -237.999 -27.5212 224.907 293.842 -237.999 293.842 -20.5234 GPRESSURE: 1573000 195.062 -8.64052 -167.049 -97.4949 232.776 217.905 -188.457 238.237 5.91394 PRESSAVG: 1573000 -53.126 -89.1016 -42.9033 -89.1016 38.4939 37.576 -42.9033 37.576 -20.8436 GPRESSAVG: 1573000 -54.5117 -90.8419 -42.0906 -87.1271 39.3255 40.4018 -41.5303 36.5678 -20.6004 TIMING: 1573000 CPU: 4972.69, 0.00318909/step Wall: 4972.69, 0.00318909/step, 3.03583 hours remaining, 236.160156 MB of memory in use. ENERGY: 1573000 4026.1498 20470.2142 14530.8008 267.3819 -203394.3236 2540.4847 0.0000 0.0000 51786.2405 -109773.0517 297.6162 -161559.2922 -109417.7542 298.3623 117.5082 144.5840 759023.7677 -11.8252 -11.9289 PRESSURE: 1573200 16.6109 77.2463 -81.775 77.2468 -251.56 59.6375 -81.7737 59.6376 215.465 GPRESSURE: 1573200 58.1811 -30.3248 -65.8391 -35.5191 -304.168 60.9324 -205.047 -8.49977 301.322 PRESSAVG: 1573200 0.553459 -42.8213 -3.31773 -42.8212 31.1257 5.20327 -3.31766 5.20323 19.0749 GPRESSAVG: 1573200 1.86274 -40.6736 -3.15064 -44.0452 29.5118 3.29127 -3.58718 6.01886 18.4262 TIMING: 1573200 CPU: 4973.33, 0.00318839/step Wall: 4973.33, 0.00318839/step, 3.03499 hours remaining, 236.160156 MB of memory in use. ENERGY: 1573200 3972.2431 20402.7478 14510.3712 242.4466 -203515.9503 2617.3928 0.0000 0.0000 51941.5463 -109829.2025 298.5088 -161770.7487 -109477.4961 298.3693 -6.4946 18.4452 759429.7434 16.9180 16.6002 PRESSURE: 1573400 -288.197 99.7955 136.108 99.7956 -110.212 -1.64982 136.108 -1.64951 -658.709 GPRESSURE: 1573400 -281.122 72.0497 133.867 48.265 -25.8227 -63.5488 245.109 44.9801 -678.675 PRESSAVG: 1573400 -37.146 12.0318 -49.379 12.0318 -1.09849 13.5261 -49.3789 13.526 2.41179 GPRESSAVG: 1573400 -38.1472 11.4904 -49.2452 10.791 0.239005 13.2011 -49.5975 11.7902 2.63499 TIMING: 1573400 CPU: 4973.96, 0.00317862/step Wall: 4973.96, 0.00317862/step, 3.02552 hours remaining, 236.160156 MB of memory in use. ENERGY: 1573400 4033.5236 20493.8506 14508.3872 255.0974 -203893.1616 2675.8567 0.0000 0.0000 52048.7781 -109877.6681 299.1250 -161926.4462 -109511.7916 298.4290 -352.3724 -328.5399 762204.9272 -11.9442 -11.7577 PRESSURE: 1573600 -78.3765 48.1679 -151.206 48.1684 -164.845 -117.297 -151.205 -117.297 166.365 GPRESSURE: 1573600 -128.226 108.758 -142.344 -23.7966 -40.8642 -97.5669 -136.824 -119.483 169.321 PRESSAVG: 1573600 -1.84461 -24.9178 -48.1844 -24.9178 -2.74961 -26.0781 -48.1844 -26.0781 -6.40034 GPRESSAVG: 1573600 -1.4385 -24.9182 -48.7683 -25.7035 -2.35057 -26.6876 -50.0431 -26.6906 -6.97416 TIMING: 1573600 CPU: 4974.6, 0.00319491/step Wall: 4974.6, 0.00319491/step, 3.04084 hours remaining, 236.160156 MB of memory in use. ENERGY: 1573600 3982.4916 20490.7231 14516.6045 227.2136 -203718.2219 2709.3831 0.0000 0.0000 51868.9981 -109922.8079 298.0918 -161791.8060 -109567.9104 298.4780 -25.6188 0.0771 760831.6036 -3.6649 -3.5877 PRESSURE: 1573800 -71.8593 -13.3908 -12.3396 -13.3909 -48.84 -134.762 -12.3399 -134.761 -310.814 GPRESSURE: 1573800 -37.2991 12.4722 -35.5502 -118.169 -31.4402 -97.7358 116.797 -64.4353 -272.335 PRESSAVG: 1573800 3.63594 -71.5481 -49.4768 -71.5482 25.0291 -34.3969 -49.4768 -34.3969 -13.0286 GPRESSAVG: 1573800 4.39554 -70.4831 -48.5609 -71.7188 24.0804 -32.3804 -48.555 -33.664 -12.5448 TIMING: 1573800 CPU: 4975.24, 0.00319501/step Wall: 4975.24, 0.00319501/step, 3.04077 hours remaining, 236.160156 MB of memory in use. ENERGY: 1573800 4029.2394 20606.4901 14516.9990 231.8108 -203117.3479 2356.3389 0.0000 0.0000 51669.3794 -109707.0904 296.9446 -161376.4697 -109351.5823 298.3804 -143.8376 -113.6915 760665.5614 5.2121 5.3104 PRESSURE: 1574000 185.259 52.6586 -4.30472 52.6584 -68.2499 -129.517 -4.30428 -129.517 29.2088 GPRESSURE: 1574000 154.366 -20.7483 -45.0772 215.542 -13.625 -128.067 -189.866 6.61085 92.2485 PRESSAVG: 1574000 43.3067 49.8954 -63.3711 49.8954 -36.4549 22.8935 -63.371 22.8935 26.1587 GPRESSAVG: 1574000 43.0016 52.1313 -65.7388 51.3235 -36.9167 21.8646 -63.2275 24.1505 26.8214 TIMING: 1574000 CPU: 4975.88, 0.00322458/step Wall: 4975.88, 0.00322458/step, 3.06873 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: 1574000 4036.8174 20330.1812 14464.3556 260.5247 -203306.8382 2748.9431 0.0000 0.0000 52008.8106 -109457.2056 298.8953 -161466.0162 -109088.6699 298.5966 48.7395 77.6633 760798.4287 11.0035 10.9688 PRESSURE: 1574200 -149.383 -2.05793 123.935 -2.05821 -270.675 -102.669 123.935 -102.669 -279.5 GPRESSURE: 1574200 -166.759 72.115 91.8019 -48.2142 -206.194 -54.3166 110.51 -156.498 -223.464 PRESSAVG: 1574200 -13.8898 -10.1678 37.7802 -10.1679 -10.3312 -5.9739 37.7802 -5.97398 10.324 GPRESSAVG: 1574200 -12.4024 -12.8394 39.575 -9.53425 -10.7548 -6.65795 39.4581 -6.32487 9.47065 TIMING: 1574200 CPU: 4976.52, 0.00319675/step Wall: 4976.52, 0.00319675/step, 3.04206 hours remaining, 236.160156 MB of memory in use. ENERGY: 1574200 4027.8921 20391.2868 14564.5236 245.3118 -203245.6914 2546.4411 0.0000 0.0000 52099.1883 -109371.0477 299.4148 -161470.2360 -109002.4763 298.6793 -233.1860 -198.8056 761243.9730 -4.6323 -4.5622 PRESSURE: 1574400 523.73 23.1904 256.094 23.1901 156.04 -131.427 256.095 -131.427 157.988 GPRESSURE: 1574400 515.629 -16.1086 303.74 53.256 163.741 -165.407 304.037 -220.055 247.96 PRESSAVG: 1574400 -43.5967 14.6299 38.5253 14.6299 -5.56765 12.7104 38.5253 12.7104 -20.2365 GPRESSAVG: 1574400 -44.7617 12.4694 37.1735 14.2848 -5.31355 14.2951 38.0035 12.3882 -19.3567 TIMING: 1574400 CPU: 4977.17, 0.00320674/step Wall: 4977.17, 0.00320674/step, 3.05139 hours remaining, 236.160156 MB of memory in use. ENERGY: 1574400 4011.3498 20548.5760 14493.7118 241.1249 -203744.7654 2962.1023 0.0000 0.0000 52021.4706 -109466.4301 298.9681 -161487.9007 -109109.7433 298.9362 279.2528 309.1102 759886.8689 -23.1336 -23.1440 PRESSURE: 1574600 -17.048 -25.0186 -159.519 -25.0189 -349.295 150.826 -159.519 150.825 -53.6945 GPRESSURE: 1574600 -39.149 -42.6921 -123.555 45.1348 -318.11 145.924 -110.056 64.1615 9.84766 PRESSAVG: 1574600 -24.8618 -14.4283 -5.15122 -14.4284 -23.845 -26.0091 -5.15124 -26.0091 -15.1517 GPRESSAVG: 1574600 -25.3999 -11.1979 -4.83802 -14.5413 -23.4647 -26.6164 -5.57902 -28.0097 -14.6691 TIMING: 1574600 CPU: 4977.81, 0.00320112/step Wall: 4977.81, 0.00320112/step, 3.04587 hours remaining, 236.160156 MB of memory in use. ENERGY: 1574600 3970.8472 20412.4438 14483.1867 259.1706 -203425.6320 2683.3925 0.0000 0.0000 52106.5760 -109510.0151 299.4572 -161616.5911 -109152.0039 298.7494 -140.0124 -115.8037 762066.5735 -21.2862 -21.1779 PRESSURE: 1574800 28.1304 43.2129 34.0233 43.2122 -80.2515 69.7243 34.022 69.724 -214.188 GPRESSURE: 1574800 24.2986 31.4022 19.5779 53.0372 -20.2107 20.9031 27.5646 92.7908 -192.127 PRESSAVG: 1574800 8.85669 -2.55765 -4.54621 -2.55758 -17.1962 21.9215 -4.54628 21.9215 -18.8437 GPRESSAVG: 1574800 8.51472 -3.97636 -4.30029 -1.80471 -15.9089 20.8959 -5.20633 25.3583 -19.3599 TIMING: 1574800 CPU: 4978.44, 0.00317573/step Wall: 4978.44, 0.00317573/step, 3.02153 hours remaining, 236.160156 MB of memory in use. ENERGY: 1574800 3963.3441 20582.7800 14543.5352 240.2211 -203473.0260 2753.1398 0.0000 0.0000 51836.6938 -109553.3120 297.9062 -161390.0058 -109184.8082 298.5201 -88.7696 -62.6797 762228.6205 -9.0611 -8.9180 PRESSURE: 1575000 -246.629 -181.995 264.928 -181.996 130.584 161.492 264.928 161.492 -6.34668 GPRESSURE: 1575000 -244.238 -85.8662 339.372 -181.423 161.389 169.549 145.917 155.594 24.4951 PRESSAVG: 1575000 34.9823 -60.4562 15.0688 -60.4562 -36.7138 5.30577 15.0688 5.30572 21.6908 GPRESSAVG: 1575000 35.4852 -59.5444 15.5946 -61.2893 -36.5363 6.10058 12.9643 1.12328 20.7188 TIMING: 1575000 CPU: 4979.08, 0.00317349/step Wall: 4979.08, 0.00317349/step, 3.01923 hours remaining, 236.160156 MB of memory in use. ENERGY: 1575000 4034.8897 20526.3489 14452.2272 222.6693 -203511.6689 2587.2457 0.0000 0.0000 52016.6883 -109671.5998 298.9406 -161688.2881 -109312.1378 298.6276 -40.7974 -19.4511 761363.9574 6.6531 6.5559 PRESSURE: 1575200 68.706 87.1775 -27.2535 87.1781 -74.9421 -116.618 -27.2533 -116.618 7.93178 GPRESSURE: 1575200 110.504 129.93 -1.91914 109.36 -98.1444 12.0122 100.021 -21.8 63.3635 PRESSAVG: 1575200 45.2131 12.9639 47.4008 12.9639 -12.0572 -27.1831 47.4008 -27.183 -1.41364 GPRESSAVG: 1575200 44.7042 11.7345 48.9788 12.9441 -12.4252 -26.1802 49.5831 -25.5556 -0.908532 TIMING: 1575200 CPU: 4979.71, 0.00317737/step Wall: 4979.71, 0.00317737/step, 3.02274 hours remaining, 236.160156 MB of memory in use. ENERGY: 1575200 3969.7332 20489.4633 14522.6958 229.4048 -203539.5584 2916.2948 0.0000 0.0000 51795.1668 -109616.7997 297.6675 -161411.9665 -109256.2100 298.7586 0.5652 25.2412 762709.3917 10.5807 10.4568 PRESSURE: 1575400 -59.2137 -38.622 106.391 -38.6217 19.3941 -57.5783 106.39 -57.5782 -335.542 GPRESSURE: 1575400 35.6579 -121.653 -27.3134 -69.282 54.8139 -57.5466 288.481 -155.767 -396.438 PRESSAVG: 1575400 27.6623 -44.0874 -31.915 -44.0875 -74.9854 -21.2188 -31.915 -21.2188 8.59955 GPRESSAVG: 1575400 29.2523 -44.0994 -34.0641 -44.5095 -76.4424 -21.9553 -29.6414 -20.9079 8.90413 TIMING: 1575400 CPU: 4980.35, 0.00318352/step Wall: 4980.35, 0.00318352/step, 3.02841 hours remaining, 236.160156 MB of memory in use. ENERGY: 1575400 4042.7208 20462.5512 14544.9300 247.4332 -203263.9605 2524.9843 0.0000 0.0000 52083.3852 -109357.9558 299.3239 -161441.3410 -108997.2469 298.8027 -125.1207 -101.9887 762613.8897 -12.9079 -12.7620 PRESSURE: 1575600 164.206 86.7781 29.2927 86.7782 -271.453 197.559 29.2926 197.56 -159.806 GPRESSURE: 1575600 216.828 -12.4334 42.8747 25.0591 -242.504 204.535 -43.2992 210.673 -136.845 PRESSAVG: 1575600 32.5627 -51.2132 24.2051 -51.2131 -31.4739 -6.80086 24.2051 -6.80094 9.29442 GPRESSAVG: 1575600 30.6199 -50.4999 24.4796 -50.5348 -29.6915 -6.86016 22.2089 -7.10202 9.75916 TIMING: 1575600 CPU: 4980.98, 0.00315158/step Wall: 4980.98, 0.00315158/step, 2.99785 hours remaining, 236.160156 MB of memory in use. ENERGY: 1575600 3902.9849 20650.5936 14535.4875 240.3374 -203339.1494 2848.2330 0.0000 0.0000 52047.1210 -109114.3920 299.1155 -161161.5130 -108754.4424 299.2141 -89.0176 -54.1736 762840.5913 3.4611 3.5625 PRESSURE: 1575800 -51.975 -120.034 96.1225 -120.033 -121.255 71.1936 96.123 71.1939 103.793 GPRESSURE: 1575800 -11.8689 -180.298 106.89 -78.0847 -95.4398 48.4055 160.769 37.7583 144.882 PRESSAVG: 1575800 71.0029 -42.8636 9.76551 -42.8636 -37.0542 -4.83894 9.76553 -4.83895 -1.70396 GPRESSAVG: 1575800 72.0692 -40.785 10.3518 -44.1478 -37.3338 -5.30131 8.36216 -2.54077 -2.3477 TIMING: 1575800 CPU: 4981.61, 0.00316532/step Wall: 4981.61, 0.00316532/step, 3.01075 hours remaining, 236.160156 MB of memory in use. ENERGY: 1575800 3910.0943 20534.3185 14562.3219 225.2574 -203143.6457 2627.6228 0.0000 0.0000 52176.3288 -109107.7021 299.8581 -161284.0308 -108743.1382 299.3038 -23.1455 12.5243 762316.4627 10.7483 10.7959 PRESSURE: 1576000 376.386 86.9836 -2.33278 86.9837 -284.13 -30.2493 -2.33236 -30.2495 38.4726 GPRESSURE: 1576000 294.285 93.6224 142.623 102.802 -153.909 -176.116 -201.825 -0.123918 93.0127 PRESSAVG: 1576000 22.7713 -9.64254 2.88969 -9.64251 -11.0002 -62.1485 2.88967 -62.1486 11.819 GPRESSAVG: 1576000 22.6791 -10.8967 3.92685 -8.97363 -11.5857 -61.9459 2.38123 -64.7983 12.4788 TIMING: 1576000 CPU: 4982.24, 0.00314507/step Wall: 4982.24, 0.00314507/step, 2.99132 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: 1576000 3961.4839 20576.7292 14539.7758 247.3057 -202953.5061 2643.3611 0.0000 0.0000 52053.5205 -108931.3298 299.1523 -160984.8503 -108570.1383 299.7627 43.5762 77.7961 762342.8131 7.8633 7.8574 PRESSURE: 1576200 -18.5091 176.82 -99.0117 176.82 -283.031 78.0044 -99.0117 78.0043 -2.26137 GPRESSURE: 1576200 -97.3222 309.276 -68.9172 320.843 -107.875 112.504 -122.349 151.951 -14.3953 PRESSAVG: 1576200 19.314 9.45614 -17.9622 9.45609 -38.9208 12.4239 -17.9622 12.4238 0.501946 GPRESSAVG: 1576200 18.9732 11.4684 -17.5537 8.69676 -39.0805 13.2388 -18.2906 12.9173 0.997922 TIMING: 1576200 CPU: 4982.88, 0.00318695/step Wall: 4982.88, 0.00318695/step, 3.03097 hours remaining, 236.160156 MB of memory in use. ENERGY: 1576200 3976.8811 20572.7577 14524.7311 254.9098 -202998.8104 2473.0721 0.0000 0.0000 52200.0413 -108996.4172 299.9944 -161196.4586 -108635.2154 299.6128 -101.2672 -73.1975 764463.6516 -6.3683 -6.3698 LDB: ============= START OF LOAD BALANCING ============== 4995.41 LDB: ============== END OF LOAD BALANCING =============== 4995.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4995.41 LDB: ============= START OF LOAD BALANCING ============== 4995.73 LDB: Largest compute 7037 load 0.031370 is 16.1% of average load 0.195406 LDB: Average compute 0.004385 is 2.2% of average load 0.195406 LDB: TIME 4995.73 LOAD: AVG 0.195406 MAX 0.217166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.984 MB LDB: TIME 4995.73 LOAD: AVG 0.195406 MAX 0.217166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 4995.73 LOAD: AVG 0.195406 MAX 0.217166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 4995.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4995.74 PRESSURE: 1576400 -79.4936 -178.547 -216.965 -178.548 -43.9357 -164.94 -216.964 -164.941 -157.759 GPRESSURE: 1576400 8.8514 -177.562 -225.19 -193.737 -47.7493 -149.235 -185.175 -213.365 -176.283 PRESSAVG: 1576400 42.0289 -24.6216 -40.2458 -24.6216 -28.8387 -28.7856 -40.2457 -28.7856 -1.97448 GPRESSAVG: 1576400 41.7419 -25.6118 -40.0166 -23.893 -27.7503 -28.9768 -38.0455 -29.0573 -2.22604 TIMING: 1576400 CPU: 4983.52, 0.00323421/step Wall: 4983.52, 0.00323421/step, 3.07573 hours remaining, 235.187500 MB of memory in use. ENERGY: 1576400 4040.5285 20483.7805 14610.4620 253.5203 -202937.7082 2473.0295 0.0000 0.0000 51909.0871 -109167.3002 298.3222 -161076.3873 -108807.1966 299.6755 -93.7293 -71.7271 763188.3113 3.7386 3.9218 PRESSURE: 1576600 -3.05771 19.7391 128.43 19.7381 377.638 65.7702 128.431 65.7696 -106.558 GPRESSURE: 1576600 70.6623 91.9819 36.8784 87.6321 331.192 -0.612134 115.419 66.3985 -42.9943 PRESSAVG: 1576600 1.40801 -5.25098 -3.25865 -5.251 16.4702 -2.51873 -3.2586 -2.5188 27.2314 GPRESSAVG: 1576600 3.50792 -5.71911 -4.76021 -6.03993 14.8944 -1.8421 -3.97263 -3.4276 26.8572 TIMING: 1576600 CPU: 4984.15, 0.00314606/step Wall: 4984.15, 0.00314606/step, 2.99172 hours remaining, 235.390625 MB of memory in use. ENERGY: 1576600 4002.1510 20410.1982 14494.8837 255.6644 -203619.8696 3125.6891 0.0000 0.0000 52098.4586 -109232.8247 299.4106 -161331.2833 -108886.3612 299.0072 89.3409 119.6200 761561.6412 15.0365 15.0865 PRESSURE: 1576800 -24.3775 18.8582 -53.0823 18.8581 19.5968 -32.6451 -53.0824 -32.6446 -459.684 GPRESSURE: 1576800 -1.54946 21.2911 -73.7111 41.023 121.301 -58.1004 21.1092 -115.899 -513.303 PRESSAVG: 1576800 44.9533 -36.4343 -15.1907 -36.4343 -13.652 -46.0453 -15.1907 -46.0452 -9.21089 GPRESSAVG: 1576800 43.6399 -36.0564 -15.9219 -34.6879 -13.0258 -45.7507 -12.9848 -48.0073 -8.74028 TIMING: 1576800 CPU: 4984.78, 0.00315586/step Wall: 4984.78, 0.00315586/step, 3.00087 hours remaining, 235.390625 MB of memory in use. ENERGY: 1576800 3931.2749 20416.5757 14583.0448 246.1850 -202819.9909 2469.9020 0.0000 0.0000 52109.5452 -109063.4633 299.4743 -161173.0085 -108703.9870 299.3237 -154.8217 -131.1838 761546.4677 7.3634 7.2913 PRESSURE: 1577000 7.87589 29.9182 9.78293 29.9181 -255.847 97.6726 9.78163 97.6723 -313.914 GPRESSURE: 1577000 36.1609 53.1851 51.525 99.1156 -206.214 128.242 51.6363 53.6351 -295.569 PRESSAVG: 1577000 52.3893 17.3721 -37.2369 17.372 -39.1732 -3.68239 -37.2369 -3.68241 -2.3452 GPRESSAVG: 1577000 51.6467 16.0742 -36.3047 16.4405 -38.8108 -5.00123 -38.0546 -1.20935 -2.07192 TIMING: 1577000 CPU: 4985.41, 0.00314709/step Wall: 4985.41, 0.00314709/step, 2.99235 hours remaining, 235.390625 MB of memory in use. ENERGY: 1577000 4050.4985 20411.8976 14566.9597 241.8483 -203222.0945 2642.3724 0.0000 0.0000 52301.7633 -109006.7548 300.5790 -161308.5181 -108642.9075 300.2121 -187.2952 -155.2072 761346.1511 3.6236 3.5880 PRESSURE: 1577200 8.14093 46.4506 129.088 46.4505 -152.096 -224.009 129.088 -224.009 2.55536 GPRESSURE: 1577200 98.4064 35.7619 89.282 17.8028 -232.235 -188.565 5.3939 -166.969 80.6804 PRESSAVG: 1577200 68.2789 -3.08038 -39.1228 -3.08035 -65.1446 -4.35285 -39.1228 -4.35289 -5.71841 GPRESSAVG: 1577200 68.9805 -3.8289 -39.2289 -2.74989 -65.5919 -4.36264 -41.4123 -2.95065 -5.75768 TIMING: 1577200 CPU: 4986.04, 0.00313438/step Wall: 4986.04, 0.00313438/step, 2.9801 hours remaining, 235.390625 MB of memory in use. ENERGY: 1577200 4015.0241 20334.3310 14443.9390 255.2199 -202720.6695 2387.7870 0.0000 0.0000 52216.2024 -109068.1660 300.0872 -161284.3684 -108696.2066 299.4884 -47.1331 -17.7161 763484.8308 -0.8613 -0.7897 PRESSURE: 1577400 -37.7016 145.28 13.4701 145.281 -93.3177 -80.2153 13.4705 -80.2153 9.78808 GPRESSURE: 1577400 44.6631 194.396 -27.9621 85.8993 -91.4098 -76.9489 11.6745 -92.9892 16.3604 PRESSAVG: 1577400 -10.3055 10.3734 -21.8185 10.3734 26.025 -47.4153 -21.8185 -47.4154 -5.48786 GPRESSAVG: 1577400 -9.27878 10.9615 -23.1635 9.87447 24.8926 -48.0479 -21.6292 -46.1859 -5.59927 TIMING: 1577400 CPU: 4986.67, 0.00316221/step Wall: 4986.67, 0.00316221/step, 3.00638 hours remaining, 235.390625 MB of memory in use. ENERGY: 1577400 3958.7990 20456.0686 14514.1511 237.3365 -203256.6196 2761.6506 0.0000 0.0000 52017.6879 -109310.9259 298.9464 -161328.6138 -108954.7566 299.3168 -40.4104 -10.1288 762917.3312 3.4105 3.3382 PRESSURE: 1577600 -81.7108 -90.997 -203.714 -90.9971 13.9358 -126.031 -203.714 -126.031 -218.485 GPRESSURE: 1577600 -73.2181 -125.033 -303.987 -33.1287 42.0295 -78.0192 -180.668 -159.314 -184.915 PRESSAVG: 1577600 12.8476 -28.6596 -54.7716 -28.6596 -18.2658 25.1625 -54.7716 25.1624 15.4921 GPRESSAVG: 1577600 12.5142 -28.1858 -54.6254 -26.9617 -17.8377 25.4496 -53.6889 24.9885 15.918 TIMING: 1577600 CPU: 4987.31, 0.003159/step Wall: 4987.31, 0.003159/step, 3.00316 hours remaining, 235.390625 MB of memory in use. ENERGY: 1577600 3967.0476 20530.3158 14514.0935 258.9047 -203337.4919 2787.2392 0.0000 0.0000 52068.9723 -109210.9189 299.2411 -161279.8912 -108852.1763 298.9645 -95.4200 -72.0345 761931.8045 3.3579 3.5315 PRESSURE: 1577800 203.53 -174.852 -32.4873 -174.851 -17.893 -4.92765 -32.488 -4.92786 393.137 GPRESSURE: 1577800 239.976 -253.577 -112.502 -15.5894 42.7512 36.7458 -31.6208 13.0379 357.937 PRESSAVG: 1577800 -0.392613 -62.4449 -11.7763 -62.445 -10.0947 -17.7243 -11.7762 -17.7243 10.9625 GPRESSAVG: 1577800 -0.518006 -62.7065 -11.3766 -63.3914 -9.08638 -16.8141 -11.4834 -18.4914 9.73586 TIMING: 1577800 CPU: 4987.94, 0.00317976/step Wall: 4987.94, 0.00317976/step, 3.02271 hours remaining, 235.390625 MB of memory in use. ENERGY: 1577800 3977.6896 20470.7596 14468.7861 246.1514 -203212.0872 2832.3070 0.0000 0.0000 52062.8830 -109153.5104 299.2061 -161216.3935 -108793.6192 299.2530 192.9246 213.5547 761236.5984 0.1584 0.0438 PRESSURE: 1578000 -16.3193 -123.374 -21.4567 -123.374 -81.7379 109.008 -21.4576 109.009 69.6751 GPRESSURE: 1578000 -19.0769 -95.1774 -51.8693 -173.713 -85.9323 159.192 -51.8062 -74.6176 145.434 PRESSAVG: 1578000 -17.7625 -46.1461 -10.1064 -46.146 45.5533 -53.9387 -10.1065 -53.9386 -0.639994 GPRESSAVG: 1578000 -17.2448 -44.4195 -11.4928 -46.9691 45.0033 -54.3617 -9.55468 -54.5918 -0.290778 TIMING: 1578000 CPU: 4988.58, 0.00318391/step Wall: 4988.58, 0.00318391/step, 3.02649 hours remaining, 235.390625 MB of memory 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 3994.9841 20482.4428 14552.2690 248.8916 -203387.8427 2737.6439 0.0000 0.0000 52387.2330 -108984.3783 301.0701 -161371.6113 -108614.6895 300.0663 -9.4607 13.4749 761232.1733 9.0503 9.1559 PRESSURE: 1578200 213.619 -25.9412 -137.267 -25.9415 -136.123 167.801 -137.268 167.801 -175.03 GPRESSURE: 1578200 243.443 42.3786 -129.212 -59.3251 -75.8217 227.986 -106.995 159.008 -168.346 PRESSAVG: 1578200 -72.8648 -93.1785 -27.5899 -93.1785 27.5056 40.1481 -27.59 40.1481 -3.14536 GPRESSAVG: 1578200 -72.3987 -91.3624 -28.118 -93.2072 27.7388 40.3771 -26.4015 38.6074 -3.65172 TIMING: 1578200 CPU: 4989.21, 0.00314559/step Wall: 4989.21, 0.00314559/step, 2.98989 hours remaining, 235.390625 MB of memory in use. ENERGY: 1578200 4107.5083 20218.8125 14556.0689 224.6657 -203187.0113 2764.1194 0.0000 0.0000 52422.7048 -108893.1316 301.2740 -161315.8364 -108519.1610 300.2557 -32.5112 -0.2416 761684.0133 -16.1682 -16.1039 PRESSURE: 1578400 164.116 -87.2237 64.962 -87.2234 203.926 27.2853 64.9621 27.2865 558.623 GPRESSURE: 1578400 307.212 -78.5575 14.413 -57.8313 192.813 66.1836 -21.4935 69.3943 490.823 PRESSAVG: 1578400 -65.5815 -55.9639 -21.4402 -55.9639 80.5025 -28.399 -21.4403 -28.3989 26.5014 GPRESSAVG: 1578400 -66.1993 -56.0276 -18.8696 -58.167 81.9508 -27.9549 -22.8128 -27.5105 25.9213 TIMING: 1578400 CPU: 4989.84, 0.00316868/step Wall: 4989.84, 0.00316868/step, 3.01165 hours remaining, 235.390625 MB of memory in use. ENERGY: 1578400 4030.2862 20410.3297 14485.6492 251.9291 -203925.4138 3451.3373 0.0000 0.0000 52131.7453 -109164.1370 299.6019 -161295.8823 -108796.4625 299.9084 308.8882 330.2828 762493.6891 13.8075 13.8909 PRESSURE: 1578600 108.603 -208.351 -136.651 -208.35 -91.9912 -80.4354 -136.651 -80.4362 -79.8919 GPRESSURE: 1578600 198.687 -215.152 -85.2079 -115.076 -112.579 -13.504 -1.11515 -22.7484 -91.7345 PRESSAVG: 1578600 -48.4311 -39.5709 22.1735 -39.5709 63.5266 -27.0153 22.1735 -27.0154 -1.15235 GPRESSAVG: 1578600 -48.9741 -42.2167 22.5402 -37.5414 62.1192 -26.809 21.5142 -27.1492 1.16268 TIMING: 1578600 CPU: 4990.48, 0.00319311/step Wall: 4990.48, 0.00319311/step, 3.03469 hours remaining, 235.390625 MB of memory in use. ENERGY: 1578600 3936.3481 20509.8308 14536.0216 251.4407 -203092.2572 2459.7990 0.0000 0.0000 52180.5192 -109218.2980 299.8822 -161398.8171 -108862.6949 299.2659 -21.0934 -1.8752 762707.8228 4.6477 4.7693 PRESSURE: 1578800 55.8648 67.2563 -142.177 67.2567 -293.041 86.277 -142.177 86.2768 -250.485 GPRESSURE: 1578800 67.8883 151.558 -163.054 150.498 -145.217 19.5992 -165.302 147.756 -294.699 PRESSAVG: 1578800 -18.5858 -22.6222 -2.22508 -22.6222 21.9368 -20.2031 -2.22508 -20.2031 -11.431 GPRESSAVG: 1578800 -18.0177 -23.1907 -1.75041 -20.5045 22.42 -20.6237 -1.854 -19.9952 -12.4933 TIMING: 1578800 CPU: 4991.12, 0.00319188/step Wall: 4991.12, 0.00319188/step, 3.03335 hours remaining, 235.390625 MB of memory in use. ENERGY: 1578800 3979.9166 20470.0738 14570.0287 238.9368 -203084.9534 2522.6535 0.0000 0.0000 51945.3883 -109357.9558 298.5309 -161303.3440 -108990.4354 299.1518 -162.5539 -124.0093 762482.3246 -2.6934 -2.6970 PRESSURE: 1579000 -160.396 -17.218 113.354 -17.2185 75.6132 -154.913 113.352 -154.913 -123.325 GPRESSURE: 1579000 -120.549 120.132 112.135 24.604 153.717 -238.842 114.678 -167.565 -150.801 PRESSAVG: 1579000 -12.6385 -34.0097 -20.5886 -34.0098 11.6758 -23.2647 -20.5887 -23.2647 -2.65026 GPRESSAVG: 1579000 -12.0739 -34.236 -21.3246 -35.1229 10.9767 -21.778 -20.6437 -23.1166 -2.48507 TIMING: 1579000 CPU: 4991.75, 0.00316838/step Wall: 4991.75, 0.00316838/step, 3.01084 hours remaining, 235.390625 MB of memory in use. ENERGY: 1579000 3988.8774 20579.3576 14602.7150 233.0961 -203810.7888 3136.4059 0.0000 0.0000 51907.8680 -109362.4688 298.3152 -161270.3368 -108994.5385 298.6688 -69.3695 -39.2110 761878.8435 -1.2043 -1.1941 PRESSURE: 1579200 -188.84 -75.1812 -137.69 -75.1812 209.903 -65.0319 -137.69 -65.0325 36.9107 GPRESSURE: 1579200 -149.808 -58.5202 -198.287 -2.89972 239.221 -20.9291 -186.74 -79.2203 59.2298 PRESSAVG: 1579200 -65.7438 -56.891 11.3043 -56.8909 44.1427 -14.5594 11.3042 -14.5594 4.08763 GPRESSAVG: 1579200 -65.9959 -58.2764 11.5618 -54.8678 44.2725 -16.3426 13.5993 -14.7992 4.37156 TIMING: 1579200 CPU: 4992.38, 0.00315853/step Wall: 4992.38, 0.00315853/step, 3.0013 hours remaining, 235.390625 MB of memory in use. ENERGY: 1579200 3871.4553 20485.1242 14458.1339 253.3578 -203243.7573 2778.3023 0.0000 0.0000 52025.7759 -109371.6080 298.9928 -161397.3839 -109021.0110 298.1980 19.3243 49.5478 763268.4061 -5.8378 -5.7839 PRESSURE: 1579400 -191.815 86.1653 -25.1738 86.1655 -397.255 -35.3074 -25.1745 -35.3084 39.3988 GPRESSURE: 1579400 -153.377 72.3601 -46.636 152.907 -352.194 -5.24463 131.451 44.1099 62.6129 PRESSAVG: 1579400 -10.1196 -17.0074 3.0138 -17.0074 35.9378 -45.8019 3.01387 -45.8018 -5.84022 GPRESSAVG: 1579400 -11.5057 -16.1932 3.95925 -18.5389 36.3806 -44.2078 0.979468 -46.1299 -4.78057 TIMING: 1579400 CPU: 4993.02, 0.00316878/step Wall: 4993.02, 0.00316878/step, 3.01086 hours remaining, 235.390625 MB of memory in use. ENERGY: 1579400 3972.1217 20316.0986 14525.5321 236.8783 -203270.8770 2765.0864 0.0000 0.0000 52133.9961 -109321.1637 299.6148 -161455.1598 -108956.9018 298.7048 -183.2238 -147.6526 762755.2434 6.6593 6.6981 PRESSURE: 1579600 -115.929 277.374 84.8294 277.374 -32.4575 74.9536 84.829 74.9543 112.316 GPRESSURE: 1579600 -48.3377 257.381 50.6781 257.786 35.4373 137.093 166.542 33.5549 51.1685 PRESSAVG: 1579600 -42.4849 -3.65635 -0.732386 -3.65629 35.0315 17.2704 -0.732347 17.2703 -3.1134 GPRESSAVG: 1579600 -41.5165 -2.57652 -1.94351 -5.31992 34.5435 16.5864 0.209199 18.6345 -3.3009 TIMING: 1579600 CPU: 4993.65, 0.00317845/step Wall: 4993.65, 0.00317845/step, 3.01988 hours remaining, 235.390625 MB of memory in use. ENERGY: 1579600 4037.4980 20546.5677 14567.0795 241.3542 -203488.6686 2816.7802 0.0000 0.0000 51842.6912 -109436.6976 297.9407 -161279.3889 -109081.5746 298.9215 -12.0234 12.7560 763161.3620 -3.5222 -3.4246 PRESSURE: 1579800 -135.273 -100.164 -56.711 -100.164 -68.4929 -7.30729 -56.7095 -7.30697 5.34668 GPRESSURE: 1579800 -120.786 -50.5461 2.43055 -105.979 -115.142 -45.8315 -123.277 83.921 112.59 PRESSAVG: 1579800 -34.3872 15.7041 -13.5957 15.7041 13.3708 -26.3548 -13.5956 -26.3547 2.39426 GPRESSAVG: 1579800 -34.8391 16.812 -13.6417 16.5905 12.8063 -26.0148 -13.6291 -27.1707 3.42842 TIMING: 1579800 CPU: 4994.29, 0.00318278/step Wall: 4994.29, 0.00318278/step, 3.02382 hours remaining, 235.390625 MB of memory in use. ENERGY: 1579800 4003.3147 20367.1626 14497.5810 252.8507 -203105.5912 2744.4573 0.0000 0.0000 51840.6097 -109399.6153 297.9287 -161240.2250 -109049.8273 298.6236 -66.1398 -41.1127 765266.1204 -6.2074 -6.2015 PRESSURE: 1580000 9.01163 -224.074 -18.9849 -224.074 67.6079 -35.0573 -18.9848 -35.057 245.49 GPRESSURE: 1580000 70.872 -58.9405 74.6773 -200.898 70.0076 -91.7286 31.54 25.6852 270.978 PRESSAVG: 1580000 3.46625 -50.2558 -17.7683 -50.2558 4.08952 -24.0167 -17.7683 -24.0168 15.1337 GPRESSAVG: 1580000 4.36991 -49.6951 -17.1333 -52.42 3.66566 -25.192 -17.8214 -23.9187 14.7171 TIMING: 1580000 CPU: 4994.93, 0.00318488/step Wall: 4994.93, 0.00318488/step, 3.02564 hours remaining, 235.390625 MB of memory 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 3925.5280 20682.2458 14520.7044 226.1436 -203117.7283 2761.5114 0.0000 0.0000 51974.6632 -109026.9319 298.6991 -161001.5951 -108669.4784 298.4881 107.3699 137.2858 765337.2974 7.5632 7.5842 PRESSURE: 1580200 -40.7694 -115.88 189.973 -115.88 10.0299 54.7233 189.974 54.7244 354.849 GPRESSURE: 1580200 -11.8314 -101.499 146.584 20.8494 107.155 47.6887 203.744 63.5927 313.69 PRESSAVG: 1580200 -28.5287 -22.4959 -13.6765 -22.4959 59.2238 31.1793 -13.6765 31.1793 -11.2769 GPRESSAVG: 1580200 -28.9646 -25.4222 -14.527 -19.6237 61.33 31.6199 -13.0766 30.4606 -13.34 TIMING: 1580200 CPU: 4995.57, 0.00321599/step Wall: 4995.57, 0.00321599/step, 3.05502 hours remaining, 235.390625 MB of memory in use. ENERGY: 1580200 3968.5221 20505.1496 14487.3239 254.1184 -203156.9234 2887.4500 0.0000 0.0000 52122.0746 -108932.2849 299.5463 -161054.3595 -108576.8129 299.4100 108.0366 136.3377 763808.0896 6.4727 6.3418 LDB: ============= START OF LOAD BALANCING ============== 5008.11 LDB: ============== END OF LOAD BALANCING =============== 5008.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5008.11 LDB: ============= START OF LOAD BALANCING ============== 5008.43 LDB: Largest compute 7037 load 0.031217 is 16.0% of average load 0.195456 LDB: Average compute 0.004386 is 2.2% of average load 0.195456 LDB: TIME 5008.43 LOAD: AVG 0.195456 MAX 0.216629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.957 MB LDB: TIME 5008.43 LOAD: AVG 0.195456 MAX 0.216629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.027 MB LDB: TIME 5008.43 LOAD: AVG 0.195456 MAX 0.216629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.027 MB LDB: ============== END OF LOAD BALANCING =============== 5008.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5008.44 PRESSURE: 1580400 -49.6733 172.058 -51.3895 172.057 -154.335 -109.958 -51.3894 -109.958 205.977 GPRESSURE: 1580400 60.8315 136.014 -54.0876 161.528 -146.824 -111.005 -73.2821 -120.893 172.296 PRESSAVG: 1580400 15.0546 -19.8663 23.1751 -19.8663 -56.0935 9.18594 23.1751 9.18596 -21.6257 GPRESSAVG: 1580400 14.3526 -18.6688 24.4466 -22.0836 -56.4964 9.71629 22.1735 9.95962 -20.7531 TIMING: 1580400 CPU: 4996.22, 0.0032524/step Wall: 4996.22, 0.0032524/step, 3.08942 hours remaining, 235.445312 MB of memory in use. ENERGY: 1580400 3945.1087 20522.6754 14489.3233 253.1271 -202862.7562 2600.3305 0.0000 0.0000 52150.2486 -108901.9425 299.7082 -161052.1911 -108545.6569 299.6400 0.6564 28.7681 764852.4026 -20.8882 -20.9656 PRESSURE: 1580600 -84.8712 -115.599 -148.937 -115.598 21.4024 -43.6998 -148.937 -43.7003 -175.265 GPRESSURE: 1580600 -102.213 -67.0727 -112.625 -44.1731 68.8645 -22.5347 -205.097 -102.549 -129.711 PRESSAVG: 1580600 34.9943 -33.8235 -52.3568 -33.8236 -31.5257 43.0492 -52.3568 43.0493 9.07887 GPRESSAVG: 1580600 34.7015 -32.866 -53.4042 -32.3696 -32.4863 41.5218 -51.7639 41.0074 10.1692 TIMING: 1580600 CPU: 4996.86, 0.00317728/step Wall: 4996.86, 0.00317728/step, 3.01788 hours remaining, 235.648438 MB of memory in use. ENERGY: 1580600 3919.4444 20433.2816 14514.4785 253.8398 -203041.4605 2619.8124 0.0000 0.0000 52096.0216 -109204.5822 299.3966 -161300.6038 -108834.4070 299.5573 -79.5781 -54.3533 764607.8690 4.1825 4.1281 PRESSURE: 1580800 -71.8754 176.717 7.43986 176.716 230.004 225.019 7.43905 225.019 -471.203 GPRESSURE: 1580800 29.652 114.81 0.529415 217.919 158.5 169.57 222.999 194.765 -419.286 PRESSAVG: 1580800 52.3857 -16.7892 -7.80527 -16.7892 -9.12533 16.0328 -7.80524 16.0327 -32.8879 GPRESSAVG: 1580800 52.7401 -18.6058 -6.2426 -16.1049 -9.15413 17.7257 -5.74781 17.0602 -33.7656 TIMING: 1580800 CPU: 4997.5, 0.0032028/step Wall: 4997.5, 0.0032028/step, 3.04194 hours remaining, 235.648438 MB of memory in use. ENERGY: 1580800 3956.8928 20491.9690 14547.9555 242.3400 -203388.1128 2798.2353 0.0000 0.0000 51904.1949 -109446.5254 298.2941 -161350.7204 -109081.7952 298.8084 -104.3580 -77.0447 764056.1848 3.4575 3.2734 PRESSURE: 1581000 -93.1855 -34.9066 -267.293 -34.9062 -499.66 -62.913 -267.293 -62.9122 -391.931 GPRESSURE: 1581000 -163.955 20.3736 -219.296 -7.81865 -422.205 -129.759 -268.246 -19.8694 -316.089 PRESSAVG: 1581000 11.8416 64.1229 32.3399 64.1229 -13.8393 -15.9479 32.3399 -15.9477 -6.50697 GPRESSAVG: 1581000 11.8402 65.8288 32.0972 62.798 -14.2601 -17.3558 30.3881 -14.3839 -6.40229 TIMING: 1581000 CPU: 4998.13, 0.00318599/step Wall: 4998.13, 0.00318599/step, 3.0258 hours remaining, 235.648438 MB of memory in use. ENERGY: 1581000 4017.3838 20383.3652 14564.7985 236.4150 -203510.7130 2712.5808 0.0000 0.0000 52093.8137 -109502.3560 299.3839 -161596.1697 -109145.4474 298.1169 -328.2590 -300.7497 763790.0648 -2.8349 -2.9407 PRESSURE: 1581200 165 -111.467 24.3225 -111.467 -188.424 -47.2485 24.322 -47.2488 -146.474 GPRESSURE: 1581200 133.935 -138.541 72.2391 -81.9557 -76.4588 -53.9758 -73.5895 61.9568 -158.242 PRESSAVG: 1581200 -49.7308 -16.7505 21.8769 -16.7505 19.1535 60.194 21.8769 60.1939 0.551244 GPRESSAVG: 1581200 -50.2885 -16.8691 21.7332 -16.4671 18.7874 60.5851 23.2476 60.2126 1.28118 TIMING: 1581200 CPU: 4998.77, 0.00317273/step Wall: 4998.77, 0.00317273/step, 3.01304 hours remaining, 235.718750 MB of memory in use. ENERGY: 1581200 4031.7427 20503.0996 14540.4429 252.6414 -203635.1794 2702.0700 0.0000 0.0000 51994.5170 -109610.6658 298.8132 -161605.1828 -109242.6313 298.4492 -56.6327 -33.5886 761022.5114 -10.0087 -10.0733 PRESSURE: 1581400 190.157 -25.6188 184.825 -25.6195 216.628 -14.4418 184.825 -14.4416 255.45 GPRESSURE: 1581400 265.275 -83.7163 256.272 -42.7172 238.129 110.261 133.076 -91.2339 246.239 PRESSAVG: 1581400 -46.6289 -52.085 45.983 -52.0851 40.6448 34.0352 45.983 34.0353 8.53586 GPRESSAVG: 1581400 -46.5998 -55.0968 45.7556 -50.6469 40.9477 34.03 44.8282 35.0234 7.40772 TIMING: 1581400 CPU: 4999.4, 0.00317222/step Wall: 4999.4, 0.00317222/step, 3.01238 hours remaining, 235.718750 MB of memory in use. ENERGY: 1581400 4013.4033 20702.3642 14535.9335 239.7292 -203779.3429 2881.9813 0.0000 0.0000 51762.6077 -109643.3237 297.4804 -161405.9314 -109290.0176 298.6694 220.7449 249.8809 761326.6170 0.8506 0.5852 PRESSURE: 1581600 -240.098 -20.5502 -29.524 -20.5507 -171.792 151.987 -29.5246 151.986 -375.679 GPRESSURE: 1581600 -198.495 -118.595 -3.38501 -67.2733 -162.812 188.545 68.0469 -24.2939 -350.498 PRESSAVG: 1581600 7.84677 16.8153 17.2967 16.8153 -31.0789 54.0965 17.2967 54.0966 -2.00507 GPRESSAVG: 1581600 8.71879 18.3131 16.7978 15.6108 -31.3628 54.8491 17.1632 50.3285 -2.92166 TIMING: 1581600 CPU: 5000.04, 0.0031813/step Wall: 5000.04, 0.0031813/step, 3.02082 hours remaining, 235.921875 MB of memory in use. ENERGY: 1581600 3946.9336 20514.7209 14586.2372 241.9992 -203615.2722 2707.4108 0.0000 0.0000 52001.3180 -109616.6525 298.8523 -161617.9705 -109254.0532 298.0609 -262.5229 -237.2684 759780.5150 -8.4124 -8.5219 PRESSURE: 1581800 80.5332 -18.3112 -48.5525 -18.3109 -205.184 35.8137 -48.5524 35.8129 -91.3709 GPRESSURE: 1581800 63.9461 84.4492 -108.942 64.4766 -72.9925 -31.8454 96.416 85.6534 -118.722 PRESSAVG: 1581800 14.3808 -33.0742 -26.2376 -33.0742 30.5886 61.9947 -26.2377 61.9947 -4.67125 GPRESSAVG: 1581800 15.5021 -30.6376 -24.6056 -34.3244 29.2812 63.0674 -27.7979 62.1624 -3.86154 TIMING: 1581800 CPU: 5000.67, 0.00318353/step Wall: 5000.67, 0.00318353/step, 3.02276 hours remaining, 235.921875 MB of memory in use. ENERGY: 1581800 3899.7440 20612.7388 14627.5082 227.9025 -203603.3127 2675.4110 0.0000 0.0000 51991.7877 -109568.2206 298.7975 -161560.0083 -109207.0218 298.6166 -72.0073 -42.5895 761776.5460 13.4327 13.6406 PRESSURE: 1582000 -84.8552 26.8557 -98.6535 26.8555 -28.2046 16.9767 -98.6532 16.9763 -188.725 GPRESSURE: 1582000 -5.30782 59.3178 -21.3026 21.6184 -38.8486 57.175 -99.585 40.7071 -157.73 PRESSAVG: 1582000 25.1697 -90.2743 17.089 -90.2742 0.570852 18.4411 17.089 18.4411 9.15452 GPRESSAVG: 1582000 23.2155 -92.1578 17.5871 -89.2152 2.42408 17.637 18.4098 20.8307 9.96196 TIMING: 1582000 CPU: 5001.31, 0.00316488/step Wall: 5001.31, 0.00316488/step, 3.00488 hours remaining, 235.921875 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: 1582000 4057.1872 20695.3554 14516.4754 235.6771 -203361.2251 2627.0011 0.0000 0.0000 51744.4552 -109485.0736 297.3761 -161229.5288 -109130.1093 298.7311 -100.5950 -67.2956 760923.8639 11.6317 11.8672 PRESSURE: 1582200 -328.554 -14.4047 234.912 -14.4047 222.768 144.72 234.912 144.719 -13.9393 GPRESSURE: 1582200 -244.338 -100.176 208.094 -23.7933 245.232 86.6407 56.1585 148.409 -25.1295 PRESSAVG: 1582200 56.4963 -84.3632 16.5728 -84.3633 -20.5608 6.69635 16.5728 6.69642 2.92148 GPRESSAVG: 1582200 57.3509 -84.0836 16.1482 -84.8599 -21.768 5.32899 15.6689 6.33727 2.79853 TIMING: 1582200 CPU: 5001.94, 0.00315324/step Wall: 5001.94, 0.00315324/step, 2.99365 hours remaining, 235.921875 MB of memory in use. ENERGY: 1582200 3911.5438 20552.2219 14575.4200 252.7521 -203338.3381 2477.5577 0.0000 0.0000 51765.8740 -109802.9686 297.4992 -161568.8426 -109449.6153 298.1372 -39.9085 -8.0783 761493.1586 12.9523 12.7938 PRESSURE: 1582400 -283.487 14.4309 116.603 14.4305 34.2042 202.371 116.603 202.371 -460.817 GPRESSURE: 1582400 -296.071 -53.4854 72.6681 19.5802 41.467 137.488 96.6001 91.0932 -365.331 PRESSAVG: 1582400 2.4096 -9.88602 -10.6156 -9.88607 -13.7276 63.9311 -10.6157 63.9311 -9.83488 GPRESSAVG: 1582400 2.03318 -10.3768 -12.1296 -9.52295 -13.3135 65.0803 -10.6232 62.5464 -9.69101 TIMING: 1582400 CPU: 5002.57, 0.00317152/step Wall: 5002.57, 0.00317152/step, 3.01083 hours remaining, 235.921875 MB of memory in use. ENERGY: 1582400 3948.8237 20556.8556 14469.1138 252.5990 -203427.1312 2730.0814 0.0000 0.0000 51913.8635 -109555.7942 298.3497 -161469.6577 -109205.8639 298.2899 -236.6999 -206.6452 762639.5841 -7.0510 -6.9904 PRESSURE: 1582600 -98.6789 12.1692 -235.106 12.1686 -81.2381 42.771 -235.105 42.7712 -196.199 GPRESSURE: 1582600 -0.877325 95.3594 -169.241 4.64284 -124.115 35.1326 -205.246 35.7818 -172.085 PRESSAVG: 1582600 -38.1156 1.47106 -41.417 1.47112 -29.6398 -24.1591 -41.417 -24.1591 -2.30364 GPRESSAVG: 1582600 -38.1192 0.427589 -39.5009 1.55713 -29.3519 -23.2698 -39.0509 -23.279 -2.05473 TIMING: 1582600 CPU: 5003.21, 0.0031979/step Wall: 5003.21, 0.0031979/step, 3.0357 hours remaining, 235.921875 MB of memory in use. ENERGY: 1582600 4055.1066 20580.7319 14551.1685 241.9130 -203461.0069 2780.2295 0.0000 0.0000 52065.0522 -109186.8053 299.2186 -161251.8575 -108831.2049 298.4413 -125.3720 -99.0259 761978.8321 -23.3530 -23.1753 PRESSURE: 1582800 -238.201 -54.3619 248.34 -54.3604 -219.551 -12.1061 248.34 -12.1057 288.032 GPRESSURE: 1582800 -124.996 38.9711 253.12 30.607 -237.531 9.18635 93.5365 -47.1506 285.383 PRESSAVG: 1582800 3.59444 22.3885 22.703 22.3884 10.511 -42.9601 22.703 -42.9601 -9.0387 GPRESSAVG: 1582800 3.78242 24.3798 21.1843 20.5021 9.61772 -45.4696 19.6405 -42.4445 -8.36388 TIMING: 1582800 CPU: 5003.85, 0.00320003/step Wall: 5003.85, 0.00320003/step, 3.03754 hours remaining, 235.921875 MB of memory in use. ENERGY: 1582800 4009.2684 20506.8559 14585.8552 244.9347 -203524.6185 2598.3870 0.0000 0.0000 52385.2950 -109194.0223 301.0590 -161579.3173 -108832.2123 299.9174 -56.5731 -25.7144 761014.2182 1.6889 1.6788 PRESSURE: 1583000 -260.67 -36.7011 128.813 -36.7008 -247.546 87.5281 128.813 87.5279 -93.797 GPRESSURE: 1583000 -275.427 -21.5636 81.1413 -31.7692 -145.472 179.204 269.263 -43.9664 -95.345 PRESSAVG: 1583000 -18.8057 -28.8687 67.6466 -28.8687 22.8871 -13.7517 67.6465 -13.7518 3.3619 GPRESSAVG: 1583000 -19.0161 -28.4536 68.4511 -28.9419 23.563 -13.5463 69.7726 -13.0119 2.73787 TIMING: 1583000 CPU: 5004.49, 0.00319653/step Wall: 5004.49, 0.00319653/step, 3.03404 hours remaining, 235.921875 MB of memory in use. ENERGY: 1583000 4023.0837 20579.2828 14468.9091 249.9266 -203151.1181 2503.7637 0.0000 0.0000 51996.3259 -109329.8263 298.8236 -161326.1522 -108972.2045 299.2164 -200.6709 -172.0813 761875.4100 2.4811 2.4283 PRESSURE: 1583200 -129.762 -173.483 -26.483 -173.483 219.483 -145.634 -26.4829 -145.636 -79.7521 GPRESSURE: 1583200 -177.33 -122.081 -119.824 -70.3051 271.103 -171.033 1.41001 -188.146 -1.61901 PRESSAVG: 1583200 -37.153 -27.5339 34.1698 -27.534 37.5662 -5.01593 34.1698 -5.01597 1.02426 GPRESSAVG: 1583200 -38.379 -26.2433 34.2689 -28.8065 37.1786 -5.09739 36.3517 -6.46196 2.24803 TIMING: 1583200 CPU: 5005.13, 0.00317873/step Wall: 5005.13, 0.00317873/step, 3.01697 hours remaining, 235.921875 MB of memory in use. ENERGY: 1583200 3973.2058 20534.4690 14492.5671 273.0870 -203548.6745 2963.2075 0.0000 0.0000 51972.8380 -109339.3001 298.6886 -161312.1381 -108970.7314 299.3517 3.3230 30.7181 763445.0317 0.4791 0.3492 PRESSURE: 1583400 -125.61 -70.4124 155.712 -70.4121 -209.78 36.4312 155.713 36.4309 35.2015 GPRESSURE: 1583400 -77.4796 -222.697 163.982 -25.1188 -200.283 99.9797 202.298 -17.8461 54.4806 PRESSAVG: 1583400 -56.7367 -12.8252 7.55309 -12.8251 45.368 -13.4553 7.55306 -13.4553 0.307152 GPRESSAVG: 1583400 -54.9909 -16.336 8.54799 -9.4831 44.9736 -12.1391 4.26763 -12.673 -0.464747 TIMING: 1583400 CPU: 5005.76, 0.00317921/step Wall: 5005.76, 0.00317921/step, 3.01725 hours remaining, 235.921875 MB of memory in use. ENERGY: 1583400 4025.9525 20492.8161 14516.8113 261.2381 -203294.5371 2714.2646 0.0000 0.0000 52082.7416 -109200.7128 299.3202 -161283.4544 -108827.8579 299.0703 -100.0630 -74.4275 763563.3973 -3.6872 -3.4940 PRESSURE: 1583600 -61.6644 -180.099 3.54583 -180.099 27.3522 14.351 3.5457 14.3496 -23.8329 GPRESSURE: 1583600 -23.6385 -124.219 -46.9662 -172.242 27.3471 4.0992 -27.4356 -1.23443 51.039 PRESSAVG: 1583600 -72.458 32.8262 23.6952 32.8262 30.3345 47.8418 23.6952 47.8418 -9.56214 GPRESSAVG: 1583600 -72.2991 33.6818 21.687 30.9385 29.6481 47.1817 26.9616 48.2321 -9.04516 TIMING: 1583600 CPU: 5006.4, 0.00319361/step Wall: 5006.4, 0.00319361/step, 3.03074 hours remaining, 235.921875 MB of memory in use. ENERGY: 1583600 4022.1767 20548.7463 14522.8414 243.2878 -203452.6934 2831.0714 0.0000 0.0000 52149.2809 -109135.2888 299.7026 -161284.5697 -108774.3229 299.8507 -19.3817 18.2492 763540.0210 -17.2286 -17.2320 PRESSURE: 1583800 -148.236 -92.8273 7.87455 -92.8274 -90.7748 22.808 7.8741 22.8073 91.9448 GPRESSURE: 1583800 -43.0805 -107.166 5.8189 14.8251 -64.0053 -11.0253 56.2241 27.987 65.3477 PRESSAVG: 1583800 11.3 -58.174 -16.7567 -58.1739 -28.059 31.9225 -16.7567 31.9225 -0.037524 GPRESSAVG: 1583800 10.561 -59.7026 -15.6978 -56.9066 -26.7815 30.5864 -17.9519 31.8614 -0.0693093 TIMING: 1583800 CPU: 5007.04, 0.00321065/step Wall: 5007.04, 0.00321065/step, 3.04673 hours remaining, 235.921875 MB of memory in use. ENERGY: 1583800 4002.2714 20450.0194 14476.4328 262.2799 -203233.3069 2743.0747 0.0000 0.0000 52240.4488 -109058.7800 300.2266 -161299.2288 -108700.5168 299.7545 -49.0222 -13.9127 763028.5554 -5.5988 -5.4299 PRESSURE: 1584000 -208.798 3.94177 84.4251 3.94137 -150.686 3.54717 84.4247 3.54718 -195.539 GPRESSURE: 1584000 -144.446 123.3 107.458 94.2376 -88.3761 45.008 -24.6986 -34.5853 -236.354 PRESSAVG: 1584000 -39.1076 -25.267 7.00699 -25.2671 11.4952 33.7693 7.00702 33.7692 4.39927 GPRESSAVG: 1584000 -37.3175 -24.5126 6.91352 -25.9359 10.742 34.6566 6.26827 34.9802 3.76328 TIMING: 1584000 CPU: 5007.68, 0.00316523/step Wall: 5007.68, 0.00316523/step, 3.00345 hours remaining, 235.921875 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: 1584000 4029.5340 20653.1891 14485.4660 258.4132 -203209.0646 2499.7477 0.0000 0.0000 52126.2759 -109156.4387 299.5704 -161282.7147 -108798.1335 299.7180 -185.0078 -156.3922 761819.1843 -7.7377 -7.6041 PRESSURE: 1584200 404.839 -101.45 -86.0175 -101.45 287.935 -58.3328 -86.0173 -58.3344 372.239 GPRESSURE: 1584200 516.701 -103.769 -96.5221 -154.617 280.715 -166.41 -137.368 42.3617 358.694 PRESSAVG: 1584200 -30.4131 7.69497 4.99832 7.69501 24.1463 37.0444 4.99839 37.0444 1.91208 GPRESSAVG: 1584200 -31.5004 7.07959 4.45671 8.41433 26.2135 37.5805 3.7917 36.2481 1.61737 TIMING: 1584200 CPU: 5008.32, 0.00319385/step Wall: 5008.32, 0.00319385/step, 3.03043 hours remaining, 235.921875 MB of memory in use. ENERGY: 1584200 3941.6766 20484.8580 14467.6696 257.1962 -203604.0715 2871.6160 0.0000 0.0000 52285.9036 -109295.1515 300.4878 -161581.0552 -108935.6759 299.5767 355.0044 385.3702 760897.9370 -1.4516 -1.2232 LDB: ============= START OF LOAD BALANCING ============== 5020.85 LDB: ============== END OF LOAD BALANCING =============== 5020.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5020.85 LDB: ============= START OF LOAD BALANCING ============== 5021.17 LDB: Largest compute 7037 load 0.032910 is 16.8% of average load 0.195415 LDB: Average compute 0.004369 is 2.2% of average load 0.195415 LDB: TIME 5021.17 LOAD: AVG 0.195415 MAX 0.215961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.363 MB LDB: TIME 5021.17 LOAD: AVG 0.195415 MAX 0.215961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.441 MB LDB: TIME 5021.17 LOAD: AVG 0.195415 MAX 0.215961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.441 MB LDB: ============== END OF LOAD BALANCING =============== 5021.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5021.18 PRESSURE: 1584400 -98.9521 5.91992 -68.6851 5.92038 -572.299 -74.4594 -68.6843 -74.4592 90.3471 GPRESSURE: 1584400 -111.709 162.613 -91.1967 -30.4278 -465.865 -107.397 100.383 -66.9079 99.9284 PRESSAVG: 1584400 66.9898 -18.2806 6.55375 -18.2806 -19.3776 21.4733 6.5538 21.4734 21.0107 GPRESSAVG: 1584400 67.5153 -17.7575 6.16145 -19.3589 -20.7725 21.8151 8.18289 20.4839 21.9776 TIMING: 1584400 CPU: 5008.96, 0.00324369/step Wall: 5008.96, 0.00324369/step, 3.07754 hours remaining, 235.902344 MB of memory in use. ENERGY: 1584400 3970.6666 20529.5635 14492.6382 258.2567 -203484.4084 2620.9433 0.0000 0.0000 52249.1996 -109363.1405 300.2769 -161612.3401 -108991.5146 299.6826 -193.6347 -159.2151 761224.7534 22.8743 22.9068 PRESSURE: 1584600 -51.2462 -207.641 33.7703 -207.641 158.499 94.4487 33.7698 94.4478 -361.918 GPRESSURE: 1584600 -17.6906 -204.328 -51.6399 -186.976 122.445 -6.7563 -11.6385 89.7428 -286.146 PRESSAVG: 1584600 30.9474 -16.5159 -35.3724 -16.5159 -11.0714 -30.9833 -35.3724 -30.9833 7.47663 GPRESSAVG: 1584600 32.0018 -15.4611 -34.4132 -14.8838 -11.5526 -30.9335 -35.9868 -29.2017 6.4746 TIMING: 1584600 CPU: 5009.6, 0.00316159/step Wall: 5009.6, 0.00316159/step, 2.99947 hours remaining, 235.902344 MB of memory in use. ENERGY: 1584600 4046.4159 20592.9816 14474.8809 250.7265 -203861.7364 2878.8118 0.0000 0.0000 52006.6202 -109611.2994 298.8828 -161617.9196 -109250.1113 299.2116 -84.8882 -60.4639 760627.6346 9.1175 8.9746 PRESSURE: 1584800 17.2345 50.6896 124.308 50.6899 -421.747 -125.984 124.308 -125.984 230.359 GPRESSURE: 1584800 8.33242 -82.0177 204.231 -25.791 -363.989 -65.0271 55.8821 -139.288 258.824 PRESSAVG: 1584800 43.2738 -70.2297 -17.5966 -70.2297 -64.8625 -28.1871 -17.5967 -28.1871 -18.9899 GPRESSAVG: 1584800 41.9466 -72.4687 -17.5589 -71.7246 -63.0378 -29.1064 -17.692 -30.8523 -19.573 TIMING: 1584800 CPU: 5010.23, 0.00318407/step Wall: 5010.23, 0.00318407/step, 3.02062 hours remaining, 235.902344 MB of memory in use. ENERGY: 1584800 4038.2160 20490.9013 14536.3810 236.3764 -203631.9892 2723.2210 0.0000 0.0000 52058.9348 -109547.9588 299.1834 -161606.8936 -109197.9572 298.8647 -58.0510 -32.2774 763294.2866 -13.5262 -13.5547 PRESSURE: 1585000 16.869 15.123 52.3768 15.1237 48.4577 -201.978 52.3778 -201.977 181.388 GPRESSURE: 1585000 34.3336 -46.7137 -40.6153 119.483 54.3244 -164.826 -37.9143 -200.075 247.797 PRESSAVG: 1585000 -23.8557 -17.3737 -8.84154 -17.3737 3.26077 -7.55261 -8.84156 -7.55264 15.9237 GPRESSAVG: 1585000 -23.6957 -17.9812 -9.95407 -15.9867 2.45418 -6.8104 -9.03308 -4.32901 16.1824 TIMING: 1585000 CPU: 5010.87, 0.00318547/step Wall: 5010.87, 0.00318547/step, 3.02177 hours remaining, 235.902344 MB of memory in use. ENERGY: 1585000 3987.3704 20546.1149 14522.6908 263.8027 -203890.5798 2909.3435 0.0000 0.0000 52111.1772 -109550.0802 299.4837 -161661.2574 -109190.7164 298.8511 82.2382 112.1518 762209.2011 -1.5571 -1.6864 PRESSURE: 1585200 184.752 -193.763 255.749 -193.763 53.5422 -34.4397 255.748 -34.4401 372.911 GPRESSURE: 1585200 258.245 -126.396 346.756 -231.083 32.4967 -63.229 232.597 -41.0318 411.184 PRESSAVG: 1585200 -14.2532 33.3297 3.50861 33.3297 -2.03187 -39.9841 3.50856 -39.9841 -5.37519 GPRESSAVG: 1585200 -14.9334 35.5992 4.60189 32.3878 -3.12484 -40.2099 3.70862 -38.9529 -3.56514 TIMING: 1585200 CPU: 5011.51, 0.00318688/step Wall: 5011.51, 0.00318688/step, 3.02294 hours remaining, 235.902344 MB of memory in use. ENERGY: 1585200 3928.4083 20481.2408 14597.9845 258.0981 -203815.3014 2938.6077 0.0000 0.0000 52018.1093 -109592.8527 298.9488 -161610.9620 -109225.9399 298.8494 203.7352 233.9752 762831.8985 -7.2201 -7.2078 PRESSURE: 1585400 -105.001 -58.8999 212.171 -58.8991 -154.336 -11.8729 212.17 -11.872 -269.478 GPRESSURE: 1585400 -30.3721 -79.8771 270.722 43.8434 -120.211 43.0749 135.745 -88.2258 -300.68 PRESSAVG: 1585400 12.0262 6.61254 -11.1097 6.61254 -10.2903 -25.6049 -11.1098 -25.6049 -3.0543 GPRESSAVG: 1585400 13.6209 6.48141 -10.6616 6.05905 -10.5655 -24.4251 -11.0279 -29.9174 -4.68031 TIMING: 1585400 CPU: 5012.15, 0.00320281/step Wall: 5012.15, 0.00320281/step, 3.03787 hours remaining, 235.902344 MB of memory in use. ENERGY: 1585400 3948.0691 20724.7240 14585.7014 236.2728 -203768.6976 2924.9240 0.0000 0.0000 51813.4524 -109535.5538 297.7726 -161349.0063 -109174.1312 299.1520 -176.2715 -150.4210 762475.2919 -0.4395 -0.5416 PRESSURE: 1585600 146.769 39.6777 -35.9183 39.6777 133.665 261.77 -35.9191 261.77 -163.56 GPRESSURE: 1585600 269.006 7.86565 -76.1042 9.32317 41.8495 276.978 98.0823 235.172 -117.2 PRESSAVG: 1585600 5.8668 39.3773 19.6749 39.3773 -58.5191 -10.8082 19.6749 -10.8081 0.253179 GPRESSAVG: 1585600 4.26115 37.5716 18.5285 38.7383 -57.651 -12.6626 19.5735 -7.69885 1.28348 TIMING: 1585600 CPU: 5012.79, 0.00320794/step Wall: 5012.79, 0.00320794/step, 3.04255 hours remaining, 235.902344 MB of memory in use. ENERGY: 1585600 3945.8449 20375.8398 14515.6097 245.9899 -203459.2131 2841.2877 0.0000 0.0000 51874.3365 -109660.3046 298.1225 -161534.6411 -109301.1446 298.3902 38.9580 64.5517 762497.3046 -17.4664 -17.3688 PRESSURE: 1585800 -62.2057 94.4853 109.856 94.4838 -232.162 -69.406 109.856 -69.4059 366.571 GPRESSURE: 1585800 60.7595 83.6306 117.635 22.9904 -136.725 -84.2644 22.7791 -70.6 249.193 PRESSAVG: 1585800 19.1778 13.3665 43.4415 13.3665 -5.07025 -6.37957 43.4415 -6.37956 3.3938 GPRESSAVG: 1585800 19.3556 13.3638 44.5302 14.1252 -4.44744 -4.6772 43.8316 -6.94112 2.67924 TIMING: 1585800 CPU: 5013.43, 0.00319191/step Wall: 5013.43, 0.00319191/step, 3.02717 hours remaining, 235.902344 MB of memory in use. ENERGY: 1585800 3968.8626 20288.8836 14555.8635 253.2721 -203655.6095 2834.7625 0.0000 0.0000 52264.2956 -109489.6695 300.3636 -161753.9652 -109122.4881 299.0830 24.0677 57.7423 762153.8412 5.8338 5.8625 PRESSURE: 1586000 189.048 57.7634 -15.9025 57.764 -414.92 -51.9372 -15.9028 -51.937 153.893 GPRESSURE: 1586000 234.276 85.7018 1.97843 84.3766 -381.142 17.3079 69.853 -66.6281 160.704 PRESSAVG: 1586000 32.9355 4.29372 -11.3077 4.29375 -64.2895 -16.3318 -11.3077 -16.3318 4.49098 GPRESSAVG: 1586000 33.1555 4.53447 -12.0513 4.1552 -66.0552 -15.4409 -8.10172 -17.822 5.77292 TIMING: 1586000 CPU: 5014.07, 0.00319212/step Wall: 5014.07, 0.00319212/step, 3.0272 hours remaining, 235.902344 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: 1586000 4025.9866 20532.8865 14496.4276 251.5647 -203749.3387 2875.4328 0.0000 0.0000 52081.4326 -109485.6079 299.3127 -161567.0405 -109119.7469 298.9830 -23.9931 4.6125 761937.5707 -8.9543 -9.0422 PRESSURE: 1586200 305.283 -133.709 30.884 -133.708 194.094 -134.471 30.8847 -134.471 -189.176 GPRESSURE: 1586200 344.666 -88.5566 -63.2466 -128.23 177.83 -120.78 88.9593 -108.075 -128.518 PRESSAVG: 1586200 11.0099 -1.08911 -11.3378 -1.08911 -52.0784 13.7231 -11.3378 13.723 -15.7378 GPRESSAVG: 1586200 11.5624 -1.15552 -12.5433 -0.2679 -51.082 12.8048 -13.9442 14.7326 -17.2336 TIMING: 1586200 CPU: 5014.71, 0.00318859/step Wall: 5014.71, 0.00318859/step, 3.02366 hours remaining, 235.902344 MB of memory in use. ENERGY: 1586200 3967.7265 20578.3256 14491.4710 251.3156 -203700.3086 2895.7540 0.0000 0.0000 51988.8000 -109526.9158 298.7803 -161515.7158 -109168.2992 298.9716 103.4001 131.3259 763134.5340 -18.9355 -18.9178 PRESSURE: 1586400 -446.62 -162.277 244.374 -162.277 -93.7586 -25.529 244.375 -25.5293 45.6245 GPRESSURE: 1586400 -285.008 -79.1863 289.069 -179.138 -157.611 -130.397 81.3544 67.4189 36.1513 PRESSAVG: 1586400 2.18771 -5.23723 24.7429 -5.23725 21.8947 60.694 24.743 60.6941 13.1475 GPRESSAVG: 1586400 1.06381 -4.63407 25.1403 -5.89607 21.9165 61.0688 24.3485 60.1436 14.1835 TIMING: 1586400 CPU: 5015.34, 0.00319492/step Wall: 5015.34, 0.00319492/step, 3.0295 hours remaining, 235.902344 MB of memory in use. ENERGY: 1586400 3972.9634 20568.2480 14489.7773 254.1977 -203457.1467 2517.2002 0.0000 0.0000 52206.5691 -109448.1910 300.0319 -161654.7601 -109076.1082 299.3234 -164.9180 -135.4894 762345.6535 12.4100 12.3880 PRESSURE: 1586600 103.27 57.4671 248.729 57.4662 -280.161 -98.0422 248.729 -98.0412 179.434 GPRESSURE: 1586600 204.425 37.9861 232.089 -55.2542 -254.373 -94.5212 157.647 -123.23 127.998 PRESSAVG: 1586600 8.05285 -25.8108 49.4974 -25.8108 -42.2903 2.00367 49.4974 2.00378 8.83835 GPRESSAVG: 1586600 9.91358 -26.7513 49.0574 -26.1965 -43.1377 2.64992 48.6054 2.39553 7.39537 TIMING: 1586600 CPU: 5015.98, 0.00318592/step Wall: 5015.98, 0.00318592/step, 3.02078 hours remaining, 235.902344 MB of memory in use. ENERGY: 1586600 3928.0875 20617.3399 14568.3658 245.3449 -203714.2660 2960.6379 0.0000 0.0000 51818.7272 -109575.7629 297.8029 -161394.4901 -109209.6821 299.2106 0.8478 26.0169 762756.6704 -8.4664 -8.6096 PRESSURE: 1586800 221.231 -17.6919 58.8017 -17.6918 -37.4046 -156.377 58.8021 -156.378 -54.7989 GPRESSURE: 1586800 15.3542 -17.502 37.9576 5.8632 70.3779 -76.3394 5.06849 -228.887 119.959 PRESSAVG: 1586800 28.9766 -51.3749 20.5744 -51.3749 -30.2363 -9.8709 20.5745 -9.87086 -9.20693 GPRESSAVG: 1586800 26.3516 -50.5403 21.426 -48.6223 -28.4688 -10.0213 21.6668 -10.177 -8.70019 TIMING: 1586800 CPU: 5016.62, 0.00320764/step Wall: 5016.62, 0.00320764/step, 3.0412 hours remaining, 235.902344 MB of memory in use. ENERGY: 1586800 4041.6380 20425.1839 14581.4096 265.7463 -203799.0216 3023.4863 0.0000 0.0000 51856.9379 -109604.6195 298.0225 -161461.5574 -109242.8219 298.4239 43.0091 68.5638 761708.7556 -3.4889 -3.6058 PRESSURE: 1587000 -168.322 -68.4862 54.9094 -68.4869 -140.728 -61.0541 54.909 -61.0548 -289.901 GPRESSURE: 1587000 -154.433 -112.226 76.4997 -140.166 -24.2854 -70.0119 52.2739 -74.7233 -333.185 PRESSAVG: 1587000 50.2662 -41.0285 -4.92209 -41.0285 -23.8058 -1.37147 -4.92218 -1.37154 8.20604 GPRESSAVG: 1587000 51.4087 -41.2056 -4.60319 -44.8735 -25.431 -2.12486 -3.14221 0.0566858 9.29749 TIMING: 1587000 CPU: 5017.27, 0.00321384/step Wall: 5017.27, 0.00321384/step, 3.0469 hours remaining, 235.902344 MB of memory in use. ENERGY: 1587000 3931.2747 20514.0081 14539.7246 236.2563 -203555.1190 2687.9544 0.0000 0.0000 51961.9104 -109683.9905 298.6258 -161645.9009 -109326.6741 298.4883 -199.6505 -170.6344 760681.5641 11.5555 11.7584 PRESSURE: 1587200 -68.4009 -140.448 33.3248 -140.448 74.8473 -151.837 33.3243 -151.836 326.57 GPRESSURE: 1587200 120.234 -148.068 79.362 -172.42 35.9705 -123.313 -44.3588 -36.5704 247.094 PRESSAVG: 1587200 36.2237 -81.4472 -24.8513 -81.4472 -67.7387 11.4768 -24.8512 11.4768 2.74485 GPRESSAVG: 1587200 36.4467 -79.9236 -25.3548 -82.1179 -67.9881 12.3596 -24.1135 11.3472 2.65871 TIMING: 1587200 CPU: 5017.9, 0.00319198/step Wall: 5017.9, 0.00319198/step, 3.026 hours remaining, 235.902344 MB of memory in use. ENERGY: 1587200 3964.1388 20486.7498 14487.7136 256.4798 -203604.5018 2736.6555 0.0000 0.0000 51917.6261 -109755.1381 298.3713 -161672.7642 -109392.3390 298.3904 111.0056 134.4329 761782.4948 -9.5901 -9.6275 PRESSURE: 1587400 425.244 181.615 31.72 181.616 248.533 240.394 31.7196 240.393 115.357 GPRESSURE: 1587400 392.042 246.361 8.08384 217.091 232.564 245.142 26.8284 74.2547 223.719 PRESSAVG: 1587400 44.624 -23.8147 -23.1446 -23.8147 -23.6032 3.66145 -23.1446 3.66146 -10.7315 GPRESSAVG: 1587400 44.3935 -21.8389 -22.8001 -24.8269 -22.8233 2.8306 -23.9489 3.3382 -10.9932 TIMING: 1587400 CPU: 5018.54, 0.00319391/step Wall: 5018.54, 0.00319391/step, 3.02765 hours remaining, 235.902344 MB of memory in use. ENERGY: 1587400 3945.0851 20488.3807 14456.0409 269.2824 -203838.6799 3043.2569 0.0000 0.0000 51857.6267 -109779.0073 298.0265 -161636.6340 -109427.3605 298.3821 263.0444 282.7752 761376.6713 3.4298 3.5257 PRESSURE: 1587600 -267.757 118.237 -115.953 118.237 -25.779 -277.638 -115.954 -277.638 -49.458 GPRESSURE: 1587600 -249.401 44.8888 -26.751 4.989 43.2355 -297.194 -131.461 -239.27 -61.5018 PRESSAVG: 1587600 22.7346 2.78168 9.79205 2.78169 -26.7355 -11.44 9.79207 -11.44 -30.9251 GPRESSAVG: 1587600 22.0897 -0.150053 9.95949 4.89252 -26.3431 -10.9412 7.32706 -13.5758 -31.0583 TIMING: 1587600 CPU: 5019.18, 0.00320337/step Wall: 5019.18, 0.00320337/step, 3.03644 hours remaining, 235.902344 MB of memory in use. ENERGY: 1587600 3965.8051 20417.0572 14556.2490 245.9734 -203210.4244 2503.2906 0.0000 0.0000 51710.7215 -109811.3276 297.1822 -161522.0491 -109447.0914 298.2040 -114.3314 -89.2223 762700.3595 -11.6420 -11.7706 PRESSURE: 1587800 -124.718 149.525 -7.21992 149.524 -196.367 135.784 -7.22046 135.784 -211.25 GPRESSURE: 1587800 -19.029 7.38906 23.0458 336.078 -226.98 197.615 32.5204 89.6924 -216.795 PRESSAVG: 1587800 21.9071 15.7063 -6.37527 15.7063 -16.7471 13.2411 -6.37529 13.241 -18.1978 GPRESSAVG: 1587800 22.3781 17.0873 -7.80084 16.2365 -16.5987 11.1676 -2.56893 15.433 -18.3904 TIMING: 1587800 CPU: 5019.82, 0.00319726/step Wall: 5019.82, 0.00319726/step, 3.03047 hours remaining, 235.902344 MB of memory in use. ENERGY: 1587800 4018.0676 20525.7570 14529.7767 233.9358 -203452.0948 2527.3349 0.0000 0.0000 51943.8506 -109673.3724 298.5220 -161617.2230 -109320.1542 298.7545 -177.4448 -154.2680 760281.5318 -4.3459 -4.2037 PRESSURE: 1588000 5.86718 -2.47203 52.0936 -2.47133 104.85 -53.6439 52.0944 -53.6436 -28.252 GPRESSURE: 1588000 48.2922 60.3624 166.426 -3.10582 96.2655 -140.009 -56.2731 -15.6945 12.4841 PRESSAVG: 1588000 -14.0839 -18.6012 -11.2321 -18.6012 10.9517 -16.1977 -11.2321 -16.1978 -9.70456 GPRESSAVG: 1588000 -14.054 -19.5281 -10.172 -18.0156 10.2819 -13.7837 -10.867 -17.4249 -8.90305 TIMING: 1588000 CPU: 5020.46, 0.00318559/step Wall: 5020.46, 0.00318559/step, 3.01923 hours remaining, 235.902344 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: 1588000 3957.2466 20299.9143 14541.0234 256.5596 -202955.1144 2362.7038 0.0000 0.0000 51796.9330 -109740.7337 297.6777 -161537.6667 -109377.7796 298.1275 27.4885 52.3472 761105.0942 -4.2789 -4.2250 PRESSURE: 1588200 117.142 28.9274 -15.6544 28.9272 218.624 -14.1926 -15.6549 -14.1933 217.005 GPRESSURE: 1588200 104.834 0.864093 9.96585 -141.093 314.806 15.3793 -8.9562 -92.3447 200.916 PRESSAVG: 1588200 -24.3015 -27.9514 28.4 -27.9515 60.2442 36.4128 28.4 36.4128 -5.41422 GPRESSAVG: 1588200 -24.5594 -31.1836 28.0669 -29.6533 61.5009 33.8926 24.7189 36.7117 -6.34238 TIMING: 1588200 CPU: 5021.1, 0.00320226/step Wall: 5021.1, 0.00320226/step, 3.03485 hours remaining, 235.902344 MB of memory in use. ENERGY: 1588200 3924.9969 20625.2965 14432.8199 236.3559 -203725.8934 2953.5951 0.0000 0.0000 51787.0865 -109765.7425 297.6211 -161552.8290 -109411.4821 297.7367 184.2569 206.8520 762644.7246 10.1762 10.1997 LDB: ============= START OF LOAD BALANCING ============== 5033.64 LDB: ============== END OF LOAD BALANCING =============== 5033.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5033.64 LDB: ============= START OF LOAD BALANCING ============== 5033.95 LDB: Largest compute 7037 load 0.034478 is 17.6% of average load 0.195484 LDB: Average compute 0.004374 is 2.2% of average load 0.195484 LDB: TIME 5033.96 LOAD: AVG 0.195484 MAX 0.217153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 5033.96 LOAD: AVG 0.195484 MAX 0.217153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: TIME 5033.96 LOAD: AVG 0.195484 MAX 0.217153 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: ============== END OF LOAD BALANCING =============== 5033.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5033.96 PRESSURE: 1588400 -188.604 10.6125 -18.809 10.6125 -99.285 147.596 -18.8079 147.597 -162.677 GPRESSURE: 1588400 -110.087 117.407 -10.2698 139.975 -121.914 156.599 25.7529 240.407 -127.455 PRESSAVG: 1588400 18.1502 -43.7225 3.33249 -43.7225 -22.6598 58.7913 3.33239 58.7913 -8.20727 GPRESSAVG: 1588400 18.0483 -39.3115 4.05269 -43.4667 -22.6281 61.0435 5.74147 58.6828 -8.06214 TIMING: 1588400 CPU: 5021.75, 0.00323061/step Wall: 5021.75, 0.00323061/step, 3.06154 hours remaining, 236.289062 MB of memory in use. ENERGY: 1588400 3978.9867 20460.2271 14576.0583 256.5972 -203431.8261 2594.7205 0.0000 0.0000 51841.1250 -109724.1112 297.9317 -161565.2362 -109374.6917 297.4847 -150.1886 -119.8187 762931.7866 -4.2390 -4.2140 PRESSURE: 1588600 3.78986 92.1865 -220.112 92.1859 -260.292 257.861 -220.111 257.861 6.90003 GPRESSURE: 1588600 -46.8397 98.1413 -319.459 64.8756 -103.926 124.444 -152.453 281.861 -11.9936 PRESSAVG: 1588600 31.5658 19.5574 23.9467 19.5575 5.13639 79.6592 23.9466 79.6593 -16.2891 GPRESSAVG: 1588600 32.1809 18.1963 22.9125 19.4672 4.41969 79.716 25.0933 78.3047 -16.3027 TIMING: 1588600 CPU: 5022.38, 0.00317006/step Wall: 5022.38, 0.00317006/step, 3.00399 hours remaining, 236.695312 MB of memory in use. ENERGY: 1588600 3932.0255 20537.6606 14526.0258 239.2144 -203360.2104 2582.3989 0.0000 0.0000 52020.8781 -109522.0071 298.9647 -161542.8852 -109174.8422 298.2660 -83.2009 -54.2531 764267.4041 6.8044 6.7660 PRESSURE: 1588800 10.5418 11.459 59.3553 11.46 179.445 -5.40632 59.3554 -5.40576 -75.8877 GPRESSURE: 1588800 106.125 -63.4681 74.8936 22.961 119.327 -35.5123 7.81733 43.2759 -21.6139 PRESSAVG: 1588800 33.0176 0.1917 9.04137 0.191617 8.63964 -46.5631 9.04141 -46.5631 -5.92156 GPRESSAVG: 1588800 32.2996 -0.395208 9.73848 0.168167 8.45028 -47.6327 5.8191 -44.4775 -4.55849 TIMING: 1588800 CPU: 5023.02, 0.00318922/step Wall: 5023.02, 0.00318922/step, 3.02196 hours remaining, 236.835938 MB of memory in use. ENERGY: 1588800 3958.2224 20449.6195 14450.8104 241.0208 -203344.3177 2815.6414 0.0000 0.0000 52116.8641 -109312.1391 299.5163 -161429.0032 -108950.6955 298.8687 38.0329 67.9459 762680.5088 11.9119 12.0638 PRESSURE: 1589000 -515.778 -127.196 129.923 -127.196 -163.4 -34.4058 129.922 -34.4064 66.7599 GPRESSURE: 1589000 -435.637 -81.9262 145.691 -237.23 -149.223 -27.5289 165.634 -79.2992 45.0441 PRESSAVG: 1589000 17.2453 -58.2351 -3.86132 -58.2352 -12.7377 -65.8553 -3.86131 -65.8552 -23.9962 GPRESSAVG: 1589000 17.2782 -57.8853 -3.95879 -58.279 -11.308 -65.4103 0.910872 -66.808 -24.9341 TIMING: 1589000 CPU: 5023.66, 0.00319781/step Wall: 5023.66, 0.00319781/step, 3.02993 hours remaining, 236.824219 MB of memory in use. ENERGY: 1589000 4043.6474 20515.6281 14496.7482 233.1022 -203400.5076 2677.7126 0.0000 0.0000 52069.2482 -109364.4209 299.2427 -161433.6692 -109002.0519 298.8702 -204.1392 -179.9384 763611.2098 -6.4962 -6.3213 PRESSURE: 1589200 -25.0072 225.776 -83.8875 225.776 106.438 55.5561 -83.8875 55.5556 510.523 GPRESSURE: 1589200 126.009 196.574 -88.7566 299.516 113.292 71.0251 -101.002 25.3202 411.487 PRESSAVG: 1589200 39.0713 -45.5586 -32.7676 -45.5586 -35.8575 -33.9013 -32.7676 -33.9014 9.3991 GPRESSAVG: 1589200 40.0958 -44.3784 -33.3959 -46.4846 -36.3821 -32.3628 -34.9061 -33.5614 9.17042 TIMING: 1589200 CPU: 5024.29, 0.0031679/step Wall: 5024.29, 0.0031679/step, 3.00141 hours remaining, 236.824219 MB of memory in use. ENERGY: 1589200 3976.4306 20497.8797 14571.4611 277.6444 -203696.7212 2966.4726 0.0000 0.0000 52157.5351 -109249.2977 299.7501 -161406.8327 -108884.2125 299.3984 197.3180 216.9296 761958.1827 4.2043 4.2947 PRESSURE: 1589400 -33.9325 294.225 -17.1322 294.226 -442.535 12.498 -17.1324 12.4981 95.4859 GPRESSURE: 1589400 -8.56807 288.436 -135.584 223.44 -339.281 -57.9567 65.4517 3.53113 57.061 PRESSAVG: 1589400 18.275 1.76859 -29.824 1.76863 -69.7061 -34.1555 -29.824 -34.1555 -22.0242 GPRESSAVG: 1589400 18.1629 0.449578 -30.2648 3.49592 -72.19 -35.0725 -30.2814 -34.1654 -19.6693 TIMING: 1589400 CPU: 5024.92, 0.00314448/step Wall: 5024.92, 0.00314448/step, 2.97905 hours remaining, 236.824219 MB of memory in use. ENERGY: 1589400 4005.6935 20528.4025 14576.4197 247.2416 -203003.8381 2670.7517 0.0000 0.0000 51836.2502 -109139.0787 297.9036 -160975.3290 -108771.9212 299.2885 -126.9940 -96.9295 764204.4309 -24.4851 -24.5655 PRESSURE: 1589600 -26.1307 -38.3727 119.076 -38.3719 -282.52 41.129 119.076 41.1288 32.0621 GPRESSURE: 1589600 -35.515 -88.2665 167.139 -34.7473 -185.322 -2.13066 167.744 60.575 30.2322 PRESSAVG: 1589600 61.0007 -41.9356 11.5245 -41.9356 -43.1436 12.5042 11.5246 12.5042 2.2467 GPRESSAVG: 1589600 60.8288 -40.7603 12.618 -41.6569 -40.5599 12.1602 10.7745 12.4422 -0.238983 TIMING: 1589600 CPU: 5025.55, 0.00314877/step Wall: 5025.55, 0.00314877/step, 2.98293 hours remaining, 236.824219 MB of memory in use. ENERGY: 1589600 4053.2926 20482.9669 14563.0633 246.3400 -203348.4162 2727.9081 0.0000 0.0000 52104.3505 -109170.4947 299.4444 -161274.8452 -108805.9269 299.4268 -92.1964 -63.5349 761684.4684 6.7013 6.6766 PRESSURE: 1589800 -133.92 89.4141 -101.989 89.4142 -137.091 85.98 -101.988 85.9805 189.687 GPRESSURE: 1589800 -126.619 14.552 -66.8762 87.3025 -21.3536 102.705 -131.153 91.5096 148.969 PRESSAVG: 1589800 16.5998 11.7847 -23.4228 11.7847 15.1593 10.3061 -23.4227 10.3061 -11.5425 GPRESSAVG: 1589800 16.4765 9.93421 -22.867 12.3863 13.8543 10.2464 -23.7754 11.8873 -10.3907 TIMING: 1589800 CPU: 5026.19, 0.00317581/step Wall: 5026.19, 0.00317581/step, 3.00837 hours remaining, 236.824219 MB of memory in use. ENERGY: 1589800 3960.6590 20491.9419 14585.1835 253.7535 -203171.3294 2723.9907 0.0000 0.0000 51833.4037 -109322.3969 297.8873 -161155.8006 -108963.3426 299.1563 -27.1080 0.3321 762582.9962 6.7388 6.6467 PRESSURE: 1590000 270.855 -1.12566 136.508 -1.12669 57.0302 174.112 136.508 174.111 -174.757 GPRESSURE: 1590000 269.576 -36.6103 191.702 73.9863 66.6179 167.718 156.89 125.133 -93.8135 PRESSAVG: 1590000 24.7148 -36.7184 -23.8078 -36.7185 -21.1196 55.9881 -23.8078 55.988 -16.5861 GPRESSAVG: 1590000 23.0037 -35.4278 -24.7186 -37.9727 -18.3791 57.741 -22.8408 52.6511 -17.5714 TIMING: 1590000 CPU: 5026.82, 0.00317678/step Wall: 5026.82, 0.00317678/step, 3.00912 hours remaining, 236.824219 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: 1590000 4016.1946 20581.3461 14600.1999 243.9559 -203672.8904 2887.0489 0.0000 0.0000 51876.5424 -109467.6026 298.1352 -161344.1450 -109113.4004 298.9594 51.0427 80.7933 760522.3533 -4.3303 -4.3156 PRESSURE: 1590200 164.21 -111.438 137.124 -111.439 -96.6509 -15.0311 137.124 -15.0304 -94.6407 GPRESSURE: 1590200 228.877 -52.2832 103.164 -133.614 -98.0857 58.7357 25.8131 -70.0175 -69.7666 PRESSAVG: 1590200 88.4666 36.2525 40.0237 36.2525 -38.7791 -18.6015 40.0237 -18.6015 20.7188 GPRESSAVG: 1590200 91.436 36.1977 41.2622 34.9845 -41.8675 -18.3019 39.539 -16.8134 20.8143 TIMING: 1590200 CPU: 5027.46, 0.00319195/step Wall: 5027.46, 0.00319195/step, 3.02331 hours remaining, 236.824219 MB of memory in use. ENERGY: 1590200 4001.9204 20624.6986 14531.1659 243.9845 -203568.6029 2820.1748 0.0000 0.0000 52066.4660 -109280.1927 299.2267 -161346.6587 -108921.6477 299.4161 -9.0272 20.3417 760512.9536 23.4687 23.4609 PRESSURE: 1590400 240.916 -143.909 -60.3763 -143.908 -291.396 -48.9122 -60.3768 -48.912 25.8871 GPRESSURE: 1590400 290.629 -144.097 -40.135 -93.5536 -307.44 -131.58 -51.9191 -45.8036 68.9134 PRESSAVG: 1590400 39.7705 -23.2182 -14.6348 -23.2181 -36.1526 23.6916 -14.6349 23.6916 -0.696401 GPRESSAVG: 1590400 38.0411 -23.8911 -15.8445 -22.2084 -34.6887 22.6065 -15.7978 22.1403 -0.828703 TIMING: 1590400 CPU: 5028.1, 0.00318905/step Wall: 5028.1, 0.00318905/step, 3.02038 hours remaining, 236.824219 MB of memory in use. ENERGY: 1590400 3947.7391 20585.7320 14559.6783 262.2653 -203371.2691 2676.4116 0.0000 0.0000 52196.1768 -109143.2661 299.9721 -161339.4429 -108779.1625 299.5838 -8.1979 17.3674 762136.4048 0.9738 0.8412 PRESSURE: 1590600 -13.8038 -168.689 -219.277 -168.689 -275.855 -70.1889 -219.277 -70.1892 -84.4161 GPRESSURE: 1590600 63.3874 -203.528 -164.389 16.8415 -222.455 -35.4699 -132.833 -84.2811 -169.497 PRESSAVG: 1590600 74.269 69.1098 14.6079 69.1098 -114.287 -3.39647 14.6078 -3.39641 -4.7485 GPRESSAVG: 1590600 74.0077 71.5451 15.1014 70.0927 -114.546 -3.42775 14.817 -1.15744 -4.67255 TIMING: 1590600 CPU: 5028.73, 0.0031833/step Wall: 5028.73, 0.0031833/step, 3.01476 hours remaining, 236.824219 MB of memory in use. ENERGY: 1590600 4016.2629 20808.8853 14578.5228 242.1123 -203564.0423 2701.7973 0.0000 0.0000 52076.4915 -109139.9701 299.2843 -161216.4616 -108773.2190 299.8549 -124.6916 -109.5213 760706.7972 -14.9221 -15.0704 PRESSURE: 1590800 -213.997 54.2394 80.3786 54.24 -196.647 -100.244 80.3799 -100.244 -196 GPRESSURE: 1590800 -242.346 46.0522 6.91441 139.349 -123.721 -141.497 142.98 22.1205 -143.214 PRESSAVG: 1590800 54.1829 28.8324 3.6068 28.8325 -51.265 16.5591 3.60682 16.5591 -3.58779 GPRESSAVG: 1590800 54.9344 28.7423 3.51455 25.656 -52.066 14.9685 3.93725 15.3301 -3.41042 TIMING: 1590800 CPU: 5029.37, 0.00318819/step Wall: 5029.37, 0.00318819/step, 3.01922 hours remaining, 236.824219 MB of memory in use. ENERGY: 1590800 3948.6048 20668.8578 14523.4188 250.8223 -203212.6500 2337.3815 0.0000 0.0000 52329.2351 -109154.3297 300.7368 -161483.5648 -108793.0653 299.9697 -202.2145 -169.7606 760161.7830 -0.2233 -0.1807 PRESSURE: 1591000 86.7901 5.30339 -141.106 5.30451 -438.924 167.741 -141.106 167.741 -489.097 GPRESSURE: 1591000 121.177 -3.99828 -124.834 -41.5833 -441.116 82.5746 -138.566 120.694 -419.164 PRESSAVG: 1591000 50.0127 9.28835 -25.8198 9.28836 -21.9364 16.3556 -25.8198 16.3556 -8.94989 GPRESSAVG: 1591000 50.8481 8.76616 -26.5346 8.73856 -22.0965 18.6046 -24.8897 13.9715 -8.79252 TIMING: 1591000 CPU: 5030.01, 0.00319033/step Wall: 5030.01, 0.00319033/step, 3.02106 hours remaining, 236.824219 MB of memory in use. ENERGY: 1591000 3976.7151 20632.4615 14519.6720 238.1891 -203010.5624 2436.6428 0.0000 0.0000 52012.7260 -109194.1559 298.9179 -161206.8819 -108837.3744 299.6111 -280.4104 -246.3677 761476.4435 6.3755 6.6530 PRESSURE: 1591200 -456.087 57.1855 141.784 57.1863 -297.814 -50.6167 141.784 -50.6169 -72.7909 GPRESSURE: 1591200 -378.842 -40.0961 136.855 -54.5184 -198.152 -47.9366 -118.957 -18.733 -157.144 PRESSAVG: 1591200 -8.7431 35.8163 -39.1495 35.8163 42.1886 -28.6036 -39.1495 -28.6036 -7.12547 GPRESSAVG: 1591200 -9.13881 33.3612 -39.4388 38.2955 42.8495 -28.4115 -39.8277 -27.895 -7.38061 TIMING: 1591200 CPU: 5030.64, 0.00317338/step Wall: 5030.64, 0.00317338/step, 3.00484 hours remaining, 236.824219 MB of memory in use. ENERGY: 1591200 4055.3669 20535.1813 14512.0740 275.6517 -203555.5363 2625.8551 0.0000 0.0000 52214.7358 -109336.6716 300.0788 -161551.4074 -108969.3062 299.7568 -275.5640 -244.7128 760922.0523 8.7733 8.7767 PRESSURE: 1591400 85.1682 -136.66 56.4732 -136.659 121.822 100.536 56.473 100.536 212.732 GPRESSURE: 1591400 132.861 -97.7397 -50.2428 -239.992 160.685 133.433 116.832 16.5096 227.288 PRESSAVG: 1591400 36.4572 -23.1074 20.9773 -23.1074 4.02452 42.2795 20.9773 42.2794 5.45066 GPRESSAVG: 1591400 37.2809 -20.7354 22.0303 -24.0148 3.31386 41.8847 21.4891 45.6418 5.63743 TIMING: 1591400 CPU: 5031.28, 0.00316675/step Wall: 5031.28, 0.00316675/step, 2.99839 hours remaining, 236.824219 MB of memory in use. ENERGY: 1591400 3967.9117 20402.3613 14587.2689 250.2724 -203476.0496 2742.2094 0.0000 0.0000 52113.0244 -109413.0015 299.4943 -161526.0259 -109052.4288 299.4589 139.9075 173.6113 760457.5101 15.3108 15.4107 PRESSURE: 1591600 -205.911 -217.696 -265.581 -217.696 71.9513 27.2444 -265.581 27.2449 -38.2525 GPRESSURE: 1591600 -118.326 -250.045 -278.386 -148.615 76.7834 63.9998 -228.384 143.571 -45.7481 PRESSAVG: 1591600 -6.81028 -33.0577 13.0791 -33.0577 0.613248 5.6178 13.0792 5.61777 13.7329 GPRESSAVG: 1591600 -6.08567 -35.7371 10.9545 -32.0336 0.655015 3.45025 13.9067 5.61313 12.4693 TIMING: 1591600 CPU: 5031.92, 0.00319279/step Wall: 5031.92, 0.00319279/step, 3.02286 hours remaining, 236.835938 MB of memory in use. ENERGY: 1591600 3970.2686 20476.8033 14481.9790 240.5523 -203455.1791 2624.0396 0.0000 0.0000 52139.9597 -109521.5765 299.6491 -161661.5363 -109144.2525 299.0279 -57.4040 -29.0970 760718.3730 2.5119 2.3462 PRESSURE: 1591800 -115.604 -76.5623 -2.37099 -76.5623 -390.754 -243.744 -2.37075 -243.744 90.0499 GPRESSURE: 1591800 -84.8745 -5.45733 19.3029 -102.649 -350.088 -326.142 28.2252 -170.969 76.4762 PRESSAVG: 1591800 -16.7489 -35.0768 27.3117 -35.0769 10.7064 -16.3289 27.3117 -16.329 9.96244 GPRESSAVG: 1591800 -19.0047 -31.3417 28.6308 -36.3679 11.1121 -14.2186 27.6424 -18.9031 10.8891 TIMING: 1591800 CPU: 5032.55, 0.00315194/step Wall: 5032.55, 0.00315194/step, 2.98401 hours remaining, 236.835938 MB of memory in use. ENERGY: 1591800 4046.8795 20470.3559 14526.4348 239.9059 -203588.5871 2690.8877 0.0000 0.0000 52023.2534 -109590.8700 298.9784 -161614.1233 -109226.3072 298.9572 -138.7691 -119.4953 763302.6424 1.3066 0.9988 PRESSURE: 1592000 395.902 -36.4275 -147.132 -36.4285 43.7476 16.8114 -147.133 16.8124 -166.448 GPRESSURE: 1592000 384.615 104.377 -126.088 -6.56816 151.714 61.409 -3.29734 -32.1535 -165.687 PRESSAVG: 1592000 -56.5275 -5.891 -9.45039 -5.89091 16.3274 -27.986 -9.45044 -27.986 7.3771 GPRESSAVG: 1592000 -56.352 -8.13082 -10.6829 -5.08968 15.0177 -28.2714 -7.57044 -27.0475 7.71399 TIMING: 1592000 CPU: 5033.18, 0.00317675/step Wall: 5033.18, 0.00317675/step, 3.00733 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: 1592000 4021.2820 20392.8278 14528.6167 248.9012 -203449.7193 2876.0598 0.0000 0.0000 51929.7364 -109452.2955 298.4409 -161382.0318 -109085.3763 298.5193 91.0673 123.5472 762107.0911 -10.9410 -11.2068 PRESSURE: 1592200 -14.7475 -20.847 135.903 -20.8459 11.4849 66.8695 135.902 66.8691 53.3168 GPRESSURE: 1592200 15.3319 -45.7212 77.4591 -70.6406 12.1787 93.6276 -37.8491 59.4625 138.963 PRESSAVG: 1592200 36.5111 2.74816 28.4278 2.7482 26.4867 -18.7114 28.4278 -18.7115 -18.5049 GPRESSAVG: 1592200 37.6623 2.78135 29.489 2.10404 25.2595 -18.7931 25.5314 -19.7302 -18.3052 TIMING: 1592200 CPU: 5033.82, 0.00316987/step Wall: 5033.82, 0.00316987/step, 3.00063 hours remaining, 236.835938 MB of memory in use. ENERGY: 1592200 4080.6806 20284.9495 14494.8668 258.5812 -203508.3346 2903.9045 0.0000 0.0000 52062.4922 -109422.8598 299.2039 -161485.3520 -109052.0768 298.7105 16.6847 55.4913 761301.0356 14.8310 14.8722 LDB: ============= START OF LOAD BALANCING ============== 5046.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5046.35 LDB: =============== DONE WITH MIGRATION ================ 5046.35 LDB: ============= START OF LOAD BALANCING ============== 5046.67 LDB: Largest compute 7037 load 0.031677 is 16.2% of average load 0.195503 LDB: Average compute 0.004394 is 2.2% of average load 0.195503 LDB: TIME 5046.67 LOAD: AVG 0.195503 MAX 0.215989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 5046.67 LOAD: AVG 0.195503 MAX 0.215989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 5046.67 LOAD: AVG 0.195503 MAX 0.215989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 5046.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5046.68 PRESSURE: 1592400 -15.5932 -127.609 -141.435 -127.609 103.241 -206.247 -141.434 -206.248 83.9249 GPRESSURE: 1592400 42.6949 -19.1481 -131.906 -75.0973 44.7025 -73.6192 -117.159 -206.536 154.999 PRESSAVG: 1592400 23.6554 -6.72611 9.40127 -6.72611 20.3749 -18.5709 9.40128 -18.5709 -16.1925 GPRESSAVG: 1592400 22.3819 -3.69578 8.44506 -6.63028 22.8349 -18.4558 8.53375 -19.221 -17.468 TIMING: 1592400 CPU: 5034.46, 0.00323206/step Wall: 5034.46, 0.00323206/step, 3.05932 hours remaining, 237.960938 MB of memory in use. ENERGY: 1592400 3988.8993 20628.7919 14470.2254 251.3933 -203201.5192 2552.2037 0.0000 0.0000 51983.2105 -109326.7950 298.7482 -161310.0056 -108960.9368 299.4777 57.1908 80.7988 761819.5663 9.2793 9.2496 PRESSURE: 1592600 104.288 150.379 -22.1934 150.378 110.057 73.5098 -22.1947 73.5104 145.239 GPRESSURE: 1592600 108.448 114.888 -41.5475 135.128 119.162 84.4189 -105.5 204.853 220.888 PRESSAVG: 1592600 -7.81112 22.7139 0.199143 22.7139 -13.0115 -24.4691 0.199229 -24.4691 10.7131 GPRESSAVG: 1592600 -8.0831 19.9481 -0.263448 23.3956 -12.8687 -24.6302 0.771127 -22.6951 10.5943 TIMING: 1592600 CPU: 5035.09, 0.00314986/step Wall: 5035.09, 0.00314986/step, 2.98134 hours remaining, 238.136719 MB of memory in use. ENERGY: 1592600 3964.7833 20392.8633 14498.6737 246.5227 -203596.8203 2803.5374 0.0000 0.0000 52178.1150 -109512.3249 299.8683 -161690.4399 -109147.2256 299.4898 119.8615 149.4994 760707.6901 -3.3698 -3.4525 PRESSURE: 1592800 249.689 -73.6775 61.6683 -73.6775 -384.675 56.0741 61.668 56.0737 133.126 GPRESSURE: 1592800 177.217 -206.805 95.0565 -34.61 -302.584 6.51076 -4.28119 -64.6518 190.89 PRESSAVG: 1592800 -9.19518 -6.34246 -8.77731 -6.34245 30.2913 -21.5652 -8.77739 -21.5651 25.0292 GPRESSAVG: 1592800 -10.1629 -6.7957 -8.40499 -7.8206 31.1696 -22.1132 -6.28296 -21.9372 25.1339 TIMING: 1592800 CPU: 5035.73, 0.00316752/step Wall: 5035.73, 0.00316752/step, 2.99788 hours remaining, 238.136719 MB of memory in use. ENERGY: 1592800 3977.4055 20507.3272 14529.1798 237.4477 -203387.4759 2603.3089 0.0000 0.0000 52103.9015 -109428.9051 299.4418 -161532.8067 -109072.1992 299.1068 -0.6200 21.8408 760796.5666 15.3751 15.3802 PRESSURE: 1593000 -79.5963 -25.0816 -61.509 -25.0811 50.3514 -131.585 -61.5092 -131.585 -309.402 GPRESSURE: 1593000 -163.2 17.9956 -61.9036 -33.5089 157.092 -68.7082 25.258 -10.0413 -273.563 PRESSAVG: 1593000 74.2281 44.224 2.7247 44.2241 -36.1469 7.99885 2.7247 7.99874 -7.12615 GPRESSAVG: 1593000 75.1703 46.3659 2.77068 43.3518 -37.2173 8.16062 1.86773 7.2119 -6.92121 TIMING: 1593000 CPU: 5036.36, 0.00317097/step Wall: 5036.36, 0.00317097/step, 3.00098 hours remaining, 238.136719 MB of memory in use. ENERGY: 1593000 3975.7015 20529.7291 14525.1974 233.9910 -203014.0782 2407.0991 0.0000 0.0000 51725.3130 -109617.0470 297.2661 -161342.3601 -109259.1679 298.4530 -112.8823 -93.2239 760680.1335 10.3183 10.3439 PRESSURE: 1593200 146.547 -45.656 -25.1411 -45.6559 289.321 6.26584 -25.1403 6.26502 244.591 GPRESSURE: 1593200 158.736 -40.0162 -104.408 -1.05006 313.787 -46.8611 83.8615 86.7099 284.555 PRESSAVG: 1593200 -41.3208 -4.76456 -22.3263 -4.76458 15.6482 8.05034 -22.3263 8.05035 25.2471 GPRESSAVG: 1593200 -41.9131 -5.17114 -21.5509 -2.81216 15.5688 7.87552 -23.2928 8.20117 26.3793 TIMING: 1593200 CPU: 5036.99, 0.00316249/step Wall: 5036.99, 0.00316249/step, 2.99277 hours remaining, 238.207031 MB of memory in use. ENERGY: 1593200 4002.9270 20454.2272 14479.7759 255.5304 -203851.5653 3042.7606 0.0000 0.0000 51979.6703 -109636.6739 298.7279 -161616.3442 -109268.6501 298.3702 226.8198 252.3594 759476.8740 -0.1418 0.0117 PRESSURE: 1593400 -42.2234 -36.4676 -16.5803 -36.4674 -59.2579 -227.027 -16.5805 -227.028 -177.898 GPRESSURE: 1593400 127.638 20.4917 -22.1202 -12.9308 -70.6354 -247.721 -74.8493 -170.99 -238.31 PRESSAVG: 1593400 40.9801 1.43751 3.18565 1.43749 -26.6466 10.7563 3.18569 10.7562 -17.9046 GPRESSAVG: 1593400 42.2447 1.73887 1.73768 1.55452 -26.7226 11.774 5.18825 11.7688 -18.4694 TIMING: 1593400 CPU: 5037.63, 0.0031686/step Wall: 5037.63, 0.0031686/step, 2.99837 hours remaining, 238.207031 MB of memory in use. ENERGY: 1593400 3987.2976 20559.5525 14486.0374 244.3448 -203119.2315 2510.9966 0.0000 0.0000 51944.4285 -109386.5740 298.5253 -161331.0025 -109029.6928 298.3532 -93.1264 -60.4359 762438.5688 -1.1904 -0.9824 PRESSURE: 1593600 341.493 117.254 23.294 117.254 -286.944 -150.103 23.2949 -150.104 210.637 GPRESSURE: 1593600 374.472 115.529 -94.1831 105.782 -292.228 -235.717 59.2385 -116.049 253.048 PRESSAVG: 1593600 -20.6963 -6.51552 36.974 -6.51551 45.5119 -19.7778 36.9741 -19.7777 1.09582 GPRESSAVG: 1593600 -19.9627 -6.00231 39.708 -7.51783 45.3516 -21.3248 35.4824 -20.5162 0.730631 TIMING: 1593600 CPU: 5038.26, 0.0031536/step Wall: 5038.26, 0.0031536/step, 2.98401 hours remaining, 238.207031 MB of memory in use. ENERGY: 1593600 3904.6470 20409.0278 14510.6541 258.2534 -203161.1180 2548.0120 0.0000 0.0000 52215.4305 -109315.0933 300.0828 -161530.5238 -108943.5271 299.1513 88.3953 111.7642 763552.9529 8.6372 8.7065 PRESSURE: 1593800 168.304 27.0296 127.466 27.0296 157.463 70.8744 127.466 70.8748 -242.81 GPRESSURE: 1593800 173.822 35.7797 20.7136 149.51 178.603 73.8217 137.777 74.0918 -174.334 PRESSAVG: 1593800 -37.6081 5.06858 10.7823 5.06862 30.3386 9.21503 10.7823 9.21501 -2.47333 GPRESSAVG: 1593800 -37.868 3.50175 9.34252 6.33814 28.8276 11.1841 9.66656 9.89317 -1.01531 TIMING: 1593800 CPU: 5038.89, 0.00314883/step Wall: 5038.89, 0.00314883/step, 2.97932 hours remaining, 238.207031 MB of memory in use. ENERGY: 1593800 4025.7496 20293.0759 14472.1060 230.9171 -203060.1581 2570.6277 0.0000 0.0000 51887.9543 -109579.7274 298.2008 -161467.6817 -109220.6146 298.5683 27.6523 59.3638 762488.9690 -3.2476 -3.3519 PRESSURE: 1594000 -288.383 -65.4168 30.8445 -65.4166 53.4447 -127.398 30.8451 -127.396 -50.0659 GPRESSURE: 1594000 -266.037 -49.6549 33.9002 6.55282 140.335 -180.529 20.3015 -220.604 -84.2554 PRESSAVG: 1594000 38.4321 1.16009 96.2444 1.16015 -35.2845 33.9714 96.2444 33.9713 24.1021 GPRESSAVG: 1594000 37.8864 1.08157 96.3226 -0.302385 -33.4519 32.2807 95.4777 33.8087 22.8807 TIMING: 1594000 CPU: 5039.52, 0.00316289/step Wall: 5039.52, 0.00316289/step, 2.99244 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: 1594000 3999.6455 20556.2580 14461.6022 262.8613 -203064.1214 2579.6610 0.0000 0.0000 51765.0407 -109439.0527 297.4944 -161204.0934 -109089.6955 298.3060 -95.0014 -69.9857 763132.8455 9.0832 9.1051 PRESSURE: 1594200 170.556 6.03983 -72.0556 6.04023 -53.7255 -126.617 -72.0566 -126.617 175.803 GPRESSURE: 1594200 170.543 58.7895 -141.638 62.2124 -12.1785 -104.799 76.9525 38.1106 205.464 PRESSAVG: 1594200 5.56461 -42.2435 29.3517 -42.2435 -10.1808 -13.2257 29.3517 -13.2257 -3.89095 GPRESSAVG: 1594200 4.93012 -42.6458 28.9214 -40.7265 -10.2604 -13.0784 29.9579 -11.7239 -3.79003 TIMING: 1594200 CPU: 5040.15, 0.00314528/step Wall: 5040.15, 0.00314528/step, 2.97561 hours remaining, 238.207031 MB of memory in use. ENERGY: 1594200 3978.8732 20536.2978 14423.2823 259.7561 -203452.5718 2818.7805 0.0000 0.0000 51689.2231 -109746.3588 297.0587 -161435.5819 -109376.8689 298.4668 97.5446 121.2761 759658.7280 -2.8357 -3.0401 PRESSURE: 1594400 186.701 39.3644 4.85462 39.3653 -401.094 -37.7029 4.85491 -37.701 -335.203 GPRESSURE: 1594400 170.62 100.198 25.5619 153.413 -337.693 -31.0932 11.3597 -140.248 -303.955 PRESSAVG: 1594400 49.3918 -44.3268 8.69994 -44.3268 -18.276 -72.6503 8.69996 -72.6503 7.82732 GPRESSAVG: 1594400 50.2287 -43.0087 8.8637 -45.3855 -17.824 -72.4241 9.18983 -73.2794 6.80751 TIMING: 1594400 CPU: 5040.78, 0.00314874/step Wall: 5040.78, 0.00314874/step, 2.97871 hours remaining, 238.207031 MB of memory in use. ENERGY: 1594400 4058.0486 20370.8153 14401.3242 271.9306 -203626.0950 2843.9518 0.0000 0.0000 52030.4798 -109649.5447 299.0199 -161680.0245 -109277.8484 298.1961 -183.1988 -157.0090 760636.3701 12.9810 13.0707 PRESSURE: 1594600 -10.3739 15.6272 7.61564 15.6281 24.5826 -75.6621 7.61534 -75.6619 76.8426 GPRESSURE: 1594600 57.3901 123.487 9.83303 -28.7629 14.3701 -84.5785 22.1454 -61.6386 99.581 PRESSAVG: 1594600 60.5365 -33.0163 42.9057 -33.0163 -52.7711 -38.8374 42.9057 -38.8374 -20.3474 GPRESSAVG: 1594600 60.1092 -33.4844 44.19 -31.3495 -52.1894 -38.91 42.7611 -38.2228 -20.3578 TIMING: 1594600 CPU: 5041.41, 0.00315315/step Wall: 5041.41, 0.00315315/step, 2.98271 hours remaining, 238.207031 MB of memory in use. ENERGY: 1594600 3986.1239 20467.8210 14492.4943 258.6255 -203517.9379 2713.0224 0.0000 0.0000 51797.6962 -109802.1545 297.6821 -161599.8507 -109439.5456 298.1020 30.3504 57.1137 760070.2731 -4.1940 -4.1460 PRESSURE: 1594800 -205.879 -57.9962 253.841 -57.9963 -349.197 15.2322 253.841 15.2329 -93.8227 GPRESSURE: 1594800 -151.422 -72.3984 239.012 -96.5796 -364.466 62.3233 202.495 46.3771 -67.3415 PRESSAVG: 1594800 22.7095 4.10124 21.1863 4.10121 -45.1791 9.46433 21.1862 9.46438 -0.861378 GPRESSAVG: 1594800 22.8488 4.93267 19.6471 2.86265 -46.5239 9.17996 24.585 8.77426 0.411982 TIMING: 1594800 CPU: 5042.04, 0.00315502/step Wall: 5042.04, 0.00315502/step, 2.9843 hours remaining, 238.207031 MB of memory in use. ENERGY: 1594800 4051.8653 20497.4106 14464.0048 230.8036 -203140.0089 2258.8904 0.0000 0.0000 52024.7928 -109612.2414 298.9872 -161637.0341 -109248.4970 298.0320 -216.2997 -194.4099 761974.8369 -7.7770 -7.7544 PRESSURE: 1595000 -198.236 -258.929 15.5385 -258.928 -138.338 32.1539 15.5375 32.154 -12.5309 GPRESSURE: 1595000 -175.233 -338.704 98.7496 -336.884 -41.5971 151.172 53.5551 90.4605 -40.1095 PRESSAVG: 1595000 21.318 -4.03904 49.6082 -4.03906 -1.7788 -9.91445 49.6082 -9.9144 12.0801 GPRESSAVG: 1595000 22.1817 -6.01286 50.9129 -4.39228 -1.45272 -8.19996 45.77 -10.9436 10.7178 TIMING: 1595000 CPU: 5042.67, 0.00314275/step Wall: 5042.67, 0.00314275/step, 2.97252 hours remaining, 238.207031 MB of memory in use. ENERGY: 1595000 4079.0882 20631.7618 14406.8847 267.0197 -203355.4919 2618.0794 0.0000 0.0000 51820.5937 -109532.0643 297.8137 -161352.6580 -109173.1232 298.5904 -116.3680 -85.6465 762299.9930 10.5397 10.4823 PRESSURE: 1595200 382.675 -150.803 -130.838 -150.803 -31.7093 -14.7625 -130.838 -14.7619 92.4278 GPRESSURE: 1595200 352.788 -118.39 -144.538 -169.704 6.3404 17.7227 -96.0955 -14.1248 160.134 PRESSAVG: 1595200 29.1696 -51.0486 -1.31461 -51.0486 -53.7028 -5.23214 -1.31464 -5.23219 17.0451 GPRESSAVG: 1595200 28.3107 -48.4044 -2.34358 -48.9851 -54.1558 -7.1008 1.55964 -2.29503 18.2649 TIMING: 1595200 CPU: 5043.3, 0.00314362/step Wall: 5043.3, 0.00314362/step, 2.97317 hours remaining, 238.207031 MB of memory in use. ENERGY: 1595200 3906.5059 20661.2875 14469.8808 245.3369 -203725.9700 2968.7921 0.0000 0.0000 52088.3071 -109385.8597 299.3522 -161474.1668 -109014.0632 298.8898 147.7979 173.0876 761808.6211 -2.4960 -2.5267 PRESSURE: 1595400 -31.5274 146.181 82.3299 146.182 62.2727 56.8354 82.3302 56.8345 -383.123 GPRESSURE: 1595400 -1.50086 49.0557 -21.5871 68.8086 97.6618 53.475 29.4066 30.7568 -367.382 PRESSAVG: 1595400 48.0278 -11.696 8.17025 -11.6959 -17.8669 4.99665 8.17024 4.99656 30.5506 GPRESSAVG: 1595400 47.9575 -12.8316 10.0901 -14.2608 -17.4196 5.42865 6.34474 3.06226 30.3726 TIMING: 1595400 CPU: 5043.93, 0.00317351/step Wall: 5043.93, 0.00317351/step, 3.00126 hours remaining, 238.207031 MB of memory in use. ENERGY: 1595400 4031.0347 20556.0421 14459.7083 237.9034 -203753.7107 2914.4591 0.0000 0.0000 52153.2376 -109401.3255 299.7254 -161554.5631 -109027.2910 299.1522 -117.4594 -90.4069 762207.3624 20.2372 20.3035 PRESSURE: 1595600 235.806 -22.9249 164.703 -22.9259 -272.263 -228.649 164.703 -228.649 -17.2338 GPRESSURE: 1595600 268.2 -136.802 159.763 -13.2726 -170.918 -264.744 150.288 -66.1341 -60.9499 PRESSAVG: 1595600 38.7172 -16.5852 -6.94786 -16.5852 -35.3584 -40.4693 -6.94782 -40.4693 -7.11198 GPRESSAVG: 1595600 38.8925 -16.8268 -6.73304 -14.2814 -34.1912 -39.6075 -6.80733 -38.9368 -8.04251 TIMING: 1595600 CPU: 5044.56, 0.00315752/step Wall: 5044.56, 0.00315752/step, 2.98596 hours remaining, 238.207031 MB of memory in use. ENERGY: 1595600 3941.3840 20547.6371 14490.9270 253.9012 -203888.9690 2954.4705 0.0000 0.0000 51983.1851 -109717.4640 298.7481 -161700.6490 -109351.6479 298.5477 -17.8969 12.1106 761490.2350 -1.2511 -1.1137 PRESSURE: 1595800 -428.381 -97.017 97.8571 -97.0168 17.1519 -264.399 97.858 -264.399 -67.7818 GPRESSURE: 1595800 -373.342 -10.0957 95.969 -111.792 19.3477 -193.457 71.5553 -181.818 -46.9197 PRESSAVG: 1595800 5.1152 -4.14291 51.1057 -4.14296 24.8198 -0.185596 51.1057 -0.185513 9.68288 GPRESSAVG: 1595800 5.31131 -4.13019 50.1331 -5.60799 24.6077 0.0760725 51.4943 -3.04458 9.44497 TIMING: 1595800 CPU: 5045.19, 0.00315622/step Wall: 5045.19, 0.00315622/step, 2.98456 hours remaining, 238.207031 MB of memory in use. ENERGY: 1595800 3968.9082 20630.6786 14433.1413 259.2846 -202992.9730 2311.5365 0.0000 0.0000 51887.6683 -109501.7554 298.1991 -161389.4237 -109131.9433 299.0280 -159.6701 -133.6381 761815.7582 13.2060 13.1213 PRESSURE: 1596000 131.599 152.784 145.527 152.783 280.024 -64.6233 145.528 -64.6233 299.383 GPRESSURE: 1596000 242.492 151.95 133.886 128.222 284.67 -128.969 103.984 24.5688 242.086 PRESSAVG: 1596000 19.1266 69.3576 39.0484 69.3576 -45.2159 -43.4116 39.0483 -43.4115 -1.34242 GPRESSAVG: 1596000 20.0097 68.539 37.6199 69.6291 -45.9562 -45.2188 39.9457 -40.6535 -1.37356 TIMING: 1596000 CPU: 5045.83, 0.00318184/step Wall: 5045.83, 0.00318184/step, 3.00861 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: 1596000 3893.6274 20448.1901 14516.1469 248.4725 -203259.3170 2648.5830 0.0000 0.0000 52107.0192 -109397.2778 299.4598 -161504.2971 -109028.8568 298.4704 237.0022 256.4158 760905.1627 -9.1439 -9.1067 PRESSURE: 1596200 -47.8642 15.1919 -87.1804 15.1916 -20.4624 371.064 -87.1796 371.064 -247.365 GPRESSURE: 1596200 -63.709 15.6808 -88.9742 22.2824 15.4633 383.432 22.5121 197.159 -172.747 PRESSAVG: 1596200 -12.9506 -64.1707 38.1163 -64.1707 -2.27825 -7.42767 38.1163 -7.4277 -2.38907 GPRESSAVG: 1596200 -13.9128 -64.7983 38.9048 -62.5978 -1.4273 -6.65695 38.5006 -9.83326 -2.23963 TIMING: 1596200 CPU: 5046.46, 0.00317208/step Wall: 5046.46, 0.00317208/step, 2.99921 hours remaining, 238.207031 MB of memory in use. ENERGY: 1596200 3894.8995 20604.9876 14524.5074 250.7333 -203222.8283 2464.2536 0.0000 0.0000 52141.1744 -109342.2724 299.6560 -161483.4469 -108965.5176 299.1333 -105.2304 -73.6643 761400.2333 -5.8726 -5.8599 LDB: ============= START OF LOAD BALANCING ============== 5059 LDB: ============== END OF LOAD BALANCING =============== 5059 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5059 LDB: ============= START OF LOAD BALANCING ============== 5059.32 LDB: Largest compute 7037 load 0.033346 is 17.1% of average load 0.195353 LDB: Average compute 0.004400 is 2.3% of average load 0.195353 LDB: TIME 5059.32 LOAD: AVG 0.195353 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.602 MB LDB: TIME 5059.32 LOAD: AVG 0.195353 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 5059.32 LOAD: AVG 0.195353 MAX 0.214367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 5059.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5059.33 PRESSURE: 1596400 -7.3343 86.3695 -169.184 86.3698 -162.852 -31.8041 -169.184 -31.8044 124.243 GPRESSURE: 1596400 -44.727 -31.5113 -91.2404 -34.4304 -40.9153 0.614674 50.794 18.1163 126.449 PRESSAVG: 1596400 -21.0864 13.3051 -2.84347 13.3052 32.2057 -13.7179 -2.8435 -13.7179 8.47163 GPRESSAVG: 1596400 -19.7541 14.0946 -2.20416 12.8527 31.0843 -13.492 -4.03296 -11.8664 7.87917 TIMING: 1596400 CPU: 5047.11, 0.00322628/step Wall: 5047.11, 0.00322628/step, 3.05026 hours remaining, 234.675781 MB of memory in use. ENERGY: 1596400 4011.6799 20524.0273 14465.2993 251.5545 -203520.9755 2714.0892 0.0000 0.0000 52245.6787 -109308.6466 300.2566 -161554.3253 -108944.7323 299.4170 -15.3145 13.6024 760441.1309 6.5303 6.4031 PRESSURE: 1596600 -33.2447 -120.168 36.3355 -120.168 -74.151 -54.2364 36.3353 -54.2363 328.41 GPRESSURE: 1596600 72.3827 -24.7992 -21.4324 -109.841 -52.8389 -98.8638 -39.384 26.1714 280.022 PRESSAVG: 1596600 75.2929 17.1242 -40.4104 17.1242 -26.5807 -22.9398 -40.4104 -22.9397 -1.57628 GPRESSAVG: 1596600 73.967 19.6868 -41.0503 13.8813 -26.1437 -24.2747 -40.3487 -24.747 -0.615397 TIMING: 1596600 CPU: 5047.75, 0.00318314/step Wall: 5047.75, 0.00318314/step, 3.00931 hours remaining, 234.675781 MB of memory in use. ENERGY: 1596600 3970.7778 20608.0248 14536.4365 242.3346 -203661.8616 2907.6982 0.0000 0.0000 52148.6752 -109247.9145 299.6992 -161396.5897 -108882.8648 299.5784 73.6716 99.8553 761332.7518 15.7120 15.7360 PRESSURE: 1596800 -321.595 109.552 14.8541 109.551 -134.555 26.8006 14.8551 26.8001 31.2283 GPRESSURE: 1596800 -308.524 54.2779 -60.7136 97.7625 -54.2034 8.51868 40.9801 133.099 23.9959 PRESSAVG: 1596800 65.5491 -6.31027 -59.3421 -6.31021 -14.1821 13.7855 -59.3421 13.7856 -3.38369 GPRESSAVG: 1596800 65.0139 -8.99907 -58.439 -5.38192 -12.8524 15.6585 -58.7907 15.2996 -3.75995 TIMING: 1596800 CPU: 5048.38, 0.00317791/step Wall: 5048.38, 0.00317791/step, 3.00418 hours remaining, 234.675781 MB of memory in use. ENERGY: 1596800 4002.0306 20779.4295 14513.9534 262.3426 -203276.8856 2282.4414 0.0000 0.0000 52043.6472 -109393.0409 299.0956 -161436.6881 -109034.1126 299.1220 -141.6408 -112.9103 761550.0026 15.9945 16.1339 PRESSURE: 1597000 -54.9133 -110.167 88.748 -110.167 -183.316 27.9725 88.7479 27.9746 -324.833 GPRESSURE: 1597000 -84.9479 -34.2588 43.3761 -103.008 -146.173 41.27 -36.793 -28.4418 -242.155 PRESSAVG: 1597000 0.481449 -68.2849 -53.2716 -68.2849 46.6632 -5.91397 -53.2716 -5.91392 7.79827 GPRESSAVG: 1597000 1.17564 -68.4602 -55.3165 -65.7155 46.7893 -7.60018 -53.7885 -8.17827 7.27256 TIMING: 1597000 CPU: 5049.02, 0.00316932/step Wall: 5049.02, 0.00316932/step, 2.99589 hours remaining, 234.675781 MB of memory in use. ENERGY: 1597000 4073.1615 20609.5358 14539.9945 270.7587 -203662.7925 2589.6319 0.0000 0.0000 52283.1535 -109296.5566 300.4720 -161579.7101 -108931.6000 299.4568 -187.6873 -157.7588 759852.6885 18.3143 18.4125 PRESSURE: 1597200 -328.357 -94.6984 -229.363 -94.6986 52.555 211.784 -229.364 211.784 -177.945 GPRESSURE: 1597200 -294.967 -106.67 -275.978 -136.673 27.9141 228.52 -223.672 155.604 -109.966 PRESSAVG: 1597200 -7.32575 -54.5737 -19.4094 -54.5737 12.6377 2.56345 -19.4094 2.56352 -1.58962 GPRESSAVG: 1597200 -7.21982 -53.9111 -18.5871 -56.0988 11.463 4.71412 -18.3024 2.71573 -0.216744 TIMING: 1597200 CPU: 5049.65, 0.00316548/step Wall: 5049.65, 0.00316548/step, 2.99208 hours remaining, 234.878906 MB of memory in use. ENERGY: 1597200 4002.8392 20634.7875 14537.3496 238.5169 -203242.7741 2497.5580 0.0000 0.0000 52104.1748 -109227.5482 299.4434 -161331.7230 -108853.0449 299.5956 -151.2491 -125.6729 762764.4990 1.2408 1.3422 PRESSURE: 1597400 -23.171 -205.137 23.0129 -205.136 -212.918 -130.778 23.0133 -130.779 -209.014 GPRESSURE: 1597400 -32.615 -167.48 -71.8199 -186.394 -106.849 -184.402 10.95 -14.3273 -223.415 PRESSAVG: 1597400 -20.7499 -23.7786 -13.2398 -23.7786 -14.47 17.098 -13.2398 17.098 14.0421 GPRESSAVG: 1597400 -20.7412 -23.8244 -14.9398 -23.6527 -13.324 15.514 -11.158 17.524 12.5962 TIMING: 1597400 CPU: 5050.28, 0.00317656/step Wall: 5050.28, 0.00317656/step, 3.00238 hours remaining, 234.878906 MB of memory in use. ENERGY: 1597400 3949.8640 20627.3295 14558.9199 228.2857 -203408.0332 2590.0199 0.0000 0.0000 52070.5570 -109383.0572 299.2502 -161453.6141 -109018.3895 298.7241 -148.3678 -120.9594 762087.1972 -7.0593 -7.1563 PRESSURE: 1597600 -247.322 -4.66418 -321.395 -4.66429 -208.154 -44.6247 -321.394 -44.6262 123.896 GPRESSURE: 1597600 -95.0576 -125.645 -295.033 -12.3775 -199.505 -55.5907 -309.613 -64.3034 57.3205 PRESSAVG: 1597600 3.21635 -9.31382 -38.4594 -9.31383 4.10783 -3.941 -38.4595 -3.941 -5.07344 GPRESSAVG: 1597600 3.28479 -9.18596 -36.6548 -9.17119 2.26956 -4.5969 -42.2852 -2.80991 -3.47737 TIMING: 1597600 CPU: 5050.92, 0.00316154/step Wall: 5050.92, 0.00316154/step, 2.988 hours remaining, 234.878906 MB of memory in use. ENERGY: 1597600 3888.4270 20492.7011 14515.2023 242.3125 -203174.1359 2564.2669 0.0000 0.0000 52247.2771 -109223.9490 300.2658 -161471.2261 -108855.9218 299.5741 -110.5268 -79.0808 762557.8403 0.7502 0.6923 PRESSURE: 1597800 248.916 126.523 148.011 126.524 83.7653 136.747 148.012 136.747 290.598 GPRESSURE: 1597800 221.973 270.514 113.037 48.4412 198.894 127.283 182.942 172.147 290.325 PRESSAVG: 1597800 20.8112 -9.37166 -28.9182 -9.37166 -27.3629 -28.229 -28.9182 -28.229 18.4401 GPRESSAVG: 1597800 20.1559 -10.0013 -29.4224 -11.4124 -25.4054 -27.7709 -28.0011 -29.2504 17.2868 TIMING: 1597800 CPU: 5051.55, 0.00315042/step Wall: 5051.55, 0.00315042/step, 2.97732 hours remaining, 234.878906 MB of memory in use. ENERGY: 1597800 3960.8654 20584.4789 14586.3144 264.5694 -203603.2843 3009.0313 0.0000 0.0000 51784.1173 -109413.9075 297.6040 -161198.0249 -109053.0986 298.8078 207.7598 237.0640 764402.8617 3.9628 4.0124 PRESSURE: 1598000 -265.787 -27.2785 46.1931 -27.278 -188.195 204.913 46.1939 204.913 -10.8283 GPRESSURE: 1598000 -290.379 77.0373 35.5495 61.5905 -199.49 178.303 -23.5253 89.5034 62.3757 PRESSAVG: 1598000 55.2498 -96.1593 -83.5954 -96.1592 -41.7179 11.1864 -83.5954 11.1864 -6.31528 GPRESSAVG: 1598000 55.1959 -94.5624 -83.9765 -94.9073 -41.9159 11.3613 -84.5353 10.8092 -5.69384 TIMING: 1598000 CPU: 5052.18, 0.00316344/step Wall: 5052.18, 0.00316344/step, 2.98945 hours remaining, 234.878906 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: 1598000 3960.2297 20648.0356 14579.9200 235.7811 -203176.6140 2596.9087 0.0000 0.0000 51759.9384 -109395.8004 297.4651 -161155.7388 -109038.8698 299.0313 -154.9369 -142.4977 763993.2952 2.4055 2.5287 PRESSURE: 1598200 168.15 -206.105 40.6502 -206.104 204.476 36.7409 40.6497 36.7423 -8.08005 GPRESSURE: 1598200 174.028 -192.238 -21.5281 -192.244 245.327 54.6048 174.475 24.5774 36.6043 PRESSAVG: 1598200 -4.72629 -88.9774 -43.1378 -88.9773 33.2087 43.5908 -43.1378 43.5908 21.7247 GPRESSAVG: 1598200 -3.82001 -89.5332 -43.1981 -89.1744 32.6963 44.3037 -40.8503 43.5428 21.3322 TIMING: 1598200 CPU: 5052.81, 0.00316181/step Wall: 5052.81, 0.00316181/step, 2.98774 hours remaining, 234.878906 MB of memory in use. ENERGY: 1598200 3910.2689 20494.0731 14589.7889 260.4241 -203423.7288 2927.6027 0.0000 0.0000 51895.4522 -109346.1189 298.2439 -161241.5711 -108974.9156 298.8307 121.5152 151.9862 763169.5502 16.7357 16.7361 PRESSURE: 1598400 -340.283 32.3627 54.7289 32.363 39.2146 147.914 54.7292 147.913 289.843 GPRESSURE: 1598400 -283.458 -15.09 8.70354 -9.26365 81.478 120.081 27.9316 90.7041 262.992 PRESSAVG: 1598400 -21.8989 -54.6095 -24.5661 -54.6094 -13.4937 15.2359 -24.5662 15.2359 -14.7086 GPRESSAVG: 1598400 -21.3466 -55.1634 -24.7984 -54.2539 -14.4688 13.5601 -26.1509 18.6025 -14.1744 TIMING: 1598400 CPU: 5053.44, 0.00312465/step Wall: 5053.44, 0.00312465/step, 2.95244 hours remaining, 234.878906 MB of memory in use. ENERGY: 1598400 3975.4971 20448.9006 14472.4926 229.7664 -203226.8953 2556.9983 0.0000 0.0000 52101.5651 -109441.6750 299.4284 -161543.2401 -109083.3164 298.6740 -3.7418 20.3371 762408.1489 -16.7004 -16.6633 PRESSURE: 1598600 119.258 98.5428 93.2672 98.5429 -163.24 63.4953 93.2678 63.4948 340.434 GPRESSURE: 1598600 180.742 65.7737 156.229 16.5386 -105.579 18.5394 17.5243 -10.3725 285.738 PRESSAVG: 1598600 8.27759 -46.3713 -84.8646 -46.3713 0.190496 59.1322 -84.8646 59.1322 -3.39645 GPRESSAVG: 1598600 7.82987 -46.6515 -83.9125 -46.9343 1.01178 60.6114 -84.4729 55.38 -4.0247 TIMING: 1598600 CPU: 5054.07, 0.00314166/step Wall: 5054.07, 0.00314166/step, 2.96834 hours remaining, 234.878906 MB of memory in use. ENERGY: 1598600 3998.3306 20535.8101 14473.5946 247.5638 -203279.1353 2718.9346 0.0000 0.0000 51972.4586 -109332.4430 298.6864 -161304.9016 -108966.9579 298.9443 98.8173 120.3004 763314.0327 1.6905 1.6056 PRESSURE: 1598800 186.08 72.5702 89.012 72.5704 -543.556 -55.9795 89.0111 -55.9783 -475.876 GPRESSURE: 1598800 197.87 47.1135 51.8864 -8.78016 -574.293 -102.741 167.769 -12.3939 -373.558 PRESSAVG: 1598800 52.6502 -48.5769 -49.2509 -48.5768 -60.8464 30.9828 -49.2509 30.9826 -3.57113 GPRESSAVG: 1598800 52.8214 -47.444 -50.5251 -48.1486 -61.2378 29.7989 -48.4929 32.7554 -3.42642 TIMING: 1598800 CPU: 5054.7, 0.00314995/step Wall: 5054.7, 0.00314995/step, 2.976 hours remaining, 234.878906 MB of memory in use. ENERGY: 1598800 3992.0140 20435.7078 14574.0436 248.6483 -203144.7614 2644.8799 0.0000 0.0000 52052.3753 -109197.0925 299.1457 -161249.4678 -108834.7605 299.1036 -277.7841 -249.9938 764668.9050 -3.9224 -3.9476 PRESSURE: 1599000 -82.8172 171.271 -89.5476 171.271 211.481 -146.716 -89.5472 -146.716 -378.234 GPRESSURE: 1599000 -31.2766 204.4 69.9745 250.464 120.649 -105.865 -156.659 -138.286 -252.169 PRESSAVG: 1599000 4.06482 -60.9131 -32.1685 -60.9132 7.68278 -28.2956 -32.1685 -28.2955 0.538567 GPRESSAVG: 1599000 3.83633 -61.8179 -31.9436 -62.2133 7.4814 -26.2983 -31.298 -29.5412 1.07084 TIMING: 1599000 CPU: 5055.32, 0.00313703/step Wall: 5055.32, 0.00313703/step, 2.96362 hours remaining, 234.878906 MB of memory in use. ENERGY: 1599000 4011.1137 20494.3134 14567.0872 247.2805 -203583.2126 3006.4171 0.0000 0.0000 51859.6438 -109397.3569 298.0381 -161257.0007 -109043.7177 299.0284 -83.1901 -54.2656 763352.9663 4.0954 4.1295 PRESSURE: 1599200 -23.8759 -122.427 -324.936 -122.427 81.7762 184.598 -324.937 184.598 -72.1016 GPRESSURE: 1599200 -64.2337 -63.1142 -317.721 -155.1 171.082 216.505 -258.358 169.598 -70.6335 PRESSAVG: 1599200 24.2458 -35.9985 -114.893 -35.9985 -10.2488 12.6155 -114.893 12.6155 -3.20406 GPRESSAVG: 1599200 23.7104 -36.4518 -114.215 -34.299 -10.24 11.9313 -116.846 13.2263 -3.26549 TIMING: 1599200 CPU: 5055.95, 0.00312984/step Wall: 5055.95, 0.00312983/step, 2.95665 hours remaining, 234.878906 MB of memory in use. ENERGY: 1599200 4008.0325 20612.2253 14516.4971 233.0304 -203407.5512 2899.0940 0.0000 0.0000 51901.8515 -109236.8204 298.2807 -161138.6719 -108881.4533 298.9948 -4.7338 12.0715 761929.8570 3.5977 3.4016 PRESSURE: 1599400 4.96979 1.50709 141.131 1.50783 83.2229 168.027 141.131 168.027 301.143 GPRESSURE: 1599400 -32.3117 -83.5539 37.1962 123.658 135.598 148.365 48.1433 190.578 349.472 PRESSAVG: 1599400 35.3303 -20.1271 -8.64776 -20.1271 -17.8045 -25.1691 -8.64774 -25.1691 -10.5239 GPRESSAVG: 1599400 35.422 -18.6406 -10.6724 -21.76 -17.7363 -24.5733 -7.27244 -26.1202 -10.8584 TIMING: 1599400 CPU: 5056.58, 0.00314566/step Wall: 5056.58, 0.00314566/step, 2.97142 hours remaining, 234.878906 MB of memory in use. ENERGY: 1599400 3946.8734 20478.5078 14562.2313 258.7552 -203473.0674 2962.1352 0.0000 0.0000 51958.8496 -109305.7149 298.6082 -161264.5645 -108944.4032 299.4230 129.7785 150.9197 763175.5431 2.3340 2.2758 PRESSURE: 1599600 106.003 66.8328 59.1792 66.8322 -123.205 -106.986 59.1793 -106.985 -268.764 GPRESSURE: 1599600 128.122 -83.0881 5.69899 -91.1334 -33.2187 -139.508 202.202 -40.003 -283.541 PRESSAVG: 1599600 32.6596 -25.2357 -0.642146 -25.2358 -29.8826 0.188251 -0.642124 0.188248 0.286379 GPRESSAVG: 1599600 32.5072 -27.339 0.274075 -25.6768 -28.7817 -1.51037 -1.73789 2.05543 -0.708253 TIMING: 1599600 CPU: 5057.21, 0.00316412/step Wall: 5057.21, 0.00316412/step, 2.98868 hours remaining, 234.878906 MB of memory in use. ENERGY: 1599600 3930.9804 20836.7832 14590.9185 235.9235 -203129.7300 2577.9627 0.0000 0.0000 52170.4812 -108786.6804 299.8245 -160957.1616 -108434.0759 299.9541 -95.3220 -62.8792 762642.1691 1.0211 1.0058 PRESSURE: 1599800 -72.6673 104.283 67.5544 104.283 265.008 -83.9682 67.5545 -83.9677 -6.87456 GPRESSURE: 1599800 -105.928 73.8963 68.5246 189.679 285.291 -39.5122 122.535 -126.932 70.4879 PRESSAVG: 1599800 3.99269 -36.1427 5.96732 -36.1427 8.4813 -5.12674 5.96733 -5.12673 -5.67357 GPRESSAVG: 1599800 2.84539 -34.1488 6.49531 -35.2735 8.03774 -4.89677 5.84206 -6.53906 -4.47125 TIMING: 1599800 CPU: 5057.84, 0.00315811/step Wall: 5057.84, 0.00315811/step, 2.98283 hours remaining, 234.878906 MB of memory in use. ENERGY: 1599800 3960.8931 20591.1468 14524.7761 251.8866 -203929.5395 3440.2346 0.0000 0.0000 52278.3595 -108882.2428 300.4445 -161160.6023 -108519.9644 300.2611 61.8220 83.2837 761594.1872 2.2668 2.1373 PRESSURE: 1600000 147.638 -5.2123 -164.573 -5.21233 25.3468 59.9464 -164.574 59.9466 -369.273 GPRESSURE: 1600000 100.708 -46.8944 -118.43 -165.083 108.94 148.849 -161.747 32.1562 -330.025 PRESSAVG: 1600000 -32.9718 -58.0359 -22.6691 -58.0359 -2.11714 34.6784 -22.669 34.6784 18.3373 GPRESSAVG: 1600000 -33.0075 -56.5104 -21.8618 -60.9328 -1.145 35.8099 -23.7505 33.9656 17.7666 TIMING: 1600000 CPU: 5058.48, 0.00320414/step Wall: 5058.48, 0.00320414/step, 3.02613 hours remaining, 234.878906 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: 1600000 3960.8619 20610.1538 14487.5859 233.2552 -203118.9344 2697.4363 0.0000 0.0000 52092.5513 -109037.0900 299.3766 -161129.6413 -108680.2038 300.2296 -65.4294 -40.1255 762026.3231 -5.5839 -5.4620 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.1.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 -557.229 -82.9176 194.39 -82.918 -202.026 -70.7233 194.39 -70.723 -220.918 GPRESSURE: 1600200 -477.278 -136.898 167.111 -147.052 -232.035 -149.892 233.67 -12.7852 -193.335 PRESSAVG: 1600200 39.6951 -2.51985 -24.1788 -2.51985 6.99249 11.7601 -24.1788 11.76 -3.11962 GPRESSAVG: 1600200 40.8521 -6.10726 -24.6228 -0.0406771 5.33185 9.96264 -22.3766 12.7041 -2.21964 TIMING: 1600200 CPU: 5059.15, 0.00333633/step Wall: 5059.15, 0.00333633/step, 3.15079 hours remaining, 234.878906 MB of memory in use. ENERGY: 1600200 3999.7002 20698.8594 14536.0383 258.4386 -203596.7314 2737.9745 0.0000 0.0000 52107.3404 -109258.3800 299.4616 -161365.7204 -108899.2534 299.4392 -326.7244 -300.8828 763263.2800 14.5227 14.6548 LDB: ============= START OF LOAD BALANCING ============== 5071.69 LDB: ============== END OF LOAD BALANCING =============== 5071.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5071.69 LDB: ============= START OF LOAD BALANCING ============== 5072.01 LDB: Largest compute 7048 load 0.032156 is 16.5% of average load 0.195463 LDB: Average compute 0.004401 is 2.3% of average load 0.195463 LDB: TIME 5072.01 LOAD: AVG 0.195463 MAX 0.218658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.219 MB LDB: TIME 5072.01 LOAD: AVG 0.195463 MAX 0.218658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: TIME 5072.01 LOAD: AVG 0.195463 MAX 0.217948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: ============== END OF LOAD BALANCING =============== 5072.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5072.02 PRESSURE: 1600400 -109.161 -11.0514 -221.163 -11.051 246.911 33.6747 -221.163 33.6738 -55.6095 GPRESSURE: 1600400 -29.0043 67.5944 -213.892 -29.1111 248.005 -67.7108 -143.062 -17.83 -66.5855 PRESSAVG: 1600400 -16.2965 -54.7089 -13.7512 -54.7089 -24.601 -41.4336 -13.7511 -41.4335 -4.68739 GPRESSAVG: 1600400 -16.8693 -54.1825 -14.8014 -53.4214 -23.4617 -41.7357 -14.0459 -42.8148 -5.50558 TIMING: 1600400 CPU: 5059.8, 0.00326823/step Wall: 5059.8, 0.00326823/step, 3.0863 hours remaining, 236.093750 MB of memory in use. ENERGY: 1600400 4030.1520 20596.2987 14590.4065 227.5464 -203482.1198 2669.3965 0.0000 0.0000 52024.9298 -109343.3899 298.9880 -161368.3197 -108967.5447 299.3708 27.3801 50.8050 763236.9741 -15.1950 -15.2789 PRESSURE: 1600600 -83.1654 -14.8543 146.136 -14.855 -122.577 -23.524 146.135 -23.5241 -393.459 GPRESSURE: 1600600 -97.1112 -32.5348 180.19 -36.1093 -13.5988 -4.50471 181.973 -16.8093 -400.923 PRESSAVG: 1600600 -14.4225 -51.9271 44.8259 -51.9272 62.7994 36.6398 44.8259 36.6398 -12.4215 GPRESSAVG: 1600600 -14.3411 -49.4539 45.7085 -53.8921 61.8834 38.1597 44.6578 36.9445 -11.1053 TIMING: 1600600 CPU: 5060.44, 0.00317991/step Wall: 5060.44, 0.00317991/step, 3.00272 hours remaining, 236.296875 MB of memory in use. ENERGY: 1600600 4015.1768 20567.8623 14603.5558 248.6526 -203197.5743 2439.4141 0.0000 0.0000 51889.5303 -109433.3825 298.2098 -161322.9128 -109077.7405 298.4077 -199.7337 -170.5445 762972.3503 11.9851 12.1457 PRESSURE: 1600800 -552.357 14.3301 -154.29 14.331 -119.99 -27.2943 -154.29 -27.2939 -43.7026 GPRESSURE: 1600800 -468.98 -83.5976 -65.2267 49.3886 -127.382 72.1591 -147.887 10.5667 -48.8059 PRESSAVG: 1600800 23.1231 -117.954 55.8426 -117.954 -30.0907 26.6012 55.8426 26.6014 9.44144 GPRESSAVG: 1600800 22.4522 -119.186 56.0177 -118.12 -29.9246 27.7433 55.9078 27.0424 9.92874 TIMING: 1600800 CPU: 5061.08, 0.00318422/step Wall: 5061.08, 0.00318422/step, 3.00662 hours remaining, 236.296875 MB of memory in use. ENERGY: 1600800 3943.0473 20507.9481 14573.4247 236.5309 -203484.6062 2690.2336 0.0000 0.0000 52039.1412 -109494.2803 299.0697 -161533.4215 -109125.8281 298.7601 -238.6833 -215.0561 764038.6518 0.8246 0.8188 PRESSURE: 1601000 111.001 -58.3591 -146.511 -58.3592 -154.369 199.528 -146.511 199.526 -230.741 GPRESSURE: 1601000 -7.19881 -61.0279 -62.5671 -111.078 17.4123 246.423 -85.4896 283.927 -205.05 PRESSAVG: 1601000 -21.9946 -75.2023 -20.3555 -75.2023 -8.12954 2.65029 -20.3554 2.6503 2.34657 GPRESSAVG: 1601000 -21.5773 -74.2766 -19.4115 -76.0661 -7.17676 1.31228 -22.3962 4.18778 0.409238 TIMING: 1601000 CPU: 5061.71, 0.0031703/step Wall: 5061.71, 0.0031703/step, 2.99329 hours remaining, 236.296875 MB of memory in use. ENERGY: 1601000 3924.3417 20402.8720 14646.9286 257.6593 -203124.4548 2585.4868 0.0000 0.0000 51842.4870 -109464.6795 297.9395 -161307.1665 -109096.5960 298.6108 -91.3695 -64.9454 763529.1234 -9.2592 -9.4483 PRESSURE: 1601200 -68.7713 -110.768 116.177 -110.769 -219.609 -37.0579 116.177 -37.0594 -66.6769 GPRESSURE: 1601200 -27.5766 -199.788 142.937 -227.597 -212.494 26.0725 243.904 -123.057 -25.3529 PRESSAVG: 1601200 -0.343489 -32.5782 -2.13713 -32.5782 60.0407 42.1736 -2.13714 42.1736 -32.511 GPRESSAVG: 1601200 -0.555584 -34.0287 -2.75808 -32.1287 60.1293 41.8666 -1.12467 40.0246 -31.826 TIMING: 1601200 CPU: 5062.34, 0.00315303/step Wall: 5062.34, 0.00315303/step, 2.97681 hours remaining, 236.296875 MB of memory in use. ENERGY: 1601200 3878.0564 20273.7424 14615.0411 241.5583 -203361.5804 2771.1450 0.0000 0.0000 52057.0283 -109525.0088 299.1725 -161582.0371 -109159.6843 298.5419 -118.3524 -88.4745 761998.1552 9.0621 9.2492 PRESSURE: 1601400 93.3276 69.1844 -104.142 69.1843 165.208 153.071 -104.142 153.071 -53.8746 GPRESSURE: 1601400 140.973 -2.78899 -99.2025 6.18029 213.547 137.789 61.1474 146.5 -62.1104 PRESSAVG: 1601400 -26.283 -38.6469 3.02186 -38.6469 39.3936 -40.9097 3.02187 -40.9097 -6.11158 GPRESSAVG: 1601400 -26.534 -39.3415 2.14433 -38.7002 39.0587 -41.1405 3.67295 -40.4881 -6.08815 TIMING: 1601400 CPU: 5062.98, 0.00319697/step Wall: 5062.98, 0.00319697/step, 3.01811 hours remaining, 236.296875 MB of memory in use. ENERGY: 1601400 3911.4413 20525.2195 14500.1379 240.9531 -203696.2945 2877.9172 0.0000 0.0000 52070.4278 -109570.1978 299.2495 -161640.6256 -109219.5838 298.1007 68.2204 97.4698 762430.7746 2.3330 2.1455 PRESSURE: 1601600 -290.842 -172.297 150.537 -172.297 138.027 19.1154 150.538 19.1162 -525.889 GPRESSURE: 1601600 -185.131 -208.042 143.338 -197.524 66.7297 -49.2233 -71.369 43.5009 -477.76 PRESSAVG: 1601600 -22.4296 -74.3921 2.61578 -74.3922 1.8268 -21.7008 2.61578 -21.7008 -0.768361 GPRESSAVG: 1601600 -22.3433 -73.3772 2.39606 -71.8893 1.82558 -22.6323 1.76437 -20.3534 -0.593048 TIMING: 1601600 CPU: 5063.62, 0.0031731/step Wall: 5063.62, 0.0031731/step, 2.99541 hours remaining, 236.296875 MB of memory in use. ENERGY: 1601600 3954.3847 20556.9448 14551.1941 241.9597 -203471.1974 2690.9328 0.0000 0.0000 51975.9825 -109499.7987 298.7067 -161475.7812 -109156.5831 298.6864 -226.2349 -198.7206 763643.2465 -7.1237 -7.0369 PRESSURE: 1601800 -311.239 -245.488 96.096 -245.488 -316.621 8.0119 96.0952 8.01293 -94.9039 GPRESSURE: 1601800 -290.501 -209.718 90.8652 -175.929 -205.706 -60.3472 155.95 149.645 -138.762 PRESSAVG: 1601800 20.8635 -58.4552 9.92796 -58.4553 0.144076 -40.2032 9.92799 -40.2031 11.434 GPRESSAVG: 1601800 21.2008 -58.8948 11.554 -59.2807 -0.315723 -40.3391 8.96419 -40.2002 11.7804 TIMING: 1601800 CPU: 5064.25, 0.00317192/step Wall: 5064.25, 0.00317193/step, 2.99412 hours remaining, 236.296875 MB of memory in use. ENERGY: 1601800 4022.7976 20515.9469 14564.8473 264.0575 -202866.9773 2338.0472 0.0000 0.0000 51833.9753 -109327.3055 297.8906 -161161.2808 -108982.9938 298.7444 -240.9214 -211.6563 763919.1669 10.8138 10.8885 PRESSURE: 1602000 72.7809 223.946 87.1967 223.947 16.3019 45.8082 87.197 45.8074 360.844 GPRESSURE: 1602000 117.172 241.219 20.0512 164.95 56.641 49.3404 89.7951 -7.88983 355.634 PRESSAVG: 1602000 -6.52138 -31.0528 -75.2055 -31.0528 29.0079 -11.0439 -75.2055 -11.044 13.6608 GPRESSAVG: 1602000 -4.79645 -27.6221 -77.0939 -35.5484 28.87 -10.1518 -72.887 -10.8768 12.2737 TIMING: 1602000 CPU: 5064.89, 0.00317976/step Wall: 5064.89, 0.00317976/step, 3.00134 hours remaining, 236.296875 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: 1602000 3975.1244 20433.8387 14531.7855 245.0867 -203296.2894 2684.3358 0.0000 0.0000 52095.5532 -109330.5650 299.3939 -161426.1183 -108965.2245 298.5819 149.9756 176.4824 763507.2420 12.0491 12.1157 PRESSURE: 1602200 -334.36 -139.415 -306.04 -139.414 -394.904 -101.177 -306.04 -101.178 2.19026 GPRESSURE: 1602200 -270.579 -143.227 -268.024 -279.554 -326.204 -124.35 -325.416 -105.029 -55.0116 PRESSAVG: 1602200 -85.6185 -32.3407 -23.0387 -32.3407 50.2293 -26.6064 -23.0386 -26.6065 1.33518 GPRESSAVG: 1602200 -85.3912 -36.0924 -21.9631 -27.8586 49.085 -27.8285 -23.2534 -27.2518 2.40837 TIMING: 1602200 CPU: 5065.52, 0.00316586/step Wall: 5065.52, 0.00316585/step, 2.98804 hours remaining, 236.296875 MB of memory in use. ENERGY: 1602200 4027.0345 20677.2856 14601.5439 240.2253 -203465.1109 2698.1549 0.0000 0.0000 51914.1607 -109306.7059 298.3514 -161220.8666 -108946.9024 298.8623 -242.3579 -217.2649 763539.3583 -11.3513 -11.2993 PRESSURE: 1602400 116.608 112.458 187.661 112.459 41.2233 -75.0151 187.661 -75.0148 -39.4748 GPRESSURE: 1602400 210.565 60.5904 271.982 52.1242 37.1554 -78.5007 289.538 -10.7352 -44.9688 PRESSAVG: 1602400 -11.2193 -36.4934 16.4226 -36.4934 5.23648 6.58147 16.4226 6.58145 -2.23856 GPRESSAVG: 1602400 -11.8506 -35.942 17.7137 -37.1026 5.82494 7.24522 17.0028 7.24902 -1.59453 TIMING: 1602400 CPU: 5066.16, 0.00318396/step Wall: 5066.16, 0.00318396/step, 3.00495 hours remaining, 236.296875 MB of memory in use. ENERGY: 1602400 4018.2889 20668.7487 14600.7300 242.3649 -203753.0759 2976.8774 0.0000 0.0000 52047.2821 -109198.7840 299.1164 -161246.0661 -108846.3166 299.2094 39.4522 67.5837 761356.0920 -2.7405 -2.5401 PRESSURE: 1602600 -155.593 18.1835 216.008 18.1835 -283.049 -29.7158 216.009 -29.7155 -275.052 GPRESSURE: 1602600 -173.105 -89.0564 237.067 92.9456 -230.801 -129.836 179.509 -80.7168 -242.796 PRESSAVG: 1602600 11.092 -19.1278 -11.4607 -19.1277 23.3002 21.8829 -11.4607 21.8829 -0.84983 GPRESSAVG: 1602600 9.59806 -20.1876 -10.661 -19.588 24.6661 22.2643 -12.4966 21.1055 -1.17834 TIMING: 1602600 CPU: 5066.79, 0.00317441/step Wall: 5066.79, 0.00317441/step, 2.99576 hours remaining, 236.296875 MB of memory in use. ENERGY: 1602600 4012.1198 20604.3682 14621.1494 262.0386 -203194.0930 2651.1318 0.0000 0.0000 51864.8760 -109178.4092 298.0682 -161043.2852 -108816.4588 299.2511 -237.8979 -215.5675 761645.0006 11.1808 11.0286 PRESSURE: 1602800 115.118 -26.4997 -55.0755 -26.4997 142.758 -9.5074 -55.0757 -9.50816 -369.781 GPRESSURE: 1602800 202.425 24.0171 -72.4626 67.822 95.5207 -40.5458 60.4782 5.77236 -320.638 PRESSAVG: 1602800 -8.90696 -23.4776 -0.498882 -23.4775 -1.49014 -2.97903 -0.498874 -2.97913 -15.5137 GPRESSAVG: 1602800 -8.59738 -23.9075 -2.85549 -22.017 -1.56814 -1.85832 -0.802534 -3.67039 -15.8229 TIMING: 1602800 CPU: 5067.43, 0.00319692/step Wall: 5067.43, 0.00319692/step, 3.01682 hours remaining, 236.296875 MB of memory in use. ENERGY: 1602800 3979.9325 20575.6308 14589.9596 261.7615 -203222.1675 2867.7342 0.0000 0.0000 51778.0909 -109169.0581 297.5694 -160947.1490 -108805.8629 299.2861 -37.3015 -7.5640 762432.8099 -8.6369 -8.6628 PRESSURE: 1603000 -117.346 41.6414 91.1494 41.6418 94.4633 40.7221 91.1494 40.7234 -2.03659 GPRESSURE: 1603000 -119.917 54.9284 -6.79507 169.93 117.807 34.2868 112.092 -30.8083 62.0979 PRESSAVG: 1603000 -19.0098 -61.5755 50.6096 -61.5755 12.0231 -21.2813 50.6097 -21.2813 -9.67313 GPRESSAVG: 1603000 -18.4948 -61.3277 50.1509 -61.6411 11.5785 -21.8274 49.9547 -22.0485 -9.44943 TIMING: 1603000 CPU: 5068.06, 0.00316528/step Wall: 5068.06, 0.00316528/step, 2.98679 hours remaining, 236.296875 MB of memory in use. ENERGY: 1603000 4023.6371 20663.7781 14480.9982 254.9896 -203067.7001 2584.0706 0.0000 0.0000 51901.1913 -109159.0353 298.2769 -161060.2265 -108801.4404 299.4825 -8.3063 19.9960 761484.0325 -5.5533 -5.4553 PRESSURE: 1603200 212.06 -77.9772 28.2752 -77.9769 8.3898 -33.2593 28.2755 -33.2596 427.042 GPRESSURE: 1603200 192.842 -34.9747 -24.8134 -11.3115 152.429 -78.6024 39.7751 140.937 384.648 PRESSAVG: 1603200 -39.6467 -53.225 26.8258 -53.2249 22.7443 -5.81943 26.8258 -5.81947 -26.6014 GPRESSAVG: 1603200 -39.6587 -51.2726 27.2489 -53.7844 22.6391 -6.85627 27.2843 -4.46433 -26.9026 TIMING: 1603200 CPU: 5068.7, 0.00317995/step Wall: 5068.7, 0.00317995/step, 3.00046 hours remaining, 236.296875 MB of memory in use. ENERGY: 1603200 3951.1550 20491.4941 14551.0077 247.9625 -203539.6496 2929.8341 0.0000 0.0000 52304.5588 -109063.6373 300.5950 -161368.1962 -108692.0159 299.9173 215.8306 243.3063 760686.5419 -14.5013 -14.6407 PRESSURE: 1603400 -204.707 115.303 156.467 115.303 -98.3401 -217.74 156.466 -217.74 -13.1777 GPRESSURE: 1603400 -120.014 40.0313 52.8382 167.416 -86.7191 -180.234 174.106 -92.5934 -24.8261 PRESSAVG: 1603400 -18.2548 -35.1766 -23.5326 -35.1766 38.128 19.2032 -23.5325 19.2032 22.6408 GPRESSAVG: 1603400 -17.2801 -36.0779 -25.1497 -36.6468 37.6438 19.6618 -20.6105 20.2773 21.8108 TIMING: 1603400 CPU: 5069.34, 0.00320643/step Wall: 5069.34, 0.00320643/step, 3.02526 hours remaining, 236.296875 MB of memory in use. ENERGY: 1603400 4046.6491 20590.0706 14522.2838 257.5269 -203194.6277 2563.2582 0.0000 0.0000 52309.4444 -108905.3946 300.6231 -161214.8390 -108539.1740 300.3006 -105.4081 -77.1863 762900.7035 14.1714 14.0582 PRESSURE: 1603600 -46.4258 14.8919 108.824 14.8921 190.621 -87.6784 108.824 -87.6769 -51.6794 GPRESSURE: 1603600 -51.7744 -56.298 0.138181 113.14 272.531 -85.3658 139.635 -107.949 -54.2063 PRESSAVG: 1603600 -11.4412 -2.85244 23.4154 -2.85248 61.8404 8.82431 23.4154 8.82432 1.29019 GPRESSAVG: 1603600 -12.9965 -3.15244 23.6439 -0.30151 63.3087 9.13924 22.5063 6.11641 1.68802 TIMING: 1603600 CPU: 5069.98, 0.00321278/step Wall: 5069.98, 0.00321278/step, 3.03108 hours remaining, 236.296875 MB of memory in use. ENERGY: 1603600 3937.3671 20470.5948 14600.1458 253.8702 -203441.5078 2815.6607 0.0000 0.0000 52222.8577 -109141.0115 300.1255 -161363.8692 -108777.6142 299.6022 30.8388 55.5168 761901.1811 17.2298 17.3334 PRESSURE: 1603800 71.106 -143.602 162.542 -143.602 -18.6271 156.209 162.543 156.209 3.07374 GPRESSURE: 1603800 72.5697 -174.403 -13.5757 -182.086 53.0307 110.261 172.878 55.2442 11.1125 PRESSAVG: 1603800 -54.4538 -83.9878 -11.4719 -83.9878 39.5341 -10.649 -11.4718 -10.6492 22.5392 GPRESSAVG: 1603800 -55.6504 -84.8947 -10.0529 -86.4298 39.452 -12.4173 -11.654 -8.40734 24.1726 TIMING: 1603800 CPU: 5070.62, 0.0031776/step Wall: 5070.62, 0.0031776/step, 2.99772 hours remaining, 236.296875 MB of memory in use. ENERGY: 1603800 3948.4230 20579.6242 14523.4948 244.3527 -202898.1808 2574.4104 0.0000 0.0000 51812.4525 -109215.4231 297.7669 -161027.8756 -108844.6673 299.3685 18.5175 45.5710 763179.5337 2.5398 2.6581 PRESSURE: 1604000 30.861 -221.259 -246.629 -221.258 -24.2913 -27.7933 -246.629 -27.7937 17.4379 GPRESSURE: 1604000 4.10165 -183.521 -311.258 -89.9218 58.2691 -86.4547 -107.732 -91.6019 35.152 PRESSAVG: 1604000 -49.2111 -63.2847 47.5663 -63.2847 55.6039 -6.99859 47.5663 -6.99859 -14.8214 GPRESSAVG: 1604000 -47.8352 -63.8383 48.6352 -60.8262 55.3788 -5.62533 47.0957 -7.82264 -15.7195 TIMING: 1604000 CPU: 5071.25, 0.00315875/step Wall: 5071.25, 0.00315875/step, 2.97975 hours remaining, 236.296875 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: 1604000 3980.1741 20458.7825 14518.9216 239.0527 -202999.0698 2685.3424 0.0000 0.0000 52014.3321 -109102.4644 298.9271 -161116.7965 -108749.9309 298.8156 8.0025 32.5076 763720.0983 -2.8096 -2.7253 PRESSURE: 1604200 167.885 25.1342 56.4383 25.1335 -147.958 170.304 56.4383 170.304 -165.304 GPRESSURE: 1604200 191.463 28.3089 60.8929 9.52029 -132.926 135.869 -81.6725 83.6805 -115.992 PRESSAVG: 1604200 -9.5857 -43.8344 -0.681734 -43.8344 23.2685 -41.7362 -0.681747 -41.7362 15.0278 GPRESSAVG: 1604200 -7.72137 -42.6308 -3.14412 -47.0319 21.1131 -41.9882 -0.524946 -42.8638 16.1461 TIMING: 1604200 CPU: 5071.88, 0.00315417/step Wall: 5071.88, 0.00315417/step, 2.97526 hours remaining, 236.296875 MB of memory in use. ENERGY: 1604200 3920.8218 20546.7241 14519.5852 240.5438 -203353.2578 2950.8262 0.0000 0.0000 52284.9304 -108889.8264 300.4822 -161174.7567 -108525.9501 299.9049 -48.4589 -19.1515 763983.6008 9.5702 9.8460 LDB: ============= START OF LOAD BALANCING ============== 5084.41 LDB: ============== END OF LOAD BALANCING =============== 5084.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5084.42 LDB: ============= START OF LOAD BALANCING ============== 5084.73 LDB: Largest compute 7042 load 0.030885 is 15.8% of average load 0.195480 LDB: Average compute 0.004390 is 2.2% of average load 0.195480 LDB: TIME 5084.73 LOAD: AVG 0.19548 MAX 0.217141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.418 MB LDB: TIME 5084.73 LOAD: AVG 0.19548 MAX 0.217141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: TIME 5084.73 LOAD: AVG 0.19548 MAX 0.217141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: ============== END OF LOAD BALANCING =============== 5084.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5084.74 PRESSURE: 1604400 25.2554 243.318 -29.4059 243.317 -21.5105 -109.329 -29.4059 -109.33 -113.357 GPRESSURE: 1604400 120.128 221.756 -101.814 152.559 -38.5126 -99.4064 52.3881 -134.408 -117.883 PRESSAVG: 1604400 -42.1727 -7.97723 -11.0847 -7.97723 34.7665 45.0239 -11.0847 45.024 6.01054 GPRESSAVG: 1604400 -42.5974 -8.98916 -10.1634 -8.26789 36.2339 44.0739 -9.99452 47.4817 4.25987 TIMING: 1604400 CPU: 5072.53, 0.00322035/step Wall: 5072.53, 0.00322035/step, 3.03751 hours remaining, 235.390625 MB of memory in use. ENERGY: 1604400 4038.3864 20453.3382 14477.0009 256.2358 -203417.3013 2903.1182 0.0000 0.0000 52157.5256 -109131.6963 299.7500 -161289.2218 -108773.9598 299.3795 -36.5375 -12.0892 762189.0905 -0.4652 -0.7012 PRESSURE: 1604600 -61.9267 -194.195 45.5681 -194.195 -59.7199 -60.596 45.5679 -60.5946 63.2804 GPRESSURE: 1604600 94.8407 -254.716 47.3163 -259.837 -145.356 -100.093 71.9656 -155.468 72.4995 PRESSAVG: 1604600 -76.6272 -26.0656 -30.729 -26.0656 68.8471 -14.6633 -30.729 -14.6633 0.885213 GPRESSAVG: 1604600 -77.5229 -23.4607 -29.7245 -26.3984 70.2005 -16.5386 -30.5654 -15.174 0.378244 TIMING: 1604600 CPU: 5073.16, 0.0031565/step Wall: 5073.16, 0.00315649/step, 2.9771 hours remaining, 235.390625 MB of memory in use. ENERGY: 1604600 4010.1990 20417.0936 14452.1314 241.7079 -203374.0228 2800.6102 0.0000 0.0000 52146.9398 -109305.3409 299.6892 -161452.2806 -108934.1512 299.5620 -19.4554 7.3281 763263.2517 -2.2983 -2.3147 PRESSURE: 1604800 -318.928 -44.085 70.8661 -44.0853 -194.724 -127.894 70.8667 -127.893 -210.488 GPRESSURE: 1604800 -291.112 -36.3555 72.5115 -8.87106 -208.315 -198.821 21.1701 -23.1702 -155.227 PRESSAVG: 1604800 27.0363 -45.6125 5.44833 -45.6125 8.37633 -13.7418 5.44832 -13.7418 -17.9225 GPRESSAVG: 1604800 27.3822 -47.6616 3.7876 -44.2833 6.34945 -10.9344 6.10749 -14.0079 -17.1248 TIMING: 1604800 CPU: 5073.79, 0.00316804/step Wall: 5073.79, 0.00316804/step, 2.98781 hours remaining, 235.390625 MB of memory in use. ENERGY: 1604800 3981.0233 20457.2852 14477.6493 254.2896 -202819.0774 2536.7999 0.0000 0.0000 51848.9371 -109263.0931 297.9766 -161112.0301 -108919.1285 298.9324 -241.3800 -218.2180 764322.9201 5.8301 5.5356 PRESSURE: 1605000 -122.07 -222.318 -3.69925 -222.318 -271.39 12.259 -3.69958 12.2581 33.12 GPRESSURE: 1605000 -154.898 -229.4 -97.2054 -150.822 -215.135 32.9695 23.2923 -57.5249 116.467 PRESSAVG: 1605000 -44.2128 -27.4924 5.06665 -27.4925 35.3219 -2.25591 5.06661 -2.25604 -9.62477 GPRESSAVG: 1605000 -44.4201 -27.1232 5.53751 -26.3132 35.8485 -1.80421 4.32936 -3.3898 -10.0107 TIMING: 1605000 CPU: 5074.42, 0.00316504/step Wall: 5074.42, 0.00316504/step, 2.98481 hours remaining, 235.390625 MB of memory in use. ENERGY: 1605000 3912.5465 20366.7045 14559.7909 239.1550 -202846.8629 2375.2981 0.0000 0.0000 52231.1856 -109162.1824 300.1733 -161393.3680 -108796.1665 299.2711 -120.1133 -84.5221 764763.1745 -6.1719 -6.1941 PRESSURE: 1605200 -187.854 -187.308 -127.776 -187.307 -79.1337 -120.896 -127.778 -120.896 -554.068 GPRESSURE: 1605200 -271.522 -133.811 -114.528 -237.714 27.0089 -39.7191 -26.2263 -139.512 -500.679 PRESSAVG: 1605200 8.68974 -40.2698 -17.699 -40.2698 24.5164 -18.2282 -17.699 -18.2281 3.87123 GPRESSAVG: 1605200 8.23122 -40.0978 -16.1986 -40.9204 24.3855 -18.6242 -18.2591 -17.7071 4.81568 TIMING: 1605200 CPU: 5075.06, 0.00316012/step Wall: 5075.06, 0.00316012/step, 2.97999 hours remaining, 235.390625 MB of memory in use. ENERGY: 1605200 4012.2817 20522.2277 14491.7080 235.9346 -202512.2064 2439.7166 0.0000 0.0000 51871.4984 -108938.8393 298.1062 -160810.3377 -108575.2558 299.3068 -273.6852 -248.3974 765585.5150 12.3591 12.4775 PRESSURE: 1605400 -16.5658 2.70162 -74.1302 2.70074 -29.4891 30.5941 -74.1299 30.594 -200.335 GPRESSURE: 1605400 92.755 19.0954 -57.6013 -75.2591 9.11499 71.0148 -137.973 -11.6791 -258.256 PRESSAVG: 1605400 -15.0477 -45.1195 -2.34141 -45.1196 -13.4433 -55.4359 -2.3414 -55.4359 -19.9581 GPRESSAVG: 1605400 -14.1987 -44.9104 -0.742463 -47.918 -12.9127 -55.2955 -3.34735 -54.6109 -20.9545 TIMING: 1605400 CPU: 5075.69, 0.00318839/step Wall: 5075.69, 0.00318839/step, 3.00647 hours remaining, 235.390625 MB of memory in use. ENERGY: 1605400 3928.4383 20418.0578 14522.2455 236.9218 -202401.6537 2283.8624 0.0000 0.0000 52138.2634 -108873.8645 299.6393 -161012.1279 -108510.8566 299.4684 -82.1301 -52.1288 762519.2067 -16.1497 -16.0219 PRESSURE: 1605600 126.555 -180.102 -28.4698 -180.102 141.892 -17.9052 -28.4701 -17.9051 96.5587 GPRESSURE: 1605600 165.827 -138.903 6.56549 -128.635 204.868 -31.5985 -110.74 61.8787 81.2464 PRESSAVG: 1605600 70.1 -45.9048 -30.9713 -45.9049 -73.2564 16.6113 -30.9713 16.6113 -4.23145 GPRESSAVG: 1605600 70.6102 -44.5214 -32.171 -44.9201 -74.9293 15.7089 -31.5462 16.7305 -3.45311 TIMING: 1605600 CPU: 5076.33, 0.00318061/step Wall: 5076.33, 0.00318061/step, 2.99896 hours remaining, 235.390625 MB of memory in use. ENERGY: 1605600 3989.1601 20411.4013 14517.4938 252.4909 -202768.6605 2445.3231 0.0000 0.0000 52178.9401 -108973.8512 299.8731 -161152.7913 -108600.7242 299.8188 121.6685 150.6471 763698.2663 -2.4626 -2.5908 PRESSURE: 1605800 -187.2 41.5282 139.832 41.5281 330.415 -57.7544 139.831 -57.7554 93.2039 GPRESSURE: 1605800 -95.3414 42.6581 142.678 -12.8366 311.101 -72.033 97.9047 -48.3754 107.441 PRESSAVG: 1605800 20.7418 -70.5215 27.3993 -70.5214 -15.4724 -5.78797 27.3993 -5.78792 19.5032 GPRESSAVG: 1605800 20.273 -70.0679 25.8879 -69.8881 -12.9221 -4.62711 29.6883 -6.41362 17.1923 TIMING: 1605800 CPU: 5076.96, 0.00317218/step Wall: 5076.96, 0.00317218/step, 2.99084 hours remaining, 235.390625 MB of memory in use. ENERGY: 1605800 3998.4677 20377.4878 14489.5237 241.5329 -203135.5345 2883.1338 0.0000 0.0000 52128.9785 -109016.4101 299.5860 -161145.3886 -108659.1981 299.7935 78.8063 107.7334 762544.3099 8.2575 8.1811 PRESSURE: 1606000 -23.3995 -67.6119 113.399 -67.6125 111.888 -134.443 113.399 -134.444 -230.528 GPRESSURE: 1606000 3.30797 -50.1246 125.757 -75.328 150.725 -165.502 62.6785 -234.601 -205.365 PRESSAVG: 1606000 52.0843 -57.1198 33.7233 -57.1199 -38.3356 -35.2024 33.7233 -35.2025 -41.5894 GPRESSAVG: 1606000 53.819 -60.6776 33.6935 -55.8308 -41.1727 -37.632 34.7946 -34.9451 -40.171 TIMING: 1606000 CPU: 5077.6, 0.00317768/step Wall: 5077.6, 0.00317768/step, 2.99585 hours remaining, 235.390625 MB of memory 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 3918.7405 20537.5370 14533.8017 237.3905 -203001.7160 2617.8370 0.0000 0.0000 52012.7481 -109143.6612 298.9180 -161156.4093 -108775.7359 299.2438 -47.3466 -17.1107 763488.4304 -9.2802 -9.1749 PRESSURE: 1606200 7.02007 165.797 -211.797 165.797 -136.688 29.4072 -211.798 29.4064 301.896 GPRESSURE: 1606200 9.64631 185.935 -131.376 118.814 -41.8188 95.5525 -217.363 19.0064 288.651 PRESSAVG: 1606200 -5.30666 1.34951 -27.0015 1.34946 9.16287 21.1496 -27.0014 21.1496 10.4479 GPRESSAVG: 1606200 -6.82976 4.25202 -26.2179 -0.093791 12.5435 23.0616 -28.5983 19.9909 9.26663 TIMING: 1606200 CPU: 5078.24, 0.00319236/step Wall: 5078.24, 0.00319236/step, 3.00951 hours remaining, 235.390625 MB of memory in use. ENERGY: 1606200 3966.9892 20408.9586 14578.8692 248.4240 -203180.7258 2784.0687 0.0000 0.0000 52114.4205 -109078.9956 299.5023 -161193.4161 -108721.0035 299.2745 57.4094 85.4929 762952.7560 4.7680 4.9935 PRESSURE: 1606400 -179.987 -77.5762 177.598 -77.5767 -164.279 86.4145 177.599 86.4144 -337.156 GPRESSURE: 1606400 -220.254 -136.604 179.27 15.6844 -151.502 55.8682 5.45276 79.3982 -219.379 PRESSAVG: 1606400 -36.234 -11.7325 -46.7797 -11.7325 34.1905 -19.5208 -46.7798 -19.5208 -23.1699 GPRESSAVG: 1606400 -36.8678 -13.7415 -47.7955 -11.9181 33.7102 -19.6163 -47.214 -17.0324 -21.6728 TIMING: 1606400 CPU: 5078.87, 0.00316293/step Wall: 5078.87, 0.00316293/step, 2.98159 hours remaining, 235.390625 MB of memory in use. ENERGY: 1606400 4002.1841 20436.2406 14474.8300 262.6120 -203248.8908 2663.3288 0.0000 0.0000 52282.4704 -109127.2249 300.4681 -161409.6953 -108765.7816 299.9568 -227.1405 -197.0448 762411.2717 -8.4045 -8.2768 PRESSURE: 1606600 554.322 25.1543 -140.471 25.1541 205.826 56.6177 -140.471 56.6183 346.586 GPRESSURE: 1606600 605.503 -7.16951 -92.7494 -9.64629 211.578 118.872 -65.569 71.2975 351.937 PRESSAVG: 1606600 8.40212 -30.3858 -2.66004 -30.3859 43.5265 -39.4743 -2.66003 -39.4743 -26.6647 GPRESSAVG: 1606600 9.03663 -29.5623 -2.0859 -29.7376 43.2951 -39.4704 -2.36317 -41.6884 -27.0117 TIMING: 1606600 CPU: 5079.51, 0.00319122/step Wall: 5079.51, 0.00319122/step, 3.00808 hours remaining, 235.390625 MB of memory in use. ENERGY: 1606600 3910.8491 20441.3707 14555.0319 241.1227 -203022.6487 2791.3581 0.0000 0.0000 51871.4768 -109211.4394 298.1061 -161082.9162 -108846.2788 298.8809 368.9114 389.6724 762690.7836 8.4213 8.4400 PRESSURE: 1606800 317.412 128.869 -115.535 128.869 395.898 106.189 -115.535 106.191 352.678 GPRESSURE: 1606800 334.088 42.6996 -112.994 86.5598 445.88 38.2752 -79.7738 -48.2338 390.185 PRESSAVG: 1606800 38.3478 -75.7394 -24.4992 -75.7393 -35.5688 -12.5194 -24.4993 -12.5194 6.727 GPRESSAVG: 1606800 38.1678 -75.5402 -24.344 -77.6267 -35.6486 -12.5574 -25.9697 -13.3037 7.18647 TIMING: 1606800 CPU: 5080.14, 0.003175/step Wall: 5080.14, 0.003175/step, 2.99261 hours remaining, 235.390625 MB of memory in use. ENERGY: 1606800 3921.5530 20439.6472 14532.1474 253.3719 -203821.0249 3251.5505 0.0000 0.0000 51933.7365 -109489.0184 298.4639 -161422.7549 -109136.1383 298.5270 355.3295 390.0509 763696.8914 3.1687 3.2352 PRESSURE: 1607000 -158.83 -58.8547 -20.0502 -58.8536 135.147 -38.5939 -20.0502 -38.5942 79.5162 GPRESSURE: 1607000 -47.164 10.3536 29.8161 -72.5721 110.529 -70.3183 -77.0381 52.4075 69.3866 PRESSAVG: 1607000 -52.5458 -34.9824 18.8591 -34.9824 67.2073 22.4073 18.8591 22.4073 6.38882 GPRESSAVG: 1607000 -51.5841 -36.3891 17.7111 -34.5305 66.552 24.2063 19.6584 22.3152 6.16263 TIMING: 1607000 CPU: 5080.78, 0.00319491/step Wall: 5080.78, 0.00319491/step, 3.0112 hours remaining, 235.390625 MB of memory in use. ENERGY: 1607000 3968.4981 20225.8386 14529.8796 250.0419 -203241.8348 2874.6687 0.0000 0.0000 51890.4048 -109502.5031 298.2149 -161392.9079 -109139.6660 298.7710 18.6110 44.2504 764437.4339 7.0167 7.0435 PRESSURE: 1607200 197.855 -108.733 20.3849 -108.732 94.9384 29.3162 20.3844 29.3159 3.73329 GPRESSURE: 1607200 261.035 -51.8838 49.8899 -150.955 121.806 69.1385 -45.8601 -14.2415 -17.0638 PRESSAVG: 1607200 13.9978 -54.5343 -35.9162 -54.5343 -19.7889 -44.5999 -35.9163 -44.6 26.1438 GPRESSAVG: 1607200 12.3902 -54.9229 -36.1117 -54.3085 -18.933 -47.3671 -35.3797 -43.8877 26.5553 TIMING: 1607200 CPU: 5081.42, 0.00317952/step Wall: 5081.42, 0.00317952/step, 2.99652 hours remaining, 235.390625 MB of memory in use. ENERGY: 1607200 3959.4205 20417.3755 14460.8406 219.5836 -203271.3974 2631.0328 0.0000 0.0000 52032.1896 -109550.9548 299.0297 -161583.1444 -109193.5457 298.7577 98.8423 121.9259 764093.2073 6.7842 6.6709 PRESSURE: 1607400 420.425 -76.4105 185.47 -76.4102 159.565 -131.427 185.47 -131.427 -110.937 GPRESSURE: 1607400 436.226 -106.318 120.688 -179.085 181.192 -130.084 130.459 -122.853 -88.3175 PRESSAVG: 1607400 86.4832 -7.30887 -15.4902 -7.30894 -43.4903 -21.8702 -15.4901 -21.8702 -7.44809 GPRESSAVG: 1607400 86.1791 -6.35947 -15.3746 -6.20144 -43.2446 -22.2908 -16.0616 -19.8117 -7.88716 TIMING: 1607400 CPU: 5082.05, 0.00316667/step Wall: 5082.05, 0.00316667/step, 2.98424 hours remaining, 235.390625 MB of memory in use. ENERGY: 1607400 3930.6591 20327.2366 14494.5447 248.6206 -203628.9282 3021.3238 0.0000 0.0000 51913.3668 -109693.1766 298.3468 -161606.5434 -109326.0705 298.3176 156.3508 176.3667 763346.9671 11.8483 11.6825 PRESSURE: 1607600 305.355 -281.31 -33.417 -281.31 -118.57 152.087 -33.4174 152.089 6.89139 GPRESSURE: 1607600 305.693 -245.231 8.48914 -135.279 -113.587 157.384 -1.11983 73.7127 98.3001 PRESSAVG: 1607600 7.89743 -69.4563 -9.43803 -69.4563 -34.6876 -6.29632 -9.43802 -6.29637 22.0214 GPRESSAVG: 1607600 7.27366 -70.0055 -9.55939 -69.8464 -35.8958 -3.5044 -8.18483 -6.91081 23.3054 TIMING: 1607600 CPU: 5082.68, 0.00316791/step Wall: 5082.68, 0.00316791/step, 2.98523 hours remaining, 235.390625 MB of memory in use. ENERGY: 1607600 3985.1217 20354.6472 14493.2667 258.0313 -203703.7045 3122.4316 0.0000 0.0000 51922.6438 -109567.5623 298.4001 -161490.2061 -109213.3165 298.7050 64.5589 96.8018 762645.5264 -1.5896 -1.7722 PRESSURE: 1607800 -363.618 -38.4271 61.5065 -38.4272 80.272 -17.4973 61.5062 -17.4977 -355.265 GPRESSURE: 1607800 -287.571 -7.12102 21.74 23.4488 102.793 7.9111 55.8234 65.0805 -354.325 PRESSAVG: 1607800 5.8651 -59.631 6.9619 -59.631 -27.0426 -16.3355 6.9619 -16.3356 6.17908 GPRESSAVG: 1607800 6.98593 -57.5455 8.54068 -60.8035 -25.9002 -16.5868 6.27435 -18.0505 4.26685 TIMING: 1607800 CPU: 5083.32, 0.00318206/step Wall: 5083.32, 0.00318206/step, 2.99838 hours remaining, 235.390625 MB of memory in use. ENERGY: 1607800 3943.8841 20437.1013 14505.0928 261.7876 -203081.1791 2449.0873 0.0000 0.0000 52152.1273 -109332.0986 299.7190 -161484.2260 -108973.8349 298.7852 -212.8705 -179.7010 763006.1509 -4.9995 -4.8825 PRESSURE: 1608000 -229.335 17.5982 -61.7303 17.5991 -200.204 30.0734 -61.7314 30.0737 -110.046 GPRESSURE: 1608000 -188.436 -78.124 -57.6355 36.0082 -193.022 149.025 -35.6642 149.781 -71.2682 PRESSAVG: 1608000 32.5948 6.25504 12.7039 6.25506 -41.5584 21.9572 12.704 21.9571 -13.9253 GPRESSAVG: 1608000 31.7343 3.77028 11.9996 6.97284 -41.659 21.66 12.6601 25.7018 -12.7435 TIMING: 1608000 CPU: 5083.96, 0.00320628/step Wall: 5083.96, 0.00320628/step, 3.02103 hours remaining, 235.390625 MB of memory 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 3957.0040 20552.0986 14436.9102 248.9381 -203521.7548 2650.5401 0.0000 0.0000 52154.2194 -109522.0443 299.7310 -161676.2637 -109162.2505 298.9838 -179.8615 -150.9088 761441.8763 -7.6296 -7.5561 PRESSURE: 1608200 260.543 8.80274 35.4007 8.80321 69.2309 67.6215 35.4003 67.6214 154.208 GPRESSURE: 1608200 327.742 -31.8595 -73.2238 -48.6439 103.037 36.8547 76.3232 -78.1153 135.417 PRESSAVG: 1608200 -20.9269 -42.9301 -35.0017 -42.9301 -35.7953 -18.2417 -35.0018 -18.2418 -2.09329 GPRESSAVG: 1608200 -19.8104 -41.822 -35.3296 -42.7958 -37.0634 -20.1032 -33.7377 -19.3613 -2.05997 TIMING: 1608200 CPU: 5084.59, 0.00315578/step Wall: 5084.59, 0.00315578/step, 2.97327 hours remaining, 235.390625 MB of memory in use. ENERGY: 1608200 3935.5467 20532.2626 14459.1129 252.6137 -203731.3798 3053.0984 0.0000 0.0000 51763.3892 -109735.3563 297.4849 -161498.7455 -109366.9114 298.2436 161.3275 188.7319 763537.8504 -19.6052 -19.6446 LDB: ============= START OF LOAD BALANCING ============== 5097.13 LDB: ============== END OF LOAD BALANCING =============== 5097.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5097.13 LDB: ============= START OF LOAD BALANCING ============== 5097.44 LDB: Largest compute 7037 load 0.030989 is 15.9% of average load 0.195485 LDB: Average compute 0.004364 is 2.2% of average load 0.195485 LDB: TIME 5097.45 LOAD: AVG 0.195485 MAX 0.215154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 5097.45 LOAD: AVG 0.195485 MAX 0.215154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: TIME 5097.45 LOAD: AVG 0.195485 MAX 0.215154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.91 MB LDB: ============== END OF LOAD BALANCING =============== 5097.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5097.45 PRESSURE: 1608400 -163.125 -82.4957 -61.3524 -82.4964 -113.776 39.5035 -61.3531 39.5024 109.059 GPRESSURE: 1608400 -97.5641 -98.7927 44.1971 -104.166 -115.437 57.6028 -36.7361 29.9916 106.734 PRESSAVG: 1608400 56.253 -60.6781 -10.8391 -60.6781 -8.0728 17.1116 -10.8391 17.1116 -5.46736 GPRESSAVG: 1608400 55.6468 -62.0567 -10.7486 -60.5816 -7.86308 18.7284 -10.9806 17.1459 -4.63745 TIMING: 1608400 CPU: 5085.24, 0.00321374/step Wall: 5085.24, 0.00321374/step, 3.0277 hours remaining, 235.515625 MB of memory in use. ENERGY: 1608400 3881.6837 20398.7345 14494.0028 246.2148 -203413.9185 2717.1742 0.0000 0.0000 52029.0278 -109647.0807 299.0115 -161676.1085 -109283.3304 298.4801 -55.9473 -35.4224 763807.7025 14.2376 14.3821 PRESSURE: 1608600 -452.959 52.335 -170.593 52.3355 -307.505 203.889 -170.594 203.888 -29.476 GPRESSURE: 1608600 -427.722 5.88929 -140.602 -108.631 -252.382 177.313 -173.099 129.753 -31.6446 PRESSAVG: 1608600 11.3873 -41.8337 -6.49145 -41.8337 19.9825 14.5764 -6.49144 14.5765 37.8549 GPRESSAVG: 1608600 12.1038 -40.9791 -5.39741 -41.176 20.6872 13.4991 -7.1432 14.4269 35.9074 TIMING: 1608600 CPU: 5085.87, 0.00317407/step Wall: 5085.87, 0.00317407/step, 2.99015 hours remaining, 235.515625 MB of memory in use. ENERGY: 1608600 3981.7644 20461.4050 14510.8674 260.9120 -203420.2563 2566.7908 0.0000 0.0000 51943.5706 -109694.9460 298.5204 -161638.5166 -109325.8520 298.4694 -263.3134 -237.2496 762570.4061 23.0749 22.8995 PRESSURE: 1608800 -262.488 -63.4598 -44.2555 -63.4602 -254.378 22.9098 -44.2547 22.9089 -328.342 GPRESSURE: 1608800 -304.089 13.8268 -30.6032 -128.833 -168.232 77.4331 -102.365 67.0735 -297.684 PRESSAVG: 1608800 -42.8158 -9.69257 -47.567 -9.69255 -10.5123 42.6953 -47.5669 42.6953 -14.1121 GPRESSAVG: 1608800 -43.8111 -10.8744 -48.1715 -10.0847 -9.97503 43.2925 -47.1822 41.225 -13.2631 TIMING: 1608800 CPU: 5086.51, 0.00320904/step Wall: 5086.51, 0.00320904/step, 3.02291 hours remaining, 235.515625 MB of memory in use. ENERGY: 1608800 3956.0645 20553.0612 14554.5753 248.5654 -203321.5868 2535.2992 0.0000 0.0000 51877.9874 -109596.0339 298.1435 -161474.0213 -109236.2442 298.2121 -281.7361 -256.6682 764476.2734 -22.4801 -22.3498 PRESSURE: 1609000 -56.5232 6.28912 125.833 6.28941 -324.559 -253.189 125.834 -253.19 39.5452 GPRESSURE: 1609000 -60.9686 150.994 27.4735 -45.8076 -292.484 -237.551 68.9277 -299.784 83.5041 PRESSAVG: 1609000 4.45099 -12.9725 -18.7963 -12.9725 22.4929 18.5643 -18.7963 18.5643 1.18938 GPRESSAVG: 1609000 4.80499 -11.2198 -19.5896 -14.6813 22.0411 18.2423 -19.6591 18.485 0.659333 TIMING: 1609000 CPU: 5087.15, 0.00319758/step Wall: 5087.15, 0.00319758/step, 3.01194 hours remaining, 235.515625 MB of memory in use. ENERGY: 1609000 3964.1129 20662.7792 14511.2107 237.1449 -203601.2870 2593.3982 0.0000 0.0000 52151.4707 -109481.1703 299.7152 -161632.6410 -109123.3340 298.6022 -113.8456 -89.9827 763140.7475 9.3777 9.1685 PRESSURE: 1609200 -52.9976 -70.6196 -8.24312 -70.6197 244.968 -228.325 -8.24323 -228.325 -399.749 GPRESSURE: 1609200 -71.2327 -60.3094 -59.1433 -152.468 281.99 -235.675 187.025 -202.867 -334.812 PRESSAVG: 1609200 -7.19973 3.79126 -14.0177 3.79121 -9.61812 -46.8997 -14.0177 -46.8997 39.6379 GPRESSAVG: 1609200 -6.57464 5.70345 -12.5944 5.03807 -9.26259 -45.6929 -14.3018 -44.7829 38.7976 TIMING: 1609200 CPU: 5087.79, 0.00316203/step Wall: 5087.79, 0.00316203/step, 2.97828 hours remaining, 235.515625 MB of memory in use. ENERGY: 1609200 3966.1980 20568.6018 14486.7113 255.8606 -203405.9738 2794.6116 0.0000 0.0000 51977.1413 -109356.8492 298.7133 -161333.9905 -108993.6518 299.0490 -69.2596 -41.3517 762836.6398 7.6067 7.6535 PRESSURE: 1609400 144.877 -169.862 -20.2604 -169.863 -21.9005 -238.114 -20.2604 -238.115 -351.006 GPRESSURE: 1609400 147.281 -112.874 6.09858 -46.8534 -36.6693 -203.082 -31.5874 -225.977 -258.16 PRESSAVG: 1609400 -59.0831 -30.1384 10.6986 -30.1384 53.3014 -16.7198 10.6986 -16.7198 1.2665 GPRESSAVG: 1609400 -60.0963 -31.7873 10.2636 -30.5821 53.351 -16.4473 11.7364 -16.3105 2.19428 TIMING: 1609400 CPU: 5088.42, 0.00315518/step Wall: 5088.42, 0.00315518/step, 2.97165 hours remaining, 235.515625 MB of memory in use. ENERGY: 1609400 4045.1370 20445.2755 14551.1606 267.7774 -203599.7934 3059.2581 0.0000 0.0000 52036.7411 -109194.4437 299.0559 -161231.1848 -108842.3150 299.2929 -76.0098 -49.1829 764761.9380 -1.5051 -1.5170 PRESSURE: 1609600 -51.2332 324.944 -18.1071 324.944 35.3691 2.88972 -18.1071 2.88986 84.3436 GPRESSURE: 1609600 -22.2454 317.66 -86.8245 343.639 43.3275 -27.5417 -4.16346 -36.7842 120.297 PRESSAVG: 1609600 33.3714 -33.6746 39.441 -33.6747 -27.6291 -45.9607 39.441 -45.9606 -2.16214 GPRESSAVG: 1609600 33.5807 -33.9106 39.6357 -32.8294 -27.7052 -46.7751 38.4211 -47.5207 -2.43798 TIMING: 1609600 CPU: 5089.05, 0.00317425/step Wall: 5089.05, 0.00317425/step, 2.98944 hours remaining, 235.515625 MB of memory in use. ENERGY: 1609600 3959.4205 20500.0896 14517.8453 243.5286 -203099.2718 2490.7978 0.0000 0.0000 52019.2581 -109368.3319 298.9554 -161387.5899 -109008.4615 299.4139 22.8265 47.1264 763248.1310 1.1934 1.1458 PRESSURE: 1609800 90.4897 -113.347 -397.061 -113.349 -125.422 -77.1213 -397.061 -77.121 204.36 GPRESSURE: 1609800 78.3006 -310.502 -353.926 -90.9072 -117.908 -91.0542 -270.15 -88.2929 283.055 PRESSAVG: 1609800 62.9557 -12.0569 -19.0483 -12.0569 -49.2713 -96.9944 -19.0483 -96.9944 -22.521 GPRESSAVG: 1609800 62.475 -12.6227 -18.3927 -11.0697 -49.2644 -97.5395 -18.8261 -98.0567 -22.161 TIMING: 1609800 CPU: 5089.69, 0.00318304/step Wall: 5089.69, 0.00318304/step, 2.99754 hours remaining, 235.515625 MB of memory in use. ENERGY: 1609800 3967.6222 20645.4521 14519.3408 254.5004 -203759.3386 2640.9216 0.0000 0.0000 52375.5588 -109355.9426 301.0031 -161731.5015 -108992.0675 299.2407 56.4760 81.1491 761393.5903 -2.9455 -2.9834 PRESSURE: 1610000 -83.7607 -154.587 -245.589 -154.587 21.8442 95.666 -245.589 95.6656 -210.415 GPRESSURE: 1610000 30.5544 -193.692 -189.954 -197.814 -17.9651 137.12 -134.786 3.92475 -206 PRESSAVG: 1610000 58.4488 -17.504 9.93959 -17.504 -69.6538 36.4508 9.93961 36.4508 -7.68517 GPRESSAVG: 1610000 59.3956 -15.6067 10.084 -20.8702 -69.9598 35.4788 11.8432 37.4763 -8.82407 TIMING: 1610000 CPU: 5090.32, 0.00314174/step Wall: 5090.32, 0.00314174/step, 2.95847 hours remaining, 235.515625 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: 1610000 4022.0955 20572.3638 14506.7835 260.8730 -203609.0936 2922.2853 0.0000 0.0000 51978.1109 -109346.5816 298.7189 -161324.6925 -108986.4807 299.5115 -90.7773 -64.4702 761635.2049 -6.2967 -6.4628 PRESSURE: 1610200 -36.6165 373.412 -155.29 373.412 -162.274 -250.738 -155.29 -250.739 56.8662 GPRESSURE: 1610200 -84.7448 255.989 -95.3712 346.237 -67.9485 -237.853 -200.053 -169.309 93.6437 PRESSAVG: 1610200 -20.4219 2.01593 -47.1793 2.01597 37.0104 -56.5941 -47.1793 -56.5942 14.71 GPRESSAVG: 1610200 -20.2559 2.31549 -47.6551 2.97008 37.1256 -55.3202 -48.942 -56.6913 14.6132 TIMING: 1610200 CPU: 5090.94, 0.0031322/step Wall: 5090.94, 0.0031322/step, 2.94931 hours remaining, 235.515625 MB of memory in use. ENERGY: 1610200 3892.6730 20513.7595 14600.7408 242.4982 -203224.5941 2566.7066 0.0000 0.0000 51940.9799 -109467.2361 298.5055 -161408.2160 -109104.1705 299.1541 -47.3414 -19.6832 762678.5468 10.4328 10.4943 PRESSURE: 1610400 136.165 -103.975 45.2003 -103.975 -248.646 49.7627 45.1999 49.7627 -158.57 GPRESSURE: 1610400 149.375 -31.2032 54.1397 -112.958 -131.001 90.0692 59.1176 12.8279 -182.236 PRESSAVG: 1610400 30.3003 -4.12603 14.8854 -4.12603 -53.2322 -12.8591 14.8854 -12.859 3.28404 GPRESSAVG: 1610400 29.1266 -6.92355 13.2761 -4.61292 -53.149 -13.1329 15.8837 -13.1895 4.20883 TIMING: 1610400 CPU: 5091.57, 0.00314769/step Wall: 5091.57, 0.00314769/step, 2.96373 hours remaining, 235.515625 MB of memory in use. ENERGY: 1610400 3875.7458 20589.4387 14502.5667 235.1275 -203653.5262 2916.1138 0.0000 0.0000 51956.3856 -109578.1481 298.5941 -161534.5337 -109209.9944 298.4972 -90.3500 -54.6207 762092.8717 -6.5493 -6.6045 PRESSURE: 1610600 210.948 -152.805 -102.819 -152.805 64.955 141.85 -102.819 141.85 133.824 GPRESSURE: 1610600 297.454 -78.996 -130.207 -116.433 26.2308 91.0714 -68.8821 149.374 166.465 PRESSAVG: 1610600 65.9465 1.44804 -39.0416 1.44801 -59.021 -1.73734 -39.0415 -1.73737 3.5866 GPRESSAVG: 1610600 66.9369 1.06565 -39.3485 2.77054 -59.2424 -3.72233 -37.6971 -1.10428 2.90682 TIMING: 1610600 CPU: 5092.2, 0.00314415/step Wall: 5092.2, 0.00314415/step, 2.96022 hours remaining, 235.515625 MB of memory in use. ENERGY: 1610600 3955.9485 20583.9229 14560.5920 251.6977 -203503.0919 2799.2610 0.0000 0.0000 51967.0144 -109384.6554 298.6551 -161351.6698 -109018.4768 298.4109 136.5756 163.3833 762423.9371 3.5040 3.5338 PRESSURE: 1610800 30.3931 79.257 214.184 79.2579 379.605 -45.1797 214.185 -45.1807 221.007 GPRESSURE: 1610800 105.654 -2.59157 157.705 116.585 314.938 57.1135 263.377 -88.8745 299.494 PRESSAVG: 1610800 0.308832 52.5151 -36.3585 52.515 -11.1207 -30.1967 -36.3585 -30.1968 -4.41366 GPRESSAVG: 1610800 -0.179638 54.161 -36.657 51.18 -10.7704 -28.5351 -38.6203 -30.9076 -4.58543 TIMING: 1610800 CPU: 5092.83, 0.00316938/step Wall: 5092.83, 0.00316938/step, 2.98379 hours remaining, 235.515625 MB of memory in use. ENERGY: 1610800 3947.7029 20483.8660 14537.5673 267.2005 -203641.3378 2896.6791 0.0000 0.0000 52038.5567 -109469.7653 299.0663 -161508.3220 -109104.3496 298.8242 210.3350 240.0287 763991.9645 -5.0752 -5.1785 PRESSURE: 1611000 -158.421 145.397 116.967 145.398 -426.78 -62.7478 116.967 -62.7483 -261.453 GPRESSURE: 1611000 -179.609 141.048 110.737 62.8085 -396.303 -52.0629 52.7408 -165.287 -186.371 PRESSAVG: 1611000 13.2145 38.6202 14.7972 38.6203 -13.7375 -44.4785 14.7973 -44.4785 -1.20729 GPRESSAVG: 1611000 12.8024 39.4712 15.5511 38.0795 -12.6305 -43.4576 14.9883 -43.1291 -2.30416 TIMING: 1611000 CPU: 5093.47, 0.00315691/step Wall: 5093.47, 0.00315691/step, 2.97188 hours remaining, 235.515625 MB of memory in use. ENERGY: 1611000 4085.2503 20482.3137 14513.2508 278.4696 -203310.7203 2346.2125 0.0000 0.0000 51936.4773 -109668.7461 298.4796 -161605.2235 -109309.5023 298.8827 -282.2178 -254.0946 763278.4212 -0.5767 -0.7108 PRESSURE: 1611200 34.9412 113.076 127.451 113.076 226.745 90.403 127.451 90.4024 -3.39209 GPRESSURE: 1611200 57.5859 68.0733 176.327 78.5305 230.345 22.4536 -12.7858 66.5999 57.2141 PRESSAVG: 1611200 12.9804 -5.15386 -37.7249 -5.15385 -61.249 -40.7506 -37.7249 -40.7507 -7.95236 GPRESSAVG: 1611200 13.3335 -5.2328 -35.9581 -4.63245 -61.9939 -44.3234 -36.6905 -40.6955 -6.69099 TIMING: 1611200 CPU: 5094.1, 0.00318487/step Wall: 5094.1, 0.00318487/step, 2.99803 hours remaining, 235.515625 MB of memory in use. ENERGY: 1611200 3982.3881 20355.9756 14501.6903 240.8654 -203368.7824 2786.1378 0.0000 0.0000 51971.5683 -109530.1569 298.6813 -161501.7252 -109165.5421 298.3591 86.0980 115.0482 763958.8054 -18.7403 -18.4505 PRESSURE: 1611400 153.945 9.81966 -93.4099 9.81985 -220.281 -93.9022 -93.4096 -93.9022 45.2714 GPRESSURE: 1611400 110.458 -13.5612 -141.075 49.3179 -57.3179 -81.0383 -117.785 -191.849 -5.94071 PRESSAVG: 1611400 24.0492 24.9423 -27.5916 24.9423 -49.057 13.6671 -27.5916 13.6672 12.2477 GPRESSAVG: 1611400 23.8991 23.7162 -28.2939 25.3113 -49.7207 16.2349 -28.7747 12.4543 12.8189 TIMING: 1611400 CPU: 5094.74, 0.00318743/step Wall: 5094.74, 0.00318743/step, 3.00025 hours remaining, 235.515625 MB of memory in use. ENERGY: 1611400 3924.2720 20511.9242 14480.1797 243.5933 -203071.3680 2624.1038 0.0000 0.0000 51906.3046 -109380.9904 298.3062 -161287.2951 -109015.4874 298.7042 -7.0216 15.7332 763202.3723 -4.2534 -4.3342 PRESSURE: 1611600 -161.408 -102.57 69.945 -102.57 -105.135 -140.471 69.9441 -140.471 -119.102 GPRESSURE: 1611600 -171.903 -47.5101 -15.0986 -27.7564 -41.0851 -88.2435 26.9563 -87.729 -102.084 PRESSAVG: 1611600 50.8889 34.0508 -0.0655805 34.0507 -36.3083 13.9256 -0.0655903 13.9255 -14.7351 GPRESSAVG: 1611600 51.0643 34.6462 -0.073508 34.9093 -35.3582 13.5636 -1.04363 13.1285 -15.8509 TIMING: 1611600 CPU: 5095.38, 0.00321494/step Wall: 5095.38, 0.00321494/step, 3.02598 hours remaining, 235.515625 MB of memory in use. ENERGY: 1611600 4013.9099 20620.6377 14495.2840 257.2810 -203348.8123 2561.0500 0.0000 0.0000 52277.2324 -109123.4174 300.4380 -161400.6498 -108770.3567 299.0358 -128.5482 -105.0241 762772.7917 -0.0515 -0.0483 PRESSURE: 1611800 347.966 103.424 111.28 103.424 -83.7302 18.2819 111.28 18.281 -0.578172 GPRESSURE: 1611800 302.636 45.6698 136.119 118.589 -39.068 -135.904 118.958 -51.3394 62.0254 PRESSAVG: 1611800 -42.2382 -31.6049 64.9776 -31.6049 18.26 -5.45628 64.9776 -5.45629 -12.266 GPRESSAVG: 1611800 -40.7569 -29.5702 65.8029 -33.4757 17.3907 -4.88236 66.8354 -6.26306 -13.2415 TIMING: 1611800 CPU: 5096.02, 0.0031826/step Wall: 5096.02, 0.0031826/step, 2.99536 hours remaining, 235.773438 MB of memory in use. ENERGY: 1611800 3929.0590 20577.7933 14586.1555 257.9297 -203138.1840 2540.2968 0.0000 0.0000 52139.8146 -109107.1352 299.6482 -161246.9498 -108741.2094 299.5319 87.8860 108.5312 763034.8125 -12.0814 -12.2026 PRESSURE: 1612000 -30.5727 6.12584 14.1175 6.12555 78.011 -88.6084 14.1173 -88.6091 34.842 GPRESSURE: 1612000 -37.4155 94.1477 58.3385 -113.436 177.886 -80.7645 42.8906 -45.9543 29.8862 PRESSAVG: 1612000 27.7268 -36.564 25.1143 -36.564 31.0204 -41.3756 25.1143 -41.3756 -20.2131 GPRESSAVG: 1612000 25.4746 -40.1059 25.2503 -35.9216 31.9525 -42.009 23.3523 -39.5431 -18.2962 TIMING: 1612000 CPU: 5096.66, 0.00318142/step Wall: 5096.66, 0.00318142/step, 2.99407 hours remaining, 235.773438 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: 1612000 3891.8397 20660.8575 14499.8397 228.7864 -203363.1063 2614.2317 0.0000 0.0000 52373.8544 -109093.6971 300.9933 -161467.5514 -108733.9646 299.8641 27.4268 56.7854 761429.0844 12.8447 13.0436 PRESSURE: 1612200 -11.9085 33.2938 -36.2118 33.2935 -2.53257 225.804 -36.212 225.804 -217.75 GPRESSURE: 1612200 -16.4788 64.6421 -70.0934 62.8361 138.081 221.828 -104.927 163.02 -294.692 PRESSAVG: 1612200 22.4393 -18.8218 41.2453 -18.8218 23.5055 -14.5119 41.2453 -14.5118 4.85669 GPRESSAVG: 1612200 24.4144 -18.9474 41.6545 -18.9084 21.9041 -14.5499 40.9642 -13.62 4.52959 TIMING: 1612200 CPU: 5097.29, 0.00317585/step Wall: 5097.29, 0.00317585/step, 2.98865 hours remaining, 235.773438 MB of memory in use. ENERGY: 1612200 3976.1609 20570.1721 14601.6017 254.0386 -203364.6559 2580.2529 0.0000 0.0000 52308.1724 -109074.2574 300.6158 -161382.4297 -108709.1821 299.1755 -77.3969 -57.6969 764696.0479 16.9338 16.9494 LDB: ============= START OF LOAD BALANCING ============== 5109.82 LDB: ============== END OF LOAD BALANCING =============== 5109.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5109.83 LDB: ============= START OF LOAD BALANCING ============== 5110.14 LDB: Largest compute 7053 load 0.030303 is 15.5% of average load 0.195472 LDB: Average compute 0.004375 is 2.2% of average load 0.195472 LDB: TIME 5110.15 LOAD: AVG 0.195472 MAX 0.213626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.863 MB LDB: TIME 5110.15 LOAD: AVG 0.195472 MAX 0.213626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: TIME 5110.15 LOAD: AVG 0.195472 MAX 0.213626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.867 MB LDB: ============== END OF LOAD BALANCING =============== 5110.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5110.15 PRESSURE: 1612400 45.0566 95.5083 106.068 95.5081 -255.894 85.1969 106.067 85.1975 -314.075 GPRESSURE: 1612400 40.1999 89.1103 44.193 49.8034 -131.765 109.689 105.185 125.249 -328.202 PRESSAVG: 1612400 15.1014 -4.29827 -5.58195 -4.29821 4.75747 18.3519 -5.58194 18.3519 -11.0822 GPRESSAVG: 1612400 14.6263 -3.58196 -8.04394 -4.33076 5.92961 19.5118 -2.59813 18.4082 -12.3722 TIMING: 1612400 CPU: 5097.94, 0.00323581/step Wall: 5097.94, 0.00323581/step, 3.0449 hours remaining, 235.363281 MB of memory in use. ENERGY: 1612400 4070.9129 20624.6383 14530.2950 218.3738 -203594.7013 2875.5571 0.0000 0.0000 52260.7317 -109014.1926 300.3431 -161274.9243 -108647.6877 300.0253 -174.9709 -139.9223 762287.9613 2.9256 2.7279 PRESSURE: 1612600 147.151 -10.8138 -117.774 -10.8138 48.4436 -35.6457 -117.773 -35.6463 30.991 GPRESSURE: 1612600 230.437 -44.9257 -105.83 -70.2991 39.701 -110.16 -111.463 27.2633 28.6166 PRESSAVG: 1612600 43.4609 -16.4575 -29.4283 -16.4574 -4.61005 2.68219 -29.4283 2.68218 31.5679 GPRESSAVG: 1612600 43.7673 -16.6843 -27.4548 -17.4751 -6.07178 2.97979 -31.5793 1.63529 32.0553 TIMING: 1612600 CPU: 5098.57, 0.0031571/step Wall: 5098.57, 0.0031571/step, 2.97066 hours remaining, 235.363281 MB of memory in use. ENERGY: 1612600 4046.6810 20581.4703 14618.8270 251.1660 -203486.3739 2770.7303 0.0000 0.0000 52239.1219 -108978.3773 300.2190 -161217.4992 -108618.1122 299.7108 75.5284 99.5848 762167.6544 23.4729 23.2503 PRESSURE: 1612800 183.326 133.693 -138.913 133.694 -50.7587 229.768 -138.914 229.769 -14.5199 GPRESSURE: 1612800 236.639 20.1217 -130.511 270.707 -65.2271 232.079 -80.7435 110.361 19.8757 PRESSAVG: 1612800 58.3885 17.9577 40.773 17.9576 -29.4238 3.05477 40.773 3.05477 18.2292 GPRESSAVG: 1612800 57.4623 16.701 39.5184 21.2378 -29.2359 1.7365 41.9522 1.58353 18.8241 TIMING: 1612800 CPU: 5099.2, 0.00315842/step Wall: 5099.2, 0.00315842/step, 2.97172 hours remaining, 235.433594 MB of memory in use. ENERGY: 1612800 3962.2903 20442.2481 14557.8574 244.7471 -203133.6157 2616.6250 0.0000 0.0000 52120.5998 -109189.2480 299.5378 -161309.8478 -108823.2414 300.0969 39.3490 63.7625 760966.5034 15.7313 15.6835 PRESSURE: 1613000 -294.386 0.0628824 155.417 0.0624713 78.9145 -109.291 155.417 -109.291 -36.8163 GPRESSURE: 1613000 -176.782 9.51121 138.651 -45.6579 167.963 -145.515 45.8537 -161.151 -150.753 PRESSAVG: 1613000 33.4851 -46.1332 24.1628 -46.1332 5.70597 -17.6685 24.1629 -17.6685 6.62802 GPRESSAVG: 1613000 33.4593 -44.8337 25.374 -48.3628 6.72055 -16.0191 22.0884 -15.8468 5.85676 TIMING: 1613000 CPU: 5099.84, 0.00316941/step Wall: 5099.84, 0.00316941/step, 2.98189 hours remaining, 235.773438 MB of memory in use. ENERGY: 1613000 4002.4692 20522.6258 14476.6002 250.1159 -203125.6774 2665.6659 0.0000 0.0000 52076.5718 -109131.6286 299.2848 -161208.2005 -108764.4059 299.3601 -84.0958 -53.1907 762893.7778 15.2730 15.3455 PRESSURE: 1613200 -349.982 -93.6698 16.2364 -93.6695 11.1647 -50.022 16.2361 -50.0223 29.7862 GPRESSURE: 1613200 -297.125 -135.7 52.1737 -100.134 56.6043 -36.5953 48.0692 47.5067 18.7091 PRESSAVG: 1613200 38.0237 -33.1127 26.8253 -33.1126 -16.2081 23.2842 26.8252 23.2841 -14.2773 GPRESSAVG: 1613200 39.526 -30.971 26.1442 -32.7744 -16.5429 20.8325 27.5595 22.83 -15.2275 TIMING: 1613200 CPU: 5100.47, 0.00317288/step Wall: 5100.47, 0.00317288/step, 2.98498 hours remaining, 235.773438 MB of memory in use. ENERGY: 1613200 4009.3233 20757.6300 14545.1044 247.7242 -203497.9110 2658.2996 0.0000 0.0000 52142.0533 -109137.7762 299.6611 -161279.8295 -108777.6112 299.2189 -103.0104 -73.9371 762991.1618 2.5128 2.5852 PRESSURE: 1613400 136.526 -85.8059 85.3697 -85.8058 -90.6461 190.464 85.3698 190.466 -193.212 GPRESSURE: 1613400 56.0395 19.5171 121.033 2.82517 38.9139 269.185 102.496 92.7054 -166.804 PRESSAVG: 1613400 -79.617 -8.40331 -56.5436 -8.40334 62.0534 -12.7563 -56.5436 -12.7562 -23.22 GPRESSAVG: 1613400 -80.3597 -12.2318 -55.7354 -8.04041 61.6952 -10.9713 -57.8147 -10.3283 -22.6226 TIMING: 1613400 CPU: 5101.1, 0.00314943/step Wall: 5101.1, 0.00314943/step, 2.96274 hours remaining, 235.773438 MB of memory in use. ENERGY: 1613400 4041.4248 20720.6670 14523.3870 240.3835 -203208.7477 2683.8092 0.0000 0.0000 51965.7100 -109033.3661 298.6476 -160999.0761 -108675.0121 299.5583 -49.1107 -23.9501 762034.6220 -13.5945 -13.7624 PRESSURE: 1613600 -235.041 -99.587 23.3278 -99.5867 -300.843 -93.2011 23.3284 -93.2006 -376.589 GPRESSURE: 1613600 -245.459 5.21587 -0.363551 -178.821 -212.488 -109.799 -51.4481 -62.9649 -364.584 PRESSAVG: 1613600 -17.1495 23.3449 -11.3178 23.3449 58.7097 17.5614 -11.3178 17.5614 17.1478 GPRESSAVG: 1613600 -17.7197 25.5913 -12.1913 22.2043 59.4619 16.0445 -10.6175 15.3007 17.2446 TIMING: 1613600 CPU: 5101.74, 0.00317685/step Wall: 5101.74, 0.00317685/step, 2.98836 hours remaining, 235.773438 MB of memory in use. ENERGY: 1613600 4019.9411 20492.7138 14533.3979 244.7343 -203094.2308 2535.2299 0.0000 0.0000 52360.8213 -108907.3924 300.9184 -161268.2138 -108528.4896 299.7479 -304.1577 -274.1770 763606.0019 19.5693 19.6623 PRESSURE: 1613800 -128.248 -76.3727 161.891 -76.3723 -380.743 134.668 161.89 134.669 -265.769 GPRESSURE: 1613800 -160.585 -155.699 143.799 -28.2731 -377.687 93.0209 114.431 162.72 -158.701 PRESSAVG: 1613800 13.8515 49.4086 -32.0203 49.4086 15.2346 -29.3351 -32.0203 -29.3352 6.23874 GPRESSAVG: 1613800 12.4602 50.0825 -32.2303 46.7386 16.4327 -29.2336 -31.4161 -28.5846 6.08106 TIMING: 1613800 CPU: 5102.37, 0.00315904/step Wall: 5102.37, 0.00315904/step, 2.97142 hours remaining, 235.773438 MB of memory in use. ENERGY: 1613800 3992.2038 20568.3224 14547.7046 247.8348 -203391.0735 2771.3527 0.0000 0.0000 52352.0268 -108911.6283 300.8678 -161263.6551 -108543.1697 300.3106 -258.2530 -232.3244 763964.9972 11.7749 11.6580 PRESSURE: 1614000 116.463 -73.7639 207.699 -73.7631 96.5688 -138.244 207.699 -138.244 324.808 GPRESSURE: 1614000 104.15 0.154614 216.571 -55.1936 156.994 -5.47116 116.642 -101.751 368.413 PRESSAVG: 1614000 18.301 7.5343 2.48776 7.53423 -7.21467 -1.81215 2.48774 -1.81207 -0.790198 GPRESSAVG: 1614000 20.3092 6.68335 2.35215 11.1196 -9.54262 -0.483871 2.1197 -1.35512 -0.966392 TIMING: 1614000 CPU: 5103.01, 0.0031935/step Wall: 5103.01, 0.0031935/step, 3.00367 hours remaining, 235.773438 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: 1614000 4070.3189 20478.2812 14576.5942 250.8050 -203354.9002 2837.5159 0.0000 0.0000 52266.8301 -108874.5550 300.3782 -161141.3851 -108523.1935 300.3771 179.2799 209.8524 762160.6365 3.4320 3.2667 PRESSURE: 1614200 119.651 -36.1101 -191.796 -36.11 31.4725 -10.23 -191.796 -10.2295 145.394 GPRESSURE: 1614200 133.197 -26.3074 -218.378 -137.673 76.854 68.1959 -191.774 -65.2883 179.963 PRESSAVG: 1614200 -12.8838 -4.98364 22.9974 -4.98365 -3.97265 -24.1114 22.9974 -24.1113 -15.9556 GPRESSAVG: 1614200 -15.0144 -5.94762 23.6121 -5.64293 -3.00841 -23.624 23.9911 -25.8105 -15.0416 TIMING: 1614200 CPU: 5103.64, 0.00319009/step Wall: 5103.64, 0.00319009/step, 3.00028 hours remaining, 235.773438 MB of memory in use. ENERGY: 1614200 3986.1102 20568.8249 14589.2021 248.7529 -203154.3049 2718.4199 0.0000 0.0000 52219.4902 -108823.5047 300.1061 -161042.9949 -108463.2386 299.9873 98.8393 130.0047 760311.6532 -10.9374 -11.0215 PRESSURE: 1614400 -34.7355 104.012 -149.539 104.011 -2.6138 -124.848 -149.538 -124.849 -95.4678 GPRESSURE: 1614400 5.60275 -54.5405 -194.732 85.534 1.96255 -93.2298 -131.117 -105.992 -63.449 PRESSAVG: 1614400 -0.973461 -3.12338 -38.0652 -3.12338 40.7892 -52.5462 -38.0652 -52.5461 -30.6888 GPRESSAVG: 1614400 -0.50414 -2.05451 -39.4983 -5.01034 40.7987 -52.8614 -34.612 -50.6079 -31.2986 TIMING: 1614400 CPU: 5104.28, 0.00319813/step Wall: 5104.28, 0.00319813/step, 3.00766 hours remaining, 235.773438 MB of memory in use. ENERGY: 1614400 3989.7756 20628.1814 14543.0489 239.7794 -203056.6447 2598.2982 0.0000 0.0000 52234.3909 -108823.1703 300.1918 -161057.5612 -108462.2753 300.1180 -44.2724 -18.6279 760566.3215 3.0423 2.9987 PRESSURE: 1614600 -25.4504 -184.65 -235.557 -184.65 -316.571 -17.6086 -235.557 -17.6085 -12.5373 GPRESSURE: 1614600 -36.5024 -69.9256 -145.477 -86.6032 -294.502 80.3123 -255.483 -21.9549 48.6653 PRESSAVG: 1614600 44.982 33.7483 -23.2098 33.7482 -34.7162 6.76942 -23.2099 6.76949 5.23573 GPRESSAVG: 1614600 45.246 33.4543 -21.1153 35.1819 -34.8603 7.33902 -25.8449 6.71349 4.69808 TIMING: 1614600 CPU: 5104.92, 0.00320597/step Wall: 5104.92, 0.00320597/step, 3.01486 hours remaining, 235.773438 MB of memory in use. ENERGY: 1614600 3982.3818 20570.2455 14546.2494 251.0537 -203221.7637 2587.5069 0.0000 0.0000 52192.1240 -109092.2025 299.9489 -161284.3265 -108727.6000 299.8128 -118.1862 -94.1129 760961.7156 5.1672 5.0279 PRESSURE: 1614800 1.34767 -52.458 36.2391 -52.4586 -231.441 167.879 36.2386 167.879 -306.686 GPRESSURE: 1614800 43.015 -173.176 45.3649 -0.624672 -277.659 243.173 -21.5786 -8.45038 -224.109 PRESSAVG: 1614800 30.8454 -9.22452 -48.0923 -9.22458 -1.8798 28.067 -48.0923 28.067 9.6694 GPRESSAVG: 1614800 30.1342 -8.11824 -49.0788 -9.63564 -1.4357 27.1496 -48.8104 26.5475 9.93056 TIMING: 1614800 CPU: 5105.57, 0.00320282/step Wall: 5105.57, 0.00320282/step, 3.01172 hours remaining, 235.773438 MB of memory in use. ENERGY: 1614800 3948.8469 20534.6601 14547.2805 253.2638 -203086.1411 2418.5993 0.0000 0.0000 52464.1191 -108919.3714 301.5120 -161383.4905 -108555.1324 300.1708 -178.9263 -152.9177 760070.2343 12.8783 12.8763 PRESSURE: 1615000 -21.7491 26.9319 -147.618 26.9325 49.5901 -73.9842 -147.617 -73.9848 421.324 GPRESSURE: 1615000 -60.4109 -37.1324 -121.99 -24.6354 197.212 -47.9007 -45.6181 -44.0284 404.493 PRESSAVG: 1615000 -65.6236 -19.5494 25.8966 -19.5494 49.953 51.8745 25.8966 51.8744 17.4871 GPRESSAVG: 1615000 -65.4493 -22.2382 25.5873 -18.886 48.6187 51.2746 25.881 54.9656 18.3609 TIMING: 1615000 CPU: 5106.19, 0.00314225/step Wall: 5106.19, 0.00314225/step, 2.95459 hours remaining, 235.773438 MB of memory in use. ENERGY: 1615000 3961.4382 20478.1688 14514.7586 258.3794 -203335.7720 2837.3070 0.0000 0.0000 52352.1276 -108933.5924 300.8684 -161285.7200 -108572.6106 300.1956 149.7217 180.4314 761476.9770 0.6055 0.5101 PRESSURE: 1615200 -441.43 21.6792 132.126 21.68 97.2333 -102.206 132.126 -102.207 -171.455 GPRESSURE: 1615200 -368.793 -87.4666 93.8713 135.399 149.046 -49.0224 59.2027 -183.377 -209.298 PRESSAVG: 1615200 -23.2493 23.8287 -17.3665 23.8286 9.51695 -28.4187 -17.3665 -28.4188 3.69814 GPRESSAVG: 1615200 -22.4422 25.1402 -16.3857 24.5285 9.90626 -28.2538 -18.9346 -29.4986 2.14873 TIMING: 1615200 CPU: 5106.82, 0.00314849/step Wall: 5106.82, 0.00314849/step, 2.96028 hours remaining, 235.773438 MB of memory in use. ENERGY: 1615200 3969.1163 20571.8186 14498.5396 256.8359 -203289.4207 2675.5104 0.0000 0.0000 52321.7451 -108995.8547 300.6938 -161317.5999 -108630.4223 300.3041 -171.8838 -143.0150 762993.1587 -3.3447 -3.4624 PRESSURE: 1615400 -423.509 -20.3152 -58.7249 -20.3145 -259.93 -183.694 -58.7252 -183.695 -32.3099 GPRESSURE: 1615400 -394.431 12.9532 -147.925 63.1442 -212.569 -125.793 30.9912 -192.158 -14.0279 PRESSAVG: 1615400 -38.635 52.9364 -22.3842 52.9364 62.3713 -10.5715 -22.3842 -10.5715 19.8319 GPRESSAVG: 1615400 -39.9115 52.9954 -24.8466 51.6302 62.1613 -11.818 -19.8966 -13.4681 21.044 TIMING: 1615400 CPU: 5107.45, 0.00315268/step Wall: 5107.45, 0.00315268/step, 2.96405 hours remaining, 235.773438 MB of memory in use. ENERGY: 1615400 4069.4566 20534.0187 14532.5888 254.5147 -203143.9182 2648.4141 0.0000 0.0000 52046.6363 -109058.2891 299.1127 -161104.9253 -108688.7750 300.0140 -238.5830 -207.0093 762358.0130 14.5228 14.4312 PRESSURE: 1615600 -255.619 -267.372 147.174 -267.371 7.65062 40.7405 147.174 40.7411 -369.618 GPRESSURE: 1615600 -210.619 -203.397 132.769 -134.166 1.70088 44.7908 144.454 96.6463 -315.594 PRESSAVG: 1615600 25.2737 -27.8701 18.5653 -27.8701 -54.1936 9.45364 18.5653 9.45369 4.39238 GPRESSAVG: 1615600 25.4275 -25.3499 20.8362 -28.5297 -54.2116 10.3848 15.3498 12.1248 4.19079 TIMING: 1615600 CPU: 5108.08, 0.00314963/step Wall: 5108.08, 0.00314963/step, 2.961 hours remaining, 235.773438 MB of memory in use. ENERGY: 1615600 4016.1610 20617.0127 14566.2717 264.4749 -203270.8996 2470.5577 0.0000 0.0000 52084.5442 -109251.8775 299.3306 -161336.4217 -108877.5921 299.6415 -205.8621 -174.8376 761088.6218 -8.1758 -8.1978 PRESSURE: 1615800 -92.5646 29.9964 42.6609 29.9954 -4.1341 162.491 42.6602 162.492 342.37 GPRESSURE: 1615800 27.1681 -9.30924 117.176 48.6272 -2.57472 151.781 6.19573 76.7322 300.225 PRESSAVG: 1615800 12.6166 -20.7411 -3.46098 -20.7411 -44.3484 -1.65767 -3.46102 -1.65765 0.739344 GPRESSAVG: 1615800 13.4938 -22.8053 -3.76201 -19.3596 -43.6463 -0.426907 -3.4109 -3.29513 -0.600711 TIMING: 1615800 CPU: 5108.72, 0.00315861/step Wall: 5108.72, 0.00315861/step, 2.96927 hours remaining, 235.773438 MB of memory in use. ENERGY: 1615800 3984.1989 20459.0758 14621.7998 240.3485 -203468.7018 2507.8001 0.0000 0.0000 52349.5450 -109305.9336 300.8536 -161655.4786 -108935.6987 299.3880 81.8905 108.2728 761871.7326 -10.3308 -10.2511 PRESSURE: 1616000 -62.9014 -36.7617 326.644 -36.7607 197.57 80.6128 326.644 80.6127 -316.394 GPRESSURE: 1616000 -155.71 -54.4415 346.484 -96.0865 266.902 21.4842 264.734 -10.2128 -228.426 PRESSAVG: 1616000 28.9479 -40.3408 41.4126 -40.3408 -70.1723 -16.9004 41.4126 -16.9005 -9.99136 GPRESSAVG: 1616000 27.7579 -40.9774 41.6579 -40.8681 -70.3545 -19.3478 42.552 -17.3865 -8.53027 TIMING: 1616000 CPU: 5109.35, 0.00315426/step Wall: 5109.35, 0.00315427/step, 2.96501 hours remaining, 235.773438 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: 1616000 4021.1086 20497.9152 14569.3835 241.5015 -203622.8040 2915.8529 0.0000 0.0000 51931.8350 -109445.2073 298.4530 -161377.0423 -109079.4261 298.7790 -60.5751 -39.0781 763998.4676 -17.0719 -17.0423 PRESSURE: 1616200 151.966 316.656 94.3315 316.655 293.517 -298.799 94.3309 -298.797 -9.0906 GPRESSURE: 1616200 168.515 268.68 -1.50023 204.262 325.82 -231.282 -13.1381 -317.955 20.7305 PRESSAVG: 1616200 -9.98164 -31.1564 6.16798 -31.1564 23.5828 25.9363 6.16798 25.9364 23.2894 GPRESSAVG: 1616200 -9.54903 -29.4449 5.42357 -30.9614 22.5549 27.8803 7.05808 27.0767 23.8823 TIMING: 1616200 CPU: 5109.98, 0.00315627/step Wall: 5109.98, 0.00315627/step, 2.96672 hours remaining, 235.773438 MB of memory in use. ENERGY: 1616200 3969.3627 20561.8413 14584.6279 242.5690 -203633.1505 2824.9587 0.0000 0.0000 52045.8456 -109403.9453 299.1082 -161449.7909 -109041.2850 299.2339 145.4643 171.6887 763493.0659 12.2969 12.2961 LDB: ============= START OF LOAD BALANCING ============== 5122.51 LDB: ============== END OF LOAD BALANCING =============== 5122.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5122.51 LDB: ============= START OF LOAD BALANCING ============== 5122.83 LDB: Largest compute 7053 load 0.030681 is 15.7% of average load 0.195457 LDB: Average compute 0.004389 is 2.2% of average load 0.195457 LDB: TIME 5122.84 LOAD: AVG 0.195457 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.285 MB LDB: TIME 5122.84 LOAD: AVG 0.195457 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: TIME 5122.84 LOAD: AVG 0.195457 MAX 0.21523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: ============== END OF LOAD BALANCING =============== 5122.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5122.84 PRESSURE: 1616400 50.0867 -21.8641 -41.6294 -21.8658 333.544 54.637 -41.629 54.6371 -10.3887 GPRESSURE: 1616400 145.587 -51.9756 -56.5334 -32.0267 328.925 89.3687 -33.3572 -59.8978 -0.192465 PRESSAVG: 1616400 2.74663 -8.21796 12.7927 -8.21798 42.4691 -77.2281 12.7926 -77.2282 -16.0796 GPRESSAVG: 1616400 2.41768 -7.6248 13.1072 -9.11964 42.8605 -77.2833 12.5093 -81.2107 -16.7105 TIMING: 1616400 CPU: 5110.63, 0.00324681/step Wall: 5110.63, 0.00324681/step, 3.05164 hours remaining, 236.855469 MB of memory in use. ENERGY: 1616400 4029.7462 20325.1644 14503.7822 230.9287 -203427.0079 2836.9134 0.0000 0.0000 52066.2164 -109434.2566 299.2253 -161500.4731 -109068.5284 299.1776 124.4140 158.1064 763576.0753 9.7120 9.5226 PRESSURE: 1616600 -130.433 37.5567 43.1659 37.5573 -46.1756 -4.11086 43.1664 -4.11042 -176.682 GPRESSURE: 1616600 -126.719 -29.202 37.2545 82.206 -36.5988 -71.5656 10.8849 8.36586 -95.0705 PRESSAVG: 1616600 17.7459 -23.3105 -9.53944 -23.3105 -52.944 -2.38101 -9.53939 -2.38103 -12.8029 GPRESSAVG: 1616600 17.27 -25.084 -8.91706 -21.7061 -52.8724 -5.95413 -9.41869 1.88777 -12.8123 TIMING: 1616600 CPU: 5111.26, 0.00317445/step Wall: 5111.26, 0.00317445/step, 2.98345 hours remaining, 237.058594 MB of memory in use. ENERGY: 1616600 4028.4579 20315.7111 14544.6761 221.8164 -203207.2340 2801.3900 0.0000 0.0000 51952.5633 -109342.6191 298.5721 -161295.1824 -108976.3044 298.9557 -117.7635 -86.1294 763705.5650 -16.0003 -16.1382 PRESSURE: 1616800 404.261 56.8225 8.00401 56.8228 234.562 9.45933 8.00362 9.45821 -243.098 GPRESSURE: 1616800 466.682 68.7045 -98.3289 -60.9696 272.47 174.306 102.315 -62.0403 -259.035 PRESSAVG: 1616800 29.6384 -3.2139 -1.5452 -3.21388 -38.1412 46.9589 -1.54515 46.959 -9.78966 GPRESSAVG: 1616800 31.2482 0.521869 -3.32663 -5.93745 -38.7246 49.874 -1.04078 44.837 -10.445 TIMING: 1616800 CPU: 5111.9, 0.0032018/step Wall: 5111.9, 0.0032018/step, 3.00898 hours remaining, 237.058594 MB of memory in use. ENERGY: 1616800 4043.6701 20631.8320 14479.1954 251.5960 -203960.1286 3039.5505 0.0000 0.0000 52087.4363 -109426.8483 299.3472 -161514.2846 -109055.9325 299.3888 131.9085 160.0389 762306.7590 -6.0975 -5.9738 PRESSURE: 1617000 -178.098 -18.5109 -126.62 -18.5106 200.714 12.4035 -126.619 12.404 -356.984 GPRESSURE: 1617000 -113.404 17.9165 -153.077 -132.572 161.982 -55.5349 -13.4368 -59.0362 -307.882 PRESSAVG: 1617000 55.1672 -42.0683 73.0462 -42.0683 -14.5451 34.2055 73.0462 34.2054 12.1725 GPRESSAVG: 1617000 54.936 -45.3895 73.1483 -41.6094 -14.5466 33.3566 72.3083 35.7734 12.5494 TIMING: 1617000 CPU: 5112.54, 0.00316916/step Wall: 5112.54, 0.00316916/step, 2.97813 hours remaining, 237.128906 MB of memory in use. ENERGY: 1617000 3928.2816 20734.9238 14517.6556 271.4691 -203893.2128 2833.5248 0.0000 0.0000 52114.3483 -109493.0095 299.5019 -161607.3578 -109133.9332 298.9238 -111.4561 -86.4349 763541.1977 17.5982 17.6463 PRESSURE: 1617200 -281.616 150.519 -102.069 150.52 49.4688 275.042 -102.069 275.042 -141.798 GPRESSURE: 1617200 -198.469 62.0981 -55.0321 143.603 70.4447 323.544 -124.991 127.57 -162.488 PRESSAVG: 1617200 22.1392 3.59156 4.69237 3.59156 12.9687 -24.8136 4.69232 -24.8135 -2.07833 GPRESSAVG: 1617200 23.9048 3.92263 6.47271 4.7657 12.2584 -24.0908 5.40117 -26.0038 -2.54747 TIMING: 1617200 CPU: 5113.18, 0.00321201/step Wall: 5113.18, 0.00321201/step, 3.01822 hours remaining, 237.128906 MB of memory in use. ENERGY: 1617200 3935.5390 20468.3433 14533.5832 241.4440 -203205.0639 2505.7388 0.0000 0.0000 52209.3354 -109311.0803 300.0478 -161520.4157 -108935.8320 298.8703 -124.6484 -96.8375 762849.5470 11.0099 11.2053 PRESSURE: 1617400 107.545 213.984 71.142 213.984 -39.8704 -152.035 71.1411 -152.036 9.72356 GPRESSURE: 1617400 158.957 67.6856 29.3414 173.556 -61.3952 -140.564 -51.2145 -171.569 66.3026 PRESSAVG: 1617400 -9.0372 -16.4228 -6.40159 -16.4228 -1.65927 17.816 -6.40153 17.816 2.76758 GPRESSAVG: 1617400 -10.8462 -17.2645 -6.68463 -18.4942 -0.765341 16.534 -8.04356 16.4222 3.52461 TIMING: 1617400 CPU: 5113.81, 0.0031714/step Wall: 5113.81, 0.0031714/step, 2.97988 hours remaining, 237.328125 MB of memory in use. ENERGY: 1617400 3945.0742 20504.7301 14492.8975 238.3872 -203604.2570 2785.0257 0.0000 0.0000 52190.2044 -109447.9380 299.9378 -161638.1424 -109088.5010 298.8556 25.7994 54.6216 762060.9191 -2.6430 -2.6956 PRESSURE: 1617600 -416.332 -165.841 -182.903 -165.841 67.3367 -49.5266 -182.902 -49.5275 -33.5699 GPRESSURE: 1617600 -383.205 -47.8074 -136.368 -63.0904 120.891 -37.5843 -134.232 48.3405 -65.7967 PRESSAVG: 1617600 -13.3537 -9.71255 -47.4313 -9.71249 17.6079 54.3923 -47.4312 54.3924 12.927 GPRESSAVG: 1617600 -13.302 -7.5743 -47.4495 -6.52529 17.6399 55.2506 -48.0791 55.6824 11.9093 TIMING: 1617600 CPU: 5114.45, 0.00318781/step Wall: 5114.45, 0.00318781/step, 2.99512 hours remaining, 237.328125 MB of memory in use. ENERGY: 1617600 3984.9512 20672.0357 14581.4800 240.9985 -203162.0122 2668.2659 0.0000 0.0000 51514.0104 -109500.2706 296.0517 -161014.2810 -109145.1583 298.6955 -127.5216 -109.3703 763966.4566 5.7271 5.4157 PRESSURE: 1617800 316.74 -393.761 61.4187 -393.76 -58.2152 114.755 61.4189 114.755 -46.1328 GPRESSURE: 1617800 172.123 -197.879 156.682 -392.44 114.877 18.98 169.952 149.916 0.526982 PRESSAVG: 1617800 -24.2004 -27.7141 -6.75749 -27.7141 84.1407 -25.9567 -6.75749 -25.9566 -0.400048 GPRESSAVG: 1617800 -25.1732 -27.0292 -7.85509 -29.7235 85.1022 -26.9732 -4.56829 -23.5498 -0.0533876 TIMING: 1617800 CPU: 5115.1, 0.00322308/step Wall: 5115.1, 0.00322308/step, 3.02809 hours remaining, 237.328125 MB of memory in use. ENERGY: 1617800 3961.3738 20588.7692 14497.5999 276.9505 -203283.2342 2687.1045 0.0000 0.0000 51879.7323 -109391.7039 298.1535 -161271.4363 -109034.6157 298.4715 70.7972 95.8424 762955.4475 19.8467 19.9585 PRESSURE: 1618000 -279.302 5.09753 221.656 5.09743 -452.897 115.486 221.655 115.485 -532.775 GPRESSURE: 1618000 -165.201 -88.2787 212.269 110.375 -388.097 190.682 273.353 131.331 -618.997 PRESSAVG: 1618000 -0.958497 -45.3178 -12.3777 -45.3177 -14.7818 -17.9317 -12.3777 -17.9317 0.404045 GPRESSAVG: 1618000 0.114884 -46.7727 -11.4889 -43.1892 -15.6839 -17.4736 -13.9832 -17.0929 0.315721 TIMING: 1618000 CPU: 5115.73, 0.00315553/step Wall: 5115.73, 0.00315553/step, 2.96444 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: 1618000 4021.5644 20595.1635 14532.4762 244.9664 -202835.3745 2304.9448 0.0000 0.0000 51862.0089 -109274.2503 298.0517 -161136.2591 -108917.1635 299.1649 -421.6579 -390.7649 764262.0031 -5.1121 -5.0844 PRESSURE: 1618200 -737.847 -94.634 98.8291 -94.6346 -265.672 36.7297 98.8291 36.7302 -843.488 GPRESSURE: 1618200 -599.776 -93.2488 54.1415 -64.3591 -417.748 128.375 71.1921 -36.026 -738.002 PRESSAVG: 1618200 -6.89768 -51.792 14.9961 -51.792 27.2329 -5.32344 14.996 -5.32352 -18.3654 GPRESSAVG: 1618200 -6.73145 -52.4102 14.6014 -51.191 28.1551 -3.46747 15.7283 -6.98827 -19.207 TIMING: 1618200 CPU: 5116.36, 0.00316124/step Wall: 5116.36, 0.00316124/step, 2.96964 hours remaining, 237.328125 MB of memory in use. ENERGY: 1618200 4063.0158 20424.2031 14549.5436 227.2644 -202915.2791 2384.2367 0.0000 0.0000 52001.8129 -109265.2028 298.8551 -161267.0157 -108903.2139 299.3415 -615.6691 -585.1751 762735.9906 0.6566 0.7389 PRESSURE: 1618400 -8.16538 293.854 129.697 293.854 -84.7916 23.5775 129.698 23.5773 -309.962 GPRESSURE: 1618400 -10.5006 237.313 175.466 288.689 -87.5819 -17.4647 155.691 49.9442 -230.045 PRESSAVG: 1618400 -49.2316 -32.1685 42.9153 -32.1686 16.4149 -26.4779 42.9153 -26.4779 28.136 GPRESSAVG: 1618400 -47.5819 -31.3668 43.1303 -34.4263 14.4541 -27.2579 41.3296 -25.8224 28.212 TIMING: 1618400 CPU: 5116.99, 0.00316927/step Wall: 5116.99, 0.00316927/step, 2.977 hours remaining, 237.328125 MB of memory in use. ENERGY: 1618400 3943.6243 20643.8682 14531.4222 264.3132 -203333.5116 2777.9758 0.0000 0.0000 52068.3195 -109103.9884 299.2373 -161172.3079 -108749.2196 299.2843 -134.3062 -109.3757 762126.3885 -1.5603 -1.6386 PRESSURE: 1618600 125.147 -159.149 87.8172 -159.148 198.603 37.6945 87.8166 37.6947 73.4464 GPRESSURE: 1618600 201.561 -47.7772 68.7097 -80.6156 242.132 56.7203 122.454 149.611 46.0888 PRESSAVG: 1618600 -2.74167 -6.68019 45.8026 -6.68021 -10.9243 -31.3298 45.8025 -31.3297 -16.6379 GPRESSAVG: 1618600 -2.97236 -7.42753 45.511 -5.87577 -9.95422 -31.0084 46.6214 -32.2766 -18.1802 TIMING: 1618600 CPU: 5117.62, 0.00314747/step Wall: 5117.62, 0.00314747/step, 2.95635 hours remaining, 237.328125 MB of memory in use. ENERGY: 1618600 4072.1671 20589.0231 14462.3454 248.8611 -203070.3235 2710.3731 0.0000 0.0000 52032.6288 -108954.9249 299.0322 -160987.5537 -108599.0718 300.0173 132.3988 163.2607 763024.4165 -10.1013 -10.3689 PRESSURE: 1618800 39.9512 220.675 238.14 220.675 -275.69 -27.1379 238.139 -27.1368 98.9765 GPRESSURE: 1618800 -6.99376 147.913 278.449 257.373 -163.067 -40.4752 190.42 -63.5157 105.835 PRESSAVG: 1618800 -4.0444 19.3428 11.6779 19.3428 -46.2556 -11.0673 11.6778 -11.0673 -3.0268 GPRESSAVG: 1618800 -6.72507 20.1618 13.5948 18.5275 -46.2512 -10.5865 10.4839 -10.3954 -0.615094 TIMING: 1618800 CPU: 5118.25, 0.00314141/step Wall: 5118.25, 0.00314141/step, 2.95048 hours remaining, 237.328125 MB of memory in use. ENERGY: 1618800 3991.9466 20538.5258 14518.3521 242.1399 -203200.1939 2592.8452 0.0000 0.0000 52171.6543 -109144.7301 299.8312 -161316.3843 -108784.0468 299.8819 -45.5875 -21.4086 762741.4051 -17.7756 -17.8638 PRESSURE: 1619000 55.871 -33.5724 60.683 -33.5727 38.2061 54.2152 60.6827 54.2151 -208.494 GPRESSURE: 1619000 111.126 38.2116 92.1479 56.1748 103.583 22.3442 32.8649 -8.6475 -238.361 PRESSAVG: 1619000 -35.4929 3.864 9.8711 3.864 9.81806 36.151 9.87116 36.151 -3.55603 GPRESSAVG: 1619000 -35.2921 1.53871 10.5503 6.35268 10.9969 34.5864 11.3835 37.3615 -4.83512 TIMING: 1619000 CPU: 5118.88, 0.00315567/step Wall: 5118.88, 0.00315567/step, 2.9637 hours remaining, 237.328125 MB of memory in use. ENERGY: 1619000 3957.8398 20563.2492 14504.7784 251.3275 -203930.1009 3191.4773 0.0000 0.0000 52267.4416 -109193.9872 300.3817 -161461.4287 -108822.3991 299.7351 -38.1391 -7.8841 762545.3076 -9.7436 -9.7101 PRESSURE: 1619200 259.355 9.59874 52.5076 9.59856 164.702 -69.7714 52.5074 -69.7712 42.7817 GPRESSURE: 1619200 417.787 -29.2581 -37.52 -35.4182 168.237 -94.1253 94.5207 84.1939 -16.4557 PRESSAVG: 1619200 -33.8677 -7.18277 57.4073 -7.18285 12.9501 -29.71 57.4073 -29.71 0.186888 GPRESSAVG: 1619200 -32.8864 -7.77164 55.7544 -7.97613 11.3839 -30.3777 58.3437 -29.5959 0.821941 TIMING: 1619200 CPU: 5119.51, 0.00315986/step Wall: 5119.51, 0.00315986/step, 2.96746 hours remaining, 237.328125 MB of memory in use. ENERGY: 1619200 3931.9583 20457.8869 14455.0672 257.3322 -203101.8722 2659.1914 0.0000 0.0000 52358.4154 -108982.0208 300.9045 -161340.4362 -108609.4870 299.8359 155.6131 189.8561 763206.4661 -6.9102 -6.8935 PRESSURE: 1619400 94.0263 -15.7783 -37.072 -15.7781 87.82 -73.6564 -37.0732 -73.6569 49.6733 GPRESSURE: 1619400 116.194 104.386 15.2059 -20.5101 72.0034 -34.4221 -65.5933 -120.526 136.172 PRESSAVG: 1619400 39.3081 -8.54167 -3.34817 -8.54169 -38.4107 50.818 -3.34816 50.818 -4.60844 GPRESSAVG: 1619400 39.3088 -7.19527 -2.96019 -9.18706 -38.1657 52.3525 -5.18759 50.0163 -4.62376 TIMING: 1619400 CPU: 5120.14, 0.00314557/step Wall: 5120.14, 0.00314557/step, 2.95386 hours remaining, 237.328125 MB of memory in use. ENERGY: 1619400 3951.6783 20556.1268 14603.6166 236.4792 -203189.9710 2706.7652 0.0000 0.0000 52142.1798 -108993.1252 299.6618 -161135.3050 -108633.2295 299.9233 77.1732 108.1230 761841.7071 -1.2370 -1.1602 PRESSURE: 1619600 97.9242 -127.225 58.3214 -127.225 -165.061 -85.7983 58.3213 -85.798 -63.756 GPRESSURE: 1619600 100.065 -48.6558 20.8158 -149.879 -220.048 -149.551 75.5243 -15.5226 61.6114 PRESSAVG: 1619600 7.46389 12.8454 34.8079 12.8454 -56.2816 20.1536 34.8079 20.1536 -1.0054 GPRESSAVG: 1619600 6.56845 13.3815 34.8963 12.2561 -56.444 20.0355 33.968 17.3327 0.172403 TIMING: 1619600 CPU: 5120.77, 0.00313474/step Wall: 5120.77, 0.00313474/step, 2.94352 hours remaining, 237.328125 MB of memory in use. ENERGY: 1619600 3994.2674 20409.4860 14539.8640 251.7091 -203047.1354 2632.2346 0.0000 0.0000 52347.2473 -108872.3271 300.8403 -161219.5743 -108506.7729 299.6591 -43.6309 -19.4570 761968.1312 -16.6077 -16.5677 PRESSURE: 1619800 -86.2578 27.0742 165.152 27.0747 -61.6401 14.2776 165.152 14.2775 67.9901 GPRESSURE: 1619800 -100.412 151.959 166.383 8.45008 47.8645 -34.2995 202.133 112.669 69.6244 PRESSAVG: 1619800 46.0531 9.22035 34.3331 9.2203 -64.1167 17.0242 34.3332 17.024 7.74172 GPRESSAVG: 1619800 46.0684 9.69189 35.0185 8.71459 -62.6397 16.0906 34.5798 19.331 6.22093 TIMING: 1619800 CPU: 5121.4, 0.00314397/step Wall: 5121.4, 0.00314397/step, 2.95201 hours remaining, 237.328125 MB of memory in use. ENERGY: 1619800 3943.4741 20690.5076 14508.3783 257.8744 -203120.8888 2704.4859 0.0000 0.0000 52183.6671 -108832.5014 299.9003 -161016.1685 -108468.5467 300.2870 -26.6359 5.6921 763389.7035 -3.4406 -3.4501 PRESSURE: 1620000 -272.193 194.992 -150.34 194.992 -82.1945 122.695 -150.34 122.694 -135.049 GPRESSURE: 1620000 -203.67 266.015 -67.0826 150.663 -42.5346 130.873 -214.052 -17.8562 -148.772 PRESSAVG: 1620000 10.289 -29.7279 -4.16743 -29.728 5.33687 18.8759 -4.16742 18.8759 -5.04307 GPRESSAVG: 1620000 10.7158 -31.7352 -5.04289 -28.6133 4.84434 19.6181 -2.32437 17.5892 -4.6391 TIMING: 1620000 CPU: 5122.03, 0.00315455/step Wall: 5122.03, 0.00315455/step, 2.96177 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: 1620000 4010.5143 20412.3764 14531.3914 236.8549 -202943.9050 2478.9384 0.0000 0.0000 52274.8967 -108998.9330 300.4245 -161273.8297 -108639.2373 299.9772 -163.1455 -131.6588 763347.1643 3.5276 3.6403 PRESSURE: 1620200 94.6191 -208.711 -0.200056 -208.71 -170.579 -151.366 -0.200868 -151.365 -14.0422 GPRESSURE: 1620200 92.4272 -251.418 -10.2951 -208.4 -104.95 -117.339 -1.18023 -133.707 -3.12226 PRESSAVG: 1620200 42.5962 -39.4041 -17.4193 -39.4041 -5.99888 -113.523 -17.4194 -113.523 28.1745 GPRESSAVG: 1620200 43.8227 -36.646 -18.1172 -41.2778 -6.23724 -113.308 -17.4259 -113.899 27.1805 TIMING: 1620200 CPU: 5122.65, 0.00311673/step Wall: 5122.65, 0.00311673/step, 2.92609 hours remaining, 237.328125 MB of memory in use. ENERGY: 1620200 3974.0772 20724.3392 14584.1849 266.5835 -202916.5825 2295.5647 0.0000 0.0000 51948.4894 -109123.3436 298.5487 -161071.8330 -108772.3350 299.6407 -30.0008 -5.2149 761726.5415 21.5906 21.5887 LDB: ============= START OF LOAD BALANCING ============== 5135.18 LDB: ============== END OF LOAD BALANCING =============== 5135.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5135.18 LDB: ============= START OF LOAD BALANCING ============== 5135.5 LDB: Largest compute 7053 load 0.031609 is 16.2% of average load 0.195499 LDB: Average compute 0.004390 is 2.2% of average load 0.195499 LDB: TIME 5135.5 LOAD: AVG 0.195499 MAX 0.212699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.734 MB LDB: TIME 5135.5 LOAD: AVG 0.195499 MAX 0.212699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: TIME 5135.5 LOAD: AVG 0.195499 MAX 0.212699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: ============== END OF LOAD BALANCING =============== 5135.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5135.51 PRESSURE: 1620400 256.4 93.6879 -34.0257 93.6888 -238.421 45.9598 -34.025 45.9611 -225.535 GPRESSURE: 1620400 165.474 233.227 20.0096 147.956 -71.5114 152.59 37.8502 -62.4477 -194.653 PRESSAVG: 1620400 43.9082 6.26056 -56.2215 6.26059 -73.6649 -47.059 -56.2215 -47.059 13.0048 GPRESSAVG: 1620400 42.7614 5.66236 -54.3361 7.93115 -72.8096 -47.1601 -56.4253 -46.2677 13.4153 TIMING: 1620400 CPU: 5123.29, 0.00320035/step Wall: 5123.29, 0.00320035/step, 3.00442 hours remaining, 234.812500 MB of memory in use. ENERGY: 1620400 4082.6483 20504.3943 14428.2992 270.8780 -203099.9182 2564.3238 0.0000 0.0000 52048.7751 -109200.5995 299.1250 -161249.3746 -108848.7129 299.0569 -69.1856 -33.5635 762173.4784 -5.5840 -5.5443 PRESSURE: 1620600 570.264 31.8591 -178.32 31.86 64.9553 264.65 -178.32 264.65 262.553 GPRESSURE: 1620600 582.364 85.6475 -171.886 61.5884 106.002 126.631 -143.07 165.295 296.186 PRESSAVG: 1620600 -18.2066 -72.2201 -3.25201 -72.2201 14.2193 -74.171 -3.25199 -74.1711 2.22031 GPRESSAVG: 1620600 -19.1636 -72.423 -3.25393 -71.9294 14.7666 -75.1608 -3.88066 -74.1621 2.26717 TIMING: 1620600 CPU: 5123.92, 0.00315656/step Wall: 5123.92, 0.00315656/step, 2.96313 hours remaining, 234.812500 MB of memory in use. ENERGY: 1620600 3978.6301 20458.9639 14496.9853 237.6359 -203273.0125 2829.3138 0.0000 0.0000 52240.2446 -109031.2388 300.2254 -161271.4834 -108669.7324 299.7335 299.2573 328.1840 762368.9844 -0.5890 -0.7100 PRESSURE: 1620800 188.19 -56.1615 124.148 -56.1616 -167.243 -10.6792 124.148 -10.6795 4.08006 GPRESSURE: 1620800 201.735 -69.8051 111.088 12.0751 -81.0554 -84.1701 38.9294 111.103 -3.22142 PRESSAVG: 1620800 33.4878 -38.7941 -8.63181 -38.7941 -9.69675 27.3254 -8.63184 27.3254 7.6459 GPRESSAVG: 1620800 34.5237 -39.4311 -9.34673 -38.638 -10.7991 26.8724 -9.0852 28.3494 7.5242 TIMING: 1620800 CPU: 5124.56, 0.0031578/step Wall: 5124.56, 0.0031578/step, 2.96412 hours remaining, 234.812500 MB of memory in use. ENERGY: 1620800 4021.5258 20364.8640 14494.4111 262.2771 -203356.3232 2703.3962 0.0000 0.0000 52232.6171 -109277.2318 300.1816 -161509.8489 -108907.6814 298.9599 8.3426 39.1528 761566.0525 10.4790 10.4163 PRESSURE: 1621000 33.1247 35.4644 127.919 35.4646 18.501 108.211 127.92 108.212 150.973 GPRESSURE: 1621000 74.7042 2.37821 114.266 90.6179 85.8464 137.748 82.606 56.9449 123.316 PRESSAVG: 1621000 49.7689 4.0599 -17.353 4.05995 -48.5741 22.2486 -17.353 22.2486 -10.6303 GPRESSAVG: 1621000 48.8321 3.32461 -16.8208 3.06538 -48.5245 23.6609 -17.2307 22.057 -10.1142 TIMING: 1621000 CPU: 5125.19, 0.00316972/step Wall: 5125.19, 0.00316972/step, 2.97513 hours remaining, 234.812500 MB of memory in use. ENERGY: 1621000 3912.0073 20625.7029 14486.2295 238.2358 -202923.3816 2314.2876 0.0000 0.0000 51987.8762 -109359.0422 298.7750 -161346.9185 -108998.4558 299.0020 67.5329 94.6221 761444.7256 -3.1452 -3.2688 PRESSURE: 1621200 -178.781 -356.46 80.4282 -356.46 -67.4761 63.0448 80.4285 63.0444 325.998 GPRESSURE: 1621200 -96.6974 -307.215 28.3785 -369.038 -52.1055 43.7348 -107.199 -32.8536 309.546 PRESSAVG: 1621200 -8.14956 -7.68112 -7.83906 -7.68117 -9.00667 -24.2445 -7.83914 -24.2445 -11.5269 GPRESSAVG: 1621200 -8.00673 -6.03422 -10.0619 -7.50918 -9.00709 -25.2097 -7.69052 -25.6037 -12.0194 TIMING: 1621200 CPU: 5125.82, 0.00316325/step Wall: 5125.82, 0.00316325/step, 2.96889 hours remaining, 234.812500 MB of memory in use. ENERGY: 1621200 3977.8181 20519.9167 14512.5502 245.8748 -202979.5242 2422.3860 0.0000 0.0000 51910.0940 -109390.8845 298.3280 -161300.9785 -109033.7267 298.7679 26.5801 53.5812 762295.3834 -9.5611 -9.6777 PRESSURE: 1621400 -58.917 -146.485 -109.689 -146.486 166.152 -173.384 -109.69 -173.384 193.223 GPRESSURE: 1621400 33.0904 -76.3974 -20.801 -70.8988 146.082 -92.9565 -196.254 -115.527 201.892 PRESSAVG: 1621400 15.2499 -8.81127 -26.2001 -8.81128 12.9647 2.14799 -26.2 2.14802 10.1866 GPRESSAVG: 1621400 16.0534 -8.65768 -26.8566 -9.06808 12.5367 2.72009 -26.654 1.76587 9.89822 TIMING: 1621400 CPU: 5126.46, 0.00317576/step Wall: 5126.46, 0.00317576/step, 2.98045 hours remaining, 234.812500 MB of memory in use. ENERGY: 1621400 3969.2824 20535.7907 14545.7151 227.6388 -203452.8100 2758.4609 0.0000 0.0000 51894.4587 -109521.4633 298.2382 -161415.9220 -109157.3183 298.4906 100.1526 127.0217 760712.8051 12.8004 12.8294 PRESSURE: 1621600 205.045 156.808 -27.5738 156.809 216.502 -49.6511 -27.5737 -49.6503 228.844 GPRESSURE: 1621600 296.789 151.283 84.4989 53.4604 136.879 2.1919 -15.3115 -109.573 306.276 PRESSAVG: 1621600 -12.6738 -16.0789 23.5504 -16.0789 8.61827 -56.3035 23.5503 -56.3035 -3.43173 GPRESSAVG: 1621600 -12.0141 -17.2841 25.8047 -18.2686 7.86586 -55.6284 23.9819 -56.6459 -3.66712 TIMING: 1621600 CPU: 5127.09, 0.00317743/step Wall: 5127.09, 0.00317743/step, 2.98184 hours remaining, 234.812500 MB of memory in use. ENERGY: 1621600 3989.1546 20521.1950 14505.5698 250.7195 -203779.4386 2796.4204 0.0000 0.0000 52204.4366 -109511.9428 300.0196 -161716.3794 -109159.9369 298.8056 216.7969 246.6481 759442.8024 -2.4957 -2.6051 PRESSURE: 1621800 42.9623 -67.9019 1.03056 -67.9022 14.632 -236.477 1.03124 -236.477 256.651 GPRESSURE: 1621800 22.013 -260.452 46.2555 -16.6737 125.159 -228.002 -19.2451 -119.793 266.795 PRESSAVG: 1621800 1.68443 14.106 0.875051 14.106 -2.11594 19.8129 0.875045 19.8129 -1.99961 GPRESSAVG: 1621800 0.579183 13.9622 0.138536 16.9552 -0.976863 18.8821 -0.141054 19.6684 -1.95977 TIMING: 1621800 CPU: 5127.72, 0.00315814/step Wall: 5127.72, 0.00315814/step, 2.96357 hours remaining, 234.812500 MB of memory in use. ENERGY: 1621800 3998.8388 20546.2633 14546.9493 259.1818 -203223.7500 2660.0082 0.0000 0.0000 51849.6957 -109362.8129 297.9809 -161212.5086 -109007.1062 299.5252 104.7485 137.9890 761165.9104 -0.8104 -0.7858 PRESSURE: 1622000 115.286 -91.8321 -68.3029 -91.8322 -44.9952 67.4904 -68.3033 67.4904 -257.11 GPRESSURE: 1622000 138.706 -96.2623 -122.609 -18.2245 23.5749 84.2904 -70.9467 76.2328 -267.789 PRESSAVG: 1622000 33.2725 -14.9604 4.41384 -14.9605 -69.8758 -62.7669 4.4138 -62.7669 -5.32066 GPRESSAVG: 1622000 34.0745 -15.139 5.25535 -15.7003 -70.0097 -62.2982 4.91573 -62.9844 -5.92155 TIMING: 1622000 CPU: 5128.36, 0.00316273/step Wall: 5128.36, 0.00316273/step, 2.9677 hours remaining, 234.878906 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: 1622000 4070.6471 20440.8661 14693.6501 268.0621 -203714.3729 2816.4480 0.0000 0.0000 51912.2450 -109512.4545 298.3404 -161424.6995 -109149.7153 298.5140 -62.2730 -35.1694 760380.3320 -13.9746 -13.9522 PRESSURE: 1622200 73.3433 -21.5013 225.567 -21.5013 72.3142 65.2521 225.566 65.2533 -244.059 GPRESSURE: 1622200 100.251 46.2712 245.623 15.414 117.889 -21.3101 215.877 47.6455 -238.132 PRESSAVG: 1622200 43.2438 -27.5123 45.4171 -27.5122 -8.59158 -48.552 45.417 -48.552 4.29671 GPRESSAVG: 1622200 44.2016 -27.7365 46.0292 -26.5159 -10.3829 -48.8966 44.4467 -48.2677 4.81546 TIMING: 1622200 CPU: 5128.99, 0.00317562/step Wall: 5128.99, 0.00317562/step, 2.97961 hours remaining, 234.878906 MB of memory in use. ENERGY: 1622200 3998.6898 20293.4535 14545.7060 250.9925 -203107.0685 2559.6342 0.0000 0.0000 52057.4084 -109401.1841 299.1746 -161458.5925 -109030.5593 298.9377 -32.8004 -6.6642 762178.8682 12.9830 12.8781 PRESSURE: 1622400 5.96958 -79.1928 -164.816 -79.1925 -188.898 -50.4514 -164.816 -50.4519 298.525 GPRESSURE: 1622400 1.94183 17.6369 -120.684 -69.4088 -72.864 -141.965 -127.467 -13.6257 268.636 PRESSAVG: 1622400 22.3691 -7.3807 -13.0146 -7.38068 -13.6588 -44.2628 -13.0146 -44.2628 -1.80975 GPRESSAVG: 1622400 22.2529 -4.16425 -15.7239 -9.71645 -12.4636 -44.7488 -10.688 -43.7704 -2.49243 TIMING: 1622400 CPU: 5129.62, 0.00316164/step Wall: 5129.62, 0.00316164/step, 2.96632 hours remaining, 234.878906 MB of memory in use. ENERGY: 1622400 3921.5036 20425.2718 14634.1857 270.8689 -202919.4620 2379.4658 0.0000 0.0000 51941.5917 -109346.5745 298.5090 -161288.1661 -108979.2601 298.8013 38.5320 65.9048 762619.1200 2.3002 2.4323 PRESSURE: 1622600 -85.8351 84.9357 24.4548 84.9359 -31.7758 200.514 24.4549 200.514 220.138 GPRESSURE: 1622600 5.15584 119.819 39.3295 145.182 -33.0123 200.41 -76.8692 102.612 204.294 PRESSAVG: 1622600 73.4364 18.4909 23.8822 18.4909 -76.4457 4.40983 23.8822 4.40989 15.134 GPRESSAVG: 1622600 71.5995 14.6476 24.6215 19.9802 -75.2021 5.00919 21.62 5.6365 14.8538 TIMING: 1622600 CPU: 5130.25, 0.00314271/step Wall: 5130.25, 0.00314271/step, 2.94839 hours remaining, 234.878906 MB of memory in use. ENERGY: 1622600 3949.2357 20535.1407 14506.8108 237.7360 -203058.4485 2503.5421 0.0000 0.0000 52069.7415 -109256.2417 299.2455 -161325.9832 -108898.6440 299.1513 34.1756 58.8126 763256.7473 4.0416 3.7504 PRESSURE: 1622800 252.557 208.393 -294.767 208.393 -22.8304 15.506 -294.767 15.5059 126.071 GPRESSURE: 1622800 223.182 150.135 -238.384 161.656 -11.224 46.7614 -285.461 37.6186 237.129 PRESSAVG: 1622800 36.6433 68.9907 -25.2552 68.9907 -19.7611 -6.452 -25.2552 -6.45194 -11.2472 GPRESSAVG: 1622800 37.3003 69.2643 -24.6666 69.0975 -22.1042 -5.66629 -24.8878 -7.49382 -9.45657 TIMING: 1622800 CPU: 5130.88, 0.00315424/step Wall: 5130.88, 0.00315423/step, 2.95902 hours remaining, 234.878906 MB of memory in use. ENERGY: 1622800 3974.8623 20503.5633 14520.6880 257.1001 -203345.6685 2676.9511 0.0000 0.0000 52163.0842 -109249.4194 299.7820 -161412.5036 -108892.3516 299.1622 118.5994 149.6957 761521.9233 1.8783 1.9132 PRESSURE: 1623000 -171.908 32.8445 115.484 32.8447 133.958 51.0241 115.483 51.0242 -170.395 GPRESSURE: 1623000 -178.061 125.751 173.014 41.3283 281.147 -0.585579 -19.1888 -27.1314 -206.352 PRESSAVG: 1623000 13.9734 28.3304 20.0463 28.3303 14.4033 -2.575 20.0463 -2.57502 12.0891 GPRESSAVG: 1623000 13.197 29.795 20.5599 26.5224 16.3642 -4.22623 20.2918 -2.29652 10.7402 TIMING: 1623000 CPU: 5131.51, 0.00313657/step Wall: 5131.51, 0.00313657/step, 2.94228 hours remaining, 234.878906 MB of memory in use. ENERGY: 1623000 3982.4603 20494.3319 14573.3676 254.3758 -203011.1628 2468.4895 0.0000 0.0000 52311.3399 -108926.7978 300.6340 -161238.1377 -108569.9473 299.9794 -69.4486 -34.4222 763148.0419 13.4886 13.4338 PRESSURE: 1623200 -95.3604 -19.3161 -15.1943 -19.3158 -505.257 103.043 -15.1945 103.044 178.52 GPRESSURE: 1623200 -55.2367 88.7418 78.9428 -83.0553 -418.555 74.0819 42.8636 105.069 134.407 PRESSAVG: 1623200 25.3771 -43.4929 -4.38255 -43.4929 23.9822 17.197 -4.38259 17.1971 -7.49137 GPRESSAVG: 1623200 25.5193 -42.8072 -5.74381 -44.9683 22.9511 17.7972 -4.56026 17.526 -6.44134 TIMING: 1623200 CPU: 5132.14, 0.00313531/step Wall: 5132.14, 0.0031353/step, 2.94092 hours remaining, 234.878906 MB of memory in use. ENERGY: 1623200 3997.2736 20460.5212 14544.2669 249.3880 -203060.8461 2581.1509 0.0000 0.0000 52113.6604 -109114.5851 299.4979 -161228.2455 -108752.2964 300.4735 -140.6992 -113.1281 762560.9171 13.9560 14.0097 PRESSURE: 1623400 -180.721 53.147 -276.41 53.1468 -308.998 31.4028 -276.41 31.4014 -523.394 GPRESSURE: 1623400 -113.961 129.148 -215.042 61.2126 -367.44 61.7331 -355.809 -6.72574 -458.193 PRESSAVG: 1623400 -58.9856 -31.9166 -6.57806 -31.9166 33.5045 -23.5558 -6.57807 -23.5558 9.42047 GPRESSAVG: 1623400 -59.4108 -33.477 -5.45703 -28.7956 33.5641 -23.312 -6.33948 -24.2573 9.53546 TIMING: 1623400 CPU: 5132.77, 0.00316718/step Wall: 5132.77, 0.00316718/step, 2.97064 hours remaining, 234.878906 MB of memory in use. ENERGY: 1623400 3904.5632 20614.0376 14561.9199 241.9267 -202609.4973 2479.4273 0.0000 0.0000 51833.0870 -108974.5357 297.8855 -160807.6226 -108614.0336 299.8950 -337.7043 -313.1982 763673.7014 -5.3535 -5.4371 PRESSURE: 1623600 -179.339 -331.688 -54.0061 -331.688 5.08525 -21.8725 -54.007 -21.8728 95.5185 GPRESSURE: 1623600 -164.26 -325.189 -55.5541 -326.338 12.2597 42.4408 65.3942 -48.9342 146.251 PRESSAVG: 1623600 -28.5016 8.89856 -39.8376 8.89854 45.6891 -9.38639 -39.8375 -9.38639 -3.93885 GPRESSAVG: 1623600 -28.052 9.50008 -38.5706 8.5089 45.6991 -10.034 -40.5442 -9.31446 -4.71866 TIMING: 1623600 CPU: 5133.41, 0.00317934/step Wall: 5133.41, 0.00317934/step, 2.98187 hours remaining, 234.878906 MB of memory in use. ENERGY: 1623600 3946.1865 20614.3716 14576.4324 229.4485 -202934.9986 2403.6557 0.0000 0.0000 52163.8747 -109001.0293 299.7865 -161164.9039 -108651.6004 300.1929 -26.2451 -1.9164 762428.8587 4.4162 4.3095 PRESSURE: 1623800 -195.251 23.4417 104.149 23.442 -163.709 -12.2816 104.15 -12.2828 -465.214 GPRESSURE: 1623800 -209.369 -58.0551 57.1228 -58.0872 -141.781 -55.4337 137.801 107.61 -385.323 PRESSAVG: 1623800 -29.2567 -36.0523 0.339818 -36.0523 21.2079 2.0889 0.339812 2.08896 -10.2892 GPRESSAVG: 1623800 -28.4757 -35.5812 0.287051 -35.3498 20.1827 5.6849 0.305915 -0.0689463 -9.86016 TIMING: 1623800 CPU: 5134.04, 0.00316099/step Wall: 5134.04, 0.00316099/step, 2.96448 hours remaining, 234.878906 MB of memory in use. ENERGY: 1623800 4000.0363 20457.7068 14525.5328 261.6682 -202760.2402 2269.3301 0.0000 0.0000 52324.0448 -108921.9212 300.7070 -161245.9660 -108569.0724 300.2543 -274.7245 -245.4909 762308.5446 -6.1127 -6.0511 PRESSURE: 1624000 -119.8 206.292 205.137 206.291 -469.823 73.0682 205.137 73.0683 62.0933 GPRESSURE: 1624000 -128.862 188.894 147.729 256.256 -409.446 51.1309 204.69 13.7549 83.1698 PRESSAVG: 1624000 -2.83595 5.02592 -9.17219 5.02596 15.7642 64.178 -9.1722 64.178 -28.1399 GPRESSAVG: 1624000 -4.44483 6.35061 -11.1432 3.829 17.9873 61.6159 -9.1181 67.53 -29.1393 TIMING: 1624000 CPU: 5134.68, 0.0031912/step Wall: 5134.68, 0.0031912/step, 2.99264 hours remaining, 234.878906 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: 1624000 4036.2382 20486.1757 14531.7019 259.0530 -202997.4087 2500.8274 0.0000 0.0000 52303.9663 -108879.4463 300.5916 -161183.4125 -108518.5474 300.2549 -175.8431 -151.7127 762667.9728 -5.0705 -5.1989 PRESSURE: 1624200 -240.021 153.166 -21.9031 153.165 -528.793 27.0214 -21.9033 27.0225 -675.159 GPRESSURE: 1624200 -191.936 168.049 -76.4437 211.054 -460.849 110.521 2.12506 -192.363 -694.971 PRESSAVG: 1624200 -39.5765 0.737777 -40.725 0.73778 59.3039 -36.2434 -40.725 -36.2433 -4.35383 GPRESSAVG: 1624200 -39.2552 0.387705 -38.9642 2.78291 59.0593 -35.4486 -38.5218 -37.6886 -3.99936 TIMING: 1624200 CPU: 5135.31, 0.00316389/step Wall: 5135.31, 0.00316389/step, 2.96685 hours remaining, 234.878906 MB of memory in use. ENERGY: 1624200 4066.3362 20559.9110 14487.5427 224.9459 -202911.7874 2481.5084 0.0000 0.0000 52146.5616 -108944.9816 299.6870 -161091.5433 -108586.0856 300.3108 -481.3242 -449.2521 763349.2656 5.1245 5.2682 LDB: ============= START OF LOAD BALANCING ============== 5147.85 LDB: ============== END OF LOAD BALANCING =============== 5147.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5147.85 LDB: ============= START OF LOAD BALANCING ============== 5148.17 LDB: Largest compute 7053 load 0.031374 is 16.1% of average load 0.195473 LDB: Average compute 0.004381 is 2.2% of average load 0.195473 LDB: TIME 5148.17 LOAD: AVG 0.195473 MAX 0.215335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.391 MB LDB: TIME 5148.17 LOAD: AVG 0.195473 MAX 0.215335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: TIME 5148.17 LOAD: AVG 0.195473 MAX 0.215335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: ============== END OF LOAD BALANCING =============== 5148.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5148.18 PRESSURE: 1624400 434.66 71.133 -359.156 71.1327 -7.85124 109.078 -359.155 109.078 157.378 GPRESSURE: 1624400 324.693 135.054 -460.901 213.565 114.511 89.1173 -357.25 112.808 236.057 PRESSAVG: 1624400 48.0911 -28.2955 -38.4387 -28.2955 -37.7571 -42.1633 -38.4386 -42.1633 36.0268 GPRESSAVG: 1624400 47.5805 -28.0197 -39.1629 -27.9285 -38.6608 -42.5622 -40.1507 -42.1906 37.1384 TIMING: 1624400 CPU: 5135.96, 0.00324816/step Wall: 5135.96, 0.00324816/step, 3.0457 hours remaining, 235.390625 MB of memory in use. ENERGY: 1624400 3986.8368 20475.3868 14476.4468 259.7724 -203550.5206 3073.0298 0.0000 0.0000 52393.7614 -108885.2867 301.1077 -161279.0481 -108516.0171 300.2719 194.7289 225.0871 763035.0114 15.4536 15.3527 PRESSURE: 1624600 -204.677 189.622 -357.718 189.621 176.67 -0.091511 -357.718 -0.0929981 -16.9745 GPRESSURE: 1624600 -194.992 137.193 -343.887 100.368 220.055 -7.59461 -189.62 -15.9815 18.0555 PRESSAVG: 1624600 8.16009 3.02891 -56.4916 3.02896 -13.6859 -15.1025 -56.4916 -15.1025 14.653 GPRESSAVG: 1624600 7.40255 4.38461 -54.4737 -0.431502 -12.778 -15.6935 -57.4409 -13.1221 14.5882 TIMING: 1624600 CPU: 5136.59, 0.00316602/step Wall: 5136.59, 0.00316602/step, 2.9685 hours remaining, 235.390625 MB of memory in use. ENERGY: 1624600 4011.7785 20392.5635 14506.7866 253.1652 -202707.9490 2592.1918 0.0000 0.0000 52151.2260 -108800.2375 299.7138 -160951.4634 -108432.0996 300.3041 -14.9938 14.3729 761414.5451 3.0424 3.0709 PRESSURE: 1624800 308.851 -267.017 43.555 -267.018 -126.26 78.5208 43.5552 78.5208 5.30181 GPRESSURE: 1624800 277.018 -242.37 65.5476 -183.713 -53.6666 47.4886 50.8273 2.51418 38.822 PRESSAVG: 1624800 1.50702 -47.8238 -36.2264 -47.8238 49.6356 -61.8744 -36.2264 -61.8743 9.75996 GPRESSAVG: 1624800 3.16855 -47.9308 -38.0363 -46.1555 48.3142 -59.7209 -32.8793 -65.1629 9.02389 TIMING: 1624800 CPU: 5137.22, 0.00315737/step Wall: 5137.22, 0.00315737/step, 2.96021 hours remaining, 235.796875 MB of memory in use. ENERGY: 1624800 4010.5679 20558.3934 14485.1057 251.6219 -203404.0359 2662.5254 0.0000 0.0000 52521.3013 -108914.5203 301.8406 -161435.8216 -108551.7253 300.3685 62.6310 87.3913 761737.7198 20.3009 20.1689 PRESSURE: 1625000 29.1313 -116.783 -32.1382 -116.783 120.877 -104.971 -32.1381 -104.972 -14.7373 GPRESSURE: 1625000 104.407 -85.6767 -106.645 -119.693 178.921 -83.1144 -178.546 -174.334 -72.6468 PRESSAVG: 1625000 -2.33773 -17.9489 26.2096 -17.9488 -28.6033 18.7274 26.2097 18.7274 -11.6906 GPRESSAVG: 1625000 -3.38671 -18.4289 26.1179 -19.1653 -26.1204 18.2991 23.8561 19.6623 -12.5365 TIMING: 1625000 CPU: 5137.86, 0.00317721/step Wall: 5137.86, 0.00317721/step, 2.97864 hours remaining, 235.796875 MB of memory in use. ENERGY: 1625000 4017.1794 20574.8543 14564.4594 244.3028 -203418.2877 2785.5717 0.0000 0.0000 52310.7174 -108921.2027 300.6304 -161231.9201 -108559.2974 300.1709 45.0903 70.2269 762518.2623 -14.2105 -14.0146 PRESSURE: 1625200 30.0171 -104.084 -22.0897 -104.084 -100.87 -84.9758 -22.0895 -84.976 -165.22 GPRESSURE: 1625200 41.0167 -157.57 29.0576 -196.623 -18.0784 -2.44184 73.1702 -62.0434 -175.592 PRESSAVG: 1625200 -3.44176 -87.0995 -23.7506 -87.0995 3.67383 -5.83147 -23.7506 -5.83158 13.1036 GPRESSAVG: 1625200 -1.84132 -90.4799 -22.6974 -87.4439 1.98493 -7.5773 -24.4228 -4.0524 13.9558 TIMING: 1625200 CPU: 5138.49, 0.0031717/step Wall: 5138.49, 0.0031717/step, 2.97329 hours remaining, 235.796875 MB of memory in use. ENERGY: 1625200 3970.7270 20514.2282 14577.9864 236.3606 -202890.0326 2622.3287 0.0000 0.0000 52022.9271 -108945.4745 298.9765 -160968.4016 -108585.4529 300.0364 -78.6907 -50.8844 764828.8466 4.4452 4.6998 PRESSURE: 1625400 20.4168 51.9498 267.288 51.9498 -157.217 100.45 267.289 100.45 244.226 GPRESSURE: 1625400 86.5627 -6.81253 327.199 12.734 -102.656 132.518 231.303 43.8561 204.823 PRESSAVG: 1625400 0.563056 -44.4257 22.6936 -44.4257 -9.9425 34.9185 22.6937 34.9185 8.05757 GPRESSAVG: 1625400 0.0760105 -42.5028 21.1492 -44.3075 -8.77158 35.6681 25.0204 33.9963 6.66331 TIMING: 1625400 CPU: 5139.13, 0.00316286/step Wall: 5139.13, 0.00316286/step, 2.96483 hours remaining, 235.867188 MB of memory in use. ENERGY: 1625400 3923.2916 20620.3030 14637.7559 252.1413 -202571.2838 2241.5376 0.0000 0.0000 52001.5210 -108894.7333 298.8535 -160896.2543 -108535.3360 299.8232 35.8086 62.9099 763237.7880 -0.4406 -0.6774 PRESSURE: 1625600 30.9766 58.9137 -40.2685 58.9143 154.3 -68.1448 -40.2687 -68.1446 76.6033 GPRESSURE: 1625600 211.467 57.4093 -87.7602 36.3632 133.477 -92.8155 -58.396 -85.3811 -5.30563 PRESSAVG: 1625600 -9.02056 -9.75355 -1.86912 -9.75357 13.6752 -1.72893 -1.86907 -1.72892 -12.9981 GPRESSAVG: 1625600 -9.89506 -8.87165 -1.79291 -12.8848 13.324 -2.08457 -0.788011 -2.30052 -12.2297 TIMING: 1625600 CPU: 5139.76, 0.00317631/step Wall: 5139.76, 0.00317631/step, 2.97727 hours remaining, 235.796875 MB of memory in use. ENERGY: 1625600 4007.6191 20518.3069 14611.5574 237.7579 -202739.1421 2333.2275 0.0000 0.0000 52043.9324 -108986.7409 299.0972 -161030.6734 -108615.8921 299.7749 87.2934 113.2129 762557.0381 -2.7812 -2.9336 PRESSURE: 1625800 27.9002 106.747 89.3084 106.746 -127.982 -244.087 89.3089 -244.087 -154.122 GPRESSURE: 1625800 66.8424 92.7792 8.60414 111.233 -72.9945 -265.639 158.505 -110.257 -131.042 PRESSAVG: 1625800 10.5688 21.1711 0.312048 21.1711 -17.5019 -40.7701 0.312092 -40.7701 9.05473 GPRESSAVG: 1625800 11.9181 19.7558 1.46163 24.536 -18.4991 -40.5835 -3.11102 -39.0615 8.8322 TIMING: 1625800 CPU: 5140.4, 0.00317883/step Wall: 5140.4, 0.00317883/step, 2.97945 hours remaining, 235.796875 MB of memory in use. ENERGY: 1625800 3964.5182 20738.6439 14565.1391 261.6018 -203147.4139 2406.7525 0.0000 0.0000 52163.9416 -109046.8168 299.7869 -161210.7584 -108687.3141 299.6515 -84.7346 -45.7315 761939.8166 0.7072 0.7504 PRESSURE: 1626000 310.637 -37.2445 124.927 -37.2432 215.819 79.3527 124.927 79.3526 -127.157 GPRESSURE: 1626000 336.63 53.0875 203.798 -65.4958 231.954 181.619 159.227 20.2165 -73.8847 PRESSAVG: 1626000 20.0551 -33.7184 -13.2409 -33.7184 16.8442 -22.1061 -13.2409 -22.1061 -5.98898 GPRESSAVG: 1626000 20.11 -34.111 -13.2247 -32.9173 16.9254 -21.8124 -11.1076 -23.0435 -5.78839 TIMING: 1626000 CPU: 5141.03, 0.00316107/step Wall: 5141.03, 0.00316107/step, 2.96263 hours remaining, 235.796875 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: 1626000 4036.5611 20502.0976 14537.5656 238.2845 -203304.2337 2527.4338 0.0000 0.0000 52160.2906 -109302.0004 299.7659 -161462.2911 -108939.3246 299.9208 133.0998 164.8999 762056.4634 10.3034 10.4157 PRESSURE: 1626200 18.8977 -103.43 93.0178 -103.43 23.9802 -223.003 93.0181 -223.002 116.122 GPRESSURE: 1626200 29.7463 -79.781 104.717 -172.332 88.7187 -164.329 31.4071 -311.037 139.667 PRESSAVG: 1626200 -25.9425 -7.98038 -19.7719 -7.9803 -15.4849 -9.08799 -19.7719 -9.08798 7.72824 GPRESSAVG: 1626200 -25.764 -7.58286 -22.1195 -9.13003 -15.1078 -8.85922 -19.4897 -9.58841 7.84701 TIMING: 1626200 CPU: 5141.66, 0.00315283/step Wall: 5141.66, 0.00315283/step, 2.95473 hours remaining, 235.796875 MB of memory in use. ENERGY: 1626200 4007.3389 20475.4558 14530.4395 238.1584 -203292.5251 2679.3630 0.0000 0.0000 52147.9548 -109213.8147 299.6950 -161361.7695 -108847.9622 299.2860 53.0000 86.0440 761296.7424 -11.2331 -11.0083 PRESSURE: 1626400 179.365 -17.3366 -27.3261 -17.3367 -70.5767 187.754 -27.326 187.753 -79.3687 GPRESSURE: 1626400 147.078 -114.178 -64.6239 -89.2384 -28.6085 209.463 -113.841 175.744 1.32072 PRESSAVG: 1626400 18.0201 -35.945 -0.013945 -35.9451 11.3139 -7.43502 -0.013916 -7.43511 -21.2193 GPRESSAVG: 1626400 16.5798 -34.3323 1.88537 -35.5444 12.4789 -7.40512 -0.06564 -6.25839 -20.3237 TIMING: 1626400 CPU: 5142.29, 0.00314784/step Wall: 5142.29, 0.00314784/step, 2.94987 hours remaining, 235.796875 MB of memory in use. ENERGY: 1626400 4013.2609 20484.9315 14461.9777 245.9823 -203285.8949 2674.6189 0.0000 0.0000 51830.7009 -109574.4226 297.8718 -161405.1235 -109225.5735 298.9302 9.8064 39.9302 761137.6605 2.7049 2.9117 PRESSURE: 1626600 19.3294 -87.6197 -133.117 -87.6196 163.931 -1.39523 -133.117 -1.39482 538.619 GPRESSURE: 1626600 151.504 -55.3609 -209.19 -68.7438 140.208 -21.0149 -124.584 139.38 519.971 PRESSAVG: 1626600 16.9215 45.7572 -65.2444 45.7572 25.5467 25.4503 -65.2444 25.4503 -15.9828 GPRESSAVG: 1626600 18.3174 44.0514 -66.086 43.7573 24.0159 24.141 -67.5696 25.2733 -16.2099 TIMING: 1626600 CPU: 5142.92, 0.00314188/step Wall: 5142.92, 0.00314188/step, 2.94412 hours remaining, 235.796875 MB of memory in use. ENERGY: 1626600 3957.3261 20562.8738 14452.3683 260.7206 -203586.3910 2764.9086 0.0000 0.0000 52002.3406 -109585.8530 298.8582 -161588.1936 -109215.6007 298.8765 240.6264 270.5611 760219.6649 8.8285 8.7078 PRESSURE: 1626800 120.586 205.622 179.115 205.622 -87.3848 250.315 179.114 250.315 212.404 GPRESSURE: 1626800 57.109 136.975 315.919 129.194 18.9027 161.77 122.318 195.429 253.175 PRESSAVG: 1626800 12.2022 39.852 -51.9292 39.852 -6.25298 5.24101 -51.9292 5.24098 -4.67222 GPRESSAVG: 1626800 11.3938 38.0606 -50.3288 41.3316 -5.4079 6.39675 -51.4367 2.96001 -4.94011 TIMING: 1626800 CPU: 5143.55, 0.0031615/step Wall: 5143.55, 0.0031615/step, 2.96233 hours remaining, 235.796875 MB of memory in use. ENERGY: 1626800 3962.2736 20424.6314 14478.3416 243.8210 -202949.1849 2428.4916 0.0000 0.0000 52163.1350 -109248.4906 299.7823 -161411.6257 -108885.1245 299.0916 81.8684 109.7289 763244.9813 0.4257 0.3486 PRESSURE: 1627000 348.802 23.3252 137.432 23.325 3.07605 14.8948 137.432 14.8933 74.461 GPRESSURE: 1627000 243.393 -9.54597 135.223 133.222 104.304 117.219 72.4691 92.0902 149.057 PRESSAVG: 1627000 -8.92907 24.3263 -44.4491 24.3263 -22.9859 -23.7953 -44.4491 -23.7954 6.91859 GPRESSAVG: 1627000 -9.3351 25.0216 -45.7494 25.5189 -23.9102 -22.0303 -42.8536 -24.6046 7.07037 TIMING: 1627000 CPU: 5144.18, 0.00314814/step Wall: 5144.18, 0.00314814/step, 2.94964 hours remaining, 235.796875 MB of memory in use. ENERGY: 1627000 3948.6824 20622.7208 14545.0122 254.6425 -203195.3738 2633.6690 0.0000 0.0000 51978.3616 -109212.2853 298.7204 -161190.6468 -108860.7213 299.1817 142.1130 165.5849 761106.9904 -8.3321 -8.7250 PRESSURE: 1627200 211.195 7.33873 -158.087 7.33904 114.248 -277.48 -158.088 -277.48 388.165 GPRESSURE: 1627200 227.882 77.5617 -137.381 -51.436 186.2 -274.809 -234.488 -163.076 386.507 PRESSAVG: 1627200 65.6276 23.0168 -13.8694 23.0167 -56.0474 -35.2096 -13.8695 -35.2095 7.41442 GPRESSAVG: 1627200 67.06 24.2652 -12.6406 22.8611 -56.7222 -36.9866 -14.7528 -33.8413 7.0891 TIMING: 1627200 CPU: 5144.81, 0.00313976/step Wall: 5144.81, 0.00313976/step, 2.94161 hours remaining, 235.796875 MB of memory in use. ENERGY: 1627200 3984.6950 20344.4518 14494.3228 257.2559 -203412.7008 2769.4517 0.0000 0.0000 51919.4481 -109643.0754 298.3818 -161562.5235 -109285.7827 299.0452 237.8696 266.8629 761040.2774 5.6649 5.8090 PRESSURE: 1627400 -134.387 -11.4021 -172.46 -11.4015 -223.361 -44.0683 -172.459 -44.0679 258.339 GPRESSURE: 1627400 -39.2228 1.06287 -151.342 -100.138 -247.09 -58.1162 -92.735 -111.471 266.271 PRESSAVG: 1627400 4.9564 -10.3821 -51.2609 -10.382 -76.8957 -43.4525 -51.2609 -43.4525 4.40267 GPRESSAVG: 1627400 4.93092 -12.826 -51.2652 -9.3457 -75.7385 -43.7403 -53.4787 -42.2438 3.14009 TIMING: 1627400 CPU: 5145.44, 0.00316798/step Wall: 5145.44, 0.00316798/step, 2.96787 hours remaining, 235.796875 MB of memory in use. ENERGY: 1627400 3999.7861 20319.5297 14523.3652 235.2463 -202985.4490 2540.3463 0.0000 0.0000 51838.7463 -109528.4290 297.9180 -161367.1753 -109164.8389 298.4554 -33.1364 -6.6809 762745.2895 -22.5122 -22.5558 PRESSURE: 1627600 100.373 109.151 5.16424 109.151 192.116 319.12 5.16482 319.119 -147.482 GPRESSURE: 1627600 122.504 91.5677 -129.086 110.138 221.559 357.61 100.315 249.873 -114.514 PRESSAVG: 1627600 -12.8914 -36.3303 -1.36191 -36.3304 -1.31988 -50.5372 -1.36192 -50.5372 10.8451 GPRESSAVG: 1627600 -12.435 -33.7899 -1.71102 -36.4087 -2.46749 -51.0474 0.446159 -50.4051 11.4579 TIMING: 1627600 CPU: 5146.07, 0.00315573/step Wall: 5146.07, 0.00315573/step, 2.95622 hours remaining, 235.796875 MB of memory in use. ENERGY: 1627600 3996.2670 20472.4715 14529.9686 248.2548 -203515.7598 2729.1478 0.0000 0.0000 51946.7621 -109592.8880 298.5388 -161539.6502 -109238.9420 298.5274 48.3357 76.5164 761814.7527 -1.1221 -1.1482 PRESSURE: 1627800 304.99 46.0876 -7.46657 46.087 61.8456 331.261 -7.46648 331.26 -8.67296 GPRESSURE: 1627800 314.13 31.353 -3.34596 29.6684 35.4394 387.195 -83.2486 220.861 94.2625 PRESSAVG: 1627800 -29.0971 38.9745 -26.515 38.9745 24.8247 -24.6466 -26.515 -24.6466 13.1369 GPRESSAVG: 1627800 -29.8927 38.9661 -28.3446 38.4459 25.6671 -23.5827 -24.6391 -25.5321 13.4467 TIMING: 1627800 CPU: 5146.7, 0.00315323/step Wall: 5146.7, 0.00315323/step, 2.9537 hours remaining, 235.796875 MB of memory in use. ENERGY: 1627800 3964.3401 20400.4546 14509.7381 252.0278 -203519.0728 2690.4826 0.0000 0.0000 52155.9824 -109546.0472 299.7411 -161702.0296 -109178.3148 298.5389 119.3874 147.9440 761403.5407 2.9548 3.0737 PRESSURE: 1628000 231.094 -93.0247 -200.485 -93.0245 -45.4203 81.8549 -200.486 81.8546 255.079 GPRESSURE: 1628000 267.176 -36.771 -214.579 -93.147 -10.1759 121.515 -170.869 97.4792 282.754 PRESSAVG: 1628000 -8.28572 -23.7228 -44.6791 -23.7229 -32.2937 25.6856 -44.6791 25.6857 -5.05877 GPRESSAVG: 1628000 -8.09288 -22.18 -42.6261 -26.1887 -32.0764 25.2293 -45.3933 23.0562 -5.0741 TIMING: 1628000 CPU: 5147.34, 0.00315537/step Wall: 5147.34, 0.00315537/step, 2.95553 hours remaining, 235.796875 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: 1628000 3999.7469 20430.0369 14542.1050 246.3471 -203505.9978 2778.3488 0.0000 0.0000 52131.9165 -109377.4967 299.6028 -161509.4131 -109018.1285 298.7239 146.9175 179.9179 761098.3613 -15.2127 -15.0811 PRESSURE: 1628200 -109.79 184.214 -104.112 184.213 -223.783 -1.06527 -104.112 -1.06476 -35.6003 GPRESSURE: 1628200 4.7802 184.189 -113.02 49.008 -243.682 17.602 -92.9438 47.7625 -41.3685 PRESSAVG: 1628200 61.4636 -25.066 17.1309 -25.066 -2.20563 -43.0903 17.1309 -43.0903 -18.8468 GPRESSAVG: 1628200 60.8002 -24.5694 16.2715 -25.3882 -1.66975 -41.3715 17.2413 -40.9243 -19.0264 TIMING: 1628200 CPU: 5147.97, 0.00316831/step Wall: 5147.97, 0.00316831/step, 2.96748 hours remaining, 235.796875 MB of memory in use. ENERGY: 1628200 3971.9877 20567.5669 14554.3168 236.4156 -203299.3909 2661.3401 0.0000 0.0000 51963.8509 -109343.9128 298.6370 -161307.7637 -108992.3869 299.1920 -123.0578 -93.4235 761587.7238 13.4704 13.3680 LDB: ============= START OF LOAD BALANCING ============== 5160.5 LDB: ============== END OF LOAD BALANCING =============== 5160.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5160.51 LDB: ============= START OF LOAD BALANCING ============== 5160.83 LDB: Largest compute 7037 load 0.032196 is 16.5% of average load 0.195419 LDB: Average compute 0.004401 is 2.3% of average load 0.195419 LDB: TIME 5160.83 LOAD: AVG 0.195419 MAX 0.220152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.391 MB LDB: TIME 5160.83 LOAD: AVG 0.195419 MAX 0.220152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: TIME 5160.83 LOAD: AVG 0.195419 MAX 0.214437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: ============== END OF LOAD BALANCING =============== 5160.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5160.84 PRESSURE: 1628400 -172.301 136.18 133.367 136.18 -265.842 -142.785 133.366 -142.785 -582.478 GPRESSURE: 1628400 -112.578 192.195 198.937 152.982 -291.654 -105.2 -12.9505 -91.3681 -537.029 PRESSAVG: 1628400 11.0994 54.5085 -34.582 54.5086 -35.4012 -38.2634 -34.5819 -38.2635 4.59758 GPRESSAVG: 1628400 13.0645 51.7893 -33.9047 57.0412 -36.3898 -39.9776 -33.4315 -36.9723 3.58185 TIMING: 1628400 CPU: 5148.62, 0.00327255/step Wall: 5148.62, 0.00327255/step, 3.06493 hours remaining, 234.878906 MB of memory in use. ENERGY: 1628400 4050.8659 20538.8578 14506.8736 246.9665 -203299.8129 2656.9315 0.0000 0.0000 52239.2758 -109060.0417 300.2198 -161299.3175 -108694.6279 299.8359 -340.2069 -313.7535 760833.8674 -6.5681 -6.5812 PRESSURE: 1628600 390.701 -141.051 226.368 -141.051 155.355 -26.1815 226.367 -26.1813 295.909 GPRESSURE: 1628600 286.006 -133.464 301.406 -97.6373 263.737 -90.5844 109.817 -63.8717 379.578 PRESSAVG: 1628600 67.1347 -1.35365 3.75952 -1.35366 -41.1715 -42.6423 3.75951 -42.6422 8.76182 GPRESSAVG: 1628600 64.4938 -1.51103 3.68176 0.0501505 -39.0103 -42.0631 1.25249 -43.4292 9.51344 TIMING: 1628600 CPU: 5149.26, 0.00316833/step Wall: 5149.26, 0.00316833/step, 2.96714 hours remaining, 234.878906 MB of memory in use. ENERGY: 1628600 3936.8440 20635.7510 14511.4102 241.8424 -203049.9156 2552.9419 0.0000 0.0000 52261.9261 -108909.2001 300.3500 -161171.1262 -108548.6629 299.9683 280.6551 309.7740 761392.1394 11.5750 11.6657 PRESSURE: 1628800 179.39 0.0396569 -8.41152 0.0395745 51.2087 -10.8666 -8.41256 -10.8672 -208.674 GPRESSURE: 1628800 183.439 35.7305 3.8167 -58.6024 146.456 -31.1022 144.595 -112.909 -240.606 PRESSAVG: 1628800 43.7576 -42.1362 57.5584 -42.1362 -44.5553 -53.3279 57.5585 -53.3278 5.36738 GPRESSAVG: 1628800 45.0638 -40.1685 56.5971 -44.7347 -45.2821 -52.7487 57.938 -54.8686 4.43826 TIMING: 1628800 CPU: 5149.9, 0.00319919/step Wall: 5149.9, 0.00319919/step, 2.99587 hours remaining, 234.878906 MB of memory in use. ENERGY: 1628800 3968.6416 20556.9803 14572.9099 251.6869 -203294.0816 2822.7664 0.0000 0.0000 52009.1706 -109111.9260 298.8974 -161121.0966 -108747.8244 299.8564 7.3084 29.7633 761968.4650 1.5232 1.4067 PRESSURE: 1629000 -76.1293 -55.4949 -340.416 -55.4947 -346.494 216.571 -340.416 216.571 -446.576 GPRESSURE: 1629000 -92.6807 67.2511 -278.628 -42.354 -192.685 271.829 -242.351 170.122 -461.628 PRESSAVG: 1629000 -1.5709 -94.2044 -45.5083 -94.2044 14.0132 -29.5719 -45.5083 -29.5718 -13.548 GPRESSAVG: 1629000 -1.17286 -96.363 -45.8973 -94.1856 13.12 -29.0947 -43.2178 -29.2989 -12.6063 TIMING: 1629000 CPU: 5150.54, 0.00319422/step Wall: 5150.54, 0.00319422/step, 2.99103 hours remaining, 234.878906 MB of memory in use. ENERGY: 1629000 4025.9600 20428.3661 14486.0959 262.1633 -202498.2000 2263.2224 0.0000 0.0000 52080.4880 -108951.9043 299.3073 -161032.3923 -108588.5468 299.5864 -289.7329 -248.9981 763276.3668 -0.3686 -0.2197 PRESSURE: 1629200 73.1103 -47.5299 122.016 -47.53 72.2891 63.872 122.015 63.8725 238.033 GPRESSURE: 1629200 37.9043 3.5412 156.991 15.0105 112.744 142.671 122.804 183.197 292.057 PRESSAVG: 1629200 11.2318 -53.249 -74.5859 -53.249 -14.4422 -3.83296 -74.586 -3.83298 0.494689 GPRESSAVG: 1629200 11.359 -52.7853 -73.6126 -51.8868 -14.3157 -5.52959 -75.2884 -4.24394 0.34098 TIMING: 1629200 CPU: 5151.17, 0.00318519/step Wall: 5151.17, 0.00318519/step, 2.9824 hours remaining, 235.082031 MB of memory in use. ENERGY: 1629200 3939.2776 20678.5974 14542.4458 247.1871 -202795.5669 2499.3901 0.0000 0.0000 51910.1609 -108978.5081 298.3284 -160888.6690 -108627.4207 299.7828 127.8107 147.5685 762837.2794 -0.9052 -0.8719 PRESSURE: 1629400 -118.886 -206.327 -147.629 -206.327 -12.8416 126.403 -147.63 126.403 40.3525 GPRESSURE: 1629400 -21.9054 -90.6828 -249.32 -215.879 -111.727 31.1534 -76.5625 60.1202 94.3924 PRESSAVG: 1629400 19.5641 -50.0968 1.85276 -50.0967 24.4304 60.4482 1.85277 60.4481 -2.40655 GPRESSAVG: 1629400 19.5186 -47.6601 0.687268 -50.4629 24.7517 61.1748 1.90565 59.8784 -2.57741 TIMING: 1629400 CPU: 5151.81, 0.00318977/step Wall: 5151.81, 0.00318977/step, 2.98651 hours remaining, 235.082031 MB of memory in use. ENERGY: 1629400 3955.8395 20629.1568 14535.7824 251.6860 -203112.1659 2551.2854 0.0000 0.0000 52199.3648 -108989.0510 299.9905 -161188.4159 -108622.7514 300.3159 -30.4582 -13.0799 761608.4774 13.8627 13.8976 PRESSURE: 1629600 13.1136 -2.86711 72.5616 -2.86653 -273.998 -106.541 72.5619 -106.54 -59.3729 GPRESSURE: 1629600 -0.456217 -20.7884 44.1428 12.0789 -243.528 -82.1419 53.6684 -54.098 4.09275 PRESSAVG: 1629600 48.8861 -30.529 -15.7933 -30.529 -89.5008 -50.6188 -15.7934 -50.6188 -6.33284 GPRESSAVG: 1629600 49.5978 -31.2515 -14.5219 -31.4133 -89.758 -51.4435 -15.4696 -48.2555 -7.63978 TIMING: 1629600 CPU: 5152.45, 0.00318699/step Wall: 5152.45, 0.00318699/step, 2.98373 hours remaining, 235.082031 MB of memory in use. ENERGY: 1629600 3947.3518 20570.9756 14518.0781 249.5466 -203373.0524 2736.7386 0.0000 0.0000 52323.6662 -109026.6954 300.7048 -161350.3617 -108665.5770 299.8370 -106.7525 -79.9639 763071.1803 -15.6492 -15.9333 PRESSURE: 1629800 -55.2305 -21.7318 -179.276 -21.7312 -149.646 269.872 -179.276 269.872 -34.9845 GPRESSURE: 1629800 -45.1508 -32.816 -144.715 -6.1208 -40.2083 273.168 -2.84127 217.285 -61.6349 PRESSAVG: 1629800 39.9477 -63.237 -38.7508 -63.237 -2.45376 22.42 -38.7509 22.4199 -1.63915 GPRESSAVG: 1629800 38.6783 -65.3889 -39.3665 -61.2158 -2.76631 22.3944 -37.9075 22.7011 -0.631136 TIMING: 1629800 CPU: 5153.09, 0.00319368/step Wall: 5153.09, 0.00319368/step, 2.98982 hours remaining, 235.082031 MB of memory in use. ENERGY: 1629800 3965.1029 20488.8220 14544.9517 271.7367 -203478.2255 2750.5994 0.0000 0.0000 52189.3300 -109267.6828 299.9328 -161457.0128 -108903.3487 300.0610 -79.9536 -48.9980 762374.4966 11.9516 11.7603 PRESSURE: 1630000 597.947 22.3025 380.772 22.3016 313.59 -190.422 380.771 -190.423 3.18189 GPRESSURE: 1630000 681.449 58.5602 427.61 29.5483 215.473 -177.472 407.571 -198.207 77.1764 PRESSAVG: 1630000 68.0662 -51.9004 -31.4974 -51.9004 -74.4994 -39.5828 -31.4975 -39.5829 25.0147 GPRESSAVG: 1630000 67.9347 -51.1008 -29.6698 -53.2717 -74.6372 -39.4186 -32.7102 -40.435 24.7467 TIMING: 1630000 CPU: 5153.72, 0.00317416/step Wall: 5153.72, 0.00317416/step, 2.97137 hours remaining, 235.082031 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: 1630000 3869.2962 20649.1659 14480.5845 249.6906 -203487.6632 2780.8050 0.0000 0.0000 52156.1799 -109301.9412 299.7423 -161458.1211 -108952.7472 299.6900 304.9062 324.6994 761555.3120 6.1938 6.0148 PRESSURE: 1630200 -277.665 -200.053 -16.7499 -200.053 -229.197 -26.7296 -16.7493 -26.7292 -198.617 GPRESSURE: 1630200 -195.849 -136.268 1.59248 -91.4902 -200.226 5.58612 -54.9219 -12.4094 -226.341 PRESSAVG: 1630200 20.8519 -9.43112 2.36416 -9.43114 -28.1177 -1.62579 2.36412 -1.62571 -31.5248 GPRESSAVG: 1630200 21.2949 -8.24765 1.16582 -10.2466 -26.7995 -1.56504 2.98771 -0.32962 -32.5221 TIMING: 1630200 CPU: 5154.36, 0.00316899/step Wall: 5154.36, 0.00316899/step, 2.96635 hours remaining, 235.082031 MB of memory in use. ENERGY: 1630200 3944.2148 20280.5359 14571.5513 241.5169 -203007.6385 2456.7819 0.0000 0.0000 52266.8517 -109246.1860 300.3783 -161513.0377 -108868.2091 299.3017 -235.1599 -207.4718 762495.6871 -12.9302 -12.6756 PRESSURE: 1630400 209.822 -117.14 -167.03 -117.141 -134.065 -98.7497 -167.03 -98.749 44.687 GPRESSURE: 1630400 149.512 -72.4589 -146.463 -42.1345 -34.2054 -72.9077 -149.239 -100.534 97.3733 PRESSAVG: 1630400 13.1324 -42.215 -30.4796 -42.215 1.15872 -51.4036 -30.4796 -51.4035 -36.8747 GPRESSAVG: 1630400 12.8851 -44.6319 -30.7828 -39.4047 0.408321 -50.6705 -31.075 -51.8755 -35.8229 TIMING: 1630400 CPU: 5154.99, 0.00315876/step Wall: 5154.99, 0.00315876/step, 2.9566 hours remaining, 235.082031 MB of memory in use. ENERGY: 1630400 3932.7904 20596.8925 14550.2796 240.0723 -203326.6415 2778.3631 0.0000 0.0000 52187.5748 -109040.6690 299.9227 -161228.2438 -108680.3602 299.7862 40.1479 70.8932 762264.4107 -7.5279 -7.5098 PRESSURE: 1630600 -69.5973 7.50226 194.019 7.50238 -291.409 -50.4526 194.018 -50.4523 250.358 GPRESSURE: 1630600 -12.8765 44.0117 223.796 -74.264 -164.255 27.8205 108.133 2.70372 165.499 PRESSAVG: 1630600 48.8643 3.0364 33.6869 3.03639 -65.0867 -4.81799 33.6869 -4.81797 17.7911 GPRESSAVG: 1630600 49.8001 2.13493 35.6923 1.35113 -66.03 -4.73218 32.7744 -6.72255 17.1912 TIMING: 1630600 CPU: 5155.62, 0.0031643/step Wall: 5155.62, 0.0031643/step, 2.96161 hours remaining, 235.082031 MB of memory in use. ENERGY: 1630600 3905.2022 20393.4467 14579.3424 251.0915 -202983.0521 2540.8932 0.0000 0.0000 52211.7652 -109101.3108 300.0617 -161313.0760 -108731.5884 299.8431 -36.8825 -3.8776 761863.4953 0.5229 0.3205 PRESSURE: 1630800 207.34 -228.826 235.34 -228.826 -255.549 -240.901 235.34 -240.901 -362.494 GPRESSURE: 1630800 245.578 -178.113 229.757 -56.9563 -256.57 -263.18 259.221 -126.138 -303.246 PRESSAVG: 1630800 36.0902 23.1585 -22.0367 23.1585 -33.7988 -9.42636 -22.0368 -9.4263 4.37011 GPRESSAVG: 1630800 34.7515 23.7764 -21.9227 23.0109 -34.2178 -10.3289 -19.7558 -7.39218 6.46421 TIMING: 1630800 CPU: 5156.26, 0.00318385/step Wall: 5156.26, 0.00318385/step, 2.97973 hours remaining, 235.082031 MB of memory in use. ENERGY: 1630800 3954.3263 20525.3650 14515.3382 252.7249 -202975.2869 2459.3839 0.0000 0.0000 52251.2032 -109016.9454 300.2884 -161268.1486 -108655.2194 299.9621 -136.9010 -104.7457 760661.9274 2.2205 2.3326 PRESSURE: 1631000 61.078 206.941 -6.46969 206.941 -113.094 192.624 -6.46948 192.622 178.264 GPRESSURE: 1631000 43.1761 120.266 18.377 214.702 -39.3833 265.68 -50.6905 109.428 183.849 PRESSAVG: 1631000 -1.88439 -16.7015 -60.5534 -16.7014 -1.15878 -1.8094 -60.5533 -1.80947 -18.1969 GPRESSAVG: 1631000 -1.99756 -17.9791 -60.2124 -15.781 0.146055 -0.873879 -63.3932 -3.02483 -19.7278 TIMING: 1631000 CPU: 5156.89, 0.00317708/step Wall: 5156.89, 0.00317708/step, 2.97322 hours remaining, 235.082031 MB of memory in use. ENERGY: 1631000 3958.3999 20593.8141 14570.5079 266.5864 -202841.3029 2536.7255 0.0000 0.0000 51849.1563 -109066.1128 297.9778 -160915.2692 -108704.1201 299.8323 42.0826 62.5473 763204.0840 -7.0800 -7.1931 PRESSURE: 1631200 71.8325 24.9832 -202.937 24.9826 306.691 -24.1195 -202.936 -24.1186 -160.45 GPRESSURE: 1631200 62.3174 9.17525 -175.842 -110.997 381.831 -0.946622 -231.965 41.3373 -143.063 PRESSAVG: 1631200 -1.42553 -4.28182 4.873 -4.28183 -28.1362 15.0479 4.87298 15.0479 -2.84291 GPRESSAVG: 1631200 -2.09088 -3.14177 2.70958 -4.5654 -27.5222 13.7441 8.24389 14.4729 -2.81988 TIMING: 1631200 CPU: 5157.53, 0.00316742/step Wall: 5157.53, 0.00316742/step, 2.96401 hours remaining, 235.082031 MB of memory in use. ENERGY: 1631200 3929.3708 20578.8958 14581.4090 249.0815 -203150.1055 2656.4465 0.0000 0.0000 52115.0491 -109039.8528 299.5059 -161154.9020 -108674.8293 299.7442 72.6912 100.3617 762762.0786 -10.8016 -10.8110 PRESSURE: 1631400 -44.0171 -205.744 75.0579 -205.744 -143.609 -200.954 75.0578 -200.954 155.079 GPRESSURE: 1631400 -33.29 -221.332 65.9084 -203.735 -34.0136 -146.566 34.6648 -152.342 106.559 PRESSAVG: 1631400 41.4335 -16.3852 -25.6401 -16.3852 -44.5487 16.8434 -25.64 16.8435 -14.034 GPRESSAVG: 1631400 42.3124 -16.0823 -25.6948 -15.3006 -45.3902 18.3062 -26.7345 16.632 -14.3204 TIMING: 1631400 CPU: 5158.16, 0.00315535/step Wall: 5158.16, 0.00315535/step, 2.95253 hours remaining, 235.082031 MB of memory in use. ENERGY: 1631400 3955.6420 20462.9200 14467.0436 257.1073 -203350.1008 2770.1608 0.0000 0.0000 52238.2148 -109199.0122 300.2137 -161437.2270 -108837.8541 299.4902 -10.8489 13.0851 762819.7667 -5.7164 -5.7994 PRESSURE: 1631600 81.3483 194.708 -59.0634 194.708 -401.217 52.3954 -59.0646 52.394 39.9096 GPRESSURE: 1631600 21.1878 229.096 -19.9954 243.116 -260.518 64.8379 35.7867 138.493 58.0796 PRESSAVG: 1631600 25.9444 -55.4906 7.63204 -55.4906 -27.135 18.8204 7.63202 18.8204 0.615995 GPRESSAVG: 1631600 26.7716 -55.2041 6.21103 -55.0542 -28.055 16.8582 8.34339 21.0851 0.946965 TIMING: 1631600 CPU: 5158.79, 0.00317616/step Wall: 5158.79, 0.00317616/step, 2.97183 hours remaining, 235.082031 MB of memory in use. ENERGY: 1631600 4041.7243 20520.3780 14536.5952 236.9606 -203029.6324 2491.1045 0.0000 0.0000 51857.1720 -109345.6978 298.0239 -161202.8698 -108995.9893 299.2817 -93.3197 -60.4170 763835.2608 -0.1915 -0.1121 PRESSURE: 1631800 -262.404 -258.323 155.72 -258.323 -237.799 19.2503 155.719 19.2502 -307.514 GPRESSURE: 1631800 -159.176 -364.093 132.537 -220.785 -227.669 55.5 278.203 92.8353 -330.015 PRESSAVG: 1631800 62.3867 -7.25414 24.0572 -7.25409 -40.0141 17.7901 24.0572 17.7901 -6.25309 GPRESSAVG: 1631800 62.1993 -9.45477 26.581 -6.38653 -39.6547 17.9092 21.414 16.486 -5.88562 TIMING: 1631800 CPU: 5159.42, 0.00313835/step Wall: 5159.42, 0.00313835/step, 2.93628 hours remaining, 235.082031 MB of memory in use. ENERGY: 1631800 4048.9309 20394.3289 14504.0194 233.5155 -203177.0831 2791.6176 0.0000 0.0000 51872.2641 -109332.4067 298.1106 -161204.6708 -108964.7488 298.6854 -269.2390 -238.9533 763485.6078 5.3732 5.5530 PRESSURE: 1632000 81.766 -34.5594 59.8036 -34.5595 -125.817 38.1489 59.8036 38.1501 1.893 GPRESSURE: 1632000 126.054 -127.742 39.4585 6.86052 -113.228 -11.1557 37.9113 7.95194 47.336 PRESSAVG: 1632000 82.3525 -79.4342 -20.4559 -79.4342 -56.2157 4.45547 -20.4559 4.45556 -13.7209 GPRESSAVG: 1632000 82.0612 -76.975 -21.3799 -81.4803 -55.2149 4.19539 -18.7334 4.79144 -14.4305 TIMING: 1632000 CPU: 5160.05, 0.00313518/step Wall: 5160.05, 0.00313517/step, 2.93313 hours remaining, 235.082031 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: 1632000 4033.4086 20410.3350 14442.0697 263.0358 -203601.3229 2931.6017 0.0000 0.0000 52272.0561 -109248.8159 300.4082 -161520.8720 -108892.5762 299.1968 -14.0528 20.0543 763233.6833 4.1386 4.1386 PRESSURE: 1632200 24.664 148.226 -137.199 148.225 144.916 206.089 -137.199 206.089 -164.101 GPRESSURE: 1632200 -33.3081 133.303 -125.426 109.904 146.47 228.45 -147.833 106.705 -45.2962 PRESSAVG: 1632200 46.6796 -23.2538 33.5353 -23.2538 -22.3733 60.3194 33.5354 60.3193 -11.4906 GPRESSAVG: 1632200 46.5796 -22.8616 33.5801 -24.6854 -23.9677 60.5544 34.8167 59.7018 -10.377 TIMING: 1632200 CPU: 5160.68, 0.00315156/step Wall: 5160.68, 0.00315156/step, 2.94829 hours remaining, 235.082031 MB of memory in use. ENERGY: 1632200 4029.6499 20694.2665 14492.7515 234.7358 -202985.9463 2423.7896 0.0000 0.0000 51884.7365 -109226.0164 298.1823 -161110.7530 -108881.9979 299.3082 1.8262 22.6220 761827.3527 4.2719 4.0783 LDB: ============= START OF LOAD BALANCING ============== 5173.21 LDB: ============== END OF LOAD BALANCING =============== 5173.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5173.21 LDB: ============= START OF LOAD BALANCING ============== 5173.53 LDB: Largest compute 7053 load 0.029587 is 15.1% of average load 0.195356 LDB: Average compute 0.004399 is 2.3% of average load 0.195356 LDB: TIME 5173.53 LOAD: AVG 0.195356 MAX 0.21637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.16 MB LDB: TIME 5173.53 LOAD: AVG 0.195356 MAX 0.21637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.16 MB LDB: TIME 5173.53 LOAD: AVG 0.195356 MAX 0.21637 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.16 MB LDB: ============== END OF LOAD BALANCING =============== 5173.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5173.54 PRESSURE: 1632400 131.756 105.483 79.1691 105.483 -209.015 -2.87583 79.1691 -2.87575 -326.36 GPRESSURE: 1632400 140.267 121.883 195.677 226.293 -161.598 27.6805 -66.6492 6.13967 -318.836 PRESSAVG: 1632400 11.2478 14.3633 -33.2407 14.3633 -31.7034 45.2019 -33.2406 45.2019 -15.9734 GPRESSAVG: 1632400 11.6479 13.6954 -32.2526 17.8725 -30.7381 44.6014 -36.3874 45.1936 -17.4584 TIMING: 1632400 CPU: 5161.32, 0.00323724/step Wall: 5161.32, 0.00323724/step, 3.02826 hours remaining, 235.445312 MB of memory in use. ENERGY: 1632400 3970.2092 20601.4988 14559.1524 241.1169 -203073.6918 2509.2324 0.0000 0.0000 52060.2106 -109132.2715 299.1907 -161192.4820 -108760.6925 299.2655 -134.5398 -113.3888 762514.8196 -12.1430 -12.1829 PRESSURE: 1632600 -65.8689 69.5916 -202.632 69.5905 -343.596 47.7149 -202.633 47.7152 -176.644 GPRESSURE: 1632600 -24.0323 52.9435 -192.196 13.4482 -381.477 -3.65219 -137.284 86.9629 -95.3144 PRESSAVG: 1632600 107.894 -6.3765 -11.792 -6.37652 -76.5189 -15.9312 -11.792 -15.9311 -7.16409 GPRESSAVG: 1632600 107.922 -6.25542 -11.7498 -9.71958 -76.812 -14.9233 -11.9046 -16.771 -6.63176 TIMING: 1632600 CPU: 5161.96, 0.00316994/step Wall: 5161.96, 0.00316994/step, 2.96513 hours remaining, 235.445312 MB of memory in use. ENERGY: 1632600 4033.0780 20656.8513 14460.5734 230.2711 -203266.0362 2679.1852 0.0000 0.0000 52212.8739 -108993.2032 300.0681 -161206.0771 -108633.5591 299.7471 -195.3696 -166.9413 762715.3091 8.0703 8.1595 PRESSURE: 1632800 -8.84264 -42.526 -177.833 -42.5261 -259.238 -18.5689 -177.833 -18.5687 -122.614 GPRESSURE: 1632800 -17.7288 -56.7977 -94.2376 35.7531 -150.17 36.4366 -91.112 48.3474 -123.967 PRESSAVG: 1632800 46.6387 14.199 32.36 14.199 -52.1482 10.7478 32.36 10.7478 22.5821 GPRESSAVG: 1632800 46.506 12.6952 33.6767 15.645 -52.9659 10.0755 35.7624 12.3949 23.376 TIMING: 1632800 CPU: 5162.59, 0.00315567/step Wall: 5162.59, 0.00315567/step, 2.95161 hours remaining, 235.648438 MB of memory in use. ENERGY: 1632800 3964.6637 20571.6716 14535.3500 251.3640 -203022.8678 2443.6373 0.0000 0.0000 52111.4415 -109144.7396 299.4852 -161256.1811 -108774.7634 299.8321 -130.2316 -97.2885 762455.3078 5.6909 5.6387 PRESSURE: 1633000 -27.4053 38.1833 372.086 38.1824 -51.9058 -282.368 372.086 -282.37 -585.545 GPRESSURE: 1633000 -28.2915 60.5875 310.31 43.0859 -24.3393 -189.615 336.314 -166.551 -525.197 PRESSAVG: 1633000 3.23648 22.343 14.0812 22.343 13.0001 -19.3339 14.0811 -19.3339 -19.6679 GPRESSAVG: 1633000 3.22068 24.7032 13.1269 23.5018 14.0103 -19.231 10.8155 -18.4759 -20.6223 TIMING: 1633000 CPU: 5163.22, 0.00315049/step Wall: 5163.22, 0.00315049/step, 2.94658 hours remaining, 235.648438 MB of memory in use. ENERGY: 1633000 4010.7203 20495.6730 14534.2565 269.7037 -203082.1026 2448.3877 0.0000 0.0000 52212.7924 -109110.5690 300.0676 -161323.3615 -108743.4703 299.4045 -221.6186 -192.6093 762538.2250 -1.1438 -1.1304 PRESSURE: 1633200 196.199 -53.7724 61.8359 -53.7719 -17.6192 -119.023 61.8357 -119.023 3.4337 GPRESSURE: 1633200 291.57 -27.2854 94.2962 -80.156 -58.7624 -82.5489 124.749 -136.958 22.7355 PRESSAVG: 1633200 22.1966 3.07141 41.4115 3.07133 -37.5899 44.3539 41.4115 44.3538 -25.7836 GPRESSAVG: 1633200 23.0659 2.45947 40.5249 2.70954 -38.7595 45.5116 43.697 43.0763 -25.1032 TIMING: 1633200 CPU: 5163.85, 0.00315324/step Wall: 5163.85, 0.00315324/step, 2.94898 hours remaining, 235.851562 MB of memory in use. ENERGY: 1633200 3973.7481 20495.9140 14568.9491 230.1396 -203440.1464 2783.6339 0.0000 0.0000 52325.2981 -109062.4637 300.7142 -161387.7618 -108708.6930 299.3095 60.6711 85.1809 763991.1852 -13.7256 -13.5989 PRESSURE: 1633400 337.694 -362.185 18.7525 -362.185 -32.5758 71.7413 18.7526 71.74 64.8299 GPRESSURE: 1633400 356.15 -316.234 39.3873 -429.069 28.3129 -3.9116 11.5003 92.6528 84.1781 PRESSAVG: 1633400 50.8567 -79.8563 -5.55736 -79.8563 -26.0603 -22.3114 -5.55738 -22.3114 9.31818 GPRESSAVG: 1633400 50.5478 -79.9001 -4.8218 -81.2344 -25.2189 -23.0545 -7.4589 -23.0577 8.80942 TIMING: 1633400 CPU: 5164.48, 0.00314622/step Wall: 5164.48, 0.00314622/step, 2.94224 hours remaining, 235.851562 MB of memory in use. ENERGY: 1633400 3983.2563 20489.0924 14522.2468 266.5863 -203081.4025 2778.3138 0.0000 0.0000 51960.5854 -109081.3215 298.6182 -161041.9070 -108720.1617 299.6365 123.3160 156.2138 762354.0003 11.3715 11.3794 PRESSURE: 1633600 130.449 65.3988 -138.426 65.399 -67.9837 -79.2429 -138.425 -79.2421 -164.173 GPRESSURE: 1633600 191.951 170.968 -179.473 112.871 -15.0846 -23.3 -28.8812 3.68553 -189.74 PRESSAVG: 1633600 -3.93599 -77.2053 1.93561 -77.2054 -62.2667 -15.7895 1.93569 -15.7894 12.6922 GPRESSAVG: 1633600 -3.83986 -77.4455 1.5955 -76.4477 -62.2541 -16.376 4.38379 -15.5665 11.7596 TIMING: 1633600 CPU: 5165.11, 0.00314542/step Wall: 5165.11, 0.00314542/step, 2.94132 hours remaining, 236.054688 MB of memory in use. ENERGY: 1633600 3998.6115 20387.6435 14539.0515 255.1191 -203158.7204 2665.7121 0.0000 0.0000 52203.9765 -109108.6062 300.0170 -161312.5827 -108729.8036 299.1896 -33.9026 -4.2913 761811.8908 -17.8368 -18.1115 PRESSURE: 1633800 78.9526 -36.7142 -148.739 -36.7144 317.524 -195.737 -148.74 -195.738 264.645 GPRESSURE: 1633800 154.433 43.4288 -109.695 9.537 311.556 -221.999 -118.678 -214.283 287.793 PRESSAVG: 1633800 30.0108 -20.072 27.6468 -20.072 -11.5839 8.8153 27.6468 8.81525 -39.2794 GPRESSAVG: 1633800 29.9435 -19.4492 28.577 -18.4895 -11.2882 8.79405 25.6664 9.52738 -39.2374 TIMING: 1633800 CPU: 5165.73, 0.00312606/step Wall: 5165.73, 0.00312606/step, 2.92304 hours remaining, 236.054688 MB of memory in use. ENERGY: 1633800 4010.4391 20366.3585 14552.2704 256.5852 -203275.0253 2748.5096 0.0000 0.0000 52124.5124 -109216.3500 299.5603 -161340.8624 -108852.5204 299.5536 220.3739 251.2607 762944.2074 -6.9508 -6.8607 PRESSURE: 1634000 -274.058 -44.0229 177.61 -44.0231 -158.312 43.7906 177.61 43.7911 -348.622 GPRESSURE: 1634000 -193.028 -40.9598 192.917 11.0057 -166.083 0.0518607 178.097 94.1368 -330.022 PRESSAVG: 1634000 -20.8582 -32.7195 6.26513 -32.7195 24.0303 -14.7862 6.26517 -14.7862 29.988 GPRESSAVG: 1634000 -20.3599 -30.4271 6.00777 -34.2031 23.1615 -15.5002 7.58268 -15.1906 30.1761 TIMING: 1634000 CPU: 5166.36, 0.00315164/step Wall: 5166.36, 0.00315164/step, 2.94679 hours remaining, 236.054688 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: 1634000 3981.4007 20429.1896 14502.9437 238.1430 -203201.6712 2687.7467 0.0000 0.0000 51929.2329 -109433.0145 298.4380 -161362.2475 -109073.8671 298.9198 -260.3306 -229.7111 763405.6432 11.0534 10.9926 PRESSURE: 1634200 73.7393 -93.2226 53.7628 -93.2227 -190.149 -64.4929 53.7631 -64.494 142.595 GPRESSURE: 1634200 56.0722 -171.978 64.6979 -96.7551 -85.9255 -118.44 36.4929 -71.4729 143.667 PRESSAVG: 1634200 42.4323 -29.766 12.052 -29.766 -11.2755 30.2528 12.0519 30.2528 6.87224 GPRESSAVG: 1634200 42.2207 -31.7938 12.2497 -30.6394 -10.9614 32.0007 12.4657 30.88 6.99508 TIMING: 1634200 CPU: 5166.99, 0.00313029/step Wall: 5166.99, 0.00313029/step, 2.92665 hours remaining, 236.054688 MB of memory in use. ENERGY: 1634200 3990.7267 20391.3012 14544.4979 246.7843 -202809.4076 2317.7611 0.0000 0.0000 51914.7732 -109403.5632 298.3549 -161318.3365 -109037.6648 298.8304 8.7286 37.9379 762343.9176 12.6764 12.7515 PRESSURE: 1634400 -13.7407 31.49 -237.609 31.4895 -263.315 244.639 -237.608 244.639 -455.88 GPRESSURE: 1634400 -54.6191 -186.404 -215.454 51.5467 -190.592 249.22 -213.373 167.55 -413.527 PRESSAVG: 1634400 38.7362 1.08386 68.4308 1.08386 -91.2504 34.5959 68.4309 34.5959 8.80599 GPRESSAVG: 1634400 37.2728 -0.431795 66.9105 3.08151 -89.9281 34.2541 68.9907 34.8316 8.76472 TIMING: 1634400 CPU: 5167.62, 0.00315026/step Wall: 5167.62, 0.00315026/step, 2.94514 hours remaining, 236.058594 MB of memory in use. ENERGY: 1634400 3991.9138 20574.3943 14585.0350 252.7063 -203563.7423 2766.0318 0.0000 0.0000 52058.3395 -109335.3216 299.1800 -161393.6611 -108969.1325 298.4718 -244.3120 -219.5795 762810.2802 -14.5694 -14.6302 PRESSURE: 1634600 452.105 143.755 -59.9509 143.755 134.973 -229.234 -59.9519 -229.235 282.425 GPRESSURE: 1634600 439.13 176.756 114.614 7.81133 224.999 -301.759 -58.001 44.6924 294.236 PRESSAVG: 1634600 -8.79819 32.7151 56.8484 32.7151 3.45344 -46.747 56.8485 -46.7471 -4.70898 GPRESSAVG: 1634600 -8.20949 32.8825 58.7071 30.4115 2.76226 -47.442 55.4908 -47.8553 -4.725 TIMING: 1634600 CPU: 5168.25, 0.00316735/step Wall: 5168.25, 0.00316735/step, 2.96095 hours remaining, 236.058594 MB of memory in use. ENERGY: 1634600 3930.0388 20692.9257 14555.2698 247.9677 -203800.5615 2904.9480 0.0000 0.0000 52057.8058 -109411.6058 299.1769 -161469.4116 -109051.3032 299.4546 289.8341 319.4551 759806.2437 -3.3512 -3.3907 PRESSURE: 1634800 256.043 -71.959 -57.1182 -71.9581 139.046 128.466 -57.1179 128.466 -33.7762 GPRESSURE: 1634800 285.444 -69.7178 -42.9778 -98.9591 170.47 116.402 -11.1373 7.84606 -21.7201 PRESSAVG: 1634800 48.8502 -29.1322 8.31898 -29.1322 -14.0862 -12.7421 8.31893 -12.742 14.242 GPRESSAVG: 1634800 49.9111 -29.3388 8.63114 -29.2737 -15.2192 -11.9347 7.21015 -12.9852 14.2433 TIMING: 1634800 CPU: 5168.89, 0.00316348/step Wall: 5168.89, 0.00316348/step, 2.95715 hours remaining, 236.058594 MB of memory in use. ENERGY: 1634800 4073.3263 20492.6920 14535.8860 248.9603 -203764.4178 2877.9908 0.0000 0.0000 52099.1634 -109436.3991 299.4146 -161535.5625 -109080.3226 299.4360 120.4374 144.7313 761588.3955 16.3353 16.3117 PRESSURE: 1635000 -93.879 119.111 243.18 119.111 -89.1479 -136.834 243.179 -136.833 -283.482 GPRESSURE: 1635000 -65.6984 29.0735 170.396 118.133 -40.6719 -136.438 207.245 -64.0943 -264.277 PRESSAVG: 1635000 -26.0098 -37.5872 74.0328 -37.5873 34.1913 -31.5869 74.0329 -31.587 15.7055 GPRESSAVG: 1635000 -25.5421 -36.2332 72.6727 -38.9056 34.6773 -30.7467 76.7387 -32.2635 15.0359 TIMING: 1635000 CPU: 5169.52, 0.00317554/step Wall: 5169.52, 0.00317554/step, 2.96825 hours remaining, 236.058594 MB of memory in use. ENERGY: 1635000 3973.0280 20390.7612 14596.1375 239.9540 -203427.5040 2803.6546 0.0000 0.0000 51888.4813 -109535.4874 298.2038 -161423.9687 -109177.8972 298.5760 -155.5030 -123.5492 762389.0897 7.9623 8.0571 PRESSURE: 1635200 3.46613 50.5319 201.572 50.5325 86.0728 133.955 201.571 133.955 294.084 GPRESSURE: 1635200 78.7818 91.4221 173.301 -14.6615 154.354 47.0927 108.315 133.28 240.411 PRESSAVG: 1635200 -4.62267 -38.8804 12.9518 -38.8805 -6.74802 -7.54136 12.9518 -7.54134 -5.34806 GPRESSAVG: 1635200 -5.67179 -39.6371 12.7183 -36.8545 -7.11168 -9.27131 9.51907 -5.75521 -3.78123 TIMING: 1635200 CPU: 5170.15, 0.00316381/step Wall: 5170.15, 0.00316381/step, 2.95711 hours remaining, 236.046875 MB of memory in use. ENERGY: 1635200 4025.0404 20551.2374 14522.6889 266.9246 -203620.5093 2764.3560 0.0000 0.0000 51949.2818 -109540.9802 298.5532 -161490.2621 -109184.7764 298.8533 127.8745 157.8490 761496.3086 -5.5729 -5.5216 PRESSURE: 1635400 -554.71 118.708 -297.205 118.707 126.313 -3.05123 -297.205 -3.05182 182.673 GPRESSURE: 1635400 -544.308 44.2515 -198.081 50.0712 174.983 -36.4805 -142.928 -42.6946 213.422 PRESSAVG: 1635400 -8.63025 -56.3884 31.8929 -56.3884 -5.14601 -9.23008 31.8929 -9.23003 23.9552 GPRESSAVG: 1635400 -8.0686 -55.3261 31.1355 -58.4162 -5.12149 -7.71564 34.3038 -9.47652 23.7015 TIMING: 1635400 CPU: 5170.78, 0.00314357/step Wall: 5170.78, 0.00314357/step, 2.93801 hours remaining, 236.046875 MB of memory in use. ENERGY: 1635400 4029.1377 20452.4445 14535.1791 241.6370 -203706.9297 2581.5691 0.0000 0.0000 52166.1065 -109700.8558 299.7993 -161866.9623 -109339.4813 298.5583 -81.9082 -51.9676 760219.0847 3.3930 3.5038 PRESSURE: 1635600 92.0422 -257.737 -54.1518 -257.736 168.601 -45.0015 -54.1513 -45.0015 274.021 GPRESSURE: 1635600 146.359 -277.385 -83.0759 -257.974 203.475 18.7451 -8.6885 -95.2951 269.502 PRESSAVG: 1635600 -44.5807 -8.65409 -1.97199 -8.65406 68.7223 25.3596 -1.97195 25.3596 -12.9065 GPRESSAVG: 1635600 -44.2538 -7.41233 -0.497069 -7.88384 68.6669 23.9352 -1.71465 25.2315 -13.3756 TIMING: 1635600 CPU: 5171.42, 0.00319413/step Wall: 5171.42, 0.00319413/step, 2.9851 hours remaining, 236.046875 MB of memory in use. ENERGY: 1635600 3957.1797 20432.0581 14465.7890 240.6982 -203662.6664 2853.4696 0.0000 0.0000 52035.2696 -109678.2022 299.0474 -161713.4718 -109329.6233 299.2184 178.2214 206.4452 761574.4548 3.7450 3.6792 PRESSURE: 1635800 55.9389 240.376 25.0655 240.375 -252.068 187.58 25.0647 187.58 -21.0471 GPRESSURE: 1635800 79.1201 279.429 61.8754 240.642 -220.68 288.039 -91.4731 82.1477 10.7934 PRESSAVG: 1635800 11.3664 -1.8793 -20.6356 -1.87925 -18.8129 -11.1434 -20.6357 -11.1434 2.00504 GPRESSAVG: 1635800 11.0333 -3.34404 -20.2265 -0.476206 -19.8787 -9.92618 -21.8366 -10.3459 2.58838 TIMING: 1635800 CPU: 5172.05, 0.00315144/step Wall: 5172.05, 0.00315144/step, 2.94502 hours remaining, 236.046875 MB of memory in use. ENERGY: 1635800 3997.7116 20552.4489 14474.4183 255.2118 -203328.9190 2630.3320 0.0000 0.0000 51796.0497 -109622.7466 297.6726 -161418.7963 -109260.5860 298.7767 -72.3922 -43.5889 761063.8894 -1.8138 -2.0857 PRESSURE: 1636000 181.025 8.05557 22.5631 8.05575 -70.613 -173.013 22.5632 -173.012 153.851 GPRESSURE: 1636000 206.02 39.6944 21.7623 -63.4896 -58.4872 -176.783 69.5074 -140.107 211.002 PRESSAVG: 1636000 63.8548 -24.2327 -12.0849 -24.2328 -41.0038 0.459817 -12.0848 0.459822 24.1804 GPRESSAVG: 1636000 64.1504 -23.7565 -12.1281 -24.5677 -40.8332 0.325204 -12.0644 0.19474 24.2762 TIMING: 1636000 CPU: 5172.68, 0.00314391/step Wall: 5172.68, 0.00314391/step, 2.93781 hours remaining, 236.046875 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: 1636000 3987.1806 20426.8898 14495.9639 246.6654 -203685.1106 2838.0679 0.0000 0.0000 52131.1703 -109559.1728 299.5986 -161690.3431 -109193.4456 298.5572 88.0876 119.5117 761518.4819 15.6772 15.8644 PRESSURE: 1636200 -64.1187 25.2795 6.70253 25.2801 361.774 -13.2397 6.70233 -13.2393 217.346 GPRESSURE: 1636200 4.88561 -60.7322 70.4227 15.3245 328.828 12.6158 13.4654 -60.7203 250.806 PRESSAVG: 1636200 10.7275 -15.6435 71.5611 -15.6435 9.59161 -38.6992 71.5611 -38.6993 6.90869 GPRESSAVG: 1636200 9.90927 -17.1666 71.198 -14.4163 11.5879 -39.3087 72.1644 -37.7358 6.26326 TIMING: 1636200 CPU: 5173.31, 0.00315661/step Wall: 5173.31, 0.00315661/step, 2.9495 hours remaining, 236.058594 MB of memory in use. ENERGY: 1636200 3994.0612 20601.8663 14505.7077 249.1033 -203707.5529 2690.5619 0.0000 0.0000 52116.6783 -109549.5742 299.5153 -161666.2525 -109193.7491 299.0382 171.6671 194.8399 759906.0615 9.0759 9.2535 LDB: ============= START OF LOAD BALANCING ============== 5185.84 LDB: ============== END OF LOAD BALANCING =============== 5185.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5185.84 LDB: ============= START OF LOAD BALANCING ============== 5186.16 LDB: Largest compute 7053 load 0.031395 is 16.1% of average load 0.195500 LDB: Average compute 0.004365 is 2.2% of average load 0.195500 LDB: TIME 5186.16 LOAD: AVG 0.1955 MAX 0.215768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.047 MB LDB: TIME 5186.16 LOAD: AVG 0.1955 MAX 0.215768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: TIME 5186.16 LOAD: AVG 0.1955 MAX 0.215768 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.047 MB LDB: ============== END OF LOAD BALANCING =============== 5186.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5186.17 PRESSURE: 1636400 -294.186 -78.0034 25.1447 -78.0033 -190.696 -56.911 25.1453 -56.9106 247.584 GPRESSURE: 1636400 -159.919 22.7437 -17.0295 -188.446 -159.307 -1.03721 10.7642 -45.9909 165.841 PRESSAVG: 1636400 12.6817 18.1589 58.198 18.1589 -26.5368 25.985 58.198 25.985 -3.55354 GPRESSAVG: 1636400 12.8187 20.4698 58.8558 15.631 -28.162 26.5669 56.8114 24.1124 -1.80057 TIMING: 1636400 CPU: 5173.95, 0.00321295/step Wall: 5173.95, 0.00321295/step, 3.00197 hours remaining, 236.292969 MB of memory in use. ENERGY: 1636400 4078.6080 20501.7652 14574.3576 236.4803 -203346.5061 2414.3322 0.0000 0.0000 52009.6709 -109531.2919 298.9003 -161540.9628 -109170.2299 299.3250 -79.0994 -51.1284 762569.5109 -5.8029 -5.7146 PRESSURE: 1636600 65.0468 -241.98 103.155 -241.98 -36.1882 -410.153 103.154 -410.153 66.143 GPRESSURE: 1636600 156.138 -145.038 160.155 -239.076 -15.9689 -470.465 80.9292 -343.618 50.8099 PRESSAVG: 1636600 11.8942 -36.9672 -1.96672 -36.9673 15.9431 -7.10371 -1.96676 -7.10383 11.4954 GPRESSAVG: 1636600 13.4878 -37.8575 -1.40698 -35.4844 16.2281 -7.9411 -0.814305 -6.59195 9.05621 TIMING: 1636600 CPU: 5174.59, 0.0031732/step Wall: 5174.59, 0.0031732/step, 2.96465 hours remaining, 236.437500 MB of memory in use. ENERGY: 1636600 3947.2160 20505.7088 14493.1604 250.3190 -203538.0167 2553.7262 0.0000 0.0000 52226.0060 -109561.8802 300.1436 -161787.8862 -109185.7869 299.2408 31.6672 63.6597 761178.1768 13.1109 12.9240 PRESSURE: 1636800 360.232 -9.44368 109.968 -9.44391 434.86 75.3512 109.968 75.3505 517.302 GPRESSURE: 1636800 380.153 -3.7094 -9.14623 39.7775 473.883 84.1214 94.1234 25.512 541.168 PRESSAVG: 1636800 -56.1665 -11.5831 75.4836 -11.583 78.5155 -28.863 75.4835 -28.863 2.58556 GPRESSAVG: 1636800 -56.3641 -12.5069 74.838 -11.136 78.1092 -28.3186 75.783 -28.0567 3.84896 TIMING: 1636800 CPU: 5175.22, 0.00316065/step Wall: 5175.22, 0.00316065/step, 2.95275 hours remaining, 236.437500 MB of memory in use. ENERGY: 1636800 3969.6314 20648.3335 14510.8104 256.2356 -203777.6710 2743.0942 0.0000 0.0000 52055.1870 -109594.3789 299.1619 -161649.5659 -109234.1620 299.0484 437.4646 465.0682 759814.3215 8.3115 8.5313 PRESSURE: 1637000 -308.445 -326.517 -207.452 -326.517 22.4548 -28.6615 -207.452 -28.6621 362.161 GPRESSURE: 1637000 -285.875 -193.587 -56.6398 -195.242 60.9742 -74.7168 -143.646 -11.2083 387.794 PRESSAVG: 1637000 -5.96327 -43.1686 -1.35539 -43.1686 43.3165 36.7979 -1.35545 36.798 17.6258 GPRESSAVG: 1637000 -6.71477 -42.6718 -2.32566 -44.6563 43.6292 36.2853 -1.82718 35.0752 18.1455 TIMING: 1637000 CPU: 5175.85, 0.00315837/step Wall: 5175.85, 0.00315837/step, 2.95044 hours remaining, 236.437500 MB of memory in use. ENERGY: 1637000 3974.8749 20693.5863 14450.9076 264.8989 -203804.5474 2792.2716 0.0000 0.0000 52084.1789 -109543.8292 299.3285 -161628.0081 -109177.1212 299.0909 25.3902 54.2978 760885.4849 18.3263 18.3533 PRESSURE: 1637200 127.307 135.921 -119.724 135.921 -67.2939 46.8138 -119.723 46.8136 25.4129 GPRESSURE: 1637200 147.72 147.259 -123.3 284.822 -66.4618 110.736 -183.306 -0.467609 77.0526 PRESSAVG: 1637200 -45.3184 -22.3122 -68.0288 -22.3122 83.356 -2.58337 -68.0288 -2.58337 6.54735 GPRESSAVG: 1637200 -46.7599 -23.0665 -68.9426 -20.6679 84.2332 -3.38153 -66.1819 0.282147 5.91481 TIMING: 1637200 CPU: 5176.49, 0.0031649/step Wall: 5176.49, 0.0031649/step, 2.95637 hours remaining, 236.437500 MB of memory in use. ENERGY: 1637200 3946.0039 20580.8226 14485.7318 232.5672 -203642.8389 2816.2755 0.0000 0.0000 52150.9365 -109430.5015 299.7121 -161581.4379 -109066.5126 299.1884 28.4754 52.7704 762091.4235 14.8616 14.4627 PRESSURE: 1637400 82.0998 4.31455 -85.8359 4.31591 73.1269 1.89174 -85.8353 1.89213 99.9922 GPRESSURE: 1637400 157.272 -1.09811 -172.041 -114.441 39.1129 7.64569 43.8868 -45.5052 116.672 PRESSAVG: 1637400 -50.5528 -69.901 -2.18015 -69.901 23.1659 2.12912 -2.18021 2.12914 -6.19931 GPRESSAVG: 1637400 -50.1467 -69.2102 -0.668102 -70.5926 23.1546 3.19699 -2.74214 0.549333 -6.73316 TIMING: 1637400 CPU: 5177.13, 0.00319692/step Wall: 5177.13, 0.00319692/step, 2.98611 hours remaining, 236.437500 MB of memory in use. ENERGY: 1637400 4055.6171 20571.8139 14463.9820 225.4540 -203293.5476 2300.1208 0.0000 0.0000 52204.9374 -109471.6225 300.0225 -161676.5598 -109102.6154 298.6509 85.0730 104.3523 762367.9105 -11.1954 -11.2417 PRESSURE: 1637600 523.053 64.262 -72.883 64.2616 315.703 -270.26 -72.8819 -270.259 261.585 GPRESSURE: 1637600 452.16 58.0784 -69.1262 3.80995 382.469 -233.711 -78.496 -183.544 345.289 PRESSAVG: 1637600 -13.3077 -69.6381 23.8004 -69.6382 -39.2032 -44.3791 23.8004 -44.3791 -6.25801 GPRESSAVG: 1637600 -11.8685 -69.2725 23.5939 -70.8324 -41.3787 -43.6741 25.7278 -42.8863 -5.86582 TIMING: 1637600 CPU: 5177.77, 0.00320238/step Wall: 5177.77, 0.00320238/step, 2.99102 hours remaining, 236.437500 MB of memory in use. ENERGY: 1637600 3952.7796 20519.7219 14475.1004 239.6721 -204140.8340 3305.0771 0.0000 0.0000 52120.2516 -109528.2313 299.5358 -161648.4830 -109169.6260 298.9943 366.7804 393.3060 761243.2381 -19.5896 -19.7043 PRESSURE: 1637800 409.134 19.2592 -42.2148 19.2584 -96.2387 247.803 -42.2143 247.804 294.422 GPRESSURE: 1637800 382.971 -10.2945 57.6524 62.4925 -23.1708 232.029 -74.3109 319.084 306.594 PRESSAVG: 1637800 -15.1963 7.01798 -32.0677 7.01799 -36.8989 -11.6035 -32.0676 -11.6034 -11.9937 GPRESSAVG: 1637800 -17.4199 5.44348 -32.2825 7.54146 -32.738 -11.7295 -34.9317 -10.9239 -12.9209 TIMING: 1637800 CPU: 5178.4, 0.00317735/step Wall: 5178.4, 0.00317735/step, 2.96747 hours remaining, 236.437500 MB of memory in use. ENERGY: 1637800 3992.2017 20531.8397 14564.1087 226.3622 -203309.9023 2631.2041 0.0000 0.0000 51985.9772 -109378.2087 298.7641 -161364.1859 -109024.4578 299.0957 202.4390 222.1313 761000.3426 -21.3630 -21.0263 PRESSURE: 1638000 -307.373 48.353 -442.642 48.3536 -218.448 -113.59 -442.643 -113.591 1.69373 GPRESSURE: 1638000 -192.506 118.309 -423.501 -59.0607 -228.577 -51.5083 -314.283 -178.578 -13.9733 PRESSAVG: 1638000 7.4382 -36.28 -55.8869 -36.28 15.5081 30.356 -55.8869 30.356 11.4004 GPRESSAVG: 1638000 8.41218 -36.1809 -54.8183 -34.9428 13.0778 30.1354 -55.1904 26.4169 12.6848 TIMING: 1638000 CPU: 5179.04, 0.00320206/step Wall: 5179.04, 0.00320206/step, 2.99037 hours remaining, 236.437500 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: 1638000 4035.0800 20573.2437 14576.8030 252.2174 -203726.0690 2835.8433 0.0000 0.0000 52135.3856 -109317.4960 299.6228 -161452.8815 -108963.5030 299.5721 -174.7089 -145.0188 762201.1078 11.4489 11.3916 PRESSURE: 1638200 209.193 -84.3243 -51.1939 -84.3249 525.61 -29.1603 -51.1945 -29.1614 325.746 GPRESSURE: 1638200 220.861 -112.394 -68.0509 -54.8862 552.141 -43.25 201.656 73.347 387.997 PRESSAVG: 1638200 4.31428 -52.6582 -11.3579 -52.6582 22.9139 -65.9849 -11.358 -65.9849 1.27225 GPRESSAVG: 1638200 4.49352 -53.0084 -12.3779 -53.065 23.5295 -68.9 -11.552 -63.4253 0.748989 TIMING: 1638200 CPU: 5179.68, 0.00320473/step Wall: 5179.68, 0.00320473/step, 2.99268 hours remaining, 236.437500 MB of memory in use. ENERGY: 1638200 3986.2155 20412.2157 14582.0709 248.2004 -203326.7642 2736.4144 0.0000 0.0000 52002.9394 -109358.7079 298.8616 -161361.6474 -108991.2608 299.4395 353.5163 386.9997 760136.7937 9.5001 9.5907 PRESSURE: 1638400 -226.086 140.596 235.711 140.597 -227.301 29.8341 235.711 29.8357 79.5178 GPRESSURE: 1638400 -202.509 43.3065 225.84 177.549 -191.96 -16.8262 170.007 36.5756 111.271 PRESSAVG: 1638400 17.7149 -5.82143 0.189975 -5.82144 -21.0454 -18.6378 0.189985 -18.6379 -21.3311 GPRESSAVG: 1638400 17.4385 -6.1292 0.830338 -5.61606 -20.8249 -17.1304 0.392002 -19.4738 -20.9929 TIMING: 1638400 CPU: 5180.32, 0.00319922/step Wall: 5180.32, 0.00319922/step, 2.98736 hours remaining, 236.437500 MB of memory in use. ENERGY: 1638400 3917.8929 20651.4396 14532.8207 266.4951 -203274.1774 2524.6942 0.0000 0.0000 52134.5406 -109246.2942 299.6179 -161380.8349 -108880.3204 299.4397 -124.6232 -94.3993 762877.4226 -8.2205 -8.1264 PRESSURE: 1638600 -297.44 -268.222 -165.792 -268.222 -108.049 97.5849 -165.793 97.5831 -3.36767 GPRESSURE: 1638600 -209.14 -321.882 -135.92 -274.63 -62.1719 112.148 -107.329 133.193 -40.8937 PRESSAVG: 1638600 -4.69765 32.9197 -5.49992 32.9198 31.2599 2.8561 -5.4998 2.85617 10.3445 GPRESSAVG: 1638600 -3.54302 31.5519 -4.99481 33.7354 30.1427 1.46136 -7.96627 2.43889 10.2621 TIMING: 1638600 CPU: 5180.95, 0.00315282/step Wall: 5180.95, 0.00315282/step, 2.94386 hours remaining, 236.437500 MB of memory in use. ENERGY: 1638600 3956.5315 20461.1593 14573.0441 251.6375 -203437.6352 2515.0055 0.0000 0.0000 52440.9647 -109239.2926 301.3789 -161680.2573 -108863.4684 299.5318 -136.2858 -104.0686 761015.3004 12.3022 12.2873 PRESSURE: 1638800 -464.42 12.7549 148.867 12.7554 205.823 101.895 148.867 101.895 59.1059 GPRESSURE: 1638800 -489.63 -61.6236 153.411 -23.9125 260.282 117.484 133.163 -34.4937 118.251 PRESSAVG: 1638800 29.3314 -16.4899 16.9435 -16.4899 -18.5246 20.079 16.9436 20.0788 -23.2977 GPRESSAVG: 1638800 29.766 -14.8147 16.6137 -18.1019 -19.02 22.7264 18.8907 20.3356 -23.4426 TIMING: 1638800 CPU: 5181.59, 0.00315886/step Wall: 5181.59, 0.00315886/step, 2.94932 hours remaining, 236.437500 MB of memory in use. ENERGY: 1638800 4007.4664 20723.8537 14596.0453 259.0793 -203309.3217 2534.1670 0.0000 0.0000 51946.3740 -109242.3360 298.5365 -161188.7100 -108877.8146 299.6548 -66.4968 -37.0323 761389.8568 -4.1636 -4.2322 PRESSURE: 1639000 123.143 -96.4618 -26.3439 -96.4619 125.307 228.99 -26.3424 228.988 370.075 GPRESSURE: 1639000 178.56 -94.5803 -132.961 -205.478 98.0964 269.73 166.948 261.83 415.705 PRESSAVG: 1639000 -8.4189 -58.1979 -12.2122 -58.1979 51.5916 7.48778 -12.2122 7.48772 14.1621 GPRESSAVG: 1639000 -9.49106 -57.9206 -14.5551 -56.7204 52.7485 5.93735 -14.1168 6.83953 14.0902 TIMING: 1639000 CPU: 5182.22, 0.00316864/step Wall: 5182.22, 0.00316864/step, 2.95828 hours remaining, 236.437500 MB of memory in use. ENERGY: 1639000 4071.5648 20679.4413 14525.7622 272.7494 -203772.7487 2936.3495 0.0000 0.0000 52022.9490 -109263.9325 298.9766 -161286.8815 -108904.9186 299.4008 206.1751 230.7873 760475.4548 19.1116 19.1159 PRESSURE: 1639200 -248.181 110.735 39.01 110.735 211.408 99.2492 39.0091 99.2491 -178.371 GPRESSURE: 1639200 -133.387 142.243 38.9168 29.6996 222.062 158.537 90.1323 30.7385 -213.149 PRESSAVG: 1639200 -24.6745 14.1151 -22.2003 14.1151 0.137526 8.20388 -22.2004 8.20388 -6.06726 GPRESSAVG: 1639200 -24.0875 13.8305 -21.0613 12.3275 0.126703 8.64923 -18.231 9.29515 -6.50292 TIMING: 1639200 CPU: 5182.85, 0.00315808/step Wall: 5182.85, 0.00315808/step, 2.94825 hours remaining, 236.437500 MB of memory in use. ENERGY: 1639200 3935.4293 20591.5498 14490.9208 251.3484 -203541.9686 2595.9362 0.0000 0.0000 52187.8325 -109488.9516 299.9242 -161676.7841 -109119.2508 299.3795 -71.7150 -41.4912 759980.6109 -10.2014 -10.1546 PRESSURE: 1639400 -12.4194 -116.946 -52.4356 -116.947 -112.11 -67.637 -52.4363 -67.6367 325.683 GPRESSURE: 1639400 25.0142 -193.579 -130.63 -7.83234 -105.817 -165.701 -82.6643 -184.059 346.31 PRESSAVG: 1639400 -35.057 -33.8673 12.0395 -33.8673 21.5188 19.4711 12.0395 19.471 7.40658 GPRESSAVG: 1639400 -35.5153 -35.9963 12.0964 -32.0094 21.2283 20.0208 10.1289 17.34 7.91679 TIMING: 1639400 CPU: 5183.48, 0.00315982/step Wall: 5183.48, 0.00315982/step, 2.94969 hours remaining, 236.437500 MB of memory in use. ENERGY: 1639400 3951.9797 20488.5927 14466.6953 252.2438 -203197.5360 2530.4984 0.0000 0.0000 52086.3514 -109421.1747 299.3410 -161507.5261 -109049.3342 298.7130 67.0512 88.5024 761033.8866 -2.0439 -2.1234 PRESSURE: 1639600 156.622 -119.05 145.883 -119.05 272.772 36.187 145.882 36.1863 371.438 GPRESSURE: 1639600 198.185 -129.504 140.028 -149.951 215.897 58.3707 158.933 -2.00915 471.162 PRESSAVG: 1639600 14.2768 1.74262 -21.5652 1.7427 -29.3647 30.1131 -21.5652 30.1131 -4.94242 GPRESSAVG: 1639600 15.5869 2.81143 -21.1491 -0.597165 -30.7017 30.5781 -23.3611 30.5677 -4.59637 TIMING: 1639600 CPU: 5184.11, 0.00315372/step Wall: 5184.11, 0.00315372/step, 2.94382 hours remaining, 236.437500 MB of memory in use. ENERGY: 1639600 4083.1362 20621.2830 14564.4331 250.3231 -204122.5635 3103.9139 0.0000 0.0000 51935.6372 -109563.8369 298.4748 -161499.4742 -109221.0228 298.9890 266.9437 295.0814 760170.0852 -6.6767 -6.5704 PRESSURE: 1639800 -198.751 73.9764 77.373 73.9758 -55.8509 -120.206 77.3731 -120.206 -271.76 GPRESSURE: 1639800 -258.844 17.8837 -9.96305 121.678 -50.7651 -118.662 55.4692 100.877 -137.256 PRESSAVG: 1639800 20.2367 -72.0038 28.5202 -72.0038 -15.8446 10.4712 28.5201 10.4712 11.8574 GPRESSAVG: 1639800 19.7008 -72.2763 29.6664 -69.8387 -15.2096 9.56247 28.4021 11.709 11.8582 TIMING: 1639800 CPU: 5184.75, 0.00317269/step Wall: 5184.75, 0.00317269/step, 2.96136 hours remaining, 236.437500 MB of memory in use. ENERGY: 1639800 4016.1985 20471.9135 14590.5646 260.3760 -203505.0845 2397.0656 0.0000 0.0000 52122.4123 -109646.5539 299.5482 -161768.9662 -109277.3279 299.0637 -175.4539 -148.9552 760634.9621 5.4165 5.4498 PRESSURE: 1640000 -296.837 -78.48 65.6687 -78.4806 -93.2681 166.897 65.6683 166.896 -96.7562 GPRESSURE: 1640000 -295.859 -192.166 47.6957 -124.918 -96.9577 48.5991 -6.54765 114.448 -1.60668 PRESSAVG: 1640000 32.0437 -22.5962 -35.5727 -22.5962 -31.6163 -25.4483 -35.5728 -25.4483 17.9454 GPRESSAVG: 1640000 30.3834 -22.6944 -37.2429 -23.3127 -30.3442 -26.127 -34.1471 -25.1888 18.0283 TIMING: 1640000 CPU: 5185.39, 0.00319237/step Wall: 5185.39, 0.00319237/step, 2.97955 hours remaining, 236.437500 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: 1640000 3973.8347 20422.0591 14541.9859 229.0558 -203561.5923 2540.6134 0.0000 0.0000 52185.9537 -109668.0898 299.9134 -161854.0434 -109296.4963 298.4835 -162.2871 -131.4744 761419.6894 6.1243 6.0225 PRESSURE: 1640200 45.6294 -179.148 -106.188 -179.149 8.21469 31.9518 -106.188 31.9513 -95.1259 GPRESSURE: 1640200 60.5076 -104.749 -126.326 -179.379 83.3954 94.2534 -139.428 -14.6496 -103.408 PRESSAVG: 1640200 53.739 -57.3646 27.2466 -57.3647 -27.8006 -65.0744 27.2466 -65.0744 -4.76126 GPRESSAVG: 1640200 55.0536 -55.1127 26.534 -57.5031 -28.5056 -65.5019 26.047 -65.4632 -5.26622 TIMING: 1640200 CPU: 5186.03, 0.00320547/step Wall: 5186.03, 0.00320547/step, 2.9916 hours remaining, 236.437500 MB of memory in use. ENERGY: 1640200 3961.8586 20337.8854 14526.8608 240.2385 -203299.1999 2449.1810 0.0000 0.0000 52011.8910 -109771.2845 298.9131 -161783.1755 -109395.5428 298.2944 -13.7606 13.4984 761539.4517 7.0591 7.0940 LDB: ============= START OF LOAD BALANCING ============== 5198.56 LDB: ============== END OF LOAD BALANCING =============== 5198.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5198.56 LDB: ============= START OF LOAD BALANCING ============== 5198.88 LDB: Largest compute 7042 load 0.032448 is 16.6% of average load 0.195343 LDB: Average compute 0.004377 is 2.2% of average load 0.195343 LDB: TIME 5198.88 LOAD: AVG 0.195343 MAX 0.218168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 5198.88 LOAD: AVG 0.195343 MAX 0.218168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 5198.88 LOAD: AVG 0.195343 MAX 0.215812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 5198.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5198.89 PRESSURE: 1640400 328.146 -182.7 -95.1456 -182.699 230.985 94.9442 -95.146 94.9443 382.529 GPRESSURE: 1640400 301.64 -207.496 -153.253 -280.249 286.014 104.111 -2.77996 59.9492 424.046 PRESSAVG: 1640400 33.877 -39.709 -61.6298 -39.709 -59.3616 0.437017 -61.6297 0.437018 4.11492 GPRESSAVG: 1640400 33.614 -43.3455 -61.0176 -36.7994 -59.7877 2.40313 -59.4041 0.845855 4.78007 TIMING: 1640400 CPU: 5186.67, 0.00323349/step Wall: 5186.67, 0.00323349/step, 3.01756 hours remaining, 235.140625 MB of memory in use. ENERGY: 1640400 3912.1878 20534.4282 14525.4926 246.6039 -204058.3285 2836.8618 0.0000 0.0000 51749.8163 -110252.9379 297.4069 -162002.7542 -109899.1239 297.5423 313.8864 337.2331 761029.3534 -7.1232 -7.1312 PRESSURE: 1640600 109.169 -71.9359 -76.3772 -71.9356 -131.444 22.0322 -76.378 22.0326 -27.2861 GPRESSURE: 1640600 234.082 -89.1304 -71.7633 -68.0689 -123.904 54.8935 -72.7832 -34.9532 -66.9493 PRESSAVG: 1640600 -7.08589 -84.1867 -6.68726 -84.1867 -9.00281 5.02356 -6.68722 5.0235 5.09059 GPRESSAVG: 1640600 -6.51537 -82.8126 -6.86457 -86.0502 -8.71543 2.04483 -7.83473 5.47136 4.4211 TIMING: 1640600 CPU: 5187.31, 0.00318639/step Wall: 5187.31, 0.00318639/step, 2.97343 hours remaining, 235.210938 MB of memory in use. ENERGY: 1640600 3901.4453 20290.7412 14489.5622 241.9704 -203469.8925 2520.0307 0.0000 0.0000 51885.0921 -110141.0506 298.1843 -162026.1427 -109774.2385 297.5088 -16.5205 14.4097 761255.9949 -3.6660 -3.6032 PRESSURE: 1640800 25.3843 26.3362 132.656 26.3358 -110.067 -281.929 132.656 -281.929 42.2161 GPRESSURE: 1640800 136.821 17.5555 88.4413 -74.8039 -136.952 -203.444 71.9059 -178.485 46.673 PRESSAVG: 1640800 23.9855 -18.0967 11.0124 -18.0966 -18.2513 -14.6968 11.0125 -14.6968 13.3248 GPRESSAVG: 1640800 24.5279 -19.1483 12.3744 -19.1768 -18.2181 -13.5329 10.8629 -14.742 13.0286 TIMING: 1640800 CPU: 5187.95, 0.00319652/step Wall: 5187.95, 0.00319652/step, 2.98271 hours remaining, 235.414062 MB of memory in use. ENERGY: 1640800 3958.1062 20439.1998 14562.6220 244.9605 -203708.1963 2612.4388 0.0000 0.0000 52004.9364 -109885.9327 298.8731 -161890.8690 -109528.6599 298.0219 -14.1556 15.5139 760603.5959 6.3530 6.4461 PRESSURE: 1641000 328.839 249.04 -249.225 249.041 434.982 -14.734 -249.226 -14.7339 245.086 GPRESSURE: 1641000 337.461 97.8515 -237.523 187.491 518.953 -5.94152 -200.661 43.4508 247.7 PRESSAVG: 1641000 38.0918 -45.3278 4.09019 -45.3278 -25.688 9.30905 4.09018 9.30908 -10.3453 GPRESSAVG: 1641000 37.9141 -46.6482 5.15329 -45.0701 -25.1918 8.9079 3.20224 9.76712 -10.7301 TIMING: 1641000 CPU: 5188.58, 0.00315239/step Wall: 5188.58, 0.00315239/step, 2.94135 hours remaining, 235.414062 MB of memory in use. ENERGY: 1641000 3934.9263 20523.3173 14485.4721 252.8223 -203480.3837 2621.4146 0.0000 0.0000 52035.2620 -109627.1691 299.0474 -161662.4311 -109265.7929 298.7988 336.3025 368.0380 760411.2692 0.6862 0.6641 PRESSURE: 1641200 397.727 224.687 -59.6764 224.687 2.65941 -111.35 -59.6761 -111.35 -270.925 GPRESSURE: 1641200 471.067 130.627 -87.1977 109.254 -4.57706 -121.8 39.1254 -38.9965 -244.463 PRESSAVG: 1641200 28.4573 1.70543 34.2919 1.70545 8.35321 27.2595 34.2918 27.2595 3.26833 GPRESSAVG: 1641200 29.1553 3.80541 30.647 0.0572641 8.05905 26.6627 37.0852 25.9688 2.8222 TIMING: 1641200 CPU: 5189.22, 0.00317413/step Wall: 5189.22, 0.00317413/step, 2.96146 hours remaining, 235.414062 MB of memory in use. ENERGY: 1641200 4028.6791 20341.2816 14440.3691 225.9685 -203766.9751 2756.2679 0.0000 0.0000 52203.3243 -109771.0844 300.0132 -161974.4088 -109405.4674 298.6451 43.1538 74.0090 760397.8447 13.3596 13.3455 PRESSURE: 1641400 -89.9966 115.632 23.629 115.632 119.718 -216.742 23.6288 -216.743 -63.8501 GPRESSURE: 1641400 -50.9667 30.7212 114.22 144.929 169.409 -190.931 157.108 -112.955 -78.2242 PRESSAVG: 1641400 41.7088 -18.1706 58.4892 -18.1706 -57.0454 -20.3919 58.4892 -20.3919 -9.08308 GPRESSAVG: 1641400 40.9025 -18.9896 62.3507 -16.6775 -57.0352 -18.2076 58.7628 -18.7568 -7.78066 TIMING: 1641400 CPU: 5189.85, 0.00316483/step Wall: 5189.85, 0.00316483/step, 2.95261 hours remaining, 235.414062 MB of memory in use. ENERGY: 1641400 3964.3641 20433.4077 14574.2005 234.1776 -203430.2862 2543.7955 0.0000 0.0000 51953.9662 -109726.3746 298.5802 -161680.3408 -109364.6768 298.3934 -11.3761 13.4059 760544.9244 -8.1399 -7.9711 PRESSURE: 1641600 -11.466 68.8086 103.201 68.8088 -275.463 26.4079 103.202 26.4094 -661.636 GPRESSURE: 1641600 69.7322 81.0679 250.192 84.3518 -298.494 -60.2556 81.0924 3.43724 -619.885 PRESSAVG: 1641600 21.1261 10.392 66.156 10.392 -20.6796 55.5745 66.156 55.5745 27.8497 GPRESSAVG: 1641600 21.6092 11.6058 64.7844 9.64348 -20.2074 53.4982 63.1134 55.1563 27.1057 TIMING: 1641600 CPU: 5190.48, 0.00315744/step Wall: 5190.48, 0.00315744/step, 2.94554 hours remaining, 235.414062 MB of memory in use. ENERGY: 1641600 3939.6325 20363.2838 14577.2083 246.3330 -203607.0983 2477.4930 0.0000 0.0000 52115.1532 -109887.9944 299.5065 -162003.1476 -109519.1253 298.3661 -316.1883 -282.8823 761327.3080 9.4321 9.5025 PRESSURE: 1641800 -201.788 -127.108 -90.729 -127.108 -276.214 -75.8171 -90.7273 -75.8172 -80.8434 GPRESSURE: 1641800 -99.3965 -162.448 -113.743 -21.851 -269.894 -139.537 -78.3985 -84.9145 -75.4452 PRESSAVG: 1641800 3.52899 -37.554 6.27635 -37.554 66.7349 49.1097 6.27636 49.1097 -6.36395 GPRESSAVG: 1641800 2.65059 -37.6764 5.87835 -36.9287 65.3784 51.7818 6.88764 47.2156 -4.56464 TIMING: 1641800 CPU: 5191.11, 0.00316973/step Wall: 5191.11, 0.00316973/step, 2.95683 hours remaining, 235.414062 MB of memory in use. ENERGY: 1641800 3996.2870 20599.3939 14446.5705 259.3433 -203443.9759 2610.4727 0.0000 0.0000 51904.8850 -109627.0235 298.2981 -161531.9085 -109268.2135 298.7964 -186.2819 -148.2453 761237.4968 21.3000 21.1548 PRESSURE: 1642000 166.05 94.8979 19.8718 94.8983 356.231 96.5709 19.8716 96.5718 -251.323 GPRESSURE: 1642000 165.13 187.213 144.638 -29.7297 323.325 114.551 21.7697 76.1587 -138.457 PRESSAVG: 1642000 28.2098 -39.812 31.7971 -39.8119 -36.4708 -5.44416 31.7972 -5.44417 0.57241 GPRESSAVG: 1642000 28.8919 -38.6408 33.0949 -40.5773 -35.4008 -6.80342 32.2087 -3.49156 -0.973343 TIMING: 1642000 CPU: 5191.74, 0.00315159/step Wall: 5191.74, 0.00315159/step, 2.93973 hours remaining, 235.414062 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: 1642000 4045.0767 20594.6653 14555.2728 249.0019 -203445.3696 2604.0882 0.0000 0.0000 51938.0487 -109459.2160 298.4887 -161397.2648 -109101.4086 298.6823 90.3190 116.6660 760823.6822 -2.5629 -2.4941 PRESSURE: 1642200 71.4872 103.776 147.392 103.777 -81.8892 24.1898 147.392 24.1901 -140.383 GPRESSURE: 1642200 60.2553 39.1877 146.91 39.592 -17.9855 -30.0774 95.4536 -17.7449 -118.837 PRESSAVG: 1642200 -72.2789 -18.7092 32.7074 -18.7092 83.7442 3.12385 32.7073 3.12387 -18.6735 GPRESSAVG: 1642200 -72.8298 -21.3081 29.9055 -16.7996 84.3199 1.13434 33.1816 3.8653 -18.3098 TIMING: 1642200 CPU: 5192.37, 0.00313695/step Wall: 5192.37, 0.00313695/step, 2.9259 hours remaining, 235.414062 MB of memory in use. ENERGY: 1642200 4028.5775 20510.6594 14524.5118 254.0714 -203806.1790 2902.4553 0.0000 0.0000 52005.3997 -109580.5038 298.8757 -161585.9035 -109218.4963 299.2053 -50.2616 -25.5223 761010.9013 -2.4027 -2.2732 PRESSURE: 1642400 297.015 70.9037 -25.9588 70.9039 232.342 422.321 -25.959 422.321 125.065 GPRESSURE: 1642400 317.821 71.2977 -54.2526 78.9398 287.455 462.207 61.6008 355.188 137.991 PRESSAVG: 1642400 8.74734 -8.62748 54.3942 -8.62755 12.5181 23.9056 54.3941 23.9056 -4.20214 GPRESSAVG: 1642400 9.74987 -8.67467 56.6999 -8.43313 11.8428 23.9953 52.5874 22.9034 -4.79004 TIMING: 1642400 CPU: 5193, 0.00316083/step Wall: 5193, 0.00316083/step, 2.948 hours remaining, 235.414062 MB of memory in use. ENERGY: 1642400 4020.8939 20538.3257 14582.4916 252.3117 -203908.7179 3071.8737 0.0000 0.0000 51963.2999 -109479.5214 298.6338 -161442.8213 -109110.1536 298.5893 218.1406 247.7555 761814.6410 5.6878 5.6009 PRESSURE: 1642600 77.7004 38.0387 164.795 38.0386 21.3483 -95.6695 164.795 -95.67 -94.7381 GPRESSURE: 1642600 124.878 -55.2786 95.0488 -20.1711 66.836 -108.487 139.81 -93.8708 -88.3981 PRESSAVG: 1642600 -38.4411 -14.6767 -19.1976 -14.6767 23.0642 26.1857 -19.1976 26.1858 -17.3349 GPRESSAVG: 1642600 -37.6333 -12.5896 -20.7316 -15.2662 23.1748 26.6062 -16.7977 26.1322 -18.0767 TIMING: 1642600 CPU: 5193.64, 0.00317127/step Wall: 5193.64, 0.00317127/step, 2.95756 hours remaining, 235.414062 MB of memory in use. ENERGY: 1642600 4066.0327 20444.6664 14568.6722 268.6734 -203786.9587 2850.1502 0.0000 0.0000 52283.6795 -109305.0844 300.4750 -161588.7638 -108945.3588 299.2154 1.4369 34.4386 758910.6153 -10.9039 -10.8450 PRESSURE: 1642800 435.718 -273.109 -203.738 -273.109 -185.973 32.803 -203.739 32.8026 71.9089 GPRESSURE: 1642800 428.02 -166.949 -200.399 -233.567 -57.2727 31.1987 -226.67 5.51014 57.1567 PRESSAVG: 1642800 33.8487 -24.7265 56.8871 -24.7265 1.39504 -2.26351 56.8871 -2.26357 5.93811 GPRESSAVG: 1642800 33.055 -23.4259 57.9366 -26.0705 2.07453 -2.17766 56.388 -4.46458 6.04763 TIMING: 1642800 CPU: 5194.26, 0.00313152/step Wall: 5194.26, 0.00313152/step, 2.92031 hours remaining, 235.414062 MB of memory in use. ENERGY: 1642800 4071.8985 20349.2609 14610.6747 248.7790 -203634.5185 2691.6249 0.0000 0.0000 52320.4515 -109341.8290 300.6864 -161662.2805 -108984.2855 299.6980 107.2181 142.6347 760312.1966 13.7273 13.7257 PRESSURE: 1643000 -73.0221 -23.7233 38.1415 -23.7232 -148.012 -156.314 38.141 -156.314 -160.628 GPRESSURE: 1643000 28.7139 -23.5397 147.812 -23.6433 -173.37 -109.208 28.7821 30.083 -153.621 PRESSAVG: 1643000 -12.1323 -31.9289 -13.8073 -31.929 -3.6622 -21.9634 -13.8073 -21.9634 0.22767 GPRESSAVG: 1643000 -11.1473 -34.0378 -13.4352 -31.5052 -4.52421 -20.1678 -14.6108 -17.1798 0.917182 TIMING: 1643000 CPU: 5194.9, 0.00315525/step Wall: 5194.9, 0.00315525/step, 2.94227 hours remaining, 235.414062 MB of memory in use. ENERGY: 1643000 4041.4305 20566.4853 14566.7760 259.4035 -203412.3490 2591.5470 0.0000 0.0000 52058.2088 -109328.4979 299.1792 -161386.7067 -108961.0345 299.5896 -127.2207 -99.4256 761115.7624 -5.1889 -4.9181 PRESSURE: 1643200 -23.6281 60.3456 -90.3586 60.3451 -274.694 -116.737 -90.3581 -116.737 201.999 GPRESSURE: 1643200 6.6942 42.9024 40.8101 -39.3967 -284.138 -60.5748 -177.278 -40.5443 244.023 PRESSAVG: 1643200 -5.23144 -14.9706 -8.668 -14.9706 -50.1957 43.5235 -8.66799 43.5234 2.74683 GPRESSAVG: 1643200 -6.04164 -15.9746 -8.00494 -14.1319 -50.2653 40.946 -10.1496 41.0614 3.3578 TIMING: 1643200 CPU: 5195.52, 0.00314545/step Wall: 5195.52, 0.00314545/step, 2.93295 hours remaining, 235.414062 MB of memory in use. ENERGY: 1643200 4026.6103 20575.1309 14514.7213 240.2024 -203392.2724 2419.5915 0.0000 0.0000 52108.8630 -109507.1529 299.4704 -161616.0159 -109146.5405 299.2158 -32.1077 -11.1402 761959.5473 -17.5601 -17.6497 PRESSURE: 1643400 -17.2848 -105.963 -40.9456 -105.962 -21.4917 32.069 -40.9462 32.0685 12.5057 GPRESSURE: 1643400 24.7914 -200.546 -47.1967 -168.908 40.9672 120.986 55.2645 134.492 -7.83019 PRESSAVG: 1643400 24.0496 -47.3515 43.87 -47.3515 -2.16258 -10.2817 43.8699 -10.2816 -0.505647 GPRESSAVG: 1643400 24.6141 -45.7455 42.4742 -48.4549 -1.54543 -8.75808 44.7061 -10.9515 -1.57662 TIMING: 1643400 CPU: 5196.15, 0.00313356/step Wall: 5196.15, 0.00313356/step, 2.92169 hours remaining, 235.414062 MB of memory in use. ENERGY: 1643400 4029.8169 20401.3851 14465.0800 251.5917 -203706.9918 2774.9418 0.0000 0.0000 52219.3742 -109564.8021 300.1055 -161784.1764 -109195.6234 298.8942 -8.7570 19.3095 761648.9808 7.1271 7.1640 PRESSURE: 1643600 76.1117 -8.03569 39.3454 -8.03517 -250.118 65.9676 39.3455 65.9678 -281.752 GPRESSURE: 1643600 -53.3712 58.637 71.6391 82.8837 -155.751 -5.70303 44.366 233.696 -177.98 PRESSAVG: 1643600 4.56035 27.3788 -6.79343 27.3788 6.61247 17.561 -6.79347 17.561 0.422471 GPRESSAVG: 1643600 3.7936 26.5004 -6.3254 28.1185 7.16099 16.8524 -6.59046 19.9839 0.664545 TIMING: 1643600 CPU: 5196.78, 0.00313337/step Wall: 5196.78, 0.00313337/step, 2.92134 hours remaining, 235.414062 MB of memory in use. ENERGY: 1643600 4021.0060 20661.7923 14566.5559 274.6703 -203772.3761 2878.7091 0.0000 0.0000 51763.6364 -109606.0062 297.4863 -161369.6425 -109252.6252 298.7299 -151.9192 -129.0339 761689.7298 3.8651 3.8730 PRESSURE: 1643800 -234.428 19.9614 66.2562 19.9617 201.79 32.8779 66.2549 32.8772 157.897 GPRESSURE: 1643800 -169.715 29.0641 61.9907 26.9526 226.63 2.41345 64.7567 -63.2657 138.673 PRESSAVG: 1643800 75.9673 -28.3275 -42.2841 -28.3276 -28.7245 8.52131 -42.2841 8.52134 0.121328 GPRESSAVG: 1643800 76.5751 -26.6953 -42.2494 -27.0825 -30.2421 9.28633 -42.9082 6.42996 0.840377 TIMING: 1643800 CPU: 5197.41, 0.00314154/step Wall: 5197.41, 0.00314154/step, 2.92879 hours remaining, 235.414062 MB of memory in use. ENERGY: 1643800 3970.1969 20629.4044 14432.3483 256.0057 -203951.1992 2977.5909 0.0000 0.0000 52113.2337 -109572.4194 299.4955 -161685.6531 -109198.0841 298.9983 41.7531 65.1957 762246.6882 15.7880 15.7245 PRESSURE: 1644000 59.632 -17.3071 206.954 -17.3066 -12.9808 -40.3282 206.953 -40.327 414.45 GPRESSURE: 1644000 102.026 95.7364 174.247 -132.606 60.1542 -94.3176 155.829 -29.3417 354.419 PRESSAVG: 1644000 15.5073 -43.8064 19.0109 -43.8064 -52.141 -24.0743 19.0109 -24.0744 39.3439 GPRESSAVG: 1644000 15.769 -45.3873 18.2165 -45.9797 -52.4846 -24.359 19.9608 -24.0949 39.4183 TIMING: 1644000 CPU: 5198.04, 0.00314932/step Wall: 5198.04, 0.00314932/step, 2.93586 hours remaining, 235.414062 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: 1644000 3945.0897 20697.1616 14487.0568 247.8781 -203959.3778 2879.6593 0.0000 0.0000 52152.4201 -109550.1123 299.7207 -161702.5323 -109178.1577 298.8548 153.7005 172.1996 762020.3132 0.9034 0.9009 PRESSURE: 1644200 -53.151 -210.046 355.921 -210.046 91.2681 -40.5439 355.921 -40.5437 -306.284 GPRESSURE: 1644200 -39.3933 -194.337 433.374 -13.6816 40.8974 -110.183 267.639 -118.224 -183.976 PRESSAVG: 1644200 3.15933 -29.365 33.076 -29.365 7.93327 -22.5814 33.0761 -22.5815 7.23352 GPRESSAVG: 1644200 3.19034 -28.3572 34.6009 -28.377 8.92483 -23.7276 31.8401 -22.2846 6.56374 TIMING: 1644200 CPU: 5198.66, 0.0031406/step Wall: 5198.66, 0.0031406/step, 2.92756 hours remaining, 235.414062 MB of memory in use. ENERGY: 1644200 3980.9530 20289.6080 14514.8470 253.0001 -203518.5610 2706.2147 0.0000 0.0000 52165.0633 -109608.8748 299.7933 -161773.9381 -109239.3331 298.9209 -89.3888 -60.8241 762964.1250 6.1087 6.2263 LDB: ============= START OF LOAD BALANCING ============== 5211.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5211.2 LDB: =============== DONE WITH MIGRATION ================ 5211.2 LDB: ============= START OF LOAD BALANCING ============== 5211.51 LDB: Largest compute 7053 load 0.031215 is 16.0% of average load 0.195486 LDB: Average compute 0.004395 is 2.2% of average load 0.195486 LDB: TIME 5211.52 LOAD: AVG 0.195486 MAX 0.213735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.004 MB LDB: TIME 5211.52 LOAD: AVG 0.195486 MAX 0.213735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.008 MB LDB: TIME 5211.52 LOAD: AVG 0.195486 MAX 0.213735 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.008 MB LDB: ============== END OF LOAD BALANCING =============== 5211.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5211.52 PRESSURE: 1644400 -364.454 -129.513 24.5585 -129.513 -360.21 -30.6933 24.5584 -30.6946 -265.23 GPRESSURE: 1644400 -297.203 -144.466 134.281 -56.2629 -390.676 -15.7764 69.9697 23.617 -229.951 PRESSAVG: 1644400 -19.2868 -72.2096 43.9717 -72.2095 -3.03833 2.60232 43.9717 2.60235 -15.6318 GPRESSAVG: 1644400 -20.2182 -71.8876 43.2222 -71.5742 -2.21471 4.67867 45.0746 1.67212 -15.8884 TIMING: 1644400 CPU: 5199.31, 0.00321917/step Wall: 5199.31, 0.00321917/step, 3.00062 hours remaining, 235.960938 MB of memory in use. ENERGY: 1644400 4047.3604 20546.5675 14530.4139 242.4635 -203536.6006 2621.2186 0.0000 0.0000 52149.6845 -109398.8923 299.7050 -161548.5768 -109030.0360 298.9472 -329.9644 -305.9434 761815.3233 -12.6523 -12.7738 PRESSURE: 1644600 25.8682 -95.4761 31.1383 -95.4759 -85.9268 -37.1185 31.1376 -37.1185 -75.1377 GPRESSURE: 1644600 30.6464 -60.7972 47.4965 -30.4581 -22.5848 -67.7329 154.556 -4.76899 -47.4154 PRESSAVG: 1644600 -52.127 -80.7662 -6.05005 -80.7661 15.1285 37.3152 -6.05007 37.3153 21.6665 GPRESSAVG: 1644600 -52.505 -81.4132 -6.8369 -81.9841 14.9041 37.2051 -5.46405 37.7934 22.2787 TIMING: 1644600 CPU: 5199.94, 0.00315177/step Wall: 5199.94, 0.00315177/step, 2.93762 hours remaining, 236.164062 MB of memory in use. ENERGY: 1644600 3903.8178 20478.4550 14552.9981 248.4334 -203385.9324 2612.3623 0.0000 0.0000 52184.3820 -109405.4837 299.9044 -161589.8657 -109041.1383 299.3239 -45.0654 -13.1179 761129.5299 -5.1107 -5.1074 PRESSURE: 1644800 -124.439 -159.955 44.4667 -159.955 -242.769 56.8041 44.4662 56.8034 -121.285 GPRESSURE: 1644800 -146.494 -321.708 -0.915929 -173.073 -185.32 155.953 37.3521 -120.491 -69.3782 PRESSAVG: 1644800 -25.6483 -36.6607 56.0767 -36.6607 49.1033 42.7606 56.0766 42.7606 7.01427 GPRESSAVG: 1644800 -24.9087 -37.0296 56.7015 -34.4227 47.6933 41.8314 54.9525 42.6816 7.30444 TIMING: 1644800 CPU: 5200.57, 0.00314632/step Wall: 5200.57, 0.00314632/step, 2.93237 hours remaining, 236.164062 MB of memory in use. ENERGY: 1644800 4014.8569 20516.2480 14506.9946 240.2716 -203548.6679 2875.1744 0.0000 0.0000 52082.6902 -109312.4322 299.3199 -161395.1224 -108952.9198 299.2480 -162.8312 -133.7307 760644.9060 10.1564 10.0297 PRESSURE: 1645000 181.856 -31.5107 113.559 -31.5094 -424.417 -131.149 113.561 -131.149 -217.975 GPRESSURE: 1645000 107.979 -24.0446 192.851 -43.6619 -318.009 -183.037 58.5453 -79.0272 -152.96 PRESSAVG: 1645000 -38.534 -65.2118 37.0558 -65.2118 33.8547 -52.2408 37.0558 -52.2408 -11.2114 GPRESSAVG: 1645000 -38.0292 -64.2106 36.246 -67.0441 32.8167 -52.6463 35.8675 -51.4887 -11.1999 TIMING: 1645000 CPU: 5201.2, 0.00317555/step Wall: 5201.2, 0.00317555/step, 2.95943 hours remaining, 236.164062 MB of memory in use. ENERGY: 1645000 3983.2574 20629.9925 14521.2030 227.6461 -203083.8910 2477.2211 0.0000 0.0000 52042.0839 -109202.4869 299.0866 -161244.5708 -108836.2036 299.7959 -153.5119 -120.9968 762141.9612 -5.2969 -5.4708 PRESSURE: 1645200 159.105 -25.4137 164.927 -25.413 362.373 -16.9322 164.927 -16.9323 237.837 GPRESSURE: 1645200 227.645 -43.5852 204.729 -146.893 402.909 -1.43676 210.324 -161.519 240.465 PRESSAVG: 1645200 -40.5488 -40.4781 85.7199 -40.4781 9.76604 -90.5768 85.7198 -90.5769 21.4708 GPRESSAVG: 1645200 -40.609 -43.3712 84.3838 -39.1542 11.462 -88.9542 88.8948 -91.2779 20.1141 TIMING: 1645200 CPU: 5201.84, 0.00316972/step Wall: 5201.84, 0.00316972/step, 2.95383 hours remaining, 236.164062 MB of memory in use. ENERGY: 1645200 4014.6836 20462.1169 14521.6210 220.6251 -203477.1482 2717.0730 0.0000 0.0000 52167.7729 -109373.2556 299.8089 -161541.0285 -109001.7741 298.8251 253.1050 290.3396 760133.5341 -3.1040 -3.0110 PRESSURE: 1645400 -191.165 -76.9038 -26.5955 -76.9033 84.6868 206.331 -26.5954 206.332 233.43 GPRESSURE: 1645400 -88.4285 3.3871 -80.7404 -47.1867 137.829 161.141 62.8298 304.618 164.007 PRESSAVG: 1645400 -2.34935 -8.94554 18.4264 -8.94561 27.8139 -5.07299 18.4264 -5.07287 -16.716 GPRESSAVG: 1645400 -0.823063 -6.78375 19.7198 -9.89216 26.5396 -5.08511 16.9535 -3.27496 -17.2414 TIMING: 1645400 CPU: 5202.47, 0.00317273/step Wall: 5202.47, 0.00317273/step, 2.95646 hours remaining, 236.164062 MB of memory in use. ENERGY: 1645400 3907.1914 20562.5900 14508.6195 240.6616 -203221.1377 2580.7888 0.0000 0.0000 52066.1735 -109355.1129 299.2250 -161421.2864 -108993.0896 299.2764 42.3172 71.1357 760727.2765 2.9162 2.8250 PRESSURE: 1645600 32.6802 98.9157 67.6006 98.9156 -390.31 19.308 67.6005 19.3067 5.27459 GPRESSURE: 1645600 -60.9856 54.5536 77.5522 106.774 -242.047 -61.0638 83.0311 9.10116 35.6072 PRESSAVG: 1645600 32.2137 -24.7563 44.0959 -24.7563 -104.523 13.7717 44.0959 13.7716 4.68032 GPRESSAVG: 1645600 29.2345 -23.6017 44.5575 -24.1798 -101.519 10.7258 45.2929 13.7057 4.02695 TIMING: 1645600 CPU: 5203.1, 0.00316164/step Wall: 5203.1, 0.00316164/step, 2.94594 hours remaining, 236.164062 MB of memory in use. ENERGY: 1645600 3996.0255 20508.1219 14515.9276 223.0053 -202845.9259 2342.9741 0.0000 0.0000 51944.0455 -109315.8260 298.5231 -161259.8715 -108947.6537 299.4693 -117.4518 -89.1417 761881.0401 -22.5431 -22.7524 PRESSURE: 1645800 297.86 3.13439 23.0506 3.13493 -33.4731 -84.1861 23.0511 -84.1837 322.297 GPRESSURE: 1645800 327.175 121.998 -14.581 -50.4988 -30.273 -151.723 50.5596 4.96316 365.258 PRESSAVG: 1645800 25.1051 -46.1767 21.8279 -46.1768 -27.0976 -64.4452 21.8279 -64.4451 21.5666 GPRESSAVG: 1645800 26.5995 -47.8994 22.3193 -43.6824 -29.7084 -63.4625 21.6705 -64.9872 22.6478 TIMING: 1645800 CPU: 5203.74, 0.00316251/step Wall: 5203.74, 0.00316251/step, 2.94658 hours remaining, 236.164062 MB of memory in use. ENERGY: 1645800 3951.7906 20481.8001 14534.0922 252.9450 -203032.4549 2604.5237 0.0000 0.0000 52057.7862 -109149.5171 299.1768 -161207.3033 -108790.1614 299.5190 195.5613 220.7198 761372.4521 6.5247 6.5130 PRESSURE: 1646000 8.41763 257.771 124.448 257.772 -576.039 -17.8801 124.448 -17.8802 46.0835 GPRESSURE: 1646000 -6.42288 57.142 166.806 166.099 -464.353 -47.9973 126.452 71.8152 18.7654 PRESSAVG: 1646000 26.2121 -19.4936 17.6124 -19.4936 -8.03608 -4.03522 17.6123 -4.03526 -11.0782 GPRESSAVG: 1646000 25.6896 -19.8714 17.5664 -23.311 -7.05516 -2.3385 16.9313 -2.62936 -11.6188 TIMING: 1646000 CPU: 5204.37, 0.00316978/step Wall: 5204.37, 0.00316978/step, 2.95318 hours remaining, 236.164062 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: 1646000 3963.2503 20632.1691 14529.2138 234.0123 -203336.4624 2619.6424 0.0000 0.0000 51943.1760 -109414.9985 298.5181 -161358.1745 -109050.2081 299.6011 -173.8459 -150.6702 761715.3652 2.3659 2.3385 PRESSURE: 1646200 164.268 23.4739 -192.043 23.4745 11.9382 80.6187 -192.044 80.6186 38.0736 GPRESSURE: 1646200 165.386 -87.6492 -205.675 -66.1678 75.8474 34.1283 -129.442 146.521 46.7369 PRESSAVG: 1646200 -4.72041 8.99324 9.584 8.99322 -36.1246 36.5984 9.58396 36.5985 -26.9039 GPRESSAVG: 1646200 -4.9385 11.0387 8.6316 8.65216 -35.2551 38.0793 7.53059 34.5865 -27.5993 TIMING: 1646200 CPU: 5205, 0.00315349/step Wall: 5205, 0.00315349/step, 2.93783 hours remaining, 236.164062 MB of memory in use. ENERGY: 1646200 4023.5682 20579.7757 14586.6631 239.6089 -203293.3910 2448.9551 0.0000 0.0000 51888.6930 -109526.1270 298.2050 -161414.8200 -109168.7668 298.8187 71.4265 95.9900 761060.7488 -22.5830 -22.5976 PRESSURE: 1646400 52.1781 299.053 -2.97222 299.053 -284.534 150.635 -2.97142 150.635 -16.2626 GPRESSURE: 1646400 65.3623 267.618 24.4891 224.405 -311.677 74.6681 45.6524 67.5327 72.8365 PRESSAVG: 1646400 35.3908 -23.1176 -29.8073 -23.1175 -42.3712 -16.9017 -29.8073 -16.9017 8.93245 GPRESSAVG: 1646400 35.6093 -24.6913 -28.7099 -22.4536 -43.6542 -18.6693 -30.2305 -15.0711 10.5862 TIMING: 1646400 CPU: 5205.63, 0.00315922/step Wall: 5205.63, 0.00315922/step, 2.94299 hours remaining, 236.164062 MB of memory in use. ENERGY: 1646400 3917.0376 20469.2329 14524.7624 246.3885 -203135.4533 2549.0626 0.0000 0.0000 52055.1526 -109373.8168 299.1617 -161428.9694 -109015.9999 298.9401 -82.8730 -57.8260 761408.6294 0.6507 0.8471 PRESSURE: 1646600 -421.456 -317.967 107.328 -317.967 -341.607 192.661 107.327 192.661 91.9231 GPRESSURE: 1646600 -357.031 -290.897 95.399 -298.845 -275.16 207.051 132.696 193.704 53.1603 PRESSAVG: 1646600 -12.0045 -68.5683 30.8431 -68.5684 -56.5103 39.0275 30.843 39.0274 -1.6865 GPRESSAVG: 1646600 -11.2278 -68.8173 30.1761 -67.6645 -56.3048 41.0109 31.5016 36.0173 -2.5407 TIMING: 1646600 CPU: 5206.26, 0.00315951/step Wall: 5206.26, 0.00315951/step, 2.94308 hours remaining, 236.164062 MB of memory in use. ENERGY: 1646600 3994.0416 20573.6386 14564.3464 259.6493 -202812.3708 2331.4459 0.0000 0.0000 51906.8683 -109182.3806 298.3095 -161089.2490 -108814.0708 299.2775 -223.7132 -193.0104 763175.2697 -23.4004 -23.3578 PRESSURE: 1646800 -33.5277 -121.828 97.9462 -121.829 -29.4733 -252.898 97.9464 -252.897 244.107 GPRESSURE: 1646800 -27.652 -232.091 155.604 -24.5079 70.2893 -202.829 147.799 -302.573 220.377 PRESSAVG: 1646800 15.1243 -34.5262 -16.3182 -34.5262 10.5758 47.8443 -16.3181 47.8444 2.20012 GPRESSAVG: 1646800 14.8452 -32.3788 -15.8727 -35.0188 9.85658 45.3947 -15.3009 51.4485 2.51352 TIMING: 1646800 CPU: 5206.89, 0.00314116/step Wall: 5206.89, 0.00314116/step, 2.92582 hours remaining, 236.164062 MB of memory in use. ENERGY: 1646800 3990.4604 20463.9347 14538.9222 234.4030 -203730.0190 2976.3516 0.0000 0.0000 52132.9922 -109392.9550 299.6090 -161525.9471 -109033.3465 298.8635 60.3687 87.6714 761565.2501 9.3001 9.0718 PRESSURE: 1647000 8.25133 245.752 49.093 245.752 40.8178 -226.621 49.094 -226.622 -7.7435 GPRESSURE: 1647000 141.684 151.994 -6.08496 205.551 53.9777 -135.458 10.0407 -206.713 -77.2938 PRESSAVG: 1647000 -34.3217 -34.7791 36.6613 -34.7791 37.8831 33.8157 36.6613 33.8157 -8.72147 GPRESSAVG: 1647000 -34.2734 -34.4569 38.0655 -35.0461 39.0199 35.6136 36.2523 33.5785 -9.2419 TIMING: 1647000 CPU: 5207.53, 0.00316617/step Wall: 5207.53, 0.00316617/step, 2.94893 hours remaining, 236.164062 MB of memory in use. ENERGY: 1647000 3957.9795 20334.9162 14509.2738 245.2888 -203662.1489 2804.5682 0.0000 0.0000 52340.0948 -109470.0276 300.7992 -161810.1224 -109104.5417 299.1768 13.7752 39.4559 759826.2472 -1.7200 -1.4985 PRESSURE: 1647200 -207.995 -162.449 -74.5903 -162.449 -124.176 77.4781 -74.5909 77.4789 227.287 GPRESSURE: 1647200 -90.057 -140.736 -28.1566 -227.143 -175.083 100.531 -162.56 -96.4677 232.023 PRESSAVG: 1647200 44.9106 35.5674 33.6111 35.5674 -0.39315 -11.3721 33.6111 -11.3721 -10.4976 GPRESSAVG: 1647200 45.88 33.4769 32.3857 36.4977 -0.996623 -12.9567 35.3459 -12.8608 -11.1263 TIMING: 1647200 CPU: 5208.16, 0.00317838/step Wall: 5208.16, 0.00317838/step, 2.96013 hours remaining, 236.164062 MB of memory in use. ENERGY: 1647200 3929.2846 20633.6331 14511.0099 248.1201 -203688.2408 2876.9945 0.0000 0.0000 52127.9422 -109361.2564 299.5800 -161489.1986 -109000.8278 299.3701 -34.9613 -11.0390 760205.9659 11.3399 11.2524 PRESSURE: 1647400 -201.267 -166.893 -112.057 -166.893 -75.4932 -3.29336 -112.058 -3.293 -127.174 GPRESSURE: 1647400 -124.905 -154.998 37.7552 -161.257 -87.1429 86.6693 -153.891 -8.9436 -108.725 PRESSAVG: 1647400 1.42033 -13.4376 -28.9396 -13.4375 10.2297 3.26224 -28.9396 3.26226 -3.97195 GPRESSAVG: 1647400 0.451764 -12.4643 -28.5384 -13.7545 10.6035 3.31707 -31.2849 2.97286 -3.71958 TIMING: 1647400 CPU: 5208.79, 0.00314933/step Wall: 5208.79, 0.00314933/step, 2.9329 hours remaining, 236.164062 MB of memory in use. ENERGY: 1647400 3962.2695 20561.1751 14586.4587 232.5804 -203353.6229 2781.5102 0.0000 0.0000 51802.6113 -109427.0177 297.7103 -161229.6290 -109065.2297 299.0318 -134.6448 -106.9244 761213.4208 2.5593 2.4452 PRESSURE: 1647600 -339.013 -154.847 -187.968 -154.847 235.35 0.00974239 -187.968 0.00954647 379.329 GPRESSURE: 1647600 -270.756 -199.03 -253.883 -157.123 303.443 -21.2709 -102.181 14.8584 317.562 PRESSAVG: 1647600 -25.3435 -16.3915 -3.60432 -16.3915 10.6211 14.699 -3.6043 14.6989 -13.4646 GPRESSAVG: 1647600 -25.4137 -16.9017 -5.16122 -16.8195 9.26702 16.5201 -2.72191 16.3669 -12.6611 TIMING: 1647600 CPU: 5209.42, 0.00313969/step Wall: 5209.42, 0.00313969/step, 2.92375 hours remaining, 236.164062 MB of memory in use. ENERGY: 1647600 3920.7976 20602.8107 14531.7078 239.5552 -203467.8676 2915.7722 0.0000 0.0000 51884.8419 -109372.3821 298.1829 -161257.2240 -109014.8787 298.8279 91.8887 116.7497 761479.2777 -9.3957 -9.6026 PRESSURE: 1647800 -163.373 173.978 -56.89 173.978 -64.676 47.1217 -56.8907 47.1211 -169.75 GPRESSURE: 1647800 -146.463 195.42 -28.2209 115.617 7.60571 -18.4109 -130.707 89.3013 -183.146 PRESSAVG: 1647800 -13.2236 -32.3754 35.3723 -32.3754 62.0077 -26.9017 35.3724 -26.9017 -3.39524 GPRESSAVG: 1647800 -13.205 -31.3422 36.6466 -34.459 61.991 -28.9273 33.7116 -27.0512 -3.9054 TIMING: 1647800 CPU: 5210.05, 0.00314574/step Wall: 5210.05, 0.00314574/step, 2.92921 hours remaining, 236.164062 MB of memory in use. ENERGY: 1647800 3974.1209 20642.0543 14456.1997 250.6503 -203139.2277 2146.1842 0.0000 0.0000 52066.7129 -109603.3053 299.2281 -161670.0182 -109237.8622 298.7301 -132.5995 -107.3345 760326.5843 15.1296 14.9602 PRESSURE: 1648000 245.907 -45.9785 250.215 -45.9786 1.78437 141.008 250.214 141.008 -9.93065 GPRESSURE: 1648000 208.533 25.0512 234.292 -105.006 70.7718 130.181 173.606 104.851 22.6306 PRESSAVG: 1648000 -83.0663 -33.8536 -2.577 -33.8536 63.195 18.3454 -2.57697 18.3455 -21.0182 GPRESSAVG: 1648000 -85.1776 -34.3891 -3.23423 -31.288 64.3311 19.2098 -2.85234 16.2964 -20.6175 TIMING: 1648000 CPU: 5210.68, 0.00314941/step Wall: 5210.68, 0.00314941/step, 2.93245 hours remaining, 236.164062 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: 1648000 3949.1167 20576.7718 14597.0701 252.3676 -203002.9605 2431.0436 0.0000 0.0000 52016.2766 -109180.3141 298.9383 -161196.5907 -108814.1854 298.8655 79.2535 100.6453 761594.6629 -13.6298 -13.8213 PRESSURE: 1648200 15.6039 -190.628 128.973 -190.628 52.8942 237.335 128.972 237.336 -0.153952 GPRESSURE: 1648200 11.1885 -105.053 155.73 -130.806 111.908 258.94 91.5607 223.539 41.5944 PRESSAVG: 1648200 -23.7112 -2.65927 10.0358 -2.65927 20.8153 20.3731 10.0358 20.3731 16.7908 GPRESSAVG: 1648200 -23.1732 -4.15294 9.95887 -3.30254 19.4214 20.9061 11.1396 20.8419 17.6388 TIMING: 1648200 CPU: 5211.31, 0.00315406/step Wall: 5211.31, 0.00315406/step, 2.93661 hours remaining, 236.164062 MB of memory in use. ENERGY: 1648200 3883.2810 20544.2701 14588.3484 245.0360 -203192.3888 2474.5701 0.0000 0.0000 52300.3709 -109156.5122 300.5710 -161456.8831 -108787.1740 299.8679 22.7814 54.8969 761336.7185 4.6316 4.6290 LDB: ============= START OF LOAD BALANCING ============== 5223.84 LDB: ============== END OF LOAD BALANCING =============== 5223.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5223.84 LDB: ============= START OF LOAD BALANCING ============== 5224.15 LDB: Largest compute 7053 load 0.030928 is 15.8% of average load 0.195427 LDB: Average compute 0.004381 is 2.2% of average load 0.195427 LDB: TIME 5224.16 LOAD: AVG 0.195427 MAX 0.214903 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.195 MB LDB: TIME 5224.16 LOAD: AVG 0.195427 MAX 0.214903 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: TIME 5224.16 LOAD: AVG 0.195427 MAX 0.214903 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: ============== END OF LOAD BALANCING =============== 5224.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5224.16 PRESSURE: 1648400 -85.3054 228.016 -186.062 228.016 0.551528 54.6261 -186.061 54.6249 122.521 GPRESSURE: 1648400 -80.6394 162.83 -168.93 207.931 -3.73721 -39.3351 -205.43 40.2122 219.11 PRESSAVG: 1648400 -21.7151 -28.6984 31.2945 -28.6984 32.5291 69.2208 31.2945 69.2208 -18.9406 GPRESSAVG: 1648400 -20.3406 -28.3915 32.789 -27.3438 32.4478 68.0063 31.7781 71.7706 -20.196 TIMING: 1648400 CPU: 5211.95, 0.0031897/step Wall: 5211.95, 0.0031897/step, 2.96961 hours remaining, 235.710938 MB of memory in use. ENERGY: 1648400 3989.6873 20622.1046 14545.8096 237.0453 -203717.6326 3075.6529 0.0000 0.0000 52084.3267 -109163.0061 299.3293 -161247.3328 -108807.6711 299.5128 12.5891 44.9113 761457.5681 -2.7089 -2.6963 PRESSURE: 1648600 -26.9093 -218.962 -142.62 -218.962 231.406 -15.5751 -142.62 -15.5752 -121.981 GPRESSURE: 1648600 -66.2625 -225.063 -165.699 -138.117 329.912 -7.71831 -120.918 33.055 -120.288 PRESSAVG: 1648600 17.896 -18.0771 -16.3887 -18.0771 8.66099 11.6561 -16.3887 11.6561 3.25415 GPRESSAVG: 1648600 16.7806 -18.6485 -17.9924 -17.5324 9.04845 13.3937 -17.7225 9.11946 3.79111 TIMING: 1648600 CPU: 5212.58, 0.00314016/step Wall: 5212.58, 0.00314016/step, 2.92332 hours remaining, 235.781250 MB of memory in use. ENERGY: 1648600 3935.3354 20693.4267 14538.6717 229.0636 -203511.9367 2665.6274 0.0000 0.0000 52192.2696 -109257.5423 299.9497 -161449.8119 -108901.7703 299.8178 27.5055 47.7873 761274.0090 9.9371 9.8734 PRESSURE: 1648800 -267.711 240.84 -88.3012 240.841 -80.0118 -152.161 -88.3007 -152.162 146.535 GPRESSURE: 1648800 -261.821 178.454 -15.3555 178.89 5.67988 -40.1625 -55.4204 -219.426 133.432 PRESSAVG: 1648800 -3.77883 20.5679 -29.6794 20.5679 6.98508 27.3471 -29.6794 27.3471 2.92653 GPRESSAVG: 1648800 -2.61778 22.9824 -30.0439 18.1868 7.93048 26.1446 -28.7547 28.6166 0.917957 TIMING: 1648800 CPU: 5213.2, 0.00313442/step Wall: 5213.2, 0.00313442/step, 2.9178 hours remaining, 235.781250 MB of memory in use. ENERGY: 1648800 3958.7983 20571.7348 14646.8781 262.6892 -203246.8938 2407.0742 0.0000 0.0000 52227.5518 -109172.1673 300.1525 -161399.7191 -108816.4075 299.4682 -67.0626 -40.9031 759778.8668 2.0443 2.0769 PRESSURE: 1649000 -60.1529 -211.129 -66.0895 -211.129 122.601 -208.647 -66.0885 -208.647 -189.211 GPRESSURE: 1649000 -122.495 -164.016 -100.354 -151.777 208.966 -172.124 -204.434 -212.346 -119.732 PRESSAVG: 1649000 -10.093 7.4803 41.8027 7.48028 19.5383 -34.6144 41.8028 -34.6144 0.920061 GPRESSAVG: 1649000 -11.0485 6.59413 42.2047 8.70022 19.6828 -34.1901 41.8022 -35.4032 2.34594 TIMING: 1649000 CPU: 5213.83, 0.00313675/step Wall: 5213.83, 0.00313675/step, 2.91979 hours remaining, 235.781250 MB of memory in use. ENERGY: 1649000 3917.2988 20474.5448 14564.3953 258.7814 -203660.0833 2833.9961 0.0000 0.0000 52110.8705 -109500.1964 299.4819 -161611.0670 -109136.1715 298.5147 -42.2544 -11.0868 760072.5971 3.4551 3.6601 PRESSURE: 1649200 -94.1301 -140.692 -112.777 -140.692 -219.048 -189.74 -112.778 -189.739 -200.08 GPRESSURE: 1649200 -11.9782 -128.955 -58.8148 -137.586 -237.285 -157.064 -8.66298 -204.915 -184.74 PRESSAVG: 1649200 -5.80181 -24.9347 -3.88694 -24.9347 5.53007 -28.6128 -3.88695 -28.6126 -15.201 GPRESSAVG: 1649200 -6.6061 -23.403 -4.43359 -26.3314 4.54 -28.6228 -3.29695 -30.6245 -13.8274 TIMING: 1649200 CPU: 5214.46, 0.00315186/step Wall: 5214.46, 0.00315186/step, 2.93368 hours remaining, 235.781250 MB of memory in use. ENERGY: 1649200 3956.6871 20513.3174 14637.0546 248.0012 -202943.2514 2225.0415 0.0000 0.0000 51779.5649 -109583.5847 297.5779 -161363.1496 -109215.7439 299.3898 -171.0859 -144.6679 760252.0047 -5.1576 -5.2978 PRESSURE: 1649400 -48.2058 -41.7377 20.281 -41.7378 98.6791 112.1 20.2812 112.098 -0.961349 GPRESSURE: 1649400 9.17631 -35.0251 84.4274 -13.8328 111.661 57.4585 46.7132 150.074 9.4209 PRESSAVG: 1649400 31.5785 2.16699 19.5792 2.16702 -5.6317 2.10351 19.5791 2.10346 -12.4182 GPRESSAVG: 1649400 33.2187 0.603019 19.506 1.84286 -4.54994 0.812669 19.4137 3.43527 -14.6758 TIMING: 1649400 CPU: 5215.09, 0.00316618/step Wall: 5215.09, 0.00316618/step, 2.94683 hours remaining, 235.925781 MB of memory in use. ENERGY: 1649400 3950.9521 20511.1177 14530.4444 245.5366 -203350.5167 2639.6474 0.0000 0.0000 51957.3688 -109515.4498 298.5997 -161472.8186 -109157.9332 298.8230 16.5040 43.4195 759902.4827 4.5095 4.6643 PRESSURE: 1649600 281.986 206.834 -137.954 206.833 183.086 70.7187 -137.955 70.7185 -33.1527 GPRESSURE: 1649600 272.314 134.788 -191.385 178.73 207.593 76.657 -105.47 88.5586 48.5607 PRESSAVG: 1649600 36.6701 -3.78915 14.7301 -3.78912 -32.3364 -13.2081 14.7301 -13.208 -2.27094 GPRESSAVG: 1649600 35.4304 -3.15629 15.2036 -2.45444 -33.2907 -11.973 15.3614 -12.3915 -0.59543 TIMING: 1649600 CPU: 5215.73, 0.00317052/step Wall: 5215.73, 0.00317051/step, 2.95069 hours remaining, 235.925781 MB of memory in use. ENERGY: 1649600 3999.7517 20444.7562 14487.1939 241.6753 -203797.3395 2759.7980 0.0000 0.0000 52205.0374 -109659.1270 300.0231 -161864.1644 -109303.5674 299.3583 143.9731 176.1561 760723.2612 0.6876 0.5148 PRESSURE: 1649800 132.93 28.5814 -99.0613 28.5815 -38.3674 -114.152 -99.0625 -114.151 187.811 GPRESSURE: 1649800 106.315 -36.3286 -13.2924 96.0838 27.4673 -49.6724 -107.945 -63.2784 219.133 PRESSAVG: 1649800 36.3801 18.3514 -19.5888 18.3515 -59.1864 29.5879 -19.5889 29.5879 9.33289 GPRESSAVG: 1649800 36.2674 15.6385 -17.7932 18.454 -58.4756 29.3387 -20.563 29.9891 8.6851 TIMING: 1649800 CPU: 5216.36, 0.00314462/step Wall: 5216.36, 0.00314462/step, 2.92642 hours remaining, 235.925781 MB of memory in use. ENERGY: 1649800 3882.9318 20447.1150 14459.2326 244.7821 -203695.3757 2768.0324 0.0000 0.0000 52060.2601 -109833.0216 299.1910 -161893.2818 -109467.9590 298.3202 94.1245 117.6386 761649.6257 -4.4911 -4.5077 PRESSURE: 1650000 -299.373 -229.234 323.861 -229.233 -316.115 176.718 323.861 176.717 -69.6026 GPRESSURE: 1650000 -329.252 -96.1083 295.194 -307.124 -239.343 286.391 235.641 144.727 -30.0181 PRESSAVG: 1650000 -64.9588 -37.3128 -6.4267 -37.3128 74.9132 -42.4179 -6.42668 -42.4179 4.71286 GPRESSAVG: 1650000 -64.4471 -34.3899 -6.07642 -35.4503 73.9702 -41.8666 -7.3064 -43.175 4.69142 TIMING: 1650000 CPU: 5216.99, 0.00317637/step Wall: 5216.99, 0.00317637/step, 2.95579 hours remaining, 235.925781 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: 1650000 3971.4752 20485.1596 14518.0934 252.6976 -203291.5124 2544.5509 0.0000 0.0000 51999.0785 -109520.4572 298.8394 -161519.5357 -109152.0308 298.9344 -228.3633 -199.5377 760713.6635 4.8891 4.7382 PRESSURE: 1650200 -157.19 155.514 -26.8842 155.514 -96.3141 -160.609 -26.8842 -160.608 -379.088 GPRESSURE: 1650200 -153.846 178.269 34.724 174.297 -54.1482 -182.532 -149.5 -182.887 -333.203 PRESSAVG: 1650200 -58.0145 -9.72138 63.2084 -9.72136 36.9246 -4.68151 63.2084 -4.68157 2.95059 GPRESSAVG: 1650200 -58.0977 -7.8955 61.129 -11.7886 36.3894 -5.73913 65.0596 -3.66604 3.59522 TIMING: 1650200 CPU: 5217.63, 0.00317527/step Wall: 5217.63, 0.00317527/step, 2.95458 hours remaining, 235.925781 MB of memory in use. ENERGY: 1650200 4037.8420 20605.0797 14553.0776 254.6726 -203833.2381 2905.3220 0.0000 0.0000 52130.2662 -109346.9780 299.5934 -161477.2442 -108987.1890 298.9170 -210.8642 -180.3992 762078.7225 -6.0464 -6.0377 PRESSURE: 1650400 14.91 7.83455 -238.875 7.8342 41.4543 -135.616 -238.875 -135.616 -319.887 GPRESSURE: 1650400 123.74 -61.9511 -206.307 -82.9429 22.0317 -75.6649 -223.275 -204.969 -328.7 PRESSAVG: 1650400 21.7685 -3.3334 -15.4459 -3.33336 1.13282 18.342 -15.4459 18.342 12.6162 GPRESSAVG: 1650400 20.5477 -4.47855 -13.7293 -2.8198 1.7405 18.5746 -17.1155 18.5292 13.2449 TIMING: 1650400 CPU: 5218.26, 0.00316263/step Wall: 5218.26, 0.00316263/step, 2.94265 hours remaining, 235.925781 MB of memory in use. ENERGY: 1650400 4055.6111 20387.9863 14636.1219 269.4082 -203055.9105 2507.5427 0.0000 0.0000 52006.3121 -109192.9282 298.8810 -161199.2404 -108825.7754 299.9537 -87.8409 -60.9761 760590.1642 11.8392 11.8444 PRESSURE: 1650600 -122.303 104.581 -287.115 104.581 -211.644 37.2464 -287.115 37.2466 15.5891 GPRESSURE: 1650600 -57.2561 -54.0628 -290.78 312.349 -234.04 50.59 -262.568 41.9259 66.928 PRESSAVG: 1650600 -32.7597 -29.8407 -78.7298 -29.8407 -4.05263 15.7212 -78.7298 15.7212 -6.31921 GPRESSAVG: 1650600 -32.319 -30.8652 -79.3579 -28.7711 -4.29666 16.9826 -77.8498 14.5838 -6.8192 TIMING: 1650600 CPU: 5218.89, 0.00315375/step Wall: 5218.89, 0.00315375/step, 2.93422 hours remaining, 235.914062 MB of memory in use. ENERGY: 1650600 4098.6341 20575.0313 14557.5087 284.1452 -203676.1205 2824.3662 0.0000 0.0000 52005.2730 -109331.1619 298.8750 -161336.4350 -108977.9820 299.5766 -106.1194 -74.7895 759969.8875 -14.3772 -14.4783 PRESSURE: 1650800 -52.4887 -61.3868 60.973 -61.3868 -220.601 154.65 60.9734 154.649 69.5957 GPRESSURE: 1650800 -85.4633 41.4571 84.1233 -148.306 -179.32 186.618 26.8274 102.091 136.621 PRESSAVG: 1650800 8.86553 -39.094 -28.3868 -39.094 -13.1071 44.441 -28.3869 44.4409 7.09065 GPRESSAVG: 1650800 9.22008 -39.1955 -29.6373 -40.0864 -12.8501 43.816 -28.4795 44.1204 6.44653 TIMING: 1650800 CPU: 5219.52, 0.00316901/step Wall: 5219.52, 0.00316901/step, 2.94824 hours remaining, 235.914062 MB of memory in use. ENERGY: 1650800 4012.0615 20483.4042 14539.5463 242.0036 -203481.4380 2680.0984 0.0000 0.0000 52302.7551 -109221.5689 300.5847 -161524.3240 -108859.9832 299.7329 -67.8314 -42.7207 762161.6784 0.9497 0.9389 PRESSURE: 1651000 -176.831 -169.994 81.9546 -169.995 -185.274 236.889 81.9545 236.889 -359.727 GPRESSURE: 1651000 -94.828 -176.753 21.0266 -251.357 -188.109 299.133 98.5344 65.3214 -368.726 PRESSAVG: 1651000 14.7344 38.1175 12.2811 38.1175 -19.1487 -4.98518 12.2812 -4.9852 38.1461 GPRESSAVG: 1651000 14.4669 37.2426 12.799 38.4807 -19.1283 -5.35099 14.0462 -3.58203 38.2161 TIMING: 1651000 CPU: 5220.16, 0.00317715/step Wall: 5220.16, 0.00317715/step, 2.95563 hours remaining, 235.914062 MB of memory in use. ENERGY: 1651000 4024.9953 20575.9857 14471.7829 261.5864 -203202.2620 2691.9479 0.0000 0.0000 51743.4900 -109432.4737 297.3705 -161175.9637 -109073.7683 299.5902 -240.6110 -217.2210 762481.0310 11.2440 11.1849 PRESSURE: 1651200 -239.714 -60.098 -75.7239 -60.0984 308.476 -224.938 -75.7251 -224.938 132.925 GPRESSURE: 1651200 -168.153 -82.4227 -56.3293 -34.5239 289.679 -221.275 -200.894 -194.84 155.232 PRESSAVG: 1651200 -7.98545 -6.48406 25.1707 -6.48407 -51.5455 40.6193 25.1707 40.6193 12.7837 GPRESSAVG: 1651200 -8.03428 -6.62258 24.1832 -4.84556 -52.637 40.5218 23.1652 40.0959 13.9012 TIMING: 1651200 CPU: 5220.79, 0.00317873/step Wall: 5220.79, 0.00317873/step, 2.95692 hours remaining, 235.925781 MB of memory in use. ENERGY: 1651200 4030.6853 20594.4678 14518.8499 258.1517 -203743.9580 2984.1201 0.0000 0.0000 51975.2801 -109382.4032 298.7026 -161357.6832 -109024.1136 299.3070 67.2293 92.2529 761425.1336 -15.5824 -15.5900 PRESSURE: 1651400 -29.4716 155.79 86.7917 155.79 77.0108 212.133 86.7913 212.134 -25.5736 GPRESSURE: 1651400 70.3329 127.422 41.0653 57.2736 79.009 93.4398 131.156 281.817 -46.7797 PRESSAVG: 1651400 -36.3799 -2.56057 -8.72796 -2.56055 -16.1304 56.432 -8.72798 56.432 -7.96548 GPRESSAVG: 1651400 -35.3754 -3.56757 -8.55424 -3.13338 -15.2666 56.5269 -9.34413 56.4726 -10.0457 TIMING: 1651400 CPU: 5221.43, 0.00317416/step Wall: 5221.43, 0.00317416/step, 2.9525 hours remaining, 235.925781 MB of memory in use. ENERGY: 1651400 3917.6932 20482.1570 14594.4029 239.4501 -203568.1384 2827.0073 0.0000 0.0000 52190.8766 -109316.5513 299.9417 -161507.4278 -108945.7488 298.7100 7.3219 34.1874 762506.7604 -20.1586 -20.2292 PRESSURE: 1651600 -185.144 191.95 -174.319 191.95 296.656 122.557 -174.319 122.558 -153.002 GPRESSURE: 1651600 -69.6427 177.238 -95.8817 122.813 189.129 112.392 -94.2689 95.4313 -97.3255 PRESSAVG: 1651600 54.6149 14.0274 -30.7306 14.0274 17.0351 51.0102 -30.7305 51.0102 20.5445 GPRESSAVG: 1651600 54.2449 13.1319 -30.2328 13.2211 16.6824 51.7578 -28.253 51.1859 20.9372 TIMING: 1651600 CPU: 5222.07, 0.00317672/step Wall: 5222.07, 0.00317672/step, 2.9547 hours remaining, 235.925781 MB of memory in use. ENERGY: 1651600 3959.6887 20606.7930 14504.5664 263.9652 -203672.2048 2894.8344 0.0000 0.0000 52186.7130 -109255.6442 299.9178 -161442.3571 -108887.9823 299.4085 -13.8298 7.3869 762841.8219 30.7315 30.6215 PRESSURE: 1651800 -203.367 -143.801 -4.4075 -143.801 -53.9827 -255.994 -4.40732 -255.995 212.245 GPRESSURE: 1651800 -280.173 -95.6164 45.2639 -43.8953 70.5569 -288.06 -41.3618 -326.312 257.128 PRESSAVG: 1651800 -10.6079 -9.34669 19.1093 -9.3467 15.1716 -27.0882 19.1093 -27.0883 1.41996 GPRESSAVG: 1651800 -13.0325 -10.4935 21.4156 -9.52026 17.0496 -26.3119 17.4325 -26.8467 1.98951 TIMING: 1651800 CPU: 5222.7, 0.00315239/step Wall: 5222.7, 0.00315239/step, 2.9319 hours remaining, 235.925781 MB of memory in use. ENERGY: 1651800 4012.7536 20655.7023 14475.0207 260.6391 -202973.5688 2542.4246 0.0000 0.0000 51894.5042 -109132.5242 298.2384 -161027.0284 -108769.4681 299.9334 -15.0348 15.8374 764154.9876 1.9946 2.0022 PRESSURE: 1652000 -82.6384 -28.1479 -104.874 -28.1482 -374.266 -284.134 -104.874 -284.135 261.958 GPRESSURE: 1652000 -27.3816 -99.2166 -111.357 -65.5057 -367.274 -242.793 -27.101 -217.873 295.389 PRESSAVG: 1652000 11.3873 -22.7946 19.6344 -22.7946 -15.0811 -48.0543 19.6344 -48.0543 8.74961 GPRESSAVG: 1652000 12.3354 -21.2099 18.0595 -23.8395 -16.1484 -49.3375 20.1919 -47.7761 9.16782 TIMING: 1652000 CPU: 5223.32, 0.00314473/step Wall: 5223.32, 0.00314473/step, 2.9246 hours remaining, 235.925781 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: 1652000 4018.8295 20605.3626 14504.7049 240.9544 -203326.6089 2700.1752 0.0000 0.0000 52104.8877 -109151.6946 299.4475 -161256.5823 -108784.3467 299.7326 -64.9823 -33.0888 761460.8252 1.6853 1.7850 PRESSURE: 1652200 172.119 -80.165 -73.2488 -80.1641 -25.059 -393.387 -73.2487 -393.388 -277.602 GPRESSURE: 1652200 259.177 -115.138 -137.398 -21.3978 -44.1828 -277.314 -47.0259 -420.755 -263.932 PRESSAVG: 1652200 57.3513 -54.2713 -68.5581 -54.2713 -39.9648 -79.1169 -68.5581 -79.1169 -28.8265 GPRESSAVG: 1652200 58.0398 -54.5875 -68.5629 -53.5093 -39.8168 -78.5451 -67.2775 -79.7386 -29.3125 TIMING: 1652200 CPU: 5223.96, 0.00315291/step Wall: 5223.96, 0.00315291/step, 2.93203 hours remaining, 235.914062 MB of memory in use. ENERGY: 1652200 3971.8638 20737.4051 14515.6671 264.6777 -203335.7557 2595.3258 0.0000 0.0000 52071.0951 -109179.7211 299.2533 -161250.8163 -108816.1769 299.6111 -43.5140 -16.3126 761973.2596 -3.8133 -3.6965 LDB: ============= START OF LOAD BALANCING ============== 5236.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5236.49 LDB: =============== DONE WITH MIGRATION ================ 5236.49 LDB: ============= START OF LOAD BALANCING ============== 5236.8 LDB: Largest compute 7032 load 0.031343 is 16.0% of average load 0.195493 LDB: Average compute 0.004378 is 2.2% of average load 0.195493 LDB: TIME 5236.81 LOAD: AVG 0.195493 MAX 0.213812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.156 MB LDB: TIME 5236.81 LOAD: AVG 0.195493 MAX 0.213812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: TIME 5236.81 LOAD: AVG 0.195493 MAX 0.213812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.156 MB LDB: ============== END OF LOAD BALANCING =============== 5236.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5236.81 PRESSURE: 1652400 40.5403 29.0707 89.5684 29.0708 160.858 59.3306 89.5686 59.3305 23.9739 GPRESSURE: 1652400 104.969 104.787 124.691 22.6587 205.379 30.9976 52.2817 122.852 16.7176 PRESSAVG: 1652400 8.10595 5.72491 -62.637 5.72483 -12.5142 -41.4962 -62.6369 -41.4962 1.92125 GPRESSAVG: 1652400 7.49286 6.3399 -63.6549 5.29941 -12.4662 -41.461 -63.8178 -44.2696 1.71432 TIMING: 1652400 CPU: 5224.6, 0.00320479/step Wall: 5224.6, 0.00320479/step, 2.9801 hours remaining, 235.441406 MB of memory in use. ENERGY: 1652400 3986.3506 20603.9188 14535.4980 242.5676 -202989.0574 2477.8158 0.0000 0.0000 52005.1352 -109137.7714 298.8742 -161142.9066 -108771.9726 299.2237 75.1241 109.0220 763000.7059 -0.8290 -1.0863 PRESSURE: 1652600 -113 150.108 41.4345 150.108 -150.605 -33.5077 41.4344 -33.508 29.9973 GPRESSURE: 1652600 -162.874 22.0948 87.6386 110.22 -125.136 24.1448 12.6403 -7.93514 153.727 PRESSAVG: 1652600 22.0889 -29.5254 0.982691 -29.5255 0.595672 -74.0839 0.982676 -74.084 18.6362 GPRESSAVG: 1652600 22.1706 -28.125 3.82815 -30.2301 1.02959 -73.8825 0.0799823 -71.0328 18.2422 TIMING: 1652600 CPU: 5225.22, 0.00312979/step Wall: 5225.22, 0.00312979/step, 2.91019 hours remaining, 235.656250 MB of memory in use. ENERGY: 1652600 4083.0751 20452.7570 14503.9377 221.6411 -202987.9759 2704.3141 0.0000 0.0000 51771.8439 -109250.4069 297.5335 -161022.2508 -108888.0660 299.1305 -77.8693 -44.7609 762775.4928 13.7736 13.8141 PRESSURE: 1652800 -122.393 -4.9493 51.8681 -4.9495 -276.753 2.11223 51.8676 2.11305 -0.0167099 GPRESSURE: 1652800 -9.7963 56.8916 -22.7942 -69.2454 -253.107 95.4075 -9.25098 -238.735 -67.8472 PRESSAVG: 1652800 8.78898 -24.5156 17.8665 -24.5156 -26.8871 -28.9864 17.8665 -28.9864 14.1426 GPRESSAVG: 1652800 9.04542 -26.4149 14.4158 -23.6446 -28.0446 -29.5864 19.8572 -31.5735 14.7598 TIMING: 1652800 CPU: 5225.85, 0.00313604/step Wall: 5225.85, 0.00313604/step, 2.91582 hours remaining, 235.656250 MB of memory in use. ENERGY: 1652800 3935.6490 20478.1119 14501.3855 247.9654 -203489.9533 2796.2350 0.0000 0.0000 52303.8995 -109226.7071 300.5912 -161530.6066 -108856.8948 299.6440 -133.0545 -110.2502 761809.7400 -1.3185 -1.4131 PRESSURE: 1653000 116.333 -128.04 -64.5966 -128.039 -354.94 177.082 -64.5969 177.082 290.212 GPRESSURE: 1653000 85.0079 -111.594 -2.53037 -93.8701 -250.83 118.172 -126.206 121.935 312.166 PRESSAVG: 1653000 72.9415 -1.01824 -44.6963 -1.01819 -24.6762 4.94057 -44.6962 4.94062 -2.31035 GPRESSAVG: 1653000 72.3055 -0.986968 -43.0686 0.61265 -24.3801 4.11753 -46.9241 5.88179 -1.98819 TIMING: 1653000 CPU: 5226.48, 0.0031497/step Wall: 5226.48, 0.0031497/step, 2.92834 hours remaining, 235.656250 MB of memory in use. ENERGY: 1653000 3963.0514 20461.2350 14517.7356 271.1170 -203399.7157 2608.8900 0.0000 0.0000 52092.5594 -109485.1274 299.3767 -161577.6868 -109124.3145 299.2009 17.2016 48.7812 762781.4262 15.3183 15.3124 PRESSURE: 1653200 42.9887 57.5923 34.4422 57.5914 79.9634 242.937 34.4422 242.938 -219.403 GPRESSURE: 1653200 45.2497 93.1874 38.3776 143.509 163.417 199.887 89.1448 276.316 -213.956 PRESSAVG: 1653200 80.7631 -41.2827 -50.383 -41.2826 -95.5358 58.9439 -50.3831 58.9439 -13.6286 GPRESSAVG: 1653200 78.5961 -41.0956 -49.7495 -41.6906 -93.6275 59.9645 -48.7069 59.2068 -12.982 TIMING: 1653200 CPU: 5227.11, 0.0031418/step Wall: 5227.11, 0.0031418/step, 2.92083 hours remaining, 235.656250 MB of memory in use. ENERGY: 1653200 4010.6989 20390.1198 14504.2920 243.6444 -203532.5825 2781.8078 0.0000 0.0000 51983.2381 -109618.7816 298.7484 -161602.0197 -109257.3257 298.3506 -32.1504 -1.7633 763826.9012 -9.4671 -9.3378 PRESSURE: 1653400 144.335 106.788 -248.048 106.787 231.214 -123.256 -248.048 -123.257 268.86 GPRESSURE: 1653400 223.269 63.8651 -211.726 252.811 211.561 -210.391 -267.817 -28.2296 305.709 PRESSAVG: 1653400 67.449 -0.236588 -45.7382 -0.236587 -78.814 7.94759 -45.7382 7.94766 -4.87457 GPRESSAVG: 1653400 69.9768 1.53669 -47.2634 -2.53199 -80.0708 9.33982 -44.1801 7.18226 -5.84483 TIMING: 1653400 CPU: 5227.74, 0.0031594/step Wall: 5227.74, 0.0031594/step, 2.93702 hours remaining, 235.656250 MB of memory in use. ENERGY: 1653400 3948.6173 20390.9381 14441.3686 245.2209 -203468.0690 2996.9523 0.0000 0.0000 51735.2946 -109709.6773 297.3234 -161444.9719 -109348.9459 298.1792 214.8033 246.8462 763161.6561 -5.4132 -5.3129 PRESSURE: 1653600 97.1437 0.82366 104.774 0.823404 -80.8536 87.8825 104.774 87.8831 -305.628 GPRESSURE: 1653600 118.582 6.45873 108.436 -27.091 -63.498 45.7781 27.1397 95.0898 -255.365 PRESSAVG: 1653600 94.9334 -19.1566 -11.5354 -19.1567 -72.6594 -57.9211 -11.5355 -57.9211 -10.314 GPRESSAVG: 1653600 94.0555 -22.4053 -11.4978 -16.4203 -73.0063 -59.0913 -13.6136 -56.1937 -9.50126 TIMING: 1653600 CPU: 5228.37, 0.00315996/step Wall: 5228.37, 0.00315996/step, 2.93736 hours remaining, 235.656250 MB of memory in use. ENERGY: 1653600 4042.5008 20446.2016 14566.8914 237.4858 -203456.0904 2688.3043 0.0000 0.0000 51894.7391 -109579.9675 298.2398 -161474.7065 -109231.5981 298.1564 -96.4459 -66.7604 761108.9470 3.9867 3.8493 PRESSURE: 1653800 77.32 -84.0372 153.845 -84.0376 270.316 165.985 153.845 165.985 211.373 GPRESSURE: 1653800 176.842 -50.0884 221.293 -90.567 251.406 138.734 160.49 263.517 217.812 PRESSAVG: 1653800 69.3782 0.263177 -35.48 0.263175 -66.5881 -11.0724 -35.4801 -11.0724 11.9656 GPRESSAVG: 1653800 69.6963 2.4464 -34.5018 -2.42377 -66.8966 -11.4339 -36.1393 -12.6341 12.4155 TIMING: 1653800 CPU: 5229, 0.00314656/step Wall: 5229, 0.00314656/step, 2.92473 hours remaining, 235.656250 MB of memory in use. ENERGY: 1653800 3975.0742 20530.8657 14556.1635 251.7154 -203519.5213 2879.2365 0.0000 0.0000 51756.5193 -109569.9467 297.4454 -161326.4660 -109221.8976 298.3805 186.3364 215.3533 760084.2363 4.9186 5.0717 PRESSURE: 1654000 119.45 -13.0066 -189.692 -13.007 300.891 225.885 -189.692 225.885 78.6772 GPRESSURE: 1654000 184.695 74.853 -183.145 -115.608 292.804 211.073 -241.832 212.121 117.715 PRESSAVG: 1654000 -11.1806 -20.8417 -40.2119 -20.8418 -22.3163 0.91477 -40.2118 0.914806 29.6199 GPRESSAVG: 1654000 -11.9158 -21.3266 -40.6244 -20.1288 -21.4814 0.378339 -38.815 2.80821 29.361 TIMING: 1654000 CPU: 5229.63, 0.00315907/step Wall: 5229.63, 0.00315907/step, 2.93618 hours remaining, 235.656250 MB of memory 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 3892.3569 20530.9924 14474.9086 238.7163 -203631.4297 2925.0882 0.0000 0.0000 51932.0177 -109637.3496 298.4540 -161569.3673 -109288.0883 298.3997 166.3393 198.4045 762172.7479 -1.2923 -1.3454 PRESSURE: 1654200 212.586 99.6237 117.842 99.6239 -126.756 -187.979 117.843 -187.98 -2.52272 GPRESSURE: 1654200 242.337 57.742 79.27 82.3983 -111.755 -169.97 186.785 -107.637 25.5718 PRESSAVG: 1654200 -8.94448 -71.6255 57.3001 -71.6255 19.5731 -9.54708 57.3002 -9.5471 6.71697 GPRESSAVG: 1654200 -7.25396 -72.5982 58.7433 -71.1079 18.6598 -9.04158 57.2322 -11.1975 5.45051 TIMING: 1654200 CPU: 5230.26, 0.00313694/step Wall: 5230.26, 0.00313694/step, 2.91544 hours remaining, 235.656250 MB of memory in use. ENERGY: 1654200 3913.3982 20591.0266 14487.1270 252.4493 -203085.5286 2390.7146 0.0000 0.0000 51782.1792 -109668.6337 297.5929 -161450.8130 -109321.7788 298.1511 27.7692 52.0513 762124.1894 5.7819 5.6188 PRESSURE: 1654400 207.852 69.0666 -44.3042 69.067 404.938 -56.0366 -44.304 -56.0365 -49.8805 GPRESSURE: 1654400 235.992 157.729 -46.1334 11.6106 446.46 -81.3894 1.61383 -191.617 -24.9063 PRESSAVG: 1654400 14.4619 9.83641 -6.77561 9.83636 -3.69182 -48.6192 -6.77565 -48.6191 2.41579 GPRESSAVG: 1654400 14.5147 11.7743 -7.07855 8.35849 -3.76676 -47.125 -7.78025 -49.0327 2.53397 TIMING: 1654400 CPU: 5230.89, 0.00314245/step Wall: 5230.89, 0.00314245/step, 2.92039 hours remaining, 235.656250 MB of memory in use. ENERGY: 1654400 3959.8325 20333.8887 14495.1876 231.3662 -203465.5081 2730.3846 0.0000 0.0000 51928.6340 -109786.2144 298.4346 -161714.8485 -109419.7682 297.6459 187.6364 219.1820 760324.6120 4.3953 4.4273 PRESSURE: 1654600 -84.6378 138.33 154.052 138.329 379.167 -72.8069 154.052 -72.8064 -315.17 GPRESSURE: 1654600 -70.1922 47.8349 231.018 112.381 418.47 -177.384 255.433 -63.6072 -306.554 PRESSAVG: 1654600 -71.8115 4.02851 -29.9075 4.02846 54.9181 -23.7699 -29.9075 -23.7699 2.24181 GPRESSAVG: 1654600 -73.655 2.71213 -30.223 3.89155 56.7365 -25.7567 -29.5252 -23.6103 1.94589 TIMING: 1654600 CPU: 5231.52, 0.00313933/step Wall: 5231.52, 0.00313933/step, 2.91731 hours remaining, 235.656250 MB of memory in use. ENERGY: 1654600 3984.2614 20410.8450 14504.5288 257.2539 -203182.5931 2692.0027 0.0000 0.0000 51704.9190 -109628.7823 297.1489 -161333.7013 -109277.3180 297.6269 -6.8804 13.9078 761723.0139 -4.8839 -4.9909 PRESSURE: 1654800 -207.594 152.232 -7.20013 152.233 -68.8882 251.307 -7.2001 251.307 337.133 GPRESSURE: 1654800 -140.735 149.93 4.10989 117.791 -100.158 303.999 -78.0056 283.236 373.411 PRESSAVG: 1654800 -21.4557 -15.3562 -20.0797 -15.3562 10.0603 10.6743 -20.0797 10.6744 -10.4341 GPRESSAVG: 1654800 -19.4293 -16.3723 -19.3033 -16.8591 8.52834 11.0116 -19.7002 10.3389 -11.1103 TIMING: 1654800 CPU: 5232.15, 0.00315429/step Wall: 5232.15, 0.00315429/step, 2.93103 hours remaining, 235.656250 MB of memory in use. ENERGY: 1654800 3997.7930 20374.0624 14548.1163 246.2980 -202964.6531 2681.3395 0.0000 0.0000 51750.1027 -109366.9411 297.4086 -161117.0438 -109008.2180 297.7517 20.2170 44.1726 762543.6470 -7.2765 -7.3371 PRESSURE: 1655000 179.538 -81.7366 129.414 -81.7364 -276.165 29.4047 129.415 29.4047 -221.193 GPRESSURE: 1655000 160.37 19.7453 137.31 -150.983 -205.382 78.1521 155.383 35.4034 -172.604 PRESSAVG: 1655000 -2.32008 -102.858 -17.1635 -102.858 -15.5705 -20.2081 -17.1634 -20.2081 0.287408 GPRESSAVG: 1655000 -2.99752 -101.2 -17.6761 -102.17 -15.6983 -18.5767 -15.9049 -18.7041 1.07437 TIMING: 1655000 CPU: 5232.78, 0.00316972/step Wall: 5232.78, 0.00316972/step, 2.9452 hours remaining, 235.656250 MB of memory in use. ENERGY: 1655000 3987.5656 20452.7544 14506.4223 231.4088 -202875.1342 2427.0095 0.0000 0.0000 51777.9472 -109492.0265 297.5686 -161269.9737 -109127.4114 298.4490 -105.9396 -72.5386 762726.1281 -5.8677 -5.8738 PRESSURE: 1655200 -224.643 -63.5201 61.8434 -63.5197 -51.3313 -94.1792 61.8431 -94.1788 -185.929 GPRESSURE: 1655200 -295.621 -76.2556 107.035 17.2966 33.6791 -8.90471 168.396 -26.5998 -108.844 PRESSAVG: 1655200 -12.3322 -44.779 -9.66728 -44.7791 2.21694 -7.25 -9.6673 -7.24994 6.1454 GPRESSAVG: 1655200 -12.5522 -44.9298 -10.0848 -42.3258 2.24817 -8.23772 -10.2387 -7.58633 7.05314 TIMING: 1655200 CPU: 5233.41, 0.0031614/step Wall: 5233.41, 0.0031614/step, 2.93729 hours remaining, 235.656250 MB of memory in use. ENERGY: 1655200 4013.5786 20480.3083 14508.5443 243.6296 -203120.6950 2688.5855 0.0000 0.0000 52091.0507 -109094.9981 299.3680 -161186.0488 -108742.0064 298.6974 -153.9679 -123.5952 761007.2488 -1.3233 -1.0836 PRESSURE: 1655400 231.32 -32.4981 52.3 -32.4983 -32.8772 19.1406 52.3007 19.1416 351.274 GPRESSURE: 1655400 146.438 121.927 29.8053 -96.5896 55.2501 23.9877 -18.2511 -23.1272 428.843 PRESSAVG: 1655400 40.5317 3.25692 -16.9621 3.2569 -81.6199 -29.0041 -16.9621 -29.004 -9.22671 GPRESSAVG: 1655400 40.4279 3.44752 -17.1423 2.25789 -80.9006 -30.9325 -18.037 -27.3332 -9.48556 TIMING: 1655400 CPU: 5234.04, 0.00315561/step Wall: 5234.04, 0.00315561/step, 2.93173 hours remaining, 235.656250 MB of memory in use. ENERGY: 1655400 3921.7053 20465.0020 14527.6767 245.5450 -203196.1561 2578.7127 0.0000 0.0000 52119.1960 -109338.3183 299.5297 -161457.5143 -108983.4833 299.2908 183.2391 210.1770 761175.2268 -16.7716 -16.6527 PRESSURE: 1655600 155.646 4.85341 -232.212 4.85477 99.2208 -29.6148 -232.213 -29.6152 137.438 GPRESSURE: 1655600 148.384 -31.5857 -234.041 25.6159 99.069 -70.0866 -51.4427 16.6996 230.381 PRESSAVG: 1655600 30.5789 -8.97211 -15.1505 -8.97205 -13.1109 -20.2024 -15.1505 -20.2024 9.66662 GPRESSAVG: 1655600 29.6979 -9.74264 -15.3035 -7.68368 -13.2532 -18.2845 -12.2723 -22.2796 10.2325 TIMING: 1655600 CPU: 5234.68, 0.00315602/step Wall: 5234.68, 0.00315602/step, 2.93194 hours remaining, 235.656250 MB of memory in use. ENERGY: 1655600 4032.3012 20416.9631 14560.6694 244.0485 -203312.8108 2695.1293 0.0000 0.0000 52091.5495 -109272.1498 299.3709 -161363.6992 -108920.2923 298.4557 130.7685 159.2780 760400.7899 9.0449 8.8924 PRESSURE: 1655800 262.826 50.4245 -100.244 50.4235 -326.047 275.631 -100.245 275.632 90.1757 GPRESSURE: 1655800 261.023 3.51114 -100.234 78.0302 -247.717 162.82 -170.39 221.705 99.5488 PRESSAVG: 1655800 2.71316 -12.5888 -20.1006 -12.5888 -19.8617 25.761 -20.1006 25.761 -19.6683 GPRESSAVG: 1655800 4.95555 -12.1901 -20.0772 -14.0192 -20.4875 26.1489 -21.8803 23.5205 -21.3227 TIMING: 1655800 CPU: 5235.31, 0.00315973/step Wall: 5235.31, 0.00315973/step, 2.93521 hours remaining, 235.656250 MB of memory in use. ENERGY: 1655800 3970.4645 20547.0125 14533.2009 256.8795 -203303.7974 2715.5398 0.0000 0.0000 52251.7231 -109028.9772 300.2914 -161280.7003 -108664.3371 299.3685 8.9851 37.6185 762538.7608 -12.2723 -12.2849 PRESSURE: 1656000 368.369 -313.965 49.7048 -313.964 383.674 144.67 49.7043 144.671 65.5166 GPRESSURE: 1656000 309.244 -157.384 41.3125 -273.682 479.895 79.6523 117.033 164.993 109.605 PRESSAVG: 1656000 43.2213 -41.3719 -27.6281 -41.3719 26.226 1.64508 -27.6281 1.64508 2.22203 GPRESSAVG: 1656000 40.7236 -39.8274 -26.4682 -40.1731 28.0388 2.96269 -25.9259 2.63786 3.04899 TIMING: 1656000 CPU: 5235.94, 0.00313811/step Wall: 5235.94, 0.00313811/step, 2.91495 hours remaining, 235.656250 MB of memory 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 3945.9644 20466.0698 14635.1350 235.6207 -203468.5668 2972.3227 0.0000 0.0000 52095.6107 -109117.8433 299.3942 -161213.4540 -108750.6666 300.0882 272.5197 299.5814 761577.3541 23.8898 23.9371 PRESSURE: 1656200 393.859 97.6579 -138.752 97.6574 187.514 -213.741 -138.752 -213.741 195.772 GPRESSURE: 1656200 530.524 138.293 -241.415 -5.38456 202.89 -234.177 -115.033 -159.882 156.818 PRESSAVG: 1656200 26.7596 -28.7612 -7.75222 -28.7612 -29.9137 -23.5132 -7.75223 -23.5131 22.0866 GPRESSAVG: 1656200 28.5157 -30.5254 -9.26221 -31.4472 -32.4666 -25.2678 -6.21907 -21.57 22.7191 TIMING: 1656200 CPU: 5236.56, 0.00314532/step Wall: 5236.56, 0.00314532/step, 2.92148 hours remaining, 235.656250 MB of memory in use. ENERGY: 1656200 3961.5806 20417.2873 14552.7890 233.9941 -202976.3585 2956.6126 0.0000 0.0000 51969.7896 -108884.3053 298.6711 -160854.0949 -108530.2689 299.6861 259.0483 296.7439 761649.1086 6.3108 6.2561 LDB: ============= START OF LOAD BALANCING ============== 5249.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5249.1 LDB: =============== DONE WITH MIGRATION ================ 5249.1 LDB: ============= START OF LOAD BALANCING ============== 5249.42 LDB: Largest compute 7037 load 0.033180 is 17.0% of average load 0.195426 LDB: Average compute 0.004378 is 2.2% of average load 0.195426 LDB: TIME 5249.42 LOAD: AVG 0.195426 MAX 0.215578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 5249.42 LOAD: AVG 0.195426 MAX 0.215578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 5249.42 LOAD: AVG 0.195426 MAX 0.215578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 5249.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5249.43 PRESSURE: 1656400 -5.16378 -88.3579 -26.861 -88.3586 -25.453 -67.8848 -26.8614 -67.8855 -61.8544 GPRESSURE: 1656400 35.8744 -191.888 1.73306 -98.1135 -48.9405 -44.9472 -1.0699 -26.6017 8.49918 PRESSAVG: 1656400 27.669 -17.8496 -19.6373 -17.8496 -8.34301 6.45213 -19.6373 6.45213 -20.6371 GPRESSAVG: 1656400 26.9082 -18.6883 -19.4274 -16.1496 -7.47105 5.63112 -22.8468 6.13602 -20.8866 TIMING: 1656400 CPU: 5237.21, 0.00322479/step Wall: 5237.21, 0.00322479/step, 2.99511 hours remaining, 234.882812 MB of memory in use. ENERGY: 1656400 3996.5565 20226.8491 14534.0201 255.3907 -202753.4860 2420.0932 0.0000 0.0000 52173.3974 -109147.1790 299.8412 -161320.5764 -108788.1114 299.5044 -30.8237 -1.5223 760899.7365 -0.4370 -0.4832 PRESSURE: 1656600 105.196 -25.422 -80.9986 -25.4223 -169.6 24.2593 -80.9988 24.2597 -44.958 GPRESSURE: 1656600 -5.19988 -106.74 34.2339 -43.9065 -39.741 28.2594 26.7496 40.2206 -12.7545 PRESSAVG: 1656600 4.19553 -3.34617 -10.3598 -3.34616 23.6837 -47.7048 -10.3598 -47.7049 5.67829 GPRESSAVG: 1656600 2.72399 -4.93965 -8.68939 -3.84787 24.5771 -47.7765 -8.10945 -46.9014 5.84312 TIMING: 1656600 CPU: 5237.84, 0.00315677/step Wall: 5237.84, 0.00315677/step, 2.93177 hours remaining, 234.882812 MB of memory in use. ENERGY: 1656600 3972.5305 20363.4646 14529.4362 239.7741 -203143.1099 2766.4219 0.0000 0.0000 52195.2901 -109076.1924 299.9670 -161271.4825 -108714.1069 299.1987 -36.4540 -19.2318 762721.6715 11.1858 11.0481 PRESSURE: 1656800 -31.0691 211.265 -39.6667 211.266 -49.9052 -33.4521 -39.6668 -33.4523 -410.631 GPRESSURE: 1656800 54.5448 172.652 -19.1367 184.743 -72.3713 -117.868 -157.336 25.8353 -387.932 PRESSAVG: 1656800 -10.6711 9.37103 -17.2418 9.37105 28.3988 -55.5655 -17.2417 -55.5654 -33.3731 GPRESSAVG: 1656800 -9.4219 11.5039 -17.906 9.06642 27.4246 -56.2646 -18.2323 -53.2818 -33.5748 TIMING: 1656800 CPU: 5238.47, 0.00314508/step Wall: 5238.47, 0.00314508/step, 2.92073 hours remaining, 234.882812 MB of memory in use. ENERGY: 1656800 4009.1800 20356.5821 14537.7691 244.7648 -203032.7438 2678.6468 0.0000 0.0000 51968.8396 -109236.9616 298.6656 -161205.8012 -108886.3050 298.9605 -163.8685 -135.2528 763457.9597 -5.2152 -5.1907 PRESSURE: 1657000 398.91 -4.47345 229.517 -4.47404 -279.935 -129.529 229.518 -129.529 139.59 GPRESSURE: 1657000 352.388 30.1123 197.497 -34.5834 -239.496 -105.125 84.4887 -147.105 218.191 PRESSAVG: 1657000 37.5712 -7.31593 3.77079 -7.31596 -68.176 -12.9952 3.7708 -12.9951 1.1365 GPRESSAVG: 1657000 36.3798 -5.74283 2.82698 -7.04119 -66.9762 -11.9703 3.08189 -15.2876 1.43135 TIMING: 1657000 CPU: 5239.1, 0.00313023/step Wall: 5239.1, 0.00313023/step, 2.90677 hours remaining, 234.882812 MB of memory in use. ENERGY: 1657000 3900.1230 20543.1125 14463.1081 241.9329 -203111.0889 2633.3929 0.0000 0.0000 51876.0912 -109453.3282 298.1326 -161329.4194 -109097.8806 298.7355 86.1884 110.3611 762060.8026 -9.8228 -9.7217 PRESSURE: 1657200 3.12485 26.8982 -175.45 26.8995 -42.3299 6.41759 -175.45 6.41824 -334.792 GPRESSURE: 1657200 154.448 -34.3571 -141.219 2.78807 -113.067 68.0578 -43.1368 -34.6973 -343.674 PRESSAVG: 1657200 49.3301 -3.06906 34.7931 -3.06911 -1.97262 -30.7419 34.7931 -30.7419 -1.31644 GPRESSAVG: 1657200 51.0105 -3.21761 34.7659 -4.07532 -2.36921 -29.214 34.1241 -30.6718 -2.82451 TIMING: 1657200 CPU: 5239.73, 0.00315122/step Wall: 5239.73, 0.00315122/step, 2.92608 hours remaining, 234.882812 MB of memory in use. ENERGY: 1657200 3921.9888 20371.7311 14600.6682 247.9255 -203054.8794 2517.3308 0.0000 0.0000 52146.1381 -109249.0970 299.6846 -161395.2350 -108884.3219 298.4840 -124.6657 -100.7646 762233.8983 15.3470 15.2723 PRESSURE: 1657400 -315.374 190.951 42.6833 190.951 -353.354 62.4036 42.6837 62.4035 -100.431 GPRESSURE: 1657400 -317.352 143.486 88.8148 142.329 -333.307 -44.3269 80.7178 107.596 -28.1178 PRESSAVG: 1657400 56.1123 -4.52488 65.5802 -4.52492 8.04453 -4.60733 65.5802 -4.60725 29.6753 GPRESSAVG: 1657400 55.4367 -5.76287 64.2524 -5.09582 7.61277 -4.63951 66.6546 -4.83141 31.571 TIMING: 1657400 CPU: 5240.36, 0.00315151/step Wall: 5240.36, 0.00315151/step, 2.92617 hours remaining, 234.882812 MB of memory in use. ENERGY: 1657400 4009.5699 20490.0006 14532.9772 263.4298 -203228.6270 2579.1016 0.0000 0.0000 52049.2221 -109304.3258 299.1276 -161353.5479 -108947.2326 298.9098 -256.3862 -226.2588 761978.7375 31.2774 31.5402 PRESSURE: 1657600 -35.4505 20.059 36.2278 20.059 -179.739 -177.676 36.228 -177.677 -392.05 GPRESSURE: 1657600 -61.5811 -10.0124 71.0343 -65.9111 -110.779 -180.382 46.6336 -208.14 -341.055 PRESSAVG: 1657600 40.4108 -14.6071 5.32221 -14.607 -33.783 -29.9998 5.32221 -29.9999 8.16732 GPRESSAVG: 1657600 39.6753 -15.5927 6.82203 -12.2188 -33.0914 -31.3343 6.03903 -29.3085 8.2779 TIMING: 1657600 CPU: 5240.98, 0.00313679/step Wall: 5240.98, 0.00313679/step, 2.91233 hours remaining, 234.882812 MB of memory in use. ENERGY: 1657600 4044.8189 20349.1159 14565.3234 245.5192 -202944.7988 2431.4249 0.0000 0.0000 51873.2976 -109435.2990 298.1166 -161308.5966 -109066.8332 298.5050 -202.4132 -171.1384 762352.7091 4.9317 4.9540 PRESSURE: 1657800 192.402 -220.234 -118.24 -220.234 -49.3579 -301.942 -118.24 -301.942 -237.497 GPRESSURE: 1657800 194.991 -253.734 -118.914 -166.855 25.73 -245.327 -142.899 -224.072 -229.978 PRESSAVG: 1657800 -10.2088 -53.4648 4.93148 -53.4648 50.0285 -25.0212 4.93149 -25.0212 11.2529 GPRESSAVG: 1657800 -8.92547 -51.8477 3.99145 -53.0178 49.9834 -24.4578 4.28561 -24.9216 10.612 TIMING: 1657800 CPU: 5241.61, 0.00314297/step Wall: 5241.61, 0.00314297/step, 2.9179 hours remaining, 234.882812 MB of memory in use. ENERGY: 1657800 3942.9584 20406.9705 14532.8036 241.6298 -203196.2615 2599.8100 0.0000 0.0000 51869.5274 -109602.5618 298.0949 -161472.0892 -109233.7672 298.4969 -31.4841 -3.0856 762153.4842 17.0242 17.2233 PRESSURE: 1658000 -25.4117 -51.7797 -7.94967 -51.7796 -7.77594 -127.051 -7.94908 -127.052 -11.2414 GPRESSURE: 1658000 -25.6787 -11.0263 -19.5344 -159.613 47.4393 -90.3848 -10.9376 -155.367 15.8617 PRESSAVG: 1658000 -19.5334 33.4527 34.9612 33.4527 -53.9627 -11.5747 34.9611 -11.5746 -30.3762 GPRESSAVG: 1658000 -20.4231 32.9688 36.0478 33.2025 -53.665 -10.9287 32.0543 -13.1993 -30.2785 TIMING: 1658000 CPU: 5242.24, 0.00313702/step Wall: 5242.24, 0.00313702/step, 2.9122 hours remaining, 234.882812 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: 1658000 4033.2830 20246.5785 14520.8599 245.4552 -203279.6324 2672.6306 0.0000 0.0000 52062.5695 -109498.2558 299.2043 -161560.8253 -109132.7303 297.7647 -14.8097 12.5408 761760.7357 -34.6241 -34.7888 PRESSURE: 1658200 -156.39 111.689 349.645 111.689 88.1488 72.8844 349.645 72.8846 -326.731 GPRESSURE: 1658200 -115.555 65.7632 447.773 55.2236 104.198 82.5279 182.673 186.384 -282.48 PRESSAVG: 1658200 15.2085 -3.2603 18.0166 -3.26026 7.3543 -25.8934 18.0166 -25.8934 -14.6388 GPRESSAVG: 1658200 16.1807 -2.63405 15.2445 -3.88515 5.80615 -26.629 19.9556 -25.4661 -13.8141 TIMING: 1658200 CPU: 5242.87, 0.00314173/step Wall: 5242.87, 0.00314173/step, 2.9164 hours remaining, 234.882812 MB of memory in use. ENERGY: 1658200 4015.5263 20384.9481 14527.7917 246.3812 -203294.9453 2641.8142 0.0000 0.0000 51930.2163 -109548.2675 298.4437 -161478.4838 -109192.9618 298.1512 -131.6574 -97.9454 761914.2230 2.6413 2.7243 PRESSURE: 1658400 113.878 -46.4128 29.0678 -46.4122 353.422 59.0476 29.0672 59.0477 113.515 GPRESSURE: 1658400 222.981 -3.12076 -31.8208 -39.8329 414.36 39.3359 107.75 -1.11775 39.6565 PRESSAVG: 1658400 39.5389 -21.9368 -7.23273 -21.9367 -25.9234 -0.0124748 -7.23283 -0.0124694 12.6277 GPRESSAVG: 1658400 39.3097 -22.9274 -4.41334 -21.2535 -24.3923 -0.213364 -6.37998 0.957308 11.2401 TIMING: 1658400 CPU: 5243.5, 0.0031518/step Wall: 5243.5, 0.0031518/step, 2.92557 hours remaining, 234.882812 MB of memory in use. ENERGY: 1658400 3940.5359 20278.5996 14649.9640 243.7974 -203427.0681 2743.3770 0.0000 0.0000 51960.1659 -109610.6283 298.6158 -161570.7943 -109242.9630 298.0179 193.6052 225.6658 764646.5934 8.7477 8.7192 PRESSURE: 1658600 -168.584 9.17792 -126.644 9.17934 -368.872 -338.612 -126.643 -338.611 8.53028 GPRESSURE: 1658600 -87.3868 26.7727 -23.8121 -71.7716 -285.279 -280.601 -242.988 -265.795 -86.3804 PRESSAVG: 1658600 51.3033 -13.5701 -11.5089 -13.5701 -48.5001 8.43786 -11.5089 8.43782 -3.48362 GPRESSAVG: 1658600 50.9203 -14.2265 -13.618 -12.4318 -48.1416 8.09358 -12.6668 10.2188 -4.35934 TIMING: 1658600 CPU: 5244.13, 0.00315981/step Wall: 5244.13, 0.00315981/step, 2.93283 hours remaining, 234.882812 MB of memory in use. ENERGY: 1658600 3968.1434 20341.1366 14597.9983 242.5671 -203151.3235 2468.3179 0.0000 0.0000 52116.0748 -109417.0854 299.5118 -161533.1602 -109042.9662 298.1136 -176.3085 -153.0152 762824.1468 -0.2268 -0.5269 PRESSURE: 1658800 156.071 -420.465 -296.49 -420.465 247.092 -226.692 -296.491 -226.693 395.53 GPRESSURE: 1658800 212.079 -410.64 -195.556 -270.927 306.439 -225.643 -324.537 -164.009 366.371 PRESSAVG: 1658800 39.1711 -38.7035 -16.5959 -38.7036 -46.7938 -5.31778 -16.5959 -5.31781 1.29458 GPRESSAVG: 1658800 38.8774 -38.1748 -14.9766 -38.3437 -47.7339 -6.20347 -16.7734 -4.56942 2.2471 TIMING: 1658800 CPU: 5244.77, 0.00317615/step Wall: 5244.77, 0.00317615/step, 2.94782 hours remaining, 234.882812 MB of memory in use. ENERGY: 1658800 3974.0868 20475.7778 14546.3948 233.7386 -203699.0270 2960.9469 0.0000 0.0000 51903.7183 -109604.3638 298.2914 -161508.0821 -109239.5169 298.8500 266.2309 294.9630 760723.3867 -2.1094 -2.2031 PRESSURE: 1659000 249.814 128.376 197.679 128.375 35.7773 72.6151 197.679 72.6136 375.387 GPRESSURE: 1659000 254.485 80.4578 178.905 216.505 139.342 96.2839 198.718 51.2141 351.964 PRESSAVG: 1659000 -21.7689 -45.091 20.991 -45.0911 -9.99657 -20.7891 20.9911 -20.7891 -24.6645 GPRESSAVG: 1659000 -21.7605 -43.2095 19.0959 -46.2209 -10.0418 -20.4024 22.0368 -25.3217 -24.8576 TIMING: 1659000 CPU: 5245.4, 0.00315525/step Wall: 5245.4, 0.00315525/step, 2.92825 hours remaining, 234.882812 MB of memory in use. ENERGY: 1659000 3924.3228 20473.4248 14582.9261 238.1464 -203330.4573 2606.9791 0.0000 0.0000 52116.5524 -109388.1056 299.5145 -161504.6581 -109029.7465 298.2743 220.3263 248.5971 762313.7964 -18.8100 -18.8866 PRESSURE: 1659200 -51.4492 -87.2949 -41.3915 -87.2943 292.747 406.7 -41.391 406.702 169.086 GPRESSURE: 1659200 74.7403 73.5544 -47.8776 -149.774 305.316 397.443 110.609 362.152 101.466 PRESSAVG: 1659200 19.1833 6.32356 15.9965 6.32354 -16.9395 -16.748 15.9965 -16.7481 18.9401 GPRESSAVG: 1659200 20.4707 6.8148 16.7333 5.76573 -18.4512 -15.5035 15.3978 -14.986 18.7555 TIMING: 1659200 CPU: 5246.03, 0.00315604/step Wall: 5246.03, 0.00315604/step, 2.9288 hours remaining, 234.882812 MB of memory in use. ENERGY: 1659200 3978.0592 20398.1935 14478.8828 253.8379 -203009.9463 2697.3378 0.0000 0.0000 52003.2160 -109200.4191 298.8632 -161203.6351 -108846.3134 299.0430 136.7945 160.5074 764261.8183 7.0613 6.9250 PRESSURE: 1659400 256.995 118.327 12.6918 118.327 49.2263 -6.57216 12.6923 -6.57269 223.974 GPRESSURE: 1659400 287.097 208.451 -28.5837 29.1734 91.2777 -57.9253 38.673 35.8398 230.341 PRESSAVG: 1659400 -0.667504 -37.7155 40.0201 -37.7155 51.5312 -6.25211 40.0201 -6.25203 17.3867 GPRESSAVG: 1659400 -2.50825 -38.9799 38.9518 -36.6316 52.5607 -6.87024 40.5012 -4.05632 17.9109 TIMING: 1659400 CPU: 5246.66, 0.00314143/step Wall: 5246.66, 0.00314143/step, 2.91507 hours remaining, 234.882812 MB of memory in use. ENERGY: 1659400 4037.4994 20491.5585 14542.8155 238.8132 -203286.1496 2937.8851 0.0000 0.0000 52025.0192 -109012.5588 298.9885 -161037.5780 -108659.8104 299.5845 176.7318 202.9052 763093.5898 22.7501 22.6544 PRESSURE: 1659600 -182.096 -218.009 -36.7117 -218.009 173.505 2.30395 -36.712 2.30464 -259.605 GPRESSURE: 1659600 -158.844 -199.069 -87.0216 -166.436 189.827 -1.78431 100.743 -21.1611 -227.773 PRESSAVG: 1659600 14.1913 -13.3013 20.7844 -13.3012 -6.43259 18.6717 20.7844 18.6717 -14.8744 GPRESSAVG: 1659600 17.0528 -12.758 21.457 -13.3927 -7.74824 18.3051 21.3081 17.0864 -15.8007 TIMING: 1659600 CPU: 5247.28, 0.00314213/step Wall: 5247.28, 0.00314213/step, 2.91555 hours remaining, 234.882812 MB of memory in use. ENERGY: 1659600 3986.3796 20524.3315 14561.0162 245.6921 -203268.3580 2790.1509 0.0000 0.0000 52167.1691 -108993.6186 299.8054 -161160.7877 -108642.2600 299.6776 -89.3989 -65.5963 763442.3928 -2.3719 -2.1654 PRESSURE: 1659800 73.2102 -100.723 -73.7342 -100.723 30.7504 -26.7342 -73.7342 -26.7347 -320.104 GPRESSURE: 1659800 27.0069 -66.2558 37.7456 -83.2598 171.556 -28.6563 -77.0751 -153.756 -331.669 PRESSAVG: 1659800 -17.5775 -10.9003 15.863 -10.9003 7.99384 -14.006 15.863 -14.0061 3.34738 GPRESSAVG: 1659800 -19.1256 -12.3194 15.7025 -8.99808 8.62986 -13.5743 16.92 -14.2152 3.76627 TIMING: 1659800 CPU: 5247.91, 0.00313522/step Wall: 5247.91, 0.00313522/step, 2.90896 hours remaining, 234.882812 MB of memory in use. ENERGY: 1659800 4045.0459 20552.8735 14522.7031 244.2716 -203015.1269 2464.5224 0.0000 0.0000 52020.6774 -109165.0329 298.9635 -161185.7103 -108809.7155 299.7531 -72.0477 -44.3684 761561.2602 -2.0788 -2.2432 PRESSURE: 1660000 216.799 42.9027 -160.963 42.9021 -124.126 -11.5518 -160.963 -11.5518 200.642 GPRESSURE: 1660000 143.889 19.7104 -181.935 97.9001 37.6075 -7.88165 -181.085 81.1832 197.663 PRESSAVG: 1660000 0.575809 20.3435 16.096 20.3434 -21.4485 -15.0834 16.096 -15.0834 -13.0559 GPRESSAVG: 1660000 0.194116 21.3171 15.4628 18.2557 -21.8841 -14.2045 14.3662 -14.527 -12.0893 TIMING: 1660000 CPU: 5248.54, 0.00313378/step Wall: 5248.54, 0.00313378/step, 2.90745 hours remaining, 234.882812 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: 1660000 4039.3333 20259.7360 14601.0604 252.3146 -203235.0666 2712.4400 0.0000 0.0000 52109.7805 -109260.4018 299.4756 -161370.1823 -108897.9753 299.5365 97.7714 126.3864 762570.6220 -11.3095 -11.2597 PRESSURE: 1660200 -78.3454 -47.5047 131.783 -47.5046 -28.5449 207.213 131.782 207.212 288.381 GPRESSURE: 1660200 46.255 15.0526 192.506 28.1511 -96.7779 212.336 -34.3397 227.671 320.512 PRESSAVG: 1660200 73.6156 -23.5244 32.5754 -23.5244 -29.9964 16.7574 32.5754 16.7574 23.3492 GPRESSAVG: 1660200 73.4805 -22.9325 33.6808 -22.8425 -29.444 16.751 33.4944 15.9794 23.615 TIMING: 1660200 CPU: 5249.17, 0.00315035/step Wall: 5249.17, 0.00315035/step, 2.92265 hours remaining, 234.882812 MB of memory in use. ENERGY: 1660200 3981.9831 20420.1999 14497.3885 273.3523 -203110.3929 2526.6109 0.0000 0.0000 52098.4173 -109312.4410 299.4103 -161410.8583 -108941.3151 299.2020 60.4970 89.9964 761351.3662 22.3228 22.5505 LDB: ============= START OF LOAD BALANCING ============== 5261.7 LDB: ============== END OF LOAD BALANCING =============== 5261.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5261.7 LDB: ============= START OF LOAD BALANCING ============== 5262.01 LDB: Largest compute 7037 load 0.034637 is 17.7% of average load 0.195396 LDB: Average compute 0.004388 is 2.2% of average load 0.195396 LDB: TIME 5262.02 LOAD: AVG 0.195396 MAX 0.213096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 5262.02 LOAD: AVG 0.195396 MAX 0.213096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 5262.02 LOAD: AVG 0.195396 MAX 0.213096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 5262.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5262.02 PRESSURE: 1660400 -202.206 59.7107 37.7677 59.7089 -265.332 -18.1998 37.7676 -18.1998 -79.8398 GPRESSURE: 1660400 -301.756 66.1897 56.0249 34.0607 -92.3258 -76.914 204.71 -140.115 -76.2732 PRESSAVG: 1660400 1.59838 46.9068 57.8945 46.9068 -30.5844 12.8928 57.8945 12.8928 2.51637 GPRESSAVG: 1660400 1.92876 46.2444 57.4883 46.4054 -30.0008 10.763 57.7688 13.7107 2.01518 TIMING: 1660400 CPU: 5249.81, 0.00319495/step Wall: 5249.81, 0.00319495/step, 2.96385 hours remaining, 235.394531 MB of memory in use. ENERGY: 1660400 3979.9531 20378.5812 14497.9037 250.6484 -203101.7577 2626.0429 0.0000 0.0000 52124.9030 -109243.7254 299.5625 -161368.6284 -108875.6914 299.6509 -182.4591 -156.7851 761312.5575 -8.8232 -8.6856 PRESSURE: 1660600 -92.6048 42.7488 185.099 42.7479 336.634 6.74752 185.099 6.74727 -8.65783 GPRESSURE: 1660600 25.1642 57.3241 241.686 -53.6226 235.432 -81.3701 128.852 111.657 59.508 PRESSAVG: 1660600 7.23032 -32.248 43.1483 -32.2481 -2.63395 1.96023 43.1483 1.96027 -13.6521 GPRESSAVG: 1660600 8.01734 -31.2052 43.5916 -32.6875 -3.93371 3.50843 43.4466 2.17104 -13.1491 TIMING: 1660600 CPU: 5250.44, 0.00313822/step Wall: 5250.44, 0.00313822/step, 2.91105 hours remaining, 235.597656 MB of memory in use. ENERGY: 1660600 3974.1874 20379.5618 14536.7219 248.2734 -203157.8589 2660.0027 0.0000 0.0000 52288.0252 -109071.0865 300.5000 -161359.1117 -108712.0471 299.4094 78.4573 106.7016 761858.8372 -3.0186 -3.0218 PRESSURE: 1660800 19.1774 -102.436 -70.881 -102.436 29.2457 147.485 -70.8798 147.486 194.889 GPRESSURE: 1660800 59.6152 -74.3163 -13.4924 -174.454 113.061 140.358 36.6485 79.1335 187.332 PRESSAVG: 1660800 -1.72565 -22.8121 -36.178 -22.8121 19.2557 17.9236 -36.178 17.9235 21.9133 GPRESSAVG: 1660800 -1.1887 -22.7101 -37.0765 -22.8115 20.1311 17.9821 -35.1719 18.644 20.4352 TIMING: 1660800 CPU: 5251.06, 0.00312624/step Wall: 5251.06, 0.00312624/step, 2.89976 hours remaining, 235.597656 MB of memory in use. ENERGY: 1660800 3971.9018 20249.1143 14541.6501 258.7333 -202797.3734 2809.7274 0.0000 0.0000 51966.0364 -109000.2101 298.6495 -160966.2465 -108633.2882 299.8882 81.1040 120.0025 761989.2718 13.1478 13.1258 PRESSURE: 1661000 78.6629 -57.7925 -143.331 -57.7918 -6.35403 277.034 -143.33 277.034 254.611 GPRESSURE: 1661000 120.689 40.6798 -140.903 96.8086 -29.7062 328.157 -103.145 344.465 329.258 PRESSAVG: 1661000 -2.90754 -7.99113 3.51225 -7.99117 -6.69057 19.0177 3.51228 19.0177 -5.53422 GPRESSAVG: 1661000 -2.87609 -6.04957 3.99675 -7.38888 -7.24814 19.6488 3.21909 18.187 -5.19023 TIMING: 1661000 CPU: 5251.68, 0.00310979/step Wall: 5251.68, 0.00310979/step, 2.88433 hours remaining, 235.597656 MB of memory in use. ENERGY: 1661000 3918.3098 20380.8325 14594.4641 259.0095 -202896.3002 2542.0431 0.0000 0.0000 52053.8452 -109147.7961 299.1542 -161201.6413 -108787.1954 299.6112 108.9731 140.0803 761003.8747 -5.0441 -5.1048 PRESSURE: 1661200 71.9832 106.597 -187.568 106.597 -380.476 -88.4737 -187.568 -88.4724 -319.71 GPRESSURE: 1661200 113.951 150.52 -319.029 96.1169 -358.1 -184.09 -222.473 -115.262 -289.642 PRESSAVG: 1661200 -18.5028 -48.5564 65.2665 -48.5564 -43.7631 -11.2106 65.2665 -11.2106 17.83 GPRESSAVG: 1661200 -19.4506 -50.3853 63.6149 -48.0982 -42.2872 -12.028 63.8909 -12.219 17.6622 TIMING: 1661200 CPU: 5252.31, 0.00313942/step Wall: 5252.31, 0.00313943/step, 2.91164 hours remaining, 235.597656 MB of memory in use. ENERGY: 1661200 4007.8709 20520.2156 14553.1049 262.0162 -203205.9427 2641.3064 0.0000 0.0000 51913.6501 -109307.7785 298.3485 -161221.4286 -108958.2030 299.1406 -209.4011 -177.9301 762226.8420 -14.8120 -14.6919 PRESSURE: 1661400 -12.0409 -216.007 -51.491 -216.006 -148.658 -213.911 -51.4916 -213.911 332.18 GPRESSURE: 1661400 54.0836 -213.94 -29.0047 -257.521 -84.9041 -193.004 -18.3548 -141.22 299.981 PRESSAVG: 1661400 -8.64617 -22.8804 -7.09199 -22.8804 -8.94789 11.4743 -7.09199 11.4742 -22.6706 GPRESSAVG: 1661400 -8.61808 -23.3866 -5.97791 -24.0405 -9.08907 10.604 -6.92774 10.4726 -22.4413 TIMING: 1661400 CPU: 5252.94, 0.00316442/step Wall: 5252.94, 0.00316443/step, 2.93465 hours remaining, 235.597656 MB of memory in use. ENERGY: 1661400 3929.1031 20350.3339 14548.6902 249.4560 -203297.7233 2754.5422 0.0000 0.0000 52083.3983 -109382.1996 299.3240 -161465.5979 -109018.4360 299.1976 57.1603 89.7203 760662.5671 -13.4215 -13.3828 PRESSURE: 1661600 152.282 219.861 115.866 219.862 157.991 142.053 115.866 142.054 -62.4623 GPRESSURE: 1661600 112.705 294.091 157.341 32.0028 204.244 161.543 93.4468 150.317 -7.8524 PRESSAVG: 1661600 62.2605 -43.0682 38.6888 -43.0682 -51.8141 -23.3858 38.6888 -23.3857 -15.9371 GPRESSAVG: 1661600 61.4201 -41.711 37.5023 -43.1728 -51.2777 -22.6733 38.9254 -20.5969 -16.1071 TIMING: 1661600 CPU: 5253.57, 0.00312778/step Wall: 5253.57, 0.00312778/step, 2.9005 hours remaining, 235.597656 MB of memory in use. ENERGY: 1661600 3948.5509 20371.9929 14640.7722 254.8984 -203037.9768 2578.6090 0.0000 0.0000 51752.0039 -109491.1495 297.4195 -161243.1534 -109139.6450 298.8597 82.6035 103.0322 762057.0110 -1.8302 -1.9882 PRESSURE: 1661800 208.493 79.6559 -47.156 79.6556 71.0398 -59.443 -47.1559 -59.4425 77.1264 GPRESSURE: 1661800 212.242 112.084 16.7986 36.4164 118.834 -86.4194 -73.5662 51.1904 109.671 PRESSAVG: 1661800 15.6401 -7.95069 44.1811 -7.95075 2.7572 19.2301 44.1811 19.2301 -2.59034 GPRESSAVG: 1661800 16.6881 -8.41349 45.7688 -7.43879 1.56526 19.2673 45.5158 18.4586 -2.55768 TIMING: 1661800 CPU: 5254.2, 0.00316437/step Wall: 5254.2, 0.00316437/step, 2.93425 hours remaining, 235.597656 MB of memory in use. ENERGY: 1661800 3983.7179 20459.1729 14574.8801 230.1875 -203109.5292 2658.0762 0.0000 0.0000 51807.3124 -109396.1821 297.7373 -161203.4946 -109041.5906 298.7456 118.8864 146.9155 761068.2308 5.2690 5.2319 PRESSURE: 1662000 -92.7193 -136.287 321.476 -136.287 -528.237 -22.1611 321.476 -22.1617 -59.951 GPRESSURE: 1662000 -91.573 -201.864 330.86 -129.323 -397.091 26.5485 218.854 -33.7938 -87.6265 PRESSAVG: 1662000 89.6896 -29.1949 16.0619 -29.1948 -29.5296 16.8673 16.0619 16.8672 10.3511 GPRESSAVG: 1662000 89.6468 -30.7649 16.7258 -30.2739 -28.202 16.8901 12.2708 17.4905 9.38884 TIMING: 1662000 CPU: 5254.83, 0.00314401/step Wall: 5254.83, 0.00314401/step, 2.91519 hours remaining, 235.597656 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: 1662000 4087.8789 20511.8326 14579.1013 261.4573 -202952.3509 2266.3510 0.0000 0.0000 52052.0359 -109193.6938 299.1438 -161245.7297 -108822.5972 299.4625 -226.9691 -192.0969 762234.0238 23.5037 23.6112 PRESSURE: 1662200 261.131 -104.305 59.1693 -104.306 270.852 161.705 59.1699 161.705 -57.4076 GPRESSURE: 1662200 280.463 -66.9438 98.8586 -61.9998 318.235 139.542 133.691 2.08715 -53.0439 PRESSAVG: 1662200 32.8587 -2.45327 23.7566 -2.45325 -32.7698 -55.4225 23.7566 -55.4225 -13.7048 GPRESSAVG: 1662200 33.5349 -0.662529 24.5925 -0.373946 -34.6484 -55.3316 25.1689 -55.2735 -12.5243 TIMING: 1662200 CPU: 5255.45, 0.00312089/step Wall: 5255.45, 0.00312089/step, 2.89358 hours remaining, 235.597656 MB of memory in use. ENERGY: 1662200 4031.4007 20391.0030 14538.0787 261.4409 -203842.5144 3085.6708 0.0000 0.0000 52165.6129 -109369.3073 299.7965 -161534.9202 -108990.8379 299.3160 158.1917 181.8845 761400.1835 -4.5386 -4.5459 PRESSURE: 1662400 -144.773 -39.9274 -190.24 -39.9272 -434.548 290.049 -190.24 290.049 -408.71 GPRESSURE: 1662400 -158.713 58.8587 -132.486 26.4564 -321.201 160.653 -144.231 287.371 -422.029 PRESSAVG: 1662400 45.2345 2.36901 51.1216 2.36904 -9.5049 -5.02386 51.1215 -5.02391 -1.84678 GPRESSAVG: 1662400 45.0617 -1.07776 49.2286 2.57448 -9.66978 -5.76798 51.7264 -6.63936 -1.41823 TIMING: 1662400 CPU: 5256.08, 0.00314121/step Wall: 5256.08, 0.00314121/step, 2.91225 hours remaining, 235.597656 MB of memory in use. ENERGY: 1662400 4047.3257 20595.8536 14598.5680 251.2350 -202908.3004 2529.1216 0.0000 0.0000 51611.6786 -109274.5179 296.6130 -160886.1964 -108922.9891 298.8379 -329.3435 -300.6476 763899.1694 11.2943 11.3246 PRESSURE: 1662600 30.9545 -182.731 -57.3439 -182.731 29.8406 -19.8811 -57.3446 -19.8816 -130.601 GPRESSURE: 1662600 46.59 -238.554 -38.8948 -27.0313 56.4611 -41.4351 -7.02861 78.3435 -78.2881 PRESSAVG: 1662600 31.6037 -1.46404 7.40252 -1.46411 -9.03292 -43.2251 7.40251 -43.2251 -15.5332 GPRESSAVG: 1662600 31.5462 0.636618 9.50264 -1.52612 -7.32952 -42.0873 5.83705 -43.2434 -17.3386 TIMING: 1662600 CPU: 5256.71, 0.00312363/step Wall: 5256.71, 0.00312363/step, 2.89578 hours remaining, 235.597656 MB of memory in use. ENERGY: 1662600 4000.6397 20358.7900 14628.4535 249.5718 -203436.6859 2798.7560 0.0000 0.0000 52234.5640 -109165.9109 300.1928 -161400.4749 -108802.6964 298.9456 -23.2685 8.2543 763452.2985 2.3459 2.2927 PRESSURE: 1662800 -108.868 120.957 -164.288 120.958 -242.83 -179.551 -164.289 -179.552 155.198 GPRESSURE: 1662800 45.7982 64.1587 -200.811 151.157 -206.712 -160.316 -174.383 -260.841 48.6308 PRESSAVG: 1662800 23.2118 11.6085 2.57385 11.6085 -44.3682 -13.8448 2.57392 -13.8447 0.998369 GPRESSAVG: 1662800 24.3868 11.1787 1.42074 12.0445 -44.8277 -15.1358 6.94172 -14.2807 0.659673 TIMING: 1662800 CPU: 5257.34, 0.00314216/step Wall: 5257.34, 0.00314216/step, 2.91278 hours remaining, 235.597656 MB of memory in use. ENERGY: 1662800 3876.6633 20463.0346 14687.8810 244.4867 -203695.0639 2850.3792 0.0000 0.0000 52231.9466 -109340.6725 300.1777 -161572.6191 -108975.8763 298.8861 -65.5002 -37.4277 763824.8955 -6.7193 -6.5937 PRESSURE: 1663000 104.669 -21.0971 221.491 -21.0964 -145.572 -28.4579 221.492 -28.4578 74.554 GPRESSURE: 1663000 2.12774 -82.3714 188.054 -31.0937 -41.9292 10.7125 249.999 -0.327742 161.526 PRESSAVG: 1663000 45.7112 -14.0856 -5.87168 -14.0856 -72.0883 -45.9523 -5.87164 -45.9523 -15.8923 GPRESSAVG: 1663000 44.8702 -15.5288 -6.3654 -13.8733 -72.5817 -46.3537 -7.28233 -41.9997 -14.6023 TIMING: 1663000 CPU: 5257.96, 0.0031447/step Wall: 5257.96, 0.0031447/step, 2.91496 hours remaining, 235.597656 MB of memory in use. ENERGY: 1663000 3981.9884 20475.7028 14647.9423 251.9801 -203110.7186 2569.2583 0.0000 0.0000 52038.2988 -109145.5480 299.0648 -161183.8467 -108787.4694 299.3438 11.2172 40.5749 763438.2134 -14.0898 -14.1046 PRESSURE: 1663200 215.75 -137.248 46.5968 -137.248 -298.13 64.9431 46.5968 64.9434 -211.783 GPRESSURE: 1663200 185.77 -67.0872 57.6605 -90.3565 -256.973 -34.2366 60.9631 76.0159 -138.12 PRESSAVG: 1663200 40.5383 -61.6252 2.65494 -61.6252 -30.0068 0.0402639 2.6549 0.0402445 2.92948 GPRESSAVG: 1663200 41.4485 -60.1678 4.80101 -61.6955 -30.3554 -1.24644 1.93578 0.796337 2.51169 TIMING: 1663200 CPU: 5258.6, 0.00315413/step Wall: 5258.6, 0.00315413/step, 2.92353 hours remaining, 235.597656 MB of memory in use. ENERGY: 1663200 3929.6526 20406.1503 14585.4445 235.7915 -203672.3767 2769.0511 0.0000 0.0000 52257.1240 -109489.1627 300.3224 -161746.2867 -109109.6884 298.8750 -98.0545 -69.7743 761764.0565 4.4870 4.5349 PRESSURE: 1663400 -195.3 53.417 -77.006 53.4171 -400.604 97.6732 -77.0059 97.6729 120.277 GPRESSURE: 1663400 -126.586 -17.0174 -73.641 88.6297 -295.868 151.668 -9.407 -35.1785 33.3249 PRESSAVG: 1663400 79.7238 -42.8333 5.76651 -42.8334 -10.6378 -13.914 5.76656 -13.914 18.3875 GPRESSAVG: 1663400 79.4343 -42.4278 4.76936 -43.5614 -10.4421 -11.0584 7.69453 -19.5103 18.5764 TIMING: 1663400 CPU: 5259.23, 0.00317908/step Wall: 5259.23, 0.00317908/step, 2.94648 hours remaining, 235.597656 MB of memory in use. ENERGY: 1663400 4004.6406 20554.5069 14646.7143 249.4914 -203175.2426 2522.9857 0.0000 0.0000 51864.2838 -109332.6200 298.0648 -161196.9038 -108970.3376 298.4289 -158.5421 -129.7096 762235.0091 29.1578 29.1895 PRESSURE: 1663600 -15.4901 -99.6595 -53.5164 -99.6595 108.212 80.0767 -53.5163 80.0753 -507.841 GPRESSURE: 1663600 42.2145 -38.7002 -173.561 -144.265 112.093 83.2963 33.9495 263.935 -473.862 PRESSAVG: 1663600 -5.26227 -29.0395 18.7561 -29.0395 6.2846 -46.5768 18.7561 -46.5768 36.5102 GPRESSAVG: 1663600 -5.64316 -29.6489 18.7529 -30.0969 6.70267 -47.3479 18.5928 -44.7591 36.5384 TIMING: 1663600 CPU: 5259.86, 0.00316196/step Wall: 5259.86, 0.00316196/step, 2.93044 hours remaining, 235.597656 MB of memory in use. ENERGY: 1663600 4086.7795 20414.5851 14685.9964 235.9824 -203172.3655 2721.0326 0.0000 0.0000 51923.0718 -109104.9177 298.4026 -161027.9895 -108742.5690 298.9576 -138.3729 -106.5182 762943.6543 12.5108 12.5326 PRESSURE: 1663800 -21.2985 -70.3376 -66.6712 -70.3376 -371.554 -58.9529 -66.6723 -58.9525 -308.236 GPRESSURE: 1663800 54.5482 -80.4701 -59.8076 -167.269 -352.293 -4.93333 26.8606 -70.39 -309.039 PRESSAVG: 1663800 33.8362 -35.0508 -43.1977 -35.0509 -21.3895 0.46365 -43.1976 0.463575 -13.065 GPRESSAVG: 1663800 34.8056 -35.6826 -44.328 -35.5047 -22.163 0.198731 -42.6436 0.175346 -13.5226 TIMING: 1663800 CPU: 5260.5, 0.00316316/step Wall: 5260.5, 0.00316316/step, 2.93137 hours remaining, 235.597656 MB of memory in use. ENERGY: 1663800 4002.6252 20435.2033 14641.7277 247.0163 -203412.4675 2856.1786 0.0000 0.0000 52050.6884 -109179.0280 299.1360 -161229.7163 -108824.3495 299.2528 -233.6960 -202.2612 761856.4566 -0.2061 -0.2933 PRESSURE: 1664000 -218.624 71.8714 135.899 71.8728 -103.239 -239.182 135.899 -239.181 128.933 GPRESSURE: 1664000 -142.248 58.7924 138.634 8.83654 -106.303 -297.284 37.2666 -230.239 157.08 PRESSAVG: 1664000 71.6459 -49.3342 -39.8122 -49.3343 -66.8407 -28.412 -39.8122 -28.412 -7.43995 GPRESSAVG: 1664000 71.2926 -45.9848 -38.3155 -48.0239 -66.1887 -27.5861 -41.6018 -27.5804 -7.72156 TIMING: 1664000 CPU: 5261.13, 0.00315931/step Wall: 5261.13, 0.00315931/step, 2.92763 hours remaining, 235.597656 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: 1664000 3973.9329 20423.1125 14649.1877 248.7416 -203099.1285 2460.8449 0.0000 0.0000 52055.1784 -109288.1306 299.1618 -161343.3089 -108924.5097 299.0307 -64.3102 -30.4902 760561.8153 -0.8783 -0.8725 PRESSURE: 1664200 -79.6915 -22.3555 -79.3495 -22.3558 -267.333 -46.4634 -79.3492 -46.4637 -227.83 GPRESSURE: 1664200 -41.229 -98.1031 -44.609 22.6489 -295.206 -31.8705 -58.9072 47.0198 -161.565 PRESSAVG: 1664200 30.529 15.4421 -29.8661 15.4421 8.09795 -36.6554 -29.8661 -36.6554 -11.9839 GPRESSAVG: 1664200 29.5632 13.8037 -30.1115 15.0986 8.07133 -38.173 -30.4558 -36.4209 -11.4225 TIMING: 1664200 CPU: 5261.76, 0.00315302/step Wall: 5261.76, 0.00315302/step, 2.92162 hours remaining, 235.597656 MB of memory in use. ENERGY: 1664200 4021.5636 20531.8841 14615.4568 257.4933 -203133.2706 2579.2490 0.0000 0.0000 51758.1553 -109369.4684 297.4548 -161127.6237 -109005.4675 299.0214 -191.6182 -166.0001 763948.1810 8.8810 8.7374 LDB: ============= START OF LOAD BALANCING ============== 5274.29 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5274.29 LDB: =============== DONE WITH MIGRATION ================ 5274.29 LDB: ============= START OF LOAD BALANCING ============== 5274.61 LDB: Largest compute 7048 load 0.031845 is 16.3% of average load 0.195408 LDB: Average compute 0.004381 is 2.2% of average load 0.195408 LDB: TIME 5274.61 LOAD: AVG 0.195408 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.941 MB LDB: TIME 5274.61 LOAD: AVG 0.195408 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.965 MB LDB: TIME 5274.61 LOAD: AVG 0.195408 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.965 MB LDB: ============== END OF LOAD BALANCING =============== 5274.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5274.62 PRESSURE: 1664400 -101.203 9.70952 213.574 9.70962 -46.5828 110.963 213.574 110.962 148.637 GPRESSURE: 1664400 -92.1068 -11.7531 116.045 -24.0168 27.5384 137.261 220.646 43.1441 157.947 PRESSAVG: 1664400 -13.3846 -16.1292 -49.0656 -16.1291 0.908541 7.44857 -49.0656 7.44849 -5.9208 GPRESSAVG: 1664400 -13.8241 -16.1409 -49.3276 -17.4011 1.19343 9.80086 -47.9935 6.4083 -5.72372 TIMING: 1664400 CPU: 5262.4, 0.00322402/step Wall: 5262.4, 0.00322402/step, 2.98723 hours remaining, 236.164062 MB of memory in use. ENERGY: 1664400 3953.0454 20490.7550 14588.4354 250.8919 -203706.5183 2777.8841 0.0000 0.0000 52082.5360 -109562.9705 299.3191 -161645.5065 -109191.3533 298.4979 0.2838 31.1262 762195.1371 -6.1323 -6.1181 PRESSURE: 1664600 107.418 -20.5189 35.1649 -20.5191 -67.9848 -17.8448 35.1656 -17.8438 489.961 GPRESSURE: 1664600 163.401 -34.0303 -40.0556 -20.7003 -87.3647 -66.7008 68.1889 -69.4185 533.674 PRESSAVG: 1664600 -6.5421 -50.6069 -38.7564 -50.6069 20.2506 -15.1299 -38.7565 -15.1299 -3.42976 GPRESSAVG: 1664600 -6.43276 -49.9762 -39.5987 -49.8419 19.5016 -15.3409 -37.9358 -14.5417 -3.09681 TIMING: 1664600 CPU: 5263.04, 0.00316631/step Wall: 5263.04, 0.00316631/step, 2.93359 hours remaining, 236.367188 MB of memory in use. ENERGY: 1664600 3957.1127 20528.7909 14657.7660 246.6682 -203488.6430 2839.7982 0.0000 0.0000 51748.4685 -109510.0385 297.3992 -161258.5070 -109152.3024 298.6328 176.4647 203.2367 762823.0086 3.4262 3.3240 PRESSURE: 1664800 -449.104 -121.595 -278.598 -121.595 92.6648 -151.404 -278.597 -151.405 369.2 GPRESSURE: 1664800 -340.557 -170.32 -213.219 -79.6046 157.173 -117.64 -161.49 -190.332 291.113 PRESSAVG: 1664800 -99.9149 -77.223 -27.2248 -77.223 22.7634 -47.9055 -27.2249 -47.9056 8.39292 GPRESSAVG: 1664800 -99.3851 -78.1111 -26.7751 -76.6652 22.7052 -49.6628 -27.9869 -47.5424 7.95661 TIMING: 1664800 CPU: 5263.67, 0.00316608/step Wall: 5263.67, 0.00316608/step, 2.9332 hours remaining, 236.367188 MB of memory in use. ENERGY: 1664800 3933.7105 20355.2999 14647.0278 244.5753 -203264.7909 2576.9920 0.0000 0.0000 51984.6051 -109522.5803 298.7562 -161507.1854 -109165.5941 298.6009 4.2536 35.9099 764123.3014 -22.9195 -22.9078 PRESSURE: 1665000 122.745 -66.8542 108.923 -66.8538 145.436 107.984 108.923 107.985 106.354 GPRESSURE: 1665000 119.61 23.7722 94.3431 81.9994 178.08 74.6281 201.75 200.177 152.675 PRESSAVG: 1665000 -5.45166 -48.0649 -61.9729 -48.0649 20.1381 -50.1749 -61.9729 -50.1749 -0.264775 GPRESSAVG: 1665000 -6.29869 -46.9754 -61.3705 -45.1429 20.668 -48.4669 -63.495 -49.5166 0.151263 TIMING: 1665000 CPU: 5264.3, 0.0031362/step Wall: 5264.3, 0.0031362/step, 2.90534 hours remaining, 236.367188 MB of memory in use. ENERGY: 1665000 3897.3000 20596.1116 14599.9854 243.0923 -203350.6960 2747.4338 0.0000 0.0000 51695.0600 -109571.7128 297.0922 -161266.7728 -109204.2953 298.3895 124.8452 150.1218 762318.1997 4.8072 4.8402 PRESSURE: 1665200 -107.903 122.885 92.4818 122.885 48.0026 -15.7705 92.4824 -15.7712 52.1384 GPRESSURE: 1665200 22.5492 152.877 138.303 241.455 8.28761 -19.844 -32.4164 -56.1331 60.5402 PRESSAVG: 1665200 6.92262 -26.2812 -7.6953 -26.2812 -3.23463 14.8915 -7.69532 14.8914 13.0904 GPRESSAVG: 1665200 8.22763 -26.6532 -7.98094 -29.1544 -4.31777 13.212 -5.70965 15.6734 13.1176 TIMING: 1665200 CPU: 5264.93, 0.00314076/step Wall: 5264.93, 0.00314076/step, 2.90939 hours remaining, 236.367188 MB of memory in use. ENERGY: 1665200 3858.5399 20504.9731 14562.5710 255.8872 -203150.2501 2551.1898 0.0000 0.0000 52146.2597 -109270.8294 299.6853 -161417.0892 -108903.5814 298.7601 -2.5874 30.4590 761906.9841 5.5928 5.6758 PRESSURE: 1665400 337.137 91.8496 -236.2 91.8497 -492.275 135.631 -236.2 135.631 -1.13914 GPRESSURE: 1665400 214.702 -80.2525 -296.178 82.5012 -298.289 102.913 -170.97 184.155 31.9131 PRESSAVG: 1665400 21.713 -2.78086 18.2275 -2.78091 -5.60693 -1.34606 18.2275 -1.34611 28.7051 GPRESSAVG: 1665400 21.1042 -4.28227 17.0145 -1.67073 -5.01321 -0.986137 15.534 -3.34666 28.7749 TIMING: 1665400 CPU: 5265.56, 0.00318667/step Wall: 5265.56, 0.00318667/step, 2.95174 hours remaining, 236.367188 MB of memory in use. ENERGY: 1665400 3941.7959 20581.9102 14670.6448 269.3589 -203397.3567 2807.0486 0.0000 0.0000 51789.3690 -109337.2294 297.6342 -161126.5984 -108984.3711 298.9165 -52.0923 -17.2245 760322.6193 14.9370 14.9553 PRESSURE: 1665600 -124.521 -104.981 172.464 -104.983 129.108 297.796 172.465 297.796 -226.259 GPRESSURE: 1665600 -81.4663 -209.42 115.376 -15.9467 130.066 235.693 245.531 65.0475 -188.666 PRESSAVG: 1665600 -21.4978 2.08067 -3.10653 2.08063 12.6096 18.6605 -3.10654 18.6606 -24.5848 GPRESSAVG: 1665600 -22.5478 3.10463 -2.16566 2.09371 12.9813 20.9716 -3.1224 16.8972 -24.5235 TIMING: 1665600 CPU: 5266.2, 0.00316599/step Wall: 5266.2, 0.00316599/step, 2.93241 hours remaining, 236.367188 MB of memory in use. ENERGY: 1665600 3941.7695 20661.6230 14604.3337 246.9689 -203528.9220 2809.0920 0.0000 0.0000 52076.3114 -109188.8233 299.2833 -161265.1348 -108837.2082 299.5154 -73.8907 -46.6890 761842.1471 -11.1577 -11.3633 PRESSURE: 1665800 137.467 -43.6605 184.34 -43.6604 -238.176 76.378 184.34 76.3783 -333.922 GPRESSURE: 1665800 146.262 -75.0395 113.026 -17.9392 -200.571 29.0587 203.347 130.822 -286.6 PRESSAVG: 1665800 -11.6245 -14.8992 -42.2648 -14.8992 -3.87532 30.7654 -42.2649 30.7653 26.6306 GPRESSAVG: 1665800 -12.4158 -16.6515 -42.5413 -15.142 -3.39766 31.5944 -42.1419 32.6224 26.9913 TIMING: 1665800 CPU: 5266.83, 0.00318787/step Wall: 5266.83, 0.00318787/step, 2.9525 hours remaining, 236.367188 MB of memory in use. ENERGY: 1665800 3978.3906 20496.5785 14598.4118 242.9010 -203374.8841 2467.1162 0.0000 0.0000 52470.2752 -109121.2109 301.5474 -161591.4861 -108748.4381 299.4750 -144.8769 -113.6363 762034.6804 3.7103 3.7260 PRESSURE: 1666000 45.8695 -53.9379 33.9204 -53.9389 351.6 15.8704 33.9201 15.8695 150.557 GPRESSURE: 1666000 79.4665 -54.3933 3.51466 -18.7704 364.09 39.7888 51.4822 -31.0411 197.199 PRESSAVG: 1666000 -48.1669 -18.0142 -60.7289 -18.0142 -1.71944 20.1016 -60.7288 20.1015 2.77892 GPRESSAVG: 1666000 -46.7736 -15.8214 -61.1981 -17.0441 -2.57824 17.2281 -58.0174 20.2837 2.09996 TIMING: 1666000 CPU: 5267.47, 0.00316218/step Wall: 5267.47, 0.00316219/step, 2.92854 hours remaining, 236.367188 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: 1666000 4036.5331 20565.7880 14564.8055 246.4876 -203380.8958 2812.9811 0.0000 0.0000 52128.1675 -109026.1331 299.5813 -161154.3005 -108665.4217 299.7881 182.6753 213.5852 760942.9897 -15.7025 -15.7506 PRESSURE: 1666200 312.924 -111.889 -273.148 -111.889 221.392 45.0662 -273.148 45.0662 -185.124 GPRESSURE: 1666200 330.885 -140.717 -254.528 -12.3098 215.763 82.4368 -253.912 -9.30677 -103.622 PRESSAVG: 1666200 -46.3929 24.7016 -67.0911 24.7016 57.6645 55.5165 -67.0911 55.5165 0.96993 GPRESSAVG: 1666200 -47.653 23.9862 -64.5 24.7286 60.0425 56.4272 -68.6194 56.2246 0.029663 TIMING: 1666200 CPU: 5268.1, 0.00319228/step Wall: 5268.1, 0.00319228/step, 2.95623 hours remaining, 236.367188 MB of memory in use. ENERGY: 1666200 4054.7432 20575.3179 14609.0981 247.5739 -203189.8801 2584.6864 0.0000 0.0000 51985.3380 -109133.1227 298.7605 -161118.4607 -108764.4283 300.0890 116.3974 147.6751 760019.9604 4.0805 4.1397 PRESSURE: 1666400 -394.413 -23.5786 51.9823 -23.579 160.224 185.441 51.9824 185.44 -28.9543 GPRESSURE: 1666400 -329.516 3.03652 98.6382 -12.4948 259.95 109.982 -86.4555 135.96 -105.719 PRESSAVG: 1666400 -33.4255 37.0582 14.0043 37.0582 49.1896 27.9149 14.0044 27.915 -15.1299 GPRESSAVG: 1666400 -31.7114 38.3972 12.2084 35.6911 47.9525 28.3302 13.2302 27.6637 -14.8266 TIMING: 1666400 CPU: 5268.74, 0.00317203/step Wall: 5268.74, 0.00317203/step, 2.9373 hours remaining, 236.367188 MB of memory in use. ENERGY: 1666400 4002.8599 20634.8280 14593.8600 248.2927 -203616.6655 2676.5597 0.0000 0.0000 52343.6069 -109116.6584 300.8194 -161460.2653 -108751.8263 299.6108 -87.7145 -58.4283 760515.9188 0.2114 0.4715 PRESSURE: 1666600 59.7736 -113.142 -117.391 -113.141 -42.3325 110.478 -117.391 110.477 -106.919 GPRESSURE: 1666600 85.7349 -156.807 -164.747 5.24727 -53.5712 49.7836 -50.3505 90.8681 -30.7949 PRESSAVG: 1666600 28.6801 -91.0815 -23.412 -91.0815 -3.27662 17.7789 -23.4119 17.7789 16.3743 GPRESSAVG: 1666600 28.3399 -92.7355 -24.2909 -91.0169 -2.69208 18.3812 -23.1081 17.1951 15.9671 TIMING: 1666600 CPU: 5269.38, 0.00318901/step Wall: 5269.38, 0.00318901/step, 2.95285 hours remaining, 236.367188 MB of memory in use. ENERGY: 1666600 4011.5426 20606.6810 14651.5047 264.2544 -203071.3160 2537.9463 0.0000 0.0000 51889.4633 -109109.9237 298.2095 -160999.3870 -108748.1864 299.6113 -29.8260 0.4563 760486.8149 13.9259 13.8716 PRESSURE: 1666800 -20.7629 -89.4907 -111.797 -89.4903 298.27 261.728 -111.796 261.728 -133.305 GPRESSURE: 1666800 36.8682 -173.854 -130.623 -69.3854 231.263 271.037 -154.318 212.922 -43.0903 PRESSAVG: 1666800 29.8956 16.2151 1.92632 16.2152 -38.301 17.783 1.92629 17.7829 4.97625 GPRESSAVG: 1666800 29.2542 16.3546 2.49888 15.0215 -38.7331 18.6476 0.938657 17.4159 6.7281 TIMING: 1666800 CPU: 5270.01, 0.00317623/step Wall: 5270.01, 0.00317623/step, 2.94083 hours remaining, 236.367188 MB of memory in use. ENERGY: 1666800 4028.6653 20765.7812 14617.4215 244.5919 -203604.4811 2643.3934 0.0000 0.0000 52248.2641 -109056.3639 300.2715 -161304.6279 -108694.7104 299.9079 48.0676 75.0136 761334.2172 -1.1431 -0.9169 PRESSURE: 1667000 124.467 -99.8378 34.2931 -99.8383 360.858 178.014 34.2935 178.013 -30.0062 GPRESSURE: 1667000 194.516 -48.8515 63.6954 -82.8284 311.734 206.422 142.418 134.484 49.9328 PRESSAVG: 1667000 55.3647 -5.0085 -2.46497 -5.00848 -43.1618 20.449 -2.46493 20.4489 -6.61303 GPRESSAVG: 1667000 55.0181 -3.86396 -3.29889 -4.63115 -42.2695 19.4207 0.971039 21.0319 -7.24329 TIMING: 1667000 CPU: 5270.65, 0.00317487/step Wall: 5270.65, 0.00317487/step, 2.9394 hours remaining, 236.367188 MB of memory in use. ENERGY: 1667000 3935.7278 20367.0949 14622.9329 259.6570 -203508.8319 2777.3932 0.0000 0.0000 52329.7691 -109216.2570 300.7399 -161546.0261 -108850.2770 299.9695 151.7732 185.3941 759786.5179 1.8633 1.8351 PRESSURE: 1667200 -304.601 -149.652 -213.15 -149.653 -179.284 -183.384 -213.151 -183.385 -137.89 GPRESSURE: 1667200 -202.479 -186.997 -223.933 -26.8372 -143.393 -114.357 -243.169 -104.835 -192.195 PRESSAVG: 1667200 -22.2903 -56.0609 7.63249 -56.0609 29.5482 14.7479 7.63248 14.7478 -5.15763 GPRESSAVG: 1667200 -21.9318 -57.6822 6.66688 -54.8348 28.8874 14.5975 7.56859 16.3344 -5.13594 TIMING: 1667200 CPU: 5271.28, 0.00315025/step Wall: 5271.28, 0.00315025/step, 2.91643 hours remaining, 236.367188 MB of memory in use. ENERGY: 1667200 3990.5899 20488.7345 14627.3497 255.1298 -202910.8376 2462.1523 0.0000 0.0000 52138.7866 -108948.0949 299.6423 -161086.8815 -108591.7374 300.0787 -207.2582 -179.3559 761587.8962 0.7001 0.6066 PRESSURE: 1667400 19.2851 91.2222 -184.905 91.2227 55.9008 100.356 -184.905 100.356 424.324 GPRESSURE: 1667400 95.42 76.0789 -131.983 198.362 96.4937 110.939 -256.312 64.7927 413.971 PRESSAVG: 1667400 -34.0272 -26.564 -49.5804 -26.564 -18.1253 -32.7648 -49.5804 -32.7649 -1.56243 GPRESSAVG: 1667400 -33.2824 -25.5674 -46.7372 -28.0238 -18.3084 -32.8877 -53.4078 -33.2455 -2.61144 TIMING: 1667400 CPU: 5271.91, 0.0031657/step Wall: 5271.91, 0.0031657/step, 2.93056 hours remaining, 236.367188 MB of memory in use. ENERGY: 1667400 4170.5301 20400.8413 14624.7393 242.6239 -203587.4875 2888.7736 0.0000 0.0000 52212.4610 -109047.5182 300.0657 -161259.9792 -108686.8617 299.9656 166.5033 201.9616 761039.0518 -17.9050 -18.0674 PRESSURE: 1667600 -72.5066 -218.35 -149.721 -218.349 -143.159 4.42682 -149.722 4.42727 25.3194 GPRESSURE: 1667600 -88.7057 -228.162 -149.6 -296.111 -73.8546 34.5392 -112.96 53.7244 40.6178 PRESSAVG: 1667600 -7.3904 -33.163 -8.14777 -33.163 34.2864 17.055 -8.14784 17.0549 6.64755 GPRESSAVG: 1667600 -7.76341 -34.2359 -8.09361 -32.2415 33.7804 17.5099 -5.81994 15.5999 7.527 TIMING: 1667600 CPU: 5272.55, 0.00318555/step Wall: 5272.55, 0.00318555/step, 2.94876 hours remaining, 236.367188 MB of memory in use. ENERGY: 1667600 3991.1914 20647.5803 14546.1829 238.1854 -203087.0620 2386.5879 0.0000 0.0000 52207.4493 -109069.8848 300.0369 -161277.3341 -108702.8071 299.8940 -63.4486 -40.6475 762358.1477 11.1812 11.1813 PRESSURE: 1667800 -130.786 131.489 131.139 131.488 -246.406 -21.6411 131.139 -21.6423 -175.598 GPRESSURE: 1667800 -111.554 174.218 54.7991 133.545 -190.728 -93.3312 16.6187 12.2082 -165.593 PRESSAVG: 1667800 -13.9563 1.36442 -31.0865 1.36435 -2.14027 33.042 -31.0865 33.042 16.4181 GPRESSAVG: 1667800 -14.8209 1.9414 -33.0633 -0.153949 -0.444251 32.6753 -32.601 34.8811 15.2464 TIMING: 1667800 CPU: 5273.18, 0.00316687/step Wall: 5273.18, 0.00316687/step, 2.93129 hours remaining, 236.367188 MB of memory in use. ENERGY: 1667800 4004.3146 20762.6156 14547.9193 268.5874 -203279.6578 2634.2130 0.0000 0.0000 52155.4833 -108906.5247 299.7383 -161062.0080 -108545.7903 300.3072 -184.2632 -155.9584 763014.9324 0.1072 -0.0063 PRESSURE: 1668000 -129.903 -219.196 118.145 -219.196 -347.626 -242.644 118.145 -242.644 -480.13 GPRESSURE: 1668000 -145.548 -173.499 59.0966 -120.392 -322.606 -294.837 113.268 -255.208 -391.531 PRESSAVG: 1668000 36.3779 -33.4597 11.3934 -33.4597 -2.11715 45.4002 11.3934 45.4002 18.6228 GPRESSAVG: 1668000 35.795 -32.1401 12.7047 -32.3 -3.17484 44.9279 11.1136 45.6336 20.4917 TIMING: 1668000 CPU: 5273.82, 0.00318222/step Wall: 5273.82, 0.00318222/step, 2.94532 hours remaining, 236.367188 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: 1668000 4030.2722 20545.4707 14551.5548 245.4168 -203379.8287 2472.0567 0.0000 0.0000 52358.0068 -109177.0507 300.9022 -161535.0575 -108810.9602 300.2576 -319.2198 -286.5615 760615.9078 17.6278 17.7039 PRESSURE: 1668200 309.946 -129.766 40.0008 -129.766 -188.152 85.7663 40.0011 85.7661 98.2784 GPRESSURE: 1668200 305.732 -162.219 -39.9444 -155.117 -140.086 76.2114 113.118 67.3176 142.727 PRESSAVG: 1668200 39.5716 -29.1247 51.5919 -29.1247 -2.42185 34.1532 51.592 34.1533 3.24731 GPRESSAVG: 1668200 40.608 -30.6075 49.7925 -27.474 -2.83719 35.0502 52.6312 32.2135 3.02187 TIMING: 1668200 CPU: 5274.45, 0.00318774/step Wall: 5274.45, 0.00318774/step, 2.95026 hours remaining, 236.367188 MB of memory in use. ENERGY: 1668200 3970.4673 20370.6825 14623.1389 241.2139 -203665.0421 2782.1816 0.0000 0.0000 52309.4866 -109367.8713 300.6233 -161677.3579 -108999.7334 299.8151 73.3575 102.7909 760134.2186 13.4657 13.5976 LDB: ============= START OF LOAD BALANCING ============== 5286.99 LDB: ============== END OF LOAD BALANCING =============== 5286.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5286.99 LDB: ============= START OF LOAD BALANCING ============== 5287.31 LDB: Largest compute 7037 load 0.033759 is 17.3% of average load 0.195373 LDB: Average compute 0.004398 is 2.3% of average load 0.195373 LDB: TIME 5287.31 LOAD: AVG 0.195373 MAX 0.21692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 5287.31 LOAD: AVG 0.195373 MAX 0.21692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.812 MB LDB: TIME 5287.31 LOAD: AVG 0.195373 MAX 0.21692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.812 MB LDB: ============== END OF LOAD BALANCING =============== 5287.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5287.32 PRESSURE: 1668400 351.876 -149.284 -95.5172 -149.284 -73.2191 113.2 -95.5167 113.199 -237.984 GPRESSURE: 1668400 428.69 -244.765 -31.6029 -103.74 -59.979 18.4978 -48.4076 -51.2409 -224.235 PRESSAVG: 1668400 -1.86892 -59.0184 34.3015 -59.0184 -58.5303 55.9514 34.3015 55.9514 -9.22088 GPRESSAVG: 1668400 -0.743318 -57.911 34.7783 -61.3273 -59.092 54.9164 35.2352 57.1655 -9.10775 TIMING: 1668400 CPU: 5275.1, 0.00323733/step Wall: 5275.1, 0.00323733/step, 2.99597 hours remaining, 235.328125 MB of memory in use. ENERGY: 1668400 3932.5690 20553.3799 14533.1956 260.4053 -203168.6340 2532.3389 0.0000 0.0000 52023.9117 -109332.8335 298.9821 -161356.7452 -108981.6612 298.9659 13.5575 48.1588 760794.2738 -23.2067 -22.9810 PRESSURE: 1668600 16.0638 150.225 110.779 150.225 -383.849 254.268 110.78 254.267 -652.697 GPRESSURE: 1668600 21.7026 34.8449 102.961 126.582 -295.314 207.857 69.0994 331.458 -654.047 PRESSAVG: 1668600 -23.9287 -13.4665 48.5681 -13.4665 13.6762 -9.76496 48.568 -9.76509 20.6941 GPRESSAVG: 1668600 -24.863 -11.9674 50.122 -12.4017 13.969 -9.62922 46.3 -10.2574 21.0674 TIMING: 1668600 CPU: 5275.74, 0.00317204/step Wall: 5275.74, 0.00317204/step, 2.93537 hours remaining, 235.328125 MB of memory in use. ENERGY: 1668600 3922.8514 20457.5630 14576.2390 252.9007 -203110.5433 2484.0886 0.0000 0.0000 52212.9482 -109203.9524 300.0685 -161416.9006 -108838.1138 298.9463 -340.1606 -309.2192 761508.7795 3.4805 3.3911 PRESSURE: 1668800 -98.1487 -221.575 -121.788 -221.575 -259.136 76.0414 -121.788 76.0414 -206.309 GPRESSURE: 1668800 -106.876 -204.586 -58.84 -269.215 -198.959 -32.4425 -214.278 117.256 -174.089 PRESSAVG: 1668800 48.463 5.30127 -12.1709 5.30126 -14.7637 13.5624 -12.171 13.5624 -16.504 GPRESSAVG: 1668800 49.4188 1.98659 -13.4793 3.15814 -14.8607 13.6361 -8.98859 16.024 -18.1525 TIMING: 1668800 CPU: 5276.38, 0.00319413/step Wall: 5276.38, 0.00319413/step, 2.95564 hours remaining, 235.328125 MB of memory in use. ENERGY: 1668800 3964.2395 20532.1900 14650.7351 259.8957 -203180.2599 2772.9799 0.0000 0.0000 51951.4193 -109048.8004 298.5655 -161000.2197 -108686.1084 299.2686 -187.8644 -159.9744 762168.6529 5.7317 5.4685 PRESSURE: 1669000 24.7109 2.98037 -152.281 2.97954 -53.6131 -88.7515 -152.281 -88.7522 132.579 GPRESSURE: 1669000 -82.9779 -38.2241 -177.258 7.87777 124.735 -16.0607 -135.501 -118.95 153.049 PRESSAVG: 1669000 28.4724 -32.9549 -4.44932 -32.9549 -16.863 -24.7615 -4.4493 -24.7614 -20.7308 GPRESSAVG: 1669000 27.8724 -31.9689 -4.84611 -30.3633 -16.9321 -23.8736 -6.6918 -28.0975 -19.9332 TIMING: 1669000 CPU: 5277.01, 0.00319033/step Wall: 5277.01, 0.00319033/step, 2.95194 hours remaining, 235.328125 MB of memory in use. ENERGY: 1669000 4029.5797 20613.7912 14565.4617 263.6393 -203333.0784 2717.0837 0.0000 0.0000 52149.9970 -108993.5259 299.7067 -161143.5228 -108634.5417 299.6686 34.5590 64.9352 764061.6567 -3.0405 -2.9976 PRESSURE: 1669200 239.51 -121.65 -209.725 -121.649 264.644 -88.309 -209.726 -88.3081 220.077 GPRESSURE: 1669200 221.921 8.47211 -190.777 -233.638 336.89 -70.405 -168.38 -28.4406 236.937 PRESSAVG: 1669200 12.8726 -72.9794 -1.63783 -72.9794 -2.77438 -38.3766 -1.63786 -38.3766 -4.23249 GPRESSAVG: 1669200 12.9427 -70.7804 -0.191449 -74.8823 -1.84028 -38.5604 -2.11499 -37.7027 -4.9323 TIMING: 1669200 CPU: 5277.65, 0.00317116/step Wall: 5277.65, 0.00317116/step, 2.93402 hours remaining, 235.328125 MB of memory in use. ENERGY: 1669200 3959.5902 20607.7206 14587.8731 243.9836 -203266.0003 2651.1185 0.0000 0.0000 52072.2466 -109143.4678 299.2599 -161215.7144 -108788.4560 299.7772 241.4107 265.2492 763044.8326 1.9553 2.0567 PRESSURE: 1669400 85.3325 -147.219 0.947318 -147.219 195.641 -11.8414 0.947184 -11.8416 43.4565 GPRESSURE: 1669400 0.216779 -91.1863 -57.2841 -129.774 350.808 29.4734 -27.0572 64.6108 66.2109 PRESSAVG: 1669400 -0.574473 -47.1813 -14.2576 -47.1813 13.082 9.58076 -14.2575 9.58078 6.6534 GPRESSAVG: 1669400 0.201569 -49.5991 -15.6692 -45.918 11.656 9.97763 -11.4552 9.59868 7.51156 TIMING: 1669400 CPU: 5278.28, 0.0031838/step Wall: 5278.28, 0.0031838/step, 2.94555 hours remaining, 235.328125 MB of memory in use. ENERGY: 1669400 3951.3568 20371.4595 14599.2635 261.4382 -202919.0438 2701.9675 0.0000 0.0000 51942.9044 -109090.6539 298.5166 -161033.5583 -108730.7681 299.3290 108.1433 139.0786 761983.2272 6.3870 6.4564 PRESSURE: 1669600 14.7201 -82.1009 43.5785 -82.1009 221.848 -78.7166 43.5794 -78.7156 90.272 GPRESSURE: 1669600 121.847 -155.947 -3.62477 -110.823 203.643 -120.232 -50.9495 -33.7705 79.9786 PRESSAVG: 1669600 -13.6703 -3.62052 -49.1965 -3.62051 23.726 -5.06179 -49.1965 -5.06187 -0.0797656 GPRESSAVG: 1669600 -13.2698 -3.47348 -48.0728 -1.59294 23.5212 -6.59066 -51.7339 -4.00643 -0.476089 TIMING: 1669600 CPU: 5278.92, 0.0031814/step Wall: 5278.92, 0.0031814/step, 2.94314 hours remaining, 235.328125 MB of memory in use. ENERGY: 1669600 3903.0296 20585.6755 14675.7391 256.8491 -202875.0883 2433.3556 0.0000 0.0000 52178.8819 -108841.5576 299.8728 -161020.4395 -108487.5940 300.1296 108.9467 135.1565 762483.0858 3.3253 3.2584 PRESSURE: 1669800 26.7285 -58.8317 -61.0391 -58.8311 -23.5319 -237.548 -61.0392 -237.55 -173.878 GPRESSURE: 1669800 83.6302 -134.397 -132.728 -38.7181 -26.5563 -219.086 -77.4335 -163.786 -145.503 PRESSAVG: 1669800 -21.6727 -15.5477 52.618 -15.5477 29.1197 -5.6504 52.6179 -5.65032 -20.6389 GPRESSAVG: 1669800 -21.4348 -15.3039 50.7008 -17.5203 29.7099 -4.50241 52.8422 -5.90613 -21.9826 TIMING: 1669800 CPU: 5279.56, 0.00318363/step Wall: 5279.56, 0.00318363/step, 2.94504 hours remaining, 235.343750 MB of memory in use. ENERGY: 1669800 3909.8187 20411.1239 14572.9566 234.4031 -203038.7278 2512.5805 0.0000 0.0000 52230.2992 -109167.5459 300.1682 -161397.8451 -108795.1139 299.7090 -56.8939 -29.4763 763348.2901 -4.3973 -4.5692 PRESSURE: 1670000 227.12 -128.844 287.303 -128.844 -72.5043 146.51 287.304 146.511 16.4101 GPRESSURE: 1670000 266.748 -195.902 329.289 -120.634 -94.4958 121.524 246.142 136.901 78.9128 PRESSAVG: 1670000 -18.7039 -24.0198 52.5566 -24.0198 41.4391 6.8359 52.5565 6.83583 13.9245 GPRESSAVG: 1670000 -19.637 -25.9189 53.2266 -22.02 41.006 6.59692 52.1996 6.54697 15.1592 TIMING: 1670000 CPU: 5280.19, 0.00315487/step Wall: 5280.19, 0.00315487/step, 2.91825 hours remaining, 235.343750 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: 1670000 3942.7854 20438.4465 14598.1438 251.0413 -203221.6974 2637.2851 0.0000 0.0000 52093.9554 -109260.0400 299.3847 -161353.9954 -108897.7160 299.6103 57.0085 83.7216 762650.3796 12.2199 12.1761 PRESSURE: 1670200 268.209 102.724 181.478 102.724 -204.539 -58.3258 181.478 -58.326 -267.269 GPRESSURE: 1670200 264.849 45.6876 145.115 143.232 -84.3598 -90.2918 91.0072 -57.8327 -294.093 PRESSAVG: 1670200 -29.2304 7.51291 2.97392 7.51292 -23.7561 -9.86744 2.9739 -9.86746 -15.1812 GPRESSAVG: 1670200 -29.5782 8.93932 2.81655 7.81324 -23.8146 -11.0915 2.96878 -9.24656 -15.1168 TIMING: 1670200 CPU: 5280.82, 0.00316843/step Wall: 5280.82, 0.00316843/step, 2.93062 hours remaining, 235.343750 MB of memory in use. ENERGY: 1670200 3898.5484 20490.0056 14566.5264 232.0621 -203225.2052 2767.0812 0.0000 0.0000 52144.9652 -109126.0162 299.6778 -161270.9815 -108762.0809 299.1788 -67.8662 -37.8682 763800.4382 -22.7225 -22.8365 PRESSURE: 1670400 20.924 28.1135 15.5302 28.1138 27.8286 -190.597 15.5312 -190.595 235.323 GPRESSURE: 1670400 -96.5678 -61.878 -49.1284 52.005 151.811 -129.521 76.6559 -109.196 304.272 PRESSAVG: 1670400 -22.2389 -25.5286 30.7742 -25.5286 62.3451 21.2409 30.7741 21.2409 -12.1115 GPRESSAVG: 1670400 -22.9135 -25.0589 31.494 -25.1581 62.6924 21.694 30.6369 20.6181 -11.6513 TIMING: 1670400 CPU: 5281.46, 0.00319592/step Wall: 5281.46, 0.00319592/step, 2.95587 hours remaining, 235.414062 MB of memory in use. ENERGY: 1670400 3957.6629 20404.0925 14588.1115 241.4991 -203166.6677 2508.1223 0.0000 0.0000 52187.9289 -109279.2504 299.9247 -161467.1792 -108911.0074 299.1437 94.6918 119.8386 763619.4796 9.3315 9.3759 PRESSURE: 1670600 232.251 -66.1225 -75.2998 -66.1228 -165.919 -86.9526 -75.3001 -86.9533 148.073 GPRESSURE: 1670600 291.534 17.5889 -30.7792 -71.6422 -132.777 -138.629 -174.363 -106.191 141.89 PRESSAVG: 1670600 36.6719 -19.9693 26.0333 -19.9692 -16.3547 -0.206224 26.0332 -0.206209 12.9596 GPRESSAVG: 1670600 38.4441 -18.884 25.1619 -22.6197 -17.8259 1.96532 27.008 -0.199146 12.8417 TIMING: 1670600 CPU: 5282.1, 0.00318639/step Wall: 5282.1, 0.00318639/step, 2.94688 hours remaining, 235.414062 MB of memory in use. ENERGY: 1670600 4036.9190 20492.4860 14574.1580 253.0117 -202909.8036 2501.7962 0.0000 0.0000 51953.7895 -109097.6432 298.5791 -161051.4327 -108745.7762 299.1425 71.4683 100.2155 764475.6789 11.0923 11.1533 PRESSURE: 1670800 -199.987 -103.501 -157.744 -103.501 374.595 -116.394 -157.744 -116.394 -38.2205 GPRESSURE: 1670800 -93.5675 -95.5572 -138.311 -74.6061 393.255 -111.05 -134.418 -144.347 -65.4138 PRESSAVG: 1670800 30.9741 -2.54087 -28.2467 -2.54089 -41.5851 2.65113 -28.2467 2.65118 -3.41064 GPRESSAVG: 1670800 30.473 -4.20167 -28.4062 -0.000264962 -40.4774 0.463478 -29.144 3.16334 -4.18 TIMING: 1670800 CPU: 5282.73, 0.00317588/step Wall: 5282.73, 0.00317588/step, 2.93698 hours remaining, 235.414062 MB of memory in use. ENERGY: 1670800 3968.8838 20276.8080 14570.6910 250.9333 -202824.7397 2362.5132 0.0000 0.0000 52228.8482 -109166.0622 300.1599 -161394.9104 -108795.8060 299.5086 45.4625 78.0912 762323.0977 -4.6739 -4.7281 PRESSURE: 1671000 33.8139 32.3232 -180.892 32.3238 2.29842 -103.354 -180.892 -103.352 -211.812 GPRESSURE: 1671000 73.8267 37.6811 -176.918 45.0792 -13.4244 -96.1657 -45.5821 -125.902 -157.625 PRESSAVG: 1671000 85.9707 -34.6615 19.7765 -34.6615 -73.9419 13.248 19.7765 13.248 19.1976 GPRESSAVG: 1671000 86.614 -34.0275 19.8804 -35.0757 -74.4887 14.9189 21.0276 10.5953 19.0451 TIMING: 1671000 CPU: 5283.38, 0.00321081/step Wall: 5283.38, 0.00321081/step, 2.96911 hours remaining, 235.414062 MB of memory in use. ENERGY: 1671000 3939.5130 20422.0842 14564.7111 272.1697 -203178.6743 2606.4742 0.0000 0.0000 52266.2207 -109107.5015 300.3747 -161373.7222 -108746.2655 299.3794 -58.5665 -32.4074 762938.5178 10.4088 10.3901 PRESSURE: 1671200 290.424 -15.2263 -160.24 -15.2266 212.242 84.6409 -160.241 84.6407 134.503 GPRESSURE: 1671200 302.043 36.1083 -132.445 10.1387 192.882 85.5134 -335.051 40.93 227.99 PRESSAVG: 1671200 9.09557 9.04135 -19.4039 9.04129 -6.8351 -14.9874 -19.404 -14.9873 29.092 GPRESSAVG: 1671200 7.0092 11.2913 -19.1739 7.74074 -6.95086 -15.9153 -20.4869 -12.4585 30.9644 TIMING: 1671200 CPU: 5284.01, 0.00318138/step Wall: 5284.01, 0.00318138/step, 2.94171 hours remaining, 235.414062 MB of memory in use. ENERGY: 1671200 3932.8247 20606.3060 14576.0942 246.8664 -203337.5937 2879.5752 0.0000 0.0000 52086.7339 -109009.1934 299.3432 -161095.9272 -108648.4359 299.1925 212.3897 240.9719 762264.6068 10.4508 10.3409 PRESSURE: 1671400 153.312 66.1044 141.93 66.1053 -258.58 99.9798 141.93 99.9814 355.422 GPRESSURE: 1671400 78.7605 116.631 120.891 66.5158 -130.934 86.7229 166.344 99.1789 386.465 PRESSAVG: 1671400 39.6943 15.4346 -19.4635 15.4346 1.81552 -6.77594 -19.4635 -6.77592 -14.6038 GPRESSAVG: 1671400 40.13 12.2169 -19.3688 15.7341 2.91222 -6.92797 -19.9877 -8.89605 -16.3484 TIMING: 1671400 CPU: 5284.65, 0.00320462/step Wall: 5284.65, 0.00320462/step, 2.96302 hours remaining, 235.414062 MB of memory in use. ENERGY: 1671400 3932.8549 20519.8252 14553.7562 232.3928 -203215.3163 2704.5492 0.0000 0.0000 52050.6225 -109221.3155 299.1356 -161271.9380 -108864.6693 299.6888 83.3847 111.4303 761562.2898 8.9687 8.8980 PRESSURE: 1671600 225.684 8.97307 3.9368 8.97273 106.275 -1.25595 3.93833 -1.25582 141.883 GPRESSURE: 1671600 260.001 -13.9573 73.9212 118.237 162.294 3.31743 138.562 130.456 131.731 PRESSAVG: 1671600 51.101 13.5751 -7.50209 13.5751 -14.7661 -20.9461 -7.50206 -20.9461 18.186 GPRESSAVG: 1671600 49.4603 14.6201 -8.30919 13.2325 -15.3472 -21.7484 -5.89156 -20.0754 20.4074 TIMING: 1671600 CPU: 5285.29, 0.00318951/step Wall: 5285.29, 0.00318951/step, 2.94888 hours remaining, 235.414062 MB of memory in use. ENERGY: 1671600 4001.5998 20272.1153 14604.8956 267.8695 -203534.6855 2837.2224 0.0000 0.0000 52323.9827 -109227.0002 300.7066 -161550.9829 -108857.1509 299.0647 157.9470 184.6751 761451.6951 18.1736 18.1735 PRESSURE: 1671800 -243.225 84.5634 172.089 84.5632 -87.6018 -157.234 172.089 -157.233 -444.371 GPRESSURE: 1671800 -147.697 99.1115 79.8653 93.3065 -46.698 -214.834 235.815 -57.3991 -502.768 PRESSAVG: 1671800 31.8487 -18.8941 78.8124 -18.8941 -0.0926514 -3.66781 78.8124 -3.66788 21.1344 GPRESSAVG: 1671800 33.1342 -16.8154 78.2152 -20.7684 0.61518 -2.06689 78.2518 -3.56199 18.5367 TIMING: 1671800 CPU: 5285.92, 0.00315769/step Wall: 5285.92, 0.00315769/step, 2.91928 hours remaining, 235.414062 MB of memory in use. ENERGY: 1671800 3987.9522 20382.7414 14554.8179 257.1429 -203159.6362 2479.1992 0.0000 0.0000 52433.9452 -109063.8373 301.3386 -161497.7826 -108687.3828 299.6735 -258.3995 -232.3877 764120.5016 17.6301 17.4287 PRESSURE: 1672000 309.455 198.213 77.7349 198.212 6.25169 32.2019 77.7354 32.2023 102.248 GPRESSURE: 1672000 356.755 192.1 102.306 179.04 52.0275 78.3807 70.8561 -61.1827 87.9605 PRESSAVG: 1672000 41.4969 -8.21779 -15.1527 -8.21782 -63.3901 -14.7194 -15.1527 -14.7194 -4.4769 GPRESSAVG: 1672000 40.3749 -9.93073 -12.72 -6.22048 -63.4887 -16.095 -15.2312 -15.2971 -3.22066 TIMING: 1672000 CPU: 5286.56, 0.00318948/step Wall: 5286.56, 0.00318948/step, 2.9485 hours remaining, 235.414062 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: 1672000 3915.8010 20490.1751 14544.6436 243.8469 -203205.2015 2616.8015 0.0000 0.0000 52135.9905 -109257.9429 299.6263 -161393.9334 -108893.5266 299.4894 139.3180 165.5811 762234.2340 -8.7900 -8.7782 PRESSURE: 1672200 81.2075 -81.9995 -114.823 -81.9986 51.4244 154.641 -114.823 154.639 67.9516 GPRESSURE: 1672200 62.6396 14.8403 -48.0262 -134.358 91.7623 202.251 -116.039 3.97557 138.933 PRESSAVG: 1672200 -25.2961 -13.7017 -16.2722 -13.7016 25.0408 -22.6713 -16.2722 -22.6714 -14.8412 GPRESSAVG: 1672200 -23.1722 -13.6454 -17.4064 -14.9403 23.7125 -20.5722 -16.6237 -24.0672 -15.6763 TIMING: 1672200 CPU: 5287.19, 0.00316451/step Wall: 5287.19, 0.00316451/step, 2.92524 hours remaining, 235.414062 MB of memory in use. ENERGY: 1672200 3877.1043 20393.6932 14483.8658 245.0079 -203323.8451 2696.1896 0.0000 0.0000 52284.2801 -109343.7042 300.4785 -161627.9843 -108971.0596 299.4563 66.8611 97.7783 762249.5797 -5.0322 -5.0453 LDB: ============= START OF LOAD BALANCING ============== 5299.73 LDB: ============== END OF LOAD BALANCING =============== 5299.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5299.73 LDB: ============= START OF LOAD BALANCING ============== 5300.05 LDB: Largest compute 7042 load 0.031111 is 15.9% of average load 0.195488 LDB: Average compute 0.004377 is 2.2% of average load 0.195488 LDB: TIME 5300.05 LOAD: AVG 0.195488 MAX 0.216184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 5300.05 LOAD: AVG 0.195488 MAX 0.216184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 5300.05 LOAD: AVG 0.195488 MAX 0.216184 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 5300.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5300.06 PRESSURE: 1672400 218.345 117.369 99.8483 117.368 38.877 197.654 99.8471 197.653 -240.349 GPRESSURE: 1672400 275.249 83.3101 180.237 23.9415 37.2635 154.438 61.6491 110.369 -216.586 PRESSAVG: 1672400 -10.9356 20.1989 -23.8687 20.1989 -30.1003 -14.3489 -23.8687 -14.349 12.0652 GPRESSAVG: 1672400 -11.6966 18.8494 -23.2014 20.8396 -29.5629 -12.5625 -23.7939 -13.9985 12.2516 TIMING: 1672400 CPU: 5287.84, 0.0032472/step Wall: 5287.84, 0.0032472/step, 3.0015 hours remaining, 236.164062 MB of memory in use. ENERGY: 1672400 3860.6333 20522.8266 14604.4547 234.7008 -203431.2242 2666.3902 0.0000 0.0000 52288.5727 -109253.6460 300.5031 -161542.2186 -108892.6134 299.3651 5.6242 31.9754 760979.9160 -9.6569 -9.6693 PRESSURE: 1672600 -505.178 -94.6767 -271.776 -94.6772 44.5866 145.07 -271.776 145.07 5.60055 GPRESSURE: 1672600 -375.861 -108.857 -196.243 -56.7213 29.2411 108.769 -343.181 165.939 -37.3491 PRESSAVG: 1672600 28.6452 4.90985 -88.6786 4.9099 -34.9497 -3.33751 -88.6786 -3.33748 12.6063 GPRESSAVG: 1672600 28.6719 8.24197 -88.7529 5.12107 -35.0555 -5.29353 -86.2402 -2.51628 12.441 TIMING: 1672600 CPU: 5288.47, 0.00315333/step Wall: 5288.47, 0.00315333/step, 2.91456 hours remaining, 236.492188 MB of memory in use. ENERGY: 1672600 4084.0073 20582.8953 14534.5177 251.4393 -203167.2498 2513.5793 0.0000 0.0000 51869.1924 -109331.6186 298.0930 -161200.8110 -108976.6290 299.7506 -151.6638 -127.9895 760019.0362 2.1006 2.0191 PRESSURE: 1672800 55.0436 190.571 -19.9709 190.57 130.553 123.939 -19.9706 123.938 223.327 GPRESSURE: 1672800 85.8759 9.09659 -33.7588 90.7084 139.111 128.685 -38.3851 212.909 260.235 PRESSAVG: 1672800 53.3639 2.98545 9.08067 2.98545 -27.5452 34.2784 9.08066 34.2783 5.51956 GPRESSAVG: 1672800 52.2613 1.28859 10.327 2.11093 -28.1145 34.2445 6.15752 34.1315 6.9019 TIMING: 1672800 CPU: 5289.11, 0.00316809/step Wall: 5289.11, 0.00316809/step, 2.92802 hours remaining, 236.492188 MB of memory in use. ENERGY: 1672800 4020.6677 20491.6944 14486.1349 241.8636 -202706.1186 2164.8986 0.0000 0.0000 52031.3342 -109269.5252 299.0248 -161300.8594 -108914.2791 299.0522 136.3078 161.7409 760754.4762 10.4461 10.3496 PRESSURE: 1673000 119.498 152.995 152.242 152.995 -144.97 126.262 152.242 126.262 -453.084 GPRESSURE: 1673000 165.512 117.031 199.838 105.856 -95.1957 64.7253 64.8831 178.556 -437.25 PRESSAVG: 1673000 8.24594 -6.16025 30.4155 -6.1602 35.4622 12.3156 30.4155 12.3155 8.31333 GPRESSAVG: 1673000 8.92599 -7.2131 29.6611 -5.45809 36.2884 13.2385 30.501 12.6091 7.57475 TIMING: 1673000 CPU: 5289.74, 0.00316699/step Wall: 5289.74, 0.00316699/step, 2.92683 hours remaining, 236.492188 MB of memory in use. ENERGY: 1673000 3983.5758 20403.3916 14608.6475 231.8474 -203144.6017 2264.9119 0.0000 0.0000 52405.4316 -109246.7959 301.1747 -161652.2275 -108876.5877 299.5005 -159.5187 -122.3112 760298.7422 17.3405 17.5964 PRESSURE: 1673200 38.9744 -23.3611 -102.522 -23.3625 169.032 2.45598 -102.523 2.4567 139.193 GPRESSURE: 1673200 83.0999 121.754 -32.507 -116.861 180.725 39.1211 -55.1423 44.9867 176.721 PRESSAVG: 1673200 32.1318 -45.7342 41.996 -45.7342 -54.601 -0.256387 41.996 -0.25639 11.9882 GPRESSAVG: 1673200 32.0705 -44.0668 40.3916 -46.404 -55.1205 -1.83867 44.6987 0.720869 12.497 TIMING: 1673200 CPU: 5290.37, 0.00314495/step Wall: 5290.37, 0.00314495/step, 2.90629 hours remaining, 236.492188 MB of memory in use. ENERGY: 1673200 3944.7061 20405.8010 14610.6066 237.8980 -203360.3208 2869.6874 0.0000 0.0000 52372.7441 -108918.8776 300.9869 -161291.6217 -108552.1119 299.3385 115.7333 146.8486 761778.6141 -3.4937 -3.5177 PRESSURE: 1673400 102.358 -79.6476 37.7936 -79.6487 -123.084 86.4755 37.793 86.4756 12.7308 GPRESSURE: 1673400 50.2162 -38.7325 -17.389 -30.5179 -48.2928 86.9419 33.9545 26.4317 73.4897 PRESSAVG: 1673400 -8.10275 -90.6796 4.49388 -90.6796 35.9324 -2.66032 4.49395 -2.66024 7.92832 GPRESSAVG: 1673400 -8.72989 -89.8862 3.6683 -90.4422 35.7514 -1.98816 3.54955 -2.73942 8.49999 TIMING: 1673400 CPU: 5291, 0.00314527/step Wall: 5291, 0.00314527/step, 2.9064 hours remaining, 236.492188 MB of memory in use. ENERGY: 1673400 3973.8087 20374.7279 14661.3953 251.2405 -203121.4012 2650.3549 0.0000 0.0000 52317.2945 -108892.5793 300.6682 -161209.8738 -108511.2901 299.7969 -2.6648 25.1377 761191.2679 11.9193 11.8405 PRESSURE: 1673600 96.0484 -271.081 -312.133 -271.081 -176.769 167.412 -312.132 167.412 373.596 GPRESSURE: 1673600 174.54 -269.116 -304.991 -244.681 -159.888 153.304 -225.469 147.817 377.203 PRESSAVG: 1673600 5.29982 -43.7239 -34.747 -43.724 -24.6304 36.2924 -34.747 36.2924 -14.5174 GPRESSAVG: 1673600 5.66877 -46.5854 -33.3709 -43.0656 -24.2081 34.2968 -37.5136 36.8614 -15.4801 TIMING: 1673600 CPU: 5291.64, 0.00320062/step Wall: 5291.64, 0.00320062/step, 2.95738 hours remaining, 236.492188 MB of memory in use. ENERGY: 1673600 3985.1133 20731.7712 14541.7117 229.2899 -202981.6595 2536.8446 0.0000 0.0000 52043.2289 -108913.6999 299.0932 -160956.9288 -108562.9571 299.9554 97.6251 130.6182 760504.8330 -11.2827 -11.3398 PRESSURE: 1673800 45.213 164.869 -248.019 164.868 -102.389 -108.446 -248.019 -108.446 -84.0195 GPRESSURE: 1673800 67.6995 86.2958 -298.975 143.863 -48.4647 -129.147 -10.5533 13.0542 -59.4518 PRESSAVG: 1673800 16.3047 -20.5722 -52.5802 -20.5722 -16.8112 42.9593 -52.5802 42.9593 39.2424 GPRESSAVG: 1673800 16.4287 -20.0019 -53.3493 -23.4501 -16.7633 45.0501 -50.9723 43.4187 39.5399 TIMING: 1673800 CPU: 5292.27, 0.00318002/step Wall: 5292.27, 0.00318002/step, 2.93816 hours remaining, 236.492188 MB of memory in use. ENERGY: 1673800 4095.5599 20633.1034 14606.9681 242.5570 -203124.8194 2534.9498 0.0000 0.0000 52187.4180 -108824.2631 299.9218 -161011.6811 -108465.0944 300.4456 -47.0652 -13.4057 763045.4321 12.9120 13.0684 PRESSURE: 1674000 -107.261 6.1868 -31.9514 6.18798 -409.219 -265.914 -31.9511 -265.915 335.178 GPRESSURE: 1674000 -87.6356 -17.2938 34.6386 -9.33235 -387.407 -208.229 -62.8704 -249.245 365.772 PRESSAVG: 1674000 -25.0035 -29.2398 -24.2796 -29.2398 -35.8556 18.3145 -24.2796 18.3145 10.3419 GPRESSAVG: 1674000 -24.8859 -27.8677 -22.8098 -27.6299 -35.6387 17.8965 -23.8734 15.8635 9.90524 TIMING: 1674000 CPU: 5292.91, 0.00317337/step Wall: 5292.91, 0.00317337/step, 2.93184 hours remaining, 236.492188 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: 1674000 3926.8288 20610.8926 14656.7698 266.2886 -202522.9773 2362.8980 0.0000 0.0000 52178.5299 -108520.7695 299.8707 -160699.2994 -108164.9235 300.4772 -60.4342 -36.4235 763556.0856 -16.8391 -16.8731 PRESSURE: 1674200 251.972 -141.531 -57.0845 -141.531 407.018 158.726 -57.0851 158.726 391.771 GPRESSURE: 1674200 357.346 -126.191 -17.7969 56.1037 367.129 159.117 -85.8775 74.5006 421.916 PRESSAVG: 1674200 6.76495 -37.4167 49.2884 -37.4167 -4.93905 -18.7154 49.2884 -18.7154 -15.9495 GPRESSAVG: 1674200 5.97742 -37.104 50.2604 -36.9621 -4.68515 -19.8245 46.7222 -16.139 -15.8508 TIMING: 1674200 CPU: 5293.55, 0.00317883/step Wall: 5293.55, 0.00317883/step, 2.93671 hours remaining, 236.492188 MB of memory in use. ENERGY: 1674200 4018.5621 20502.0433 14599.5839 233.3432 -203292.3571 2938.9217 0.0000 0.0000 52247.6485 -108752.2544 300.2680 -160999.9028 -108389.4173 301.2797 350.2538 382.1302 761026.4507 -4.7079 -4.8528 PRESSURE: 1674400 -143.092 41.4753 -71.948 41.4756 -388.949 -187.081 -71.9495 -187.081 72.4471 GPRESSURE: 1674400 -141.117 -13.0029 -50.0585 30.9216 -286.072 -155.024 -164.454 -223.495 75.5051 PRESSAVG: 1674400 9.46096 7.21821 -18.1476 7.21824 6.55927 13.8832 -18.1476 13.8832 -2.86795 GPRESSAVG: 1674400 9.77758 4.65051 -19.4724 7.49411 5.26505 13.9392 -17.7823 15.1192 -2.08564 TIMING: 1674400 CPU: 5294.18, 0.0031917/step Wall: 5294.18, 0.0031917/step, 2.94842 hours remaining, 236.492188 MB of memory in use. ENERGY: 1674400 4078.3811 20466.1792 14575.9205 250.5863 -202848.2946 2460.8339 0.0000 0.0000 52275.4945 -108740.8991 300.4280 -161016.3936 -108373.6375 300.4318 -153.1982 -117.2279 764330.0000 4.3841 4.3190 PRESSURE: 1674600 106.096 51.5863 -11.2212 51.5873 216.658 248.404 -11.2208 248.404 -39.586 GPRESSURE: 1674600 63.0726 104.652 24.7274 189.463 230.505 162.23 -34.7529 250.105 69.29 PRESSAVG: 1674600 -1.74191 9.99988 13.624 9.99987 -36.8667 52.6924 13.6239 52.6923 -20.7543 GPRESSAVG: 1674600 -2.62553 11.8668 14.0832 9.99923 -35.5643 53.9658 13.3881 50.5229 -21.142 TIMING: 1674600 CPU: 5294.82, 0.00320088/step Wall: 5294.82, 0.00320088/step, 2.95672 hours remaining, 236.492188 MB of memory in use. ENERGY: 1674600 4027.5062 20487.6583 14565.6886 269.4502 -202841.9615 2515.5028 0.0000 0.0000 52291.0642 -108685.0912 300.5175 -160976.1554 -108311.1977 300.4645 94.3893 120.9559 761761.4926 -19.7877 -19.7773 PRESSURE: 1674800 172.144 159.394 13.6622 159.394 7.62686 121.057 13.6629 121.057 -65.7909 GPRESSURE: 1674800 214.056 114.356 35.2977 114.904 61.3706 206.521 -21.705 129.772 -67.5559 PRESSAVG: 1674800 18.3715 -58.0928 5.03191 -58.0928 -34.0998 57.9248 5.03193 57.9248 25.8798 GPRESSAVG: 1674800 19.577 -58.2173 4.28187 -57.4009 -34.5954 57.212 5.09326 55.8491 24.5058 TIMING: 1674800 CPU: 5295.47, 0.00320826/step Wall: 5295.47, 0.00320826/step, 2.96336 hours remaining, 236.492188 MB of memory in use. ENERGY: 1674800 4022.9915 20562.0245 14480.6003 240.8290 -202919.8672 2750.7603 0.0000 0.0000 52120.7301 -108741.9315 299.5386 -160862.6616 -108374.3677 300.1673 37.9934 69.2901 762204.7045 3.3838 3.1625 PRESSURE: 1675000 -261.339 43.9672 66.2769 43.9671 -271.492 20.8587 66.2764 20.8592 432.028 GPRESSURE: 1675000 -230.629 59.5638 136.95 155.253 -209.41 -62.0617 60.7689 177.102 425.091 PRESSAVG: 1675000 29.6622 -23.3826 27.979 -23.3826 -41.1973 -16.394 27.979 -16.394 8.56267 GPRESSAVG: 1675000 30.1067 -25.6457 28.4358 -21.2741 -41.2337 -15.4999 29.4399 -14.0457 8.4525 TIMING: 1675000 CPU: 5296.1, 0.00317288/step Wall: 5296.1, 0.00317288/step, 2.9305 hours remaining, 236.492188 MB of memory in use. ENERGY: 1675000 3889.5154 20474.9151 14566.5413 254.1667 -203171.2551 2524.3117 0.0000 0.0000 52682.9882 -108778.8168 302.7699 -161461.8050 -108405.0045 300.3323 -33.6009 -4.9826 761574.4858 -0.9908 -0.8915 PRESSURE: 1675200 -26.6119 32.2462 35.7163 32.246 -205.009 50.3753 35.7167 50.3751 95.1218 GPRESSURE: 1675200 32.1739 60.276 -11.6261 84.8281 -206.699 -24.207 -39.9705 -36.8526 135.106 PRESSAVG: 1675200 -15.8933 -8.97298 -25.3552 -8.97301 -28.1262 8.37624 -25.3552 8.37614 27.9832 GPRESSAVG: 1675200 -17.241 -5.96365 -27.1679 -11.9174 -29.118 5.95215 -24.5872 9.13833 29.7627 TIMING: 1675200 CPU: 5296.73, 0.00315552/step Wall: 5296.73, 0.00315552/step, 2.9143 hours remaining, 236.750000 MB of memory in use. ENERGY: 1675200 3964.5941 20604.4582 14473.1489 251.2005 -202866.1327 2474.7079 0.0000 0.0000 52206.3682 -108891.6550 300.0307 -161098.0232 -108529.4532 300.1874 -45.4999 -13.1397 763185.5135 -5.3455 -5.5321 PRESSURE: 1675400 -275.911 -30.0272 126.51 -30.0272 92.8876 93.2668 126.509 93.2668 -204.026 GPRESSURE: 1675400 -200.955 39.4278 49.3646 -30.1469 92.7901 177.927 150.229 218.684 -180.848 PRESSAVG: 1675400 -1.24415 -4.53103 -10.7452 -4.53102 -27.8176 25.0586 -10.7452 25.0586 -9.54762 GPRESSAVG: 1675400 -1.74592 -5.35269 -10.8765 -3.70439 -27.4422 27.2597 -12.2783 24.2216 -9.65094 TIMING: 1675400 CPU: 5297.36, 0.0031479/step Wall: 5297.36, 0.0031479/step, 2.90708 hours remaining, 236.750000 MB of memory in use. ENERGY: 1675400 3963.7028 20554.0401 14550.5970 240.7163 -203376.2629 2823.0661 0.0000 0.0000 52327.6475 -108916.4930 300.7277 -161244.1405 -108546.6121 299.8182 -129.0163 -96.3376 761961.6960 -12.8698 -12.9464 PRESSURE: 1675600 -81.4743 21.4886 127.773 21.4884 -266.478 11.3548 127.773 11.3551 47.8234 GPRESSURE: 1675600 -6.58605 11.5897 99.7641 62.3466 -227.163 14.3843 73.2742 67.5644 24.0942 PRESSAVG: 1675600 65.3392 12.7838 -2.92315 12.7838 -64.4498 52.7171 -2.92319 52.717 8.71084 GPRESSAVG: 1675600 65.79 12.355 -1.64164 13.5379 -64.5569 54.6223 -1.88238 51.723 8.11347 TIMING: 1675600 CPU: 5297.99, 0.00315872/step Wall: 5297.99, 0.00315872/step, 2.9169 hours remaining, 236.750000 MB of memory in use. ENERGY: 1675600 4061.6773 20565.2372 14524.9050 243.9031 -203068.3229 2621.0827 0.0000 0.0000 51960.5039 -109091.0138 298.6177 -161051.5177 -108736.8836 299.5855 -100.0431 -69.8849 762348.2351 3.2001 3.1155 PRESSURE: 1675800 -288.754 87.5585 -76.0446 87.5585 50.1162 63.288 -76.0452 63.2878 -183.313 GPRESSURE: 1675800 -145.819 28.3818 -6.56213 173.975 -35.7384 36.7844 -57.1738 88.356 -153.404 PRESSAVG: 1675800 -28.4377 1.52636 -2.64582 1.52635 45.326 38.6263 -2.64585 38.6263 4.9174 GPRESSAVG: 1675800 -28.1292 1.45906 -2.48195 -1.55055 46.5792 37.9303 -3.4065 40.0414 3.88894 TIMING: 1675800 CPU: 5298.62, 0.00315554/step Wall: 5298.62, 0.00315554/step, 2.91379 hours remaining, 236.750000 MB of memory in use. ENERGY: 1675800 4021.0893 20615.0136 14624.7614 234.3776 -203375.6933 2660.5451 0.0000 0.0000 52146.1001 -109073.8063 299.6844 -161219.9064 -108711.5837 299.6758 -140.6503 -111.6536 761879.1865 7.2686 7.4463 PRESSURE: 1676000 274.462 -283.584 -24.7767 -283.583 148.155 14.0862 -24.7768 14.0862 101.163 GPRESSURE: 1676000 289.429 -243.453 -19.7394 -265.885 269.411 56.0737 -42.4715 -45.0463 72.5605 PRESSAVG: 1676000 26.1993 -57.7272 -39.494 -57.7272 -42.9239 -9.6884 -39.494 -9.68838 1.82666 GPRESSAVG: 1676000 26.5288 -57.0325 -39.8645 -55.5817 -43.661 -10.7861 -39.2293 -9.60162 2.61889 TIMING: 1676000 CPU: 5299.26, 0.00316261/step Wall: 5299.26, 0.00316261/step, 2.92015 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: 1676000 4026.8909 20445.5525 14657.5404 236.0402 -203384.4636 2809.8761 0.0000 0.0000 52044.8764 -109163.6872 299.1026 -161208.5636 -108802.3196 299.8623 174.5931 210.4670 761228.6888 -4.9660 -4.8377 PRESSURE: 1676200 35.5811 45.9234 -125.418 45.9233 -50.4028 -53.472 -125.418 -53.4717 63.261 GPRESSURE: 1676200 0.00631278 -17.3643 -161.651 23.9719 101.157 -87.2186 -53.6355 -34.1983 59.1668 PRESSAVG: 1676200 -5.42559 -44.8326 41.8529 -44.8326 61.5886 36.5716 41.853 36.5716 29.14 GPRESSAVG: 1676200 -6.49406 -45.5283 42.6394 -45.3699 62.7279 36.1433 41.4015 37.3186 28.9631 TIMING: 1676200 CPU: 5299.89, 0.00316468/step Wall: 5299.89, 0.00316468/step, 2.92188 hours remaining, 236.750000 MB of memory in use. ENERGY: 1676200 4018.5851 20532.9515 14610.7746 272.7082 -203352.4625 2584.0210 0.0000 0.0000 52062.0956 -109271.3265 299.2016 -161333.4222 -108907.0468 299.7085 16.1465 53.4434 761112.0139 28.4343 28.3990 LDB: ============= START OF LOAD BALANCING ============== 5312.42 LDB: ============== END OF LOAD BALANCING =============== 5312.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5312.42 LDB: ============= START OF LOAD BALANCING ============== 5312.74 LDB: Largest compute 7037 load 0.032159 is 16.5% of average load 0.195418 LDB: Average compute 0.004381 is 2.2% of average load 0.195418 LDB: TIME 5312.74 LOAD: AVG 0.195418 MAX 0.217011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.008 MB LDB: TIME 5312.74 LOAD: AVG 0.195418 MAX 0.217011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: TIME 5312.74 LOAD: AVG 0.195418 MAX 0.217011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: ============== END OF LOAD BALANCING =============== 5312.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5312.75 PRESSURE: 1676400 -19.1659 21.1047 -128.578 21.1039 -104.647 -0.527545 -128.579 -0.527646 -272.315 GPRESSURE: 1676400 7.64595 115.497 -48.6545 108.243 -116.18 11.187 -67.7027 -17.8688 -209.451 PRESSAVG: 1676400 25.5614 7.23951 -1.51225 7.23953 2.55262 -2.396 -1.51232 -2.39601 -36.3561 GPRESSAVG: 1676400 26.8696 4.8281 -2.20401 8.03274 0.555315 -1.72705 0.693019 -3.31621 -35.5839 TIMING: 1676400 CPU: 5300.53, 0.00322453/step Wall: 5300.53, 0.00322453/step, 2.97696 hours remaining, 235.710938 MB of memory in use. ENERGY: 1676400 4028.8229 20371.7972 14558.6527 251.2439 -203109.4881 2467.1742 0.0000 0.0000 52024.9859 -109406.8113 298.9883 -161431.7972 -109037.6043 299.2997 -132.0427 -105.9948 762381.5313 -2.7474 -2.7197 PRESSURE: 1676600 -77.7263 -97.1413 -26.5415 -97.1417 -181.053 129.739 -26.5416 129.739 298.216 GPRESSURE: 1676600 -46.4369 -29.2586 -48.6112 -112.35 -102.391 166.592 96.5904 14.7184 253.59 PRESSAVG: 1676600 -44.6503 -18.5849 -18.6967 -18.5848 81.4589 53.0228 -18.6966 53.0228 4.83015 GPRESSAVG: 1676600 -46.1261 -16.6197 -19.4415 -19.2283 83.2461 52.8432 -19.5527 51.6483 4.55788 TIMING: 1676600 CPU: 5301.16, 0.00315485/step Wall: 5301.16, 0.00315485/step, 2.91245 hours remaining, 235.968750 MB of memory in use. ENERGY: 1676600 4031.7256 20507.0325 14606.0524 246.9306 -203364.8105 2613.3863 0.0000 0.0000 51916.0297 -109443.6534 298.3621 -161359.6831 -109085.1935 299.0886 13.1456 34.9206 759560.2962 13.8796 13.8927 PRESSURE: 1676800 -235.67 62.006 100.185 62.0065 11.1594 -173.441 100.185 -173.442 -16.7172 GPRESSURE: 1676800 -180.021 58.7048 75.3474 145.336 -25.6916 -171.553 -0.386602 31.4603 49.4249 PRESSAVG: 1676800 -45.5775 -25.2505 -18.3274 -25.2506 22.4868 20.9132 -18.3275 20.9132 9.60483 GPRESSAVG: 1676800 -44.2442 -25.7156 -18.5944 -24.6355 20.8151 21.0325 -20.6565 20.6966 9.89571 TIMING: 1676800 CPU: 5301.8, 0.00318998/step Wall: 5301.8, 0.00318998/step, 2.94471 hours remaining, 235.968750 MB of memory in use. ENERGY: 1676800 3985.5000 20644.9352 14522.6728 245.3239 -203121.1764 2474.0200 0.0000 0.0000 51839.4060 -109409.3184 297.9218 -161248.7244 -109045.8650 298.9223 -80.4093 -52.0959 759676.4324 -4.4953 -4.5111 PRESSURE: 1677000 -109.955 -178.406 -123.46 -178.406 -180.182 26.6508 -123.461 26.6499 232.702 GPRESSURE: 1677000 -157.924 -117.345 -126.342 -52.5443 -105.958 7.06626 -25.4853 -51.1949 303.44 PRESSAVG: 1677000 -5.69108 14.4057 -38.753 14.4057 19.0376 -18.042 -38.7531 -18.0421 11.146 GPRESSAVG: 1677000 -6.41357 15.3961 -39.3357 13.3886 19.5799 -17.8333 -35.8928 -17.4433 11.2733 TIMING: 1677000 CPU: 5302.44, 0.00319528/step Wall: 5302.44, 0.00319528/step, 2.94942 hours remaining, 235.968750 MB of memory in use. ENERGY: 1677000 3855.9376 20578.1572 14535.5565 229.2151 -203205.6878 2594.3977 0.0000 0.0000 51951.9789 -109460.4448 298.5687 -161412.4237 -109100.7470 299.1487 -19.1451 13.1861 763988.0287 8.1642 8.1465 PRESSURE: 1677200 329.69 96.5269 1.3011 96.5274 -325.33 -91.6239 1.30105 -91.6239 118.521 GPRESSURE: 1677200 294 72.246 54.4795 87.6151 -218.641 -84.7416 33.8461 -41.8603 133.268 PRESSAVG: 1677200 -14.5343 31.9968 -22.2451 31.9968 11.7946 -29.7623 -22.245 -29.7623 20.4919 GPRESSAVG: 1677200 -16.422 31.7169 -21.1734 31.1227 13.0709 -30.8168 -25.2839 -27.8636 20.9191 TIMING: 1677200 CPU: 5303.08, 0.00317277/step Wall: 5303.08, 0.00317277/step, 2.92847 hours remaining, 235.968750 MB of memory in use. ENERGY: 1677200 3866.8040 20549.8518 14595.2228 244.8317 -203720.2902 2898.9003 0.0000 0.0000 52023.6490 -109541.0305 298.9806 -161564.6795 -109168.6755 298.5317 40.9600 69.5420 762086.6866 5.9174 5.8560 PRESSURE: 1677400 -192.527 -229.446 234.981 -229.445 261.826 -206.342 234.982 -206.343 129.667 GPRESSURE: 1677400 -61.1019 -258.489 301.724 -66.0965 144.803 -283.575 284.395 -172.715 192.015 PRESSAVG: 1677400 44.2091 28.9078 46.3207 28.9078 -38.7769 16.4838 46.3207 16.4838 -13.1549 GPRESSAVG: 1677400 46.7128 27.8596 44.5254 30.4214 -40.8356 16.948 48.8121 17.2061 -13.4252 TIMING: 1677400 CPU: 5303.71, 0.00317251/step Wall: 5303.71, 0.00317251/step, 2.92805 hours remaining, 235.968750 MB of memory in use. ENERGY: 1677400 3910.9497 20425.4514 14540.9739 246.5237 -203552.0818 2830.9521 0.0000 0.0000 52182.7695 -109414.4616 299.8951 -161597.2311 -109044.9771 298.9391 66.3220 91.9054 760242.1565 -2.5742 -2.5160 PRESSURE: 1677600 115.848 -186.161 3.15816 -186.161 15.1486 161.08 3.15787 161.081 422.379 GPRESSURE: 1677600 179.054 -123.514 57.6372 -114.606 9.33689 189.497 83.5237 178.755 470.856 PRESSAVG: 1677600 23.3921 12.9177 32.0585 12.9177 -21.2898 19.771 32.0585 19.771 -10.1024 GPRESSAVG: 1677600 22.777 13.6637 34.5978 12.8163 -20.7503 20.7395 30.226 17.5641 -9.87032 TIMING: 1677600 CPU: 5304.35, 0.00317412/step Wall: 5304.35, 0.00317412/step, 2.92936 hours remaining, 235.968750 MB of memory in use. ENERGY: 1677600 3966.3492 20392.2138 14589.2971 243.0651 -203320.3599 2772.7149 0.0000 0.0000 52072.7907 -109283.9291 299.2630 -161356.7198 -108913.0337 299.0918 184.4587 219.7489 761013.4257 -2.6667 -2.6146 PRESSURE: 1677800 124.31 -151.142 -6.36028 -151.142 -337.957 40.5919 -6.35984 40.5925 -31.8647 GPRESSURE: 1677800 76.169 -122.409 6.66514 -104.136 -280.555 -5.97038 111.491 23.2481 26.1265 PRESSAVG: 1677800 79.3542 -53.7082 31.0291 -53.7083 -9.38457 32.1194 31.029 32.1194 6.61649 GPRESSAVG: 1677800 79.2314 -55.7751 29.4658 -53.9314 -9.06638 31.8673 32.0995 32.558 6.4193 TIMING: 1677800 CPU: 5304.98, 0.00315526/step Wall: 5304.98, 0.00315526/step, 2.91178 hours remaining, 236.039062 MB of memory in use. ENERGY: 1677800 3968.2945 20357.0206 14596.0704 258.5467 -203182.4444 2702.1737 0.0000 0.0000 51941.5252 -109358.8134 298.5087 -161300.3386 -108994.1797 299.2629 -81.8372 -59.4200 759432.8436 25.5287 25.5281 PRESSURE: 1678000 -202.37 -123.465 -180.496 -123.465 303.723 -46.8967 -180.497 -46.8967 -56.6164 GPRESSURE: 1678000 -53.1951 -131.757 -111.807 -64.0019 296.733 -56.1521 -213.638 -187.395 -114.328 PRESSAVG: 1678000 66.1844 -29.7924 -22.6331 -29.7924 -20.992 8.95321 -22.6331 8.95323 33.2543 GPRESSAVG: 1678000 66.3368 -27.7048 -21.4037 -27.9856 -20.9624 7.54964 -22.5457 7.7851 33.3349 TIMING: 1678000 CPU: 5305.61, 0.00314992/step Wall: 5305.61, 0.00314992/step, 2.90667 hours remaining, 236.039062 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: 1678000 4038.2693 20308.0262 14615.0297 235.1292 -202903.6322 2361.5074 0.0000 0.0000 52154.3793 -109191.2910 299.7319 -161345.6702 -108835.3480 298.6053 14.9122 43.0698 762438.9615 26.1489 26.2364 PRESSURE: 1678200 7.96372 34.2129 173.356 34.2128 -160.502 -61.7351 173.355 -61.7347 -168.282 GPRESSURE: 1678200 -116.412 -24.512 173.9 -18.1283 -16.7411 -53.4611 221.219 -17.3992 -117.243 PRESSAVG: 1678200 -23.2502 -51.8141 -39.8828 -51.8141 -2.3822 10.1144 -39.8828 10.1144 1.08042 GPRESSAVG: 1678200 -24.2004 -50.2706 -40.7592 -54.1404 -1.74118 10.9796 -40.8559 10.7475 1.60576 TIMING: 1678200 CPU: 5306.23, 0.00313606/step Wall: 5306.23, 0.00313606/step, 2.89371 hours remaining, 236.039062 MB of memory in use. ENERGY: 1678200 3972.8844 20477.3553 14545.9228 240.9994 -202785.4503 2477.4340 0.0000 0.0000 51934.3934 -109136.4610 298.4677 -161070.8544 -108782.9295 299.1676 -106.9401 -83.4655 762252.7680 -8.1840 -8.1120 PRESSURE: 1678400 -283.826 -22.3548 -56.6569 -22.3559 -382.679 118.521 -56.6567 118.521 -48.4891 GPRESSURE: 1678400 -193.508 -33.5904 -76.5578 109.285 -373.168 74.3317 -20.6745 259.131 -42.1093 PRESSAVG: 1678400 11.0807 -40.6145 -26.7205 -40.6145 45.4674 18.7162 -26.7205 18.7162 0.794588 GPRESSAVG: 1678400 10.7664 -42.5705 -26.8417 -39.3016 46.4679 19.0858 -26.7196 19.9875 0.517117 TIMING: 1678400 CPU: 5306.87, 0.00316341/step Wall: 5306.87, 0.00316341/step, 2.91877 hours remaining, 236.039062 MB of memory in use. ENERGY: 1678400 3996.8501 20497.5614 14537.2267 263.0661 -202530.8239 2228.1085 0.0000 0.0000 52222.8501 -108785.1610 300.1254 -161008.0111 -108420.7858 299.7204 -238.3313 -202.9281 764218.7721 19.1142 19.2505 PRESSURE: 1678600 -196.249 170.457 366.978 170.458 65.5205 -15.9972 366.977 -15.9966 -301.659 GPRESSURE: 1678600 -146.474 85.9389 311.242 189.37 60.624 -53.2288 398.625 -45.8089 -239.686 PRESSAVG: 1678600 32.6933 62.3816 -13.1285 62.3816 -4.51806 -0.178119 -13.1285 -0.178102 12.0037 GPRESSAVG: 1678600 33.7003 63.8754 -12.5083 61.9991 -5.44364 -2.37032 -12.3269 0.210174 11.4434 TIMING: 1678600 CPU: 5307.5, 0.00315752/step Wall: 5307.5, 0.00315752/step, 2.91316 hours remaining, 236.039062 MB of memory in use. ENERGY: 1678600 4039.5393 20439.7722 14614.9918 251.8292 -203016.2106 2811.0421 0.0000 0.0000 52052.3115 -108806.7245 299.1453 -160859.0361 -108440.1619 299.8241 -144.1291 -108.5120 764571.9281 13.3930 13.2333 PRESSURE: 1678800 -228.939 -16.279 -80.1522 -16.2779 267.447 96.7884 -80.1519 96.788 -456.786 GPRESSURE: 1678800 -215.246 -44.8784 -184.189 -8.18251 234.125 126.808 -96.996 161.687 -354.288 PRESSAVG: 1678800 -54.909 22.5986 30.4436 22.5986 74.3827 64.23 30.4437 64.2299 21.6647 GPRESSAVG: 1678800 -55.4147 22.5305 31.1247 22.8916 75.0072 65.8016 30.3183 63.2538 21.5341 TIMING: 1678800 CPU: 5308.13, 0.00317473/step Wall: 5308.13, 0.00317472/step, 2.92886 hours remaining, 236.039062 MB of memory in use. ENERGY: 1678800 3992.4094 20381.2881 14650.8998 232.8306 -202732.1727 2555.2868 0.0000 0.0000 52240.3807 -108679.0773 300.2262 -160919.4580 -108313.8765 299.9060 -139.4257 -111.8027 762136.0729 13.7128 13.7089 PRESSURE: 1679000 -153.072 109.253 2.37462 109.252 9.21616 -22.4052 2.37395 -22.4056 170.259 GPRESSURE: 1679000 -73.6971 100.345 -45.574 75.3801 10.653 100.767 73.7693 -94.5893 151.649 PRESSAVG: 1679000 9.9413 -13.2965 -1.69492 -13.2964 9.779 17.5621 -1.6949 17.562 -5.62639 GPRESSAVG: 1679000 11.044 -14.4017 -2.16906 -12.5537 9.21962 17.4256 -2.86895 17.0665 -6.48408 TIMING: 1679000 CPU: 5308.76, 0.00314291/step Wall: 5308.76, 0.00314291/step, 2.89934 hours remaining, 236.039062 MB of memory in use. ENERGY: 1679000 3971.4529 20559.9426 14583.6578 246.7231 -202524.8294 2374.5467 0.0000 0.0000 52024.7682 -108763.7381 298.9871 -160788.5063 -108412.7765 300.1028 8.8012 29.5349 763903.9317 4.6980 4.5932 PRESSURE: 1679200 -109.855 -41.0925 10.1349 -41.0928 31.7771 89.6737 10.1356 89.674 -128.622 GPRESSURE: 1679200 -77.5315 44.0964 30.192 171.369 44.9973 69.0501 92.8641 57.6971 -89.3566 PRESSAVG: 1679200 -8.23771 -47.3553 -8.85608 -47.3552 7.11213 14.1457 -8.856 14.1457 1.3185 GPRESSAVG: 1679200 -8.95308 -45.4746 -8.11342 -46.4389 6.65267 14.6326 -8.28717 15.2712 2.02379 TIMING: 1679200 CPU: 5309.39, 0.00313545/step Wall: 5309.39, 0.00313545/step, 2.89228 hours remaining, 236.039062 MB of memory in use. ENERGY: 1679200 4013.3445 20604.5326 14650.5248 252.9041 -202790.9024 2458.3247 0.0000 0.0000 52293.6976 -108517.5742 300.5326 -160811.2718 -108160.7395 300.1510 -68.9002 -40.6303 762259.7798 0.0643 -0.0922 PRESSURE: 1679400 131.104 57.3463 218.544 57.3458 -69.896 5.85655 218.543 5.85771 281.561 GPRESSURE: 1679400 135.131 83.3002 209.376 -13.4376 16.2289 12.7206 171.002 -36.0157 284.661 PRESSAVG: 1679400 -63.3263 -38.861 -7.568 -38.8609 76.0195 60.9263 -7.56798 60.9263 9.53466 GPRESSAVG: 1679400 -63.2843 -38.8345 -7.4261 -41.668 76.0463 61.6815 -7.06946 60.8262 9.46757 TIMING: 1679400 CPU: 5310.02, 0.00314898/step Wall: 5310.02, 0.00314898/step, 2.90459 hours remaining, 236.039062 MB of memory in use. ENERGY: 1679400 3981.7843 20675.4469 14618.3287 237.5801 -203221.4739 2687.8167 0.0000 0.0000 52123.0024 -108897.5147 299.5516 -161020.5172 -108539.0588 300.5667 114.2561 145.3404 763284.3809 7.4093 7.4098 PRESSURE: 1679600 -1.05947 -64.6934 19.9064 -64.6932 113.935 201.398 19.9065 201.397 -16.5787 GPRESSURE: 1679600 38.4684 -70.6401 47.4986 -95.6689 133.51 77.5898 39.15 190.193 35.3636 PRESSAVG: 1679600 2.91529 -16.2547 -3.6787 -16.2548 -4.46932 84.4986 -3.6787 84.4986 -8.5217 GPRESSAVG: 1679600 2.16558 -18.4973 -3.77346 -16.751 -4.3935 83.129 -1.99416 85.7854 -7.69488 TIMING: 1679600 CPU: 5310.65, 0.00314529/step Wall: 5310.65, 0.00314529/step, 2.90101 hours remaining, 236.039062 MB of memory in use. ENERGY: 1679600 3998.6155 20441.2518 14576.5249 229.1421 -202775.7447 2694.2270 0.0000 0.0000 52153.1444 -108682.8390 299.7248 -160835.9833 -108325.9396 300.0634 32.0988 69.1140 763767.5545 -3.3586 -3.3076 PRESSURE: 1679800 -297.511 -224.766 -31.8546 -224.766 -13.032 207.146 -31.8544 207.147 234.446 GPRESSURE: 1679800 -364.414 -126.245 26.0063 -191.667 65.7122 87.1294 147.483 175.883 279.943 PRESSAVG: 1679800 -65.2392 -23.7812 32.2382 -23.7812 61.2565 54.5068 32.2382 54.5067 24.4322 GPRESSAVG: 1679800 -66.607 -21.2454 34.1028 -23.3082 61.9442 53.8404 32.5201 54.6174 24.8172 TIMING: 1679800 CPU: 5311.27, 0.00313405/step Wall: 5311.27, 0.00313405/step, 2.89047 hours remaining, 236.039062 MB of memory in use. ENERGY: 1679800 3993.5045 20410.4310 14551.9622 250.9024 -203042.7787 2686.3588 0.0000 0.0000 52333.6075 -108816.0123 300.7620 -161149.6198 -108447.2951 300.2607 -25.3658 -6.2529 761772.1524 6.8165 6.7181 PRESSURE: 1680000 7.72475 -46.1078 10.0173 -46.1076 -78.0067 -179.758 10.0169 -179.759 -333.406 GPRESSURE: 1680000 86.5623 -106.568 -68.2051 -109.348 -90.2494 -256.294 115.652 -170.473 -303.887 PRESSAVG: 1680000 -57.821 0.0196088 -25.7857 0.01952 33.7389 10.7933 -25.7857 10.7934 0.317403 GPRESSAVG: 1680000 -56.2086 -2.05098 -27.3235 0.00934761 33.2973 9.54106 -26.7756 10.4123 -0.347464 TIMING: 1680000 CPU: 5311.91, 0.00315643/step Wall: 5311.91, 0.00315643/step, 2.91093 hours remaining, 236.039062 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: 1680000 3975.2260 20402.7879 14565.1724 247.5590 -203092.7772 2386.6303 0.0000 0.0000 52332.0971 -109183.3046 300.7533 -161515.4017 -108825.2498 299.2625 -134.5628 -102.5246 761345.3018 -7.9216 -7.7529 PRESSURE: 1680200 120.336 32.6661 -171.053 32.6652 -463.944 -144.552 -171.052 -144.552 19.8109 GPRESSURE: 1680200 39.4025 90.3716 -174.582 46.6263 -393.645 -183.203 -76.1178 -130.052 119.462 PRESSAVG: 1680200 32.333 10.6419 17.9818 10.6419 -13.8602 34.4279 17.9819 34.4279 -15.1686 GPRESSAVG: 1680200 31.4686 9.73412 18.7514 12.1229 -14.0606 35.6767 18.2787 34.2609 -14.5076 TIMING: 1680200 CPU: 5312.54, 0.00314901/step Wall: 5312.54, 0.00314901/step, 2.90391 hours remaining, 236.039062 MB of memory in use. ENERGY: 1680200 4014.1221 20490.4307 14547.9095 232.1118 -203450.9816 2804.8596 0.0000 0.0000 52065.0504 -109296.4974 299.2186 -161361.5478 -108942.3879 299.2777 -107.9325 -78.2604 761392.0155 1.1014 0.9668 LDB: ============= START OF LOAD BALANCING ============== 5325.07 LDB: ============== END OF LOAD BALANCING =============== 5325.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5325.07 LDB: ============= START OF LOAD BALANCING ============== 5325.38 LDB: Largest compute 7069 load 0.032264 is 16.5% of average load 0.195483 LDB: Average compute 0.004377 is 2.2% of average load 0.195483 LDB: TIME 5325.39 LOAD: AVG 0.195483 MAX 0.215372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 5325.39 LOAD: AVG 0.195483 MAX 0.215372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: TIME 5325.39 LOAD: AVG 0.195483 MAX 0.215372 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: ============== END OF LOAD BALANCING =============== 5325.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5325.39 PRESSURE: 1680400 -30.0893 -220.199 -50.4889 -220.199 189.947 66.0692 -50.4889 66.0707 -333.77 GPRESSURE: 1680400 22.4556 -385.378 42.9763 -184.372 241.627 35.6893 -127.362 -17.1365 -347.033 PRESSAVG: 1680400 17.0392 -59.5483 -5.55888 -59.5483 -38.2724 3.75246 -5.55887 3.75245 12.2669 GPRESSAVG: 1680400 17.7676 -59.5611 -3.51675 -58.8348 -37.0935 5.56992 -6.80524 0.404053 10.5997 TIMING: 1680400 CPU: 5313.18, 0.00320316/step Wall: 5313.18, 0.00320316/step, 2.95367 hours remaining, 234.882812 MB of memory in use. ENERGY: 1680400 4015.4386 20393.4884 14628.5390 249.3510 -203370.0154 2605.6537 0.0000 0.0000 52194.6324 -109282.9124 299.9633 -161477.5447 -108919.8310 299.2153 -57.9708 -27.6501 760551.7629 -2.9888 -2.9087 PRESSURE: 1680600 -131.577 140.405 -166.655 140.405 -154.5 -81.3984 -166.656 -81.3986 33.5208 GPRESSURE: 1680600 -77.0837 136.634 -190.748 212.527 -125.904 -14.8881 -209.737 4.25599 60.8573 PRESSAVG: 1680600 -68.256 -6.72328 27.1789 -6.72329 53.0881 -26.8458 27.1789 -26.8458 0.683483 GPRESSAVG: 1680600 -69.0602 -5.52564 24.4064 -8.76665 51.8843 -29.1533 27.7671 -23.2205 2.6306 TIMING: 1680600 CPU: 5313.81, 0.00315503/step Wall: 5313.81, 0.00315503/step, 2.90911 hours remaining, 235.085938 MB of memory in use. ENERGY: 1680600 4037.7929 20333.0959 14534.8162 256.1178 -203153.9102 2612.5729 0.0000 0.0000 52000.7316 -109378.7828 298.8489 -161379.5145 -109015.4384 299.2700 -84.1853 -47.3769 760134.9938 -4.8281 -4.8484 PRESSURE: 1680800 -156.086 -159.318 109.286 -159.319 -85.1368 193.215 109.286 193.215 -8.44126 GPRESSURE: 1680800 -179.58 -95.7881 68.1367 24.8979 -32.9954 219.894 56.4494 111.613 21.4679 PRESSAVG: 1680800 -27.2359 19.9094 18.9889 19.9095 21.8866 -37.2717 18.989 -37.2717 16.3453 GPRESSAVG: 1680800 -27.2339 20.28 20.262 19.6103 22.0601 -35.3992 19.1625 -38.6319 15.6726 TIMING: 1680800 CPU: 5314.44, 0.00314575/step Wall: 5314.44, 0.00314575/step, 2.90039 hours remaining, 235.085938 MB of memory in use. ENERGY: 1680800 3987.1422 20529.2203 14486.8229 237.1078 -203273.0610 2407.2095 0.0000 0.0000 52397.0389 -109228.5194 301.1265 -161625.5583 -108875.5523 299.3205 -83.2215 -63.7027 759421.5812 3.6653 3.4996 PRESSURE: 1681000 200.757 89.8354 -36.2356 89.835 -107.775 25.3013 -36.2356 25.3002 129.79 GPRESSURE: 1681000 222.886 13.2035 -241.707 33.692 -5.71286 28.2778 -10.6097 15.0232 95.2932 PRESSAVG: 1681000 -36.0782 -35.3776 20.8138 -35.3776 29.4302 -70.0291 20.8139 -70.0291 1.80149 GPRESSAVG: 1681000 -36.4602 -35.1735 18.6142 -34.329 30.0463 -70.2826 20.296 -69.2404 2.26032 TIMING: 1681000 CPU: 5315.06, 0.00313527/step Wall: 5315.06, 0.00313527/step, 2.89055 hours remaining, 235.085938 MB of memory in use. ENERGY: 1681000 4009.5482 20458.6065 14562.5541 245.0650 -203354.4058 2891.5989 0.0000 0.0000 51927.1691 -109259.8641 298.4262 -161187.0331 -108895.2236 299.4216 74.2575 104.1553 760181.0059 -1.6155 -1.3845 PRESSURE: 1681200 105.35 -256.611 241.187 -256.611 91.4879 4.23884 241.188 4.23887 395.349 GPRESSURE: 1681200 193.969 -241.387 314.915 -235.185 83.7106 -29.2692 157.463 -92.7139 402.628 PRESSAVG: 1681200 10.4787 -18.4747 2.98001 -18.4746 33.4609 -17.937 2.97997 -17.937 18.9585 GPRESSAVG: 1681200 11.0339 -19.2545 4.39292 -19.335 33.9471 -17.8748 0.457357 -19.2559 18.4081 TIMING: 1681200 CPU: 5315.69, 0.00312625/step Wall: 5315.69, 0.00312625/step, 2.88205 hours remaining, 235.085938 MB of memory in use. ENERGY: 1681200 4006.2619 20533.3436 14494.5537 234.4221 -203595.1538 2858.2301 0.0000 0.0000 52056.5977 -109411.7447 299.1700 -161468.3423 -109060.5394 299.4426 197.3956 226.7689 760854.1418 20.9660 21.1297 PRESSURE: 1681400 32.6521 -39.7382 -57.8634 -39.7377 -278.099 115.778 -57.8631 115.778 -77.789 GPRESSURE: 1681400 78.398 -44.8506 72.9937 -71.0407 -255.489 147.849 -110.739 -11.8795 -68.4228 PRESSAVG: 1681400 -12.8449 -21.2295 43.5382 -21.2295 5.09534 -11.3767 43.5382 -11.3767 -11.3343 GPRESSAVG: 1681400 -12.1325 -20.3968 44.3371 -21.6704 4.23045 -10.829 44.9705 -12.2655 -11.4306 TIMING: 1681400 CPU: 5316.32, 0.003139/step Wall: 5316.32, 0.003139/step, 2.89363 hours remaining, 235.085938 MB of memory in use. ENERGY: 1681400 3947.7281 20548.6522 14575.1375 252.6014 -203126.5829 2468.8395 0.0000 0.0000 51813.5918 -109520.0324 297.7734 -161333.6242 -109160.0261 299.0791 -107.7454 -81.8380 761857.8053 -6.3613 -6.4442 PRESSURE: 1681600 -1.51434 81.8425 26.408 81.8433 -151.278 101.432 26.4084 101.431 144.327 GPRESSURE: 1681600 -28.0978 66.2703 -0.372302 68.192 -88.0317 70.0878 114.113 86.2235 180.421 PRESSAVG: 1681600 -1.82393 -13.2388 85.764 -13.2388 19.0773 -27.414 85.764 -27.4142 -22.203 GPRESSAVG: 1681600 -3.13099 -13.9562 85.4467 -13.0914 19.109 -27.4669 86.9354 -24.8047 -21.4213 TIMING: 1681600 CPU: 5316.94, 0.00314345/step Wall: 5316.94, 0.00314345/step, 2.89756 hours remaining, 235.085938 MB of memory in use. ENERGY: 1681600 3983.5243 20353.0504 14597.9497 250.7669 -203013.9357 2533.5855 0.0000 0.0000 51868.8043 -109426.2547 298.0907 -161295.0590 -109063.6595 298.9942 -2.8215 21.4303 761725.0971 -1.6499 -1.8144 PRESSURE: 1681800 -147.144 -32.4587 22.8836 -32.4595 153.71 -53.8369 22.8831 -53.8374 -226.258 GPRESSURE: 1681800 -108.24 -46.7166 29.7944 -89.8326 223.806 -54.287 138.114 -32.6175 -244.075 PRESSAVG: 1681800 -21.4256 12.9138 49.7248 12.9138 7.508 -8.26677 49.7248 -8.26677 -7.88523 GPRESSAVG: 1681800 -22.2555 13.6354 48.2967 13.0318 8.88018 -10.3215 50.7614 -8.05391 -8.79912 TIMING: 1681800 CPU: 5317.57, 0.00314477/step Wall: 5317.57, 0.00314477/step, 2.89861 hours remaining, 235.085938 MB of memory in use. ENERGY: 1681800 4070.9250 20499.5151 14647.3358 260.8563 -203400.1990 2707.9444 0.0000 0.0000 51921.8433 -109291.7790 298.3955 -161213.6223 -108931.8467 299.0978 -73.2305 -42.8364 761922.1824 -7.2676 -7.3915 PRESSURE: 1682000 107.799 -15.439 -38.6981 -15.4393 -57.8817 11.1342 -38.6976 11.1334 -148.306 GPRESSURE: 1682000 129.747 -32.5047 -112.918 19.1849 -75.1851 41.125 29.4589 -28.9328 -76.34 PRESSAVG: 1682000 -30.0402 5.02163 41.6911 5.02167 31.9251 29.6023 41.691 29.6024 8.63553 GPRESSAVG: 1682000 -29.9751 5.07707 41.4698 4.03374 31.0621 30.125 41.5704 28.491 9.23493 TIMING: 1682000 CPU: 5318.2, 0.00313585/step Wall: 5318.2, 0.00313585/step, 2.89021 hours remaining, 235.085938 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: 1682000 4052.7603 20528.1146 14585.4444 260.9180 -203224.9285 2425.8464 0.0000 0.0000 52081.6762 -109290.1686 299.3141 -161371.8449 -108942.2248 299.3087 -32.7961 -7.2593 762559.7616 3.5068 3.4407 PRESSURE: 1682200 -56.9121 -56.1416 103.372 -56.1419 19.5533 -380.426 103.372 -380.426 -53.1419 GPRESSURE: 1682200 -137.134 0.364443 118.443 7.78139 79.2435 -298.941 27.6249 -209.312 37.4145 PRESSAVG: 1682200 37.2338 1.24225 38.1751 1.24226 -23.662 -33.3142 38.1751 -33.3142 -4.06451 GPRESSAVG: 1682200 37.5596 0.700217 38.8897 2.73235 -24.1039 -32.6822 37.6656 -31.7214 -3.83973 TIMING: 1682200 CPU: 5318.83, 0.00313784/step Wall: 5318.83, 0.00313784/step, 2.89187 hours remaining, 235.085938 MB of memory in use. ENERGY: 1682200 3981.2827 20570.4857 14548.9914 239.8122 -203176.2822 2598.8126 0.0000 0.0000 51750.9474 -109485.9502 297.4134 -161236.8976 -109129.5300 299.3266 -30.1669 -6.8254 763007.5340 3.1691 3.2053 PRESSURE: 1682400 85.5217 47.08 27.6032 47.0789 -134.37 -115.736 27.6037 -115.737 -83.3079 GPRESSURE: 1682400 174.081 2.15284 36.9551 20.7975 -126.648 -172.338 -112.548 -120.35 -75.4146 PRESSAVG: 1682400 3.47675 -24.5496 58.4691 -24.5496 -4.85155 -25.6078 58.4692 -25.6078 5.09202 GPRESSAVG: 1682400 3.88945 -25.6706 61.2701 -23.51 -3.84344 -28.3261 54.7365 -25.8812 4.06485 TIMING: 1682400 CPU: 5319.46, 0.00315145/step Wall: 5319.46, 0.00315145/step, 2.90424 hours remaining, 235.085938 MB of memory in use. ENERGY: 1682400 4070.0476 20445.1595 14502.5488 251.9849 -203302.3294 2813.9114 0.0000 0.0000 51904.0874 -109314.5899 298.2935 -161218.6773 -108951.6787 298.9473 -44.0520 -9.3272 763847.6161 1.2391 1.3703 PRESSURE: 1682600 -244.923 212.7 -40.9233 212.702 -533.755 36.8575 -40.9237 36.8579 183.266 GPRESSURE: 1682600 -171.549 141.867 -10.0925 20.2368 -447.81 39.6233 28.6427 29.9206 105.633 PRESSAVG: 1682600 17.2682 -22.5848 16.6147 -22.5848 24.0157 10.5296 16.6147 10.5297 11.5765 GPRESSAVG: 1682600 16.4774 -22.0544 14.4361 -22.9454 24.4253 11.0075 17.4575 9.47471 11.4347 TIMING: 1682600 CPU: 5320.09, 0.00313443/step Wall: 5320.09, 0.00313443/step, 2.88838 hours remaining, 235.085938 MB of memory in use. ENERGY: 1682600 3928.3939 20536.3872 14591.6824 245.3488 -203508.7513 2640.0848 0.0000 0.0000 52090.5724 -109476.2817 299.3652 -161566.8541 -109110.8070 299.1074 -198.4707 -171.2421 764155.4950 17.6201 17.4458 PRESSURE: 1682800 334.236 143.867 -123.258 143.868 -25.4355 304.602 -123.258 304.602 -119.507 GPRESSURE: 1682800 356.202 114.824 -66.4559 128.302 -20.4593 302.357 -119.088 258.869 -62.4544 PRESSAVG: 1682800 17.6946 59.667 2.21236 59.667 -25.1458 72.7246 2.21244 72.7246 16.8277 GPRESSAVG: 1682800 17.5111 58.9532 2.99167 59.0093 -25.9327 73.2155 2.97584 71.0944 17.6124 TIMING: 1682800 CPU: 5320.71, 0.0031371/step Wall: 5320.71, 0.0031371/step, 2.89067 hours remaining, 235.074219 MB of memory in use. ENERGY: 1682800 3955.8930 20370.2845 14520.2856 233.8956 -203889.5159 2911.6184 0.0000 0.0000 52071.5060 -109826.0327 299.2557 -161897.5387 -109461.6007 298.5211 63.0977 91.0961 762963.3088 3.1255 3.0636 PRESSURE: 1683000 114.079 -227.655 -27.5733 -227.653 -257.464 144.769 -27.5735 144.769 283.841 GPRESSURE: 1683000 38.5495 -85.6263 -58.6406 -209.327 -140.477 152.234 -70.0759 82.0856 353.172 PRESSAVG: 1683000 9.49131 15.5109 8.99562 15.5109 31.8953 75.4929 8.99557 75.4928 -12.4956 GPRESSAVG: 1683000 9.03089 16.8232 8.27422 16.7954 31.0597 76.4901 10.4043 77.0286 -11.5696 TIMING: 1683000 CPU: 5321.34, 0.00314192/step Wall: 5321.34, 0.00314192/step, 2.89493 hours remaining, 235.074219 MB of memory in use. ENERGY: 1683000 3948.2539 20598.2084 14507.7166 242.8375 -203650.0346 2858.4899 0.0000 0.0000 51773.6528 -109720.8755 297.5439 -161494.5283 -109363.8030 298.6880 46.8184 83.7480 760624.7571 9.6303 9.5070 PRESSURE: 1683200 -407.46 92.0977 207.685 92.0979 -184.586 94.8037 207.685 94.8032 -320.785 GPRESSURE: 1683200 -430.05 -17.295 107.033 85.0693 -131.166 199.278 230.708 -52.6379 -265.976 PRESSAVG: 1683200 65.0649 8.13059 36.3404 8.13062 -38.3272 61.5686 36.3403 61.5685 11.7883 GPRESSAVG: 1683200 65.6365 7.1852 36.5711 8.82801 -36.9072 62.1577 33.5954 61.2953 10.316 TIMING: 1683200 CPU: 5321.97, 0.00316328/step Wall: 5321.97, 0.00316328/step, 2.91444 hours remaining, 235.074219 MB of memory in use. ENERGY: 1683200 3999.2317 20510.6281 14624.5570 253.6846 -203176.8524 2379.7667 0.0000 0.0000 51777.6668 -109631.3175 297.5670 -161408.9843 -109273.8680 298.2842 -304.2770 -275.7306 761632.1882 12.8420 13.0151 PRESSURE: 1683400 152.361 278.052 54.758 278.053 175.272 -481.072 54.7576 -481.07 -126.098 GPRESSURE: 1683400 145.264 159.81 -39.4977 191.729 174.446 -526.324 162.581 -448.25 -60.3004 PRESSAVG: 1683400 -48.9253 -5.47894 43.2709 -5.47889 11.4994 -22.1107 43.2709 -22.1107 2.48373 GPRESSAVG: 1683400 -49.1476 -6.3585 42.8899 -5.00961 10.9822 -23.9009 47.3974 -22.9766 3.93809 TIMING: 1683400 CPU: 5322.61, 0.00315937/step Wall: 5322.61, 0.00315937/step, 2.91066 hours remaining, 235.085938 MB of memory in use. ENERGY: 1683400 3951.4654 20555.6382 14590.2574 247.8332 -203288.9138 2534.8031 0.0000 0.0000 51752.1515 -109656.7651 297.4203 -161408.9166 -109297.2196 297.9376 67.1785 86.4698 762009.7449 -11.6474 -11.4091 PRESSURE: 1683600 109.768 51.1548 -100.081 51.1544 -156.484 140.533 -100.081 140.533 2.98826 GPRESSURE: 1683600 123.036 40.0404 -32.1436 12.1562 -161.058 255.662 -40.7935 18.3145 82.2931 PRESSAVG: 1683600 -48.9924 25.9579 -31.4742 25.9579 50.9215 -27.039 -31.4741 -27.039 9.11814 GPRESSAVG: 1683600 -49.0775 26.1654 -29.5821 23.7479 51.2539 -27.5829 -34.1659 -27.4574 9.01383 TIMING: 1683600 CPU: 5323.24, 0.00314654/step Wall: 5323.24, 0.00314654/step, 2.89866 hours remaining, 235.085938 MB of memory in use. ENERGY: 1683600 3979.0384 20357.4653 14605.1000 234.1807 -203877.0726 2959.6736 0.0000 0.0000 51758.4128 -109983.2017 297.4563 -161741.6145 -109622.2573 298.1638 -14.5759 14.7572 761245.3671 3.6824 3.7301 PRESSURE: 1683800 38.3839 -26.9421 50.6084 -26.9434 29.8512 390.69 50.6082 390.69 -396.134 GPRESSURE: 1683800 32.1858 -61.6725 54.556 -95.1583 59.3234 438.222 -161.513 417.536 -343.149 PRESSAVG: 1683800 27.4288 38.7711 45.2359 38.7711 -31.5521 41.3058 45.2359 41.3059 2.40081 GPRESSAVG: 1683800 28.043 40.899 44.6775 37.6988 -32.3393 42.3791 45.535 41.5127 2.69803 TIMING: 1683800 CPU: 5323.87, 0.00315638/step Wall: 5323.87, 0.00315638/step, 2.90755 hours remaining, 235.085938 MB of memory in use. ENERGY: 1683800 4021.3111 20563.6595 14563.2182 247.4384 -203634.9336 2627.2968 0.0000 0.0000 51900.9480 -109711.0617 298.2755 -161612.0096 -109351.5435 298.3305 -109.2997 -83.8800 762090.6115 -0.5741 -0.5328 PRESSURE: 1684000 -222.923 -333.918 94.2399 -333.919 -349.76 218.13 94.2396 218.13 -96.702 GPRESSURE: 1684000 -242.762 -397.055 92.2459 -270.791 -286.646 172.707 139.671 275.513 -38.5658 PRESSAVG: 1684000 6.6393 -33.8279 43.5299 -33.8279 -2.29374 39.2461 43.5299 39.2461 28.5137 GPRESSAVG: 1684000 6.52686 -33.3548 43.0839 -34.1133 -1.17128 39.749 42.6071 41.1497 27.3355 TIMING: 1684000 CPU: 5324.5, 0.00315737/step Wall: 5324.5, 0.00315737/step, 2.90828 hours remaining, 235.085938 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: 1684000 4020.7552 20435.9544 14489.7933 250.0984 -203401.7449 2469.6438 0.0000 0.0000 51829.4124 -109906.0874 297.8643 -161735.4998 -109543.7134 298.3791 -223.1283 -189.3248 762508.1877 10.9531 10.8970 PRESSURE: 1684200 -157.109 -17.2688 -5.00812 -17.2679 -3.59155 -155.263 -5.00816 -155.262 -367.706 GPRESSURE: 1684200 -165.409 16.4152 44.6413 33.1631 53.7145 -247.197 -84.9423 -182.616 -327.054 PRESSAVG: 1684200 0.454108 -7.86887 32.4233 -7.86886 -25.8866 12.9561 32.4232 12.9561 -0.00800426 GPRESSAVG: 1684200 0.981665 -8.87489 34.6682 -7.74669 -26.8738 11.5511 33.705 12.8655 0.542687 TIMING: 1684200 CPU: 5325.13, 0.00317113/step Wall: 5325.13, 0.00317113/step, 2.92078 hours remaining, 235.085938 MB of memory in use. ENERGY: 1684200 3943.0067 20378.4374 14462.5611 251.0132 -203358.2560 2575.9488 0.0000 0.0000 51882.2397 -109865.0491 298.1679 -161747.2888 -109505.6983 298.7001 -176.1357 -146.2495 760525.3654 -8.4802 -8.4498 LDB: ============= START OF LOAD BALANCING ============== 5337.67 LDB: ============== END OF LOAD BALANCING =============== 5337.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5337.67 LDB: ============= START OF LOAD BALANCING ============== 5337.98 LDB: Largest compute 7069 load 0.031588 is 16.2% of average load 0.195442 LDB: Average compute 0.004381 is 2.2% of average load 0.195442 LDB: TIME 5337.99 LOAD: AVG 0.195442 MAX 0.219281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 5337.99 LOAD: AVG 0.195442 MAX 0.219281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 5337.99 LOAD: AVG 0.195442 MAX 0.216658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 5337.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5338 PRESSURE: 1684400 54.4485 91.1245 129.419 91.1248 208.641 -186.208 129.419 -186.208 16.3164 GPRESSURE: 1684400 95.0414 7.17947 155.175 82.0567 198.996 -198.999 -6.52464 -91.3171 59.9157 PRESSAVG: 1684400 61.0634 25.111 -34.9992 25.111 -26.9092 -32.7125 -34.9991 -32.7126 -2.58795 GPRESSAVG: 1684400 59.8978 24.3965 -38.5 26.3049 -26.3263 -32.2551 -33.8163 -32.2918 -2.1415 TIMING: 1684400 CPU: 5325.78, 0.00323076/step Wall: 5325.78, 0.00323076/step, 2.97553 hours remaining, 234.882812 MB of memory in use. ENERGY: 1684400 4022.9795 20461.2654 14528.2756 243.7400 -203380.2044 2431.9024 0.0000 0.0000 51927.9555 -109764.0859 298.4307 -161692.0414 -109395.0901 298.0156 93.1354 117.9844 760910.2453 10.5221 10.4766 PRESSURE: 1684600 -249.058 -7.82428 -105.415 -7.82396 -17.4914 220.752 -105.415 220.752 -204.272 GPRESSURE: 1684600 -223.698 -17.0823 -140.781 -61.333 33.0969 237.771 0.63846 60.4095 -175.623 PRESSAVG: 1684600 47.9964 -43.2989 -7.07595 -43.2989 -6.54481 0.57774 -7.0759 0.577667 10.2693 GPRESSAVG: 1684600 48.5154 -42.8027 -6.23064 -43.7674 -6.14476 2.02226 -7.81972 -2.58232 9.912 TIMING: 1684600 CPU: 5326.41, 0.00315739/step Wall: 5326.41, 0.00315739/step, 2.90778 hours remaining, 234.882812 MB of memory in use. ENERGY: 1684600 3955.1678 20420.6836 14553.8360 248.4644 -203314.1070 2359.5807 0.0000 0.0000 51969.9322 -109806.4423 298.6719 -161776.3745 -109444.6500 298.1363 -156.9404 -122.0747 761006.9641 17.2403 17.4276 PRESSURE: 1684800 -332.963 -3.77861 38.2678 -3.77819 -69.3525 151.873 38.2677 151.874 -263.217 GPRESSURE: 1684800 -302.785 7.67857 72.5609 58.5647 -33.2506 119.198 -42.3645 160.78 -217.662 PRESSAVG: 1684800 34.9481 -12.393 -51.1057 -12.393 -40.1503 38.4904 -51.1058 38.4903 6.50795 GPRESSAVG: 1684800 34.2881 -12.4482 -50.0695 -11.3795 -39.8718 36.6562 -49.8939 40.5536 7.38262 TIMING: 1684800 CPU: 5327.04, 0.00316779/step Wall: 5327.04, 0.00316779/step, 2.91718 hours remaining, 235.085938 MB of memory in use. ENERGY: 1684800 3962.5574 20351.1869 14519.5025 261.2751 -203203.9601 2507.8654 0.0000 0.0000 51982.6190 -109618.9537 298.7448 -161601.5728 -109251.0995 298.2943 -221.8439 -184.5657 761676.5431 0.4353 0.5997 PRESSURE: 1685000 -155.634 142.577 -132.988 142.577 476.622 249.003 -132.988 249.003 317.198 GPRESSURE: 1685000 -101.592 162.368 -42.1213 -2.12402 426.506 226.657 -169.542 207.879 376.339 PRESSAVG: 1685000 -54.466 11.6056 21.1747 11.6055 11.0323 26.9818 21.1747 26.9818 11.0087 GPRESSAVG: 1685000 -53.6523 13.9582 22.1988 9.25484 9.54471 26.8338 18.5848 26.1873 11.646 TIMING: 1685000 CPU: 5327.67, 0.00314829/step Wall: 5327.67, 0.00314829/step, 2.89905 hours remaining, 235.085938 MB of memory in use. ENERGY: 1685000 3897.9144 20593.0120 14562.2049 227.1939 -203478.3610 2598.7215 0.0000 0.0000 52175.4803 -109423.8340 299.8532 -161599.3143 -109060.4348 298.7017 212.7284 233.7510 761963.7157 -10.8083 -10.8205 PRESSURE: 1685200 82.7445 77.2263 106.404 77.2256 -74.2664 -37.6893 106.404 -37.6889 -362.096 GPRESSURE: 1685200 79.2148 145.113 108.869 95.6064 4.85401 -65.0222 77.8133 -95.1211 -385.614 PRESSAVG: 1685200 -22.2659 -46.399 58.9324 -46.399 -11.9098 -16.5885 58.9324 -16.5884 -1.10074 GPRESSAVG: 1685200 -21.9739 -48.8752 57.2621 -45.359 -10.7403 -15.6157 61.4581 -18.7788 -2.51316 TIMING: 1685200 CPU: 5328.3, 0.00314821/step Wall: 5328.3, 0.00314821/step, 2.8988 hours remaining, 235.085938 MB of memory in use. ENERGY: 1685200 3995.7825 20455.9668 14583.6961 251.6861 -203021.2369 2383.8525 0.0000 0.0000 52000.6819 -109349.5710 298.8486 -161350.2530 -108979.3217 298.9957 -117.8727 -100.5151 763203.4447 -11.7588 -11.7424 PRESSURE: 1685400 33.1034 -154.791 -48.5978 -154.792 98.3766 -42.8855 -48.5988 -42.8846 -454.281 GPRESSURE: 1685400 3.60669 -188.385 25.1866 -126.735 124.275 51.0297 -23.8288 54.4462 -375.301 PRESSAVG: 1685400 -10.7197 -38.3233 36.3729 -38.3234 -37.9825 -51.1952 36.3729 -51.1953 -8.97891 GPRESSAVG: 1685400 -12.0147 -39.8213 35.5873 -37.8408 -38.306 -51.7172 36.0063 -48.911 -7.67362 TIMING: 1685400 CPU: 5328.93, 0.00314584/step Wall: 5328.93, 0.00314584/step, 2.89645 hours remaining, 235.085938 MB of memory in use. ENERGY: 1685400 3947.9210 20377.4714 14536.2464 244.5510 -202899.0833 2370.3282 0.0000 0.0000 52128.4453 -109294.1200 299.5829 -161422.5654 -108924.2213 298.8024 -107.6003 -82.4731 763226.0437 -19.2271 -19.3314 PRESSURE: 1685600 -95.0075 -178.871 -278.993 -178.871 -343.498 -51.936 -278.993 -51.9352 210.983 GPRESSURE: 1685600 -68.427 -80.3409 -233.485 -160.92 -247.879 -17.5433 -170.865 20.4254 182.713 PRESSAVG: 1685600 6.17453 -69.3333 74.214 -69.3332 -60.5048 -23.6013 74.214 -23.6012 12.8492 GPRESSAVG: 1685600 8.13551 -67.9285 75.677 -71.4636 -60.2581 -23.2598 75.2325 -23.2672 10.6374 TIMING: 1685600 CPU: 5329.57, 0.00317175/step Wall: 5329.57, 0.00317175/step, 2.92013 hours remaining, 235.085938 MB of memory in use. ENERGY: 1685600 3982.2115 20392.7760 14546.1090 238.6724 -203091.5704 2762.8010 0.0000 0.0000 51887.5154 -109281.4850 298.1983 -161169.0004 -108925.9506 298.5590 -75.8407 -44.5311 763866.9577 -13.8270 -13.8284 PRESSURE: 1685800 103.701 -55.3322 -57.0345 -55.3317 -35.3202 12.7967 -57.0348 12.798 -134.115 GPRESSURE: 1685800 40.1633 -142.73 30.6824 -66.4602 9.59839 92.6316 -137.183 71.5754 -30.6348 PRESSAVG: 1685800 18.6639 -4.93206 2.57344 -4.93209 26.2808 -29.5063 2.57346 -29.5064 0.217111 GPRESSAVG: 1685800 17.1436 -6.18875 1.57947 -1.05007 26.1524 -28.8978 0.449393 -30.5864 1.54927 TIMING: 1685800 CPU: 5330.2, 0.00318065/step Wall: 5330.2, 0.00318065/step, 2.92815 hours remaining, 235.085938 MB of memory in use. ENERGY: 1685800 4010.8888 20451.3730 14605.4642 242.0677 -202912.2542 2339.0985 0.0000 0.0000 51914.6368 -109348.7253 298.3541 -161263.3621 -108989.1685 298.8595 -21.9112 6.3756 761010.3432 15.0539 14.9484 PRESSURE: 1686000 44.1528 26.6153 -205.257 26.615 107.157 -153.571 -205.257 -153.571 14.8266 GPRESSURE: 1686000 41.4872 60.2581 -105.919 -66.0788 166.978 -229.007 -222.512 -19.8312 49.9241 PRESSAVG: 1686000 -38.8228 -35.8295 -22.0701 -35.8295 42.7124 1.66474 -22.07 1.66476 4.81538 GPRESSAVG: 1686000 -38.747 -35.5658 -19.8943 -36.5918 43.0347 -0.057506 -22.6589 3.33617 4.90304 TIMING: 1686000 CPU: 5330.84, 0.0031901/step Wall: 5330.84, 0.0031901/step, 2.93667 hours remaining, 235.085938 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: 1686000 3982.8802 20395.2640 14566.8502 246.6399 -203483.2945 2989.7764 0.0000 0.0000 51850.8926 -109450.9911 297.9878 -161301.8838 -109101.7174 298.3429 55.3789 86.1298 762411.2982 2.9017 3.0636 PRESSURE: 1686200 82.866 93.2149 -131.876 93.2156 -12.8428 148.645 -131.876 148.645 -196.982 GPRESSURE: 1686200 63.8327 52.6117 -112.115 229.614 78.5171 109.887 -159.132 -87.8662 -195.55 PRESSAVG: 1686200 34.4497 30.0711 -35.723 30.071 -16.2967 -25.4305 -35.7231 -25.4306 -12.3921 GPRESSAVG: 1686200 35.6778 32.6562 -37.6547 27.6833 -15.6481 -24.7244 -33.5668 -27.7989 -14.3281 TIMING: 1686200 CPU: 5331.48, 0.00317277/step Wall: 5331.48, 0.00317277/step, 2.92053 hours remaining, 235.085938 MB of memory in use. ENERGY: 1686200 3865.2094 20481.2547 14530.1668 251.0922 -203071.7754 2445.9142 0.0000 0.0000 52056.9307 -109441.2074 299.1719 -161498.1381 -109078.2073 298.5681 -42.3196 -17.7334 762463.4576 1.9203 1.9005 PRESSURE: 1686400 -99.4406 -239.964 132.759 -239.964 -60.5531 -71.9785 132.759 -71.9791 20.6585 GPRESSURE: 1686400 -27.3925 -371.416 -2.19442 -295.636 -2.98438 -66.0181 153.568 1.60455 -10.6036 PRESSAVG: 1686400 25.8563 -14.7648 30.3217 -14.7648 -27.3168 21.3333 30.3217 21.3333 -18.2938 GPRESSAVG: 1686400 26.1315 -17.876 27.5582 -13.5824 -28.1524 20.6182 31.325 23.0721 -18.5229 TIMING: 1686400 CPU: 5332.11, 0.00315545/step Wall: 5332.11, 0.00315545/step, 2.90441 hours remaining, 235.085938 MB of memory in use. ENERGY: 1686400 3922.1270 20371.9035 14545.2517 259.8156 -203269.4133 2597.8466 0.0000 0.0000 52033.9968 -109538.4722 299.0401 -161572.4690 -109170.6489 298.4908 -46.4450 -13.6601 762284.8228 -6.5848 -6.8479 PRESSURE: 1686600 -107.646 94.9914 189.347 94.9913 20.0782 -239.61 189.348 -239.609 1.14134 GPRESSURE: 1686600 -157.296 101.08 166.645 30.4821 62.0477 -193.642 51.1521 -179.04 84.7607 PRESSAVG: 1686600 -42.2059 -9.16 37.1152 -9.15999 38.4757 42.3088 37.1153 42.3087 -10.5187 GPRESSAVG: 1686600 -42.9642 -8.02123 40.1828 -10.0863 38.5947 43.2177 35.6788 42.8016 -10.2922 TIMING: 1686600 CPU: 5332.74, 0.00317715/step Wall: 5332.74, 0.00317715/step, 2.92421 hours remaining, 235.085938 MB of memory in use. ENERGY: 1686600 3891.3068 20440.2266 14579.4500 241.3497 -203003.7989 2545.4668 0.0000 0.0000 51861.8897 -109444.1093 298.0510 -161305.9990 -109088.4847 298.4791 -28.8087 -3.4958 763527.8316 -4.7496 -4.8872 PRESSURE: 1686800 71.3308 61.927 -82.9254 61.9278 174.059 219.934 -82.9255 219.935 240.858 GPRESSURE: 1686800 143.954 -41.3099 1.34052 -136.405 209.003 267.239 -61.4259 173.99 220.265 PRESSAVG: 1686800 -4.52889 -11.8773 17.6298 -11.8774 17.71 34.3092 17.6298 34.3092 -19.1422 GPRESSAVG: 1686800 -5.17965 -11.7825 17.439 -13.2957 18.0434 34.0075 19.3456 33.5775 -18.414 TIMING: 1686800 CPU: 5333.38, 0.00316919/step Wall: 5333.38, 0.00316919/step, 2.91671 hours remaining, 235.085938 MB of memory in use. ENERGY: 1686800 3952.4714 20254.4395 14573.9343 242.2609 -203100.1003 2463.0408 0.0000 0.0000 52135.7788 -109478.1745 299.6250 -161613.9533 -109113.1480 298.5478 162.0825 191.0740 762125.9257 -1.9870 -1.8501 PRESSURE: 1687000 101.566 -186.285 -173.758 -186.285 139.349 -94.9044 -173.759 -94.9041 233.096 GPRESSURE: 1687000 212.488 -148.399 -173.661 -112.471 147.915 -149.999 -112.644 -26.623 200.085 PRESSAVG: 1687000 -29.2461 -28.0808 -11.4137 -28.0808 3.45353 -31.5721 -11.4138 -31.572 8.9171 GPRESSAVG: 1687000 -28.7451 -29.147 -11.6624 -25.5807 3.41979 -31.5119 -14.0777 -31.0132 8.4501 TIMING: 1687000 CPU: 5334.01, 0.00318892/step Wall: 5334.01, 0.00318892/step, 2.93469 hours remaining, 235.085938 MB of memory in use. ENERGY: 1687000 3899.6025 20392.5195 14557.8898 244.7154 -203189.6481 2886.5518 0.0000 0.0000 51830.1983 -109378.1709 297.8689 -161208.3692 -109025.9768 298.7024 158.0038 186.8297 763123.9992 -5.6252 -5.6251 PRESSURE: 1687200 -156.823 103.321 92.1603 103.32 -252.367 -96.9164 92.1609 -96.916 -448.784 GPRESSURE: 1687200 -158.032 42.4762 94.8399 65.0678 -188.052 -54.6083 -34.684 -247.335 -417.791 PRESSAVG: 1687200 -51.0704 -20.8204 36.1837 -20.8205 69.3984 14.4875 36.1836 14.4874 -12.709 GPRESSAVG: 1687200 -50.1274 -19.7291 35.3178 -22.0664 68.1739 15.3456 38.4588 15.3613 -12.6907 TIMING: 1687200 CPU: 5334.65, 0.00316716/step Wall: 5334.65, 0.00316716/step, 2.91449 hours remaining, 235.085938 MB of memory in use. ENERGY: 1687200 4126.6390 20445.1148 14553.4290 242.3798 -203156.3931 2408.8397 0.0000 0.0000 52155.5807 -109224.4102 299.7388 -161379.9909 -108863.0051 299.2344 -285.9915 -254.6251 762073.0532 1.8730 1.7853 PRESSURE: 1687400 195.449 -163.096 91.0089 -163.097 -127.435 -312.657 91.0074 -312.657 -207.964 GPRESSURE: 1687400 165.458 -132.517 -12.4163 -61.0425 -65.8812 -319.627 111.248 -186.297 -148.621 PRESSAVG: 1687400 25.1504 -8.90542 31.2653 -8.9054 13.1327 28.7062 31.2653 28.7062 -4.79709 GPRESSAVG: 1687400 25.045 -8.99086 30.7451 -8.02537 13.3767 25.5429 33.5692 29.6901 -5.24938 TIMING: 1687400 CPU: 5335.28, 0.00318016/step Wall: 5335.28, 0.00318016/step, 2.92628 hours remaining, 235.085938 MB of memory in use. ENERGY: 1687400 4042.5031 20489.5911 14510.0557 238.5224 -202999.9523 2563.9061 0.0000 0.0000 51849.3043 -109306.0695 297.9787 -161155.3738 -108943.0156 298.8895 -46.6500 -16.3479 764454.4066 11.1620 11.0574 PRESSURE: 1687600 31.1681 30.2954 41.7482 30.2959 -44.7208 216.129 41.7486 216.13 101.739 GPRESSURE: 1687600 106.403 57.4649 7.95297 104.603 -43.0346 183.148 109.262 234.044 98.3582 PRESSAVG: 1687600 -92.4526 -17.1295 22.8747 -17.1295 52.6692 10.7667 22.8747 10.7667 3.84147 GPRESSAVG: 1687600 -93.7566 -16.5982 25.7627 -16.9074 53.2916 12.3158 19.6363 9.25913 4.29581 TIMING: 1687600 CPU: 5335.91, 0.00315461/step Wall: 5335.91, 0.00315461/step, 2.90259 hours remaining, 235.085938 MB of memory in use. ENERGY: 1687600 3885.9127 20485.2516 14535.7351 249.9055 -202967.0870 2539.3144 0.0000 0.0000 51952.3543 -109318.6135 298.5709 -161270.9677 -108957.8796 299.0039 29.3954 53.9088 761941.1560 -11.9806 -12.0564 PRESSURE: 1687800 -98.1892 87.6007 -92.4897 87.6006 -170.337 126.211 -92.4899 126.211 -216.099 GPRESSURE: 1687800 -44.6015 -12.5896 -116.966 32.7689 -119.94 77.9909 -23.8563 119.714 -220.61 PRESSAVG: 1687800 -12.2836 -26.7312 -13.282 -26.7311 6.48281 25.9462 -13.282 25.9463 -0.893778 GPRESSAVG: 1687800 -11.625 -27.2477 -13.8117 -27.3994 7.04517 25.8248 -13.5257 25.6108 -2.02668 TIMING: 1687800 CPU: 5336.54, 0.00314323/step Wall: 5336.54, 0.00314324/step, 2.89195 hours remaining, 235.085938 MB of memory in use. ENERGY: 1687800 4010.8244 20270.9945 14566.0087 247.0027 -203371.2903 2663.9828 0.0000 0.0000 52239.2067 -109373.2705 300.2194 -161612.4772 -109008.0610 298.6563 -161.5415 -128.3839 760981.0524 -2.2315 -2.2022 PRESSURE: 1688000 -18.4533 -250.924 2.92197 -250.924 -298.322 1.41736 2.92092 1.41657 -402.605 GPRESSURE: 1688000 -33.8075 -234.644 0.994189 -239.637 -216.435 -10.1557 96.5652 160.137 -365.96 PRESSAVG: 1688000 -16.7886 23.7794 -24.1376 23.7794 31.0068 -3.78918 -24.1375 -3.78926 13.5937 GPRESSAVG: 1688000 -16.8766 24.3438 -26.1666 24.248 29.9944 -5.13572 -22.5328 -4.54742 14.6933 TIMING: 1688000 CPU: 5337.18, 0.00317842/step Wall: 5337.18, 0.00317842/step, 2.92414 hours remaining, 235.085938 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: 1688000 3933.2632 20409.6881 14601.9153 228.9206 -202978.8345 2452.9843 0.0000 0.0000 52207.3036 -109144.7593 300.0361 -161352.0630 -108779.6026 299.0915 -239.7932 -205.4010 761769.2166 9.2706 9.2704 PRESSURE: 1688200 365.409 -84.5805 143.121 -84.5806 300.947 142.906 143.121 142.907 70.7502 GPRESSURE: 1688200 337.248 -31.4357 149.262 9.04842 333.16 145.381 21.0368 126.007 155.063 PRESSAVG: 1688200 -56.8704 -20.1074 29.6859 -20.1074 33.9935 6.33255 29.6859 6.33257 -14.7985 GPRESSAVG: 1688200 -57.2967 -21.7482 29.997 -21.3052 35.0456 10.0786 28.6192 7.10978 -15.4543 TIMING: 1688200 CPU: 5337.81, 0.00315615/step Wall: 5337.81, 0.00315615/step, 2.90349 hours remaining, 235.085938 MB of memory in use. ENERGY: 1688200 3980.8861 20345.3098 14594.2046 258.9377 -203271.5427 2635.4748 0.0000 0.0000 52171.9978 -109284.7320 299.8332 -161456.7297 -108917.1328 299.2437 245.7022 275.1571 760848.0658 -12.5585 -12.5685 LDB: ============= START OF LOAD BALANCING ============== 5350.34 LDB: ============== END OF LOAD BALANCING =============== 5350.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5350.35 LDB: ============= START OF LOAD BALANCING ============== 5350.67 LDB: Largest compute 7042 load 0.032983 is 16.9% of average load 0.195436 LDB: Average compute 0.004388 is 2.2% of average load 0.195436 LDB: TIME 5350.67 LOAD: AVG 0.195436 MAX 0.215198 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 5350.67 LOAD: AVG 0.195436 MAX 0.215198 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 5350.67 LOAD: AVG 0.195436 MAX 0.215198 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 5350.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5350.68 PRESSURE: 1688400 -108.042 -110.326 -257.197 -110.327 -316.342 17.746 -257.197 17.7462 -234.778 GPRESSURE: 1688400 -65.6009 -67.7744 -224.017 -160.738 -362.545 -5.09228 -388.346 86.4889 -144.532 PRESSAVG: 1688400 15.746 -10.6644 -57.8109 -10.6645 17.4818 53.9413 -57.8109 53.9414 11.1884 GPRESSAVG: 1688400 15.035 -8.05503 -55.9676 -10.0575 17.4438 52.0171 -58.729 54.4182 11.9632 TIMING: 1688400 CPU: 5338.46, 0.0032512/step Wall: 5338.46, 0.00325119/step, 2.99074 hours remaining, 234.679688 MB of memory in use. ENERGY: 1688400 4009.5191 20407.0182 14534.8646 253.8377 -202948.1786 2476.8368 0.0000 0.0000 52068.8459 -109197.2563 299.2404 -161266.1022 -108838.9440 299.4351 -219.7205 -190.8928 763618.9649 14.8054 14.8140 PRESSURE: 1688600 -46.5182 -90.3898 -188.483 -90.3891 -120.37 38.8616 -188.484 38.8607 71.577 GPRESSURE: 1688600 -96.6478 -179.203 -215.379 48.1717 -139.153 66.0566 -108.948 -76.1301 216.204 PRESSAVG: 1688600 14.3306 -40.4696 -63.3693 -40.4696 -51.2745 -20.8964 -63.3693 -20.8963 5.70414 GPRESSAVG: 1688600 15.9141 -41.9122 -65.7235 -38.748 -52.7836 -20.3464 -64.1302 -22.9015 5.78442 TIMING: 1688600 CPU: 5339.09, 0.00317372/step Wall: 5339.09, 0.00317372/step, 2.91929 hours remaining, 235.007812 MB of memory in use. ENERGY: 1688600 4024.4414 20441.1667 14585.7476 246.7786 -203273.9554 2856.0371 0.0000 0.0000 52168.7147 -108951.0694 299.8143 -161119.7841 -108588.0472 299.6544 -31.7704 -6.5323 763241.4334 -10.4133 -10.3617 PRESSURE: 1688800 257.318 46.6422 62.3847 46.6416 7.25146 81.0245 62.3845 81.025 -342.992 GPRESSURE: 1688800 245.324 3.04202 97.5417 48.9202 51.0614 53.1226 8.33346 58.0364 -272.953 PRESSAVG: 1688800 8.92861 33.7444 -36.3022 33.7443 -17.2638 47.1398 -36.3021 47.1398 -6.60148 GPRESSAVG: 1688800 7.77748 34.7094 -36.5925 30.7195 -17.0552 46.8642 -33.3246 47.2998 -5.19279 TIMING: 1688800 CPU: 5339.73, 0.0031807/step Wall: 5339.73, 0.0031807/step, 2.92554 hours remaining, 235.007812 MB of memory in use. ENERGY: 1688800 3977.4598 20639.7335 14509.3353 256.9895 -202947.1326 2517.4024 0.0000 0.0000 52068.0432 -108978.1689 299.2358 -161046.2122 -108619.0778 299.3477 -26.1408 7.8108 763588.6039 -4.9789 -4.8235 PRESSURE: 1689000 -346.613 40.2178 6.66387 40.2183 5.71228 81.5132 6.66363 81.5128 16.3318 GPRESSURE: 1689000 -253.286 -27.6171 -62.6731 38.637 -25.8683 134.189 -96.965 114.207 40.4497 PRESSAVG: 1689000 -25.5464 -38.4377 21.5797 -38.4378 5.22348 60.8121 21.5796 60.812 -15.6828 GPRESSAVG: 1689000 -25.5969 -39.5712 21.9605 -35.2455 5.62627 61.1482 19.6547 61.2554 -16.406 TIMING: 1689000 CPU: 5340.37, 0.0031742/step Wall: 5340.37, 0.0031742/step, 2.91938 hours remaining, 235.007812 MB of memory in use. ENERGY: 1689000 3924.2104 20579.4946 14519.8167 238.5887 -202918.3779 2380.1276 0.0000 0.0000 51957.9884 -109318.1515 298.6033 -161276.1399 -108967.1550 299.2265 -108.1896 -79.5682 763780.0494 -12.0019 -12.1255 PRESSURE: 1689200 207.649 -10.6853 -130.996 -10.6855 -21.7254 -190.742 -130.996 -190.741 29.1136 GPRESSURE: 1689200 145.932 10.8229 -195.286 -52.7724 66.545 -266.457 -175.069 -232.935 83.2358 PRESSAVG: 1689200 69.8725 -30.5755 -8.89644 -30.5755 -92.461 -27.6326 -8.89645 -27.6326 -1.22759 GPRESSAVG: 1689200 70.0306 -30.7086 -7.41003 -29.8986 -93.34 -28.4883 -9.98288 -28.5788 -0.799604 TIMING: 1689200 CPU: 5341, 0.0031871/step Wall: 5341, 0.0031871/step, 2.93107 hours remaining, 235.007812 MB of memory in use. ENERGY: 1689200 3899.6603 20518.5350 14562.1441 240.2777 -203136.7086 2761.4686 0.0000 0.0000 51903.3404 -109251.2825 298.2892 -161154.6229 -108889.7550 298.6160 71.6789 98.5708 762991.7734 -7.9387 -8.0363 PRESSURE: 1689400 -26.96 -68.3825 40.7578 -68.3828 -285.238 298.295 40.7578 298.295 -163.165 GPRESSURE: 1689400 -137.203 10.4045 113.316 -27.4932 -181.754 341.43 55.4401 325.774 -83.3763 PRESSAVG: 1689400 3.59281 -14.411 -10.5348 -14.411 -10.3648 38.9138 -10.5348 38.9138 16.1746 GPRESSAVG: 1689400 4.40779 -12.2597 -10.4297 -15.9511 -10.5175 38.9154 -9.45375 41.1843 15.1394 TIMING: 1689400 CPU: 5341.64, 0.00319482/step Wall: 5341.64, 0.00319482/step, 2.93799 hours remaining, 235.007812 MB of memory in use. ENERGY: 1689400 4007.0140 20493.0548 14562.1608 230.7776 -202611.1000 2307.1703 0.0000 0.0000 51931.1291 -109079.7935 298.4489 -161010.9226 -108715.2058 298.9022 -158.4544 -134.1112 763800.9780 3.1342 3.0099 PRESSURE: 1689600 -329.886 -108.959 -90.7798 -108.957 88.5378 -53.8449 -90.7796 -53.8444 362.71 GPRESSURE: 1689600 -283.402 -50.5087 -134.909 -60.6993 188.387 -52.486 56.749 -17.4211 300.494 PRESSAVG: 1689600 20.9371 24.7854 -21.9762 24.7854 -29.8322 0.487639 -21.9761 0.487628 7.98752 GPRESSAVG: 1689600 20.5928 22.764 -21.7016 25.8436 -30.8309 0.513591 -23.5216 0.670095 9.01667 TIMING: 1689600 CPU: 5342.28, 0.00318199/step Wall: 5342.28, 0.00318199/step, 2.92602 hours remaining, 235.007812 MB of memory in use. ENERGY: 1689600 3992.1491 20414.7492 14623.7112 260.6055 -203088.2675 2679.1256 0.0000 0.0000 51976.7102 -109141.2166 298.7109 -161117.9269 -108779.4825 299.4502 40.4540 68.4929 763281.5991 -0.3025 -0.4072 PRESSURE: 1689800 466.451 -104.822 10.554 -104.822 -64.4676 111.288 10.5538 111.288 105.554 GPRESSURE: 1689800 484.387 6.81979 -63.486 41.5174 21.579 171.289 -18.8355 11.7838 73.6482 PRESSAVG: 1689800 9.06867 -41.509 -36.4088 -41.509 14.1679 -29.4795 -36.4087 -29.4794 0.259371 GPRESSAVG: 1689800 7.9737 -40.097 -38.4817 -43.6746 15.4717 -28.7212 -32.088 -32.919 -0.782155 TIMING: 1689800 CPU: 5342.91, 0.00317688/step Wall: 5342.91, 0.00317688/step, 2.92114 hours remaining, 235.007812 MB of memory in use. ENERGY: 1689800 3938.1374 20511.1475 14542.9660 235.7892 -203117.7250 2810.6715 0.0000 0.0000 52064.2189 -109014.7945 299.2138 -161079.0133 -108653.7809 300.0540 169.1791 193.2049 761793.2060 7.8320 7.5544 PRESSURE: 1690000 -207.752 -64.1511 226.407 -64.1516 -194.002 -75.61 226.407 -75.6115 34.1768 GPRESSURE: 1690000 -231.418 -83.0263 192.439 -46.5654 -99.0394 -93.4667 66.0809 -101.755 55.8617 PRESSAVG: 1690000 1.16069 41.6806 24.6225 41.6806 42.03 23.9104 24.6226 23.9104 -11.4503 GPRESSAVG: 1690000 1.20414 42.9541 26.0214 41.0205 41.834 23.5769 20.2571 25.3993 -10.9625 TIMING: 1690000 CPU: 5343.55, 0.00319179/step Wall: 5343.55, 0.00319179/step, 2.93467 hours remaining, 235.007812 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: 1690000 3944.0293 20408.8422 14535.5751 269.4520 -202583.1888 2342.9554 0.0000 0.0000 51927.0787 -109155.2561 298.4256 -161082.3348 -108797.4606 299.6389 -122.5260 -91.5317 763498.4585 10.5801 10.6919 PRESSURE: 1690200 -244.557 132.464 27.508 132.463 -17.786 56.8971 27.5085 56.8981 86.4613 GPRESSURE: 1690200 -198.001 130.636 73.3873 118.188 -7.30603 134.119 -19.6177 152.711 110.484 PRESSAVG: 1690200 11.3254 23.1037 23.038 23.1037 -48.4398 56.895 23.038 56.8951 7.10687 GPRESSAVG: 1690200 12.326 21.662 20.9993 21.4048 -49.1808 56.5531 25.9569 57.936 6.9704 TIMING: 1690200 CPU: 5344.19, 0.00319972/step Wall: 5344.19, 0.00319972/step, 2.94179 hours remaining, 235.007812 MB of memory in use. ENERGY: 1690200 3958.0420 20461.7723 14501.4396 234.1962 -203083.2123 2659.8028 0.0000 0.0000 52088.6034 -109179.3559 299.3539 -161267.9593 -108825.3703 299.1514 -58.6273 -31.6077 763191.2374 -10.0025 -9.9615 PRESSURE: 1690400 -129.529 -77.5818 -95.4518 -77.5824 -128.05 -46.6991 -95.4522 -46.7002 -120.018 GPRESSURE: 1690400 -152.372 -116.974 -39.8778 -155.55 -74.6794 -82.4833 -81.9708 -21.5596 -80.7702 PRESSAVG: 1690400 60.937 34.5648 -9.248 34.5648 9.63807 -26.208 -9.24799 -26.208 -3.26001 GPRESSAVG: 1690400 61.0682 32.4259 -7.40065 36.8182 8.73665 -26.0177 -9.97131 -25.0286 -2.79958 TIMING: 1690400 CPU: 5344.82, 0.00316308/step Wall: 5344.82, 0.00316308/step, 2.90793 hours remaining, 235.007812 MB of memory in use. ENERGY: 1690400 4044.8602 20469.0554 14586.3104 251.1240 -203018.7498 2448.2575 0.0000 0.0000 51919.3626 -109299.7797 298.3813 -161219.1423 -108942.8613 299.4465 -125.8657 -102.6070 761723.7498 22.4383 22.3351 PRESSURE: 1690600 -218.746 103.441 267.714 103.441 20.0789 -186.804 267.712 -186.805 -117.031 GPRESSURE: 1690600 -143.619 152.559 265.393 108.664 -33.3955 -108.59 200.832 -211.872 -65.3054 PRESSAVG: 1690600 -0.871465 37.9545 -22.1641 37.9545 -4.89636 53.5971 -22.1641 53.5972 -3.71295 GPRESSAVG: 1690600 -0.695498 38.7104 -22.9029 41.0168 -4.57419 52.3022 -23.1659 53.0683 -4.42888 TIMING: 1690600 CPU: 5345.46, 0.0031618/step Wall: 5345.46, 0.0031618/step, 2.90657 hours remaining, 235.007812 MB of memory in use. ENERGY: 1690600 4090.0680 20492.5766 14542.7325 237.4653 -202983.0568 2261.3156 0.0000 0.0000 52199.1231 -109159.7756 299.9891 -161358.8988 -108802.6840 299.2426 -105.2327 -80.7732 761370.7136 -3.1603 -3.2329 PRESSURE: 1690800 -188.532 -199.756 -30.9817 -199.756 101.23 -105.859 -30.9816 -105.859 508.278 GPRESSURE: 1690800 -145.66 -181.543 50.1618 -146.167 146.259 -120.475 -56.4052 -108.202 512.041 PRESSAVG: 1690800 15.104 -73.2486 -26.6171 -73.2486 24.2541 -5.49012 -26.6171 -5.49008 7.73824 GPRESSAVG: 1690800 14.1779 -73.9162 -26.7359 -75.2117 25.1674 -3.78367 -26.093 -6.56095 8.6593 TIMING: 1690800 CPU: 5346.09, 0.0031696/step Wall: 5346.09, 0.0031696/step, 2.91356 hours remaining, 235.007812 MB of memory in use. ENERGY: 1690800 3922.0086 20395.7591 14550.5473 243.7160 -203208.1731 2727.4598 0.0000 0.0000 52266.9470 -109101.7352 300.3789 -161368.6822 -108736.5567 299.7049 140.3255 170.8801 763066.9386 15.6988 16.0015 PRESSURE: 1691000 -121.82 -199.585 -192.372 -199.585 -194.89 2.97315 -192.373 2.97359 -395.079 GPRESSURE: 1691000 -96.4379 -180.02 -236.451 -222.179 -167.434 -0.556126 -2.76171 -6.76856 -368.352 PRESSAVG: 1691000 41.2754 -51.7896 2.17557 -51.7896 -94.7145 64.8578 2.17551 64.8578 17.0851 GPRESSAVG: 1691000 41.0716 -51.7512 2.89796 -51.1709 -93.2553 66.9998 2.7404 63.2852 15.9357 TIMING: 1691000 CPU: 5346.72, 0.00315848/step Wall: 5346.72, 0.00315848/step, 2.90317 hours remaining, 235.007812 MB of memory in use. ENERGY: 1691000 3933.1996 20554.7219 14525.9306 252.6356 -202874.2424 2283.0931 0.0000 0.0000 51956.4704 -109368.1911 298.5945 -161324.6615 -109005.1611 299.1287 -237.2628 -210.7414 762355.0716 -12.1180 -12.0827 PRESSURE: 1691200 -225.657 62.6726 -121.459 62.6734 53.92 96.9869 -121.46 96.9869 -141.398 GPRESSURE: 1691200 -220.257 56.1654 -152.778 6.26321 80.6894 111.666 -52.8984 112.123 -110.753 PRESSAVG: 1691200 43.0517 22.6794 47.7127 22.6793 -3.35754 31.6962 47.7126 31.6962 -10.7204 GPRESSAVG: 1691200 43.5247 24.63 47.1139 22.8519 -4.81015 28.9824 44.5307 33.7898 -9.78631 TIMING: 1691200 CPU: 5347.35, 0.00315678/step Wall: 5347.35, 0.00315678/step, 2.90143 hours remaining, 235.007812 MB of memory in use. ENERGY: 1691200 3988.9978 20599.9914 14558.7712 247.4286 -202955.9653 2532.1431 0.0000 0.0000 51829.5636 -109199.0695 297.8652 -161028.6331 -108842.4044 298.9127 -104.3783 -83.4401 761749.4059 9.6579 9.6427 PRESSURE: 1691400 -131.546 76.8266 -22.6731 76.8265 169.393 -137.25 -22.6738 -137.251 238.449 GPRESSURE: 1691400 23.1025 19.1718 4.28027 14.6286 77.9934 -150.459 42.6737 -195.677 241.234 PRESSAVG: 1691400 16.3798 39.4267 1.4648 39.4267 -6.34055 62.124 1.46486 62.1239 -0.392963 GPRESSAVG: 1691400 17.495 38.8375 1.58264 36.2853 -5.8877 62.4669 4.87294 63.7964 -1.82827 TIMING: 1691400 CPU: 5347.98, 0.00315312/step Wall: 5347.98, 0.00315312/step, 2.89789 hours remaining, 235.007812 MB of memory in use. ENERGY: 1691400 4018.6162 20504.3967 14467.5606 262.1949 -203061.5948 2592.8681 0.0000 0.0000 52041.5627 -109174.3956 299.0836 -161215.9583 -108818.0831 299.3589 92.0984 114.1101 762929.8860 3.2154 3.2597 PRESSURE: 1691600 -162.63 61.8399 -69.4448 61.8391 -691.065 147.844 -69.4456 147.844 -198.841 GPRESSURE: 1691600 -50.3564 159.964 -46.641 -5.94061 -687.269 132.91 -81.1263 145.692 -232.963 PRESSAVG: 1691600 36.0369 45.0375 32.8154 45.0376 -23.4149 34.3734 32.8154 34.3735 1.14118 GPRESSAVG: 1691600 34.3953 45.4975 32.5809 47.447 -23.742 34.6266 31.1069 32.0939 2.74002 TIMING: 1691600 CPU: 5348.61, 0.00314773/step Wall: 5348.61, 0.00314773/step, 2.89276 hours remaining, 235.007812 MB of memory in use. ENERGY: 1691600 4027.4091 20576.2631 14537.5501 235.2517 -203124.3956 2226.5655 0.0000 0.0000 52404.5574 -109116.7987 301.1697 -161521.3561 -108744.7011 299.6564 -350.8453 -323.5295 762630.8002 4.5877 4.4644 PRESSURE: 1691800 -317.331 -73.4254 180.609 -73.426 46.6817 49.6438 180.608 49.6439 31.4026 GPRESSURE: 1691800 -206.695 -133.551 222.928 -49.0727 14.1402 44.834 83.1695 -33.7673 42.6525 PRESSAVG: 1691800 38.8805 -13.3489 4.34585 -13.3489 -0.766541 -11.7819 4.34576 -11.782 -25.2833 GPRESSAVG: 1691800 39.3877 -13.8415 5.50401 -14.0929 -0.801679 -11.7792 4.49128 -11.8898 -25.5524 TIMING: 1691800 CPU: 5349.24, 0.00315149/step Wall: 5349.24, 0.00315149/step, 2.89605 hours remaining, 235.007812 MB of memory in use. ENERGY: 1691800 3955.3465 20489.6979 14547.5366 247.5015 -203172.5556 2500.1190 0.0000 0.0000 52134.1284 -109298.2258 299.6156 -161432.3542 -108930.8310 299.5687 -79.7488 -49.9674 761740.3028 4.2769 4.3445 PRESSURE: 1692000 54.8779 -15.9504 -136.938 -15.9503 -161.062 -144.304 -136.938 -144.304 40.9304 GPRESSURE: 1692000 63.8618 90.1324 -140.599 39.0389 -145.513 -46.7039 -49.4793 16.1708 107.043 PRESSAVG: 1692000 25.1951 13.252 10.9786 13.252 -23.5815 50.2921 10.9786 50.2922 36.3035 GPRESSAVG: 1692000 25.5593 14.4268 10.4139 14.1186 -23.133 50.8174 10.6322 49.4996 36.1626 TIMING: 1692000 CPU: 5349.88, 0.00315679/step Wall: 5349.88, 0.00315679/step, 2.90074 hours remaining, 235.007812 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: 1692000 3930.3716 20648.4218 14582.8748 260.6215 -203545.2951 2763.3914 0.0000 0.0000 52059.2782 -109300.3357 299.1854 -161359.6139 -108948.1797 299.5452 -21.7512 8.4638 761495.9467 12.6390 12.8630 PRESSURE: 1692200 -299.137 37.0243 -54.8282 37.0253 -95.5603 40.3916 -54.8282 40.3928 41.609 GPRESSURE: 1692200 -221.581 -87.7152 29.9075 100.353 -101.675 103.999 -15.1413 121.606 53.1872 PRESSAVG: 1692200 60.6333 19.0842 -10.6898 19.0842 -48.5632 37.9728 -10.6898 37.9728 -5.09303 GPRESSAVG: 1692200 60.9027 16.5143 -12.5402 22.9356 -49.2102 38.2721 -8.70966 38.8516 -4.60421 TIMING: 1692200 CPU: 5350.5, 0.00314084/step Wall: 5350.5, 0.00314084/step, 2.88591 hours remaining, 235.007812 MB of memory in use. ENERGY: 1692200 3983.9325 20595.7695 14508.9314 256.0562 -203372.7312 2615.6416 0.0000 0.0000 52069.6513 -109342.7488 299.2450 -161412.4001 -108976.8458 299.2446 -117.6963 -90.0229 761819.2159 2.3257 2.3628 LDB: ============= START OF LOAD BALANCING ============== 5363.04 LDB: ============== END OF LOAD BALANCING =============== 5363.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5363.04 LDB: ============= START OF LOAD BALANCING ============== 5363.35 LDB: Largest compute 7042 load 0.031800 is 16.3% of average load 0.195398 LDB: Average compute 0.004385 is 2.2% of average load 0.195398 LDB: TIME 5363.36 LOAD: AVG 0.195398 MAX 0.218109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 5363.36 LOAD: AVG 0.195398 MAX 0.218109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 5363.36 LOAD: AVG 0.195398 MAX 0.217014 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 5363.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5363.36 PRESSURE: 1692400 46.8549 26.1864 -155.171 26.1864 -64.8188 10.7544 -155.171 10.7542 -503.983 GPRESSURE: 1692400 -22.4958 28.8279 -243.648 -6.51439 -0.680364 -34.1798 -118.02 -74.1577 -411.549 PRESSAVG: 1692400 56.8185 42.232 10.0192 42.232 -45.8102 23.1805 10.0193 23.1806 -30.4352 GPRESSAVG: 1692400 55.6592 44.2576 11.6373 39.3965 -45.028 22.7286 8.77286 22.2701 -30.2525 TIMING: 1692400 CPU: 5351.15, 0.00321869/step Wall: 5351.15, 0.00321869/step, 2.95726 hours remaining, 236.421875 MB of memory in use. ENERGY: 1692400 3890.2810 20560.0367 14527.8056 246.0255 -202857.8672 2182.4785 0.0000 0.0000 51853.6947 -109597.5452 298.0039 -161451.2399 -109234.1654 298.9963 -173.9823 -144.9084 762808.5088 -6.4756 -6.5404 PRESSURE: 1692600 153.19 40.3204 -100.477 40.3196 31.5871 176.514 -100.477 176.514 -354.038 GPRESSURE: 1692600 102.914 12.5241 -139.307 73.1974 71.0193 110.404 -157.951 130.418 -272.687 PRESSAVG: 1692600 34.2877 39.3829 -26.4224 39.3829 -59.6343 18.7284 -26.4223 18.7284 3.05941 GPRESSAVG: 1692600 33.9029 38.4884 -26.7364 38.8375 -59.0416 18.4406 -27.4846 19.6548 2.96209 TIMING: 1692600 CPU: 5351.78, 0.00315803/step Wall: 5351.78, 0.00315803/step, 2.90136 hours remaining, 236.625000 MB of memory in use. ENERGY: 1692600 3985.3554 20590.4072 14621.4964 246.4041 -203263.5310 2497.1966 0.0000 0.0000 51877.2253 -109445.4460 298.1391 -161322.6713 -109087.8920 298.7549 -56.4201 -32.9178 761927.2437 -7.4290 -7.3922 PRESSURE: 1692800 231.334 -129.244 -37.4508 -129.244 15.7283 -130.912 -37.451 -130.912 166.627 GPRESSURE: 1692800 276.737 -71.8418 -17.0973 -100.897 107.145 -236.75 69.7323 -184.535 116.56 PRESSAVG: 1692800 69.2321 3.36254 -27.4839 3.36257 -56.44 -0.992887 -27.4839 -0.992962 -2.04437 GPRESSAVG: 1692800 70.1952 4.22645 -27.3167 3.36907 -56.5812 -2.30165 -27.0347 0.534116 -3.26992 TIMING: 1692800 CPU: 5352.41, 0.00314743/step Wall: 5352.41, 0.00314743/step, 2.89143 hours remaining, 236.828125 MB of memory in use. ENERGY: 1692800 4071.7089 20664.5447 14532.3528 247.5952 -203374.5366 2728.4673 0.0000 0.0000 51689.8598 -109440.0079 297.0623 -161129.8677 -109085.2681 298.8031 137.8966 166.8137 760806.3394 3.5826 3.4480 PRESSURE: 1693000 10.2469 -359.137 -145.729 -359.138 -138.967 192.199 -145.729 192.2 -169.843 GPRESSURE: 1693000 26.0324 -259.496 -100.04 -256.563 -34.7681 180.796 -138.58 227.666 -221.186 PRESSAVG: 1693000 6.10762 -76.6781 -13.1302 -76.6781 -23.9734 -2.56697 -13.1302 -2.56694 -13.9977 GPRESSAVG: 1693000 7.1127 -75.0155 -13.4281 -76.6714 -24.3312 -0.293691 -11.8129 -5.72958 -13.9783 TIMING: 1693000 CPU: 5353.04, 0.00314285/step Wall: 5353.04, 0.00314285/step, 2.88706 hours remaining, 236.828125 MB of memory in use. ENERGY: 1693000 3956.5740 20416.0146 14565.9229 243.0126 -203424.3036 2626.8100 0.0000 0.0000 51971.9323 -109644.0373 298.6834 -161615.9696 -109285.5663 298.6380 -99.5211 -76.6404 762818.0564 -10.6212 -10.3989 PRESSURE: 1693200 -72.5553 74.8089 126.844 74.8083 257.888 38.211 126.845 38.2118 -204.162 GPRESSURE: 1693200 -36.208 -35.5248 193.127 65.7531 258.217 81.3471 47.9541 -69.4636 -150.002 PRESSAVG: 1693200 -1.7974 -74.365 8.93214 -74.365 5.3619 20.3225 8.93216 20.3225 -11.4457 GPRESSAVG: 1693200 -2.22551 -77.3663 8.3869 -73.7075 5.31131 19.67 9.18677 21.42 -10.5926 TIMING: 1693200 CPU: 5353.67, 0.00314406/step Wall: 5353.67, 0.00314406/step, 2.888 hours remaining, 236.894531 MB of memory in use. ENERGY: 1693200 4066.9272 20393.0970 14576.9103 236.3263 -203353.0264 2687.7905 0.0000 0.0000 51861.3939 -109530.5812 298.0481 -161391.9751 -109165.1835 298.4519 -6.2764 24.0026 760146.5464 -2.6271 -2.5023 PRESSURE: 1693400 -325.798 -197.576 -41.6725 -197.577 -266.263 189.124 -41.6725 189.123 109.23 GPRESSURE: 1693400 -274.678 -92.7707 6.00799 -136.262 -241.442 121.761 -109.665 140.06 110.948 PRESSAVG: 1693400 13.5445 -24.873 -0.502388 -24.873 71.6235 16.4393 -0.502399 16.4392 9.92507 GPRESSAVG: 1693400 13.1209 -23.5968 -0.385984 -26.7904 72.5795 15.211 -0.0397973 17.3706 9.10083 TIMING: 1693400 CPU: 5354.3, 0.00314657/step Wall: 5354.3, 0.00314657/step, 2.89013 hours remaining, 236.882812 MB of memory in use. ENERGY: 1693400 4010.8651 20349.8669 14501.9817 274.3625 -202925.9901 2405.5407 0.0000 0.0000 51820.2151 -109563.1580 297.8115 -161383.3731 -109200.1581 298.6451 -160.9439 -135.0571 762147.0346 31.6977 31.6004 PRESSURE: 1693600 54.0191 -106.487 -161.322 -106.485 -47.1618 -18.758 -161.322 -18.7581 86.785 GPRESSURE: 1693600 16.8678 -95.505 -208.496 24.3305 35.0306 -39.5992 -119.179 -21.353 114.435 PRESSAVG: 1693600 28.2793 -56.4234 16.4617 -56.4234 -33.7163 21.2621 16.4617 21.2621 6.58191 GPRESSAVG: 1693600 29.6139 -57.0226 18.036 -55.7851 -36.2662 22.0015 14.8946 20.781 8.46232 TIMING: 1693600 CPU: 5354.92, 0.00313705/step Wall: 5354.92, 0.00313705/step, 2.8812 hours remaining, 236.882812 MB of memory in use. ENERGY: 1693600 3938.1757 20501.5838 14521.9116 253.1299 -203270.3756 2578.8559 0.0000 0.0000 51942.9771 -109533.7416 298.5170 -161476.7188 -109171.9082 298.1564 31.2141 55.4444 761446.5563 0.3816 0.6033 PRESSURE: 1693800 -209.585 -19.3824 -52.6417 -19.3834 -99.7246 446.469 -52.6423 446.468 74.1686 GPRESSURE: 1693800 -232.879 -4.3813 86.6694 -91.5662 -18.7761 582.066 -150.866 426.588 101.776 PRESSAVG: 1693800 54.8595 -73.2434 -27.1115 -73.2434 3.44356 51.4672 -27.1116 51.4672 11.4606 GPRESSAVG: 1693800 52.7199 -74.9872 -26.6005 -72.799 5.85501 51.2891 -26.0486 52.0861 11.0635 TIMING: 1693800 CPU: 5355.55, 0.00314369/step Wall: 5355.55, 0.00314369/step, 2.88713 hours remaining, 236.882812 MB of memory in use. ENERGY: 1693800 3903.7522 20402.6076 14587.3933 242.8054 -202597.0685 2344.6766 0.0000 0.0000 51740.3563 -109375.4771 297.3525 -161115.8334 -109006.5948 299.0680 -78.3803 -49.9598 761184.8486 23.2546 23.2128 PRESSURE: 1694000 169.101 9.45186 61.8894 9.4515 233.235 34.8373 61.8886 34.8378 -63.4015 GPRESSURE: 1694000 156.053 69.3729 64.8526 104.378 287.575 -81.8039 -38.2808 97.3119 -38.5972 PRESSAVG: 1694000 47.3081 -45.859 8.00724 -45.859 -34.5048 19.0085 8.00724 19.0085 10.287 GPRESSAVG: 1694000 47.1482 -43.9833 7.03288 -46.1745 -35.149 18.9763 7.93087 17.789 10.9198 TIMING: 1694000 CPU: 5356.18, 0.00315219/step Wall: 5356.18, 0.00315219/step, 2.89476 hours remaining, 236.882812 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: 1694000 4021.8000 20276.5587 14529.5646 259.8711 -203369.7313 2655.2758 0.0000 0.0000 52184.5267 -109442.1344 299.9052 -161626.6611 -109089.1217 298.6917 112.9782 135.0102 760921.7317 7.6968 7.6397 PRESSURE: 1694200 -444.836 -183.835 9.30233 -183.836 -209.087 118.253 9.30233 118.253 -191.684 GPRESSURE: 1694200 -312.877 -170.695 -12.3862 -191.604 -187.129 102.43 -57.1094 86.558 -244.898 PRESSAVG: 1694200 -5.02191 -20.2775 21.4917 -20.2776 -1.55776 25.8326 21.4917 25.8326 -16.8739 GPRESSAVG: 1694200 -4.59263 -19.3098 19.8498 -20.7871 -0.783807 25.8113 19.9889 26.0906 -17.9089 TIMING: 1694200 CPU: 5356.81, 0.00315489/step Wall: 5356.81, 0.00315489/step, 2.89707 hours remaining, 236.894531 MB of memory in use. ENERGY: 1694200 4031.3629 20460.4676 14526.8172 240.4048 -202961.7213 2394.2558 0.0000 0.0000 51671.4839 -109636.9291 296.9567 -161308.4131 -109290.5243 298.7358 -281.8690 -248.3012 762184.6037 -7.8179 -7.7618 PRESSURE: 1694400 -521.212 311.607 58.0686 311.607 -248.516 19.065 58.0692 19.0653 -536.57 GPRESSURE: 1694400 -476.535 256.823 97.2133 432.66 -301.66 6.15766 161.798 16.9158 -468.538 PRESSAVG: 1694400 17.7651 9.25537 -17.0725 9.25537 0.793842 15.0711 -17.0725 15.0712 -20.807 GPRESSAVG: 1694400 17.9409 8.7785 -15.9202 9.35642 0.626631 13.5688 -15.611 15.444 -20.9232 TIMING: 1694400 CPU: 5357.44, 0.00315168/step Wall: 5357.44, 0.00315168/step, 2.89395 hours remaining, 236.894531 MB of memory in use. ENERGY: 1694400 3991.8344 20424.2155 14519.6296 252.8948 -203322.9087 2474.3716 0.0000 0.0000 51913.6445 -109746.3184 298.3484 -161659.9628 -109380.5464 298.3111 -435.4325 -415.5775 763877.3500 -0.7494 -0.7852 PRESSURE: 1694600 -430.539 -191.58 52.8954 -191.58 -368.919 -104.162 52.8956 -104.162 -151.745 GPRESSURE: 1694600 -311.358 -124.802 90.4946 -40.4629 -387.075 -182.255 21.5681 -133.558 -163.42 PRESSAVG: 1694600 34.4414 61.5553 33.0072 61.5552 -55.5152 40.9436 33.0072 40.9437 1.00778 GPRESSAVG: 1694600 32.6371 61.5027 33.0081 63.4367 -54.3616 41.8258 33.1125 42.1541 1.57461 TIMING: 1694600 CPU: 5358.07, 0.00313891/step Wall: 5358.07, 0.00313891/step, 2.88204 hours remaining, 236.894531 MB of memory in use. ENERGY: 1694600 4061.2040 20432.7864 14579.4507 256.6261 -203389.3898 2609.1056 0.0000 0.0000 51889.4992 -109560.7178 298.2097 -161450.2169 -109205.5097 298.3959 -317.0675 -287.2844 762011.0683 -6.6887 -6.7166 PRESSURE: 1694800 -84.8494 -42.0072 -11.9569 -42.0081 -118.515 -33.2846 -11.9571 -33.2848 13.1888 GPRESSURE: 1694800 -108.255 -32.4872 17.0685 -66.077 -52.4917 -28.1978 -10.2068 21.5957 90.6188 PRESSAVG: 1694800 40.2047 -4.74689 -4.18298 -4.74689 15.9121 14.0765 -4.18292 14.0764 -19.4146 GPRESSAVG: 1694800 41.0858 -5.65549 -5.87428 -5.70031 14.4984 13.3227 -3.61254 12.2784 -18.9715 TIMING: 1694800 CPU: 5358.7, 0.00315146/step Wall: 5358.7, 0.00315146/step, 2.89339 hours remaining, 236.894531 MB of memory in use. ENERGY: 1694800 4003.9700 20272.6539 14504.2980 232.1748 -203658.3017 2887.6149 0.0000 0.0000 52146.5492 -109611.0409 299.6869 -161757.5901 -109247.1028 299.1277 -63.3919 -23.3761 760507.3147 12.2341 12.2043 PRESSURE: 1695000 67.1896 53.7948 -221.339 53.7949 -97.0139 111.196 -221.339 111.196 -102.432 GPRESSURE: 1695000 119.488 141.474 -250.215 224.737 -51.3298 110.284 -356.221 118.194 -134.298 PRESSAVG: 1695000 14.9603 40.9766 -76.776 40.9766 -20.5162 3.52593 -76.776 3.52602 8.64196 GPRESSAVG: 1695000 16.2999 41.441 -76.5905 39.0471 -20.6778 5.74931 -77.8696 3.7119 7.43729 TIMING: 1695000 CPU: 5359.33, 0.00314551/step Wall: 5359.33, 0.00314551/step, 2.88775 hours remaining, 236.894531 MB of memory in use. ENERGY: 1695000 3986.6397 20426.4488 14550.1241 245.8020 -202985.7160 2356.0939 0.0000 0.0000 51845.3756 -109575.2319 297.9561 -161420.6075 -109224.9461 298.8193 -44.0856 -22.0468 761991.3925 1.0287 1.0198 PRESSURE: 1695200 -145.456 -85.2255 -68.321 -85.2253 -30.6969 157.463 -68.3211 157.463 -41.0348 GPRESSURE: 1695200 -147.215 -69.6294 -40.257 -40.2414 71.7523 187.704 -7.23538 105.642 -58.0958 PRESSAVG: 1695200 31.0527 16.3062 48.2668 16.3063 -16.7305 24.9381 48.2668 24.9381 -0.692691 GPRESSAVG: 1695200 30.1108 14.4452 50.1421 18.3387 -16.1004 24.9915 48.9164 23.6052 0.197505 TIMING: 1695200 CPU: 5359.96, 0.00313845/step Wall: 5359.96, 0.00313845/step, 2.8811 hours remaining, 236.894531 MB of memory in use. ENERGY: 1695200 3955.8671 20264.2093 14503.6632 256.8486 -203592.3892 2828.2253 0.0000 0.0000 51940.9726 -109842.6030 298.5055 -161783.5756 -109475.3886 298.2005 -72.3960 -44.5194 762232.9635 4.5432 4.7359 PRESSURE: 1695400 -259.059 -276.579 -22.5139 -276.58 -92.1491 32.2238 -22.5146 32.2227 34.4413 GPRESSURE: 1695400 -206.007 -198.306 113.302 -164.806 -113.826 -36.8525 -31.1285 43.8723 73.06 PRESSAVG: 1695400 -14.2382 47.5465 31.7678 47.5466 11.7137 32.5594 31.7678 32.5594 15.1714 GPRESSAVG: 1695400 -13.8776 48.7348 31.8951 48.0062 11.548 31.2016 32.5383 33.4761 14.8744 TIMING: 1695400 CPU: 5360.59, 0.00314762/step Wall: 5360.59, 0.00314762/step, 2.88934 hours remaining, 236.894531 MB of memory in use. ENERGY: 1695400 3963.4397 20484.6700 14522.2338 234.5878 -203628.8466 2970.5199 0.0000 0.0000 52080.1806 -109373.2148 299.3055 -161453.3954 -109020.2266 298.4062 -105.5888 -82.2578 761803.2574 4.2156 4.1816 PRESSURE: 1695600 -66.7131 71.3307 2.7563 71.3305 114.868 82.9467 2.7565 82.9469 -73.2446 GPRESSURE: 1695600 -32.0844 156.139 -51.6331 142.591 130.823 45.414 -97.8798 62.0645 -25.6947 PRESSAVG: 1695600 18.3143 14.482 32.6927 14.482 47.3937 30.7811 32.6927 30.781 16.5434 GPRESSAVG: 1695600 17.7163 15.5975 32.4595 14.0751 47.9662 31.8421 29.7607 29.7759 16.1041 TIMING: 1695600 CPU: 5361.22, 0.00314716/step Wall: 5361.22, 0.00314716/step, 2.88874 hours remaining, 236.894531 MB of memory in use. ENERGY: 1695600 4075.5282 20533.7400 14541.8248 228.7769 -203718.1190 2969.0184 0.0000 0.0000 52036.2151 -109333.0156 299.0528 -161369.2307 -108973.7755 299.3729 -8.3631 24.3481 760580.5139 27.4171 27.2622 PRESSURE: 1695800 6.36077 134.715 -23.5209 134.714 -204.419 -3.08026 -23.5209 -3.07942 -355.156 GPRESSURE: 1695800 29.8523 231.59 6.79123 108.123 -163.996 -58.4585 157.57 129.659 -336.636 PRESSAVG: 1695800 17.025 -5.25636 22.9533 -5.25636 -42.1041 15.258 22.9534 15.2581 7.20954 GPRESSAVG: 1695800 18.1172 -4.86861 22.4065 -5.64016 -43.9706 14.4642 25.9212 14.8176 7.7962 TIMING: 1695800 CPU: 5361.85, 0.00314611/step Wall: 5361.85, 0.00314611/step, 2.88761 hours remaining, 236.894531 MB of memory in use. ENERGY: 1695800 3933.4338 20466.3600 14530.9346 262.3142 -203348.1426 2487.4757 0.0000 0.0000 52171.0131 -109496.6112 299.8275 -161667.6243 -109131.0081 299.3237 -184.4046 -156.9265 762166.5736 -5.9565 -6.0190 PRESSURE: 1696000 -120.539 13.8137 128.597 13.8138 61.2872 -158.05 128.596 -158.049 163.768 GPRESSURE: 1696000 -59.8142 -49.5229 224.689 -38.2712 83.6648 -189.025 85.4859 -142.867 161.385 PRESSAVG: 1696000 51.5043 19.1622 15.0294 19.1621 -57.2313 -41.694 15.0294 -41.694 0.951129 GPRESSAVG: 1696000 49.8109 18.7568 16.3999 19.3928 -55.7801 -41.0492 12.7497 -42.5174 0.787357 TIMING: 1696000 CPU: 5362.48, 0.00314953/step Wall: 5362.48, 0.00314953/step, 2.89056 hours remaining, 236.894531 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: 1696000 3995.5636 20409.4799 14493.6058 273.7286 -203735.4254 2980.7703 0.0000 0.0000 52020.8934 -109561.3837 298.9648 -161582.2771 -109194.2160 298.6290 34.8385 61.7452 762529.2802 -1.5919 -1.7273 PRESSURE: 1696200 117.068 -66.3877 -140.594 -66.3878 336.954 94.3724 -140.594 94.3724 -150.221 GPRESSURE: 1696200 150.383 47.7254 -200.041 -49.0127 360.779 108.249 -198.189 108.551 -146.917 PRESSAVG: 1696200 14.1656 7.48757 0.873264 7.48764 -26.8623 -22.6796 0.87325 -22.6794 -2.59751 GPRESSAVG: 1696200 16.0065 7.20873 0.231254 6.1252 -26.3418 -22.3546 -1.06793 -20.7041 -4.57444 TIMING: 1696200 CPU: 5363.11, 0.00315471/step Wall: 5363.11, 0.00315471/step, 2.89515 hours remaining, 236.894531 MB of memory in use. ENERGY: 1696200 4054.5379 20444.1480 14537.9283 258.1197 -203696.0208 2891.1753 0.0000 0.0000 52078.4876 -109431.6240 299.2958 -161510.1116 -109065.7954 298.6613 101.2672 121.4151 760904.9844 -5.0981 -4.9699 LDB: ============= START OF LOAD BALANCING ============== 5375.64 LDB: ============== END OF LOAD BALANCING =============== 5375.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5375.64 LDB: ============= START OF LOAD BALANCING ============== 5375.95 LDB: Largest compute 7042 load 0.031944 is 16.3% of average load 0.195560 LDB: Average compute 0.004398 is 2.2% of average load 0.195560 LDB: TIME 5375.96 LOAD: AVG 0.19556 MAX 0.213937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.465 MB LDB: TIME 5375.96 LOAD: AVG 0.19556 MAX 0.213937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.531 MB LDB: TIME 5375.96 LOAD: AVG 0.19556 MAX 0.213937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.531 MB LDB: ============== END OF LOAD BALANCING =============== 5375.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5375.96 PRESSURE: 1696400 7.39752 -51.2106 -47.023 -51.2104 56.8335 -70.3452 -47.0234 -70.3449 89.756 GPRESSURE: 1696400 186.727 41.1967 -127.86 6.63399 37.8998 -99.1302 -53.9294 -22.5249 11.118 PRESSAVG: 1696400 18.1833 11.1686 4.4264 11.1687 -13.2473 27.8741 4.42634 27.8741 14.2806 GPRESSAVG: 1696400 17.7151 13.3814 4.1672 13.3145 -14.6936 27.1574 6.66959 28.1298 15.1647 TIMING: 1696400 CPU: 5363.75, 0.00320008/step Wall: 5363.75, 0.00320008/step, 2.93661 hours remaining, 236.355469 MB of memory in use. ENERGY: 1696400 3969.7510 20402.0388 14577.7067 255.7477 -203367.6896 2704.5542 0.0000 0.0000 52163.7350 -109294.1563 299.7857 -161457.8912 -108924.2665 299.1629 51.3290 78.5817 761177.8227 6.4055 6.0620 PRESSURE: 1696600 -73.6439 61.6782 57.2618 61.678 -11.376 208.455 57.2622 208.455 -270.282 GPRESSURE: 1696600 -70.6549 -47.3879 1.44325 -31.0803 5.97709 209.671 126.946 207.56 -216.497 PRESSAVG: 1696600 -16.0978 -19.635 12.1461 -19.635 -28.9531 20.1682 12.1461 20.1682 6.29708 GPRESSAVG: 1696600 -16.392 -24.0412 10.0097 -17.8505 -29.7705 20.7447 13.1224 20.6795 6.8708 TIMING: 1696600 CPU: 5364.37, 0.00313929/step Wall: 5364.37, 0.00313929/step, 2.88065 hours remaining, 236.355469 MB of memory in use. ENERGY: 1696600 4004.1540 20505.6716 14480.7829 237.2235 -203441.0055 2651.2408 0.0000 0.0000 52240.4770 -109321.4558 300.2267 -161561.9328 -108970.2930 299.3191 -118.4339 -93.7249 762672.7296 -12.9179 -13.0972 PRESSURE: 1696800 32.067 -206.832 -6.67292 -206.832 -108.613 211.631 -6.67395 211.631 -98.7904 GPRESSURE: 1696800 44.9393 -244.352 -59.6017 -237.596 -40.4584 189.537 55.9792 198.477 -82.9681 PRESSAVG: 1696800 10.4325 -85.3758 27.2744 -85.3758 -11.7063 22.2777 27.2744 22.2778 11.9851 GPRESSAVG: 1696800 10.7592 -82.9 30.1017 -88.445 -11.7645 20.4966 25.6084 21.9545 11.5178 TIMING: 1696800 CPU: 5365, 0.00312856/step Wall: 5365, 0.00312856/step, 2.87063 hours remaining, 236.355469 MB of memory in use. ENERGY: 1696800 3945.6524 20524.1559 14534.9527 269.8139 -203691.1265 2907.8218 0.0000 0.0000 52192.3067 -109316.4232 299.9499 -161508.7299 -108952.8692 299.4567 -58.4454 -26.1624 763136.4844 3.5704 3.5042 PRESSURE: 1697000 247.627 270.086 -82.1481 270.086 485.084 18.4166 -82.1471 18.4171 -119.228 GPRESSURE: 1697000 349.583 218.925 -253.932 185.516 470.662 -45.5969 -113.926 36.4442 -118.014 PRESSAVG: 1697000 -49.6775 -65.9669 59.2438 -65.9669 36.1264 18.83 59.2438 18.83 -16.0186 GPRESSAVG: 1697000 -49.7204 -66.523 57.809 -66.0323 35.1899 18.8397 60.34 18.8509 -15.0829 TIMING: 1697000 CPU: 5365.63, 0.00313007/step Wall: 5365.63, 0.00313007/step, 2.87184 hours remaining, 236.355469 MB of memory in use. ENERGY: 1697000 4015.3250 20527.3517 14457.7112 253.6429 -203500.8247 2953.3336 0.0000 0.0000 51836.6747 -109456.7855 297.9061 -161293.4602 -109095.2356 299.0264 204.4941 234.0770 761975.5466 -9.8565 -9.8711 PRESSURE: 1697200 -68.5078 -261.31 126.351 -261.31 -244.815 13.1342 126.351 13.1342 -410.175 GPRESSURE: 1697200 -159.68 -246.671 103.858 -157.727 -136.429 -16.1095 51.2223 216.034 -344.383 PRESSAVG: 1697200 -3.69766 -3.22532 -7.38776 -3.22536 14.1238 60.3434 -7.3878 60.3434 -7.59756 GPRESSAVG: 1697200 -4.47987 -3.43092 -6.37538 -2.80756 15.2536 62.737 -7.51508 60.9067 -7.73678 TIMING: 1697200 CPU: 5366.26, 0.00316198/step Wall: 5366.26, 0.00316198/step, 2.90094 hours remaining, 236.355469 MB of memory in use. ENERGY: 1697200 4017.0664 20377.9667 14578.2178 231.3673 -203148.3502 2394.0054 0.0000 0.0000 52124.0363 -109425.6903 299.5576 -161549.7266 -109055.0702 299.3798 -241.1658 -213.4978 760399.4013 0.9428 1.0123 PRESSURE: 1697400 357.862 -6.0622 13.3959 -6.06237 116.041 108.698 13.3949 108.698 355.275 GPRESSURE: 1697400 316.695 -76.594 17.8868 -72.1908 242.709 33.2855 37.3571 100.745 360.873 PRESSAVG: 1697400 28.4185 3.20757 3.63516 3.20755 -32.9383 35.0072 3.63518 35.0072 -10.1144 GPRESSAVG: 1697400 28.0662 3.65111 3.92977 4.16964 -32.5351 33.4241 4.48865 35.1457 -10.2836 TIMING: 1697400 CPU: 5366.89, 0.00313175/step Wall: 5366.89, 0.00313175/step, 2.87303 hours remaining, 236.355469 MB of memory in use. ENERGY: 1697400 3930.2136 20481.7995 14517.3548 258.9979 -203532.1943 3049.2453 0.0000 0.0000 51974.2090 -109320.3742 298.6965 -161294.5833 -108956.1698 299.2593 276.3927 306.7592 760360.3555 -4.8781 -4.9175 PRESSURE: 1697600 -143.749 -116.993 -14.2001 -116.993 -331.512 42.1637 -14.2011 42.1631 -362.336 GPRESSURE: 1697600 -109.515 8.1679 50.1627 -190.413 -292.834 85.1491 -96.9926 28.0224 -356.291 PRESSAVG: 1697600 5.94754 -12.4219 -27.0098 -12.4219 8.71191 29.0258 -27.0097 29.0258 -9.48552 GPRESSAVG: 1697600 6.64429 -12.4461 -25.6935 -13.5462 8.09625 28.8469 -28.2577 29.2225 -10.005 TIMING: 1697600 CPU: 5367.52, 0.00315427/step Wall: 5367.52, 0.00315427/step, 2.89352 hours remaining, 236.355469 MB of memory in use. ENERGY: 1697600 3994.7742 20476.6980 14598.1799 253.2905 -203230.9708 2464.2857 0.0000 0.0000 51997.7298 -109446.0128 298.8317 -161443.7426 -109084.6384 299.6561 -279.1991 -252.8802 760372.7529 1.7246 1.5785 PRESSURE: 1697800 -324.981 -45.1376 124.289 -45.1371 80.4228 -225.175 124.29 -225.175 371.365 GPRESSURE: 1697800 -287.994 -41.4064 96.3408 -85.0335 146.092 -78.3467 80.9009 -289.808 320.999 PRESSAVG: 1697800 0.912117 -45.8918 16.1592 -45.8919 -29.5615 -57.1783 16.1591 -57.1783 3.76424 GPRESSAVG: 1697800 1.97405 -44.7544 14.0126 -46.6886 -30.3786 -56.5213 16.9956 -58.9354 3.77363 TIMING: 1697800 CPU: 5368.15, 0.00316734/step Wall: 5368.15, 0.00316734/step, 2.90533 hours remaining, 236.355469 MB of memory in use. ENERGY: 1697800 3959.3177 20560.0214 14571.2866 245.9389 -203684.3483 2850.9287 0.0000 0.0000 52132.7374 -109364.1177 299.6076 -161496.8551 -109004.8752 299.2630 42.2689 59.6989 760740.2611 -8.2950 -8.2103 PRESSURE: 1698000 -175.168 -130.107 -165.07 -130.106 -230.974 -289.845 -165.071 -289.845 -430.695 GPRESSURE: 1698000 -197.467 -196.682 -105.553 -12.5006 -196.746 -339.063 -259.95 -169.679 -357.966 PRESSAVG: 1698000 37.3838 -77.9893 -53.3143 -77.9893 9.95584 -0.372907 -53.3143 -0.372961 -11.4205 GPRESSAVG: 1698000 35.3406 -81.4317 -51.9136 -77.5617 11.0399 -1.71222 -54.1257 1.67454 -11.0428 TIMING: 1698000 CPU: 5368.78, 0.00314524/step Wall: 5368.78, 0.00314524/step, 2.88489 hours remaining, 236.355469 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: 1698000 3983.9059 20788.6937 14570.2272 252.4062 -203254.2789 2451.1865 0.0000 0.0000 51827.0997 -109380.7597 297.8511 -161207.8594 -109025.6566 299.5130 -278.9456 -250.7262 762192.5330 11.9731 11.7792 PRESSURE: 1698200 -42.1518 4.89334 10.742 4.89308 249.284 297.809 10.7416 297.809 -135.799 GPRESSURE: 1698200 -45.8802 129.629 -35.7778 -56.2382 243.254 408.853 116.254 167.516 -49.3742 PRESSAVG: 1698200 28.6094 -31.7818 -69.45 -31.7818 -13.6157 -4.20098 -69.45 -4.201 13.4297 GPRESSAVG: 1698200 29.9235 -30.2583 -70.1813 -31.7684 -15.1483 -3.1388 -67.9874 -3.88035 13.8731 TIMING: 1698200 CPU: 5369.41, 0.00313612/step Wall: 5369.41, 0.00313612/step, 2.87635 hours remaining, 236.355469 MB of memory in use. ENERGY: 1698200 4008.9989 20407.6041 14544.0134 248.9174 -203770.3336 2923.8792 0.0000 0.0000 52119.5469 -109517.3736 299.5318 -161636.9205 -109155.3597 298.9854 23.7778 49.3333 760559.4022 9.4745 9.5494 PRESSURE: 1698400 57.8835 177.075 -64.5552 177.075 160.054 -70.8907 -64.5549 -70.8906 -418.361 GPRESSURE: 1698400 137.624 70.4197 -33.9523 171.584 219.246 54.6924 35.7505 0.770448 -456.995 PRESSAVG: 1698400 15.6021 -32.8983 -21.3994 -32.8983 3.76834 -42.2883 -21.3994 -42.2883 25.4535 GPRESSAVG: 1698400 15.9735 -32.6173 -21.9494 -31.893 4.73448 -40.44 -22.1453 -45.4691 24.4543 TIMING: 1698400 CPU: 5370.03, 0.00313516/step Wall: 5370.03, 0.00313516/step, 2.87529 hours remaining, 236.355469 MB of memory in use. ENERGY: 1698400 3967.5034 20340.4590 14535.2563 236.3290 -203304.8349 2425.5466 0.0000 0.0000 52086.9082 -109712.8324 299.3442 -161799.7406 -109345.4862 298.6514 -66.8080 -33.3750 761897.5435 14.9413 15.0541 PRESSURE: 1698600 -5.58854 -9.99588 49.5572 -9.99607 60.136 15.6472 49.5573 15.6464 426.433 GPRESSURE: 1698600 58.2279 77.3414 75.5596 39.7438 134.503 -55.8486 36.1846 -11.0237 393.346 PRESSAVG: 1698600 -17.7132 46.0096 -9.51783 46.0095 4.38533 -17.1398 -9.5178 -17.1398 -18.3463 GPRESSAVG: 1698600 -19.0033 45.0297 -8.59092 45.6767 5.12939 -18.4517 -9.49171 -16.8501 -17.9421 TIMING: 1698600 CPU: 5370.66, 0.00314944/step Wall: 5370.66, 0.00314944/step, 2.88821 hours remaining, 236.355469 MB of memory in use. ENERGY: 1698600 3960.2627 20437.6184 14512.2124 230.5370 -203634.9062 2682.8913 0.0000 0.0000 52136.6775 -109674.7069 299.6302 -161811.3844 -109304.5326 298.5278 160.3269 195.3588 760639.1119 -10.5581 -10.6053 PRESSURE: 1698800 -74.3728 34.8617 111.223 34.8617 -252.998 -40.7884 111.223 -40.7888 -337.794 GPRESSURE: 1698800 -40.8165 85.819 114.163 47.6052 -210.218 -19.1239 101.98 -37.2907 -322.788 PRESSAVG: 1698800 6.26891 -50.3413 -37.3107 -50.3412 37.138 16.2981 -37.3106 16.2981 0.263633 GPRESSAVG: 1698800 7.81336 -48.7909 -37.0781 -50.1615 35.6373 15.9932 -38.6699 18.627 0.720787 TIMING: 1698800 CPU: 5371.3, 0.00320176/step Wall: 5371.3, 0.00320176/step, 2.93602 hours remaining, 236.355469 MB of memory in use. ENERGY: 1698800 3918.7030 20624.2344 14477.6731 254.3713 -203742.9167 2668.0819 0.0000 0.0000 51719.1930 -110080.6599 297.2309 -161799.8529 -109730.7688 298.0086 -221.7216 -191.2741 762269.1519 14.5569 14.7238 PRESSURE: 1699000 -73.883 20.7705 -132.061 20.7705 -346.195 28.0977 -132.062 28.098 -21.5066 GPRESSURE: 1699000 -114.026 8.12036 -62.1257 -51.3857 -241.65 -23.1855 -102.087 26.3585 -12.2835 PRESSAVG: 1699000 37.0416 -11.0807 29.4725 -11.0807 28.4208 75.1026 29.4725 75.1025 11.4865 GPRESSAVG: 1699000 36.3728 -12.0525 31.2324 -12.0286 29.2592 75.649 28.1821 73.0575 11.7939 TIMING: 1699000 CPU: 5371.93, 0.0031548/step Wall: 5371.93, 0.0031548/step, 2.89278 hours remaining, 236.355469 MB of memory in use. ENERGY: 1699000 3991.1541 20367.4831 14540.2570 245.2411 -203693.1094 2532.5887 0.0000 0.0000 51973.8625 -110042.5230 298.6945 -162016.3855 -109674.9401 298.1721 -147.1950 -122.6532 760510.5727 25.6496 25.8086 PRESSURE: 1699200 263.712 -206.468 353.336 -206.468 19.2759 133.28 353.336 133.28 -135.325 GPRESSURE: 1699200 177.325 -265.883 409.776 -178.63 147.096 142.61 290.544 178.924 -83.6923 PRESSAVG: 1699200 17.0065 -63.3019 2.1034 -63.302 -41.0413 71.8065 2.10342 71.8064 -9.0247 GPRESSAVG: 1699200 16.8251 -61.3071 0.185626 -64.4451 -40.5602 71.787 4.37414 70.8245 -8.93964 TIMING: 1699200 CPU: 5372.56, 0.00314809/step Wall: 5372.56, 0.00314809/step, 2.88645 hours remaining, 236.355469 MB of memory in use. ENERGY: 1699200 3917.4294 20527.1851 14588.4341 245.6312 -203841.3097 2706.7968 0.0000 0.0000 52036.1113 -109819.7219 299.0522 -161855.8331 -109462.9820 298.0300 49.2211 80.2428 760503.0061 -11.0198 -10.8916 PRESSURE: 1699400 213.352 66.9586 -18.0925 66.9589 -185.521 143.444 -18.0925 143.445 469.239 GPRESSURE: 1699400 245.433 -34.379 -55.6886 119.643 -113.836 111.248 36.2401 95.1702 453.366 PRESSAVG: 1699400 21.0274 26.711 -11.1573 26.711 -26.4615 11.1676 -11.1574 11.1677 11.0596 GPRESSAVG: 1699400 22.5709 26.7469 -12.603 27.5369 -26.9442 11.4799 -11.5843 12.3921 10.6499 TIMING: 1699400 CPU: 5373.2, 0.00316848/step Wall: 5373.2, 0.00316848/step, 2.90497 hours remaining, 236.355469 MB of memory in use. ENERGY: 1699400 3981.6544 20325.1313 14551.8365 225.7362 -203932.0962 3015.8750 0.0000 0.0000 52214.3316 -109617.5312 300.0765 -161831.8627 -109250.9470 298.4946 165.6900 194.9876 762193.3914 1.8751 2.0922 PRESSURE: 1699600 -217.074 -116.027 -159.996 -116.027 -88.7246 -210.986 -159.996 -210.985 -189.976 GPRESSURE: 1699600 -171.06 -65.8761 -129.29 -148.758 13.2872 -212.977 -147.896 0.219105 -263.487 PRESSAVG: 1699600 56.3459 -43.252 53.3692 -43.2521 -74.5182 8.92385 53.3692 8.92384 -5.24656 GPRESSAVG: 1699600 55.0371 -43.859 53.9822 -43.3508 -72.6604 7.57405 54.4796 11.4661 -5.71562 TIMING: 1699600 CPU: 5373.83, 0.00317057/step Wall: 5373.83, 0.00317057/step, 2.90671 hours remaining, 236.355469 MB of memory in use. ENERGY: 1699600 4031.2659 20404.6267 14556.2244 261.4420 -203732.0321 2934.0648 0.0000 0.0000 51764.7294 -109779.6788 297.4926 -161544.4083 -109417.6148 298.9127 -165.2579 -140.4200 760344.0197 -7.8063 -7.7797 PRESSURE: 1699800 135.283 -1.71537 -98.9565 -1.71618 -330.582 129.563 -98.9569 129.564 -30.2711 GPRESSURE: 1699800 158.91 -47.1943 -108.717 60.6662 -222.132 180.983 -133.793 227.948 -80.3429 PRESSAVG: 1699800 28.2292 -66.6854 47.9011 -66.6853 -11.3048 91.3178 47.9012 91.3179 29.258 GPRESSAVG: 1699800 28.3233 -69.4929 48.2967 -66.231 -12.1862 93.1002 46.1023 88.7083 29.9728 TIMING: 1699800 CPU: 5374.47, 0.00317045/step Wall: 5374.47, 0.00317045/step, 2.90642 hours remaining, 236.355469 MB of memory in use. ENERGY: 1699800 3991.6388 20527.9490 14447.5215 260.2322 -203763.0275 2762.2581 0.0000 0.0000 51889.9763 -109883.4515 298.2124 -161773.4278 -109523.4428 298.4112 -75.1901 -47.8550 761936.1885 15.3941 15.3700 WRITING COORDINATES TO DCD FILE MD.1.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: 1700000 26.0725 2.09133 -43.371 2.09093 -347.5 -32.7043 -43.3707 -32.7046 81.6412 GPRESSURE: 1700000 21.0246 24.8638 -81.4823 135.261 -110.543 -45.9365 90.6761 -122.186 -80.2248 PRESSAVG: 1700000 3.29481 -36.2657 23.1726 -36.2657 -6.8968 36.6723 23.1726 36.6723 -11.4474 GPRESSAVG: 1700000 3.56388 -35.0474 23.8314 -36.1844 -6.40596 35.1872 23.8365 37.0266 -13.2142 TIMING: 1700000 CPU: 5375.12, 0.00326902/step Wall: 5375.12, 0.00326902/step, 2.9966 hours remaining, 236.480469 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: 1700000 3949.2710 20544.4499 14547.6487 251.3956 -203691.7908 2682.8875 0.0000 0.0000 51992.4811 -109723.6569 298.8015 -161716.1380 -109372.2713 298.3101 -79.9288 -56.5811 762627.7888 -5.0165 -5.3521 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 PRESSURE: 1700200 -78.2606 -105.699 -1.49871 -105.699 -82.3261 -181.28 -1.49879 -181.28 -97.8079 GPRESSURE: 1700200 -29.067 -39.5742 -43.0553 -113.425 -87.304 -173.83 -61.7844 -107.261 -65.1481 PRESSAVG: 1700200 -5.55015 -41.1013 -1.59779 -41.1013 -52.9117 22.711 -1.59785 22.711 -16.9609 GPRESSAVG: 1700200 -6.32219 -39.9005 -2.53137 -41.9125 -53.2504 22.1001 -0.75604 25.2701 -15.9119 TIMING: 1700200 CPU: 5375.75, 0.00317706/step Wall: 5375.75, 0.00317706/step, 2.91213 hours remaining, 236.480469 MB of memory in use. ENERGY: 1700200 3972.7791 20481.5485 14553.7419 240.6684 -203379.7818 2435.5035 0.0000 0.0000 51739.6353 -109955.9051 297.3484 -161695.5404 -109602.6545 298.4401 -86.1315 -60.5064 761985.7242 -25.1409 -25.1615 LDB: ============= START OF LOAD BALANCING ============== 5388.29 LDB: ============== END OF LOAD BALANCING =============== 5388.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5388.29 LDB: ============= START OF LOAD BALANCING ============== 5388.61 LDB: Largest compute 7037 load 0.031123 is 15.9% of average load 0.195483 LDB: Average compute 0.004381 is 2.2% of average load 0.195483 LDB: TIME 5388.61 LOAD: AVG 0.195483 MAX 0.213695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.273 MB LDB: TIME 5388.61 LOAD: AVG 0.195483 MAX 0.213695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.477 MB LDB: TIME 5388.61 LOAD: AVG 0.195483 MAX 0.213695 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.477 MB LDB: ============== END OF LOAD BALANCING =============== 5388.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5388.62 PRESSURE: 1700400 77.1086 58.8371 -92.3266 58.837 -170.159 324.344 -92.3269 324.344 6.98895 GPRESSURE: 1700400 62.8325 11.2962 -47.8589 -49.9045 -92.626 213.797 -59.1496 287.107 34.2443 PRESSAVG: 1700400 -1.45801 -78.1882 50.2495 -78.1882 16.5468 6.22409 50.2496 6.22403 18.7974 GPRESSAVG: 1700400 -1.32291 -79.9468 51.3454 -77.5649 15.9426 6.83258 49.1236 5.40266 19.1662 TIMING: 1700400 CPU: 5376.4, 0.00324185/step Wall: 5376.4, 0.00324185/step, 2.97134 hours remaining, 235.625000 MB of memory in use. ENERGY: 1700400 3888.2108 20513.7411 14487.5802 245.2528 -203650.8345 2730.8076 0.0000 0.0000 52171.4383 -109613.8037 299.8300 -161785.2420 -109257.9240 298.7809 -28.6872 1.4836 760619.9809 11.2954 11.2620 PRESSURE: 1700600 -67.9049 7.57881 202.879 7.57892 -145.048 0.527829 202.879 0.52875 -418.925 GPRESSURE: 1700600 29.8678 32.5313 202.069 -59.1497 -176.226 -32.2369 156.012 -32.4205 -399.974 PRESSAVG: 1700600 40.0108 -18.7076 -25.8321 -18.7076 -18.1976 75.0177 -25.8321 75.0178 10.4774 GPRESSAVG: 1700600 41.4287 -18.5263 -27.35 -16.6928 -18.4989 74.8879 -25.1276 74.3673 9.629 TIMING: 1700600 CPU: 5377.04, 0.00317349/step Wall: 5377.04, 0.00317349/step, 2.9085 hours remaining, 236.359375 MB of memory in use. ENERGY: 1700600 4073.5816 20423.5995 14451.3576 262.7432 -203319.7647 2625.7424 0.0000 0.0000 52107.9542 -109374.7861 299.4651 -161482.7403 -109014.2454 298.6999 -210.6261 -182.1107 762453.0471 10.7636 10.8529 PRESSURE: 1700800 119.3 -76.8694 -103.841 -76.8691 63.0223 -216.635 -103.841 -216.636 -17.2694 GPRESSURE: 1700800 97.2068 -31.3421 -86.7778 -21.1348 145.368 -170.071 -78.3824 -97.3954 0.54217 PRESSAVG: 1700800 84.8651 -7.20141 -33.5582 -7.20144 -47.5265 17.5265 -33.5583 17.5265 26.4204 GPRESSAVG: 1700800 85.0363 -8.39341 -32.6958 -7.45947 -47.6752 17.4049 -32.721 18.8681 26.9502 TIMING: 1700800 CPU: 5377.67, 0.00317464/step Wall: 5377.67, 0.00317464/step, 2.90938 hours remaining, 236.429688 MB of memory in use. ENERGY: 1700800 3987.3000 20564.3980 14492.0377 263.2324 -203334.6895 2597.8528 0.0000 0.0000 51919.2098 -109510.6589 298.3804 -161429.8686 -109161.2777 299.1069 55.0175 81.0389 761048.3221 21.2530 21.4371 PRESSURE: 1701000 35.7316 55.4117 40.1881 55.4114 263.941 -64.7534 40.1874 -64.7535 158.504 GPRESSURE: 1701000 121.202 40.5695 -22.5136 66.9362 298.239 25.7309 37.0397 -15.8275 120.024 PRESSAVG: 1701000 36.2396 -33.6812 4.59723 -33.6811 7.65787 -14.1339 4.59724 -14.1338 -6.46375 GPRESSAVG: 1701000 35.5388 -33.1677 3.74192 -34.4073 8.66112 -14.084 4.03144 -15.9167 -6.70904 TIMING: 1701000 CPU: 5378.31, 0.00316636/step Wall: 5378.31, 0.00316636/step, 2.90161 hours remaining, 236.429688 MB of memory in use. ENERGY: 1701000 3950.8587 20499.0322 14491.1272 256.3209 -203786.7295 3084.7253 0.0000 0.0000 51910.8849 -109593.7802 298.3326 -161504.6651 -109225.8889 298.3342 152.7254 179.8217 761057.0934 12.4779 12.4969 PRESSURE: 1701200 371.525 11.087 36.164 11.0876 -308.21 -24.1329 36.1632 -24.1332 -106.293 GPRESSURE: 1701200 400.397 1.87794 -17.6739 -53.7087 -291.608 2.17911 106.543 -81.924 -53.3802 PRESSAVG: 1701200 38.9156 -0.0955027 16.4475 -0.0955664 -33.8118 29.2389 16.4475 29.2389 12.2407 GPRESSAVG: 1701200 38.362 1.1714 16.5747 -1.39478 -34.4852 30.241 16.2301 28.9372 13.1739 TIMING: 1701200 CPU: 5378.94, 0.00318521/step Wall: 5378.94, 0.00318521/step, 2.91871 hours remaining, 236.429688 MB of memory in use. ENERGY: 1701200 3973.6845 20518.0933 14528.2618 258.2371 -203353.3869 2917.9160 0.0000 0.0000 51871.1412 -109286.0530 298.1042 -161157.1942 -108936.5358 298.9708 -14.3259 18.4696 762110.2500 5.7815 5.6836 PRESSURE: 1701400 -110.4 -361.441 -158.94 -361.441 -27.2412 139.973 -158.939 139.972 70.9874 GPRESSURE: 1701400 -40.1116 -245.763 -101.897 -406.07 9.42287 79.3626 -107.476 306.615 43.1817 PRESSAVG: 1701400 7.77692 -7.67042 3.02387 -7.67044 37.859 34.577 3.02385 34.577 -5.15211 GPRESSAVG: 1701400 8.45302 -6.8655 3.14091 -7.57721 37.7136 33.795 1.2887 35.5496 -5.59176 TIMING: 1701400 CPU: 5379.58, 0.00316551/step Wall: 5379.58, 0.00316551/step, 2.90049 hours remaining, 236.429688 MB of memory in use. ENERGY: 1701400 4047.8620 20348.7872 14569.7127 250.9037 -202933.3707 2633.7641 0.0000 0.0000 51948.4909 -109133.8501 298.5487 -161082.3411 -108768.3076 299.4066 -22.2179 4.1643 760957.8196 13.4946 13.5250 PRESSURE: 1701600 -280.601 -210.47 -110.817 -210.47 -493.816 -149.92 -110.816 -149.92 -543.198 GPRESSURE: 1701600 -340.571 -250.546 -107.971 -282.93 -460.778 -236.291 -105.99 -49.1788 -435.281 PRESSAVG: 1701600 -20.6898 -10.8256 7.71243 -10.8256 41.1125 56.1721 7.71242 56.1721 -6.92215 GPRESSAVG: 1701600 -20.3804 -11.1524 7.70107 -10.8943 40.7557 56.2165 10.913 57.1649 -6.74732 TIMING: 1701600 CPU: 5380.21, 0.0031694/step Wall: 5380.21, 0.0031694/step, 2.90387 hours remaining, 236.429688 MB of memory in use. ENERGY: 1701600 4022.9415 20474.0340 14490.3732 244.7345 -202471.3800 2219.9603 0.0000 0.0000 51676.4206 -109342.9160 296.9851 -161019.3366 -108985.7031 298.7207 -439.2050 -412.2100 761428.6826 4.5002 4.5426 PRESSURE: 1701800 -53.889 -24.4107 -180.349 -24.41 -265.33 -0.870541 -180.349 -0.87046 -97.3837 GPRESSURE: 1701800 -141.002 90.9838 -230.873 -6.8356 -133.825 38.7914 -283.94 -26.8452 -79.0402 PRESSAVG: 1701800 -31.3051 -42.2431 -22.6455 -42.2431 69.0137 81.5748 -22.6454 81.5749 -1.9549 GPRESSAVG: 1701800 -32.4627 -43.2759 -20.2091 -40.8203 70.0215 81.4809 -24.6648 81.0801 -1.64625 TIMING: 1701800 CPU: 5380.85, 0.00318674/step Wall: 5380.85, 0.00318674/step, 2.91958 hours remaining, 236.429688 MB of memory in use. ENERGY: 1701800 3990.5139 20443.6553 14494.4594 251.2976 -203006.0350 2478.5325 0.0000 0.0000 52001.0185 -109346.5578 298.8506 -161347.5763 -108989.2865 299.0639 -138.8677 -117.9557 761858.8007 11.9179 11.9709 PRESSURE: 1702000 138.609 -16.4276 -83.8485 -16.4279 131.234 26.8674 -83.8496 26.8668 -35.6647 GPRESSURE: 1702000 189.991 4.21143 -114.122 -73.5069 153.935 -24.379 -108.896 20.3516 -22.1342 PRESSAVG: 1702000 -11.1967 6.36162 21.9274 6.36154 -36.9171 3.0696 21.9273 3.06956 11.6856 GPRESSAVG: 1702000 -10.6839 8.9446 19.3461 5.97784 -37.3083 4.20896 21.8267 0.964492 11.3244 TIMING: 1702000 CPU: 5381.48, 0.00316097/step Wall: 5381.48, 0.00316097/step, 2.8958 hours remaining, 236.429688 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: 1702000 3925.9572 20520.7720 14457.1793 248.9879 -203848.9003 3062.9566 0.0000 0.0000 52006.8589 -109626.1884 298.8841 -161633.0473 -109258.0549 298.7469 78.0594 107.2641 759284.9982 -12.1427 -12.2226 PRESSURE: 1702200 -296.171 -62.4686 -33.7105 -62.4689 -109.055 67.2103 -33.7113 67.2105 35.1004 GPRESSURE: 1702200 -236.751 -71.9182 -80.2418 -78.3649 -92.4642 91.2252 -84.4697 232.813 40.3095 PRESSAVG: 1702200 4.95263 -26.3333 69.381 -26.3333 -12.4928 -5.18648 69.381 -5.18634 -12.4755 GPRESSAVG: 1702200 4.8171 -26.8324 70.0836 -25.8872 -12.1624 -5.41125 69.843 -2.74198 -12.2895 TIMING: 1702200 CPU: 5382.11, 0.00317558/step Wall: 5382.11, 0.00317558/step, 2.909 hours remaining, 236.429688 MB of memory in use. ENERGY: 1702200 4025.8675 20340.1859 14399.0305 244.0374 -203323.8021 2749.8346 0.0000 0.0000 52113.6044 -109451.2418 299.4976 -161564.8462 -109079.6139 299.2832 -123.3752 -96.3020 761968.9628 -6.6719 -6.5449 PRESSURE: 1702400 192.886 -95.9216 -191.388 -95.9215 -133.599 6.00068 -191.388 6.00131 -8.77832 GPRESSURE: 1702400 181.901 -97.1458 -214.647 -61.3327 -58.1098 45.6379 -277.294 36.5076 -17.5405 PRESSAVG: 1702400 35.0938 -5.85984 -17.7337 -5.85982 5.0719 50.3289 -17.7336 50.329 -23.394 GPRESSAVG: 1702400 35.9915 -6.95743 -19.8836 -5.7223 4.61921 51.0754 -17.7284 49.6649 -24.0109 TIMING: 1702400 CPU: 5382.75, 0.00315921/step Wall: 5382.75, 0.00315921/step, 2.89384 hours remaining, 236.429688 MB of memory in use. ENERGY: 1702400 3918.5407 20386.2326 14517.7431 257.0013 -203277.0474 2642.2507 0.0000 0.0000 52134.5905 -109420.6883 299.6182 -161555.2788 -109052.3819 299.3089 16.8360 35.4170 760195.0300 5.5906 5.5333 PRESSURE: 1702600 -313.329 -101.008 127.391 -101.008 -592.56 181.697 127.391 181.696 12.7337 GPRESSURE: 1702600 -314.497 -104.082 99.2857 -102.516 -598.554 188.233 165.288 161.928 97.3076 PRESSAVG: 1702600 11.7092 -3.71249 -2.29388 -3.71252 15.2963 7.46676 -2.29386 7.46682 -12.2791 GPRESSAVG: 1702600 10.6905 -4.52401 -1.22202 -4.36259 15.0285 5.77283 -3.84921 7.26489 -10.8261 TIMING: 1702600 CPU: 5383.38, 0.00316464/step Wall: 5383.38, 0.00316464/step, 2.89864 hours remaining, 236.429688 MB of memory in use. ENERGY: 1702600 3954.9190 20382.5067 14567.2486 244.0624 -202702.2283 2174.8686 0.0000 0.0000 52026.5514 -109352.0716 298.9973 -161378.6230 -108988.3777 299.0366 -297.7182 -271.9143 761716.0004 4.9088 4.9643 PRESSURE: 1702800 -58.512 -171.463 94.7645 -171.463 -2.88466 -183.082 94.7634 -183.082 185.265 GPRESSURE: 1702800 57.0253 -130.97 92.0259 -44.8928 -26.3914 -172.507 75.9543 -181.535 198.352 PRESSAVG: 1702800 33.2899 -47.0144 -26.7746 -47.0144 -44.5604 -70.7896 -26.7746 -70.7897 3.2318 GPRESSAVG: 1702800 32.4961 -44.8062 -26.5317 -46.5272 -43.515 -70.3482 -25.9301 -70.2352 3.0105 TIMING: 1702800 CPU: 5384.01, 0.00317243/step Wall: 5384.01, 0.00317243/step, 2.9056 hours remaining, 236.429688 MB of memory in use. ENERGY: 1702800 4017.3001 20369.5469 14433.3321 255.7053 -203157.8641 2720.7955 0.0000 0.0000 52129.9894 -109231.1948 299.5918 -161361.1842 -108865.1657 299.4462 41.2893 76.3286 760374.9649 -2.6796 -2.6695 PRESSURE: 1703000 -191.513 69.4844 -106.672 69.4843 -336.036 -21.9756 -106.673 -21.9751 -167.924 GPRESSURE: 1703000 -18.6894 90.6669 -160.833 63.5531 -324.407 -72.9967 -93.8012 -77.6626 -276.513 PRESSAVG: 1703000 65.1538 -26.7239 -44.3979 -26.7239 -57.4343 20.9007 -44.398 20.9008 15.4104 GPRESSAVG: 1703000 66.2971 -28.0651 -45.2638 -25.963 -57.8514 21.1984 -43.584 20.9244 14.4213 TIMING: 1703000 CPU: 5384.64, 0.00315378/step Wall: 5384.64, 0.00315378/step, 2.88834 hours remaining, 236.429688 MB of memory in use. ENERGY: 1703000 3962.9060 20357.6943 14532.1232 252.9896 -203270.3164 2750.9972 0.0000 0.0000 52217.2671 -109196.3392 300.0934 -161413.6062 -108828.0407 299.6924 -231.8242 -206.5366 763437.6598 7.7100 7.6223 PRESSURE: 1703200 -100.399 85.6411 91.6781 85.641 -144.506 106.083 91.6775 106.082 -43.2131 GPRESSURE: 1703200 -47.5957 46.359 -24.549 144.495 -224.862 191.355 180.458 72.7421 63.8501 PRESSAVG: 1703200 22.6122 80.4429 -63.8184 80.4429 -23.7923 35.0355 -63.8185 35.0355 3.77382 GPRESSAVG: 1703200 21.7795 80.9479 -63.7649 79.8037 -25.2194 34.277 -63.2574 35.7933 5.77618 TIMING: 1703200 CPU: 5385.28, 0.00315413/step Wall: 5385.28, 0.00315413/step, 2.88848 hours remaining, 236.429688 MB of memory in use. ENERGY: 1703200 3929.6912 20437.8845 14527.8827 245.8446 -202791.5771 2375.5976 0.0000 0.0000 51994.4952 -109280.1813 298.8131 -161274.6765 -108917.3542 299.6271 -96.0395 -69.5360 762520.8198 0.8646 0.7787 PRESSURE: 1703400 221.785 111.367 -178.397 111.368 -45.358 -181.972 -178.397 -181.973 -116.316 GPRESSURE: 1703400 234.472 99.0953 -149.281 120.486 19.1165 -176.75 -29.5247 -139.315 -103.286 PRESSAVG: 1703400 56.9178 43.1543 7.17154 43.1543 -10.015 43.7883 7.17155 43.7883 -24.2414 GPRESSAVG: 1703400 58.0314 42.9499 7.98756 42.9009 -9.77582 43.4933 7.99866 43.0251 -25.6099 TIMING: 1703400 CPU: 5385.91, 0.00315996/step Wall: 5385.91, 0.00315996/step, 2.89364 hours remaining, 236.429688 MB of memory in use. ENERGY: 1703400 3953.1092 20476.7548 14454.8133 235.0811 -203030.1163 2604.0307 0.0000 0.0000 52106.0000 -109200.3270 299.4539 -161306.3270 -108839.6538 299.1219 20.0370 50.1007 762028.0576 7.5538 7.5486 PRESSURE: 1703600 -230.05 292.707 45.1796 292.708 -338.826 -103.828 45.18 -103.828 -228.201 GPRESSURE: 1703600 -208.912 229.456 96.7893 285.565 -345.506 -33.07 79.984 -145.903 -164.483 PRESSAVG: 1703600 6.75272 6.73737 22.1306 6.7374 11.9646 -0.480979 22.1306 -0.480985 -14.1428 GPRESSAVG: 1703600 7.10307 5.83697 23.7937 7.34555 11.8153 -1.01227 20.9645 0.155264 -14.8299 TIMING: 1703600 CPU: 5386.54, 0.00316081/step Wall: 5386.54, 0.00316081/step, 2.89425 hours remaining, 236.429688 MB of memory in use. ENERGY: 1703600 3982.6009 20437.1252 14545.5197 234.9295 -202465.6170 2260.3650 0.0000 0.0000 52173.5540 -108831.5228 299.8421 -161005.0768 -108465.7135 299.8512 -265.6922 -239.6336 764334.2173 1.5248 1.3628 PRESSURE: 1703800 -40.7963 92.5457 -79.2398 92.546 -57.0066 -172.537 -79.2404 -172.537 -24.6631 GPRESSURE: 1703800 -5.73304 103.097 -153.923 42.874 20.5752 -76.9555 10.483 -167.251 -53.5095 PRESSAVG: 1703800 -2.93522 41.9322 -37.9178 41.9322 43.229 4.62394 -37.9179 4.62381 -5.82832 GPRESSAVG: 1703800 -3.11214 45.0768 -39.2512 39.9072 43.4823 4.76794 -36.0809 3.33757 -5.53217 TIMING: 1703800 CPU: 5387.17, 0.00313025/step Wall: 5387.17, 0.00313025/step, 2.86609 hours remaining, 236.429688 MB of memory in use. ENERGY: 1703800 4033.7755 20388.0802 14505.6869 251.7900 -203078.7007 2850.8872 0.0000 0.0000 52154.1472 -108894.3337 299.7306 -161048.4808 -108523.5651 299.5736 -40.8220 -12.8891 761563.4738 11.4885 11.6127 PRESSURE: 1704000 -252.48 219.895 -188.492 219.894 -237.271 31.5754 -188.49 31.5756 33.0368 GPRESSURE: 1704000 -146.959 110.019 -92.1388 265.525 -274.253 44.8986 -302.467 161.706 22.5427 PRESSAVG: 1704000 29.934 17.6799 -20.9217 17.6799 -43.5147 -57.9814 -20.9217 -57.9814 -35.8512 GPRESSAVG: 1704000 30.5486 13.8733 -20.4146 19.0718 -44.3968 -56.8494 -22.2376 -56.9304 -35.8597 TIMING: 1704000 CPU: 5387.79, 0.00314153/step Wall: 5387.79, 0.00314153/step, 2.87625 hours remaining, 236.429688 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: 1704000 4077.0507 20558.9907 14582.4884 233.0875 -203495.3145 2991.6847 0.0000 0.0000 51987.6196 -109064.3929 298.7736 -161052.0125 -108701.1582 299.6469 -152.2383 -132.8895 762972.7544 -16.4773 -16.5693 PRESSURE: 1704200 -156.989 -55.1857 -21.3613 -55.1861 -65.3887 100.786 -21.3613 100.785 11.1477 GPRESSURE: 1704200 -47.6792 9.34947 -12.5738 -90.4564 -64.7178 137.024 -69.9036 87.3869 -28.7553 PRESSAVG: 1704200 3.21451 -29.2799 -96.494 -29.2799 -10.0912 -3.15808 -96.4941 -3.1581 0.776865 GPRESSAVG: 1704200 1.6769 -28.3545 -94.66 -30.0346 -8.49403 -3.91412 -99.0901 -2.4594 1.0463 TIMING: 1704200 CPU: 5388.42, 0.00314226/step Wall: 5388.42, 0.00314226/step, 2.87674 hours remaining, 236.429688 MB of memory in use. ENERGY: 1704200 4007.4307 20643.0855 14562.0739 253.0238 -203175.4324 2913.9082 0.0000 0.0000 51801.8343 -108994.0760 297.7059 -160795.9103 -108637.3714 299.4705 -70.4101 -47.0508 764079.3556 -2.0333 -1.9236 LDB: ============= START OF LOAD BALANCING ============== 5400.95 LDB: ============== END OF LOAD BALANCING =============== 5400.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5400.96 LDB: ============= START OF LOAD BALANCING ============== 5401.27 LDB: Largest compute 7070 load 0.031401 is 16.1% of average load 0.195509 LDB: Average compute 0.004369 is 2.2% of average load 0.195509 LDB: TIME 5401.27 LOAD: AVG 0.195509 MAX 0.215223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 5401.27 LOAD: AVG 0.195509 MAX 0.215223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: TIME 5401.27 LOAD: AVG 0.195509 MAX 0.215223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: ============== END OF LOAD BALANCING =============== 5401.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5401.28 PRESSURE: 1704400 37.4266 -248.134 -89.3618 -248.135 36.8132 97.0959 -89.3611 97.0963 398.928 GPRESSURE: 1704400 25.1169 -239.473 -60.3852 -185.567 118.801 107.807 11.9888 106.009 428.37 PRESSAVG: 1704400 72.0713 4.37336 4.83467 4.37336 -77.6597 44.0066 4.83466 44.0065 1.77657 GPRESSAVG: 1704400 72.7459 3.87698 4.21119 4.50712 -78.4768 45.7888 6.21881 41.5528 2.40416 TIMING: 1704400 CPU: 5389.07, 0.00321239/step Wall: 5389.07, 0.00321239/step, 2.94077 hours remaining, 235.652344 MB of memory in use. ENERGY: 1704400 3882.1630 20607.3886 14577.4990 259.7340 -203171.4787 2603.0565 0.0000 0.0000 52065.4365 -109176.2010 299.2208 -161241.6375 -108810.6582 299.3146 157.7226 190.7625 762780.9464 -1.2706 -1.1089 PRESSURE: 1704600 421.002 85.2091 -332.416 85.2095 -75.6602 72.9364 -332.416 72.9364 338.808 GPRESSURE: 1704600 342.792 -99.1743 -266.708 76.767 2.81434 9.73301 -211.507 -18.3384 408.381 PRESSAVG: 1704600 -3.77612 -20.3643 -54.7605 -20.3643 10.1284 4.2628 -54.7605 4.26271 -11.9408 GPRESSAVG: 1704600 -4.89418 -19.2443 -56.7615 -17.8412 11.6825 4.22517 -54.3543 5.15291 -12.8947 TIMING: 1704600 CPU: 5389.69, 0.0031468/step Wall: 5389.69, 0.0031468/step, 2.88054 hours remaining, 235.722656 MB of memory in use. ENERGY: 1704600 3899.4793 20622.2574 14478.1241 243.8894 -203416.1184 2978.3662 0.0000 0.0000 51821.6116 -109372.3904 297.8195 -161194.0020 -109015.4451 298.5391 228.0497 251.3292 763860.5895 -1.8629 -2.0355 PRESSURE: 1704800 13.6407 127.32 62.5219 127.321 -29.4096 -53.1584 62.5212 -53.1577 453.946 GPRESSURE: 1704800 63.9929 96.1883 110.336 128.682 -28.0616 -77.4863 95.5514 -44.3234 473.683 PRESSAVG: 1704800 21.4604 12.3773 2.2434 12.3774 -2.03182 34.0954 2.24334 34.0955 2.85606 GPRESSAVG: 1704800 22.9877 13.9019 3.99206 10.7374 -3.76459 32.6291 2.38595 34.7002 2.67308 TIMING: 1704800 CPU: 5390.32, 0.0031491/step Wall: 5390.32, 0.0031491/step, 2.88248 hours remaining, 235.722656 MB of memory in use. ENERGY: 1704800 3958.9449 20599.9191 14483.4650 237.6679 -203274.7249 2664.5056 0.0000 0.0000 51954.0344 -109376.1880 298.5805 -161330.2223 -109011.5164 299.1047 146.0592 169.8713 763193.1325 7.4282 7.2987 PRESSURE: 1705000 178.172 -98.5914 -15.2163 -98.5916 -550.744 -107.69 -15.2177 -107.69 19.5737 GPRESSURE: 1705000 90.4156 -0.272002 21.5 -159.665 -394.732 -128.71 -68.3828 21.3175 35.9067 PRESSAVG: 1705000 69.7048 -21.3431 -17.7474 -21.3432 -83.2682 -26.2528 -17.7473 -26.2528 -0.830183 GPRESSAVG: 1705000 67.6301 -23.6498 -17.5941 -21.7138 -82.1215 -26.3888 -17.6242 -25.3356 -0.148429 TIMING: 1705000 CPU: 5390.95, 0.0031508/step Wall: 5390.95, 0.0031508/step, 2.88386 hours remaining, 235.722656 MB of memory in use. ENERGY: 1705000 3952.5976 20641.3651 14552.3088 244.9296 -203342.5538 2683.9667 0.0000 0.0000 51910.9225 -109356.4637 298.3328 -161267.3861 -108991.9180 298.8073 -117.6661 -89.4697 762918.6491 -4.7978 -4.8800 PRESSURE: 1705200 -243.775 -162.814 -101.515 -162.815 -322.776 -13.0699 -101.516 -13.0684 236.639 GPRESSURE: 1705200 -89.8557 -216.41 -275.114 -135.824 -397.272 -8.04672 37.8905 37.2905 243.438 PRESSAVG: 1705200 48.1418 -60.3708 -13.4209 -60.3709 2.93532 -2.47363 -13.4209 -2.47367 19.5548 GPRESSAVG: 1705200 49.6269 -60.7369 -15.2601 -61.1266 2.68044 -2.19918 -14.5564 -1.841 18.4017 TIMING: 1705200 CPU: 5391.58, 0.00313187/step Wall: 5391.58, 0.00313187/step, 2.86636 hours remaining, 235.722656 MB of memory in use. ENERGY: 1705200 4006.3836 20489.6598 14590.9771 225.4079 -203443.3641 2696.3070 0.0000 0.0000 52155.4860 -109279.1427 299.7383 -161434.6287 -108908.8899 299.4301 -109.9706 -81.2298 759863.3443 23.5440 23.5697 PRESSURE: 1705400 -34.9801 326.567 -19.2873 326.567 461.499 266.42 -19.2868 266.419 359.624 GPRESSURE: 1705400 106.245 277.762 37.6188 378.287 467.899 204.226 -70.0229 175.798 291.797 PRESSAVG: 1705400 -40.0223 -63.5554 27.5143 -63.5555 38.3174 12.6471 27.5142 12.6471 14.5852 GPRESSAVG: 1705400 -40.0468 -61.8232 29.6069 -62.7304 37.2812 11.7745 27.8106 12.5135 15.8725 TIMING: 1705400 CPU: 5392.21, 0.00313205/step Wall: 5392.21, 0.00313205/step, 2.86634 hours remaining, 235.722656 MB of memory in use. ENERGY: 1705400 3922.7485 20587.8267 14484.6443 248.6420 -203334.1329 2697.8625 0.0000 0.0000 52153.1589 -109239.2501 299.7249 -161392.4090 -108878.8319 298.8287 262.0476 288.6469 760254.7121 4.2934 4.3690 PRESSURE: 1705600 44.3339 32.7089 -93.7616 32.7081 -146.336 133.791 -93.7619 133.79 -529.234 GPRESSURE: 1705600 63.1865 50.3722 13.9279 29.2562 -129.041 73.6083 -91.1645 10.5659 -483.093 PRESSAVG: 1705600 7.10639 -23.0276 -37.524 -23.0276 -1.55382 13.1931 -37.524 13.1931 -11.5122 GPRESSAVG: 1705600 6.5727 -23.5802 -38.2787 -22.4073 -1.29466 15.2693 -35.3179 10.5864 -11.3624 TIMING: 1705600 CPU: 5392.83, 0.00312612/step Wall: 5392.83, 0.00312612/step, 2.86075 hours remaining, 235.722656 MB of memory in use. ENERGY: 1705600 4084.7644 20482.9639 14597.6021 245.1989 -203367.5003 2767.1743 0.0000 0.0000 52162.1348 -109027.6620 299.7765 -161189.7967 -108668.3000 299.9810 -210.4121 -182.9826 760830.1453 -1.9866 -2.0281 PRESSURE: 1705800 -280.41 -92.7939 -114.792 -92.7941 -189.564 -81.7551 -114.793 -81.7545 -87.8896 GPRESSURE: 1705800 -205.842 -151.605 -206.384 -141.319 -141.255 -90.7103 -182.367 -44.292 -131.894 PRESSAVG: 1705800 37.6212 -47.9644 -27.8424 -47.9644 2.72295 12.2154 -27.8424 12.2155 1.4042 GPRESSAVG: 1705800 39.0816 -49.0483 -27.7974 -48.9416 1.97732 12.6968 -30.7522 12.5472 0.722581 TIMING: 1705800 CPU: 5393.47, 0.0031657/step Wall: 5393.47, 0.0031657/step, 2.89679 hours remaining, 235.722656 MB of memory in use. ENERGY: 1705800 4026.4562 20570.7223 14522.9201 250.3371 -202848.5808 2326.9081 0.0000 0.0000 52198.9918 -108952.2451 299.9883 -161151.2369 -108597.1117 300.1879 -185.9548 -159.6638 762606.7069 13.9161 13.9272 PRESSURE: 1706000 151.716 -103.243 -417.995 -103.243 -112.596 -44.9732 -417.995 -44.974 -314.195 GPRESSURE: 1706000 177.99 -173.452 -452.597 -81.3272 -56.6323 -56.5207 -389.483 -31.648 -315.978 PRESSAVG: 1706000 78.3675 -3.85449 -32.8193 -3.85448 -72.2033 -66.1924 -32.8193 -66.1924 -0.241976 GPRESSAVG: 1706000 77.4942 -3.69119 -32.6338 -5.23129 -71.2253 -67.4442 -31.6182 -64.4224 -0.463596 TIMING: 1706000 CPU: 5394.09, 0.00313196/step Wall: 5394.09, 0.00313196/step, 2.86575 hours remaining, 235.722656 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: 1706000 3995.4032 20422.4853 14513.9673 245.8659 -202957.5478 2588.2220 0.0000 0.0000 52222.2841 -108969.3200 300.1222 -161191.6041 -108608.4225 299.9298 -91.6914 -64.8735 761526.9722 1.9741 1.9351 PRESSURE: 1706200 -50.135 138.923 -54.1679 138.922 -174.727 238.104 -54.1676 238.104 -234.137 GPRESSURE: 1706200 51.1633 64.7375 -95.3697 179.255 -246.84 108.2 52.3218 195.183 -176.23 PRESSAVG: 1706200 24.7346 -8.42081 -60.8665 -8.42091 -16.4934 25.2189 -60.8665 25.219 -16.7494 GPRESSAVG: 1706200 25.0711 -8.50224 -62.1977 -6.09435 -16.6003 24.4226 -59.9198 24.6551 -16.6379 TIMING: 1706200 CPU: 5394.72, 0.00313107/step Wall: 5394.72, 0.00313107/step, 2.86475 hours remaining, 235.722656 MB of memory in use. ENERGY: 1706200 3985.5418 20704.0234 14543.8021 253.0049 -202981.3768 2571.7554 0.0000 0.0000 51978.9494 -108944.2999 298.7237 -160923.2493 -108584.5030 299.6197 -152.9997 -123.9688 762867.8243 -2.8361 -2.7223 PRESSURE: 1706400 -261.676 -204.326 -116.632 -204.326 260.331 -50.2553 -116.632 -50.2553 161.982 GPRESSURE: 1706400 -198.761 -67.3805 -106.451 -207.089 222.895 -103.749 -190.54 -62.9389 208.742 PRESSAVG: 1706400 78.2162 1.97729 6.43675 1.97732 -72.6755 -28.0039 6.43673 -28.0039 4.0405 GPRESSAVG: 1706400 77.5416 2.03596 7.58444 2.84683 -72.4856 -26.4114 6.74191 -28.2404 4.22735 TIMING: 1706400 CPU: 5395.35, 0.0031633/step Wall: 5395.35, 0.0031633/step, 2.89406 hours remaining, 235.722656 MB of memory in use. ENERGY: 1706400 3978.4977 20527.7754 14559.3039 256.0251 -203238.5305 2914.3566 0.0000 0.0000 51990.6876 -109011.8842 298.7912 -161002.5718 -108652.4345 299.8421 53.5459 77.6256 761493.2032 3.1937 3.0944 PRESSURE: 1706600 -139.142 -208.711 -1.85664 -208.711 -279.535 66.2164 -1.85694 66.2159 68.038 GPRESSURE: 1706600 -111.526 -204.747 -36.3023 -134.711 -246.857 87.1838 -139.678 35.1894 106.434 PRESSAVG: 1706600 -52.9329 20.6818 -32.804 20.6818 -24.082 -71.0192 -32.804 -71.0192 -0.0867108 GPRESSAVG: 1706600 -53.3567 21.2311 -35.3517 19.2719 -23.5988 -72.5488 -33.5834 -70.8827 0.15422 TIMING: 1706600 CPU: 5395.99, 0.00317104/step Wall: 5395.99, 0.00317104/step, 2.90097 hours remaining, 235.722656 MB of memory in use. ENERGY: 1706600 4057.7026 20478.9640 14473.2840 249.1865 -203040.5503 2530.4924 0.0000 0.0000 52195.3944 -109055.5264 299.9676 -161250.9208 -108702.5481 299.5100 -116.8796 -83.9830 762853.5856 -25.7005 -25.6004 PRESSURE: 1706800 -210.976 48.409 -15.2626 48.4095 -522.412 -21.6703 -15.2621 -21.6714 40.5543 GPRESSURE: 1706800 -216.665 189.556 -52.1905 31.5707 -370.641 22.56 25.1406 -25.8139 -33.5245 PRESSAVG: 1706800 36.3849 -13.1689 5.12885 -13.1689 -18.6769 -14.8387 5.12891 -14.8388 -6.74377 GPRESSAVG: 1706800 36.3682 -12.7912 7.35784 -12.9006 -19.0285 -16.215 2.73483 -13.7514 -6.31487 TIMING: 1706800 CPU: 5396.62, 0.00316094/step Wall: 5396.62, 0.00316094/step, 2.89156 hours remaining, 235.722656 MB of memory in use. ENERGY: 1706800 4106.3023 20495.6917 14484.5404 255.0264 -203232.1344 2742.7723 0.0000 0.0000 52272.2810 -108875.5203 300.4095 -161147.8013 -108504.5839 299.6692 -230.9443 -206.9435 762275.3066 3.6547 3.6749 PRESSURE: 1707000 -80.8091 -72.0665 380.501 -72.0661 -263.045 -89.2144 380.502 -89.2159 389.893 GPRESSURE: 1707000 38.2065 -28.2782 420.732 43.4595 -302.338 -127.251 334.545 -14.9998 386.03 PRESSAVG: 1707000 -3.03398 29.153 -13.6095 29.153 -9.64134 -32.8742 -13.6096 -32.8742 -3.28672 GPRESSAVG: 1707000 -0.983039 28.5405 -13.7623 29.6034 -10.6219 -32.1932 -13.773 -31.5395 -4.61006 TIMING: 1707000 CPU: 5397.25, 0.00316219/step Wall: 5397.25, 0.00316219/step, 2.89253 hours remaining, 235.722656 MB of memory in use. ENERGY: 1707000 4098.0696 20538.1958 14510.1930 240.9810 -202537.1741 2246.6756 0.0000 0.0000 52055.1105 -108847.9485 299.1614 -160903.0590 -108496.0930 300.1859 15.3463 40.6327 764225.3307 -5.3207 -5.4050 PRESSURE: 1707200 328.878 104.794 -59.1363 104.794 92.1302 -80.0315 -59.136 -80.0309 369.066 GPRESSURE: 1707200 407.684 54.6293 -50.7621 181.697 107.301 41.9377 -84.9938 -164.965 373.822 PRESSAVG: 1707200 0.234124 -43.5128 -55.4128 -43.5128 10.408 18.0157 -55.4128 18.0157 -13.2565 GPRESSAVG: 1707200 -0.447942 -43.2244 -54.8064 -43.8166 10.9951 19.3417 -53.6242 17.6361 -12.6097 TIMING: 1707200 CPU: 5397.89, 0.00318989/step Wall: 5397.89, 0.00318989/step, 2.91769 hours remaining, 235.722656 MB of memory in use. ENERGY: 1707200 3928.0871 20451.8594 14491.6642 242.5593 -202828.0036 2370.1528 0.0000 0.0000 52265.0504 -109078.6304 300.3680 -161343.6808 -108722.4553 299.8806 263.3580 296.2691 762653.7013 -0.8715 -0.6875 PRESSURE: 1707400 -110.554 52.9866 -128.679 52.9868 -295.372 47.2963 -128.678 47.2966 -331.917 GPRESSURE: 1707400 -186.22 -32.2217 -117.383 108.291 -212.81 -75.1207 21.2191 81.2617 -248.014 PRESSAVG: 1707400 16.0479 17.7251 -51.6434 17.7252 -6.65335 -7.21285 -51.6433 -7.2129 -27.8466 GPRESSAVG: 1707400 15.2923 19.6771 -53.6191 16.927 -6.9406 -6.9459 -49.5397 -10.8155 -26.7255 TIMING: 1707400 CPU: 5398.53, 0.00319969/step Wall: 5398.53, 0.00319969/step, 2.92647 hours remaining, 235.722656 MB of memory in use. ENERGY: 1707400 3963.8545 20416.4131 14528.1653 247.0913 -202998.6459 2542.9629 0.0000 0.0000 52150.0981 -109150.0608 299.7073 -161300.1589 -108777.2083 299.7095 -245.9477 -215.6812 762320.7483 -6.1507 -6.1246 PRESSURE: 1707600 -253.419 -14.0327 -175.19 -14.0322 -47.3161 -535.252 -175.191 -535.251 -163.891 GPRESSURE: 1707600 -231.253 149.988 -199.567 25.5496 23.5226 -551.055 -200.435 -441.405 -181.078 PRESSAVG: 1707600 -19.0315 14.7221 -67.346 14.7222 37.5568 -23.7671 -67.3459 -23.7671 -14.7636 GPRESSAVG: 1707600 -19.7787 14.3719 -67.2368 14.0491 37.4192 -22.2583 -69.8459 -20.6602 -14.6769 TIMING: 1707600 CPU: 5399.17, 0.00318923/step Wall: 5399.17, 0.00318923/step, 2.91673 hours remaining, 235.722656 MB of memory in use. ENERGY: 1707600 3934.6623 20410.5377 14560.5116 255.2627 -202454.6484 2092.0657 0.0000 0.0000 52024.7333 -109176.8751 298.9869 -161201.6084 -108817.5894 299.1933 -154.8753 -129.6028 762861.9450 1.2539 0.9879 PRESSURE: 1707800 -27.1861 -92.9232 12.7546 -92.9235 231.872 4.01727 12.7546 4.01777 -265.682 GPRESSURE: 1707800 23.2694 -28.1701 27.5181 16.6184 224.904 -25.1481 80.8091 -81.8855 -227.321 PRESSAVG: 1707800 -23.1787 28.3245 14.0586 28.3244 27.0977 -61.4214 14.0585 -61.4214 -3.62426 GPRESSAVG: 1707800 -21.839 27.0645 14.4562 30.0301 26.7587 -62.4301 14.4115 -62.9417 -4.50654 TIMING: 1707800 CPU: 5399.8, 0.00319445/step Wall: 5399.8, 0.00319445/step, 2.92133 hours remaining, 235.722656 MB of memory in use. ENERGY: 1707800 3965.4082 20461.7436 14620.3666 242.1872 -203139.3409 2491.2779 0.0000 0.0000 52306.5435 -109051.8139 300.6064 -161358.3573 -108694.6682 299.5427 -20.3322 6.9508 761427.0031 0.0983 0.1377 PRESSURE: 1708000 -182.135 1.61823 -151.138 1.61826 276.933 -167.201 -151.138 -167.2 350.959 GPRESSURE: 1708000 -132.456 -63.9059 -162.461 -59.6352 319.127 -131.742 -63.1225 -28.2854 345.693 PRESSAVG: 1708000 12.4295 -50.8176 4.75531 -50.8176 -38.3442 -61.5372 4.75526 -61.5373 -1.57527 GPRESSAVG: 1708000 11.8028 -51.6471 5.85228 -52.7957 -37.6195 -61.6643 5.24443 -60.4396 -1.81402 TIMING: 1708000 CPU: 5400.44, 0.00319447/step Wall: 5400.44, 0.00319447/step, 2.92116 hours remaining, 235.722656 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: 1708000 3953.7274 20241.2838 14520.2350 224.2133 -203269.5810 2920.7277 0.0000 0.0000 52171.6808 -109237.7131 299.8314 -161409.3938 -108876.2472 299.5797 148.5859 177.4547 761037.2935 -9.1633 -9.2103 PRESSURE: 1708200 -137.347 108.368 -233.949 108.367 1.41702 120.705 -233.949 120.707 -54.4067 GPRESSURE: 1708200 -119.416 41.7223 -238.711 67.2433 73.2536 132.257 -184.723 137.234 -66.0364 PRESSAVG: 1708200 48.504 -45.5831 -35.7874 -45.5831 -40.5058 17.7146 -35.7874 17.7145 3.80646 GPRESSAVG: 1708200 49.4128 -44.2201 -35.8821 -45.8755 -40.8647 18.1775 -36.6647 19.4887 3.11601 TIMING: 1708200 CPU: 5401.07, 0.0031578/step Wall: 5401.07, 0.0031578/step, 2.88746 hours remaining, 235.722656 MB of memory in use. ENERGY: 1708200 3905.0826 20439.5833 14566.1204 243.3662 -203036.2789 2578.1823 0.0000 0.0000 51855.3940 -109448.5501 298.0137 -161303.9441 -109082.2223 298.8645 -63.4457 -37.3996 762212.6906 3.9349 3.8880 LDB: ============= START OF LOAD BALANCING ============== 5413.61 LDB: ============== END OF LOAD BALANCING =============== 5413.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5413.61 LDB: ============= START OF LOAD BALANCING ============== 5413.93 LDB: Largest compute 7042 load 0.029468 is 15.1% of average load 0.195491 LDB: Average compute 0.004379 is 2.2% of average load 0.195491 LDB: TIME 5413.93 LOAD: AVG 0.195491 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.969 MB LDB: TIME 5413.93 LOAD: AVG 0.195491 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.008 MB LDB: TIME 5413.93 LOAD: AVG 0.195491 MAX 0.213043 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.008 MB LDB: ============== END OF LOAD BALANCING =============== 5413.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5413.94 PRESSURE: 1708400 31.0779 -49.3513 18.8935 -49.3518 94.9492 283.773 18.8939 283.772 -395.595 GPRESSURE: 1708400 79.0753 -148.689 88.969 -13.2782 168.688 231.905 -39.2379 152.45 -424.928 PRESSAVG: 1708400 57.7013 -33.8135 47.8333 -33.8134 -14.8277 -23.4173 47.8333 -23.4173 9.59783 GPRESSAVG: 1708400 56.5018 -33.9068 48.5122 -33.0585 -14.7927 -24.3998 47.9101 -25.1368 10.7717 TIMING: 1708400 CPU: 5401.72, 0.00322324/step Wall: 5401.72, 0.00322324/step, 2.94712 hours remaining, 238.093750 MB of memory in use. ENERGY: 1708400 4001.3427 20428.3765 14519.6063 249.2503 -203365.0902 2634.3013 0.0000 0.0000 51987.3800 -109544.8331 298.7722 -161532.2131 -109189.9512 298.5886 -89.8560 -59.0549 760936.7995 17.4905 17.4936 PRESSURE: 1708600 165.965 59.5368 48.2661 59.538 86.6762 -100.199 48.2663 -100.197 -472.506 GPRESSURE: 1708600 172.868 139.847 36.4131 45.143 90.9321 -62.7158 12.0043 -40.9152 -425.475 PRESSAVG: 1708600 -3.85162 -32.462 -0.0338222 -32.4621 -6.81869 -9.56507 -0.0337962 -9.56514 -2.29645 GPRESSAVG: 1708600 -3.09514 -33.5007 -0.384719 -30.3589 -7.21413 -9.20692 -0.551679 -9.44367 -2.60291 TIMING: 1708600 CPU: 5402.35, 0.00316078/step Wall: 5402.35, 0.00316078/step, 2.88983 hours remaining, 238.250000 MB of memory in use. ENERGY: 1708600 3968.7101 20600.7320 14592.0432 260.2188 -202901.6009 2281.3908 0.0000 0.0000 51716.6067 -109481.8993 297.2160 -161198.5060 -109126.2758 298.5383 -73.2884 -53.8915 762865.4865 -4.3223 -4.3041 PRESSURE: 1708800 -93.7114 -50.8091 -180.122 -50.8085 -3.07705 44.7253 -180.121 44.7254 -9.56122 GPRESSURE: 1708800 -40.1778 -44.7522 -253.396 -79.2653 5.97382 34.992 -235.859 -2.30923 -0.24246 PRESSAVG: 1708800 -25.0899 23.2303 -14.8514 23.2303 42.3147 -9.57971 -14.8513 -9.57976 -3.00081 GPRESSAVG: 1708800 -25.826 23.4485 -14.8753 23.5077 43.9314 -10.5396 -14.7724 -9.80802 -3.62603 TIMING: 1708800 CPU: 5402.98, 0.00315536/step Wall: 5402.98, 0.00315536/step, 2.8847 hours remaining, 238.250000 MB of memory in use. ENERGY: 1708800 3994.8351 20475.4411 14486.8990 236.9868 -203188.2225 2374.3375 0.0000 0.0000 51950.1044 -109669.6186 298.5580 -161619.7230 -109312.4675 298.3360 -35.4499 -11.4821 760845.7486 4.7413 4.8265 PRESSURE: 1709000 -103.411 -168.814 15.8985 -168.813 118.376 211.55 15.8987 211.55 -114.411 GPRESSURE: 1709000 -7.15281 -109.694 -1.11197 -80.4485 51.3781 98.4761 63.9136 162.42 -30.873 PRESSAVG: 1709000 -13.0438 -2.47838 26.2033 -2.47842 -8.47303 5.7905 26.2032 5.79047 24.6441 GPRESSAVG: 1709000 -11.8754 -1.92893 26.0601 -4.37815 -10.3325 6.90873 26.596 3.97562 25.0067 TIMING: 1709000 CPU: 5403.61, 0.00315386/step Wall: 5403.61, 0.00315386/step, 2.88316 hours remaining, 238.250000 MB of memory in use. ENERGY: 1709000 3960.2892 20315.4508 14531.3613 242.0304 -203275.5119 2602.6625 0.0000 0.0000 51790.3090 -109833.4087 297.6396 -161623.7177 -109471.3677 297.9016 -33.1486 4.4508 760818.2244 1.0424 0.9329 PRESSURE: 1709200 -101.126 128.83 -16.8646 128.831 -333.43 -38.0372 -16.8649 -38.0376 120.625 GPRESSURE: 1709200 -20.3874 120.113 -124.38 118.507 -379.395 -161.294 -121.378 -21.9262 158.548 PRESSAVG: 1709200 26.5341 -16.0467 0.774257 -16.0468 10.8936 -15.2583 0.774227 -15.2583 -12.086 GPRESSAVG: 1709200 25.8738 -15.1143 -0.620784 -15.7258 11.8298 -15.7169 -0.22133 -16.3076 -12.3278 TIMING: 1709200 CPU: 5404.24, 0.00314477/step Wall: 5404.24, 0.00314477/step, 2.87467 hours remaining, 238.250000 MB of memory in use. ENERGY: 1709200 3988.6775 20342.0949 14577.6626 233.9098 -202684.8720 2177.6253 0.0000 0.0000 51518.0506 -109846.8512 296.0749 -161364.9018 -109489.8525 297.5402 -104.6434 -80.4115 761095.1137 8.4472 8.4586 PRESSURE: 1709400 202.778 222.285 -277.004 222.286 126.33 5.91606 -277.004 5.91568 -316.65 GPRESSURE: 1709400 154.39 227.756 -337.976 203.175 216.855 -48.9625 -119.761 -45.6677 -276.635 PRESSAVG: 1709400 -1.3445 13.6098 -37.3028 13.6098 -2.90648 -16.4113 -37.3028 -16.4114 -6.21877 GPRESSAVG: 1709400 -0.987411 12.2531 -35.5819 13.9555 -3.66049 -15.8437 -37.8074 -14.599 -5.32693 TIMING: 1709400 CPU: 5404.87, 0.00316101/step Wall: 5404.87, 0.00316101/step, 2.88934 hours remaining, 238.250000 MB of memory in use. ENERGY: 1709400 3944.5080 20384.6268 14510.0740 220.0319 -203578.4194 2738.0847 0.0000 0.0000 52035.3755 -109745.7185 299.0480 -161781.0940 -109377.3217 297.8095 4.1527 31.5368 761620.7494 -3.4899 -3.3249 PRESSURE: 1709600 -87.6651 -36.3755 -188.898 -36.3749 30.0724 -56.9727 -188.897 -56.9732 -40.6679 GPRESSURE: 1709600 59.607 45.1296 -68.3431 -41.6444 30.6418 -53.6973 -170.067 -90.9406 -82.0561 PRESSAVG: 1709600 -22.5956 22.5998 -10.3296 22.5998 14.6792 -7.55863 -10.3296 -7.55861 -12.3316 GPRESSAVG: 1709600 -23.3086 23.2718 -10.6473 21.0633 15.3071 -7.63359 -9.54256 -8.22901 -13.1715 TIMING: 1709600 CPU: 5405.51, 0.00316166/step Wall: 5405.51, 0.00316166/step, 2.88976 hours remaining, 238.250000 MB of memory in use. ENERGY: 1709600 4029.4957 20416.9576 14492.1069 246.8996 -203620.8515 2957.5668 0.0000 0.0000 51733.2720 -109744.5529 297.3118 -161477.8249 -109400.1663 297.9627 -32.7535 2.7309 762326.4512 -6.7493 -7.0577 PRESSURE: 1709800 -180.656 -135.075 263.756 -135.076 -191.167 -297.002 263.756 -297.002 -495.09 GPRESSURE: 1709800 -114.543 -63.8847 282.213 -142.728 -240.777 -335.4 289.113 -117.763 -437.056 PRESSAVG: 1709800 34.1994 15.9469 19.0287 15.9469 -23.8078 -49.8657 19.0287 -49.8657 -18.0748 GPRESSAVG: 1709800 32.8452 15.6383 18.532 17.9031 -22.6415 -49.6228 18.4005 -48.9084 -17.4751 TIMING: 1709800 CPU: 5406.15, 0.00320135/step Wall: 5406.15, 0.00320135/step, 2.92585 hours remaining, 238.250000 MB of memory in use. ENERGY: 1709800 4051.7739 20634.1017 14571.9057 246.5051 -203255.3163 2568.9862 0.0000 0.0000 51582.3580 -109599.6857 296.4445 -161182.0437 -109248.2129 298.6246 -288.9712 -264.1256 764669.3167 -2.5611 -2.4238 PRESSURE: 1710000 34.5785 3.74943 -106.382 3.74885 -302.221 141.95 -106.381 141.95 129.981 GPRESSURE: 1710000 64.5708 -36.2038 -119.176 -75.0154 -309.844 116.97 -6.776 80.631 187.266 PRESSAVG: 1710000 109.688 -42.0435 14.9069 -42.0435 -107.479 -7.70631 14.9069 -7.70638 -13.9882 GPRESSAVG: 1710000 110.239 -41.3817 16.2537 -42.6515 -108.523 -7.45213 15.0029 -8.96534 -14.0487 TIMING: 1710000 CPU: 5406.78, 0.00318176/step Wall: 5406.78, 0.00318176/step, 2.90777 hours remaining, 238.250000 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: 1710000 3958.3499 20410.4015 14561.9362 262.3178 -203748.5827 2987.7048 0.0000 0.0000 51981.1287 -109586.7438 298.7363 -161567.8725 -109230.1364 298.3808 -45.8871 -19.3357 763671.5031 -3.9262 -4.1110 PRESSURE: 1710200 80.9991 -227.304 280.044 -227.305 63.3571 155.418 280.044 155.418 -222.934 GPRESSURE: 1710200 96.8873 -125.382 284.953 -106.18 65.6443 171.221 271.882 280.9 -162.96 PRESSAVG: 1710200 2.91904 -74.3305 11.5559 -74.3305 -23.624 60.2261 11.5559 60.2261 -3.63248 GPRESSAVG: 1710200 3.64257 -73.0714 11.0224 -74.9897 -23.3025 60.4819 12.1536 60.7565 -4.81823 TIMING: 1710200 CPU: 5407.42, 0.00316763/step Wall: 5407.42, 0.00316763/step, 2.89469 hours remaining, 238.320312 MB of memory in use. ENERGY: 1710200 4023.1204 20370.0202 14594.9806 238.7039 -203763.2045 2914.0377 0.0000 0.0000 51910.5827 -109711.7591 298.3308 -161622.3417 -109345.0595 297.8740 -26.1927 -0.1429 761838.2064 -8.1125 -8.1594 PRESSURE: 1710400 -100.109 143.914 89.656 143.915 -112.515 10.5803 89.6559 10.5803 140.967 GPRESSURE: 1710400 -146.441 37.1763 105.432 9.82175 -59.1618 -11.2161 66.7103 97.5571 189.846 PRESSAVG: 1710400 -29.56 -63.9964 -28.4293 -63.9964 5.59965 25.3479 -28.4293 25.3479 7.33007 GPRESSAVG: 1710400 -30.501 -66.336 -29.2322 -63.3644 5.83024 26.5701 -30.3901 25.0043 8.18757 TIMING: 1710400 CPU: 5408.06, 0.00319065/step Wall: 5408.06, 0.00319065/step, 2.91555 hours remaining, 238.320312 MB of memory in use. ENERGY: 1710400 3959.3759 20381.3396 14610.4498 254.1035 -203517.1853 2869.9229 0.0000 0.0000 52159.3893 -109282.6043 299.7607 -161441.9936 -108925.7927 298.7755 -23.8860 -5.2521 763159.8109 -5.5434 -5.4944 PRESSURE: 1710600 -283.421 3.76664 -6.73151 3.76714 -356.233 -51.9558 -6.73163 -51.9553 -253.557 GPRESSURE: 1710600 -223.824 -117.805 51.6665 22.3497 -296.805 -81.8543 -24.3963 -18.391 -282.808 PRESSAVG: 1710600 17.0757 -67.7299 7.79027 -67.7299 12.4598 30.9782 7.79028 30.9782 14.2984 GPRESSAVG: 1710600 16.2878 -69.1059 7.5135 -68.131 12.2739 28.7252 8.12628 33.1276 15.1796 TIMING: 1710600 CPU: 5408.69, 0.00318038/step Wall: 5408.69, 0.00318038/step, 2.90598 hours remaining, 238.320312 MB of memory in use. ENERGY: 1710600 3985.9970 20598.5519 14541.2512 230.1651 -203628.1247 2710.5507 0.0000 0.0000 52197.2533 -109364.3555 299.9783 -161561.6088 -109003.4009 298.7949 -297.7370 -267.8125 761092.3106 14.6113 14.5804 PRESSURE: 1710800 -42.94 125.821 61.5805 125.82 -95.7959 54.3164 61.5802 54.3172 378.848 GPRESSURE: 1710800 9.27301 30.3566 82.4184 37.586 -133.971 69.55 17.8696 43.5425 470.483 PRESSAVG: 1710800 61.8558 -66.7902 6.74361 -66.7902 -105.105 10.4921 6.74363 10.4922 4.13242 GPRESSAVG: 1710800 61.9167 -63.9237 8.54129 -66.672 -105.443 10.2599 6.88377 7.7947 5.09363 TIMING: 1710800 CPU: 5409.33, 0.00318254/step Wall: 5409.33, 0.00318254/step, 2.90778 hours remaining, 238.320312 MB of memory in use. ENERGY: 1710800 3959.7999 20463.3506 14550.0322 239.9836 -203291.4725 2593.0996 0.0000 0.0000 52020.4045 -109464.8021 298.9620 -161485.2066 -109101.9254 298.6832 80.0375 115.2617 763675.0050 -13.0389 -12.8109 PRESSURE: 1711000 -158.101 -91.6509 231.131 -91.6504 -98.6212 -91.2041 231.132 -91.2033 -158.626 GPRESSURE: 1711000 -81.8238 5.3075 230.347 -62.7193 -133.972 -60.0973 130.845 26.0771 -100.808 PRESSAVG: 1711000 15.3783 -20.621 7.53488 -20.6211 -48.85 16.9955 7.53485 16.9955 4.99171 GPRESSAVG: 1711000 16.763 -22.2505 6.85195 -18.8485 -48.3841 17.255 7.45363 19.1696 3.71429 TIMING: 1711000 CPU: 5409.97, 0.00318857/step Wall: 5409.97, 0.00318857/step, 2.91312 hours remaining, 238.320312 MB of memory in use. ENERGY: 1711000 3974.1591 20588.4828 14584.7223 239.9258 -203015.1823 2266.3596 0.0000 0.0000 51885.8621 -109475.6706 298.1888 -161361.5327 -109119.3275 298.9292 -138.4493 -105.5346 762344.2918 -9.4933 -9.3023 PRESSURE: 1711200 -34.0962 -68.6064 -12.8439 -68.6066 -309.456 203.679 -12.8449 203.68 -351.731 GPRESSURE: 1711200 -189.495 -59.6927 86.9246 -85.929 -129.056 152.752 -38.1417 120.257 -276.892 PRESSAVG: 1711200 79.4362 -17.464 -12.4851 -17.4639 -35.2259 -9.82288 -12.4851 -9.82283 -26.8071 GPRESSAVG: 1711200 79.3814 -14.3818 -11.4859 -18.7617 -34.8245 -9.47049 -12.7399 -9.43944 -27.2273 TIMING: 1711200 CPU: 5410.61, 0.00321457/step Wall: 5410.61, 0.00321457/step, 2.93668 hours remaining, 238.308594 MB of memory in use. ENERGY: 1711200 4042.2073 20583.7383 14500.5930 221.8572 -203437.3976 2626.1386 0.0000 0.0000 52047.0868 -109415.7764 299.1153 -161462.8633 -109063.8130 298.8732 -231.7612 -198.4807 762410.1240 5.8011 5.7765 PRESSURE: 1711400 -85.084 73.9482 -33.1299 73.9485 -468.129 66.4113 -33.1301 66.4118 -288.3 GPRESSURE: 1711400 -121.218 141.999 31.6527 55.1212 -357.747 73.7777 -92.3788 35.7467 -284.433 PRESSAVG: 1711400 -32.0828 -45.6951 -11.83 -45.6952 -21.8885 2.47024 -11.8299 2.47024 -11.881 GPRESSAVG: 1711400 -31.2555 -48.2569 -12.3718 -44.1825 -23.3864 2.37003 -11.7505 0.663352 -11.3533 TIMING: 1711400 CPU: 5411.25, 0.00319793/step Wall: 5411.25, 0.00319793/step, 2.92131 hours remaining, 238.320312 MB of memory in use. ENERGY: 1711400 4005.3760 20576.9422 14604.7325 238.8066 -203084.4368 2352.4593 0.0000 0.0000 51788.0662 -109518.0539 297.6267 -161306.1201 -109170.3307 299.1431 -280.5043 -254.4661 764034.1613 -21.9508 -21.9984 PRESSURE: 1711600 -621.261 146.944 33.9163 146.944 16.8582 -166.759 33.9154 -166.759 22.6251 GPRESSURE: 1711600 -561.69 85.6395 113.622 200.318 12.2913 -181.086 95.5038 -229.653 47.7906 PRESSAVG: 1711600 2.97986 -6.69359 -19.7682 -6.69359 -24.0414 35.936 -19.7682 35.936 1.97823 GPRESSAVG: 1711600 1.17533 -7.40299 -18.0805 -6.92901 -21.625 35.1558 -20.7769 36.0403 1.46693 TIMING: 1711600 CPU: 5411.89, 0.00320137/step Wall: 5411.89, 0.00320137/step, 2.92427 hours remaining, 238.320312 MB of memory in use. ENERGY: 1711600 4018.3185 20579.9699 14514.0013 248.1545 -203433.3052 2504.9912 0.0000 0.0000 52030.1683 -109537.7015 299.0181 -161567.8699 -109172.4245 298.7203 -193.9258 -167.2027 763304.7493 -6.3611 -6.3276 PRESSURE: 1711800 -364.461 -49.2526 160.111 -49.2519 -213.427 -199.186 160.112 -199.186 -160.39 GPRESSURE: 1711800 -327.256 64.0157 61.3215 -121.193 -216.905 -177.579 101.012 -165.358 -97.2833 PRESSAVG: 1711800 -37.148 22.8894 38.3756 22.8894 -11.2621 -2.72093 38.3756 -2.721 -21.5569 GPRESSAVG: 1711800 -35.1155 26.4706 36.3168 19.5787 -13.3871 -2.7106 41.6784 -1.05559 -20.5314 TIMING: 1711800 CPU: 5412.52, 0.00316526/step Wall: 5412.52, 0.00316526/step, 2.89112 hours remaining, 238.320312 MB of memory in use. ENERGY: 1711800 4020.1575 20332.2492 14531.4267 259.3892 -203470.1489 2717.7948 0.0000 0.0000 52088.0198 -109521.1116 299.3506 -161609.1314 -109158.5285 299.2104 -246.0927 -213.8149 763611.4326 -23.3223 -23.0113 PRESSURE: 1712000 -148.507 -53.506 260.706 -53.5061 -320.071 -7.29058 260.705 -7.29057 -430.59 GPRESSURE: 1712000 -157.759 4.46684 215.408 -82.3005 -327.652 19.6443 200.305 -74.9617 -340.005 PRESSAVG: 1712000 16.138 25.6295 12.4998 25.6295 5.50876 -58.6574 12.4998 -58.6574 -9.50691 GPRESSAVG: 1712000 16.2107 23.3843 13.4105 28.0723 5.97822 -58.21 10.0706 -58.5779 -10.3055 TIMING: 1712000 CPU: 5413.15, 0.00315544/step Wall: 5413.15, 0.00315544/step, 2.88197 hours remaining, 238.320312 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: 1712000 4043.6007 20484.6444 14556.9478 241.8409 -203576.1074 2825.5403 0.0000 0.0000 51957.3511 -109466.1823 298.5996 -161423.5333 -109107.8785 298.8627 -299.7227 -275.1390 762516.3949 4.0466 3.9611 PRESSURE: 1712200 -429.36 -123.65 144.198 -123.65 -261.761 42.508 144.198 42.5089 -236.3 GPRESSURE: 1712200 -410.92 -25.7938 268.243 -47.707 -276.559 48.2531 69.1133 24.4345 -177.586 PRESSAVG: 1712200 32.283 32.7954 5.54491 32.7954 -51.2383 17.5666 5.54493 17.5665 -31.0444 GPRESSAVG: 1712200 31.8762 34.3448 5.72484 32.4766 -51.1907 17.6 4.46691 18.0923 -30.2641 TIMING: 1712200 CPU: 5413.78, 0.00315432/step Wall: 5413.78, 0.00315432/step, 2.88077 hours remaining, 238.320312 MB of memory in use. ENERGY: 1712200 3992.1427 20618.1672 14549.0926 236.5214 -203186.3694 2284.7965 0.0000 0.0000 51993.2056 -109512.4434 298.8057 -161505.6489 -109151.6547 298.8017 -309.1405 -288.3548 762395.0762 -16.6666 -16.5262 LDB: ============= START OF LOAD BALANCING ============== 5426.32 LDB: ============== END OF LOAD BALANCING =============== 5426.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5426.32 LDB: ============= START OF LOAD BALANCING ============== 5426.64 LDB: Largest compute 7042 load 0.030692 is 15.7% of average load 0.195442 LDB: Average compute 0.004378 is 2.2% of average load 0.195442 LDB: TIME 5426.64 LOAD: AVG 0.195442 MAX 0.213727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.781 MB LDB: TIME 5426.64 LOAD: AVG 0.195442 MAX 0.213727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: TIME 5426.64 LOAD: AVG 0.195442 MAX 0.213727 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: ============== END OF LOAD BALANCING =============== 5426.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5426.65 PRESSURE: 1712400 -328.81 -78.6543 -14.1238 -78.6553 -101.76 134.73 -14.1231 134.731 -294.135 GPRESSURE: 1712400 -352.593 -28.9892 -21.5882 -117.216 -5.71702 183.971 -16.7484 103.709 -284.024 PRESSAVG: 1712400 26.7822 -67.5211 -61.7662 -67.5212 -58.9331 34.1889 -61.7662 34.189 5.16888 GPRESSAVG: 1712400 26.8892 -67.2621 -61.9468 -65.7205 -57.6653 33.6144 -62.7679 33.2908 4.3893 TIMING: 1712400 CPU: 5414.43, 0.00325301/step Wall: 5414.43, 0.00325301/step, 2.97072 hours remaining, 233.792969 MB of memory in use. ENERGY: 1712400 4017.1181 20796.3223 14591.6978 249.1635 -203155.5279 2357.3088 0.0000 0.0000 51835.4090 -109308.5084 297.8988 -161143.9174 -108955.5192 298.8558 -241.5680 -214.1111 763182.1157 -8.9940 -8.7956 PRESSURE: 1712600 -244.516 -60.4678 -29.9471 -60.4675 -145.616 -130.273 -29.9466 -130.273 5.96788 GPRESSURE: 1712600 -191.277 -33.4525 -104.144 -88.7902 -84.7531 -126.795 -40.8967 -106.15 -48.129 PRESSAVG: 1712600 41.5045 -92.4987 11.2103 -92.4987 -27.5781 2.99094 11.2103 2.99097 -11.6612 GPRESSAVG: 1712600 41.7054 -94.6955 8.9853 -93.9592 -28.2883 3.84718 13.4621 3.19085 -11.0475 TIMING: 1712600 CPU: 5415.07, 0.00316082/step Wall: 5415.07, 0.00316082/step, 2.88636 hours remaining, 233.792969 MB of memory in use. ENERGY: 1712600 4008.6494 20766.7692 14607.5072 265.0368 -203549.9842 2661.5259 0.0000 0.0000 52131.9027 -109108.5930 299.6028 -161240.4957 -108746.1501 299.5688 -128.0547 -108.0531 761104.3125 0.7551 0.7899 PRESSURE: 1712800 -86.2941 -114.381 21.2837 -114.381 -182.3 -111.239 21.2835 -111.24 -466.139 GPRESSURE: 1712800 -84.6267 -152.096 39.7729 -175.145 -133.494 -120.668 -23.9159 9.343 -435.397 PRESSAVG: 1712800 13.5251 -54.873 15.8386 -54.873 -11.1493 -34.5427 15.8386 -34.5429 8.27506 GPRESSAVG: 1712800 12.1831 -53.5916 17.3275 -55.0946 -10.0218 -35.8556 15.1347 -35.4329 8.43716 TIMING: 1712800 CPU: 5415.7, 0.00316981/step Wall: 5415.7, 0.00316981/step, 2.89439 hours remaining, 233.792969 MB of memory in use. ENERGY: 1712800 3965.2675 20727.5046 14532.9984 245.9287 -202990.7426 2203.9624 0.0000 0.0000 52297.1138 -109017.9673 300.5522 -161315.0811 -108647.1345 300.0353 -244.9109 -217.8395 761784.2089 3.5503 3.5328 PRESSURE: 1713000 71.4171 279.491 116.391 279.492 14.2534 171.89 116.392 171.89 274.739 GPRESSURE: 1713000 144.273 248.473 242.41 305.732 36.602 296.499 10.134 171.027 251.244 PRESSAVG: 1713000 -24.6246 -4.59027 43.0766 -4.59027 -15.1791 -28.0819 43.0766 -28.0819 -6.31583 GPRESSAVG: 1713000 -23.5441 -6.75562 43.0639 -2.71548 -15.8957 -26.0419 42.7662 -28.7847 -6.90211 TIMING: 1713000 CPU: 5416.33, 0.00316708/step Wall: 5416.33, 0.00316708/step, 2.89172 hours remaining, 233.792969 MB of memory in use. ENERGY: 1713000 3966.5497 20569.4047 14605.3824 246.1193 -202825.7531 2243.9756 0.0000 0.0000 52358.4168 -108835.9047 300.9045 -161194.3214 -108468.3165 300.1544 120.1366 144.0397 762043.1154 -15.3732 -15.4473 PRESSURE: 1713200 243.639 -163.843 85.9475 -163.843 -45.1686 -71.7514 85.9468 -71.7509 -104.269 GPRESSURE: 1713200 339.571 -160.748 130.027 -27.0208 -5.94437 -39.69 -7.54125 -140.91 -154.362 PRESSAVG: 1713200 -26.1066 -10.2597 2.29022 -10.2597 23.6076 -3.61103 2.29027 -3.61101 -4.66692 GPRESSAVG: 1713200 -25.9002 -9.04725 0.528093 -11.0629 23.4007 -4.11894 2.08508 -2.57029 -4.11208 TIMING: 1713200 CPU: 5416.97, 0.00316977/step Wall: 5416.97, 0.00316977/step, 2.894 hours remaining, 233.792969 MB of memory in use. ENERGY: 1713200 4024.5181 20676.8526 14512.4562 229.3677 -202996.9257 2497.7666 0.0000 0.0000 51991.7248 -109064.2396 298.7972 -161055.9643 -108703.7645 300.0369 31.4002 59.7547 762472.4441 -2.3887 -2.2039 PRESSURE: 1713400 -32.1867 -107.171 -149.383 -107.172 189.361 97.0441 -149.383 97.0435 509.113 GPRESSURE: 1713400 -43.0986 -130.871 -120.776 -85.3096 232.023 7.54153 -53.7663 90.1245 560.742 PRESSAVG: 1713400 -45.0061 -47.6447 -7.04347 -47.6447 39.4132 29.5383 -7.04345 29.5383 19.8486 GPRESSAVG: 1713400 -45.676 -49.6363 -4.77261 -46.2584 40.6663 28.7459 -8.41026 29.5279 19.8291 TIMING: 1713400 CPU: 5417.6, 0.00316685/step Wall: 5417.6, 0.00316685/step, 2.89115 hours remaining, 233.859375 MB of memory in use. ENERGY: 1713400 3940.7784 20604.8234 14512.0378 244.1788 -203184.0572 2745.8822 0.0000 0.0000 52273.2627 -108863.0940 300.4152 -161136.3567 -108498.2236 299.7722 222.0958 249.8889 761715.4822 4.7519 4.9398 PRESSURE: 1713600 148.666 -63.1517 97.9027 -63.1516 207.582 -38.942 97.9026 -38.9415 -469.03 GPRESSURE: 1713600 57.4758 -36.7716 120.573 51.9097 299.434 -88.4284 51.5451 53.5072 -385.794 PRESSAVG: 1713600 6.58554 0.294484 -8.203 0.29447 15.6008 35.3248 -8.20307 35.3248 4.10804 GPRESSAVG: 1713600 6.18801 2.80669 -8.03988 -2.78314 15.0225 36.317 -10.0527 35.7327 5.05883 TIMING: 1713600 CPU: 5418.24, 0.00318062/step Wall: 5418.24, 0.00318062/step, 2.90356 hours remaining, 233.859375 MB of memory in use. ENERGY: 1713600 4042.4034 20476.4465 14601.9786 247.0477 -203604.3679 3005.2119 0.0000 0.0000 52157.2181 -109074.0618 299.7482 -161231.2799 -108714.3910 299.5781 -37.5942 -9.6282 762929.4148 8.7648 8.7564 PRESSURE: 1713800 -319.286 53.9295 16.914 53.9283 322.663 -29.8017 16.9129 -29.8012 -444.045 GPRESSURE: 1713800 -300.445 33.9624 40.0669 39.6615 327.4 -15.5832 -35.1398 -30.705 -365.739 PRESSAVG: 1713800 -4.36452 15.631 -53.2937 15.631 48.7641 -5.76099 -53.2937 -5.76097 -32.1478 GPRESSAVG: 1713800 -3.51306 14.3932 -56.1752 17.87 48.2821 -6.29695 -50.2357 -4.638 -32.6433 TIMING: 1713800 CPU: 5418.86, 0.00313585/step Wall: 5418.86, 0.00313585/step, 2.86251 hours remaining, 233.859375 MB of memory in use. ENERGY: 1713800 3986.3008 20415.2286 14615.0144 273.8377 -202742.7563 2297.7744 0.0000 0.0000 52107.9130 -109046.6874 299.4649 -161154.6004 -108686.2970 299.5139 -146.8895 -112.9280 762692.2833 4.0839 4.0419 PRESSURE: 1714000 310.858 -286.051 -122.599 -286.051 -133.997 193.023 -122.599 193.023 -109.842 GPRESSURE: 1714000 347.385 -219.253 -37.7715 -257.203 -118.847 201.318 -90.7254 143.712 -79.7326 PRESSAVG: 1714000 35.4792 5.70974 -40.5999 5.70969 -34.7053 -16.7339 -40.6 -16.7338 -10.0778 GPRESSAVG: 1714000 35.265 7.03713 -40.0514 6.34642 -35.147 -16.5201 -37.8763 -17.1908 -9.88236 TIMING: 1714000 CPU: 5419.49, 0.00315396/step Wall: 5419.49, 0.00315396/step, 2.87887 hours remaining, 233.859375 MB of memory 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 4088.9303 20536.0136 14512.0712 267.8796 -203167.4657 2430.5209 0.0000 0.0000 52107.3590 -109224.6910 299.4617 -161332.0500 -108869.9226 299.4998 22.3395 49.6019 760022.0163 -3.1013 -3.2548 PRESSURE: 1714200 307.063 112.619 -9.52622 112.619 -84.5571 70.8514 -9.52583 70.8522 224.664 GPRESSURE: 1714200 347.092 91.7845 -80.9222 55.7357 -27.5725 39.759 -2.33357 -51.4341 211.193 PRESSAVG: 1714200 26.6327 7.86397 32.1252 7.86392 -4.3527 -34.0503 32.1252 -34.0503 7.13964 GPRESSAVG: 1714200 26.8407 6.65379 32.6243 7.792 -3.32856 -34.1042 30.7492 -35.4244 6.59945 TIMING: 1714200 CPU: 5420.13, 0.00317381/step Wall: 5420.13, 0.00317381/step, 2.89681 hours remaining, 233.859375 MB of memory in use. ENERGY: 1714200 3885.5933 20430.6765 14525.2670 246.2054 -203448.9093 2570.1099 0.0000 0.0000 52539.9198 -109251.1374 301.9476 -161791.0572 -108878.5820 299.5739 149.0567 176.9040 760454.3249 9.8066 10.0372 PRESSURE: 1714400 84.7777 -21.2466 312.951 -21.2469 -46.8895 162.281 312.95 162.281 60.7461 GPRESSURE: 1714400 107.612 40.1486 255.331 27.1938 33.3081 170.356 310.566 137.707 46.1913 PRESSAVG: 1714400 -3.20444 58.7301 30.0985 58.73 9.29031 -24.3563 30.0985 -24.3562 -9.32066 GPRESSAVG: 1714400 -3.17764 58.2723 29.3377 58.4217 9.55462 -23.4327 29.1565 -25.1673 -9.6871 TIMING: 1714400 CPU: 5420.76, 0.0031673/step Wall: 5420.76, 0.0031673/step, 2.89069 hours remaining, 233.859375 MB of memory in use. ENERGY: 1714400 3990.1954 20685.5952 14500.8627 260.1536 -203339.5402 2790.6025 0.0000 0.0000 51905.2220 -109206.9089 298.3000 -161112.1309 -108861.1284 299.6371 32.8781 62.3703 761503.1967 -1.0783 -1.1034 PRESSURE: 1714600 -15.9032 111.192 -12.4517 111.192 412.482 -131.54 -12.4517 -131.539 -24.3471 GPRESSURE: 1714600 85.1419 83.8395 -28.7309 14.5531 327.841 -104.025 64.8389 -117.709 47.5919 PRESSAVG: 1714600 13.9923 20.0048 33.3279 20.0048 9.04085 -8.93695 33.3279 -8.93697 11.4362 GPRESSAVG: 1714600 14.1715 22.4657 34.776 17.5993 8.11888 -8.08097 32.4098 -8.45324 12.326 TIMING: 1714600 CPU: 5421.39, 0.00312567/step Wall: 5421.39, 0.00312567/step, 2.85252 hours remaining, 233.859375 MB of memory in use. ENERGY: 1714600 3981.6514 20606.4469 14476.2289 240.9370 -203619.8906 2787.6818 0.0000 0.0000 52181.7545 -109345.1900 299.8893 -161526.9445 -108989.1124 299.5527 124.0773 153.5251 761485.7676 11.4898 11.5388 PRESSURE: 1714800 -255.893 -43.4926 -37.4517 -43.4929 -241.22 93.7395 -37.4511 93.738 -117.616 GPRESSURE: 1714800 -214.448 -17.1797 -93.7621 -36.1848 -166.246 119.744 -67.7585 86.8317 -151.693 PRESSAVG: 1714800 23.0213 -5.58316 30.3238 -5.58314 -2.71554 -42.6791 30.3239 -42.6791 -10.5232 GPRESSAVG: 1714800 23.2104 -7.06522 30.1868 -2.80008 -1.27346 -42.5426 30.0825 -43.9396 -11.5466 TIMING: 1714800 CPU: 5422.01, 0.00313197/step Wall: 5422.01, 0.00313197/step, 2.8581 hours remaining, 233.859375 MB of memory in use. ENERGY: 1714800 4009.0115 20497.2378 14581.6393 259.4354 -203362.8036 2626.6657 0.0000 0.0000 52101.8367 -109286.9773 299.4300 -161388.8139 -108909.5229 299.7417 -204.9098 -177.4623 762228.3882 3.2609 3.4635 PRESSURE: 1715000 -42.5478 -56.6915 -118.946 -56.6907 -39.5639 -100.808 -118.946 -100.808 -235.246 GPRESSURE: 1715000 22.5758 -40.3279 -156.673 -51.7458 -70.8821 -56.2796 66.1353 12.9151 -171.28 PRESSAVG: 1715000 -9.01633 -21.9957 23.7591 -21.9957 16.0227 -2.29925 23.7591 -2.29933 13.3817 GPRESSAVG: 1715000 -10.5189 -20.9053 22.8635 -23.4014 15.2414 -2.61848 24.7946 -2.06882 15.3731 TIMING: 1715000 CPU: 5422.64, 0.00314015/step Wall: 5422.64, 0.00314015/step, 2.86538 hours remaining, 233.859375 MB of memory in use. ENERGY: 1715000 3913.7654 20690.7869 14522.5695 261.8667 -203482.9659 2767.2322 0.0000 0.0000 52026.1908 -109300.5544 298.9952 -161326.7452 -108937.6074 299.4803 -105.7860 -73.1956 761502.9882 6.7960 6.6985 PRESSURE: 1715200 3.36806 -226.072 43.2968 -226.072 33.3955 11.2392 43.2968 11.2404 207.655 GPRESSURE: 1715200 -17.1291 -126.167 105.614 -222.39 84.2615 -49.1501 94.8668 112.356 267.031 PRESSAVG: 1715200 -53.1779 -26.6546 16.0518 -26.6546 23.6998 -10.4187 16.0518 -10.4186 -18.472 GPRESSAVG: 1715200 -50.706 -25.6681 18.4682 -26.5614 23.2135 -11.2539 15.0657 -8.2188 -20.4752 TIMING: 1715200 CPU: 5423.27, 0.00313974/step Wall: 5423.27, 0.00313974/step, 2.86483 hours remaining, 233.859375 MB of memory in use. ENERGY: 1715200 3919.3547 20585.2603 14595.3095 243.6785 -203181.1561 2489.6392 0.0000 0.0000 52035.7263 -109312.1875 299.0500 -161347.9138 -108948.3997 299.2274 81.4729 111.3880 760496.9158 -15.9833 -15.9892 PRESSURE: 1715400 7.04478 172.286 -218.587 172.287 -305.869 -31.6605 -218.588 -31.6589 298.753 GPRESSURE: 1715400 -8.75492 35.3948 -235.234 222.695 -247.606 -28.4913 -80.121 -86.254 331.301 PRESSAVG: 1715400 84.6083 -14.9751 -13.6358 -14.9752 -31.1705 8.93177 -13.6359 8.93172 9.47099 GPRESSAVG: 1715400 82.3774 -16.2204 -16.2441 -15.0011 -29.6321 10.0626 -11.0277 8.55621 10.0744 TIMING: 1715400 CPU: 5423.9, 0.00315553/step Wall: 5423.9, 0.00315553/step, 2.87907 hours remaining, 233.859375 MB of memory in use. ENERGY: 1715400 3961.1157 20546.2104 14559.2730 244.8144 -203290.1869 2628.8703 0.0000 0.0000 52055.0913 -109294.8119 299.1613 -161349.9031 -108929.5120 299.3622 -0.0239 24.9802 761328.2573 20.9696 20.9399 PRESSURE: 1715600 73.723 -23.4202 -12.8195 -23.4205 118.592 109.118 -12.8191 109.118 -326.315 GPRESSURE: 1715600 104.876 30.3689 -11.2527 -69.8915 155.087 42.5041 -207.413 49.6109 -330.888 PRESSAVG: 1715600 13.099 -58.165 -1.68821 -58.165 -70.2795 46.9793 -1.68823 46.9794 1.20557 GPRESSAVG: 1715600 12.4938 -57.9111 -2.43656 -58.2308 -69.7912 44.51 -3.50251 47.7864 0.862132 TIMING: 1715600 CPU: 5424.53, 0.00315335/step Wall: 5424.53, 0.00315335/step, 2.87691 hours remaining, 233.859375 MB of memory in use. ENERGY: 1715600 3876.1024 20682.7424 14512.7504 240.6509 -203554.4150 2761.7503 0.0000 0.0000 52197.3678 -109283.0507 299.9790 -161480.4186 -108912.4010 299.0747 -44.6666 -23.6415 760375.3627 -18.6583 -18.8118 PRESSURE: 1715800 -235.995 -62.9431 -88.8885 -62.9431 -322.671 16.3824 -88.8891 16.3834 -155.74 GPRESSURE: 1715800 -188.177 -38.4425 -97.9464 -213.199 -259.58 -25.4537 -61.2825 147.847 -178.128 PRESSAVG: 1715800 77.2528 -28.0005 20.6 -28.0005 -54.4223 35.6515 20.6 35.6515 -15.5276 GPRESSAVG: 1715800 78.8665 -28.0857 22.1899 -28.532 -56.4181 37.0489 19.4321 34.9996 -15.1207 TIMING: 1715800 CPU: 5425.16, 0.00314447/step Wall: 5425.16, 0.00314447/step, 2.86863 hours remaining, 233.859375 MB of memory in use. ENERGY: 1715800 4024.3147 20612.1790 14533.3190 252.1699 -202975.8464 2436.1964 0.0000 0.0000 51875.3125 -109242.3549 298.1281 -161117.6674 -108887.8027 299.4046 -238.1354 -208.6282 761761.2060 2.4343 2.4425 PRESSURE: 1716000 158.752 20.6872 -30.7985 20.6873 3.80027 -42.208 -30.7984 -42.2079 -59.3206 GPRESSURE: 1716000 179.356 35.6816 32.0584 -11.6542 69.5685 -70.7747 2.80696 -72.0084 -61.6515 PRESSAVG: 1716000 26.7264 -3.57606 -10.4577 -3.57609 -5.04706 11.5604 -10.4576 11.5604 14.3748 GPRESSAVG: 1716000 25.8911 -5.85736 -9.25974 -2.56682 -2.59623 11.5534 -9.9648 11.8212 12.1697 TIMING: 1716000 CPU: 5425.79, 0.00314706/step Wall: 5425.79, 0.00314706/step, 2.87082 hours remaining, 233.859375 MB of memory 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 3978.2243 20630.3050 14472.0493 254.7434 -203778.4937 2898.8687 0.0000 0.0000 52255.4521 -109288.8509 300.3128 -161544.3029 -108933.4054 300.1082 34.4106 62.4244 760793.5218 12.0180 11.8215 PRESSURE: 1716200 -125.37 -327.232 -102.608 -327.232 -9.14339 -119.075 -102.607 -119.076 85.57 GPRESSURE: 1716200 -41.9982 -316.189 -77.7341 -358.382 -31.0323 -137.385 -150.787 -73.2024 104.447 PRESSAVG: 1716200 -27.6137 -11.896 3.50861 -11.896 5.0618 1.75892 3.50858 1.75896 2.66612 GPRESSAVG: 1716200 -28.4896 -10.0249 3.07143 -12.6814 3.85427 3.5553 3.39752 -0.499912 5.27981 TIMING: 1716200 CPU: 5426.42, 0.00314256/step Wall: 5426.42, 0.00314256/step, 2.86654 hours remaining, 233.847656 MB of memory in use. ENERGY: 1716200 4045.1455 20711.4624 14510.6239 231.8243 -203227.7247 2647.7239 0.0000 0.0000 52026.5300 -109054.4148 298.9972 -161080.9447 -108692.8219 300.0453 -16.3145 10.4723 761254.9915 -6.6286 -6.4518 LDB: ============= START OF LOAD BALANCING ============== 5438.95 LDB: ============== END OF LOAD BALANCING =============== 5438.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5438.95 LDB: ============= START OF LOAD BALANCING ============== 5439.27 LDB: Largest compute 7042 load 0.031647 is 16.2% of average load 0.195429 LDB: Average compute 0.004386 is 2.2% of average load 0.195429 LDB: TIME 5439.27 LOAD: AVG 0.195429 MAX 0.216736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.383 MB LDB: TIME 5439.27 LOAD: AVG 0.195429 MAX 0.216736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: TIME 5439.27 LOAD: AVG 0.195429 MAX 0.216736 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: ============== END OF LOAD BALANCING =============== 5439.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5439.28 PRESSURE: 1716400 -110.427 -44.7794 -115.516 -44.7792 -38.145 116.559 -115.516 116.56 -136.836 GPRESSURE: 1716400 -121.382 -25.7427 -140.036 42.5248 100.423 132.922 -192.458 54.2525 -181.501 PRESSAVG: 1716400 -6.36655 -46.0133 -21.8663 -46.0133 24.5076 -3.28552 -21.8662 -3.28554 -4.58799 GPRESSAVG: 1716400 -6.10906 -45.2715 -22.1468 -44.275 25.2614 -3.42059 -21.7629 -1.80278 -5.62891 TIMING: 1716400 CPU: 5427.06, 0.00322504/step Wall: 5427.06, 0.00322504/step, 2.94159 hours remaining, 236.152344 MB of memory in use. ENERGY: 1716400 3987.4362 20715.6244 14577.8972 251.1587 -203235.8995 2704.5433 0.0000 0.0000 51957.2501 -109041.9895 298.5990 -160999.2396 -108678.8735 300.1309 -95.1358 -67.4868 763360.5939 4.5177 4.5078 PRESSURE: 1716600 -84.8811 35.5597 41.1388 35.5602 306.989 150.341 41.1381 150.341 -2.63085 GPRESSURE: 1716600 -36.4056 -76.395 -4.12826 5.15457 367.416 186.534 74.1209 106.135 -21.4427 PRESSAVG: 1716600 1.2441 2.26079 -41.0581 2.26078 31.6341 1.57097 -41.0581 1.57087 -3.40839 GPRESSAVG: 1716600 2.09731 1.11252 -40.6077 1.421 30.4746 1.30641 -40.033 0.816001 -3.36887 TIMING: 1716600 CPU: 5427.69, 0.00314069/step Wall: 5427.69, 0.00314069/step, 2.86449 hours remaining, 236.152344 MB of memory in use. ENERGY: 1716600 3988.3893 20651.3866 14579.7049 254.0682 -203447.2669 2659.9415 0.0000 0.0000 52227.5411 -109086.2353 300.1524 -161313.7765 -108723.0207 300.3153 73.1592 103.1892 761219.6819 9.8233 9.7343 PRESSURE: 1716800 56.6634 -62.0558 -185.467 -62.0565 -25.7664 -140.328 -185.467 -140.328 158.27 GPRESSURE: 1716800 167.604 -15.3986 -230.163 -144.264 -26.8538 -75.7935 -267.697 -265.41 134.721 PRESSAVG: 1716800 33.1345 30.1208 -6.52503 30.1208 -50.5129 -6.05502 -6.52504 -6.05494 -21.5282 GPRESSAVG: 1716800 32.1691 28.9092 -5.24163 30.1366 -49.1811 -5.41037 -9.13918 -3.91818 -21.5675 TIMING: 1716800 CPU: 5428.33, 0.0031725/step Wall: 5428.33, 0.0031725/step, 2.89332 hours remaining, 236.152344 MB of memory in use. ENERGY: 1716800 3988.9448 20596.8175 14576.7506 253.2943 -202925.5476 2317.0265 0.0000 0.0000 52106.9234 -109085.7905 299.4592 -161192.7139 -108715.5134 300.2823 63.0557 91.8236 762578.1087 -12.9689 -12.8598 PRESSURE: 1717000 -85.5245 210.349 -16.7424 210.349 -98.579 90.2676 -16.7415 90.2674 -257.931 GPRESSURE: 1717000 -124.148 100.291 35.2278 206.069 -75.3506 155.567 -24.8319 -66.8351 -176.544 PRESSAVG: 1717000 -15.2373 -40.1287 -13.2811 -40.1287 -20.5353 35.4072 -13.2811 35.4072 7.55905 GPRESSAVG: 1717000 -15.7424 -39.3837 -14.7708 -39.6675 -21.2843 33.7782 -10.8483 35.5077 9.334 TIMING: 1717000 CPU: 5428.96, 0.00316155/step Wall: 5428.96, 0.00316156/step, 2.88316 hours remaining, 236.152344 MB of memory in use. ENERGY: 1717000 4014.6405 20667.9232 14511.1211 237.3601 -203350.8004 2727.6781 0.0000 0.0000 52127.4588 -109064.6185 299.5772 -161192.0774 -108702.5798 299.8311 -147.3446 -125.3475 762545.3190 -9.4045 -9.2309 PRESSURE: 1717200 -150.814 -37.41 -29.771 -37.4109 -13.4807 44.3513 -29.7709 44.3508 348.712 GPRESSURE: 1717200 -52.8333 42.252 -49.7489 165.018 -28.4303 17.4844 90.2519 -38.6155 335.126 PRESSAVG: 1717200 16.4631 53.4903 -7.51386 53.4902 -34.6425 -7.1237 -7.51382 -7.1236 1.80674 GPRESSAVG: 1717200 16.5554 54.6262 -8.055 51.328 -34.183 -8.32384 -7.85207 -9.75246 1.46253 TIMING: 1717200 CPU: 5429.6, 0.00318308/step Wall: 5429.6, 0.00318308/step, 2.90261 hours remaining, 236.152344 MB of memory in use. ENERGY: 1717200 3910.4891 20655.4907 14527.4426 242.5897 -203879.8670 3037.6499 0.0000 0.0000 52345.4670 -109160.7379 300.8301 -161506.2049 -108800.4170 300.0816 61.4727 84.6207 763168.6838 -5.4576 -5.3884 PRESSURE: 1717400 0.952431 56.0728 90.5762 56.0731 -355.9 -77.6164 90.577 -77.618 118.593 GPRESSURE: 1717400 -79.9755 23.995 137.033 136.856 -239.374 -138.156 21.6305 84.374 148.943 PRESSAVG: 1717400 -1.99368 -57.8229 -10.968 -57.8228 -37.3259 -11.8657 -10.968 -11.8658 25.7363 GPRESSAVG: 1717400 -0.601016 -57.4865 -11.7432 -55.5167 -38.191 -11.905 -11.8065 -10.3711 25.7777 TIMING: 1717400 CPU: 5430.23, 0.0031487/step Wall: 5430.23, 0.00314871/step, 2.87109 hours remaining, 236.152344 MB of memory in use. ENERGY: 1717400 4015.3527 20687.3243 14602.4053 256.3258 -203559.1962 2626.3660 0.0000 0.0000 52094.2609 -109277.1611 299.3864 -161371.4220 -108914.4256 299.5855 -78.7848 -56.8020 762724.8061 -4.5278 -4.3381 PRESSURE: 1717600 -279.009 -180.69 -4.86865 -180.689 108.832 -17.1331 -4.86779 -17.1332 195.392 GPRESSURE: 1717600 -172.634 -111.912 -48.3201 -194.834 93.3806 86.3647 -87.5877 1.76481 190.937 PRESSAVG: 1717600 -11.0591 -22.9259 -0.39627 -22.9258 23.4285 13.1226 -0.396272 13.1225 2.39684 GPRESSAVG: 1717600 -11.7012 -23.4758 -0.131351 -24.4928 23.7755 14.3601 0.596965 13.8374 2.54306 TIMING: 1717600 CPU: 5430.86, 0.00316132/step Wall: 5430.86, 0.00316132/step, 2.88242 hours remaining, 236.152344 MB of memory in use. ENERGY: 1717600 3946.7248 20573.8990 14539.6896 252.1260 -203157.7702 2532.5191 0.0000 0.0000 52210.6555 -109102.1561 300.0554 -161312.8116 -108735.8541 300.0996 8.4047 37.2280 762773.1338 4.9221 4.8725 PRESSURE: 1717800 -8.0941 79.5971 126.821 79.5978 -154.952 -135.76 126.821 -135.76 264.757 GPRESSURE: 1717800 52.8751 98.1081 147.603 68.9669 -143.51 -223.888 184.527 14.9363 272.066 PRESSAVG: 1717800 -11.6763 -49.5451 18.3911 -49.5452 8.54461 -7.2414 18.391 -7.24141 6.7215 GPRESSAVG: 1717800 -10.9673 -49.3476 18.2428 -49.6902 7.65183 -8.39358 17.3021 -6.97838 6.98517 TIMING: 1717800 CPU: 5431.49, 0.00316209/step Wall: 5431.49, 0.00316209/step, 2.88295 hours remaining, 236.152344 MB of memory in use. ENERGY: 1717800 4020.8378 20561.9196 14650.4619 245.9733 -203333.4980 2493.7069 0.0000 0.0000 52283.1011 -109077.4974 300.4717 -161360.5985 -108721.9095 299.8157 33.9039 60.4772 762435.2063 1.1966 1.2232 PRESSURE: 1718000 178.73 12.1521 11.9105 12.1513 124.362 83.6593 11.9107 83.6591 333.384 GPRESSURE: 1718000 227.569 51.1863 -19.5963 143.333 53.2618 147.314 -40.7041 25.0651 416.735 PRESSAVG: 1718000 27.5184 35.6405 3.30758 35.6405 -57.1472 23.6421 3.30757 23.6421 24.9752 GPRESSAVG: 1718000 28.1287 37.6491 4.55144 35.2027 -55.7542 24.4463 3.82677 23.1476 23.5679 TIMING: 1718000 CPU: 5432.13, 0.00317677/step Wall: 5432.13, 0.00317677/step, 2.89616 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: 1718000 3992.2087 20583.5261 14649.5382 245.7688 -203679.7968 2899.9464 0.0000 0.0000 52015.8384 -109292.9702 298.9357 -161308.8086 -108933.2041 299.7185 212.1588 232.5219 761319.8191 -1.5512 -1.3525 PRESSURE: 1718200 -364.474 -167.663 58.5192 -167.661 -204.028 -229.422 58.5187 -229.422 -269.94 GPRESSURE: 1718200 -284.093 -41.6589 101.151 -205.52 -226.914 -251.828 33.5168 -335.373 -236.54 PRESSAVG: 1718200 17.8574 16.4395 43.6833 16.4395 -34.318 7.44207 43.6832 7.44206 -22.8455 GPRESSAVG: 1718200 16.5563 13.5283 43.6002 17.9462 -34.5874 7.08768 41.8892 7.66265 -21.2381 TIMING: 1718200 CPU: 5432.76, 0.00315677/step Wall: 5432.76, 0.00315677/step, 2.87775 hours remaining, 236.152344 MB of memory in use. ENERGY: 1718200 4035.3768 20599.2436 14495.3692 254.7171 -202827.2521 2275.6756 0.0000 0.0000 52046.0445 -109120.8252 299.1093 -161166.8698 -108757.4163 299.8190 -279.4809 -249.1820 763780.8500 -13.1020 -13.0898 PRESSURE: 1718400 -188.065 5.7941 -61.5142 5.79436 22.8066 -129.082 -61.5148 -129.081 -491.579 GPRESSURE: 1718400 -233.171 14.7444 -51.8084 -88.3725 -33.2823 -136.69 24.9454 -34.5056 -328 PRESSAVG: 1718400 18.5442 -52.537 36.1777 -52.5371 -84.1539 7.44918 36.1777 7.44918 -5.62834 GPRESSAVG: 1718400 19.3109 -51.872 36.2202 -54.5185 -84.3117 8.22909 38.4468 7.5026 -6.32869 TIMING: 1718400 CPU: 5433.39, 0.00317518/step Wall: 5433.39, 0.00317518/step, 2.89435 hours remaining, 236.152344 MB of memory in use. ENERGY: 1718400 4002.1937 20502.7216 14590.1832 249.4613 -202992.2916 2546.5362 0.0000 0.0000 52041.2068 -109059.9888 299.0815 -161101.1956 -108689.2703 299.7589 -218.9461 -198.1512 763681.1127 -23.7460 -23.7765 PRESSURE: 1718600 -148.601 -37.2099 -63.4742 -37.2092 -83.6551 112.65 -63.4744 112.651 -12.1563 GPRESSURE: 1718600 -149.661 -3.30169 -117.378 -76.6767 -56.2125 189.155 -36.3955 109.386 65.6073 PRESSAVG: 1718600 27.4893 -0.768305 14.1047 -0.768306 1.63022 36.7021 14.1047 36.7022 9.04389 GPRESSAVG: 1718600 26.9239 -0.67104 12.9026 1.47681 1.44065 35.5377 14.0023 36.2685 10.151 TIMING: 1718600 CPU: 5434.03, 0.00317067/step Wall: 5434.03, 0.00317067/step, 2.89006 hours remaining, 236.152344 MB of memory in use. ENERGY: 1718600 4012.4929 20493.9757 14578.5676 261.9766 -203139.0922 2651.5728 0.0000 0.0000 52035.4748 -109105.0319 299.0486 -161140.5067 -108736.0318 299.7361 -81.4709 -46.7555 761737.9086 12.7211 12.8385 PRESSURE: 1718800 -236.808 13.5776 -194.652 13.5775 -411.044 -30.8466 -194.652 -30.8475 489.106 GPRESSURE: 1718800 -183.104 -12.6222 -172.287 50.658 -335.508 -53.8719 -113.258 -90.3762 456.89 PRESSAVG: 1718800 -1.4906 -41.5401 20.9307 -41.5401 17.1027 8.08061 20.9306 8.0807 2.95688 GPRESSAVG: 1718800 -0.961628 -41.6403 20.9822 -42.2684 17.1704 8.37495 21.2153 7.27659 2.09742 TIMING: 1718800 CPU: 5434.66, 0.00316141/step Wall: 5434.66, 0.00316141/step, 2.88145 hours remaining, 236.152344 MB of memory in use. ENERGY: 1718800 3987.9563 20625.7841 14631.0936 236.7173 -203301.0581 2791.6804 0.0000 0.0000 51912.3609 -109115.4654 298.3411 -161027.8263 -108753.6349 299.4149 -52.9150 -20.5739 762567.7810 6.1897 6.1021 PRESSURE: 1719000 -114.095 -44.4957 252.596 -44.4962 -396.315 115.841 252.597 115.842 -88.6856 GPRESSURE: 1719000 -73.1448 -41.9056 307.803 -45.675 -332.867 109.307 250.573 117.537 -111.329 PRESSAVG: 1719000 55.2362 -16.9323 31.7023 -16.9323 -45.2901 -1.03359 31.7023 -1.03359 16.0156 GPRESSAVG: 1719000 55.0943 -16.1553 32.1119 -17.533 -44.7371 -1.46223 30.38 -0.351732 15.1932 TIMING: 1719000 CPU: 5435.29, 0.00316617/step Wall: 5435.29, 0.00316617/step, 2.88561 hours remaining, 236.152344 MB of memory in use. ENERGY: 1719000 4044.6519 20382.2130 14569.5642 253.7519 -203162.6195 2560.0409 0.0000 0.0000 52048.9986 -109303.3991 299.1263 -161352.3977 -108942.3581 299.2401 -199.6983 -172.4467 763836.1667 8.6539 8.5168 PRESSURE: 1719200 156.234 -62.0006 -192.457 -61.9997 -231.253 142.544 -192.457 142.544 383.37 GPRESSURE: 1719200 159.416 74.7168 -178.686 -127.39 -137.976 144.192 -263.329 234.943 362.68 PRESSAVG: 1719200 8.92978 56.7513 14.211 56.7513 -41.2311 -26.124 14.211 -26.1241 -3.16702 GPRESSAVG: 1719200 8.13232 58.0108 14.6678 56.1516 -40.275 -26.8516 13.8037 -26.7047 -2.80579 TIMING: 1719200 CPU: 5435.93, 0.0031866/step Wall: 5435.93, 0.0031866/step, 2.90406 hours remaining, 236.152344 MB of memory in use. ENERGY: 1719200 3993.9075 20419.8753 14508.3054 263.4806 -203285.5507 2757.9523 0.0000 0.0000 51998.8266 -109343.2030 298.8380 -161342.0296 -108986.5808 298.3271 102.7838 128.0400 762471.9132 -11.8228 -11.6495 PRESSURE: 1719400 -96.5375 7.94569 200.428 7.94471 25.3254 -67.8817 200.427 -67.8822 -6.62653 GPRESSURE: 1719400 -101.466 116.321 182.987 -61.8059 88.6445 21.769 120.965 -40.0429 25.5752 PRESSAVG: 1719400 13.003 23.6332 -30.2291 23.6332 23.9088 63.9591 -30.2291 63.9592 -5.82237 GPRESSAVG: 1719400 12.6228 23.6485 -30.0537 23.0407 23.6223 66.3522 -27.4281 65.0544 -6.0926 TIMING: 1719400 CPU: 5436.57, 0.0031823/step Wall: 5436.57, 0.0031823/step, 2.89996 hours remaining, 236.152344 MB of memory in use. ENERGY: 1719400 3971.5894 20500.9275 14554.2991 243.4614 -203314.3546 2671.9594 0.0000 0.0000 51946.8534 -109425.2644 298.5393 -161372.1178 -109063.5818 298.9680 -25.9462 4.2512 761386.5736 10.3631 10.0508 PRESSURE: 1719600 62.5657 -3.91292 122.973 -3.91289 -257.679 -59.5701 122.973 -59.5702 -190.957 GPRESSURE: 1719600 95.8821 13.38 84.1322 -132.101 -235.872 -16.3001 67.665 20.3674 -165.648 PRESSAVG: 1719600 54.2787 -43.3073 6.39985 -43.3074 -48.1318 38.6721 6.39983 38.6721 18.6337 GPRESSAVG: 1719600 54.5364 -44.2817 6.18491 -43.6217 -49.4764 36.6395 4.4207 38.3308 19.5389 TIMING: 1719600 CPU: 5437.2, 0.00317709/step Wall: 5437.2, 0.00317709/step, 2.89504 hours remaining, 236.152344 MB of memory in use. ENERGY: 1719600 4035.2578 20378.7513 14549.9065 239.5407 -203278.3080 2763.2687 0.0000 0.0000 51876.3057 -109435.2774 298.1338 -161311.5831 -109081.9159 298.7623 -128.6903 -101.8793 760732.2695 8.2602 8.1996 PRESSURE: 1719800 -13.95 162.653 -227.602 162.653 357.707 62.9854 -227.601 62.9833 -222.73 GPRESSURE: 1719800 101.836 168.733 -225.787 181.709 301.678 141.134 -113.825 -26.0316 -203.154 PRESSAVG: 1719800 47.7875 -16.9681 -20.3184 -16.9681 -25.666 32.7411 -20.3184 32.7412 -12.5469 GPRESSAVG: 1719800 47.8653 -16.3609 -19.4624 -16.7209 -25.7438 31.7752 -20.9092 31.9123 -12.9652 TIMING: 1719800 CPU: 5437.83, 0.00316112/step Wall: 5437.83, 0.00316112/step, 2.88031 hours remaining, 236.152344 MB of memory in use. ENERGY: 1719800 3979.8771 20349.2380 14523.5439 233.0449 -203301.3961 2682.8238 0.0000 0.0000 51834.0608 -109698.8075 297.8911 -161532.8683 -109339.0866 298.3978 40.3422 66.7866 761516.3121 3.1916 3.0521 PRESSURE: 1720000 -369.674 181.114 -20.0153 181.113 -128.331 86.668 -20.0148 86.6682 156.279 GPRESSURE: 1720000 -268.155 153.48 -62.8583 115.059 -147.237 74.7222 -2.07091 108.915 160.593 PRESSAVG: 1720000 -39.8676 -24.6752 45.3684 -24.6752 40.4424 24.0339 45.3684 24.0339 0.793232 GPRESSAVG: 1720000 -40.0603 -24.9904 44.4882 -22.1844 40.7844 24.7713 48.1733 27.1932 0.491906 TIMING: 1720000 CPU: 5438.47, 0.00317678/step Wall: 5438.47, 0.00317678/step, 2.8944 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: 1720000 3908.0668 20383.7478 14549.6576 245.3646 -202923.3386 2389.8950 0.0000 0.0000 51898.2036 -109548.4033 298.2597 -161446.6069 -109190.3174 298.4702 -113.9084 -84.9329 760407.4395 0.4560 0.4054 PRESSURE: 1720200 -211.522 197.053 97.9726 197.053 -84.8891 21.4682 97.9719 21.4683 -80.3262 GPRESSURE: 1720200 -146.479 189.54 115.64 154.529 -56.7132 32.4169 -37.5847 35.4252 -112.326 PRESSAVG: 1720200 -28.7382 -23.9076 -7.77252 -23.9076 16.5747 14.8283 -7.77254 14.8283 12.7522 GPRESSAVG: 1720200 -30.4146 -24.9442 -8.52702 -24.5663 16.6993 15.2447 -9.82643 9.78076 13.6151 TIMING: 1720200 CPU: 5439.1, 0.00315863/step Wall: 5439.1, 0.00315863/step, 2.87769 hours remaining, 236.152344 MB of memory in use. ENERGY: 1720200 3893.6546 20397.7465 14563.8557 247.6375 -203236.0087 2678.0991 0.0000 0.0000 52124.7020 -109330.3132 299.5614 -161455.0153 -108954.0022 298.8026 -125.5792 -105.1728 761989.3766 0.1962 -0.0334 LDB: ============= START OF LOAD BALANCING ============== 5451.63 LDB: ============== END OF LOAD BALANCING =============== 5451.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5451.63 LDB: ============= START OF LOAD BALANCING ============== 5451.95 LDB: Largest compute 7042 load 0.031667 is 16.2% of average load 0.195366 LDB: Average compute 0.004410 is 2.3% of average load 0.195366 LDB: TIME 5451.96 LOAD: AVG 0.195366 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.652 MB LDB: TIME 5451.96 LOAD: AVG 0.195366 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.859 MB LDB: TIME 5451.96 LOAD: AVG 0.195366 MAX 0.214622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.859 MB LDB: ============== END OF LOAD BALANCING =============== 5451.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5451.96 PRESSURE: 1720400 146.029 -212.36 -124.553 -212.36 19.8305 84.1993 -124.553 84.1987 327.964 GPRESSURE: 1720400 215.16 -118.7 -197.309 -118.726 120.662 110.757 -65.7475 101.968 253.808 PRESSAVG: 1720400 8.12523 14.1268 -23.5885 14.1268 1.3215 7.51825 -23.5884 7.51832 4.67356 GPRESSAVG: 1720400 9.03271 14.3395 -23.6532 14.8975 1.46729 8.48075 -22.7118 8.90033 3.49339 TIMING: 1720400 CPU: 5439.75, 0.00323434/step Wall: 5439.75, 0.00323434/step, 2.94649 hours remaining, 235.246094 MB of memory in use. ENERGY: 1720400 3987.3449 20518.1002 14563.5807 259.4382 -203314.4719 2606.4351 0.0000 0.0000 52067.6032 -109311.9696 299.2332 -161379.5729 -108963.8216 298.7385 164.6080 196.5432 760828.2324 4.7068 4.6645 PRESSURE: 1720600 -248.102 -189.573 -54.5708 -189.574 -44.1128 232.178 -54.5713 232.178 68.4968 GPRESSURE: 1720600 -281.993 -213.51 -39.3242 -324.483 10.2613 143.117 23.099 272.027 129.35 PRESSAVG: 1720600 -10.7614 -26.333 8.47856 -26.333 18.3121 11.918 8.47856 11.9179 -2.5602 GPRESSAVG: 1720600 -10.5011 -26.914 8.84538 -29.2634 18.5052 9.98379 10.0991 15.1243 -3.07526 TIMING: 1720600 CPU: 5440.38, 0.00317544/step Wall: 5440.38, 0.00317544/step, 2.89265 hours remaining, 235.246094 MB of memory in use. ENERGY: 1720600 3997.6571 20433.7141 14559.5468 278.2515 -203124.3055 2667.4313 0.0000 0.0000 51955.8808 -109231.8238 298.5912 -161187.7046 -108875.0376 299.1146 -74.5727 -47.4607 762567.1526 1.6635 1.6429 PRESSURE: 1720800 -79.7538 56.11 -90.7102 56.11 -250.801 162.106 -90.7114 162.105 366.361 GPRESSURE: 1720800 3.74715 179.136 -102.674 167.543 -174.731 77.7931 15.1257 100.624 285.447 PRESSAVG: 1720800 33.1928 -25.8688 6.86311 -25.8688 -16.5457 40.0056 6.863 40.0056 15.3203 GPRESSAVG: 1720800 33.3302 -25.3489 6.48576 -22.6711 -17.6425 39.252 6.38118 37.3215 15.7271 TIMING: 1720800 CPU: 5441.01, 0.00315253/step Wall: 5441.01, 0.00315253/step, 2.87161 hours remaining, 235.394531 MB of memory in use. ENERGY: 1720800 4001.7122 20345.6469 14586.9689 239.7821 -203497.2729 2719.3594 0.0000 0.0000 52146.2612 -109457.5422 299.6853 -161603.8034 -109095.1458 299.3214 11.9353 38.1545 761869.0882 10.6558 10.4716 PRESSURE: 1721000 -205.273 74.9828 -201.271 74.9827 -74.5908 -47.9254 -201.271 -47.9263 -110.06 GPRESSURE: 1721000 -234.121 41.2881 -175.598 83.6848 -50.8574 -90.3283 -216.025 -8.68065 -16.9542 PRESSAVG: 1721000 42.741 -2.49568 -29.2478 -2.49566 -18.5987 70.219 -29.2477 70.2191 30.0011 GPRESSAVG: 1721000 42.3014 -3.06181 -28.5316 -3.28548 -19.0854 72.3829 -29.3997 70.3616 30.7482 TIMING: 1721000 CPU: 5441.65, 0.00317943/step Wall: 5441.65, 0.00317943/step, 2.89593 hours remaining, 235.394531 MB of memory in use. ENERGY: 1721000 3994.8286 20490.7898 14680.1899 249.4715 -203557.2105 2739.4349 0.0000 0.0000 52103.7090 -109298.7868 299.4407 -161402.4958 -108930.4457 299.3635 -129.9747 -100.6443 761172.4301 18.0478 17.9881 PRESSURE: 1721200 -48.7312 -10.0211 -265.901 -10.0207 55.2113 -108.652 -265.9 -108.652 -290.074 GPRESSURE: 1721200 2.22604 -11.6944 -307.05 147.878 83.7054 -179.774 -138.46 -111.413 -274.735 PRESSAVG: 1721200 9.70711 -2.00985 -8.7218 -2.00978 -25.1753 41.1271 -8.7218 41.127 -12.8656 GPRESSAVG: 1721200 9.50474 -2.89755 -9.66017 -1.06002 -24.8507 40.1815 -10.0152 41.7207 -12.6132 TIMING: 1721200 CPU: 5442.28, 0.00315333/step Wall: 5442.28, 0.00315333/step, 2.87198 hours remaining, 235.394531 MB of memory in use. ENERGY: 1721200 4013.5912 20483.2506 14606.8113 266.6680 -203028.5659 2571.8978 0.0000 0.0000 52098.5523 -108987.7947 299.4111 -161086.3470 -108618.3399 299.3394 -94.5314 -62.9344 761840.5044 -9.4446 -9.3197 PRESSURE: 1721400 109.675 139.836 -120.503 139.836 93.1859 42.4975 -120.502 42.4973 -87.2051 GPRESSURE: 1721400 14.3088 176.373 -141.168 61.7649 209.85 6.06449 -71.1671 149.811 -22.3579 PRESSAVG: 1721400 31.2994 -41.1613 -31.4823 -41.1613 -1.97433 15.3336 -31.4823 15.3336 -2.85608 GPRESSAVG: 1721400 31.5528 -38.4115 -30.929 -41.5234 -1.84693 14.7845 -30.7351 14.925 -3.39503 TIMING: 1721400 CPU: 5442.91, 0.00315772/step Wall: 5442.91, 0.00315772/step, 2.87581 hours remaining, 235.394531 MB of memory in use. ENERGY: 1721400 3985.9617 20535.8664 14617.6894 251.2072 -203032.8935 2662.5076 0.0000 0.0000 52098.8235 -108880.8377 299.4127 -160979.6612 -108524.3697 299.8220 38.5519 67.2671 761315.2456 8.8230 8.7703 PRESSURE: 1721600 323.576 -204.903 -39.0405 -204.903 -84.5392 4.36008 -39.0405 4.3604 -54.7999 GPRESSURE: 1721600 320.677 -271.26 -5.15013 -211.765 -13.7552 31.1372 8.9926 28.2225 -44.6077 PRESSAVG: 1721600 -19.18 -22.287 5.07437 -22.2871 -0.692834 1.86551 5.07438 1.86549 -21.7552 GPRESSAVG: 1721600 -20.4199 -25.7151 7.38664 -21.5 -1.25583 3.74594 4.39515 4.27093 -20.7167 TIMING: 1721600 CPU: 5443.54, 0.00314113/step Wall: 5443.54, 0.00314113/step, 2.86053 hours remaining, 235.394531 MB of memory in use. ENERGY: 1721600 3960.4698 20517.1342 14563.4665 245.9508 -202765.0425 2544.9069 0.0000 0.0000 52190.2663 -108742.8480 299.9382 -160933.1143 -108381.8822 300.2665 61.4121 87.4381 761433.1272 -13.8760 -14.1308 PRESSURE: 1721800 -188.723 -84.1807 150.97 -84.1802 -351.228 30.5471 150.97 30.5481 -295.938 GPRESSURE: 1721800 -163.733 -2.97923 92.0286 5.10633 -281.634 58.5321 18.4326 -20.8676 -301.783 PRESSAVG: 1721800 54.0506 -3.39434 -4.56488 -3.39436 -25.3659 30.1548 -4.56482 30.1549 -15.746 GPRESSAVG: 1721800 54.1474 -3.08643 -5.13626 -5.75103 -25.1122 30.8581 -4.92942 24.943 -15.8359 TIMING: 1721800 CPU: 5444.17, 0.00315145/step Wall: 5444.17, 0.00315145/step, 2.86975 hours remaining, 235.394531 MB of memory in use. ENERGY: 1721800 3990.9468 20388.3985 14534.6956 246.9200 -202722.8020 2151.8100 0.0000 0.0000 52419.4805 -108990.5505 301.2555 -161410.0310 -108624.5256 300.2443 -278.6296 -249.0501 760601.5516 4.3129 4.3998 PRESSURE: 1722000 -320.403 -12.9053 94.8776 -12.9054 -132.433 -220.339 94.8769 -220.339 -128.558 GPRESSURE: 1722000 -282.398 56.1227 106.434 -9.50848 -74.2649 -203.399 34.4787 -82.4485 -145.184 PRESSAVG: 1722000 13.2922 -25.4609 23.7893 -25.4609 -44.6989 13.7033 23.7893 13.7034 9.40374 GPRESSAVG: 1722000 14.0474 -24.4756 21.5803 -24.5856 -43.3099 12.6492 24.5422 15.8049 7.68357 TIMING: 1722000 CPU: 5444.8, 0.00316296/step Wall: 5444.8, 0.00316296/step, 2.88005 hours remaining, 235.394531 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: 1722000 4010.7958 20435.4061 14552.5788 267.5277 -202675.2400 2049.1576 0.0000 0.0000 52324.9689 -109034.8052 300.7123 -161359.7741 -108664.9509 300.4104 -193.7981 -167.2825 761315.0250 -7.3343 -7.1930 PRESSURE: 1722200 128.203 227.135 -118.478 227.136 278.556 -0.611395 -118.479 -0.612731 76.2045 GPRESSURE: 1722200 130.233 223.662 -159.467 36.7814 331.965 0.0796123 -98.043 182.465 97.3316 PRESSAVG: 1722200 -16.9744 -14.5301 34.2554 -14.53 -1.94905 -21.029 34.2554 -21.029 -13.5733 GPRESSAVG: 1722200 -17.3796 -13.7832 35.2351 -15.755 -3.07472 -20.9051 33.5646 -19.8781 -11.9125 TIMING: 1722200 CPU: 5445.44, 0.00318452/step Wall: 5445.44, 0.00318452/step, 2.89951 hours remaining, 235.394531 MB of memory in use. ENERGY: 1722200 3977.0265 20596.0222 14566.5942 233.3416 -203333.3799 2437.3347 0.0000 0.0000 52165.0127 -109358.0481 299.7930 -161523.0608 -108999.5260 299.7103 160.9876 186.5101 760861.9468 -10.8323 -10.7889 PRESSURE: 1722400 -88.4012 -3.71116 -59.2351 -3.71202 313.243 144.331 -59.236 144.331 13.4929 GPRESSURE: 1722400 56.3931 93.5093 8.19227 41.1346 304.85 77.5254 -41.7225 33.7301 -23.8506 PRESSAVG: 1722400 39.9844 16.9484 16.8112 16.9484 -15.8484 7.42877 16.8111 7.42872 31.2638 GPRESSAVG: 1722400 40.5115 15.9659 16.4975 18.4712 -15.1316 4.94941 16.7558 8.05897 30.124 TIMING: 1722400 CPU: 5446.07, 0.00317565/step Wall: 5446.07, 0.00317565/step, 2.89126 hours remaining, 235.394531 MB of memory in use. ENERGY: 1722400 3992.1682 20560.9822 14540.8290 250.5772 -203485.2689 2797.8145 0.0000 0.0000 52179.4831 -109163.4147 299.8762 -161342.8977 -108803.3141 299.6701 79.4449 112.4640 760529.8474 18.4666 18.5013 PRESSURE: 1722600 -169.46 71.4371 248.486 71.437 68.9901 20.0428 248.486 20.0426 49.3131 GPRESSURE: 1722600 -81.6843 99.2045 176.226 2.82377 54.6997 -30.8827 161.702 29.556 67.1908 PRESSAVG: 1722600 -38.4318 -43.9152 38.5771 -43.9152 20.0788 -54.4995 38.5771 -54.4993 -0.126467 GPRESSAVG: 1722600 -38.5309 -42.4613 39.8446 -44.5102 20.4775 -52.7015 38.0217 -55.727 -0.415284 TIMING: 1722600 CPU: 5446.71, 0.00315957/step Wall: 5446.71, 0.00315957/step, 2.87644 hours remaining, 235.394531 MB of memory in use. ENERGY: 1722600 4025.2962 20572.6120 14526.1342 255.4218 -203560.4083 2764.0494 0.0000 0.0000 52211.1601 -109205.7345 300.0583 -161416.8946 -108850.0742 299.6071 -17.0521 13.4021 759837.6654 -6.1598 -6.1562 PRESSURE: 1722800 -43.2844 -100.495 23.2084 -100.494 -77.0914 257.11 23.2075 257.11 -128.432 GPRESSURE: 1722800 -33.5253 -87.8316 -65.658 -185.997 -96.9339 303.677 -18.354 119.102 -42.4635 PRESSAVG: 1722800 19.9077 -47.8858 42.772 -47.8858 -0.201592 43.4818 42.772 43.4818 -1.04925 GPRESSAVG: 1722800 19.6444 -49.6422 41.4997 -47.1852 -0.338965 43.4776 43.7581 45.7238 -0.565094 TIMING: 1722800 CPU: 5447.34, 0.00315576/step Wall: 5447.34, 0.00315576/step, 2.87279 hours remaining, 235.394531 MB of memory in use. ENERGY: 1722800 3980.7143 20632.5880 14576.3535 254.7414 -203475.2018 2629.0350 0.0000 0.0000 52108.6921 -109293.0774 299.4694 -161401.7695 -108933.2523 299.3655 -82.9360 -57.6409 760590.6049 6.2189 6.2468 PRESSURE: 1723000 73.2234 -227.261 -92.4771 -227.262 -17.4767 343.533 -92.4775 343.533 -186.56 GPRESSURE: 1723000 105.715 -237.504 -54.7313 -148.366 38.1314 158.597 -102.026 400.828 -187.284 PRESSAVG: 1723000 -17.7143 -33.0083 28.1104 -33.0083 -1.87425 -12.8263 28.1103 -12.8263 3.65556 GPRESSAVG: 1723000 -17.7129 -31.691 27.9925 -35.2656 -2.13037 -13.7164 27.5663 -15.0988 3.83321 TIMING: 1723000 CPU: 5447.97, 0.00315005/step Wall: 5447.97, 0.00315005/step, 2.86742 hours remaining, 235.394531 MB of memory in use. ENERGY: 1723000 4039.0642 20667.1356 14549.7987 256.0728 -202954.4945 2238.0101 0.0000 0.0000 52223.8057 -108980.6074 300.1309 -161204.4131 -108627.8653 299.7850 -43.6045 -14.4793 761054.2823 -5.3110 -5.3367 PRESSURE: 1723200 161.321 51.1918 59.2421 51.1918 159.086 -51.1399 59.2413 -51.1398 142.529 GPRESSURE: 1723200 228.887 -65.8965 73.025 60.7051 175.616 25.716 81.0273 -54.5579 140.917 PRESSAVG: 1723200 2.40385 -28.8537 -12.5942 -28.8538 -28.5542 -2.85763 -12.5942 -2.85761 -23.7361 GPRESSAVG: 1723200 2.69925 -28.2589 -12.5608 -28.0932 -27.483 -3.1538 -11.9365 -1.33086 -25.2007 TIMING: 1723200 CPU: 5448.6, 0.00317704/step Wall: 5448.6, 0.00317704/step, 2.89181 hours remaining, 235.382812 MB of memory in use. ENERGY: 1723200 3959.9090 20647.0438 14520.0219 243.4192 -203128.4405 2705.5672 0.0000 0.0000 52098.3038 -108954.1756 299.4097 -161052.4794 -108590.0405 300.3353 154.3120 181.8066 761758.9009 -16.6288 -16.6615 PRESSURE: 1723400 -122.165 -209.912 -138.921 -209.912 86.9012 -47.9806 -138.921 -47.9817 57.0155 GPRESSURE: 1723400 -84.2662 -260.99 -109.264 -114.693 116.955 -24.2874 -54.4868 -41.1988 75.1758 PRESSAVG: 1723400 14.7229 -80.9504 -51.6441 -80.9505 1.99566 16.2836 -51.6441 16.2836 19.2839 GPRESSAVG: 1723400 15.4099 -81.688 -54.2268 -81.0944 0.876104 17.2026 -50.8549 17.2029 19.9483 TIMING: 1723400 CPU: 5449.24, 0.0031723/step Wall: 5449.24, 0.0031723/step, 2.88732 hours remaining, 235.382812 MB of memory in use. ENERGY: 1723400 3998.6448 20352.6725 14633.7301 233.7112 -203249.7906 2675.8627 0.0000 0.0000 52441.0571 -108914.1122 301.3795 -161355.1694 -108543.3647 300.0086 7.2505 35.9548 760332.4428 12.0008 12.0781 PRESSURE: 1723600 -98.8707 -24.6274 -247.031 -24.6279 -181.518 23.5008 -247.032 23.5014 -451.502 GPRESSURE: 1723600 -135.218 6.8372 -289.473 -104.389 -141.717 14.767 -60.3543 3.10061 -376.591 PRESSAVG: 1723600 -24.4502 -55.2101 -24.9135 -55.2101 2.29318 31.6229 -24.9136 31.6229 -14.5924 GPRESSAVG: 1723600 -24.2209 -52.8394 -23.1677 -54.4991 2.04914 32.766 -25.588 28.6739 -14.7682 TIMING: 1723600 CPU: 5449.87, 0.00314936/step Wall: 5449.87, 0.00314936/step, 2.86627 hours remaining, 235.394531 MB of memory in use. ENERGY: 1723600 3980.5716 20550.3034 14545.0411 232.0352 -202905.3328 2330.8318 0.0000 0.0000 52325.2384 -108941.3113 300.7139 -161266.5497 -108587.0203 300.4796 -243.9637 -217.8420 762320.4488 -12.2498 -12.3133 PRESSURE: 1723800 -112.314 68.7864 215.572 68.7876 -1.92009 29.1487 215.572 29.1489 31.3347 GPRESSURE: 1723800 -116.256 76.3718 205.123 28.8008 79.0567 65.2054 164.156 -77.5792 24.9864 PRESSAVG: 1723800 -53.5488 -11.9291 -7.574 -11.929 41.4959 33.7943 -7.57398 33.7943 6.28591 GPRESSAVG: 1723800 -54.0281 -14.6875 -7.54631 -10.7871 41.8246 32.4429 -7.64374 32.8133 5.91369 TIMING: 1723800 CPU: 5450.5, 0.00314493/step Wall: 5450.5, 0.00314493/step, 2.86206 hours remaining, 235.394531 MB of memory in use. ENERGY: 1723800 3958.6745 20633.8181 14579.2946 232.3169 -202708.4950 2260.3652 0.0000 0.0000 51878.5190 -109165.5067 298.1466 -161044.0257 -108802.7888 299.5099 -27.6331 -4.0709 760509.0313 -1.9223 -2.0966 PRESSURE: 1724000 -210.457 -46.461 -66.7629 -46.4609 -6.66679 -118.509 -66.7637 -118.51 -305.766 GPRESSURE: 1724000 -235.606 -89.8296 -95.6505 -139.05 18.7514 -45.9718 -44.2056 -132.876 -236.273 PRESSAVG: 1724000 -9.87198 -28.1331 46.0118 -28.1331 -14.2166 11.6744 46.0117 11.6744 5.16904 GPRESSAVG: 1724000 -11.5708 -27.862 48.4826 -29.8734 -13.827 12.5242 43.717 14.8649 6.2311 TIMING: 1724000 CPU: 5451.13, 0.00317383/step Wall: 5451.13, 0.00317383/step, 2.88818 hours remaining, 235.394531 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: 1724000 3959.9474 20552.2756 14537.6446 242.2192 -202723.3456 2188.3855 0.0000 0.0000 52099.8034 -109143.0699 299.4183 -161242.8733 -108772.1275 299.7350 -174.2965 -151.0425 761721.1754 -6.3065 -6.3889 PRESSURE: 1724200 -21.2678 -51.981 -109.492 -51.9812 -154.819 -203.682 -109.492 -203.682 -10.1575 GPRESSURE: 1724200 -29.6884 -32.7878 -103.068 27.8383 -94.7682 -211.676 -59.9984 -200.976 0.359547 PRESSAVG: 1724200 -12.9945 -4.69528 -13.0064 -4.69523 46.3645 62.3736 -13.0064 62.3737 -11.6691 GPRESSAVG: 1724200 -11.5118 -3.97786 -16.866 -2.76444 45.3531 61.1368 -11.0039 61.0972 -11.9405 TIMING: 1724200 CPU: 5451.76, 0.00316762/step Wall: 5451.76, 0.00316762/step, 2.88236 hours remaining, 235.394531 MB of memory in use. ENERGY: 1724200 3974.6599 20525.6821 14569.0502 244.9252 -203065.9690 2373.8426 0.0000 0.0000 52082.8844 -109294.9246 299.3211 -161377.8090 -108934.2970 299.5158 -62.0815 -41.3657 760935.8492 7.2336 7.3002 LDB: ============= START OF LOAD BALANCING ============== 5464.3 LDB: ============== END OF LOAD BALANCING =============== 5464.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5464.3 LDB: ============= START OF LOAD BALANCING ============== 5464.62 LDB: Largest compute 7037 load 0.031964 is 16.4% of average load 0.195352 LDB: Average compute 0.004407 is 2.3% of average load 0.195352 LDB: TIME 5464.62 LOAD: AVG 0.195352 MAX 0.214458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.684 MB LDB: TIME 5464.62 LOAD: AVG 0.195352 MAX 0.214458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.684 MB LDB: TIME 5464.62 LOAD: AVG 0.195352 MAX 0.214458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.684 MB LDB: ============== END OF LOAD BALANCING =============== 5464.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5464.63 PRESSURE: 1724400 314.177 167.282 218.327 167.281 -287.869 3.73186 218.327 3.73184 -7.07808 GPRESSURE: 1724400 321.531 229.472 211.191 43.8778 -188.141 -0.0520968 132.312 -38.1093 -55.1058 PRESSAVG: 1724400 46.3656 -67.9515 5.44848 -67.9516 -23.9378 -2.32959 5.4485 -2.32964 1.13661 GPRESSAVG: 1724400 46.5362 -68.2947 6.98697 -69.9257 -22.7836 -1.10415 6.46492 -2.52653 -0.0383036 TIMING: 1724400 CPU: 5452.41, 0.0032487/step Wall: 5452.41, 0.0032487/step, 2.95595 hours remaining, 235.519531 MB of memory in use. ENERGY: 1724400 3943.8599 20441.6300 14580.4555 245.7232 -203414.9194 2541.2690 0.0000 0.0000 52286.6016 -109375.3803 300.4918 -161661.9819 -109004.8191 298.9475 6.4100 26.0947 761548.2382 7.8548 7.9048 PRESSURE: 1724600 -403.388 99.4507 -34.4635 99.451 78.7616 -135.505 -34.464 -135.505 51.8178 GPRESSURE: 1724600 -335.066 131.085 -57.0002 119.67 152.5 -50.8429 -35.2353 -108.91 -9.24672 PRESSAVG: 1724600 -16.0357 8.629 39.5218 8.62897 2.30813 -1.90488 39.5217 -1.90487 1.36422 GPRESSAVG: 1724600 -16.5112 7.70531 38.8205 8.69757 1.21344 -3.41284 38.7758 -1.38865 2.7276 TIMING: 1724600 CPU: 5453.05, 0.00319655/step Wall: 5453.05, 0.00319655/step, 2.90833 hours remaining, 235.722656 MB of memory in use. ENERGY: 1724600 3945.5355 20526.0558 14530.0475 255.6347 -203507.7764 2591.5063 0.0000 0.0000 52095.6069 -109563.3896 299.3942 -161658.9965 -109199.1901 299.1454 -90.9361 -63.9373 762177.5769 -4.1211 -4.1900 PRESSURE: 1724800 -307.807 -106.226 -113.86 -106.227 149.729 -77.8933 -113.859 -77.8924 -431.111 GPRESSURE: 1724800 -177.183 -6.1912 -108.268 -19.5043 63.2301 -94.7281 -8.85571 -153.747 -381.154 PRESSAVG: 1724800 6.89177 -18.1211 17.2038 -18.1211 3.03247 -44.0347 17.2039 -44.0347 -1.23558 GPRESSAVG: 1724800 6.6355 -15.8929 17.0855 -15.8568 4.03015 -43.2348 17.2165 -45.6863 -1.97831 TIMING: 1724800 CPU: 5453.69, 0.00317489/step Wall: 5453.69, 0.00317489/step, 2.88845 hours remaining, 235.722656 MB of memory in use. ENERGY: 1724800 3977.6539 20511.9659 14455.1290 261.1809 -203169.9076 2506.6820 0.0000 0.0000 51880.0088 -109577.2871 298.1551 -161457.2959 -109213.0366 298.7777 -196.3964 -165.0358 762954.5788 2.8962 2.8958 PRESSURE: 1725000 -49.2222 -34.3582 -69.3972 -34.3582 71.4748 1.54652 -69.3974 1.54562 125.181 GPRESSURE: 1725000 27.2094 139.238 -117.618 -123.477 13.1555 -37.9896 -125.904 -86.1212 193.767 PRESSAVG: 1725000 10.2271 -2.9093 -1.6217 -2.90932 -2.2624 -30.199 -1.62177 -30.1991 -0.837059 GPRESSAVG: 1725000 10.816 -4.48472 -1.49356 -4.56423 -1.85825 -30.2149 -2.21419 -28.8812 -1.79064 TIMING: 1725000 CPU: 5454.33, 0.00319137/step Wall: 5454.33, 0.00319137/step, 2.90326 hours remaining, 235.722656 MB of memory in use. ENERGY: 1725000 3952.8945 20420.9033 14522.7762 240.7746 -203372.4625 2911.6673 0.0000 0.0000 51556.1441 -109767.3025 296.2939 -161323.4466 -109408.7558 297.7498 49.1444 78.0439 761554.7816 2.3759 2.3890 PRESSURE: 1725200 70.3003 -132.394 -62.1024 -132.395 -264.62 214.362 -62.1025 214.362 -283.909 GPRESSURE: 1725200 86.0869 -125.144 -60.768 -139.25 -178.934 266.343 -16.9313 61.8113 -307.989 PRESSAVG: 1725200 -0.270671 -2.96631 -23.694 -2.96632 -30.3356 -37.8749 -23.694 -37.875 -8.27716 GPRESSAVG: 1725200 -0.196469 -3.78738 -22.8949 -3.21061 -31.1895 -37.1589 -23.3542 -38.1867 -6.91084 TIMING: 1725200 CPU: 5454.96, 0.00318291/step Wall: 5454.96, 0.00318291/step, 2.89539 hours remaining, 235.722656 MB of memory in use. ENERGY: 1725200 4048.6089 20390.6749 14564.4592 267.8282 -203345.4776 2575.4281 0.0000 0.0000 51774.2837 -109724.1946 297.5475 -161498.4783 -109370.1477 298.3085 -159.4094 -133.6121 761538.1926 -12.9611 -12.7656 PRESSURE: 1725400 334.679 -13.6788 -95.9315 -13.678 317.216 26.5343 -95.9314 26.5339 285.277 GPRESSURE: 1725400 347.141 -58.1789 -67.2835 4.74417 364.2 -36.8337 -56.4317 -25.6671 302.838 PRESSAVG: 1725400 -2.5398 -7.68197 -29.0091 -7.68197 -13.0716 -11.1051 -29.0091 -11.105 -3.78367 GPRESSAVG: 1725400 -3.36354 -5.90682 -29.175 -7.60774 -11.6903 -12.1849 -27.9179 -11.0397 -4.65693 TIMING: 1725400 CPU: 5455.6, 0.00317683/step Wall: 5455.6, 0.00317683/step, 2.88968 hours remaining, 235.722656 MB of memory in use. ENERGY: 1725400 4027.8909 20528.0887 14544.7751 241.1496 -203698.1569 2830.6236 0.0000 0.0000 51899.8525 -109625.7766 298.2692 -161525.6291 -109279.3537 298.6139 312.3906 338.0597 759265.0281 -6.4650 -6.5702 PRESSURE: 1725600 54.5674 -137.571 98.5221 -137.571 166.401 44.6736 98.5217 44.6744 -97.7157 GPRESSURE: 1725600 43.6884 -189.437 82.9029 -59.1727 195.112 139.712 84.9691 -103.116 -47.1074 PRESSAVG: 1725600 -83.8097 22.5756 -33.0188 22.5757 66.6727 -11.9167 -33.0188 -11.9168 28.1058 GPRESSAVG: 1725600 -84.214 20.9519 -34.9039 23.0017 66.619 -10.5281 -30.6232 -11.9776 28.526 TIMING: 1725600 CPU: 5456.23, 0.00318317/step Wall: 5456.23, 0.00318317/step, 2.89527 hours remaining, 235.722656 MB of memory in use. ENERGY: 1725600 3963.6506 20568.4953 14464.2551 244.9886 -203481.2701 2575.3202 0.0000 0.0000 52031.5749 -109632.9853 299.0262 -161664.5602 -109265.6362 298.8090 41.0842 63.8977 761544.0135 3.6563 3.6437 PRESSURE: 1725800 -38.6318 117.473 -26.2076 117.473 285.997 -131.621 -26.2069 -131.621 -63.2503 GPRESSURE: 1725800 -28.0492 111.441 -95.2713 93.7164 319.383 -170.164 84.5551 -148.375 -12.0538 PRESSAVG: 1725800 -35.5413 -23.2984 9.54672 -23.2984 29.9458 -26.5522 9.54665 -26.5522 7.34905 GPRESSAVG: 1725800 -36.223 -22.4993 10.3992 -23.7991 29.8096 -27.2896 7.12564 -26.4297 8.48928 TIMING: 1725800 CPU: 5456.87, 0.00318663/step Wall: 5456.87, 0.00318663/step, 2.89824 hours remaining, 235.722656 MB of memory in use. ENERGY: 1725800 4019.3794 20364.6885 14548.1757 256.1932 -203645.6654 2715.4403 0.0000 0.0000 52134.0309 -109607.7574 299.6150 -161741.7883 -109232.1156 298.7539 61.3718 93.0935 760967.6683 0.5845 0.6920 PRESSURE: 1726000 227.578 -115.631 -129.058 -115.63 -62.6079 -47.2705 -129.058 -47.272 -433.024 GPRESSURE: 1726000 135.526 -47.2405 -193.411 -168.328 -45.7544 -72.3114 -104.54 38.0288 -263.869 PRESSAVG: 1726000 -26.0194 -59.366 20.9222 -59.366 61.2629 -0.791861 20.9222 -0.791802 14.9312 GPRESSAVG: 1726000 -25.3603 -58.6314 22.7388 -59.6051 61.5225 -1.77481 19.4816 0.618927 13.9564 TIMING: 1726000 CPU: 5457.51, 0.00317406/step Wall: 5457.51, 0.00317406/step, 2.88663 hours remaining, 235.722656 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: 1726000 4071.5759 20448.4225 14634.3173 247.3515 -203657.5095 2665.3565 0.0000 0.0000 52076.6547 -109513.8312 299.2853 -161590.4859 -109151.2515 298.6822 -89.3510 -58.0322 760215.5420 16.7249 16.7062 PRESSURE: 1726200 97.6238 -39.8033 -47.9028 -39.8036 -26.4991 55.9838 -47.9025 55.9828 -286.722 GPRESSURE: 1726200 154.927 -1.06376 47.5013 -57.8742 9.83324 3.4881 -31.3413 196.317 -293.551 PRESSAVG: 1726200 -22.5599 -40.3311 -66.8409 -40.3311 35.9674 39.2368 -66.8408 39.2367 -17.4615 GPRESSAVG: 1726200 -21.3461 -40.9989 -67.3011 -38.3686 33.6799 39.5398 -67.3331 39.7397 -16.6361 TIMING: 1726200 CPU: 5458.14, 0.00317281/step Wall: 5458.14, 0.00317281/step, 2.88532 hours remaining, 235.722656 MB of memory in use. ENERGY: 1726200 3989.0012 20536.2481 14555.4584 267.3201 -203390.7850 2382.1666 0.0000 0.0000 52085.6541 -109574.9365 299.3370 -161660.5905 -109216.0108 298.9211 -71.8659 -42.9302 761078.6666 -1.3513 -1.4341 PRESSURE: 1726400 34.0705 171.778 -16.9378 171.778 174.97 -28.8961 -16.9384 -28.8959 -44.6833 GPRESSURE: 1726400 91.4875 46.1039 57.2366 -0.014033 120.001 19.421 -6.08424 -44.3705 46.5871 PRESSAVG: 1726400 -43.8858 39.4681 -7.26773 39.4682 31.8654 10.3213 -7.26769 10.3214 -16.997 GPRESSAVG: 1726400 -44.9572 41.4377 -6.95303 35.7423 33.3167 11.7228 -6.94949 8.39095 -17.3907 TIMING: 1726400 CPU: 5458.78, 0.00319804/step Wall: 5458.78, 0.00319804/step, 2.90808 hours remaining, 235.722656 MB of memory in use. ENERGY: 1726400 4021.3843 20543.8012 14538.2777 261.6679 -203430.3681 2707.4009 0.0000 0.0000 51953.9204 -109403.9157 298.5799 -161357.8361 -109050.2891 298.7474 54.7856 86.0251 762539.3952 -9.6725 -9.6771 PRESSURE: 1726600 38.1076 3.02616 -24.0217 3.02598 -103.638 62.2975 -24.0216 62.2967 -211.401 GPRESSURE: 1726600 40.2595 39.4397 -52.9435 -46.4192 -36.9209 76.1925 -29.7732 34.3849 -204.232 PRESSAVG: 1726600 14.4461 -18.1111 -1.64832 -18.111 -61.6138 36.9909 -1.64833 36.9909 1.9764 GPRESSAVG: 1726600 14.6815 -19.2656 -2.64943 -14.8179 -61.1296 36.877 1.86047 37.0416 0.73604 TIMING: 1726600 CPU: 5459.43, 0.00322432/step Wall: 5459.43, 0.00322432/step, 2.93181 hours remaining, 235.722656 MB of memory in use. ENERGY: 1726600 4005.8147 20396.3208 14540.2054 260.5157 -203337.2401 2610.5205 0.0000 0.0000 52103.3557 -109420.5073 299.4387 -161523.8631 -109058.5805 298.9312 -92.3105 -66.9645 763108.4557 -15.0638 -15.2374 PRESSURE: 1726800 -390.456 -51.9334 175.73 -51.9335 -22.3236 -40.5132 175.731 -40.5133 254.096 GPRESSURE: 1726800 -275.373 -131.851 125.68 29.3369 21.4574 -36.237 267.052 -63.1786 195.625 PRESSAVG: 1726800 -7.80909 -12.099 3.66276 -12.0991 10.3955 29.5405 3.66279 29.5405 -2.33026 GPRESSAVG: 1726800 -8.08297 -11.9662 4.06046 -14.9953 10.791 27.8578 3.69083 30.9172 -2.05923 TIMING: 1726800 CPU: 5460.07, 0.0032069/step Wall: 5460.07, 0.0032069/step, 2.91578 hours remaining, 235.722656 MB of memory in use. ENERGY: 1726800 3943.2428 20586.8382 14587.8824 250.1648 -203338.7103 2559.3172 0.0000 0.0000 51861.9783 -109549.2865 298.0515 -161411.2648 -109192.0661 298.9141 -52.8946 -19.4301 760776.1642 0.0854 0.2163 PRESSURE: 1727000 -113.131 -2.11225 76.337 -2.11183 -211.976 182.497 76.3363 182.497 -147.533 GPRESSURE: 1727000 -48.7901 189.018 -18.6724 -83.8 -219.507 213.894 -57.1438 3.85184 -125.01 PRESSAVG: 1727000 -19.499 0.567812 -23.0803 0.567874 -15.3076 21.9457 -23.0803 21.9457 12.9325 GPRESSAVG: 1727000 -19.0217 -0.42974 -23.347 2.05054 -15.2351 22.0125 -25.3259 20.1866 12.2983 TIMING: 1727000 CPU: 5460.7, 0.00318217/step Wall: 5460.7, 0.00318217/step, 2.89312 hours remaining, 235.722656 MB of memory in use. ENERGY: 1727000 3877.5439 20692.8717 14542.9093 247.2550 -203429.6720 2529.9016 0.0000 0.0000 51928.2907 -109610.8999 298.4326 -161539.1906 -109252.7721 299.1169 -157.5469 -131.1022 760519.0101 -7.2914 -7.3195 PRESSURE: 1727200 67.5406 29.8668 -33.5243 29.8663 -132.453 -51.8196 -33.5248 -51.8189 2.40651 GPRESSURE: 1727200 102.703 121.122 8.92882 -39.2852 -62.1475 -35.3821 -11.6434 -22.6429 -14.0456 PRESSAVG: 1727200 -47.734 33.2893 -11.7822 33.2893 78.2248 21.0236 -11.7822 21.0235 -8.12018 GPRESSAVG: 1727200 -49.0696 34.435 -10.1185 33.1377 78.4789 20.8936 -12.1525 22.2247 -7.63298 TIMING: 1727200 CPU: 5461.34, 0.00316726/step Wall: 5461.34, 0.00316726/step, 2.87939 hours remaining, 235.722656 MB of memory in use. ENERGY: 1727200 4006.2434 20545.7897 14476.4032 257.4105 -203889.2880 2757.3227 0.0000 0.0000 52265.6031 -109580.5154 300.3711 -161846.1185 -109225.8647 299.0212 -20.8353 8.8365 760212.1281 7.4569 7.2588 PRESSURE: 1727400 -312.02 -33.9704 128.68 -33.97 -601.945 -75.6133 128.68 -75.614 -22.6886 GPRESSURE: 1727400 -250.026 217.294 100.012 -50.6278 -577.095 -31.8353 148.255 -101.153 -32.4903 PRESSAVG: 1727400 -2.49714 -10.9093 47.0664 -10.9093 -11.7187 4.68766 47.0664 4.68771 -4.27296 GPRESSAVG: 1727400 -1.85524 -9.86765 45.8812 -12.3515 -12.234 4.58407 47.2887 4.98852 -4.21816 TIMING: 1727400 CPU: 5461.97, 0.00317748/step Wall: 5461.97, 0.00317748/step, 2.8885 hours remaining, 235.722656 MB of memory in use. ENERGY: 1727400 3909.0940 20653.7138 14575.9653 249.2920 -203186.0163 2215.0172 0.0000 0.0000 52152.1843 -109430.7497 299.7193 -161582.9341 -109078.1881 299.2517 -312.2181 -286.5371 760658.1150 -6.1629 -6.1025 PRESSURE: 1727600 -236.008 25.05 134.293 25.0493 -20.02 -3.40286 134.293 -3.40223 111.442 GPRESSURE: 1727600 -160.436 47.281 124.148 98.7136 -77.638 -31.5596 -5.82337 43.2877 180.266 PRESSAVG: 1727600 12.608 15.0215 0.377949 15.0215 37.0426 34.4605 0.377923 34.4606 0.94492 GPRESSAVG: 1727600 12.382 14.4731 0.933726 15.6008 36.0513 34.7046 0.363453 33.4012 2.54014 TIMING: 1727600 CPU: 5462.61, 0.00318834/step Wall: 5462.61, 0.00318834/step, 2.8982 hours remaining, 235.722656 MB of memory in use. ENERGY: 1727600 3977.6668 20626.3288 14586.3061 255.7169 -203299.0026 2508.0610 0.0000 0.0000 51973.3571 -109371.5659 298.6916 -161344.9229 -109003.3806 299.4642 -48.1953 -19.2693 760646.2799 16.8652 16.9912 PRESSURE: 1727800 -161.472 4.10785 -83.4219 4.10637 76.3953 -133.396 -83.4222 -133.395 56.3629 GPRESSURE: 1727800 -102.981 14.8918 -137.933 1.05969 89.7046 -88.6836 -9.72774 -77.3212 69.4982 PRESSAVG: 1727800 -33.5872 -26.0451 10.86 -26.0451 44.5341 31.7134 10.86 31.7134 -12.8466 GPRESSAVG: 1727800 -33.4458 -25.8504 9.83967 -25.7924 45.9455 33.0838 12.4608 31.962 -14.5738 TIMING: 1727800 CPU: 5463.24, 0.0031652/step Wall: 5463.24, 0.0031652/step, 2.87699 hours remaining, 235.722656 MB of memory in use. ENERGY: 1727800 4039.3006 20634.7897 14639.5602 265.5103 -203304.1398 2425.3768 0.0000 0.0000 51981.5123 -109318.0899 298.7385 -161299.6022 -108970.1055 299.7898 -9.5714 18.7405 760363.8445 -0.6333 -0.6914 PRESSURE: 1728000 43.889 111.214 7.60792 111.215 56.0365 -51.9949 7.6072 -51.995 326.349 GPRESSURE: 1728000 101.703 216.848 -4.41215 74.4121 68.0192 -134.707 24.9352 -90.9754 341.528 PRESSAVG: 1728000 6.2542 -25.0163 -5.65593 -25.0163 10.2364 12.9734 -5.65589 12.9734 17.8893 GPRESSAVG: 1728000 6.99223 -26.7227 -3.95242 -24.2743 9.57859 12.0774 -8.93519 15.6535 18.323 TIMING: 1728000 CPU: 5463.88, 0.00317459/step Wall: 5463.88, 0.00317459/step, 2.88535 hours remaining, 235.722656 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: 1728000 4020.3500 20792.4020 14521.9663 242.1527 -203519.1736 2644.5936 0.0000 0.0000 52118.8271 -109178.8818 299.5276 -161297.7089 -108829.0963 299.6088 142.0916 170.4169 760111.5599 11.4599 11.6313 PRESSURE: 1728200 -49.2328 -19.8145 -112.948 -19.8152 86.443 40.5469 -112.948 40.5468 10.9329 GPRESSURE: 1728200 59.118 29.5561 -96.8136 72.9798 57.7668 -75.8235 -10.8463 94.5352 4.83286 PRESSAVG: 1728200 51.5711 -26.5194 0.828187 -26.5193 36.3973 -0.724828 0.828153 -0.72483 10.5488 GPRESSAVG: 1728200 50.9723 -25.095 -0.774962 -26.6106 36.8252 -1.92252 2.92994 -2.93203 10.3688 TIMING: 1728200 CPU: 5464.52, 0.0031908/step Wall: 5464.52, 0.0031908/step, 2.89991 hours remaining, 235.722656 MB of memory in use. ENERGY: 1728200 4097.6721 20495.9957 14554.3587 259.5493 -203189.1064 2347.0953 0.0000 0.0000 52035.1827 -109399.2527 299.0469 -161434.4354 -109036.9613 299.5606 16.0477 40.5726 760528.1425 32.8391 32.7221 LDB: ============= START OF LOAD BALANCING ============== 5477.05 LDB: ============== END OF LOAD BALANCING =============== 5477.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5477.05 LDB: ============= START OF LOAD BALANCING ============== 5477.37 LDB: Largest compute 7042 load 0.032243 is 16.5% of average load 0.195476 LDB: Average compute 0.004396 is 2.2% of average load 0.195476 LDB: TIME 5477.37 LOAD: AVG 0.195476 MAX 0.213827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 5477.37 LOAD: AVG 0.195476 MAX 0.213827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 5477.37 LOAD: AVG 0.195476 MAX 0.213827 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 5477.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5477.38 PRESSURE: 1728400 -4.59337 147.959 -175.399 147.96 -35.0837 -24.4639 -175.398 -24.4642 -2.66623 GPRESSURE: 1728400 -69.6561 -63.805 -100.1 90.0928 112.473 24.0736 -219.446 21.8616 7.88512 PRESSAVG: 1728400 -4.74203 -8.53657 -4.37279 -8.53656 11.9336 -9.49943 -4.37276 -9.49947 -0.52829 GPRESSAVG: 1728400 -4.40741 -9.30175 -4.75574 -8.45629 12.4617 -8.87144 -4.72832 -8.11604 -1.33027 TIMING: 1728400 CPU: 5465.16, 0.00324116/step Wall: 5465.16, 0.00324116/step, 2.9455 hours remaining, 236.613281 MB of memory in use. ENERGY: 1728400 4039.5503 20528.9831 14557.6529 243.2776 -203669.2629 2689.0206 0.0000 0.0000 52105.0187 -109505.7597 299.4483 -161610.7784 -109132.8799 299.0816 -14.1144 16.9007 760869.4626 2.2211 2.2413 PRESSURE: 1728600 -279.126 -116.783 97.0286 -116.783 446.517 119.904 97.0278 119.904 -419.46 GPRESSURE: 1728600 -201.157 -223.025 72.481 -162.487 368.159 19.0197 14.4457 86.6798 -335.338 PRESSAVG: 1728600 5.41493 -8.27697 46.5917 -8.27699 41.311 -34.7347 46.5917 -34.7348 -5.65306 GPRESSAVG: 1728600 5.60818 -7.87564 47.6707 -9.67708 40.474 -35.4327 45.6841 -33.9889 -4.83587 TIMING: 1728600 CPU: 5465.8, 0.00317855/step Wall: 5465.8, 0.00317855/step, 2.88842 hours remaining, 236.679688 MB of memory in use. ENERGY: 1728600 4004.8065 20642.2141 14645.3643 242.5110 -203656.5513 2633.6399 0.0000 0.0000 52124.3989 -109363.6165 299.5596 -161488.0154 -109003.2220 298.9376 -84.0233 -56.1118 760319.0112 13.6910 13.7488 PRESSURE: 1728800 134.938 68.316 -90.1492 68.3152 -300.67 -126.942 -90.1491 -126.941 -108.452 GPRESSURE: 1728800 73.0407 -84.2614 -85.6268 131.22 -263.939 -137.529 -90.568 -53.349 9.17882 PRESSAVG: 1728800 46.8082 -64.3802 39.7723 -64.3801 -72.5762 6.48852 39.7722 6.48852 -15.4975 GPRESSAVG: 1728800 46.6978 -65.6788 40.0504 -63.7714 -72.1634 8.45599 41.2737 4.11152 -15.4493 TIMING: 1728800 CPU: 5466.43, 0.00314712/step Wall: 5466.43, 0.00314712/step, 2.85968 hours remaining, 236.679688 MB of memory in use. ENERGY: 1728800 3965.8543 20584.6697 14613.9301 274.3069 -203182.2287 2414.8302 0.0000 0.0000 52044.7998 -109283.8378 299.1022 -161328.6376 -108923.3820 299.2869 -91.3948 -60.5731 759275.2773 -13.7552 -13.6383 PRESSURE: 1729000 -342.6 -347.761 132.802 -347.761 72.2037 57.0974 132.802 57.0964 -195.323 GPRESSURE: 1729000 -320.401 -229.203 93.2186 -261.723 61.355 14.3042 183.178 97.7051 -132.435 PRESSAVG: 1729000 50.7893 -20.4549 -5.49246 -20.4549 -70.4938 -36.1361 -5.49242 -36.1361 -11.8917 GPRESSAVG: 1729000 50.5676 -18.059 -6.57738 -19.7371 -70.0175 -35.4674 -4.69607 -35.7016 -12.5504 TIMING: 1729000 CPU: 5467.07, 0.00318308/step Wall: 5467.07, 0.00318308/step, 2.89219 hours remaining, 236.679688 MB of memory in use. ENERGY: 1729000 3936.9620 20532.6159 14550.3353 241.9375 -203112.8742 2556.2141 0.0000 0.0000 52008.0576 -109286.7516 298.8910 -161294.8092 -108924.1807 299.2123 -155.2398 -130.4934 760683.1848 -10.5321 -10.6668 PRESSURE: 1729200 83.1601 -18.0009 85.4295 -18.0014 112.864 220.741 85.4285 220.74 -194.326 GPRESSURE: 1729200 70.1047 66.4821 105.286 -60.7284 231.14 56.1513 175.602 274.325 -207.711 PRESSAVG: 1729200 -38.9868 -85.9176 -35.6932 -85.9175 28.3302 -36.9898 -35.6932 -36.9898 -10.8821 GPRESSAVG: 1729200 -39.3384 -85.9147 -33.6777 -87.1645 27.7321 -38.7291 -38.3753 -35.4297 -9.89658 TIMING: 1729200 CPU: 5467.7, 0.00315425/step Wall: 5467.7, 0.00315425/step, 2.86581 hours remaining, 236.679688 MB of memory in use. ENERGY: 1729200 4051.5934 20522.1937 14587.4786 237.0516 -203631.6282 2664.2291 0.0000 0.0000 52132.1396 -109436.9421 299.6041 -161569.0817 -109071.9229 299.2395 0.5661 31.1779 761577.0337 -7.1796 -7.1676 PRESSURE: 1729400 -138.864 -48.6447 -211.297 -48.645 -119.007 -58.0496 -211.297 -58.0486 -133.641 GPRESSURE: 1729400 -83.6306 -93.5598 -150.16 -150.129 -36.1149 -48.0763 -228.871 72.802 -172.414 PRESSAVG: 1729400 41.5235 -90.4215 -0.862966 -90.4214 -25.7881 4.52377 -0.862948 4.52373 31.87 GPRESSAVG: 1729400 42.0211 -90.6908 -1.86977 -90.7166 -25.7958 4.89083 2.16313 3.31114 31.6062 TIMING: 1729400 CPU: 5468.33, 0.00315406/step Wall: 5468.33, 0.00315406/step, 2.86546 hours remaining, 236.679688 MB of memory in use. ENERGY: 1729400 3983.3393 20649.2882 14493.5703 237.2665 -203296.7676 2586.9018 0.0000 0.0000 51924.6729 -109421.7286 298.4118 -161346.4015 -109059.9181 298.9982 -130.5037 -97.3866 762562.4477 15.8685 15.9438 PRESSURE: 1729600 -74.1303 204.264 56.7559 204.264 -272.072 -40.5311 56.7557 -40.5305 184.864 GPRESSURE: 1729600 -75.8267 287.962 91.712 75.3913 -176.993 -41.0607 71.4579 -59.0068 149.579 PRESSAVG: 1729600 55.8894 4.30691 2.47345 4.30694 -3.59419 -27.2839 2.47345 -27.2839 0.086504 GPRESSAVG: 1729600 55.2847 3.15449 2.03166 5.05041 -3.07768 -26.4347 0.36808 -26.1796 0.00828473 TIMING: 1729600 CPU: 5468.96, 0.00313994/step Wall: 5468.96, 0.00313994/step, 2.85246 hours remaining, 236.679688 MB of memory in use. ENERGY: 1729600 3878.7081 20547.1155 14663.4080 260.9285 -203340.5843 2632.3570 0.0000 0.0000 51831.8765 -109526.1908 297.8785 -161358.0673 -109175.7004 299.0456 -53.7797 -34.4138 762128.3801 17.4606 17.4051 PRESSURE: 1729800 26.1408 45.4196 -47.6496 45.4201 -154.534 32.0768 -47.6495 32.0772 -214.447 GPRESSURE: 1729800 64.1191 67.0467 -37.4091 51.8695 -76.4328 73.2648 -179.112 105.712 -246.924 PRESSAVG: 1729800 2.41089 36.7609 6.01499 36.7609 6.63662 57.2295 6.01509 57.2295 -3.25226 GPRESSAVG: 1729800 2.54698 37.2727 7.89727 36.3717 6.21395 57.7207 5.43301 56.1081 -2.75152 TIMING: 1729800 CPU: 5469.58, 0.00313993/step Wall: 5469.58, 0.00313993/step, 2.85228 hours remaining, 236.679688 MB of memory in use. ENERGY: 1729800 3894.4639 20757.1070 14578.6416 244.7190 -203639.6439 2708.4311 0.0000 0.0000 51864.9956 -109591.2858 298.0688 -161456.2813 -109229.4970 299.0034 -114.2800 -86.4126 761280.3361 1.9318 2.0031 PRESSURE: 1730000 389.339 -158.119 -81.9318 -158.119 139.166 112.39 -81.9315 112.39 21.0864 GPRESSURE: 1730000 425.927 -177.885 -165.862 -59.1474 178.173 84.1065 -84.0259 84.3854 38.2434 PRESSAVG: 1730000 -3.82438 15.9028 -7.29479 15.9027 14.7739 51.2037 -7.29481 51.2038 14.2978 GPRESSAVG: 1730000 -3.4009 15.5959 -9.04371 16.403 15.6954 50.8889 -7.14834 50.4425 13.6978 TIMING: 1730000 CPU: 5470.22, 0.00316922/step Wall: 5470.22, 0.00316922/step, 2.87871 hours remaining, 236.679688 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: 1730000 3949.7940 20520.0006 14651.6633 254.2731 -203617.1984 2679.5632 0.0000 0.0000 51910.7494 -109651.1548 298.3318 -161561.9042 -109287.6148 298.5763 183.1971 214.1147 759843.5999 8.4158 8.6641 PRESSURE: 1730200 136.38 110.031 46.8396 110.031 -200.051 -189.838 46.8401 -189.839 -376.607 GPRESSURE: 1730200 120.5 86.7513 133.52 82.4707 -93.093 -131.626 -52.9603 -154.14 -365.609 PRESSAVG: 1730200 90.8757 -15.4188 12.8172 -15.4187 -32.1558 -11.2412 12.8171 -11.2412 -11.5271 GPRESSAVG: 1730200 89.9615 -16.4408 15.5392 -15.6042 -32.7438 -11.0762 10.8678 -10.0707 -10.8973 TIMING: 1730200 CPU: 5470.85, 0.00314655/step Wall: 5470.85, 0.00314655/step, 2.85794 hours remaining, 236.679688 MB of memory in use. ENERGY: 1730200 3974.3708 20705.5714 14631.3300 247.7240 -203835.5895 2659.7941 0.0000 0.0000 52104.4335 -109512.3658 299.4449 -161616.7993 -109141.6456 298.7139 -146.7590 -112.7338 758879.2239 15.7309 15.4401 PRESSURE: 1730400 12.8339 13.697 9.38818 13.6965 -177.527 92.9412 9.38789 92.9409 -195.944 GPRESSURE: 1730400 -70.0478 -75.0593 -78.5847 24.9808 -188.604 138.676 15.4774 99.9323 -29.9155 PRESSAVG: 1730400 5.4363 -55.3057 2.96433 -55.3057 -13.1533 -24.2908 2.96434 -24.2908 -11.0642 GPRESSAVG: 1730400 5.04668 -54.0408 1.32112 -55.0795 -12.9637 -23.3998 5.07784 -24.8752 -11.1804 TIMING: 1730400 CPU: 5471.48, 0.00316153/step Wall: 5471.48, 0.00316153/step, 2.87137 hours remaining, 236.679688 MB of memory in use. ENERGY: 1730400 4030.1291 20637.8385 14510.2018 254.6626 -203764.6359 2583.9621 0.0000 0.0000 52211.8577 -109535.9842 300.0623 -161747.8419 -109175.6986 299.0756 -120.2125 -96.1891 760052.7786 -6.2604 -6.3658 PRESSURE: 1730600 293.87 100.38 -175.953 100.38 109.557 -144.322 -175.953 -144.322 687.755 GPRESSURE: 1730600 388.907 155.504 -195.157 -7.21994 91.475 -144.408 -55.2491 -116.535 696.221 PRESSAVG: 1730600 44.1923 -39.2067 -19.4637 -39.2067 -43.344 -11.1648 -19.4637 -11.1648 11.3086 GPRESSAVG: 1730600 44.482 -39.4144 -20.096 -39.3836 -43.7373 -10.8771 -21.4837 -10.632 11.4257 TIMING: 1730600 CPU: 5472.11, 0.00313871/step Wall: 5472.11, 0.00313871/step, 2.85047 hours remaining, 236.679688 MB of memory in use. ENERGY: 1730600 3983.5472 20433.8725 14594.0727 248.5297 -203514.7472 2910.3541 0.0000 0.0000 51839.0842 -109505.2869 297.9199 -161344.3710 -109139.4691 299.0699 363.7273 392.2009 760247.8019 4.0523 4.0568 PRESSURE: 1730800 -114.876 -15.7274 125.472 -15.7273 -177.988 32.9405 125.471 32.94 -354.512 GPRESSURE: 1730800 -106.488 48.0919 108.177 -56.5923 -52.6501 59.2245 44.6833 129.089 -403.077 PRESSAVG: 1730800 22.3948 -42.4116 -35.4754 -42.4116 -42.069 24.5679 -35.4754 24.568 -0.567386 GPRESSAVG: 1730800 23.2305 -42.7063 -37.1892 -44.1069 -42.2318 23.2079 -32.7598 23.9927 -1.88011 TIMING: 1730800 CPU: 5472.74, 0.00315936/step Wall: 5472.74, 0.00315936/step, 2.86905 hours remaining, 236.679688 MB of memory in use. ENERGY: 1730800 3903.8084 20608.4924 14553.3478 272.3500 -203466.1629 2568.4217 0.0000 0.0000 52004.3996 -109555.3429 298.8700 -161559.7426 -109188.3755 298.9010 -215.7919 -187.4051 761596.7374 -6.7472 -6.9605 PRESSURE: 1731000 184.101 -305.934 -140.408 -305.935 68.314 24.4671 -140.408 24.466 0.929665 GPRESSURE: 1731000 252.736 -264.86 -124.226 -134.77 29.2657 139.656 -56.1258 0.988686 42.796 PRESSAVG: 1731000 -22.3407 -64.9199 17.6415 -64.9199 48.5055 -53.3081 17.6415 -53.3081 16.7842 GPRESSAVG: 1731000 -23.0461 -65.0804 19.6397 -64.2449 47.4093 -52.8226 17.2963 -52.4372 18.1418 TIMING: 1731000 CPU: 5473.37, 0.0031704/step Wall: 5473.37, 0.0031704/step, 2.8789 hours remaining, 236.679688 MB of memory in use. ENERGY: 1731000 3951.0806 20635.8895 14503.4323 251.4992 -203380.7338 2649.5086 0.0000 0.0000 51861.1000 -109528.2235 298.0465 -161389.3234 -109164.8905 298.5561 84.4482 108.2658 760787.7665 14.3164 14.1683 PRESSURE: 1731200 218.861 21.108 166.032 21.1084 313.898 -266.789 166.032 -266.789 489.582 GPRESSURE: 1731200 325.274 -20.6054 86.148 6.08585 293.256 -222.068 78.3422 -362.777 506.408 PRESSAVG: 1731200 40.1063 -65.123 4.3032 -65.123 -41.9471 -47.7984 4.30327 -47.7982 35.3559 GPRESSAVG: 1731200 41.7146 -65.6237 4.41815 -64.4719 -41.8914 -48.3079 2.36556 -50.6192 33.7679 TIMING: 1731200 CPU: 5474.01, 0.00316586/step Wall: 5474.01, 0.00316586/step, 2.8746 hours remaining, 236.679688 MB of memory in use. ENERGY: 1731200 3947.1643 20648.6661 14578.5949 252.9109 -203693.2037 2830.5965 0.0000 0.0000 51946.7463 -109488.5246 298.5387 -161435.2709 -109134.5202 298.5091 340.7800 374.9794 761105.8093 11.1717 11.1970 PRESSURE: 1731400 -124.17 58.2889 343.032 58.2889 31.8289 -178.741 343.031 -178.742 -81.1834 GPRESSURE: 1731400 -16.9169 85.3566 313.779 49.9552 43.0259 -118.173 257.182 -120.847 -102.878 PRESSAVG: 1731400 -13.204 -27.1878 -44.3589 -27.1878 -21.5372 -39.0662 -44.3589 -39.0661 -10.8446 GPRESSAVG: 1731400 -14.5601 -25.0439 -43.8088 -26.6504 -20.2685 -39.3856 -42.1292 -36.9788 -10.7841 TIMING: 1731400 CPU: 5474.64, 0.00316237/step Wall: 5474.64, 0.00316237/step, 2.87125 hours remaining, 236.679688 MB of memory in use. ENERGY: 1731400 3927.1820 20506.9320 14574.1250 230.9913 -203597.0582 2849.0812 0.0000 0.0000 52002.6410 -109506.1056 298.8599 -161508.7466 -109141.3318 298.7599 -57.8417 -25.5898 761635.0887 -15.1952 -15.2042 PRESSURE: 1731600 -313.457 -117.077 196.452 -117.078 -246.586 18.4044 196.452 18.4041 -189.274 GPRESSURE: 1731600 -271.803 -202.146 213.849 -126.802 -221.505 -39.3583 116.268 44.2191 -180.057 PRESSAVG: 1731600 12.7107 15.9185 3.97286 15.9185 -14.867 -9.98116 3.97286 -9.98119 -0.531821 GPRESSAVG: 1731600 13.1359 15.0147 1.13851 16.8893 -15.4657 -9.8821 2.88003 -8.55709 -0.0909707 TIMING: 1731600 CPU: 5475.27, 0.00315582/step Wall: 5475.27, 0.00315582/step, 2.86513 hours remaining, 236.679688 MB of memory in use. ENERGY: 1731600 3977.0100 20500.4774 14496.7019 259.1869 -203353.8616 2343.3818 0.0000 0.0000 52253.2418 -109523.8616 300.3001 -161777.1035 -109157.4280 299.0483 -249.7722 -224.4550 762586.7474 -0.8961 -0.8069 PRESSURE: 1731800 190.002 1.33831 -10.1135 1.33781 37.1004 25.9286 -10.1135 25.9292 -7.18114 GPRESSURE: 1731800 161.335 -32.1584 -23.5214 -83.6964 193.387 66.2879 18.6235 -59.7634 -51.7375 PRESSAVG: 1731800 4.23224 8.6315 27.4028 8.63152 -27.408 -0.635089 27.4029 -0.63509 16.6106 GPRESSAVG: 1731800 4.65834 7.70755 28.5619 6.63217 -26.8392 -0.892978 27.2593 -0.0940136 15.2875 TIMING: 1731800 CPU: 5475.9, 0.0031663/step Wall: 5475.9, 0.0031663/step, 2.87447 hours remaining, 236.679688 MB of memory in use. ENERGY: 1731800 3965.1691 20526.5499 14466.8282 236.0343 -203844.2411 3057.1074 0.0000 0.0000 52089.6854 -109502.8667 299.3601 -161592.5521 -109139.0409 299.0561 73.3072 100.9948 762409.6785 -2.1884 -2.2978 PRESSURE: 1732000 -239.287 -35.5566 -30.3808 -35.5565 -58.8321 -2.09878 -30.3805 -2.09949 -71.7975 GPRESSURE: 1732000 -102.066 -20.5769 -118.198 -47.1881 -29.0717 -30.847 -48.1181 67.4163 -151.086 PRESSAVG: 1732000 -26.1969 -44.1558 36.7917 -44.1559 4.04708 -25.3752 36.7917 -25.3752 -6.46502 GPRESSAVG: 1732000 -25.9542 -44.0823 35.8606 -43.9734 2.80282 -24.1845 37.4778 -27.9278 -5.26085 TIMING: 1732000 CPU: 5476.54, 0.00317256/step Wall: 5476.54, 0.00317256/step, 2.87998 hours remaining, 236.679688 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: 1732000 3936.3160 20401.9062 14583.4677 248.0104 -203206.9554 2446.0337 0.0000 0.0000 52210.0033 -109381.2181 300.0516 -161591.2214 -109007.2280 298.9501 -123.3056 -94.0748 762926.0715 -9.5383 -9.4707 PRESSURE: 1732200 99.6061 37.9733 109.961 37.9732 312.041 35.3797 109.961 35.379 339.981 GPRESSURE: 1732200 41.5243 -25.4017 105.514 -6.54072 364.848 7.57857 46.3491 147.673 430.437 PRESSAVG: 1732200 -13.2861 -32.73 -7.85912 -32.7299 13.1144 19.6593 -7.85922 19.6593 1.82806 GPRESSAVG: 1732200 -15.0405 -31.7944 -7.03028 -31.2277 13.8487 20.9122 -7.79847 18.8994 2.93139 TIMING: 1732200 CPU: 5477.17, 0.00316555/step Wall: 5477.17, 0.00316555/step, 2.87344 hours remaining, 236.679688 MB of memory in use. ENERGY: 1732200 3945.6468 20506.9415 14585.5904 253.0076 -203278.1397 2789.1392 0.0000 0.0000 51822.8335 -109374.9806 297.8265 -161197.8141 -109018.4891 298.8990 250.5424 278.9366 763798.2360 0.5521 0.5799 LDB: ============= START OF LOAD BALANCING ============== 5489.7 LDB: ============== END OF LOAD BALANCING =============== 5489.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5489.7 LDB: ============= START OF LOAD BALANCING ============== 5490.03 LDB: Largest compute 7042 load 0.033145 is 17.0% of average load 0.195515 LDB: Average compute 0.004376 is 2.2% of average load 0.195515 LDB: TIME 5490.03 LOAD: AVG 0.195515 MAX 0.213313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.355 MB LDB: TIME 5490.03 LOAD: AVG 0.195515 MAX 0.213313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: TIME 5490.03 LOAD: AVG 0.195515 MAX 0.213313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: ============== END OF LOAD BALANCING =============== 5490.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5490.04 PRESSURE: 1732400 -64.6979 -41.7372 178.308 -41.7372 361.249 -101.465 178.308 -101.464 456.772 GPRESSURE: 1732400 -19.9646 25.917 267.518 -136.286 329.766 -26.7949 188.641 11.8384 513.724 PRESSAVG: 1732400 -73.4263 -40.2737 1.59126 -40.2737 70.6295 -3.19748 1.59126 -3.19749 -22.9417 GPRESSAVG: 1732400 -72.3835 -40.3463 2.46654 -41.641 70.0218 -4.38582 1.26687 -2.21087 -23.1101 TIMING: 1732400 CPU: 5477.82, 0.00324032/step Wall: 5477.82, 0.00324032/step, 2.94113 hours remaining, 235.652344 MB of memory in use. ENERGY: 1732400 3971.5161 20451.6214 14545.5982 256.2566 -203503.4412 2920.9345 0.0000 0.0000 52162.7111 -109194.8032 299.7798 -161357.5144 -108838.6372 299.3886 251.1077 274.5084 762474.3948 -8.5795 -8.4906 PRESSURE: 1732600 -108.148 -90.7474 28.754 -90.7484 -70.2209 156.662 28.7537 156.662 -131.694 GPRESSURE: 1732600 -131.708 -119.715 113.281 -128.634 61.3357 169.904 -28.913 186.627 -140.325 PRESSAVG: 1732600 -5.25223 -18.2245 -0.158263 -18.2245 63.6478 -10.9486 -0.158236 -10.9487 1.92422 GPRESSAVG: 1732600 -6.03514 -17.9674 -0.0676955 -17.9175 64.7729 -10.9498 0.320941 -11.5184 1.35747 TIMING: 1732600 CPU: 5478.46, 0.00319781/step Wall: 5478.46, 0.00319781/step, 2.90236 hours remaining, 235.925781 MB of memory in use. ENERGY: 1732600 4000.6207 20517.8085 14571.7569 228.4025 -203155.2852 2665.7431 0.0000 0.0000 52182.5431 -108988.4104 299.8938 -161170.9535 -108629.7018 299.7124 -103.3544 -70.2323 763403.7610 20.1066 20.0317 PRESSURE: 1732800 349.972 -102.05 -61.3143 -102.05 -19.2934 36.5704 -61.3148 36.5703 -129.435 GPRESSURE: 1732800 380.219 -122.907 -85.8441 -117.789 46.0106 12.0195 -58.5536 27.3933 -147.2 PRESSAVG: 1732800 -79.0105 -17.0969 -21.9926 -17.097 61.1926 -4.73294 -21.9926 -4.73296 15.2941 GPRESSAVG: 1732800 -77.7022 -16.7893 -22.1874 -16.0337 61.1637 -5.05969 -21.8835 -6.66138 13.5778 TIMING: 1732800 CPU: 5479.09, 0.00316001/step Wall: 5479.09, 0.00316001/step, 2.86789 hours remaining, 235.925781 MB of memory in use. ENERGY: 1732800 3943.5494 20616.1696 14478.0684 256.4120 -203137.2543 2483.2597 0.0000 0.0000 52155.4903 -109204.3049 299.7383 -161359.7952 -108838.1470 300.0595 67.0815 93.0097 761847.8437 -0.8413 -0.9869 PRESSURE: 1733000 140.506 41.8317 -180.673 41.8321 45.9611 -58.8219 -180.672 -58.8219 -276.519 GPRESSURE: 1733000 132.855 63.5327 -85.0805 8.00364 66.8717 -40.2993 -157.349 -98.307 -218.478 PRESSAVG: 1733000 12.9956 -71.0144 8.47184 -71.0144 -47.3695 7.76093 8.47187 7.76094 -10.2044 GPRESSAVG: 1733000 12.0625 -71.2736 10.0461 -72.2302 -47.9402 7.76872 7.71364 11.2145 -8.79212 TIMING: 1733000 CPU: 5479.72, 0.00316555/step Wall: 5479.72, 0.00316555/step, 2.87274 hours remaining, 235.914062 MB of memory in use. ENERGY: 1733000 4026.1312 20425.0082 14625.3578 238.7441 -203493.0133 2669.0407 0.0000 0.0000 52231.3058 -109277.4255 300.1740 -161508.7313 -108911.8093 299.5967 -30.0173 -6.2505 761394.6256 -14.8594 -14.8899 PRESSURE: 1733200 110.286 -30.5114 144.421 -30.5112 26.0779 -201.175 144.422 -201.175 57.9118 GPRESSURE: 1733200 170.042 19.6802 105.138 -74.3023 59.8926 -207.728 88.5812 -191.392 33.0979 PRESSAVG: 1733200 19.7255 -59.035 36.279 -59.0349 -1.26265 -2.77434 36.279 -2.77427 -2.2124 GPRESSAVG: 1733200 20.112 -58.8694 33.5167 -58.7587 -1.25342 -3.56193 37.3536 -4.22398 -2.13547 TIMING: 1733200 CPU: 5480.35, 0.00315103/step Wall: 5480.35, 0.00315103/step, 2.85938 hours remaining, 235.925781 MB of memory in use. ENERGY: 1733200 3940.5245 20665.6266 14630.5770 249.0641 -203570.7948 2601.8984 0.0000 0.0000 51974.8357 -109508.2684 298.7001 -161483.1041 -109134.9185 299.2276 64.7584 87.6775 759818.1650 5.4168 5.5744 PRESSURE: 1733400 -234.547 -162.618 -196.844 -162.618 -42.292 91.1244 -196.845 91.1243 -82.6714 GPRESSURE: 1733400 -134.186 -254.921 -234.908 -79.464 -34.5966 121.193 -217.103 8.00366 -105.55 PRESSAVG: 1733400 11.381 -40.5569 -46.8544 -40.5569 2.77056 -62.0803 -46.8544 -62.0804 -0.578966 GPRESSAVG: 1733400 11.3281 -41.5319 -46.1517 -39.9156 1.94858 -62.2803 -46.4972 -60.5899 0.860392 TIMING: 1733400 CPU: 5480.99, 0.00316195/step Wall: 5480.99, 0.00316195/step, 2.86912 hours remaining, 235.925781 MB of memory in use. ENERGY: 1733400 3991.9911 20403.6082 14592.7416 244.9090 -203804.5096 2949.2548 0.0000 0.0000 52074.8401 -109547.1649 299.2748 -161622.0050 -109182.4144 298.7333 -119.8367 -91.4441 762905.4637 4.5242 4.7123 PRESSURE: 1733600 -162.096 -186.774 -9.30831 -186.773 47.2013 9.14604 -9.3085 9.14692 282.536 GPRESSURE: 1733600 -119.832 -117.553 69.6961 -74.806 19.2512 -33.6685 19.2336 -21.9659 331.749 PRESSAVG: 1733600 74.9974 -18.0726 -12.5041 -18.0725 -27.5977 33.676 -12.5042 33.676 1.43827 GPRESSAVG: 1733600 72.9524 -18.3901 -11.2712 -20.5985 -26.8122 34.5697 -11.9254 32.0815 2.13529 TIMING: 1733600 CPU: 5481.62, 0.00319134/step Wall: 5481.62, 0.00319134/step, 2.89561 hours remaining, 235.925781 MB of memory in use. ENERGY: 1733600 4031.7306 20614.8891 14544.7170 242.0305 -203681.9710 2680.8856 0.0000 0.0000 52153.4235 -109414.2947 299.7264 -161567.7182 -109054.6091 299.2065 55.8804 77.0561 761112.6893 16.2793 16.0918 PRESSURE: 1733800 376.744 -73.3298 -96.5204 -73.3292 246.637 -225.718 -96.5208 -225.718 -96.4326 GPRESSURE: 1733800 431.464 -221.875 -168.903 -37.8955 252.51 -246.769 -134.582 -171.211 -88.5285 PRESSAVG: 1733800 11.3431 -64.0119 -12.445 -64.0119 -45.3392 29.2778 -12.445 29.2779 19.4619 GPRESSAVG: 1733800 13.4954 -64.1794 -13.9093 -62.3201 -44.8105 29.0537 -14.4553 29.8935 16.3874 TIMING: 1733800 CPU: 5482.26, 0.00316985/step Wall: 5482.26, 0.00316985/step, 2.87594 hours remaining, 235.925781 MB of memory in use. ENERGY: 1733800 3939.1852 20528.6813 14510.7126 255.6896 -203571.6987 2759.1199 0.0000 0.0000 52053.7860 -109524.5240 299.1538 -161578.3100 -109152.7024 298.7408 175.6494 198.4820 760601.0290 -4.8448 -4.9759 PRESSURE: 1734000 -71.1058 97.4399 -63.7772 97.4402 -13.4887 61.1582 -63.7782 61.1589 -19.3973 GPRESSURE: 1734000 -19.9725 25.2656 10.7249 67.6073 -21.4156 34.7487 -77.6947 -22.2092 15.8213 PRESSAVG: 1734000 22.7184 -14.1637 -61.0436 -14.1637 -11.9353 34.4308 -61.0436 34.4309 9.25495 GPRESSAVG: 1734000 22.0125 -14.3479 -60.2611 -14.5735 -13.0524 34.6015 -60.5288 35.3347 10.8917 TIMING: 1734000 CPU: 5482.89, 0.00317011/step Wall: 5482.89, 0.00317011/step, 2.876 hours remaining, 235.925781 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: 1734000 3986.5868 20480.4002 14570.1651 242.3112 -203464.8606 2627.5178 0.0000 0.0000 51948.4088 -109609.4707 298.5482 -161557.8795 -109243.0807 298.5745 -34.6640 -8.5223 762217.8319 6.6793 6.6173 PRESSURE: 1734200 -21.7254 10.0684 86.3664 10.0676 -28.175 50.0405 86.3662 50.0408 74.0317 GPRESSURE: 1734200 28.9143 -46.9151 224.749 -20.5588 8.35339 -26.5252 18.0592 0.467215 64.4205 PRESSAVG: 1734200 -18.0394 -9.44208 27.9875 -9.44211 22.1086 -26.9546 27.9876 -26.9546 20.2006 GPRESSAVG: 1734200 -17.551 -10.8282 28.4536 -8.77944 21.8879 -27.3787 27.5639 -29.0518 20.5215 TIMING: 1734200 CPU: 5483.53, 0.00320818/step Wall: 5483.53, 0.00320818/step, 2.91036 hours remaining, 235.914062 MB of memory in use. ENERGY: 1734200 3872.8428 20685.2657 14510.8324 242.6196 -203455.6343 2671.4603 0.0000 0.0000 51892.5876 -109580.0259 298.2274 -161472.6135 -109225.8420 299.0032 8.0438 33.8961 761850.7201 8.0899 8.2861 PRESSURE: 1734400 220.793 1.02942 -18.3191 1.02954 -8.21884 -98.2532 -18.319 -98.2537 13.7077 GPRESSURE: 1734400 320.947 -45.602 70.9186 -16.3434 0.721457 -60.1963 70.0663 -224.766 -16.7889 PRESSAVG: 1734400 31.6837 -30.1728 -21.9505 -30.1728 -50.2276 -1.56405 -21.9504 -1.56411 -4.58127 GPRESSAVG: 1734400 32.2924 -29.1412 -22.5731 -30.2921 -49.7849 -0.699642 -20.5531 -2.34446 -5.70706 TIMING: 1734400 CPU: 5484.17, 0.00317773/step Wall: 5484.17, 0.00317773/step, 2.88256 hours remaining, 235.925781 MB of memory in use. ENERGY: 1734400 3965.4524 20654.7192 14522.7963 247.6258 -204131.0583 2983.6634 0.0000 0.0000 52213.4115 -109543.3897 300.0712 -161756.8012 -109179.1345 299.1243 75.4272 101.6265 761080.0732 -7.7084 -7.7332 PRESSURE: 1734600 106.707 -38.3723 60.9393 -38.3721 -66.828 158.101 60.9385 158.101 -209.417 GPRESSURE: 1734600 152.53 37.6501 70.4783 20.9871 -64.8541 142.688 106.087 383.38 -161.983 PRESSAVG: 1734600 -11.2603 -1.89671 9.0857 -1.89666 5.59537 57.4083 9.08573 57.4083 -5.54212 GPRESSAVG: 1734600 -12.9222 -1.16229 8.14046 -2.53371 5.54932 57.0148 10.5282 59.6393 -4.01693 TIMING: 1734600 CPU: 5484.8, 0.00317615/step Wall: 5484.8, 0.00317615/step, 2.88094 hours remaining, 235.925781 MB of memory in use. ENERGY: 1734600 4081.8555 20533.6620 14637.4632 238.1785 -203451.9987 2652.2046 0.0000 0.0000 51905.4624 -109403.1726 298.3014 -161308.6349 -109050.2946 298.2740 -56.5127 -24.7692 761822.4750 -3.7357 -3.7966 PRESSURE: 1734800 -21.6285 25.3826 -86.2404 25.3835 309.429 143.624 -86.2405 143.624 -12.6796 GPRESSURE: 1734800 17.7797 35.3646 -101.582 0.637966 294.931 92.4938 -121.422 245.682 55.615 PRESSAVG: 1734800 -1.42364 -8.24931 41.7293 -8.24933 29.9593 3.66366 41.7292 3.6637 5.61157 GPRESSAVG: 1734800 -0.0117567 -7.80151 42.1323 -7.12279 29.528 2.73027 41.392 5.70558 4.70287 TIMING: 1734800 CPU: 5485.44, 0.00317103/step Wall: 5485.44, 0.00317103/step, 2.87612 hours remaining, 235.925781 MB of memory in use. ENERGY: 1734800 4014.2358 20512.9750 14506.5771 273.7621 -203524.1686 2608.6773 0.0000 0.0000 52333.3987 -109274.5424 300.7608 -161607.9412 -108914.4303 299.1048 91.7069 122.7751 761393.8903 11.3824 11.4064 PRESSURE: 1735000 55.5611 6.80568 -121.421 6.80469 -79.7446 75.574 -121.421 75.5744 -170.77 GPRESSURE: 1735000 71.0992 62.7069 -130.652 -66.6978 -32.3821 -8.75543 -114.639 93.123 -141.248 PRESSAVG: 1735000 -0.88898 -61.2474 10.1567 -61.2473 7.0739 13.1782 10.1567 13.1782 1.95124 GPRESSAVG: 1735000 -0.856338 -59.708 10.4549 -63.4327 7.04201 13.7283 8.35688 11.5626 1.91867 TIMING: 1735000 CPU: 5486.07, 0.00316757/step Wall: 5486.07, 0.00316757/step, 2.87281 hours remaining, 235.925781 MB of memory in use. ENERGY: 1735000 4107.3046 20534.3529 14462.6402 224.5828 -203506.6417 2814.2373 0.0000 0.0000 51978.7691 -109384.7550 298.7227 -161363.5241 -109015.6769 299.3815 -64.9844 -34.1769 763734.1254 2.7121 2.7014 PRESSURE: 1735200 -19.7662 -148.388 82.8949 -148.389 -155.647 93.0703 82.8939 93.0718 48.7046 GPRESSURE: 1735200 13.4821 -96.9051 16.2752 -156.266 -108.504 70.0308 173.285 101.436 55.9931 PRESSAVG: 1735200 45.247 -9.36317 -17.606 -9.36323 -25.3331 18.769 -17.606 18.769 -7.68052 GPRESSAVG: 1735200 44.3797 -11.2514 -17.4561 -5.81376 -24.4504 19.0331 -16.8382 18.4924 -7.90375 TIMING: 1735200 CPU: 5486.71, 0.00319656/step Wall: 5486.71, 0.00319656/step, 2.89892 hours remaining, 235.925781 MB of memory in use. ENERGY: 1735200 4015.8254 20683.3324 14484.9751 261.2425 -203458.2422 2502.2672 0.0000 0.0000 52148.8997 -109361.6999 299.7004 -161510.5996 -108994.5480 299.7432 -42.2362 -13.0096 762099.5755 4.0778 4.0085 PRESSURE: 1735400 -1.64208 -48.6156 -251.068 -48.6148 -87.6905 61.0774 -251.067 61.0777 -452.406 GPRESSURE: 1735400 -47.2434 24.7471 -167.082 -38.4115 49.1136 -16.3792 -310.955 96.846 -449.554 PRESSAVG: 1735400 -29.5407 -58.1814 3.74382 -58.1814 16.8132 -5.12047 3.74385 -5.12048 38.3423 GPRESSAVG: 1735400 -29.5699 -57.4013 6.37679 -61.2788 16.82 -4.87206 1.66061 -6.22386 38.2488 TIMING: 1735400 CPU: 5487.34, 0.00316356/step Wall: 5487.34, 0.00316356/step, 2.86882 hours remaining, 235.925781 MB of memory in use. ENERGY: 1735400 3973.7183 20585.1591 14527.4218 242.2516 -203525.3799 2549.1081 0.0000 0.0000 52246.3449 -109401.3761 300.2605 -161647.7211 -109034.0772 299.5137 -180.5795 -149.2278 762239.1876 8.5383 8.4996 PRESSURE: 1735600 285.132 -152.306 257.226 -152.306 179.612 -106.306 257.226 -106.306 282.13 GPRESSURE: 1735600 321.708 -78.7817 263.944 -233.446 199.832 -50.4915 80.0063 -113.086 312.937 PRESSAVG: 1735600 60.5392 -50.5895 18.0115 -50.5895 -70.2858 -27.1036 18.0115 -27.1035 -8.60746 GPRESSAVG: 1735600 60.5469 -53.3488 14.4365 -47.3719 -71.2836 -25.9878 18.7366 -26.4651 -8.00994 TIMING: 1735600 CPU: 5487.98, 0.00316445/step Wall: 5487.98, 0.00316445/step, 2.86945 hours remaining, 235.925781 MB of memory in use. ENERGY: 1735600 4010.2106 20622.1978 14544.0897 242.7336 -203694.6451 2970.8684 0.0000 0.0000 52023.7230 -109280.8220 298.9811 -161304.5450 -108923.5641 299.3090 248.9577 278.1588 762664.7772 -6.1180 -6.2489 PRESSURE: 1735800 -736.103 -199.172 6.58524 -199.173 84.9148 -59.806 6.58579 -59.8067 357.828 GPRESSURE: 1735800 -524.758 -114.273 -43.6593 20.2387 -27.2796 -10.878 -56.4139 -159.888 370.991 PRESSAVG: 1735800 55.1922 -68.7372 -16.0836 -68.7372 -24.771 -2.86758 -16.0836 -2.86759 -8.03262 GPRESSAVG: 1735800 55.7874 -67.5218 -17.0153 -69.5992 -23.3011 -3.52865 -16.3956 -1.53939 -9.7332 TIMING: 1735800 CPU: 5488.61, 0.00315806/step Wall: 5488.61, 0.00315806/step, 2.86348 hours remaining, 235.925781 MB of memory in use. ENERGY: 1735800 4003.9934 20592.7684 14607.8769 257.2991 -203463.2184 2800.9475 0.0000 0.0000 51992.1944 -109208.1387 298.7999 -161200.3331 -108858.0892 299.3235 -97.7867 -60.3488 762739.9035 7.4628 7.5844 PRESSURE: 1736000 76.3638 -64.0741 -39.3317 -64.0747 -349.873 178.243 -39.3308 178.244 -5.33578 GPRESSURE: 1736000 52.822 -99.6538 -84.094 -144.615 -266.212 302.35 47.9892 62.0478 -2.80054 PRESSAVG: 1736000 -10.286 -83.3419 -67.677 -83.342 -44.2714 -26.5568 -67.677 -26.5567 3.43866 GPRESSAVG: 1736000 -11.7824 -82.0199 -65.8285 -85.0248 -44.0351 -27.3545 -66.5734 -26.8333 4.37078 TIMING: 1736000 CPU: 5489.25, 0.00318559/step Wall: 5489.25, 0.00318559/step, 2.88827 hours remaining, 235.925781 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: 1736000 3981.4873 20507.8886 14579.7163 241.7619 -203330.1617 2608.0914 0.0000 0.0000 52212.1819 -109199.0341 300.0641 -161411.2160 -108828.4312 299.3554 -92.9484 -72.0636 762130.4956 -17.0396 -17.1489 PRESSURE: 1736200 -16.0386 41.9678 84.6203 41.9687 221.948 -55.7715 84.6192 -55.7712 297.549 GPRESSURE: 1736200 10.4538 139.892 101.437 21.1757 237.242 -48.5827 75.6943 -40.3553 340.663 PRESSAVG: 1736200 -65.4556 -54.4024 -37.2502 -54.4023 31.5659 -27.3464 -37.2502 -27.3463 -8.02395 GPRESSAVG: 1736200 -65.8087 -53.4898 -36.7108 -54.0409 32.2189 -25.2018 -36.6693 -28.9056 -8.56873 TIMING: 1736200 CPU: 5489.89, 0.00319404/step Wall: 5489.89, 0.00319404/step, 2.89576 hours remaining, 235.925781 MB of memory in use. ENERGY: 1736200 3995.3638 20588.9689 14574.5910 263.6820 -203291.7032 2561.7525 0.0000 0.0000 52085.8925 -109221.4526 299.3383 -161307.3451 -108867.6019 299.6953 167.8196 196.1197 762063.8231 -13.9712 -14.0528 LDB: ============= START OF LOAD BALANCING ============== 5502.42 LDB: ============== END OF LOAD BALANCING =============== 5502.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5502.42 LDB: ============= START OF LOAD BALANCING ============== 5502.74 LDB: Largest compute 7042 load 0.030631 is 15.7% of average load 0.195400 LDB: Average compute 0.004393 is 2.2% of average load 0.195400 LDB: TIME 5502.75 LOAD: AVG 0.1954 MAX 0.213263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.855 MB LDB: TIME 5502.75 LOAD: AVG 0.1954 MAX 0.213263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: TIME 5502.75 LOAD: AVG 0.1954 MAX 0.213263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.062 MB LDB: ============== END OF LOAD BALANCING =============== 5502.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5502.75 PRESSURE: 1736400 -32.4565 -181.913 111.923 -181.914 -134.325 -121.136 111.923 -121.135 -180.432 GPRESSURE: 1736400 3.25531 -248.989 38.4124 -199.743 -47.4861 -133.783 164.178 -38.1136 -207.653 PRESSAVG: 1736400 1.41478 -25.651 -26.1999 -25.651 39.212 1.11151 -26.1999 1.11157 -16.6433 GPRESSAVG: 1736400 2.09938 -28.3536 -25.1437 -23.5316 37.9077 0.859167 -27.2694 2.32739 -15.9132 TIMING: 1736400 CPU: 5490.54, 0.00325978/step Wall: 5490.54, 0.00325978/step, 2.95517 hours remaining, 236.937500 MB of memory in use. ENERGY: 1736400 3945.0183 20410.3047 14646.8415 255.6323 -203334.5785 2730.1481 0.0000 0.0000 52091.7995 -109254.8341 299.3723 -161346.6335 -108879.0710 299.5552 -115.7380 -83.9611 762037.4696 7.9945 8.0313 PRESSURE: 1736600 -409.304 6.2135 -28.2243 6.21339 -361.959 -60.1119 -28.2246 -60.1115 502.054 GPRESSURE: 1736600 -353.526 -131.302 -71.8737 -37.4178 -293.146 -57.3611 -81.3759 -215.568 462.64 PRESSAVG: 1736600 -9.17554 -31.5057 -61.9714 -31.5058 -36.5288 7.69461 -61.9714 7.69458 1.3041 GPRESSAVG: 1736600 -9.82708 -29.2391 -63.0772 -33.9239 -35.4643 6.99396 -60.3615 4.0735 1.28781 TIMING: 1736600 CPU: 5491.18, 0.00319375/step Wall: 5491.18, 0.00319375/step, 2.89514 hours remaining, 237.007812 MB of memory in use. ENERGY: 1736600 3938.7138 20599.3786 14502.6536 253.0353 -202575.5644 2129.0869 0.0000 0.0000 51993.4030 -109159.2932 298.8068 -161152.6962 -108802.2020 299.2885 -89.7365 -61.3438 764362.9097 -14.8001 -14.6678 PRESSURE: 1736800 68.4382 -149.822 -47.1069 -149.822 88.5168 -151.863 -47.1065 -151.861 178.466 GPRESSURE: 1736800 119.434 -50.1236 -17.6347 -62.5625 83.9382 -204.335 -43.7857 -13.8773 203.177 PRESSAVG: 1736800 8.55 -51.0195 -79.0746 -51.0195 -26.296 -46.895 -79.0745 -46.8951 15.1787 GPRESSAVG: 1736800 9.21424 -50.4849 -80.6534 -51.4749 -27.2762 -45.3609 -80.8142 -42.2829 15.7153 TIMING: 1736800 CPU: 5491.81, 0.00318021/step Wall: 5491.81, 0.00318021/step, 2.88268 hours remaining, 237.007812 MB of memory in use. ENERGY: 1736800 3996.9865 20561.6457 14533.1041 261.0771 -203468.1813 2945.3269 0.0000 0.0000 52006.0594 -109163.9814 298.8795 -161170.0409 -108814.2676 298.8305 111.8070 135.5163 761642.2532 -0.8557 -0.7822 PRESSURE: 1737000 -378.441 -20.019 -80.5899 -20.0194 -36.6461 81.3458 -80.5899 81.3454 -445.937 GPRESSURE: 1737000 -252.43 -81.781 57.1555 -114.326 -88.1277 66.737 -119.811 132.576 -430.507 PRESSAVG: 1737000 -11.4789 -3.54854 -83.7631 -3.5485 60.4132 39.6499 -83.7631 39.6499 5.65265 GPRESSAVG: 1737000 -10.2275 -4.62241 -82.8343 -2.45117 60.1828 36.8151 -83.4762 38.3389 4.51104 TIMING: 1737000 CPU: 5492.45, 0.0031901/step Wall: 5492.45, 0.0031901/step, 2.89147 hours remaining, 237.007812 MB of memory in use. ENERGY: 1737000 3984.9097 20547.9361 14484.7960 240.6574 -203202.3166 2543.5054 0.0000 0.0000 52013.9647 -109386.5472 298.9250 -161400.5119 -109021.5005 299.1975 -287.0081 -257.0215 761573.4307 18.1956 18.1555 PRESSURE: 1737200 -100.32 -364.536 84.6375 -364.537 -237.641 260.755 84.6361 260.755 -94.8639 GPRESSURE: 1737200 -231.455 -254.288 173.006 -339.929 -108.011 236.629 54.6608 123.677 11.4896 PRESSAVG: 1737200 -5.53669 -53.2452 -24.469 -53.2452 15.6671 51.7018 -24.469 51.7019 -2.99569 GPRESSAVG: 1737200 -7.10781 -54.0536 -23.8439 -51.9702 15.9648 52.7364 -25.6183 51.834 -1.39572 TIMING: 1737200 CPU: 5493.08, 0.00317003/step Wall: 5493.08, 0.00317003/step, 2.8731 hours remaining, 237.007812 MB of memory in use. ENERGY: 1737200 4045.2905 20672.3307 14460.0382 241.5848 -203056.8253 2182.0731 0.0000 0.0000 52109.6370 -109345.8709 299.4748 -161455.5080 -108986.3445 298.8271 -144.2753 -109.3254 760660.5715 2.3782 2.4871 PRESSURE: 1737400 -87.5651 -39.5593 125.593 -39.5611 -213.328 -10.5118 125.594 -10.5126 129.514 GPRESSURE: 1737400 -75.973 100.523 91.1879 -71.1687 -172.26 -19.3429 115.121 -139.245 154.865 PRESSAVG: 1737400 26.5215 -44.1493 14.2775 -44.1492 -57.7519 -9.01967 14.2776 -9.01976 -10.4647 GPRESSAVG: 1737400 27.1182 -44.3216 13.5236 -45.1176 -57.7778 -9.51129 15.9704 -10.7796 -11.0405 TIMING: 1737400 CPU: 5493.72, 0.00317802/step Wall: 5493.72, 0.00317802/step, 2.88017 hours remaining, 237.007812 MB of memory in use. ENERGY: 1737400 3887.4183 20423.4340 14560.7244 255.3122 -202890.7016 2328.6536 0.0000 0.0000 52166.6338 -109268.5253 299.8024 -161435.1591 -108885.1184 299.2634 -57.1263 -31.1226 762642.6044 -13.8984 -13.9000 PRESSURE: 1737600 -159.557 -107.35 32.1794 -107.35 -394.834 -22.2528 32.1791 -22.2527 126.935 GPRESSURE: 1737600 -185.153 -90.7523 -34.4674 -54.0523 -352.453 -12.3623 29.8056 -5.35422 188.857 PRESSAVG: 1737600 -61.2391 -32.6989 38.2182 -32.699 32.8654 -29.1056 38.2182 -29.1055 -13.5633 GPRESSAVG: 1737600 -60.59 -32.264 36.5536 -32.232 32.1061 -29.2384 37.5616 -26.6195 -13.9932 TIMING: 1737600 CPU: 5494.36, 0.00320244/step Wall: 5494.36, 0.00320244/step, 2.90212 hours remaining, 237.007812 MB of memory in use. ENERGY: 1737600 3986.9944 20708.4667 14580.1484 242.5225 -203245.9285 2419.9793 0.0000 0.0000 52019.2846 -109288.5327 298.9555 -161307.8173 -108941.3029 299.4270 -142.4854 -116.2496 761790.8387 -13.9790 -14.1590 PRESSURE: 1737800 12.044 -109.034 148.68 -109.034 -22.0311 -288.656 148.68 -288.656 -151.374 GPRESSURE: 1737800 17.5896 -22.5155 112.192 -182.928 42.4037 -188.24 188.342 -235.526 -136.937 PRESSAVG: 1737800 -20.9678 -44.8265 17.3471 -44.8264 2.98277 -3.35858 17.3472 -3.35864 11.3741 GPRESSAVG: 1737800 -21.2977 -43.8542 17.6103 -44.8314 3.87479 -1.08539 17.6745 -4.78472 11.1391 TIMING: 1737800 CPU: 5495, 0.0031824/step Wall: 5495, 0.0031824/step, 2.88378 hours remaining, 237.007812 MB of memory in use. ENERGY: 1737800 3937.0833 20375.3554 14607.4595 262.4523 -202994.7281 2498.5181 0.0000 0.0000 52137.0018 -109176.8578 299.6321 -161313.8595 -108803.1310 299.3043 -53.7870 -25.6480 761991.5215 -2.2036 -2.0946 PRESSURE: 1738000 -34.5736 88.4361 -30.3959 88.4356 -22.2256 -36.126 -30.3961 -36.1261 -41.952 GPRESSURE: 1738000 83.2137 51.9071 46.2205 8.31232 -46.3429 -170.908 -40.4533 20.503 -70.122 PRESSAVG: 1738000 -15.5743 -13.8831 -31.8901 -13.8831 -15.6096 3.69853 -31.8901 3.6986 -36.9138 GPRESSAVG: 1738000 -15.9985 -16.3909 -29.9013 -14.9236 -15.5284 3.5436 -30.1876 4.72024 -36.4481 TIMING: 1738000 CPU: 5495.63, 0.00319151/step Wall: 5495.63, 0.00319151/step, 2.89186 hours remaining, 237.007812 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: 1738000 3914.7966 20416.9070 14584.8436 241.2778 -203201.7505 2688.8985 0.0000 0.0000 52172.5946 -109182.4325 299.8366 -161355.0270 -108815.0278 299.0763 -32.9171 -11.0837 761378.2640 -22.6992 -22.6583 PRESSURE: 1738200 -127.416 -3.10017 -218.621 -3.09974 97.1618 164.628 -218.621 164.628 110.291 GPRESSURE: 1738200 -34.6319 -40.0859 -113.245 28.988 72.176 81.7674 -203.823 195.258 102.304 PRESSAVG: 1738200 -6.71246 -16.1052 -6.14618 -16.1053 10.077 -19.6018 -6.14618 -19.6018 -15.2473 GPRESSAVG: 1738200 -5.48329 -14.8491 -8.0392 -15.4124 8.76228 -20.876 -7.51132 -20.3834 -15.5081 TIMING: 1738200 CPU: 5496.27, 0.00317581/step Wall: 5496.27, 0.00317581/step, 2.87746 hours remaining, 237.007812 MB of memory in use. ENERGY: 1738200 3935.2653 20462.5944 14488.6374 266.7649 -203037.1445 2457.1200 0.0000 0.0000 52327.5151 -109099.2474 300.7269 -161426.7624 -108730.7259 299.6793 26.6787 46.6159 760197.6469 -3.9609 -4.0764 PRESSURE: 1738400 -18.898 143.386 116.944 143.385 -333.686 -42.9779 116.944 -42.9786 -190.888 GPRESSURE: 1738400 13.827 112.931 123.374 175.868 -287.135 -61.3177 101.746 -25.5924 -180.489 PRESSAVG: 1738400 -10.1698 17.0131 -2.79921 17.013 25.6509 15.7122 -2.79918 15.7122 14.9198 GPRESSAVG: 1738400 -12.3167 18.803 -1.15104 16.728 26.4285 15.7013 -4.45954 16.8779 16.6216 TIMING: 1738400 CPU: 5496.9, 0.00317402/step Wall: 5496.9, 0.00317402/step, 2.87566 hours remaining, 237.007812 MB of memory in use. ENERGY: 1738400 3960.7382 20435.0378 14592.4345 249.4601 -203038.9599 2523.3442 0.0000 0.0000 52155.6587 -109122.2865 299.7393 -161277.9452 -108751.4597 299.5578 -181.1574 -151.2658 760582.0862 10.1336 10.2444 PRESSURE: 1738600 -86.5463 -7.63793 105.587 -7.63765 -190.941 60.2925 105.587 60.2929 -49.3425 GPRESSURE: 1738600 -58.2956 39.3741 113.489 15.1878 -113.673 -43.2886 65.2633 -12.1228 -72.1442 PRESSAVG: 1738600 -28.4575 -4.06163 40.4109 -4.06165 27.9547 -19.7841 40.4108 -19.7841 -17.3626 GPRESSAVG: 1738600 -27.0463 -4.82543 39.6009 -5.10337 27.3823 -19.3986 41.9604 -20.255 -17.4829 TIMING: 1738600 CPU: 5497.55, 0.00321104/step Wall: 5497.55, 0.00321104/step, 2.90903 hours remaining, 237.007812 MB of memory in use. ENERGY: 1738600 3981.9135 20329.4298 14480.7523 234.4908 -203232.8867 2637.0215 0.0000 0.0000 52242.5228 -109326.7562 300.2385 -161569.2790 -108963.2646 299.2924 -108.9433 -81.3711 761384.9319 -5.9551 -5.7156 PRESSURE: 1738800 166.293 -192.03 -192.962 -192.029 121.019 -367.207 -192.962 -367.207 250.367 GPRESSURE: 1738800 152.301 -122.517 -232.777 -178.468 187.605 -357.43 -121.681 -397.035 281.663 PRESSAVG: 1738800 -5.73927 0.970262 -8.03946 0.970261 -0.266573 -61.5013 -8.03949 -61.5013 8.9843 GPRESSAVG: 1738800 -6.88054 -0.73648 -8.12549 2.8965 1.9534 -61.4552 -9.44384 -63.502 7.73255 TIMING: 1738800 CPU: 5498.18, 0.00317049/step Wall: 5498.18, 0.00317049/step, 2.87211 hours remaining, 237.007812 MB of memory in use. ENERGY: 1738800 4053.1550 20451.7184 14485.8924 243.6917 -203516.9279 2911.4447 0.0000 0.0000 52077.5653 -109293.4603 299.2905 -161371.0256 -108926.2451 299.0467 179.2262 207.1897 760408.5811 0.9928 0.9351 PRESSURE: 1739000 -145.76 97.3533 162.382 97.3544 -68.7058 2.49979 162.382 2.49975 61.3454 GPRESSURE: 1739000 -28.8405 156.247 61.3988 45.447 -115.828 57.1423 135.66 -38.8905 66.7252 PRESSAVG: 1739000 28.5951 20.4596 -1.97741 20.4597 -2.48434 0.217341 -1.97746 0.217283 -12.1034 GPRESSAVG: 1739000 30.0764 21.6505 -1.61121 18.5688 -3.4451 -0.0432751 -2.47051 0.078855 -12.2225 TIMING: 1739000 CPU: 5498.82, 0.0031924/step Wall: 5498.82, 0.0031924/step, 2.89179 hours remaining, 237.007812 MB of memory in use. ENERGY: 1739000 4026.4815 20568.1998 14617.8713 245.3764 -203393.3039 2737.5533 0.0000 0.0000 52046.7441 -109151.0775 299.1134 -161197.8216 -108785.5628 299.2036 -51.0402 -25.9809 761639.2650 4.6691 4.8029 PRESSURE: 1739200 268.094 168.526 176.541 168.527 104.758 90.884 176.54 90.8831 -626.92 GPRESSURE: 1739200 200.511 209.588 179.364 234.559 148.392 128.732 152.073 45.588 -518.046 PRESSAVG: 1739200 13.2149 -1.16935 -10.4985 -1.16941 -41.8071 28.9802 -10.4985 28.9802 10.0697 GPRESSAVG: 1739200 13.3736 -1.08016 -8.83657 -0.991151 -41.6778 29.8388 -9.77258 29.6639 10.086 TIMING: 1739200 CPU: 5499.46, 0.00319588/step Wall: 5499.46, 0.00319588/step, 2.89476 hours remaining, 237.007812 MB of memory in use. ENERGY: 1739200 4134.8623 20421.5516 14507.8023 240.1129 -203148.6467 2713.2878 0.0000 0.0000 51958.1084 -109172.9214 298.6040 -161131.0298 -108816.8524 299.6504 -84.6897 -56.3809 761381.3563 -6.1742 -6.0727 PRESSURE: 1739400 -150.142 125.921 42.073 125.921 -332.997 233.32 42.0733 233.322 9.86079 GPRESSURE: 1739400 -172.979 232.049 63.9474 229.512 -293.094 233.905 47.8895 83.8613 93.5982 PRESSAVG: 1739400 59.7931 40.7282 33.6513 40.7282 -56.2415 43.1723 33.6513 43.1723 -26.5298 GPRESSAVG: 1739400 58.7414 41.1745 32.0133 39.8872 -55.8389 42.9689 32.3315 42.9309 -25.6224 TIMING: 1739400 CPU: 5500.1, 0.00319283/step Wall: 5500.1, 0.00319283/step, 2.89182 hours remaining, 237.007812 MB of memory in use. ENERGY: 1739400 3984.4108 20476.6164 14560.8812 244.1890 -203262.1889 2472.9880 0.0000 0.0000 52019.1645 -109503.9390 298.9549 -161523.1034 -109131.6186 299.3893 -157.7595 -124.1582 762697.2450 -7.6594 -7.5733 PRESSURE: 1739600 50.0792 -99.5402 57.2143 -99.5404 23.5969 -18.504 57.2138 -18.5048 140.897 GPRESSURE: 1739600 59.3565 -163.653 6.78565 -53.7113 35.59 5.78999 44.4153 -34.5902 225.706 PRESSAVG: 1739600 5.83482 -9.49027 29.0468 -9.4903 10.8053 81.9409 29.0468 81.941 -2.59803 GPRESSAVG: 1739600 5.90199 -9.50209 28.1088 -9.67065 11.1506 83.1657 30.4592 81.2201 -3.00922 TIMING: 1739600 CPU: 5500.74, 0.00319548/step Wall: 5500.74, 0.00319548/step, 2.89404 hours remaining, 237.007812 MB of memory in use. ENERGY: 1739600 3951.1360 20677.1429 14514.3464 237.5577 -203578.2910 2751.2010 0.0000 0.0000 51934.4679 -109512.4392 298.4681 -161446.9071 -109152.5576 299.1814 71.5243 106.8843 759876.3708 4.6807 4.6811 PRESSURE: 1739800 269.652 19.2821 -226.172 19.2819 12.4025 -152.98 -226.172 -152.98 -75.3119 GPRESSURE: 1739800 332.995 60.6318 -419.567 -15.1831 29.1479 -204.991 -86.2449 -75.347 -69.3149 PRESSAVG: 1739800 51.9444 -46.0459 -14.5271 -46.0459 4.38912 47.0712 -14.5271 47.0713 -6.71496 GPRESSAVG: 1739800 52.086 -49.41 -14.2855 -44.7289 4.5568 44.5932 -15.8912 50.0597 -6.85542 TIMING: 1739800 CPU: 5501.37, 0.00316075/step Wall: 5501.37, 0.00316075/step, 2.86241 hours remaining, 237.007812 MB of memory in use. ENERGY: 1739800 4047.7595 20407.2359 14598.0674 261.0708 -203471.6374 2647.2759 0.0000 0.0000 51866.7890 -109643.4389 298.0791 -161510.2280 -109281.6910 298.9095 68.9142 97.6093 760124.8871 16.5395 16.5958 PRESSURE: 1740000 -484.951 230.241 -308.68 230.24 -397.728 -55.869 -308.68 -55.8692 -155.086 GPRESSURE: 1740000 -390.31 179.34 -309.312 99.2128 -392.027 -90.5846 -166.617 83.9203 -152.148 PRESSAVG: 1740000 13.4082 14.249 9.42013 14.2491 -28.901 -1.33106 9.42013 -1.33104 2.07638 GPRESSAVG: 1740000 13.2415 14.5509 9.17101 12.4566 -28.5573 -0.509293 11.5694 -2.34523 1.63054 TIMING: 1740000 CPU: 5502.01, 0.00318888/step Wall: 5502.01, 0.00318889/step, 2.88771 hours remaining, 237.007812 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: 1740000 4046.5070 20542.7324 14518.9389 246.2178 -202913.4172 2267.8066 0.0000 0.0000 51775.5739 -109515.6405 297.5549 -161291.2145 -109147.7697 299.1007 -345.9214 -311.4949 761194.5058 -4.4721 -4.5617 PRESSURE: 1740200 -93.0328 -55.6286 -44.3021 -55.6285 -211.35 250.762 -44.3027 250.761 -124.376 GPRESSURE: 1740200 -62.0764 93.5764 95.935 6.41673 -254.715 297.296 -91.9308 210.694 -37.8645 PRESSAVG: 1740200 4.87624 15.4676 -5.60336 15.4676 5.74395 40.4596 -5.60336 40.4596 5.9634 GPRESSAVG: 1740200 4.50475 16.0569 -5.48156 17.0592 4.53727 41.487 -5.79858 38.6633 7.11062 TIMING: 1740200 CPU: 5502.64, 0.00317079/step Wall: 5502.64, 0.00317079/step, 2.87115 hours remaining, 237.007812 MB of memory in use. ENERGY: 1740200 4024.5128 20561.5745 14539.0405 233.1852 -203810.1049 2882.1206 0.0000 0.0000 52098.2129 -109471.4583 299.4091 -161569.6712 -109130.1908 298.7158 -142.9197 -118.2186 761730.2509 5.5279 5.3842 LDB: ============= START OF LOAD BALANCING ============== 5515.17 LDB: ============== END OF LOAD BALANCING =============== 5515.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5515.18 LDB: ============= START OF LOAD BALANCING ============== 5515.49 LDB: Largest compute 7049 load 0.030604 is 15.7% of average load 0.195428 LDB: Average compute 0.004389 is 2.2% of average load 0.195428 LDB: TIME 5515.5 LOAD: AVG 0.195428 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 5515.5 LOAD: AVG 0.195428 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: TIME 5515.5 LOAD: AVG 0.195428 MAX 0.213596 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: ============== END OF LOAD BALANCING =============== 5515.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5515.51 PRESSURE: 1740400 211.3 -32.9063 -37.2596 -32.9059 232.435 -42.6893 -37.259 -42.6896 115.395 GPRESSURE: 1740400 242.283 -83.0124 -62.8651 17.2063 278.138 -74.165 -65.7683 9.60762 109.092 PRESSAVG: 1740400 4.43274 30.5349 13.9077 30.5349 19.8559 52.2548 13.9077 52.2547 -10.8252 GPRESSAVG: 1740400 4.88487 29.2992 14.795 30.7998 18.1634 50.7438 10.4566 53.9673 -10.1936 TIMING: 1740400 CPU: 5503.29, 0.00324681/step Wall: 5503.29, 0.00324681/step, 2.93981 hours remaining, 235.250000 MB of memory in use. ENERGY: 1740400 4047.3701 20433.6222 14442.8016 274.6755 -204297.0200 3230.1221 0.0000 0.0000 52118.8484 -109749.5801 299.5277 -161868.4285 -109384.4676 298.7304 186.3770 209.8375 761725.1943 4.4878 4.2849 PRESSURE: 1740600 28.1667 33.4929 -169.443 33.4932 -120.068 177.559 -169.442 177.559 -46.2426 GPRESSURE: 1740600 71.2391 42.3385 -134.608 -31.6259 -145.681 173.388 -94.9446 93.2379 8.94838 PRESSAVG: 1740600 10.2385 19.4386 12.2902 19.4386 -66.8028 12.841 12.2903 12.8411 9.6253 GPRESSAVG: 1740600 9.35726 20.7576 12.7145 18.9168 -65.0454 15.425 14.694 8.41162 7.96253 TIMING: 1740600 CPU: 5503.93, 0.00317756/step Wall: 5503.93, 0.00317756/step, 2.87693 hours remaining, 235.914062 MB of memory in use. ENERGY: 1740600 4012.2229 20519.6417 14558.6226 255.7101 -203381.4619 2612.4112 0.0000 0.0000 51991.8305 -109431.0230 298.7978 -161422.8534 -109077.9122 298.5399 -46.0479 -21.8313 762516.2605 -15.6463 -15.9086 PRESSURE: 1740800 -107.406 27.117 196.614 27.116 -511.545 -75.2304 196.614 -75.2303 10.7027 GPRESSURE: 1740800 -113.987 78.8288 117.457 67.3896 -360.381 -104.468 137.659 -51.5922 -68.0551 PRESSAVG: 1740800 23.2879 -29.0278 -36.8539 -29.0277 -1.4741 0.49122 -36.8539 0.491224 10.366 GPRESSAVG: 1740800 24.3448 -29.8777 -37.1674 -29.0738 -2.47658 -0.538761 -37.4706 3.82629 10.1602 TIMING: 1740800 CPU: 5504.56, 0.00316448/step Wall: 5504.56, 0.00316448/step, 2.8649 hours remaining, 235.914062 MB of memory in use. ENERGY: 1740800 4065.0957 20596.7613 14513.6785 241.6077 -203589.9865 2731.1081 0.0000 0.0000 52189.9556 -109251.7796 299.9364 -161441.7352 -108883.9757 299.3631 -202.7493 -180.8075 762828.9403 10.7266 10.6762 PRESSURE: 1741000 467.59 27.0495 -49.4868 27.0486 -354.087 20.9867 -49.4868 20.9871 -536.31 GPRESSURE: 1741000 485.721 -12.7153 -84.0837 18.6238 -304.295 87.2241 -26.0392 37.2199 -518.641 PRESSAVG: 1741000 6.29592 -61.456 23.2352 -61.456 -35.002 -15.1271 23.2352 -15.1271 10.0917 GPRESSAVG: 1741000 4.77167 -61.8155 21.1618 -62.0201 -34.3172 -16.9132 25.5803 -14.086 10.799 TIMING: 1741000 CPU: 5505.19, 0.0031815/step Wall: 5505.19, 0.0031815/step, 2.88014 hours remaining, 235.925781 MB of memory in use. ENERGY: 1741000 3982.2335 20475.6713 14532.1752 245.0746 -203098.0437 2462.8876 0.0000 0.0000 52143.8577 -109256.1437 299.6715 -161400.0014 -108890.9498 299.4998 -140.9358 -112.4051 762255.0598 -6.2048 -6.2488 PRESSURE: 1741200 -394.213 -110.002 134.653 -110.001 -144.727 77.5326 134.653 77.5322 50.6532 GPRESSURE: 1741200 -302.75 -139.644 122.194 -71.4271 -147.983 78.6659 173.152 -4.5807 65.3936 PRESSAVG: 1741200 -35.5835 -14.2118 -54.9988 -14.2119 19.55 -66.5478 -54.9989 -66.5478 31.5891 GPRESSAVG: 1741200 -34.2526 -11.6771 -54.2463 -14.7911 19.1627 -63.5615 -55.6576 -69.7636 30.5308 TIMING: 1741200 CPU: 5505.83, 0.00317165/step Wall: 5505.83, 0.00317165/step, 2.87105 hours remaining, 235.925781 MB of memory in use. ENERGY: 1741200 4035.9083 20463.0082 14538.8545 252.9891 -202717.6950 2076.0185 0.0000 0.0000 52149.8389 -109201.0775 299.7058 -161350.9164 -108832.6496 299.7154 -162.7622 -128.4464 761524.3833 5.1852 5.1470 PRESSURE: 1741400 -505.326 -182.828 -32.4223 -182.827 117.958 -53.4994 -32.4212 -53.5015 -492.033 GPRESSURE: 1741400 -410.807 -301.286 0.9235 -1.97212 45.4149 -31.7016 -30.5884 -24.0587 -423.621 PRESSAVG: 1741400 6.2114 -43.86 -92.068 -43.86 -13.3401 -6.96791 -92.068 -6.9679 -23.166 GPRESSAVG: 1741400 5.41437 -46.0893 -91.6781 -42.1558 -13.1376 -7.95686 -92.3186 -6.38604 -22.6717 TIMING: 1741400 CPU: 5506.46, 0.0031574/step Wall: 5506.46, 0.0031574/step, 2.85797 hours remaining, 235.925781 MB of memory in use. ENERGY: 1741400 4094.4302 20771.0644 14524.8745 253.2100 -203163.9292 2285.3055 0.0000 0.0000 52062.2969 -109172.7477 299.2027 -161235.0446 -108819.7372 299.7405 -293.1340 -263.0046 760734.8910 -10.0982 -10.1316 PRESSURE: 1741600 -139.447 -19.2425 -216.722 -19.2426 -31.4583 -39.6331 -216.721 -39.6324 -448.307 GPRESSURE: 1741600 -147.9 25.1175 -176.803 -15.2272 -72.0794 -93.4299 -167.703 -97.9039 -302.308 PRESSAVG: 1741600 17.4216 16.5065 1.26843 16.5064 -1.63599 -10.7871 1.26836 -10.7872 -5.47359 GPRESSAVG: 1741600 17.475 17.8655 0.67873 14.0131 -2.21363 -12.6704 0.129777 -9.61893 -5.04629 TIMING: 1741600 CPU: 5507.09, 0.00316795/step Wall: 5507.09, 0.00316795/step, 2.86735 hours remaining, 235.925781 MB of memory in use. ENERGY: 1741600 4051.7134 20545.5633 14549.6684 268.9788 -202779.0071 2114.9073 0.0000 0.0000 51925.5932 -109322.5828 298.4171 -161248.1760 -108949.2166 299.6815 -206.4041 -174.0958 763246.9555 3.4373 3.4050 PRESSURE: 1741800 143.92 91.6959 -48.1549 91.696 82.8986 35.1497 -48.1553 35.1495 191.739 GPRESSURE: 1741800 140.365 199.552 57.1275 178.236 153.675 36.2402 -171.142 -58.7679 229.527 PRESSAVG: 1741800 15.7018 50.0194 8.82171 50.0194 18.665 -10.0543 8.82167 -10.0543 3.84306 GPRESSAVG: 1741800 16.7943 49.754 9.87587 53.8962 17.8055 -8.64824 8.66245 -10.7581 3.7422 TIMING: 1741800 CPU: 5507.73, 0.00320205/step Wall: 5507.73, 0.00320205/step, 2.89803 hours remaining, 235.925781 MB of memory in use. ENERGY: 1741800 3849.7063 20340.6279 14522.7926 241.6116 -203233.4753 2529.9640 0.0000 0.0000 52417.5932 -109331.1797 301.2446 -161748.7729 -108963.6657 299.3300 139.5190 174.5223 762783.7728 12.7366 12.7806 PRESSURE: 1742000 -670.752 -70.4406 -110.075 -70.4403 -485.853 13.5182 -110.074 13.5184 254.677 GPRESSURE: 1742000 -608.8 97.1823 -198.204 -7.82741 -393.271 11.4719 -92.5381 1.19612 179.768 PRESSAVG: 1742000 -11.4114 29.8061 -47.3393 29.8061 -0.407077 38.9477 -47.3393 38.9477 -4.45627 GPRESSAVG: 1742000 -13.785 29.2285 -48.2469 27.2335 2.02011 38.8846 -46.9425 38.9154 -4.96513 TIMING: 1742000 CPU: 5508.38, 0.00320503/step Wall: 5508.38, 0.00320503/step, 2.90055 hours remaining, 235.925781 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: 1742000 4038.6633 20711.1681 14541.8555 252.4435 -203206.8300 2548.9049 0.0000 0.0000 52062.0003 -109051.7943 299.2010 -161113.7946 -108688.4607 299.4861 -300.6430 -274.1008 762039.9763 -5.4249 -5.5767 PRESSURE: 1742200 254.411 -149.198 -182.685 -149.197 -47.6128 -25.5249 -182.685 -25.525 -91.726 GPRESSURE: 1742200 192.34 -45.5876 -255.185 -63.7886 52.0823 -41.1587 -61.2062 -88.3702 -37.4766 PRESSAVG: 1742200 2.56807 12.7527 -20.1098 12.7527 -46.8439 27.5461 -20.1098 27.5461 1.92966 GPRESSAVG: 1742200 2.24326 11.4042 -20.7735 12.129 -48.6874 27.0145 -19.5011 28.663 4.39516 TIMING: 1742200 CPU: 5509.02, 0.0032114/step Wall: 5509.02, 0.0032114/step, 2.90614 hours remaining, 235.925781 MB of memory in use. ENERGY: 1742200 3937.3179 20719.3352 14536.4407 245.6304 -203093.5482 2454.0459 0.0000 0.0000 52295.0859 -108905.6922 300.5406 -161200.7780 -108541.0176 300.1567 38.3573 68.9820 762103.2935 -14.1154 -14.0163 PRESSURE: 1742400 318.373 78.3229 -28.9613 78.3222 176.226 196.568 -28.9609 196.569 -138.444 GPRESSURE: 1742400 330.889 283.569 73.6595 25.2383 277.402 154.242 62.6641 71.1446 -146.735 PRESSAVG: 1742400 24.6827 -6.28619 38.3599 -6.28617 -6.66567 22.6334 38.3599 22.6335 11.3389 GPRESSAVG: 1742400 26.1293 -5.5922 38.2517 -5.65023 -5.97477 21.6892 37.1077 23.2709 9.17829 TIMING: 1742400 CPU: 5509.65, 0.0031635/step Wall: 5509.65, 0.0031635/step, 2.86261 hours remaining, 235.925781 MB of memory in use. ENERGY: 1742400 3995.7206 20616.1818 14533.0719 228.0841 -203723.2671 3043.2734 0.0000 0.0000 52259.2137 -109047.7217 300.3344 -161306.9354 -108682.1247 300.5228 118.7185 153.8520 761125.0388 9.7853 9.7776 PRESSURE: 1742600 316.557 108.427 194.467 108.426 -205.244 -65.9036 194.466 -65.9031 -29.8376 GPRESSURE: 1742600 184.157 136.705 194.815 143.018 -159.462 -71.3532 183.962 -29.0722 136.522 PRESSAVG: 1742600 -19.5242 64.6842 39.2842 64.6841 25.7285 39.5691 39.2842 39.5691 -2.54536 GPRESSAVG: 1742600 -19.9264 65.274 37.6375 64.4121 25.2982 40.5479 41.4597 37.9396 -1.53174 TIMING: 1742600 CPU: 5510.28, 0.00317051/step Wall: 5510.28, 0.00317051/step, 2.86878 hours remaining, 235.925781 MB of memory in use. ENERGY: 1742600 3960.8615 20568.9115 14564.4902 235.5118 -203330.5362 2567.2199 0.0000 0.0000 52240.6988 -109192.8424 300.2280 -161433.5412 -108830.3295 300.1178 27.1587 53.7392 760597.1135 1.2197 1.2800 PRESSURE: 1742800 -201.75 15.2924 -41.4598 15.2928 65.5788 83.4031 -41.4598 83.4039 370.281 GPRESSURE: 1742800 -96.8363 34.4678 -114.322 -32.1968 110.251 43.3612 -42.7346 100.734 294.907 PRESSAVG: 1742800 62.6009 34.0167 12.7873 34.0167 -17.2856 -6.21743 12.7872 -6.21749 -7.8246 GPRESSAVG: 1742800 62.7831 35.4027 14.4996 34.4689 -18.0083 -5.14663 11.7036 -8.12486 -7.69651 TIMING: 1742800 CPU: 5510.92, 0.00315492/step Wall: 5510.92, 0.00315492/step, 2.8545 hours remaining, 235.925781 MB of memory in use. ENERGY: 1742800 4021.2104 20507.0524 14505.4965 269.8753 -202759.2973 2223.0038 0.0000 0.0000 51998.4758 -109234.1831 298.8360 -161232.6590 -108876.1116 299.8354 78.0366 102.7738 761011.3573 12.4969 12.3594 PRESSURE: 1743000 -146.98 -131.506 -95.8453 -131.506 -486.344 80.4725 -95.8455 80.4728 -27.6767 GPRESSURE: 1743000 -217.003 -137.3 -211.051 -147.224 -310.922 93.6229 -96.9117 136.606 -59.2448 PRESSAVG: 1743000 36.7893 10.5501 -9.60828 10.5501 -58.6665 -6.1968 -9.60831 -6.19685 -34.722 GPRESSAVG: 1743000 36.876 7.33917 -11.071 10.296 -57.86 -5.26025 -9.55576 -3.69824 -35.9964 TIMING: 1743000 CPU: 5511.54, 0.00314492/step Wall: 5511.54, 0.00314492/step, 2.84528 hours remaining, 235.925781 MB of memory in use. ENERGY: 1743000 3965.6730 20444.2690 14529.6587 254.3773 -202790.8309 2320.3674 0.0000 0.0000 52181.0501 -109095.4354 299.8852 -161276.4855 -108713.0063 299.5265 -220.3333 -195.7235 763024.5745 -18.8664 -18.9934 PRESSURE: 1743200 -42.6253 127.855 -5.04135 127.855 -64.919 157.295 -5.04125 157.294 152.726 GPRESSURE: 1743200 -20.763 133.475 -55.1394 28.6559 -1.30506 12.6896 46.985 201.836 171.975 PRESSAVG: 1743200 34.9529 1.70986 15.0922 1.70995 -37.145 20.4978 15.0922 20.4977 -5.62531 GPRESSAVG: 1743200 34.6575 4.42168 16.0609 -0.172258 -37.8116 17.3932 16.5945 19.9673 -5.14679 TIMING: 1743200 CPU: 5512.18, 0.00316002/step Wall: 5512.18, 0.00316002/step, 2.85877 hours remaining, 235.925781 MB of memory in use. ENERGY: 1743200 4040.4989 20475.0018 14561.4975 254.3764 -203318.6849 2601.2928 0.0000 0.0000 52066.5414 -109319.4761 299.2271 -161386.0174 -108953.5936 299.7285 15.0607 49.9690 763433.7252 -2.6058 -2.7670 PRESSURE: 1743400 -14.4823 -161.06 -461.644 -161.06 141.306 22.179 -461.643 22.1784 318.352 GPRESSURE: 1743400 17.3735 -134.753 -393.941 -198.856 188.814 115.436 -455.436 -72.2916 347.799 PRESSAVG: 1743400 -69.8018 21.6187 -20.0997 21.6187 64.943 1.0564 -20.0997 1.05647 -2.45823 GPRESSAVG: 1743400 -68.9496 22.8034 -19.1899 22.7469 63.9127 4.91241 -21.4875 0.782709 -2.25503 TIMING: 1743400 CPU: 5512.8, 0.00313237/step Wall: 5512.8, 0.00313237/step, 2.83358 hours remaining, 235.925781 MB of memory in use. ENERGY: 1743400 4045.5879 20621.1172 14607.5907 237.7297 -203754.1946 2866.7917 0.0000 0.0000 51995.9813 -109379.3960 298.8216 -161375.3774 -109011.7108 299.6252 148.3919 184.6620 762418.5960 -2.4390 -2.4307 PRESSURE: 1743600 -157.081 -65.7118 -119.987 -65.7112 -42.5775 204.913 -119.986 204.915 -530.962 GPRESSURE: 1743600 -207.606 -113.25 -155.934 -78.2913 -22.8819 110.153 38.2876 246.072 -408.958 PRESSAVG: 1743600 39.1115 -3.45353 -47.7284 -3.4534 1.79764 -18.7883 -47.7284 -18.7883 -7.02794 GPRESSAVG: 1743600 38.1429 -5.95086 -49.6407 -2.43968 2.93548 -20.7717 -44.9038 -20.6787 -7.34094 TIMING: 1743600 CPU: 5513.43, 0.00313154/step Wall: 5513.43, 0.00313154/step, 2.83265 hours remaining, 235.925781 MB of memory in use. ENERGY: 1743600 3994.1314 20587.9538 14637.5289 252.5791 -203356.4748 2679.6766 0.0000 0.0000 51877.3742 -109327.2307 298.1400 -161204.6050 -108971.7561 299.1624 -243.5404 -213.1485 763340.1742 11.2937 11.2458 PRESSURE: 1743800 12.6639 -189.063 25.2798 -189.063 213.953 89.5192 25.2799 89.5196 398.517 GPRESSURE: 1743800 129.595 -163.19 -47.9851 -154.132 191.252 -45.8871 -49.6516 209.48 396.792 PRESSAVG: 1743800 12.5812 11.5789 -10.3616 11.5789 -18.946 -45.1855 -10.3617 -45.1855 -3.37201 GPRESSAVG: 1743800 13.8393 11.6832 -8.66448 11.7713 -19.3821 -44.3792 -14.1283 -46.2804 -4.41156 TIMING: 1743800 CPU: 5514.06, 0.00315954/step Wall: 5514.06, 0.00315954/step, 2.8578 hours remaining, 235.925781 MB of memory in use. ENERGY: 1743800 4054.9733 20533.6446 14522.0706 244.1472 -203582.6165 2802.2588 0.0000 0.0000 52186.2635 -109239.2584 299.9152 -161425.5219 -108871.9304 299.0910 208.3781 239.2128 761158.3299 -3.2456 -3.3181 PRESSURE: 1744000 -59.0851 -4.48799 8.76267 -4.48782 41.3485 -64.0584 8.76289 -64.0582 -430.985 GPRESSURE: 1744000 0.0683233 -48.2914 1.0448 36.5275 49.6929 -89.6968 52.7883 -95.2725 -421.307 PRESSAVG: 1744000 8.3727 -30.6663 -10.6864 -30.6662 37.4476 -41.4788 -10.6864 -41.4789 6.57752 GPRESSAVG: 1744000 8.00716 -30.496 -9.97824 -30.7219 36.8388 -42.7731 -10.6856 -40.2168 8.29773 TIMING: 1744000 CPU: 5514.69, 0.00314388/step Wall: 5514.69, 0.00314388/step, 2.84347 hours remaining, 235.925781 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: 1744000 4038.8271 20562.1905 14521.4406 248.2951 -203193.5690 2563.3194 0.0000 0.0000 52166.3580 -109093.1385 299.8008 -161259.4964 -108736.0075 299.6413 -149.5738 -123.8487 763180.9651 17.4659 17.7146 PRESSURE: 1744200 -64.7859 25.6468 -89.2319 25.6474 -427.002 59.3003 -89.2314 59.3007 -227.343 GPRESSURE: 1744200 4.08945 34.7916 -172.915 -127.596 -397.114 97.1022 -65.0709 -171.184 -240.649 PRESSAVG: 1744200 9.23406 -53.2478 -32.0368 -53.2477 -10.1786 16.0156 -32.0368 16.0156 -7.58962 GPRESSAVG: 1744200 9.56403 -53.3677 -33.9943 -55.2072 -10.3763 17.3636 -30.5333 15.2894 -7.70098 TIMING: 1744200 CPU: 5515.32, 0.00315321/step Wall: 5515.32, 0.00315321/step, 2.85172 hours remaining, 235.925781 MB of memory in use. ENERGY: 1744200 3996.7955 20644.9289 14560.2991 234.5200 -203293.4482 2594.1156 0.0000 0.0000 52258.9418 -109003.8472 300.3329 -161262.7891 -108632.2102 299.6012 -239.7103 -211.2246 763186.8626 -2.8447 -2.8377 LDB: ============= START OF LOAD BALANCING ============== 5527.85 LDB: ============== END OF LOAD BALANCING =============== 5527.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5527.86 LDB: ============= START OF LOAD BALANCING ============== 5528.17 LDB: Largest compute 7049 load 0.031717 is 16.2% of average load 0.195414 LDB: Average compute 0.004383 is 2.2% of average load 0.195414 LDB: TIME 5528.17 LOAD: AVG 0.195414 MAX 0.214398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 5528.18 LOAD: AVG 0.195414 MAX 0.214398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 5528.18 LOAD: AVG 0.195414 MAX 0.214398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: ============== END OF LOAD BALANCING =============== 5528.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5528.18 PRESSURE: 1744400 -170.768 -164.412 39.8208 -164.412 55.7266 -100.503 39.8204 -100.503 -9.27162 GPRESSURE: 1744400 -178.534 -99.6818 42.866 -152.647 148.802 -83.0358 -21.3623 -79.6714 0.99294 PRESSAVG: 1744400 -15.8394 -33.0345 -21.9495 -33.0345 -7.37677 24.141 -21.9495 24.141 -16.9249 GPRESSAVG: 1744400 -17.2604 -32.8467 -22.5578 -30.9397 -5.75223 22.8903 -21.9406 25.5768 -16.7989 TIMING: 1744400 CPU: 5515.97, 0.00322393/step Wall: 5515.97, 0.00322393/step, 2.91551 hours remaining, 235.394531 MB of memory in use. ENERGY: 1744400 3984.4564 20620.0753 14543.5316 272.1064 -203207.6833 2637.9729 0.0000 0.0000 52169.5399 -108980.0007 299.8191 -161149.5406 -108612.8471 300.2417 -41.4378 -9.5797 763051.9192 -13.3804 -13.2705 PRESSURE: 1744600 175.611 -33.3473 -18.7521 -33.3477 125.62 -12.7079 -18.7533 -12.7079 87.7517 GPRESSURE: 1744600 169.13 -41.1182 0.571018 107.946 132.377 -61.1426 -36.5715 175.924 176.31 PRESSAVG: 1744600 -23.3963 -24.6249 -37.5798 -24.6249 18.4093 -27.6962 -37.5797 -27.6962 7.41749 GPRESSAVG: 1744600 -23.1921 -22.7122 -35.3336 -24.3428 17.4773 -27.0467 -39.7552 -27.5216 7.99281 TIMING: 1744600 CPU: 5516.6, 0.00315591/step Wall: 5516.6, 0.00315591/step, 2.85382 hours remaining, 235.394531 MB of memory in use. ENERGY: 1744600 3950.4627 20499.8682 14569.3761 254.1940 -202702.0889 2523.1325 0.0000 0.0000 51996.8483 -108908.2070 298.8266 -160905.0553 -108545.4252 299.7449 129.6611 159.2720 763576.2542 0.8102 0.7593 PRESSURE: 1744800 -79.1654 99.8152 -62.9287 99.8141 -253.674 73.3062 -62.9291 73.3062 184.198 GPRESSURE: 1744800 -112.658 9.34058 -9.14211 90.962 -177.536 -7.65324 -80.4657 -151.292 208.345 PRESSAVG: 1744800 -33.9537 10.9444 10.5125 10.9445 37.5683 27.8687 10.5125 27.8686 20.5246 GPRESSAVG: 1744800 -34.2926 11.2253 9.38163 9.67513 38.4274 28.1504 9.07744 27.6488 19.3216 TIMING: 1744800 CPU: 5517.22, 0.00312673/step Wall: 5517.22, 0.00312673/step, 2.82726 hours remaining, 235.394531 MB of memory in use. ENERGY: 1744800 3965.5371 20574.1035 14532.3829 248.0066 -202852.2627 2468.8616 0.0000 0.0000 52239.1046 -108824.2664 300.2189 -161063.3710 -108461.2482 300.0737 -49.5469 -27.2831 762749.9991 8.0464 7.8188 PRESSURE: 1745000 -148.144 120.439 11.9869 120.439 -15.1507 119.62 11.988 119.62 378.23 GPRESSURE: 1745000 -74.3012 103.651 11.888 31.7875 52.8733 151.279 -19.5502 88.3035 332.226 PRESSAVG: 1745000 14.8965 -55.0887 -35.8354 -55.0887 23.5668 14.4864 -35.8354 14.4863 -15.6223 GPRESSAVG: 1745000 16.462 -57.8732 -35.9671 -54.8536 21.081 13.358 -32.4636 13.5684 -14.6413 TIMING: 1745000 CPU: 5517.85, 0.00316237/step Wall: 5517.85, 0.00316237/step, 2.85931 hours remaining, 235.394531 MB of memory in use. ENERGY: 1745000 3952.0325 20407.2655 14519.0967 247.9419 -202750.6422 2435.4674 0.0000 0.0000 52361.4863 -108827.3520 300.9222 -161188.8383 -108454.0625 300.0947 71.6452 103.5995 763919.7482 7.6137 7.6339 PRESSURE: 1745200 -420.33 3.41409 131.511 3.41424 -343.753 130.641 131.51 130.641 35.4689 GPRESSURE: 1745200 -360.905 45.0477 96.4746 27.4338 -255.519 162.532 112.732 25.8427 -23.4972 PRESSAVG: 1745200 5.66469 -29.2587 -37.0832 -29.2587 32.8348 -14.3394 -37.0833 -14.3395 0.435235 GPRESSAVG: 1745200 5.44551 -28.6615 -37.0526 -29.8838 34.0117 -13.0677 -38.1852 -14.2165 -0.559108 TIMING: 1745200 CPU: 5518.49, 0.00316704/step Wall: 5518.49, 0.00316705/step, 2.86336 hours remaining, 235.394531 MB of memory in use. ENERGY: 1745200 4055.6227 20639.8463 14517.2216 244.7187 -203123.3811 2620.2143 0.0000 0.0000 52107.1789 -108938.5786 299.4607 -161045.7575 -108583.3430 299.9298 -242.8715 -213.3070 764285.5841 12.9782 12.9660 PRESSURE: 1745400 -3.1301 -91.2006 -267.639 -91.2006 -29.8046 -104.696 -267.639 -104.696 -295.97 GPRESSURE: 1745400 -3.7484 -95.7876 -251.521 9.93309 -11.1272 -69.9537 -120.181 -170.723 -227.866 PRESSAVG: 1745400 -34.6397 -16.112 -8.05548 -16.112 14.0189 -5.51805 -8.05546 -5.51802 5.11182 GPRESSAVG: 1745400 -35.7147 -14.9025 -7.57731 -16.9824 14.0685 -5.88214 -7.25783 -5.6859 6.01454 TIMING: 1745400 CPU: 5519.12, 0.00314538/step Wall: 5519.12, 0.00314538/step, 2.8436 hours remaining, 235.394531 MB of memory in use. ENERGY: 1745400 3972.5652 20511.9363 14473.6367 237.5397 -203295.9746 2746.9409 0.0000 0.0000 52369.6779 -108983.6779 300.9693 -161353.3559 -108612.3250 299.7109 -109.6349 -80.9138 764118.2467 -5.1697 -5.2106 PRESSURE: 1745600 248.775 -97.1575 71.7792 -97.1574 212.251 59.8349 71.7796 59.8359 19.0251 GPRESSURE: 1745600 271.688 -54.0561 53.9273 -113.701 246.688 140.352 169.987 106.521 52.6733 PRESSAVG: 1745600 23.6073 -0.981688 -15.9966 -0.981768 -68.0089 16.2936 -15.9967 16.2936 -6.26301 GPRESSAVG: 1745600 22.8085 -1.75251 -17.6982 0.305032 -67.5826 17.5296 -15.8237 15.9418 -5.3792 TIMING: 1745600 CPU: 5519.75, 0.00315415/step Wall: 5519.75, 0.00315415/step, 2.85135 hours remaining, 235.394531 MB of memory in use. ENERGY: 1745600 3955.5095 20476.9290 14604.1517 262.2617 -203123.1976 2771.3581 0.0000 0.0000 52037.2442 -109015.7434 299.0588 -161052.9877 -108647.3576 299.7870 160.0168 190.3496 763639.7655 -16.8882 -16.7178 PRESSURE: 1745800 82.2212 176.325 -0.366669 176.324 -175.814 147.549 -0.366657 147.548 -186.199 GPRESSURE: 1745800 113.927 61.1064 -72.7058 92.8087 -71.0455 134.603 -71.4356 80.0022 -253.416 PRESSAVG: 1745800 -13.3187 -2.3362 -6.65636 -2.33624 5.52256 42.4546 -6.65642 42.4546 20.2165 GPRESSAVG: 1745800 -11.5499 -3.19705 -6.71367 -3.57248 5.66293 40.5168 -7.28512 43.958 18.173 TIMING: 1745800 CPU: 5520.38, 0.00314403/step Wall: 5520.38, 0.00314402/step, 2.84202 hours remaining, 235.394531 MB of memory in use. ENERGY: 1745800 3977.7087 20456.8147 14550.1369 242.0121 -203199.5079 2788.4431 0.0000 0.0000 52183.4442 -109000.9481 299.8990 -161184.3923 -108644.9400 299.4148 -93.2639 -70.1784 762567.8839 4.1401 4.0954 PRESSURE: 1746000 362.251 -28.5225 -315.06 -28.5223 188.625 21.1066 -315.06 21.1076 280.205 GPRESSURE: 1746000 416.369 26.1186 -234.897 8.15566 170.826 52.8221 -254.979 99.6778 334.93 PRESSAVG: 1746000 14.9857 12.6649 -10.1099 12.6649 -33.2175 35.7559 -10.1099 35.7559 -3.91368 GPRESSAVG: 1746000 13.9445 12.6561 -9.17182 12.4485 -33.9369 34.7369 -10.8532 35.501 -2.30066 TIMING: 1746000 CPU: 5521.01, 0.00316907/step Wall: 5521.01, 0.00316907/step, 2.86449 hours remaining, 235.394531 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: 1746000 3961.5951 20538.0648 14523.2592 247.7725 -203009.8364 2520.3093 0.0000 0.0000 51927.0210 -109291.8145 298.4253 -161218.8355 -108930.9813 299.0204 277.0269 307.3751 761866.5858 -7.3818 -7.4310 PRESSURE: 1746200 -185.697 -31.4693 171.269 -31.4689 -168.268 119.377 171.268 119.377 -111.902 GPRESSURE: 1746200 -222.85 42.6523 211.602 -15.789 -60.1976 5.69288 190.898 225.234 -113.326 PRESSAVG: 1746200 13.0397 22.1164 20.4254 22.1165 -81.4465 -46.0215 20.4254 -46.0215 -9.16969 GPRESSAVG: 1746200 13.7326 22.8996 21.3402 21.2406 -81.9889 -45.7024 21.2732 -45.7663 -9.17806 TIMING: 1746200 CPU: 5521.64, 0.00315086/step Wall: 5521.64, 0.00315086/step, 2.84785 hours remaining, 235.394531 MB of memory in use. ENERGY: 1746200 4053.9920 20483.2174 14574.1704 258.8746 -203501.8766 2759.3987 0.0000 0.0000 52094.4929 -109277.7306 299.3878 -161372.2235 -108915.7374 299.2792 -155.2889 -132.1244 760808.0710 -25.8588 -25.8114 PRESSURE: 1746400 88.125 -230.47 84.0683 -230.471 69.926 81.8662 84.0687 81.8661 403.705 GPRESSURE: 1746400 36.9355 -177.571 -21.3806 -167.338 244.259 93.222 -73.707 -26.9764 360.492 PRESSAVG: 1746400 -41.5406 -40.9433 21.173 -40.9433 38.682 16.7463 21.1731 16.7463 -6.13881 GPRESSAVG: 1746400 -41.5829 -39.5832 19.2341 -40.4019 40.4405 18.206 19.7399 14.2658 -7.42245 TIMING: 1746400 CPU: 5522.27, 0.00314704/step Wall: 5522.27, 0.00314704/step, 2.84422 hours remaining, 235.394531 MB of memory in use. ENERGY: 1746400 3957.9360 20521.6599 14602.4687 254.0427 -203260.5387 2737.8757 0.0000 0.0000 52073.5824 -109112.9732 299.2676 -161186.5557 -108749.7354 299.3647 187.2519 213.8953 761131.0030 -2.9991 -2.8549 PRESSURE: 1746600 -5.96531 -23.6399 -70.9386 -23.6402 23.4728 160.479 -70.9392 160.48 -416.841 GPRESSURE: 1746600 -5.39286 1.37744 -30.4691 28.9874 67.4317 171.136 -115.677 27.514 -346.652 PRESSAVG: 1746600 -6.52455 0.126137 5.39694 0.12614 -10.554 32.7297 5.39696 32.7296 -8.77409 GPRESSAVG: 1746600 -7.03182 -0.697673 4.43947 -0.206823 -9.94959 32.3069 5.36714 34.1238 -8.74018 TIMING: 1746600 CPU: 5522.9, 0.00314929/step Wall: 5522.9, 0.00314929/step, 2.84609 hours remaining, 235.394531 MB of memory in use. ENERGY: 1746600 4108.6676 20388.5118 14486.6228 233.8065 -202902.2646 2629.3136 0.0000 0.0000 51860.8295 -109194.5128 298.0449 -161055.3424 -108817.2902 299.6640 -133.1111 -94.8712 762305.6862 -8.6176 -8.5739 PRESSURE: 1746800 28.8072 188.176 -79.3016 188.176 -43.6583 -114.437 -79.3016 -114.438 48.6181 GPRESSURE: 1746800 76.338 165.124 -44.5375 145.058 -114.417 -116.692 -155.355 -86.3173 158.157 PRESSAVG: 1746800 25.1128 37.9477 12.9592 37.9477 -51.1037 -3.76542 12.9592 -3.76546 -16.8647 GPRESSAVG: 1746800 25.8122 39.4813 14.7547 35.8706 -52.4147 -5.36635 12.2338 -4.82889 -15.9403 TIMING: 1746800 CPU: 5523.53, 0.00315392/step Wall: 5523.53, 0.00315392/step, 2.85009 hours remaining, 235.394531 MB of memory in use. ENERGY: 1746800 3936.6751 20480.4887 14499.4185 235.2403 -203326.3062 2623.3438 0.0000 0.0000 52162.4172 -109388.7225 299.7781 -161551.1396 -109025.6649 299.0411 11.2557 40.0260 761080.5471 -14.2852 -14.1809 PRESSURE: 1747000 61.3262 -30.2832 22.7055 -30.2832 -163.534 -51.8165 22.7052 -51.8164 115.188 GPRESSURE: 1747000 164.843 -38.8558 17.6047 -17.5748 -157.216 -8.20719 60.3486 49.2387 104.984 PRESSAVG: 1747000 -30.9082 21.2847 21.436 21.2847 12.154 9.38587 21.436 9.38585 6.30506 GPRESSAVG: 1747000 -30.8584 17.9256 22.1116 22.4336 13.3746 12.3028 23.4917 8.84284 5.13223 TIMING: 1747000 CPU: 5524.16, 0.00316133/step Wall: 5524.16, 0.00316133/step, 2.85661 hours remaining, 235.394531 MB of memory in use. ENERGY: 1747000 4008.8269 20480.8050 14434.7178 239.6015 -203164.2163 2500.2775 0.0000 0.0000 52066.4994 -109433.4881 299.2269 -161499.9875 -109077.0864 299.0024 4.3267 37.5371 760890.4424 -4.1497 -4.1172 PRESSURE: 1747200 123.277 -0.512174 175.487 -0.512569 -185.304 -41.1888 175.487 -41.19 71.6262 GPRESSURE: 1747200 90.1272 7.86798 231.516 -3.49448 -108.597 -88.7174 201.082 -41.426 111.842 PRESSAVG: 1747200 59.5691 -37.6552 9.15784 -37.6552 -45.0896 4.01695 9.15782 4.01696 3.68133 GPRESSAVG: 1747200 58.5638 -35.9906 6.85147 -36.1195 -45.016 2.63172 9.25637 5.07007 4.47031 TIMING: 1747200 CPU: 5524.79, 0.0031197/step Wall: 5524.79, 0.0031197/step, 2.81883 hours remaining, 235.394531 MB of memory in use. ENERGY: 1747200 3980.6811 20528.5624 14467.1716 246.9457 -203225.7707 2769.7933 0.0000 0.0000 52064.8345 -109167.7821 299.2173 -161232.6166 -108797.9111 299.5238 3.1994 31.1242 764011.4663 6.0536 6.0060 PRESSURE: 1747400 233.733 -107.878 -175.015 -107.879 -250.94 86.3218 -175.015 86.321 103.475 GPRESSURE: 1747400 198.531 -157.384 -134.723 -132.175 -173.388 -36.3478 -126.659 33.8546 141.733 PRESSAVG: 1747400 73.8007 -18.5835 -66.3948 -18.5835 -72.1127 17.1658 -66.3948 17.1658 2.97288 GPRESSAVG: 1747400 73.3044 -20.1774 -65.1035 -20.3172 -73.1101 15.9129 -68.1659 16.1779 4.24484 TIMING: 1747400 CPU: 5525.41, 0.00314174/step Wall: 5525.41, 0.00314174/step, 2.83856 hours remaining, 235.394531 MB of memory in use. ENERGY: 1747400 4051.4351 20432.3600 14511.0339 235.6538 -203245.9964 2658.0137 0.0000 0.0000 52322.4897 -109035.0102 300.6981 -161357.4999 -108671.4748 299.6793 28.7562 55.6253 761268.2809 1.5536 1.4797 PRESSURE: 1747600 -402.694 -14.3713 -58.6693 -14.3704 41.3346 -174.65 -58.67 -174.649 -322.008 GPRESSURE: 1747600 -304.388 -48.7553 -114.797 22.3413 -6.86231 -156.975 43.6838 -68.7476 -275.647 PRESSAVG: 1747600 -43.5136 14.8659 -9.78314 14.8658 45.5252 -5.27945 -9.78311 -5.27939 -5.73121 GPRESSAVG: 1747600 -40.9577 15.0597 -10.6267 15.5996 45.8581 -3.38444 -8.65032 -3.52988 -8.26981 TIMING: 1747600 CPU: 5526.06, 0.00320816/step Wall: 5526.06, 0.00320816/step, 2.8984 hours remaining, 235.394531 MB of memory in use. ENERGY: 1747600 4025.3952 20568.4532 14508.2422 249.8833 -203104.8816 2330.4885 0.0000 0.0000 52261.9753 -109160.4440 300.3503 -161422.4193 -108806.3288 300.0974 -227.7893 -195.6326 763081.7531 -1.2399 -1.1232 PRESSURE: 1747800 -522.034 36.8664 72.5183 36.8668 -315.647 2.79249 72.5173 2.79317 -486.595 GPRESSURE: 1747800 -425.45 6.62909 45.4278 85.8216 -324.44 -110.497 33.9063 64.5897 -503.955 PRESSAVG: 1747800 2.63219 -19.3983 -35.203 -19.3983 32.6364 -13.2109 -35.2031 -13.2109 0.0421846 GPRESSAVG: 1747800 1.50445 -17.7548 -33.6819 -18.1155 33.3895 -13.2375 -34.9196 -14.3285 0.132042 TIMING: 1747800 CPU: 5526.69, 0.00316157/step Wall: 5526.69, 0.00316157/step, 2.85613 hours remaining, 235.394531 MB of memory in use. ENERGY: 1747800 4055.3074 20399.9859 14563.2766 275.3386 -202763.6394 2080.3787 0.0000 0.0000 52431.9080 -108957.4442 301.3269 -161389.3522 -108587.8242 300.3292 -441.4255 -417.9484 764106.2384 11.7702 11.6753 PRESSURE: 1748000 106.501 -76.2695 -60.502 -76.2683 346.657 33.4481 -60.5014 33.448 200.029 GPRESSURE: 1748000 143.359 -0.771362 -62.3124 -20.8412 333.03 90.0442 -10.7999 -56.7468 271.693 PRESSAVG: 1748000 -12.3931 -48.6564 4.67558 -48.6564 16.172 12.7404 4.67555 12.7405 23.358 GPRESSAVG: 1748000 -12.5795 -49.8716 2.61873 -49.5281 14.9063 12.9088 5.47451 10.5052 24.6163 TIMING: 1748000 CPU: 5527.32, 0.00313618/step Wall: 5527.32, 0.00313618/step, 2.83301 hours remaining, 235.394531 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: 1748000 4110.1482 20477.2519 14480.6419 244.0760 -203703.3556 3035.7862 0.0000 0.0000 52166.1415 -109189.3098 299.7995 -161355.4513 -108837.6871 299.7101 217.7289 249.3609 762314.8610 9.0456 8.9810 PRESSURE: 1748200 1.09884 -13.0124 63.7452 -13.0124 -50.713 -79.1592 63.7451 -79.1601 -34.0954 GPRESSURE: 1748200 116.328 -58.145 35.0105 -6.17417 -32.6267 -72.7296 50.3173 -145.183 -91.2589 PRESSAVG: 1748200 31.2118 -46.6895 -36.9565 -46.6894 -41.5178 -24.8956 -36.9566 -24.8956 32.71 GPRESSAVG: 1748200 30.9284 -46.9419 -33.6712 -47.7331 -41.3602 -26.4022 -40.2092 -22.3178 32.8287 TIMING: 1748200 CPU: 5527.94, 0.00314402/step Wall: 5527.94, 0.00314402/step, 2.83992 hours remaining, 235.394531 MB of memory in use. ENERGY: 1748200 3989.7013 20582.2062 14510.4584 237.0297 -203530.6576 2855.0859 0.0000 0.0000 52088.0397 -109268.1364 299.3507 -161356.1761 -108918.3730 299.1562 -27.9032 -2.5191 762594.0655 7.4680 7.4656 LDB: ============= START OF LOAD BALANCING ============== 5540.48 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5540.48 LDB: =============== DONE WITH MIGRATION ================ 5540.48 LDB: ============= START OF LOAD BALANCING ============== 5540.79 LDB: Largest compute 7049 load 0.030970 is 15.8% of average load 0.195395 LDB: Average compute 0.004388 is 2.2% of average load 0.195395 LDB: TIME 5540.8 LOAD: AVG 0.195395 MAX 0.214898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 5540.8 LOAD: AVG 0.195395 MAX 0.214898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 5540.8 LOAD: AVG 0.195395 MAX 0.214898 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 5540.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5540.8 PRESSURE: 1748400 -62.869 77.3039 -123.265 77.3039 37.2475 66.5913 -123.264 66.5914 -95.9558 GPRESSURE: 1748400 -68.9687 -53.0873 -199.844 118.317 112.055 57.1627 -88.3457 -41.6012 -79.6054 PRESSAVG: 1748400 0.493334 -92.5094 13.041 -92.5095 -6.33509 -14.3288 13.0409 -14.3289 -10.4714 GPRESSAVG: 1748400 -0.225854 -92.211 11.788 -90.8029 -5.8074 -13.7564 16.748 -15.439 -10.7383 TIMING: 1748400 CPU: 5528.59, 0.00321352/step Wall: 5528.59, 0.00321352/step, 2.90252 hours remaining, 234.679688 MB of memory in use. ENERGY: 1748400 4070.4776 20401.7640 14463.2300 244.6360 -203420.0443 2846.9085 0.0000 0.0000 52027.0117 -109366.0164 299.0000 -161393.0282 -108998.3821 298.8587 -40.5257 -12.1730 762694.0664 -5.4377 -5.5905 PRESSURE: 1748600 202.425 211.738 11.0995 211.739 269.484 163.893 11.0991 163.894 124.309 GPRESSURE: 1748600 257.111 164.56 -47.7102 180.291 324.469 143.81 120.945 27.3458 103.759 PRESSAVG: 1748600 53.8677 -31.0147 20.6955 -31.0146 -64.7168 5.17904 20.6955 5.17909 -17.1062 GPRESSAVG: 1748600 53.9901 -31.9188 21.1479 -31.3583 -64.3351 5.76882 18.714 7.10121 -17.5056 TIMING: 1748600 CPU: 5529.21, 0.00312982/step Wall: 5529.21, 0.00312982/step, 2.82674 hours remaining, 235.007812 MB of memory in use. ENERGY: 1748600 4099.2781 20456.7152 14501.5211 275.1078 -203261.3938 2701.3653 0.0000 0.0000 51908.5292 -109318.8771 298.3190 -161227.4063 -108955.9801 298.9350 198.7393 228.4464 761618.8350 -9.3185 -9.2835 PRESSURE: 1748800 214.899 -60.377 64.4163 -60.3766 -99.4072 -356.952 64.4166 -356.953 -117.123 GPRESSURE: 1748800 179.726 -95.5278 115.527 -28.2568 24.1833 -253.771 -49.8897 -364.932 -114.397 PRESSAVG: 1748800 73.9513 -20.5128 5.6308 -20.5128 -65.04 -34.3494 5.63078 -34.3494 5.88727 GPRESSAVG: 1748800 73.8536 -17.6163 5.50216 -23.1062 -64.6527 -34.6172 7.05486 -35.7493 5.69854 TIMING: 1748800 CPU: 5529.84, 0.00314974/step Wall: 5529.84, 0.00314974/step, 2.84457 hours remaining, 235.007812 MB of memory in use. ENERGY: 1748800 3987.4723 20436.7835 14489.2916 235.2427 -202954.2725 2372.5973 0.0000 0.0000 52157.5643 -109275.3209 299.7502 -161432.8852 -108905.0883 299.2556 -0.5436 29.8375 761881.9056 4.9329 4.9665 PRESSURE: 1749000 176.3 -284.846 117.45 -284.846 -42.4109 -149.356 117.449 -149.356 348.837 GPRESSURE: 1749000 313.647 -190.458 176.496 -197.057 -92.6131 -120.037 34.0121 -143.984 329.603 PRESSAVG: 1749000 34.7442 -52.1864 10.7425 -52.1863 -54.3015 -49.4295 10.7424 -49.4295 12.5684 GPRESSAVG: 1749000 34.8207 -52.9849 9.25958 -51.9476 -55.1979 -49.0546 7.88192 -49.3714 13.3339 TIMING: 1749000 CPU: 5530.48, 0.00318724/step Wall: 5530.48, 0.00318724/step, 2.87826 hours remaining, 235.210938 MB of memory in use. ENERGY: 1749000 4028.1860 20575.0446 14461.2604 254.4337 -202914.5395 2518.8102 0.0000 0.0000 51889.4232 -109187.3814 298.2092 -161076.8046 -108825.7211 299.4996 160.9088 183.5454 763317.9283 -2.3296 -2.3478 PRESSURE: 1749200 -149.964 -77.0749 140.226 -77.0759 -307.741 46.2432 140.226 46.2445 -106.177 GPRESSURE: 1749200 -59.8922 31.1474 64.6215 -133.62 -328.307 10.634 115.323 -65.0352 -84.6996 PRESSAVG: 1749200 -11.3353 -22.0217 58.3337 -22.0218 -15.7237 25.7825 58.3337 25.7824 -19.3314 GPRESSAVG: 1749200 -9.55657 -22.0429 59.0904 -21.2711 -17.2303 24.8281 60.3655 24.9305 -19.5455 TIMING: 1749200 CPU: 5531.12, 0.00318022/step Wall: 5531.12, 0.00318022/step, 2.87174 hours remaining, 235.210938 MB of memory in use. ENERGY: 1749200 4030.0585 20475.0784 14496.1784 243.0156 -203106.8720 2565.3725 0.0000 0.0000 52210.6894 -109086.4794 300.0555 -161297.1687 -108719.4661 299.5552 -187.9606 -157.6328 763003.3313 -15.4634 -15.4441 PRESSURE: 1749400 21.8652 -23.3292 43.8585 -23.3293 35.8657 -247.378 43.8579 -247.377 71.111 GPRESSURE: 1749400 107.227 38.8194 69.4233 -36.9199 47.4093 -221.665 64.5895 -262.965 79.7802 PRESSAVG: 1749400 60.9746 -70.7398 12.3361 -70.7398 -39.287 -7.93555 12.3361 -7.93552 -3.40896 GPRESSAVG: 1749400 59.5144 -71.102 13.4719 -69.9417 -37.3056 -7.62556 12.6533 -6.39008 -4.08061 TIMING: 1749400 CPU: 5531.75, 0.00318129/step Wall: 5531.75, 0.00318129/step, 2.87252 hours remaining, 235.210938 MB of memory in use. ENERGY: 1749400 4042.8447 20594.5360 14506.2489 245.4988 -203110.2202 2558.2742 0.0000 0.0000 52236.5016 -108926.3161 300.2039 -161162.8177 -108557.0729 299.5118 42.9473 78.1387 762680.3035 6.0929 6.0427 PRESSURE: 1749600 -112.825 170.751 -26.193 170.751 -383.123 -104.056 -26.1924 -104.056 -472.806 GPRESSURE: 1749600 -108.319 149.117 -39.7163 152.787 -326.701 -185.17 27.7962 20.9378 -462.954 PRESSAVG: 1749600 5.3313 -55.5662 8.51392 -55.5662 -50.1968 -31.2887 8.51391 -31.2888 -10.9689 GPRESSAVG: 1749600 4.98017 -57.0359 8.63409 -55.6667 -49.2951 -32.4459 7.92618 -33.3585 -11.4147 TIMING: 1749600 CPU: 5532.39, 0.00319698/step Wall: 5532.39, 0.00319698/step, 2.88652 hours remaining, 235.210938 MB of memory in use. ENERGY: 1749600 3960.7484 20574.1246 14476.5154 256.6251 -202813.1033 2300.6961 0.0000 0.0000 52276.5447 -108967.8489 300.4340 -161244.3936 -108589.4057 300.0168 -322.9177 -299.3247 763763.7938 -18.6115 -18.5765 PRESSURE: 1749800 -58.7949 -80.7144 -67.425 -80.7143 -123.388 -541.608 -67.4243 -541.607 355.478 GPRESSURE: 1749800 18.7163 -176.323 -114.276 -20.5998 -160.618 -613.684 31.7445 -426.255 400.312 PRESSAVG: 1749800 18.0823 -14.4092 -19.1135 -14.4092 -24.4273 -26.5288 -19.1135 -26.5288 -13.4463 GPRESSAVG: 1749800 19.3532 -13.9003 -21.1104 -15.3909 -25.8562 -26.0268 -20.1283 -23.5338 -12.9733 TIMING: 1749800 CPU: 5533.03, 0.00317628/step Wall: 5533.03, 0.00317628/step, 2.86765 hours remaining, 235.210938 MB of memory in use. ENERGY: 1749800 4025.2101 20499.6449 14484.6049 247.9101 -202764.9373 2246.6216 0.0000 0.0000 52048.4759 -109212.4698 299.1233 -161260.9457 -108846.8379 299.6409 57.7647 86.1368 762704.0596 -6.5971 -6.4921 PRESSURE: 1750000 24.0788 -113.203 -79.7744 -113.204 -146.868 -115.154 -79.7743 -115.154 565.064 GPRESSURE: 1750000 46.3847 -172.339 -99.9762 -107.686 -96.6195 1.90485 42.7174 -182.596 576.211 PRESSAVG: 1750000 39.5376 11.2361 -19.2824 11.2361 -49.4866 -24.9967 -19.2825 -24.9968 8.24108 GPRESSAVG: 1750000 39.384 11.7058 -18.5081 11.7412 -48.9193 -25.1131 -20.9629 -26.2293 7.87525 TIMING: 1750000 CPU: 5533.66, 0.00316753/step Wall: 5533.66, 0.00316753/step, 2.85957 hours remaining, 235.210938 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: 1750000 3963.0232 20440.9642 14502.2101 243.5372 -203287.8508 2711.2080 0.0000 0.0000 52180.5933 -109246.3148 299.8826 -161426.9082 -108885.8534 299.5790 147.4249 175.3252 761637.0348 -0.5693 -0.5533 PRESSURE: 1750200 -231.202 -143.213 -41.6144 -143.214 237.836 -80.9909 -41.6141 -80.991 -219.869 GPRESSURE: 1750200 -198.727 -81.1421 -53.941 -119.935 271.474 -173.194 44.9893 -55.7567 -192.595 PRESSAVG: 1750200 -63.318 -53.8805 -34.0802 -53.8804 43.0255 -16.1704 -34.0802 -16.1704 -11.9163 GPRESSAVG: 1750200 -63.2464 -52.7341 -33.4684 -54.4107 42.6103 -14.8265 -32.989 -15.9282 -11.8259 TIMING: 1750200 CPU: 5534.29, 0.00313979/step Wall: 5534.29, 0.00313979/step, 2.83436 hours remaining, 235.210938 MB of memory in use. ENERGY: 1750200 3982.5719 20554.3441 14556.8013 259.4223 -203330.7647 2722.0657 0.0000 0.0000 52116.4591 -109139.1002 299.5140 -161255.5593 -108788.0405 299.3465 -71.0785 -39.9492 762616.0172 -10.7363 -10.8207 PRESSURE: 1750400 -75.7855 17.5726 66.9074 17.5729 -3.41107 -21.25 66.9076 -21.2499 18.2412 GPRESSURE: 1750400 25.5535 21.4025 51.2482 -33.4414 14.0801 -47.0414 52.6911 -18.2726 -14.3399 PRESSAVG: 1750400 -27.0961 -89.9175 -55.9339 -89.9176 2.38183 -7.01826 -55.934 -7.01829 11.1912 GPRESSAVG: 1750400 -27.7215 -91.0761 -55.6242 -88.1739 2.09401 -6.88752 -54.4357 -8.00362 11.9769 TIMING: 1750400 CPU: 5534.92, 0.00316024/step Wall: 5534.92, 0.00316024/step, 2.85265 hours remaining, 235.210938 MB of memory in use. ENERGY: 1750400 3903.4121 20614.9025 14539.9519 222.5195 -203267.2703 2690.8006 0.0000 0.0000 51953.2049 -109342.4788 298.5758 -161295.6837 -108978.1266 299.3517 -20.3185 8.4312 762118.2778 -4.5077 -4.5502 PRESSURE: 1750600 257.488 -145.871 282.159 -145.869 25.153 -177.432 282.159 -177.432 -45.6859 GPRESSURE: 1750600 288.018 -135.905 202.978 -167.658 0.185465 -179.239 251.657 -31.7536 28.0484 PRESSAVG: 1750600 32.1752 -24.5377 -24.9023 -24.5376 -32.4724 -16.4562 -24.9023 -16.4561 9.71142 GPRESSAVG: 1750600 32.8022 -25.3824 -26.5365 -25.4791 -32.4819 -17.5717 -23.4127 -16.0361 9.68454 TIMING: 1750600 CPU: 5535.56, 0.00317375/step Wall: 5535.56, 0.00317375/step, 2.86466 hours remaining, 235.210938 MB of memory in use. ENERGY: 1750600 3934.5521 20599.9208 14513.9122 245.2219 -203547.0445 2640.8640 0.0000 0.0000 52270.6959 -109341.8775 300.4004 -161612.5734 -108977.2628 299.6084 78.9849 105.4174 761892.7792 3.1381 3.3349 PRESSURE: 1750800 2.83019 330.722 -80.752 330.722 -399.631 48.6338 -80.752 48.6336 265.796 GPRESSURE: 1750800 -59.8729 328.825 -113.04 262.061 -255.278 128.369 -152.495 -12.8364 267.609 PRESSAVG: 1750800 22.7836 -21.4646 -44.3371 -21.4646 -8.89351 54.8988 -44.3371 54.8988 15.1869 GPRESSAVG: 1750800 21.9009 -20.3674 -43.0464 -22.9257 -7.89013 55.1699 -48.4323 56.1815 15.312 TIMING: 1750800 CPU: 5536.19, 0.00317134/step Wall: 5536.19, 0.00317134/step, 2.86231 hours remaining, 235.210938 MB of memory in use. ENERGY: 1750800 3985.7104 20600.6270 14592.2598 241.2582 -203188.1444 2319.1569 0.0000 0.0000 52282.1739 -109166.9584 300.4664 -161449.1322 -108801.4525 299.9684 -43.6684 -15.8473 759689.4951 9.6923 9.7742 PRESSURE: 1751000 -548.757 -143.92 -12.0213 -143.919 -206.074 -146.519 -12.0205 -146.519 -492.127 GPRESSURE: 1751000 -520.092 -111.7 -113.189 -78.9231 -116.349 -219.295 -30.3209 -182.298 -531.138 PRESSAVG: 1751000 30.6846 23.4186 -44.235 23.4186 -20.1333 50.404 -44.235 50.404 7.56758 GPRESSAVG: 1751000 30.5768 22.365 -44.2714 24.2283 -19.4484 51.1917 -43.5794 48.549 7.03848 TIMING: 1751000 CPU: 5536.83, 0.0031779/step Wall: 5536.83, 0.0031779/step, 2.86805 hours remaining, 235.210938 MB of memory in use. ENERGY: 1751000 3997.0199 20522.0630 14577.5289 242.5624 -202640.4180 1994.0851 0.0000 0.0000 52286.5932 -109020.5656 300.4918 -161307.1588 -108658.4408 300.1295 -415.6526 -389.1933 762843.4719 6.0396 6.0556 PRESSURE: 1751200 106.959 -177.149 88.0504 -177.149 77.7936 -63.8941 88.0501 -63.894 -24.3789 GPRESSURE: 1751200 216.686 -253.265 -1.29399 -110.151 84.3511 7.49155 -47.6975 8.33357 -62.8128 PRESSAVG: 1751200 -18.2477 -30.8413 22.5498 -30.8414 21.9665 -42.3012 22.5498 -42.3012 0.152709 GPRESSAVG: 1751200 -18.8078 -29.0549 21.5612 -31.7112 20.3098 -42.2421 23.8852 -40.2684 1.94861 TIMING: 1751200 CPU: 5537.46, 0.00317933/step Wall: 5537.46, 0.00317933/step, 2.86917 hours remaining, 235.210938 MB of memory in use. ENERGY: 1751200 3933.7884 20486.9715 14534.7666 243.3071 -203221.5062 2703.1421 0.0000 0.0000 52351.5257 -108968.0048 300.8649 -161319.5305 -108600.2525 300.1391 53.4579 79.4080 761160.5981 1.2905 1.1502 PRESSURE: 1751400 -181.424 -40.537 72.2426 -40.5381 -123.242 -180.281 72.2425 -180.282 -146.914 GPRESSURE: 1751400 -95.6871 25.0977 99.2104 49.8332 -145.473 -63.7423 96.8285 -117.122 -129.855 PRESSAVG: 1751400 -37.0386 -35.5126 -27.7067 -35.5126 -22.7699 -8.18894 -27.7067 -8.18902 -19.0765 GPRESSAVG: 1751400 -35.5471 -34.4046 -27.6664 -35.4655 -23.4904 -6.96988 -29.6785 -10.3643 -19.9801 TIMING: 1751400 CPU: 5538.1, 0.00317833/step Wall: 5538.1, 0.00317833/step, 2.86809 hours remaining, 235.210938 MB of memory in use. ENERGY: 1751400 4057.1996 20485.8849 14517.8634 256.5961 -203055.3378 2518.8564 0.0000 0.0000 52164.1098 -109054.8275 299.7879 -161218.9373 -108685.0910 300.0000 -150.5265 -123.6718 764297.5679 -26.2950 -26.3392 PRESSURE: 1751600 22.7328 151.579 -199.641 151.579 -496.542 -225.796 -199.64 -225.796 -30.9363 GPRESSURE: 1751600 -36.1857 47.8026 -150.859 29.8623 -320.039 -117.755 -256.431 -153.505 -57.0434 PRESSAVG: 1751600 29.5626 -15.6055 -39.2636 -15.6055 14.6329 -52.8862 -39.2636 -52.8862 -2.37052 GPRESSAVG: 1751600 28.4953 -18.6889 -38.7971 -15.2217 15.9057 -54.1858 -38.1136 -49.4382 -2.29125 TIMING: 1751600 CPU: 5538.73, 0.00316583/step Wall: 5538.73, 0.00316583/step, 2.85663 hours remaining, 235.210938 MB of memory in use. ENERGY: 1751600 4004.6459 20485.0281 14568.8863 255.9832 -202956.9295 2391.9195 0.0000 0.0000 52035.0333 -109215.4332 299.0461 -161250.4665 -108856.5249 299.4411 -168.2486 -137.7560 762903.1857 13.9417 14.0366 PRESSURE: 1751800 -313.721 -148.725 179.181 -148.725 -304.628 -10.231 179.179 -10.2304 -72.2012 GPRESSURE: 1751800 -234.604 -223.535 205.124 -198.912 -233.863 -19.0777 179.706 28.1373 -146.372 PRESSAVG: 1751800 7.49154 -19.4784 -28.5526 -19.4784 -23.289 38.9218 -28.5526 38.9219 -23.3825 GPRESSAVG: 1751800 6.91006 -18.681 -28.2914 -19.9511 -22.8075 38.5126 -30.8891 38.0818 -23.8603 TIMING: 1751800 CPU: 5539.37, 0.00317155/step Wall: 5539.37, 0.00317155/step, 2.86162 hours remaining, 235.210938 MB of memory in use. ENERGY: 1751800 3964.6259 20408.0823 14451.3155 229.4610 -203053.1924 2497.2619 0.0000 0.0000 52143.9079 -109358.5380 299.6718 -161502.4459 -109001.7286 299.0562 -230.1836 -204.9463 764141.1107 -13.0600 -13.2526 PRESSURE: 1752000 41.1952 -91.9887 65.1084 -91.9887 26.7837 34.5689 65.1075 34.5681 0.322663 GPRESSURE: 1752000 109.566 -3.59226 33.3942 -160.103 4.34624 96.0163 89.8599 77.8605 37.8741 PRESSAVG: 1752000 -46.7313 39.7972 10.8622 39.7972 -14.6523 13.908 10.8621 13.908 14.2698 GPRESSAVG: 1752000 -45.8113 40.7175 10.4507 41.0036 -16.4749 14.7426 13.2348 12.0417 14.6291 TIMING: 1752000 CPU: 5540, 0.00316227/step Wall: 5540, 0.00316227/step, 2.85307 hours remaining, 235.210938 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: 1752000 3912.4797 20519.4274 14582.1448 261.2110 -203230.4479 2593.3556 0.0000 0.0000 52107.4063 -109254.4230 299.4620 -161361.8293 -108898.5867 299.3044 22.7672 50.5953 761173.8506 -15.7046 -15.8857 PRESSURE: 1752200 -5.91558 84.5432 -55.71 84.5429 -270.033 7.80251 -55.71 7.80288 430.467 GPRESSURE: 1752200 -20.4827 3.78304 -42.8797 -38.282 -187.678 -42.8082 -55.5305 31.1594 443.995 PRESSAVG: 1752200 7.47325 -22.7654 67.5346 -22.7655 -43.4085 72.0252 67.5346 72.0251 11.2286 GPRESSAVG: 1752200 7.67148 -25.665 67.1826 -21.6387 -43.7291 70.8891 68.4996 72.8725 10.9248 TIMING: 1752200 CPU: 5540.63, 0.00317346/step Wall: 5540.63, 0.00317346/step, 2.86299 hours remaining, 235.210938 MB of memory in use. ENERGY: 1752200 3987.3078 20421.3519 14550.0124 256.4009 -202980.6458 2399.3083 0.0000 0.0000 52057.7367 -109308.5278 299.1765 -161366.2645 -108941.7740 299.4258 51.5064 78.6113 761406.9823 -8.2355 -8.3776 LDB: ============= START OF LOAD BALANCING ============== 5553.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5553.17 LDB: =============== DONE WITH MIGRATION ================ 5553.17 LDB: ============= START OF LOAD BALANCING ============== 5553.48 LDB: Largest compute 7049 load 0.030632 is 15.7% of average load 0.195512 LDB: Average compute 0.004379 is 2.2% of average load 0.195512 LDB: TIME 5553.49 LOAD: AVG 0.195512 MAX 0.218393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 5553.49 LOAD: AVG 0.195512 MAX 0.218393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: TIME 5553.49 LOAD: AVG 0.195512 MAX 0.215854 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: ============== END OF LOAD BALANCING =============== 5553.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5553.49 PRESSURE: 1752400 242.455 -2.23445 86.9954 -2.23473 122.565 -26.394 86.995 -26.3936 -359.394 GPRESSURE: 1752400 298.605 -49.1404 88.0403 -108.32 110.841 19.2879 -13.8125 -35.9781 -312.032 PRESSAVG: 1752400 47.0178 -0.563774 -25.6454 -0.56379 -27.4039 32.882 -25.6453 32.882 -0.946139 GPRESSAVG: 1752400 46.9683 0.573393 -25.4988 -2.42708 -27.9189 34.5288 -26.7967 31.1664 -0.557734 TIMING: 1752400 CPU: 5541.28, 0.0032291/step Wall: 5541.28, 0.0032291/step, 2.91301 hours remaining, 234.371094 MB of memory in use. ENERGY: 1752400 4002.5221 20412.6628 14443.9182 242.7698 -202979.7170 2507.3772 0.0000 0.0000 52059.7219 -109310.7451 299.1879 -161370.4670 -108947.6039 299.4777 1.8755 32.4713 761116.8459 6.2226 6.1639 PRESSURE: 1752600 22.3946 -55.0518 196.698 -55.0517 -124.485 -108.65 196.697 -108.65 -374.535 GPRESSURE: 1752600 121.406 -48.466 137.509 59.2331 -143.128 -130.186 152.495 59.6129 -360.354 PRESSAVG: 1752600 6.26026 -81.152 -15.9154 -81.1521 7.29844 -6.59566 -15.9154 -6.59566 -1.45518 GPRESSAVG: 1752600 6.6239 -83.4892 -16.1858 -81.3263 7.55267 -7.62672 -15.8271 -5.50207 -1.77073 TIMING: 1752600 CPU: 5541.91, 0.00315748/step Wall: 5541.91, 0.00315748/step, 2.84822 hours remaining, 234.371094 MB of memory in use. ENERGY: 1752600 4038.9580 20492.4145 14433.9968 223.8930 -202892.8069 2522.8202 0.0000 0.0000 51990.7758 -109189.9486 298.7917 -161180.7244 -108835.5846 299.3618 -158.8751 -127.3586 762627.3894 4.0345 4.1353 PRESSURE: 1752800 -152.266 186.32 72.2579 186.321 -268.732 185.527 72.2571 185.526 -41.5347 GPRESSURE: 1752800 -137.609 189.641 71.964 197.481 -118.528 128.002 -73.9964 163.762 -94.3236 PRESSAVG: 1752800 45.4642 -35.2535 9.27675 -35.2535 -33.8986 -20.0554 9.27676 -20.0554 -16.8605 GPRESSAVG: 1752800 43.8567 -31.5328 10.3412 -33.9421 -32.2111 -21.3504 12.7295 -20.5807 -16.898 TIMING: 1752800 CPU: 5542.55, 0.00318518/step Wall: 5542.55, 0.00318518/step, 2.87304 hours remaining, 234.371094 MB of memory in use. ENERGY: 1752800 3951.5442 20487.7318 14465.6981 255.0164 -203163.7632 2581.3831 0.0000 0.0000 51899.4754 -109522.9141 298.2670 -161422.3896 -109161.8965 298.9851 -154.1773 -116.8200 763234.0018 -1.7649 -1.7508 PRESSURE: 1753000 48.0827 0.0547377 -4.08227 0.054767 89.7128 384.543 -4.08245 384.543 -80.8353 GPRESSURE: 1753000 165.919 -37.217 -55.7099 -20.1692 98.56 335.282 -81.1152 320.435 -130.782 PRESSAVG: 1753000 -13.6254 -65.4533 54.0695 -65.4533 37.0162 -21.9984 54.0695 -21.9984 -2.6288 GPRESSAVG: 1753000 -13.2273 -68.992 52.9079 -64.5817 36.5147 -22.6708 49.5727 -20.902 -2.09559 TIMING: 1753000 CPU: 5543.18, 0.00318637/step Wall: 5543.18, 0.00318637/step, 2.87393 hours remaining, 234.371094 MB of memory in use. ENERGY: 1753000 3821.9924 20327.4948 14460.8138 254.6604 -203289.8492 2752.7993 0.0000 0.0000 51993.9457 -109678.1428 298.8099 -161672.0885 -109315.2919 298.6753 18.9867 44.5658 763159.5668 6.9207 7.0639 PRESSURE: 1753200 306.861 -14.7811 -45.3049 -14.7806 3.47501 63.3246 -45.3049 63.3252 367.639 GPRESSURE: 1753200 345.446 -60.7441 -60.6868 -65.6151 20.4923 92.7481 -39.629 156.557 383.942 PRESSAVG: 1753200 13.0016 -30.9313 -46.8285 -30.9312 -44.8935 38.2811 -46.8285 38.2811 9.72965 GPRESSAVG: 1753200 14.0493 -29.6428 -47.255 -33.3706 -44.86 39.0992 -43.0983 38.3905 9.50267 TIMING: 1753200 CPU: 5543.82, 0.00319176/step Wall: 5543.82, 0.00319176/step, 2.87862 hours remaining, 234.371094 MB of memory in use. ENERGY: 1753200 3880.1345 20472.6289 14450.8922 237.6092 -203222.4378 2728.1837 0.0000 0.0000 51927.4765 -109525.5129 298.4279 -161452.9894 -109162.7828 298.0172 225.9917 249.9601 762758.5584 -7.3874 -7.1027 PRESSURE: 1753400 240.571 -113.958 -76.599 -113.958 148.429 372.589 -76.5984 372.591 -18.3482 GPRESSURE: 1753400 316.456 -40.3065 -40.8403 -38.6776 167.027 313.172 -103.521 328.361 -39.1169 PRESSAVG: 1753400 -5.33882 -45.3969 -31.3071 -45.3969 51.1813 25.8375 -31.3071 25.8376 3.40115 GPRESSAVG: 1753400 -5.69988 -43.7792 -30.0865 -45.2745 51.8063 27.6614 -34.6226 23.5052 2.72887 TIMING: 1753400 CPU: 5544.46, 0.00317222/step Wall: 5544.46, 0.00317222/step, 2.86082 hours remaining, 234.371094 MB of memory in use. ENERGY: 1753400 3951.2091 20564.2001 14423.5646 252.3016 -203045.0346 2644.0654 0.0000 0.0000 51871.9772 -109337.7165 298.1090 -161209.6938 -108984.0136 298.7749 123.5504 148.1223 762689.3413 16.4146 16.2784 PRESSURE: 1753600 -138.06 -16.8083 -90.4794 -16.8077 436.958 273.433 -90.4799 273.433 -1.93839 GPRESSURE: 1753600 -133.631 136.473 -62.1426 -118.464 437.825 288.528 -37.2011 191.101 74.0273 PRESSAVG: 1753600 15.2675 -53.1271 4.71774 -53.1272 -4.85235 24.3587 4.71772 24.3587 -10.855 GPRESSAVG: 1753600 15.5904 -52.9994 2.88105 -53.9034 -5.63199 23.4922 6.4113 25.9608 -9.97366 TIMING: 1753600 CPU: 5545.09, 0.00314878/step Wall: 5545.09, 0.00314878/step, 2.8395 hours remaining, 234.371094 MB of memory in use. ENERGY: 1753600 3955.8912 20428.9230 14453.4454 250.4267 -203226.0814 2650.9062 0.0000 0.0000 51928.2971 -109558.1917 298.4326 -161486.4888 -109193.5570 298.1964 98.9864 126.0736 763084.8049 -0.1466 -0.0051 PRESSURE: 1753800 122.273 -64.3913 -34.2552 -64.3912 -108.478 7.94793 -34.2551 7.94839 111.21 GPRESSURE: 1753800 79.8295 2.86559 27.6421 -40.2383 -23.0972 -51.2835 88.5275 -24.5224 150.075 PRESSAVG: 1753800 -8.81355 2.1984 -14.1966 2.1984 22.0447 10.9859 -14.1966 10.9858 -11.423 GPRESSAVG: 1753800 -10.2067 0.492553 -11.5403 3.58747 23.809 9.91303 -15.0148 10.2437 -11.1979 TIMING: 1753800 CPU: 5545.72, 0.00314593/step Wall: 5545.72, 0.00314593/step, 2.83676 hours remaining, 234.371094 MB of memory in use. ENERGY: 1753800 3955.7806 20424.0282 14369.7753 259.5813 -203029.4944 2621.5741 0.0000 0.0000 51791.6121 -109607.1430 297.6471 -161398.7551 -109255.6480 298.3471 41.6682 68.9357 763022.3835 0.6027 0.8015 PRESSURE: 1754000 -41.4486 67.9394 -121.333 67.9396 171.21 75.1362 -121.332 75.137 -335.98 GPRESSURE: 1754000 42.1979 160.239 -74.2659 100.143 116.151 70.9315 -54.0235 112.818 -273.408 PRESSAVG: 1754000 -40.2889 0.113967 29.2028 0.113996 -15.7012 13.8843 29.2028 13.8844 15.3472 GPRESSAVG: 1754000 -39.217 0.334218 29.6522 -1.07024 -17.5839 15.4493 29.0066 13.3792 15.7098 TIMING: 1754000 CPU: 5546.35, 0.00316724/step Wall: 5546.35, 0.00316724/step, 2.85579 hours remaining, 234.371094 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: 1754000 3911.0972 20415.9919 14369.2841 251.9463 -202910.8737 2443.7442 0.0000 0.0000 51894.5621 -109624.2478 298.2388 -161518.8099 -109260.8548 298.3411 -68.7393 -38.3529 762804.3993 -13.5476 -13.6970 PRESSURE: 1754200 139.201 185.912 40.3065 185.912 -17.0997 82.5211 40.3061 82.5219 131.839 GPRESSURE: 1754200 143.483 127.447 -19.5737 114.14 61.9935 75.4762 -91.8031 17.3009 129.337 PRESSAVG: 1754200 -6.45447 6.59485 -9.70756 6.59486 -0.685556 -6.11306 -9.70758 -6.11304 22.3163 GPRESSAVG: 1754200 -6.35017 8.01748 -10.955 7.13503 0.173374 -6.2046 -10.1414 -5.33627 21.1076 TIMING: 1754200 CPU: 5546.98, 0.00316063/step Wall: 5546.98, 0.00316063/step, 2.84966 hours remaining, 234.371094 MB of memory in use. ENERGY: 1754200 3990.3265 20425.5014 14424.0234 261.3823 -203434.4528 2758.2655 0.0000 0.0000 52140.9772 -109433.9765 299.6549 -161574.9537 -109076.0803 298.4640 84.6466 111.6047 761262.0805 5.0587 4.9770 PRESSURE: 1754400 147.567 -52.0796 211.478 -52.0807 -40.2481 8.05174 211.479 8.05212 -34.9766 GPRESSURE: 1754400 150.182 -8.98795 157.252 -64.4656 67.8419 -15.7444 78.208 -33.6152 -75.3743 PRESSAVG: 1754400 69.1467 -29.5601 25.4603 -29.5601 -53.9366 20.5211 25.4604 20.5211 1.13913 GPRESSAVG: 1754400 68.4884 -31.2847 24.9374 -26.8984 -53.9964 18.2731 24.3635 20.6448 1.19231 TIMING: 1754400 CPU: 5547.61, 0.00315946/step Wall: 5547.61, 0.00315946/step, 2.84843 hours remaining, 234.371094 MB of memory in use. ENERGY: 1754400 4063.6240 20710.9651 14452.3956 243.4337 -203771.1309 2924.8878 0.0000 0.0000 51977.1623 -109398.6623 298.7135 -161375.8246 -109045.7256 299.5627 24.1142 47.5499 761692.5680 5.4497 5.2281 PRESSURE: 1754600 4.33977 -288.052 -110.918 -288.052 26.4178 209.302 -110.917 209.301 -78.3574 GPRESSURE: 1754600 2.16589 -327.198 -31.4761 -227.861 99.1539 242.308 -101.39 166.375 -65.6135 PRESSAVG: 1754600 38.7948 -26.7258 63.6264 -26.7258 -12.3342 -16.6311 63.6264 -16.6312 8.89928 GPRESSAVG: 1754600 39.2649 -26.109 63.0509 -29.7058 -11.9934 -16.2181 66.3161 -18.5426 8.7668 TIMING: 1754600 CPU: 5548.24, 0.0031497/step Wall: 5548.24, 0.0031497/step, 2.83946 hours remaining, 234.371094 MB of memory in use. ENERGY: 1754600 3954.3776 20592.1172 14478.8652 221.3870 -203449.7111 2674.8259 0.0000 0.0000 51833.1906 -109694.9476 297.8861 -161528.1382 -109337.3318 298.7945 -15.8666 11.9021 761807.3582 11.7867 12.0128 PRESSURE: 1754800 366.358 -75.9789 -55.044 -75.9794 69.3915 225.21 -55.0437 225.211 379.244 GPRESSURE: 1754800 355.61 -80.5637 -54.2426 -88.8775 148.692 260.836 -107.873 244.516 399.834 PRESSAVG: 1754800 66.3738 -8.93268 -20.8813 -8.93271 -54.3914 1.0998 -20.8813 1.09983 4.09802 GPRESSAVG: 1754800 66.6262 -8.17309 -20.1772 -7.64128 -54.8741 0.666519 -20.4805 2.47995 3.73576 TIMING: 1754800 CPU: 5548.87, 0.00315826/step Wall: 5548.87, 0.00315826/step, 2.847 hours remaining, 234.371094 MB of memory in use. ENERGY: 1754800 3921.1704 20490.2018 14532.3700 249.8288 -203862.0222 2934.7265 0.0000 0.0000 52038.3526 -109695.3720 299.0651 -161733.7246 -109337.3087 298.2819 271.6646 301.3785 760776.3132 5.3601 5.1626 PRESSURE: 1755000 -53.2979 102.875 -83.1706 102.875 -176.735 -149.395 -83.1708 -149.394 77.4197 GPRESSURE: 1755000 -92.0884 125.769 -54.8006 192.499 -105.103 -216.525 -40.3952 -60.5701 113.395 PRESSAVG: 1755000 25.4978 -29.3318 -30.4977 -29.3319 -47.9138 45.0194 -30.4977 45.0194 7.53 GPRESSAVG: 1755000 24.5396 -28.9193 -31.2084 -31.9737 -47.52 43.389 -31.7258 46.1632 8.01634 TIMING: 1755000 CPU: 5549.5, 0.00314597/step Wall: 5549.5, 0.00314596/step, 2.83574 hours remaining, 234.371094 MB of memory in use. ENERGY: 1755000 3904.4342 20736.0098 14486.7301 254.8844 -203224.5418 2513.0257 0.0000 0.0000 51682.9956 -109646.4621 297.0229 -161329.4577 -109296.4347 298.5859 -50.8711 -27.9322 762605.8217 -4.9620 -4.9880 PRESSURE: 1755200 87.4943 -42.7008 -51.8107 -42.7008 54.1536 -105.659 -51.81 -105.659 120.22 GPRESSURE: 1755200 177.401 -105.021 -4.26828 -111.21 31.828 -18.404 -96.1746 -147.198 136.753 PRESSAVG: 1755200 20.3591 -35.7555 -18.7115 -35.7555 -2.11322 -5.54563 -18.7115 -5.54565 28.4843 GPRESSAVG: 1755200 21.6104 -35.9005 -19.3757 -32.368 -2.0166 -2.54551 -17.4154 -5.88821 28.0236 TIMING: 1755200 CPU: 5550.14, 0.00317014/step Wall: 5550.14, 0.00317014/step, 2.85735 hours remaining, 234.371094 MB of memory in use. ENERGY: 1755200 4026.3678 20543.0671 14469.1915 255.9421 -203325.4928 2558.3290 0.0000 0.0000 52007.3736 -109465.2217 298.8871 -161472.5954 -109104.3373 299.1551 87.2893 115.3273 761039.8497 15.5767 15.8725 PRESSURE: 1755400 -149.039 -168.747 -185.499 -168.747 68.2464 178.494 -185.499 178.495 -95.6301 GPRESSURE: 1755400 -125.278 -48.055 -181.677 -148.889 145.955 162.756 -186.704 145.256 -109.486 PRESSAVG: 1755400 -38.8024 -44.1994 17.0825 -44.1995 20.1585 24.9675 17.0825 24.9675 11.2239 GPRESSAVG: 1755400 -37.8557 -44.7753 18.5842 -46.9686 19.0511 24.6461 16.2118 22.6238 11.5181 TIMING: 1755400 CPU: 5550.77, 0.00314872/step Wall: 5550.77, 0.00314872/step, 2.83787 hours remaining, 234.371094 MB of memory in use. ENERGY: 1755400 4005.1307 20443.5129 14413.6940 242.2002 -203447.6783 2473.6373 0.0000 0.0000 52084.8067 -109784.6964 299.3321 -161869.5031 -109410.3208 298.2612 -58.8074 -29.6029 761532.5653 -2.4733 -2.4288 PRESSURE: 1755600 -31.955 -78.7094 -133.108 -78.7089 -118.313 -82.2697 -133.108 -82.2699 23.8993 GPRESSURE: 1755600 -1.45511 -147.147 -153.562 -28.5404 -57.1018 -75.8438 -66.8507 -82.1841 -6.77479 PRESSAVG: 1755600 58.7479 -28.312 8.07717 -28.312 -54.6476 -4.55344 8.07716 -4.55349 -23.3792 GPRESSAVG: 1755600 58.3473 -28.8594 8.60425 -26.3729 -53.7475 -3.98718 8.43072 -3.90539 -24.2498 TIMING: 1755600 CPU: 5551.39, 0.00311497/step Wall: 5551.39, 0.00311497/step, 2.80728 hours remaining, 234.371094 MB of memory in use. ENERGY: 1755600 4018.2644 20506.7593 14456.4297 228.4844 -203833.3867 3199.6165 0.0000 0.0000 51762.1104 -109661.7221 297.4776 -161423.8324 -109294.3783 298.0609 -42.1230 -21.7772 762907.6207 -6.4263 -6.5500 PRESSURE: 1755800 18.1631 -102.985 70.9422 -102.984 178.845 -11.7615 70.9426 -11.7613 -10.8701 GPRESSURE: 1755800 49.5314 -67.7415 82.7774 -36.7904 191.899 -133.831 57.6344 0.527526 26.7269 PRESSAVG: 1755800 -21.661 -59.8888 -9.30517 -59.8888 -16.2036 15.6428 -9.30519 15.6428 21.7539 GPRESSAVG: 1755800 -22.2819 -58.3143 -9.42519 -60.6656 -16.6579 13.6633 -8.74708 15.2579 22.983 TIMING: 1755800 CPU: 5552.02, 0.00314995/step Wall: 5552.02, 0.00314995/step, 2.83863 hours remaining, 234.371094 MB of memory in use. ENERGY: 1755800 3985.4959 20444.8732 14482.1168 266.0738 -203555.5154 2775.1011 0.0000 0.0000 51919.5608 -109682.2938 298.3824 -161601.8546 -109310.7913 298.3683 62.0461 89.3859 761381.0586 -5.3703 -5.3189 PRESSURE: 1756000 -160.508 -48.3682 194.121 -48.3683 86.1818 54.8783 194.122 54.8783 -89.0619 GPRESSURE: 1756000 -101.25 -43.0651 237.16 -30.0171 174.491 9.77543 -3.14166 36.2684 -158.075 PRESSAVG: 1756000 21.3772 -5.08117 37.4517 -5.08115 8.20187 -7.8059 37.4517 -7.80589 -11.6001 GPRESSAVG: 1756000 21.7449 -5.20908 37.3844 -6.20952 7.83364 -6.38116 35.1677 -5.92449 -11.4301 TIMING: 1756000 CPU: 5552.65, 0.00315265/step Wall: 5552.65, 0.00315265/step, 2.84089 hours remaining, 234.371094 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: 1756000 3982.3037 20452.4497 14412.2968 239.8439 -203446.3343 2683.6605 0.0000 0.0000 51841.6066 -109834.1730 297.9344 -161675.7796 -109468.5457 298.6398 -54.4628 -28.2780 760856.2249 5.9930 6.0495 PRESSURE: 1756200 -301.572 25.73 -293.002 25.7292 -707.72 -204.335 -293.001 -204.336 -96.0748 GPRESSURE: 1756200 -261.657 123.967 -255.47 -42.8872 -610.216 -233.504 -215.457 -299.283 -126.503 PRESSAVG: 1756200 4.01498 -2.81302 36.6543 -2.81304 -35.8114 -21.7959 36.6543 -21.7959 -9.57111 GPRESSAVG: 1756200 4.51512 -1.45948 37.0251 -1.65591 -34.5883 -22.9851 38.4906 -23.1712 -10.9128 TIMING: 1756200 CPU: 5553.28, 0.00313091/step Wall: 5553.28, 0.00313091/step, 2.82112 hours remaining, 234.371094 MB of memory in use. ENERGY: 1756200 3924.4176 20467.0771 14482.3901 264.3711 -203380.4466 2492.2794 0.0000 0.0000 52207.5627 -109542.3487 300.0376 -161749.9113 -109170.8461 299.1313 -368.4555 -332.7918 762719.7288 -13.7892 -13.6620 LDB: ============= START OF LOAD BALANCING ============== 5565.81 LDB: ============== END OF LOAD BALANCING =============== 5565.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5565.81 LDB: ============= START OF LOAD BALANCING ============== 5566.12 LDB: Largest compute 7043 load 0.030397 is 15.5% of average load 0.195491 LDB: Average compute 0.004364 is 2.2% of average load 0.195491 LDB: TIME 5566.13 LOAD: AVG 0.195491 MAX 0.214919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.57 MB LDB: TIME 5566.13 LOAD: AVG 0.195491 MAX 0.214919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: TIME 5566.13 LOAD: AVG 0.195491 MAX 0.214919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: ============== END OF LOAD BALANCING =============== 5566.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5566.13 PRESSURE: 1756400 226.277 -47.8064 -62.6798 -47.8072 506.58 -46.1032 -62.6802 -46.1024 -67.1972 GPRESSURE: 1756400 278.447 -108.521 -72.56 -42.8077 500.269 -11.6654 -81.5332 -19.7049 -33.1993 PRESSAVG: 1756400 78.9884 -31.6183 21.6284 -31.6183 -31.1155 16.2742 21.6283 16.2742 19.3859 GPRESSAVG: 1756400 77.5707 -33.1833 19.6299 -33.1407 -30.546 17.6637 22.1749 16.3642 20.6427 TIMING: 1756400 CPU: 5553.92, 0.00320003/step Wall: 5553.92, 0.00320003/step, 2.88323 hours remaining, 235.191406 MB of memory in use. ENERGY: 1756400 3962.1287 20512.0410 14517.1800 229.7951 -203614.6487 2853.0439 0.0000 0.0000 52040.6052 -109499.8548 299.0781 -161540.4600 -109133.0736 299.0176 221.8866 248.5056 761098.7411 22.4196 22.5558 PRESSURE: 1756600 -199.966 3.2612 25.1451 3.26024 -372.924 53.6396 25.1456 53.6404 -134.875 GPRESSURE: 1756600 -147.343 8.37552 -30.4628 27.6388 -350.143 86.3229 78.1367 79.887 -122.162 PRESSAVG: 1756600 -17.8068 -1.26526 27.7845 -1.26527 35.6244 -2.81384 27.7846 -2.81379 -14.6124 GPRESSAVG: 1756600 -16.5646 -1.74935 27.7317 -0.624889 35.5873 -2.12112 26.1016 -2.96396 -15.6323 TIMING: 1756600 CPU: 5554.55, 0.00315015/step Wall: 5554.55, 0.00315015/step, 2.83811 hours remaining, 235.394531 MB of memory in use. ENERGY: 1756600 3935.6859 20591.0390 14472.3173 247.0735 -203272.4029 2511.3254 0.0000 0.0000 52041.4481 -109473.5137 299.0829 -161514.9618 -109105.4659 299.5016 -235.9216 -206.5493 763139.2684 1.0684 1.1301 PRESSURE: 1756800 65.2852 98.1732 56.2228 98.1733 -169.422 208.371 56.2222 208.369 -43.4792 GPRESSURE: 1756800 43.1176 36.6588 141.55 78.4038 -129.01 178.226 51.4165 216.07 5.49435 PRESSAVG: 1756800 56.9513 19.0329 41.7849 19.033 -10.7253 -45.2519 41.7849 -45.2519 -0.481469 GPRESSAVG: 1756800 56.512 21.1903 43.4887 18.4493 -11.9007 -45.8064 42.1749 -44.4538 0.229123 TIMING: 1756800 CPU: 5555.18, 0.00314478/step Wall: 5555.18, 0.00314477/step, 2.83309 hours remaining, 235.394531 MB of memory in use. ENERGY: 1756800 4033.1058 20635.5460 14520.5538 251.4761 -203573.3664 2505.3074 0.0000 0.0000 52408.4802 -109218.8971 301.1923 -161627.3773 -108870.3535 299.6363 -49.2052 -26.7993 760520.9148 15.2482 14.9468 PRESSURE: 1757000 224.369 178.845 -84.505 178.843 -262.687 -58.8876 -84.5047 -58.8877 223.394 GPRESSURE: 1757000 153.696 48.1964 -57.7828 38.0029 -156.629 -92.3846 -62.6185 -68.3139 283.621 PRESSAVG: 1757000 52.8175 43.5424 -2.82972 43.5425 -35.5702 19.7457 -2.82969 19.7457 -3.50367 GPRESSAVG: 1757000 51.1779 42.1839 -3.20429 43.3001 -34.5845 20.5677 -3.01101 18.3548 -2.91993 TIMING: 1757000 CPU: 5555.81, 0.00315657/step Wall: 5555.81, 0.00315657/step, 2.84355 hours remaining, 235.394531 MB of memory in use. ENERGY: 1757000 4004.2986 20440.4086 14575.1489 258.0841 -203870.0323 2913.6321 0.0000 0.0000 52220.3473 -109458.1126 300.1111 -161678.4600 -109093.1228 300.0011 61.6919 93.5626 761578.3258 4.5812 4.5578 PRESSURE: 1757200 -278.247 -84.09 37.6762 -84.0899 -21.8974 -4.89486 37.6757 -4.8946 100.145 GPRESSURE: 1757200 -264.189 -98.1318 -77.3669 -15.7069 44.8874 -20.8432 37.0441 -96.5022 100.532 PRESSAVG: 1757200 23.6606 26.6605 -29.9836 26.6604 24.1114 23.9003 -29.9836 23.9003 -14.2705 GPRESSAVG: 1757200 25.1827 28.6153 -30.6604 26.5039 24.3178 22.2913 -29.2066 26.5575 -15.5743 TIMING: 1757200 CPU: 5556.44, 0.0031603/step Wall: 5556.44, 0.0031603/step, 2.84672 hours remaining, 235.394531 MB of memory in use. ENERGY: 1757200 3917.7437 20489.7088 14482.9388 239.8035 -203697.9148 2811.5768 0.0000 0.0000 52126.6918 -109629.4514 299.5728 -161756.1433 -109259.0742 299.1452 -66.6666 -39.5898 761592.4407 11.1672 11.3087 PRESSURE: 1757400 31.5392 -22.7721 140.982 -22.7729 -107.461 36.8044 140.982 36.8053 -160.694 GPRESSURE: 1757400 75.4599 -55.0019 98.2711 25.8003 -32.6799 143.632 217.81 -53.4516 -176.027 PRESSAVG: 1757400 -34.4702 -17.1787 22.8674 -17.1787 26.5415 -12.9641 22.8674 -12.9642 -3.05002 GPRESSAVG: 1757400 -34.2679 -17.7314 23.1997 -17.4315 27.3297 -13.7161 22.5338 -14.3044 -3.68278 TIMING: 1757400 CPU: 5557.07, 0.00313889/step Wall: 5557.07, 0.00313889/step, 2.82726 hours remaining, 235.394531 MB of memory in use. ENERGY: 1757400 3956.8567 20612.0113 14421.0956 259.6740 -203824.7338 2784.2998 0.0000 0.0000 52146.6901 -109644.1063 299.6877 -161790.7964 -109271.9755 299.5118 -78.8720 -44.4155 762380.8351 -3.6596 -3.5403 PRESSURE: 1757600 -162.407 30.0975 -124.48 30.0979 212.226 -214.183 -124.481 -214.182 -159.121 GPRESSURE: 1757600 -139.828 12.5744 -113.102 -30.1027 172.503 -102.523 -93.8731 -237.872 -60.1846 PRESSAVG: 1757600 33.6447 6.573 -18.0384 6.57301 -19.2588 -33.5632 -18.0384 -33.5632 -4.37803 GPRESSAVG: 1757600 34.3294 6.02328 -17.9318 6.74832 -20.3998 -32.3896 -18.5093 -33.6216 -3.71612 TIMING: 1757600 CPU: 5557.69, 0.00312457/step Wall: 5557.69, 0.00312457/step, 2.8142 hours remaining, 235.394531 MB of memory in use. ENERGY: 1757600 4067.6631 20388.1737 14548.2188 253.9468 -204010.7733 2912.0188 0.0000 0.0000 52105.0138 -109735.7383 299.4482 -161840.7522 -109369.4056 298.8111 -36.4341 -9.1699 762133.7109 3.3360 3.4045 PRESSURE: 1757800 -295.432 -34.1548 -93.8131 -34.1546 -158.703 85.036 -93.8135 85.0351 -57.1273 GPRESSURE: 1757800 -230.255 -80.149 -91.8375 -41.8701 -150.165 43.7867 -86.3584 -17.4734 -32.1738 PRESSAVG: 1757800 4.36032 -49.3733 -52.26 -49.3733 1.55953 -8.8887 -52.26 -8.88867 14.3303 GPRESSAVG: 1757800 3.46062 -51.5513 -53.3606 -47.7605 3.16673 -9.33436 -50.5245 -10.2409 13.8721 TIMING: 1757800 CPU: 5558.32, 0.00316326/step Wall: 5558.32, 0.00316326/step, 2.84886 hours remaining, 235.394531 MB of memory in use. ENERGY: 1757800 4003.6063 20423.6101 14472.1529 260.7475 -203095.6222 2365.3468 0.0000 0.0000 52025.6426 -109544.5159 298.9921 -161570.1585 -109180.0628 298.4820 -170.4206 -137.5315 761812.5368 6.7501 6.8331 PRESSURE: 1758000 -325.131 -75.8222 -149.999 -75.8233 -50.1926 -21.4919 -149.999 -21.4921 -156.787 GPRESSURE: 1758000 -215.715 -170.779 -30.2907 -116.318 -131.181 -22.8361 -237.68 44.2711 -97.2571 PRESSAVG: 1758000 6.56872 -45.6728 -68.8753 -45.6728 -24.1184 -20.8049 -68.8753 -20.8049 6.79489 GPRESSAVG: 1758000 6.02549 -43.6991 -68.1152 -49.0472 -23.444 -22.6094 -70.0472 -17.2615 7.03754 TIMING: 1758000 CPU: 5558.95, 0.0031411/step Wall: 5558.95, 0.0031411/step, 2.82873 hours remaining, 235.394531 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: 1758000 3996.1895 20606.7597 14522.4505 244.3459 -203291.9602 2699.4378 0.0000 0.0000 51920.0522 -109302.7245 298.3853 -161222.7767 -108945.3753 298.9020 -177.3702 -148.0510 761723.0854 -3.5849 -3.4603 PRESSURE: 1758200 39.5203 -161.35 20.5692 -161.35 -52.1056 -52.0835 20.5688 -52.0832 258.259 GPRESSURE: 1758200 102.695 -64.9887 69.3128 -141.544 -25.2299 -16.3469 -114.056 -91.9785 240.386 PRESSAVG: 1758200 37.2218 -24.4457 -14.4987 -24.4457 16.7598 -11.1045 -14.4987 -11.1045 19.5994 GPRESSAVG: 1758200 38.5472 -24.5893 -14.9208 -23.2481 15.2203 -9.59326 -14.3283 -12.9533 20.117 TIMING: 1758200 CPU: 5559.58, 0.00312331/step Wall: 5559.58, 0.00312331/step, 2.81254 hours remaining, 235.394531 MB of memory in use. ENERGY: 1758200 4013.1396 20383.0945 14444.4827 249.0138 -203300.8602 2445.4016 0.0000 0.0000 52226.7795 -109538.9486 300.1480 -161765.7281 -109156.4024 299.0568 81.8914 105.9505 760044.6997 24.5270 24.6282 PRESSURE: 1758400 -144.806 84.2418 38.8345 84.2413 135.287 37.5594 38.8335 37.5586 -160.806 GPRESSURE: 1758400 -23.5997 115.353 97.6724 226.514 21.5364 66.2814 -27.4235 31.1119 -83.5765 PRESSAVG: 1758400 -57.8879 0.165163 -7.81582 0.165184 26.1318 -15.9014 -7.81578 -15.9014 17.64 GPRESSAVG: 1758400 -58.0671 -0.922471 -7.82942 -0.756321 26.1371 -15.9409 -7.40699 -15.4116 17.7024 TIMING: 1758400 CPU: 5560.21, 0.00314149/step Wall: 5560.21, 0.00314149/step, 2.82874 hours remaining, 235.394531 MB of memory in use. ENERGY: 1758400 3984.6993 20549.9264 14496.8477 244.9953 -203177.0464 2455.4698 0.0000 0.0000 51778.7199 -109666.3880 297.5730 -161445.1079 -109304.9153 298.3605 -56.7751 -28.5466 761634.9658 -4.7053 -4.7425 PRESSURE: 1758600 504.853 -185.876 -85.0317 -185.876 -126.992 -7.51643 -85.0309 -7.51705 103.278 GPRESSURE: 1758600 554.664 -200.475 -123.657 -273.701 -49.6201 46.94 -52.7906 -113.203 62.3357 PRESSAVG: 1758600 31.0721 -19.4089 -32.8908 -19.4089 1.11005 -13.5126 -32.8908 -13.5126 -19.5415 GPRESSAVG: 1758600 32.1201 -19.7234 -31.43 -18.0123 0.295934 -11.8226 -32.5035 -15.5507 -19.0068 TIMING: 1758600 CPU: 5560.84, 0.00317545/step Wall: 5560.84, 0.00317545/step, 2.85914 hours remaining, 235.394531 MB of memory in use. ENERGY: 1758600 4009.1160 20453.8791 14519.0386 220.5982 -203396.5978 2892.9209 0.0000 0.0000 51946.4008 -109354.6442 298.5367 -161301.0450 -108994.2937 298.7089 160.3798 189.1265 762503.5052 4.2136 4.4698 PRESSURE: 1758800 335.143 -102.821 -89.1269 -102.82 31.1717 55.7261 -89.1255 55.726 -28.3589 GPRESSURE: 1758800 347.262 -52.7676 -88.7699 -185.469 106.457 21.3611 -131.586 146.972 -31.9961 PRESSAVG: 1758800 26.2136 10.1403 -19.8193 10.1403 -39.4939 -74.7792 -19.8193 -74.7792 21.7747 GPRESSAVG: 1758800 24.3995 10.1032 -20.2746 11.3419 -37.6425 -77.2561 -23.4103 -74.1498 21.5881 TIMING: 1758800 CPU: 5561.48, 0.00317751/step Wall: 5561.48, 0.00317751/step, 2.86082 hours remaining, 235.394531 MB of memory in use. ENERGY: 1758800 3923.2925 20475.4470 14477.6739 227.5724 -203253.1790 2848.9541 0.0000 0.0000 52119.9189 -109180.3202 299.5339 -161300.2391 -108822.9912 299.1143 112.6520 140.5742 763153.3342 2.8315 2.7817 PRESSURE: 1759000 -324.95 86.4863 -347.852 86.4862 195.225 -27.641 -347.852 -27.641 159.172 GPRESSURE: 1759000 -344.119 34.898 -319.349 116.611 249.571 10.7976 -179.996 -55.25 204.057 PRESSAVG: 1759000 -16.7846 23.3075 10.5446 23.3075 -16.9558 -69.2292 10.5446 -69.2292 -4.82373 GPRESSAVG: 1759000 -16.8795 22.6146 9.8969 23.9677 -17.4832 -68.5771 15.2272 -67.9862 -4.72202 TIMING: 1759000 CPU: 5562.11, 0.0031626/step Wall: 5562.11, 0.0031626/step, 2.84722 hours remaining, 235.394531 MB of memory in use. ENERGY: 1759000 4046.7354 20543.3193 14442.6954 223.3891 -202950.0571 2615.7473 0.0000 0.0000 51813.5263 -109264.6445 297.7730 -161078.1708 -108902.8281 298.7395 9.8157 36.5029 764077.1329 -12.8547 -13.0283 PRESSURE: 1759200 349.476 -128.092 160.897 -128.093 252.414 -6.11301 160.896 -6.11214 378.522 GPRESSURE: 1759200 412.898 -167.625 168.592 -45.1276 264.023 64.055 161.907 -96.7914 388.706 PRESSAVG: 1759200 67.9588 -1.3423 3.34936 -1.34232 -47.4962 -40.8785 3.3494 -40.8786 -3.32993 GPRESSAVG: 1759200 68.335 -1.5689 2.34968 -1.94701 -48.6902 -41.4384 2.88182 -41.1783 -2.68545 TIMING: 1759200 CPU: 5562.74, 0.00314686/step Wall: 5562.74, 0.00314686/step, 2.83287 hours remaining, 235.394531 MB of memory in use. ENERGY: 1759200 3980.8733 20458.7769 14376.9146 235.2427 -202861.9625 2565.0807 0.0000 0.0000 52145.1068 -109099.9674 299.6786 -161245.0742 -108736.7192 299.1080 326.8042 355.2091 762019.3092 5.7109 5.6531 PRESSURE: 1759400 -584.215 109.589 137.125 109.589 29.9948 3.13952 137.124 3.14045 261.6 GPRESSURE: 1759400 -490.829 80.7827 43.2001 -28.1882 10.4051 -12.902 54.6484 -45.692 266.731 PRESSAVG: 1759400 82.4165 -82.8688 15.8994 -82.8688 -82.8217 -25.0105 15.8994 -25.0106 -1.48488 GPRESSAVG: 1759400 82.7316 -82.0493 16.3887 -84.5502 -82.738 -24.043 13.945 -24.5045 -2.2643 TIMING: 1759400 CPU: 5563.36, 0.00312306/step Wall: 5563.36, 0.00312306/step, 2.81128 hours remaining, 235.394531 MB of memory in use. ENERGY: 1759400 3995.2301 20615.0430 14409.7552 273.3685 -203029.4533 2532.4210 0.0000 0.0000 52017.7986 -109185.8369 298.9470 -161203.6355 -108813.9451 299.4244 -97.5400 -71.2309 763547.3112 -0.6300 -0.7569 PRESSURE: 1759600 134.864 -317.085 -89.8367 -317.085 -36.3078 1.96266 -89.8371 1.96308 -25.1282 GPRESSURE: 1759600 209.808 -257.643 -50.6122 -245.22 40.7601 -26.0229 -64.1611 -29.3979 -96.4483 PRESSAVG: 1759600 21.8356 -33.6005 13.5312 -33.6005 -54.5384 -25.703 13.5313 -25.7029 -27.5859 GPRESSAVG: 1759600 22.4442 -34.4598 14.4302 -33.4635 -55.2891 -26.3135 15.3305 -27.1381 -27.485 TIMING: 1759600 CPU: 5563.99, 0.00314198/step Wall: 5563.99, 0.00314198/step, 2.82813 hours remaining, 235.394531 MB of memory in use. ENERGY: 1759600 4035.0845 20662.8633 14420.2814 229.0790 -202983.6277 2599.6215 0.0000 0.0000 51774.8547 -109261.8432 297.5508 -161036.6980 -108900.5640 299.2059 24.4759 51.3733 762313.6007 -20.0963 -20.1100 PRESSURE: 1759800 86.5458 -7.92876 -263.148 -7.92805 -3.15969 -111.471 -263.148 -111.469 -384.444 GPRESSURE: 1759800 64.4533 76.9845 -277.628 22.3694 78.3311 -84.6329 -307.068 -49.1016 -373.076 PRESSAVG: 1759800 33.0622 -92.2534 -47.5864 -92.2534 -66.1713 9.05253 -47.5863 9.05255 0.359352 GPRESSAVG: 1759800 32.9724 -93.0893 -49.6165 -92.9087 -65.5938 9.10929 -47.5868 10.8159 -0.507164 TIMING: 1759800 CPU: 5564.62, 0.00312864/step Wall: 5564.62, 0.00312864/step, 2.81595 hours remaining, 235.394531 MB of memory in use. ENERGY: 1759800 4058.1349 20746.3922 14460.0706 248.2729 -203030.0507 2533.2601 0.0000 0.0000 51788.8442 -109195.0758 297.6312 -160983.9200 -108841.9811 298.8657 -100.3526 -76.7639 761870.9561 -10.9166 -11.0429 PRESSURE: 1760000 -353.763 0.575262 3.40885 0.575958 -156.059 29.3481 3.40859 29.3468 -305.376 GPRESSURE: 1760000 -203.621 -210.718 100.627 -31.3573 -164.028 9.32391 -146.615 148.681 -327.133 PRESSAVG: 1760000 18.4967 51.2442 -65.2474 51.2442 23.817 -29.2568 -65.2474 -29.2567 -10.5973 GPRESSAVG: 1760000 18.5673 51.3067 -63.4972 52.5104 23.6521 -28.5442 -67.0143 -30.4305 -10.3062 TIMING: 1760000 CPU: 5565.25, 0.00314628/step Wall: 5565.25, 0.00314628/step, 2.83165 hours remaining, 235.394531 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: 1760000 4064.3363 20564.5943 14491.7185 241.1523 -202839.1626 2194.9170 0.0000 0.0000 52058.2747 -109224.1696 299.1796 -161282.4443 -108858.5214 299.1960 -271.7326 -231.5936 761652.0744 10.5721 10.6377 PRESSURE: 1760200 -240.936 -5.9435 -82.0938 -5.94349 13.9816 -44.851 -82.0934 -44.8518 198.299 GPRESSURE: 1760200 -197.94 55.9704 7.83601 -32.2977 62.6481 -144.67 -45.2269 -86.7833 194.194 PRESSAVG: 1760200 -61.5202 -44.398 3.09546 -44.398 42.3137 -50.3687 3.09549 -50.3686 16.2322 GPRESSAVG: 1760200 -63.1507 -41.5026 3.82411 -43.9867 41.9402 -52.6728 4.95627 -48.3188 17.7523 TIMING: 1760200 CPU: 5565.88, 0.00316531/step Wall: 5565.88, 0.00316531/step, 2.84861 hours remaining, 235.394531 MB of memory in use. ENERGY: 1760200 4047.2329 20696.7091 14475.0230 267.4004 -203125.6592 2612.0943 0.0000 0.0000 51800.3794 -109226.8202 297.6975 -161027.1996 -108870.4296 299.1288 -9.5520 19.6339 761406.1037 -0.9914 -1.1527 LDB: ============= START OF LOAD BALANCING ============== 5578.42 LDB: ============== END OF LOAD BALANCING =============== 5578.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5578.42 LDB: ============= START OF LOAD BALANCING ============== 5578.73 LDB: Largest compute 7037 load 0.030133 is 15.4% of average load 0.195417 LDB: Average compute 0.004397 is 2.3% of average load 0.195417 LDB: TIME 5578.74 LOAD: AVG 0.195417 MAX 0.215085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.766 MB LDB: TIME 5578.74 LOAD: AVG 0.195417 MAX 0.215085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.766 MB LDB: TIME 5578.74 LOAD: AVG 0.195417 MAX 0.215085 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.766 MB LDB: ============== END OF LOAD BALANCING =============== 5578.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5578.74 PRESSURE: 1760400 -218.046 -115.378 -126.466 -115.378 -37.3424 61.7396 -126.466 61.7405 99.6182 GPRESSURE: 1760400 -128.306 -71.9895 -204.844 -175.33 -2.06849 41.8882 -81.8011 193.355 75.117 PRESSAVG: 1760400 -23.2016 -57.2709 15.7331 -57.2709 19.3674 44.4028 15.7331 44.4028 -22.5792 GPRESSAVG: 1760400 -21.9854 -56.8776 15.1758 -59.2343 19.9868 44.181 14.2718 44.1647 -24.5613 TIMING: 1760400 CPU: 5566.53, 0.00323544/step Wall: 5566.53, 0.00323544/step, 2.91154 hours remaining, 235.578125 MB of memory in use. ENERGY: 1760400 4024.2277 20503.4807 14473.8426 240.8145 -203023.8815 2446.1107 0.0000 0.0000 52108.6801 -109226.7253 299.4693 -161335.4054 -108847.2289 299.5233 -51.9234 -18.4193 762566.0547 -8.8045 -8.8533 PRESSURE: 1760600 -243.302 -147.805 81.7374 -147.804 -315.152 52.8304 81.7383 52.8313 -45.6055 GPRESSURE: 1760600 -240.652 -171.086 61.4523 -47.9104 -246.253 63.5014 48.8418 44.0443 -14.1388 PRESSAVG: 1760600 19.2186 -10.932 7.47746 -10.9321 5.97921 -11.1637 7.47743 -11.1637 0.070116 GPRESSAVG: 1760600 19.5661 -12.2113 7.13271 -9.81834 5.05948 -9.9948 10.263 -12.4533 0.590898 TIMING: 1760600 CPU: 5567.16, 0.00315383/step Wall: 5567.16, 0.00315383/step, 2.83792 hours remaining, 235.906250 MB of memory in use. ENERGY: 1760600 4003.5161 20642.8490 14557.2397 262.5763 -203275.7603 2543.7535 0.0000 0.0000 52087.5910 -109178.2347 299.3481 -161265.8257 -108808.9304 299.6067 -201.3531 -167.0146 761520.8659 8.4226 8.4055 PRESSURE: 1760800 -65.9567 -117.913 -239.694 -117.913 -70.5874 85.2271 -239.695 85.2269 -687.091 GPRESSURE: 1760800 -87.8977 -168.636 -146.293 -55.3099 -15.4706 194.603 -174.945 -25.5723 -618.848 PRESSAVG: 1760800 -31.1995 -20.2184 -21.4723 -20.2184 24.3966 38.4873 -21.4724 38.4873 2.54641 GPRESSAVG: 1760800 -32.6906 -22.7085 -20.9751 -20.3358 25.7159 38.0144 -22.0689 39.2635 2.78534 TIMING: 1760800 CPU: 5567.79, 0.00315514/step Wall: 5567.79, 0.00315514/step, 2.83892 hours remaining, 235.906250 MB of memory in use. ENERGY: 1760800 3987.9007 20563.2887 14426.6986 238.2777 -202824.7216 2358.4860 0.0000 0.0000 52191.4141 -109058.6557 299.9448 -161250.0699 -108683.4469 299.9156 -274.5450 -240.7387 762575.2798 -1.4188 -1.3965 PRESSURE: 1761000 -295.365 193.268 -227.493 193.269 7.38562 -55.7154 -227.493 -55.7156 -161.093 GPRESSURE: 1761000 -267.139 168.013 -204.564 151.936 33.1108 -47.3228 -126.62 -17.0459 -152.611 PRESSAVG: 1761000 23.247 22.0806 30.9251 22.0806 7.26734 25.504 30.9252 25.504 10.1244 GPRESSAVG: 1761000 24.0133 22.7572 32.2079 22.5197 6.10605 25.9815 27.8927 24.4723 10.5598 TIMING: 1761000 CPU: 5568.42, 0.00315613/step Wall: 5568.42, 0.00315613/step, 2.83964 hours remaining, 235.906250 MB of memory in use. ENERGY: 1761000 3987.2118 20604.0497 14510.4930 241.1919 -202855.6288 2325.8528 0.0000 0.0000 52105.8548 -109080.9748 299.4531 -161186.8296 -108718.5283 300.0792 -149.6909 -128.8794 762861.4854 13.5463 13.5597 PRESSURE: 1761200 -194.411 50.5526 67.4855 50.5535 275.486 98.2291 67.4848 98.2279 -173.481 GPRESSURE: 1761200 -107.429 -101.869 32.3349 70.8937 292.927 9.60358 342.319 9.67957 -154.041 PRESSAVG: 1761200 -18.2755 -11.9597 26.6322 -11.9597 -0.325738 45.355 26.6322 45.3549 -1.62784 GPRESSAVG: 1761200 -18.9031 -9.19498 25.8566 -12.1401 1.42693 45.6497 29.3064 44.486 -2.47341 TIMING: 1761200 CPU: 5569.05, 0.00313163/step Wall: 5569.05, 0.00313163/step, 2.81743 hours remaining, 235.906250 MB of memory in use. ENERGY: 1761200 3983.6801 20638.5781 14422.0113 236.5948 -203172.2511 2667.8690 0.0000 0.0000 52214.9284 -109008.5894 300.0799 -161223.5178 -108634.2816 300.5366 -30.8023 10.4858 760594.8779 -6.7430 -6.6498 PRESSURE: 1761400 -267.645 200.976 -149.468 200.977 406.298 128.116 -149.468 128.115 68.5769 GPRESSURE: 1761400 -180.043 84.6838 -63.0221 136.451 310.875 173.864 -150.073 75.1227 155.675 PRESSAVG: 1761400 15.0903 25.7014 64.8395 25.7014 -12.301 14.5742 64.8395 14.5742 -13.1625 GPRESSAVG: 1761400 15.1122 23.8708 66.0524 24.4945 -12.7997 14.605 63.8639 15.1092 -12.8548 TIMING: 1761400 CPU: 5569.67, 0.00313587/step Wall: 5569.67, 0.00313587/step, 2.82106 hours remaining, 235.906250 MB of memory in use. ENERGY: 1761400 4016.7614 20545.6939 14449.9716 237.2701 -203746.9357 2828.2489 0.0000 0.0000 52394.7693 -109274.2205 301.1135 -161668.9898 -108912.6347 300.3481 69.0766 95.5022 761233.6864 -3.4577 -3.5141 PRESSURE: 1761600 -28.5829 -238.605 179.87 -238.604 -92.0579 -202.217 179.87 -202.217 -32.385 GPRESSURE: 1761600 -70.4997 -128.155 153.68 -185.966 -11.5537 -188.401 291.064 -147.343 -3.29069 PRESSAVG: 1761600 26.8464 21.1142 30.4173 21.1142 26.5153 -43.8163 30.4174 -43.8162 5.02938 GPRESSAVG: 1761600 26.4858 21.752 29.5095 19.9322 26.5189 -43.6359 29.4232 -43.8545 5.28985 TIMING: 1761600 CPU: 5570.3, 0.00311328/step Wall: 5570.3, 0.00311328/step, 2.80057 hours remaining, 235.906250 MB of memory in use. ENERGY: 1761600 3913.6631 20674.8733 14475.9435 272.8897 -203373.5817 2486.9981 0.0000 0.0000 52299.6060 -109249.6082 300.5666 -161549.2142 -108879.0738 299.4803 -51.0086 -28.4480 762044.3018 19.4637 19.4315 PRESSURE: 1761800 -160.855 89.4154 -150.076 89.415 -268.364 -11.3236 -150.077 -11.3231 -212.809 GPRESSURE: 1761800 -55.5245 73.2287 -171.018 132.779 -290.433 -109.673 -202.678 -0.106569 -209.39 PRESSAVG: 1761800 -50.4503 -16.9682 -15.1526 -16.9682 42.1523 30.591 -15.1526 30.591 19.748 GPRESSAVG: 1761800 -50.4412 -15.9181 -14.6113 -18.3113 42.8519 31.5355 -16.1587 30.9153 18.8079 TIMING: 1761800 CPU: 5570.92, 0.00313423/step Wall: 5570.92, 0.00313423/step, 2.81924 hours remaining, 235.906250 MB of memory in use. ENERGY: 1761800 3926.3049 20733.9712 14421.1515 240.9490 -203037.0047 2234.0867 0.0000 0.0000 52111.1463 -109369.3952 299.4835 -161480.5414 -109005.9973 299.5512 -214.0093 -185.1160 762306.8213 3.8167 3.7395 PRESSURE: 1762000 -98.4971 23.5351 334.813 23.535 228.982 223.148 334.813 223.149 -184.387 GPRESSURE: 1762000 -18.5941 15.7459 338.604 12.5886 107.128 128.099 223 100.721 -68.003 PRESSAVG: 1762000 -33.905 -8.51736 -7.53398 -8.5174 36.3159 16.8392 -7.53396 16.8392 13.6827 GPRESSAVG: 1762000 -34.566 -9.42873 -7.86334 -6.56652 36.0942 16.7496 -5.81856 16.5375 14.5749 TIMING: 1762000 CPU: 5571.55, 0.00313676/step Wall: 5571.55, 0.00313676/step, 2.82134 hours remaining, 235.906250 MB of memory 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 3983.2105 20423.0992 14480.0822 261.4484 -203283.7430 2565.9355 0.0000 0.0000 52109.0236 -109460.9436 299.4713 -161569.9672 -109091.5300 299.2299 -17.9674 6.8437 763077.5096 5.3645 5.3677 PRESSURE: 1762200 -342.972 -192.448 159.143 -192.448 -169.002 80.7998 159.143 80.7994 549.931 GPRESSURE: 1762200 -230.566 -181.247 145.776 -144.235 -190.109 2.00232 131.686 -13.3773 550.783 PRESSAVG: 1762200 22.5583 4.3796 -49.6847 4.37967 -27.9698 -1.94251 -49.6847 -1.94256 -3.48323 GPRESSAVG: 1762200 24.4507 5.79794 -49.4681 4.52749 -28.994 -2.9286 -50.8289 -3.09863 -3.94609 TIMING: 1762200 CPU: 5572.18, 0.00312842/step Wall: 5572.18, 0.00312842/step, 2.81366 hours remaining, 235.906250 MB of memory in use. ENERGY: 1762200 3959.8423 20483.0410 14568.0651 240.1437 -203193.0694 2376.3517 0.0000 0.0000 52073.1278 -109492.4979 299.2650 -161565.6257 -109122.5411 298.8716 12.6522 43.3694 763256.9378 -2.9649 -2.8298 PRESSURE: 1762400 -66.3676 -186.618 -124.202 -186.618 96.4186 27.3362 -124.203 27.3361 -53.8895 GPRESSURE: 1762400 -39.6507 -153.187 -85.5173 -180.134 85.7196 28.8646 -43.0648 149.184 -15.1151 PRESSAVG: 1762400 64.849 -17.9532 -28.788 -17.9532 -48.9659 68.2717 -28.788 68.2718 8.15624 GPRESSAVG: 1762400 63.9656 -18.55 -28.6257 -18.4374 -49.1201 68.2543 -29.8103 69.5008 8.59138 TIMING: 1762400 CPU: 5572.81, 0.00314616/step Wall: 5572.81, 0.00314616/step, 2.82945 hours remaining, 235.906250 MB of memory in use. ENERGY: 1762400 4087.5835 20788.3053 14485.0175 257.1272 -203367.8722 2693.9506 0.0000 0.0000 51763.3407 -109292.5474 297.4846 -161055.8881 -108941.6600 298.8651 -7.9462 10.3179 763333.1851 8.0131 7.8123 PRESSURE: 1762600 50.0713 172.592 170.689 172.591 -163.628 87.2584 170.689 87.2586 33.0759 GPRESSURE: 1762600 69.6383 99.4345 178.554 70.4006 -119.257 64.0394 89.9626 52.954 66.503 PRESSAVG: 1762600 -12.6457 16.8471 -1.50053 16.8471 -15.5816 -33.0741 -1.5005 -33.0741 -14.462 GPRESSAVG: 1762600 -11.8364 15.4773 -2.42036 17.8319 -15.7545 -31.9526 1.11716 -33.6452 -15.1212 TIMING: 1762600 CPU: 5573.43, 0.00314312/step Wall: 5573.43, 0.00314312/step, 2.82654 hours remaining, 235.906250 MB of memory in use. ENERGY: 1762600 3992.2448 20501.6674 14594.0140 251.4485 -203399.5301 2743.8857 0.0000 0.0000 52024.3009 -109291.9688 298.9844 -161316.2697 -108927.0227 299.3476 -26.8271 5.6282 763194.2669 -14.2298 -14.2374 PRESSURE: 1762800 -226.618 -188.358 58.2748 -188.358 -375.312 -87.0737 58.274 -87.073 22.3708 GPRESSURE: 1762800 -128.166 -201.015 30.2752 -111.724 -400.855 -169.478 27.0953 -107.917 29.2084 PRESSAVG: 1762800 53.956 -44.0234 26.2693 -44.0233 -40.3965 22.8771 26.2693 22.877 1.54043 GPRESSAVG: 1762800 53.618 -43.4178 27.0278 -43.2401 -40.1388 22.5603 27.0674 22.3936 1.56716 TIMING: 1762800 CPU: 5574.06, 0.00313679/step Wall: 5574.06, 0.00313679/step, 2.82067 hours remaining, 235.906250 MB of memory in use. ENERGY: 1762800 4086.1012 20715.0347 14504.8721 244.0136 -203621.8265 2618.0622 0.0000 0.0000 52170.0782 -109283.6645 299.8222 -161453.7427 -108919.2659 299.2868 -193.1865 -166.6040 763720.6557 5.0333 5.0155 PRESSURE: 1763000 -201.826 136.259 -234.171 136.259 -80.9362 89.5619 -234.171 89.5621 128.066 GPRESSURE: 1763000 -154.43 76.9418 -213.354 48.9933 -102.126 70.294 -223.28 -0.211596 180.47 PRESSAVG: 1763000 8.37026 -3.19043 -2.51271 -3.19041 13.7443 51.4796 -2.51266 51.4796 -1.91026 GPRESSAVG: 1763000 8.13792 -2.59581 -2.24721 -5.16218 14.3128 51.9661 -3.21742 52.8093 -1.84486 TIMING: 1763000 CPU: 5574.69, 0.00314738/step Wall: 5574.69, 0.00314738/step, 2.83002 hours remaining, 235.906250 MB of memory in use. ENERGY: 1763000 4090.4029 20614.9653 14475.1619 254.2404 -203485.6990 2539.5799 0.0000 0.0000 52021.6501 -109489.6984 298.9691 -161511.3486 -109126.0333 299.7495 -51.5655 -25.3617 764756.8944 6.7348 6.8686 PRESSURE: 1763200 124.51 161.392 9.18046 161.392 -189.837 -34.9646 9.17967 -34.9652 110.714 GPRESSURE: 1763200 218.055 244.775 30.3674 137.563 -183.608 29.6443 37.6325 -58.8592 102.357 PRESSAVG: 1763200 9.2638 -33.4832 -1.0245 -33.4832 -19.9455 -22.0855 -1.02451 -22.0856 -11.4071 GPRESSAVG: 1763200 9.31989 -33.7616 -2.01898 -33.144 -20.9308 -23.2536 -0.62601 -23.0223 -10.7271 TIMING: 1763200 CPU: 5575.32, 0.00314199/step Wall: 5575.32, 0.00314199/step, 2.825 hours remaining, 235.906250 MB of memory in use. ENERGY: 1763200 4015.7624 20451.1291 14503.6826 246.5851 -203555.8563 2648.8223 0.0000 0.0000 52391.1211 -109298.7536 301.0925 -161689.8748 -108928.3884 299.5435 15.1289 45.6013 763125.5198 -7.3629 -7.4460 PRESSURE: 1763400 -416.881 40.1284 -230.028 40.128 -97.4548 -68.0732 -230.028 -68.0744 -18.8192 GPRESSURE: 1763400 -338.759 -67.3469 -246.852 -47.9066 -97.3126 -19.0529 -273.922 -143.88 0.451508 PRESSAVG: 1763400 28.0155 -37.2155 -5.3396 -37.2155 15.407 -10.8488 -5.33957 -10.8488 10.1565 GPRESSAVG: 1763400 27.8762 -38.3365 -2.8092 -34.6032 16.1744 -10.6139 -6.21818 -10.693 9.42583 TIMING: 1763400 CPU: 5575.94, 0.0031122/step Wall: 5575.94, 0.0031122/step, 2.79804 hours remaining, 235.906250 MB of memory in use. ENERGY: 1763400 4092.1378 20632.4863 14470.3455 240.5322 -203337.7717 2462.6961 0.0000 0.0000 52041.6311 -109397.9426 299.0840 -161439.5737 -109038.5415 299.6625 -177.7182 -145.2068 761736.3760 17.8597 17.8255 PRESSURE: 1763600 141.458 -90.7979 136.93 -90.7978 253.095 -25.4986 136.931 -25.499 272.801 GPRESSURE: 1763600 183.753 -19.1457 230.196 -58.7139 245.644 72.9736 32.7493 20.8995 326.231 PRESSAVG: 1763600 -18.9906 -26.0345 24.4924 -26.0345 8.36595 -23.705 24.4924 -23.7051 4.52712 GPRESSAVG: 1763600 -17.6188 -23.8094 22.9373 -29.1179 7.93165 -22.2416 23.6438 -22.6253 4.15329 TIMING: 1763600 CPU: 5576.57, 0.00312026/step Wall: 5576.57, 0.00312026/step, 2.80511 hours remaining, 235.906250 MB of memory in use. ENERGY: 1763600 4070.4308 20419.8795 14508.0443 240.9879 -203841.4427 3033.3339 0.0000 0.0000 52204.4875 -109364.2789 300.0199 -161568.7664 -109007.9235 299.8491 222.4512 251.8759 761335.5003 -2.0325 -1.8446 PRESSURE: 1763800 22.2927 -27.252 28.2507 -27.2519 117.785 -139.385 28.2502 -139.385 -216.519 GPRESSURE: 1763800 -6.9961 -58.8763 73.4092 -152.5 131.688 -75.3768 50.1848 -182.223 -107.456 PRESSAVG: 1763800 -16.4148 -22.7356 -44.7022 -22.7356 6.78501 -4.20545 -44.7022 -4.20544 -21.2226 GPRESSAVG: 1763800 -17.5692 -26.2865 -43.5101 -20.0498 7.74288 -7.31783 -43.2342 -4.54948 -20.2839 TIMING: 1763800 CPU: 5577.19, 0.00313444/step Wall: 5577.19, 0.00313444/step, 2.81768 hours remaining, 235.906250 MB of memory in use. ENERGY: 1763800 4047.4385 20610.3354 14436.6361 225.3689 -203524.2321 2656.9396 0.0000 0.0000 52308.5014 -109239.0123 300.6177 -161547.5137 -108877.5432 299.9296 -25.4802 5.7455 762517.2202 -10.2841 -10.0367 PRESSURE: 1764000 -107.112 176.864 -76.8943 176.864 336.404 52.9529 -76.8943 52.9527 262.963 GPRESSURE: 1764000 -87.1718 -11.1359 47.7542 111.881 297.716 -9.56207 -209.539 85.33 353.298 PRESSAVG: 1764000 25.2081 25.8775 13.1822 25.8776 -29.0763 10.2063 13.1822 10.2063 35.6906 GPRESSAVG: 1764000 26.2484 28.8657 13.8614 23.2155 -29.6854 12.5418 11.009 9.39675 35.9958 TIMING: 1764000 CPU: 5577.82, 0.00313584/step Wall: 5577.82, 0.00313584/step, 2.81877 hours remaining, 235.906250 MB of memory 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 4015.0186 20523.0752 14488.8690 250.3942 -203230.7869 2839.8284 0.0000 0.0000 52104.5165 -109009.0852 299.4454 -161113.6016 -108640.7223 299.8138 164.0850 187.9474 762982.7489 10.6075 10.8529 PRESSURE: 1764200 210.804 180.66 -140.757 180.66 -115.216 89.1429 -140.757 89.1438 49.9611 GPRESSURE: 1764200 154.176 263.217 -178.451 184.606 -50.2257 115.935 -48.0786 93.6203 113.645 PRESSAVG: 1764200 -38.7235 34.9647 -48.3092 34.9647 -20.8704 -14.716 -48.3092 -14.7159 -29.7216 GPRESSAVG: 1764200 -39.3506 35.8105 -49.3835 36.1796 -20.8573 -15.0412 -46.1787 -13.5467 -29.1609 TIMING: 1764200 CPU: 5578.45, 0.00314252/step Wall: 5578.45, 0.00314252/step, 2.8246 hours remaining, 235.906250 MB of memory in use. ENERGY: 1764200 3965.4861 20544.8138 14433.0948 239.3788 -203741.2681 3021.3829 0.0000 0.0000 52410.3429 -109126.7689 301.2030 -161537.1118 -108760.7381 299.9739 48.5161 72.5320 763252.6500 -29.7718 -29.7896 LDB: ============= START OF LOAD BALANCING ============== 5590.98 LDB: ============== END OF LOAD BALANCING =============== 5590.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5590.98 LDB: ============= START OF LOAD BALANCING ============== 5591.3 LDB: Largest compute 7037 load 0.029626 is 15.2% of average load 0.195390 LDB: Average compute 0.004375 is 2.2% of average load 0.195390 LDB: TIME 5591.3 LOAD: AVG 0.19539 MAX 0.21273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.02 MB LDB: TIME 5591.3 LOAD: AVG 0.19539 MAX 0.21273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: TIME 5591.3 LOAD: AVG 0.19539 MAX 0.21273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: ============== END OF LOAD BALANCING =============== 5591.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5591.31 PRESSURE: 1764400 -117.605 -29.8337 -197.91 -29.8341 -72.5137 88.875 -197.91 88.8741 196.124 GPRESSURE: 1764400 -72.9939 16.1716 -179.804 18.9738 -37.2713 154.716 -165.052 52.9607 200.933 PRESSAVG: 1764400 35.2862 50.8924 -33.0278 50.8925 9.31033 16.4462 -33.0278 16.4461 22.5107 GPRESSAVG: 1764400 35.3536 48.5656 -33.8617 51.2958 9.39946 17.408 -33.383 14.3877 22.446 TIMING: 1764400 CPU: 5579.09, 0.00321107/step Wall: 5579.09, 0.00321107/step, 2.88604 hours remaining, 235.304688 MB of memory in use. ENERGY: 1764400 3999.1929 20767.1226 14411.4172 270.4854 -203134.3945 2672.7528 0.0000 0.0000 51818.5319 -109194.8916 297.8018 -161013.4235 -108830.1108 299.6959 2.0019 30.2228 762380.4694 22.3691 22.3997 PRESSURE: 1764600 -65.0881 52.8219 245.2 52.8213 68.8842 -1.54762 245.2 -1.54843 18.8983 GPRESSURE: 1764600 37.0055 105.736 238.853 2.89929 64.0652 109.701 263.764 -28.6213 14.6021 PRESSAVG: 1764600 -36.6697 20.5468 15.3788 20.5468 27.5527 39.0748 15.3788 39.0749 1.53258 GPRESSAVG: 1764600 -34.9469 20.8202 15.3678 22.8025 26.7886 38.1013 13.5463 40.4943 0.996695 TIMING: 1764600 CPU: 5579.72, 0.00314034/step Wall: 5579.72, 0.00314034/step, 2.82229 hours remaining, 235.304688 MB of memory in use. ENERGY: 1764600 3975.9335 20523.5663 14472.7354 251.5655 -203195.3115 2697.6616 0.0000 0.0000 51986.4426 -109287.4066 298.7668 -161273.8493 -108922.9453 299.3065 7.5648 38.5576 761677.1660 -2.5281 -2.3872 PRESSURE: 1764800 -88.0219 50.9485 -92.6472 50.9487 -18.1721 259.776 -92.6459 259.777 -306.439 GPRESSURE: 1764800 -76.083 75.6293 -95.1612 -116.603 87.2218 251.885 -65.2922 153.765 -350.508 PRESSAVG: 1764800 32.0257 28.898 -10.6653 28.898 19.0471 -21.6639 -10.6654 -21.6639 0.604965 GPRESSAVG: 1764800 31.5369 31.274 -10.5276 23.6235 20.0174 -20.1242 -8.6825 -22.2434 0.208818 TIMING: 1764800 CPU: 5580.35, 0.00314152/step Wall: 5580.35, 0.00314152/step, 2.82318 hours remaining, 235.304688 MB of memory in use. ENERGY: 1764800 3900.6984 20685.0390 14477.2217 247.3964 -202761.8764 2161.1255 0.0000 0.0000 52214.0041 -109076.3914 300.0746 -161290.3954 -108717.0345 299.2722 -137.5442 -113.1231 762435.5755 17.2259 17.2544 PRESSURE: 1765000 178.663 143.073 -26.915 143.072 150.97 -108.579 -26.9152 -108.579 -116.098 GPRESSURE: 1765000 155.216 119.393 -105.482 164.935 238.017 -51.7662 -20.2896 53.9527 -95.6777 PRESSAVG: 1765000 32.9596 -11.6707 -19.4817 -11.6707 -16.347 0.320952 -19.4817 0.320929 16.2617 GPRESSAVG: 1765000 32.563 -12.1107 -19.2151 -9.76756 -16.2732 -1.90775 -21.289 2.70011 16.8535 TIMING: 1765000 CPU: 5580.97, 0.00312427/step Wall: 5580.97, 0.00312427/step, 2.80751 hours remaining, 235.304688 MB of memory in use. ENERGY: 1765000 3959.6828 20559.6178 14426.9914 243.6249 -202851.6746 2437.6241 0.0000 0.0000 52125.0574 -109099.0762 299.5634 -161224.1336 -108734.9711 299.4485 71.1784 99.1851 762738.4865 10.9581 11.0478 PRESSURE: 1765200 -190.532 -32.0015 -148.077 -32.003 -277.059 2.31033 -148.078 2.31034 -79.525 GPRESSURE: 1765200 -102.629 -127.258 -37.0081 -76.6848 -327.284 53.5303 -207.351 12.3312 -31.8243 PRESSAVG: 1765200 17.7261 -32.5437 -17.1448 -32.5437 4.90923 -9.0254 -17.1448 -9.02549 1.25322 GPRESSAVG: 1765200 19.2497 -35.1075 -15.8941 -30.7784 4.97843 -9.00324 -16.8114 -8.58071 -0.314983 TIMING: 1765200 CPU: 5581.6, 0.00313342/step Wall: 5581.6, 0.00313342/step, 2.81555 hours remaining, 235.304688 MB of memory in use. ENERGY: 1765200 3928.1488 20558.9735 14500.6220 249.2506 -202688.4155 2194.6464 0.0000 0.0000 52125.9450 -109130.8293 299.5685 -161256.7743 -108765.3904 299.9983 -182.3719 -153.9125 763528.5106 7.9629 7.9711 PRESSURE: 1765400 -386.393 -188.384 -61.4226 -188.383 311.886 85.3216 -61.4233 85.3207 -201.878 GPRESSURE: 1765400 -316.059 -118.037 -74.3487 -32.1266 286.892 96.8547 -92.6123 -20.7275 -169.576 PRESSAVG: 1765400 23.4578 -21.0598 11.9075 -21.0597 -1.73297 40.6876 11.9075 40.6876 7.52356 GPRESSAVG: 1765400 23.288 -18.7561 11.5445 -21.0774 -2.45715 41.4356 9.44425 37.5119 8.54091 TIMING: 1765400 CPU: 5582.22, 0.00313154/step Wall: 5582.22, 0.00313154/step, 2.81369 hours remaining, 235.304688 MB of memory in use. ENERGY: 1765400 4076.1728 20371.1139 14467.5836 250.0988 -203064.8654 2696.4008 0.0000 0.0000 52033.6353 -109169.8602 299.0380 -161203.4955 -108812.1143 299.5522 -92.1282 -66.2478 762835.8570 9.7495 9.7906 PRESSURE: 1765600 409.965 -120.915 -59.9802 -120.916 -149.546 233.201 -59.979 233.202 -446.898 GPRESSURE: 1765600 522.072 -158.287 -126.414 -104.104 -151.156 163.159 1.81761 270.159 -465.772 PRESSAVG: 1765600 18.8761 -7.7343 29.5853 -7.73428 -20.3885 -10.7666 29.5853 -10.7666 -2.19921 GPRESSAVG: 1765600 17.7522 -8.34527 28.9918 -9.61832 -20.4543 -10.9367 31.2507 -10.3912 -1.05284 TIMING: 1765600 CPU: 5582.85, 0.00315124/step Wall: 5582.85, 0.00315124/step, 2.83121 hours remaining, 235.304688 MB of memory in use. ENERGY: 1765600 4130.8068 20515.9384 14524.7064 231.2312 -202888.6219 2480.1474 0.0000 0.0000 52048.0023 -108957.7893 299.1206 -161005.7916 -108598.2202 299.8605 -62.1595 -31.6187 762271.5448 -1.2372 -1.2517 PRESSURE: 1765800 3.59739 216.217 99.5835 216.217 -87.5872 -8.28085 99.5846 -8.2808 -540.443 GPRESSURE: 1765800 -9.60525 144.39 126.485 280.725 18.0591 9.42919 -49.5311 13.3329 -527.27 PRESSAVG: 1765800 -12.7878 27.3892 -29.5517 27.3892 12.6472 -69.9047 -29.5516 -69.9046 18.2341 GPRESSAVG: 1765800 -12.676 29.2623 -30.7309 28.7079 13.7131 -70.4108 -29.3512 -69.0735 16.16 TIMING: 1765800 CPU: 5583.48, 0.00314016/step Wall: 5583.48, 0.00314016/step, 2.82108 hours remaining, 235.304688 MB of memory in use. ENERGY: 1765800 4060.8193 20342.3357 14355.9356 232.9349 -202540.0976 2417.5796 0.0000 0.0000 52093.2753 -109037.2171 299.3808 -161130.4925 -108674.4194 299.9367 -208.1444 -172.9387 763217.5254 6.0312 5.7324 PRESSURE: 1766000 196.861 -135.06 293.719 -135.059 153.088 -87.7646 293.718 -87.7639 -328.93 GPRESSURE: 1766000 121.811 -51.0427 247.622 -155.052 222.281 -160.367 245.211 -129.833 -256.46 PRESSAVG: 1766000 -30.6234 -34.5164 32.2921 -34.5164 44.8004 -8.34441 32.292 -8.34445 -6.06249 GPRESSAVG: 1766000 -29.8709 -35.0688 31.4286 -35.3472 43.6802 -8.18532 33.2882 -8.68553 -5.46798 TIMING: 1766000 CPU: 5584.11, 0.00313997/step Wall: 5584.11, 0.00313997/step, 2.82074 hours remaining, 235.304688 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: 1766000 3972.2715 20649.4978 14426.0749 255.2979 -203384.5600 2636.3768 0.0000 0.0000 52135.3519 -109309.6892 299.6226 -161445.0411 -108957.2067 299.8200 7.0065 29.2108 761829.4681 2.7048 2.7805 PRESSURE: 1766200 160.377 -155.426 175.262 -155.427 157.788 378.766 175.261 378.765 -175.235 GPRESSURE: 1766200 254.867 -155.926 147.042 -195.622 207.701 377.251 161.693 261.285 -244.931 PRESSAVG: 1766200 -49.5463 -30.6334 -14.7617 -30.6333 0.553013 30.9155 -14.7618 30.9156 -0.425612 GPRESSAVG: 1766200 -50.3647 -31.3143 -14.8924 -28.8792 2.1719 31.3444 -15.6964 29.9617 -1.45374 TIMING: 1766200 CPU: 5584.75, 0.00317522/step Wall: 5584.75, 0.00317522/step, 2.85223 hours remaining, 235.304688 MB of memory in use. ENERGY: 1766200 3912.9249 20446.0773 14470.4477 247.2718 -202962.8736 2599.9749 0.0000 0.0000 51999.3819 -109286.7950 298.8412 -161286.1769 -108925.6081 299.3654 47.6431 72.5456 762466.7360 -16.4730 -16.5488 PRESSURE: 1766400 -28.7688 55.2415 -127.084 55.2416 -203.209 152.881 -127.084 152.881 -82.8914 GPRESSURE: 1766400 0.349091 31.3186 -145.211 -24.2596 -228.094 274.781 70.1181 203.511 -1.08078 PRESSAVG: 1766400 6.95648 15.0276 -8.83396 15.0276 -42.3433 34.8936 -8.83398 34.8935 11.9775 GPRESSAVG: 1766400 7.62038 14.3176 -7.07584 13.8584 -43.6916 34.7595 -8.94382 36.2239 12.8467 TIMING: 1766400 CPU: 5585.38, 0.00314659/step Wall: 5585.38, 0.00314659/step, 2.82634 hours remaining, 235.304688 MB of memory in use. ENERGY: 1766400 3949.7006 20533.8258 14469.3050 238.1369 -203300.4541 2750.0418 0.0000 0.0000 51936.0332 -109423.4107 298.4771 -161359.4439 -109062.4571 299.1032 -104.9562 -76.2754 761557.2793 -7.8031 -7.7415 PRESSURE: 1766600 -491.913 -119.093 -262.534 -119.094 -97.0256 79.0455 -262.534 79.0445 -233.56 GPRESSURE: 1766600 -380.913 -112.458 -356.891 -57.6377 -53.782 41.666 -273.714 15.1849 -292.386 PRESSAVG: 1766600 14.8231 -12.6885 24.8945 -12.6885 -14.771 8.40692 24.8944 8.40687 18.7944 GPRESSAVG: 1766600 15.2338 -13.2069 22.8769 -13.0401 -15.8119 8.36676 26.1758 9.40597 19.24 TIMING: 1766600 CPU: 5586, 0.0031416/step Wall: 5586, 0.0031416/step, 2.82168 hours remaining, 235.304688 MB of memory in use. ENERGY: 1766600 4007.5812 20522.6027 14534.9793 247.6426 -202803.0328 2206.8873 0.0000 0.0000 51926.5385 -109356.8012 298.4225 -161283.3398 -108990.2735 299.1812 -274.1664 -242.3601 761418.6706 6.2822 6.2206 PRESSURE: 1766800 8.5903 62.3376 -54.5074 62.3377 -176.252 81.0827 -54.5073 81.0828 -67.6585 GPRESSURE: 1766800 11.4377 -45.2171 68.1654 68.9292 -100.197 37.2568 -13.1279 186.37 -48.7634 PRESSAVG: 1766800 -42.1826 -53.7831 10.8828 -53.7831 46.0926 10.5761 10.8828 10.5762 -8.84344 GPRESSAVG: 1766800 -42.6967 -50.6373 12.0163 -55.1629 47.1031 10.6555 11.0158 9.40342 -8.75371 TIMING: 1766800 CPU: 5586.64, 0.00316066/step Wall: 5586.64, 0.00316066/step, 2.83863 hours remaining, 235.304688 MB of memory in use. ENERGY: 1766800 3955.2831 20545.9672 14486.7181 253.0790 -203336.4747 2581.4725 0.0000 0.0000 52257.2830 -109256.6718 300.3233 -161513.9548 -108897.1517 299.4751 -78.4402 -45.8408 760488.4466 -1.6445 -1.4491 PRESSURE: 1767000 -191.576 27.4085 -5.69568 27.4083 -120.666 -59.3909 -5.6951 -59.3903 450.02 GPRESSURE: 1767000 -101.215 94.1037 -3.02816 -84.4983 -57.9281 -25.4756 -185.934 -67.1197 389.149 PRESSAVG: 1767000 -3.69017 -45.7069 4.57371 -45.7068 59.1435 -0.240215 4.5737 -0.240216 -4.40276 GPRESSAVG: 1767000 -3.04149 -47.9475 5.67644 -45.2233 59.2673 0.0545021 2.68389 -0.180576 -5.28479 TIMING: 1767000 CPU: 5587.26, 0.00313805/step Wall: 5587.26, 0.00313805/step, 2.81814 hours remaining, 235.304688 MB of memory in use. ENERGY: 1767000 3920.4287 20504.2581 14472.0923 233.0552 -203186.7561 2422.7661 0.0000 0.0000 52264.4822 -109369.6737 300.3647 -161634.1559 -108993.9272 299.3867 45.9260 76.6685 760490.2331 17.0169 16.9803 PRESSURE: 1767200 -5.74851 -83.6271 47.0293 -83.6264 59.0058 391.19 47.0292 391.19 201.341 GPRESSURE: 1767200 25.1476 14.5882 -4.60168 6.80813 95.8653 375.055 53.1762 253.594 193.679 PRESSAVG: 1767200 -14.0312 -21.6364 -47.3149 -21.6364 1.69155 44.887 -47.3149 44.8871 -19.0647 GPRESSAVG: 1767200 -14.1871 -21.6929 -49.0867 -19.6774 1.54444 45.6149 -46.6986 44.1693 -18.8635 TIMING: 1767200 CPU: 5587.9, 0.0031606/step Wall: 5587.9, 0.0031606/step, 2.83822 hours remaining, 235.304688 MB of memory in use. ENERGY: 1767200 3957.3064 20363.1723 14458.7246 270.4533 -203442.0374 2662.9486 0.0000 0.0000 52375.4389 -109353.9931 301.0024 -161729.4321 -108984.3307 299.3801 84.8660 104.8973 761398.1675 -10.4681 -10.5021 PRESSURE: 1767400 -45.142 -130.963 -100.972 -130.963 -145.689 -72.0707 -100.972 -72.0695 -30.0124 GPRESSURE: 1767400 -65.3108 -153.201 -37.5333 -92.3544 -79.3419 -72.2736 -109.837 -26.7308 6.47759 PRESSAVG: 1767400 -24.3147 20.6459 -7.38321 20.6459 24.8096 25.9728 -7.38323 25.9728 3.29537 GPRESSAVG: 1767400 -24.4209 21.6484 -6.92533 20.2565 25.0585 23.9409 -5.0098 26.0436 3.6167 TIMING: 1767400 CPU: 5588.52, 0.00314861/step Wall: 5588.52, 0.00314861/step, 2.82728 hours remaining, 235.304688 MB of memory in use. ENERGY: 1767400 4002.4163 20654.8339 14484.6496 235.4897 -203187.3880 2456.7619 0.0000 0.0000 52196.4103 -109156.8262 299.9735 -161353.2366 -108801.3723 299.8225 -73.6143 -46.0584 762354.7632 1.2634 1.4181 PRESSURE: 1767600 -47.9556 126.801 -109.002 126.8 237.275 -1.74556 -109.002 -1.74563 17.9414 GPRESSURE: 1767600 10.9468 120.741 -36.3558 249.51 201.603 -166.252 -22.3998 -11.5121 59.2998 PRESSAVG: 1767600 34.2291 4.74173 -37.4494 4.74179 -27.2292 -31.1913 -37.4494 -31.1913 -16.6682 GPRESSAVG: 1767600 34.1275 3.64063 -36.8042 4.06329 -27.8419 -31.7773 -38.791 -30.5127 -15.8105 TIMING: 1767600 CPU: 5589.15, 0.00314033/step Wall: 5589.15, 0.00314033/step, 2.81967 hours remaining, 235.304688 MB of memory in use. ENERGY: 1767600 3921.7306 20709.2153 14491.4663 239.5256 -203897.0010 3053.0531 0.0000 0.0000 52377.6246 -109104.3856 301.0149 -161482.0101 -108732.8983 300.1354 69.0868 90.6165 760969.6895 -3.2228 -3.1750 PRESSURE: 1767800 -2.73455 126.286 -5.78622 126.286 -397.853 -26.9653 -5.78687 -26.9645 340.663 GPRESSURE: 1767800 54.9646 14.9379 -75.9474 27.7267 -297.369 71.2396 32.8491 23.4961 283.637 PRESSAVG: 1767800 34.838 -28.16 -53.0796 -28.16 3.11094 34.2384 -53.0796 34.2386 -1.54624 GPRESSAVG: 1767800 34.1989 -27.0972 -54.138 -28.6558 4.35361 36.5021 -54.6239 33.3253 -2.01495 TIMING: 1767800 CPU: 5589.78, 0.00315439/step Wall: 5589.78, 0.00315439/step, 2.83211 hours remaining, 235.304688 MB of memory in use. ENERGY: 1767800 4064.1723 20558.4018 14511.8035 249.3207 -203339.0681 2815.0819 0.0000 0.0000 51874.6556 -109265.6322 298.1244 -161140.2879 -108908.0774 299.7980 -19.9749 13.7440 761273.5106 12.1342 12.1792 PRESSURE: 1768000 -205.51 -123.404 -86.4949 -123.404 -210.232 173.704 -86.4964 173.703 44.8119 GPRESSURE: 1768000 -138.557 -162.235 -107.192 -15.3543 -222.505 195.817 -113.272 134.288 63.1559 PRESSAVG: 1768000 -69.8997 -36.724 -21.1747 -36.724 19.4105 52.8275 -21.1747 52.8275 3.46405 GPRESSAVG: 1768000 -68.5246 -36.8585 -19.9463 -37.2779 17.8977 52.272 -20.6967 53.6153 4.13719 TIMING: 1768000 CPU: 5590.41, 0.00313916/step Wall: 5590.41, 0.00313916/step, 2.81827 hours remaining, 235.304688 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: 1768000 3972.3415 20559.0829 14515.1344 264.9342 -203152.3798 2326.8756 0.0000 0.0000 52101.9991 -109412.0121 299.4309 -161514.0112 -109058.6669 299.1053 -123.6432 -99.3022 762547.3291 -15.6750 -15.4966 PRESSURE: 1768200 -434.365 -78.813 -187.659 -78.8126 -170.54 30.8043 -187.658 30.8032 -446.389 GPRESSURE: 1768200 -400.515 -185.045 -210.581 -0.786781 -190.757 29.3224 -143.14 23.4766 -350.67 PRESSAVG: 1768200 36.8638 -41.4247 14.9438 -41.4248 -14.8427 74.8721 14.9439 74.8721 7.23624 GPRESSAVG: 1768200 35.9316 -41.2968 14.1485 -39.6925 -13.9765 74.4841 14.6054 75.0615 7.19593 TIMING: 1768200 CPU: 5591.04, 0.00313145/step Wall: 5591.04, 0.00313145/step, 2.81117 hours remaining, 235.304688 MB of memory in use. ENERGY: 1768200 4049.7325 20561.2651 14425.9274 226.0033 -203489.0174 2625.8027 0.0000 0.0000 51974.8544 -109625.4320 298.7002 -161600.2864 -109270.9238 299.1448 -350.4311 -313.9807 762904.6537 9.7525 9.7170 LDB: ============= START OF LOAD BALANCING ============== 5603.57 LDB: ============== END OF LOAD BALANCING =============== 5603.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5603.57 LDB: ============= START OF LOAD BALANCING ============== 5603.89 LDB: Largest compute 7049 load 0.032100 is 16.4% of average load 0.195575 LDB: Average compute 0.004383 is 2.2% of average load 0.195575 LDB: TIME 5603.89 LOAD: AVG 0.195575 MAX 0.213126 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.594 MB LDB: TIME 5603.89 LOAD: AVG 0.195575 MAX 0.213126 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.598 MB LDB: TIME 5603.89 LOAD: AVG 0.195575 MAX 0.213126 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.598 MB LDB: ============== END OF LOAD BALANCING =============== 5603.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5603.9 PRESSURE: 1768400 332.551 119.776 151.714 119.775 -268.637 45.7543 151.714 45.755 261.924 GPRESSURE: 1768400 302.512 38.0022 177.821 20.5364 -142.329 69.1528 180.495 127.841 246.123 PRESSAVG: 1768400 57.864 13.7495 -12.3868 13.7494 -57.658 32.7645 -12.3868 32.7644 -8.62327 GPRESSAVG: 1768400 58.2146 12.5738 -11.1576 12.4849 -57.8523 33.29 -10.6617 34.0438 -9.08206 TIMING: 1768400 CPU: 5591.68, 0.00321402/step Wall: 5591.68, 0.00321402/step, 2.88512 hours remaining, 236.078125 MB of memory in use. ENERGY: 1768400 3999.3536 20640.9679 14447.5983 244.7224 -203798.9112 2852.7784 0.0000 0.0000 51946.5772 -109666.9134 298.5377 -161613.4905 -109299.8459 298.2782 108.6125 135.4352 760195.1745 -2.8057 -2.9066 PRESSURE: 1768600 62.7546 -294.043 107.927 -294.043 -118.037 179.977 107.927 179.979 61.2672 GPRESSURE: 1768600 98.4168 -106.405 150.819 -342.141 -40.6177 125.04 52.9356 274.463 28.4682 PRESSAVG: 1768600 -37.8993 -0.959779 11.8125 -0.959802 12.4101 52.9044 11.8126 52.9044 2.67433 GPRESSAVG: 1768600 -38.4162 2.21319 11.9268 -3.32502 13.3209 54.0327 9.14097 50.0553 2.14297 TIMING: 1768600 CPU: 5592.31, 0.00313666/step Wall: 5592.31, 0.00313666/step, 2.8155 hours remaining, 236.144531 MB of memory in use. ENERGY: 1768600 3965.5625 20776.0211 14490.0996 242.6246 -203888.6087 2705.6010 0.0000 0.0000 52020.0865 -109688.6135 298.9602 -161708.6999 -109338.0993 298.9052 1.9950 28.7558 761574.3420 -7.6050 -7.6508 PRESSURE: 1768800 229.37 94.2898 111.747 94.2885 501.262 47.4492 111.748 47.4502 -36.4359 GPRESSURE: 1768800 347.592 146.205 151.986 121.284 464.173 -62.4905 119.958 136.366 -24.1327 PRESSAVG: 1768800 17.5632 5.88754 -4.36775 5.88756 -0.0427529 7.14302 -4.36777 7.14289 4.06131 GPRESSAVG: 1768800 19.5871 4.31048 -5.5467 8.8027 -2.36252 5.62183 -5.42613 7.22587 4.4554 TIMING: 1768800 CPU: 5592.93, 0.0031263/step Wall: 5592.93, 0.0031263/step, 2.80603 hours remaining, 236.144531 MB of memory in use. ENERGY: 1768800 4009.5579 20487.8448 14401.1924 240.6855 -203550.8768 2794.9405 0.0000 0.0000 51754.4451 -109862.2106 297.4335 -161616.6558 -109508.5896 298.8270 231.3986 262.5440 759334.7623 7.1939 7.2267 PRESSURE: 1769000 -56.4272 9.39325 121.284 9.39365 9.71667 127.152 121.283 127.151 112.969 GPRESSURE: 1769000 -118.706 -22.4843 108.988 0.432058 129.168 138.039 117.293 240.325 145.394 PRESSAVG: 1769000 54.0692 -1.35818 -3.85327 -1.3582 -55.9511 18.4718 -3.85332 18.4719 11.6028 GPRESSAVG: 1769000 52.916 -1.51749 -3.33054 -0.623454 -54.6111 20.1622 -0.56785 19.9111 11.0326 TIMING: 1769000 CPU: 5593.56, 0.00313922/step Wall: 5593.56, 0.00313922/step, 2.81745 hours remaining, 236.144531 MB of memory in use. ENERGY: 1769000 4062.2551 20436.6985 14489.0140 242.2109 -203295.0141 2601.7106 0.0000 0.0000 51694.3300 -109768.7950 297.0880 -161463.1249 -109406.5704 298.7278 22.0862 51.9520 762371.4700 3.2403 3.1125 PRESSURE: 1769200 -204.893 29.4526 -168.501 29.4528 -203.887 -149.569 -168.502 -149.569 155.613 GPRESSURE: 1769200 -203.714 20.5189 -119.125 20.0971 -52.2099 -194.539 -113.467 -4.30225 96.0119 PRESSAVG: 1769200 21.6509 -7.99085 -7.9386 -7.9909 26.9433 12.9681 -7.93857 12.9681 7.51632 GPRESSAVG: 1769200 20.8113 -7.62772 -8.41395 -10.0988 26.6227 11.7353 -7.55724 11.9297 8.27415 TIMING: 1769200 CPU: 5594.19, 0.00312166/step Wall: 5594.19, 0.00312166/step, 2.80152 hours remaining, 236.144531 MB of memory in use. ENERGY: 1769200 4079.7175 20573.2624 14404.3771 247.4512 -203291.6173 2526.3414 0.0000 0.0000 51974.1865 -109486.2813 298.6964 -161460.4678 -109128.1309 298.3970 -84.3889 -53.3040 761374.7301 18.7035 18.5694 PRESSURE: 1769400 -7.40358 14.4778 421.825 14.4779 323.134 92.6417 421.824 92.6423 41.6659 GPRESSURE: 1769400 0.306436 82.6864 366.399 90.0401 337.511 62.8121 315.846 90.0439 130.499 PRESSAVG: 1769400 52.5373 -4.97042 47.1995 -4.97039 -18.7946 4.26985 47.1995 4.26995 -10.2468 GPRESSAVG: 1769400 52.8895 -6.05671 46.6306 -2.75329 -19.3915 4.54709 47.4264 3.33626 -9.64047 TIMING: 1769400 CPU: 5594.81, 0.00313572/step Wall: 5594.81, 0.00313572/step, 2.81396 hours remaining, 236.144531 MB of memory in use. ENERGY: 1769400 3934.6343 20514.2329 14518.8936 268.0519 -203765.2211 2846.9776 0.0000 0.0000 52248.3439 -109434.0869 300.2720 -161682.4308 -109068.2418 299.0666 119.1323 156.1055 760447.4939 7.8320 7.9525 PRESSURE: 1769600 23.6075 -122.748 15.8308 -122.748 -135.895 -72.7923 15.8317 -72.7928 261.597 GPRESSURE: 1769600 69.0906 -53.4485 20.5934 -177.438 -113.486 -35.6876 -40.4325 -37.9858 267.504 PRESSAVG: 1769600 -4.80043 -73.2258 -17.4319 -73.2258 7.47027 -2.85195 -17.4319 -2.85195 9.42797 GPRESSAVG: 1769600 -4.48051 -74.0133 -18.6267 -74.0665 7.75065 -3.2986 -17.0379 -1.9231 8.68834 TIMING: 1769600 CPU: 5595.44, 0.00315018/step Wall: 5595.44, 0.00315018/step, 2.82676 hours remaining, 236.144531 MB of memory in use. ENERGY: 1769600 3958.5566 20541.8573 14511.0477 237.4140 -203432.3537 2755.1833 0.0000 0.0000 52097.0745 -109331.2203 299.4026 -161428.2948 -108973.7388 298.6705 49.7698 74.3697 761427.3728 4.0326 3.9862 PRESSURE: 1769800 -209.117 108.965 186.458 108.966 -75.7389 -17.6558 186.458 -17.6554 -106.611 GPRESSURE: 1769800 -157.27 117.952 183.219 34.3496 -126.857 -26.468 112.582 -60.1336 -44.8356 PRESSAVG: 1769800 61.405 -51.7399 -26.0968 -51.7399 -50.7858 -49.2285 -26.0968 -49.2285 -30.4067 GPRESSAVG: 1769800 61.2813 -50.9034 -26.4111 -51.3311 -50.0332 -49.6417 -27.4796 -48.3283 -30.7377 TIMING: 1769800 CPU: 5596.07, 0.00312104/step Wall: 5596.07, 0.00312104/step, 2.80044 hours remaining, 236.144531 MB of memory in use. ENERGY: 1769800 4016.1540 20630.5475 14537.7069 266.9590 -202834.1198 2477.2932 0.0000 0.0000 51584.1457 -109321.3133 296.4548 -160905.4591 -108966.3172 298.7298 -130.4890 -109.6540 763382.7038 -6.5958 -6.4965 PRESSURE: 1770000 -56.3048 -39.2683 -56.2073 -39.268 -188.682 120.407 -56.2076 120.409 -377.728 GPRESSURE: 1770000 -23.108 -21.3609 -89.0369 -53.9095 -194.059 218.577 -88.6792 -51.7415 -328.283 PRESSAVG: 1770000 -10.4755 -10.4597 -14.2425 -10.4598 17.3232 -32.6553 -14.2425 -32.6554 -2.00705 GPRESSAVG: 1770000 -9.90702 -8.98126 -12.3698 -10.4163 18.2084 -32.7522 -14.6331 -32.6631 -2.57626 TIMING: 1770000 CPU: 5596.69, 0.00311357/step Wall: 5596.69, 0.00311357/step, 2.79357 hours remaining, 236.144531 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: 1770000 4003.0333 20604.4648 14556.2603 230.7911 -203209.2163 2541.7305 0.0000 0.0000 52086.5836 -109186.3526 299.3423 -161272.9362 -108821.9154 299.1760 -207.5717 -181.8167 763187.1058 1.6135 1.9084 PRESSURE: 1770200 -103.689 -36.9271 -116.747 -36.9269 21.2436 -40.249 -116.747 -40.2482 27.1836 GPRESSURE: 1770200 -92.3792 -116.335 -110.32 -79.9525 107.225 -83.2341 -82.9362 -82.0451 12.7878 PRESSAVG: 1770200 -36.9733 -38.1968 -91.0418 -38.1968 -16.5114 -31.4683 -91.0419 -31.4684 -14.9397 GPRESSAVG: 1770200 -36.1484 -38.6376 -90.2087 -38.1049 -18.7214 -30.8066 -90.1149 -31.741 -13.3011 TIMING: 1770200 CPU: 5597.32, 0.00316189/step Wall: 5597.32, 0.00316189/step, 2.83674 hours remaining, 236.144531 MB of memory in use. ENERGY: 1770200 3976.1300 20430.2082 14528.4209 245.5809 -202877.3191 2490.4267 0.0000 0.0000 51950.5251 -109256.0273 298.5604 -161206.5523 -108894.2010 299.2420 -18.4204 9.2113 763017.5009 -22.8082 -22.7236 PRESSURE: 1770400 19.7786 156.461 131.493 156.461 -56.2582 40.001 131.493 40.0013 -87.874 GPRESSURE: 1770400 59.5554 68.4064 185.589 -22.4022 -91.6346 57.1407 148.618 -26.5181 -4.12251 PRESSAVG: 1770400 5.11161 -64.7756 -53.7851 -64.7756 1.0842 13.2898 -53.7851 13.2898 39.2379 GPRESSAVG: 1770400 4.25451 -65.9063 -54.2277 -65.7132 2.00444 12.0551 -56.7253 13.6187 39.3359 TIMING: 1770400 CPU: 5597.95, 0.00312993/step Wall: 5597.95, 0.00312993/step, 2.8079 hours remaining, 236.144531 MB of memory in use. ENERGY: 1770400 4011.1276 20541.1118 14530.8167 245.3225 -203193.0160 2545.1663 0.0000 0.0000 52035.6821 -109283.7891 299.0498 -161319.4712 -108923.6539 299.2422 -41.4512 -12.0672 761804.8528 15.1446 15.1983 PRESSURE: 1770600 -158.24 -293.64 0.923915 -293.639 -230.644 -286.956 0.923532 -286.957 -368.121 GPRESSURE: 1770600 -106.633 -143.123 -33.3281 -164.303 -130.03 -250.695 -65.3368 -168.932 -430.048 PRESSAVG: 1770600 -13.2611 -30.4089 2.53799 -30.4089 25.1465 -9.30452 2.53798 -9.30457 -6.74451 GPRESSAVG: 1770600 -12.7738 -29.3913 2.69853 -30.2598 24.7188 -9.47611 5.06661 -9.57572 -6.75793 TIMING: 1770600 CPU: 5598.57, 0.00311649/step Wall: 5598.57, 0.00311649/step, 2.79566 hours remaining, 236.144531 MB of memory in use. ENERGY: 1770600 3964.8818 20496.1057 14398.7829 262.3171 -203190.8205 2729.4843 0.0000 0.0000 52115.8193 -109223.4295 299.5103 -161339.2488 -108861.3005 299.0109 -252.3347 -222.2367 763874.8192 1.7136 1.7290 PRESSURE: 1770800 -214.739 40.5581 -115.326 40.5578 -246.322 108.956 -115.327 108.956 80.4312 GPRESSURE: 1770800 -139.84 -6.41458 -120.623 187.967 -211.588 83.0009 -112.251 92.1949 45.2326 PRESSAVG: 1770800 27.8982 -34.2371 -2.79452 -34.2372 -35.6204 25.3314 -2.79452 25.3315 -14.2282 GPRESSAVG: 1770800 26.6735 -35.4375 -3.23565 -33.4519 -34.7311 23.4998 -1.62676 27.1273 -14.3569 TIMING: 1770800 CPU: 5599.2, 0.00313597/step Wall: 5599.2, 0.00313597/step, 2.81296 hours remaining, 236.144531 MB of memory in use. ENERGY: 1770800 4024.7196 20648.1744 14417.1128 234.3394 -203122.5417 2561.6187 0.0000 0.0000 52112.9645 -109123.6124 299.4939 -161236.5769 -108774.1851 298.9332 -126.8766 -102.0652 763365.3835 -7.3168 -7.4715 PRESSURE: 1771000 -274.409 -241.745 -19.3517 -241.745 -338.609 218.075 -19.3516 218.074 -68.3849 GPRESSURE: 1771000 -266.283 -230.928 -29.2948 -179.124 -281.709 215.285 90.396 110.078 -56.9174 PRESSAVG: 1771000 50.8629 -37.5915 3.57021 -37.5914 -7.62528 29.3001 3.57018 29.3001 44.0668 GPRESSAVG: 1771000 51.9185 -36.1526 2.77863 -37.5652 -8.4098 30.8482 4.20569 29.3359 43.4403 TIMING: 1771000 CPU: 5599.82, 0.00313095/step Wall: 5599.82, 0.00313095/step, 2.80828 hours remaining, 236.144531 MB of memory in use. ENERGY: 1771000 4058.8437 20575.6176 14518.0924 250.2139 -203071.2618 2623.5414 0.0000 0.0000 51984.7008 -109060.2521 298.7568 -161044.9529 -108702.6949 299.2899 -227.1346 -201.6364 764223.0761 29.1015 28.9830 PRESSURE: 1771200 161.23 66.0886 6.32438 66.0887 189.684 15.7427 6.32417 15.7423 -370.734 GPRESSURE: 1771200 146.576 -52.2842 -57.1782 102.121 213.531 7.16507 43.9043 42.4231 -302.668 PRESSAVG: 1771200 16.4392 -43.266 -17.3645 -43.266 3.42267 10.402 -17.3645 10.4019 12.593 GPRESSAVG: 1771200 15.9984 -42.0199 -17.1135 -43.7271 3.88228 12.1797 -18.2789 7.54703 12.7787 TIMING: 1771200 CPU: 5600.45, 0.00313189/step Wall: 5600.45, 0.00313189/step, 2.80895 hours remaining, 236.144531 MB of memory in use. ENERGY: 1771200 4034.2731 20608.4456 14571.7837 248.0023 -203315.8016 2704.1335 0.0000 0.0000 52110.3035 -109038.8599 299.4786 -161149.1634 -108682.1589 299.7894 -6.6064 19.1464 763842.1426 10.8183 10.8865 PRESSURE: 1771400 233.091 -313.324 -238.871 -313.323 -196.08 76.3407 -238.871 76.3393 -38.2461 GPRESSURE: 1771400 252.435 -238.043 -272.549 -366.398 -155.563 186.568 -94.3071 49.2179 14.2158 PRESSAVG: 1771400 -35.3914 -52.7747 -14.3378 -52.7747 -13.5588 29.959 -14.3378 29.959 -16.7429 GPRESSAVG: 1771400 -35.737 -53.7905 -13.4138 -53.9174 -13.5244 29.9314 -15.9015 30.379 -16.526 TIMING: 1771400 CPU: 5601.08, 0.00314619/step Wall: 5601.08, 0.00314619/step, 2.82161 hours remaining, 236.144531 MB of memory in use. ENERGY: 1771400 3938.7818 20531.8854 14516.8109 244.6323 -202911.3556 2459.9935 0.0000 0.0000 52009.8008 -109209.4509 298.9010 -161219.2517 -108854.9313 299.0937 -0.4116 37.0293 762315.1712 -21.8977 -21.9291 PRESSURE: 1771600 103.139 -62.9085 275.071 -62.9087 -242.918 181.506 275.071 181.505 265.301 GPRESSURE: 1771600 105.64 -84.4339 283.274 -16.8267 -198.273 176.735 205.131 117.305 323.86 PRESSAVG: 1771600 0.723955 -69.5189 -68.7488 -69.5189 5.56255 -43.7078 -68.7487 -43.7077 6.67978 GPRESSAVG: 1771600 1.1424 -69.9163 -67.7538 -67.9053 5.80375 -43.6983 -67.1166 -42.2543 6.0522 TIMING: 1771600 CPU: 5601.71, 0.00313135/step Wall: 5601.71, 0.00313135/step, 2.80812 hours remaining, 236.144531 MB of memory in use. ENERGY: 1771600 3998.8142 20514.5461 14469.8302 244.5481 -202983.3733 2390.9395 0.0000 0.0000 52242.0709 -109122.6244 300.2359 -161364.6953 -108763.5874 299.0892 41.8409 77.0758 761964.2848 4.3221 4.3328 PRESSURE: 1771800 36.4704 -92.8663 19.5595 -92.8662 -111.273 110.093 19.5591 110.092 87.7787 GPRESSURE: 1771800 139.532 -1.62377 18.8907 -38.1185 -137.384 95.0998 -12.4395 39.7116 109.47 PRESSAVG: 1771800 6.63112 -42.2899 -26.2505 -42.29 -40.345 -50.3239 -26.2504 -50.3239 -5.41208 GPRESSAVG: 1771800 7.06219 -42.1235 -27.2638 -41.4168 -40.8753 -50.9768 -26.2902 -51.0529 -5.53653 TIMING: 1771800 CPU: 5602.33, 0.00313937/step Wall: 5602.33, 0.00313937/step, 2.81515 hours remaining, 236.144531 MB of memory in use. ENERGY: 1771800 3968.2501 20431.7857 14519.8445 273.1157 -203341.1945 2812.9261 0.0000 0.0000 52362.6755 -108972.5969 300.9290 -161335.2724 -108615.5781 299.2209 4.3253 37.2060 763090.8790 -13.0420 -13.1166 PRESSURE: 1772000 207.571 -152.683 43.1333 -152.684 106.783 189.895 43.1348 189.894 33.7464 GPRESSURE: 1772000 109.634 -149.301 45.0146 -100.185 212.48 222.433 -57.3543 93.4235 104.145 PRESSAVG: 1772000 20.8963 -43.3924 -49.4365 -43.3924 -39.2005 8.10764 -49.4366 8.10765 14.7589 GPRESSAVG: 1772000 20.9522 -43.7315 -50.3008 -44.41 -37.69 8.3157 -49.0315 7.92473 14.1618 TIMING: 1772000 CPU: 5602.96, 0.00314186/step Wall: 5602.96, 0.00314186/step, 2.8172 hours remaining, 236.144531 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: 1772000 3928.7933 20717.2429 14510.2422 251.2433 -203095.1613 2683.3507 0.0000 0.0000 52061.6569 -108942.6319 299.1991 -161004.2889 -108578.7038 299.3289 116.0336 142.0866 763868.1911 -1.1818 -0.8587 PRESSURE: 1772200 -0.659006 -89.4164 21.0913 -89.4167 -40.7938 -36.8275 21.0925 -36.8266 278.92 GPRESSURE: 1772200 83.9486 -185.073 8.31919 -115.533 18.5537 -48.6605 49.2843 -53.0511 236.449 PRESSAVG: 1772200 43.0316 -36.9304 -13.8589 -36.9304 -15.5581 4.14993 -13.8589 4.14986 32.3507 GPRESSAVG: 1772200 43.9447 -38.0066 -12.7357 -37.4088 -16.3811 2.8395 -13.5485 4.20932 32.3983 TIMING: 1772200 CPU: 5603.59, 0.00314558/step Wall: 5603.59, 0.00314557/step, 2.82036 hours remaining, 236.144531 MB of memory in use. ENERGY: 1772200 3962.4925 20518.3550 14463.1068 227.6020 -203192.7288 2762.3989 0.0000 0.0000 52214.4289 -109044.3447 300.0770 -161258.7736 -108679.8111 299.5706 79.1556 112.9839 762900.9148 19.9414 19.9873 LDB: ============= START OF LOAD BALANCING ============== 5616.12 LDB: ============== END OF LOAD BALANCING =============== 5616.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5616.13 LDB: ============= START OF LOAD BALANCING ============== 5616.44 LDB: Largest compute 7031 load 0.029667 is 15.2% of average load 0.195497 LDB: Average compute 0.004380 is 2.2% of average load 0.195497 LDB: TIME 5616.44 LOAD: AVG 0.195497 MAX 0.218263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.805 MB LDB: TIME 5616.44 LOAD: AVG 0.195497 MAX 0.218263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: TIME 5616.44 LOAD: AVG 0.195497 MAX 0.218165 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: ============== END OF LOAD BALANCING =============== 5616.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5616.45 PRESSURE: 1772400 -102.264 14.6967 10.3936 14.6962 172.654 -195.993 10.3928 -195.991 143.546 GPRESSURE: 1772400 -18.3092 37.4352 6.44371 148.379 117.844 -206.529 -130.368 -35.654 185.034 PRESSAVG: 1772400 -18.2092 -36.457 -58.2171 -36.4571 27.012 9.40938 -58.217 9.40933 -0.237098 GPRESSAVG: 1772400 -20.2907 -35.0454 -58.3139 -36.1796 28.2654 9.71912 -60.5965 11.5778 0.809077 TIMING: 1772400 CPU: 5604.23, 0.00320363/step Wall: 5604.23, 0.00320363/step, 2.87223 hours remaining, 234.371094 MB of memory in use. ENERGY: 1772400 3973.9082 20651.9447 14460.6165 238.8122 -203052.1895 2551.4580 0.0000 0.0000 52271.1015 -108904.3484 300.4027 -161175.4499 -108544.4509 299.4558 71.3120 94.8562 762768.4070 2.8552 2.9279 PRESSURE: 1772600 -54.2781 -181.598 -185.718 -181.598 144.489 -19.4749 -185.718 -19.4739 -326.303 GPRESSURE: 1772600 -46.1015 -185.472 -115.223 -169.519 107.179 68.0056 -158.378 -12.0275 -213.968 PRESSAVG: 1772600 20.1942 -23.5217 -28.0901 -23.5216 -30.4961 23.1118 -28.0902 23.1118 9.21756 GPRESSAVG: 1772600 20.9439 -23.2891 -28.6725 -22.7191 -31.8536 22.7981 -26.6335 22.472 9.8907 TIMING: 1772600 CPU: 5604.86, 0.00312679/step Wall: 5604.86, 0.00312679/step, 2.80316 hours remaining, 234.371094 MB of memory in use. ENERGY: 1772600 4016.1352 20613.9916 14530.8238 235.9362 -202939.0452 2534.7370 0.0000 0.0000 52147.5050 -108859.9163 299.6924 -161007.4213 -108491.2635 299.9523 -78.6975 -50.9637 763868.0161 -0.3615 -0.3397 PRESSURE: 1772800 77.1946 -24.6121 28.0235 -24.6124 238.5 178.768 28.0237 178.768 4.62855 GPRESSURE: 1772800 184.239 -84.7113 -9.63207 63.3973 300.08 197.269 -29.9066 136.091 -48.3813 PRESSAVG: 1772800 -43.7595 -71.6225 -32.2411 -71.6225 40.6247 19.1939 -32.2412 19.1939 -25.8114 GPRESSAVG: 1772800 -43.2694 -72.3672 -31.0975 -74.0617 40.7732 19.6041 -30.2651 19.4577 -25.9806 TIMING: 1772800 CPU: 5605.48, 0.00311285/step Wall: 5605.48, 0.00311285/step, 2.7905 hours remaining, 234.371094 MB of memory in use. ENERGY: 1772800 4032.4509 20513.0775 14514.4060 245.5252 -203261.8734 2818.6234 0.0000 0.0000 52293.1045 -108844.6858 300.5292 -161137.7903 -108484.0877 299.6299 106.7743 145.3127 763740.8244 -9.6487 -9.4923 PRESSURE: 1773000 214.344 -312.042 -58.5876 -312.041 -73.3166 35.2788 -58.588 35.2784 672.128 GPRESSURE: 1773000 229.583 -191.915 -114.487 -189.648 8.10941 102.351 37.5853 46.1858 653.9 PRESSAVG: 1773000 40.9168 19.5827 -58.3356 19.5826 -26.3325 21.5648 -58.3356 21.5648 -5.56911 GPRESSAVG: 1773000 39.7925 20.1887 -59.045 19.2636 -25.6099 23.2056 -60.4887 21.0709 -5.85012 TIMING: 1773000 CPU: 5606.1, 0.00311385/step Wall: 5606.1, 0.00311385/step, 2.79122 hours remaining, 234.371094 MB of memory in use. ENERGY: 1773000 3911.7952 20574.6966 14462.9384 241.8849 -203385.4367 2937.3120 0.0000 0.0000 52340.7724 -108916.0372 300.8031 -161256.8096 -108556.5347 299.9390 271.0516 297.1975 762382.8932 3.0050 2.7775 PRESSURE: 1773200 -186.001 -163.751 312.272 -163.751 -37.0886 251.873 312.271 251.873 -20.5326 GPRESSURE: 1773200 -153.993 -172.056 297.608 -157.503 -1.22798 295.029 307.223 30.8851 9.97123 PRESSAVG: 1773200 -13.465 11.3199 51.6482 11.3198 -12.0689 40.9037 51.6482 40.9037 4.58713 GPRESSAVG: 1773200 -12.8572 10.2797 51.0379 12.5285 -12.9357 39.3061 52.5293 42.1011 4.86822 TIMING: 1773200 CPU: 5606.73, 0.00311824/step Wall: 5606.73, 0.00311824/step, 2.79498 hours remaining, 234.371094 MB of memory in use. ENERGY: 1773200 3919.9773 20576.7893 14551.3816 258.5360 -203188.8398 2661.6573 0.0000 0.0000 52106.4240 -109114.0744 299.4563 -161220.4984 -108751.2247 300.1428 -81.2073 -48.4166 761666.7915 -6.9823 -6.9749 PRESSURE: 1773400 10.5034 -228.056 39.2585 -228.056 -41.2371 -224.443 39.2577 -224.441 7.94774 GPRESSURE: 1773400 91.5297 -388.919 84.1625 -213.685 -109.418 -279.104 -29.44 -183.186 91.889 PRESSAVG: 1773400 -24.6894 -53.3634 58.9343 -53.3635 33.2381 -15.3836 58.9344 -15.3836 -6.54653 GPRESSAVG: 1773400 -25.4907 -55.4878 59.2464 -51.1674 33.2911 -14.8259 59.8405 -17.495 -5.75403 TIMING: 1773400 CPU: 5607.35, 0.00312978/step Wall: 5607.35, 0.00312978/step, 2.80515 hours remaining, 234.371094 MB of memory in use. ENERGY: 1773400 3982.1653 20503.8277 14529.8353 251.8353 -203172.3086 2710.1410 0.0000 0.0000 52202.4909 -108992.0131 300.0084 -161194.5039 -108621.7324 299.6665 -7.5953 24.6670 762665.8688 0.6674 0.6821 PRESSURE: 1773600 -46.3321 -64.8928 54.5029 -64.8925 85.2679 128.582 54.5036 128.581 -6.87979 GPRESSURE: 1773600 -51.6539 -21.2148 80.4075 -60.5743 135.426 165.976 -23.5794 93.7859 31.1103 PRESSAVG: 1773600 0.831545 -11.7642 35.4046 -11.7642 15.2992 -16.8244 35.4047 -16.8243 0.0829455 GPRESSAVG: 1773600 2.20614 -9.87746 36.0221 -12.2275 15.8587 -18.4705 31.6052 -15.0072 -1.55684 TIMING: 1773600 CPU: 5607.98, 0.00312334/step Wall: 5607.98, 0.00312334/step, 2.7992 hours remaining, 234.371094 MB of memory in use. ENERGY: 1773600 3924.2783 20558.4177 14498.0253 251.9782 -203369.0416 2923.9559 0.0000 0.0000 52186.1880 -109026.1981 299.9147 -161212.3861 -108661.1510 299.1618 10.6853 38.2940 761581.3441 5.4046 5.5027 PRESSURE: 1773800 -339.559 50.9912 16.5288 50.9922 12.13 -194.008 16.5292 -194.008 -184.09 GPRESSURE: 1773800 -250.777 125.424 120.512 -119.959 -3.55191 -182.091 76.6726 -57.5305 -160.736 PRESSAVG: 1773800 -25.8769 -38.8811 -19.5803 -38.8811 61.6367 -4.16661 -19.5802 -4.16649 15.1901 GPRESSAVG: 1773800 -24.7153 -36.765 -18.575 -41.345 60.2481 -1.5718 -17.1705 -6.3782 14.996 TIMING: 1773800 CPU: 5608.6, 0.00312312/step Wall: 5608.6, 0.00312312/step, 2.79884 hours remaining, 234.371094 MB of memory in use. ENERGY: 1773800 3976.1484 20291.9437 14521.7259 231.4527 -203001.9860 2526.2265 0.0000 0.0000 52502.1386 -108952.3503 301.7305 -161454.4889 -108591.5601 299.9793 -170.5062 -138.3550 761965.1857 16.9833 16.8429 PRESSURE: 1774000 -272.846 -281.79 44.9995 -281.79 136.263 -216.845 44.9997 -216.844 -246.4 GPRESSURE: 1774000 -252.858 -136.537 35.1893 -313.877 193.972 -266.42 75.5318 -210.396 -243.478 PRESSAVG: 1774000 -47.4702 -21.5091 -22.1313 -21.5091 28.057 -36.159 -22.1313 -36.1591 -5.08545 GPRESSAVG: 1774000 -50.6861 -24.9626 -23.3666 -22.6618 28.3796 -37.2388 -22.7199 -33.5362 -2.8148 TIMING: 1774000 CPU: 5609.23, 0.00314705/step Wall: 5609.23, 0.00314705/step, 2.82011 hours remaining, 234.371094 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: 1774000 3982.8619 20544.2354 14459.5388 227.3171 -202748.3995 2366.0974 0.0000 0.0000 51903.1628 -109265.1861 298.2882 -161168.3489 -108907.8622 299.2659 -127.6609 -100.7880 762064.7257 -8.1662 -8.3738 PRESSURE: 1774200 154.357 -239.045 -162.383 -239.045 73.2344 364.716 -162.382 364.716 75.0077 GPRESSURE: 1774200 245.438 -222.921 -165.54 -171.18 33.5972 291.79 -75.0422 326.007 80.4827 PRESSAVG: 1774200 20.1675 -88.3987 -44.6024 -88.3987 23.8234 49.8681 -44.6024 49.868 7.99359 GPRESSAVG: 1774200 21.0092 -86.01 -45.9095 -87.2807 23.9657 49.4705 -43.0576 50.0836 7.30495 TIMING: 1774200 CPU: 5609.86, 0.00313876/step Wall: 5609.86, 0.00313876/step, 2.8125 hours remaining, 234.371094 MB of memory in use. ENERGY: 1774200 3945.5871 20518.1145 14559.9275 242.0528 -203308.4777 2568.0105 0.0000 0.0000 52132.7731 -109342.0122 299.6078 -161474.7853 -108975.7474 298.8461 100.8665 119.8394 762347.4465 17.3281 17.4266 PRESSURE: 1774400 -88.8624 -246.784 96.2733 -246.784 -524.268 -261.89 96.274 -261.891 -270.317 GPRESSURE: 1774400 -39.765 -291.27 66.8808 -239.145 -481.561 -275.247 143.35 -168.845 -266.157 PRESSAVG: 1774400 -20.138 -76.1222 38.5953 -76.1222 73.8721 -46.8657 38.5953 -46.8658 23.6053 GPRESSAVG: 1774400 -20.6707 -78.3208 39.727 -75.8211 74.6599 -46.0928 37.4843 -47.0842 23.239 TIMING: 1774400 CPU: 5610.49, 0.00313852/step Wall: 5610.49, 0.00313852/step, 2.81211 hours remaining, 234.371094 MB of memory in use. ENERGY: 1774400 4050.5128 20499.0920 14561.7288 259.4046 -203074.9440 2493.4572 0.0000 0.0000 51980.0550 -109230.6937 298.7301 -161210.7486 -108873.7630 299.0334 -294.4825 -262.4945 762745.2552 25.7798 25.7428 PRESSURE: 1774600 102.659 -41.2034 84.202 -41.2035 -288.273 49.0448 84.202 49.0448 -298.889 GPRESSURE: 1774600 116.916 -111.936 30.4067 34.9787 -211.018 152.506 30.7616 -34.7383 -268.874 PRESSAVG: 1774600 -25.8912 -89.7944 40.5501 -89.7943 66.1626 -45.0896 40.5502 -45.0895 3.64548 GPRESSAVG: 1774600 -27.0892 -88.4022 39.9554 -90.0556 66.0866 -45.6748 39.3592 -43.9211 4.9322 TIMING: 1774600 CPU: 5611.12, 0.0031549/step Wall: 5611.12, 0.0031549/step, 2.82661 hours remaining, 234.371094 MB of memory in use. ENERGY: 1774600 3958.4234 20552.1405 14479.5868 251.5141 -203149.5279 2850.2102 0.0000 0.0000 51762.4083 -109295.2447 297.4793 -161057.6529 -108935.5069 299.1739 -161.5008 -120.9917 762330.8125 14.6390 14.6432 PRESSURE: 1774800 -115.289 -21.9509 -175.98 -21.951 163.517 -267.08 -175.98 -267.081 -131.225 GPRESSURE: 1774800 -58.5258 49.1683 -141.646 29.8693 146.027 -227.79 -38.8717 -194.654 -85.689 PRESSAVG: 1774800 3.35166 -28.4554 22.6989 -28.4554 16.1243 -80.0826 22.6989 -80.0827 -15.417 GPRESSAVG: 1774800 5.76177 -28.0776 22.7594 -28.062 15.537 -81.1017 23.8785 -80.0774 -17.2039 TIMING: 1774800 CPU: 5611.75, 0.00313489/step Wall: 5611.75, 0.00313489/step, 2.80852 hours remaining, 234.371094 MB of memory in use. ENERGY: 1774800 4015.1684 20456.7528 14478.4682 266.5145 -203191.2201 2528.1401 0.0000 0.0000 52180.0240 -109266.1521 299.8793 -161446.1761 -108901.8700 298.9667 -27.6658 0.6039 761161.5032 1.3530 1.3650 PRESSURE: 1775000 24.4946 -209.595 67.6347 -209.595 -445.247 -244.861 67.6343 -244.862 -1.83485 GPRESSURE: 1775000 -37.1291 -243.788 20.2454 -158.775 -259.405 -164.529 4.24107 -224.979 -37.9739 PRESSAVG: 1775000 3.2723 -98.1163 -33.4299 -98.1163 -9.35742 16.0268 -33.4299 16.0268 10.8071 GPRESSAVG: 1775000 2.56949 -97.1027 -31.365 -97.7479 -8.7465 16.3627 -34.735 16.6647 10.2258 TIMING: 1775000 CPU: 5612.37, 0.00314635/step Wall: 5612.37, 0.00314635/step, 2.81861 hours remaining, 234.371094 MB of memory in use. ENERGY: 1775000 3985.3514 20566.8072 14551.6849 248.3880 -203546.3179 2821.8271 0.0000 0.0000 52106.4996 -109265.7596 299.4568 -161372.2592 -108893.3222 299.0590 -140.8624 -111.5026 762742.4403 1.5740 1.3496 PRESSURE: 1775200 181.298 -30.1969 73.0542 -30.1972 2.51095 63.247 73.0541 63.246 23.488 GPRESSURE: 1775200 150.901 -67.4019 39.7221 -42.2836 41.299 28.6101 92.709 28.547 101.38 PRESSAVG: 1775200 -15.1828 -16.006 1.97773 -16.006 20.9151 7.62065 1.97775 7.62057 24.8594 GPRESSAVG: 1775200 -15.2539 -18.0063 -0.875541 -17.0678 20.4824 8.41748 1.77511 6.25103 25.6611 TIMING: 1775200 CPU: 5613, 0.00312134/step Wall: 5613, 0.00312134/step, 2.79603 hours remaining, 234.371094 MB of memory in use. ENERGY: 1775200 4032.7836 20636.6687 14470.7584 259.1190 -203384.8148 2958.2579 0.0000 0.0000 51817.5103 -109209.7169 297.7959 -161027.2272 -108843.1961 298.7549 69.0990 97.8600 764539.0259 10.1972 10.2965 PRESSURE: 1775400 155.779 -33.979 89.2176 -33.9792 303.731 35.0693 89.2177 35.0697 -180.804 GPRESSURE: 1775400 193.198 9.38926 65.7051 -165.222 336.575 -58.3 71.3712 153.768 -145.211 PRESSAVG: 1775400 11.2227 5.84763 -31.0223 5.84764 -5.03768 -22.7724 -31.0223 -22.7725 -18.2281 GPRESSAVG: 1775400 11.8728 6.94611 -28.507 6.54043 -5.9969 -23.1294 -28.7248 -22.0613 -17.7545 TIMING: 1775400 CPU: 5613.63, 0.00313676/step Wall: 5613.63, 0.00313676/step, 2.80966 hours remaining, 234.371094 MB of memory in use. ENERGY: 1775400 3863.7778 20515.8447 14472.7415 218.4283 -203867.6726 3195.5877 0.0000 0.0000 52165.9355 -109435.3571 299.7983 -161601.2926 -109070.1750 298.7280 92.9018 128.1873 762563.1250 -4.0144 -3.9595 PRESSURE: 1775600 -21.793 80.4556 42.9204 80.456 110.306 -351.709 42.9205 -351.709 -22.0095 GPRESSURE: 1775600 0.326208 160.351 -74.531 73.6129 134.403 -412.531 -30.6579 -361.068 18.1335 PRESSAVG: 1775600 67.5971 -61.8155 57.0822 -61.8155 -50.1157 -68.0677 57.0822 -68.0678 -0.0894759 GPRESSAVG: 1775600 66.3621 -60.9824 57.0811 -62.7611 -48.8561 -67.8179 53.5019 -67.1217 0.0296412 TIMING: 1775600 CPU: 5614.26, 0.0031452/step Wall: 5614.26, 0.0031452/step, 2.81705 hours remaining, 234.371094 MB of memory in use. ENERGY: 1775600 4049.2278 20550.5258 14522.6505 255.8060 -203478.3892 2835.0585 0.0000 0.0000 51775.0521 -109490.0686 297.5519 -161265.1207 -109127.8822 298.7061 22.1680 50.9541 763254.2304 5.7973 5.8452 PRESSURE: 1775800 27.8739 -162.66 -4.06886 -162.66 148.242 47.1966 -4.06825 47.1967 35.2372 GPRESSURE: 1775800 0.819642 -236.695 -21.8607 -139.285 202.187 38.9062 62.9035 9.24171 86.8287 PRESSAVG: 1775800 17.8679 -22.2472 56.1502 -22.2472 -34.8109 -57.5429 56.1502 -57.5429 2.19449 GPRESSAVG: 1775800 17.5274 -22.5866 55.2459 -23.3691 -35.355 -57.5337 59.0326 -58.8251 2.17902 TIMING: 1775800 CPU: 5614.89, 0.00315666/step Wall: 5614.89, 0.00315666/step, 2.82714 hours remaining, 234.371094 MB of memory in use. ENERGY: 1775800 4007.8925 20347.1362 14552.2942 234.0847 -203303.6310 2669.8631 0.0000 0.0000 51923.1689 -109569.1913 298.4032 -161492.3602 -109203.1694 297.9989 70.4512 96.6119 762782.7263 -4.9162 -5.2162 PRESSURE: 1776000 -38.2302 -66.3772 125.462 -66.3774 -185.442 72.7825 125.462 72.7824 105.26 GPRESSURE: 1776000 -9.08031 -111.071 83.8345 -92.4263 -142.887 56.6851 146.989 74.0561 120.358 PRESSAVG: 1776000 -4.29426 -81.3326 -16.964 -81.3327 9.91158 18.051 -16.964 18.051 -8.52039 GPRESSAVG: 1776000 -3.23284 -80.3317 -16.3198 -80.3685 9.14822 18.4131 -19.8009 16.1594 -8.61527 TIMING: 1776000 CPU: 5615.52, 0.00314486/step Wall: 5615.52, 0.00314486/step, 2.81639 hours remaining, 234.371094 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: 1776000 3908.6317 20405.8864 14596.1122 256.0309 -203023.2138 2632.4090 0.0000 0.0000 51867.3689 -109356.7748 298.0825 -161224.1437 -108993.7699 298.3341 -39.4709 -10.5366 763898.6182 -0.9677 -0.9000 PRESSURE: 1776200 -77.0592 -59.1857 -132.526 -59.1866 14.5726 -14.1903 -132.526 -14.1907 25.5916 GPRESSURE: 1776200 -71.1587 -68.7474 -192.168 -63.9028 37.5423 -34.5002 125.825 -151.279 93.7398 PRESSAVG: 1776200 -40.8598 -52.5809 -35.694 -52.5809 26.4467 -7.51932 -35.694 -7.51941 -11.4679 GPRESSAVG: 1776200 -40.4812 -55.0201 -36.7946 -51.0015 24.9916 -7.51698 -31.7621 -6.98321 -10.1902 TIMING: 1776200 CPU: 5616.14, 0.00314808/step Wall: 5616.14, 0.00314808/step, 2.8191 hours remaining, 234.371094 MB of memory in use. ENERGY: 1776200 3909.8586 20482.3742 14557.6579 252.2331 -203180.0714 2647.6997 0.0000 0.0000 52068.5376 -109261.7103 299.2386 -161330.2478 -108902.4701 298.6569 -12.2984 20.0411 761771.0499 -8.6270 -8.5599 LDB: ============= START OF LOAD BALANCING ============== 5628.67 LDB: ============== END OF LOAD BALANCING =============== 5628.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5628.68 LDB: ============= START OF LOAD BALANCING ============== 5628.99 LDB: Largest compute 7049 load 0.029782 is 15.2% of average load 0.195480 LDB: Average compute 0.004347 is 2.2% of average load 0.195480 LDB: TIME 5628.99 LOAD: AVG 0.19548 MAX 0.213838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 5629 LOAD: AVG 0.19548 MAX 0.213838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.883 MB LDB: TIME 5629 LOAD: AVG 0.19548 MAX 0.213838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.883 MB LDB: ============== END OF LOAD BALANCING =============== 5629 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5629 PRESSURE: 1776400 -55.0009 -81.6441 -51.1296 -81.6434 145.98 -29.6038 -51.1306 -29.6033 225.081 GPRESSURE: 1776400 -19.8887 -89.1502 15.8503 -118.303 190.887 75.64 -30.0033 -99.6341 219.306 PRESSAVG: 1776400 -4.15852 -50.3714 30.6516 -50.3714 -14.2203 -62.1395 30.6517 -62.1395 -2.389 GPRESSAVG: 1776400 -4.35501 -48.8622 32.8194 -52.1763 -12.9576 -62.8945 29.8426 -60.6416 -3.37763 TIMING: 1776400 CPU: 5616.79, 0.00320109/step Wall: 5616.79, 0.00320109/step, 2.8664 hours remaining, 235.710938 MB of memory in use. ENERGY: 1776400 3901.5599 20622.5158 14601.1217 254.1427 -202989.3504 2504.4473 0.0000 0.0000 52188.3146 -108917.2483 299.9270 -161105.5629 -108561.9163 299.5619 105.3533 130.1014 761762.1680 -6.9226 -6.8967 PRESSURE: 1776600 -109.103 10.6532 11.5212 10.6529 37.0744 154.607 11.521 154.605 29.645 GPRESSURE: 1776600 -81.45 46.946 18.1695 129.999 -15.8795 95.7351 48.0308 63.4979 135.15 PRESSAVG: 1776600 33.8453 20.6077 -25.1819 20.6077 27.7221 7.81827 -25.1818 7.81831 -33.3762 GPRESSAVG: 1776600 33.6696 18.1473 -25.8612 20.8642 27.0222 6.91002 -27.0379 9.05278 -32.9697 TIMING: 1776600 CPU: 5617.41, 0.00314204/step Wall: 5617.41, 0.00314204/step, 2.81335 hours remaining, 235.914062 MB of memory in use. ENERGY: 1776600 3965.0112 20518.2371 14523.1712 227.2466 -203068.4090 2622.8681 0.0000 0.0000 52077.0646 -109134.8101 299.2876 -161211.8747 -108775.5910 299.2588 -14.1280 12.6069 761581.4657 9.3971 9.2407 PRESSURE: 1776800 -52.4749 73.1441 150.503 73.1441 -238.877 3.25627 150.503 3.25534 -60.4918 GPRESSURE: 1776800 -15.2216 -54.4665 199.077 29.8203 -177.145 43.9959 100.098 -68.7629 -81.5093 PRESSAVG: 1776800 36.9896 -14.4311 6.11401 -14.431 -16.2652 14.8861 6.11395 14.8861 5.12226 GPRESSAVG: 1776800 37.4639 -10.9738 5.83677 -15.4133 -15.9229 17.0667 4.48915 12.8598 4.66741 TIMING: 1776800 CPU: 5618.04, 0.00313577/step Wall: 5618.04, 0.00313577/step, 2.80756 hours remaining, 235.914062 MB of memory in use. ENERGY: 1776800 4034.3496 20487.8261 14522.1652 253.0471 -203122.0484 2744.6779 0.0000 0.0000 51836.0696 -109243.9129 297.9026 -161079.9825 -108880.7138 298.8695 -117.2813 -91.2920 762428.0013 8.6156 8.7361 PRESSURE: 1777000 186.14 157.597 27.4561 157.597 226.226 -158.446 27.4564 -158.446 119.051 GPRESSURE: 1777000 170.493 112.307 -9.72919 91.8207 266.927 -209.539 -77.5473 -88.9095 193.716 PRESSAVG: 1777000 -9.93744 -35.1676 -13.7424 -35.1676 21.2808 -9.0684 -13.7424 -9.06839 -7.5755 GPRESSAVG: 1777000 -9.78216 -37.3892 -13.1619 -34.1131 21.026 -7.39881 -11.8637 -9.81101 -7.60321 TIMING: 1777000 CPU: 5618.67, 0.00315178/step Wall: 5618.67, 0.00315178/step, 2.82172 hours remaining, 235.914062 MB of memory in use. ENERGY: 1777000 3989.4986 20562.1351 14528.9132 248.3209 -203234.8903 2657.0697 0.0000 0.0000 52011.2019 -109237.7509 298.9091 -161248.9528 -108887.9301 298.7964 177.1389 210.3789 761768.1675 1.2559 1.2136 PRESSURE: 1777200 10.3314 -134.67 -129.198 -134.669 34.2108 198.621 -129.198 198.621 -119.185 GPRESSURE: 1777200 21.7688 -66.0343 -109.646 -91.265 168.563 159.21 -122.063 132.144 -183.786 PRESSAVG: 1777200 14.7446 -25.9865 -29.9911 -25.9865 -17.2847 20.9886 -29.9911 20.9887 -3.90128 GPRESSAVG: 1777200 14.0356 -24.6506 -28.8331 -25.7914 -15.737 18.7661 -31.3876 22.3577 -4.0087 TIMING: 1777200 CPU: 5619.3, 0.00315961/step Wall: 5619.3, 0.00315961/step, 2.82855 hours remaining, 235.914062 MB of memory in use. ENERGY: 1777200 3929.1820 20524.0841 14539.9009 232.7959 -203400.5730 2734.4508 0.0000 0.0000 52042.1518 -109398.0075 299.0870 -161440.1594 -109035.7519 298.5584 -24.8810 2.1820 761099.2112 -2.1471 -1.9034 PRESSURE: 1777400 15.0726 247.757 -102.939 247.758 39.2294 -44.2882 -102.938 -44.288 -219.812 GPRESSURE: 1777400 90.2616 22.8249 -178.652 219.926 68.1113 -55.4481 -94.8401 -8.8544 -239.319 PRESSAVG: 1777400 -30.5485 -15.0373 -12.5246 -15.0373 23.4346 77.5438 -12.5246 77.5438 6.53195 GPRESSAVG: 1777400 -31.4779 -15.1105 -15.3206 -15.5666 23.4381 77.6209 -11.0879 77.6959 6.71333 TIMING: 1777400 CPU: 5619.93, 0.00314396/step Wall: 5619.93, 0.00314396/step, 2.81437 hours remaining, 235.914062 MB of memory in use. ENERGY: 1777400 4049.1675 20372.5741 14431.0187 241.2581 -203115.3917 2694.0074 0.0000 0.0000 51867.9610 -109459.4049 298.0859 -161327.3659 -109096.2161 298.6113 -55.1702 -26.9820 760536.1616 -0.1940 -0.4421 PRESSURE: 1777600 -30.017 -193.137 -102.961 -193.137 173.37 56.1328 -102.961 56.1322 44.7276 GPRESSURE: 1777600 -34.0006 -207.697 -65.9873 -309.315 216.181 53.7394 -34.8129 -40.3597 90.8347 PRESSAVG: 1777600 17.388 -43.8811 17.7222 -43.881 -36.3769 80.8284 17.7222 80.8283 5.50305 GPRESSAVG: 1777600 19.1763 -45.1213 19.1271 -44.0826 -38.09 81.3564 17.3488 79.9691 5.0665 TIMING: 1777600 CPU: 5620.56, 0.00316143/step Wall: 5620.56, 0.00316143/step, 2.82983 hours remaining, 235.914062 MB of memory in use. ENERGY: 1777600 4002.7131 20499.3737 14407.6737 251.5463 -203417.1373 2687.2392 0.0000 0.0000 52046.1650 -109522.4263 299.1100 -161568.5913 -109156.6447 298.7911 62.6936 91.0051 762605.7342 -4.4953 -4.6157 PRESSURE: 1777800 169.735 -191.245 55.5339 -191.245 -282.452 68.7538 55.5335 68.7544 86.66 GPRESSURE: 1777800 52.6522 -38.1773 38.5436 -208.843 -125.046 10.1314 48.399 244.432 143.365 PRESSAVG: 1777800 11.2884 -36.8231 -24.96 -36.8231 31.7146 -12.6673 -24.96 -12.6673 1.20836 GPRESSAVG: 1777800 10.039 -36.8952 -26.0479 -38.4312 31.741 -13.7493 -23.8017 -10.9354 2.06914 TIMING: 1777800 CPU: 5621.2, 0.00317584/step Wall: 5621.2, 0.00317584/step, 2.84256 hours remaining, 235.914062 MB of memory in use. ENERGY: 1777800 3992.8615 20692.8899 14510.7682 238.5895 -203316.5200 2746.5023 0.0000 0.0000 51999.5268 -109135.3818 298.8420 -161134.9086 -108781.8030 299.0765 -8.6856 23.6573 762629.3618 14.7371 14.6164 PRESSURE: 1778000 67.3373 100.231 0.134639 100.232 -71.0004 89.6194 0.1347 89.6187 395.83 GPRESSURE: 1778000 112.866 52.5219 -3.51365 96.7208 -57.8932 -9.31543 -38.2102 104.949 417.639 PRESSAVG: 1778000 65.4407 -2.50652 7.37652 -2.50648 -21.8242 23.202 7.3766 23.2021 17.065 GPRESSAVG: 1778000 65.6889 -2.86795 6.95232 0.268847 -22.8986 24.3573 6.46413 22.1495 17.7926 TIMING: 1778000 CPU: 5621.83, 0.00314331/step Wall: 5621.83, 0.00314331/step, 2.81327 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: 1778000 3967.0261 20489.3928 14511.0426 254.2056 -203177.4629 2734.5690 0.0000 0.0000 52067.0579 -109154.1689 299.2301 -161221.2268 -108795.6491 298.9124 130.7222 157.5373 762076.0200 20.2272 20.1943 PRESSURE: 1778200 -114.4 -161.271 250.965 -161.272 95.9726 -88.0604 250.965 -88.0603 793.362 GPRESSURE: 1778200 35.4658 -159.598 206.547 -168.549 122.511 -65.1632 146.306 152.216 714.837 PRESSAVG: 1778200 24.3476 -13.0102 -25.829 -13.0102 -32.0486 8.90314 -25.8291 8.9032 -8.63572 GPRESSAVG: 1778200 24.7879 -13.9314 -25.5596 -13.6558 -30.9607 7.54192 -25.3021 8.09554 -9.67929 TIMING: 1778200 CPU: 5622.46, 0.00315258/step Wall: 5622.46, 0.00315258/step, 2.82138 hours remaining, 235.914062 MB of memory in use. ENERGY: 1778200 3878.0251 20584.8707 14502.8158 254.2272 -203326.6839 2872.8816 0.0000 0.0000 52036.2576 -109197.6058 299.0531 -161233.8634 -108841.3818 299.4238 258.3118 290.9379 762816.5313 -5.4456 -5.2840 PRESSURE: 1778400 -112.629 -125.236 153.644 -125.236 276.476 71.775 153.644 71.7738 -273.659 GPRESSURE: 1778400 -136.355 -41.3975 278.623 -136.221 395.754 96.1805 209.45 -4.56172 -293.28 PRESSAVG: 1778400 83.2991 -46.2901 -31.5886 -46.29 -50.6008 8.08649 -31.5886 8.08645 1.83412 GPRESSAVG: 1778400 83.2546 -45.9698 -31.0746 -47.4887 -49.5525 8.02759 -31.1782 8.93882 1.39431 TIMING: 1778400 CPU: 5623.09, 0.00315575/step Wall: 5623.09, 0.00315575/step, 2.82405 hours remaining, 235.914062 MB of memory in use. ENERGY: 1778400 3931.2799 20552.8287 14507.4555 241.4131 -203301.4983 2606.3899 0.0000 0.0000 52195.1756 -109266.9555 299.9664 -161462.1311 -108910.5247 299.2170 -36.6042 -11.2937 762411.4477 11.5108 11.6988 PRESSURE: 1778600 270.206 56.6009 -217.104 56.6007 -80.9402 -44.0497 -217.105 -44.0505 310.03 GPRESSURE: 1778600 246.718 -35.1648 -241.515 3.57582 -36.5328 -55.9419 -207.063 37.7502 385.819 PRESSAVG: 1778600 30.9185 -56.9015 -23.5046 -56.9014 -19.0681 -17.1224 -23.5045 -17.1224 -2.89048 GPRESSAVG: 1778600 31.123 -57.2767 -21.7627 -54.772 -20.17 -16.9126 -23.8917 -17.437 -1.70124 TIMING: 1778600 CPU: 5623.72, 0.00312975/step Wall: 5623.72, 0.00312975/step, 2.8006 hours remaining, 235.914062 MB of memory in use. ENERGY: 1778600 3911.5773 20524.3776 14505.8829 242.0040 -203755.2908 2858.8801 0.0000 0.0000 52103.6990 -109608.8699 299.4407 -161712.5689 -109249.6377 298.7860 166.4318 198.6682 761483.3210 2.9866 3.0839 PRESSURE: 1778800 74.6476 -150.251 0.392162 -150.251 255.157 -95.4887 0.392109 -95.4879 -223.634 GPRESSURE: 1778800 62.5663 -70.1381 -17.3723 -17.3487 289.523 -78.5745 -32.4046 -20.8889 -152.304 PRESSAVG: 1778800 54.9374 -49.1637 -17.5581 -49.1637 -82.3382 10.5149 -17.5581 10.5148 -11.7287 GPRESSAVG: 1778800 54.4296 -46.6244 -19.546 -49.853 -80.9082 8.39811 -17.3837 10.5729 -12.8408 TIMING: 1778800 CPU: 5624.34, 0.00313996/step Wall: 5624.34, 0.00313996/step, 2.80956 hours remaining, 235.914062 MB of memory in use. ENERGY: 1778800 3949.3911 20423.5268 14541.1594 263.0948 -203475.7688 2870.1250 0.0000 0.0000 51790.8143 -109637.6574 297.6425 -161428.4717 -109265.9728 298.2260 35.3904 66.5950 761818.9472 -13.0432 -13.1065 PRESSURE: 1779000 -252.212 -1.40125 -14.042 -1.40107 31.0873 36.3626 -14.0414 36.3624 -187.339 GPRESSURE: 1779000 -205.625 6.401 -25.3934 -71.4785 68.5756 -6.47738 71.0531 36.6027 -182.321 PRESSAVG: 1779000 -47.5915 -22.5071 2.42735 -22.5072 18.8933 -1.45653 2.42741 -1.45654 -0.907493 GPRESSAVG: 1779000 -46.0873 -25.3873 3.69245 -23.0659 17.3696 -0.913661 3.24632 0.759898 -0.872647 TIMING: 1779000 CPU: 5624.98, 0.00316283/step Wall: 5624.98, 0.00316283/step, 2.82986 hours remaining, 235.914062 MB of memory in use. ENERGY: 1779000 3874.7448 20536.1848 14515.8825 235.5458 -203326.2361 2637.9337 0.0000 0.0000 51968.7406 -109557.2039 298.6651 -161525.9445 -109198.8400 298.2089 -136.1547 -106.4569 762214.2160 -9.8686 -9.8635 PRESSURE: 1779200 132.777 -61.7201 -240.466 -61.7199 -137.929 95.4133 -240.465 95.4124 61.2002 GPRESSURE: 1779200 124.182 -82.6054 -229.77 -103.256 -105.575 5.24486 -170.723 71.0455 104.828 PRESSAVG: 1779200 25.4502 10.8718 13.3193 10.8718 11.0707 -28.0297 13.3194 -28.0297 10.8074 GPRESSAVG: 1779200 24.8327 11.7968 14.7555 8.59668 12.3015 -26.7029 11.7447 -31.7931 10.3739 TIMING: 1779200 CPU: 5625.61, 0.00314944/step Wall: 5625.61, 0.00314944/step, 2.8177 hours remaining, 235.914062 MB of memory in use. ENERGY: 1779200 3944.3687 20605.8970 14446.9871 231.6775 -203569.9515 2629.5423 0.0000 0.0000 51886.5481 -109824.9307 298.1927 -161711.4788 -109464.5009 298.3898 18.6829 41.1449 762106.9349 15.7761 15.8360 PRESSURE: 1779400 -275.262 146.972 62.6465 146.972 -209.676 -45.3382 62.6454 -45.3386 -36.8851 GPRESSURE: 1779400 -265.352 90.4526 -0.136569 262.131 -145.466 -76.269 -52.371 65.3981 -8.38869 PRESSAVG: 1779400 27.3174 -27.8946 -2.11626 -27.8946 -76.1624 72.0652 -2.11633 72.0652 5.61227 GPRESSAVG: 1779400 28.0306 -28.1559 -4.26218 -25.1779 -75.9918 71.0292 -2.07746 73.9543 4.61332 TIMING: 1779400 CPU: 5626.23, 0.00313737/step Wall: 5626.23, 0.00313737/step, 2.80673 hours remaining, 235.914062 MB of memory in use. ENERGY: 1779400 3978.9825 20258.6325 14438.4695 245.0663 -202938.7986 2327.8075 0.0000 0.0000 51766.1791 -109923.6611 297.5009 -161689.8403 -109549.4585 297.5774 -173.9410 -139.7357 761775.6938 -14.4109 -14.4493 PRESSURE: 1779600 -276.986 -66.9777 205.164 -66.9769 -19.3702 -154.414 205.163 -154.416 -90.4167 GPRESSURE: 1779600 -196.508 -97.7053 192.477 -91.3165 -14.444 -125.937 191.226 -142.184 -107.303 PRESSAVG: 1779600 4.74224 -34.1692 -33.5931 -34.1692 -22.8594 -3.81676 -33.5931 -3.81676 9.2011 GPRESSAVG: 1779600 4.30995 -34.1549 -33.5799 -35.3228 -23.4956 -4.47853 -33.1378 -5.44823 10.1577 TIMING: 1779600 CPU: 5626.86, 0.00315171/step Wall: 5626.86, 0.00315171/step, 2.81938 hours remaining, 235.914062 MB of memory in use. ENERGY: 1779600 3929.5883 20529.8257 14437.5131 238.1778 -203193.7022 2485.1187 0.0000 0.0000 51886.3385 -109687.1401 298.1915 -161573.4787 -109336.5156 297.8725 -128.9241 -106.0849 760528.8539 -2.9720 -3.0093 PRESSURE: 1779800 327.537 22.3872 195.752 22.3873 8.37599 -60.364 195.751 -60.3633 -67.3119 GPRESSURE: 1779800 318.193 -145.861 219.218 168.199 62.3865 -92.3427 177.821 77.46 -42.3168 PRESSAVG: 1779800 80.9303 -39.1376 -6.77915 -39.1376 -51.428 27.6512 -6.77922 27.6513 11.4903 GPRESSAVG: 1779800 81.5178 -38.97 -6.16053 -36.8292 -50.5066 28.6285 -7.30239 28.2955 10.2603 TIMING: 1779800 CPU: 5627.5, 0.00317535/step Wall: 5627.5, 0.00317535/step, 2.84035 hours remaining, 235.914062 MB of memory in use. ENERGY: 1779800 3956.9767 20277.3990 14414.0717 228.5857 -203605.1612 2898.8913 0.0000 0.0000 52297.6133 -109531.6235 300.5551 -161829.2368 -109171.8628 298.5871 89.5337 112.7543 759013.5650 13.6642 13.7572 PRESSURE: 1780000 9.46725 0.787595 -6.29137 0.787363 10.0301 50.0304 -6.2921 50.0304 -32.2991 GPRESSURE: 1780000 -31.5244 -89.4386 -42.2763 -47.3984 97.2556 79.3987 17.7155 172.429 6.05851 PRESSAVG: 1780000 34.1427 -26.8484 10.6917 -26.8484 -49.8208 -25.8705 10.6917 -25.8705 -13.9761 GPRESSAVG: 1780000 34.2463 -25.8821 10.3963 -29.8458 -49.7875 -26.138 11.4065 -26.4877 -13.9396 TIMING: 1780000 CPU: 5628.13, 0.00314491/step Wall: 5628.13, 0.00314491/step, 2.81294 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: 1780000 3921.4385 20577.2669 14521.1434 240.3602 -203237.7569 2615.2355 0.0000 0.0000 51851.6392 -109510.6732 297.9921 -161362.3124 -109156.0902 298.6878 -4.2673 23.9299 762779.3111 -9.8847 -9.8270 PRESSURE: 1780200 -240.302 -35.3537 -17.5029 -35.3538 -400.75 138.426 -17.5029 138.426 -134.916 GPRESSURE: 1780200 -241.599 -123.892 -0.934224 -124.996 -255.956 111.414 41.9084 208.756 -192.557 PRESSAVG: 1780200 13.7626 -23.7887 -31.5143 -23.7887 -6.40235 -17.8247 -31.5143 -17.8246 -5.51828 GPRESSAVG: 1780200 13.0352 -24.6659 -30.0492 -25.1286 -5.18898 -16.9725 -34.7907 -17.1865 -6.28744 TIMING: 1780200 CPU: 5628.76, 0.00315647/step Wall: 5628.76, 0.00315647/step, 2.82312 hours remaining, 235.914062 MB of memory in use. ENERGY: 1780200 3915.5099 20549.4206 14378.3987 244.2749 -203003.2091 2587.2812 0.0000 0.0000 51944.6521 -109383.6716 298.5266 -161328.3237 -109015.3198 298.5987 -258.6560 -230.0373 762660.1108 0.6140 0.5196 LDB: ============= START OF LOAD BALANCING ============== 5641.29 LDB: ============== END OF LOAD BALANCING =============== 5641.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5641.3 LDB: ============= START OF LOAD BALANCING ============== 5641.61 LDB: Largest compute 7037 load 0.029154 is 14.9% of average load 0.195570 LDB: Average compute 0.004363 is 2.2% of average load 0.195570 LDB: TIME 5641.61 LOAD: AVG 0.19557 MAX 0.214405 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 5641.61 LOAD: AVG 0.19557 MAX 0.214405 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 5641.61 LOAD: AVG 0.19557 MAX 0.214405 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 5641.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5641.62 PRESSURE: 1780400 90.0303 -188.051 -243.397 -188.051 -206.111 23.1446 -243.397 23.1453 107.11 GPRESSURE: 1780400 174.051 -122.21 -223.618 -150.351 -124.937 33.2968 -96.1032 -58.5656 26.3894 PRESSAVG: 1780400 -9.26964 -68.8003 31.2598 -68.8002 5.32677 13.9353 31.2598 13.9353 -2.52874 GPRESSAVG: 1780400 -9.9126 -68.0521 30.9031 -69.0137 5.66177 13.936 31.5653 15.9601 -1.9608 TIMING: 1780400 CPU: 5629.41, 0.00322931/step Wall: 5629.41, 0.00322931/step, 2.88808 hours remaining, 235.191406 MB of memory in use. ENERGY: 1780400 3941.2360 20573.5223 14485.9922 256.6294 -203322.1771 2786.5759 0.0000 0.0000 51973.0925 -109305.1288 298.6901 -161278.2214 -108945.2945 298.8877 -2.9902 25.1678 761912.7427 -2.1572 -2.0705 PRESSURE: 1780600 -593.399 -100.939 92.3946 -100.94 -276.766 120.459 92.3943 120.459 -304.08 GPRESSURE: 1780600 -577.983 -16.6252 -29.5655 -62.3771 -220.971 153.482 159.251 62.692 -293.773 PRESSAVG: 1780600 0.912084 -128.453 -10.5363 -128.453 -33.7739 1.76991 -10.5362 1.76999 -24.1743 GPRESSAVG: 1780600 2.81982 -128.075 -9.59074 -128.525 -35.4111 0.715989 -10.437 1.85598 -23.8039 TIMING: 1780600 CPU: 5630.03, 0.00314582/step Wall: 5630.03, 0.00314582/step, 2.81324 hours remaining, 235.394531 MB of memory in use. ENERGY: 1780600 3954.2210 20547.2331 14523.9455 245.7047 -202794.4937 2061.1575 0.0000 0.0000 51972.8330 -109489.3988 298.6886 -161462.2318 -109143.5669 298.7025 -391.4152 -364.2426 763623.3676 -19.0120 -18.7984 PRESSURE: 1780800 114.178 -168.733 12.4103 -168.734 -4.32226 350.217 12.4109 350.218 -112.876 GPRESSURE: 1780800 103.905 -172.854 28.4674 -180.09 44.7587 343.501 -90.6451 160.114 -83.0199 PRESSAVG: 1780800 29.2742 -66.2448 -13.0774 -66.2449 14.1523 -20.6129 -13.0774 -20.6129 5.09561 GPRESSAVG: 1780800 29.3358 -67.1918 -15.363 -64.2083 14.2566 -19.6895 -11.1144 -21.8709 4.91703 TIMING: 1780800 CPU: 5630.67, 0.00315588/step Wall: 5630.67, 0.00315588/step, 2.82206 hours remaining, 235.656250 MB of memory in use. ENERGY: 1780800 3926.7078 20485.7235 14530.5585 241.9538 -203334.2349 2681.3679 0.0000 0.0000 51973.2365 -109494.6869 298.6909 -161467.9234 -109132.5901 298.5368 -1.0070 21.8814 763375.0787 16.1740 16.1698 PRESSURE: 1781000 -114.7 72.6732 48.6365 72.6731 -71.4737 -238.939 48.6359 -238.939 -56.1677 GPRESSURE: 1781000 -102.911 81.1746 12.998 -10.6336 -62.0203 -280.4 59.1346 -144.03 8.97515 PRESSAVG: 1781000 29.195 -80.9882 -38.5348 -80.9883 -23.2638 -31.3725 -38.5348 -31.3725 18.1265 GPRESSAVG: 1781000 28.9331 -80.6386 -37.4055 -80.3365 -24.0311 -31.7025 -38.0738 -30.2304 18.8256 TIMING: 1781000 CPU: 5631.3, 0.003159/step Wall: 5631.3, 0.003159/step, 2.82467 hours remaining, 235.656250 MB of memory in use. ENERGY: 1781000 3956.2258 20471.4707 14546.1042 246.0323 -203257.5239 2592.8795 0.0000 0.0000 52011.5485 -109433.2629 298.9111 -161444.8114 -109073.2136 298.4336 -80.7803 -51.9853 763558.9087 8.0192 7.9092 PRESSURE: 1781200 86.1617 0.520815 10.1723 0.520795 -116.781 -50.1914 10.172 -50.1909 99.9696 GPRESSURE: 1781200 126.126 12.9394 18.7095 25.1854 -119.425 -16.2287 -29.0602 43.2895 152.945 PRESSAVG: 1781200 37.066 -30.2393 -22.1548 -30.2394 -54.9565 -68.6696 -22.1548 -68.6696 -8.49011 GPRESSAVG: 1781200 36.5685 -31.3714 -21.4695 -30.3651 -53.1786 -69.627 -22.6017 -69.06 -9.89399 TIMING: 1781200 CPU: 5631.92, 0.00312855/step Wall: 5631.92, 0.00312855/step, 2.79728 hours remaining, 235.656250 MB of memory in use. ENERGY: 1781200 3921.3983 20436.1874 14556.4301 265.9581 -203658.1306 2782.6568 0.0000 0.0000 52309.4488 -109386.0511 300.6231 -161695.4999 -109033.5866 298.9532 23.1167 53.2153 762655.4762 -8.7935 -8.8347 PRESSURE: 1781400 222.288 -352.973 117.032 -352.972 -27.0603 -116.51 117.033 -116.51 12.4561 GPRESSURE: 1781400 193.366 -335.647 -7.64664 -184.452 66.2444 -100.976 220.263 -122.462 18.7527 PRESSAVG: 1781400 18.6968 -86.0726 -81.1011 -86.0726 20.0747 -73.3482 -81.1011 -73.3482 26.9015 GPRESSAVG: 1781400 18.3536 -83.2948 -83.1584 -86.104 19.1811 -72.6695 -81.7181 -74.7286 28.0603 TIMING: 1781400 CPU: 5632.55, 0.00315948/step Wall: 5632.55, 0.00315948/step, 2.82475 hours remaining, 235.925781 MB of memory in use. ENERGY: 1781400 3936.9059 20530.0255 14534.4670 257.8452 -203627.1830 2901.4949 0.0000 0.0000 52183.8986 -109282.5459 299.9016 -161466.4445 -108927.5226 299.1887 69.2280 92.7878 763372.6157 21.8910 21.8650 PRESSURE: 1781600 278.115 44.4679 -173.518 44.4677 30.6789 -52.5132 -173.519 -52.5125 46.8392 GPRESSURE: 1781600 219.678 73.1058 -93.8622 60.9629 26.506 -102.599 -209.207 -3.05929 174.13 PRESSAVG: 1781600 19.8563 -62.1789 19.8733 -62.1788 -11.3457 -6.49476 19.8734 -6.49478 8.19614 GPRESSAVG: 1781600 19.8789 -63.2285 21.3756 -61.3404 -11.3346 -5.83405 20.5653 -7.24316 8.02808 TIMING: 1781600 CPU: 5633.19, 0.00315313/step Wall: 5633.19, 0.00315313/step, 2.8189 hours remaining, 235.925781 MB of memory in use. ENERGY: 1781600 3962.1470 20523.6535 14561.1346 245.0644 -203244.1681 2572.6695 0.0000 0.0000 51988.0968 -109391.4023 298.7763 -161379.4991 -109030.2683 299.0160 118.5442 140.1046 762238.8032 5.5689 5.5241 PRESSURE: 1781800 55.4991 -92.5179 -40.7263 -92.5177 -67.1127 130.544 -40.7271 130.544 219.335 GPRESSURE: 1781800 176.829 -96.9176 29.9171 -100.999 -76.5933 250.747 -105.662 41.6657 198.605 PRESSAVG: 1781800 15.0253 -63.4985 -12.708 -63.4985 -11.3928 -45.3081 -12.708 -45.308 22.4013 GPRESSAVG: 1781800 15.9359 -63.8792 -13.447 -62.6132 -12.0278 -46.0401 -13.2055 -42.613 22.414 TIMING: 1781800 CPU: 5633.81, 0.00314194/step Wall: 5633.81, 0.00314194/step, 2.80872 hours remaining, 235.925781 MB of memory in use. ENERGY: 1781800 3941.5955 20611.4656 14537.8249 253.6223 -202910.8849 2498.0723 0.0000 0.0000 51687.2843 -109381.0200 297.0475 -161068.3043 -109022.3740 298.6919 69.2405 99.6136 763471.7340 8.6779 8.7740 PRESSURE: 1782000 -138.362 -172.915 -273.299 -172.914 -107.373 148.243 -273.299 148.242 -113.448 GPRESSURE: 1782000 -97.2118 -196.215 -277.292 -176.422 -31.7655 90.1493 -33.9186 177.545 -101.833 PRESSAVG: 1782000 71.4409 -76.5748 19.0051 -76.5748 -47.9663 -19.69 19.0051 -19.69 -17.9048 GPRESSAVG: 1782000 71.8585 -75.9009 19.9548 -78.9708 -47.6327 -19.815 18.5064 -22.1582 -18.042 TIMING: 1782000 CPU: 5634.44, 0.00313749/step Wall: 5634.44, 0.00313749/step, 2.80457 hours remaining, 235.925781 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: 1782000 3948.7145 20462.1505 14476.4260 251.3938 -203359.6874 2695.7688 0.0000 0.0000 51922.2693 -109602.9644 298.3980 -161525.2337 -109239.1610 298.7749 -119.7274 -76.9366 762636.8411 1.8566 2.0613 PRESSURE: 1782200 57.5772 203.887 56.5598 203.887 179.365 110.017 56.5595 110.017 -394.808 GPRESSURE: 1782200 60.8006 177.115 1.40141 76.0558 179.889 225.336 71.121 66.2481 -332.41 PRESSAVG: 1782200 24.9573 -14.1709 20.2183 -14.1709 -42.6437 11.5272 20.2183 11.5271 13.1249 GPRESSAVG: 1782200 23.4774 -14.4495 18.8533 -14.4712 -41.9438 10.5696 21.983 12.3405 13.6278 TIMING: 1782200 CPU: 5635.07, 0.00316392/step Wall: 5635.07, 0.00316392/step, 2.82801 hours remaining, 235.925781 MB of memory in use. ENERGY: 1782200 4017.8284 20500.5175 14505.2500 241.6354 -203436.9297 2670.0122 0.0000 0.0000 52076.5180 -109425.1682 299.2845 -161501.6862 -109055.3433 299.0099 -52.6218 -30.5735 762122.1926 -1.5205 -1.6129 PRESSURE: 1782400 -220.95 -113.604 341.641 -113.603 -289.865 -114.565 341.641 -114.565 -206.107 GPRESSURE: 1782400 -217.998 -135.888 442.071 -203.569 -264.103 -112.327 325.372 -159.386 -165.604 PRESSAVG: 1782400 30.4172 -25.5758 49.5988 -25.5757 -81.1189 13.5491 49.5988 13.5491 6.30555 GPRESSAVG: 1782400 31.1407 -25.477 50.5441 -25.0197 -80.9615 14.7287 48.2136 14.5129 5.41972 TIMING: 1782400 CPU: 5635.71, 0.00317121/step Wall: 5635.71, 0.00317121/step, 2.83436 hours remaining, 235.925781 MB of memory in use. ENERGY: 1782400 4079.9291 20510.7482 14496.5653 236.3424 -203203.5904 2399.1484 0.0000 0.0000 52045.2299 -109435.6272 299.1047 -161480.8571 -109074.2908 298.8703 -238.9739 -215.9015 763049.9661 -14.7987 -14.8004 PRESSURE: 1782600 -152.814 87.7491 196.889 87.75 -10.0467 -42.5473 196.888 -42.548 -235.857 GPRESSURE: 1782600 -113.015 71.1016 176.215 72.1196 -26.3407 -50.1316 146.556 130.72 -194.813 PRESSAVG: 1782600 -11.2768 -37.7294 11.9582 -37.7294 41.2641 22.1705 11.9582 22.1704 2.38083 GPRESSAVG: 1782600 -11.6284 -37.0507 12.536 -38.4652 40.8844 20.8127 13.0297 22.2128 3.19885 TIMING: 1782600 CPU: 5636.34, 0.00316581/step Wall: 5636.34, 0.00316581/step, 2.82936 hours remaining, 235.925781 MB of memory in use. ENERGY: 1782600 4015.0795 20752.5290 14435.0488 246.1862 -203062.8976 2466.9049 0.0000 0.0000 51844.2550 -109302.8943 297.9496 -161147.1493 -108941.3259 299.2564 -132.9061 -111.3895 762053.1034 10.7894 10.8183 PRESSURE: 1782800 -516.176 22.3179 138.598 22.3184 -3.6903 267.957 138.598 267.957 -6.72466 GPRESSURE: 1782800 -520.501 -21.083 163.787 28.8122 19.1048 335.233 91.4101 213.561 61.2954 PRESSAVG: 1782800 -37.2043 -50.4545 -15.3037 -50.4545 51.707 14.7905 -15.3037 14.7905 -8.57049 GPRESSAVG: 1782800 -36.8232 -51.121 -17.305 -50.0432 51.8686 15.5557 -14.2621 15.1831 -8.95128 TIMING: 1782800 CPU: 5636.97, 0.00314986/step Wall: 5636.97, 0.00314986/step, 2.81492 hours remaining, 235.925781 MB of memory in use. ENERGY: 1782800 3989.9139 20718.2852 14496.4445 249.3547 -202785.2283 2211.1222 0.0000 0.0000 51845.1307 -109274.9771 297.9547 -161120.1077 -108913.0121 299.5124 -175.5302 -146.7002 762280.9357 1.9774 2.0314 PRESSURE: 1783000 -139.441 111.267 -154.731 111.267 164.942 -62.0466 -154.731 -62.0471 -260.675 GPRESSURE: 1783000 -71.7137 202.774 -100.859 81.7368 203.331 -71.8904 -166.959 -38.2295 -275.325 PRESSAVG: 1783000 -7.10238 -13.8648 27.2616 -13.8648 52.2918 -60.2626 27.2616 -60.2625 -2.94339 GPRESSAVG: 1783000 -6.46128 -12.4536 28.9637 -13.0904 52.1195 -61.5892 25.6402 -62.0546 -3.79241 TIMING: 1783000 CPU: 5637.61, 0.00317488/step Wall: 5637.61, 0.00317488/step, 2.83711 hours remaining, 235.925781 MB of memory in use. ENERGY: 1783000 4027.0161 20365.3328 14539.7864 240.5071 -203239.9430 2624.6175 0.0000 0.0000 52200.5413 -109242.1418 299.9972 -161442.6831 -108875.7368 299.0723 -78.3915 -47.9027 762615.2181 14.0820 13.9553 PRESSURE: 1783200 310.695 75.2043 -63.1749 75.2035 153.01 -386.024 -63.1743 -386.023 -443.689 GPRESSURE: 1783200 330.173 146.606 76.956 -94.0873 129.331 -426.766 16.3371 -422.414 -350.707 PRESSAVG: 1783200 21.1545 -11.4815 -13.3604 -11.4814 -43.8216 -40.4594 -13.3604 -40.4594 0.742855 GPRESSAVG: 1783200 20.9249 -12.908 -14.7278 -11.5441 -44.3551 -40.6692 -11.9317 -41.5642 1.00157 TIMING: 1783200 CPU: 5638.24, 0.00315207/step Wall: 5638.24, 0.00315207/step, 2.81655 hours remaining, 235.925781 MB of memory in use. ENERGY: 1783200 4042.6880 20641.4799 14483.7159 237.8779 -203538.8695 2891.6007 0.0000 0.0000 51835.1819 -109406.3251 297.8975 -161241.5069 -109048.3167 299.1041 6.6717 36.2657 762232.9331 -7.3081 -7.4762 PRESSURE: 1783400 30.3851 -141.47 89.5564 -141.469 -36.7067 141.168 89.557 141.167 -248.269 GPRESSURE: 1783400 23.6335 -151.24 48.3787 -108.029 -30.1526 174.179 51.9854 123.218 -155.401 PRESSAVG: 1783400 3.99695 -119.13 15.6616 -119.13 22.9484 -34.0228 15.6616 -34.0228 5.96692 GPRESSAVG: 1783400 3.03783 -118.56 17.4238 -119.559 23.2526 -32.2433 13.7897 -32.6267 6.33316 TIMING: 1783400 CPU: 5638.87, 0.00315466/step Wall: 5638.87, 0.00315466/step, 2.81869 hours remaining, 235.925781 MB of memory in use. ENERGY: 1783400 3985.5522 20469.5307 14548.1773 248.1728 -203724.1060 2771.0502 0.0000 0.0000 52198.8879 -109502.7349 299.9877 -161701.6228 -109140.5269 298.8177 -84.8635 -53.9735 760540.4271 10.9708 10.8745 PRESSURE: 1783600 200.311 -83.4545 -18.8787 -83.4541 -249.563 73.0227 -18.8781 73.0208 70.2554 GPRESSURE: 1783600 215.852 -43.789 54.165 -88.3906 -189.977 92.6423 -39.0493 -5.0339 83.3112 PRESSAVG: 1783600 -10.9683 -77.0991 -22.9556 -77.0991 19.7625 50.526 -22.9556 50.5259 -21.8428 GPRESSAVG: 1783600 -11.2227 -78.112 -24.0802 -76.9705 19.7687 50.1001 -22.3277 49.2716 -21.597 TIMING: 1783600 CPU: 5639.5, 0.0031639/step Wall: 5639.5, 0.0031639/step, 2.82677 hours remaining, 235.925781 MB of memory in use. ENERGY: 1783600 4060.0921 20523.4963 14528.2101 223.5516 -203759.7265 2986.8699 0.0000 0.0000 52056.4494 -109381.0571 299.1691 -161437.5065 -109015.4772 299.0836 7.0011 36.3955 761635.1685 -4.3495 -4.3503 PRESSURE: 1783800 -265.137 107.937 104.632 107.935 -558.74 -145.638 104.63 -145.638 -331.183 GPRESSURE: 1783800 -228.939 58.2692 146.093 35.4389 -499.55 -84.5419 -37.6795 -169.447 -342.609 PRESSAVG: 1783800 -5.70847 -26.793 13.9099 -26.793 -29.5608 -4.82373 13.9099 -4.82381 -10.5057 GPRESSAVG: 1783800 -5.7333 -25.6359 12.9185 -27.6242 -28.8905 -4.57336 16.0418 -3.02012 -11.8581 TIMING: 1783800 CPU: 5640.13, 0.00315318/step Wall: 5640.13, 0.00315318/step, 2.81702 hours remaining, 235.925781 MB of memory in use. ENERGY: 1783800 4087.2454 20501.7455 14522.2972 239.2253 -203234.6033 2526.7817 0.0000 0.0000 51876.3374 -109480.9708 298.1340 -161357.3082 -109112.9454 298.9547 -385.0202 -357.0326 762920.5810 -15.2583 -15.4940 PRESSURE: 1784000 -435.407 101.304 -146.059 101.305 148.396 -193.799 -146.06 -193.8 -180.523 GPRESSURE: 1784000 -293.265 59.7283 -98.6772 149.75 164.887 -162.642 -86.5653 -288.739 -251.762 PRESSAVG: 1784000 26.3448 -12.3914 4.68928 -12.3913 1.47504 -16.783 4.6893 -16.783 11.1666 GPRESSAVG: 1784000 26.9649 -15.0298 7.40835 -10.9896 -0.476046 -17.9161 1.54807 -17.8569 11.7273 TIMING: 1784000 CPU: 5640.76, 0.00314151/step Wall: 5640.76, 0.00314151/step, 2.80642 hours remaining, 235.925781 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: 1784000 4010.0425 20615.9371 14478.5318 253.2613 -203437.9089 2704.4410 0.0000 0.0000 51963.3777 -109412.3175 298.6342 -161375.6953 -109060.8505 298.7918 -155.8448 -126.7134 760772.3603 12.9955 12.7387 PRESSURE: 1784200 -0.775693 -59.1236 221.898 -59.1239 -119.126 -128.804 221.898 -128.804 -83.7259 GPRESSURE: 1784200 -19.4485 -20.8889 174.524 9.80537 -51.7621 -55.7601 262.628 -156.372 -47.9061 PRESSAVG: 1784200 -30.2621 -15.0045 13.8656 -15.0044 41.1499 -17.1999 13.8657 -17.1999 8.13497 GPRESSAVG: 1784200 -29.9874 -14.3203 11.7794 -13.0247 41.8339 -16.8543 16.6752 -18.2514 6.9531 TIMING: 1784200 CPU: 5641.39, 0.00317656/step Wall: 5641.39, 0.00317656/step, 2.83755 hours remaining, 235.925781 MB of memory in use. ENERGY: 1784200 4045.0139 20565.4062 14427.3632 241.0131 -203537.1652 2746.7207 0.0000 0.0000 52226.6995 -109284.9486 300.1476 -161511.6482 -108924.1904 299.0840 -67.8760 -39.7055 760937.0484 6.3409 6.2665 LDB: ============= START OF LOAD BALANCING ============== 5653.93 LDB: ============== END OF LOAD BALANCING =============== 5653.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5653.93 LDB: ============= START OF LOAD BALANCING ============== 5654.25 LDB: Largest compute 7049 load 0.031787 is 16.3% of average load 0.195479 LDB: Average compute 0.004345 is 2.2% of average load 0.195479 LDB: TIME 5654.25 LOAD: AVG 0.195479 MAX 0.214876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.312 MB LDB: TIME 5654.25 LOAD: AVG 0.195479 MAX 0.214876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: TIME 5654.25 LOAD: AVG 0.195479 MAX 0.214876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: ============== END OF LOAD BALANCING =============== 5654.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5654.26 PRESSURE: 1784400 -324.044 -43.5352 -89.6089 -43.5356 194.838 -6.22219 -89.6093 -6.2225 123.972 GPRESSURE: 1784400 -289.099 -46.2012 10.3947 -64.0332 178.343 9.41481 42.2323 -44.8421 186.805 PRESSAVG: 1784400 -13.4013 -17.5663 15.8436 -17.5663 -8.30768 20.7371 15.8437 20.7371 9.70239 GPRESSAVG: 1784400 -13.1632 -16.4039 17.3539 -20.3883 -9.20645 18.4451 16.4403 22.4374 10.8064 TIMING: 1784400 CPU: 5642.04, 0.0032375/step Wall: 5642.04, 0.00323751/step, 2.89181 hours remaining, 234.988281 MB of memory in use. ENERGY: 1784400 3989.7994 20684.9225 14535.0063 239.6894 -203266.6427 2593.3423 0.0000 0.0000 52212.7858 -109011.0970 300.0676 -161223.8827 -108656.1672 299.6848 -1.7443 25.3496 760260.9031 -4.0022 -3.8544 PRESSURE: 1784600 134.04 -159.401 -36.5148 -159.401 205.334 67.9449 -36.5143 67.9443 201.375 GPRESSURE: 1784600 234.789 -162.458 -75.6807 -105.222 228.083 123.767 26.8283 191.41 158.779 PRESSAVG: 1784600 -35.3466 -19.8221 53.4648 -19.8221 31.5338 35.7981 53.4649 35.7981 1.86451 GPRESSAVG: 1784600 -36.325 -20.6026 52.4808 -19.4351 32.0554 36.9813 50.5489 36.2962 1.59291 TIMING: 1784600 CPU: 5642.67, 0.00315155/step Wall: 5642.67, 0.00315155/step, 2.81486 hours remaining, 234.988281 MB of memory in use. ENERGY: 1784600 4025.8056 20474.0115 14521.8235 249.3837 -203598.6458 2878.8149 0.0000 0.0000 52296.2708 -109152.5357 300.5474 -161448.8066 -108786.4494 299.7500 180.2498 207.2170 762844.6349 -0.6494 -0.8922 PRESSURE: 1784800 181.838 -23.5785 -53.0949 -23.5788 158.807 -167.046 -53.0946 -167.046 171.141 GPRESSURE: 1784800 233.047 64.4268 -62.222 39.8663 121.415 -220.383 25.8408 -133.403 249.336 PRESSAVG: 1784800 -6.18563 -28.6613 -19.8243 -28.6612 20.0682 -4.09385 -19.8244 -4.09383 10.1513 GPRESSAVG: 1784800 -5.77992 -28.3724 -20.6129 -30.5784 21.1386 -3.67331 -20.6491 -5.10264 8.84489 TIMING: 1784800 CPU: 5643.3, 0.00314064/step Wall: 5643.3, 0.00314064/step, 2.80494 hours remaining, 235.191406 MB of memory in use. ENERGY: 1784800 4027.0101 20499.6701 14473.5164 244.8993 -203715.8816 2867.5320 0.0000 0.0000 52473.6117 -109129.6420 301.5666 -161603.2537 -108775.1349 300.0219 170.5953 201.2658 761912.3262 8.0113 8.0679 PRESSURE: 1785000 -40.5516 -1.45027 33.7115 -1.45026 17.073 -44.0432 33.7126 -44.0438 246.139 GPRESSURE: 1785000 -31.5555 5.88522 88.3139 -10.6301 149.22 -18.1613 61.6291 -90.1837 191.691 PRESSAVG: 1785000 -16.9918 33.0315 22.6557 33.0315 19.7302 -6.92001 22.6557 -6.91999 14.5943 GPRESSAVG: 1785000 -17.0915 32.1222 22.9014 34.5601 19.4166 -8.40921 25.4931 -6.38079 15.1596 TIMING: 1785000 CPU: 5643.93, 0.00314433/step Wall: 5643.93, 0.00314433/step, 2.80806 hours remaining, 235.191406 MB of memory in use. ENERGY: 1785000 3992.9563 20649.0959 14521.9955 232.5291 -203370.4143 2727.7816 0.0000 0.0000 52213.7938 -109032.2620 300.0734 -161246.0559 -108670.6877 299.9268 74.2200 103.1184 761956.9609 5.7776 5.8282 PRESSURE: 1785200 -545.404 -133.483 -2.48748 -133.483 -374.147 170.735 -2.48707 170.734 -405.172 GPRESSURE: 1785200 -439.75 -106.644 9.49438 -114.456 -355.768 211.442 36.2592 112.658 -449.494 PRESSAVG: 1785200 -56.777 -2.81604 29.1629 -2.81603 30.0642 -13.2197 29.1629 -13.2197 4.0126 GPRESSAVG: 1785200 -56.7049 -0.356019 31.5813 -3.81817 28.8252 -13.0774 27.2713 -14.803 4.61164 TIMING: 1785200 CPU: 5644.56, 0.0031388/step Wall: 5644.56, 0.0031388/step, 2.80295 hours remaining, 235.394531 MB of memory in use. ENERGY: 1785200 4062.9127 20521.7975 14502.0695 256.4543 -203049.4253 2448.6146 0.0000 0.0000 52046.0410 -109211.5357 299.1093 -161257.5768 -108857.4011 299.7062 -441.5745 -415.0041 761745.2758 -7.5667 -7.7560 PRESSURE: 1785400 179.093 -81.9282 200.333 -81.9281 11.2033 71.1784 200.332 71.1792 -9.7689 GPRESSURE: 1785400 160.877 -77.9535 268.216 -11.6236 151.354 199.274 127.889 -40.8958 -39.1739 PRESSAVG: 1785400 -2.08593 -37.8899 81.8015 -37.8898 -25.8223 -21.6532 81.8015 -21.6532 4.73627 GPRESSAVG: 1785400 -3.061 -39.7238 81.3084 -36.3897 -23.9126 -20.0816 81.1425 -22.2145 3.64876 TIMING: 1785400 CPU: 5645.18, 0.00312232/step Wall: 5645.18, 0.00312232/step, 2.78806 hours remaining, 235.394531 MB of memory in use. ENERGY: 1785400 4010.9930 20437.3832 14504.1048 240.8707 -203568.2705 2756.7078 0.0000 0.0000 52223.9568 -109394.2542 300.1318 -161618.2110 -109026.4798 299.3160 60.1757 91.0191 761052.2421 -7.7240 -7.7749 PRESSURE: 1785600 177.023 -237.596 68.7472 -237.597 34.5032 17.3748 68.7474 17.3747 184.648 GPRESSURE: 1785600 201.869 -222.837 188.407 -227.001 70.5807 37.5627 173.41 -70.3501 203.056 PRESSAVG: 1785600 -16.0913 4.9717 35.3006 4.97171 59.0623 -43.6631 35.3007 -43.6632 1.04776 GPRESSAVG: 1785600 -15.0454 4.97778 33.3248 5.02162 57.7545 -44.432 36.9264 -42.7108 1.33609 TIMING: 1785600 CPU: 5645.81, 0.00312312/step Wall: 5645.81, 0.00312312/step, 2.7886 hours remaining, 235.394531 MB of memory in use. ENERGY: 1785600 3972.4927 20524.8255 14420.8681 262.2292 -203530.4184 2879.2266 0.0000 0.0000 52058.5710 -109412.2053 299.1813 -161470.7763 -109059.8106 298.7969 132.0582 158.5020 761504.7553 14.6729 14.6817 PRESSURE: 1785800 -299.837 76.2283 4.4164 76.2279 153.746 38.7877 4.41687 38.7863 149.665 GPRESSURE: 1785800 -249.53 102.073 9.169 16.4014 169.333 15.6041 -0.677088 8.4871 156.097 PRESSAVG: 1785800 -21.6334 -26.5915 7.07722 -26.5915 -30.8175 -21.0616 7.07719 -21.0616 17.0013 GPRESSAVG: 1785800 -22.2096 -26.0555 8.44316 -27.4783 -29.7921 -21.2601 5.53802 -19.8614 16.7302 TIMING: 1785800 CPU: 5646.44, 0.00315102/step Wall: 5646.44, 0.00315102/step, 2.81333 hours remaining, 235.394531 MB of memory in use. ENERGY: 1785800 3901.7472 20460.1767 14463.2476 237.4742 -203195.0464 2663.0521 0.0000 0.0000 52034.8060 -109434.5427 299.0447 -161469.3487 -109076.3848 299.1123 1.1913 25.3002 760340.1339 -11.8166 -11.7572 PRESSURE: 1786000 268.724 -94.4653 -86.6519 -94.4668 410.237 27.7145 -86.6516 27.7153 417.87 GPRESSURE: 1786000 356.843 -166.23 -135.293 -152.993 436.109 70.1974 0.224367 24.7859 396.573 PRESSAVG: 1786000 -35.6854 -23.0634 71.3925 -23.0634 6.53625 -3.61539 71.3925 -3.61538 -16.4206 GPRESSAVG: 1786000 -35.4753 -23.0629 70.5969 -22.7137 6.34084 -2.41632 72.6906 -2.8086 -15.7579 TIMING: 1786000 CPU: 5647.07, 0.00314407/step Wall: 5647.07, 0.00314407/step, 2.80695 hours remaining, 235.394531 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: 1786000 4070.1371 20335.5405 14575.6745 254.4432 -203691.5182 3000.2967 0.0000 0.0000 52018.2639 -109437.1623 298.9497 -161455.4262 -109072.7856 298.9161 365.6103 396.5083 760383.6859 -15.1899 -14.9641 PRESSURE: 1786200 281.852 170.148 6.62726 170.148 186.988 263.392 6.628 263.392 28.2375 GPRESSURE: 1786200 242.659 34.6819 -66.3027 188.743 273.031 265.155 -30.9219 262.76 55.4214 PRESSAVG: 1786200 29.7559 -11.9008 13.5918 -11.9008 -6.32558 19.2469 13.5918 19.2468 4.56861 GPRESSAVG: 1786200 30.0292 -14.2932 13.158 -13.9351 -6.80285 17.1297 13.8697 16.7984 4.39304 TIMING: 1786200 CPU: 5647.69, 0.00313918/step Wall: 5647.69, 0.00313918/step, 2.80241 hours remaining, 235.382812 MB of memory in use. ENERGY: 1786200 3989.5129 20533.9560 14497.1062 263.0167 -203715.5981 3098.3342 0.0000 0.0000 51918.1397 -109415.5325 298.3743 -161333.6722 -109053.9547 298.7602 165.6927 190.3705 762993.0280 9.3330 9.2065 PRESSURE: 1786400 -44.9719 -120.406 43.2734 -120.406 32.3526 -155.026 43.2736 -155.026 -192.368 GPRESSURE: 1786400 -48.3825 -66.8953 97.1704 -72.0207 52.0129 -93.506 24.8486 -81.5819 -116.451 PRESSAVG: 1786400 15.7324 23.5376 -15.1089 23.5376 5.18465 -24.5684 -15.109 -24.5684 -18.7875 GPRESSAVG: 1786400 15.0031 25.8925 -13.1816 25.2534 6.15795 -22.2531 -15.0808 -22.4512 -18.4811 TIMING: 1786400 CPU: 5648.32, 0.00315082/step Wall: 5648.32, 0.00315082/step, 2.81263 hours remaining, 235.394531 MB of memory in use. ENERGY: 1786400 4069.5033 20324.7063 14434.5612 234.4390 -203535.4587 2809.5740 0.0000 0.0000 52015.5733 -109647.1016 298.9342 -161662.6748 -109284.7799 298.2496 -68.3290 -37.6069 762249.9341 0.7098 0.8933 PRESSURE: 1786600 -182.308 149.959 -220.164 149.958 -140.236 -6.0914 -220.163 -6.09131 6.83204 GPRESSURE: 1786600 -108.219 105.411 -226.268 158.457 -118.584 3.37326 -111.873 11.5484 -1.3841 PRESSAVG: 1786600 12.7667 -21.5523 13.2817 -21.5523 -16.1026 10.8957 13.2817 10.8956 29.829 GPRESSAVG: 1786600 13.4706 -23.6302 10.4936 -22.6179 -16.1208 10.303 14.7307 9.59818 29.0058 TIMING: 1786600 CPU: 5648.95, 0.00314562/step Wall: 5648.95, 0.00314562/step, 2.80781 hours remaining, 235.394531 MB of memory in use. ENERGY: 1786600 3937.9376 20479.5681 14529.3065 245.4896 -203451.9160 2717.9259 0.0000 0.0000 51809.4122 -109732.2761 297.7494 -161541.6883 -109373.6077 297.8696 -105.2371 -76.0623 762066.7743 8.8310 8.7852 PRESSURE: 1786800 150.332 126.765 -3.63607 126.765 -159.193 -38.3345 -3.63631 -38.335 24.584 GPRESSURE: 1786800 204.553 40.4275 -22.9906 143.817 -99.7494 16.3466 35.3878 -83.1936 17.3027 PRESSAVG: 1786800 34 -2.98072 -2.21289 -2.98075 3.18174 -8.10257 -2.21285 -8.10264 3.51658 GPRESSAVG: 1786800 34.137 -1.91189 -1.72315 -0.676325 2.98516 -8.57052 -1.78845 -5.71662 3.43251 TIMING: 1786800 CPU: 5649.59, 0.00318007/step Wall: 5649.59, 0.00318007/step, 2.83839 hours remaining, 235.394531 MB of memory in use. ENERGY: 1786800 3904.9313 20559.6569 14476.6850 253.2040 -203511.1164 2866.0358 0.0000 0.0000 51847.4527 -109603.1508 297.9680 -161450.6034 -109241.5132 297.8961 5.2411 40.7021 763288.2761 13.5661 13.5182 PRESSURE: 1787000 -12.6379 151.099 108.41 151.099 -45.2419 -341.292 108.41 -341.291 -36.0559 GPRESSURE: 1787000 24.3264 221.206 159.113 193.487 -100.46 -381.144 127.226 -347.007 55.781 PRESSAVG: 1787000 45.3673 12.0238 24.6639 12.0237 -12.7676 -22.7768 24.6639 -22.7768 -21.0514 GPRESSAVG: 1787000 45.482 12.2786 24.9253 10.3967 -13.8847 -23.5637 24.6287 -24.2734 -19.9474 TIMING: 1787000 CPU: 5650.22, 0.00316892/step Wall: 5650.22, 0.00316892/step, 2.82826 hours remaining, 235.394531 MB of memory in use. ENERGY: 1787000 3987.3157 20567.9929 14463.5340 254.9505 -203271.7168 2705.7742 0.0000 0.0000 51735.7381 -109556.4114 297.3260 -161292.1495 -109195.5089 298.2156 -31.3119 -6.7842 763569.0612 3.8494 3.8833 PRESSURE: 1787200 213.715 -72.4559 257.46 -72.4555 -335.729 -96.393 257.461 -96.3941 -30.6339 GPRESSURE: 1787200 217.246 -145.05 314.974 60.092 -325.925 6.05777 139.216 -5.84316 19.5556 PRESSAVG: 1787200 -44.1959 27.6365 -7.36607 27.6365 49.5411 -55.1937 -7.36605 -55.1938 16.6112 GPRESSAVG: 1787200 -44.8887 25.7697 -5.76644 27.5 50.8114 -52.9025 -8.42084 -55.5065 15.7255 TIMING: 1787200 CPU: 5650.85, 0.0031569/step Wall: 5650.85, 0.0031569/step, 2.81736 hours remaining, 235.394531 MB of memory in use. ENERGY: 1787200 3980.1703 20438.7344 14492.2847 243.2853 -203536.8215 2688.1409 0.0000 0.0000 52273.4002 -109420.8057 300.4159 -161694.2059 -109061.0046 298.4108 -50.8826 -29.7078 760142.4577 7.3188 7.2161 PRESSURE: 1787400 250.222 226.206 252.416 226.206 132.198 -74.3587 252.416 -74.3595 112.791 GPRESSURE: 1787400 329.024 38.2422 200.732 254.183 132.559 -34.6819 245.785 -140.077 112.392 PRESSAVG: 1787400 0.66705 -15.2877 11.7638 -15.2878 -11.5625 -18.2532 11.7638 -18.2533 -19.2109 GPRESSAVG: 1787400 1.16619 -15.3409 12.2406 -13.1341 -11.6812 -19.1288 10.5489 -16.3222 -19.5063 TIMING: 1787400 CPU: 5651.49, 0.00315865/step Wall: 5651.49, 0.00315865/step, 2.81875 hours remaining, 235.394531 MB of memory in use. ENERGY: 1787400 3944.1391 20505.1535 14461.9817 251.3124 -203098.3803 2535.2022 0.0000 0.0000 51867.3146 -109533.2767 298.0822 -161400.5913 -109174.4573 298.4690 165.0706 191.3249 761870.0216 -10.0354 -10.0071 PRESSURE: 1787600 -183.435 52.4884 234.283 52.4884 -60.2632 104.841 234.284 104.842 -148.559 GPRESSURE: 1787600 -278.13 74.8391 220.593 204.623 63.2838 115.051 323.312 26.8251 -92.8953 PRESSAVG: 1787600 0.712528 -30.6915 -23.2841 -30.6915 26.2128 14.8745 -23.2841 14.8746 34.9273 GPRESSAVG: 1787600 2.18544 -29.926 -23.6525 -29.7174 25.5587 14.1273 -23.1811 12.9248 34.1708 TIMING: 1787600 CPU: 5652.11, 0.00314376/step Wall: 5652.11, 0.00314376/step, 2.80528 hours remaining, 235.394531 MB of memory in use. ENERGY: 1787600 3954.4278 20542.0371 14577.3945 251.8821 -203579.9143 2689.4427 0.0000 0.0000 51922.1243 -109642.6058 298.3972 -161564.7301 -109288.3949 298.6355 -130.7524 -102.5804 760539.5193 20.6175 20.6383 PRESSURE: 1787800 227.57 -47.4501 -309.699 -47.4489 239.848 357.511 -309.701 357.511 6.39374 GPRESSURE: 1787800 333.159 -97.1806 -373.579 -41.7921 233.945 305.504 -294.308 315.176 -10.2767 PRESSAVG: 1787800 -20.1406 -2.93106 15.5159 -2.93107 8.19225 -10.2672 15.5159 -10.2672 -16.3833 GPRESSAVG: 1787800 -21.2598 -4.15132 13.7898 -5.86494 8.14989 -11.7132 16.9398 -9.53793 -15.1628 TIMING: 1787800 CPU: 5652.74, 0.00314371/step Wall: 5652.74, 0.00314371/step, 2.80507 hours remaining, 235.394531 MB of memory in use. ENERGY: 1787800 3994.8441 20455.8596 14502.8743 236.0293 -203475.5027 2628.5292 0.0000 0.0000 52008.5206 -109648.8456 298.8937 -161657.3662 -109296.9845 298.6182 157.9375 185.6090 761930.3885 -9.4439 -9.4242 PRESSURE: 1788000 -37.4018 -110.769 83.7255 -110.77 -2.87827 -183.47 83.7254 -183.47 54.7285 GPRESSURE: 1788000 6.09473 -5.32146 95.3566 -160.19 12.7822 -200.26 3.76524 -213.186 62.7593 PRESSAVG: 1788000 -40.8056 -25.9414 -42.94 -25.9415 -39.0507 33.0903 -42.9401 33.0902 16.4688 GPRESSAVG: 1788000 -40.2799 -25.0667 -44.2344 -25.7652 -40.4333 33.148 -44.0251 34.2628 16.743 TIMING: 1788000 CPU: 5653.37, 0.00315495/step Wall: 5653.37, 0.00315495/step, 2.81492 hours remaining, 235.394531 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: 1788000 3997.3602 20416.8901 14503.4626 227.9185 -203311.3564 2808.8557 0.0000 0.0000 51949.8907 -109406.9787 298.5567 -161356.8694 -109039.3281 299.1156 4.8162 27.2121 762990.4999 -21.1292 -21.3234 PRESSURE: 1788200 100.245 -106.722 -148.78 -106.723 119.929 141.74 -148.78 141.74 87.1896 GPRESSURE: 1788200 84.5681 -32.4523 -194.569 63.6802 150.826 123.078 -170.96 232.079 152.841 PRESSAVG: 1788200 12.3945 -25.2903 -3.80528 -25.2904 32.9709 -8.72525 -3.80532 -8.72524 28.5861 GPRESSAVG: 1788200 11.66 -23.9674 -0.127535 -24.6884 33.9156 -7.03559 -5.76238 -7.39958 28.553 TIMING: 1788200 CPU: 5654.01, 0.0031573/step Wall: 5654.01, 0.0031573/step, 2.81684 hours remaining, 235.394531 MB of memory in use. ENERGY: 1788200 4030.8375 20553.5263 14427.4000 262.3431 -203368.5559 2700.7699 0.0000 0.0000 52044.8740 -109348.8051 299.1026 -161393.6791 -108982.8496 298.9449 102.4546 129.4117 762743.4197 24.6505 24.7095 LDB: ============= START OF LOAD BALANCING ============== 5666.54 LDB: ============== END OF LOAD BALANCING =============== 5666.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5666.54 LDB: ============= START OF LOAD BALANCING ============== 5666.86 LDB: Largest compute 7048 load 0.029876 is 15.3% of average load 0.195519 LDB: Average compute 0.004361 is 2.2% of average load 0.195519 LDB: TIME 5666.86 LOAD: AVG 0.195519 MAX 0.211706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.48 MB LDB: TIME 5666.86 LOAD: AVG 0.195519 MAX 0.211706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.551 MB LDB: TIME 5666.86 LOAD: AVG 0.195519 MAX 0.211706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.551 MB LDB: ============== END OF LOAD BALANCING =============== 5666.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5666.87 PRESSURE: 1788400 172.937 -44.8483 -147.758 -44.8481 218.434 -18.6556 -147.758 -18.6559 348.011 GPRESSURE: 1788400 256.199 -95.1056 -141.601 -70.3205 195.58 -108.23 -103.053 2.59816 361.314 PRESSAVG: 1788400 -13.3778 16.854 -9.72207 16.8539 3.30174 26.2629 -9.72203 26.2629 -3.40599 GPRESSAVG: 1788400 -13.5856 16.5795 -12.9322 16.2475 3.16282 24.3394 -9.73736 26.4241 -3.91741 TIMING: 1788400 CPU: 5654.65, 0.00322249/step Wall: 5654.65, 0.00322249/step, 2.87482 hours remaining, 235.960938 MB of memory in use. ENERGY: 1788400 3981.8914 20662.9120 14435.8811 235.7152 -203678.8255 3026.7318 0.0000 0.0000 52008.5977 -109327.0963 298.8941 -161335.6940 -108964.8846 299.5474 246.4606 271.0314 761006.1153 -4.4940 -4.7801 PRESSURE: 1788600 217.491 129.213 -0.289346 129.213 -254.724 -221.643 -0.290133 -221.645 185.308 GPRESSURE: 1788600 218.189 77.6056 53.4481 143.403 -182.167 -202.518 -44.1611 -108.63 201.703 PRESSAVG: 1788600 17.8813 -8.46218 36.3616 -8.46213 -14.523 -39.7413 36.3616 -39.7413 32.168 GPRESSAVG: 1788600 17.4294 -9.82931 37.2496 -6.98548 -14.0559 -37.4872 38.6012 -43.4155 32.0459 TIMING: 1788600 CPU: 5655.28, 0.0031515/step Wall: 5655.28, 0.0031515/step, 2.81131 hours remaining, 236.164062 MB of memory in use. ENERGY: 1788600 4041.3845 20537.4288 14391.3641 243.5205 -203263.5077 2645.7088 0.0000 0.0000 52006.0395 -109398.0615 298.8794 -161404.1010 -109034.4498 298.8166 49.3584 79.2419 761518.3153 11.8421 11.8065 PRESSURE: 1788800 -171.835 -176.677 22.0343 -176.676 -386.771 47.6431 22.034 47.643 260.46 GPRESSURE: 1788800 -120.628 -69.6044 69.7962 -69.7424 -313.531 78.3045 -54.0938 44.5858 226.816 PRESSAVG: 1788800 3.15709 30.5681 -3.53813 30.5681 -41.8518 -9.15593 -3.53807 -9.15588 12.2655 GPRESSAVG: 1788800 4.08832 30.9987 -2.52751 30.5493 -42.8044 -9.88008 -4.51155 -7.8185 12.2837 TIMING: 1788800 CPU: 5655.91, 0.00315736/step Wall: 5655.91, 0.00315736/step, 2.81636 hours remaining, 236.164062 MB of memory in use. ENERGY: 1788800 3949.7713 20557.6304 14482.8463 256.2171 -203582.3910 2791.5890 0.0000 0.0000 52258.5767 -109285.7601 300.3308 -161544.3369 -108918.5638 299.1601 -99.3822 -69.1144 761660.5652 -8.8098 -8.8108 PRESSURE: 1789000 -91.4605 23.5542 271.896 23.5542 -80.4206 249.147 271.896 249.146 -38.1088 GPRESSURE: 1789000 -210.597 23.2336 323.107 7.17167 -49.732 206.475 231.895 108.155 134.303 PRESSAVG: 1789000 -7.04282 19.118 29.2326 19.1181 29.1431 5.17537 29.2326 5.17541 3.95721 GPRESSAVG: 1789000 -7.79817 21.1882 26.9504 15.948 29.8314 5.27429 30.2896 5.27192 4.31512 TIMING: 1789000 CPU: 5656.54, 0.00316185/step Wall: 5656.54, 0.00316185/step, 2.82019 hours remaining, 236.164062 MB of memory in use. ENERGY: 1789000 4010.7876 20610.4402 14469.2796 263.8345 -203158.2721 2685.7782 0.0000 0.0000 52067.7471 -109050.4048 299.2341 -161118.1520 -108708.4026 299.5692 -69.9966 -42.0087 763267.8969 8.6858 8.7828 PRESSURE: 1789200 126.313 -432.531 -53.3943 -432.532 168.506 -70.826 -53.3932 -70.8254 -202.235 GPRESSURE: 1789200 191.657 -365.787 -53.1348 -299.9 162.553 -81.1538 -35.2847 -153.566 -180.206 PRESSAVG: 1789200 3.14882 2.64154 5.72856 2.64158 -0.535849 -27.1699 5.72858 -27.1699 -0.786175 GPRESSAVG: 1789200 4.13668 1.66579 6.86795 6.99528 -1.9367 -27.4047 4.09614 -27.1911 -0.727497 TIMING: 1789200 CPU: 5657.17, 0.00315323/step Wall: 5657.17, 0.00315323/step, 2.81234 hours remaining, 236.164062 MB of memory in use. ENERGY: 1789200 3952.1948 20618.9002 14475.7091 254.2400 -203257.9069 2776.9335 0.0000 0.0000 51980.1611 -109199.7681 298.7307 -161179.9292 -108833.7813 299.3839 30.8614 58.0013 763282.8927 0.6089 0.4908 PRESSURE: 1789400 120.347 3.01981 137.025 3.01989 11.508 -107.453 137.024 -107.452 -167.652 GPRESSURE: 1789400 169.795 -100.231 143.805 -99.8923 -9.74887 -108.848 128.387 -101.437 -135.93 PRESSAVG: 1789400 34.1431 -64.6503 -17.8835 -64.6502 7.44571 -23.1597 -17.8835 -23.1597 -1.31838 GPRESSAVG: 1789400 34.6126 -64.8888 -17.5453 -65.3831 7.78928 -21.4254 -18.1233 -23.0564 -1.95251 TIMING: 1789400 CPU: 5657.8, 0.003149/step Wall: 5657.8, 0.003149/step, 2.80838 hours remaining, 236.164062 MB of memory in use. ENERGY: 1789400 3982.7734 20587.8853 14498.1179 242.6613 -203012.0403 2498.3504 0.0000 0.0000 52077.3288 -109124.9232 299.2891 -161202.2520 -108755.9832 299.7260 -11.9324 8.0389 762285.1216 13.4235 13.4831 PRESSURE: 1789600 -182.752 -29.5539 90.0926 -29.5539 -342.393 179.403 90.0927 179.402 124.154 GPRESSURE: 1789600 -102.596 108.315 -10.4065 -151.504 -289.624 151.523 182.092 102.238 74.2423 PRESSAVG: 1789600 33.1788 -41.585 -5.51896 -41.585 -43.1822 30.4728 -5.51902 30.4728 -15.9914 GPRESSAVG: 1789600 32.6172 -41.6649 -5.97178 -42.7349 -42.4424 28.2205 -3.60722 28.4773 -16.0492 TIMING: 1789600 CPU: 5658.43, 0.00315213/step Wall: 5658.43, 0.00315213/step, 2.811 hours remaining, 236.164062 MB of memory in use. ENERGY: 1789600 3951.0828 20656.1541 14427.6397 244.2075 -202891.0640 2587.7768 0.0000 0.0000 52053.6130 -108970.5900 299.1528 -161024.2030 -108615.5121 300.1124 -133.6634 -105.9925 762922.6712 -8.6649 -8.6248 PRESSURE: 1789800 132.107 -52.0755 -190.108 -52.0763 121.358 222.32 -190.109 222.321 54.1666 GPRESSURE: 1789800 268.795 -88.5086 -157.963 8.01526 63.4556 266.595 -13.817 138.701 42.2527 PRESSAVG: 1789800 2.13861 -42.3418 -40.528 -42.3418 30.2512 -10.0566 -40.528 -10.0566 12.1085 GPRESSAVG: 1789800 1.4854 -43.1584 -41.4045 -44.1882 29.5945 -7.91075 -40.8877 -9.30776 13.048 TIMING: 1789800 CPU: 5659.06, 0.00313561/step Wall: 5659.06, 0.00313561/step, 2.79609 hours remaining, 236.164062 MB of memory in use. ENERGY: 1789800 3956.2059 20529.7075 14469.6422 242.5119 -203011.4554 2439.0562 0.0000 0.0000 52325.5765 -109048.7552 300.7158 -161374.3317 -108684.7749 300.1039 102.5437 124.8346 759367.1662 14.8328 14.7093 PRESSURE: 1790000 38.4686 131.187 -102.869 131.187 205.057 68.9926 -102.869 68.993 232.691 GPRESSURE: 1790000 60.8568 35.0307 -145.108 88.7594 218.893 108.184 -81.2441 -20.1405 265.127 PRESSAVG: 1790000 23.4987 -76.6762 -31.2937 -76.6762 6.90346 14.0093 -31.2937 14.0093 -9.81711 GPRESSAVG: 1790000 22.6126 -76.4036 -30.5552 -75.9217 5.77214 14.8819 -32.7984 13.9359 -9.21086 TIMING: 1790000 CPU: 5659.69, 0.00312936/step Wall: 5659.69, 0.00312936/step, 2.79034 hours remaining, 236.164062 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: 1790000 3991.0524 20521.6411 14506.7774 258.3560 -203285.6265 2767.7479 0.0000 0.0000 52180.4342 -109059.6175 299.8817 -161240.0517 -108696.1007 299.7329 158.7391 181.6258 758472.5344 6.8617 6.3913 PRESSURE: 1790200 306.399 -245.674 -43.8249 -245.676 -278.847 -215.463 -43.826 -215.463 -452.646 GPRESSURE: 1790200 316.891 -324.341 -17.6351 -266.173 -191.748 -261.902 -55.6074 -75.9346 -462.509 PRESSAVG: 1790200 29.3292 -94.3307 43.8603 -94.3308 -17.1529 -47.8062 43.8603 -47.8063 -22.019 GPRESSAVG: 1790200 30.1422 -94.5098 44.0107 -93.8702 -16.3394 -48.5823 42.8239 -45.7944 -23.4946 TIMING: 1790200 CPU: 5660.32, 0.0031413/step Wall: 5660.32, 0.0031413/step, 2.80082 hours remaining, 236.164062 MB of memory in use. ENERGY: 1790200 4018.1078 20363.7133 14441.7514 236.7930 -203142.6733 2751.0155 0.0000 0.0000 52325.9683 -109005.3239 300.7181 -161331.2922 -108630.3966 299.4455 -141.6980 -112.4554 761807.1345 -3.2809 -3.2306 PRESSURE: 1790400 -60.7738 154.509 189.308 154.509 -83.249 -382.48 189.308 -382.481 -299.907 GPRESSURE: 1790400 -14.8479 94.2959 117.269 150.511 -21.017 -445.206 267.504 -432.466 -318.326 PRESSAVG: 1790400 43.8001 -104.525 22.8366 -104.525 -16.2156 3.15968 22.8366 3.15967 -11.0715 GPRESSAVG: 1790400 42.8967 -104.625 21.7848 -104.209 -16.4267 2.78386 24.7548 1.96289 -9.47055 TIMING: 1790400 CPU: 5660.94, 0.00313724/step Wall: 5660.94, 0.00313724/step, 2.79702 hours remaining, 236.164062 MB of memory in use. ENERGY: 1790400 3939.2654 20375.1600 14543.6952 246.3409 -202821.8221 2543.0800 0.0000 0.0000 52044.0373 -109130.2433 299.0978 -161174.2806 -108762.6978 299.6493 -147.9765 -118.0635 762679.7794 5.5043 5.6665 PRESSURE: 1790600 104.751 208.812 -14.4786 208.812 -51.2605 122.112 -14.4779 122.111 673.111 GPRESSURE: 1790600 71.9674 148.328 46.2803 183.62 -1.6382 38.4091 77.8485 121.812 726.33 PRESSAVG: 1790600 -16.7361 -38.0938 33.1903 -38.0938 3.28417 -4.71314 33.1903 -4.71313 -15.8486 GPRESSAVG: 1790600 -17.5998 -35.6201 34.1025 -38.5845 5.15174 -6.86299 32.7021 -3.23439 -17.166 TIMING: 1790600 CPU: 5661.57, 0.00313895/step Wall: 5661.57, 0.00313895/step, 2.79837 hours remaining, 236.164062 MB of memory in use. ENERGY: 1790600 3978.6115 20609.7068 14519.1391 248.7183 -203506.7072 3119.4136 0.0000 0.0000 52010.4988 -109020.6192 298.9051 -161031.1180 -108661.7185 299.3948 242.2006 265.5529 760733.3193 -9.7668 -9.8714 PRESSURE: 1790800 89.7684 13.8646 -8.9018 13.8653 -141.373 46.383 -8.90165 46.3835 119.362 GPRESSURE: 1790800 177.296 3.93672 -54.8332 -53.0935 -216.519 68.0306 -106.328 55.2851 198.839 PRESSAVG: 1790800 46.1263 -21.5848 11.3254 -21.5848 -26.3283 -30.3841 11.3253 -30.384 28.4692 GPRESSAVG: 1790800 47.3854 -22.3753 10.9591 -22.768 -27.2136 -28.3806 9.06209 -31.3258 28.7829 TIMING: 1790800 CPU: 5662.21, 0.00318285/step Wall: 5662.21, 0.00318284/step, 2.83733 hours remaining, 236.164062 MB of memory in use. ENERGY: 1790800 4012.6872 20524.8675 14500.7488 234.6167 -203112.4063 2833.0412 0.0000 0.0000 52391.8293 -108614.6156 301.0966 -161006.4449 -108252.8151 300.6726 22.5859 53.2052 762488.6550 16.0891 16.3182 PRESSURE: 1791000 -29.7153 -35.4993 202.508 -35.5 -431.869 74.4152 202.507 74.4156 -516.517 GPRESSURE: 1791000 -68.686 52.7811 275.718 -104.036 -396.83 61.9464 245.677 25.3833 -419.808 PRESSAVG: 1791000 37.8093 -64.7457 27.5576 -64.7457 11.7621 7.49722 27.5576 7.49718 -10.5099 GPRESSAVG: 1791000 38.6175 -65.6455 28.9585 -63.363 10.8396 6.23661 28.7756 9.83707 -10.2669 TIMING: 1791000 CPU: 5662.84, 0.0031624/step Wall: 5662.84, 0.0031624/step, 2.81893 hours remaining, 236.164062 MB of memory in use. ENERGY: 1791000 4081.5295 20617.3038 14493.6791 247.9257 -202833.9484 2431.8758 0.0000 0.0000 52194.8662 -108766.7681 299.9646 -160961.6343 -108407.2713 300.6915 -326.0338 -295.1079 763466.5729 13.0205 13.0634 PRESSURE: 1791200 183.542 -115.524 25.2421 -115.524 14.9932 130.986 25.2412 130.986 30.301 GPRESSURE: 1791200 220.627 -132.501 -13.8243 -53.0015 -20.875 122.37 -32.6936 39.1189 117.156 PRESSAVG: 1791200 65.086 -39.1674 33.0274 -39.1673 -58.3518 29.7534 33.0273 29.7534 23.4455 GPRESSAVG: 1791200 63.7343 -40.0182 32.0717 -39.6904 -57.4215 28.7926 34.5632 26.2406 23.9871 TIMING: 1791200 CPU: 5663.47, 0.00316492/step Wall: 5663.47, 0.00316492/step, 2.82099 hours remaining, 236.164062 MB of memory in use. ENERGY: 1791200 3958.9140 20516.1049 14561.6473 222.3433 -203325.7125 2744.8228 0.0000 0.0000 52361.2202 -108960.6601 300.9207 -161321.8803 -108596.6921 300.3132 76.2786 105.6359 762000.7796 10.0599 10.1000 PRESSURE: 1791400 344.473 -118.963 43.4245 -118.964 -20.8828 -112.554 43.4244 -112.555 -235.233 GPRESSURE: 1791400 410.486 -77.0115 81.0826 -155.702 17.7919 -124.165 11.3336 -105.641 -256.966 PRESSAVG: 1791400 13.9969 -91.444 48.6936 -91.444 -51.8187 13.5544 48.6937 13.5545 20.114 GPRESSAVG: 1791400 14.3366 -91.8982 48.6589 -90.7543 -50.9491 14.3651 47.3314 13.6926 18.9289 TIMING: 1791400 CPU: 5664.11, 0.00317076/step Wall: 5664.11, 0.00317076/step, 2.82603 hours remaining, 236.164062 MB of memory in use. ENERGY: 1791400 3935.4213 20330.3282 14445.3777 238.0969 -203030.6963 2517.0467 0.0000 0.0000 52319.9471 -109244.4784 300.6835 -161564.4255 -108883.4626 299.7768 29.4523 57.1040 761448.1142 -5.9026 -5.8945 PRESSURE: 1791600 99.1699 -206.688 -88.9033 -206.688 -37.742 -56.043 -88.9037 -56.0424 -66.7616 GPRESSURE: 1791600 115.501 -309.841 -132.554 -341.763 89.289 -169.594 16.8804 40.8801 -130.749 PRESSAVG: 1791600 37.7201 -37.4499 49.035 -37.4498 -55.9607 32.2392 49.0351 32.2391 -19.9107 GPRESSAVG: 1791600 36.4998 -37.2482 48.4112 -37.7568 -56.1856 32.3103 47.2519 32.6541 -18.3017 TIMING: 1791600 CPU: 5664.74, 0.00316026/step Wall: 5664.74, 0.00316026/step, 2.81649 hours remaining, 236.164062 MB of memory in use. ENERGY: 1791600 3957.4720 20407.3584 14477.2170 247.5256 -203304.6363 2876.4963 0.0000 0.0000 52258.0552 -109080.5118 300.3278 -161338.5670 -108719.5920 299.3090 -1.7779 24.6802 762482.2163 -12.7171 -12.6625 PRESSURE: 1791800 120.013 -168.786 164.01 -168.785 -3.75448 73.6932 164.01 73.6941 178.721 GPRESSURE: 1791800 -10.3715 -45.0284 45.7191 -67.443 79.8564 69.8861 153.342 47.2274 310.718 PRESSAVG: 1791800 60.1427 -17.3576 -20.1429 -17.3576 -23.8861 -26.8109 -20.1429 -26.8109 19.2891 GPRESSAVG: 1791800 60.9668 -16.3026 -19.027 -17.7657 -24.191 -25.4684 -18.5731 -26.9824 18.4488 TIMING: 1791800 CPU: 5665.37, 0.00315136/step Wall: 5665.37, 0.00315136/step, 2.80839 hours remaining, 236.164062 MB of memory in use. ENERGY: 1791800 4011.2004 20619.0704 14457.4513 249.9567 -203362.7159 3096.5712 0.0000 0.0000 51838.9938 -109089.4723 297.9194 -160928.4660 -108737.2467 299.4902 98.3264 126.7342 762192.3091 18.5153 18.4082 PRESSURE: 1792000 -46.9478 -162.156 16.0459 -162.156 -279.717 -153.495 16.0465 -153.494 14.79 GPRESSURE: 1792000 7.58637 -181.121 -46.0374 -66.5221 -307.986 -133.961 46.4944 -105.912 96.1848 PRESSAVG: 1792000 -14.3631 -0.679481 3.38931 -0.67949 -44.9438 -31.5437 3.38932 -31.5437 -18.2964 GPRESSAVG: 1792000 -13.6857 -1.38552 3.19682 0.648668 -46.6622 -30.44 4.35668 -32.3804 -17.7508 TIMING: 1792000 CPU: 5666, 0.00316494/step Wall: 5666, 0.00316494/step, 2.82032 hours remaining, 236.164062 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: 1792000 4016.4633 20340.8064 14500.5558 249.9751 -203293.4610 3017.0293 0.0000 0.0000 51929.2936 -109239.3375 298.4384 -161168.6312 -108874.5031 299.3244 -103.9581 -68.0715 763133.3880 -25.8678 -26.0329 PRESSURE: 1792200 33.5679 -4.01806 -121.772 -4.0192 -166.225 160.088 -121.772 160.088 -513.561 GPRESSURE: 1792200 40.3753 132.916 -44.1219 5.25496 -84.6278 78.3716 -161.822 171.241 -505.845 PRESSAVG: 1792200 18.8101 9.15955 39.1461 9.1595 -40.5052 14.5729 39.1461 14.5729 -5.483 GPRESSAVG: 1792200 18.3887 8.7051 41.378 8.14633 -39.4768 13.2228 37.0405 16.9342 -5.99714 TIMING: 1792200 CPU: 5666.63, 0.00315811/step Wall: 5666.63, 0.00315811/step, 2.81405 hours remaining, 236.164062 MB of memory in use. ENERGY: 1792200 3958.4630 20519.5709 14520.2099 248.8866 -202920.7026 2417.3777 0.0000 0.0000 51974.9256 -109281.2689 298.7006 -161256.1945 -108929.2840 299.1105 -215.4061 -183.3659 762506.3344 -9.0593 -9.0284 LDB: ============= START OF LOAD BALANCING ============== 5679.17 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5679.17 LDB: =============== DONE WITH MIGRATION ================ 5679.17 LDB: ============= START OF LOAD BALANCING ============== 5679.49 LDB: Largest compute 7049 load 0.031976 is 16.4% of average load 0.195448 LDB: Average compute 0.004377 is 2.2% of average load 0.195448 LDB: TIME 5679.49 LOAD: AVG 0.195448 MAX 0.215042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.316 MB LDB: TIME 5679.49 LOAD: AVG 0.195448 MAX 0.215042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.316 MB LDB: TIME 5679.49 LOAD: AVG 0.195448 MAX 0.215042 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.316 MB LDB: ============== END OF LOAD BALANCING =============== 5679.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5679.5 PRESSURE: 1792400 97.2037 -125.314 -83.9721 -125.314 -101.802 -261.003 -83.9718 -261.003 119.726 GPRESSURE: 1792400 176.02 -28.8547 -87.0903 -102.748 -72.9828 -259.505 -176.037 -156.702 95.6245 PRESSAVG: 1792400 7.66397 -44.5251 -45.1869 -44.5251 -14.8688 44.2444 -45.1869 44.2444 -9.6636 GPRESSAVG: 1792400 6.09942 -42.4229 -46.673 -43.3477 -13.3881 45.1766 -47.5555 43.662 -9.65101 TIMING: 1792400 CPU: 5667.28, 0.00324117/step Wall: 5667.28, 0.00324117/step, 2.88788 hours remaining, 235.250000 MB of memory in use. ENERGY: 1792400 3922.9088 20449.0009 14404.7581 270.5313 -203266.5530 2743.3844 0.0000 0.0000 52019.6924 -109456.2771 298.9579 -161475.9695 -109098.7840 298.9884 38.3756 66.2207 762379.2712 -5.6228 -5.6466 PRESSURE: 1792600 539.054 -208.345 171.522 -208.345 -75.8147 -146.781 171.522 -146.78 -372.747 GPRESSURE: 1792600 557.303 -270.767 227.883 -223.574 -8.51318 -130.042 185.534 -170.542 -365.675 PRESSAVG: 1792600 50.9041 -58.7392 -23.7307 -58.7391 -15.2735 30.0582 -23.7306 30.0583 -2.27564 GPRESSAVG: 1792600 50.5663 -61.1955 -23.8443 -57.9694 -15.5791 29.209 -20.988 30.5473 -1.93512 TIMING: 1792600 CPU: 5667.92, 0.00316155/step Wall: 5667.92, 0.00316155/step, 2.81677 hours remaining, 235.656250 MB of memory in use. ENERGY: 1792600 4038.5262 20522.5110 14399.5955 241.3492 -203836.9384 3028.6339 0.0000 0.0000 52395.5468 -109210.7758 301.1179 -161606.3226 -108858.4798 298.7922 30.1641 61.0384 760813.7064 11.1183 11.0174 PRESSURE: 1792800 2.64897 -16.2569 49.9967 -16.2575 -8.83485 354.335 49.9967 354.336 249.871 GPRESSURE: 1792800 53.1539 -22.4489 48.4024 -145.854 76.1936 452.611 78.3886 289.217 207.115 PRESSAVG: 1792800 -50.5184 -15.992 -9.81041 -15.992 16.4629 -10.3176 -9.81049 -10.3176 -12.6832 GPRESSAVG: 1792800 -48.3352 -12.2916 -9.44479 -19.1772 15.2722 -10.0976 -9.57356 -11.5611 -12.9664 TIMING: 1792800 CPU: 5668.55, 0.00316342/step Wall: 5668.55, 0.00316342/step, 2.81826 hours remaining, 235.656250 MB of memory in use. ENERGY: 1792800 4029.3950 20519.1581 14486.3112 230.4704 -203118.5009 2576.8825 0.0000 0.0000 52099.6965 -109176.5871 299.4177 -161276.2836 -108808.6337 299.1482 81.2282 112.1541 762377.5478 -15.5796 -15.3431 PRESSURE: 1793000 44.7417 178.455 -116.219 178.455 208.269 185.853 -116.22 185.853 -46.535 GPRESSURE: 1793000 43.9772 53.9552 -122.867 119.36 254.013 89.1376 -114.581 198.107 3.46101 PRESSAVG: 1793000 64.9165 -37.0253 -20.2868 -37.0254 -54.1129 -12.2563 -20.2868 -12.2564 19.2829 GPRESSAVG: 1793000 64.4071 -40.8245 -20.7524 -36.1525 -54.3458 -11.6659 -19.7528 -10.909 19.5994 TIMING: 1793000 CPU: 5669.18, 0.00316294/step Wall: 5669.18, 0.00316294/step, 2.81765 hours remaining, 235.656250 MB of memory in use. ENERGY: 1793000 3997.8934 20440.9028 14532.9162 257.5996 -203192.6218 2666.3075 0.0000 0.0000 51739.5983 -109557.4040 297.3482 -161297.0023 -109196.8890 298.8923 68.8254 100.4837 761050.4710 10.0288 9.8869 PRESSURE: 1793200 82.2563 -86.3792 -184.182 -86.38 -108.951 -32.7335 -184.181 -32.733 13.1504 GPRESSURE: 1793200 107.747 28.6219 -110.993 -69.8865 -16.2781 21.7249 -153.682 -74.0738 -10.4952 PRESSAVG: 1793200 2.41235 -37.3418 5.50823 -37.3419 89.9091 -15.9483 5.50825 -15.9483 -16.3271 GPRESSAVG: 1793200 0.83951 -36.1381 5.8699 -36.5686 91.3376 -16.5935 6.09794 -17.6412 -16.5011 TIMING: 1793200 CPU: 5669.81, 0.0031552/step Wall: 5669.81, 0.0031552/step, 2.81058 hours remaining, 235.656250 MB of memory in use. ENERGY: 1793200 3954.3822 20564.5862 14445.6061 245.5432 -203344.0839 2639.3980 0.0000 0.0000 51810.8678 -109683.7004 297.7578 -161494.5682 -109321.4586 298.4793 -4.5146 26.9913 760011.3404 25.3314 25.2253 PRESSURE: 1793400 -47.9451 -294.066 45.4368 -294.065 -501.014 116.694 45.4369 116.694 -231.389 GPRESSURE: 1793400 3.00161 -239.698 112.319 -337.762 -444.393 80.4372 -9.27381 6.12669 -247.9 PRESSAVG: 1793400 0.58712 -45.0109 28.6026 -45.0109 19.4582 27.2245 28.6025 27.2245 -23.8258 GPRESSAVG: 1793400 1.21361 -43.2924 28.5441 -44.2147 17.8372 26.1332 28.9222 27.5198 -23.1587 TIMING: 1793400 CPU: 5670.45, 0.00316825/step Wall: 5670.45, 0.00316825/step, 2.82203 hours remaining, 235.656250 MB of memory in use. ENERGY: 1793400 3989.0616 20539.7687 14469.1851 256.3127 -203419.6679 2541.1236 0.0000 0.0000 52275.8554 -109348.3609 300.4301 -161624.2162 -108970.4546 298.9667 -260.1160 -229.7638 762008.7818 -1.2601 -1.3693 PRESSURE: 1793600 -270.96 -84.6279 -144.275 -84.6273 -61.9386 65.052 -144.275 65.0509 66.7585 GPRESSURE: 1793600 -218.479 -12.9917 -162.213 -102.158 -21.6454 58.4224 -185.483 124.16 59.6691 PRESSAVG: 1793600 11.176 15.3223 21.874 15.3223 -37.2445 20.0101 21.874 20.0101 -4.66513 GPRESSAVG: 1793600 11.9932 15.2519 22.0177 13.163 -36.7311 23.1913 19.4149 21.1947 -5.80273 TIMING: 1793600 CPU: 5671.08, 0.00315957/step Wall: 5671.08, 0.00315957/step, 2.81412 hours remaining, 235.656250 MB of memory in use. ENERGY: 1793600 4019.2788 20601.2359 14455.0079 260.9670 -203093.5728 2476.5738 0.0000 0.0000 51993.4556 -109287.0537 298.8071 -161280.5093 -108919.8915 299.4724 -88.7133 -60.1519 761655.1164 -10.2446 -10.1802 PRESSURE: 1793800 -301.36 -199.108 53.4775 -199.107 -36.5583 11.0496 53.4767 11.0494 326.949 GPRESSURE: 1793800 -252.688 -138.271 22.0955 -112.429 90.3074 -39.4588 45.1243 113.719 238.171 PRESSAVG: 1793800 46.8717 -3.2176 -24.3374 -3.21758 -4.57793 26.7713 -24.3374 26.7713 25.1075 GPRESSAVG: 1793800 45.9531 -3.45243 -24.6116 -1.10831 -3.67457 23.4716 -22.0301 27.513 25.7437 TIMING: 1793800 CPU: 5671.71, 0.0031519/step Wall: 5671.71, 0.0031519/step, 2.80712 hours remaining, 235.847656 MB of memory in use. ENERGY: 1793800 4001.5455 20547.9896 14488.3475 260.5870 -203435.6288 2696.6013 0.0000 0.0000 51990.6050 -109449.9529 298.7907 -161440.5579 -109087.9482 298.9936 -3.6564 25.2635 761838.4189 22.4671 22.6741 PRESSURE: 1794000 -95.5534 130.903 77.9293 130.903 42.4714 -111.971 77.9296 -111.971 22.8476 GPRESSURE: 1794000 -53.9833 95.0449 55.8843 43.5433 41.407 -106.038 60.7717 41.4261 60.9124 PRESSAVG: 1794000 7.87097 -46.8018 -21.6948 -46.8018 -40.6223 33.2454 -21.6949 33.2455 17.4153 GPRESSAVG: 1794000 7.26939 -49.2217 -19.8662 -46.7144 -40.4317 34.4665 -22.0151 32.9523 17.4408 TIMING: 1794000 CPU: 5672.34, 0.00316381/step Wall: 5672.34, 0.00316381/step, 2.81755 hours remaining, 235.847656 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: 1794000 4030.8168 20555.1547 14410.1163 240.8730 -203566.1235 2624.7023 0.0000 0.0000 52092.2557 -109612.2047 299.3749 -161704.4604 -109251.9558 298.3809 -10.0782 16.1120 760394.3770 -5.1120 -5.2405 PRESSURE: 1794200 117.802 41.4945 -4.59766 41.4946 21.7406 159.162 -4.59764 159.163 196.715 GPRESSURE: 1794200 261.819 50.341 -9.10673 -43.8319 -8.55217 221.095 -21.705 106.351 167.252 PRESSAVG: 1794200 -27.8383 5.77528 51.3486 5.77525 38.3302 -3.84184 51.3486 -3.84183 -8.32861 GPRESSAVG: 1794200 -26.378 8.21845 48.6602 3.84697 37.3693 -2.80967 51.4673 -4.42952 -8.63973 TIMING: 1794200 CPU: 5672.97, 0.00316175/step Wall: 5672.97, 0.00316175/step, 2.81554 hours remaining, 235.859375 MB of memory in use. ENERGY: 1794200 3969.7041 20500.1311 14475.3382 231.3787 -203290.8760 2630.8940 0.0000 0.0000 51888.7789 -109594.6510 298.2055 -161483.4299 -109222.6253 298.7728 112.0860 140.1731 761783.0510 0.7211 0.7838 PRESSURE: 1794400 19.0238 113.202 7.74418 113.202 -99.5666 144.862 7.74416 144.862 -170.711 GPRESSURE: 1794400 91.233 24.8761 -2.96689 103.906 -108.097 1.68889 7.98045 74.24 -143.163 PRESSAVG: 1794400 23.332 3.32337 25.0701 3.32339 -14.1814 12.6896 25.0701 12.6896 -14.3744 GPRESSAVG: 1794400 21.6399 1.50008 27.3741 4.45241 -12.9868 12.2302 25.3754 10.5921 -13.9567 TIMING: 1794400 CPU: 5673.6, 0.00316084/step Wall: 5673.6, 0.00316084/step, 2.81455 hours remaining, 235.859375 MB of memory in use. ENERGY: 1794400 3946.3098 20332.2524 14485.9108 247.0709 -202978.9003 2280.3392 0.0000 0.0000 52237.7169 -109449.3003 300.2109 -161687.0172 -109079.8838 299.0416 -83.7514 -53.3422 761806.2343 -1.7413 -1.7679 PRESSURE: 1794600 -202.312 5.38803 45.9929 5.38742 -263.518 94.9549 45.9932 94.9552 155.725 GPRESSURE: 1794600 -162.509 18.8002 6.63361 -34.1709 -175.104 167.552 27.6207 44.2429 117.288 PRESSAVG: 1794600 -42.2591 -6.17601 15.4144 -6.17603 56.5806 34.3654 15.4145 34.3654 18.8232 GPRESSAVG: 1794600 -40.8105 -5.88057 13.5907 -4.98605 57.1592 36.0376 13.7749 33.6798 16.824 TIMING: 1794600 CPU: 5674.23, 0.00315135/step Wall: 5674.23, 0.00315135/step, 2.80593 hours remaining, 235.859375 MB of memory in use. ENERGY: 1794600 3980.2037 20425.7262 14428.4625 254.7403 -203202.7798 2556.8672 0.0000 0.0000 52251.6545 -109305.1254 300.2910 -161556.7799 -108944.3935 299.2780 -103.3684 -73.4418 760603.3522 11.0482 11.0576 PRESSURE: 1794800 -186.994 -269.711 -51.7838 -269.709 -99.6422 2.05486 -51.7837 2.05522 13.8129 GPRESSURE: 1794800 -121.984 -48.83 22.3558 -231.657 -88.759 23.3224 -197.928 -16.3896 15.5344 PRESSAVG: 1794800 -45.2361 -56.5749 -17.2869 -56.5748 28.2415 -38.6283 -17.2869 -38.6283 3.94498 GPRESSAVG: 1794800 -45.8803 -55.8048 -16.9162 -58.9123 27.7407 -40.9503 -16.8035 -33.9264 5.30106 TIMING: 1794800 CPU: 5674.87, 0.00316522/step Wall: 5674.87, 0.00316522/step, 2.8181 hours remaining, 235.859375 MB of memory in use. ENERGY: 1794800 4017.7026 20608.5333 14451.6246 234.5234 -203494.9534 2582.7041 0.0000 0.0000 52238.3111 -109361.5542 300.2143 -161599.8653 -109000.0377 299.4013 -90.9411 -65.0696 761597.2766 -4.3499 -4.2795 PRESSURE: 1795000 -116.457 351.852 -17.7997 351.852 -167.968 -126.955 -17.7995 -126.955 -173.423 GPRESSURE: 1795000 -58.3074 191.721 3.10738 324.782 -111.866 -77.8093 -2.89124 -227.225 -207.062 PRESSAVG: 1795000 -17.6972 2.68144 22.3105 2.68149 21.4528 27.4015 22.3105 27.4015 7.46698 GPRESSAVG: 1795000 -17.6659 0.895391 20.6373 3.65243 20.8207 26.6969 23.7648 26.0155 7.86504 TIMING: 1795000 CPU: 5675.5, 0.00316699/step Wall: 5675.5, 0.00316699/step, 2.8195 hours remaining, 235.859375 MB of memory in use. ENERGY: 1795000 3933.5740 20480.3320 14466.2475 249.4924 -203463.9271 2821.1063 0.0000 0.0000 52029.7405 -109483.4344 299.0156 -161513.1749 -109117.5856 299.3716 -152.6163 -125.7452 762398.3453 3.7409 3.6733 PRESSURE: 1795200 644.264 80.6894 134.911 80.6893 -298.276 15.7155 134.911 15.7153 39.682 GPRESSURE: 1795200 685.378 36.3098 148.826 109.926 -211.222 81.9085 50.0173 -38.3107 -7.93876 PRESSAVG: 1795200 9.88178 7.19827 -30.5523 7.19831 6.42928 -33.5539 -30.5524 -33.554 -1.57069 GPRESSAVG: 1795200 8.9512 8.53194 -27.3171 6.03259 7.31611 -33.4684 -35.3477 -33.8462 -1.80635 TIMING: 1795200 CPU: 5676.13, 0.00316705/step Wall: 5676.13, 0.00316705/step, 2.81937 hours remaining, 235.859375 MB of memory in use. ENERGY: 1795200 3909.2389 20621.1893 14475.0160 252.3334 -203174.2199 2493.6700 0.0000 0.0000 51897.7988 -109524.9734 298.2574 -161422.7722 -109158.5892 298.5278 128.5566 155.4060 761181.9080 4.9135 4.8203 PRESSURE: 1795400 -19.0734 69.8514 -246.907 69.8511 -89.4279 -72.2015 -246.907 -72.2025 452.643 GPRESSURE: 1795400 19.568 -0.313026 -166.414 77.2311 -51.0993 -185.118 -120.448 22.3285 482.192 PRESSAVG: 1795400 33.1394 16.6608 34.8229 16.6608 31.5851 -50.6948 34.8229 -50.6948 3.99773 GPRESSAVG: 1795400 34.1629 15.8319 33.846 16.5124 31.6383 -50.0038 39.2976 -49.2529 2.7744 TIMING: 1795400 CPU: 5676.77, 0.00316562/step Wall: 5676.77, 0.00316562/step, 2.81793 hours remaining, 235.859375 MB of memory in use. ENERGY: 1795400 3999.9632 20324.9388 14492.1656 247.8406 -203287.8839 2632.8729 0.0000 0.0000 52107.2767 -109482.8261 299.4612 -161590.1028 -109115.8432 298.6125 114.7139 150.2203 760063.6623 22.9074 22.8585 PRESSURE: 1795600 -425.585 47.5932 -0.983472 47.5936 88.1322 103.958 -0.983107 103.958 -164.922 GPRESSURE: 1795600 -323.414 -48.3632 1.38423 113.316 84.0226 24.4217 105.725 151.194 -168.587 PRESSAVG: 1795600 -73.0621 12.7954 -35.466 12.7953 49.7846 34.8519 -35.466 34.8519 12.1078 GPRESSAVG: 1795600 -72.7061 14.6748 -34.6114 13.8237 49.6583 34.1763 -35.4509 33.3148 12.5708 TIMING: 1795600 CPU: 5677.4, 0.00315819/step Wall: 5677.4, 0.00315819/step, 2.81114 hours remaining, 235.847656 MB of memory in use. ENERGY: 1795600 4020.4296 20503.7130 14408.0617 260.8769 -203446.0392 2589.6044 0.0000 0.0000 52197.1456 -109466.2080 299.9777 -161663.3536 -109100.0605 298.5044 -167.4581 -135.9926 760468.8762 -3.7232 -3.4923 PRESSURE: 1795800 -160.673 90.6761 -42.6964 90.6757 -406.854 285.354 -42.696 285.354 74.2649 GPRESSURE: 1795800 -129.193 114.793 -89.3933 -11.7269 -241.732 204.969 -42.7262 219.339 -15.4177 PRESSAVG: 1795800 0.438917 17.3156 -9.04683 17.3156 29.0084 60.2532 -9.04683 60.2533 -11.5914 GPRESSAVG: 1795800 0.255123 16.3823 -10.7228 17.401 28.4791 61.2128 -10.6402 58.4671 -11.274 TIMING: 1795800 CPU: 5678.03, 0.0031551/step Wall: 5678.03, 0.0031551/step, 2.80821 hours remaining, 235.847656 MB of memory in use. ENERGY: 1795800 4027.3218 20644.9461 14415.6093 241.1776 -203231.1086 2456.2040 0.0000 0.0000 52170.3099 -109275.5399 299.8235 -161445.8498 -108913.0131 299.2437 -164.4209 -128.7809 760890.6242 5.9520 5.8201 PRESSURE: 1796000 26.7738 -64.9164 194.838 -64.9166 258.352 -83.4033 194.838 -83.4044 65.8175 GPRESSURE: 1796000 99.15 -179.968 108.566 11.2692 237.909 -93.251 169.459 6.28484 98.7083 PRESSAVG: 1796000 71.3444 35.7071 -26.8035 35.7072 -37.5208 -13.0983 -26.8035 -13.0983 5.1021 GPRESSAVG: 1796000 71.4027 37.8069 -27.9061 34.3107 -36.894 -12.96 -25.3753 -11.1884 3.95494 TIMING: 1796000 CPU: 5678.66, 0.00315249/step Wall: 5678.66, 0.00315249/step, 2.80572 hours remaining, 235.847656 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: 1796000 4042.8889 20564.1839 14455.1892 245.8487 -203553.4270 2585.9037 0.0000 0.0000 52176.6660 -109482.7466 299.8600 -161659.4126 -109123.0684 299.3211 116.9812 145.2557 761688.7069 12.9752 12.8212 PRESSURE: 1796200 -56.1212 55.7942 -213.147 55.7939 -382.08 2.80965 -213.146 2.80985 332.744 GPRESSURE: 1796200 -64.9179 77.301 -122.053 30.1619 -332.88 55.2493 -222.835 -17.4637 382.532 PRESSAVG: 1796200 33.4225 4.44175 47.9681 4.44172 -80.1367 40.9738 47.9681 40.9738 -27.5563 GPRESSAVG: 1796200 32.0933 1.51466 50.1713 6.51131 -80.7579 41.9681 46.6478 40.4128 -25.8014 TIMING: 1796200 CPU: 5679.29, 0.00315568/step Wall: 5679.29, 0.00315568/step, 2.80838 hours remaining, 235.859375 MB of memory in use. ENERGY: 1796200 3975.1566 20582.6652 14503.0500 245.7199 -203833.0986 2902.4849 0.0000 0.0000 52155.9750 -109468.0469 299.7411 -161624.0219 -109102.4547 299.1656 -35.1524 -5.0887 760719.1304 -24.7569 -24.8220 LDB: ============= START OF LOAD BALANCING ============== 5691.82 LDB: ============== END OF LOAD BALANCING =============== 5691.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5691.83 LDB: ============= START OF LOAD BALANCING ============== 5692.14 LDB: Largest compute 7048 load 0.030232 is 15.5% of average load 0.195436 LDB: Average compute 0.004357 is 2.2% of average load 0.195436 LDB: TIME 5692.15 LOAD: AVG 0.195436 MAX 0.214538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.141 MB LDB: TIME 5692.15 LOAD: AVG 0.195436 MAX 0.214538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.203 MB LDB: TIME 5692.15 LOAD: AVG 0.195436 MAX 0.214538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.203 MB LDB: ============== END OF LOAD BALANCING =============== 5692.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5692.15 PRESSURE: 1796400 -64.4061 -148.159 36.8328 -148.159 62.9301 -135.553 36.8321 -135.553 -64.1707 GPRESSURE: 1796400 -39.4341 -123.008 38.2995 -203.323 70.9862 -144.769 62.3102 -48.5322 -15.5238 PRESSAVG: 1796400 71.9371 -40.8996 23.8712 -40.8995 -86.8453 -15.7441 23.8712 -15.7441 -4.66542 GPRESSAVG: 1796400 72.2757 -39.4436 22.5978 -43.1054 -85.8982 -18.3282 26.4367 -14.7344 -5.39277 TIMING: 1796400 CPU: 5679.94, 0.00322559/step Wall: 5679.94, 0.00322559/step, 2.87042 hours remaining, 235.394531 MB of memory in use. ENERGY: 1796400 3977.8743 20703.8393 14385.5967 257.7743 -203461.6751 2832.7210 0.0000 0.0000 52086.0627 -109217.8066 299.3393 -161303.8694 -108859.3810 299.5007 -21.8822 5.3428 760656.5661 -6.5245 -6.3384 PRESSURE: 1796600 120.594 163.301 84.6441 163.301 404.225 43.8641 84.644 43.8634 197.411 GPRESSURE: 1796600 75.6485 17.1885 99.5211 153.529 500.793 11.6525 94.6256 -5.73346 237.696 PRESSAVG: 1796600 32.0532 25.0807 23.971 25.0807 -44.8609 25.7127 23.9709 25.7126 -15.1986 GPRESSAVG: 1796600 32.6047 23.7682 23.4353 24.1169 -46.5413 25.9114 22.4393 25.48 -14.2441 TIMING: 1796600 CPU: 5680.57, 0.00314924/step Wall: 5680.57, 0.00314924/step, 2.8023 hours remaining, 235.394531 MB of memory in use. ENERGY: 1796600 4032.4969 20564.3571 14470.5905 244.8361 -203102.1381 2675.1931 0.0000 0.0000 51742.3307 -109372.3337 297.3639 -161114.6644 -109004.9562 299.6111 240.7433 271.3791 760883.0830 -9.3354 -9.3936 PRESSURE: 1796800 37.3235 20.6004 -54.0647 20.5994 70.0581 -69.3387 -54.0641 -69.3383 164.501 GPRESSURE: 1796800 65.8501 47.34 -39.2661 18.9494 134.189 -74.1709 6.78135 37.7606 167.468 PRESSAVG: 1796800 59.9606 60.0397 17.5009 60.0397 -75.0198 58.1272 17.5009 58.1272 -20.1511 GPRESSAVG: 1796800 58.9244 58.3855 19.6052 61.9097 -73.1926 59.6871 18.6596 58.3588 -20.9753 TIMING: 1796800 CPU: 5681.2, 0.00314219/step Wall: 5681.2, 0.00314219/step, 2.79585 hours remaining, 235.394531 MB of memory in use. ENERGY: 1796800 4035.5883 20621.8888 14448.6214 252.4228 -203514.8570 2633.8550 0.0000 0.0000 52058.7331 -109463.7476 299.1823 -161522.4807 -109103.4736 299.1563 90.6276 122.5022 759379.7656 -11.7368 -11.7478 PRESSURE: 1797000 181.159 17.751 -196.489 17.7502 69.3355 -221.207 -196.489 -221.206 118.485 GPRESSURE: 1797000 156.88 55.3629 -179.267 67.7529 170.045 -184.093 -170.615 -9.64821 132.507 PRESSAVG: 1797000 -12.4675 1.62972 -18.1896 1.62971 -29.0776 10.0886 -18.1895 10.0886 0.562333 GPRESSAVG: 1797000 -11.0072 3.57895 -19.3031 0.954876 -30.1717 7.43653 -17.7728 11.8717 -0.228455 TIMING: 1797000 CPU: 5681.83, 0.00315342/step Wall: 5681.83, 0.00315342/step, 2.80567 hours remaining, 235.394531 MB of memory in use. ENERGY: 1797000 3973.4833 20639.6229 14432.7710 242.4995 -203620.4833 2874.9708 0.0000 0.0000 52141.3579 -109315.7778 299.6571 -161457.1357 -108953.3220 298.8953 122.9932 153.1440 759874.0560 -13.6609 -13.8024 PRESSURE: 1797200 350.942 51.9264 -133.026 51.9257 -329.834 -51.8543 -133.026 -51.8547 242.565 GPRESSURE: 1797200 291.874 124.477 -80.6352 31.519 -273.235 -5.23655 -179.125 8.75659 333.336 PRESSAVG: 1797200 44.8094 35.7446 15.0818 35.7446 -68.4069 -46.3562 15.0818 -46.3563 3.28917 GPRESSAVG: 1797200 44.1961 35.8422 15.418 35.3392 -68.3267 -45.9126 14.3453 -47.022 3.74471 TIMING: 1797200 CPU: 5682.45, 0.00312751/step Wall: 5682.45, 0.00312751/step, 2.78244 hours remaining, 235.394531 MB of memory in use. ENERGY: 1797200 3974.0283 20535.9927 14452.0276 242.7446 -203362.2511 2874.6455 0.0000 0.0000 51946.6318 -109336.1805 298.5380 -161282.8124 -108976.2433 298.8540 87.8907 117.3249 761541.8451 -6.7694 -6.7953 PRESSURE: 1797400 -154.019 -137.632 60.7792 -137.631 109.35 -50.4773 60.779 -50.4769 244.654 GPRESSURE: 1797400 -178.485 -66.466 44.6682 -187.453 132.999 22.0959 -30.2916 77.1735 315.079 PRESSAVG: 1797400 49.2206 25.7435 7.00855 25.7435 -21.4634 -19.2928 7.00855 -19.2929 13.6404 GPRESSAVG: 1797400 47.5754 26.2152 8.12292 27.4755 -20.6502 -18.5617 4.74219 -18.7154 14.3974 TIMING: 1797400 CPU: 5683.08, 0.00314564/step Wall: 5683.08, 0.00314564/step, 2.79839 hours remaining, 235.394531 MB of memory in use. ENERGY: 1797400 3991.9254 20584.3460 14446.0292 248.3501 -203531.3988 2775.4743 0.0000 0.0000 52103.6912 -109381.5826 299.4406 -161485.2738 -109019.3042 299.3773 66.6616 89.8641 761316.8006 13.7992 13.7742 PRESSURE: 1797600 71.2923 -43.4273 -259.206 -43.4274 -107.094 221.961 -259.205 221.961 -521.224 GPRESSURE: 1797600 105.294 -49.6674 -206.338 -0.446911 -69.3013 284.004 -244.104 104.878 -520.219 PRESSAVG: 1797600 8.02009 -28.452 -0.0502223 -28.4519 -12.5992 3.91525 -0.0502505 3.91523 16.7365 GPRESSAVG: 1797600 9.59113 -30.0785 1.13098 -29.1144 -12.6514 5.03124 0.834974 1.79582 15.326 TIMING: 1797600 CPU: 5683.71, 0.00312241/step Wall: 5683.71, 0.00312241/step, 2.77756 hours remaining, 235.394531 MB of memory in use. ENERGY: 1797600 3980.9053 20368.6167 14354.1271 244.2254 -202673.1563 2284.1264 0.0000 0.0000 52119.3015 -109321.8539 299.5303 -161441.1553 -108952.5484 298.9244 -185.6752 -161.4088 760178.3205 4.0525 4.0886 PRESSURE: 1797800 11.3014 -161.16 -173.45 -161.161 -262.766 -15.2363 -173.449 -15.2362 -727.689 GPRESSURE: 1797800 23.0857 6.519 -179.332 -124.694 -239.977 34.9533 -58.1527 125.104 -667.254 PRESSAVG: 1797800 38.4281 -22.6987 -9.14266 -22.6987 -25.1404 -7.07736 -9.14262 -7.07747 -1.7143 GPRESSAVG: 1797800 38.7098 -21.1321 -12.7193 -23.3855 -24.1484 -7.09495 -9.00901 -4.16759 -2.39054 TIMING: 1797800 CPU: 5684.34, 0.00314842/step Wall: 5684.34, 0.00314842/step, 2.80052 hours remaining, 235.394531 MB of memory in use. ENERGY: 1797800 3940.1371 20446.3164 14410.4713 266.9392 -202385.2006 2029.6757 0.0000 0.0000 52051.0190 -109240.6418 299.1379 -161291.6608 -108876.5629 299.1787 -326.3845 -294.7150 761774.0457 3.8578 4.0570 PRESSURE: 1798000 -291.269 178.06 -33.2863 178.06 97.0321 59.4857 -33.2862 59.4856 -467.191 GPRESSURE: 1798000 -227.149 -22.7688 47.2331 240.699 121.126 60.7732 79.9292 80.4684 -458.904 PRESSAVG: 1798000 3.82543 -43.5838 22.0753 -43.5838 7.93571 -23.1958 22.0753 -23.1958 23.5402 GPRESSAVG: 1798000 3.00484 -45.0635 24.1172 -41.9185 7.77538 -23.824 23.3793 -24.2859 25.2349 TIMING: 1798000 CPU: 5684.96, 0.00313301/step Wall: 5684.96, 0.00313301/step, 2.78664 hours remaining, 235.394531 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: 1798000 3976.3629 20475.5712 14415.6926 244.7236 -202923.8235 2462.4142 0.0000 0.0000 52309.9809 -109039.0781 300.6262 -161349.0590 -108675.9556 299.2059 -220.4761 -188.3088 761897.9502 11.7671 12.0050 PRESSURE: 1798200 -20.5236 -354.87 -106.946 -354.87 -168.649 51.5249 -106.945 51.524 -125.304 GPRESSURE: 1798200 78.1843 -242.509 -71.0475 -380.599 -168.158 -22.0928 -210.899 32.0993 -128.766 PRESSAVG: 1798200 -16.6562 -57.2805 -0.306087 -57.2805 1.28802 -5.46202 -0.306136 -5.46204 15.5091 GPRESSAVG: 1798200 -15.5649 -57.4744 0.213352 -60.7353 1.30849 -6.42603 -2.43572 -6.68973 14.5066 TIMING: 1798200 CPU: 5685.59, 0.00314765/step Wall: 5685.59, 0.00314765/step, 2.79949 hours remaining, 235.394531 MB of memory in use. ENERGY: 1798200 4006.2976 20530.4268 14402.2518 238.9987 -202828.8196 2532.1285 0.0000 0.0000 51964.8446 -109153.8715 298.6427 -161118.7161 -108795.5019 299.5508 -104.8256 -72.9133 760819.2775 0.0470 0.0834 PRESSURE: 1798400 -499.41 72.2382 -53.7557 72.2377 -436.389 27.7336 -53.7557 27.7347 -262.993 GPRESSURE: 1798400 -469.72 30.7118 -2.98763 34.3762 -351.519 20.3241 110.121 77.6928 -294.283 PRESSAVG: 1798400 25.2878 -27.3961 12.8312 -27.3961 0.724084 -26.838 12.8313 -26.838 -4.58246 GPRESSAVG: 1798400 24.37 -27.2545 12.7393 -27.574 1.57822 -26.2874 14.4889 -23.4544 -4.03316 TIMING: 1798400 CPU: 5686.22, 0.00314645/step Wall: 5686.22, 0.00314645/step, 2.79825 hours remaining, 235.394531 MB of memory in use. ENERGY: 1798400 4078.0115 20570.0831 14432.5153 241.9635 -203244.7350 2539.8454 0.0000 0.0000 52280.5957 -109101.7205 300.4573 -161382.3161 -108739.9716 299.8963 -399.5971 -371.8407 760660.2382 7.1431 7.3050 PRESSURE: 1798600 -350.142 -10.69 -5.77053 -10.6894 -122.693 -155.388 -5.77022 -155.387 325.903 GPRESSURE: 1798600 -295.765 -33.2408 60.4435 -31.0408 -98.9443 -125.133 73.9145 -181.263 330.119 PRESSAVG: 1798600 30.9167 -17.1346 19.2627 -17.1347 -10.7512 1.86865 19.2627 1.86875 10.6441 GPRESSAVG: 1798600 31.9425 -18.6655 18.7187 -15.2753 -11.642 1.52523 18.9225 -1.6465 10.3019 TIMING: 1798600 CPU: 5686.85, 0.00316115/step Wall: 5686.85, 0.00316115/step, 2.81114 hours remaining, 235.394531 MB of memory in use. ENERGY: 1798600 4046.4538 20441.9971 14478.9730 239.9283 -203469.6447 2935.5202 0.0000 0.0000 52146.5413 -109180.2310 299.6869 -161326.7723 -108811.3994 299.4000 -48.9773 -21.5304 761565.2308 10.2699 10.2008 PRESSURE: 1798800 21.2696 -224.74 -81.6895 -224.741 154.44 158.088 -81.6898 158.087 133.487 GPRESSURE: 1798800 67.5608 -145.286 -111.702 -91.318 123.76 63.2494 -108.558 226.634 201.632 PRESSAVG: 1798800 32.5694 -48.0594 46.4789 -48.0593 -43.3651 8.06263 46.4788 8.06266 6.06116 GPRESSAVG: 1798800 33.57 -45.0165 46.7562 -48.5524 -44.6134 8.88878 45.0872 11.0696 6.13966 TIMING: 1798800 CPU: 5687.48, 0.00315606/step Wall: 5687.48, 0.00315606/step, 2.80644 hours remaining, 235.394531 MB of memory in use. ENERGY: 1798800 3924.8570 20358.9299 14524.5504 240.4796 -203152.6584 2545.0187 0.0000 0.0000 52157.1125 -109401.7103 299.7476 -161558.8228 -109032.8188 299.0804 103.0657 130.9843 761496.4612 -1.5782 -1.6346 PRESSURE: 1799000 -379.017 -44.2493 23.404 -44.2495 -284.153 -137.854 23.4044 -137.854 -145.119 GPRESSURE: 1799000 -256.302 2.32226 -12.3511 -21.1201 -279.164 -36.1448 12.9358 -193.325 -190.78 PRESSAVG: 1799000 -2.34575 0.0891103 -3.74378 0.0891129 14.5546 -15.3376 -3.74381 -15.3376 -9.86519 GPRESSAVG: 1799000 -3.46391 0.0894155 -4.06003 -0.576306 15.5676 -13.8389 -2.79418 -18.6196 -9.87252 TIMING: 1799000 CPU: 5688.11, 0.0031448/step Wall: 5688.11, 0.0031448/step, 2.79625 hours remaining, 235.394531 MB of memory in use. ENERGY: 1799000 4090.3616 20545.5229 14490.2756 244.5447 -203602.5063 2637.9919 0.0000 0.0000 52120.7740 -109473.0357 299.5388 -161593.8096 -109107.7672 298.8674 -269.4296 -242.0819 762071.1900 0.7812 0.7437 PRESSURE: 1799200 192.841 -83.6114 -51.4588 -83.6128 463.612 139.768 -51.4575 139.767 -335.753 GPRESSURE: 1799200 186.888 -94.2122 3.37321 -105.86 477.893 116.639 -34.5189 277.125 -250.782 PRESSAVG: 1799200 -52.2807 -8.59399 4.63526 -8.59396 14.5616 11.4105 4.63524 11.4105 10.1587 GPRESSAVG: 1799200 -52.6875 -8.58485 4.81009 -7.22566 14.9653 9.34194 3.12241 13.3391 10.54 TIMING: 1799200 CPU: 5688.74, 0.00314479/step Wall: 5688.74, 0.00314478/step, 2.79606 hours remaining, 235.394531 MB of memory in use. ENERGY: 1799200 4004.9681 20611.6815 14444.5686 233.2782 -203541.0582 2863.0358 0.0000 0.0000 52151.7307 -109231.7954 299.7167 -161383.5260 -108879.2612 298.9575 106.8999 137.9993 763419.9663 -9.1868 -9.0607 PRESSURE: 1799400 -8.62686 43.0131 -22.0227 43.0125 81.1428 -230.384 -22.0229 -230.385 -209.603 GPRESSURE: 1799400 38.0233 -51.6997 -15.0469 170.461 80.6005 -235.361 -85.2061 -183.777 -173.871 PRESSAVG: 1799400 -16.9648 2.1973 53.5553 2.19728 31.4998 -67.2703 53.5554 -67.2703 9.25926 GPRESSAVG: 1799400 -18.1036 2.04109 54.66 1.98325 32.8192 -66.402 54.8139 -66.0342 8.5874 TIMING: 1799400 CPU: 5689.38, 0.00316706/step Wall: 5689.38, 0.00316706/step, 2.81569 hours remaining, 235.394531 MB of memory in use. ENERGY: 1799400 3930.6870 20549.5107 14438.3305 240.5627 -203006.8608 2632.8823 0.0000 0.0000 51915.2800 -109299.6077 298.3578 -161214.8878 -108937.2971 299.3216 -45.6958 -18.4158 764563.4942 7.9314 7.7677 PRESSURE: 1799600 -328.599 -62.1951 140.739 -62.1954 -43.4893 -195.525 140.739 -195.526 -172.694 GPRESSURE: 1799600 -313.886 20.198 116.938 -47.8411 -66.2851 -137.008 144.781 -274.41 -69.8167 PRESSAVG: 1799600 -26.1954 -12.2628 25.537 -12.2628 -24.7868 -6.56223 25.537 -6.56222 -0.263026 GPRESSAVG: 1799600 -25.603 -11.8502 23.3607 -12.5149 -25.7383 -6.23138 26.7147 -6.63439 -0.147088 TIMING: 1799600 CPU: 5690, 0.00314694/step Wall: 5690, 0.00314694/step, 2.79763 hours remaining, 235.394531 MB of memory in use. ENERGY: 1799600 4014.5753 20413.1777 14419.9759 240.7335 -203140.4435 2905.7702 0.0000 0.0000 52024.9187 -109121.2922 298.9879 -161146.2109 -108759.6887 299.0240 -181.5940 -149.9959 763624.2874 -17.0817 -17.1628 PRESSURE: 1799800 -34.4863 -164.363 17.3798 -164.362 -107.764 41.1743 17.3793 41.1743 -274.147 GPRESSURE: 1799800 -61.9718 -173.444 -43.9899 -101.186 11.8861 -30.2505 129.723 -16.8175 -286.475 PRESSAVG: 1799800 -51.2184 -27.3033 32.4639 -27.3033 14.2315 44.3002 32.4639 44.3002 -6.59262 GPRESSAVG: 1799800 -53.3009 -28.3124 31.8234 -27.852 14.5036 42.193 32.5098 42.1323 -5.43909 TIMING: 1799800 CPU: 5690.63, 0.00314227/step Wall: 5690.63, 0.00314227/step, 2.7933 hours remaining, 235.394531 MB of memory in use. ENERGY: 1799800 4032.9047 20523.1259 14544.2518 276.8746 -203116.0352 2583.8571 0.0000 0.0000 52124.0548 -109030.9662 299.5577 -161155.0210 -108671.4486 299.0583 -138.7990 -112.1870 762696.6813 -14.5265 -14.7455 PRESSURE: 1800000 -143.688 220.343 26.9931 220.343 112.826 -32.6398 26.994 -32.6401 -153.254 GPRESSURE: 1800000 -24.8361 181.008 -112.333 209.839 96.1898 81.9835 115.524 23.103 -173.118 PRESSAVG: 1800000 -47.7337 -32.2197 5.92527 -32.2197 46.7716 25.0209 5.92526 25.0208 19.7173 GPRESSAVG: 1800000 -45.3004 -33.9692 7.29199 -28.9529 44.8944 26.9643 4.74827 25.7164 19.1617 TIMING: 1800000 CPU: 5691.27, 0.00316609/step Wall: 5691.27, 0.00316609/step, 2.8143 hours remaining, 235.394531 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: 1800000 4010.1701 20775.1173 14431.0287 236.7504 -203660.0439 2928.0422 0.0000 0.0000 52263.0826 -109015.8526 300.3567 -161278.9352 -108652.4269 300.1999 -61.3719 -33.9213 761874.8760 6.2517 6.2519 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.1.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: 1800200 -40.4903 -141.661 24.1655 -141.662 -391.964 -52.3366 24.1658 -52.3364 -698.544 GPRESSURE: 1800200 -41.1385 -75.351 79.2009 15.8835 -357.378 -164.741 4.17051 63.1067 -669.934 PRESSAVG: 1800200 7.97217 -56.8985 -33.0564 -56.8985 14.1011 24.0203 -33.0564 24.0203 -2.50003 GPRESSAVG: 1800200 6.95738 -55.9241 -33.1779 -56.9703 15.6776 22.2438 -32.8789 25.2544 -3.04817 TIMING: 1800200 CPU: 5691.92, 0.00324468/step Wall: 5691.92, 0.00324468/step, 2.88398 hours remaining, 235.519531 MB of memory in use. ENERGY: 1800200 4038.6903 20568.2070 14474.3170 244.4634 -203330.7112 2680.0721 0.0000 0.0000 52374.2739 -108950.6876 300.9957 -161324.9615 -108579.4988 300.5205 -376.9993 -356.1501 763584.3562 6.5244 6.5290 LDB: ============= START OF LOAD BALANCING ============== 5704.45 LDB: ============== END OF LOAD BALANCING =============== 5704.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5704.45 LDB: ============= START OF LOAD BALANCING ============== 5704.76 LDB: Largest compute 7043 load 0.029859 is 15.3% of average load 0.195481 LDB: Average compute 0.004366 is 2.2% of average load 0.195481 LDB: TIME 5704.76 LOAD: AVG 0.195481 MAX 0.214289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 5704.76 LOAD: AVG 0.195481 MAX 0.214289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 5704.76 LOAD: AVG 0.195481 MAX 0.214289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 5704.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5704.77 PRESSURE: 1800400 33.5562 58.0773 144.257 58.0774 42.7814 -143.532 144.257 -143.531 -53.9851 GPRESSURE: 1800400 -59.8783 41.3375 129.791 32.5961 94.3251 -89.3373 122.07 -58.6713 90.5742 PRESSAVG: 1800400 -9.62026 -44.9549 -13.5038 -44.9548 66.9657 0.800793 -13.5038 0.800867 -10.7503 GPRESSAVG: 1800400 -9.21564 -45.4598 -12.348 -45.1599 66.7627 1.1763 -14.0559 -1.58573 -10.5229 TIMING: 1800400 CPU: 5692.55, 0.00319674/step Wall: 5692.55, 0.00319674/step, 2.84119 hours remaining, 236.734375 MB of memory in use. ENERGY: 1800400 3933.3840 20537.3546 14496.8010 266.3189 -203011.8953 2728.6348 0.0000 0.0000 52025.9648 -109023.4372 298.9939 -161049.4021 -108669.0199 299.9577 7.4508 41.6736 762372.7914 15.5317 15.6747 PRESSURE: 1800600 208.943 -130.738 -9.39889 -130.738 418.891 74.2488 -9.39875 74.2488 11.0781 GPRESSURE: 1800600 307.844 -134.363 -99.5507 -81.6338 470.884 82.3669 25.4285 -12.5775 -30.1744 PRESSAVG: 1800600 -39.4148 -42.8248 18.3333 -42.8247 9.9094 -18.1963 18.3333 -18.1963 -13.1279 GPRESSAVG: 1800600 -39.0306 -40.5139 17.9249 -44.2361 10.2476 -17.2147 18.1306 -15.7153 -13.5519 TIMING: 1800600 CPU: 5693.18, 0.00312342/step Wall: 5693.18, 0.00312343/step, 2.77586 hours remaining, 237.140625 MB of memory in use. ENERGY: 1800600 4000.9605 20546.6914 14473.7621 250.9863 -203384.6957 2950.0288 0.0000 0.0000 52096.1685 -109066.0981 299.3974 -161162.2666 -108692.8609 300.2863 212.9707 249.5179 760490.9544 -14.2111 -14.1117 PRESSURE: 1800800 63.9965 -153.416 -79.7336 -153.416 -191.489 -102.196 -79.7334 -102.195 116.269 GPRESSURE: 1800800 43.7041 -171.033 -114.566 -106.429 -146.857 -142.45 72.5712 -98.2634 185.694 PRESSAVG: 1800800 29.4172 5.03632 -33.0508 5.03632 3.86 -12.3468 -33.0508 -12.3468 -0.122846 GPRESSAVG: 1800800 28.2261 4.4529 -34.6456 3.3423 4.70151 -13.6267 -32.3437 -13.5399 0.13179 TIMING: 1800800 CPU: 5693.81, 0.00312873/step Wall: 5693.81, 0.00312873/step, 2.7804 hours remaining, 237.343750 MB of memory in use. ENERGY: 1800800 3997.1916 20794.5263 14428.0419 267.3769 -202815.1455 2302.2977 0.0000 0.0000 52018.2681 -109007.4429 298.9497 -161025.7110 -108648.9272 299.9731 -3.7410 27.5136 763380.1307 11.0514 11.0198 PRESSURE: 1801000 135.721 137.48 -185.05 137.481 170.16 178.766 -185.05 178.765 274.189 GPRESSURE: 1801000 155.8 265.677 -196.873 88.164 224.586 123.449 -121.122 116.686 272.644 PRESSAVG: 1801000 15.1297 7.41589 -44.3945 7.41584 -9.96098 -14.0604 -44.3945 -14.0605 14.7784 GPRESSAVG: 1801000 15.0639 6.64043 -44.9755 9.00315 -10.4568 -13.1536 -43.6117 -14.1907 15.1206 TIMING: 1801000 CPU: 5694.43, 0.00313621/step Wall: 5694.43, 0.00313621/step, 2.78687 hours remaining, 237.343750 MB of memory in use. ENERGY: 1801000 3919.5137 20588.6704 14474.7491 245.4132 -203265.3924 2871.5387 0.0000 0.0000 52120.9071 -109044.6001 299.5396 -161165.5073 -108680.6704 299.6870 193.3565 217.6766 763268.1343 6.6490 6.5759 PRESSURE: 1801200 6.84346 4.82843 62.1082 4.82855 196.717 -105.566 62.1081 -105.567 262.596 GPRESSURE: 1801200 -10.1056 0.107517 81.9931 39.8726 196.01 -117.001 -10.2818 1.59577 348.41 PRESSAVG: 1801200 -16.3109 -9.94102 -9.62911 -9.94106 31.1425 -38.4051 -9.62915 -38.4051 17.5082 GPRESSAVG: 1801200 -15.0575 -9.38598 -6.2749 -10.3673 29.0116 -36.9834 -11.78 -38.1968 18.1626 TIMING: 1801200 CPU: 5695.06, 0.00312484/step Wall: 5695.06, 0.00312484/step, 2.7766 hours remaining, 237.343750 MB of memory in use. ENERGY: 1801200 3924.8207 20662.1967 14536.9186 245.4814 -203085.8256 2567.3639 0.0000 0.0000 52125.9931 -109023.0511 299.5688 -161149.0442 -108663.6516 300.2614 155.3855 178.1049 761133.9077 10.7799 10.7056 PRESSURE: 1801400 -151.342 -46.0342 -38.916 -46.0349 29.0669 -79.984 -38.9166 -79.9838 -143.96 GPRESSURE: 1801400 -174.692 -80.1865 8.07205 -59.9694 114.678 -75.0709 -285.959 -130.62 -128.671 PRESSAVG: 1801400 -24.4022 -48.0657 -10.9835 -48.0657 3.17274 -17.3128 -10.9835 -17.3128 -13.4939 GPRESSAVG: 1801400 -25.447 -48.2513 -13.2525 -47.074 5.04117 -17.8043 -11.3288 -17.5207 -14.8256 TIMING: 1801400 CPU: 5695.68, 0.00312971/step Wall: 5695.68, 0.00312971/step, 2.78075 hours remaining, 237.343750 MB of memory in use. ENERGY: 1801400 3957.2469 20657.9576 14406.3324 257.7062 -203295.1474 2739.2386 0.0000 0.0000 52184.8230 -109091.8426 299.9069 -161276.6657 -108727.3865 299.5973 -88.7449 -62.8948 761838.9014 -11.5745 -11.7438 PRESSURE: 1801600 189.354 76.7082 97.5994 76.7075 49.7679 70.965 97.6 70.9655 -11.5744 GPRESSURE: 1801600 227.468 54.1284 92.9557 96.9659 101.089 18.0791 91.9566 -13.8456 -20.1472 PRESSAVG: 1801600 -3.34652 -44.8442 -0.0307339 -44.8441 6.69562 -13.6224 -0.0307528 -13.6224 22.696 GPRESSAVG: 1801600 -3.34595 -44.4345 -0.777818 -44.3633 6.87852 -13.038 1.36255 -15.0903 22.7904 TIMING: 1801600 CPU: 5696.31, 0.00312638/step Wall: 5696.31, 0.00312638/step, 2.77762 hours remaining, 237.343750 MB of memory in use. ENERGY: 1801600 4039.5172 20542.6592 14423.6876 246.0558 -203647.4037 2911.1835 0.0000 0.0000 52405.5740 -109078.7264 301.1756 -161484.3004 -108710.4456 300.0347 75.8493 102.8033 763254.1744 8.6817 8.7743 PRESSURE: 1801800 33.1165 -224.76 -36.4648 -224.76 -38.4473 149.047 -36.4646 149.047 -49.4469 GPRESSURE: 1801800 43.0396 -226.827 -33.7476 -142.781 42.7391 139.798 34.7009 138.512 -38.0865 PRESSAVG: 1801800 -30.789 33.396 26.0651 33.396 8.48623 -16.9537 26.0651 -16.9537 -2.62122 GPRESSAVG: 1801800 -31.3828 31.5375 26.8362 33.7607 9.24163 -18.9072 26.3224 -14.4025 -2.42749 TIMING: 1801800 CPU: 5696.94, 0.00313309/step Wall: 5696.94, 0.00313309/step, 2.7834 hours remaining, 237.343750 MB of memory in use. ENERGY: 1801800 3961.3542 20551.2774 14503.0644 248.1931 -203312.8625 2682.7584 0.0000 0.0000 52245.8398 -109120.3752 300.2576 -161366.2150 -108752.0725 299.9374 -18.2592 15.8974 762519.0929 -8.3080 -8.1896 PRESSURE: 1802000 -384.449 128.284 16.1122 128.284 44.8223 -3.96562 16.1115 -3.96534 -241.262 GPRESSURE: 1802000 -386.51 158.874 62.5808 44.0988 101.634 62.4608 155.35 -144.741 -209.082 PRESSAVG: 1802000 -115.59 -27.2249 -11.1423 -27.2249 97.2995 43.1174 -11.1423 43.1174 -15.1576 GPRESSAVG: 1802000 -113.889 -25.6365 -11.5953 -29.3285 95.8081 44.1357 -10.8777 39.3085 -14.8204 TIMING: 1802000 CPU: 5697.57, 0.00315719/step Wall: 5697.57, 0.00315719/step, 2.80464 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: 1802000 4062.2154 20584.9671 14538.6592 247.6419 -203104.9015 2564.0911 0.0000 0.0000 52175.9490 -108931.3778 299.8559 -161107.3268 -108566.2425 299.8901 -193.6296 -164.6525 763606.4047 -11.1493 -10.9672 PRESSURE: 1802200 -183.997 104.636 -34.1267 104.636 -172.745 18.7315 -34.1271 18.7305 -166.113 GPRESSURE: 1802200 -182.692 -13.8066 -109.794 112.232 -186.735 -63.6403 17.2109 142.051 -69.5469 PRESSAVG: 1802200 -63.7442 -4.40307 -22.7909 -4.40306 46.958 -17.2677 -22.7909 -17.2678 7.91356 GPRESSAVG: 1802200 -64.6339 -4.65916 -22.704 -3.90981 46.3971 -17.7832 -22.5276 -15.0507 8.79004 TIMING: 1802200 CPU: 5698.2, 0.00315409/step Wall: 5698.2, 0.00315409/step, 2.80171 hours remaining, 237.332031 MB of memory in use. ENERGY: 1802200 3919.6640 20554.4424 14525.0532 247.9137 -202978.4233 2502.1531 0.0000 0.0000 52236.5980 -108992.5989 300.2044 -161229.1969 -108635.8649 299.4959 -174.2850 -146.3247 762251.2307 -2.9575 -3.1489 PRESSURE: 1802400 -305.06 -52.1956 -7.4165 -52.1956 182.945 115.963 -7.41598 115.963 -197.097 GPRESSURE: 1802400 -190.874 -76.1552 52.9805 -70.8395 97.8514 133.688 18.6509 -83.6005 -130.561 PRESSAVG: 1802400 -37.1586 -49.2828 -19.4174 -49.2828 53.4515 12.1398 -19.4174 12.1397 -2.54328 GPRESSAVG: 1802400 -37.5288 -48.1182 -20.1095 -47.2545 53.3978 10.4354 -19.4292 11.9499 -2.64107 TIMING: 1802400 CPU: 5698.83, 0.00317822/step Wall: 5698.83, 0.00317822/step, 2.82297 hours remaining, 237.332031 MB of memory in use. ENERGY: 1802400 3969.2724 20455.7967 14494.0309 230.2946 -202706.3553 2447.5177 0.0000 0.0000 52264.4106 -108845.0324 300.3643 -161109.4430 -108466.7637 299.7292 -106.4042 -74.5281 763738.3531 4.5832 4.4093 PRESSURE: 1802600 -213.434 -185.982 89.5336 -185.983 -64.3646 376.963 89.533 376.963 48.434 GPRESSURE: 1802600 -120.25 -188.393 110.216 -207.814 -28.2696 332.064 -8.28366 280.717 27.5041 PRESSAVG: 1802600 -43.6818 -37.5709 -2.59213 -37.5709 64.095 -7.69969 -2.5921 -7.69962 1.90296 GPRESSAVG: 1802600 -42.7508 -38.1274 -3.18675 -38.7947 64.3635 -7.75228 -2.91953 -7.28061 1.76073 TIMING: 1802600 CPU: 5699.47, 0.00316413/step Wall: 5699.47, 0.00316414/step, 2.81028 hours remaining, 237.343750 MB of memory in use. ENERGY: 1802600 4011.4659 20433.6725 14531.3009 248.9579 -203190.6413 2761.0846 0.0000 0.0000 52054.7354 -109149.4241 299.1593 -161204.1595 -108784.1645 300.1287 -76.4548 -40.3384 762847.5334 7.4387 7.7911 PRESSURE: 1802800 130.396 -295.694 -307.944 -295.693 -214.127 -85.9832 -307.943 -85.9831 -66.4155 GPRESSURE: 1802800 201.648 -218.339 -177.701 -234.669 -239.213 -120.422 -317.836 -59.1863 -26.3488 PRESSAVG: 1802800 35.9005 -57.9034 -13.5685 -57.9034 -39.8347 -11.6669 -13.5685 -11.6669 8.0359 GPRESSAVG: 1802800 36.3616 -58.798 -11.0463 -55.4315 -38.4318 -11.0719 -14.6102 -10.758 6.34445 TIMING: 1802800 CPU: 5700.09, 0.00314426/step Wall: 5700.09, 0.00314426/step, 2.79245 hours remaining, 237.343750 MB of memory in use. ENERGY: 1802800 3961.8954 20451.0101 14443.1329 245.4444 -202893.7167 2359.6630 0.0000 0.0000 52123.6254 -109308.9453 299.5552 -161432.5707 -108945.3236 299.5527 -50.0489 -21.3044 761578.3276 1.3672 1.4248 PRESSURE: 1803000 -159.949 -33.5103 40.7766 -33.5098 202.101 152.052 40.7761 152.051 -205.234 GPRESSURE: 1803000 -159.188 -53.5596 54.4675 -117.819 198.267 121.561 45.9601 176.017 -134.463 PRESSAVG: 1803000 -6.00019 1.67254 -10.0687 1.67255 22.347 -98.6068 -10.0687 -98.6069 -7.22844 GPRESSAVG: 1803000 -7.44594 1.58896 -10.7293 -0.875208 22.3257 -96.3645 -9.46574 -100.781 -6.18267 TIMING: 1803000 CPU: 5700.73, 0.00316311/step Wall: 5700.73, 0.00316311/step, 2.80902 hours remaining, 237.343750 MB of memory in use. ENERGY: 1803000 3935.0938 20688.0246 14518.2162 228.7084 -203245.9043 2601.7966 0.0000 0.0000 52191.5538 -109082.5109 299.9456 -161274.0647 -108722.1108 299.3201 -54.3607 -31.7945 761817.1336 3.0395 2.8990 PRESSURE: 1803200 220.773 -96.2785 -3.95068 -96.279 212.534 -54.6024 -3.94987 -54.6019 268.949 GPRESSURE: 1803200 216.307 -37.5162 17.0752 -20.3599 262.487 20.0026 -21.1132 35.379 290.529 PRESSAVG: 1803200 2.50316 -33.7045 -24.9584 -33.7045 -11.5177 -93.4995 -24.9584 -93.4995 -8.84062 GPRESSAVG: 1803200 2.71332 -32.3176 -24.6639 -32.658 -11.1278 -93.6707 -25.8692 -92.5633 -9.54201 TIMING: 1803200 CPU: 5701.35, 0.00312706/step Wall: 5701.35, 0.00312706/step, 2.77683 hours remaining, 237.343750 MB of memory in use. ENERGY: 1803200 4021.6443 20697.9140 14557.3592 235.2150 -203072.8737 2659.5530 0.0000 0.0000 51804.0650 -109097.1232 297.7187 -160901.1882 -108745.1223 299.8698 234.0855 256.4411 760776.0264 -5.9517 -5.9855 PRESSURE: 1803400 -148.988 -67.8382 -83.454 -67.839 -192.588 -3.39117 -83.4542 -3.39174 -253.105 GPRESSURE: 1803400 -60.8865 -173.611 -156.716 -46.5004 -181.062 -6.3669 -88.1527 90.3081 -255.216 PRESSAVG: 1803400 -76.8388 -21.5824 1.08627 -21.5824 35.773 -50.8611 1.08631 -50.8611 15.9823 GPRESSAVG: 1803400 -76.8502 -24.3794 0.342493 -19.8008 35.3839 -53.0669 1.09544 -49.8163 16.9528 TIMING: 1803400 CPU: 5701.98, 0.00313721/step Wall: 5701.98, 0.00313721/step, 2.78566 hours remaining, 237.343750 MB of memory in use. ENERGY: 1803400 3993.9700 20599.6100 14507.2002 267.4245 -203282.8365 2395.0553 0.0000 0.0000 52308.0280 -109211.5486 300.6150 -161519.5765 -108847.5334 299.4995 -198.2273 -165.7216 760539.4701 -8.3612 -8.1712 PRESSURE: 1803600 -435.241 10.5942 23.3923 10.5946 -460.202 -150.086 23.3926 -150.087 335.749 GPRESSURE: 1803600 -295.849 43.4404 -8.04252 45.7527 -457.905 -124.9 81.4976 -192.384 296.17 PRESSAVG: 1803600 -34.0894 -24.3889 -25.3001 -24.3889 74.5694 -8.90273 -25.3001 -8.90274 -19.6447 GPRESSAVG: 1803600 -33.8153 -23.6111 -26.831 -27.5352 73.1308 -6.85081 -25.0884 -9.71846 -18.4718 TIMING: 1803600 CPU: 5702.61, 0.00313952/step Wall: 5702.61, 0.00313952/step, 2.78755 hours remaining, 237.343750 MB of memory in use. ENERGY: 1803600 3982.2078 20508.4547 14506.9944 251.9071 -202565.4725 2122.3065 0.0000 0.0000 52122.9684 -109070.6337 299.5514 -161193.6021 -108700.2106 299.5645 -186.5646 -152.5281 761252.2440 6.9451 6.9479 PRESSURE: 1803800 263.772 -183.929 -6.8567 -183.928 -74.5161 -11.3958 -6.85617 -11.3946 178.311 GPRESSURE: 1803800 294.257 -120.601 -24.9326 -210.61 -15.0114 13.8717 -10.2881 180.73 182.007 PRESSAVG: 1803800 12.5658 -32.5024 12.2 -32.5024 50.6064 -0.264287 12.2001 -0.264194 25.0331 GPRESSAVG: 1803800 12.4923 -33.0625 13.9324 -30.0665 52.9966 -0.574018 12.4505 1.30941 22.667 TIMING: 1803800 CPU: 5703.24, 0.00315968/step Wall: 5703.24, 0.00315968/step, 2.80527 hours remaining, 237.343750 MB of memory in use. ENERGY: 1803800 3984.5965 20513.5885 14474.0719 254.2842 -203519.8620 2833.0177 0.0000 0.0000 52151.0806 -109309.2226 299.7130 -161460.3032 -108949.2498 299.8545 122.5224 153.7509 760453.2166 29.4018 29.3853 PRESSURE: 1804000 -293.81 -118.1 -113.183 -118.1 -96.5169 93.8534 -113.182 93.8536 -96.2365 GPRESSURE: 1804000 -256.106 -103.552 -195.432 -217.812 -3.58798 168.884 -249.491 -81.3164 -130.903 PRESSAVG: 1804000 6.02297 -16.2255 -39.3362 -16.2255 -7.4452 -11.2767 -39.3362 -11.2767 -0.495412 GPRESSAVG: 1804000 6.50178 -17.0824 -40.5923 -16.6195 -8.37699 -11.436 -41.1031 -13.9927 0.36587 TIMING: 1804000 CPU: 5703.87, 0.00315259/step Wall: 5703.87, 0.00315259/step, 2.7988 hours remaining, 237.343750 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: 1804000 4029.6338 20415.4344 14535.1257 241.1773 -203220.8647 2656.8659 0.0000 0.0000 51881.9332 -109460.6944 298.1662 -161342.6277 -109110.4756 299.2636 -162.1877 -130.1990 762497.1242 -0.6392 -0.5031 PRESSURE: 1804200 -220.692 -128.286 188.79 -128.286 -178.426 151.278 188.79 151.277 -98.6707 GPRESSURE: 1804200 -122.931 -28.342 120.77 -118.306 -46.4083 242.726 215.195 58.5121 -264.455 PRESSAVG: 1804200 -38.9617 -77.3651 -45.0824 -77.3651 33.7278 -7.26742 -45.0824 -7.26743 -3.30851 GPRESSAVG: 1804200 -39.7078 -75.0337 -44.4987 -78.693 34.3918 -8.34355 -43.478 -6.81826 -3.33472 TIMING: 1804200 CPU: 5704.5, 0.00315688/step Wall: 5704.5, 0.00315688/step, 2.80243 hours remaining, 237.343750 MB of memory in use. ENERGY: 1804200 4052.1650 20725.9039 14503.1848 242.7137 -203436.3461 2657.4531 0.0000 0.0000 51986.0746 -109268.8509 298.7647 -161254.9255 -108910.5537 299.2320 -165.9295 -144.5983 761262.6984 -2.8475 -2.8835 LDB: ============= START OF LOAD BALANCING ============== 5717.03 LDB: ============== END OF LOAD BALANCING =============== 5717.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5717.03 LDB: ============= START OF LOAD BALANCING ============== 5717.35 LDB: Largest compute 7037 load 0.029831 is 15.3% of average load 0.195423 LDB: Average compute 0.004389 is 2.2% of average load 0.195423 LDB: TIME 5717.35 LOAD: AVG 0.195423 MAX 0.214982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 5717.35 LOAD: AVG 0.195423 MAX 0.214982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 5717.35 LOAD: AVG 0.195423 MAX 0.214982 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 5717.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5717.36 PRESSURE: 1804400 -33.5428 -54.043 -95.6508 -54.0428 88.5595 -155.771 -95.6504 -155.771 336.864 GPRESSURE: 1804400 -10.5918 -115.257 13.9215 -70.5174 63.9876 -152.682 -187.728 -220.028 432.015 PRESSAVG: 1804400 -7.73916 -92.9692 15.5795 -92.9692 -30.7996 16.8224 15.5794 16.8224 9.9211 GPRESSAVG: 1804400 -6.72721 -93.927 15.0729 -92.8672 -31.8482 15.561 16.64 20.1645 10.2528 TIMING: 1804400 CPU: 5705.14, 0.00320239/step Wall: 5705.14, 0.00320239/step, 2.84265 hours remaining, 236.222656 MB of memory in use. ENERGY: 1804400 3913.5159 20639.8212 14460.1133 239.1266 -203496.4130 2813.3512 0.0000 0.0000 52247.7180 -109182.7668 300.2684 -161430.4847 -108824.0958 299.2877 130.6268 161.8037 762799.7626 -9.5392 -9.4409 PRESSURE: 1804600 -141.041 191.522 -13.7816 191.522 -154.577 3.02544 -13.7815 3.02486 -72.9536 GPRESSURE: 1804600 -17.7373 151.733 33.8444 112.903 -176.16 -31.9659 -26.2765 -48.8052 -79.5272 PRESSAVG: 1804600 -11.4144 -31.2572 50.07 -31.2572 31.0328 19.3327 50.07 19.3327 3.4702 GPRESSAVG: 1804600 -10.6184 -30.8924 51.3909 -33.7845 31.1793 21.3629 48.0191 15.3148 2.79489 TIMING: 1804600 CPU: 5705.77, 0.00313914/step Wall: 5705.77, 0.00313914/step, 2.78633 hours remaining, 236.425781 MB of memory in use. ENERGY: 1804600 3995.9075 20427.4435 14515.7825 238.6263 -202801.9053 2454.3755 0.0000 0.0000 52124.9294 -109044.8405 299.5627 -161169.7699 -108668.0865 300.0759 -122.8573 -91.1415 762819.2750 7.6962 7.7853 PRESSURE: 1804800 15.1109 30.8724 259.224 30.8724 72.9858 61.666 259.224 61.6674 -6.73555 GPRESSURE: 1804800 27.9186 27.8188 286.146 -10.9731 122.76 71.3469 150.797 43.0408 12.1095 PRESSAVG: 1804800 15.9155 -12.9757 6.6865 -12.9757 10.529 -23.5207 6.68658 -23.5207 -13.4651 GPRESSAVG: 1804800 15.5223 -13.1208 4.65194 -10.4672 10.5974 -23.5937 8.21126 -23.2746 -13.3117 TIMING: 1804800 CPU: 5706.4, 0.00313629/step Wall: 5706.4, 0.00313629/step, 2.78363 hours remaining, 236.414062 MB of memory in use. ENERGY: 1804800 3957.2243 20459.3805 14471.5610 233.1243 -203266.2762 2644.2903 0.0000 0.0000 52123.7188 -109376.9771 299.5557 -161500.6958 -109010.8306 299.4516 27.1204 54.2626 762865.9151 4.3264 4.2693 PRESSURE: 1805000 128.889 69.9873 -69.9995 69.9863 375.029 32.2519 -69.9997 32.2518 8.97732 GPRESSURE: 1805000 111.956 8.34384 -109.267 161.754 389.676 7.95143 -66.31 76.726 102.169 PRESSAVG: 1805000 -19.9767 -71.6009 12.4569 -71.6009 6.66119 -1.77585 12.4569 -1.77577 0.797935 GPRESSAVG: 1805000 -19.8962 -71.8109 14.2462 -71.6319 6.9771 -0.530739 10.5067 -0.800903 0.647654 TIMING: 1805000 CPU: 5707.02, 0.00312391/step Wall: 5707.02, 0.00312391/step, 2.77247 hours remaining, 236.558594 MB of memory in use. ENERGY: 1805000 4006.5214 20467.1251 14430.7730 265.4508 -203610.5337 2943.4285 0.0000 0.0000 52082.6305 -109414.6045 299.3196 -161497.2350 -109051.4040 299.0694 170.9653 201.2670 760357.7563 -4.1725 -4.0905 PRESSURE: 1805200 -86.3257 -16.9985 184.117 -16.9978 90.9531 -118.248 184.118 -118.247 33.8381 GPRESSURE: 1805200 -29.4681 -60.5736 176.872 37.4157 74.8172 -88.3198 57.5943 -79.6883 83.791 PRESSAVG: 1805200 11.7708 -88.8852 -5.06774 -88.8853 13.0737 15.5913 -5.06771 15.5913 -6.30159 GPRESSAVG: 1805200 11.9367 -89.5792 -5.02826 -89.8064 13.6689 15.2187 -3.90806 14.0788 -7.03628 TIMING: 1805200 CPU: 5707.65, 0.00313986/step Wall: 5707.65, 0.00313986/step, 2.78645 hours remaining, 236.558594 MB of memory in use. ENERGY: 1805200 3965.4520 20724.8774 14464.0872 236.3890 -203299.1653 2504.3569 0.0000 0.0000 52002.6393 -109401.3634 298.8599 -161404.0027 -109043.9013 299.2934 12.8219 43.0467 761480.2475 6.1809 6.1898 PRESSURE: 1805400 -226.531 -106.58 149.125 -106.58 -372.2 159.454 149.124 159.453 -73.0923 GPRESSURE: 1805400 -199.751 -146.927 144.789 -123.937 -347.379 43.3383 106.161 194.499 -27.1363 PRESSAVG: 1805400 -19.5328 -66.1724 4.97211 -66.1723 8.29551 -35.744 4.97216 -35.7439 -16.4573 GPRESSAVG: 1805400 -18.6881 -65.1252 3.33192 -66.8439 6.80374 -36.7984 5.9053 -32.815 -15.0941 TIMING: 1805400 CPU: 5708.28, 0.00314242/step Wall: 5708.28, 0.00314242/step, 2.78855 hours remaining, 236.558594 MB of memory in use. ENERGY: 1805400 3988.1770 20498.3565 14476.0472 240.2021 -203390.1653 2566.3709 0.0000 0.0000 51932.0178 -109688.9938 298.4540 -161621.0116 -109330.3805 299.1490 -223.9410 -191.4220 761942.7923 -9.2315 -8.9928 PRESSURE: 1805600 -2.44097 -104.146 21.7688 -104.146 229.355 26.4223 21.7674 26.4222 53.8482 GPRESSURE: 1805600 92.7851 -222.656 13.4513 -152.196 137.913 1.08806 -29.0439 190.215 124.792 PRESSAVG: 1805600 15.8278 8.20389 41.614 8.20394 -75.6726 12.1946 41.614 12.1947 5.2721 GPRESSAVG: 1805600 14.5546 7.7546 42.1426 9.72971 -74.2253 12.6922 41.5031 10.669 5.74909 TIMING: 1805600 CPU: 5708.91, 0.00313567/step Wall: 5708.91, 0.00313567/step, 2.78238 hours remaining, 236.558594 MB of memory in use. ENERGY: 1805600 3975.2572 20367.7524 14420.1263 248.0553 -203544.1646 2804.7404 0.0000 0.0000 52311.7831 -109416.4499 300.6365 -161728.2330 -109055.5284 298.5210 93.5874 118.4968 762090.3673 -18.1909 -17.9739 PRESSURE: 1805800 199.822 -20.6424 -45.5103 -20.6422 199.581 32.3369 -45.5112 32.3375 -123.173 GPRESSURE: 1805800 180.621 -136.622 -119.108 -31.1481 240.952 19.5842 -190.974 52.5337 -50.4667 PRESSAVG: 1805800 19.7786 -31.5064 -42.1493 -31.5064 -5.19347 50.0969 -42.1493 50.097 -9.19474 GPRESSAVG: 1805800 19.3635 -32.6657 -41.5239 -30.0007 -6.43865 49.8381 -42.1531 48.9596 -7.65189 TIMING: 1805800 CPU: 5709.54, 0.00314951/step Wall: 5709.54, 0.00314951/step, 2.79449 hours remaining, 236.558594 MB of memory in use. ENERGY: 1805800 3952.2014 20521.6447 14475.7404 241.1709 -203281.8637 2801.2742 0.0000 0.0000 52175.1400 -109114.6921 299.8512 -161289.8321 -108748.3367 299.5671 92.0767 123.7024 762343.4033 1.7968 1.7576 PRESSURE: 1806000 -218.226 -68.4689 -230.743 -68.4675 -134.43 126.065 -230.743 126.064 -52.4302 GPRESSURE: 1806000 -227.504 62.8797 -210.217 -9.97763 -126.738 141.268 -260.24 51.8165 18.6399 PRESSAVG: 1806000 39.9943 -53.3898 -8.09645 -53.3898 -32.1553 -60.9843 -8.09647 -60.9842 -8.52071 GPRESSAVG: 1806000 40.577 -51.0517 -9.16033 -56.4907 -30.837 -61.3917 -9.07348 -61.2281 -10.1429 TIMING: 1806000 CPU: 5710.16, 0.00314183/step Wall: 5710.16, 0.00314183/step, 2.7875 hours remaining, 236.558594 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: 1806000 4016.0264 20673.9129 14452.6229 240.6470 -202792.6782 2345.2175 0.0000 0.0000 51980.1141 -109084.1375 298.7304 -161064.2516 -108732.9196 299.4914 -135.0286 -111.8671 763013.7622 -0.2272 -0.1343 PRESSURE: 1806200 -252.032 -89.9909 120.695 -89.9912 144.517 31.3929 120.696 31.3924 76.4287 GPRESSURE: 1806200 -150.236 -84.4505 199.124 -81.0658 121.908 93.8494 51.2134 36.8152 73.6075 PRESSAVG: 1806200 -6.13892 -40.1671 19.4234 -40.1671 4.07442 36.8347 19.4234 36.8347 -13.9017 GPRESSAVG: 1806200 -5.58634 -40.6706 20.6519 -39.3586 3.65303 37.6894 19.8971 38.0207 -14.5425 TIMING: 1806200 CPU: 5710.79, 0.00314592/step Wall: 5710.79, 0.00314592/step, 2.79095 hours remaining, 236.558594 MB of memory in use. ENERGY: 1806200 3989.3045 20513.6136 14516.0155 255.7427 -203024.5164 2502.8321 0.0000 0.0000 52158.3034 -109088.7046 299.7545 -161247.0080 -108724.7347 300.1657 -10.3621 15.0933 762236.5110 -5.3221 -5.4919 PRESSURE: 1806400 189.444 101.957 55.8258 101.957 -1.99356 179.809 55.8258 179.81 263.937 GPRESSURE: 1806400 168.37 35.177 187.978 171.889 141.011 162.346 22.1643 58.6552 233.182 PRESSAVG: 1806400 14.9089 -50.2522 17.5401 -50.2522 1.43581 -4.17313 17.5401 -4.17313 -6.16747 GPRESSAVG: 1806400 15.0866 -51.4466 16.5637 -48.147 0.74733 -3.91844 17.4992 -4.31334 -6.22534 TIMING: 1806400 CPU: 5711.42, 0.00314163/step Wall: 5711.42, 0.00314163/step, 2.78697 hours remaining, 236.558594 MB of memory in use. ENERGY: 1806400 3955.6245 20584.5402 14476.9571 258.7664 -203399.8071 2705.4814 0.0000 0.0000 52260.2264 -109158.2110 300.3402 -161418.4374 -108791.9469 300.0564 150.4625 180.8542 761307.9514 3.3924 3.2029 PRESSURE: 1806600 45.5486 206.366 -13.6004 206.366 -217.384 -158.663 -13.6003 -158.662 -123.867 GPRESSURE: 1806600 63.3931 185.535 -118.981 150.864 -264.466 -123.695 62.0889 -91.2264 -4.84009 PRESSAVG: 1806600 43.8348 -25.4145 -66.195 -25.4144 -51.2971 23.1928 -66.195 23.1928 -4.16898 GPRESSAVG: 1806600 43.9873 -24.3409 -66.0473 -27.7794 -51.3032 24.0502 -65.1386 22.4944 -4.53846 TIMING: 1806600 CPU: 5712.05, 0.00312873/step Wall: 5712.05, 0.00312873/step, 2.77536 hours remaining, 236.558594 MB of memory in use. ENERGY: 1806600 3926.0905 20461.9711 14541.7826 241.4849 -202842.1392 2424.4560 0.0000 0.0000 52131.1620 -109115.1921 299.5985 -161246.3541 -108745.5656 299.8909 -98.5675 -68.6375 763863.0640 -3.8771 -3.9514 PRESSURE: 1806800 -233.856 74.1037 -370.83 74.105 -125.849 195.971 -370.83 195.971 -136.55 GPRESSURE: 1806800 -193.828 46.3309 -285.731 -25.7616 -174.679 286.786 -533.621 85.5318 -50.8058 PRESSAVG: 1806800 -23.2678 -36.682 -18.1329 -36.6821 -22.8615 91.981 -18.1329 91.981 14.9766 GPRESSAVG: 1806800 -24.0519 -36.3784 -16.3895 -34.8047 -22.5245 89.5244 -17.4016 92.0001 15.6175 TIMING: 1806800 CPU: 5712.67, 0.00313244/step Wall: 5712.67, 0.00313244/step, 2.77848 hours remaining, 236.558594 MB of memory in use. ENERGY: 1806800 4045.9787 20533.8102 14525.6594 228.6263 -203345.2677 2722.7147 0.0000 0.0000 52388.2676 -108900.2109 301.0761 -161288.4785 -108542.1515 300.2918 -165.4182 -139.7709 763514.4863 -10.3842 -10.3196 PRESSURE: 1807000 -42.7563 149.827 117.073 149.828 -53.1017 15.4571 117.073 15.4576 -243.937 GPRESSURE: 1807000 21.2293 110.611 144.921 58.6307 40.6893 -36.7182 58.8828 62.4654 -313.125 PRESSAVG: 1807000 24.3771 -0.363859 -44.8333 -0.36388 13.8527 48.773 -44.8333 48.773 7.61868 GPRESSAVG: 1807000 24.9077 -0.00786984 -46.2544 -3.61211 13.9721 49.0777 -44 49.6477 7.1599 TIMING: 1807000 CPU: 5713.3, 0.00313198/step Wall: 5713.3, 0.00313198/step, 2.77789 hours remaining, 236.558594 MB of memory in use. ENERGY: 1807000 4018.3140 20625.4258 14465.3815 243.3920 -202985.8371 2587.7078 0.0000 0.0000 52120.9929 -108924.6230 299.5401 -161045.6160 -108556.9020 300.0682 -113.2650 -83.7356 763580.3158 15.2828 15.3466 PRESSURE: 1807200 51.9174 197.828 48.2511 197.828 -106.23 -116.952 48.2508 -116.951 396.673 GPRESSURE: 1807200 55.7434 195.763 -2.57948 123.831 -84.0749 6.07812 2.026 -50.9551 450.378 PRESSAVG: 1807200 -61.842 -35.8563 -12.9488 -35.8563 33.3644 27.878 -12.9488 27.878 -5.09748 GPRESSAVG: 1807200 -62.7805 -36.7105 -10.4429 -32.7051 34.3046 28.5369 -18.2382 28.5488 -5.38574 TIMING: 1807200 CPU: 5713.93, 0.00313349/step Wall: 5713.93, 0.00313349/step, 2.77906 hours remaining, 236.558594 MB of memory in use. ENERGY: 1807200 4012.5571 20534.7579 14412.7076 250.2863 -202522.3249 2389.0535 0.0000 0.0000 51965.3475 -108957.6149 298.6456 -160922.9625 -108598.3864 299.5348 114.1199 140.6821 765515.9583 -11.1917 -11.2872 PRESSURE: 1807400 -8.38205 105.366 -132.858 105.367 -220.933 67.2695 -132.858 67.269 -649.846 GPRESSURE: 1807400 38.4729 48.6691 -217.25 23.7453 -162.627 -49.208 -118.548 51.881 -656.116 PRESSAVG: 1807400 -68.7165 -12.1613 -48.8424 -12.1613 40.7035 28.7432 -48.8424 28.7432 -22.1398 GPRESSAVG: 1807400 -68.9076 -10.3245 -51.7231 -15.094 40.8992 29.2281 -43.6821 27.6209 -22.4711 TIMING: 1807400 CPU: 5714.55, 0.00313742/step Wall: 5714.55, 0.00313742/step, 2.78237 hours remaining, 236.558594 MB of memory in use. ENERGY: 1807400 4074.1121 20576.0801 14427.4517 250.6058 -203035.0391 2373.7204 0.0000 0.0000 52401.3945 -108931.6745 301.1515 -161333.0690 -108566.5124 299.4537 -293.0537 -260.0900 763313.4868 -16.7176 -16.8265 PRESSURE: 1807600 12.0596 -191.866 -160.69 -191.865 -368.966 -226.784 -160.69 -226.784 -15.3605 GPRESSURE: 1807600 13.1802 -188.259 -244.229 -147.483 -288.904 -185.087 -200.801 -219.363 -13.7492 PRESSAVG: 1807600 -29.2585 -64.3845 22.5378 -64.3845 50.4663 28.7588 22.5378 28.7587 4.6074 GPRESSAVG: 1807600 -28.738 -67.0396 24.2588 -63.8465 49.0405 28.5198 19.6105 27.4175 5.88517 TIMING: 1807600 CPU: 5715.18, 0.00314206/step Wall: 5715.18, 0.00314206/step, 2.78631 hours remaining, 236.773438 MB of memory in use. ENERGY: 1807600 3944.1454 20527.0931 14587.0388 229.8048 -203145.6701 2792.0894 0.0000 0.0000 52102.8732 -108962.6255 299.4359 -161065.4987 -108600.2944 300.2593 -124.0889 -96.4909 763306.3299 8.6051 8.7293 PRESSURE: 1807800 159.14 9.715 263.509 9.71464 -88.3812 -216.254 263.509 -216.255 202.05 GPRESSURE: 1807800 161.884 -3.44965 148.266 60.0743 -46.2854 -152.435 152.87 -115.732 239.568 PRESSAVG: 1807800 -18.7055 -43.8192 22.0401 -43.8192 43.8854 -50.6967 22.0401 -50.6967 -30.2426 GPRESSAVG: 1807800 -20.2175 -43.6722 21.8546 -44.7385 45.1097 -49.3963 22.186 -51.4787 -29.6356 TIMING: 1807800 CPU: 5715.81, 0.00314594/step Wall: 5715.81, 0.00314594/step, 2.78957 hours remaining, 236.773438 MB of memory in use. ENERGY: 1807800 3971.2649 20403.0873 14522.9186 229.9124 -202810.6045 2634.5166 0.0000 0.0000 52208.8235 -108840.0811 300.0448 -161048.9047 -108479.0292 299.4170 90.9365 118.3889 763980.1994 -1.6876 -1.5811 PRESSURE: 1808000 -73.0586 -0.857606 202.151 -0.856752 -35.519 129.36 202.152 129.36 354.238 GPRESSURE: 1808000 -44.4044 -40.1058 134.61 -138.31 -21.057 85.439 88.2255 6.19351 395.261 PRESSAVG: 1808000 -20.0809 16.9028 35.3631 16.9029 24.2341 -18.5495 35.3631 -18.5495 -12.8929 GPRESSAVG: 1808000 -18.7423 17.1477 35.2666 18.9601 24.0956 -20.6211 34.3853 -18.7608 -13.974 TIMING: 1808000 CPU: 5716.45, 0.00316769/step Wall: 5716.45, 0.00316769/step, 2.80868 hours remaining, 236.773438 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: 1808000 3954.1594 20689.2071 14529.8098 246.3122 -203324.9065 2830.7402 0.0000 0.0000 52160.6760 -108914.0019 299.7681 -161074.6779 -108559.6354 299.5474 81.8869 109.9333 762943.6560 -2.9132 -2.8736 PRESSURE: 1808200 -169.614 -255.833 -98.6421 -255.834 -161.714 15.6518 -98.6408 15.652 -61.7514 GPRESSURE: 1808200 -29.9429 -193.351 -162.379 -337.002 -214.36 34.6254 -13.632 18.1002 -95.3917 PRESSAVG: 1808200 -10.4425 -66.321 -16.5106 -66.321 20.8888 -23.9113 -16.5106 -23.9113 26.6906 GPRESSAVG: 1808200 -11.2489 -66.3542 -17.3097 -67.6664 21.417 -20.4778 -14.3861 -23.1567 27.0953 TIMING: 1808200 CPU: 5717.08, 0.00316783/step Wall: 5717.08, 0.00316783/step, 2.80863 hours remaining, 236.773438 MB of memory in use. ENERGY: 1808200 3972.1145 20604.9358 14514.3821 273.2231 -202762.7244 2339.2492 0.0000 0.0000 52210.8109 -108848.0088 300.0562 -161058.8197 -108494.3743 300.5064 -131.0265 -113.2316 763190.1965 12.3790 12.4211 LDB: ============= START OF LOAD BALANCING ============== 5729.61 LDB: ============== END OF LOAD BALANCING =============== 5729.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5729.61 LDB: ============= START OF LOAD BALANCING ============== 5729.93 LDB: Largest compute 7032 load 0.029621 is 15.2% of average load 0.195404 LDB: Average compute 0.004389 is 2.2% of average load 0.195404 LDB: TIME 5729.93 LOAD: AVG 0.195404 MAX 0.214817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 5729.93 LOAD: AVG 0.195404 MAX 0.214817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 5729.93 LOAD: AVG 0.195404 MAX 0.214817 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 5729.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5729.94 PRESSURE: 1808400 -287.371 -258.491 38.8738 -258.491 87.5778 -36.1754 38.8732 -36.1757 -318.141 GPRESSURE: 1808400 -184.976 -165.906 76.9186 -301.095 38.2073 6.5151 63.2254 -98.7857 -287.619 PRESSAVG: 1808400 -69.6985 -58.7311 4.89539 -58.7311 40.0206 15.5012 4.89542 15.5011 -13.5632 GPRESSAVG: 1808400 -69.5543 -58.2042 3.70645 -56.8756 39.2287 13.435 4.80558 15.6986 -12.5284 TIMING: 1808400 CPU: 5717.72, 0.00321596/step Wall: 5717.72, 0.00321596/step, 2.85113 hours remaining, 234.882812 MB of memory in use. ENERGY: 1808400 3951.3611 20525.0280 14486.2094 253.0489 -203042.5298 2756.6721 0.0000 0.0000 52235.0807 -108835.1298 300.1957 -161070.2105 -108476.5624 300.0741 -172.6447 -144.7959 762518.7964 -14.4137 -14.2846 PRESSURE: 1808600 15.7539 -123.258 -12.3623 -123.258 -102.536 44.9766 -12.3631 44.9776 82.7081 GPRESSURE: 1808600 62.8884 -137.538 -84.6071 -24.0037 -64.709 50.5002 -90.3667 110.452 92.5185 PRESSAVG: 1808600 7.35024 -86.1516 -41.6222 -86.1516 13.5342 3.28681 -41.6221 3.28685 3.89192 GPRESSAVG: 1808600 9.46794 -85.2768 -40.2813 -86.2949 14.0839 4.01846 -40.579 5.72024 1.49619 TIMING: 1808600 CPU: 5718.35, 0.00314378/step Wall: 5718.35, 0.00314378/step, 2.78696 hours remaining, 235.289062 MB of memory in use. ENERGY: 1808600 4025.0690 20341.9076 14468.4920 244.3750 -202813.2090 2660.9588 0.0000 0.0000 52293.4338 -108778.9728 300.5311 -161072.4066 -108420.2956 299.8433 -1.3580 30.2326 763158.0066 8.2588 8.3493 PRESSURE: 1808800 121.276 -217.795 -278.943 -217.794 -467.675 -33.6205 -278.942 -33.6206 -442.646 GPRESSURE: 1808800 26.7214 -286.401 -129.933 -237.644 -331.859 -51.8248 -245.416 75.0013 -404.457 PRESSAVG: 1808800 3.43654 -9.87541 8.31057 -9.87547 11.0458 15.6635 8.3105 15.6635 0.906426 GPRESSAVG: 1808800 2.07528 -11.7165 10.2313 -10.4904 10.3547 13.4512 8.64075 13.8151 3.17765 TIMING: 1808800 CPU: 5718.98, 0.00316218/step Wall: 5718.98, 0.00316218/step, 2.8031 hours remaining, 235.289062 MB of memory in use. ENERGY: 1808800 4080.0758 20474.5199 14537.2616 244.9734 -202361.1372 2116.8906 0.0000 0.0000 52041.4320 -108865.9838 299.0828 -160907.4158 -108500.4004 299.5560 -263.0150 -236.5313 763199.3900 5.1296 5.2026 PRESSURE: 1809000 -123.626 -27.6992 63.8787 -27.6995 -138.061 178.617 63.8782 178.618 -7.21388 GPRESSURE: 1809000 -165.128 -8.27671 102.726 -34.8372 -111.993 138.319 31.1136 184.304 96.1183 PRESSAVG: 1809000 19.7914 -28.9928 0.643958 -28.9927 -11.8748 85.2957 0.643951 85.2958 6.51474 GPRESSAVG: 1809000 18.6554 -29.7719 0.544894 -30.6687 -10.3045 85.3917 1.04482 86.3555 6.00349 TIMING: 1809000 CPU: 5719.62, 0.00318268/step Wall: 5719.62, 0.00318268/step, 2.82109 hours remaining, 235.289062 MB of memory in use. ENERGY: 1809000 4037.8678 20432.0336 14584.1233 242.5149 -203064.3427 2712.8553 0.0000 0.0000 52161.9346 -108893.0133 299.7754 -161054.9478 -108533.2450 299.9108 -89.6339 -60.3341 762780.9987 4.8104 4.7848 PRESSURE: 1809200 213.872 27.5022 -131.286 27.5022 91.2186 60.0598 -131.285 60.0603 -4.49786 GPRESSURE: 1809200 285.328 -15.1031 -228.145 17.8354 106.875 81.0033 -193.005 52.4824 -9.2784 PRESSAVG: 1809200 -15.9922 -42.9056 -6.82903 -42.9056 -6.43935 41.4022 -6.82907 41.4022 10.7428 GPRESSAVG: 1809200 -14.9574 -41.4025 -7.39138 -40.8246 -7.56535 44.175 -9.48273 41.9941 11.2468 TIMING: 1809200 CPU: 5720.25, 0.00316303/step Wall: 5720.25, 0.00316303/step, 2.8035 hours remaining, 235.289062 MB of memory in use. ENERGY: 1809200 3920.7873 20374.7948 14570.3046 262.8089 -203208.1926 2729.0419 0.0000 0.0000 52185.8021 -109164.6530 299.9125 -161350.4551 -108797.1323 299.5513 100.1975 127.6414 762309.9815 -3.8963 -3.7587 PRESSURE: 1809400 -90.4603 -89.6922 203.653 -89.6917 67.5697 -6.75877 203.653 -6.75682 239.305 GPRESSURE: 1809400 -41.1342 -149.404 167.193 -76.4354 137.062 55.6967 241.077 21.7675 210.758 PRESSAVG: 1809400 13.4124 -59.5239 5.45473 -59.5238 1.86498 50.9585 5.45476 50.9586 10.1111 GPRESSAVG: 1809400 14.6527 -58.6415 4.98269 -59.5089 2.13631 49.0742 6.13796 50.433 9.09962 TIMING: 1809400 CPU: 5720.88, 0.00313822/step Wall: 5720.88, 0.00313822/step, 2.78133 hours remaining, 235.289062 MB of memory in use. ENERGY: 1809400 3996.0251 20377.0301 14553.2821 233.7639 -203385.1896 2687.6873 0.0000 0.0000 52242.3712 -109295.0299 300.2376 -161537.4011 -108933.5934 299.5516 72.1381 102.2289 760421.8711 8.4628 8.6296 PRESSURE: 1809600 -222.163 -19.0341 194.773 -19.0338 217.594 3.08287 194.774 3.08197 239.559 GPRESSURE: 1809600 -126.178 48.249 204.462 35.601 162.29 -35.2092 306.612 94.9982 268.077 PRESSAVG: 1809600 -18.4638 -49.6317 31.3506 -49.6317 1.99963 23.2121 31.3506 23.212 -10.7652 GPRESSAVG: 1809600 -19.5215 -48.9678 31.9594 -50.8922 2.82793 22.976 32.2355 22.5866 -10.636 TIMING: 1809600 CPU: 5721.51, 0.00316131/step Wall: 5721.51, 0.00316131/step, 2.80162 hours remaining, 235.289062 MB of memory in use. ENERGY: 1809600 4015.1071 20422.5883 14490.7031 248.4856 -203636.1468 2786.4311 0.0000 0.0000 52297.4908 -109375.3409 300.5544 -161672.8316 -109016.4782 299.3925 78.3302 101.3962 761742.9312 -9.0765 -9.1098 PRESSURE: 1809800 -14.2582 -355.154 50.746 -355.154 -203.528 -65.0585 50.7459 -65.0593 -293.101 GPRESSURE: 1809800 11.359 -259.753 9.15564 -234.966 -200.254 -91.6505 199.751 -112.67 -251.173 PRESSAVG: 1809800 -15.5215 -4.08195 3.81428 -4.08195 -42.0984 6.56584 3.81427 6.56582 12.5343 GPRESSAVG: 1809800 -15.1913 -6.06982 2.12858 -2.11067 -42.8528 6.29046 4.49204 6.0085 12.874 TIMING: 1809800 CPU: 5722.14, 0.00314834/step Wall: 5722.14, 0.00314834/step, 2.78995 hours remaining, 235.289062 MB of memory in use. ENERGY: 1809800 4048.1653 20333.8205 14465.4101 236.9546 -203345.6593 2725.2817 0.0000 0.0000 51811.2651 -109724.7619 297.7601 -161536.0270 -109362.1494 298.9633 -170.2957 -146.6893 763784.5158 -15.0285 -15.0567 PRESSURE: 1810000 214.482 127.775 -269.996 127.774 162.667 241.99 -269.996 241.99 269.962 GPRESSURE: 1810000 171.012 -72.9607 -236.182 53.0356 239.314 165.627 -289.235 321.211 329.167 PRESSAVG: 1810000 28.554 -36.4929 -0.595084 -36.4929 -32.8269 -13.9492 -0.595056 -13.9492 -7.57069 GPRESSAVG: 1810000 28.0264 -35.3423 0.531895 -39.3331 -31.7331 -12.2953 -1.93682 -16.9862 -7.33265 TIMING: 1810000 CPU: 5722.77, 0.00314809/step Wall: 5722.77, 0.00314809/step, 2.78956 hours remaining, 235.289062 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: 1810000 4059.0929 20591.8407 14493.6484 241.6838 -203749.5271 2973.5165 0.0000 0.0000 51946.0082 -109443.7367 298.5344 -161389.7449 -109083.9699 298.4089 215.7038 246.4976 761437.7256 -3.9479 -3.6798 PRESSURE: 1810200 -148.29 138.037 16.2131 138.037 -197.656 -83.2348 16.2129 -83.2359 -200.616 GPRESSURE: 1810200 -139.924 90.6269 -21.2115 75.1029 -143.375 -171.83 61.0007 74.0542 -185.796 PRESSAVG: 1810200 -15.8204 -32.7955 -38.7507 -32.7955 1.01026 12.9826 -38.7507 12.9826 33.1307 GPRESSAVG: 1810200 -15.812 -32.8089 -38.7622 -32.3783 -0.516497 13.5176 -37.4367 15.894 33.4257 TIMING: 1810200 CPU: 5723.4, 0.0031557/step Wall: 5723.4, 0.0031557/step, 2.79612 hours remaining, 235.289062 MB of memory in use. ENERGY: 1810200 4003.9645 20560.5380 14509.1682 240.1876 -203523.6237 2714.0117 0.0000 0.0000 52073.6233 -109422.1304 299.2678 -161495.7537 -109062.3840 298.9097 -182.1874 -156.3650 764435.4163 6.1068 5.6991 PRESSURE: 1810400 -247.187 38.6319 -16.7305 38.6314 -209.801 28.3857 -16.7305 28.3856 339.036 GPRESSURE: 1810400 -176.722 49.8014 -82.2202 162.939 -157.986 48.2525 -17.3842 -6.36607 327.31 PRESSAVG: 1810400 3.05959 -19.2848 22.2269 -19.2849 -4.44913 -2.59619 22.227 -2.59621 3.65175 GPRESSAVG: 1810400 4.36924 -19.7535 23.4628 -19.0851 -4.46203 -2.78301 18.2546 -1.81348 2.19388 TIMING: 1810400 CPU: 5724.03, 0.00314465/step Wall: 5724.03, 0.00314465/step, 2.78616 hours remaining, 235.289062 MB of memory in use. ENERGY: 1810400 3982.8809 20405.1932 14455.8120 260.9890 -203426.6467 2841.5504 0.0000 0.0000 52011.6135 -109468.6077 298.9115 -161480.2212 -109106.1978 298.6945 -39.3174 -2.4662 762943.8515 0.7541 0.7004 PRESSURE: 1810600 298.673 93.0294 -55.8447 93.0298 -168.658 -19.3669 -55.8455 -19.3667 40.4543 GPRESSURE: 1810600 221.627 117.947 -78.8968 25.1876 -80.8803 -87.1434 -46.3715 -18.0026 137.639 PRESSAVG: 1810600 25.1663 24.1673 29.3684 24.1673 -22.8664 -1.62344 29.3684 -1.62341 -12.6371 GPRESSAVG: 1810600 24.2144 24.9874 28.1481 23.7044 -22.7411 -1.27334 31.9309 -2.17973 -12.5448 TIMING: 1810600 CPU: 5724.66, 0.00314763/step Wall: 5724.66, 0.00314763/step, 2.78862 hours remaining, 235.289062 MB of memory in use. ENERGY: 1810600 4008.1154 20594.1228 14466.1563 244.3088 -203588.2162 3020.2158 0.0000 0.0000 51781.0684 -109474.2286 297.5865 -161255.2971 -109127.5708 298.4815 56.8230 92.7950 763418.0031 -3.4457 -3.6905 PRESSURE: 1810800 -185.744 -63.9217 192.109 -63.9231 -18.732 200.846 192.109 200.846 272.299 GPRESSURE: 1810800 -171.69 -91.0197 200.77 -88.4739 28.1584 248.618 264.579 197.091 281.001 PRESSAVG: 1810800 -9.40607 -18.4843 -40.4851 -18.4843 0.641262 -32.0204 -40.4852 -32.0204 -14.4801 GPRESSAVG: 1810800 -10.8783 -20.8157 -40.1677 -17.3418 0.440544 -32.3159 -40.07 -31.5136 -12.9775 TIMING: 1810800 CPU: 5725.29, 0.00313475/step Wall: 5725.29, 0.00313475/step, 2.77704 hours remaining, 235.289062 MB of memory in use. ENERGY: 1810800 3973.4877 20700.6062 14485.7405 249.0947 -203558.0985 2890.2262 0.0000 0.0000 52042.1542 -109216.7889 299.0870 -161258.9431 -108850.5225 298.4736 22.6075 45.8232 763658.7816 -7.7483 -7.8051 PRESSURE: 1811000 121.674 -116.941 144.056 -116.94 8.33972 85.1991 144.056 85.1985 478.974 GPRESSURE: 1811000 127.098 -31.8166 175.529 56.1444 109.942 19.9003 158.079 -3.64266 442.232 PRESSAVG: 1811000 32.53 0.087043 13.32 0.0871019 2.82233 24.8488 13.32 24.8487 -2.2894 GPRESSAVG: 1811000 33.2461 2.62271 12.4403 1.52343 2.93262 22.7997 11.9956 24.096 -3.29003 TIMING: 1811000 CPU: 5725.92, 0.00314055/step Wall: 5725.92, 0.00314055/step, 2.782 hours remaining, 235.289062 MB of memory in use. ENERGY: 1811000 4015.6526 20691.1097 14467.7927 264.9366 -203488.6394 2898.5374 0.0000 0.0000 52255.5385 -108895.0719 300.3133 -161150.6104 -108514.2620 299.9364 202.9959 226.4239 762599.0732 11.0210 10.9629 PRESSURE: 1811200 1.04585 -55.078 127.828 -55.0788 -56.7699 27.3402 127.828 27.3403 -70.5689 GPRESSURE: 1811200 -25.6011 -60.0509 85.9383 -113.983 -56.3062 -58.6002 44.5837 142.627 8.71758 PRESSAVG: 1811200 -6.27189 -40.725 25.1725 -40.7249 -25.6409 61.518 25.1725 61.518 -5.60154 GPRESSAVG: 1811200 -6.73401 -40.3502 23.5493 -41.8675 -24.7451 61.5456 27.1859 60.6017 -6.08996 TIMING: 1811200 CPU: 5726.55, 0.00314292/step Wall: 5726.55, 0.00314292/step, 2.78393 hours remaining, 235.289062 MB of memory in use. ENERGY: 1811200 4130.0776 20633.0984 14507.9782 243.5191 -203489.0309 2851.8559 0.0000 0.0000 52430.8831 -108691.6185 301.3210 -161122.5017 -108333.0930 300.4972 -42.0977 -24.3966 763746.8455 -12.5048 -12.5230 PRESSURE: 1811400 -161.388 -1.61889 26.1689 -1.61926 -99.4409 -262.459 26.1694 -262.46 -167.418 GPRESSURE: 1811400 -84.32 25.4942 94.4259 58.9841 -187.131 -201.123 29.4481 -185.125 -77.9494 PRESSAVG: 1811400 21.9538 -53.0209 16.4013 -53.0209 -19.052 -16.754 16.4013 -16.754 12.4536 GPRESSAVG: 1811400 22.5713 -54.6268 17.1094 -51.7968 -21.2293 -16.2008 15.5758 -16.4027 13.8262 TIMING: 1811400 CPU: 5727.17, 0.00313286/step Wall: 5727.17, 0.00313286/step, 2.77484 hours remaining, 235.289062 MB of memory in use. ENERGY: 1811400 4003.2298 20657.3799 14483.5065 246.5501 -203289.9457 2787.2896 0.0000 0.0000 52293.8226 -108818.1672 300.5333 -161111.9897 -108453.8002 300.0801 -142.7490 -116.4666 763214.4639 5.1185 5.0561 PRESSURE: 1811600 81.4957 -195.672 -117.639 -195.673 2.46419 -25.8611 -117.64 -25.8609 -36.249 GPRESSURE: 1811600 7.68116 -259.698 -50.8368 -133.775 131.544 45.3879 -105.122 21.1232 20.1319 PRESSAVG: 1811600 -34.5704 -7.4889 -45.4235 -7.489 26.7533 10.8794 -45.4235 10.8794 19.8842 GPRESSAVG: 1811600 -35.3563 -7.98603 -44.2325 -8.57836 29.5007 11.1428 -45.238 11.9308 18.368 TIMING: 1811600 CPU: 5727.8, 0.0031439/step Wall: 5727.8, 0.0031439/step, 2.78445 hours remaining, 235.289062 MB of memory in use. ENERGY: 1811600 4009.7524 20680.3190 14610.8283 233.6072 -203678.6937 3139.2703 0.0000 0.0000 52169.8883 -108835.0281 299.8211 -161004.9164 -108470.5990 300.3187 15.9036 53.1192 760902.7387 4.0224 4.1708 PRESSURE: 1811800 -114.319 -129.219 126.986 -129.219 301.658 -152.55 126.987 -152.55 -107.992 GPRESSURE: 1811800 -112.268 -99.2083 172.345 -132.889 352.942 -208.997 113.891 -203.343 -76.8069 PRESSAVG: 1811800 -22.7978 5.50863 -5.6446 5.50861 78.7736 44.7511 -5.64452 44.7511 -19.8551 GPRESSAVG: 1811800 -24.2041 6.69875 -5.57021 3.30923 77.4863 46.0779 -8.29016 44.7695 -18.0106 TIMING: 1811800 CPU: 5728.43, 0.00314034/step Wall: 5728.43, 0.00314034/step, 2.78112 hours remaining, 235.289062 MB of memory in use. ENERGY: 1811800 3946.3252 20572.7083 14608.5710 251.7267 -203138.9994 2538.3260 0.0000 0.0000 52177.2883 -109044.0539 299.8636 -161221.3422 -108671.2134 300.1086 26.4487 54.6224 762436.2185 12.0402 11.7572 PRESSURE: 1812000 211.201 -65.5694 -182.155 -65.5699 78.7451 -150.702 -182.156 -150.702 234.731 GPRESSURE: 1812000 188.241 -58.7716 -192.155 74.9929 149.027 -106.478 -223.936 -243.469 272.973 PRESSAVG: 1812000 -53.5994 -0.703062 -41.0506 -0.70309 51.1749 -43.5705 -41.0505 -43.5706 0.965911 GPRESSAVG: 1812000 -52.0216 -0.822049 -42.416 0.308183 50.6528 -45.3892 -37.3595 -42.9985 -0.687621 TIMING: 1812000 CPU: 5729.06, 0.00315233/step Wall: 5729.06, 0.00315233/step, 2.79157 hours remaining, 235.289062 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: 1812000 4035.2270 20701.2627 14517.7770 238.2490 -203018.1581 2797.9966 0.0000 0.0000 51864.5257 -108863.1199 298.0661 -160727.6457 -108494.2868 299.9228 174.8922 203.4140 762848.9824 -0.4862 -0.6855 PRESSURE: 1812200 -192.133 -103.46 -34.9632 -103.46 -95.9252 106.713 -34.9632 106.714 274.226 GPRESSURE: 1812200 -148.759 -95.5982 -120.135 -89.6816 20.2262 59.6332 123.97 180.658 204.386 PRESSAVG: 1812200 -77.411 -31.7281 -14.3712 -31.7281 70.0501 3.62668 -14.3712 3.62679 2.87164 GPRESSAVG: 1812200 -78.3379 -30.4571 -15.1499 -31.5633 70.5308 3.48127 -14.1317 2.34384 3.12007 TIMING: 1812200 CPU: 5729.69, 0.00314133/step Wall: 5729.69, 0.00314133/step, 2.78165 hours remaining, 235.289062 MB of memory in use. ENERGY: 1812200 3956.1756 20642.6835 14605.9893 235.4210 -202911.6965 2446.5850 0.0000 0.0000 52178.0291 -108846.8129 299.8679 -161024.8420 -108491.4458 299.7199 -4.6109 25.2844 762259.3031 -1.4964 -1.5623 LDB: ============= START OF LOAD BALANCING ============== 5742.22 LDB: ============== END OF LOAD BALANCING =============== 5742.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5742.22 LDB: ============= START OF LOAD BALANCING ============== 5742.54 LDB: Largest compute 7032 load 0.029549 is 15.1% of average load 0.195521 LDB: Average compute 0.004372 is 2.2% of average load 0.195521 LDB: TIME 5742.54 LOAD: AVG 0.195521 MAX 0.214635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 5742.54 LOAD: AVG 0.195521 MAX 0.214635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.203 MB LDB: TIME 5742.54 LOAD: AVG 0.195521 MAX 0.214635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.203 MB LDB: ============== END OF LOAD BALANCING =============== 5742.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5742.55 PRESSURE: 1812400 -387.897 -109.86 -109.385 -109.86 -67.8552 237.22 -109.386 237.221 146.307 GPRESSURE: 1812400 -327.404 -223.935 -72.8862 -16.4073 -21.4654 245.763 -8.69682 113.71 115.041 PRESSAVG: 1812400 -39.5021 -33.8369 -45.9432 -33.8369 58.9833 -4.40905 -45.9432 -4.40909 -15.4002 GPRESSAVG: 1812400 -38.9007 -35.179 -44.596 -33.523 58.7184 -1.62806 -46.7194 -2.81228 -15.311 TIMING: 1812400 CPU: 5730.33, 0.00321074/step Wall: 5730.33, 0.00321074/step, 2.84293 hours remaining, 236.933594 MB of memory in use. ENERGY: 1812400 3972.1343 20595.2032 14482.9001 244.1666 -202970.9501 2626.3625 0.0000 0.0000 51965.4737 -109084.7096 298.6463 -161050.1834 -108720.2216 299.5008 -103.1486 -77.9426 763778.7186 1.3603 1.5022 PRESSURE: 1812600 -4.77439 44.8249 -58.1456 44.824 -326.363 -25.8758 -58.1464 -25.8758 -138.231 GPRESSURE: 1812600 36.5276 13.9852 5.88189 -81.9182 -293.592 -13.7685 -4.33847 30.2032 -130.213 PRESSAVG: 1812600 -8.14372 -42.4219 18.868 -42.4219 -27.3516 40.8317 18.8681 40.8318 18.2136 GPRESSAVG: 1812600 -8.66791 -42.5524 18.8327 -44.1846 -27.1097 38.2172 19.8209 41.704 18.5139 TIMING: 1812600 CPU: 5730.96, 0.00312976/step Wall: 5730.96, 0.00312976/step, 2.77105 hours remaining, 236.933594 MB of memory in use. ENERGY: 1812600 4083.4107 20583.0576 14481.9584 228.1785 -203445.6660 2762.8582 0.0000 0.0000 52050.7740 -109255.4286 299.1365 -161306.2026 -108893.9015 299.1532 -156.4563 -129.0925 764942.7610 -5.7606 -5.7546 PRESSURE: 1812800 36.0392 -38.9011 18.5287 -38.9006 -249.964 118.92 18.5287 118.919 -6.72838 GPRESSURE: 1812800 94.5696 70.5217 6.42643 -0.912557 -190.596 188.628 -78.5218 223.38 -36.398 PRESSAVG: 1812800 -33.3011 -36.082 5.17065 -36.082 48.3082 -43.9981 5.17064 -43.9981 22.3084 GPRESSAVG: 1812800 -31.9741 -36.4399 5.08371 -35.2401 47.2121 -42.4435 2.72868 -46.8774 21.3053 TIMING: 1812800 CPU: 5731.58, 0.00314476/step Wall: 5731.58, 0.00314476/step, 2.78416 hours remaining, 236.933594 MB of memory in use. ENERGY: 1812800 3991.6907 20665.9778 14494.5969 236.7732 -203541.2715 2858.6579 0.0000 0.0000 52161.2637 -109132.3113 299.7715 -161293.5750 -108771.1176 299.3938 -73.5512 -44.1414 763566.4627 12.4385 12.1811 PRESSURE: 1813000 -175.988 -81.2278 -38.2772 -81.2267 20.3912 -69.9505 -38.2775 -69.9513 -400.04 GPRESSURE: 1813000 -132.485 -50.5679 5.8435 -154.527 -29.5105 -101.393 -55.7976 -64.8119 -330.197 PRESSAVG: 1813000 3.19819 -25.1268 11.8933 -25.1268 1.49683 -6.56048 11.8933 -6.56049 -4.43197 GPRESSAVG: 1813000 3.67623 -25.123 12.4184 -24.7697 1.36808 -5.96339 14.2107 -5.3538 -5.1599 TIMING: 1813000 CPU: 5732.21, 0.00312975/step Wall: 5732.21, 0.00312975/step, 2.7707 hours remaining, 236.933594 MB of memory in use. ENERGY: 1813000 4016.2099 20514.2201 14502.6518 255.1148 -203243.8019 2681.8278 0.0000 0.0000 52021.8805 -109251.8970 298.9705 -161273.7775 -108888.7180 299.5718 -185.2121 -164.0644 762707.2948 0.0877 -0.0385 PRESSURE: 1813200 -103.188 -161.552 -139.224 -161.551 61.466 102.473 -139.223 102.474 54.7618 GPRESSURE: 1813200 -8.39584 -115.245 -234.867 -107.72 50.8756 59.3599 -69.7003 178.021 54.0893 PRESSAVG: 1813200 -30.0053 -26.0315 -4.69897 -26.0315 54.2172 -5.33643 -4.69896 -5.3364 -9.30744 GPRESSAVG: 1813200 -30.3216 -25.6617 -6.43718 -26.6122 54.0076 -6.40204 -5.01194 -2.59913 -8.66801 TIMING: 1813200 CPU: 5732.84, 0.00312997/step Wall: 5732.84, 0.00312997/step, 2.77072 hours remaining, 236.933594 MB of memory in use. ENERGY: 1813200 3984.7780 20637.5176 14523.6469 256.0407 -203907.0410 3035.6383 0.0000 0.0000 52197.8712 -109271.5483 299.9819 -161469.4195 -108899.1664 299.3374 4.3467 32.1897 762471.3709 4.9681 5.0060 PRESSURE: 1813400 -143.439 -130.194 28.2932 -130.194 -167.049 -116.841 28.2932 -116.842 -34.3334 GPRESSURE: 1813400 -39.374 -119.555 33.195 -118.647 -173.963 -140.513 -94.648 -17.6413 -30.9997 PRESSAVG: 1813400 -8.56052 -102.787 -8.88984 -102.787 18.7022 28.1758 -8.88988 28.1758 -0.742948 GPRESSAVG: 1813400 -8.93494 -102.078 -6.35522 -102.9 18.2399 27.338 -9.88761 26.2508 0.0175575 TIMING: 1813400 CPU: 5733.46, 0.00313581/step Wall: 5733.46, 0.00313581/step, 2.77571 hours remaining, 236.933594 MB of memory in use. ENERGY: 1813400 3981.0681 20760.9196 14480.3915 270.3943 -203521.4012 2713.5723 0.0000 0.0000 52191.0039 -109124.0515 299.9424 -161315.0555 -108752.9082 300.2661 -114.9404 -81.4455 764599.1965 3.1329 3.1075 PRESSURE: 1813600 -35.6402 -153.158 -25.4691 -153.158 173.868 49.2435 -25.4683 49.243 72.8073 GPRESSURE: 1813600 22.4226 -142.748 -25.8831 -137.644 149.581 29.4028 -69.4067 33.0929 139.037 PRESSAVG: 1813600 -128.324 -65.1991 -30.601 -65.1991 55.2962 -3.17391 -30.6011 -3.17389 -19.6966 GPRESSAVG: 1813600 -128.93 -65.8204 -31.8503 -63.5832 55.7682 -2.23365 -30.4355 -3.76417 -18.9412 TIMING: 1813600 CPU: 5734.09, 0.00315304/step Wall: 5734.09, 0.00315304/step, 2.79079 hours remaining, 236.933594 MB of memory in use. ENERGY: 1813600 4045.1838 20777.5560 14450.7648 248.6806 -203871.8339 3009.5641 0.0000 0.0000 52245.8376 -109094.2470 300.2575 -161340.0846 -108717.8697 299.7664 70.3450 103.6802 762410.8913 -30.9082 -30.7009 PRESSURE: 1813800 -303.665 165.12 251.27 165.12 -371.225 -0.247696 251.27 -0.247402 -284.799 GPRESSURE: 1813800 -182.024 49.3115 215.231 59.1875 -410.915 -44.6158 192.476 130.991 -283.381 PRESSAVG: 1813800 -29.2164 -27.5938 -12.6657 -27.5938 35.8027 22.6622 -12.6658 22.6622 -15.1327 GPRESSAVG: 1813800 -28.5207 -26.5441 -12.172 -29.4277 35.9418 23.6669 -12.3719 23.2387 -16.2023 TIMING: 1813800 CPU: 5734.72, 0.00314841/step Wall: 5734.72, 0.00314841/step, 2.78652 hours remaining, 236.933594 MB of memory in use. ENERGY: 1813800 4053.0201 20582.7473 14579.8869 250.5079 -202870.6090 2359.7104 0.0000 0.0000 52109.8814 -108934.8550 299.4762 -161044.7364 -108571.7905 299.9194 -319.8964 -292.1065 764435.0212 -2.8488 -2.9271 PRESSURE: 1814000 -366.945 -81.5149 -39.0195 -81.5156 174.734 -168.769 -39.0196 -168.769 26.5663 GPRESSURE: 1814000 -280.215 -142.26 -23.9022 -21.6198 217.394 -139.255 -52.8869 -198.519 -12.2506 PRESSAVG: 1814000 -58.5587 -20.2286 -2.31999 -20.2286 21.5677 43.5417 -2.32003 43.5418 -13.4975 GPRESSAVG: 1814000 -59.0696 -21.8963 -4.04223 -18.0015 22.4804 41.9877 -6.02372 44.1099 -14.1793 TIMING: 1814000 CPU: 5735.35, 0.00314246/step Wall: 5735.35, 0.00314246/step, 2.78107 hours remaining, 236.933594 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: 1814000 3956.0408 20717.3809 14509.8102 249.1818 -203191.1174 2612.2260 0.0000 0.0000 52207.3920 -108939.0858 300.0366 -161146.4778 -108576.4007 300.1352 -55.2149 -25.0239 764640.9231 -16.8295 -16.9228 PRESSURE: 1814200 12.4926 -88.7452 101.017 -88.7451 69.9101 -10.0917 101.018 -10.0914 24.646 GPRESSURE: 1814200 109.94 -141.556 32.3813 -53.366 44.9184 33.8459 174.238 -45.3018 40.1164 PRESSAVG: 1814200 -58.4111 -41.6971 -42.1697 -41.6971 -0.0357593 44.6545 -42.1697 44.6543 5.39688 GPRESSAVG: 1814200 -57.2599 -41.0673 -41.8857 -41.5618 -1.21628 45.2717 -35.2066 44.1927 5.81141 TIMING: 1814200 CPU: 5735.98, 0.00313644/step Wall: 5735.98, 0.00313644/step, 2.77557 hours remaining, 236.933594 MB of memory in use. ENERGY: 1814200 4033.3599 20631.0741 14516.9438 233.8811 -203415.0497 2800.1134 0.0000 0.0000 52248.3339 -108951.3435 300.2719 -161199.6774 -108590.6896 299.8033 35.6829 64.9915 761850.5907 -17.6833 -17.5549 PRESSURE: 1814400 104.762 -119.069 43.8976 -119.069 -282.072 -32.9868 43.8973 -32.9875 -19.4012 GPRESSURE: 1814400 214.608 -189.641 -24.6266 -57.1241 -283.112 -35.4991 77.2158 -63.9344 -21.7139 PRESSAVG: 1814400 -30.787 -77.0447 -33.7096 -77.0448 33.7332 -4.65326 -33.7096 -4.65332 -8.34101 GPRESSAVG: 1814400 -31.984 -77.8117 -31.7862 -80.0183 34.8928 -3.51159 -37.7815 -4.84036 -7.98457 TIMING: 1814400 CPU: 5736.61, 0.00313834/step Wall: 5736.61, 0.00313834/step, 2.77708 hours remaining, 236.933594 MB of memory in use. ENERGY: 1814400 4004.9685 20591.6587 14586.5201 252.0922 -203160.0333 2662.8287 0.0000 0.0000 52190.0602 -108871.9048 299.9370 -161061.9650 -108507.6753 300.1470 -65.5706 -30.0725 763959.0644 -1.7983 -1.6919 PRESSURE: 1814600 41.2769 -98.5839 -50.959 -98.5843 54.8605 -12.774 -50.9593 -12.7743 -578.288 GPRESSURE: 1814600 95.8857 -139.258 -155.605 54.0523 124.784 -89.7881 6.3102 4.08356 -610.774 PRESSAVG: 1814600 -20.9046 -95.1978 -26.6231 -95.1979 26.7412 -49.2031 -26.6231 -49.203 -5.07874 GPRESSAVG: 1814600 -20.1983 -95.9043 -26.6866 -93.7569 25.645 -51.2331 -26.1808 -49.3095 -5.74726 TIMING: 1814600 CPU: 5737.23, 0.00313129/step Wall: 5737.23, 0.00313129/step, 2.77067 hours remaining, 236.933594 MB of memory in use. ENERGY: 1814600 3949.2555 20636.2444 14604.2765 244.1798 -203360.9180 2536.1838 0.0000 0.0000 52430.0096 -108960.7683 301.3160 -161390.7779 -108596.3345 300.4101 -160.7168 -130.0345 762371.4241 0.2526 -0.1002 PRESSURE: 1814800 399.569 -101.038 -35.4338 -101.037 22.1863 16.1369 -35.4337 16.1369 -171.534 GPRESSURE: 1814800 451.253 11.8502 -51.6933 -134.206 68.7207 94.9397 47.5638 74.1462 -195.162 PRESSAVG: 1814800 -58.5809 -49.6315 -10.8944 -49.6315 51.3412 9.28317 -10.8944 9.28321 -7.4786 GPRESSAVG: 1814800 -59.2 -45.6367 -11.5943 -49.7324 52.5219 10.5102 -12.4581 12.1655 -7.90835 TIMING: 1814800 CPU: 5737.86, 0.00313306/step Wall: 5737.86, 0.00313306/step, 2.77206 hours remaining, 236.933594 MB of memory in use. ENERGY: 1814800 3918.9865 20697.3322 14566.0722 250.4721 -203261.3547 2842.4501 0.0000 0.0000 52076.5270 -108909.5147 299.2845 -160986.0417 -108543.4574 300.3258 83.4073 108.2704 763580.2859 -4.9061 -4.8621 PRESSURE: 1815000 -89.4253 -133.764 9.31437 -133.764 -35.6863 -26.1969 9.3149 -26.1959 -106.916 GPRESSURE: 1815000 -78.5036 -57.023 83.613 -87.8532 -49.273 -63.3484 -19.8629 -130.684 -49.1831 PRESSAVG: 1815000 33.7756 -35.4082 17.143 -35.4081 -8.09087 7.98616 17.143 7.98615 21.1538 GPRESSAVG: 1815000 33.1185 -37.8884 17.9057 -34.0339 -8.1493 8.11253 18.7949 3.36353 21.394 TIMING: 1815000 CPU: 5738.49, 0.00314163/step Wall: 5738.49, 0.00314163/step, 2.77947 hours remaining, 236.933594 MB of memory in use. ENERGY: 1815000 4056.5178 20687.5952 14543.4525 242.7983 -203704.7494 3024.0350 0.0000 0.0000 52198.0965 -108952.2540 299.9832 -161150.3506 -108584.2355 299.9206 -77.3425 -58.9866 763339.2897 15.6128 15.4544 PRESSURE: 1815200 126.749 63.6244 -117.591 63.6238 54.6275 111.888 -117.591 111.888 -23.5926 GPRESSURE: 1815200 -25.3544 80.2481 -109.783 -67.4979 168.973 145.907 -178.049 89.0983 101.716 PRESSAVG: 1815200 19.8229 19.5798 -6.36092 19.5798 -15.7102 30.7255 -6.36083 30.7255 -16.6056 GPRESSAVG: 1815200 20.0841 20.0968 -6.3625 18.7844 -15.3981 30.6789 -6.88196 31.6459 -16.8636 TIMING: 1815200 CPU: 5739.12, 0.00313991/step Wall: 5739.12, 0.00313991/step, 2.77777 hours remaining, 236.933594 MB of memory in use. ENERGY: 1815200 3987.5390 20631.7100 14535.8631 258.2853 -203213.0796 2468.8728 0.0000 0.0000 52270.4453 -109060.3641 300.3990 -161330.8094 -108698.9645 300.3244 52.5946 81.7781 763350.4345 -4.1643 -4.0592 PRESSURE: 1815400 -325.494 -58.4195 160.017 -58.4201 -301.993 -238.784 160.017 -238.784 -152.331 GPRESSURE: 1815400 -212.621 -128.882 85.8184 -21.4466 -265.595 -326.441 189.75 -77.5865 -194.548 PRESSAVG: 1815400 37.0485 -57.6361 48.4353 -57.6361 -31.6608 -26.2 48.4352 -26.2 13.3492 GPRESSAVG: 1815400 36.5222 -58.5091 48.1087 -57.8147 -31.3213 -25.7598 49.1612 -25.9731 13.8957 TIMING: 1815400 CPU: 5739.74, 0.00312736/step Wall: 5739.74, 0.00312736/step, 2.7665 hours remaining, 236.933594 MB of memory in use. ENERGY: 1815400 4055.7463 20615.9274 14570.5890 272.8415 -203009.3980 2515.2700 0.0000 0.0000 52032.1147 -108946.9091 299.0293 -160979.0238 -108587.2707 300.2426 -259.9395 -224.2547 763845.4304 6.2456 6.3655 PRESSURE: 1815600 -219.605 357.502 -244.527 357.501 -136.676 99.1671 -244.527 99.1667 561.995 GPRESSURE: 1815600 -141.349 331.664 -230.873 266.694 -102.382 99.0245 -120.783 78.1668 513.542 PRESSAVG: 1815600 -26.5397 -96.9659 23.7165 -96.9659 -7.58121 -17.5785 23.7165 -17.5785 12.6911 GPRESSAVG: 1815600 -26.7436 -97.0819 24.8087 -96.1709 -6.69238 -17.4882 22.9789 -17.2925 12.2204 TIMING: 1815600 CPU: 5740.37, 0.00313397/step Wall: 5740.37, 0.00313397/step, 2.77217 hours remaining, 236.933594 MB of memory in use. ENERGY: 1815600 4015.3394 20523.1629 14567.1232 238.6777 -203187.2309 2464.7952 0.0000 0.0000 52254.8503 -109123.2822 300.3093 -161378.1324 -108762.1511 299.8163 68.5713 89.9369 762205.9910 -7.1433 -7.0719 PRESSURE: 1815800 -11.8754 -61.1714 -16.5218 -61.1713 105.75 149.879 -16.5214 149.878 -126.726 GPRESSURE: 1815800 187.586 -92.0003 -29.4466 -40.9921 52.5813 145.11 -76.5124 49.2649 -185.001 PRESSAVG: 1815800 -56.8058 -77.4334 47.069 -77.4334 64.5087 21.4757 47.069 21.4758 -5.48397 GPRESSAVG: 1815800 -56.5128 -77.4006 46.6342 -77.6604 63.5243 21.9576 46.2711 20.6568 -4.45567 TIMING: 1815800 CPU: 5741, 0.00315871/step Wall: 5741, 0.00315871/step, 2.79388 hours remaining, 236.933594 MB of memory in use. ENERGY: 1815800 3999.7722 20376.9206 14517.5585 238.4124 -203075.8148 2418.2173 0.0000 0.0000 52322.6466 -109202.2870 300.6990 -161524.9337 -108826.3626 299.7390 -10.9506 18.3889 761498.7827 0.7396 0.8519 PRESSURE: 1816000 -26.48 32.4387 182.735 32.437 332.942 -95.4717 182.734 -95.4702 -146.388 GPRESSURE: 1816000 106.39 187.88 173.465 94.569 292.23 -140.22 112.201 53.8523 -138.258 PRESSAVG: 1816000 -34.3358 -35.8806 63.8969 -35.8806 42.6987 28.6812 63.8969 28.6811 11.9517 GPRESSAVG: 1816000 -32.9424 -36.0862 63.2755 -35.4274 42.6063 28.8931 64.5725 26.0879 10.5773 TIMING: 1816000 CPU: 5741.63, 0.0031387/step Wall: 5741.63, 0.0031387/step, 2.776 hours remaining, 236.933594 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: 1816000 3976.7629 20264.7761 14500.0263 237.1483 -203145.6807 2754.5125 0.0000 0.0000 52097.8982 -109314.5563 299.4073 -161412.4546 -108948.2789 299.6380 53.3580 86.7876 762501.2411 6.7715 6.7471 PRESSURE: 1816200 16.4237 -6.18306 20.9971 -6.18353 -32.3038 -250.682 20.9969 -250.681 -84.8599 GPRESSURE: 1816200 -9.31018 -72.8758 18.7265 -57.0568 -4.53106 -317.528 6.38815 -97.4668 5.6702 PRESSAVG: 1816200 -20.0779 -29.9608 18.5358 -29.9609 37.8704 42.1261 18.5357 42.1261 -19.4907 GPRESSAVG: 1816200 -20.8915 -28.6104 18.2475 -32.4504 37.8051 41.8292 16.4978 47.2213 -19.0934 TIMING: 1816200 CPU: 5742.26, 0.00313932/step Wall: 5742.26, 0.00313932/step, 2.77638 hours remaining, 236.933594 MB of memory in use. ENERGY: 1816200 3931.0279 20661.8868 14438.7339 234.9690 -203244.7339 2733.3449 0.0000 0.0000 51927.8356 -109316.9359 298.4300 -161244.7715 -108963.8075 299.1398 -33.5800 -2.7237 762035.1727 -0.5660 -0.7266 LDB: ============= START OF LOAD BALANCING ============== 5754.79 LDB: ============== END OF LOAD BALANCING =============== 5754.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5754.79 LDB: ============= START OF LOAD BALANCING ============== 5755.1 LDB: Largest compute 7037 load 0.031005 is 15.9% of average load 0.195467 LDB: Average compute 0.004364 is 2.2% of average load 0.195467 LDB: TIME 5755.11 LOAD: AVG 0.195467 MAX 0.214828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 5755.11 LOAD: AVG 0.195467 MAX 0.214828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.129 MB LDB: TIME 5755.11 LOAD: AVG 0.195467 MAX 0.214828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.129 MB LDB: ============== END OF LOAD BALANCING =============== 5755.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5755.11 PRESSURE: 1816400 -222.581 -388.625 -182.148 -388.625 -287.392 22.7402 -182.148 22.7405 142.575 GPRESSURE: 1816400 -175.899 -287.52 -142.845 -342.496 -277.669 38.118 -78.0344 -16.3755 160.384 PRESSAVG: 1816400 -67.5072 -10.6988 -24.9601 -10.6988 0.676525 45.6878 -24.9601 45.6878 7.43816 GPRESSAVG: 1816400 -67.5278 -10.8222 -24.4865 -8.94153 1.20179 44.5452 -22.2765 45.269 6.66981 TIMING: 1816400 CPU: 5742.9, 0.00320952/step Wall: 5742.9, 0.00320952/step, 2.83829 hours remaining, 235.652344 MB of memory in use. ENERGY: 1816400 3940.0727 20667.2089 14468.4847 244.0952 -203282.2476 2725.4649 0.0000 0.0000 52198.2082 -109038.7131 299.9838 -161236.9213 -108670.4993 299.2474 -122.4662 -97.7282 763104.4006 -19.7975 -19.8854 PRESSURE: 1816600 228.692 -181.173 198.547 -181.174 374.696 127.204 198.546 127.204 -65.6304 GPRESSURE: 1816600 338.809 -101.976 89.2736 4.94403 260.585 145.072 190.189 135.525 18.8411 PRESSAVG: 1816600 -57.7779 -74.3291 10.1344 -74.3291 52.4801 8.77519 10.1344 8.77513 -0.705836 GPRESSAVG: 1816600 -56.6545 -74.3208 12.3683 -72.6988 50.712 9.5306 8.88028 6.75061 0.535588 TIMING: 1816600 CPU: 5743.54, 0.00320064/step Wall: 5743.54, 0.00320064/step, 2.83025 hours remaining, 235.652344 MB of memory in use. ENERGY: 1816600 4012.0346 20731.6265 14481.2301 225.4829 -203463.0328 2842.4978 0.0000 0.0000 52263.4621 -108906.6988 300.3588 -161170.1609 -108546.5579 300.0842 179.2526 206.0784 761843.9331 -2.0012 -1.8023 PRESSURE: 1816800 205.24 188.474 -10.617 188.474 122.197 -97.3827 -10.6156 -97.3826 112.775 GPRESSURE: 1816800 192.023 101.101 13.3488 189.461 211.498 -149.363 -73.4025 -100.728 108.558 PRESSAVG: 1816800 1.33314 -16.1561 -20.5909 -16.1561 33.8195 68.6361 -20.5908 68.636 -0.691691 GPRESSAVG: 1816800 1.35528 -17.1234 -22.6036 -18.3798 34.7133 68.7323 -22.03 69.583 -1.63161 TIMING: 1816800 CPU: 5744.16, 0.00312897/step Wall: 5744.16, 0.00312897/step, 2.7667 hours remaining, 235.652344 MB of memory in use. ENERGY: 1816800 3990.8574 20765.8558 14516.5953 253.3661 -203496.2695 2763.3925 0.0000 0.0000 52142.0490 -109064.1534 299.6611 -161206.2024 -108704.1689 300.3465 146.7374 170.6929 761002.6075 11.4870 11.4790 PRESSURE: 1817000 -271.472 -132.784 -36.908 -132.784 147.977 71.0463 -36.9091 71.0456 -95.023 GPRESSURE: 1817000 -224.684 -160.376 -24.1105 -96.8233 179.75 84.4706 -7.50468 175.088 -83.5462 PRESSAVG: 1817000 -75.8367 -71.9671 -35.3129 -71.967 48.5057 39.7 -35.3131 39.6999 13.9933 GPRESSAVG: 1817000 -77.1811 -73.8361 -35.1651 -71.0023 48.67 39.0339 -33.0545 41.4854 14.8668 TIMING: 1817000 CPU: 5744.79, 0.00311294/step Wall: 5744.79, 0.00311294/step, 2.75236 hours remaining, 235.652344 MB of memory in use. ENERGY: 1817000 3972.1716 20462.4872 14497.0686 240.1529 -202803.5667 2332.9958 0.0000 0.0000 52265.3016 -109033.3890 300.3694 -161298.6906 -108664.6374 299.9918 -72.8393 -42.8267 762767.6707 -4.4459 -4.5481 PRESSURE: 1817200 -440.523 85.0607 -208.844 85.0608 76.3524 116.786 -208.845 116.785 -126.927 GPRESSURE: 1817200 -411.346 38.8743 -102.819 122.753 146.948 147.997 -252.574 50.9512 -137.761 PRESSAVG: 1817200 -32.0882 -36.6609 69.7279 -36.661 30.6465 13.2876 69.7279 13.2876 -11.5254 GPRESSAVG: 1817200 -31.242 -36.3118 71.4195 -35.9867 30.225 13.9177 67.8725 10.7071 -12.0433 TIMING: 1817200 CPU: 5745.41, 0.00312601/step Wall: 5745.41, 0.00312601/step, 2.76374 hours remaining, 235.652344 MB of memory in use. ENERGY: 1817200 4040.9802 20511.6061 14535.8189 249.6660 -203173.2248 2747.7991 0.0000 0.0000 52037.7012 -109049.6534 299.0614 -161087.3546 -108696.8860 299.8409 -163.6990 -134.0530 764388.7852 -4.3224 -4.3534 PRESSURE: 1817400 89.1438 -260.998 -183.444 -260.997 -110.401 78.3621 -183.443 78.3626 -119.001 GPRESSURE: 1817400 136.085 -331.285 -138.722 -162.833 10.4232 36.0455 -161.74 228.461 -188.618 PRESSAVG: 1817400 -28.4478 -8.76403 23.2746 -8.76398 14.3876 -4.2722 23.2745 -4.27223 -11.9949 GPRESSAVG: 1817400 -28.7235 -8.10242 23.9954 -10.131 15.7907 -5.5701 24.0555 -1.79804 -12.8724 TIMING: 1817400 CPU: 5746.04, 0.00313172/step Wall: 5746.04, 0.00313172/step, 2.76861 hours remaining, 235.652344 MB of memory in use. ENERGY: 1817400 3971.4388 20447.1163 14502.4207 246.5821 -202877.7435 2546.3873 0.0000 0.0000 52206.0074 -108957.7909 300.0286 -161163.7983 -108598.7390 299.8964 -46.7525 -14.0367 762757.4233 -8.6850 -8.6017 PRESSURE: 1817600 125.123 72.8492 32.9894 72.8494 -223.582 -234.535 32.9892 -234.536 -419.995 GPRESSURE: 1817600 157.899 143.468 -22.2286 103.909 -141.573 -215.755 62.6924 -233.222 -452.183 PRESSAVG: 1817600 24.8222 18.3176 23.9222 18.3176 -1.85398 1.50418 23.9223 1.50415 -4.17659 GPRESSAVG: 1817600 23.215 21.6327 21.449 18.8843 -1.20941 2.67309 23.2164 1.93942 -3.16918 TIMING: 1817600 CPU: 5746.67, 0.00314016/step Wall: 5746.67, 0.00314016/step, 2.7759 hours remaining, 235.652344 MB of memory in use. ENERGY: 1817600 3988.8451 20529.3067 14512.8739 238.9636 -203403.8673 2861.3833 0.0000 0.0000 52244.7389 -109027.7557 300.2512 -161272.4946 -108649.0773 300.0642 -172.8181 -145.2857 761844.9221 6.2639 6.2788 PRESSURE: 1817800 75.5162 -110.608 -192.977 -110.608 122.528 -26.6522 -192.977 -26.6517 -108.164 GPRESSURE: 1817800 49.3998 -182.902 -136.478 -67.73 134.687 -21.414 -307.721 85.6262 -6.58045 PRESSAVG: 1817800 -22.6504 17.6442 11.5941 17.6442 50.1575 48.8204 11.5941 48.8205 -10.3825 GPRESSAVG: 1817800 -22.3279 14.4118 10.5374 19.1191 49.7099 47.8009 12.4256 47.7434 -9.73818 TIMING: 1817800 CPU: 5747.29, 0.00312591/step Wall: 5747.29, 0.00312591/step, 2.76313 hours remaining, 235.652344 MB of memory in use. ENERGY: 1817800 3960.8283 20419.8403 14489.7935 256.3612 -202629.3954 2336.9062 0.0000 0.0000 52175.7243 -108989.9416 299.8546 -161165.6659 -108630.0578 300.1687 29.9603 59.1688 761852.4929 5.7082 5.8813 PRESSURE: 1818000 -161.306 -4.75705 19.1615 -4.75657 45.9276 -24.4726 19.1614 -24.4725 159.888 GPRESSURE: 1818000 -92.9685 37.2297 20.6754 -91.2581 114.8 64.212 28.5273 -73.881 86.8064 PRESSAVG: 1818000 -8.24391 -41.2721 34.3723 -41.2721 9.5657 70.5799 34.3723 70.5799 10.0603 GPRESSAVG: 1818000 -7.85623 -41.1224 34.8072 -42.3331 9.3072 72.6845 35.0197 71.4195 9.68707 TIMING: 1818000 CPU: 5747.92, 0.00312628/step Wall: 5747.92, 0.00312628/step, 2.76328 hours remaining, 235.652344 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: 1818000 3997.2707 20558.6619 14586.1680 234.2801 -203186.0590 2667.1456 0.0000 0.0000 52253.6154 -108888.9173 300.3022 -161142.5327 -108529.7644 300.4118 14.8365 36.2125 761885.8606 3.7940 3.7127 PRESSURE: 1818200 -251.666 207.351 -149.351 207.351 -357.371 71.4435 -149.351 71.4427 -595.018 GPRESSURE: 1818200 -185.528 155.911 -200.217 142.667 -396.587 56.8056 -252.694 118.93 -519.112 PRESSAVG: 1818200 -15.9491 3.16777 21.1969 3.16773 -2.55424 1.25775 21.1968 1.25769 -17.1474 GPRESSAVG: 1818200 -15.914 2.00148 22.3151 3.37327 -3.38055 -1.75175 19.8608 0.837747 -15.8453 TIMING: 1818200 CPU: 5748.54, 0.00312863/step Wall: 5748.54, 0.00312863/step, 2.76519 hours remaining, 235.652344 MB of memory in use. ENERGY: 1818200 4010.9627 20538.8842 14557.6328 237.3424 -202956.6069 2419.0347 0.0000 0.0000 52247.8027 -108944.9473 300.2688 -161192.7500 -108581.2956 299.8813 -401.3516 -367.0754 761994.4064 -11.8836 -11.7133 PRESSURE: 1818400 -185.592 -34.3744 -211.025 -34.3743 341.756 7.64859 -211.025 7.64929 136.586 GPRESSURE: 1818400 -58.7403 -82.4955 -252.057 14.0867 246.183 -34.4985 -38.7253 120.295 180.018 PRESSAVG: 1818400 -28.655 -2.82055 -27.3703 -2.82059 2.64746 10.7952 -27.3703 10.7951 -8.38862 GPRESSAVG: 1818400 -27.5625 -0.0295973 -29.0269 -5.19205 2.37031 12.541 -26.2262 10.0091 -9.71427 TIMING: 1818400 CPU: 5749.17, 0.00312908/step Wall: 5749.17, 0.00312908/step, 2.76541 hours remaining, 235.652344 MB of memory in use. ENERGY: 1818400 3998.4042 20507.5869 14481.0882 235.8029 -203364.7659 2923.0255 0.0000 0.0000 52018.7665 -109200.0916 298.9526 -161218.8581 -108841.8474 299.7226 97.5834 122.4867 760895.0854 -11.4654 -11.6355 PRESSURE: 1818600 -218.087 -59.0988 19.6968 -59.0985 210.351 -51.0298 19.6976 -51.0292 -204.03 GPRESSURE: 1818600 -162.713 -119.744 83.8655 -58.1816 227.656 58.9105 51.3166 64.3326 -176.333 PRESSAVG: 1818600 -26.5849 -32.314 -32.9433 -32.314 -10.2522 28.4719 -32.9433 28.4719 8.07813 GPRESSAVG: 1818600 -27.5563 -33.6003 -31.7392 -30.9828 -10.4253 29.2763 -33.5386 29.6348 8.69261 TIMING: 1818600 CPU: 5749.8, 0.0031416/step Wall: 5749.8, 0.0031416/step, 2.7763 hours remaining, 235.652344 MB of memory in use. ENERGY: 1818600 3943.6575 20498.8609 14457.3190 255.1272 -203232.8730 2801.4229 0.0000 0.0000 52182.6197 -109093.8657 299.8942 -161276.4854 -108720.4648 299.5621 -70.5887 -37.1298 762401.3732 -9.5863 -9.7630 PRESSURE: 1818800 -37.3672 -59.5567 6.38908 -59.5553 -323.471 166.504 6.38949 166.503 -490.531 GPRESSURE: 1818800 -77.7637 -20.4734 100.783 -166.467 -311.592 96.2812 -95.0237 195.503 -377.261 PRESSAVG: 1818800 49.6864 -14.4072 1.94391 -14.4072 -27.2636 42.4739 1.94396 42.4739 -6.51508 GPRESSAVG: 1818800 49.3568 -13.6091 3.04257 -15.4867 -26.0986 42.1449 1.59359 41.2666 -7.80037 TIMING: 1818800 CPU: 5750.42, 0.00313773/step Wall: 5750.42, 0.00313773/step, 2.77271 hours remaining, 235.652344 MB of memory in use. ENERGY: 1818800 3980.0696 20650.1075 14451.5983 248.7907 -203010.5346 2509.4668 0.0000 0.0000 52187.9645 -108982.5372 299.9249 -161170.5018 -108622.5589 300.1836 -283.7894 -255.5387 763524.2186 5.3026 5.1526 PRESSURE: 1819000 93.7606 0.203069 -52.2704 0.203069 -29.9858 -157.374 -52.2697 -157.374 -4.77303 GPRESSURE: 1819000 154.099 15.5597 -28.0398 48.9348 30.9016 -140.509 25.6104 -70.6289 -55.6858 PRESSAVG: 1819000 -41.0852 -36.3451 -20.3728 -36.345 29.3557 57.2799 -20.3728 57.2799 -23.4458 GPRESSAVG: 1819000 -41.5365 -39.3278 -22.0833 -35.1193 28.5309 57.0049 -18.5674 59.5232 -22.2098 TIMING: 1819000 CPU: 5751.05, 0.00313422/step Wall: 5751.05, 0.00313422/step, 2.76943 hours remaining, 235.652344 MB of memory in use. ENERGY: 1819000 4025.3025 20546.7077 14533.3599 240.3650 -203345.6546 2887.7219 0.0000 0.0000 52297.0108 -108815.1868 300.5516 -161112.1977 -108446.2438 300.3619 19.6673 43.1049 762244.5647 -11.7251 -11.7384 PRESSURE: 1819200 73.588 76.931 -50.7866 76.9308 -139.905 -67.3372 -50.7863 -67.3356 -207.192 GPRESSURE: 1819200 39.416 65.3105 -63.038 140.05 -36.5646 -16.2614 -29.4072 -115.699 -196.586 PRESSAVG: 1819200 -16.0494 -32.4157 49.9547 -32.4157 -9.97374 0.645409 49.9548 0.645426 0.445708 GPRESSAVG: 1819200 -16.1342 -31.6179 49.7207 -31.3437 -8.94038 1.18332 48.65 0.242848 -0.309456 TIMING: 1819200 CPU: 5751.68, 0.00315322/step Wall: 5751.68, 0.00315322/step, 2.78604 hours remaining, 235.652344 MB of memory in use. ENERGY: 1819200 4022.9379 20669.3292 14439.3207 237.0352 -203365.6179 2871.8962 0.0000 0.0000 52435.2737 -108689.8251 301.3462 -161125.0987 -108335.4682 300.7166 -91.1697 -64.5781 763197.3870 -8.5258 -8.4613 PRESSURE: 1819400 -392.512 -37.4315 -120.312 -37.4316 -618.948 -152.718 -120.311 -152.718 -265.226 GPRESSURE: 1819400 -394.874 12.534 -99.9565 -82.2658 -584.083 -107.311 -182.784 -34.8788 -218.697 PRESSAVG: 1819400 -39.4945 -43.5611 0.853824 -43.5612 39.2039 18.619 0.853825 18.619 -8.0465 GPRESSAVG: 1819400 -39.8318 -42.9243 0.58229 -45.8281 38.0046 16.9453 -0.43348 16.2758 -6.96767 TIMING: 1819400 CPU: 5752.31, 0.00315396/step Wall: 5752.31, 0.00315396/step, 2.78652 hours remaining, 235.652344 MB of memory in use. ENERGY: 1819400 4020.5220 20570.5326 14486.5487 243.9089 -203215.4451 2537.4381 0.0000 0.0000 52454.6614 -108901.8333 301.4577 -161356.4947 -108538.2006 300.6579 -425.5618 -399.2182 763605.3312 -2.7790 -2.9316 PRESSURE: 1819600 152.538 42.0149 -27.6381 42.0143 146.731 -44.3309 -27.6389 -44.3297 731.743 GPRESSURE: 1819600 278.421 -29.3029 2.39942 150.692 115.958 -82.5617 30.3282 -150.058 720.964 PRESSAVG: 1819600 7.09042 -56.5724 2.18978 -56.5725 -64.9641 -35.6807 2.18978 -35.6807 1.52627 GPRESSAVG: 1819600 7.58528 -56.7413 2.05506 -55.9713 -65.2227 -35.2359 4.35714 -34.771 1.09083 TIMING: 1819600 CPU: 5752.95, 0.00316496/step Wall: 5752.95, 0.00316496/step, 2.79606 hours remaining, 235.652344 MB of memory in use. ENERGY: 1819600 3991.0773 20565.2035 14474.1254 228.0883 -203333.0490 2736.8095 0.0000 0.0000 52112.0982 -109225.6468 299.4889 -161337.7450 -108868.2966 300.4089 343.6709 371.7811 761627.0363 -18.7825 -18.8489 PRESSURE: 1819800 -199.053 21.872 2.8703 21.872 -221.866 -97.9543 2.8699 -97.9547 -503.957 GPRESSURE: 1819800 -206.128 -64.3712 -49.9466 96.6955 -193.161 -152.598 31.7376 -118.88 -456.717 PRESSAVG: 1819800 5.81027 -14.0517 -53.5408 -14.0517 25.2765 -46.4987 -53.5408 -46.4988 -10.6334 GPRESSAVG: 1819800 6.44791 -12.8542 -54.0157 -15.2616 25.5822 -46.0272 -54.5201 -46.9354 -11.1441 TIMING: 1819800 CPU: 5753.58, 0.0031652/step Wall: 5753.58, 0.00316521/step, 2.79611 hours remaining, 235.652344 MB of memory in use. ENERGY: 1819800 3976.7020 20474.6942 14507.8505 241.0879 -202916.6707 2339.0662 0.0000 0.0000 52123.2544 -109254.0156 299.5531 -161377.2700 -108882.2975 299.3671 -308.2919 -285.3356 762718.7811 6.8178 6.9620 PRESSURE: 1820000 40.1355 112.001 -164.182 112.001 -257.27 143.816 -164.181 143.817 -500.911 GPRESSURE: 1820000 -11.9596 -25.3698 -174.67 105.378 -167.859 112.3 -87.0053 142.47 -466.42 PRESSAVG: 1820000 9.32566 -32.4976 15.0634 -32.4976 -5.39243 42.728 15.0634 42.7279 -17.7046 GPRESSAVG: 1820000 8.63474 -33.8557 17.2368 -29.9502 -5.05892 43.0922 13.022 41.9858 -17.2555 TIMING: 1820000 CPU: 5754.21, 0.0031507/step Wall: 5754.21, 0.0031507/step, 2.78312 hours remaining, 235.652344 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: 1820000 4008.4184 20756.2121 14580.3349 241.4315 -203535.6778 2564.1368 0.0000 0.0000 52232.6562 -109152.4880 300.1818 -161385.1442 -108793.0019 299.7084 -239.3485 -215.4128 761779.8773 -4.5904 -4.5599 PRESSURE: 1820200 339.123 139.638 45.5024 139.638 189.217 -5.46788 45.5023 -5.46906 326.568 GPRESSURE: 1820200 261.923 140.113 50.7135 93.9626 307.965 -25.3767 -60.3815 70.6629 365.652 PRESSAVG: 1820200 -53.202 -35.4692 0.396336 -35.4691 35.0203 -14.9463 0.396324 -14.9463 -6.05553 GPRESSAVG: 1820200 -52.5089 -36.6314 0.809025 -35.0702 35.0614 -15.4053 0.970901 -13.8767 -6.72867 TIMING: 1820200 CPU: 5754.84, 0.00314765/step Wall: 5754.84, 0.00314765/step, 2.78025 hours remaining, 235.652344 MB of memory in use. ENERGY: 1820200 3945.2920 20589.9512 14474.4887 253.9836 -203296.2733 2788.7646 0.0000 0.0000 52181.2012 -109062.5920 299.8861 -161243.7932 -108703.9911 299.6884 284.9695 311.8468 761521.2942 -8.0791 -8.0587 LDB: ============= START OF LOAD BALANCING ============== 5767.37 LDB: ============== END OF LOAD BALANCING =============== 5767.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5767.37 LDB: ============= START OF LOAD BALANCING ============== 5767.69 LDB: Largest compute 7037 load 0.028448 is 14.6% of average load 0.195415 LDB: Average compute 0.004363 is 2.2% of average load 0.195415 LDB: TIME 5767.69 LOAD: AVG 0.195415 MAX 0.214156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 5767.69 LOAD: AVG 0.195415 MAX 0.214156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.371 MB LDB: TIME 5767.69 LOAD: AVG 0.195415 MAX 0.214156 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.371 MB LDB: ============== END OF LOAD BALANCING =============== 5767.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5767.7 PRESSURE: 1820400 -183.705 278.056 60.2296 278.055 -280.595 93.7343 60.23 93.734 -237.784 GPRESSURE: 1820400 -130.15 223.71 84.2602 225.948 -218.776 123.097 69.5907 71.0613 -275.473 PRESSAVG: 1820400 -61.3601 7.06643 40.9857 7.06634 47.7918 -32.7147 40.9857 -32.7147 1.70881 GPRESSAVG: 1820400 -63.4309 9.4281 41.0263 7.28825 48.9216 -32.8934 40.4141 -32.3683 3.06045 TIMING: 1820400 CPU: 5755.48, 0.00323194/step Wall: 5755.48, 0.00323194/step, 2.85452 hours remaining, 237.503906 MB of memory in use. ENERGY: 1820400 4009.6029 20719.2466 14477.8409 238.5017 -203074.0774 2179.0730 0.0000 0.0000 52098.2364 -109351.5759 299.4093 -161449.8123 -108993.3851 299.3302 -234.0280 -208.1330 761028.5918 -3.9531 -3.8163 PRESSURE: 1820600 134.521 -55.0631 82.684 -55.0631 312.413 -204.009 82.6838 -204.008 -37.1272 GPRESSURE: 1820600 175.241 -173.385 81.8282 -56.4675 294.421 -230.665 -2.84288 -213.409 25.7316 PRESSAVG: 1820600 14.9211 -19.4503 -4.21659 -19.4503 -20.5933 -28.9296 -4.21665 -28.9296 7.07515 GPRESSAVG: 1820600 17.094 -21.0687 -5.68234 -19.8156 -23.5066 -30.0586 -2.97903 -28.9965 7.26846 TIMING: 1820600 CPU: 5756.11, 0.00315163/step Wall: 5756.11, 0.00315163/step, 2.78342 hours remaining, 237.707031 MB of memory in use. ENERGY: 1820600 3972.4169 20558.3011 14455.5782 249.8629 -203366.4505 2742.8033 0.0000 0.0000 52268.6864 -109118.8017 300.3889 -161387.4881 -108747.9961 299.6144 136.6020 165.1313 762234.8396 0.4677 0.2853 PRESSURE: 1820800 202.97 -239.735 -111.369 -239.734 346.492 -188.287 -111.368 -188.286 -0.730808 GPRESSURE: 1820800 210.639 -240.863 -150.951 -245.615 375.888 -231.481 -4.29468 -21.3553 34.6186 PRESSAVG: 1820800 -54.8613 -54.4798 -23.5443 -54.4798 65.2726 -48.0407 -23.5442 -48.0406 0.447354 GPRESSAVG: 1820800 -55.784 -52.6983 -23.569 -54.8128 67.1641 -45.3237 -22.5376 -49.5606 -0.380017 TIMING: 1820800 CPU: 5756.74, 0.00314698/step Wall: 5756.74, 0.00314698/step, 2.77913 hours remaining, 237.707031 MB of memory in use. ENERGY: 1820800 4030.0344 20611.9993 14489.8068 274.2102 -203386.4898 2827.2177 0.0000 0.0000 52021.5799 -109131.6414 298.9687 -161153.2213 -108763.0574 299.6585 182.9103 207.0483 761225.2320 3.6195 3.6667 PRESSURE: 1821000 -171.071 122.94 -63.1407 122.94 169.607 -70.1621 -63.1402 -70.1627 -106.099 GPRESSURE: 1821000 -184.975 95.1768 49.3337 69.3037 269.341 -102.332 -103.27 21.4722 -113.316 PRESSAVG: 1821000 -25.7865 -9.044 -23.4559 -9.04401 29.6852 17.514 -23.4559 17.5141 13.6285 GPRESSAVG: 1821000 -24.8352 -11.5005 -22.1445 -8.05728 28.6929 18.2718 -22.9947 16.9332 13.5278 TIMING: 1821000 CPU: 5757.38, 0.00318314/step Wall: 5757.38, 0.00318314/step, 2.81089 hours remaining, 237.707031 MB of memory in use. ENERGY: 1821000 4029.0680 20435.5482 14531.8388 244.7230 -203551.1497 2825.9750 0.0000 0.0000 52355.8374 -109128.1594 300.8897 -161483.9967 -108757.8126 300.0863 -35.8545 -9.6501 762930.7064 5.8424 5.7952 PRESSURE: 1821200 132.364 -51.8432 141.087 -51.843 95.0731 -175.506 141.088 -175.505 -459.888 GPRESSURE: 1821200 99.4027 30.4263 84.1738 -60.2145 149.758 -139.612 175.704 -40.1771 -403.296 PRESSAVG: 1821200 -12.8308 5.72556 -20.2116 5.72557 -0.0844072 -2.24425 -20.2117 -2.24422 19.568 GPRESSAVG: 1821200 -13.1981 5.97793 -22.3496 3.41091 0.956468 -2.71239 -22.335 -0.77437 19.3402 TIMING: 1821200 CPU: 5758.01, 0.00316026/step Wall: 5758.01, 0.00316026/step, 2.79051 hours remaining, 237.707031 MB of memory in use. ENERGY: 1821200 3955.1877 20710.5627 14498.7242 257.8958 -203090.3954 2534.9422 0.0000 0.0000 51949.1800 -109183.9027 298.5527 -161133.0827 -108819.8510 299.6561 -77.4835 -51.3784 763632.2317 2.2176 2.3662 PRESSURE: 1821400 30.1332 -101.06 109.955 -101.06 -9.83189 4.65868 109.954 4.65855 -316.699 GPRESSURE: 1821400 100.487 -64.2975 132.893 -101.989 62.7152 14.0887 78.8344 32.7995 -359.444 PRESSAVG: 1821400 26.6394 -35.5369 -23.5386 -35.537 -30.5561 10.078 -23.5387 10.078 8.52384 GPRESSAVG: 1821400 25.8876 -37.3684 -21.1281 -33.4151 -29.8119 10.8201 -23.2779 11.1481 8.78658 TIMING: 1821400 CPU: 5758.64, 0.00315681/step Wall: 5758.64, 0.00315681/step, 2.78728 hours remaining, 237.707031 MB of memory in use. ENERGY: 1821400 4086.2265 20407.5200 14544.8074 232.7656 -202925.7185 2443.8896 0.0000 0.0000 52021.6704 -109188.8391 298.9693 -161210.5095 -108828.3070 299.4949 -98.7994 -65.4139 761553.1121 1.5357 1.6208 PRESSURE: 1821600 -424.936 -65.2578 -240.866 -65.2574 -279.263 286.014 -240.865 286.015 -329.354 GPRESSURE: 1821600 -395.501 -48.4509 -119.595 -64.2294 -241.884 275.237 -277.366 82.6298 -302.598 PRESSAVG: 1821600 -5.54271 -43.9185 -39.6253 -43.9186 2.40725 -45.9381 -39.6253 -45.9381 -9.75443 GPRESSAVG: 1821600 -5.82464 -43.3708 -41.4837 -45.72 0.899209 -45.6445 -38.5682 -48.1467 -8.93692 TIMING: 1821600 CPU: 5759.28, 0.00317074/step Wall: 5759.28, 0.00317074/step, 2.79941 hours remaining, 237.707031 MB of memory in use. ENERGY: 1821600 4086.7591 20561.3651 14469.3264 239.8846 -202775.3121 2210.1997 0.0000 0.0000 51949.2118 -109258.5656 298.5528 -161207.7773 -108898.0296 299.6481 -344.5178 -313.3273 762642.7363 -4.2966 -4.6208 PRESSURE: 1821800 32.2269 18.9989 175.439 18.9992 270.888 138.853 175.44 138.853 422.651 GPRESSURE: 1821800 119.141 -53.0391 110.362 84.1964 331.08 191.325 167.433 139.638 370.262 PRESSAVG: 1821800 -72.4556 -56.0484 -10.986 -56.0485 62.7312 40.3915 -10.9861 40.3914 32.6409 GPRESSAVG: 1821800 -71.9381 -55.6785 -11.7036 -55.0007 63.1619 40.0801 -10.3213 41.8058 31.3492 TIMING: 1821800 CPU: 5759.91, 0.00317929/step Wall: 5759.91, 0.00317929/step, 2.80678 hours remaining, 237.707031 MB of memory in use. ENERGY: 1821800 4000.0515 20371.6578 14496.9027 243.0923 -203172.9607 2838.0153 0.0000 0.0000 52110.6531 -109112.5880 299.4806 -161223.2411 -108746.4679 299.9021 241.9218 273.4941 760969.0376 7.6389 7.5243 PRESSURE: 1822000 148.747 79.2863 171.487 79.2869 259.724 -160.606 171.487 -160.606 401.631 GPRESSURE: 1822000 221.94 -39.5585 103.209 -10.8287 296.282 -209.996 95.2192 -98.6414 361.743 PRESSAVG: 1822000 -33.66 -17.4436 1.88403 -17.4436 0.62804 -11.0401 1.88401 -11.0401 22.3734 GPRESSAVG: 1822000 -33.1785 -16.1919 3.32913 -18.8333 -1.6198 -10.981 3.624 -12.4418 23.1699 TIMING: 1822000 CPU: 5760.55, 0.00317403/step Wall: 5760.55, 0.00317403/step, 2.80197 hours remaining, 237.707031 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: 1822000 3937.8419 20469.0016 14580.2010 272.9513 -203273.6668 2700.1559 0.0000 0.0000 52109.9904 -109203.5247 299.4768 -161313.5151 -108833.3662 299.9996 270.0341 293.3217 761874.9901 -3.5528 -3.8762 PRESSURE: 1822200 48.2982 -23.8595 -83.4979 -23.8593 -234.818 4.00592 -83.4978 4.00688 -290.864 GPRESSURE: 1822200 45.8588 -5.50069 -68.4115 60.0979 -172.348 6.03034 -165.848 95.6293 -294.415 PRESSAVG: 1822200 -0.723797 -30.8905 -53.7541 -30.8904 -1.62084 -3.09068 -53.7541 -3.09074 -10.629 GPRESSAVG: 1822200 -1.58611 -32.9835 -55.5586 -29.3532 0.36983 -3.2692 -55.2485 -0.702254 -11.3923 TIMING: 1822200 CPU: 5761.18, 0.00316391/step Wall: 5761.18, 0.0031639/step, 2.79285 hours remaining, 237.707031 MB of memory in use. ENERGY: 1822200 3945.6908 20459.9619 14491.6147 247.4758 -202772.9794 2363.0944 0.0000 0.0000 52038.8316 -109226.3102 299.0679 -161265.1418 -108862.0316 299.8702 -159.1281 -140.3015 760009.9074 -4.3245 -4.2029 PRESSURE: 1822400 82.3562 79.9138 -244.321 79.9134 91.1142 -42.3434 -244.322 -42.3425 244.433 GPRESSURE: 1822400 106.349 114.033 -193.499 44.4085 92.5248 27.6647 -90.644 -85.0827 287.292 PRESSAVG: 1822400 -31.7403 -50.6544 -46.7712 -50.6544 -21.9003 -17.0772 -46.7711 -17.0771 -16.136 GPRESSAVG: 1822400 -32.0976 -49.5153 -45.5133 -49.9973 -22.1325 -17.7537 -46.7752 -17.1957 -15.5196 TIMING: 1822400 CPU: 5761.82, 0.00317603/step Wall: 5761.82, 0.00317603/step, 2.80338 hours remaining, 237.707031 MB of memory in use. ENERGY: 1822400 3952.4755 20533.0778 14426.7591 251.3762 -203384.3881 2807.8387 0.0000 0.0000 52182.0282 -109230.8326 299.8908 -161412.8607 -108861.9965 299.4855 139.3011 162.0554 760861.8664 -23.2589 -23.2499 PRESSURE: 1822600 -63.1071 -106.797 107.877 -106.798 260.325 170.936 107.878 170.935 328.683 GPRESSURE: 1822600 -69.7815 -88.2125 88.8577 -122.263 296.68 174.55 122.3 120.312 364.423 PRESSAVG: 1822600 -28.2712 -24.62 26.6393 -24.62 34.3072 14.8979 26.6393 14.8979 15.0876 GPRESSAVG: 1822600 -27.6464 -26.1091 27.3289 -26.3726 33.9611 14.8009 24.128 14.5122 14.9211 TIMING: 1822600 CPU: 5762.45, 0.00315964/step Wall: 5762.45, 0.00315965/step, 2.78874 hours remaining, 237.707031 MB of memory in use. ENERGY: 1822600 3939.6667 20592.5668 14445.3340 241.4788 -203305.1157 2845.5559 0.0000 0.0000 51930.6731 -109309.8403 298.4463 -161240.5134 -108958.9918 299.4097 175.3004 197.1074 761917.8818 7.0412 7.0786 PRESSURE: 1822800 129.977 -139.336 147.308 -139.336 -4.40287 50.7928 147.308 50.7926 649.636 GPRESSURE: 1822800 291.796 -13.5129 252.199 -147.429 -53.0893 53.1955 134.943 -49.8647 620.943 PRESSAVG: 1822800 -7.24304 -10.8883 41.7966 -10.8883 30.4788 28.9913 41.7967 28.9913 -5.29258 GPRESSAVG: 1822800 -7.92413 -8.9403 40.5629 -9.66438 31.7678 29.6721 43.7964 29.0931 -5.39026 TIMING: 1822800 CPU: 5763.08, 0.00315609/step Wall: 5763.08, 0.00315609/step, 2.78543 hours remaining, 237.707031 MB of memory in use. ENERGY: 1822800 3870.5139 20640.2850 14413.6354 228.0304 -203308.1839 2840.0279 0.0000 0.0000 52095.0442 -109220.6472 299.3909 -161315.6914 -108859.2714 299.2656 258.4034 286.5499 762098.4815 5.9810 6.1511 PRESSURE: 1823000 260.434 80.3794 65.9472 80.3794 338.511 -36.7573 65.9477 -36.7585 411.731 GPRESSURE: 1823000 335.525 41.2329 79.6086 48.6271 258.86 -35.946 19.9733 -24.9437 499.461 PRESSAVG: 1823000 -30.6186 -52.382 -35.8351 -52.382 -0.963202 -1.71126 -35.8351 -1.71126 -3.49392 GPRESSAVG: 1823000 -29.6637 -53.0362 -33.8484 -52.8686 -2.73536 -0.442002 -36.5747 -4.55328 -2.72552 TIMING: 1823000 CPU: 5763.71, 0.0031418/step Wall: 5763.71, 0.0031418/step, 2.77264 hours remaining, 237.707031 MB of memory in use. ENERGY: 1823000 3965.0835 20617.4442 14431.3244 226.8373 -203658.8898 3040.0924 0.0000 0.0000 52239.0473 -109139.0606 300.2185 -161378.1080 -108775.3544 299.2583 336.8923 364.6154 761390.0901 -11.6919 -11.7082 PRESSURE: 1823200 66.0299 -253.31 91.4375 -253.31 -130.41 28.5258 91.4383 28.5267 271.176 GPRESSURE: 1823200 84.3679 -245.367 75.482 -257.105 -42.5935 -126.881 -24.166 89.2409 246.166 PRESSAVG: 1823200 -18.6614 -51.5335 -20.7372 -51.5335 11.0567 -50.7051 -20.7371 -50.705 -5.64883 GPRESSAVG: 1823200 -18.9019 -51.0589 -23.7582 -51.3672 11.7679 -53.1831 -20.0684 -47.1939 -6.28431 TIMING: 1823200 CPU: 5764.34, 0.00316681/step Wall: 5764.34, 0.00316681/step, 2.79454 hours remaining, 237.707031 MB of memory in use. ENERGY: 1823200 3940.0780 20626.4395 14472.1610 241.2295 -203349.8555 2714.5941 0.0000 0.0000 52017.1683 -109338.1851 298.9434 -161355.3534 -108975.4906 299.5960 68.9318 95.9801 760866.2429 -4.4179 -4.4728 PRESSURE: 1823400 -209.303 35.3301 -89.256 35.3301 30.9896 -106.304 -89.2563 -106.303 47.7083 GPRESSURE: 1823400 -111.398 -25.7267 -19.1615 60.2516 60.4159 -42.5448 -28.9639 -58.6498 -13.4971 PRESSAVG: 1823400 -4.03893 -30.1965 -20.8663 -30.1964 20.3602 -32.4789 -20.8663 -32.4789 5.19625 GPRESSAVG: 1823400 -4.15942 -31.5262 -19.2722 -29.8733 20.2634 -31.3487 -20.1157 -32.7486 4.77953 TIMING: 1823400 CPU: 5764.97, 0.0031433/step Wall: 5764.97, 0.0031433/step, 2.77362 hours remaining, 237.707031 MB of memory in use. ENERGY: 1823400 3927.9811 20620.7528 14453.7547 236.6679 -203341.8807 2377.0208 0.0000 0.0000 52184.4171 -109541.2862 299.9046 -161725.7033 -109183.9462 299.1972 -43.5349 -21.4929 761057.3633 7.1725 6.9612 PRESSURE: 1823600 -219.009 -149.599 73.9508 -149.6 -411.313 -55.6075 73.9506 -55.6075 -10.9357 GPRESSURE: 1823600 -155.483 -174.936 58.4718 -51.9223 -351.595 -111.524 -18.2312 -32.2346 -49.8477 PRESSAVG: 1823600 -45.0944 -19.6021 -38.3477 -19.6021 13.5829 -15.1769 -38.3477 -15.1768 25.3416 GPRESSAVG: 1823600 -46.1504 -18.9237 -36.3117 -19.6276 14.4316 -15.6198 -42.3531 -16.1397 24.9748 TIMING: 1823600 CPU: 5765.6, 0.0031548/step Wall: 5765.6, 0.0031548/step, 2.78359 hours remaining, 237.707031 MB of memory in use. ENERGY: 1823600 3968.4458 20549.7547 14464.5394 246.7783 -203272.6247 2481.4632 0.0000 0.0000 52055.1176 -109506.5256 299.1615 -161561.6433 -109145.9768 299.0598 -213.7527 -185.6418 763373.4475 -2.0566 -2.2480 PRESSURE: 1823800 -347.916 44.6776 -108.654 44.6776 -166.714 116.28 -108.654 116.28 -189.565 GPRESSURE: 1823800 -327.557 -44.4149 -124.357 -99.7943 -147.356 183.616 -48.5439 92.1497 -146.628 PRESSAVG: 1823800 -30.5698 -41.8919 -5.14506 -41.8919 -27.0485 -50.0915 -5.145 -50.0915 -16.4207 GPRESSAVG: 1823800 -29.7358 -42.4666 -8.08117 -42.9982 -27.8482 -48.8642 -1.82662 -51.3166 -15.7731 TIMING: 1823800 CPU: 5766.23, 0.00314327/step Wall: 5766.23, 0.00314327/step, 2.77324 hours remaining, 237.707031 MB of memory in use. ENERGY: 1823800 3988.9680 20512.2457 14466.3538 235.2906 -203083.9923 2462.4552 0.0000 0.0000 51900.0760 -109518.6030 298.2705 -161418.6790 -109148.7438 298.5661 -234.7320 -207.1803 762867.3283 -24.6797 -24.4524 PRESSURE: 1824000 -331.351 30.8711 131.966 30.8708 -148.014 -126.942 131.968 -126.943 61.967 GPRESSURE: 1824000 -254.529 48.7238 66.0391 107.141 -166.103 -237.834 37.3416 -233.835 75.274 PRESSAVG: 1824000 -5.20269 -46.6481 -23.4418 -46.6481 -7.62993 -79.78 -23.4417 -79.78 -12.8967 GPRESSAVG: 1824000 -5.96323 -45.4561 -22.803 -46.422 -6.75751 -79.9421 -23.7053 -81.4378 -13.4027 TIMING: 1824000 CPU: 5766.86, 0.00314958/step Wall: 5766.86, 0.00314958/step, 2.77863 hours remaining, 237.707031 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: 1824000 3891.3523 20469.6332 14482.5460 255.9274 -203397.2122 2503.6356 0.0000 0.0000 52196.9599 -109597.1578 299.9766 -161794.1177 -109230.7864 298.2713 -139.1326 -115.1195 760741.9042 -8.5765 -8.7078 PRESSURE: 1824200 -593.668 31.6458 154.141 31.646 -181.348 97.6903 154.141 97.6904 -205.127 GPRESSURE: 1824200 -604.837 39.0564 126.766 23.9641 -101.6 61.8235 216.02 80.5638 -185.865 PRESSAVG: 1824200 12.8979 -40.2758 -23.4408 -40.2758 20.684 10.9555 -23.4408 10.9555 -9.16587 GPRESSAVG: 1824200 11.548 -40.9436 -24.6792 -40.0364 20.9254 11.6658 -22.2321 11.0402 -8.18428 TIMING: 1824200 CPU: 5767.49, 0.00315917/step Wall: 5767.49, 0.00315917/step, 2.78691 hours remaining, 237.707031 MB of memory in use. ENERGY: 1824200 4079.5255 20637.3639 14420.6654 259.3428 -203248.2916 2574.7315 0.0000 0.0000 51640.0825 -109636.5799 296.7763 -161276.6624 -109285.7000 298.4412 -326.7145 -297.4342 762674.1323 8.1387 8.0964 LDB: ============= START OF LOAD BALANCING ============== 5780.02 LDB: ============== END OF LOAD BALANCING =============== 5780.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5780.02 LDB: ============= START OF LOAD BALANCING ============== 5780.34 LDB: Largest compute 7043 load 0.028852 is 14.8% of average load 0.195472 LDB: Average compute 0.004362 is 2.2% of average load 0.195472 LDB: TIME 5780.34 LOAD: AVG 0.195472 MAX 0.214341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 5780.34 LOAD: AVG 0.195472 MAX 0.214341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.062 MB LDB: TIME 5780.34 LOAD: AVG 0.195472 MAX 0.214341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.062 MB LDB: ============== END OF LOAD BALANCING =============== 5780.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5780.35 PRESSURE: 1824400 -158.313 -39.5007 -116.391 -39.5007 -289.497 114.797 -116.391 114.798 -130.105 GPRESSURE: 1824400 -137.847 -10.4696 -115.256 -27.3993 -169.466 -1.02431 -78.3527 149.05 -177.48 PRESSAVG: 1824400 10.0299 -27.0548 -2.08435 -27.0548 24.3342 -19.5652 -2.08433 -19.5652 30.1915 GPRESSAVG: 1824400 11.417 -26.4088 -0.122486 -28.5517 23.7975 -22.242 -1.46729 -17.2491 28.865 TIMING: 1824400 CPU: 5768.13, 0.00321638/step Wall: 5768.13, 0.00321638/step, 2.83721 hours remaining, 235.394531 MB of memory in use. ENERGY: 1824400 4075.6129 20435.4686 14486.2654 264.0444 -203373.1493 2566.3826 0.0000 0.0000 52002.0614 -109543.3140 298.8566 -161545.3754 -109168.6557 298.1279 -192.6382 -161.5975 762934.7532 21.5185 21.3598 PRESSURE: 1824600 83.0861 -136.968 -183.531 -136.969 442.189 -14.8688 -183.532 -14.8681 -93.076 GPRESSURE: 1824600 129.763 -170.713 -189.643 -219.461 422.916 33.8252 -198.376 -86.1721 -73.0626 PRESSAVG: 1824600 35.2307 12.4175 15.8091 12.4175 -50.9573 -20.5827 15.8091 -20.5827 -0.151359 GPRESSAVG: 1824600 35.7437 13.0478 14.8306 13.9227 -52.6357 -18.3715 13.9343 -21.2 0.246751 TIMING: 1824600 CPU: 5768.77, 0.00317716/step Wall: 5768.77, 0.00317716/step, 2.80243 hours remaining, 235.597656 MB of memory in use. ENERGY: 1824600 3992.4276 20552.4588 14508.7355 235.4525 -203472.7947 2811.7804 0.0000 0.0000 52034.4561 -109337.4838 299.0427 -161371.9399 -108969.9659 299.3224 144.0664 159.8721 760379.8571 -5.2926 -5.5484 PRESSURE: 1824800 -65.2123 182.707 -20.399 182.708 -18.8709 -4.40446 -20.3995 -4.40504 153.406 GPRESSURE: 1824800 -18.7332 170.725 86.3226 233.2 105.08 -23.8376 -76.0712 -78.4719 71.8746 PRESSAVG: 1824800 44.9061 -41.1485 4.33929 -41.1486 -44.4076 30.4214 4.33927 30.4214 -6.67921 GPRESSAVG: 1824800 45.0147 -43.5418 7.2045 -40.5536 -44.4688 31.2015 3.73203 30.5072 -6.87666 TIMING: 1824800 CPU: 5769.4, 0.0031678/step Wall: 5769.4, 0.0031678/step, 2.794 hours remaining, 235.597656 MB of memory in use. ENERGY: 1824800 3962.6824 20567.7386 14397.1624 226.4215 -202994.3433 2477.6603 0.0000 0.0000 52051.2938 -109311.3842 299.1395 -161362.6780 -108952.6806 299.4320 23.1077 52.7404 761228.0318 -2.0602 -2.1102 PRESSURE: 1825000 226.303 -90.2535 26.4827 -90.2534 143.472 -77.1367 26.4845 -77.1368 172.634 GPRESSURE: 1825000 257.659 13.5247 1.94543 -19.8842 109.81 97.8935 5.16595 -75.8474 272.208 PRESSAVG: 1825000 39.9257 -41.1231 -0.553145 -41.1231 -78.2549 77.0793 -0.553099 77.0793 10.6272 GPRESSAVG: 1825000 40.1668 -39.8254 -2.39995 -41.8806 -78.32 76.743 0.388128 76.9898 11.4117 TIMING: 1825000 CPU: 5770.04, 0.00316382/step Wall: 5770.04, 0.00316382/step, 2.79031 hours remaining, 235.597656 MB of memory in use. ENERGY: 1825000 3957.7075 20452.2273 14479.2958 242.3906 -203365.0801 2689.5828 0.0000 0.0000 52006.8426 -109537.0334 298.8840 -161543.8761 -109181.7967 299.0383 180.8029 213.2260 761734.1540 -9.2340 -8.9138 PRESSURE: 1825200 -414.843 228.004 18.5559 228.005 -7.04473 -34.3092 18.5559 -34.3091 68.3449 GPRESSURE: 1825200 -277.776 108.418 51.3355 222.244 -13.1522 -90.9901 -92.9026 13.5052 12.7654 PRESSAVG: 1825200 24.8202 -18.6833 -12.0187 -18.6833 -20.0676 -31.1481 -12.0187 -31.148 12.8061 GPRESSAVG: 1825200 23.3959 -17.5304 -11.4192 -18.9708 -18.7798 -31.1782 -12.7804 -31.1026 12.509 TIMING: 1825200 CPU: 5770.67, 0.00318666/step Wall: 5770.67, 0.00318666/step, 2.81028 hours remaining, 235.597656 MB of memory in use. ENERGY: 1825200 3957.4975 20545.6986 14434.1955 257.9936 -203237.1360 2519.5148 0.0000 0.0000 52212.9974 -109309.2386 300.0688 -161522.2360 -108943.2953 299.0088 -117.8476 -92.7208 762542.3539 5.8529 5.7084 PRESSURE: 1825400 -278.572 122.256 211.236 122.256 -318.074 186.36 211.237 186.361 209.172 GPRESSURE: 1825400 -196.554 64.9605 165.34 160.603 -257.888 170.75 134.838 49.5945 152.45 PRESSAVG: 1825400 -76.5866 -0.677835 -15.8229 -0.677762 15.7743 13.5139 -15.8228 13.514 6.55719 GPRESSAVG: 1825400 -75.7128 -1.42416 -15.6884 -1.87943 14.9882 13.2063 -15.0894 12.9186 6.91778 TIMING: 1825400 CPU: 5771.31, 0.00317099/step Wall: 5771.31, 0.00317099/step, 2.79628 hours remaining, 235.597656 MB of memory in use. ENERGY: 1825400 3988.0802 20482.2425 14473.4995 260.9561 -203370.4301 2796.4438 0.0000 0.0000 52144.4208 -109224.7874 299.6747 -161369.2082 -108867.6937 299.1049 -129.1581 -100.6641 763294.5509 -18.0850 -17.9356 PRESSURE: 1825600 94.648 -202.615 191.118 -202.615 -522.486 -125.587 191.12 -125.587 -296.199 GPRESSURE: 1825600 31.9924 -80.6665 66.6821 -16.6725 -375.619 -105.75 267.685 -48.7523 -311.842 PRESSAVG: 1825600 24.8907 18.4541 -21.6715 18.4541 -26.2365 -1.12055 -21.6715 -1.1206 -10.8437 GPRESSAVG: 1825600 26.6144 19.2866 -22.5386 19.4733 -27.0703 -2.2354 -19.0679 0.202327 -11.5357 TIMING: 1825600 CPU: 5771.94, 0.00317484/step Wall: 5771.94, 0.00317484/step, 2.7995 hours remaining, 235.597656 MB of memory in use. ENERGY: 1825600 4001.6747 20560.0076 14509.7642 254.3814 -203600.2636 2806.5518 0.0000 0.0000 52488.4168 -108979.4672 301.6517 -161467.8840 -108602.3789 300.1253 -241.3458 -218.4895 762387.7387 -4.0632 -3.9972 PRESSURE: 1825800 55.3587 145.971 -5.85245 145.97 -276.133 124.136 -5.85295 124.136 -305.06 GPRESSURE: 1825800 58.2709 230.397 -45.4516 202.797 -228.84 92.9593 96.5775 143.493 -300.707 PRESSAVG: 1825800 48.1493 21.7517 -0.0922326 21.7518 -75.2117 40.9048 -0.0921435 40.9047 -13.3605 GPRESSAVG: 1825800 45.8785 20.4788 0.643293 24.7802 -74.3963 41.8229 -1.99539 39.5964 -11.7387 TIMING: 1825800 CPU: 5772.57, 0.00315351/step Wall: 5772.57, 0.00315351/step, 2.78052 hours remaining, 235.597656 MB of memory in use. ENERGY: 1825800 4035.9236 20396.8334 14463.9461 251.5891 -202966.2710 2626.7108 0.0000 0.0000 52304.1257 -108887.1422 300.5925 -161191.2679 -108511.5542 300.0737 -175.2781 -157.0920 764393.3768 -13.4743 -13.4188 PRESSURE: 1826000 269.276 103.576 -130.741 103.575 115.769 134.941 -130.741 134.942 -89.2555 GPRESSURE: 1826000 308.107 156.336 -138.914 18.6237 120.198 208.431 -96.4449 167.937 -45.1923 PRESSAVG: 1826000 -1.59451 18.9335 -25.5008 18.9335 -26.4451 80.1671 -25.5007 80.1671 -13.0621 GPRESSAVG: 1826000 -1.63011 18.4574 -25.6013 14.1869 -25.8469 80.6669 -26.1043 81.2111 -13.8801 TIMING: 1826000 CPU: 5773.2, 0.00313105/step Wall: 5773.2, 0.00313105/step, 2.76054 hours remaining, 235.597656 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: 1826000 3996.1147 20503.3913 14449.4760 234.8757 -203481.3404 3064.8051 0.0000 0.0000 52225.0666 -109007.6110 300.1382 -161232.6776 -108641.4143 299.9532 98.5963 127.7044 762585.3215 -13.7006 -13.7857 PRESSURE: 1826200 -88.1545 -57.436 -20.5794 -57.4364 -263.462 139.859 -20.579 139.857 -60.336 GPRESSURE: 1826200 -44.6127 -46.5457 -33.9723 -150.262 -150.876 192.371 -83.3835 278.303 -110.586 PRESSAVG: 1826200 -7.91089 -12.8746 -8.37046 -12.8747 41.7596 -20.0545 -8.37052 -20.0545 -10.4891 GPRESSAVG: 1826200 -7.35366 -10.4504 -8.76974 -11.2946 42.2437 -20.7664 -8.86826 -20.3906 -11.2607 TIMING: 1826200 CPU: 5773.83, 0.00314356/step Wall: 5773.83, 0.00314356/step, 2.7714 hours remaining, 235.597656 MB of memory in use. ENERGY: 1826200 4085.8225 20511.0952 14402.0132 248.5488 -202946.3179 2569.6836 0.0000 0.0000 51996.9270 -109132.2277 298.8271 -161129.1547 -108776.9145 300.4063 -137.3175 -102.0249 762494.6043 7.7865 7.8764 PRESSURE: 1826400 -29.2567 107.881 113.639 107.88 95.6972 74.3399 113.639 74.3395 -519.463 GPRESSURE: 1826400 -40.3791 165.315 66.2059 -9.7013 87.2612 -4.22511 102.622 133.342 -429.855 PRESSAVG: 1826400 12.1476 -47.1242 -2.0403 -47.1243 -7.48544 3.11087 -2.0404 3.11089 -0.313376 GPRESSAVG: 1826400 11.4253 -47.1893 -0.591967 -46.8079 -8.46036 4.35437 -0.191441 2.53421 1.18645 TIMING: 1826400 CPU: 5774.46, 0.00315173/step Wall: 5774.46, 0.00315173/step, 2.77843 hours remaining, 235.597656 MB of memory in use. ENERGY: 1826400 3991.7332 20472.1045 14477.8324 248.0420 -202885.8923 2740.6391 0.0000 0.0000 51916.2552 -109039.2859 298.3634 -160955.5411 -108680.0826 300.1595 -151.0075 -127.6576 763000.5847 1.4496 1.3838 PRESSURE: 1826600 296.408 5.76615 -105.432 5.76602 135.57 32.3735 -105.432 32.3738 437.613 GPRESSURE: 1826600 296.463 -39.554 -117.762 -86.0263 224.564 -8.57116 -178.396 240.835 451.42 PRESSAVG: 1826600 -21.2757 -8.2443 -25.8196 -8.24436 8.80315 44.6418 -25.8197 44.6419 21.7913 GPRESSAVG: 1826600 -19.9048 -9.9805 -27.1062 -7.3168 8.77341 41.6783 -26.0063 48.9611 20.3149 TIMING: 1826600 CPU: 5775.09, 0.00314989/step Wall: 5775.09, 0.00314989/step, 2.77663 hours remaining, 235.597656 MB of memory in use. ENERGY: 1826600 3985.4022 20526.5772 14498.2217 251.9563 -203534.1555 3048.8665 0.0000 0.0000 52214.0003 -109009.1311 300.0746 -161223.1314 -108651.8202 299.9120 289.8636 324.1489 761836.4588 3.1062 3.0612 PRESSURE: 1826800 -12.6324 -159.515 76.3056 -159.515 -80.5425 -184.594 76.3058 -184.594 199.021 GPRESSURE: 1826800 24.2534 -83.1257 39.2026 -158.775 -22.2 -232.16 46.0811 -178.29 183.1 PRESSAVG: 1826800 20.3008 -38.2889 -10.3515 -38.2889 -0.0317877 -29.7126 -10.3515 -29.7125 -0.498988 GPRESSAVG: 1826800 19.0901 -37.0844 -11.071 -40.2439 0.303307 -27.1944 -10.9112 -33.6753 0.194302 TIMING: 1826800 CPU: 5775.72, 0.00316364/step Wall: 5775.72, 0.00316364/step, 2.78857 hours remaining, 235.597656 MB of memory in use. ENERGY: 1826800 4003.0461 20634.3745 14536.2077 261.6531 -203223.3398 2661.4141 0.0000 0.0000 52297.4660 -108829.1783 300.5543 -161126.6443 -108468.6588 300.2810 35.2820 61.7179 762731.9076 6.5900 6.5292 PRESSURE: 1827000 33.5255 -35.7535 70.4395 -35.7534 113.016 112.707 70.4399 112.707 -483.211 GPRESSURE: 1827000 143.321 -30.1365 43.0867 -96.9168 86.1461 68.6206 82.6036 73.3628 -485.055 PRESSAVG: 1827000 -27.3222 -81.8335 4.52829 -81.8336 -29.4538 -8.83763 4.52827 -8.83759 23.8426 GPRESSAVG: 1827000 -25.9562 -82.4774 4.62367 -81.0739 -29.9508 -9.25004 4.72553 -7.85413 23.5122 TIMING: 1827000 CPU: 5776.35, 0.00315123/step Wall: 5776.35, 0.00315123/step, 2.77745 hours remaining, 235.597656 MB of memory in use. ENERGY: 1827000 4000.1685 20435.3081 14530.8121 262.8618 -202720.8823 2216.8420 0.0000 0.0000 52316.3122 -108958.5777 300.6626 -161274.8899 -108588.2704 300.1506 -112.2233 -85.1959 763036.0198 -10.9778 -10.7982 PRESSURE: 1827200 -23.9765 11.9325 -341.975 11.9331 54.7532 -89.5827 -341.976 -89.5828 -336.606 GPRESSURE: 1827200 -39.7316 -3.02217 -374.576 -64.597 77.2306 -119.387 -272.056 -173.02 -244.299 PRESSAVG: 1827200 19.6651 -56.2993 -18.1611 -56.2993 8.20457 -26.7287 -18.1612 -26.7287 20.1797 GPRESSAVG: 1827200 19.0163 -57.594 -18.5979 -56.304 8.90825 -27.6953 -17.7668 -27.0434 20.5345 TIMING: 1827200 CPU: 5776.98, 0.00316056/step Wall: 5776.98, 0.00316056/step, 2.78551 hours remaining, 235.597656 MB of memory in use. ENERGY: 1827200 4017.4000 20624.9998 14423.7534 232.1721 -203228.8390 2554.5656 0.0000 0.0000 52279.5239 -109096.4242 300.4511 -161375.9481 -108733.4473 300.1614 -101.9430 -68.9334 759463.7045 16.0165 16.1530 PRESSURE: 1827400 -114.215 -131.137 56.3145 -131.137 66.3113 122.741 56.3144 122.741 330.876 GPRESSURE: 1827400 -51.9105 -57.0598 116.215 -117.022 130.753 116.471 -51.0426 64.4703 309.931 PRESSAVG: 1827400 -9.18607 -21.2786 22.5495 -21.2787 -11.5887 37.0374 22.5495 37.0374 16.1824 GPRESSAVG: 1827400 -9.56568 -20.3187 23.2772 -19.7629 -12.0915 37.3863 20.5345 34.9672 16.4527 TIMING: 1827400 CPU: 5777.62, 0.00316005/step Wall: 5777.62, 0.00316005/step, 2.78489 hours remaining, 235.597656 MB of memory in use. ENERGY: 1827400 3976.1056 20587.1088 14545.7528 256.4534 -203380.9245 2705.7441 0.0000 0.0000 52124.3562 -109185.4036 299.5594 -161309.7599 -108823.1707 299.8291 94.3239 129.5913 760532.5252 -1.5308 -1.7348 PRESSURE: 1827600 250.363 189.434 57.7439 189.434 74.6861 169.897 57.7437 169.896 56.5522 GPRESSURE: 1827600 228.972 330.113 42.8276 83.3807 188.975 108.712 -73.1324 281.919 60.9361 PRESSAVG: 1827600 35.9642 -12.741 -4.99018 -12.741 -20.4329 -20.9332 -4.99019 -20.9333 5.75636 GPRESSAVG: 1827600 34.718 -14.3169 -5.80773 -13.0943 -19.4192 -20.7325 -3.29419 -17.9507 5.78641 TIMING: 1827600 CPU: 5778.25, 0.00314614/step Wall: 5778.25, 0.00314614/step, 2.77245 hours remaining, 235.597656 MB of memory in use. ENERGY: 1827600 4021.8030 20655.4872 14446.2958 282.4190 -203232.0902 2552.2332 0.0000 0.0000 52234.0282 -109039.8237 300.1897 -161273.8519 -108674.2761 300.2575 127.2004 159.6279 762268.2817 7.0959 7.0284 PRESSURE: 1827800 144.936 18.4706 -104.191 18.4705 119.26 -7.3686 -104.19 -7.36866 -277.067 GPRESSURE: 1827800 212.202 85.3343 -140.965 86.7327 91.1919 -15.4642 -6.12791 -105.087 -219.124 PRESSAVG: 1827800 -14.3569 -6.66192 29.7584 -6.66187 -5.43217 2.10807 29.7584 2.10804 -17.7082 GPRESSAVG: 1827800 -13.4403 -6.21824 30.1758 -5.95513 -6.93889 1.53912 28.6864 0.96079 -17.2792 TIMING: 1827800 CPU: 5778.88, 0.00316696/step Wall: 5778.88, 0.00316696/step, 2.79062 hours remaining, 235.597656 MB of memory in use. ENERGY: 1827800 3974.3162 20573.0810 14515.6417 235.1766 -203254.9575 2676.3082 0.0000 0.0000 52155.9792 -109124.4546 299.7411 -161280.4337 -108758.4300 300.0405 -4.2902 28.0899 762040.4508 -12.4991 -12.5528 PRESSURE: 1828000 35.7949 -71.5273 -50.826 -71.5263 58.5412 7.16467 -50.8258 7.16431 -12.4708 GPRESSURE: 1828000 37.5225 -33.5444 -35.7543 -11.1035 77.3479 31.0425 37.1226 -53.3183 47.2741 PRESSAVG: 1828000 30.6985 -15.1065 27.6462 -15.1065 -53.6943 -21.4724 27.6461 -21.4725 -12.9485 GPRESSAVG: 1828000 31.7863 -13.3262 28.0951 -16.6111 -55.1563 -20.6183 29.4829 -20.9712 -13.0133 TIMING: 1828000 CPU: 5779.51, 0.00317818/step Wall: 5779.51, 0.00317818/step, 2.80033 hours remaining, 235.597656 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: 1828000 3953.0279 20610.6978 14445.0340 258.9272 -203445.6376 2761.2632 0.0000 0.0000 52127.4862 -109289.2012 299.5774 -161416.6874 -108928.6022 299.4964 27.2885 54.0482 762345.8846 -11.9814 -12.1278 PRESSURE: 1828200 -101.914 -110.575 13.124 -110.575 -39.2736 132.202 13.1237 132.201 132.429 GPRESSURE: 1828200 -151.25 -136.227 -40.4545 48.1726 43.6004 143.975 0.698501 0.387973 159.561 PRESSAVG: 1828200 -20.4591 -14.434 -0.537964 -14.4341 26.9505 -21.9322 -0.538077 -21.9322 17.7788 GPRESSAVG: 1828200 -22.2147 -16.3798 -2.17267 -12.2941 29.8079 -22.8584 -1.41325 -21.5877 17.0379 TIMING: 1828200 CPU: 5780.14, 0.0031452/step Wall: 5780.14, 0.00314519/step, 2.77109 hours remaining, 235.597656 MB of memory in use. ENERGY: 1828200 3981.9986 20564.2186 14522.7869 234.9597 -203438.8830 2515.4956 0.0000 0.0000 52254.7384 -109364.6852 300.3087 -161619.4236 -108993.9267 299.6255 -2.9198 17.3038 761424.4832 8.0901 8.2104 LDB: ============= START OF LOAD BALANCING ============== 5792.67 LDB: ============== END OF LOAD BALANCING =============== 5792.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5792.68 LDB: ============= START OF LOAD BALANCING ============== 5792.99 LDB: Largest compute 7043 load 0.029550 is 15.1% of average load 0.195528 LDB: Average compute 0.004376 is 2.2% of average load 0.195528 LDB: TIME 5792.99 LOAD: AVG 0.195528 MAX 0.213104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.707 MB LDB: TIME 5793 LOAD: AVG 0.195528 MAX 0.213104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.91 MB LDB: TIME 5793 LOAD: AVG 0.195528 MAX 0.213104 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.91 MB LDB: ============== END OF LOAD BALANCING =============== 5793 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5793 PRESSURE: 1828400 -214.602 -167.277 -25.1199 -167.277 117.311 -126.524 -25.1196 -126.525 -91.845 GPRESSURE: 1828400 -193.297 -137.563 -3.36618 -141.898 106.497 -211.238 -118.129 1.11112 -17.5131 PRESSAVG: 1828400 -31.8978 -41.4513 -8.88685 -41.4513 44.8004 -64.1215 -8.88683 -64.1214 -9.8174 GPRESSAVG: 1828400 -30.6666 -40.1614 -5.82322 -43.2472 43.7194 -62.8814 -11.5484 -64.6761 -9.56458 TIMING: 1828400 CPU: 5780.79, 0.00321405/step Wall: 5780.79, 0.00321405/step, 2.83158 hours remaining, 234.882812 MB of memory in use. ENERGY: 1828400 3945.4057 20451.3060 14452.0800 261.9770 -203177.8980 2451.5710 0.0000 0.0000 52148.8183 -109466.7400 299.7000 -161615.5583 -109100.3759 299.0974 -63.0454 -34.7709 762429.3208 1.0284 1.1627 PRESSURE: 1828600 106.658 67.6582 101.706 67.6579 -23.71 -83.0017 101.706 -83.0022 227.675 GPRESSURE: 1828600 163.137 99.6745 90.8319 73.3181 61.4066 -64.9831 126.821 -48.9088 182.804 PRESSAVG: 1828600 -32.1523 -24.5703 8.5367 -24.5704 59.6689 -21.274 8.5367 -21.2739 -0.562071 GPRESSAVG: 1828600 -31.2528 -25.937 7.65384 -23.4348 59.3329 -22.1431 10.6304 -20.6889 -1.38307 TIMING: 1828600 CPU: 5781.42, 0.00316684/step Wall: 5781.42, 0.00316684/step, 2.78981 hours remaining, 234.882812 MB of memory in use. ENERGY: 1828600 4044.0013 20526.7685 14476.7811 246.3099 -203280.0943 2629.0333 0.0000 0.0000 52053.2091 -109303.9911 299.1505 -161357.2002 -108936.6364 299.4570 103.5408 135.7823 761790.6331 8.9848 8.8990 PRESSURE: 1828800 228.64 -182.513 59.5988 -182.513 45.2469 -0.299496 59.5986 -0.299079 125.839 GPRESSURE: 1828800 310.894 -187.986 31.7754 -210.15 28.5462 17.5636 -50.6637 64.3297 144.203 PRESSAVG: 1828800 9.30217 -48.5493 -14.4779 -48.5493 -35.2137 34.8497 -14.4779 34.8497 5.57435 GPRESSAVG: 1828800 7.67177 -46.307 -15.3605 -49.2038 -34.3547 34.7429 -13.6988 31.561 5.59875 TIMING: 1828800 CPU: 5782.05, 0.0031514/step Wall: 5782.05, 0.0031514/step, 2.77604 hours remaining, 234.882812 MB of memory in use. ENERGY: 1828800 3898.7300 20567.5231 14441.9823 226.0759 -203155.3156 2690.2508 0.0000 0.0000 52193.4400 -109137.3135 299.9564 -161330.7535 -108772.9006 299.2987 133.2420 161.2146 761809.8416 -6.7790 -7.0281 PRESSURE: 1829000 471.979 -24.3006 -270.606 -24.3007 7.99955 -82.3315 -270.605 -82.3331 136.749 GPRESSURE: 1829000 515.942 40.3335 -181.551 -31.1822 5.04334 -13.2224 -170.269 16.5752 164.515 PRESSAVG: 1829000 26.5235 -21.6484 8.18634 -21.6485 28.8316 -67.1029 8.18633 -67.1029 -2.69073 GPRESSAVG: 1829000 27.9327 -21.0476 8.73972 -23.7891 27.1483 -66.5321 5.93125 -65.2184 -2.49887 TIMING: 1829000 CPU: 5782.69, 0.00319066/step Wall: 5782.69, 0.00319066/step, 2.81044 hours remaining, 234.882812 MB of memory in use. ENERGY: 1829000 3991.4844 20543.5808 14471.8436 263.2213 -203351.1448 2834.1767 0.0000 0.0000 52286.2155 -108960.6224 300.4896 -161246.8379 -108608.3780 299.8323 205.5758 228.5002 761388.7274 17.5548 17.5274 PRESSURE: 1829200 -154.942 -47.2452 105.5 -47.2444 -232.966 13.0501 105.499 13.0499 79.1896 GPRESSURE: 1829200 -178.593 -138.893 160.568 -50.6783 -79.7563 28.0417 29.5627 34.7202 51.0436 PRESSAVG: 1829200 -17.7285 -46.4422 -11.3496 -46.4423 13.9719 5.69172 -11.3496 5.69164 8.02445 GPRESSAVG: 1829200 -19.1324 -50.0109 -10.2578 -45.8827 16.2353 6.46956 -9.37602 5.79545 7.42206 TIMING: 1829200 CPU: 5783.32, 0.0031627/step Wall: 5783.32, 0.0031627/step, 2.78564 hours remaining, 234.882812 MB of memory in use. ENERGY: 1829200 3977.3733 20771.4588 14581.9547 241.2259 -203146.7816 2430.8930 0.0000 0.0000 52079.7240 -109064.1520 299.3029 -161143.8760 -108693.2938 299.7494 -102.9061 -69.1020 763488.7381 1.4226 1.5083 PRESSURE: 1829400 146.248 -107.757 10.8902 -107.758 154.059 140.983 10.8906 140.983 152.849 GPRESSURE: 1829400 156.232 -93.5687 65.688 -136.129 190.442 164.952 -64.7065 117.228 169.551 PRESSAVG: 1829400 40.1518 12.7239 32.4867 12.724 -20.1193 -15.4635 32.4868 -15.4634 15.7682 GPRESSAVG: 1829400 41.3815 13.1597 33.5049 12.7629 -20.7895 -15.0232 32.2483 -14.7074 15.6182 TIMING: 1829400 CPU: 5783.95, 0.00316939/step Wall: 5783.95, 0.00316939/step, 2.79136 hours remaining, 234.882812 MB of memory in use. ENERGY: 1829400 3896.4821 20730.2884 14640.6093 248.9889 -203253.2080 2939.1942 0.0000 0.0000 51917.4969 -108880.1480 298.3706 -160797.6449 -108512.2075 299.6552 151.0521 172.0749 762716.5874 11.9336 12.0701 PRESSURE: 1829600 56.9776 29.7925 80.6472 29.7917 84.1232 38.9423 80.6473 38.9425 208.029 GPRESSURE: 1829600 80.3485 102.232 124.667 -105.411 157.963 -83.1578 -15.286 -5.79708 167.124 PRESSAVG: 1829600 -14.1822 -5.55702 36.9909 -5.55698 59.2076 -6.13781 36.991 -6.13781 10.2104 GPRESSAVG: 1829600 -14.8178 -5.57018 34.8345 -3.83157 59.1625 -7.36259 37.1782 -7.63855 10.7185 TIMING: 1829600 CPU: 5784.59, 0.00317428/step Wall: 5784.59, 0.00317428/step, 2.79548 hours remaining, 234.882812 MB of memory in use. ENERGY: 1829600 4068.5147 20645.8428 14587.1856 255.2173 -203172.2056 2744.5494 0.0000 0.0000 52107.7430 -108763.1528 299.4639 -160870.8958 -108400.6257 300.0579 116.3766 135.1451 762616.7697 18.4119 18.3544 PRESSURE: 1829800 81.5343 93.9177 -5.50737 93.9174 20.2668 -271.872 -5.50709 -271.872 -118.675 GPRESSURE: 1829800 129.223 151.919 -35.6521 67.896 19.7369 -224.515 -58.9936 -291.219 -67.6502 PRESSAVG: 1829800 -40.4485 -24.955 -40.9326 -24.9551 30.893 -30.8185 -40.9327 -30.8185 8.72283 GPRESSAVG: 1829800 -38.9732 -23.2646 -42.0774 -24.7991 29.65 -31.8175 -42.5639 -30.1434 9.033 TIMING: 1829800 CPU: 5785.22, 0.00314494/step Wall: 5785.22, 0.00314494/step, 2.76947 hours remaining, 234.882812 MB of memory in use. ENERGY: 1829800 3992.9965 20632.1017 14572.7592 249.7314 -203197.0327 2839.9116 0.0000 0.0000 52242.1052 -108667.4270 300.2361 -160909.5322 -108317.3809 300.1320 -5.6246 27.1034 762435.0880 -0.2776 -0.0967 PRESSURE: 1830000 69.642 22.1535 -162.871 22.1541 -266.47 -23.9798 -162.871 -23.9811 51.2249 GPRESSURE: 1830000 13.1039 -64.1185 -149.558 21.5676 -197.552 25.1513 -215.985 84.2637 136.195 PRESSAVG: 1830000 1.7785 27.5163 -9.93876 27.5163 -21.9037 16.9689 -9.9388 16.9689 -0.240458 GPRESSAVG: 1830000 -1.42636 26.9614 -10.6643 23.7506 -19.6392 17.4215 -7.4376 18.8447 0.442833 TIMING: 1830000 CPU: 5785.85, 0.00314996/step Wall: 5785.85, 0.00314996/step, 2.77371 hours remaining, 234.882812 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: 1830000 3860.8938 20555.2878 14503.9157 239.2441 -202754.8079 2699.2695 0.0000 0.0000 52273.8158 -108622.3811 300.4183 -160896.1969 -108251.6529 300.3221 -48.5343 -16.0845 762734.2717 -6.7886 -6.8743 PRESSURE: 1830200 49.1586 -130.609 -9.08521 -130.609 194.808 193.204 -9.08529 193.203 -391.291 GPRESSURE: 1830200 -14.501 1.04098 59.6933 -98.3709 304.146 136.342 -66.7323 196.206 -360.798 PRESSAVG: 1830200 -34.2442 32.7116 -32.5628 32.7115 5.21542 105.888 -32.5628 105.888 19.7795 GPRESSAVG: 1830200 -33.2139 33.0052 -30.4889 33.6993 4.18498 107.814 -33.3385 104.202 18.7654 TIMING: 1830200 CPU: 5786.48, 0.00314658/step Wall: 5786.48, 0.00314658/step, 2.77056 hours remaining, 234.882812 MB of memory in use. ENERGY: 1830200 4034.3665 20670.0899 14522.1983 235.9670 -202664.4101 2320.0667 0.0000 0.0000 52349.9878 -108531.7338 300.8561 -160881.7216 -108164.0519 300.8262 -49.1081 -23.7174 763818.6864 -3.0831 -3.4212 PRESSURE: 1830400 77.491 60.2973 -69.4146 60.2967 99.2623 13.0762 -69.4151 13.0767 -88.4764 GPRESSURE: 1830400 153.412 69.6072 -48.2261 86.2562 173.803 -15.6968 -161.61 3.85375 -153.735 PRESSAVG: 1830400 -9.23405 20.2456 -26.8369 20.2456 27.3838 33.339 -26.8368 33.339 1.17336 GPRESSAVG: 1830400 -8.25107 18.8141 -28.0802 22.3475 25.9582 32.8433 -25.1615 33.6915 1.01308 TIMING: 1830400 CPU: 5787.11, 0.00315975/step Wall: 5787.11, 0.00315975/step, 2.78198 hours remaining, 234.882812 MB of memory in use. ENERGY: 1830400 4027.2529 20719.6125 14555.5504 250.8244 -202937.6709 2585.7908 0.0000 0.0000 52039.0505 -108759.5894 299.0691 -160798.6399 -108395.8921 300.5880 29.4256 57.8267 762524.0445 6.4410 6.2401 PRESSURE: 1830600 139.359 -44.0167 -148.91 -44.0165 -31.218 -82.3289 -148.91 -82.33 8.89608 GPRESSURE: 1830600 99.4255 -56.4717 -186.248 -91.1968 3.19487 -74.4507 -120.567 56.1809 86.6201 PRESSAVG: 1830600 -73.3837 -12.7245 -32.8625 -12.7245 56.6398 35.0032 -32.8626 35.0032 15.0156 GPRESSAVG: 1830600 -73.6852 -13.3243 -31.7843 -13.563 57.2134 32.4914 -33.0464 37.0872 15.3309 TIMING: 1830600 CPU: 5787.75, 0.00319684/step Wall: 5787.75, 0.00319684/step, 2.81446 hours remaining, 234.882812 MB of memory in use. ENERGY: 1830600 4028.9420 20601.2991 14509.7417 249.5824 -203231.2015 2743.3513 0.0000 0.0000 52474.7021 -108623.5828 301.5728 -161098.2849 -108261.5213 300.5274 39.0125 63.0801 762271.8277 -0.5761 -0.3803 PRESSURE: 1830800 2.55677 165.182 30.2982 165.182 -54.8232 -129.13 30.2988 -129.129 48.829 GPRESSURE: 1830800 11.5749 160.663 38.3529 132.794 35.8454 -71.7252 28.052 -126.579 6.24174 PRESSAVG: 1830800 -26.7873 -17.7292 -0.887232 -17.7292 15.9278 -2.68884 -0.887249 -2.68881 13.9647 GPRESSAVG: 1830800 -27.9066 -17.0194 -1.84089 -17.351 17.0054 -0.609663 -2.33282 -3.31334 14.2168 TIMING: 1830800 CPU: 5788.38, 0.00315518/step Wall: 5788.38, 0.00315518/step, 2.77761 hours remaining, 234.882812 MB of memory in use. ENERGY: 1830800 3926.4313 20562.2335 14507.4278 253.7549 -203176.1166 2729.4637 0.0000 0.0000 52679.0491 -108517.7562 302.7472 -161196.8053 -108144.4511 301.0492 -1.1458 17.8874 762525.6484 1.0351 1.1052 PRESSURE: 1831000 32.0145 -149.325 -165.763 -149.324 61.0753 53.054 -165.763 53.0537 338.794 GPRESSURE: 1831000 36.04 -34.7048 -220.135 -87.8306 147.823 53.5833 -221.956 25.5366 337.334 PRESSAVG: 1831000 -33.1071 2.69415 -20.5928 2.69417 19.5206 29.396 -20.5928 29.3959 8.21302 GPRESSAVG: 1831000 -31.9107 3.13403 -20.7399 2.16694 18.0528 27.8831 -19.2245 29.7599 8.63698 TIMING: 1831000 CPU: 5789.01, 0.00314028/step Wall: 5789.01, 0.00314028/step, 2.76432 hours remaining, 234.882812 MB of memory in use. ENERGY: 1831000 3922.3243 20560.9817 14560.0042 237.2796 -203266.6449 2771.6246 0.0000 0.0000 52359.0568 -108855.3737 300.9082 -161214.4305 -108487.7810 300.3049 143.9612 173.7322 762953.5326 -1.7912 -1.7403 PRESSURE: 1831200 120.962 237.498 40.3396 237.499 96.6499 -182.774 40.3401 -182.774 112.769 GPRESSURE: 1831200 110.31 164.682 42.2626 204.184 101.63 -178.69 19.415 -121.749 194.754 PRESSAVG: 1831200 -5.06807 17.8388 -20.4657 17.8388 15.747 12.4692 -20.4657 12.4692 -2.63779 GPRESSAVG: 1831200 -6.16605 18.2796 -19.4039 19.6315 15.361 11.9972 -21.4704 12.1017 -1.9458 TIMING: 1831200 CPU: 5789.64, 0.00315441/step Wall: 5789.64, 0.00315441/step, 2.77658 hours remaining, 234.882812 MB of memory in use. ENERGY: 1831200 3994.4886 20596.3315 14436.9609 269.2893 -203199.3581 2599.5786 0.0000 0.0000 52102.1207 -109200.5886 299.4316 -161302.7093 -108841.6557 300.0539 110.1268 135.5646 762245.8333 2.6804 2.4164 PRESSURE: 1831400 -210.49 -180.291 -17.4989 -180.291 217.317 -74.8577 -17.4992 -74.8583 -30.2982 GPRESSURE: 1831400 -150.529 -98.1308 78.2879 -176.209 164.097 10.9456 -122.929 -70.3004 64.846 PRESSAVG: 1831400 -47.6266 -37.4635 -26.0957 -37.4635 70.5574 0.613399 -26.0957 0.613387 13.6172 GPRESSAVG: 1831400 -46.0017 -37.5842 -24.2193 -39.8834 70.6902 3.37546 -27.3348 -0.846937 12.2965 TIMING: 1831400 CPU: 5790.27, 0.00316049/step Wall: 5790.27, 0.00316049/step, 2.78176 hours remaining, 234.882812 MB of memory in use. ENERGY: 1831400 3905.5894 20594.4828 14533.0723 252.3649 -203183.3014 2683.9116 0.0000 0.0000 52033.8663 -109180.0141 299.0393 -161213.8804 -108836.8377 299.7851 -7.8235 26.1379 761436.3759 12.1827 12.3283 PRESSURE: 1831600 163.007 221.466 -16.7825 221.466 67.2551 -50.1634 -16.7826 -50.1624 202.24 GPRESSURE: 1831600 187.714 145.695 33.9243 181.111 168.463 -117.284 -104.993 22.6091 174.775 PRESSAVG: 1831600 -19.1943 -16.6232 21.174 -16.6232 23.2834 9.57152 21.174 9.57152 16.6728 GPRESSAVG: 1831600 -20.2538 -16.3674 17.7154 -19.0941 23.235 8.37755 20.678 10.6242 17.5995 TIMING: 1831600 CPU: 5790.9, 0.00313466/step Wall: 5790.9, 0.00313466/step, 2.75885 hours remaining, 234.882812 MB of memory in use. ENERGY: 1831600 3957.7390 20581.9670 14467.3837 255.5409 -203483.0978 2806.8283 0.0000 0.0000 52167.6061 -109246.0328 299.8079 -161413.6389 -108881.0461 299.3437 144.1674 176.9841 760771.3263 6.9206 6.8602 PRESSURE: 1831800 -132.241 41.2235 149.127 41.223 -205.941 -69.2857 149.127 -69.2862 -90.6489 GPRESSURE: 1831800 -115.057 21.6814 160.551 178.68 -202.681 -63.1208 69.4435 -9.67787 -25.8743 PRESSAVG: 1831800 -29.329 -21.8779 6.07443 -21.8779 28.8056 13.9378 6.07448 13.9378 0.566217 GPRESSAVG: 1831800 -28.8958 -23.7407 9.18866 -17.7456 28.7822 13.9915 5.95046 13.4525 0.5287 TIMING: 1831800 CPU: 5791.53, 0.00315953/step Wall: 5791.53, 0.00315953/step, 2.78057 hours remaining, 234.882812 MB of memory in use. ENERGY: 1831800 4051.3083 20693.3649 14482.4842 246.2839 -203031.7783 2392.4105 0.0000 0.0000 52244.5343 -108921.3922 300.2501 -161165.9264 -108567.0419 299.6403 -142.9437 -114.5375 762434.2341 0.0143 0.1384 PRESSURE: 1832000 463.613 25.7214 -18.7613 25.7207 119.321 156.423 -18.7611 156.423 168.034 GPRESSURE: 1832000 323.451 40.9209 -10.4218 -23.5521 165.035 129.241 -46.5752 33.7146 324.527 PRESSAVG: 1832000 7.61296 13.544 54.1776 13.544 23.1786 85.5229 54.1776 85.5229 11.0478 GPRESSAVG: 1832000 7.65226 15.1507 52.688 13.1172 23.3997 84.9429 54.7863 85.9056 10.4517 TIMING: 1832000 CPU: 5792.16, 0.00316256/step Wall: 5792.16, 0.00316256/step, 2.78306 hours remaining, 234.882812 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: 1832000 3907.9953 20630.0832 14488.3903 246.3005 -203329.3491 2775.8384 0.0000 0.0000 52293.5722 -108987.1693 300.5319 -161280.7415 -108619.5274 300.2972 250.3227 271.0045 760039.5724 13.9465 13.8346 PRESSURE: 1832200 -460.38 185.712 110.071 185.712 148.069 -3.03921 110.072 -3.03887 193.567 GPRESSURE: 1832200 -359.818 188.346 150.439 106.677 102.295 11.7295 182.822 -44.7627 221.029 PRESSAVG: 1832200 3.06508 -24.6819 -5.33738 -24.6819 6.97688 51.0595 -5.33744 51.0596 4.95444 GPRESSAVG: 1832200 2.27915 -26.8336 -4.96369 -24.7087 7.35699 51.2724 -3.59999 51.8595 5.1332 TIMING: 1832200 CPU: 5792.79, 0.00315873/step Wall: 5792.79, 0.00315873/step, 2.77951 hours remaining, 234.882812 MB of memory in use. ENERGY: 1832200 4082.6803 20574.6218 14508.0624 260.1035 -202851.5385 2596.0224 0.0000 0.0000 52121.6714 -108708.3767 299.5440 -160830.0481 -108342.8105 300.1955 -39.5815 -12.1644 763633.6779 4.9988 4.9231 LDB: ============= START OF LOAD BALANCING ============== 5805.33 LDB: ============== END OF LOAD BALANCING =============== 5805.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5805.33 LDB: ============= START OF LOAD BALANCING ============== 5805.64 LDB: Largest compute 7037 load 0.029805 is 15.2% of average load 0.195494 LDB: Average compute 0.004359 is 2.2% of average load 0.195494 LDB: TIME 5805.65 LOAD: AVG 0.195494 MAX 0.21722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 5805.65 LOAD: AVG 0.195494 MAX 0.21722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 5805.65 LOAD: AVG 0.195494 MAX 0.21722 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 5805.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5805.65 PRESSURE: 1832400 158.557 -125.694 -191.079 -125.695 -195.069 -84.312 -191.079 -84.3125 370.289 GPRESSURE: 1832400 137.617 -139.834 -92.3425 -127.614 -118.013 -104.911 -137.237 -141.973 414.612 PRESSAVG: 1832400 -64.3285 -39.9889 13.8896 -39.9889 61.9866 -5.94722 13.8896 -5.94716 0.981166 GPRESSAVG: 1832400 -64.3482 -36.9548 15.3376 -40.7919 62.4321 -5.26992 11.5903 -5.65841 1.26321 TIMING: 1832400 CPU: 5793.44, 0.00320958/step Wall: 5793.44, 0.00320958/step, 2.82408 hours remaining, 235.652344 MB of memory in use. ENERGY: 1832400 4040.8532 20516.7538 14463.2381 256.9520 -202915.5785 2736.7316 0.0000 0.0000 52337.9795 -108563.0703 300.7871 -160901.0498 -108201.2205 300.7055 111.2593 144.7385 763621.1194 -0.4536 -0.2176 PRESSURE: 1832600 -105.183 -27.7204 -117.741 -27.7201 522.831 80.2322 -117.74 80.2332 303.836 GPRESSURE: 1832600 -56.728 72.7232 -49.2769 -80.5604 573.198 61.8399 -3.30049 66.35 293.101 PRESSAVG: 1832600 -2.53672 2.50101 9.25396 2.50096 40.1527 -0.237225 9.2539 -0.237269 4.71831 GPRESSAVG: 1832600 -2.29005 2.64511 8.49626 4.19457 40.4914 0.289365 8.55403 -2.10376 4.41931 TIMING: 1832600 CPU: 5794.07, 0.00314597/step Wall: 5794.07, 0.00314597/step, 2.76793 hours remaining, 235.925781 MB of memory in use. ENERGY: 1832600 3982.7875 20565.6689 14493.3094 280.4433 -203404.7665 2909.2057 0.0000 0.0000 52427.6683 -108745.6833 301.3025 -161173.3517 -108374.6678 300.4366 240.4945 269.8573 760318.4673 14.1114 14.2069 PRESSURE: 1832800 -272.005 -21.233 -112.519 -21.2327 -192.528 62.7223 -112.519 62.7227 -595.484 GPRESSURE: 1832800 -262.619 26.6053 -108.352 -164.58 -195.026 45.8504 -102.472 -52.6154 -514.605 PRESSAVG: 1832800 -70.8225 0.777694 33.5909 0.777694 79.5404 1.12404 33.5908 1.124 -12.1944 GPRESSAVG: 1832800 -71.5636 0.0809398 33.972 -1.97222 78.6489 1.26222 34.8284 0.768254 -11.5396 TIMING: 1832800 CPU: 5794.7, 0.0031555/step Wall: 5794.7, 0.0031555/step, 2.77614 hours remaining, 235.925781 MB of memory in use. ENERGY: 1832800 4037.9449 20547.5588 14402.3116 242.9618 -202240.8901 2084.8212 0.0000 0.0000 52205.3121 -108719.9799 300.0246 -160925.2919 -108356.7211 300.7386 -353.3390 -324.0834 764520.0852 -1.1588 -1.4848 PRESSURE: 1833000 -170.463 -171.667 -159.71 -171.668 224.731 232.827 -159.709 232.828 84.0394 GPRESSURE: 1833000 -62.7258 -204.707 -194.891 -69.3719 237.38 200.363 -34.8473 174.688 54.2768 PRESSAVG: 1833000 -64.3161 -45.3275 -20.4296 -45.3276 79.0851 3.74639 -20.4296 3.74638 -9.49515 GPRESSAVG: 1833000 -64.348 -47.0717 -21.2372 -43.698 80.9795 2.71833 -19.994 3.79778 -11.5756 TIMING: 1833000 CPU: 5795.33, 0.00316105/step Wall: 5795.33, 0.00316105/step, 2.78085 hours remaining, 235.925781 MB of memory in use. ENERGY: 1833000 4013.7081 20538.6497 14402.1891 253.1265 -203175.4548 2777.0624 0.0000 0.0000 52365.6528 -108825.0662 300.9461 -161190.7190 -108462.9606 300.5846 46.1022 76.3103 763109.4720 1.7580 1.6853 PRESSURE: 1833200 42.4081 16.6037 -51.0651 16.6048 -137.077 -238.865 -51.064 -238.866 -55.3883 GPRESSURE: 1833200 17.6415 54.9471 -172.502 -36.5302 -138.831 -185.23 -92.6014 -229.935 64.8373 PRESSAVG: 1833200 -47.8785 -47.5207 -1.69486 -47.5206 17.8931 -15.7504 -1.69484 -15.7505 16.7167 GPRESSAVG: 1833200 -47.9976 -45.2034 -3.21287 -48.9487 16.481 -16.2034 -0.255492 -14.2928 17.7372 TIMING: 1833200 CPU: 5795.96, 0.00316991/step Wall: 5795.96, 0.00316991/step, 2.78847 hours remaining, 235.925781 MB of memory in use. ENERGY: 1833200 3974.5666 20706.8190 14462.0568 232.6141 -203461.8389 2725.7538 0.0000 0.0000 52231.2224 -109128.8061 300.1736 -161360.0286 -108761.0657 299.8821 -50.0190 -18.7841 762417.3760 -4.4229 -4.5931 PRESSURE: 1833400 -190.797 -6.73201 -55.4332 -6.73302 139.724 -144.895 -55.4328 -144.895 122.762 GPRESSURE: 1833400 -128.531 25.0208 -141.934 49.8094 150.592 -143.165 -4.72927 -7.267 133.125 PRESSAVG: 1833400 -25.7236 -26.3522 -16.1223 -26.3522 33.1201 -17.3973 -16.1224 -17.3973 -8.30261 GPRESSAVG: 1833400 -25.4895 -26.0856 -15.948 -24.9582 32.9541 -18.5855 -17.5056 -17.1583 -7.67824 TIMING: 1833400 CPU: 5796.6, 0.0031942/step Wall: 5796.6, 0.0031942/step, 2.80966 hours remaining, 235.925781 MB of memory in use. ENERGY: 1833400 3979.1281 20512.9769 14488.6574 251.2933 -203076.5745 2654.4132 0.0000 0.0000 52212.7762 -108977.3293 300.0675 -161190.1054 -108611.7615 299.9905 23.8962 51.7289 762350.3681 -0.3020 -0.0712 PRESSURE: 1833600 389.908 187.933 77.4408 187.934 439.133 324.464 77.4399 324.464 140.83 GPRESSURE: 1833600 471.76 228.037 23.1551 159.756 409.631 250.589 206.014 233.851 172.066 PRESSAVG: 1833600 -50.6401 -50.7196 20.4188 -50.7197 46.0251 20.5342 20.4188 20.5342 5.28064 GPRESSAVG: 1833600 -49.5977 -50.4858 21.5231 -51.8914 45.0477 22.1407 19.324 20.2478 5.07985 TIMING: 1833600 CPU: 5797.24, 0.00318254/step Wall: 5797.24, 0.00318254/step, 2.79922 hours remaining, 235.925781 MB of memory in use. ENERGY: 1833600 3927.0449 20371.9364 14452.1419 235.8571 -203145.1965 2697.6621 0.0000 0.0000 52329.2652 -109131.2889 300.7370 -161460.5541 -108766.4337 300.1604 323.2900 351.1521 761386.3119 0.2219 0.1766 PRESSURE: 1833800 -235.988 13.8444 -189.163 13.8449 179.411 212.868 -189.163 212.867 -206.192 GPRESSURE: 1833800 -134.942 115.511 -173.859 -76.2077 230.786 231.086 -163.542 198.081 -249.349 PRESSAVG: 1833800 16.4061 -54.3978 16.014 -54.3978 -13.3129 28.0279 16.014 28.0279 15.2856 GPRESSAVG: 1833800 16.0469 -54.6181 15.4893 -55.7138 -11.8955 29.0066 19.4506 26.3614 13.9248 TIMING: 1833800 CPU: 5797.87, 0.00315074/step Wall: 5797.87, 0.00315074/step, 2.77108 hours remaining, 235.925781 MB of memory in use. ENERGY: 1833800 4029.8277 20793.8585 14449.3507 246.0727 -202956.7888 2405.7025 0.0000 0.0000 52067.2070 -108964.7698 299.2310 -161031.9768 -108598.8033 299.6859 -87.5897 -51.1684 761991.0343 6.1263 6.0254 PRESSURE: 1834000 -63.3564 -198.3 -51.9641 -198.3 301.178 -140.751 -51.9642 -140.751 -15.6576 GPRESSURE: 1834000 31.9472 -118.515 -31.0128 -128.926 230.639 -45.449 -87.5077 -162.411 48.97 PRESSAVG: 1834000 -46.7916 31.8381 32.7094 31.8382 68.2584 21.6895 32.7093 21.6896 -26.3518 GPRESSAVG: 1834000 -44.8267 30.8315 31.3351 32.8304 66.4607 20.9506 29.9483 21.1838 -26.6002 TIMING: 1834000 CPU: 5798.5, 0.00315182/step Wall: 5798.5, 0.00315182/step, 2.77185 hours remaining, 235.925781 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: 1834000 3966.1559 20640.3185 14575.1792 244.4103 -202987.7415 2382.4279 0.0000 0.0000 52165.1871 -109014.0627 299.7940 -161179.2497 -108634.5267 300.1953 74.0547 103.8522 761842.0697 -1.6283 -1.6554 PRESSURE: 1834200 -151.725 171.093 -17.2619 171.094 137.959 -238.665 -17.2622 -238.666 -31.0271 GPRESSURE: 1834200 -169.813 147.983 -47.6021 116.356 284.687 -226.604 -117.666 -143.013 -70.3304 PRESSAVG: 1834200 -81.155 -33.9378 9.63216 -33.9378 79.3862 29.9397 9.63211 29.9397 -16.2835 GPRESSAVG: 1834200 -83.3796 -33.2813 11.2747 -30.6098 80.7389 29.9092 9.95345 31.2349 -15.8664 TIMING: 1834200 CPU: 5799.13, 0.00314723/step Wall: 5799.13, 0.00314723/step, 2.76764 hours remaining, 235.925781 MB of memory in use. ENERGY: 1834200 3999.1660 20767.9112 14466.0673 245.1818 -203173.3050 2527.9975 0.0000 0.0000 52265.6477 -108901.3335 300.3714 -161166.9812 -108529.9823 300.4661 -14.9310 14.8481 763395.5905 -6.0174 -6.1690 PRESSURE: 1834400 109.467 87.0191 145.445 87.019 315.088 -72.2292 145.444 -72.228 54.3572 GPRESSURE: 1834400 195.45 19.1024 122.875 210.799 316.125 -30.9878 58.9674 -126.103 45.5427 PRESSAVG: 1834400 -75.5092 19.4481 13.6239 19.4482 86.6733 9.24208 13.6239 9.24215 16.0348 GPRESSAVG: 1834400 -74.2589 19.1812 14.1686 15.7987 85.4341 9.09358 13.3589 9.46371 16.7027 TIMING: 1834400 CPU: 5799.76, 0.00318291/step Wall: 5799.76, 0.00318291/step, 2.79884 hours remaining, 235.925781 MB of memory in use. ENERGY: 1834400 3993.8814 20684.3720 14508.6482 266.7743 -203156.4087 2638.6833 0.0000 0.0000 52279.6069 -108784.4427 300.4516 -161064.0496 -108419.1992 300.4704 159.6375 185.7060 763521.9903 9.0663 9.2927 PRESSURE: 1834600 -204.73 -10.8974 219.578 -10.8982 -77.7524 115.769 219.578 115.77 -637.422 GPRESSURE: 1834600 -102.594 12.7571 179.667 60.15 -96.2585 82.0268 147.933 61.0678 -638.838 PRESSAVG: 1834600 -67.4186 -28.3547 -37.2298 -28.3547 54.3568 20.6471 -37.2298 20.6471 -13.1155 GPRESSAVG: 1834600 -68.0357 -28.0176 -38.0019 -27.5506 55.8879 18.4128 -37.3159 21.1761 -14.0797 TIMING: 1834600 CPU: 5800.4, 0.0031654/step Wall: 5800.4, 0.0031654/step, 2.78327 hours remaining, 235.925781 MB of memory in use. ENERGY: 1834600 4065.3951 20659.1288 14553.7891 244.8372 -202923.4911 2482.5527 0.0000 0.0000 52214.3026 -108703.4856 300.0763 -160917.7882 -108336.3064 300.4061 -306.6346 -279.2302 763855.4975 -8.7257 -8.7425 PRESSURE: 1834800 188.375 83.7077 -101.46 83.7074 138.79 -4.4756 -101.46 -4.47529 443.19 GPRESSURE: 1834800 135.969 -12.7984 -189.934 169.193 265.161 -11.8119 -127.234 9.1648 451.223 PRESSAVG: 1834800 -59.8466 -49.3534 -43.9341 -49.3534 18.2604 41.1619 -43.9341 41.1619 9.42322 GPRESSAVG: 1834800 -61.6276 -51.0572 -45.334 -47.1734 18.923 42.1245 -42.1085 41.2818 10.2495 TIMING: 1834800 CPU: 5801.03, 0.00315105/step Wall: 5801.03, 0.00315105/step, 2.77048 hours remaining, 235.925781 MB of memory in use. ENERGY: 1834800 3997.8803 20462.2555 14507.1322 259.1119 -203306.4498 2913.7462 0.0000 0.0000 52185.5490 -108980.7747 299.9111 -161166.3238 -108611.7991 299.9693 256.7852 284.1176 762680.9459 -10.7210 -10.8184 PRESSURE: 1835000 -83.6451 9.1042 1.53406 9.10384 240.79 -74.5489 1.53511 -74.5493 418.465 GPRESSURE: 1835000 20.4823 -44.4582 15.4011 13.5762 295.497 -1.98291 67.4816 -218.015 363.32 PRESSAVG: 1835000 -23.3765 17.6529 -23.2437 17.6528 -0.848638 2.42856 -23.2436 2.42859 4.65351 GPRESSAVG: 1835000 -22.3157 19.0569 -21.8077 15.1749 -2.59238 3.30254 -22.648 2.16383 4.91116 TIMING: 1835000 CPU: 5801.66, 0.00315893/step Wall: 5801.66, 0.00315893/step, 2.77723 hours remaining, 235.925781 MB of memory in use. ENERGY: 1835000 4048.2663 20535.8515 14539.2742 252.7657 -203481.0049 2913.5889 0.0000 0.0000 52145.4212 -109045.8371 299.6805 -161191.2583 -108676.7891 299.9799 191.8698 226.4330 761716.5166 -6.5239 -6.6656 PRESSURE: 1835200 127.369 26.9626 103.112 26.9629 -333.408 -240.025 103.111 -240.025 24.7413 GPRESSURE: 1835200 49.9084 32.1574 -17.2027 -51.4271 -180.87 -171.965 134.197 -145.118 29.4771 PRESSAVG: 1835200 7.16361 16.2226 -45.4652 16.2227 18.5424 -12.5949 -45.4652 -12.5949 13.4979 GPRESSAVG: 1835200 6.84898 16.3845 -44.629 14.8792 19.2175 -11.1211 -47.4477 -13.7288 13.2478 TIMING: 1835200 CPU: 5802.29, 0.00315961/step Wall: 5802.29, 0.00315961/step, 2.77765 hours remaining, 235.925781 MB of memory in use. ENERGY: 1835200 4017.2001 20648.2362 14575.6760 248.9663 -203240.5077 2710.5368 0.0000 0.0000 52131.1647 -108908.7276 299.5985 -161039.8923 -108542.7165 300.2183 -60.4325 -33.8282 764455.0497 13.0680 13.1048 PRESSURE: 1835400 45.7989 86.2205 -91.9405 86.2201 130.854 -172.324 -91.94 -172.325 -173.338 GPRESSURE: 1835400 141.067 75.9223 -72.75 33.954 133.405 -185.202 -114.744 -217.991 -179.562 PRESSAVG: 1835400 7.18232 10.216 -64.1989 10.216 39.7651 12.6681 -64.199 12.668 -13.5666 GPRESSAVG: 1835400 7.52424 11.1554 -64.8512 11.4869 40.5028 12.4703 -64.5938 11.629 -14.481 TIMING: 1835400 CPU: 5802.92, 0.0031494/step Wall: 5802.92, 0.0031494/step, 2.76849 hours remaining, 235.925781 MB of memory in use. ENERGY: 1835400 3980.0401 20631.9892 14542.8151 262.9394 -202996.6423 2644.5812 0.0000 0.0000 52167.5626 -108766.7147 299.8077 -160934.2773 -108400.9307 299.9738 1.1050 31.6366 762633.7194 11.1270 11.1820 PRESSURE: 1835600 -321.32 -46.2947 -110.22 -46.2946 -95.8737 -79.0752 -110.22 -79.0762 76.171 GPRESSURE: 1835600 -268.229 -112.568 -110.633 -27.7257 -87.8238 14.7127 -24.6661 -55.3207 110.988 PRESSAVG: 1835600 -31.4197 11.8212 20.1703 11.8213 72.5592 9.21445 20.1702 9.21442 -23.8816 GPRESSAVG: 1835600 -32.0008 10.0317 18.4352 12.2995 72.8998 10.5072 22.2017 10.1395 -23.8532 TIMING: 1835600 CPU: 5803.55, 0.0031491/step Wall: 5803.55, 0.0031491/step, 2.76806 hours remaining, 235.925781 MB of memory in use. ENERGY: 1835600 3986.0038 20648.1778 14552.2764 251.4214 -203204.1918 2782.0314 0.0000 0.0000 52255.6450 -108728.6359 300.3139 -160984.2809 -108351.8556 300.2399 -113.6742 -81.6881 763688.6565 5.7526 5.6819 PRESSURE: 1835800 156.932 307.35 87.0347 307.35 107.152 249.355 87.0354 249.354 -130.781 GPRESSURE: 1835800 134.258 155.056 59.31 317.483 158.562 117.787 130.747 252.519 -79.9789 PRESSAVG: 1835800 -58.6339 29.4139 23.2796 29.414 44.3714 3.43587 23.2796 3.43594 -21.508 GPRESSAVG: 1835800 -58.5827 29.3827 23.8493 32.4309 42.2872 2.4746 21.9507 4.80608 -19.7466 TIMING: 1835800 CPU: 5804.18, 0.00315429/step Wall: 5804.18, 0.00315429/step, 2.77244 hours remaining, 235.925781 MB of memory in use. ENERGY: 1835800 4007.1373 20760.5848 14521.9660 265.2450 -202926.1279 2483.4409 0.0000 0.0000 52015.9739 -108871.7801 298.9365 -160887.7539 -108506.7924 300.2044 44.4344 70.9472 762613.4128 -11.9235 -12.0140 PRESSURE: 1836000 -536.787 -168.497 -68.7299 -168.499 -243.424 130.139 -68.7305 130.139 -63.7906 GPRESSURE: 1836000 -438.981 -182.582 -36.6783 -309.95 -228.514 145.663 -256.503 49.1278 -100.734 PRESSAVG: 1836000 -23.8748 -1.78458 18.7612 -1.78463 19.2866 -19.361 18.7612 -19.361 26.9808 GPRESSAVG: 1836000 -23.9651 -0.0524493 21.0276 -5.86636 20.5227 -19.2444 18.1155 -20.2685 26 TIMING: 1836000 CPU: 5804.81, 0.00315808/step Wall: 5804.81, 0.00315808/step, 2.7756 hours remaining, 235.925781 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: 1836000 3966.4277 20722.5617 14572.6497 253.3542 -202926.1951 2192.2168 0.0000 0.0000 52111.8626 -109107.1226 299.4876 -161218.9851 -108738.4002 299.8953 -281.3341 -256.0765 762653.5819 7.4642 7.5192 PRESSURE: 1836200 93.0784 192.367 56.8089 192.368 -11.3018 -28.0471 56.808 -28.0461 -14.8733 GPRESSURE: 1836200 136.563 96.7509 56.071 202.261 -30.2262 -26.2795 71.0765 -26.9977 47.5435 PRESSAVG: 1836200 -11.1768 48.456 -35.2931 48.456 17.1841 -32.0221 -35.293 -32.0221 7.60987 GPRESSAVG: 1836200 -11.0152 46.3232 -36.4261 49.9331 16.726 -32.41 -32.9359 -30.0521 7.54906 TIMING: 1836200 CPU: 5805.44, 0.0031369/step Wall: 5805.44, 0.0031369/step, 2.75681 hours remaining, 235.925781 MB of memory in use. ENERGY: 1836200 3984.3334 20453.7510 14467.6141 231.9572 -203326.8648 2802.4954 0.0000 0.0000 52339.0636 -109047.6502 300.7933 -161386.7137 -108673.8273 299.4001 22.3011 51.2936 762022.8076 4.5390 4.4199 LDB: ============= START OF LOAD BALANCING ============== 5817.97 LDB: ============== END OF LOAD BALANCING =============== 5817.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5817.97 LDB: ============= START OF LOAD BALANCING ============== 5818.29 LDB: Largest compute 7037 load 0.030379 is 15.5% of average load 0.195399 LDB: Average compute 0.004391 is 2.2% of average load 0.195399 LDB: TIME 5818.29 LOAD: AVG 0.195399 MAX 0.216627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.254 MB LDB: TIME 5818.29 LOAD: AVG 0.195399 MAX 0.216627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.254 MB LDB: TIME 5818.29 LOAD: AVG 0.195399 MAX 0.216627 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.254 MB LDB: ============== END OF LOAD BALANCING =============== 5818.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5818.3 PRESSURE: 1836400 -300.733 -126.076 17.5979 -126.075 -123.815 -82.7677 17.5978 -82.7672 -256.929 GPRESSURE: 1836400 -248.312 -33.0432 48.2227 -277.336 -113.421 -33.5193 -47.5536 -25.047 -240.736 PRESSAVG: 1836400 4.43483 -38.3733 30.3905 -38.3733 -0.133961 28.3808 30.3906 28.3808 -53.4859 GPRESSAVG: 1836400 4.92926 -36.8399 31.1866 -39.6157 -0.427911 27.0834 30.392 28.0683 -54.3619 TIMING: 1836400 CPU: 5806.08, 0.00319165/step Wall: 5806.08, 0.00319165/step, 2.80475 hours remaining, 234.882812 MB of memory in use. ENERGY: 1836400 3986.7943 20602.7720 14563.3207 233.0714 -203431.4733 2676.8102 0.0000 0.0000 52317.8097 -109050.8949 300.6712 -161368.7046 -108689.2646 300.3069 -227.1589 -200.8228 761782.4742 -16.3950 -16.6202 PRESSURE: 1836600 -161.463 129.293 -1.21167 129.292 -62.4561 -83.5362 -1.21162 -83.537 -112.84 GPRESSURE: 1836600 -69.5836 83.1955 -55.7781 119.994 -70.5288 -159.575 35.6683 -97.5031 -92.8735 PRESSAVG: 1836600 6.46055 -27.9488 22.7029 -27.9488 -36.6154 33.3549 22.7029 33.355 11.2789 GPRESSAVG: 1836600 6.8656 -28.8961 23.0099 -26.1386 -37.0064 35.0476 20.9061 31.7733 11.2245 TIMING: 1836600 CPU: 5806.71, 0.00315296/step Wall: 5806.71, 0.00315296/step, 2.77058 hours remaining, 234.882812 MB of memory in use. ENERGY: 1836600 3962.2439 20548.3533 14452.7007 279.4149 -203286.0418 2774.7583 0.0000 0.0000 51959.0941 -109309.4766 298.6096 -161268.5707 -108928.0094 299.7912 -112.2531 -77.6620 763381.4305 -6.2920 -6.3054 PRESSURE: 1836800 -295.897 -300.552 174.041 -300.552 -26.3422 -379.759 174.042 -379.759 184.924 GPRESSURE: 1836800 -264.409 -424.816 300.029 -319.903 17.4604 -307.483 32.5999 -420.869 171.073 PRESSAVG: 1836800 42.8875 3.75999 48.8553 3.75989 -21.9145 28.2291 48.8553 28.2292 -13.9942 GPRESSAVG: 1836800 43.2582 3.83285 49.0622 2.49997 -22.6879 28.2232 49.1074 29.1389 -14.0458 TIMING: 1836800 CPU: 5807.34, 0.00314363/step Wall: 5807.34, 0.00314363/step, 2.7622 hours remaining, 234.882812 MB of memory in use. ENERGY: 1836800 4006.0655 20395.5822 14511.6006 248.3957 -203429.6656 2733.8372 0.0000 0.0000 52157.2105 -109376.9737 299.7482 -161534.1842 -109011.3408 298.7967 -45.7718 -25.2917 762082.5879 2.3263 2.1748 PRESSURE: 1837000 -88.4628 32.3835 -235.07 32.3838 308.65 111.193 -235.069 111.192 318.258 GPRESSURE: 1837000 -37.0154 -7.03678 -226.695 6.10497 319.206 124.117 -195.515 5.17842 336.835 PRESSAVG: 1837000 -30.5942 -18.2045 -1.3147 -18.2046 39.2789 22.07 -1.31472 22.07 11.6353 GPRESSAVG: 1837000 -31.3401 -17.7023 -3.38201 -19.0879 40.3833 20.7683 -1.53228 21.7945 11.7098 TIMING: 1837000 CPU: 5807.97, 0.00314725/step Wall: 5807.97, 0.00314725/step, 2.76521 hours remaining, 234.882812 MB of memory in use. ENERGY: 1837000 3964.5200 20493.9482 14589.5033 223.7419 -202929.0672 2479.3984 0.0000 0.0000 52030.2621 -109147.6933 299.0186 -161177.9555 -108778.5242 299.1959 179.4818 206.3418 762648.1648 6.7733 6.9177 PRESSURE: 1837200 135.274 -96.9504 -120.339 -96.9511 33.8018 -54.3293 -120.339 -54.3304 20.9259 GPRESSURE: 1837200 151.886 -140.22 -137.604 -66.215 74.9839 -60.3214 -122.146 -83.7061 40.9513 PRESSAVG: 1837200 -3.23542 3.71775 -19.5195 3.71776 -3.79218 52.5481 -19.5194 52.5482 -1.48674 GPRESSAVG: 1837200 -2.7961 3.22073 -20.58 6.41934 -4.6621 53.1108 -18.817 50.671 -1.49706 TIMING: 1837200 CPU: 5808.6, 0.00313565/step Wall: 5808.6, 0.00313565/step, 2.75484 hours remaining, 234.882812 MB of memory in use. ENERGY: 1837200 3964.1695 20641.8593 14498.9709 255.6706 -203179.8620 2538.5667 0.0000 0.0000 52126.3964 -109154.2286 299.5711 -161280.6250 -108801.6018 299.3942 63.3338 89.2738 762458.8235 -2.8381 -2.9851 PRESSURE: 1837400 43.4814 -31.8125 43.2912 -31.8129 -102.891 20.7759 43.2917 20.7767 74.2806 GPRESSURE: 1837400 71.4878 -152.997 -15.1845 13.4998 -46.0475 -72.1359 47.2523 17.7047 75.2202 PRESSAVG: 1837400 -1.06425 -12.3974 -55.045 -12.3975 5.18856 -15.0863 -55.0449 -15.0862 -19.9636 GPRESSAVG: 1837400 -2.03164 -11.0516 -54.4457 -13.6462 6.29008 -16.2694 -54.6135 -12.5709 -20.2966 TIMING: 1837400 CPU: 5809.22, 0.00314554/step Wall: 5809.22, 0.00314554/step, 2.76335 hours remaining, 234.882812 MB of memory in use. ENERGY: 1837400 3967.9546 20491.5227 14552.1621 248.7587 -203415.7122 2758.0793 0.0000 0.0000 52281.8328 -109115.4020 300.4644 -161397.2348 -108748.2819 299.8058 4.9570 33.5535 761711.9532 -5.2798 -5.3461 PRESSURE: 1837600 49.6388 356.95 -169.044 356.949 155.58 159.844 -169.044 159.843 -149.199 GPRESSURE: 1837600 -65.732 250.268 -156.69 309.941 289.63 109.256 -295.402 12.9786 -74.0856 PRESSAVG: 1837600 0.833569 -27.6253 -7.10829 -27.6254 49.3372 -2.32247 -7.10836 -2.32245 18.513 GPRESSAVG: 1837600 1.22596 -30.9211 -4.81348 -25.1145 48.2596 -0.778595 -8.00586 -3.54251 18.5182 TIMING: 1837600 CPU: 5809.85, 0.00314043/step Wall: 5809.85, 0.00314042/step, 2.75869 hours remaining, 234.882812 MB of memory in use. ENERGY: 1837600 4016.6529 20668.3543 14472.6455 232.0820 -203567.4296 2804.3748 0.0000 0.0000 52208.8090 -109164.5112 300.0447 -161373.3202 -108803.6465 299.3540 18.6732 49.9376 761048.3349 22.8946 22.6679 PRESSURE: 1837800 -76.6434 -225.84 -161.746 -225.84 -34.2496 -107.939 -161.747 -107.941 -47.8351 GPRESSURE: 1837800 -24.2133 -110.963 -204.166 -198.922 -32.4774 -89.1614 -88.2414 -44.9431 -16.2781 PRESSAVG: 1837800 -19.8572 -32.4835 -60.2334 -32.4835 35.7634 -19.6062 -60.2334 -19.6063 -23.6903 GPRESSAVG: 1837800 -19.8391 -27.8556 -62.8501 -34.2945 35.7739 -19.606 -58.4469 -20.9267 -23.8754 TIMING: 1837800 CPU: 5810.48, 0.00313987/step Wall: 5810.48, 0.00313987/step, 2.75803 hours remaining, 234.882812 MB of memory in use. ENERGY: 1837800 4026.7056 20491.6809 14548.0153 225.7124 -203367.8168 2704.3018 0.0000 0.0000 52096.4253 -109274.9754 299.3989 -161371.4007 -108905.2557 299.5329 -52.9093 -24.3229 762374.6784 -2.5947 -2.6469 PRESSURE: 1838000 413.524 13.3296 -130.691 13.3295 -21.4797 -31.2631 -130.692 -31.2625 530.119 GPRESSURE: 1838000 347.241 136.962 -128.593 -56.1793 64.8707 -10.708 -173.618 9.31832 565.185 PRESSAVG: 1838000 26.4163 -10.0668 -42.6489 -10.0669 -37.5754 -54.1699 -42.6489 -54.1699 13.7281 GPRESSAVG: 1838000 24.7164 -12.5863 -41.9344 -10.0517 -36.2012 -53.8298 -44.0254 -53.8098 14.1829 TIMING: 1838000 CPU: 5811.11, 0.0031242/step Wall: 5811.11, 0.0031242/step, 2.74409 hours remaining, 234.882812 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: 1838000 3939.6796 20693.0129 14506.8680 242.7688 -203970.2476 3095.3181 0.0000 0.0000 52154.9406 -109337.6597 299.7352 -161492.6003 -108980.6691 299.0138 307.3877 325.7654 762935.1018 0.8563 0.8994 PRESSURE: 1838200 301.708 117.508 -239.673 117.508 338.047 266.226 -239.673 266.227 -46.1694 GPRESSURE: 1838200 263.574 142.972 -165.605 102.313 376.438 302.025 -35.9679 103.858 24.965 PRESSAVG: 1838200 -59.8602 38.0743 -32.3081 38.0742 68.2488 -23.2902 -32.3083 -23.2902 -7.83778 GPRESSAVG: 1838200 -58.8944 39.0194 -30.2421 39.337 67.103 -25.1575 -31.2661 -23.519 -7.60629 TIMING: 1838200 CPU: 5811.73, 0.00314535/step Wall: 5811.73, 0.00314535/step, 2.76249 hours remaining, 234.882812 MB of memory in use. ENERGY: 1838200 3984.6101 20579.1338 14398.2429 247.6311 -203667.5782 2965.2796 0.0000 0.0000 52069.8931 -109422.7876 299.2464 -161492.6807 -109058.4069 299.0552 197.8619 221.6590 763332.7853 0.1836 0.2008 PRESSURE: 1838400 -109.428 -148.942 -68.0478 -148.942 333.276 101.694 -68.048 101.693 -163.778 GPRESSURE: 1838400 -18.8791 -97.0068 -148.325 -130.993 275.48 129.455 -160.746 31.843 -111.281 PRESSAVG: 1838400 -37.8401 43.6146 -29.2384 43.6146 39.6561 -7.28846 -29.2384 -7.28838 16.7148 GPRESSAVG: 1838400 -38.7735 43.7333 -32.7556 43.3382 41.2926 -5.61025 -29.4663 -7.15915 15.6632 TIMING: 1838400 CPU: 5812.36, 0.00312373/step Wall: 5812.36, 0.00312373/step, 2.74333 hours remaining, 234.882812 MB of memory in use. ENERGY: 1838400 3943.8379 20618.3467 14459.9999 243.7818 -203185.0993 2823.2120 0.0000 0.0000 51729.2951 -109366.6257 297.2890 -161095.9208 -109005.7300 298.9634 20.0233 48.4399 763625.8967 6.1769 6.0608 PRESSURE: 1838600 571.567 -5.10558 41.3929 -5.10546 240.227 -5.67626 41.3922 -5.67747 210.398 GPRESSURE: 1838600 581.566 31.2575 86.3888 -34.3998 380.464 -89.7825 91.2151 -132.503 163.448 PRESSAVG: 1838600 -3.07951 40.625 -20.1945 40.6249 -0.180127 -6.92263 -20.1944 -6.92259 -8.68255 GPRESSAVG: 1838600 -1.67797 40.506 -17.9793 41.3423 -0.680533 -6.13769 -21.9094 -7.28076 -9.85589 TIMING: 1838600 CPU: 5812.99, 0.00313318/step Wall: 5812.99, 0.00313318/step, 2.75146 hours remaining, 234.882812 MB of memory in use. ENERGY: 1838600 3919.2262 20463.7363 14435.4765 257.0289 -203234.8806 2754.1881 0.0000 0.0000 51969.8588 -109435.3657 298.6715 -161405.2245 -109079.3321 298.7083 340.7306 375.1594 763080.8916 -3.9807 -4.0715 PRESSURE: 1838800 -155.89 49.0963 92.9765 49.097 54.2503 62.4373 92.9771 62.4384 0.847578 GPRESSURE: 1838800 -60.9224 121.602 67.7036 146.712 -15.6193 72.0421 -17.3215 11.1854 51.9082 PRESSAVG: 1838800 -7.65856 23.7875 37.0243 23.7876 16.7284 -0.167744 37.0243 -0.167803 15.4596 GPRESSAVG: 1838800 -7.48213 24.8394 38.4823 21.1353 15.7079 -1.1483 36.4191 1.43417 16.516 TIMING: 1838800 CPU: 5813.62, 0.00315749/step Wall: 5813.62, 0.00315748/step, 2.77262 hours remaining, 234.882812 MB of memory in use. ENERGY: 1838800 3934.3649 20345.5577 14560.2237 230.3077 -203317.1283 2805.5476 0.0000 0.0000 52149.4485 -109291.6782 299.7036 -161441.1267 -108926.8105 298.6409 -33.5972 -8.2112 763220.6052 8.1765 8.2473 PRESSURE: 1839000 152.036 14.5879 -283.932 14.5885 -235.429 -35.2602 -283.931 -35.261 -425.151 GPRESSURE: 1839000 128.919 -49.0021 -235.329 124.205 -180.388 124.68 -56.322 -62.8214 -384.547 PRESSAVG: 1839000 37.1911 -1.2044 -30.6252 -1.20436 -8.92936 8.52953 -30.6252 8.5295 -1.04589 GPRESSAVG: 1839000 35.9572 -1.90001 -33.1227 1.53652 -7.81423 8.88388 -28.6853 8.00815 -0.648861 TIMING: 1839000 CPU: 5814.25, 0.00315862/step Wall: 5814.25, 0.00315862/step, 2.77345 hours remaining, 234.882812 MB of memory in use. ENERGY: 1839000 3993.8556 20473.3595 14512.6750 234.8961 -202827.0750 2325.5070 0.0000 0.0000 51932.2205 -109354.5613 298.4552 -161286.7818 -108999.2965 298.6024 -169.5146 -145.3387 762852.9355 9.0720 9.1647 PRESSURE: 1839200 -182.836 164.72 -26.2891 164.719 -36.851 -130.701 -26.2896 -130.701 -399.528 GPRESSURE: 1839200 -153.337 128.039 -45.141 205.918 122.781 -229.634 -1.31423 -19.6105 -480.917 PRESSAVG: 1839200 42.0737 -41.5187 5.47887 -41.5188 -1.70741 -35.5257 5.47887 -35.5258 -7.95518 GPRESSAVG: 1839200 42.3092 -41.3923 7.90389 -42.1889 -1.16065 -36.6207 4.56423 -33.8683 -8.33588 TIMING: 1839200 CPU: 5814.88, 0.00314518/step Wall: 5814.88, 0.00314518/step, 2.76146 hours remaining, 234.882812 MB of memory in use. ENERGY: 1839200 4040.7017 20576.0653 14517.5060 253.3510 -203348.0890 2455.1511 0.0000 0.0000 51755.5943 -109749.7196 297.4401 -161505.3139 -109398.0717 298.3126 -206.4050 -170.4908 763272.7758 10.8037 10.9376 PRESSURE: 1839400 126.773 197.956 220.488 197.956 70.8497 -111.339 220.487 -111.34 435.576 GPRESSURE: 1839400 211.133 255.369 214.274 107.179 126.354 -169.07 115.005 -225.314 383.862 PRESSAVG: 1839400 -15.7305 -13.6317 28.5233 -13.6317 29.4151 40.8285 28.5233 40.8283 16.4424 GPRESSAVG: 1839400 -15.2254 -14.0654 26.7885 -14.5033 28.0787 41.381 27.3176 38.272 17.1577 TIMING: 1839400 CPU: 5815.5, 0.00312934/step Wall: 5815.5, 0.00312934/step, 2.74739 hours remaining, 234.882812 MB of memory in use. ENERGY: 1839400 3974.0263 20418.6064 14513.2072 252.5085 -203535.2399 3102.9976 0.0000 0.0000 51664.0844 -109609.8096 296.9142 -161273.8940 -109256.9186 297.9124 211.0662 240.4498 761942.3041 10.0423 10.0036 PRESSURE: 1839600 -44.3299 -82.6631 -30.1812 -82.6644 -90.0958 -142.472 -30.1813 -142.473 254.684 GPRESSURE: 1839600 -27.2552 -12.9407 9.32832 -104.122 -14.7622 -108.46 -12.8692 -114.384 254.186 PRESSAVG: 1839600 -40.5019 -26.6554 21.1495 -26.6554 114.904 -4.38829 21.1495 -4.3883 -13.6868 GPRESSAVG: 1839600 -41.6436 -24.72 22.0394 -28.0717 115.532 -3.08897 22.5384 -3.34136 -13.3263 TIMING: 1839600 CPU: 5816.13, 0.00314066/step Wall: 5816.13, 0.00314066/step, 2.75715 hours remaining, 234.882812 MB of memory in use. ENERGY: 1839600 4038.8020 20241.3275 14495.8292 249.1671 -203400.6659 2813.7231 0.0000 0.0000 52113.9516 -109447.8653 299.4996 -161561.8169 -109082.4700 298.5668 40.0862 70.7229 763039.9924 20.2384 20.1875 PRESSURE: 1839800 216.112 -261.437 88.6548 -261.437 -269.032 60.8239 88.6549 60.8241 143.343 GPRESSURE: 1839800 235.447 -229.274 58.5691 -326.21 -214.752 42.3162 -8.05298 48.0627 177.341 PRESSAVG: 1839800 9.74933 -38.2041 -13.8998 -38.2041 -36.5909 -16.917 -13.8998 -16.917 -15.4033 GPRESSAVG: 1839800 10.4643 -39.0193 -13.3801 -37.3978 -36.9686 -18.0254 -15.0078 -15.8262 -15.8725 TIMING: 1839800 CPU: 5816.76, 0.00314325/step Wall: 5816.76, 0.00314325/step, 2.75925 hours remaining, 234.882812 MB of memory in use. ENERGY: 1839800 3904.3358 20577.9368 14460.3216 231.8638 -202884.2335 2590.7950 0.0000 0.0000 51904.7939 -109214.1866 298.2976 -161118.9805 -108857.8691 298.6513 30.1408 66.0122 764264.3988 -14.0816 -14.1256 PRESSURE: 1840000 8.14297 -0.254581 -19.1676 -0.254129 51.9786 49.7568 -19.167 49.7584 -465.297 GPRESSURE: 1840000 60.7 71.8782 70.9583 45.3202 28.402 -3.20352 -53.9128 128.827 -412.367 PRESSAVG: 1840000 -10.7927 -9.40492 -30.0692 -9.40488 -45.1654 50.9901 -30.0693 50.9901 7.67537 GPRESSAVG: 1840000 -10.7407 -11.7393 -30.6043 -6.68413 -44.8932 50.9144 -28.0134 50.2622 7.45925 TIMING: 1840000 CPU: 5817.39, 0.00312991/step Wall: 5817.39, 0.00312991/step, 2.74737 hours remaining, 234.882812 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: 1840000 4016.6956 20453.2550 14526.9057 256.0657 -203398.1014 2799.6774 0.0000 0.0000 52385.2513 -108960.2506 301.0588 -161345.5019 -108596.4387 299.8228 -135.0584 -107.7551 764314.0429 -16.0943 -16.0582 PRESSURE: 1840200 -178.605 32.7366 132.486 32.7372 -243.73 78.9439 132.486 78.9441 -335.46 GPRESSURE: 1840200 -147.353 -78.1252 41.5395 -12.9582 -166.143 -16.3967 -1.37185 107.139 -357.461 PRESSAVG: 1840200 -63.5256 -41.357 -12.9597 -41.357 105.793 -6.27483 -12.9597 -6.27489 -17.37 GPRESSAVG: 1840200 -64.6784 -41.4816 -11.5113 -42.4222 106.877 -7.03246 -14.6476 -5.80584 -17.0595 TIMING: 1840200 CPU: 5818.02, 0.0031455/step Wall: 5818.02, 0.0031455/step, 2.76088 hours remaining, 234.882812 MB of memory in use. ENERGY: 1840200 3979.4612 20589.6849 14518.4362 237.0471 -203082.4595 2494.3668 0.0000 0.0000 52338.8998 -108924.5635 300.7924 -161263.4633 -108567.2603 300.0177 -252.5981 -223.6525 762675.0389 8.2993 8.3796 LDB: ============= START OF LOAD BALANCING ============== 5830.55 LDB: ============== END OF LOAD BALANCING =============== 5830.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5830.55 LDB: ============= START OF LOAD BALANCING ============== 5830.87 LDB: Largest compute 7042 load 0.028883 is 14.8% of average load 0.195431 LDB: Average compute 0.004374 is 2.2% of average load 0.195431 LDB: TIME 5830.87 LOAD: AVG 0.195431 MAX 0.216333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.289 MB LDB: TIME 5830.87 LOAD: AVG 0.195431 MAX 0.216333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: TIME 5830.87 LOAD: AVG 0.195431 MAX 0.216333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: ============== END OF LOAD BALANCING =============== 5830.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5830.88 PRESSURE: 1840400 37.8544 -50.5792 -217.978 -50.5791 118.351 146.997 -217.979 146.997 -397.557 GPRESSURE: 1840400 100.18 26.6301 -268.8 36.9265 137.57 233.429 -190.521 154.958 -359.415 PRESSAVG: 1840400 -24.9835 -90.0652 10.4862 -90.0652 3.88523 29.703 10.4862 29.703 -6.59324 GPRESSAVG: 1840400 -25.1044 -88.0186 8.95157 -91.1554 3.32739 30.5382 9.89125 29.3942 -6.30258 TIMING: 1840400 CPU: 5818.66, 0.00323953/step Wall: 5818.66, 0.00323953/step, 2.84323 hours remaining, 235.453125 MB of memory in use. ENERGY: 1840400 3933.2664 20502.7010 14503.9197 265.4764 -202757.8640 2414.3847 0.0000 0.0000 52165.2463 -108972.8694 299.7944 -161138.1157 -108611.2490 300.1112 -80.4505 -40.5550 763075.3342 -9.2305 -9.3599 PRESSURE: 1840600 -34.5871 -52.4509 -23.8344 -52.4503 98.7194 203.857 -23.8329 203.857 -56.8591 GPRESSURE: 1840600 7.56253 -77.707 127.264 50.7799 72.8611 202.658 -118.695 5.60978 12.9033 PRESSAVG: 1840600 -14.7626 -27.4427 47.7736 -27.4426 32.2422 12.0449 47.7736 12.0449 -14.5589 GPRESSAVG: 1840600 -13.949 -28.4242 49.3025 -28.3811 30.8886 10.6074 47.9909 11.468 -14.0571 TIMING: 1840600 CPU: 5819.29, 0.00314831/step Wall: 5819.29, 0.00314831/step, 2.76299 hours remaining, 235.453125 MB of memory in use. ENERGY: 1840600 4002.7356 20533.6606 14431.7914 243.9927 -203388.3048 2931.4278 0.0000 0.0000 52256.9782 -108987.7185 300.3216 -161244.6967 -108623.3129 299.6380 2.4244 31.1090 763877.1582 0.9736 0.9608 PRESSURE: 1840800 -113.39 -67.5174 -60.4849 -67.5172 30.5146 169.092 -60.4852 169.092 -389.28 GPRESSURE: 1840800 -110.734 3.62814 -56.9752 25.4532 40.902 222.051 -116.275 170.087 -329.209 PRESSAVG: 1840800 5.03086 -16.6066 29.9136 -16.6066 -30.1571 22.8322 29.9136 22.8323 5.02929 GPRESSAVG: 1840800 5.91854 -16.1238 28.0897 -16.2308 -30.2985 24.0598 30.2106 21.392 4.64352 TIMING: 1840800 CPU: 5819.92, 0.00314671/step Wall: 5819.92, 0.00314671/step, 2.76142 hours remaining, 235.453125 MB of memory in use. ENERGY: 1840800 4030.3534 20462.5283 14482.2783 260.5459 -203367.6079 2816.9327 0.0000 0.0000 51897.4360 -109417.5333 298.2553 -161314.9693 -109064.3347 298.9705 -157.3850 -133.0139 764189.7191 -6.6990 -6.5788 PRESSURE: 1841000 104.69 -46.7947 -44.2388 -46.795 -24.4448 -94.2544 -44.2387 -94.2548 -192.003 GPRESSURE: 1841000 62.7131 -145.686 -38.0002 -105.85 84.5815 -122.342 -82.0292 44.8367 -195.885 PRESSAVG: 1841000 -51.9891 -48.9966 5.06461 -48.9966 64.1601 22.1429 5.06461 22.1431 18.3888 GPRESSAVG: 1841000 -52.8769 -48.8268 6.50725 -49.3485 65.4205 21.1855 3.90075 22.4496 18.9171 TIMING: 1841000 CPU: 5820.55, 0.00313791/step Wall: 5820.55, 0.00313791/step, 2.75351 hours remaining, 235.453125 MB of memory in use. ENERGY: 1841000 3962.0529 20588.7660 14466.6722 244.2784 -203352.6616 2651.3978 0.0000 0.0000 51816.3318 -109623.1626 297.7892 -161439.4944 -109263.8492 298.3033 -37.2527 -16.1969 762320.7987 10.1866 10.4869 PRESSURE: 1841200 -470.809 144.007 -97.4861 144.007 -20.2025 65.463 -97.4872 65.4631 -32.3522 GPRESSURE: 1841200 -519.082 41.1212 -113.022 164.24 114.604 62.3004 -70.8253 141.925 -37.7874 PRESSAVG: 1841200 -56.5661 12.3291 6.89905 12.3291 43.7715 53.0114 6.89908 53.0114 5.47548 GPRESSAVG: 1841200 -56.9133 11.6068 6.90523 13.6742 45.0034 53.4165 8.2303 54.8093 4.94639 TIMING: 1841200 CPU: 5821.18, 0.00313254/step Wall: 5821.18, 0.00313254/step, 2.74863 hours remaining, 235.453125 MB of memory in use. ENERGY: 1841200 4002.9795 20284.9953 14463.1483 240.5878 -203160.9738 2765.5550 0.0000 0.0000 51916.3772 -109487.3307 298.3641 -161403.7079 -109124.1419 297.9265 -174.4544 -147.4218 761591.6228 -2.4397 -2.3212 PRESSURE: 1841400 -77.8205 70.5887 77.4783 70.589 63.305 184.586 77.4778 184.586 60.9133 GPRESSURE: 1841400 -3.04398 12.2041 40.1166 52.3841 119.749 189.636 1.78344 85.8962 18.9643 PRESSAVG: 1841400 -37.8577 7.18525 17.4366 7.18531 51.0211 -19.7128 17.4367 -19.7127 31.6181 GPRESSAVG: 1841400 -35.9936 7.90727 16.2697 7.39318 50.8031 -20.2685 15.759 -20.2095 30.5036 TIMING: 1841400 CPU: 5821.8, 0.00313489/step Wall: 5821.8, 0.00313489/step, 2.75052 hours remaining, 235.453125 MB of memory in use. ENERGY: 1841400 4018.7381 20481.5666 14413.1248 239.8181 -203173.4312 2533.5868 0.0000 0.0000 52027.7164 -109458.8805 299.0040 -161486.5969 -109095.9032 298.3838 15.4659 45.2231 760352.1463 14.9272 15.1043 PRESSURE: 1841600 -56.4407 45.3927 -393.193 45.3924 267.137 232.718 -393.192 232.718 -415.056 GPRESSURE: 1841600 -106.022 150.613 -312.46 57.5966 210.389 249.56 -385.17 21.4839 -251.592 PRESSAVG: 1841600 -37.8135 52.4365 14.8133 52.4364 16.5398 6.42733 14.8134 6.42734 9.63723 GPRESSAVG: 1841600 -40.014 51.3828 17.8656 51.9761 16.4523 6.02366 16.17 3.77892 10.9646 TIMING: 1841600 CPU: 5822.43, 0.00314676/step Wall: 5822.43, 0.00314676/step, 2.76076 hours remaining, 235.453125 MB of memory in use. ENERGY: 1841600 3950.9039 20526.1325 14400.8466 233.4744 -202998.3572 2659.7688 0.0000 0.0000 51812.2124 -109415.0186 297.7655 -161227.2310 -109057.6124 298.5433 -68.1198 -49.0751 762555.6480 -3.8788 -4.1990 PRESSURE: 1841800 27.385 25.344 -2.19533 25.3446 136.703 -127.89 -2.19422 -127.89 506.68 GPRESSURE: 1841800 105.95 85.3018 26.5778 47.4952 145.164 -173.347 -49.562 -120.683 501.278 PRESSAVG: 1841800 -38.7572 27.5031 -64.5083 27.5031 27.9973 10.3193 -64.5083 10.3193 10.0188 GPRESSAVG: 1841800 -36.292 27.936 -68.7285 28.0616 27.441 9.96139 -63.5496 14.6585 8.45602 TIMING: 1841800 CPU: 5823.06, 0.00314185/step Wall: 5823.06, 0.00314185/step, 2.75628 hours remaining, 235.453125 MB of memory in use. ENERGY: 1841800 4012.5255 20453.2158 14510.4287 267.9542 -203445.7461 2871.6270 0.0000 0.0000 51859.2235 -109470.7714 298.0357 -161329.9949 -109112.2312 298.7638 223.5895 250.7975 763015.8946 -0.2470 -0.1317 PRESSURE: 1842000 89.3278 -157.054 207.488 -157.054 -378.22 55.0993 207.488 55.0982 -44.9369 GPRESSURE: 1842000 45.3603 -175.825 93.8948 -133.921 -213.547 132.042 102.146 52.7045 -69.6436 PRESSAVG: 1842000 8.97493 -16.8199 3.85396 -16.8199 57.7534 -29.5941 3.85396 -29.5942 10.3612 GPRESSAVG: 1842000 8.50469 -16.9527 6.44164 -15.3235 58.129 -28.3485 -0.142014 -29.7265 11.2747 TIMING: 1842000 CPU: 5823.69, 0.00315722/step Wall: 5823.69, 0.00315722/step, 2.76958 hours remaining, 235.453125 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: 1842000 3957.5062 20429.2489 14435.8880 250.2152 -203289.5720 2712.3434 0.0000 0.0000 51921.2357 -109583.1345 298.3921 -161504.3702 -109213.4298 298.2585 -111.2763 -79.2766 762899.1592 25.6965 25.9695 PRESSURE: 1842200 -171.938 -112.972 49.7301 -112.973 -37.7119 -41.8311 49.7305 -41.8311 -308.643 GPRESSURE: 1842200 -253.227 -90.7197 4.98536 -129.061 124.461 -25.9944 186.134 91.3028 -307.215 PRESSAVG: 1842200 -0.510337 -36.8773 -3.41514 -36.8773 33.566 34.7285 -3.41508 34.7287 -3.58206 GPRESSAVG: 1842200 -1.41563 -36.0111 -6.48473 -38.6411 34.783 35.3052 0.658232 32.8225 -3.8592 TIMING: 1842200 CPU: 5824.33, 0.00317072/step Wall: 5824.33, 0.00317072/step, 2.78125 hours remaining, 235.453125 MB of memory in use. ENERGY: 1842200 4006.0617 20432.8228 14510.2652 229.6707 -203081.4670 2524.3831 0.0000 0.0000 51768.7526 -109609.5109 297.5157 -161378.2634 -109246.4482 298.6326 -172.7642 -145.3272 763056.1592 9.8245 9.8361 PRESSURE: 1842400 277.8 -108.571 94.9804 -108.571 51.3706 191.339 94.9803 191.339 -19.9339 GPRESSURE: 1842400 257.392 -30.5951 93.2286 -82.8877 160.744 216.698 52.1005 149.468 -25.4244 PRESSAVG: 1842400 2.37828 10.6596 31.9459 10.6596 -9.68048 45.1793 31.9459 45.1794 -8.83508 GPRESSAVG: 1842400 1.83163 10.8766 34.0661 9.41819 -9.32128 44.105 30.2487 45.5942 -8.82632 TIMING: 1842400 CPU: 5824.96, 0.00317613/step Wall: 5824.96, 0.00317613/step, 2.78582 hours remaining, 235.453125 MB of memory in use. ENERGY: 1842400 3923.7756 20391.7054 14522.2426 241.5591 -203623.3125 2965.6216 0.0000 0.0000 51883.5070 -109694.9011 298.1752 -161578.4081 -109335.5398 297.8301 103.0788 130.9040 761303.3124 -5.3791 -5.4387 PRESSURE: 1842600 0.674664 -58.8772 3.2306 -58.8776 32.856 8.58026 3.2309 8.57895 300.045 GPRESSURE: 1842600 138.037 -59.3689 63.025 -79.528 -57.5683 -85.8707 18.4047 8.92103 336.89 PRESSAVG: 1842600 -33.3467 -25.6246 -82.1035 -25.6246 -3.35451 8.79907 -82.1035 8.7991 -0.377537 GPRESSAVG: 1842600 -32.0782 -25.7482 -83.8339 -24.9856 -4.56637 10.0008 -80.5748 7.94388 -0.764182 TIMING: 1842600 CPU: 5825.59, 0.00315966/step Wall: 5825.59, 0.00315966/step, 2.7712 hours remaining, 235.453125 MB of memory in use. ENERGY: 1842600 3962.1391 20387.8995 14474.1644 247.8516 -202844.4525 2449.0698 0.0000 0.0000 51734.7954 -109588.5327 297.3206 -161323.3281 -109224.0810 298.4112 111.1918 139.1195 762070.8731 -12.3596 -12.4696 PRESSURE: 1842800 -40.9845 -190.804 -304.9 -190.804 278.451 75.0474 -304.901 75.0474 174.603 GPRESSURE: 1842800 79.6157 -311.933 -198.403 -172.249 263.671 -12.8328 -400.438 40.1876 143.637 PRESSAVG: 1842800 -39.5297 -38.7017 -18.7063 -38.7018 15.3044 35.6939 -18.7063 35.6939 22.4737 GPRESSAVG: 1842800 -39.3966 -40.5664 -15.6643 -38.5493 15.3821 33.276 -20.3972 37.2843 22.1514 TIMING: 1842800 CPU: 5826.22, 0.00313383/step Wall: 5826.22, 0.00313383/step, 2.74837 hours remaining, 235.453125 MB of memory in use. ENERGY: 1842800 3901.3278 20493.1801 14415.9464 244.6053 -203298.2449 2713.8315 0.0000 0.0000 51928.3699 -109600.9841 298.4331 -161529.3540 -109240.5804 298.6909 137.3564 162.3080 763339.4855 -0.5838 -0.6210 PRESSURE: 1843000 54.139 3.24431 -146.546 3.24438 88.7627 45.5424 -146.545 45.5423 -64.1183 GPRESSURE: 1843000 40.8195 -19.6307 -203.335 -9.2591 171.504 -10.55 -206.615 124.269 -55.7049 PRESSAVG: 1843000 38.3158 -10.8732 -54.9067 -10.8732 -55.8342 79.624 -54.9067 79.624 -7.39653 GPRESSAVG: 1843000 37.8981 -9.22608 -56.9607 -9.86594 -56.5042 82.8011 -54.3384 77.5899 -6.36043 TIMING: 1843000 CPU: 5826.85, 0.00316149/step Wall: 5826.85, 0.00316149/step, 2.77245 hours remaining, 235.453125 MB of memory in use. ENERGY: 1843000 3985.7725 20514.9816 14528.8126 233.9264 -203681.8330 2853.8410 0.0000 0.0000 51910.9433 -109653.5556 298.3329 -161564.4989 -109285.6503 298.7651 26.2612 52.2063 763851.4730 -8.3050 -8.3222 PRESSURE: 1843200 57.8583 -39.5808 -10.0065 -39.5798 -184.872 32.0468 -10.0071 32.0474 122.391 GPRESSURE: 1843200 -37.3342 -48.4873 47.5062 -97.4843 -66.2018 80.9048 57.2763 52.5047 181.195 PRESSAVG: 1843200 -5.7836 -18.1049 8.42338 -18.1049 55.5171 34.2433 8.42334 34.2433 -17.3092 GPRESSAVG: 1843200 -6.51025 -18.0012 8.75928 -20.4177 56.1162 34.0785 7.72563 39.9045 -17.1554 TIMING: 1843200 CPU: 5827.48, 0.00313505/step Wall: 5827.48, 0.00313505/step, 2.74909 hours remaining, 235.453125 MB of memory in use. ENERGY: 1843200 3987.7501 20550.0531 14491.9339 264.7924 -203788.7305 2753.2420 0.0000 0.0000 51962.4335 -109778.5256 298.6288 -161740.9591 -109420.8099 298.8511 -1.5407 25.8865 761647.0043 10.8081 10.8168 PRESSURE: 1843400 59.3961 21.0772 31.4013 21.077 -317.348 -5.23264 31.4013 -5.23198 -193.402 GPRESSURE: 1843400 38.4897 -24.1718 131.925 35.9463 -278.427 51.54 -16.0714 -96.2294 -122.003 PRESSAVG: 1843400 -17.0539 -72.5223 -9.03759 -72.5223 39.7674 1.46302 -9.03761 1.46307 1.45177 GPRESSAVG: 1843400 -16.4366 -72.838 -9.04447 -69.8204 39.3992 1.86337 -7.26643 -2.06458 1.31312 TIMING: 1843400 CPU: 5828.11, 0.0031467/step Wall: 5828.11, 0.0031467/step, 2.75913 hours remaining, 235.453125 MB of memory in use. ENERGY: 1843400 3964.8400 20555.6856 14426.7337 250.7754 -203393.5559 2549.4729 0.0000 0.0000 52015.1824 -109630.8659 298.9320 -161646.0483 -109258.7570 298.4082 -150.4512 -120.6469 762469.6732 8.0551 8.0919 PRESSURE: 1843600 -166.949 -267.369 42.1989 -267.368 -2.36584 -83.8396 42.1983 -83.8395 103.412 GPRESSURE: 1843600 -113.815 -260.721 36.359 -287.024 -29.8411 -140.356 32.4104 -47.0539 154.131 PRESSAVG: 1843600 29.8943 -20.3703 -16.184 -20.3703 17.089 64.5511 -16.184 64.5511 -3.57015 GPRESSAVG: 1843600 29.672 -22.0865 -16.1984 -20.126 17.8943 65.0519 -18.2929 61.8474 -4.14759 TIMING: 1843600 CPU: 5828.74, 0.00315595/step Wall: 5828.74, 0.00315595/step, 2.76707 hours remaining, 235.453125 MB of memory in use. ENERGY: 1843600 3908.8144 20619.2918 14494.1294 248.9067 -203500.4952 2649.6847 0.0000 0.0000 52026.7177 -109552.9505 298.9983 -161579.6682 -109182.3127 298.8052 -21.9674 3.4918 762209.6162 14.4711 14.4729 PRESSURE: 1843800 -345.264 -217.678 -19.1041 -217.679 -73.525 -108.455 -19.1048 -108.456 -128.366 GPRESSURE: 1843800 -232.418 -108.913 8.09948 -275.815 -76.8487 -158.375 -5.39314 37.1918 -149.832 PRESSAVG: 1843800 -47.6281 -31.0398 17.1645 -31.0398 24.2076 -27.6439 17.1645 -27.644 0.629487 GPRESSAVG: 1843800 -46.5761 -30.8984 17.3133 -31.4129 22.5728 -29.5625 18.1661 -26.1461 1.34193 TIMING: 1843800 CPU: 5829.37, 0.00315064/step Wall: 5829.37, 0.00315064/step, 2.76224 hours remaining, 235.453125 MB of memory in use. ENERGY: 1843800 4024.6901 20490.9163 14494.7156 242.5153 -203534.7458 2834.7792 0.0000 0.0000 52140.4612 -109306.6682 299.6519 -161447.1294 -108947.2508 299.1719 -182.3848 -153.0331 762982.3890 -7.5970 -7.5538 PRESSURE: 1844000 -31.028 167.61 83.3774 167.61 -36.7367 86.2472 83.3773 86.2473 407.388 GPRESSURE: 1844000 -3.16321 78.2192 85.4462 77.3301 46.3963 144.822 60.68 32.8873 370.92 PRESSAVG: 1844000 -80.1655 -83.9433 15.3157 -83.9433 74.6835 -45.2061 15.3158 -45.206 -28.9129 GPRESSAVG: 1844000 -80.851 -84.5142 14.1621 -83.4415 74.5833 -44.3026 15.6619 -44.4445 -28.4513 TIMING: 1844000 CPU: 5830, 0.00314619/step Wall: 5830, 0.00314619/step, 2.75816 hours remaining, 235.453125 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: 1844000 3988.6629 20528.8031 14494.2839 236.4736 -203180.4078 2601.8367 0.0000 0.0000 52015.4725 -109314.8751 298.9336 -161330.3476 -108950.1852 298.8256 113.2077 138.0511 761268.1986 -11.4650 -11.5730 PRESSURE: 1844200 -251.265 -21.831 99.9554 -21.8315 -82.5178 -20.6362 99.9554 -20.6352 -279.527 GPRESSURE: 1844200 -261.269 -106.091 154.707 -44.4548 17.5729 -37.5848 -40.4604 -34.1346 -288.051 PRESSAVG: 1844200 -7.07267 -32.2483 22.4522 -32.2483 -1.41583 25.4377 22.4522 25.4377 4.27755 GPRESSAVG: 1844200 -8.51725 -32.2937 23.6745 -31.8213 0.030513 26.0294 20.7588 25.5641 4.03972 TIMING: 1844200 CPU: 5830.63, 0.00316034/step Wall: 5830.63, 0.00316034/step, 2.77039 hours remaining, 235.453125 MB of memory in use. ENERGY: 1844200 4044.4161 20607.1321 14454.8926 247.5831 -203220.1704 2532.3621 0.0000 0.0000 52264.1514 -109069.6331 300.3628 -161333.7845 -108707.4960 299.2248 -204.4367 -177.2489 763595.3093 -1.4036 -1.4823 LDB: ============= START OF LOAD BALANCING ============== 5843.16 LDB: ============== END OF LOAD BALANCING =============== 5843.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5843.16 LDB: ============= START OF LOAD BALANCING ============== 5843.48 LDB: Largest compute 7049 load 0.030608 is 15.6% of average load 0.195587 LDB: Average compute 0.004367 is 2.2% of average load 0.195587 LDB: TIME 5843.48 LOAD: AVG 0.195587 MAX 0.216389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 5843.48 LOAD: AVG 0.195587 MAX 0.216389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 5843.48 LOAD: AVG 0.195587 MAX 0.216389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 5843.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5843.49 PRESSURE: 1844400 -20.3603 -160.25 -99.8127 -160.25 98.6861 223.598 -99.8112 223.598 -58.4148 GPRESSURE: 1844400 -23.4104 -144.345 -98.7936 -133.517 135.004 253.25 -83.019 202.877 7.40909 PRESSAVG: 1844400 3.9402 -63.2506 5.35683 -63.2506 7.17338 36.1275 5.3569 36.1275 14.3229 GPRESSAVG: 1844400 4.55952 -61.7323 4.21167 -63.3827 7.6949 35.7411 7.65091 35.4985 13.9372 TIMING: 1844400 CPU: 5831.27, 0.00320169/step Wall: 5831.27, 0.00320169/step, 2.80646 hours remaining, 235.140625 MB of memory in use. ENERGY: 1844400 3989.7241 20480.1180 14436.2798 232.2171 -203250.1374 2723.3080 0.0000 0.0000 52408.5748 -108979.9156 301.1928 -161388.4904 -108605.6639 299.6902 6.6370 39.6676 761403.3785 8.4788 8.7306 PRESSURE: 1844600 -27.2787 83.321 -54.8438 83.3209 56.537 -45.745 -54.844 -45.7445 93.1886 GPRESSURE: 1844600 -62.725 60.6251 -11.3857 197.084 136.5 -51.2595 -25.9456 -55.6992 132.514 PRESSAVG: 1844600 -28.0254 -40.7414 -30.6591 -40.7413 7.10957 -0.667147 -30.6591 -0.667215 -19.5091 GPRESSAVG: 1844600 -27.195 -38.2807 -29.3661 -43.8692 5.71624 -0.723583 -32.2503 1.49417 -19.598 TIMING: 1844600 CPU: 5831.9, 0.00315482/step Wall: 5831.9, 0.00315482/step, 2.7652 hours remaining, 235.140625 MB of memory in use. ENERGY: 1844600 4060.7620 20397.4103 14436.3733 263.6799 -203474.9461 2977.7446 0.0000 0.0000 52070.1774 -109268.7986 299.2480 -161338.9760 -108911.9634 299.2281 40.8157 68.7632 762887.4488 -13.4750 -13.6922 PRESSURE: 1844800 64.6303 319.928 185.073 319.929 -100.594 -184.124 185.073 -184.123 -532.176 GPRESSURE: 1844800 141.331 296.057 211.094 118.43 -88.252 -159.565 240.585 -128.197 -536.223 PRESSAVG: 1844800 0.114575 -47.0014 11.7177 -47.0013 23.6264 -33.5803 11.7178 -33.5805 8.90018 GPRESSAVG: 1844800 -1.03871 -48.6165 11.0651 -45.6646 24.2764 -31.7915 13.5953 -34.7502 9.14502 TIMING: 1844800 CPU: 5832.53, 0.0031345/step Wall: 5832.53, 0.0031345/step, 2.74722 hours remaining, 235.140625 MB of memory in use. ENERGY: 1844800 3964.1276 20467.8226 14564.6310 258.0374 -203348.0111 2616.8547 0.0000 0.0000 52070.5803 -109405.9574 299.2503 -161476.5378 -109041.0620 298.9703 -189.3798 -161.0478 762711.7383 10.8804 10.7942 PRESSURE: 1845000 -147.24 -159.733 10.6516 -159.732 -218.22 73.9315 10.6517 73.9314 -171.685 GPRESSURE: 1845000 -170.204 -209.632 -35.2554 -163.121 -111.168 72.6573 0.706957 -13.439 -150.361 PRESSAVG: 1845000 -0.018143 -43.0481 -4.71074 -43.0481 -11.4253 16.7138 -4.7108 16.7138 -9.23511 GPRESSAVG: 1845000 -1.70702 -43.937 -5.18667 -42.0108 -9.97844 15.1823 -5.1921 15.9526 -8.89175 TIMING: 1845000 CPU: 5833.16, 0.00315625/step Wall: 5833.16, 0.00315625/step, 2.7661 hours remaining, 235.140625 MB of memory in use. ENERGY: 1845000 3935.7313 20501.9933 14507.3398 269.5952 -202785.8972 2288.4984 0.0000 0.0000 51863.3936 -109419.3456 298.0596 -161282.7392 -109064.5069 298.9780 -179.0481 -143.9109 764268.1292 -6.8929 -6.8591 PRESSURE: 1845200 159.497 -145.389 -177.052 -145.387 371.689 -246.667 -177.052 -246.667 -201.234 GPRESSURE: 1845200 234.626 -70.5092 -202.182 -32.4866 303.889 -187.913 -184.302 -150.579 -114.491 PRESSAVG: 1845200 -26.5765 -16.3135 4.73036 -16.3134 22.0488 11.4613 4.73033 11.4613 4.76753 GPRESSAVG: 1845200 -24.425 -15.0323 5.81262 -16.0226 20.5548 10.3216 3.40083 12.9383 4.18902 TIMING: 1845200 CPU: 5833.79, 0.00316502/step Wall: 5833.79, 0.00316502/step, 2.77361 hours remaining, 235.140625 MB of memory in use. ENERGY: 1845200 3966.1265 20515.2683 14448.5624 236.3935 -203546.2021 2955.5024 0.0000 0.0000 52155.5776 -109268.7715 299.7388 -161424.3491 -108897.6825 299.1224 109.9841 141.3413 763013.3698 0.0799 0.1063 PRESSURE: 1845400 422.937 -359.634 70.5529 -359.634 556.234 -9.94971 70.552 -9.94995 186.542 GPRESSURE: 1845400 511.006 -367.578 59.0405 -187.132 471.035 52.0731 41.293 18.3252 275.152 PRESSAVG: 1845400 -30.3911 11.4472 -29.2102 11.4473 30.118 -8.89637 -29.2102 -8.89644 15.4821 GPRESSAVG: 1845400 -31.3106 10.1952 -28.3953 11.8569 28.7921 -7.66069 -29.9286 -9.02896 17.4887 TIMING: 1845400 CPU: 5834.43, 0.00315247/step Wall: 5834.43, 0.00315247/step, 2.76244 hours remaining, 235.140625 MB of memory in use. ENERGY: 1845400 3908.0198 20642.7851 14444.3375 248.2925 -203596.1575 2976.4005 0.0000 0.0000 52051.8937 -109324.4284 299.1429 -161376.3221 -108963.4664 299.0993 388.5712 419.0643 761706.9492 5.0696 4.9901 PRESSURE: 1845600 -346.699 -14.3125 104.793 -14.3121 -173.88 -44.8186 104.793 -44.8168 116.953 GPRESSURE: 1845600 -312.695 -36.9431 59.046 100.46 -91.8985 -42.0728 70.7191 -25.9698 67.8086 PRESSAVG: 1845600 -66.1941 -15.1633 36.8077 -15.1633 41.7809 -4.20452 36.8077 -4.20456 5.27927 GPRESSAVG: 1845600 -64.9053 -14.8404 34.3725 -14.9846 42.9093 -3.48706 36.6608 -5.88195 3.11601 TIMING: 1845600 CPU: 5835.05, 0.00314934/step Wall: 5835.05, 0.00314934/step, 2.75952 hours remaining, 235.140625 MB of memory in use. ENERGY: 1845600 3982.1418 20582.0423 14495.2497 252.5798 -203351.7644 2547.3531 0.0000 0.0000 52156.4512 -109335.9465 299.7438 -161492.3976 -108967.1529 299.2964 -134.5422 -112.2617 761557.3035 -6.3780 -6.2933 PRESSURE: 1845800 -151.375 -153.606 -102.795 -153.605 -329.757 111.199 -102.795 111.199 -430.887 GPRESSURE: 1845800 -177.326 -180.114 -192.378 -127.808 -183.373 75.2576 3.38324 102.669 -472.922 PRESSAVG: 1845800 -23.0985 -20.7107 15.1364 -20.7107 72.318 14.227 15.1364 14.227 0.582559 GPRESSAVG: 1845800 -23.3328 -20.3506 15.7457 -21.2387 72.3857 12.9462 18.2816 15.962 0.497961 TIMING: 1845800 CPU: 5835.68, 0.00312731/step Wall: 5835.68, 0.00312731/step, 2.74004 hours remaining, 235.140625 MB of memory in use. ENERGY: 1845800 3995.3213 20475.4234 14477.4720 258.7188 -203263.2330 2388.7046 0.0000 0.0000 52027.9216 -109639.6713 299.0052 -161667.5929 -109270.5012 299.2939 -304.0065 -277.8735 761322.1878 16.6007 16.5170 PRESSURE: 1846000 -242.728 42.6629 -197.904 42.6628 226.323 -175.274 -197.903 -175.274 96.6826 GPRESSURE: 1846000 -149.806 188.868 -201.626 -145.207 213.685 -234.001 -109.888 -193.647 88.9768 PRESSAVG: 1846000 6.1877 -9.33383 -39.4016 -9.33387 7.08337 -36.9343 -39.4016 -36.9343 -20.6025 GPRESSAVG: 1846000 5.5718 -9.71648 -38.8509 -8.18777 7.2057 -35.8611 -43.0812 -37.6602 -20.175 TIMING: 1846000 CPU: 5836.31, 0.00315535/step Wall: 5836.31, 0.00315535/step, 2.76444 hours remaining, 235.140625 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: 1846000 4004.3572 20587.3882 14515.7379 250.2252 -203575.5578 2664.0891 0.0000 0.0000 51982.8020 -109570.9582 298.7459 -161553.7601 -109223.6809 298.9510 26.7594 50.9518 759136.8824 -2.4438 -2.4658 PRESSURE: 1846200 -218.131 -78.4269 13.1263 -78.427 -271.808 54.2418 13.1264 54.2411 260.535 GPRESSURE: 1846200 -230.743 -58.0095 -41.8792 33.0131 -123.207 119.452 -23.9255 -40.0241 207.588 PRESSAVG: 1846200 -28.5961 29.1418 -7.14678 29.1418 13.5617 -62.2202 -7.14675 -62.2201 -27.7253 GPRESSAVG: 1846200 -29.2074 29.3656 -8.20377 28.0462 14.2746 -60.6747 -4.15984 -64.0513 -27.7899 TIMING: 1846200 CPU: 5836.94, 0.00316501/step Wall: 5836.94, 0.00316501/step, 2.77273 hours remaining, 235.140625 MB of memory in use. ENERGY: 1846200 3898.3243 20440.3278 14486.4602 238.2611 -203425.6458 2599.6794 0.0000 0.0000 52126.7743 -109635.8186 299.5733 -161762.5929 -109262.9962 298.6027 -76.4679 -48.7874 762622.2405 -14.2532 -14.2409 PRESSURE: 1846400 537.244 42.808 -117.702 42.8082 108.766 -142.091 -117.703 -142.091 142.055 GPRESSURE: 1846400 534.817 92.2045 -151.968 -25.1946 164.509 -181.682 -204.127 -72.8396 171.977 PRESSAVG: 1846400 8.77857 -12.2782 -61.3821 -12.2781 -15.4781 -20.8843 -61.3821 -20.8842 23.4632 GPRESSAVG: 1846400 10.7567 -9.7994 -60.7824 -13.3795 -16.6413 -20.8013 -63.6026 -20.2872 22.866 TIMING: 1846400 CPU: 5837.58, 0.00317871/step Wall: 5837.58, 0.00317871/step, 2.78455 hours remaining, 235.343750 MB of memory in use. ENERGY: 1846400 3959.5396 20488.8790 14444.9015 221.7323 -203615.7752 2895.2279 0.0000 0.0000 52240.6329 -109364.8620 300.2276 -161605.4949 -108997.7958 298.8445 262.6884 290.4346 760836.3478 5.5879 5.6605 PRESSURE: 1846600 111.71 115.469 121.508 115.468 84.8417 -296.379 121.508 -296.379 -44.8636 GPRESSURE: 1846600 134.447 26.6735 142.733 173.759 118.572 -253.827 196.126 -234.911 -30.0013 PRESSAVG: 1846600 31.9908 0.41848 24.2123 0.418518 -33.5347 -16.9158 24.2123 -16.9158 5.75507 GPRESSAVG: 1846600 30.7982 -2.41234 24.0039 1.06571 -33.4214 -16.6978 25.7231 -14.867 6.34798 TIMING: 1846600 CPU: 5838.21, 0.00315402/step Wall: 5838.21, 0.00315402/step, 2.76274 hours remaining, 235.343750 MB of memory in use. ENERGY: 1846600 3965.0500 20739.8264 14404.3672 244.5622 -203536.4395 2757.9019 0.0000 0.0000 52006.6732 -109418.0585 298.8831 -161424.7317 -109052.2659 299.2927 50.5628 74.3393 762155.1554 1.4037 1.2416 PRESSURE: 1846800 6.42294 107.122 -87.0639 107.121 -463.532 210.087 -87.0646 210.086 -83.0962 GPRESSURE: 1846800 34.9925 210.035 -143.761 -4.64414 -422.407 248.454 -144.808 139.531 -32.791 PRESSAVG: 1846800 20.0436 13.2415 65.3125 13.2416 -53.5788 -1.77339 65.3126 -1.77335 -3.5175 GPRESSAVG: 1846800 20.5898 13.7901 66.6264 12.6387 -54.4371 -3.50926 63.1084 -2.46827 -3.26321 TIMING: 1846800 CPU: 5838.84, 0.00315974/step Wall: 5838.84, 0.00315974/step, 2.76758 hours remaining, 235.343750 MB of memory in use. ENERGY: 1846800 3972.9521 20313.9772 14435.2428 256.5073 -203564.1547 2667.5964 0.0000 0.0000 52078.1191 -109839.7598 299.2937 -161917.8788 -109472.0583 298.4895 -180.0684 -140.0686 762813.7354 -12.3509 -12.3702 PRESSURE: 1847000 124.377 67.8713 -53.3053 67.872 -355.379 41.6413 -53.3054 41.6414 -149.114 GPRESSURE: 1847000 66.126 110.714 4.97122 276.568 -252.099 37.0323 -68.5382 113.531 -96.5772 PRESSAVG: 1847000 -4.69803 7.79886 -2.04064 7.79884 -24.4794 33.8333 -2.04064 33.8332 1.65107 GPRESSAVG: 1847000 -5.92961 8.24888 -3.5395 9.65034 -23.091 33.9175 -1.0715 34.7733 1.08926 TIMING: 1847000 CPU: 5839.47, 0.00314165/step Wall: 5839.47, 0.00314165/step, 2.75156 hours remaining, 235.343750 MB of memory in use. ENERGY: 1847000 3950.4880 20243.6967 14467.0218 237.9782 -202921.0813 2369.9207 0.0000 0.0000 52000.0069 -109651.9691 298.8448 -161651.9760 -109271.9619 298.5715 -126.7054 -94.1834 761984.8916 -9.1754 -9.3104 PRESSURE: 1847200 250.708 19.5213 -89.1653 19.5221 78.009 27.8751 -89.1655 27.876 -124.628 GPRESSURE: 1847200 259.974 33.0743 -86.8888 -63.2235 165.175 72.8507 24.594 -24.6545 -144.446 PRESSAVG: 1847200 25.7452 20.3457 -15.742 20.3457 -15.0798 -1.54263 -15.742 -1.5426 -13.9228 GPRESSAVG: 1847200 26.8372 19.0516 -15.6942 22.2496 -15.1018 -2.121 -14.315 -2.52304 -14.778 TIMING: 1847200 CPU: 5840.1, 0.0031435/step Wall: 5840.1, 0.0031435/step, 2.753 hours remaining, 235.343750 MB of memory in use. ENERGY: 1847200 4004.9735 20461.1561 14514.1491 249.6394 -203194.4140 2787.3683 0.0000 0.0000 51557.6794 -109619.4482 296.3027 -161177.1276 -109250.1836 298.8179 68.0296 93.5675 762730.3812 -1.0858 -1.0142 PRESSURE: 1847400 -39.8376 -70.0844 77.2788 -70.0844 142.29 -145.818 77.2788 -145.816 35.3597 GPRESSURE: 1847400 -55.0919 -99.1251 51.8195 -29.4851 185.749 -66.6919 -4.79271 -244.679 87.9004 PRESSAVG: 1847400 1.22209 5.79023 -52.5254 5.79022 24.5111 -30.7551 -52.5254 -30.7552 1.60734 GPRESSAVG: 1847400 1.50776 7.44796 -53.8364 3.59964 23.5008 -30.9086 -52.751 -30.9074 2.47884 TIMING: 1847400 CPU: 5840.73, 0.00314619/step Wall: 5840.73, 0.00314619/step, 2.75519 hours remaining, 235.343750 MB of memory in use. ENERGY: 1847400 3971.7308 20530.5796 14437.7305 251.7481 -203475.1691 2530.0213 0.0000 0.0000 52211.2825 -109542.0764 300.0590 -161753.3589 -109183.9347 298.6112 45.9375 72.8524 760841.5579 9.1135 9.1625 PRESSURE: 1847600 -370.978 88.3654 2.74905 88.3663 131.7 -174.161 2.74905 -174.161 200.44 GPRESSURE: 1847600 -332.401 243.571 -77.3173 30.3422 187.171 -210.705 -17.4588 -293.973 194.835 PRESSAVG: 1847600 -22.0908 38.732 5.44199 38.732 65.6582 -26.8422 5.44195 -26.8422 -12.3939 GPRESSAVG: 1847600 -22.5788 38.9283 7.14192 37.2016 66.805 -27.406 6.48123 -27.5154 -13.1142 TIMING: 1847600 CPU: 5841.36, 0.00314831/step Wall: 5841.36, 0.00314831/step, 2.75687 hours remaining, 235.343750 MB of memory in use. ENERGY: 1847600 3909.9962 20534.5586 14449.7377 228.4236 -203060.6241 2390.9893 0.0000 0.0000 52024.7624 -109522.1563 298.9870 -161546.9186 -109152.7511 299.0096 -12.9460 16.5350 762501.6865 10.3912 10.3706 PRESSURE: 1847800 -69.9772 47.0205 -129.727 47.0203 -38.3343 -128.207 -129.726 -128.208 -7.90302 GPRESSURE: 1847800 -5.87007 63.6379 -157.369 77.1221 -57.2188 -111.245 -167.61 -202.483 36.502 PRESSAVG: 1847800 26.4715 -15.057 -4.22353 -15.057 -36.0404 32.1382 -4.2235 32.1381 -3.93624 GPRESSAVG: 1847800 27.6332 -16.9162 -3.68937 -11.909 -37.456 31.7839 -4.66766 31.2325 -3.5578 TIMING: 1847800 CPU: 5841.99, 0.00317703/step Wall: 5841.99, 0.00317703/step, 2.78184 hours remaining, 235.343750 MB of memory in use. ENERGY: 1847800 3993.1706 20422.3894 14350.5308 246.0336 -203205.9913 2653.3793 0.0000 0.0000 51766.2879 -109774.1998 297.5016 -161540.4877 -109415.0862 298.6367 -38.7382 -8.8623 760898.4860 -4.5017 -4.4602 PRESSURE: 1848000 -26.023 -228.105 -103.565 -228.105 -240.646 84.7624 -103.565 84.7631 77.4359 GPRESSURE: 1848000 -16.1034 -80.3532 50.2417 -213.684 -156.025 7.9231 -153.785 12.7188 55.8504 PRESSAVG: 1848000 26.9461 -7.7607 -26.8819 -7.76075 -27.381 -8.60134 -26.8819 -8.60129 -1.05698 GPRESSAVG: 1848000 25.6756 -6.44943 -25.513 -9.32157 -27.2542 -6.30964 -27.1144 -7.34674 -0.556388 TIMING: 1848000 CPU: 5842.63, 0.00319135/step Wall: 5842.63, 0.00319135/step, 2.79421 hours remaining, 235.343750 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: 1848000 4006.9098 20363.4683 14446.6207 254.8379 -203415.1352 2729.3122 0.0000 0.0000 51679.3018 -109934.6845 297.0017 -161613.9863 -109572.5463 297.9973 -63.0777 -38.7593 762540.4421 -0.4973 -0.7117 PRESSURE: 1848200 -310.612 -132.615 -270.814 -132.614 -11.5225 -163.215 -270.814 -163.215 -119.042 GPRESSURE: 1848200 -237.248 -110.952 -268.836 -40.6906 30.7704 -219.611 -163.221 -144.694 -167.632 PRESSAVG: 1848200 -9.87334 -7.06461 -42.5769 -7.06461 56.8003 -35.7721 -42.5768 -35.7721 -0.971952 GPRESSAVG: 1848200 -9.64449 -7.7658 -44.2581 -7.52331 56.5138 -38.0096 -41.606 -36.1123 -1.193 TIMING: 1848200 CPU: 5843.27, 0.00319046/step Wall: 5843.27, 0.00319046/step, 2.79325 hours remaining, 235.343750 MB of memory in use. ENERGY: 1848200 4063.5528 20343.4925 14400.3930 270.4970 -203600.9166 2758.7580 0.0000 0.0000 51964.3158 -109799.9075 298.6396 -161764.2233 -109445.1151 298.1616 -147.0590 -124.7032 760995.1504 15.3183 15.2254 LDB: ============= START OF LOAD BALANCING ============== 5855.8 LDB: ============== END OF LOAD BALANCING =============== 5855.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5855.8 LDB: ============= START OF LOAD BALANCING ============== 5856.12 LDB: Largest compute 7057 load 0.031306 is 16.0% of average load 0.195471 LDB: Average compute 0.004365 is 2.2% of average load 0.195471 LDB: TIME 5856.13 LOAD: AVG 0.195471 MAX 0.215335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 5856.13 LOAD: AVG 0.195471 MAX 0.215335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: TIME 5856.13 LOAD: AVG 0.195471 MAX 0.215335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: ============== END OF LOAD BALANCING =============== 5856.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5856.14 PRESSURE: 1848400 -303.251 -55.1796 64.7497 -55.1788 -198.521 -4.94438 64.7495 -4.94451 -38.9832 GPRESSURE: 1848400 -346.423 50.2513 88.7625 -159.657 -79.1754 7.67036 76.3906 155.271 -23.5698 PRESSAVG: 1848400 3.97379 -7.8324 -22.5039 -7.83235 40.0768 -42.4847 -22.5039 -42.4848 17.3233 GPRESSAVG: 1848400 4.07739 -8.58859 -22.1754 -7.79243 40.0049 -42.2117 -23.5933 -41.0359 17.454 TIMING: 1848400 CPU: 5843.92, 0.00324243/step Wall: 5843.92, 0.00324243/step, 2.83857 hours remaining, 236.222656 MB of memory in use. ENERGY: 1848400 3972.8476 20447.1850 14406.7234 246.0908 -203265.5198 2449.8162 0.0000 0.0000 51885.1393 -109857.7173 298.1846 -161742.8567 -109495.3781 298.1361 -180.2517 -149.7226 762143.0870 20.4580 20.5121 PRESSURE: 1848600 -204.048 -139.787 97.5699 -139.786 -7.12085 54.6798 97.5704 54.6784 9.40434 GPRESSURE: 1848600 -134.064 -99.3243 154.575 -136.7 59.8404 88.9121 65.7211 64.4339 -58.2269 PRESSAVG: 1848600 26.9728 9.70802 -48.6084 9.70803 11.7878 -17.0998 -48.6085 -17.0998 8.72562 GPRESSAVG: 1848600 27.3184 11.2731 -48.1347 9.10358 12.129 -16.7415 -48.3703 -16.9139 8.00102 TIMING: 1848600 CPU: 5844.56, 0.00319227/step Wall: 5844.56, 0.00319227/step, 2.79448 hours remaining, 236.222656 MB of memory in use. ENERGY: 1848600 4004.3297 20501.5499 14475.2253 237.9815 -203963.7989 2970.4603 0.0000 0.0000 51936.0036 -109838.2485 298.4769 -161774.2521 -109487.5715 298.0267 -67.2548 -44.1503 762693.3663 15.8288 15.8161 PRESSURE: 1848800 15.5184 -3.90498 248.47 -3.90573 -38.309 -113.931 248.47 -113.931 -387.128 GPRESSURE: 1848800 1.95152 141.98 319.845 -1.96812 -11.656 -211.317 129.853 -102.529 -322.141 PRESSAVG: 1848800 -5.40327 2.90273 -48.8879 2.90273 -0.782645 8.42118 -48.888 8.42127 -17.6303 GPRESSAVG: 1848800 -5.68102 2.74773 -49.3028 4.76491 -2.692 8.67061 -47.5735 7.431 -16.0971 TIMING: 1848800 CPU: 5845.2, 0.00318906/step Wall: 5845.2, 0.00318906/step, 2.79149 hours remaining, 236.222656 MB of memory in use. ENERGY: 1848800 3976.6876 20574.8586 14481.0957 250.0093 -203263.6992 2544.4050 0.0000 0.0000 51855.7124 -109580.9306 298.0155 -161436.6431 -109230.2810 298.2755 -136.6397 -110.6153 762194.9782 -7.9387 -8.1567 PRESSURE: 1849000 -1.78508 -192.08 85.6002 -192.081 158.598 11.1837 85.6 11.1829 -171.56 GPRESSURE: 1849000 112.597 -198.98 209.451 -201.784 243.401 -50.3235 48.9128 -22.4472 -287.921 PRESSAVG: 1849000 -7.83471 24.9745 -44.4018 24.9744 -3.62963 39.1086 -44.4017 39.1086 -3.00911 GPRESSAVG: 1849000 -7.43662 23.0519 -44.498 23.0697 -2.51935 38.4554 -48.1763 39.7542 -4.93461 TIMING: 1849000 CPU: 5845.83, 0.00315227/step Wall: 5845.83, 0.00315227/step, 2.75911 hours remaining, 236.222656 MB of memory in use. ENERGY: 1849000 4049.5630 20395.1930 14441.5431 257.8263 -203351.2958 2742.8783 0.0000 0.0000 51885.8433 -109578.4489 298.1887 -161464.2922 -109223.2999 298.5130 -4.9157 22.6924 763538.7909 -4.8245 -4.9635 PRESSURE: 1849200 -385.676 -49.7746 -115.05 -49.7743 -362.773 60.2581 -115.049 60.2587 -338.607 GPRESSURE: 1849200 -402.269 -187.086 21.4281 -26.3813 -298.482 66.1981 -119.378 122.531 -292.836 PRESSAVG: 1849200 -10.3424 -0.294651 -2.09675 -0.294657 48.5023 29.5336 -2.09672 29.5336 -13.6469 GPRESSAVG: 1849200 -11.984 -0.913236 -1.96388 2.18593 49.5132 31.5672 -0.0474328 29.9165 -12.8047 TIMING: 1849200 CPU: 5846.46, 0.00316253/step Wall: 5846.46, 0.00316253/step, 2.76792 hours remaining, 236.222656 MB of memory in use. ENERGY: 1849200 4032.5651 20484.4817 14457.0643 248.5500 -203298.3909 2512.5757 0.0000 0.0000 52171.5788 -109391.5753 299.8308 -161563.1541 -109037.2286 298.7364 -362.3522 -331.1956 762797.1435 8.1710 8.2415 PRESSURE: 1849400 49.8357 -2.03637 91.6314 -2.03561 2.5745 47.085 91.6319 47.0849 11.4028 GPRESSURE: 1849400 97.7983 -76.1332 106.49 9.68728 35.8195 44.8402 87.7989 53.609 -13.2592 PRESSAVG: 1849400 21.82 -23.12 -19.6787 -23.1199 48.271 31.6124 -19.6786 31.6124 7.43412 GPRESSAVG: 1849400 21.7933 -21.8611 -19.9666 -25.2319 47.0747 31.1306 -20.0156 28.975 8.04963 TIMING: 1849400 CPU: 5847.09, 0.00314665/step Wall: 5847.09, 0.00314665/step, 2.75385 hours remaining, 236.234375 MB of memory in use. ENERGY: 1849400 3994.2254 20757.7293 14497.1954 244.9170 -203567.2727 2588.3674 0.0000 0.0000 52067.7647 -109417.0734 299.2342 -161484.8381 -109054.7529 299.3863 21.2710 40.1195 760776.3284 25.8417 25.6392 PRESSURE: 1849600 -296.473 51.3029 79.8522 51.3027 -88.0098 100.594 79.8526 100.594 40.6869 GPRESSURE: 1849600 -301.26 95.1773 120.919 185.88 -2.09053 101.824 94.0411 29.5372 29.7995 PRESSAVG: 1849600 -46.0788 24.5598 4.66841 24.5598 78.124 -0.397961 4.66839 -0.397871 4.77866 GPRESSAVG: 1849600 -46.7859 24.592 5.09167 25.2465 79.7145 0.543142 4.50629 0.232016 3.89778 TIMING: 1849600 CPU: 5847.72, 0.00314328/step Wall: 5847.72, 0.00314327/step, 2.75071 hours remaining, 236.437500 MB of memory in use. ENERGY: 1849600 4024.1786 20580.8404 14504.4300 246.9389 -203309.4912 2632.8504 0.0000 0.0000 51877.6275 -109442.6254 298.1414 -161320.2529 -109072.4706 299.5408 -114.5988 -91.1837 762469.9908 12.2746 12.2754 PRESSURE: 1849800 -57.0592 52.2691 -187.105 52.2685 159.462 113.874 -187.105 113.873 -202.757 GPRESSURE: 1849800 15.7464 1.63342 -210.233 162.814 166.557 -64.4134 -55.4105 73.0745 -217.254 PRESSAVG: 1849800 -16.6483 -22.8491 -39.276 -22.8491 41.3301 5.30178 -39.276 5.3018 -13.925 GPRESSAVG: 1849800 -14.832 -22.9993 -39.7408 -20.5873 39.2021 3.67568 -38.6487 7.45621 -13.0272 TIMING: 1849800 CPU: 5848.34, 0.00313926/step Wall: 5848.34, 0.00313926/step, 2.74702 hours remaining, 236.437500 MB of memory in use. ENERGY: 1849800 3937.4287 20501.1073 14462.1505 242.1864 -203740.9545 2916.5467 0.0000 0.0000 52086.2018 -109595.3332 299.3401 -161681.5350 -109214.6916 298.7668 -33.4514 -11.6500 762902.4487 3.5856 3.7810 PRESSURE: 1850000 110.263 -168.071 128.384 -168.07 135.953 273.915 128.385 273.914 363.124 GPRESSURE: 1850000 118.609 -100.9 80.4355 -117.334 225.723 277.7 4.24745 270.167 370.861 PRESSAVG: 1850000 -25.1024 -12.0329 30.2883 -12.0328 11.3451 -7.09512 30.2883 -7.09519 -4.31447 GPRESSAVG: 1850000 -26.971 -11.2886 29.7258 -14.7598 13.1852 -6.33181 28.7892 -8.93917 -4.54945 TIMING: 1850000 CPU: 5848.98, 0.003157/step Wall: 5848.98, 0.003157/step, 2.76237 hours remaining, 236.437500 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: 1850000 3950.7083 20561.3409 14452.9954 234.2511 -203510.3841 2865.5690 0.0000 0.0000 51917.6674 -109527.8520 298.3715 -161445.5194 -109167.9512 299.2145 203.1136 238.3975 762429.0966 -6.0239 -6.1118 PRESSURE: 1850200 -158.141 -18.3878 -49.6639 -18.3874 117.947 -49.8866 -49.6642 -49.8858 169.884 GPRESSURE: 1850200 -73.2845 -124.038 -127.399 98.5728 119.178 -93.4581 -18.6446 38.9921 156.289 PRESSAVG: 1850200 -4.57495 30.904 -24.1599 30.904 25.6842 19.9646 -24.1599 19.9647 3.31751 GPRESSAVG: 1850200 -3.82793 31.6209 -24.682 32.1069 25.1123 18.7838 -24.1698 21.869 3.42964 TIMING: 1850200 CPU: 5849.61, 0.00315752/step Wall: 5849.61, 0.00315752/step, 2.76265 hours remaining, 236.437500 MB of memory in use. ENERGY: 1850200 3966.0142 20540.3827 14496.7109 250.1303 -204141.7483 3132.6740 0.0000 0.0000 51924.5714 -109831.2649 298.4112 -161755.8362 -109462.5198 299.0171 43.2300 67.3942 762843.0541 8.1423 8.2380 PRESSURE: 1850400 -203.769 -49.7917 26.8378 -49.7909 -15.9142 86.668 26.8385 86.6678 -17.6046 GPRESSURE: 1850400 -207.29 -51.0063 40.7733 -109.028 12.1492 1.03811 19.1805 -52.2855 32.1752 PRESSAVG: 1850400 -53.5507 -12.9609 -19.2518 -12.9609 39.8619 -20.3774 -19.2519 -20.3773 -10.0934 GPRESSAVG: 1850400 -52.2521 -13.8454 -17.7267 -14.2476 39.1649 -19.7352 -19.8588 -23.0125 -10.6917 TIMING: 1850400 CPU: 5850.24, 0.0031531/step Wall: 5850.24, 0.0031531/step, 2.75861 hours remaining, 236.437500 MB of memory in use. ENERGY: 1850400 3973.1665 20519.7450 14496.8411 244.6065 -203589.1924 2712.0565 0.0000 0.0000 51803.4417 -109839.3351 297.7151 -161642.7768 -109474.9553 298.3036 -79.0958 -54.3218 762752.3875 -7.9274 -7.9263 PRESSURE: 1850600 -96.7152 10.4341 -263.472 10.4344 327.601 -20.3827 -263.472 -20.3831 211.218 GPRESSURE: 1850600 -48.9233 -64.4832 -247.85 -183.684 322.348 38.2448 -210.071 111.812 251.638 PRESSAVG: 1850600 -14.6468 16.1951 -12.3731 16.1951 -6.40593 -39.8265 -12.373 -39.8265 15.6084 GPRESSAVG: 1850600 -15.8534 16.2164 -12.2289 16.7636 -5.67774 -39.7617 -10.8501 -38.6482 15.4377 TIMING: 1850600 CPU: 5850.87, 0.00314134/step Wall: 5850.87, 0.00314134/step, 2.74815 hours remaining, 236.437500 MB of memory in use. ENERGY: 1850600 3954.8328 20461.0029 14571.9565 240.2997 -203490.3181 2662.6982 0.0000 0.0000 51986.0545 -109613.4736 298.7646 -161599.5280 -109247.0528 298.1516 147.3677 175.0210 762796.4976 -1.8148 -2.0311 PRESSURE: 1850800 -164.039 164.334 -69.0807 164.333 -64.7423 -122.003 -69.0805 -122.003 -237.593 GPRESSURE: 1850800 -153.205 155.685 -16.1783 289.027 2.84693 -93.5941 -100.892 -57.3754 -230.017 PRESSAVG: 1850800 -24.3104 21.8659 -59.0408 21.8659 31.2437 1.18464 -59.0409 1.18461 -9.14266 GPRESSAVG: 1850800 -24.985 21.9428 -58.8851 22.1696 31.9444 3.60159 -57.2729 2.85145 -8.71542 TIMING: 1850800 CPU: 5851.5, 0.00314661/step Wall: 5851.5, 0.00314661/step, 2.75259 hours remaining, 236.437500 MB of memory in use. ENERGY: 1850800 4014.2574 20544.8461 14485.0243 250.4469 -203422.1825 2597.4843 0.0000 0.0000 52052.9906 -109477.1330 299.1493 -161530.1236 -109115.9675 299.0604 -155.4579 -126.7918 761303.6655 -0.7365 -0.5854 PRESSURE: 1851000 68.9577 69.387 46.2428 69.3866 261.05 155.12 46.2428 155.12 -182.133 GPRESSURE: 1851000 75.9782 52.1473 136.305 67.4478 217.037 236.395 84.0133 67.3995 -80.0074 PRESSAVG: 1851000 -12.7481 36.8214 -5.92622 36.8214 13.8521 31.621 -5.92621 31.621 1.48624 GPRESSAVG: 1851000 -12.5896 37.5408 -4.80926 35.594 13.2832 27.9504 -8.48904 29.22 1.54285 TIMING: 1851000 CPU: 5852.12, 0.00313895/step Wall: 5852.12, 0.00313895/step, 2.74571 hours remaining, 236.437500 MB of memory in use. ENERGY: 1851000 4076.5159 20702.2789 14507.8988 270.8614 -203662.8548 2824.0975 0.0000 0.0000 51757.9332 -109523.2692 297.4536 -161281.2024 -109170.9846 298.9671 49.2913 71.0026 761793.6197 0.8634 0.7455 PRESSURE: 1851200 -3.30989 5.84616 5.64371 5.84539 -309.314 -118.413 5.64368 -118.412 -105.132 GPRESSURE: 1851200 2.49903 -7.80195 -3.32402 46.4731 -202.163 -81.052 -16.4471 -62.9712 -117.642 PRESSAVG: 1851200 -21.2423 -27.2416 -52.2708 -27.2416 10.519 28.1147 -52.2707 28.1146 18.4697 GPRESSAVG: 1851200 -21.2188 -28.8038 -54.3859 -27.8988 10.3126 29.728 -52.0307 28.5097 18.6455 TIMING: 1851200 CPU: 5852.76, 0.00316258/step Wall: 5852.76, 0.00316258/step, 2.76621 hours remaining, 236.437500 MB of memory in use. ENERGY: 1851200 3993.9565 20414.7951 14486.0385 274.8970 -203391.6363 2640.9261 0.0000 0.0000 52031.8193 -109549.2037 299.0276 -161581.0231 -109186.7138 299.1120 -139.2519 -105.7687 761400.0910 2.5821 2.5798 PRESSURE: 1851400 6.55383 44.5826 119.857 44.5833 -148.074 -115.442 119.858 -115.442 45.8792 GPRESSURE: 1851400 143.358 94.2335 156.66 60.4428 -197.503 -59.2033 17.7628 -53.7407 49.6005 PRESSAVG: 1851400 -44.4882 11.2504 -55.4349 11.2504 48.7372 -17.9678 -55.4349 -17.9676 10.4647 GPRESSAVG: 1851400 -45.7906 11.1941 -55.4181 12.6234 48.1013 -17.1995 -53.4868 -18.0008 12.1177 TIMING: 1851400 CPU: 5853.39, 0.00316487/step Wall: 5853.39, 0.00316487/step, 2.76803 hours remaining, 236.437500 MB of memory in use. ENERGY: 1851400 4035.9944 20607.2858 14479.6182 240.5544 -203758.1482 2843.6844 0.0000 0.0000 52074.1290 -109476.8820 299.2707 -161551.0110 -109122.1059 298.6096 -31.8804 -1.5149 763784.7568 4.9046 4.8095 PRESSURE: 1851600 -46.9804 -110.814 31.2425 -110.814 194.765 -187.918 31.2421 -187.918 107.378 GPRESSURE: 1851600 81.4194 -176.775 69.0294 -152.181 199.928 -170.38 -37.909 4.09807 51.8218 PRESSAVG: 1851600 22.1415 8.82473 -6.97045 8.82471 -54.2663 -70.9414 -6.97045 -70.9415 2.54119 GPRESSAVG: 1851600 24.371 8.81265 -8.09599 9.35463 -54.6896 -69.566 -8.32284 -71.793 0.793101 TIMING: 1851600 CPU: 5854.02, 0.0031386/step Wall: 5854.02, 0.0031386/step, 2.74488 hours remaining, 236.437500 MB of memory in use. ENERGY: 1851600 4035.5274 20499.1745 14428.8408 238.5067 -203759.5623 3065.6904 0.0000 0.0000 51919.4776 -109572.3450 298.3820 -161491.8226 -109214.7500 298.1148 85.0544 111.0563 763837.2775 -9.8612 -9.8418 PRESSURE: 1851800 152.089 -123.812 -11.9746 -123.811 -94.1352 135.946 -11.9737 135.946 -247.716 GPRESSURE: 1851800 84.7641 -85.133 47.1822 -127.892 -42.0235 137.226 33.194 57.1837 -132.274 PRESSAVG: 1851800 18.7566 18.7957 -12.0427 18.7958 -24.7691 -67.3251 -12.0427 -67.3252 1.84583 GPRESSAVG: 1851800 17.5905 21.6894 -11.5368 16.3108 -23.5862 -69.2585 -11.88 -65.2098 2.36375 TIMING: 1851800 CPU: 5854.65, 0.00316456/step Wall: 5854.65, 0.00316456/step, 2.7674 hours remaining, 236.437500 MB of memory in use. ENERGY: 1851800 3984.1232 20569.5837 14560.4228 228.6670 -203783.0763 2936.0928 0.0000 0.0000 52055.1897 -109448.9971 299.1619 -161504.1868 -109089.7059 298.6704 -63.2540 -29.8444 761670.8650 -1.3889 -1.2106 PRESSURE: 1852000 -143.36 27.0638 -67.7284 27.0629 -113.251 -19.98 -67.7292 -19.9803 45.1927 GPRESSURE: 1852000 -26.561 -34.5297 -148.927 26.806 -85.152 1.4694 -27.2241 5.54544 -24.1814 PRESSAVG: 1852000 76.7186 -4.74669 -7.40399 -4.74669 -19.2269 -12.1211 -7.404 -12.1212 -14.8064 GPRESSAVG: 1852000 76.9867 -7.72896 -7.76635 -2.33766 -18.6736 -11.0586 -7.0002 -14.3891 -15.5795 TIMING: 1852000 CPU: 5855.27, 0.00312866/step Wall: 5855.27, 0.00312866/step, 2.73584 hours remaining, 236.437500 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: 1852000 4011.0735 20587.9936 14500.0288 231.2592 -203523.5123 2709.0005 0.0000 0.0000 52165.9364 -109318.2203 299.7984 -161484.1568 -108953.0057 299.0861 -70.4729 -45.2982 762618.4448 14.2284 14.2445 PRESSURE: 1852200 109.107 -77.6499 25.869 -77.6502 -200.138 106.875 25.8694 106.874 -75.9219 GPRESSURE: 1852200 190.483 -104.931 -54.1522 -163.855 -164.901 57.8272 -7.63056 14.1183 -113.067 PRESSAVG: 1852200 40.6789 -0.687821 63.7371 -0.68785 -12.6875 9.7833 63.7371 9.78331 -4.98488 GPRESSAVG: 1852200 40.4728 0.518046 63.5492 0.251774 -14.164 9.22793 64.0784 9.77341 -3.84559 TIMING: 1852200 CPU: 5855.91, 0.00315516/step Wall: 5855.91, 0.00315516/step, 2.75884 hours remaining, 236.437500 MB of memory in use. ENERGY: 1852200 3923.1689 20496.4306 14459.0621 262.5928 -203120.5908 2740.3765 0.0000 0.0000 51739.3140 -109499.6460 297.3465 -161238.9599 -109142.4178 298.3255 -55.6510 -29.1617 762205.7693 7.6688 7.4877 LDB: ============= START OF LOAD BALANCING ============== 5868.44 LDB: ============== END OF LOAD BALANCING =============== 5868.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5868.44 LDB: ============= START OF LOAD BALANCING ============== 5868.76 LDB: Largest compute 7043 load 0.029962 is 15.3% of average load 0.195470 LDB: Average compute 0.004376 is 2.2% of average load 0.195470 LDB: TIME 5868.76 LOAD: AVG 0.19547 MAX 0.218107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 5868.77 LOAD: AVG 0.19547 MAX 0.218107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: TIME 5868.77 LOAD: AVG 0.19547 MAX 0.218107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: ============== END OF LOAD BALANCING =============== 5868.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5868.77 PRESSURE: 1852400 -102.712 -233.204 -86.957 -233.204 -187.943 -62.1464 -86.9573 -62.1472 -298.145 GPRESSURE: 1852400 -42.9653 -336.012 -123.708 -323.702 -172.909 -65.9688 2.73037 -140.551 -306.736 PRESSAVG: 1852400 76.9382 -53.468 38.8657 -53.468 -53.0429 -38.2675 38.8657 -38.2675 -16.0917 GPRESSAVG: 1852400 77.3187 -52.897 40.3837 -56.6282 -52.2858 -38.9389 38.1088 -37.298 -16.6053 TIMING: 1852400 CPU: 5856.56, 0.00324867/step Wall: 5856.56, 0.00324867/step, 2.84042 hours remaining, 235.191406 MB of memory in use. ENERGY: 1852400 3916.7779 20583.5391 14519.6009 258.5799 -203341.1460 2659.1532 0.0000 0.0000 51863.4833 -109540.0116 298.0602 -161403.4949 -109168.6598 298.1764 -196.2666 -174.2033 761846.2207 2.6012 2.8092 PRESSURE: 1852600 2.3837 102.622 92.3709 102.622 12.6401 37.5062 92.3708 37.5063 -77.8583 GPRESSURE: 1852600 -37.864 77.9715 76.4676 55.8425 123.034 34.7172 -37.6433 135.356 -63.8694 PRESSAVG: 1852600 29.3765 -62.7049 2.53395 -62.705 -8.23808 -15.5743 2.53388 -15.5743 -1.49143 GPRESSAVG: 1852600 29.1437 -64.666 2.02758 -61.0019 -6.71493 -16.948 4.02603 -14.546 -2.13403 TIMING: 1852600 CPU: 5857.19, 0.00317874/step Wall: 5857.19, 0.00317874/step, 2.7791 hours remaining, 235.722656 MB of memory in use. ENERGY: 1852600 3934.5362 20663.3827 14529.2641 237.3621 -203851.7200 2921.7372 0.0000 0.0000 52068.9739 -109496.4638 299.2411 -161565.4377 -109135.7691 298.1871 -20.9449 7.1001 762785.1863 6.5490 6.7649 PRESSURE: 1852800 -155.777 -7.80222 -68.2444 -7.80182 -105.586 -101.196 -68.2432 -101.196 149.79 GPRESSURE: 1852800 -130.942 61.8918 -168.058 -34.9913 -60.46 -120.326 22.3489 -197.691 171.531 PRESSAVG: 1852800 3.96614 -53.3827 16.2148 -53.3827 30.6363 29.0363 16.2147 29.0363 0.954423 GPRESSAVG: 1852800 5.64157 -53.4234 16.1542 -52.8646 28.5009 30.8682 14.3238 29.1134 0.859702 TIMING: 1852800 CPU: 5857.83, 0.00318799/step Wall: 5857.83, 0.00318799/step, 2.78701 hours remaining, 235.925781 MB of memory in use. ENERGY: 1852800 4021.2052 20533.3899 14429.1193 238.0368 -203784.0302 2748.6429 0.0000 0.0000 52185.6520 -109627.9841 299.9117 -161813.6362 -109268.6197 298.4700 -37.1911 -6.6239 762031.8737 11.8523 11.6674 PRESSURE: 1853000 -367.307 -77.2988 -105.857 -77.2986 -94.576 81.5702 -105.856 81.5706 -323.318 GPRESSURE: 1853000 -323.253 -40.4186 -60.7711 -106.214 -116.456 104.856 3.2381 95.5555 -267.007 PRESSAVG: 1853000 -2.70582 -17.5625 30.5837 -17.5626 -14.9793 -19.7632 30.5837 -19.7632 -2.6219 GPRESSAVG: 1853000 -4.02245 -16.0549 30.4872 -17.9504 -15.0462 -19.9572 32.1736 -20.6881 -1.26488 TIMING: 1853000 CPU: 5858.46, 0.00315495/step Wall: 5858.46, 0.00315495/step, 2.75795 hours remaining, 235.925781 MB of memory in use. ENERGY: 1853000 3998.5696 20421.2540 14433.7152 234.3518 -202983.8303 2417.3818 0.0000 0.0000 51987.8538 -109490.7040 298.7749 -161478.5578 -109130.8257 298.6474 -261.7336 -235.5722 762770.9713 -6.7690 -6.7779 PRESSURE: 1853200 -218.21 239.918 161.918 239.918 254.583 -21.8847 161.918 -21.8838 -28.278 GPRESSURE: 1853200 -203.458 219.386 88.7177 159.556 317.769 -101.8 277.417 79.7205 -2.5351 PRESSAVG: 1853200 -5.59051 -9.12019 75.6311 -9.1202 -6.31441 27.9494 75.6311 27.9494 -2.93681 GPRESSAVG: 1853200 -6.71301 -10.2967 75.0559 -9.55227 -5.03809 27.6428 75.2179 28.5047 -2.4043 TIMING: 1853200 CPU: 5859.1, 0.00317854/step Wall: 5859.1, 0.00317854/step, 2.7784 hours remaining, 235.925781 MB of memory in use. ENERGY: 1853200 3908.5332 20286.2589 14427.9418 242.0590 -203086.2622 2532.2088 0.0000 0.0000 52067.3863 -109621.8742 299.2320 -161689.2604 -109256.5386 298.5672 2.6983 37.2588 762584.9864 -4.9472 -4.7185 PRESSURE: 1853400 -178.004 54.8824 -16.5386 54.8815 -243.437 -57.74 -16.538 -57.7398 -53.5581 GPRESSURE: 1853400 -176.642 -1.78136 -3.14832 122.212 -229.669 -69.9429 -9.02021 -99.8735 20.5502 PRESSAVG: 1853400 4.02975 25.9765 -59.6804 25.9765 11.1843 47.2802 -59.6804 47.2802 5.34595 GPRESSAVG: 1853400 4.10229 28.1414 -58.6582 25.2738 11.8749 46.0707 -61.395 47.4495 5.07378 TIMING: 1853400 CPU: 5859.73, 0.00316638/step Wall: 5859.73, 0.00316638/step, 2.76759 hours remaining, 235.925781 MB of memory in use. ENERGY: 1853400 3953.7189 20443.0175 14413.2640 260.9422 -203000.0555 2289.7323 0.0000 0.0000 52061.2675 -109578.1130 299.1968 -161639.3805 -109216.9763 298.8977 -158.3331 -128.5871 762682.0629 6.8533 7.0170 PRESSURE: 1853600 -263.533 -144.471 -93.3044 -144.472 34.6747 121.376 -93.3048 121.377 -85.5284 GPRESSURE: 1853600 -154.46 -171.14 -74.5494 -212.616 -57.495 106.089 -88.0565 159.175 -37.7325 PRESSAVG: 1853600 -22.798 -49.9916 -25.587 -49.9917 20.8982 16.734 -25.5871 16.734 11.6158 GPRESSAVG: 1853600 -22.2044 -52.2888 -26.7197 -48.8526 19.06 17.3564 -23.4991 16.516 12.1383 TIMING: 1853600 CPU: 5860.36, 0.00317056/step Wall: 5860.36, 0.00317057/step, 2.77107 hours remaining, 235.925781 MB of memory in use. ENERGY: 1853600 4023.5883 20487.6043 14551.3656 248.9703 -203091.9121 2493.5157 0.0000 0.0000 51773.1219 -109513.7461 297.5408 -161286.8680 -109161.5638 298.5710 -104.7955 -83.2290 763723.6584 3.2387 2.9980 PRESSURE: 1853800 118.415 -256.938 -38.5033 -256.937 196.07 -309.854 -38.503 -309.856 586.079 GPRESSURE: 1853800 185.901 -225.464 39.9521 -205.915 179.65 -264.449 -61.6286 -204.802 601.809 PRESSAVG: 1853800 33.0058 -1.89613 23.2385 -1.8961 -0.155702 -4.81147 23.2385 -4.81148 0.804102 GPRESSAVG: 1853800 33.1352 -0.245512 24.6967 -3.35355 0.0863184 -4.77306 22.4262 -3.42035 0.253297 TIMING: 1853800 CPU: 5861, 0.00317327/step Wall: 5861, 0.00317327/step, 2.77326 hours remaining, 235.925781 MB of memory in use. ENERGY: 1853800 4012.8760 20432.4204 14479.8144 244.5885 -203265.0974 2701.6424 0.0000 0.0000 51955.9243 -109437.8314 298.5914 -161393.7558 -109076.7255 298.6606 300.1878 322.4531 763020.0067 11.2181 11.1583 PRESSURE: 1854000 -127.257 -180.827 -108.086 -180.827 -326.3 11.1285 -108.087 11.1292 -260.439 GPRESSURE: 1854000 -96.1826 -163.551 -87.1622 -57.1331 -222.771 -73.509 -100.113 75.8348 -315.113 PRESSAVG: 1854000 -8.43552 18.0899 39.7326 18.0899 7.20011 108.627 39.7325 108.627 28.0148 GPRESSAVG: 1854000 -8.77385 16.6474 40.0386 19.1877 7.22834 109.836 40.4011 109.095 28.2818 TIMING: 1854000 CPU: 5861.63, 0.00314369/step Wall: 5861.63, 0.00314369/step, 2.74724 hours remaining, 235.925781 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: 1854000 3989.9691 20406.0670 14542.2979 219.8100 -203407.3182 2556.2277 0.0000 0.0000 52376.9261 -109316.0204 301.0109 -161692.9465 -108953.3462 299.2566 -237.9988 -211.3555 762367.7811 8.9265 8.9121 PRESSURE: 1854200 -354.434 85.6207 220.081 85.6211 250.96 34.1997 220.08 34.1999 111.237 GPRESSURE: 1854200 -337.833 -7.27659 185.798 132.62 295.838 69.5526 168.09 -141.648 146.928 PRESSAVG: 1854200 -21.4682 -30.9673 24.9918 -30.9673 32.279 -5.66831 24.9918 -5.6684 3.59473 GPRESSAVG: 1854200 -21.7105 -30.7058 24.8456 -30.5832 31.9303 -4.37214 25.8051 -9.27663 4.10925 TIMING: 1854200 CPU: 5862.26, 0.00314488/step Wall: 5862.26, 0.00314488/step, 2.7481 hours remaining, 235.925781 MB of memory in use. ENERGY: 1854200 3945.6104 20502.9632 14530.9916 255.3457 -203340.6408 2651.6346 0.0000 0.0000 52166.9378 -109287.1576 299.8041 -161454.0954 -108927.6343 299.8448 2.5877 34.9777 761821.1454 4.8018 4.7763 PRESSURE: 1854400 101.693 127.254 136.777 127.254 12.6061 120.453 136.777 120.452 -60.8 GPRESSURE: 1854400 143.247 45.9532 197.828 130.816 88.3167 70.8703 128.957 186.141 -91.6515 PRESSAVG: 1854400 -48.2102 6.80027 -31.1977 6.80028 36.9775 73.8227 -31.1977 73.8228 23.1327 GPRESSAVG: 1854400 -48.9762 4.99552 -29.9198 8.08988 37.9402 70.7855 -34.4433 77.8864 22.3326 TIMING: 1854400 CPU: 5862.89, 0.00318071/step Wall: 5862.89, 0.00318071/step, 2.77923 hours remaining, 235.925781 MB of memory in use. ENERGY: 1854400 4006.7776 20462.1233 14422.4063 240.6513 -203155.7158 2753.1941 0.0000 0.0000 51963.6927 -109306.8706 298.6361 -161270.5633 -108945.5807 299.2853 17.8332 46.6372 762914.1009 3.9666 3.7655 PRESSURE: 1854600 -11.7309 -6.11425 -4.04852 -6.11389 -29.1178 -58.8496 -4.04917 -58.8488 -116.235 GPRESSURE: 1854600 58.2991 33.5515 -99.2708 -26.8904 30.4813 -82.7542 62.1664 -198.801 -158.151 PRESSAVG: 1854600 1.65653 24.4933 -38.0944 24.4933 20.9463 2.51153 -38.0944 2.5115 -23.0124 GPRESSAVG: 1854600 1.43913 26.1432 -40.2529 22.2424 21.4134 3.88384 -35.1445 -1.57885 -23.3026 TIMING: 1854600 CPU: 5863.53, 0.00317173/step Wall: 5863.53, 0.00317173/step, 2.77122 hours remaining, 235.925781 MB of memory in use. ENERGY: 1854600 3883.2150 20568.6706 14464.7956 225.8264 -203258.5911 2633.6796 0.0000 0.0000 52015.9422 -109466.4617 298.9363 -161482.4038 -109101.1223 299.1172 -52.3613 -23.1235 761580.9629 -0.1365 -0.1500 PRESSURE: 1854800 11.9874 0.989532 83.5615 0.98919 -213.206 -266.809 83.561 -266.808 54.8605 GPRESSURE: 1854800 44.6719 -50.1946 153.069 -26.4357 -200.041 -194.16 -85.0394 -289.786 84.3185 PRESSAVG: 1854800 30.9308 36.9662 -2.65486 36.9662 -28.4827 -12.5109 -2.65483 -12.5109 -19.7433 GPRESSAVG: 1854800 31.6851 37.84 -2.37614 39.5958 -29.3164 -14.3281 -4.78026 -8.73943 -19.743 TIMING: 1854800 CPU: 5864.16, 0.0031567/step Wall: 5864.16, 0.0031567/step, 2.75791 hours remaining, 235.925781 MB of memory in use. ENERGY: 1854800 4015.5941 20360.5038 14434.3937 235.1810 -203396.4272 2762.0300 0.0000 0.0000 52268.6973 -109320.0272 300.3889 -161588.7245 -108963.2939 298.9960 -48.7860 -23.6834 763161.7045 -5.7650 -5.7914 PRESSURE: 1855000 594.016 200.747 210.569 200.747 226.685 125.046 210.568 125.046 399.079 GPRESSURE: 1855000 631.31 199.653 245.029 219.295 217.094 62.7344 257.467 124.299 438.8 PRESSAVG: 1855000 -26.7844 38.5707 15.9432 38.5707 46.928 -18.5762 15.9432 -18.5761 9.5041 GPRESSAVG: 1855000 -26.5872 35.6133 17.7035 37.5864 46.2602 -15.8915 17.285 -21.2836 9.97493 TIMING: 1855000 CPU: 5864.79, 0.00316301/step Wall: 5864.79, 0.00316301/step, 2.76324 hours remaining, 235.925781 MB of memory in use. ENERGY: 1855000 3861.6781 20606.4439 14494.1338 247.6007 -203340.4860 2797.8711 0.0000 0.0000 52024.5455 -109308.2129 298.9858 -161332.7584 -108957.9456 299.1731 406.5932 429.0677 760590.5828 9.8826 9.8827 PRESSURE: 1855200 -161.788 100.807 58.487 100.808 116.956 -47.3056 58.4875 -47.3061 -81.7041 GPRESSURE: 1855200 -76.6861 65.0914 3.67265 121.818 118.208 16.1512 22.8509 -52.3239 -92.1927 PRESSAVG: 1855200 12.9443 18.2183 20.3771 18.2184 10.4435 -19.8071 20.3771 -19.8072 -3.32774 GPRESSAVG: 1855200 12.9354 21.1451 19.1001 17.4621 10.9745 -19.8398 19.356 -18.0333 -3.96062 TIMING: 1855200 CPU: 5865.42, 0.00316429/step Wall: 5865.42, 0.00316429/step, 2.76418 hours remaining, 235.925781 MB of memory in use. ENERGY: 1855200 3924.5358 20513.4380 14370.5629 259.3002 -203070.1752 2569.5394 0.0000 0.0000 51944.0692 -109488.7298 298.5233 -161432.7990 -109127.3765 298.9123 -42.1786 -16.8902 761449.6034 6.6867 6.6498 PRESSURE: 1855400 -70.2794 158.223 -20.013 158.223 237.562 -74.7431 -20.013 -74.7426 -68.5512 GPRESSURE: 1855400 1.61278 68.8692 -92.501 199.145 358.284 -140.72 -3.98812 -135.107 -151.328 PRESSAVG: 1855400 -77.2527 18.0232 0.51443 18.0233 46.2694 -8.43607 0.514395 -8.43608 -22.7174 GPRESSAVG: 1855400 -77.4881 16.0427 0.222588 19.5842 46.2582 -9.44857 1.24226 -8.49308 -22.072 TIMING: 1855400 CPU: 5866.05, 0.00315808/step Wall: 5866.05, 0.00315808/step, 2.75858 hours remaining, 235.925781 MB of memory in use. ENERGY: 1855400 3971.6593 20531.0269 14419.9508 269.8575 -203521.9708 2823.6379 0.0000 0.0000 51831.7837 -109674.0546 297.8780 -161505.8383 -109319.2178 298.6357 32.9106 69.5229 761595.5120 -17.9003 -17.7673 PRESSURE: 1855600 -248.391 -162.947 111.285 -162.947 -28.9812 -97.0487 111.286 -97.0482 194.176 GPRESSURE: 1855600 -186.624 -170.335 118.123 -195.219 -16.7457 -9.17039 87.4476 89.8341 199.822 PRESSAVG: 1855600 -57.6162 -40.5836 34.0563 -40.5836 39.1903 20.1064 34.0562 20.1064 14.774 GPRESSAVG: 1855600 -57.4515 -41.224 34.7404 -40.9794 39.3737 21.7289 33.6337 20.2279 15.0844 TIMING: 1855600 CPU: 5866.69, 0.00316575/step Wall: 5866.69, 0.00316575/step, 2.7651 hours remaining, 235.925781 MB of memory in use. ENERGY: 1855600 3976.3784 20408.1912 14454.3022 254.3702 -203392.4659 2684.4629 0.0000 0.0000 52130.5183 -109484.2427 299.5948 -161614.7609 -109116.4644 298.6439 -27.7321 -1.1826 761793.3083 -1.2173 -0.9978 PRESSURE: 1855800 -259.289 -104.293 -111.389 -104.294 11.2028 116.774 -111.389 116.774 146.634 GPRESSURE: 1855800 -163.434 -108.778 -75.5267 -111.209 42.5256 127.807 -55.8362 -28.0376 117.805 PRESSAVG: 1855800 27.0015 -18.2947 46.3002 -18.2948 -23.9202 -1.78053 46.3002 -1.78059 -10.8272 GPRESSAVG: 1855800 27.5429 -16.6137 46.9694 -21.108 -23.5538 -1.25137 46.0686 -4.15285 -11.2737 TIMING: 1855800 CPU: 5867.32, 0.00316095/step Wall: 5867.32, 0.00316095/step, 2.76074 hours remaining, 235.925781 MB of memory in use. ENERGY: 1855800 4001.9877 20578.8108 14513.4504 265.7298 -203161.0159 2506.9594 0.0000 0.0000 51992.2896 -109301.7882 298.8004 -161294.0778 -108943.4696 299.0574 -33.8174 -1.0346 762922.6496 -2.5820 -2.4282 PRESSURE: 1856000 -185.974 -117.338 166.159 -117.337 214.195 62.2292 166.159 62.2285 322.558 GPRESSURE: 1856000 -85.7108 -126.276 125.004 -124.12 209.92 103.982 -33.9202 26.4205 328.321 PRESSAVG: 1856000 -0.535219 -23.5874 -11.4358 -23.5873 8.71779 27.3182 -11.4358 27.3182 -20.995 GPRESSAVG: 1856000 -0.02328 -24.5733 -11.0154 -23.1213 7.52135 26.1761 -10.8669 29.2126 -20.3776 TIMING: 1856000 CPU: 5867.95, 0.00315969/step Wall: 5867.95, 0.00315969/step, 2.75946 hours remaining, 235.925781 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: 1856000 4026.0635 20311.2511 14498.0556 243.6101 -203893.1772 3122.8507 0.0000 0.0000 52105.6249 -109585.7213 299.4517 -161691.3462 -109241.7876 298.7662 116.9261 150.8436 762597.0708 -4.2708 -4.2932 PRESSURE: 1856200 -381.013 79.1677 78.3393 79.1675 -181.073 -113.411 78.3395 -113.411 -198.899 GPRESSURE: 1856200 -377.945 149.902 60.8747 33.4167 -139.064 -164.085 -21.9657 1.20674 -169.908 PRESSAVG: 1856200 -24.3835 -50.3612 23.1315 -50.3611 33.9534 4.91669 23.1315 4.9167 -18.6661 GPRESSAVG: 1856200 -24.3073 -48.7962 20.7914 -47.7304 34.5429 3.85716 22.538 6.49476 -19.0748 TIMING: 1856200 CPU: 5868.58, 0.00315858/step Wall: 5868.58, 0.00315858/step, 2.75832 hours remaining, 235.925781 MB of memory in use. ENERGY: 1856200 3904.7568 20506.3906 14422.4438 259.7112 -203383.4196 2426.5021 0.0000 0.0000 51869.1162 -109994.4989 298.0925 -161863.6152 -109639.9128 298.3317 -253.6617 -228.9724 762888.8528 -3.0321 -2.9464 LDB: ============= START OF LOAD BALANCING ============== 5881.12 LDB: ============== END OF LOAD BALANCING =============== 5881.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5881.12 LDB: ============= START OF LOAD BALANCING ============== 5881.44 LDB: Largest compute 7049 load 0.029690 is 15.2% of average load 0.195527 LDB: Average compute 0.004386 is 2.2% of average load 0.195527 LDB: TIME 5881.44 LOAD: AVG 0.195527 MAX 0.216491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 5881.44 LOAD: AVG 0.195527 MAX 0.216491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 5881.44 LOAD: AVG 0.195527 MAX 0.216491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 5881.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5881.45 PRESSURE: 1856400 280.125 -74.9726 -46.2525 -74.9725 136.085 317.186 -46.2514 317.185 -71.0132 GPRESSURE: 1856400 219.788 3.50338 -31.5954 -141.614 162.413 274.66 -134.728 179.519 36.7745 PRESSAVG: 1856400 73.6849 15.0165 -22.1672 15.0165 -44.3738 20.0123 -22.1671 20.0122 24.6333 GPRESSAVG: 1856400 73.2652 14.4842 -20.6448 14.3503 -43.583 20.1089 -20.69 16.7734 23.9964 TIMING: 1856400 CPU: 5869.23, 0.00323582/step Wall: 5869.23, 0.00323582/step, 2.82559 hours remaining, 235.394531 MB of memory in use. ENERGY: 1856400 3973.7896 20483.6851 14458.1652 250.7323 -203458.5223 2810.3695 0.0000 0.0000 51495.5840 -109986.1966 295.9458 -161481.7806 -109635.2502 297.4737 115.0656 139.6586 761632.8120 17.9815 17.8929 PRESSURE: 1856600 -64.1184 210.069 -72.583 210.068 69.3854 -161.809 -72.5834 -161.809 87.9972 GPRESSURE: 1856600 -74.4812 73.5601 38.195 157.274 197.46 -266.732 -146.657 -51.1218 44.5867 PRESSAVG: 1856600 -12.8288 18.9887 -15.6069 18.9887 -5.85452 26.9102 -15.607 26.9102 6.53692 GPRESSAVG: 1856600 -11.5604 18.2706 -15.0523 17.4217 -5.97965 26.7734 -16.4037 29.1129 6.08207 TIMING: 1856600 CPU: 5869.87, 0.00317582/step Wall: 5869.87, 0.00317582/step, 2.77302 hours remaining, 235.453125 MB of memory in use. ENERGY: 1856600 3933.3482 20436.7072 14482.2084 242.2891 -203400.2977 2775.0906 0.0000 0.0000 51604.2788 -109926.3755 296.5705 -161530.6543 -109578.2565 297.6719 31.0881 55.8552 761668.8718 -4.0488 -3.8193 PRESSURE: 1856800 60.1316 -90.0038 86.2292 -90.0041 -202.249 41.5388 86.2289 41.5383 -164.16 GPRESSURE: 1856800 29.2994 -26.9594 114.058 -89.8614 -188.638 -11.7697 227.71 -0.109613 -47.814 PRESSAVG: 1856800 -19.6747 18.2699 -22.5541 18.2699 34.8968 -18.8243 -22.5541 -18.8243 -6.82619 GPRESSAVG: 1856800 -20.8561 18.532 -22.4136 19.6298 35.3931 -19.2137 -23.6 -19.7652 -5.79383 TIMING: 1856800 CPU: 5870.5, 0.00315355/step Wall: 5870.5, 0.00315355/step, 2.7534 hours remaining, 235.453125 MB of memory in use. ENERGY: 1856800 3980.2690 20456.3069 14443.4746 247.4469 -203231.1558 2435.7818 0.0000 0.0000 51853.7752 -109814.1014 298.0044 -161667.8766 -109467.3142 298.0108 -102.0924 -69.0508 762165.4644 2.7987 2.9144 PRESSURE: 1857000 242.611 -157.783 41.1728 -157.783 293.151 -209.779 41.1729 -209.78 -9.22296 GPRESSURE: 1857000 191.488 -94.4137 27.3307 -68.0981 352.062 -177.661 42.7376 -241.753 70.6943 PRESSAVG: 1857000 -10.5308 -13.7396 -16.8245 -13.7396 32.6383 -56.8803 -16.8245 -56.8803 16.6322 GPRESSAVG: 1857000 -9.37057 -12.0173 -18.5848 -13.8083 32.2041 -54.8277 -14.0257 -57.9989 15.4166 TIMING: 1857000 CPU: 5871.12, 0.00313903/step Wall: 5871.12, 0.00313903/step, 2.74055 hours remaining, 235.484375 MB of memory in use. ENERGY: 1857000 3927.4459 20434.6924 14454.8339 242.6051 -203785.3440 2768.4937 0.0000 0.0000 52294.9646 -109662.3083 300.5399 -161957.2729 -109302.9417 298.5835 175.5131 204.7483 761365.4058 12.9132 12.7500 PRESSURE: 1857200 176.155 16.7997 -149.238 16.7993 33.5841 -211.725 -149.238 -211.726 147.328 GPRESSURE: 1857200 201.848 -10.2009 -226.019 -42.9252 92.9121 -125.08 -34.9099 -72.426 165.724 PRESSAVG: 1857200 -23.4553 -7.20707 -47.9808 -7.20705 62.2495 -0.159065 -47.9809 -0.159014 -21.9088 GPRESSAVG: 1857200 -23.1106 -9.35319 -46.6777 -7.57331 61.3455 -1.76814 -49.6832 0.675117 -21.2148 TIMING: 1857200 CPU: 5871.75, 0.00313425/step Wall: 5871.75, 0.00313425/step, 2.7362 hours remaining, 235.484375 MB of memory in use. ENERGY: 1857200 4025.6461 20425.4877 14482.8390 247.9612 -203468.3802 2580.0011 0.0000 0.0000 52108.7834 -109597.6616 299.4699 -161706.4450 -109241.8853 298.8608 119.0226 153.4947 759668.3801 5.6285 5.6734 PRESSURE: 1857400 -72.737 42.4802 318.047 42.48 -282.568 112.616 318.048 112.615 -262.441 GPRESSURE: 1857400 -24.0313 -33.9655 303.996 -72.2416 -250.75 140.655 242.438 44.4158 -258.234 PRESSAVG: 1857400 21.6148 11.7644 23.5543 11.7644 -45.5494 -4.60687 23.5543 -4.60692 6.57616 GPRESSAVG: 1857400 21.4892 12.441 23.3277 11.6843 -44.7747 -4.14895 25.4741 -6.61673 6.24928 TIMING: 1857400 CPU: 5872.38, 0.0031273/step Wall: 5872.38, 0.0031273/step, 2.72996 hours remaining, 235.484375 MB of memory in use. ENERGY: 1857400 4012.0474 20463.5264 14444.7973 237.5031 -203455.1261 2638.6378 0.0000 0.0000 51950.2738 -109708.3402 298.5589 -161658.6140 -109348.4825 298.5016 -205.9155 -177.6718 763103.8241 -5.7862 -5.6787 PRESSURE: 1857600 -373.639 95.1235 102.453 95.1235 19.8507 -68.7054 102.453 -68.7059 -192.816 GPRESSURE: 1857600 -270.224 85.7877 37.0156 150.469 -7.29322 -84.6128 42.6022 -13.0758 -183.318 PRESSAVG: 1857600 -59.5179 -13.1357 -13.0894 -13.1358 -2.46415 13.26 -13.0894 13.26 -5.57703 GPRESSAVG: 1857600 -61.2255 -14.1483 -13.7225 -12.4518 -0.261622 14.1331 -14.7549 16.1206 -5.72769 TIMING: 1857600 CPU: 5873.01, 0.00316766/step Wall: 5873.01, 0.00316766/step, 2.76502 hours remaining, 235.484375 MB of memory in use. ENERGY: 1857600 3971.8797 20451.5318 14516.3211 252.2438 -203265.5074 2573.3350 0.0000 0.0000 51927.7933 -109572.4027 298.4297 -161500.1960 -109221.7874 298.6710 -182.2017 -153.6117 762240.3606 -22.5197 -22.4049 PRESSURE: 1857800 -109.841 45.878 15.6273 45.8777 153.727 -42.5873 15.6268 -42.5875 336.593 GPRESSURE: 1857800 53.526 -44.6668 9.00322 40.9921 74.9504 7.50172 0.0512652 -55.2363 326.574 PRESSAVG: 1857800 40.1455 26.8264 15.2219 26.8264 -12.5917 -24.7205 15.2218 -24.7206 -10.2557 GPRESSAVG: 1857800 42.0562 26.6861 15.6812 25.8856 -13.9857 -24.3974 15.1553 -23.7125 -10.448 TIMING: 1857800 CPU: 5873.64, 0.00317123/step Wall: 5873.64, 0.00317123/step, 2.76796 hours remaining, 235.687500 MB of memory in use. ENERGY: 1857800 3869.3121 20495.9792 14541.4090 257.5684 -203595.2758 2817.7848 0.0000 0.0000 51952.7909 -109660.4314 298.5734 -161613.2223 -109296.8451 298.9628 126.8263 151.6834 760310.4294 5.7660 5.8742 PRESSURE: 1858000 -193.109 20.3161 -46.203 20.3159 -153.944 3.33859 -46.203 3.33866 63.6923 GPRESSURE: 1858000 -280.012 -10.02 5.63222 143.084 -31.3739 47.733 -230.29 4.12119 108.125 PRESSAVG: 1858000 2.59379 -21.6266 -38.6233 -21.6266 -11.584 9.48336 -38.6233 9.48338 -12.9519 GPRESSAVG: 1858000 1.41292 -21.7973 -39.3406 -21.7845 -11.2216 10.0089 -39.0433 8.45872 -12.3756 TIMING: 1858000 CPU: 5874.28, 0.00316462/step Wall: 5874.28, 0.00316462/step, 2.76201 hours remaining, 235.687500 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: 1858000 3948.7882 20512.3108 14449.2408 251.1558 -202929.5702 2391.3450 0.0000 0.0000 51863.8405 -109512.8892 298.0622 -161376.7297 -109153.1480 299.1418 -94.4536 -67.7536 760622.8907 -7.3140 -7.3948 PRESSURE: 1858200 -424.727 -77.8787 -4.14745 -77.8783 -298.773 -3.16923 -4.14644 -3.16925 -171.135 GPRESSURE: 1858200 -344.846 -13.9622 9.20851 -105.102 -235.721 -33.4792 1.79491 -82.8045 -225.269 PRESSAVG: 1858200 6.0115 33.1641 -37.357 33.164 7.02293 8.26792 -37.3571 8.26796 5.15552 GPRESSAVG: 1858200 6.37315 33.8045 -38.2524 31.4578 7.34073 7.10926 -38.7294 7.0183 4.7058 TIMING: 1858200 CPU: 5874.91, 0.00317171/step Wall: 5874.91, 0.00317171/step, 2.76802 hours remaining, 235.687500 MB of memory in use. ENERGY: 1858200 4016.8006 20438.4575 14527.0539 239.1674 -203388.5706 2580.4640 0.0000 0.0000 51821.2996 -109765.3276 297.8177 -161586.6272 -109408.0115 298.4203 -298.2115 -268.6117 761452.6427 6.0633 6.1399 PRESSURE: 1858400 97.2078 13.6016 -31.14 13.6013 174.103 41.2693 -31.14 41.2684 173.087 GPRESSURE: 1858400 106.605 -2.12396 -142.463 37.5905 275.849 -20.2593 101.57 98.4905 168.731 PRESSAVG: 1858400 35.5201 42.099 -30.1584 42.099 25.5865 -28.1877 -30.1583 -28.1877 6.19991 GPRESSAVG: 1858400 35.229 42.8442 -28.4648 43.1807 26.2642 -27.2485 -28.6377 -29.6919 6.47807 TIMING: 1858400 CPU: 5875.55, 0.00317989/step Wall: 5875.55, 0.0031799/step, 2.77499 hours remaining, 235.687500 MB of memory in use. ENERGY: 1858400 3935.8988 20460.4404 14478.4634 243.4780 -203340.1718 2680.6619 0.0000 0.0000 51886.9634 -109654.2659 298.1951 -161541.2293 -109290.1946 298.4671 148.1324 183.7282 761207.8617 22.4355 22.6571 PRESSURE: 1858600 148.269 316.535 -181.128 316.536 -261.235 -24.8046 -181.128 -24.8046 559.81 GPRESSURE: 1858600 126.359 308.421 -145.746 338.98 -189.761 -96.6725 -163.774 -51.391 582.226 PRESSAVG: 1858600 7.90183 -12.1076 -61.5087 -12.1076 22.2911 -31.9583 -61.5087 -31.9584 -25.4493 GPRESSAVG: 1858600 9.15888 -14.1036 -63.4786 -11.8884 20.6002 -32.6258 -61.3357 -30.8071 -25.0089 TIMING: 1858600 CPU: 5876.18, 0.00316384/step Wall: 5876.18, 0.00316384/step, 2.7608 hours remaining, 235.687500 MB of memory in use. ENERGY: 1858600 3990.3240 20526.2546 14506.2203 218.2154 -203250.2497 2650.3835 0.0000 0.0000 51597.5691 -109761.2828 296.5319 -161358.8519 -109387.4208 298.4344 148.9480 172.9410 761077.0378 1.5812 1.5834 PRESSURE: 1858800 140.992 -179.604 -136.874 -179.603 195.647 86.9786 -136.873 86.9788 -13.7646 GPRESSURE: 1858800 116.483 -97.8339 -150.11 -235.478 272.457 20.6739 -206.682 101.718 33.9693 PRESSAVG: 1858800 37.9637 14.3216 -53.8666 14.3216 -12.9507 -45.3451 -53.8666 -45.3451 -1.04914 GPRESSAVG: 1858800 35.7069 15.6812 -53.8342 13.7979 -11.8502 -47.6335 -53.5588 -44.2837 -0.491227 TIMING: 1858800 CPU: 5876.81, 0.00314871/step Wall: 5876.81, 0.00314871/step, 2.74742 hours remaining, 235.687500 MB of memory in use. ENERGY: 1858800 3925.0208 20643.3905 14463.3141 234.8941 -203659.8684 2918.5579 0.0000 0.0000 51716.9402 -109757.7509 297.2180 -161474.6910 -109404.2672 298.1583 107.6248 140.9699 760459.2345 7.9879 7.7885 PRESSURE: 1859000 -120.684 -81.9913 -180.722 -81.991 463.102 -216.784 -180.722 -216.785 317.341 GPRESSURE: 1859000 -7.63931 -122.868 -110.998 22.3891 411.822 -186.917 -107.722 -112.251 350.626 PRESSAVG: 1859000 16.4176 -30.0297 -19.8102 -30.0298 24.6388 -25.7331 -19.8102 -25.733 -13.8009 GPRESSAVG: 1859000 17.877 -29.6899 -18.5045 -31.0151 23.853 -23.3971 -18.9546 -27.3189 -13.9468 TIMING: 1859000 CPU: 5877.44, 0.0031484/step Wall: 5877.44, 0.0031484/step, 2.74698 hours remaining, 235.687500 MB of memory in use. ENERGY: 1859000 3922.0158 20502.6538 14447.0668 235.4707 -203630.2808 2897.7922 0.0000 0.0000 52155.9258 -109469.3557 299.7408 -161625.2815 -109111.7612 298.5997 219.9195 251.6027 758863.8678 9.0852 9.2611 PRESSURE: 1859200 -171.922 293.539 -211.218 293.54 53.7852 127.873 -211.217 127.874 -200.05 GPRESSURE: 1859200 -140.197 86.3244 -225.308 350.107 44.7424 114.171 -142.01 153.17 -145.67 PRESSAVG: 1859200 -4.42679 -51.3851 -49.7925 -51.3851 -11.1535 -4.55159 -49.7925 -4.55161 31.2763 GPRESSAVG: 1859200 -5.00614 -51.8127 -51.5855 -48.5052 -9.34259 -4.66471 -48.0421 -2.80414 30.2901 TIMING: 1859200 CPU: 5878.07, 0.00315605/step Wall: 5878.07, 0.00315605/step, 2.75348 hours remaining, 235.687500 MB of memory in use. ENERGY: 1859200 4045.5668 20508.1471 14463.9479 251.4310 -203364.1469 2574.7384 0.0000 0.0000 52096.2226 -109424.0931 299.3977 -161520.3157 -109062.7424 298.8524 -106.0624 -80.3746 760733.2972 5.2320 5.3138 PRESSURE: 1859400 -127.675 48.2695 -74.6441 48.2693 -52.6781 42.6396 -74.6441 42.64 152.488 GPRESSURE: 1859400 -37.2056 -112.283 -100.315 -38.1502 13.5819 74.5221 13.5823 99.4931 85.5547 PRESSAVG: 1859400 -75.8085 -12.2844 -38.608 -12.2844 59.627 40.803 -38.608 40.803 15.0837 GPRESSAVG: 1859400 -74.0364 -12.9973 -37.8642 -15.4569 58.3509 41.4407 -39.6637 40.3181 14.9439 TIMING: 1859400 CPU: 5878.7, 0.0031499/step Wall: 5878.7, 0.0031499/step, 2.74794 hours remaining, 235.687500 MB of memory in use. ENERGY: 1859400 3982.2857 20526.2215 14463.8964 267.0152 -203339.5962 2624.9647 0.0000 0.0000 51912.8531 -109562.3596 298.3439 -161475.2127 -109193.2455 299.6952 -9.2882 20.6437 760193.5739 -0.3659 -0.2472 PRESSURE: 1859600 233.813 23.7925 -108.375 23.7923 240.389 143.673 -108.374 143.672 -112.206 GPRESSURE: 1859600 263.069 -4.18307 -137.567 140.419 307.873 91.7439 -83.6467 166.218 -129.783 PRESSAVG: 1859600 -17.3871 -68.1255 8.53696 -68.1255 25.0185 27.0288 8.53701 27.0288 4.39579 GPRESSAVG: 1859600 -19.1952 -67.9593 9.2553 -66.99 26.2093 26.1274 8.07923 25.5769 5.05811 TIMING: 1859600 CPU: 5879.33, 0.00315516/step Wall: 5879.33, 0.00315516/step, 2.75235 hours remaining, 235.687500 MB of memory in use. ENERGY: 1859600 3986.0945 20481.4178 14540.9906 248.1043 -203587.0572 2868.9460 0.0000 0.0000 51906.2082 -109555.2958 298.3057 -161461.5039 -109185.1931 298.8243 120.6655 147.0531 759529.1766 4.0091 4.0241 PRESSURE: 1859800 256.26 -55.6834 -59.0734 -55.683 303.129 -17.3299 -59.074 -17.3305 -7.78106 GPRESSURE: 1859800 185.453 26.2329 -30.5166 -115.292 331.831 71.5731 -140.103 -97.258 106.057 PRESSAVG: 1859800 38.5129 5.16937 -17.3116 5.16938 5.59238 56.7096 -17.3116 56.7095 12.0414 GPRESSAVG: 1859800 38.4512 7.02315 -16.3772 4.98325 5.89425 58.0928 -19.0745 56.9112 11.5247 TIMING: 1859800 CPU: 5879.97, 0.00316731/step Wall: 5879.97, 0.00316731/step, 2.76277 hours remaining, 235.687500 MB of memory in use. ENERGY: 1859800 3940.2447 20541.3585 14534.6603 258.0974 -203442.8977 2784.0597 0.0000 0.0000 51929.6224 -109454.8546 298.4403 -161384.4770 -109096.7726 298.9348 183.8695 207.7804 761944.5036 18.7156 18.6234 PRESSURE: 1860000 -370.407 173.592 -13.8678 173.593 -244.47 -25.239 -13.867 -25.2392 42.1655 GPRESSURE: 1860000 -281.67 162.211 68.7478 4.84442 -234.966 0.554184 8.7573 -123.634 33.7127 PRESSAVG: 1860000 5.17222 1.50148 6.45127 1.50146 -28.8656 25.2724 6.45128 25.2725 3.44039 GPRESSAVG: 1860000 6.21306 0.940836 5.58019 0.140533 -30.4758 25.15 7.31089 24.0375 4.24005 TIMING: 1860000 CPU: 5880.59, 0.00312606/step Wall: 5880.59, 0.00312606/step, 2.72662 hours remaining, 235.687500 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: 1860000 3962.6149 20592.6502 14456.0169 245.1049 -203244.4438 2482.7088 0.0000 0.0000 52088.1836 -109417.1645 299.3515 -161505.3481 -109050.8753 298.9170 -190.9039 -160.9743 761583.8275 -6.7510 -6.6742 PRESSURE: 1860200 -209.758 96.4814 -54.5518 96.4817 -216.039 115.6 -54.5511 115.6 -116.967 GPRESSURE: 1860200 -52.3662 -0.265479 -141.141 -14.5673 -255.332 139.821 -72.8785 75.3146 -141.053 PRESSAVG: 1860200 25.2376 -23.5418 -66.1377 -23.5418 -39.597 32.8492 -66.1376 32.8493 15.7755 GPRESSAVG: 1860200 25.0315 -24.2679 -65.313 -21.2777 -38.0574 33.3683 -66.4618 33.2122 14.9082 TIMING: 1860200 CPU: 5881.22, 0.00315622/step Wall: 5881.22, 0.00315622/step, 2.75275 hours remaining, 235.687500 MB of memory in use. ENERGY: 1860200 4071.3526 20528.9745 14447.5846 263.5239 -203361.7721 2669.6630 0.0000 0.0000 51901.3049 -109479.3686 298.2775 -161380.6735 -109112.8539 299.2908 -180.9212 -149.5836 763161.8643 0.4721 0.6274 LDB: ============= START OF LOAD BALANCING ============== 5893.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5893.76 LDB: =============== DONE WITH MIGRATION ================ 5893.76 LDB: ============= START OF LOAD BALANCING ============== 5894.08 LDB: Largest compute 7070 load 0.029670 is 15.2% of average load 0.195430 LDB: Average compute 0.004398 is 2.3% of average load 0.195430 LDB: TIME 5894.08 LOAD: AVG 0.19543 MAX 0.213755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 5894.08 LOAD: AVG 0.19543 MAX 0.213755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 5894.08 LOAD: AVG 0.19543 MAX 0.213755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 5894.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5894.09 PRESSURE: 1860400 168.007 -72.039 242.432 -72.0398 185.893 261.846 242.432 261.846 239.572 GPRESSURE: 1860400 237.239 99.8627 156.789 -109.148 215.384 159.84 8.16085 185.913 213.759 PRESSAVG: 1860400 12.3616 -33.6258 -26.3778 -33.6257 -24.3323 56.1024 -26.3778 56.1023 -4.19697 GPRESSAVG: 1860400 12.8209 -34.2611 -28.5006 -34.2044 -25.5253 56.6009 -25.8914 57.2658 -3.66872 TIMING: 1860400 CPU: 5881.87, 0.00324397/step Wall: 5881.87, 0.00324396/step, 2.8291 hours remaining, 234.371094 MB of memory in use. ENERGY: 1860400 3997.5589 20600.3343 14421.9350 259.5961 -203556.5639 2842.4633 0.0000 0.0000 51974.7341 -109459.9420 298.6995 -161434.6761 -109100.8246 298.7722 197.8243 222.1271 763012.6397 -5.3892 -5.4577 PRESSURE: 1860600 -65.7818 181.78 -202.561 181.779 161.849 -98.4131 -202.56 -98.4136 119.324 GPRESSURE: 1860600 -87.2687 11.3783 -176.48 182.218 144.372 -60.6007 -194.514 -48.9477 221.583 PRESSAVG: 1860600 -54.9717 -7.73357 -33.6958 -7.73359 42.0844 49.5885 -33.6958 49.5885 33.4322 GPRESSAVG: 1860600 -56.0285 -7.97461 -32.5202 -6.62557 41.717 48.5334 -33.6688 47.6974 35.1754 TIMING: 1860600 CPU: 5882.51, 0.00319227/step Wall: 5882.51, 0.00319227/step, 2.78383 hours remaining, 234.371094 MB of memory in use. ENERGY: 1860600 4056.8081 20713.5258 14513.8336 257.6919 -203873.5375 2902.2365 0.0000 0.0000 52148.6938 -109280.7479 299.6993 -161429.4417 -108931.2352 299.1690 71.7972 92.8955 762776.5829 6.8483 6.9547 PRESSURE: 1860800 266.328 -93.091 -33.2891 -93.0918 -64.4689 102.636 -33.2889 102.636 -214.974 GPRESSURE: 1860800 386.463 -57.9072 -48.2365 -193.37 -40.0454 91.2231 -53.0989 -28.0421 -265.573 PRESSAVG: 1860800 37.0272 -28.6069 24.9141 -28.6069 -37.1045 61.037 24.9141 61.037 2.84579 GPRESSAVG: 1860800 37.4764 -25.9239 22.8393 -29.6498 -36.1878 61.7158 25.6213 61.0394 1.6889 TIMING: 1860800 CPU: 5883.14, 0.00315257/step Wall: 5883.14, 0.00315257/step, 2.74904 hours remaining, 234.371094 MB of memory in use. ENERGY: 1860800 4039.8692 20558.2716 14547.3624 240.6920 -203523.2594 2768.6243 0.0000 0.0000 52171.1588 -109197.2812 299.8284 -161368.4400 -108833.3515 299.4703 -4.3717 26.9482 761401.4529 0.9228 0.9925 PRESSURE: 1861000 -222.78 0.680343 1.47253 0.679849 -283.827 -165.275 1.47243 -165.275 -123.224 GPRESSURE: 1861000 -223.719 0.299873 11.6371 -49.9208 -126.348 -122.813 27.5603 -190.03 -195.73 PRESSAVG: 1861000 24.8441 -34.7031 75.5357 -34.7031 -5.5905 -41.6531 75.5358 -41.6531 3.19486 GPRESSAVG: 1861000 24.0482 -35.5975 77.7082 -34.9889 -5.42405 -43.3201 75.4811 -39.5851 3.75913 TIMING: 1861000 CPU: 5883.77, 0.00314904/step Wall: 5883.77, 0.00314904/step, 2.74579 hours remaining, 234.371094 MB of memory in use. ENERGY: 1861000 4051.4127 20533.1420 14499.2009 265.4506 -203200.4391 2570.2783 0.0000 0.0000 52097.0407 -109183.9139 299.4024 -161280.9546 -108830.1593 299.7841 -209.9438 -181.9326 763154.3679 7.4828 7.4611 PRESSURE: 1861200 -124.673 122.553 -25.3142 122.554 42.3305 92.6275 -25.3142 92.6264 -92.945 GPRESSURE: 1861200 -176.125 132.663 -12.6966 131.415 71.2521 136.325 -13.7005 190.753 35.4888 PRESSAVG: 1861200 -48.3966 -44.5745 23.608 -44.5745 59.563 -51.0527 23.608 -51.0528 -8.4708 GPRESSAVG: 1861200 -48.1151 -44.1184 23.815 -42.8552 60.7118 -49.3215 23.0641 -51.9457 -9.42791 TIMING: 1861200 CPU: 5884.4, 0.00315927/step Wall: 5884.4, 0.00315927/step, 2.75454 hours remaining, 234.371094 MB of memory in use. ENERGY: 1861200 3954.9217 20579.5651 14545.1126 249.5270 -203059.5004 2459.3645 0.0000 0.0000 52221.3619 -109049.6476 300.1169 -161271.0095 -108689.3528 300.4703 -58.4291 -23.1279 763672.1481 0.8985 1.0563 PRESSURE: 1861400 -307.891 -250.429 2.07861 -250.431 96.6209 -3.96158 2.07803 -3.9625 166.968 GPRESSURE: 1861400 -189.716 -230.04 -63.9867 -90.9183 39.9545 -44.8852 31.1291 -5.90234 169.159 PRESSAVG: 1861400 -80.8325 -95.5099 -2.9364 -95.5099 32.8452 -5.57298 -2.9364 -5.57301 21.6593 GPRESSAVG: 1861400 -81.0212 -95.4843 -2.90026 -97.03 33.244 -7.06557 -2.95743 -4.88399 21.1415 TIMING: 1861400 CPU: 5885.03, 0.00314877/step Wall: 5885.03, 0.00314877/step, 2.7452 hours remaining, 234.371094 MB of memory in use. ENERGY: 1861400 4010.9669 20374.8550 14547.5811 254.9661 -203294.9646 2677.9260 0.0000 0.0000 52112.1828 -109316.4867 299.4894 -161428.6695 -108960.1095 299.4068 -14.7675 6.4659 762682.4727 -8.7760 -8.8786 PRESSURE: 1861600 90.9871 -38.6001 -212.359 -38.5995 1.75596 40.4656 -212.358 40.4641 -77.4135 GPRESSURE: 1861600 143.509 2.63246 -192.686 -36.0179 -24.4759 32.3998 -73.7625 74.5576 -8.07122 PRESSAVG: 1861600 -20.5377 -48.7572 35.407 -48.7572 69.1713 13.4781 35.407 13.4781 -5.83063 GPRESSAVG: 1861600 -20.1998 -49.2792 35.4978 -50.3494 67.9275 14.0426 36.8694 13.4968 -4.6138 TIMING: 1861600 CPU: 5885.65, 0.00311896/step Wall: 5885.65, 0.00311896/step, 2.71904 hours remaining, 234.371094 MB of memory in use. ENERGY: 1861600 4030.1806 20548.0596 14473.6633 230.3719 -202863.6931 2372.9289 0.0000 0.0000 51867.9541 -109340.5348 298.0858 -161208.4889 -108981.7076 299.2242 5.1099 36.9874 760447.7486 14.2677 14.3713 PRESSURE: 1861800 -136.668 53.358 214.105 53.3582 -325.767 -101.662 214.105 -101.662 369.757 GPRESSURE: 1861800 -53.9855 -5.62113 196.166 147.905 -238.189 -72.3556 211.467 3.17993 269.219 PRESSAVG: 1861800 -1.45877 -0.156219 -2.66619 -0.156235 -37.6062 2.0757 -2.6662 2.07569 -26.1998 GPRESSAVG: 1861800 -1.70694 -0.174395 -2.67377 0.917803 -37.2254 2.4433 -3.96134 0.703622 -26.0026 TIMING: 1861800 CPU: 5886.28, 0.00314708/step Wall: 5886.28, 0.00314708/step, 2.74338 hours remaining, 234.371094 MB of memory in use. ENERGY: 1861800 3991.2789 20567.2555 14497.1126 239.7209 -202830.9016 2390.0737 0.0000 0.0000 51875.4942 -109269.9657 298.1292 -161145.4599 -108903.6993 298.8794 -30.8925 -7.6521 762849.3452 -21.7549 -21.6450 PRESSURE: 1862000 304.971 -32.9597 94.533 -32.9601 513.346 -97.377 94.5338 -97.378 24.3402 GPRESSURE: 1862000 318.516 -3.2632 36.332 -71.4391 507.637 -152.16 140.428 -81.5449 94.5037 PRESSAVG: 1862000 34.0589 -19.0275 -16.1992 -19.0275 9.92574 -1.91517 -16.1992 -1.91521 -3.90779 GPRESSAVG: 1862000 34.6822 -18.179 -15.7834 -20.3022 10.1712 -1.97642 -15.5861 0.908237 -5.23557 TIMING: 1862000 CPU: 5886.92, 0.00317212/step Wall: 5886.92, 0.00317212/step, 2.76503 hours remaining, 234.371094 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: 1862000 3995.5395 20541.6784 14375.1702 267.8349 -203531.3537 2769.9263 0.0000 0.0000 52169.6711 -109411.5334 299.8198 -161581.2044 -109055.8082 298.7733 280.8860 306.8854 761992.6876 13.3590 13.2059 PRESSURE: 1862200 -131.928 33.5583 143.753 33.5579 83.5364 114.72 143.752 114.721 -11.3733 GPRESSURE: 1862200 -70.3404 12.9253 118.873 -69.132 85.511 177.742 117.268 155.533 -0.107164 PRESSAVG: 1862200 -9.17721 -41.9245 20.1959 -41.9244 16.312 -16.5618 20.1959 -16.5618 -6.17726 GPRESSAVG: 1862200 -9.41747 -43.6669 20.2492 -39.3458 15.7117 -15.6264 18.646 -17.5859 -5.00054 TIMING: 1862200 CPU: 5887.56, 0.00319741/step Wall: 5887.56, 0.00319741/step, 2.7869 hours remaining, 234.371094 MB of memory in use. ENERGY: 1862200 4143.1768 20408.1212 14447.0588 245.1879 -203401.2037 2508.0680 0.0000 0.0000 52024.5359 -109625.0551 298.9857 -161649.5910 -109273.3729 298.9587 -19.9215 5.0212 762170.0841 0.3192 0.4312 PRESSURE: 1862400 -69.8542 -96.7159 -67.9926 -96.7168 148.876 -213.087 -67.9923 -213.087 88.7421 GPRESSURE: 1862400 -92.0978 -15.4115 -126.85 15.6808 185.661 -183.602 -180.063 -323.292 141.655 PRESSAVG: 1862400 -32.0964 -20.8543 -43.0568 -20.8543 -13.1553 10.8662 -43.0567 10.8661 10.5687 GPRESSAVG: 1862400 -31.9623 -19.8128 -44.5369 -22.4734 -12.2402 11.135 -42.3197 9.25585 9.97035 TIMING: 1862400 CPU: 5888.19, 0.00315917/step Wall: 5888.19, 0.00315917/step, 2.75339 hours remaining, 234.371094 MB of memory in use. ENERGY: 1862400 4046.4554 20445.6349 14512.2563 230.9414 -203729.8842 2905.2028 0.0000 0.0000 51951.7701 -109637.6233 298.5675 -161589.3934 -109285.6554 298.1496 55.9212 78.4061 761596.7759 -11.5610 -11.4107 PRESSURE: 1862600 75.9062 242.602 116.83 242.602 -281.301 -89.9171 116.83 -89.9161 213.393 GPRESSURE: 1862600 121.461 167.57 74.1703 96.0226 -203.797 -212.329 80.9409 54.2549 177.056 PRESSAVG: 1862600 -5.77067 -30.6847 12.9294 -30.6848 -46.1741 -22.4544 12.9294 -22.4544 7.25088 GPRESSAVG: 1862600 -5.36255 -31.2518 14.3233 -31.9509 -47.0896 -22.8795 9.97224 -23.2382 8.09271 TIMING: 1862600 CPU: 5888.82, 0.00316391/step Wall: 5888.82, 0.00316391/step, 2.75735 hours remaining, 234.371094 MB of memory in use. ENERGY: 1862600 4025.5787 20387.9557 14503.3719 243.2777 -203237.7539 2633.3679 0.0000 0.0000 51817.4206 -109626.7814 297.7954 -161444.2020 -109266.4011 298.2327 2.6661 31.5735 763511.7526 -14.8980 -14.7865 PRESSURE: 1862800 -266.344 -41.0119 -206.617 -41.0117 223.482 275.402 -206.616 275.401 -130.451 GPRESSURE: 1862800 -232.871 -129.178 -163.411 -136.931 262.415 306.36 -120.336 256.583 -120.651 PRESSAVG: 1862800 13.4668 -39.9714 -20.5546 -39.9713 45.5796 -17.0102 -20.5546 -17.0102 18.8399 GPRESSAVG: 1862800 11.6357 -41.0122 -20.3192 -39.294 46.7028 -17.4585 -18.4542 -15.0564 19.4293 TIMING: 1862800 CPU: 5889.45, 0.00314633/step Wall: 5889.45, 0.00314633/step, 2.74185 hours remaining, 234.371094 MB of memory in use. ENERGY: 1862800 4011.8988 20469.3213 14554.5302 260.2618 -203557.6734 2732.4455 0.0000 0.0000 51862.1668 -109667.0489 298.0526 -161529.2157 -109299.7840 297.9478 -57.7708 -30.3687 762862.8072 25.9621 25.9226 PRESSURE: 1863000 -101.073 -85.3847 134.539 -85.3851 79.2462 -79.5515 134.54 -79.552 147.751 GPRESSURE: 1863000 -76.2792 -38.3894 201.564 -0.576088 105.787 -35.2603 27.9518 -32.8618 177.851 PRESSAVG: 1863000 7.6411 -64.6851 8.48557 -64.6851 2.45513 38.0698 8.4856 38.0699 23.2383 GPRESSAVG: 1863000 8.88365 -62.9921 8.44488 -63.2534 2.29113 37.1698 8.43511 37.4723 22.2603 TIMING: 1863000 CPU: 5890.09, 0.00318256/step Wall: 5890.09, 0.00318256/step, 2.77325 hours remaining, 234.371094 MB of memory in use. ENERGY: 1863000 3997.9924 20412.1221 14476.7088 246.0686 -203426.3883 2721.7432 0.0000 0.0000 51832.2153 -109739.5379 297.8805 -161571.7532 -109357.1036 298.2874 41.9748 69.1194 761618.2331 11.1115 11.1450 PRESSURE: 1863200 -274.987 -23.1228 9.29178 -23.1228 393.294 28.8759 9.29221 28.8763 109.441 GPRESSURE: 1863200 -214.18 7.39407 -35.5402 116.575 469.408 73.6432 -20.1363 -12.1503 75.5572 PRESSAVG: 1863200 -28.1761 -10.464 -30.2974 -10.4639 22.7576 24.7433 -30.2975 24.7433 1.86947 GPRESSAVG: 1863200 -27.8608 -9.91134 -31.8207 -11.9551 22.8451 26.0139 -29.8451 23.8845 1.85533 TIMING: 1863200 CPU: 5890.73, 0.00318711/step Wall: 5890.73, 0.00318711/step, 2.77704 hours remaining, 234.371094 MB of memory in use. ENERGY: 1863200 4030.9346 20381.9060 14402.2583 238.9374 -204184.9830 3217.2142 0.0000 0.0000 52093.8977 -109819.8348 299.3843 -161913.7325 -109459.4198 298.3224 75.9158 110.2617 761938.4629 -1.1830 -1.0535 PRESSURE: 1863400 -1.04777 -153.954 178.256 -153.955 63.705 30.5372 178.255 30.5372 -24.7312 GPRESSURE: 1863400 13.9607 -184.062 178.554 -173.26 90.6333 37.9172 87.5725 -9.91474 6.24193 PRESSAVG: 1863400 -12.2808 -13.3452 -19.3201 -13.3452 -45.8536 21.003 -19.3201 21.0031 14.1688 GPRESSAVG: 1863400 -13.2548 -12.5514 -18.023 -12.1201 -44.2226 19.208 -21.0849 22.344 13.7919 TIMING: 1863400 CPU: 5891.36, 0.00316548/step Wall: 5891.36, 0.00316548/step, 2.75801 hours remaining, 234.371094 MB of memory in use. ENERGY: 1863400 3944.8282 20323.9261 14473.0400 251.3966 -203370.3811 2615.8648 0.0000 0.0000 51934.7540 -109826.5714 298.4697 -161761.3254 -109465.6513 297.9768 12.6420 36.9453 762169.1235 -14.6552 -14.5618 PRESSURE: 1863600 -78.5286 61.5326 -168.065 61.5335 -200.868 -0.897929 -168.065 -0.896246 51.8248 GPRESSURE: 1863600 -115.422 -11.5575 -75.5739 10.6104 -173.41 -2.93061 -195.764 44.3391 131.613 PRESSAVG: 1863600 -22.7827 -18.1158 15.9951 -18.1158 -35.3737 -11.8264 15.9951 -11.8265 7.57069 GPRESSAVG: 1863600 -21.1709 -19.9867 16.7131 -18.6012 -37.2194 -11.1773 18.4567 -12.7671 7.50576 TIMING: 1863600 CPU: 5891.99, 0.00315089/step Wall: 5891.99, 0.00315089/step, 2.74513 hours remaining, 234.371094 MB of memory in use. ENERGY: 1863600 4023.5148 20647.3703 14431.5013 259.7191 -203411.1656 2794.2167 0.0000 0.0000 51592.9684 -109661.8749 296.5055 -161254.8433 -109307.9924 298.0637 -75.8572 -52.4061 761774.3907 -16.8619 -16.9615 PRESSURE: 1863800 81.4428 -237.979 -174.785 -237.979 169.601 38.1806 -174.784 38.1807 -291.614 GPRESSURE: 1863800 81.2957 -152.305 -104.561 -290.539 196.674 -42.1443 -139.81 104.24 -214.796 PRESSAVG: 1863800 -37.0228 -48.198 -60.3266 -48.198 16.8412 51.3199 -60.3266 51.3199 14.9586 GPRESSAVG: 1863800 -38.3901 -47.8923 -61.7081 -48.4958 17.6849 49.8136 -61.1364 52.3312 15.6568 TIMING: 1863800 CPU: 5892.62, 0.00317298/step Wall: 5892.62, 0.00317298/step, 2.76419 hours remaining, 234.371094 MB of memory in use. ENERGY: 1863800 3944.6337 20381.3745 14494.6217 248.5936 -203107.1476 2522.3630 0.0000 0.0000 51933.2373 -109582.3238 298.4610 -161515.5610 -109219.4570 298.0495 -13.5237 21.0579 762372.5609 -1.7410 -1.6828 PRESSURE: 1864000 23.0387 -68.6994 210.393 -68.6994 -28.0848 159.616 210.393 159.618 22.4523 GPRESSURE: 1864000 -15.5303 -128.103 289.124 34.5492 21.1331 86.3931 146.803 95.2038 105.235 PRESSAVG: 1864000 -60.7169 -18.8444 -22.8518 -18.8444 24.203 24.1405 -22.8519 24.1406 -17.9406 GPRESSAVG: 1864000 -60.1274 -18.4538 -22.5131 -19.406 23.6545 25.9261 -23.3958 22.2274 -18.1885 TIMING: 1864000 CPU: 5893.26, 0.00319473/step Wall: 5893.26, 0.00319473/step, 2.78296 hours remaining, 234.371094 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: 1864000 3887.8642 20417.7820 14453.2969 249.5675 -203652.8722 2894.3560 0.0000 0.0000 52048.8647 -109701.1409 299.1255 -161750.0056 -109336.1067 298.4723 5.8021 36.9461 761449.4004 -18.1515 -18.2205 PRESSURE: 1864200 63.0726 -109.872 -229.53 -109.872 108.226 17.2136 -229.53 17.213 589.453 GPRESSURE: 1864200 123.557 -113.327 -222.498 -79.9606 182.422 80.7722 -225.874 76.9705 543.464 PRESSAVG: 1864200 -50.7791 -31.7194 -43.4035 -31.7194 35.4588 -6.85544 -43.4035 -6.85544 -6.68188 GPRESSAVG: 1864200 -51.7439 -32.6224 -41.4439 -31.4802 36.6208 -7.44507 -45.5604 -6.92696 -6.81107 TIMING: 1864200 CPU: 5893.89, 0.00315698/step Wall: 5893.89, 0.00315698/step, 2.7499 hours remaining, 234.371094 MB of memory in use. ENERGY: 1864200 3865.3563 20401.9210 14506.9661 258.8620 -203331.9034 2754.7291 0.0000 0.0000 51940.3867 -109603.6822 298.5021 -161544.0689 -109239.3446 298.3928 253.5838 283.1475 762837.2404 -7.3340 -7.3114 LDB: ============= START OF LOAD BALANCING ============== 5906.43 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5906.43 LDB: =============== DONE WITH MIGRATION ================ 5906.43 LDB: ============= START OF LOAD BALANCING ============== 5906.74 LDB: Largest compute 7064 load 0.028677 is 14.7% of average load 0.195455 LDB: Average compute 0.004371 is 2.2% of average load 0.195455 LDB: TIME 5906.75 LOAD: AVG 0.195455 MAX 0.219758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 5906.75 LOAD: AVG 0.195455 MAX 0.219758 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 5906.75 LOAD: AVG 0.195455 MAX 0.216747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 5906.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5906.76 PRESSURE: 1864400 -198.217 87.0039 137.835 87.0028 361.38 -108.031 137.834 -108.031 -436.897 GPRESSURE: 1864400 -229.672 16.4325 192.003 52.5837 426.755 -208.453 171.424 80.4467 -373.368 PRESSAVG: 1864400 3.03762 -63.1266 -10.4556 -63.1266 9.67523 20.1606 -10.4556 20.1606 -12.9551 GPRESSAVG: 1864400 3.39107 -61.7397 -10.6899 -62.7325 9.39104 19.7858 -9.21166 22.4512 -12.9356 TIMING: 1864400 CPU: 5894.54, 0.00322393/step Wall: 5894.54, 0.00322393/step, 2.80804 hours remaining, 235.710938 MB of memory in use. ENERGY: 1864400 3986.0696 20386.0159 14547.6881 244.3604 -203674.6543 2946.8759 0.0000 0.0000 52167.5881 -109396.0562 299.8078 -161563.6443 -109024.7818 298.9684 -91.2446 -58.7617 762385.3397 -0.0807 -0.0512 PRESSURE: 1864600 -122.313 -340.977 -265.025 -340.977 146.702 -19.351 -265.025 -19.3514 -622.139 GPRESSURE: 1864600 -145.351 -298 -238.337 -325.799 106.35 26.3016 -256.338 -86.6283 -467.85 PRESSAVG: 1864600 0.94378 -53.3053 -51.8477 -53.3053 -0.793312 86.5241 -51.8477 86.5242 -14.5433 GPRESSAVG: 1864600 0.712162 -55.2609 -52.962 -53.2871 -0.708094 87.012 -50.8603 85.3168 -14.4918 TIMING: 1864600 CPU: 5895.18, 0.00319338/step Wall: 5895.18, 0.00319339/step, 2.78126 hours remaining, 235.710938 MB of memory in use. ENERGY: 1864600 4044.9092 20459.9574 14412.0527 253.3354 -203320.9388 2614.0760 0.0000 0.0000 52119.8546 -109416.7535 299.5335 -161536.6081 -109054.1528 298.9695 -199.2502 -168.9504 762900.4056 -4.7976 -4.8293 PRESSURE: 1864800 185.394 -16.9993 7.73567 -16.9997 49.8146 -206.89 7.73602 -206.891 620.776 GPRESSURE: 1864800 234.6 -87.5204 -39.9258 113.712 167.696 -122.003 50.7759 -165.813 543.502 PRESSAVG: 1864800 39.08 -34.3327 -7.60862 -34.3326 -25.4438 12.2015 -7.60855 12.2016 12.3532 GPRESSAVG: 1864800 40.8649 -33.5619 -8.53983 -35.3057 -26.8541 12.993 -8.2209 11.3223 12.5187 TIMING: 1864800 CPU: 5895.82, 0.0031958/step Wall: 5895.82, 0.0031958/step, 2.78318 hours remaining, 235.710938 MB of memory in use. ENERGY: 1864800 4031.8229 20484.7221 14562.5606 274.3033 -203573.8709 2812.6722 0.0000 0.0000 51933.2712 -109474.5185 298.4612 -161407.7897 -109125.6564 299.0033 285.3282 315.2660 762039.5283 8.6631 8.8432 PRESSURE: 1865000 48.1195 132.981 178.049 132.981 -86.0191 -265.357 178.05 -265.359 7.46024 GPRESSURE: 1865000 71.7587 187.703 204.239 27.9852 31.6509 -212.704 225.086 -249.733 -71.8065 PRESSAVG: 1865000 -38.7293 7.37567 -60.1768 7.37563 23.9339 -32.4155 -60.1768 -32.4155 -22.1329 GPRESSAVG: 1865000 -39.7544 7.84583 -58.0582 5.99897 25.2517 -33.6059 -59.1971 -32.9382 -22.6697 TIMING: 1865000 CPU: 5896.45, 0.00318501/step Wall: 5896.45, 0.00318501/step, 2.77362 hours remaining, 235.710938 MB of memory in use. ENERGY: 1865000 4008.4704 20532.2574 14478.3606 248.0174 -203827.0340 2856.0459 0.0000 0.0000 52130.3090 -109573.5732 299.5936 -161703.8822 -109218.7883 298.6388 -10.1464 10.5344 762562.3932 -12.3095 -12.3908 PRESSURE: 1865200 -204.506 -283.623 -95.5971 -283.622 75.1987 -55.9362 -95.5967 -55.9365 -8.54746 GPRESSURE: 1865200 -186.34 -302.741 -44.8688 -221.834 79.099 -23.0878 -166.554 3.94662 55.1974 PRESSAVG: 1865200 4.46774 -74.2514 -61.656 -74.2514 -6.12762 37.9614 -61.6561 37.9615 3.51323 GPRESSAVG: 1865200 4.36318 -74.198 -63.8968 -72.7019 -6.83094 39.0316 -62.2957 39.0557 4.48078 TIMING: 1865200 CPU: 5897.09, 0.00319673/step Wall: 5897.09, 0.00319673/step, 2.78364 hours remaining, 235.710938 MB of memory in use. ENERGY: 1865200 3889.4436 20647.3785 14478.0463 263.8006 -203464.4169 2684.0264 0.0000 0.0000 51801.7847 -109699.9368 297.7056 -161501.7214 -109331.4093 298.6278 -45.9516 -17.3480 762417.5173 0.6178 0.6710 PRESSURE: 1865400 -100.47 82.7919 -210.923 82.7914 -72.7299 103.9 -210.924 103.9 162.248 GPRESSURE: 1865400 -88.4489 110.737 -266.171 242.034 -29.8251 152.249 -156.129 40.1967 189.372 PRESSAVG: 1865400 39.8296 -53.9063 -64.346 -53.9063 -6.12964 10.2264 -64.3461 10.2264 6.37313 GPRESSAVG: 1865400 39.1712 -52.9764 -63.2915 -52.7985 -4.57059 10.2256 -64.7621 11.9688 5.75357 TIMING: 1865400 CPU: 5897.73, 0.00317/step Wall: 5897.73, 0.00317/step, 2.76019 hours remaining, 235.710938 MB of memory in use. ENERGY: 1865400 3968.6572 20448.4175 14567.9852 250.6173 -204037.5408 2843.1904 0.0000 0.0000 52051.4015 -109907.2716 299.1401 -161958.6731 -109548.2266 298.1142 -3.6505 23.6994 762256.5371 13.3577 13.4514 PRESSURE: 1865600 -173.676 -144.358 1.38039 -144.358 -432.68 80.4108 1.38051 80.4101 33.9198 GPRESSURE: 1865600 -182.611 -73.2374 45.0599 -214.015 -266.907 87.8318 130.154 -30.2607 -43.7322 PRESSAVG: 1865600 6.46296 -16.864 -61.5059 -16.864 21.5144 38.4292 -61.5059 38.4292 15.7553 GPRESSAVG: 1865600 6.57382 -18.3033 -61.1033 -18.6101 20.8251 37.037 -57.4895 36.9113 16.2572 TIMING: 1865600 CPU: 5898.36, 0.00318487/step Wall: 5898.36, 0.00318487/step, 2.77296 hours remaining, 235.710938 MB of memory in use. ENERGY: 1865600 3991.5040 20339.2928 14537.8878 256.7826 -203752.0888 2782.7140 0.0000 0.0000 51876.4235 -109967.4842 298.1345 -161843.9077 -109611.6688 297.8292 -190.8122 -164.4166 761878.3562 14.5776 14.5520 PRESSURE: 1865800 -37.1193 -5.18598 -241.449 -5.1869 88.6323 -28.6572 -241.448 -28.658 -315.531 GPRESSURE: 1865800 -42.6152 -39.7196 -258.512 36.2269 168.429 -59.4067 -388.623 -24.8581 -315.804 PRESSAVG: 1865800 24.0213 -26.7368 -79.3448 -26.7367 -28.8585 -31.9928 -79.3448 -31.9928 -16.0181 GPRESSAVG: 1865800 22.9552 -26.4145 -80.242 -26.3927 -28.8363 -32.7867 -82.0854 -33.0812 -15.5145 TIMING: 1865800 CPU: 5898.99, 0.00315332/step Wall: 5898.99, 0.00315332/step, 2.74532 hours remaining, 235.710938 MB of memory in use. ENERGY: 1865800 4014.5621 20377.2773 14521.5082 250.6635 -203931.5522 2852.5501 0.0000 0.0000 51805.3548 -110109.6362 297.7261 -161914.9910 -109755.5791 297.6239 -88.0061 -63.3300 761213.6245 -6.9518 -7.1318 PRESSURE: 1866000 -314.721 95.8631 -139.296 95.8633 -321.631 309.563 -139.295 309.563 -103.905 GPRESSURE: 1866000 -248.781 78.3787 -171.275 225.788 -186.817 349.812 -15.6942 232.565 -212.277 PRESSAVG: 1866000 23.3295 2.58543 -27.2727 2.58539 18.1076 -28.6214 -27.2728 -28.6214 -1.50499 GPRESSAVG: 1866000 24.3685 0.936908 -27.0012 5.91313 18.2324 -25.7552 -27.7922 -30.151 -2.77233 TIMING: 1866000 CPU: 5899.63, 0.00317863/step Wall: 5899.63, 0.00317863/step, 2.76718 hours remaining, 235.710938 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: 1866000 4036.9431 20450.0545 14471.3308 259.8752 -203625.3952 2750.1154 0.0000 0.0000 51819.1196 -109837.9566 297.8052 -161657.0762 -109468.7798 297.8318 -246.7523 -215.9585 761997.8997 13.3107 13.2762 PRESSURE: 1866200 -134.283 -233.933 -168.331 -233.932 -24.1135 -296.061 -168.33 -296.061 24.8361 GPRESSURE: 1866200 -47.3766 -134.054 -196.856 -159.236 0.214526 -213.99 -236.135 -259.183 -8.0172 PRESSAVG: 1866200 -15.8277 -21.1531 -56.0826 -21.1531 27.236 -15.9468 -56.0825 -15.9468 -2.92476 GPRESSAVG: 1866200 -15.5435 -18.1956 -54.9315 -22.2248 26.6681 -17.4269 -58.5219 -13.8364 -2.71202 TIMING: 1866200 CPU: 5900.26, 0.0031532/step Wall: 5900.26, 0.0031532/step, 2.74486 hours remaining, 235.710938 MB of memory in use. ENERGY: 1866200 4081.2955 20405.7005 14388.9622 234.9473 -203550.6695 2522.1087 0.0000 0.0000 51966.4254 -109951.2298 298.6518 -161917.6552 -109594.3928 297.9911 -44.5202 -18.3931 761847.0287 2.8279 2.8042 PRESSURE: 1866400 -82.9106 227.097 -256.562 227.097 12.881 -132.454 -256.563 -132.453 -375.184 GPRESSURE: 1866400 -16.9303 191.564 -342.93 134.113 13.9922 -105.174 -106.606 -73.9758 -367.286 PRESSAVG: 1866400 32.1899 -41.8523 -70.7986 -41.8523 0.14851 -20.5498 -70.7987 -20.5499 -7.35542 GPRESSAVG: 1866400 32.6722 -42.3046 -72.5649 -43.4565 -1.35238 -19.8948 -67.4752 -21.3746 -6.23284 TIMING: 1866400 CPU: 5900.89, 0.00316532/step Wall: 5900.89, 0.00316532/step, 2.75524 hours remaining, 235.710938 MB of memory in use. ENERGY: 1866400 3945.3606 20486.6299 14501.8906 245.2163 -203486.1909 2724.7501 0.0000 0.0000 51750.0056 -109832.3377 297.4080 -161582.3432 -109475.6970 298.0789 -148.4046 -123.4080 760839.6051 8.3277 8.3623 PRESSURE: 1866600 -85.1685 50.5355 -103.256 50.5352 31.6764 -170.154 -103.256 -170.153 -217.229 GPRESSURE: 1866600 -73.5004 58.0262 -92.1855 116.308 55.2214 -182.628 -215.386 -202.475 -168.293 PRESSAVG: 1866600 7.36444 17.599 -20.7252 17.5991 23.411 2.84987 -20.7252 2.84981 5.11576 GPRESSAVG: 1866600 5.48938 15.9315 -19.58 20.5423 25.946 2.66452 -19.5379 0.68419 4.14285 TIMING: 1866600 CPU: 5901.53, 0.0031729/step Wall: 5901.53, 0.0031729/step, 2.76165 hours remaining, 235.710938 MB of memory in use. ENERGY: 1866600 4020.1517 20483.1737 14491.1623 257.4011 -203694.2159 2824.8844 0.0000 0.0000 51971.3055 -109646.1372 298.6798 -161617.4427 -109289.8520 298.1804 -90.2403 -62.1907 760997.4794 11.9637 11.8594 PRESSURE: 1866800 -109.174 208.71 -15.294 208.711 85.9725 230.098 -15.2928 230.098 33.2282 GPRESSURE: 1866800 -71.3383 255.256 13.2535 165.059 144.806 206.92 -47.7715 226.986 41.8546 PRESSAVG: 1866800 -34.8754 -6.67303 8.99776 -6.67302 33.2869 -10.1891 8.99778 -10.1892 -6.1433 GPRESSAVG: 1866800 -34.3943 -3.34313 8.89107 -10.3375 32.4534 -10.5297 6.37838 -7.66528 -5.78374 TIMING: 1866800 CPU: 5902.16, 0.00316401/step Wall: 5902.16, 0.00316401/step, 2.75375 hours remaining, 235.710938 MB of memory in use. ENERGY: 1866800 3992.8410 20497.8158 14432.1609 233.3776 -203372.1290 2732.2584 0.0000 0.0000 52028.7505 -109454.9247 299.0099 -161483.6752 -109093.1854 298.8007 3.3421 38.4408 762338.7960 -2.5772 -2.5749 PRESSURE: 1867000 144.724 26.7166 -202.458 26.7176 -32.6659 -65.9632 -202.458 -65.9644 -12.8121 GPRESSURE: 1867000 153.689 -99.189 -174.062 -0.84534 -37.5653 -96.4103 -114.864 3.91403 54.4465 PRESSAVG: 1867000 -30.2445 -14.6732 -10.6306 -14.6731 46.5562 49.4482 -10.6306 49.4482 13.1431 GPRESSAVG: 1867000 -29.9301 -14.5878 -10.5449 -11.8814 47.1185 49.2615 -10.2592 48.9271 12.7116 TIMING: 1867000 CPU: 5902.79, 0.00315014/step Wall: 5902.79, 0.00315014/step, 2.7415 hours remaining, 235.710938 MB of memory in use. ENERGY: 1867000 3895.5539 20577.7703 14474.3841 248.6290 -203572.7450 2954.0972 0.0000 0.0000 52033.7075 -109388.6031 299.0384 -161422.3107 -109011.2030 299.2425 33.0821 56.8569 762646.7820 9.8183 9.9667 PRESSURE: 1867200 -49.2622 -0.60872 -91.08 -0.608629 -98.8885 -13.2049 -91.0799 -13.2061 -493.931 GPRESSURE: 1867200 -38.2327 -38.3097 -88.9102 -10.1046 -14.3107 12.0802 -32.1557 20.6135 -494.505 PRESSAVG: 1867200 -9.56919 -40.1758 7.45435 -40.1758 45.3008 1.72513 7.45435 1.72519 0.839688 GPRESSAVG: 1867200 -9.32251 -42.5285 8.02345 -40.199 44.9141 0.991492 6.9862 2.14479 0.548492 TIMING: 1867200 CPU: 5903.42, 0.00315336/step Wall: 5903.42, 0.00315336/step, 2.74412 hours remaining, 235.710938 MB of memory in use. ENERGY: 1867200 4044.5006 20481.0497 14488.6984 247.2335 -203577.1919 2746.7033 0.0000 0.0000 52060.1213 -109508.8851 299.1902 -161569.0064 -109136.7054 299.6336 -214.0271 -182.3495 761296.2881 12.1904 12.0467 PRESSURE: 1867400 -58.0681 88.563 -40.9225 88.563 -254.585 -129.384 -40.923 -129.383 4.09713 GPRESSURE: 1867400 -60.5753 26.9767 -47.5586 -22.6766 -237.973 -70.3839 -136.681 -43.4124 58.5331 PRESSAVG: 1867400 -6.42532 -24.6686 33.5135 -24.6686 15.1895 38.5016 33.5135 38.5016 9.63495 GPRESSAVG: 1867400 -6.96307 -26.9942 30.9963 -26.9813 15.7914 39.1377 34.4 37.3452 9.74123 TIMING: 1867400 CPU: 5904.05, 0.00315854/step Wall: 5904.05, 0.00315854/step, 2.74846 hours remaining, 235.710938 MB of memory in use. ENERGY: 1867400 4023.7264 20816.1419 14474.2964 268.7648 -203652.3994 2778.8477 0.0000 0.0000 51866.3287 -109424.2934 298.0765 -161290.6221 -109069.1825 299.3386 -102.8520 -80.0050 761806.0648 6.1330 6.1899 PRESSURE: 1867600 -167.227 90.8412 48.2963 90.8411 11.0341 -228.071 48.2964 -228.071 156.804 GPRESSURE: 1867600 -148.769 158.236 1.90833 122.924 44.5436 -213.127 33.911 -97.0995 189.763 PRESSAVG: 1867600 29.7774 -33.2041 -12.3002 -33.2041 14.2086 28.8267 -12.3002 28.8267 9.39738 GPRESSAVG: 1867600 30.1993 -30.8089 -11.9511 -33.7306 14.1849 28.9821 -13.0915 31.0374 9.50057 TIMING: 1867600 CPU: 5904.69, 0.00317435/step Wall: 5904.69, 0.00317435/step, 2.76203 hours remaining, 235.710938 MB of memory in use. ENERGY: 1867600 3919.4009 20680.4769 14552.3733 227.8419 -203271.8378 2480.8746 0.0000 0.0000 52038.9874 -109371.8829 299.0688 -161410.8703 -109002.3967 299.1990 0.2034 28.5125 761706.5644 17.7944 17.9616 PRESSURE: 1867800 -96.5731 -26.4925 -5.81972 -26.4919 -136.091 15.3395 -5.81951 15.3395 -38.4505 GPRESSURE: 1867800 -35.8597 -11.2733 -7.77009 -45.7082 -39.2437 36.818 101.115 5.76908 -97.0041 PRESSAVG: 1867800 37.0586 -49.322 -16.6244 -49.322 -23.427 -5.25682 -16.6244 -5.25688 -24.3575 GPRESSAVG: 1867800 36.93 -50.4349 -14.8317 -48.4298 -23.0123 -5.00073 -15.3632 -6.72375 -24.3082 TIMING: 1867800 CPU: 5905.32, 0.00317334/step Wall: 5905.32, 0.00317334/step, 2.76098 hours remaining, 235.710938 MB of memory in use. ENERGY: 1867800 4116.6447 20661.8892 14499.4008 249.4555 -203530.4106 2793.5692 0.0000 0.0000 51888.0589 -109321.3924 298.2014 -161209.4512 -108956.0115 299.1955 -90.3717 -57.3691 762826.3480 -3.5753 -3.4635 PRESSURE: 1868000 42.644 120.8 127.708 120.801 63.1339 -99.3458 127.709 -99.3458 -266.312 GPRESSURE: 1868000 8.48141 35.7861 173.841 74.1465 83.7255 -82.4251 -56.8958 -116.253 -172.027 PRESSAVG: 1868000 35.0558 -20.098 27.2945 -20.098 25.774 24.4052 27.2945 24.4052 -7.19444 GPRESSAVG: 1868000 35.2137 -20.8524 29.0398 -19.2385 25.2561 24.984 25.2904 24.6481 -6.85575 TIMING: 1868000 CPU: 5905.96, 0.00316282/step Wall: 5905.96, 0.00316282/step, 2.75165 hours remaining, 235.710938 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: 1868000 3938.1424 20795.8134 14467.8295 251.4992 -204000.2627 3143.9003 0.0000 0.0000 51949.3031 -109453.7747 298.5534 -161403.0778 -109087.5150 299.0364 -53.5114 -26.6066 763561.5941 17.8785 17.8714 PRESSURE: 1868200 -262.931 -84.6032 -381.197 -84.6041 -58.3216 14.2243 -381.197 14.2244 222.549 GPRESSURE: 1868200 -229.803 -174.399 -416.831 -76.9328 -82.3981 60.6591 -290.068 -75.4783 278.549 PRESSAVG: 1868200 3.45804 -37.3891 45.5092 -37.3891 -30.6189 37.2022 45.5091 37.2023 -8.8128 GPRESSAVG: 1868200 1.64117 -36.6775 43.7883 -39.3155 -29.2083 36.5863 47.5843 34.209 -8.67159 TIMING: 1868200 CPU: 5906.59, 0.00318212/step Wall: 5906.59, 0.00318212/step, 2.76827 hours remaining, 235.710938 MB of memory in use. ENERGY: 1868200 4049.8486 20653.4572 14449.8546 248.1191 -203581.3035 2744.2200 0.0000 0.0000 51953.7162 -109482.0879 298.5787 -161435.8041 -109123.6066 298.7242 -32.9010 -11.2174 763892.2794 -11.9912 -12.0796 LDB: ============= START OF LOAD BALANCING ============== 5919.13 LDB: ============== END OF LOAD BALANCING =============== 5919.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5919.13 LDB: ============= START OF LOAD BALANCING ============== 5919.44 LDB: Largest compute 7043 load 0.029639 is 15.2% of average load 0.195472 LDB: Average compute 0.004395 is 2.2% of average load 0.195472 LDB: TIME 5919.45 LOAD: AVG 0.195472 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.48 MB LDB: TIME 5919.45 LOAD: AVG 0.195472 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.52 MB LDB: TIME 5919.45 LOAD: AVG 0.195472 MAX 0.21335 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.52 MB LDB: ============== END OF LOAD BALANCING =============== 5919.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5919.45 PRESSURE: 1868400 200.501 179.761 6.66984 179.761 452.855 234.409 6.6688 234.408 389.467 GPRESSURE: 1868400 243.224 208.79 -101.056 203.687 466.412 275.624 27.1131 175.858 408.33 PRESSAVG: 1868400 6.56532 25.3814 -11.4402 25.3813 30.8656 43.1628 -11.4402 43.1628 14.0414 GPRESSAVG: 1868400 8.10387 27.6568 -12.216 25.8371 29.0047 41.225 -10.5627 46.0302 13.9505 TIMING: 1868400 CPU: 5907.24, 0.00322224/step Wall: 5907.24, 0.00322224/step, 2.80299 hours remaining, 234.882812 MB of memory in use. ENERGY: 1868400 3983.9706 20557.2668 14520.7163 258.6300 -203914.8633 3078.1977 0.0000 0.0000 52172.8640 -109343.2180 299.8382 -161516.0820 -108970.6349 299.1345 347.6077 372.6555 762045.8312 17.1574 17.0197 PRESSURE: 1868600 29.6451 9.46508 -16.3981 9.46545 -8.21407 -4.39128 -16.3977 -4.3917 185.95 GPRESSURE: 1868600 84.4755 -88.8752 32.3847 -63.4663 38.7393 -43.9721 -136.099 24.5147 185.826 PRESSAVG: 1868600 -42.0227 -14.1436 11.6356 -14.1436 25.4042 44.1467 11.6356 44.1467 16.7184 GPRESSAVG: 1868600 -41.0877 -16.1929 13.5066 -14.2137 25.9527 45.6407 8.46737 42.0906 15.7465 TIMING: 1868600 CPU: 5907.87, 0.00314726/step Wall: 5907.87, 0.00314726/step, 2.73759 hours remaining, 234.882812 MB of memory in use. ENERGY: 1868600 3980.4801 20659.9537 14466.6923 255.9685 -203486.5278 2826.9139 0.0000 0.0000 52064.0635 -109232.4559 299.2129 -161296.5194 -108874.6965 299.2411 69.1270 103.0136 763617.4528 0.0333 0.2039 PRESSURE: 1868800 28.0874 56.0298 -32.0802 56.0295 -207.817 -96.8445 -32.0795 -96.8438 -129.098 GPRESSURE: 1868800 10.4567 -59.2199 24.0744 123.794 -195.045 -30.8362 -68.6644 -209.237 -54.015 PRESSAVG: 1868800 -13.9931 22.4739 3.51312 22.474 26.4757 20.2206 3.51309 20.2206 6.10387 GPRESSAVG: 1868800 -14.9565 24.2011 1.12768 22.7354 25.6524 20.3349 7.75161 20.3869 8.19071 TIMING: 1868800 CPU: 5908.5, 0.00315116/step Wall: 5908.5, 0.00315116/step, 2.74081 hours remaining, 235.085938 MB of memory in use. ENERGY: 1868800 4039.4709 20512.4477 14493.5296 244.0095 -203830.9256 2860.0292 0.0000 0.0000 52236.1411 -109445.2976 300.2018 -161681.4386 -109074.9561 299.3479 -102.9427 -79.5346 763120.8949 6.1955 6.2955 PRESSURE: 1869000 -262.525 -44.0728 -43.8777 -44.0732 124.007 89.0475 -43.8777 89.0479 -322.44 GPRESSURE: 1869000 -251.931 -110.44 30.8647 -105.48 133.599 104.653 8.96802 49.6098 -268.212 PRESSAVG: 1869000 -14.4235 -33.7325 4.6552 -33.7325 -26.335 71.7684 4.65521 71.7683 13.3848 GPRESSAVG: 1869000 -13.8532 -33.9591 5.88122 -34.7663 -25.6815 71.8876 5.57711 73.6198 11.7053 TIMING: 1869000 CPU: 5909.13, 0.00315129/step Wall: 5909.13, 0.00315129/step, 2.74075 hours remaining, 235.085938 MB of memory in use. ENERGY: 1869000 4038.8152 20649.3803 14518.4500 240.2271 -203601.5957 2890.7938 0.0000 0.0000 51687.2310 -109576.6983 297.0472 -161263.9292 -109221.0844 299.0440 -153.6527 -128.8478 762382.2942 -9.1246 -9.2765 PRESSURE: 1869200 334.421 221.424 -146.274 221.424 -165.377 122.008 -146.274 122.009 235.139 GPRESSURE: 1869200 333.416 134.709 -122.977 206.478 -65.7954 73.0866 -192.473 154.044 226.175 PRESSAVG: 1869200 -16.2655 -44.2833 -11.542 -44.2833 -4.28191 18.6364 -11.542 18.6364 23.1312 GPRESSAVG: 1869200 -15.2167 -46.5181 -12.0601 -44.1306 -5.39445 18.6034 -13.3789 17.1235 23.3158 TIMING: 1869200 CPU: 5909.76, 0.00314482/step Wall: 5909.76, 0.00314482/step, 2.73495 hours remaining, 235.085938 MB of memory in use. ENERGY: 1869200 4044.9173 20499.4721 14373.1083 255.7861 -203683.8978 2900.7520 0.0000 0.0000 52041.7348 -109568.1272 299.0846 -161609.8620 -109196.6373 298.4962 134.7278 164.5986 762469.5115 0.8613 0.9016 PRESSURE: 1869400 14.9178 -69.8819 23.9882 -69.8823 -288.05 16.7695 23.9879 16.7705 399.042 GPRESSURE: 1869400 69.4858 -35.5048 23.7598 28.8412 -252.92 86.941 -64.0896 73.4012 377.091 PRESSAVG: 1869400 35.5916 -26.2768 -46.337 -26.2768 -67.516 15.9717 -46.337 15.9717 3.4088 GPRESSAVG: 1869400 33.838 -25.0304 -45.4667 -25.4704 -66.1399 15.3674 -47.999 15.1278 3.80602 TIMING: 1869400 CPU: 5910.39, 0.00316313/step Wall: 5910.39, 0.00316313/step, 2.75069 hours remaining, 235.085938 MB of memory in use. ENERGY: 1869400 3980.2621 20613.2212 14460.4477 252.3194 -203907.7252 3048.5545 0.0000 0.0000 51989.2742 -109563.6461 298.7831 -161552.9203 -109205.0847 298.9530 41.9697 64.5524 760905.3353 -9.5052 -9.4986 PRESSURE: 1869600 -129.732 -67.9973 -117.462 -67.9968 -22.7779 86.7471 -117.462 86.747 -195.702 GPRESSURE: 1869600 -201.192 -38.7531 -75.3641 -79.2774 69.8978 6.35933 -191.211 -72.3749 -104.513 PRESSAVG: 1869600 47.3714 -97.2854 4.32492 -97.2854 -14.2877 60.3654 4.32497 60.3655 -19.9917 GPRESSAVG: 1869600 48.2145 -97.8515 3.07337 -97.5929 -14.3797 59.1408 4.38049 62.0094 -20.6633 TIMING: 1869600 CPU: 5911.02, 0.00314458/step Wall: 5911.02, 0.00314458/step, 2.73438 hours remaining, 235.085938 MB of memory in use. ENERGY: 1869600 4028.4669 20574.0634 14526.0693 253.0014 -203973.5670 2951.3688 0.0000 0.0000 52074.1795 -109566.4178 299.2710 -161640.5973 -109195.4587 298.8399 -116.0705 -78.6024 762382.7110 4.3640 4.3905 PRESSURE: 1869800 251.761 -88.3474 -67.9913 -88.3471 -3.62189 6.17028 -67.9905 6.17039 343.298 GPRESSURE: 1869800 240.724 2.16954 -33.0286 -147.047 37.2414 110.394 -115.209 -0.23308 402.903 PRESSAVG: 1869800 -21.3686 -71.3494 13.5053 -71.3494 -29.0978 0.358802 13.5053 0.35887 12.017 GPRESSAVG: 1869800 -21.2009 -68.9159 14.1315 -71.1109 -30.0466 2.19097 15.3236 -0.651576 12.6832 TIMING: 1869800 CPU: 5911.65, 0.00315495/step Wall: 5911.65, 0.00315495/step, 2.74323 hours remaining, 235.085938 MB of memory in use. ENERGY: 1869800 4026.4084 20539.9400 14379.5637 249.1824 -203917.9324 3327.2478 0.0000 0.0000 52247.0551 -109148.5351 300.2645 -161395.5902 -108789.0297 299.0767 197.1460 226.9562 761838.3249 -12.8165 -12.8548 PRESSURE: 1870000 135.429 -274.887 -52.3395 -274.887 240.503 -175.575 -52.3394 -175.575 -71.4811 GPRESSURE: 1870000 187.704 -277.003 -37.6342 -239.502 280.151 -103.683 -127.689 -144.895 -81.5411 PRESSAVG: 1870000 32.2387 -32.9267 19.3913 -32.9267 -16.4049 -34.8656 19.3913 -34.8656 6.26797 GPRESSAVG: 1870000 30.6736 -36.2275 19.8319 -33.334 -15.0866 -35.5885 18.8719 -32.6009 6.68385 TIMING: 1870000 CPU: 5912.28, 0.00317645/step Wall: 5912.28, 0.00317645/step, 2.76175 hours remaining, 235.085938 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: 1870000 3951.6684 20561.7665 14419.5176 238.6510 -203101.6640 2699.9542 0.0000 0.0000 51957.4910 -109272.6152 298.6004 -161230.1062 -108914.9209 299.2840 101.4838 128.7714 762651.0959 7.3673 7.4236 PRESSURE: 1870200 -354.325 32.031 34.8785 32.031 -92.1329 186.58 34.878 186.581 -97.9838 GPRESSURE: 1870200 -274.082 -42.4081 21.9536 90.3142 -135.632 142.308 131.969 130.897 -37.0864 PRESSAVG: 1870200 50.0008 -29.8198 4.24234 -29.8198 -24.6571 -43.4527 4.24229 -43.4527 25.7755 GPRESSAVG: 1870200 50.6984 -30.3466 3.40025 -27.9014 -25.2896 -43.1413 5.84376 -44.1897 25.5216 TIMING: 1870200 CPU: 5912.92, 0.00318613/step Wall: 5912.92, 0.00318613/step, 2.76998 hours remaining, 235.085938 MB of memory in use. ENERGY: 1870200 4003.0312 20554.4772 14483.3911 254.0056 -203649.7275 2891.4318 0.0000 0.0000 52039.9932 -109423.3974 299.0746 -161463.3906 -109068.1993 298.7953 -181.4805 -148.9334 763533.5883 17.0397 16.9768 PRESSURE: 1870400 -124.035 105.257 3.23708 105.257 -201.274 -71.5724 3.23606 -71.572 98.4153 GPRESSURE: 1870400 -78.278 38.6082 -21.1332 59.7342 -196.68 -4.27117 -84.6736 -160.858 124.146 PRESSAVG: 1870400 68.4272 -51.1204 25.4857 -51.1205 -53.652 9.17264 25.4857 9.1726 19.5756 GPRESSAVG: 1870400 68.8889 -48.5819 25.1812 -51.3672 -52.7078 8.42837 24.1231 8.991 18.8222 TIMING: 1870400 CPU: 5913.55, 0.0031646/step Wall: 5913.55, 0.0031646/step, 2.75109 hours remaining, 235.085938 MB of memory in use. ENERGY: 1870400 3971.5804 20466.9780 14405.7000 263.5268 -203604.7176 2927.4051 0.0000 0.0000 51892.3563 -109677.1709 298.2261 -161569.5272 -109313.2464 298.3391 -75.6313 -50.2707 763606.3595 11.4503 11.6678 PRESSURE: 1870600 -31.952 136.964 37.8274 136.965 98.0221 4.3557 37.8264 4.35621 152.491 GPRESSURE: 1870600 -81.5015 109.791 29.8745 242.424 196.137 -4.80742 -44.2092 -69.3981 175.05 PRESSAVG: 1870600 -16.2254 10.5097 26.6898 10.5096 15.87 14.242 26.6898 14.2419 -3.14679 GPRESSAVG: 1870600 -17.1564 9.32756 27.7062 9.2726 15.5205 13.2706 26.2697 13.3555 -2.43307 TIMING: 1870600 CPU: 5914.18, 0.00313344/step Wall: 5914.18, 0.00313344/step, 2.72383 hours remaining, 235.085938 MB of memory in use. ENERGY: 1870600 3972.3435 20435.1413 14438.4645 242.7143 -203385.7952 2740.7129 0.0000 0.0000 51993.7825 -109562.6361 298.8090 -161556.4186 -109205.0253 297.8056 72.8537 96.5618 763937.3411 -1.1674 -1.3563 PRESSURE: 1870800 -200.998 -69.83 -72.3897 -69.8297 0.597624 -88.0478 -72.3899 -88.0467 -520.886 GPRESSURE: 1870800 -211.361 -12.81 -151.324 -111.509 -39.593 -61.5214 25.3464 24.8011 -391.951 PRESSAVG: 1870800 -52.2247 -97.0746 -20.858 -97.0746 20.4302 -48.1933 -20.8581 -48.1932 -15.6306 GPRESSAVG: 1870800 -50.512 -96.3353 -22.102 -98.1628 19.4564 -46.9503 -21.5712 -45.9196 -16.3072 TIMING: 1870800 CPU: 5914.81, 0.00317186/step Wall: 5914.81, 0.00317186/step, 2.75705 hours remaining, 235.085938 MB of memory in use. ENERGY: 1870800 4043.1497 20569.1275 14560.6630 240.3648 -203039.9528 2487.6687 0.0000 0.0000 51693.3640 -109445.6151 297.0825 -161138.9791 -109089.3298 298.3686 -240.4287 -214.3017 763342.1597 -15.8084 -15.7876 PRESSURE: 1871000 -506.289 -269.504 120.415 -269.505 -78.8791 -148.758 120.414 -148.759 -132.496 GPRESSURE: 1871000 -354.759 -48.8052 143.942 -316.563 -88.1436 -246.074 118.873 -155.56 -186.305 PRESSAVG: 1871000 -28.8376 -55.5821 3.56515 -55.582 32.4601 -77.442 3.56512 -77.442 15.9754 GPRESSAVG: 1871000 -29.583 -55.4087 4.04881 -57.1189 33.4567 -76.5925 4.61933 -80.4773 15.7344 TIMING: 1871000 CPU: 5915.44, 0.00314859/step Wall: 5915.44, 0.00314859/step, 2.73665 hours remaining, 235.085938 MB of memory in use. ENERGY: 1871000 3978.2297 20461.2309 14512.0787 240.8956 -203250.8342 2766.5472 0.0000 0.0000 51944.3828 -109347.4694 298.5251 -161291.8522 -108978.8404 298.7262 -239.2212 -209.7359 762389.0145 6.5326 6.5361 PRESSURE: 1871200 101.128 -46.0824 71.5882 -46.0825 134.622 -233.514 71.5885 -233.514 -12.9414 GPRESSURE: 1871200 139.82 55.7819 25.8415 -38.3961 255.657 -277.235 44.0788 -191.682 -105.057 PRESSAVG: 1871200 -68.7288 -75.8001 18.3243 -75.8001 27.4975 -54.4726 18.3243 -54.4726 12.1118 GPRESSAVG: 1871200 -67.2432 -75.0578 19.0204 -74.5748 25.6283 -55.483 17.4048 -51.7721 12.3965 TIMING: 1871200 CPU: 5916.07, 0.0031444/step Wall: 5916.07, 0.0031444/step, 2.73283 hours remaining, 235.085938 MB of memory in use. ENERGY: 1871200 3963.8902 20458.5846 14458.9497 235.1352 -203048.7457 2850.3318 0.0000 0.0000 51758.5113 -109323.3429 297.4569 -161081.8542 -108964.0195 298.6517 74.2696 96.8066 763758.6208 -9.7065 -9.7394 PRESSURE: 1871400 376.212 -68.5353 32.7539 -68.5356 -164.332 -34.9515 32.755 -34.9504 9.43933 GPRESSURE: 1871400 352.85 -0.586211 54.8933 -43.7941 -202.14 -74.9774 -140.044 -37.2697 125.679 PRESSAVG: 1871400 -29.1753 -47.08 -24.6468 -47.0801 63.9654 -25.9614 -24.6467 -25.9614 10.6441 GPRESSAVG: 1871400 -30.8794 -48.609 -23.4643 -46.6069 65.0161 -25.5725 -25.6233 -27.8962 11.5683 TIMING: 1871400 CPU: 5916.71, 0.00317137/step Wall: 5916.71, 0.00317137/step, 2.75609 hours remaining, 235.085938 MB of memory in use. ENERGY: 1871400 3935.9883 20682.0000 14581.8465 245.2836 -203311.9752 2632.3576 0.0000 0.0000 52040.1829 -109194.3164 299.0756 -161234.4992 -108839.5040 299.1323 73.7730 92.1298 762486.2401 15.1447 15.2350 PRESSURE: 1871600 -47.8361 170.964 100.985 170.963 -315.172 223.132 100.985 223.133 52.3842 GPRESSURE: 1871600 -67.5845 169.622 132.891 146.541 -178.791 229.295 117.392 270.387 29.2375 PRESSAVG: 1871600 38.7592 20.6407 -18.7654 20.6407 -30.4438 -9.4083 -18.7654 -9.40827 -17.908 GPRESSAVG: 1871600 38.5234 21.2351 -19.195 21.6415 -29.8118 -10.1455 -18.3685 -8.44103 -18.6095 TIMING: 1871600 CPU: 5917.34, 0.00317222/step Wall: 5917.34, 0.00317222/step, 2.75666 hours remaining, 235.085938 MB of memory in use. ENERGY: 1871600 4019.7666 20552.8665 14400.9365 260.1073 -203064.2486 2505.2789 0.0000 0.0000 52227.8415 -109097.4513 300.1541 -161325.2927 -108733.6957 299.2246 -103.5414 -72.3794 765478.9349 -3.1975 -3.2993 PRESSURE: 1871800 403.835 -90.1385 -186.504 -90.1387 211.971 -16.8574 -186.504 -16.8567 300.461 GPRESSURE: 1871800 525.837 -77.0547 -203.724 -141.455 212.58 39.9618 -257.32 -171.23 278.72 PRESSAVG: 1871800 4.49803 -6.7589 50.8742 -6.75889 -17.6303 -35.078 50.8743 -35.0781 -16.5019 GPRESSAVG: 1871800 4.10996 -5.84098 50.0745 -7.46052 -17.5219 -33.7263 52.6367 -36.2272 -15.8577 TIMING: 1871800 CPU: 5917.98, 0.00317077/step Wall: 5917.98, 0.00317077/step, 2.75523 hours remaining, 235.085938 MB of memory in use. ENERGY: 1871800 3927.2495 20429.7442 14445.4473 236.1134 -203458.6618 3001.4117 0.0000 0.0000 52344.6058 -109074.0899 300.8252 -161418.6957 -108697.0609 299.4015 305.4225 339.0455 763181.6258 -9.8780 -9.7565 PRESSURE: 1872000 37.9429 -226.371 35.8238 -226.372 -3.63533 -320.755 35.8242 -320.754 -410.98 GPRESSURE: 1872000 116.216 -165.659 -8.31681 -309.494 18.6368 -337.796 16.0991 -171.393 -429.645 PRESSAVG: 1872000 -19.7874 -49.1786 33.6637 -49.1786 22.983 -11.1058 33.6637 -11.1057 6.59056 GPRESSAVG: 1872000 -19.2003 -52.7747 33.1871 -48.6603 22.5652 -10.7615 33.8688 -11.3208 6.3481 TIMING: 1872000 CPU: 5918.61, 0.00318216/step Wall: 5918.61, 0.00318216/step, 2.76494 hours remaining, 235.074219 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: 1872000 4057.3642 20612.2764 14442.5769 249.3688 -203533.0139 2859.3500 0.0000 0.0000 52309.4382 -109002.6394 300.6231 -161312.0776 -108647.6606 299.8041 -125.5575 -98.2641 761984.0143 3.2621 3.2377 PRESSURE: 1872200 239.774 230.607 7.0417 230.607 70.6892 -1.71441 7.04157 -1.71384 -268.146 GPRESSURE: 1872200 280.325 188.5 9.26172 269.879 95.6869 -56.7397 -18.9835 17.7949 -279.935 PRESSAVG: 1872200 26.7297 -30.4809 25.4589 -30.481 17.3187 -22.0179 25.4589 -22.0179 44.5895 GPRESSAVG: 1872200 26.7612 -26.0433 26.2869 -30.9912 18.1112 -22.1715 25.0689 -22.0574 43.8538 TIMING: 1872200 CPU: 5919.25, 0.0031697/step Wall: 5919.25, 0.0031697/step, 2.75394 hours remaining, 235.074219 MB of memory in use. ENERGY: 1872200 4053.8359 20559.7915 14466.3325 265.0701 -203613.2423 2967.6300 0.0000 0.0000 52152.5843 -109147.9979 299.7216 -161300.5823 -108792.9540 299.5416 14.1059 32.0256 762997.0412 29.5460 29.5754 LDB: ============= START OF LOAD BALANCING ============== 5931.78 LDB: ============== END OF LOAD BALANCING =============== 5931.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5931.78 LDB: ============= START OF LOAD BALANCING ============== 5932.1 LDB: Largest compute 7049 load 0.030053 is 15.4% of average load 0.195508 LDB: Average compute 0.004370 is 2.2% of average load 0.195508 LDB: TIME 5932.1 LOAD: AVG 0.195508 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 5932.1 LOAD: AVG 0.195508 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: TIME 5932.1 LOAD: AVG 0.195508 MAX 0.215367 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: ============== END OF LOAD BALANCING =============== 5932.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5932.11 PRESSURE: 1872400 -160.765 -151.879 -46.4208 -151.878 -344.05 -82.1082 -46.4206 -82.1092 -208.292 GPRESSURE: 1872400 -115.611 -81.3563 -82.6962 -115.802 -310.884 22.1576 -141.541 52.4997 -191.01 PRESSAVG: 1872400 26.0101 -43.6489 9.1167 -43.6488 -4.14123 -31.3376 9.11676 -31.3377 14.1289 GPRESSAVG: 1872400 25.8914 -46.0024 9.97342 -42.1862 -5.08981 -31.7318 8.24902 -28.4826 15.0626 TIMING: 1872400 CPU: 5919.89, 0.00321932/step Wall: 5919.89, 0.00321932/step, 2.79687 hours remaining, 235.394531 MB of memory in use. ENERGY: 1872400 4057.6232 20431.4899 14437.2133 231.2959 -203242.5664 2645.3989 0.0000 0.0000 52165.6571 -109273.8881 299.7967 -161439.5453 -108912.8622 298.9755 -237.7024 -205.8350 762593.1743 11.9992 11.9547 PRESSURE: 1872600 68.3449 135.146 136.764 135.145 32.7214 -53.345 136.764 -53.3434 147.087 GPRESSURE: 1872600 64.2328 160.718 234.888 104.68 144.54 -64.9594 8.33429 -1.33252 115.501 PRESSAVG: 1872600 12.3229 -30.0594 17.9709 -30.0594 -16.6246 -11.3873 17.9708 -11.3874 3.9313 GPRESSAVG: 1872600 11.5046 -29.1434 17.3017 -31.4922 -14.6618 -11.6238 17.4524 -12.6297 3.20576 TIMING: 1872600 CPU: 5920.52, 0.00314492/step Wall: 5920.52, 0.00314492/step, 2.73206 hours remaining, 235.597656 MB of memory in use. ENERGY: 1872600 4005.1213 20424.9123 14417.8476 239.7349 -203188.0473 2937.2738 0.0000 0.0000 52128.5097 -109034.6476 299.5833 -161163.1573 -108665.3417 298.6205 82.7176 108.0913 762137.2756 -0.1235 0.0162 PRESSURE: 1872800 51.2457 -206.141 -3.69668 -206.142 345.92 -222.097 -3.69671 -222.098 101.181 GPRESSURE: 1872800 63.4501 -313.596 80.4288 -20.231 356.603 -295.746 -54.32 -214.381 171.243 PRESSAVG: 1872800 27.8601 -13.6709 -37.0407 -13.6709 10.3808 -60.7882 -37.0407 -60.7882 12.513 GPRESSAVG: 1872800 29.2207 -15.2995 -36.1817 -11.5607 8.80049 -61.5191 -39.0055 -60.5001 12.698 TIMING: 1872800 CPU: 5921.15, 0.00316001/step Wall: 5921.15, 0.00316001/step, 2.74499 hours remaining, 235.800781 MB of memory in use. ENERGY: 1872800 3906.1372 20515.6174 14440.9184 248.6101 -203066.9612 2813.1803 0.0000 0.0000 52102.1589 -109040.3389 299.4318 -161142.4978 -108679.9201 299.4381 166.1158 197.0986 762632.0861 16.9180 16.9064 PRESSURE: 1873000 -237.117 -89.8532 -205.067 -89.8534 -262.25 -88.7128 -205.067 -88.7134 -122.877 GPRESSURE: 1873000 -158.292 -85.35 -115.477 -106.105 -297.759 -90.2971 -180.038 -115.988 -92.3714 PRESSAVG: 1873000 -17.8692 -11.5289 -19.3041 -11.529 -29.7182 -74.4533 -19.3041 -74.4533 4.44569 GPRESSAVG: 1873000 -18.2191 -9.03311 -19.1613 -15.2458 -30.0718 -72.8188 -16.9438 -73.788 4.59448 TIMING: 1873000 CPU: 5921.79, 0.00317538/step Wall: 5921.79, 0.00317538/step, 2.75817 hours remaining, 235.800781 MB of memory in use. ENERGY: 1873000 3980.8275 20581.4484 14412.8956 236.5476 -203056.4197 2550.9530 0.0000 0.0000 52093.8770 -109199.8705 299.3842 -161293.7475 -108840.1245 299.3426 -207.4150 -182.8073 764281.4063 -14.3806 -14.5655 PRESSURE: 1873200 92.4823 -7.73892 55.2992 -7.73952 125.462 -118.68 55.3 -118.68 455.796 GPRESSURE: 1873200 166.527 69.9257 84.9522 -133.056 174.288 -111.252 41.7733 -62.062 397.103 PRESSAVG: 1873200 17.5545 -10.688 1.09768 -10.688 -7.18506 -16.1436 1.09773 -16.1435 5.2765 GPRESSAVG: 1873200 18.0705 -14.0059 -0.248604 -9.41045 -6.65311 -17.2228 1.40834 -16.9799 4.43035 TIMING: 1873200 CPU: 5922.41, 0.00313677/step Wall: 5922.41, 0.00313677/step, 2.72446 hours remaining, 235.800781 MB of memory in use. ENERGY: 1873200 3992.0306 20556.2198 14396.3386 232.3607 -203449.9946 3120.1350 0.0000 0.0000 51999.0105 -109153.8993 298.8390 -161152.9098 -108801.4987 299.4043 224.5803 245.9727 762880.1450 5.2153 5.2826 PRESSURE: 1873400 164.005 11.6371 3.84832 11.6374 -181.633 129.92 3.84891 129.92 -210.149 GPRESSURE: 1873400 177.359 15.1821 6.47671 6.08394 -170.672 171.789 -78.1537 68.3581 -150.757 PRESSAVG: 1873400 -31.5705 -47.7207 7.95025 -47.7206 26.7834 -30.872 7.95022 -30.872 14.1121 GPRESSAVG: 1873400 -32.2631 -46.6878 7.29542 -45.4806 26.4268 -30.9819 6.84562 -30.1658 15.0587 TIMING: 1873400 CPU: 5923.05, 0.00316793/step Wall: 5923.05, 0.00316793/step, 2.75135 hours remaining, 235.800781 MB of memory in use. ENERGY: 1873400 4002.3465 20492.5559 14439.4591 265.6281 -203060.3709 2840.8439 0.0000 0.0000 51854.9650 -109164.5723 298.0112 -161019.5373 -108812.9034 299.7685 -75.9254 -48.0233 764398.0725 3.1083 3.0741 PRESSURE: 1873600 -8.7846 229.525 167.771 229.526 100.057 -14.3176 167.771 -14.317 37.1345 GPRESSURE: 1873600 -54.7362 233.342 188.969 275.554 231.111 34.3949 135.16 14.2121 22.0836 PRESSAVG: 1873600 17.0381 -69.242 10.2959 -69.242 -30.2939 -51.6248 10.2959 -51.6248 -1.33649 GPRESSAVG: 1873600 16.1162 -69.3651 10.433 -71.2355 -29.7069 -48.5256 11.4953 -55.4883 -1.59698 TIMING: 1873600 CPU: 5923.68, 0.00315453/step Wall: 5923.68, 0.00315453/step, 2.73953 hours remaining, 235.800781 MB of memory in use. ENERGY: 1873600 4000.9269 20500.2862 14420.2201 249.3488 -203129.7611 2661.8001 0.0000 0.0000 52152.6474 -109144.5316 299.7220 -161297.1791 -108777.7551 299.7452 42.8023 66.1529 763335.6269 -4.8641 -5.0625 PRESSURE: 1873800 -360.204 -110.089 -219.315 -110.089 -411.472 -107.665 -219.316 -107.665 14.221 GPRESSURE: 1873800 -360.082 -41.797 -175.57 -108.668 -347.689 -77.6158 -137.614 -58.8961 37.0335 PRESSAVG: 1873800 4.4896 -20.3901 -10.0862 -20.3901 -11.771 -17.8647 -10.0862 -17.8647 17.4321 GPRESSAVG: 1873800 5.45006 -21.212 -8.45697 -17.4303 -13.1001 -19.0238 -11.227 -14.4827 18.0144 TIMING: 1873800 CPU: 5924.31, 0.00315328/step Wall: 5924.31, 0.00315328/step, 2.73827 hours remaining, 235.800781 MB of memory in use. ENERGY: 1873800 3963.3325 20479.9229 14422.2306 262.8424 -203469.2385 2783.4725 0.0000 0.0000 52293.8462 -109263.5915 300.5335 -161557.4376 -108905.7185 299.5301 -252.4851 -223.5790 762007.9841 3.3835 3.4548 PRESSURE: 1874000 200.567 84.2353 71.4868 84.2363 120.859 190.262 71.4859 190.262 139.7 GPRESSURE: 1874000 286.141 31.6796 33.0556 -123.471 151.433 126.933 116.478 118.026 125.766 PRESSAVG: 1874000 52.5893 -49.3043 -9.51347 -49.3043 -43.3321 -61.2266 -9.51338 -61.2265 4.02842 GPRESSAVG: 1874000 52.7383 -49.0548 -10.6933 -53.0114 -43.2257 -62.1188 -8.04879 -62.5089 3.68852 TIMING: 1874000 CPU: 5924.94, 0.00316733/step Wall: 5924.94, 0.00316733/step, 2.7503 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: 1874000 4061.6914 20454.0659 14443.7508 237.4158 -203394.7177 2952.1182 0.0000 0.0000 52174.7975 -109070.8781 299.8493 -161245.6756 -108707.5097 299.6322 153.7086 187.7798 763012.9420 4.4285 4.4004 PRESSURE: 1874200 -30.633 -88.3219 167.954 -88.3224 -185.236 303.463 167.954 303.463 -112.591 GPRESSURE: 1874200 -88.9306 -66.9801 175.258 -55.7292 -61.9008 322.748 155.914 267.078 -118.236 PRESSAVG: 1874200 -4.62563 -18.3424 -13.8916 -18.3425 36.4713 48.5576 -13.8917 48.5575 3.27619 GPRESSAVG: 1874200 -4.30539 -17.5679 -14.1047 -18.2791 36.9059 47.5225 -14.8909 48.4074 2.89216 TIMING: 1874200 CPU: 5925.57, 0.00315504/step Wall: 5925.57, 0.00315504/step, 2.73945 hours remaining, 235.800781 MB of memory in use. ENERGY: 1874200 4015.6332 20523.4957 14424.8029 235.3042 -202993.6399 2718.5271 0.0000 0.0000 52188.9110 -108886.9659 299.9304 -161075.8769 -108523.9076 299.7823 -109.4865 -89.6890 763919.4889 11.7073 11.8309 PRESSURE: 1874400 294.902 -153.854 -130.844 -153.854 100.306 -222.98 -130.844 -222.98 -168.641 GPRESSURE: 1874400 315.32 -165.932 -133.255 -124.282 166.32 -184.83 -38.2406 -155.307 -171.951 PRESSAVG: 1874400 -31.5502 -18.9152 32.7923 -18.9152 15.2871 -25.5449 32.7922 -25.545 -16.8867 GPRESSAVG: 1874400 -31.5895 -20.8772 32.4165 -18.4535 14.8776 -23.4981 32.0987 -25.8271 -16.6403 TIMING: 1874400 CPU: 5926.21, 0.00316099/step Wall: 5926.21, 0.00316099/step, 2.74444 hours remaining, 235.800781 MB of memory in use. ENERGY: 1874400 4039.7030 20623.4347 14447.8444 238.9169 -202889.7053 2617.8058 0.0000 0.0000 52064.1359 -108857.8645 299.2133 -160922.0004 -108489.9231 300.1585 75.5222 103.2294 762819.3690 -11.0500 -11.1174 PRESSURE: 1874600 -54.526 25.0038 -21.4379 25.004 23.9958 -82.0142 -21.4386 -82.0152 -195.403 GPRESSURE: 1874600 70.983 -65.5893 -11.7987 -13.1724 117.207 -90.2351 -13.661 -21.5886 -312.085 PRESSAVG: 1874600 24.2939 -38.1686 -18.5236 -38.1686 -3.56237 -37.1047 -18.5236 -37.1046 -7.48289 GPRESSAVG: 1874600 25.2693 -36.609 -18.5244 -35.9175 -3.65706 -38.0418 -17.054 -35.062 -8.38706 TIMING: 1874600 CPU: 5926.84, 0.00314703/step Wall: 5926.84, 0.00314703/step, 2.73215 hours remaining, 235.800781 MB of memory in use. ENERGY: 1874600 4076.5774 20752.5280 14451.6152 256.0741 -203457.6016 3032.6862 0.0000 0.0000 52238.7259 -108649.3946 300.2167 -160888.1206 -108301.4961 300.3722 -75.3111 -41.2985 762266.0855 4.4162 4.4084 PRESSURE: 1874800 -154.546 -8.66484 -173.816 -8.6648 109.681 -92.8494 -173.815 -92.8484 13.497 GPRESSURE: 1874800 -74.451 -25.8414 -197.797 -36.1607 107.504 -38.1023 -167.04 -81.2365 30.2471 PRESSAVG: 1874800 -20.6339 33.7122 -32.2925 33.7122 31.0275 -38.8642 -32.2925 -38.8643 10.8707 GPRESSAVG: 1874800 -20.8824 31.6763 -32.2264 32.9504 30.5925 -39.5874 -33.4208 -39.7256 11.3191 TIMING: 1874800 CPU: 5927.47, 0.00315462/step Wall: 5927.47, 0.00315462/step, 2.73856 hours remaining, 235.800781 MB of memory in use. ENERGY: 1874800 4045.7717 20582.4515 14468.9157 260.9746 -203130.2835 2618.0095 0.0000 0.0000 52176.7148 -108977.4457 299.8603 -161154.1605 -108617.5811 300.2009 -10.4562 21.1000 762868.3190 7.0881 7.0097 PRESSURE: 1875000 244.652 289.479 7.68643 289.48 323.703 6.87772 7.68614 6.87866 178.735 GPRESSURE: 1875000 370.597 267.461 -125.249 295.139 326.715 -10.1702 88.9479 -58.4495 135.384 PRESSAVG: 1875000 -67.6281 13.6377 -23.1866 13.6378 59.1295 27.9497 -23.1867 27.9496 18.2841 GPRESSAVG: 1875000 -67.9443 14.1722 -21.423 12.0455 58.1407 27.4182 -22.001 26.8208 19.9771 TIMING: 1875000 CPU: 5928.09, 0.0031424/step Wall: 5928.09, 0.0031424/step, 2.72778 hours remaining, 235.800781 MB of memory in use. ENERGY: 1875000 3956.0926 20574.5317 14505.1205 261.2911 -203267.9771 2827.4763 0.0000 0.0000 51747.8806 -109395.5844 297.3958 -161143.4650 -109029.8133 299.6277 249.0298 277.5654 761743.1845 3.2618 3.3912 PRESSURE: 1875200 -104.995 6.09752 -201.088 6.09786 269.009 -82.0169 -201.088 -82.0196 30.1141 GPRESSURE: 1875200 -41.9911 -14.9551 -196.43 -79.5605 266.179 -66.9863 -173.996 -121.142 39.625 PRESSAVG: 1875200 -76.4677 73.2855 -44.1755 73.2855 68.4435 30.7543 -44.1754 30.7542 39.5041 GPRESSAVG: 1875200 -76.2381 75.977 -46.3968 72.1716 69.1858 31.9687 -44.3602 31.84 38.1221 TIMING: 1875200 CPU: 5928.72, 0.00313348/step Wall: 5928.72, 0.00313348/step, 2.71986 hours remaining, 235.800781 MB of memory in use. ENERGY: 1875200 4018.2570 20500.0934 14438.0436 269.9011 -203511.5443 2864.2173 0.0000 0.0000 52152.4850 -109268.5470 299.7210 -161421.0320 -108908.0829 299.2555 64.7095 87.9375 763694.1765 10.4933 10.3566 PRESSURE: 1875400 -85.8423 -116.903 -79.9129 -116.903 207.649 -62.19 -79.9126 -62.1887 -11.97 GPRESSURE: 1875400 -19.0441 -137.459 -99.2463 -36.7169 137.978 -53.9541 -75.4401 -31.9318 75.0593 PRESSAVG: 1875400 -22.3824 36.4495 -32.5758 36.4495 13.8225 -45.9665 -32.5758 -45.9665 -3.13553 GPRESSAVG: 1875400 -21.9826 35.4606 -32.8393 38.317 13.4747 -45.0552 -31.0136 -47.5351 -2.44615 TIMING: 1875400 CPU: 5929.35, 0.00313196/step Wall: 5929.35, 0.00313196/step, 2.71836 hours remaining, 235.800781 MB of memory in use. ENERGY: 1875400 4025.8094 20576.3219 14474.5386 237.1620 -203559.8164 2781.5471 0.0000 0.0000 52070.4465 -109393.9909 299.2496 -161464.4374 -109027.2224 299.3951 36.6123 64.6643 761705.0689 -3.8985 -3.6514 PRESSURE: 1875600 33.8353 -51.2764 -261.189 -51.277 -502.591 -75.0597 -261.19 -75.0596 -467.805 GPRESSURE: 1875600 -58.7867 -114.468 -173.51 -43.1237 -325.885 -97.3543 -234.434 -13.4744 -482.799 PRESSAVG: 1875600 -39.7256 22.9035 -36.5179 22.9035 69.0006 -30.1841 -36.518 -30.1841 -1.64409 GPRESSAVG: 1875600 -40.228 22.1506 -34.5018 23.4323 69.8349 -31.7691 -37.4415 -28.5774 -2.27799 TIMING: 1875600 CPU: 5929.98, 0.00316668/step Wall: 5929.98, 0.00316668/step, 2.74833 hours remaining, 235.800781 MB of memory in use. ENERGY: 1875600 3998.4571 20628.6559 14461.6082 227.3289 -203449.3144 2441.9150 0.0000 0.0000 52250.3453 -109441.0040 300.2835 -161691.3493 -109081.2331 299.5183 -312.1868 -289.1568 761392.1533 9.2103 9.1097 PRESSURE: 1875800 -179.511 71.4974 140.483 71.4987 -66.6612 -104.826 140.484 -104.827 -24.251 GPRESSURE: 1875800 -224.38 57.3675 215.59 0.297787 43.7005 -145.84 176.958 -120.287 -26.8532 PRESSAVG: 1875800 -12.7001 -23.0976 17.0058 -23.0977 -7.01051 27.1331 17.0058 27.1332 13.9738 GPRESSAVG: 1875800 -12.7369 -21.2245 16.3617 -23.7267 -6.4739 25.5765 15.5218 28.9779 13.3655 TIMING: 1875800 CPU: 5930.61, 0.00313734/step Wall: 5930.61, 0.00313734/step, 2.72269 hours remaining, 235.800781 MB of memory in use. ENERGY: 1875800 4091.7335 20565.4817 14481.7651 281.7585 -203431.5562 2476.2711 0.0000 0.0000 52139.3243 -109395.2219 299.6454 -161534.5462 -109029.8522 299.2216 -90.1412 -69.1776 761063.0853 -1.9123 -1.9484 PRESSURE: 1876000 77.0515 15.4829 -104.897 15.4831 183.313 -269.558 -104.897 -269.559 -152.198 GPRESSURE: 1876000 89.4768 -8.97274 -112.09 89.4592 215.408 -178.045 -150.464 -273.621 -119.773 PRESSAVG: 1876000 17.6404 36.8188 -61.1953 36.8188 3.05481 -4.95387 -61.1953 -4.95387 -22.5073 GPRESSAVG: 1876000 18.0872 34.9775 -61.6664 37.6863 2.04154 -3.27151 -61.3411 -7.81773 -22.2602 TIMING: 1876000 CPU: 5931.24, 0.00315152/step Wall: 5931.24, 0.00315152/step, 2.73482 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: 1876000 3992.4923 20564.4299 14369.9363 240.7030 -203278.0270 2789.6838 0.0000 0.0000 51984.1704 -109336.6113 298.7537 -161320.7817 -108980.5552 298.9270 36.0558 61.7041 762564.0941 -0.6040 -0.7105 PRESSURE: 1876200 137.167 89.1334 22.0178 89.1346 1.81306 -71.7473 22.017 -71.7477 102.307 GPRESSURE: 1876200 237.158 84.4577 45.7699 160.635 -31.7357 -38.286 7.54898 -9.42652 116.741 PRESSAVG: 1876200 33.5055 33.4441 -25.9428 33.4441 -31.3489 -17.2083 -25.9429 -17.2083 5.32155 GPRESSAVG: 1876200 33.2359 32.9758 -26.1495 34.2018 -31.6181 -17.7819 -24.0369 -15.7955 5.67971 TIMING: 1876200 CPU: 5931.87, 0.00313803/step Wall: 5931.87, 0.00313803/step, 2.72294 hours remaining, 235.800781 MB of memory in use. ENERGY: 1876200 3991.9942 20442.7624 14576.2414 241.5919 -203492.8583 2874.2802 0.0000 0.0000 52225.3086 -109140.6795 300.1396 -161365.9881 -108777.2404 299.3007 80.4289 107.3878 762492.3624 2.4927 2.4325 LDB: ============= START OF LOAD BALANCING ============== 5944.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5944.4 LDB: =============== DONE WITH MIGRATION ================ 5944.4 LDB: ============= START OF LOAD BALANCING ============== 5944.71 LDB: Largest compute 7053 load 0.030491 is 15.6% of average load 0.195541 LDB: Average compute 0.004376 is 2.2% of average load 0.195541 LDB: TIME 5944.72 LOAD: AVG 0.195541 MAX 0.214703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 5944.72 LOAD: AVG 0.195541 MAX 0.214703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 5944.72 LOAD: AVG 0.195541 MAX 0.214703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 5944.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5944.72 PRESSURE: 1876400 202.746 109.586 142.945 109.585 -255.318 80.4075 142.945 80.408 75.3015 GPRESSURE: 1876400 160.993 107.241 42.7179 205.672 -172.719 75.6289 96.3794 -120.477 122.203 PRESSAVG: 1876400 14.2372 18.7308 -28.6522 18.7307 2.7075 -35.9749 -28.6522 -35.9748 -0.172257 GPRESSAVG: 1876400 13.0023 17.9851 -29.3753 19.1458 3.06207 -35.18 -29.3261 -38.8098 0.20063 TIMING: 1876400 CPU: 5932.51, 0.00320883/step Wall: 5932.51, 0.00320883/step, 2.7842 hours remaining, 236.031250 MB of memory in use. ENERGY: 1876400 3980.0293 20298.9021 14431.1204 253.4413 -203743.5394 2904.5759 0.0000 0.0000 52175.9631 -109699.5074 299.8560 -161875.4706 -109338.4939 298.8440 7.5766 36.8257 762647.2386 5.5908 5.4217 PRESSURE: 1876600 -281.506 -29.141 -50.283 -29.1412 -23.005 -26.923 -50.2827 -26.9228 -143.653 GPRESSURE: 1876600 -208.189 -6.93063 -24.7611 -147.121 -40.7065 111.161 -106.093 -102.927 -112.236 PRESSAVG: 1876600 -26.8293 -19.4227 -34.9435 -19.4227 -5.47552 -33.167 -34.9435 -33.167 -1.30626 GPRESSAVG: 1876600 -25.0398 -17.6225 -35.6422 -19.734 -7.18717 -34.5357 -33.7329 -31.5316 -1.87545 TIMING: 1876600 CPU: 5933.14, 0.00314831/step Wall: 5933.14, 0.00314831/step, 2.73151 hours remaining, 236.234375 MB of memory in use. ENERGY: 1876600 3919.4074 20463.7669 14494.5746 254.8449 -203552.4449 2605.1144 0.0000 0.0000 52154.1113 -109660.6254 299.7304 -161814.7367 -109300.3755 298.7092 -149.3881 -120.3770 763415.6802 -11.2037 -11.3675 PRESSURE: 1876800 -106.656 265.816 -84.9679 265.816 -131.232 -75.4415 -84.9674 -75.4423 -66.5065 GPRESSURE: 1876800 -47.4173 88.3701 -23.0142 207.418 -138.327 -77.7277 -140.041 -159.186 -40.6513 PRESSAVG: 1876800 -24.0565 -8.88186 -14.7846 -8.88181 17.59 1.01599 -14.7847 1.01603 2.8901 GPRESSAVG: 1876800 -24.4881 -9.52918 -13.8822 -9.46535 17.8285 1.59159 -15.4598 0.666483 2.88767 TIMING: 1876800 CPU: 5933.77, 0.00315027/step Wall: 5933.77, 0.00315027/step, 2.73304 hours remaining, 236.234375 MB of memory in use. ENERGY: 1876800 3976.1173 20516.8398 14394.9328 247.2502 -203212.3610 2387.4877 0.0000 0.0000 52015.0351 -109674.6980 298.9311 -161689.7332 -109310.3667 298.3024 -101.4647 -75.4650 763201.4621 -1.1921 -1.2573 PRESSURE: 1877000 -34.3017 281.853 273.32 281.853 -137.737 53.3543 273.32 53.3539 -39.1313 GPRESSURE: 1877000 -23.1571 268.776 224.871 164.812 -28.4975 -10.0084 164.736 -1.18094 -72.6242 PRESSAVG: 1877000 -15.1907 19.6657 -50.8271 19.6657 -13.2503 16.8982 -50.8271 16.8981 7.26111 GPRESSAVG: 1877000 -14.6993 18.3749 -50.1636 20.2736 -12.7131 17.3023 -53.4229 15.0159 6.38356 TIMING: 1877000 CPU: 5934.4, 0.00315698/step Wall: 5934.4, 0.00315698/step, 2.73868 hours remaining, 236.234375 MB of memory in use. ENERGY: 1877000 3982.3146 20677.3869 14414.1767 236.8975 -203691.8085 2888.5551 0.0000 0.0000 51657.2346 -109835.2431 296.8748 -161492.4777 -109483.2417 298.0655 -70.3899 -41.4263 763775.5419 -7.0599 -7.0096 PRESSURE: 1877200 -10.513 -106.841 19.7856 -106.84 -37.4061 44.13 19.7855 44.1303 -423.556 GPRESSURE: 1877200 10.9793 25.6282 -115.024 -42.7386 30.9562 80.8163 64.9304 143.491 -427.733 PRESSAVG: 1877200 -26.0183 -31.1291 -3.38693 -31.1291 45.9179 -30.9094 -3.38694 -30.9095 8.4327 GPRESSAVG: 1877200 -26.6247 -29.1968 -2.80509 -30.167 45.4168 -30.1821 -1.97411 -30.1144 9.95676 TIMING: 1877200 CPU: 5935.03, 0.00313723/step Wall: 5935.03, 0.00313723/step, 2.72137 hours remaining, 236.234375 MB of memory in use. ENERGY: 1877200 4023.7815 20503.6633 14384.2767 237.9682 -204271.0168 3038.9582 0.0000 0.0000 52029.9446 -110052.4243 299.0168 -162082.3689 -109688.6535 298.0454 -157.1584 -128.5992 761377.8766 9.4441 9.5830 PRESSURE: 1877400 -4.6348 -65.0432 -26.9101 -65.0431 -303.005 -46.4367 -26.91 -46.4378 -206.824 GPRESSURE: 1877400 -24.5771 -146.074 -31.6316 -47.0956 -235.388 -91.3993 -41.2394 34.2491 -173.617 PRESSAVG: 1877400 2.47567 -20.8223 -21.496 -20.8223 -5.3325 22.8121 -21.496 22.8121 3.98044 GPRESSAVG: 1877400 2.00207 -20.1738 -21.7344 -22.7061 -4.47916 23.7617 -21.087 23.3392 3.7961 TIMING: 1877400 CPU: 5935.66, 0.00317092/step Wall: 5935.66, 0.00317092/step, 2.75042 hours remaining, 236.234375 MB of memory in use. ENERGY: 1877400 3959.8984 20464.2152 14422.9797 257.6206 -203588.6892 2736.7038 0.0000 0.0000 51598.9953 -110148.2762 296.5401 -161747.2715 -109786.7886 297.4750 -171.4881 -144.5275 763264.9974 0.3745 0.4397 PRESSURE: 1877600 115.501 -35.5755 -147.411 -35.576 -205.945 50.5556 -147.412 50.5555 20.5608 GPRESSURE: 1877600 226.611 100.86 -111.399 -72.7815 -137.065 131.093 -68.5469 -3.21064 -47.3062 PRESSAVG: 1877600 -51.4048 38.0593 -43.9755 38.0593 31.7599 32.3999 -43.9755 32.3999 -0.304265 GPRESSAVG: 1877600 -50.2839 36.3469 -44.885 39.4869 30.4726 32.2547 -44.2952 32.8512 -0.424678 TIMING: 1877600 CPU: 5936.29, 0.00313647/step Wall: 5936.29, 0.00313647/step, 2.72036 hours remaining, 236.234375 MB of memory in use. ENERGY: 1877600 3995.3596 20412.0047 14443.5803 245.6411 -203501.8834 2637.8018 0.0000 0.0000 51797.4601 -109970.0360 297.6807 -161767.4961 -109609.7477 297.4154 -23.2943 14.0802 760729.1562 -6.6497 -6.7453 PRESSURE: 1877800 -384.517 176.59 -44.721 176.589 235.87 -70.6672 -44.7221 -70.667 -132.51 GPRESSURE: 1877800 -329.466 166.017 -133.098 119.745 206.533 -31.4697 -101.147 -62.8327 -73.4234 PRESSAVG: 1877800 -59.2852 -5.461 -39.7564 -5.46104 17.958 -24.1195 -39.7563 -24.1195 -14.5006 GPRESSAVG: 1877800 -60.4999 -4.78721 -37.444 -6.06664 19.1932 -26.2978 -40.9615 -23.814 -14.9294 TIMING: 1877800 CPU: 5936.92, 0.0031354/step Wall: 5936.92, 0.0031354/step, 2.71927 hours remaining, 236.234375 MB of memory in use. ENERGY: 1877800 3948.7409 20413.9894 14488.3141 241.9620 -203373.5645 2589.0878 0.0000 0.0000 51785.7469 -109905.7233 297.6134 -161691.4702 -109541.4784 297.8056 -93.7190 -65.4523 761708.7255 -18.6093 -18.7454 PRESSURE: 1878000 -412.787 25.952 3.44086 25.9513 -141.712 19.9774 3.44173 19.9751 -426.987 GPRESSURE: 1878000 -377.435 -13.7444 3.67802 -39.1751 -93.2725 -85.8019 31.7129 85.091 -445.008 PRESSAVG: 1878000 -4.55375 16.0813 -16.0645 16.0813 34.1885 -33.7823 -16.0644 -33.7822 26.4151 GPRESSAVG: 1878000 -4.70731 16.0497 -18.0757 15.6786 32.5644 -32.5262 -14.9215 -33.0742 27.5759 TIMING: 1878000 CPU: 5937.55, 0.00314808/step Wall: 5937.55, 0.00314808/step, 2.73009 hours remaining, 236.234375 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: 1878000 3999.2705 20499.8673 14468.9437 236.3675 -203798.6198 2735.9037 0.0000 0.0000 51645.0359 -110213.2311 296.8047 -161858.2670 -109853.2246 297.1435 -327.1620 -305.2384 761055.8646 18.6833 18.4777 PRESSURE: 1878200 -222.787 -75.7735 139.989 -75.7736 26.3482 -204.825 139.989 -204.824 133.289 GPRESSURE: 1878200 -165.388 -100.335 136.905 -73.5358 20.7679 -242.606 -9.32665 -174.715 161.804 PRESSAVG: 1878200 -4.83504 -16.8701 19.0926 -16.87 -19.9055 -40.7655 19.0927 -40.7655 16.1582 GPRESSAVG: 1878200 -3.46017 -18.6004 18.163 -16.94 -20.1753 -40.8542 18.9122 -41.5766 15.2256 TIMING: 1878200 CPU: 5938.17, 0.00312448/step Wall: 5938.17, 0.00312448/step, 2.70945 hours remaining, 236.234375 MB of memory in use. ENERGY: 1878200 3982.4296 20481.2884 14313.3379 247.8842 -203462.0534 2809.7800 0.0000 0.0000 51637.9685 -109989.3648 296.7641 -161627.3333 -109629.4912 297.0918 -21.0499 5.7280 762619.4790 -2.8608 -2.8033 PRESSURE: 1878400 -92.7987 -81.9711 -163.737 -81.9719 134.875 -30.6561 -163.736 -30.6554 287.818 GPRESSURE: 1878400 -53.6001 -143.219 -102.969 -96.3521 158.87 -57.9062 -174.405 -18.0422 313.933 PRESSAVG: 1878400 13.5745 -45.0644 -32.3029 -45.0645 -15.0239 -28.4869 -32.3029 -28.4869 -2.38341 GPRESSAVG: 1878400 10.8227 -44.8543 -30.3544 -43.2861 -13.7057 -28.7431 -31.8693 -26.4277 -0.780071 TIMING: 1878400 CPU: 5938.8, 0.00313606/step Wall: 5938.8, 0.00313606/step, 2.71931 hours remaining, 236.234375 MB of memory in use. ENERGY: 1878400 4020.3157 20257.4903 14512.5710 245.0935 -203453.6828 2743.8472 0.0000 0.0000 51741.2024 -109933.1628 297.3574 -161674.3652 -109575.0813 297.7057 109.9649 139.7341 761196.1016 -1.2776 -1.2210 PRESSURE: 1878600 -334.508 -129.772 244.974 -129.772 -257.797 145.879 244.973 145.878 -1.80977 GPRESSURE: 1878600 -241.418 -43.6434 293.698 -40.6644 -194.059 160.327 140.02 182.722 -60.2847 PRESSAVG: 1878600 22.1109 -1.67504 69.367 -1.67508 -5.35806 1.5776 69.367 1.57755 2.42261 GPRESSAVG: 1878600 23.4008 0.902515 70.5047 -1.20506 -5.41535 0.467554 66.9467 -0.150718 1.22242 TIMING: 1878600 CPU: 5939.42, 0.00312854/step Wall: 5939.42, 0.00312854/step, 2.71262 hours remaining, 236.234375 MB of memory in use. ENERGY: 1878600 4004.3678 20521.8754 14488.9458 256.1822 -203311.4837 2431.5028 0.0000 0.0000 51836.1212 -109772.4886 297.9029 -161608.6098 -109410.3067 298.6421 -198.0381 -165.2538 761263.5706 6.3918 6.4026 PRESSURE: 1878800 -103.694 -77.6038 91.5159 -77.6039 -209.357 -179.821 91.516 -179.821 -197.83 GPRESSURE: 1878800 -62.2252 -163.605 135.019 -142.847 -129.269 -87.1962 -38.6421 -91.1396 -241.103 PRESSAVG: 1878800 32.3467 47.2402 -4.26296 47.2403 10.1277 65.7774 -4.26302 65.7774 12.9739 GPRESSAVG: 1878800 33.9453 46.5931 -4.81542 45.0126 9.4282 67.1241 -3.22235 66.3438 12.735 TIMING: 1878800 CPU: 5940.05, 0.00313677/step Wall: 5940.05, 0.00313677/step, 2.71958 hours remaining, 236.234375 MB of memory in use. ENERGY: 1878800 4094.4817 20591.9715 14463.3660 247.6236 -203679.3400 2654.4868 0.0000 0.0000 52000.3002 -109627.1102 298.8464 -161627.4104 -109279.3563 298.6105 -170.2935 -144.1992 760472.9393 18.4827 18.7028 PRESSURE: 1879000 57.6601 -120.178 -99.9814 -120.18 147.504 40.3859 -99.9824 40.3858 296.352 GPRESSURE: 1879000 99.3437 -99.8657 -128.378 -44.086 140.672 46.9602 -151.097 28.7033 324.803 PRESSAVG: 1879000 -24.4978 3.19149 -0.457772 3.19148 5.67308 41.8699 -0.45782 41.8699 1.48454 GPRESSAVG: 1879000 -25.5402 2.13987 -1.5069 6.16269 6.46622 43.4978 0.916195 40.2273 1.58293 TIMING: 1879000 CPU: 5940.68, 0.0031609/step Wall: 5940.68, 0.0031609/step, 2.74033 hours remaining, 236.234375 MB of memory in use. ENERGY: 1879000 3929.0550 20662.9731 14436.4222 247.6061 -204083.8040 3054.6216 0.0000 0.0000 52146.1753 -109606.9508 299.6848 -161753.1261 -109262.4149 298.7473 167.1722 188.2731 761440.1893 -5.7801 -5.8304 PRESSURE: 1879200 31.6392 62.6829 37.4545 62.6829 156.851 -57.2315 37.4548 -57.2317 427.175 GPRESSURE: 1879200 114.449 115.52 -99.0861 54.7465 191 -87.2994 107.72 17.6235 404.55 PRESSAVG: 1879200 49.0339 -20.3238 8.75707 -20.3238 14.6677 47.5805 8.75704 47.5805 -18.3637 GPRESSAVG: 1879200 47.9902 -18.7891 9.75996 -22.363 15.0338 46.8622 8.91775 48.4478 -17.712 TIMING: 1879200 CPU: 5941.31, 0.00315933/step Wall: 5941.31, 0.00315933/step, 2.73879 hours remaining, 236.234375 MB of memory in use. ENERGY: 1879200 3914.4651 20587.9947 14437.9308 259.7976 -203800.7561 2899.3314 0.0000 0.0000 52200.4723 -109500.7642 299.9968 -161701.2365 -109131.3729 298.8711 205.2214 236.6663 762151.7402 15.1126 15.1040 PRESSURE: 1879400 -105.08 -35.7702 38.9026 -35.7709 226.646 35.328 38.9027 35.3289 -192.695 GPRESSURE: 1879400 -77.2422 2.61797 31.7865 -102.22 322.996 99.6093 22.8046 55.1082 -228.908 PRESSAVG: 1879400 -60.0153 -17.6013 73.3742 -17.6012 19.9105 -5.17119 73.3742 -5.17114 -10.9764 GPRESSAVG: 1879400 -58.4955 -18.4248 71.474 -18.2741 18.7383 -6.71961 73.3238 -3.84765 -10.9479 TIMING: 1879400 CPU: 5941.95, 0.00316239/step Wall: 5941.95, 0.00316239/step, 2.74127 hours remaining, 236.234375 MB of memory in use. ENERGY: 1879400 3989.9054 20574.9358 14488.9712 247.8335 -203897.9700 3077.5946 0.0000 0.0000 51907.9804 -109610.7491 298.3159 -161518.7295 -109254.6027 298.4881 -23.7099 5.6153 761923.9410 -17.0271 -16.9017 PRESSURE: 1879600 -114.681 -3.40755 -219.008 -3.40771 -43.4518 -8.4525 -219.009 -8.45253 -398.577 GPRESSURE: 1879600 -106.123 80.2442 -91.7954 21.2037 -27.9777 53.31 -210.297 -4.09857 -337.203 PRESSAVG: 1879600 -20.8124 3.56304 -16.9509 3.56302 33.0327 11.7949 -16.9509 11.7949 10.4752 GPRESSAVG: 1879600 -22.4447 4.31537 -15.5097 5.31727 34.6194 12.6545 -16.5575 11.0006 10.2466 TIMING: 1879600 CPU: 5942.57, 0.00313471/step Wall: 5942.57, 0.00313471/step, 2.7171 hours remaining, 236.234375 MB of memory in use. ENERGY: 1879600 4020.3867 20634.1453 14541.5422 246.6643 -203331.1795 2599.5725 0.0000 0.0000 51888.3290 -109400.5395 298.2029 -161288.8685 -109036.8215 298.9931 -185.5700 -157.1014 763189.0125 7.5651 7.4738 PRESSURE: 1879800 -160.747 129.099 -2.8389 129.098 12.6261 -31.0252 -2.83937 -31.0251 25.5724 GPRESSURE: 1879800 -93.3773 -36.8717 56.7995 50.4078 9.16851 -71.872 28.989 -31.5178 18.5179 PRESSAVG: 1879800 -61.7248 44.8139 11.247 44.8138 85.8414 -78.7656 11.247 -78.7656 -24.9307 GPRESSAVG: 1879800 -60.6467 43.1804 9.82603 43.2687 85.4979 -79.2609 11.2984 -76.6202 -25.7497 TIMING: 1879800 CPU: 5943.2, 0.00313124/step Wall: 5943.2, 0.00313124/step, 2.71392 hours remaining, 236.234375 MB of memory in use. ENERGY: 1879800 3956.1141 20598.0273 14422.7279 234.1807 -203401.6390 2580.8587 0.0000 0.0000 52307.1092 -109302.6212 300.6097 -161609.7304 -108941.5139 298.9893 -40.8494 -21.8970 762716.9888 -0.2714 -0.2995 PRESSURE: 1880000 -91.6606 17.8432 144.267 17.8433 -4.51837 -88.4115 144.268 -88.4116 -381.419 GPRESSURE: 1880000 -56.1319 72.2393 147.369 23.0589 40.6751 -41.6967 136.737 -52.7837 -391.84 PRESSAVG: 1880000 25.1994 -12.8508 -21.9007 -12.8507 -10.3721 -2.96056 -21.9007 -2.96052 5.21817 GPRESSAVG: 1880000 24.4459 -12.3849 -21.552 -10.903 -10.8479 -1.76375 -21.5113 -6.22494 6.45969 TIMING: 1880000 CPU: 5943.83, 0.00314018/step Wall: 5943.83, 0.00314018/step, 2.72149 hours remaining, 236.234375 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: 1880000 4035.0536 20641.5742 14433.4830 243.8142 -203068.3493 2583.4514 0.0000 0.0000 51937.3616 -109193.6113 298.4847 -161130.9729 -108834.0787 299.3428 -159.1994 -135.7657 764232.4865 6.6818 6.6859 PRESSURE: 1880200 -132.193 -70.44 99.6485 -70.4402 -47.841 7.8512 99.6481 7.85096 -45.8435 GPRESSURE: 1880200 32.9105 -31.9641 -7.12922 -76.0528 -140.246 4.41626 89.7103 51.5768 -62.648 PRESSAVG: 1880200 29.8111 -48.5545 23.4557 -48.5544 -47.5705 -10.5629 23.4558 -10.5629 -1.35996 GPRESSAVG: 1880200 32.4513 -48.6704 25.3843 -47.6378 -48.7922 -10.7568 21.2921 -10.7647 -3.38261 TIMING: 1880200 CPU: 5944.46, 0.00314518/step Wall: 5944.46, 0.00314518/step, 2.72565 hours remaining, 236.234375 MB of memory in use. ENERGY: 1880200 4117.1646 20556.9954 14530.2507 272.8761 -203259.9288 2605.8686 0.0000 0.0000 52008.5707 -109168.2027 298.8940 -161176.7734 -108801.6621 299.9982 -75.2925 -56.6611 762870.2785 -6.3731 -6.5745 LDB: ============= START OF LOAD BALANCING ============== 5956.99 LDB: ============== END OF LOAD BALANCING =============== 5956.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5956.99 LDB: ============= START OF LOAD BALANCING ============== 5957.3 LDB: Largest compute 7043 load 0.030531 is 15.6% of average load 0.195459 LDB: Average compute 0.004388 is 2.2% of average load 0.195459 LDB: TIME 5957.31 LOAD: AVG 0.195459 MAX 0.215616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.484 MB LDB: TIME 5957.31 LOAD: AVG 0.195459 MAX 0.215616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: TIME 5957.31 LOAD: AVG 0.195459 MAX 0.215616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.688 MB LDB: ============== END OF LOAD BALANCING =============== 5957.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5957.31 PRESSURE: 1880400 -75.6668 4.73911 76.5863 4.73961 197.881 -135.664 76.5863 -135.663 -27.7104 GPRESSURE: 1880400 72.2291 65.3642 27.5192 154.323 168.235 -99.3842 80.9865 -161.008 -62.187 PRESSAVG: 1880400 44.3513 18.6353 16.7015 18.6353 -11.399 -20.435 16.7015 -20.435 11.0835 GPRESSAVG: 1880400 41.9742 19.3262 13.7306 17.6326 -10.5974 -19.6495 19.015 -17.056 12.2332 TIMING: 1880400 CPU: 5945.1, 0.00320109/step Wall: 5945.1, 0.00320109/step, 2.77392 hours remaining, 236.929688 MB of memory in use. ENERGY: 1880400 3932.9419 20601.9190 14430.2104 258.8831 -203805.3481 3161.4197 0.0000 0.0000 52134.7966 -109285.1774 299.6194 -161419.9740 -108920.3878 299.5548 31.5012 59.4257 762980.5229 14.6786 14.5367 PRESSURE: 1880600 24.1101 30.5744 110.165 30.574 59.7294 201.101 110.165 201.101 85.4053 GPRESSURE: 1880600 68.8022 77.3907 120.892 -76.91 20.7199 141.512 96.9178 207.554 171.161 PRESSAVG: 1880600 -37.8272 -0.263877 10.9433 -0.263838 53.922 -14.7338 10.9434 -14.7338 -0.517528 GPRESSAVG: 1880600 -38.1344 -1.20004 11.6166 -0.607292 53.089 -14.1678 9.91613 -18.1722 0.160586 TIMING: 1880600 CPU: 5945.72, 0.00312868/step Wall: 5945.72, 0.00312868/step, 2.711 hours remaining, 236.996094 MB of memory in use. ENERGY: 1880600 4051.0662 20569.4284 14480.9135 247.8413 -203972.2027 3204.3335 0.0000 0.0000 52161.7791 -109256.8408 299.7745 -161418.6199 -108901.2670 299.2288 56.4149 86.8943 763130.0414 5.1924 5.0384 PRESSURE: 1880800 -80.9403 -68.3587 -29.1477 -68.3581 -113.366 299.978 -29.1488 299.977 53.4844 GPRESSURE: 1880800 -105.957 7.8363 -85.8487 -0.350574 -17.6662 266.933 -51.7269 299.413 77.7135 PRESSAVG: 1880800 -18.3606 -24.5869 -20.8396 -24.5869 29.932 26.5614 -20.8396 26.5614 13.8311 GPRESSAVG: 1880800 -18.8176 -23.2398 -20.8259 -25.8839 30.9016 24.5987 -19.7459 27.4064 13.3556 TIMING: 1880800 CPU: 5946.35, 0.00315276/step Wall: 5946.35, 0.00315276/step, 2.73169 hours remaining, 236.996094 MB of memory in use. ENERGY: 1880800 4060.4095 20589.9202 14462.7052 260.8796 -203027.8048 2689.8970 0.0000 0.0000 51873.6308 -109090.3625 298.1185 -160963.9933 -108726.1074 299.7776 -46.9407 -15.3032 764933.9225 8.4675 8.4799 PRESSURE: 1881000 -2.28409 50.1737 -69.3361 50.1735 -131.753 -164.806 -69.3358 -164.807 -287.983 GPRESSURE: 1881000 93.9262 43.0301 -90.4204 5.2033 -165.126 -280.508 -24.9176 -104.379 -276.448 PRESSAVG: 1881000 52.3571 11.3959 21.0571 11.3958 -67.3276 -17.1115 21.0571 -17.1115 -2.52477 GPRESSAVG: 1881000 52.9976 11.0098 23.0433 12.6628 -67.7911 -15.639 20.2179 -15.7842 -2.30443 TIMING: 1881000 CPU: 5946.99, 0.0031604/step Wall: 5946.99, 0.0031604/step, 2.73814 hours remaining, 236.996094 MB of memory in use. ENERGY: 1881000 3984.5142 20591.0129 14452.3019 259.6337 -202749.4341 2388.6171 0.0000 0.0000 51879.6969 -109193.6574 298.1533 -161073.3543 -108824.7613 299.3073 -140.6735 -115.8826 763498.6725 -5.8318 -5.6993 PRESSURE: 1881200 -256.378 129.157 -145.647 129.157 -151.56 -248.078 -145.647 -248.077 9.1524 GPRESSURE: 1881200 -177.234 183.439 -121.555 65.4662 -227.614 -127.814 -102.603 -151.73 82.985 PRESSAVG: 1881200 13.4053 -44.9704 -10.2874 -44.9704 -14.8455 30.1667 -10.2874 30.1667 18.6773 GPRESSAVG: 1881200 14.1913 -47.3131 -11.2193 -44.1854 -15.9007 30.6627 -7.24427 29.0941 18.3636 TIMING: 1881200 CPU: 5947.62, 0.00315842/step Wall: 5947.62, 0.00315842/step, 2.73624 hours remaining, 236.996094 MB of memory in use. ENERGY: 1881200 3964.5457 20556.7136 14373.2832 255.4135 -203041.0054 2535.2528 0.0000 0.0000 52170.4206 -109185.3761 299.8241 -161355.7967 -108821.5345 299.8309 -132.9286 -107.2875 763433.7329 5.7457 5.5514 PRESSURE: 1881400 283.88 125.38 122.823 125.38 75.6408 24.7921 122.823 24.7906 82.752 GPRESSURE: 1881400 366.177 -33.9905 57.8803 123.845 107.632 75.8381 106.629 4.11299 52.8426 PRESSAVG: 1881400 14.1417 24.5192 -6.28721 24.5193 30.6805 4.06637 -6.28718 4.0665 10.8646 GPRESSAVG: 1881400 13.9699 24.9099 -6.60123 23.7562 31.5284 5.76443 -7.58718 4.29994 11.1355 TIMING: 1881400 CPU: 5948.25, 0.00315908/step Wall: 5948.25, 0.00315908/step, 2.73664 hours remaining, 236.996094 MB of memory in use. ENERGY: 1881400 3986.9115 20434.1945 14491.3594 260.5975 -203282.0364 2728.2787 0.0000 0.0000 52168.6189 -109212.0759 299.8138 -161380.6948 -108853.9154 299.4385 147.4243 175.5505 763321.8167 18.5622 18.8779 PRESSURE: 1881600 -36.0929 -78.8866 66.2827 -78.887 29.5139 -307.074 66.2832 -307.076 114.249 GPRESSURE: 1881600 36.3095 -42.4451 -54.3439 0.868039 40.4127 -294.874 69.3474 -324.972 111.052 PRESSAVG: 1881600 -84.2915 -5.1949 5.70698 -5.19488 30.0657 -29.4556 5.70698 -29.4556 -7.7074 GPRESSAVG: 1881600 -83.5903 -3.61932 4.60587 -6.60138 29.1591 -32.8952 5.54432 -29.8377 -7.29859 TIMING: 1881600 CPU: 5948.88, 0.00314655/step Wall: 5948.88, 0.00314655/step, 2.72561 hours remaining, 236.996094 MB of memory in use. ENERGY: 1881600 3991.5943 20585.7557 14389.8006 241.5149 -202917.4241 2428.5662 0.0000 0.0000 52003.2622 -109276.9302 298.8635 -161280.1925 -108922.4702 299.3337 35.8901 62.5913 762570.1631 -20.6444 -20.5766 PRESSURE: 1881800 -176.035 178.963 -65.0456 178.964 69.7441 -173.725 -65.0449 -173.725 -77.1 GPRESSURE: 1881800 -280.628 153.711 -80.9446 202.039 170.858 -168.267 -55.4859 -202.994 5.54845 PRESSAVG: 1881800 -15.9486 24.3681 4.63192 24.3681 73.7797 -10.2114 4.63196 -10.2115 6.33796 GPRESSAVG: 1881800 -17.1384 23.3827 5.47821 24.809 74.2571 -10.0958 1.83156 -8.92387 6.34153 TIMING: 1881800 CPU: 5949.51, 0.00316451/step Wall: 5949.51, 0.00316451/step, 2.74099 hours remaining, 236.996094 MB of memory in use. ENERGY: 1881800 3936.1270 20442.7313 14521.2520 244.2600 -203580.9630 2901.9278 0.0000 0.0000 52178.5504 -109356.1145 299.8708 -161534.6649 -108990.7482 298.9406 -61.1303 -34.7405 762292.3457 21.3897 21.1534 PRESSURE: 1882000 127.424 -215.549 -284.96 -215.55 27.9998 178.948 -284.959 178.949 27.0688 GPRESSURE: 1882000 155.894 -276.864 -286.079 -283.595 86.2339 121.771 -212.292 165.401 22.694 PRESSAVG: 1882000 -45.0777 9.38801 -12.4547 9.38802 37.8579 -21.6695 -12.4546 -21.6694 17.7587 GPRESSAVG: 1882000 -45.0032 9.72938 -13.4875 8.49415 38.3916 -20.6291 -9.52324 -24.8749 17.4207 TIMING: 1882000 CPU: 5950.14, 0.00316065/step Wall: 5950.14, 0.00316065/step, 2.73747 hours remaining, 236.996094 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: 1882000 3954.5580 20623.0472 14457.2379 254.5734 -203280.4135 2729.9688 0.0000 0.0000 52059.9468 -109201.0815 299.1892 -161261.0282 -108836.6858 298.9464 60.8309 88.2740 762620.8472 3.5130 3.6030 PRESSURE: 1882200 -265.966 -2.30355 47.6843 -2.30414 -147.903 -118.973 47.6834 -118.972 -183.084 GPRESSURE: 1882200 -266.06 13.9293 23.3401 45.0945 -67.3203 -111.933 -85.2502 -38.9053 -181.83 PRESSAVG: 1882200 -34.2094 -42.3218 7.7166 -42.3218 6.17893 12.5845 7.71658 12.5845 -15.5656 GPRESSAVG: 1882200 -32.8508 -42.1809 7.5184 -41.1966 3.91429 11.265 6.37627 16.9577 -14.6225 TIMING: 1882200 CPU: 5950.77, 0.00313291/step Wall: 5950.77, 0.00313291/step, 2.71327 hours remaining, 236.996094 MB of memory in use. ENERGY: 1882200 4056.3974 20540.7694 14492.8784 256.2241 -203255.8070 2452.2258 0.0000 0.0000 52263.5409 -109193.7710 300.3593 -161457.3119 -108832.9244 299.6864 -198.9842 -171.7369 762958.7950 -14.5320 -14.5197 PRESSURE: 1882400 -179.176 -91.3021 174.809 -91.3013 -221.035 -86.4935 174.809 -86.4921 -155.191 GPRESSURE: 1882400 -122.569 -35.2279 213.914 -105.347 -176.958 -82.4336 255.979 -165.069 -147.505 PRESSAVG: 1882400 6.87814 -54.8754 -37.7007 -54.8754 20.0161 -1.03709 -37.7007 -1.03717 11.5018 GPRESSAVG: 1882400 7.14938 -54.729 -35.7351 -55.3114 20.9771 -1.0845 -35.3594 -3.77364 10.3312 TIMING: 1882400 CPU: 5951.4, 0.00315125/step Wall: 5951.4, 0.00315125/step, 2.72898 hours remaining, 236.996094 MB of memory in use. ENERGY: 1882400 4056.8097 20495.3917 14453.0202 254.8452 -203201.3814 2619.4131 0.0000 0.0000 52161.0782 -109160.8232 299.7704 -161321.9014 -108787.8401 299.6071 -185.1338 -149.0108 762669.8753 12.7987 12.8192 PRESSURE: 1882600 84.123 -26.8688 -178.996 -26.8685 -271.672 -54.1806 -178.996 -54.1807 685.464 GPRESSURE: 1882600 133.838 -103.486 -117.072 100.427 -230.525 -20.7858 -37.0805 -68.1282 656.547 PRESSAVG: 1882600 -1.15933 -30.2645 -27.2654 -30.2645 -21.0259 25.2472 -27.2653 25.2472 -17.4658 GPRESSAVG: 1882600 -1.87151 -30.39 -27.761 -27.8629 -21.2011 25.2881 -28.4454 27.3413 -17.0326 TIMING: 1882600 CPU: 5952.03, 0.00314405/step Wall: 5952.03, 0.00314405/step, 2.72257 hours remaining, 236.996094 MB of memory in use. ENERGY: 1882600 3995.1514 20473.1135 14447.2168 242.7415 -203410.6005 3016.1633 0.0000 0.0000 52343.8356 -108892.3784 300.8207 -161236.2139 -108542.7053 299.9008 165.9718 186.6199 762581.6199 -13.2170 -13.3684 PRESSURE: 1882800 -61.1 -30.1355 28.7453 -30.1347 -128.975 153.829 28.7455 153.829 108.712 GPRESSURE: 1882800 -87.9488 -23.5469 22.2215 44.9522 -99.7783 105.081 113.949 192.752 188.816 PRESSAVG: 1882800 -10.3717 -25.2089 -29.7518 -25.2089 -2.62394 12.0386 -29.7518 12.0386 -12.0194 GPRESSAVG: 1882800 -10.9532 -26.2078 -29.6979 -26.9976 -1.79355 11.8298 -28.6358 11.8706 -12.7713 TIMING: 1882800 CPU: 5952.66, 0.00314441/step Wall: 5952.66, 0.00314441/step, 2.72271 hours remaining, 236.996094 MB of memory in use. ENERGY: 1882800 3993.8331 20507.1454 14450.1460 266.4865 -203354.1564 2860.1365 0.0000 0.0000 52366.2383 -108910.1705 300.9495 -161276.4089 -108540.7919 300.2327 -27.1208 0.3629 764112.2233 -8.3383 -8.5060 PRESSURE: 1883000 -320.933 -120.093 -205.623 -120.093 -181.721 335.069 -205.623 335.069 -293.89 GPRESSURE: 1883000 -279.47 -194.416 -219.117 -83.2491 -189.905 390.69 -174.886 315.173 -242.935 PRESSAVG: 1883000 -47.2576 -46.4531 -25.6265 -46.4531 -1.13578 28.4158 -25.6264 28.4158 -6.51603 GPRESSAVG: 1883000 -46.3241 -45.5496 -27.341 -47.1085 -0.733461 28.4602 -24.4393 27.5735 -7.49099 TIMING: 1883000 CPU: 5953.29, 0.00315682/step Wall: 5953.29, 0.00315682/step, 2.73328 hours remaining, 236.996094 MB of memory in use. ENERGY: 1883000 4086.3508 20622.9190 14512.5034 258.7924 -203077.2269 2658.2327 0.0000 0.0000 52086.7223 -108851.7063 299.3431 -160938.4286 -108500.8462 300.1498 -265.5148 -237.4366 762810.4782 -18.3031 -18.1829 PRESSURE: 1883200 199.055 20.6534 232.783 20.6538 148.003 -235.872 232.783 -235.871 -33.2292 GPRESSURE: 1883200 232.577 -48.0586 192.756 42.6956 154.234 -159.603 190.038 -223.031 1.25677 PRESSAVG: 1883200 -13.9146 -63.3115 37.9544 -63.3114 -13.3387 -11.9209 37.9544 -11.9209 2.8534 GPRESSAVG: 1883200 -16.1765 -62.3187 37.2327 -62.3172 -13.4498 -10.9198 34.1361 -13.1034 4.53925 TIMING: 1883200 CPU: 5953.92, 0.003148/step Wall: 5953.92, 0.003148/step, 2.72547 hours remaining, 236.996094 MB of memory in use. ENERGY: 1883200 4029.1892 20627.4584 14444.2000 229.4881 -203363.6556 2813.5097 0.0000 0.0000 52164.8139 -109054.9963 299.7919 -161219.8102 -108692.5978 300.4425 104.6096 129.3561 761014.3874 -8.1333 -8.3623 PRESSURE: 1883400 -114.945 -14.4124 -4.3042 -14.4122 -72.8689 -191.158 -4.30481 -191.157 -270.644 GPRESSURE: 1883400 -57.3138 -39.612 20.716 -17.9525 -66.7352 -86.6004 -27.5757 -289.83 -258.843 PRESSAVG: 1883400 -74.7602 -47.1809 44.5928 -47.1809 12.0577 -53.6111 44.5928 -53.6112 12.2335 GPRESSAVG: 1883400 -75.3324 -47.4256 45.1659 -47.9517 11.8883 -54.3303 46.372 -51.1456 12.7284 TIMING: 1883400 CPU: 5954.54, 0.00312683/step Wall: 5954.54, 0.00312683/step, 2.70696 hours remaining, 236.996094 MB of memory in use. ENERGY: 1883400 4003.6898 20548.8169 14423.6652 242.9969 -202941.4525 2525.5673 0.0000 0.0000 52230.0294 -108966.6870 300.1667 -161196.7164 -108609.1705 300.2132 -152.8193 -127.6308 762591.3002 -16.8230 -16.9053 PRESSURE: 1883600 -370.457 95.6044 -165.777 95.6051 83.3748 58.1773 -165.777 58.1766 -161.396 GPRESSURE: 1883600 -195.094 77.68 -149.739 59.7313 10.242 91.1558 -227.005 99.5302 -163.359 PRESSAVG: 1883600 -7.75645 -31.8782 26.2883 -31.8782 28.462 -28.0685 26.2883 -28.0685 -8.77494 GPRESSAVG: 1883600 -5.95098 -33.4408 28.1687 -29.7019 28.3539 -26.0698 24.955 -30.5942 -10.4086 TIMING: 1883600 CPU: 5955.17, 0.00314533/step Wall: 5955.17, 0.00314532/step, 2.7228 hours remaining, 236.996094 MB of memory in use. ENERGY: 1883600 4049.0362 20551.5530 14443.8213 244.7834 -202951.2877 2492.7909 0.0000 0.0000 52117.5373 -109051.7655 299.5202 -161169.3028 -108690.9461 300.4773 -149.4927 -116.0704 762549.5304 3.9769 3.9981 PRESSURE: 1883800 262.947 48.411 128.551 48.4106 -238.051 171.44 128.551 171.44 346.873 GPRESSURE: 1883800 221.229 80.8337 125.115 37.5853 -105.411 172.033 4.18096 96.6102 336.492 PRESSAVG: 1883800 -41.9147 -9.5725 -18.9521 -9.57253 8.03143 -32.226 -18.9521 -32.2261 -5.34549 GPRESSAVG: 1883800 -41.2342 -8.40965 -20.8796 -11.3256 6.56903 -32.9156 -18.2884 -31.601 -4.76897 TIMING: 1883800 CPU: 5955.8, 0.00315276/step Wall: 5955.8, 0.00315276/step, 2.72907 hours remaining, 236.996094 MB of memory in use. ENERGY: 1883800 3985.8079 20384.9726 14439.9351 256.0963 -203309.9408 2847.2145 0.0000 0.0000 52063.9780 -109331.9365 299.2124 -161395.9144 -108969.5156 299.6013 123.9228 150.7701 762644.5590 -13.0763 -13.1447 PRESSURE: 1884000 -30.04 150.478 -6.23999 150.478 -359.272 -27.4135 -6.2402 -27.4125 -263.864 GPRESSURE: 1884000 -22.2682 47.0989 -42.9221 17.5748 -363.76 -190.049 33.1778 132.863 -188.168 PRESSAVG: 1884000 -20.994 -8.29029 25.522 -8.29031 32.0565 -20.9505 25.522 -20.9506 3.50387 GPRESSAVG: 1884000 -21.8694 -8.6586 25.4514 -7.07325 31.4944 -22.6595 27.0558 -19.2088 4.96493 TIMING: 1884000 CPU: 5956.43, 0.00315266/step Wall: 5956.43, 0.00315266/step, 2.7288 hours remaining, 236.996094 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: 1884000 3991.1573 20503.4519 14394.1961 253.2525 -203161.9342 2460.1493 0.0000 0.0000 52046.6786 -109513.0486 299.1130 -161559.7272 -109157.3401 298.8396 -217.7254 -191.3987 763444.1015 4.8555 4.8633 PRESSURE: 1884200 -476.056 101.253 41.4953 101.252 -163.681 -53.0978 41.4963 -53.0978 -277.877 GPRESSURE: 1884200 -382.435 -16.6137 115.647 12.2556 -272.068 -55.5112 39.7402 11.0394 -183.243 PRESSAVG: 1884200 -74.7226 -25.754 36.2661 -25.754 93.7966 -87.6342 36.266 -87.6342 -9.12814 GPRESSAVG: 1884200 -74.5432 -26.9328 37.0446 -27.3296 94.5447 -87.5187 34.2594 -89.0756 -10.5092 TIMING: 1884200 CPU: 5957.06, 0.00315011/step Wall: 5957.06, 0.00315011/step, 2.72642 hours remaining, 236.996094 MB of memory in use. ENERGY: 1884200 3994.5116 20582.9709 14534.8694 252.3728 -203060.2669 2440.2699 0.0000 0.0000 51909.3158 -109345.9564 298.3236 -161255.2723 -108978.4719 299.2911 -305.8714 -279.2485 764663.5192 3.3153 3.1641 LDB: ============= START OF LOAD BALANCING ============== 5969.6 LDB: ============== END OF LOAD BALANCING =============== 5969.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5969.6 LDB: ============= START OF LOAD BALANCING ============== 5969.91 LDB: Largest compute 7043 load 0.030487 is 15.6% of average load 0.195375 LDB: Average compute 0.004393 is 2.2% of average load 0.195375 LDB: TIME 5969.92 LOAD: AVG 0.195375 MAX 0.214701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 5969.92 LOAD: AVG 0.195375 MAX 0.214701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 5969.92 LOAD: AVG 0.195375 MAX 0.214701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 5969.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5969.92 PRESSURE: 1884400 380.691 -49.005 -12.4591 -49.005 -260.128 62.4994 -12.4594 62.4986 -102.051 GPRESSURE: 1884400 336.92 0.772829 1.52767 -57.5467 -78.3016 15.1487 47.4323 67.5609 -146.105 PRESSAVG: 1884400 -51.7347 -9.27841 15.005 -9.27841 12.6858 -8.50642 15.0049 -8.50643 25.8095 GPRESSAVG: 1884400 -52.9586 -7.01923 13.9998 -8.88059 14.4483 -7.31206 16.9876 -9.79433 25.4813 TIMING: 1884400 CPU: 5957.71, 0.00321814/step Wall: 5957.71, 0.00321814/step, 2.78512 hours remaining, 236.472656 MB of memory in use. ENERGY: 1884400 3955.5662 20652.7274 14476.6874 247.8635 -203372.6060 2836.5600 0.0000 0.0000 52133.6950 -109069.5065 299.6131 -161203.2015 -108705.1996 299.8038 6.1705 37.5044 762895.9280 -4.4131 -4.3430 PRESSURE: 1884600 29.5159 -1.83739 -21.036 -1.83779 -62.9019 -81.0697 -21.0364 -81.0689 -113.972 GPRESSURE: 1884600 108.335 77.6315 -87.3336 52.7895 -82.6156 -92.2312 6.02481 -1.5721 -81.9697 PRESSAVG: 1884600 -17.6426 -1.09075 16.2781 -1.09082 -5.43807 6.93633 16.278 6.93629 7.95544 GPRESSAVG: 1884600 -16.3559 0.226164 14.828 -1.50944 -6.34065 5.13563 16.399 7.0627 7.21648 TIMING: 1884600 CPU: 5958.34, 0.00313603/step Wall: 5958.34, 0.00313603/step, 2.71389 hours remaining, 236.675781 MB of memory in use. ENERGY: 1884600 4025.9554 20452.8980 14505.7384 248.7595 -203223.0711 2657.9609 0.0000 0.0000 52254.3526 -109077.4063 300.3065 -161331.7589 -108706.7990 300.0077 -49.1193 -18.7501 762294.4122 -5.0417 -5.1600 PRESSURE: 1884800 -24.9803 -108.222 -178.347 -108.222 -170.622 -37.2817 -178.348 -37.2813 -440.379 GPRESSURE: 1884800 55.1608 -174.835 -171.388 -203.39 -122.207 26.4488 -146.486 -134.54 -498.628 PRESSAVG: 1884800 26.4181 -18.8991 -27.3728 -18.8991 -31.8459 42.7419 -27.3728 42.7418 -9.96425 GPRESSAVG: 1884800 26.4559 -21.2072 -26.0609 -16.9089 -34.6884 42.984 -27.5963 44.3555 -7.6255 TIMING: 1884800 CPU: 5958.97, 0.00315057/step Wall: 5958.97, 0.00315057/step, 2.72629 hours remaining, 236.675781 MB of memory in use. ENERGY: 1884800 3989.2605 20725.6254 14424.9214 229.5216 -203135.4983 2748.5950 0.0000 0.0000 52057.7010 -108959.8734 299.1763 -161017.5744 -108603.3779 300.4075 -211.9939 -188.5582 763154.8286 -5.1307 -5.2860 PRESSURE: 1885000 3.49924 204.222 34.1733 204.222 189.624 75.5335 34.1738 75.5344 -319.585 GPRESSURE: 1885000 17.8535 126.57 67.4247 170.02 228.046 140.887 -28.9608 77.1944 -295.195 PRESSAVG: 1885000 -34.2774 12.1705 -38.2573 12.1705 25.2951 -6.23196 -38.2573 -6.23199 -3.17426 GPRESSAVG: 1885000 -34.0248 13.2114 -37.9751 9.7475 27.4786 -4.89067 -40.1493 -7.81947 -5.35426 TIMING: 1885000 CPU: 5959.59, 0.00314572/step Wall: 5959.59, 0.00314572/step, 2.72192 hours remaining, 236.675781 MB of memory in use. ENERGY: 1885000 3976.5862 20442.8515 14488.0987 227.7352 -202934.1340 2563.4741 0.0000 0.0000 52275.5241 -108959.8642 300.4282 -161235.3883 -108593.8837 300.1733 -42.1539 -16.4318 763576.8985 -4.0522 -3.9668 PRESSURE: 1885200 148.266 39.3014 19.5187 39.3015 -3.21807 -25.1619 19.5184 -25.1622 294.865 GPRESSURE: 1885200 137.702 74.4287 52.0145 -94.1211 158.541 104.56 -52.1459 -12.5771 231.724 PRESSAVG: 1885200 -44.252 18.7515 -20.5263 18.7516 26.9458 -0.308809 -20.5263 -0.308831 -7.66063 GPRESSAVG: 1885200 -44.9845 17.9483 -19.5074 17.6096 26.4946 0.31948 -20.8877 0.811114 -6.48512 TIMING: 1885200 CPU: 5960.22, 0.00314541/step Wall: 5960.22, 0.00314541/step, 2.72148 hours remaining, 236.675781 MB of memory in use. ENERGY: 1885200 3996.2950 20522.8947 14417.7034 236.6487 -203288.0889 2937.1765 0.0000 0.0000 52207.1545 -108970.2161 300.0352 -161177.3706 -108610.2997 299.8419 146.6377 175.9888 762923.5452 -8.3223 -8.3250 PRESSURE: 1885400 -86.5738 -146.712 -19.8588 -146.712 371.097 96.5267 -19.8592 96.5265 985.554 GPRESSURE: 1885400 19.9437 -27.6846 -65.2914 -206.134 349.042 12.8609 122.921 59.5211 995.858 PRESSAVG: 1885400 -7.08366 -48.1204 -75.6948 -48.1204 -8.12333 -49.2779 -75.6947 -49.2779 0.0849522 GPRESSAVG: 1885400 -7.51193 -45.7701 -76.6495 -45.3102 -9.05876 -51.9656 -75.8588 -47.8124 1.56192 TIMING: 1885400 CPU: 5960.85, 0.00313395/step Wall: 5960.85, 0.00313395/step, 2.71139 hours remaining, 236.675781 MB of memory in use. ENERGY: 1885400 3911.6791 20424.7410 14518.4818 229.0729 -203182.7396 2946.8902 0.0000 0.0000 52259.6775 -108892.1971 300.3371 -161151.8746 -108527.3129 300.1310 423.3588 454.9481 762222.2821 -5.0407 -5.0029 PRESSURE: 1885600 -105.49 -121.018 -1.68727 -121.017 -139.812 -247.404 -1.68759 -247.404 77.9865 GPRESSURE: 1885600 -71.0124 -78.7384 -5.62411 -31.1385 -126.734 -129.822 -114.754 -228.22 104.406 PRESSAVG: 1885600 -42.0796 24.9279 -20.677 24.9278 48.2577 -62.1887 -20.677 -62.1888 5.59109 GPRESSAVG: 1885600 -42.402 23.5323 -21.6103 23.1912 49.9727 -60.2655 -17.4446 -63.0662 4.00606 TIMING: 1885600 CPU: 5961.48, 0.00315281/step Wall: 5961.48, 0.00315281/step, 2.72753 hours remaining, 236.675781 MB of memory in use. ENERGY: 1885600 4005.8191 20530.3361 14475.3968 247.5215 -203233.1646 2652.3139 0.0000 0.0000 52262.7075 -109059.0696 300.3545 -161321.7771 -108698.2856 300.0399 -55.7716 -31.1133 763161.1184 3.9231 3.8589 PRESSURE: 1885800 217.017 122.575 -73.4746 122.576 198.451 -60.8983 -73.4755 -60.898 183.105 GPRESSURE: 1885800 224.445 146.596 -129.627 3.8872 202.726 -86.0459 17.466 -103.852 232.47 PRESSAVG: 1885800 -31.631 -35.9576 -8.44139 -35.9575 17.5244 -13.5295 -8.44137 -13.5295 -12.4699 GPRESSAVG: 1885800 -31.231 -36.7539 -8.30122 -35.351 16.5921 -14.1374 -11.7751 -13.519 -12.552 TIMING: 1885800 CPU: 5962.11, 0.00315491/step Wall: 5962.11, 0.00315491/step, 2.72917 hours remaining, 236.675781 MB of memory in use. ENERGY: 1885800 3951.0847 20541.1440 14461.9761 244.3942 -203437.2598 2920.2485 0.0000 0.0000 52189.6349 -109128.7774 299.9345 -161318.4123 -108764.5043 300.0085 199.5246 219.8805 763075.8233 -8.8588 -9.0636 PRESSURE: 1886000 -549.019 -70.8499 -142.955 -70.849 -299.04 147.836 -142.955 147.835 -182.627 GPRESSURE: 1886000 -532.129 35.851 -94.4518 -132.639 -248.584 173.536 -218.379 313.945 -168.504 PRESSAVG: 1886000 -26.9503 -32.425 -32.361 -32.425 16.2683 4.39749 -32.3609 4.39753 0.395336 GPRESSAVG: 1886000 -25.6356 -31.2055 -32.2323 -32.6907 15.5377 4.1897 -32.58 3.79658 0.0985714 TIMING: 1886000 CPU: 5962.74, 0.00312993/step Wall: 5962.74, 0.00312993/step, 2.70739 hours remaining, 236.675781 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: 1886000 4094.0338 20649.3458 14473.3682 233.3614 -203059.4835 2693.9094 0.0000 0.0000 52073.0842 -108842.3806 299.2647 -160915.4648 -108476.4211 299.9577 -343.5617 -316.4057 764836.4646 -3.4289 -3.3331 PRESSURE: 1886200 260.051 -37.7651 -219.447 -37.7656 155.131 -284.873 -219.446 -284.872 -193.782 GPRESSURE: 1886200 213.336 -37.995 -201.875 51.4659 166.232 -262.093 -79.4235 -303.114 -98.397 PRESSAVG: 1886200 -34.6339 -14.2687 -18.157 -14.2688 44.8735 -11.7498 -18.157 -11.7498 -22.0677 GPRESSAVG: 1886200 -36.6591 -14.4475 -19.0107 -14.2463 44.92 -11.2701 -16.3715 -11.5708 -20.5795 TIMING: 1886200 CPU: 5963.36, 0.00313488/step Wall: 5963.36, 0.00313488/step, 2.71149 hours remaining, 236.675781 MB of memory in use. ENERGY: 1886200 3984.3306 20542.6211 14452.1553 227.8315 -203472.9965 3038.8999 0.0000 0.0000 52028.3432 -109198.8148 299.0076 -161227.1581 -108835.2545 299.8737 73.7999 93.7236 763085.0704 -3.9427 -4.1062 PRESSURE: 1886400 -186.49 -71.1013 172.15 -71.1031 -214.875 -103.529 172.15 -103.528 83.9405 GPRESSURE: 1886400 -115.342 -3.62332 241.106 23.585 -219.887 -151.866 56.3116 -147.302 119.317 PRESSAVG: 1886400 13.302 -0.644045 -9.48557 -0.644044 -4.54498 27.572 -9.48553 27.5719 8.17511 GPRESSAVG: 1886400 13.9567 -0.451525 -8.47561 -1.45376 -4.31769 26.9485 -10.0024 27.1376 7.20478 TIMING: 1886400 CPU: 5963.99, 0.00313645/step Wall: 5963.99, 0.00313645/step, 2.71268 hours remaining, 236.675781 MB of memory in use. ENERGY: 1886400 4018.4282 20514.1135 14534.1417 257.9927 -202930.1192 2477.2958 0.0000 0.0000 51913.1940 -109214.9533 298.3458 -161128.1472 -108850.6351 299.4315 -105.8084 -71.9705 762856.9954 5.6440 5.6146 PRESSURE: 1886600 75.4513 -21.0094 -96.6589 -21.0093 116.831 121.433 -96.6587 121.432 182.519 GPRESSURE: 1886600 22.8146 35.5058 -199.507 -7.35439 244.451 66.6261 -116.62 171.305 199.362 PRESSAVG: 1886600 -16.334 18.8237 -45.404 18.8237 -2.88433 -21.3515 -45.4039 -21.3516 -2.22933 GPRESSAVG: 1886600 -17.957 18.2595 -45.2959 20.6516 -2.00691 -20.8071 -48.0796 -20.5193 -2.0863 TIMING: 1886600 CPU: 5964.62, 0.00312668/step Wall: 5964.62, 0.00312668/step, 2.70406 hours remaining, 236.675781 MB of memory in use. ENERGY: 1886600 3968.1713 20655.4696 14463.1391 226.4018 -203636.8298 3100.7240 0.0000 0.0000 52006.7202 -109216.2038 298.8833 -161222.9240 -108860.4385 299.4562 124.9338 155.5425 762329.9340 -7.1492 -7.3501 PRESSURE: 1886800 -38.4324 -136.16 -84.4478 -136.161 -167.664 -124.597 -84.4479 -124.598 126.379 GPRESSURE: 1886800 -84.2761 -203.594 -39.2506 -100.528 -93.0259 -155.081 -130.42 -184.407 186.1 PRESSAVG: 1886800 -41.3569 -33.6363 -19.481 -33.6362 -20.7159 19.1627 -19.4811 19.1626 3.84889 GPRESSAVG: 1886800 -40.3648 -32.8349 -19.8365 -35.8327 -21.538 19.7598 -15.2496 19.5622 3.91815 TIMING: 1886800 CPU: 5965.24, 0.00312739/step Wall: 5965.24, 0.00312739/step, 2.70449 hours remaining, 236.675781 MB of memory in use. ENERGY: 1886800 4011.8123 20715.2349 14518.3844 258.6217 -202860.8065 2280.8727 0.0000 0.0000 51900.9639 -109174.9167 298.2756 -161075.8806 -108810.0036 299.3153 -26.5727 2.9328 762973.8733 -19.4080 -19.3282 PRESSURE: 1887000 -248.489 -132.955 -115.717 -132.957 -151.079 45.6866 -115.717 45.6866 -341.735 GPRESSURE: 1887000 -179.955 -123.935 -216.624 -149.205 -120.532 167.781 1.11574 -43.2297 -357.087 PRESSAVG: 1887000 2.61392 -51.4351 -4.92117 -51.435 29.8613 -29.7913 -4.92112 -29.7914 0.1235 GPRESSAVG: 1887000 3.17709 -51.4669 -4.27092 -50.4962 30.7212 -30.2886 -6.74692 -29.3319 -0.685122 TIMING: 1887000 CPU: 5965.87, 0.00314765/step Wall: 5965.87, 0.00314765/step, 2.72184 hours remaining, 236.675781 MB of memory in use. ENERGY: 1887000 4022.6571 20752.5467 14528.3242 257.7831 -202922.0943 2022.2235 0.0000 0.0000 52143.0478 -109195.5118 299.6668 -161338.5596 -108834.4070 299.8805 -247.1010 -219.1911 761908.7424 10.8662 11.0711 PRESSURE: 1887200 383.038 12.5576 133.154 12.5582 57.8287 44.0566 133.154 44.0568 166.015 GPRESSURE: 1887200 399.184 88.3667 165.139 135.052 65.054 -69.7009 51.992 211.926 227.552 PRESSAVG: 1887200 -3.79328 -58.512 -15.9489 -58.512 -55.3587 26.8336 -15.9489 26.8337 -9.62312 GPRESSAVG: 1887200 -4.47905 -60.1089 -17.7386 -57.9533 -54.7638 27.6747 -16.747 25.0031 -9.72192 TIMING: 1887200 CPU: 5966.5, 0.00313372/step Wall: 5966.5, 0.00313372/step, 2.70963 hours remaining, 236.675781 MB of memory in use. ENERGY: 1887200 4015.1881 20616.3078 14449.4962 242.9273 -203060.5108 2537.2518 0.0000 0.0000 52071.6648 -109127.6747 299.2566 -161199.3395 -108762.2157 299.8941 202.2939 230.5967 762112.8999 -22.9250 -22.9883 PRESSURE: 1887400 5.15029 -85.276 -123.105 -85.2764 71.7268 1.39087 -123.104 1.39236 146.184 GPRESSURE: 1887400 55.8603 -15.6197 -191.092 -83.1337 125.394 -33.1563 -37.066 52.0629 109.989 PRESSAVG: 1887400 29.3588 9.42565 -20.2526 9.42562 -11.8011 -41.1947 -20.2527 -41.1947 -2.1458 GPRESSAVG: 1887400 29.9047 9.56105 -17.9937 9.34341 -12.5387 -41.1697 -19.5005 -39.3282 -2.49747 TIMING: 1887400 CPU: 5967.13, 0.00313459/step Wall: 5967.13, 0.00313459/step, 2.7102 hours remaining, 236.675781 MB of memory in use. ENERGY: 1887400 4013.4223 20588.4157 14434.9350 242.9660 -203076.0279 2480.0131 0.0000 0.0000 52335.7067 -108980.5690 300.7740 -161316.2757 -108612.9796 300.3412 74.3536 97.0813 761662.6645 5.1373 4.9562 PRESSURE: 1887600 207.976 -47.9202 79.1078 -47.9212 84.0006 13.8575 79.108 13.8563 50.4276 GPRESSURE: 1887600 126.612 -96.9678 45.3464 -14.3184 82.0449 81.3423 78.4182 12.0427 182.474 PRESSAVG: 1887600 -45.8186 18.3822 -7.86592 18.3822 40.5687 36.4279 -7.86591 36.428 -24.645 GPRESSAVG: 1887600 -47.3853 17.6691 -10.8668 18.964 40.1419 35.766 -7.88111 34.0529 -22.7576 TIMING: 1887600 CPU: 5967.75, 0.00313913/step Wall: 5967.75, 0.00313913/step, 2.71395 hours remaining, 236.675781 MB of memory in use. ENERGY: 1887600 3942.0929 20526.2241 14516.1710 245.6830 -202941.7711 2466.2285 0.0000 0.0000 51913.3864 -109331.9852 298.3469 -161245.3716 -108963.9206 300.1357 114.1347 130.3769 761966.2380 -9.9649 -10.0003 PRESSURE: 1887800 251.006 -28.1222 1.34105 -28.1227 78.8284 -145.4 1.34161 -145.399 210.765 GPRESSURE: 1887800 252.426 12.934 -64.4406 -104.283 169.961 -178.577 64.8103 -87.927 209.555 PRESSAVG: 1887800 29.1705 -35.4088 12.8232 -35.4089 -30.6984 6.41359 12.8232 6.41358 0.761674 GPRESSAVG: 1887800 30.4082 -35.1389 14.1838 -36.03 -30.782 6.03614 11.1964 8.97187 -0.405779 TIMING: 1887800 CPU: 5968.38, 0.00312852/step Wall: 5968.38, 0.00312852/step, 2.70461 hours remaining, 236.675781 MB of memory in use. ENERGY: 1887800 3924.0575 20605.2665 14447.2428 251.0077 -203377.7799 2839.0971 0.0000 0.0000 52140.2449 -109170.8634 299.6507 -161311.1084 -108810.9425 299.2585 180.1999 210.6476 762814.6349 -0.2554 -0.2599 PRESSURE: 1888000 -49.5989 294.157 192.547 294.157 -146.646 -84.8741 192.545 -84.8746 165.138 GPRESSURE: 1888000 -121.59 259.418 136.009 228.821 34.5637 -43.9266 169.241 -122.902 112.026 PRESSAVG: 1888000 -2.50905 75.9735 5.17906 75.9736 -22.0264 -20.9229 5.17903 -20.9229 22.0741 GPRESSAVG: 1888000 -2.16892 76.2007 6.81104 78.0171 -21.2314 -21.2075 6.62304 -23.8639 21.5289 TIMING: 1888000 CPU: 5969.01, 0.00314379/step Wall: 5969.01, 0.00314379/step, 2.71763 hours remaining, 236.675781 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: 1888000 4086.3567 20672.4065 14448.3811 257.1450 -203288.2865 2496.2331 0.0000 0.0000 52076.4698 -109251.2943 299.2842 -161327.7641 -108891.2220 299.3854 -10.3690 8.3334 761091.5053 -0.8205 -0.6238 PRESSURE: 1888200 59.2445 -271.616 -70.6858 -271.615 -58.8161 121.926 -70.6854 121.925 176.692 GPRESSURE: 1888200 135.268 -396.507 -138.304 -232.665 -70.6095 193.938 8.68863 124.922 181.031 PRESSAVG: 1888200 13.0095 -23.5734 -6.31914 -23.5735 -34.1467 40.2193 -6.31913 40.2194 -24.5134 GPRESSAVG: 1888200 12.9889 -24.5326 -8.68033 -23.5079 -35.8068 41.8997 -6.22064 41.243 -22.9626 TIMING: 1888200 CPU: 5969.64, 0.00314494/step Wall: 5969.64, 0.00314494/step, 2.71845 hours remaining, 236.675781 MB of memory in use. ENERGY: 1888200 4064.8030 20615.1643 14473.0138 245.2695 -203464.6558 2622.5612 0.0000 0.0000 52286.2746 -109157.5695 300.4899 -161443.8441 -108796.2915 299.7615 59.0400 81.8963 761769.0628 -15.2169 -15.2602 LDB: ============= START OF LOAD BALANCING ============== 5982.17 LDB: ============== END OF LOAD BALANCING =============== 5982.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5982.17 LDB: ============= START OF LOAD BALANCING ============== 5982.49 LDB: Largest compute 7043 load 0.031661 is 16.2% of average load 0.195429 LDB: Average compute 0.004420 is 2.3% of average load 0.195429 LDB: TIME 5982.49 LOAD: AVG 0.195429 MAX 0.214813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.02 MB LDB: TIME 5982.49 LOAD: AVG 0.195429 MAX 0.214813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.09 MB LDB: TIME 5982.49 LOAD: AVG 0.195429 MAX 0.214813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.09 MB LDB: ============== END OF LOAD BALANCING =============== 5982.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5982.5 PRESSURE: 1888400 125.886 165.598 -283.374 165.598 -124.445 -96.275 -283.373 -96.2755 -307.895 GPRESSURE: 1888400 185.751 84.0828 -233.226 192.453 -108.264 -77.2434 -131.307 -98.2683 -288.287 PRESSAVG: 1888400 -20.9223 -15.687 -66.3308 -15.687 -25.0077 16.3278 -66.3309 16.3278 -6.03434 GPRESSAVG: 1888400 -19.7455 -14.4617 -64.6386 -16.0152 -24.9108 15.8252 -66.2122 16.929 -7.06946 TIMING: 1888400 CPU: 5970.28, 0.00322364/step Wall: 5970.28, 0.00322364/step, 2.7863 hours remaining, 235.105469 MB of memory in use. ENERGY: 1888400 3981.6998 20544.7658 14493.5563 270.1843 -203225.6312 2495.9770 0.0000 0.0000 52366.8863 -109072.5618 300.9532 -161439.4481 -108721.2522 300.2352 -102.1511 -70.2668 760518.0502 -17.3215 -17.2419 PRESSURE: 1888600 -166.388 -163.997 -117.892 -163.997 -130.008 82.5638 -117.891 82.5652 -470.486 GPRESSURE: 1888600 -210.984 -134.518 -71.354 -1.35173 -5.32611 81.5057 -221.367 15.7479 -440.99 PRESSAVG: 1888600 -4.20971 -12.014 -16.109 -12.0139 11.7666 -27.7271 -16.109 -27.7271 -7.61504 GPRESSAVG: 1888600 -5.00063 -10.2831 -16.5295 -10.8022 12.8016 -26.9565 -19.549 -27.3048 -7.64375 TIMING: 1888600 CPU: 5970.91, 0.00314381/step Wall: 5970.91, 0.00314381/step, 2.71713 hours remaining, 235.578125 MB of memory in use. ENERGY: 1888600 4084.7022 20618.4850 14484.1758 250.3440 -202942.7030 2358.0742 0.0000 0.0000 52335.3407 -108811.5811 300.7719 -161146.9218 -108447.4095 300.2944 -255.6276 -219.1003 762644.8054 -0.0194 0.0524 PRESSURE: 1888800 127.983 76.6991 3.03716 76.6996 170.454 -47.772 3.0369 -47.7725 -14.3409 GPRESSURE: 1888800 152.521 125.296 56.9739 100.802 203.714 -101.304 -200.82 -61.6071 11.4669 PRESSAVG: 1888800 56.9634 24.1769 -58.0847 24.1769 -13.2004 -50.9215 -58.0847 -50.9216 2.60823 GPRESSAVG: 1888800 55.8035 23.5647 -59.0851 23.0587 -13.0952 -51.002 -56.3744 -52.207 3.60132 TIMING: 1888800 CPU: 5971.54, 0.00315653/step Wall: 5971.54, 0.00315653/step, 2.72795 hours remaining, 235.578125 MB of memory in use. ENERGY: 1888800 4013.5180 20567.6643 14396.9058 264.4249 -203573.0732 3023.0385 0.0000 0.0000 52375.3061 -108932.2155 301.0016 -161307.5216 -108568.5121 300.4630 94.6989 122.5672 762360.9426 15.4571 15.4365 PRESSURE: 1889000 -159.308 -122.618 31.574 -122.618 -307.362 -195.703 31.573 -195.703 155.705 GPRESSURE: 1889000 -198.095 -155.212 -95.3095 -89.3396 -164.881 -184.675 33.9187 -115.875 124.245 PRESSAVG: 1889000 -28.9661 -0.703829 18.9181 -0.703816 40.5973 -9.30193 18.9182 -9.30188 -19.2964 GPRESSAVG: 1889000 -27.9437 -1.59631 17.3636 -0.856367 39.8772 -10.9468 20.1953 -8.19305 -19.6687 TIMING: 1889000 CPU: 5972.17, 0.00314996/step Wall: 5972.17, 0.00314996/step, 2.72209 hours remaining, 235.578125 MB of memory in use. ENERGY: 1889000 4063.8832 20732.8669 14433.1864 257.2609 -202768.0232 2309.1755 0.0000 0.0000 52165.7110 -108805.9393 299.7971 -160971.6504 -108445.8834 300.5988 -103.6551 -79.5770 763393.4433 -2.5551 -2.5784 PRESSURE: 1889200 -84.4792 173.179 -107.41 173.179 -364.394 17.28 -107.41 17.2788 -139.547 GPRESSURE: 1889200 -100.83 259.265 -81.7275 30.3197 -352.838 51.0989 14.0655 -41.5654 -50.3706 PRESSAVG: 1889200 53.4163 -58.1273 -54.7955 -58.1274 -24.1496 -67.4191 -54.7954 -67.4191 10.226 GPRESSAVG: 1889200 51.9758 -57.5097 -52.4854 -58.7171 -23.2184 -65.9978 -55.3699 -66.6027 10.7675 TIMING: 1889200 CPU: 5972.8, 0.0031454/step Wall: 5972.8, 0.0031454/step, 2.71798 hours remaining, 235.578125 MB of memory in use. ENERGY: 1889200 3983.1862 20441.6940 14493.7548 224.2628 -202974.4416 2485.8361 0.0000 0.0000 52074.3801 -109271.3276 299.2722 -161345.7077 -108904.2620 299.7772 -196.1400 -168.0130 764148.3230 13.1642 13.1750 PRESSURE: 1889400 -113.582 60.7256 -36.3655 60.7256 -77.8889 182.398 -36.3654 182.398 408.187 GPRESSURE: 1889400 -1.01024 22.0837 -11.3486 28.6146 -69.3758 198.178 -71.1921 253.239 383.589 PRESSAVG: 1889400 -33.2694 -22.6042 -19.5381 -22.6042 0.0877107 -13.6442 -19.5381 -13.6441 27.8035 GPRESSAVG: 1889400 -31.8278 -24.057 -18.7618 -20.9237 -0.655356 -12.1383 -19.4107 -15.5773 26.5232 TIMING: 1889400 CPU: 5973.43, 0.00314437/step Wall: 5973.43, 0.00314437/step, 2.71691 hours remaining, 235.578125 MB of memory in use. ENERGY: 1889400 3983.2242 20489.1023 14400.2105 233.0690 -203125.0127 2596.1707 0.0000 0.0000 52082.7446 -109340.4914 299.3202 -161423.2359 -108977.4282 299.3518 72.2389 104.4011 760149.2510 -1.7927 -1.9866 PRESSURE: 1889600 89.8947 -223.328 28.0904 -223.328 -80.5063 -64.5528 28.0909 -64.5534 -70.561 GPRESSURE: 1889600 86.9652 -244.9 74.3441 -228.739 -36.9843 -61.3002 6.3779 -84.8006 -37.6664 PRESSAVG: 1889600 44.8009 0.879351 -49.2773 0.879348 -30.5253 -8.33366 -49.2774 -8.33367 -1.82158 GPRESSAVG: 1889600 45.5463 1.51606 -49.0224 -0.504518 -31.1888 -10.4118 -48.7437 -6.39067 -2.11108 TIMING: 1889600 CPU: 5974.06, 0.00315275/step Wall: 5974.06, 0.00315275/step, 2.72397 hours remaining, 235.578125 MB of memory in use. ENERGY: 1889600 4029.5322 20598.8072 14449.4717 233.9269 -203322.0957 2432.0939 0.0000 0.0000 52165.3818 -109412.8819 299.7952 -161578.2637 -109051.3179 299.4899 -20.3909 4.1048 760225.0032 4.1513 4.0822 PRESSURE: 1889800 334.018 51.3673 72.6738 51.3676 112.775 -306.445 72.6739 -306.445 -68.0273 GPRESSURE: 1889800 312.66 112.022 66.0107 11.2528 172.232 -211.846 142.096 -229.177 -22.1934 PRESSAVG: 1889800 26.3638 -31.1678 18.6374 -31.1678 -56.6176 -42.6145 18.6374 -42.6145 8.45646 GPRESSAVG: 1889800 26.1555 -30.1872 16.7704 -30.9772 -57.1058 -41.449 19.9238 -44.6052 9.21583 TIMING: 1889800 CPU: 5974.69, 0.00316093/step Wall: 5974.69, 0.00316093/step, 2.73087 hours remaining, 235.578125 MB of memory in use. ENERGY: 1889800 3935.5892 20611.7869 14401.9571 249.7863 -203167.1364 2367.1160 0.0000 0.0000 51984.9959 -109615.9050 298.7585 -161600.9009 -109256.4206 299.1928 126.2553 154.2330 761239.7882 -7.2658 -7.2448 PRESSURE: 1890000 49.6473 -40.8884 85.9662 -40.8876 -134.774 5.30304 85.9663 5.30327 -486.772 GPRESSURE: 1890000 -3.69218 -126.529 103.728 3.87645 -38.4105 -84.904 -98.2716 166.69 -451.339 PRESSAVG: 1890000 2.43762 -45.7296 -2.63718 -45.7296 44.6642 -5.08463 -2.63722 -5.08467 -4.62703 GPRESSAVG: 1890000 1.48802 -49.0712 -3.21419 -46.2428 46.53 -7.38401 -4.12733 -3.86804 -5.19412 TIMING: 1890000 CPU: 5975.32, 0.00314114/step Wall: 5975.32, 0.00314114/step, 2.7136 hours remaining, 235.578125 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: 1890000 4032.3042 20492.2185 14458.9774 255.4059 -203532.8838 2880.7800 0.0000 0.0000 51960.6438 -109452.5540 298.6185 -161413.1977 -109085.9597 298.6186 -190.6329 -164.4806 762162.3909 14.1583 14.2746 PRESSURE: 1890200 314.529 179.893 133.476 179.894 6.7485 204.042 133.477 204.043 472.367 GPRESSURE: 1890200 335.854 76.8158 105.437 60.9344 110.85 205.126 194.656 81.251 432.951 PRESSAVG: 1890200 -21.2408 -22.3654 36.1617 -22.3654 -1.16246 3.34184 36.1617 3.34193 20.3554 GPRESSAVG: 1890200 -20.7596 -20.3695 36.7778 -21.815 -1.66107 5.51126 35.9486 1.62676 20.2456 TIMING: 1890200 CPU: 5975.95, 0.0031638/step Wall: 5975.95, 0.0031638/step, 2.733 hours remaining, 235.578125 MB of memory in use. ENERGY: 1890200 4009.8150 20463.7065 14479.3253 259.2582 -203472.1204 2741.4663 0.0000 0.0000 51965.3894 -109553.1597 298.6458 -161518.5491 -109179.5476 299.0900 264.5482 293.2185 761365.8557 -0.6826 -0.7250 PRESSURE: 1890400 -58.3168 3.23716 -51.345 3.23741 -100.495 -235.353 -51.3451 -235.354 -217.682 GPRESSURE: 1890400 -116.384 68.6186 -146.35 -98.5101 -54.771 -241.494 32.6117 -112.639 -149.055 PRESSAVG: 1890400 22.2241 6.84944 15.0553 6.84946 -3.63407 50.1441 15.0552 50.1441 -2.04602 GPRESSAVG: 1890400 20.2388 5.35048 15.8187 7.54609 -3.18569 49.7628 15.6369 51.4321 -0.338759 TIMING: 1890400 CPU: 5976.58, 0.00315341/step Wall: 5976.58, 0.00315341/step, 2.72384 hours remaining, 235.578125 MB of memory in use. ENERGY: 1890400 3997.9646 20733.3703 14464.6681 255.6223 -203357.4511 2586.2044 0.0000 0.0000 51801.1487 -109518.4728 297.7019 -161319.6214 -109151.3296 298.8995 -125.4978 -106.7366 760213.7642 5.5147 5.5714 PRESSURE: 1890600 27.7817 -113.567 -147.727 -113.566 -226.936 84.1471 -147.726 84.1486 25.9153 GPRESSURE: 1890600 112.016 -18.5979 -75.5724 -46.9894 -243.995 59.5571 -137.343 81.5609 20.1234 PRESSAVG: 1890600 37.7328 -37.7427 93.2587 -37.7427 -70.1086 19.1688 93.2587 19.1689 22.4932 GPRESSAVG: 1890600 39.7122 -36.932 92.876 -38.7706 -71.5197 18.7148 92.5337 20.0994 21.5834 TIMING: 1890600 CPU: 5977.22, 0.00316335/step Wall: 5977.22, 0.00316335/step, 2.73225 hours remaining, 235.578125 MB of memory in use. ENERGY: 1890600 3990.5402 20361.0520 14426.5329 246.5184 -203370.0758 2590.1664 0.0000 0.0000 52161.9267 -109593.3392 299.7753 -161755.2659 -109229.0376 298.7999 -57.7465 -37.2851 762932.7894 -3.2942 -3.4080 PRESSURE: 1890800 -53.5325 28.4657 248.134 28.4659 -98.4664 84.4018 248.135 84.402 -114.687 GPRESSURE: 1890800 -117.675 -68.0653 172.751 -50.9122 41.9214 4.19697 256.348 69.0479 -91.1643 PRESSAVG: 1890800 60.8471 -36.4589 9.09925 -36.4588 -83.5081 -30.265 9.09923 -30.265 15.036 GPRESSAVG: 1890800 60.6248 -34.6148 8.69528 -36.3449 -82.2604 -31.0887 8.80683 -30.3586 13.9024 TIMING: 1890800 CPU: 5977.85, 0.00316658/step Wall: 5977.85, 0.00316658/step, 2.73487 hours remaining, 235.578125 MB of memory in use. ENERGY: 1890800 3996.7697 20402.4106 14478.2144 238.9674 -203481.4084 2782.6213 0.0000 0.0000 51874.6382 -109707.7868 298.1243 -161582.4250 -109347.6304 298.7085 -88.8952 -55.6394 759767.2215 -2.5417 -2.5777 PRESSURE: 1891000 -69.7343 50.1837 -127.25 50.184 -84.3835 -232.214 -127.249 -232.215 181.518 GPRESSURE: 1891000 34.2703 31.7524 -78.1432 108.958 -27.199 -234.797 8.37428 -227.544 98.3822 PRESSAVG: 1891000 61.4823 10.5486 4.06479 10.5485 -45.6699 -41.5599 4.06484 -41.5598 -4.39123 GPRESSAVG: 1891000 60.7497 9.4645 3.10617 8.32198 -44.8838 -39.0912 5.29119 -43.1945 -4.24406 TIMING: 1891000 CPU: 5978.48, 0.00314721/step Wall: 5978.48, 0.00314721/step, 2.71797 hours remaining, 235.578125 MB of memory in use. ENERGY: 1891000 3977.4669 20391.2804 14495.8660 247.7263 -203565.9116 2710.0191 0.0000 0.0000 52078.1899 -109665.3631 299.2941 -161743.5530 -109305.7972 298.8211 9.1335 35.1511 760101.6214 3.8070 3.8739 PRESSURE: 1891200 -329.348 -10.1058 51.8316 -10.1055 -231.822 -74.531 51.8315 -74.5316 -18.1897 GPRESSURE: 1891200 -237.349 7.9394 18.6046 -174.337 -254.314 -153.623 49.8574 13.8208 -13.3623 PRESSAVG: 1891200 -12.9833 -7.69058 41.147 -7.6906 -25.1741 -25.0456 41.147 -25.0457 -1.04747 GPRESSAVG: 1891200 -11.623 -8.79829 42.2995 -3.83627 -26.0065 -24.2977 39.529 -26.7359 -1.45487 TIMING: 1891200 CPU: 5979.11, 0.00315778/step Wall: 5979.11, 0.00315778/step, 2.72692 hours remaining, 235.578125 MB of memory in use. ENERGY: 1891200 3966.8224 20378.4446 14498.8601 232.4629 -203119.7579 2208.1211 0.0000 0.0000 52003.6127 -109831.4340 298.8655 -161835.0467 -109455.4955 298.2276 -193.1197 -168.3420 762029.7667 -13.0683 -13.0281 PRESSURE: 1891400 -43.3169 -74.3183 -13.9617 -74.3186 -222.327 174.625 -13.9613 174.624 182.518 GPRESSURE: 1891400 47.2443 -52.3382 -139.643 -76.2107 -208.39 -6.21862 107.437 194.873 172.161 PRESSAVG: 1891400 -35.5347 -71.0687 33.346 -71.0687 4.00625 -36.2983 33.346 -36.2982 10.1012 GPRESSAVG: 1891400 -35.9185 -72.6697 33.2502 -70.2185 3.89464 -38.1094 35.0968 -33.42 10.5366 TIMING: 1891400 CPU: 5979.74, 0.00315462/step Wall: 5979.74, 0.00315462/step, 2.72401 hours remaining, 235.578125 MB of memory in use. ENERGY: 1891400 4021.9697 20253.5420 14442.7146 255.3890 -203557.7837 2886.1048 0.0000 0.0000 51881.1396 -109816.9239 298.1616 -161698.0635 -109452.9156 298.8222 -27.7084 3.6716 761954.4274 -7.1424 -7.1624 PRESSURE: 1891600 37.9382 -33.2273 -85.2035 -33.2271 -234.997 0.14863 -85.2038 0.148979 404.679 GPRESSURE: 1891600 -111.326 6.77822 -66.9726 49.7723 -97.7509 -14.4228 -42.0555 -52.1469 490.809 PRESSAVG: 1891600 -10.3936 -16.8005 33.3063 -16.8004 12.8392 -43.3682 33.3062 -43.3683 5.60531 GPRESSAVG: 1891600 -11.0226 -14.8425 33.9879 -20.8335 12.5109 -44.7246 32.1227 -44.2896 6.97382 TIMING: 1891600 CPU: 5980.37, 0.00315302/step Wall: 5980.37, 0.00315302/step, 2.72246 hours remaining, 235.578125 MB of memory in use. ENERGY: 1891600 3899.3913 20376.2558 14525.5580 246.3179 -203665.5385 2792.5226 0.0000 0.0000 52056.0648 -109769.4280 299.1669 -161825.4928 -109405.7805 298.2756 69.2068 93.9105 760276.4300 2.6836 2.8207 PRESSURE: 1891800 -94.9446 -147.875 -22.8636 -147.875 55.2026 -67.8202 -22.8631 -67.8215 295.133 GPRESSURE: 1891800 28.8883 -109.039 -73.0597 -123.785 55.9286 -13.5352 45.2961 -62.2644 255.293 PRESSAVG: 1891800 -36.413 -1.78465 -39.0079 -1.7846 40.2917 -4.69934 -39.0079 -4.69938 -17.3096 GPRESSAVG: 1891800 -35.9607 -0.213426 -39.5766 -0.719934 41.5325 -3.46474 -38.8831 -5.73759 -18.6414 TIMING: 1891800 CPU: 5981, 0.00315314/step Wall: 5981, 0.00315314/step, 2.72239 hours remaining, 235.578125 MB of memory in use. ENERGY: 1891800 3950.2506 20363.3470 14496.1299 256.7274 -203574.7099 2874.0570 0.0000 0.0000 51835.2431 -109798.9549 297.8979 -161634.1980 -109433.3133 298.5857 85.1305 113.3701 760336.0830 -4.4770 -4.3566 PRESSURE: 1892000 -98.2568 378.35 -188.704 378.351 -336.816 128.686 -188.704 128.686 -88.4771 GPRESSURE: 1892000 -82.1078 320.342 -152.817 277.764 -289.749 67.3954 -168.351 94.7322 -66.4374 PRESSAVG: 1892000 12.5718 12.9438 9.74157 12.9438 -6.91112 63.221 9.74157 63.221 -22.6307 GPRESSAVG: 1892000 13.7825 9.14595 8.23992 13.2542 -7.53702 63.4631 11.0807 65.745 -22.5528 TIMING: 1892000 CPU: 5981.63, 0.00315295/step Wall: 5981.63, 0.00315295/step, 2.72205 hours remaining, 235.578125 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: 1892000 3949.9040 20383.0951 14415.3085 230.3936 -203377.1370 2498.6262 0.0000 0.0000 51753.3805 -110146.4291 297.4274 -161899.8097 -109785.3750 297.5285 -174.5166 -146.0979 761814.6852 -5.6567 -5.4358 PRESSURE: 1892200 -111.486 -260.099 120.698 -260.1 -185.479 -3.62598 120.698 -3.62605 -186.584 GPRESSURE: 1892200 -150.053 -208.617 145.333 -253.05 -86.9727 -78.7253 39.2215 -12.456 -164.975 PRESSAVG: 1892200 44.4571 -21.5906 12.6292 -21.5906 -60.9461 -3.71871 12.6291 -3.71875 3.01093 GPRESSAVG: 1892200 43.8929 -17.7962 14.1469 -21.8455 -60.8591 -4.69528 10.9361 -4.91414 4.15112 TIMING: 1892200 CPU: 5982.26, 0.00313889/step Wall: 5982.26, 0.00313889/step, 2.70974 hours remaining, 235.578125 MB of memory in use. ENERGY: 1892200 4026.3846 20491.7945 14515.0834 250.9015 -203487.6364 2534.3182 0.0000 0.0000 51968.4645 -109700.6897 298.6635 -161669.1542 -109336.2038 298.1142 -161.1828 -134.0001 761324.1096 -4.4927 -4.2717 LDB: ============= START OF LOAD BALANCING ============== 5994.79 LDB: ============== END OF LOAD BALANCING =============== 5994.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5994.79 LDB: ============= START OF LOAD BALANCING ============== 5995.11 LDB: Largest compute 7043 load 0.029718 is 15.2% of average load 0.195492 LDB: Average compute 0.004398 is 2.2% of average load 0.195492 LDB: TIME 5995.11 LOAD: AVG 0.195492 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.543 MB LDB: TIME 5995.11 LOAD: AVG 0.195492 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: TIME 5995.11 LOAD: AVG 0.195492 MAX 0.213433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: ============== END OF LOAD BALANCING =============== 5995.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5995.12 PRESSURE: 1892400 367.019 -173.989 -102.785 -173.989 3.91022 22.6167 -102.784 22.6162 152.643 GPRESSURE: 1892400 412.909 -148.454 -122.057 -143.126 46.6224 3.61078 -12.9892 108.141 159.31 PRESSAVG: 1892400 11.8474 -119.218 -22.7484 -119.218 40.9744 33.6558 -22.7484 33.6558 -9.60766 GPRESSAVG: 1892400 11.8717 -120.678 -23.4159 -118.395 40.4427 34.5833 -20.6423 34.0383 -9.82672 TIMING: 1892400 CPU: 5982.9, 0.00321025/step Wall: 5982.9, 0.00321025/step, 2.77116 hours remaining, 235.652344 MB of memory in use. ENERGY: 1892400 3906.2218 20618.2239 14524.9567 239.5867 -203755.2830 2765.6593 0.0000 0.0000 51970.4019 -109730.2327 298.6746 -161700.6347 -109358.8173 298.4005 174.5240 206.2802 761485.0666 14.4047 14.1626 PRESSURE: 1892600 -245 -72.3325 141.057 -72.3327 -23.8309 -147.507 141.058 -147.509 -208.19 GPRESSURE: 1892600 -188.203 -138.465 130.481 -89.1968 8.36741 -110.843 155.337 -107.763 -219.684 PRESSAVG: 1892600 50.5107 -91.3381 -18.0099 -91.3381 -43.6708 55.1642 -18.01 55.1642 -9.53141 GPRESSAVG: 1892600 49.5396 -90.8587 -17.5682 -89.7096 -42.6385 54.5458 -18.286 56.0885 -9.64442 TIMING: 1892600 CPU: 5983.53, 0.00314343/step Wall: 5983.53, 0.00314343/step, 2.71331 hours remaining, 235.925781 MB of memory in use. ENERGY: 1892600 4018.3343 20622.5743 14458.6258 256.0136 -203425.1721 2566.3823 0.0000 0.0000 51889.2132 -109614.0286 298.2080 -161503.2418 -109244.2590 298.7248 -159.0070 -133.1732 761886.3612 -0.8971 -0.9145 PRESSURE: 1892800 -57.1128 -103.613 147.157 -103.613 -115.806 -80.3254 147.157 -80.325 -382.238 GPRESSURE: 1892800 33.6337 -23.8286 124.626 -80.1715 -166.06 -123.718 26.8034 14.0294 -349.307 PRESSAVG: 1892800 -21.1647 -69.3127 11.0868 -69.3127 36.0916 79.2721 11.0868 79.272 9.45862 GPRESSAVG: 1892800 -18.8945 -68.9975 10.2719 -71.1607 34.886 79.4831 9.51289 77.7604 9.17313 TIMING: 1892800 CPU: 5984.16, 0.00313688/step Wall: 5984.16, 0.00313688/step, 2.70748 hours remaining, 235.925781 MB of memory in use. ENERGY: 1892800 4006.6317 20509.6688 14528.2902 214.8212 -203983.0181 2807.2374 0.0000 0.0000 52141.3707 -109774.9980 299.6572 -161916.3687 -109425.3017 299.0904 -185.0521 -160.5775 759767.4524 8.1285 8.3882 PRESSURE: 1893000 -379.268 -6.04497 -15.1644 -6.04351 -273.966 151.495 -15.1651 151.494 -92.0364 GPRESSURE: 1893000 -293.712 -101.586 -12.0107 -11.7932 -192.711 22.2807 38.8293 10.4492 -156.901 PRESSAVG: 1893000 9.9896 -38.3158 20.0521 -38.3157 -15.035 44.5943 20.0521 44.5943 -11.9082 GPRESSAVG: 1893000 9.61179 -39.2852 18.9564 -35.3371 -15.1381 44.5203 20.4471 43.6146 -11.531 TIMING: 1893000 CPU: 5984.79, 0.00313623/step Wall: 5984.79, 0.00313623/step, 2.70674 hours remaining, 235.914062 MB of memory in use. ENERGY: 1893000 4062.7408 20486.7166 14418.8508 235.2544 -203559.5427 2519.1988 0.0000 0.0000 52041.3160 -109795.4654 299.0822 -161836.7814 -109430.5274 298.9238 -248.4233 -214.4415 761281.8888 -5.6512 -5.6857 PRESSURE: 1893200 -84.1892 -32.2427 -41.9539 -32.244 51.5678 202.719 -41.9541 202.719 -480.631 GPRESSURE: 1893200 8.09571 -26.5549 -63.7321 -130.841 61.8924 232.578 -4.43764 185.893 -509.995 PRESSAVG: 1893200 41.1341 -68.8912 40.4402 -68.8913 -30.8797 4.38238 40.4403 4.3825 -5.07071 GPRESSAVG: 1893200 39.8685 -67.6744 41.9925 -72.1643 -29.3842 6.21038 40.4095 5.32498 -5.13267 TIMING: 1893200 CPU: 5985.41, 0.00313294/step Wall: 5985.41, 0.00313294/step, 2.70373 hours remaining, 235.914062 MB of memory in use. ENERGY: 1893200 3904.0813 20456.7173 14500.3860 263.8023 -203573.4348 2493.1475 0.0000 0.0000 52229.8016 -109725.4990 300.1654 -161955.3005 -109343.9494 299.0670 -171.0841 -146.6689 761309.7113 1.7279 1.7839 PRESSURE: 1893400 177.6 -233.923 -83.9583 -233.923 -128.689 -109.123 -83.9583 -109.122 -103.925 GPRESSURE: 1893400 208.685 -178.946 -181.657 -195.996 -70.7902 -65.5151 -83.5128 29.0048 -130.197 PRESSAVG: 1893400 48.5326 -31.9228 22.1962 -31.9228 -70.6144 71.8684 22.1961 71.8684 2.38736 GPRESSAVG: 1893400 49.1644 -34.4345 23.4374 -30.2142 -72.0283 68.2422 20.5307 72.6646 2.63943 TIMING: 1893400 CPU: 5986.04, 0.00313328/step Wall: 5986.04, 0.00313328/step, 2.70385 hours remaining, 235.925781 MB of memory in use. ENERGY: 1893400 3963.8252 20602.7217 14485.4692 242.0898 -203828.7907 2615.7361 0.0000 0.0000 52149.9987 -109768.9498 299.7068 -161918.9486 -109404.8055 298.6392 -18.3379 2.5659 760981.3640 -6.5648 -6.7415 PRESSURE: 1893600 92.7143 165.794 151.384 165.795 -1.32233 65.5633 151.384 65.563 -48.7092 GPRESSURE: 1893600 203.45 86.767 93.6591 272.108 -11.1305 104.863 273.266 5.42382 -55.2694 PRESSAVG: 1893600 6.70691 -12.5368 -31.8308 -12.5368 -27.1928 24.0959 -31.8308 24.0958 -5.07034 GPRESSAVG: 1893600 6.21883 -12.4499 -34.3381 -12.8738 -27.0841 25.6781 -29.3566 22.4716 -4.89004 TIMING: 1893600 CPU: 5986.67, 0.00314664/step Wall: 5986.67, 0.00314664/step, 2.7152 hours remaining, 235.925781 MB of memory in use. ENERGY: 1893600 3980.1039 20500.6539 14546.7057 253.3784 -203727.5017 2706.6978 0.0000 0.0000 52212.5156 -109527.4464 300.0660 -161739.9620 -109159.0834 299.3000 14.2276 45.6835 759206.2828 -8.5188 -8.5851 PRESSURE: 1893800 -5.68357 93.0075 -215.837 93.0074 97.5911 34.1548 -215.838 34.1539 153.834 GPRESSURE: 1893800 50.7371 65.6352 -113.919 113.855 135.791 40.3885 -119.057 85.7253 144.414 PRESSAVG: 1893800 -26.4935 -49.246 -3.69769 -49.2461 33.538 16.3411 -3.69766 16.341 6.86574 GPRESSAVG: 1893800 -26.0851 -48.2315 -3.24636 -49.0157 34.4622 17.6453 -4.03813 17.55 5.46347 TIMING: 1893800 CPU: 5987.3, 0.00312609/step Wall: 5987.3, 0.00312609/step, 2.69729 hours remaining, 235.925781 MB of memory in use. ENERGY: 1893800 4072.5785 20558.7706 14375.8777 242.8599 -203471.7242 2824.1098 0.0000 0.0000 51893.0778 -109504.4498 298.2302 -161397.5276 -109140.0562 299.4083 81.9138 110.3142 761371.5369 4.6368 4.6135 PRESSURE: 1894000 -82.6049 11.0838 81.4544 11.0841 -327.712 -184.313 81.4542 -184.313 -22.5824 GPRESSURE: 1894000 -72.3799 -6.08938 62.3307 4.6975 -260.571 -204.489 70.8243 -127.847 -25.8614 PRESSAVG: 1894000 5.81741 -7.32778 11.2835 -7.32778 -0.33787 39.6883 11.2835 39.6883 -5.04611 GPRESSAVG: 1894000 5.47467 -7.29091 11.9267 -8.88129 -0.597871 38.3718 11.9318 38.0946 -4.88262 TIMING: 1894000 CPU: 5987.92, 0.00312955/step Wall: 5987.92, 0.00312955/step, 2.70011 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: 1894000 4038.7396 20624.4363 14467.8859 247.7408 -203024.9666 2451.0173 0.0000 0.0000 51903.1474 -109291.9993 298.2881 -161195.1467 -108932.5129 299.4546 -144.2996 -119.6042 762886.3894 0.1445 -0.0019 PRESSURE: 1894200 71.8023 -62.4156 -128.862 -62.4152 -63.2768 -269.722 -128.863 -269.722 228.187 GPRESSURE: 1894200 111.533 74.412 -64.9681 11.824 -45.3293 -172.622 -67.1851 -274.063 269.184 PRESSAVG: 1894200 35.4891 16.2873 23.8816 16.2873 -52.3396 -2.24587 23.8815 -2.24592 1.07439 GPRESSAVG: 1894200 34.2142 15.0826 22.9914 18.5128 -52.5647 -3.78792 22.6997 -0.100447 2.52472 TIMING: 1894200 CPU: 5988.55, 0.00315306/step Wall: 5988.55, 0.00315306/step, 2.72021 hours remaining, 235.914062 MB of memory in use. ENERGY: 1894200 3949.1629 20658.3420 14489.2037 252.3992 -203202.4949 2624.8743 0.0000 0.0000 51978.1924 -109250.3203 298.7194 -161228.5127 -108904.5492 299.2177 78.9043 111.7961 762382.5801 -5.2587 -5.2753 PRESSURE: 1894400 -18.741 -223.215 -34.655 -223.216 272.928 70.8893 -34.6543 70.8897 644.27 GPRESSURE: 1894400 45.0815 -208.462 -57.6371 -292.833 263.148 164.07 74.9379 93.4722 679.305 PRESSAVG: 1894400 16.2631 -10.1602 19.989 -10.1603 -27.359 -32.3527 19.989 -32.3527 6.37223 GPRESSAVG: 1894400 16.445 -7.84082 21.7778 -12.3898 -26.7417 -29.6274 19.6345 -34.5728 6.09028 TIMING: 1894400 CPU: 5989.18, 0.00314696/step Wall: 5989.18, 0.00314696/step, 2.71478 hours remaining, 235.914062 MB of memory in use. ENERGY: 1894400 3984.4668 20428.9242 14478.1204 240.0174 -203449.4534 2869.9637 0.0000 0.0000 52098.5410 -109349.4199 299.4110 -161447.9608 -108987.5786 299.7524 299.4856 329.1779 758404.2509 -1.5746 -1.4021 PRESSURE: 1894600 198.533 216.937 287.64 216.936 -257.215 -81.3843 287.64 -81.3834 -325.374 GPRESSURE: 1894600 174.332 203.007 248.788 85.7713 -179.588 -196.184 354.707 -14.1221 -310.226 PRESSAVG: 1894600 9.11671 10.7413 25.166 10.7413 7.72259 17.9213 25.166 17.9214 6.47596 GPRESSAVG: 1894600 9.75962 10.0433 24.1512 11.2991 8.20062 16.863 26.6515 19.6746 5.46059 TIMING: 1894600 CPU: 5989.81, 0.00314694/step Wall: 5989.81, 0.00314694/step, 2.71459 hours remaining, 235.914062 MB of memory in use. ENERGY: 1894600 3961.6398 20379.2274 14433.1670 231.5295 -203303.0031 2709.0696 0.0000 0.0000 52269.6853 -109318.6844 300.3946 -161588.3697 -108941.5906 299.6727 -128.0183 -105.1607 762263.2563 7.7718 7.8069 PRESSURE: 1894800 -96.8073 54.3793 32.3657 54.3799 -327.014 133.242 32.3652 133.242 -113.558 GPRESSURE: 1894800 -69.3809 133.825 -73.7478 13.7742 -228.345 138.35 94.8447 150.027 -152.149 PRESSAVG: 1894800 18.9717 11.2598 60.6661 11.2597 -51.0993 43.2885 60.6661 43.2885 -13.4754 GPRESSAVG: 1894800 18.1123 11.8213 60.5255 10.8587 -51.1119 43.0235 58.6673 40.7715 -12.2375 TIMING: 1894800 CPU: 5990.44, 0.00314901/step Wall: 5990.44, 0.00314901/step, 2.7162 hours remaining, 235.914062 MB of memory in use. ENERGY: 1894800 3995.0672 20388.0642 14459.5604 252.3468 -203274.1638 2621.7010 0.0000 0.0000 52079.9205 -109477.5037 299.3040 -161557.4242 -109114.0899 299.2675 -179.1264 -149.9583 761975.6479 -15.2010 -15.0790 PRESSURE: 1895000 43.0885 -139.512 20.3267 -139.512 -241.048 135.857 20.3267 135.856 18.4973 GPRESSURE: 1895000 28.3825 -67.6164 -0.353636 -196.937 -196.084 88.3816 -6.55402 177.406 59.4369 PRESSAVG: 1895000 8.74435 -25.335 -21.6525 -25.335 -10.87 41.4157 -21.6526 41.4157 -13.4704 GPRESSAVG: 1895000 9.00705 -24.8966 -21.5108 -26.0603 -11.0793 40.2474 -21.0198 43.387 -13.7385 TIMING: 1895000 CPU: 5991.07, 0.00315584/step Wall: 5991.07, 0.00315584/step, 2.72191 hours remaining, 235.914062 MB of memory in use. ENERGY: 1895000 4054.0760 20572.7939 14499.2327 253.6680 -203491.4766 2813.3210 0.0000 0.0000 51761.0736 -109537.3114 297.4716 -161298.3850 -109190.4324 298.6511 -59.8209 -36.0883 762277.6271 -5.1987 -5.2703 PRESSURE: 1895200 -647.803 94.4696 124.077 94.4682 -178.821 191.817 124.077 191.817 -463.802 GPRESSURE: 1895200 -616.02 -104.555 99.1314 109.482 -159.169 139.185 89.6714 70.4127 -435.993 PRESSAVG: 1895200 12.7253 -9.55915 -4.45194 -9.55917 -71.6087 -27.2781 -4.45195 -27.2782 -9.52585 GPRESSAVG: 1895200 11.4041 -10.4987 -5.84805 -8.3075 -71.6112 -27.6697 -3.09094 -25.3765 -8.06526 TIMING: 1895200 CPU: 5991.7, 0.00313662/step Wall: 5991.7, 0.00313662/step, 2.70516 hours remaining, 235.914062 MB of memory in use. ENERGY: 1895200 4018.6492 20502.2746 14536.8951 251.0414 -203215.1674 2416.0350 0.0000 0.0000 52290.5897 -109199.6823 300.5147 -161490.2720 -108840.7826 299.3525 -430.1419 -403.7275 762962.7967 -22.8031 -22.7575 PRESSURE: 1895400 82.6606 -76.0919 13.9269 -76.0939 -136.958 -290.746 13.9265 -290.746 190.261 GPRESSURE: 1895400 144.676 -55.8567 -12.0972 -41.967 -125.014 -212.149 9.846 -278.476 194.98 PRESSAVG: 1895400 -16.0286 -25.4697 -34.76 -25.4697 4.66974 -28.701 -34.7599 -28.701 -6.46177 GPRESSAVG: 1895400 -13.8313 -26.7339 -33.0788 -25.9587 3.57393 -27.6152 -35.5024 -29.4629 -7.48501 TIMING: 1895400 CPU: 5992.33, 0.0031396/step Wall: 5992.33, 0.0031396/step, 2.70756 hours remaining, 235.914062 MB of memory in use. ENERGY: 1895400 3966.4806 20646.0505 14509.6019 248.8266 -202947.3483 2575.9777 0.0000 0.0000 51860.1298 -109140.2811 298.0409 -161000.4109 -108785.3886 299.5532 45.3213 71.5471 762143.8388 -5.9402 -5.9141 PRESSURE: 1895600 110.825 -162.08 141.121 -162.079 -476.764 54.0108 141.121 54.0111 171.151 GPRESSURE: 1895600 83.9974 -169.512 120.821 -133.086 -323.442 105.984 144.336 16.3424 124.634 PRESSAVG: 1895600 9.16642 -58.7669 -15.2267 -58.7669 -36.568 3.88132 -15.2267 3.88143 8.97157 GPRESSAVG: 1895600 9.02551 -58.0844 -16.874 -58.4495 -35.737 4.9203 -12.8193 4.74923 8.25488 TIMING: 1895600 CPU: 5992.96, 0.0031493/step Wall: 5992.96, 0.0031493/step, 2.71575 hours remaining, 235.914062 MB of memory in use. ENERGY: 1895600 3978.9357 20391.0198 14529.1427 246.1611 -202867.6055 2502.7772 0.0000 0.0000 52332.9981 -108886.5708 300.7585 -161219.5689 -108516.0296 299.9830 -64.9293 -38.2701 762551.6080 -6.1433 -6.1522 PRESSURE: 1895800 200.314 89.0791 -60.9681 89.0798 143.403 -44.4857 -60.9686 -44.4862 270.952 GPRESSURE: 1895800 296.221 76.3909 38.6575 102.547 125.561 27.7619 -48.4512 -145.34 266.997 PRESSAVG: 1895800 12.1465 38.7657 -3.11949 38.7658 -25.8063 -7.90076 -3.11952 -7.90068 10.5019 GPRESSAVG: 1895800 11.3476 38.7058 -1.45979 37.9164 -26.8739 -7.77064 -5.20023 -9.55052 11.9931 TIMING: 1895800 CPU: 5993.58, 0.00314123/step Wall: 5993.58, 0.00314123/step, 2.70861 hours remaining, 235.914062 MB of memory in use. ENERGY: 1895800 4000.5446 20721.6573 14566.7630 271.6677 -203144.4149 2631.7635 0.0000 0.0000 52265.2568 -108686.7619 300.3691 -160952.0187 -108330.2415 300.5035 204.8897 229.5928 760758.3045 -1.0526 -1.1778 PRESSURE: 1896000 -97.5237 216.583 -48.308 216.582 -125.257 62.1268 -48.3077 62.1274 -69.2977 GPRESSURE: 1896000 -3.96144 160.284 -122.79 153.498 -224.165 12.1686 -30.2462 92.7075 4.7109 PRESSAVG: 1896000 3.42372 30.2539 0.295485 30.2539 33.5864 40.451 0.295451 40.451 -1.4933 GPRESSAVG: 1896000 3.23604 27.926 -1.46667 30.9438 34.5194 39.9526 1.77342 40.6581 -2.24792 TIMING: 1896000 CPU: 5994.22, 0.00315553/step Wall: 5994.22, 0.00315553/step, 2.72077 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: 1896000 4017.7055 20695.7406 14545.5406 252.0897 -203247.4626 2806.7721 0.0000 0.0000 52318.4493 -108611.1647 300.6748 -160929.6140 -108254.3026 300.6871 -97.3593 -74.4718 762057.0766 11.8389 11.8358 PRESSURE: 1896200 -138.987 -112.013 -144.602 -112.013 -121.647 133.012 -144.601 133.011 410.832 GPRESSURE: 1896200 -111.708 16.8297 -129.544 -12.5824 -95.2884 112.315 -115.104 32.2962 451.43 PRESSAVG: 1896200 12.6095 49.3419 -51.1464 49.3419 9.17717 18.6843 -51.1464 18.6843 1.20309 GPRESSAVG: 1896200 13.198 53.4791 -49.3367 48.2174 8.95345 19.4609 -53.6718 16.8972 0.838773 TIMING: 1896200 CPU: 5994.84, 0.00313898/step Wall: 5994.84, 0.00313898/step, 2.70632 hours remaining, 235.914062 MB of memory in use. ENERGY: 1896200 3978.0782 20594.0321 14597.2678 268.5656 -203209.2542 2617.4315 0.0000 0.0000 52434.6164 -108719.2626 301.3425 -161153.8790 -108352.4486 300.7598 50.0662 81.4777 761288.3385 7.6633 7.6634 LDB: ============= START OF LOAD BALANCING ============== 6007.37 LDB: ============== END OF LOAD BALANCING =============== 6007.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6007.38 LDB: ============= START OF LOAD BALANCING ============== 6007.69 LDB: Largest compute 7050 load 0.029625 is 15.2% of average load 0.195481 LDB: Average compute 0.004399 is 2.3% of average load 0.195481 LDB: TIME 6007.69 LOAD: AVG 0.195481 MAX 0.213862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 6007.69 LOAD: AVG 0.195481 MAX 0.213862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 6007.69 LOAD: AVG 0.195481 MAX 0.213862 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 6007.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6007.7 PRESSURE: 1896400 34.5432 -281.985 -152.462 -281.986 -360.624 -158.086 -152.463 -158.085 79.9383 GPRESSURE: 1896400 46.5193 -172.473 -214.11 -230.614 -300.453 -76.1371 -137.348 -99.6231 89.1307 PRESSAVG: 1896400 -3.61201 34.9218 -29.7351 34.9218 6.67592 31.3206 -29.7351 31.3206 28.8369 GPRESSAVG: 1896400 -4.32712 34.7033 -31.0505 35.8481 6.97879 30.7561 -26.8435 30.4321 29.1579 TIMING: 1896400 CPU: 5995.48, 0.00320279/step Wall: 5995.48, 0.00320279/step, 2.76116 hours remaining, 235.707031 MB of memory in use. ENERGY: 1896400 3997.7478 20680.7558 14468.5905 266.5798 -202987.9092 2446.6263 0.0000 0.0000 52009.6986 -109117.9103 298.9005 -161127.6089 -108759.3456 299.8567 -82.0473 -54.9342 762192.2811 10.6336 10.6032 PRESSURE: 1896600 -10.5152 -57.4867 52.4661 -57.4862 51.7493 -11.9635 52.465 -11.964 -456.818 GPRESSURE: 1896600 -112.482 23.2295 28.0474 -4.93797 47.0584 12.3674 139.439 2.93609 -270.7 PRESSAVG: 1896600 -26.5352 9.82123 19.1419 9.82119 -2.56354 -22.0805 19.1419 -22.0805 -9.79133 GPRESSAVG: 1896600 -26.4241 8.68541 20.3492 8.98277 -2.76799 -21.9179 17.3779 -17.9889 -9.53174 TIMING: 1896600 CPU: 5996.11, 0.00313313/step Wall: 5996.11, 0.00313313/step, 2.70093 hours remaining, 235.910156 MB of memory in use. ENERGY: 1896600 3999.3323 20662.2371 14419.6272 256.4359 -203255.2448 2628.9480 0.0000 0.0000 52122.2589 -109166.4054 299.5473 -161288.6643 -108802.8657 299.4350 -138.5279 -112.0411 762600.5598 -12.9633 -12.9079 PRESSURE: 1896800 -49.5445 97.1271 -91.7329 97.1272 -180.716 -140.876 -91.7327 -140.874 20.9355 GPRESSURE: 1896800 -23.9514 18.8033 -129.386 176.46 -215.336 -87.7089 -49.047 -82.0919 110.825 PRESSAVG: 1896800 17.8892 -27.5135 23.5156 -27.5135 -34.1351 -49.807 23.5156 -49.8069 -5.68239 GPRESSAVG: 1896800 18.3236 -30.2882 23.5524 -25.0321 -34.481 -50.4631 23.7434 -51.9391 -6.31147 TIMING: 1896800 CPU: 5996.74, 0.00313799/step Wall: 5996.74, 0.00313799/step, 2.70495 hours remaining, 235.910156 MB of memory in use. ENERGY: 1896800 3989.1403 20610.3830 14525.9919 249.0327 -203480.7722 2835.7970 0.0000 0.0000 52138.7261 -109131.7012 299.6420 -161270.4273 -108769.8108 299.6567 -69.7751 -42.8210 762038.9296 -7.3094 -7.4896 PRESSURE: 1897000 -314.416 -152.716 -221.944 -152.717 -398.23 128.483 -221.945 128.483 230.31 GPRESSURE: 1897000 -268.697 -167.048 -312.404 -120.392 -320.935 28.0333 -180.785 109.757 183.729 PRESSAVG: 1897000 60.3171 -3.11271 -5.52712 -3.1127 -32.9282 29.335 -5.52706 29.335 -2.19807 GPRESSAVG: 1897000 59.5021 -2.53162 -7.19084 -3.20686 -31.3653 29.1581 -4.63847 28.9705 -2.80517 TIMING: 1897000 CPU: 5997.36, 0.00313128/step Wall: 5997.36, 0.00313128/step, 2.69899 hours remaining, 235.910156 MB of memory in use. ENERGY: 1897000 3991.6767 20689.1912 14500.1888 248.8715 -202797.9279 2463.1210 0.0000 0.0000 51921.9301 -108982.9485 298.3960 -160904.8786 -108624.0671 300.1188 -160.7787 -135.3010 763318.2842 8.3969 8.4439 PRESSURE: 1897200 -147.73 14.2822 -138.689 14.2821 -99.1979 -140.589 -138.69 -140.59 -270.024 GPRESSURE: 1897200 -55.6185 56.4805 -233.661 -24.5491 -103.83 -122.827 86.8092 -126.268 -253.296 PRESSAVG: 1897200 35.5754 19.8919 -3.66008 19.8919 -26.8276 -15.3864 -3.66008 -15.3864 -11.0717 GPRESSAVG: 1897200 37.3378 19.8415 -1.69174 18.6246 -29.1922 -15.4799 -4.22913 -14.8863 -10.4509 TIMING: 1897200 CPU: 5997.99, 0.00313109/step Wall: 5997.99, 0.00313109/step, 2.69865 hours remaining, 235.910156 MB of memory in use. ENERGY: 1897200 4112.3617 20513.9003 14521.4763 262.1246 -202994.6733 2620.6313 0.0000 0.0000 52090.6385 -108873.5405 299.3656 -160964.1791 -108515.0813 300.3459 -172.3175 -137.5813 761908.1792 -0.7746 -0.7684 PRESSURE: 1897400 241.191 59.3978 299.884 59.3971 -61.6344 -172.717 299.885 -172.716 141.421 GPRESSURE: 1897400 227.35 -27.6061 282.192 -37.3935 57.1243 -247.77 219.896 -183.215 118.834 PRESSAVG: 1897400 -34.55 -3.70049 9.75322 -3.70051 52.1954 -43.7932 9.75324 -43.7932 -6.10739 GPRESSAVG: 1897400 -34.1227 -5.32703 9.28985 -3.51801 52.9625 -43.914 9.64554 -43.8782 -7.51731 TIMING: 1897400 CPU: 5998.62, 0.00315525/step Wall: 5998.62, 0.00315525/step, 2.7193 hours remaining, 235.910156 MB of memory in use. ENERGY: 1897400 3972.5641 20552.7763 14475.8241 252.3304 -202825.2865 2575.3213 0.0000 0.0000 52037.7723 -108958.6980 299.0618 -160996.4703 -108594.8722 300.4181 106.9925 134.4363 762527.2451 3.8460 3.7742 PRESSURE: 1897600 42.6452 118.532 -95.0237 118.533 -151.814 -157.37 -95.0232 -157.371 -137.657 GPRESSURE: 1897600 42.5687 66.9702 -66.012 106.492 -41.4999 -223.515 -23.1634 -45.9456 -147.301 PRESSAVG: 1897600 -5.78324 10.9418 -24.0133 10.9417 11.6348 -15.7129 -24.0132 -15.7129 -3.99857 GPRESSAVG: 1897600 -8.1338 13.7938 -24.6423 10.0612 11.7331 -15.4617 -23.7664 -15.447 -1.66052 TIMING: 1897600 CPU: 5999.25, 0.00313808/step Wall: 5999.25, 0.00313808/step, 2.70433 hours remaining, 235.910156 MB of memory in use. ENERGY: 1897600 4130.9775 20428.9079 14511.5806 241.8243 -202904.9272 2510.7178 0.0000 0.0000 52202.0074 -108878.9118 300.0057 -161080.9192 -108509.7963 299.9797 -82.2752 -48.7441 763162.0431 0.6177 0.6463 PRESSURE: 1897800 40.0854 158.915 -143.262 158.915 19.7653 -3.78788 -143.261 -3.78698 -116.696 GPRESSURE: 1897800 79.6107 79.2306 -131.812 171.843 86.0155 12.3239 -34.2494 -117.105 -124.18 PRESSAVG: 1897800 -38.8046 -1.27779 -29.4816 -1.27773 49.6792 -35.2607 -29.4816 -35.2607 -0.0930375 GPRESSAVG: 1897800 -38.2469 -2.09069 -29.8266 -1.57265 51.1259 -35.7969 -30.3395 -35.6654 -1.35573 TIMING: 1897800 CPU: 5999.88, 0.00314116/step Wall: 5999.88, 0.00314116/step, 2.70681 hours remaining, 235.910156 MB of memory in use. ENERGY: 1897800 4055.0259 20538.1533 14508.9894 241.1743 -203254.8350 2671.6337 0.0000 0.0000 52251.8832 -108987.9752 300.2923 -161239.8584 -108627.8668 300.0015 -18.9484 13.8155 761280.9737 3.5938 3.8411 PRESSURE: 1898000 152.797 2.42052 -22.0683 2.42075 -121.233 158.116 -22.0691 158.116 -161.329 GPRESSURE: 1898000 46.7894 1.24947 -39.591 210.13 10.9098 194.094 -28.0839 36.3241 -104.297 PRESSAVG: 1898000 -56.9167 -12.3093 -35.726 -12.3093 74.2655 11.6761 -35.7261 11.6762 -17.2444 GPRESSAVG: 1898000 -57.672 -12.8032 -34.41 -11.7664 72.7208 11.4586 -36.0587 11.4416 -15.9531 TIMING: 1898000 CPU: 6000.51, 0.00314993/step Wall: 6000.51, 0.00314993/step, 2.71419 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: 1898000 4003.6604 20475.7314 14488.4335 241.1271 -203083.8521 2507.4011 0.0000 0.0000 52507.9714 -108859.5273 301.7640 -161367.4987 -108480.4621 300.0711 -43.2551 -15.5328 760982.2865 0.0348 -0.3014 PRESSURE: 1898200 -353.562 -58.0101 -49.8654 -58.0098 -125.348 66.1118 -49.8657 66.1118 -258.272 GPRESSURE: 1898200 -188.838 -65.5599 -64.4343 -32.7086 -238.412 127.286 122.766 113.768 -223.261 PRESSAVG: 1898200 17.1629 9.48955 -38.9389 9.48954 -25.5896 12.1543 -38.9389 12.1543 8.15415 GPRESSAVG: 1898200 18.0265 10.5152 -39.2259 10.7158 -25.804 12.2677 -37.5541 14.4952 7.6328 TIMING: 1898200 CPU: 6001.14, 0.0031496/step Wall: 6001.14, 0.0031496/step, 2.71373 hours remaining, 235.910156 MB of memory in use. ENERGY: 1898200 3969.6628 20571.1126 14557.0329 258.7709 -202812.9723 2319.0492 0.0000 0.0000 52299.7055 -108837.6383 300.5671 -161137.3439 -108478.2282 300.1273 -245.7275 -216.8369 763408.0916 -0.0908 -0.0482 PRESSURE: 1898400 -457.522 -249.192 137.13 -249.192 -189.428 163.016 137.13 163.017 -245.539 GPRESSURE: 1898400 -398.655 -131.568 120.462 -271.782 -163.179 188.498 -7.71027 85.6182 -254.687 PRESSAVG: 1898400 -26.1507 17.8592 48.7283 17.8591 -15.8579 -39.4805 48.7283 -39.4805 -17.4052 GPRESSAVG: 1898400 -26.2177 16.9049 49.6171 16.1673 -14.3691 -37.8386 48.9478 -40.7145 -18.3466 TIMING: 1898400 CPU: 6001.77, 0.00313586/step Wall: 6001.77, 0.00313586/step, 2.70171 hours remaining, 235.910156 MB of memory in use. ENERGY: 1898400 4086.2050 20453.6132 14458.5121 259.2021 -203163.1438 2637.4258 0.0000 0.0000 52426.6640 -108841.5216 301.2968 -161268.1856 -108477.6984 300.0779 -297.4964 -272.1734 763484.2450 -19.8046 -19.6445 PRESSURE: 1898600 172.166 9.37669 -80.1425 9.37588 -105.861 93.8283 -80.1421 93.8274 379.433 GPRESSURE: 1898600 97.7919 27.4587 -89.6314 3.23078 4.77044 34.2682 -71.3616 91.9217 412.328 PRESSAVG: 1898600 -36.8321 -5.48164 14.5117 -5.48167 27.7773 3.91473 14.5117 3.91471 1.86763 GPRESSAVG: 1898600 -37.3353 -5.09932 14.8428 -2.91313 27.8919 1.26635 12.8517 5.18794 2.34529 TIMING: 1898600 CPU: 6002.39, 0.00314176/step Wall: 6002.39, 0.00314176/step, 2.70663 hours remaining, 235.910156 MB of memory in use. ENERGY: 1898600 3970.5324 20484.3577 14433.8538 237.9079 -203077.1252 2616.6004 0.0000 0.0000 52099.4705 -109234.4026 299.4164 -161333.8731 -108881.1145 299.8842 148.5791 171.6302 762931.3871 -2.3957 -2.3660 PRESSURE: 1898800 107.989 -305.855 -51.8719 -305.855 166.292 34.278 -51.8721 34.2777 334.2 GPRESSURE: 1898800 169.864 -166.713 -103.95 -241.125 186.501 6.17967 51.8839 44.2241 301.057 PRESSAVG: 1898800 24.4276 17.0921 18.4578 17.0922 33.9774 3.2942 18.4577 3.2941 9.95962 GPRESSAVG: 1898800 25.5222 19.5962 17.95 14.612 32.0988 5.30609 19.916 -1.87866 10.8565 TIMING: 1898800 CPU: 6003.02, 0.00313/step Wall: 6003.02, 0.00313/step, 2.69632 hours remaining, 235.910156 MB of memory in use. ENERGY: 1898800 3975.5638 20537.6603 14457.2999 260.4474 -203279.9064 2824.6930 0.0000 0.0000 51933.7269 -109290.5151 298.4638 -161224.2420 -108930.7792 299.1107 202.8270 219.1408 762705.0129 22.7882 22.8259 PRESSURE: 1899000 208.74 -3.84558 91.6428 -3.8449 -271.307 3.84422 91.6428 3.84396 -260.668 GPRESSURE: 1899000 268.364 -29.4489 -4.62671 81.1205 -217.815 3.45593 198.63 -120.433 -280.14 PRESSAVG: 1899000 -47.7963 -9.1551 -19.7338 -9.15505 27.2381 -17.1647 -19.7338 -17.1647 14.2704 GPRESSAVG: 1899000 -46.5659 -8.98307 -20.8471 -9.24284 28.0559 -18.4976 -19.1635 -13.3145 12.1927 TIMING: 1899000 CPU: 6003.65, 0.00313246/step Wall: 6003.65, 0.00313246/step, 2.69826 hours remaining, 235.910156 MB of memory in use. ENERGY: 1899000 3963.5502 20406.0242 14429.5587 259.9100 -203289.9839 2788.5952 0.0000 0.0000 52157.8302 -109284.5154 299.7518 -161442.3456 -108929.6291 298.9337 -107.7449 -76.5306 763468.5939 -2.0959 -2.1058 PRESSURE: 1899200 -418.375 -63.182 19.527 -63.1815 -140.748 -16.1796 19.5277 -16.1801 -450.885 GPRESSURE: 1899200 -363.893 -167.416 2.67328 -88.1185 -134.641 24.5787 109.758 -79.6025 -448.196 PRESSAVG: 1899200 -15.5294 12.5455 -4.48333 12.5455 4.68817 43.0908 -4.48335 43.0908 -11.8786 GPRESSAVG: 1899200 -18.3331 12.4928 -2.55629 14.2994 5.32759 44.5303 -4.61071 42.5405 -10.4376 TIMING: 1899200 CPU: 6004.27, 0.00313755/step Wall: 6004.27, 0.00313755/step, 2.70247 hours remaining, 235.910156 MB of memory in use. ENERGY: 1899200 3915.1815 20565.8128 14511.6002 244.6145 -203082.6908 2502.1724 0.0000 0.0000 52009.3360 -109333.9734 298.8984 -161343.3094 -108969.6929 299.5316 -336.6692 -315.5766 761773.3367 -7.5733 -7.8144 PRESSURE: 1899400 98.7371 60.0242 -81.0019 60.0244 242.561 58.6469 -81.0024 58.646 106.895 GPRESSURE: 1899400 104.234 106.1 -113.34 147.611 287.723 57.358 22.2084 88.3328 136.709 PRESSAVG: 1899400 1.88382 23.9441 21.5741 23.9441 -33.7281 -22.546 21.5741 -22.546 20.3689 GPRESSAVG: 1899400 1.5779 23.2467 20.8944 21.5249 -34.1568 -22.1052 21.6802 -24.3643 20.7434 TIMING: 1899400 CPU: 6004.9, 0.00314063/step Wall: 6004.9, 0.00314063/step, 2.70496 hours remaining, 235.910156 MB of memory in use. ENERGY: 1899400 4025.3089 20311.2861 14397.9236 248.6505 -203111.9231 2685.7772 0.0000 0.0000 52132.0262 -109310.9506 299.6035 -161442.9768 -108953.3833 298.9467 149.3976 176.2222 762922.5318 -3.8251 -3.9451 PRESSURE: 1899600 121.296 -35.664 158.738 -35.6645 -261.167 -77.8718 158.738 -77.8719 -29.4871 GPRESSURE: 1899600 95.7994 -107.224 169.072 -53.085 -165.485 -43.744 208.362 -51.9523 -5.91665 PRESSAVG: 1899600 56.9375 29.8226 -0.881321 29.8227 -22.8906 -6.32122 -0.881357 -6.32121 -5.79136 GPRESSAVG: 1899600 57.7326 28.0399 -2.22372 29.6861 -23.1316 -7.10822 -0.410917 -6.22702 -6.20928 TIMING: 1899600 CPU: 6005.53, 0.00314322/step Wall: 6005.53, 0.00314322/step, 2.70701 hours remaining, 235.910156 MB of memory in use. ENERGY: 1899600 4002.8533 20423.3134 14427.3489 244.0579 -203196.0237 2644.2396 0.0000 0.0000 52052.3222 -109401.8885 299.1454 -161454.2107 -109038.7008 298.8104 -56.4527 -25.2008 763815.5473 9.4185 9.4639 PRESSURE: 1899800 286.284 59.695 -101.834 59.6951 10.0802 100.219 -101.834 100.219 -74.8557 GPRESSURE: 1899800 273.992 96.2457 -8.3884 27.7561 67.1685 43.1401 -129.392 151.341 -38.3838 PRESSAVG: 1899800 39.6869 -34.412 -25.6494 -34.4121 -15.7704 15.1124 -25.6495 15.1125 3.89839 GPRESSAVG: 1899800 40.4819 -32.5122 -25.1531 -32.1129 -15.8253 16.7356 -25.9027 16.5233 3.49249 TIMING: 1899800 CPU: 6006.16, 0.00314914/step Wall: 6006.16, 0.00314914/step, 2.71193 hours remaining, 235.910156 MB of memory in use. ENERGY: 1899800 3985.7689 20384.5632 14442.3136 227.9951 -203550.2380 2749.0428 0.0000 0.0000 52239.2528 -109521.3018 300.2197 -161760.5545 -109159.5969 298.9303 73.8362 100.9255 761710.3164 9.2716 9.3830 PRESSURE: 1900000 -12.3238 236.682 -48.7658 236.682 -81.1777 -47.873 -48.7661 -47.8743 94.0943 GPRESSURE: 1900000 -26.9778 317.33 2.06827 157.258 -17.9292 -70.2045 -94.9702 -40.9063 116.663 PRESSAVG: 1900000 44.2308 39.4354 19.3124 39.4353 -29.8428 15.4142 19.3124 15.4142 2.361 GPRESSAVG: 1900000 43.8154 38.612 19.3784 37.945 -30.2915 12.9862 18.7559 16.0587 2.84498 TIMING: 1900000 CPU: 6006.79, 0.00316375/step Wall: 6006.79, 0.00316375/step, 2.72434 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: 1900000 3929.6106 20485.9143 14346.4548 249.5163 -203333.8925 2692.4827 0.0000 0.0000 51910.7600 -109719.1537 298.3319 -161629.9138 -109351.1656 298.4054 0.1976 23.9188 762821.6603 5.5830 5.4563 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.1.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 -126.566 -86.5996 63.4348 -86.6002 -447.939 123.939 63.4348 123.939 -102.638 GPRESSURE: 1900200 -135.793 -65.6224 155.116 -8.64779 -318.42 101.091 61.5175 66.7108 -131.71 PRESSAVG: 1900200 29.6741 18.4465 59.5145 18.4466 -15.0209 -3.05474 59.5144 -3.05478 -15.5619 GPRESSAVG: 1900200 28.9019 16.448 59.0045 17.3748 -14.5122 -2.42834 60.025 -2.2115 -15.8492 TIMING: 1900200 CPU: 6007.44, 0.00324733/step Wall: 6007.44, 0.00324733/step, 2.79613 hours remaining, 236.035156 MB of memory in use. ENERGY: 1900200 3924.1674 20671.1458 14464.6594 246.1886 -203201.0626 2375.3654 0.0000 0.0000 51825.0114 -109694.5246 297.8391 -161519.5360 -109329.9346 297.9700 -225.7144 -195.3075 762798.6567 -0.3029 -0.4865 LDB: ============= START OF LOAD BALANCING ============== 6019.97 LDB: ============== END OF LOAD BALANCING =============== 6019.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6019.97 LDB: ============= START OF LOAD BALANCING ============== 6020.29 LDB: Largest compute 7049 load 0.029869 is 15.3% of average load 0.195551 LDB: Average compute 0.004399 is 2.2% of average load 0.195551 LDB: TIME 6020.29 LOAD: AVG 0.195551 MAX 0.214552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 6020.29 LOAD: AVG 0.195551 MAX 0.214552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: TIME 6020.29 LOAD: AVG 0.195551 MAX 0.214552 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: ============== END OF LOAD BALANCING =============== 6020.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6020.3 PRESSURE: 1900400 -408.841 38.9263 -222.555 38.9267 228.732 -257.36 -222.554 -257.361 142.86 GPRESSURE: 1900400 -260.225 -22.6799 -132.83 11.9901 254.63 -267.23 -279.827 -197.37 86.2798 PRESSAVG: 1900400 -5.48655 -28.6866 18.6784 -28.6866 -4.92611 -26.939 18.6784 -26.939 -1.1636 GPRESSAVG: 1900400 -4.94924 -28.5692 19.8234 -25.7911 -4.98483 -27.5981 16.5641 -26.9892 -1.50592 TIMING: 1900400 CPU: 6008.08, 0.00320502/step Wall: 6008.08, 0.00320502/step, 2.75953 hours remaining, 235.394531 MB of memory in use. ENERGY: 1900400 4007.0147 20450.5680 14442.2122 259.6575 -203348.8781 2714.3035 0.0000 0.0000 51737.3228 -109737.7994 297.3351 -161475.1222 -109378.6134 298.2841 -12.4164 26.8951 762930.5545 -3.8588 -3.8133 PRESSURE: 1900600 48.623 51.0922 -75.2406 51.0931 40.4451 -44.7777 -75.2409 -44.7771 92.5884 GPRESSURE: 1900600 151.397 115.387 -146.121 109.608 65.6966 -53.7261 -11.7403 -93.9303 35.1383 PRESSAVG: 1900600 -83.2693 15.6116 -7.26794 15.6116 47.5168 -21.6198 -7.26799 -21.6197 -2.09586 GPRESSAVG: 1900600 -83.0438 18.9985 -10.1153 13.3146 47.2203 -19.1727 -4.66036 -23.2099 -2.58944 TIMING: 1900600 CPU: 6008.71, 0.00314678/step Wall: 6008.71, 0.00314678/step, 2.7092 hours remaining, 235.597656 MB of memory in use. ENERGY: 1900600 3999.8377 20395.0989 14427.2790 251.9882 -203152.1045 2447.3102 0.0000 0.0000 51912.3649 -109718.2255 298.3411 -161630.5904 -109364.7921 298.3743 60.5522 84.0773 762343.1200 -12.6161 -12.8043 PRESSURE: 1900800 -319.429 81.099 2.8025 81.0989 156.848 -65.0203 2.80243 -65.0203 -169.896 GPRESSURE: 1900800 -220.428 131.515 -10.4143 -72.6427 77.4552 -95.8347 -47.6884 142.607 -111.863 PRESSAVG: 1900800 24.0185 31.3241 -16.1829 31.3241 -25.1722 35.8114 -16.1829 35.8112 4.35301 GPRESSAVG: 1900800 23.5361 29.298 -14.6214 31.1108 -26.0261 35.5022 -14.504 36.689 5.13195 TIMING: 1900800 CPU: 6009.34, 0.00312882/step Wall: 6009.34, 0.00312882/step, 2.69357 hours remaining, 235.800781 MB of memory in use. ENERGY: 1900800 3988.3744 20368.1759 14428.0227 239.3855 -203588.4757 2707.2000 0.0000 0.0000 52085.0756 -109772.2416 299.3336 -161857.3172 -109399.7559 298.3144 -110.8258 -84.9453 761662.9144 1.0664 0.8806 PRESSURE: 1901000 280.385 72.6683 -16.014 72.6678 6.6277 18.0711 -16.0134 18.0719 230.794 GPRESSURE: 1901000 312.241 3.99148 -5.34879 56.8968 140.695 47.1771 -31.8461 98.6446 159.717 PRESSAVG: 1901000 4.71318 31.0365 -37.4601 31.0366 2.17273 -5.56751 -37.4602 -5.56751 -6.89347 GPRESSAVG: 1901000 4.71089 32.0918 -37.9752 31.1902 2.72807 -6.749 -39.4382 -5.61415 -7.21898 TIMING: 1901000 CPU: 6009.96, 0.00313222/step Wall: 6009.96, 0.00313222/step, 2.69632 hours remaining, 235.800781 MB of memory in use. ENERGY: 1901000 4008.8962 20482.7788 14412.3853 227.7806 -203825.0066 2915.7427 0.0000 0.0000 51873.1986 -109904.2244 298.1160 -161777.4230 -109547.2122 298.4185 172.6022 204.2176 760268.3073 -0.0025 0.0733 PRESSURE: 1901200 200.825 -25.0422 177.078 -25.0416 -14.6425 152.174 177.079 152.175 -9.41898 GPRESSURE: 1901200 150.105 73.8386 206.747 16.3579 98.8525 90.0582 35.207 70.9419 25.9239 PRESSAVG: 1901200 45.7277 45.5615 25.788 45.5615 -10.8466 8.95399 25.7881 8.95403 13.6933 GPRESSAVG: 1901200 45.5238 45.9686 26.5255 45.8362 -10.664 8.0754 25.6899 9.26536 13.4672 TIMING: 1901200 CPU: 6010.59, 0.00313478/step Wall: 6010.59, 0.00313478/step, 2.69835 hours remaining, 235.800781 MB of memory in use. ENERGY: 1901200 4012.1779 20544.6927 14487.0067 241.4188 -203834.6773 2836.0439 0.0000 0.0000 51922.4414 -109790.8959 298.3990 -161713.3374 -109437.2264 298.1631 58.9213 91.6271 761958.0012 16.1914 16.1090 PRESSURE: 1901400 87.2773 118.947 47.8171 118.947 -77.99 -337.056 47.8161 -337.056 0.521243 GPRESSURE: 1901400 145.99 16.8207 124.901 194.235 -40.9402 -315.523 41.2879 -337.797 -0.721839 PRESSAVG: 1901400 -19.0448 26.7065 27.0678 26.7065 13.0134 -45.3532 27.0678 -45.3533 2.07314 GPRESSAVG: 1901400 -19.7278 25.1978 27.2681 27.3004 12.9656 -44.7261 25.3678 -45.4544 2.31356 TIMING: 1901400 CPU: 6011.22, 0.00313311/step Wall: 6011.22, 0.00313311/step, 2.69674 hours remaining, 235.800781 MB of memory in use. ENERGY: 1901400 3997.4997 20406.9062 14523.4893 251.9139 -203553.5720 2725.2011 0.0000 0.0000 52095.3128 -109553.2491 299.3925 -161648.5619 -109195.4533 298.6860 3.2695 34.7758 759475.2477 -1.3194 -1.4829 PRESSURE: 1901600 -132.441 -258.315 -277.656 -258.316 -19.7785 132.904 -277.656 132.904 30.5625 GPRESSURE: 1901600 -75.1561 -297.188 -226.553 -349.122 -76.0245 19.8083 -184.451 229.693 102.076 PRESSAVG: 1901600 -41.6555 31.429 -13.6957 31.429 8.83702 3.56611 -13.6957 3.56616 12.5196 GPRESSAVG: 1901600 -41.0045 31.3401 -15.5934 29.7816 7.50936 2.82645 -10.9626 2.82317 13.0798 TIMING: 1901600 CPU: 6011.85, 0.0031508/step Wall: 6011.85, 0.0031508/step, 2.71179 hours remaining, 235.800781 MB of memory in use. ENERGY: 1901600 4055.8113 20415.1387 14507.5695 261.2336 -203358.1371 2552.0937 0.0000 0.0000 51944.7851 -109621.5051 298.5274 -161566.2902 -109262.0575 298.8241 -40.5523 -16.3680 762340.3454 -6.7663 -6.8051 PRESSURE: 1901800 41.4 -39.8964 153.011 -39.8963 -83.3226 -79.6509 153.012 -79.6506 191.5 GPRESSURE: 1901800 -36.2427 -27.9194 126.045 76.5373 10.4985 -16.8604 205.992 -107.569 270.779 PRESSAVG: 1901800 -33.0116 -23.0489 -5.29233 -23.049 66.0322 15.2167 -5.29231 15.2166 7.67415 GPRESSAVG: 1901800 -33.0909 -21.6451 -3.17946 -21.6732 65.955 16.6575 -6.12595 16.9239 7.47077 TIMING: 1901800 CPU: 6012.48, 0.0031512/step Wall: 6012.48, 0.0031512/step, 2.71196 hours remaining, 235.800781 MB of memory in use. ENERGY: 1901800 3998.0716 20321.1469 14536.3395 287.6478 -203532.5541 2867.7240 0.0000 0.0000 52011.4063 -109510.2180 298.9103 -161521.6243 -109145.8365 298.4702 49.8591 81.6784 763170.6465 13.5649 13.4450 PRESSURE: 1902000 174.577 21.1813 39.9152 21.1812 66.6799 24.7779 39.9146 24.7782 78.1507 GPRESSURE: 1902000 193.348 103.671 -18.5841 138.015 158.5 99.3971 -33.061 -72.6801 71.2251 PRESSAVG: 1902000 -19.8774 -7.08831 21.9647 -7.08836 43.5804 -50.6767 21.9646 -50.6767 2.72553 GPRESSAVG: 1902000 -20.0257 -8.10729 20.3153 -6.96696 44.2664 -51.5837 23.22 -50.6769 2.15788 TIMING: 1902000 CPU: 6013.11, 0.00314015/step Wall: 6013.11, 0.00314015/step, 2.70227 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: 1902000 3924.4130 20347.7917 14446.4909 231.5177 -203356.7687 2635.0465 0.0000 0.0000 52194.3654 -109577.1436 299.9617 -161771.5089 -109209.5561 298.8254 106.4691 141.0244 762074.3894 8.8095 8.7995 PRESSURE: 1902200 -252.529 158.392 -91.6735 158.392 -88.4986 -213.708 -91.6732 -213.709 69.7576 GPRESSURE: 1902200 -193.514 83.0718 -148.061 153.698 -133.203 -163.765 -11.3242 -180.913 134.296 PRESSAVG: 1902200 -10.4846 39.8401 35.1486 39.8401 31.2419 -36.6542 35.1485 -36.6542 8.43974 GPRESSAVG: 1902200 -9.46686 38.6931 36.7298 38.9546 30.2064 -36.1922 33.9606 -37.5284 8.85325 TIMING: 1902200 CPU: 6013.73, 0.00313815/step Wall: 6013.73, 0.00313815/step, 2.70038 hours remaining, 235.800781 MB of memory in use. ENERGY: 1902200 3985.3305 20453.2052 14483.7756 236.4411 -203321.6450 2629.7287 0.0000 0.0000 51611.9680 -109921.1960 296.6147 -161533.1640 -109573.7556 298.2443 -90.4235 -64.1401 761452.6380 9.7323 9.8642 PRESSURE: 1902400 -223.964 -170.301 -92.1042 -170.301 -254.441 -68.426 -92.1039 -68.4266 -191.54 GPRESSURE: 1902400 -127.735 -103.8 -134.503 41.8217 -231.254 10.5754 -64.2207 -190.461 -224.709 PRESSAVG: 1902400 -3.31639 -10.9957 17.4941 -10.9957 -44.4451 -32.2971 17.4941 -32.2971 -12.0785 GPRESSAVG: 1902400 -5.55361 -9.46911 16.1953 -9.72864 -43.7596 -31.4946 17.7955 -34.7077 -11.8024 TIMING: 1902400 CPU: 6014.37, 0.00316223/step Wall: 6014.37, 0.00316223/step, 2.72092 hours remaining, 235.800781 MB of memory in use. ENERGY: 1902400 4054.3752 20341.2203 14508.7519 234.7984 -203591.5259 2766.6234 0.0000 0.0000 51932.3383 -109753.4183 298.4559 -161685.7567 -109394.0751 298.1821 -223.3151 -194.5662 762169.8879 -19.9467 -20.3719 PRESSURE: 1902600 166.653 -121.043 -79.4237 -121.043 324.058 2.0845 -79.4232 2.08464 303.909 GPRESSURE: 1902600 99.2042 7.37001 -56.2287 -98.3359 441.224 -26.9804 -106.365 55.4036 316.458 PRESSAVG: 1902600 23.602 -43.5128 25.9946 -43.5128 -10.7758 -0.33573 25.9946 -0.335755 -21.3407 GPRESSAVG: 1902600 23.3691 -44.5322 26.7712 -42.4083 -10.0237 -1.99322 25.655 1.48441 -22.5995 TIMING: 1902600 CPU: 6014.99, 0.00313595/step Wall: 6014.99, 0.00313595/step, 2.69813 hours remaining, 235.800781 MB of memory in use. ENERGY: 1902600 4038.9312 20584.7685 14534.6328 247.4965 -203424.8452 2763.7544 0.0000 0.0000 51616.3944 -109638.8674 296.6401 -161255.2618 -109300.4948 298.3823 264.8733 285.6287 760398.4063 -2.8382 -3.0847 PRESSURE: 1902800 -27.4199 -172.882 25.0817 -172.882 -116.679 -282.366 25.0807 -282.367 -134.749 GPRESSURE: 1902800 -28.1175 -201.992 87.9667 -160.425 -56.4666 -184.356 -38.175 -241.121 -137.863 PRESSAVG: 1902800 17.2305 -9.35302 5.9705 -9.35303 -43.7757 -65.4641 5.97048 -65.464 9.1098 GPRESSAVG: 1902800 17.8505 -7.35376 6.70773 -11.2278 -44.6336 -62.6903 4.33047 -65.2738 9.46259 TIMING: 1902800 CPU: 6015.62, 0.00315159/step Wall: 6015.62, 0.00315159/step, 2.71141 hours remaining, 235.800781 MB of memory in use. ENERGY: 1902800 4007.1663 20355.4903 14498.1502 248.6410 -203403.8137 2740.8180 0.0000 0.0000 51961.3597 -109592.1882 298.6226 -161553.5479 -109240.6705 298.6506 -92.9493 -74.1491 761460.5361 -5.8118 -5.7735 PRESSURE: 1903000 -127.554 -61.0247 78.7812 -61.0246 -41.0026 314.776 78.7823 314.775 4.86118 GPRESSURE: 1903000 -107.42 -106.37 -19.0392 -6.33494 37.0931 298.614 97.2574 211.842 -15.6761 PRESSAVG: 1903000 58.6277 5.33065 -11.2407 5.3307 -18.73 -63.4513 -11.2407 -63.4514 -10.217 GPRESSAVG: 1903000 59.0396 6.10753 -12.1492 4.80184 -18.1459 -64.5349 -10.4277 -63.9435 -11.0302 TIMING: 1903000 CPU: 6016.25, 0.00314015/step Wall: 6016.25, 0.00314015/step, 2.7014 hours remaining, 235.800781 MB of memory in use. ENERGY: 1903000 4101.1072 20457.4521 14520.8243 240.3614 -203650.3206 2661.8979 0.0000 0.0000 52050.8608 -109617.8169 299.1370 -161668.6777 -109248.5143 298.6798 -54.5652 -28.6677 761658.0115 9.8936 9.9545 PRESSURE: 1903200 70.5377 -110.419 -41.1252 -110.419 162.417 -96.9757 -41.1247 -96.9759 -235.847 GPRESSURE: 1903200 98.0312 -91.2489 -99.9918 -122.576 51.3954 -33.9088 -41.5798 -228.094 -79.3727 PRESSAVG: 1903200 -37.1367 44.5141 -38.3621 44.5141 49.9551 -34.3286 -38.3621 -34.3286 -2.59032 GPRESSAVG: 1903200 -38.7469 42.6817 -38.9508 45.5677 49.2655 -34.4131 -38.4968 -33.45 -0.431367 TIMING: 1903200 CPU: 6016.88, 0.0031342/step Wall: 6016.88, 0.0031342/step, 2.69611 hours remaining, 235.800781 MB of memory in use. ENERGY: 1903200 3916.6769 20550.0581 14582.1304 252.2659 -203394.6519 2678.0207 0.0000 0.0000 51568.4014 -109847.0983 296.3643 -161415.4998 -109501.9925 298.4006 -0.9640 23.3513 762137.0734 3.4094 3.3624 PRESSURE: 1903400 28.9085 -88.272 174.096 -88.271 181.266 -122.284 174.096 -122.285 -328.89 GPRESSURE: 1903400 74.2061 -60.0678 189.421 -5.1309 157.552 -146.707 75.1494 29.7275 -270.396 PRESSAVG: 1903400 7.06663 -50.3361 35.9101 -50.336 -29.9899 15.1651 35.9101 15.1651 4.32013 GPRESSAVG: 1903400 8.97422 -51.736 36.4876 -50.3214 -29.5257 13.4042 35.4654 14.3238 1.30275 TIMING: 1903400 CPU: 6017.51, 0.00315084/step Wall: 6017.51, 0.00315084/step, 2.71025 hours remaining, 235.800781 MB of memory in use. ENERGY: 1903400 3967.6969 20384.7704 14445.7332 257.1342 -203377.0163 2694.0435 0.0000 0.0000 51771.3709 -109856.2673 297.5308 -161627.6381 -109493.9374 298.1000 -39.5719 -12.8795 762850.8313 -6.2010 -6.4162 PRESSURE: 1903600 143.668 -221.539 73.0189 -221.539 81.6036 89.9944 73.0189 89.995 513.54 GPRESSURE: 1903600 84.0132 -147.647 22.8271 -177.351 148.953 75.8651 68.2678 -27.2986 593.225 PRESSAVG: 1903600 0.91068 -17.7786 31.658 -17.7786 5.50315 40.1004 31.6581 40.1004 -2.51609 GPRESSAVG: 1903600 -0.636099 -16.1027 31.9435 -19.246 5.42826 40.161 31.4677 39.6321 -0.877994 TIMING: 1903600 CPU: 6018.14, 0.00314366/step Wall: 6018.14, 0.00314366/step, 2.7039 hours remaining, 235.789062 MB of memory in use. ENERGY: 1903600 3953.1265 20403.6328 14465.0972 262.3095 -203758.1158 2793.6779 0.0000 0.0000 52106.3361 -109773.9358 299.4558 -161880.2719 -109406.8084 298.3236 246.2706 275.3971 759304.6233 1.2992 1.3047 PRESSURE: 1903800 -37.4778 -26.3606 -114.24 -26.3606 -132.192 -86.9266 -114.239 -86.9263 -259.507 GPRESSURE: 1903800 49.4344 6.50447 -65.0957 -7.03279 -45.6122 -37.4546 1.22801 30.0105 -343.306 PRESSAVG: 1903800 -9.38574 -7.80003 26.4868 -7.80005 -4.32219 5.26084 26.4869 5.26087 -18.9354 GPRESSAVG: 1903800 -8.90903 -9.09437 26.9705 -6.21496 -3.79223 4.53241 27.5972 7.2757 -20.1288 TIMING: 1903800 CPU: 6018.77, 0.00314245/step Wall: 6018.77, 0.00314245/step, 2.70268 hours remaining, 235.789062 MB of memory in use. ENERGY: 1903800 3954.0796 20417.0118 14515.2906 239.9927 -202974.4849 2281.7658 0.0000 0.0000 51854.7820 -109711.5624 298.0101 -161566.3444 -109351.2414 298.1691 -143.0587 -113.1612 761591.4971 -10.8811 -10.9434 PRESSURE: 1904000 -301.897 -22.5343 14.4233 -22.5344 -196.901 -9.0566 14.4231 -9.05649 -75.3866 GPRESSURE: 1904000 -216.154 -60.2643 108.324 26.7536 -219.581 -50.2924 70.3988 55.894 -29.7202 PRESSAVG: 1904000 -39.972 0.731082 4.64608 0.73114 40.8657 16.3754 4.64606 16.3755 -18.8278 GPRESSAVG: 1904000 -39.8157 1.09955 7.14264 -0.701729 39.7497 19.0137 3.23068 14.0591 -17.9945 TIMING: 1904000 CPU: 6019.39, 0.0031382/step Wall: 6019.39, 0.0031382/step, 2.69885 hours remaining, 235.789062 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: 1904000 3978.6970 20589.6974 14527.5559 243.3557 -203782.8832 2749.4698 0.0000 0.0000 51759.8029 -109934.3044 297.4643 -161694.1074 -109584.0406 298.2234 -191.3948 -155.1517 762131.5958 -5.9780 -6.0202 PRESSURE: 1904200 -269.784 64.8334 -41.5579 64.8326 -551.736 -5.1126 -41.5583 -5.1132 117.649 GPRESSURE: 1904200 -237.987 -4.10008 -1.20981 124.321 -444.847 111.264 -96.0104 -38.613 72.1467 PRESSAVG: 1904200 -12.6087 2.03215 -28.3875 2.03207 64.4073 23.1834 -28.3875 23.1834 -20.8853 GPRESSAVG: 1904200 -14.7419 0.317229 -31.4082 4.56918 65.7044 22.6911 -25.6028 25.0479 -19.8286 TIMING: 1904200 CPU: 6020.02, 0.003151/step Wall: 6020.02, 0.003151/step, 2.70968 hours remaining, 235.789062 MB of memory in use. ENERGY: 1904200 4025.5308 20493.3843 14467.3981 237.8555 -203518.3582 2614.5706 0.0000 0.0000 51916.3385 -109763.2803 298.3639 -161679.6188 -109405.9061 298.6080 -234.6240 -203.5625 763755.1357 10.3044 10.3779 LDB: ============= START OF LOAD BALANCING ============== 6032.56 LDB: ============== END OF LOAD BALANCING =============== 6032.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6032.56 LDB: ============= START OF LOAD BALANCING ============== 6032.88 LDB: Largest compute 7049 load 0.030117 is 15.4% of average load 0.195528 LDB: Average compute 0.004392 is 2.2% of average load 0.195528 LDB: TIME 6032.88 LOAD: AVG 0.195528 MAX 0.216933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.125 MB LDB: TIME 6032.88 LOAD: AVG 0.195528 MAX 0.216933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.191 MB LDB: TIME 6032.88 LOAD: AVG 0.195528 MAX 0.216933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.191 MB LDB: ============== END OF LOAD BALANCING =============== 6032.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6032.89 PRESSURE: 1904400 -141.489 125.734 193.932 125.734 -308.611 -237.128 193.932 -237.129 -212.044 GPRESSURE: 1904400 -199.291 108.546 155.247 114.577 -256.317 -221.836 82.6562 -145.544 -114.749 PRESSAVG: 1904400 24.7485 13.0542 46.4505 13.0541 -3.33203 26.9784 46.4505 26.9784 -21.9985 GPRESSAVG: 1904400 25.8283 13.7827 47.6233 10.8853 -3.39545 26.528 42.4527 26.2697 -23.3374 TIMING: 1904400 CPU: 6020.67, 0.00322492/step Wall: 6020.67, 0.00322491/step, 2.77307 hours remaining, 235.453125 MB of memory in use. ENERGY: 1904400 4032.8137 20542.5875 14493.5037 239.5489 -203655.1885 2866.4147 0.0000 0.0000 51927.0205 -109553.2995 298.4253 -161480.3200 -109189.4810 298.7316 -220.7149 -190.1189 762656.2965 -0.1940 -0.3015 PRESSURE: 1904600 -351.501 14.4258 -14.2391 14.4251 -16.2536 -208.52 -14.2394 -208.52 -496.461 GPRESSURE: 1904600 -251.564 1.59585 -81.111 17.4681 -33.2066 -187.255 -14.6425 -289.19 -488.883 PRESSAVG: 1904600 -35.8822 -43.3849 28.9394 -43.3849 0.165702 -7.79426 28.9394 -7.79418 -11.8231 GPRESSAVG: 1904600 -36.1526 -44.5155 27.8426 -41.6579 0.605217 -6.94752 31.4699 -8.83453 -11.6814 TIMING: 1904600 CPU: 6021.3, 0.00315163/step Wall: 6021.3, 0.00315163/step, 2.70987 hours remaining, 235.656250 MB of memory in use. ENERGY: 1904600 3934.7043 20417.8871 14427.6492 222.7539 -203591.4678 2557.6923 0.0000 0.0000 52128.1054 -109902.6757 299.5809 -162030.7811 -109524.1401 298.5126 -288.0719 -257.8844 761517.4456 -15.8465 -15.7429 PRESSURE: 1904800 -272.793 -168.494 112.684 -168.493 80.9608 200.686 112.684 200.685 348.754 GPRESSURE: 1904800 -92.1445 -7.7817 118.146 -60.1432 7.61467 138.836 3.48376 171.384 313.764 PRESSAVG: 1904800 1.60173 4.72477 -21.1693 4.72476 10.3062 10.893 -21.1693 10.893 0.683805 GPRESSAVG: 1904800 2.78744 8.47979 -22.0191 2.03657 9.51391 10.6051 -21.4561 10.3371 0.68052 TIMING: 1904800 CPU: 6021.93, 0.00314347/step Wall: 6021.93, 0.00314347/step, 2.70269 hours remaining, 235.656250 MB of memory in use. ENERGY: 1904800 3963.8332 20514.2191 14429.5944 234.0762 -203645.8290 2738.1788 0.0000 0.0000 52002.0317 -109763.8956 298.8564 -161765.9274 -109403.7883 298.0987 52.3074 76.4114 760552.3836 4.1973 4.3273 PRESSURE: 1905000 -141.602 -13.4755 -89.8354 -13.4747 -470.439 70.2565 -89.8365 70.2564 -321.21 GPRESSURE: 1905000 -220.015 110.298 -139.74 -49.4509 -382.998 12.1027 -89.1133 133.245 -253.191 PRESSAVG: 1905000 4.99248 -5.87391 -23.3581 -5.87379 9.61463 -10.5929 -23.3581 -10.5929 -4.63423 GPRESSAVG: 1905000 5.42361 -7.74285 -24.6485 -4.68155 8.92822 -10.8122 -20.1279 -9.91712 -4.09101 TIMING: 1905000 CPU: 6022.56, 0.00314633/step Wall: 6022.56, 0.00314633/step, 2.70497 hours remaining, 235.656250 MB of memory in use. ENERGY: 1905000 4031.7961 20678.2661 14509.6618 251.9534 -203378.4930 2402.8172 0.0000 0.0000 51735.2635 -109768.7351 297.3233 -161503.9986 -109418.8337 298.4640 -311.0834 -285.4011 763865.7046 3.3243 3.4203 PRESSURE: 1905200 -50.9182 235.497 20.607 235.498 -183.093 71.8436 20.6073 71.8434 -329.554 GPRESSURE: 1905200 -110.017 215.551 -18.5764 254.02 -134.235 178.638 70.0763 -6.19933 -245.7 PRESSAVG: 1905200 -5.31834 25.2902 -28.6317 25.2903 -30.4858 2.45061 -28.6317 2.45072 1.88844 GPRESSAVG: 1905200 -5.95771 26.2868 -27.6368 26.9604 -29.496 2.57585 -30.4218 1.38254 1.67403 TIMING: 1905200 CPU: 6023.19, 0.00313697/step Wall: 6023.19, 0.00313697/step, 2.69675 hours remaining, 235.656250 MB of memory in use. ENERGY: 1905200 4002.5698 20663.2718 14369.8136 240.4517 -203545.3648 2557.9934 0.0000 0.0000 52131.1469 -109580.1176 299.5984 -161711.2646 -109225.6221 298.5121 -187.8552 -163.3177 761963.3517 -11.3052 -11.2599 PRESSURE: 1905400 -123.723 -343.238 -125.212 -343.238 98.377 248.071 -125.212 248.072 -72.0874 GPRESSURE: 1905400 -122.145 -342.696 -25.7806 -335.267 106.947 369.972 -42.1581 193.546 2.25299 PRESSAVG: 1905400 32.581 -8.29287 -38.3262 -8.29287 -22.4535 -5.94014 -38.3262 -5.94019 -11.5862 GPRESSAVG: 1905400 32.2552 -9.14105 -36.4786 -8.6802 -22.0705 -7.11184 -38.7382 -2.81401 -11.5087 TIMING: 1905400 CPU: 6023.81, 0.003141/step Wall: 6023.81, 0.003141/step, 2.70004 hours remaining, 235.656250 MB of memory in use. ENERGY: 1905400 3995.3511 20659.2222 14557.1625 241.1716 -203673.9483 2895.5154 0.0000 0.0000 51849.5729 -109475.9527 297.9802 -161325.5256 -109119.4820 298.8456 -32.4778 -4.3151 762117.0612 -0.4862 -0.4414 PRESSURE: 1905600 -40.5602 79.7944 -15.5349 79.7945 169.068 132.281 -15.5348 132.281 191.353 GPRESSURE: 1905600 9.64127 72.0658 59.6822 95.034 208.111 -56.5755 51.462 73.6906 202.641 PRESSAVG: 1905600 20.6647 38.4272 -19.9692 38.4272 14.5348 -21.6489 -19.9692 -21.6489 -4.05597 GPRESSAVG: 1905600 21.8629 37.9847 -20.8289 38.788 12.9063 -22.1138 -20.6568 -21.9415 -3.97881 TIMING: 1905600 CPU: 6024.44, 0.00315645/step Wall: 6024.44, 0.00315645/step, 2.71314 hours remaining, 235.656250 MB of memory in use. ENERGY: 1905600 3942.6177 20515.5535 14485.9798 255.5975 -203719.3732 2811.2952 0.0000 0.0000 51866.1269 -109842.2025 298.0753 -161708.3294 -109482.6008 298.6354 106.6202 140.1313 762730.6789 10.3812 10.2635 PRESSURE: 1905800 -20.8539 -25.7425 247.037 -25.7423 267.687 75.9996 247.038 75.9992 -24.5244 GPRESSURE: 1905800 37.261 -28.1707 249.071 -19.819 247.203 125.045 136.018 131.693 11.5076 PRESSAVG: 1905800 -16.9309 38.5288 21.3639 38.5288 -14.9513 31.4506 21.3638 31.4507 -9.5956 GPRESSAVG: 1905800 -17.224 39.0417 23.2502 35.8095 -14.687 33.2069 22.1331 29.1129 -9.97863 TIMING: 1905800 CPU: 6025.08, 0.00316175/step Wall: 6025.08, 0.00316175/step, 2.71752 hours remaining, 235.656250 MB of memory in use. ENERGY: 1905800 3990.9873 20524.2126 14438.5613 241.8923 -203660.2179 2633.0842 0.0000 0.0000 52277.5643 -109553.9158 300.4399 -161831.4802 -109195.1093 298.2539 74.1029 98.6571 761788.5399 -13.8260 -13.9632 PRESSURE: 1906000 -234.493 4.70855 -178.403 4.70974 -186.184 36.7219 -178.402 36.721 173.618 GPRESSURE: 1906000 -164.562 -12.3575 -221.24 124.585 -145.687 55.1486 -227.406 153.978 130.153 PRESSAVG: 1906000 0.334559 -0.987324 -24.1975 -0.987313 -3.80582 35.9471 -24.1975 35.9472 -9.18326 GPRESSAVG: 1906000 -0.298842 -0.613651 -25.6385 0.554216 -3.23455 34.2811 -24.7048 37.758 -8.85875 TIMING: 1906000 CPU: 6025.71, 0.0031491/step Wall: 6025.71, 0.0031491/step, 2.70648 hours remaining, 235.656250 MB of memory 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 3884.2358 20516.8762 14478.8827 236.2093 -203351.5755 2537.9562 0.0000 0.0000 52183.8265 -109513.5888 299.9012 -161697.4153 -109144.2294 298.6396 -82.3528 -60.0321 761703.7824 -4.2182 -4.1307 PRESSURE: 1906200 307.948 59.9944 6.31732 59.9952 -374.919 20.5255 6.31809 20.5234 56.6558 GPRESSURE: 1906200 333.735 -26.0548 -37.4415 87.9762 -295.939 -54.859 80.5271 120.945 31.7398 PRESSAVG: 1906200 -15.2443 37.1975 -8.93418 37.1975 -7.04446 44.9002 -8.93425 44.9002 -7.93274 GPRESSAVG: 1906200 -14.1768 35.9079 -9.3225 38.2878 -6.25718 46.295 -7.86055 43.716 -10.2114 TIMING: 1906200 CPU: 6026.34, 0.00314736/step Wall: 6026.34, 0.00314736/step, 2.70481 hours remaining, 235.656250 MB of memory in use. ENERGY: 1906200 3961.2298 20509.2562 14497.6604 251.6283 -203632.3264 2685.8917 0.0000 0.0000 52117.8600 -109608.8000 299.5221 -161726.6600 -109244.2324 299.0721 -3.4382 23.1785 760910.9277 -10.0738 -10.2151 PRESSURE: 1906400 15.6637 31.9142 45.6892 31.9144 302.198 227.107 45.6902 227.106 73.2921 GPRESSURE: 1906400 -56.6548 -8.69116 99.8773 170.591 339.643 128.26 34.2934 184.773 189.221 PRESSAVG: 1906400 -4.54483 -22.0211 70.8933 -22.021 29.4282 31.2335 70.8932 31.2335 13.4185 GPRESSAVG: 1906400 -5.64433 -22.127 72.0906 -20.873 28.7553 30.0443 69.1929 32.0669 15.2356 TIMING: 1906400 CPU: 6026.97, 0.00314906/step Wall: 6026.97, 0.00314906/step, 2.70609 hours remaining, 235.656250 MB of memory in use. ENERGY: 1906400 3918.1466 20621.3265 14512.7025 250.3261 -203795.9829 2673.0802 0.0000 0.0000 52103.2207 -109717.1802 299.4379 -161820.4009 -109355.4617 298.7562 130.3847 157.4032 759112.8911 12.7673 12.7822 PRESSURE: 1906600 -336.148 110.93 312.872 110.93 78.3536 301.621 312.873 301.621 177.653 GPRESSURE: 1906600 -290.568 5.16684 259.311 50.5218 53.342 256.073 216.131 285.775 225.777 PRESSAVG: 1906600 -21.2783 5.89422 3.10765 5.89429 20.8245 -8.84994 3.10768 -8.84994 -22.7047 GPRESSAVG: 1906600 -20.1681 6.78922 2.43703 6.41148 19.9016 -9.2387 2.03126 -9.4528 -22.7373 TIMING: 1906600 CPU: 6027.6, 0.00315776/step Wall: 6027.6, 0.00315776/step, 2.71339 hours remaining, 235.656250 MB of memory in use. ENERGY: 1906600 4014.3355 20506.2890 14547.4661 257.9715 -203644.2414 2663.8644 0.0000 0.0000 52004.3753 -109649.9396 298.8699 -161654.3149 -109285.0269 298.6028 -26.7139 -3.8164 761393.8989 -7.7195 -7.6679 PRESSURE: 1906800 -269.324 60.8664 -103.872 60.8665 -286.749 234.901 -103.871 234.901 112.384 GPRESSURE: 1906800 -201.821 33.0955 -77.8279 -10.9418 -197.808 187.688 -63.6281 247.331 52.4707 PRESSAVG: 1906800 -9.66834 31.3122 -14.9122 31.3122 12.3583 35.8645 -14.9122 35.8645 -9.26609 GPRESSAVG: 1906800 -10.3746 31.2949 -15.4566 28.7285 12.4822 36.513 -14.1525 33.793 -8.41773 TIMING: 1906800 CPU: 6028.23, 0.00314308/step Wall: 6028.23, 0.00314308/step, 2.70061 hours remaining, 235.656250 MB of memory in use. ENERGY: 1906800 3959.0011 20560.9769 14483.8341 251.1930 -203021.6019 2349.7307 0.0000 0.0000 51896.1974 -109520.6688 298.2482 -161416.8662 -109162.6755 298.6978 -147.8960 -115.7194 761389.0831 -2.1920 -2.1034 PRESSURE: 1907000 -256.783 -31.0589 98.7253 -31.0585 188.196 3.50634 98.7256 3.50578 -96.8546 GPRESSURE: 1907000 -151.827 -4.19205 138.4 -80.8269 184.799 8.19779 89.9231 -46.3961 -105.488 PRESSAVG: 1907000 3.74353 -62.9588 25.5851 -62.9587 40.8262 -28.6655 25.5852 -28.6655 10.5559 GPRESSAVG: 1907000 4.07816 -62.9784 23.9904 -62.0932 40.6655 -29.2532 27.1529 -25.9234 9.9971 TIMING: 1907000 CPU: 6028.85, 0.00313526/step Wall: 6028.85, 0.00313526/step, 2.69371 hours remaining, 235.656250 MB of memory in use. ENERGY: 1907000 3961.0391 20502.8594 14510.4365 235.4387 -203566.5376 2880.8620 0.0000 0.0000 52068.9072 -109406.9947 299.2407 -161475.9019 -109048.0097 298.9694 -55.1474 -24.1721 763110.2899 18.3752 18.2469 PRESSURE: 1907200 92.7523 -265.689 60.8541 -265.689 -84.4072 215.354 60.8543 215.355 205.862 GPRESSURE: 1907200 132.399 -315.085 64.7524 -112.385 14.1633 217.823 36.839 78.4924 138.979 PRESSAVG: 1907200 18.9378 -30.0969 45.2683 -30.0969 -8.52083 20.8041 45.2683 20.8041 12.9035 GPRESSAVG: 1907200 17.2343 -29.6413 46.6743 -30.4926 -6.75225 20.8707 45.0639 19.2741 12.9867 TIMING: 1907200 CPU: 6029.48, 0.00314085/step Wall: 6029.48, 0.00314085/step, 2.69834 hours remaining, 235.656250 MB of memory in use. ENERGY: 1907200 3997.3395 20439.6205 14504.2129 241.9790 -203167.4706 2482.3672 0.0000 0.0000 52183.6937 -109318.2577 299.9004 -161501.9515 -108962.2623 298.8715 71.4024 95.1807 760880.5409 7.7735 7.8229 PRESSURE: 1907400 -67.7176 -78.8725 -213.486 -78.8726 -270.557 -235.21 -213.486 -235.211 21.1592 GPRESSURE: 1907400 24.8073 -21.9734 -181.82 -130.317 -258.932 -284.351 -239.483 -250.311 12.3035 PRESSAVG: 1907400 -30.7557 -33.5762 -8.70781 -33.5762 50.7208 44.9113 -8.70777 44.9112 16.6233 GPRESSAVG: 1907400 -29.0115 -33.0846 -8.44541 -33.7626 50.2248 46.5045 -10.3875 44.8766 15.6365 TIMING: 1907400 CPU: 6030.11, 0.00314972/step Wall: 6030.11, 0.00314972/step, 2.70579 hours remaining, 235.656250 MB of memory in use. ENERGY: 1907400 3944.7691 20559.8130 14478.3925 254.0369 -203417.8083 2730.0412 0.0000 0.0000 52165.2638 -109285.4917 299.7945 -161450.7556 -108919.3224 299.3364 -105.7052 -73.9406 762714.4404 12.1961 12.2833 PRESSURE: 1907600 -184.993 149.491 -227.979 149.491 -278.376 34.6621 -227.979 34.6602 -23.0418 GPRESSURE: 1907600 -119.307 68.9331 -227.878 171.474 -230.229 -60.364 -78.8874 120.505 -38.4985 PRESSAVG: 1907600 -2.52346 2.27175 14.2346 2.27175 1.20907 -6.51463 14.2346 -6.5147 -25.3052 GPRESSAVG: 1907600 -3.55204 1.91031 14.6888 2.69836 0.843823 -6.69126 16.3702 -5.28293 -24.2666 TIMING: 1907600 CPU: 6030.74, 0.00315714/step Wall: 6030.74, 0.00315714/step, 2.71198 hours remaining, 235.656250 MB of memory in use. ENERGY: 1907600 3993.9138 20597.0770 14556.2737 258.9039 -203374.6340 2740.5655 0.0000 0.0000 52032.9396 -109194.9605 299.0340 -161227.9001 -108836.2085 299.9985 -162.1369 -129.3450 765137.0231 -8.8732 -8.9916 PRESSURE: 1907800 -235.09 73.3529 239.564 73.3526 52.3973 96.5979 239.564 96.5976 -447.186 GPRESSURE: 1907800 -263.936 62.8154 254.613 65.9786 62.222 -4.09963 265.126 -22.7178 -349.589 PRESSAVG: 1907800 -16.3687 30.874 -8.76728 30.8741 13.0963 17.0845 -8.76727 17.0845 13.1195 GPRESSAVG: 1907800 -17.2962 31.1556 -10.301 29.3191 14.118 17.6361 -9.43633 17.0065 13.2318 TIMING: 1907800 CPU: 6031.37, 0.00315515/step Wall: 6031.37, 0.00315515/step, 2.7101 hours remaining, 235.656250 MB of memory in use. ENERGY: 1907800 4024.1182 20522.5595 14473.1092 245.9362 -203552.5727 2903.5501 0.0000 0.0000 52203.9582 -109179.3412 300.0169 -161383.2995 -108811.1903 299.9243 -209.9597 -183.7678 764388.3782 3.2823 3.3512 PRESSURE: 1908000 139.929 -76.0464 128.683 -76.0454 4.47072 -90.8781 128.683 -90.878 9.67955 GPRESSURE: 1908000 221.353 -99.455 151.438 -57.6019 26.5978 -10.0905 157.815 -84.795 -0.889829 PRESSAVG: 1908000 -56.954 -38.1683 91.7192 -38.1682 38.4738 -25.7308 91.7192 -25.7308 6.9323 GPRESSAVG: 1908000 -54.7281 -37.8861 93.3454 -36.1716 38.2565 -26.3683 90.6996 -27.6656 5.34055 TIMING: 1908000 CPU: 6032.01, 0.00316505/step Wall: 6032.01, 0.00316505/step, 2.71842 hours remaining, 235.656250 MB of memory 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 4032.6545 20415.8624 14481.3972 247.9294 -203734.0503 3150.6007 0.0000 0.0000 52204.0170 -109201.5890 300.0172 -161405.6061 -108841.7843 299.8503 51.3599 82.3536 763008.7083 -3.8493 -3.7104 PRESSURE: 1908200 -153.411 -114.703 -282.263 -114.703 231.768 133.444 -282.264 133.445 99.7212 GPRESSURE: 1908200 -5.85676 -144.099 -274.882 -21.9161 163.612 14.2994 -313.762 132.691 98.2266 PRESSAVG: 1908200 23.9727 -14.0672 11.438 -14.0672 -7.22824 14.501 11.438 14.5011 3.83153 GPRESSAVG: 1908200 22.5009 -13.5699 11.4316 -15.7847 -7.11989 15.3609 11.3682 16.1819 4.99711 TIMING: 1908200 CPU: 6032.64, 0.0031525/step Wall: 6032.64, 0.0031525/step, 2.70747 hours remaining, 235.656250 MB of memory in use. ENERGY: 1908200 3928.9400 20563.6959 14479.9530 260.2678 -203253.8242 2760.5549 0.0000 0.0000 51907.3357 -109353.0768 298.3122 -161260.4126 -108980.3522 299.8844 59.3593 85.3273 762452.6905 6.8586 6.7927 LDB: ============= START OF LOAD BALANCING ============== 6045.17 LDB: ============== END OF LOAD BALANCING =============== 6045.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6045.17 LDB: ============= START OF LOAD BALANCING ============== 6045.49 LDB: Largest compute 7043 load 0.030347 is 15.5% of average load 0.195357 LDB: Average compute 0.004389 is 2.2% of average load 0.195357 LDB: TIME 6045.49 LOAD: AVG 0.195357 MAX 0.213311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.688 MB LDB: TIME 6045.49 LOAD: AVG 0.195357 MAX 0.213311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.852 MB LDB: TIME 6045.49 LOAD: AVG 0.195357 MAX 0.213311 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.852 MB LDB: ============== END OF LOAD BALANCING =============== 6045.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6045.5 PRESSURE: 1908400 243.827 144.655 149.114 144.656 121.33 -140.935 149.114 -140.936 137.562 GPRESSURE: 1908400 297.773 114.107 91.2293 74.0286 127.213 -86.3756 147.077 -128.63 152.969 PRESSAVG: 1908400 7.26628 6.19841 -0.153821 6.19845 36.8337 9.15945 -0.153805 9.1594 1.99434 GPRESSAVG: 1908400 7.55775 5.00603 -0.834804 6.30028 35.871 8.29667 0.39321 7.64771 2.37752 TIMING: 1908400 CPU: 6033.28, 0.00322323/step Wall: 6033.28, 0.00322323/step, 2.76804 hours remaining, 237.453125 MB of memory in use. ENERGY: 1908400 3979.4753 20567.6270 14622.3371 258.2659 -203628.4773 2781.3971 0.0000 0.0000 52124.2774 -109295.0975 299.5589 -161419.3750 -108927.7392 299.1030 167.5732 192.6519 760710.4498 15.3648 15.2688 PRESSURE: 1908600 128.823 194.54 -213.787 194.54 -134.285 188.76 -213.787 188.76 255.975 GPRESSURE: 1908600 110.118 130.685 -188.974 136.611 67.9552 145.446 -276.333 309.958 158.748 PRESSAVG: 1908600 61.6456 5.96969 80.6349 5.96972 -31.9049 6.37461 80.6349 6.37455 24.9121 GPRESSAVG: 1908600 62.6805 5.67213 79.9912 4.8347 -31.9829 6.04339 80.2514 6.34262 23.5439 TIMING: 1908600 CPU: 6033.91, 0.0031617/step Wall: 6033.91, 0.0031617/step, 2.71503 hours remaining, 237.523438 MB of memory in use. ENERGY: 1908600 4019.6827 20777.5839 14570.6249 267.8759 -203130.0155 2341.5092 0.0000 0.0000 51961.7580 -109190.9808 298.6249 -161152.7389 -108833.0653 299.3577 83.5045 112.2737 761681.2523 18.2176 18.0805 PRESSURE: 1908800 87.3513 -115.286 0.948669 -115.287 -428.501 100.916 0.948203 100.915 38.4118 GPRESSURE: 1908800 70.9949 15.1789 42.4711 -122.934 -329.496 -55.2988 113.57 128.56 36.8702 PRESSAVG: 1908800 -18.5844 -6.50322 -17.0167 -6.50321 -8.36334 68.3928 -17.0167 68.3929 7.45221 GPRESSAVG: 1908800 -20.0033 -6.8339 -15.2993 -3.92461 -7.5053 68.0155 -17.8042 70.0085 8.25171 TIMING: 1908800 CPU: 6034.55, 0.00315708/step Wall: 6034.55, 0.00315708/step, 2.71088 hours remaining, 237.523438 MB of memory in use. ENERGY: 1908800 3923.7420 20615.1966 14450.5775 257.9894 -203053.8015 2425.4744 0.0000 0.0000 52060.6277 -109320.1939 299.1931 -161380.8216 -108957.0098 299.4351 -100.9125 -73.8769 763292.8788 -6.4985 -6.4190 PRESSURE: 1909000 166.123 73.5757 -307.652 73.5753 -513.249 234.24 -307.652 234.241 -275.975 GPRESSURE: 1909000 205.725 -41.7245 -280.863 148.012 -397.464 203.987 -330.884 270.971 -347.072 PRESSAVG: 1909000 9.88366 14.2425 -45.5455 14.2425 40.0222 33.902 -45.5454 33.902 -9.13275 GPRESSAVG: 1909000 11.0481 13.7574 -47.7334 15.6616 39.8782 34.3073 -44.771 34.4693 -9.75981 TIMING: 1909000 CPU: 6035.18, 0.00315503/step Wall: 6035.18, 0.00315503/step, 2.70894 hours remaining, 237.523438 MB of memory in use. ENERGY: 1909000 3958.0764 20683.4195 14485.5388 251.9940 -203441.9648 2627.0009 0.0000 0.0000 51970.2833 -109465.6518 298.6739 -161435.9351 -109094.2348 299.3002 -207.7003 -179.6035 762983.3883 13.5910 13.7222 PRESSURE: 1909200 -95.6114 -101.164 -187.242 -101.164 -14.6336 22.8585 -187.242 22.8581 397.153 GPRESSURE: 1909200 -12.9917 -97.241 -140.717 -172.305 -1.70563 1.61372 -233.33 62.7935 374.817 PRESSAVG: 1909200 34.7399 -63.8101 -45.7558 -63.8101 9.87852 72.8291 -45.7558 72.8291 -7.95064 GPRESSAVG: 1909200 33.9493 -61.0189 -45.7494 -66.4164 9.03079 73.3699 -44.0684 69.9986 -7.12254 TIMING: 1909200 CPU: 6035.81, 0.00315235/step Wall: 6035.81, 0.00315235/step, 2.70647 hours remaining, 237.523438 MB of memory in use. ENERGY: 1909200 3947.3871 20471.8448 14487.1005 235.3113 -203595.0520 2779.8325 0.0000 0.0000 52405.6204 -109267.9554 301.1758 -161673.5758 -108900.1108 299.4088 95.6361 120.0397 761534.4864 12.2226 11.9525 PRESSURE: 1909400 227.489 79.224 210.993 79.2245 -70.6906 105.555 210.993 105.555 203.922 GPRESSURE: 1909400 220.299 36.3546 209.282 168.702 24.8336 106.061 119.273 -3.55257 215.301 PRESSAVG: 1909400 -17.5813 -4.46066 29.7911 -4.46067 -0.370787 68.3783 29.7911 68.3783 9.27085 GPRESSAVG: 1909400 -17.2829 -4.74131 30.1094 -4.73049 -0.410244 68.1478 28.1073 66.9782 8.87735 TIMING: 1909400 CPU: 6036.44, 0.00315889/step Wall: 6036.44, 0.00315889/step, 2.71191 hours remaining, 237.523438 MB of memory in use. ENERGY: 1909400 3960.7301 20575.6054 14496.1778 235.3442 -203505.6702 2628.2284 0.0000 0.0000 52369.7620 -109239.8223 300.9697 -161609.5843 -108870.7293 299.8547 120.2403 153.4777 760031.2193 -2.8937 -2.9386 PRESSURE: 1909600 -76.4677 -15.9571 244.329 -15.9567 304.412 -62.717 244.33 -62.7166 -91.4911 GPRESSURE: 1909600 -12.8657 -128.029 237.276 9.29644 322.418 -1.61264 140.356 10.7853 -91.8882 PRESSAVG: 1909600 0.231499 -22.2574 51.4236 -22.2574 -12.9513 45.1767 51.4237 45.1767 0.864444 GPRESSAVG: 1909600 -0.470118 -24.2717 50.6886 -23.3672 -12.0307 44.8705 49.7234 49.1218 0.313748 TIMING: 1909600 CPU: 6037.07, 0.00317541/step Wall: 6037.07, 0.00317541/step, 2.72592 hours remaining, 237.523438 MB of memory in use. ENERGY: 1909600 4001.6862 20442.2398 14487.4679 234.1605 -203163.2229 2548.9185 0.0000 0.0000 52278.2445 -109170.5056 300.4438 -161448.7500 -108809.4610 299.7206 45.4843 72.5548 760933.2692 -3.9518 -4.0624 PRESSURE: 1909800 187.731 78.9331 84.0494 78.9318 -89.8675 238.914 84.0492 238.916 -110.322 GPRESSURE: 1909800 206.112 11.8303 50.812 71.7642 -39.1657 189.314 82.7587 130.563 -82.3556 PRESSAVG: 1909800 -25.1325 -10.3245 -34.1892 -10.3245 22.5208 22.7555 -34.1892 22.7555 8.59661 GPRESSAVG: 1909800 -24.4303 -7.47647 -33.1779 -9.17493 21.0954 21.9193 -35.4556 21.0738 9.42587 TIMING: 1909800 CPU: 6037.71, 0.00316598/step Wall: 6037.71, 0.00316598/step, 2.71764 hours remaining, 237.523438 MB of memory in use. ENERGY: 1909800 3982.1032 20522.6607 14451.0222 241.6907 -203492.5174 2635.6755 0.0000 0.0000 52262.1213 -109397.2439 300.3511 -161659.3651 -109038.3733 299.4719 -4.1527 28.1968 760383.3808 1.9950 2.0303 PRESSURE: 1910000 -104.327 -178.875 -119.905 -178.874 243.522 238.719 -119.905 238.719 -33.9361 GPRESSURE: 1910000 -91.2325 -254.852 -124.282 -105.575 334.072 327.882 -143.141 201.218 -44.0724 PRESSAVG: 1910000 11.4575 1.82972 7.87338 1.82974 18.5688 10.1725 7.87341 10.1725 -5.9625 GPRESSAVG: 1910000 11.5222 -1.04761 7.75869 5.41403 19.7795 9.15309 11.6582 8.712 -7.11207 TIMING: 1910000 CPU: 6038.34, 0.00315438/step Wall: 6038.34, 0.00315438/step, 2.70751 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: 1910000 3983.3969 20454.2710 14417.0795 259.3404 -203573.0180 2718.1944 0.0000 0.0000 52019.2104 -109721.5255 298.9551 -161740.7359 -109362.8260 298.9179 35.0861 66.2556 762052.3580 8.0212 8.0632 PRESSURE: 1910200 -32.8229 -15.5913 -88.6414 -15.5911 -350.141 249.259 -88.6412 249.259 245.971 GPRESSURE: 1910200 -23.404 45.7656 -44.1487 140.88 -249.722 265.015 -19.0552 191.612 206.561 PRESSAVG: 1910200 -20.2687 -7.53963 -17.6341 -7.53972 -22.233 48.0639 -17.634 48.064 12.7444 GPRESSAVG: 1910200 -21.0224 -5.38188 -16.7186 -9.61878 -21.707 49.3418 -18.5285 50.6712 12.8049 TIMING: 1910200 CPU: 6038.97, 0.00316436/step Wall: 6038.97, 0.00316436/step, 2.7159 hours remaining, 237.523438 MB of memory in use. ENERGY: 1910200 4040.6949 20404.7167 14437.8651 235.8031 -202669.5996 2157.1304 0.0000 0.0000 51936.4966 -109456.8928 298.4798 -161393.3894 -109090.2589 298.6632 -45.6646 -22.1885 763030.1208 -9.9191 -9.9749 PRESSURE: 1910400 -36.1623 10.1851 152.86 10.1857 -122.187 120.383 152.859 120.383 196.324 GPRESSURE: 1910400 -71.5886 -58.6044 147.175 -36.6944 -76.4193 101.241 186.776 118.49 257.467 PRESSAVG: 1910400 -5.63278 24.1404 19.7412 24.1405 -12.4577 10.2117 19.7413 10.2117 -16.7458 GPRESSAVG: 1910400 -5.28014 24.4668 19.3832 23.5961 -13.4944 10.5266 18.4287 8.50084 -16.1389 TIMING: 1910400 CPU: 6039.61, 0.0031813/step Wall: 6039.61, 0.0031813/step, 2.73026 hours remaining, 237.523438 MB of memory in use. ENERGY: 1910400 3957.9327 20535.8552 14509.5556 235.9609 -203271.2861 2543.7472 0.0000 0.0000 51947.3719 -109540.8626 298.5423 -161488.2344 -109171.3232 298.9552 12.6581 36.4865 761637.5426 -11.6121 -11.6378 PRESSURE: 1910600 -203.608 27.8217 198.685 27.8217 115.588 -327.325 198.684 -327.324 116.416 GPRESSURE: 1910600 -115.282 -63.2716 225.081 69.5586 141.543 -314.426 106.285 -245.496 110.799 PRESSAVG: 1910600 0.959402 -14.5236 25.2765 -14.5236 26.9953 -24.6508 25.2765 -24.6508 31.5568 GPRESSAVG: 1910600 1.82322 -16.6758 24.9613 -13.8173 25.9915 -23.379 25.1287 -24.5905 31.1931 TIMING: 1910600 CPU: 6040.24, 0.00316567/step Wall: 6040.24, 0.00316567/step, 2.71667 hours remaining, 237.523438 MB of memory in use. ENERGY: 1910600 3970.8212 20418.5531 14444.0194 260.8063 -203436.6141 2708.2415 0.0000 0.0000 52217.5745 -109416.5981 300.0951 -161634.1726 -109053.7668 299.0756 9.4654 45.6867 761818.3224 19.8372 19.6693 PRESSURE: 1910800 -148.305 121.121 106.438 121.122 209.458 -61.7108 106.439 -61.7101 -48.5554 GPRESSURE: 1910800 -139.456 40.5703 68.7414 167.665 230.106 -23.7071 162.586 -152.302 9.76739 PRESSAVG: 1910800 -39.5881 -50.074 34.9047 -50.0741 72.7814 -4.1863 34.9047 -4.18636 19.8294 GPRESSAVG: 1910800 -39.2719 -49.9262 35.3771 -50.7218 73.0094 -5.00269 34.9037 -4.16708 19.122 TIMING: 1910800 CPU: 6040.87, 0.00316052/step Wall: 6040.87, 0.00316052/step, 2.71208 hours remaining, 237.523438 MB of memory in use. ENERGY: 1910800 4040.5256 20556.1794 14502.1627 256.2249 -203409.7507 2626.5355 0.0000 0.0000 52049.2710 -109378.8515 299.1279 -161428.1225 -109016.2362 298.8464 4.1991 33.4724 762937.7147 17.6742 17.6199 PRESSURE: 1911000 220.478 -190.891 117.003 -190.891 -38.3819 158.777 117.002 158.777 106.668 GPRESSURE: 1911000 308.08 -172.277 136.745 -290.396 -69.7579 106.582 19.8737 78.7569 118.569 PRESSAVG: 1911000 35.1871 -26.2887 -37.1619 -26.2887 -32.4873 57.3173 -37.1619 57.3174 -8.13532 GPRESSAVG: 1911000 34.0051 -26.2935 -37.574 -25.58 -32.7329 57.2409 -35.3945 56.5616 -6.45063 TIMING: 1911000 CPU: 6041.5, 0.00315733/step Wall: 6041.5, 0.00315733/step, 2.70917 hours remaining, 237.523438 MB of memory in use. ENERGY: 1911000 3988.2998 20539.8749 14427.6509 250.5292 -203752.5948 2756.6419 0.0000 0.0000 52413.3968 -109376.2012 301.2205 -161789.5980 -109021.0860 299.2730 96.2544 118.9636 761296.1281 -1.8119 -1.7261 PRESSURE: 1911200 148.44 -68.1526 131.54 -68.153 326.704 11.5601 131.54 11.56 -65.9608 GPRESSURE: 1911200 153.257 -31.5236 121.222 35.8944 248.043 32.6035 158.002 54.1271 88.5024 PRESSAVG: 1911200 0.44433 -58.2474 -18.1669 -58.2474 8.83118 16.3094 -18.1669 16.3094 1.83801 GPRESSAVG: 1911200 0.971472 -58.5582 -18.8026 -57.9364 8.2713 14.5228 -19.7978 18.1855 1.81701 TIMING: 1911200 CPU: 6042.14, 0.00316757/step Wall: 6042.14, 0.00316757/step, 2.71778 hours remaining, 237.523438 MB of memory in use. ENERGY: 1911200 4051.9836 20749.1422 14510.1512 233.8849 -203551.5005 2693.1075 0.0000 0.0000 51973.6635 -109339.5677 298.6934 -161313.2312 -108985.8702 299.4602 136.3943 163.2675 760539.1792 3.7045 3.6866 PRESSURE: 1911400 -4.89374 42.858 46.7511 42.8571 -121.661 101.001 46.7516 101.001 -104.089 GPRESSURE: 1911400 -6.05505 12.7073 -20.9354 -28.2729 -85.2496 155.186 57.3091 63.2974 -63.7248 PRESSAVG: 1911400 56.4475 -23.6664 29.2415 -23.6665 -39.269 1.13859 29.2415 1.13861 -8.75358 GPRESSAVG: 1911400 56.1349 -23.0227 29.768 -26.871 -37.8475 4.55252 29.8537 -0.0906698 -9.42316 TIMING: 1911400 CPU: 6042.77, 0.00317869/step Wall: 6042.77, 0.00317869/step, 2.72714 hours remaining, 237.523438 MB of memory in use. ENERGY: 1911400 3991.5617 20569.5776 14516.8923 266.8061 -203622.2950 2716.8370 0.0000 0.0000 52082.5127 -109478.1076 299.3189 -161560.6204 -109128.5731 298.9892 -76.8814 -51.6765 761534.5873 2.8083 2.9547 PRESSURE: 1911600 -160.094 143.203 45.4024 143.203 175.827 15.3137 45.4018 15.3137 212.847 GPRESSURE: 1911600 -10.971 84.8445 52.9861 214.714 136.024 28.0051 73.9117 38.2975 202.204 PRESSAVG: 1911600 -0.719617 -28.5205 19.8962 -28.5205 -17.1321 34.3615 19.8962 34.3616 0.994214 GPRESSAVG: 1911600 -0.449727 -28.9084 21.5718 -25.9269 -17.2207 33.744 17.977 35.7305 0.742114 TIMING: 1911600 CPU: 6043.41, 0.0031719/step Wall: 6043.41, 0.0031719/step, 2.72114 hours remaining, 237.523438 MB of memory in use. ENERGY: 1911600 4088.6065 20482.2001 14447.0205 261.1961 -203373.3067 2612.3324 0.0000 0.0000 52204.0998 -109277.8512 300.0177 -161481.9510 -108912.7185 299.3067 76.1932 109.0855 762029.8544 -5.6192 -5.6428 PRESSURE: 1911800 46.4618 -7.24035 112.917 -7.24006 -790.945 12.9586 112.917 12.9589 -48.8118 GPRESSURE: 1911800 14.5939 103.137 88.1546 -11.8979 -622.308 49.4253 141.352 -42.1337 -90.8066 PRESSAVG: 1911800 34.2606 -21.9573 20.7657 -21.9573 -48.321 11.2314 20.7657 11.2314 -1.76656 GPRESSAVG: 1911800 32.5053 -21.473 18.1013 -21.6136 -47.4096 9.77706 24.3298 11.3273 -0.978814 TIMING: 1911800 CPU: 6044.04, 0.00316996/step Wall: 6044.04, 0.00316996/step, 2.7193 hours remaining, 237.523438 MB of memory in use. ENERGY: 1911800 4024.2925 20366.5830 14561.7670 236.9580 -203249.1486 2549.5321 0.0000 0.0000 52369.3362 -109140.6798 300.9673 -161510.0159 -108781.5675 299.9310 -264.4315 -232.8403 763077.2202 -5.2757 -5.2944 PRESSURE: 1912000 -55.2318 95.7542 -215.729 95.7544 286.396 -161.739 -215.729 -161.739 104.737 GPRESSURE: 1912000 -8.01264 122.111 -153.361 206.991 218.105 -206.44 -299.316 -48.3465 200.4 PRESSAVG: 1912000 17.9266 5.05002 -49.3474 5.05004 21.4908 56.4872 -49.3474 56.4872 -14.7152 GPRESSAVG: 1912000 18.7848 4.13387 -48.2961 5.45161 20.6511 56.3683 -52.2988 57.8133 -15.1364 TIMING: 1912000 CPU: 6044.67, 0.00315637/step Wall: 6044.67, 0.00315637/step, 2.70746 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: 1912000 4067.7849 20521.1011 14585.7170 251.8992 -203534.8377 2845.7945 0.0000 0.0000 52081.2589 -109181.2821 299.3117 -161262.5410 -108829.7732 299.9211 111.9669 136.8308 758829.4714 8.2341 8.0998 PRESSURE: 1912200 -97.3428 152.34 -59.9089 152.341 -9.26077 -246.981 -59.9089 -246.981 -92.4529 GPRESSURE: 1912200 -127.238 166.384 -17.7676 75.4955 87.4761 -251.026 -166.24 -97.8871 -80.6668 PRESSAVG: 1912200 34.1189 36.8009 -48.5506 36.8009 -42.225 24.1492 -48.5506 24.1491 -23.7506 GPRESSAVG: 1912200 34.1385 37.6138 -48.7789 37.6076 -41.4911 25.6597 -48.2495 21.3297 -23.8796 TIMING: 1912200 CPU: 6045.3, 0.00315619/step Wall: 6045.3, 0.00315619/step, 2.70714 hours remaining, 237.523438 MB of memory in use. ENERGY: 1912200 3940.6315 20591.8144 14517.9938 256.2884 -202789.1825 2175.0435 0.0000 0.0000 51815.1314 -109492.2795 297.7823 -161307.4109 -109136.1177 299.5658 -66.3521 -40.1430 762570.0726 -10.6189 -10.4107 LDB: ============= START OF LOAD BALANCING ============== 6057.84 LDB: ============== END OF LOAD BALANCING =============== 6057.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6057.84 LDB: ============= START OF LOAD BALANCING ============== 6058.15 LDB: Largest compute 7049 load 0.031077 is 15.9% of average load 0.195487 LDB: Average compute 0.004381 is 2.2% of average load 0.195487 LDB: TIME 6058.16 LOAD: AVG 0.195487 MAX 0.214274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 6058.16 LOAD: AVG 0.195487 MAX 0.214274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: TIME 6058.16 LOAD: AVG 0.195487 MAX 0.214274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: ============== END OF LOAD BALANCING =============== 6058.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6058.16 PRESSURE: 1912400 30.3014 157.957 78.504 157.957 -63.5785 14.3646 78.5048 14.365 -442.341 GPRESSURE: 1912400 60.5104 73.7799 139.062 163.476 -60.9125 49.0993 85.4146 37.6699 -385.76 PRESSAVG: 1912400 -10.1696 26.8833 10.8609 26.8832 -17.7393 16.3672 10.8609 16.3673 -14.2238 GPRESSAVG: 1912400 -10.0471 27.0712 10.3382 25.072 -18.0584 16.671 13.3947 16.9782 -13.8149 TIMING: 1912400 CPU: 6045.95, 0.00321846/step Wall: 6045.95, 0.00321846/step, 2.76037 hours remaining, 234.738281 MB of memory in use. ENERGY: 1912400 4121.1939 20334.6197 14529.3987 257.2978 -203674.2075 2895.9659 0.0000 0.0000 52299.2394 -109236.4923 300.5644 -161535.7316 -108877.0406 299.1831 -158.5392 -128.7205 762670.5442 -14.0443 -13.9735 PRESSURE: 1912600 17.3094 -123.033 108.602 -123.033 118.02 62.4141 108.601 62.4139 -225.821 GPRESSURE: 1912600 87.8935 -56.5376 123.526 -92.8973 86.7206 71.8409 16.4562 160.321 -181.434 PRESSAVG: 1912600 14.2319 30.9428 -16.5862 30.9428 -6.7372 50.3788 -16.5863 50.3787 1.92565 GPRESSAVG: 1912600 14.2869 31.495 -16.8226 29.2337 -6.50153 48.7516 -18.8093 50.4673 1.62543 TIMING: 1912600 CPU: 6046.58, 0.00314899/step Wall: 6046.58, 0.00314899/step, 2.70061 hours remaining, 234.738281 MB of memory in use. ENERGY: 1912600 4064.3698 20477.9062 14467.6849 273.1930 -203338.7368 2651.0823 0.0000 0.0000 52104.0719 -109300.4287 299.4428 -161404.5006 -108939.1027 299.0912 -30.1637 -2.2733 762423.6983 3.1401 3.1369 PRESSURE: 1912800 -17.1274 157.539 -58.4622 157.54 19.0885 201.865 -58.4631 201.864 -14.9345 GPRESSURE: 1912800 -29.646 56.2276 -144.811 195.534 138.449 169.204 -89.7142 228.515 -43.3274 PRESSAVG: 1912800 -46.1721 -18.8415 8.3968 -18.8415 39.9119 52.456 8.39678 52.456 12.7748 GPRESSAVG: 1912800 -46.4624 -19.8231 8.50745 -16.2286 39.6946 53.4612 8.61644 51.5204 12.608 TIMING: 1912800 CPU: 6047.21, 0.00314354/step Wall: 6047.21, 0.00314354/step, 2.69576 hours remaining, 234.738281 MB of memory in use. ENERGY: 1912800 3982.0223 20510.1873 14502.9516 273.7277 -203469.1773 2859.3474 0.0000 0.0000 52154.7230 -109186.2180 299.7339 -161340.9410 -108822.6896 299.1918 -4.3245 21.8250 762017.9214 2.1715 1.9468 PRESSURE: 1913000 -172.949 29.5551 -114.646 29.5555 18.7164 -47.7067 -114.646 -47.7062 -155 GPRESSURE: 1913000 -123.623 14.4013 -103.34 116.421 -25.1107 -107.798 -130.722 -47.5213 -82.7188 PRESSAVG: 1913000 -11.5723 -1.66977 8.91694 -1.66977 -11.7047 -1.61804 8.91698 -1.61811 10.575 GPRESSAVG: 1913000 -12.1033 -2.50096 8.82199 -1.1258 -12.4649 -0.778068 8.14317 -3.84355 11.5461 TIMING: 1913000 CPU: 6047.83, 0.00313344/step Wall: 6047.83, 0.00313344/step, 2.68693 hours remaining, 234.738281 MB of memory in use. ENERGY: 1913000 3964.8832 20722.8036 14499.4811 257.7527 -202708.7336 2236.7143 0.0000 0.0000 52044.0109 -108983.0879 299.0976 -161027.0987 -108620.1140 299.5996 -103.0775 -77.1508 763269.0130 -4.2340 -4.3407 PRESSURE: 1913200 67.0214 -159.817 -114.387 -159.817 20.9993 -195.878 -114.387 -195.878 69.5915 GPRESSURE: 1913200 22.2723 -166.912 12.311 -104.314 82.7504 -207.045 -230.524 -327.215 128.799 PRESSAVG: 1913200 -28.3851 -39.2241 -47.2663 -39.2241 29.5636 52.4715 -47.2663 52.4715 -7.50334 GPRESSAVG: 1913200 -27.128 -39.9939 -47.8054 -39.759 28.6497 52.7667 -46.0164 53.5257 -7.68685 TIMING: 1913200 CPU: 6048.46, 0.00315406/step Wall: 6048.46, 0.00315406/step, 2.70443 hours remaining, 234.738281 MB of memory in use. ENERGY: 1913200 4010.5905 20673.9882 14561.6851 245.4468 -203254.2540 2709.4907 0.0000 0.0000 52003.4974 -109049.5554 298.8648 -161053.0528 -108688.9639 299.6165 52.5374 77.9406 761469.9099 -2.1083 -2.0551 PRESSURE: 1913400 233.985 -50.6438 -89.5309 -50.6441 203.321 63.1605 -89.5304 63.1608 299.011 GPRESSURE: 1913400 227.095 -3.33891 -46.1982 -36.5392 234.792 58.6343 -179.647 47.535 363.049 PRESSAVG: 1913400 -31.9949 -31.228 3.22483 -31.228 10.1726 0.0873437 3.2248 0.0873039 -7.01596 GPRESSAVG: 1913400 -33.1102 -31.184 3.36442 -30.6357 11.1596 -1.02621 2.4971 0.643749 -7.45227 TIMING: 1913400 CPU: 6049.09, 0.00313245/step Wall: 6049.09, 0.00313245/step, 2.68573 hours remaining, 234.738281 MB of memory in use. ENERGY: 1913400 3957.6601 20654.4208 14437.5579 246.3169 -203280.7171 2816.0813 0.0000 0.0000 52139.0237 -109029.6564 299.6437 -161168.6801 -108671.8467 300.0383 245.4392 274.9784 760319.9843 -9.6127 -9.8009 PRESSURE: 1913600 -80.7649 -61.5649 -41.2609 -61.5655 -160.35 -182.983 -41.2604 -182.982 309.086 GPRESSURE: 1913600 18.2934 -44.196 -64.9898 -42.3998 -174.106 -117.338 79.2496 -321.99 293.4 PRESSAVG: 1913600 17.0553 43.1613 23.7506 43.1613 -2.15426 -29.7065 23.7505 -29.7064 -24.0299 GPRESSAVG: 1913600 16.357 44.6995 24.1036 41.4775 -2.4235 -28.7971 26.8335 -30.46 -22.8033 TIMING: 1913600 CPU: 6049.72, 0.00314107/step Wall: 6049.72, 0.00314107/step, 2.69294 hours remaining, 234.738281 MB of memory in use. ENERGY: 1913600 3935.7027 20328.0004 14471.0748 242.8289 -203007.8721 2435.6304 0.0000 0.0000 52282.4043 -109312.2305 300.4677 -161594.6348 -108937.6861 299.3063 22.6569 45.8626 761750.8782 -3.0430 -2.9566 PRESSURE: 1913800 236.533 -23.9466 -100.055 -23.9466 -145.874 47.591 -100.056 47.5915 292.095 GPRESSURE: 1913800 275.05 -168.991 85.856 -64.5539 -73.4533 32.1393 -257.282 49.8538 266.749 PRESSAVG: 1913800 -42.3446 -31.0405 -0.130739 -31.0405 24.758 -56.9401 -0.130662 -56.9401 -6.92525 GPRESSAVG: 1913800 -42.4157 -31.5208 0.121333 -29.5976 26.0029 -57.7278 -2.02788 -55.4954 -8.13459 TIMING: 1913800 CPU: 6050.35, 0.00313871/step Wall: 6050.35, 0.00313871/step, 2.69074 hours remaining, 234.738281 MB of memory in use. ENERGY: 1913800 3876.1287 20614.0299 14462.7536 247.1266 -203149.1488 2784.8678 0.0000 0.0000 52107.3426 -109056.8996 299.4616 -161164.2422 -108705.9974 299.1447 127.5844 156.1153 762929.0882 -8.1706 -8.1825 PRESSURE: 1914000 -289.068 -19.9004 103.982 -19.9006 -300.939 247.415 103.981 247.415 54.5039 GPRESSURE: 1914000 -286.899 28.0725 147.465 36.6609 -194.918 226.026 59.9159 194.154 48.984 PRESSAVG: 1914000 -48.9238 -22.915 71.8081 -22.915 27.8479 14.1636 71.8081 14.1637 35.0479 GPRESSAVG: 1914000 -49.3373 -23.0514 71.065 -22.478 28.0827 13.1306 70.9797 14.2009 34.8028 TIMING: 1914000 CPU: 6050.98, 0.00315836/step Wall: 6050.98, 0.00315836/step, 2.70742 hours remaining, 234.738281 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: 1914000 3996.5788 20512.3086 14533.3639 244.4417 -202846.2135 2526.2738 0.0000 0.0000 52086.6277 -108946.6189 299.3426 -161033.2466 -108590.4275 299.4398 -178.5010 -144.2778 763817.3928 4.6573 4.5160 PRESSURE: 1914200 30.6171 -57.2701 -70.2086 -57.2705 322.883 -83.9359 -70.2079 -83.9366 161.875 GPRESSURE: 1914200 162.797 -26.9787 -111.143 29.2528 303.6 -62.272 -33.7849 -230.387 130.136 PRESSAVG: 1914200 -4.47 -16.3946 -11.5908 -16.3946 1.78624 -15.1028 -11.5908 -15.1028 -18.6945 GPRESSAVG: 1914200 -2.08257 -16.9361 -11.9824 -15.6522 -0.6514 -15.3808 -10.2587 -16.5865 -18.737 TIMING: 1914200 CPU: 6051.61, 0.00314467/step Wall: 6051.61, 0.00314467/step, 2.6955 hours remaining, 234.738281 MB of memory in use. ENERGY: 1914200 3878.7591 20540.0212 14554.0323 255.2230 -203065.2767 2586.5380 0.0000 0.0000 52299.8070 -108950.8961 300.5677 -161250.7031 -108589.0361 299.8919 171.7918 198.8446 763116.2852 -7.1261 -7.1570 PRESSURE: 1914400 301.007 -94.3551 -76.2321 -94.3545 209.867 -351.919 -76.2313 -351.92 148.58 GPRESSURE: 1914400 314.5 -33.4638 -114.039 -9.97633 269.011 -300.715 -67.2348 -214.669 168.896 PRESSAVG: 1914400 -19.0657 70.816 -21.3644 70.816 19.1401 6.17714 -21.3644 6.17707 31.2039 GPRESSAVG: 1914400 -20.428 73.2058 -20.4624 67.457 19.3301 7.31547 -23.4264 7.6538 32.6201 TIMING: 1914400 CPU: 6052.23, 0.00313496/step Wall: 6052.23, 0.00313496/step, 2.68701 hours remaining, 234.738281 MB of memory in use. ENERGY: 1914400 3934.3106 20508.5753 14581.4819 243.8713 -203442.6189 2725.5126 0.0000 0.0000 52319.7555 -109129.1117 300.6824 -161448.8672 -108771.1740 299.7573 219.8183 250.8023 761401.6401 10.4261 10.5074 PRESSURE: 1914600 119.035 12.156 -91.1812 12.1559 -90.8971 68.4399 -91.181 68.4394 307.563 GPRESSURE: 1914600 98.6826 -97.6954 -128.571 18.5989 -71.5341 181.964 -155.649 -106.334 388.65 PRESSAVG: 1914600 -36.9514 33.5683 2.66174 33.5683 33.5096 35.1291 2.66175 35.129 24.4153 GPRESSAVG: 1914600 -37.0444 29.1882 2.28111 36.7496 34.8168 34.7962 3.24198 36.3168 23.6491 TIMING: 1914600 CPU: 6052.86, 0.00312436/step Wall: 6052.86, 0.00312436/step, 2.67775 hours remaining, 234.738281 MB of memory in use. ENERGY: 1914600 3990.9486 20468.4638 14512.0303 247.7035 -203379.3133 2838.5212 0.0000 0.0000 52369.9048 -108951.7412 300.9706 -161321.6460 -108587.3754 299.9641 111.9003 138.5995 761845.2333 6.9911 7.1405 PRESSURE: 1914800 70.7868 -248.747 -71.4375 -248.747 478.765 -172.611 -71.4372 -172.612 -23.4925 GPRESSURE: 1914800 124.996 -183.637 -100.272 -230.857 481.058 -125.016 26.475 -148.645 13.2232 PRESSAVG: 1914800 -54.0433 45.1847 -9.69886 45.1846 49.8745 22.1182 -9.6988 22.1183 -13.2859 GPRESSAVG: 1914800 -53.8944 50.42 -10.3976 41.9597 49.861 22.699 -8.71525 18.6253 -13.7678 TIMING: 1914800 CPU: 6053.49, 0.00313633/step Wall: 6053.49, 0.00313633/step, 2.68784 hours remaining, 234.941406 MB of memory in use. ENERGY: 1914800 3978.0703 20486.3365 14526.5701 239.8391 -203308.6993 2799.4199 0.0000 0.0000 52361.7753 -108916.6880 300.9238 -161278.4633 -108541.3897 299.9610 175.3530 206.4256 761708.5270 -5.8182 -5.9337 PRESSURE: 1915000 -279.041 -52.3453 45.0853 -52.3457 -392.457 -166.702 45.0852 -166.7 36.6999 GPRESSURE: 1915000 -249.151 69.3011 80.004 -64.8191 -272.489 -95.742 28.5594 -159.45 -29.2212 PRESSAVG: 1915000 -44.9194 21.8065 -3.40541 21.8066 62.1736 -0.0578668 -3.40538 -0.0578103 -12.8707 GPRESSAVG: 1915000 -45.0698 20.3783 -1.94097 24.4743 62.0858 0.734707 -3.81326 1.44929 -12.859 TIMING: 1915000 CPU: 6054.11, 0.0031305/step Wall: 6054.11, 0.0031305/step, 2.68266 hours remaining, 234.941406 MB of memory in use. ENERGY: 1915000 3970.5218 20577.1103 14553.4882 244.2097 -202901.9981 2430.9571 0.0000 0.0000 51911.7480 -109213.9629 298.3375 -161125.7109 -108846.8572 299.5680 -211.5995 -183.6205 763403.1065 1.4612 1.3856 PRESSURE: 1915200 -97.2436 53.7567 -30.2396 53.7563 322.383 -40.6422 -30.2393 -40.642 176.597 GPRESSURE: 1915200 -5.58925 12.8124 -55.6885 54.0719 358.048 4.43754 -61.4901 2.39815 133.005 PRESSAVG: 1915200 -59.0768 23.9515 -19.5061 23.9516 61.3107 20.4507 -19.506 20.4507 -5.76109 GPRESSAVG: 1915200 -59.7329 20.6079 -19.4062 23.2091 62.6899 20.7131 -21.5479 20.1052 -6.58177 TIMING: 1915200 CPU: 6054.74, 0.00314541/step Wall: 6054.74, 0.00314541/step, 2.69526 hours remaining, 234.941406 MB of memory in use. ENERGY: 1915200 4014.0185 20590.2760 14462.9205 250.3451 -203456.0837 2866.6449 0.0000 0.0000 52179.6363 -109092.2424 299.8771 -161271.8787 -108736.0979 299.3644 133.9122 161.8212 762149.5480 -1.1758 -1.2083 PRESSURE: 1915400 96.3305 -154.415 -180.224 -154.415 -244.153 -32.38 -180.224 -32.3786 -246.018 GPRESSURE: 1915400 129.27 -206.583 -182.531 -119.611 -199.395 2.40949 -32.0728 -47.7788 -220.962 PRESSAVG: 1915400 1.42636 -8.93311 -50.4359 -8.93312 -1.41286 27.532 -50.4359 27.5321 -8.79658 GPRESSAVG: 1915400 2.44328 -7.5459 -51.2735 -9.00777 -2.86248 28.8508 -48.0647 27.5564 -8.44469 TIMING: 1915400 CPU: 6055.37, 0.00313066/step Wall: 6055.37, 0.00313066/step, 2.68245 hours remaining, 234.941406 MB of memory in use. ENERGY: 1915400 4032.3225 20627.0232 14544.2129 261.2813 -203216.8686 2624.5977 0.0000 0.0000 52065.1623 -109062.2687 299.2192 -161127.4310 -108694.7935 299.3549 -131.2802 -97.0291 761957.1621 -2.9277 -2.9546 PRESSURE: 1915600 -23.8675 243.749 -105.569 243.749 -150.076 100.387 -105.57 100.387 53.5891 GPRESSURE: 1915600 59.8487 161.256 -73.4376 251.88 -238.172 168.243 -111.327 -0.843551 147.951 PRESSAVG: 1915600 -11.7987 0.902583 37.094 0.902617 -7.77872 -12.827 37.094 -12.827 3.47233 GPRESSAVG: 1915600 -12.3427 0.0210343 38.783 2.53565 -6.86573 -14.64 36.6105 -11.9354 3.08693 TIMING: 1915600 CPU: 6056, 0.00315062/step Wall: 6056, 0.00315062/step, 2.69938 hours remaining, 234.941406 MB of memory in use. ENERGY: 1915600 4034.1188 20704.8199 14534.5338 249.9618 -203498.7929 2900.4350 0.0000 0.0000 51947.6165 -109127.3070 298.5437 -161074.9236 -108772.6467 299.3993 -40.1182 -10.1238 762134.3992 -5.3683 -5.3738 PRESSURE: 1915800 -294.403 -67.8236 -87.0923 -67.8244 -297.568 19.8982 -87.0918 19.8985 -208.041 GPRESSURE: 1915800 -253.385 -77.8062 -79.4065 -29.2586 -153.894 29.5758 -189.755 -26.3064 -314.55 PRESSAVG: 1915800 -43.1856 25.4288 -61.5773 25.4288 45.6865 -11.7789 -61.5774 -11.7788 11.9384 GPRESSAVG: 1915800 -42.2645 26.2494 -63.5885 23.7841 43.5471 -10.8281 -60.7186 -12.7319 13.3893 TIMING: 1915800 CPU: 6056.63, 0.00314418/step Wall: 6056.63, 0.00314418/step, 2.69369 hours remaining, 234.941406 MB of memory in use. ENERGY: 1915800 3999.5239 20501.9008 14578.0480 242.3451 -203285.7501 2884.7993 0.0000 0.0000 52201.5839 -108877.5491 300.0032 -161079.1330 -108523.3046 300.1366 -266.6709 -240.6099 763510.6806 4.8131 4.8906 PRESSURE: 1916000 350.999 65.5145 19.0159 65.5151 134.461 1.58631 19.0169 1.585 -73.4289 GPRESSURE: 1916000 435.802 65.5869 44.5544 -14.2584 126.649 80.4061 10.2314 -209.973 -56.3735 PRESSAVG: 1916000 24.8348 24.1945 -15.9179 24.1945 4.91147 11.795 -15.9179 11.795 -10.3841 GPRESSAVG: 1916000 23.7411 24.2436 -14.5865 23.6432 7.68497 13.0446 -17.4783 9.59397 -11.5892 TIMING: 1916000 CPU: 6057.25, 0.00313892/step Wall: 6057.25, 0.00313892/step, 2.68901 hours remaining, 234.941406 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: 1916000 3984.1326 20620.0010 14588.7881 251.9303 -203464.8813 2773.5088 0.0000 0.0000 52498.2145 -108748.3060 301.7080 -161246.5205 -108393.7690 300.7276 137.3438 168.6924 760357.5901 6.4540 6.6123 PRESSURE: 1916200 173.394 42.851 -154.307 42.8502 148.662 -132.128 -154.308 -132.128 -33.1417 GPRESSURE: 1916200 191.061 32.7603 -143.286 -18.9935 222.914 5.01662 -296.463 -242.488 -62.5775 PRESSAVG: 1916200 62.4806 -30.3526 12.3178 -30.3526 0.402211 -8.40315 12.3178 -8.40314 -15.2323 GPRESSAVG: 1916200 62.9039 -28.4146 12.307 -29.3573 -0.604107 -11.0299 13.2699 -8.33157 -14.753 TIMING: 1916200 CPU: 6057.88, 0.00313744/step Wall: 6057.88, 0.00313744/step, 2.68756 hours remaining, 234.941406 MB of memory in use. ENERGY: 1916200 3995.8748 20494.7838 14539.8069 257.7980 -202951.1779 2685.1634 0.0000 0.0000 52196.3461 -108781.4048 299.9731 -160977.7509 -108422.6187 300.3948 96.3046 117.1325 763368.4315 15.8835 15.8489 LDB: ============= START OF LOAD BALANCING ============== 6070.41 LDB: ============== END OF LOAD BALANCING =============== 6070.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6070.41 LDB: ============= START OF LOAD BALANCING ============== 6070.73 LDB: Largest compute 7049 load 0.033244 is 17.0% of average load 0.195571 LDB: Average compute 0.004384 is 2.2% of average load 0.195571 LDB: TIME 6070.73 LOAD: AVG 0.195571 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.023 MB LDB: TIME 6070.73 LOAD: AVG 0.195571 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.117 MB LDB: TIME 6070.73 LOAD: AVG 0.195571 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.117 MB LDB: ============== END OF LOAD BALANCING =============== 6070.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6070.74 PRESSURE: 1916400 175.737 -97.9613 -104.007 -97.9604 -458.156 -168.167 -104.008 -168.168 -77.1065 GPRESSURE: 1916400 135.544 -144.993 -49.7602 -80.6302 -363.89 -195.548 -83.2433 -88.6611 -58.5378 PRESSAVG: 1916400 84.306 -3.33498 18.7863 -3.33502 -91.5292 -7.05785 18.7863 -7.0578 -30.6072 GPRESSAVG: 1916400 84.5094 -3.19091 17.9677 -3.21597 -91.934 -6.71571 21.9974 -3.87222 -30.362 TIMING: 1916400 CPU: 6058.52, 0.0032066/step Wall: 6058.52, 0.0032066/step, 2.74663 hours remaining, 236.480469 MB of memory in use. ENERGY: 1916400 3938.6754 20394.2119 14522.8606 263.6781 -202763.1484 2540.0429 0.0000 0.0000 52349.9834 -108753.6962 300.8561 -161103.6795 -108392.5234 300.2714 -119.8418 -95.6279 761983.0909 -12.6101 -12.5956 PRESSURE: 1916600 152.439 -71.004 -51.6561 -71.0045 24.3495 -59.7541 -51.6558 -59.7535 95.4177 GPRESSURE: 1916600 201.186 -9.29062 45.7971 -130.408 150.185 33.8564 22.9535 -310.397 30.9876 PRESSAVG: 1916600 49.5335 -22.1549 -25.7738 -22.1549 -23.7702 -41.7131 -25.7738 -41.7131 5.28816 GPRESSAVG: 1916600 48.7752 -23.6282 -24.7658 -22.9458 -22.8802 -40.3721 -29.1777 -44.7262 4.88493 TIMING: 1916600 CPU: 6059.15, 0.00314802/step Wall: 6059.15, 0.00314802/step, 2.69628 hours remaining, 236.480469 MB of memory in use. ENERGY: 1916600 3996.4277 20457.0984 14528.0684 231.2235 -203186.2031 2739.4982 0.0000 0.0000 52351.8659 -108882.0210 300.8669 -161233.8869 -108517.2963 299.9844 90.7355 127.4530 760518.3533 10.3505 10.2600 PRESSURE: 1916800 17.9666 -30.4202 67.1099 -30.4198 -329.655 55.377 67.11 55.3781 -310.931 GPRESSURE: 1916800 -71.5627 -120.98 71.0297 15.2304 -107.368 48.6073 26.2603 53.3967 -350.498 PRESSAVG: 1916800 42.4899 -62.4196 5.40064 -62.4196 -36.4543 -12.3637 5.40064 -12.3637 -2.34393 GPRESSAVG: 1916800 42.3211 -62.7034 5.1462 -62.2124 -36.3957 -12.2296 6.44564 -10.906 -2.08789 TIMING: 1916800 CPU: 6059.78, 0.00314752/step Wall: 6059.78, 0.00314752/step, 2.69568 hours remaining, 236.480469 MB of memory in use. ENERGY: 1916800 3992.9521 20661.4051 14565.7377 234.1294 -202930.3685 2637.7951 0.0000 0.0000 52104.5448 -108733.8043 299.4455 -160838.3491 -108366.0062 299.8778 -207.5396 -176.4764 762324.0476 1.2306 1.2792 PRESSURE: 1917000 -31.1941 33.0701 241.436 33.0714 16.5463 -96.3017 241.436 -96.3013 36.936 GPRESSURE: 1917000 57.7114 -50.5567 170.614 -57.7818 7.21663 -52.0873 217.502 -92.1583 41.6077 PRESSAVG: 1917000 -15.9736 -46.6839 34.7416 -46.6839 -19.4676 -10.0059 34.7416 -10.0059 24.7909 GPRESSAVG: 1917000 -15.7018 -47.462 34.5646 -46.9392 -19.6391 -12.3887 34.4192 -8.23433 24.658 TIMING: 1917000 CPU: 6060.41, 0.00314321/step Wall: 6060.41, 0.00314321/step, 2.69181 hours remaining, 236.480469 MB of memory in use. ENERGY: 1917000 4019.0024 20480.6904 14520.6337 251.7745 -203039.0543 2721.3723 0.0000 0.0000 52333.8426 -108711.7385 300.7633 -161045.5811 -108337.7909 300.8481 7.4294 35.5119 763566.4085 -3.5501 -3.5610 PRESSURE: 1917200 -39.8715 87.5526 -40.2093 87.553 -84.2711 25.4282 -40.2088 25.4282 -189.467 GPRESSURE: 1917200 -9.98803 65.7304 -102.557 116.921 -102.653 20.4409 -125.411 -103.824 -114.916 PRESSAVG: 1917200 -16.0409 11.1496 10.3086 11.1496 42.9957 -11.0784 10.3086 -11.0783 20.9094 GPRESSAVG: 1917200 -16.0929 12.3737 10.7129 12.0748 42.6458 -8.82587 8.72086 -14.7021 21.2094 TIMING: 1917200 CPU: 6061.04, 0.0031449/step Wall: 6061.04, 0.0031449/step, 2.69308 hours remaining, 236.480469 MB of memory in use. ENERGY: 1917200 3925.5546 20291.3633 14556.2212 242.1993 -202914.1405 2518.3541 0.0000 0.0000 52497.5590 -108882.8890 301.7042 -161380.4480 -108523.6914 300.2464 -104.5365 -75.8524 761068.3649 15.9547 15.9207 PRESSURE: 1917400 0.182349 18.798 -66.5634 18.7985 33.9399 -209.432 -66.563 -209.431 -348.253 GPRESSURE: 1917400 35.6608 50.1074 -38.345 -17.8508 41.7826 -227.936 -144.419 -325.078 -321.953 PRESSAVG: 1917400 23.8717 7.97662 36.3841 7.97661 -1.91891 -26.1573 36.3841 -26.1572 4.01241 GPRESSAVG: 1917400 24.6443 7.52708 35.8956 8.01303 -0.99492 -28.6585 36.7065 -25.3721 2.19984 TIMING: 1917400 CPU: 6061.67, 0.00315353/step Wall: 6061.67, 0.00315353/step, 2.7003 hours remaining, 236.480469 MB of memory in use. ENERGY: 1917400 3908.3849 20495.5408 14521.3655 243.1733 -202674.1670 2464.2904 0.0000 0.0000 51929.5494 -109111.8628 298.4398 -161041.4122 -108749.3165 299.9457 -104.7104 -81.5033 762667.9440 8.6551 8.6164 PRESSURE: 1917600 34.8139 -61.0198 -141.968 -61.0195 -200.484 13.1876 -141.968 13.1877 -74.8718 GPRESSURE: 1917600 116.887 -143.778 -102.507 -105.384 -158.159 35.4091 -111.925 74.0197 -112.492 PRESSAVG: 1917600 -2.8209 81.5585 -0.546515 81.5585 17.9183 15.7344 -0.546408 15.7344 18.1495 GPRESSAVG: 1917600 -3.24208 80.8886 -2.2357 81.1603 16.6526 18.1425 1.69045 16.9451 19.3421 TIMING: 1917600 CPU: 6062.3, 0.00315536/step Wall: 6062.3, 0.00315536/step, 2.70169 hours remaining, 236.480469 MB of memory in use. ENERGY: 1917600 3995.4460 20684.3234 14569.0955 254.2190 -202933.5594 2406.8720 0.0000 0.0000 52223.6602 -108799.9432 300.1301 -161023.6034 -108435.7142 299.7380 -80.1806 -51.2547 762026.1773 11.0823 10.9176 PRESSURE: 1917800 -284.728 -66.289 20.1882 -66.2886 599.189 -104.937 20.1875 -104.938 269.507 GPRESSURE: 1917800 -223.455 -102.256 -1.01891 -3.16974 608.683 28.6421 47.6554 -155.289 300.784 PRESSAVG: 1917800 -15.2041 10.8481 -27.8885 10.8482 2.68886 -7.46157 -27.8885 -7.46159 4.89817 GPRESSAVG: 1917800 -14.881 12.449 -26.6536 8.66153 2.97366 -7.68003 -28.2814 -7.06421 4.43781 TIMING: 1917800 CPU: 6062.93, 0.00315955/step Wall: 6062.93, 0.00315955/step, 2.7051 hours remaining, 236.480469 MB of memory in use. ENERGY: 1917800 4020.3465 20740.9601 14528.2841 258.6001 -203034.0468 2653.4479 0.0000 0.0000 52100.0959 -108732.3120 299.4200 -160832.4080 -108381.3744 299.8292 194.6562 228.6705 762641.1611 -2.5390 -2.4898 PRESSURE: 1918000 366.198 -33.8109 60.0377 -33.8101 60.9786 -48.9172 60.0379 -48.9163 391.527 GPRESSURE: 1918000 378.298 -42.6464 -17.4122 1.26064 156.2 -54.9956 161.595 -109.704 369.92 PRESSAVG: 1918000 7.59747 -20.8305 -14.8833 -20.8304 -43.6735 -43.5361 -14.8834 -43.5361 -24.9434 GPRESSAVG: 1918000 7.66284 -22.7573 -14.2319 -17.367 -44.9269 -43.607 -16.0371 -44.2809 -24.1347 TIMING: 1918000 CPU: 6063.56, 0.00313783/step Wall: 6063.56, 0.00313783/step, 2.68633 hours remaining, 236.480469 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: 1918000 3994.0334 20497.8652 14524.4186 232.9610 -203175.0745 2722.0268 0.0000 0.0000 52349.6342 -108854.1354 300.8541 -161203.7696 -108495.1134 300.0773 272.9012 301.4728 761460.5728 -20.3398 -20.4663 PRESSURE: 1918200 91.5786 -41.1181 -152.598 -41.118 47.7398 143.542 -152.598 143.541 346.612 GPRESSURE: 1918200 122.67 -22.5121 -66.7452 -6.20071 79.5782 26.0783 -244.302 181.709 371.179 PRESSAVG: 1918200 5.56909 -43.9156 -18.2306 -43.9157 -13.2725 -27.5549 -18.2306 -27.5549 23.7817 GPRESSAVG: 1918200 5.3826 -42.5503 -18.1026 -44.0088 -11.577 -27.8762 -20.403 -28.5355 22.6465 TIMING: 1918200 CPU: 6064.19, 0.00315026/step Wall: 6064.19, 0.00315026/step, 2.6968 hours remaining, 236.480469 MB of memory in use. ENERGY: 1918200 4023.6481 20702.6679 14483.1221 243.8536 -203165.5653 2723.4479 0.0000 0.0000 52217.7831 -108771.0425 300.0963 -160988.8256 -108413.0849 300.1621 161.9766 191.1424 762068.1138 5.3594 5.4840 PRESSURE: 1918400 -78.0083 -7.97677 96.587 -7.97726 -44.6647 -182.308 96.5865 -182.308 -130 GPRESSURE: 1918400 -13.8426 85.4848 92.0719 -34.0202 -86.2019 -256.258 226.727 -87.8096 -81.0049 PRESSAVG: 1918400 -26.5414 9.45007 -24.8881 9.45004 40.9055 -33.9449 -24.888 -33.9449 -13.3194 GPRESSAVG: 1918400 -27.7996 10.0848 -25.973 10.3727 40.7239 -34.7514 -20.4742 -31.4243 -12.7157 TIMING: 1918400 CPU: 6064.82, 0.00314677/step Wall: 6064.82, 0.00314677/step, 2.69363 hours remaining, 236.480469 MB of memory in use. ENERGY: 1918400 3957.5458 20479.5359 14526.4585 235.7756 -203041.8322 2539.1074 0.0000 0.0000 52413.3765 -108890.0325 301.2204 -161303.4091 -108520.1652 299.9375 -84.2244 -60.3498 763097.7196 0.3482 0.0695 PRESSURE: 1918600 -294.296 227.533 -32.6348 227.533 105.211 216.191 -32.6342 216.19 -38.2612 GPRESSURE: 1918600 -183.609 199.045 18.4576 267.704 142.074 121.064 -100.24 180.432 -77.3397 PRESSAVG: 1918600 -67.5595 18.8714 -2.49363 18.8714 61.0453 -10.6744 -2.49358 -10.6745 -11.011 GPRESSAVG: 1918600 -67.4813 16.0382 -3.55174 18.5964 61.3531 -10.4237 -3.1775 -11.5302 -11.1842 TIMING: 1918600 CPU: 6065.45, 0.00314032/step Wall: 6065.45, 0.00314032/step, 2.68794 hours remaining, 236.480469 MB of memory in use. ENERGY: 1918600 4015.3474 20552.0814 14532.9532 249.3507 -203156.7549 2554.9831 0.0000 0.0000 52161.3400 -109090.6992 299.7719 -161252.0391 -108725.3758 300.0040 -75.7821 -39.6248 761572.3845 -5.8417 -5.7708 PRESSURE: 1918800 -0.223384 52.497 110.078 52.4971 -183.539 64.9143 110.078 64.9147 369.643 GPRESSURE: 1918800 19.2219 -0.635843 32.4524 -44.6707 -147.674 -20.1867 59.4013 85.8236 415.706 PRESSAVG: 1918800 -8.57354 -60.8201 -17.2746 -60.8201 -13.4624 -11.9606 -17.2746 -11.9606 11.8993 GPRESSAVG: 1918800 -7.93095 -58.9378 -15.9622 -60.9596 -14.3239 -12.7882 -19.3497 -12.5483 12.6874 TIMING: 1918800 CPU: 6066.08, 0.00316104/step Wall: 6066.08, 0.00316104/step, 2.7055 hours remaining, 236.480469 MB of memory in use. ENERGY: 1918800 4000.2648 20579.2389 14535.7133 229.5535 -203531.9389 2783.5510 0.0000 0.0000 52105.2970 -109298.3204 299.4499 -161403.6175 -108935.1419 300.0084 61.9604 95.7515 760361.9760 -3.3789 -3.1892 PRESSURE: 1919000 -110.268 106.732 -64.5696 106.732 271.056 -374.325 -64.5702 -374.323 -119.523 GPRESSURE: 1919000 3.28785 -100.771 -126.858 120.886 234.35 -467.493 211.775 -363.278 -89.5553 PRESSAVG: 1919000 27.7759 -45.1737 -32.4021 -45.1737 -36.0218 -51.7929 -32.4021 -51.7929 -7.83336 GPRESSAVG: 1919000 28.1195 -46.677 -31.4597 -47.456 -35.1444 -53.1527 -30.5542 -48.79 -8.76265 TIMING: 1919000 CPU: 6066.71, 0.0031437/step Wall: 6066.71, 0.0031437/step, 2.69048 hours remaining, 236.480469 MB of memory in use. ENERGY: 1919000 3991.3318 20643.1685 14454.5096 249.8282 -203527.4445 2641.7786 0.0000 0.0000 52085.3570 -109461.4706 299.3353 -161546.8277 -109097.6381 299.4642 13.7550 49.3609 760024.1912 -5.3598 -5.2625 PRESSURE: 1919200 -60.4898 58.3384 -144.835 58.3387 133.599 38.5136 -144.834 38.514 -140.349 GPRESSURE: 1919200 -7.39996 56.0859 -71.981 64.4768 209.446 149.136 -104.475 19.1376 -186.45 PRESSAVG: 1919200 -12.1816 -67.6186 -26.8565 -67.6186 -33.9171 10.8469 -26.8565 10.8469 -11.7926 GPRESSAVG: 1919200 -12.8052 -66.3055 -27.7913 -64.8861 -34.5987 11.0609 -26.1907 10.9759 -10.3471 TIMING: 1919200 CPU: 6067.34, 0.00314263/step Wall: 6067.34, 0.00314263/step, 2.68939 hours remaining, 236.480469 MB of memory in use. ENERGY: 1919200 3916.8494 20598.6231 14477.8269 254.1537 -203806.8793 2828.4274 0.0000 0.0000 52222.7269 -109508.2719 300.1247 -161730.9988 -109150.9641 299.5191 -22.4135 5.1986 759616.5289 -19.2971 -19.2503 PRESSURE: 1919400 119.876 61.8006 116.719 61.7996 116.353 53.1464 116.72 53.1472 -83.1233 GPRESSURE: 1919400 118.156 -1.81579 7.73293 119.701 150.626 8.17122 220.381 33.2053 -38.5968 PRESSAVG: 1919400 -21.0105 -47.6227 -48.2308 -47.6227 8.11634 10.1991 -48.2308 10.1992 6.96677 GPRESSAVG: 1919400 -21.4765 -48.7595 -47.7316 -48.4082 8.93054 11.1913 -53.116 7.05472 6.56914 TIMING: 1919400 CPU: 6067.97, 0.00316256/step Wall: 6067.97, 0.00316256/step, 2.70627 hours remaining, 236.480469 MB of memory in use. ENERGY: 1919400 4019.6179 20509.7815 14522.9472 249.9053 -203016.7485 2260.0819 0.0000 0.0000 51801.5098 -109652.9050 297.7040 -161454.4147 -109294.7614 298.4562 51.0353 76.7281 759617.9215 -1.9758 -1.9923 PRESSURE: 1919600 -67.2004 -392.823 93.8256 -392.823 -131.228 -65.6868 93.8253 -65.6871 -147.628 GPRESSURE: 1919600 -28.3417 -285.625 39.0763 -365.933 -109.257 -53.6539 127.809 49.3918 -133.967 PRESSAVG: 1919600 -9.39684 -13.711 -52.1371 -13.711 41.9905 -8.74437 -52.1371 -8.74442 9.40717 GPRESSAVG: 1919600 -8.30097 -11.7312 -52.8727 -14.4039 41.2926 -9.60442 -48.6549 -6.24808 8.81924 TIMING: 1919600 CPU: 6068.6, 0.00315384/step Wall: 6068.6, 0.00315384/step, 2.69863 hours remaining, 236.480469 MB of memory in use. ENERGY: 1919600 3942.4059 20453.4726 14472.8825 254.0774 -203323.2520 2570.3341 0.0000 0.0000 51830.1168 -109799.9626 297.8684 -161630.0794 -109435.0057 298.3725 -115.3524 -90.5217 760886.9295 14.0003 13.9369 PRESSURE: 1919800 -20.4134 -18.3873 -143.592 -18.3878 294.324 83.3026 -143.591 83.3017 121.068 GPRESSURE: 1919800 84.2497 -76.4886 -129.191 14.1423 263.443 129.309 -85.0229 29.833 124.724 PRESSAVG: 1919800 -40.0608 -37.5515 -18.3667 -37.5515 4.2697 17.1492 -18.3666 17.1492 10.3656 GPRESSAVG: 1919800 -40.9277 -37.7517 -18.353 -37.4686 4.52155 18.4572 -17.5947 15.3719 11.0196 TIMING: 1919800 CPU: 6069.23, 0.00313563/step Wall: 6069.23, 0.00313563/step, 2.68288 hours remaining, 236.480469 MB of memory in use. ENERGY: 1919800 3933.3462 20378.6895 14509.8836 250.0338 -203729.8215 2905.1997 0.0000 0.0000 52070.8718 -109681.7968 299.2520 -161752.6686 -109319.6496 298.1718 131.6597 157.4722 760905.6867 -8.4752 -8.4622 PRESSURE: 1920000 -49.8342 74.8354 25.1129 74.8358 348.523 154.447 25.1128 154.447 49.8391 GPRESSURE: 1920000 -45.088 104.605 -4.95718 -140.674 436.567 195.429 167.422 26.7282 32.4774 PRESSAVG: 1920000 -33.4886 -9.10556 -25.9612 -9.10561 30.2128 -2.1554 -25.9613 -2.15529 -7.12456 GPRESSAVG: 1920000 -32.4603 -10.2072 -24.4461 -9.91006 30.1742 -0.829511 -25.4685 -1.26239 -7.84642 TIMING: 1920000 CPU: 6069.86, 0.00314564/step Wall: 6069.86, 0.00314564/step, 2.69127 hours remaining, 236.480469 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: 1920000 4039.8701 20453.0520 14497.2899 265.3192 -203781.5886 2835.9232 0.0000 0.0000 52042.2825 -109647.8518 299.0877 -161690.1343 -109297.0235 299.0409 116.1760 141.3189 760754.1892 -3.4668 -3.3775 PRESSURE: 1920200 -36.9409 -13.9776 10.5492 -13.9769 -30.3614 -5.69711 10.5496 -5.69643 63.4016 GPRESSURE: 1920200 43.2062 3.83457 -54.4473 54.4506 -17.0242 -16.9712 -156.496 -39.0647 49.574 PRESSAVG: 1920200 -54.7585 -11.868 -47.025 -11.8681 78.864 -28.8158 -47.0251 -28.8159 -8.83931 GPRESSAVG: 1920200 -53.8803 -10.6726 -48.8008 -8.60726 78.8938 -31.1184 -48.2056 -28.7311 -8.58367 TIMING: 1920200 CPU: 6070.49, 0.00314698/step Wall: 6070.49, 0.00314697/step, 2.69224 hours remaining, 236.480469 MB of memory in use. ENERGY: 1920200 3944.9757 20479.8766 14521.0449 273.7060 -203657.2474 2668.1201 0.0000 0.0000 52223.4515 -109546.0726 300.1289 -161769.5241 -109183.9630 298.5925 -1.3003 25.2520 760329.1381 5.0887 5.4766 LDB: ============= START OF LOAD BALANCING ============== 6083.02 LDB: ============== END OF LOAD BALANCING =============== 6083.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6083.02 LDB: ============= START OF LOAD BALANCING ============== 6083.34 LDB: Largest compute 7049 load 0.031723 is 16.2% of average load 0.195463 LDB: Average compute 0.004416 is 2.3% of average load 0.195463 LDB: TIME 6083.34 LOAD: AVG 0.195463 MAX 0.217746 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.148 MB LDB: TIME 6083.34 LOAD: AVG 0.195463 MAX 0.217746 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.148 MB LDB: TIME 6083.34 LOAD: AVG 0.195463 MAX 0.217746 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.148 MB LDB: ============== END OF LOAD BALANCING =============== 6083.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6083.35 PRESSURE: 1920400 -64.3442 144.974 -26.1029 144.975 272.364 101.072 -26.1026 101.073 -51.8793 GPRESSURE: 1920400 37.4434 100.168 -11.0383 177.588 212.735 96.5506 -73.6337 66.6431 3.3851 PRESSAVG: 1920400 -39.2634 -53.2785 -15.8312 -53.2785 37.5242 12.2184 -15.8312 12.2184 -12.45 GPRESSAVG: 1920400 -40.1496 -53.5983 -14.1532 -54.4318 38.5917 12.7338 -17.5316 10.8082 -12.3824 TIMING: 1920400 CPU: 6071.13, 0.00322539/step Wall: 6071.13, 0.00322539/step, 2.75914 hours remaining, 234.488281 MB of memory in use. ENERGY: 1920400 3988.8940 20709.0176 14490.2526 255.1272 -203775.3340 2717.2224 0.0000 0.0000 52059.6257 -109555.1945 299.1874 -161614.8202 -109190.8439 299.2677 52.0470 84.5210 761072.1480 -4.7297 -4.6468 PRESSURE: 1920600 -481.672 -11.1752 204.26 -11.1749 -225.336 -175.4 204.26 -175.399 388.771 GPRESSURE: 1920600 -358.038 -81.5889 251.583 -34.0004 -185.612 -109.967 174.036 -221.464 298.145 PRESSAVG: 1920600 -133.304 -4.46818 -9.43063 -4.46814 45.7706 -12.6301 -9.43069 -12.6302 -6.69099 GPRESSAVG: 1920600 -133.841 -5.50594 -10.9489 -5.27698 45.8854 -12.167 -6.49648 -11.5351 -6.7774 TIMING: 1920600 CPU: 6071.77, 0.003172/step Wall: 6071.77, 0.003172/step, 2.71329 hours remaining, 234.488281 MB of memory in use. ENERGY: 1920600 4020.8860 20560.6879 14528.1062 250.9912 -203610.4151 2664.6328 0.0000 0.0000 51936.3991 -109648.7120 298.4792 -161585.1111 -109293.8448 298.9748 -106.0791 -81.8353 761253.4684 -31.4082 -31.5778 PRESSURE: 1920800 219.37 -63.2771 67.7542 -63.2782 96.5998 89.8048 67.7545 89.8038 125.019 GPRESSURE: 1920800 338.328 -137.528 42.5232 -11.4911 72.8428 86.7963 86.4558 39.5045 111.528 PRESSAVG: 1920800 -16.0322 -17.4158 -61.0601 -17.4159 53.5168 33.3039 -61.0601 33.3039 24.4422 GPRESSAVG: 1920800 -15.1424 -14.5657 -60.3255 -17.6707 52.3836 33.0295 -63.0117 34.7634 24.7989 TIMING: 1920800 CPU: 6072.4, 0.00316478/step Wall: 6072.4, 0.00316478/step, 2.70694 hours remaining, 234.488281 MB of memory in use. ENERGY: 1920800 3993.8325 20565.7367 14493.9144 249.7847 -203896.5499 2828.8502 0.0000 0.0000 52050.1662 -109714.2651 299.1330 -161764.4314 -109349.4390 299.2367 146.9964 174.2330 759725.6810 20.6423 20.6800 PRESSURE: 1921000 271.857 97.6467 101.882 97.6457 288.174 124.632 101.882 124.633 324.103 GPRESSURE: 1921000 225.523 104.493 112.754 119.343 336.58 32.7598 236.593 80.2373 388.925 PRESSAVG: 1921000 -48.7643 29.5601 1.35145 29.5601 28.6926 -4.58522 1.35145 -4.58522 -23.9018 GPRESSAVG: 1921000 -48.9235 27.7033 1.94259 30.0206 29.4381 -4.64686 -1.57986 -5.57351 -24.2437 TIMING: 1921000 CPU: 6073.03, 0.00315896/step Wall: 6073.03, 0.00315896/step, 2.70178 hours remaining, 234.488281 MB of memory in use. ENERGY: 1921000 3874.7541 20668.8966 14475.1031 243.9710 -203893.1067 2890.4766 0.0000 0.0000 52116.9291 -109622.9763 299.5167 -161739.9054 -109262.5490 299.1699 294.7113 317.0093 760629.7693 -14.6578 -14.5764 PRESSURE: 1921200 190.721 11.1739 -23.2313 11.1741 205.132 138.028 -23.2312 138.027 -137.402 GPRESSURE: 1921200 194.371 -53.7909 10.2388 96.4542 236.279 99.4135 -171.272 153.224 -107.12 PRESSAVG: 1921200 -44.1757 37.5672 -53.0208 37.5672 27.5111 -4.26401 -53.0208 -4.26403 11.2863 GPRESSAVG: 1921200 -43.6528 36.6508 -53.4077 36.6925 26.9244 -5.45166 -49.8421 -3.21673 10.8261 TIMING: 1921200 CPU: 6073.66, 0.00316093/step Wall: 6073.66, 0.00316093/step, 2.7033 hours remaining, 234.488281 MB of memory in use. ENERGY: 1921200 3985.1582 20613.1729 14528.1734 251.1569 -203725.9986 2794.5187 0.0000 0.0000 51937.0891 -109616.7293 298.4832 -161553.8184 -109251.5709 299.0361 86.1502 107.8437 761021.9946 -1.7928 -1.9675 PRESSURE: 1921400 -535.142 8.63239 65.3159 8.63259 -113.842 -200.223 65.3158 -200.222 -48.9766 GPRESSURE: 1921400 -397.343 -10.8319 87.7768 63.4047 -157.743 -83.1175 116.514 -240.961 -72.9355 PRESSAVG: 1921400 -19.5715 18.046 -16.8832 18.046 56.1086 -47.9255 -16.8832 -47.9255 7.68299 GPRESSAVG: 1921400 -20.4741 18.5163 -17.0988 18.7949 55.8665 -46.6699 -18.133 -47.3296 8.57454 TIMING: 1921400 CPU: 6074.29, 0.00314845/step Wall: 6074.29, 0.00314845/step, 2.69245 hours remaining, 234.488281 MB of memory in use. ENERGY: 1921400 4034.5474 20558.1884 14467.4623 248.4380 -203333.9020 2437.9413 0.0000 0.0000 51928.6423 -109658.6822 298.4346 -161587.3245 -109304.4662 298.9181 -232.6536 -209.3403 762023.1366 14.7400 14.6557 PRESSURE: 1921600 154.685 -13.2432 -47.8358 -13.243 -58.6899 51.8829 -47.8367 51.8821 -63.2358 GPRESSURE: 1921600 205.149 -42.2962 -71.4925 62.2115 -75.2551 -23.8289 114.731 11.8666 -23.8526 PRESSAVG: 1921600 15.5539 30.3664 -19.7963 30.3664 -13.7244 -16.2285 -19.7964 -16.2285 -1.13278 GPRESSAVG: 1921600 15.5579 30.1855 -21.3651 30.5859 -12.6781 -17.3531 -17.4685 -19.649 -1.8125 TIMING: 1921600 CPU: 6074.93, 0.00316481/step Wall: 6074.93, 0.00316481/step, 2.70626 hours remaining, 234.476562 MB of memory in use. ENERGY: 1921600 3988.8340 20322.2832 14492.3007 246.9857 -204032.0182 2998.9920 0.0000 0.0000 52113.1564 -109869.4662 299.4950 -161982.6226 -109499.6210 298.4655 10.9199 35.3470 761455.7587 0.2323 0.3558 PRESSURE: 1921800 -231.138 6.99327 105.814 6.99252 107.713 -203.491 105.815 -203.491 113.99 GPRESSURE: 1921800 -173.4 -36.876 119.219 -6.43164 48.648 -170.82 -100.632 -145.393 198.307 PRESSAVG: 1921800 -60.6369 23.1641 16.0455 23.1641 42.5862 -35.5959 16.0455 -35.5958 4.28345 GPRESSAVG: 1921800 -61.6221 24.9191 17.3673 20.0626 43.8034 -35.3753 14.028 -32.6573 4.04451 TIMING: 1921800 CPU: 6075.56, 0.00316076/step Wall: 6075.56, 0.00316076/step, 2.70262 hours remaining, 234.476562 MB of memory in use. ENERGY: 1921800 3956.3937 20605.2808 14470.6081 255.2194 -203884.8279 3021.9094 0.0000 0.0000 51842.1687 -109733.2478 297.9377 -161575.4166 -109375.5806 298.2173 -3.1450 24.5185 759899.3310 -4.5891 -4.5914 PRESSURE: 1922000 -348.349 21.098 55.0661 21.0982 -145.501 -130.22 55.0668 -130.221 -237.622 GPRESSURE: 1922000 -300.562 22.2901 17.759 -44.7262 -157.412 -132.752 -22.3194 -228.156 -188.597 PRESSAVG: 1922000 -21.7401 -13.0302 -11.0222 -13.0302 61.0022 38.6394 -11.0222 38.6395 -24.1421 GPRESSAVG: 1922000 -21.1303 -13.4287 -9.61785 -10.6876 60.2253 38.3499 -12.3773 38.9373 -24.1228 TIMING: 1922000 CPU: 6076.19, 0.00316847/step Wall: 6076.19, 0.00316847/step, 2.70904 hours remaining, 234.488281 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: 1922000 3984.0539 20513.0933 14431.2469 246.2014 -203347.8281 2443.3885 0.0000 0.0000 51722.0307 -110007.8135 297.2472 -161729.8442 -109631.3015 298.2185 -243.8240 -215.5239 760810.8496 5.0400 4.9907 PRESSURE: 1922200 125.089 -17.8531 62.2338 -17.8529 65.7497 -54.3147 62.2339 -54.3144 330.237 GPRESSURE: 1922200 85.0494 32.9489 129.072 66.6748 193.55 -37.481 70.3135 -129.65 328.418 PRESSAVG: 1922200 -7.00528 -28.5657 -7.44843 -28.5657 11.2254 -52.5339 -7.44837 -52.5339 -20.9582 GPRESSAVG: 1922200 -6.72721 -28.9518 -8.17529 -28.3211 9.71728 -51.579 -5.32553 -53.4961 -19.8357 TIMING: 1922200 CPU: 6076.82, 0.00313999/step Wall: 6076.82, 0.00313999/step, 2.68452 hours remaining, 234.488281 MB of memory in use. ENERGY: 1922200 4039.5715 20519.4763 14480.1738 268.0436 -203654.8284 2696.7040 0.0000 0.0000 51657.4438 -109993.4155 296.8760 -161650.8593 -109636.4534 297.8459 173.6917 202.3393 761481.8027 -5.5793 -5.6152 PRESSURE: 1922400 144.07 -149.885 -437.032 -149.884 -110.237 -24.8597 -437.032 -24.8602 -49.6455 GPRESSURE: 1922400 205.161 -156.751 -462.617 -29.0045 -123.43 -4.17399 -405.072 -1.59931 -14.6877 PRESSAVG: 1922400 31.0833 -17.1098 -30.1328 -17.1098 25.5252 2.49933 -30.1328 2.49927 23.4651 GPRESSAVG: 1922400 30.3856 -17.1596 -31.427 -16.4913 26.3824 4.38803 -30.0848 2.05366 23.2148 TIMING: 1922400 CPU: 6077.45, 0.00313179/step Wall: 6077.45, 0.00313179/step, 2.67733 hours remaining, 234.488281 MB of memory in use. ENERGY: 1922400 3963.9430 20517.5354 14459.5388 279.7296 -204126.0056 2754.9083 0.0000 0.0000 52355.4794 -109794.8712 300.8877 -162150.3506 -109423.7896 299.0725 -5.2709 22.3480 760052.6650 26.6912 26.6609 PRESSURE: 1922600 -57.8554 28.4724 59.7634 28.4717 -437.206 -41.2466 59.7642 -41.2463 140.924 GPRESSURE: 1922600 -41.1107 -113.489 69.7495 -6.42312 -311.452 -77.0128 36.8412 0.226288 55.208 PRESSAVG: 1922600 -19.1656 -80.4525 -18.0806 -80.4525 30.5521 25.0786 -18.0805 25.0786 -3.62678 GPRESSAVG: 1922600 -19.8032 -79.4479 -17.7337 -80.3483 31.2906 24.6749 -17.7263 25.788 -3.78287 TIMING: 1922600 CPU: 6078.08, 0.0031474/step Wall: 6078.08, 0.0031474/step, 2.6905 hours remaining, 234.488281 MB of memory in use. ENERGY: 1922600 4037.0581 20436.0748 14503.5998 256.9898 -203755.0783 2661.1587 0.0000 0.0000 51825.8326 -110034.3645 297.8438 -161860.1971 -109678.0010 298.4645 -118.0457 -99.1181 760681.5192 2.5866 2.5682 PRESSURE: 1922800 -165.755 166.574 9.79935 166.574 209.654 -154.695 9.79996 -154.695 158.402 GPRESSURE: 1922800 -157.109 108.178 67.424 223.434 250.909 -214.819 28.0765 -102.405 175.258 PRESSAVG: 1922800 6.63478 -23.7163 -6.30462 -23.7163 -24.4596 7.31321 -6.30456 7.31326 9.60199 GPRESSAVG: 1922800 6.13266 -24.9422 -6.68242 -24.9141 -24.7061 7.30758 -5.33995 7.43118 10.4782 TIMING: 1922800 CPU: 6078.7, 0.00313462/step Wall: 6078.7, 0.00313462/step, 2.67941 hours remaining, 234.488281 MB of memory in use. ENERGY: 1922800 3937.0268 20538.4863 14532.3823 247.5925 -204051.6379 2907.7786 0.0000 0.0000 51821.6231 -110066.7484 297.8196 -161888.3715 -109705.2880 298.0350 67.4336 89.6862 761025.7115 -2.7409 -2.6984 PRESSURE: 1923000 429.506 -159.602 73.0215 -159.602 57.513 -8.12103 73.0209 -8.12049 -88.9093 GPRESSURE: 1923000 400.208 -130.015 -23.2249 -193.948 209.467 -88.5259 99.0267 -52.1125 -115.754 PRESSAVG: 1923000 -17.5625 -63.7982 29.7287 -63.7981 -12.2301 0.731657 29.7287 0.731661 -4.64307 GPRESSAVG: 1923000 -16.1905 -63.1739 29.8423 -62.1938 -12.6108 0.134443 29.2297 0.426542 -5.52141 TIMING: 1923000 CPU: 6079.33, 0.00314001/step Wall: 6079.33, 0.00314001/step, 2.68384 hours remaining, 234.488281 MB of memory in use. ENERGY: 1923000 4003.0150 20417.6851 14521.3155 239.3733 -203764.9499 2811.2688 0.0000 0.0000 51856.4742 -109915.8179 298.0199 -161772.2922 -109557.0087 297.9053 132.7033 164.6403 760018.1550 -11.4786 -11.4409 PRESSURE: 1923200 212.833 -183.577 243.203 -183.577 86.33 110.785 243.202 110.785 75.2982 GPRESSURE: 1923200 140.72 -116.276 166.719 -89.4026 175.588 188.688 282.748 164.657 134.606 PRESSAVG: 1923200 50.7855 -14.6795 -5.70112 -14.6794 -34.621 18.822 -5.70111 18.822 28.758 GPRESSAVG: 1923200 49.6439 -14.1628 -5.83098 -15.1889 -34.2846 18.6369 -7.97432 20.2698 29.5138 TIMING: 1923200 CPU: 6079.96, 0.00315025/step Wall: 6079.96, 0.00315025/step, 2.69242 hours remaining, 234.488281 MB of memory in use. ENERGY: 1923200 3960.9775 20587.1474 14387.8450 242.3565 -204122.6298 2910.9411 0.0000 0.0000 52082.9874 -109950.3749 299.3216 -162033.3623 -109589.2969 298.4442 124.8203 150.3045 760374.9852 14.9742 14.9577 PRESSURE: 1923400 187.148 -124.66 -108.859 -124.66 50.7586 187.269 -108.859 187.269 69.0067 GPRESSURE: 1923400 172.105 -202.957 26.9159 10.2259 191.845 205.922 -191.47 77.4159 23.3799 PRESSAVG: 1923400 9.17902 6.1118 24.8548 6.1118 15.1191 18.8692 24.8548 18.8692 5.16806 GPRESSAVG: 1923400 8.61134 6.17201 26.1511 8.01039 15.8184 18.6032 24.9742 17.5508 4.57197 TIMING: 1923400 CPU: 6080.59, 0.00314407/step Wall: 6080.59, 0.00314407/step, 2.68696 hours remaining, 234.488281 MB of memory in use. ENERGY: 1923400 4087.4131 20462.9720 14399.8709 252.9207 -203405.3880 2544.8949 0.0000 0.0000 51870.2495 -109787.0669 298.0990 -161657.3164 -109429.5784 298.0766 102.3045 129.1097 760009.3286 9.8221 9.6672 PRESSURE: 1923600 -378.602 -105.179 112.246 -105.179 -226.691 116.482 112.245 116.482 13.8982 GPRESSURE: 1923600 -432.184 -204.15 145.755 23.9532 -62.1862 205.526 163.062 50.0816 -22.7591 PRESSAVG: 1923600 -49.2229 39.6975 26.5461 39.6975 44.605 7.77316 26.546 7.77319 -6.82449 GPRESSAVG: 1923600 -50.3098 41.137 26.4864 38.2483 45.061 9.20835 27.0181 8.76539 -6.18337 TIMING: 1923600 CPU: 6081.22, 0.003135/step Wall: 6081.22, 0.003135/step, 2.67903 hours remaining, 234.488281 MB of memory in use. ENERGY: 1923600 4072.3161 20467.2118 14430.1731 237.8477 -203783.9919 2707.2339 0.0000 0.0000 51943.8729 -109925.3364 298.5222 -161869.2093 -109562.1004 298.4168 -197.1316 -172.3764 761991.0034 -3.8142 -3.8107 PRESSURE: 1923800 75.204 62.0775 62.9082 62.0777 -70.3973 -52.6801 62.9092 -52.681 -131.087 GPRESSURE: 1923800 69.7162 77.2574 67.0019 192.277 -64.5217 21.0628 89.3734 -16.1814 -58.8193 PRESSAVG: 1923800 -3.02814 20.0348 12.205 20.0348 -30.2499 27.677 12.205 27.677 7.64449 GPRESSAVG: 1923800 -1.27393 18.6847 11.5681 20.3492 -31.0918 27.2193 13 26.6272 6.99938 TIMING: 1923800 CPU: 6081.85, 0.00315218/step Wall: 6081.85, 0.00315217/step, 2.69353 hours remaining, 234.488281 MB of memory in use. ENERGY: 1923800 3981.6524 20554.9400 14396.4312 245.0538 -203387.6162 2513.3100 0.0000 0.0000 51863.3741 -109832.8547 298.0595 -161696.2288 -109461.4167 297.7702 -42.0934 -17.8749 761372.1070 -8.5445 -8.4555 PRESSURE: 1924000 -241.986 66.2625 203.942 66.2629 496.217 108.102 203.942 108.103 20.4861 GPRESSURE: 1924000 -232.637 108.058 160.935 2.95905 477.373 56.0976 38.9977 127.711 110.318 PRESSAVG: 1924000 -14.9013 1.53119 43.5718 1.53121 31.8361 -10.6013 43.5718 -10.6013 22.3624 GPRESSAVG: 1924000 -15.264 2.17507 43.2098 2.56772 32.0769 -11.3573 43.142 -11.663 22.8168 TIMING: 1924000 CPU: 6082.48, 0.0031519/step Wall: 6082.48, 0.0031519/step, 2.69312 hours remaining, 234.488281 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: 1924000 4030.5021 20318.0580 14370.2857 242.7225 -203336.7475 2630.1154 0.0000 0.0000 51837.5583 -109907.5055 297.9112 -161745.0638 -109530.2287 297.8530 91.5726 118.3510 760048.7780 13.0991 13.2099 PRESSURE: 1924200 -136.169 13.1815 16.249 13.1815 -216.731 148.263 16.2499 148.264 -201.722 GPRESSURE: 1924200 -133.54 25.8323 60.5623 -35.6957 -171.753 178.898 27.2294 154.293 -147.784 PRESSAVG: 1924200 -34.4711 -2.97348 10.5047 -2.97354 2.26655 -16.6777 10.5047 -16.6777 -8.86437 GPRESSAVG: 1924200 -33.0521 -3.22489 11.6522 -3.7364 1.08275 -16.0922 8.79004 -16.4507 -8.80192 TIMING: 1924200 CPU: 6083.11, 0.00314545/step Wall: 6083.11, 0.00314545/step, 2.68744 hours remaining, 234.488281 MB of memory in use. ENERGY: 1924200 3972.1702 20436.5679 14438.6508 232.2233 -202973.2725 2332.1925 0.0000 0.0000 51752.3352 -109809.1327 297.4214 -161561.4679 -109456.1401 297.8503 -184.8740 -151.0255 761477.9315 -13.6897 -13.5904 LDB: ============= START OF LOAD BALANCING ============== 6095.64 LDB: ============== END OF LOAD BALANCING =============== 6095.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6095.64 LDB: ============= START OF LOAD BALANCING ============== 6095.96 LDB: Largest compute 7049 load 0.031796 is 16.3% of average load 0.195498 LDB: Average compute 0.004408 is 2.3% of average load 0.195498 LDB: TIME 6095.96 LOAD: AVG 0.195498 MAX 0.215531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 6095.96 LOAD: AVG 0.195498 MAX 0.215531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 6095.96 LOAD: AVG 0.195498 MAX 0.215531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 6095.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6095.97 PRESSURE: 1924400 142.043 225.897 -175.332 225.898 -175.581 89.6303 -175.332 89.6302 219.139 GPRESSURE: 1924400 136.815 258.421 -147.596 176.236 -70.2035 77.1371 -110.288 100.433 223.159 PRESSAVG: 1924400 -68.3376 -16.554 5.84144 -16.554 23.7556 28.2756 5.84148 28.2756 15.7693 GPRESSAVG: 1924400 -68.4063 -18.7284 5.85656 -14.6238 25.0595 27.1993 6.67584 29.0358 14.9364 TIMING: 1924400 CPU: 6083.75, 0.0032248/step Wall: 6083.75, 0.0032248/step, 2.75505 hours remaining, 236.609375 MB of memory in use. ENERGY: 1924400 4015.3188 20435.8970 14522.7679 268.3974 -203831.3995 2840.8138 0.0000 0.0000 51737.3557 -110010.8488 297.3353 -161748.2045 -109646.4491 298.0929 61.8673 96.5900 760458.3856 -9.6042 -9.4701 PRESSURE: 1924600 -158.401 117.244 -190.565 117.244 230.642 -70.5341 -190.564 -70.5337 66.9117 GPRESSURE: 1924600 -37.4513 109.864 -215.905 111.241 218.54 -78.2744 -334.09 9.90386 70.1219 PRESSAVG: 1924600 7.29668 -6.28839 7.38859 -6.28836 -0.942321 -9.66309 7.38857 -9.66306 7.36528 GPRESSAVG: 1924600 7.84022 -4.83919 5.55798 -8.3285 -2.11482 -8.76219 9.23339 -9.23101 8.61517 TIMING: 1924600 CPU: 6084.38, 0.0031438/step Wall: 6084.38, 0.0031438/step, 2.68568 hours remaining, 236.609375 MB of memory in use. ENERGY: 1924600 3977.9496 20463.5490 14471.1536 241.5169 -203675.3287 2865.7851 0.0000 0.0000 51807.8863 -109847.4882 297.7406 -161655.3746 -109491.4379 297.7950 46.3843 83.7370 760330.6189 4.5732 4.7802 PRESSURE: 1924800 -176.709 299.629 37.4765 299.628 -81.2423 -24.4764 37.4771 -24.4769 -268.924 GPRESSURE: 1924800 -139.285 307.908 71.8401 265.33 -118.887 -28.6744 97.3983 -11.2417 -187.432 PRESSAVG: 1924800 7.04935 20.0675 -36.9192 20.0674 -15.5755 8.20955 -36.9193 8.2096 26.3611 GPRESSAVG: 1924800 6.86491 20.0612 -35.7939 21.6313 -15.5685 6.37301 -38.1661 8.83278 26.0543 TIMING: 1924800 CPU: 6085.01, 0.00315186/step Wall: 6085.01, 0.00315186/step, 2.69239 hours remaining, 236.609375 MB of memory in use. ENERGY: 1924800 3973.4756 20697.5888 14452.0550 253.5550 -203663.4776 2676.5961 0.0000 0.0000 51860.5208 -109749.6863 298.0431 -161610.2071 -109390.7636 298.5618 -175.6252 -148.5349 762058.7726 5.9450 5.7836 PRESSURE: 1925000 -55.8152 -222.393 -55.6137 -222.393 204.782 -160.909 -55.6131 -160.909 402.726 GPRESSURE: 1925000 11.2899 -239.189 -14.3033 -197.307 190.308 -132.949 -118.319 -38.3744 431.32 PRESSAVG: 1925000 -31.7598 0.524239 -4.12061 0.524226 13.9845 35.2352 -4.12067 35.2352 -11.7398 GPRESSAVG: 1925000 -30.6265 2.07577 -4.94582 0.899933 14.4178 36.2796 -4.2211 34.9499 -13.1618 TIMING: 1925000 CPU: 6085.64, 0.00313735/step Wall: 6085.64, 0.00313735/step, 2.67982 hours remaining, 236.609375 MB of memory in use. ENERGY: 1925000 3950.3510 20635.4092 14364.6587 240.3297 -203583.0497 2618.9326 0.0000 0.0000 51774.7561 -109998.6125 297.5502 -161773.3687 -109643.4028 298.3765 183.8978 210.9726 760580.5947 -9.8384 -9.7902 PRESSURE: 1925200 43.1114 45.471 -236.083 45.4716 66.7743 208.003 -236.084 208.003 315.01 GPRESSURE: 1925200 89.7024 152.461 -157.058 109.133 59.0439 123.982 -300.327 164.731 339.231 PRESSAVG: 1925200 -9.61877 23.6018 -18.2674 23.6018 41.402 12.2669 -18.2675 12.2669 12.8815 GPRESSAVG: 1925200 -11.2635 23.3315 -17.6429 24.0882 41.4705 11.3148 -17.3839 12.8618 14.2161 TIMING: 1925200 CPU: 6086.27, 0.00314162/step Wall: 6086.27, 0.00314162/step, 2.68329 hours remaining, 236.609375 MB of memory in use. ENERGY: 1925200 3938.0493 20552.6382 14453.2697 239.9770 -203963.6173 2643.4613 0.0000 0.0000 51767.1016 -110369.1203 297.5062 -162136.2219 -110013.6584 297.5867 141.6320 162.6590 758752.6017 14.8882 14.8077 PRESSURE: 1925400 67.6142 -15.8565 -127.942 -15.8565 -260.522 -46.3972 -127.941 -46.3966 310.495 GPRESSURE: 1925400 112.448 -18.3933 -93.1899 4.21386 -173.045 -82.3061 -328.108 -148.574 253.906 PRESSAVG: 1925400 -61.9554 10.9627 -24.2804 10.9626 9.83316 -13.9646 -24.2805 -13.9645 9.78477 GPRESSAVG: 1925400 -61.3783 9.69613 -24.6851 9.24622 9.14073 -13.4535 -25.8936 -16.3551 10.1239 TIMING: 1925400 CPU: 6086.89, 0.00313241/step Wall: 6086.89, 0.00313241/step, 2.67525 hours remaining, 236.609375 MB of memory in use. ENERGY: 1925400 3973.1777 20306.4833 14452.9642 247.8028 -203698.4878 2553.5577 0.0000 0.0000 52071.7752 -110092.7269 299.2572 -162164.5021 -109725.8755 297.2012 39.1960 64.4364 759913.7567 -14.1125 -14.0379 PRESSURE: 1925600 -332.371 105.831 18.2251 105.831 129.2 -128.184 18.225 -128.184 -375.585 GPRESSURE: 1925600 -215.058 82.1676 -132.441 42.6088 54.6538 -61.3804 108.669 -89.8035 -317.943 PRESSAVG: 1925600 -33.0119 17.6447 -15.6613 17.6447 -15.47 -38.3913 -15.6612 -38.3912 5.79174 GPRESSAVG: 1925600 -31.6024 17.9609 -17.1144 17.5705 -15.3352 -37.1702 -14.5573 -35.0445 4.44525 TIMING: 1925600 CPU: 6087.52, 0.00314033/step Wall: 6087.52, 0.00314033/step, 2.68184 hours remaining, 236.609375 MB of memory in use. ENERGY: 1925600 4013.7953 20436.9158 14477.4210 251.3249 -203216.2533 2369.2084 0.0000 0.0000 51719.0275 -109948.5605 297.2300 -161667.5880 -109588.2983 298.3863 -192.9186 -159.4491 759857.6693 -14.2301 -14.1641 PRESSURE: 1925800 -156.593 148.461 -90.0961 148.461 -46.4255 21.702 -90.0961 21.7013 203.699 GPRESSURE: 1925800 -86.8627 121.887 -89.535 231.098 -39.7108 42.6956 103.169 -142.207 219.899 PRESSAVG: 1925800 29.6373 -21.0797 -12.3669 -21.0796 -10.7723 5.05423 -12.3668 5.05426 7.76918 GPRESSAVG: 1925800 28.5759 -21.1164 -9.12224 -19.78 -10.6669 4.3207 -13.0894 4.43303 8.60164 TIMING: 1925800 CPU: 6088.15, 0.00316769/step Wall: 6088.15, 0.0031677/step, 2.70504 hours remaining, 236.609375 MB of memory in use. ENERGY: 1925800 4030.2606 20613.6252 14507.0543 245.0575 -203843.4339 2794.6116 0.0000 0.0000 51735.7196 -109917.1051 297.3259 -161652.8247 -109564.0295 298.5296 0.2266 31.1084 761004.9877 8.8780 8.8369 PRESSURE: 1926000 -11.1516 -340.291 106 -340.291 279.208 -149.478 106 -149.477 -26.5968 GPRESSURE: 1926000 82.2241 -262.983 185.383 -165.114 343.789 -86.5668 -78.6554 -213.417 -94.352 PRESSAVG: 1926000 76.7768 -21.266 -44.6471 -21.266 -55.2768 -25.6948 -44.6471 -25.6948 13.0294 GPRESSAVG: 1926000 77.1383 -19.3841 -45.1401 -20.7601 -55.1339 -25.2529 -43.3784 -27.5023 12.8828 TIMING: 1926000 CPU: 6088.79, 0.00317001/step Wall: 6088.79, 0.00317001/step, 2.70684 hours remaining, 236.609375 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: 1926000 4000.9057 20306.5806 14474.4374 230.2484 -203703.0745 2809.4882 0.0000 0.0000 51925.7268 -109955.6873 298.4179 -161881.4141 -109589.6611 297.9472 80.4866 110.5537 759994.1050 11.5098 11.6291 PRESSURE: 1926200 -140.914 -207.314 16.3366 -207.313 -22.1207 316.47 16.3373 316.471 -0.82035 GPRESSURE: 1926200 -112.438 -222.914 32.9161 -261.437 21.977 291.095 -67.1604 196.51 4.07101 PRESSAVG: 1926200 -16.1837 22.3645 48.6264 22.3646 -14.3119 -5.2433 48.6265 -5.24331 4.95349 GPRESSAVG: 1926200 -18.3929 19.9621 48.2502 21.2976 -12.7131 -4.03322 47.1 -4.51706 5.39047 TIMING: 1926200 CPU: 6089.42, 0.00316154/step Wall: 6089.42, 0.00316155/step, 2.69943 hours remaining, 236.609375 MB of memory in use. ENERGY: 1926200 3975.7123 20461.4338 14431.9685 234.4323 -203387.6496 2718.7692 0.0000 0.0000 51812.1182 -109753.2154 297.7650 -161565.3335 -109387.6099 298.0308 -54.6182 -28.7967 762390.3395 -8.5140 -8.5718 PRESSURE: 1926400 110.54 -24.2905 -329.33 -24.2905 -131.27 -78.8108 -329.33 -78.8098 -268.168 GPRESSURE: 1926400 116.719 -33.6568 -365.267 -10.1539 -22.8409 -70.1017 -411.732 -96.5073 -291.76 PRESSAVG: 1926400 -53.1446 -2.17294 -17.917 -2.17294 87.1244 -14.2348 -17.917 -14.2348 11.9016 GPRESSAVG: 1926400 -50.9025 -1.01974 -18.2368 -1.57742 85.7293 -16.5484 -18.3802 -14.3221 11.4268 TIMING: 1926400 CPU: 6090.05, 0.0031637/step Wall: 6090.05, 0.00316369/step, 2.70109 hours remaining, 236.609375 MB of memory in use. ENERGY: 1926400 3958.7846 20591.0932 14469.4920 233.2911 -203557.3993 2622.3506 0.0000 0.0000 51756.3962 -109925.9917 297.4447 -161682.3879 -109564.7645 298.6427 -96.2994 -65.9609 761692.3669 15.2938 15.4179 PRESSURE: 1926600 -437.45 -58.5593 -72.8277 -58.5592 -222.454 -37.5342 -72.8274 -37.5347 70.3251 GPRESSURE: 1926600 -374.274 29.9346 -69.3424 31.361 -105.764 -86.4366 -156.988 -84.8787 -15.1021 PRESSAVG: 1926600 -34.1473 -29.6543 -75.2574 -29.6542 38.0618 -2.52735 -75.2575 -2.52734 -19.9115 GPRESSAVG: 1926600 -33.6117 -28.8491 -75.2245 -30.1623 38.6565 -0.929298 -74.3527 -1.227 -21.0485 TIMING: 1926600 CPU: 6090.68, 0.00314788/step Wall: 6090.68, 0.00314788/step, 2.68742 hours remaining, 236.609375 MB of memory in use. ENERGY: 1926600 3940.6829 20539.1541 14445.7058 240.4435 -203557.8868 2566.5659 0.0000 0.0000 52027.9411 -109797.3934 299.0053 -161825.3345 -109438.8836 297.9256 -196.5261 -165.0468 763017.8531 -5.3323 -5.3345 PRESSURE: 1926800 -232.559 207.61 -61.9026 207.61 -187.535 -56.067 -61.9022 -56.0681 73.5304 GPRESSURE: 1926800 -92.4459 139.362 -17.79 121.578 -201.744 -82.404 24.1906 65.169 21.5839 PRESSAVG: 1926800 -24.1901 31.0643 -1.25832 31.0643 74.8106 -10.831 -1.25833 -10.831 13.302 GPRESSAVG: 1926800 -24.5405 29.6615 -0.774556 31.6675 73.3974 -9.40844 -1.20124 -13.8523 14.9193 TIMING: 1926800 CPU: 6091.32, 0.00316724/step Wall: 6091.32, 0.00316724/step, 2.70377 hours remaining, 236.609375 MB of memory in use. ENERGY: 1926800 3981.3207 20459.2613 14449.4382 239.4641 -203584.5233 2534.1766 0.0000 0.0000 52079.4658 -109841.3966 299.3014 -161920.8624 -109479.7848 298.5684 -115.5211 -90.8687 761303.6944 21.3075 21.2587 PRESSURE: 1927000 -51.4901 -269.448 -344.773 -269.448 67.8499 -181.893 -344.773 -181.893 315.333 GPRESSURE: 1927000 -13.6515 -323.256 -314.906 -204.713 105.675 -230.616 -342.991 -128.692 329.391 PRESSAVG: 1927000 -18.3949 -5.57006 -73.6743 -5.57015 12.3146 17.639 -73.6743 17.6389 -17.1031 GPRESSAVG: 1927000 -17.5291 -6.4496 -74.3392 -4.67016 13.586 15.5544 -71.8171 20.0867 -19.2925 TIMING: 1927000 CPU: 6091.95, 0.0031572/step Wall: 6091.95, 0.0031572/step, 2.69502 hours remaining, 236.609375 MB of memory in use. ENERGY: 1927000 3908.9527 20516.7970 14477.0941 259.3605 -203731.3886 2696.2890 0.0000 0.0000 51851.7726 -110021.1226 297.9928 -161872.8952 -109652.4972 298.0156 110.5644 140.4716 760720.0745 -7.7278 -7.7452 PRESSURE: 1927200 -272.636 93.7088 9.14375 93.7091 172.319 -208.322 9.144 -208.322 -82.4814 GPRESSURE: 1927200 -190.359 116.976 -55.8196 109.135 50.4757 -153.227 -147.768 -132.093 46.9344 PRESSAVG: 1927200 -13.2293 -53.9542 1.66834 -53.9543 -11.0154 -39.8661 1.66838 -39.8661 9.42351 GPRESSAVG: 1927200 -13.3369 -52.9488 0.573505 -54.6055 -12.837 -39.7366 0.696889 -38.1508 11.466 TIMING: 1927200 CPU: 6092.58, 0.00316491/step Wall: 6092.58, 0.00316491/step, 2.70143 hours remaining, 236.609375 MB of memory in use. ENERGY: 1927200 4011.0189 20724.4562 14416.4831 221.3213 -203300.1413 2619.8636 0.0000 0.0000 51654.3620 -109652.6361 296.8583 -161306.9981 -109297.5134 298.5534 -60.9329 -30.9830 761681.6250 -4.9404 -4.9026 PRESSURE: 1927400 180.779 115.609 107.655 115.61 -13.2993 258.794 107.656 258.794 220.124 GPRESSURE: 1927400 222.902 96.026 64.9136 170.177 37.6603 238.294 59.8094 300.251 213.398 PRESSAVG: 1927400 22.5126 25.8097 -7.56165 25.8097 -19.8106 -2.90981 -7.56159 -2.90985 7.53393 GPRESSAVG: 1927400 22.2433 27.1747 -6.16904 24.1468 -18.2254 -2.79055 -8.73934 -2.31809 5.74466 TIMING: 1927400 CPU: 6093.21, 0.00315247/step Wall: 6093.21, 0.00315247/step, 2.69063 hours remaining, 236.609375 MB of memory in use. ENERGY: 1927400 4008.9639 20555.3652 14457.3460 248.1297 -203850.0281 3009.7360 0.0000 0.0000 52038.1627 -109532.3246 299.0640 -161570.4873 -109175.5636 298.7960 129.2012 157.9868 761643.3061 3.4120 3.2542 PRESSURE: 1927600 240.307 184.526 -71.9585 184.527 121.198 250.842 -71.9576 250.841 425.346 GPRESSURE: 1927600 258.205 104.546 -192.282 142.851 223.766 193.869 4.63813 179.545 381.732 PRESSAVG: 1927600 -5.51352 -16.6609 32.9433 -16.661 3.04951 20.794 32.9433 20.794 -0.0774947 GPRESSAVG: 1927600 -6.50703 -19.0708 32.5597 -14.55 4.1527 21.0813 33.8349 20.2787 -0.193398 TIMING: 1927600 CPU: 6093.84, 0.00314157/step Wall: 6093.84, 0.00314157/step, 2.68115 hours remaining, 236.609375 MB of memory in use. ENERGY: 1927600 4040.0967 20697.7678 14471.8553 234.7136 -203764.6025 2762.0165 0.0000 0.0000 52052.1599 -109505.9929 299.1445 -161558.1527 -109147.1033 299.3921 262.2837 287.9008 759586.6890 -0.8472 -0.8492 PRESSURE: 1927800 179.23 -82.548 64.5762 -82.549 403.769 217.8 64.5759 217.801 117.952 GPRESSURE: 1927800 251.552 -41.1092 22.4465 -66.7109 431.611 227.43 -113.121 180.462 117.354 PRESSAVG: 1927800 6.31274 -13.6924 -1.86322 -13.6924 5.91165 34.2232 -1.86323 34.2231 -14.6821 GPRESSAVG: 1927800 5.8405 -12.529 -1.62039 -14.4118 5.02901 34.7086 -4.0375 32.8191 -12.8972 TIMING: 1927800 CPU: 6094.47, 0.00314256/step Wall: 6094.47, 0.00314256/step, 2.68183 hours remaining, 236.609375 MB of memory in use. ENERGY: 1927800 3986.0130 20582.5620 14406.2597 248.6684 -203427.3760 2718.4155 0.0000 0.0000 51986.1208 -109499.3366 298.7650 -161485.4574 -109124.4570 299.5140 233.6504 266.8389 759883.9968 -0.8192 -0.6759 PRESSURE: 1928000 -389.99 -97.1413 -134.133 -97.1409 -188.007 -124.222 -134.134 -124.221 -72.5642 GPRESSURE: 1928000 -316.376 -4.76288 -65.432 -20.3103 -130.883 -107.828 0.520087 -150.505 -98.8802 PRESSAVG: 1928000 2.2522 2.14566 -38.2391 2.14566 -11.0243 34.9756 -38.2391 34.9757 3.73662 GPRESSAVG: 1928000 4.15837 4.11983 -39.0842 1.50098 -12.8945 35.196 -35.4505 35.4502 3.606 TIMING: 1928000 CPU: 6095.1, 0.00315255/step Wall: 6095.1, 0.00315255/step, 2.69018 hours remaining, 236.609375 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: 1928000 3924.1492 20630.8724 14519.5157 248.9564 -203197.1266 2361.0933 0.0000 0.0000 52193.3726 -109319.1670 299.9560 -161512.5396 -108960.6911 299.4071 -216.8537 -182.0465 759625.5292 -1.6785 -1.7100 PRESSURE: 1928200 140.391 -258.276 338.738 -258.276 -56.012 -30.8345 338.737 -30.8341 46.8569 GPRESSURE: 1928200 261.241 -243.802 366.31 -121.229 -74.6985 -121.988 312.761 63.6001 30.393 PRESSAVG: 1928200 8.26066 -10.1448 19.8362 -10.1449 -17.4075 -16.9139 19.8362 -16.914 3.48572 GPRESSAVG: 1928200 7.55703 -12.7442 19.4495 -7.35387 -15.0231 -16.0643 19.3361 -18.3282 2.08861 TIMING: 1928200 CPU: 6095.73, 0.00313913/step Wall: 6095.73, 0.00313913/step, 2.67855 hours remaining, 236.609375 MB of memory in use. ENERGY: 1928200 3902.2968 20682.7340 14452.6396 252.9072 -203330.0740 2535.3573 0.0000 0.0000 52141.7603 -109362.3790 299.6594 -161504.1392 -108984.2023 299.4972 43.7454 72.3117 760094.7609 -1.8871 -1.7925 LDB: ============= START OF LOAD BALANCING ============== 6108.26 LDB: ============== END OF LOAD BALANCING =============== 6108.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6108.26 LDB: ============= START OF LOAD BALANCING ============== 6108.58 LDB: Largest compute 7043 load 0.030505 is 15.6% of average load 0.195535 LDB: Average compute 0.004397 is 2.2% of average load 0.195535 LDB: TIME 6108.58 LOAD: AVG 0.195535 MAX 0.214899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 6108.58 LOAD: AVG 0.195535 MAX 0.214899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 6108.58 LOAD: AVG 0.195535 MAX 0.214899 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 6108.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6108.59 PRESSURE: 1928400 -8.19079 -45.6885 -75.7852 -45.6891 329.788 -16.3013 -75.7854 -16.3004 300.93 GPRESSURE: 1928400 64.3216 51.4484 -47.4047 -50.2841 259.064 -47.8723 -115.612 75.2217 373.951 PRESSAVG: 1928400 -9.59041 44.5269 -27.5713 44.5269 27.3945 -8.05824 -27.5713 -8.05824 -6.23952 GPRESSAVG: 1928400 -9.69029 45.9814 -27.3329 42.734 26.9468 -10.7268 -28.9815 -4.9186 -5.77464 TIMING: 1928400 CPU: 6096.37, 0.00322381/step Wall: 6096.37, 0.00322381/step, 2.75063 hours remaining, 236.730469 MB of memory in use. ENERGY: 1928400 3945.4843 20537.8009 14451.2039 240.8509 -203520.6950 2621.8596 0.0000 0.0000 52100.9077 -109622.5877 299.4246 -161723.4954 -109252.5758 299.2974 207.5092 232.4458 761574.6804 3.8549 3.8273 PRESSURE: 1928600 455.773 210.053 14.7886 210.054 260.77 133.672 14.7885 133.671 -71.2135 GPRESSURE: 1928600 374.827 156.328 -7.70462 142.381 387.498 29.4738 -14.6401 -0.622535 -30.4658 PRESSAVG: 1928600 -33.2488 20.633 -32.6252 20.633 68.0071 -18.6917 -32.6251 -18.6917 -17.6124 GPRESSAVG: 1928600 -33.3755 18.8711 -30.5918 19.4037 68.259 -19.5456 -31.6868 -20.3452 -17.515 TIMING: 1928600 CPU: 6097, 0.00315099/step Wall: 6097, 0.00315099/step, 2.68832 hours remaining, 237.117188 MB of memory in use. ENERGY: 1928600 3956.2039 20445.3088 14484.2556 267.2317 -203715.5503 2721.6053 0.0000 0.0000 52123.6415 -109717.3034 299.5553 -161840.9449 -109347.7405 298.6850 215.1098 243.9532 760791.2663 5.7153 5.7895 PRESSURE: 1928800 -425.099 -63.5324 -233.203 -63.5322 297.029 -26.1615 -233.202 -26.1616 -223.478 GPRESSURE: 1928800 -296.13 24.2183 -182.177 36.8409 256.927 -19.093 -229.577 -8.19253 -239.698 PRESSAVG: 1928800 -60.1728 23.8158 -16.2259 23.8158 34.2596 -1.74823 -16.2259 -1.74816 -5.84999 GPRESSAVG: 1928800 -58.9305 23.607 -17.3278 27.2453 32.9924 1.16676 -15.6893 -3.1636 -5.77446 TIMING: 1928800 CPU: 6097.63, 0.0031585/step Wall: 6097.63, 0.0031585/step, 2.69455 hours remaining, 237.128906 MB of memory in use. ENERGY: 1928800 3977.5877 20628.4760 14457.7299 248.0010 -203379.2566 2692.7338 0.0000 0.0000 51745.9626 -109628.7655 297.3848 -161374.7281 -109270.9175 298.6479 -117.1828 -92.9670 762148.5073 -10.5877 -10.5708 PRESSURE: 1929000 96.8287 -44.9433 -40.7441 -44.9437 -86.3758 140.715 -40.7442 140.714 -426.684 GPRESSURE: 1929000 38.9573 37.4189 -29.8033 -65.1663 -37.4051 127.353 46.9809 178.5 -356.886 PRESSAVG: 1929000 -72.4619 15.9143 -66.4432 15.9143 71.9287 -15.3881 -66.4432 -15.3881 1.1917 GPRESSAVG: 1929000 -73.3228 17.1661 -67.7492 16.2844 72.1843 -15.0815 -66.2645 -14.9728 1.96079 TIMING: 1929000 CPU: 6098.27, 0.00316476/step Wall: 6098.27, 0.00316476/step, 2.69972 hours remaining, 237.332031 MB of memory in use. ENERGY: 1929000 3974.2225 20411.9148 14406.3375 248.3600 -203615.5236 2672.6678 0.0000 0.0000 52199.2788 -109702.7423 299.9900 -161902.0210 -109331.2964 299.2976 -138.7437 -118.4445 761579.9625 0.2195 0.2741 PRESSURE: 1929200 -231.856 75.9692 121.54 75.9688 64.5819 202.082 121.541 202.081 30.6921 GPRESSURE: 1929200 -260.066 114.107 124.502 17.8955 165.091 287.744 103.066 98.5607 11.2853 PRESSAVG: 1929200 -40.705 27.227 -56.8101 27.2269 65.0115 3.54255 -56.81 3.54248 -25.2495 GPRESSAVG: 1929200 -41.5287 27.6473 -57.5021 23.9358 64.8525 3.20681 -57.7698 3.40173 -24.7971 TIMING: 1929200 CPU: 6098.9, 0.00315282/step Wall: 6098.9, 0.00315282/step, 2.68936 hours remaining, 237.332031 MB of memory in use. ENERGY: 1929200 3942.1375 20513.2132 14463.8489 233.5345 -203817.3441 2519.4814 0.0000 0.0000 52151.3565 -109993.7722 299.7146 -162145.1287 -109625.4534 298.4239 -45.5273 -27.8966 761433.4252 -0.3143 -0.4911 PRESSURE: 1929400 88.5998 32.7891 177.357 32.7891 -191.337 -45.1926 177.358 -45.1929 -134.186 GPRESSURE: 1929400 110.229 136.101 205.024 -46.5573 -133.91 -7.14549 103.022 -135.393 -118.473 PRESSAVG: 1929400 -107.247 39.7869 15.7602 39.7868 67.7508 42.0155 15.7603 42.0155 12.7201 GPRESSAVG: 1929400 -105.91 37.5836 16.7499 40.0599 68.8169 40.2413 14.1614 42.5762 10.4683 TIMING: 1929400 CPU: 6099.53, 0.00317734/step Wall: 6099.53, 0.00317734/step, 2.71009 hours remaining, 237.332031 MB of memory in use. ENERGY: 1929400 3974.9765 20527.8729 14393.2410 228.5189 -203626.6311 2587.6669 0.0000 0.0000 52041.2332 -109873.1218 299.0817 -161914.3549 -109503.7864 298.2901 -78.9745 -47.3848 760566.4853 -8.9253 -8.8750 PRESSURE: 1929600 -28.8455 53.8153 -29.1238 53.8157 1.17167 0.462675 -29.1235 0.464233 441.203 GPRESSURE: 1929600 86.7109 146.5 -37.6032 178.729 1.11536 19.6978 -108.215 92.0114 414.375 PRESSAVG: 1929600 29.3441 89.5744 46.5674 89.5743 -67.3635 19.0168 46.5674 19.0168 5.28424 GPRESSAVG: 1929600 29.0232 91.3859 46.567 91.3541 -68.2133 18.6431 47.305 19.2514 6.68998 TIMING: 1929600 CPU: 6100.16, 0.00314425/step Wall: 6100.16, 0.00314425/step, 2.68169 hours remaining, 237.332031 MB of memory in use. ENERGY: 1929600 3948.3226 20401.2745 14459.3882 250.9371 -203506.0669 2736.1535 0.0000 0.0000 52144.3932 -109565.5978 299.6745 -161709.9910 -109192.2407 297.9944 137.8431 167.4004 762717.6432 -10.9117 -10.8334 PRESSURE: 1929800 -64.6593 41.1642 -95.9069 41.1631 -95.5107 92.1447 -95.9062 92.1441 270.985 GPRESSURE: 1929800 -82.5858 60.34 -154.671 -30.2388 32.7853 96.3724 22.0864 -85.7256 243.928 PRESSAVG: 1929800 17.7927 -18.6705 -59.2472 -18.6704 -2.25534 55.5692 -59.2473 55.5691 -9.35336 GPRESSAVG: 1929800 18.1668 -19.5488 -58.6812 -18.2154 -2.60351 57.4418 -57.5547 55.6744 -9.6472 TIMING: 1929800 CPU: 6100.79, 0.00315225/step Wall: 6100.79, 0.00315225/step, 2.68834 hours remaining, 237.332031 MB of memory in use. ENERGY: 1929800 3880.3969 20446.8963 14492.4087 255.9735 -203647.7402 2798.9346 0.0000 0.0000 52161.7503 -109611.3799 299.7743 -161773.1302 -109247.3528 298.4842 36.9384 64.7090 761415.4285 2.0613 1.9720 PRESSURE: 1930000 144.971 -42.9599 3.08565 -42.9594 4.52296 -6.80848 3.08495 -6.80907 98.3547 GPRESSURE: 1930000 110.564 -7.84774 25.9367 -99.7296 28.7403 27.0226 7.38903 159.439 189.554 PRESSAVG: 1930000 41.129 66.4458 -12.6581 66.4458 -50.947 1.38959 -12.6581 1.38953 -0.286501 GPRESSAVG: 1930000 40.8518 67.2735 -13.8867 64.4538 -50.2072 0.267703 -14.1852 1.3524 -0.862334 TIMING: 1930000 CPU: 6101.42, 0.00316001/step Wall: 6101.42, 0.00316001/step, 2.69479 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: 1930000 3906.8651 20567.0016 14486.6402 257.4113 -203704.8339 2938.2995 0.0000 0.0000 51875.7581 -109672.8580 298.1307 -161548.6162 -109305.6946 298.7377 82.6163 109.6192 761821.5497 -3.3681 -3.4059 PRESSURE: 1930200 154.063 -51.0173 -49.1478 -51.0174 -8.76542 110.498 -49.1476 110.499 -161.857 GPRESSURE: 1930200 294.069 2.86924 -3.53482 -20.0922 -90.1254 102.592 -119.518 122.036 -138.215 PRESSAVG: 1930200 85.8351 69.2558 -12.8276 69.2558 -95.2754 1.84517 -12.8276 1.84512 -11.0079 GPRESSAVG: 1930200 85.5251 68.7309 -10.8511 71.6649 -95.4188 2.07105 -14.7277 1.78354 -10.0942 TIMING: 1930200 CPU: 6102.05, 0.00315077/step Wall: 6102.05, 0.00315077/step, 2.68673 hours remaining, 237.332031 MB of memory in use. ENERGY: 1930200 4011.0744 20475.5326 14534.5883 249.1251 -203390.6022 2374.3359 0.0000 0.0000 52091.6989 -109654.2469 299.3717 -161745.9459 -109282.5280 298.7644 -5.5201 21.9097 761392.3866 -6.8161 -6.6626 PRESSURE: 1930400 118.868 -98.238 89.0086 -98.2378 -27.7291 -88.4492 89.0084 -88.4491 -507.543 GPRESSURE: 1930400 65.037 19.1044 70.1703 -132.293 95.8601 -212.97 83.8832 -116.485 -470.19 PRESSAVG: 1930400 60.2557 -22.7539 8.84976 -22.7538 -40.6248 2.94364 8.84973 2.94369 20.1224 GPRESSAVG: 1930400 60.1534 -22.7122 8.7089 -23.844 -40.0485 1.49718 11.0057 3.05761 19.684 TIMING: 1930400 CPU: 6102.68, 0.00314708/step Wall: 6102.68, 0.00314708/step, 2.68341 hours remaining, 237.332031 MB of memory in use. ENERGY: 1930400 4073.5175 20648.6206 14505.0235 249.2760 -203832.1833 2859.8811 0.0000 0.0000 52110.5030 -109385.3616 299.4798 -161495.8646 -109034.9447 299.5010 -138.8011 -103.0977 761336.2846 13.2511 13.2629 PRESSURE: 1930600 57.6312 80.1984 -62.5268 80.1981 -117.981 13.1279 -62.528 13.128 -91.1499 GPRESSURE: 1930600 35.742 112.126 -11.1396 97.7284 -41.6782 -32.6227 -66.9978 6.873 -42.3507 PRESSAVG: 1930600 -18.121 27.758 -27.7849 27.758 38.6678 -19.1226 -27.785 -19.1226 2.88912 GPRESSAVG: 1930600 -17.8221 28.2858 -27.2084 26.1331 37.4747 -17.6978 -27.3554 -19.3122 3.38598 TIMING: 1930600 CPU: 6103.31, 0.00315742/step Wall: 6103.31, 0.00315742/step, 2.69205 hours remaining, 237.332031 MB of memory in use. ENERGY: 1930600 4001.8895 20525.7139 14477.6666 263.1637 -203192.5276 2472.6110 0.0000 0.0000 52056.0222 -109395.4607 299.1667 -161451.4829 -109032.2948 299.4639 -50.5000 -16.0956 761222.1899 7.8120 7.6795 PRESSURE: 1930800 119.92 -320.602 116.544 -320.601 -262.704 51.1374 116.544 51.1375 -47.8905 GPRESSURE: 1930800 80.9102 -265.127 133.166 -258.894 -203.047 -1.57515 117.722 -1.84207 11.8545 PRESSAVG: 1930800 16.687 22.04 6.34671 22.04 -16.505 -32.9945 6.34671 -32.9944 22.45 GPRESSAVG: 1930800 16.6877 21.6408 6.82747 24.3831 -16.3321 -33.1857 9.27999 -34.1966 22.4777 TIMING: 1930800 CPU: 6103.94, 0.00314415/step Wall: 6103.94, 0.00314415/step, 2.68056 hours remaining, 237.332031 MB of memory in use. ENERGY: 1930800 4028.3338 20551.4386 14586.6744 258.5420 -203520.9254 2700.9625 0.0000 0.0000 52114.4415 -109280.5326 299.5024 -161394.9741 -108920.0664 299.6557 -63.5580 -36.7606 760565.2227 7.5440 7.6111 PRESSURE: 1931000 -478.337 -82.5357 63.972 -82.535 -370.727 -160.941 63.9729 -160.941 61.3346 GPRESSURE: 1931000 -491.552 -118.673 70.8998 -144.362 -322.861 -168.273 79.0666 -24.1761 119.837 PRESSAVG: 1931000 12.4692 -17.2419 -50.5444 -17.2418 10.4195 -10.5928 -50.5444 -10.5928 -3.50952 GPRESSAVG: 1931000 12.1639 -15.9874 -50.8157 -20.0306 11.1007 -10.2451 -53.4617 -8.37865 -3.59747 TIMING: 1931000 CPU: 6104.57, 0.00313859/step Wall: 6104.57, 0.00313859/step, 2.67565 hours remaining, 237.332031 MB of memory in use. ENERGY: 1931000 4034.7969 20482.9664 14604.4469 249.2259 -203539.9550 2516.0490 0.0000 0.0000 52171.3637 -109481.1062 299.8295 -161652.4699 -109106.3418 299.9389 -262.5763 -231.5253 762687.2394 6.4597 6.5557 PRESSURE: 1931200 116.916 -16.9541 -320.551 -16.9539 -129.155 -22.4487 -320.552 -22.4489 163.362 GPRESSURE: 1931200 177.544 0.0924462 -373.962 41.7765 -64.6942 94.877 -219.831 -101.886 119.378 PRESSAVG: 1931200 7.21614 33.1805 -25.3464 33.1805 31.322 26.194 -25.3464 26.1941 6.26809 GPRESSAVG: 1931200 5.81031 32.4807 -26.9858 33.7687 33.0476 27.6729 -24.8484 23.982 6.00025 TIMING: 1931200 CPU: 6105.2, 0.00313714/step Wall: 6105.2, 0.00313714/step, 2.67424 hours remaining, 237.332031 MB of memory in use. ENERGY: 1931200 4062.2850 20420.2196 14481.1491 257.7473 -203923.7513 3080.9503 0.0000 0.0000 51927.7871 -109693.6128 298.4297 -161621.3999 -109332.2869 299.2908 50.3744 77.4093 761918.5786 14.9354 14.9527 PRESSURE: 1931400 -154.84 38.3601 -362.959 38.3599 -340.285 -359.827 -362.958 -359.827 -293.684 GPRESSURE: 1931400 -99.2411 19.4226 -300.358 -27.3209 -274.155 -242.968 -329.667 -342.114 -336.474 PRESSAVG: 1931400 16.69 33.3524 -50.6973 33.3525 12.058 -5.67088 -50.6972 -5.67091 -11.1237 GPRESSAVG: 1931400 18.9859 32.0569 -50.35 33.7775 10.7367 -7.56366 -51.6498 -5.11129 -11.9222 TIMING: 1931400 CPU: 6105.83, 0.00315323/step Wall: 6105.83, 0.00315323/step, 2.68778 hours remaining, 237.332031 MB of memory in use. ENERGY: 1931400 4007.8533 20613.9164 14476.0392 265.3003 -203394.3939 2370.1961 0.0000 0.0000 52206.5127 -109454.5759 300.0315 -161661.0886 -109097.5702 298.8130 -262.9364 -236.6233 762607.9220 5.8748 5.9335 PRESSURE: 1931600 -393.542 83.6544 -80.4817 83.6556 -200.03 -132.523 -80.4823 -132.524 -383.899 GPRESSURE: 1931600 -332.359 100.914 -60.637 107.021 -214.005 -106.606 -5.12461 -11.5641 -319.693 PRESSAVG: 1931600 42.2244 35.8378 -0.978868 35.8379 -21.543 -69.2532 -0.978844 -69.2532 -0.149753 GPRESSAVG: 1931600 41.6005 37.2205 -0.468842 35.7978 -21.4685 -69.8022 -0.907165 -67.2548 0.294272 TIMING: 1931600 CPU: 6106.46, 0.00315636/step Wall: 6106.46, 0.00315636/step, 2.69027 hours remaining, 237.332031 MB of memory in use. ENERGY: 1931600 4018.0790 20636.6511 14501.5892 279.8901 -203344.4452 2371.0974 0.0000 0.0000 51880.7218 -109656.4167 298.1592 -161537.1385 -109300.8111 299.0747 -325.8237 -288.6853 761391.0572 6.8439 6.8088 PRESSURE: 1931800 283.54 -184.914 -14.1895 -184.913 167.074 16.3421 -14.1879 16.3423 171.991 GPRESSURE: 1931800 224.925 -63.0661 -2.83514 -58.2603 275.069 -93.4851 -125.98 23.3139 176.906 PRESSAVG: 1931800 3.26037 4.65677 -72.7714 4.65674 1.19959 -65.8089 -72.7714 -65.809 -10.7528 GPRESSAVG: 1931800 3.00851 4.06035 -73.4438 6.22688 0.902419 -65.9423 -71.9962 -65.6865 -10.2255 TIMING: 1931800 CPU: 6107.09, 0.00315988/step Wall: 6107.09, 0.00315988/step, 2.6931 hours remaining, 237.332031 MB of memory in use. ENERGY: 1931800 4016.1587 20617.0169 14479.5207 243.1427 -203573.9767 2600.4176 0.0000 0.0000 51805.5569 -109812.1632 297.7272 -161617.7201 -109446.1169 298.4463 207.5351 225.6331 760842.9774 -2.0976 -2.1048 PRESSURE: 1932000 355.034 58.3037 206.654 58.3033 196.507 129.011 206.656 129.011 138.468 GPRESSURE: 1932000 374.873 -20.9007 218.302 -2.76542 202.202 77.2293 270.31 127.673 180.022 PRESSAVG: 1932000 -6.66054 7.16249 1.7644 7.1625 9.75995 10.7752 1.76438 10.7752 4.33097 GPRESSAVG: 1932000 -6.8426 6.46408 2.57137 6.52779 9.92181 11.4242 2.48921 7.84041 4.02745 TIMING: 1932000 CPU: 6107.72, 0.00315509/step Wall: 6107.72, 0.00315509/step, 2.68883 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: 1932000 3994.7725 20420.2948 14508.1595 253.8553 -203595.0642 2822.7383 0.0000 0.0000 51810.5341 -109784.7098 297.7559 -161595.2439 -109428.8127 298.3075 230.0029 252.3660 759990.1686 2.4768 2.3689 PRESSURE: 1932200 557.107 -12.8669 -122.087 -12.8671 109.57 18.9831 -122.087 18.9827 97.2309 GPRESSURE: 1932200 557.059 -2.69738 -149.267 -24.3818 146.579 -31.499 -94.3301 81.4034 151.031 PRESSAVG: 1932200 33.2179 -44.403 -31.145 -44.4031 -61.5422 -17.8674 -31.145 -17.8673 26.5534 GPRESSAVG: 1932200 33.9406 -40.6538 -32.3831 -46.1231 -62.4231 -17.9646 -32.7915 -15.9343 26.4886 TIMING: 1932200 CPU: 6108.35, 0.0031426/step Wall: 6108.35, 0.0031426/step, 2.67802 hours remaining, 237.332031 MB of memory in use. ENERGY: 1932200 3923.8236 20510.2876 14496.6143 242.9407 -203538.4313 2616.4096 0.0000 0.0000 52082.4549 -109665.9007 299.3186 -161748.3556 -109293.6537 298.1410 254.6362 284.8900 761256.7358 -0.5903 -0.6646 LDB: ============= START OF LOAD BALANCING ============== 6120.89 LDB: ============== END OF LOAD BALANCING =============== 6120.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6120.89 LDB: ============= START OF LOAD BALANCING ============== 6121.21 LDB: Largest compute 7057 load 0.030004 is 15.3% of average load 0.195537 LDB: Average compute 0.004379 is 2.2% of average load 0.195537 LDB: TIME 6121.21 LOAD: AVG 0.195537 MAX 0.214365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 6121.21 LOAD: AVG 0.195537 MAX 0.214365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.285 MB LDB: TIME 6121.21 LOAD: AVG 0.195537 MAX 0.214365 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.285 MB LDB: ============== END OF LOAD BALANCING =============== 6121.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6121.22 PRESSURE: 1932400 -151.49 -120.832 -20.9421 -120.833 -102.448 -130.791 -20.943 -130.79 463.074 GPRESSURE: 1932400 -181.471 -96.0375 59.6589 -117.961 -61.432 -27.7198 -22.7225 -168.652 541.001 PRESSAVG: 1932400 23.0704 -48.8896 12.5139 -48.8896 -33.5698 -15.4435 12.514 -15.4436 12.7957 GPRESSAVG: 1932400 21.3116 -49.7116 13.5969 -48.13 -33.6761 -16.1921 14.9783 -16.1412 14.3724 TIMING: 1932400 CPU: 6109, 0.00324325/step Wall: 6109, 0.00324325/step, 2.76361 hours remaining, 234.996094 MB of memory in use. ENERGY: 1932400 3942.3077 20603.2044 14467.3772 253.5536 -203366.1091 2746.2278 0.0000 0.0000 51670.0564 -109683.3819 296.9485 -161353.4384 -109326.7188 298.3703 69.7120 99.3661 763205.4098 0.7654 0.6693 PRESSURE: 1932600 -96.0814 286.985 200.44 286.985 -147.291 234.106 200.44 234.107 181.659 GPRESSURE: 1932600 36.007 165.548 229.999 175.553 -174.508 191.896 148.494 39.5404 158.895 PRESSAVG: 1932600 -29.9591 -33.309 59.2313 -33.3091 18.5793 -4.66052 59.2313 -4.66048 11.9341 GPRESSAVG: 1932600 -28.7503 -33.6992 58.5582 -32.515 19.0834 -3.84021 58.7251 -5.50837 10.791 TIMING: 1932600 CPU: 6109.63, 0.00317185/step Wall: 6109.63, 0.00317185/step, 2.70259 hours remaining, 234.996094 MB of memory in use. ENERGY: 1932600 4005.3518 20477.1146 14434.5324 252.0247 -203220.9762 2583.4571 0.0000 0.0000 51834.2092 -109634.2863 297.8919 -161468.4955 -109278.0176 298.3239 -20.5711 6.7979 762702.1376 0.1847 0.3747 PRESSURE: 1932800 -318.252 -152.022 -38.2164 -152.022 -353.72 -142.904 -38.2167 -142.902 -594.734 GPRESSURE: 1932800 -217.182 -153.065 -93.882 -154.979 -335.071 -79.0865 -221.613 -31.1777 -621.373 PRESSAVG: 1932800 24.8841 -30.2366 -38.7262 -30.2366 -26.142 24.4401 -38.7263 24.4401 14.3823 GPRESSAVG: 1932800 26.045 -32.0985 -37.5237 -29.1924 -27.5096 24.0406 -42.4773 24.6242 14.9802 TIMING: 1932800 CPU: 6110.27, 0.00316667/step Wall: 6110.27, 0.00316667/step, 2.69801 hours remaining, 234.996094 MB of memory in use. ENERGY: 1932800 4004.5417 20461.3513 14550.6400 265.4498 -202827.2296 2205.9249 0.0000 0.0000 51757.5056 -109581.8164 297.4511 -161339.3220 -109218.3160 298.2471 -422.2351 -391.2085 763993.4868 4.3748 4.5052 PRESSURE: 1933000 84.1964 -80.0439 -15.1121 -80.045 111.504 112.462 -15.1121 112.463 -394.758 GPRESSURE: 1933000 79.9807 -50.7527 -71.5976 -52.6351 82.4341 131.807 -73.4401 119.241 -265.163 PRESSAVG: 1933000 41.4516 8.18613 -16.8663 8.18608 -5.02436 -32.7752 -16.8664 -32.7752 13.2673 GPRESSAVG: 1933000 40.441 10.0243 -18.8949 8.73672 -2.58474 -33.5508 -14.2744 -30.4709 11.4206 TIMING: 1933000 CPU: 6110.9, 0.00315018/step Wall: 6110.9, 0.00315018/step, 2.68378 hours remaining, 234.996094 MB of memory in use. ENERGY: 1933000 3925.6484 20475.9223 14481.5021 261.7093 -203299.9844 2519.8147 0.0000 0.0000 52001.3942 -109633.9934 298.8527 -161635.3876 -109280.7721 298.5908 -66.3524 -34.2493 761709.3269 16.5648 16.4256 PRESSURE: 1933200 -239.835 -89.3039 226.303 -89.3051 134.914 27.21 226.304 27.2104 -123.29 GPRESSURE: 1933200 -205.968 -135.607 322.522 -113.453 133.71 -63.6694 224.612 99.4951 -78.8341 PRESSAVG: 1933200 51.9656 23.8913 3.02633 23.8913 -27.0748 -15.2168 3.02635 -15.2169 -24.0813 GPRESSAVG: 1933200 50.93 23.1808 3.38403 23.075 -26.8032 -14.9004 3.66938 -14.9972 -22.9643 TIMING: 1933200 CPU: 6111.53, 0.00314889/step Wall: 6111.53, 0.00314889/step, 2.6825 hours remaining, 234.996094 MB of memory in use. ENERGY: 1933200 4017.7565 20402.9146 14466.5433 238.0912 -203518.6518 2694.9919 0.0000 0.0000 52184.4394 -109513.9149 299.9047 -161698.3543 -109149.4633 298.6529 -76.0705 -50.3640 761358.1589 0.2698 0.3875 PRESSURE: 1933400 156.049 -107.012 4.01682 -107.013 190.771 8.02459 4.01718 8.02414 89.0363 GPRESSURE: 1933400 228.571 -15.5811 -65.1568 17.5862 227.95 21.4786 85.1948 13.8165 55.9744 PRESSAVG: 1933400 8.81793 -11.9648 28.8145 -11.9648 -18.4497 -11.1355 28.8145 -11.1354 -19.7662 GPRESSAVG: 1933400 10.6366 -12.7236 31.6622 -11.948 -20.4965 -12.6242 27.9137 -11.6654 -20.057 TIMING: 1933400 CPU: 6112.16, 0.00315003/step Wall: 6112.16, 0.00315003/step, 2.6833 hours remaining, 234.996094 MB of memory in use. ENERGY: 1933400 3954.5769 20473.4109 14430.3027 242.4943 -203385.5122 2816.6355 0.0000 0.0000 52108.0499 -109360.0419 299.4657 -161468.0919 -108988.8966 299.3527 145.2853 170.8317 760791.3928 -9.7994 -9.9723 PRESSURE: 1933600 138.975 -197.069 18.9673 -197.069 24.0442 141.679 18.9673 141.678 -530.069 GPRESSURE: 1933600 149.482 -252.487 -19.5811 -100.633 31.7239 106.7 66.1005 88.598 -450.783 PRESSAVG: 1933600 -43.7375 -48.6764 -27.7144 -48.6765 9.92052 -57.0925 -27.7144 -57.0925 0.510136 GPRESSAVG: 1933600 -44.9491 -46.9594 -30.6847 -50.2293 11.6871 -56.3882 -27.2294 -56.2927 0.392902 TIMING: 1933600 CPU: 6112.79, 0.00316794/step Wall: 6112.79, 0.00316794/step, 2.69838 hours remaining, 234.996094 MB of memory in use. ENERGY: 1933600 3946.4096 20456.3623 14503.4643 235.6995 -203307.1754 2701.2096 0.0000 0.0000 52073.9875 -109390.0425 299.2699 -161464.0300 -109023.6323 298.9419 -122.3500 -89.8593 762004.1053 -11.1023 -10.9564 PRESSURE: 1933800 13.7613 -109.053 -15.2993 -109.052 -171.95 -148.687 -15.2991 -148.686 -185.603 GPRESSURE: 1933800 46.4559 -77.1268 35.3187 -3.20087 -100.732 -123.477 14.0066 -141.596 -220.705 PRESSAVG: 1933800 37.9886 -34.8682 9.12138 -34.8681 -31.593 -7.31765 9.12138 -7.31763 24.7391 GPRESSAVG: 1933800 38.0687 -37.5669 11.3402 -34.0077 -32.2929 -5.37885 8.49573 -7.89283 24.9207 TIMING: 1933800 CPU: 6113.42, 0.00316342/step Wall: 6113.42, 0.00316342/step, 2.69436 hours remaining, 234.996094 MB of memory in use. ENERGY: 1933800 4010.7062 20454.7950 14483.1713 259.4706 -203128.4842 2424.2883 0.0000 0.0000 52101.9473 -109394.1055 299.4306 -161496.0528 -109024.5340 298.8220 -114.5972 -91.6604 761725.6228 10.3782 10.2322 PRESSURE: 1934000 -382.628 -222.81 123.232 -222.81 313.406 138.996 123.232 138.997 53.5809 GPRESSURE: 1934000 -329.683 -127.797 87.1471 -174.649 380.717 111.972 97.0663 90.3178 40.0366 PRESSAVG: 1934000 -13.2433 -30.6001 29.9025 -30.6001 8.53369 -40.8704 29.9025 -40.8704 14.1061 GPRESSAVG: 1934000 -12.4661 -27.8506 28.9117 -30.4328 8.77923 -40.7907 30.018 -42.8512 13.6041 TIMING: 1934000 CPU: 6114.05, 0.00315338/step Wall: 6114.05, 0.00315338/step, 2.68563 hours remaining, 234.996094 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: 1934000 3993.3536 20556.7444 14494.3468 254.7812 -203352.7563 2932.2228 0.0000 0.0000 51888.5939 -109232.7135 298.2045 -161121.3074 -108868.9668 299.2770 -5.2135 30.3568 763404.0496 3.1322 3.3057 PRESSURE: 1934200 -145.726 285.161 -76.1921 285.162 -242.117 79.3123 -76.192 79.3123 -289.347 GPRESSURE: 1934200 -193.493 315.933 -86.0397 295.083 -135.254 111.092 -24.7082 150.779 -268.195 PRESSAVG: 1934200 -50.9763 -0.86751 -6.46381 -0.867478 48.0576 -27.6558 -6.4638 -27.6559 -1.06521 GPRESSAVG: 1934200 -52.1472 -3.72855 -7.35132 0.137605 48.2344 -29.4361 -6.71957 -24.958 -0.138109 TIMING: 1934200 CPU: 6114.68, 0.00314585/step Wall: 6114.68, 0.00314585/step, 2.67904 hours remaining, 234.996094 MB of memory in use. ENERGY: 1934200 4015.8115 20537.6486 14470.3054 239.5444 -203076.8877 2618.0781 0.0000 0.0000 52042.8378 -109152.6619 299.0909 -161195.4997 -108783.9683 299.2199 -225.7301 -198.9807 761447.7986 -1.3280 -1.3503 PRESSURE: 1934400 -29.1017 -87.9133 177.345 -87.9138 243.123 196.161 177.346 196.16 -174.858 GPRESSURE: 1934400 -24.6966 -116.952 148.759 -108.293 313.709 106.998 122.364 105.697 -135.633 PRESSAVG: 1934400 -1.50915 -4.80179 11.3203 -4.8018 5.41809 -18.0173 11.3203 -18.0173 -6.692 GPRESSAVG: 1934400 -0.998074 -5.89697 10.9341 -5.03882 5.6795 -16.8143 9.87026 -20.4087 -7.43142 TIMING: 1934400 CPU: 6115.32, 0.00316537/step Wall: 6115.32, 0.00316537/step, 2.69549 hours remaining, 234.996094 MB of memory in use. ENERGY: 1934400 4041.2484 20350.3618 14542.1371 267.3736 -203688.9983 2942.7423 0.0000 0.0000 52283.9856 -109261.1494 300.4768 -161545.1350 -108892.4472 298.7071 13.0544 51.1261 761874.5132 -0.9277 -0.9167 PRESSURE: 1934600 124.571 -110.609 170.612 -110.609 -205.623 40.6278 170.613 40.6273 40.2627 GPRESSURE: 1934600 67.6947 -114.12 222.337 -188.063 -123.673 43.3871 176.375 62.9411 88.7668 PRESSAVG: 1934600 -5.83119 -32.8781 0.402862 -32.8781 -24.6 5.43967 0.402778 5.43968 8.74217 GPRESSAVG: 1934600 -5.95458 -30.075 0.2371 -33.8659 -25.4647 5.75705 1.69111 6.05846 9.64982 TIMING: 1934600 CPU: 6115.95, 0.00316305/step Wall: 6115.95, 0.00316305/step, 2.69334 hours remaining, 234.996094 MB of memory in use. ENERGY: 1934600 3957.3916 20585.0827 14507.8548 251.9138 -203557.4119 2920.4031 0.0000 0.0000 52142.7829 -109191.9831 299.6653 -161334.7660 -108823.2368 299.2318 -13.5965 10.9295 761892.4016 -7.2297 -7.2565 PRESSURE: 1934800 207.139 -126.519 195.511 -126.518 59.3543 66.9599 195.511 66.9609 -426.208 GPRESSURE: 1934800 263.356 -142.68 150.991 -31.2057 42.6862 93.759 87.4401 43.5217 -386.776 PRESSAVG: 1934800 65.426 -27.5664 -43.0457 -27.5664 -43.7432 10.2589 -43.0458 10.259 -17.6732 GPRESSAVG: 1934800 64.3457 -27.9058 -43.024 -26.948 -42.7581 9.76386 -46.063 11.3489 -17.5554 TIMING: 1934800 CPU: 6116.58, 0.00316268/step Wall: 6116.58, 0.00316268/step, 2.69285 hours remaining, 234.996094 MB of memory in use. ENERGY: 1934800 3946.5380 20601.4109 14459.5405 262.4560 -203486.9627 2818.8106 0.0000 0.0000 52094.5998 -109303.6070 299.3884 -161398.2068 -108925.3790 299.8158 -53.2382 -26.9113 761221.3648 1.3365 1.3441 PRESSURE: 1935000 -43.7363 -301.435 -95.5634 -301.436 -135.609 -68.0202 -95.5639 -68.0188 84.5431 GPRESSURE: 1935000 -67.0941 -264.912 -112.882 -88.1269 -103.337 36.9416 11.3615 -119.714 161.617 PRESSAVG: 1935000 65.2281 18.0219 21.0351 18.0219 -14.8323 -11.0833 21.0351 -11.0833 -10.1516 GPRESSAVG: 1935000 65.1413 18.092 21.3566 18.7544 -14.4066 -10.4066 23.445 -12.0364 -10.7761 TIMING: 1935000 CPU: 6117.21, 0.00314786/step Wall: 6117.21, 0.00314786/step, 2.68005 hours remaining, 234.996094 MB of memory in use. ENERGY: 1935000 4005.6137 20372.3590 14575.1963 253.3658 -203487.3676 2757.7140 0.0000 0.0000 52337.0755 -109186.0433 300.7819 -161523.1188 -108821.4307 299.3545 -31.6007 -2.9381 761862.7228 13.4147 13.3195 PRESSURE: 1935200 -126.05 -242.017 -162.821 -242.016 80.2281 -29.8256 -162.82 -29.8251 143.472 GPRESSURE: 1935200 -116.698 -247.27 -131.006 -192.567 114.71 -54.732 -124.926 -9.27346 162.652 PRESSAVG: 1935200 61.0463 -0.938419 -15.2287 -0.938435 -71.1622 -41.9906 -15.2287 -41.9905 18.4348 GPRESSAVG: 1935200 61.2201 -1.26065 -15.1664 -2.28261 -70.6579 -40.657 -16.1057 -43.5708 18.3489 TIMING: 1935200 CPU: 6117.84, 0.00315671/step Wall: 6117.84, 0.00315671/step, 2.68741 hours remaining, 234.996094 MB of memory in use. ENERGY: 1935200 3941.0892 20654.7420 14477.0653 233.0215 -203770.4842 3144.0166 0.0000 0.0000 52085.5749 -109234.9746 299.3365 -161320.5495 -108874.3243 299.3512 32.5500 53.5546 762920.8657 2.7730 2.9704 PRESSURE: 1935400 -150.831 167.315 -79.4736 167.315 143.287 70.2709 -79.4739 70.2716 -297.372 GPRESSURE: 1935400 -92.6954 153.728 -85.6399 15.7757 95.9288 72.2891 -195.37 65.1786 -221.56 PRESSAVG: 1935400 12.8812 6.52044 25.651 6.52045 -1.9054 -34.8994 25.651 -34.8993 19.3147 GPRESSAVG: 1935400 13.9519 6.82372 24.8747 7.32004 -4.26455 -35.4323 27.3479 -33.6095 20.4149 TIMING: 1935400 CPU: 6118.47, 0.00314614/step Wall: 6118.47, 0.00314614/step, 2.67824 hours remaining, 234.996094 MB of memory in use. ENERGY: 1935400 3911.3999 20594.2620 14459.6434 261.9924 -203949.3980 3070.0143 0.0000 0.0000 52200.8362 -109451.2500 299.9989 -161652.0861 -109088.7091 299.3389 -101.6389 -72.7754 762302.1698 10.0969 10.0341 PRESSURE: 1935600 -162.501 2.94773 -93.6702 2.94754 80.5437 -95.0505 -93.6695 -95.0515 -355.753 GPRESSURE: 1935600 -53.1391 67.5889 -24.6463 56.0499 53.9782 7.48962 -96.3252 -50.9803 -337.518 PRESSAVG: 1935600 13.2326 -13.9642 -18.63 -13.9643 -13.7595 22.9313 -18.6301 22.9313 14.5311 GPRESSAVG: 1935600 12.6866 -14.1761 -16.5204 -12.6689 -11.6302 21.974 -20.893 23.7403 13.3492 TIMING: 1935600 CPU: 6119.1, 0.00313271/step Wall: 6119.1, 0.0031327/step, 2.66663 hours remaining, 234.996094 MB of memory in use. ENERGY: 1935600 4014.5048 20523.9961 14524.5490 263.3206 -203443.8035 2708.9234 0.0000 0.0000 51865.5853 -109542.9242 298.0722 -161408.5095 -109179.3139 298.8036 -145.9033 -112.2265 761386.7922 4.6681 4.8019 PRESSURE: 1935800 -257.367 -86.4919 210.767 -86.4922 227.058 -36.3579 210.768 -36.3578 -173.687 GPRESSURE: 1935800 -198.701 -135.877 246.497 3.85999 237.036 11.3599 219.043 -76.1437 -142.232 PRESSAVG: 1935800 -19.8079 39.3208 -25.8432 39.3208 68.8347 46.0541 -25.8432 46.054 -2.87847 GPRESSAVG: 1935800 -19.8463 38.7764 -27.1342 37.9198 68.0426 46.0931 -24.8352 46.4323 -1.78024 TIMING: 1935800 CPU: 6119.73, 0.00315315/step Wall: 6119.73, 0.00315315/step, 2.68386 hours remaining, 234.996094 MB of memory in use. ENERGY: 1935800 4079.9465 20420.4943 14535.1837 247.3335 -203962.1317 2765.2286 0.0000 0.0000 52497.4703 -109416.4749 301.7037 -161913.9452 -109052.2992 299.4860 -67.9989 -34.6325 760237.1840 15.3828 15.4720 PRESSURE: 1936000 -291.919 30.8144 -61.8555 30.8147 177.361 107.828 -61.8562 107.827 73.7767 GPRESSURE: 1936000 -202.644 43.5114 -41.5319 44.8129 117.608 177.076 -32.0862 13.7079 143.079 PRESSAVG: 1936000 -55.2896 -24.8426 -6.06588 -24.8426 71.4251 8.93217 -6.06589 8.9322 -4.74887 GPRESSAVG: 1936000 -56.0758 -23.2395 -6.58443 -24.7955 72.1205 9.29425 -5.57783 8.60396 -4.4 TIMING: 1936000 CPU: 6120.36, 0.00313529/step Wall: 6120.36, 0.00313529/step, 2.66848 hours remaining, 234.996094 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: 1936000 4043.4863 20688.2900 14442.2811 238.0559 -203511.2700 2597.4187 0.0000 0.0000 51955.2218 -109546.5162 298.5874 -161501.7380 -109193.9957 299.4922 -13.5938 19.3477 761493.6259 3.7955 3.8816 PRESSURE: 1936200 43.2381 4.71471 -21.3107 4.71527 124.496 66.0089 -21.312 66.009 16.2177 GPRESSURE: 1936200 132.59 -102.82 -30.6214 -56.9325 164.565 149.392 -55.7218 90.888 -36.0848 PRESSAVG: 1936200 63.601 -5.75769 50.1009 -5.7577 -35.0036 0.444042 50.1009 0.444107 12.7782 GPRESSAVG: 1936200 64.0444 -7.77737 49.9977 -4.33862 -35.3907 1.72292 51.4335 -0.0470911 12.2073 TIMING: 1936200 CPU: 6120.99, 0.00315488/step Wall: 6120.99, 0.00315488/step, 2.68498 hours remaining, 234.996094 MB of memory in use. ENERGY: 1936200 3969.8270 20552.1125 14525.4834 253.9455 -203539.8425 2647.3377 0.0000 0.0000 52057.3707 -109533.7657 299.1744 -161591.1364 -109169.5239 298.7908 61.3174 87.0232 760886.5214 13.7918 13.6203 LDB: ============= START OF LOAD BALANCING ============== 6133.52 LDB: ============== END OF LOAD BALANCING =============== 6133.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6133.52 LDB: ============= START OF LOAD BALANCING ============== 6133.84 LDB: Largest compute 7049 load 0.032191 is 16.5% of average load 0.195480 LDB: Average compute 0.004376 is 2.2% of average load 0.195480 LDB: TIME 6133.84 LOAD: AVG 0.19548 MAX 0.216321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.02 MB LDB: TIME 6133.84 LOAD: AVG 0.19548 MAX 0.216321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: TIME 6133.84 LOAD: AVG 0.19548 MAX 0.216321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: ============== END OF LOAD BALANCING =============== 6133.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6133.85 PRESSURE: 1936400 -98.2898 108.739 42.3688 108.739 -286.841 -164.183 42.3681 -164.184 -28.4178 GPRESSURE: 1936400 -84.2998 148.544 35.0448 69.8188 -151.894 -165.901 154.25 -239.18 -94.5848 PRESSAVG: 1936400 68.9816 -8.29604 12.317 -8.29607 -23.5064 10.0024 12.317 10.0025 -3.58171 GPRESSAVG: 1936400 68.479 -7.94429 12.6044 -9.80482 -24.4446 8.23197 11.1424 10.7315 -2.4268 TIMING: 1936400 CPU: 6121.63, 0.00322252/step Wall: 6121.63, 0.00322252/step, 2.74237 hours remaining, 235.507812 MB of memory in use. ENERGY: 1936400 4033.3137 20382.6808 14573.1048 233.8033 -203786.7963 2671.5375 0.0000 0.0000 52117.1869 -109775.1693 299.5182 -161892.3563 -109411.8918 298.1295 -137.8495 -110.2596 758989.1539 13.9645 13.8692 PRESSURE: 1936600 -56.5456 -274 44.3875 -274 -3.46646 125.631 44.3882 125.632 8.33643 GPRESSURE: 1936600 -64.5573 -282.991 5.72695 -215.94 58.7772 193.007 99.2628 133.329 41.381 PRESSAVG: 1936600 -24.8785 19.0042 -2.77771 19.0042 35.455 -5.46109 -2.77773 -5.461 19.4773 GPRESSAVG: 1936600 -23.865 18.9824 -2.5945 19.2573 35.4818 -6.3291 -2.68822 -4.55609 18.4982 TIMING: 1936600 CPU: 6122.26, 0.00315048/step Wall: 6122.26, 0.00315048/step, 2.68089 hours remaining, 235.906250 MB of memory in use. ENERGY: 1936600 4018.2985 20542.6789 14512.6377 264.6037 -203495.1863 2493.6405 0.0000 0.0000 52141.0531 -109522.2740 299.6553 -161663.3271 -109162.3667 298.9033 -17.2252 11.8670 761637.7902 10.0179 10.0383 PRESSURE: 1936800 -89.1462 -96.9786 14.3167 -96.9786 -35.8265 243.726 14.3169 243.726 407.202 GPRESSURE: 1936800 -89.8796 -103.627 14.496 7.49003 28.9179 236.742 -73.144 128.081 421.957 PRESSAVG: 1936800 48.1714 -21.9831 83.4221 -21.9831 -46.6164 -10.4223 83.422 -10.4222 -1.89085 GPRESSAVG: 1936800 46.4914 -20.5772 83.38 -23.7809 -45.4236 -9.30734 82.5631 -12.8486 -1.24114 TIMING: 1936800 CPU: 6122.89, 0.00315861/step Wall: 6122.89, 0.00315861/step, 2.68763 hours remaining, 236.109375 MB of memory in use. ENERGY: 1936800 3929.4721 20541.2842 14517.5191 256.5006 -203219.4182 2422.4112 0.0000 0.0000 52153.9879 -109398.2432 299.7297 -161552.2311 -109031.5903 299.3512 94.0765 120.3316 761638.0814 -0.1120 -0.0578 PRESSURE: 1937000 -110.252 1.33492 41.8769 1.33442 -92.6635 -11.045 41.8761 -11.0434 -347.666 GPRESSURE: 1937000 -103.339 54.7339 107.023 -0.181247 -8.92495 20.4152 75.0265 42.7896 -361.529 PRESSAVG: 1937000 40.9254 -46.5701 -18.5601 -46.5701 -5.44529 55.2663 -18.56 55.2663 -1.51641 GPRESSAVG: 1937000 41.9679 -46.8398 -17.5703 -43.6971 -6.04479 54.4613 -17.2626 57.8924 -1.44633 TIMING: 1937000 CPU: 6123.52, 0.00315239/step Wall: 6123.52, 0.00315239/step, 2.68216 hours remaining, 236.109375 MB of memory in use. ENERGY: 1937000 3989.4467 20437.6675 14472.5295 238.4842 -203314.5003 2531.0097 0.0000 0.0000 52115.5707 -109529.7920 299.5089 -161645.3627 -109172.7082 299.3857 -183.5270 -157.9308 760853.9573 11.3212 11.4922 PRESSURE: 1937200 -124.641 43.143 2.03609 43.1423 79.0849 47.6058 2.03646 47.6058 -300.883 GPRESSURE: 1937200 -85.4047 -28.8116 -13.7176 -23.9648 162.022 23.824 45.7463 113.672 -331.576 PRESSAVG: 1937200 -18.8772 -54.2862 -8.17833 -54.2862 35.9408 20.0826 -8.17838 20.0825 -0.112908 GPRESSAVG: 1937200 -18.4526 -55.6387 -8.25066 -55.9898 36.6328 19.9665 -9.38809 18.7532 -1.05597 TIMING: 1937200 CPU: 6124.16, 0.00315853/step Wall: 6124.16, 0.00315853/step, 2.68721 hours remaining, 236.109375 MB of memory in use. ENERGY: 1937200 3944.2188 20262.3517 14485.6212 245.9031 -203171.9230 2439.7698 0.0000 0.0000 52203.1457 -109590.9126 300.0122 -161794.0583 -109238.8150 298.6705 -115.4800 -84.9865 760368.9628 5.6502 5.7081 PRESSURE: 1937400 -54.1523 141.805 -78.0869 141.806 70.8267 -115.911 -78.0871 -115.911 57.8886 GPRESSURE: 1937400 53.8596 91.1426 -104.195 44.4652 100.108 -156.832 -107.577 -104.637 9.91814 PRESSAVG: 1937400 -18.4504 -64.0048 -20.3558 -64.0049 26.5165 -7.81548 -20.3558 -7.81548 -7.11658 GPRESSAVG: 1937400 -18.6759 -61.9332 -21.1948 -65.5785 26.9067 -6.05997 -20.1122 -7.82057 -7.20472 TIMING: 1937400 CPU: 6124.79, 0.0031611/step Wall: 6124.79, 0.0031611/step, 2.68922 hours remaining, 236.109375 MB of memory in use. ENERGY: 1937400 3975.7388 20459.4320 14521.5431 251.2033 -203423.0601 2712.1416 0.0000 0.0000 52063.3891 -109439.6122 299.2090 -161503.0013 -109069.7807 298.9409 24.8543 54.6286 763086.2758 0.3165 0.3420 PRESSURE: 1937600 -32.9667 111.208 85.9703 111.208 43.1015 20.354 85.9705 20.3547 -16.8297 GPRESSURE: 1937600 16.9106 182.207 101.244 150.691 99.6351 65.1223 14.6543 -77.5296 -29.3252 PRESSAVG: 1937600 8.58215 23.2326 -21.704 23.2325 -25.5431 -28.4919 -21.704 -28.4919 -9.8862 GPRESSAVG: 1937600 9.14486 22.5823 -20.4433 25.7099 -26.6352 -28.6542 -20.6317 -31.6534 -9.06059 TIMING: 1937600 CPU: 6125.42, 0.0031672/step Wall: 6125.42, 0.0031672/step, 2.69423 hours remaining, 236.109375 MB of memory in use. ENERGY: 1937600 3918.6211 20372.5210 14519.3900 233.8147 -203551.6210 2757.8137 0.0000 0.0000 52374.1792 -109375.2813 300.9951 -161749.4605 -109002.9372 298.7833 -2.2317 29.0735 762064.0332 -8.9491 -8.8503 PRESSURE: 1937800 329.154 -22.7624 -125.895 -22.7621 223.637 -41.032 -125.895 -41.0326 -76.6621 GPRESSURE: 1937800 296.759 -15.5847 -85.9691 -82.6959 231.825 -6.39173 -160.836 98.5457 29.6536 PRESSAVG: 1937800 24.4274 -2.93966 -15.5789 -2.93971 11.8305 -51.0965 -15.5789 -51.0965 4.70434 GPRESSAVG: 1937800 24.8015 -4.30218 -16.6298 -2.90708 12.2834 -52.3069 -15.5923 -48.023 3.86356 TIMING: 1937800 CPU: 6126.05, 0.00314415/step Wall: 6126.05, 0.00314415/step, 2.67445 hours remaining, 236.109375 MB of memory in use. ENERGY: 1937800 4062.7883 20401.1311 14483.4861 251.9256 -203537.6157 2850.9852 0.0000 0.0000 52289.5164 -109197.7829 300.5086 -161487.2993 -108836.5078 299.3366 158.7095 186.0791 760115.9940 13.6541 13.6495 PRESSURE: 1938000 172.477 51.3468 2.27907 51.3473 196.519 121.479 2.27843 121.479 -54.6063 GPRESSURE: 1938000 215.247 -21.6189 29.1944 -19.801 230.01 66.7997 -10.3387 146.039 -56.5648 PRESSAVG: 1938000 25.1098 41.6366 -57.266 41.6366 14.6092 26.0426 -57.266 26.0426 0.441976 GPRESSAVG: 1938000 25.469 43.3791 -58.0426 39.2273 13.7388 27.3654 -56.8986 23.4536 0.736196 TIMING: 1938000 CPU: 6126.68, 0.00314102/step Wall: 6126.68, 0.00314102/step, 2.67161 hours remaining, 236.109375 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: 1938000 4032.6405 20443.6323 14488.5437 247.1666 -203349.1943 2774.9683 0.0000 0.0000 52215.7587 -109146.4842 300.0847 -161362.2429 -108785.7607 299.4258 104.7967 129.5641 762126.6195 13.3870 13.3147 PRESSURE: 1938200 -16.0641 171.82 -174.279 171.82 59.9953 -1.72135 -174.279 -1.72135 80.6898 GPRESSURE: 1938200 54.0427 172.26 -192.415 169.91 49.7111 -75.0541 -10.2806 -53.5515 97.7602 PRESSAVG: 1938200 0.398332 46.1638 -32.3008 46.1637 17.6049 -16.3387 -32.3008 -16.3387 -24.4119 GPRESSAVG: 1938200 -0.688422 44.7765 -31.542 48.1447 18.3738 -18.4098 -32.2744 -13.9903 -24.6408 TIMING: 1938200 CPU: 6127.31, 0.003145/step Wall: 6127.31, 0.003145/step, 2.67483 hours remaining, 236.109375 MB of memory in use. ENERGY: 1938200 4064.9271 20681.9454 14556.3249 253.0538 -203654.6096 2723.2538 0.0000 0.0000 52164.8636 -109210.2409 299.7922 -161375.1045 -108843.2596 299.8712 41.5403 67.1713 762012.3599 -2.1362 -2.3185 PRESSURE: 1938400 74.1188 -141.399 -189.692 -141.399 -230.52 -112.379 -189.692 -112.378 -137.837 GPRESSURE: 1938400 137.202 -75.3083 -226.467 -131.281 -237.166 -65.3228 -126.872 -68.801 -96.295 PRESSAVG: 1938400 65.7814 43.8539 -20.336 43.8539 -48.6378 58.2435 -20.336 58.2435 10.9786 GPRESSAVG: 1938400 65.1237 46.225 -21.9248 45.5113 -49.1765 60.4272 -21.0367 57.2853 12.0677 TIMING: 1938400 CPU: 6127.94, 0.00315462/step Wall: 6127.94, 0.00315462/step, 2.68283 hours remaining, 236.109375 MB of memory in use. ENERGY: 1938400 4059.0342 20559.0363 14497.7044 235.3597 -203633.3905 2842.2371 0.0000 0.0000 52153.9240 -109286.0948 299.7293 -161440.0188 -108915.7889 299.4215 -98.0794 -65.4196 762435.8449 9.3741 9.3383 PRESSURE: 1938600 -78.1982 48.6136 63.4714 48.6141 -107.728 12.8813 63.4712 12.8818 191.658 GPRESSURE: 1938600 -118.607 15.7116 87.2096 29.3406 67.7551 35.1727 129.929 2.37187 136.414 PRESSAVG: 1938600 6.41689 -4.56759 17.6793 -4.56758 -32.3203 -25.1189 17.6793 -25.1189 20.3291 GPRESSAVG: 1938600 6.3567 -5.82905 19.1997 -6.19239 -31.7923 -29.7824 17.9681 -22.2446 19.9735 TIMING: 1938600 CPU: 6128.57, 0.00314221/step Wall: 6128.57, 0.00314221/step, 2.6721 hours remaining, 236.078125 MB of memory in use. ENERGY: 1938600 3851.2024 20678.5988 14555.0588 252.1718 -203669.2188 2920.5499 0.0000 0.0000 51959.9548 -109451.6823 298.6146 -161411.6372 -109096.4208 299.1176 1.9109 28.5207 760954.4460 -1.8581 -1.8207 PRESSURE: 1938800 -123.72 287.202 84.3519 287.201 -232.064 -24.6998 84.3517 -24.6989 160.941 GPRESSURE: 1938800 -107.703 118.592 133.26 301.774 -233.05 2.30798 -17.2656 -62.9396 211.96 PRESSAVG: 1938800 26.5228 12.9447 -5.33337 12.9447 -49.2977 -71.9159 -5.33331 -71.9159 3.44153 GPRESSAVG: 1938800 27.4081 11.3979 -5.8511 10.1788 -50.1403 -68.8758 -4.59776 -74.735 3.55796 TIMING: 1938800 CPU: 6129.19, 0.00313413/step Wall: 6129.19, 0.00313413/step, 2.66506 hours remaining, 236.109375 MB of memory in use. ENERGY: 1938800 3993.1630 20580.5110 14463.0237 223.2701 -202927.3961 2451.7980 0.0000 0.0000 51751.0723 -109464.5581 297.4141 -161215.6303 -109106.0970 298.8371 -64.9481 -42.9309 760965.5278 -6.4445 -6.3914 PRESSURE: 1939000 187.839 64.6845 160.537 64.6846 88.8448 -64.8084 160.538 -64.8085 57.9211 GPRESSURE: 1939000 242.079 66.3731 88.2383 42.5655 77.8922 -36.8363 138.097 -105.706 103.185 PRESSAVG: 1939000 -9.64752 5.76761 -10.9858 5.7676 -20.1692 -23.036 -10.9857 -23.036 -31.0714 GPRESSAVG: 1939000 -10.4028 6.26074 -8.63681 7.66927 -19.6137 -21.7089 -12.2822 -21.8447 -30.3261 TIMING: 1939000 CPU: 6129.82, 0.00313469/step Wall: 6129.82, 0.00313469/step, 2.66536 hours remaining, 236.109375 MB of memory in use. ENERGY: 1939000 3973.3913 20543.1006 14486.2757 216.7736 -203237.4352 2707.7619 0.0000 0.0000 51842.9518 -109467.1803 297.9422 -161310.1321 -109110.2180 298.4946 111.5351 141.0520 761388.8921 -20.2960 -20.1142 PRESSURE: 1939200 104.783 -1.69085 -106.242 -1.6904 -133.699 -89.0493 -106.241 -89.0495 -80.6658 GPRESSURE: 1939200 44.7082 19.3962 -128.554 42.8379 -60.7135 -116.163 -121.32 -69.8601 -7.429 PRESSAVG: 1939200 40.1336 -34.1792 -39.9947 -34.1793 15.6206 12.0911 -39.9948 12.0912 -4.74031 GPRESSAVG: 1939200 39.9436 -32.9881 -40.4258 -33.8078 16.4098 11.5162 -40.2125 10.3817 -4.96718 TIMING: 1939200 CPU: 6130.45, 0.00313926/step Wall: 6130.45, 0.00313926/step, 2.66907 hours remaining, 236.109375 MB of memory in use. ENERGY: 1939200 3934.4109 20571.9158 14512.8942 244.5693 -203642.6690 2805.8707 0.0000 0.0000 52228.6229 -109344.3852 300.1586 -161573.0081 -108983.1781 299.3502 -36.5270 -7.8115 761637.0009 17.0046 17.1288 PRESSURE: 1939400 89.7031 22.0717 -149.659 22.071 202.222 24.7787 -149.658 24.7799 -3.84741 GPRESSURE: 1939400 88.6761 118.263 -97.443 -22.9603 306.882 27.8105 -302.3 96.285 -24.0066 PRESSAVG: 1939400 44.7481 20.4519 -5.09561 20.4519 -16.5559 12.5186 -5.09565 12.5187 -19.558 GPRESSAVG: 1939400 44.8236 20.8164 -4.64239 17.604 -16.7026 10.9619 -6.57671 14.5157 -19.0209 TIMING: 1939400 CPU: 6131.08, 0.00313961/step Wall: 6131.08, 0.00313961/step, 2.66919 hours remaining, 236.109375 MB of memory in use. ENERGY: 1939400 4072.5274 20591.4613 14537.4490 258.6457 -203593.4935 2732.0625 0.0000 0.0000 51953.5258 -109447.8217 298.5776 -161401.3475 -109086.9915 299.5596 96.0258 123.8505 762286.3785 2.8781 3.0333 PRESSURE: 1939600 -117.965 -135.533 -149.16 -135.532 -350.846 30.2026 -149.159 30.203 -25.3397 GPRESSURE: 1939600 -132.314 -45.6113 -138.864 -151.304 -292.343 47.8338 -105.708 -114.554 4.01906 PRESSAVG: 1939600 -2.78551 5.25166 -6.8461 5.25158 17.7508 20.7595 -6.84611 20.7595 -12.0358 GPRESSAVG: 1939600 -2.72181 4.69076 -8.04341 8.03854 18.4414 22.8649 -5.27481 19.4411 -13.0633 TIMING: 1939600 CPU: 6131.7, 0.00312945/step Wall: 6131.7, 0.00312945/step, 2.66038 hours remaining, 236.109375 MB of memory in use. ENERGY: 1939600 4009.9048 20573.1233 14536.9142 267.0735 -203135.4513 2338.5931 0.0000 0.0000 52076.0579 -109333.7845 299.2818 -161409.8424 -108974.0334 299.3699 -164.7171 -140.2128 761906.3065 0.9765 0.8854 PRESSURE: 1939800 468.765 -16.4088 195.921 -16.4084 268.279 67.7718 195.921 67.7724 166.948 GPRESSURE: 1939800 496.392 60.4793 130.681 -53.2623 243.659 30.8425 380.236 49.4978 231.46 PRESSAVG: 1939800 27.2367 11.5211 -29.3239 11.5212 -7.38248 3.48868 -29.3239 3.48864 -9.08918 GPRESSAVG: 1939800 26.7589 11.4625 -31.8024 10.5088 -7.55633 2.53821 -26.7317 3.98351 -8.75547 TIMING: 1939800 CPU: 6132.33, 0.00314594/step Wall: 6132.33, 0.00314594/step, 2.67422 hours remaining, 236.109375 MB of memory in use. ENERGY: 1939800 3893.0397 20435.8734 14565.8611 243.4111 -203309.9653 2701.5338 0.0000 0.0000 52180.1677 -109290.0785 299.8801 -161470.2462 -108916.2569 299.0261 301.3309 323.8370 761323.7744 3.5884 3.4824 PRESSURE: 1940000 -72.8261 113.081 30.9965 113.08 450.098 78.099 30.9966 78.0988 -64.5024 GPRESSURE: 1940000 16.5453 246.138 1.9532 118.375 371.787 163.588 -5.24248 59.7188 -6.92147 PRESSAVG: 1940000 4.97443 36.9516 -40.3453 36.9516 -33.9725 -7.62254 -40.3453 -7.62249 1.47918 GPRESSAVG: 1940000 5.05987 37.7081 -39.9346 36.7509 -34.3353 -8.30513 -40.8547 -9.06069 1.75449 TIMING: 1940000 CPU: 6132.96, 0.00315149/step Wall: 6132.96, 0.00315149/step, 2.67877 hours remaining, 236.109375 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: 1940000 3985.1595 20534.6446 14575.4174 235.6036 -203110.6024 2507.4797 0.0000 0.0000 52242.4029 -109029.8947 300.2378 -161272.2976 -108665.1581 299.5215 104.2564 127.1369 762198.3990 -9.1729 -9.1737 PRESSURE: 1940200 271.95 24.392 215.961 24.3924 220.266 -66.2898 215.961 -66.2889 -253.463 GPRESSURE: 1940200 327.546 63.0526 220.508 27.4816 266.634 2.13332 353.28 -66.6374 -251.791 PRESSAVG: 1940200 -25.1931 -52.2398 -12.612 -52.2399 39.0205 9.97053 -12.612 9.97053 11.9092 GPRESSAVG: 1940200 -24.791 -54.4971 -10.8752 -50.116 39.0399 12.3069 -15.239 10.2383 11.6178 TIMING: 1940200 CPU: 6133.59, 0.00315237/step Wall: 6133.59, 0.00315237/step, 2.67934 hours remaining, 236.109375 MB of memory in use. ENERGY: 1940200 4045.3526 20569.9401 14501.1787 252.6825 -203591.9396 2934.6459 0.0000 0.0000 52355.9373 -108932.2025 300.8903 -161288.1398 -108566.6122 299.8936 79.5843 114.1296 762531.4865 8.5789 8.6222 LDB: ============= START OF LOAD BALANCING ============== 6146.12 LDB: ============== END OF LOAD BALANCING =============== 6146.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6146.13 LDB: ============= START OF LOAD BALANCING ============== 6146.44 LDB: Largest compute 7057 load 0.029054 is 14.9% of average load 0.195518 LDB: Average compute 0.004390 is 2.2% of average load 0.195518 LDB: TIME 6146.45 LOAD: AVG 0.195518 MAX 0.217648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.215 MB LDB: TIME 6146.45 LOAD: AVG 0.195518 MAX 0.217648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: TIME 6146.45 LOAD: AVG 0.195518 MAX 0.217648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: ============== END OF LOAD BALANCING =============== 6146.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6146.45 PRESSURE: 1940400 219.333 9.8173 -55.792 9.81716 108.687 107.021 -55.792 107.022 -35.8947 GPRESSURE: 1940400 269.445 -87.748 -50.1449 39.5003 101.792 27.0026 21.6554 212.564 6.26113 PRESSAVG: 1940400 -18.3501 39.689 -10.3276 39.6889 16.0299 79.1615 -10.3277 79.1615 18.5382 GPRESSAVG: 1940400 -18.135 39.934 -9.64714 39.2901 16.5733 76.4815 -8.36642 80.3487 18.3047 TIMING: 1940400 CPU: 6134.24, 0.00321753/step Wall: 6134.24, 0.00321753/step, 2.73454 hours remaining, 235.472656 MB of memory in use. ENERGY: 1940400 3926.2285 20524.8766 14530.0877 248.7336 -203451.0855 2826.0305 0.0000 0.0000 52375.7060 -109019.4225 301.0039 -161395.1285 -108659.1362 299.9042 97.3750 125.8326 761422.1505 5.4060 5.5810 PRESSURE: 1940600 69.6876 -49.4007 95.6464 -49.4013 50.3126 -53.421 95.6461 -53.4222 -2.51038 GPRESSURE: 1940600 2.36428 -86.051 190.14 -103.832 216.815 -78.0843 -11.3406 -61.0941 -15.7286 PRESSAVG: 1940600 -37.3233 9.9452 30.137 9.9452 36.268 21.0664 30.1371 21.0663 -22.6692 GPRESSAVG: 1940600 -37.0362 11.0207 28.201 6.37977 35.1131 21.4372 29.4454 18.3469 -22.007 TIMING: 1940600 CPU: 6134.86, 0.00313608/step Wall: 6134.86, 0.00313608/step, 2.66515 hours remaining, 235.539062 MB of memory in use. ENERGY: 1940600 3959.6682 20414.8343 14452.8066 241.5147 -203110.0882 2742.5544 0.0000 0.0000 52207.7140 -109090.9961 300.0384 -161298.7100 -108729.5371 300.0583 39.1633 67.8168 762315.2058 -7.9082 -7.9767 PRESSURE: 1940800 -66.1537 10.2768 -14.6345 10.2771 -256.357 -76.9917 -14.6345 -76.9927 99.0071 GPRESSURE: 1940800 -22.5827 -36.8644 91.8781 25.2524 -300.029 -160.325 -71.4133 28.8686 186.73 PRESSAVG: 1940800 29.4078 44.3314 -16.5623 44.3314 -32.0306 -11.49 -16.5623 -11.49 -7.36771 GPRESSAVG: 1940800 28.4159 45.2552 -15.6196 46.4056 -31.2065 -11.2321 -18.2032 -10.2005 -7.17415 TIMING: 1940800 CPU: 6135.49, 0.00314022/step Wall: 6135.49, 0.00314022/step, 2.66849 hours remaining, 235.539062 MB of memory in use. ENERGY: 1940800 4084.7683 20567.8839 14590.4788 240.5664 -203016.6590 2503.9369 0.0000 0.0000 52108.0405 -108920.9841 299.4656 -161029.0246 -108571.3685 299.9359 -74.5014 -45.2939 761064.2381 -3.3302 -3.3216 PRESSURE: 1941000 -255.342 170.111 -67.8417 170.111 155.262 -312.447 -67.8408 -312.447 197.457 GPRESSURE: 1941000 -48.5843 74.4948 -167.156 137.312 101.074 -413.55 -76.6766 -222.83 141.181 PRESSAVG: 1941000 -64.2355 1.55216 -0.16364 1.55217 42.3259 25.4558 -0.163677 25.4558 7.68145 GPRESSAVG: 1941000 -62.5532 -1.49423 -0.571966 2.71207 41.9341 26.0765 -1.53752 25.2846 5.98246 TIMING: 1941000 CPU: 6136.12, 0.00313293/step Wall: 6136.12, 0.00313293/step, 2.66212 hours remaining, 235.539062 MB of memory in use. ENERGY: 1941000 4036.4449 20527.9224 14523.9929 262.3038 -203097.4983 2676.0372 0.0000 0.0000 52207.0311 -108863.7660 300.0345 -161070.7970 -108497.1883 299.6199 32.4594 64.5568 762980.4546 -4.7427 -4.8789 PRESSURE: 1941200 19.9772 12.346 -69.484 12.3454 -126.68 230.965 -69.4838 230.965 -503.54 GPRESSURE: 1941200 -45.6076 72.4852 39.4608 7.71819 5.45161 178.443 -100.89 100.996 -482.699 PRESSAVG: 1941200 -17.1394 -10.7416 -34.0592 -10.7418 51.1501 -10.1925 -34.0593 -10.1925 17.6054 GPRESSAVG: 1941200 -18.744 -8.98283 -32.9944 -13.2238 52.412 -10.0835 -32.4753 -11.2484 18.1586 TIMING: 1941200 CPU: 6136.75, 0.00314374/step Wall: 6136.75, 0.00314374/step, 2.67113 hours remaining, 235.539062 MB of memory in use. ENERGY: 1941200 4022.0707 20625.0537 14663.6192 253.9688 -203411.3384 2813.7360 0.0000 0.0000 52147.2828 -108885.6073 299.6912 -161032.8901 -108521.4768 300.1750 -203.4142 -174.2850 762393.4183 17.2054 17.2755 PRESSURE: 1941400 -293.183 -19.1078 4.1037 -19.1084 18.3777 -20.5907 4.1044 -20.5919 83.1884 GPRESSURE: 1941400 -296.914 6.58044 -16.5068 32.4477 126.014 -27.4713 -49.5382 -148.79 74.4226 PRESSAVG: 1941400 -18.148 3.9901 19.4376 3.99009 71.7345 -29.7513 19.4376 -29.7512 -10.9826 GPRESSAVG: 1941400 -18.3986 2.53015 19.5375 6.37824 71.023 -31.5113 21.1352 -26.2154 -10.1945 TIMING: 1941400 CPU: 6137.38, 0.00315983/step Wall: 6137.38, 0.00315983/step, 2.68463 hours remaining, 235.539062 MB of memory in use. ENERGY: 1941400 4099.3818 20771.0687 14616.0488 244.4293 -203113.6262 2541.4064 0.0000 0.0000 52125.5241 -108715.7672 299.5661 -160841.2913 -108360.2147 300.6550 -63.8722 -32.1593 762297.1092 14.2013 14.1433 PRESSURE: 1941600 -399.844 265.696 132.257 265.696 103.444 -71.0102 132.257 -71.0094 -37.7508 GPRESSURE: 1941600 -292.407 257.45 115.101 279.777 171.198 -112.698 71.7801 7.17226 -110.877 PRESSAVG: 1941600 -26.6853 59.885 -38.0122 59.8849 35.6664 -25.7348 -38.0122 -25.7348 -15.7363 GPRESSAVG: 1941600 -26.8659 59.17 -37.6328 60.5303 36.428 -25.8242 -38.1077 -27.0648 -16.3548 TIMING: 1941600 CPU: 6138.01, 0.00315308/step Wall: 6138.01, 0.00315308/step, 2.67872 hours remaining, 235.539062 MB of memory in use. ENERGY: 1941600 3985.3027 20506.5085 14511.1830 268.5965 -203082.8671 2543.8940 0.0000 0.0000 52360.8620 -108906.5205 300.9186 -161267.3824 -108534.9629 300.4186 -111.3838 -77.3617 761912.4163 -2.2517 -2.2642 PRESSURE: 1941800 -131.324 10.0539 -119.03 10.0535 -15.1531 -61.3462 -119.031 -61.346 282.493 GPRESSURE: 1941800 -178.036 -62.9686 -75.0069 -48.9568 94.8137 -20.3476 -15.7415 -29.3388 290.875 PRESSAVG: 1941800 -30.2092 -21.4292 26.6054 -21.4292 82.0633 -31.3095 26.6055 -31.3095 0.73566 GPRESSAVG: 1941800 -30.7731 -20.5988 26.955 -23.4606 81.4943 -29.2033 25.0751 -32.1951 1.10965 TIMING: 1941800 CPU: 6138.64, 0.00313858/step Wall: 6138.64, 0.00313858/step, 2.66623 hours remaining, 235.539062 MB of memory in use. ENERGY: 1941800 4003.6944 20773.9710 14546.3403 236.9947 -202848.7666 2414.3225 0.0000 0.0000 52088.3846 -108785.0592 299.3527 -160873.4437 -108421.7054 300.6330 45.3387 69.2175 762523.2617 17.5299 17.2770 PRESSURE: 1942000 114.768 -73.0992 -2.09011 -73.099 -106.46 -9.56957 -2.09056 -9.57061 -340.957 GPRESSURE: 1942000 127.628 -2.25659 -42.3075 -33.2618 -107.618 -120.471 0.785099 -40.2733 -288.319 PRESSAVG: 1942000 -32.6517 -14.4824 38.5529 -14.4824 60.073 91.9243 38.5529 91.9244 12.6385 GPRESSAVG: 1942000 -33.2566 -10.9178 38.3932 -14.3717 60.1638 90.6542 39.6529 92.0968 12.3161 TIMING: 1942000 CPU: 6139.27, 0.00314636/step Wall: 6139.27, 0.00314636/step, 2.67265 hours remaining, 235.539062 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: 1942000 4033.8957 20605.0540 14462.7769 230.2458 -203303.4793 2721.2303 0.0000 0.0000 52476.2541 -108774.0226 301.5818 -161250.2766 -108405.4694 300.5733 -110.8827 -89.4361 760206.3658 13.3533 13.0744 PRESSURE: 1942200 -238.406 -170.893 -2.87256 -170.894 -63.3691 42.8341 -2.87364 42.835 -295.218 GPRESSURE: 1942200 -181.873 -233.215 -38.9558 -194.105 -39.1084 24.9832 -51.8205 244.417 -311.002 PRESSAVG: 1942200 18.1764 0.94405 51.9343 0.944075 -62.7298 0.941826 51.9344 0.941805 13.4497 GPRESSAVG: 1942200 18.608 -2.34081 50.3597 1.35764 -62.8837 0.897193 52.5579 1.62415 12.5908 TIMING: 1942200 CPU: 6139.89, 0.00313046/step Wall: 6139.89, 0.00313046/step, 2.65898 hours remaining, 235.539062 MB of memory in use. ENERGY: 1942200 4060.7813 20505.4717 14536.1456 255.6282 -202985.5706 2374.0081 0.0000 0.0000 52328.3161 -108925.2197 300.7316 -161253.5358 -108552.1852 300.4656 -198.9977 -177.3278 760641.7737 -10.3679 -10.5616 PRESSURE: 1942400 6.0716 -130.664 49.5025 -130.663 -95.9622 119.044 49.5025 119.044 -253.195 GPRESSURE: 1942400 -17.4805 -36.0289 82.0851 -161.258 -58.1261 177.617 18.414 72.2122 -167.6 PRESSAVG: 1942400 -1.48421 -10.593 51.7635 -10.593 -17.7716 -14.4887 51.7635 -14.4887 2.15174 GPRESSAVG: 1942400 -3.38921 -8.76389 52.4122 -10.3117 -18.4685 -14.2255 50.2737 -15.7053 3.82987 TIMING: 1942400 CPU: 6140.52, 0.00314339/step Wall: 6140.52, 0.00314339/step, 2.66979 hours remaining, 235.539062 MB of memory in use. ENERGY: 1942400 4127.9914 20555.7185 14547.2879 262.9593 -203302.3979 2823.9093 0.0000 0.0000 52132.9773 -108851.5543 299.6089 -160984.5316 -108488.2591 300.4470 -114.3618 -81.0690 762358.6892 -5.7014 -6.0093 PRESSURE: 1942600 -9.08266 -134.896 46.3378 -134.898 -217.748 144.779 46.3378 144.778 -61.1448 GPRESSURE: 1942600 28.163 -215.876 -19.4581 -91.8316 -180.994 235.191 71.5661 37.1552 -54.7694 PRESSAVG: 1942600 -17.8103 21.9626 1.83954 21.9627 56.6217 15.6671 1.83955 15.6671 -20.9656 GPRESSAVG: 1942600 -15.6279 20.2462 1.46687 21.249 55.16 14.9615 2.34442 16.589 -21.9664 TIMING: 1942600 CPU: 6141.15, 0.00315182/step Wall: 6141.15, 0.00315182/step, 2.67677 hours remaining, 235.539062 MB of memory in use. ENERGY: 1942600 4080.4934 20520.3737 14505.6682 262.6646 -203686.8363 2932.4225 0.0000 0.0000 52410.8814 -108974.3324 301.2061 -161385.2139 -108610.4798 300.0351 -95.9918 -69.2000 762356.3728 5.9486 5.8553 PRESSURE: 1942800 303.486 -175.438 -20.3941 -175.438 -121.559 -0.931346 -20.3943 -0.930812 -190.115 GPRESSURE: 1942800 361.463 -175.26 -106.799 -170.962 -147.824 -27.6682 -47.8085 44.7211 -129.76 PRESSAVG: 1942800 28.7878 23.9107 6.12974 23.9107 15.5584 43.3578 6.12972 43.3578 5.05093 GPRESSAVG: 1942800 28.0585 27.3148 5.48126 23.0555 16.2516 44.5741 5.73097 42.373 4.69499 TIMING: 1942800 CPU: 6141.78, 0.00315916/step Wall: 6141.78, 0.00315916/step, 2.68283 hours remaining, 235.539062 MB of memory in use. ENERGY: 1942800 4113.1444 20500.0835 14529.0430 251.2649 -203581.6678 2979.3514 0.0000 0.0000 52033.5345 -109175.2460 299.0374 -161208.7805 -108809.2612 299.7352 -2.7295 27.9598 762823.0969 16.4657 16.3350 PRESSURE: 1943000 -116.386 54.6171 194.828 54.6172 -107.975 -116.492 194.829 -116.492 101.328 GPRESSURE: 1943000 -17.7412 83.0392 168.872 7.71992 -125.161 -134.403 189.751 -50.9534 111.943 PRESSAVG: 1943000 14.094 25.2902 27.7474 25.2902 -23.6033 -2.28491 27.7474 -2.28484 -2.85301 GPRESSAVG: 1943000 14.1132 25.0024 28.6125 27.2284 -23.6412 -3.14948 29.7279 -2.47297 -2.35316 TIMING: 1943000 CPU: 6142.41, 0.00314654/step Wall: 6142.41, 0.00314654/step, 2.67194 hours remaining, 235.539062 MB of memory in use. ENERGY: 1943000 4047.6998 20427.6274 14500.1745 253.5943 -203212.8297 2752.4177 0.0000 0.0000 52179.0236 -109052.2924 299.8736 -161231.3160 -108692.0493 299.5382 -41.0110 -10.3196 764087.5927 -4.1208 -3.9604 PRESSURE: 1943200 -156.412 -106.581 -6.36341 -106.581 -137.668 157.598 -6.36327 157.599 -186.46 GPRESSURE: 1943200 -91.9139 -99.8578 65.6679 -52.8483 -107.979 73.5663 -85.454 117.329 -219.385 PRESSAVG: 1943200 2.34175 -0.279768 14.2086 -0.279756 5.50528 12.1621 14.2087 12.1621 -12.7773 GPRESSAVG: 1943200 2.69353 -1.90292 13.4607 -1.03527 5.68873 11.6889 13.3619 11.7796 -13.1663 TIMING: 1943200 CPU: 6143.05, 0.00316495/step Wall: 6143.05, 0.00316495/step, 2.68739 hours remaining, 235.539062 MB of memory in use. ENERGY: 1943200 3973.5527 20393.6113 14465.6152 239.6890 -203381.7442 2933.7883 0.0000 0.0000 52236.7733 -109138.7144 300.2055 -161375.4878 -108771.7694 299.2058 -160.1800 -139.7593 765482.4261 -1.6434 -1.5947 PRESSURE: 1943400 -109.188 -3.4372 80.0508 -3.43701 -456.659 89.1847 80.0505 89.1844 -451.254 GPRESSURE: 1943400 -98.6058 -14.5974 139.608 0.180084 -372.401 80.7194 7.21777 148.813 -478.501 PRESSAVG: 1943400 -5.65482 4.48183 13.0816 4.48182 -22.5064 -40.665 13.0816 -40.665 9.56517 GPRESSAVG: 1943400 -5.03727 2.01548 12.4847 5.0615 -22.4465 -38.7156 13.3758 -41.3969 8.76296 TIMING: 1943400 CPU: 6143.68, 0.0031599/step Wall: 6143.68, 0.0031599/step, 2.68293 hours remaining, 235.539062 MB of memory in use. ENERGY: 1943400 3955.5565 20542.3499 14523.7315 231.8863 -202805.1885 2431.1688 0.0000 0.0000 51924.2283 -109196.2670 298.4093 -161120.4954 -108838.7727 298.4370 -339.0338 -316.5026 765582.4467 -6.1987 -6.2403 PRESSURE: 1943600 186.813 -171.895 -48.1365 -171.896 36.9889 -228.359 -48.1365 -228.36 -28.8574 GPRESSURE: 1943600 175.617 -156.306 -61.4162 -157.994 109.718 -170.78 -63.8282 -170.829 -26.0213 PRESSAVG: 1943600 8.79983 -28.0206 35.309 -28.0206 1.56641 2.74694 35.3089 2.74695 30.8194 GPRESSAVG: 1943600 7.88868 -25.9892 35.33 -28.4487 2.55803 2.81042 34.0798 4.75531 30.9612 TIMING: 1943600 CPU: 6144.31, 0.00316223/step Wall: 6144.31, 0.00316223/step, 2.68473 hours remaining, 235.539062 MB of memory in use. ENERGY: 1943600 3981.3608 20697.0195 14535.0703 261.8287 -203571.4707 2875.0162 0.0000 0.0000 51890.9806 -109330.1945 298.2182 -161221.1751 -108979.9405 299.2537 64.9815 86.4377 764178.7982 13.7285 13.8026 PRESSURE: 1943800 -250.452 50.8218 -134.685 50.8229 -323.761 81.0855 -134.684 81.0847 -347.109 GPRESSURE: 1943800 -214.555 -6.3546 -136.46 12.4607 -279.468 -8.97537 -278.847 196.566 -367.982 PRESSAVG: 1943800 -5.92587 4.15642 -10.7269 4.15646 -31.3873 40.4854 -10.7269 40.4855 0.0830707 GPRESSAVG: 1943800 -4.84421 5.05335 -9.80388 4.07217 -32.6626 38.711 -11.5887 40.2683 0.105869 TIMING: 1943800 CPU: 6144.94, 0.00315163/step Wall: 6144.94, 0.00315163/step, 2.67556 hours remaining, 235.539062 MB of memory in use. ENERGY: 1943800 3994.6669 20515.8473 14563.3305 251.2150 -203201.0928 2689.1416 0.0000 0.0000 51669.6475 -109517.2440 296.9462 -161186.8915 -109160.3427 298.5363 -307.1071 -287.3349 764747.9427 -12.4100 -12.4670 PRESSURE: 1944000 90.0481 -104.162 160.37 -104.163 5.72528 -77.1699 160.371 -77.1688 226.967 GPRESSURE: 1944000 147.349 -120.696 151.386 -124.486 -0.225767 -81.8447 80.2878 -73.649 272.324 PRESSAVG: 1944000 18.4162 1.4043 0.791232 1.40427 -9.29431 48.7825 0.791291 48.7826 9.04552 GPRESSAVG: 1944000 18.1816 1.4704 0.261689 1.00217 -8.22849 49.1827 1.28906 48.1976 7.71615 TIMING: 1944000 CPU: 6145.57, 0.00315092/step Wall: 6145.57, 0.00315092/step, 2.67478 hours remaining, 235.539062 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: 1944000 3980.0123 20414.9632 14594.3293 270.0753 -203462.0004 2640.7485 0.0000 0.0000 52068.4556 -109493.4162 299.2381 -161561.8717 -109135.4496 298.4062 107.5802 139.8157 761778.3285 6.0558 5.8898 PRESSURE: 1944200 51.4151 -98.3218 -79.3843 -98.3215 1.37364 -130.155 -79.3835 -130.155 -294.951 GPRESSURE: 1944200 10.3798 -114.551 -38.0099 -145.341 78.5557 -159.375 -58.5206 -234.783 -255.499 PRESSAVG: 1944200 16.9155 16.0873 45.4114 16.0872 15.7396 -28.4018 45.4113 -28.4018 9.85986 GPRESSAVG: 1944200 15.7802 14.398 47.7268 17.1601 15.2588 -27.9453 44.1714 -27.5543 11.468 TIMING: 1944200 CPU: 6146.2, 0.00315735/step Wall: 6146.2, 0.00315735/step, 2.68007 hours remaining, 235.539062 MB of memory in use. ENERGY: 1944200 4059.9064 20517.7942 14508.8203 261.0437 -203229.8168 2559.3222 0.0000 0.0000 51976.8108 -109346.1193 298.7114 -161322.9301 -108991.5034 299.4431 -80.7208 -55.5211 762954.3853 14.1717 14.1690 LDB: ============= START OF LOAD BALANCING ============== 6158.74 LDB: ============== END OF LOAD BALANCING =============== 6158.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6158.74 LDB: ============= START OF LOAD BALANCING ============== 6159.05 LDB: Largest compute 7049 load 0.029741 is 15.2% of average load 0.195606 LDB: Average compute 0.004369 is 2.2% of average load 0.195606 LDB: TIME 6159.06 LOAD: AVG 0.195606 MAX 0.214944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.02 MB LDB: TIME 6159.06 LOAD: AVG 0.195606 MAX 0.214944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.02 MB LDB: TIME 6159.06 LOAD: AVG 0.195606 MAX 0.214944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.02 MB LDB: ============== END OF LOAD BALANCING =============== 6159.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6159.06 PRESSURE: 1944400 -619.704 -16.2692 52.4941 -16.269 -91.0428 47.9537 52.4934 47.9541 -449.309 GPRESSURE: 1944400 -583.184 35.0832 -18.3443 110.076 -127.272 168.804 24.7814 -1.59088 -360.865 PRESSAVG: 1944400 17.6695 -14.4413 48.9954 -14.4412 6.69528 -19.6767 48.9955 -19.6767 -16.5361 GPRESSAVG: 1944400 19.5184 -14.6169 47.9677 -13.8401 5.56782 -19.4137 48.5318 -21.7326 -16.9467 TIMING: 1944400 CPU: 6146.85, 0.00322411/step Wall: 6146.85, 0.00322411/step, 2.73655 hours remaining, 235.792969 MB of memory in use. ENERGY: 1944400 3977.7816 20678.3264 14474.0859 261.8578 -202918.5564 2447.4771 0.0000 0.0000 51955.2982 -109123.7294 298.5878 -161079.0277 -108770.4919 299.9228 -386.6852 -357.1068 762539.7618 2.6096 2.7132 PRESSURE: 1944600 275.916 -197.818 134.05 -197.818 114.546 82.5241 134.049 82.5241 -232.24 GPRESSURE: 1944600 230.704 -59.1857 88.4003 -153.887 181.791 90.3382 106.011 40.9018 -164.047 PRESSAVG: 1944600 26.0873 -12.9466 21.0628 -12.9467 -5.21147 -18.4174 21.0629 -18.4174 24.8271 GPRESSAVG: 1944600 25.719 -10.4945 21.0058 -14.7462 -4.35072 -18.7905 23.1399 -17.686 24.5852 TIMING: 1944600 CPU: 6147.48, 0.00314729/step Wall: 6147.48, 0.00314729/step, 2.67117 hours remaining, 235.804688 MB of memory in use. ENERGY: 1944600 4019.1404 20657.6161 14526.2556 246.3322 -203551.3886 2705.3865 0.0000 0.0000 52144.8174 -109251.8404 299.6770 -161396.6578 -108900.4562 299.7029 52.7407 82.8158 761117.9657 15.2343 15.3178 PRESSURE: 1944800 -19.7437 -5.4481 -177.374 -5.44787 -25.9332 53.0465 -177.374 53.0468 57.9052 GPRESSURE: 1944800 33.0214 -22.3038 -158.523 -66.4916 1.29557 3.23941 -168.637 -5.27331 55.308 PRESSAVG: 1944800 17.3213 -54.7019 -14.5912 -54.7019 -13.708 -8.93392 -14.5912 -8.93396 -22.5949 GPRESSAVG: 1944800 17.3153 -56.2553 -15.463 -53.4757 -14.1425 -8.96693 -14.1756 -8.85635 -22.713 TIMING: 1944800 CPU: 6148.11, 0.00315853/step Wall: 6148.11, 0.00315853/step, 2.68054 hours remaining, 235.804688 MB of memory in use. ENERGY: 1944800 3978.3860 20500.4227 14513.5106 256.2513 -203687.7119 2793.9917 0.0000 0.0000 52239.3075 -109405.8420 300.2200 -161645.1496 -109044.9551 299.7955 4.0761 29.8750 761225.0210 -6.3272 -6.5134 PRESSURE: 1945000 -207.283 -81.7352 -23.9671 -81.7354 92.9436 95.7781 -23.967 95.7782 52.7614 GPRESSURE: 1945000 -13.3027 -44.5751 14.6471 -19.2453 16.9501 21.8243 -15.3124 177.304 28.7599 PRESSAVG: 1945000 15.6039 49.4901 -2.31872 49.4901 -1.22913 -24.9539 -2.3187 -24.9539 0.110307 GPRESSAVG: 1945000 15.0485 48.6891 -3.1698 49.4532 -1.24368 -26.0161 -1.96712 -22.9513 0.475399 TIMING: 1945000 CPU: 6148.74, 0.00314804/step Wall: 6148.74, 0.00314804/step, 2.67147 hours remaining, 235.804688 MB of memory in use. ENERGY: 1945000 4067.1599 20547.7828 14556.6090 256.8626 -203972.4526 2957.0231 0.0000 0.0000 52376.1656 -109210.8497 301.0065 -161587.0153 -108843.2105 299.8504 -20.5261 10.8024 760717.4274 4.8284 4.7601 PRESSURE: 1945200 -84.8808 -6.37158 189.434 -6.37186 176.012 -116.562 189.435 -116.562 79.2946 GPRESSURE: 1945200 -7.30173 50.057 102.252 -5.53197 163.575 -136.86 85.8184 -56.7531 116.394 PRESSAVG: 1945200 -1.18413 6.82532 -10.2423 6.82536 8.32335 -43.8627 -10.2423 -43.8627 11.1971 GPRESSAVG: 1945200 -1.6563 8.18677 -9.29981 6.55387 8.38263 -42.391 -12.4514 -44.5244 11.6698 TIMING: 1945200 CPU: 6149.37, 0.00315529/step Wall: 6149.37, 0.00315529/step, 2.67744 hours remaining, 235.804688 MB of memory in use. ENERGY: 1945200 3947.1444 20333.1352 14586.4695 251.8416 -203404.6901 2754.7002 0.0000 0.0000 52056.7484 -109474.6507 299.1708 -161531.3991 -109109.3014 300.0272 56.8085 90.8888 761676.0963 6.1121 6.1321 PRESSURE: 1945400 -105.261 -129.039 -106.046 -129.039 202.64 123.23 -106.047 123.229 449.328 GPRESSURE: 1945400 32.8375 -95.9872 48.6843 -196.18 187.274 83.4843 -172.549 28.1699 400.858 PRESSAVG: 1945400 -31.7451 -1.2715 -35.4059 -1.27152 68.0547 -106.35 -35.4058 -106.35 7.22262 GPRESSAVG: 1945400 -30.1779 -2.33972 -36.4642 -1.84919 67.6786 -107.407 -33.9372 -106.582 6.13882 TIMING: 1945400 CPU: 6150, 0.00315624/step Wall: 6150, 0.00315625/step, 2.67807 hours remaining, 235.804688 MB of memory in use. ENERGY: 1945400 3997.9324 20354.4942 14501.6952 279.3083 -203553.5119 2778.0762 0.0000 0.0000 52209.9239 -109432.0817 300.0512 -161642.0056 -109066.1450 299.4011 182.2360 206.9898 760920.0585 14.5107 14.5465 PRESSURE: 1945600 -203.149 -90.3147 109.623 -90.3149 -91.5953 -236.918 109.623 -236.917 -372.607 GPRESSURE: 1945600 -217.982 -63.5528 203.962 -65.3495 -60.0105 -217.3 86.0434 -266.683 -297.887 PRESSAVG: 1945600 -33.0633 -41.9035 12.5199 -41.9036 60.1139 -13.2115 12.5198 -13.2115 -10.4031 GPRESSAVG: 1945600 -34.2342 -42.7596 14.4284 -41.2723 60.8628 -12.1124 12.3312 -15.1206 -10.0111 TIMING: 1945600 CPU: 6150.63, 0.00315531/step Wall: 6150.63, 0.00315531/step, 2.6771 hours remaining, 235.804688 MB of memory in use. ENERGY: 1945600 3947.1521 20546.5308 14526.0952 255.3403 -203837.1748 2941.2845 0.0000 0.0000 52063.3929 -109557.3790 299.2090 -161620.7719 -109202.7064 299.3189 -222.4506 -191.9596 763023.7374 5.5491 5.5392 PRESSURE: 1945800 -156.429 44.3064 -195.033 44.3066 -81.2623 -54.9616 -195.032 -54.963 14.5371 GPRESSURE: 1945800 -115.893 236.705 -197.467 -64.5314 -125.764 -90.7025 -91.6771 10.7423 78.1189 PRESSAVG: 1945800 33.8573 -24.9578 17.4698 -24.9578 -25.7288 5.20686 17.4698 5.20686 10.6758 GPRESSAVG: 1945800 35.1765 -23.263 15.9097 -26.8437 -27.3252 4.08731 17.2314 7.10598 11.3402 TIMING: 1945800 CPU: 6151.26, 0.00315301/step Wall: 6151.26, 0.00315301/step, 2.67498 hours remaining, 235.804688 MB of memory in use. ENERGY: 1945800 4048.7143 20611.3393 14463.7736 236.5264 -203257.6204 2651.4809 0.0000 0.0000 51906.6371 -109339.1489 298.3082 -161245.7859 -108977.8630 298.8786 -74.3847 -54.5128 762302.6851 6.2681 6.3972 PRESSURE: 1946000 233.599 106.247 -81.5758 106.247 -48.7632 132.9 -81.577 132.899 -117.938 GPRESSURE: 1946000 199.629 -52.4397 -73.6258 32.872 -15.5082 126.898 -110.152 5.56948 -19.3847 PRESSAVG: 1946000 24.5107 16.6076 -14.3823 16.6075 5.3743 4.96505 -14.3823 4.96507 -15.4869 GPRESSAVG: 1946000 23.4759 15.5588 -14.7606 18.3871 7.48185 6.73655 -13.9458 2.63442 -16.7507 TIMING: 1946000 CPU: 6151.89, 0.00314327/step Wall: 6151.89, 0.00314327/step, 2.66654 hours remaining, 235.804688 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: 1946000 4002.1324 20602.3427 14479.0219 233.2643 -203535.4312 2932.6650 0.0000 0.0000 52066.8265 -109219.1783 299.2288 -161286.0048 -108855.7784 299.1643 22.2995 54.9121 764016.0812 4.7994 4.7357 PRESSURE: 1946200 -282.061 -131.672 137.315 -131.672 -368.547 -199.013 137.315 -199.012 530.961 GPRESSURE: 1946200 -275.879 -162.429 157.768 -174.645 -289.991 -179.294 151.442 -62.4994 552.609 PRESSAVG: 1946200 12.0274 -10.8899 24.1923 -10.8898 -21.0079 46.0428 24.1923 46.0429 27.4358 GPRESSAVG: 1946200 12.1926 -11.2469 25.426 -9.38971 -20.8796 44.2665 25.0081 47.9758 27.5736 TIMING: 1946200 CPU: 6152.52, 0.00314643/step Wall: 6152.52, 0.00314643/step, 2.66904 hours remaining, 235.804688 MB of memory in use. ENERGY: 1946200 4038.0386 20447.4514 14514.0743 244.8624 -203475.3106 2745.8256 0.0000 0.0000 52238.5628 -109246.4956 300.2157 -161485.0584 -108881.3725 299.4616 -39.8824 -4.4207 763435.7417 6.1518 6.2955 PRESSURE: 1946400 50.5502 -25.0082 192.681 -25.0088 -110.478 -91.8157 192.681 -91.816 -84.7258 GPRESSURE: 1946400 93.2584 -39.3238 91.713 -50.0922 -51.4968 -42.3765 176.223 -137.164 -109.372 PRESSAVG: 1946400 75.3802 -22.9547 3.57156 -22.9546 -53.9708 -32.8329 3.57153 -32.8329 0.772397 GPRESSAVG: 1946400 76.2155 -21.5273 2.79127 -26.9595 -56.4703 -32.4487 1.73383 -31.5072 2.12352 TIMING: 1946400 CPU: 6153.15, 0.00315835/step Wall: 6153.15, 0.00315835/step, 2.67898 hours remaining, 235.804688 MB of memory in use. ENERGY: 1946400 4005.0536 20578.7294 14518.1128 256.6987 -203324.1805 2676.2582 0.0000 0.0000 52060.7638 -109228.5639 299.1939 -161289.3277 -108863.3149 299.7026 -48.2179 -22.5368 761956.4198 7.3939 7.2896 PRESSURE: 1946600 -144.317 -91.293 137.123 -91.2925 -144.338 50.3983 137.123 50.3981 -297.809 GPRESSURE: 1946600 -163.84 -96.2769 117.264 -0.817102 -51.2313 121.575 216.861 25.547 -282.178 PRESSAVG: 1946600 36.1594 27.9028 29.2014 27.9028 -70.2671 -11.3462 29.2014 -11.3462 -0.344483 GPRESSAVG: 1946600 35.4363 25.8113 31.8217 33.3239 -68.6916 -10.0872 27.5778 -13.2689 -1.47888 TIMING: 1946600 CPU: 6153.78, 0.00314899/step Wall: 6153.78, 0.00314899/step, 2.67087 hours remaining, 235.804688 MB of memory in use. ENERGY: 1946600 3928.0803 20574.5035 14532.0883 255.9844 -203232.1076 2529.0890 0.0000 0.0000 52051.1340 -109361.2281 299.1386 -161412.3621 -108989.7434 299.3198 -195.4880 -165.7498 761509.4181 -11.4841 -11.5780 PRESSURE: 1946800 -107.081 9.12544 70.2804 9.1238 -181.754 1.13706 70.2802 1.13872 48.7352 GPRESSURE: 1946800 -17.156 -16.0063 -13.4242 -117.144 -191.712 105.672 13.8104 11.0886 53.6722 PRESSAVG: 1946800 9.2179 16.6399 -0.674436 16.6399 -24.023 2.91673 -0.674405 2.91673 -11.3568 GPRESSAVG: 1946800 10.6347 17.9459 -2.10561 12.6547 -25.3741 3.46631 0.86158 3.47726 -10.8158 TIMING: 1946800 CPU: 6154.41, 0.00313991/step Wall: 6154.41, 0.00313991/step, 2.66299 hours remaining, 235.804688 MB of memory in use. ENERGY: 1946800 3984.3797 20639.4636 14589.0026 250.3069 -203478.5472 2739.5382 0.0000 0.0000 51859.0491 -109416.8070 298.0347 -161275.8561 -109062.7089 299.1916 -80.0334 -51.7319 762267.3534 -8.7206 -8.5184 PRESSURE: 1947000 -135.884 38.54 -54.0597 38.5398 -166.918 6.33981 -54.0595 6.33904 -90.9846 GPRESSURE: 1947000 -171.074 -88.8576 -61.1505 -8.78488 -20.2328 -31.6104 -39.1077 -33.0576 -131.786 PRESSAVG: 1947000 -3.0244 37.3923 -13.7016 37.3923 5.57717 39.7915 -13.7017 39.7915 -22.3036 GPRESSAVG: 1947000 -3.83287 36.5647 -14.2781 38.6278 6.05325 38.5394 -10.7239 40.0737 -22.1168 TIMING: 1947000 CPU: 6155.03, 0.00312738/step Wall: 6155.03, 0.00312738/step, 2.6522 hours remaining, 235.804688 MB of memory in use. ENERGY: 1947000 3938.6246 20577.7827 14522.3928 261.4691 -203367.6350 2532.9561 0.0000 0.0000 52247.5546 -109286.8551 300.2674 -161534.4098 -108919.0016 299.3264 -131.2624 -107.6973 761800.9579 -6.5836 -6.6321 PRESSURE: 1947200 63.7346 117.628 6.98455 117.628 -425.246 -4.67826 6.98411 -4.67881 152.776 GPRESSURE: 1947200 87.9646 117.38 2.72469 15.6587 -332.55 -44.7598 93.4261 8.29999 113.475 PRESSAVG: 1947200 -30.8073 20.7776 -32.6446 20.7776 6.28437 -17.8537 -32.6447 -17.8537 -3.41916 GPRESSAVG: 1947200 -31.0257 21.4452 -33.6403 20.0974 6.50098 -16.6492 -34.0091 -17.9426 -3.53931 TIMING: 1947200 CPU: 6155.66, 0.00314303/step Wall: 6155.66, 0.00314303/step, 2.66529 hours remaining, 235.804688 MB of memory in use. ENERGY: 1947200 3994.6235 20580.0249 14550.7649 275.2940 -203664.2631 2882.3717 0.0000 0.0000 52015.9609 -109365.2232 298.9364 -161381.1841 -109017.3603 299.3281 -69.5785 -43.7034 762592.9353 -9.3140 -9.3547 PRESSURE: 1947400 215.179 -50.0462 12.796 -50.0462 -10.0316 -78.2217 12.7956 -78.2215 241.233 GPRESSURE: 1947400 163.147 -84.3605 -107.876 49.6451 64.5236 -161.564 -14.2058 -100.927 301.289 PRESSAVG: 1947400 8.07301 8.58083 -21.0729 8.58082 14.6615 16.6722 -21.0728 16.6722 37.7082 GPRESSAVG: 1947400 7.29254 9.11476 -19.5197 7.62023 15.1483 15.1503 -20.4026 16.7581 38.1195 TIMING: 1947400 CPU: 6156.29, 0.00314622/step Wall: 6156.29, 0.00314622/step, 2.66782 hours remaining, 235.804688 MB of memory in use. ENERGY: 1947400 3931.3737 20530.0534 14611.3342 256.0418 -203353.0337 2821.0577 0.0000 0.0000 52101.0692 -109102.1036 299.4256 -161203.1729 -108733.4201 299.8119 148.7937 176.3200 762062.0318 20.1476 20.1868 PRESSURE: 1947600 -87.5176 26.6024 46.6352 26.6036 -465.114 238.299 46.6351 238.299 -128.182 GPRESSURE: 1947600 -63.2298 3.90781 23.3764 120.662 -359.399 186.499 7.51276 160.073 -166.752 PRESSAVG: 1947600 -13.8155 -13.4544 2.13291 -13.4544 1.67473 -52.781 2.13285 -52.7811 9.93901 GPRESSAVG: 1947600 -13.2149 -13.0988 3.64014 -10.1649 1.55429 -52.9083 0.768502 -54.503 9.73965 TIMING: 1947600 CPU: 6156.92, 0.0031524/step Wall: 6156.92, 0.0031524/step, 2.67288 hours remaining, 235.804688 MB of memory in use. ENERGY: 1947600 4092.3455 20490.4834 14526.4127 254.2000 -203237.9169 2589.9392 0.0000 0.0000 52257.9088 -109026.6273 300.3269 -161284.5361 -108666.3770 300.1907 -226.9378 -196.4601 763139.2876 -0.7339 -0.6403 PRESSURE: 1947800 350.198 300.468 -72.2289 300.468 368.597 5.17089 -72.2281 5.17214 -95.6321 GPRESSURE: 1947800 382.422 317.803 -102.659 358.639 406.056 9.69598 34.8989 135.561 -51.4712 PRESSAVG: 1947800 34.7642 67.1557 50.6598 67.1557 -30.6598 -15.6509 50.6598 -15.6509 -23.9534 GPRESSAVG: 1947800 35.4723 67.2 48.9402 64.7869 -30.7616 -15.2615 52.1225 -13.2279 -24.2375 TIMING: 1947800 CPU: 6157.55, 0.00315888/step Wall: 6157.55, 0.00315888/step, 2.67821 hours remaining, 235.804688 MB of memory in use. ENERGY: 1947800 3988.5696 20442.5416 14538.6357 255.5278 -203495.0963 2917.8623 0.0000 0.0000 52257.1195 -109094.8399 300.3224 -161351.9593 -108734.9908 300.0423 207.7210 245.6690 761368.1345 -6.6163 -6.5089 PRESSURE: 1948000 -289.895 62.4903 -1.56201 62.4903 48.6374 240.257 -1.56252 240.258 167.222 GPRESSURE: 1948000 -183.547 80.691 36.1851 101.525 115.44 172.476 31.8314 185.658 87.6579 PRESSAVG: 1948000 28.7079 32.6658 -17.8309 32.6658 -24.1945 30.7542 -17.8309 30.7542 2.03613 GPRESSAVG: 1948000 27.5699 32.2831 -17.8315 31.9725 -24.6122 32.0288 -18.4244 28.8155 2.72659 TIMING: 1948000 CPU: 6158.18, 0.00312701/step Wall: 6158.18, 0.00312701/step, 2.65101 hours remaining, 235.804688 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: 1948000 4045.2930 20575.4209 14564.0155 261.1949 -203297.8061 2627.0368 0.0000 0.0000 52385.1391 -108839.7060 301.0581 -161224.8451 -108481.4673 300.2619 -24.6785 6.5172 762343.2560 2.1832 1.8948 PRESSURE: 1948200 63.5147 133.314 -10.4659 133.314 -61.9269 -217.794 -10.4668 -217.794 -237.112 GPRESSURE: 1948200 65.3812 174.212 52.9489 -50.9523 42.5226 -211.689 29.4205 -359.03 -255.743 PRESSAVG: 1948200 31.982 12.6928 -10.8405 12.6928 -53.6626 -13.7061 -10.8405 -13.7061 10.8983 GPRESSAVG: 1948200 32.2132 13.7353 -12.4342 14.0887 -52.3164 -15.3549 -10.0038 -12.5486 9.54254 TIMING: 1948200 CPU: 6158.81, 0.00316745/step Wall: 6158.81, 0.00316745/step, 2.68512 hours remaining, 235.804688 MB of memory in use. ENERGY: 1948200 3997.8917 20771.2939 14513.6995 265.1049 -203079.5276 2252.9999 0.0000 0.0000 52413.3126 -108865.2251 301.2200 -161278.5378 -108502.7105 300.5754 -78.5080 -49.2798 761339.0028 -3.5941 -3.5202 LDB: ============= START OF LOAD BALANCING ============== 6171.35 LDB: ============== END OF LOAD BALANCING =============== 6171.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6171.35 LDB: ============= START OF LOAD BALANCING ============== 6171.67 LDB: Largest compute 7043 load 0.028890 is 14.8% of average load 0.195549 LDB: Average compute 0.004365 is 2.2% of average load 0.195549 LDB: TIME 6171.67 LOAD: AVG 0.195549 MAX 0.216845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.617 MB LDB: TIME 6171.67 LOAD: AVG 0.195549 MAX 0.216845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: TIME 6171.67 LOAD: AVG 0.195549 MAX 0.216845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: ============== END OF LOAD BALANCING =============== 6171.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6171.68 PRESSURE: 1948400 -719.874 -60.8986 -72.2083 -60.8982 -160.368 63.1507 -72.2082 63.1507 -503.268 GPRESSURE: 1948400 -642.545 -42.6209 -10.8899 -92.0656 -228.368 99.2531 -120.648 64.8671 -434.266 PRESSAVG: 1948400 54.6544 7.24705 3.33611 7.24706 -32.4286 -15.7585 3.33615 -15.7585 5.21677 GPRESSAVG: 1948400 55.2471 6.97595 4.00401 6.39961 -35.2658 -14.7448 3.81155 -16.718 7.45628 TIMING: 1948400 CPU: 6159.46, 0.00323447/step Wall: 6159.46, 0.00323447/step, 2.74175 hours remaining, 237.707031 MB of memory in use. ENERGY: 1948400 4054.2471 20623.5844 14613.8467 242.0431 -203065.0755 2341.6247 0.0000 0.0000 52456.1824 -108733.5473 301.4664 -161189.7296 -108363.6923 300.7955 -461.1701 -435.0597 764096.6054 9.1475 9.1458 PRESSURE: 1948600 397.773 -67.0497 -32.7908 -67.0493 -194.305 15.6914 -32.7903 15.6913 -113.252 GPRESSURE: 1948600 342.749 19.1975 -48.3349 -43.2896 -118.723 6.97686 -11.9014 53.4417 -62.0618 PRESSAVG: 1948600 -20.3128 1.71483 17.6653 1.71484 -26.0002 6.91276 17.6653 6.91276 -13.3872 GPRESSAVG: 1948600 -19.6749 2.03742 18.554 0.0274608 -23.4644 5.36618 15.6111 7.90526 -16.368 TIMING: 1948600 CPU: 6160.09, 0.003147/step Wall: 6160.09, 0.003147/step, 2.66743 hours remaining, 237.910156 MB of memory in use. ENERGY: 1948600 4036.3589 20453.2003 14499.2382 242.3313 -203398.0363 2776.1982 0.0000 0.0000 52517.0723 -108873.6371 301.8163 -161390.7094 -108497.2683 300.2576 30.0717 53.9881 761287.6879 -19.9001 -19.8357 PRESSURE: 1948800 248.102 -30.4231 105.487 -30.423 -123.006 -68.4217 105.486 -68.4217 41.7209 GPRESSURE: 1948800 204.052 -32.231 93.7077 -101.502 -50.7295 -94.346 80.6603 -113.908 93.8074 PRESSAVG: 1948800 51.8835 19.9566 27.6103 19.9567 -67.5164 -82.3378 27.6104 -82.3378 4.7338 GPRESSAVG: 1948800 51.3711 18.7133 27.4195 21.9755 -68.9962 -81.2466 29.0364 -82.5147 6.68185 TIMING: 1948800 CPU: 6160.72, 0.0031515/step Wall: 6160.72, 0.0031515/step, 2.67107 hours remaining, 237.910156 MB of memory in use. ENERGY: 1948800 3936.9020 20613.3162 14462.8689 243.5212 -203533.1286 2817.2096 0.0000 0.0000 52521.5486 -108937.7620 301.8421 -161459.3106 -108578.6147 300.3737 55.6056 82.3767 762327.3736 -3.6330 -3.6478 PRESSURE: 1949000 265.302 -232.869 115.615 -232.869 253.572 155.463 115.614 155.463 328.625 GPRESSURE: 1949000 319.485 -73.7566 55.772 -234.743 301.915 167.944 64.9153 122.45 292.613 PRESSAVG: 1949000 31.1251 -38.9282 21.6578 -38.9283 -13.0946 -41.2561 21.6578 -41.2562 12.102 GPRESSAVG: 1949000 31.4774 -38.1378 23.0816 -38.6886 -13.4142 -40.7329 19.5953 -41.2525 12.1798 TIMING: 1949000 CPU: 6161.35, 0.00314118/step Wall: 6161.35, 0.00314118/step, 2.66215 hours remaining, 238.167969 MB of memory in use. ENERGY: 1949000 4026.3186 20576.4474 14531.6525 249.7617 -203334.9366 2811.2687 0.0000 0.0000 51962.0870 -109177.4007 298.6268 -161139.4877 -108815.2858 300.3580 282.4999 304.6710 761495.7067 10.0442 10.0810 PRESSURE: 1949200 -273.129 -247.723 -77.444 -247.723 -203.676 19.8541 -77.4436 19.8534 -109.69 GPRESSURE: 1949200 -225.541 -257.9 -128.981 -229.903 -223.168 142.41 46.6644 102.48 -61.3605 PRESSAVG: 1949200 10.7942 -59.4884 -2.55098 -59.4883 -55.8037 1.2987 -2.55106 1.29878 -0.488757 GPRESSAVG: 1949200 9.86269 -60.4462 -2.23702 -59.2029 -53.8062 0.406851 -3.00893 2.08772 -1.10859 TIMING: 1949200 CPU: 6161.98, 0.00314614/step Wall: 6161.98, 0.00314614/step, 2.66618 hours remaining, 238.167969 MB of memory in use. ENERGY: 1949200 4009.8851 20392.5869 14501.2872 242.3533 -203036.7003 2488.6839 0.0000 0.0000 52149.6768 -109252.2272 299.7049 -161401.9040 -108898.4069 299.0762 -195.4985 -170.0232 761773.0197 -15.1661 -15.0174 PRESSURE: 1949400 90.0236 100.263 -148.927 100.263 -365.34 156.687 -148.928 156.688 -382.503 GPRESSURE: 1949400 35.8221 102.066 -252.98 119.79 -264.719 192.64 -18.964 176.741 -335.133 PRESSAVG: 1949400 14.2872 -36.5114 -8.29819 -36.5114 40.5588 29.5368 -8.29821 29.5368 -8.84942 GPRESSAVG: 1949400 15.7319 -35.3683 -10.1878 -36.5847 38.251 28.4452 -6.98755 28.4129 -8.06895 TIMING: 1949400 CPU: 6162.61, 0.00314975/step Wall: 6162.61, 0.00314975/step, 2.66906 hours remaining, 238.167969 MB of memory in use. ENERGY: 1949400 3951.1794 20493.7788 14537.9289 249.6650 -203477.8443 2703.8004 0.0000 0.0000 52040.9212 -109500.5705 299.0799 -161541.4917 -109133.1302 299.0575 -219.2732 -188.0100 761938.6637 15.3322 15.3046 PRESSURE: 1949600 -55.4244 -46.2894 202.631 -46.2903 -8.48193 126.415 202.631 126.416 -132.121 GPRESSURE: 1949600 32.6209 -109.947 196.861 -116.418 16.8495 76.8161 -41.8761 112.318 -150.118 PRESSAVG: 1949600 27.2058 -4.99667 11.9005 -4.99669 -43.2914 18.8278 11.9005 18.8279 -8.98218 GPRESSAVG: 1949600 25.9999 -5.58968 9.92677 -5.33118 -41.8832 20.5874 12.0284 18.7798 -9.12763 TIMING: 1949600 CPU: 6163.24, 0.00315728/step Wall: 6163.24, 0.00315728/step, 2.67527 hours remaining, 238.167969 MB of memory in use. ENERGY: 1949600 3980.9262 20590.7399 14495.2048 255.2508 -203564.7827 2840.3754 0.0000 0.0000 51850.3455 -109551.9401 297.9846 -161402.2856 -109192.0201 298.5948 -65.3425 -33.5492 761651.9296 -8.3559 -8.3370 PRESSURE: 1949800 -9.79177 -30.8621 19.5237 -30.862 -282.519 -5.35168 19.5239 -5.35362 26.1553 GPRESSURE: 1949800 -13.5337 7.35355 67.9628 64.3275 -147.004 -113.126 130.939 -3.48831 -13.3645 PRESSAVG: 1949800 -1.33649 20.752 9.45766 20.7521 19.3802 -37.8894 9.45762 -37.8894 -6.44279 GPRESSAVG: 1949800 -0.611256 20.1594 12.5346 22.1024 19.018 -39.1525 9.35524 -38.2093 -6.81753 TIMING: 1949800 CPU: 6163.87, 0.00313481/step Wall: 6163.87, 0.00313481/step, 2.65605 hours remaining, 238.167969 MB of memory in use. ENERGY: 1949800 4011.9861 20410.3449 14555.3859 246.1241 -203188.3528 2576.8343 0.0000 0.0000 51887.5939 -109500.0837 298.1987 -161387.6776 -109142.7206 298.8186 -88.7185 -57.9675 763294.8831 3.8670 3.8631 PRESSURE: 1950000 436.719 132.167 175.478 132.168 -40.9889 247.841 175.478 247.841 31.844 GPRESSURE: 1950000 510.382 138.365 156.987 145.376 -47.3235 276.273 225.206 168.646 40.0273 PRESSAVG: 1950000 67.302 65.8829 14.2988 65.8829 -65.6203 -3.89144 14.2989 -3.8913 -6.02046 GPRESSAVG: 1950000 66.9113 64.7855 13.1767 66.9387 -65.6843 -2.32397 16.4691 -3.19532 -5.9911 TIMING: 1950000 CPU: 6164.49, 0.00313386/step Wall: 6164.49, 0.00313386/step, 2.65508 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: 1950000 3936.1653 20552.1759 14490.9218 233.5947 -203588.5428 2916.3012 0.0000 0.0000 52057.1260 -109402.2579 299.1730 -161459.3839 -109042.5336 298.7671 142.5248 167.6954 763031.9704 -1.4463 -1.5880 PRESSURE: 1950200 -220.924 -413.525 -89.715 -413.526 349.183 109.932 -89.715 109.932 277.005 GPRESSURE: 1950200 -149.202 -279.035 -99.4709 -454.945 363.753 45.8872 -201.496 -18.0077 242.074 PRESSAVG: 1950200 61.9875 -15.6314 8.48302 -15.6315 -3.80434 -7.41494 8.48307 -7.41494 6.71757 GPRESSAVG: 1950200 61.5628 -15.0728 8.5738 -17.6137 -3.34997 -8.9705 4.86841 -11.3366 6.88032 TIMING: 1950200 CPU: 6165.12, 0.00314734/step Wall: 6165.12, 0.00314734/step, 2.66632 hours remaining, 238.167969 MB of memory in use. ENERGY: 1950200 3986.7902 20636.8773 14529.6536 247.8644 -203572.6170 3031.7480 0.0000 0.0000 51714.4884 -109425.1950 297.2039 -161139.6834 -109074.8263 299.3433 135.0878 152.2087 762672.5138 21.6336 21.6977 PRESSURE: 1950400 -261.311 52.9105 73.6667 52.9104 -16.6409 -173.905 73.6664 -173.906 444.128 GPRESSURE: 1950400 -170.642 62.5204 19.8616 147.303 -49.5724 -129.593 34.4355 -186.439 457.467 PRESSAVG: 1950400 -3.78543 -28.4147 -18.7949 -28.4147 -43.1 -60.5844 -18.7948 -60.5844 -23.2784 GPRESSAVG: 1950400 -3.09405 -27.5346 -18.238 -28.7468 -42.9721 -60.8395 -16.6368 -58.8992 -23.8192 TIMING: 1950400 CPU: 6165.75, 0.00313738/step Wall: 6165.75, 0.00313738/step, 2.65771 hours remaining, 238.167969 MB of memory in use. ENERGY: 1950400 3938.4752 20519.1656 14524.2157 264.8104 -203265.3649 2783.0860 0.0000 0.0000 51848.7409 -109386.8712 297.9754 -161235.6121 -109019.4346 298.8003 55.3922 79.0842 762596.6444 -23.3880 -23.2951 PRESSURE: 1950600 16.0099 109.107 -47.3577 109.106 7.78388 13.4152 -47.3577 13.4155 190.251 GPRESSURE: 1950600 15.7466 32.2287 -97.3032 -16.4424 44.287 -25.5476 -49.0682 18.3236 239.358 PRESSAVG: 1950600 -92.6221 2.06353 14.2762 2.06345 10.7495 -39.9032 14.2762 -39.9032 0.807807 GPRESSAVG: 1950600 -90.4439 1.01585 13.8981 2.12516 9.77036 -39.2997 13.8164 -38.5208 0.363167 TIMING: 1950600 CPU: 6166.38, 0.00313651/step Wall: 6166.38, 0.00313651/step, 2.6568 hours remaining, 238.167969 MB of memory in use. ENERGY: 1950600 4024.8546 20459.7749 14452.7746 255.8455 -203286.2937 2545.3889 0.0000 0.0000 52225.6149 -109322.0402 300.1413 -161547.6551 -108955.6480 299.0038 71.3482 99.7971 761733.6718 -27.0216 -26.7701 PRESSURE: 1950800 -133.553 78.8926 145.531 78.8923 69.6642 -33.3678 145.532 -33.3675 270.574 GPRESSURE: 1950800 -74.2712 79.503 108.038 76.5975 191.695 75.4886 250.543 -47.9234 179.024 PRESSAVG: 1950800 -8.06994 11.5507 27.2269 11.5508 13.5559 -18.5473 27.227 -18.5474 -1.31912 GPRESSAVG: 1950800 -10.0752 12.7328 26.4153 11.1451 15.0053 -18.3041 27.7862 -18.4612 -0.480182 TIMING: 1950800 CPU: 6167, 0.00314072/step Wall: 6167, 0.00314072/step, 2.66019 hours remaining, 238.167969 MB of memory in use. ENERGY: 1950800 3999.9029 20503.3291 14472.6851 257.5662 -203174.6968 2630.5486 0.0000 0.0000 52114.0123 -109196.6527 299.4999 -161310.6650 -108844.6759 298.9511 68.8951 98.8158 762349.9672 1.3890 1.4833 PRESSURE: 1951000 -112.561 163.436 -157.382 163.435 -42.0795 -43.8826 -157.382 -43.8821 58.5971 GPRESSURE: 1951000 -36.1712 188.066 -133.1 234.044 -56.3462 -72.9939 -87.8315 -52.2698 70.124 PRESSAVG: 1951000 -22.6602 -20.2419 6.43295 -20.2419 45.5393 3.16529 6.433 3.16526 -1.457 GPRESSAVG: 1951000 -22.3224 -20.2025 7.47301 -20.6177 45.3329 2.8964 6.47988 2.69529 -1.82341 TIMING: 1951000 CPU: 6167.63, 0.00313896/step Wall: 6167.63, 0.00313896/step, 2.65853 hours remaining, 238.167969 MB of memory in use. ENERGY: 1951000 4048.2242 20400.8622 14529.8009 253.1845 -203562.3313 2876.5104 0.0000 0.0000 52124.4908 -109329.2582 299.5602 -161453.7490 -108965.8398 299.1094 -32.0143 -7.4645 762694.1827 7.1407 7.0624 PRESSURE: 1951200 -86.0653 -172.442 49.5352 -172.442 60.7889 135.452 49.5344 135.452 -131.548 GPRESSURE: 1951200 -22.3065 -192.659 -40.5542 -177.827 91.9568 49.0783 81.9199 99.2499 -149.043 PRESSAVG: 1951200 -19.3435 -36.6211 24.0494 -36.6211 22.2802 -34.7832 24.0494 -34.7831 18.2349 GPRESSAVG: 1951200 -17.7848 -36.9593 23.9389 -36.5519 22.0617 -35.8293 23.8396 -31.8643 16.8637 TIMING: 1951200 CPU: 6168.26, 0.00313045/step Wall: 6168.26, 0.00313045/step, 2.65114 hours remaining, 238.167969 MB of memory in use. ENERGY: 1951200 4006.2080 20471.8518 14470.9253 251.8299 -203572.1777 3077.0899 0.0000 0.0000 52185.8977 -109108.3750 299.9131 -161294.2727 -108749.9608 299.1858 -52.2747 -26.4643 763240.5744 7.0572 7.0469 PRESSURE: 1951400 -66.2095 -43.6045 129.899 -43.6046 293.759 42.7927 129.899 42.7924 -103.188 GPRESSURE: 1951400 -111.439 -70.069 120.685 -28.7366 381.316 88.0242 151.61 -138.516 -56.0551 PRESSAVG: 1951400 49.9073 -12.4906 31.7232 -12.4906 -8.84806 -35.0482 31.7233 -35.0482 19.7145 GPRESSAVG: 1951400 48.5468 -12.6985 33.1563 -13.8362 -9.0955 -33.8645 31.9989 -37.4651 21.3427 TIMING: 1951400 CPU: 6168.89, 0.00314551/step Wall: 6168.89, 0.00314551/step, 2.66372 hours remaining, 238.167969 MB of memory in use. ENERGY: 1951400 3994.8683 20522.4831 14433.4932 258.0762 -203807.8919 2932.8489 0.0000 0.0000 52355.5639 -109310.5583 300.8881 -161666.1221 -108940.8900 299.3199 41.4538 71.2740 761457.5135 20.2579 20.2647 PRESSURE: 1951600 -148.772 148.927 -130.822 148.928 -96.7091 25.8943 -130.822 25.8949 -15.4052 GPRESSURE: 1951600 -185.339 130.15 -130.189 192.962 26.6234 26.0113 -24.9511 48.5133 -4.12341 PRESSAVG: 1951600 -5.3141 -2.96407 -9.57951 -2.96411 -1.94691 -8.15339 -9.57955 -8.15345 30.9441 GPRESSAVG: 1951600 -5.2587 -4.25467 -10.0508 -0.459877 -1.49881 -6.39081 -9.49126 -7.34211 30.819 TIMING: 1951600 CPU: 6169.52, 0.00315457/step Wall: 6169.52, 0.00315457/step, 2.67122 hours remaining, 238.167969 MB of memory in use. ENERGY: 1951600 4005.2060 20469.2838 14507.7380 253.0732 -203422.8674 2731.0802 0.0000 0.0000 52134.9267 -109321.5595 299.6201 -161456.4862 -108953.5603 299.4599 -86.9622 -54.2798 762232.1713 7.8944 8.0205 PRESSURE: 1951800 -4.59758 51.395 -110.418 51.3948 113.201 -309.988 -110.418 -309.989 -19.8456 GPRESSURE: 1951800 111.897 37.6337 -184.38 -17.2789 67.8738 -376.351 -67.5364 -192.743 5.98966 PRESSAVG: 1951800 -61.4179 -34.1184 7.77677 -34.1184 22.5108 -44.6766 7.77675 -44.6765 22.6031 GPRESSAVG: 1951800 -61.8238 -32.8053 8.00717 -35.1385 22.1736 -46.2598 8.63586 -43.7892 23.483 TIMING: 1951800 CPU: 6170.15, 0.00315192/step Wall: 6170.15, 0.00315192/step, 2.6688 hours remaining, 238.167969 MB of memory in use. ENERGY: 1951800 3984.1619 20530.9310 14534.5066 247.0194 -203621.8520 2679.4175 0.0000 0.0000 52060.9966 -109584.8190 299.1953 -161645.8156 -109223.2479 298.6775 29.5859 61.9201 762454.6053 -5.4347 -5.3891 PRESSURE: 1952000 89.116 -46.0338 168.485 -46.0334 -166.446 -9.77584 168.485 -9.77566 34.1458 GPRESSURE: 1952000 116.022 -121.612 69.3193 -133.409 -118.931 47.188 90.2945 -25.1856 50.8044 PRESSAVG: 1952000 0.219616 -51.3715 -38.8673 -51.3715 14.8987 -34.7706 -38.8673 -34.7706 3.79605 GPRESSAVG: 1952000 1.0473 -50.2595 -40.3287 -53.4677 15.2015 -34.0723 -41.7914 -36.256 2.88795 TIMING: 1952000 CPU: 6170.78, 0.003135/step Wall: 6170.78, 0.003135/step, 2.6543 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: 1952000 3998.8135 20543.2710 14533.4675 245.6211 -203579.6259 2659.3699 0.0000 0.0000 51938.0630 -109661.0200 298.4888 -161599.0830 -109310.4259 298.8002 -14.3949 15.9651 761269.2897 6.3048 6.3789 PRESSURE: 1952200 -172.387 -216.002 87.4141 -216.002 59.2061 -21.6376 87.414 -21.6372 -61.4376 GPRESSURE: 1952200 -174.858 -114.231 114.618 -207.733 108.796 -18.9145 -58.4662 -70.0599 -57.8076 PRESSAVG: 1952200 4.0229 -10.7141 -33.8159 -10.7141 -29.0013 18.3326 -33.8159 18.3326 -3.12928 GPRESSAVG: 1952200 3.70063 -10.4847 -34.835 -8.83214 -28.2532 19.1414 -32.8168 17.1186 -3.5691 TIMING: 1952200 CPU: 6171.4, 0.00313963/step Wall: 6171.4, 0.00313963/step, 2.65804 hours remaining, 238.167969 MB of memory in use. ENERGY: 1952200 3987.7033 20477.3498 14514.0633 243.2411 -203523.4432 2628.4865 0.0000 0.0000 52102.8411 -109569.7581 299.4357 -161672.5992 -109206.5243 298.8316 -58.2061 -41.2900 762476.3302 -9.3692 -9.3739 LDB: ============= START OF LOAD BALANCING ============== 6183.94 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6183.94 LDB: =============== DONE WITH MIGRATION ================ 6183.94 LDB: ============= START OF LOAD BALANCING ============== 6184.25 LDB: Largest compute 7043 load 0.029652 is 15.2% of average load 0.195464 LDB: Average compute 0.004387 is 2.2% of average load 0.195464 LDB: TIME 6184.26 LOAD: AVG 0.195464 MAX 0.216805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 6184.26 LOAD: AVG 0.195464 MAX 0.216805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: TIME 6184.26 LOAD: AVG 0.195464 MAX 0.216805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.438 MB LDB: ============== END OF LOAD BALANCING =============== 6184.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6184.26 PRESSURE: 1952400 -124.005 -8.14027 139.076 -8.13981 -90.0768 72.4088 139.077 72.4092 -56.7626 GPRESSURE: 1952400 2.24028 36.7927 122.653 -47.0019 -35.1573 24.3332 127.975 72.783 -145.197 PRESSAVG: 1952400 -6.2553 -50.7971 -66.8296 -50.7971 15.9745 76.0499 -66.8296 76.0499 15.1018 GPRESSAVG: 1952400 -7.11307 -52.1087 -65.0133 -51.5129 16.5009 75.2472 -65.5966 75.8773 15.7227 TIMING: 1952400 CPU: 6172.05, 0.00321903/step Wall: 6172.05, 0.00321903/step, 2.72509 hours remaining, 237.265625 MB of memory in use. ENERGY: 1952400 3983.5918 20426.4816 14496.3107 251.3559 -203417.0508 2520.6635 0.0000 0.0000 52189.2297 -109549.4176 299.9322 -161738.6473 -109188.2103 299.0284 -90.2814 -59.3714 763351.1445 8.2737 8.3702 PRESSURE: 1952600 -71.9231 215.681 -150.862 215.679 21.8208 3.716 -150.862 3.71635 201.734 GPRESSURE: 1952600 -79.9211 248.199 -216.23 307.119 152.904 111.772 -162.975 -28.3111 164.805 PRESSAVG: 1952600 -34.8158 -45.1868 15.973 -45.1868 7.33514 67.3936 15.973 67.3936 13.8648 GPRESSAVG: 1952600 -34.5696 -45.1031 14.9945 -43.8884 6.54905 68.2898 17.2689 68.4906 14.265 TIMING: 1952600 CPU: 6172.68, 0.00314292/step Wall: 6172.68, 0.00314292/step, 2.66048 hours remaining, 237.335938 MB of memory in use. ENERGY: 1952600 4059.3419 20513.3894 14520.8031 253.0585 -203824.5476 2996.1438 0.0000 0.0000 52050.7698 -109431.0412 299.1365 -161481.8110 -109065.0380 299.1753 50.5439 79.2628 761464.7459 -4.5386 -4.5852 PRESSURE: 1952800 334.164 79.3069 175.843 79.3075 108.366 3.69091 175.843 3.69013 294.434 GPRESSURE: 1952800 287.653 19.4786 167.329 49.9995 199.072 -39.5616 147.275 -57.2599 331.419 PRESSAVG: 1952800 -55.9209 -50.9474 -12.8825 -50.9474 9.38015 8.59636 -12.8825 8.59645 7.27314 GPRESSAVG: 1952800 -55.2031 -49.3305 -12.3287 -52.976 8.62961 8.33879 -13.6167 6.77179 6.64767 TIMING: 1952800 CPU: 6173.31, 0.00315485/step Wall: 6173.31, 0.00315485/step, 2.6704 hours remaining, 237.335938 MB of memory in use. ENERGY: 1952800 4044.5523 20579.0001 14540.6528 249.3332 -203502.6656 2818.6080 0.0000 0.0000 52018.6681 -109251.8512 298.9520 -161270.5193 -108885.8271 299.3106 245.6545 272.7147 760789.4422 -13.0892 -13.3086 PRESSURE: 1953000 -362.642 -168.975 -42.8594 -168.975 -77.5635 201.118 -42.8581 201.119 -289.797 GPRESSURE: 1953000 -287.025 -32.2634 -20.1831 -167.784 -89.3267 214.405 -62.6124 178.604 -277.489 PRESSAVG: 1953000 14.0867 -15.6411 63.2662 -15.6412 -6.01541 2.11346 63.2662 2.11337 18.8209 GPRESSAVG: 1953000 14.3877 -17.3836 63.0668 -13.1178 -5.53018 2.69663 61.6755 2.57601 19.0011 TIMING: 1953000 CPU: 6173.94, 0.0031523/step Wall: 6173.94, 0.0031523/step, 2.66807 hours remaining, 237.335938 MB of memory in use. ENERGY: 1953000 4047.8721 20539.7390 14523.4455 245.1310 -203556.9658 2717.9557 0.0000 0.0000 52133.0782 -109349.7442 299.6095 -161482.8224 -108985.2099 299.5777 -243.3339 -217.9469 762850.0640 8.9641 9.2862 PRESSURE: 1953200 -9.64071 255.899 -0.220778 255.9 -199.189 18.7565 -0.220044 18.7564 357.23 GPRESSURE: 1953200 32.2935 254.709 -86.6151 292.002 -127.61 -7.92665 112.602 -1.40496 321.686 PRESSAVG: 1953200 11.1468 -29.6115 9.83357 -29.6115 -61.425 -56.7633 9.83353 -56.7632 -0.542903 GPRESSAVG: 1953200 10.728 -29.6663 10.3032 -28.8176 -61.2021 -57.1088 9.17908 -55.3341 -0.166802 TIMING: 1953200 CPU: 6174.57, 0.00314669/step Wall: 6174.57, 0.00314669/step, 2.66315 hours remaining, 237.335938 MB of memory in use. ENERGY: 1953200 3945.0577 20582.5235 14491.4992 250.2884 -203705.2653 3036.0698 0.0000 0.0000 52104.6231 -109295.2034 299.4460 -161399.8266 -108931.6681 299.0190 49.4669 75.4563 761687.6815 -16.9404 -16.8803 PRESSURE: 1953400 144.169 91.2177 -67.7493 91.218 251.001 -2.0854 -67.7493 -2.08514 -13.7206 GPRESSURE: 1953400 185.97 57.6725 -104.548 115.314 250.948 -33.65 -17.5792 -168.678 13.4058 PRESSAVG: 1953400 39.1612 59.888 -3.13246 59.8881 -50.5426 -40.8837 -3.13249 -40.8837 3.3567 GPRESSAVG: 1953400 39.6599 60.2382 -3.4265 60.0238 -51.0518 -41.6129 -0.293349 -42.0393 3.7545 TIMING: 1953400 CPU: 6175.2, 0.0031579/step Wall: 6175.2, 0.0031579/step, 2.67246 hours remaining, 237.335938 MB of memory in use. ENERGY: 1953400 3945.2503 20594.7851 14435.2767 251.7269 -203444.4286 2905.6835 0.0000 0.0000 52162.3908 -109149.3153 299.7780 -161311.7061 -108790.0637 299.4825 127.1500 150.1079 761500.6987 -2.6749 -2.5458 PRESSURE: 1953600 335.554 36.8625 -271.912 36.8623 -143.12 -87.4051 -271.912 -87.4042 151.253 GPRESSURE: 1953600 283.817 10.6854 -219.508 -81.9414 -1.54107 -44.2531 -167.701 45.1825 140.352 PRESSAVG: 1953600 47.4479 13.7835 39.9635 13.7834 -10.9539 3.34064 39.9634 3.34076 -4.61577 GPRESSAVG: 1953600 47.7585 12.6416 39.7911 11.6954 -11.0811 3.92442 40.4173 5.85722 -4.34634 TIMING: 1953600 CPU: 6175.83, 0.00313939/step Wall: 6175.83, 0.00313939/step, 2.65663 hours remaining, 237.335938 MB of memory in use. ENERGY: 1953600 3904.3628 20429.7635 14460.1332 262.4541 -203137.0986 2542.8126 0.0000 0.0000 52460.9575 -109076.6150 301.4938 -161537.5724 -108713.0565 299.3078 114.5623 140.8762 761009.2113 10.6261 10.7770 PRESSURE: 1953800 47.9678 18.3937 -58.8517 18.3949 -5.36424 -0.52225 -58.851 -0.522957 -21.9311 GPRESSURE: 1953800 54.1344 31.7187 -21.4794 -9.54176 75.474 -27.2733 -61.7526 41.8832 -45.5944 PRESSAVG: 1953800 71.1689 -16.7878 20.7983 -16.7878 -33.3802 -28.5679 20.7983 -28.568 -13.9207 GPRESSAVG: 1953800 70.5987 -15.2099 21.5199 -17.2276 -33.3912 -28.2337 16.6676 -31.7946 -13.9659 TIMING: 1953800 CPU: 6176.45, 0.0031304/step Wall: 6176.45, 0.0031304/step, 2.64884 hours remaining, 237.335938 MB of memory in use. ENERGY: 1953800 4039.1517 20533.1255 14545.9435 244.2397 -203075.8409 2765.8917 0.0000 0.0000 51917.6501 -109029.8387 298.3714 -160947.4888 -108665.3555 300.4066 6.8908 28.0047 762734.2443 7.9560 7.7472 PRESSURE: 1954000 504.254 6.44917 177.191 6.44907 364.132 126.048 177.192 126.05 388.412 GPRESSURE: 1954000 497.382 -20.8827 99.8449 85.8233 429.741 99.631 18.396 151.88 406.518 PRESSAVG: 1954000 55.7416 6.85745 32.5494 6.85742 -14.9998 -24.1836 32.5494 -24.1836 7.32545 GPRESSAVG: 1954000 55.3223 7.85939 30.7693 4.53544 -14.9325 -25.8615 34.2697 -21.7476 7.10635 TIMING: 1954000 CPU: 6177.08, 0.00313787/step Wall: 6177.08, 0.00313787/step, 2.65499 hours remaining, 237.335938 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: 1954000 3973.1018 20625.6794 14480.2812 261.5691 -203182.7945 2704.7434 0.0000 0.0000 52246.8873 -108890.5324 300.2636 -161137.4196 -108524.0394 300.4400 418.9330 444.5470 761341.1249 16.0224 15.8321 PRESSURE: 1954200 -18.9139 22.611 -39.5698 22.6108 -87.2104 72.1549 -39.57 72.1542 -274.886 GPRESSURE: 1954200 1.22896 158.918 44.0124 -54.4241 -20.2453 54.4011 84.4089 75.0623 -276.157 PRESSAVG: 1954200 8.041 -1.45798 -31.1659 -1.45793 -51.1373 -40.5183 -31.1659 -40.5183 -0.544907 GPRESSAVG: 1954200 8.89286 -2.31507 -27.8535 1.63976 -51.6215 -39.6295 -30.5843 -42.524 -1.28338 TIMING: 1954200 CPU: 6177.71, 0.00314907/step Wall: 6177.71, 0.00314907/step, 2.66429 hours remaining, 237.335938 MB of memory in use. ENERGY: 1954200 4019.0504 20632.0158 14539.2092 253.5736 -203276.4788 2842.6815 0.0000 0.0000 52264.8349 -108725.1134 300.3667 -160989.9483 -108354.6049 300.6285 -127.0033 -98.3911 761981.8386 -14.5471 -14.6707 PRESSURE: 1954400 -113.209 160.512 -44.2919 160.512 190.628 -18.9487 -44.2923 -18.9492 170.524 GPRESSURE: 1954400 -72.1481 36.6052 -64.9738 92.483 247.341 -32.7971 20.0616 -53.1136 148.656 PRESSAVG: 1954400 -2.71269 -6.91585 -13.417 -6.91582 -5.91199 -25.7388 -13.417 -25.7388 -4.88275 GPRESSAVG: 1954400 -3.87102 -6.317 -15.3614 -7.21393 -5.6124 -24.2752 -12.824 -25.8209 -3.71121 TIMING: 1954400 CPU: 6178.34, 0.00314718/step Wall: 6178.34, 0.00314718/step, 2.66251 hours remaining, 237.335938 MB of memory in use. ENERGY: 1954400 4024.6894 20624.7003 14532.8830 245.8372 -202829.1760 2510.8357 0.0000 0.0000 52281.4085 -108608.8220 300.4620 -160890.2305 -108244.4074 300.6310 82.6477 107.9497 762993.1289 -4.5025 -4.3982 PRESSURE: 1954600 -182.841 125.4 225.577 125.399 -355.544 32.0339 225.576 32.0335 -64.6501 GPRESSURE: 1954600 -183.972 -9.6462 281.17 -23.0269 -340.402 7.07772 149.764 50.8683 11.6992 PRESSAVG: 1954600 3.3861 -29.7192 60.3037 -29.7192 -18.78 -13.0147 60.3037 -13.0148 -17.7484 GPRESSAVG: 1954600 4.90512 -30.5186 62.0296 -30.0976 -18.5876 -13.9359 58.4757 -13.3169 -19.0097 TIMING: 1954600 CPU: 6178.97, 0.00313844/step Wall: 6178.97, 0.00313843/step, 2.65494 hours remaining, 237.335938 MB of memory in use. ENERGY: 1954600 4015.8964 20570.5038 14533.3716 270.8457 -202389.2016 2245.5245 0.0000 0.0000 52045.5503 -108707.5093 299.1065 -160753.0596 -108344.8434 300.5781 -201.0117 -170.8915 762871.0031 -11.0475 -10.8974 PRESSURE: 1954800 -535.935 -36.2858 256.806 -36.2861 -32.902 -178.276 256.806 -178.276 86.4905 GPRESSURE: 1954800 -358.34 1.6431 266.409 -48.1767 -61.4704 -150.534 181.275 -214.097 44.7291 PRESSAVG: 1954800 -59.3846 -18.1386 1.87312 -18.1386 5.70433 16.0005 1.87311 16.0004 -4.18927 GPRESSAVG: 1954800 -60.0394 -17.1287 0.215219 -17.5754 5.90322 14.4121 3.2382 17.1119 -3.90774 TIMING: 1954800 CPU: 6179.6, 0.00314737/step Wall: 6179.6, 0.00314737/step, 2.66232 hours remaining, 237.335938 MB of memory in use. ENERGY: 1954800 4044.6209 20578.7422 14536.2231 277.0544 -203263.6947 2742.6466 0.0000 0.0000 52285.4453 -108798.9622 300.4852 -161084.4075 -108432.8856 300.3226 -160.7821 -125.0271 764290.7941 -19.2898 -19.3480 PRESSURE: 1955000 -329.251 -145.474 -3.49394 -145.474 69.972 -217.482 -3.4932 -217.483 205.989 GPRESSURE: 1955000 -271.904 -109.534 30.6326 -140.861 67.0792 -182.343 -60.8895 -194.316 243.78 PRESSAVG: 1955000 -29.3392 -6.13843 -8.85852 -6.13846 23.6383 26.4626 -8.85853 26.4626 -19.2728 GPRESSAVG: 1955000 -29.294 -6.05972 -9.2599 -6.48275 22.6595 29.1959 -6.12287 26.0641 -18.5514 TIMING: 1955000 CPU: 6180.23, 0.0031452/step Wall: 6180.23, 0.0031452/step, 2.66032 hours remaining, 237.335938 MB of memory in use. ENERGY: 1955000 4029.9112 20647.6041 14531.6163 241.6690 -202873.2995 2579.4158 0.0000 0.0000 52215.9252 -108627.1579 300.0856 -160843.0831 -108270.8619 300.3844 -17.7634 12.9850 762600.2116 -8.3246 -8.3953 PRESSURE: 1955200 -68.0438 -260.541 -171.841 -260.542 56.7672 -304.637 -171.84 -304.637 -261.005 GPRESSURE: 1955200 -47.5543 -202.691 -172.281 -334.825 57.4619 -196.979 -36.367 -169.066 -217.361 PRESSAVG: 1955200 -19.9364 -19.8048 8.82707 -19.8047 -7.7167 -2.04315 8.82708 -2.0432 -17.6463 GPRESSAVG: 1955200 -20.6311 -21.3663 10.0526 -20.6206 -5.93183 -3.02829 7.02616 -0.478676 -18.9151 TIMING: 1955200 CPU: 6180.86, 0.00315106/step Wall: 6180.86, 0.00315105/step, 2.66509 hours remaining, 237.335938 MB of memory in use. ENERGY: 1955200 4127.7296 20592.6268 14545.9967 258.3753 -203035.5291 2592.6418 0.0000 0.0000 52335.0561 -108583.1028 300.7703 -160918.1590 -108212.8854 300.1918 -90.7604 -69.1511 762744.4390 -15.0998 -15.1593 PRESSURE: 1955400 -272.176 51.035 61.5646 51.0356 -27.4987 -57.9171 61.5639 -57.9167 181.072 GPRESSURE: 1955400 -281.265 1.3518 123.395 85.2474 44.186 -119.043 55.4968 -107.146 194.45 PRESSAVG: 1955400 -78.417 -39.4875 37.2906 -39.4875 49.8873 14.6107 37.2906 14.6107 -15.6598 GPRESSAVG: 1955400 -78.1202 -39.3998 37.4876 -37.4926 48.4071 13.6205 35.9096 16.5169 -14.7342 TIMING: 1955400 CPU: 6181.49, 0.00315387/step Wall: 6181.49, 0.00315387/step, 2.6673 hours remaining, 237.335938 MB of memory in use. ENERGY: 1955400 4128.7384 20610.8850 14477.7439 243.6660 -203176.6024 2704.6342 0.0000 0.0000 52481.3420 -108529.5929 301.6110 -161010.9349 -108157.0271 300.5020 -39.5343 -14.2099 763194.8853 -14.7298 -14.8158 PRESSURE: 1955600 -321.339 201.06 -138.3 201.059 -33.7044 -207.306 -138.299 -207.305 -48.5605 GPRESSURE: 1955600 -244.495 151.746 -127.283 124.386 -106.331 -76.455 -92.8879 -170.494 31.4841 PRESSAVG: 1955600 -22.3635 12.4252 24.5214 12.4253 18.3922 -26.7861 24.5215 -26.7861 17.249 GPRESSAVG: 1955600 -22.5896 14.3022 24.624 11.4393 19.7061 -26.5562 25.7952 -26.5282 16.502 TIMING: 1955600 CPU: 6182.12, 0.00319032/step Wall: 6182.12, 0.00319032/step, 2.69794 hours remaining, 237.335938 MB of memory in use. ENERGY: 1955600 4072.5621 20734.9773 14577.6806 259.3198 -203014.3730 2390.7347 0.0000 0.0000 52339.0314 -108640.0671 300.7931 -160979.0985 -108282.7338 300.9822 -134.5345 -106.4473 762283.4324 4.4259 4.5395 PRESSURE: 1955800 -169.999 -101.818 -10.8517 -101.818 -67.0742 132.646 -10.8516 132.646 -385.671 GPRESSURE: 1955800 -191.021 -57.3695 -35.4598 -38.136 42.6166 85.4657 59.6906 129.746 -389.854 PRESSAVG: 1955800 -20.9275 39.8518 3.46256 39.8517 32.0105 -21.7152 3.46259 -21.7153 -3.46812 GPRESSAVG: 1955800 -20.1393 39.8085 2.29739 40.5178 31.3508 -20.8437 2.48346 -23.4971 -3.68589 TIMING: 1955800 CPU: 6182.76, 0.00317086/step Wall: 6182.76, 0.00317086/step, 2.68132 hours remaining, 237.335938 MB of memory in use. ENERGY: 1955800 4052.2086 20614.5786 14582.3874 247.7826 -203039.3773 2462.9606 0.0000 0.0000 52113.7830 -108965.6764 299.4986 -161079.4594 -108599.7530 300.4868 -207.5815 -179.4195 762315.7012 2.5383 2.5086 PRESSURE: 1956000 165.812 9.6623 -130.104 9.66282 -369.591 -260.939 -130.103 -260.94 -30.7149 GPRESSURE: 1956000 182.421 26.6524 -81.6093 -21.5913 -285.255 -286.77 -166.628 -253.359 -58.6576 PRESSAVG: 1956000 24.7683 -12.3262 -6.05697 -12.3262 8.67831 -21.143 -6.05695 -21.143 4.97126 GPRESSAVG: 1956000 24.815 -14.5176 -6.02095 -9.08205 7.24004 -22.1776 -5.47674 -21.447 6.08227 TIMING: 1956000 CPU: 6183.39, 0.00314185/step Wall: 6183.39, 0.00314185/step, 2.65661 hours remaining, 237.335938 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: 1956000 3950.0316 20673.9533 14581.0265 243.6906 -203336.2672 2668.0862 0.0000 0.0000 52302.4644 -108917.0146 300.5830 -161219.4790 -108543.4638 300.7656 -78.1645 -53.8304 761545.4585 12.8060 12.7124 PRESSURE: 1956200 -307.182 41.5861 -256.661 41.585 292.382 -146.215 -256.661 -146.215 -238.749 GPRESSURE: 1956200 -152.773 65.3509 -176.586 35.9564 290.156 -151.36 -425.126 -212.618 -302.426 PRESSAVG: 1956200 18.6783 12.0122 2.80505 12.0122 -21.5542 -8.52619 2.80503 -8.52614 25.6483 GPRESSAVG: 1956200 18.4298 14.0909 3.49401 8.83984 -19.7322 -7.06272 0.757265 -8.37063 24.0033 TIMING: 1956200 CPU: 6184.01, 0.00312844/step Wall: 6184.01, 0.00312844/step, 2.6451 hours remaining, 237.335938 MB of memory in use. ENERGY: 1956200 3972.4128 20637.5994 14533.2017 265.9864 -203458.9166 2827.3971 0.0000 0.0000 52321.2283 -108901.0910 300.6908 -161222.3193 -108534.4809 300.1125 -84.5164 -55.0145 762210.7705 7.5908 7.5670 LDB: ============= START OF LOAD BALANCING ============== 6196.54 LDB: ============== END OF LOAD BALANCING =============== 6196.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6196.55 LDB: ============= START OF LOAD BALANCING ============== 6196.86 LDB: Largest compute 6996 load 0.029359 is 15.0% of average load 0.195509 LDB: Average compute 0.004374 is 2.2% of average load 0.195509 LDB: TIME 6196.86 LOAD: AVG 0.195509 MAX 0.216799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.215 MB LDB: TIME 6196.86 LOAD: AVG 0.195509 MAX 0.216799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: TIME 6196.86 LOAD: AVG 0.195509 MAX 0.216799 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: ============== END OF LOAD BALANCING =============== 6196.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6196.87 PRESSURE: 1956400 39.1013 100.425 80.1507 100.425 89.1413 125.113 80.1511 125.113 130.854 GPRESSURE: 1956400 42.8253 151.434 118.714 78.5693 91.1877 146.138 -16.6881 115.399 194.923 PRESSAVG: 1956400 52.7173 43.0388 42.5692 43.0388 -61.7197 17.1102 42.5693 17.1102 15.5859 GPRESSAVG: 1956400 51.8581 42.6133 42.8945 43.8057 -61.3026 15.7994 43.3505 18.8138 16.4928 TIMING: 1956400 CPU: 6184.66, 0.00321044/step Wall: 6184.66, 0.00321044/step, 2.71424 hours remaining, 234.761719 MB of memory in use. ENERGY: 1956400 4013.1067 20496.8559 14578.1253 257.4027 -203385.5374 2845.3120 0.0000 0.0000 52100.0676 -109094.6671 299.4198 -161194.7347 -108735.2590 299.7445 86.3655 109.6453 764285.5731 2.1945 2.3495 PRESSURE: 1956600 -482.269 -24.2433 66.782 -24.2429 214.739 83.2629 66.7815 83.2629 197.117 GPRESSURE: 1956600 -400.995 -17.7287 115.015 21.6797 181.264 85.0885 44.8742 137.061 236.314 PRESSAVG: 1956600 -11.8013 -11.3168 52.0152 -11.3168 15.4312 -28.8277 52.0152 -28.8277 16.7496 GPRESSAVG: 1956600 -11.5083 -13.9471 50.1299 -10.661 14.5685 -29.3649 54.0577 -30.0611 17.3859 TIMING: 1956600 CPU: 6185.28, 0.00314077/step Wall: 6185.28, 0.00314077/step, 2.65517 hours remaining, 234.906250 MB of memory in use. ENERGY: 1956600 3921.6479 20753.4777 14477.8613 252.7717 -203132.0001 2602.4907 0.0000 0.0000 52339.6853 -108784.0656 300.7969 -161123.7508 -108434.5043 299.7538 -23.4708 5.5279 762690.8646 6.7932 6.8154 PRESSURE: 1956800 268.363 18.1897 -84.2839 18.1901 -149.441 -333.591 -84.2833 -333.59 297.426 GPRESSURE: 1956800 212.012 -98.4215 -130.606 37.4702 -56.7762 -369.053 31.7659 -274.873 317.447 PRESSAVG: 1956800 15.0547 -2.81096 6.93963 -2.81097 15.1205 -12.3893 6.93961 -12.3894 5.70484 GPRESSAVG: 1956800 14.5383 -0.00313682 8.0639 -4.08073 16.4596 -10.5155 7.28278 -11.7574 4.87748 TIMING: 1956800 CPU: 6185.91, 0.00314149/step Wall: 6185.91, 0.00314149/step, 2.65561 hours remaining, 234.906250 MB of memory in use. ENERGY: 1956800 3952.3767 20768.8955 14517.3366 244.9565 -203473.0172 2948.1550 0.0000 0.0000 52186.9384 -108854.3585 299.9191 -161041.2969 -108496.7741 300.7598 138.7827 157.5611 762561.0748 11.9600 11.9585 PRESSURE: 1957000 232.349 51.6697 -47.8761 51.6699 343.443 -123.269 -47.8766 -123.27 293.615 GPRESSURE: 1957000 256.833 150.407 -17.6296 -38.1167 368.003 -93.8261 -137.183 52.4045 312.055 PRESSAVG: 1957000 21.4932 -40.4041 9.58393 -40.404 -13.9648 -12.4948 9.5839 -12.4949 11.6594 GPRESSAVG: 1957000 21.8998 -41.6881 8.19684 -38.4682 -14.1602 -12.6292 7.72084 -14.0184 11.5055 TIMING: 1957000 CPU: 6186.54, 0.00315438/step Wall: 6186.54, 0.00315438/step, 2.66633 hours remaining, 234.906250 MB of memory in use. ENERGY: 1957000 3901.4517 20572.4181 14514.6177 236.5047 -202941.6537 2667.4264 0.0000 0.0000 52182.8325 -108866.4027 299.8955 -161049.2352 -108497.1285 300.1719 289.8022 312.2974 762949.4316 6.3959 6.4150 PRESSURE: 1957200 -119.782 95.6445 -223.955 95.6446 -219.828 66.2009 -223.955 66.2007 80.5305 GPRESSURE: 1957200 -28.0119 121.361 -166.658 82.7095 -222.495 98.5346 -228.142 37.4922 78.1989 PRESSAVG: 1957200 28.3269 42.5528 7.57489 42.5528 -30.1827 -11.1686 7.57489 -11.1686 1.93392 GPRESSAVG: 1957200 30.1955 43.7963 9.73018 42.9787 -31.7305 -13.0961 8.87087 -9.75345 1.5248 TIMING: 1957200 CPU: 6187.17, 0.00315733/step Wall: 6187.17, 0.00315733/step, 2.66865 hours remaining, 234.906250 MB of memory in use. ENERGY: 1957200 4023.9862 20569.8370 14548.4733 237.9046 -203326.2863 2664.3849 0.0000 0.0000 52393.6871 -108888.0130 301.1072 -161281.7002 -108517.8039 299.8043 -86.3598 -57.4362 763715.3257 0.0261 -0.0034 PRESSURE: 1957400 42.3137 209.482 8.90054 209.482 -169.95 -246.16 8.90078 -246.16 -256.319 GPRESSURE: 1957400 122.673 143.096 -12.2771 246.349 -175.565 -271.269 -19.8688 -412.422 -224.248 PRESSAVG: 1957400 -19.2562 48.8151 1.65102 48.8151 2.1038 2.89112 1.65101 2.8912 -7.69868 GPRESSAVG: 1957400 -19.8914 49.8104 0.100412 47.4113 3.34528 3.63973 0.861812 3.36645 -8.06857 TIMING: 1957400 CPU: 6187.8, 0.00315047/step Wall: 6187.8, 0.00315047/step, 2.66267 hours remaining, 234.906250 MB of memory in use. ENERGY: 1957400 4123.7845 20515.4482 14479.9277 238.3925 -203051.9374 2586.1667 0.0000 0.0000 52253.2963 -108854.9216 300.3004 -161108.2179 -108493.8206 300.0316 -127.9848 -92.3798 763238.8692 -8.2837 -8.2049 PRESSURE: 1957600 276.131 -130.374 -84.3244 -130.375 440.482 104.947 -84.3232 104.946 -34.7407 GPRESSURE: 1957600 274.328 -266.125 -174.539 -100.127 436.393 186.616 -110.43 55.9538 60.1813 PRESSAVG: 1957600 10.6834 -4.0278 32.6123 -4.02779 51.3642 1.72985 32.6124 1.7299 4.74145 GPRESSAVG: 1957600 9.81979 -6.0689 32.9717 -3.42244 51.4471 3.26411 34.1183 0.675169 5.0727 TIMING: 1957600 CPU: 6188.44, 0.00316193/step Wall: 6188.44, 0.00316193/step, 2.67218 hours remaining, 234.906250 MB of memory in use. ENERGY: 1957600 3999.5552 20477.4812 14470.7483 260.2354 -203310.3840 2871.7923 0.0000 0.0000 52181.2967 -109049.2747 299.8866 -161230.5713 -108674.7051 299.7353 227.2908 256.9674 761946.6188 22.2630 22.1132 PRESSURE: 1957800 -61.3244 -187.45 196.69 -187.45 129.913 -166.723 196.691 -166.722 -36.7654 GPRESSURE: 1957800 15.7639 -192.353 208.189 -200.697 105.502 -82.7147 198.3 -112.285 -12.7934 PRESSAVG: 1957800 0.805973 2.3679 0.815875 2.36788 -8.32924 -0.511061 0.815867 -0.511101 -1.47574 GPRESSAVG: 1957800 1.26698 2.30331 0.0820405 0.529712 -9.17558 -0.507955 -0.0579462 -0.967364 -1.4978 TIMING: 1957800 CPU: 6189.07, 0.0031542/step Wall: 6189.07, 0.0031542/step, 2.66547 hours remaining, 235.109375 MB of memory in use. ENERGY: 1957800 3881.1958 20594.7466 14515.0502 229.1905 -203227.4677 2704.1674 0.0000 0.0000 52282.8665 -109020.2509 300.4704 -161303.1174 -108660.6456 299.5737 10.6077 36.1576 763181.3134 -2.9997 -3.1355 PRESSURE: 1958000 416.825 -50.3599 358.048 -50.3599 -69.4685 -262.066 358.049 -262.065 220.041 GPRESSURE: 1958000 397.533 -9.2286 384.035 -104.797 -20.1222 -263.975 198.421 -233.337 299.214 PRESSAVG: 1958000 42.3087 25.7415 13.3052 25.7416 -34.0758 -22.1791 13.3051 -22.1791 1.93524 GPRESSAVG: 1958000 41.1872 25.9329 14.7354 27.5764 -32.3381 -22.6662 13.2532 -20.8075 1.52911 TIMING: 1958000 CPU: 6189.7, 0.00316087/step Wall: 6189.7, 0.00316087/step, 2.67093 hours remaining, 235.109375 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: 1958000 4030.6347 20675.7544 14536.8164 245.5428 -203222.3956 2760.2050 0.0000 0.0000 52204.5510 -108768.8912 300.0203 -160973.4423 -108407.5130 299.9017 189.1323 225.5418 762489.5031 3.3894 3.4594 PRESSURE: 1958200 -87.1688 36.3509 140.831 36.3511 -5.50256 -145.023 140.831 -145.024 233.321 GPRESSURE: 1958200 -24.2764 -30.5636 128.252 80.4048 63.5873 -71.3671 64.9927 -136.627 179.651 PRESSAVG: 1958200 45.2871 39.687 -34.4523 39.687 -12.0705 -47.9626 -34.4523 -47.9626 6.25406 GPRESSAVG: 1958200 45.2914 39.2789 -34.8426 38.4572 -12.3756 -47.4709 -35.1515 -50.3177 6.55808 TIMING: 1958200 CPU: 6190.33, 0.00316553/step Wall: 6190.33, 0.00316553/step, 2.6747 hours remaining, 235.109375 MB of memory in use. ENERGY: 1958200 3986.5740 20581.0639 14540.7804 256.0506 -203331.4841 2675.6261 0.0000 0.0000 52347.5073 -108943.8819 300.8418 -161291.3892 -108583.0090 300.0520 46.8830 72.9871 762983.2891 13.1569 13.1580 PRESSURE: 1958400 415.124 248.985 71.8486 248.983 225.988 -37.7379 71.8491 -37.7378 234.464 GPRESSURE: 1958400 471.429 244.473 52.5747 213.394 299.731 -9.52832 137.303 -37.9936 197.714 PRESSAVG: 1958400 33.1087 43.7487 19.7308 43.7488 -2.31248 -42.9557 19.7309 -42.9557 8.39141 GPRESSAVG: 1958400 34.5294 43.0044 17.9959 45.3026 -3.72601 -43.61 20.299 -41.7708 9.14315 TIMING: 1958400 CPU: 6190.96, 0.00314482/step Wall: 6190.96, 0.00314482/step, 2.65702 hours remaining, 235.109375 MB of memory in use. ENERGY: 1958400 3970.2357 20404.3607 14472.2961 220.4858 -203153.7458 2813.0167 0.0000 0.0000 52297.0237 -108976.3271 300.5517 -161273.3508 -108607.6932 300.1867 291.8589 322.9581 763468.5345 13.0625 13.3155 PRESSURE: 1958600 333.458 -95.1381 -89.3369 -95.1381 238.847 -142.434 -89.3364 -142.433 -127.937 GPRESSURE: 1958600 298.755 1.14634 -128.341 -100.304 255.01 -97.9838 -12.6926 -211.842 -48.721 PRESSAVG: 1958600 29.4194 -8.53475 10.1122 -8.53473 -25.9163 -19.9809 10.1122 -19.9809 9.41103 GPRESSAVG: 1958600 29.1132 -8.08975 11.0572 -11.0878 -25.5551 -19.8443 11.4047 -20.3882 8.53177 TIMING: 1958600 CPU: 6191.59, 0.00313719/step Wall: 6191.59, 0.00313719/step, 2.6504 hours remaining, 235.109375 MB of memory in use. ENERGY: 1958600 4026.5710 20526.7938 14549.2840 254.3059 -203257.5922 2585.9228 0.0000 0.0000 52154.4412 -109160.2733 299.7323 -161314.7145 -108799.4820 299.6052 148.1225 168.3478 763037.9480 4.3047 4.0300 PRESSURE: 1958800 145.607 -90.7588 92.6808 -90.7581 -24.6949 75.315 92.681 75.315 157.417 GPRESSURE: 1958800 199.245 -35.5377 92.3675 -78.1094 53.5283 10.3237 36.3263 193.697 110.7 PRESSAVG: 1958800 41.0346 -59.274 -26.4575 -59.274 4.67499 -1.67579 -26.4575 -1.67585 8.1227 GPRESSAVG: 1958800 39.7251 -59.5908 -28.3543 -56.7941 6.22911 -2.79411 -26.551 -0.255474 7.70509 TIMING: 1958800 CPU: 6192.21, 0.00312639/step Wall: 6192.21, 0.00312639/step, 2.6411 hours remaining, 235.109375 MB of memory in use. ENERGY: 1958800 3944.5043 20400.6350 14470.8976 241.1111 -203180.5750 2836.4780 0.0000 0.0000 51941.6451 -109345.3039 298.5093 -161286.9490 -108977.0839 299.3662 92.7764 121.1579 762872.8451 17.9441 17.8864 PRESSURE: 1959000 -344.331 127.267 26.6938 127.267 -135.016 -12.2888 26.6939 -12.2899 -16.08 GPRESSURE: 1959000 -262.902 56.8057 0.93478 41.5319 -124.687 -14.0831 12.0653 -126.938 -6.17419 PRESSAVG: 1959000 45.8079 7.104 -15.2399 7.10398 -0.544058 -2.66163 -15.2399 -2.66168 18.0926 GPRESSAVG: 1959000 46.698 7.17776 -14.0395 6.67918 -2.32668 -0.781563 -16.8004 -2.86309 19.1865 TIMING: 1959000 CPU: 6192.84, 0.00314172/step Wall: 6192.84, 0.00314172/step, 2.65388 hours remaining, 235.109375 MB of memory in use. ENERGY: 1959000 3967.8687 20602.3866 14509.9011 226.1050 -203203.5563 2488.9967 0.0000 0.0000 52050.9564 -109357.3418 299.1376 -161408.2983 -108993.0851 298.7450 -165.1423 -131.2545 764768.9744 21.1188 21.1859 PRESSURE: 1959200 -305.991 -31.0433 439.524 -31.0431 88.3813 141.822 439.524 141.823 172.936 GPRESSURE: 1959200 -244.248 -34.9048 365.304 48.1221 68.7033 153.079 382.481 116.837 194.137 PRESSAVG: 1959200 -22.4771 29.0257 45.1262 29.0257 37.6039 24.0729 45.1262 24.073 4.96541 GPRESSAVG: 1959200 -22.0515 30.447 45.2143 29.0271 37.9431 24.2727 44.8413 23.4343 4.17013 TIMING: 1959200 CPU: 6193.47, 0.0031462/step Wall: 6193.47, 0.0031462/step, 2.65749 hours remaining, 235.109375 MB of memory in use. ENERGY: 1959200 4000.3875 20511.5615 14500.8692 247.5838 -203259.7316 2516.9291 0.0000 0.0000 51967.7580 -109514.6425 298.6594 -161482.4005 -109151.7731 298.7419 -14.8910 6.1974 762184.9756 6.6974 6.6872 PRESSURE: 1959400 -256.838 51.3777 -149.282 51.3781 -379.619 -61.6239 -149.282 -61.6249 -188.482 GPRESSURE: 1959400 -299.476 13.942 -144.725 29.6166 -293.232 -21.0246 -124.231 -170.314 -163.63 PRESSAVG: 1959400 -10.3048 -43.5087 -32.9548 -43.5087 30.7366 19.5303 -32.9548 19.5304 -1.10624 GPRESSAVG: 1959400 -11.2815 -44.1314 -33.3827 -45.4225 30.0953 18.042 -32.9282 18.8988 0.064585 TIMING: 1959400 CPU: 6194.1, 0.00315357/step Wall: 6194.1, 0.00315357/step, 2.66354 hours remaining, 235.109375 MB of memory in use. ENERGY: 1959400 4021.5799 20575.3684 14496.5216 236.3871 -203299.9189 2574.8996 0.0000 0.0000 51921.9868 -109473.1755 298.3964 -161395.1624 -109098.1488 298.9104 -274.9798 -252.1127 763187.1326 6.4419 6.2928 PRESSURE: 1959600 119.958 -236.226 -133.828 -236.226 -301.948 -270.62 -133.828 -270.619 49.4266 GPRESSURE: 1959600 145.004 -193.19 -201.698 -189.446 -253.611 -187.254 -18.6537 -246.106 78.7503 PRESSAVG: 1959600 42.3226 -14.3637 -30.848 -14.3637 -61.8727 4.24584 -30.8481 4.24591 10.0846 GPRESSAVG: 1959600 43.3342 -13.2194 -29.0902 -13.9732 -61.0233 4.62651 -31.3093 3.19374 8.89669 TIMING: 1959600 CPU: 6194.73, 0.00315772/step Wall: 6194.73, 0.00315772/step, 2.66687 hours remaining, 235.109375 MB of memory in use. ENERGY: 1959600 3905.4459 20513.3515 14496.4635 242.7431 -203336.8085 2584.6625 0.0000 0.0000 52070.1946 -109523.9474 299.2481 -161594.1420 -109160.0053 298.3973 -44.1880 -9.9523 763010.3054 -3.1552 -2.9308 PRESSURE: 1959800 264.497 -239.575 -205.471 -239.575 -64.3853 -374.333 -205.47 -374.332 268.923 GPRESSURE: 1959800 301.992 -96.7886 -163.56 -275.35 -45.9687 -322.954 -175.638 -359.268 283.871 PRESSAVG: 1959800 68.9893 -14.4676 -28.4886 -14.4676 -71.9015 -50.2784 -28.4886 -50.2784 -20.6845 GPRESSAVG: 1959800 68.5196 -16.7645 -29.0946 -12.9543 -71.2599 -49.6031 -28.4668 -48.0839 -20.2466 TIMING: 1959800 CPU: 6195.37, 0.00315643/step Wall: 6195.37, 0.00315643/step, 2.66561 hours remaining, 235.109375 MB of memory in use. ENERGY: 1959800 3848.4388 20617.0286 14507.0528 245.6872 -203336.3773 2624.4209 0.0000 0.0000 51935.9894 -109557.7597 298.4768 -161493.7491 -109196.1232 298.3248 156.3449 179.9648 762560.1439 -7.8656 -7.6623 PRESSURE: 1960000 98.7315 -85.1132 42.8414 -85.1132 -205.034 -23.0488 42.8408 -23.0486 -10.8742 GPRESSURE: 1960000 132.76 -94.9077 69.0313 -123.829 -190.148 -96.3172 -45.4123 48.1756 6.59737 PRESSAVG: 1960000 57.5005 0.813139 -2.98311 0.813163 -46.099 -44.8703 -2.98304 -44.8704 22.8435 GPRESSAVG: 1960000 56.5369 1.81215 -3.27892 -0.0955183 -45.4559 -46.591 -2.02235 -43.9415 22.7624 TIMING: 1960000 CPU: 6195.99, 0.00314445/step Wall: 6195.99, 0.00314445/step, 2.65531 hours remaining, 235.109375 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: 1960000 3964.2024 20556.6751 14499.9729 258.1601 -203259.4598 2697.3602 0.0000 0.0000 51958.3449 -109324.7443 298.6053 -161283.0892 -108959.0766 298.0312 -39.0591 -16.9302 762228.6070 11.4150 11.2811 PRESSURE: 1960200 69.408 110.11 -81.2402 110.11 -427.729 173.013 -81.2407 173.013 -256.755 GPRESSURE: 1960200 66.1333 162.152 -194.972 235.573 -368.366 149.404 -9.58214 98.5906 -225.103 PRESSAVG: 1960200 -27.446 5.3597 11.5112 5.35976 -35.2891 3.40096 11.5112 3.40099 9.84088 GPRESSAVG: 1960200 -26.8223 5.32579 11.075 6.65358 -36.5694 4.40048 11.7202 2.73324 10.5868 TIMING: 1960200 CPU: 6196.63, 0.00315478/step Wall: 6196.63, 0.00315478/step, 2.66386 hours remaining, 235.109375 MB of memory in use. ENERGY: 1960200 3988.1809 20413.1665 14527.8243 265.0537 -202902.3046 2489.5807 0.0000 0.0000 51754.4257 -109464.0728 297.4334 -161218.4985 -109100.6822 298.4012 -205.0251 -175.7786 762807.5938 -17.6314 -17.6016 LDB: ============= START OF LOAD BALANCING ============== 6209.16 LDB: ============== END OF LOAD BALANCING =============== 6209.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6209.16 LDB: ============= START OF LOAD BALANCING ============== 6209.48 LDB: Largest compute 7042 load 0.028438 is 14.5% of average load 0.195520 LDB: Average compute 0.004385 is 2.2% of average load 0.195520 LDB: TIME 6209.48 LOAD: AVG 0.19552 MAX 0.217689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.215 MB LDB: TIME 6209.48 LOAD: AVG 0.19552 MAX 0.217689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: TIME 6209.48 LOAD: AVG 0.19552 MAX 0.217689 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.215 MB LDB: ============== END OF LOAD BALANCING =============== 6209.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6209.49 PRESSURE: 1960400 178.116 -197.896 15.821 -197.896 38.2386 -168.712 15.8212 -168.712 751.527 GPRESSURE: 1960400 223.216 -139.273 39.7696 -153.036 37.7387 -191.286 10.8187 -186.866 792.609 PRESSAVG: 1960400 36.7025 74.9567 -17.9884 74.9567 -28.5911 -47.2984 -17.9884 -47.2984 -35.0083 GPRESSAVG: 1960400 35.2891 73.8688 -16.9653 75.3723 -28.1207 -47.6089 -17.6689 -48.6258 -34.3765 TIMING: 1960400 CPU: 6197.27, 0.00322231/step Wall: 6197.27, 0.00322231/step, 2.72071 hours remaining, 237.277344 MB of memory in use. ENERGY: 1960400 4029.2963 20360.4546 14364.0704 235.3566 -203502.2117 2744.7922 0.0000 0.0000 52077.8145 -109690.4271 299.2919 -161768.2416 -109330.0037 298.4649 322.6275 351.1878 760797.1714 -8.9656 -9.0694 PRESSURE: 1960600 221.212 140.648 -198.905 140.647 23.4576 -13.9532 -198.905 -13.9526 -73.1176 GPRESSURE: 1960600 335.138 98.0198 -235.441 55.4131 -60.7801 -40.6263 -122.602 -38.913 -16.3556 PRESSAVG: 1960600 39.4863 7.42598 -19.8895 7.42594 -4.79184 -51.5079 -19.8895 -51.508 23.2558 GPRESSAVG: 1960600 40.853 9.02141 -19.2149 6.39619 -5.29035 -50.0259 -18.78 -52.0018 22.3671 TIMING: 1960600 CPU: 6197.9, 0.00316341/step Wall: 6197.9, 0.00316341/step, 2.6708 hours remaining, 237.398438 MB of memory in use. ENERGY: 1960600 3954.9022 20534.2439 14457.7876 270.5041 -203465.6872 2718.6897 0.0000 0.0000 51996.8460 -109532.7136 298.8266 -161529.5596 -109178.0399 298.8046 57.1838 86.0008 761784.5835 19.3168 19.3099 PRESSURE: 1960800 77.7742 -303.903 -251.633 -303.904 -29.9671 27.402 -251.632 27.4012 221.113 GPRESSURE: 1960800 69.0556 -262.407 -187.013 -364.326 121.279 43.0856 -249.619 55.7413 153.315 PRESSAVG: 1960800 44.3352 -0.297475 40.9213 -0.29756 -65.2263 10.0904 40.9213 10.0905 -4.84573 GPRESSAVG: 1960800 45.1535 -1.30289 40.2667 -0.995953 -66.1553 9.69911 36.7627 10.5737 -4.86735 TIMING: 1960800 CPU: 6198.53, 0.00315126/step Wall: 6198.53, 0.00315126/step, 2.66036 hours remaining, 237.398438 MB of memory in use. ENERGY: 1960800 3977.0626 20366.9059 14451.8588 244.7571 -203667.5665 2989.2907 0.0000 0.0000 52091.5964 -109546.0950 299.3711 -161637.6914 -109187.0813 298.4896 89.6399 114.5498 762003.9099 -8.5790 -8.6230 PRESSURE: 1961000 -53.9705 -71.8764 119.891 -71.8766 -362.01 160.524 119.892 160.523 -426.29 GPRESSURE: 1961000 -96.4811 -79.8056 107.95 -89.3019 -258.291 180.214 80.8616 71.3898 -416.605 PRESSAVG: 1961000 40.7551 12.9508 2.77073 12.9508 -75.6045 2.07541 2.77077 2.07544 -8.20522 GPRESSAVG: 1961000 40.0937 11.2017 3.26507 14.9867 -73.6317 -0.17055 4.4793 4.47479 -8.90592 TIMING: 1961000 CPU: 6199.16, 0.00314067/step Wall: 6199.16, 0.00314067/step, 2.65125 hours remaining, 237.601562 MB of memory in use. ENERGY: 1961000 3988.9063 20383.5714 14469.1452 255.8877 -203334.1208 2656.2796 0.0000 0.0000 52048.3826 -109531.9481 299.1228 -161580.3307 -109172.3663 298.3891 -280.7570 -257.1255 762159.2338 -14.3515 -14.1480 PRESSURE: 1961200 -125.177 163.723 -125.753 163.723 -193.052 -91.8219 -125.753 -91.8217 -285.272 GPRESSURE: 1961200 -24.2517 151.123 -128.37 215.248 -215.322 -74.0687 -143.312 -55.6095 -283.719 PRESSAVG: 1961200 52.7988 34.0711 5.95926 34.0712 -42.7768 -0.121678 5.95924 -0.121664 -10.617 GPRESSAVG: 1961200 53.5635 36.2045 4.18432 34.3532 -43.1548 1.15935 6.22276 -1.87583 -10.4271 TIMING: 1961200 CPU: 6199.79, 0.00312791/step Wall: 6199.79, 0.00312791/step, 2.6403 hours remaining, 237.601562 MB of memory in use. ENERGY: 1961200 3958.0518 20500.5993 14500.1682 246.3302 -202754.4510 2240.6246 0.0000 0.0000 51777.5137 -109531.1633 297.5661 -161308.6770 -109177.6369 299.2352 -201.1672 -174.4307 763003.4727 -0.1984 -0.0061 PRESSURE: 1961400 128.274 132.05 -167.028 132.05 -98.4293 104.487 -167.027 104.488 215.365 GPRESSURE: 1961400 46.1131 75.885 -155.544 94.4829 55.0191 148.609 -47.5268 -65.68 237.327 PRESSAVG: 1961400 64.0229 10.459 14.3509 10.459 -34.9947 -22.3588 14.3509 -22.3588 23.0957 GPRESSAVG: 1961400 63.71 10.8469 15.5653 7.56229 -34.071 -22.6231 14.0693 -23.0418 22.2577 TIMING: 1961400 CPU: 6200.41, 0.00314071/step Wall: 6200.41, 0.00314071/step, 2.65094 hours remaining, 237.601562 MB of memory in use. ENERGY: 1961400 3966.9287 20453.4354 14617.2097 264.1770 -202962.4139 2300.8232 0.0000 0.0000 52240.6419 -109119.1982 300.2277 -161359.8400 -108764.9049 299.2567 81.7363 112.8198 759371.8768 17.3747 17.2989 PRESSURE: 1961600 -60.0773 -148.539 18.3732 -148.54 -35.0384 -49.1289 18.3732 -49.1289 481.594 GPRESSURE: 1961600 36.9422 -96.7109 32.9469 -125.993 -13.9862 12.566 -63.2192 -148.781 430.225 PRESSAVG: 1961600 20.0193 -29.2411 25.0992 -29.2411 6.34632 20.0967 25.0991 20.0967 1.08351 GPRESSAVG: 1961600 21.0412 -28.5983 24.4419 -26.5162 5.137 21.7429 26.6494 18.4665 1.67867 TIMING: 1961600 CPU: 6201.04, 0.00314721/step Wall: 6201.04, 0.00314721/step, 2.65624 hours remaining, 237.601562 MB of memory in use. ENERGY: 1961600 3976.2433 20435.6026 14431.2158 255.6939 -202904.0286 2601.4193 0.0000 0.0000 52076.2653 -109127.5883 299.2830 -161203.8536 -108770.4278 299.7668 128.8262 151.0604 760821.6510 9.1497 9.2856 PRESSURE: 1961800 -250.323 45.333 -7.34228 45.3342 -490.095 -87.5958 -7.34178 -87.5965 165.393 GPRESSURE: 1961800 -72.4139 68.0526 26.5367 -5.58961 -502.15 -78.8337 -107.026 -32.6717 88.9923 PRESSAVG: 1961800 -8.29539 -36.1948 -11.0954 -36.1948 16.0743 -14.6396 -11.0954 -14.6397 -10.8122 GPRESSAVG: 1961800 -8.54571 -37.6215 -9.76718 -38.4445 16.3492 -15.9294 -13.1194 -10.8959 -10.732 TIMING: 1961800 CPU: 6201.67, 0.00313915/step Wall: 6201.67, 0.00313915/step, 2.64927 hours remaining, 237.601562 MB of memory in use. ENERGY: 1961800 4077.9012 20450.1629 14465.8046 254.6501 -203316.6228 2828.1410 0.0000 0.0000 52068.4389 -109171.5241 299.2380 -161239.9631 -108821.5026 299.5699 -191.6751 -161.8571 761780.9143 -1.0111 -0.9762 PRESSURE: 1962000 -267.63 -82.633 -106.187 -82.634 -172.502 78.8477 -106.186 78.8481 -383.887 GPRESSURE: 1962000 -189.975 -33.4415 -43.1025 -17.3681 -127.018 107.026 -3.55551 126.574 -385.519 PRESSAVG: 1962000 49.125 29.4833 -17.16 29.4834 -12.7711 8.04996 -17.16 8.04994 -14.6352 GPRESSAVG: 1962000 49.1183 30.136 -18.5084 30.0194 -11.911 8.69965 -14.4617 7.61657 -14.7509 TIMING: 1962000 CPU: 6202.3, 0.00313405/step Wall: 6202.3, 0.00313405/step, 2.64479 hours remaining, 237.601562 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: 1962000 3925.7534 20432.0316 14501.3541 258.7999 -202910.5432 2297.4041 0.0000 0.0000 52066.9805 -109428.2197 299.2297 -161495.2002 -109067.5142 299.1411 -274.6732 -234.1708 762731.4881 7.2395 7.4855 PRESSURE: 1962200 -194.597 241.23 -10.5159 241.23 -341.107 96.3362 -10.5152 96.3369 171.505 GPRESSURE: 1962200 -208.272 160.361 -29.631 276.167 -286.898 85.7105 8.50719 78.3336 194.983 PRESSAVG: 1962200 94.9673 11.1065 -41.2811 11.1066 -92.5921 35.6158 -41.2812 35.6159 15.585 GPRESSAVG: 1962200 93.0217 10.2699 -39.6626 12.5787 -91.0747 35.0415 -43.2586 34.096 16.4649 TIMING: 1962200 CPU: 6202.93, 0.00314292/step Wall: 6202.93, 0.00314292/step, 2.6521 hours remaining, 237.601562 MB of memory in use. ENERGY: 1962200 3933.5474 20628.6398 14495.7508 254.3917 -202794.6769 2188.5230 0.0000 0.0000 51992.3007 -109301.5235 298.8005 -161293.8242 -108936.6523 298.8900 -121.3998 -100.0627 760646.7066 5.9867 6.1373 PRESSURE: 1962400 -27.3738 -154.549 -3.51526 -154.548 -44.1973 226.909 -3.51536 226.91 121.314 GPRESSURE: 1962400 111.332 -157.538 -58.3336 -146.22 -56.0666 156.506 33.8038 245.107 94.9474 PRESSAVG: 1962400 29.4964 28.3885 40.043 28.3885 -12.4278 -22.5145 40.043 -22.5146 41.7117 GPRESSAVG: 1962400 32.6345 29.2453 39.0359 27.6316 -14.4051 -23.2785 39.6773 -21.999 41.2761 TIMING: 1962400 CPU: 6203.55, 0.00313189/step Wall: 6203.55, 0.00313188/step, 2.64261 hours remaining, 237.601562 MB of memory in use. ENERGY: 1962400 4007.5981 20364.3481 14424.1205 261.5481 -203005.0045 2608.3838 0.0000 0.0000 52074.0135 -109264.9923 299.2701 -161339.0059 -108905.6104 299.3976 16.5811 50.0709 760542.1783 19.5934 19.8352 PRESSURE: 1962600 407.437 32.8003 -173.901 32.7993 358.944 -202.541 -173.9 -202.541 425.158 GPRESSURE: 1962600 418.56 -69.0673 -154.383 29.0649 452.601 -357.119 -135.321 -9.32548 405.525 PRESSAVG: 1962600 -13.6274 -38.8581 30.414 -38.8581 -3.52804 2.33827 30.414 2.33831 5.58596 GPRESSAVG: 1962600 -14.7378 -39.5991 29.5553 -39.4606 -3.08945 3.39721 31.5346 3.12693 6.01204 TIMING: 1962600 CPU: 6204.18, 0.00313218/step Wall: 6204.18, 0.00313219/step, 2.6427 hours remaining, 237.601562 MB of memory in use. ENERGY: 1962600 3980.2258 20638.3027 14521.8801 257.6241 -203569.8536 2700.6087 0.0000 0.0000 52250.0008 -109221.2115 300.2815 -161471.2123 -108852.7857 299.0286 397.1796 425.5619 758929.9527 -3.8565 -3.9384 PRESSURE: 1962800 -455.727 -165.118 64.6824 -165.118 -124.77 140.41 64.6827 140.41 -350.41 GPRESSURE: 1962800 -406.132 -191.466 21.0697 -195.4 -63.0291 200.057 -82.9837 -16.0429 -371.708 PRESSAVG: 1962800 30.6549 -20.0287 2.04977 -20.0287 -10.5228 -18.934 2.04979 -18.934 -2.15839 GPRESSAVG: 1962800 30.1911 -21.2774 1.88642 -18.6334 -9.51884 -20.074 2.85806 -19.2471 -2.63081 TIMING: 1962800 CPU: 6204.81, 0.00312768/step Wall: 6204.81, 0.00312768/step, 2.63872 hours remaining, 237.601562 MB of memory in use. ENERGY: 1962800 4023.5866 20719.7712 14457.6322 252.9297 -202975.5092 2281.8206 0.0000 0.0000 52024.9916 -109214.7773 298.9883 -161239.7688 -108851.0678 299.5580 -310.3022 -280.2896 760567.7690 5.9912 6.0138 PRESSURE: 1963000 -135.352 36.6379 -110.503 36.6379 -12.4462 147.709 -110.502 147.71 -43.3929 GPRESSURE: 1963000 -92.9257 -11.1924 -106.897 112.446 -63.8461 245.663 -37.7434 273.452 44.4661 PRESSAVG: 1963000 37.6323 -24.9512 -13.8619 -24.9512 -13.6954 -2.39634 -13.8618 -2.39642 -13.0311 GPRESSAVG: 1963000 39.7636 -22.9802 -14.0213 -25.24 -14.4449 -3.50433 -13.2479 -2.50126 -13.3085 TIMING: 1963000 CPU: 6205.43, 0.00314032/step Wall: 6205.43, 0.00314032/step, 2.64921 hours remaining, 237.601562 MB of memory in use. ENERGY: 1963000 4031.6274 20663.5622 14438.6680 261.0549 -203200.0762 2552.9837 0.0000 0.0000 51934.9397 -109317.2403 298.4708 -161252.1800 -108965.0708 299.8794 -63.7303 -37.4353 762583.9605 3.6352 4.0034 PRESSURE: 1963200 29.8033 -30.7769 54.9433 -30.7753 44.2459 -44.7611 54.9434 -44.7614 45.9513 GPRESSURE: 1963200 -38.6074 10.0089 95.3035 79.1133 153.873 0.571202 76.2301 -96.6788 103.153 PRESSAVG: 1963200 44.0007 1.77506 35.0932 1.77508 -54.2418 41.34 35.0932 41.3399 9.98305 GPRESSAVG: 1963200 43.2134 1.02549 37.1971 2.8752 -54.8023 43.3219 32.5386 42.1803 11.0016 TIMING: 1963200 CPU: 6206.06, 0.00313811/step Wall: 6206.06, 0.00313811/step, 2.64717 hours remaining, 237.601562 MB of memory in use. ENERGY: 1963200 3966.6428 20393.1920 14435.2931 255.6678 -203017.8000 2491.5419 0.0000 0.0000 52037.9917 -109437.4708 299.0631 -161475.4625 -109068.9801 299.8208 40.0002 72.8061 761885.3381 -0.0860 -0.1958 PRESSURE: 1963400 132.537 188.063 68.1647 188.063 -107.243 75.8193 68.1643 75.8197 142.63 GPRESSURE: 1963400 150.581 160.421 150.594 158.116 -82.1851 98.4035 79.6338 76.2531 196.983 PRESSAVG: 1963400 28.9898 -37.5178 15.3558 -37.5177 -7.6668 49.5288 15.3559 49.5288 -0.531665 GPRESSAVG: 1963400 28.4062 -40.4328 13.3745 -36.7276 -6.32345 47.7223 15.7196 47.5842 -1.40513 TIMING: 1963400 CPU: 6206.69, 0.00315951/step Wall: 6206.69, 0.00315951/step, 2.66504 hours remaining, 237.601562 MB of memory in use. ENERGY: 1963400 4043.0581 20360.4378 14386.2814 240.9910 -203089.6655 2620.6573 0.0000 0.0000 52002.2141 -109436.0259 298.8574 -161438.2399 -109076.0325 298.9826 55.9747 88.4597 764438.2039 6.9304 6.8925 PRESSURE: 1963600 -47.9994 26.262 -149.323 26.262 89.3699 -26.7683 -149.323 -26.7688 22.56 GPRESSURE: 1963600 31.8286 42.3257 -153.125 49.0229 66.0784 -109.61 -100.229 112.68 57.4684 PRESSAVG: 1963600 39.4327 -0.47759 -36.1534 -0.477645 -30.7295 36.6352 -36.1534 36.6352 -3.13172 GPRESSAVG: 1963600 41.8013 3.92131 -37.216 -2.7474 -32.3425 36.0992 -34.947 37.9273 -3.28057 TIMING: 1963600 CPU: 6207.33, 0.00316093/step Wall: 6207.33, 0.00316093/step, 2.66607 hours remaining, 237.601562 MB of memory in use. ENERGY: 1963600 3970.0287 20296.5614 14465.5956 233.7332 -203165.0300 2820.9495 0.0000 0.0000 51835.6708 -109542.4907 297.9003 -161378.1616 -109183.1404 298.5109 21.3102 51.7918 764790.7608 1.8572 2.0594 PRESSURE: 1963800 146.945 -63.0686 -135.704 -63.0686 -167.144 -133.132 -135.703 -133.132 305.547 GPRESSURE: 1963800 122.108 -91.4179 -166.891 -110.189 -83.1386 -146.672 -129.181 -95.6853 314.211 PRESSAVG: 1963800 -20.8928 -27.3227 -30.7803 -27.3227 15.9982 30.9666 -30.7803 30.9666 2.59428 GPRESSAVG: 1963800 -20.7798 -27.222 -29.944 -28.8384 16.8865 30.897 -32.9164 31.4895 1.92041 TIMING: 1963800 CPU: 6207.96, 0.00316029/step Wall: 6207.96, 0.00316029/step, 2.66535 hours remaining, 237.601562 MB of memory in use. ENERGY: 1963800 3965.7954 20527.0401 14428.5852 233.2095 -203317.7013 2874.5889 0.0000 0.0000 51737.8095 -109550.6727 297.3379 -161288.4822 -109198.9625 298.4071 95.1159 117.7268 762866.0759 -0.7668 -0.6577 PRESSURE: 1964000 -294.827 -135.556 -131.573 -135.556 -69.6254 -187.069 -131.573 -187.07 -313.146 GPRESSURE: 1964000 -365.719 -192.331 -86.4661 1.55293 -15.2769 -190.211 2.69256 -203.146 -183.261 PRESSAVG: 1964000 -1.31945 -27.5325 -5.22683 -27.5326 -3.56825 -37.3953 -5.22685 -37.3953 -14.0838 GPRESSAVG: 1964000 -1.84416 -27.0828 -3.91048 -25.1203 -2.8117 -33.7649 -6.07176 -38.5078 -14.1246 TIMING: 1964000 CPU: 6208.58, 0.00313529/step Wall: 6208.58, 0.00313529/step, 2.64409 hours remaining, 237.601562 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: 1964000 3963.9000 20467.7228 14357.2186 273.5745 -203104.9504 2719.3101 0.0000 0.0000 51842.9060 -109480.3184 297.9419 -161323.2243 -109125.8206 298.4899 -225.8663 -188.0858 763546.7611 -6.3238 -6.2602 PRESSURE: 1964200 -69.553 -9.32267 92.3103 -9.32276 -228.003 29.3749 92.3104 29.3741 -367.193 GPRESSURE: 1964200 -16.6362 -37.6244 119.74 -74.3464 -148.406 8.17396 -41.8011 70.3845 -395.737 PRESSAVG: 1964200 29.6239 3.05755 -120.022 3.05755 -21.0006 1.90674 -120.022 1.90677 19.9835 GPRESSAVG: 1964200 28.5199 0.14131 -119.934 0.679599 -19.9345 1.1754 -117.316 0.983147 20.6251 TIMING: 1964200 CPU: 6209.21, 0.00313341/step Wall: 6209.21, 0.00313341/step, 2.64234 hours remaining, 237.601562 MB of memory in use. ENERGY: 1964200 3992.3344 20321.8577 14382.4599 244.6288 -202987.3597 2563.3877 0.0000 0.0000 51930.2390 -109552.4521 298.4438 -161482.6911 -109193.7410 298.8075 -221.5833 -186.9262 763217.9212 9.5356 9.7368 LDB: ============= START OF LOAD BALANCING ============== 6221.74 LDB: ============== END OF LOAD BALANCING =============== 6221.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6221.74 LDB: ============= START OF LOAD BALANCING ============== 6222.06 LDB: Largest compute 7051 load 0.028855 is 14.8% of average load 0.195515 LDB: Average compute 0.004386 is 2.2% of average load 0.195515 LDB: TIME 6222.06 LOAD: AVG 0.195515 MAX 0.218274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 6222.06 LOAD: AVG 0.195515 MAX 0.218274 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: TIME 6222.06 LOAD: AVG 0.195515 MAX 0.21797 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: ============== END OF LOAD BALANCING =============== 6222.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6222.07 PRESSURE: 1964400 124.52 -6.13968 106.605 -6.13901 88.0106 196.038 106.604 196.037 -292.805 GPRESSURE: 1964400 219.606 -22.7427 69.4191 23.5912 39.5714 265.296 -21.702 47.0555 -247.952 PRESSAVG: 1964400 14.9518 -20.2507 -24.1181 -20.2508 -7.40939 40.9532 -24.1181 40.9532 -18.3289 GPRESSAVG: 1964400 17.0139 -19.1334 -26.7248 -17.5159 -9.53647 38.8968 -22.2521 42.5432 -18.7902 TIMING: 1964400 CPU: 6209.85, 0.00319385/step Wall: 6209.85, 0.00319385/step, 2.69312 hours remaining, 235.652344 MB of memory in use. ENERGY: 1964400 4009.3421 20382.0466 14358.6847 251.2492 -203101.4935 2367.9345 0.0000 0.0000 52039.6209 -109692.6154 299.0724 -161732.2363 -109334.9884 298.7340 -26.7582 3.7420 760811.3857 -3.5955 -3.7709 PRESSURE: 1964600 216.034 -13.547 -49.9304 -13.5465 22.4874 50.5704 -49.9303 50.572 -55.0434 GPRESSURE: 1964600 246.725 -64.3107 -69.8676 -6.72546 72.7787 60.8767 -36.6784 97.1618 -71.5681 PRESSAVG: 1964600 20.7637 31.3133 -43.0523 31.3133 -5.25893 50.5729 -43.0523 50.5728 -11.9638 GPRESSAVG: 1964600 19.5742 31.9531 -40.3967 29.406 -4.64561 52.4131 -46.3097 49.1904 -11.4988 TIMING: 1964600 CPU: 6210.48, 0.00313319/step Wall: 6210.48, 0.00313319/step, 2.6418 hours remaining, 235.855469 MB of memory in use. ENERGY: 1964600 3935.7217 20470.9073 14403.6596 232.9441 -203182.2832 2613.2334 0.0000 0.0000 51923.6372 -109602.1799 298.4059 -161525.8172 -109247.2021 298.3749 61.1592 82.6453 761169.9944 1.1803 1.1433 PRESSURE: 1964800 427.173 1.68117 -112.142 1.68116 117.076 160.828 -112.141 160.828 -185.889 GPRESSURE: 1964800 516.276 -82.1413 -15.7028 115.552 58.5319 262.433 -81.999 136.437 -138.125 PRESSAVG: 1964800 -15.2223 -6.97355 -42.4813 -6.97358 -31.6405 60.7314 -42.4814 60.7314 -33.7488 GPRESSAVG: 1964800 -14.7037 -8.21927 -44.3505 -4.50698 -30.1538 61.5216 -42.9479 60.2442 -35.5053 TIMING: 1964800 CPU: 6211.11, 0.00315159/step Wall: 6211.11, 0.00315159/step, 2.65714 hours remaining, 235.855469 MB of memory in use. ENERGY: 1964800 3959.5992 20427.0004 14462.2483 258.2325 -203359.9993 2661.9981 0.0000 0.0000 51898.4884 -109692.4325 298.2613 -161590.9209 -109324.4997 298.5721 119.4534 145.5610 760442.7591 -26.8705 -26.7876 PRESSURE: 1965000 -48.2934 116.653 -79.2497 116.654 -331.423 -12.8296 -79.2503 -12.8295 -422.471 GPRESSURE: 1965000 42.187 119.767 18.6135 26.8725 -291.17 -67.489 -77.7324 14.6149 -486.996 PRESSAVG: 1965000 -5.34619 2.9457 6.49709 2.94561 8.18669 -7.31687 6.49702 -7.31682 -8.20937 GPRESSAVG: 1965000 -7.73885 3.06321 6.48371 1.93232 8.0415 -8.04899 7.71888 -5.94279 -6.08371 TIMING: 1965000 CPU: 6211.73, 0.00313965/step Wall: 6211.73, 0.00313965/step, 2.6469 hours remaining, 235.855469 MB of memory in use. ENERGY: 1965000 3934.5023 20491.8256 14453.0251 241.4747 -203593.0210 2455.4170 0.0000 0.0000 52107.4671 -109909.3093 299.4623 -162016.7764 -109551.4733 298.2694 -267.3956 -245.3263 761868.2478 -1.7896 -1.9270 PRESSURE: 1965200 44.6563 66.6394 16.9906 66.6388 -189.043 -66.0599 16.9906 -66.0587 246.78 GPRESSURE: 1965200 144.371 128.253 87.7828 92.2934 -111.358 -11.3452 -15.9027 -98.7829 152.347 PRESSAVG: 1965200 -24.0583 30.3716 13.3633 30.3717 6.36782 -7.43527 13.3633 -7.43525 4.88965 GPRESSAVG: 1965200 -22.6854 29.8611 15.3343 28.3642 6.01606 -7.047 11.892 -7.27412 4.009 TIMING: 1965200 CPU: 6212.36, 0.00314338/step Wall: 6212.36, 0.00314338/step, 2.64987 hours remaining, 235.855469 MB of memory in use. ENERGY: 1965200 3873.8085 20448.2025 14432.3675 250.3252 -203582.8872 2716.8262 0.0000 0.0000 51931.2389 -109930.1183 298.4495 -161861.3572 -109575.8087 298.3068 34.1308 61.7869 761293.4165 -4.2670 -4.2201 PRESSURE: 1965400 -151.665 -167.55 61.0656 -167.55 197.915 -210.628 61.0649 -210.628 31.2541 GPRESSURE: 1965400 -63.1701 -203.398 134.207 6.90798 214.89 -199.782 108.763 -114.92 21.2265 PRESSAVG: 1965400 -21.2887 -72.2953 -13.6669 -72.2953 11.8795 -67.5803 -13.6669 -67.5803 25.848 GPRESSAVG: 1965400 -21.0376 -70.7758 -14.5735 -71.6573 12.6094 -68.6829 -10.96 -68.5656 25.4066 TIMING: 1965400 CPU: 6213, 0.00317759/step Wall: 6213, 0.00317759/step, 2.67853 hours remaining, 235.855469 MB of memory in use. ENERGY: 1965400 4047.1562 20484.5372 14372.0511 247.1042 -203811.2731 2953.7524 0.0000 0.0000 51911.1991 -109795.4729 298.3344 -161706.6720 -109431.2299 298.1420 25.8345 57.6488 762968.2413 5.4796 5.6594 PRESSURE: 1965600 63.3024 -90.7599 60.901 -90.7592 89.0045 4.82161 60.9018 4.8221 72.8112 GPRESSURE: 1965600 122.54 -137.942 53.9497 -0.961834 46.1188 -37.749 -26.6471 56.1147 121.609 PRESSAVG: 1965600 -31.9023 -32.8204 -6.43484 -32.8204 29.1654 -4.51726 -6.43486 -4.51723 -5.18548 GPRESSAVG: 1965600 -32.8751 -33.7258 -5.93539 -30.8313 28.7396 -4.35871 -8.6248 -4.6569 -4.16029 TIMING: 1965600 CPU: 6213.63, 0.00313698/step Wall: 6213.63, 0.00313698/step, 2.64413 hours remaining, 235.855469 MB of memory in use. ENERGY: 1965600 3970.1895 20496.4726 14392.9512 248.1950 -203768.5488 2882.6475 0.0000 0.0000 51925.9724 -109852.1205 298.4193 -161778.0930 -109490.4739 297.3457 75.0394 96.7560 763457.4362 -2.6408 -2.7653 PRESSURE: 1965800 -139.511 122.496 -134.798 122.495 478.422 222.108 -134.798 222.107 258.891 GPRESSURE: 1965800 -19.4764 70.8204 -210.829 69.3353 455.664 123.079 -45.9386 135.733 264.4 PRESSAVG: 1965800 2.13244 -12.8631 45.2454 -12.8631 2.36664 -57.7664 45.2454 -57.7665 1.19218 GPRESSAVG: 1965800 2.82778 -10.5949 44.476 -13.7878 2.18697 -58.5005 44.0784 -56.451 0.561619 TIMING: 1965800 CPU: 6214.25, 0.00313671/step Wall: 6214.25, 0.00313671/step, 2.64373 hours remaining, 235.855469 MB of memory in use. ENERGY: 1965800 3967.9334 20554.5250 14456.5917 242.8001 -203825.4271 2971.4024 0.0000 0.0000 51908.0526 -109724.1220 298.3163 -161632.1746 -109365.8715 298.2986 199.2672 233.5292 761781.5748 1.8971 1.8588 PRESSURE: 1966000 386.581 -312.766 -399.034 -312.766 -179.129 157.855 -399.034 157.855 -22.9021 GPRESSURE: 1966000 338.651 -385.074 -267.234 -206.583 -25.1683 167.601 -375.092 226.199 -64.53 PRESSAVG: 1966000 -12.4361 -28.8112 -34.1675 -28.8111 51.23 3.65696 -34.1675 3.65695 -17.7296 GPRESSAVG: 1966000 -12.0335 -29.9253 -34.7915 -29.0101 50.4789 3.29757 -31.9894 3.62335 -18.2339 TIMING: 1966000 CPU: 6214.88, 0.00313572/step Wall: 6214.88, 0.00313572/step, 2.64271 hours remaining, 235.855469 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: 1966000 4003.9126 20514.2072 14400.4457 256.7374 -203809.1423 2868.8774 0.0000 0.0000 52367.0676 -109397.8945 300.9543 -161764.9621 -109038.6443 298.8481 61.5168 82.9843 761144.7887 7.0214 6.7371 PRESSURE: 1966200 28.5562 -126.765 101.261 -126.766 93.0658 -241.584 101.261 -241.584 116.208 GPRESSURE: 1966200 24.9416 -61.7752 136.09 -190.667 232.835 -234.015 17.5635 -248.096 71.9445 PRESSAVG: 1966200 26.591 -25.8646 -4.22373 -25.8647 19.9615 31.7376 -4.22367 31.7377 18.8673 GPRESSAVG: 1966200 25.4905 -25.5175 -2.50823 -26.5177 20.8342 31.5284 -6.01987 30.9882 19.4346 TIMING: 1966200 CPU: 6215.51, 0.0031439/step Wall: 6215.51, 0.0031439/step, 2.64944 hours remaining, 235.855469 MB of memory in use. ENERGY: 1966200 3931.1442 20465.5390 14542.5437 231.8374 -203187.7277 2826.7392 0.0000 0.0000 52015.4044 -109174.5198 298.9332 -161189.9241 -108810.1205 299.0647 79.2765 109.9071 763433.6364 21.8066 21.9198 PRESSURE: 1966400 -79.9931 76.1879 -43.2218 76.1873 194.523 208.283 -43.2226 208.284 173.351 GPRESSURE: 1966400 -27.2984 114.283 -97.7249 125.026 218.029 77.4186 28.8211 151.732 166.816 PRESSAVG: 1966400 39.0558 -42.9036 -67.7918 -42.9036 -23.2684 42.7228 -67.7919 42.7228 -16.4589 GPRESSAVG: 1966400 39.0026 -41.8705 -69.2813 -41.0744 -22.9343 42.97 -67.9477 43.8108 -16.458 TIMING: 1966400 CPU: 6216.14, 0.00314829/step Wall: 6216.14, 0.00314829/step, 2.65296 hours remaining, 235.855469 MB of memory in use. ENERGY: 1966400 3993.1407 20441.5951 14530.5388 259.4171 -203236.6552 2658.3260 0.0000 0.0000 52157.5500 -109196.0876 299.7502 -161353.6376 -108833.8635 299.3245 95.9604 119.1823 761373.9014 -0.2238 -0.1299 PRESSURE: 1966600 -121.346 27.3887 -216.721 27.3883 -145.357 123.95 -216.721 123.95 -406.206 GPRESSURE: 1966600 -62.1315 86.1313 -295.193 -44.5965 -150.309 155.097 -280.927 159.477 -377.038 PRESSAVG: 1966600 -40.285 -31.7835 -52.0275 -31.7835 -5.29174 40.9766 -52.0275 40.9766 -1.24798 GPRESSAVG: 1966600 -40.0438 -33.7558 -51.9801 -35.1153 -5.6617 41.2707 -50.8139 40.5222 -1.45274 TIMING: 1966600 CPU: 6216.77, 0.00313065/step Wall: 6216.77, 0.00313065/step, 2.63792 hours remaining, 235.855469 MB of memory in use. ENERGY: 1966600 3965.8427 20563.7210 14465.2134 266.3112 -202928.4333 2476.4672 0.0000 0.0000 51938.1722 -109252.7056 298.4894 -161190.8778 -108896.9565 299.4123 -224.3029 -196.4927 763830.1859 -15.6082 -15.7194 PRESSURE: 1966800 6.64076 -76.4282 -118.517 -76.4286 -4.29234 -64.6742 -118.517 -64.6741 -105.564 GPRESSURE: 1966800 85.6916 -263.853 -127.239 110.233 -16.6556 -72.803 -100.45 19.7541 -95.3534 PRESSAVG: 1966800 -64.7449 -41.1772 -59.1394 -41.1772 12.5764 -12.5326 -59.1394 -12.5326 -12.6823 GPRESSAVG: 1966800 -64.1524 -40.1501 -59.8797 -39.4647 11.517 -11.7836 -58.9198 -13.6364 -12.31 TIMING: 1966800 CPU: 6217.39, 0.0031345/step Wall: 6217.39, 0.0031345/step, 2.64099 hours remaining, 235.855469 MB of memory in use. ENERGY: 1966800 4024.0731 20459.1194 14567.9718 275.7004 -203181.1951 2599.9070 0.0000 0.0000 52141.5729 -109112.8507 299.6583 -161254.4235 -108743.9258 299.0992 -34.4053 -8.7725 762367.0360 -21.6169 -21.6485 PRESSURE: 1967000 73.6585 52.5149 94.7518 52.5144 -99.5524 233.954 94.7505 233.955 -55.4639 GPRESSURE: 1967000 207.972 34.3361 60.1064 79.2663 -208.672 154.832 -32.275 233.3 8.08883 PRESSAVG: 1967000 -30.9132 -26.3187 -8.64463 -26.3188 40.6627 32.7417 -8.64459 32.7418 15.6985 GPRESSAVG: 1967000 -31.2731 -26.8191 -7.73746 -24.5769 40.1447 31.5878 -10.5293 34.4312 16.5812 TIMING: 1967000 CPU: 6218.02, 0.00315209/step Wall: 6218.02, 0.00315209/step, 2.65564 hours remaining, 235.855469 MB of memory in use. ENERGY: 1967000 4013.8924 20498.0242 14487.2489 249.3859 -203204.3906 2445.0764 0.0000 0.0000 52156.9020 -109353.8607 299.7464 -161510.7627 -108981.3322 299.6263 -27.1193 2.4629 760414.8273 8.4827 8.4843 PRESSURE: 1967200 344.149 148.279 8.92326 148.28 66.8792 -189.815 8.92294 -189.815 -234.833 GPRESSURE: 1967200 360.169 142.743 86.1182 9.66578 80.192 -298.887 -31.599 -104.78 -187.462 PRESSAVG: 1967200 -25.2047 37.985 3.6996 37.985 2.14316 4.21362 3.69969 4.21357 -1.43019 GPRESSAVG: 1967200 -26.1805 39.7709 4.3946 35.2394 2.90614 4.37188 2.90828 3.08705 -1.74447 TIMING: 1967200 CPU: 6218.65, 0.00315417/step Wall: 6218.65, 0.00315417/step, 2.65722 hours remaining, 235.855469 MB of memory in use. ENERGY: 1967200 3884.7498 20576.8820 14442.7091 241.6928 -203647.4685 2909.0357 0.0000 0.0000 52095.1738 -109497.2254 299.3917 -161592.3992 -109136.4649 299.3753 58.7315 84.2997 760959.1203 -8.1639 -8.3396 PRESSURE: 1967400 -61.7484 28.2206 -129.5 28.2208 159.826 -135.994 -129.499 -135.994 -198.961 GPRESSURE: 1967400 20.3336 -79.0373 -153.094 13.1713 171.936 -112.242 -22.4297 -253.683 -222.417 PRESSAVG: 1967400 14.7229 35.779 -12.1773 35.779 -27.8674 -23.0862 -12.1773 -23.0862 -26.6474 GPRESSAVG: 1967400 15.2458 35.3358 -12.8683 35.4811 -28.0142 -24.021 -8.63685 -22.3314 -27.6599 TIMING: 1967400 CPU: 6219.28, 0.00314838/step Wall: 6219.28, 0.00314838/step, 2.65216 hours remaining, 235.855469 MB of memory in use. ENERGY: 1967400 3906.7694 20576.3396 14430.0521 269.6212 -203763.5882 2825.4497 0.0000 0.0000 52120.7204 -109634.6359 299.5385 -161755.3563 -109268.7182 298.5272 -33.6277 -10.0491 762456.0133 -13.2640 -13.4761 PRESSURE: 1967600 219.819 -166.703 41.0395 -166.703 -110.154 -42.3787 41.0393 -42.3789 440.482 GPRESSURE: 1967600 229.925 -93.9123 62.3933 -254.18 -28.2846 22.8003 139.032 6.72732 421.88 PRESSAVG: 1967600 110.192 9.98443 -26.812 9.98454 -72.4472 30.8013 -26.812 30.8013 -10.3945 GPRESSAVG: 1967600 109.45 10.1179 -25.8106 10.1624 -71.1929 34.6344 -30.8305 30.1323 -10.889 TIMING: 1967600 CPU: 6219.91, 0.00314616/step Wall: 6219.91, 0.00314616/step, 2.65011 hours remaining, 235.855469 MB of memory in use. ENERGY: 1967600 4002.9294 20490.8450 14470.7662 234.2587 -203401.4916 2706.6335 0.0000 0.0000 51987.8857 -109508.1730 298.7751 -161496.0588 -109154.2069 298.7243 183.3822 207.8402 762986.0953 9.1168 9.1227 PRESSURE: 1967800 1.95727 2.85258 16.3116 2.8527 -24.9446 -75.0893 16.312 -75.0885 446.31 GPRESSURE: 1967800 66.6753 -90.5641 65.4584 139.249 -13.2285 -206.958 -0.916717 -16.587 471.325 PRESSAVG: 1967800 21.8435 -11.3086 1.05591 -11.3086 -25.6691 15.6836 1.05592 15.6836 4.96528 GPRESSAVG: 1967800 21.8487 -11.6766 0.191004 -9.49787 -26.3507 12.3757 3.18345 16.685 5.32037 TIMING: 1967800 CPU: 6220.55, 0.00316271/step Wall: 6220.55, 0.00316271/step, 2.66388 hours remaining, 235.855469 MB of memory in use. ENERGY: 1967800 4020.0111 20509.7415 14448.1849 259.7420 -203338.6641 2803.8671 0.0000 0.0000 52079.5719 -109217.5455 299.3020 -161297.1174 -108848.4285 299.1542 141.1076 174.9239 761462.5081 0.3799 0.2728 PRESSURE: 1968000 181.717 -174.494 -97.0517 -174.494 252.504 183.709 -97.0526 183.709 324.343 GPRESSURE: 1968000 284.089 -43.9485 -90.3567 -123.746 302.051 152.465 -264.572 87.1655 264.68 PRESSAVG: 1968000 46.089 36.7324 1.19342 36.7325 -48.5225 10.6645 1.19346 10.6645 19.3928 GPRESSAVG: 1968000 47.1027 37.6272 1.1319 35.2275 -49.9829 10.918 1.94333 9.98689 19.6776 TIMING: 1968000 CPU: 6221.17, 0.00312965/step Wall: 6221.17, 0.00312965/step, 2.63586 hours remaining, 235.855469 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: 1968000 3985.9259 20607.5293 14370.1759 232.8813 -203412.7240 2780.9635 0.0000 0.0000 52334.6645 -109100.5836 300.7680 -161435.2481 -108735.1798 300.0444 252.8548 283.6068 761544.7744 5.6531 5.5991 PRESSURE: 1968200 14.9292 122.322 56.332 122.322 263.171 47.6233 56.3325 47.6234 99.1707 GPRESSURE: 1968200 102.853 67.6733 133.55 125.313 309.216 35.0717 -7.87389 -20.6151 54.5794 PRESSAVG: 1968200 20.8868 -17.739 -74.5624 -17.7391 -37.1399 38.4753 -74.5624 38.4752 6.71862 GPRESSAVG: 1968200 19.6239 -17.7594 -72.342 -17.89 -36.4854 37.4688 -77.4191 38.5771 6.94849 TIMING: 1968200 CPU: 6221.8, 0.00313379/step Wall: 6221.8, 0.00313379/step, 2.63917 hours remaining, 235.855469 MB of memory in use. ENERGY: 1968200 3984.3742 20736.3101 14441.2609 256.1122 -203733.1315 2794.8929 0.0000 0.0000 52509.8850 -109010.2963 301.7750 -161520.1812 -108644.5211 300.5143 125.7569 155.5492 761070.1029 -3.1782 -3.3043 LDB: ============= START OF LOAD BALANCING ============== 6234.33 LDB: ============== END OF LOAD BALANCING =============== 6234.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6234.33 LDB: ============= START OF LOAD BALANCING ============== 6234.65 LDB: Largest compute 7060 load 0.028662 is 14.7% of average load 0.195519 LDB: Average compute 0.004377 is 2.2% of average load 0.195519 LDB: TIME 6234.65 LOAD: AVG 0.195519 MAX 0.218351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 6234.65 LOAD: AVG 0.195519 MAX 0.218351 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 6234.65 LOAD: AVG 0.195519 MAX 0.218145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 6234.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6234.66 PRESSURE: 1968400 114.526 16.8347 -47.9135 16.8346 2.94021 64.8736 -47.9146 64.8733 619.207 GPRESSURE: 1968400 120.097 -69.4979 -49.3178 -73.9857 96.9745 -6.21144 -119.243 70.0611 601.192 PRESSAVG: 1968400 21.4613 -50.7077 -34.9712 -50.7077 -0.0337511 18.6097 -34.9712 18.6097 -1.69831 GPRESSAVG: 1968400 21.3764 -51.0034 -37.3131 -50.3029 0.0986455 20.0278 -34.9292 18.4339 -1.63905 TIMING: 1968400 CPU: 6222.44, 0.00320951/step Wall: 6222.44, 0.00320951/step, 2.70277 hours remaining, 238.476562 MB of memory in use. ENERGY: 1968400 4058.8957 20637.4250 14419.9370 250.4753 -203313.2910 2752.3843 0.0000 0.0000 52134.5507 -109059.6229 299.6180 -161194.1736 -108692.8804 300.2109 245.5577 272.7545 761406.9057 6.5764 6.6120 PRESSURE: 1968600 -266.407 59.8157 155.166 59.816 -387.151 112.116 155.166 112.116 -252.545 GPRESSURE: 1968600 -227.983 82.348 193.663 42.5686 -313.207 77.7011 119.097 177.158 -305.727 PRESSAVG: 1968600 61.7781 -18.1553 -20.2712 -18.1554 -73.5774 34.5986 -20.2712 34.5987 8.83354 GPRESSAVG: 1968600 62.4776 -17.7445 -19.707 -19.1247 -72.7132 33.9654 -17.8871 34.6111 6.7665 TIMING: 1968600 CPU: 6223.07, 0.003152/step Wall: 6223.07, 0.003152/step, 2.65416 hours remaining, 238.542969 MB of memory in use. ENERGY: 1968600 3976.3498 20759.2549 14407.0563 252.6676 -203076.7529 2300.3141 0.0000 0.0000 52198.5932 -109182.5169 299.9860 -161381.1102 -108799.0267 300.2119 -302.0344 -282.3058 761908.0972 -0.9886 -1.1564 PRESSURE: 1968800 -248.206 -30.5711 -5.92757 -30.5719 -68.8732 191.843 -5.92737 191.843 -105.367 GPRESSURE: 1968800 -204.727 -18.9265 96.4831 -95.108 -67.5279 234.656 -96.246 161.603 -68.3465 PRESSAVG: 1968800 30.8337 8.42948 -38.4925 8.42947 -11.9435 -16.7877 -38.4925 -16.7878 -35.1042 GPRESSAVG: 1968800 30.6358 6.79498 -37.3895 8.55861 -12.5441 -15.0201 -40.5955 -15.5846 -34.2398 TIMING: 1968800 CPU: 6223.7, 0.0031343/step Wall: 6223.7, 0.0031343/step, 2.63908 hours remaining, 238.542969 MB of memory in use. ENERGY: 1968800 3972.4697 20499.5063 14434.4038 259.8246 -203144.1556 2409.8351 0.0000 0.0000 52476.8793 -109091.2368 301.5853 -161568.1161 -108726.7177 299.8593 -140.8154 -113.5337 762162.8336 -5.4047 -5.3827 PRESSURE: 1969000 231.32 -88.4673 -96.055 -88.4674 94.7909 134.826 -96.0547 134.826 -263.04 GPRESSURE: 1969000 247.614 -116.411 -172.741 -3.41565 110.692 134.134 -134.891 136.345 -216.616 PRESSAVG: 1969000 75.695 -22.9765 -67.9394 -22.9764 -56.1929 -11.4154 -67.9394 -11.4154 8.93891 GPRESSAVG: 1969000 76.0922 -23.5111 -68.7744 -23.4011 -56.5195 -12.2966 -66.0797 -11.5588 9.00531 TIMING: 1969000 CPU: 6224.32, 0.0031353/step Wall: 6224.32, 0.0031353/step, 2.63975 hours remaining, 238.542969 MB of memory in use. ENERGY: 1969000 4012.8109 20701.3048 14506.1421 231.8073 -203267.2534 2692.2266 0.0000 0.0000 52294.8349 -108828.1269 300.5391 -161122.9618 -108472.0255 299.9561 21.0235 47.2297 761397.7926 9.4803 9.5260 PRESSURE: 1969200 288.491 -172.341 20.6477 -172.341 -185.292 -8.4791 20.646 -8.47957 -397.336 GPRESSURE: 1969200 254.186 -182.273 100.886 -128.447 -137.026 11.1632 -70.0512 -32.572 -313.538 PRESSAVG: 1969200 49.1447 -24.4255 7.39698 -24.4256 -29.5604 53.3812 7.39697 53.3812 10.8678 GPRESSAVG: 1969200 50.0132 -21.5103 5.35033 -24.1487 -29.5381 53.725 6.82554 52.1523 10.1502 TIMING: 1969200 CPU: 6224.95, 0.00312495/step Wall: 6224.95, 0.00312495/step, 2.63086 hours remaining, 238.542969 MB of memory in use. ENERGY: 1969200 3958.2103 20502.7635 14411.9645 242.5907 -202874.1375 2402.7075 0.0000 0.0000 52409.4756 -108946.4254 301.1980 -161355.9010 -108584.6862 300.3070 -98.0453 -65.4595 761958.8492 10.1507 10.2084 PRESSURE: 1969400 66.5133 51.8992 -84.799 51.8992 -327.198 96.2671 -84.8 96.266 -170.037 GPRESSURE: 1969400 169.673 -4.92518 -98.3822 -21.1876 -317.895 156.511 -67.1411 -8.6819 -219.665 PRESSAVG: 1969400 35.7766 -46.4958 -69.9887 -46.4958 -28.6233 38.903 -69.9887 38.903 -26.3813 GPRESSAVG: 1969400 34.135 -48.3032 -69.0554 -45.468 -27.4108 38.6963 -70.0323 39.7551 -25.8995 TIMING: 1969400 CPU: 6225.58, 0.00315374/step Wall: 6225.58, 0.00315374/step, 2.65492 hours remaining, 238.542969 MB of memory in use. ENERGY: 1969400 3951.1241 20671.9719 14459.9829 250.4667 -202854.1416 2410.1582 0.0000 0.0000 52035.8269 -109074.6109 299.0506 -161110.4378 -108712.9994 299.8848 -143.5739 -122.6288 764666.8061 -6.4094 -6.3918 PRESSURE: 1969600 -71.2718 -113.788 122.539 -113.788 -379.418 315.525 122.54 315.525 97.0237 GPRESSURE: 1969600 -138.466 -137.376 98.1699 -42.427 -249.098 356.004 102.56 141.42 123.036 PRESSAVG: 1969600 78.5343 -13.0512 -33.3027 -13.0511 -41.4552 21.4763 -33.3027 21.4764 -3.44873 GPRESSAVG: 1969600 79.7659 -12.7004 -33.0581 -14.2934 -42.7509 22.9756 -31.8545 20.5713 -3.48579 TIMING: 1969600 CPU: 6226.21, 0.00313647/step Wall: 6226.21, 0.00313647/step, 2.64021 hours remaining, 238.542969 MB of memory in use. ENERGY: 1969600 4022.8549 20629.4852 14362.9124 246.0845 -202795.0569 2618.0585 0.0000 0.0000 51745.4032 -109170.2581 297.3815 -160915.6613 -108809.6437 299.7875 -117.8886 -88.1761 762980.3903 11.2101 11.1764 PRESSURE: 1969800 -199.291 -45.2356 157.807 -45.2351 -264.283 -106.829 157.807 -106.829 -59.8331 GPRESSURE: 1969800 -183.218 -23.8269 96.3356 32.8523 -166.848 -66.2591 169.202 -37.0447 -96.9562 PRESSAVG: 1969800 28.552 -41.1942 -93.8909 -41.1942 -19.9671 77.6585 -93.8908 77.6584 7.26195 GPRESSAVG: 1969800 26.579 -40.2486 -93.8227 -40.2913 -18.6912 77.3434 -96.7327 79.0909 7.15016 TIMING: 1969800 CPU: 6226.84, 0.0031532/step Wall: 6226.84, 0.0031532/step, 2.65412 hours remaining, 238.542969 MB of memory in use. ENERGY: 1969800 3977.2594 20514.8659 14495.8761 253.8235 -202899.2373 2415.0562 0.0000 0.0000 51989.7357 -109252.6206 298.7857 -161242.3562 -108884.7362 299.1343 -174.4690 -149.0073 763114.0334 5.2823 5.0127 PRESSURE: 1970000 481.465 28.3482 -32.904 28.3487 294.712 6.93818 -32.9036 6.93745 -69.6149 GPRESSURE: 1970000 487.969 134.728 -72.5488 112.141 291.693 60.0672 -91.4 99.8819 0.970243 PRESSAVG: 1970000 -0.611147 -4.89588 -45.0933 -4.89592 -22.4291 68.445 -45.0933 68.4451 -13.9979 GPRESSAVG: 1970000 0.49067 -5.51199 -44.6712 -2.97455 -23.8694 66.747 -45.0695 68.3258 -13.5385 TIMING: 1970000 CPU: 6227.47, 0.00314584/step Wall: 6227.47, 0.00314584/step, 2.64775 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: 1970000 3931.1373 20627.4539 14541.5270 241.2414 -203541.7944 2881.7481 0.0000 0.0000 52213.0245 -109105.6621 300.0690 -161318.6866 -108742.0203 299.1113 235.5209 260.2107 760772.5401 -12.3460 -12.3058 PRESSURE: 1970200 -107.156 -52.049 206.528 -52.0492 47.5106 99.8993 206.528 99.8998 267.086 GPRESSURE: 1970200 -10.0683 -44.1201 183.191 -106.491 63.9459 65.1599 171.855 101.75 230.696 PRESSAVG: 1970200 33.9731 -40.4157 5.00202 -40.4157 -3.73232 51.3447 5.00191 51.3446 13.1846 GPRESSAVG: 1970200 34.4138 -40.2028 4.25898 -42.3538 -3.18745 52.6107 5.60628 50.4805 12.0375 TIMING: 1970200 CPU: 6228.1, 0.00314425/step Wall: 6228.1, 0.00314425/step, 2.64623 hours remaining, 238.542969 MB of memory in use. ENERGY: 1970200 3978.5922 20391.7980 14417.9744 257.8017 -202911.1758 2675.9647 0.0000 0.0000 52112.0874 -109076.9573 299.4889 -161189.0447 -108706.6227 300.1948 69.1468 94.8580 762790.3267 14.4751 14.4213 PRESSURE: 1970400 130.038 -99.2839 7.40631 -99.2832 60.3791 0.0257591 7.40692 0.0260281 394.321 GPRESSURE: 1970400 234.782 -130.464 30.8659 -164.842 111.447 -10.1044 -2.4396 76.9134 330.052 PRESSAVG: 1970400 36.6904 -31.7549 -1.15262 -31.7549 -23.3933 7.77894 -1.15254 7.77895 18.8356 GPRESSAVG: 1970400 35.5519 -31.9432 -1.83167 -32.4623 -23.2448 5.78101 -1.32976 9.33223 19.5869 TIMING: 1970400 CPU: 6228.73, 0.00315358/step Wall: 6228.73, 0.00315358/step, 2.65392 hours remaining, 238.542969 MB of memory in use. ENERGY: 1970400 3908.7635 20586.7385 14441.4296 255.5891 -202745.1204 2308.3751 0.0000 0.0000 52186.3147 -109057.9099 299.9155 -161244.2247 -108693.0149 300.1763 194.9128 225.4272 763358.5292 10.7109 10.6314 PRESSURE: 1970600 -457.232 134.06 -191.126 134.06 -120.767 -218.072 -191.126 -218.071 -278.301 GPRESSURE: 1970600 -421.766 117.994 -114.49 19.1842 -67.3328 -271.453 -123.927 -215.319 -285.325 PRESSAVG: 1970600 -13.5187 -11.0146 -7.63201 -11.0146 -62.4947 -19.8656 -7.63199 -19.8656 6.89755 GPRESSAVG: 1970600 -13.4869 -10.0365 -6.40108 -11.7792 -62.5813 -17.8343 -6.65851 -21.0222 7.09458 TIMING: 1970600 CPU: 6229.36, 0.00315582/step Wall: 6229.36, 0.00315582/step, 2.65562 hours remaining, 238.667969 MB of memory in use. ENERGY: 1970600 3956.7634 20567.1697 14428.0681 252.2688 -202683.2159 2351.7164 0.0000 0.0000 52154.7162 -108972.5134 299.7339 -161127.2295 -108604.9318 299.5931 -285.4335 -258.1410 764275.0856 -23.0386 -22.9912 PRESSURE: 1970800 -96.5426 57.5122 -91.3187 57.5117 32.6339 136.533 -91.3178 136.533 -42.2082 GPRESSURE: 1970800 -147.767 81.8613 -7.64759 118.396 139.191 165.462 -46.1407 30.1464 -25.3858 PRESSAVG: 1970800 4.49763 -3.86107 -41.6262 -3.86107 37.619 35.5252 -41.6262 35.5251 1.38618 GPRESSAVG: 1970800 3.75061 -4.55277 -42.1629 -1.86386 38.2331 35.3972 -42.4449 35.3514 0.861602 TIMING: 1970800 CPU: 6229.98, 0.00313124/step Wall: 6229.98, 0.00313124/step, 2.63476 hours remaining, 238.667969 MB of memory in use. ENERGY: 1970800 3941.3160 20540.2626 14494.4598 238.8648 -203147.4491 2446.5511 0.0000 0.0000 52270.3626 -109215.6321 300.3985 -161485.9948 -108853.4779 299.5431 -35.3723 -11.3205 762121.0941 14.5009 14.2818 PRESSURE: 1971000 -259.297 133.493 282.478 133.494 -126.712 169.976 282.478 169.976 196.274 GPRESSURE: 1971000 -152.984 112.958 222.509 124.367 -94.5387 254.177 281.048 180.189 145.368 PRESSAVG: 1971000 -3.34724 -71.1455 -1.36732 -71.1455 18.2422 72.5166 -1.36726 72.5166 -6.2712 GPRESSAVG: 1971000 -3.22043 -72.5835 -0.670586 -70.3307 16.9524 71.3476 -1.59001 73.586 -5.29428 TIMING: 1971000 CPU: 6230.61, 0.00315017/step Wall: 6230.61, 0.00315017/step, 2.65052 hours remaining, 238.667969 MB of memory in use. ENERGY: 1971000 4067.9156 20566.8797 14449.3973 257.6154 -203332.0358 2771.0425 0.0000 0.0000 52259.0421 -108960.1432 300.3334 -161219.1852 -108590.0208 299.9331 -63.2447 -34.0516 762483.6860 2.8746 2.8126 PRESSURE: 1971200 220.692 -72.9962 243.105 -72.9973 -108.818 10.327 243.107 10.3265 129.793 GPRESSURE: 1971200 313.862 -41.239 260.329 -29.8469 -138.717 39.5026 145.971 -33.6477 167.976 PRESSAVG: 1971200 11.5817 11.4402 11.6742 11.4402 6.11149 47.0015 11.6742 47.0015 -25.3098 GPRESSAVG: 1971200 11.6162 12.1449 10.0076 12.0109 6.05363 48.5896 13.557 45.9194 -25.0326 TIMING: 1971200 CPU: 6231.24, 0.00315147/step Wall: 6231.24, 0.00315147/step, 2.65143 hours remaining, 238.667969 MB of memory in use. ENERGY: 1971200 3970.8665 20666.5144 14451.3179 233.0454 -203208.3289 2746.2332 0.0000 0.0000 52212.8655 -108927.4860 300.0681 -161140.3515 -108564.8434 300.4663 80.5553 114.3740 762082.6863 -2.5389 -2.4542 PRESSURE: 1971400 -17.5178 -135.92 38.21 -135.921 -139.344 157.436 38.21 157.436 -196.885 GPRESSURE: 1971400 -2.21081 -189.698 19.0168 -98.5007 -132.701 164.833 170.375 180.35 -132.148 PRESSAVG: 1971400 -16.231 16.6637 19.0089 16.6638 42.1606 21.4804 19.009 21.4804 -12.1088 GPRESSAVG: 1971400 -16.23 17.6403 18.2096 16.0372 43.5906 21.3995 18.9287 20.8085 -13.8019 TIMING: 1971400 CPU: 6231.87, 0.00314629/step Wall: 6231.87, 0.00314629/step, 2.6469 hours remaining, 238.667969 MB of memory in use. ENERGY: 1971400 3994.0451 20635.1704 14412.7598 237.3845 -202972.4183 2614.5325 0.0000 0.0000 52208.1801 -108870.3458 300.0411 -161078.5259 -108505.6248 299.8743 -117.9154 -89.0199 762846.2905 4.6070 4.5195 PRESSURE: 1971600 -222.089 105.998 168.911 105.999 -237.876 -117.588 168.911 -117.587 -193.424 GPRESSURE: 1971600 -178.715 111.29 212.9 110.721 -161.883 -109.42 165.94 -225.342 -234.525 PRESSAVG: 1971600 7.11317 0.950055 32.0386 0.950029 -0.648701 -2.04654 32.0386 -2.04651 3.12742 GPRESSAVG: 1971600 6.18713 1.17292 33.1805 0.147808 -0.499134 -1.39474 29.6349 -1.88583 3.42968 TIMING: 1971600 CPU: 6232.5, 0.00314151/step Wall: 6232.5, 0.00314151/step, 2.64271 hours remaining, 238.667969 MB of memory in use. ENERGY: 1971600 3972.8004 20637.5329 14485.3991 249.6623 -202690.6405 2305.6395 0.0000 0.0000 52171.7788 -108867.8275 299.8319 -161039.6063 -108501.3394 299.7613 -217.7964 -191.7077 763823.4864 3.1973 3.0392 PRESSURE: 1971800 222.168 53.6663 6.18242 53.6666 36.1384 98.2916 6.18318 98.2913 431.072 GPRESSURE: 1971800 292.607 -21.4243 71.3961 51.2242 56.5814 117.371 55.2662 34.5304 435.14 PRESSAVG: 1971800 -30.3336 -16.1744 29.4307 -16.1744 51.1569 -3.48599 29.4308 -3.48599 9.61526 GPRESSAVG: 1971800 -31.1319 -16.4157 31.0464 -16.4644 50.8082 -3.61588 30.2343 -3.3338 10.4856 TIMING: 1971800 CPU: 6233.13, 0.00314181/step Wall: 6233.13, 0.00314181/step, 2.64279 hours remaining, 238.667969 MB of memory in use. ENERGY: 1971800 4059.5628 20464.7958 14395.1073 255.2675 -203725.7262 3017.6263 0.0000 0.0000 52259.8573 -109273.5092 300.3381 -161533.3665 -108907.0259 299.8304 229.7927 261.4428 761639.9101 10.1462 10.0540 PRESSURE: 1972000 237.111 62.9197 -151.703 62.9183 62.3939 -71.3512 -151.702 -71.3531 -151.141 GPRESSURE: 1972000 214.014 44.4506 -139.315 -84.3588 164.601 -46.545 -82.379 -127.587 -162.363 PRESSAVG: 1972000 -55.57 18.3763 60.0427 18.3763 25.2194 -59.2801 60.0427 -59.2801 0.462175 GPRESSAVG: 1972000 -54.9453 17.1318 59.5187 17.6977 25.4448 -60.523 60.5245 -58.4955 -0.263087 TIMING: 1972000 CPU: 6233.76, 0.00314197/step Wall: 6233.76, 0.00314197/step, 2.64274 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: 1972000 3951.5294 20520.7055 14435.1470 240.4897 -203132.8574 2612.1200 0.0000 0.0000 52039.6887 -109333.1771 299.0728 -161372.8658 -108974.9828 299.2563 49.4547 72.0839 761764.5095 -9.9628 -9.9212 PRESSURE: 1972200 -532.704 79.8612 56.6659 79.8609 -200.07 -62.5447 56.6659 -62.5445 342.245 GPRESSURE: 1972200 -487.246 47.9492 -39.5951 135.649 -92.2467 -45.2782 62.2819 -55.3728 277.584 PRESSAVG: 1972200 41.988 14.071 -7.32791 14.071 -33.6532 -27.3438 -7.32785 -27.3437 -21.0383 GPRESSAVG: 1972200 41.9973 14.9165 -8.56055 13.7852 -34.1317 -27.1586 -5.6503 -26.8367 -21.3495 TIMING: 1972200 CPU: 6234.39, 0.00314721/step Wall: 6234.39, 0.00314721/step, 2.64698 hours remaining, 238.667969 MB of memory in use. ENERGY: 1972200 3929.2316 20686.3135 14406.5189 254.7112 -203134.8056 2552.4718 0.0000 0.0000 51870.5341 -109435.0245 298.1007 -161305.5586 -109076.9398 299.1274 -130.1765 -100.6363 763008.0558 -4.2345 -4.4946 LDB: ============= START OF LOAD BALANCING ============== 6246.92 LDB: ============== END OF LOAD BALANCING =============== 6246.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6246.92 LDB: ============= START OF LOAD BALANCING ============== 6247.23 LDB: Largest compute 7026 load 0.030909 is 15.8% of average load 0.195461 LDB: Average compute 0.004361 is 2.2% of average load 0.195461 LDB: TIME 6247.24 LOAD: AVG 0.195461 MAX 0.218453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.375 MB LDB: TIME 6247.24 LOAD: AVG 0.195461 MAX 0.218453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.574 MB LDB: TIME 6247.24 LOAD: AVG 0.195461 MAX 0.215981 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.574 MB LDB: ============== END OF LOAD BALANCING =============== 6247.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6247.25 PRESSURE: 1972400 37.5099 78.8519 -14.4339 78.8524 -435.428 82.0389 -14.4338 82.0402 -321.926 GPRESSURE: 1972400 48.8378 46.8777 -86.8871 52.9067 -297.352 245.111 84.8788 -42.8048 -389.066 PRESSAVG: 1972400 -16.3508 4.26214 -23.7487 4.26215 14.6128 -39.2794 -23.7486 -39.2794 16.0882 GPRESSAVG: 1972400 -16.7322 3.97831 -23.6433 5.03888 15.1453 -39.2823 -25.8144 -39.2454 16.0067 TIMING: 1972400 CPU: 6235.03, 0.00320282/step Wall: 6235.03, 0.00320282/step, 2.69357 hours remaining, 237.062500 MB of memory in use. ENERGY: 1972400 3986.4044 20613.8772 14498.8689 266.9835 -203131.2493 2342.9404 0.0000 0.0000 51904.9029 -109517.2720 298.2982 -161422.1749 -109154.0823 298.7155 -239.9482 -212.5268 763088.0935 4.7834 4.8066 PRESSURE: 1972600 108.035 -114.773 327.608 -114.774 286.752 131.791 327.609 131.792 127.987 GPRESSURE: 1972600 185.528 -16.9985 278.583 -123.873 310.22 51.3777 237.525 187.996 121.251 PRESSAVG: 1972600 -17.475 3.89796 -13.3045 3.89796 -9.70096 11.3985 -13.3046 11.3986 -7.40558 GPRESSAVG: 1972600 -16.3442 5.16043 -13.668 2.72911 -10.6174 10.61 -13.1998 13.2318 -7.50729 TIMING: 1972600 CPU: 6235.66, 0.0031442/step Wall: 6235.66, 0.0031442/step, 2.6441 hours remaining, 237.261719 MB of memory in use. ENERGY: 1972600 4039.3196 20524.2133 14383.3582 266.9896 -203535.6495 2867.3500 0.0000 0.0000 52067.2455 -109387.1733 299.2312 -161454.4188 -109031.6870 298.6959 174.2581 205.6667 761698.5353 -11.5272 -11.4896 PRESSURE: 1972800 -145.573 -223.098 -57.4694 -223.098 -20.8732 -221.29 -57.4698 -221.292 87.4647 GPRESSURE: 1972800 -57.3203 -185.73 25.9481 -238.355 -20.0652 -153.351 11.5915 -156.98 71.276 PRESSAVG: 1972800 -60.5558 -14.809 -0.613467 -14.8091 71.1524 2.34643 -0.613503 2.34636 21.5409 GPRESSAVG: 1972800 -61.0526 -16.2362 -0.0852989 -12.7947 71.2494 3.92311 -1.01123 1.69397 21.8932 TIMING: 1972800 CPU: 6236.29, 0.0031418/step Wall: 6236.29, 0.0031418/step, 2.64191 hours remaining, 237.261719 MB of memory in use. ENERGY: 1972800 4003.0352 20427.8845 14467.2085 238.6721 -203162.3622 2776.3076 0.0000 0.0000 51920.3224 -109328.9319 298.3868 -161249.2542 -108975.6775 299.1206 -26.3273 -2.0365 762265.6508 10.7125 10.6966 PRESSURE: 1973000 30.6673 141.004 -361.799 141.006 285.897 -58.6439 -361.8 -58.6433 -156.27 GPRESSURE: 1973000 92.2693 105.297 -459.688 95.8602 328.491 -73.3347 -150.185 11.7142 -166.537 PRESSAVG: 1973000 8.71142 -8.86891 -6.51241 -8.86893 40.2688 1.946 -6.51243 1.946 1.88996 GPRESSAVG: 1973000 9.48733 -9.53994 -7.46923 -9.19511 39.4927 0.874891 -5.38177 1.65473 1.94981 TIMING: 1973000 CPU: 6236.91, 0.00313004/step Wall: 6236.91, 0.00313004/step, 2.63184 hours remaining, 237.261719 MB of memory in use. ENERGY: 1973000 4002.7401 20633.7914 14442.0978 256.8403 -203930.3309 3124.2289 0.0000 0.0000 52020.5298 -109450.1026 298.9627 -161470.6324 -109086.4500 299.5037 53.4313 84.7413 761075.0977 16.9567 16.9766 PRESSURE: 1973200 -208.816 24.0939 96.9921 24.0942 -356.289 5.56891 96.9931 5.57021 -112.073 GPRESSURE: 1973200 -241.055 111.233 118.913 -91.8874 -315.317 -59.9831 73.5785 -53.6466 -68.0492 PRESSAVG: 1973200 -4.53028 3.82453 36.3479 3.82459 48.7476 -11.1903 36.3479 -11.1902 -13.1686 GPRESSAVG: 1973200 -5.11021 3.73194 37.9685 4.14201 49.468 -10.9719 36.4052 -11.7214 -14.0676 TIMING: 1973200 CPU: 6237.54, 0.00313752/step Wall: 6237.54, 0.00313752/step, 2.63796 hours remaining, 237.261719 MB of memory in use. ENERGY: 1973200 3945.2294 20693.9877 14493.1457 229.3611 -202997.6091 2463.2217 0.0000 0.0000 51806.2472 -109366.4163 297.7312 -161172.6635 -109002.1270 298.7628 -225.7260 -208.1405 764105.1201 10.3496 10.0967 PRESSURE: 1973400 -242.833 -123.811 -47.4911 -123.812 -56.6699 273.779 -47.4906 273.78 307.689 GPRESSURE: 1973400 -116.842 -157.819 26.1864 -34.0787 -43.4399 215.907 -6.53182 240.753 257.953 PRESSAVG: 1973400 -19.0148 -39.6089 -6.68677 -39.6089 25.3882 -39.4542 -6.6868 -39.4542 5.76511 GPRESSAVG: 1973400 -19.8621 -38.4559 -7.90337 -39.2001 26.4509 -39.1246 -6.61185 -38.6575 6.39742 TIMING: 1973400 CPU: 6238.17, 0.00313178/step Wall: 6238.17, 0.00313178/step, 2.63296 hours remaining, 237.406250 MB of memory in use. ENERGY: 1973400 3933.8585 20526.3141 14475.3036 266.8894 -202920.6003 2411.2377 0.0000 0.0000 51917.7584 -109389.2387 298.3721 -161306.9970 -109023.2011 298.8774 2.7286 32.5568 765218.2096 4.0462 4.3287 PRESSURE: 1973600 -545.368 37.5911 78.1282 37.5924 -171.339 -54.847 78.1281 -54.8468 -405.251 GPRESSURE: 1973600 -486.723 112.593 97.0721 3.04524 -152.859 -82.5235 48.308 -25.4857 -401.824 PRESSAVG: 1973600 35.6523 -12.7837 14.6551 -12.7837 -14.9424 -11.2189 14.6551 -11.2189 -0.0216976 GPRESSAVG: 1973600 36.4915 -12.2291 14.1616 -14.9765 -16.0473 -12.1421 15.1063 -11.2133 -0.168212 TIMING: 1973600 CPU: 6238.79, 0.00313199/step Wall: 6238.79, 0.00313199/step, 2.63296 hours remaining, 237.406250 MB of memory in use. ENERGY: 1973600 4055.4480 20583.3940 14332.2471 267.6843 -203295.2493 2614.5267 0.0000 0.0000 51908.0946 -109533.8546 298.3165 -161441.9493 -109165.6115 298.5358 -373.9861 -347.1355 765677.1334 6.8961 6.7587 PRESSURE: 1973800 27.6657 -80.5104 -263.557 -80.5095 101.99 -57.358 -263.557 -57.3579 204.257 GPRESSURE: 1973800 51.6055 -3.07228 -183.802 52.2153 129.585 -97.9321 -254.77 -145.203 234.482 PRESSAVG: 1973800 12.3159 -30.995 -3.61697 -30.995 -16.2914 -46.4421 -3.61704 -46.4421 9.63158 GPRESSAVG: 1973800 13.6218 -32.4694 -1.86391 -30.3214 -16.9528 -47.7504 -5.76967 -46.7354 9.26742 TIMING: 1973800 CPU: 6239.42, 0.00314707/step Wall: 6239.42, 0.00314707/step, 2.64546 hours remaining, 237.406250 MB of memory in use. ENERGY: 1973800 3997.8631 20504.5189 14439.5814 249.2282 -203673.4739 2859.8593 0.0000 0.0000 51852.6018 -109769.8211 297.9976 -161622.4230 -109408.6698 298.3853 111.3040 138.5574 761512.3747 1.8854 1.9788 PRESSURE: 1974000 -89.4657 -46.7639 197.059 -46.7646 98.4959 62.0174 197.059 62.0166 34.2756 GPRESSURE: 1974000 -56.4265 -35.3531 153.545 -215.182 86.4081 43.9924 60.7639 20.8485 95.1267 PRESSAVG: 1974000 -13.8738 2.12782 60.7596 2.12781 2.66506 -51.8529 60.7596 -51.8529 29.0153 GPRESSAVG: 1974000 -14.1104 3.24582 61.4475 3.17978 1.99658 -50.7112 62.0398 -52.7995 29.3243 TIMING: 1974000 CPU: 6240.05, 0.00314716/step Wall: 6240.05, 0.00314716/step, 2.64537 hours remaining, 237.406250 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: 1974000 3927.5007 20682.1178 14382.7400 219.5099 -203838.2998 2912.1130 0.0000 0.0000 52022.1474 -109692.1710 298.9720 -161714.3185 -109334.8007 298.1348 14.4353 41.7028 762720.8979 5.9355 5.7368 PRESSURE: 1974200 -67.3628 85.0468 132.573 85.0473 -252.534 110.166 132.573 110.165 131.569 GPRESSURE: 1974200 -11.7754 1.29673 125.413 -14.0318 -250.336 9.07174 107.496 177.38 188.078 PRESSAVG: 1974200 24.258 -63.7246 30.4905 -63.7246 -0.675694 31.4864 30.4905 31.4863 5.37005 GPRESSAVG: 1974200 22.3424 -61.8983 29.6233 -66.0648 1.53994 32.6709 30.5037 30.6401 5.38895 TIMING: 1974200 CPU: 6240.68, 0.00314866/step Wall: 6240.68, 0.00314866/step, 2.64645 hours remaining, 237.406250 MB of memory in use. ENERGY: 1974200 4018.0373 20459.9795 14494.4817 256.4773 -203545.8631 2664.1529 0.0000 0.0000 51952.7589 -109699.9755 298.5732 -161652.7344 -109337.3133 298.7240 -62.7761 -24.6779 762298.9293 9.6508 9.7571 PRESSURE: 1974400 -40.6866 -268.581 -4.74266 -268.581 -482.239 -78.5865 -4.74327 -78.587 -220.93 GPRESSURE: 1974400 39.9124 -321.002 -66.2482 -181.866 -484.855 -25.8879 -69.3499 -31.6121 -205.527 PRESSAVG: 1974400 12.1395 -34.2237 22.8914 -34.2236 -32.9629 8.39349 22.8915 8.39347 29.1377 GPRESSAVG: 1974400 12.8554 -33.9354 22.8388 -33.0505 -33.9839 8.08389 20.0225 10.0775 28.9446 TIMING: 1974400 CPU: 6241.31, 0.00315737/step Wall: 6241.31, 0.00315737/step, 2.65359 hours remaining, 237.406250 MB of memory in use. ENERGY: 1974400 3939.0606 20596.1329 14437.8380 239.8278 -203689.2644 2594.4511 0.0000 0.0000 52299.6807 -109582.2733 300.5670 -161881.9540 -109208.4114 298.6983 -247.9519 -216.8231 762494.8169 2.7714 2.6054 PRESSURE: 1974600 187.125 64.5683 46.5885 64.5686 162.749 42.161 46.589 42.1607 4.9548 GPRESSURE: 1974600 169.724 54.5017 26.0187 116.441 216.349 8.67864 71.0637 137.892 48.7423 PRESSAVG: 1974600 13.9625 23.147 -16.8127 23.147 12.6118 -33.2765 -16.8127 -33.2765 -10.9726 GPRESSAVG: 1974600 14.73 21.2333 -16.5467 24.3333 12.031 -33.1588 -16.0255 -33.4979 -11.3781 TIMING: 1974600 CPU: 6241.94, 0.00313782/step Wall: 6241.94, 0.00313782/step, 2.63699 hours remaining, 237.406250 MB of memory in use. ENERGY: 1974600 4008.6153 20457.4149 14435.7633 243.8143 -203892.1909 3045.8667 0.0000 0.0000 51970.1856 -109730.5306 298.6734 -161700.7162 -109371.9543 298.6811 118.2762 144.9384 762082.5855 5.2006 5.1276 PRESSURE: 1974800 -239.705 21.5948 9.61107 21.5948 -184.085 11.7543 9.61077 11.7531 -47.8942 GPRESSURE: 1974800 -294.344 70.508 21.6863 213.336 -115.114 -37.3512 53.8638 62.5933 20.0404 PRESSAVG: 1974800 -17.345 4.22175 29.0398 4.2218 45.0703 36.6059 29.0398 36.6059 9.02534 GPRESSAVG: 1974800 -17.9213 4.45987 29.2626 3.53846 44.5442 35.401 32.0745 36.1097 9.82659 TIMING: 1974800 CPU: 6242.57, 0.003146/step Wall: 6242.57, 0.003146/step, 2.64369 hours remaining, 237.406250 MB of memory in use. ENERGY: 1974800 3977.2241 20597.1209 14490.7721 260.9486 -203480.4836 2738.3098 0.0000 0.0000 51663.2953 -109752.8127 296.9097 -161416.1081 -109384.8942 297.6603 -157.2283 -129.8056 762630.7577 12.2502 12.1499 PRESSURE: 1975000 -51.6753 39.921 -255.266 39.921 -98.8597 -151.9 -255.265 -151.901 136.027 GPRESSURE: 1975000 -3.97078 120.683 -238.769 -34.3338 -53.2142 -73.2137 -252.028 -59.6317 131.524 PRESSAVG: 1975000 15.3764 48.9457 1.89647 48.9457 13.0733 20.7439 1.89652 20.7439 10.5532 GPRESSAVG: 1975000 14.6585 49.0909 0.188578 49.7799 14.4324 23.0267 1.10406 20.8996 9.91058 TIMING: 1975000 CPU: 6243.2, 0.00314408/step Wall: 6243.2, 0.00314408/step, 2.6419 hours remaining, 237.406250 MB of memory in use. ENERGY: 1975000 3895.2042 20564.9814 14470.0651 250.0400 -203405.2498 2474.8888 0.0000 0.0000 51926.3076 -109823.7626 298.4212 -161750.0703 -109463.1329 298.5805 -4.8360 24.7798 762476.0723 13.0009 13.0005 PRESSURE: 1975200 -43.5144 42.2031 -115.68 42.2032 317.903 -64.6219 -115.681 -64.6216 115.563 GPRESSURE: 1975200 -68.8849 -32.5982 -110.175 129.888 333.415 -36.8588 -30.9027 -2.68619 224.709 PRESSAVG: 1975200 49.7652 34.1842 -5.54741 34.1842 -41.205 34.5129 -5.54743 34.5129 -14.5223 GPRESSAVG: 1975200 50.3083 33.8642 -4.74662 34.7914 -40.5387 34.3298 -6.36529 34.6427 -15.3855 TIMING: 1975200 CPU: 6243.83, 0.00315224/step Wall: 6243.83, 0.00315224/step, 2.64858 hours remaining, 237.406250 MB of memory in use. ENERGY: 1975200 3911.5888 20417.5162 14465.2214 245.1983 -203637.2994 2823.0709 0.0000 0.0000 52106.5012 -109668.2027 299.4568 -161774.7039 -109304.2055 298.7664 129.9841 163.0795 761528.2431 -1.9874 -1.8719 PRESSURE: 1975400 -11.2136 -140.151 -149.631 -140.151 -112.784 101.258 -149.632 101.258 169.797 GPRESSURE: 1975400 -24.3872 -54.0498 -216.407 15.5615 -25.9069 155.604 -67.6682 99.1978 166.698 PRESSAVG: 1975400 53.9375 36.7782 10.7523 36.7782 -28.3667 -23.8695 10.7523 -23.8695 1.30969 GPRESSAVG: 1975400 53.9205 37.0342 9.00301 36.2298 -28.6608 -24.3646 11.8101 -23.9976 1.86633 TIMING: 1975400 CPU: 6244.46, 0.00313649/step Wall: 6244.46, 0.00313649/step, 2.63517 hours remaining, 237.406250 MB of memory in use. ENERGY: 1975400 3941.4288 20685.9746 14455.9667 251.9704 -203687.0238 2700.2555 0.0000 0.0000 51884.2059 -109767.2219 298.1792 -161651.4278 -109408.3963 298.6961 15.2663 38.8012 763534.7209 8.9602 9.0420 PRESSURE: 1975600 233.862 -120.478 -60.1093 -120.477 29.1718 88.8854 -60.1092 88.8852 509.202 GPRESSURE: 1975600 293.404 -169.562 -120.552 -108.244 -7.51679 74.4919 -39.4886 21.0306 556.149 PRESSAVG: 1975600 0.452965 -23.4372 12.466 -23.4371 25.5893 -12.1923 12.466 -12.1922 -5.40166 GPRESSAVG: 1975600 1.77232 -23.7202 13.1645 -24.6189 24.043 -12.9543 11.8342 -11.4935 -4.78725 TIMING: 1975600 CPU: 6245.08, 0.00314825/step Wall: 6245.08, 0.00314825/step, 2.64488 hours remaining, 237.406250 MB of memory in use. ENERGY: 1975600 3920.3119 20518.2223 14410.8780 257.2280 -203905.2051 3072.3493 0.0000 0.0000 52124.5470 -109601.6686 299.5605 -161726.2156 -109234.6113 298.8202 257.4120 280.6790 763963.0887 6.8802 7.0094 PRESSURE: 1975800 -35.3477 -226.226 100.638 -226.225 -176.26 -38.9439 100.637 -38.9444 168.713 GPRESSURE: 1975800 28.5289 -107.757 150.586 -225.358 -153.053 -54.3267 96.6746 -88.8882 143.936 PRESSAVG: 1975800 38.6426 -15.6102 15.9593 -15.6101 5.39883 27.3708 15.9593 27.3708 12.7765 GPRESSAVG: 1975800 38.9211 -15.1369 17.506 -14.1535 5.53555 27.4296 13.8103 25.5267 12.335 TIMING: 1975800 CPU: 6245.72, 0.00315974/step Wall: 6245.72, 0.00315974/step, 2.65436 hours remaining, 237.406250 MB of memory in use. ENERGY: 1975800 3947.4685 20511.4033 14532.3468 263.8632 -203359.0335 2801.9376 0.0000 0.0000 51925.5540 -109376.4600 298.4169 -161302.0140 -109008.6409 299.0411 -14.2981 6.4709 764742.8323 18.9393 18.9306 PRESSURE: 1976000 -145.044 -95.4491 -70.0376 -95.4493 -238.124 -158.765 -70.0377 -158.765 -267.62 GPRESSURE: 1976000 -193.224 -99.6974 -101.368 -175.58 -142.813 -86.6922 -152.959 62.93 -200.225 PRESSAVG: 1976000 34.0192 -16.6702 42.7811 -16.6702 -18.2178 -6.91079 42.7811 -6.91089 14.6258 GPRESSAVG: 1976000 33.0628 -16.493 42.4161 -18.069 -17.8351 -6.67635 46.1666 -6.85565 15.5985 TIMING: 1976000 CPU: 6246.35, 0.00314589/step Wall: 6246.35, 0.00314589/step, 2.64255 hours remaining, 237.406250 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: 1976000 4050.6261 20502.8985 14535.4562 231.1544 -203353.6761 2612.3745 0.0000 0.0000 52070.0974 -109351.0689 299.2476 -161421.1663 -109001.8843 299.5446 -216.9296 -178.7540 763640.6122 10.1424 10.2754 PRESSURE: 1976200 211.727 151.021 50.1514 151.023 156.413 1.98871 50.1506 1.98973 -58.1536 GPRESSURE: 1976200 150.323 75.7311 -8.82694 252.125 219.455 67.1907 92.7259 -95.6314 21.9066 PRESSAVG: 1976200 38.0764 15.1805 8.98731 15.1804 -1.25058 21.5396 8.9873 21.5396 7.44689 GPRESSAVG: 1976200 37.0083 13.8985 7.05693 14.7341 -0.113875 21.5925 8.81075 22.9963 7.2287 TIMING: 1976200 CPU: 6246.97, 0.00313329/step Wall: 6246.97, 0.00313329/step, 2.63179 hours remaining, 237.406250 MB of memory in use. ENERGY: 1976200 3902.0777 20363.1950 14544.3254 253.0290 -203504.9176 3007.8603 0.0000 0.0000 52052.5378 -109381.8924 299.1467 -161434.4301 -109000.6397 299.0173 103.3289 130.5615 763697.3667 14.7576 14.7077 LDB: ============= START OF LOAD BALANCING ============== 6259.5 LDB: ============== END OF LOAD BALANCING =============== 6259.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6259.51 LDB: ============= START OF LOAD BALANCING ============== 6259.82 LDB: Largest compute 7073 load 0.029222 is 14.9% of average load 0.195485 LDB: Average compute 0.004373 is 2.2% of average load 0.195485 LDB: TIME 6259.82 LOAD: AVG 0.195485 MAX 0.217783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 6259.83 LOAD: AVG 0.195485 MAX 0.217783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: TIME 6259.83 LOAD: AVG 0.195485 MAX 0.217783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.301 MB LDB: ============== END OF LOAD BALANCING =============== 6259.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6259.83 PRESSURE: 1976400 -134.281 -181.098 -114.981 -181.098 -63.7574 -33.7143 -114.981 -33.7154 19.3964 GPRESSURE: 1976400 -92.4794 -124.617 -68.8239 -6.99028 -33.7744 -47.1855 -61.5608 1.30915 23.4991 PRESSAVG: 1976400 0.215024 -2.94781 0.934163 -2.94787 -16.7156 -8.10456 0.93411 -8.10451 -37.3446 GPRESSAVG: 1976400 2.07189 -1.62036 0.551679 -0.844797 -17.5087 -10.133 2.09005 -10.4815 -38.602 TIMING: 1976400 CPU: 6247.62, 0.00321605/step Wall: 6247.62, 0.00321605/step, 2.70112 hours remaining, 234.941406 MB of memory in use. ENERGY: 1976400 3976.0738 20561.7691 14393.7792 234.7225 -203281.1914 2711.3454 0.0000 0.0000 51935.6183 -109467.8831 298.4747 -161403.5014 -109107.1875 299.0145 -59.5474 -34.2516 764939.2068 -17.9484 -18.0129 PRESSURE: 1976600 -453.494 39.6209 -101.976 39.6205 -386.407 131.32 -101.976 131.32 -555.861 GPRESSURE: 1976600 -430.601 -13.8671 -140.51 32.5334 -352.515 115.688 -130.372 125.403 -538.103 PRESSAVG: 1976600 -73.6239 -10.3805 21.5588 -10.3805 40.6848 23.4303 21.5587 23.4303 3.84832 GPRESSAVG: 1976600 -74.6841 -11.73 23.4825 -10.5958 41.3142 24.861 19.7595 26.7214 4.58082 TIMING: 1976600 CPU: 6248.25, 0.00315262/step Wall: 6248.25, 0.00315262/step, 2.64768 hours remaining, 235.144531 MB of memory in use. ENERGY: 1976600 4097.0352 20484.4484 14522.7085 255.5982 -203613.1804 2711.9430 0.0000 0.0000 51949.8936 -109591.5535 298.5568 -161541.4471 -109223.6290 298.8742 -465.2540 -440.4060 764495.5830 -9.6969 -9.5964 PRESSURE: 1976800 -229.375 106.297 -67.2257 106.297 275.348 -87.7483 -67.2259 -87.7469 64.4649 GPRESSURE: 1976800 -146.434 23.3487 3.05282 94.9349 284.368 -32.222 -107.972 -32.746 31.8029 PRESSAVG: 1976800 -78.033 -0.705931 -41.3698 -0.705992 54.0943 4.57527 -41.3698 4.57531 -3.29485 GPRESSAVG: 1976800 -78.2848 -0.561274 -41.7557 -1.14474 54.0592 5.60258 -39.3411 2.91607 -3.14725 TIMING: 1976800 CPU: 6248.88, 0.0031653/step Wall: 6248.88, 0.0031653/step, 2.65815 hours remaining, 235.144531 MB of memory in use. ENERGY: 1976800 4002.9004 20599.1262 14462.5871 246.9052 -203514.4224 2527.6188 0.0000 0.0000 52099.0956 -109576.1891 299.4142 -161675.2847 -109210.2205 298.8467 36.8129 56.5787 762523.1329 -9.0778 -9.1243 PRESSURE: 1977000 -104.783 -29.1968 23.367 -29.1966 36.0837 -91.7424 23.3663 -91.7422 -252.248 GPRESSURE: 1977000 -97.0842 -9.20997 4.55349 28.7772 114.522 -122.725 -62.9881 -43.2726 -260.838 PRESSAVG: 1977000 -4.3717 -37.4267 10.3521 -37.4267 48.32 -25.2019 10.352 -25.2019 0.850234 GPRESSAVG: 1977000 -4.10316 -37.3099 10.8854 -38.7813 47.6065 -24.5027 7.03554 -24.7228 1.51297 TIMING: 1977000 CPU: 6249.51, 0.00314577/step Wall: 6249.51, 0.00314577/step, 2.64157 hours remaining, 235.355469 MB of memory in use. ENERGY: 1977000 3984.1257 20727.6386 14451.4606 226.9380 -203170.3030 2285.7430 0.0000 0.0000 52054.3910 -109440.0061 299.1573 -161494.3971 -109083.6454 299.2543 -106.9823 -81.1333 762208.6261 14.9328 15.0054 PRESSURE: 1977200 -152.743 -92.5901 -255.804 -92.5896 0.69905 73.8355 -255.804 73.835 -92.482 GPRESSURE: 1977200 -109.147 -40.4053 -250.02 -47.4751 124.949 78.5426 -160.678 63.6446 -175.486 PRESSAVG: 1977200 -34.4495 -10.6941 15.5198 -10.6942 23.3854 -36.9689 15.5198 -36.9689 8.13135 GPRESSAVG: 1977200 -35.0979 -10.8202 14.9693 -8.86143 24.0479 -38.6419 20.3816 -38.7784 8.00573 TIMING: 1977200 CPU: 6250.14, 0.00315048/step Wall: 6250.14, 0.00315048/step, 2.64535 hours remaining, 235.355469 MB of memory in use. ENERGY: 1977200 4044.6139 20543.8247 14488.6679 249.5746 -203763.1598 2863.8765 0.0000 0.0000 52008.0033 -109564.5988 298.8907 -161572.6022 -109209.9373 299.5814 -81.5087 -53.2279 761536.5090 -0.9776 -1.0147 PRESSURE: 1977400 -46.2475 -18.3787 244.659 -18.3787 -163.93 -166.35 244.659 -166.351 -52.1092 GPRESSURE: 1977400 86.3197 48.7047 242.066 3.79797 -184.217 -168.844 75.7249 -102.337 -63.4329 PRESSAVG: 1977400 44.9302 -14.7754 13.8197 -14.7755 -14.7446 -11.6224 13.8197 -11.6224 -5.33754 GPRESSAVG: 1977400 45.5198 -14.591 13.3258 -15.6429 -15.359 -12.2681 10.3236 -9.95274 -5.65798 TIMING: 1977400 CPU: 6250.77, 0.00314583/step Wall: 6250.77, 0.00314583/step, 2.64127 hours remaining, 235.343750 MB of memory in use. ENERGY: 1977400 4009.4216 20556.6984 14382.0636 261.1769 -203668.6349 2780.7673 0.0000 0.0000 52097.2640 -109581.2431 299.4037 -161678.5071 -109226.9546 298.9753 -87.4289 -53.7767 763053.7948 8.2827 8.1676 PRESSURE: 1977600 -130.519 -124.516 84.7134 -124.516 69.5521 -40.8929 84.714 -40.8926 -94.0449 GPRESSURE: 1977600 -55.2115 -116.633 96.2272 -177.221 10.9408 -51.0695 87.6647 94.061 -34.0659 PRESSAVG: 1977600 -50.0412 -20.327 -25.2336 -20.3269 30.1546 0.539271 -25.2336 0.539315 -1.4996 GPRESSAVG: 1977600 -49.5002 -18.7168 -24.7945 -23.2062 30.0332 0.942363 -25.3133 2.86988 -1.8814 TIMING: 1977600 CPU: 6251.4, 0.00314558/step Wall: 6251.4, 0.00314558/step, 2.64089 hours remaining, 235.343750 MB of memory in use. ENERGY: 1977600 4012.7825 20660.4536 14383.0345 238.0495 -203304.6446 2653.6748 0.0000 0.0000 51837.7653 -109518.8845 297.9123 -161356.6497 -109159.7479 298.2979 -51.6705 -26.1122 762185.4525 -7.1287 -7.1162 PRESSURE: 1977800 -188.649 -103.114 -313.276 -103.113 -209.919 86.9352 -313.277 86.9348 -207.695 GPRESSURE: 1977800 -139.809 -75.9571 -335.297 -1.29362 -128.653 38.3851 -178.804 22.2995 -268.161 PRESSAVG: 1977800 25.4311 -38.1501 -25.1761 -38.1501 -30.1361 -7.39776 -25.1762 -7.39779 12.033 GPRESSAVG: 1977800 24.6203 -39.5433 -24.7524 -35.8266 -30.6032 -6.77977 -23.0167 -9.04327 13.3923 TIMING: 1977800 CPU: 6252.03, 0.00315797/step Wall: 6252.03, 0.00315797/step, 2.65112 hours remaining, 235.343750 MB of memory in use. ENERGY: 1977800 4036.2706 20597.3482 14418.9909 239.4428 -203452.0232 2727.5362 0.0000 0.0000 52034.8596 -109397.5750 299.0451 -161432.4346 -109036.1253 298.9774 -202.0876 -178.8741 763673.0279 2.4427 2.4698 PRESSURE: 1978000 -59.2165 -29.1137 41.9007 -29.1134 -148.402 -191.352 41.8999 -191.352 -10.3975 GPRESSURE: 1978000 15.2447 20.5637 67.1139 -73.2431 -73.6816 -95.9986 -0.0673521 -43.5053 -85.0944 PRESSAVG: 1978000 -39.6798 -23.6064 2.22283 -23.6064 31.7229 -19.7438 2.22288 -19.7438 19.4362 GPRESSAVG: 1978000 -40.0919 -24.172 2.19321 -24.0017 32.4895 -21.2742 2.09598 -17.1251 18.4948 TIMING: 1978000 CPU: 6252.66, 0.00314329/step Wall: 6252.66, 0.00314329/step, 2.63862 hours remaining, 235.343750 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: 1978000 3994.7042 20458.0367 14454.5389 237.4431 -203447.5546 2821.0230 0.0000 0.0000 52170.9227 -109310.8860 299.8270 -161481.8088 -108942.3403 298.9125 -72.6721 -47.8438 762678.9704 3.8264 3.6308 PRESSURE: 1978200 23.9171 169.075 16.6855 169.075 -59.6582 34.8947 16.6862 34.8938 -354.157 GPRESSURE: 1978200 9.17418 127.854 66.3081 125.967 -78.3881 124.475 -19.2315 152.942 -239.815 PRESSAVG: 1978200 -2.06065 47.1176 -37.3597 47.1175 -11.8282 10.7171 -37.3597 10.7171 4.26294 GPRESSAVG: 1978200 -3.15445 45.9428 -35.5917 48.4712 -10.7554 12.9572 -38.2618 9.06451 3.97722 TIMING: 1978200 CPU: 6253.29, 0.00315503/step Wall: 6253.29, 0.00315503/step, 2.64829 hours remaining, 235.343750 MB of memory in use. ENERGY: 1978200 4011.9510 20494.4520 14462.9999 250.6774 -203150.6361 2469.1188 0.0000 0.0000 52201.6851 -109259.7519 300.0038 -161461.4370 -108907.9169 299.3744 -129.9659 -103.0095 762082.2884 -3.2086 -3.3109 PRESSURE: 1978400 151.052 -234.701 41.019 -234.702 -323.822 -61.6326 41.0187 -61.6322 -45.2868 GPRESSURE: 1978400 167.266 -183.103 17.5621 -156.341 -309.776 -75.0851 -79.8915 -60.8534 -0.532915 PRESSAVG: 1978400 5.97423 -11.8497 -1.08641 -11.8498 0.728516 55.7868 -1.08637 55.7869 3.68738 GPRESSAVG: 1978400 6.83874 -9.94493 -0.708917 -11.9922 -0.483606 54.0415 -1.47198 54.4255 4.65352 TIMING: 1978400 CPU: 6253.92, 0.00313726/step Wall: 6253.92, 0.00313726/step, 2.6332 hours remaining, 235.343750 MB of memory in use. ENERGY: 1978400 3995.6015 20475.4551 14439.0173 248.5863 -202988.3265 2455.6020 0.0000 0.0000 52171.3901 -109202.6743 299.8297 -161374.0645 -108839.9393 299.3849 -72.6857 -47.6809 763915.0404 3.4634 3.6696 PRESSURE: 1978600 156.336 38.1226 -51.8986 38.1226 -154.302 -92.5022 -51.8994 -92.5012 267.847 GPRESSURE: 1978600 151.057 62.3249 -104.129 10.1114 -32.3298 -119.767 52.589 -253.347 240.202 PRESSAVG: 1978600 18.0167 -5.28556 -7.76606 -5.28563 -14.0955 -30.2967 -7.76608 -30.2966 4.16314 GPRESSAVG: 1978600 18.4458 -4.13979 -9.69589 -8.00635 -13.1538 -29.4985 -7.87987 -31.1232 3.09141 TIMING: 1978600 CPU: 6254.54, 0.00312791/step Wall: 6254.54, 0.00312791/step, 2.62518 hours remaining, 235.343750 MB of memory in use. ENERGY: 1978600 3890.1889 20603.0858 14506.5127 240.9805 -203117.3293 2714.6695 0.0000 0.0000 51883.8212 -109278.0706 298.1770 -161161.8918 -108920.2632 299.2397 89.9604 119.6429 764023.9974 2.6948 2.7945 PRESSURE: 1978800 110.776 83.3228 177.644 83.3228 52.8713 -149.833 177.644 -149.832 7.02868 GPRESSURE: 1978800 159.466 15.2085 194.865 -58.4254 22.0578 -177.421 103.432 -74.3377 69.1771 PRESSAVG: 1978800 26.6927 65.1618 66.6281 65.1618 2.92577 26.4021 66.6281 26.4021 4.73954 GPRESSAVG: 1978800 25.957 63.4332 66.2291 68.1149 3.05453 27.5663 66.8817 27.3246 5.47035 TIMING: 1978800 CPU: 6255.17, 0.00314641/step Wall: 6255.17, 0.00314641/step, 2.64053 hours remaining, 235.343750 MB of memory in use. ENERGY: 1978800 3934.7682 20476.7686 14441.3019 269.0485 -203427.8579 2903.3066 0.0000 0.0000 51969.9802 -109432.6840 298.6722 -161402.6642 -109057.4222 299.1527 56.8920 83.5669 764129.6263 11.4527 11.4939 PRESSURE: 1979000 -54.7776 -109.658 21.309 -109.659 -189.834 136.119 21.3097 136.12 -346.526 GPRESSURE: 1979000 72.679 2.13561 38.288 -158.481 -198.514 211.322 90.1874 67.1818 -377.842 PRESSAVG: 1979000 -24.8062 -51.2712 10.2661 -51.2712 -26.4973 -0.927754 10.2661 -0.927723 22.0047 GPRESSAVG: 1979000 -24.4036 -50.7577 8.45488 -53.109 -25.9664 -2.55911 10.8134 -2.41022 21.2169 TIMING: 1979000 CPU: 6255.8, 0.00316486/step Wall: 6255.8, 0.00316486/step, 2.65584 hours remaining, 235.343750 MB of memory in use. ENERGY: 1979000 3995.1328 20614.3282 14449.6759 251.8629 -203195.4214 2717.9214 0.0000 0.0000 51889.4817 -109277.0185 298.2096 -161166.5002 -108920.1152 299.1811 -197.0457 -167.8925 764430.1898 -9.7663 -9.7177 PRESSURE: 1979200 -223.475 235.249 255.705 235.25 118.537 -140.496 255.706 -140.496 -38.6448 GPRESSURE: 1979200 -220.282 198.914 355.969 242.294 205.506 -94.9362 206.393 -172.069 -45.545 PRESSAVG: 1979200 -42.2654 49.6325 -44.9934 49.6325 29.5767 25.7205 -44.9934 25.7205 -17.3475 GPRESSAVG: 1979200 -40.7544 49.292 -42.8683 50.5788 28.1051 25.6169 -43.8296 27.3284 -17.1796 TIMING: 1979200 CPU: 6256.44, 0.00315803/step Wall: 6256.44, 0.00315803/step, 2.64994 hours remaining, 235.343750 MB of memory in use. ENERGY: 1979200 3947.8253 20527.3074 14415.2871 260.4891 -203336.5480 2730.2364 0.0000 0.0000 52118.7141 -109336.6886 299.5270 -161455.4027 -108980.1106 299.4319 -47.8609 -20.1069 762303.8277 -10.0121 -9.9430 PRESSURE: 1979400 7.36473 -4.48108 183.497 -4.48212 -355.371 148.272 183.497 148.272 83.8382 GPRESSURE: 1979400 106.914 -3.07362 158.977 -143.619 -434.177 35.4467 249.151 332.258 127.596 PRESSAVG: 1979400 61.84 25.0123 30.0597 25.0122 -43.3047 -15.0269 30.0598 -15.0269 -3.13758 GPRESSAVG: 1979400 60.7695 24.8607 29.3708 23.8414 -43.0849 -13.7926 29.4039 -14.2941 -2.35757 TIMING: 1979400 CPU: 6257.07, 0.00317637/step Wall: 6257.07, 0.00317637/step, 2.66515 hours remaining, 235.343750 MB of memory in use. ENERGY: 1979400 3988.1867 20430.6542 14468.8515 262.9933 -202703.9429 2195.5368 0.0000 0.0000 52182.8965 -109174.8239 299.8958 -161357.7204 -108818.8194 298.9925 -88.0562 -66.5555 762905.7692 5.1326 5.1090 PRESSURE: 1979600 77.7309 49.877 -47.7341 49.8769 -12.4226 25.2462 -47.7339 25.2458 -74.1156 GPRESSURE: 1979600 92.0434 248.152 -118.663 82.7258 102.903 -20.9654 -89.2308 -22.3689 -100.143 PRESSAVG: 1979600 15.9136 34.9014 57.7272 34.9014 -67.0681 61.4544 57.7272 61.4544 12.3894 GPRESSAVG: 1979600 16.9055 34.7757 58.5468 34.4257 -67.9555 61.3258 55.4502 59.8663 11.5258 TIMING: 1979600 CPU: 6257.7, 0.00316495/step Wall: 6257.7, 0.00316495/step, 2.6554 hours remaining, 235.343750 MB of memory in use. ENERGY: 1979600 3865.8113 20390.5233 14397.6546 240.5424 -203287.2340 2702.3556 0.0000 0.0000 52288.5233 -109401.8235 300.5029 -161690.3468 -109033.2288 299.0308 -2.9358 31.6013 761019.0508 -12.9217 -13.1747 PRESSURE: 1979800 -119.463 6.25983 50.7491 6.26062 -85.3569 -289.017 50.7493 -289.018 21.6402 GPRESSURE: 1979800 -90.4061 -7.39511 63.9484 128.262 -13.0291 -267.301 135.064 -93.2923 10.2295 PRESSAVG: 1979800 20.3698 55.9635 -4.35868 55.9635 -21.8427 14.9481 -4.35872 14.9481 -20.6187 GPRESSAVG: 1979800 19.4258 56.0835 -4.82896 58.433 -21.5531 13.687 -1.33246 16.9063 -19.3798 TIMING: 1979800 CPU: 6258.33, 0.00315657/step Wall: 6258.33, 0.00315657/step, 2.64819 hours remaining, 235.343750 MB of memory in use. ENERGY: 1979800 3998.5113 20424.0374 14502.3124 244.3418 -203156.4553 2558.8551 0.0000 0.0000 51859.9413 -109568.4561 298.0398 -161428.3973 -109211.5712 298.8030 -61.0599 -31.0686 762418.9588 -7.3639 -7.1690 PRESSURE: 1980000 59.8617 -109.532 91.927 -109.531 168.269 -309.608 91.9265 -309.608 109.335 GPRESSURE: 1980000 92.8918 -86.6549 112.509 -72.1779 177.95 -275.291 82.793 -366.585 138.55 PRESSAVG: 1980000 17.5155 -1.74673 39.7548 -1.74674 -36.5315 10.3267 39.7549 10.3268 -6.68149 GPRESSAVG: 1980000 17.2047 -1.22205 42.1872 -1.23889 -35.763 10.0988 37.3683 11.2557 -7.44392 TIMING: 1980000 CPU: 6258.97, 0.00316268/step Wall: 6258.97, 0.00316268/step, 2.65314 hours remaining, 235.343750 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: 1980000 4063.4540 20499.6392 14490.6150 239.6241 -203129.4519 2655.6403 0.0000 0.0000 51944.4685 -109236.0108 298.5256 -161180.4793 -108869.3567 298.7363 112.4887 136.4637 763402.5946 -8.5659 -8.6674 PRESSURE: 1980200 130.09 64.3745 -120.26 64.3745 -268.267 45.3661 -120.26 45.3664 85.7655 GPRESSURE: 1980200 189.267 42.8934 -57.3492 -19.1891 -212.705 57.576 -159.155 26.579 62.3381 PRESSAVG: 1980200 75.7735 11.0824 22.475 11.0824 -35.0442 12.2851 22.475 12.2851 -1.43982 GPRESSAVG: 1980200 75.7617 10.634 20.0783 10.1129 -34.465 13.3537 22.1824 10.7023 -2.46265 TIMING: 1980200 CPU: 6259.6, 0.00316371/step Wall: 6259.6, 0.00316371/step, 2.65382 hours remaining, 235.343750 MB of memory in use. ENERGY: 1980200 4081.6528 20645.8158 14472.5065 243.5957 -203367.6662 2762.1481 0.0000 0.0000 52039.8691 -109122.0783 299.0738 -161161.9474 -108766.2307 299.4565 -17.4706 12.9668 763057.6882 13.0965 12.9447 LDB: ============= START OF LOAD BALANCING ============== 6272.13 LDB: ============== END OF LOAD BALANCING =============== 6272.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6272.14 LDB: ============= START OF LOAD BALANCING ============== 6272.45 LDB: Largest compute 7026 load 0.030905 is 15.8% of average load 0.195528 LDB: Average compute 0.004376 is 2.2% of average load 0.195528 LDB: TIME 6272.46 LOAD: AVG 0.195528 MAX 0.218509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 6272.46 LOAD: AVG 0.195528 MAX 0.218509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.191 MB LDB: TIME 6272.46 LOAD: AVG 0.195528 MAX 0.218057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.191 MB LDB: ============== END OF LOAD BALANCING =============== 6272.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6272.46 PRESSURE: 1980400 13.6661 280.038 -137.797 280.038 -266.914 77.2582 -137.798 77.2585 -308.794 GPRESSURE: 1980400 -7.10738 413.318 -175.204 316.696 -229.599 31.7555 -156.755 44.9867 -244.673 PRESSAVG: 1980400 73.6866 36.1387 -42.1908 36.1387 -54.5428 32.1861 -42.191 32.1861 24.2864 GPRESSAVG: 1980400 73.9707 35.5888 -42.5884 36.9538 -55.1553 32.399 -39.37 34.3378 24.6878 TIMING: 1980400 CPU: 6260.25, 0.00323503/step Wall: 6260.25, 0.00323503/step, 2.71347 hours remaining, 234.882812 MB of memory in use. ENERGY: 1980400 4074.7593 20565.4247 14473.7009 239.9266 -203037.9586 2376.4763 0.0000 0.0000 52170.8500 -109136.8209 299.8266 -161307.6709 -108766.5658 299.9225 -187.3475 -160.4597 762629.8252 14.4768 14.5010 PRESSURE: 1980600 -178.538 -102.774 84.0446 -102.775 66.1585 -88.1822 84.0444 -88.1828 -82.2326 GPRESSURE: 1980600 -135.042 -101.565 65.2632 -105.775 70.6996 -50.5458 53.3996 -48.4117 -54.4067 PRESSAVG: 1980600 9.78987 37.9866 -54.4121 37.9866 -22.3059 -16.0294 -54.4121 -16.0294 28.5141 GPRESSAVG: 1980600 9.99006 37.3923 -53.1229 37.1443 -22.4227 -16.0201 -56.5813 -17.1915 28.4469 TIMING: 1980600 CPU: 6260.88, 0.00315378/step Wall: 6260.88, 0.00315378/step, 2.64515 hours remaining, 234.882812 MB of memory in use. ENERGY: 1980600 3936.1453 20539.3239 14462.8048 236.9961 -203159.6719 2531.2515 0.0000 0.0000 52299.5178 -109153.6325 300.5660 -161453.1503 -108774.3780 299.7482 -64.8706 -39.5829 762072.4128 5.3327 5.3381 PRESSURE: 1980800 173.695 314.903 106.763 314.904 289.528 58.4982 106.764 58.4992 219.62 GPRESSURE: 1980800 182.74 378.153 103.797 192.921 322.178 -2.14115 38.4629 71.9245 260.448 PRESSAVG: 1980800 38.1534 8.95938 -17.8002 8.95937 -61.9428 -46.0687 -17.8003 -46.0687 25.2073 GPRESSAVG: 1980800 38.0454 10.2197 -18.5827 8.43534 -62.2514 -47.1585 -17.5715 -46.1793 25.5151 TIMING: 1980800 CPU: 6261.51, 0.00316295/step Wall: 6261.51, 0.00316295/step, 2.65266 hours remaining, 234.882812 MB of memory in use. ENERGY: 1980800 4009.3036 20449.3436 14479.4060 233.6524 -203801.0340 2874.6423 0.0000 0.0000 52320.8320 -109433.8541 300.6885 -161754.6861 -109084.1138 299.5672 227.6143 255.1222 762289.5517 0.4727 0.4364 PRESSURE: 1981000 -95.8224 -92.4599 75.4772 -92.46 111.54 35.4309 75.4775 35.4311 -25.2161 GPRESSURE: 1981000 0.221186 49.1143 44.761 -41.7125 85.0136 75.7045 142.442 -123.121 -9.90431 PRESSAVG: 1981000 22.7842 13.5235 -31.6678 13.5234 -22.983 13.3756 -31.6678 13.3755 -1.43694 GPRESSAVG: 1981000 22.7791 13.9106 -32.6378 13.2578 -22.1453 15.7781 -31.9586 11.0065 -2.39974 TIMING: 1981000 CPU: 6262.14, 0.00314689/step Wall: 6262.14, 0.00314689/step, 2.63902 hours remaining, 234.882812 MB of memory in use. ENERGY: 1981000 3950.8915 20515.9037 14417.3525 240.1500 -203779.5593 2798.8648 0.0000 0.0000 52162.7386 -109693.6581 299.7800 -161856.3967 -109332.8127 298.5641 -3.1663 25.1102 762292.0221 -0.5453 -0.5887 PRESSURE: 1981200 80.9752 107.984 9.67183 107.985 10.8095 54.095 9.67198 54.0961 -275.916 GPRESSURE: 1981200 17.563 -16.3001 24.8594 47.2932 28.3807 118.545 -109.394 225.217 -145.137 PRESSAVG: 1981200 13.1755 43.935 6.47653 43.9351 -38.8765 19.1981 6.47648 19.1982 3.5309 GPRESSAVG: 1981200 13.9154 42.31 8.05943 42.862 -40.1367 16.8604 6.28923 22.1806 4.31752 TIMING: 1981200 CPU: 6262.77, 0.00315583/step Wall: 6262.77, 0.00315583/step, 2.64634 hours remaining, 234.882812 MB of memory in use. ENERGY: 1981200 3922.1265 20611.1662 14514.6884 240.6458 -203629.6425 2864.4933 0.0000 0.0000 51940.6879 -109535.8344 298.5038 -161476.5223 -109176.3116 298.9919 -61.3772 -33.0644 761925.3296 -7.3900 -7.3012 PRESSURE: 1981400 30.8181 18.6686 77.3903 18.6688 -53.6941 -25.3512 77.3904 -25.3513 -456.793 GPRESSURE: 1981400 38.5927 26.1698 22.1663 7.12718 -18.574 -96.8868 -25.0493 -74.3439 -409.189 PRESSAVG: 1981400 56.9393 7.71555 22.2732 7.71558 4.58342 43.8938 22.2732 43.8938 9.97522 GPRESSAVG: 1981400 55.1027 8.49886 20.7106 8.59172 5.50156 42.8643 22.5975 44.9438 11.1846 TIMING: 1981400 CPU: 6263.4, 0.00316011/step Wall: 6263.4, 0.00316011/step, 2.64975 hours remaining, 234.882812 MB of memory in use. ENERGY: 1981400 4001.2265 20444.0548 14526.3499 231.8962 -203198.9039 2418.7363 0.0000 0.0000 52119.3061 -109457.3342 299.5304 -161576.6403 -109094.7398 298.9096 -159.8898 -129.7233 760204.9566 23.8326 23.9296 PRESSURE: 1981600 -193.982 -106.474 196.52 -106.474 -24.4439 95.4848 196.519 95.4845 -30.3944 GPRESSURE: 1981600 -75.844 -102.564 154.817 -107.588 -53.3582 110.542 112.688 174.593 -20.1603 PRESSAVG: 1981600 -14.4996 -79.9709 -24.1686 -79.9709 8.49067 1.64272 -24.1687 1.64264 -6.45532 GPRESSAVG: 1981600 -13.4077 -81.2012 -23.3762 -77.1225 7.92214 3.97927 -24.4687 -0.758906 -7.60183 TIMING: 1981600 CPU: 6264.03, 0.00314844/step Wall: 6264.03, 0.00314844/step, 2.63979 hours remaining, 235.085938 MB of memory in use. ENERGY: 1981600 3974.7133 20597.4454 14491.3264 238.4996 -203365.2822 2616.8164 0.0000 0.0000 52072.7452 -109373.7359 299.2628 -161446.4811 -109010.5552 299.3382 -82.9401 -49.7875 761734.8439 -4.1548 -4.3625 PRESSURE: 1981800 209.97 -4.47493 45.7854 -4.47456 -178.852 -31.3525 45.7858 -31.3534 511.111 GPRESSURE: 1981800 288.991 -5.98554 94.669 44.7839 -136.175 77.6342 42.5432 -48.6113 507.324 PRESSAVG: 1981800 3.45491 -69.0989 68.0691 -69.099 46.8949 23.1082 68.0691 23.1082 14.0993 GPRESSAVG: 1981800 4.1618 -68.3974 67.5195 -71.1234 46.6156 22.4725 69.0118 22.7587 13.3665 TIMING: 1981800 CPU: 6264.66, 0.0031412/step Wall: 6264.66, 0.0031412/step, 2.63355 hours remaining, 235.085938 MB of memory in use. ENERGY: 1981800 4008.8538 20436.0163 14441.6586 232.5095 -203537.6632 2871.0602 0.0000 0.0000 52123.1335 -109424.4313 299.5524 -161547.5648 -109050.1459 299.6270 180.7427 220.0466 760064.5276 21.4830 21.3813 PRESSURE: 1982000 -91.4692 63.2645 140.081 63.2646 142.739 -214.84 140.08 -214.84 -33.1517 GPRESSURE: 1982000 -16.8521 81.6482 6.9011 76.5575 138.982 -236.347 197.201 -155.19 -20.7252 PRESSAVG: 1982000 32.6122 -11.049 17.7249 -11.049 -26.5216 -17.3302 17.725 -17.3303 6.29854 GPRESSAVG: 1982000 30.311 -12.225 18.7457 -9.98333 -24.7883 -17.2811 18.3956 -17.437 6.57254 TIMING: 1982000 CPU: 6265.29, 0.00317072/step Wall: 6265.29, 0.00317072/step, 2.65812 hours remaining, 235.085938 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: 1982000 3954.5007 20621.8178 14495.7165 274.0457 -203075.3485 2447.9150 0.0000 0.0000 52102.4277 -109178.9252 299.4334 -161281.3529 -108818.0415 299.4487 6.0394 33.8015 762053.7671 4.1297 4.0318 PRESSURE: 1982200 167.928 -141.018 -256.982 -141.017 74.46 3.45254 -256.983 3.45231 -347.763 GPRESSURE: 1982200 169.524 -199.757 -236.16 -144.723 5.87844 15.58 -159.213 -166.561 -212.651 PRESSAVG: 1982200 16.5524 -47.8411 -22.4234 -47.8411 -23.1891 60.2273 -22.4234 60.2272 9.20519 GPRESSAVG: 1982200 18.3541 -47.5966 -24.5083 -47.7542 -24.8159 61.1871 -21.7145 59.2371 9.79328 TIMING: 1982200 CPU: 6265.93, 0.00315841/step Wall: 6265.93, 0.00315841/step, 2.64762 hours remaining, 235.085938 MB of memory in use. ENERGY: 1982200 3962.1588 20658.6046 14505.2564 234.9914 -202734.1326 2317.7475 0.0000 0.0000 51878.0738 -109177.3001 298.1440 -161055.3739 -108809.2963 299.3946 -35.1250 -12.4163 761476.4906 0.8562 1.1105 PRESSURE: 1982400 -338.403 40.8726 129.665 40.873 363.699 81.2354 129.666 81.2345 202.769 GPRESSURE: 1982400 -314.496 -74.5468 117.617 -45.4471 392.156 112.384 224.43 81.2162 223.367 PRESSAVG: 1982400 56.1247 -53.5053 4.78803 -53.5053 -4.95819 32.9338 4.78813 32.9337 -8.14286 GPRESSAVG: 1982400 55.7532 -54.8784 5.40375 -54.0592 -3.48426 32.0661 5.5435 34.1889 -9.18114 TIMING: 1982400 CPU: 6266.56, 0.00317155/step Wall: 6266.56, 0.00317155/step, 2.65846 hours remaining, 235.085938 MB of memory in use. ENERGY: 1982400 3958.2569 20583.6964 14430.6570 258.7850 -203058.0743 2485.2472 0.0000 0.0000 52018.1840 -109323.2479 298.9492 -161341.4318 -108960.5302 299.7319 76.0217 100.3424 762099.6533 14.3412 14.3626 PRESSURE: 1982600 -10.3074 -86.4896 126.409 -86.4894 -114.381 -152.803 126.409 -152.802 139.424 GPRESSURE: 1982600 -7.02705 -38.464 197.136 -11.874 -112.388 -183.329 82.578 -181.922 211.414 PRESSAVG: 1982600 -6.09445 -43.4969 32.5541 -43.4969 -13.5309 -1.55696 32.5541 -1.55698 13.6631 GPRESSAVG: 1982600 -6.85552 -43.4313 34.3241 -43.4647 -14.3091 -2.4479 29.7934 -2.47708 15.3072 TIMING: 1982600 CPU: 6267.19, 0.00315435/step Wall: 6267.19, 0.00315435/step, 2.64387 hours remaining, 235.085938 MB of memory in use. ENERGY: 1982600 4070.5412 20489.2926 14403.4669 256.1914 -203569.6962 2735.1861 0.0000 0.0000 52320.9606 -109294.0574 300.6893 -161615.0180 -108931.9557 299.7758 4.9119 30.6665 761057.3153 -1.9874 -1.9525 PRESSURE: 1982800 -111.445 -135.871 59.9693 -135.872 -29.9545 199.03 59.9678 199.03 261.071 GPRESSURE: 1982800 -90.2713 34.1038 95.9362 -158.378 17.6573 212.477 48.2728 321.869 277.233 PRESSAVG: 1982800 9.0943 -20.9896 43.1012 -20.9896 5.13255 -25.4738 43.1012 -25.4738 4.55628 GPRESSAVG: 1982800 10.2422 -20.2589 40.9972 -22.0186 4.24558 -26.5794 43.5392 -23.371 4.40408 TIMING: 1982800 CPU: 6267.82, 0.00315578/step Wall: 6267.82, 0.00315578/step, 2.64489 hours remaining, 235.085938 MB of memory in use. ENERGY: 1982800 3952.6401 20513.3158 14346.6163 257.9966 -203162.3531 2637.7868 0.0000 0.0000 52150.6929 -109303.3046 299.7107 -161453.9975 -108938.1170 299.4298 39.8903 68.2064 761020.9107 6.2610 6.2973 PRESSURE: 1983000 93.6904 -105.079 -143.123 -105.079 -437.408 -408.996 -143.123 -408.996 241.69 GPRESSURE: 1983000 145.02 -151.944 -229.834 -122.318 -430.067 -469.646 -208.697 -340.969 260.637 PRESSAVG: 1983000 44.1559 -18.2604 13.015 -18.2604 -29.654 -9.9573 13.015 -9.95734 -2.93112 GPRESSAVG: 1983000 43.8339 -16.3774 12.6084 -17.7953 -28.7752 -9.54022 13.7694 -12.2162 -3.72708 TIMING: 1983000 CPU: 6268.45, 0.00315388/step Wall: 6268.45, 0.00315388/step, 2.64313 hours remaining, 235.085938 MB of memory in use. ENERGY: 1983000 3998.8460 20542.3166 14512.0479 250.2780 -203229.8891 2571.7228 0.0000 0.0000 52128.6570 -109226.0207 299.5841 -161354.6777 -108864.0558 299.5400 -34.0093 -8.1368 762068.6585 3.8569 3.7772 PRESSURE: 1983200 29.2613 8.12287 103.918 8.12301 -54.0352 -125.135 103.918 -125.135 -302.799 GPRESSURE: 1983200 119.851 -73.5574 156.074 -48.2529 -50.7889 -122.783 109.62 -59.1686 -331.519 PRESSAVG: 1983200 -7.15931 11.916 -9.2257 11.916 10.3561 -31.7154 -9.22563 -31.7154 6.20938 GPRESSAVG: 1983200 -7.76092 9.97587 -6.28365 12.2449 10.148 -30.2368 -11.3897 -32.4671 6.1154 TIMING: 1983200 CPU: 6269.08, 0.00315611/step Wall: 6269.08, 0.00315611/step, 2.64482 hours remaining, 235.085938 MB of memory in use. ENERGY: 1983200 4052.3676 20584.9340 14416.5691 243.8310 -203426.6282 2805.3413 0.0000 0.0000 51863.8759 -109459.7093 298.0624 -161323.5852 -109101.4793 299.4038 -109.1910 -87.4856 763066.8992 3.1354 2.8341 PRESSURE: 1983400 -218.726 138.023 73.7937 138.023 -36.6643 -70.1199 73.7946 -70.1196 129.863 GPRESSURE: 1983400 -207.505 199.695 115.348 102.767 77.2739 -133.249 166.78 -29.6919 82.3289 PRESSAVG: 1983400 -49.4973 -30.3887 66.7576 -30.3887 -0.752213 -51.1773 66.7575 -51.1773 -16.5594 GPRESSAVG: 1983400 -48.7107 -30.086 66.352 -30.2173 -0.704832 -51.7326 68.3552 -51.0304 -16.7763 TIMING: 1983400 CPU: 6269.72, 0.00315172/step Wall: 6269.72, 0.00315172/step, 2.64097 hours remaining, 235.085938 MB of memory in use. ENERGY: 1983400 4044.5309 20391.8164 14399.3064 254.3222 -203479.9604 2677.6212 0.0000 0.0000 52005.4316 -109706.9318 298.8759 -161712.3634 -109340.2031 298.6247 -41.8425 -15.9673 762124.9562 -22.2696 -22.0640 PRESSURE: 1983600 96.4011 -380.616 65.6486 -380.616 184.352 213.4 65.6495 213.401 -130.59 GPRESSURE: 1983600 123.831 -240.607 103.58 -176.591 182.447 294.375 42.2221 123.217 -69.9965 PRESSAVG: 1983600 -24.1893 -41.0608 23.0468 -41.0608 18.6019 46.0762 23.0468 46.0762 -15.0137 GPRESSAVG: 1983600 -25.4982 -40.2187 22.3567 -39.7472 19.9378 45.5071 24.3464 44.6003 -15.5042 TIMING: 1983600 CPU: 6270.35, 0.00315489/step Wall: 6270.35, 0.00315488/step, 2.64344 hours remaining, 235.085938 MB of memory in use. ENERGY: 1983600 4078.7768 20392.9081 14370.0878 238.1612 -203711.8438 2883.0147 0.0000 0.0000 52058.9251 -109689.9702 299.1834 -161748.8953 -109317.6781 298.9592 50.0546 78.7605 761965.3357 -6.8670 -7.0215 PRESSURE: 1983800 82.2989 8.76323 38.5817 8.76314 251.515 49.629 38.5817 49.6299 255.446 GPRESSURE: 1983800 125.975 -49.8417 66.7899 -8.26969 287.252 51.2203 -191.165 61.9724 259.517 PRESSAVG: 1983800 -40.35 -2.90128 25.5033 -2.90135 28.1265 -0.613619 25.5034 -0.613579 22.8019 GPRESSAVG: 1983800 -38.9936 -2.31388 25.0088 -4.34641 26.3404 -0.807634 24.8284 0.0915038 23.6508 TIMING: 1983800 CPU: 6270.98, 0.00315807/step Wall: 6270.98, 0.00315807/step, 2.64593 hours remaining, 235.085938 MB of memory in use. ENERGY: 1983800 3941.5897 20549.2244 14457.6051 237.2051 -203601.4144 2793.7983 0.0000 0.0000 51789.3379 -109832.6539 297.6340 -161621.9918 -109460.0685 298.6685 196.4202 224.2479 761974.3353 3.5262 3.6659 PRESSURE: 1984000 70.7751 -46.1723 -103.157 -46.1723 -138.363 -1.01531 -103.157 -1.01478 -492.757 GPRESSURE: 1984000 121.101 -142.936 -85.7426 -19.9932 -83.4031 -40.1 -127.34 35.7906 -523.76 PRESSAVG: 1984000 -40.839 -44.0447 8.23268 -44.0446 19.6138 29.7289 8.23271 29.7289 -12.2936 GPRESSAVG: 1984000 -42.5951 -46.3027 8.61545 -42.5663 21.2614 32.3402 7.0961 29.0429 -11.9802 TIMING: 1984000 CPU: 6271.61, 0.00315187/step Wall: 6271.61, 0.00315187/step, 2.64056 hours remaining, 235.085938 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: 1984000 4024.5467 20603.0786 14437.7658 239.2009 -203634.3358 2565.1584 0.0000 0.0000 52063.5676 -109701.0178 299.2100 -161764.5854 -109339.0197 298.7987 -186.7815 -162.0205 762303.8739 -11.1730 -11.1047 PRESSURE: 1984200 -55.2755 -48.3748 -4.09918 -48.3745 0.940479 -106.569 -4.09899 -106.57 30.8924 GPRESSURE: 1984200 -72.903 17.4224 36.1599 -42.9637 70.9259 -39.3161 -32.8831 8.61565 25.4692 PRESSAVG: 1984200 -58.553 -22.4475 -16.1637 -22.4476 59.2802 29.6857 -16.1637 29.6857 13.9454 GPRESSAVG: 1984200 -58.6181 -20.176 -16.3562 -24.8076 58.8713 29.3883 -14.0724 32.4912 13.8436 TIMING: 1984200 CPU: 6272.24, 0.00314197/step Wall: 6272.24, 0.00314197/step, 2.6321 hours remaining, 235.085938 MB of memory in use. ENERGY: 1984200 4061.2235 20527.4481 14391.1579 239.2204 -203525.8231 2826.6264 0.0000 0.0000 51864.6934 -109615.4535 298.0671 -161480.1469 -109257.7843 298.7062 -7.8142 7.8307 762536.4693 4.8909 4.6989 LDB: ============= START OF LOAD BALANCING ============== 6284.77 LDB: ============== END OF LOAD BALANCING =============== 6284.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6284.77 LDB: ============= START OF LOAD BALANCING ============== 6285.08 LDB: Largest compute 7026 load 0.029565 is 15.1% of average load 0.195448 LDB: Average compute 0.004389 is 2.2% of average load 0.195448 LDB: TIME 6285.09 LOAD: AVG 0.195448 MAX 0.222001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.879 MB LDB: TIME 6285.09 LOAD: AVG 0.195448 MAX 0.222001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.082 MB LDB: TIME 6285.09 LOAD: AVG 0.195448 MAX 0.217118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.082 MB LDB: ============== END OF LOAD BALANCING =============== 6285.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6285.09 PRESSURE: 1984400 107.069 70.8326 24.8259 70.8334 -78.4353 344.464 24.8258 344.464 331.245 GPRESSURE: 1984400 84.2605 63.5374 45.9741 142.546 -33.6773 327.863 22.1402 316.905 384.243 PRESSAVG: 1984400 -5.47006 -35.1735 32.0045 -35.1735 3.7768 50.7229 32.0046 50.7229 -6.1085 GPRESSAVG: 1984400 -6.56771 -35.4745 31.9355 -35.2967 4.47688 48.8588 31.8647 50.1817 -5.88352 TIMING: 1984400 CPU: 6272.88, 0.00320634/step Wall: 6272.88, 0.00320634/step, 2.68584 hours remaining, 237.312500 MB of memory in use. ENERGY: 1984400 3922.8528 20537.6482 14414.7980 259.3219 -203230.9565 2506.8492 0.0000 0.0000 52005.7246 -109583.7619 298.8776 -161589.4865 -109226.0337 298.5406 119.9595 144.9419 761869.9873 -2.6006 -2.6581 PRESSURE: 1984600 -173.093 -77.9293 43.5247 -77.9287 63.7308 19.3524 43.5246 19.3526 14.4335 GPRESSURE: 1984600 -148.507 -65.9368 59.1879 -107.2 130.815 31.0458 62.8181 14.4744 0.241102 PRESSAVG: 1984600 9.9204 0.784105 31.9963 0.784113 42.4184 10.539 31.9962 10.539 -3.86007 GPRESSAVG: 1984600 10.5374 -0.703258 31.8155 1.79206 41.9694 12.1904 31.5759 8.52844 -4.74028 TIMING: 1984600 CPU: 6273.51, 0.00313587/step Wall: 6273.51, 0.00313587/step, 2.62664 hours remaining, 237.382812 MB of memory in use. ENERGY: 1984600 4010.7219 20475.6508 14457.3149 242.7839 -203572.1569 2807.5310 0.0000 0.0000 52016.8555 -109561.2990 298.9416 -161578.1545 -109207.9688 298.8596 -31.6427 -5.8171 762196.2385 16.1596 15.9222 PRESSURE: 1984800 -349.883 -108.598 -39.0292 -108.598 -250.863 153.174 -39.0274 153.173 -213.225 GPRESSURE: 1984800 -284.674 -23.1601 -44.0369 -131.157 -205.979 262.564 -47.0271 -3.92202 -233.252 PRESSAVG: 1984800 26.2349 -34.1202 -57.9204 -34.1201 -8.93883 25.1544 -57.9205 25.1544 20.3533 GPRESSAVG: 1984800 26.2393 -33.1489 -59.0724 -34.3284 -8.04864 23.3639 -58.7339 27.4608 19.7135 TIMING: 1984800 CPU: 6274.13, 0.00314903/step Wall: 6274.13, 0.00314903/step, 2.63749 hours remaining, 237.382812 MB of memory in use. ENERGY: 1984800 4037.0197 20445.9122 14432.8034 244.1516 -203339.2099 2503.8176 0.0000 0.0000 51870.7698 -109804.7356 298.1020 -161675.5054 -109451.2488 298.2478 -271.3237 -241.3015 763297.4126 12.5498 12.6347 PRESSURE: 1985000 346.306 -62.2024 -200.081 -62.2029 405.72 -55.4751 -200.081 -55.4767 128.907 GPRESSURE: 1985000 434.012 -72.192 -163.454 -73.9773 358.512 -142.698 -169.17 79.9759 164.135 PRESSAVG: 1985000 40.946 -44.0812 -33.4856 -44.0812 -55.021 78.6363 -33.4856 78.6363 -5.88071 GPRESSAVG: 1985000 42.3177 -44.272 -33.0866 -42.7989 -56.5596 78.2779 -31.8475 76.7899 -5.62883 TIMING: 1985000 CPU: 6274.76, 0.00313846/step Wall: 6274.76, 0.00313846/step, 2.62846 hours remaining, 237.382812 MB of memory in use. ENERGY: 1985000 3924.0644 20543.7948 14394.3305 244.4593 -203556.9494 2737.6546 0.0000 0.0000 52026.6777 -109685.9681 298.9980 -161712.6458 -109333.3966 298.4231 293.6441 318.8861 761474.7831 -6.6519 -6.6236 PRESSURE: 1985200 205.533 131.243 -11.5073 131.243 -172.808 -125.48 -11.5056 -125.48 -289.746 GPRESSURE: 1985200 238.911 243.229 52.7807 199.72 -191.355 -19.0263 -123.795 -49.0138 -230.576 PRESSAVG: 1985200 58.8036 -24.4331 -24.9237 -24.433 -32.273 51.1405 -24.9237 51.1405 -1.06428 GPRESSAVG: 1985200 58.3165 -24.7993 -23.8732 -23.7424 -31.0893 52.3803 -24.187 53.6857 -1.85583 TIMING: 1985200 CPU: 6275.39, 0.00313729/step Wall: 6275.39, 0.00313729/step, 2.6273 hours remaining, 237.382812 MB of memory in use. ENERGY: 1985200 3879.5304 20427.1499 14357.5064 250.0943 -203351.6169 2652.9548 0.0000 0.0000 51973.6034 -109810.7777 298.6930 -161784.3810 -109447.9510 298.3844 -85.6737 -61.0066 760518.7551 8.4888 8.4571 PRESSURE: 1985400 66.5242 19.4582 141.844 19.458 570.693 149.752 141.844 149.751 297.379 GPRESSURE: 1985400 92.1887 66.045 149.17 -6.23325 515.606 195.815 178.753 -30.322 388.824 PRESSAVG: 1985400 -2.4405 -5.77425 -11.5893 -5.77424 24.6043 -16.9388 -11.5892 -16.9388 -9.80769 GPRESSAVG: 1985400 -3.00365 -4.2468 -11.6175 -7.53374 23.8334 -17.4347 -11.5458 -16.7554 -8.85725 TIMING: 1985400 CPU: 6276.02, 0.00313652/step Wall: 6276.02, 0.00313652/step, 2.62649 hours remaining, 237.382812 MB of memory in use. ENERGY: 1985400 3865.4209 20607.9711 14391.6066 242.9386 -203590.5848 2768.9418 0.0000 0.0000 52090.3459 -109623.3599 299.3639 -161713.7058 -109270.0357 298.5282 311.5321 332.2062 759402.6978 4.1187 3.9908 PRESSURE: 1985600 68.5474 -47.6302 -113.988 -47.6301 -39.6537 150.221 -113.987 150.222 -248.855 GPRESSURE: 1985600 57.3416 -33.4356 -42.6101 -44.3552 -11.6121 99.3081 53.9691 250.638 -180.583 PRESSAVG: 1985600 51.7696 22.0681 14.3817 22.0681 -11.1249 11.9609 14.3816 11.9609 -7.59812 GPRESSAVG: 1985600 50.0422 20.376 12.9587 22.7828 -9.84507 12.2907 12.026 11.4662 -7.33798 TIMING: 1985600 CPU: 6276.65, 0.00314587/step Wall: 6276.65, 0.00314587/step, 2.63414 hours remaining, 237.382812 MB of memory in use. ENERGY: 1985600 4004.6731 20548.3165 14410.9449 231.6792 -203793.3567 2795.9153 0.0000 0.0000 51873.3981 -109928.4297 298.1171 -161801.8277 -109566.7634 298.6865 -73.3205 -44.9510 761083.8983 11.0155 10.9531 PRESSURE: 1985800 43.7466 -18.0243 -396.091 -18.0243 -37.4286 -67.5471 -396.091 -67.5468 -438 GPRESSURE: 1985800 71.0471 -55.0837 -302.865 -30.0062 50.9781 -107.134 -255.84 -94.6708 -462.33 PRESSAVG: 1985800 -9.11944 -70.7843 3.16258 -70.7843 20.0745 -28.6162 3.16257 -28.6163 3.73987 GPRESSAVG: 1985800 -8.83764 -71.003 4.65983 -69.7596 20.581 -29.5131 3.46935 -27.8455 3.04785 TIMING: 1985800 CPU: 6277.27, 0.00314205/step Wall: 6277.27, 0.00314205/step, 2.63077 hours remaining, 237.382812 MB of memory in use. ENERGY: 1985800 3958.6935 20637.3316 14443.2994 234.6125 -203928.7782 2898.3571 0.0000 0.0000 51973.5548 -109782.9293 298.6927 -161756.4841 -109421.8462 298.6309 -143.8939 -113.4350 762995.7291 4.8983 4.9304 PRESSURE: 1986000 -478.828 158.706 -127.269 158.706 -230.902 -55.6842 -127.269 -55.6838 -196.953 GPRESSURE: 1986000 -419.237 124.903 -78.953 112.238 -274.633 -22.6385 -80.6328 -106.256 -129.899 PRESSAVG: 1986000 -34.174 -18.7524 -15.835 -18.7524 42.4529 7.53558 -15.8351 7.53558 -0.919704 GPRESSAVG: 1986000 -32.6679 -19.2783 -16.6419 -18.5914 40.4786 8.71656 -15.579 6.99854 -0.0408262 TIMING: 1986000 CPU: 6277.91, 0.00316405/step Wall: 6277.91, 0.00316405/step, 2.64901 hours remaining, 237.382812 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: 1986000 3941.8354 20532.8963 14452.1298 247.3258 -203370.7495 2594.3022 0.0000 0.0000 51951.4503 -109650.8098 298.5657 -161602.2601 -109293.3663 298.4484 -302.2274 -274.5899 764330.3228 2.4531 2.5900 PRESSURE: 1986200 -157.513 -8.20011 102.57 -8.20029 -43.4066 246.55 102.569 246.55 -230.023 GPRESSURE: 1986200 -95.3438 25.3978 148.137 13.6502 -82.3635 216.517 161.715 387.804 -199.145 PRESSAVG: 1986200 3.27806 -26.5323 4.80773 -26.5323 -33.1358 19.3234 4.80779 19.3235 16.568 GPRESSAVG: 1986200 3.17965 -25.9665 6.41264 -29.6154 -32.6963 19.6568 5.45695 19.7563 16.2594 TIMING: 1986200 CPU: 6278.54, 0.00315027/step Wall: 6278.54, 0.00315027/step, 2.6373 hours remaining, 237.382812 MB of memory in use. ENERGY: 1986200 3957.6278 20590.6630 14412.2181 244.3716 -203410.6565 2641.5669 0.0000 0.0000 51888.4064 -109675.8027 298.2034 -161564.2091 -109320.0475 298.5136 -143.6478 -125.6174 761749.1458 -4.4299 -4.4191 PRESSURE: 1986400 -250.911 30.7752 -210.156 30.7742 160.937 -186.9 -210.156 -186.901 -344.393 GPRESSURE: 1986400 -238.76 39.0437 -140.579 -3.64625 250.721 -212.362 -176.349 -121.798 -348.945 PRESSAVG: 1986400 32.9353 11.2059 -0.62734 11.2059 -13.5675 -0.458 -0.627338 -0.457939 -22.4812 GPRESSAVG: 1986400 32.4941 12.6313 -2.04128 12.5322 -11.8346 0.302657 0.607372 0.0624646 -23.4549 TIMING: 1986400 CPU: 6279.17, 0.00316711/step Wall: 6279.17, 0.00316711/step, 2.65122 hours remaining, 237.382812 MB of memory in use. ENERGY: 1986400 4070.5774 20495.4052 14479.2913 249.6692 -203440.3974 2703.1374 0.0000 0.0000 51907.4793 -109534.8377 298.3130 -161442.3170 -109181.3776 298.4568 -144.7889 -112.3281 761346.3859 -1.0378 -0.9318 PRESSURE: 1986600 186.662 -39.8918 -27.5462 -39.892 282.412 6.68767 -27.5467 6.6874 125.159 GPRESSURE: 1986600 236.418 -72.9359 -35.6189 -47.3636 257.328 87.7878 -74.2158 12.1287 183.014 PRESSAVG: 1986600 25.766 -30.7712 38.4815 -30.7712 -48.9818 2.36157 38.4814 2.36157 -20.3403 GPRESSAVG: 1986600 26.421 -32.3015 39.3811 -28.2615 -50.1308 0.69893 35.3209 1.49587 -19.6798 TIMING: 1986600 CPU: 6279.8, 0.00315887/step Wall: 6279.8, 0.00315887/step, 2.64415 hours remaining, 237.382812 MB of memory in use. ENERGY: 1986600 4022.4482 20569.1495 14394.1508 237.8116 -203779.7487 2976.5007 0.0000 0.0000 52160.0722 -109419.6158 299.7647 -161579.6880 -109060.1835 298.9782 198.0774 225.5866 761521.6904 -14.5187 -14.4632 PRESSURE: 1986800 -54.3745 -112.587 51.1206 -112.587 294.13 -182.107 51.1204 -182.107 -113.083 GPRESSURE: 1986800 -52.8047 -65.2496 42.8815 -42.9783 255.818 -190.726 180.49 -78.2325 6.11852 PRESSAVG: 1986800 -26.4004 -82.5483 36.808 -82.5483 6.5653 7.63731 36.808 7.63739 -9.97403 GPRESSAVG: 1986800 -27.0506 -81.4587 37.161 -86.27 6.31139 8.00597 38.5144 6.73686 -9.20602 TIMING: 1986800 CPU: 6280.43, 0.00312348/step Wall: 6280.43, 0.00312348/step, 2.61435 hours remaining, 237.382812 MB of memory in use. ENERGY: 1986800 3969.4344 20518.3087 14431.3594 226.7873 -203897.5847 3014.9042 0.0000 0.0000 52279.5143 -109457.2765 300.4511 -161736.7908 -109097.6805 299.2940 42.2243 69.7106 761997.5393 -9.9364 -9.9817 PRESSURE: 1987000 77.6094 26.3605 9.77472 26.3599 88.7781 23.0942 9.77452 23.0937 49.1731 GPRESSURE: 1987000 140.847 42.9514 -21.7867 56.973 92.7938 5.46045 -12.8971 59.1216 44.355 PRESSAVG: 1987000 -16.6327 -17.9956 -2.51199 -17.9956 31.1059 -9.74964 -2.51207 -9.74955 -14.4947 GPRESSAVG: 1987000 -16.2419 -19.6999 -0.800458 -15.0993 30.625 -11.4049 -3.72794 -7.92215 -13.8521 TIMING: 1987000 CPU: 6281.05, 0.00313126/step Wall: 6281.05, 0.00313126/step, 2.62069 hours remaining, 237.382812 MB of memory in use. ENERGY: 1987000 3989.8511 20708.9986 14434.8503 264.6689 -204170.6215 3171.4448 0.0000 0.0000 51869.7132 -109731.0946 298.0960 -161600.8078 -109377.2410 298.9203 71.8535 92.6651 761693.8291 -0.0072 0.1770 PRESSURE: 1987200 89.0902 143.023 24.7343 143.023 -199.052 -130.108 24.7341 -130.109 -197.142 GPRESSURE: 1987200 93.6044 115.824 -108.827 12.3463 -138.97 -160.131 -10.9125 -97.0651 -174.966 PRESSAVG: 1987200 8.10536 31.6593 -37.71 31.6593 -16.204 -36.0594 -37.71 -36.0594 -6.10888 GPRESSAVG: 1987200 6.68719 32.56 -39.4204 31.2336 -15.872 -34.9081 -37.0503 -37.5083 -5.16911 TIMING: 1987200 CPU: 6281.69, 0.00315981/step Wall: 6281.69, 0.00315981/step, 2.64441 hours remaining, 237.382812 MB of memory in use. ENERGY: 1987200 3926.1293 20583.8916 14474.5645 252.5664 -203559.1771 2663.8694 0.0000 0.0000 51739.3757 -109918.7802 297.3469 -161658.1559 -109554.7265 298.0772 -102.3679 -73.4440 761841.5527 -4.7358 -4.7846 PRESSURE: 1987400 23.5834 -32.6575 112.171 -32.6579 -345.91 10.9728 112.171 10.9729 80.1618 GPRESSURE: 1987400 92.7206 -8.90782 73.6819 -46.6178 -331.68 87.0174 48.2502 -74.8173 78.3272 PRESSAVG: 1987400 -7.53944 -25.2025 -22.8156 -25.2025 -13.7609 42.9051 -22.8156 42.9051 21.8776 GPRESSAVG: 1987400 -6.07638 -25.5808 -22.0971 -26.2193 -12.971 41.9642 -22.4695 42.6608 20.3498 TIMING: 1987400 CPU: 6282.31, 0.00313146/step Wall: 6282.31, 0.00313146/step, 2.62051 hours remaining, 237.382812 MB of memory in use. ENERGY: 1987400 3982.9187 20578.1501 14479.3241 253.7259 -203024.7377 2573.3904 0.0000 0.0000 51563.7845 -109593.4440 296.3378 -161157.2284 -109243.1090 298.8118 -80.7217 -53.5440 761954.0811 0.1924 0.4341 PRESSURE: 1987600 -46.4684 -23.1756 45.1241 -23.175 177.147 35.0853 45.1242 35.0849 24.3112 GPRESSURE: 1987600 42.5803 16.1379 107.731 2.4066 135.961 65.3592 -4.34478 5.88918 59.5411 PRESSAVG: 1987600 -9.84803 -18.7906 -14.4396 -18.7907 50.0795 7.86453 -14.4396 7.86457 32.2633 GPRESSAVG: 1987600 -9.32176 -17.0364 -14.9566 -18.3696 48.5963 9.4427 -14.2827 9.97475 32.6917 TIMING: 1987600 CPU: 6282.94, 0.00313334/step Wall: 6282.94, 0.00313334/step, 2.62191 hours remaining, 237.382812 MB of memory in use. ENERGY: 1987600 3885.1682 20552.1219 14406.8302 250.2447 -203520.9338 2783.0428 0.0000 0.0000 52321.2255 -109322.3004 300.6908 -161643.5259 -108950.6201 298.8219 51.6631 79.3608 762833.2826 24.1649 23.9887 PRESSURE: 1987800 24.4966 83.4284 -43.0435 83.4288 -5.15322 121.981 -43.0441 121.981 56.5735 GPRESSURE: 1987800 64.323 74.8596 24.8223 128.995 10.5248 118.115 -51.1039 -44.686 79.7991 PRESSAVG: 1987800 17.5766 24.0292 -19.5189 24.0292 -5.80579 38.0848 -19.5189 38.085 6.89952 GPRESSAVG: 1987800 16.6917 21.5312 -20.4672 24.7577 -4.36817 36.7623 -20.7216 36.6368 6.02271 TIMING: 1987800 CPU: 6283.57, 0.00314549/step Wall: 6283.57, 0.00314549/step, 2.6319 hours remaining, 237.382812 MB of memory in use. ENERGY: 1987800 4053.4806 20499.6580 14429.3257 245.7205 -203315.2022 2709.9879 0.0000 0.0000 52088.3545 -109288.6751 299.3525 -161377.0295 -108935.0582 299.5117 25.3056 51.5490 761913.1535 6.2234 6.1154 PRESSURE: 1988000 108.748 -215.306 -75.7437 -215.306 80.6947 -131.996 -75.7436 -131.995 -123.323 GPRESSURE: 1988000 197.464 -33.8557 -109.152 -230.868 116 -276.814 -91.2184 -53.1979 -151.892 PRESSAVG: 1988000 34.1167 -20.1657 -26.8035 -20.1657 -20.5227 28.9718 -26.8035 28.9718 -18.2958 GPRESSAVG: 1988000 34.188 -17.6915 -25.2835 -21.6699 -21.6887 28.5591 -25.4688 29.4652 -16.9141 TIMING: 1988000 CPU: 6284.2, 0.00315075/step Wall: 6284.2, 0.00315075/step, 2.63613 hours remaining, 237.382812 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: 1988000 4071.2837 20450.8344 14411.6377 254.3512 -203418.5340 2739.7605 0.0000 0.0000 52309.7827 -109180.8839 300.6250 -161490.6666 -108821.2785 299.8603 22.0399 53.8569 762198.3832 -1.5672 -1.4716 PRESSURE: 1988200 -67.0047 -72.1509 176.56 -72.15 284.694 65.1207 176.561 65.1209 -146.482 GPRESSURE: 1988200 -41.5009 -57.4497 199.47 -80.3584 262.52 144.196 148.926 90.0428 -72.6662 PRESSAVG: 1988200 -30.0529 -36.9548 32.2556 -36.9548 13.3109 38.9692 32.2557 38.9691 -26.696 GPRESSAVG: 1988200 -29.1111 -37.4455 32.2082 -35.7054 12.5782 40.7092 29.5668 37.3338 -26.6426 TIMING: 1988200 CPU: 6284.83, 0.00315103/step Wall: 6284.83, 0.00315103/step, 2.63619 hours remaining, 237.382812 MB of memory in use. ENERGY: 1988200 3927.8925 20527.5447 14383.2330 236.1249 -203221.3348 2870.8278 0.0000 0.0000 52115.0585 -109160.6535 299.5060 -161275.7119 -108794.2803 299.6420 23.7357 49.4511 763159.5014 -14.4793 -14.3918 LDB: ============= START OF LOAD BALANCING ============== 6297.36 LDB: ============== END OF LOAD BALANCING =============== 6297.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6297.36 LDB: ============= START OF LOAD BALANCING ============== 6297.68 LDB: Largest compute 7049 load 0.028861 is 14.8% of average load 0.195536 LDB: Average compute 0.004381 is 2.2% of average load 0.195536 LDB: TIME 6297.68 LOAD: AVG 0.195536 MAX 0.220097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.738 MB LDB: TIME 6297.68 LOAD: AVG 0.195536 MAX 0.220097 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: TIME 6297.68 LOAD: AVG 0.195536 MAX 0.217651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.738 MB LDB: ============== END OF LOAD BALANCING =============== 6297.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6297.69 PRESSURE: 1988400 -398.307 182.57 -161.717 182.569 -197.767 -42.7702 -161.717 -42.7707 129.737 GPRESSURE: 1988400 -347.99 154.943 -131.125 230.42 -137.944 3.12918 -123.854 -88.776 77.9171 PRESSAVG: 1988400 -1.2749 -5.95837 28.2157 -5.95835 -4.19308 12.3456 28.2156 12.3456 9.26542 GPRESSAVG: 1988400 -1.25852 -7.34748 26.6319 -6.37922 -3.33023 10.8286 30.4298 14.4838 7.96681 TIMING: 1988400 CPU: 6285.47, 0.00323139/step Wall: 6285.47, 0.00323139/step, 2.70323 hours remaining, 233.453125 MB of memory in use. ENERGY: 1988400 3977.5536 20523.5948 14446.7058 250.8769 -202916.6822 2331.2610 0.0000 0.0000 52142.0056 -109244.6844 299.6608 -161386.6901 -108874.6160 299.6677 -155.4459 -136.0055 765313.1568 1.2658 1.1260 PRESSURE: 1988600 -75.0489 -134.799 -54.9877 -134.799 311.841 112.111 -54.9876 112.109 327.629 GPRESSURE: 1988600 -0.732544 -50.3907 -72.1084 -40.6414 336.028 108.276 -100.71 152.77 304.859 PRESSAVG: 1988600 27.2985 -20.0046 -32.4792 -20.0047 -9.37392 49.2427 -32.4792 49.2427 0.423723 GPRESSAVG: 1988600 27.1954 -18.0232 -31.136 -21.7424 -9.64774 50.7725 -33.5743 47.9672 1.0293 TIMING: 1988600 CPU: 6286.11, 0.00315398/step Wall: 6286.11, 0.00315398/step, 2.63831 hours remaining, 233.453125 MB of memory in use. ENERGY: 1988600 3994.7378 20530.0744 14507.0357 256.1917 -203241.5455 2888.1531 0.0000 0.0000 51942.0422 -109123.3106 298.5116 -161065.3528 -108769.6035 299.0694 188.1406 213.3851 762767.8961 6.1161 6.1923 PRESSURE: 1988800 -77.3928 9.55594 -97.027 9.55588 -511.209 318.909 -97.0277 318.908 -85.141 GPRESSURE: 1988800 -56.7586 19.6455 -54.1473 31.6716 -398.598 275.85 -199.504 229.09 -124.827 PRESSAVG: 1988800 19.3139 -3.41088 -68.8144 -3.41082 -22.2009 63.4674 -68.8144 63.4675 -19.275 GPRESSAVG: 1988800 19.9702 -5.63546 -69.1504 -1.72632 -22.3032 62.3663 -69.0567 63.8628 -19.6193 TIMING: 1988800 CPU: 6286.73, 0.00314598/step Wall: 6286.73, 0.00314598/step, 2.63144 hours remaining, 233.453125 MB of memory in use. ENERGY: 1988800 4058.7976 20480.7019 14426.5524 238.9403 -203333.6165 2673.6569 0.0000 0.0000 52254.6233 -109200.3442 300.3080 -161454.9675 -108824.1862 299.8367 -224.5809 -193.3945 763768.4726 -7.3874 -7.3174 PRESSURE: 1989000 37.4376 131.718 -171.387 131.718 -223.837 55.9669 -171.387 55.9659 -253.778 GPRESSURE: 1989000 23.3371 155.205 -117.209 124.126 -236.507 23.1629 -153.963 -90.3887 -129.527 PRESSAVG: 1989000 71.0728 13.8263 -12.5986 13.8263 -58.4348 38.5053 -12.5985 38.5052 11.9505 GPRESSAVG: 1989000 70.977 14.5215 -13.0683 14.236 -58.6095 38.452 -14.1527 40.3786 12.7193 TIMING: 1989000 CPU: 6287.37, 0.00315431/step Wall: 6287.37, 0.00315431/step, 2.63823 hours remaining, 233.453125 MB of memory in use. ENERGY: 1989000 3994.3888 20664.0140 14442.0059 245.8940 -203383.0211 2691.0467 0.0000 0.0000 52123.9802 -109221.6915 299.5572 -161345.6717 -108855.5722 300.0113 -146.7260 -114.2325 764592.1365 8.1961 8.3623 PRESSURE: 1989200 101.436 -109.697 94.9228 -109.697 -198.928 -103.535 94.9229 -103.534 -353.425 GPRESSURE: 1989200 69.643 -86.6156 88.3672 -29.1069 -160.146 -121.073 34.8109 -127.527 -282.424 PRESSAVG: 1989200 8.6964 -1.97096 -19.1518 -1.97096 -54.6704 29.62 -19.1518 29.6201 20.0025 GPRESSAVG: 1989200 8.69387 -1.61357 -19.6245 -1.26105 -55.08 30.7147 -16.8321 26.8302 20.1383 TIMING: 1989200 CPU: 6287.99, 0.00313944/step Wall: 6287.99, 0.00313944/step, 2.62562 hours remaining, 233.453125 MB of memory in use. ENERGY: 1989200 4010.5179 20597.9603 14484.6050 229.7541 -203476.1805 2950.6153 0.0000 0.0000 52303.9132 -108898.8147 300.5913 -161202.7279 -108524.8504 300.2152 -150.3057 -124.3091 764833.7296 -8.6572 -8.7493 PRESSURE: 1989400 -207.533 -115.202 30.7073 -115.202 -623.056 147.613 30.7071 147.613 -218.754 GPRESSURE: 1989400 -198.945 -171.239 130.948 -47.0583 -470.24 197.313 -61.9319 159.762 -296.94 PRESSAVG: 1989400 12.5072 24.5087 20.8693 24.5088 -45.9395 4.03537 20.8693 4.03544 -11.8198 GPRESSAVG: 1989400 13.4962 25.9082 22.5826 22.9689 -45.3083 3.47368 18.6806 3.80217 -13.2397 TIMING: 1989400 CPU: 6288.62, 0.00314604/step Wall: 6288.62, 0.00314604/step, 2.63096 hours remaining, 233.656250 MB of memory in use. ENERGY: 1989400 4001.6901 20581.6218 14432.7452 254.9786 -202783.8303 2337.5253 0.0000 0.0000 52200.1748 -108975.0946 299.9951 -161175.2694 -108616.8272 300.2720 -349.7809 -322.0413 764086.5183 -15.0841 -15.0173 PRESSURE: 1989600 102.893 93.1425 -103.426 93.1429 285.068 30.4739 -103.425 30.4742 326.724 GPRESSURE: 1989600 119.151 58.0951 -198.922 93.5388 211.157 33.1642 54.8804 30.7712 461.891 PRESSAVG: 1989600 36.2854 7.34122 24.8467 7.3412 -15.6943 27.0195 24.8467 27.0195 -12.7268 GPRESSAVG: 1989600 34.8101 6.89943 24.1407 8.4315 -16.9664 26.5222 26.0497 29.3729 -10.0465 TIMING: 1989600 CPU: 6289.25, 0.00313461/step Wall: 6289.25, 0.00313461/step, 2.62123 hours remaining, 233.656250 MB of memory in use. ENERGY: 1989600 3954.5001 20717.9996 14439.2672 247.2632 -203149.5926 2751.7752 0.0000 0.0000 51888.5936 -109150.1936 298.2045 -161038.7873 -108803.5511 300.0454 238.2282 264.0663 761118.9252 2.6214 2.5991 PRESSURE: 1989800 -143.599 -160.569 172.956 -160.569 93.9802 -96.5164 172.956 -96.5157 206.052 GPRESSURE: 1989800 -45.45 -54.4097 158.982 -222.9 109.778 -117.947 140.621 -44.7467 179.238 PRESSAVG: 1989800 -5.88555 31.2098 44.7336 31.2098 15.0676 42.1282 44.7336 42.1282 35.4625 GPRESSAVG: 1989800 -5.25757 31.199 44.3418 29.9299 16.1925 41.551 45.8266 42.8132 33.7559 TIMING: 1989800 CPU: 6289.88, 0.00315638/step Wall: 6289.88, 0.00315638/step, 2.63926 hours remaining, 233.656250 MB of memory in use. ENERGY: 1989800 4010.4669 20574.7867 14382.5689 249.5456 -203426.5562 2669.4757 0.0000 0.0000 52272.1228 -109267.5896 300.4086 -161539.7124 -108893.3972 299.6852 52.1443 81.1886 760767.8814 14.8815 14.8970 PRESSURE: 1990000 -510.71 -129.489 -40.385 -129.489 -98.7521 20.4496 -40.3846 20.4498 66.3824 GPRESSURE: 1990000 -462.778 -61.9133 -92.7871 -173.781 -122.832 123.963 -108.88 45.3931 135.318 PRESSAVG: 1990000 8.38654 41.6741 3.90784 41.6741 -9.66895 84.4933 3.90779 84.4932 -18.6747 GPRESSAVG: 1990000 9.80398 41.2601 4.87128 42.0204 -10.2096 86.0654 1.44845 82.4775 -19.2698 TIMING: 1990000 CPU: 6290.51, 0.00314442/step Wall: 6290.51, 0.00314442/step, 2.62908 hours remaining, 233.656250 MB of memory 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 4031.9512 20568.6246 14345.9180 247.4310 -203167.6784 2498.7543 0.0000 0.0000 52205.7193 -109269.2799 300.0270 -161474.9992 -108917.9529 299.6030 -181.0266 -150.0974 761229.3949 -6.6524 -6.5585 PRESSURE: 1990200 -9.41938 -20.0113 153.623 -20.0117 -195.375 90.5428 153.623 90.5437 -238.644 GPRESSURE: 1990200 -124.55 1.65143 9.20182 92.4698 19.9027 67.6747 209.814 148.287 -259.614 PRESSAVG: 1990200 28.8694 21.4757 18.6985 21.4757 -9.99397 -17.5188 18.6985 -17.5188 -33.1015 GPRESSAVG: 1990200 27.7968 23.3268 17.0768 21.2367 -9.86029 -17.7763 20.0866 -18.6394 -32.4098 TIMING: 1990200 CPU: 6291.14, 0.00316616/step Wall: 6291.14, 0.00316616/step, 2.64708 hours remaining, 233.656250 MB of memory in use. ENERGY: 1990200 4042.6467 20574.6138 14426.4352 254.3323 -202741.4684 2362.9714 0.0000 0.0000 51963.4920 -109116.9769 298.6349 -161080.4689 -108757.5054 299.5775 -147.8127 -121.4204 761861.8506 -4.7420 -4.8244 PRESSURE: 1990400 -93.0735 -89.5086 -213.184 -89.5081 -151.479 -206.75 -213.184 -206.75 -284.179 GPRESSURE: 1990400 -67.5057 -6.47058 -130.004 -97.3721 -99.5517 -246.604 -262.992 -110.434 -265.93 PRESSAVG: 1990400 -9.93052 -11.2645 11.9672 -11.2645 -12.4557 4.57412 11.9672 4.57411 28.7644 GPRESSAVG: 1990400 -10.0596 -12.9663 12.6571 -10.2255 -11.6565 4.95018 13.4449 5.01324 28.1755 TIMING: 1990400 CPU: 6291.78, 0.00316155/step Wall: 6291.78, 0.00316155/step, 2.64306 hours remaining, 233.644531 MB of memory in use. ENERGY: 1990400 4001.4895 20503.0086 14423.4343 236.3175 -203058.3569 2448.9985 0.0000 0.0000 52113.3573 -109331.7513 299.4962 -161445.1086 -108965.8515 299.6073 -176.2439 -144.3290 762374.4868 2.1261 2.1531 PRESSURE: 1990600 17.3999 -28.0289 -81.9779 -28.0289 -318.346 -258.409 -81.9782 -258.409 -131.806 GPRESSURE: 1990600 41.8537 -11.9909 -43.2752 66.8473 -376.095 -255.801 -35.2364 -192.634 -25.1217 PRESSAVG: 1990600 41.2951 -30.8261 -16.8423 -30.8261 -29.9061 -10.992 -16.8423 -10.9919 -6.20395 GPRESSAVG: 1990600 39.3451 -30.6654 -17.5233 -29.7888 -30.7721 -11.8775 -16.6398 -9.77771 -3.51909 TIMING: 1990600 CPU: 6292.41, 0.00315097/step Wall: 6292.41, 0.00315097/step, 2.63404 hours remaining, 233.656250 MB of memory in use. ENERGY: 1990600 3980.3557 20699.2537 14439.3068 236.2086 -203096.7830 2200.0037 0.0000 0.0000 52010.8380 -109530.8164 298.9070 -161541.6544 -109169.6909 299.1205 -144.2506 -119.7878 761221.0353 1.7283 1.6846 PRESSURE: 1990800 24.5376 113.315 -44.842 113.315 12.7283 -51.8952 -44.8418 -51.8957 -16.7165 GPRESSURE: 1990800 117.244 43.7851 -53.7054 137.453 31.7119 57.6136 -21.0974 -65.5324 -39.0308 PRESSAVG: 1990800 34.9847 27.1823 17.2143 27.1823 -33.3055 25.4298 17.2143 25.4298 -3.44104 GPRESSAVG: 1990800 36.5995 26.4262 17.9724 24.4795 -32.2546 26.9074 14.5778 24.0166 -5.59543 TIMING: 1990800 CPU: 6293.03, 0.00313065/step Wall: 6293.03, 0.00313065/step, 2.61688 hours remaining, 233.656250 MB of memory in use. ENERGY: 1990800 4041.1549 20580.9717 14458.3012 249.3280 -203287.8559 2630.8406 0.0000 0.0000 51911.6504 -109415.6092 298.3370 -161327.2596 -109058.7948 298.8155 6.8498 36.6418 761586.6973 -0.5873 -0.4168 PRESSURE: 1991000 170.618 166.87 95.072 166.871 141.187 54.993 95.0715 54.9934 404.173 GPRESSURE: 1991000 176.747 160.304 60.0802 110.237 179.817 -18.1015 254.752 -16.2976 445.377 PRESSAVG: 1991000 -40.5572 -26.2765 20.994 -26.2766 32.6357 -11.1074 20.994 -11.1074 1.95614 GPRESSAVG: 1991000 -41.0541 -25.5827 20.8328 -23.2268 31.2831 -13.1329 22.5549 -10.8451 3.0266 TIMING: 1991000 CPU: 6293.66, 0.00314377/step Wall: 6293.66, 0.00314377/step, 2.62767 hours remaining, 233.656250 MB of memory in use. ENERGY: 1991000 4043.7933 20608.9522 14473.0099 247.3953 -203358.4225 2815.7663 0.0000 0.0000 51969.7680 -109199.7375 298.6710 -161169.5055 -108838.7532 299.2862 238.6592 267.3141 760804.8058 -1.9885 -2.2481 PRESSURE: 1991200 -12.6185 -103.953 154.341 -103.953 -257.598 22.3113 154.341 22.3116 -193.618 GPRESSURE: 1991200 9.82166 -115.648 209.005 2.01055 -187.934 36.5077 152.895 28.6121 -205.595 PRESSAVG: 1991200 57.9543 -18.0333 71.41 -18.0333 -63.405 38.0307 71.41 38.0306 -0.217132 GPRESSAVG: 1991200 59.0738 -17.0003 70.9116 -20.5647 -61.8213 39.3958 69.5676 36.1854 -2.30427 TIMING: 1991200 CPU: 6294.29, 0.00315593/step Wall: 6294.29, 0.00315593/step, 2.63765 hours remaining, 233.656250 MB of memory in use. ENERGY: 1991200 4027.5961 20585.6084 14499.5731 266.2999 -203346.4511 2795.8513 0.0000 0.0000 51823.5087 -109348.0137 297.8304 -161171.5224 -108996.6561 299.4914 -154.6114 -127.9024 763396.3330 -1.8893 -1.6839 PRESSURE: 1991400 118.567 169.817 56.2229 169.817 64.2662 -177.87 56.2226 -177.87 204.533 GPRESSURE: 1991400 122.404 222.401 43.3709 76.3782 28.5546 -134.672 -1.08033 -153.261 312.972 PRESSAVG: 1991400 -18.6535 21.4804 8.181 21.4804 41.691 -15.9669 8.18099 -15.9669 44.0213 GPRESSAVG: 1991400 -20.2703 19.6816 9.04603 22.4736 42.4141 -15.0203 8.78649 -15.4165 44.5297 TIMING: 1991400 CPU: 6294.92, 0.00316143/step Wall: 6294.92, 0.00316143/step, 2.64208 hours remaining, 233.656250 MB of memory in use. ENERGY: 1991400 3990.8356 20545.2385 14511.6585 256.4954 -203871.2265 2884.6589 0.0000 0.0000 52248.5017 -109433.8380 300.2729 -161682.3397 -109068.8714 299.3543 129.1222 154.6435 760646.9170 22.3529 22.2245 PRESSURE: 1991600 -12.6832 248.561 -228.902 248.561 30.1901 55.6126 -228.902 55.614 -317.263 GPRESSURE: 1991600 15.9248 168.609 -145.194 232.636 50.8735 94.5801 -195.557 -10.1158 -281.721 PRESSAVG: 1991600 -13.1052 50.6618 -16.5095 50.6617 1.00896 9.3394 -16.5095 9.33941 7.25935 GPRESSAVG: 1991600 -12.082 51.313 -17.1517 50.7908 -0.0321938 8.30263 -13.528 11.6703 7.35372 TIMING: 1991600 CPU: 6295.55, 0.00314312/step Wall: 6295.55, 0.00314312/step, 2.6266 hours remaining, 233.656250 MB of memory in use. ENERGY: 1991600 4043.6220 20473.1791 14457.6824 232.3720 -203439.9210 2808.4974 0.0000 0.0000 52063.2389 -109361.3293 299.2081 -161424.5682 -109003.2223 298.8102 -99.9187 -71.6410 761844.2599 -1.6123 -1.5868 PRESSURE: 1991800 -496.548 60.8373 -131.534 60.8375 -130.068 133.086 -131.534 133.087 -57.8106 GPRESSURE: 1991800 -377.5 123.182 -110.964 27.2026 -143.273 218.76 -340.789 16.5582 -69.5905 PRESSAVG: 1991800 -28.2076 29.4558 -46.8765 29.4558 38.4125 5.75997 -46.8765 5.76002 -17.4676 GPRESSAVG: 1991800 -28.3659 29.7295 -45.7885 29.7481 38.673 6.27628 -48.481 4.05574 -17.451 TIMING: 1991800 CPU: 6296.18, 0.00314953/step Wall: 6296.18, 0.00314953/step, 2.63179 hours remaining, 233.656250 MB of memory in use. ENERGY: 1991800 3988.4838 20437.3658 14425.8061 255.5115 -203302.9301 2802.8120 0.0000 0.0000 52179.7943 -109213.1565 299.8780 -161392.9508 -108851.6481 298.9420 -228.1422 -196.7880 761434.5128 -2.4209 -2.3813 PRESSURE: 1992000 -136.516 134.659 -6.28649 134.66 199.654 -102.335 -6.28596 -102.335 272.995 GPRESSURE: 1992000 -18.5589 192.307 -12.8156 105.081 209.711 -170.751 -61.2927 -88.3261 231.83 PRESSAVG: 1992000 2.69567 19.6523 -27.0975 19.6522 -43.6196 13.7067 -27.0975 13.7067 -7.42245 GPRESSAVG: 1992000 4.03196 19.2184 -27.7481 17.9684 -45.2297 14.0937 -30.0027 12.8102 -7.34786 TIMING: 1992000 CPU: 6296.81, 0.00314983/step Wall: 6296.81, 0.00314983/step, 2.63186 hours remaining, 233.656250 MB of memory 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 3925.6994 20605.6691 14438.5053 257.0767 -202878.2613 2303.6212 0.0000 0.0000 52065.5742 -109282.1155 299.2216 -161347.6897 -108917.9339 299.4355 112.0444 140.9941 761600.0246 -16.1154 -16.1819 PRESSURE: 1992200 52.607 -30.9426 7.10494 -30.9415 -109.461 192.375 7.10487 192.375 -23.2953 GPRESSURE: 1992200 65.4844 31.71 -124.169 -21.7791 -57.8871 157.95 -31.7038 209.324 0.308011 PRESSAVG: 1992200 11.1249 8.32375 -36.9685 8.32381 -4.40638 26.7572 -36.9685 26.7572 -0.617305 GPRESSAVG: 1992200 10.1545 8.90965 -35.8922 8.7954 -4.61565 26.8904 -35.4178 27.7222 0.454692 TIMING: 1992200 CPU: 6297.44, 0.00316188/step Wall: 6297.44, 0.00316188/step, 2.64175 hours remaining, 233.656250 MB of memory in use. ENERGY: 1992200 4053.0897 20591.6572 14433.0535 233.0199 -203211.7891 2441.6446 0.0000 0.0000 52039.9097 -109419.4144 299.0741 -161459.3241 -109065.7121 298.8919 -26.7164 2.6351 761327.8637 2.0337 1.9978 LDB: ============= START OF LOAD BALANCING ============== 6309.98 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6309.98 LDB: =============== DONE WITH MIGRATION ================ 6309.98 LDB: ============= START OF LOAD BALANCING ============== 6310.3 LDB: Largest compute 7026 load 0.030239 is 15.5% of average load 0.195552 LDB: Average compute 0.004388 is 2.2% of average load 0.195552 LDB: TIME 6310.3 LOAD: AVG 0.195552 MAX 0.214128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.242 MB LDB: TIME 6310.3 LOAD: AVG 0.195552 MAX 0.214128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.281 MB LDB: TIME 6310.3 LOAD: AVG 0.195552 MAX 0.214128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.281 MB LDB: ============== END OF LOAD BALANCING =============== 6310.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6310.31 PRESSURE: 1992400 -261.297 121.102 -158.552 121.102 -123.496 -24.0075 -158.552 -24.0081 -487.084 GPRESSURE: 1992400 -229.069 88.9985 -66.4505 64.3506 -65.4675 -35.3977 -101.064 -88.2974 -497.43 PRESSAVG: 1992400 5.28891 62.7986 37.5593 62.7986 15.3764 57.7272 37.5594 57.7272 2.92799 GPRESSAVG: 1992400 3.91577 62.5273 35.2137 63.2378 17.2953 57.7208 40.0021 57.3952 1.77448 TIMING: 1992400 CPU: 6298.09, 0.0032403/step Wall: 6298.09, 0.0032403/step, 2.70709 hours remaining, 234.738281 MB of memory in use. ENERGY: 1992400 3995.1807 20563.4779 14498.7394 256.0687 -203285.1474 2743.9220 0.0000 0.0000 51833.8986 -109393.8601 297.8901 -161227.7587 -109038.0966 299.1385 -290.6258 -263.9888 762500.8614 7.8644 7.6619 PRESSURE: 1992600 -260.781 -130.924 -223.762 -130.924 -246.303 -124.283 -223.762 -124.284 -589.511 GPRESSURE: 1992600 -182.004 -208.676 -327.756 -11.2017 -267.876 -135.97 -34.8824 -124.27 -546.634 PRESSAVG: 1992600 58.4148 37.4699 -18.6675 37.47 -48.1673 47.4598 -18.6675 47.4598 13.0344 GPRESSAVG: 1992600 59.1581 36.6021 -17.3032 38.7299 -48.3419 48.729 -19.9356 47.7968 12.5701 TIMING: 1992600 CPU: 6298.72, 0.00314457/step Wall: 6298.72, 0.00314457/step, 2.62694 hours remaining, 234.738281 MB of memory in use. ENERGY: 1992600 4015.3104 20550.8178 14474.2447 260.3931 -203234.6436 2608.9574 0.0000 0.0000 51963.1547 -109361.7655 298.6330 -161324.9202 -109008.7025 298.8397 -365.5318 -332.1713 763146.5811 7.7606 7.7954 PRESSURE: 1992800 -78.0566 -77.0771 224.188 -77.0768 -190.6 -100.191 224.188 -100.191 33.5063 GPRESSURE: 1992800 -54.38 -79.5167 280.449 37.3436 -21.5573 -65.2921 197.989 -76.9601 -61.1037 PRESSAVG: 1992800 -11.5047 -3.65522 6.76161 -3.65524 4.05675 30.1833 6.76154 30.1833 -30.2922 GPRESSAVG: 1992800 -11.3648 -5.38372 6.05875 -3.75479 2.982 27.5865 6.41524 32.3767 -28.578 TIMING: 1992800 CPU: 6299.35, 0.00316524/step Wall: 6299.35, 0.00316524/step, 2.64403 hours remaining, 234.738281 MB of memory in use. ENERGY: 1992800 3884.3364 20704.6879 14514.5686 239.6045 -203330.3744 2720.9541 0.0000 0.0000 51991.9391 -109274.2836 298.7984 -161266.2228 -108906.8078 299.2902 -78.3836 -45.6803 763953.1008 -12.5801 -12.3203 PRESSURE: 1993000 -253.488 -248.209 -112.818 -248.208 106.086 114.22 -112.818 114.22 -128.511 GPRESSURE: 1993000 -161.604 -218.853 -124.304 -121.479 125.414 129.638 -23.1421 -7.89796 -154.832 PRESSAVG: 1993000 25.399 13.4914 -5.19776 13.4914 -41.3505 22.8756 -5.1978 22.8756 -14.8712 GPRESSAVG: 1993000 25.493 14.739 -4.79578 12.6643 -40.4705 23.8833 -5.46377 19.5641 -16.2164 TIMING: 1993000 CPU: 6299.99, 0.00315288/step Wall: 6299.99, 0.00315288/step, 2.63353 hours remaining, 234.738281 MB of memory in use. ENERGY: 1993000 3884.1341 20578.0958 14451.7028 243.0328 -203204.5347 2382.3351 0.0000 0.0000 52192.3113 -109472.9229 299.9499 -161665.2342 -109116.7375 299.1501 -91.9710 -63.6739 761073.3256 -10.2742 -10.3979 PRESSURE: 1993200 -202.982 -29.9315 -8.15585 -29.9309 81.2533 -188.877 -8.15653 -188.877 26.3887 GPRESSURE: 1993200 -120.936 -25.344 21.6005 -50.7732 55.1902 -129.413 82.9457 4.62808 49.2586 PRESSAVG: 1993200 10.8129 -31.972 -32.608 -31.972 -16.4475 -4.74398 -32.608 -4.744 35.929 GPRESSAVG: 1993200 10.8891 -31.2533 -32.5647 -31.1745 -16.8909 -3.17859 -33.1011 -4.44782 36.3836 TIMING: 1993200 CPU: 6300.62, 0.00315371/step Wall: 6300.62, 0.00315371/step, 2.63405 hours remaining, 234.738281 MB of memory in use. ENERGY: 1993200 4004.5277 20621.9184 14466.2845 258.6025 -203222.4525 2718.6804 0.0000 0.0000 51784.7964 -109367.6426 297.6079 -161152.4391 -109008.5674 299.1211 -31.7799 -5.4959 762819.8160 10.0981 10.1273 PRESSURE: 1993400 128.755 169.89 -253.663 169.889 269.181 12.2331 -253.662 12.232 409.998 GPRESSURE: 1993400 208.141 145.295 -158.992 183.381 247.018 -5.03697 -153.794 -25.8729 435.335 PRESSAVG: 1993400 -4.24031 56.6307 42.0293 56.6307 5.06329 -0.716818 42.0293 -0.716874 22.8929 GPRESSAVG: 1993400 -3.5374 55.0701 42.5009 55.601 5.48081 -2.77815 43.8194 2.38608 22.3127 TIMING: 1993400 CPU: 6301.25, 0.0031712/step Wall: 6301.25, 0.0031712/step, 2.64848 hours remaining, 234.738281 MB of memory in use. ENERGY: 1993400 3973.5034 20453.3328 14528.9742 244.3048 -203414.6241 2959.8994 0.0000 0.0000 51773.4614 -109481.1482 297.5428 -161254.6096 -109136.7158 298.8273 269.3111 296.8310 760403.6640 7.9053 8.0854 PRESSURE: 1993600 -168.394 -113.037 148.819 -113.036 -198.189 -225.676 148.819 -225.676 -120.487 GPRESSURE: 1993600 -176.136 -55.5297 15.9425 -44.2385 -188.264 -283.994 137.713 -87.3563 -58.5426 PRESSAVG: 1993600 4.47164 -43.9037 58.8625 -43.9037 -16.9439 -36.7757 58.8625 -36.7757 -0.713099 GPRESSAVG: 1993600 3.13326 -41.3032 57.5942 -42.3154 -16.7044 -36.7697 56.4038 -37.5806 0.442642 TIMING: 1993600 CPU: 6301.88, 0.00314313/step Wall: 6301.88, 0.00314313/step, 2.62486 hours remaining, 234.738281 MB of memory in use. ENERGY: 1993600 3985.8902 20568.5098 14470.0487 264.1867 -203256.8011 2450.8699 0.0000 0.0000 52168.7482 -109348.5477 299.8145 -161517.2959 -108985.1642 298.9157 -162.3567 -140.9810 761855.7234 -4.3951 -4.3762 PRESSURE: 1993800 15.7858 -135.207 110.769 -135.208 -587.817 -231.311 110.77 -231.313 183.475 GPRESSURE: 1993800 -17.0538 -113.605 182.139 -83.4929 -382.98 -236.582 93.3015 -132.626 120.703 PRESSAVG: 1993800 0.367859 -28.7195 -8.35119 -28.7194 -10.8391 25.795 -8.35116 25.7949 26.5329 GPRESSAVG: 1993800 2.00817 -27.3908 -6.88494 -31.8459 -11.2127 26.8068 -6.27222 24.9091 25.365 TIMING: 1993800 CPU: 6302.51, 0.00313513/step Wall: 6302.51, 0.00313513/step, 2.61801 hours remaining, 234.738281 MB of memory in use. ENERGY: 1993800 3976.3860 20678.7152 14494.3523 245.6396 -203168.4034 2456.2534 0.0000 0.0000 52003.6220 -109313.4348 298.8655 -161317.0568 -108953.3570 299.1943 -129.5188 -93.1103 762730.2434 5.3539 5.3868 PRESSURE: 1994000 213.668 69.1225 113.649 69.1222 114.601 71.9347 113.649 71.9344 -223.865 GPRESSURE: 1994000 257.757 138.302 84.3401 75.9855 115.897 42.6331 66.3621 111.67 -190.661 PRESSAVG: 1994000 32.4503 -34.0797 -7.23397 -34.0797 -70.8749 8.59012 -7.23398 8.59013 -8.27423 GPRESSAVG: 1994000 30.796 -35.8145 -7.46413 -31.6727 -69.9813 9.19549 -8.97412 5.23998 -7.3575 TIMING: 1994000 CPU: 6303.14, 0.00315351/step Wall: 6303.14, 0.00315351/step, 2.63318 hours remaining, 234.941406 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: 1994000 3967.4179 20559.6336 14443.1067 238.8765 -203299.8637 2657.4272 0.0000 0.0000 52095.7986 -109337.6033 299.3953 -161433.4018 -108967.5524 298.8586 34.8011 60.9975 762864.3385 -15.5663 -15.5142 PRESSURE: 1994200 85.1226 127.309 31.3318 127.309 385.968 40.4133 31.3318 40.4131 76.1315 GPRESSURE: 1994200 182.321 161.894 -24.7098 53.2054 406.916 23.6442 59.7624 -17.4656 58.6278 PRESSAVG: 1994200 -62.9707 26.9771 0.884273 26.9771 76.0444 -49.3978 0.884293 -49.3978 22.3762 GPRESSAVG: 1994200 -61.7515 25.4051 0.347286 26.7475 75.5513 -49.123 0.469242 -46.9953 20.9728 TIMING: 1994200 CPU: 6303.77, 0.00314698/step Wall: 6303.77, 0.00314698/step, 2.62755 hours remaining, 234.941406 MB of memory in use. ENERGY: 1994200 3972.5045 20460.9091 14531.3926 258.2690 -203732.6571 3033.7899 0.0000 0.0000 52202.3672 -109273.4247 300.0077 -161475.7919 -108894.5339 298.9506 182.4074 215.9547 760998.8774 11.8167 11.5908 PRESSURE: 1994400 90.4979 -106.82 107.219 -106.82 -44.544 -39.0501 107.219 -39.0501 -92.9249 GPRESSURE: 1994400 175.256 -133.974 55.4284 -166.656 -4.97476 6.77834 116.277 13.5433 -145.768 PRESSAVG: 1994400 17.7129 -29.9723 -1.65073 -29.9723 -9.08109 4.07968 -1.65068 4.07967 -23.4589 GPRESSAVG: 1994400 17.7987 -27.8706 -1.78415 -30.8292 -10.8079 4.87545 -2.41133 3.70551 -21.9446 TIMING: 1994400 CPU: 6304.4, 0.00316577/step Wall: 6304.4, 0.00316577/step, 2.64306 hours remaining, 234.941406 MB of memory in use. ENERGY: 1994400 4121.4692 20549.7772 14401.7877 231.3117 -203363.0596 2624.7811 0.0000 0.0000 52125.2236 -109308.7092 299.5644 -161433.9328 -108943.1377 299.2822 -15.6570 8.1712 762125.2326 -4.9423 -4.9846 PRESSURE: 1994600 -334.794 16.6223 31.8237 16.6212 -410.016 112.216 31.8249 112.217 -267.314 GPRESSURE: 1994600 -373.405 46.7745 47.8948 17.7354 -410.793 77.5259 38.2761 101.169 -135.417 PRESSAVG: 1994600 42.7846 19.1454 11.919 19.1454 -67.0809 -7.20089 11.9191 -7.20074 21.9898 GPRESSAVG: 1994600 41.4564 19.8934 12.4887 18.908 -65.0622 -10.6722 14.349 -6.83555 21.3569 TIMING: 1994600 CPU: 6305.03, 0.00314522/step Wall: 6305.03, 0.00314522/step, 2.62574 hours remaining, 234.941406 MB of memory in use. ENERGY: 1994600 3975.3095 20609.4729 14447.8715 253.2854 -203058.7062 2567.3124 0.0000 0.0000 51995.7707 -109209.6838 298.8204 -161205.4545 -108847.2934 299.2661 -337.3749 -306.5382 762370.3623 -0.7688 -0.7497 PRESSURE: 1994800 143.966 5.34834 44.5708 5.34851 -10.8398 48.7181 44.5706 48.7181 119.913 GPRESSURE: 1994800 105.478 75.4084 79.4765 130.971 144.642 81.7245 -41.8493 45.2963 88.3514 PRESSAVG: 1994800 -24.339 11.5144 13.8001 11.5144 17.1853 35.6646 13.8001 35.6646 13.7092 GPRESSAVG: 1994800 -24.0542 11.6351 13.9648 12.9851 17.0869 36.652 14.1076 36.7275 13.2985 TIMING: 1994800 CPU: 6305.66, 0.00314831/step Wall: 6305.66, 0.00314831/step, 2.62814 hours remaining, 234.941406 MB of memory in use. ENERGY: 1994800 3986.3940 20450.0581 14480.6992 269.4202 -203322.5841 2682.1553 0.0000 0.0000 52203.2650 -109250.5924 300.0129 -161453.8574 -108887.2896 299.5662 84.3465 112.8236 762139.3854 2.1851 2.1104 PRESSURE: 1995000 -0.0943515 93.0893 160.643 93.0887 170.38 -97.9204 160.642 -97.9205 114.521 GPRESSURE: 1995000 69.1738 96.8286 178.31 155.012 183.108 -16.5528 237.758 -237.24 130.354 PRESSAVG: 1995000 7.05229 -4.54489 -8.77606 -4.54493 -14.2404 -2.13072 -8.77606 -2.13082 -11.8195 GPRESSAVG: 1995000 6.21766 -7.03419 -11.9933 -3.15173 -14.3403 -0.562934 -9.92504 -1.97505 -11.4533 TIMING: 1995000 CPU: 6306.29, 0.00315596/step Wall: 6306.29, 0.00315596/step, 2.63435 hours remaining, 234.941406 MB of memory in use. ENERGY: 1995000 3850.2903 20497.3532 14458.5892 264.8571 -203190.0397 2619.9118 0.0000 0.0000 51929.4684 -109569.5696 298.4394 -161499.0380 -109202.9739 299.0220 94.9357 127.5453 761734.5284 -6.3359 -6.5253 PRESSURE: 1995200 77.1205 -27.3963 257.936 -27.397 -58.9133 -155.141 257.935 -155.14 -296.196 GPRESSURE: 1995200 126.088 -33.6239 190.895 -124.212 1.09741 -155.045 217.033 -151.904 -304.927 PRESSAVG: 1995200 -16.218 -25.5034 -2.34693 -25.5033 -11.2519 -26.8278 -2.34698 -26.8277 -34.8852 GPRESSAVG: 1995200 -15.497 -24.4418 -0.395679 -27.0318 -12.4541 -28.0126 -1.74221 -28.6644 -34.3577 TIMING: 1995200 CPU: 6306.92, 0.00314619/step Wall: 6306.92, 0.00314619/step, 2.62602 hours remaining, 234.941406 MB of memory in use. ENERGY: 1995200 3956.7414 20463.4606 14418.4675 249.2607 -203308.0527 2748.2412 0.0000 0.0000 51958.1748 -109513.7066 298.6043 -161471.8814 -109156.6553 299.0100 -92.6630 -59.2473 762794.1575 -20.7850 -20.7696 PRESSURE: 1995400 107.292 1.94254 125.481 1.94236 14.6577 1.62442 125.481 1.62438 21.3369 GPRESSURE: 1995400 184.664 -43.7515 108.857 -34.2713 26.9671 -60.359 190.579 82.8126 5.89908 PRESSAVG: 1995400 -53.357 -32.5489 -18.0027 -32.5489 24.5008 36.7868 -18.0027 36.7869 -20.1681 GPRESSAVG: 1995400 -52.6911 -33.9936 -16.2265 -33.2592 24.4905 36.7493 -19.2296 36.3983 -20.3352 TIMING: 1995400 CPU: 6307.55, 0.00314121/step Wall: 6307.55, 0.00314121/step, 2.62169 hours remaining, 234.941406 MB of memory in use. ENERGY: 1995400 3914.6181 20418.5793 14413.3442 237.7372 -203422.1448 2623.0156 0.0000 0.0000 51992.3342 -109822.5163 298.8007 -161814.8505 -109464.0996 298.3121 47.7621 72.5100 761827.8302 -16.3414 -16.1786 PRESSURE: 1995600 304.863 -32.6334 164.638 -32.6325 387.573 -10.0662 164.638 -10.0675 -23.4209 GPRESSURE: 1995600 368.13 -19.9947 144.151 -12.3571 377.36 38.0591 89.4677 -15.0218 14.5382 PRESSAVG: 1995600 29.0627 -30.8443 15.5969 -30.8443 19.2324 73.542 15.5969 73.542 9.95389 GPRESSAVG: 1995600 28.9711 -29.6265 14.5474 -30.2546 19.4516 73.4768 17.4237 75.7937 10.0659 TIMING: 1995600 CPU: 6308.18, 0.00316039/step Wall: 6308.18, 0.00316039/step, 2.63752 hours remaining, 234.941406 MB of memory in use. ENERGY: 1995600 4011.7579 20664.0620 14498.4365 257.7484 -203714.5639 2786.5037 0.0000 0.0000 52009.4190 -109486.6365 298.8988 -161496.0554 -109132.0379 298.4189 223.0049 253.3428 760405.5401 19.4163 19.4962 PRESSURE: 1995800 -277.682 -74.4919 5.83527 -74.4922 30.0058 156.021 5.83502 156.022 -242.092 GPRESSURE: 1995800 -315.298 -11.3797 -93.0572 -103.802 114.317 218.931 -87.5982 186.638 -201.435 PRESSAVG: 1995800 14.9935 -0.28621 -10.3373 -0.286269 -33.8002 37.4432 -10.3373 37.4431 -5.55559 GPRESSAVG: 1995800 13.8117 -2.02201 -11.9802 0.17842 -32.3401 37.5045 -10.3825 36.356 -5.8538 TIMING: 1995800 CPU: 6308.81, 0.00314394/step Wall: 6308.81, 0.00314394/step, 2.62362 hours remaining, 234.941406 MB of memory in use. ENERGY: 1995800 4047.0097 20511.2064 14501.2444 249.5017 -203576.7125 2755.4152 0.0000 0.0000 52003.2701 -109509.0649 298.8635 -161512.3350 -109152.5094 299.5059 -163.2561 -134.1387 760470.3585 -8.1208 -8.1274 PRESSURE: 1996000 -149.937 -263.048 187.643 -263.048 163.965 57.2578 187.644 57.2572 80.8724 GPRESSURE: 1996000 -58.6029 -236.22 114.77 -326.422 121.122 -12.0973 94.321 38.3093 118.176 PRESSAVG: 1996000 31.4859 43.2482 -8.41873 43.2482 9.13925 33.5928 -8.41876 33.5928 18.2211 GPRESSAVG: 1996000 33.2747 43.8921 -7.89418 42.4746 7.89113 34.6704 -9.71418 33.7921 17.4239 TIMING: 1996000 CPU: 6309.44, 0.00315169/step Wall: 6309.44, 0.00315169/step, 2.62991 hours remaining, 234.941406 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: 1996000 4013.8715 20601.9580 14470.1853 239.0789 -203594.5273 2831.1530 0.0000 0.0000 52121.0267 -109317.2539 299.5403 -161438.2806 -108956.3824 298.8384 31.6334 60.2316 761792.0381 19.6154 19.5299 PRESSURE: 1996200 270.045 98.8529 156.418 98.8521 53.2545 -141.748 156.419 -141.748 59.188 GPRESSURE: 1996200 170.208 2.64556 120.787 14.7557 290.007 -173.228 184.447 -172.472 0.128376 PRESSAVG: 1996200 4.33228 11.0749 30.3183 11.0749 16.5221 -37.4154 30.3182 -37.4154 -4.7878 GPRESSAVG: 1996200 3.68484 11.9141 32.0508 10.0258 17.3853 -38.5503 29.2798 -38.4533 -4.78898 TIMING: 1996200 CPU: 6310.07, 0.00315206/step Wall: 6310.07, 0.00315206/step, 2.63004 hours remaining, 234.941406 MB of memory in use. ENERGY: 1996200 3977.5972 20563.8178 14492.9499 253.7159 -203447.2226 2618.8599 0.0000 0.0000 52267.8050 -109272.4768 300.3838 -161540.2818 -108907.8854 299.5323 127.4960 153.4477 761194.1232 5.3555 5.4271 LDB: ============= START OF LOAD BALANCING ============== 6322.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6322.6 LDB: =============== DONE WITH MIGRATION ================ 6322.6 LDB: ============= START OF LOAD BALANCING ============== 6322.92 LDB: Largest compute 7026 load 0.030324 is 15.5% of average load 0.195483 LDB: Average compute 0.004382 is 2.2% of average load 0.195483 LDB: TIME 6322.92 LOAD: AVG 0.195483 MAX 0.214121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.969 MB LDB: TIME 6322.92 LOAD: AVG 0.195483 MAX 0.214121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.992 MB LDB: TIME 6322.92 LOAD: AVG 0.195483 MAX 0.214121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.992 MB LDB: ============== END OF LOAD BALANCING =============== 6322.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6322.93 PRESSURE: 1996400 -286.838 98.7967 -177.735 98.7968 -28.4129 36.8764 -177.735 36.8766 -12.5845 GPRESSURE: 1996400 -181.902 70.3736 -173.392 103.426 -12.2646 76.1343 -155.981 64.7378 -61.5171 PRESSAVG: 1996400 -30.6182 -3.1479 10.4167 -3.14793 -1.20247 -47.6459 10.4167 -47.646 -10.3567 GPRESSAVG: 1996400 -31.8642 -3.07176 9.07948 -1.88302 -0.765768 -47.1048 11.1081 -45.2282 -9.86878 TIMING: 1996400 CPU: 6310.71, 0.00321908/step Wall: 6310.71, 0.00321908/step, 2.68578 hours remaining, 234.882812 MB of memory in use. ENERGY: 1996400 4120.3640 20579.2966 14512.8902 234.4498 -203462.1869 2789.1997 0.0000 0.0000 52112.5748 -109113.4119 299.4917 -161225.9867 -108759.6467 299.9710 -109.2784 -85.2278 762478.9204 -14.0591 -14.1662 PRESSURE: 1996600 -121.658 -208.174 -15.5438 -208.174 78.957 -122.604 -15.5439 -122.604 -83.6058 GPRESSURE: 1996600 28.328 -239.041 -59.4938 -167.022 -22.6793 -42.9614 -33.0706 -126.76 -62.16 PRESSAVG: 1996600 -23.8991 -26.768 31.6292 -26.768 15.1469 21.0416 31.6291 21.0417 3.09777 GPRESSAVG: 1996600 -22.097 -28.8346 30.4707 -26.8927 13.219 20.421 32.2556 19.1957 2.69521 TIMING: 1996600 CPU: 6311.35, 0.00316605/step Wall: 6311.35, 0.00316605/step, 2.64136 hours remaining, 235.085938 MB of memory in use. ENERGY: 1996600 3957.7530 20554.5541 14435.3942 234.9591 -203324.2556 2408.7961 0.0000 0.0000 52364.0114 -109368.7876 300.9367 -161732.7990 -109002.0197 299.7368 -42.1021 -18.8371 761378.6988 -1.8848 -2.0609 PRESSURE: 1996800 -218.881 42.027 -144.471 42.0272 -379.041 -49.5714 -144.472 -49.5714 -304.863 GPRESSURE: 1996800 -182.821 14.3613 -143.086 149.615 -278.748 -117.034 -94.1436 99.4712 -364.269 PRESSAVG: 1996800 7.11518 -62.3885 -22.9936 -62.3885 -35.1508 -9.27392 -22.9936 -9.27388 -22.7059 GPRESSAVG: 1996800 6.52478 -61.8423 -21.9292 -62.2009 -35.013 -10.9159 -23.5229 -8.60969 -22.6447 TIMING: 1996800 CPU: 6311.98, 0.00315975/step Wall: 6311.98, 0.00315975/step, 2.63594 hours remaining, 235.085938 MB of memory in use. ENERGY: 1996800 4024.0665 20558.3789 14438.9681 239.7501 -202826.0703 2321.4995 0.0000 0.0000 51930.6568 -109312.7503 298.4462 -161243.4071 -108948.6410 299.3837 -300.9283 -275.2795 764017.8995 -16.9138 -17.0443 PRESSURE: 1997000 43.5303 -1.40225 58.8724 -1.40142 -244.135 118.718 58.8726 118.718 -265.241 GPRESSURE: 1997000 34.3442 -1.58012 64.9115 80.5954 -127.401 92.1642 26.9138 51.2603 -274.911 PRESSAVG: 1997000 41.9072 57.2986 16.0569 57.2985 -37.1841 6.15563 16.0569 6.15561 -10.9586 GPRESSAVG: 1997000 41.6428 56.3251 16.1391 57.8227 -36.8262 7.12971 17.0715 5.34316 -10.6084 TIMING: 1997000 CPU: 6312.61, 0.00314313/step Wall: 6312.61, 0.00314313/step, 2.62189 hours remaining, 235.085938 MB of memory in use. ENERGY: 1997000 4024.8193 20512.2616 14481.0379 241.3431 -203374.7725 2667.6211 0.0000 0.0000 52192.9135 -109254.7760 299.9534 -161447.6895 -108887.0391 299.6922 -155.2817 -122.6559 761881.6576 -2.0785 -1.9306 PRESSURE: 1997200 -339.512 89.7692 -12.1935 89.7689 -378.628 -65.295 -12.1937 -65.2953 38.1385 GPRESSURE: 1997200 -175.414 68.9804 46.8127 164.317 -444.725 -120.648 -52.0247 -34.4497 13.9657 PRESSAVG: 1997200 35.8103 -9.46418 -9.53402 -9.46416 -14.4925 8.48855 -9.53404 8.48856 -14.9538 GPRESSAVG: 1997200 35.9676 -8.83199 -8.76556 -11.0374 -13.8148 8.57015 -11.3499 8.97806 -16.2089 TIMING: 1997200 CPU: 6313.24, 0.00315665/step Wall: 6313.24, 0.00315665/step, 2.633 hours remaining, 235.085938 MB of memory in use. ENERGY: 1997200 3989.0311 20620.4082 14554.8614 254.3477 -203164.0521 2393.2642 0.0000 0.0000 52009.4456 -109342.6939 298.8990 -161352.1395 -108978.4041 299.6224 -226.6672 -202.0577 762859.1889 2.1214 1.9813 PRESSURE: 1997400 321.108 -21.2105 -176.385 -21.2099 -161.05 -33.6461 -176.384 -33.6458 -358.72 GPRESSURE: 1997400 284.759 -59.3783 -163.871 43.5766 -80.8282 87.1394 -42.4378 -4.17987 -333.003 PRESSAVG: 1997400 32.0915 -37.2931 21.5755 -37.2931 -17.5619 6.55528 21.5755 6.55532 -17.8711 GPRESSAVG: 1997400 31.6298 -35.0376 20.3799 -37.9979 -18.1904 7.23814 24.2387 7.85381 -16.7965 TIMING: 1997400 CPU: 6313.87, 0.00316358/step Wall: 6313.87, 0.00316359/step, 2.63861 hours remaining, 235.085938 MB of memory in use. ENERGY: 1997400 4054.5454 20498.2403 14440.9574 247.8095 -203578.0886 2845.2495 0.0000 0.0000 52245.2170 -109246.0695 300.2540 -161491.2865 -108880.8986 299.2680 -66.2205 -43.0242 762253.7704 -1.1138 -1.1191 PRESSURE: 1997600 376.61 320.993 -3.7911 320.993 203.863 100.956 -3.7912 100.956 258.788 GPRESSURE: 1997600 368.763 226.699 -85.9967 316.974 311.256 31.916 169.125 85.3263 236.028 PRESSAVG: 1997600 39.7654 22.0791 -23.521 22.0791 12.3209 -4.38072 -23.5209 -4.38071 -8.5601 GPRESSAVG: 1997600 40.5532 19.9921 -23.1754 23.7087 12.0749 -3.50448 -25.7619 -8.96992 -9.50894 TIMING: 1997600 CPU: 6314.5, 0.0031549/step Wall: 6314.5, 0.0031549/step, 2.63119 hours remaining, 235.085938 MB of memory in use. ENERGY: 1997600 3922.4541 20543.4986 14420.1436 247.8231 -203007.0774 2519.0149 0.0000 0.0000 52254.9233 -109099.2199 300.3098 -161354.1432 -108739.3522 299.9100 279.7535 305.3488 760797.4956 14.5087 14.3730 PRESSURE: 1997800 119.822 211.091 -147.155 211.092 453.927 -73.8246 -147.155 -73.8247 619.731 GPRESSURE: 1997800 224.668 134.583 -137.091 88.3345 380.531 -132.668 -210.433 -87.2854 659.54 PRESSAVG: 1997800 -26.153 104.83 -9.47391 104.83 10.9967 36.4389 -9.47384 36.4388 5.91796 GPRESSAVG: 1997800 -26.1024 105.514 -11.1041 105.499 9.9144 35.8003 -8.6524 38.2285 6.72483 TIMING: 1997800 CPU: 6315.13, 0.00316598/step Wall: 6315.13, 0.00316598/step, 2.64025 hours remaining, 235.085938 MB of memory in use. ENERGY: 1997800 3931.8981 20753.3383 14477.9259 255.7202 -203755.7994 3056.7986 0.0000 0.0000 52012.7895 -109267.3289 298.9182 -161280.1184 -108907.1082 299.6778 397.8268 421.5797 761546.3082 -3.0795 -3.1544 PRESSURE: 1998000 -94.4028 32.0533 -114.945 32.0532 -75.7447 279.908 -114.945 279.908 -165.785 GPRESSURE: 1998000 -52.0601 12.5998 1.25896 -54.6588 -85.9088 281.41 -70.4076 284.498 -105.917 PRESSAVG: 1998000 -13.9732 34.9492 14.508 34.9493 -15.4206 26.0806 14.5081 26.0806 -28.4021 GPRESSAVG: 1998000 -13.9622 34.2727 17.3342 34.92 -14.6028 25.4297 13.2421 25.9027 -29.2992 TIMING: 1998000 CPU: 6315.77, 0.0031567/step Wall: 6315.77, 0.0031567/step, 2.63234 hours remaining, 235.085938 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: 1998000 3930.0177 20632.8183 14468.4958 255.7956 -203017.8877 2504.5675 0.0000 0.0000 51727.5031 -109498.6898 297.2787 -161226.1929 -109143.0851 299.3176 -111.9776 -81.2953 763370.9037 -19.2653 -19.2881 PRESSURE: 1998200 252.37 119.35 -224.624 119.35 115.301 38.5004 -224.624 38.5006 -99.7681 GPRESSURE: 1998200 184.645 190.001 -330.939 60.972 192.145 54.9858 -222.587 135.643 -39.5495 PRESSAVG: 1998200 42.5491 21.0733 4.06305 21.0733 -4.55856 38.2734 4.06303 38.2733 17.9855 GPRESSAVG: 1998200 42.0792 20.1428 3.46942 20.3962 -4.94016 37.2366 5.0696 41.5712 19.1026 TIMING: 1998200 CPU: 6316.4, 0.00315642/step Wall: 6316.4, 0.00315642/step, 2.63193 hours remaining, 235.085938 MB of memory in use. ENERGY: 1998200 3998.5965 20646.7161 14455.6026 260.5459 -203429.5363 2840.9349 0.0000 0.0000 51956.7076 -109270.4327 298.5959 -161227.1403 -108909.0600 299.0806 89.3011 112.4136 762054.4805 18.6587 18.7472 PRESSURE: 1998400 39.7535 -67.9825 334.431 -67.9827 73.0669 -51.9765 334.431 -51.9758 77.9238 GPRESSURE: 1998400 26.1696 -89.488 139.06 7.86198 96.4185 -42.4941 150.431 -39.7954 156.34 PRESSAVG: 1998400 22.0491 -47.1816 -41.7045 -47.1817 -30.5345 63.1755 -41.7045 63.1755 -16.295 GPRESSAVG: 1998400 20.9477 -46.6259 -42.4366 -47.4331 -29.284 64.4656 -42.4507 61.4746 -16.0636 TIMING: 1998400 CPU: 6317.03, 0.00315618/step Wall: 6317.03, 0.00315618/step, 2.63156 hours remaining, 235.085938 MB of memory in use. ENERGY: 1998400 3991.2944 20655.2661 14468.4304 242.0770 -203338.7614 2894.1272 0.0000 0.0000 51914.7996 -109172.7667 298.3551 -161087.5663 -108814.4769 299.5559 63.5814 92.9761 761521.4242 -8.2601 -8.1333 PRESSURE: 1998600 -266.558 91.8833 -144.52 91.8834 -210.859 -9.93602 -144.52 -9.93458 -27.3824 GPRESSURE: 1998600 -253.645 29.2901 -99.4476 78.3046 -195.727 -54.9236 -22.5997 4.63122 36.9044 PRESSAVG: 1998600 -8.97504 -48.395 -9.51774 -48.395 14.0106 4.44122 -9.51779 4.44114 8.21939 GPRESSAVG: 1998600 -7.39419 -48.8258 -10.1335 -47.4559 11.6713 4.6738 -10.2038 1.17841 9.03423 TIMING: 1998600 CPU: 6317.66, 0.0031482/step Wall: 6317.66, 0.0031482/step, 2.62472 hours remaining, 235.085938 MB of memory in use. ENERGY: 1998600 4001.5501 20504.5594 14506.9129 262.9555 -203069.9710 2380.3672 0.0000 0.0000 52186.3035 -109227.3225 299.9154 -161413.6260 -108859.9082 299.5725 -168.2663 -137.4893 761643.5165 4.4183 4.4371 PRESSURE: 1998800 135.029 -182.233 11.3874 -182.234 324.969 52.286 11.3868 52.2866 142.18 GPRESSURE: 1998800 211.872 -46.8838 -20.6076 -162.668 345.307 108.085 97.7636 19.1656 125.274 PRESSAVG: 1998800 -53.4691 -54.3714 28.0804 -54.3714 44.2853 9.88679 28.0805 9.88675 10.0203 GPRESSAVG: 1998800 -54.8967 -55.1195 29.5396 -54.2712 45.3947 7.01591 30.5162 13.9858 10.2631 TIMING: 1998800 CPU: 6318.29, 0.00314848/step Wall: 6318.29, 0.00314848/step, 2.62478 hours remaining, 235.085938 MB of memory in use. ENERGY: 1998800 4085.1348 20593.9876 14516.0296 245.5456 -203299.6404 2761.3864 0.0000 0.0000 51999.0427 -109098.5138 298.8392 -161097.5565 -108731.5944 299.7163 200.7260 227.4845 761730.6254 0.2788 0.2537 PRESSURE: 1999000 -176.428 -79.2885 132.819 -79.2889 -141.558 -119.896 132.819 -119.896 -168.708 GPRESSURE: 1999000 -229.432 -92.7333 170.628 -55.8122 -138.667 -32.191 184.297 117.819 -47.3402 PRESSAVG: 1999000 -24.9024 -6.7516 -3.49553 -6.75164 80.937 13.4158 -3.49558 13.4158 6.59137 GPRESSAVG: 1999000 -23.8348 -5.08581 -4.98797 -8.97474 80.821 13.4774 -4.98589 13.8835 5.48729 TIMING: 1999000 CPU: 6318.92, 0.00314423/step Wall: 6318.92, 0.00314423/step, 2.62106 hours remaining, 235.085938 MB of memory in use. ENERGY: 1999000 4028.2771 20544.7908 14554.6674 252.6892 -203716.5637 2801.7067 0.0000 0.0000 52262.6219 -109271.8107 300.3540 -161534.4325 -108911.8212 299.9038 -162.2312 -138.4797 761365.3934 20.8753 20.8245 PRESSURE: 1999200 -116.157 236.071 -194.668 236.071 -168.637 -32.9446 -194.667 -32.9436 -334.644 GPRESSURE: 1999200 -85.4212 239.352 -205.35 179.716 -131.148 93.0906 -287.556 -75.749 -315.742 PRESSAVG: 1999200 -39.6681 7.59363 -11.26 7.59356 37.783 28.5291 -11.26 28.5291 -25.3928 GPRESSAVG: 1999200 -41.6202 6.04984 -9.35914 9.04824 38.6993 30.0764 -12.5008 27.9735 -24.2701 TIMING: 1999200 CPU: 6319.55, 0.00314758/step Wall: 6319.55, 0.00314758/step, 2.62368 hours remaining, 235.085938 MB of memory in use. ENERGY: 1999200 4043.5305 20529.5039 14499.8530 249.8237 -203307.3934 2530.3094 0.0000 0.0000 52112.0650 -109342.3080 299.4888 -161454.3730 -108975.8031 299.5799 -206.4796 -177.4372 763723.1953 -9.0926 -9.0637 PRESSURE: 1999400 40.3109 1.95955 46.9117 1.959 -51.9713 338.272 46.9114 338.271 12.5153 GPRESSURE: 1999400 132.961 121.765 130.232 -11.619 -36.2522 274.086 106.538 239.514 1.29507 PRESSAVG: 1999400 -83.9051 20.9017 19.5283 20.9017 111.661 44.2456 19.5283 44.2455 31.2346 GPRESSAVG: 1999400 -81.3461 25.2237 18.8263 19.4788 111.537 45.31 20.8976 42.9479 29.5027 TIMING: 1999400 CPU: 6320.17, 0.00314729/step Wall: 6320.17, 0.00314729/step, 2.62327 hours remaining, 235.085938 MB of memory in use. ENERGY: 1999400 3984.5337 20641.7492 14471.5745 250.1284 -203116.5252 2272.8566 0.0000 0.0000 52200.6631 -109295.0197 299.9979 -161495.6828 -108933.3598 299.2323 0.2849 32.6680 761106.2598 19.6635 19.8978 PRESSURE: 1999600 310.074 194.888 210.147 194.889 140.727 67.8219 210.147 67.8223 170.553 GPRESSURE: 1999600 308.702 160.565 188.631 122.091 166.178 93.0919 172.527 129.511 233.743 PRESSAVG: 1999600 -34.2987 17.2064 -11.9635 17.2064 35.2892 63.5092 -11.9636 63.5092 7.92739 GPRESSAVG: 1999600 -34.5012 15.8068 -12.7029 16.7943 35.2736 61.3758 -11.435 65.7508 8.378 TIMING: 1999600 CPU: 6320.81, 0.00316967/step Wall: 6320.81, 0.00316967/step, 2.64174 hours remaining, 235.085938 MB of memory in use. ENERGY: 1999600 3950.6727 20657.4599 14544.9040 255.7027 -203445.8783 2836.6143 0.0000 0.0000 51872.1874 -109328.3372 298.1102 -161200.5246 -108968.8838 299.4668 207.1183 236.2075 762135.7421 2.9726 3.0501 PRESSURE: 1999800 263.934 11.8084 -131.671 11.8077 84.0618 -87.4995 -131.67 -87.4993 106.79 GPRESSURE: 1999800 335.439 38.588 -184.005 105.216 78.2649 -32.148 -39.0949 -146.349 128.786 PRESSAVG: 1999800 -8.07942 24.5832 22.7504 24.5832 53.3655 6.72865 22.7504 6.72873 4.33989 GPRESSAVG: 1999800 -8.38824 24.2629 21.6364 25.745 52.0415 9.31121 21.5437 6.27605 6.01469 TIMING: 1999800 CPU: 6321.44, 0.00315668/step Wall: 6321.44, 0.00315668/step, 2.63074 hours remaining, 235.085938 MB of memory in use. ENERGY: 1999800 4013.6216 20703.5266 14529.5030 233.4737 -203770.3146 2916.9405 0.0000 0.0000 51957.7691 -109415.4802 298.6020 -161373.2493 -109065.3848 299.1986 151.5953 180.8302 760897.3252 16.5420 16.5560 PRESSURE: 2000000 -210.427 177.984 116.909 177.984 -20.5544 74.9461 116.909 74.9462 236.188 GPRESSURE: 2000000 -192.434 30.242 170.739 121.832 74.2923 -15.8225 189.383 211.34 217.739 PRESSAVG: 2000000 -36.2656 38.126 43.8417 38.1261 27.5704 5.54745 43.8417 5.54751 -9.68877 GPRESSAVG: 2000000 -35.8225 37.4974 46.3109 39.2413 28.613 5.1608 45.0211 2.20854 -11.0752 TIMING: 2000000 CPU: 6322.07, 0.00317132/step Wall: 6322.07, 0.00317132/step, 2.64277 hours remaining, 235.085938 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: 2000000 4064.0665 20561.7015 14501.2866 257.0402 -203332.0334 2511.3813 0.0000 0.0000 52095.9685 -109340.5889 299.3962 -161436.5574 -108980.2928 299.2305 1.7355 33.1990 759262.3481 -6.1280 -6.0949 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000200 -97.3973 -76.177 117.265 -76.1774 379.642 99.1247 117.266 99.126 -177.428 GPRESSURE: 2000200 23.8494 -91.8845 60.6417 -81.0679 303.678 47.1905 19.4094 107.776 -143.223 PRESSAVG: 2000200 -39.9656 17.7748 -1.76641 17.7748 51.6941 -28.3472 -1.76652 -28.3471 -2.56499 GPRESSAVG: 2000200 -40.6942 19.5612 -2.90399 16.535 51.7139 -30.3583 -4.4828 -25.0265 -1.96836 TIMING: 2000200 CPU: 6322.73, 0.00325966/step Wall: 6322.73, 0.00325965/step, 2.7162 hours remaining, 235.085938 MB of memory in use. ENERGY: 2000200 4025.8882 20487.9872 14561.1308 258.3202 -203182.7128 2541.0181 0.0000 0.0000 52010.5823 -109297.7862 298.9055 -161308.3685 -108942.9279 299.1496 34.9387 61.4348 759270.2210 3.0545 3.0171 LDB: ============= START OF LOAD BALANCING ============== 6335.26 LDB: ============== END OF LOAD BALANCING =============== 6335.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.26 LDB: ============= START OF LOAD BALANCING ============== 6335.57 LDB: Largest compute 7026 load 0.028688 is 14.7% of average load 0.195523 LDB: Average compute 0.004406 is 2.3% of average load 0.195523 LDB: TIME 6335.58 LOAD: AVG 0.195523 MAX 0.219715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 6335.58 LOAD: AVG 0.195523 MAX 0.219715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 6335.58 LOAD: AVG 0.195523 MAX 0.21716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 6335.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6335.59 PRESSURE: 2000400 140.591 87.6629 143.154 87.6634 -115.654 53.6932 143.154 53.6925 -280.265 GPRESSURE: 2000400 157.884 21.4309 228.2 -75.325 -62.3923 48.9301 -63.307 -7.12595 -268.943 PRESSAVG: 2000400 27.5472 -37.3518 -14.599 -37.3518 -8.21217 27.1672 -14.599 27.1672 4.0206 GPRESSAVG: 2000400 27.6683 -36.065 -12.5292 -39.4114 -8.62216 28.8183 -15.3573 25.7722 3.85285 TIMING: 2000400 CPU: 6323.37, 0.00321564/step Wall: 6323.37, 0.00321564/step, 2.67934 hours remaining, 234.167969 MB of memory in use. ENERGY: 2000400 4073.7890 20401.7770 14430.1181 249.9526 -203507.3571 2757.7276 0.0000 0.0000 52308.1824 -109285.8103 300.6158 -161593.9927 -108917.8130 299.6802 -85.1093 -57.8169 759912.5243 7.7852 7.6330 PRESSURE: 2000600 -85.0913 -117.487 -255.833 -117.487 147.366 175.586 -255.832 175.586 179.266 GPRESSURE: 2000600 33.876 -48.9429 -267.72 -125.369 156.435 143.465 -254.677 140.795 135.706 PRESSAVG: 2000600 -49.2549 -8.31962 -15.8967 -8.31964 38.9586 13.7207 -15.8967 13.7207 -14.5143 GPRESSAVG: 2000600 -49.8246 -10.7372 -19.0659 -5.80598 39.6326 13.5428 -12.4008 13.6773 -15.0129 TIMING: 2000600 CPU: 6324, 0.00315409/step Wall: 6324, 0.00315409/step, 2.62788 hours remaining, 234.371094 MB of memory in use. ENERGY: 2000600 4028.8071 20395.8496 14498.2865 261.1384 -203581.7391 2836.5717 0.0000 0.0000 52035.5837 -109525.5021 299.0492 -161561.0858 -109157.8923 298.9798 80.5137 108.6723 760785.9676 -8.2702 -8.4016 PRESSURE: 2000800 -6.82752 -30.519 -0.784212 -30.5182 305.039 -61.9356 -0.784498 -61.9366 7.15176 GPRESSURE: 2000800 125.115 -28.1608 3.43436 107.885 289.852 -165.918 62.6487 142.594 -20.0241 PRESSAVG: 2000800 20.4646 0.43737 -59.7987 0.437366 -9.35478 36.4612 -59.7987 36.4612 -15.5194 GPRESSAVG: 2000800 21.0779 0.88067 -58.7317 -0.702731 -10.2435 35.2076 -61.2528 35.1578 -15.039 TIMING: 2000800 CPU: 6324.63, 0.00315082/step Wall: 6324.63, 0.00315082/step, 2.62498 hours remaining, 234.371094 MB of memory in use. ENERGY: 2000800 4010.2073 20502.1513 14480.3107 267.6545 -203333.7561 2992.5646 0.0000 0.0000 51810.0851 -109270.7826 297.7533 -161080.8677 -108919.9497 299.3021 101.7877 131.6476 761822.8416 -1.4699 -1.4015 PRESSURE: 2001000 72.4745 -58.1624 109.759 -58.1622 -151.706 85.4022 109.758 85.4017 -480.891 GPRESSURE: 2001000 46.7911 -221.741 60.8454 60.2709 -112.002 30.468 82.6594 124.206 -399.139 PRESSAVG: 2001000 -9.61254 16.8251 17.6667 16.825 19.0767 -30.7242 17.6667 -30.7242 21.9295 GPRESSAVG: 2001000 -8.31652 16.4262 19.4212 16.1476 18.4633 -29.5725 17.473 -29.5033 21.3665 TIMING: 2001000 CPU: 6325.26, 0.00314784/step Wall: 6325.26, 0.00314784/step, 2.62233 hours remaining, 234.371094 MB of memory in use. ENERGY: 2001000 3929.9807 20609.3866 14523.3062 270.3348 -203065.3193 2542.2546 0.0000 0.0000 51907.1786 -109282.8779 298.3113 -161190.0565 -108923.9904 299.6958 -186.7075 -154.7833 762740.2863 10.4646 10.5044 PRESSURE: 2001200 -281.357 206.776 5.44517 206.776 -222.212 208.299 5.44472 208.298 -299.584 GPRESSURE: 2001200 -346.563 187.895 51.3619 93.3587 -24.0164 166.519 -109.596 229.841 -353.031 PRESSAVG: 2001200 15.0017 36.1034 45.4389 36.1033 -13.8208 81.4573 45.4389 81.4574 -19.7517 GPRESSAVG: 2001200 13.7073 37.9212 43.0798 35.5687 -12.3676 81.213 45.7006 81.1511 -19.956 TIMING: 2001200 CPU: 6325.89, 0.00315433/step Wall: 6325.89, 0.00315433/step, 2.62756 hours remaining, 234.371094 MB of memory in use. ENERGY: 2001200 3961.9653 20551.9854 14517.4774 266.8802 -203368.4962 2549.3061 0.0000 0.0000 52187.8003 -109333.0816 299.9240 -161520.8818 -108964.2201 299.0883 -267.7175 -241.2034 763301.0959 -6.1903 -6.2054 PRESSURE: 2001400 -10.0473 -199.916 26.1712 -199.915 -23.6258 -150.285 26.171 -150.286 -47.6761 GPRESSURE: 2001400 48.2924 -185.937 92.2706 -141.685 -44.6354 -133.078 58.7382 -33.6691 -3.98032 PRESSAVG: 2001400 15.0845 6.69767 -11.6423 6.69767 35.0563 33.1592 -11.6423 33.1592 -16.1025 GPRESSAVG: 2001400 16.0022 4.52494 -9.91957 8.77894 33.8688 33.3446 -10.9177 32.7793 -15.542 TIMING: 2001400 CPU: 6326.52, 0.00315101/step Wall: 6326.52, 0.00315101/step, 2.62462 hours remaining, 234.371094 MB of memory in use. ENERGY: 2001400 3981.8282 20548.8783 14505.5719 243.9217 -203665.1299 2728.5759 0.0000 0.0000 52342.2096 -109314.1443 300.8114 -161656.3539 -108943.9809 299.3111 -27.1164 -0.1077 762022.8796 11.3461 11.4430 PRESSURE: 2001600 -35.287 -78.2984 -148.384 -78.2987 -438.25 -24.4088 -148.383 -24.409 -137.622 GPRESSURE: 2001600 -7.72552 -47.6788 -186.222 -229.688 -383.306 74.4652 -50.5287 -11.0445 -131.318 PRESSAVG: 2001600 25.2175 -3.0892 -48.6928 -3.08918 -16.7575 28.7795 -48.6929 28.7795 -0.0792904 GPRESSAVG: 2001600 24.3824 -2.74534 -51.4432 -4.60346 -14.9797 28.3399 -48.191 31.0877 -0.737458 TIMING: 2001600 CPU: 6327.15, 0.00314798/step Wall: 6327.15, 0.00314798/step, 2.62192 hours remaining, 234.371094 MB of memory in use. ENERGY: 2001600 3984.1568 20350.3709 14552.8277 239.9341 -203063.5119 2488.0567 0.0000 0.0000 52142.9696 -109305.1960 299.6664 -161448.1656 -108944.1093 299.1768 -203.7196 -174.1166 762298.7883 2.7936 2.8884 PRESSURE: 2001800 -150.533 1.74947 -8.85903 1.74922 -297.218 -171.018 -8.8587 -171.02 -34.6965 GPRESSURE: 2001800 -163.969 -21.9881 -41.2891 39.3492 -242.514 -233.284 -1.42173 -232.881 20.4758 PRESSAVG: 2001800 -45.8872 42.9188 -6.9054 42.9188 15.041 32.9475 -6.90542 32.9476 -6.11681 GPRESSAVG: 2001800 -44.9388 43.7337 -5.19444 45.0834 11.8671 31.67 -6.5314 31.5868 -3.97178 TIMING: 2001800 CPU: 6327.78, 0.0031433/step Wall: 6327.78, 0.0031433/step, 2.61784 hours remaining, 234.371094 MB of memory in use. ENERGY: 2001800 4005.2158 20259.4036 14518.5936 253.7325 -202884.7562 2453.8154 0.0000 0.0000 52087.6623 -109306.3331 299.3485 -161393.9954 -108937.0752 299.0611 -160.8158 -128.6691 761450.5134 -12.3210 -12.3478 PRESSURE: 2002000 160.207 -99.4946 -96.7518 -99.4952 -297.031 290.45 -96.7526 290.451 226.332 GPRESSURE: 2002000 192.369 -137.245 -166.554 -137.919 -252.201 186.664 -32.2342 165.973 233.995 PRESSAVG: 2002000 25.7559 2.23112 -44.907 2.23115 -17.4257 -9.47901 -44.907 -9.47897 7.65727 GPRESSAVG: 2002000 25.9574 2.68766 -45.2278 -0.254012 -15.8684 -8.79296 -45.263 -11.1387 6.28272 TIMING: 2002000 CPU: 6328.41, 0.00314954/step Wall: 6328.41, 0.00314954/step, 2.62287 hours remaining, 234.371094 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: 2002000 3909.3820 20568.4721 14557.7874 261.0395 -203151.5773 2668.0519 0.0000 0.0000 51860.2116 -109326.6328 298.0413 -161186.8444 -108960.8943 298.9367 29.8363 58.0547 761889.0137 5.3292 5.4572 PRESSURE: 2002200 -141.23 -17.5454 -150.601 -17.545 -105.713 98.8701 -150.602 98.8704 181.983 GPRESSURE: 2002200 -60.9243 21.0038 -195.965 -25.7267 -113.609 34.3199 -45.1986 157.117 184.978 PRESSAVG: 2002200 -1.73232 -55.1043 19.1516 -55.1043 -18.989 -22.6684 19.1516 -22.6684 -8.40524 GPRESSAVG: 2002200 -3.05221 -57.4846 17.894 -52.9879 -17.5522 -21.055 19.4054 -21.8378 -8.84197 TIMING: 2002200 CPU: 6329.04, 0.00315885/step Wall: 6329.04, 0.00315885/step, 2.63045 hours remaining, 234.371094 MB of memory in use. ENERGY: 2002200 4061.1961 20468.3903 14577.4732 246.8937 -203550.9497 2672.1708 0.0000 0.0000 52236.3163 -109288.5094 300.2028 -161524.8257 -108923.7763 299.4603 -21.6533 3.4816 760636.1218 -9.7089 -9.8154 PRESSURE: 2002400 -304.499 66.0079 -41.8918 66.0083 -263.31 327.028 -41.8923 327.028 95.5058 GPRESSURE: 2002400 -177.482 106.27 -83.96 -47.9226 -301.598 234.655 -48.1732 239.868 94.4297 PRESSAVG: 2002400 -1.86303 11.6456 -27.1626 11.6456 -35.5611 -8.46586 -27.1627 -8.46595 -3.06061 GPRESSAVG: 2002400 -1.36204 12.3125 -26.691 9.63411 -36.4832 -10.361 -29.0066 -7.26222 -2.90108 TIMING: 2002400 CPU: 6329.67, 0.00315183/step Wall: 6329.67, 0.00315183/step, 2.62442 hours remaining, 234.371094 MB of memory in use. ENERGY: 2002400 4024.1818 20513.8194 14562.9437 248.1404 -203436.2755 2608.1564 0.0000 0.0000 52244.6047 -109234.4290 300.2505 -161479.0337 -108873.3314 299.4119 -157.4345 -128.2167 762568.3435 -13.4949 -13.5821 PRESSURE: 2002600 -199.239 167.797 28.2613 167.797 501.81 -43.6825 28.2613 -43.6833 70.1047 GPRESSURE: 2002600 -85.3188 93.0838 9.1736 113.032 454.746 -26.2296 -100.617 -124.493 102.57 PRESSAVG: 2002600 -51.2476 6.60854 -43.6099 6.60859 3.92016 -26.6747 -43.6099 -26.6746 10.9816 GPRESSAVG: 2002600 -50.833 4.73696 -41.5972 9.4174 2.95197 -24.8814 -43.4655 -29.982 12.0449 TIMING: 2002600 CPU: 6330.3, 0.00315503/step Wall: 6330.3, 0.00315503/step, 2.62691 hours remaining, 234.371094 MB of memory in use. ENERGY: 2002600 3955.0782 20565.0668 14480.8329 243.1050 -203220.3269 2618.5918 0.0000 0.0000 52027.0986 -109330.5535 299.0005 -161357.6522 -108964.5327 299.1062 124.2251 157.3322 761686.6134 -12.1153 -11.9454 PRESSURE: 2002800 9.87082 88.9235 17.5126 88.9234 58.4846 -183.271 17.5119 -183.271 -158.579 GPRESSURE: 2002800 76.4771 61.4123 -29.5963 133.067 3.31153 -160.359 -27.2951 -306.885 -96.5563 PRESSAVG: 2002800 -8.82653 -1.1754 13.7326 -1.17538 65.4465 -38.7214 13.7327 -38.7215 24.2224 GPRESSAVG: 2002800 -7.98849 0.292909 12.5607 -4.07008 64.4984 -39.0615 14.0683 -35.9747 23.9008 TIMING: 2002800 CPU: 6330.93, 0.0031432/step Wall: 6330.93, 0.0031432/step, 2.61689 hours remaining, 234.371094 MB of memory in use. ENERGY: 2002800 3944.7546 20328.6079 14500.4676 265.5381 -203207.2742 2631.5508 0.0000 0.0000 52161.9544 -109374.4009 299.7755 -161536.3552 -109010.4521 299.2150 -30.0745 -5.5892 762769.5809 26.9475 26.8036 PRESSURE: 2003000 206.288 40.6223 84.8902 40.6221 39.4462 101.238 84.8907 101.239 -64.1014 GPRESSURE: 2003000 193.4 32.7953 110.205 111.574 95.6735 46.3268 126.587 195.854 -28.9811 PRESSAVG: 2003000 32.2388 0.415756 -12.4363 0.415842 5.31607 -52.3267 -12.4363 -52.3266 -0.416889 GPRESSAVG: 2003000 30.6943 0.0773707 -12.4247 2.96846 7.92865 -51.3772 -11.7308 -51.4877 -1.02695 TIMING: 2003000 CPU: 6331.56, 0.00314019/step Wall: 6331.56, 0.00314019/step, 2.61421 hours remaining, 234.371094 MB of memory in use. ENERGY: 2003000 3916.7234 20610.1444 14446.0894 240.7493 -203165.2452 2602.5586 0.0000 0.0000 52045.8862 -109303.0940 299.1084 -161348.9802 -108931.6513 299.1428 60.5443 86.6976 762995.0731 12.3793 12.5320 PRESSURE: 2003200 -184.53 -29.9916 48.9527 -29.9921 -387.817 -67.9893 48.9523 -67.9895 87.6004 GPRESSURE: 2003200 -204.434 -16.2253 115.247 -51.197 -203.827 -62.8957 24.8734 -39.3697 -0.253367 PRESSAVG: 2003200 36.0288 -58.3045 26.5439 -58.3045 -17.3456 2.62204 26.5439 2.62203 -10.118 GPRESSAVG: 2003200 36.9382 -55.2279 27.2099 -60.8177 -17.6753 1.96012 26.835 1.94695 -10.4292 TIMING: 2003200 CPU: 6332.19, 0.00315512/step Wall: 6332.19, 0.00315512/step, 2.62646 hours remaining, 234.371094 MB of memory in use. ENERGY: 2003200 3978.5321 20469.4025 14528.9161 256.8253 -202970.8530 2423.6860 0.0000 0.0000 51957.6770 -109355.8141 298.6015 -161313.4911 -108992.6855 299.0316 -161.5821 -136.1714 763985.8694 2.8551 2.9446 PRESSURE: 2003400 260.842 12.265 6.18404 12.2647 143.392 37.3417 6.18441 37.3423 7.21416 GPRESSURE: 2003400 283.486 -87.6212 54.8077 -94.0761 252.082 55.1146 -110.656 94.6315 -35.8229 PRESSAVG: 2003400 6.17508 -28.0052 -33.5674 -28.0052 28.4805 -9.23293 -33.5673 -9.23293 1.65324 GPRESSAVG: 2003400 5.4605 -30.3571 -33.322 -26.4156 28.5231 -10.4407 -34.9987 -8.63234 2.56057 TIMING: 2003400 CPU: 6332.82, 0.00314694/step Wall: 6332.82, 0.00314694/step, 2.61948 hours remaining, 234.371094 MB of memory in use. ENERGY: 2003400 3985.9045 20509.4058 14503.8943 260.2401 -203519.5289 2836.6334 0.0000 0.0000 52085.2268 -109338.2240 299.3345 -161423.4508 -108987.3323 299.4095 137.1493 166.5817 761379.7839 12.1029 12.1814 PRESSURE: 2003600 -245.364 -114.362 41.8852 -114.362 -10.8623 30.1928 41.8856 30.1934 -464.185 GPRESSURE: 2003600 -90.1828 -157.905 -39.6572 -120.83 -96.0886 21.1337 7.56283 12.6867 -454.746 PRESSAVG: 2003600 -36.7907 8.04549 -64.6938 8.04545 34.6921 6.97806 -64.6937 6.97811 -4.99553 GPRESSAVG: 2003600 -36.489 7.28254 -63.9606 6.7408 33.6826 6.95469 -62.2885 6.26261 -3.95918 TIMING: 2003600 CPU: 6333.45, 0.00316432/step Wall: 6333.45, 0.00316432/step, 2.63377 hours remaining, 234.371094 MB of memory in use. ENERGY: 2003600 4093.2551 20385.9764 14550.9204 247.2306 -202772.6075 2255.8699 0.0000 0.0000 51945.4179 -109293.9371 298.5310 -161239.3550 -108937.7213 299.0339 -240.1371 -213.6726 762844.7791 -2.3647 -2.2552 PRESSURE: 2003800 -396.126 -97.2918 -39.619 -97.2915 153.882 143.64 -39.6187 143.641 -90.3758 GPRESSURE: 2003800 -317.759 -12.3722 -36.6324 -50.0467 134.492 143.239 -128.388 218.023 -54.196 PRESSAVG: 2003800 19.4261 -43.2342 -31.3285 -43.2342 -13.1756 13.3663 -31.3285 13.3663 -1.21038 GPRESSAVG: 2003800 19.3084 -40.9137 -31.8473 -44.5875 -12.1377 13.0242 -32.8216 12.4261 -2.24678 TIMING: 2003800 CPU: 6334.08, 0.0031522/step Wall: 6334.08, 0.0031522/step, 2.62351 hours remaining, 234.371094 MB of memory in use. ENERGY: 2003800 3997.5841 20539.1802 14505.3700 239.6993 -203036.6209 2487.3099 0.0000 0.0000 51899.2769 -109368.2005 298.2659 -161267.4774 -109015.9992 299.0694 -110.8733 -79.1543 762527.1028 1.6800 1.6413 PRESSURE: 2004000 52.931 -422.337 -116.507 -422.337 265.093 39.5327 -116.506 39.5323 186.339 GPRESSURE: 2004000 109.867 -334.868 -106.294 -380.127 271.262 155.438 -124.299 82.3817 198.336 PRESSAVG: 2004000 30.9514 -27.7011 -10.9179 -27.701 6.06851 9.54572 -10.9179 9.5457 -3.266 GPRESSAVG: 2004000 32.2357 -27.0397 -10.0871 -26.4782 5.45414 10.0306 -12.0429 9.9495 -4.09266 TIMING: 2004000 CPU: 6334.72, 0.0031635/step Wall: 6334.72, 0.0031635/step, 2.63273 hours remaining, 234.371094 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: 2004000 3920.0976 20661.5145 14494.8387 236.7013 -203258.4215 2582.8633 0.0000 0.0000 51985.9964 -109376.4097 298.7642 -161362.4061 -109021.9596 298.7267 168.1209 193.1552 762334.8660 11.2513 11.1991 PRESSURE: 2004200 -397.327 69.7213 108.119 69.7216 121.339 -33.7925 108.117 -33.7922 50.2682 GPRESSURE: 2004200 -340.582 36.2858 123.499 88.0307 148.46 -81.4596 106.126 200.369 57.7607 PRESSAVG: 2004200 -62.1917 10.2197 -34.2248 10.2196 55.1653 -14.8524 -34.2248 -14.8524 27.4164 GPRESSAVG: 2004200 -62.3077 8.25287 -35.2153 11.0099 54.4588 -15.0191 -32.3401 -12.8779 28.3988 TIMING: 2004200 CPU: 6335.35, 0.00317571/step Wall: 6335.35, 0.00317571/step, 2.64272 hours remaining, 234.371094 MB of memory in use. ENERGY: 2004200 3895.7439 20557.3989 14468.2070 241.3290 -203322.8578 2792.2899 0.0000 0.0000 52069.5815 -109298.3076 299.2446 -161367.8892 -108934.7890 299.3623 -75.2399 -44.7871 762489.7946 6.7967 6.8500 LDB: ============= START OF LOAD BALANCING ============== 6347.88 LDB: ============== END OF LOAD BALANCING =============== 6347.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6347.89 LDB: ============= START OF LOAD BALANCING ============== 6348.2 LDB: Largest compute 7057 load 0.029885 is 15.3% of average load 0.195552 LDB: Average compute 0.004380 is 2.2% of average load 0.195552 LDB: TIME 6348.21 LOAD: AVG 0.195552 MAX 0.215453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 6348.21 LOAD: AVG 0.195552 MAX 0.215453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 6348.21 LOAD: AVG 0.195552 MAX 0.215453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 6348.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6348.21 PRESSURE: 2004400 -73.7763 -89.7578 -93.0552 -89.7577 -1.97895 -167.628 -93.0552 -167.628 35.7187 GPRESSURE: 2004400 -80.5612 -96.7298 -87.5859 -37.0597 51.8298 -180.416 -107.521 -38.5245 57.23 PRESSAVG: 2004400 -29.4059 -3.56111 -51.0039 -3.56117 6.01164 14.1471 -51.0039 14.1472 0.295433 GPRESSAVG: 2004400 -29.7188 -4.40008 -51.0629 -3.90987 6.78405 13.9283 -51.1198 12.504 -0.366918 TIMING: 2004400 CPU: 6336, 0.00323501/step Wall: 6336, 0.00323501/step, 2.69189 hours remaining, 235.140625 MB of memory in use. ENERGY: 2004400 3952.9340 20446.3984 14469.9093 232.5645 -203482.8771 2745.4524 0.0000 0.0000 52227.5953 -109408.0231 300.1527 -161635.6184 -109048.2086 298.7279 -13.3455 9.4995 762151.7047 -7.6996 -7.7672 PRESSURE: 2004600 238.828 69.8957 2.53479 69.8954 -12.9637 197.42 2.53531 197.42 -199.46 GPRESSURE: 2004600 292.052 52.1502 -103.392 81.806 -49.6692 214.915 -18.9728 146.352 -140.33 PRESSAVG: 2004600 11.1068 -16.1222 -34.4694 -16.1222 56.358 -56.7628 -34.4693 -56.7629 18.8223 GPRESSAVG: 2004600 11.0523 -14.9078 -35.1516 -15.5525 56.4673 -54.5481 -37.118 -56.7566 18.9529 TIMING: 2004600 CPU: 6336.63, 0.00318438/step Wall: 6336.63, 0.00318438/step, 2.64958 hours remaining, 235.140625 MB of memory in use. ENERGY: 2004600 3864.1269 20596.6974 14521.1483 252.6981 -203460.4006 2848.0639 0.0000 0.0000 51960.3881 -109417.2779 298.6171 -161377.6660 -109048.7032 298.6873 8.8013 34.0178 763074.2556 28.7624 28.8242 PRESSURE: 2004800 -136.873 -105.368 54.4078 -105.368 -180.618 12.1268 54.4069 12.1269 -276.481 GPRESSURE: 2004800 32.4888 -38.8088 85.1923 -109.451 -288.081 0.761705 79.8146 -111.711 -261.079 PRESSAVG: 2004800 -11.7731 -10.937 -33.8672 -10.9371 -13.8996 -34.0207 -33.8673 -34.0207 -19.8959 GPRESSAVG: 2004800 -11.6286 -10.7896 -34.414 -11.3252 -14.5718 -34.425 -29.2729 -36.7416 -19.7919 TIMING: 2004800 CPU: 6337.27, 0.00318555/step Wall: 6337.27, 0.00318555/step, 2.65038 hours remaining, 235.332031 MB of memory in use. ENERGY: 2004800 4030.5800 20431.4176 14480.8589 261.5639 -202916.2198 2454.7861 0.0000 0.0000 51990.7857 -109266.2276 298.7918 -161257.0133 -108892.9343 298.7373 -197.9908 -172.2239 763340.9491 -15.1895 -15.3308 PRESSURE: 2005000 -154.346 -100.781 -59.8681 -100.781 -130.912 16.0425 -59.8684 16.0433 -229.516 GPRESSURE: 2005000 -190.207 -235.798 -49.9003 -81.1051 11.9323 -59.3638 -79.0415 3.46975 -236.893 PRESSAVG: 2005000 -97.3736 7.87184 -9.89883 7.87185 79.9327 -70.3845 -9.89891 -70.3844 -6.36244 GPRESSAVG: 2005000 -97.6899 5.10762 -10.0376 7.72236 79.567 -70.3112 -11.1929 -70.0492 -5.66736 TIMING: 2005000 CPU: 6337.9, 0.0031563/step Wall: 6337.9, 0.0031563/step, 2.62586 hours remaining, 235.343750 MB of memory in use. ENERGY: 2005000 4008.3586 20512.7675 14521.1267 258.8731 -203039.1112 2358.2606 0.0000 0.0000 52145.1972 -109234.5275 299.6792 -161379.7247 -108865.9355 299.2460 -171.5916 -138.3891 762380.9671 -7.9345 -7.9301 PRESSURE: 2005200 221.912 11.737 0.851064 11.7355 280.347 -4.86937 0.851362 -4.86985 -90.9714 GPRESSURE: 2005200 197.096 -30.8287 -44.2735 52.7723 351.186 -34.5001 13.4027 -0.00576369 -58.3809 PRESSAVG: 2005200 -35.7284 -14.1222 -40.6128 -14.1222 2.22625 -39.9471 -40.6127 -39.9472 1.90026 GPRESSAVG: 2005200 -35.2658 -14.261 -41.2026 -15.931 3.11443 -40.0008 -42.4132 -39.2356 1.18759 TIMING: 2005200 CPU: 6338.53, 0.00315913/step Wall: 6338.53, 0.00315913/step, 2.62804 hours remaining, 235.343750 MB of memory in use. ENERGY: 2005200 3996.8801 20611.7011 14502.5635 227.9108 -203184.3025 2660.7236 0.0000 0.0000 51790.1798 -109394.3435 297.6389 -161184.5233 -109032.4734 298.9276 137.0958 163.3005 762222.6364 -10.5340 -10.3213 PRESSURE: 2005400 -212.777 -239.356 -47.1881 -239.357 -188.895 -244.061 -47.188 -244.061 -271.641 GPRESSURE: 2005400 -183.578 -180.011 35.9551 -122.261 -111.141 -272.068 -13.3258 -146.198 -274.463 PRESSAVG: 2005400 -2.19717 -62.3036 -62.2062 -62.3036 -2.21768 1.63192 -62.2062 1.63194 -16.7889 GPRESSAVG: 2005400 -1.44289 -59.7063 -61.8504 -60.5461 -3.20154 0.725202 -61.3373 2.31308 -16.3833 TIMING: 2005400 CPU: 6339.17, 0.00318963/step Wall: 6339.17, 0.00318963/step, 2.65324 hours remaining, 235.343750 MB of memory in use. ENERGY: 2005400 4092.9856 20530.8015 14403.0830 259.7003 -203206.0169 2656.6551 0.0000 0.0000 51978.6071 -109284.1843 298.7218 -161262.7914 -108919.3976 299.0407 -224.4375 -189.7274 761826.2715 -7.0679 -7.0092 PRESSURE: 2005600 398.306 -13.7525 98.1388 -13.7523 30.9671 -83.4648 98.1385 -83.4649 278.457 GPRESSURE: 2005600 421.493 67.0587 100.709 -60.186 53.8492 8.16545 116.221 -108.978 339.321 PRESSAVG: 2005600 16.0285 -41.9176 0.861254 -41.9175 9.55065 39.9888 0.861303 39.9887 -8.21276 GPRESSAVG: 2005600 14.2954 -41.5319 1.43796 -41.8916 11.5886 39.2023 0.421332 40.5574 -8.55487 TIMING: 2005600 CPU: 6339.81, 0.00316919/step Wall: 6339.81, 0.00316919/step, 2.63606 hours remaining, 235.343750 MB of memory in use. ENERGY: 2005600 4037.7955 20463.9987 14459.1746 264.7349 -203348.0346 2843.8051 0.0000 0.0000 52225.4219 -109053.1039 300.1402 -161278.5258 -108695.5307 299.5171 235.9102 271.5544 761076.1692 5.7888 5.7764 PRESSURE: 2005800 -133.749 120.064 -26.2845 120.065 434.134 -91.1484 -26.2843 -91.15 84.8475 GPRESSURE: 2005800 -100.247 101.133 -54.1172 131.648 437.785 -129.14 136.518 -113.699 116.223 PRESSAVG: 2005800 -7.67813 -11.0613 -11.4622 -11.0612 21.1787 -6.09595 -11.4621 -6.09594 -1.95126 GPRESSAVG: 2005800 -7.70268 -10.1526 -11.1361 -12.7188 19.7056 -5.0877 -10.7291 -6.58975 -1.17566 TIMING: 2005800 CPU: 6340.44, 0.00315476/step Wall: 6340.44, 0.00315476/step, 2.62388 hours remaining, 235.343750 MB of memory in use. ENERGY: 2005800 4026.8091 20622.6916 14461.3685 256.4283 -203567.3772 2952.4160 0.0000 0.0000 52319.0440 -108928.6196 300.6783 -161247.6637 -108565.0516 300.0517 128.4107 151.2535 761808.3642 3.8498 3.6091 PRESSURE: 2006000 395.956 155.029 -134.798 155.028 -97.1115 242.895 -134.798 242.896 138.878 GPRESSURE: 2006000 368.136 141.117 -168.635 90.6854 -48.1374 230.864 -137.308 401.94 215.265 PRESSAVG: 2006000 32.0405 10.4149 -29.9658 10.4149 14.0421 -26.1472 -29.9657 -26.1471 1.84651 GPRESSAVG: 2006000 33.6962 8.28876 -30.2938 12.3173 14.6128 -27.4818 -31.9834 -21.878 0.232119 TIMING: 2006000 CPU: 6341.07, 0.00316506/step Wall: 6341.07, 0.00316506/step, 2.63228 hours remaining, 235.343750 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: 2006000 4052.9374 20542.5721 14508.7202 256.6646 -203342.8999 2661.0387 0.0000 0.0000 52434.3071 -108886.6598 301.3407 -161320.9668 -108517.2250 300.2025 145.9075 178.4213 762384.8622 15.9764 16.1804 PRESSURE: 2006200 131.58 -12.9041 -150.459 -12.9035 -200.655 -36.3556 -150.46 -36.3559 -283.442 GPRESSURE: 2006200 61.9949 -32.5108 -137.45 -44.4151 -86.4829 59.3021 -79.1187 -189.026 -247.445 PRESSAVG: 2006200 34.095 -24.2708 -0.633359 -24.2708 11.3265 69.6132 -0.633436 69.6132 -15.8341 GPRESSAVG: 2006200 32.175 -23.6975 1.02519 -25.5992 11.711 71.2045 -0.545874 67.9776 -14.1301 TIMING: 2006200 CPU: 6341.7, 0.00315264/step Wall: 6341.7, 0.00315264/step, 2.62177 hours remaining, 235.343750 MB of memory in use. ENERGY: 2006200 4048.9645 20577.2525 14404.1099 255.0268 -203280.3810 2471.6948 0.0000 0.0000 52695.6161 -108827.7164 302.8424 -161523.3325 -108458.9813 300.7841 -117.5058 -90.6444 761263.3463 9.8625 9.9186 PRESSURE: 2006400 -163.647 293.2 136.944 293.2 -207.157 188.953 136.945 188.953 59.418 GPRESSURE: 2006400 -90.1373 261.749 89.8502 234.484 -166.195 136.732 157.293 197.139 27.3184 PRESSAVG: 2006400 10.9941 -67.1945 -25.7137 -67.1945 -27.0293 24.5368 -25.7137 24.5369 -7.1043 GPRESSAVG: 2006400 12.5008 -68.1041 -27.1097 -67.622 -26.6642 23.6151 -23.7569 20.6197 -9.21253 TIMING: 2006400 CPU: 6342.33, 0.00315493/step Wall: 6342.33, 0.00315493/step, 2.6235 hours remaining, 235.343750 MB of memory in use. ENERGY: 2006400 4123.2507 20501.1078 14440.9632 248.3321 -202791.8930 2438.1267 0.0000 0.0000 52206.7346 -108833.3780 300.0328 -161040.1125 -108463.7532 300.5183 -103.7956 -76.3381 762208.4260 -7.7132 -7.7920 PRESSURE: 2006600 35.3362 174.622 -24.7492 174.622 -7.19326 -89.091 -24.7493 -89.0897 -28.3277 GPRESSURE: 2006600 71.5145 129.436 0.174755 102.792 38.1478 -154.613 106.612 -92.4604 -35.3276 PRESSAVG: 2006600 50.1921 -65.2316 -4.5379 -65.2317 -13.0595 30.7844 -4.53788 30.7844 -20.1633 GPRESSAVG: 2006600 50.6691 -63.184 -3.91775 -66.5244 -13.9667 30.3656 -5.88233 34.3024 -19.5734 TIMING: 2006600 CPU: 6342.96, 0.00315001/step Wall: 6342.96, 0.00315001/step, 2.61923 hours remaining, 235.343750 MB of memory in use. ENERGY: 2006600 4039.7806 20637.2689 14479.0819 224.8357 -203659.0417 3103.6624 0.0000 0.0000 52345.2346 -108829.1776 300.8288 -161174.4122 -108467.9730 300.8094 -0.0616 24.7782 761988.2349 5.6564 5.7097 PRESSURE: 2006800 -245.71 194.616 -112.29 194.615 -132.161 29.9557 -112.29 29.9556 17.1392 GPRESSURE: 2006800 -162.197 107.746 -85.1748 192.756 -13.1565 53.2894 -149.224 44.5883 -75.4918 PRESSAVG: 2006800 -37.1724 -59.9579 -12.6438 -59.9578 -2.61068 -37.1061 -12.6438 -37.1062 -15.1597 GPRESSAVG: 2006800 -38.2188 -61.865 -13.3498 -58.5896 -2.22357 -36.7243 -14.0957 -37.7145 -14.2157 TIMING: 2006800 CPU: 6343.59, 0.00313235/step Wall: 6343.59, 0.00313235/step, 2.60438 hours remaining, 235.343750 MB of memory in use. ENERGY: 2006800 3964.3006 20680.8828 14438.5210 226.0067 -203289.8860 2814.1427 0.0000 0.0000 52146.1706 -109019.8617 299.6848 -161166.0323 -108644.8819 300.5319 -120.2441 -83.6152 763335.3937 -18.3143 -18.2193 PRESSURE: 2007000 -24.2055 -160.147 103.121 -160.147 -209.725 218.33 103.121 218.332 -362.167 GPRESSURE: 2007000 10.9329 -256.476 69.0241 -165.102 -253.612 293.154 63.3874 118.366 -260.373 PRESSAVG: 2007000 -11.5496 -27.7367 1.84177 -27.7367 -15.0204 28.2802 1.84169 28.2802 -7.47133 GPRESSAVG: 2007000 -11.8953 -27.5371 0.688125 -25.5956 -16.3716 27.6801 1.80327 28.7671 -6.19286 TIMING: 2007000 CPU: 6344.22, 0.00314867/step Wall: 6344.22, 0.00314867/step, 2.61777 hours remaining, 235.343750 MB of memory in use. ENERGY: 2007000 4008.2723 20423.4788 14457.6193 250.9754 -203379.7456 2612.2005 0.0000 0.0000 52729.7851 -108897.4142 303.0388 -161627.1994 -108520.4884 300.2935 -198.6990 -167.6840 762394.6719 -11.3471 -11.4866 PRESSURE: 2007200 323.33 122.262 -31.833 122.262 -15.5042 -78.0234 -31.8337 -78.0241 166.129 GPRESSURE: 2007200 256.05 102.703 30.379 67.3964 55.1523 18.5048 -83.6017 -220.82 235.649 PRESSAVG: 2007200 52.0932 -38.2136 -31.0606 -38.2136 -52.6111 -39.8499 -31.0606 -39.8499 -4.60417 GPRESSAVG: 2007200 51.1896 -39.5713 -30.3799 -39.3667 -50.4863 -38.6644 -29.3626 -42.5137 -6.10796 TIMING: 2007200 CPU: 6344.85, 0.00314083/step Wall: 6344.85, 0.00314083/step, 2.61108 hours remaining, 235.343750 MB of memory in use. ENERGY: 2007200 3980.1171 20666.2465 14371.6995 232.8069 -202993.7442 2735.4800 0.0000 0.0000 52234.2223 -108773.1719 300.1908 -161007.3943 -108405.6113 300.5512 157.9850 182.2838 761984.7066 -1.7074 -1.8015 PRESSURE: 2007400 -56.4363 -198.865 -54.4712 -198.864 385.286 -87.4386 -54.4718 -87.4386 -211.067 GPRESSURE: 2007400 2.84599 -182.713 -77.9148 -104.686 322.396 -43.1162 106.335 -88.0262 -111.738 PRESSAVG: 2007400 35.7945 1.09227 6.31619 1.09223 0.884599 -74.5751 6.31619 -74.575 -22.9327 GPRESSAVG: 2007400 36.083 0.430573 6.37882 2.5503 0.52208 -73.5781 6.13529 -73.9686 -22.2758 TIMING: 2007400 CPU: 6345.47, 0.00313606/step Wall: 6345.47, 0.00313606/step, 2.60694 hours remaining, 235.343750 MB of memory in use. ENERGY: 2007400 3988.5087 20537.1312 14413.9586 272.8018 -203124.3004 2776.8831 0.0000 0.0000 52345.4544 -108789.5626 300.8300 -161135.0170 -108423.3475 300.3459 39.2609 71.1683 762485.2558 4.5821 4.7764 PRESSURE: 2007600 -1.50855 18.6769 -162.89 18.6775 214.334 -190.449 -162.89 -190.449 -380.028 GPRESSURE: 2007600 53.6471 -26.6329 -50.6542 -63.3761 198.892 -212.521 -146.81 -226.489 -340.333 PRESSAVG: 2007600 -55.3725 -78.8311 26.1257 -78.8311 78.8792 -57.1132 26.1256 -57.1132 11.9375 GPRESSAVG: 2007600 -54.3508 -78.4649 26.7817 -78.5105 78.4136 -56.7956 24.8891 -57.1801 10.629 TIMING: 2007600 CPU: 6346.1, 0.00313771/step Wall: 6346.1, 0.00313771/step, 2.60814 hours remaining, 235.343750 MB of memory in use. ENERGY: 2007600 4024.9922 20704.5413 14482.1555 247.6180 -203077.8702 2485.9306 0.0000 0.0000 52399.9641 -108732.6686 301.1433 -161132.6327 -108368.4731 299.9382 -55.7341 -29.2644 762544.7289 11.8147 11.5639 PRESSURE: 2007800 69.8921 -85.7913 176.689 -85.7915 -99.2595 203.443 176.689 203.444 -146.179 GPRESSURE: 2007800 14.5079 -7.18385 196.854 -100.149 -67.2536 222.171 218.373 38.5153 -42.1636 PRESSAVG: 2007800 -3.85429 -36.5899 -9.49634 -36.5899 5.01378 32.8653 -9.49635 32.8653 6.66021 GPRESSAVG: 2007800 -4.93699 -34.7089 -9.81937 -39.0074 5.92817 34.2174 -9.32473 32.1037 6.81389 TIMING: 2007800 CPU: 6346.73, 0.00314488/step Wall: 6346.73, 0.00314488/step, 2.61392 hours remaining, 235.343750 MB of memory in use. ENERGY: 2007800 4011.5351 20547.1461 14472.6779 256.3324 -202926.8528 2456.4860 0.0000 0.0000 52218.1790 -108964.4963 300.0986 -161182.6754 -108609.7707 300.3898 -58.5156 -31.6365 762351.2587 2.6066 2.6017 PRESSURE: 2008000 161.675 -248.379 109.788 -248.378 7.23648 -24.5171 109.788 -24.5169 284.204 GPRESSURE: 2008000 219.926 -183.435 49.6668 -237.795 19.6278 -74.7463 40.2011 114.376 290.153 PRESSAVG: 2008000 4.82342 13.1415 8.59912 13.1415 -2.72692 -8.76133 8.59913 -8.76146 17.3435 GPRESSAVG: 2008000 5.43381 12.1995 8.81988 13.3305 -2.69452 -11.2218 7.58703 -5.40508 17.1253 TIMING: 2008000 CPU: 6347.36, 0.00315265/step Wall: 6347.36, 0.00315265/step, 2.6202 hours remaining, 235.343750 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: 2008000 3959.7571 20272.9291 14451.9816 257.6685 -203084.8526 2727.5933 0.0000 0.0000 52219.6082 -109195.3147 300.1068 -161414.9230 -108830.6564 299.7675 151.0383 176.5691 760695.8622 6.4800 6.6215 PRESSURE: 2008200 -386.949 -90.4826 1.54007 -90.4829 -89.2179 266.095 1.54035 266.096 -202.569 GPRESSURE: 2008200 -268.092 -209.749 -17.5855 -73.677 -67.0888 282.557 83.5481 283.093 -249.689 PRESSAVG: 2008200 31.6575 -18.0839 -19.6673 -18.0839 -35.7767 15.2374 -19.6672 15.2374 16.7415 GPRESSAVG: 2008200 33.0016 -17.0532 -20.873 -17.7167 -36.846 15.9217 -18.1638 14.9604 16.8058 TIMING: 2008200 CPU: 6347.99, 0.00316111/step Wall: 6347.99, 0.00316111/step, 2.62706 hours remaining, 235.343750 MB of memory in use. ENERGY: 2008200 3983.3725 20526.9085 14483.4657 234.5750 -202988.5413 2478.9452 0.0000 0.0000 52170.0412 -109111.2332 299.8219 -161281.2744 -108744.2736 299.5502 -226.2452 -194.9564 760757.3330 4.2074 4.3205 LDB: ============= START OF LOAD BALANCING ============== 6360.52 LDB: ============== END OF LOAD BALANCING =============== 6360.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6360.53 LDB: ============= START OF LOAD BALANCING ============== 6360.84 LDB: Largest compute 7026 load 0.030380 is 15.5% of average load 0.195484 LDB: Average compute 0.004388 is 2.2% of average load 0.195484 LDB: TIME 6360.84 LOAD: AVG 0.195484 MAX 0.214326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 6360.84 LOAD: AVG 0.195484 MAX 0.214326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 6360.85 LOAD: AVG 0.195484 MAX 0.214326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 6360.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6360.85 PRESSURE: 2008400 -191.976 -72.059 189.493 -72.0586 331.225 -145.634 189.493 -145.635 451.425 GPRESSURE: 2008400 -119.729 -52.7383 228.411 -108.604 335.274 -137.594 132.303 -177.121 436.1 PRESSAVG: 2008400 2.40231 -24.6495 -24.149 -24.6495 -52.0554 10.7347 -24.149 10.7346 1.54696 GPRESSAVG: 2008400 1.2499 -24.4023 -21.7459 -25.4693 -51.6172 10.9164 -26.1065 8.16762 2.11007 TIMING: 2008400 CPU: 6348.64, 0.00321158/step Wall: 6348.64, 0.00321158/step, 2.66882 hours remaining, 235.652344 MB of memory in use. ENERGY: 2008400 4000.4508 20493.7865 14424.5307 248.8321 -203084.0505 2827.7804 0.0000 0.0000 52145.0371 -108943.6329 299.6782 -161088.6700 -108589.0886 299.9966 196.8913 217.2153 761606.0990 -16.0354 -16.0858 PRESSURE: 2008600 -200.036 79.1582 -91.9029 79.158 165.373 -192.456 -91.9023 -192.456 -169.318 GPRESSURE: 2008600 -83.9275 -21.7452 -110.937 -67.2775 143.057 -123.508 -256.122 -137.537 -182.121 PRESSAVG: 2008600 -15.2215 -30.8956 -10.7085 -30.8956 -6.32031 24.2581 -10.7086 24.2581 18.3982 GPRESSAVG: 2008600 -15.4538 -31.5293 -13.0015 -29.4204 -5.74382 23.436 -10.0923 26.9315 18.1924 TIMING: 2008600 CPU: 6349.26, 0.00314282/step Wall: 6349.26, 0.00314282/step, 2.6115 hours remaining, 235.652344 MB of memory in use. ENERGY: 2008600 3926.3196 20683.2098 14513.6178 242.8657 -202973.4817 2498.7442 0.0000 0.0000 52215.7205 -108893.0042 300.0845 -161108.7246 -108542.4654 299.9579 -67.9935 -40.9974 762224.9623 -1.0479 -1.0018 PRESSURE: 2008800 96.6016 121.009 211.064 121.009 -24.8305 105.412 211.064 105.411 -297.791 GPRESSURE: 2008800 146.446 45.3767 136.773 138.511 0.220374 -16.1026 300.785 -27.0489 -286.256 PRESSAVG: 2008800 26.4066 22.4264 -14.4596 22.4264 14.2017 24.2572 -14.4596 24.2572 -1.72413 GPRESSAVG: 2008800 26.3883 20.7137 -14.0335 22.4813 13.7669 24.3214 -12.9954 22.5848 -0.862624 TIMING: 2008800 CPU: 6349.9, 0.00315706/step Wall: 6349.9, 0.00315706/step, 2.62317 hours remaining, 235.652344 MB of memory in use. ENERGY: 2008800 3989.7002 20596.0787 14562.9114 238.2241 -203043.2367 2538.5332 0.0000 0.0000 52049.6719 -109068.1173 299.1302 -161117.7892 -108710.4973 299.7009 -75.3398 -46.5300 759834.3555 12.9614 13.0975 PRESSURE: 2009000 -55.1532 120.446 189.781 120.448 72.9958 -15.0729 189.781 -15.0732 -195.601 GPRESSURE: 2009000 -48.8235 99.8434 109.95 57.8574 44.3512 -57.0118 115.765 -10.171 -102.443 PRESSAVG: 2009000 49.5689 -8.66802 -46.7388 -8.66801 -57.19 -18.7775 -46.7388 -18.7774 -20.4702 GPRESSAVG: 2009000 50.145 -6.31542 -48.0781 -8.56169 -56.923 -17.6396 -48.9682 -19.8393 -21.4864 TIMING: 2009000 CPU: 6350.53, 0.00315844/step Wall: 6350.53, 0.00315844/step, 2.62414 hours remaining, 235.652344 MB of memory in use. ENERGY: 2009000 3960.0992 20553.3400 14501.7868 261.2824 -202714.9678 2335.8799 0.0000 0.0000 52378.6570 -108723.9225 301.0209 -161102.5795 -108372.3253 300.2208 -59.2527 -35.6383 761500.6201 -9.3638 -9.4214 PRESSURE: 2009200 255.927 -18.3917 60.6324 -18.3913 -122.572 141.618 60.6321 141.619 -131.722 GPRESSURE: 2009200 255.473 -98.6479 66.3835 -22.6955 -102.86 38.8706 115.334 93.4468 -81.2022 PRESSAVG: 2009200 -22.6711 -36.802 -10.0722 -36.802 35.5329 30.9291 -10.0722 30.9291 -13.3427 GPRESSAVG: 2009200 -24.9692 -37.029 -10.3072 -37.794 35.9765 28.2941 -6.05573 32.218 -11.5672 TIMING: 2009200 CPU: 6351.16, 0.00315511/step Wall: 6351.16, 0.00315511/step, 2.62119 hours remaining, 235.652344 MB of memory in use. ENERGY: 2009200 3937.8422 20675.8006 14448.9661 241.8504 -203157.9042 2515.2708 0.0000 0.0000 52385.2202 -108952.9539 301.0586 -161338.1741 -108588.1040 300.4642 0.5446 23.8035 761638.5051 -0.1603 -0.1867 PRESSURE: 2009400 -16.2472 -189.801 -282.061 -189.801 216.817 44.6139 -282.062 44.6144 1.74381 GPRESSURE: 2009400 27.0389 -107.164 -353.299 -144.08 227.315 36.6816 -234.556 -182.377 39.2658 PRESSAVG: 2009400 9.4691 11.8639 0.415071 11.8639 21.0813 50.3435 0.415091 50.3435 -14.3365 GPRESSAVG: 2009400 9.92956 10.4219 2.25625 15.1371 21.3375 51.3607 -1.5597 47.6155 -15.9488 TIMING: 2009400 CPU: 6351.79, 0.00316278/step Wall: 6351.79, 0.00316278/step, 2.62739 hours remaining, 235.652344 MB of memory in use. ENERGY: 2009400 3950.9003 20522.1418 14481.7775 234.8878 -203026.1636 2547.4269 0.0000 0.0000 52256.9763 -109032.0528 300.3216 -161289.0292 -108665.0298 299.9638 67.4378 97.8734 761561.8847 5.4046 5.1061 PRESSURE: 2009600 -44.8816 -32.5123 233.202 -32.5122 -393.467 17.3719 233.202 17.3724 493.765 GPRESSURE: 2009600 10.1902 -154.332 206.32 -32.1067 -340.906 37.4476 215.75 120.296 440.981 PRESSAVG: 2009600 -45.514 -0.28864 -61.998 -0.288674 -6.96861 46.1624 -61.998 46.1624 10.1505 GPRESSAVG: 2009600 -44.9949 0.0105588 -61.7238 -3.1778 -7.29826 46.6832 -62.3653 48.1468 10.6091 TIMING: 2009600 CPU: 6352.42, 0.00316249/step Wall: 6352.42, 0.00316249/step, 2.62697 hours remaining, 235.652344 MB of memory in use. ENERGY: 2009600 3988.7618 20549.4256 14443.4869 253.4209 -203164.4397 2577.6596 0.0000 0.0000 52488.1282 -108863.5567 301.6500 -161351.6848 -108493.9944 300.0542 18.4722 36.7551 762834.2166 -14.1107 -13.8947 PRESSURE: 2009800 67.2582 -193.748 98.1354 -193.748 -246.666 -158.188 98.136 -158.189 314.802 GPRESSURE: 2009800 39.7162 -125.903 75.6393 -97.1284 -148.197 -153.36 64.565 -175.841 284.691 PRESSAVG: 2009800 51.4146 -55.7675 20.0818 -55.7675 -29.142 28.6393 20.0818 28.6393 9.82844 GPRESSAVG: 2009800 51.8863 -54.3922 19.4958 -55.6897 -29.4271 28.0085 20.095 29.2024 8.72267 TIMING: 2009800 CPU: 6353.06, 0.00317432/step Wall: 6353.06, 0.00317432/step, 2.63662 hours remaining, 235.652344 MB of memory in use. ENERGY: 2009800 4026.5413 20662.3311 14497.3823 250.4345 -203055.1116 2609.2131 0.0000 0.0000 52020.9806 -108988.2287 298.9653 -161009.2093 -108621.0001 300.1230 45.1315 58.7368 762563.3086 10.7004 10.3940 PRESSURE: 2010000 167.175 -53.5444 -154.678 -53.5448 -22.3271 -7.33836 -154.677 -7.33849 -56.758 GPRESSURE: 2010000 204.463 -159.816 -124.714 -121.948 85.7424 55.7574 -85.5157 9.5773 -98.5885 PRESSAVG: 2010000 61.5013 6.92611 -12.32 6.92615 -87.4917 5.68659 -12.3199 5.68657 2.2404 GPRESSAVG: 2010000 60.3571 6.88961 -11.1214 6.5406 -86.4946 6.48651 -13.0897 4.49094 2.13421 TIMING: 2010000 CPU: 6353.69, 0.00313988/step Wall: 6353.69, 0.00313988/step, 2.60785 hours remaining, 235.652344 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: 2010000 3945.4010 20574.6222 14442.6776 244.8129 -202983.3281 2579.8854 0.0000 0.0000 52092.0263 -109103.9028 299.3736 -161195.9291 -108729.9737 299.3307 29.3635 63.8722 762195.7475 -7.9167 -8.0011 PRESSURE: 2010200 -52.7668 98.6248 -165.622 98.624 281.354 214.27 -165.622 214.269 -83.9232 GPRESSURE: 2010200 -69.2102 52.3233 -116.576 81.5185 329.77 242.083 -72.807 73.1713 -37.8016 PRESSAVG: 2010200 -1.8449 -24.6783 21.1643 -24.6783 19.8806 63.1475 21.1644 63.1474 -7.74101 GPRESSAVG: 2010200 -1.49856 -25.4869 20.7311 -22.8898 19.1927 63.8837 21.0676 63.9221 -7.0406 TIMING: 2010200 CPU: 6354.32, 0.00314634/step Wall: 6354.32, 0.00314634/step, 2.61304 hours remaining, 235.652344 MB of memory in use. ENERGY: 2010200 3942.8836 20547.7440 14482.5557 263.9669 -203039.9326 2569.8637 0.0000 0.0000 51972.3670 -109260.5515 298.6859 -161232.9185 -108892.1471 299.2995 48.2214 74.2526 762580.7403 3.4316 3.5512 PRESSURE: 2010400 -59.8746 -128.293 181.777 -128.292 -52.9476 -140.427 181.776 -140.427 -62.4382 GPRESSURE: 2010400 -166.253 -67.4097 181.33 -87.9471 14.9398 -252.009 163.327 -117.436 27.5355 PRESSAVG: 2010400 -6.48629 -0.0645173 43.0952 -0.0645038 15.1924 10.3965 43.0953 10.3964 21.6125 GPRESSAVG: 2010400 -5.70658 0.979181 43.5548 -1.52987 14.0071 9.08877 44.4848 10.1866 22.4828 TIMING: 2010400 CPU: 6354.94, 0.00314451/step Wall: 6354.94, 0.00314451/step, 2.61134 hours remaining, 235.652344 MB of memory in use. ENERGY: 2010400 3939.0517 20494.0402 14519.8540 246.6489 -203189.9659 2535.0175 0.0000 0.0000 52219.2175 -109236.1363 300.1046 -161455.3538 -108866.2206 299.2838 -58.4201 -41.2593 763340.0295 10.1062 10.2611 PRESSURE: 2010600 -162.699 19.6938 164.493 19.6938 -151.562 149.186 164.494 149.186 -470.512 GPRESSURE: 2010600 -46.4119 46.2916 170.32 -35.7166 -162.734 171.633 124.183 72.4915 -503.388 PRESSAVG: 2010600 -20.8526 -3.84448 39.2725 -3.84443 -10.5261 26.9936 39.2725 26.9936 -7.42189 GPRESSAVG: 2010600 -21.1212 -3.48156 37.8981 -3.94986 -8.57462 26.5631 38.0045 28.2082 -8.80905 TIMING: 2010600 CPU: 6355.57, 0.00314913/step Wall: 6355.57, 0.00314913/step, 2.615 hours remaining, 235.652344 MB of memory in use. ENERGY: 2010600 4028.2142 20470.0653 14509.2335 233.2755 -202971.3142 2574.6488 0.0000 0.0000 51906.6711 -109249.2059 298.3084 -161155.8769 -108881.9556 299.1437 -261.5907 -237.5113 764075.9366 -12.9335 -12.8350 PRESSURE: 2010800 -91.0355 19.9101 235.191 19.9095 -348.239 237.633 235.191 237.633 -644.939 GPRESSURE: 2010800 -61.7817 -6.99509 378.76 -17.4461 -336.959 324.626 233.24 171.398 -580.448 PRESSAVG: 2010800 1.79247 3.89411 24.2545 3.89408 -4.30424 30.6166 24.2545 30.6166 -4.33361 GPRESSAVG: 2010800 1.44981 1.15902 24.4923 4.06067 -5.90308 31.3954 24.5044 29.5468 -2.19143 TIMING: 2010800 CPU: 6356.21, 0.00317174/step Wall: 6356.21, 0.00317174/step, 2.6336 hours remaining, 235.652344 MB of memory in use. ENERGY: 2010800 4040.4153 20415.4517 14501.8177 275.9888 -203214.4676 2590.1546 0.0000 0.0000 52092.7400 -109297.8995 299.3777 -161390.6395 -108928.7056 299.0889 -361.4048 -326.3963 764045.4264 -2.2818 -2.2149 PRESSURE: 2011000 -161.559 160.328 -57.717 160.327 -23.6376 -175.82 -57.717 -175.821 -22.1256 GPRESSURE: 2011000 -59.4596 69.8468 -51.9111 264.875 17.7297 -142.047 -183.153 -244.5 -62.2814 PRESSAVG: 2011000 -2.02546 40.8336 32.8839 40.8336 -4.36957 -1.49633 32.8839 -1.49638 -9.62613 GPRESSAVG: 2011000 -1.24246 41.3766 33.3265 41.4255 -3.83817 -1.6594 33.3939 0.0818346 -10.9342 TIMING: 2011000 CPU: 6356.84, 0.00315017/step Wall: 6356.84, 0.00315017/step, 2.61552 hours remaining, 235.652344 MB of memory in use. ENERGY: 2011000 3982.4289 20415.3975 14482.9147 240.3384 -203396.4734 2773.5220 0.0000 0.0000 52067.5974 -109434.2744 299.2332 -161501.8718 -109064.9067 298.9362 -69.1074 -34.6704 763352.0837 -5.3404 -5.3383 PRESSURE: 2011200 134.265 -189.3 368.815 -189.299 131.866 -167.981 368.816 -167.982 159.902 GPRESSURE: 2011200 127.366 -163.57 331.989 -215.853 85.6163 -137.853 326.668 -119.443 277.939 PRESSAVG: 2011200 11.0489 -18.7192 -1.28681 -18.7192 -0.561289 2.75973 -1.2868 2.75977 25.9118 GPRESSAVG: 2011200 11.2256 -18.0048 -1.11595 -19.6767 -0.976197 2.10129 -0.689882 1.75749 26.1248 TIMING: 2011200 CPU: 6357.47, 0.00314881/step Wall: 6357.47, 0.00314881/step, 2.61421 hours remaining, 235.652344 MB of memory in use. ENERGY: 2011200 3899.5985 20448.0536 14569.0464 241.9261 -203937.7109 3122.9436 0.0000 0.0000 52176.9699 -109479.1728 299.8618 -161656.1427 -109102.9093 299.1376 142.0109 163.6405 761704.8463 12.1331 12.1247 PRESSURE: 2011400 141.641 -136.265 14.0244 -136.265 17.5435 -199.755 14.0241 -199.755 -355.343 GPRESSURE: 2011400 201.362 -110.181 -69.5821 -111.816 23.9476 -180.675 42.7712 -108.009 -333.852 PRESSAVG: 2011400 -7.84173 16.0215 18.717 16.0215 34.0126 -15.9353 18.717 -15.9353 -3.92509 GPRESSAVG: 2011400 -7.84614 15.7323 18.268 14.5411 33.8051 -15.581 17.2711 -15.9145 -3.64813 TIMING: 2011400 CPU: 6358.1, 0.00315383/step Wall: 6358.1, 0.00315383/step, 2.61821 hours remaining, 235.652344 MB of memory in use. ENERGY: 2011400 4038.4647 20486.3784 14510.2887 261.7805 -203381.7262 2608.2699 0.0000 0.0000 52105.2768 -109371.2673 299.4497 -161476.5441 -109014.3724 299.0284 -65.3863 -36.1810 763604.7388 7.4152 7.4369 PRESSURE: 2011600 -461.965 96.9786 78.777 96.9785 -249.414 58.7216 78.7764 58.7216 -250.96 GPRESSURE: 2011600 -426.184 85.8035 75.6523 145.728 -193.333 43.0109 91.3156 73.8367 -268.824 PRESSAVG: 2011600 -23.908 -4.45327 0.237086 -4.4533 18.4274 -17.575 0.237122 -17.575 -6.39318 GPRESSAVG: 2011600 -23.4453 -4.49573 1.57716 -2.42226 18.81 -17.7954 1.03675 -15.81 -7.06312 TIMING: 2011600 CPU: 6358.73, 0.00314297/step Wall: 6358.73, 0.00314297/step, 2.60901 hours remaining, 235.652344 MB of memory in use. ENERGY: 2011600 3958.1516 20519.7233 14455.7907 242.0438 -203105.8419 2449.6509 0.0000 0.0000 52015.1113 -109465.3702 298.9316 -161480.4815 -109103.4152 298.9850 -320.7794 -296.1136 763213.7549 -3.9579 -3.8995 PRESSURE: 2011800 -136.979 153.387 148.16 153.387 43.4509 -26.5473 148.161 -26.5483 102.319 GPRESSURE: 2011800 -83.4681 180.486 94.3836 121.072 40.2433 -131.791 265.876 -11.756 143.802 PRESSAVG: 2011800 -2.51574 27.5419 -10.173 27.5419 10.1678 -69.8321 -10.173 -69.832 7.21936 GPRESSAVG: 2011800 -2.66836 28.3395 -11.8899 27.2383 9.72745 -69.6075 -10.0632 -70.4014 7.79833 TIMING: 2011800 CPU: 6359.36, 0.00314007/step Wall: 6359.36, 0.00314007/step, 2.60643 hours remaining, 235.652344 MB of memory in use. ENERGY: 2011800 4066.6116 20373.9643 14462.8775 269.2672 -203592.2931 2885.0494 0.0000 0.0000 52141.8862 -109392.6370 299.6601 -161534.5232 -109046.8789 298.6602 2.9303 33.5256 760135.8634 4.9571 4.9525 PRESSURE: 2012000 -238.516 5.89217 138.138 5.89214 -334.014 -167.725 138.137 -167.724 -479.155 GPRESSURE: 2012000 -271.77 -3.19448 100.742 148.149 -262.523 -251.607 43.333 -151.165 -429.538 PRESSAVG: 2012000 -19.232 60.2032 15.0085 60.2031 42.2839 -58.2985 15.0085 -58.2987 -1.74201 GPRESSAVG: 2012000 -19.0233 60.4338 15.3374 60.7601 42.7367 -58.3477 14.7135 -58.1925 -1.63602 TIMING: 2012000 CPU: 6359.98, 0.00314718/step Wall: 6359.98, 0.00314718/step, 2.61216 hours remaining, 235.652344 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: 2012000 3961.5909 20562.0333 14555.0660 265.5611 -203116.7899 2353.8600 0.0000 0.0000 52080.1734 -109338.5052 299.3055 -161418.6786 -108981.4894 298.8420 -350.5616 -321.2773 762742.6433 7.1033 7.3591 PRESSURE: 2012200 -48.6204 117.182 142.965 117.182 -302.405 -20.5803 142.965 -20.5811 230.729 GPRESSURE: 2012200 8.44416 144.878 170.21 241.837 -292.061 21.5976 86.0164 42.3977 262.038 PRESSAVG: 2012200 -35.1424 27.3218 5.82363 27.3217 20.5498 30.5725 5.82359 30.5725 17.9587 GPRESSAVG: 2012200 -35.0958 26.5634 6.68647 25.7167 21.0936 31.3793 4.35175 30.3542 18.1222 TIMING: 2012200 CPU: 6360.62, 0.00316131/step Wall: 6360.62, 0.00316131/step, 2.62371 hours remaining, 235.652344 MB of memory in use. ENERGY: 2012200 3974.6132 20583.5278 14480.7592 255.8399 -203512.0635 2635.4452 0.0000 0.0000 52027.8496 -109554.0285 299.0048 -161581.8781 -109193.1628 299.5750 -40.0988 -7.1928 760888.0134 1.1221 1.3734 LDB: ============= START OF LOAD BALANCING ============== 6373.15 LDB: ============== END OF LOAD BALANCING =============== 6373.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6373.15 LDB: ============= START OF LOAD BALANCING ============== 6373.47 LDB: Largest compute 7057 load 0.030778 is 15.7% of average load 0.195551 LDB: Average compute 0.004369 is 2.2% of average load 0.195551 LDB: TIME 6373.47 LOAD: AVG 0.195551 MAX 0.217188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 6373.47 LOAD: AVG 0.195551 MAX 0.217188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: TIME 6373.47 LOAD: AVG 0.195551 MAX 0.217188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: ============== END OF LOAD BALANCING =============== 6373.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6373.48 PRESSURE: 2012400 -34.7077 129.88 237.787 129.881 41.0873 127.535 237.787 127.535 247.711 GPRESSURE: 2012400 83.3515 102.064 145.22 124.871 30.1171 201.268 186.116 131.284 222.583 PRESSAVG: 2012400 -5.92159 -0.55 47.3323 -0.550004 6.93667 1.92161 47.3322 1.92163 8.34254 GPRESSAVG: 2012400 -4.84736 0.338007 45.477 1.40379 7.43169 2.00892 48.2572 2.62793 7.00815 TIMING: 2012400 CPU: 6361.26, 0.003212/step Wall: 6361.26, 0.003212/step, 2.6656 hours remaining, 235.652344 MB of memory in use. ENERGY: 2012400 3983.7939 20588.2398 14480.0359 247.2329 -203228.1899 2539.8025 0.0000 0.0000 51961.0469 -109428.0381 298.6209 -161389.0850 -109068.1378 299.2154 84.6968 112.0172 759946.9741 3.1192 3.1975 PRESSURE: 2012600 -441.852 -253.896 -144.826 -253.896 -48.1581 141.054 -144.826 141.053 -481.658 GPRESSURE: 2012600 -512.607 -275.668 -190.891 -153.905 -2.23959 152.896 -215.782 140.659 -352.287 PRESSAVG: 2012600 0.504359 -22.4494 57.4284 -22.4495 12.3466 54.7273 57.4284 54.7273 14.7153 GPRESSAVG: 2012600 1.49268 -24.194 55.9814 -23.9292 11.6812 53.3001 59.7735 54.9733 15.3442 TIMING: 2012600 CPU: 6361.89, 0.00314435/step Wall: 6361.89, 0.00314435/step, 2.60928 hours remaining, 235.652344 MB of memory in use. ENERGY: 2012600 3981.2700 20530.3467 14447.0936 271.5021 -203721.0719 2667.6908 0.0000 0.0000 52302.1265 -109521.0421 300.5810 -161823.1686 -109158.2066 299.2491 -323.8893 -289.0444 760458.2162 9.1887 9.5060 PRESSURE: 2012800 -12.6031 199.609 34.2513 199.609 28.716 -27.4576 34.2514 -27.4573 -139.764 GPRESSURE: 2012800 40.8255 219.778 -3.74287 156.611 88.691 -56.0149 106.926 63.3797 -166.18 PRESSAVG: 2012800 -8.79384 -25.1282 -21.3702 -25.1282 37.9176 12.3542 -21.3702 12.3541 1.07937 GPRESSAVG: 2012800 -9.82101 -24.0208 -20.0131 -23.6048 37.7558 12.3115 -24.0335 12.4675 2.19308 TIMING: 2012800 CPU: 6362.52, 0.00315131/step Wall: 6362.52, 0.00315131/step, 2.61489 hours remaining, 235.652344 MB of memory in use. ENERGY: 2012800 4066.4987 20393.2724 14460.1140 242.0277 -204085.2888 2893.8883 0.0000 0.0000 52367.2677 -109662.2202 300.9554 -162029.4879 -109302.3370 299.3546 -41.2169 -12.2210 759296.0508 10.0677 10.0426 PRESSURE: 2013000 28.7949 -9.49905 108.885 -9.49828 -397.96 89.9479 108.884 89.9479 -132.725 GPRESSURE: 2013000 74.821 33.0917 108.19 37.095 -357.065 147.95 154.66 -63.1446 -141.202 PRESSAVG: 2013000 18.8539 40.864 22.5627 40.8641 -14.7874 6.19739 22.5627 6.19745 -7.31087 GPRESSAVG: 2013000 17.9696 40.8444 23.5229 39.0872 -12.8432 6.964 22.7364 4.57011 -8.64333 TIMING: 2013000 CPU: 6363.15, 0.00313758/step Wall: 6363.15, 0.00313758/step, 2.60332 hours remaining, 235.652344 MB of memory in use. ENERGY: 2013000 4008.6781 20671.0089 14446.7792 254.8874 -203713.9172 2749.3469 0.0000 0.0000 51902.7063 -109680.5103 298.2856 -161583.2166 -109325.4204 299.1353 -167.2965 -141.1489 761618.9892 -1.0815 -1.1723 PRESSURE: 2013200 -82.2487 47.4591 102.923 47.4588 -166.439 67.1978 102.922 67.197 183.449 GPRESSURE: 2013200 -1.22645 140.403 163.559 79.7635 -137.415 44.2948 -16.38 56.4917 174.597 PRESSAVG: 2013200 -25.6935 5.2142 46.0402 5.21422 39.5305 -41.7988 46.0401 -41.7988 15.8142 GPRESSAVG: 2013200 -25.056 4.97463 46.1224 5.79908 39.0098 -43.9984 46.2347 -42.6713 15.8057 TIMING: 2013200 CPU: 6363.77, 0.00313939/step Wall: 6363.77, 0.00313939/step, 2.60465 hours remaining, 235.652344 MB of memory in use. ENERGY: 2013200 3974.5804 20511.6354 14492.6797 244.5191 -203430.9984 2626.8104 0.0000 0.0000 51900.9042 -109679.8693 298.2752 -161580.7734 -109321.7811 298.5621 -21.7465 11.9854 761856.1253 9.8837 9.9198 PRESSURE: 2013400 -214.817 3.36787 -200.872 3.36849 8.60505 147.43 -200.872 147.43 509.268 GPRESSURE: 2013400 -102.206 -39.1719 -151.936 2.81364 19.2441 167.558 57.4325 136.515 479.078 PRESSAVG: 2013400 -13.4636 26.0432 -0.864519 26.0433 29.0229 3.24304 -0.864545 3.24307 5.31609 GPRESSAVG: 2013400 -13.9877 25.3235 -1.19775 26.1681 28.8686 6.78861 -1.08471 2.86721 5.93667 TIMING: 2013400 CPU: 6364.41, 0.00315584/step Wall: 6364.41, 0.00315584/step, 2.61812 hours remaining, 235.652344 MB of memory in use. ENERGY: 2013400 3981.4149 20516.2195 14446.1492 253.5427 -203913.6761 2832.7581 0.0000 0.0000 52166.6318 -109716.9599 299.8024 -161883.5917 -109353.0710 298.5539 101.0187 132.0387 760515.2759 6.9585 6.9392 PRESSURE: 2013600 -396.355 -316.93 74.8384 -316.931 -139.406 20.0145 74.8387 20.0159 156.569 GPRESSURE: 2013600 -313.934 -268.226 16.1178 -343.21 -146.156 32.6949 138.018 37.3803 155.662 PRESSAVG: 2013600 -95.3771 50.9649 0.938753 50.9649 77.2533 -3.59068 0.938719 -3.5907 -6.44209 GPRESSAVG: 2013600 -94.304 51.6467 0.41109 51.0588 75.8151 -3.78351 0.993059 -2.71486 -5.85143 TIMING: 2013600 CPU: 6365.03, 0.00314218/step Wall: 6365.03, 0.00314218/step, 2.60661 hours remaining, 235.652344 MB of memory in use. ENERGY: 2013600 4015.3209 20631.8032 14492.2681 257.7316 -203344.1846 2435.4162 0.0000 0.0000 51927.8354 -109583.8091 298.4300 -161511.6446 -109224.4193 298.8902 -126.3974 -101.4760 761655.8880 -8.1886 -8.1134 PRESSURE: 2013800 -90.7097 -135.879 -25.1603 -135.879 209.014 -32.1301 -25.1602 -32.13 130.161 GPRESSURE: 2013800 -20.5757 69.3594 60.4195 -68.9555 268.06 -78.4128 48.1291 27.781 77.26 PRESSAVG: 2013800 -73.9325 0.140631 21.6809 0.140606 66.2666 31.9911 21.681 31.9911 7.43698 GPRESSAVG: 2013800 -74.9025 1.43157 22.3033 -0.522614 68.0981 29.6197 21.6888 32.7685 6.62471 TIMING: 2013800 CPU: 6365.67, 0.00316144/step Wall: 6365.67, 0.00316144/step, 2.62241 hours remaining, 235.652344 MB of memory in use. ENERGY: 2013800 4027.2150 20746.9852 14437.3663 254.4845 -203741.3408 2745.2802 0.0000 0.0000 51919.5211 -109610.4884 298.3822 -161530.0096 -109252.8990 299.1379 82.8217 108.2481 760130.3666 -0.0763 -0.0599 PRESSURE: 2014000 139.215 37.6978 -90.2875 37.6976 78.1679 77.0972 -90.287 77.0956 334.74 GPRESSURE: 2014000 149.264 -58.0816 -11.4999 20.8478 139.608 89.6739 -53.9653 -71.2743 308.001 PRESSAVG: 2014000 -26.6041 20.1794 7.52548 20.1794 6.68697 18.1719 7.52545 18.1718 10.4261 GPRESSAVG: 2014000 -26.0778 16.7226 7.48553 22.0831 6.67711 18.1885 8.77478 17.2055 9.82442 TIMING: 2014000 CPU: 6366.3, 0.00315377/step Wall: 6366.3, 0.00315377/step, 2.61587 hours remaining, 235.652344 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: 2014000 4000.7500 20448.4929 14458.5990 246.1308 -203623.3895 2637.1569 0.0000 0.0000 51923.7763 -109908.4836 298.4067 -161832.2600 -109543.3813 298.2721 184.0411 198.9578 760019.5437 -3.1637 -3.1921 PRESSURE: 2014200 -112.11 4.0826 179.439 4.08207 -9.13132 333.68 179.438 333.68 -67.5102 GPRESSURE: 2014200 -80.6409 2.99146 85.1418 -79.5499 29.9379 237.66 226.402 248.142 -56.4572 PRESSAVG: 2014200 30.1357 10.0874 -1.67691 10.0873 7.83962 14.4591 -1.67694 14.4591 0.568546 GPRESSAVG: 2014200 29.1946 13.5697 -0.582356 7.60502 7.10695 15.3435 -2.25328 15.5098 1.91665 TIMING: 2014200 CPU: 6366.93, 0.00314618/step Wall: 6366.93, 0.00314618/step, 2.60941 hours remaining, 235.652344 MB of memory in use. ENERGY: 2014200 4041.9018 20472.3082 14463.7382 228.1381 -203879.6532 2865.2068 0.0000 0.0000 51925.5858 -109882.7745 298.4171 -161808.3602 -109517.5854 298.3028 -62.9171 -35.7201 759402.9862 12.8480 12.7394 PRESSURE: 2014400 85.5715 -6.62204 -73.7395 -6.62067 -140.449 -104.812 -73.7394 -104.813 -298.221 GPRESSURE: 2014400 92.5864 59.175 2.84718 -89.6196 -116.635 -116.757 -93.9091 -214.739 -235.409 PRESSAVG: 2014400 -1.60618 -8.64681 6.98487 -8.64675 35.5428 23.2728 6.98488 23.2728 14.12 GPRESSAVG: 2014400 -0.826657 -11.1171 7.55768 -7.40895 35.9722 23.675 8.73061 21.398 13.068 TIMING: 2014400 CPU: 6367.56, 0.00316311/step Wall: 6367.56, 0.00316311/step, 2.62327 hours remaining, 235.652344 MB of memory in use. ENERGY: 2014400 4029.3428 20590.3432 14455.2494 243.8581 -203847.7114 2983.0972 0.0000 0.0000 51701.5638 -109844.2568 297.1296 -161545.8207 -109486.6999 298.3395 -117.6994 -86.4859 761193.1027 16.0189 16.0712 PRESSURE: 2014600 158.904 96.321 -156.565 96.3207 53.4391 34.2407 -156.565 34.24 163.792 GPRESSURE: 2014600 260.807 110.177 -67.4283 31.6746 131.134 -12.9242 -225.963 0.462441 63.306 PRESSAVG: 2014600 -37.8209 11.6865 -50.501 11.6865 -60.3651 39.3584 -50.5011 39.3584 -9.54649 GPRESSAVG: 2014600 -38.0766 13.6683 -51.7813 11.2903 -60.0403 40.5251 -52.5987 40.0979 -10.1501 TIMING: 2014600 CPU: 6368.19, 0.00314873/step Wall: 6368.19, 0.00314873/step, 2.61117 hours remaining, 235.652344 MB of memory in use. ENERGY: 2014600 4025.1366 20470.3050 14498.5145 270.3482 -203933.3130 2827.8779 0.0000 0.0000 51788.3648 -110052.7659 297.6284 -161841.1307 -109693.8687 297.6898 125.3784 151.7489 761436.1012 -35.9109 -36.0890 PRESSURE: 2014800 44.0777 -177.034 41.7347 -177.034 -394.747 309.626 41.7354 309.626 -286.892 GPRESSURE: 2014800 121.12 -178.177 50.3163 -117.245 -269.41 286.272 116.329 195.042 -396.195 PRESSAVG: 2014800 35.5971 -1.34492 6.53639 -1.34495 -8.82153 -32.3659 6.53646 -32.3659 -7.20896 GPRESSAVG: 2014800 35.0888 -3.43838 7.24591 -2.40196 -7.73382 -32.9811 6.99776 -32.5792 -7.65989 TIMING: 2014800 CPU: 6368.82, 0.00315018/step Wall: 6368.82, 0.00315018/step, 2.6122 hours remaining, 235.652344 MB of memory in use. ENERGY: 2014800 3993.6160 20481.9008 14421.7439 259.6169 -203774.8919 2802.1265 0.0000 0.0000 51861.0356 -109954.8523 298.0461 -161815.8879 -109592.0586 297.6931 -212.5205 -181.4948 762446.1666 6.5222 6.5650 PRESSURE: 2015000 43.4248 -182.771 79.6048 -182.77 113.089 -76.5812 79.6065 -76.5815 31.1952 GPRESSURE: 2015000 94.3471 -249.073 100.074 -151.399 128.382 -48.24 176.251 -66.8799 48.2833 PRESSAVG: 2015000 -23.2339 -2.21482 34.65 -2.21493 45.2578 26.2145 34.65 26.2145 18.8289 GPRESSAVG: 2015000 -23.0287 -1.08308 33.4034 -1.61834 43.7255 26.3912 35.2101 27.6323 19.7055 TIMING: 2015000 CPU: 6369.45, 0.00316974/step Wall: 6369.45, 0.00316974/step, 2.62824 hours remaining, 235.652344 MB of memory in use. ENERGY: 2015000 4002.5885 20341.5246 14488.6078 264.4199 -203749.5929 2959.8184 0.0000 0.0000 51665.5834 -110027.0504 296.9228 -161692.6338 -109671.6997 297.5307 62.5695 90.3373 762147.8528 13.6176 13.4674 PRESSURE: 2015200 100.447 -137.315 -91.3146 -137.314 36.9946 56.8391 -91.315 56.8396 245.403 GPRESSURE: 2015200 167.663 -122.353 -31.2719 -94.1679 140.777 -64.5474 -76.342 -17.8169 165.449 PRESSAVG: 2015200 0.388607 -35.5692 29.7207 -35.5692 37.7835 -3.13225 29.7208 -3.13224 10.2119 GPRESSAVG: 2015200 0.75282 -36.1501 29.7414 -36.1912 38.2641 -3.51372 28.5211 -4.90286 9.34069 TIMING: 2015200 CPU: 6370.08, 0.00314584/step Wall: 6370.08, 0.00314584/step, 2.60825 hours remaining, 235.652344 MB of memory in use. ENERGY: 2015200 3989.7399 20566.9492 14486.6970 237.7902 -203833.3251 2845.4489 0.0000 0.0000 51801.5862 -109905.1136 297.7044 -161706.6998 -109546.7349 297.6973 127.6147 157.9630 759365.4050 16.1280 16.1192 PRESSURE: 2015400 -192.565 -98.107 -13.7479 -98.1073 -55.6065 182.117 -13.7475 182.117 -13.3632 GPRESSURE: 2015400 -219.743 -112.554 28.9971 -212.141 -34.877 230.273 -28.7211 54.9102 83.3074 PRESSAVG: 2015400 0.687228 -16.6808 6.78618 -16.6807 5.71518 0.913386 6.78618 0.913322 -7.28202 GPRESSAVG: 2015400 -0.553815 -16.5341 7.91616 -16.3631 5.22772 0.727395 7.9879 1.5056 -5.86223 TIMING: 2015400 CPU: 6370.71, 0.00314614/step Wall: 6370.71, 0.00314614/step, 2.60833 hours remaining, 235.652344 MB of memory in use. ENERGY: 2015400 3941.7324 20439.4292 14469.9266 230.9417 -203356.2229 2635.5822 0.0000 0.0000 51642.1385 -109996.4723 296.7881 -161638.6108 -109633.3917 297.7642 -87.1782 -57.1041 760108.5379 -0.2932 -0.3961 PRESSURE: 2015600 -293.622 -74.2515 -32.9054 -74.2512 159.899 -51.4572 -32.9051 -51.4568 39.1197 GPRESSURE: 2015600 -169.22 -29.3981 2.39179 -59.0281 147.939 -44.7681 -61.4401 37.1235 17.6642 PRESSAVG: 2015600 47.3167 31.9791 13.4277 31.9791 -27.1924 51.6034 13.4277 51.6034 -11.4186 GPRESSAVG: 2015600 46.8311 31.0899 13.3762 33.3237 -27.485 52.5498 12.1738 53.4554 -11.5822 TIMING: 2015600 CPU: 6371.34, 0.00314906/step Wall: 6371.34, 0.00314906/step, 2.61057 hours remaining, 235.652344 MB of memory in use. ENERGY: 2015600 4035.0753 20515.4814 14523.6715 269.6241 -203825.2814 2781.2091 0.0000 0.0000 51889.1934 -109811.0265 298.2079 -161700.2199 -109460.7734 297.7216 -31.5344 -1.2059 760970.0532 2.9019 2.5880 PRESSURE: 2015800 -273.246 -96.728 -99.7306 -96.7288 -196.278 -73.8282 -99.7308 -73.8274 333.019 GPRESSURE: 2015800 -170.809 -11.927 -81.5747 -125.046 -110.696 -83.6983 -135.324 -58.0422 230.008 PRESSAVG: 2015800 3.47115 22.2912 -40.9557 22.2912 23.084 65.551 -40.9558 65.551 -10.0353 GPRESSAVG: 2015800 5.62858 24.7687 -40.7992 19.7396 23.1306 64.2632 -41.7051 65.2889 -11.5889 TIMING: 2015800 CPU: 6371.97, 0.00315451/step Wall: 6371.97, 0.00315451/step, 2.61492 hours remaining, 235.652344 MB of memory in use. ENERGY: 2015800 3966.7303 20418.9594 14501.4872 237.0135 -203421.6753 2618.2709 0.0000 0.0000 51927.1278 -109752.0862 298.4259 -161679.2140 -109391.5664 298.1964 -45.5018 -17.1658 761610.7828 5.5066 5.7234 PRESSURE: 2016000 130.64 -25.6461 -42.3839 -25.6466 128.723 78.4208 -42.3843 78.4205 248.447 GPRESSURE: 2016000 161.024 -51.2902 -0.943058 -77.5716 83.3652 -26.3459 -3.32784 -40.2384 346.502 PRESSAVG: 2016000 5.98961 -3.23882 -38.5592 -3.23889 9.78366 36.6661 -38.5592 36.6661 -0.42685 GPRESSAVG: 2016000 4.8613 -5.07994 -38.9626 -0.0591482 9.49508 37.0455 -36.212 37.0572 0.744663 TIMING: 2016000 CPU: 6372.6, 0.00316055/step Wall: 6372.6, 0.00316055/step, 2.61975 hours remaining, 235.652344 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: 2016000 3969.5461 20509.7238 14503.2622 249.2714 -203311.9910 2626.2558 0.0000 0.0000 52006.4778 -109447.4538 298.8819 -161453.9316 -109093.3858 298.5181 169.2699 196.9635 761066.5763 5.1155 5.0337 PRESSURE: 2016200 45.3576 -130.981 -65.8486 -130.981 -526.255 102.455 -65.8499 102.456 288.557 GPRESSURE: 2016200 30.9031 -110.528 56.0999 -161.737 -388.209 79.8167 -111.673 126.267 258.068 PRESSAVG: 2016200 -2.34068 -58.9061 -40.7235 -58.9061 11.0184 20.9626 -40.7235 20.9626 -12.5459 GPRESSAVG: 2016200 -1.86283 -58.8264 -40.4379 -59.0654 10.4534 19.0223 -41.9373 20.3392 -12.2566 TIMING: 2016200 CPU: 6373.23, 0.00314195/step Wall: 6373.23, 0.00314195/step, 2.60416 hours remaining, 235.652344 MB of memory in use. ENERGY: 2016200 3947.7584 20434.5680 14540.9365 222.7180 -202795.0971 2058.0674 0.0000 0.0000 52021.2448 -109569.8039 298.9668 -161591.0487 -109208.3169 298.7832 -64.1136 -33.0796 762019.1802 -1.2894 -1.2220 LDB: ============= START OF LOAD BALANCING ============== 6385.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6385.77 LDB: =============== DONE WITH MIGRATION ================ 6385.77 LDB: ============= START OF LOAD BALANCING ============== 6386.08 LDB: Largest compute 7060 load 0.031478 is 16.1% of average load 0.195477 LDB: Average compute 0.004416 is 2.3% of average load 0.195477 LDB: TIME 6386.09 LOAD: AVG 0.195477 MAX 0.216769 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 6386.09 LOAD: AVG 0.195477 MAX 0.216769 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: TIME 6386.09 LOAD: AVG 0.195477 MAX 0.216769 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: ============== END OF LOAD BALANCING =============== 6386.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6386.09 PRESSURE: 2016400 -437.747 -56.8382 124.822 -56.8381 119.027 13.2997 124.822 13.2997 119.364 GPRESSURE: 2016400 -392.785 -31.657 118.566 24.392 174.492 -2.68712 82.7976 -95.1186 82.1149 PRESSAVG: 2016400 19.2811 -9.97075 -42.6606 -9.97074 1.25105 -7.78841 -42.6607 -7.78845 -7.12251 GPRESSAVG: 2016400 19.4451 -10.237 -43.2287 -10.461 1.98187 -7.30201 -41.4165 -6.94859 -8.24705 TIMING: 2016400 CPU: 6373.88, 0.00322272/step Wall: 6373.88, 0.00322272/step, 2.67091 hours remaining, 234.996094 MB of memory in use. ENERGY: 2016400 4009.7459 20440.9752 14511.8746 237.4531 -203038.0116 2455.5649 0.0000 0.0000 52055.1455 -109327.2524 299.1616 -161382.3979 -108981.0718 299.0304 -66.4521 -45.3928 760826.8553 4.4699 4.3933 PRESSURE: 2016600 147.165 -158.726 -32.105 -158.726 123.623 -108.291 -32.1044 -108.29 54.4445 GPRESSURE: 2016600 213.808 -58.9776 -90.3801 -117.28 134.967 -46.3926 -98.0149 -15.2263 60.9124 PRESSAVG: 2016600 65.7441 -10.6277 -64.9564 -10.6276 2.90451 33.3022 -64.9564 33.3022 1.12764 GPRESSAVG: 2016600 65.306 -10.6277 -66.5855 -11.4663 2.69179 33.5807 -66.4748 34.2075 1.27112 TIMING: 2016600 CPU: 6374.5, 0.00314076/step Wall: 6374.5, 0.00314076/step, 2.60282 hours remaining, 235.066406 MB of memory in use. ENERGY: 2016600 3955.6143 20415.4220 14525.4682 258.5019 -203477.3397 2845.7091 0.0000 0.0000 52087.9374 -109388.6869 299.3501 -161476.6243 -109016.7988 299.3428 108.4110 136.5626 761512.1513 23.2588 23.0896 PRESSURE: 2016800 -139.923 101.422 -40.4385 101.421 475.118 46.4895 -40.4392 46.4894 48.4121 GPRESSURE: 2016800 -64.1455 42.6465 -14.7229 80.8282 458.452 91.2187 -40.0806 38.7938 54.7684 PRESSAVG: 2016800 -0.359943 -33.9528 -13.9164 -33.9528 -27.7709 9.91545 -13.9163 9.9155 21.4434 GPRESSAVG: 2016800 1.41797 -32.109 -12.1089 -33.9114 -29.2225 9.45113 -13.0791 9.3815 21.0018 TIMING: 2016800 CPU: 6375.14, 0.00316288/step Wall: 6375.14, 0.00316288/step, 2.62097 hours remaining, 235.066406 MB of memory in use. ENERGY: 2016800 3990.0009 20662.6970 14544.5655 249.3388 -203660.3195 2925.3021 0.0000 0.0000 52153.5835 -109134.8317 299.7274 -161288.4152 -108786.0705 298.7339 127.8692 149.6916 761539.5113 -2.2291 -2.2676 PRESSURE: 2017000 210.698 58.6228 -252.662 58.623 137.166 31.4231 -252.662 31.4212 529.612 GPRESSURE: 2017000 359.774 23.0334 -246.894 83.1887 117.036 11.8112 -303.938 -159.918 476.233 PRESSAVG: 2017000 10.3834 48.9538 15.0446 48.9537 -12.7424 -28.4694 15.0445 -28.4695 17.0729 GPRESSAVG: 2017000 8.16617 47.6571 12.422 50.4538 -10.6198 -29.1524 15.4409 -30.0731 17.0424 TIMING: 2017000 CPU: 6375.77, 0.00314833/step Wall: 6375.77, 0.00314833/step, 2.60874 hours remaining, 235.066406 MB of memory in use. ENERGY: 2017000 3951.3437 20559.4661 14541.2539 265.4704 -203536.8163 2849.3221 0.0000 0.0000 52223.5810 -109146.3790 300.1296 -161369.9601 -108783.8863 299.5039 292.4921 317.6809 761837.7753 4.9046 4.8629 PRESSURE: 2017200 22.406 -44.5324 -4.35511 -44.5331 64.6796 -53.2624 -4.35615 -53.2629 104.05 GPRESSURE: 2017200 32.1448 -124.62 81.4182 -29.2687 155.701 -39.8569 149.035 33.0663 94.5289 PRESSAVG: 2017200 -52.2143 -1.52602 9.85856 -1.526 29.9219 -17.2002 9.85852 -17.2003 10.0948 GPRESSAVG: 2017200 -51.5436 -0.513527 10.9196 -3.53775 28.3246 -16.4039 9.08962 -17.3728 11.8581 TIMING: 2017200 CPU: 6376.4, 0.00315043/step Wall: 6376.4, 0.00315043/step, 2.61031 hours remaining, 235.066406 MB of memory in use. ENERGY: 2017200 3960.6158 20560.5198 14399.3444 237.8418 -203355.0749 2784.7547 0.0000 0.0000 52267.0537 -109144.9448 300.3795 -161411.9985 -108782.0483 299.5429 63.7119 94.1249 761316.1534 -4.0659 -3.7870 PRESSURE: 2017400 -16.7343 -99.2445 179.546 -99.2445 153.206 -343.392 179.547 -343.393 36.0515 GPRESSURE: 2017400 -16.0208 -43.6622 167.011 -176.343 183.816 -360.094 197.194 -223.521 90.8025 PRESSAVG: 2017400 -43.5939 -26.3731 -8.95758 -26.3731 60.1434 25.5449 -8.95761 25.5449 -10.8906 GPRESSAVG: 2017400 -44.6425 -27.237 -7.50087 -26.0407 60.8115 26.2061 -9.05452 27.8295 -10.8924 TIMING: 2017400 CPU: 6377.03, 0.00314595/step Wall: 6377.03, 0.00314595/step, 2.60642 hours remaining, 235.066406 MB of memory in use. ENERGY: 2017400 4001.2781 20601.6135 14434.5177 243.6577 -202919.9518 2597.7252 0.0000 0.0000 52032.8445 -109008.3151 299.0335 -161041.1596 -108643.7710 300.2584 57.5078 86.1992 762502.5503 1.8863 1.7588 PRESSURE: 2017600 -30.82 287.997 251.77 287.996 -143.538 -80.1513 251.771 -80.1505 825.634 GPRESSURE: 2017600 19.257 280.216 90.7593 236.568 -92.5367 -59.2822 294.722 9.88786 815.409 PRESSAVG: 2017600 -24.1527 21.9434 -33.5909 21.9434 69.2664 -31.3746 -33.591 -31.3745 -12.5307 GPRESSAVG: 2017600 -23.1608 23.5116 -34.6112 20.1221 69.3971 -31.5544 -35.2158 -33.1195 -13.2056 TIMING: 2017600 CPU: 6377.65, 0.00313773/step Wall: 6377.65, 0.00313773/step, 2.59943 hours remaining, 235.066406 MB of memory in use. ENERGY: 2017600 3954.2057 20657.4918 14500.6235 244.8388 -203538.3633 2789.6107 0.0000 0.0000 52209.7075 -109181.8853 300.0499 -161391.5929 -108823.3000 299.9270 217.0919 247.3766 760093.2720 10.8610 11.0102 PRESSURE: 2017800 -477.812 9.01401 -73.2018 9.01388 -277.173 123.667 -73.2015 123.668 -288.783 GPRESSURE: 2017800 -435.859 -5.59984 -1.50838 -60.2087 -217.944 85.2141 -67.1284 14.1162 -275.015 PRESSAVG: 2017800 14.7152 8.51567 -22.4069 8.51566 -29.7459 -10.4741 -22.4069 -10.4741 3.80844 GPRESSAVG: 2017800 15.8698 7.01705 -21.7159 11.5975 -29.376 -11.1513 -19.6769 -10.0471 2.58843 TIMING: 2017800 CPU: 6378.28, 0.00313983/step Wall: 6378.28, 0.00313983/step, 2.601 hours remaining, 235.066406 MB of memory in use. ENERGY: 2017800 4019.9016 20543.4272 14524.0037 232.2550 -202544.2086 1973.7149 0.0000 0.0000 52070.7543 -109180.1520 299.2513 -161250.9063 -108816.4007 299.8278 -347.9227 -309.6057 762592.2635 -3.7408 -3.6393 PRESSURE: 2018000 285.65 -32.0876 -60.6117 -32.0883 332.377 -76.0586 -60.6124 -76.0579 605.76 GPRESSURE: 2018000 300.193 78.1011 -73.3148 -131.369 435.374 -84.7733 -123.138 7.66388 581.695 PRESSAVG: 2018000 25.4044 17.3113 -27.0197 17.3113 -12.6739 7.80118 -27.0196 7.80118 -11.7468 GPRESSAVG: 2018000 23.2306 19.3534 -26.7935 16.8923 -13.0938 8.68039 -28.7628 5.13968 -9.10391 TIMING: 2018000 CPU: 6378.91, 0.00314409/step Wall: 6378.91, 0.00314409/step, 2.60435 hours remaining, 235.066406 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: 2018000 3929.5695 20660.3674 14461.4211 270.3941 -203480.7271 2962.9077 0.0000 0.0000 52082.2112 -109113.8562 299.3172 -161196.0674 -108748.2068 299.9790 407.9290 439.0872 759880.2709 0.3279 0.3443 PRESSURE: 2018200 246.067 170.366 -78.525 170.366 36.7836 -53.5602 -78.5251 -53.5604 19.4354 GPRESSURE: 2018200 328.405 -9.45999 -43.7676 112.621 26.3373 5.16315 -68.2545 43.4803 39.3457 PRESSAVG: 2018200 41.6511 12.6452 -6.36823 12.6452 -20.012 -3.04959 -6.36826 -3.04963 -19.8758 GPRESSAVG: 2018200 43.5643 11.1893 -6.44978 12.223 -20.7471 -2.23219 -7.74209 -0.348783 -20.737 TIMING: 2018200 CPU: 6379.54, 0.00314205/step Wall: 6379.54, 0.00314205/step, 2.60249 hours remaining, 235.066406 MB of memory in use. ENERGY: 2018200 3954.8199 20558.4175 14473.2718 247.4752 -203097.8215 2499.5276 0.0000 0.0000 52322.1096 -109042.1999 300.6959 -161364.3095 -108679.1007 299.8962 100.7620 131.3626 761657.6684 0.5878 0.6934 PRESSURE: 2018400 -294.562 63.7064 -32.6074 63.7067 -256.715 -150.616 -32.6069 -150.616 -82.8619 GPRESSURE: 2018400 -227.467 59.9686 -45.7865 26.4136 -221.644 -149.303 -35.8187 -173.207 -98.8158 PRESSAVG: 2018400 48.3212 37.3287 -5.77425 37.3287 -34.1902 -18.0357 -5.77419 -18.0358 -3.0049 GPRESSAVG: 2018400 47.9339 37.9555 -5.97179 37.2306 -32.9203 -19.6975 -3.53617 -18.085 -3.67242 TIMING: 2018400 CPU: 6380.17, 0.00314562/step Wall: 6380.17, 0.00314562/step, 2.60527 hours remaining, 235.066406 MB of memory in use. ENERGY: 2018400 3993.8051 20479.4326 14517.2891 235.7313 -202812.0720 2104.9523 0.0000 0.0000 52465.7487 -109015.1129 301.5214 -161480.8616 -108641.8789 300.4156 -211.3797 -182.6420 762759.0092 3.7087 3.7804 PRESSURE: 2018600 -39.9561 -93.41 -39.1569 -93.4097 70.0075 -47.8365 -39.1573 -47.8364 171.3 GPRESSURE: 2018600 42.2548 -146.247 -29.7475 -62.915 166.115 -15.3311 49.172 34.6574 102.35 PRESSAVG: 2018600 11.6687 2.81339 -3.62853 2.81338 -44.9639 6.23229 -3.62852 6.23223 -18.6654 GPRESSAVG: 2018600 11.1436 1.69157 -4.70497 3.6379 -45.1583 7.02325 -4.91726 5.10069 -17.999 TIMING: 2018600 CPU: 6380.8, 0.00315609/step Wall: 6380.8, 0.00315609/step, 2.61377 hours remaining, 235.066406 MB of memory in use. ENERGY: 2018600 4007.1137 20479.0394 14524.4133 246.3687 -203807.3992 3060.0986 0.0000 0.0000 52325.5285 -109164.8371 300.7155 -161490.3655 -108807.0465 300.1294 67.1172 103.5733 762944.4723 -17.3202 -17.3379 PRESSURE: 2018800 -130.048 -48.897 141.291 -48.8969 -160.388 -87.2412 141.29 -87.2407 -430.294 GPRESSURE: 2018800 -182.926 -26.482 90.7548 -124.886 -65.0083 -104.681 84.5176 -77.2018 -394.042 PRESSAVG: 2018800 0.653733 -24.977 42.694 -24.9769 -31.8426 10.9162 42.694 10.9161 36.8269 GPRESSAVG: 2018800 1.60969 -25.1796 45.1734 -25.5652 -31.7838 9.43777 43.799 10.1172 36.0433 TIMING: 2018800 CPU: 6381.43, 0.00316723/step Wall: 6381.43, 0.00316723/step, 2.62282 hours remaining, 235.066406 MB of memory in use. ENERGY: 2018800 3950.6201 20631.6312 14459.0635 258.0319 -203109.2260 2623.3280 0.0000 0.0000 51934.2679 -109252.2833 298.4670 -161186.5512 -108895.5242 299.8631 -240.2434 -213.9923 762155.6577 1.8794 1.9564 PRESSURE: 2019000 88.6401 27.5944 -86.4225 27.5945 7.32333 43.4131 -86.4221 43.4123 -159.059 GPRESSURE: 2019000 101.959 -18.8719 -197.067 37.2417 89.8991 -7.21441 -8.76068 36.5721 -167.06 PRESSAVG: 2019000 50.5907 13.3328 -46.1311 13.3328 -64.3527 11.4867 -46.1311 11.4866 -14.6812 GPRESSAVG: 2019000 49.8411 12.8204 -47.2667 14.298 -65.11 12.3913 -45.7521 11.0937 -13.2564 TIMING: 2019000 CPU: 6382.06, 0.00314942/step Wall: 6382.06, 0.00314942/step, 2.60789 hours remaining, 235.066406 MB of memory in use. ENERGY: 2019000 3998.4699 20689.2174 14489.8553 245.5912 -203592.9472 2818.3505 0.0000 0.0000 52231.8391 -109119.6239 300.1771 -161351.4629 -108755.0895 299.2703 -21.0320 8.2659 761512.0094 -9.4811 -9.5084 PRESSURE: 2019200 -421.658 -50.8486 22.1546 -50.8489 -244.902 -18.5347 22.155 -18.5352 51.9399 GPRESSURE: 2019200 -322.376 -31.1936 -45.4516 9.62322 -213.978 -86.6576 148.043 -25.3639 11.4035 PRESSAVG: 2019200 -40.1825 -56.2631 -1.13638 -56.2631 8.29723 -33.8452 -1.13641 -33.8451 -20.787 GPRESSAVG: 2019200 -39.4034 -56.9019 0.0118749 -56.4203 7.89987 -33.364 -3.67481 -33.5648 -20.9392 TIMING: 2019200 CPU: 6382.69, 0.00315444/step Wall: 6382.69, 0.00315444/step, 2.61188 hours remaining, 235.066406 MB of memory in use. ENERGY: 2019200 3962.9108 20451.7259 14496.8024 229.4513 -203133.1800 2631.4452 0.0000 0.0000 52213.2667 -109147.5777 300.0704 -161360.8444 -108769.7994 299.9227 -204.8736 -174.9835 763362.8648 -17.5574 -17.4809 PRESSURE: 2019400 141.762 127.434 42.9545 127.434 161.77 -97.6028 42.9548 -97.6048 234.426 GPRESSURE: 2019400 196.089 91.9714 70.1765 132.729 164.829 -117.732 82.6929 -158.076 262.11 PRESSAVG: 2019400 -56.7281 15.5517 44.1156 15.5517 -18.9248 -39.1675 44.1156 -39.1675 -17.4366 GPRESSAVG: 2019400 -56.5636 15.9199 42.0015 14.301 -19.0389 -40.6879 46.4112 -37.4665 -17.7221 TIMING: 2019400 CPU: 6383.32, 0.00315454/step Wall: 6383.32, 0.00315454/step, 2.61178 hours remaining, 235.066406 MB of memory in use. ENERGY: 2019400 4037.7945 20678.2434 14504.1064 243.1063 -203082.4265 2641.0110 0.0000 0.0000 51905.0349 -109073.1299 298.2989 -160978.1649 -108707.8567 299.7381 179.3192 207.6759 762108.7136 -31.0298 -31.1082 PRESSURE: 2019600 -215.281 168.035 -180.585 168.035 -20.9437 -54.0555 -180.585 -54.055 -41.8319 GPRESSURE: 2019600 -159.882 180.029 -50.5376 156.617 22.7261 -61.8791 -154.431 -56.222 -47.8886 PRESSAVG: 2019600 19.3932 18.8429 -41.1439 18.8429 22.1596 -3.07718 -41.1438 -3.07717 6.17804 GPRESSAVG: 2019600 18.5747 21.1572 -40.348 18.5517 22.5598 -0.115661 -42.7412 -5.2342 6.62529 TIMING: 2019600 CPU: 6383.96, 0.00315549/step Wall: 6383.96, 0.00315549/step, 2.6124 hours remaining, 235.066406 MB of memory in use. ENERGY: 2019600 3993.4638 20571.3499 14454.9916 230.8889 -202931.5573 2391.8969 0.0000 0.0000 52119.7469 -109169.2192 299.5329 -161288.9662 -108805.1950 300.0628 -92.6857 -61.6816 763222.6920 15.9103 15.9199 PRESSURE: 2019800 -15.9223 62.1589 -174.701 62.1588 -102.954 -32.3633 -174.701 -32.3637 -112.128 GPRESSURE: 2019800 40.1122 140.736 -207.497 175.305 -45.3117 -100.461 -42.9616 -47.7056 -144.194 PRESSAVG: 2019800 52.2212 -14.001 -18.4491 -14.001 -34.0679 -32.5138 -18.4491 -32.5137 6.7274 GPRESSAVG: 2019800 52.4893 -13.3933 -18.4127 -14.3151 -33.9537 -34.7031 -16.119 -30.0407 6.22748 TIMING: 2019800 CPU: 6384.59, 0.00316023/step Wall: 6384.59, 0.00316023/step, 2.61615 hours remaining, 235.066406 MB of memory in use. ENERGY: 2019800 3999.1285 20484.1311 14475.3241 222.5363 -203632.2053 2924.3153 0.0000 0.0000 52404.4320 -109122.3380 301.1690 -161526.7700 -108760.6476 299.7177 -77.0015 -49.7978 762948.2712 8.2936 8.2544 PRESSURE: 2020000 549.293 49.0944 41.1822 49.0942 236.429 -268.335 41.1826 -268.336 115.359 GPRESSURE: 2020000 610.035 -18.7465 126.853 51.3812 239.808 -270.075 150.967 -158.207 128.717 PRESSAVG: 2020000 21.1896 -6.67383 65.5581 -6.67378 -35.4657 -51.3873 65.558 -51.3873 13.5899 GPRESSAVG: 2020000 20.9055 -8.16095 64.3601 -6.21272 -35.4746 -49.9608 65.9181 -53.4916 14.0352 TIMING: 2020000 CPU: 6385.22, 0.00314129/step Wall: 6385.22, 0.00314129/step, 2.60029 hours remaining, 235.066406 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: 2020000 3993.0340 20653.4674 14433.7087 251.0616 -203860.4638 3146.0539 0.0000 0.0000 52494.4518 -108888.6864 301.6863 -161383.1382 -108517.1260 299.5609 300.3603 326.1868 761782.7260 -0.2287 -0.1780 PRESSURE: 2020200 265.194 60.6248 -327.65 60.6245 -314.846 -173.779 -327.649 -173.78 -129.044 GPRESSURE: 2020200 265.192 6.73652 -288.163 -33.5563 -235.007 -130.51 -262.103 -151.732 -128.917 PRESSAVG: 2020200 67.1313 -10.7753 10.8867 -10.7753 -17.7823 8.71543 10.8867 8.71537 2.37476 GPRESSAVG: 2020200 66.4449 -11.5852 12.4611 -10.9817 -18.4689 8.72444 9.6094 9.72559 3.21938 TIMING: 2020200 CPU: 6385.85, 0.00317098/step Wall: 6385.85, 0.00317098/step, 2.62469 hours remaining, 235.066406 MB of memory in use. ENERGY: 2020200 4035.4320 20628.8023 14550.2162 237.7027 -203006.6162 2509.8453 0.0000 0.0000 52121.3567 -108923.2609 299.5422 -161044.6176 -108568.9178 300.3488 -59.5655 -32.9108 761854.6766 17.2413 17.0651 LDB: ============= START OF LOAD BALANCING ============== 6398.38 LDB: ============== END OF LOAD BALANCING =============== 6398.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6398.38 LDB: ============= START OF LOAD BALANCING ============== 6398.7 LDB: Largest compute 7057 load 0.031380 is 16.1% of average load 0.195403 LDB: Average compute 0.004395 is 2.2% of average load 0.195403 LDB: TIME 6398.7 LOAD: AVG 0.195403 MAX 0.215111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.285 MB LDB: TIME 6398.7 LOAD: AVG 0.195403 MAX 0.215111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: TIME 6398.7 LOAD: AVG 0.195403 MAX 0.215111 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.289 MB LDB: ============== END OF LOAD BALANCING =============== 6398.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6398.71 PRESSURE: 2020400 -101.988 -82.3192 76.3717 -82.3195 232.957 -112.245 76.371 -112.244 467.901 GPRESSURE: 2020400 -59.6925 11.9164 28.0301 -73.1215 271.213 -99.0746 10.7902 -107.301 464.954 PRESSAVG: 2020400 53.1725 55.9124 23.8971 55.9123 -35.0905 -2.03527 23.8971 -2.03527 18.184 GPRESSAVG: 2020400 53.3962 56.7641 21.4797 56.5752 -34.3173 -1.13213 24.4023 -2.55063 17.0563 TIMING: 2020400 CPU: 6386.49, 0.00321871/step Wall: 6386.49, 0.00321871/step, 2.66402 hours remaining, 235.199219 MB of memory in use. ENERGY: 2020400 4036.2121 20598.2142 14546.5172 234.3338 -203525.7143 2967.3115 0.0000 0.0000 52105.5728 -109037.5527 299.4514 -161143.1255 -108676.1209 300.0109 199.6234 225.4915 761365.9266 12.0886 12.0451 PRESSURE: 2020600 69.6092 49.4713 85.3067 49.4722 136.281 49.7709 85.3069 49.7707 224.907 GPRESSURE: 2020600 181.177 64.5483 128.812 12.6732 76.6243 36.8373 -25.9236 56.2776 243.336 PRESSAVG: 2020600 13.8382 -4.75804 -36.6378 -4.75803 -33.7662 -10.7805 -36.6379 -10.7805 -2.68815 GPRESSAVG: 2020600 13.0026 -5.54184 -34.3062 -4.38967 -34.0164 -11.6015 -37.9385 -13.6888 -1.75364 TIMING: 2020600 CPU: 6387.12, 0.00315198/step Wall: 6387.12, 0.00315198/step, 2.60861 hours remaining, 235.199219 MB of memory in use. ENERGY: 2020600 3881.5181 20631.1474 14539.0267 255.8032 -203557.8752 2945.3186 0.0000 0.0000 52337.5636 -108967.4978 300.7847 -161305.0614 -108594.1769 299.8659 143.5993 167.0459 762767.0022 -7.5387 -7.5891 PRESSURE: 2020800 81.7861 -146.285 78.2211 -146.286 175.957 -97.3481 78.2208 -97.3477 -111.159 GPRESSURE: 2020800 157.444 52.7525 -59.5074 -219.268 182.424 -96.3961 48.5559 -167.193 -93.9847 PRESSAVG: 2020800 40.5412 -2.25516 -59.0642 -2.25524 -15.9094 9.40039 -59.0642 9.40052 -1.93102 GPRESSAVG: 2020800 41.1822 -1.25382 -58.8197 -3.83252 -16.26 8.97272 -57.9516 11.6978 -2.41763 TIMING: 2020800 CPU: 6387.76, 0.00316008/step Wall: 6387.76, 0.00316008/step, 2.61515 hours remaining, 235.265625 MB of memory in use. ENERGY: 2020800 3999.0452 20557.9468 14499.8508 258.8959 -203265.2834 2705.5345 0.0000 0.0000 52315.1032 -108928.9070 300.6556 -161244.0102 -108566.2160 300.1335 48.8615 81.9610 762885.0047 7.5669 7.5015 PRESSURE: 2021000 -7.4988 -179.324 -128.046 -179.325 -32.9158 75.726 -128.046 75.7245 403.27 GPRESSURE: 2021000 33.5688 -266.144 -101.471 -288.882 31.0982 41.0068 -145.021 172.346 401.673 PRESSAVG: 2021000 -5.47401 -52.8458 0.705998 -52.8458 22.8064 28.1873 0.705921 28.1873 11.9134 GPRESSAVG: 2021000 -5.47798 -54.2704 -1.15789 -51.2677 22.8214 28.5818 0.688997 28.1759 12.1023 TIMING: 2021000 CPU: 6388.39, 0.00315333/step Wall: 6388.39, 0.00315333/step, 2.60938 hours remaining, 235.410156 MB of memory in use. ENERGY: 2021000 3998.0946 20638.9262 14466.8009 255.8676 -203498.0417 2609.0349 0.0000 0.0000 52546.3569 -108982.9607 301.9846 -161529.3176 -108629.9726 300.3048 120.9518 155.4467 762998.7180 9.7486 9.8153 PRESSURE: 2021200 -123.298 65.3171 -21.199 65.3167 -257.939 56.7316 -21.199 56.7318 -32.4434 GPRESSURE: 2021200 -220.552 77.9424 -65.7436 17.6953 -161.474 69.0709 -166.33 -28.0342 43.4812 PRESSAVG: 2021200 -18.441 -52.7328 -57.0017 -52.7327 11.8172 3.65872 -57.0017 3.65873 -14.0708 GPRESSAVG: 2021200 -18.2552 -52.9762 -57.5031 -50.8788 11.8455 3.95781 -58.3265 2.76327 -14.2048 TIMING: 2021200 CPU: 6389.02, 0.00317567/step Wall: 6389.02, 0.00317567/step, 2.62769 hours remaining, 235.410156 MB of memory in use. ENERGY: 2021200 4028.9478 20599.6417 14484.1970 230.2240 -203144.1609 2530.2415 0.0000 0.0000 52251.5058 -109019.4031 300.2901 -161270.9089 -108656.4543 299.7057 -137.8936 -112.8484 763557.5798 -6.8982 -6.8715 PRESSURE: 2021400 -1.60891 -59.5899 -49.2995 -59.5908 252.78 47.5207 -49.2989 47.5217 268.588 GPRESSURE: 2021400 46.3254 -95.7231 6.96456 20.8316 233.701 -26.8085 -66.2542 5.22706 311.678 PRESSAVG: 2021400 -13.3954 -60.6691 14.7133 -60.669 -1.36954 42.0095 14.7133 42.0095 -18.5074 GPRESSAVG: 2021400 -13.7515 -59.1008 16.7619 -63.7009 -1.63425 41.1039 16.7502 42.3323 -17.3647 TIMING: 2021400 CPU: 6389.65, 0.00316343/step Wall: 6389.65, 0.00316343/step, 2.61738 hours remaining, 235.410156 MB of memory in use. ENERGY: 2021400 4006.6072 20670.8555 14459.8144 237.3100 -203560.2182 2853.1047 0.0000 0.0000 52199.2021 -109133.3243 299.9895 -161332.5264 -108778.6869 299.6363 173.2531 197.2349 762701.9796 -11.0908 -10.9168 PRESSURE: 2021600 -202.821 -258.837 36.7978 -258.837 -58.6682 36.6567 36.7974 36.6569 -240.833 GPRESSURE: 2021600 -132.553 -233.17 -7.97451 -203.748 5.37625 67.9993 33.5302 94.4437 -287.418 PRESSAVG: 2021600 38.3722 -3.55109 -2.93666 -3.55111 -50.5576 34.3806 -2.93673 34.3806 -15.237 GPRESSAVG: 2021600 39.0115 -3.92251 -3.61308 -3.02065 -49.6057 35.2824 -3.8037 37.4495 -16.1693 TIMING: 2021600 CPU: 6390.28, 0.00315229/step Wall: 6390.28, 0.00315229/step, 2.60799 hours remaining, 235.410156 MB of memory in use. ENERGY: 2021600 4054.8145 20500.5401 14435.0471 235.9960 -203548.9697 2686.9263 0.0000 0.0000 52248.7146 -109386.9312 300.2741 -161635.6458 -109028.9084 299.1306 -167.4409 -138.1984 762441.8757 -9.1408 -8.9212 PRESSURE: 2021800 -265.589 -73.439 -192.167 -73.4389 -234.533 -75.9828 -192.167 -75.9842 -91.7976 GPRESSURE: 2021800 -170.596 -7.96247 -250.198 -74.068 -203.042 -188.642 -127.961 -37.5067 -126.632 PRESSAVG: 2021800 39.3594 -20.1435 -66.5395 -20.1435 -81.4788 -18.0476 -66.5395 -18.0477 10.5382 GPRESSAVG: 2021800 39.7647 -20.7192 -66.0074 -19.7292 -81.1648 -19.1746 -64.5956 -18.4595 10.2586 TIMING: 2021800 CPU: 6390.92, 0.00316496/step Wall: 6390.92, 0.00316496/step, 2.6183 hours remaining, 235.410156 MB of memory in use. ENERGY: 2021800 3957.5661 20502.5992 14419.7603 267.9221 -203178.9456 2532.8843 0.0000 0.0000 51946.4075 -109551.8061 298.5367 -161498.2137 -109188.4980 298.4024 -197.3063 -166.7566 763073.3593 -10.5271 -10.3805 PRESSURE: 2022000 364.044 -120.171 -166.798 -120.171 -308.075 -339.912 -166.799 -339.912 90.8854 GPRESSURE: 2022000 384.851 -40.8879 -138.602 -101.28 -191.367 -318.313 -187.337 -386.848 39.6917 PRESSAVG: 2022000 36.3897 0.602175 -78.0525 0.602194 -0.612169 -71.7376 -78.0525 -71.7376 -5.02571 GPRESSAVG: 2022000 36.4125 1.30117 -79.6003 2.59602 -1.33291 -71.3004 -81.083 -73.4732 -4.39589 TIMING: 2022000 CPU: 6391.55, 0.00315085/step Wall: 6391.55, 0.00315085/step, 2.60645 hours remaining, 235.410156 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: 2022000 3949.2942 20602.7169 14513.5896 246.0476 -203603.0855 2827.2468 0.0000 0.0000 51849.4558 -109614.7347 297.9795 -161464.1905 -109258.1404 298.3607 48.9516 77.7254 762921.5139 10.2506 10.2279 PRESSURE: 2022200 -4.71887 125.171 117.938 125.17 -154.625 -3.84319 117.938 -3.84243 -162.514 GPRESSURE: 2022200 -47.4348 105.771 118.873 130.699 -72.8001 -44.2615 201.901 -51.5821 -120.297 PRESSAVG: 2022200 40.6127 -10.454 -38.5541 -10.454 -64.4207 -49.4428 -38.5541 -49.4429 -25.7691 GPRESSAVG: 2022200 40.283 -11.0985 -38.8356 -11.4469 -64.4114 -52.0313 -36.9451 -47.8397 -25.8938 TIMING: 2022200 CPU: 6392.18, 0.00315235/step Wall: 6392.18, 0.00315235/step, 2.60752 hours remaining, 235.410156 MB of memory in use. ENERGY: 2022200 4019.6330 20499.9598 14454.0517 243.4453 -203531.7230 2806.1177 0.0000 0.0000 51916.9247 -109591.5908 298.3673 -161508.5155 -109235.1869 298.1478 -107.2862 -80.1773 762473.8342 -16.5257 -16.6740 PRESSURE: 2022400 -361.423 157.027 83.0769 157.027 -343.829 -171.356 83.0771 -171.356 -303.508 GPRESSURE: 2022400 -300.136 190.968 85.8432 239.148 -380.302 -153.11 64.7292 -179.441 -248.421 PRESSAVG: 2022400 73.2642 40.2855 -7.3965 40.2854 -58.1149 -48.2792 -7.39651 -48.2793 18.9452 GPRESSAVG: 2022400 72.379 41.0251 -6.20668 38.4315 -57.4556 -45.4267 -8.53054 -49.5123 19.0914 TIMING: 2022400 CPU: 6392.81, 0.00313777/step Wall: 6392.81, 0.00313777/step, 2.59528 hours remaining, 235.410156 MB of memory in use. ENERGY: 2022400 4003.2873 20473.3539 14439.8029 233.2288 -203549.0893 2612.6266 0.0000 0.0000 51889.2147 -109897.5751 298.2080 -161786.7898 -109531.4972 297.7052 -336.2532 -309.6198 761289.4002 11.3648 11.3383 PRESSURE: 2022600 -172.152 43.3112 -178.401 43.3117 -239.405 -272.534 -178.401 -272.533 16.4331 GPRESSURE: 2022600 -62.012 -21.9191 -193.914 35.3429 -251.319 -193.521 -158.871 -268.354 -19.1024 PRESSAVG: 2022600 35.0135 46.1816 -63.6643 46.1816 -10.0791 -33.7429 -63.6643 -33.743 13.6827 GPRESSAVG: 2022600 37.4392 45.5081 -64.1286 45.8613 -12.4175 -33.5177 -65.1641 -33.9349 13.6839 TIMING: 2022600 CPU: 6393.44, 0.00315879/step Wall: 6393.44, 0.00315879/step, 2.61249 hours remaining, 235.410156 MB of memory in use. ENERGY: 2022600 3989.3714 20523.5098 14438.1824 256.5902 -203478.2384 2516.5769 0.0000 0.0000 51959.5835 -109794.4242 298.6124 -161754.0076 -109433.2630 298.2985 -131.7083 -110.8112 760734.8689 12.8724 12.9019 PRESSURE: 2022800 17.4992 -61.2201 -137.571 -61.2209 -139.367 153.541 -137.571 153.54 -125.846 GPRESSURE: 2022800 45.7579 -8.7676 -120.634 -109.611 -219.659 139.98 -130.81 173.367 21.211 PRESSAVG: 2022800 30.1521 -23.3502 -4.90003 -23.3501 13.458 6.72478 -4.90004 6.72476 10.5411 GPRESSAVG: 2022800 30.1183 -23.4999 -3.38599 -21.5899 14.2725 6.21962 -3.82156 7.57971 10.6015 TIMING: 2022800 CPU: 6394.07, 0.00316129/step Wall: 6394.07, 0.00316129/step, 2.61439 hours remaining, 235.410156 MB of memory in use. ENERGY: 2022800 3940.0451 20455.3914 14508.0189 265.6736 -203555.1533 2796.3598 0.0000 0.0000 51976.8393 -109612.8252 298.7116 -161589.6645 -109249.4873 298.5249 -82.5713 -50.8967 761153.7338 18.0504 18.3308 PRESSURE: 2023000 -41.2415 -40.9464 -163.142 -40.9469 -299.22 -60.3492 -163.142 -60.3493 -365.434 GPRESSURE: 2023000 15.7236 83.3503 -180.041 -93.8774 -269.274 13.3383 -174.943 -84.841 -350.572 PRESSAVG: 2023000 59.6655 -4.30323 -45.7805 -4.30324 -72.8905 -50.5567 -45.7805 -50.5567 5.47037 GPRESSAVG: 2023000 59.8786 -4.68923 -45.4523 -3.70426 -71.3944 -51.183 -45.6765 -52.1289 4.41628 TIMING: 2023000 CPU: 6394.7, 0.00315869/step Wall: 6394.7, 0.00315869/step, 2.61206 hours remaining, 235.410156 MB of memory in use. ENERGY: 2023000 4033.5746 20332.1274 14471.1074 257.4661 -203519.9012 2787.8108 0.0000 0.0000 52085.6131 -109552.2017 299.3367 -161637.8148 -109197.6624 298.5163 -235.2985 -201.3740 762629.3176 -2.5849 -2.3665 PRESSURE: 2023200 -48.3363 130.59 -1.76751 130.59 -63.229 -135.079 -1.76714 -135.079 -139.264 GPRESSURE: 2023200 -50.5613 62.408 74.2385 187.132 -33.5169 -144.556 -169.415 14.9988 -78.2269 PRESSAVG: 2023200 14.2622 -11.5682 -45.9328 -11.5682 -4.05696 -54.7095 -45.9328 -54.7095 -16.9141 GPRESSAVG: 2023200 13.6297 -10.9032 -45.5088 -13.2941 -4.26293 -55.3019 -46.4651 -51.3723 -15.7752 TIMING: 2023200 CPU: 6395.33, 0.00315994/step Wall: 6395.33, 0.00315994/step, 2.61292 hours remaining, 235.410156 MB of memory in use. ENERGY: 2023200 4003.6838 20419.2808 14456.6319 235.7823 -203312.3654 2629.8038 0.0000 0.0000 52001.3105 -109565.8723 298.8522 -161567.1828 -109198.8565 298.6823 -83.6098 -54.1017 762844.1887 -2.2363 -2.1361 PRESSURE: 2023400 -106.908 52.076 45.1427 52.0758 -363.27 7.53486 45.1421 7.53486 76.7226 GPRESSURE: 2023400 -49.9825 42.746 16.047 -9.97964 -295.871 -92.0327 51.407 -92.6772 38.2279 PRESSAVG: 2023400 62.3709 -10.2055 -24.7921 -10.2056 -30.4234 -59.6223 -24.7921 -59.6223 -13.4654 GPRESSAVG: 2023400 61.5671 -10.7506 -27.4708 -11.1261 -29.9405 -59.8245 -25.7409 -60.2979 -12.7407 TIMING: 2023400 CPU: 6395.96, 0.00315018/step Wall: 6395.96, 0.00315018/step, 2.60467 hours remaining, 235.410156 MB of memory in use. ENERGY: 2023400 3983.6236 20425.1650 14502.5083 238.1904 -203145.6538 2520.4919 0.0000 0.0000 51773.7591 -109701.9155 297.5445 -161475.6746 -109345.7128 298.7563 -131.1516 -102.5420 762232.1566 6.1607 6.2953 PRESSURE: 2023600 199.337 -31.0949 -151.694 -31.0951 -249.36 -3.12547 -151.693 -3.12597 -20.2311 GPRESSURE: 2023600 192.694 -65.977 -120.637 25.6702 -202.816 -35.1472 -135.918 -88.1169 23.8948 PRESSAVG: 2023600 39.7255 12.2576 9.66503 12.2575 -43.6071 -24.7571 9.66501 -24.7571 22.3316 GPRESSAVG: 2023600 40.3335 14.0248 10.9435 13.7761 -43.9859 -25.0102 11.7289 -25.2584 22.0517 TIMING: 2023600 CPU: 6396.59, 0.00315071/step Wall: 6396.59, 0.00315071/step, 2.60494 hours remaining, 235.410156 MB of memory in use. ENERGY: 2023600 3991.9565 20427.3241 14494.1276 238.2521 -203643.2636 2929.5957 0.0000 0.0000 52001.3726 -109560.6350 298.8526 -161562.0076 -109195.4397 297.7425 -23.4180 4.5910 761589.4280 6.1500 6.1331 PRESSURE: 2023800 -166.245 -55.6195 -56.1485 -55.6193 -335.676 -35.0571 -56.1479 -35.0571 3.40147 GPRESSURE: 2023800 -196.532 -101.513 -7.7087 -120.989 -243.93 8.16879 -38.2016 -65.5055 15.1638 PRESSAVG: 2023800 8.68833 -13.5215 -50.9944 -13.5215 -62.3667 2.71584 -50.9944 2.71582 15.288 GPRESSAVG: 2023800 9.34104 -15.3356 -51.9801 -12.5967 -61.9022 2.11527 -50.2577 1.31146 14.6202 TIMING: 2023800 CPU: 6397.22, 0.00314853/step Wall: 6397.22, 0.00314853/step, 2.60296 hours remaining, 235.410156 MB of memory in use. ENERGY: 2023800 4022.4263 20571.7191 14429.5345 258.4009 -203237.0984 2513.3329 0.0000 0.0000 51949.8319 -109491.8527 298.5564 -161441.6847 -109131.9604 298.6673 -166.1729 -141.7662 762735.9904 -12.7968 -12.6470 PRESSURE: 2024000 76.1793 8.89963 41.2579 8.89919 -7.47038 -26.8499 41.2578 -26.85 -492.728 GPRESSURE: 2024000 155.435 -126.8 83.2899 64.2318 27.406 -41.3221 114.43 128.077 -524.39 PRESSAVG: 2024000 -2.70267 -38.0098 -17.6867 -38.0099 34.7057 15.4501 -17.6867 15.4501 40.8731 GPRESSAVG: 2024000 -2.32716 -38.3248 -15.6489 -39.3616 35.3054 17.1922 -21.9525 15.6567 40.2077 TIMING: 2024000 CPU: 6397.85, 0.00314907/step Wall: 6397.85, 0.00314907/step, 2.60323 hours remaining, 235.410156 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: 2024000 4053.9640 20591.8140 14534.2375 245.9690 -203454.9477 2868.3002 0.0000 0.0000 51901.4100 -109259.2530 298.2781 -161160.6630 -108911.9938 299.2884 -141.3399 -113.8496 762410.0862 24.2921 24.3953 PRESSURE: 2024200 -218.608 32.573 -71.2069 32.5717 -202.041 49.9413 -71.2065 49.9414 -524.382 GPRESSURE: 2024200 -221.895 103.063 -183.075 -3.34498 -184.429 61.5812 -35.8441 110.502 -451.88 PRESSAVG: 2024200 3.64707 -55.6444 -18.4704 -55.6444 31.662 30.7219 -18.4704 30.7219 -10.1166 GPRESSAVG: 2024200 2.47624 -53.4286 -21.5382 -57.6264 31.2327 30.9581 -16.5901 29.3785 -8.1768 TIMING: 2024200 CPU: 6398.49, 0.00315867/step Wall: 6398.49, 0.00315867/step, 2.61099 hours remaining, 235.410156 MB of memory in use. ENERGY: 2024200 4057.4795 20549.3808 14443.8729 244.8628 -202654.8857 2296.1719 0.0000 0.0000 51935.9318 -109127.1860 298.4765 -161063.1179 -108778.4090 299.3654 -315.0104 -286.0678 764269.4019 8.3975 8.5107 LDB: ============= START OF LOAD BALANCING ============== 6411.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6411.02 LDB: =============== DONE WITH MIGRATION ================ 6411.02 LDB: ============= START OF LOAD BALANCING ============== 6411.34 LDB: Largest compute 7057 load 0.029969 is 15.3% of average load 0.195634 LDB: Average compute 0.004373 is 2.2% of average load 0.195634 LDB: TIME 6411.34 LOAD: AVG 0.195634 MAX 0.214093 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 6411.34 LOAD: AVG 0.195634 MAX 0.214093 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 6411.34 LOAD: AVG 0.195634 MAX 0.214093 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 6411.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6411.35 PRESSURE: 2024400 -185.56 -191.892 59.364 -191.892 182.533 -47.1537 59.3646 -47.1537 -201.584 GPRESSURE: 2024400 -186.921 -81.449 49.6374 -109.006 246.362 -11.8063 21.8444 -42.1509 -172.704 PRESSAVG: 2024400 -41.426 -67.7365 -3.09818 -67.7365 42.6786 -19.3524 -3.09813 -19.3524 8.62241 GPRESSAVG: 2024400 -40.8081 -69.1156 -1.24278 -65.7109 42.3692 -18.9204 -3.04296 -18.4798 8.15969 TIMING: 2024400 CPU: 6399.13, 0.0032293/step Wall: 6399.13, 0.0032293/step, 2.6692 hours remaining, 235.394531 MB of memory in use. ENERGY: 2024400 3996.5186 20388.6433 14459.9707 211.2981 -203309.5364 2730.1763 0.0000 0.0000 52331.9160 -109191.0134 300.7522 -161522.9294 -108825.3974 299.5058 -68.2033 -37.7540 762326.8545 3.2917 3.2402 PRESSURE: 2024600 121.566 94.793 -214.033 94.7928 412.295 -82.0053 -214.032 -82.0045 -50.0657 GPRESSURE: 2024600 195.65 49.3284 -191.32 101.055 411.458 -64.1031 -256.67 -114.483 -52.0985 PRESSAVG: 2024600 -0.84628 -16.5494 -40.4869 -16.5495 49.6863 -9.41141 -40.4869 -9.41128 -9.34107 GPRESSAVG: 2024600 -0.342496 -16.6092 -41.6715 -15.855 49.0255 -10.8124 -41.1918 -8.62822 -9.16918 TIMING: 2024600 CPU: 6399.76, 0.00316235/step Wall: 6399.76, 0.00316235/step, 2.61368 hours remaining, 235.597656 MB of memory in use. ENERGY: 2024600 3962.2431 20504.3493 14522.2916 245.4432 -202712.2164 2412.5883 0.0000 0.0000 52060.2407 -109005.0602 299.1909 -161065.3008 -108651.5264 299.5204 161.2650 185.0031 763609.4336 13.1663 13.1713 PRESSURE: 2024800 -249.176 -157.939 87.3837 -157.94 367.051 -152.69 87.3837 -152.689 86.0047 GPRESSURE: 2024800 -207.511 -164.399 169.535 -223.695 472.858 -91.118 -32.0086 -109.485 40.081 PRESSAVG: 2024800 -50.4265 11.3588 -9.10867 11.3588 91.9029 9.36515 -9.10859 9.36517 19.2478 GPRESSAVG: 2024800 -51.6722 12.3992 -8.33521 7.86391 93.5535 9.95623 -9.40966 9.92566 19.0395 TIMING: 2024800 CPU: 6400.4, 0.00317118/step Wall: 6400.4, 0.00317118/step, 2.6208 hours remaining, 235.597656 MB of memory in use. ENERGY: 2024800 3988.9031 20467.1786 14562.0065 245.1747 -203248.2585 2857.1720 0.0000 0.0000 52033.1439 -109094.6796 299.0352 -161127.8235 -108734.3427 299.8687 67.9600 101.8090 763801.8223 20.2414 20.3070 PRESSURE: 2025000 103.447 55.5538 -289.601 55.5533 -271.046 -229.667 -289.601 -229.668 -49.8643 GPRESSURE: 2025000 114.177 108.249 -347.278 28.5567 -230.395 -253.361 -175.385 -254.57 -22.4514 PRESSAVG: 2025000 -67.1448 6.0577 -0.806565 6.0577 28.5376 2.43896 -0.806524 2.43888 -20.0224 GPRESSAVG: 2025000 -65.3845 5.64568 -0.595257 8.31839 27.659 1.42507 -0.502085 -0.912073 -20.245 TIMING: 2025000 CPU: 6401.03, 0.00315079/step Wall: 6401.03, 0.00315079/step, 2.60378 hours remaining, 235.597656 MB of memory in use. ENERGY: 2025000 4046.0105 20727.1086 14552.0458 265.0091 -203058.0289 2527.4038 0.0000 0.0000 52101.0492 -108839.4020 299.4254 -160940.4512 -108475.3004 299.6961 -72.4879 -46.2230 764769.3566 -19.5432 -19.3235 PRESSURE: 2025200 93.5682 -127.94 -32.064 -127.941 2.81702 153.308 -32.0641 153.308 -305.39 GPRESSURE: 2025200 204.387 -69.7449 -71.9748 -179.147 -63.3441 67.8749 -117.966 207.933 -278.515 PRESSAVG: 2025200 -42.0363 -26.5151 1.52259 -26.5151 17.4805 -2.5751 1.52258 -2.57503 -23.2998 GPRESSAVG: 2025200 -41.7732 -27.1405 0.631186 -25.4768 16.4624 -1.32267 -1.01417 1.68368 -22.2224 TIMING: 2025200 CPU: 6401.66, 0.00317624/step Wall: 6401.66, 0.00317624/step, 2.62463 hours remaining, 235.597656 MB of memory in use. ENERGY: 2025200 3964.4294 20507.4785 14520.1874 237.2524 -202781.4958 2427.4255 0.0000 0.0000 52183.8598 -108940.8629 299.9014 -161124.7227 -108576.5725 299.6713 -69.6682 -45.8239 764880.8169 -15.9518 -15.8444 PRESSURE: 2025400 247.713 71.3319 -282.529 71.3327 82.9751 125.837 -282.529 125.837 257.731 GPRESSURE: 2025400 250.405 63.5699 -202.675 113.623 162.622 110.412 -221.343 178.617 263.555 PRESSAVG: 2025400 55.5856 51.0901 16.2735 51.0901 -12.7728 44.4449 16.2735 44.4449 37.5363 GPRESSAVG: 2025400 55.6084 49.781 18.2247 50.1026 -11.8625 42.8228 19.0318 43.1909 37.5016 TIMING: 2025400 CPU: 6402.3, 0.00317422/step Wall: 6402.3, 0.00317422/step, 2.62278 hours remaining, 235.800781 MB of memory in use. ENERGY: 2025400 3934.1826 20521.0308 14479.4820 258.9317 -203001.2640 2673.9297 0.0000 0.0000 52204.2940 -108929.4132 300.0188 -161133.7072 -108571.8464 299.9471 196.1395 225.5272 763175.0849 26.7830 27.0825 PRESSURE: 2025600 212.173 -122.416 -97.6672 -122.416 -21.7253 119.479 -97.6678 119.48 -133.512 GPRESSURE: 2025600 197.402 -186.693 -128.64 -78.988 48.8436 124.821 1.35063 110.414 -105.248 PRESSAVG: 2025600 -16.7207 -24.4483 -43.8561 -24.4484 25.496 -38.72 -43.8561 -38.7201 3.81398 GPRESSAVG: 2025600 -15.4283 -24.8566 -45.0027 -23.9653 24.855 -35.7264 -44.1292 -40.5408 3.54905 TIMING: 2025600 CPU: 6402.93, 0.00316461/step Wall: 6402.93, 0.00316461/step, 2.61467 hours remaining, 235.800781 MB of memory in use. ENERGY: 2025600 4034.4514 20559.3524 14588.9433 241.6960 -203319.0853 2661.1161 0.0000 0.0000 52130.7572 -109102.7689 299.5962 -161233.5261 -108743.5469 299.7227 18.9785 46.9995 762237.4212 4.1965 4.3252 PRESSURE: 2025800 -19.7173 41.4951 -40.7468 41.4956 -112.304 138.071 -40.7456 138.071 0.676704 GPRESSURE: 2025800 -34.0781 -11.6286 32.4236 -26.9415 -30.2875 212.272 -28.5853 103.426 31.6712 PRESSAVG: 2025800 14.9833 -52.9137 4.12279 -52.9137 0.765436 4.11197 4.12284 4.11196 11.9814 GPRESSAVG: 2025800 14.9262 -50.3793 2.7381 -54.8528 1.49698 3.19478 3.94474 4.13948 11.5077 TIMING: 2025800 CPU: 6403.57, 0.00318171/step Wall: 6403.57, 0.00318171/step, 2.62862 hours remaining, 235.800781 MB of memory in use. ENERGY: 2025800 3942.1578 20378.7527 14523.5137 236.5976 -203201.3284 2545.2098 0.0000 0.0000 52259.9498 -109315.1470 300.3386 -161575.0967 -108944.9566 299.2114 -43.7817 -10.8981 763449.2319 9.2434 9.3103 PRESSURE: 2026000 27.3568 -162.608 -192.354 -162.607 159.706 -398.747 -192.353 -398.747 247.792 GPRESSURE: 2026000 15.6134 -199.215 -124.45 -129.377 200.022 -405.817 -191.989 -434.278 303.162 PRESSAVG: 2026000 40.3074 -21.1275 -12.4597 -21.1275 -8.36489 11.7469 -12.4597 11.7468 -4.8188 GPRESSAVG: 2026000 39.8966 -23.5513 -11.4312 -19.2352 -8.34439 9.98435 -12.147 13.3077 -4.07683 TIMING: 2026000 CPU: 6404.2, 0.00317167/step Wall: 6404.2, 0.00317167/step, 2.62015 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: 2026000 4007.5519 20563.4369 14562.3418 247.3455 -203027.0447 2759.4992 0.0000 0.0000 51921.4025 -108965.4670 298.3930 -160886.8694 -108601.0172 299.1400 144.9515 172.9323 763633.3601 9.0413 9.1585 PRESSURE: 2026200 215.501 171.912 97.8543 171.912 96.5079 88.2428 97.8543 88.2425 261.013 GPRESSURE: 2026200 272.206 275.118 107.687 104.124 82.8241 -49.4133 100.032 128.883 294.093 PRESSAVG: 2026200 19.7536 -28.3128 22.7251 -28.3128 -36.7672 -23.7447 22.7252 -23.7448 -14.4713 GPRESSAVG: 2026200 21.2513 -25.7515 23.0527 -26.9115 -37.7531 -23.1085 23.2573 -24.9963 -15.1712 TIMING: 2026200 CPU: 6404.83, 0.00315745/step Wall: 6404.83, 0.00315745/step, 2.60823 hours remaining, 235.800781 MB of memory in use. ENERGY: 2026200 3960.4772 20648.5587 14534.9710 239.2046 -203173.1455 2834.3793 0.0000 0.0000 51960.0537 -108995.5010 298.6151 -160955.5547 -108632.3679 299.2001 191.0073 216.3742 762542.1146 -10.4950 -10.5577 PRESSURE: 2026400 -35.0301 54.156 -87.9605 54.1559 123.807 52.9433 -87.9599 52.9424 81.1567 GPRESSURE: 2026400 3.83363 -9.67152 -109.401 -48.0078 140.725 35.1038 -120.853 50.1643 116.985 PRESSAVG: 2026400 74.6715 -10.1802 -0.278671 -10.1802 -42.1475 -6.83447 -0.278626 -6.83444 -22.9337 GPRESSAVG: 2026400 74.4798 -11.1784 -0.349632 -12.6865 -41.6222 -5.88514 -0.672214 -6.87943 -22.7178 TIMING: 2026400 CPU: 6405.47, 0.0031593/step Wall: 6405.47, 0.0031593/step, 2.60958 hours remaining, 235.800781 MB of memory in use. ENERGY: 2026400 3826.5973 20426.4255 14455.0152 241.4206 -202713.0995 2479.5548 0.0000 0.0000 52002.2038 -109281.8823 298.8574 -161284.0862 -108913.9674 298.9924 56.6445 87.1813 761993.4477 3.1967 3.3799 PRESSURE: 2026600 -88.136 -12.5648 162.885 -12.5648 274.229 -115.268 162.885 -115.267 106.583 GPRESSURE: 2026600 -184.338 -163.155 138.392 10.7426 346.707 -99.8964 162.371 -182.904 216.009 PRESSAVG: 2026600 55.7671 -3.03244 30.5968 -3.03243 -13.6608 -8.72685 30.5968 -8.72687 -13.3036 GPRESSAVG: 2026600 55.5514 -1.70306 31.045 -2.15625 -14.4171 -10.3119 31.5434 -9.17829 -12.5132 TIMING: 2026600 CPU: 6406.1, 0.00317772/step Wall: 6406.1, 0.00317772/step, 2.62462 hours remaining, 235.800781 MB of memory in use. ENERGY: 2026600 3873.5818 20487.3343 14483.5880 257.1356 -202874.3435 2584.2050 0.0000 0.0000 52162.1462 -109026.3526 299.7766 -161188.4988 -108661.6061 299.3879 97.5589 126.1261 762393.2746 9.6009 9.5404 PRESSURE: 2026800 38.7366 -134.485 -103.659 -134.484 -104.101 -286.234 -103.66 -286.234 231.965 GPRESSURE: 2026800 43.2591 -215.575 -35.696 -231.939 -104.081 -319.624 -39.6004 -127.039 315.022 PRESSAVG: 2026800 21.729 31.5123 30.428 31.5124 -28.0759 -16.5202 30.428 -16.5202 11.2933 GPRESSAVG: 2026800 19.5365 30.3697 29.4512 29.1783 -25.5129 -15.5273 29.8988 -16.2764 10.9612 TIMING: 2026800 CPU: 6406.73, 0.00316604/step Wall: 6406.73, 0.00316604/step, 2.6148 hours remaining, 235.800781 MB of memory in use. ENERGY: 2026800 4010.5001 20406.7749 14520.5048 262.9696 -202908.3766 2660.0115 0.0000 0.0000 51977.6196 -109069.9961 298.7161 -161047.6157 -108712.3416 299.2303 55.5337 84.7333 762708.5674 1.6488 1.6616 PRESSURE: 2027000 336.121 237.165 33.0601 237.164 57.5826 267.54 33.0596 267.54 -172.244 GPRESSURE: 2027000 329.712 214.812 58.0666 280.865 110.817 228.612 20.4276 377.096 -130.76 PRESSAVG: 2027000 14.7829 -2.78552 -4.90129 -2.78553 -8.11767 15.8613 -4.90128 15.8613 -18.7169 GPRESSAVG: 2027000 15.0247 -1.8201 -4.26286 -1.23892 -8.24088 16.4582 -5.01772 17.3168 -18.5977 TIMING: 2027000 CPU: 6407.37, 0.00316571/step Wall: 6407.37, 0.00316571/step, 2.61435 hours remaining, 235.800781 MB of memory in use. ENERGY: 2027000 3986.4508 20517.4775 14466.9852 256.4253 -203029.4421 2804.6640 0.0000 0.0000 52163.4727 -108833.9665 299.7842 -160997.4392 -108483.7494 299.3815 73.8199 103.2565 761335.0928 -4.0172 -3.9380 PRESSURE: 2027200 -108.536 61.6441 36.309 61.6434 139.083 166.039 36.3096 166.039 -66.659 GPRESSURE: 2027200 -36.8582 -51.5168 60.0444 38.4731 153.579 156.927 -4.49969 165.329 -57.7442 PRESSAVG: 2027200 10.362 -2.31456 36.0663 -2.31455 -5.52699 32.3739 36.0663 32.3739 20.1317 GPRESSAVG: 2027200 11.4437 -3.64501 36.4702 -2.17032 -7.79229 32.3838 34.8076 30.3073 21.4352 TIMING: 2027200 CPU: 6408, 0.00314747/step Wall: 6408, 0.00314747/step, 2.59911 hours remaining, 235.800781 MB of memory in use. ENERGY: 2027200 3994.7268 20469.4769 14553.8706 219.2815 -202697.0347 2344.8296 0.0000 0.0000 52186.6880 -108928.1612 299.9176 -161114.8492 -108569.6766 299.8493 -12.0372 19.6587 763051.0852 8.3222 8.3622 PRESSURE: 2027400 -99.349 -133.895 -74.084 -133.896 -106.243 76.5633 -74.0853 76.5641 -17.5218 GPRESSURE: 2027400 -64.4694 -183.606 -82.0988 -92.8088 -90.9517 -9.89977 18.5248 116.85 8.02161 PRESSAVG: 2027400 -9.67665 -74.0949 3.49188 -74.095 4.50326 35.6882 3.49193 35.6882 -22.0561 GPRESSAVG: 2027400 -8.07377 -72.5657 1.96906 -74.4947 3.78353 36.7791 5.22702 36.8231 -22.4931 TIMING: 2027400 CPU: 6408.63, 0.0031559/step Wall: 6408.63, 0.0031559/step, 2.6059 hours remaining, 235.867188 MB of memory in use. ENERGY: 2027400 3979.7769 20419.3158 14556.5987 246.4175 -203083.4289 2692.7301 0.0000 0.0000 51919.3977 -109269.1922 298.3815 -161188.5899 -108906.1124 298.9671 -74.3713 -49.1331 764290.8254 -9.0765 -8.9278 PRESSURE: 2027600 49.8476 -131.303 -77.207 -131.302 -35.1587 106.116 -77.2065 106.115 179.602 GPRESSURE: 2027600 174.311 -75.4085 -134.167 -132.079 -88.9147 138.72 -80.7202 68.556 193.266 PRESSAVG: 2027600 -30.5377 -18.6477 3.50527 -18.6477 26.7696 21.2987 3.50531 21.2988 0.498972 GPRESSAVG: 2027600 -31.4149 -19.7125 3.93846 -19.9627 28.9677 18.9216 1.81332 20.4813 -0.414161 TIMING: 2027600 CPU: 6409.26, 0.00314605/step Wall: 6409.26, 0.00314605/step, 2.59759 hours remaining, 235.867188 MB of memory in use. ENERGY: 2027600 3913.9147 20370.1171 14579.0673 262.6405 -203921.4239 3151.2081 0.0000 0.0000 52184.5833 -109459.8929 299.9055 -161644.4762 -109095.9360 298.5172 64.7635 92.8876 763153.2807 -1.0897 -0.9538 PRESSURE: 2027800 158.228 -28.9751 67.3672 -28.9749 134.935 -83.5056 67.367 -83.5058 130.07 GPRESSURE: 2027800 61.713 -24.517 103.831 -30.6168 242.019 -12.5844 2.5904 -48.4698 191.134 PRESSAVG: 2027800 -9.14187 -35.3152 -11.0393 -35.3153 -31.1192 2.62639 -11.0393 2.62643 -10.7899 GPRESSAVG: 2027800 -9.27626 -35.0092 -11.5951 -33.1331 -31.042 4.54119 -11.1282 3.0674 -10.7097 TIMING: 2027800 CPU: 6409.89, 0.00315488/step Wall: 6409.89, 0.00315488/step, 2.60471 hours remaining, 235.867188 MB of memory in use. ENERGY: 2027800 3926.7996 20452.2135 14538.2757 247.3800 -203623.1216 3034.2317 0.0000 0.0000 51995.0749 -109429.1463 298.8164 -161424.2212 -109070.2337 298.7965 141.0778 164.9554 761171.6973 -17.0170 -17.0093 PRESSURE: 2028000 -2.34727 29.2201 -29.4038 29.2203 -231.021 15.51 -29.403 15.509 -41.0918 GPRESSURE: 2028000 -61.9596 -45.4374 -5.90464 129.437 -135.428 -11.6828 18.2744 112.238 -0.649188 PRESSAVG: 2028000 -23.1821 -29.5713 18.1602 -29.5713 44.3003 6.55496 18.1602 6.55503 10.6404 GPRESSAVG: 2028000 -24.5096 -29.8515 19.2349 -28.5636 44.5243 6.10261 18.832 6.99239 11.4946 TIMING: 2028000 CPU: 6410.52, 0.003156/step Wall: 6410.52, 0.003156/step, 2.60546 hours remaining, 235.867188 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: 2028000 3940.5699 20549.7336 14543.6309 247.1705 -202938.9523 2406.5876 0.0000 0.0000 51861.7459 -109389.5139 298.0502 -161251.2598 -109026.7480 298.6335 -91.4865 -66.0121 763188.4605 10.5862 10.5031 PRESSURE: 2028200 -91.0989 14.6757 8.82439 14.6751 -11.8624 123.505 8.82428 123.504 -173.701 GPRESSURE: 2028200 -61.8595 -13.9161 51.4944 53.6656 93.6492 149.968 37.4033 38.4286 -217.987 PRESSAVG: 2028200 16.8422 -39.4805 -15.3932 -39.4805 1.23295 -21.7622 -15.3932 -21.7622 4.83199 GPRESSAVG: 2028200 17.8403 -39.9727 -15.3702 -39.825 1.68694 -21.7379 -14.7745 -21.3686 3.51989 TIMING: 2028200 CPU: 6411.15, 0.0031731/step Wall: 6411.15, 0.0031731/step, 2.6194 hours remaining, 235.867188 MB of memory in use. ENERGY: 2028200 4053.4358 20468.7158 14554.9159 244.8945 -203079.8617 2402.6867 0.0000 0.0000 52147.4623 -109207.7508 299.6922 -161355.2130 -108842.5013 299.1980 -92.2209 -62.0658 761646.6645 7.6357 7.6824 LDB: ============= START OF LOAD BALANCING ============== 6423.69 LDB: ============== END OF LOAD BALANCING =============== 6423.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6423.69 LDB: ============= START OF LOAD BALANCING ============== 6424.01 LDB: Largest compute 7031 load 0.029563 is 15.1% of average load 0.195405 LDB: Average compute 0.004381 is 2.2% of average load 0.195405 LDB: TIME 6424.01 LOAD: AVG 0.195405 MAX 0.211928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 6424.01 LOAD: AVG 0.195405 MAX 0.211928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 6424.01 LOAD: AVG 0.195405 MAX 0.211928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 6424.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6424.02 PRESSURE: 2028400 -180.431 47.9511 41.5059 47.9501 254.667 -31.686 41.5063 -31.6863 483.98 GPRESSURE: 2028400 -137.715 35.6671 -14.8998 24.8022 294.932 -35.3473 75.5255 -16.8304 469.878 PRESSAVG: 2028400 34.0264 2.77741 -4.90862 2.77735 -17.2742 -12.6419 -4.90854 -12.6418 -9.53383 GPRESSAVG: 2028400 33.7556 4.88686 -5.12192 0.214351 -17.2081 -13.0848 -6.92089 -11.2922 -8.846 TIMING: 2028400 CPU: 6411.8, 0.00324086/step Wall: 6411.8, 0.00324086/step, 2.67515 hours remaining, 236.992188 MB of memory in use. ENERGY: 2028400 3908.1964 20399.8126 14627.1800 256.6361 -203146.6576 2588.9973 0.0000 0.0000 51923.6561 -109442.1791 298.4060 -161365.8352 -109092.6021 298.8540 186.0720 209.0317 760045.8191 2.4061 2.5672 PRESSURE: 2028600 230.28 -185.697 66.8382 -185.696 -87.9287 -188.957 66.8381 -188.957 632.805 GPRESSURE: 2028600 267.405 -152.66 215.129 -183.684 -110.534 -109.355 26.9839 -284.906 703.65 PRESSAVG: 2028600 -60.9354 -60.1404 23.6917 -60.1405 62.4879 44.4401 23.6918 44.4401 11.5362 GPRESSAVG: 2028600 -60.0878 -60.0084 23.3728 -58.8678 61.5389 44.7024 24.9631 42.2297 11.8065 TIMING: 2028600 CPU: 6412.43, 0.0031502/step Wall: 6412.43, 0.0031502/step, 2.60014 hours remaining, 237.058594 MB of memory in use. ENERGY: 2028600 4026.0567 20738.4412 14556.7573 247.6066 -203253.9337 2775.1925 0.0000 0.0000 51591.9982 -109317.8812 296.4999 -160909.8794 -108973.7114 298.8920 258.3856 286.8405 759776.4973 4.3629 4.4192 PRESSURE: 2028800 169.808 -112.432 -15.207 -112.432 137.441 28.8008 -15.2064 28.8007 83.5427 GPRESSURE: 2028800 205.513 -189.668 40.8297 -176.711 226.637 25.4133 -88.7035 41.0557 38.9455 PRESSAVG: 2028800 -18.6891 -8.018 7.02781 -8.01794 16.2828 -26.658 7.02784 -26.658 -6.67054 GPRESSAVG: 2028800 -19.5884 -10.0411 7.3053 -8.68474 16.8383 -27.4291 6.46655 -25.2787 -6.76025 TIMING: 2028800 CPU: 6413.06, 0.0031577/step Wall: 6413.06, 0.0031577/step, 2.60615 hours remaining, 237.058594 MB of memory in use. ENERGY: 2028800 4046.2956 20508.1612 14528.0126 264.8224 -203433.9071 2986.6534 0.0000 0.0000 51873.0209 -109226.9410 298.1150 -161099.9619 -108873.8329 298.6943 130.2639 157.0321 762808.3759 -3.0256 -3.1701 PRESSURE: 2029000 129.874 114.355 128.522 114.355 -213.83 166.811 128.522 166.811 -0.759591 GPRESSURE: 2029000 28.6399 83.9007 152.013 133.32 -61.8016 105.569 105.185 148.92 25.6278 PRESSAVG: 2029000 -3.08834 -52.68 -26.4034 -52.6801 7.00672 16.08 -26.4034 16.08 22.0872 GPRESSAVG: 2029000 -3.30367 -52.1206 -25.6613 -51.3464 7.91318 17.0642 -26.7454 12.5033 20.8542 TIMING: 2029000 CPU: 6413.7, 0.00315931/step Wall: 6413.7, 0.00315931/step, 2.60731 hours remaining, 237.058594 MB of memory in use. ENERGY: 2029000 4020.5428 20619.6090 14505.4505 242.6325 -203449.0265 2679.2330 0.0000 0.0000 52027.0850 -109354.4736 299.0004 -161381.5587 -108994.7690 298.9077 -28.2383 -2.5113 759738.8961 8.6685 8.4879 PRESSURE: 2029200 444.12 -224.588 -200.458 -224.588 364.99 77.7709 -200.459 77.7715 523.534 GPRESSURE: 2029200 441.77 -83.911 -160.245 -20.0251 407.633 4.47009 -144.57 63.0104 562.273 PRESSAVG: 2029200 1.54907 -25.0065 21.3775 -25.0065 -17.5028 -59.2557 21.3775 -59.2558 -6.33254 GPRESSAVG: 2029200 1.73684 -23.7187 18.7415 -24.8233 -18.3555 -60.3888 23.7843 -56.2956 -5.56598 TIMING: 2029200 CPU: 6414.33, 0.00315811/step Wall: 6414.33, 0.00315811/step, 2.60614 hours remaining, 237.058594 MB of memory in use. ENERGY: 2029200 3940.5109 20486.2811 14486.2142 235.6172 -203215.8810 2791.1834 0.0000 0.0000 52002.4971 -109273.5771 298.8591 -161276.0742 -108921.6801 298.8717 444.2145 470.5587 762622.6187 -7.4287 -7.3949 PRESSURE: 2029400 -78.9797 -113.411 131.619 -113.411 145.945 31.755 131.619 31.7545 295.45 GPRESSURE: 2029400 -54.1595 2.7705 193.253 -195.891 193.465 -19.0807 73.086 120.208 314.032 PRESSAVG: 2029400 0.979116 -16.5322 -42.6635 -16.5322 1.27582 19.6538 -42.6635 19.6538 9.737 GPRESSAVG: 2029400 1.34131 -16.6972 -39.9198 -17.5472 2.71103 19.5476 -45.8304 20.1774 8.15388 TIMING: 2029400 CPU: 6414.96, 0.00316575/step Wall: 6414.96, 0.00316574/step, 2.61227 hours remaining, 237.058594 MB of memory in use. ENERGY: 2029400 3900.5543 20457.8238 14509.8059 247.7469 -203495.7396 2786.5173 0.0000 0.0000 52153.8133 -109439.4781 299.7287 -161593.2914 -109076.0719 298.9674 120.8049 151.1124 762004.6096 3.9973 4.0687 PRESSURE: 2029600 421.776 255.007 75.4403 255.008 155.578 16.678 75.4406 16.6784 -196.172 GPRESSURE: 2029600 396.821 189.105 80.669 207.689 238.736 -13.8044 49.4703 16.5062 -179.739 PRESSAVG: 2029600 -74.8046 -2.24843 51.5764 -2.24846 -15.0658 -20.9574 51.5764 -20.9574 -18.2312 GPRESSAVG: 2029600 -74.3774 -1.13125 49.2415 -5.16319 -16.2421 -19.9819 53.632 -21.3671 -17.6135 TIMING: 2029600 CPU: 6415.59, 0.00317518/step Wall: 6415.59, 0.00317518/step, 2.61987 hours remaining, 237.058594 MB of memory in use. ENERGY: 2029600 4015.1805 20340.3067 14529.7761 239.2424 -203125.2381 2858.2767 0.0000 0.0000 51600.5966 -109541.8592 296.5493 -161142.4558 -109180.3391 298.0351 127.0607 151.9392 764507.8599 -36.0339 -36.0777 PRESSURE: 2029800 319.856 7.22384 -140.62 7.22277 111.679 -52.1895 -140.62 -52.1894 384.849 GPRESSURE: 2029800 450.645 85.5468 -123.05 2.51914 80.2959 -63.2313 -83.3987 -61.0821 364.304 PRESSAVG: 2029800 -6.83925 -39.6884 26.1801 -39.6884 25.0401 -6.47358 26.1801 -6.47365 7.72825 GPRESSAVG: 2029800 -6.38238 -41.5629 28.996 -38.0312 24.4774 -5.75699 24.0202 -5.82726 7.72671 TIMING: 2029800 CPU: 6416.23, 0.00316398/step Wall: 6416.23, 0.00316398/step, 2.61046 hours remaining, 237.058594 MB of memory in use. ENERGY: 2029800 3941.5995 20483.8981 14503.6292 246.1062 -203516.6197 2827.7437 0.0000 0.0000 52048.3195 -109465.3235 299.1224 -161513.6430 -109099.3455 298.0310 272.1280 298.4153 761860.7158 8.6430 8.6072 PRESSURE: 2030000 -400.252 -72.2903 -105.785 -72.2905 -68.4738 -41.0727 -105.786 -41.0713 -65.0484 GPRESSURE: 2030000 -299.601 -11.0864 -42.3193 -66.6239 -52.8764 -102.591 -121.785 -35.7401 -94.9706 PRESSAVG: 2030000 2.09691 -2.93361 20.6689 -2.93355 5.69179 -26.0451 20.6688 -26.0451 -24.2233 GPRESSAVG: 2030000 3.09977 -2.2343 18.8382 -1.77044 5.66971 -28.2216 21.5385 -27.4439 -25.4667 TIMING: 2030000 CPU: 6416.86, 0.00317796/step Wall: 6416.86, 0.00317796/step, 2.62182 hours remaining, 237.058594 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: 2030000 3936.6760 20506.7167 14496.7728 245.6198 -202917.2620 2243.0629 0.0000 0.0000 51785.5899 -109702.8238 297.6125 -161488.4137 -109337.3790 298.2876 -177.9247 -149.1495 763661.9245 -5.4782 -5.5657 PRESSURE: 2030200 141.739 -233.994 -107.532 -233.995 274.695 243.756 -107.532 243.755 -87.6681 GPRESSURE: 2030200 134.693 -224.841 -165.227 -22.3331 362.613 195.509 -88.3864 94.3837 -83.2629 PRESSAVG: 2030200 -2.57434 3.22593 6.84969 3.22595 26.5085 -44.4268 6.84966 -44.4268 12.1201 GPRESSAVG: 2030200 -4.02381 0.279806 5.14361 6.2054 26.8785 -42.8447 6.27119 -45.2909 13.1195 TIMING: 2030200 CPU: 6417.5, 0.00318662/step Wall: 6417.5, 0.00318662/step, 2.62878 hours remaining, 237.058594 MB of memory in use. ENERGY: 2030200 3978.7510 20496.9169 14489.1409 246.2242 -203570.7120 2835.9400 0.0000 0.0000 51893.7411 -109629.9979 298.2340 -161523.7390 -109278.1729 297.9235 109.5887 138.0143 761620.6218 12.0181 11.9914 PRESSURE: 2030400 -47.1805 -74.2394 -52.3571 -74.2393 229.738 -185.191 -52.3563 -185.191 303.543 GPRESSURE: 2030400 7.99234 -3.43778 34.4459 -26.9597 302.696 -219.598 16.3322 -280.52 239.532 PRESSAVG: 2030400 -9.28518 -2.92594 24.0253 -2.92598 1.51985 -15.0471 24.0253 -15.0472 8.07255 GPRESSAVG: 2030400 -10.0287 -0.346628 25.3639 -4.82517 2.7189 -14.0203 24.8192 -14.9228 7.16094 TIMING: 2030400 CPU: 6418.14, 0.00317681/step Wall: 6418.14, 0.00317681/step, 2.62051 hours remaining, 237.058594 MB of memory in use. ENERGY: 2030400 4040.6982 20540.7884 14521.6138 261.3097 -203695.3537 2950.1488 0.0000 0.0000 51709.0270 -109671.7679 297.1725 -161380.7949 -109321.3575 298.1768 162.0334 183.4066 762697.7583 0.1024 -0.0496 PRESSURE: 2030600 -164.235 31.2614 74.518 31.2619 -290.947 232.024 74.5179 232.023 -21.7368 GPRESSURE: 2030600 -99.4171 95.3215 136.911 107.263 -266.078 195.095 102.331 282.279 -28.5734 PRESSAVG: 2030600 -41.1479 -10.2255 41.7059 -10.2255 -3.29631 -6.21032 41.706 -6.21037 11.5185 GPRESSAVG: 2030600 -41.3474 -12.825 41.4853 -10.3915 -3.57298 -7.64192 40.6969 -3.02973 12.3974 TIMING: 2030600 CPU: 6418.77, 0.00317174/step Wall: 6418.77, 0.00317174/step, 2.61615 hours remaining, 237.058594 MB of memory in use. ENERGY: 2030600 3989.5957 20650.2976 14551.0487 239.3436 -203618.0165 2741.2613 0.0000 0.0000 51875.8564 -109570.6132 298.1313 -161446.4696 -109210.2232 298.4455 -158.9729 -131.3561 763595.2298 -10.9752 -10.8410 PRESSURE: 2030800 -371.862 99.297 64.592 99.2967 -28.0209 87.5535 64.5932 87.5522 -32.091 GPRESSURE: 2030800 -251.261 141.766 65.7267 104.668 -13.6356 122.653 -18.6794 -87.0572 -70.9995 PRESSAVG: 2030800 13.1159 -0.26848 26.756 -0.268515 3.9799 -34.3601 26.756 -34.3601 -18.6587 GPRESSAVG: 2030800 13.834 1.48053 26.6041 -0.488415 4.5764 -35.1238 29.443 -36.4159 -19.662 TIMING: 2030800 CPU: 6419.4, 0.0031729/step Wall: 6419.4, 0.0031729/step, 2.61694 hours remaining, 237.058594 MB of memory in use. ENERGY: 2030800 3942.0932 20517.0408 14542.7313 244.2033 -203179.2955 2504.0421 0.0000 0.0000 51830.7162 -109598.4687 297.8718 -161429.1849 -109252.5774 298.6103 -143.9914 -111.9653 762169.3108 -0.5210 -0.4172 PRESSURE: 2031000 -83.2099 -26.7939 206.972 -26.7945 -81.2252 109.89 206.972 109.89 -160.819 GPRESSURE: 2031000 -49.3589 -157.09 144.633 -46.4569 -4.02296 181.028 275.57 87.7128 -173.833 PRESSAVG: 2031000 0.678168 19.1907 -10.0416 19.1908 17.8139 -34.0851 -10.0416 -34.0852 -6.19609 GPRESSAVG: 2031000 0.476457 20.0056 -9.25641 18.0377 16.8117 -33.3614 -14.4069 -34.008 -4.90464 TIMING: 2031000 CPU: 6420.04, 0.0031691/step Wall: 6420.04, 0.0031691/step, 2.61363 hours remaining, 237.058594 MB of memory in use. ENERGY: 2031000 4029.3054 20600.0939 14570.9526 268.6186 -203352.3105 2464.6850 0.0000 0.0000 51844.7549 -109573.9002 297.9525 -161418.6551 -109217.4549 298.7231 -108.4180 -75.7382 761390.6226 4.0987 4.1278 PRESSURE: 2031200 -132.533 -94.3864 44.7799 -94.3868 147.949 -86.3516 44.7794 -86.3511 147.67 GPRESSURE: 2031200 -106.939 -131.108 102.533 -165.831 159.921 -94.617 85.4435 -48.8898 188.442 PRESSAVG: 2031200 -15.8703 18.5758 59.4182 18.5757 43.9194 14.6128 59.4181 14.6128 25.8374 GPRESSAVG: 2031200 -15.8017 16.3293 58.6971 19.7197 44.4001 14.7533 61.2813 16.0037 25.2238 TIMING: 2031200 CPU: 6420.67, 0.00317197/step Wall: 6420.67, 0.00317197/step, 2.61582 hours remaining, 237.058594 MB of memory in use. ENERGY: 2031200 3999.7410 20520.5553 14557.6019 235.2311 -203448.5404 2712.7694 0.0000 0.0000 51782.1289 -109640.5128 297.5926 -161422.6416 -109282.0963 298.3772 54.3619 80.4745 762653.8500 17.9622 17.9407 PRESSURE: 2031400 -93.3509 -230.076 -47.8646 -230.075 -178.725 -221.825 -47.8647 -221.824 41.2658 GPRESSURE: 2031400 -58.5346 -182.335 -45.5907 -207.593 -101.758 -160.787 28.7321 -254.502 -0.972238 PRESSAVG: 2031400 -25.7899 -23.8376 50.0531 -23.8376 29.5649 -14.0627 50.053 -14.0627 5.94412 GPRESSAVG: 2031400 -25.3859 -19.7671 49.5758 -25.5433 28.6072 -12.7476 49.785 -13.3309 6.72179 TIMING: 2031400 CPU: 6421.3, 0.003154/step Wall: 6421.3, 0.003154/step, 2.60083 hours remaining, 237.058594 MB of memory in use. ENERGY: 2031400 3995.0474 20413.3424 14560.9983 236.5430 -203446.6924 2587.1484 0.0000 0.0000 52103.0561 -109550.5568 299.4370 -161653.6129 -109185.3282 298.1267 -76.9368 -53.7550 762235.0754 3.2397 3.3143 PRESSURE: 2031600 -503.908 83.9492 48.379 83.9502 -261.252 83.9295 48.3782 83.9298 -436.309 GPRESSURE: 2031600 -435.526 152.136 19.241 78.5906 -338.842 11.8045 134.931 153.274 -328.327 PRESSAVG: 2031600 -24.5688 -69.0688 34.7623 -69.0688 -11.0303 5.49478 34.7623 5.49475 -5.30144 GPRESSAVG: 2031600 -24.9967 -70.9457 34.6551 -68.2644 -11.13 4.05486 34.8695 3.58039 -4.94315 TIMING: 2031600 CPU: 6421.93, 0.00314944/step Wall: 6421.93, 0.00314944/step, 2.59689 hours remaining, 237.058594 MB of memory in use. ENERGY: 2031600 3975.4630 20522.0661 14596.5451 237.5529 -202991.8913 2368.9128 0.0000 0.0000 51856.1549 -109435.1965 298.0180 -161291.3514 -109078.2311 298.7879 -400.4896 -367.5648 763571.2197 -13.6335 -13.6899 PRESSURE: 2031800 -488.335 -206.237 -116.266 -206.237 -177.815 -99.4337 -116.266 -99.4332 -486.761 GPRESSURE: 2031800 -269.536 -153.091 -108.468 -75.3965 -278.049 -17.6264 -16.8879 -45.4392 -520.816 PRESSAVG: 2031800 -36.6288 32.9054 1.45197 32.9054 12.41 29.1078 1.45191 29.1078 0.54287 GPRESSAVG: 2031800 -36.1392 31.5241 1.87528 33.4821 13.3535 29.0816 3.29889 27.5389 -1.06207 TIMING: 2031800 CPU: 6422.57, 0.003163/step Wall: 6422.57, 0.003163/step, 2.60789 hours remaining, 237.058594 MB of memory in use. ENERGY: 2031800 3923.6768 20465.3948 14528.7018 247.8252 -203049.6247 2406.7612 0.0000 0.0000 51976.0104 -109501.2546 298.7068 -161477.2650 -109135.2318 298.9447 -384.3037 -356.1336 762729.3078 -7.8920 -7.9493 PRESSURE: 2032000 -132.967 -136.738 -116.504 -136.738 60.3122 42.7352 -116.505 42.7357 -219.708 GPRESSURE: 2032000 -100.407 -212.75 -48.9788 -159.204 71.7952 101.364 -109.674 50.1918 -169.773 PRESSAVG: 2032000 35.7287 -48.6376 20.3639 -48.6377 -86.5407 -30.8888 20.3639 -30.8888 -13.684 GPRESSAVG: 2032000 33.9437 -48.6317 20.087 -49.7239 -87.6474 -30.7912 19.5208 -28.8463 -10.3287 TIMING: 2032000 CPU: 6423.2, 0.00316378/step Wall: 6423.2, 0.00316378/step, 2.60836 hours remaining, 237.058594 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: 2032000 3993.4775 20499.8726 14469.0245 258.1289 -203035.5626 2490.4434 0.0000 0.0000 51787.2634 -109537.3523 297.6221 -161324.6157 -109168.9388 298.8505 -97.4542 -66.1283 761440.4693 -21.4987 -21.3441 PRESSURE: 2032200 -1.46889 55.3372 56.1644 55.3368 -39.9766 -27.4495 56.1646 -27.4493 39.5386 GPRESSURE: 2032200 30.615 71.8373 62.9904 38.7093 -12.0864 -82.3536 17.2518 23.8985 59.8711 PRESSAVG: 2032200 1.72483 -18.6341 -29.8033 -18.634 -2.92215 13.6952 -29.8033 13.6952 20.2869 GPRESSAVG: 2032200 3.24844 -19.9603 -30.0605 -17.3303 -2.2646 15.0947 -31.1139 11.3547 18.0759 TIMING: 2032200 CPU: 6423.83, 0.00317197/step Wall: 6423.83, 0.00317197/step, 2.61494 hours remaining, 237.058594 MB of memory in use. ENERGY: 2032200 3955.1337 20596.0196 14478.5626 235.2775 -203461.2812 2888.8159 0.0000 0.0000 52002.9425 -109304.5295 298.8616 -161307.4720 -108957.2422 299.0594 -0.6356 26.1332 762151.3631 6.3632 6.3532 LDB: ============= START OF LOAD BALANCING ============== 6436.37 LDB: ============== END OF LOAD BALANCING =============== 6436.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6436.37 LDB: ============= START OF LOAD BALANCING ============== 6436.68 LDB: Largest compute 7031 load 0.030524 is 15.6% of average load 0.195496 LDB: Average compute 0.004390 is 2.2% of average load 0.195496 LDB: TIME 6436.69 LOAD: AVG 0.195496 MAX 0.213662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.668 MB LDB: TIME 6436.69 LOAD: AVG 0.195496 MAX 0.213662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.867 MB LDB: TIME 6436.69 LOAD: AVG 0.195496 MAX 0.213662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.867 MB LDB: ============== END OF LOAD BALANCING =============== 6436.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6436.69 PRESSURE: 2032400 168.353 44.2844 -201.76 44.2843 269.294 -90.9138 -201.759 -90.9149 201.708 GPRESSURE: 2032400 259.441 90.0586 -195.678 -32.7318 234.281 -20.3131 -336.148 -180.122 205.798 PRESSAVG: 2032400 -13.9141 1.49559 -35.1919 1.49558 18.396 -34.9087 -35.1918 -34.9087 13.8492 GPRESSAVG: 2032400 -14.4492 3.11763 -35.9993 0.378675 19.2974 -36.7758 -33.6089 -31.5635 13.8399 TIMING: 2032400 CPU: 6424.48, 0.00321715/step Wall: 6424.48, 0.00321715/step, 2.652 hours remaining, 236.445312 MB of memory in use. ENERGY: 2032400 4044.0271 20651.4336 14464.0963 239.3794 -203261.6549 2808.4480 0.0000 0.0000 51961.5315 -109092.7390 298.6236 -161054.2705 -108741.7710 299.3313 213.1185 233.1732 761139.5172 6.1104 6.2294 PRESSURE: 2032600 -73.9897 -216.068 15.872 -216.068 83.5812 -11.1776 15.8727 -11.1786 5.55376 GPRESSURE: 2032600 -34.4112 -144.666 107.822 -370.261 167.353 73.6607 67.3765 148.718 -38.4509 PRESSAVG: 2032600 4.9504 -46.9851 -21.2112 -46.9852 30.5155 -38.3872 -21.2112 -38.3872 5.70336 GPRESSAVG: 2032600 5.53158 -48.5927 -22.11 -47.3048 29.8478 -38.4123 -20.335 -38.7394 5.38633 TIMING: 2032600 CPU: 6425.11, 0.00314697/step Wall: 6425.11, 0.00314697/step, 2.59398 hours remaining, 236.445312 MB of memory in use. ENERGY: 2032600 3953.5048 20633.2199 14501.3124 261.5807 -203313.1849 2703.5257 0.0000 0.0000 52032.5408 -109227.5005 299.0317 -161260.0414 -108877.1669 299.4904 5.0484 31.4969 762009.9175 13.7231 13.5886 PRESSURE: 2032800 -188.773 10.116 230.955 10.1161 196.293 123.493 230.956 123.494 78.5424 GPRESSURE: 2032800 -174.046 123.474 241.326 -83.1837 217.101 168.792 276.346 56.3293 123.248 PRESSAVG: 2032800 -10.5044 -17.6484 -11.518 -17.6484 20.3793 -32.6346 -11.5179 -32.6347 -0.951993 GPRESSAVG: 2032800 -10.7579 -14.7577 -9.62343 -17.8751 21.0648 -32.1137 -13.7196 -32.1056 -0.81093 TIMING: 2032800 CPU: 6425.73, 0.00314066/step Wall: 6425.73, 0.00314066/step, 2.5886 hours remaining, 236.515625 MB of memory in use. ENERGY: 2032800 3970.5430 20523.5155 14568.6562 248.8502 -203498.7241 2735.0062 0.0000 0.0000 52388.7898 -109063.3631 301.0791 -161452.1529 -108686.9320 299.7021 28.6874 55.4344 760655.1864 2.9743 3.1653 PRESSURE: 2033000 -237.329 -111.531 -235.497 -111.531 64.9336 3.61254 -235.496 3.61197 -168.352 GPRESSURE: 2033000 -136.125 -200.328 -237.203 -119.55 89.0658 -106.404 -237.066 72.7357 -221.4 PRESSAVG: 2033000 -12.7767 46.5068 -7.11985 46.5069 -17.407 -17.6211 -7.1199 -17.6211 -6.91917 GPRESSAVG: 2033000 -13.7035 45.7186 -7.65933 47.5484 -17.4515 -17.8482 -9.11184 -18.513 -6.39965 TIMING: 2033000 CPU: 6426.36, 0.00315152/step Wall: 6426.36, 0.00315152/step, 2.59738 hours remaining, 236.515625 MB of memory in use. ENERGY: 2033000 4075.9611 20535.6085 14517.6376 243.6876 -203149.6218 2830.9621 0.0000 0.0000 52146.1297 -108799.6352 299.6845 -160945.7649 -108438.4883 300.1814 -113.5825 -89.4864 762059.1208 -12.3676 -12.5182 PRESSURE: 2033200 -219.348 26.482 113 26.4814 -59.529 5.36283 112.999 5.36297 337.169 GPRESSURE: 2033200 -195.915 -15.2018 96.2701 87.9685 60.1485 33.5597 81.3044 1.88654 265.494 PRESSAVG: 2033200 -1.37356 -44.2024 -7.45646 -44.2024 -25.3083 17.723 -7.45654 17.7231 24.3831 GPRESSAVG: 2033200 -1.44627 -44.5161 -6.82508 -46.201 -25.7855 17.8749 -5.46867 17.7301 24.2836 TIMING: 2033200 CPU: 6426.99, 0.00314515/step Wall: 6426.99, 0.00314515/step, 2.59195 hours remaining, 236.515625 MB of memory in use. ENERGY: 2033200 4050.5532 20665.6541 14524.3003 233.0668 -202843.1671 2161.8016 0.0000 0.0000 52220.5463 -108987.2449 300.1122 -161207.7912 -108618.9167 300.1177 19.4307 43.2425 761966.0798 -0.7663 -0.9827 PRESSURE: 2033400 -171.406 -66.6215 171.353 -66.6211 -66.0879 134.198 171.353 134.198 -18.5257 GPRESSURE: 2033400 -130.773 -45.0035 176.159 -70.1051 -80.3708 124.241 146.15 94.2498 56.5808 PRESSAVG: 2033400 2.29403 -8.7138 39.1793 -8.71383 -48.8816 4.50685 39.1793 4.50683 12.246 GPRESSAVG: 2033400 1.59348 -10.1344 38.3853 -7.79166 -49.1713 5.05935 39.6888 3.6687 12.5938 TIMING: 2033400 CPU: 6427.62, 0.00314334/step Wall: 6427.62, 0.00314334/step, 2.59029 hours remaining, 236.515625 MB of memory in use. ENERGY: 2033400 3959.7875 20595.5728 14485.7526 236.6103 -202680.3855 2436.1480 0.0000 0.0000 52029.0895 -108937.4248 299.0119 -160966.5143 -108566.4743 299.7988 -85.3400 -51.5211 763684.4391 -11.4472 -11.6614 PRESSURE: 2033600 -154.497 -368.748 -260.644 -368.747 -152.565 44.4142 -260.644 44.4132 -193.634 GPRESSURE: 2033600 -15.894 -370.46 -230.505 -315.104 -176.932 28.0752 -174.397 -68.4264 -218.654 PRESSAVG: 2033600 32.5774 -70.973 -49.2774 -70.973 -33.7784 -49.481 -49.2775 -49.4809 7.30083 GPRESSAVG: 2033600 33.3344 -69.3124 -48.8239 -69.3869 -34.4828 -50.5365 -50.4121 -49.2247 7.36657 TIMING: 2033600 CPU: 6428.25, 0.00315053/step Wall: 6428.25, 0.00315053/step, 2.59604 hours remaining, 236.515625 MB of memory in use. ENERGY: 2033600 3947.0008 20545.8857 14579.8784 252.4063 -202933.6795 2337.3550 0.0000 0.0000 52354.0857 -108917.0677 300.8796 -161271.1534 -108555.4796 300.2177 -166.8986 -137.1600 760847.8911 2.0333 2.0727 PRESSURE: 2033800 44.9788 -29.8777 35.6924 -29.8771 21.8644 -217.05 35.6923 -217.05 193.197 GPRESSURE: 2033800 62.9661 -71.2137 -22.4969 -9.76099 121.459 -194.752 28.4246 -316.322 164.058 PRESSAVG: 2033800 -63.6103 -48.2166 -22.5621 -48.2166 4.73624 -35.5021 -22.5621 -35.5021 3.99718 GPRESSAVG: 2033800 -64.6669 -48.167 -21.3394 -48.6897 5.92707 -33.6 -23.2474 -36.8842 3.37302 TIMING: 2033800 CPU: 6428.89, 0.00316695/step Wall: 6428.89, 0.00316695/step, 2.60939 hours remaining, 236.515625 MB of memory in use. ENERGY: 2033800 4068.9119 20563.8118 14541.4211 243.7849 -203106.6197 2680.1125 0.0000 0.0000 51935.3511 -109073.2264 298.4732 -161008.5775 -108718.7925 299.7804 86.6802 116.1612 761274.8429 -18.2923 -18.4556 PRESSURE: 2034000 185.542 -16.3619 -177.878 -16.3603 -257.085 137.918 -177.878 137.918 174.704 GPRESSURE: 2034000 237.75 23.4587 -157.014 -1.74513 -243.773 152.532 -161.866 67.5831 200.268 PRESSAVG: 2034000 22.3085 -44.8726 -43.4725 -44.8726 23.765 1.16001 -43.4725 1.15993 5.82692 GPRESSAVG: 2034000 21.8426 -42.8853 -44.1688 -45.8798 23.799 -0.0963236 -43.1666 0.836501 6.00342 TIMING: 2034000 CPU: 6429.52, 0.00314717/step Wall: 6429.52, 0.00314717/step, 2.59292 hours remaining, 236.515625 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: 2034000 4012.6280 20388.8699 14427.2089 243.5181 -202864.4182 2479.3404 0.0000 0.0000 51887.2229 -109425.6299 298.1966 -161312.8528 -109051.7660 299.1617 34.3867 64.7484 761851.7063 17.3001 17.2150 PRESSURE: 2034200 -344.638 174.197 -159.491 174.198 -350.343 9.58642 -159.491 9.58623 -96.4055 GPRESSURE: 2034200 -304.362 65.6245 -179.228 163.504 -243.239 8.14629 -196.262 16.1769 -140.921 PRESSAVG: 2034200 14.6504 -11.0844 20.4958 -11.0844 -10.2184 -17.7123 20.4958 -17.7124 12.144 GPRESSAVG: 2034200 14.6043 -13.1539 19.7083 -12.3086 -10.0143 -17.5208 22.1607 -12.6419 11.8183 TIMING: 2034200 CPU: 6430.14, 0.00314227/step Wall: 6430.14, 0.00314227/step, 2.5887 hours remaining, 236.515625 MB of memory in use. ENERGY: 2034200 3982.5611 20292.2244 14456.4332 242.0063 -203034.8263 2375.4987 0.0000 0.0000 52455.0608 -109231.0417 301.4600 -161686.1026 -108855.4719 298.8831 -263.7953 -229.5073 763088.2010 5.5253 5.4694 PRESSURE: 2034400 -36.8462 -39.2128 207.919 -39.2133 -5.74002 171.277 207.92 171.278 -30.8255 GPRESSURE: 2034400 -116.74 -90.3877 296.977 28.2679 44.6495 214.591 157.283 55.9988 91.6205 PRESSAVG: 2034400 -16.5149 -41.6355 22.2112 -41.6355 40.1093 48.475 22.2112 48.475 17.9044 GPRESSAVG: 2034400 -15.5714 -42.6866 22.8674 -41.3873 39.6573 49.157 20.6528 45.3772 17.481 TIMING: 2034400 CPU: 6430.78, 0.00316617/step Wall: 6430.78, 0.00316617/step, 2.60822 hours remaining, 236.515625 MB of memory in use. ENERGY: 2034400 3974.7698 20587.0415 14436.0434 264.8712 -202802.4888 2540.0969 0.0000 0.0000 51858.4449 -109141.2210 298.0312 -160999.6659 -108779.2838 299.2389 -24.4706 6.5100 763886.3600 13.8329 13.8557 PRESSURE: 2034600 165.73 -62.2587 -44.6874 -62.2597 -14.0272 259.59 -44.6873 259.591 57.9088 GPRESSURE: 2034600 139.928 -51.768 -82.1337 49.903 123.516 216.727 46.0815 234.302 15.713 PRESSAVG: 2034600 8.24008 -32.9076 31.6469 -32.9077 3.84187 -14.065 31.6468 -14.065 6.31048 GPRESSAVG: 2034600 7.65902 -31.8848 32.1118 -33.5614 3.29672 -14.7161 31.0936 -13.3387 6.96967 TIMING: 2034600 CPU: 6431.41, 0.00315746/step Wall: 6431.41, 0.00315746/step, 2.60087 hours remaining, 236.515625 MB of memory in use. ENERGY: 2034600 3993.8172 20603.6527 14512.3569 256.0257 -203468.6397 2909.9483 0.0000 0.0000 52103.0780 -109089.7607 299.4371 -161192.8387 -108738.4725 299.1213 69.8705 93.0521 764196.4413 6.1308 5.9751 PRESSURE: 2034800 163.697 -65.6559 150.756 -65.6558 -13.5322 91.15 150.756 91.1504 199.203 GPRESSURE: 2034800 156.454 -140.649 109.201 39.0235 135.272 36.6159 87.2839 88.7436 142.024 PRESSAVG: 2034800 -10.5181 42.1 58.7274 42.0999 34.8392 -8.01489 58.7273 -8.01481 -6.10237 GPRESSAVG: 2034800 -10.8362 42.4827 59.3674 43.4621 36.7043 -9.15083 57.29 -8.88192 -7.95848 TIMING: 2034800 CPU: 6432.04, 0.00315952/step Wall: 6432.04, 0.00315952/step, 2.60239 hours remaining, 236.718750 MB of memory in use. ENERGY: 2034800 3978.8646 20487.7347 14473.1695 253.6529 -203363.0305 2784.0551 0.0000 0.0000 51985.5939 -109399.9598 298.7619 -161385.5538 -109036.1636 299.3748 116.4559 144.5832 762807.2820 6.0729 5.9699 PRESSURE: 2035000 -382.679 -81.335 -94.683 -81.3341 247.996 -244.533 -94.6824 -244.535 21.6492 GPRESSURE: 2035000 -277.342 -16.987 -194.665 -137.675 200.275 -276.444 20.3856 -267.524 46.5456 PRESSAVG: 2035000 -1.54672 -41.8503 36.0824 -41.8503 -16.7803 -24.6844 36.0824 -24.6845 -3.2913 GPRESSAVG: 2035000 -1.84838 -39.4528 34.2841 -42.6211 -18.7396 -25.6609 39.6824 -24.192 -0.821307 TIMING: 2035000 CPU: 6432.67, 0.00313493/step Wall: 6432.67, 0.00313493/step, 2.58197 hours remaining, 236.718750 MB of memory in use. ENERGY: 2035000 3934.9317 20420.6159 14525.9537 240.2824 -203368.7005 2804.9365 0.0000 0.0000 51988.0188 -109453.9616 298.7759 -161441.9804 -109094.7557 298.7668 -37.6781 -10.1737 763994.1644 -7.2061 -7.1364 PRESSURE: 2035200 71.9877 -0.254271 -144.288 -0.254563 71.4398 218.143 -144.289 218.142 198.852 GPRESSURE: 2035200 110.935 -77.0004 -81.1106 -41.9613 71.757 164.349 -205.89 150.031 242.167 PRESSAVG: 2035200 -72.793 -56.6256 10.145 -56.6256 52.1533 -74.9869 10.145 -74.9868 23.2718 GPRESSAVG: 2035200 -71.8509 -59.3986 11.0231 -58.6765 52.7141 -73.837 8.31063 -73.971 22.1947 TIMING: 2035200 CPU: 6433.3, 0.00314857/step Wall: 6433.3, 0.00314857/step, 2.59302 hours remaining, 236.718750 MB of memory in use. ENERGY: 2035200 3961.4898 20567.8416 14548.6272 246.9298 -203169.5026 2553.5193 0.0000 0.0000 52063.0451 -109228.0498 299.2070 -161291.0950 -108876.8758 298.8288 114.0931 141.6196 764396.1252 0.8774 1.0193 PRESSURE: 2035400 322.245 105.756 51.9205 105.757 96.6212 10.2917 51.9214 10.2919 225.297 GPRESSURE: 2035400 323.431 89.4094 -18.1357 151.301 162.069 45.0102 15.1046 -59.1994 247.877 PRESSAVG: 2035400 7.04971 -57.1959 23.1559 -57.196 12.9656 -19.6788 23.156 -19.6788 8.30744 GPRESSAVG: 2035400 6.55961 -59.2495 22.9505 -53.2415 12.8632 -18.8897 22.0163 -20.7516 8.85098 TIMING: 2035400 CPU: 6433.93, 0.00313978/step Wall: 6433.93, 0.00313978/step, 2.58561 hours remaining, 236.718750 MB of memory in use. ENERGY: 2035400 4039.9449 20364.0288 14548.0963 242.8876 -203557.5585 2897.1841 0.0000 0.0000 52049.7713 -109415.6456 299.1308 -161465.4169 -109057.5944 299.3611 214.7209 244.4588 763232.5922 9.4409 9.4246 PRESSURE: 2035600 -85.7092 78.8781 12.1417 78.8781 -43.945 50.2726 12.1417 50.2717 401.293 GPRESSURE: 2035600 1.63398 44.7356 -58.7488 28.6229 23.811 62.5649 119.074 78.0122 318.77 PRESSAVG: 2035600 -7.60579 2.89989 29.4576 2.89995 34.3206 30.8311 29.4576 30.8312 22.3196 GPRESSAVG: 2035600 -7.0756 5.74249 29.5375 -0.564737 34.3536 31.4018 29.194 30.7678 21.9834 TIMING: 2035600 CPU: 6434.55, 0.00314033/step Wall: 6434.55, 0.00314033/step, 2.58588 hours remaining, 236.718750 MB of memory in use. ENERGY: 2035600 3926.6438 20384.5176 14491.8586 240.8011 -203028.6226 2623.3217 0.0000 0.0000 52072.0469 -109289.4329 299.2588 -161361.4798 -108932.5271 298.9104 90.5463 114.7383 762574.7493 16.3448 16.4205 PRESSURE: 2035800 200.393 -223.245 185.999 -223.245 313.093 -163.245 185.999 -163.246 314.538 GPRESSURE: 2035800 194.206 -150.976 43.2716 -305.899 380.763 -192.787 232.654 -186.259 343.798 PRESSAVG: 2035800 -91.1384 -39.9331 40.5155 -39.9331 44.6959 -17.2275 40.5155 -17.2275 18.346 GPRESSAVG: 2035800 -89.8351 -41.182 39.5757 -38.7221 44.3902 -17.0798 42.4356 -16.8213 18.2305 TIMING: 2035800 CPU: 6435.18, 0.00313868/step Wall: 6435.18, 0.00313868/step, 2.58435 hours remaining, 236.718750 MB of memory in use. ENERGY: 2035800 3977.2057 20461.1004 14541.4699 259.0455 -203384.0804 2934.0683 0.0000 0.0000 52252.8452 -108958.3454 300.2978 -161211.1906 -108599.2006 299.4492 276.0081 306.2558 762509.3574 -9.3655 -9.0715 PRESSURE: 2036000 -140.334 55.9386 9.00979 55.9378 -438.971 -187.474 9.01019 -187.475 135.095 GPRESSURE: 2036000 -67.9179 109.011 79.2812 147.777 -448.214 -302.085 -10.576 -111.344 152.336 PRESSAVG: 2036000 11.2658 -40.0587 -12.8987 -40.0587 1.88872 -13.1028 -12.8988 -13.1028 5.51427 GPRESSAVG: 2036000 11.3218 -38.2812 -12.8222 -39.9715 2.37591 -12.9193 -12.8226 -14.4957 5.25381 TIMING: 2036000 CPU: 6435.81, 0.00315285/step Wall: 6435.81, 0.00315285/step, 2.59585 hours remaining, 236.718750 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: 2036000 3948.9099 20611.2039 14602.2043 262.2376 -203338.4785 2806.1064 0.0000 0.0000 52015.4554 -109092.3610 298.9335 -161107.8164 -108727.5796 299.4009 -148.0703 -121.2655 762057.9397 6.2229 6.3172 PRESSURE: 2036200 -232.779 -11.3325 -186.899 -11.3329 407.151 -70.3779 -186.899 -70.3782 357.74 GPRESSURE: 2036200 -139.124 -78.5224 -185.037 -98.0537 389.249 4.30921 -209.978 -132.396 369.293 PRESSAVG: 2036200 0.127149 -0.435955 26.2829 -0.436005 -35.4388 -34.0378 26.283 -34.0378 -20.7086 GPRESSAVG: 2036200 0.070981 -1.0876 26.9971 -0.353683 -37.0225 -35.2235 25.7656 -33.7775 -19.1783 TIMING: 2036200 CPU: 6436.44, 0.00313548/step Wall: 6436.44, 0.00313548/step, 2.58137 hours remaining, 236.718750 MB of memory in use. ENERGY: 2036200 4011.7557 20575.1720 14517.8378 279.1188 -203323.2912 2835.9033 0.0000 0.0000 52227.7639 -108875.7398 300.1537 -161103.5036 -108519.6272 299.4036 177.3708 206.4726 762770.5976 -18.6734 -18.7100 LDB: ============= START OF LOAD BALANCING ============== 6448.97 LDB: ============== END OF LOAD BALANCING =============== 6448.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6448.97 LDB: ============= START OF LOAD BALANCING ============== 6449.29 LDB: Largest compute 7060 load 0.031756 is 16.2% of average load 0.195613 LDB: Average compute 0.004402 is 2.3% of average load 0.195613 LDB: TIME 6449.29 LOAD: AVG 0.195613 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.848 MB LDB: TIME 6449.29 LOAD: AVG 0.195613 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: TIME 6449.29 LOAD: AVG 0.195613 MAX 0.213348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.848 MB LDB: ============== END OF LOAD BALANCING =============== 6449.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6449.3 PRESSURE: 2036400 -338.641 -26.9662 -172.577 -26.9668 -283.266 171.56 -172.577 171.56 -18.1214 GPRESSURE: 2036400 -341.961 0.0241812 -231.622 -38.1477 -214.75 135.758 -140.478 196.925 -8.90386 PRESSAVG: 2036400 53.9929 -2.77862 23.6684 -2.77866 -13.2402 32.1244 23.6684 32.1244 -21.4578 GPRESSAVG: 2036400 52.2193 -2.25021 24.304 -1.90424 -12.1511 31.5327 23.0817 33.9104 -21.2952 TIMING: 2036400 CPU: 6437.08, 0.00321247/step Wall: 6437.08, 0.00321247/step, 2.64457 hours remaining, 236.898438 MB of memory in use. ENERGY: 2036400 3979.1312 20537.9367 14525.8137 248.9072 -203109.1417 2485.4338 0.0000 0.0000 52173.4170 -109158.5020 299.8413 -161331.9190 -108793.3383 299.6068 -213.3431 -188.5384 762758.8139 6.4317 6.2577 PRESSURE: 2036600 -237.028 205.88 -281.462 205.88 -90.436 -141.106 -281.461 -141.106 -193.99 GPRESSURE: 2036600 -263.139 165.263 -237.037 262.428 -4.79314 -32.1793 -156.089 -94.3821 -203.593 PRESSAVG: 2036600 51.4828 -63.7256 24.1629 -63.7256 -61.7382 1.21366 24.163 1.21362 -1.8463 GPRESSAVG: 2036600 51.7134 -62.3549 23.4913 -61.597 -61.0579 1.36283 24.9632 1.86653 -2.77559 TIMING: 2036600 CPU: 6437.71, 0.00313727/step Wall: 6437.71, 0.00313727/step, 2.5825 hours remaining, 236.968750 MB of memory in use. ENERGY: 2036600 4032.0798 20658.4002 14533.6747 227.1555 -202760.4826 2520.7723 0.0000 0.0000 51669.4602 -109118.9400 296.9451 -160788.4002 -108759.7317 299.3433 -173.8181 -157.1752 765329.9236 -4.0339 -4.0401 PRESSURE: 2036800 -264.221 271.538 -97.0794 271.538 -106.589 -195.838 -97.0797 -195.839 53.1146 GPRESSURE: 2036800 -23.5254 257.388 -170.622 272.382 -172.611 -140.127 9.89658 -149.601 -18.8066 PRESSAVG: 2036800 29.7371 -0.0963162 -24.3122 -0.0963129 -51.7155 -37.7668 -24.3122 -37.7669 -22.6102 GPRESSAVG: 2036800 29.3982 -1.37215 -24.204 -1.65138 -51.3799 -38.637 -23.2526 -39.096 -22.5202 TIMING: 2036800 CPU: 6438.34, 0.00314359/step Wall: 6438.34, 0.00314359/step, 2.58752 hours remaining, 236.968750 MB of memory in use. ENERGY: 2036800 4062.9741 20403.5963 14555.7255 251.4320 -203246.5386 2505.6915 0.0000 0.0000 52012.1658 -109454.9534 298.9146 -161467.1192 -109090.8061 298.7106 -105.8985 -71.6475 763208.4393 -14.8628 -14.8340 PRESSURE: 2037000 105.411 172.474 159.048 172.473 -88.0082 -47.3254 159.048 -47.3247 94.5086 GPRESSURE: 2037000 60.8245 251.879 206.552 6.00005 67.275 -23.5161 160.605 -9.7946 86.6636 PRESSAVG: 2037000 18.836 30.949 13.6842 30.949 -6.85031 -64.8484 13.6843 -64.8484 9.69516 GPRESSAVG: 2037000 19.4117 30.8674 14.3561 29.1804 -8.01328 -62.7181 12.1377 -62.4967 10.1504 TIMING: 2037000 CPU: 6438.97, 0.00316368/step Wall: 6438.97, 0.00316368/step, 2.60389 hours remaining, 236.968750 MB of memory in use. ENERGY: 2037000 3987.7576 20474.9195 14499.8559 229.4116 -203236.7491 2886.8849 0.0000 0.0000 51884.7275 -109273.1920 298.1822 -161157.9195 -108905.7394 298.7201 37.3038 71.5877 763085.3388 7.2269 7.1829 PRESSURE: 2037200 -87.2128 90.8897 -162.312 90.8903 -105.518 -151.424 -162.313 -151.423 -307.149 GPRESSURE: 2037200 -53.6508 143.682 -198.73 210.656 -103.595 -156.141 -207.171 -143.696 -270.408 PRESSAVG: 2037200 24.3004 19.8571 17.4047 19.8571 -23.9851 9.33264 17.4046 9.33261 -8.14167 GPRESSAVG: 2037200 24.5038 19.1155 18.1564 22.6358 -24.9655 8.49196 17.8155 7.60927 -7.37655 TIMING: 2037200 CPU: 6439.6, 0.00314117/step Wall: 6439.6, 0.00314117/step, 2.58519 hours remaining, 236.968750 MB of memory in use. ENERGY: 2037200 3970.8417 20531.4785 14514.2699 245.7119 -203568.7933 2927.5077 0.0000 0.0000 52062.4803 -109316.5034 299.2038 -161378.9837 -108944.3646 299.3982 -166.6266 -142.5514 763931.6223 -2.6088 -2.6128 PRESSURE: 2037400 -149.694 -41.4667 -69.498 -41.4653 -111.617 -206.651 -69.4978 -206.651 84.0938 GPRESSURE: 2037400 -205.762 -55.5595 -143.61 -88.6591 32.4564 -180.04 70.3857 -203.417 79.4742 PRESSAVG: 2037400 -21.8496 10.485 4.04701 10.485 -32.7855 19.1689 4.047 19.1689 -11.928 GPRESSAVG: 2037400 -21.517 10.3005 3.53225 9.48235 -30.5007 20.0752 4.48606 20.0699 -14.1784 TIMING: 2037400 CPU: 6440.23, 0.00314013/step Wall: 6440.23, 0.00314013/step, 2.58415 hours remaining, 236.968750 MB of memory in use. ENERGY: 2037400 3895.8859 20574.7691 14536.7470 233.3988 -203491.4719 2797.8038 0.0000 0.0000 52145.8854 -109306.9818 299.6831 -161452.8672 -108947.8228 298.6955 -59.0725 -31.2773 763645.7413 -22.1877 -22.0654 PRESSURE: 2037600 -93.5067 -59.1925 165.855 -59.1927 63.8643 93.1769 165.854 93.1771 0.704378 GPRESSURE: 2037600 28.0565 -155.819 65.9701 -59.2127 16.3834 -7.80797 171.643 94.3744 13.2853 PRESSAVG: 2037600 18.8622 -27.3648 28.1183 -27.3649 -18.2319 -2.64425 28.1183 -2.64421 -7.17554 GPRESSAVG: 2037600 18.8511 -28.4184 27.6916 -27.9081 -19.0318 -2.87926 28.0373 -3.32206 -5.77724 TIMING: 2037600 CPU: 6440.86, 0.00315066/step Wall: 6440.86, 0.00315066/step, 2.59264 hours remaining, 236.968750 MB of memory in use. ENERGY: 2037600 3925.5848 20459.6714 14546.0032 241.4747 -203302.1936 2745.5122 0.0000 0.0000 52131.2415 -109252.7057 299.5990 -161383.9472 -108880.5973 298.5436 -9.6460 19.2417 762467.8957 -2.1817 -1.9860 PRESSURE: 2037800 -187.092 -223.545 34.9687 -223.544 225.247 -170.329 34.9685 -170.328 -14.16 GPRESSURE: 2037800 -21.8345 -249.125 38.0255 -124.215 209.838 -217.235 -36.1347 -94.3661 -64.0112 PRESSAVG: 2037800 26.5652 5.94975 43.5005 5.94972 -25.9092 14.8906 43.5005 14.8906 7.0622 GPRESSAVG: 2037800 27.298 6.64956 43.3705 6.78039 -26.8439 13.7135 44.7481 15.3094 7.58142 TIMING: 2037800 CPU: 6441.49, 0.00315375/step Wall: 6441.49, 0.00315375/step, 2.59501 hours remaining, 236.968750 MB of memory in use. ENERGY: 2037800 3945.8095 20317.7220 14569.9972 241.3257 -203091.5539 2534.0834 0.0000 0.0000 52043.0298 -109439.5865 299.0920 -161482.6163 -109075.9695 298.8893 7.9982 41.3309 762606.5493 2.5727 2.6785 PRESSURE: 2038000 89.8362 -90.0395 195.057 -90.0389 99.0702 -7.23056 195.056 -7.23187 -155.61 GPRESSURE: 2038000 143.463 -164.073 221.238 -62.6003 146.769 31.1105 22.7949 -158.438 -167.61 PRESSAVG: 2038000 12.0806 -44.5236 -22.7976 -44.5236 14.3554 16.968 -22.7975 16.968 -6.34977 GPRESSAVG: 2038000 12.4781 -47.6012 -23.7237 -41.9892 14.7004 18.174 -24.338 16.1731 -7.19562 TIMING: 2038000 CPU: 6442.12, 0.00314971/step Wall: 6442.12, 0.00314971/step, 2.59151 hours remaining, 236.968750 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: 2038000 3926.0076 20384.1483 14594.8657 250.1522 -202863.6269 2362.9810 0.0000 0.0000 51831.9612 -109513.5107 297.8790 -161345.4719 -109159.6576 298.3113 11.0988 40.8740 762488.4021 6.6954 6.6610 PRESSURE: 2038200 -230.608 -103.577 88.1357 -103.577 -258.687 -99.6603 88.1361 -99.6598 -18.0593 GPRESSURE: 2038200 -186.219 -100.079 129.218 -178.044 -251.145 -138.553 143.611 -55.6123 14.8301 PRESSAVG: 2038200 67.231 -47.2735 26.944 -47.2735 -76.3597 25.6491 26.944 25.6491 12.4463 GPRESSAVG: 2038200 65.7229 -43.8058 26.4482 -50.1546 -75.0848 26.188 29.2467 24.3121 12.5654 TIMING: 2038200 CPU: 6442.75, 0.00315734/step Wall: 6442.75, 0.00315734/step, 2.59761 hours remaining, 236.968750 MB of memory in use. ENERGY: 2038200 3949.0208 20288.9093 14487.8622 221.0648 -203214.9830 2662.5625 0.0000 0.0000 52205.6744 -109399.8890 300.0267 -161605.5634 -109028.2860 298.7165 -169.1180 -140.8445 763654.9297 1.1058 1.0678 PRESSURE: 2038400 177.424 -158.136 -56.8927 -158.136 -158.422 -173.262 -56.8933 -173.262 -99.0067 GPRESSURE: 2038400 201.277 -91.1383 -78.3606 -195.457 -88.3116 -149.562 -104.493 -119.278 -100.483 PRESSAVG: 2038400 64.063 -41.7151 25.7843 -41.7152 -61.4803 10.0928 25.7843 10.0929 -19.6422 GPRESSAVG: 2038400 64.407 -42.1691 26.1622 -41.9637 -62.4441 10.1382 22.8524 11.3881 -19.2235 TIMING: 2038400 CPU: 6443.38, 0.00315719/step Wall: 6443.38, 0.00315719/step, 2.59731 hours remaining, 236.968750 MB of memory in use. ENERGY: 2038400 3946.1873 20289.0442 14471.7865 231.0256 -202906.3613 2632.3913 0.0000 0.0000 51863.2249 -109472.7015 298.0587 -161335.9264 -109104.3376 298.5359 -26.6682 4.1607 763268.5070 -5.6865 -5.7535 PRESSURE: 2038600 -16.7562 -53.7383 -13.5842 -53.7375 -398.704 66.037 -13.5846 66.037 -395.316 GPRESSURE: 2038600 -32.6021 -105.317 -87.472 -80.5766 -307.538 15.8301 -107.921 -4.4831 -378.053 PRESSAVG: 2038600 -2.60208 -26.0788 -39.0042 -26.0788 -48.9143 -42.7193 -39.0042 -42.7192 -13.1759 GPRESSAVG: 2038600 -1.47051 -26.4672 -37.8441 -25.2676 -48.4246 -43.7237 -37.7018 -42.1256 -14.6745 TIMING: 2038600 CPU: 6444.01, 0.00316281/step Wall: 6444.01, 0.00316281/step, 2.60177 hours remaining, 236.968750 MB of memory in use. ENERGY: 2038600 3999.0666 20579.2696 14506.4519 224.1437 -203122.7243 2598.2108 0.0000 0.0000 51911.3297 -109304.2521 298.3351 -161215.5818 -108955.7494 298.2618 -270.2587 -239.3976 764116.9395 -21.5641 -21.5232 PRESSURE: 2038800 -256.558 -214.428 100.585 -214.428 -98.666 -41.7638 100.585 -41.7649 61.5864 GPRESSURE: 2038800 -252.192 -263.195 10.7109 -188.782 -76.282 23.9733 156.105 68.1346 99.8695 PRESSAVG: 2038800 44.3697 -27.4219 31.5101 -27.4219 -25.4416 -9.1117 31.5102 -9.11169 -1.45708 GPRESSAVG: 2038800 42.9286 -28.5446 31.2902 -27.5724 -24.0203 -8.92799 32.8234 -9.85304 -1.37006 TIMING: 2038800 CPU: 6444.64, 0.00314373/step Wall: 6444.64, 0.00314373/step, 2.58589 hours remaining, 236.968750 MB of memory in use. ENERGY: 2038800 3977.6246 20469.3707 14528.4377 241.5452 -202774.5852 2248.8235 0.0000 0.0000 51752.7122 -109556.0714 297.4235 -161308.7836 -109195.1718 298.5924 -97.8792 -76.2016 764556.9722 5.8237 5.8461 PRESSURE: 2039000 39.3858 -47.098 34.646 -47.0985 -71.9137 -129.2 34.6458 -129.201 -131.467 GPRESSURE: 2039000 -16.5131 45.8214 161.67 -81.2294 13.8561 -161.455 -80.5784 -107.494 -69.5052 PRESSAVG: 2039000 43.5508 -20.3445 -33.6098 -20.3445 -28.3909 -29.3945 -33.6098 -29.3945 26.8533 GPRESSAVG: 2039000 44.4767 -18.9492 -32.1996 -22.0911 -28.9603 -29.0798 -36.1152 -28.6672 26.1839 TIMING: 2039000 CPU: 6445.27, 0.00315296/step Wall: 6445.27, 0.00315296/step, 2.59331 hours remaining, 236.968750 MB of memory in use. ENERGY: 2039000 3939.1453 20622.7743 14413.2977 246.3179 -202866.4745 2366.4809 0.0000 0.0000 51897.0110 -109381.4473 298.2528 -161278.4583 -109015.4810 298.6600 -54.6649 -24.0541 764116.3267 14.0044 13.9001 PRESSURE: 2039200 265.491 56.4869 -100.133 56.487 -111.943 -122.373 -100.133 -122.373 39.4626 GPRESSURE: 2039200 367.894 42.2518 -75.7722 37.6193 -42.2715 -156.676 -176.084 -42.633 -62.3442 PRESSAVG: 2039200 -5.12141 -1.70387 -19.0713 -1.70384 -8.91879 -63.5511 -19.0713 -63.5511 -14.5046 GPRESSAVG: 2039200 -6.18435 -1.86081 -20.2988 -0.241448 -9.71865 -64.0145 -20.1782 -62.9117 -13.0235 TIMING: 2039200 CPU: 6445.91, 0.00317154/step Wall: 6445.91, 0.00317154/step, 2.60842 hours remaining, 236.968750 MB of memory in use. ENERGY: 2039200 3945.0153 20476.3810 14436.6110 253.6722 -203089.3263 2625.9895 0.0000 0.0000 51876.8674 -109474.7899 298.1371 -161351.6572 -109131.6359 298.5800 64.3369 87.7594 762612.2909 -9.5149 -9.6422 PRESSURE: 2039400 120.032 7.89006 55.086 7.89018 39.4926 -168.012 55.086 -168.013 -67.8361 GPRESSURE: 2039400 55.8429 101.576 -2.32713 -5.75067 141.944 -106.321 108.732 -218.43 -24.8479 PRESSAVG: 2039400 24.1397 14.8645 23.2535 14.8646 -15.6581 -53.6555 23.2536 -53.6555 -7.67418 GPRESSAVG: 2039400 23.2448 15.213 23.6093 15.7229 -13.8017 -52.3341 24.6206 -53.4222 -8.75483 TIMING: 2039400 CPU: 6446.54, 0.00315926/step Wall: 6446.54, 0.00315926/step, 2.59814 hours remaining, 236.968750 MB of memory in use. ENERGY: 2039400 3910.1839 20491.9803 14441.8600 256.0036 -203194.4439 2662.9654 0.0000 0.0000 52059.0916 -109372.3591 299.1843 -161431.4507 -109021.9469 298.8692 30.5629 57.6464 761370.6792 0.2692 0.2294 PRESSURE: 2039600 -45.1207 200.6 -16.9947 200.601 477.557 -15.3913 -16.9949 -15.3921 179.17 GPRESSURE: 2039600 84.6922 258.897 -20.635 215.844 348.21 40.1838 -23.3755 -97.2758 271.827 PRESSAVG: 2039600 66.5462 24.0055 -14.1312 24.0055 -16.6276 27.7402 -14.1312 27.7401 2.23807 GPRESSAVG: 2039600 68.9888 23.5616 -15.0756 24.1088 -19.243 25.4574 -14.4469 26.5488 2.35858 TIMING: 2039600 CPU: 6447.17, 0.00313772/step Wall: 6447.17, 0.00313772/step, 2.58025 hours remaining, 236.968750 MB of memory in use. ENERGY: 2039600 3880.1491 20573.6929 14467.9595 236.1750 -202948.2671 2554.0569 0.0000 0.0000 51848.9112 -109387.3226 297.9764 -161236.2338 -109031.8233 299.0812 203.8689 234.9098 762403.7812 17.3856 17.3681 PRESSURE: 2039800 -25.8761 -26.5243 -16.9364 -26.5241 -343.215 -167.388 -16.9366 -167.387 -343.795 GPRESSURE: 2039800 45.5157 10.8219 12.1785 -87.937 -319.418 -158.138 -1.36684 -125.612 -357.356 PRESSAVG: 2039800 -15.8586 -5.57529 -26.6437 -5.57524 -8.41721 -41.9131 -26.6437 -41.913 -21.7494 GPRESSAVG: 2039800 -16.4913 -5.67912 -25.8376 -6.15192 -7.85808 -41.4548 -27.878 -41.9681 -21.2054 TIMING: 2039800 CPU: 6447.79, 0.00314607/step Wall: 6447.79, 0.00314607/step, 2.58695 hours remaining, 236.968750 MB of memory in use. ENERGY: 2039800 4015.3458 20544.2253 14453.2447 245.0419 -203207.0342 2476.1495 0.0000 0.0000 52213.4941 -109259.5330 300.0717 -161473.0271 -108897.1432 298.7733 -237.6288 -210.4194 762312.1721 -15.3417 -15.1849 PRESSURE: 2040000 -193.481 125.653 27.6394 125.653 -82.0127 -156.849 27.6398 -156.849 146.003 GPRESSURE: 2040000 -152.858 188.694 50.5502 116.338 -98.6104 -146.575 -98.943 -152.699 192.256 PRESSAVG: 2040000 67.4947 24.775 -31.8079 24.775 -46.4694 -57.2445 -31.808 -57.2445 4.58026 GPRESSAVG: 2040000 68.1924 25.6364 -32.0661 23.7258 -47.6781 -56.1903 -30.7842 -56.6053 4.75661 TIMING: 2040000 CPU: 6448.42, 0.0031454/step Wall: 6448.42, 0.0031454/step, 2.58622 hours remaining, 236.968750 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: 2040000 3943.3993 20397.2716 14447.0818 235.0936 -203505.1738 2828.2045 0.0000 0.0000 52164.9189 -109489.2042 299.7925 -161654.1231 -109124.6514 299.3946 -43.1637 -19.7375 762036.5978 8.5352 8.4236 PRESSURE: 2040200 190.467 -117.952 -98.1915 -117.951 18.3321 55.3171 -98.1922 55.3171 101.799 GPRESSURE: 2040200 98.8222 -77.0894 -86.8897 -65.9788 138.79 46.676 -50.9955 -50.1524 149.075 PRESSAVG: 2040200 -17.4359 13.2863 15.118 13.2863 3.16841 12.9549 15.118 12.9549 9.42759 GPRESSAVG: 2040200 -18.9916 10.6842 15.9261 16.654 4.15031 11.4388 15.7661 12.854 10.1078 TIMING: 2040200 CPU: 6449.05, 0.00314454/step Wall: 6449.05, 0.00314454/step, 2.58533 hours remaining, 236.968750 MB of memory in use. ENERGY: 2040200 3950.2203 20414.9554 14427.5951 224.1833 -202831.9527 2464.5454 0.0000 0.0000 51770.4581 -109579.9951 297.5255 -161350.4532 -109216.1514 298.3003 103.5328 128.8958 761552.1220 -1.6133 -1.5778 LDB: ============= START OF LOAD BALANCING ============== 6461.58 LDB: ============== END OF LOAD BALANCING =============== 6461.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6461.58 LDB: ============= START OF LOAD BALANCING ============== 6461.9 LDB: Largest compute 7060 load 0.030687 is 15.7% of average load 0.195500 LDB: Average compute 0.004395 is 2.2% of average load 0.195500 LDB: TIME 6461.9 LOAD: AVG 0.1955 MAX 0.214467 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.211 MB LDB: TIME 6461.9 LOAD: AVG 0.1955 MAX 0.214467 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.414 MB LDB: TIME 6461.9 LOAD: AVG 0.1955 MAX 0.214467 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.414 MB LDB: ============== END OF LOAD BALANCING =============== 6461.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6461.91 PRESSURE: 2040400 255.284 62.5116 -72.0579 62.5115 9.71283 16.8862 -72.059 16.8868 123.72 GPRESSURE: 2040400 356.356 45.9799 -31.0277 131.659 15.9753 96.4684 -122.461 -27.5074 114.892 PRESSAVG: 2040400 62.0761 -15.0167 -30.5098 -15.0168 -3.78549 -25.1509 -30.5098 -25.151 -16.4309 GPRESSAVG: 2040400 62.0278 -12.7715 -31.5142 -16.8318 -3.13227 -24.4504 -31.0337 -24.881 -17.2601 TIMING: 2040400 CPU: 6449.69, 0.00320726/step Wall: 6449.69, 0.00320725/step, 2.63672 hours remaining, 234.441406 MB of memory in use. ENERGY: 2040400 3949.2047 20335.6464 14510.9376 243.9624 -203159.7093 2564.3176 0.0000 0.0000 51908.9126 -109646.7279 298.3212 -161555.6405 -109285.0057 298.0279 129.5721 162.4078 762773.8928 13.9533 13.8785 PRESSURE: 2040600 -410.575 -55.8933 105.294 -55.8926 -541.73 -70.6839 105.294 -70.6838 -228.078 GPRESSURE: 2040600 -346.72 -82.7372 74.2874 -10.9281 -538.871 -31.3429 90.9319 -31.7545 -185.879 PRESSAVG: 2040600 24.3593 -26.5801 -37.2096 -26.5801 -39.2821 5.09055 -37.2096 5.09056 -23.5176 GPRESSAVG: 2040600 25.668 -26.1843 -36.1166 -26.2824 -38.9496 6.3248 -36.073 3.78184 -25.1232 TIMING: 2040600 CPU: 6450.32, 0.00313428/step Wall: 6450.32, 0.00313428/step, 2.57655 hours remaining, 234.644531 MB of memory in use. ENERGY: 2040600 4034.7959 20379.3193 14461.9615 262.5392 -202779.7564 2462.3145 0.0000 0.0000 51589.9417 -109588.8843 296.4881 -161178.8260 -109240.1661 298.0223 -393.4614 -357.1569 763188.2780 -12.8135 -12.8016 PRESSURE: 2040800 494.322 78.4866 11.3579 78.487 169.403 -142.605 11.3578 -142.606 136.297 GPRESSURE: 2040800 407.729 29.4299 35.4935 -9.11546 325.704 -66.1439 14.8784 -185.195 144.253 PRESSAVG: 2040800 -26.7349 61.5708 -27.3635 61.5708 -9.49653 7.45723 -27.3636 7.45724 10.9133 GPRESSAVG: 2040800 -26.8344 61.8414 -29.3551 59.9552 -10.0507 8.20135 -26.2126 7.02731 11.9049 TIMING: 2040800 CPU: 6450.95, 0.00312592/step Wall: 6450.95, 0.00312592/step, 2.5695 hours remaining, 234.847656 MB of memory in use. ENERGY: 2040800 3905.6816 20425.3701 14451.8833 250.7808 -203758.2559 2976.7053 0.0000 0.0000 52079.6244 -109668.2104 299.3023 -161747.8347 -109310.5429 298.4484 266.6739 292.5618 761166.8168 -8.4394 -8.3267 PRESSURE: 2041000 45.2897 -207.817 438.774 -207.816 -610.98 -12.1332 438.773 -12.1347 79.466 GPRESSURE: 2041000 185.316 -173.763 284.452 -95.1358 -647.952 -27.7109 434.443 -63.7229 74.073 PRESSAVG: 2041000 49.4186 -25.7275 45.6598 -25.7275 1.46634 25.52 45.6599 25.52 14.1672 GPRESSAVG: 2041000 50.4722 -26.0606 45.8326 -25.6139 0.646953 23.7299 43.5422 25.5045 13.784 TIMING: 2041000 CPU: 6451.57, 0.0031389/step Wall: 6451.57, 0.0031389/step, 2.58 hours remaining, 234.847656 MB of memory in use. ENERGY: 2041000 3914.1336 20585.8737 14404.0991 234.0637 -203091.5218 2472.3675 0.0000 0.0000 51860.3714 -109620.6128 298.0423 -161480.9842 -109256.6764 298.4455 -162.0747 -129.5212 760457.9221 21.6840 21.6344 PRESSURE: 2041200 -85.5902 -125.285 -189.806 -125.285 -572.018 96.6097 -189.806 96.61 -550.619 GPRESSURE: 2041200 -115.937 -199.452 -229.471 -73.9458 -530.139 41.8839 -185.144 -8.28687 -478.88 PRESSAVG: 2041200 59.3001 -43.0266 53.6774 -43.0266 -27.4488 -7.98056 53.6774 -7.98066 7.06958 GPRESSAVG: 2041200 58.3536 -43.343 54.9562 -41.2894 -27.4426 -7.8583 53.8776 -5.23107 8.06703 TIMING: 2041200 CPU: 6452.2, 0.00313977/step Wall: 6452.2, 0.00313977/step, 2.58054 hours remaining, 234.847656 MB of memory in use. ENERGY: 2041200 4038.8681 20456.5499 14479.8101 245.9715 -203441.9561 2542.3088 0.0000 0.0000 52039.7016 -109638.7463 299.0729 -161678.4478 -109267.2841 298.6255 -402.7426 -374.9853 760760.3156 12.9736 12.9927 PRESSURE: 2041400 56.437 -125.169 -175.003 -125.17 -261.826 -150.948 -175.003 -150.948 52.6382 GPRESSURE: 2041400 125.904 -90.1078 -140.549 -186.51 -204.071 -110.3 -94.3409 -108.004 2.44615 PRESSAVG: 2041400 -4.60752 -19.5505 0.126114 -19.5506 -20.4546 12.0708 0.126103 12.0708 5.11123 GPRESSAVG: 2041400 -5.93118 -20.0102 1.30105 -21.1736 -18.954 11.4873 0.236125 11.8203 4.76578 TIMING: 2041400 CPU: 6452.83, 0.00314483/step Wall: 6452.83, 0.00314482/step, 2.58452 hours remaining, 234.847656 MB of memory in use. ENERGY: 2041400 4080.4393 20454.3466 14485.1811 228.0755 -203484.8642 2736.8858 0.0000 0.0000 51831.9675 -109667.9685 297.8790 -161499.9360 -109309.7765 298.9213 -50.9169 -25.2401 760666.4501 -6.6503 -6.7065 PRESSURE: 2041600 -286.831 231.002 321.328 231.002 -360.478 -35.3061 321.328 -35.3078 -221.645 GPRESSURE: 2041600 -257.982 184.45 327.123 226.459 -302.562 3.59157 347.584 -76.1224 -207.197 PRESSAVG: 2041600 45.1704 6.81417 -46.7158 6.81416 -31.2234 -65.4661 -46.7158 -65.4661 7.22151 GPRESSAVG: 2041600 47.0021 10.1666 -48.9392 4.37801 -32.1941 -65.1592 -45.6233 -66.5555 6.44724 TIMING: 2041600 CPU: 6453.46, 0.00315237/step Wall: 6453.46, 0.00315238/step, 2.59055 hours remaining, 234.847656 MB of memory in use. ENERGY: 2041600 3992.6598 20548.2418 14524.1976 257.4844 -203398.1507 2470.9455 0.0000 0.0000 51815.5349 -109789.0867 297.7846 -161604.6216 -109426.3629 298.0698 -289.6514 -255.9138 760891.9946 7.0562 7.0851 PRESSURE: 2041800 -5.40868 -193.82 116.355 -193.821 -47.1999 -54.8193 116.355 -54.8192 196.919 GPRESSURE: 2041800 -21.6401 -190.329 61.6719 -175.47 26.2853 -11.6518 -18.9943 -155.323 216.654 PRESSAVG: 2041800 32.5717 -29.5486 24.4523 -29.5486 -56.7675 -37.3468 24.4524 -37.3468 14.2889 GPRESSAVG: 2041800 30.0106 -31.8243 25.2412 -26.5386 -56.6351 -38.5889 23.8812 -35.4385 16.344 TIMING: 2041800 CPU: 6454.09, 0.00316574/step Wall: 6454.09, 0.00316574/step, 2.60136 hours remaining, 234.847656 MB of memory in use. ENERGY: 2041800 3898.6288 20455.3453 14431.5237 237.3705 -203329.7524 2589.3223 0.0000 0.0000 52164.2151 -109553.3467 299.7885 -161717.5618 -109178.8002 298.0136 48.1035 73.7665 761855.3789 -3.3023 -3.4268 PRESSURE: 2042000 66.2605 -50.5353 123.351 -50.5363 -223.743 -166.016 123.35 -166.016 -472.392 GPRESSURE: 2042000 128.731 12.9784 130.645 83.3391 -257.406 -174.906 108.029 -251.541 -423.43 PRESSAVG: 2042000 36.3726 -21.4278 8.56395 -21.4278 -71.5136 -26.128 8.5638 -26.1281 29.1266 GPRESSAVG: 2042000 37.3043 -21.9789 8.25447 -20.8769 -71.3291 -26.0998 8.69457 -29.3365 27.9339 TIMING: 2042000 CPU: 6454.73, 0.00316317/step Wall: 6454.73, 0.00316317/step, 2.59907 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: 2042000 4036.8418 20624.5891 14446.0280 213.2168 -203292.1741 2756.0469 0.0000 0.0000 51790.1107 -109425.3408 297.6385 -161215.4516 -109086.1094 298.3302 -209.9581 -184.0348 761402.4815 -2.0048 -2.0303 PRESSURE: 2042200 482.331 92.0511 -62.8368 92.0524 -103.47 2.47539 -62.8372 2.47591 -98.5403 GPRESSURE: 2042200 541.541 -23.996 -43.1583 15.7619 -84.9279 -32.7593 -124.381 -120.078 -91.2208 PRESSAVG: 2042200 44.3179 -2.76163 4.32435 -2.76163 -66.0346 -41.6303 4.3243 -41.6303 4.04223 GPRESSAVG: 2042200 46.7186 -2.97269 3.72876 -0.986644 -66.822 -40.5134 3.24248 -42.6155 2.80826 TIMING: 2042200 CPU: 6455.36, 0.00315144/step Wall: 6455.36, 0.00315144/step, 2.58925 hours remaining, 234.847656 MB of memory in use. ENERGY: 2042200 3882.5226 20456.9383 14512.1377 235.1491 -202800.0313 2344.5437 0.0000 0.0000 52073.6784 -109295.0614 299.2681 -161368.7398 -108928.0745 299.0105 93.4402 121.7975 763375.4864 -5.8915 -5.7651 PRESSURE: 2042400 19.9993 205.255 57.9672 205.256 204.39 -154.4 57.9678 -154.399 -90.4594 GPRESSURE: 2042400 50.5201 34.1122 -6.45288 215.831 222.262 -144.409 40.8106 -110.997 -65.0602 PRESSAVG: 2042400 73.88 49.5676 1.45614 49.5676 -57.9225 -8.48151 1.45619 -8.48153 10.611 GPRESSAVG: 2042400 73.3941 49.4819 1.695 47.4694 -57.8965 -8.25949 3.21889 -6.09294 11.0878 TIMING: 2042400 CPU: 6455.99, 0.00315887/step Wall: 6455.99, 0.00315887/step, 2.59518 hours remaining, 234.847656 MB of memory in use. ENERGY: 2042400 3981.9823 20460.2031 14443.4470 244.3419 -203784.1586 3029.9962 0.0000 0.0000 52269.1981 -109354.9900 300.3918 -161624.1882 -108981.4697 298.5100 44.6435 69.2407 763220.9575 8.8562 8.8618 PRESSURE: 2042600 25.3768 200.031 93.4125 200.031 1.54413 -91.3433 93.4119 -91.3424 -151.431 GPRESSURE: 2042600 38.1521 301.131 42.9157 144.268 20.8556 -142.244 223.732 -124.629 -98.1948 PRESSAVG: 2042600 42.7928 -7.81669 3.50228 -7.81668 19.6528 -0.746721 3.5023 -0.746677 13.3886 GPRESSAVG: 2042600 41.2862 -7.75653 4.72158 -6.6575 21.4119 -1.88317 3.22369 -2.02133 13.0218 TIMING: 2042600 CPU: 6456.62, 0.00316181/step Wall: 6456.62, 0.00316181/step, 2.59743 hours remaining, 235.050781 MB of memory in use. ENERGY: 2042600 3993.3195 20502.2742 14364.3252 256.4940 -203213.9006 2745.0308 0.0000 0.0000 51957.9091 -109394.5478 298.6028 -161352.4569 -109036.0019 298.7047 -41.5035 -13.0623 762513.2997 25.2781 25.2400 PRESSURE: 2042800 -101.688 59.3564 -171.052 59.3564 431.802 135.526 -171.052 135.525 27.0646 GPRESSURE: 2042800 -10.4401 125.172 -167.894 114.027 411.912 55.5158 6.65632 204.688 36.1437 PRESSAVG: 2042800 10.6428 89.8023 39.5286 89.8024 -4.85122 -31.8263 39.5285 -31.8263 14.9295 GPRESSAVG: 2042800 12.2556 91.2054 39.8638 90.1025 -6.67503 -30.8803 40.6123 -30.2928 15.6422 TIMING: 2042800 CPU: 6457.25, 0.00314092/step Wall: 6457.25, 0.00314092/step, 2.58009 hours remaining, 235.050781 MB of memory in use. ENERGY: 2042800 3944.9537 20398.7631 14508.3509 239.9737 -203120.2469 2810.8838 0.0000 0.0000 51950.8542 -109266.4676 298.5623 -161217.3217 -108915.1923 298.4385 119.0597 145.8720 763630.4884 6.9070 7.0742 PRESSURE: 2043000 35.1664 107.535 336.846 107.535 -208.932 97.2864 336.846 97.2855 170.385 GPRESSURE: 2043000 -40.8733 67 228.397 62.6457 -65.3355 81.7781 151.748 126.444 170.254 PRESSAVG: 2043000 -38.6869 2.52473 46.4165 2.52468 40.5806 -14.7958 46.4164 -14.7958 0.777638 GPRESSAVG: 2043000 -39.4159 1.05065 47.0984 0.856789 41.167 -14.7482 44.2542 -15.9794 0.256081 TIMING: 2043000 CPU: 6457.88, 0.00314776/step Wall: 6457.88, 0.00314776/step, 2.58554 hours remaining, 235.050781 MB of memory in use. ENERGY: 2043000 3938.1808 20590.4124 14422.9966 238.6848 -203036.3812 2682.9786 0.0000 0.0000 51942.5889 -109220.5392 298.5148 -161163.1280 -108864.2934 298.8484 -1.1269 21.3484 762098.7905 0.8904 0.6691 PRESSURE: 2043200 126.477 -30.6709 -55.3278 -30.6709 86.3068 25.6711 -55.3276 25.6707 352.972 GPRESSURE: 2043200 158.973 17.1485 -41.2308 -62.2345 120.929 -52.2106 32.0192 -49.3864 372.483 PRESSAVG: 2043200 39.293 21.9148 38.6713 21.9148 -22.9919 -9.18624 38.6713 -9.18636 -12.639 GPRESSAVG: 2043200 38.7381 23.9501 36.5864 23.3935 -23.0742 -9.39823 37.905 -9.93759 -11.8836 TIMING: 2043200 CPU: 6458.51, 0.00315606/step Wall: 6458.51, 0.00315606/step, 2.59217 hours remaining, 235.050781 MB of memory in use. ENERGY: 2043200 3995.2254 20471.1298 14514.4678 247.3473 -203286.5428 2864.9751 0.0000 0.0000 52057.4711 -109135.9263 299.1750 -161193.3974 -108778.5674 299.5980 188.5852 217.4616 761003.2948 1.2207 1.2601 PRESSURE: 2043400 103.539 -3.25095 -275.856 -3.25092 -170.019 -266.75 -275.857 -266.752 -263.681 GPRESSURE: 2043400 112.07 -106.066 -207.634 -0.405637 -150.085 -284.078 -297.717 -123.205 -196.807 PRESSAVG: 2043400 68.9822 26.065 0.214718 26.065 -108.017 1.85029 0.21472 1.85025 3.69069 GPRESSAVG: 2043400 67.9617 25.0984 0.313947 24.6672 -106.521 1.76869 2.12993 2.83759 3.4185 TIMING: 2043400 CPU: 6459.14, 0.00316231/step Wall: 6459.14, 0.00316231/step, 2.59713 hours remaining, 235.050781 MB of memory in use. ENERGY: 2043400 4059.6113 20439.9112 14455.9872 260.3160 -202983.7256 2535.4791 0.0000 0.0000 51902.0967 -109330.3240 298.2821 -161232.4207 -108972.6469 299.3169 -110.0537 -78.2738 759989.0714 -11.7815 -11.7135 PRESSURE: 2043600 -253.88 37.4551 -81.2106 37.4552 -117.563 -25.846 -81.21 -25.8471 86.6957 GPRESSURE: 2043600 -160.952 -44.3451 -11.0803 -22.6656 -139.649 -90.2999 -5.91566 -37.9626 105.786 PRESSAVG: 2043600 71.0586 -5.76735 33.5197 -5.76734 -92.4596 -33.1889 33.5197 -33.1889 4.28088 GPRESSAVG: 2043600 73.4075 -6.86059 35.143 -4.58413 -94.9684 -32.1891 32.7661 -34.6429 5.05686 TIMING: 2043600 CPU: 6459.77, 0.00314882/step Wall: 6459.77, 0.00314882/step, 2.58588 hours remaining, 235.050781 MB of memory in use. ENERGY: 2043600 3927.1524 20526.9085 14445.8394 251.3412 -203029.1169 2338.5149 0.0000 0.0000 52120.0830 -109419.2774 299.5348 -161539.3604 -109055.9477 298.9150 -94.9158 -64.9384 761268.0055 -5.7067 -5.5013 PRESSURE: 2043800 172.524 -128.639 -133.097 -128.64 -213.682 -2.97432 -133.097 -2.97303 -717.061 GPRESSURE: 2043800 127.669 -62.4253 -23.6176 28.0351 -176.393 62.9728 -42.8416 -125.03 -615.789 PRESSAVG: 2043800 32.1754 -16.9991 -21.2601 -16.9991 -21.3387 -21.0022 -21.2601 -21.0021 5.34692 GPRESSAVG: 2043800 30.8381 -17.4871 -23.2932 -15.6491 -20.2826 -22.0492 -19.9172 -19.6571 5.76481 TIMING: 2043800 CPU: 6460.41, 0.00316485/step Wall: 6460.41, 0.00316485/step, 2.59887 hours remaining, 235.050781 MB of memory in use. ENERGY: 2043800 3873.7435 20445.2435 14488.5499 225.3641 -203135.0690 2587.4290 0.0000 0.0000 52095.2895 -109419.4494 299.3923 -161514.7389 -109051.2258 298.6806 -252.7399 -221.5043 761235.0047 5.3945 5.4401 PRESSURE: 2044000 294.885 71.4751 -102.508 71.4746 188.994 31.4649 -102.507 31.4635 -247.617 GPRESSURE: 2044000 253.794 183.896 -19.975 76.462 324.642 48.5629 -55.8335 5.98238 -260.299 PRESSAVG: 2044000 -28.0357 14.7514 72.3563 14.7514 11.4275 -42.1347 72.3563 -42.1346 -2.32748 GPRESSAVG: 2044000 -28.1217 17.0025 72.2679 12.2386 11.3407 -42.6654 72.2686 -41.1983 -2.08426 TIMING: 2044000 CPU: 6461.04, 0.00315327/step Wall: 6461.04, 0.00315327/step, 2.58918 hours remaining, 235.050781 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: 2044000 3900.9365 20434.0926 14513.4367 232.8528 -203361.3787 2915.9456 0.0000 0.0000 51969.0634 -109395.0511 298.6669 -161364.1145 -109031.7074 298.9562 78.7538 106.0457 762151.6848 -6.3119 -6.2884 PRESSURE: 2044200 -376.455 -4.45561 -9.60546 -4.45495 -391.761 140.593 -9.60462 140.593 -533.153 GPRESSURE: 2044200 -302.34 -5.33703 9.64311 1.68493 -415.679 215.661 43.8329 -45.1469 -521.475 PRESSAVG: 2044200 12.6165 -23.0105 5.81272 -23.0104 13.4551 -19.5696 5.81271 -19.5695 -16.0281 GPRESSAVG: 2044200 12.9088 -21.9865 5.59725 -21.4252 14.1048 -19.4545 4.59587 -20.8421 -17.2365 TIMING: 2044200 CPU: 6461.67, 0.0031454/step Wall: 6461.67, 0.0031454/step, 2.58255 hours remaining, 235.050781 MB of memory in use. ENERGY: 2044200 3955.6992 20471.6545 14469.2878 251.5522 -202703.4667 2183.1102 0.0000 0.0000 51952.1767 -109419.9861 298.5699 -161372.1628 -109055.9131 299.0201 -433.7897 -413.1647 763321.6770 3.3478 3.2590 LDB: ============= START OF LOAD BALANCING ============== 6474.2 LDB: ============== END OF LOAD BALANCING =============== 6474.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6474.2 LDB: ============= START OF LOAD BALANCING ============== 6474.52 LDB: Largest compute 7060 load 0.031401 is 16.1% of average load 0.195474 LDB: Average compute 0.004386 is 2.2% of average load 0.195474 LDB: TIME 6474.52 LOAD: AVG 0.195474 MAX 0.216324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.617 MB LDB: TIME 6474.52 LOAD: AVG 0.195474 MAX 0.216324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.641 MB LDB: TIME 6474.52 LOAD: AVG 0.195474 MAX 0.216324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.641 MB LDB: ============== END OF LOAD BALANCING =============== 6474.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6474.53 PRESSURE: 2044400 -285.178 192.694 146.936 192.693 7.67768 57.3088 146.936 57.3088 50.0954 GPRESSURE: 2044400 -209.218 188.989 62.3297 43.7758 120.597 1.96328 206.201 36.319 -54.6986 PRESSAVG: 2044400 40.7806 50.7044 19.8625 50.7044 -29.9934 7.05925 19.8625 7.05927 -7.99418 GPRESSAVG: 2044400 39.841 47.896 21.9303 48.9097 -29.7512 7.10883 21.2535 7.46404 -7.82588 TIMING: 2044400 CPU: 6462.31, 0.0032231/step Wall: 6462.31, 0.0032231/step, 2.64616 hours remaining, 235.164062 MB of memory in use. ENERGY: 2044400 3993.7018 20375.0149 14445.5133 255.5641 -203301.5123 2602.4300 0.0000 0.0000 52342.0493 -109287.2389 300.8105 -161629.2882 -108922.2558 299.0576 -75.8017 -47.7735 761076.6572 0.9310 0.7546 PRESSURE: 2044600 -165.154 35.3995 69.5599 35.3983 94.7063 -241.024 69.5592 -241.023 123.828 GPRESSURE: 2044600 -90.8163 -17.3327 49.8901 -30.3146 63.4429 -278.715 -1.70127 -216.77 151.802 PRESSAVG: 2044600 43.1245 47.5797 42.8867 47.5797 -10.3272 40.1398 42.8867 40.1399 2.7385 GPRESSAVG: 2044600 44.3598 51.0543 41.6402 48.0181 -10.7324 41.1894 42.5902 38.1954 1.91387 TIMING: 2044600 CPU: 6462.94, 0.00317128/step Wall: 6462.94, 0.00317128/step, 2.60345 hours remaining, 235.164062 MB of memory in use. ENERGY: 2044600 3967.3077 20596.5900 14470.6320 227.4528 -203531.3683 2774.1031 0.0000 0.0000 52112.8095 -109382.4731 299.4930 -161495.2826 -109018.9935 299.3387 17.7935 41.4761 762086.3629 11.8453 11.8471 PRESSURE: 2044800 538.758 140.274 -137.01 140.273 479.835 -145.683 -137.01 -145.684 296.112 GPRESSURE: 2044800 492.705 133.887 -120.627 112.338 494.163 -144.459 -209.987 -111.407 418.852 PRESSAVG: 2044800 21.3826 -2.18222 -18.0306 -2.18229 1.6228 -17.5739 -18.0306 -17.574 26.1012 GPRESSAVG: 2044800 21.8093 -5.45445 -17.5338 0.707884 0.407122 -16.6538 -21.4855 -16.8876 26.4062 TIMING: 2044800 CPU: 6463.57, 0.00314094/step Wall: 6463.57, 0.00314094/step, 2.57836 hours remaining, 235.164062 MB of memory in use. ENERGY: 2044800 3873.8133 20455.7779 14497.2372 245.0177 -203764.4216 3174.3017 0.0000 0.0000 51977.0049 -109541.2689 298.7126 -161518.2739 -109186.9175 298.6808 438.2346 468.5732 760048.2375 16.3689 16.2076 PRESSURE: 2045000 103.927 -230.641 -175.499 -230.642 145.878 -34.8052 -175.499 -34.8042 321.093 GPRESSURE: 2045000 138.572 7.50368 -163.92 -116.483 211.944 93.1444 -196.574 -32.0008 305.081 PRESSAVG: 2045000 46.292 54.6802 -70.3014 54.6803 -53.505 21.3706 -70.3014 21.3706 11.1641 GPRESSAVG: 2045000 46.4161 57.5438 -69.8601 51.8268 -52.0049 19.5085 -67.7636 22.9035 10.4368 TIMING: 2045000 CPU: 6464.2, 0.00314986/step Wall: 6464.2, 0.00314986/step, 2.58551 hours remaining, 235.164062 MB of memory in use. ENERGY: 2045000 3940.9533 20486.0447 14493.2434 244.5511 -203649.8104 2915.2666 0.0000 0.0000 51968.2240 -109601.5274 298.6621 -161569.7514 -109238.3070 298.2723 190.2990 218.5325 761550.3332 1.3171 1.6160 PRESSURE: 2045200 -3.05942 -152.493 -4.3171 -152.493 34.5251 -20.269 -4.31756 -20.2694 -135.859 GPRESSURE: 2045200 115.123 -45.0228 6.9945 -193.595 -74.9637 110.909 39.0359 2.32617 -72.764 PRESSAVG: 2045200 47.6301 -22.1425 -45.4466 -22.1425 -30.9556 11.6314 -45.4466 11.6314 -19.779 GPRESSAVG: 2045200 48.2272 -23.3669 -47.0636 -20.61 -31.6398 11.2617 -44.9756 11.217 -19.4364 TIMING: 2045200 CPU: 6464.83, 0.00315416/step Wall: 6464.83, 0.00315416/step, 2.58886 hours remaining, 235.164062 MB of memory in use. ENERGY: 2045200 3991.2168 20602.8911 14486.1612 255.1049 -203659.3023 2951.3288 0.0000 0.0000 51956.6913 -109415.9082 298.5958 -161372.5995 -109053.0256 298.4184 -34.7978 -10.8683 762829.8699 -1.0348 -0.9496 PRESSURE: 2045400 618.222 -27.6129 36.8988 -27.6131 153.633 34.3956 36.8998 34.3962 322.613 GPRESSURE: 2045400 639.757 -97.3677 -55.1196 17.704 158.065 63.8456 -4.80644 -38.1373 356.451 PRESSAVG: 2045400 38.5748 -41.2366 1.38766 -41.2366 -26.8758 25.4712 1.38773 25.4712 8.83673 GPRESSAVG: 2045400 38.1261 -42.3128 1.23492 -41.46 -25.828 25.9139 2.46082 24.2643 8.36614 TIMING: 2045400 CPU: 6465.46, 0.00314187/step Wall: 6465.46, 0.00314187/step, 2.5786 hours remaining, 235.164062 MB of memory in use. ENERGY: 2045400 3945.5740 20489.2336 14479.5258 252.5302 -203664.7158 3006.8971 0.0000 0.0000 52077.8070 -109413.1481 299.2919 -161490.9551 -109045.4285 298.7765 364.8226 384.7577 760604.2713 6.8453 6.8881 PRESSURE: 2045600 -274.471 -89.9709 -287.461 -89.9704 -405.68 270.644 -287.461 270.644 -244.923 GPRESSURE: 2045600 -266.066 69.3772 -302.449 -106.614 -314.819 252.945 -152.633 134.025 -253.888 PRESSAVG: 2045600 50.5415 4.92783 31.9666 4.92782 -34.2742 -8.40743 31.9667 -8.40755 -3.29988 GPRESSAVG: 2045600 49.5037 6.31598 32.6912 5.27453 -33.8226 -7.34476 31.3926 -8.27808 -2.03441 TIMING: 2045600 CPU: 6466.09, 0.00315082/step Wall: 6466.09, 0.00315082/step, 2.58577 hours remaining, 235.164062 MB of memory in use. ENERGY: 2045600 4034.3311 20545.9941 14453.5916 242.1754 -203531.1062 2755.8580 0.0000 0.0000 52080.9020 -109418.2539 299.3097 -161499.1559 -109068.2636 298.9449 -308.3577 -278.2578 761806.0521 4.3225 4.5489 PRESSURE: 2045800 291.817 108.478 -131.386 108.477 -161.901 173.434 -131.385 173.435 110.732 GPRESSURE: 2045800 224.366 67.3623 -260.731 59.5499 25.5631 114.44 -180.412 75.3156 81.6626 PRESSAVG: 2045800 38.6552 -17.1398 -55.7898 -17.1398 -15.0057 30.2447 -55.7898 30.2447 -17.7193 GPRESSAVG: 2045800 39.5519 -18.1384 -55.848 -17.2938 -15.7887 29.4643 -56.106 30.0298 -17.6443 TIMING: 2045800 CPU: 6466.72, 0.0031468/step Wall: 6466.72, 0.0031468/step, 2.5823 hours remaining, 235.164062 MB of memory in use. ENERGY: 2045800 3906.2173 20381.9674 14478.2967 248.7974 -203505.2742 3025.4394 0.0000 0.0000 52143.9722 -109320.5839 299.6721 -161464.5560 -108952.1744 299.3510 80.2158 110.5305 761754.7237 1.9767 2.0396 PRESSURE: 2046000 -294.975 1.76629 -245.477 1.76684 -279.754 374.123 -245.476 374.123 119.753 GPRESSURE: 2046000 -269.954 -0.0146603 -231.882 -22.5693 -239.197 400.369 -202.209 310.476 143.526 PRESSAVG: 2046000 46.0462 -34.7655 28.7854 -34.7655 -32.0473 37.4374 28.7854 37.4373 1.97415 GPRESSAVG: 2046000 46.0095 -33.3531 29.1842 -36.837 -32.8111 36.4727 30.2949 36.6837 2.39935 TIMING: 2046000 CPU: 6467.35, 0.00316236/step Wall: 6467.35, 0.00316236/step, 2.59489 hours remaining, 235.164062 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: 2046000 4064.0862 20669.8692 14443.9613 248.0573 -202993.8065 2450.1567 0.0000 0.0000 51912.8467 -109204.8291 298.3438 -161117.6758 -108855.1436 299.2077 -151.6586 -121.8749 761856.9015 5.3244 5.1992 PRESSURE: 2046200 225.968 -100.521 14.6997 -100.52 -126.21 -89.1394 14.6995 -89.1401 291.2 GPRESSURE: 2046200 265.567 -170.42 43.8763 -36.8662 -90.1427 -93.5189 46.9031 -25.7203 278.003 PRESSAVG: 2046200 16.9841 -43.4758 -8.06848 -43.4758 -17.0931 51.0282 -8.0685 51.0282 -15.5297 GPRESSAVG: 2046200 17.5881 -43.0329 -8.86078 -43.4559 -17.6701 50.6571 -10.8253 52.1561 -16.0399 TIMING: 2046200 CPU: 6467.99, 0.00317198/step Wall: 6467.99, 0.00317198/step, 2.60261 hours remaining, 235.164062 MB of memory in use. ENERGY: 2046200 3934.1417 20525.8936 14473.2631 238.7192 -202429.9272 2281.5581 0.0000 0.0000 51843.1262 -109133.2252 297.9432 -160976.3514 -108768.5529 299.5594 130.3191 151.1424 761623.0296 -5.2129 -5.3740 PRESSURE: 2046400 -98.5762 -11.5641 -32.7067 -11.5636 192.794 -67.4809 -32.7057 -67.4802 29.2389 GPRESSURE: 2046400 -24.2775 87.6711 8.95255 -53.6017 189.41 -130.76 -237.691 1.28679 46.629 PRESSAVG: 2046400 42.822 -43.6668 -2.25993 -43.6667 -67.1134 -20.4864 -2.25993 -20.4864 5.84718 GPRESSAVG: 2046400 43.3566 -44.7743 -1.95678 -43.2756 -66.2197 -19.5189 -1.10635 -21.374 5.29066 TIMING: 2046400 CPU: 6468.63, 0.00319295/step Wall: 6468.63, 0.00319295/step, 2.61964 hours remaining, 235.164062 MB of memory in use. ENERGY: 2046400 3872.5736 20496.0019 14456.4387 244.7548 -203295.1500 2691.9897 0.0000 0.0000 52409.4711 -109123.9203 301.1980 -161533.3914 -108754.2636 298.8590 41.1521 70.5871 761357.1131 -6.1481 -5.8575 PRESSURE: 2046600 203.032 76.7547 -195.713 76.7552 49.9039 46.2135 -195.712 46.2134 238.619 GPRESSURE: 2046600 188.858 86.5116 -294.75 85.844 55.5187 19.9831 -142.514 -107.359 317.396 PRESSAVG: 2046600 40.2846 -25.5303 -23.5972 -25.5303 2.79411 38.533 -23.5972 38.5329 -7.06949 GPRESSAVG: 2046600 39.8483 -24.4875 -24.3826 -24.4312 3.09224 37.0037 -23.9885 38.8324 -6.49287 TIMING: 2046600 CPU: 6469.26, 0.00316501/step Wall: 6469.26, 0.00316501/step, 2.59654 hours remaining, 235.164062 MB of memory in use. ENERGY: 2046600 4039.5465 20391.9019 14505.5693 240.4070 -203187.0151 2649.2412 0.0000 0.0000 52342.0632 -109018.2861 300.8106 -161360.3493 -108649.1729 299.1638 163.8517 187.2576 760134.7839 12.0031 12.1492 PRESSURE: 2046800 106.156 -174.203 177.903 -174.204 -492.008 133.871 177.904 133.871 -135.751 GPRESSURE: 2046800 174.58 -64.6412 98.4999 -234.112 -432.523 151.045 77.7968 250.994 -163.878 PRESSAVG: 2046800 66.0942 -8.25944 13.2952 -8.25948 -60.6697 -43.5887 13.2953 -43.5886 -17.99 GPRESSAVG: 2046800 65.5089 -8.99902 13.0784 -8.76073 -61.2127 -40.208 13.0652 -44.6866 -16.6434 TIMING: 2046800 CPU: 6469.89, 0.0031681/step Wall: 6469.89, 0.0031681/step, 2.5989 hours remaining, 235.164062 MB of memory in use. ENERGY: 2046800 4093.1804 20402.9744 14325.2565 247.5643 -202601.4720 2387.8276 0.0000 0.0000 52130.3257 -109014.3431 299.5937 -161144.6688 -108652.5210 299.6017 -173.8679 -140.6071 762322.2104 -4.1885 -4.1157 PRESSURE: 2047000 57.6243 -119.776 243.005 -119.775 -496.619 -277.609 243.005 -277.608 -354.634 GPRESSURE: 2047000 58.1635 -134.015 196.423 -206.551 -464.368 -302.014 312.191 -194.163 -309.197 PRESSAVG: 2047000 23.4877 -51.5913 -26.6815 -51.5913 -42.0502 32.1211 -26.6814 32.1211 16.4477 GPRESSAVG: 2047000 23.998 -50.4304 -25.3786 -52.2246 -41.8476 29.6656 -26.9129 32.8732 16.2038 TIMING: 2047000 CPU: 6470.52, 0.00315111/step Wall: 6470.52, 0.00315111/step, 2.58479 hours remaining, 235.164062 MB of memory in use. ENERGY: 2047000 4038.4849 20721.9255 14520.7174 253.8160 -202619.5708 2151.2007 0.0000 0.0000 52038.4447 -108894.9816 299.0657 -160933.4264 -108534.2107 299.4221 -264.5429 -238.4672 761008.0547 -0.7049 -0.5486 PRESSURE: 2047200 -119.881 310.919 -69.4206 310.919 146.057 96.1539 -69.42 96.1541 -192.688 GPRESSURE: 2047200 38.9766 355.389 -64.4203 377.953 77.8858 129.859 -14.184 34.4436 -196.07 PRESSAVG: 2047200 42.0097 -42.8986 15.2127 -42.8986 -45.8462 -6.22942 15.2127 -6.22947 14.0967 GPRESSAVG: 2047200 42.9718 -43.7366 16.3344 -41.2985 -46.3146 -4.32933 14.683 -6.63921 14.0636 TIMING: 2047200 CPU: 6471.15, 0.00315395/step Wall: 6471.15, 0.00315395/step, 2.58694 hours remaining, 235.164062 MB of memory in use. ENERGY: 2047200 4025.7311 20497.4819 14451.1470 251.8847 -203114.1313 2603.1287 0.0000 0.0000 52320.2627 -108964.4951 300.6853 -161284.7579 -108587.4086 300.0246 -55.5040 -26.4027 761349.1671 3.4201 3.5736 PRESSURE: 2047400 -165.813 8.43258 -81.2075 8.43215 -251.667 -21.7732 -81.2071 -21.7734 -148.248 GPRESSURE: 2047400 -114.471 -42.6372 -123.908 -56.3067 -188.911 -48.8483 -62.0674 22.5275 -175.075 PRESSAVG: 2047400 -3.6846 -9.68414 -23.6162 -9.6841 -27.3952 -12.2619 -23.6161 -12.2618 24.7764 GPRESSAVG: 2047400 -4.25227 -10.7138 -24.9672 -8.91032 -26.3355 -13.9043 -22.8984 -9.85517 24.0086 TIMING: 2047400 CPU: 6471.79, 0.00315359/step Wall: 6471.79, 0.00315359/step, 2.58647 hours remaining, 235.164062 MB of memory in use. ENERGY: 2047400 4023.1634 20457.3806 14402.3135 267.5888 -202870.4569 2375.8128 0.0000 0.0000 52281.1891 -109063.0087 300.4607 -161344.1979 -108698.5050 300.0652 -188.5760 -159.4857 763052.5368 -2.1011 -2.1930 PRESSURE: 2047600 93.7845 -150.83 239.081 -150.828 -24.2244 -299.803 239.082 -299.803 -27.3403 GPRESSURE: 2047600 128.362 -99.1925 225.654 -20.8607 37.4555 -213.944 219.79 -281.588 -30.2483 PRESSAVG: 2047600 48.6496 -26.2891 -32.8396 -26.2891 -44.6126 -4.0034 -32.8397 -4.00334 16.5841 GPRESSAVG: 2047600 48.5065 -24.9886 -34.2494 -26.5231 -44.2701 -3.9705 -28.606 -6.26663 16.6056 TIMING: 2047600 CPU: 6472.42, 0.00315556/step Wall: 6472.42, 0.00315556/step, 2.58791 hours remaining, 235.164062 MB of memory in use. ENERGY: 2047600 4049.9143 20564.0908 14461.3265 249.4486 -203315.0697 2913.5431 0.0000 0.0000 51809.8214 -109266.9250 297.7518 -161076.7464 -108906.8583 299.6343 14.0733 45.1898 762731.8568 6.8737 6.9473 PRESSURE: 2047800 -127.512 141.274 -18.465 141.274 -564.592 -134.914 -18.4651 -134.914 -251.653 GPRESSURE: 2047800 -17.8166 83.9602 -35.5515 117.944 -539.543 -129.134 -166.818 -277.47 -296.147 PRESSAVG: 2047800 -15.187 3.80057 -18.0167 3.80046 -3.48508 11.0402 -18.0167 11.0402 15.7592 GPRESSAVG: 2047800 -14.2205 2.7414 -16.3667 2.83205 -4.5228 11.4996 -21.0319 12.2451 15.4873 TIMING: 2047800 CPU: 6473.05, 0.00315043/step Wall: 6473.05, 0.00315043/step, 2.58353 hours remaining, 235.164062 MB of memory in use. ENERGY: 2047800 4018.1602 20552.7017 14347.2809 272.5290 -203378.9057 2766.6536 0.0000 0.0000 52126.7209 -109294.8594 299.5730 -161421.5803 -108928.3536 299.0715 -314.5856 -284.5021 762031.4950 -0.9710 -1.0853 PRESSURE: 2048000 210.743 -94.0709 -35.6804 -94.0708 46.4147 -42.1293 -35.681 -42.1293 131.279 GPRESSURE: 2048000 266.844 -88.9437 18.0382 -52.6439 74.0721 -4.16834 -110.558 54.7485 138.969 PRESSAVG: 2048000 62.1055 34.4611 -22.8482 34.4612 -72.5185 9.69359 -22.8481 9.69369 -20.1655 GPRESSAVG: 2048000 61.8819 35.2642 -24.5715 35.4194 -72.5347 12.0147 -23.2387 10.2141 -19.9881 TIMING: 2048000 CPU: 6473.67, 0.00314224/step Wall: 6473.67, 0.00314224/step, 2.57664 hours remaining, 235.164062 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: 2048000 3972.3281 20600.7234 14462.8845 254.0213 -202918.5506 2517.1217 0.0000 0.0000 51724.4920 -109386.9796 297.2614 -161111.4716 -109032.2527 299.0252 129.4789 159.9617 762711.9893 -10.1928 -10.2136 PRESSURE: 2048200 59.3191 29.5482 130.621 29.548 169.259 -76.01 130.621 -76.0098 81.5934 GPRESSURE: 2048200 -17.591 -5.70954 177.289 68.2988 235.991 -43.6947 117.552 -210.186 182.751 PRESSAVG: 2048200 37.2183 -15.7771 -0.366517 -15.7771 44.3171 21.6622 -0.366514 21.6622 -13.06 GPRESSAVG: 2048200 35.8153 -15.2235 -0.844693 -19.1957 44.8658 19.683 1.71705 20.7649 -12.2763 TIMING: 2048200 CPU: 6474.3, 0.00313902/step Wall: 6474.3, 0.00313902/step, 2.57382 hours remaining, 235.164062 MB of memory in use. ENERGY: 2048200 3966.7506 20547.9780 14470.1654 265.2040 -203377.6087 2874.8040 0.0000 0.0000 51720.9242 -109531.7824 297.2409 -161252.7067 -109167.6279 298.9185 103.3904 133.7171 763082.8409 22.8251 22.8016 LDB: ============= START OF LOAD BALANCING ============== 6486.83 LDB: ============== END OF LOAD BALANCING =============== 6486.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6486.84 LDB: ============= START OF LOAD BALANCING ============== 6487.15 LDB: Largest compute 7031 load 0.032476 is 16.6% of average load 0.195449 LDB: Average compute 0.004398 is 2.3% of average load 0.195449 LDB: TIME 6487.15 LOAD: AVG 0.195449 MAX 0.215208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.703 MB LDB: TIME 6487.15 LOAD: AVG 0.195449 MAX 0.215208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: TIME 6487.15 LOAD: AVG 0.195449 MAX 0.215208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: ============== END OF LOAD BALANCING =============== 6487.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6487.16 PRESSURE: 2048400 -197.996 -83.314 -16.1824 -83.313 -4.39308 -51.5 -16.1833 -51.4999 -263.806 GPRESSURE: 2048400 -146.051 -127.893 -15.8953 -47.1282 28.1005 -14.5563 123.951 -119.102 -260.29 PRESSAVG: 2048400 -7.38339 -14.2058 14.8678 -14.2058 0.952396 36.5912 14.8677 36.5912 -0.682281 GPRESSAVG: 2048400 -5.33003 -14.9517 16.8672 -11.9175 0.963222 36.8615 13.6846 35.4049 -1.65775 TIMING: 2048400 CPU: 6474.94, 0.00320762/step Wall: 6474.94, 0.00320762/step, 2.62989 hours remaining, 235.269531 MB of memory in use. ENERGY: 2048400 3947.7188 20552.3797 14523.2646 265.0177 -203554.4488 2922.4801 0.0000 0.0000 51793.3993 -109550.1886 297.6574 -161343.5879 -109186.0038 298.7146 -155.3983 -126.0801 763739.6381 -2.3711 -2.0082 PRESSURE: 2048600 123.564 -182.497 -157.672 -182.496 -135.509 30.0629 -157.672 30.0629 -544.336 GPRESSURE: 2048600 72.7266 -223.235 -120.489 -59.3743 -23.2511 30.7226 -131.584 -44.4129 -505.641 PRESSAVG: 2048600 110.47 -34.2724 -42.2605 -34.2724 -61.0221 -4.82494 -42.2605 -4.82499 13.0109 GPRESSAVG: 2048600 110.507 -33.3387 -42.8946 -34.3658 -61.4981 -2.56078 -41.3195 -3.7755 13.5056 TIMING: 2048600 CPU: 6475.57, 0.00314078/step Wall: 6475.57, 0.00314078/step, 2.57491 hours remaining, 235.472656 MB of memory in use. ENERGY: 2048600 3893.2854 20548.1195 14507.4253 216.8291 -203120.3148 2323.2848 0.0000 0.0000 52012.5621 -109618.8085 298.9169 -161631.3706 -109256.3266 298.3817 -185.4269 -152.0551 761632.0876 20.8196 20.8381 PRESSURE: 2048800 -99.9721 -76.8494 157.063 -76.8492 -156.847 247.254 157.063 247.254 -209.025 GPRESSURE: 2048800 -117.088 30.335 184.761 -44.5979 -55.5674 264.268 -64.672 190.231 -201.519 PRESSAVG: 2048800 -14.3081 -55.7303 38.2617 -55.7302 13.871 -9.08819 38.2617 -9.08823 1.33093 GPRESSAVG: 2048800 -13.6365 -57.2948 37.5748 -55.4015 13.9905 -11.7792 37.1436 -8.70071 0.769508 TIMING: 2048800 CPU: 6476.2, 0.00314678/step Wall: 6476.2, 0.00314678/step, 2.57966 hours remaining, 235.472656 MB of memory in use. ENERGY: 2048800 4025.9734 20631.1888 14486.3399 237.2269 -203475.0645 2609.5302 0.0000 0.0000 51815.7842 -109669.0211 297.7860 -161484.8053 -109310.4405 298.4332 -155.2811 -124.7248 761718.9817 0.2979 0.3745 PRESSURE: 2049000 198.746 262.253 -18.9742 262.252 -66.11 -142.65 -18.9747 -142.649 276.343 GPRESSURE: 2049000 270.536 248.793 56.1319 229.613 -109.682 -43.9849 -13.3955 -133.478 335.973 PRESSAVG: 2049000 23.9477 -31.1822 -0.487663 -31.1821 2.83593 41.4225 -0.487591 41.4225 9.93745 GPRESSAVG: 2049000 23.4927 -29.7641 0.981327 -29.6487 2.91494 44.1494 -0.306565 42.2425 10.5416 TIMING: 2049000 CPU: 6476.83, 0.00314444/step Wall: 6476.83, 0.00314444/step, 2.57757 hours remaining, 235.472656 MB of memory in use. ENERGY: 2049000 3887.7627 20500.7954 14482.9399 263.9371 -203725.0029 2961.6315 0.0000 0.0000 51899.2243 -109728.7120 298.2656 -161627.9363 -109363.1563 298.5677 136.3263 165.6092 762547.1761 12.2404 12.3164 PRESSURE: 2049200 -129.325 264.107 120.791 264.106 240.887 -67.5658 120.792 -67.5653 38.5182 GPRESSURE: 2049200 -128.729 244.11 95.3456 184.346 250.531 -63.9963 149.753 -193.298 114.705 PRESSAVG: 2049200 16.9746 -26.6251 17.7717 -26.6251 -20.6785 16.3063 17.7717 16.3063 -4.12236 GPRESSAVG: 2049200 16.8898 -27.6909 16.8052 -26.8274 -20.2734 15.2319 17.922 13.6915 -3.97107 TIMING: 2049200 CPU: 6477.46, 0.00315589/step Wall: 6477.46, 0.00315589/step, 2.58678 hours remaining, 235.472656 MB of memory in use. ENERGY: 2049200 3975.1140 20525.3095 14461.5340 241.2507 -203228.0521 2584.8707 0.0000 0.0000 51741.2981 -109698.6751 297.3580 -161439.9732 -109341.6084 298.2744 50.0269 78.8355 762407.7792 -2.6087 -2.4516 PRESSURE: 2049400 515.927 -240.002 -103.174 -240.001 -14.8576 3.14321 -103.173 3.14289 368.286 GPRESSURE: 2049400 459.931 -235.549 -131.611 -114.236 119.772 41.0157 -30.1908 23.804 357.277 PRESSAVG: 2049400 -50.143 -37.9536 56.3862 -37.9536 19.666 33.3463 56.3863 33.3463 -18.1233 GPRESSAVG: 2049400 -49.3204 -36.7593 56.8497 -39.475 20.1222 33.704 56.6751 37.3071 -19.5507 TIMING: 2049400 CPU: 6478.09, 0.00315195/step Wall: 6478.09, 0.00315195/step, 2.58337 hours remaining, 235.472656 MB of memory in use. ENERGY: 2049400 3978.4376 20428.3199 14451.8975 240.8316 -203702.1651 2882.4691 0.0000 0.0000 52052.4581 -109667.7513 299.1462 -161720.2095 -109297.3978 298.5754 289.7854 312.3267 761774.8668 -16.2001 -16.2496 PRESSURE: 2049600 92.8204 -55.2925 152.789 -55.2919 74.6011 -7.19543 152.79 -7.19599 6.88476 GPRESSURE: 2049600 187.048 -74.569 35.7647 64.8614 58.6608 36.5712 -48.5811 -77.3028 25.174 PRESSAVG: 2049600 -16.3169 -41.5672 45.5385 -41.5672 22.9292 -23.2484 45.5385 -23.2483 21.1887 GPRESSAVG: 2049600 -16.771 -40.3062 45.1053 -40.0738 22.2697 -24.3218 45.2295 -24.9051 22.1388 TIMING: 2049600 CPU: 6478.72, 0.00315054/step Wall: 6478.72, 0.00315054/step, 2.58205 hours remaining, 235.472656 MB of memory in use. ENERGY: 2049600 3988.4022 20462.8818 14526.5336 259.5783 -203445.0829 2686.8676 0.0000 0.0000 52109.4078 -109411.4114 299.4735 -161520.8192 -109056.3673 298.8723 58.1021 90.2941 760680.3427 9.2670 9.2125 PRESSURE: 2049800 21.381 -33.6779 21.3764 -33.6784 -57.3761 82.7393 21.376 82.7387 84.4126 GPRESSURE: 2049800 104.607 -113.965 41.2403 -103.29 -24.3452 33.5161 0.741182 -20.3004 70.9968 PRESSAVG: 2049800 -12.2567 -67.3432 10.3307 -67.3433 0.538572 17.9965 10.3307 17.9965 -13.3739 GPRESSAVG: 2049800 -12.3214 -69.5957 9.8973 -69.5077 1.58138 16.9739 10.4463 17.719 -14.3648 TIMING: 2049800 CPU: 6479.35, 0.0031479/step Wall: 6479.35, 0.0031479/step, 2.5797 hours remaining, 235.472656 MB of memory in use. ENERGY: 2049800 3996.1800 20454.8585 14530.5583 256.9040 -203432.4944 2742.8176 0.0000 0.0000 51967.5647 -109483.6114 298.6583 -161451.1761 -109118.9160 298.7799 16.1392 50.4196 761821.5072 -8.3640 -8.3683 PRESSURE: 2050000 142.201 -261.209 -125.545 -261.208 173.596 2.55547 -125.544 2.55444 7.22981 GPRESSURE: 2050000 198.966 -185.134 -130.605 -147.864 170.224 -44.4857 -123.068 59.2404 60.0809 PRESSAVG: 2050000 38.0385 -35.956 20.1755 -35.956 -50.8431 -1.20252 20.1754 -1.20245 -5.58591 GPRESSAVG: 2050000 37.4608 -36.9837 19.9268 -35.1714 -52.3949 -0.51321 21.1923 -0.613145 -3.62161 TIMING: 2050000 CPU: 6479.98, 0.00314172/step Wall: 6479.98, 0.00314172/step, 2.57446 hours remaining, 235.472656 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: 2050000 4027.8844 20600.5913 14450.8601 244.7738 -203670.5772 2928.1374 0.0000 0.0000 52178.5182 -109239.8120 299.8707 -161418.3302 -108883.6088 299.2159 107.6755 143.0901 761015.6611 -6.1302 -6.1853 PRESSURE: 2050200 -150.585 -102.524 86.0922 -102.525 112.602 341.427 86.0922 341.426 -154.569 GPRESSURE: 2050200 -136.394 -101.728 91.144 -84.2315 129.602 304.335 121.971 275.152 -102.678 PRESSAVG: 2050200 -10.7965 18.3951 -8.25224 18.3951 -3.71267 29.4245 -8.25229 29.4245 17.3542 GPRESSAVG: 2050200 -10.4797 20.0403 -7.83441 17.9635 -4.87198 29.9229 -10.7572 29.1698 17.293 TIMING: 2050200 CPU: 6480.61, 0.00316273/step Wall: 6480.61, 0.00316273/step, 2.59151 hours remaining, 235.472656 MB of memory in use. ENERGY: 2050200 3981.1899 20456.4048 14569.3049 259.4187 -203683.3763 3013.6029 0.0000 0.0000 52206.9341 -109196.5211 300.0340 -161403.4552 -108828.9312 299.4481 -64.1841 -36.4898 762052.6145 0.9484 0.6471 PRESSURE: 2050400 -268.81 148.478 142.569 148.477 -701.412 27.9889 142.568 27.9891 -211.735 GPRESSURE: 2050400 -324.671 119.284 57.2465 16.1985 -560.4 47.9657 48.4681 22.1521 -210.815 PRESSAVG: 2050400 7.91797 -11.7261 -32.559 -11.7262 -10.4405 51.3464 -32.559 51.3464 -18.4019 GPRESSAVG: 2050400 6.53058 -13.2457 -32.0288 -10.347 -8.34883 49.6339 -30.2932 50.5586 -18.7442 TIMING: 2050400 CPU: 6481.24, 0.00314873/step Wall: 6481.24, 0.00314873/step, 2.57986 hours remaining, 235.472656 MB of memory in use. ENERGY: 2050400 4051.8392 20402.5556 14554.7439 240.8289 -202996.7292 2458.5792 0.0000 0.0000 52218.6060 -109069.5763 300.1010 -161288.1823 -108707.6333 299.5811 -393.9857 -365.2951 761695.6384 -6.9748 -6.8541 PRESSURE: 2050600 261.432 23.7799 75.8572 23.78 92.7805 -288.593 75.8573 -288.594 -92.0963 GPRESSURE: 2050600 313.376 51.995 58.2584 -66.6482 156.219 -135.239 -28.0958 -103.708 -131.887 PRESSAVG: 2050600 -17.1168 37.3938 -42.6495 37.3938 -14.133 59.8082 -42.6494 59.8082 2.61192 GPRESSAVG: 2050600 -16.2493 39.3613 -44.5081 36.5753 -14.2257 62.3525 -43.3376 60.4721 1.75748 TIMING: 2050600 CPU: 6481.87, 0.0031525/step Wall: 6481.87, 0.0031525/step, 2.58278 hours remaining, 235.472656 MB of memory in use. ENERGY: 2050600 3995.1029 20555.5470 14482.4716 253.7425 -203495.8854 2910.4879 0.0000 0.0000 52098.2717 -109200.2617 299.4095 -161298.5334 -108834.4431 299.9977 87.3720 112.5692 760914.5762 -9.5460 -9.5725 PRESSURE: 2050800 140.432 -168.196 158.624 -168.196 -202.067 89.6714 158.624 89.6711 -124.894 GPRESSURE: 2050800 246.096 -165.488 166.347 -173.077 -264.472 47.6648 233.364 -23.1056 -93.6578 PRESSAVG: 2050800 42.5803 66.6553 8.37145 66.6554 -3.2205 -11.8092 8.37143 -11.8092 16.6861 GPRESSAVG: 2050800 43.2883 69.2422 11.2949 65.9091 -4.22064 -12.8577 9.85675 -11.3671 17.1384 TIMING: 2050800 CPU: 6482.51, 0.00316742/step Wall: 6482.51, 0.00316742/step, 2.59482 hours remaining, 235.472656 MB of memory in use. ENERGY: 2050800 4020.1019 20603.5903 14500.6252 264.4184 -203604.2011 2706.8359 0.0000 0.0000 52439.6783 -109068.9511 301.3716 -161508.6294 -108712.3283 299.6462 -62.1762 -37.3448 760898.4574 18.6820 18.7354 PRESSURE: 2051000 14.7169 3.94397 224.927 3.94378 -121.838 146.254 224.926 146.254 -86.5369 GPRESSURE: 2051000 23.477 46.3544 273.763 -84.2273 -97.6927 185.153 394.886 21.611 -42.4577 PRESSAVG: 2051000 26.9453 27.2719 39.2979 27.2718 -27.8703 37.5437 39.2979 37.5437 -8.84796 GPRESSAVG: 2051000 27.5121 23.4394 37.6742 28.8328 -28.2085 38.2268 38.197 36.1833 -8.50867 TIMING: 2051000 CPU: 6483.14, 0.00315313/step Wall: 6483.14, 0.00315313/step, 2.58294 hours remaining, 235.472656 MB of memory in use. ENERGY: 2051000 4072.8736 20540.8932 14516.0869 244.8431 -202686.6368 2317.9581 0.0000 0.0000 51916.8390 -109077.1429 298.3668 -160993.9819 -108714.1207 300.0798 -64.5526 -38.8911 762156.4211 -3.2577 -3.0684 PRESSURE: 2051200 466.078 109.654 -25.3694 109.653 -412.898 81.4472 -25.3689 81.4479 -258.98 GPRESSURE: 2051200 339.45 -3.86707 -4.84052 -18.7644 -295.947 167.588 -127.118 41.8059 -157.798 PRESSAVG: 2051200 59.0805 7.97833 53.1564 7.97835 -17.777 19.0357 53.1564 19.0357 -2.76037 GPRESSAVG: 2051200 58.8844 9.02009 53.5815 7.05825 -18.0485 18.9383 52.6037 19.8526 -2.10268 TIMING: 2051200 CPU: 6483.77, 0.00315342/step Wall: 6483.77, 0.00315342/step, 2.583 hours remaining, 235.472656 MB of memory in use. ENERGY: 2051200 4044.0222 20480.6613 14498.1104 248.3316 -203391.8321 2731.8674 0.0000 0.0000 52082.6405 -109306.1987 299.3197 -161388.8392 -108943.9274 299.6883 -68.6001 -38.0986 761599.2278 12.8477 12.9111 PRESSURE: 2051400 -57.0743 -72.1784 -21.3978 -72.1779 95.4733 -216.433 -21.3974 -216.433 55.8194 GPRESSURE: 2051400 57.3702 -153.088 -22.5192 8.01688 24.1005 -200.435 51.926 -52.8082 72.0817 PRESSAVG: 2051400 9.97383 -1.32041 20.7296 -1.32033 1.31343 77.9296 20.7296 77.9296 -7.88903 GPRESSAVG: 2051400 8.2892 -1.3426 20.9743 -0.586347 3.63501 80.0662 20.1343 77.4771 -8.75966 TIMING: 2051400 CPU: 6484.4, 0.00315599/step Wall: 6484.4, 0.00315599/step, 2.58493 hours remaining, 235.472656 MB of memory in use. ENERGY: 2051400 3937.4720 20514.8444 14475.1133 245.4571 -203191.3312 2409.9332 0.0000 0.0000 52229.9709 -109378.5403 300.1664 -161608.5112 -109013.2917 298.8676 31.4061 51.1842 762173.2541 1.1327 1.0549 PRESSURE: 2051600 153.503 -60.6019 -5.7493 -60.6028 -288.476 33.4393 -5.74983 33.4396 -92.28 GPRESSURE: 2051600 162.985 -46.8184 7.32186 54.9289 -256.269 -14.3494 -99.871 32.2634 -45.2012 PRESSAVG: 2051600 21.1456 -1.76147 -1.39852 -1.7615 -34.2025 -32.5316 -1.39856 -32.5316 -13.3324 GPRESSAVG: 2051600 21.398 -1.61946 -3.82731 -2.58368 -35.0354 -34.6312 0.701828 -32.5949 -12.3309 TIMING: 2051600 CPU: 6485.03, 0.00315028/step Wall: 6485.03, 0.00315028/step, 2.58008 hours remaining, 235.472656 MB of memory in use. ENERGY: 2051600 3964.1991 20454.3782 14557.9704 244.6962 -203189.5145 2520.0917 0.0000 0.0000 52013.6528 -109434.5261 298.9232 -161448.1789 -109070.9494 298.8507 -75.7508 -46.1620 761095.0967 -8.7964 -8.6561 PRESSURE: 2051800 65.8158 -86.6911 29.9786 -86.6912 142.669 137.422 29.9786 137.421 36.6865 GPRESSURE: 2051800 9.22025 -8.75084 70.7437 -24.4895 314.289 125.186 -159.121 186.079 16.031 PRESSAVG: 2051800 76.833 11.9686 56.7908 11.9685 -32.3052 -21.5737 56.7907 -21.5737 20.2959 GPRESSAVG: 2051800 78.5145 11.5171 57.831 12.3519 -33.6528 -21.2636 55.2273 -20.7312 20.2658 TIMING: 2051800 CPU: 6485.66, 0.00314208/step Wall: 6485.66, 0.00314208/step, 2.57318 hours remaining, 235.472656 MB of memory in use. ENERGY: 2051800 4028.4844 20502.5665 14490.9418 265.0291 -203218.9163 2797.0172 0.0000 0.0000 51773.7316 -109361.1457 297.5443 -161134.8773 -109012.7566 298.7027 81.7238 113.1799 761358.5335 21.6079 21.7092 PRESSURE: 2052000 57.9589 60.5712 -29.629 60.5716 -366.321 178.891 -29.6285 178.891 188.457 GPRESSURE: 2052000 61.8894 65.9869 -11.7014 50.5796 -295.74 130.177 -212.099 124.425 214.479 PRESSAVG: 2052000 43.6107 -0.509874 -0.558972 -0.509876 -8.48118 -3.20989 -0.55889 -3.20981 -0.856018 GPRESSAVG: 2052000 42.4698 0.202658 0.817723 0.376041 -7.0533 -4.16464 -0.262809 -3.77738 -0.658283 TIMING: 2052000 CPU: 6486.29, 0.00314469/step Wall: 6486.29, 0.00314469/step, 2.57515 hours remaining, 235.472656 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: 2052000 3984.8445 20563.5357 14559.7877 251.6799 -203155.4627 2614.4620 0.0000 0.0000 51844.4509 -109336.7020 297.9508 -161181.1529 -108983.0609 298.9292 -39.9684 -6.4570 762059.7385 11.4245 11.5861 PRESSURE: 2052200 116.522 60.4251 180.02 60.4278 -131.335 -266.681 180.02 -266.682 332.929 GPRESSURE: 2052200 208.301 42.3836 179.124 -5.45495 -87.0952 -99.9624 81.2356 -206.103 297.429 PRESSAVG: 2052200 21.9962 -0.295378 15.3204 -0.295355 -45.5878 -27.1932 15.3205 -27.1931 -5.74087 GPRESSAVG: 2052200 21.7819 -0.953349 15.0034 -2.46591 -44.9663 -24.3746 14.4215 -27.517 -6.14802 TIMING: 2052200 CPU: 6486.92, 0.0031565/step Wall: 6486.92, 0.0031565/step, 2.58465 hours remaining, 235.472656 MB of memory in use. ENERGY: 2052200 4080.2150 20561.2226 14506.7809 232.4971 -203707.3685 2864.2493 0.0000 0.0000 52048.6384 -109413.7651 299.1242 -161462.4034 -109050.5177 298.5728 106.0389 139.5447 760247.4902 -9.7775 -9.7775 LDB: ============= START OF LOAD BALANCING ============== 6499.45 LDB: ============== END OF LOAD BALANCING =============== 6499.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6499.45 LDB: ============= START OF LOAD BALANCING ============== 6499.77 LDB: Largest compute 7054 load 0.029758 is 15.2% of average load 0.195550 LDB: Average compute 0.004378 is 2.2% of average load 0.195550 LDB: TIME 6499.77 LOAD: AVG 0.19555 MAX 0.213929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.305 MB LDB: TIME 6499.77 LOAD: AVG 0.19555 MAX 0.213929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.309 MB LDB: TIME 6499.77 LOAD: AVG 0.19555 MAX 0.213929 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.309 MB LDB: ============== END OF LOAD BALANCING =============== 6499.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6499.78 PRESSURE: 2052400 68.1822 -67.279 22.8195 -67.2791 82.3142 -181.225 22.8198 -181.225 89.5285 GPRESSURE: 2052400 147.433 -6.23895 71.9816 -3.06537 136.923 -234.98 12.8632 -184.517 42.065 PRESSAVG: 2052400 86.2984 -3.46676 20.9047 -3.4667 -61.8306 -25.4252 20.9047 -25.4252 1.01114 GPRESSAVG: 2052400 87.0964 -3.12594 20.544 -1.81128 -62.6659 -27.9363 23.863 -21.7897 0.9862 TIMING: 2052400 CPU: 6487.56, 0.0032191/step Wall: 6487.56, 0.0032191/step, 2.63573 hours remaining, 237.316406 MB of memory in use. ENERGY: 2052400 4033.4874 20572.4480 14510.3604 252.2054 -203748.3795 2821.6518 0.0000 0.0000 51947.6551 -109610.5713 298.5439 -161558.2265 -109251.1168 298.8006 80.0083 108.8071 760924.4536 8.4930 8.4722 PRESSURE: 2052600 -135.483 77.906 -204.075 77.9067 -181.788 204.84 -204.074 204.839 -364.059 GPRESSURE: 2052600 -114.978 114.549 -199.071 169.386 -143.084 201.847 -247.183 399.933 -337.045 PRESSAVG: 2052600 25.0147 3.66488 2.34603 3.66486 -26.4894 28.5393 2.34605 28.5392 -4.34763 GPRESSAVG: 2052600 24.8257 2.76815 2.03144 2.30905 -26.9258 29.683 0.918584 25.6977 -3.60058 TIMING: 2052600 CPU: 6488.19, 0.00314079/step Wall: 6488.19, 0.00314079/step, 2.57143 hours remaining, 237.316406 MB of memory in use. ENERGY: 2052600 3971.9431 20514.1774 14545.6810 260.2919 -203344.5906 2584.5627 0.0000 0.0000 51819.6942 -109648.2403 297.8085 -161467.9345 -109286.4320 298.2352 -227.1103 -198.3689 762064.6163 -1.9408 -1.9002 PRESSURE: 2052800 95.6492 198.628 3.79557 198.628 90.2112 217.496 3.79616 217.496 132.883 GPRESSURE: 2052800 54.0714 149.245 11.5778 36.1803 135.351 226.835 36.7169 129.88 212.472 PRESSAVG: 2052800 51.4588 53.7675 -56.0641 53.7675 -71.7805 10.7686 -56.0642 10.7686 27.6216 GPRESSAVG: 2052800 51.059 54.3568 -55.8344 54.9497 -70.8673 10.7808 -57.2909 10.9775 27.0272 TIMING: 2052800 CPU: 6488.82, 0.00315889/step Wall: 6488.82, 0.00315889/step, 2.58608 hours remaining, 237.460938 MB of memory in use. ENERGY: 2052800 4000.9326 20474.8825 14415.6959 243.2856 -203263.1150 2616.0435 0.0000 0.0000 51834.8398 -109677.4350 297.8955 -161512.2748 -109317.3543 298.5343 106.2479 133.9647 763317.6220 2.4333 2.4063 PRESSURE: 2053000 -246.936 91.486 240.867 91.4868 -94.4491 -126.004 240.866 -126.004 -45.1564 GPRESSURE: 2053000 -245.93 134.826 268.389 44.0537 -0.258118 -154.777 161.959 -204.465 -54.1437 PRESSAVG: 2053000 -28.3186 31.9732 -7.66641 31.9733 33.4427 49.5973 -7.66645 49.5973 12.9934 GPRESSAVG: 2053000 -29.0078 33.9334 -8.57314 32.6565 33.556 48.1602 -6.98519 53.2233 13.205 TIMING: 2053000 CPU: 6489.45, 0.00313799/step Wall: 6489.45, 0.00313799/step, 2.56879 hours remaining, 237.460938 MB of memory in use. ENERGY: 2053000 4033.1794 20586.8947 14507.0703 240.5094 -203104.3730 2388.5239 0.0000 0.0000 51569.8040 -109778.3913 296.3724 -161348.1952 -109432.5463 298.4835 -128.8472 -100.1107 761887.6844 6.0392 5.9177 PRESSURE: 2053200 196.899 -66.1817 -14.0213 -66.1821 136.898 62.2212 -14.022 62.2226 -293.414 GPRESSURE: 2053200 231.795 -3.60255 -60.2768 -60.636 146.092 59.7796 77.3719 0.307102 -265.196 PRESSAVG: 2053200 -0.493128 -22.2165 23.853 -22.2165 -30.2826 -8.84691 23.853 -8.8469 0.902915 GPRESSAVG: 2053200 0.133844 -21.5281 25.1079 -23.0082 -30.9034 -9.23553 27.6206 -11.6776 0.359317 TIMING: 2053200 CPU: 6490.08, 0.00315406/step Wall: 6490.08, 0.00315406/step, 2.58178 hours remaining, 237.460938 MB of memory in use. ENERGY: 2053200 4003.8191 20428.9078 14514.9571 250.5287 -203171.4810 2465.5301 0.0000 0.0000 52149.2361 -109358.5021 299.7024 -161507.7382 -109002.4601 298.6903 13.4608 37.5640 760821.8469 -9.9576 -10.1367 PRESSURE: 2053400 128.831 -223.559 17.4328 -223.559 -122.584 101.723 17.4328 101.721 149.932 GPRESSURE: 2053400 108.372 -166.721 28.0257 -178.027 -25.9344 178.044 0.738946 39.893 159.457 PRESSAVG: 2053400 18.4423 -24.1245 -16.5402 -24.1245 7.16486 -47.3565 -16.5402 -47.3565 -8.65718 GPRESSAVG: 2053400 17.5369 -24.7794 -16.4488 -24.4043 5.68626 -44.1541 -21.4884 -46.0484 -6.43559 TIMING: 2053400 CPU: 6490.71, 0.00316632/step Wall: 6490.71, 0.00316632/step, 2.59163 hours remaining, 237.460938 MB of memory in use. ENERGY: 2053400 3936.1840 20659.4574 14472.2107 267.2730 -203124.5294 2562.3707 0.0000 0.0000 51724.5435 -109502.4901 297.2617 -161227.0335 -109141.0639 298.5596 52.0598 80.6316 762642.1947 5.6500 5.5959 PRESSURE: 2053600 212.777 -137.365 188.043 -137.365 173.906 -21.4942 188.043 -21.494 -114.263 GPRESSURE: 2053600 185.469 -172.64 196.65 -34.2823 337.045 -136.983 216.455 -86.951 -168.462 PRESSAVG: 2053600 -17.8282 -10.4793 7.86164 -10.4792 33.1717 0.207179 7.86157 0.207172 8.98041 GPRESSAVG: 2053600 -17.896 -12.0706 7.1935 -9.68996 33.7001 -0.0338408 6.94218 -2.59399 7.85581 TIMING: 2053600 CPU: 6491.34, 0.00315253/step Wall: 6491.34, 0.00315253/step, 2.58017 hours remaining, 237.667969 MB of memory in use. ENERGY: 2053600 3961.1330 20652.4559 14508.7873 273.4399 -203543.5518 2716.0830 0.0000 0.0000 51843.6769 -109587.9758 297.9463 -161431.6527 -109211.0630 299.2309 90.8067 118.0173 760710.7285 8.1080 7.8866 PRESSURE: 2053800 -216.652 -187.515 -209.158 -187.515 28.1006 -119.216 -209.158 -119.216 -293.135 GPRESSURE: 2053800 -94.7349 -230.084 -262.109 -127.809 -16.8122 -161.425 -259.93 -52.3964 -292.201 PRESSAVG: 2053800 -38.6194 -48.3681 7.82083 -48.3681 -34.8594 -11.3625 7.82083 -11.3625 9.53295 GPRESSAVG: 2053800 -36.8258 -46.79 7.06295 -48.926 -35.3744 -12.473 9.40772 -10.0184 8.44322 TIMING: 2053800 CPU: 6491.97, 0.00314441/step Wall: 6491.97, 0.0031444/step, 2.57335 hours remaining, 237.667969 MB of memory in use. ENERGY: 2053800 3998.9819 20701.0001 14439.1441 264.5684 -203163.3234 2601.2619 0.0000 0.0000 51718.9737 -109439.3933 297.2297 -161158.3670 -109079.3952 298.8407 -160.5619 -134.5825 761994.6751 -21.3153 -21.2523 PRESSURE: 2054000 -78.1555 -101.96 118.59 -101.96 79.9975 370.164 118.591 370.166 -117.23 GPRESSURE: 2054000 -48.6339 -55.7149 200.555 -150.937 100.182 388.638 43.21 334.694 -83.7654 PRESSAVG: 2054000 -35.2083 22.2886 1.43574 22.2887 6.28036 12.5133 1.43565 12.5133 -33.0847 GPRESSAVG: 2054000 -37.0938 21.789 3.44676 22.6758 7.86746 12.316 0.799537 13.7444 -32.9144 TIMING: 2054000 CPU: 6492.6, 0.00314691/step Wall: 6492.6, 0.00314691/step, 2.57522 hours remaining, 237.667969 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: 2054000 3908.5309 20599.5800 14502.1390 255.6166 -203540.0876 2707.1930 0.0000 0.0000 52062.5394 -109504.4887 299.2041 -161567.0281 -109150.8279 298.8152 -38.4627 -10.7390 760583.0724 -20.6709 -20.7136 PRESSURE: 2054200 -288.19 54.3095 37.4258 54.309 -456.559 190.619 37.4256 190.62 -112.624 GPRESSURE: 2054200 -241.066 39.3419 15.7282 25.7301 -432.443 172.927 79.8974 216.246 -99.249 PRESSAVG: 2054200 -21.4617 -29.1798 -22.1117 -29.1798 -40.5002 35.694 -22.1117 35.694 -5.69991 GPRESSAVG: 2054200 -21.8285 -29.3401 -25.4544 -28.6098 -40.6498 36.032 -20.6545 35.943 -5.24051 TIMING: 2054200 CPU: 6493.23, 0.00313815/step Wall: 6493.23, 0.00313815/step, 2.56788 hours remaining, 237.667969 MB of memory in use. ENERGY: 2054200 4026.5411 20543.5123 14427.4011 268.7795 -203173.3678 2400.6872 0.0000 0.0000 52035.5086 -109470.9380 299.0488 -161506.4466 -109111.1283 298.6914 -285.7910 -257.5860 762505.0433 -22.5539 -22.5729 PRESSURE: 2054400 -211.793 25.7586 -135.627 25.758 130.905 39.0173 -135.627 39.0177 148.939 GPRESSURE: 2054400 -73.393 -82.2037 -187.199 54.137 117.589 118.702 -169.759 99.4104 118.058 PRESSAVG: 2054400 26.7045 -1.12166 4.01658 -1.12168 -12.9422 -8.52743 4.01655 -8.52738 -5.95013 GPRESSAVG: 2054400 27.7461 -0.0698865 6.91272 -1.94836 -12.6781 -9.60486 2.66197 -9.24788 -6.61541 TIMING: 2054400 CPU: 6493.86, 0.0031342/step Wall: 6493.86, 0.0031342/step, 2.56447 hours remaining, 237.667969 MB of memory in use. ENERGY: 2054400 3993.6812 20626.0713 14447.0557 238.5309 -203509.9382 2855.5503 0.0000 0.0000 52038.0720 -109310.9768 299.0635 -161349.0489 -108951.6933 298.6633 22.6836 54.0846 761283.3867 2.6041 2.8175 PRESSURE: 2054600 -144.173 101.117 -263.548 101.117 -62.9171 30.6049 -263.548 30.6046 -30.8205 GPRESSURE: 2054600 32.2988 104.738 -217.997 -21.0994 -171.023 6.36966 -179.917 155.471 -10.1656 PRESSAVG: 2054600 -8.42795 -34.0695 -12.7801 -34.0695 -18.8347 1.93306 -12.7801 1.93306 4.99443 GPRESSAVG: 2054600 -8.35205 -35.1756 -13.0504 -34.027 -19.6563 3.14861 -12.6499 1.94099 5.73945 TIMING: 2054600 CPU: 6494.48, 0.00312989/step Wall: 6494.48, 0.00312989/step, 2.56077 hours remaining, 237.667969 MB of memory in use. ENERGY: 2054600 3957.8639 20444.2394 14441.6314 260.8137 -203231.9397 2478.9050 0.0000 0.0000 52246.5857 -109401.9007 300.2618 -161648.4864 -109031.4434 299.0428 -79.3036 -49.6300 763662.9958 -7.4227 -7.4230 PRESSURE: 2054800 -85.4831 -29.4695 -48.2532 -29.4697 -26.5764 141.205 -48.2537 141.206 -32.9655 GPRESSURE: 2054800 22.8321 -20.8074 -4.1799 -64.2583 -91.68 63.0262 -35.3975 198.208 24.4343 PRESSAVG: 2054800 -10.1502 41.7911 39.4888 41.7911 -22.9047 -34.8661 39.4888 -34.8661 -9.31404 GPRESSAVG: 2054800 -8.71973 43.6789 38.5057 43.284 -23.1788 -34.782 38.1968 -35.4865 -10.1667 TIMING: 2054800 CPU: 6495.11, 0.00313441/step Wall: 6495.11, 0.00313441/step, 2.5643 hours remaining, 237.667969 MB of memory in use. ENERGY: 2054800 4020.6703 20532.4316 14564.2530 240.1482 -203618.1289 2761.6352 0.0000 0.0000 52042.6063 -109456.3844 299.0896 -161498.9906 -109090.4051 298.6034 -48.3417 -14.8045 762021.7678 -14.1230 -14.0217 PRESSURE: 2055000 121.718 47.7981 -107.629 47.7985 -158.282 -396.673 -107.629 -396.674 -310.371 GPRESSURE: 2055000 31.0186 79.9729 -154.419 39.0083 -44.3738 -385.484 -110.902 -377.453 -249.756 PRESSAVG: 2055000 -3.61454 33.3323 -30.4077 33.3323 -24.2676 -51.9048 -30.4078 -51.9048 15.3897 GPRESSAVG: 2055000 -5.87574 33.0724 -29.7011 29.5663 -22.0201 -54.2105 -30.0962 -49.7297 15.788 TIMING: 2055000 CPU: 6495.74, 0.00314794/step Wall: 6495.74, 0.00314794/step, 2.57519 hours remaining, 237.667969 MB of memory in use. ENERGY: 2055000 3982.6511 20589.6964 14466.8342 250.6268 -203510.4305 2538.9223 0.0000 0.0000 52383.1094 -109298.5902 301.0464 -161681.6996 -108934.8903 299.4866 -115.6448 -87.7036 762640.7816 -4.1642 -4.0360 PRESSURE: 2055200 -144.87 3.06548 165.773 3.06459 214.105 130.046 165.773 130.046 -48.816 GPRESSURE: 2055200 -157.638 -18.5364 87.554 -7.64888 241.288 100.055 247.518 76.6937 1.81544 PRESSAVG: 2055200 1.75685 13.9197 -30.7155 13.9197 -20.8593 -46.9884 -30.7155 -46.9885 24.6801 GPRESSAVG: 2055200 2.84727 13.0485 -31.0569 16.3449 -22.3007 -45.4751 -28.8791 -48.0641 25.5959 TIMING: 2055200 CPU: 6496.36, 0.00313017/step Wall: 6496.36, 0.00313017/step, 2.56048 hours remaining, 237.667969 MB of memory in use. ENERGY: 2055200 4021.5154 20555.9140 14410.4793 240.1137 -203285.2191 2561.8182 0.0000 0.0000 52088.3707 -109407.0078 299.3526 -161495.3784 -109035.2121 298.9577 6.8065 28.4884 762494.3060 1.8592 2.0475 PRESSURE: 2055400 -42.9775 -30.655 -73.1425 -30.6549 -163.413 46.0807 -73.1426 46.0821 -187.89 GPRESSURE: 2055400 -40.8106 -11.1761 -56.523 57.801 -105.516 55.2146 -66.3037 73.3364 -127.004 PRESSAVG: 2055400 34.9126 17.8068 -13.0385 17.8068 -79.911 -39.7456 -13.0385 -39.7456 15.199 GPRESSAVG: 2055400 34.8349 17.4859 -12.5923 18.3985 -79.112 -39.7358 -14.0574 -41.1586 14.8772 TIMING: 2055400 CPU: 6496.99, 0.00314377/step Wall: 6496.99, 0.00314377/step, 2.57143 hours remaining, 237.667969 MB of memory in use. ENERGY: 2055400 3978.4431 20486.8788 14449.8375 240.1957 -203177.0663 2641.5252 0.0000 0.0000 51847.2370 -109532.9490 297.9668 -161380.1860 -109159.6361 298.3824 -131.4269 -91.1102 763433.4420 -9.9331 -9.7999 PRESSURE: 2055600 303.824 46.5012 161.976 46.5009 -61.6502 -131.827 161.976 -131.827 -107.305 GPRESSURE: 2055600 267.962 45.8066 168.602 -187.362 0.582827 -147.436 217.868 -159.139 -53.1797 PRESSAVG: 2055600 52.2762 -13.4828 17.7144 -13.4827 -31.6499 -53.7087 17.7143 -53.7087 16.0817 GPRESSAVG: 2055600 50.7946 -10.8306 18.2391 -15.0102 -31.1088 -54.5025 18.0493 -53.032 16.926 TIMING: 2055600 CPU: 6497.63, 0.00315729/step Wall: 6497.63, 0.00315729/step, 2.58231 hours remaining, 237.667969 MB of memory in use. ENERGY: 2055600 4018.4801 20396.2719 14508.3236 252.4403 -203037.6982 2618.8003 0.0000 0.0000 51990.1914 -109253.1906 298.7883 -161243.3820 -108893.7310 298.7415 44.9562 71.7885 761809.7314 12.2360 12.2039 PRESSURE: 2055800 368.564 -79.4634 -77.4746 -79.4635 59.1431 -6.45882 -77.4746 -6.45875 220.864 GPRESSURE: 2055800 380.041 -45.712 -53.3592 -88.2395 82.5698 56.7194 13.4297 -26.1921 254.415 PRESSAVG: 2055800 -18.4183 -63.968 -12.78 -63.968 0.293595 -22.04 -12.7799 -22.0401 -14.0127 GPRESSAVG: 2055800 -17.727 -64.3799 -13.1075 -62.5924 0.382903 -21.4727 -12.434 -21.1617 -14.9302 TIMING: 2055800 CPU: 6498.25, 0.0031337/step Wall: 6498.25, 0.0031337/step, 2.56284 hours remaining, 237.667969 MB of memory in use. ENERGY: 2055800 3953.1104 20503.2403 14457.7114 249.8694 -203588.2458 3028.1789 0.0000 0.0000 52024.0569 -109372.0785 298.9830 -161396.1354 -108999.5497 299.0350 216.1903 239.0086 762448.7433 -10.7124 -10.7581 PRESSURE: 2056000 -124.447 271.538 -116.604 271.537 -65.3149 -7.87407 -116.604 -7.87495 121.738 GPRESSURE: 2056000 -9.66643 201.801 -121.655 262.104 -83.3117 78.7772 -22.2569 -92.4896 100.051 PRESSAVG: 2056000 12.9446 17.1931 13.7408 17.1932 -37.3544 -18.1472 13.7408 -18.1472 6.29068 GPRESSAVG: 2056000 13.8633 15.3917 14.0703 18.2779 -37.6313 -17.312 13.2449 -19.5127 6.11048 TIMING: 2056000 CPU: 6498.88, 0.00313279/step Wall: 6498.88, 0.00313279/step, 2.56193 hours remaining, 237.667969 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: 2056000 3917.4635 20655.4478 14557.4745 244.5456 -203171.9888 2662.6971 0.0000 0.0000 51931.6378 -109202.7225 298.4518 -161134.3603 -108853.2168 298.9136 -22.6748 2.3576 763447.6136 -6.0397 -5.8858 PRESSURE: 2056200 -46.4147 132.454 42.6968 132.454 -478.941 183.041 42.6958 183.041 142.684 GPRESSURE: 2056200 -66.1558 77.8386 97.8614 161.468 -348.356 163.77 -70.8963 187.105 103.594 PRESSAVG: 2056200 22.0257 -1.58868 -9.87153 -1.58865 -36.5074 32.2107 -9.87162 32.2107 -15.0341 GPRESSAVG: 2056200 21.593 -1.42232 -9.1427 -0.495203 -36.0882 32.5401 -11.2443 31.5098 -15.1662 TIMING: 2056200 CPU: 6499.51, 0.00316272/step Wall: 6499.51, 0.00316272/step, 2.58622 hours remaining, 237.667969 MB of memory in use. ENERGY: 2056200 4056.2880 20575.1073 14498.4844 255.2520 -203045.1249 2721.8217 0.0000 0.0000 51802.9453 -109135.2260 297.7122 -160938.1713 -108763.1219 298.6701 -127.5569 -103.6394 764923.4192 -9.8386 -9.8871 LDB: ============= START OF LOAD BALANCING ============== 6512.04 LDB: ============== END OF LOAD BALANCING =============== 6512.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6512.05 LDB: ============= START OF LOAD BALANCING ============== 6512.36 LDB: Largest compute 7057 load 0.029367 is 15.0% of average load 0.195497 LDB: Average compute 0.004372 is 2.2% of average load 0.195497 LDB: TIME 6512.37 LOAD: AVG 0.195497 MAX 0.21665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 6512.37 LOAD: AVG 0.195497 MAX 0.21665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 6512.37 LOAD: AVG 0.195497 MAX 0.21665 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 6512.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6512.37 PRESSURE: 2056400 250.369 -251.944 -168.485 -251.944 -23.1129 106.349 -168.486 106.349 132.205 GPRESSURE: 2056400 275.693 -157.98 -267.931 -97.5989 -57.1253 106.666 -172.883 63.6804 213.143 PRESSAVG: 2056400 64.8064 3.72501 -2.07245 3.72502 -35.048 14.8417 -2.07246 14.8417 -4.61465 GPRESSAVG: 2056400 64.9121 4.39677 -2.75667 1.96065 -35.325 14.7524 -0.692408 15.7252 -5.12414 TIMING: 2056400 CPU: 6500.16, 0.00322267/step Wall: 6500.16, 0.00322267/step, 2.63507 hours remaining, 234.804688 MB of memory in use. ENERGY: 2056400 3912.7364 20450.6160 14483.4554 258.4751 -202870.7242 2562.1480 0.0000 0.0000 51906.7400 -109296.5532 298.3087 -161203.2932 -108927.9587 298.7504 119.8205 143.9033 762878.7254 8.3812 8.1543 PRESSURE: 2056600 192.487 110.511 110.708 110.511 -71.2383 -172.255 110.708 -172.255 -217.781 GPRESSURE: 2056600 195.133 13.8402 83.85 102.877 -2.06333 -100.742 30.4595 -276.171 -210.72 PRESSAVG: 2056600 86.7249 -36.6888 -52.0889 -36.6887 -24.4119 -4.24107 -52.089 -4.24104 19.2492 GPRESSAVG: 2056600 86.3144 -37.8102 -51.1438 -37.3648 -24.9101 -4.87139 -53.8078 -2.9824 20.081 TIMING: 2056600 CPU: 6500.79, 0.0031622/step Wall: 6500.79, 0.0031622/step, 2.58545 hours remaining, 235.007812 MB of memory in use. ENERGY: 2056600 4030.1641 20477.9376 14382.6986 232.1035 -202909.0085 2421.3642 0.0000 0.0000 52093.2565 -109271.4840 299.3807 -161364.7405 -108901.0809 298.9062 -32.1772 -5.8836 762954.8554 27.1874 27.1617 PRESSURE: 2056800 -160.845 -115.208 60.3641 -115.208 -26.8502 7.06165 60.3635 7.06051 -74.4603 GPRESSURE: 2056800 -71.3185 -236.64 125.667 -122.49 -27.0189 36.0971 139.333 -71.3004 -72.605 PRESSAVG: 2056800 33.7206 -48.5671 20.4074 -48.567 -15.3624 -2.78646 20.4074 -2.78651 4.66271 GPRESSAVG: 2056800 34.9668 -49.1055 18.9078 -47.2914 -16.2589 -1.75327 19.2924 -4.59374 4.43605 TIMING: 2056800 CPU: 6501.42, 0.00315106/step Wall: 6501.42, 0.00315106/step, 2.57616 hours remaining, 234.996094 MB of memory in use. ENERGY: 2056800 3987.3338 20483.5860 14423.5410 249.7928 -202979.0425 2532.2620 0.0000 0.0000 51987.8234 -109314.7036 298.7747 -161302.5270 -108957.5635 298.5820 -87.3852 -56.9808 763077.9260 7.6736 7.7146 PRESSURE: 2057000 -198.687 73.0996 51.3846 73.1 -391.899 -201.771 51.384 -201.77 -130.229 GPRESSURE: 2057000 -136.338 117.745 104.236 95.7391 -410.009 -221.334 94.5387 -132.254 -106.084 PRESSAVG: 2057000 21.4627 27.7839 22.4645 27.7839 -0.10483 23.3421 22.4646 23.342 -15.3899 GPRESSAVG: 2057000 21.2519 27.5659 23.0758 27.1843 -0.0592341 20.7085 23.3711 26.0503 -15.5734 TIMING: 2057000 CPU: 6502.05, 0.00314654/step Wall: 6502.05, 0.00314654/step, 2.5723 hours remaining, 234.996094 MB of memory in use. ENERGY: 2057000 3966.1124 20377.2950 14471.2326 241.8424 -202635.4049 2303.5046 0.0000 0.0000 52222.2754 -109053.1425 300.1221 -161275.4180 -108681.5161 298.9520 -240.2716 -217.4771 762683.3693 1.9893 1.8731 PRESSURE: 2057200 345.335 -172.723 163.097 -172.722 -197.801 91.938 163.097 91.9377 290.877 GPRESSURE: 2057200 286.17 -125.013 145.812 -151.881 -85.2701 186.131 94.7265 254.749 310.749 PRESSAVG: 2057200 40.3483 -15.9705 28.6882 -15.9706 -26.8448 -0.181966 28.6882 -0.18198 -5.9566 GPRESSAVG: 2057200 39.0308 -16.3804 28.0912 -18.5766 -26.7801 1.60302 28.6003 -0.871535 -4.57679 TIMING: 2057200 CPU: 6502.68, 0.00315149/step Wall: 6502.68, 0.00315149/step, 2.57617 hours remaining, 235.007812 MB of memory in use. ENERGY: 2057200 3828.8988 20403.3898 14444.2068 229.8086 -202740.3865 2592.7531 0.0000 0.0000 52265.8499 -108975.4796 300.3726 -161241.3294 -108607.8866 299.2891 146.1371 170.5496 760826.7722 2.5156 2.5580 PRESSURE: 2057400 -148.47 9.00024 52.9268 9.0011 -122.418 -11.5771 52.9264 -11.5777 27.3487 GPRESSURE: 2057400 -130.165 125.784 -14.8524 24.5947 -24.8149 -57.3225 179.496 -130.719 1.08513 PRESSAVG: 2057400 39.4361 -18.3736 44.7169 -18.3735 -82.2196 4.49968 44.7168 4.49969 16.9411 GPRESSAVG: 2057400 39.6925 -15.1338 45.8549 -16.3423 -81.6525 3.63494 44.9963 0.659307 15.9894 TIMING: 2057400 CPU: 6503.31, 0.00315436/step Wall: 6503.31, 0.00315437/step, 2.57834 hours remaining, 235.007812 MB of memory in use. ENERGY: 2057400 3955.0595 20627.6151 14543.8314 234.5905 -203200.9224 2760.2385 0.0000 0.0000 52142.8895 -108936.6979 299.6659 -161079.5874 -108573.4875 299.4195 -81.1798 -51.2982 762397.1181 -8.6141 -8.6569 PRESSURE: 2057600 -32.195 -13.2796 -6.70188 -13.2802 -71.2543 116.011 -6.70167 116.01 -45.2677 GPRESSURE: 2057600 80.6884 -73.548 6.35292 35.5651 -104.599 155.813 -13.7139 130.035 -38.0356 PRESSAVG: 2057600 -11.7432 -39.7776 10.3322 -39.7776 -5.31756 -46.1095 10.3322 -46.1096 9.16016 GPRESSAVG: 2057600 -12.6316 -40.5088 11.4523 -38.4756 -5.44985 -46.158 11.6433 -43.7937 9.96381 TIMING: 2057600 CPU: 6503.94, 0.003163/step Wall: 6503.94, 0.003163/step, 2.58522 hours remaining, 235.007812 MB of memory in use. ENERGY: 2057600 3975.3667 20620.1571 14467.9162 230.7739 -203017.0474 2667.8552 0.0000 0.0000 51929.6365 -109125.3418 298.4403 -161054.9782 -108768.4817 299.2292 -49.5723 -20.6488 765154.4354 -2.6335 -2.7059 PRESSURE: 2057800 68.5084 143.029 13.3532 143.029 177.529 329.118 13.353 329.119 77.9618 GPRESSURE: 2057800 61.3355 99.0316 -24.8263 120.019 292.598 343.51 -3.98779 352.476 50.8352 PRESSAVG: 2057800 32.2745 6.99413 -7.32129 6.99413 -36.6034 3.35 -7.32133 3.35009 -6.23943 GPRESSAVG: 2057800 32.8785 8.7344 -8.40022 5.72774 -35.653 4.48829 -8.14519 0.552956 -7.49683 TIMING: 2057800 CPU: 6504.57, 0.00315504/step Wall: 6504.57, 0.00315504/step, 2.57854 hours remaining, 235.007812 MB of memory in use. ENERGY: 2057800 3964.9844 20647.2479 14474.4193 234.7437 -203701.6999 3226.8526 0.0000 0.0000 52069.8059 -109083.6462 299.2459 -161153.4520 -108722.0511 298.7254 107.9997 134.9229 764619.8653 -3.5228 -3.4238 PRESSURE: 2058000 180.496 110.684 -90.7879 110.685 -297.282 -112.963 -90.7882 -112.963 -98.3765 GPRESSURE: 2058000 195.069 104.874 -162.061 156.893 -207.686 -141.994 -123.578 -110.132 -119.798 PRESSAVG: 2058000 17.9059 -9.7789 -29.1074 -9.77891 -26.8042 -10.7629 -29.1074 -10.763 -8.76805 GPRESSAVG: 2058000 16.7278 -11.3661 -28.0696 -9.26504 -27.0381 -12.1176 -29.0356 -6.92381 -7.49057 TIMING: 2058000 CPU: 6505.21, 0.00317271/step Wall: 6505.21, 0.00317271/step, 2.59281 hours remaining, 235.007812 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: 2058000 3924.1508 20554.1416 14478.6556 227.3846 -203283.2049 2789.7023 0.0000 0.0000 51975.0526 -109334.1172 298.7013 -161309.1699 -108970.8309 299.0159 -71.7211 -44.1382 764575.8724 -5.8888 -5.9336 PRESSURE: 2058200 -193.096 67.0431 77.2938 67.0435 -209.203 -56.3111 77.2924 -56.3115 0.369279 GPRESSURE: 2058200 -88.8203 7.08828 20.6329 105.523 -145.772 -49.2495 73.1194 -80.2559 -69.9181 PRESSAVG: 2058200 -4.87465 -55.4829 -23.0868 -55.4829 5.20691 5.29746 -23.0867 5.29739 -3.87497 GPRESSAVG: 2058200 -4.79978 -54.2589 -23.4024 -56.2171 4.73225 5.48247 -26.5551 4.11353 -3.6405 TIMING: 2058200 CPU: 6505.84, 0.00317746/step Wall: 6505.84, 0.00317746/step, 2.59651 hours remaining, 235.007812 MB of memory in use. ENERGY: 2058200 4007.0569 20490.0862 14446.1235 256.0827 -203180.7787 2604.0191 0.0000 0.0000 51955.2648 -109422.1456 298.5876 -161377.4103 -109060.1459 298.8555 -133.9766 -101.5034 762940.8932 -1.1809 -1.2360 PRESSURE: 2058400 -107.426 -4.13578 203.531 -4.13561 -242.133 117.213 203.531 117.213 42.5515 GPRESSURE: 2058400 -87.5675 92.8007 74.7537 -12.2174 -149.128 223.37 249.654 60.4341 12.1712 PRESSAVG: 2058400 40.867 6.7956 38.8225 6.79569 -27.5277 31.3847 38.8226 31.3849 1.84397 GPRESSAVG: 2058400 40.9254 6.69833 35.5941 8.00861 -27.2151 33.7033 43.7626 30.159 1.42461 TIMING: 2058400 CPU: 6506.48, 0.00318148/step Wall: 6506.48, 0.00318148/step, 2.59962 hours remaining, 235.007812 MB of memory in use. ENERGY: 2058400 3987.5302 20490.1678 14509.8566 238.4957 -203038.3755 2676.0668 0.0000 0.0000 51791.0822 -109345.1762 297.6441 -161136.2584 -108999.1746 298.7274 -102.3359 -74.8415 764825.1766 5.0611 5.0450 PRESSURE: 2058600 -62.4903 145.782 13.9935 145.782 -123.967 77.772 13.9939 77.7715 -7.25146 GPRESSURE: 2058600 11.9921 192.697 -16.0919 113.682 -108.598 147.146 87.4429 -45.0667 -8.45664 PRESSAVG: 2058600 3.01533 7.3375 22.4008 7.33752 -0.579272 -16.6907 22.4007 -16.6907 -3.04244 GPRESSAVG: 2058600 3.75402 6.24604 23.1134 8.90789 -1.04759 -17.6844 22.1015 -15.4034 -3.39172 TIMING: 2058600 CPU: 6507.11, 0.00315265/step Wall: 6507.11, 0.00315265/step, 2.57589 hours remaining, 235.007812 MB of memory in use. ENERGY: 2058600 4012.3307 20587.0447 14525.8655 239.1464 -203521.8022 2561.2259 0.0000 0.0000 52132.8127 -109463.3762 299.6080 -161596.1890 -109106.5615 298.7827 -64.5697 -35.0208 763449.0461 -0.2021 -0.2284 PRESSURE: 2058800 -227.46 31.9273 222.674 31.9281 -54.2771 122.862 222.674 122.862 -32.3337 GPRESSURE: 2058800 -101.896 -4.27608 255.027 144.554 -102.719 235.567 211.544 -16.117 -43.0281 PRESSAVG: 2058800 -10.6782 29.0479 16.2906 29.0479 -3.46971 18.297 16.2906 18.297 0.840925 GPRESSAVG: 2058800 -9.75067 31.107 16.4009 28.5207 -3.75907 16.4793 14.5627 17.9897 0.652761 TIMING: 2058800 CPU: 6507.74, 0.00313845/step Wall: 6507.74, 0.00313845/step, 2.56411 hours remaining, 235.007812 MB of memory in use. ENERGY: 2058800 3958.7401 20515.1541 14488.7265 246.3786 -203343.8294 2649.8054 0.0000 0.0000 52046.7006 -109438.3242 299.1131 -161485.0248 -109070.0324 298.7623 -104.6903 -82.5478 762716.0222 -4.4357 -4.2857 PRESSURE: 2059000 -168.357 -262.002 28.559 -262.002 5.25033 -49.9262 28.5595 -49.9257 61.5465 GPRESSURE: 2059000 -31.0269 -184.898 71.6336 -288.54 -1.72061 -39.0906 99.848 22.7151 21.9499 PRESSAVG: 2059000 10.9614 7.91866 29.1354 7.9186 -13.6683 22.7636 29.1353 22.7636 22.2497 GPRESSAVG: 2059000 9.6991 5.31529 29.4698 7.31347 -11.6891 21.6813 27.2801 22.9096 22.2203 TIMING: 2059000 CPU: 6508.37, 0.00314901/step Wall: 6508.37, 0.00314901/step, 2.57257 hours remaining, 235.007812 MB of memory in use. ENERGY: 2059000 3981.6998 20475.7071 14456.2204 258.2567 -203285.7658 2846.0130 0.0000 0.0000 52065.7869 -109202.0819 299.2228 -161267.8687 -108834.7590 298.7809 -33.8534 -3.5992 764218.4591 6.5143 6.7434 PRESSURE: 2059200 -189.942 -30.9074 -128.905 -30.9074 -274.106 109.01 -128.905 109.01 400.167 GPRESSURE: 2059200 -107.24 11.1145 -153.528 12.4601 -203.259 57.0243 51.7359 201.199 313.766 PRESSAVG: 2059200 34.7582 -11.6469 -8.57845 -11.6469 1.01026 -1.50579 -8.57842 -1.50579 -5.78479 GPRESSAVG: 2059200 34.8333 -10.0808 -8.5345 -11.3176 -0.248085 0.676203 -5.2394 -0.533736 -4.88406 TIMING: 2059200 CPU: 6509, 0.00315156/step Wall: 6509, 0.00315156/step, 2.57448 hours remaining, 235.007812 MB of memory in use. ENERGY: 2059200 3976.0132 20507.5794 14495.5556 247.8759 -203162.4355 2665.6674 0.0000 0.0000 52122.1081 -109147.6359 299.5465 -161269.7440 -108778.7829 299.1269 -21.2939 1.0891 763617.3972 9.9946 9.9004 PRESSURE: 2059400 14.2245 -27.9477 -197.222 -27.9479 -36.2101 -188.066 -197.221 -188.067 -340.61 GPRESSURE: 2059400 122.671 8.1446 -182.509 -92.4732 -45.7298 -203.71 -243.585 -102.979 -359.947 PRESSAVG: 2059400 -30.9702 6.2083 0.983789 6.20827 13.6442 22.6338 0.983753 22.6337 -3.57358 GPRESSAVG: 2059400 -30.4612 4.88178 0.495838 5.83965 14.5101 20.702 -1.06184 22.9266 -4.55305 TIMING: 2059400 CPU: 6509.62, 0.00313054/step Wall: 6509.62, 0.00313054/step, 2.55713 hours remaining, 235.007812 MB of memory in use. ENERGY: 2059400 4064.7563 20633.5252 14487.2003 246.7202 -203769.7881 3126.7212 0.0000 0.0000 52049.8630 -109161.0019 299.1313 -161210.8649 -108803.6626 299.1655 -120.8652 -94.3352 764491.2046 -6.9665 -6.8347 PRESSURE: 2059600 10.0391 5.46367 227.299 5.46384 86.0819 98.4881 227.299 98.4862 223.259 GPRESSURE: 2059600 45.6931 5.57059 223.41 -46.0663 124.978 73.5926 305.201 132.673 241.228 PRESSAVG: 2059600 -27.992 11.8313 -31.955 11.8313 14.3928 12.3488 -31.955 12.3488 3.74092 GPRESSAVG: 2059600 -28.2223 14.5712 -32.3758 11.247 14.0607 13.7992 -32.5708 13.0862 4.29217 TIMING: 2059600 CPU: 6510.25, 0.00314451/step Wall: 6510.25, 0.00314451/step, 2.56837 hours remaining, 235.007812 MB of memory in use. ENERGY: 2059600 4025.8513 20452.5367 14434.0929 229.1121 -203429.1548 2902.1829 0.0000 0.0000 52094.9164 -109290.4625 299.3902 -161385.3789 -108927.6088 298.9648 106.4601 137.2999 762926.1757 -3.2861 -3.2898 PRESSURE: 2059800 44.6828 -28.0558 -178.688 -28.056 -8.10327 -21.5524 -178.689 -21.553 -27.3787 GPRESSURE: 2059800 188.577 -21.5148 -138.568 26.5837 -13.843 -102.08 -102.437 -82.2649 -85.1147 PRESSAVG: 2059800 17.1674 11.1748 -29.5824 11.1748 -1.64686 0.16415 -29.5824 0.164174 10.3295 GPRESSAVG: 2059800 17.8255 8.76318 -29.2325 12.4747 -2.80381 1.2052 -26.8352 -3.84072 10.2774 TIMING: 2059800 CPU: 6510.88, 0.00313979/step Wall: 6510.88, 0.00313979/step, 2.56433 hours remaining, 235.007812 MB of memory in use. ENERGY: 2059800 4007.9507 20553.7317 14490.8455 247.3466 -203276.6335 2729.8840 0.0000 0.0000 51798.4916 -109448.3834 297.6866 -161246.8750 -109093.5889 298.8898 3.0669 29.8732 761688.4201 8.6167 8.4330 PRESSURE: 2060000 19.964 -69.1428 -98.4216 -69.1417 307.833 26.4086 -98.4218 26.409 41.3917 GPRESSURE: 2060000 6.60901 11.3316 -200.72 -62.397 264.768 32.6588 -31.2136 25.9268 178.534 PRESSAVG: 2060000 19.9217 -36.9943 -5.42039 -36.9943 -41.8295 -10.8183 -5.42035 -10.8183 -1.82462 GPRESSAVG: 2060000 18.3302 -34.7491 -4.76897 -39.0513 -39.551 -11.2712 -7.42925 -8.89063 -2.15081 TIMING: 2060000 CPU: 6511.51, 0.00314256/step Wall: 6511.51, 0.00314256/step, 2.56643 hours remaining, 235.007812 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: 2060000 3950.4427 20390.4117 14540.7715 244.7405 -203688.7452 3045.6484 0.0000 0.0000 52236.7153 -109280.0150 300.2051 -161516.7303 -108923.0655 298.8510 123.0631 149.9703 762286.3294 -7.9108 -7.7906 PRESSURE: 2060200 -90.1021 -302.841 -42.1819 -302.841 184.212 17.7667 -42.1821 17.7678 317.337 GPRESSURE: 2060200 -80.5338 -234.053 11.973 -240.054 226.066 27.9611 17.975 -25.7571 366.828 PRESSAVG: 2060200 1.05625 5.21997 30.8374 5.22003 -22.1557 -15.0941 30.8374 -15.0941 -0.740706 GPRESSAVG: 2060200 1.18517 4.68945 31.265 6.49016 -22.6658 -17.6334 31.0818 -14.3941 -0.678169 TIMING: 2060200 CPU: 6512.14, 0.00314454/step Wall: 6512.14, 0.00314454/step, 2.56787 hours remaining, 235.007812 MB of memory in use. ENERGY: 2060200 3937.3798 20502.3317 14518.6783 248.7401 -203168.5964 2535.2975 0.0000 0.0000 52194.8246 -109231.3444 299.9644 -161426.1690 -108873.9878 299.1736 137.1488 170.7865 763718.2781 -7.2801 -7.3863 LDB: ============= START OF LOAD BALANCING ============== 6524.67 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6524.67 LDB: =============== DONE WITH MIGRATION ================ 6524.67 LDB: ============= START OF LOAD BALANCING ============== 6524.99 LDB: Largest compute 7026 load 0.030039 is 15.4% of average load 0.195556 LDB: Average compute 0.004383 is 2.2% of average load 0.195556 LDB: TIME 6524.99 LOAD: AVG 0.195556 MAX 0.216478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.18 MB LDB: TIME 6524.99 LOAD: AVG 0.195556 MAX 0.216478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: TIME 6524.99 LOAD: AVG 0.195556 MAX 0.216478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: ============== END OF LOAD BALANCING =============== 6524.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6525 PRESSURE: 2060400 7.31798 -94.4829 -89.2658 -94.4827 584.955 78.7711 -89.2669 78.7726 -245.68 GPRESSURE: 2060400 131.432 -73.2741 -54.5716 -79.3562 530.521 71.9509 -165.227 111.339 -228.225 PRESSAVG: 2060400 36.6708 -49.755 18.8344 -49.755 -36.6181 -7.1192 18.8344 -7.11917 2.30895 GPRESSAVG: 2060400 37.4964 -48.3801 17.5063 -49.6873 -37.178 -4.48967 18.636 -7.8679 2.34894 TIMING: 2060400 CPU: 6512.78, 0.00321166/step Wall: 6512.78, 0.00321166/step, 2.6225 hours remaining, 234.679688 MB of memory in use. ENERGY: 2060400 4056.9846 20604.8241 14574.8040 236.0920 -203521.6616 2937.3418 0.0000 0.0000 52136.6993 -108974.9158 299.6303 -161111.6151 -108615.5102 299.3078 115.5312 144.5759 762779.9361 0.7872 0.8891 PRESSURE: 2060600 -0.437044 -213.765 -217.825 -213.766 -96.113 -219.826 -217.825 -219.826 -225.191 GPRESSURE: 2060600 -28.1075 -261.219 -234.425 -325.893 -133.381 -259.495 -42.4191 -122.673 -88.9632 PRESSAVG: 2060600 70.3272 -12.1786 28.4473 -12.1786 -28.1378 -51.4353 28.4474 -51.4352 -12.3579 GPRESSAVG: 2060600 68.724 -15.3049 28.7387 -12.8719 -26.8569 -53.4083 29.1013 -50.1076 -12.1266 TIMING: 2060600 CPU: 6513.41, 0.00314643/step Wall: 6513.41, 0.00314643/step, 2.56906 hours remaining, 235.085938 MB of memory in use. ENERGY: 2060600 3949.7273 20484.3053 14498.3295 254.3573 -203283.6216 2644.3239 0.0000 0.0000 52312.2501 -109140.3282 300.6392 -161452.5783 -108781.0783 299.4485 -107.2472 -83.4839 763075.7994 9.9438 9.9135 PRESSURE: 2060800 -7.62731 -186.204 -57.9129 -186.204 127.967 -137.373 -57.9124 -137.372 108.14 GPRESSURE: 2060800 12.1695 -40.6653 -170.328 -81.9547 198.537 -49.3067 -47.4791 -44.5377 113.889 PRESSAVG: 2060800 8.67523 -4.0355 11.2149 -4.03553 9.20103 -20.6709 11.2149 -20.671 19.8498 GPRESSAVG: 2060800 8.61676 -1.23264 9.55755 -2.51732 9.45966 -19.5252 10.9643 -20.5611 19.9015 TIMING: 2060800 CPU: 6514.04, 0.00314339/step Wall: 6514.04, 0.00314339/step, 2.5664 hours remaining, 235.085938 MB of memory in use. ENERGY: 2060800 4083.7657 20596.4045 14455.8674 256.1042 -203570.4997 3027.4256 0.0000 0.0000 52042.6623 -109108.2700 299.0899 -161150.9323 -108745.6995 299.9153 76.1600 108.1986 762986.0249 12.5754 12.6593 PRESSURE: 2061000 -19.2614 -45.7043 120.139 -45.7043 145.548 174.786 120.138 174.786 -44.719 GPRESSURE: 2061000 -52.5146 -108.336 162.202 -53.7722 194.246 140.815 26.7101 37.2985 28.5324 PRESSAVG: 2061000 2.32674 -39.5809 19.7835 -39.5809 29.8728 -14.4003 19.7835 -14.4003 -7.93821 GPRESSAVG: 2061000 2.96146 -39.0053 21.8394 -40.1037 30.6197 -14.4687 21.6049 -15.8886 -9.66861 TIMING: 2061000 CPU: 6514.67, 0.00315154/step Wall: 6514.67, 0.00315154/step, 2.57288 hours remaining, 235.085938 MB of memory in use. ENERGY: 2061000 4001.7386 20523.3371 14520.7696 241.0695 -203453.2425 2941.4469 0.0000 0.0000 52194.3308 -109030.5499 299.9615 -161224.8807 -108665.0540 299.5204 27.1891 56.7545 763982.4275 8.0871 7.9708 PRESSURE: 2061200 -208.66 -66.523 -47.5339 -66.5233 -44.2474 -317.353 -47.5349 -317.351 141.583 GPRESSURE: 2061200 -133.57 -28.0071 -35.2384 -131.179 -34.8501 -362.204 -58.9701 -331.849 155 PRESSAVG: 2061200 28.7649 4.38078 -9.55286 4.38085 -11.1483 -64.7955 -9.55285 -64.7955 25.2165 GPRESSAVG: 2061200 29.1317 1.66852 -9.47618 4.14778 -12.3511 -64.0601 -11.5109 -67.3202 26.2432 TIMING: 2061200 CPU: 6515.3, 0.00315455/step Wall: 6515.3, 0.00315455/step, 2.57516 hours remaining, 235.085938 MB of memory in use. ENERGY: 2061200 4015.1049 20542.8349 14434.5262 238.1887 -203300.9917 2657.9850 0.0000 0.0000 52351.5450 -109060.8071 300.8650 -161412.3520 -108687.6748 299.7158 -37.1083 -4.4732 763209.7682 14.2777 14.3412 PRESSURE: 2061400 180.193 71.4666 204.761 71.4672 102.015 -83.9874 204.76 -83.9878 381.973 GPRESSURE: 2061400 174.329 -3.51121 175.532 45.6879 183.25 -8.96553 243.363 -87.0159 407.372 PRESSAVG: 2061400 11.4973 23.7298 -26.5652 23.7298 -26.8377 -0.19364 -26.5652 -0.193671 -13.0793 GPRESSAVG: 2061400 10.6642 24.6285 -26.4607 24.6239 -26.6915 -1.00555 -26.1692 3.72347 -12.3385 TIMING: 2061400 CPU: 6515.93, 0.00314181/step Wall: 6515.93, 0.00314181/step, 2.56459 hours remaining, 235.085938 MB of memory in use. ENERGY: 2061400 3987.2847 20462.8850 14500.9276 244.7376 -203394.7622 2872.1695 0.0000 0.0000 52077.9820 -109248.7757 299.2929 -161326.7577 -108878.3666 299.4534 221.3939 254.9838 762195.5331 -9.4732 -9.4553 PRESSURE: 2061600 -238.838 -132.014 118.607 -132.014 -215.882 178.734 118.607 178.734 -137.402 GPRESSURE: 2061600 -199.785 -220.83 32.4628 -231.991 -235.061 120.791 180.173 60.8463 -67.8645 PRESSAVG: 2061600 -11.7251 0.226779 -7.94335 0.226784 14.706 38.3761 -7.94339 38.3761 2.29641 GPRESSAVG: 2061600 -11.75 -0.291393 -8.94838 0.411358 15.0442 39.3147 -4.9555 36.2935 2.49913 TIMING: 2061600 CPU: 6516.56, 0.00315104/step Wall: 6516.56, 0.00315104/step, 2.57195 hours remaining, 235.085938 MB of memory in use. ENERGY: 2061600 4013.0183 20583.2018 14601.0787 247.3874 -203013.1584 2610.1968 0.0000 0.0000 51974.4438 -108983.8316 298.6978 -160958.2754 -108627.3327 299.1694 -197.3739 -167.5702 763564.6605 1.7591 1.9311 PRESSURE: 2061800 233.966 -16.5607 54.013 -16.5612 540.501 -32.5904 54.0134 -32.5902 292.085 GPRESSURE: 2061800 330.046 -119.846 67.0322 91.5877 552.745 -43.8054 67.0424 13.4157 239.453 PRESSAVG: 2061800 18.9873 -7.50731 -45.9849 -7.50732 -0.889233 15.0518 -45.985 15.0517 6.48648 GPRESSAVG: 2061800 20.6681 -7.88447 -44.0556 -7.92049 -0.735418 13.9883 -49.8584 16.4519 4.81587 TIMING: 2061800 CPU: 6517.19, 0.00317029/step Wall: 6517.19, 0.00317029/step, 2.58749 hours remaining, 235.085938 MB of memory in use. ENERGY: 2061800 4038.8895 20674.6601 14572.0455 237.4910 -204167.8370 3485.0133 0.0000 0.0000 52098.0731 -109061.6645 299.4083 -161159.7376 -108704.6054 299.9398 355.5173 374.0810 761775.8003 8.1948 8.2495 PRESSURE: 2062000 150.169 -49.6801 -37.3312 -49.6795 239.379 391.652 -37.3315 391.651 -123.531 GPRESSURE: 2062000 234.861 -51.1513 -107.974 5.58901 191.069 380.727 4.96215 353.014 -63.0808 PRESSAVG: 2062000 17.264 -70.2702 -11.699 -70.2702 -24.0722 35.7356 -11.699 35.7357 24.5035 GPRESSAVG: 2062000 17.1176 -70.2361 -13.0721 -71.6379 -24.2867 36.3072 -10.8293 34.3518 25.3193 TIMING: 2062000 CPU: 6517.82, 0.00314145/step Wall: 6517.82, 0.00314145/step, 2.56378 hours remaining, 235.085938 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: 2062000 4026.8310 20629.9172 14569.3772 245.3775 -203228.2349 2654.6249 0.0000 0.0000 52068.8288 -109033.2783 299.2403 -161102.1071 -108678.7119 299.6643 88.6722 120.9498 762358.5167 5.8984 6.0501 PRESSURE: 2062200 -82.9589 -0.276633 194.602 -0.276774 -7.84227 -180.165 194.601 -180.165 -79.0358 GPRESSURE: 2062200 -148.081 69.6546 149.819 91.527 111.008 -204.446 28.4139 -154.889 -37.2191 PRESSAVG: 2062200 -9.40413 6.42528 -33.1441 6.42532 55.6252 17.7017 -33.1441 17.7016 6.20825 GPRESSAVG: 2062200 -10.3886 5.48599 -31.9799 11.251 55.6515 16.9589 -33.9559 20.0862 6.94596 TIMING: 2062200 CPU: 6518.45, 0.00316802/step Wall: 6518.45, 0.00316802/step, 2.58528 hours remaining, 235.085938 MB of memory in use. ENERGY: 2062200 3978.2947 20610.6067 14451.3758 224.8539 -203298.2296 2496.5513 0.0000 0.0000 52390.3802 -109146.1669 301.0882 -161536.5471 -108780.2112 300.3181 -56.6123 -24.7640 760104.2822 17.4764 17.4030 PRESSURE: 2062400 249.226 272.93 -245.809 272.931 0.991487 3.5323 -245.808 3.53381 -549.356 GPRESSURE: 2062400 221.541 289.185 -269.914 245.388 111.093 -23.6508 -200.818 117.832 -534.412 PRESSAVG: 2062400 -7.25095 48.9502 -9.36298 48.9502 26.3507 38.5162 -9.36298 38.5162 -0.784096 GPRESSAVG: 2062400 -5.9057 49.7358 -9.065 46.1813 26.9166 37.5227 -9.59739 38.5313 -2.14952 TIMING: 2062400 CPU: 6519.09, 0.00316175/step Wall: 6519.09, 0.00316175/step, 2.57999 hours remaining, 235.085938 MB of memory in use. ENERGY: 2062400 4097.1965 20801.9665 14510.3163 252.0818 -203384.3342 2846.0455 0.0000 0.0000 52008.3981 -108868.3295 298.8930 -160876.7276 -108501.3793 300.4575 -99.7131 -67.2595 761560.8423 6.1052 6.2871 PRESSURE: 2062600 -26.038 -80.2067 317.961 -80.2077 -147.145 -99.6748 317.962 -99.6739 188.392 GPRESSURE: 2062600 9.44342 -26.4686 272.4 -161.291 -119.186 -71.3135 272.239 37.488 210.369 PRESSAVG: 2062600 55.0512 14.3917 9.24622 14.3916 -22.1553 -79.3138 9.24622 -79.3139 6.76676 GPRESSAVG: 2062600 55.8253 15.8245 9.13144 13.9003 -22.3227 -79.0299 11.3196 -78.8016 6.43909 TIMING: 2062600 CPU: 6519.72, 0.00315233/step Wall: 6519.72, 0.00315233/step, 2.57213 hours remaining, 235.085938 MB of memory in use. ENERGY: 2062600 4058.4702 20542.8550 14485.6863 271.2655 -203140.1242 2588.6602 0.0000 0.0000 52272.8125 -108920.3746 300.4126 -161193.1871 -108548.5277 300.6751 5.0699 33.5421 760949.8508 13.2209 13.3139 PRESSURE: 2062800 -43.7966 84.4272 -131.419 84.4276 -248.697 -174.731 -131.42 -174.732 83.7311 GPRESSURE: 2062800 -48.0485 63.5935 -90.5542 173.723 -193.393 -91.4532 -146.302 -136.395 118.847 PRESSAVG: 2062800 -47.2814 0.691018 -18.956 0.691014 28.0996 -26.8101 -18.956 -26.8101 6.20261 GPRESSAVG: 2062800 -47.2914 -1.48821 -19.5655 1.66498 27.547 -25.4309 -20.5367 -27.5917 6.44003 TIMING: 2062800 CPU: 6520.35, 0.00315631/step Wall: 6520.35, 0.00315631/step, 2.5752 hours remaining, 235.085938 MB of memory in use. ENERGY: 2062800 3906.3153 20550.4846 14517.9059 267.2752 -202869.4887 2379.2578 0.0000 0.0000 52283.8045 -108964.4454 300.4757 -161248.2499 -108598.7060 300.4341 -69.5875 -40.8649 762010.7973 -4.3264 -4.4348 PRESSURE: 2063000 -215.092 43.2256 -130.834 43.2263 -264.943 -119.428 -130.833 -119.429 -57.2791 GPRESSURE: 2063000 -171.094 30.6569 -89.2882 7.86958 -219.786 -123.982 -127.809 -93.1453 -56.7196 PRESSAVG: 2063000 44.7746 -3.49264 -58.3199 -3.49263 -22.535 -11.1121 -58.32 -11.1122 -14.1142 GPRESSAVG: 2063000 44.3191 -3.87454 -57.8821 -4.84876 -22.4495 -11.5093 -57.4488 -10.9123 -13.694 TIMING: 2063000 CPU: 6520.98, 0.00315147/step Wall: 6520.98, 0.00315147/step, 2.57108 hours remaining, 235.085938 MB of memory in use. ENERGY: 2063000 4076.3671 20691.9396 14408.7540 245.2208 -202681.7618 2473.0563 0.0000 0.0000 51785.0148 -109001.4092 297.6092 -160786.4240 -108634.3608 300.3970 -179.1046 -149.1997 762751.2371 2.7085 2.7252 PRESSURE: 2063200 -71.4584 -12.3506 -82.4973 -12.3507 -40.279 124.641 -82.498 124.641 -353.391 GPRESSURE: 2063200 -13.9821 -42.5648 -81.6803 1.34441 -10.8843 179.192 7.66362 119.88 -359.118 PRESSAVG: 2063200 -17.5459 -5.03717 -20.1681 -5.03721 40.997 33.3819 -20.1681 33.382 -6.7433 GPRESSAVG: 2063200 -16.6187 -3.60492 -20.1959 -4.40285 40.3262 33.2834 -21.361 32.007 -7.04065 TIMING: 2063200 CPU: 6521.61, 0.00314623/step Wall: 6521.61, 0.00314623/step, 2.56663 hours remaining, 235.074219 MB of memory in use. ENERGY: 2063200 3987.8835 20634.6360 14536.3210 236.8280 -203369.4324 2650.5466 0.0000 0.0000 52192.6853 -109130.5320 299.9521 -161323.2173 -108767.4020 299.8514 -155.0429 -127.9949 761126.0016 5.5693 5.5556 PRESSURE: 2063400 82.7789 18.9015 -187.499 18.9007 -64.8054 16.1854 -187.499 16.1854 52.8887 GPRESSURE: 2063400 174.802 109.57 -179.998 43.3304 8.70615 -53.6603 -82.3986 25.8351 -4.02855 PRESSAVG: 2063400 56.6215 35.2973 -11.8323 35.2973 -47.2589 0.796545 -11.8323 0.796619 5.99855 GPRESSAVG: 2063400 55.1855 34.7775 -12.0856 34.1929 -45.1926 0.572549 -9.64826 0.565888 6.04984 TIMING: 2063400 CPU: 6522.24, 0.00314328/step Wall: 6522.24, 0.00314328/step, 2.56404 hours remaining, 235.074219 MB of memory in use. ENERGY: 2063400 3959.2821 20472.0409 14472.9856 243.0825 -203132.8596 2822.7897 0.0000 0.0000 52009.8566 -109152.8222 298.9014 -161162.6788 -108771.7924 299.4877 23.6207 59.8264 761865.8989 5.1204 5.3476 PRESSURE: 2063600 98.4556 24.9561 93.9421 24.956 337.341 -202.22 93.9421 -202.221 164.741 GPRESSURE: 2063600 217.24 94.0952 46.704 -136.429 288.079 -170.115 64.8026 -301.001 186.06 PRESSAVG: 2063600 10.7743 -0.447816 -33.3251 -0.447856 -3.36068 -0.722878 -33.3251 -0.722884 7.21395 GPRESSAVG: 2063600 12.4434 0.513776 -34.6838 0.79783 -6.12948 -0.297397 -32.6894 0.706262 8.03294 TIMING: 2063600 CPU: 6522.86, 0.00314639/step Wall: 6522.86, 0.00314639/step, 2.56641 hours remaining, 235.074219 MB of memory in use. ENERGY: 2063600 3971.8104 20661.8171 14480.8525 252.3583 -203739.0927 2799.4889 0.0000 0.0000 52247.7398 -109325.0258 300.2685 -161572.7656 -108954.5910 299.5320 200.1792 230.4597 760435.8509 4.8759 4.7823 PRESSURE: 2063800 287.936 41.3339 133.554 41.3337 305.041 -31.1504 133.553 -31.1499 -48.1789 GPRESSURE: 2063800 296.311 -74.1558 69.7386 -22.1123 346.476 -126.696 124.523 -76.0363 -25.2737 PRESSAVG: 2063800 71.8061 -15.9812 -1.77302 -15.9812 17.1936 -39.2399 -1.77302 -39.2399 4.22542 GPRESSAVG: 2063800 71.478 -16.8388 0.82041 -15.1118 16.949 -41.0175 -6.41854 -39.4742 3.77453 TIMING: 2063800 CPU: 6523.49, 0.00314249/step Wall: 6523.49, 0.00314249/step, 2.56305 hours remaining, 235.074219 MB of memory in use. ENERGY: 2063800 3887.1830 20617.5503 14508.9152 236.2875 -203576.8138 2868.5252 0.0000 0.0000 52171.0786 -109287.2740 299.8279 -161458.3526 -108924.2923 299.4017 181.5995 205.8380 762101.6548 31.0750 30.7339 PRESSURE: 2064000 91.8535 -117.321 -133.225 -117.322 177.642 -253.292 -133.226 -253.293 497.354 GPRESSURE: 2064000 74.879 -104.329 -98.3676 -198.361 236.362 -261.247 -32.9134 -279.745 555.308 PRESSAVG: 2064000 37.144 -44.3821 -13.5963 -44.3822 -26.7477 12.8191 -13.5963 12.8191 -6.76097 GPRESSAVG: 2064000 34.7979 -44.1657 -14.6617 -45.8769 -25.6851 13.9814 -12.3109 12.296 -6.04117 TIMING: 2064000 CPU: 6524.12, 0.00314885/step Wall: 6524.12, 0.00314885/step, 2.56806 hours remaining, 235.085938 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: 2064000 3995.8975 20630.0677 14492.2424 219.6666 -203694.7268 2866.1634 0.0000 0.0000 52102.1160 -109388.5732 299.4316 -161490.6892 -109034.3863 298.7034 255.6166 288.8494 759863.7729 1.2118 1.0239 PRESSURE: 2064200 180.831 -124.209 212.887 -124.209 -401.354 93.9796 212.887 93.9789 197.906 GPRESSURE: 2064200 192.977 -24.2509 225.476 -73.0361 -321.939 133.063 177.409 -110.154 194.489 PRESSAVG: 2064200 67.4821 -40.7304 16.8629 -40.7305 -26.7663 29.8687 16.8629 29.8686 -10.4815 GPRESSAVG: 2064200 68.458 -42.841 15.0671 -40.6094 -26.553 31.2151 19.066 29.4256 -11.6928 TIMING: 2064200 CPU: 6524.76, 0.00316101/step Wall: 6524.76, 0.00316101/step, 2.57781 hours remaining, 235.085938 MB of memory in use. ENERGY: 2064200 3973.5799 20448.5724 14483.2195 247.4803 -203352.9604 2680.2891 0.0000 0.0000 52058.9708 -109460.8485 299.1836 -161519.8193 -109095.7250 299.0684 -7.5388 21.8422 761367.0479 10.0781 10.0707 LDB: ============= START OF LOAD BALANCING ============== 6537.29 LDB: ============== END OF LOAD BALANCING =============== 6537.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6537.29 LDB: ============= START OF LOAD BALANCING ============== 6537.61 LDB: Largest compute 7060 load 0.029573 is 15.1% of average load 0.195548 LDB: Average compute 0.004393 is 2.2% of average load 0.195548 LDB: TIME 6537.61 LOAD: AVG 0.195548 MAX 0.214096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 6537.61 LOAD: AVG 0.195548 MAX 0.214096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: TIME 6537.61 LOAD: AVG 0.195548 MAX 0.214096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: ============== END OF LOAD BALANCING =============== 6537.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6537.62 PRESSURE: 2064400 -93.1991 101.207 76.6167 101.207 -148.374 198.784 76.6169 198.785 -86.2872 GPRESSURE: 2064400 -88.6328 -20.7072 -7.58823 244.469 -31.0432 214.328 -12.3993 131.084 -120.964 PRESSAVG: 2064400 54.0373 4.59777 -62.8678 4.59782 -36.9171 15.924 -62.8678 15.924 4.72668 GPRESSAVG: 2064400 54.5095 6.31194 -61.5887 4.3814 -38.4498 16.3885 -64.0907 15.9129 5.6716 TIMING: 2064400 CPU: 6525.4, 0.00323423/step Wall: 6525.4, 0.00323423/step, 2.63733 hours remaining, 235.453125 MB of memory in use. ENERGY: 2064400 3955.3113 20467.8265 14398.9265 240.5608 -203564.5523 2558.2589 0.0000 0.0000 52089.3811 -109854.2871 299.3584 -161943.6682 -109490.3592 298.6041 -109.2869 -80.2135 762096.2728 7.2823 7.2438 PRESSURE: 2064600 278.676 76.6155 -34.9375 76.6166 -56.3208 122.402 -34.9379 122.402 305.056 GPRESSURE: 2064600 258.779 166.199 -28.1006 31.6323 0.118249 94.8844 -71.5441 275.521 355.704 PRESSAVG: 2064600 10.6026 11.5617 -37.2427 11.5617 -1.06345 28.5115 -37.2427 28.5115 -27.4013 GPRESSAVG: 2064600 10.0213 12.4754 -37.5647 12.0838 0.619334 28.5079 -39.19 29.9606 -28.1726 TIMING: 2064600 CPU: 6526.03, 0.00316255/step Wall: 6526.03, 0.00316255/step, 2.57871 hours remaining, 235.656250 MB of memory in use. ENERGY: 2064600 3979.3565 20617.8499 14468.8801 253.7506 -203907.6532 2869.8824 0.0000 0.0000 51989.0635 -109728.8703 298.7819 -161717.9338 -109377.1941 298.1890 175.8037 204.8671 758886.4705 -5.9541 -5.8440 PRESSURE: 2064800 -9.73022 137.119 -169.203 137.119 -126.261 -121.442 -169.203 -121.442 -667.41 GPRESSURE: 2064800 -46.2808 157.162 -164.7 51.0368 -88.8595 -157.811 -172.104 -72.107 -585.547 PRESSAVG: 2064800 52.6679 -24.9379 -43.1718 -24.9378 -7.94011 -29.0773 -43.1718 -29.0772 2.76857 GPRESSAVG: 2064800 53.1857 -23.9006 -44.2727 -26.3581 -9.09509 -31.3077 -40.3018 -27.4574 3.16863 TIMING: 2064800 CPU: 6526.67, 0.00315385/step Wall: 6526.67, 0.00315385/step, 2.57144 hours remaining, 235.800781 MB of memory in use. ENERGY: 2064800 3960.1027 20457.0235 14527.6846 251.3939 -203468.8624 2477.8808 0.0000 0.0000 51994.4866 -109800.2905 298.8130 -161794.7770 -109431.0211 298.8869 -267.8002 -240.2289 761199.8300 15.8321 15.7531 PRESSURE: 2065000 -37.5908 -227.616 -275.664 -227.617 -315.231 -174.642 -275.664 -174.641 -89.7931 GPRESSURE: 2065000 4.4594 -154.227 -278.901 -154.25 -304.106 -142.294 -284.937 -153.38 -66.7901 PRESSAVG: 2065000 -5.83216 4.72565 -50.7593 4.72568 -27.7819 15.4632 -50.7593 15.4632 -7.46846 GPRESSAVG: 2065000 -6.6535 2.98577 -50.5902 6.29518 -25.9295 17.2218 -52.7924 12.4405 -8.29107 TIMING: 2065000 CPU: 6527.3, 0.00315146/step Wall: 6527.3, 0.00315146/step, 2.56931 hours remaining, 235.800781 MB of memory in use. ENERGY: 2065000 3997.4870 20705.2751 14532.1807 244.0194 -203393.8306 2555.7366 0.0000 0.0000 51645.2173 -109713.9145 296.8058 -161359.1319 -109361.2442 298.1722 -147.5384 -122.1454 761538.7178 -13.6942 -13.6247 PRESSURE: 2065200 -75.9516 -51.2171 -27.1885 -51.2169 -26.5629 -83.5836 -27.1876 -83.5852 -9.83966 GPRESSURE: 2065200 5.21118 7.23424 -129.331 -2.95953 -48.5842 -126.867 -9.72791 -51.0558 8.10883 PRESSAVG: 2065200 -34.2298 18.9064 -24.429 18.9064 39.6807 -9.0211 -24.429 -9.0211 15.307 GPRESSAVG: 2065200 -33.7479 17.2022 -24.449 19.4362 38.0971 -10.1218 -24.2917 -8.37166 16.3108 TIMING: 2065200 CPU: 6527.92, 0.00313961/step Wall: 6527.92, 0.0031396/step, 2.55948 hours remaining, 235.800781 MB of memory in use. ENERGY: 2065200 3955.4108 20705.3582 14441.0551 250.0267 -203736.7863 2606.4557 0.0000 0.0000 52248.2022 -109530.2776 300.2711 -161778.4798 -109160.8596 299.0884 -37.4514 -11.7547 761348.7848 6.9193 6.8866 PRESSURE: 2065400 -75.3954 -45.1899 -6.11932 -45.1894 95.3155 -183.227 -6.11934 -183.226 86.4029 GPRESSURE: 2065400 -55.0164 -78.6682 -17.9689 -37.2217 216.902 -255.754 -25.1147 -4.8682 31.257 PRESSAVG: 2065400 -5.75405 4.63143 2.70822 4.63146 -16.1215 9.2582 2.70821 9.25816 13.246 GPRESSAVG: 2065400 -5.33984 6.75557 4.48632 5.94605 -16.5668 10.4486 2.82608 10.0591 13.3294 TIMING: 2065400 CPU: 6528.55, 0.00314129/step Wall: 6528.55, 0.00314129/step, 2.56068 hours remaining, 236.003906 MB of memory in use. ENERGY: 2065400 3963.8408 20498.5691 14485.5284 261.8296 -203246.4087 2605.6450 0.0000 0.0000 52068.0210 -109362.9747 299.2356 -161430.9957 -108994.8227 298.7533 35.4410 64.3809 762698.9439 -2.8765 -2.8591 PRESSURE: 2065600 22.8824 103.794 -111.624 103.794 -29.4583 103.049 -111.624 103.049 -109.553 GPRESSURE: 2065600 21.3084 56.5955 -90.5634 73.4627 44.344 149.66 -127.113 -17.6174 -87.9903 PRESSAVG: 2065600 56.2226 -16.4384 -2.33958 -16.4383 -18.6578 -9.19754 -2.33962 -9.19757 -2.93522 GPRESSAVG: 2065600 55.6258 -16.0019 -1.41439 -18.7979 -17.6162 -9.83175 -3.05901 -10.6402 -3.04363 TIMING: 2065600 CPU: 6529.19, 0.00317356/step Wall: 6529.19, 0.00317356/step, 2.58681 hours remaining, 235.992188 MB of memory in use. ENERGY: 2065600 4100.6546 20565.5075 14493.1332 251.8422 -203224.9948 2749.5611 0.0000 0.0000 51682.0165 -109382.2798 297.0173 -161064.2963 -109028.1549 299.4192 -38.7095 -7.4460 761113.3008 11.5432 11.6553 PRESSURE: 2065800 66.9896 105.375 -63.7552 105.375 -183.516 106.721 -63.7554 106.722 -241.093 GPRESSURE: 2065800 150.381 141.11 -28.9562 47.8299 -213.434 75.3723 104.161 68.4699 -211.182 PRESSAVG: 2065800 14.1832 20.9161 -25.0709 20.9161 21.1974 8.21219 -25.0709 8.21225 -16.7416 GPRESSAVG: 2065800 15.0166 19.5536 -25.8516 21.6971 20.2415 9.01808 -23.7688 10.2417 -16.489 TIMING: 2065800 CPU: 6529.82, 0.00315411/step Wall: 6529.82, 0.00315411/step, 2.57077 hours remaining, 235.992188 MB of memory in use. ENERGY: 2065800 3989.4203 20649.2733 14504.4043 244.2621 -203522.5260 2799.8630 0.0000 0.0000 51993.6841 -109341.6189 298.8084 -161335.3031 -108985.6802 299.1475 -119.2064 -91.4118 760681.5499 6.2130 6.2563 PRESSURE: 2066000 -129.155 -1.93296 -257.268 -1.93335 17.5672 35.2926 -257.268 35.2927 73.4674 GPRESSURE: 2066000 -54.1733 64.6707 -223.208 -65.0006 69.2319 -36.6004 -149.639 54.2398 44.3194 PRESSAVG: 2066000 54.9037 -34.6495 -52.2954 -34.6494 -69.746 9.09352 -52.2953 9.09345 16.8986 GPRESSAVG: 2066000 55.0144 -33.219 -51.5923 -35.5804 -69.0197 7.41335 -53.6317 8.36064 16.8695 TIMING: 2066000 CPU: 6530.45, 0.00316552/step Wall: 6530.45, 0.00316552/step, 2.5799 hours remaining, 235.992188 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: 2066000 3985.4095 20721.4390 14504.1960 250.4035 -203652.3778 2881.7639 0.0000 0.0000 51992.7824 -109316.3836 298.8032 -161309.1659 -108947.8871 299.6094 -12.7068 19.7926 760927.8404 0.6854 0.9547 PRESSURE: 2066200 48.9862 -206.749 29.2786 -206.75 -109.606 152.255 29.2784 152.256 251.399 GPRESSURE: 2066200 137.122 -160.232 3.67577 -299.828 -84.0978 158.492 -14.0761 89.7684 232.93 PRESSAVG: 2066200 36.6519 -2.15038 -21.8627 -2.1504 -31.8901 -22.0882 -21.8627 -22.0882 3.79753 GPRESSAVG: 2066200 36.6076 -2.35404 -23.1567 -1.14597 -32.233 -20.9529 -20.0514 -21.9236 4.50097 TIMING: 2066200 CPU: 6531.08, 0.00314702/step Wall: 6531.08, 0.00314702/step, 2.56465 hours remaining, 235.992188 MB of memory in use. ENERGY: 2066200 3987.1656 20518.6727 14501.0451 242.2354 -203461.1452 2759.5472 0.0000 0.0000 52372.2537 -109080.2257 300.9841 -161452.4793 -108714.8532 300.1542 63.5932 95.3182 762209.4070 2.8531 2.9585 PRESSURE: 2066400 92.6226 87.6038 -114.243 87.604 464.75 -86.83 -114.244 -86.8307 5.15451 GPRESSURE: 2066400 131.291 116.365 -10.87 44.0219 512.31 -109.9 -215.295 -18.4774 -8.75898 PRESSAVG: 2066400 15.0759 -48.5671 -59.2796 -48.5671 -20.508 -4.46687 -59.2796 -4.46689 8.1467 GPRESSAVG: 2066400 15.2619 -49.9653 -58.6331 -47.0149 -21.1044 -3.72798 -59.5217 -6.2232 8.4521 TIMING: 2066400 CPU: 6531.71, 0.00313267/step Wall: 6531.71, 0.00313267/step, 2.55278 hours remaining, 236.003906 MB of memory in use. ENERGY: 2066400 4020.7184 20649.3698 14440.6222 242.3703 -203305.7494 2889.3356 0.0000 0.0000 52206.2003 -108857.1328 300.0298 -161063.3331 -108496.3999 300.2118 187.5089 211.6140 761683.5964 0.9048 0.8699 PRESSURE: 2066600 272.43 12.9325 -12.0608 12.9322 134.962 99.481 -12.0609 99.4807 56.6926 GPRESSURE: 2066600 277.4 25.1935 62.8772 -10.0975 202.099 88.9482 29.5016 27.2845 47.1279 PRESSAVG: 2066600 59.6214 22.3829 23.6657 22.3829 -27.1616 -77.2767 23.6657 -77.2767 -1.58343 GPRESSAVG: 2066600 61.8032 22.0407 23.9466 21.6081 -27.2864 -78.6604 24.0908 -75.9399 -3.54766 TIMING: 2066600 CPU: 6532.33, 0.00312253/step Wall: 6532.33, 0.00312253/step, 2.54434 hours remaining, 236.003906 MB of memory in use. ENERGY: 2066600 3972.5607 20664.5925 14449.2160 245.3344 -204020.1418 3190.0406 0.0000 0.0000 52448.6984 -109049.6992 301.4234 -161498.3976 -108685.5780 300.4478 154.6948 175.5424 760032.0377 10.2921 10.3230 PRESSURE: 2066800 -240.086 62.3809 -88.3529 62.3808 -65.3592 168.817 -88.3535 168.816 -146.679 GPRESSURE: 2066800 -145.019 13.1867 -119.643 68.4257 -5.98093 145.864 -103.441 196.214 -216.101 PRESSAVG: 2066800 35.6766 -2.57692 12.706 -2.57692 -28.2433 31.3613 12.706 31.3613 -11.706 GPRESSAVG: 2066800 33.9725 -2.75827 13.055 -3.00441 -27.5623 30.8172 13.5007 32.1181 -11.162 TIMING: 2066800 CPU: 6532.96, 0.00314628/step Wall: 6532.96, 0.00314628/step, 2.56352 hours remaining, 236.003906 MB of memory in use. ENERGY: 2066800 4041.1419 20521.3239 14499.9793 247.2384 -203337.1745 2691.3840 0.0000 0.0000 52199.0577 -109137.0493 299.9887 -161336.1070 -108769.6796 300.1877 -150.7081 -122.3670 761579.7647 -1.4242 -1.5840 PRESSURE: 2067000 -400.085 52.6759 15.4492 52.6766 -294.923 -21.4009 15.4495 -21.4009 -239.395 GPRESSURE: 2067000 -321.52 55.3355 84.4613 27.7762 -227.963 -14.9163 52.7629 -71.3325 -287.547 PRESSAVG: 2067000 19.4731 -42.4647 2.27802 -42.4646 -6.29282 11.0373 2.27802 11.0373 8.46664 GPRESSAVG: 2067000 18.9785 -43.237 1.18364 -40.1127 -5.64701 11.7371 4.01796 10.7716 8.92131 TIMING: 2067000 CPU: 6533.59, 0.00314539/step Wall: 6533.59, 0.00314539/step, 2.56262 hours remaining, 236.003906 MB of memory in use. ENERGY: 2067000 4028.8384 20644.9877 14443.5291 236.3659 -203143.3374 2755.9115 0.0000 0.0000 51905.9545 -109127.7503 298.3042 -161033.7048 -108770.5187 299.7919 -311.4677 -279.0100 763679.2166 7.2156 7.4176 PRESSURE: 2067200 -210.586 18.4864 -89.2548 18.4861 -26.6746 -153.531 -89.2551 -153.531 -277.964 GPRESSURE: 2067200 -150.29 211.606 -82.2634 -25.4906 -22.6219 -122.844 -28.9823 -81.8131 -260.486 PRESSAVG: 2067200 -9.89792 -40.4993 28.6875 -40.4993 -27.8246 28.9856 28.6875 28.9856 -20.2897 GPRESSAVG: 2067200 -10.3624 -38.9301 29.3607 -40.9391 -28.0589 28.7783 25.6127 27.9914 -19.928 TIMING: 2067200 CPU: 6534.22, 0.00313554/step Wall: 6534.22, 0.00313554/step, 2.55442 hours remaining, 236.003906 MB of memory in use. ENERGY: 2067200 3966.2071 20537.5303 14453.9333 232.0544 -203422.6778 2810.8203 0.0000 0.0000 52114.1272 -109308.0053 299.5006 -161422.1325 -108947.5784 299.2647 -171.7416 -144.4660 762710.7619 -19.3374 -19.4498 PRESSURE: 2067400 -76.9615 74.7755 100.568 74.7758 192.484 -78.4222 100.567 -78.4234 409.861 GPRESSURE: 2067400 -43.2788 -27.9527 96.0083 -10.3423 221.877 -101.554 140.786 23.2591 423.778 PRESSAVG: 2067400 20.0017 7.00429 -56.1181 7.00434 -11.6731 -46.0424 -56.1181 -46.0425 -4.19535 GPRESSAVG: 2067400 21.1604 7.67679 -55.1695 5.38558 -13.6562 -45.5918 -55.4452 -45.6178 -3.86906 TIMING: 2067400 CPU: 6534.84, 0.00314233/step Wall: 6534.84, 0.00314233/step, 2.55978 hours remaining, 236.003906 MB of memory in use. ENERGY: 2067400 3939.1400 20615.0874 14441.7257 256.4205 -203309.1161 2756.7146 0.0000 0.0000 51915.9619 -109384.0659 298.3617 -161300.0278 -109014.5962 298.9619 175.1280 200.7918 762736.0276 1.3777 1.2117 PRESSURE: 2067600 -370.846 -99.0008 -97.0899 -99.0011 -192.907 324.136 -97.0881 324.136 -142.061 GPRESSURE: 2067600 -315.568 -173.156 -22.6257 71.0693 -183.441 228.053 -228.774 245.636 -114.695 PRESSAVG: 2067600 22.4897 -31.4546 -95.6467 -31.4546 -20.0408 16.0714 -95.6468 16.0714 -22.7759 GPRESSAVG: 2067600 20.9807 -32.613 -94.976 -30.2608 -17.5136 14.2201 -94.535 15.3244 -23.62 TIMING: 2067600 CPU: 6535.47, 0.00313748/step Wall: 6535.47, 0.00313748/step, 2.55565 hours remaining, 236.003906 MB of memory in use. ENERGY: 2067600 3924.8930 20515.2258 14455.2942 260.9685 -203310.7369 2553.9709 0.0000 0.0000 52206.0478 -109394.3367 300.0289 -161600.3845 -109034.3603 298.9622 -235.2714 -204.5680 763003.1376 -6.7757 -6.7177 PRESSURE: 2067800 288.705 -30.8703 228.836 -30.8698 -121.494 -172.687 228.836 -172.687 212.669 GPRESSURE: 2067800 332.151 -5.70957 168.165 53.7527 -68.8674 -159.436 163.506 -60.0332 184.999 PRESSAVG: 2067800 -8.15361 -13.6859 0.0383616 -13.6858 -12.1691 -15.052 0.0384418 -15.0519 11.3832 GPRESSAVG: 2067800 -8.23256 -12.7359 -0.508664 -15.008 -12.5251 -13.5908 -0.353935 -14.459 11.9654 TIMING: 2067800 CPU: 6536.1, 0.00314722/step Wall: 6536.1, 0.00314722/step, 2.56341 hours remaining, 236.003906 MB of memory in use. ENERGY: 2067800 3919.8633 20587.6008 14429.4420 258.7408 -203407.9650 2854.6590 0.0000 0.0000 52091.1990 -109266.4602 299.3688 -161357.6592 -108902.2796 298.8341 126.6267 149.4275 763576.7373 -2.9798 -2.9308 PRESSURE: 2068000 -305.194 23.6737 122.602 23.6736 -186.953 -120.836 122.603 -120.836 334.475 GPRESSURE: 2068000 -295.292 82.8365 111.864 -12.9756 -114.616 -153.504 49.8859 46.193 339.672 PRESSAVG: 2068000 19.6902 -30.5165 -28.0902 -30.5165 6.7483 0.242576 -28.0902 0.242576 6.5094 GPRESSAVG: 2068000 20.3517 -29.7183 -28.6195 -32.0252 6.20707 1.34872 -28.7759 0.0557075 6.02983 TIMING: 2068000 CPU: 6536.74, 0.00317177/step Wall: 6536.74, 0.00317177/step, 2.58323 hours remaining, 236.003906 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: 2068000 4036.3851 20465.2602 14464.6798 241.5661 -203337.4089 2862.8410 0.0000 0.0000 52213.7157 -109052.9610 300.0729 -161266.6767 -108682.7225 299.5201 -52.5570 -23.4120 764313.3454 10.9826 10.8629 PRESSURE: 2068200 -42.1882 -1.61165 -144.037 -1.61207 128.489 -186.98 -144.037 -186.98 241.305 GPRESSURE: 2068200 122.29 -2.96598 -147.08 74.7596 158.581 -274.796 -131.721 -21.8571 149.941 PRESSAVG: 2068200 32.8335 -19.6661 -44.8522 -19.6661 -43.6147 -20.2314 -44.8522 -20.2314 33.1047 GPRESSAVG: 2068200 32.3207 -21.033 -45.3198 -16.7925 -43.0541 -20.764 -44.1395 -18.7605 32.7501 TIMING: 2068200 CPU: 6537.37, 0.00314669/step Wall: 6537.37, 0.00314669/step, 2.56263 hours remaining, 236.003906 MB of memory in use. ENERGY: 2068200 3945.9269 20485.5071 14478.2587 269.7547 -203244.9544 2857.8361 0.0000 0.0000 52035.8093 -109171.8616 299.0505 -161207.6709 -108813.6345 299.7532 109.2019 143.6038 762746.3971 7.4412 7.3389 LDB: ============= START OF LOAD BALANCING ============== 6549.9 LDB: ============== END OF LOAD BALANCING =============== 6549.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6549.9 LDB: ============= START OF LOAD BALANCING ============== 6550.21 LDB: Largest compute 7060 load 0.030568 is 15.6% of average load 0.195511 LDB: Average compute 0.004375 is 2.2% of average load 0.195511 LDB: TIME 6550.22 LOAD: AVG 0.195511 MAX 0.215259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 6550.22 LOAD: AVG 0.195511 MAX 0.215259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: TIME 6550.22 LOAD: AVG 0.195511 MAX 0.215259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: ============== END OF LOAD BALANCING =============== 6550.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6550.23 PRESSURE: 2068400 -50.3481 56.2359 6.87233 56.2355 70.5994 153.605 6.87257 153.604 434.584 GPRESSURE: 2068400 -4.02201 37.4146 24.3086 -11.9893 95.9001 99.5395 219.366 95.5965 427.763 PRESSAVG: 2068400 29.3641 28.4494 -2.32638 28.4494 -47.836 -6.84611 -2.32646 -6.84616 22.875 GPRESSAVG: 2068400 29.6206 28.8214 -3.13053 29.5222 -47.4577 -6.57471 -0.829695 -6.9483 22.1443 TIMING: 2068400 CPU: 6538.01, 0.00321826/step Wall: 6538.01, 0.00321826/step, 2.62073 hours remaining, 236.937500 MB of memory in use. ENERGY: 2068400 3959.8659 20688.5860 14467.4995 241.3324 -203413.3026 2883.2613 0.0000 0.0000 52085.3625 -109087.3949 299.3353 -161172.7574 -108723.7631 299.1045 151.6117 173.2136 763039.4667 1.4677 1.4357 PRESSURE: 2068600 124.021 -180.488 -124.472 -180.489 -136.139 -36.7822 -124.472 -36.7814 207.497 GPRESSURE: 2068600 72.8748 -277.209 -83.6808 -130.687 -6.44459 -101.147 -81.695 -122.983 195.586 PRESSAVG: 2068600 63.3058 -3.87811 34.0257 -3.87806 -80.1153 32.861 34.0257 32.861 20.5069 GPRESSAVG: 2068600 62.76 -4.59083 35.2243 -5.40549 -80.8926 33.578 30.2772 31.3847 21.1977 TIMING: 2068600 CPU: 6538.64, 0.0031462/step Wall: 6538.64, 0.0031462/step, 2.56188 hours remaining, 237.140625 MB of memory in use. ENERGY: 2068600 3980.7619 20545.2344 14515.1696 232.4147 -203217.2436 2855.6389 0.0000 0.0000 51896.2706 -109191.7535 298.2486 -161088.0242 -108830.7631 299.2410 65.1264 87.3387 762905.3812 1.2325 1.0217 PRESSURE: 2068800 -305.212 18.595 172.048 18.5955 20.0955 -217.91 172.048 -217.909 98.8115 GPRESSURE: 2068800 -258.031 -69.9202 89.5556 -15.0382 0.0562485 -245.266 97.5483 -191.151 151.158 PRESSAVG: 2068800 11.3195 -13.5881 -10.6854 -13.5881 -18.3024 -41.4782 -10.6853 -41.4783 -1.71993 GPRESSAVG: 2068800 12.1384 -10.9383 -10.3987 -13.9454 -19.0447 -41.1295 -8.89994 -42.1127 -1.21576 TIMING: 2068800 CPU: 6539.27, 0.00313971/step Wall: 6539.27, 0.00313971/step, 2.55643 hours remaining, 237.140625 MB of memory in use. ENERGY: 2068800 4057.0866 20460.8451 14448.4370 248.4066 -202911.3547 2524.0298 0.0000 0.0000 51841.3200 -109331.2296 297.9328 -161172.5496 -108969.6634 298.8859 -62.1017 -35.6055 762405.8315 -2.9009 -2.7074 PRESSURE: 2069000 -232.797 25.4894 23.531 25.4889 -406.383 -117.88 23.5306 -117.88 -224.075 GPRESSURE: 2069000 -202.402 19.3569 7.51449 126.386 -313.232 -141.661 101.275 -85.5687 -263.864 PRESSAVG: 2069000 44.0934 21.9049 -22.1396 21.9049 -6.37044 -54.0278 -22.1396 -54.0278 18.7537 GPRESSAVG: 2069000 44.0124 19.6925 -22.6964 22.8496 -5.19871 -55.0549 -22.2635 -55.0157 17.1128 TIMING: 2069000 CPU: 6539.89, 0.00313837/step Wall: 6539.89, 0.00313838/step, 2.55516 hours remaining, 237.140625 MB of memory in use. ENERGY: 2069000 4034.7396 20549.1648 14433.7685 246.0598 -202634.3076 2338.3775 0.0000 0.0000 51742.1897 -109290.0077 297.3631 -161032.1975 -108931.2178 299.4221 -287.7516 -259.8325 762908.5526 18.8256 18.6422 PRESSURE: 2069200 -402.446 213.663 59.1272 213.663 -220.37 147.805 59.1272 147.807 -278.734 GPRESSURE: 2069200 -286.492 226.216 142.291 87.656 -240.265 118.218 99.3704 112.984 -289.419 PRESSAVG: 2069200 -19.793 41.2078 -8.12335 41.2078 13.2055 -43.4686 -8.12336 -43.4686 -7.84221 GPRESSAVG: 2069200 -19.9611 42.1055 -9.01136 39.0466 13.2578 -44.1024 -7.75903 -40.2945 -8.12619 TIMING: 2069200 CPU: 6540.52, 0.00314939/step Wall: 6540.52, 0.00314939/step, 2.56396 hours remaining, 237.140625 MB of memory in use. ENERGY: 2069200 3953.2244 20424.4330 14455.1699 234.3715 -203443.3260 2809.9843 0.0000 0.0000 52312.7704 -109253.3725 300.6422 -161566.1429 -108895.4406 299.0406 -300.5166 -272.0585 763063.2017 -4.8099 -4.9432 PRESSURE: 2069400 253.239 -19.7536 -34.9 -19.754 53.3753 90.97 -34.9002 90.9701 208.109 GPRESSURE: 2069400 166.196 33.4401 -40.3975 -15.4312 193.489 66.3106 -200.861 111.629 249.435 PRESSAVG: 2069400 -21.0723 47.9152 -21.1884 47.9152 3.03476 13.4379 -21.1883 13.4379 -11.0603 GPRESSAVG: 2069400 -20.2675 46.8927 -20.1455 50.8179 1.79621 14.4424 -22.5561 10.5901 -10.2543 TIMING: 2069400 CPU: 6541.15, 0.00314026/step Wall: 6541.15, 0.00314026/step, 2.55634 hours remaining, 237.140625 MB of memory in use. ENERGY: 2069400 3990.2915 20398.8543 14441.9923 245.0000 -203301.7060 2783.5710 0.0000 0.0000 52043.9171 -109398.0798 299.0971 -161441.9969 -109030.8019 299.0789 171.5743 203.0397 760457.6521 -9.6993 -9.5752 PRESSURE: 2069600 -307.31 66.6683 14.5629 66.6679 -220.754 -1.12315 14.5634 -1.12294 -664.235 GPRESSURE: 2069600 -323.334 121 118.94 -10.2353 -135.978 43.7012 89.0998 -53.4709 -651.392 PRESSAVG: 2069600 -34.4784 27.4647 -23.0555 27.4647 18.9437 38.1829 -23.0555 38.1829 5.59582 GPRESSAVG: 2069600 -35.4652 28.6705 -23.675 27.8369 19.7363 37.1163 -23.7263 38.8767 5.53496 TIMING: 2069600 CPU: 6541.78, 0.00313765/step Wall: 6541.78, 0.00313765/step, 2.55405 hours remaining, 237.140625 MB of memory in use. ENERGY: 2069600 4062.3398 20704.5202 14454.4981 248.5336 -203432.4289 2632.5716 0.0000 0.0000 51732.6154 -109597.3502 297.3081 -161329.9655 -109245.5661 299.1545 -397.4328 -370.2345 763960.8522 -3.3129 -3.3980 PRESSURE: 2069800 225.199 -117.187 -248.178 -117.187 -312.858 -9.14407 -248.178 -9.14315 -176.167 GPRESSURE: 2069800 175.081 -127.615 -259.319 -100.505 -210.994 72.1771 -86.9395 -111.741 -149.848 PRESSAVG: 2069800 10.2277 2.40844 -38.0239 2.40842 -36.3506 5.32833 -38.0239 5.32832 15.3021 GPRESSAVG: 2069800 10.4467 -0.0647905 -36.038 1.26627 -37.0275 5.23703 -38.0275 7.25667 15.6129 TIMING: 2069800 CPU: 6542.41, 0.00313796/step Wall: 6542.41, 0.00313796/step, 2.55412 hours remaining, 237.140625 MB of memory in use. ENERGY: 2069800 3926.4191 20484.3440 14515.7068 258.9092 -203483.3218 2736.3428 0.0000 0.0000 52134.1609 -109427.4390 299.6157 -161561.6000 -109058.2796 298.7508 -87.9417 -61.9207 763393.8277 -3.6069 -3.6559 PRESSURE: 2070000 -135.898 103.066 -50.5031 103.065 -296.704 -116.375 -50.503 -116.374 -110.265 GPRESSURE: 2070000 -186.893 25.6656 -163.564 -73.9507 -172.686 -80.8811 -20.368 9.24568 -99.6942 PRESSAVG: 2070000 1.4582 -6.15276 9.66109 -6.15281 -7.49974 -13.9222 9.66104 -13.9222 1.24814 GPRESSAVG: 2070000 1.4992 -5.12195 7.74191 -6.98964 -7.4911 -13.7131 11.2206 -15.5604 1.05836 TIMING: 2070000 CPU: 6543.04, 0.00314701/step Wall: 6543.04, 0.00314701/step, 2.56132 hours remaining, 237.140625 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: 2070000 3992.7259 20383.4770 14434.9835 252.2039 -203574.7157 2860.0794 0.0000 0.0000 52156.9105 -109494.3355 299.7465 -161651.2460 -109124.8988 298.9963 -180.9555 -153.0910 760522.1481 -1.5978 -1.6445 PRESSURE: 2070200 1.8226 169.887 -98.9411 169.887 -57.0173 102.455 -98.9415 102.456 445.655 GPRESSURE: 2070200 32.905 129.298 -140.48 99.9482 78.8449 118.787 39.7791 155.078 361.271 PRESSAVG: 2070200 -33.0925 7.78962 1.4413 7.78974 -18.3586 -60.6865 1.44132 -60.6865 10.1271 GPRESSAVG: 2070200 -33.3388 9.46677 3.24578 8.88415 -18.1378 -59.6358 0.134968 -59.2516 9.98139 TIMING: 2070200 CPU: 6543.66, 0.00312726/step Wall: 6543.66, 0.00312726/step, 2.54507 hours remaining, 237.199219 MB of memory in use. ENERGY: 2070200 3924.0214 20548.7572 14428.3703 250.0657 -203573.1258 2775.6826 0.0000 0.0000 52254.9954 -109391.2332 300.3102 -161646.2286 -109029.4062 298.8969 130.1536 157.6736 762619.2395 -13.7747 -13.8317 PRESSURE: 2070400 87.0986 -47.2398 52.312 -47.2403 -73.5321 -71.2156 52.3104 -71.2155 45.6245 GPRESSURE: 2070400 123.141 -65.6771 50.3724 1.92964 -164.543 -45.0786 66.5631 -50.7746 172.306 PRESSAVG: 2070400 -7.00152 -20.051 -17.2878 -20.0511 26.4254 -28.6735 -17.2878 -28.6735 33.6824 GPRESSAVG: 2070400 -5.9391 -23.8038 -18.7088 -17.869 25.4327 -27.7426 -15.78 -30.9261 33.6006 TIMING: 2070400 CPU: 6544.29, 0.00314243/step Wall: 6544.29, 0.00314243/step, 2.55724 hours remaining, 237.402344 MB of memory in use. ENERGY: 2070400 3991.1308 20528.5574 14428.3291 250.1016 -203535.6665 2611.3082 0.0000 0.0000 52335.4499 -109390.7895 300.7725 -161726.2394 -109034.4595 299.1614 19.7304 43.6345 761856.6875 17.7021 17.6981 PRESSURE: 2070600 -401.688 64.3964 -86.4811 64.3966 -457.135 -172.256 -86.4805 -172.256 -201.023 GPRESSURE: 2070600 -278.43 52.2912 -79.7545 57.7821 -495.487 -111.259 -27.9047 -142.774 -199.775 PRESSAVG: 2070600 1.56226 -1.95915 -41.5403 -1.95909 -2.24059 14.0428 -41.5403 14.0428 11.5809 GPRESSAVG: 2070600 1.03824 0.288049 -40.6794 -5.27658 -2.36487 12.574 -42.9864 15.8192 12.2041 TIMING: 2070600 CPU: 6544.92, 0.0031381/step Wall: 6544.92, 0.0031381/step, 2.55354 hours remaining, 237.402344 MB of memory in use. ENERGY: 2070600 3991.3568 20373.0653 14432.1107 250.8260 -202753.5518 2260.2284 0.0000 0.0000 51883.9318 -109562.0328 298.1777 -161445.9647 -109193.5166 299.1766 -353.2819 -324.5638 761672.6137 3.6342 3.6258 PRESSURE: 2070800 185.991 72.3919 -210.006 72.3923 -91.389 20.4729 -210.006 20.4723 143.402 GPRESSURE: 2070800 270.94 144.616 -185.016 -11.9721 -76.4134 22.5364 -147.54 75.8412 130.872 PRESSAVG: 2070800 -29.6091 -69.8697 -12.9069 -69.8697 -29.2516 24.4452 -12.907 24.4452 3.39853 GPRESSAVG: 2070800 -30.0674 -69.6619 -12.0503 -69.9214 -28.6936 24.7227 -13.1814 23.5043 3.66241 TIMING: 2070800 CPU: 6545.55, 0.00314406/step Wall: 6545.55, 0.00314406/step, 2.55822 hours remaining, 237.402344 MB of memory in use. ENERGY: 2070800 3932.5278 20433.4498 14433.0795 259.8678 -203472.3275 2842.4344 0.0000 0.0000 52049.5641 -109521.4042 299.1296 -161570.9683 -109157.7806 298.7597 79.3346 108.4663 761221.9863 -18.4874 -18.3662 PRESSURE: 2071000 -482.379 0.414423 -61.5553 0.41414 -524.363 -227.707 -61.5551 -227.706 164.25 GPRESSURE: 2071000 -506.589 148.279 -35.9611 -22.5307 -400.576 -191.693 -87.8526 -191.231 147.445 PRESSAVG: 2071000 -0.166291 -37.7161 -74.3674 -37.7161 8.24157 -16.4831 -74.3674 -16.4831 21.4997 GPRESSAVG: 2071000 -0.198769 -37.5429 -75.1234 -37.7206 8.56616 -16.7941 -75.0161 -17.6805 20.964 TIMING: 2071000 CPU: 6546.18, 0.00314206/step Wall: 6546.18, 0.00314206/step, 2.55642 hours remaining, 237.402344 MB of memory in use. ENERGY: 2071000 4015.9563 20489.5312 14436.1821 235.2953 -202555.7160 2093.9619 0.0000 0.0000 51838.0697 -109446.7195 297.9141 -161284.7892 -109083.1755 298.5590 -280.8304 -253.2397 763690.6704 9.8583 9.7771 PRESSURE: 2071200 177.562 113.353 -119.82 113.353 147.273 -415.847 -119.821 -415.846 244.612 GPRESSURE: 2071200 170.203 127.74 -131.634 2.55599 224.542 -341.74 -130.136 -236.155 241.751 PRESSAVG: 2071200 -2.27272 -10.7705 16.4018 -10.7705 -7.22547 8.0041 16.4017 8.00413 5.64705 GPRESSAVG: 2071200 -1.39487 -12.0614 16.6769 -9.69247 -8.2193 6.78591 16.0063 9.71412 5.84105 TIMING: 2071200 CPU: 6546.8, 0.00313488/step Wall: 6546.8, 0.00313488/step, 2.5504 hours remaining, 237.402344 MB of memory in use. ENERGY: 2071200 3978.4577 20410.8546 14444.0192 254.2673 -203496.9184 2903.1508 0.0000 0.0000 51844.3640 -109661.8048 297.9503 -161506.1688 -109299.0172 298.1371 189.8159 212.1653 763214.4282 -1.2837 -1.2577 PRESSURE: 2071400 -219.375 -50.1413 58.3694 -50.1412 -340.284 -67.5989 58.3695 -67.5991 68.4428 GPRESSURE: 2071400 -206.779 -137.632 79.5332 74.1773 -225.926 -84.4777 -48.5564 -63.6889 7.39879 PRESSAVG: 2071400 31.867 -34.9035 -3.93958 -34.9035 -4.67315 -33.2476 -3.93967 -33.2476 -2.66836 GPRESSAVG: 2071400 32.4761 -34.5531 -6.01775 -35.6998 -3.68595 -31.9023 -1.47926 -33.3205 -4.01954 TIMING: 2071400 CPU: 6547.43, 0.00315428/step Wall: 6547.43, 0.00315428/step, 2.566 hours remaining, 237.402344 MB of memory in use. ENERGY: 2071400 4023.1299 20551.9205 14452.8353 243.6628 -203595.7020 2756.9065 0.0000 0.0000 51957.5108 -109609.7361 298.6005 -161567.2469 -109248.8769 298.6444 -163.7388 -141.7685 762273.7160 8.1752 8.2569 PRESSURE: 2071600 -356.814 -79.3221 43.7013 -79.3221 162.225 -127.286 43.7012 -127.288 -69.7696 GPRESSURE: 2071600 -254.237 -39.3324 37.641 -186.696 144.66 -117.76 -7.3475 -157.155 -50.6298 PRESSAVG: 2071600 19.4651 3.60418 -4.85474 3.60418 -4.07428 -56.9674 -4.85474 -56.9674 -16.9356 GPRESSAVG: 2071600 18.0478 4.70479 -4.6885 3.54921 -3.49156 -57.2129 -6.95261 -58.3377 -16.049 TIMING: 2071600 CPU: 6548.06, 0.00314948/step Wall: 6548.06, 0.00314948/step, 2.56193 hours remaining, 237.402344 MB of memory in use. ENERGY: 2071600 3968.0065 20456.9347 14428.1769 244.9781 -203537.3396 2770.2114 0.0000 0.0000 51989.1912 -109679.8409 298.7826 -161669.0320 -109326.2361 298.5989 -88.1196 -53.4021 761626.4281 -0.5149 -0.4976 PRESSURE: 2071800 -98.2525 -5.69081 101.296 -5.6911 -2.57612 245.768 101.297 245.769 174.493 GPRESSURE: 2071800 -40.888 37.9436 89.0129 63.8627 75.5272 168.091 108.065 174.769 140.892 PRESSAVG: 2071800 9.04838 15.61 -22.6462 15.6101 17.7331 -42.2688 -22.6462 -42.2689 21.8344 GPRESSAVG: 2071800 10.1824 15.8194 -23.31 16.1977 16.7901 -42.9892 -22.3481 -41.6426 21.9401 TIMING: 2071800 CPU: 6548.69, 0.00314396/step Wall: 6548.69, 0.00314396/step, 2.55727 hours remaining, 237.605469 MB of memory in use. ENERGY: 2071800 3978.0440 20597.1373 14485.9580 240.4373 -203729.2622 2990.4258 0.0000 0.0000 51958.3312 -109478.9286 298.6052 -161437.2597 -109124.3221 299.0309 24.5547 58.5105 761418.1165 16.2053 16.3042 PRESSURE: 2072000 8.55022 -137.023 143.043 -137.023 204.815 3.73068 143.042 3.73068 -292.403 GPRESSURE: 2072000 -20.1001 -157.834 195.188 -150.629 223.244 -94.1394 123.933 138.4 -211.346 PRESSAVG: 2072000 0.682046 4.10053 34.1312 4.10049 -7.9551 15.0094 34.1312 15.0095 -10.6661 GPRESSAVG: 2072000 0.921998 3.81227 35.4837 5.46718 -7.82701 14.9518 36.0667 15.0879 -11.3568 TIMING: 2072000 CPU: 6549.32, 0.00314779/step Wall: 6549.32, 0.00314779/step, 2.5602 hours remaining, 237.605469 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: 2072000 4010.9493 20557.5720 14434.7580 239.5044 -203513.7855 2851.4235 0.0000 0.0000 51967.6294 -109451.9488 298.6587 -161419.5783 -109086.8547 298.9454 -26.3459 -2.7340 762055.7401 -5.9797 -6.0873 PRESSURE: 2072200 113.956 -316.807 -151.281 -316.806 -31.1016 -101.306 -151.281 -101.307 68.9549 GPRESSURE: 2072200 109.441 -255.888 -205.411 -370.3 81.992 -52.5906 -109.351 -154.545 57.4489 PRESSAVG: 2072200 1.15808 -66.8669 -22.0423 -66.8668 -21.5726 24.6925 -22.0423 24.6925 8.40401 GPRESSAVG: 2072200 -0.0729548 -67.9594 -21.0893 -67.8919 -21.4729 25.1925 -25.5173 23.976 9.75718 TIMING: 2072200 CPU: 6549.95, 0.00315932/step Wall: 6549.95, 0.00315932/step, 2.56941 hours remaining, 237.605469 MB of memory in use. ENERGY: 2072200 3992.0199 20458.7423 14446.3729 239.9708 -203511.0002 2815.5253 0.0000 0.0000 52173.0715 -109385.2975 299.8394 -161558.3690 -109023.6700 299.0454 50.6031 82.9606 761363.2786 -4.0035 -3.9296 LDB: ============= START OF LOAD BALANCING ============== 6562.48 LDB: ============== END OF LOAD BALANCING =============== 6562.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6562.49 LDB: ============= START OF LOAD BALANCING ============== 6562.8 LDB: Largest compute 7060 load 0.031214 is 16.0% of average load 0.195528 LDB: Average compute 0.004391 is 2.2% of average load 0.195528 LDB: TIME 6562.8 LOAD: AVG 0.195528 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 6562.81 LOAD: AVG 0.195528 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 6562.81 LOAD: AVG 0.195528 MAX 0.214441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 6562.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6562.81 PRESSURE: 2072400 -276.115 -51.9487 34.3337 -51.9484 -55.1964 -273.909 34.3329 -273.909 32.7859 GPRESSURE: 2072400 -240.133 -56.7547 78.0115 53.6235 -17.7491 -264.817 48.6265 -232.229 31.7101 PRESSAVG: 2072400 -9.2444 -0.723835 10.2057 -0.723833 -2.75839 15.5439 10.2057 15.5439 18.1936 GPRESSAVG: 2072400 -8.19979 -1.60695 9.84786 0.0578372 -2.77719 16.9914 12.2225 15.2422 16.8823 TIMING: 2072400 CPU: 6550.6, 0.00321382/step Wall: 6550.6, 0.00321382/step, 2.61355 hours remaining, 237.453125 MB of memory in use. ENERGY: 2072400 4052.8258 20502.5717 14461.6671 249.7053 -203835.6929 2775.3712 0.0000 0.0000 52156.3286 -109637.2234 299.7431 -161793.5520 -109271.9335 298.8650 -99.5084 -75.3907 761394.4226 2.0636 1.9684 PRESSURE: 2072600 144.626 -186.823 34.305 -186.822 -126.416 101.721 34.3058 101.722 137.047 GPRESSURE: 2072600 171.647 -260.155 20.384 -125.474 -115.203 180.253 16.313 -0.286322 169.095 PRESSAVG: 2072600 12.0253 27.0705 -52.5036 27.0705 51.6062 11.3422 -52.5035 11.3422 3.54548 GPRESSAVG: 2072600 11.199 28.1022 -53.3024 26.3477 52.0051 9.52354 -54.4597 11.9274 3.65264 TIMING: 2072600 CPU: 6551.23, 0.00314997/step Wall: 6551.23, 0.00314997/step, 2.56145 hours remaining, 237.726562 MB of memory in use. ENERGY: 2072600 4042.8634 20468.7168 14388.3770 244.5272 -203674.6287 2786.7253 0.0000 0.0000 52146.9765 -109596.4425 299.6894 -161743.4190 -109222.4472 299.3779 51.7526 75.1800 761919.1315 22.3923 22.2856 PRESSURE: 2072800 -213.73 -63.3185 158.842 -63.3184 -306.376 220.286 158.842 220.285 -340.533 GPRESSURE: 2072800 -211.562 -136.249 190.925 -98.6582 -261.304 199.761 185.387 206.092 -296.708 PRESSAVG: 2072800 -0.513008 -66.5459 -3.7298 -66.546 0.570713 40.6156 -3.72974 40.6156 18.0635 GPRESSAVG: 2072800 -1.43262 -65.8172 -2.28842 -68.4844 0.30302 39.881 -3.3437 41.6173 19.0303 TIMING: 2072800 CPU: 6551.86, 0.00315598/step Wall: 6551.86, 0.00315598/step, 2.56616 hours remaining, 237.726562 MB of memory in use. ENERGY: 2072800 4064.7899 20564.9045 14498.3824 263.4905 -202893.5125 2189.5210 0.0000 0.0000 51960.3410 -109352.0832 298.6168 -161312.4241 -108983.8550 299.2080 -286.8798 -256.5244 762368.1858 6.0404 5.9669 PRESSURE: 2073000 122.465 -16.8985 -139.445 -16.8976 -216.779 -31.8298 -139.446 -31.8306 -173.828 GPRESSURE: 2073000 209.879 16.1221 -147.252 -85.2766 -269.113 -36.6823 -165.721 -41.3483 -136.99 PRESSAVG: 2073000 32.8392 -62.9166 -27.1522 -62.9166 15.6545 -7.67849 -27.1522 -7.67849 -0.506295 GPRESSAVG: 2073000 34.6307 -63.6047 -28.7922 -62.5777 14.3394 -5.89168 -23.3568 -9.79104 -1.40322 TIMING: 2073000 CPU: 6552.49, 0.00316104/step Wall: 6552.49, 0.00316104/step, 2.5701 hours remaining, 237.726562 MB of memory in use. ENERGY: 2073000 3924.3625 20463.9358 14480.8375 249.3690 -203353.0060 2711.9377 0.0000 0.0000 51971.2387 -109551.3249 298.6794 -161522.5636 -109179.8230 298.8455 -89.3808 -65.4080 762438.2356 15.9958 15.8556 PRESSURE: 2073200 -66.8401 -105.399 -143.099 -105.4 -263.186 -246.392 -143.1 -246.39 -310.925 GPRESSURE: 2073200 -77.5473 -71.7438 -90.754 106.872 -136.229 -245.293 -76.5458 -160.261 -314.894 PRESSAVG: 2073200 31.7526 -26.6801 -4.44572 -26.68 -30.8258 -8.98831 -4.44573 -8.9883 3.77018 GPRESSAVG: 2073200 31.5576 -26.1964 -3.76514 -25.6737 -30.9359 -8.94719 -7.08658 -8.01464 4.54046 TIMING: 2073200 CPU: 6553.12, 0.003145/step Wall: 6553.12, 0.003145/step, 2.55688 hours remaining, 237.726562 MB of memory in use. ENERGY: 2073200 3962.2040 20533.0786 14403.7841 230.7902 -203565.1200 2728.9822 0.0000 0.0000 52029.4617 -109676.8192 299.0140 -161706.2809 -109308.4876 298.5111 -213.6507 -176.2236 760993.4022 1.5657 1.7207 PRESSURE: 2073400 132.556 -195.871 169.708 -195.871 -37.5472 332.882 169.708 332.881 238.217 GPRESSURE: 2073400 205.906 -198.674 169.364 -144.714 56.9264 438.998 169.143 324.142 169.265 PRESSAVG: 2073400 34.4422 -33.0358 -37.6608 -33.0358 -13.2419 26.8186 -37.6608 26.8186 11.4189 GPRESSAVG: 2073400 34.6283 -31.5199 -37.7482 -31.8541 -12.3699 27.5926 -37.792 27.2823 9.94143 TIMING: 2073400 CPU: 6553.75, 0.00315029/step Wall: 6553.75, 0.00315029/step, 2.56101 hours remaining, 237.726562 MB of memory in use. ENERGY: 2073400 3967.5554 20563.8457 14486.2475 220.2193 -203550.8913 2923.0418 0.0000 0.0000 52215.3800 -109174.6016 300.0825 -161389.9816 -108822.4986 299.3699 111.0755 144.0324 760719.8756 10.8731 10.7333 PRESSURE: 2073600 -442.219 -41.6438 75.4449 -41.6432 9.73889 12.5198 75.4454 12.5205 -523.555 GPRESSURE: 2073600 -383.754 -122.426 66.6126 -6.14979 21.0879 -15.4398 51.3781 -47.4911 -506.088 PRESSAVG: 2073600 83.921 -30.5142 12.552 -30.5142 -2.92835 14.3434 12.552 14.3434 -17.2392 GPRESSAVG: 2073600 83.2587 -30.1299 11.758 -30.8561 -2.96951 15.5716 13.0531 12.8886 -17.185 TIMING: 2073600 CPU: 6554.38, 0.00318037/step Wall: 6554.38, 0.00318037/step, 2.58529 hours remaining, 237.726562 MB of memory in use. ENERGY: 2073600 4072.7043 20482.9807 14486.5381 231.0466 -202860.0965 2258.2852 0.0000 0.0000 52160.7656 -109167.7760 299.7686 -161328.5416 -108799.5191 299.8144 -318.6785 -289.5850 763098.9271 21.2511 21.0347 PRESSURE: 2073800 -215.778 -92.0996 28.4274 -92.0993 -125.948 -8.20629 28.4268 -8.2058 -74.6322 GPRESSURE: 2073800 -107.211 -73.2832 -28.8192 -103.628 -174.312 -16.4787 12.2427 24.386 -32.5096 PRESSAVG: 2073800 -23.3226 -9.90078 3.53906 -9.90081 -10.8305 -6.5187 3.53897 -6.51869 11.9132 GPRESSAVG: 2073800 -23.6398 -13.0442 3.44226 -10.7561 -11.4747 -8.29269 1.53953 -5.74573 12.6083 TIMING: 2073800 CPU: 6555.01, 0.00314672/step Wall: 6555.01, 0.00314672/step, 2.55776 hours remaining, 237.726562 MB of memory in use. ENERGY: 2073800 4064.2167 20601.7921 14451.3983 245.1531 -203286.5702 2619.7401 0.0000 0.0000 52180.6396 -109123.6303 299.8829 -161304.2699 -108765.2751 300.0939 -138.7859 -104.6776 762206.1317 -7.4133 -7.5021 PRESSURE: 2074000 107.559 267.991 -265.379 267.992 226.11 111.554 -265.379 111.554 358.842 GPRESSURE: 2074000 197.976 197.421 -235.701 124.596 190.984 69.8657 -119.759 20.1058 393.195 PRESSAVG: 2074000 -8.37084 18.501 -71.1704 18.501 3.15276 73.2107 -71.1704 73.2108 -1.63322 GPRESSAVG: 2074000 -8.20188 17.9049 -69.8877 19.6582 3.09741 73.1139 -71.3311 73.7471 -1.64653 TIMING: 2074000 CPU: 6555.65, 0.00317248/step Wall: 6555.65, 0.00317248/step, 2.57852 hours remaining, 237.726562 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: 2074000 4057.7057 20547.6182 14399.0396 266.4487 -203255.6119 2689.6784 0.0000 0.0000 52291.8291 -109003.2921 300.5219 -161295.1212 -108646.3311 299.8454 230.8370 260.7183 763079.2267 -2.2838 -2.2503 PRESSURE: 2074200 -188.287 -50.5254 227.197 -50.5255 97.4761 188.159 227.195 188.159 236.529 GPRESSURE: 2074200 -105.122 -59.541 133.563 -50.0551 73.5348 283.959 303.22 95.2394 273.947 PRESSAVG: 2074200 34.1801 -6.46988 -54.6366 -6.46992 -39.2624 33.5391 -54.6365 33.5391 3.99256 GPRESSAVG: 2074200 33.4329 -3.54904 -55.8157 -9.55736 -38.8037 34.3346 -53.3875 34.2255 4.78451 TIMING: 2074200 CPU: 6556.28, 0.00316679/step Wall: 6556.28, 0.00316679/step, 2.57372 hours remaining, 237.726562 MB of memory in use. ENERGY: 2074200 4054.2118 20657.2454 14534.8304 230.1280 -203433.2081 2812.7596 0.0000 0.0000 52041.1049 -109102.9280 299.0809 -161144.0329 -108736.4059 300.1368 48.5726 80.7864 763183.0018 -0.3632 -0.1954 PRESSURE: 2074400 129.464 86.9918 -65.1491 86.9916 -351.484 -275.535 -65.1486 -275.535 78.7861 GPRESSURE: 2074400 127.346 105.41 -24.8656 52.0414 -253.21 -159.312 -105.976 -196.948 67.2533 PRESSAVG: 2074400 20.4873 -45.6005 -26.8683 -45.6005 -10.0501 19.6646 -26.8683 19.6647 9.99472 GPRESSAVG: 2074400 21.3956 -45.9852 -27.0967 -44.8413 -8.90013 19.6135 -27.999 16.7883 8.20519 TIMING: 2074400 CPU: 6556.92, 0.00317231/step Wall: 6556.92, 0.00317231/step, 2.57803 hours remaining, 237.726562 MB of memory in use. ENERGY: 2074400 4040.6154 20584.0392 14516.2861 254.0613 -203267.3500 2751.8691 0.0000 0.0000 52045.3793 -109075.0996 299.1055 -161120.4789 -108712.8141 299.5591 -47.7448 -19.5371 763686.3033 6.8106 6.9002 PRESSURE: 2074600 203.566 -106.563 -22.5791 -106.563 159.157 -5.67117 -22.5787 -5.67221 160.027 GPRESSURE: 2074600 243.689 -169.02 -34.2594 -160.954 132.921 11.4989 -134.278 -83.7469 229.547 PRESSAVG: 2074600 4.20652 -75.629 0.741716 -75.629 7.58556 -14.6879 0.741713 -14.6879 -1.23397 GPRESSAVG: 2074600 2.65909 -73.6626 -0.156561 -76.0361 6.83 -14.293 0.950132 -15.8699 0.707472 TIMING: 2074600 CPU: 6557.55, 0.00315182/step Wall: 6557.55, 0.00315182/step, 2.56121 hours remaining, 237.726562 MB of memory in use. ENERGY: 2074600 3886.3671 20383.2493 14496.5351 262.5632 -203158.3629 2840.8281 0.0000 0.0000 52196.7247 -109092.0954 299.9753 -161288.8201 -108726.5435 299.4361 174.2497 202.0522 765383.4132 3.5194 3.3989 PRESSURE: 2074800 -176.991 178.096 -51.9438 178.096 26.179 -69.5451 -51.9433 -69.5461 190.968 GPRESSURE: 2074800 -111.819 106.077 -19.2312 145.376 44.3747 -95.7842 46.9204 39.8522 150.384 PRESSAVG: 2074800 -12.2721 -24.9834 10.4969 -24.9833 4.88738 40.6888 10.497 40.689 -8.0218 GPRESSAVG: 2074800 -10.2871 -25.6331 11.9602 -24.6458 3.60679 39.5592 9.65498 44.2141 -9.21842 TIMING: 2074800 CPU: 6558.18, 0.00314296/step Wall: 6558.18, 0.00314297/step, 2.55383 hours remaining, 237.726562 MB of memory in use. ENERGY: 2074800 3996.6752 20600.2443 14512.8575 254.1110 -203482.2544 2671.7925 0.0000 0.0000 52317.3833 -109129.1907 300.6687 -161446.5740 -108776.2844 299.3848 13.3851 27.6464 763396.2819 -5.1355 -5.2996 PRESSURE: 2075000 -110.124 -119.058 7.6697 -119.058 -133.882 84.1617 7.66912 84.1613 -288.746 GPRESSURE: 2075000 -144.391 -88.9089 -66.9657 -143.453 -42.641 22.9866 144.075 199.092 -262.554 PRESSAVG: 2075000 -5.22649 -25.2056 36.5195 -25.2056 -9.06655 0.667192 36.5195 0.667143 13.1497 GPRESSAVG: 2075000 -5.8365 -26.9478 35.8429 -23.045 -8.61111 1.69151 37.448 -1.12533 12.9357 TIMING: 2075000 CPU: 6558.81, 0.00315208/step Wall: 6558.81, 0.00315208/step, 2.56106 hours remaining, 237.726562 MB of memory in use. ENERGY: 2075000 4025.5155 20426.6526 14428.5916 265.9179 -203509.2065 2980.7238 0.0000 0.0000 52398.5525 -108983.2526 301.1352 -161381.8052 -108606.4395 299.8210 -177.5839 -149.8619 763508.6629 -0.3811 -0.5040 PRESSURE: 2075200 71.3719 -7.68799 12.7265 -7.68876 60.4276 -59.9528 12.7265 -59.9534 -155.967 GPRESSURE: 2075200 131.193 5.27442 114.284 75.7462 15.2799 -15.3542 50.4506 12.7136 -95.6484 PRESSAVG: 2075200 -7.32952 -6.72706 31.3905 -6.727 -3.97359 22.4569 31.3905 22.4569 6.76837 GPRESSAVG: 2075200 -7.41387 -4.98899 31.9389 -7.91071 -4.70199 21.4956 30.6804 23.5073 7.33303 TIMING: 2075200 CPU: 6559.43, 0.00314528/step Wall: 6559.43, 0.00314528/step, 2.55537 hours remaining, 237.726562 MB of memory in use. ENERGY: 2075200 3952.0190 20520.0661 14457.2730 246.4247 -203413.5290 2821.7576 0.0000 0.0000 52043.2299 -109372.7587 299.0932 -161415.9886 -109011.8202 299.7086 -8.0560 16.9415 761433.9933 -1.5116 -1.5943 PRESSURE: 2075400 -306.933 -93.6276 -84.2664 -93.6275 -420.247 174.73 -84.2671 174.729 -195.692 GPRESSURE: 2075400 -301.916 -138.198 -77.2652 -11.8684 -427.051 150.679 -124.363 193.916 -113.928 PRESSAVG: 2075400 49.5967 1.69988 -2.52927 1.69988 -17.2079 53.5638 -2.52929 53.5638 7.24844 GPRESSAVG: 2075400 49.3329 0.430323 -3.06045 1.67592 -16.5442 55.3167 -1.83672 52.6471 7.14475 TIMING: 2075400 CPU: 6560.07, 0.00315206/step Wall: 6560.07, 0.00315206/step, 2.5607 hours remaining, 237.726562 MB of memory in use. ENERGY: 2075400 3932.5325 20470.0726 14510.8775 251.6975 -203310.9340 2634.2863 0.0000 0.0000 52058.4156 -109453.0519 299.1804 -161511.4675 -109096.7779 298.7487 -307.6240 -280.9647 762734.0051 13.2124 13.3111 PRESSURE: 2075600 296.375 19.7432 5.12048 19.7435 -96.0313 -202.175 5.12005 -202.175 -57.5408 GPRESSURE: 2075600 222.458 16.3394 -12.8774 -36.0894 69.3756 -129.251 21.894 -205.706 -51.2419 PRESSAVG: 2075600 -21.3428 -18.1293 -0.374764 -18.1293 22.25 20.4996 -0.374761 20.4996 -14.5606 GPRESSAVG: 2075600 -21.8579 -19.5601 -0.702664 -17.5319 22.8912 19.2085 -0.78165 22.7159 -14.3892 TIMING: 2075600 CPU: 6560.69, 0.00314637/step Wall: 6560.69, 0.00314637/step, 2.5559 hours remaining, 237.726562 MB of memory in use. ENERGY: 2075600 3944.6967 20374.0560 14450.8886 248.7662 -203183.5435 2794.2839 0.0000 0.0000 51993.8961 -109376.9561 298.8096 -161370.8522 -109011.4141 299.0374 47.6011 80.1973 760680.5837 -4.5511 -4.4519 PRESSURE: 2075800 -254.608 243.773 -16.8039 243.774 -129.552 32.7477 -16.8045 32.7472 117.412 GPRESSURE: 2075800 -160.252 190.867 -27.1881 172.073 -80.6602 41.7571 -80.1113 19.2902 63.3673 PRESSAVG: 2075800 -7.01975 -34.1162 -8.36261 -34.1162 7.92144 28.2638 -8.36265 28.2638 0.0191198 GPRESSAVG: 2075800 -5.94499 -33.0685 -8.42226 -36.0373 7.35147 27.6089 -6.82853 26.6653 -0.774287 TIMING: 2075800 CPU: 6561.32, 0.00315102/step Wall: 6561.32, 0.00315102/step, 2.5595 hours remaining, 237.726562 MB of memory in use. ENERGY: 2075800 3933.9740 20421.2569 14453.7975 239.3094 -203063.0166 2742.0178 0.0000 0.0000 51940.7456 -109331.9152 298.5042 -161272.6608 -108967.6102 298.9414 -88.9160 -59.1816 762491.1821 0.3069 0.2107 PRESSURE: 2076000 167.451 -35.1384 -107.634 -35.1386 -211.032 -67.2296 -107.635 -67.2293 -36.5244 GPRESSURE: 2076000 132.017 99.5806 -24.0826 -39.7663 -129.01 29.4279 -71.5602 -71.6571 -10.7827 PRESSAVG: 2076000 -13.7083 0.0854984 -13.7696 0.0854751 -1.99163 24.7323 -13.7696 24.7323 12.7435 GPRESSAVG: 2076000 -14.3205 0.157707 -13.1568 1.90276 -2.12718 24.7866 -14.4742 25.3205 13.4424 TIMING: 2076000 CPU: 6561.96, 0.00315388/step Wall: 6561.96, 0.00315388/step, 2.56166 hours remaining, 237.726562 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: 2076000 4011.4682 20445.8196 14487.3426 249.4530 -203111.8633 2879.1518 0.0000 0.0000 51631.9506 -109406.6776 296.7295 -161038.6282 -109050.8241 298.8495 -26.7018 -2.5919 762585.0005 -0.9854 -1.0017 PRESSURE: 2076200 310.182 -18.8587 98.6657 -18.8591 -150.52 -9.29565 98.6653 -9.29565 -265.78 GPRESSURE: 2076200 256.597 -35.833 173.138 74.426 -39.256 -170.776 26.3332 154.714 -230.839 PRESSAVG: 2076200 36.9499 -15.1891 34.579 -15.1891 -4.35937 -18.6536 34.5791 -18.6536 18.7266 GPRESSAVG: 2076200 37.0946 -15.655 34.0937 -15.1785 -3.72028 -18.7536 36.1004 -18.122 18.471 TIMING: 2076200 CPU: 6562.59, 0.00315757/step Wall: 6562.59, 0.00315757/step, 2.56447 hours remaining, 237.726562 MB of memory in use. ENERGY: 2076200 4029.9323 20264.3496 14425.4600 263.5480 -203210.9998 2659.7578 0.0000 0.0000 52201.8565 -109366.0955 300.0048 -161567.9520 -109008.5400 298.7734 -35.3727 -4.4994 761802.3832 17.1057 17.2818 LDB: ============= START OF LOAD BALANCING ============== 6575.12 LDB: ============== END OF LOAD BALANCING =============== 6575.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6575.12 LDB: ============= START OF LOAD BALANCING ============== 6575.44 LDB: Largest compute 7059 load 0.029815 is 15.2% of average load 0.195594 LDB: Average compute 0.004386 is 2.2% of average load 0.195594 LDB: TIME 6575.44 LOAD: AVG 0.195594 MAX 0.216242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.359 MB LDB: TIME 6575.44 LOAD: AVG 0.195594 MAX 0.216242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 6575.44 LOAD: AVG 0.195594 MAX 0.216242 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 6575.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6575.45 PRESSURE: 2076400 -112.025 -100.164 -108.3 -100.165 97.765 -54.9355 -108.299 -54.9353 -358.075 GPRESSURE: 2076400 -86.8901 -155.826 -120.295 18.2739 72.5646 -59.8608 -142.798 -13.3602 -269.736 PRESSAVG: 2076400 29.8713 -10.1767 59.0464 -10.1767 -9.85686 9.81763 59.0463 9.81774 18.218 GPRESSAVG: 2076400 29.3524 -7.83071 59.2554 -12.8774 -9.88101 8.2037 54.5525 9.84578 18.7248 TIMING: 2076400 CPU: 6563.23, 0.00321742/step Wall: 6563.23, 0.00321742/step, 2.6129 hours remaining, 234.882812 MB of memory in use. ENERGY: 2076400 4024.6045 20232.0905 14524.9917 242.5235 -203224.0436 2516.9444 0.0000 0.0000 52232.9460 -109449.9431 300.1835 -161682.8892 -109083.9817 299.0652 -124.1118 -94.6872 761827.7933 12.7442 12.7321 PRESSURE: 2076600 48.1235 255.052 -86.3714 255.053 -218.546 186.309 -86.3713 186.309 -111.355 GPRESSURE: 2076600 64.516 130.234 -8.20464 243.77 -167.379 179.949 -97.9496 78.9614 -111.692 PRESSAVG: 2076600 15.3496 -8.41526 -24.4099 -8.41526 -19.7327 9.3625 -24.4099 9.36255 -25.468 GPRESSAVG: 2076600 15.615 -11.577 -23.5647 -5.44976 -20.107 10.2185 -23.4753 7.60725 -25.2658 TIMING: 2076600 CPU: 6563.86, 0.0031424/step Wall: 6563.86, 0.0031424/step, 2.55181 hours remaining, 234.882812 MB of memory in use. ENERGY: 2076600 4041.6244 20377.7645 14504.5821 224.9427 -203568.3272 2954.9568 0.0000 0.0000 52184.4963 -109279.9604 299.9050 -161464.4567 -108925.3369 299.2161 -93.9259 -71.5184 762759.1127 -9.9504 -9.9193 PRESSURE: 2076800 102.492 -68.8366 131.434 -68.837 113.882 113.033 131.434 113.032 9.07401 GPRESSURE: 2076800 247.742 55.1005 147.995 -62.9031 87.4392 82.3439 112.694 99.6377 -10.5794 PRESSAVG: 2076800 44.4113 -18.3027 -10.7111 -18.3026 -0.685481 17.9112 -10.7111 17.9113 1.52934 GPRESSAVG: 2076800 45.4875 -14.0274 -10.5803 -19.0264 -1.42527 18.9275 -8.47033 17.8419 1.59262 TIMING: 2076800 CPU: 6564.49, 0.00314821/step Wall: 6564.49, 0.00314821/step, 2.55635 hours remaining, 234.882812 MB of memory in use. ENERGY: 2076800 3987.7362 20611.0305 14450.2306 256.6267 -203526.8216 2850.1943 0.0000 0.0000 51876.1429 -109494.8605 298.1329 -161371.0034 -109136.1847 298.9703 75.1495 108.2007 762176.9096 15.0850 15.2183 PRESSURE: 2077000 492.082 -128.373 -211.475 -128.373 124.684 -186.153 -211.475 -186.153 548.531 GPRESSURE: 2077000 553.159 -249.136 -190.744 -98.4979 159.786 -198.927 -248.685 -270.847 527.008 PRESSAVG: 2077000 30.8648 -31.1142 5.6986 -31.1141 -4.50377 30.5841 5.69864 30.584 -18.8585 GPRESSAVG: 2077000 29.3359 -33.9515 3.63509 -31.0961 -3.63728 30.4299 5.69413 31.6511 -18.2198 TIMING: 2077000 CPU: 6565.12, 0.00316898/step Wall: 6565.12, 0.00316898/step, 2.57303 hours remaining, 234.882812 MB of memory in use. ENERGY: 2077000 3960.3092 20461.6519 14518.8169 241.6543 -203903.7568 3048.8962 0.0000 0.0000 52051.0992 -109621.3291 299.1384 -161672.4283 -109255.6105 298.4408 388.4327 413.3181 761964.0935 2.5008 2.4929 PRESSURE: 2077200 -48.3358 -94.0261 -86.8376 -94.0266 -353.092 -2.71962 -86.8372 -2.71886 -232.803 GPRESSURE: 2077200 -55.6231 -140.421 -46.0466 17.3477 -291.543 -103.438 25.6959 24.7682 -219.144 PRESSAVG: 2077200 1.57679 -39.4769 -59.615 -39.4768 6.4856 40.5007 -59.6149 40.5006 26.9089 GPRESSAVG: 2077200 0.933587 -39.3589 -57.4344 -38.7357 7.03931 39.0363 -60.4561 38.2349 26.5553 TIMING: 2077200 CPU: 6565.75, 0.0031506/step Wall: 6565.75, 0.0031506/step, 2.55794 hours remaining, 234.882812 MB of memory in use. ENERGY: 2077200 3947.2210 20655.4659 14415.9127 240.6148 -203331.2338 2620.6518 0.0000 0.0000 51820.5122 -109630.8554 297.8132 -161451.3677 -109268.3661 298.4810 -211.4100 -188.7702 763299.0705 11.6571 11.5094 PRESSURE: 2077400 290.285 -10.0983 -239.113 -10.0988 66.3245 -210.67 -239.112 -210.672 450.794 GPRESSURE: 2077400 309.879 8.47766 -271.003 39.1969 178.804 -115.262 -227.525 -111.95 401.486 PRESSAVG: 2077400 37.4805 7.3676 32.5144 7.36761 4.14962 -19.9088 32.5144 -19.9089 -7.58081 GPRESSAVG: 2077400 38.6367 9.03975 30.5863 5.49946 2.9142 -17.5752 31.3783 -17.0688 -7.16798 TIMING: 2077400 CPU: 6566.38, 0.00313801/step Wall: 6566.38, 0.00313801/step, 2.54754 hours remaining, 234.882812 MB of memory in use. ENERGY: 2077400 3943.4337 20444.4523 14463.3233 246.0130 -203928.8801 3119.0738 0.0000 0.0000 51968.7060 -109743.8779 298.6649 -161712.5839 -109388.7639 298.2890 269.1345 296.7230 760089.8115 11.3498 11.4610 PRESSURE: 2077600 -245.425 77.9724 -226.809 77.9725 -358.165 80.6426 -226.809 80.6426 -377.703 GPRESSURE: 2077600 -251.159 2.48482 -185.986 67.4915 -323.793 185.047 -282.228 150.8 -307.537 PRESSAVG: 2077600 58.9267 -33.7402 20.2869 -33.7402 -20.5342 24.3739 20.2869 24.3739 -4.56773 GPRESSAVG: 2077600 58.4104 -33.6307 19.6225 -34.1688 -19.4676 23.1075 21.4585 23.6492 -5.05492 TIMING: 2077600 CPU: 6567.01, 0.00314421/step Wall: 6567.01, 0.00314421/step, 2.5524 hours remaining, 234.882812 MB of memory in use. ENERGY: 2077600 4030.9736 20454.6255 14419.8872 237.2489 -203378.5821 2353.6052 0.0000 0.0000 52058.3272 -109823.9144 299.1799 -161882.2417 -109460.8596 298.4596 -327.0977 -294.1629 762474.4005 11.2749 11.2960 PRESSURE: 2077800 131.807 92.3001 104.698 92.2999 -85.8477 22.5548 104.698 22.5559 -15.8362 GPRESSURE: 2077800 128.439 -32.3738 54.5062 14.6533 41.1227 118.903 7.04048 36.2137 -55.0702 PRESSAVG: 2077800 68.0839 -41.1332 40.8845 -41.1332 -34.6652 53.6751 40.8845 53.675 -5.04433 GPRESSAVG: 2077800 68.5607 -41.9691 41.2196 -41.0464 -34.2175 53.6835 40.4328 52.4054 -5.46626 TIMING: 2077800 CPU: 6567.64, 0.00316027/step Wall: 6567.64, 0.00316027/step, 2.56526 hours remaining, 234.882812 MB of memory in use. ENERGY: 2077800 3994.8239 20419.9298 14490.3558 239.3703 -203683.3855 2887.4689 0.0000 0.0000 51638.0439 -110013.3929 296.7645 -161651.4368 -109642.0351 297.6376 10.0410 38.1638 761631.5313 9.4581 9.6256 PRESSURE: 2078000 -118.957 -245.149 101.938 -245.149 -229.964 -45.968 101.939 -45.9682 -304.066 GPRESSURE: 2078000 -158.017 -160.693 107.133 -223.428 -127.139 -23.6807 22.0215 54.2204 -290.912 PRESSAVG: 2078000 32.9536 4.97778 42.6525 4.9779 -36.7017 62.5492 42.6525 62.5493 6.71886 GPRESSAVG: 2078000 33.9817 4.30301 42.4371 5.85116 -38.3914 63.0714 41.5701 62.2272 7.43251 TIMING: 2078000 CPU: 6568.27, 0.00315329/step Wall: 6568.27, 0.00315329/step, 2.55942 hours remaining, 234.882812 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: 2078000 4011.7885 20347.4442 14500.9567 230.6468 -203630.2350 2674.4698 0.0000 0.0000 51942.1928 -109922.7363 298.5125 -161864.9291 -109549.9955 297.8958 -217.6621 -192.0228 763378.8292 0.9903 1.0076 PRESSURE: 2078200 -149.519 -87.4637 132.147 -87.4627 -93.1285 48.5195 132.147 48.5193 -303.648 GPRESSURE: 2078200 -37.4515 -64.399 120.99 16.0288 -125.737 58.5276 131.35 -13.5308 -314.06 PRESSAVG: 2078200 109.429 -15.667 -29.7795 -15.667 -70.1533 47.4139 -29.7795 47.4139 -13.1546 GPRESSAVG: 2078200 108.67 -15.8729 -27.5967 -14.2605 -69.6353 46.2371 -27.7118 47.4789 -12.7131 TIMING: 2078200 CPU: 6568.9, 0.00314744/step Wall: 6568.9, 0.00314744/step, 2.5545 hours remaining, 234.882812 MB of memory in use. ENERGY: 2078200 4001.7819 20497.2158 14344.5292 264.6264 -203619.1432 2703.1286 0.0000 0.0000 51902.8444 -109905.0169 298.2864 -161807.8613 -109540.5922 298.2587 -182.0984 -159.0830 761936.1702 8.7070 8.7738 PRESSURE: 2078400 -118.68 1.70836 -101.425 1.70878 -137.112 57.4545 -101.425 57.4552 171.305 GPRESSURE: 2078400 -16.8739 -61.129 -116.333 -58.894 -183.501 110.972 7.28361 45.8464 197.376 PRESSAVG: 2078400 -38.7706 -4.81941 27.9819 -4.81936 51.0857 -17.7403 27.9819 -17.7402 7.96077 GPRESSAVG: 2078400 -38.9851 -6.26171 29.1141 -5.46154 50.6865 -17.7234 29.201 -16.1185 8.37321 TIMING: 2078400 CPU: 6569.53, 0.00315268/step Wall: 6569.53, 0.00315268/step, 2.55858 hours remaining, 234.882812 MB of memory in use. ENERGY: 2078400 4023.1807 20426.5378 14468.2720 277.3272 -203671.9157 2833.2769 0.0000 0.0000 51864.3828 -109778.9384 298.0653 -161643.3212 -109421.4305 298.6352 -28.1626 -0.9996 760915.2540 6.7586 6.6915 PRESSURE: 2078600 151.902 -129.094 133.308 -129.094 101.719 205.978 133.308 205.979 77.7731 GPRESSURE: 2078600 134.404 -101.39 149.174 -211.831 140.283 383.005 90.3456 118.762 135.394 PRESSAVG: 2078600 -71.6265 2.76935 -4.16571 2.76936 16.9958 4.35829 -4.16573 4.35835 0.891653 GPRESSAVG: 2078600 -71.4656 4.06876 -6.80903 2.54028 17.5604 6.0997 -5.558 1.02525 0.768087 TIMING: 2078600 CPU: 6570.16, 0.00315133/step Wall: 6570.16, 0.00315133/step, 2.5573 hours remaining, 234.882812 MB of memory in use. ENERGY: 2078600 4022.0655 20481.9952 14417.4843 263.6159 -203362.6660 2735.2581 0.0000 0.0000 51964.3872 -109477.8598 298.6400 -161442.2470 -109119.7635 298.9067 110.4648 136.6936 762141.9086 -17.9130 -17.7124 PRESSURE: 2078800 -156.839 -50.9249 103.466 -50.9244 -43.3498 -148.239 103.467 -148.238 -134.397 GPRESSURE: 2078800 -130.829 -100.818 120.572 -79.7596 -9.16619 -96.5034 45.9691 -134.23 -120.355 PRESSAVG: 2078800 -7.30659 -6.7247 -16.8356 -6.72466 1.01069 63.2549 -16.8356 63.2549 10.2118 GPRESSAVG: 2078800 -6.35508 -7.76349 -14.6968 -6.57105 0.948982 62.9934 -17.5828 64.2896 9.29538 TIMING: 2078800 CPU: 6570.79, 0.00314589/step Wall: 6570.79, 0.00314589/step, 2.55272 hours remaining, 234.882812 MB of memory in use. ENERGY: 2078800 3904.8007 20565.7091 14388.8233 254.5121 -203761.5917 2983.1851 0.0000 0.0000 52094.2894 -109570.2718 299.3866 -161664.5613 -109197.7160 298.7348 -111.5287 -86.7833 761445.8639 1.3053 1.2964 PRESSURE: 2079000 -382.675 36.543 -65.8695 36.5429 12.5975 161.994 -65.87 161.993 -105.17 GPRESSURE: 2079000 -273.863 -35.2139 -44.0303 -148.81 -36.9834 190.691 -112.705 161.148 -69.8596 PRESSAVG: 2079000 1.07821 -19.0097 45.5188 -19.0097 11.9014 59.5146 45.5188 59.5146 1.66636 GPRESSAVG: 2079000 0.97049 -18.386 42.6009 -20.5641 11.2158 59.0662 46.4552 61.2964 3.09645 TIMING: 2079000 CPU: 6571.42, 0.00315571/step Wall: 6571.42, 0.00315571/step, 2.56051 hours remaining, 234.882812 MB of memory in use. ENERGY: 2079000 4076.2651 20510.4179 14462.1012 227.2412 -203717.9509 2826.3347 0.0000 0.0000 52038.4808 -109577.1100 299.0659 -161615.5909 -109208.3483 298.7550 -158.4158 -126.9019 760349.8098 4.8820 5.0942 PRESSURE: 2079200 -134.218 -87.1351 -360.655 -87.1354 -66.7869 -267.713 -360.654 -267.714 383.086 GPRESSURE: 2079200 -125.145 -170.801 -338.414 -41.5217 15.09 -176.662 -366.027 -470.668 373.796 PRESSAVG: 2079200 0.174013 -21.9624 -56.2113 -21.9624 5.74343 -4.81906 -56.2113 -4.81913 17.9526 GPRESSAVG: 2079200 -0.101365 -21.2358 -54.577 -21.1389 6.53343 -6.15366 -56.1224 -3.79193 17.2809 TIMING: 2079200 CPU: 6572.05, 0.00315013/step Wall: 6572.05, 0.00315013/step, 2.55581 hours remaining, 234.882812 MB of memory in use. ENERGY: 2079200 4051.0138 20561.2171 14478.4394 281.6021 -203282.0225 2576.5866 0.0000 0.0000 51806.7347 -109526.4288 297.7340 -161333.1635 -109164.8512 298.9011 60.6938 87.9138 760947.2379 7.9567 7.9043 PRESSURE: 2079400 -23.8727 -135.24 -140.317 -135.241 114.804 -98.8635 -140.317 -98.8631 -77.5648 GPRESSURE: 2079400 9.02869 -52.2606 -114.253 -116.624 69.8097 -91.7109 -57.8323 -45.6002 27.8546 PRESSAVG: 2079400 11.0753 -67.9114 41.7319 -67.9114 -10.2598 24.7999 41.7319 24.7999 16.1416 GPRESSAVG: 2079400 11.065 -68.1007 41.7692 -68.0439 -9.63936 24.7921 41.294 22.3098 15.6303 TIMING: 2079400 CPU: 6572.69, 0.00316617/step Wall: 6572.69, 0.00316617/step, 2.56864 hours remaining, 234.882812 MB of memory in use. ENERGY: 2079400 3925.5374 20569.2931 14464.5211 229.3846 -203348.0321 2635.0872 0.0000 0.0000 52077.5166 -109446.6921 299.2902 -161524.2088 -109081.6743 298.7485 4.4556 35.5643 761390.4215 5.6523 5.6853 PRESSURE: 2079600 -545.626 -169.062 171.436 -169.061 -346.985 -103.867 171.435 -103.868 -579.803 GPRESSURE: 2079600 -382.15 -93.9985 147.781 -68.8055 -429.478 -100.904 103.676 -116.134 -555.395 PRESSAVG: 2079600 29.7904 -45.7407 24.8342 -45.7407 -4.4213 36.9015 24.8342 36.9014 -13.3549 GPRESSAVG: 2079600 29.4952 -44.1859 23.8043 -45.2019 -4.42943 38.1404 25.8705 38.8834 -13.2374 TIMING: 2079600 CPU: 6573.32, 0.00316411/step Wall: 6573.32, 0.00316411/step, 2.56679 hours remaining, 234.882812 MB of memory in use. ENERGY: 2079600 4117.7701 20570.3678 14445.1451 263.1036 -203779.7130 2978.5791 0.0000 0.0000 52052.1245 -109352.6228 299.1443 -161404.7473 -108998.7078 298.8246 -490.8048 -455.6741 763808.2839 4.0047 3.9428 PRESSURE: 2079800 58.328 119.052 -110.576 119.052 17.0883 42.7457 -110.576 42.7459 155.673 GPRESSURE: 2079800 45.9426 135.169 -21.856 27.4108 84.7315 -7.45154 -193.58 -44.2584 176.448 PRESSAVG: 2079800 37.0396 -15.0978 26.0894 -15.0977 -33.7769 -45.6296 26.0894 -45.6297 -5.13241 GPRESSAVG: 2079800 36.7848 -16.9447 26.9397 -17.3715 -34.5978 -46.2555 26.2488 -46.0937 -4.27534 TIMING: 2079800 CPU: 6573.95, 0.00315675/step Wall: 6573.95, 0.00315675/step, 2.56065 hours remaining, 234.882812 MB of memory in use. ENERGY: 2079800 4010.2019 20383.6112 14472.6230 263.5813 -203235.6692 2637.1266 0.0000 0.0000 51988.4230 -109480.1023 298.7782 -161468.5252 -109111.3961 298.6966 77.0297 102.3742 764025.2348 -0.6232 -0.6961 PRESSURE: 2080000 -36.8799 39.1731 77.5694 39.1738 33.0071 -107.667 77.5689 -107.666 387.761 GPRESSURE: 2080000 -19.112 7.46962 36.499 -43.2538 103.757 -116.561 -2.64669 0.00391439 366.569 PRESSAVG: 2080000 4.4908 10.2875 37.6419 10.2875 -36.8923 13.4346 37.6419 13.4346 -5.03922 GPRESSAVG: 2080000 3.35997 11.6042 37.1389 11.1283 -35.6761 13.8382 35.46 12.0159 -5.45559 TIMING: 2080000 CPU: 6574.58, 0.00317052/step Wall: 6574.58, 0.00317052/step, 2.57164 hours remaining, 234.882812 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: 2080000 3953.1399 20578.3118 14461.5087 246.5432 -203215.5579 2736.0235 0.0000 0.0000 51914.7074 -109325.3235 298.3545 -161240.0309 -108967.2048 298.4809 127.9627 150.4045 762681.1411 -12.4802 -12.5906 PRESSURE: 2080200 224.639 -17.232 -101.375 -17.2327 424.183 205.288 -101.375 205.288 223.436 GPRESSURE: 2080200 229.39 26.3006 -190.757 15.8034 523.96 180.473 -35.7333 236.633 218.348 PRESSAVG: 2080200 20.7922 47.4826 67.5894 47.4826 -27.0726 -5.42167 67.5894 -5.4217 9.67735 GPRESSAVG: 2080200 22.2213 46.1158 67.7621 50.0957 -27.6079 -5.70464 70.0536 -6.05711 8.5976 TIMING: 2080200 CPU: 6575.21, 0.00314341/step Wall: 6575.21, 0.00314341/step, 2.54948 hours remaining, 234.882812 MB of memory in use. ENERGY: 2080200 3973.4419 20455.4509 14490.6758 243.6597 -203663.7988 3131.1379 0.0000 0.0000 52059.5991 -109309.8335 299.1872 -161369.4326 -108949.3015 298.9897 290.7526 323.8989 762381.1241 1.1323 1.0703 LDB: ============= START OF LOAD BALANCING ============== 6587.74 LDB: ============== END OF LOAD BALANCING =============== 6587.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6587.75 LDB: ============= START OF LOAD BALANCING ============== 6588.06 LDB: Largest compute 7057 load 0.029920 is 15.3% of average load 0.195443 LDB: Average compute 0.004393 is 2.2% of average load 0.195443 LDB: TIME 6588.06 LOAD: AVG 0.195443 MAX 0.213411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 6588.06 LOAD: AVG 0.195443 MAX 0.213411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 6588.06 LOAD: AVG 0.195443 MAX 0.213411 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 6588.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6588.07 PRESSURE: 2080400 -196.948 -156.483 130.75 -156.483 -240.873 106.753 130.75 106.752 -324.409 GPRESSURE: 2080400 -195.921 -165.216 110.772 -164.886 -228.198 202.38 128.06 -42.496 -255.619 PRESSAVG: 2080400 41.3047 -12.5765 2.16656 -12.5765 -9.96651 15.3325 2.16657 15.3324 4.71527 GPRESSAVG: 2080400 40.9896 -12.8194 1.05335 -12.2963 -10.7059 13.8331 3.17005 18.9945 6.17579 TIMING: 2080400 CPU: 6575.85, 0.00320829/step Wall: 6575.85, 0.00320828/step, 2.60192 hours remaining, 234.371094 MB of memory in use. ENERGY: 2080400 3997.0662 20587.0891 14462.5917 251.5459 -203133.7081 2615.3817 0.0000 0.0000 51908.3667 -109311.6669 298.3181 -161220.0336 -108963.5877 298.9834 -254.0768 -226.5792 762618.1831 12.0178 12.1532 PRESSURE: 2080600 218.684 -37.5609 122.906 -37.5604 126.727 -64.1813 122.905 -64.1809 -107.96 GPRESSURE: 2080600 243.835 48.2758 183.75 -122.069 218.09 -91.1637 165.604 -52.4485 -127.89 PRESSAVG: 2080600 41.942 11.2622 16.6109 11.2622 -4.82284 43.5485 16.611 43.5485 -17.1374 GPRESSAVG: 2080600 41.9021 12.4669 17.8722 8.66253 -4.10606 42.656 14.7406 40.9609 -17.6501 TIMING: 2080600 CPU: 6576.49, 0.00319543/step Wall: 6576.49, 0.00319543/step, 2.59132 hours remaining, 234.460938 MB of memory in use. ENERGY: 2080600 4004.2060 20549.4603 14472.1887 281.9503 -203408.3043 2683.8712 0.0000 0.0000 52167.5675 -109249.0604 299.8077 -161416.6279 -108889.8376 299.4646 79.1504 111.3449 760176.9066 6.6606 6.7153 PRESSURE: 2080800 182.554 -14.2878 -73.0652 -14.2887 299.05 218.291 -73.0657 218.29 100.745 GPRESSURE: 2080800 168.182 13.0769 -25.2109 128.206 371.684 158.772 -116.81 176.062 111.037 PRESSAVG: 2080800 -14.2969 28.3846 13.2362 28.3847 22.1621 5.64127 13.2362 5.6413 -20.4271 GPRESSAVG: 2080800 -14.3183 26.6955 14.8463 29.8732 22.7437 5.80661 14.2055 5.50237 -21.3133 TIMING: 2080800 CPU: 6577.12, 0.00315099/step Wall: 6577.12, 0.00315099/step, 2.55511 hours remaining, 234.460938 MB of memory in use. ENERGY: 2080800 4030.2137 20555.9448 14412.8204 241.1812 -203248.9268 2660.1326 0.0000 0.0000 52008.7855 -109339.8486 298.8952 -161348.6341 -108975.9734 299.3646 194.1162 216.9675 760218.5690 -4.1873 -4.2960 PRESSURE: 2081000 35.4921 -154.318 4.88382 -154.318 182.792 -39.2484 4.88334 -39.2485 -122.944 GPRESSURE: 2081000 18.0102 -225.533 -76.8455 -132.098 278.643 -10.6851 54.979 -68.6358 -127.929 PRESSAVG: 2081000 -22.784 4.96743 28.3204 4.9674 -19.6139 7.18648 28.3204 7.1864 -12.8999 GPRESSAVG: 2081000 -22.3903 4.19709 25.3354 4.53965 -20.2767 7.28441 27.4249 8.30387 -12.2253 TIMING: 2081000 CPU: 6577.75, 0.00315481/step Wall: 6577.75, 0.00315482/step, 2.55803 hours remaining, 234.460938 MB of memory in use. ENERGY: 2081000 3984.3964 20487.8590 14394.8890 224.2575 -203061.2469 2445.5982 0.0000 0.0000 52064.2739 -109459.9730 299.2141 -161524.2469 -109089.3844 299.1992 31.7803 56.2415 761052.1098 -18.4326 -18.2974 PRESSURE: 2081200 56.4106 -30.697 88.9912 -30.6975 63.597 -63.7686 88.9903 -63.7687 -16.4718 GPRESSURE: 2081200 52.7198 59.2164 6.49992 -16.5008 137.22 -71.1142 76.0208 -14.2307 7.1213 PRESSAVG: 2081200 50.0962 -9.41284 -69.655 -9.41283 0.025642 3.14906 -69.655 3.14909 -6.01939 GPRESSAVG: 2081200 49.7224 -9.32803 -69.3192 -8.83368 0.647988 4.5701 -70.6533 3.25497 -6.32704 TIMING: 2081200 CPU: 6578.38, 0.00315091/step Wall: 6578.38, 0.00315091/step, 2.55469 hours remaining, 234.460938 MB of memory in use. ENERGY: 2081200 4011.8636 20520.9790 14495.9552 263.8406 -203087.4053 2676.0245 0.0000 0.0000 51709.2280 -109409.5145 297.1736 -161118.7425 -109038.3836 298.7654 34.5119 65.6869 760213.4164 14.7008 14.6811 PRESSURE: 2081400 110.051 211.522 272.169 211.522 215.789 -211.522 272.17 -211.521 293.614 GPRESSURE: 2081400 103.498 221.602 295.283 242.694 215.763 -169.99 103.045 -283.283 399.691 PRESSAVG: 2081400 -6.4065 28.3806 -21.3831 28.3807 24.4549 -13.9325 -21.3831 -13.9325 3.68251 GPRESSAVG: 2081400 -6.79755 27.7222 -20.5351 28.43 24.8166 -13.3169 -20.0299 -14.3624 4.28563 TIMING: 2081400 CPU: 6579.01, 0.00315278/step Wall: 6579.01, 0.00315278/step, 2.55603 hours remaining, 234.460938 MB of memory in use. ENERGY: 2081400 3902.3871 20453.9512 14474.7856 240.3906 -203139.6538 2748.1241 0.0000 0.0000 51934.5379 -109385.4772 298.4685 -161320.0151 -109021.0577 298.8618 206.4845 239.6504 761268.2026 7.2437 7.4349 PRESSURE: 2081600 37.1041 -77.421 -93.6069 -77.4212 -497.301 -259.321 -93.6067 -259.321 20.6595 GPRESSURE: 2081600 9.22059 -117.925 -81.0431 24.6593 -433.57 -373.29 -34.4533 -358.447 74.8563 PRESSAVG: 2081600 24.8291 62.7257 -8.30757 62.7256 6.35444 -3.59815 -8.30751 -3.59808 -12.5573 GPRESSAVG: 2081600 24.2731 65.2444 -8.80436 60.6263 6.62667 -4.08132 -7.49636 -4.80891 -11.8776 TIMING: 2081600 CPU: 6579.64, 0.0031419/step Wall: 6579.64, 0.0031419/step, 2.54704 hours remaining, 234.460938 MB of memory in use. ENERGY: 2081600 3979.6780 20551.1902 14430.3815 254.6729 -202948.0376 2416.9568 0.0000 0.0000 51907.4204 -109407.7377 298.3127 -161315.1582 -109047.6274 298.4715 -146.5123 -116.4978 764377.3278 6.2087 6.3407 PRESSURE: 2081800 28.6408 29.624 -74.7569 29.6236 -65.2505 58.4408 -74.7568 58.4399 -300.988 GPRESSURE: 2081800 44.0957 44.8119 -101.292 -1.04285 -87.8299 69.5046 -105.203 127.369 -215.518 PRESSAVG: 2081800 19.421 18.6914 20.2802 18.6914 -24.648 45.0347 20.2801 45.0347 10.992 GPRESSAVG: 2081800 19.8161 19.7757 21.499 20.2522 -25.625 44.8823 17.8477 45.4839 11.7968 TIMING: 2081800 CPU: 6580.27, 0.00313284/step Wall: 6580.27, 0.00313284/step, 2.53952 hours remaining, 234.460938 MB of memory in use. ENERGY: 2081800 3953.7531 20390.1171 14520.0385 252.1547 -203635.1476 2822.8930 0.0000 0.0000 52127.2772 -109568.9142 299.5762 -161696.1913 -109198.2866 298.8631 -112.5326 -86.4174 761514.7309 1.9217 1.9959 PRESSURE: 2082000 20.7288 -7.35303 -95.0368 -7.35309 324.5 -315.221 -95.0377 -315.22 -52.7937 GPRESSURE: 2082000 139.519 87.7378 -162.526 27.8977 339.293 -223.852 -61.5134 -318.361 -97.069 PRESSAVG: 2082000 60.5753 19.8889 22.4322 19.8888 -67.3464 2.53193 22.4322 2.53201 5.32577 GPRESSAVG: 2082000 61.5367 18.3255 21.2476 21.0292 -66.4288 1.7683 23.7807 4.84074 3.5681 TIMING: 2082000 CPU: 6580.9, 0.00315074/step Wall: 6580.9, 0.00315074/step, 2.55385 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: 2082000 3892.9226 20377.5647 14460.5059 246.0679 -203556.8035 2764.2258 0.0000 0.0000 52060.3648 -109755.1518 299.1916 -161815.5166 -109391.2316 298.9828 97.4785 127.2475 759860.5386 -0.4818 -0.4413 PRESSURE: 2082200 251.823 64.3382 145.662 64.3379 7.07605 87.6009 145.662 87.6026 -84.259 GPRESSURE: 2082200 336.23 38.4314 153.872 103.738 49.1389 132.45 164.11 -8.12514 -142.018 PRESSAVG: 2082200 -22.1036 27.8454 3.60994 27.8454 18.8891 2.07485 3.60995 2.07484 -13.7163 GPRESSAVG: 2082200 -21.6865 27.6172 4.71465 27.8299 17.6519 3.80178 1.68099 -0.721541 -13.3037 TIMING: 2082200 CPU: 6581.53, 0.00315856/step Wall: 6581.53, 0.00315856/step, 2.56001 hours remaining, 234.460938 MB of memory in use. ENERGY: 2082200 4011.8437 20493.3405 14391.0997 251.2001 -203082.2421 2500.3355 0.0000 0.0000 51813.3011 -109621.1216 297.7718 -161434.4226 -109268.8314 298.2752 58.2134 81.1172 760489.1953 -5.6436 -5.7794 PRESSURE: 2082400 -453.73 134.91 -41.4937 134.909 -519.63 6.51892 -41.4926 6.51856 -546.992 GPRESSURE: 2082400 -505.997 241.387 -33.7406 97.5077 -428.776 28.8228 66.7213 94.7619 -507.588 PRESSAVG: 2082400 29.3944 31.4121 4.79269 31.4121 -13.3522 90.2243 4.79272 90.2243 11.2935 GPRESSAVG: 2082400 27.1486 31.5478 6.73936 29.4137 -12.2614 88.3496 5.84152 93.2887 11.6214 TIMING: 2082400 CPU: 6582.16, 0.00314466/step Wall: 6582.16, 0.00314466/step, 2.54857 hours remaining, 234.460938 MB of memory in use. ENERGY: 2082400 3962.6981 20422.5502 14429.9639 253.8836 -203207.8217 2685.0671 0.0000 0.0000 52017.7967 -109435.8622 298.9470 -161453.6589 -109060.7270 298.9804 -506.7838 -480.7869 762283.2502 9.1119 8.8362 PRESSURE: 2082600 8.64139 -78.4423 32.6793 -78.4425 -197.085 -101.623 32.6785 -101.623 -177.633 GPRESSURE: 2082600 109.518 30.7519 46.6588 -57.4481 -250.82 -84.3712 -26.7777 -240.749 -139.481 PRESSAVG: 2082600 21.7538 52.7276 16.9816 52.7276 1.89122 43.5781 16.9816 43.5781 6.59279 GPRESSAVG: 2082600 22.6992 52.3818 15.922 54.3386 1.7604 43.8261 18.7789 43.5168 6.31565 TIMING: 2082600 CPU: 6582.79, 0.00314237/step Wall: 6582.79, 0.00314237/step, 2.54654 hours remaining, 234.460938 MB of memory in use. ENERGY: 2082600 3941.7072 20364.8695 14410.2594 244.7901 -203289.8189 2654.2531 0.0000 0.0000 51989.8795 -109684.0602 298.7866 -161673.9397 -109324.0840 298.2738 -122.0257 -93.5944 760678.7626 10.0793 10.2584 PRESSURE: 2082800 -237.034 -73.1124 -88.1335 -73.1115 343.53 17.6275 -88.1334 17.6271 398.733 GPRESSURE: 2082800 -174.377 -125.264 -107.237 -34.7907 335.96 91.3231 -187.845 17.6879 418.971 PRESSAVG: 2082800 10.1354 -3.82985 -12.626 -3.82985 8.29948 19.5425 -12.6259 19.5424 24.8609 GPRESSAVG: 2082800 10.5696 -3.12989 -14.2303 -6.1359 8.42671 19.2562 -13.7972 18.1132 24.636 TIMING: 2082800 CPU: 6583.42, 0.00315801/step Wall: 6583.42, 0.00315801/step, 2.55904 hours remaining, 234.460938 MB of memory in use. ENERGY: 2082800 4039.8143 20312.8469 14435.6352 247.2474 -203335.4108 2884.5920 0.0000 0.0000 51830.1809 -109585.0940 297.8688 -161415.2749 -109218.9634 298.5787 168.4097 193.5179 762160.9926 14.4319 14.5441 PRESSURE: 2083000 -21.5476 269.689 195.988 269.69 95.2304 57.3154 195.989 57.3149 143.746 GPRESSURE: 2083000 68.4656 320.623 163.778 253.581 105.142 74.7539 193.163 73.1801 118.512 PRESSAVG: 2083000 23.5409 -13.7113 -20.7248 -13.7112 -35.821 56.922 -20.7247 56.9219 8.04125 GPRESSAVG: 2083000 23.0391 -13.9312 -19.3762 -12.3968 -36.6614 55.5453 -18.7687 58.7705 8.79861 TIMING: 2083000 CPU: 6584.05, 0.00314673/step Wall: 6584.05, 0.00314673/step, 2.54973 hours remaining, 234.460938 MB of memory in use. ENERGY: 2083000 3954.6743 20527.5912 14471.8315 259.9633 -203416.7119 2692.2855 0.0000 0.0000 51900.0938 -109610.2721 298.2706 -161510.3659 -109252.1721 298.5208 72.4761 97.3731 761679.9155 -1.4129 -1.6079 PRESSURE: 2083200 22.7967 67.8789 -17.0367 67.8794 -245.416 -14.5528 -17.0376 -14.5519 -42.3034 GPRESSURE: 2083200 -5.00098 158.925 -74.9565 49.4569 -204.385 13.9633 80.8213 86.0376 27.6931 PRESSAVG: 2083200 6.54599 -6.80341 19.9007 -6.80343 10.4137 21.5449 19.9007 21.5449 2.04402 GPRESSAVG: 2083200 6.31613 -4.44581 21.088 -7.56778 10.7086 21.8459 16.4702 21.5811 1.99894 TIMING: 2083200 CPU: 6584.68, 0.00315156/step Wall: 6584.68, 0.00315156/step, 2.55346 hours remaining, 234.460938 MB of memory in use. ENERGY: 2083200 3978.0362 20444.4635 14452.9506 257.2054 -203164.1977 2622.6838 0.0000 0.0000 51745.5234 -109663.3348 297.3822 -161408.8582 -109313.2677 298.1275 -88.3074 -60.5642 761701.3023 6.3346 6.3412 PRESSURE: 2083400 177.339 33.6979 -149.219 33.6979 -132.844 -144.091 -149.219 -144.091 -352.453 GPRESSURE: 2083400 213.701 47.6552 -181.642 43.0976 -142.29 -96.8886 -168.856 -68.0199 -282.942 PRESSAVG: 2083400 52.879 37.0169 -37.4777 37.0169 -46.3427 6.29693 -37.4777 6.29695 -9.53555 GPRESSAVG: 2083400 52.7666 35.3839 -40.2092 36.6289 -46.5532 7.23107 -35.3996 5.02673 -9.12028 TIMING: 2083400 CPU: 6585.31, 0.00316179/step Wall: 6585.31, 0.00316179/step, 2.56158 hours remaining, 234.460938 MB of memory in use. ENERGY: 2083400 3990.2152 20475.8005 14450.5549 245.2850 -202962.1995 2595.1127 0.0000 0.0000 51865.6287 -109339.6026 298.0725 -161205.2313 -108978.9068 298.4409 -102.6526 -70.5105 761321.5204 -0.9997 -0.9690 PRESSURE: 2083600 128.37 -129.594 88.545 -129.594 112.076 -117.578 88.5452 -117.577 223.247 GPRESSURE: 2083600 102.703 -35.3235 47.9214 -82.3786 173.472 -235.221 111.337 -156.405 276.934 PRESSAVG: 2083600 3.04984 1.7509 2.17051 1.75086 3.9404 3.35632 2.17054 3.35628 -2.1498 GPRESSAVG: 2083600 3.47488 0.882573 3.25738 3.69983 4.49542 2.13209 1.2164 4.85429 -2.86013 TIMING: 2083600 CPU: 6585.95, 0.00316422/step Wall: 6585.95, 0.00316422/step, 2.56337 hours remaining, 234.460938 MB of memory in use. ENERGY: 2083600 3920.9831 20576.1841 14411.0710 258.7519 -203240.4508 2586.7636 0.0000 0.0000 52261.7830 -109224.9142 300.3492 -161486.6971 -108861.2543 299.0791 154.5642 184.3696 760318.3767 1.6135 1.7034 PRESSURE: 2083800 141.062 0.585162 87.4874 0.585195 249.605 79.3908 87.4874 79.3913 214.822 GPRESSURE: 2083800 123.224 -168.689 111.713 13.0617 273.541 59.444 216.082 92.2313 290.713 PRESSAVG: 2083800 -35.8553 42.3314 -41.8858 42.3314 11.1004 -38.4572 -41.8858 -38.4572 17.5683 GPRESSAVG: 2083800 -36.5923 44.4582 -41.867 42.0147 12.0133 -37.5486 -41.9504 -39.1848 17.3235 TIMING: 2083800 CPU: 6586.58, 0.00315004/step Wall: 6586.58, 0.00315004/step, 2.55171 hours remaining, 234.460938 MB of memory in use. ENERGY: 2083800 4110.0960 20512.4090 14431.5600 260.6918 -203472.0780 3046.0732 0.0000 0.0000 51873.8204 -109237.4277 298.1196 -161111.2480 -108871.9483 299.2215 201.8296 229.1592 761994.7659 -2.3955 -2.4185 PRESSURE: 2084000 142.591 257.482 -88.7478 257.482 273.233 -205.496 -88.7474 -205.497 348.467 GPRESSURE: 2084000 176.999 204.811 -104.585 327.281 333.561 -252.167 2.42602 -106.836 350.001 PRESSAVG: 2084000 -13.0806 60.5973 14.9635 60.5973 12.7014 8.0602 14.9635 8.06016 -7.01115 GPRESSAVG: 2084000 -12.3481 59.4788 16.7131 59.374 12.8755 7.49041 13.3067 7.92041 -7.99191 TIMING: 2084000 CPU: 6587.2, 0.00314636/step Wall: 6587.2, 0.00314636/step, 2.54855 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: 2084000 3979.6334 20412.3428 14403.9057 250.0919 -203267.1447 2805.9993 0.0000 0.0000 52058.5451 -109356.6265 299.1812 -161415.1716 -108999.9429 299.5816 254.7639 286.8533 760725.4364 -2.4635 -2.4882 PRESSURE: 2084200 -32.4883 74.4127 -254.474 74.4131 -158.453 -14.7787 -254.474 -14.7788 -147.229 GPRESSURE: 2084200 58.7731 -70.422 -237.616 104.398 -173.916 -1.53171 -317.536 -21.9336 -139.394 PRESSAVG: 2084200 -13.4432 22.5362 -0.781768 22.5362 18.2403 5.85223 -0.781763 5.85223 1.83226 GPRESSAVG: 2084200 -12.7736 19.8695 -2.17668 23.3774 16.1953 5.78367 2.29611 6.56007 3.3268 TIMING: 2084200 CPU: 6587.84, 0.00315332/step Wall: 6587.84, 0.00315332/step, 2.55402 hours remaining, 234.460938 MB of memory in use. ENERGY: 2084200 4039.0134 20404.4292 14369.5443 242.4601 -203029.5684 2642.1912 0.0000 0.0000 52050.2376 -109281.6926 299.1334 -161331.9302 -108929.2827 299.0853 -112.7233 -84.8457 760827.7922 2.2098 2.2495 LDB: ============= START OF LOAD BALANCING ============== 6600.37 LDB: ============== END OF LOAD BALANCING =============== 6600.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.37 LDB: ============= START OF LOAD BALANCING ============== 6600.69 LDB: Largest compute 7077 load 0.029587 is 15.1% of average load 0.195402 LDB: Average compute 0.004407 is 2.3% of average load 0.195402 LDB: TIME 6600.69 LOAD: AVG 0.195402 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.934 MB LDB: TIME 6600.69 LOAD: AVG 0.195402 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: TIME 6600.69 LOAD: AVG 0.195402 MAX 0.215749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.934 MB LDB: ============== END OF LOAD BALANCING =============== 6600.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6600.7 PRESSURE: 2084400 -291.49 -46.4462 87.6338 -46.4461 109.478 -17.9723 87.633 -17.9729 82.5761 GPRESSURE: 2084400 -227.008 -116.616 32.7485 -38.4641 57.3743 -13.4733 45.6306 93.5167 150.788 PRESSAVG: 2084400 -23.1699 51.5991 -16.6316 51.599 59.7711 10.0005 -16.6316 10.0005 -3.34356 GPRESSAVG: 2084400 -23.889 51.9124 -16.0786 51.9009 60.8262 9.80415 -17.8648 9.1313 -3.57602 TIMING: 2084400 CPU: 6588.48, 0.00322524/step Wall: 6588.48, 0.00322523/step, 2.61208 hours remaining, 235.507812 MB of memory in use. ENERGY: 2084400 3991.2700 20514.9124 14429.7531 226.5090 -202935.1541 2494.4993 0.0000 0.0000 52156.9856 -109121.2247 299.7469 -161278.2103 -108762.0218 299.2449 -33.1453 -6.2819 761850.4611 11.0859 11.1204 PRESSURE: 2084600 -341.633 -194.317 57.5325 -194.318 -203.501 48.0728 57.5332 48.072 -255.157 GPRESSURE: 2084600 -298.209 -189.546 17.6467 -180.285 -116.938 77.3504 164.723 -88.6493 -292.523 PRESSAVG: 2084600 58.3447 -40.2298 -37.2493 -40.2298 -74.5505 3.99092 -37.2493 3.99096 11.7783 GPRESSAVG: 2084600 58.4864 -38.002 -37.9995 -41.5986 -73.978 2.71002 -35.782 7.36643 11.8241 TIMING: 2084600 CPU: 6589.11, 0.00313665/step Wall: 6589.11, 0.00313666/step, 2.54017 hours remaining, 235.507812 MB of memory in use. ENERGY: 2084600 3942.0761 20515.0779 14480.4151 265.5872 -203130.4128 2482.2095 0.0000 0.0000 52091.8638 -109353.1833 299.3727 -161445.0471 -108987.1870 299.5479 -266.7635 -235.8902 762412.0902 -1.4758 -1.2225 PRESSURE: 2084800 110.559 -38.1568 -19.1123 -38.1566 10.2949 153.09 -19.112 153.092 47.3931 GPRESSURE: 2084800 167.836 6.16696 17.9518 6.33597 31.7409 194.945 -45.2551 211.587 63.693 PRESSAVG: 2084800 -27.4682 -18.8874 2.54132 -18.8874 -6.82457 44.9743 2.54131 44.9743 -23.4312 GPRESSAVG: 2084800 -27.3021 -21.0038 3.14155 -18.9009 -6.74532 48.4622 1.1519 40.6633 -23.9362 TIMING: 2084800 CPU: 6589.74, 0.00313968/step Wall: 6589.74, 0.00313968/step, 2.54244 hours remaining, 235.507812 MB of memory in use. ENERGY: 2084800 3919.2461 20518.3443 14425.9146 251.3902 -203395.7540 2771.6255 0.0000 0.0000 52052.7870 -109456.4463 299.1481 -161509.2333 -109092.5093 299.1345 56.0824 87.7568 762096.8480 -19.2413 -19.3279 PRESSURE: 2085000 130.989 163.803 89.5538 163.803 -399.462 26.7684 89.5538 26.7685 634.619 GPRESSURE: 2085000 87.6994 175.827 95.4909 107.607 -254.208 34.0912 97.0348 35.0012 608.569 PRESSAVG: 2085000 42.7903 -4.8471 -42.2008 -4.84708 -30.2001 46.0719 -42.2009 46.0718 1.84787 GPRESSAVG: 2085000 41.1858 -2.653 -40.5753 -2.76073 -29.3284 45.9424 -42.1401 46.8527 2.31129 TIMING: 2085000 CPU: 6590.37, 0.00314812/step Wall: 6590.37, 0.00314812/step, 2.54911 hours remaining, 235.507812 MB of memory in use. ENERGY: 2085000 4019.4454 20488.1591 14403.3920 258.6136 -203198.2579 2734.6706 0.0000 0.0000 51877.1298 -109416.8472 298.1386 -161293.9770 -109058.2866 298.9986 122.0485 147.3534 761977.5176 4.8127 4.7229 PRESSURE: 2085200 197.631 144.368 11.6048 144.368 385.473 -259.284 11.6033 -259.284 -49.0904 GPRESSURE: 2085200 175.456 82.2843 84.9782 187.375 429.596 -216.932 85.8047 -280.417 5.89768 PRESSAVG: 2085200 18.0524 57.6248 27.6327 57.6247 4.58518 -5.80048 27.6327 -5.80041 19.1321 GPRESSAVG: 2085200 18.6815 55.9672 27.314 56.3501 3.39866 -7.56283 29.0889 -3.33855 19.2112 TIMING: 2085200 CPU: 6591, 0.00316327/step Wall: 6591, 0.00316327/step, 2.56119 hours remaining, 235.507812 MB of memory in use. ENERGY: 2085200 3990.5186 20363.9321 14365.2714 256.5425 -202747.3095 2438.1070 0.0000 0.0000 52048.3270 -109284.6109 299.1225 -161332.9379 -108923.0212 298.9703 178.0046 203.6499 762625.1346 13.9232 13.7638 PRESSURE: 2085400 115.048 -91.3 -115.205 -91.3009 -264.079 321.85 -115.205 321.849 34.8488 GPRESSURE: 2085400 226.535 -26.7211 -71.9966 -85.295 -188.531 309.208 -173.501 300.852 -57.4365 PRESSAVG: 2085400 36.1186 -4.12432 -32.5826 -4.12436 0.782246 0.293447 -32.5827 0.29346 -3.90389 GPRESSAVG: 2085400 35.8134 -3.8502 -32.7703 -3.08667 1.79845 2.07996 -35.0174 -1.13448 -4.5185 TIMING: 2085400 CPU: 6591.63, 0.00316695/step Wall: 6591.63, 0.00316695/step, 2.56399 hours remaining, 235.507812 MB of memory in use. ENERGY: 2085400 3986.0155 20223.1159 14411.7727 260.1629 -202742.3756 2430.0789 0.0000 0.0000 52152.3683 -109278.8612 299.7204 -161431.2295 -108917.0996 299.2460 -38.0604 -6.4774 762012.9629 10.9990 11.0311 PRESSURE: 2085600 -176.8 25.2334 121.329 25.2329 -244.67 115.794 121.328 115.793 -373.625 GPRESSURE: 2085600 -151.978 -65.952 142.494 21.4359 -142.428 25.9956 46.2373 221.742 -441.378 PRESSAVG: 2085600 2.23 47.4926 4.6535 47.4927 -37.4885 26.9809 4.65344 26.9809 15.6263 GPRESSAVG: 2085600 2.6968 48.7294 2.49404 46.9129 -37.1515 25.5131 5.92462 26.8742 15.2375 TIMING: 2085600 CPU: 6592.27, 0.00317311/step Wall: 6592.27, 0.00317311/step, 2.56881 hours remaining, 235.507812 MB of memory in use. ENERGY: 2085600 4003.3830 20444.6317 14376.8223 242.6919 -202790.5569 2277.8992 0.0000 0.0000 51921.4839 -109523.6449 298.3935 -161445.1288 -109164.9208 299.0960 -265.0319 -245.2611 762915.8017 -6.5441 -6.4058 PRESSURE: 2085800 232.511 -236.451 22.3872 -236.451 -84.4971 108.606 22.3864 108.607 96.9979 GPRESSURE: 2085800 260.085 -276.861 69.9318 -237.26 -104.79 164.013 -78.2674 90.5155 169.785 PRESSAVG: 2085800 -0.393785 2.55207 -3.66694 2.55202 17.3712 19.4979 -3.66694 19.498 -6.09198 GPRESSAVG: 2085800 -0.107098 2.0341 -1.67574 1.07148 15.7101 21.1129 -5.29858 18.5332 -4.74326 TIMING: 2085800 CPU: 6592.9, 0.00316878/step Wall: 6592.9, 0.00316878/step, 2.56513 hours remaining, 235.507812 MB of memory in use. ENERGY: 2085800 4015.9625 20352.9143 14410.6340 247.3664 -203387.6946 2751.9608 0.0000 0.0000 52067.0969 -109541.7598 299.2303 -161608.8567 -109181.9967 298.8295 81.6707 108.3603 761067.4112 3.6285 3.6199 PRESSURE: 2086000 -120.23 -139.953 -153.913 -139.954 -25.2691 40.1977 -153.914 40.1988 -482.448 GPRESSURE: 2086000 -45.3054 -94.585 -95.9575 -58.9867 -12.4387 8.91579 -157.734 107.147 -515.052 PRESSAVG: 2086000 24.6669 -13.8613 11.416 -13.8613 -34.4445 50.984 11.416 50.984 -7.67816 GPRESSAVG: 2086000 24.6163 -12.2748 11.2096 -13.1763 -34.8615 50.8509 12.5583 51.4757 -6.8979 TIMING: 2086000 CPU: 6593.53, 0.00315031/step Wall: 6593.53, 0.00315031/step, 2.55 hours remaining, 235.507812 MB of memory 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 3999.1608 20446.4609 14437.2671 233.3214 -202678.9087 2230.3096 0.0000 0.0000 51822.7982 -109509.5907 297.8263 -161332.3890 -109155.7253 298.8484 -209.3158 -190.9319 760838.3421 -5.8186 -5.7144 PRESSURE: 2086200 -115.189 -214.905 -45.8271 -214.906 -20.2398 39.3441 -45.8269 39.343 11.4681 GPRESSURE: 2086200 -87.517 -282.555 30.9743 -253.568 72.4746 48.9111 -64.9221 38.5172 -20.5326 PRESSAVG: 2086200 -10.5174 24.3021 -5.66632 24.3022 -4.58551 81.5905 -5.66632 81.5905 -27.281 GPRESSAVG: 2086200 -9.9236 22.8401 -6.63686 23.8266 -4.09289 81.3055 -4.04802 81.617 -28.1021 TIMING: 2086200 CPU: 6594.16, 0.00313982/step Wall: 6594.16, 0.00313982/step, 2.54134 hours remaining, 235.507812 MB of memory in use. ENERGY: 2086200 3922.2307 20406.2940 14464.9328 236.0527 -202526.0269 2208.0367 0.0000 0.0000 51789.8620 -109498.6180 297.6370 -161288.4800 -109128.3026 298.5583 -41.3203 -11.8584 762235.9678 -14.1280 -14.0395 PRESSURE: 2086400 -79.0055 -102.08 19.2851 -102.079 112.322 -81.0792 19.2851 -81.0782 194.677 GPRESSURE: 2086400 42.687 -68.8514 37.4544 -166.979 34.888 -123.864 69.5296 12.6913 238.897 PRESSAVG: 2086400 22.7833 4.29721 3.17072 4.29717 -21.6685 21.8555 3.17075 21.8555 8.12442 GPRESSAVG: 2086400 22.3625 5.50527 3.58072 4.20526 -22.1461 21.1827 0.463239 23.4292 9.11792 TIMING: 2086400 CPU: 6594.78, 0.00313054/step Wall: 6594.78, 0.00313054/step, 2.53365 hours remaining, 235.507812 MB of memory in use. ENERGY: 2086400 3986.9148 20498.4685 14541.5469 258.7172 -203478.1626 2747.8176 0.0000 0.0000 51970.1829 -109474.5148 298.6734 -161444.6977 -109114.4603 299.0134 75.9978 105.4907 759770.7053 3.0797 3.1114 PRESSURE: 2086600 -620.3 210.94 -131.814 210.94 5.08978 332.851 -131.813 332.853 -404.531 GPRESSURE: 2086600 -511.375 143.221 -43.1919 121.603 -54.5544 357.411 -135.9 284.217 -381.664 PRESSAVG: 2086600 -10.7085 12.4113 4.05666 12.4112 0.364747 22.2603 4.05669 22.2603 30.955 GPRESSAVG: 2086600 -11.0004 12.1884 2.57197 13.2067 0.48512 23.3044 6.57209 22.0479 30.9674 TIMING: 2086600 CPU: 6595.41, 0.00315138/step Wall: 6595.41, 0.00315138/step, 2.55034 hours remaining, 235.765625 MB of memory in use. ENERGY: 2086600 3987.3341 20444.5786 14453.6186 249.1257 -203304.9368 2549.8676 0.0000 0.0000 52103.1046 -109517.3074 299.4373 -161620.4120 -109147.7717 299.1678 -339.9140 -315.8643 761763.1666 6.8704 6.8174 PRESSURE: 2086800 -430.89 -12.0834 57.8217 -12.0832 -292.535 70.6375 57.8216 70.6376 -346.017 GPRESSURE: 2086800 -467.694 14.142 82.9282 8.6696 -225.877 118.601 160.142 52.3855 -294.495 PRESSAVG: 2086800 58.8777 -39.1349 -17.1405 -39.1349 -40.0632 -2.70477 -17.1405 -2.70486 1.24024 GPRESSAVG: 2086800 58.6409 -39.7644 -15.6323 -39.1286 -40.0617 -2.11715 -17.9384 -3.50732 1.37853 TIMING: 2086800 CPU: 6596.04, 0.00314682/step Wall: 6596.04, 0.00314682/step, 2.54648 hours remaining, 235.765625 MB of memory in use. ENERGY: 2086800 4013.5220 20471.0910 14429.1990 235.8190 -202972.6240 2464.6317 0.0000 0.0000 51826.4470 -109531.9143 297.8473 -161358.3613 -109169.9231 298.9170 -356.4804 -329.3554 764376.2577 6.6849 6.6526 PRESSURE: 2087000 -132.596 11.9425 -154.512 11.9431 -81.2656 -56.0461 -154.511 -56.0474 112.345 GPRESSURE: 2087000 -120.059 -64.0666 -90.7035 -54.9222 -26.7593 -57.1014 -244.882 -91.6659 116.275 PRESSAVG: 2087000 27.9844 12.5485 23.4184 12.5485 -16.7442 29.9522 23.4184 29.9522 6.12962 GPRESSAVG: 2087000 27.4603 10.3921 22.6248 12.2831 -15.9305 29.2485 25.6093 28.3923 6.01941 TIMING: 2087000 CPU: 6596.68, 0.00316737/step Wall: 6596.68, 0.00316737/step, 2.56293 hours remaining, 235.765625 MB of memory in use. ENERGY: 2087000 4064.7693 20537.6735 14442.2559 243.2257 -203506.8343 2813.3967 0.0000 0.0000 51853.0688 -109552.4445 298.0003 -161405.5133 -109197.1221 298.4275 -33.8387 -10.1812 763244.2418 5.7899 5.8497 PRESSURE: 2087200 337.475 -31.9519 77.7638 -31.9519 -489.347 -52.8902 77.7634 -52.8904 -216.618 GPRESSURE: 2087200 311.327 79.5851 79.1076 80.6843 -345.1 -38.8185 -33.5733 -10.601 -246.749 PRESSAVG: 2087200 7.97928 24.9414 10.189 24.9414 -24.8866 -6.54408 10.1889 -6.54409 -11.1026 GPRESSAVG: 2087200 8.01896 25.6898 10.781 26.2838 -24.8374 -7.47129 6.80441 -3.83368 -11.8251 TIMING: 2087200 CPU: 6597.31, 0.00314713/step Wall: 6597.31, 0.00314713/step, 2.54638 hours remaining, 235.765625 MB of memory in use. ENERGY: 2087200 4074.9831 20447.5681 14385.6478 257.0388 -203661.1922 2839.9408 0.0000 0.0000 52146.3415 -109509.6721 299.6857 -161656.0136 -109149.2879 298.7956 -122.8301 -93.5072 762111.2288 -9.3367 -9.5478 PRESSURE: 2087400 -47.801 6.34916 40.0996 6.34937 -14.9932 -99.0013 40.0993 -99.0007 -81.2449 GPRESSURE: 2087400 5.76872 -1.69958 77.3456 -39.78 -4.22029 -141.01 21.2243 -137.05 -55.6171 PRESSAVG: 2087400 54.3669 16.407 0.0181202 16.4071 -31.8738 9.36005 0.0181108 9.35999 -9.10509 GPRESSAVG: 2087400 55.5371 19.6837 -0.390917 14.2725 -33.0638 11.1574 1.76635 6.2785 -9.23544 TIMING: 2087400 CPU: 6597.94, 0.00315056/step Wall: 6597.94, 0.00315056/step, 2.54898 hours remaining, 235.765625 MB of memory in use. ENERGY: 2087400 3933.0908 20625.2235 14472.2019 258.0201 -203639.3573 2955.4693 0.0000 0.0000 52011.0199 -109384.3318 298.9080 -161395.3517 -109024.2759 299.1226 -48.0131 -18.0229 761831.1574 4.4627 4.4126 PRESSURE: 2087600 53.1884 0.085569 91.3246 0.0859981 -547.803 -44.1635 91.3247 -44.1635 230.908 GPRESSURE: 2087600 24.762 -48.4111 67.9587 2.23046 -470.588 -37.1096 188.687 36.1923 274.975 PRESSAVG: 2087600 -2.60026 24.5375 -23.9835 24.5375 -23.2496 -8.73961 -23.9834 -8.73964 -4.70155 GPRESSAVG: 2087600 -3.47 21.9477 -25.3292 26.634 -22.6205 -8.48481 -22.5127 -7.46248 -4.96122 TIMING: 2087600 CPU: 6598.57, 0.00314607/step Wall: 6598.57, 0.00314607/step, 2.54517 hours remaining, 235.765625 MB of memory in use. ENERGY: 2087600 3930.3168 20501.8854 14447.3872 246.8607 -203345.5810 2709.5879 0.0000 0.0000 51912.5714 -109596.9716 298.3423 -161509.5430 -109239.6636 298.8679 -87.9020 -56.9502 762717.1363 -10.1838 -10.3506 PRESSURE: 2087800 -251.796 231.671 104.527 231.67 -79.1149 181.33 104.526 181.33 -472.603 GPRESSURE: 2087800 -228.459 211.635 77.9899 42.0028 -34.9857 203.986 12.31 167.316 -452.499 PRESSAVG: 2087800 39.2434 -18.9751 -70.4925 -18.975 -22.8825 40.5668 -70.4924 40.5667 7.025 GPRESSAVG: 2087800 37.5843 -20.5506 -69.1833 -18.9301 -21.8042 38.8921 -74.0537 40.2162 7.87095 TIMING: 2087800 CPU: 6599.2, 0.00315586/step Wall: 6599.2, 0.00315586/step, 2.55292 hours remaining, 235.765625 MB of memory in use. ENERGY: 2087800 3994.4505 20511.1607 14460.8009 236.5105 -203347.4058 2601.0370 0.0000 0.0000 51820.8384 -109722.6079 297.8151 -161543.4462 -109359.9040 298.5931 -267.8380 -238.6481 762747.4817 7.7953 7.8837 PRESSURE: 2088000 -202.29 118.604 -112.444 118.604 -270.401 -72.339 -112.444 -72.339 -474.912 GPRESSURE: 2088000 -174.423 128.274 -148.716 172.155 -198.049 -92.5142 -128.754 -15.8248 -492.604 PRESSAVG: 2088000 -4.24251 -42.6371 -74.4442 -42.6372 3.23335 25.566 -74.4442 25.5661 -7.10669 GPRESSAVG: 2088000 -2.45597 -41.1138 -75.1748 -42.7506 1.74014 25.4989 -71.4004 27.1395 -6.98419 TIMING: 2088000 CPU: 6599.83, 0.00315945/step Wall: 6599.83, 0.00315945/step, 2.55564 hours remaining, 235.765625 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: 2088000 4010.7017 20544.0470 14418.1384 234.7689 -202932.2570 2452.5780 0.0000 0.0000 51672.3832 -109599.6397 296.9619 -161272.0229 -109242.7577 298.4942 -315.8674 -288.3587 761720.9618 -2.7053 -2.5667 PRESSURE: 2088200 -313.806 97.2917 38.3381 97.2914 -126.92 136.461 38.3379 136.461 112.532 GPRESSURE: 2088200 -308.742 59.7982 98.145 204.084 -78.7712 132.107 -40.394 144.589 136.563 PRESSAVG: 2088200 26.9211 -21.8989 47.0575 -21.8988 -24.0571 15.1428 47.0576 15.1427 -0.265707 GPRESSAVG: 2088200 25.9993 -21.6377 46.9139 -23.9636 -23.109 16.1213 47.0584 14.7402 -0.0708115 TIMING: 2088200 CPU: 6600.46, 0.00313587/step Wall: 6600.46, 0.00313587/step, 2.5364 hours remaining, 235.765625 MB of memory in use. ENERGY: 2088200 3980.9154 20498.1248 14515.8022 245.4347 -203387.3338 2533.6186 0.0000 0.0000 51837.7842 -109775.6540 297.9125 -161613.4381 -109419.7677 298.7658 -109.3978 -83.6501 761311.0569 0.8661 0.9398 LDB: ============= START OF LOAD BALANCING ============== 6612.99 LDB: ============== END OF LOAD BALANCING =============== 6612.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6612.99 LDB: ============= START OF LOAD BALANCING ============== 6613.31 LDB: Largest compute 7049 load 0.029486 is 15.1% of average load 0.195382 LDB: Average compute 0.004394 is 2.2% of average load 0.195382 LDB: TIME 6613.31 LOAD: AVG 0.195382 MAX 0.21423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.797 MB LDB: TIME 6613.31 LOAD: AVG 0.195382 MAX 0.21423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: TIME 6613.31 LOAD: AVG 0.195382 MAX 0.21423 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: ============== END OF LOAD BALANCING =============== 6613.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6613.32 PRESSURE: 2088400 9.85669 -36.9981 -281.582 -36.9977 204.594 -25.9048 -281.582 -25.9051 185.478 GPRESSURE: 2088400 18.1845 -75.6973 -271.358 44.6072 260.058 13.7199 -257.898 -105.484 215.759 PRESSAVG: 2088400 57.1267 -49.4174 -14.7469 -49.4173 3.58158 -15.6615 -14.7469 -15.6614 5.45568 GPRESSAVG: 2088400 57.5787 -50.0108 -13.7836 -49.4466 2.30582 -18.262 -16.3936 -16.0665 5.55395 TIMING: 2088400 CPU: 6601.1, 0.00322308/step Wall: 6601.1, 0.00322308/step, 2.60676 hours remaining, 234.671875 MB of memory in use. ENERGY: 2088400 4018.9008 20364.0444 14451.3187 247.9020 -203667.1408 2695.2399 0.0000 0.0000 52252.7429 -109636.9920 300.2972 -161889.7349 -109275.3431 299.2917 133.3096 164.6673 760651.9102 22.0547 21.8128 PRESSURE: 2088600 -270.713 -209.292 -232.17 -209.292 -24.2122 102.466 -232.17 102.465 -395.102 GPRESSURE: 2088600 -215.008 -112.926 -232.257 -170.466 -67.8916 24.7809 -163.364 162.403 -322.82 PRESSAVG: 2088600 -25.8598 -55.5432 -16.5146 -55.5432 35.2884 -2.88732 -16.5146 -2.88738 -12.7616 GPRESSAVG: 2088600 -26.7755 -54.5225 -17.3629 -54.554 35.5906 -0.0771412 -14.1797 -2.15006 -11.41 TIMING: 2088600 CPU: 6601.73, 0.00315217/step Wall: 6601.73, 0.00315217/step, 2.54923 hours remaining, 234.929688 MB of memory in use. ENERGY: 2088600 4030.1234 20423.9301 14423.8026 245.7077 -203300.3857 2686.4335 0.0000 0.0000 51782.3441 -109708.0443 297.5938 -161490.3884 -109353.0388 298.6882 -230.0092 -201.9065 760171.3900 -1.1110 -0.8649 PRESSURE: 2088800 137.15 274.938 95.2893 274.939 -174.618 -107.164 95.2893 -107.164 447.516 GPRESSURE: 2088800 182.727 191.606 155.837 214.323 -119.547 -96.0027 11.4161 -179.47 423.957 PRESSAVG: 2088800 18.584 11.4424 17.7346 11.4424 -28.8689 45.7308 17.7346 45.7307 -4.09948 GPRESSAVG: 2088800 19.6233 10.0541 19.6058 11.0756 -28.7823 46.0545 15.445 44.6779 -5.28188 TIMING: 2088800 CPU: 6602.36, 0.00315293/step Wall: 6602.36, 0.00315293/step, 2.54967 hours remaining, 235.191406 MB of memory in use. ENERGY: 2088800 3882.1828 20662.0608 14497.0120 262.1893 -203385.1296 2680.8015 0.0000 0.0000 51898.7430 -109502.1402 298.2628 -161400.8832 -109148.8945 298.6859 136.6829 162.3788 762167.0646 -4.7948 -4.8136 PRESSURE: 2089000 -127.096 2.6762 90.2715 2.67578 -39.2193 -93.0503 90.2707 -93.0507 95.3775 GPRESSURE: 2089000 -36.5529 -4.17825 170.255 -0.0554135 -43.094 -73.7315 97.8327 53.7418 72.4827 PRESSAVG: 2089000 -5.17402 17.9639 -37.3142 17.9639 -20.2423 7.05124 -37.3142 7.05122 5.73824 GPRESSAVG: 2089000 -7.64873 17.8766 -38.4999 19.3402 -18.9591 6.5393 -37.7069 8.62307 6.72449 TIMING: 2089000 CPU: 6602.99, 0.00314432/step Wall: 6602.99, 0.00314432/step, 2.54253 hours remaining, 235.191406 MB of memory in use. ENERGY: 2089000 4029.0067 20528.4238 14437.6304 265.6728 -203281.0520 2704.1059 0.0000 0.0000 52033.2491 -109282.9632 299.0358 -161316.2124 -108921.1618 299.2452 -23.6458 -2.3881 762310.4709 -6.5594 -6.6278 PRESSURE: 2089200 317.267 174.49 -7.13486 174.49 128.083 103.377 -7.13502 103.376 -206.913 GPRESSURE: 2089200 336.555 81.4737 -97.036 162.467 171.877 106.652 -15.1798 -27.0262 -199.767 PRESSAVG: 2089200 -16.9501 -1.72007 -51.1339 -1.72008 40.3554 17.7446 -51.1339 17.7445 4.50093 GPRESSAVG: 2089200 -15.431 -1.70365 -51.0512 -3.07013 39.5739 17.5434 -50.7133 16.6323 3.79745 TIMING: 2089200 CPU: 6603.62, 0.00312912/step Wall: 6603.62, 0.00312912/step, 2.53007 hours remaining, 235.191406 MB of memory in use. ENERGY: 2089200 3972.5735 20330.2670 14509.0432 237.9639 -202993.0296 2659.6147 0.0000 0.0000 51939.6933 -109343.8740 298.4981 -161283.5673 -108975.2127 298.8252 79.4789 102.8883 762862.9935 9.3021 9.3134 PRESSURE: 2089400 -589.671 -237.812 -102.832 -237.813 -236.095 43.8111 -102.832 43.8112 -136.403 GPRESSURE: 2089400 -493.255 -189.671 -66.7401 -190.038 -275.153 19.3698 -81.6536 -10.2182 -103.535 PRESSAVG: 2089400 -77.1103 -5.03116 -24.1256 -5.03113 51.0825 62.1595 -24.1255 62.1595 9.53121 GPRESSAVG: 2089400 -77.4562 -3.4434 -22.8144 -5.82026 51.6931 63.1599 -24.7386 63.423 9.17446 TIMING: 2089400 CPU: 6604.24, 0.00313427/step Wall: 6604.24, 0.00313427/step, 2.53406 hours remaining, 235.191406 MB of memory in use. ENERGY: 2089400 3910.4538 20531.6863 14420.4277 233.1575 -202829.0329 2351.3058 0.0000 0.0000 51758.9692 -109623.0326 297.4595 -161382.0017 -109260.9046 298.7343 -320.7229 -290.6478 762991.0566 -5.4988 -5.5295 PRESSURE: 2089600 339.604 50.1345 -239.036 50.1354 362.658 49.4083 -239.037 49.408 41.5008 GPRESSURE: 2089600 281.558 33.9086 -304.302 67.7713 467.191 56.516 -108.665 20.8749 84.2295 PRESSAVG: 2089600 -16.6852 0.248042 -2.78028 0.248033 1.34742 -19.548 -2.78027 -19.5479 -17.339 GPRESSAVG: 2089600 -17.0859 1.45111 -3.65377 1.19859 -0.0126238 -19.3748 -2.26716 -20.4543 -15.3979 TIMING: 2089600 CPU: 6604.88, 0.00316952/step Wall: 6604.88, 0.00316952/step, 2.56238 hours remaining, 235.191406 MB of memory in use. ENERGY: 2089600 3897.4406 20279.3781 14452.0509 252.2034 -203443.4167 2813.6486 0.0000 0.0000 51794.9147 -109953.7805 297.6661 -161748.6952 -109593.1947 297.8679 247.9208 277.6596 761011.9490 -10.8923 -10.8321 PRESSURE: 2089800 202.797 58.111 180.851 58.1103 -94.7752 281.063 180.851 281.063 -24.2261 GPRESSURE: 2089800 150.807 -60.4618 187.33 48.8711 20.1556 220.604 125.038 319.314 6.94224 PRESSAVG: 2089800 17.0496 26.8669 -25.9114 26.8669 6.07153 22.7748 -25.9114 22.7748 15.504 GPRESSAVG: 2089800 18.1712 26.0479 -28.0163 28.5748 7.85172 21.2776 -24.3742 23.2961 12.773 TIMING: 2089800 CPU: 6605.51, 0.0031493/step Wall: 6605.51, 0.0031493/step, 2.54586 hours remaining, 235.191406 MB of memory in use. ENERGY: 2089800 3880.6739 20411.4692 14388.0310 255.5031 -203114.3623 2390.8619 0.0000 0.0000 51850.7523 -109937.0711 297.9870 -161787.8233 -109572.5532 297.4182 27.9320 59.3015 760194.2162 12.8751 12.9320 PRESSURE: 2090000 84.1344 175.197 -55.068 175.196 47.975 -31.1501 -55.0676 -31.1509 84.6762 GPRESSURE: 2090000 141.059 98.7405 23.5048 32.4457 110.582 -51.9021 7.97703 25.1408 37.311 PRESSAVG: 2090000 33.5078 32.9321 -43.6125 32.9321 -57.25 -12.8279 -43.6125 -12.8277 -12.7586 GPRESSAVG: 2090000 35.0289 31.9756 -41.0858 30.2751 -59.5405 -11.7836 -44.2097 -13.6557 -11.8932 TIMING: 2090000 CPU: 6606.14, 0.00315381/step Wall: 6606.14, 0.00315381/step, 2.54933 hours remaining, 235.191406 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: 2090000 3916.0521 20445.6496 14410.5498 236.0641 -203693.4463 2739.0689 0.0000 0.0000 52188.0552 -109758.0067 299.9255 -161946.0619 -109398.4102 298.0206 72.2619 96.3171 762078.3417 -12.1669 -12.1349 PRESSURE: 2090200 124.559 18.844 53.6937 18.8436 237.103 -13.405 53.6941 -13.4061 -41.3266 GPRESSURE: 2090200 216.747 20.5807 92.2201 29.5665 215.021 96.6354 -2.51122 -6.34283 -30.0778 PRESSAVG: 2090200 22.6311 -1.02321 -35.8234 -1.02324 30.0349 -20.3474 -35.8233 -20.3474 4.45383 GPRESSAVG: 2090200 20.3796 -1.76954 -35.523 0.486766 31.7214 -20.0968 -35.8481 -20.4822 4.26013 TIMING: 2090200 CPU: 6606.77, 0.00315359/step Wall: 6606.77, 0.00315359/step, 2.54898 hours remaining, 235.191406 MB of memory in use. ENERGY: 2090200 3973.3426 20367.7888 14390.0213 251.8083 -203789.8179 2900.4952 0.0000 0.0000 52132.5356 -109773.8260 299.6064 -161906.3616 -109403.4631 298.3394 106.7783 133.8966 760746.6891 19.0400 18.7870 PRESSURE: 2090400 396.883 -88.7027 -131.583 -88.7022 244.504 2.69606 -131.583 2.69691 78.2197 GPRESSURE: 2090400 419.905 37.6217 -159.586 -91.0172 332.632 -44.4667 36.6771 -46.8917 35.4785 PRESSAVG: 2090400 -29.5084 -33.5376 -14.1949 -33.5376 6.66518 -3.48196 -14.1949 -3.48197 -11.9025 GPRESSAVG: 2090400 -28.8495 -33.0928 -16.9537 -34.5827 6.53022 -4.53386 -13.1583 -1.65997 -11.9228 TIMING: 2090400 CPU: 6607.4, 0.00315975/step Wall: 6607.4, 0.00315975/step, 2.55378 hours remaining, 235.191406 MB of memory in use. ENERGY: 2090400 3917.1693 20427.3571 14522.9823 250.7919 -203328.2359 2602.1860 0.0000 0.0000 52074.7539 -109532.9954 299.2743 -161607.7493 -109167.6870 298.4479 239.8689 262.6721 761597.9720 -11.5819 -11.4140 PRESSURE: 2090600 85.5818 -90.353 -4.55509 -90.3542 12.3316 -87.7459 -4.55511 -87.7456 -96.3733 GPRESSURE: 2090600 168.352 26.1516 -55.6119 80.4026 -53.3786 27.3559 -38.8241 -111.098 -30.3083 PRESSAVG: 2090600 27.8041 50.1395 -26.8541 50.1395 -42.724 28.4707 -26.8541 28.4707 -29.4515 GPRESSAVG: 2090600 27.9277 49.2284 -26.1742 52.1435 -42.6993 29.0259 -27.2703 25.4405 -29.6058 TIMING: 2090600 CPU: 6608.03, 0.00313924/step Wall: 6608.03, 0.00313924/step, 2.53703 hours remaining, 235.191406 MB of memory in use. ENERGY: 2090600 3821.8385 20484.5733 14532.4287 259.0426 -203302.6956 2647.8758 0.0000 0.0000 51960.4222 -109596.5144 298.6173 -161556.9366 -109237.0246 298.6252 0.5134 28.2217 761083.9460 -14.7905 -14.7925 PRESSURE: 2090800 128.978 -32.1257 -210.559 -32.1248 -229.212 185.888 -210.559 185.888 -258.382 GPRESSURE: 2090800 103.229 -38.3128 -139.125 -61.2167 -172.639 144.246 -343.113 181.014 -202.904 PRESSAVG: 2090800 23.4402 -46.3074 -35.6418 -46.3073 11.0798 13.4885 -35.6419 13.4885 18.2679 GPRESSAVG: 2090800 22.7894 -46.6552 -34.8782 -46.5483 10.4662 13.2096 -38.8435 16.9818 19.8383 TIMING: 2090800 CPU: 6608.66, 0.00313957/step Wall: 6608.66, 0.00313957/step, 2.53712 hours remaining, 235.191406 MB of memory in use. ENERGY: 2090800 3999.0046 20385.5239 14369.9134 231.8383 -203130.8919 2542.3924 0.0000 0.0000 51975.6070 -109626.6123 298.7045 -161602.2193 -109255.5865 298.7040 -119.5387 -90.7712 763899.7316 17.5960 17.6980 PRESSURE: 2091000 -268.766 8.97837 2.24254 8.97909 284.543 -171.078 2.24252 -171.079 148.61 GPRESSURE: 2091000 -131.255 -97.6085 -80.6651 -48.0445 237.743 -232.02 67.1299 -204.143 140.414 PRESSAVG: 2091000 22.1937 -38.223 -49.9393 -38.223 -19.5846 -11.5861 -49.9394 -11.5861 -24.5956 GPRESSAVG: 2091000 22.8904 -37.0056 -49.6879 -39.9556 -19.5732 -11.7915 -48.6927 -14.1003 -24.9732 TIMING: 2091000 CPU: 6609.28, 0.00314302/step Wall: 6609.28, 0.00314302/step, 2.53973 hours remaining, 235.191406 MB of memory in use. ENERGY: 2091000 3979.3964 20312.4826 14451.2231 251.4322 -203449.7645 2912.1043 0.0000 0.0000 51932.4964 -109610.6295 298.4568 -161543.1259 -109254.3211 298.7492 54.7957 82.3007 763198.7256 -7.3288 -7.2187 PRESSURE: 2091200 -194.603 -100.335 -11.4515 -100.335 -256.997 52.844 -11.4521 52.8443 -564.875 GPRESSURE: 2091200 -116.622 -90.6595 -23.4982 -104.386 -355.681 40.1178 -66.9739 24.7524 -441.904 PRESSAVG: 2091200 -13.4782 -31.9336 -30.693 -31.9335 31.5622 -21.0817 -30.693 -21.0819 -26.119 GPRESSAVG: 2091200 -14.3712 -31.7112 -30.9688 -31.0867 32.6822 -20.4388 -32.4839 -21.1449 -26.4875 TIMING: 2091200 CPU: 6609.92, 0.00315396/step Wall: 6609.92, 0.00315396/step, 2.5484 hours remaining, 235.179688 MB of memory in use. ENERGY: 2091200 3958.8215 20516.0082 14507.3505 260.2089 -202943.0961 2176.5126 0.0000 0.0000 51676.9597 -109847.2348 296.9882 -161524.1945 -109488.3741 298.2730 -338.8253 -304.7357 762569.8105 -2.6783 -2.7255 PRESSURE: 2091400 -137.663 -115.393 -66.1178 -115.393 -666.691 -94.1475 -66.1165 -94.1468 -3.10123 GPRESSURE: 2091400 -153.828 -151.042 65.4605 -204.887 -546.566 -124.495 -52.8302 -95.8631 -29.8296 PRESSAVG: 2091400 49.8757 -67.6683 -90.11 -67.6683 -31.9523 -5.78947 -90.11 -5.78952 -5.72253 GPRESSAVG: 2091400 49.6935 -68.0858 -90.588 -65.4571 -31.9236 -6.13778 -86.8856 -4.55615 -5.65715 TIMING: 2091400 CPU: 6610.55, 0.00316254/step Wall: 6610.55, 0.00316254/step, 2.55516 hours remaining, 235.179688 MB of memory in use. ENERGY: 2091400 4001.7015 20478.8344 14462.5978 242.1765 -203237.9318 2332.8620 0.0000 0.0000 52016.0360 -109703.7236 298.9369 -161719.7596 -109340.5500 298.1226 -269.1518 -243.4077 762540.9088 4.0670 4.0376 PRESSURE: 2091600 222.607 53.9965 -144.289 53.997 117.859 184.899 -144.29 184.899 332.97 GPRESSURE: 2091600 175.654 78.8588 -108.518 46.1429 159.369 272.751 -218.105 198.898 428.824 PRESSAVG: 2091600 -35.6887 -43.8677 -49.0937 -43.8676 8.88049 34.3997 -49.0936 34.3998 36.2079 GPRESSAVG: 2091600 -36.8531 -43.6268 -48.5822 -44.8472 9.41617 34.2108 -52.1173 35.3229 36.5553 TIMING: 2091600 CPU: 6611.18, 0.00316362/step Wall: 6611.18, 0.00316362/step, 2.55585 hours remaining, 235.191406 MB of memory in use. ENERGY: 2091600 4024.0351 20480.2622 14492.0886 240.1436 -203457.8033 2740.6206 0.0000 0.0000 52032.4787 -109448.1744 299.0314 -161480.6531 -109080.8045 298.3853 224.4788 254.6154 760742.7621 3.1332 3.0395 PRESSURE: 2091800 44.8919 191.448 -5.54647 191.448 84.4149 11.2445 -5.54634 11.2451 -35.3281 GPRESSURE: 2091800 203.586 127.691 -64.9966 145.652 -12.1992 -38.828 -72.6461 -3.58447 -22.9664 PRESSAVG: 2091800 70.3068 -55.2318 -30.8978 -55.2318 -74.2819 32.6215 -30.8978 32.6216 -20.54 GPRESSAVG: 2091800 72.1747 -55.176 -31.0759 -55.7378 -76.7164 33.812 -28.0768 31.6456 -20.1611 TIMING: 2091800 CPU: 6611.81, 0.00315413/step Wall: 6611.81, 0.00315413/step, 2.54801 hours remaining, 235.191406 MB of memory in use. ENERGY: 2091800 3956.5917 20604.3914 14411.7990 242.6361 -203092.2487 2527.7586 0.0000 0.0000 51907.5755 -109441.4963 298.3135 -161349.0718 -109080.0264 298.9156 31.3262 56.1400 762765.5324 -8.1717 -8.2343 PRESSURE: 2092000 -71.0954 -154.236 -217.854 -154.235 57.8581 70.4006 -217.853 70.4005 67.7222 GPRESSURE: 2092000 -3.58408 -132.258 -235.911 37.1781 29.941 136.397 -276.916 4.54078 116.811 PRESSAVG: 2092000 36.0997 -55.9945 -68.38 -55.9945 2.84438 81.9616 -68.38 81.9615 10.6605 GPRESSAVG: 2092000 36.3179 -56.2265 -68.6201 -56.0876 4.48647 82.7805 -68.9155 80.7126 8.66618 TIMING: 2092000 CPU: 6612.44, 0.0031451/step Wall: 6612.44, 0.0031451/step, 2.54054 hours remaining, 235.191406 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: 2092000 3956.9917 20426.9718 14496.8839 240.1097 -203554.0584 2857.2363 0.0000 0.0000 52118.4816 -109457.3832 299.5256 -161575.8648 -109085.7870 299.1744 18.1616 47.7227 760826.8043 16.5349 16.4902 PRESSURE: 2092200 -245.425 -200.357 -150.667 -200.357 -113.334 54.9267 -150.668 54.9273 -154.752 GPRESSURE: 2092200 -218.111 -226.718 -177.603 -107.813 -67.6099 127.188 -70.7617 -24.4111 -164.038 PRESSAVG: 2092200 11.179 -32.4036 -53.5898 -32.4037 -40.3385 37.7469 -53.5898 37.747 -18.0908 GPRESSAVG: 2092200 9.60895 -29.8614 -53.4097 -34.8525 -40.5408 38.164 -54.1516 37.3644 -16.5286 TIMING: 2092200 CPU: 6613.07, 0.00313878/step Wall: 6613.07, 0.00313878/step, 2.53526 hours remaining, 235.191406 MB of memory in use. ENERGY: 2092200 3982.6569 20535.7270 14489.7424 271.7890 -203456.5410 2673.6230 0.0000 0.0000 52003.8019 -109499.2009 298.8666 -161503.0028 -109146.4430 299.4839 -171.1704 -149.9199 762888.3495 -15.7501 -15.8202 LDB: ============= START OF LOAD BALANCING ============== 6625.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6625.6 LDB: =============== DONE WITH MIGRATION ================ 6625.6 LDB: ============= START OF LOAD BALANCING ============== 6625.92 LDB: Largest compute 7057 load 0.029354 is 15.0% of average load 0.195479 LDB: Average compute 0.004388 is 2.2% of average load 0.195479 LDB: TIME 6625.92 LOAD: AVG 0.195479 MAX 0.215967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.016 MB LDB: TIME 6625.92 LOAD: AVG 0.195479 MAX 0.215967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.219 MB LDB: TIME 6625.92 LOAD: AVG 0.195479 MAX 0.215967 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.219 MB LDB: ============== END OF LOAD BALANCING =============== 6625.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6625.93 PRESSURE: 2092400 16.3354 64.2339 -0.519966 64.2343 -10.4625 -165.802 -0.520252 -165.803 236.183 GPRESSURE: 2092400 60.0347 122.601 -25.8505 -12.7576 76.3468 -173.35 11.8708 -125.419 160.537 PRESSAVG: 2092400 11.8395 -38.1404 -27.9584 -38.1404 12.0558 40.3782 -27.9584 40.3782 29.3094 GPRESSAVG: 2092400 12.4727 -37.9709 -26.056 -37.4265 11.3277 37.9547 -26.2516 42.7166 29.2704 TIMING: 2092400 CPU: 6613.71, 0.00321117/step Wall: 6613.71, 0.00321117/step, 2.59355 hours remaining, 235.964844 MB of memory in use. ENERGY: 2092400 4061.0768 20589.6785 14473.7459 233.5457 -203538.2541 2705.9309 0.0000 0.0000 51959.0593 -109515.2171 298.6094 -161474.2764 -109154.0208 298.9557 80.6854 98.9728 760230.7963 17.7349 17.6903 PRESSURE: 2092600 -456.582 -192.339 -53.1381 -192.338 -293.527 90.0231 -53.1387 90.0236 -195.489 GPRESSURE: 2092600 -386.497 -118.023 -17.7273 -36.681 -292.387 -14.3424 -77.4126 30.9853 -203.687 PRESSAVG: 2092600 16.6331 -42.295 -31.7816 -42.295 -47.444 32.0951 -31.7816 32.0951 -11.962 GPRESSAVG: 2092600 16.3961 -43.7093 -33.8019 -40.8469 -46.6041 32.0917 -31.6442 30.9901 -12.3313 TIMING: 2092600 CPU: 6614.34, 0.00313896/step Wall: 6614.34, 0.00313896/step, 2.53506 hours remaining, 236.371094 MB of memory in use. ENERGY: 2092600 4053.0421 20608.2656 14417.6367 242.4080 -203339.5139 2613.0757 0.0000 0.0000 51912.6399 -109492.4460 298.3427 -161405.0858 -109132.8641 298.6573 -315.1996 -294.1902 761437.5868 -14.2576 -14.1798 PRESSURE: 2092800 -1.02161 -253.977 -50.7971 -253.977 -362.324 -225.797 -50.7975 -225.797 -338.909 GPRESSURE: 2092800 31.918 -180.046 -94.8137 -315.315 -329.514 -218.347 -23.9059 -109.522 -319.135 PRESSAVG: 2092800 -2.98184 -70.4804 -41.9835 -70.4804 -16.3801 -37.6695 -41.9835 -37.6695 -8.43067 GPRESSAVG: 2092800 -3.17706 -69.3459 -41.1937 -70.4517 -16.9422 -37.6822 -43.175 -36.4614 -7.20948 TIMING: 2092800 CPU: 6614.97, 0.00313779/step Wall: 6614.97, 0.00313779/step, 2.53394 hours remaining, 236.371094 MB of memory in use. ENERGY: 2092800 3997.1788 20383.6296 14533.6351 239.6263 -203030.0345 2201.5198 0.0000 0.0000 51937.2295 -109737.2154 298.4840 -161674.4449 -109375.5003 298.4527 -234.0849 -205.5769 761462.9441 -9.2642 -9.1096 PRESSURE: 2093000 -31.0795 -10.5428 15.1332 -10.5426 273.763 -262.693 15.1334 -262.693 -367.474 GPRESSURE: 2093000 -66.0778 -31.4703 7.87539 -36.8862 378.506 -173.104 -40.4726 -143.56 -363.464 PRESSAVG: 2093000 -20.8047 -45.3256 8.60787 -45.3256 27.0424 31.3228 8.60788 31.3229 24.5527 GPRESSAVG: 2093000 -19.9023 -45.2659 9.84233 -46.0679 28.4675 32.3867 9.61349 29.0527 22.0203 TIMING: 2093000 CPU: 6615.6, 0.00315804/step Wall: 6615.6, 0.00315804/step, 2.55012 hours remaining, 236.371094 MB of memory in use. ENERGY: 2093000 4009.2381 20672.3520 14488.0360 248.2804 -203316.0391 2534.7451 0.0000 0.0000 51839.6745 -109523.7130 297.9233 -161363.3875 -109178.0284 298.7102 -41.5967 -17.0119 759439.7973 10.2635 10.1952 PRESSURE: 2093200 9.82827 33.0838 -298.522 33.0841 12.2263 281.082 -298.522 281.081 166.599 GPRESSURE: 2093200 12.5932 25.1508 -282.423 93.4204 67.6756 170.477 -259.438 250.085 187.458 PRESSAVG: 2093200 60.1462 -34.6471 -49.2497 -34.6472 -23.0211 14.0256 -49.2496 14.0255 8.02691 GPRESSAVG: 2093200 59.1873 -35.9378 -48.7558 -32.8334 -24.0747 12.9095 -49.6029 16.1073 9.82345 TIMING: 2093200 CPU: 6616.23, 0.00316154/step Wall: 6616.23, 0.00316154/step, 2.55276 hours remaining, 236.371094 MB of memory in use. ENERGY: 2093200 3975.1842 20584.2571 14469.9285 234.0784 -203410.7009 2609.8323 0.0000 0.0000 51842.3385 -109695.0819 297.9386 -161537.4204 -109339.7200 298.5053 62.8846 89.2424 759322.7113 15.0507 14.9787 PRESSURE: 2093400 172.222 108.715 28.5132 108.714 454.033 254.768 28.5125 254.769 134.225 GPRESSURE: 2093400 206.353 113.514 -20.5713 228.475 482.55 280.597 -36.9399 155.006 169.132 PRESSAVG: 2093400 -11.692 -16.5172 -37.0995 -16.5173 -6.01917 91.3824 -37.0996 91.3824 -16.0248 GPRESSAVG: 2093400 -11.221 -15.652 -39.0674 -17.9481 -6.70102 91.9017 -36.9961 89.5141 -15.5957 TIMING: 2093400 CPU: 6616.86, 0.00313786/step Wall: 6616.86, 0.00313786/step, 2.53347 hours remaining, 236.371094 MB of memory in use. ENERGY: 2093400 3990.0536 20596.0914 14467.6886 266.8100 -203669.5189 2802.3575 0.0000 0.0000 51814.1008 -109732.4171 297.7763 -161546.5179 -109380.1771 298.4888 253.4933 286.0115 761572.0900 -11.2453 -11.1726 PRESSURE: 2093600 -15.4067 -139.194 34.6692 -139.193 81.6706 143.214 34.6692 143.213 85.3685 GPRESSURE: 2093600 109.443 -95.6537 46.0834 -129.694 40.4196 174.173 -5.01162 118.184 86.8103 PRESSAVG: 2093600 28.818 -2.0468 14.585 -2.04673 -10.4802 65.6643 14.585 65.6642 26.9084 GPRESSAVG: 2093600 27.8412 -4.28026 14.137 -0.683858 -8.91644 64.0769 14.9882 66.3158 26.7211 TIMING: 2093600 CPU: 6617.49, 0.003148/step Wall: 6617.49, 0.003148/step, 2.54148 hours remaining, 236.371094 MB of memory in use. ENERGY: 2093600 3947.9401 20493.2655 14529.2831 250.4695 -203597.5153 2668.1195 0.0000 0.0000 52062.2600 -109646.1777 299.2025 -161708.4377 -109272.3758 298.4693 50.5442 78.8909 762368.4605 15.0821 15.2153 PRESSURE: 2093800 -123.278 -269.033 -31.5755 -269.033 -138.254 -60.6777 -31.5751 -60.6777 247.999 GPRESSURE: 2093800 -67.3463 -287.151 -64.1368 -259.933 -10.1559 -159.424 7.29465 -91.068 146.953 PRESSAVG: 2093800 -1.73312 -83.6635 -43.4819 -83.6635 -21.6878 51.4235 -43.4818 51.4234 -2.29896 GPRESSAVG: 2093800 0.017085 -84.2199 -42.2835 -85.2236 -23.7335 52.6652 -42.0206 51.1746 -2.45335 TIMING: 2093800 CPU: 6618.12, 0.00314163/step Wall: 6618.12, 0.00314163/step, 2.53617 hours remaining, 236.371094 MB of memory in use. ENERGY: 2093800 4005.3872 20343.0511 14477.2219 244.6268 -203473.4171 3004.1667 0.0000 0.0000 51978.9384 -109420.0249 298.7237 -161398.9633 -109054.0565 298.4808 -4.5112 23.1504 761748.2588 -8.5733 -8.7233 PRESSURE: 2094000 -221.864 -78.266 244.099 -78.2658 -119.003 306.895 244.099 306.895 266.981 GPRESSURE: 2094000 -255.39 -144.71 238.003 62.1577 -47.0426 440.063 162.789 271.724 288.489 PRESSAVG: 2094000 1.66218 -4.05079 -5.02433 -4.05081 -62.0165 -13.0097 -5.02435 -13.0097 -16.1604 GPRESSAVG: 2094000 1.01871 -2.19071 -3.48615 -2.95469 -61.7197 -11.863 -9.24321 -12.5475 -15.987 TIMING: 2094000 CPU: 6618.74, 0.00313742/step Wall: 6618.74, 0.00313742/step, 2.5326 hours remaining, 236.371094 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: 2094000 3948.9731 20685.8748 14411.3182 264.2859 -203491.8543 2568.2857 0.0000 0.0000 52030.7209 -109582.3956 299.0213 -161613.1165 -109222.4562 298.3240 -24.6287 -4.6478 761529.2684 -25.5049 -25.5627 PRESSURE: 2094200 217.278 -94.4029 208.48 -94.4034 22.8594 -101.287 208.48 -101.287 187.62 GPRESSURE: 2094200 314.886 -38.2224 154.259 -190.119 47.2929 -118.12 102.678 -207.898 166.275 PRESSAVG: 2094200 19.8371 -27.4863 -16.4759 -27.4863 -8.74232 72.7933 -16.4759 72.7933 28.8704 GPRESSAVG: 2094200 19.0394 -26.9578 -18.0431 -31.2741 -8.48009 70.7436 -14.5815 73.9199 29.4993 TIMING: 2094200 CPU: 6619.37, 0.00314702/step Wall: 6619.37, 0.00314702/step, 2.54017 hours remaining, 236.441406 MB of memory in use. ENERGY: 2094200 3984.6970 20504.8581 14386.6017 243.0850 -203326.9852 2681.3098 0.0000 0.0000 52004.4108 -109522.0227 298.8701 -161526.4335 -109160.1328 299.1680 142.5858 176.1512 760757.2425 13.3217 13.3529 PRESSURE: 2094400 -364.709 44.2392 -332.608 44.2399 295.969 32.4255 -332.609 32.4263 -307.212 GPRESSURE: 2094400 -285.465 119.247 -352.129 70.6073 261.552 -79.9788 -265.615 -94.3607 -258.054 PRESSAVG: 2094400 -30.4193 -32.1014 -48.3232 -32.1014 12.2106 7.42282 -48.3231 7.42278 -28.0657 GPRESSAVG: 2094400 -28.1609 -31.7365 -47.7447 -30.8977 12.1417 8.13142 -49.2212 5.21549 -30.0658 TIMING: 2094400 CPU: 6620, 0.00315081/step Wall: 6620, 0.00315081/step, 2.54305 hours remaining, 236.441406 MB of memory in use. ENERGY: 2094400 4001.7843 20632.9340 14562.8602 254.7331 -203282.5003 2414.3399 0.0000 0.0000 52137.7806 -109278.0681 299.6365 -161415.8488 -108915.7368 299.3059 -125.3174 -93.9893 761501.5144 -15.4248 -15.3616 PRESSURE: 2094600 306.227 -184.984 283.847 -184.985 140.959 -65.4504 283.847 -65.4505 -435.82 GPRESSURE: 2094600 253.43 -118.255 280.202 -76.305 236.762 15.6877 135.618 -80.1636 -368.07 PRESSAVG: 2094600 -12.4852 -10.0631 -10.7022 -10.0632 27.5224 16.1096 -10.7023 16.1096 -4.83849 GPRESSAVG: 2094600 -15.5784 -10.1152 -12.1626 -10.1206 28.2959 15.3945 -10.3373 16.6348 -2.71327 TIMING: 2094600 CPU: 6620.63, 0.00314628/step Wall: 6620.63, 0.00314628/step, 2.53922 hours remaining, 236.441406 MB of memory in use. ENERGY: 2094600 4006.8713 20588.2913 14460.8207 266.1183 -203563.1168 2694.8441 0.0000 0.0000 52391.6852 -109154.4859 301.0957 -161546.1711 -108792.2548 299.8894 3.7885 40.7071 761443.3226 3.3996 3.3348 PRESSURE: 2094800 -233.615 -388.241 109.06 -388.241 133.227 12.3046 109.061 12.3051 -220.505 GPRESSURE: 2094800 -187.77 -190.949 222.825 -284.272 95.3631 -16.8743 189.337 35.0586 -138.186 PRESSAVG: 2094800 -30.9946 13.3626 19.5769 13.3626 5.88262 -15.3337 19.5769 -15.3337 7.6076 GPRESSAVG: 2094800 -29.6685 12.7214 21.6417 14.5821 4.77083 -14.934 19.8319 -14.5099 7.11325 TIMING: 2094800 CPU: 6621.26, 0.00314554/step Wall: 6621.26, 0.00314554/step, 2.53845 hours remaining, 236.441406 MB of memory in use. ENERGY: 2094800 4051.8489 20659.0060 14419.5668 247.8161 -203530.0958 2860.6953 0.0000 0.0000 52140.6185 -109150.5444 299.6529 -161291.1628 -108798.6883 299.9440 -106.9643 -76.8643 762261.6811 -5.8348 -5.9281 PRESSURE: 2095000 266.276 144.857 -153.898 144.856 -242.572 80.025 -153.899 80.0238 235.649 GPRESSURE: 2095000 302.559 153.24 -77.8389 176.822 -155.815 99.6735 -185.872 4.05337 193.431 PRESSAVG: 2095000 36.5132 -19.7736 23.285 -19.7736 -59.1676 96.448 23.285 96.448 -13.3686 GPRESSAVG: 2095000 37.0212 -19.0915 23.5012 -19.8702 -59.1308 96.944 22.3657 94.3991 -13.8284 TIMING: 2095000 CPU: 6621.89, 0.00315242/step Wall: 6621.89, 0.00315242/step, 2.54383 hours remaining, 236.441406 MB of memory in use. ENERGY: 2095000 3930.9514 20483.0810 14467.6355 250.9594 -203413.4299 2802.7858 0.0000 0.0000 52328.4194 -109149.5975 300.7321 -161478.0169 -108773.0799 300.0398 86.4511 113.3915 762348.6371 -12.0077 -11.9793 PRESSURE: 2095200 -159.967 66.7693 -142.856 66.7699 -205.745 -137.527 -142.855 -137.527 -253.422 GPRESSURE: 2095200 -99.737 49.2461 -168.038 12.7726 -166.598 -166.478 -156.697 60.9306 -268.488 PRESSAVG: 2095200 -23.4554 -21.0909 -5.63114 -21.0909 -0.00815836 26.0815 -5.63106 26.0814 -19.5566 GPRESSAVG: 2095200 -25.2987 -21.6201 -8.13018 -21.4701 1.08557 27.6964 -3.27479 28.1264 -18.8064 TIMING: 2095200 CPU: 6622.52, 0.00315058/step Wall: 6622.52, 0.00315058/step, 2.54217 hours remaining, 236.441406 MB of memory in use. ENERGY: 2095200 4037.1376 20550.9530 14531.8137 239.1138 -203183.1621 2534.5940 0.0000 0.0000 52018.4308 -109271.1193 298.9506 -161289.5501 -108909.3496 299.7960 -206.3781 -178.2743 762432.4602 -14.3400 -14.3398 PRESSURE: 2095400 -124.814 -47.6588 78.2979 -47.6588 -116.66 -153.293 78.2971 -153.293 283.678 GPRESSURE: 2095400 -86.62 -148.46 63.1966 -122.995 -55.4873 -29.3151 18.4385 -130.141 247.663 PRESSAVG: 2095400 -0.385485 -40.5032 21.6306 -40.5032 -1.19411 10.1722 21.6307 10.1722 -3.52939 GPRESSAVG: 2095400 -0.112852 -39.8689 24.3102 -38.9984 -0.408055 8.46606 20.1629 9.18624 -4.91698 TIMING: 2095400 CPU: 6623.15, 0.00315012/step Wall: 6623.15, 0.00315012/step, 2.54162 hours remaining, 236.441406 MB of memory in use. ENERGY: 2095400 3975.1495 20510.8002 14516.3734 235.4201 -202809.6469 2448.4149 0.0000 0.0000 52048.1308 -109075.3580 299.1213 -161123.4888 -108712.7379 299.4520 14.0680 35.1854 763797.6348 -1.7030 -1.8126 PRESSURE: 2095600 -97.4538 -142.232 175.381 -142.232 -318.405 -30.2848 175.381 -30.2841 -121.659 GPRESSURE: 2095600 -101.277 -182.346 207.647 -90.7499 -301.988 -82.2764 112.612 -71.7028 -34.2503 PRESSAVG: 2095600 32.7141 -48.1831 -54.335 -48.1831 -5.51773 -0.363725 -54.3349 -0.363708 1.17118 GPRESSAVG: 2095600 33.3281 -48.1255 -53.2395 -49.122 -7.43877 -2.16332 -53.7868 0.292424 2.53741 TIMING: 2095600 CPU: 6623.78, 0.00314659/step Wall: 6623.78, 0.00314659/step, 2.5386 hours remaining, 236.441406 MB of memory in use. ENERGY: 2095600 4045.8656 20566.3778 14463.1955 236.3604 -203177.1691 2648.0501 0.0000 0.0000 52005.3061 -109212.0137 298.8752 -161217.3198 -108849.9126 299.4239 -179.1724 -145.8381 763914.2621 9.4559 9.4756 PRESSURE: 2095800 233.657 -368.986 -141.472 -368.985 -80.0468 -98.132 -141.473 -98.1309 -188.248 GPRESSURE: 2095800 185.436 -392.708 -155.87 -381.827 33.31 -1.2451 -126.075 -121.701 -165.619 PRESSAVG: 2095800 46.2742 -116.698 -59.5396 -116.698 -51.6929 8.97037 -59.5396 8.97036 9.83272 GPRESSAVG: 2095800 47.0113 -120.165 -60.8506 -115.549 -51.5989 9.99023 -58.7432 8.96863 9.0959 TIMING: 2095800 CPU: 6624.41, 0.00315683/step Wall: 6624.41, 0.00315683/step, 2.54668 hours remaining, 236.441406 MB of memory in use. ENERGY: 2095800 4001.0020 20602.2156 14428.6206 235.9342 -203277.4912 2698.5418 0.0000 0.0000 51866.9910 -109444.1859 298.0803 -161311.1769 -109083.9552 299.2750 -11.5460 17.7090 762501.2648 1.4714 1.5028 PRESSURE: 2096000 36.0831 183.607 83.916 183.607 -83.8983 -10.3 83.9166 -10.2999 13.843 GPRESSURE: 2096000 90.4846 171.414 61.6014 84.5407 -64.3979 -37.7887 174.109 -51.1525 19.2973 PRESSAVG: 2096000 -51.4464 -105.448 1.91883 -105.448 35.5846 8.51762 1.91885 8.51766 -7.30275 GPRESSAVG: 2096000 -51.2437 -103.066 3.02468 -107.028 35.7302 9.57279 0.181126 6.95098 -7.52331 TIMING: 2096000 CPU: 6625.05, 0.00316477/step Wall: 6625.05, 0.00316477/step, 2.55292 hours remaining, 236.441406 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: 2096000 3962.2988 20531.2162 14432.2702 232.1884 -203250.6321 2676.7606 0.0000 0.0000 52059.8337 -109356.0643 299.1886 -161415.8980 -108985.8732 299.0032 -11.3241 15.1280 762294.5146 -7.7215 -7.6789 PRESSURE: 2096200 -144.757 -80.0558 120.698 -80.0553 25.8948 -117.04 120.698 -117.04 -10.4069 GPRESSURE: 2096200 -60.0723 19.9319 111.37 -12.4129 55.6901 -43.7772 -48.3553 4.72456 -35.7046 PRESSAVG: 2096200 -5.25483 -16.4163 32.1325 -16.4163 -17.7124 -19.9366 32.1325 -19.9367 33.0191 GPRESSAVG: 2096200 -4.76062 -15.7826 31.6564 -16.4527 -17.6009 -20.7318 33.3281 -19.8503 32.3722 TIMING: 2096200 CPU: 6625.68, 0.00315406/step Wall: 6625.68, 0.00315406/step, 2.5441 hours remaining, 236.441406 MB of memory in use. ENERGY: 2096200 4064.0763 20546.4795 14438.5336 251.5684 -203560.7855 2887.6604 0.0000 0.0000 52223.1916 -109149.2756 300.1274 -161372.4672 -108789.1767 299.9655 -43.0896 -13.3623 760852.8594 3.3506 3.3369 LDB: ============= START OF LOAD BALANCING ============== 6638.21 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6638.21 LDB: =============== DONE WITH MIGRATION ================ 6638.21 LDB: ============= START OF LOAD BALANCING ============== 6638.53 LDB: Largest compute 7061 load 0.028658 is 14.7% of average load 0.195567 LDB: Average compute 0.004370 is 2.2% of average load 0.195567 LDB: TIME 6638.53 LOAD: AVG 0.195567 MAX 0.217357 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 6638.53 LOAD: AVG 0.195567 MAX 0.217357 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 6638.53 LOAD: AVG 0.195567 MAX 0.217357 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 6638.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6638.54 PRESSURE: 2096400 -152.563 -39.0805 -79.4553 -39.0804 -138.96 116.979 -79.4547 116.979 -424.765 GPRESSURE: 2096400 -105.655 -100.786 -32.1762 30.7704 -199.12 31.7777 -122.069 116.051 -321.412 PRESSAVG: 2096400 -17.1331 -47.3635 -67.4233 -47.3635 -4.69475 41.5988 -67.4233 41.5988 -13.3379 GPRESSAVG: 2096400 -17.8407 -48.2259 -65.7865 -46.4351 -4.20077 41.7321 -67.9643 45.2397 -13.676 TIMING: 2096400 CPU: 6626.32, 0.00322241/step Wall: 6626.32, 0.00322241/step, 2.59905 hours remaining, 236.675781 MB of memory in use. ENERGY: 2096400 3937.9275 20581.1968 14462.4811 240.9960 -203116.4625 2667.9421 0.0000 0.0000 52165.6435 -109060.2755 299.7967 -161225.9190 -108693.4587 299.5022 -238.7626 -208.7286 762690.2337 -11.7219 -11.9058 PRESSURE: 2096600 -190.112 -14.3057 -116.07 -14.3055 210.223 178.282 -116.069 178.283 180.971 GPRESSURE: 2096600 -57.7723 -126.287 -210.478 -93.5858 176.133 154.898 -176.175 174.452 165.52 PRESSAVG: 2096600 44.5974 -35.708 -65.5668 -35.708 -41.8678 32.0898 -65.5667 32.0898 9.90359 GPRESSAVG: 2096600 44.768 -35.8199 -68.4681 -36.7932 -42.8734 32.3797 -65.8223 29.6051 10.2299 TIMING: 2096600 CPU: 6626.95, 0.00315383/step Wall: 6626.95, 0.00315383/step, 2.54356 hours remaining, 237.171875 MB of memory in use. ENERGY: 2096600 3921.4018 20545.7973 14447.9632 255.6318 -202885.7026 2585.4122 0.0000 0.0000 52059.5790 -109069.9174 299.1871 -161129.4964 -108712.8593 299.8026 67.0274 94.6269 762582.6297 4.2111 4.0415 PRESSURE: 2096800 14.4396 88.4038 215.696 88.4039 116.775 -215.875 215.695 -215.876 -64.6038 GPRESSURE: 2096800 -19.9124 195.773 254.697 26.6299 174.199 -189.113 247.931 -168.167 -6.97705 PRESSAVG: 2096800 37.4907 -68.2149 -18.6719 -68.2149 -32.2802 29.5358 -18.6719 29.5358 -39.207 GPRESSAVG: 2096800 35.8781 -67.754 -17.2783 -65.8826 -30.8732 28.8848 -17.2018 31.2621 -39.604 TIMING: 2096800 CPU: 6627.58, 0.00314845/step Wall: 6627.58, 0.00314845/step, 2.53905 hours remaining, 237.171875 MB of memory in use. ENERGY: 2096800 3999.8805 20433.2630 14378.2302 253.1690 -203585.2227 2967.1978 0.0000 0.0000 52378.6858 -109174.7963 301.0210 -161553.4821 -108808.6936 299.6293 22.2036 49.1031 762473.8085 -11.3321 -11.5330 PRESSURE: 2097000 -161.112 109.458 142.108 109.458 53.8543 -79.3655 142.108 -79.3657 -91.1093 GPRESSURE: 2097000 -83.2607 46.1917 109.555 46.4256 23.2535 -141.897 67.523 -23.8508 -59.6156 PRESSAVG: 2097000 21.0719 13.9524 34.6531 13.9524 -49.6654 -27.2617 34.6531 -27.2617 -2.35207 GPRESSAVG: 2097000 21.5578 11.0408 34.4434 13.1552 -50.7831 -26.613 34.0402 -28.1028 -1.76856 TIMING: 2097000 CPU: 6628.21, 0.0031379/step Wall: 6628.21, 0.0031379/step, 2.53037 hours remaining, 237.171875 MB of memory in use. ENERGY: 2097000 3965.1760 20592.5892 14441.4493 233.0106 -203451.2839 2800.6206 0.0000 0.0000 52136.6417 -109281.7965 299.6300 -161418.4381 -108916.1758 299.3428 -66.1223 -39.8743 761985.8003 -10.3152 -10.3313 PRESSURE: 2097200 -63.0132 -283.123 159.553 -283.123 -23.6442 -218.862 159.552 -218.862 -241.143 GPRESSURE: 2097200 -2.83864 -215.819 65.8011 -204.459 -32.5645 -193.825 52.5293 -269.775 -210.651 PRESSAVG: 2097200 36.2473 -5.76813 2.98222 -5.76814 -38.5168 -63.3825 2.98222 -63.3824 13.3846 GPRESSAVG: 2097200 36.0008 -3.98585 2.59938 -5.57275 -38.0588 -63.2265 3.32645 -65.9195 13.3019 TIMING: 2097200 CPU: 6628.84, 0.00313351/step Wall: 6628.84, 0.00313351/step, 2.52665 hours remaining, 237.375000 MB of memory in use. ENERGY: 2097200 4112.2729 20510.6951 14454.8948 229.3370 -203009.9507 2581.4271 0.0000 0.0000 51783.6601 -109337.6639 297.6014 -161121.3240 -108981.7504 299.4802 -109.2668 -82.0182 763015.8588 3.7050 3.7480 PRESSURE: 2097400 -335.609 6.26572 202.489 6.26609 -18.9416 -295.01 202.489 -295.01 -118.558 GPRESSURE: 2097400 -316.987 -31.8258 131.132 -7.51123 18.8486 -187.436 202.067 -256.742 -94.6626 PRESSAVG: 2097400 58.4654 13.2717 11.3907 13.2717 -36.2591 8.78155 11.3907 8.78163 -1.63244 GPRESSAVG: 2097400 59.3024 11.083 11.6324 12.4355 -37.5949 8.43003 10.7205 9.03571 -0.928781 TIMING: 2097400 CPU: 6629.46, 0.00314625/step Wall: 6629.46, 0.00314625/step, 2.53675 hours remaining, 237.375000 MB of memory in use. ENERGY: 2097400 3999.8439 20539.5049 14441.7545 255.9338 -202857.9612 2455.3669 0.0000 0.0000 51825.9570 -109339.6002 297.8445 -161165.5571 -108972.1904 299.1893 -157.7028 -130.9336 764441.7839 6.8579 6.9263 PRESSURE: 2097600 215.912 43.9283 103.823 43.9287 150.275 68.3489 103.823 68.3488 5.14331 GPRESSURE: 2097600 152.205 43.8371 189.177 34.8741 201.82 197.728 133.774 -19.189 112.547 PRESSAVG: 2097600 33.8327 -37.2733 74.5145 -37.2732 -43.7251 41.7744 74.5146 41.7744 13.2165 GPRESSAVG: 2097600 33.6925 -35.1823 75.5876 -37.6845 -42.5788 43.1614 74.0955 41.4468 12.5215 TIMING: 2097600 CPU: 6630.09, 0.00314795/step Wall: 6630.09, 0.00314795/step, 2.53794 hours remaining, 237.375000 MB of memory in use. ENERGY: 2097600 3965.4737 20572.0649 14420.1654 249.0549 -203137.6146 2697.8848 0.0000 0.0000 52007.3247 -109225.6461 298.8868 -161232.9708 -108855.7824 299.1029 123.7765 155.5240 761766.1331 1.1080 1.2117 PRESSURE: 2097800 -287.162 -275.702 88.7145 -275.702 50.7174 -22.7271 88.7148 -22.7271 -365.205 GPRESSURE: 2097800 -225.632 -296.524 83.6588 -165.835 -31.4395 -84.2817 25.9054 25.1622 -260.743 PRESSAVG: 2097800 54.474 -32.2386 117.444 -32.2386 -30.3786 21.5335 117.444 21.5334 -14.3154 GPRESSAVG: 2097800 54.5269 -31.9202 117.354 -30.8653 -30.1237 19.646 118.681 24.9755 -14.6568 TIMING: 2097800 CPU: 6630.73, 0.00315484/step Wall: 6630.73, 0.00315484/step, 2.54333 hours remaining, 237.375000 MB of memory in use. ENERGY: 2097800 4039.9195 20482.1218 14504.1373 237.8910 -203316.9519 2356.8782 0.0000 0.0000 52179.1880 -109516.8161 299.8745 -161696.0041 -109146.8348 299.8752 -200.5499 -172.6048 762500.6581 3.2600 3.2488 PRESSURE: 2098000 225.554 100.051 96.9674 100.051 -239.877 153.984 96.9674 153.984 689.285 GPRESSURE: 2098000 185.119 26.3101 125.912 52.005 -110.849 153.145 -33.3414 117.125 695.114 PRESSAVG: 2098000 -2.57556 -66.1386 -1.40192 -66.1387 -40.2901 4.96023 -1.40191 4.96027 0.238669 GPRESSAVG: 2098000 -2.42257 -63.9206 -1.99158 -66.1714 -40.7096 5.67008 0.869584 2.5895 0.816782 TIMING: 2098000 CPU: 6631.35, 0.00313586/step Wall: 6631.35, 0.00313586/step, 2.52785 hours remaining, 237.375000 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: 2098000 3928.6121 20602.9484 14447.7166 250.0053 -203786.6564 2996.7936 0.0000 0.0000 52248.5234 -109312.0569 300.2730 -161560.5803 -108943.0680 299.6477 224.9874 256.4614 760665.9195 -14.2090 -14.1051 PRESSURE: 2098200 -385.481 -158.706 -189.164 -158.706 266.359 -261.278 -189.164 -261.278 -128.627 GPRESSURE: 2098200 -289.059 -281.343 -120.983 -208.712 260.119 -256.458 -201.575 -280.286 -135.568 PRESSAVG: 2098200 -19.0124 8.09913 17.3075 8.09914 8.84483 -28.3051 17.3076 -28.3049 28.2789 GPRESSAVG: 2098200 -19.9373 5.79446 18.2042 7.60474 8.8614 -27.912 14.5687 -26.326 28.9486 TIMING: 2098200 CPU: 6631.98, 0.00313658/step Wall: 6631.98, 0.00313658/step, 2.52826 hours remaining, 237.375000 MB of memory in use. ENERGY: 2098200 3878.8485 20594.9902 14406.6251 259.8795 -203541.1184 2738.4368 0.0000 0.0000 52440.1118 -109222.2264 301.3740 -161662.3383 -108848.4988 299.7922 -82.5833 -54.8361 760937.8870 6.0371 5.9575 PRESSURE: 2098400 190.431 -83.858 -145.266 -83.8589 -139.688 -71.4352 -145.268 -71.4361 -175.634 GPRESSURE: 2098400 160.363 -92.0799 -153.187 -76.1655 -85.3081 -74.6233 -41.3698 -110.533 -129.848 PRESSAVG: 2098400 27.3729 -59.911 18.1806 -59.911 -27.8845 -12.819 18.1806 -12.8189 -0.340099 GPRESSAVG: 2098400 28.6057 -60.0833 16.3053 -58.5364 -27.2041 -12.0061 20.275 -14.4326 -1.40784 TIMING: 2098400 CPU: 6632.61, 0.00314585/step Wall: 6632.61, 0.00314585/step, 2.53555 hours remaining, 237.375000 MB of memory in use. ENERGY: 2098400 3960.5935 20681.0722 14469.7479 257.5299 -203225.0510 2509.0322 0.0000 0.0000 52055.9315 -109291.1439 299.1662 -161347.0753 -108924.8557 299.5136 -41.6302 -18.2642 761080.0756 -0.2839 -0.0021 PRESSURE: 2098600 195.465 96.1545 51.6028 96.1549 33.0844 90.8012 51.603 90.801 -161.24 GPRESSURE: 2098600 183.478 155.884 161.81 103.426 152.317 136.73 64.6404 98.933 -180.983 PRESSAVG: 2098600 19.9845 -25.6027 42.577 -25.6027 -26.7875 10.0186 42.577 10.0186 1.00284 GPRESSAVG: 2098600 21.3005 -26.58 43.9504 -25.2703 -27.4294 8.03976 42.1082 10.2982 1.28192 TIMING: 2098600 CPU: 6633.24, 0.00316181/step Wall: 6633.24, 0.00316181/step, 2.54824 hours remaining, 237.375000 MB of memory in use. ENERGY: 2098600 4047.7319 20599.0846 14448.1052 235.5474 -203729.3816 2825.7234 0.0000 0.0000 52075.8237 -109497.3654 299.2805 -161573.1890 -109137.7837 299.1545 22.4365 51.6044 760544.1583 -1.9334 -1.6156 PRESSURE: 2098800 -339.15 137.392 -250.14 137.391 -39.631 23.8094 -250.141 23.8105 -40.1798 GPRESSURE: 2098800 -298.344 102.571 -279.001 -5.44834 8.77502 36.5463 -216.18 19.802 -50.9706 PRESSAVG: 2098800 13.2385 -11.8897 -23.2938 -11.8897 1.9731 48.0379 -23.2937 48.0379 2.64215 GPRESSAVG: 2098800 10.8764 -10.7225 -22.1036 -14.3631 2.66004 48.0475 -25.693 47.941 4.10108 TIMING: 2098800 CPU: 6633.88, 0.00317236/step Wall: 6633.88, 0.00317236/step, 2.55657 hours remaining, 237.375000 MB of memory in use. ENERGY: 2098800 4040.1405 20403.3475 14444.8278 247.8119 -203440.2809 2768.5045 0.0000 0.0000 51952.9472 -109582.7015 298.5743 -161535.6487 -109213.2157 299.0932 -139.6536 -113.5132 764283.2476 5.9513 5.8792 PRESSURE: 2099000 -78.1378 -14.0866 96.7076 -14.0877 291.25 -193.924 96.7078 -193.925 -261.811 GPRESSURE: 2099000 -85.1357 36.3598 44.5359 24.0501 381.311 -233.77 14.638 -133.311 -252.747 PRESSAVG: 2099000 -24.398 -45.9201 -35.8757 -45.9201 27.9159 24.7789 -35.8757 24.7789 26.848 GPRESSAVG: 2099000 -22.1387 -45.9524 -36.4766 -45.0763 26.9353 25.4862 -35.0253 25.1321 26.1258 TIMING: 2099000 CPU: 6634.51, 0.00317806/step Wall: 6634.51, 0.00317806/step, 2.56098 hours remaining, 237.375000 MB of memory in use. ENERGY: 2099000 4059.6676 20418.0077 14543.5147 256.2437 -203464.0231 2884.7072 0.0000 0.0000 51724.7940 -109577.0882 297.2631 -161301.8821 -109212.1119 298.5255 -16.2330 14.4762 760067.1872 10.1220 10.3075 PRESSURE: 2099200 8.69389 78.3257 -70.1762 78.3257 -19.523 52.5491 -70.1743 52.5478 -375.536 GPRESSURE: 2099200 61.0766 62.1561 10.5808 101.159 -3.10826 160.441 -162.263 122.664 -362.103 PRESSAVG: 2099200 -12.7344 -11.5855 -18.7638 -11.5854 -18.498 20.885 -18.7638 20.8851 -4.17209 GPRESSAVG: 2099200 -14.5225 -10.5933 -19.7738 -12.2973 -17.787 20.2246 -19.0988 23.0165 -2.99289 TIMING: 2099200 CPU: 6635.14, 0.00314029/step Wall: 6635.14, 0.00314029/step, 2.53037 hours remaining, 237.375000 MB of memory in use. ENERGY: 2099200 4012.5119 20593.3457 14493.8803 236.5360 -203534.8992 2705.0798 0.0000 0.0000 51905.3713 -109588.1742 298.3009 -161493.5456 -109226.0581 298.7930 -128.7883 -101.3781 760892.5074 -11.8015 -11.7675 PRESSURE: 2099400 197.193 -33.4416 -168.74 -33.4406 176.387 258.211 -168.741 258.212 133.378 GPRESSURE: 2099400 230.254 -192.672 -66.3774 -16.2726 163.446 269.735 -44.4009 221.711 212.304 PRESSAVG: 2099400 19.6473 -1.92104 -24.8918 -1.92101 -25.3211 25.3384 -24.8919 25.3383 10.686 GPRESSAVG: 2099400 20.7645 -5.28728 -23.7467 -0.223352 -24.8102 26.9576 -23.5446 22.6832 9.35177 TIMING: 2099400 CPU: 6635.77, 0.00315092/step Wall: 6635.77, 0.00315092/step, 2.53876 hours remaining, 237.375000 MB of memory in use. ENERGY: 2099400 4023.5394 20568.7958 14439.1284 246.7848 -202907.6343 2394.9225 0.0000 0.0000 51930.9507 -109303.5127 298.4479 -161234.4634 -108939.3879 298.9283 168.9860 202.0010 762526.9103 1.6707 1.7687 PRESSURE: 2099600 -155.347 10.591 71.5362 10.5904 -157.022 56.7226 71.5349 56.7233 -354.846 GPRESSURE: 2099600 -55.5308 29.518 -0.803523 63.2729 -82.2755 58.831 125.994 0.224566 -457.256 PRESSAVG: 2099600 -14.0146 -16.6385 2.24572 -16.6385 12.0558 -17.1686 2.2457 -17.1686 17.8291 GPRESSAVG: 2099600 -13.3171 -13.1682 1.88585 -18.3574 11.6043 -20.4582 0.925461 -16.1299 17.3324 TIMING: 2099600 CPU: 6636.4, 0.00315625/step Wall: 6636.4, 0.00315625/step, 2.54288 hours remaining, 237.375000 MB of memory in use. ENERGY: 2099600 4110.6331 20585.6759 14464.2825 252.1725 -203510.5219 2466.9349 0.0000 0.0000 52388.6429 -109242.1802 301.0783 -161630.8231 -108880.8098 298.8617 -222.4049 -198.3539 762018.9078 5.2901 5.2065 PRESSURE: 2099800 407.051 -1.10955 86.9411 -1.11068 6.8737 167.929 86.9414 167.929 385.968 GPRESSURE: 2099800 415.348 57.5994 188.111 68.5615 121.628 130.443 -122.83 99.3841 345.122 PRESSAVG: 2099800 -4.60018 -11.9831 17.6204 -11.9831 -15.2987 11.1246 17.6204 11.1246 9.9427 GPRESSAVG: 2099800 -4.31878 -12.9481 17.1317 -9.69583 -15.4317 11.6761 16.8522 12.1056 9.72346 TIMING: 2099800 CPU: 6637.03, 0.00314877/step Wall: 6637.03, 0.00314877/step, 2.53668 hours remaining, 237.375000 MB of memory in use. ENERGY: 2099800 4038.0941 20538.0762 14464.6781 236.0255 -203716.1532 2826.3036 0.0000 0.0000 52199.2068 -109413.7690 299.9896 -161612.9758 -109050.7405 299.1678 266.6309 294.0326 759074.6588 -3.3187 -3.3423 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2100000 WRITING COORDINATES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2100000 -81.7893 155.835 52.1443 155.834 193.186 252.846 52.1442 252.845 409.113 GPRESSURE: 2100000 -62.3285 58.0454 74.4583 37.397 284.508 217.103 12.0796 211.163 381.963 PRESSAVG: 2100000 -24.1912 38.6891 30.1771 38.6891 31.2444 25.9889 30.1771 25.9889 -0.937846 GPRESSAVG: 2100000 -24.7014 40.0224 28.5547 37.1217 33.3329 27.3263 32.5098 24.0368 -2.16608 TIMING: 2100000 CPU: 6637.68, 0.00323313/step Wall: 6637.68, 0.00323313/step, 2.60446 hours remaining, 237.500000 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: 2100000 4116.8936 20470.2928 14507.5068 248.4263 -203817.5464 3076.7627 0.0000 0.0000 52181.9100 -109215.7542 299.8902 -161397.6641 -108864.9359 299.2681 173.5030 201.3808 759567.8142 2.0384 2.1551 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING VELOCITIES TO RESTART FILE AT STEP 2100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2100200 16.9892 180.657 88.8534 180.657 -114.352 -80.0042 88.8531 -80.0046 -65.3512 GPRESSURE: 2100200 23.47 131.89 52.5225 53.9206 -25.9067 -20.7185 10.4683 -84.3938 -61.7591 PRESSAVG: 2100200 -20.987 -24.0399 70.6062 -24.0399 23.7085 40.7798 70.6063 40.7798 -3.43214 GPRESSAVG: 2100200 -20.5767 -27.6689 71.7644 -24.1781 21.2078 41.516 70.2549 39.7927 -1.3505 TIMING: 2100200 CPU: 6638.32, 0.00319217/step Wall: 6638.32, 0.00319217/step, 2.57129 hours remaining, 237.500000 MB of memory in use. ENERGY: 2100200 4015.1476 20418.9077 14555.8255 237.9968 -203419.3612 2698.1077 0.0000 0.0000 52269.2932 -109224.0827 300.3923 -161493.3760 -108865.7342 299.9389 -54.2381 -21.3986 762469.0823 -0.2369 -0.2398 LDB: ============= START OF LOAD BALANCING ============== 6650.85 LDB: ============== END OF LOAD BALANCING =============== 6650.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6650.85 LDB: ============= START OF LOAD BALANCING ============== 6651.16 LDB: Largest compute 7060 load 0.030700 is 15.7% of average load 0.195444 LDB: Average compute 0.004378 is 2.2% of average load 0.195444 LDB: TIME 6651.17 LOAD: AVG 0.195444 MAX 0.213885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 6651.17 LOAD: AVG 0.195444 MAX 0.213885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 6651.17 LOAD: AVG 0.195444 MAX 0.213885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 6651.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6651.18 PRESSURE: 2100400 -293.455 -106.157 -203.27 -106.156 -334.026 -78.8716 -203.27 -78.8723 76.785 GPRESSURE: 2100400 -214.455 -21.1495 -195.417 -212.108 -302.638 -159.468 -167.431 -27.0709 41.4856 PRESSAVG: 2100400 -23.3686 -38.947 34.3937 -38.947 40.1843 32.6828 34.3938 32.6828 -1.8606 GPRESSAVG: 2100400 -23.0611 -38.3115 34.2366 -37.4553 40.8032 31.4597 32.9179 36.4144 -2.9617 TIMING: 2100400 CPU: 6638.96, 0.00321614/step Wall: 6638.96, 0.00321614/step, 2.59042 hours remaining, 235.871094 MB of memory in use. ENERGY: 2100400 3992.7581 20531.2667 14503.3555 240.1143 -203246.1898 2534.7438 0.0000 0.0000 52112.2491 -109331.7025 299.4898 -161443.9515 -108966.3947 299.4365 -183.5655 -158.5358 761678.0227 4.9850 4.9268 PRESSURE: 2100600 14.6264 -88.4767 -103.991 -88.4772 -252.779 106.564 -103.99 106.564 255.137 GPRESSURE: 2100600 92.3312 -150.377 -95.3317 -76.4381 -282.542 -34.2952 -45.7621 83.0775 287.514 PRESSAVG: 2100600 27.5009 -55.6386 29.8621 -55.6386 -19.3115 15.6989 29.8622 15.6988 5.45698 GPRESSAVG: 2100600 26.6996 -54.8325 29.3677 -55.2907 -18.5282 16.5659 30.8607 13.9286 5.82025 TIMING: 2100600 CPU: 6639.59, 0.00314979/step Wall: 6639.59, 0.00314979/step, 2.53681 hours remaining, 235.871094 MB of memory in use. ENERGY: 2100600 3999.9576 20429.7632 14465.4461 250.1610 -203415.3873 2936.4073 0.0000 0.0000 51991.7684 -109341.8837 298.7974 -161333.6521 -108982.4887 298.7782 5.6614 32.4344 760952.2137 4.5488 4.6639 PRESSURE: 2100800 48.5348 -53.3186 -67.7195 -53.3186 142.958 -107.894 -67.7192 -107.894 -109.986 GPRESSURE: 2100800 -8.54182 -119.524 -89.3348 -83.7394 186.839 -54.1189 -9.57796 -77.3459 -7.8607 PRESSAVG: 2100800 26.101 -85.457 23.2063 -85.4571 -34.395 32.1595 23.2062 32.1595 2.80114 GPRESSAVG: 2100800 25.774 -84.4011 24.5472 -85.0055 -34.143 32.9012 23.1835 32.8163 3.54017 TIMING: 2100800 CPU: 6640.22, 0.00316605/step Wall: 6640.22, 0.00316605/step, 2.54973 hours remaining, 235.871094 MB of memory in use. ENERGY: 2100800 3993.4141 20709.9275 14434.1031 250.3952 -202854.6565 2459.2833 0.0000 0.0000 52011.2911 -108996.2422 298.9096 -161007.5334 -108639.3987 299.4218 27.1689 56.8122 761914.6675 -1.8309 -1.6096 PRESSURE: 2101000 187.453 -240.907 80.2294 -240.907 -181.538 -184.898 80.2291 -184.898 -435.123 GPRESSURE: 2101000 189.566 -264.179 119.896 -147.365 -141.573 -232.626 112.298 -175.377 -394.914 PRESSAVG: 2101000 37.6979 -83.8441 62.8794 -83.8441 -15.6225 -36.7536 62.8794 -36.7535 5.28204 GPRESSAVG: 2101000 38.1369 -85.9684 64.2671 -85.1419 -16.2752 -38.7956 61.7741 -37.7741 5.56791 TIMING: 2101000 CPU: 6640.85, 0.00315059/step Wall: 6640.85, 0.00315059/step, 2.5371 hours remaining, 235.871094 MB of memory in use. ENERGY: 2101000 3955.2935 20605.9394 14484.2483 232.1836 -203192.6022 2621.8327 0.0000 0.0000 52292.1838 -109000.9208 300.5239 -161293.1046 -108635.5148 300.3870 -143.0693 -115.6399 761333.8602 9.1191 9.1432 PRESSURE: 2101200 126.826 -284.813 30.7041 -284.812 144.585 44.9493 30.7042 44.95 373.742 GPRESSURE: 2101200 131.258 -236.724 78.8399 -207.505 226.578 138.572 -78.5553 -0.435237 383.372 PRESSAVG: 2101200 -2.81039 -50.8776 17.9546 -50.8776 4.15951 -39.7385 17.9546 -39.7384 -9.08373 GPRESSAVG: 2101200 -2.66785 -50.6474 16.2164 -48.5912 4.32541 -36.9443 19.3832 -37.0043 -8.83465 TIMING: 2101200 CPU: 6641.48, 0.00314174/step Wall: 6641.48, 0.00314174/step, 2.5298 hours remaining, 235.871094 MB of memory in use. ENERGY: 2101200 3934.9089 20515.9256 14459.6283 260.4799 -203321.3918 2849.7683 0.0000 0.0000 52077.0640 -109223.6168 299.2876 -161300.6808 -108865.6781 299.7614 215.0510 247.0693 760821.1157 -2.5782 -2.3924 PRESSURE: 2101400 107.731 277.185 29.5587 277.183 442.582 -158.972 29.5585 -158.971 105.756 GPRESSURE: 2101400 230.263 262.929 -3.63841 167.615 377.736 -222.478 -38.6319 -9.31295 155.302 PRESSAVG: 2101400 -28.3244 -44.1208 8.48273 -44.1209 24.6422 -27.0715 8.48277 -27.0716 -9.36135 GPRESSAVG: 2101400 -27.3953 -44.2545 9.6634 -45.473 24.5874 -26.6191 8.35133 -29.4785 -10.0928 TIMING: 2101400 CPU: 6642.11, 0.0031475/step Wall: 6642.11, 0.0031475/step, 2.53426 hours remaining, 235.871094 MB of memory in use. ENERGY: 2101400 3987.6185 20464.0974 14491.3218 238.1253 -203148.1847 2620.3650 0.0000 0.0000 52215.6886 -109130.9682 300.0843 -161346.6567 -108764.8038 299.5623 218.6898 254.4337 761587.2345 -4.3478 -4.3002 PRESSURE: 2101600 -271.96 -71.7373 50.0069 -71.7378 -56.9215 44.6178 50.0073 44.6173 -110.333 GPRESSURE: 2101600 -216.08 44.0691 28.8159 40.4067 -72.4108 22.7379 121.966 110.961 -88.6944 PRESSAVG: 2101600 -2.837 -68.0526 -6.68484 -68.0526 -15.8085 -33.9055 -6.68484 -33.9054 1.4089 GPRESSAVG: 2101600 -3.23477 -65.9156 -7.56411 -67.9114 -15.3609 -36.8595 -7.86925 -31.4736 1.21373 TIMING: 2101600 CPU: 6642.74, 0.00315331/step Wall: 6642.74, 0.00315331/step, 2.53877 hours remaining, 235.871094 MB of memory in use. ENERGY: 2101600 3956.1774 20479.7175 14456.1120 280.0302 -203265.9741 2621.9678 0.0000 0.0000 52435.1319 -109036.8373 301.3454 -161471.9692 -108685.4480 299.8281 -146.4049 -125.7285 762714.6249 -5.7455 -5.7940 PRESSURE: 2101800 -297.276 77.7276 115.521 77.7278 346.546 31.0378 115.522 31.0384 -84.1311 GPRESSURE: 2101800 -273.093 -56.5939 69.9548 83.5739 372.243 60.9436 129.31 51.1272 -48.2815 PRESSAVG: 2101800 -26.7282 -26.704 25.5028 -26.704 47.8089 -9.48782 25.5028 -9.48788 12.4776 GPRESSAVG: 2101800 -27.4371 -26.0714 26.0129 -25.5982 47.1284 -8.37269 26.8205 -11.7138 13.8598 TIMING: 2101800 CPU: 6643.37, 0.00314814/step Wall: 6643.37, 0.00314814/step, 2.53443 hours remaining, 235.871094 MB of memory in use. ENERGY: 2101800 3970.5491 20334.6426 14479.4381 249.0604 -203105.2241 2568.3152 0.0000 0.0000 52369.3229 -109133.8958 300.9672 -161503.2188 -108760.6964 299.9210 -11.6203 16.9564 762903.5447 11.1861 11.1837 PRESSURE: 2102000 -70.392 112.886 -57.688 112.886 -151.006 -10.0349 -57.6877 -10.034 163.623 GPRESSURE: 2102000 -98.4166 148.498 -92.029 -40.6988 -29.5809 3.92348 8.49279 -74.749 147.026 PRESSAVG: 2102000 23.3133 4.74945 3.26162 4.74943 -9.60106 -12.0517 3.26159 -12.0517 23.7597 GPRESSAVG: 2102000 23.4273 2.95513 3.10094 3.14876 -8.77142 -13.1507 3.1854 -12.4695 23.0236 TIMING: 2102000 CPU: 6644, 0.00315482/step Wall: 6644, 0.00315482/step, 2.53963 hours remaining, 235.871094 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: 2102000 4020.0532 20585.0938 14514.6136 260.8511 -203240.0434 2738.9309 0.0000 0.0000 51939.3314 -109181.1694 298.4961 -161120.5008 -108825.1553 299.6161 -19.2584 6.3427 763633.5946 12.4906 12.5598 PRESSURE: 2102200 -166.445 169.441 -9.59346 169.441 -33.8355 13.5911 -9.5932 13.5916 42.2737 GPRESSURE: 2102200 -58.4055 186.4 -81.4262 200.233 -37.0086 111.445 -1.48454 42.9965 15.6093 PRESSAVG: 2102200 13.6802 55.0124 -38.4695 55.0124 -0.53769 8.7254 -38.4695 8.72539 -7.81375 GPRESSAVG: 2102200 13.7343 56.2601 -38.8554 54.9034 -1.17197 9.35323 -36.4501 9.70579 -7.49548 TIMING: 2102200 CPU: 6644.63, 0.00315203/step Wall: 6644.63, 0.00315203/step, 2.53721 hours remaining, 235.871094 MB of memory in use. ENERGY: 2102200 3882.7619 20616.4285 14443.7096 247.4904 -203338.4236 2778.2387 0.0000 0.0000 52400.9840 -108968.8103 301.1492 -161369.7944 -108605.8263 299.7200 -52.6689 -26.6016 762146.8074 1.7763 1.6889 PRESSURE: 2102400 162.69 10.4198 -80.7606 10.4198 312.41 216.719 -80.7603 216.719 -507.451 GPRESSURE: 2102400 112.883 -22.7568 -97.1685 40.4483 366.341 125.485 -169.897 -79.0851 -422.967 PRESSAVG: 2102400 -8.95163 -9.81761 31.131 -9.81766 23.5433 4.89224 31.1311 4.89227 7.83335 GPRESSAVG: 2102400 -8.03879 -11.0691 29.796 -10.3442 22.9361 3.93936 29.1302 4.95096 7.13923 TIMING: 2102400 CPU: 6645.26, 0.00315514/step Wall: 6645.26, 0.00315514/step, 2.53954 hours remaining, 235.871094 MB of memory in use. ENERGY: 2102400 4076.2053 20497.0074 14437.5509 231.5421 -202920.0845 2654.9318 0.0000 0.0000 52227.2000 -108795.6469 300.1504 -161022.8469 -108430.3024 300.8510 -10.7839 18.7523 760260.7766 7.4750 7.3455 PRESSURE: 2102600 18.1679 -28.5291 142.059 -28.5291 -28.2015 -340.308 142.059 -340.31 41.6645 GPRESSURE: 2102600 53.1349 -30.6742 163.401 -10.7736 41.0961 -327.227 76.2117 -168.814 25.9303 PRESSAVG: 2102600 -17.3183 -39.0915 19.1168 -39.0914 5.50268 24.6966 19.1168 24.6966 13.816 GPRESSAVG: 2102600 -17.4525 -36.5056 19.772 -38.2845 6.26145 25.3085 21.146 25.3713 13.2819 TIMING: 2102600 CPU: 6645.9, 0.00316378/step Wall: 6645.9, 0.00316378/step, 2.54631 hours remaining, 235.871094 MB of memory in use. ENERGY: 2102600 4068.6045 20503.9825 14463.4373 253.7532 -203221.9331 2783.0141 0.0000 0.0000 52153.4636 -108995.6778 299.7267 -161149.1415 -108633.9579 300.4732 10.5436 40.0538 761051.1331 0.6668 0.6969 PRESSURE: 2102800 -394.978 0.65832 152.805 0.658358 45.2407 -105.373 152.804 -105.373 -523.567 GPRESSURE: 2102800 -350.579 -107.43 139.076 -18.0902 93.0627 -78.8748 149.699 58.0317 -534.823 PRESSAVG: 2102800 -33.4482 -22.6155 58.2074 -22.6155 -2.88759 -9.22915 58.2074 -9.22909 -24.2952 GPRESSAVG: 2102800 -33.7682 -24.4936 59.366 -21.6276 -4.00174 -9.78643 55.3905 -9.81856 -22.626 TIMING: 2102800 CPU: 6646.53, 0.00316006/step Wall: 6646.53, 0.00316006/step, 2.54315 hours remaining, 235.871094 MB of memory in use. ENERGY: 2102800 4037.0191 20560.9283 14445.4785 234.1611 -202722.4574 2414.0093 0.0000 0.0000 51953.5854 -109077.2757 298.5780 -161030.8611 -108715.6658 300.1929 -291.1014 -264.1129 761642.9584 -20.2103 -20.1320 PRESSURE: 2103000 -149.066 110.826 -220.94 110.826 -56.2213 267.052 -220.94 267.052 70.9819 GPRESSURE: 2103000 -47.3279 -22.5109 -249.057 168.03 -69.1592 166.482 -211.09 196.129 73.6942 PRESSAVG: 2103000 6.36175 4.59899 5.32994 4.59896 -20.0073 -6.82078 5.32987 -6.82079 5.78373 GPRESSAVG: 2103000 6.85664 3.86496 5.26985 3.57602 -20.2497 -7.04117 4.94176 -5.98508 5.64403 TIMING: 2103000 CPU: 6647.16, 0.00316077/step Wall: 6647.16, 0.00316077/step, 2.54354 hours remaining, 235.871094 MB of memory in use. ENERGY: 2103000 3993.4679 20543.7882 14433.5508 242.6025 -203042.0804 2652.1577 0.0000 0.0000 52005.5387 -109170.9745 298.8765 -161176.5133 -108807.1750 299.8605 -44.7684 -14.2643 762960.4974 -2.6206 -2.5830 PRESSURE: 2103200 -228.816 -127.662 193.449 -127.663 -168.335 -175.778 193.448 -175.776 291.637 GPRESSURE: 2103200 -239.007 -116.076 222.5 -110.58 -136.861 -242.323 171.474 -84.0932 338.528 PRESSAVG: 2103200 -11.6593 -30.9261 -30.8346 -30.9261 35.3588 -12.1115 -30.8346 -12.1115 -6.633 GPRESSAVG: 2103200 -12.4964 -30.1954 -31.269 -28.4433 35.6433 -11.9001 -31.1044 -12.7259 -6.38547 TIMING: 2103200 CPU: 6647.79, 0.00314221/step Wall: 6647.79, 0.00314221/step, 2.52843 hours remaining, 235.871094 MB of memory in use. ENERGY: 2103200 3921.4369 20450.4206 14452.6952 235.3661 -203110.2547 2627.7107 0.0000 0.0000 52213.2078 -109209.4174 300.0700 -161422.6251 -108857.7098 299.5874 -35.1712 -12.4464 762679.4735 5.6888 5.5871 PRESSURE: 2103400 -121.966 -97.6375 -255.509 -97.6375 -106.285 -158.133 -255.508 -158.133 194.188 GPRESSURE: 2103400 -148.623 1.57546 -402.893 -139.346 -88.6918 -173.703 -362.331 -138.271 268.891 PRESSAVG: 2103400 -10.4576 -56.9927 -10.164 -56.9927 -15.5586 -52.7599 -10.1641 -52.7598 18.0894 GPRESSAVG: 2103400 -10.2194 -56.5603 -11.6442 -57.1237 -14.8862 -52.4982 -6.22206 -52.3265 17.1472 TIMING: 2103400 CPU: 6648.42, 0.00313709/step Wall: 6648.42, 0.00313709/step, 2.52414 hours remaining, 235.871094 MB of memory in use. ENERGY: 2103400 3997.4695 20631.9190 14439.8886 227.9242 -203323.6289 2786.9100 0.0000 0.0000 52232.7685 -109006.7491 300.1824 -161239.5177 -108644.1259 300.1552 -11.3545 10.5252 762972.1234 -2.6422 -2.6528 PRESSURE: 2103600 -182.654 -8.51054 -208.511 -8.51077 22.0818 56.5154 -208.511 56.5167 -78.6161 GPRESSURE: 2103600 -153.37 -56.4798 -231.247 16.6544 92.6059 48.8773 -75.5026 40.732 -102.631 PRESSAVG: 2103600 -2.29837 -64.5268 -22.9765 -64.5268 34.448 15.2491 -22.9765 15.2491 9.87146 GPRESSAVG: 2103600 -3.09108 -64.099 -22.5869 -67.4512 35.0192 18.8638 -23.5666 13.9816 9.44153 TIMING: 2103600 CPU: 6649.04, 0.00314403/step Wall: 6649.04, 0.00314403/step, 2.52955 hours remaining, 235.871094 MB of memory in use. ENERGY: 2103600 3974.0493 20662.7149 14405.0373 249.5700 -203388.2066 2525.8596 0.0000 0.0000 52377.6644 -109193.3112 301.0152 -161570.9755 -108833.3299 300.1041 -79.7296 -54.4653 760863.5980 14.0070 13.7899 PRESSURE: 2103800 47.6987 99.1945 -124.281 99.195 121.239 254.254 -124.28 254.252 -141.83 GPRESSURE: 2103800 89.1434 -18.2106 -130.016 97.633 168.348 120.836 -101.218 213.233 -157.786 PRESSAVG: 2103800 -19.4339 -28.6042 0.231841 -28.6042 15.2991 3.42956 0.231813 3.42956 14.609 GPRESSAVG: 2103800 -19.1928 -28.6179 1.15531 -28.0598 15.0171 -0.0494699 -1.18468 3.49792 14.246 TIMING: 2103800 CPU: 6649.67, 0.00314953/step Wall: 6649.67, 0.00314953/step, 2.5338 hours remaining, 235.871094 MB of memory in use. ENERGY: 2103800 3994.8410 20543.6698 14516.9782 244.7567 -203169.3821 2621.2709 0.0000 0.0000 52008.0743 -109239.7913 298.8911 -161247.8656 -108866.5948 299.7739 9.0357 33.2350 761772.6732 3.4914 3.3568 PRESSURE: 2104000 329.669 -105.836 53.0146 -105.836 -71.2566 54.6725 53.0151 54.6726 669.679 GPRESSURE: 2104000 346.32 -165.591 52.7747 -71.6703 -21.2864 65.9907 -15.9048 -31.5728 680.579 PRESSAVG: 2104000 67.174 -13.4259 22.4194 -13.426 -65.9575 51.9875 22.4194 51.9875 -0.891148 GPRESSAVG: 2104000 66.3369 -13.1673 21.6123 -13.453 -65.19 52.9824 21.5372 52.627 -0.745183 TIMING: 2104000 CPU: 6650.3, 0.00313767/step Wall: 6650.3, 0.00313767/step, 2.52408 hours remaining, 235.871094 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: 2104000 3971.5764 20336.2417 14550.8319 257.6167 -203269.9371 2684.7031 0.0000 0.0000 52004.6747 -109464.2926 298.8716 -161468.9672 -109099.8524 298.8316 309.3640 335.2041 762270.6616 0.1084 0.1339 PRESSURE: 2104200 23.0509 50.8393 260.539 50.8393 -150.001 -192.291 260.539 -192.292 -322.971 GPRESSURE: 2104200 134.481 -19.9407 163.367 118.809 -201.02 -160.135 382.168 -130.077 -295.396 PRESSAVG: 2104200 33.6043 -65.1361 22.2722 -65.1361 -3.35457 -15.6888 22.2722 -15.6889 20.7097 GPRESSAVG: 2104200 35.5972 -65.6169 23.034 -65.9003 -6.05745 -16.1466 22.7033 -14.9339 21.172 TIMING: 2104200 CPU: 6650.93, 0.00314057/step Wall: 6650.93, 0.00314057/step, 2.52624 hours remaining, 235.871094 MB of memory in use. ENERGY: 2104200 3967.0479 20551.6037 14449.6308 249.4215 -203111.6675 2585.6449 0.0000 0.0000 52026.9720 -109281.3466 298.9997 -161308.3187 -108913.9324 299.4365 -149.9735 -120.6453 762601.3172 16.9865 16.9039 LDB: ============= START OF LOAD BALANCING ============== 6663.46 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6663.46 LDB: =============== DONE WITH MIGRATION ================ 6663.46 LDB: ============= START OF LOAD BALANCING ============== 6663.78 LDB: Largest compute 7060 load 0.030233 is 15.5% of average load 0.195470 LDB: Average compute 0.004385 is 2.2% of average load 0.195470 LDB: TIME 6663.78 LOAD: AVG 0.19547 MAX 0.214916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.191 MB LDB: TIME 6663.78 LOAD: AVG 0.19547 MAX 0.214916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.289 MB LDB: TIME 6663.78 LOAD: AVG 0.19547 MAX 0.214916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.289 MB LDB: ============== END OF LOAD BALANCING =============== 6663.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6663.79 PRESSURE: 2104400 249.667 -164.579 -198.879 -164.579 -40.5832 319.816 -198.879 319.817 -65.8607 GPRESSURE: 2104400 232.507 -84.5408 -201.075 -131.102 -13.9787 239.559 -189.882 287.311 -1.0202 PRESSAVG: 2104400 18.7912 -29.0933 59.4808 -29.0933 0.8831 -6.3933 59.4807 -6.39324 -11.8232 GPRESSAVG: 2104400 17.2387 -28.7097 57.6057 -28.3382 1.53372 -5.15184 61.8706 -6.6715 -11.0144 TIMING: 2104400 CPU: 6651.57, 0.00320171/step Wall: 6651.57, 0.00320171/step, 2.57524 hours remaining, 234.937500 MB of memory in use. ENERGY: 2104400 3992.7696 20582.7399 14534.4520 247.8753 -203160.3680 2492.4538 0.0000 0.0000 52163.2218 -109146.8556 299.7828 -161310.0774 -108787.8779 299.4979 47.7411 72.5028 762004.7878 2.6170 2.5860 PRESSURE: 2104600 -30.5352 18.8988 209.508 18.8986 -74.0495 128.706 209.508 128.706 -479.025 GPRESSURE: 2104600 18.5867 26.6762 188.885 5.8532 -16.685 54.0989 167.246 156.399 -494.859 PRESSAVG: 2104600 55.3224 -84.9448 58.0135 -84.9448 -53.351 13.0661 58.0135 13.0661 0.243287 GPRESSAVG: 2104600 55.4021 -85.3773 60.6191 -86.2019 -52.6337 11.8095 55.9967 14.632 -0.544611 TIMING: 2104600 CPU: 6652.2, 0.00316243/step Wall: 6652.2, 0.00316243/step, 2.54347 hours remaining, 234.937500 MB of memory in use. ENERGY: 2104600 3977.9305 20480.0360 14464.5577 253.0192 -203136.9114 2698.6645 0.0000 0.0000 52259.9375 -109002.7660 300.3386 -161262.7036 -108634.2612 300.3394 -194.5364 -164.3192 762697.1174 0.7382 0.7412 PRESSURE: 2104800 98.6253 -48.856 262.884 -48.8553 -265.048 -127.246 262.885 -127.246 7.11619 GPRESSURE: 2104800 107.872 -85.9389 302.109 -17.5014 -236.443 -134.052 243.697 -132.989 58.2706 PRESSAVG: 2104800 78.0229 3.16501 48.5736 3.165 -59.5486 -7.30651 48.5736 -7.30655 22.687 GPRESSAVG: 2104800 78.7149 2.99274 45.8563 4.106 -59.4105 -7.11512 47.2717 -8.79545 21.7302 TIMING: 2104800 CPU: 6652.83, 0.00314061/step Wall: 6652.83, 0.00314061/step, 2.52575 hours remaining, 235.140625 MB of memory in use. ENERGY: 2104800 3928.5614 20641.1566 14477.5262 260.2195 -203356.0704 2824.4541 0.0000 0.0000 52163.0959 -109061.0567 299.7820 -161224.1526 -108703.7725 300.2524 -53.1022 -23.4337 762684.4933 13.7204 13.6782 PRESSURE: 2105000 -211.639 -176.812 292.92 -176.812 -15.8202 -108.543 292.92 -108.542 -440.941 GPRESSURE: 2105000 -157.329 -99.3436 284.513 -225.325 10.0653 -45.8121 344.764 -94.7776 -439.451 PRESSAVG: 2105000 12.5798 -50.1657 44.2789 -50.1656 -21.0386 -13.0439 44.2789 -13.044 -30.6748 GPRESSAVG: 2105000 11.6213 -50.6604 46.5114 -50.8807 -19.44 -10.1814 45.2462 -13.3404 -31.6249 TIMING: 2105000 CPU: 6653.46, 0.00314183/step Wall: 6653.46, 0.00314183/step, 2.52655 hours remaining, 235.140625 MB of memory in use. ENERGY: 2105000 3952.1055 20484.2703 14463.9788 248.6499 -202930.0159 2377.2553 0.0000 0.0000 52176.4144 -109227.3417 299.8586 -161403.7562 -108848.2673 299.6914 -222.8000 -195.5718 764356.1548 -13.0445 -13.1478 PRESSURE: 2105200 104.034 10.848 -29.8363 10.8477 -284.334 -32.5381 -29.8368 -32.5378 -374.967 GPRESSURE: 2105200 100.463 42.8942 -102.817 48.5402 -234.63 -7.30246 27.5625 14.5603 -342.554 PRESSAVG: 2105200 4.33284 -22.1123 2.2861 -22.1122 -17.1894 -12.2821 2.28608 -12.282 -20.2435 GPRESSAVG: 2105200 3.49697 -22.8651 1.74897 -20.8346 -17.7937 -13.9084 0.583679 -11.3992 -19.0046 TIMING: 2105200 CPU: 6654.09, 0.00314231/step Wall: 6654.09, 0.00314231/step, 2.52677 hours remaining, 235.210938 MB of memory in use. ENERGY: 2105200 4056.2472 20643.0848 14447.8562 252.4972 -203199.0371 2639.7356 0.0000 0.0000 51883.2407 -109276.3753 298.1737 -161159.6161 -108925.1306 299.6612 -185.0890 -158.9068 761545.8650 -11.0334 -11.1004 PRESSURE: 2105400 -342.714 115.517 132.656 115.517 -281.28 75.0446 132.657 75.046 -339.103 GPRESSURE: 2105400 -298.358 88.6996 193.49 -6.13675 -255.468 73.928 225.767 -21.7708 -325.882 PRESSAVG: 2105400 40.2232 15.8635 17.2258 15.8635 -45.1029 3.78349 17.2258 3.78348 15.3666 GPRESSAVG: 2105400 39.5887 14.8221 16.3549 15.5801 -45.5624 3.38026 19.2051 2.7177 15.4755 TIMING: 2105400 CPU: 6654.71, 0.00312536/step Wall: 6654.71, 0.00312536/step, 2.51297 hours remaining, 235.210938 MB of memory in use. ENERGY: 2105400 4054.8693 20557.2614 14482.0398 254.9979 -203039.7939 2386.8887 0.0000 0.0000 52249.0586 -109054.6783 300.2761 -161303.7369 -108694.1771 299.9244 -321.0321 -293.2362 762205.3044 3.4956 3.1673 PRESSURE: 2105600 -241.6 74.2258 272.816 74.2249 -369.251 -210.522 272.816 -210.522 44.6764 GPRESSURE: 2105600 -198.313 116.939 280.155 219.436 -374.375 -204.771 218.858 -277.79 91.124 PRESSAVG: 2105600 -3.87425 19.3512 45.5948 19.3513 -20.7309 -26.3662 45.5948 -26.3661 -5.9123 GPRESSAVG: 2105600 -3.38368 21.2148 46.0576 20.3588 -19.4801 -26.2332 44.7949 -26.7957 -7.96037 TIMING: 2105600 CPU: 6655.34, 0.00314662/step Wall: 6655.34, 0.00314662/step, 2.52988 hours remaining, 235.210938 MB of memory in use. ENERGY: 2105600 3996.5385 20684.5807 14455.4632 240.9067 -203078.2114 2508.5397 0.0000 0.0000 52097.4633 -109094.7193 299.4048 -161192.1826 -108738.7971 299.5871 -188.7248 -160.5213 763268.2251 -10.1725 -10.2747 PRESSURE: 2105800 -19.2647 -235.97 -48.1872 -235.971 245.031 138.448 -48.1866 138.448 -289.571 GPRESSURE: 2105800 14.9829 -192.868 -57.4167 -139.485 301.577 127.079 -45.8792 179.32 -297.158 PRESSAVG: 2105800 5.86723 -44.0735 14.8952 -44.0735 25.7971 -1.49171 14.8953 -1.49165 11.3452 GPRESSAVG: 2105800 6.13218 -44.4822 13.8097 -44.6914 25.2187 -0.830893 15.335 -1.07847 12.1661 TIMING: 2105800 CPU: 6655.97, 0.0031403/step Wall: 6655.97, 0.0031403/step, 2.52463 hours remaining, 235.210938 MB of memory in use. ENERGY: 2105800 3940.5522 20565.6976 14468.6775 270.6146 -203295.8023 2578.9209 0.0000 0.0000 52179.2115 -109292.1280 299.8746 -161471.3395 -108927.5156 299.3417 -21.2682 6.4672 762259.7364 14.3365 14.5057 PRESSURE: 2106000 -174.685 -56.7067 20.3437 -56.7075 -31.7942 -84.2774 20.3438 -84.2779 -24.3817 GPRESSURE: 2106000 -142.066 -165.043 -8.44294 32.046 5.04765 -22.3805 55.9327 -73.657 -18.8334 PRESSAVG: 2106000 -25.1598 -12.503 23.2277 -12.503 38.0973 4.17695 23.2276 4.17687 -9.49421 GPRESSAVG: 2106000 -24.7788 -13.364 23.5388 -13.5575 37.233 4.52713 23.9805 3.71156 -9.396 TIMING: 2106000 CPU: 6656.6, 0.00313205/step Wall: 6656.6, 0.00313205/step, 2.51782 hours remaining, 235.210938 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: 2106000 4001.4622 20607.3420 14488.9050 259.0849 -203124.2221 2588.8134 0.0000 0.0000 52251.8189 -108926.7957 300.2919 -161178.6146 -108569.6482 300.0879 -76.9535 -51.9506 761548.9873 1.1478 1.0194 PRESSURE: 2106200 -6.52925 134.042 -217.761 134.042 -35.8603 32.648 -217.761 32.6482 -28.7466 GPRESSURE: 2106200 88.3271 137.491 -183.241 43.6271 -36.0113 72.7917 -170.433 -25.1494 -29.7924 PRESSAVG: 2106200 40.8052 9.13423 -24.8791 9.13418 -19.9104 46.1177 -24.8791 46.1177 10.0279 GPRESSAVG: 2106200 40.5627 9.08371 -22.6616 9.27473 -19.876 44.6 -26.1417 46.2212 9.92537 TIMING: 2106200 CPU: 6657.22, 0.00314154/step Wall: 6657.22, 0.00314154/step, 2.52528 hours remaining, 235.210938 MB of memory in use. ENERGY: 2106200 4000.8279 20657.5735 14441.5073 263.4558 -203454.6250 2788.4976 0.0000 0.0000 52257.9923 -109044.7705 300.3274 -161302.7629 -108686.9979 300.1479 -23.7120 7.5078 762528.7834 10.3076 10.2040 PRESSURE: 2106400 -198.013 107.293 -19.0845 107.293 23.2111 103.09 -19.0841 103.089 134.211 GPRESSURE: 2106400 -148.789 54.0855 8.82405 87.5952 4.85524 40.5211 13.0851 28.1079 173.202 PRESSAVG: 2106400 25.5803 26.4902 -24.1391 26.4902 -38.7867 -23.5321 -24.1391 -23.532 10.3962 GPRESSAVG: 2106400 24.1188 27.272 -22.0742 24.7545 -39.2181 -24.6277 -24.9144 -23.5087 12.2422 TIMING: 2106400 CPU: 6657.85, 0.00313994/step Wall: 6657.85, 0.00313994/step, 2.52382 hours remaining, 235.210938 MB of memory in use. ENERGY: 2106400 4041.2942 20668.7278 14485.2029 234.0346 -203037.7798 2536.0257 0.0000 0.0000 52312.6946 -108759.8000 300.6418 -161072.4946 -108399.7118 300.0337 -13.5303 9.7561 763242.6915 -0.9368 -0.9524 PRESSURE: 2106600 -117.419 13.9279 58.6428 13.9283 200.962 -11.6495 58.6427 -11.6487 70.9068 GPRESSURE: 2106600 -81.1402 -63.9583 40.8423 -104.375 233.654 -28.7377 -45.7469 104.093 93.9783 PRESSAVG: 2106600 -45.8518 3.01651 -42.7282 3.01645 51.3583 -0.282383 -42.7282 -0.282461 38.8924 GPRESSAVG: 2106600 -44.5997 4.32351 -47.0088 1.65399 51.7076 1.99183 -41.809 -0.983499 37.6395 TIMING: 2106600 CPU: 6658.48, 0.00312779/step Wall: 6658.48, 0.00312779/step, 2.51387 hours remaining, 235.210938 MB of memory in use. ENERGY: 2106600 3955.9873 20647.6876 14447.4520 251.5213 -203244.7269 2702.8765 0.0000 0.0000 52223.1878 -109016.0144 300.1274 -161239.2022 -108654.6127 300.1118 51.4834 82.1642 762258.0619 14.7996 14.9158 PRESSURE: 2106800 129.029 -86.3418 -16.6147 -86.3429 216.225 -64.6603 -16.6146 -64.6606 13.0691 GPRESSURE: 2106800 61.9853 -28.3217 -91.943 -33.7641 320.566 -47.2126 -21.3729 -16.9887 48.6348 PRESSAVG: 2106800 -35.732 -38.1212 70.9409 -38.1212 -15.5299 3.72897 70.9409 3.72893 -6.19526 GPRESSAVG: 2106800 -36.3037 -39.0716 73.4699 -33.6487 -15.5101 3.30686 69.888 4.18987 -6.065 TIMING: 2106800 CPU: 6659.11, 0.00314016/step Wall: 6659.11, 0.00314016/step, 2.52364 hours remaining, 235.210938 MB of memory in use. ENERGY: 2106800 4045.4282 20707.4978 14486.4319 238.3372 -203238.2477 2750.2456 0.0000 0.0000 52059.3949 -108950.9119 299.1861 -161010.3068 -108592.0229 299.7292 119.4410 143.7286 764306.0385 -19.1524 -19.2929 PRESSURE: 2107000 -77.5614 253.113 -134.39 253.113 173.007 -226.629 -134.39 -226.629 222.677 GPRESSURE: 2107000 -72.5603 363.317 -106.701 285.067 215.396 -166.186 -9.25544 -239.863 259.831 PRESSAVG: 2107000 6.62145 -3.72329 -28.9795 -3.72336 2.95148 2.11108 -28.9796 2.11097 4.61676 GPRESSAVG: 2107000 7.22216 -1.91771 -30.8437 -5.35196 3.19557 3.02676 -26.3579 2.1463 3.75106 TIMING: 2107000 CPU: 6659.74, 0.00314512/step Wall: 6659.74, 0.00314512/step, 2.52746 hours remaining, 235.210938 MB of memory in use. ENERGY: 2107000 3956.4752 20614.6797 14499.4527 240.8371 -203374.6216 2970.5008 0.0000 0.0000 52173.1605 -108919.5156 299.8399 -161092.6761 -108555.9805 299.8906 106.0409 134.2222 763354.0760 4.7299 4.7229 PRESSURE: 2107200 -348.665 157.708 118.283 157.708 47.4928 -37.4202 118.282 -37.4198 -111.508 GPRESSURE: 2107200 -305.566 97.7516 114.276 245.696 1.81099 39.2609 109.891 125.274 -21.2481 PRESSAVG: 2107200 -0.577516 8.64867 22.3407 8.64862 11.1551 19.0712 22.3406 19.0711 1.32634 GPRESSAVG: 2107200 -1.2171 5.93212 22.8053 9.17115 11.5098 17.7629 20.8488 17.7231 1.62339 TIMING: 2107200 CPU: 6660.37, 0.00316759/step Wall: 6660.37, 0.00316759/step, 2.54533 hours remaining, 235.210938 MB of memory in use. ENERGY: 2107200 3931.0975 20557.1214 14538.6814 266.8279 -203092.3604 2519.6129 0.0000 0.0000 52055.7905 -109223.2288 299.1653 -161279.0193 -108860.8821 299.9628 -137.5603 -108.3344 764213.5461 3.9680 3.9720 PRESSURE: 2107400 -198.854 14.5664 -164.715 14.5663 121.869 32.1502 -164.715 32.1502 -469.928 GPRESSURE: 2107400 -132.287 56.0554 -208.46 -159.38 122.366 -9.84367 -177.081 114.904 -450.811 PRESSAVG: 2107400 -24.5242 -30.9337 1.48216 -30.9337 5.69976 23.6563 1.48219 23.6562 -10.9214 GPRESSAVG: 2107400 -24.1682 -30.5802 1.07569 -31.1858 5.87108 25.1605 0.886879 25.7171 -11.6827 TIMING: 2107400 CPU: 6661, 0.00316413/step Wall: 6661, 0.00316412/step, 2.54237 hours remaining, 235.210938 MB of memory in use. ENERGY: 2107400 3987.6519 20574.6872 14482.2610 248.7648 -203482.3365 2716.0604 0.0000 0.0000 52159.1376 -109313.7735 299.7593 -161472.9112 -108958.0085 299.1519 -182.3045 -153.5772 763225.8021 -9.9153 -9.9933 PRESSURE: 2107600 -371.73 -130.033 55.7525 -130.033 -372.429 162.211 55.7515 162.212 -37.7613 GPRESSURE: 2107600 -268.684 -92.9439 146.074 -107.187 -411.208 158.053 84.846 158.268 -13.9965 PRESSAVG: 2107600 16.0669 -34.4841 -1.82791 -34.4841 -41.8525 14.2107 -1.8279 14.2107 12.7831 GPRESSAVG: 2107600 16.7268 -35.1234 -2.56426 -34.1635 -41.8356 13.3891 -1.57167 14.4932 12.7774 TIMING: 2107600 CPU: 6661.63, 0.00315063/step Wall: 6661.63, 0.00315063/step, 2.53136 hours remaining, 235.210938 MB of memory in use. ENERGY: 2107600 4012.6847 20383.8571 14499.2078 238.4914 -203516.1390 2770.6262 0.0000 0.0000 52066.7553 -109544.5166 299.2284 -161611.2719 -109168.1898 299.0948 -260.6404 -231.2961 763647.7216 -4.3342 -4.1105 PRESSURE: 2107800 15.3853 152.441 50.5941 152.44 54.7204 160.267 50.5934 160.267 51.3719 GPRESSURE: 2107800 109.284 156.81 99.5453 115.502 46.0547 186.076 109.428 87.7133 58.7967 PRESSAVG: 2107800 13.2949 -0.879611 -33.0281 -0.879579 0.140305 26.3261 -33.0281 26.3261 -1.70472 GPRESSAVG: 2107800 13.5162 1.28689 -31.4479 -2.34266 -0.747638 27.3292 -32.5978 23.7253 -0.967541 TIMING: 2107800 CPU: 6662.26, 0.00313923/step Wall: 6662.26, 0.00313923/step, 2.52203 hours remaining, 235.210938 MB of memory in use. ENERGY: 2107800 3971.0768 20567.1201 14455.9138 250.2439 -203610.0891 2834.9252 0.0000 0.0000 51851.8783 -109678.9310 297.9935 -161530.8093 -109323.8632 298.6739 40.4925 71.3784 761033.1586 3.9102 3.9337 PRESSURE: 2108000 255.532 -128.825 -16.6175 -128.824 -79.6403 -233.948 -16.6188 -233.948 343.364 GPRESSURE: 2108000 268.73 -70.6923 -66.7359 -137.369 -97.7891 -282.259 1.46219 -219.893 421.551 PRESSAVG: 2108000 -8.65925 -21.3318 -20.5457 -21.3317 21.1581 -6.2903 -20.5456 -6.29037 22.7066 GPRESSAVG: 2108000 -8.79467 -21.4927 -20.9099 -21.3329 21.3053 -8.58455 -20.373 -2.85396 22.727 TIMING: 2108000 CPU: 6662.89, 0.003157/step Wall: 6662.89, 0.00315699/step, 2.53612 hours remaining, 235.210938 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: 2108000 3941.6226 20570.6564 14506.9957 233.7557 -203434.9022 2557.8935 0.0000 0.0000 51996.4577 -109627.5206 298.8244 -161623.9783 -109264.9898 298.4549 173.0852 197.4973 761347.6541 11.7352 11.7459 PRESSURE: 2108200 154.967 -131.805 26.704 -131.805 122.642 -142.442 26.7025 -142.44 -184.632 GPRESSURE: 2108200 162.842 -79.4836 -47.4437 -6.63551 194.148 -146.573 -7.04319 -156.117 -197.021 PRESSAVG: 2108200 29.6117 -14.796 2.64706 -14.7961 -4.90813 14.7068 2.64703 14.7068 -12.7354 GPRESSAVG: 2108200 27.8637 -14.351 0.69493 -13.1081 -3.36848 15.8971 -0.0219505 11.7398 -12.5067 TIMING: 2108200 CPU: 6663.52, 0.00315293/step Wall: 6663.52, 0.00315293/step, 2.53268 hours remaining, 235.210938 MB of memory in use. ENERGY: 2108200 4001.0795 20553.0322 14534.8354 248.2768 -202862.3126 2486.2968 0.0000 0.0000 51623.8482 -109414.9437 296.6830 -161038.7919 -109056.6487 298.6408 30.9924 53.3234 763372.5016 3.9894 3.9962 LDB: ============= START OF LOAD BALANCING ============== 6676.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6676.05 LDB: =============== DONE WITH MIGRATION ================ 6676.06 LDB: ============= START OF LOAD BALANCING ============== 6676.37 LDB: Largest compute 7026 load 0.030874 is 15.8% of average load 0.195390 LDB: Average compute 0.004409 is 2.3% of average load 0.195390 LDB: TIME 6676.37 LOAD: AVG 0.19539 MAX 0.21571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.777 MB LDB: TIME 6676.37 LOAD: AVG 0.19539 MAX 0.21571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: TIME 6676.37 LOAD: AVG 0.19539 MAX 0.21571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.844 MB LDB: ============== END OF LOAD BALANCING =============== 6676.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6676.38 PRESSURE: 2108400 76.6253 55.7507 -99.7433 55.7507 24.3661 138.068 -99.7431 138.068 328.449 GPRESSURE: 2108400 217.866 107.263 -190.393 149.538 1.12015 65.9444 -90.8591 132.253 284.762 PRESSAVG: 2108400 32.4666 -20.2165 -5.71316 -20.2165 -72.8309 -12.2797 -5.71308 -12.2797 -20.7174 GPRESSAVG: 2108400 34.0572 -21.7797 -5.67457 -20.483 -73.6325 -10.9613 -3.91642 -10.2718 -21.5555 TIMING: 2108400 CPU: 6664.16, 0.00321664/step Wall: 6664.16, 0.00321664/step, 2.58368 hours remaining, 236.992188 MB of memory in use. ENERGY: 2108400 3968.7689 20432.8614 14491.0161 254.2155 -203499.7261 2870.9241 0.0000 0.0000 51997.5420 -109484.3981 298.8306 -161481.9401 -109131.1959 299.1873 143.1469 167.9162 761247.1787 -20.3606 -20.3769 PRESSURE: 2108600 371.617 -338.33 -220.046 -338.329 83.952 -15.6158 -220.046 -15.6151 -17.6368 GPRESSURE: 2108600 428.912 -284.684 -215.387 -335.479 173.062 -121.617 -153.926 -34.3375 -79.1776 PRESSAVG: 2108600 63.1587 -47.074 -4.09363 -47.074 -42.9826 11.7712 -4.09359 11.7712 4.39379 GPRESSAVG: 2108600 62.7137 -46.4334 -3.68641 -47.2922 -43.1912 9.05421 -4.49673 12.4124 4.76232 TIMING: 2108600 CPU: 6664.8, 0.00316139/step Wall: 6664.8, 0.00316139/step, 2.53912 hours remaining, 237.195312 MB of memory in use. ENERGY: 2108600 3914.8387 20519.8353 14395.7870 247.8815 -203673.2987 2993.2306 0.0000 0.0000 52097.9051 -109503.8205 299.4074 -161601.7256 -109148.9650 299.1986 145.9773 174.2655 760214.5151 8.1900 8.0949 PRESSURE: 2108800 -172.597 104.251 139.723 104.25 271.445 -120.376 139.724 -120.376 189.021 GPRESSURE: 2108800 -18.3675 60.0666 78.9991 153.025 213.159 -110.479 78.3603 -116.15 181.79 PRESSAVG: 2108800 0.915714 -58.0583 37.0515 -58.0583 20.729 0.922072 37.0515 0.922167 0.867599 GPRESSAVG: 2108800 1.22553 -59.3131 36.4532 -58.7969 20.0857 2.21736 37.0012 0.87551 1.10108 TIMING: 2108800 CPU: 6665.43, 0.00315613/step Wall: 6665.43, 0.00315613/step, 2.53472 hours remaining, 237.195312 MB of memory in use. ENERGY: 2108800 3923.2809 20333.8203 14522.4816 228.1781 -203101.1637 2523.9617 0.0000 0.0000 51986.3432 -109583.0980 298.7662 -161569.4412 -109226.6764 298.6876 95.9563 125.5272 759768.6933 7.5041 7.4708 PRESSURE: 2109000 150.65 -17.3094 -63.5431 -17.3101 -99.3318 -260.616 -63.5431 -260.615 418.318 GPRESSURE: 2109000 111.199 -114.673 -83.9047 12.2056 36.3437 -244.679 -76.4838 -161.72 401.083 PRESSAVG: 2109000 -13.376 -57.127 13.4851 -57.1269 -27.7504 -29.8515 13.4851 -29.8515 25.8195 GPRESSAVG: 2109000 -13.0398 -53.3326 13.5272 -56.9714 -27.6682 -28.5778 14.5366 -32.5465 25.1314 TIMING: 2109000 CPU: 6666.06, 0.00315825/step Wall: 6666.06, 0.00315826/step, 2.53625 hours remaining, 237.195312 MB of memory in use. ENERGY: 2109000 3877.0570 20330.3414 14520.7043 240.6238 -203214.6111 2665.9989 0.0000 0.0000 51850.5653 -109729.3204 297.9859 -161579.8857 -109369.1872 298.3895 156.5455 182.8753 761619.7556 -5.1023 -5.1922 PRESSURE: 2109200 -439.056 -226.452 58.3233 -226.453 -43.26 -13.6409 58.3224 -13.6417 -2.55629 GPRESSURE: 2109200 -314.716 -271.805 83.2739 -185.948 -40.0543 18.9733 21.8027 8.89741 -40.1716 PRESSAVG: 2109200 -18.5255 -16.7337 -36.8773 -16.7337 -5.75735 30.1617 -36.8773 30.1617 15.7234 GPRESSAVG: 2109200 -19.6493 -20.044 -35.6463 -15.1479 -4.80876 30.3102 -39.2559 30.9852 16.0706 TIMING: 2109200 CPU: 6666.69, 0.00315286/step Wall: 6666.69, 0.00315286/step, 2.53175 hours remaining, 237.195312 MB of memory in use. ENERGY: 2109200 3966.1826 20402.3917 14396.4043 223.9388 -203389.5530 2489.6143 0.0000 0.0000 52075.5006 -109835.5206 299.2786 -161911.0212 -109479.7841 298.1461 -161.6242 -131.6471 760541.8245 -2.8531 -2.7958 PRESSURE: 2109400 89.1475 -93.8427 7.86932 -93.8431 -32.7848 -14.4102 7.86917 -14.4113 -30.0261 GPRESSURE: 2109400 111.135 -48.9179 23.899 -204.242 4.46932 -6.85513 53.0467 -44.7185 -28.4854 PRESSAVG: 2109400 -44.821 -6.46916 -16.6568 -6.46914 8.84399 -3.10648 -16.6568 -3.10644 -13.0672 GPRESSAVG: 2109400 -43.1777 -5.05294 -17.6799 -8.97809 7.65251 -2.65707 -15.167 -3.52101 -12.9997 TIMING: 2109400 CPU: 6667.32, 0.00315421/step Wall: 6667.32, 0.00315421/step, 2.53266 hours remaining, 237.195312 MB of memory in use. ENERGY: 2109400 3923.6415 20388.1366 14444.8684 228.1902 -203635.4908 2612.2190 0.0000 0.0000 52051.6531 -109986.7820 299.1416 -162038.4351 -109624.7412 298.7089 8.7789 29.0398 761101.7111 -16.3481 -16.1750 PRESSURE: 2109600 186.257 44.3696 -153.149 44.3699 135.024 -4.32269 -153.15 -4.32162 121.018 GPRESSURE: 2109600 255.686 -9.91449 -144.951 -25.2171 213.922 73.5135 -144.236 -15.7055 59.508 PRESSAVG: 2109600 -17.1545 -0.980228 -22.7945 -0.980166 13.1044 13.4224 -22.7944 13.4224 20.7679 GPRESSAVG: 2109600 -17.181 -3.63682 -22.6736 0.0872 13.7185 13.111 -22.1434 13.392 20.2528 TIMING: 2109600 CPU: 6667.95, 0.00315134/step Wall: 6667.95, 0.00315134/step, 2.53018 hours remaining, 237.195312 MB of memory in use. ENERGY: 2109600 3937.8478 20351.2553 14506.3861 269.4096 -203585.6739 2782.4587 0.0000 0.0000 51760.9557 -109977.3606 297.4709 -161738.3163 -109626.1517 298.2242 147.4331 176.3720 761224.2869 5.5726 5.5968 PRESSURE: 2109800 -72.4927 11.5938 69.7369 11.5939 359.874 -36.6479 69.7371 -36.6474 566.739 GPRESSURE: 2109800 39.4868 -26.978 78.2848 -32.1969 430.964 -58.6134 0.707886 -72.379 493.001 PRESSAVG: 2109800 42.7548 23.3989 0.816598 23.3989 13.7309 57.951 0.81656 57.951 -3.3637 GPRESSAVG: 2109800 42.8203 26.5061 1.90363 23.4603 12.4592 56.3234 0.409756 60.0893 -2.58776 TIMING: 2109800 CPU: 6668.58, 0.00316317/step Wall: 6668.58, 0.00316317/step, 2.5395 hours remaining, 237.195312 MB of memory in use. ENERGY: 2109800 3936.6619 20476.3928 14464.7270 244.9518 -203619.4809 2735.4129 0.0000 0.0000 51818.6259 -109942.7086 297.8024 -161761.3345 -109582.1954 298.1220 284.7067 321.1505 760928.3645 17.7073 17.5639 PRESSURE: 2110000 53.5745 59.1298 216.144 59.1294 283.844 239.172 216.145 239.173 103.948 GPRESSURE: 2110000 167.312 138.571 253.469 29.9265 250.472 287.323 119.588 189.564 114.6 PRESSAVG: 2110000 3.64985 -15.688 -0.0791239 -15.688 27.4497 -11.502 -0.0790445 -11.502 9.99543 GPRESSAVG: 2110000 3.10464 -18.2191 -1.04271 -17.0632 27.991 -11.0905 -0.26306 -10.6635 9.94972 TIMING: 2110000 CPU: 6669.21, 0.00315044/step Wall: 6669.21, 0.00315044/step, 2.5291 hours remaining, 237.195312 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: 2110000 3926.3384 20465.4605 14479.3728 233.3753 -203481.4709 2620.0865 0.0000 0.0000 51831.1707 -109925.6667 297.8745 -161756.8374 -109564.4439 298.0879 147.1220 177.4613 760073.5297 13.6983 13.6818 PRESSURE: 2110200 -184.592 40.7069 102.56 40.7071 74.5909 207.423 102.559 207.423 0.2777 GPRESSURE: 2110200 -194.053 2.2195 80.3218 -58.9562 128.596 244.264 42.5513 194.103 51.1327 PRESSAVG: 2110200 -13.3283 -8.40976 -14.9959 -8.40973 8.74958 74.7409 -14.996 74.7409 -12.605 GPRESSAVG: 2110200 -13.0446 -6.52832 -15.8607 -8.97563 8.32613 75.5943 -15.7317 72.108 -12.7157 TIMING: 2110200 CPU: 6669.84, 0.00314026/step Wall: 6669.84, 0.00314026/step, 2.52076 hours remaining, 237.195312 MB of memory in use. ENERGY: 2110200 4031.5114 20421.5845 14494.5955 234.4355 -203579.3287 2596.9102 0.0000 0.0000 51870.3494 -109929.9423 298.0996 -161800.2917 -109575.5759 298.1220 -36.5746 -4.7746 762103.4392 -5.7279 -5.8114 PRESSURE: 2110400 -283.706 -48.2139 190.201 -48.2136 -205.575 238.528 190.201 238.527 30.0927 GPRESSURE: 2110400 -250.189 11.8203 150.309 19.3653 -162.523 208.46 259.29 194.089 17.8953 PRESSAVG: 2110400 14.5367 -48.6891 -24.8804 -48.6891 -10.8016 60.3618 -24.8804 60.3618 22.6684 GPRESSAVG: 2110400 14.5764 -49.2623 -23.9166 -45.7997 -10.7821 60.2107 -24.7435 61.6478 22.4637 TIMING: 2110400 CPU: 6670.47, 0.00314158/step Wall: 6670.47, 0.00314158/step, 2.52164 hours remaining, 237.195312 MB of memory in use. ENERGY: 2110400 3962.9219 20654.0612 14443.8564 239.9280 -203268.4660 2412.7332 0.0000 0.0000 51625.2354 -109929.7298 296.6909 -161554.9652 -109577.2682 297.6847 -153.0628 -131.6056 761106.9604 8.8012 8.7526 PRESSURE: 2110600 110.92 -20.2907 135.722 -20.2904 -208.593 -57.2837 135.722 -57.2834 -94.191 GPRESSURE: 2110600 114.065 -76.3657 159.575 -17.4889 -148.895 -17.2236 92.6313 7.48034 -70.9528 PRESSAVG: 2110600 7.07937 -38.9954 7.34621 -38.9954 4.68153 73.8326 7.34613 73.8326 -4.34948 GPRESSAVG: 2110600 7.58631 -39.7324 7.18862 -40.3056 4.08479 73.1337 7.46823 74.6189 -3.71357 TIMING: 2110600 CPU: 6671.1, 0.0031299/step Wall: 6671.1, 0.0031299/step, 2.51209 hours remaining, 237.195312 MB of memory in use. ENERGY: 2110600 3959.1740 20518.2598 14405.4806 263.6593 -203467.9665 2358.4017 0.0000 0.0000 51887.1845 -110075.8064 298.1964 -161962.9909 -109718.1527 298.1798 -63.9547 -35.2608 759361.5754 2.4705 2.6525 PRESSURE: 2110800 -65.8707 42.0135 204.013 42.014 -247.523 17.476 204.013 17.4757 161.072 GPRESSURE: 2110800 -40.9852 27.9026 161.289 -111.565 -246.553 86.7098 422.359 32.5693 225.876 PRESSAVG: 2110800 59.4177 -15.9189 13.134 -15.919 -45.0119 -46.4169 13.134 -46.4169 -8.16215 GPRESSAVG: 2110800 58.3126 -14.275 12.2519 -17.5134 -44.3163 -47.1724 13.834 -46.938 -7.67806 TIMING: 2110800 CPU: 6671.73, 0.00317001/step Wall: 6671.73, 0.00317001/step, 2.54411 hours remaining, 237.195312 MB of memory in use. ENERGY: 2110800 4037.5782 20486.6448 14506.7818 232.0399 -203850.1204 2679.7151 0.0000 0.0000 51939.7579 -109967.6028 298.4985 -161907.3607 -109614.8726 298.2608 -50.7742 -20.5540 758171.3992 2.0812 2.1061 PRESSURE: 2111000 -147.116 -97.0995 35.5336 -97.0989 -20.4422 -85.9684 35.5331 -85.9692 -56.1802 GPRESSURE: 2111000 -97.4582 -69.2181 27.963 -35.983 104.819 -79.1453 95.7873 -51.3728 -137.009 PRESSAVG: 2111000 29.2749 -4.42605 7.913 -4.42605 -33.7645 -16.8583 7.91305 -16.8583 -3.87497 GPRESSAVG: 2111000 31.3066 -6.89183 10.9768 -1.2164 -34.9605 -16.2265 7.49119 -17.506 -5.03755 TIMING: 2111000 CPU: 6672.36, 0.00315368/step Wall: 6672.36, 0.00315368/step, 2.53083 hours remaining, 237.195312 MB of memory in use. ENERGY: 2111000 3990.7130 20591.5915 14516.5670 227.2948 -203550.0866 2437.8936 0.0000 0.0000 51919.2230 -109866.8037 298.3805 -161786.0266 -109497.8822 298.6501 -74.5795 -43.2161 759979.1349 -2.7882 -2.8971 PRESSURE: 2111200 -106.747 -51.5318 -185.648 -51.5317 44.5825 -4.34191 -185.647 -4.34331 247.231 GPRESSURE: 2111200 -75.3895 -8.82477 -209.431 35.048 163.272 -77.6168 -33.0963 -13.4537 180.348 PRESSAVG: 2111200 -32.1995 -1.82299 9.33002 -1.82304 -5.61929 -8.1199 9.32999 -8.11981 7.13765 GPRESSAVG: 2111200 -33.0334 0.209221 6.01881 -3.00695 -4.69445 -6.79484 9.56716 -7.82271 7.23617 TIMING: 2111200 CPU: 6672.99, 0.00313709/step Wall: 6672.99, 0.00313709/step, 2.51734 hours remaining, 237.195312 MB of memory in use. ENERGY: 2111200 3938.4418 20678.2843 14455.8118 249.4909 -203678.5565 2808.7921 0.0000 0.0000 51731.2202 -109816.5154 297.3000 -161547.7356 -109473.0879 298.2461 61.6886 89.4103 758348.9369 -10.2271 -10.1639 PRESSURE: 2111400 -199.746 -115.318 60.7555 -115.316 -234.236 122.387 60.7552 122.388 -185.705 GPRESSURE: 2111400 -201.492 -223.998 90.0463 -110.614 -134.125 86.6679 52.9723 79.4372 -204.275 PRESSAVG: 2111400 -17.7342 -43.0441 -3.21979 -43.044 43.5955 13.6341 -3.21983 13.6341 22.7806 GPRESSAVG: 2111400 -18.9184 -44.3231 -1.9742 -44.2259 43.2142 12.901 -3.28987 13.1769 24.7313 TIMING: 2111400 CPU: 6673.62, 0.00315398/step Wall: 6673.62, 0.00315398/step, 2.53072 hours remaining, 237.195312 MB of memory in use. ENERGY: 2111400 4019.9339 20599.7991 14446.5362 246.9909 -203479.2923 2481.0018 0.0000 0.0000 52035.7496 -109649.2808 299.0502 -161685.0304 -109281.5840 298.6261 -206.5624 -179.9641 760089.8207 16.2139 16.3424 PRESSURE: 2111600 63.7516 -8.36716 6.05433 -8.3679 177.463 -41.2296 6.05439 -41.23 -149.605 GPRESSURE: 2111600 114.318 -14.6364 14.4478 -55.6443 124.195 43.882 -72.1125 57.9073 -56.5278 PRESSAVG: 2111600 -43.7001 -46.9281 -2.0918 -46.9281 41.1079 16.9333 -2.09182 16.9334 5.93431 GPRESSAVG: 2111600 -42.8362 -45.8965 -2.57398 -46.7798 40.9505 17.0058 -0.73296 18.3703 5.3325 TIMING: 2111600 CPU: 6674.25, 0.00314961/step Wall: 6674.25, 0.00314961/step, 2.52704 hours remaining, 237.195312 MB of memory in use. ENERGY: 2111600 3987.7303 20539.5229 14409.8348 247.9731 -203545.8414 2477.9471 0.0000 0.0000 52182.3180 -109700.5151 299.8925 -161882.8331 -109338.5717 298.7861 30.5364 60.6618 761678.8592 1.1140 1.1489 PRESSURE: 2111800 28.946 -247.069 -144.497 -247.069 257.175 -102.02 -144.497 -102.02 166.426 GPRESSURE: 2111800 154.947 -126.1 -183.107 -173.391 195.334 -103.954 -52.4867 -30.8747 200.74 PRESSAVG: 2111800 -17.2566 -34.0713 -15.1995 -34.0713 9.00532 66.3336 -15.1995 66.3337 8.3476 GPRESSAVG: 2111800 -17.6422 -33.0279 -14.734 -33.1488 8.47787 65.7564 -16.8332 66.1882 9.19431 TIMING: 2111800 CPU: 6674.88, 0.00316232/step Wall: 6674.88, 0.00316232/step, 2.53706 hours remaining, 237.195312 MB of memory in use. ENERGY: 2111800 3985.8826 20554.2120 14481.6340 252.6287 -203818.8312 2918.2284 0.0000 0.0000 52015.3027 -109610.9429 298.9327 -161626.2456 -109251.8356 298.7629 150.8491 183.6737 763173.6138 0.0321 0.0100 PRESSURE: 2112000 152.401 -14.7734 9.47992 -14.7735 34.1149 -45.3951 9.48043 -45.3945 -290.694 GPRESSURE: 2112000 167.527 -141.479 65.6408 -76.2942 14.5961 50.4023 -28.2176 34.425 -221.178 PRESSAVG: 2112000 30.981 24.4605 -24.1547 24.4604 -18.1037 -8.12019 -24.1546 -8.12018 11.0249 GPRESSAVG: 2112000 31.395 20.159 -23.6757 24.9647 -16.781 -7.48386 -24.2994 -5.40045 9.35035 TIMING: 2112000 CPU: 6675.51, 0.00316298/step Wall: 6675.51, 0.00316299/step, 2.53742 hours remaining, 237.195312 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: 2112000 4025.5490 20457.6644 14518.3873 244.3316 -203654.1372 2816.5968 0.0000 0.0000 52090.2998 -109501.3083 299.3637 -161591.6081 -109135.7090 299.1350 -34.7261 -13.0184 762488.3014 7.9674 7.9881 PRESSURE: 2112200 -95.4915 -121.407 -140.122 -121.408 -19.0874 106.13 -140.122 106.129 320.047 GPRESSURE: 2112200 -34.7107 -241.948 -125.576 -59.3361 16.7164 25.6601 -95.81 73.454 328.868 PRESSAVG: 2112200 13.279 -11.9553 -23.2825 -11.9553 5.43596 -0.728336 -23.2825 -0.728391 -7.98151 GPRESSAVG: 2112200 13.9928 -9.91047 -23.876 -13.4097 4.82319 -1.81141 -25.2734 -2.33212 -8.48871 TIMING: 2112200 CPU: 6676.15, 0.00315427/step Wall: 6676.15, 0.00315427/step, 2.53025 hours remaining, 237.195312 MB of memory in use. ENERGY: 2112200 3987.2741 20496.1547 14465.3369 230.9273 -203363.9107 2792.4891 0.0000 0.0000 51813.2545 -109578.4740 297.7715 -161391.7285 -109226.2721 298.9711 68.4893 103.6246 761757.3656 3.5778 3.4424 LDB: ============= START OF LOAD BALANCING ============== 6688.68 LDB: ============== END OF LOAD BALANCING =============== 6688.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6688.68 LDB: ============= START OF LOAD BALANCING ============== 6689 LDB: Largest compute 7061 load 0.030491 is 15.6% of average load 0.195441 LDB: Average compute 0.004426 is 2.3% of average load 0.195441 LDB: TIME 6689 LOAD: AVG 0.195441 MAX 0.214485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.836 MB LDB: TIME 6689 LOAD: AVG 0.195441 MAX 0.214485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: TIME 6689 LOAD: AVG 0.195441 MAX 0.214485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: ============== END OF LOAD BALANCING =============== 6689 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6689.01 PRESSURE: 2112400 -315.629 34.7781 -119.839 34.7785 -169.579 -22.0229 -119.839 -22.0235 -339.846 GPRESSURE: 2112400 -340.02 45.8376 -114.515 11.7471 -69.7818 22.7101 1.25717 -8.65894 -320.411 PRESSAVG: 2112400 47.0549 -77.8567 -28.3095 -77.8567 -43.106 -3.46473 -28.3095 -3.46472 -25.2918 GPRESSAVG: 2112400 46.7387 -77.3754 -29.439 -78.9034 -43.5262 -1.16652 -24.6626 -5.28779 -24.0284 TIMING: 2112400 CPU: 6676.79, 0.00322614/step Wall: 6676.79, 0.00322614/step, 2.58772 hours remaining, 234.226562 MB of memory in use. ENERGY: 2112400 3995.2655 20291.5961 14459.6081 256.9448 -203078.1436 2485.0248 0.0000 0.0000 51966.7432 -109622.9611 298.6536 -161589.7043 -109266.7327 298.3633 -275.0180 -243.4043 761770.1399 -7.1143 -6.9386 PRESSURE: 2112600 -263.835 -142.024 35.79 -142.024 -332.995 -60.482 35.7895 -60.4817 -189.288 GPRESSURE: 2112600 -258.127 -97.4944 18.3298 -250.346 -272.682 -37.4594 47.9819 -153.886 -174.935 PRESSAVG: 2112600 32.4898 -39.1079 -80.6207 -39.1079 -26.224 -21.1224 -80.6207 -21.1225 0.857077 GPRESSAVG: 2112600 30.6491 -37.5864 -79.238 -38.6573 -24.9289 -21.6421 -84.4161 -20.4495 1.2154 TIMING: 2112600 CPU: 6677.42, 0.00315662/step Wall: 6677.42, 0.00315662/step, 2.53178 hours remaining, 234.226562 MB of memory in use. ENERGY: 2112600 4027.4766 20575.2826 14424.5925 225.9271 -202893.6412 2273.8339 0.0000 0.0000 51934.5052 -109432.0233 298.4683 -161366.5285 -109077.7053 299.3074 -262.0394 -235.2478 761971.0905 2.3743 2.3119 PRESSURE: 2112800 -96.0375 -99.0906 -178.985 -99.0913 45.9847 -31.9832 -178.986 -31.983 -115.46 GPRESSURE: 2112800 5.79959 -91.701 -177.748 -97.3384 -10.1735 -14.5772 -253.307 -54.6574 -93.3769 PRESSAVG: 2112800 -11.8705 -47.6958 -28.6458 -47.6958 20.8449 -16.4457 -28.6458 -16.4457 6.86502 GPRESSAVG: 2112800 -10.1919 -48.8769 -28.0524 -44.5105 19.6146 -17.4507 -26.0745 -18.6029 6.00932 TIMING: 2112800 CPU: 6678.06, 0.00316675/step Wall: 6678.06, 0.00316675/step, 2.53974 hours remaining, 234.285156 MB of memory in use. ENERGY: 2112800 3976.0194 20660.5640 14434.3464 230.5178 -203294.1544 2538.9303 0.0000 0.0000 52200.7262 -109253.0503 299.9983 -161453.7765 -108901.3325 299.1327 -55.1711 -32.5836 761953.7891 5.2798 5.1440 PRESSURE: 2113000 -42.545 -95.8009 -222.89 -95.8009 -159.483 1.52587 -222.89 1.52728 224.771 GPRESSURE: 2113000 -60.9567 -75.8722 -228.943 -194.559 -67.7323 -83.5521 -97.6104 -56.9935 236.148 PRESSAVG: 2113000 -33.7403 -45.5262 -58.3984 -45.5263 57.0703 -3.60277 -58.3984 -3.60286 9.88025 GPRESSAVG: 2113000 -32.6604 -44.9052 -57.1648 -47.4892 56.5446 -3.90847 -59.4144 -1.61328 9.24793 TIMING: 2113000 CPU: 6678.68, 0.00314338/step Wall: 6678.68, 0.00314338/step, 2.52082 hours remaining, 234.285156 MB of memory in use. ENERGY: 2113000 3938.0402 20381.3604 14587.3907 248.3232 -203396.1979 2717.3892 0.0000 0.0000 52148.7314 -109374.9627 299.6995 -161523.6941 -109009.1883 298.8077 7.5809 35.8197 763407.3557 11.0701 11.0441 PRESSURE: 2113200 142.54 99.2127 -309.006 99.2126 -108.134 127.9 -309.006 127.899 268.035 GPRESSURE: 2113200 106.107 71.0733 -425.342 153.192 -14.4048 136.01 -195.886 130.074 293.802 PRESSAVG: 2113200 18.0199 -25.7992 -32.5585 -25.7992 6.24175 -8.14882 -32.5585 -8.14874 4.60336 GPRESSAVG: 2113200 17.5191 -24.7944 -33.0568 -26.3493 7.08505 -8.53708 -30.3785 -6.42338 4.82802 TIMING: 2113200 CPU: 6679.32, 0.0031685/step Wall: 6679.32, 0.0031685/step, 2.54079 hours remaining, 234.285156 MB of memory in use. ENERGY: 2113200 3942.8864 20432.5045 14480.3339 253.2550 -203347.3001 2703.0874 0.0000 0.0000 52049.6004 -109485.6325 299.1298 -161535.2330 -109127.3634 299.1678 100.8138 128.5013 762791.9675 9.6217 9.8107 PRESSURE: 2113400 52.0815 -104.667 172.441 -104.667 252.471 193.137 172.44 193.137 -89.9392 GPRESSURE: 2113400 67.3871 -156.766 207.308 -76.9294 298.726 110.475 138.449 286.213 -86.839 PRESSAVG: 2113400 -13.9409 -54.5226 -0.467043 -54.5227 4.061 23.5755 -0.466984 23.5755 -7.84478 GPRESSAVG: 2113400 -15.4248 -56.4043 0.357328 -53.3042 5.27192 24.3624 -3.18119 22.869 -7.79911 TIMING: 2113400 CPU: 6679.95, 0.00316143/step Wall: 6679.95, 0.00316143/step, 2.53494 hours remaining, 234.285156 MB of memory in use. ENERGY: 2113400 4027.2530 20505.2650 14495.7583 250.1053 -203446.6301 2855.6940 0.0000 0.0000 51910.0070 -109402.5475 298.3275 -161312.5545 -109041.0648 298.8254 71.5376 93.0914 762617.8359 -5.9082 -5.9840 PRESSURE: 2113600 -32.3671 -102.966 -191.824 -102.966 148.735 174.636 -191.823 174.636 -414.716 GPRESSURE: 2113600 -8.36375 -123.696 -209.171 -21.41 154.007 130.331 -274.028 193.749 -372.071 PRESSAVG: 2113600 56.3608 -72.961 20.3914 -72.9611 -41.3495 36.9397 20.3915 36.9397 -12.1144 GPRESSAVG: 2113600 57.0299 -74.684 18.9593 -72.9076 -42.0968 35.607 22.2054 39.0684 -11.5165 TIMING: 2113600 CPU: 6680.58, 0.00314765/step Wall: 6680.58, 0.00314765/step, 2.52372 hours remaining, 234.285156 MB of memory in use. ENERGY: 2113600 3990.8472 20445.8572 14466.4482 226.5085 -203387.5178 2934.5902 0.0000 0.0000 52187.6729 -109135.5936 299.9233 -161323.2665 -108762.0989 299.9213 -99.4493 -75.4760 762593.2058 0.9657 1.1389 PRESSURE: 2113800 -208.228 -93.9443 252.798 -93.9441 -194.095 -68.1304 252.798 -68.1307 8.93478 GPRESSURE: 2113800 -122.647 -107.235 232.044 5.43539 -118.354 33.819 65.5197 -98.4832 -76.9663 PRESSAVG: 2113800 8.9931 -43.7914 -34.2258 -43.7914 -27.6029 35.7455 -34.2257 35.7454 4.80228 GPRESSAVG: 2113800 10.0805 -42.9738 -33.9925 -45.2284 -27.6981 36.336 -34.9191 32.2724 4.37515 TIMING: 2113800 CPU: 6681.21, 0.00315339/step Wall: 6681.21, 0.00315339/step, 2.52814 hours remaining, 234.285156 MB of memory in use. ENERGY: 2113800 4007.8673 20564.7366 14586.2976 247.4967 -202957.5874 2538.4008 0.0000 0.0000 52053.3302 -108959.4583 299.1512 -161012.7885 -108600.2409 299.4916 -131.1294 -105.9889 763747.0774 -4.6025 -4.4141 PRESSURE: 2114000 96.0758 -66.9412 -84.9117 -66.9412 22.8439 140.463 -84.9119 140.463 0.305524 GPRESSURE: 2114000 104.489 -20.6069 -47.7456 -51.7863 108.26 27.7243 -125.468 58.5021 -30.7201 PRESSAVG: 2114000 6.10447 -2.88889 -14.5306 -2.88891 1.10367 -6.28536 -14.5307 -6.28534 7.10504 GPRESSAVG: 2114000 5.81733 -3.33076 -13.7388 -1.39145 1.18114 -4.28002 -12.5929 -5.58933 7.53056 TIMING: 2114000 CPU: 6681.84, 0.00315834/step Wall: 6681.84, 0.00315834/step, 2.53194 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: 2114000 3979.8435 20759.4017 14457.8289 256.8075 -202747.1426 2391.4102 0.0000 0.0000 51910.6424 -108991.2084 298.3312 -160901.8509 -108628.9950 299.7849 39.7417 60.6765 763224.3499 4.7711 4.8430 PRESSURE: 2114200 -72.661 -125.277 -64.8389 -125.277 -206.091 -206.522 -64.8392 -206.521 -261.235 GPRESSURE: 2114200 -72.6436 -27.6977 13.2018 -86.9369 -128.424 -181.282 -51.5422 -147.284 -271.485 PRESSAVG: 2114200 0.712465 -18.5546 -24.3469 -18.5546 33.32 26.5002 -24.3468 26.5002 -26.7169 GPRESSAVG: 2114200 1.40322 -18.7011 -24.3932 -18.146 32.544 25.6975 -25.3771 27.5988 -26.6194 TIMING: 2114200 CPU: 6682.47, 0.00315751/step Wall: 6682.47, 0.00315751/step, 2.5311 hours remaining, 234.285156 MB of memory in use. ENERGY: 2114200 3969.3052 20616.6212 14499.9810 243.0187 -203029.8082 2575.0145 0.0000 0.0000 52186.3199 -108939.5477 299.9155 -161125.8676 -108573.3312 299.6291 -179.9958 -157.5175 762818.7856 2.4385 2.4426 PRESSURE: 2114400 23.6293 268.782 -14.826 268.782 197.248 -84.157 -14.826 -84.1575 168.333 GPRESSURE: 2114400 82.3455 118.459 -20.5629 326.734 265.163 -78.4632 2.07483 -103.621 136.805 PRESSAVG: 2114400 -11.8483 -47.5197 -27.3547 -47.5197 -40.0009 -5.57979 -27.3547 -5.57982 -6.73567 GPRESSAVG: 2114400 -13.1299 -45.5935 -26.886 -48.1949 -39.1067 -5.78837 -26.3178 -5.22998 -6.38336 TIMING: 2114400 CPU: 6683.1, 0.0031474/step Wall: 6683.1, 0.0031474/step, 2.52281 hours remaining, 234.285156 MB of memory in use. ENERGY: 2114400 4059.3108 20463.6006 14480.6192 259.2412 -203469.0063 2916.4074 0.0000 0.0000 52103.1449 -109186.6821 299.4375 -161289.8270 -108809.4619 299.5638 129.7367 161.4378 763066.1911 -19.5283 -19.5400 PRESSURE: 2114600 8.59344 -33.6923 -305.018 -33.6924 -64.8758 5.26666 -305.018 5.26554 -304.03 GPRESSURE: 2114600 43.7313 -37.2533 -257.629 -153.234 -46.3126 -153.255 -301.452 183.829 -291.796 PRESSAVG: 2114600 -12.6651 -40.566 -44.1251 -40.566 32.3914 64.5894 -44.1252 64.5894 10.6578 GPRESSAVG: 2114600 -12.2967 -41.8271 -44.2568 -40.7522 31.3806 64.2968 -45.2462 64.8516 10.666 TIMING: 2114600 CPU: 6683.73, 0.00313177/step Wall: 6683.73, 0.00313177/step, 2.51011 hours remaining, 234.460938 MB of memory in use. ENERGY: 2114600 4012.3580 20557.5566 14535.5625 233.9751 -203290.3698 2740.0328 0.0000 0.0000 51986.6423 -109224.2425 298.7679 -161210.8848 -108871.0805 299.5620 -120.1041 -98.1257 762101.9120 10.1280 9.9166 PRESSURE: 2114800 -61.7125 -98.1988 135.051 -98.1977 -314.854 385.619 135.051 385.618 -45.4379 GPRESSURE: 2114800 -137.011 -199.653 118.435 -123.313 -217.505 399.53 109.995 260.342 2.82726 PRESSAVG: 2114800 16.7615 12.4146 -25.1429 12.4146 18.9491 37.5287 -25.1429 37.5286 -16.2623 GPRESSAVG: 2114800 15.9514 12.8563 -26.9025 11.9984 19.3977 38.7557 -23.4789 33.1352 -15.9825 TIMING: 2114800 CPU: 6684.36, 0.00315639/step Wall: 6684.36, 0.00315639/step, 2.52967 hours remaining, 234.460938 MB of memory in use. ENERGY: 2114800 4043.2811 20361.5505 14459.5949 242.1769 -203709.5548 2820.0980 0.0000 0.0000 52399.4606 -109383.3929 301.1404 -161782.8535 -109011.1409 299.8679 -140.6680 -117.2296 762522.6453 6.4828 6.4555 PRESSURE: 2115000 80.6694 -148.536 -82.5943 -148.535 -318.72 47.7966 -82.594 47.7961 -142.465 GPRESSURE: 2115000 48.4448 -137.096 -77.0194 -239.075 -208.963 -5.32493 -115.29 46.1511 -132.509 PRESSAVG: 2115000 15.3768 -6.36078 -33.489 -6.36075 -29.8896 28.6502 -33.4891 28.6503 -42.063 GPRESSAVG: 2115000 15.294 -7.83308 -32.0387 -3.68922 -29.4874 27.5725 -35.2838 32.0555 -41.9869 TIMING: 2115000 CPU: 6684.99, 0.00315176/step Wall: 6684.99, 0.00315176/step, 2.52579 hours remaining, 234.460938 MB of memory in use. ENERGY: 2115000 4042.7272 20448.6924 14499.9394 232.3306 -203125.5504 2301.0065 0.0000 0.0000 52285.5968 -109315.2575 300.4860 -161600.8543 -108947.4316 299.1532 -126.8385 -97.6758 761823.7254 -18.8586 -18.7268 PRESSURE: 2115200 36.8028 -49.9804 127.103 -49.9802 143.722 40.8614 127.103 40.8613 -178.47 GPRESSURE: 2115200 119.003 -77.7072 199.231 -158.486 95.4503 -18.9508 123.695 31.9685 -135.643 PRESSAVG: 2115200 -39.3524 -19.9964 -36.5185 -19.9965 51.919 45.1254 -36.5186 45.1255 -21.2447 GPRESSAVG: 2115200 -38.1726 -18.6982 -37.6267 -19.8925 51.7053 43.5831 -36.0675 44.6717 -22.0361 TIMING: 2115200 CPU: 6685.62, 0.00314894/step Wall: 6685.62, 0.00314894/step, 2.52335 hours remaining, 234.460938 MB of memory in use. ENERGY: 2115200 3927.0703 20578.1318 14590.6532 234.4033 -203237.4505 2622.2407 0.0000 0.0000 52092.3408 -109192.6104 299.3754 -161284.9512 -108823.5100 298.8841 0.6850 26.2701 762064.0211 -2.8927 -2.8345 PRESSURE: 2115400 -201.916 -108.651 158.269 -108.651 -123.285 197.737 158.269 197.738 -15.708 GPRESSURE: 2115400 -110.862 -137.716 171.112 -57.2807 -137.438 208.619 78.4983 161.248 -7.31447 PRESSAVG: 2115400 -33.4714 -5.63202 11.2059 -5.63208 11.2966 -33.5179 11.2059 -33.5178 20.1725 GPRESSAVG: 2115400 -33.9661 -6.83154 11.627 -7.01559 11.1855 -32.1871 12.4331 -33.8559 20.5396 TIMING: 2115400 CPU: 6686.25, 0.0031535/step Wall: 6686.25, 0.0031535/step, 2.52683 hours remaining, 234.460938 MB of memory in use. ENERGY: 2115400 3973.3260 20754.8094 14516.1632 256.2112 -203264.6282 2656.5934 0.0000 0.0000 52172.4918 -108935.0332 299.8360 -161107.5250 -108576.7619 299.9768 -113.6363 -85.2046 762327.9071 -0.6674 -0.7470 PRESSURE: 2115600 -0.911086 234.062 109.749 234.062 80.6649 -62.8318 109.749 -62.8317 50.3531 GPRESSURE: 2115600 111.818 183.032 63.8269 145.659 61.9188 -33.395 13.0544 -22.3796 46.3652 PRESSAVG: 2115600 -11.7429 -11.9534 9.44896 -11.9534 46.8219 66.4957 9.44886 66.4957 -17.8744 GPRESSAVG: 2115600 -11.157 -12.0897 9.62768 -11.3599 46.4597 66.5178 8.47192 68.9417 -17.3408 TIMING: 2115600 CPU: 6686.88, 0.00316001/step Wall: 6686.88, 0.00316001/step, 2.53187 hours remaining, 234.460938 MB of memory in use. ENERGY: 2115600 4024.7974 20600.1001 14509.4885 258.4001 -203195.5935 2776.7114 0.0000 0.0000 52292.7866 -108733.3094 300.5274 -161026.0960 -108372.8056 300.4161 43.3690 73.3674 762824.8311 5.7349 5.9873 PRESSURE: 2115800 86.3808 63.0354 -126.553 63.0357 58.6574 105.711 -126.554 105.712 108.764 GPRESSURE: 2115800 132.608 55.2478 -201.564 6.14216 163.73 133.635 -144.828 -9.54103 34.5136 PRESSAVG: 2115800 -0.144528 0.909225 10.7762 0.909217 39.435 48.1454 10.7761 48.1455 -5.70689 GPRESSAVG: 2115800 0.550429 2.47153 9.37004 -1.86572 39.5084 48.7823 9.92451 45.3813 -6.12241 TIMING: 2115800 CPU: 6687.51, 0.00315746/step Wall: 6687.51, 0.00315746/step, 2.52965 hours remaining, 234.460938 MB of memory in use. ENERGY: 2115800 4055.9158 20611.3943 14550.3278 252.3608 -203277.9045 2739.5878 0.0000 0.0000 52218.8919 -108849.4261 300.1027 -161068.3180 -108487.9921 301.1889 84.6008 110.2837 762852.4073 11.1945 11.3121 PRESSURE: 2116000 133.635 -205.081 109.243 -205.081 41.3778 137.622 109.244 137.622 31.0057 GPRESSURE: 2116000 151.152 -246.398 110.325 -195.314 76.2456 173.373 90.3765 78.1004 58.9222 PRESSAVG: 2116000 -20.2173 -30.4533 -16.987 -30.4534 72.7185 -14.5067 -16.9871 -14.5067 9.55649 GPRESSAVG: 2116000 -21.4128 -28.633 -13.5682 -31.2769 73.8403 -14.8537 -19.1722 -11.8178 9.73439 TIMING: 2116000 CPU: 6688.15, 0.00315753/step Wall: 6688.15, 0.00315753/step, 2.52953 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: 2116000 4144.5119 20566.3634 14539.7998 227.9933 -203482.0930 2983.8384 0.0000 0.0000 52306.5602 -108713.0260 300.6065 -161019.5862 -108356.5897 301.1056 68.6727 95.4398 762715.0314 20.6859 20.7206 PRESSURE: 2116200 104.982 -113.688 -86.5661 -113.687 -306.105 50.1406 -86.5647 50.1404 -241.608 GPRESSURE: 2116200 131.637 -137.541 -15.1849 -63.9866 -342.387 7.60954 4.49905 75.5433 -150.859 PRESSAVG: 2116200 -14.4237 -35.6388 -25.4421 -35.6387 7.90805 23.8228 -25.4421 23.8229 -5.0493 GPRESSAVG: 2116200 -14.0349 -37.3428 -26.1619 -33.0931 6.96369 24.7114 -22.3288 21.8108 -4.34945 TIMING: 2116200 CPU: 6688.78, 0.00314802/step Wall: 6688.78, 0.00314802/step, 2.52174 hours remaining, 234.460938 MB of memory in use. ENERGY: 2116200 4029.8685 20687.9691 14429.3582 264.2926 -202839.4582 2317.1184 0.0000 0.0000 52263.4819 -108847.3696 300.3589 -161110.8514 -108488.6145 300.3670 -147.5769 -120.5363 763027.4941 -3.8550 -3.8069 LDB: ============= START OF LOAD BALANCING ============== 6701.31 LDB: ============== END OF LOAD BALANCING =============== 6701.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6701.31 LDB: ============= START OF LOAD BALANCING ============== 6701.62 LDB: Largest compute 7060 load 0.029653 is 15.2% of average load 0.195428 LDB: Average compute 0.004402 is 2.3% of average load 0.195428 LDB: TIME 6701.63 LOAD: AVG 0.195428 MAX 0.21541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.898 MB LDB: TIME 6701.63 LOAD: AVG 0.195428 MAX 0.21541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.105 MB LDB: TIME 6701.63 LOAD: AVG 0.195428 MAX 0.21541 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.105 MB LDB: ============== END OF LOAD BALANCING =============== 6701.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6701.63 PRESSURE: 2116400 -39.6055 -99.9795 35.1479 -99.9791 -16.3112 -91.7041 35.149 -91.704 -406.209 GPRESSURE: 2116400 5.63706 -60.511 -5.87909 -156.128 -17.1454 -156.656 83.3769 -109.38 -376.281 PRESSAVG: 2116400 9.3178 -70.6744 -33.0905 -70.6745 -28.9381 26.1898 -33.0905 26.1898 -13.7759 GPRESSAVG: 2116400 9.1732 -70.9634 -33.4208 -71.1853 -28.1918 26.087 -33.6751 25.3509 -14.5179 TIMING: 2116400 CPU: 6689.42, 0.00320738/step Wall: 6689.42, 0.00320738/step, 2.56911 hours remaining, 236.406250 MB of memory in use. ENERGY: 2116400 4069.3314 20718.4587 14472.7766 239.7719 -203285.8541 2583.7541 0.0000 0.0000 52020.6302 -109181.1311 298.9633 -161201.7612 -108819.8084 299.9032 -154.0419 -129.2630 762254.8424 -11.1321 -11.1788 PRESSURE: 2116600 -158.819 -104.196 -78.9139 -104.196 257.994 194.245 -78.9132 194.245 176.71 GPRESSURE: 2116600 -0.0129064 75.8847 -120.783 -175.569 213.539 230.058 -185.821 191.877 116.13 PRESSAVG: 2116600 -53.0347 -24.4443 -49.8119 -24.4443 26.5315 21.2023 -49.8119 21.2022 2.12448 GPRESSAVG: 2116600 -52.6648 -21.8106 -48.9039 -24.9015 25.6952 21.5102 -51.5035 21.0911 2.23185 TIMING: 2116600 CPU: 6690.04, 0.00313498/step Wall: 6690.04, 0.00313498/step, 2.51095 hours remaining, 236.609375 MB of memory in use. ENERGY: 2116600 3987.6214 20569.3327 14523.8113 274.7184 -203300.1001 2617.2593 0.0000 0.0000 52426.0950 -108901.2620 301.2935 -161327.3570 -108544.7870 300.2123 91.9617 109.8855 762588.0861 -8.1262 -8.2459 PRESSURE: 2116800 57.8756 -102.035 -156.274 -102.035 -139.794 95.8854 -156.274 95.8848 -314.073 GPRESSURE: 2116800 25.4327 -207.804 -121.153 -27.9759 -39.5672 149.481 -109.189 84.2538 -307.34 PRESSAVG: 2116800 -52.1282 -41.7001 -28.7979 -41.7002 14.1847 16.5593 -28.7979 16.5593 -5.22244 GPRESSAVG: 2116800 -52.4098 -42.8014 -28.6914 -40.6102 15.0169 15.5824 -27.1685 17.9264 -5.8327 TIMING: 2116800 CPU: 6690.67, 0.0031361/step Wall: 6690.67, 0.0031361/step, 2.51167 hours remaining, 236.609375 MB of memory in use. ENERGY: 2116800 3990.2083 20647.2104 14505.9993 251.2924 -203321.1806 2723.1529 0.0000 0.0000 52376.4396 -108826.8776 301.0081 -161203.3173 -108460.2483 300.3510 -131.9971 -107.1580 763027.1294 -14.3886 -14.4085 PRESSURE: 2117000 -281.674 -52.727 171.48 -52.7282 -116.352 25.8957 171.479 25.8964 -244.845 GPRESSURE: 2117000 -311.056 19.3841 166.946 22.5401 -23.4234 -2.82136 38.1089 8.09364 -219.488 PRESSAVG: 2117000 -23.664 1.44649 -74.4072 1.44648 10.8844 20.8006 -74.4073 20.8007 11.0084 GPRESSAVG: 2117000 -23.1648 0.226645 -75.6012 0.996372 9.47653 20.6377 -75.3522 22.464 12.5354 TIMING: 2117000 CPU: 6691.3, 0.00312923/step Wall: 6691.3, 0.00312923/step, 2.50599 hours remaining, 236.609375 MB of memory in use. ENERGY: 2117000 4059.0099 20648.7499 14537.5840 230.9145 -203119.2904 2631.1555 0.0000 0.0000 52271.0930 -108740.7836 300.4027 -161011.8766 -108393.2843 300.8664 -214.2905 -184.6559 763463.0028 -0.5904 -0.3843 PRESSURE: 2117200 -60.8564 -155.897 -74.9133 -155.897 -140.673 -203.903 -74.9131 -203.904 -405.614 GPRESSURE: 2117200 -103.216 -37.6147 -21.4628 -178.205 -57.8103 -111.853 -111.526 -51.1315 -372.584 PRESSAVG: 2117200 1.45516 30.158 -0.615399 30.158 -9.83656 11.678 -0.6154 11.6779 -8.32284 GPRESSAVG: 2117200 1.33701 30.7414 -0.245737 30.463 -8.06376 11.7578 -1.6992 11.7433 -10.2263 TIMING: 2117200 CPU: 6691.93, 0.00314479/step Wall: 6691.93, 0.00314479/step, 2.51828 hours remaining, 236.867188 MB of memory in use. ENERGY: 2117200 4005.2237 20719.5885 14562.1899 260.0062 -203675.5077 2958.5271 0.0000 0.0000 52252.6057 -108917.3667 300.2964 -161169.9724 -108557.7746 300.6674 -202.3811 -177.8701 764340.6356 -5.5681 -5.6510 PRESSURE: 2117400 -184.74 65.7416 -164.306 65.7415 286.944 -94.4642 -164.306 -94.4635 5.19012 GPRESSURE: 2117400 -203.635 106.856 -150.118 51.834 273.54 -234.817 -42.5756 -133.396 107.477 PRESSAVG: 2117400 -15.7198 -18.5341 -9.68069 -18.5341 54.2653 -17.7537 -9.68063 -17.7537 8.03386 GPRESSAVG: 2117400 -16.0637 -18.3814 -11.0199 -17.4479 54.576 -17.2664 -7.01744 -20.0848 8.28447 TIMING: 2117400 CPU: 6692.56, 0.00315552/step Wall: 6692.56, 0.00315552/step, 2.52669 hours remaining, 236.867188 MB of memory in use. ENERGY: 2117400 4054.9658 20668.7022 14450.4083 251.0121 -203155.7246 2660.4975 0.0000 0.0000 52085.1233 -108985.0154 299.3339 -161070.1387 -108622.8560 300.6553 35.7978 59.1272 763033.3276 15.5264 15.5989 PRESSURE: 2117600 58.0689 44.7597 97.8966 44.7598 -223.745 -108.639 97.8964 -108.638 -264.348 GPRESSURE: 2117600 10.2784 -27.1431 210.474 83.8237 -178.568 -77.1226 41.1495 -75.6564 -186.991 PRESSAVG: 2117600 -59.7274 33.1673 -35.7118 33.1672 69.3101 -27.3383 -35.7118 -27.3384 22.6881 GPRESSAVG: 2117600 -59.4204 33.0635 -34.5306 31.8856 67.5267 -28.8363 -37.4493 -24.6064 23.9997 TIMING: 2117600 CPU: 6693.19, 0.00316951/step Wall: 6693.19, 0.00316951/step, 2.53772 hours remaining, 236.867188 MB of memory in use. ENERGY: 2117600 4036.8472 20336.8966 14572.7998 252.1127 -203339.0697 2724.2897 0.0000 0.0000 52417.5353 -108998.5882 301.2443 -161416.1236 -108629.3845 299.6693 -143.3414 -118.4268 763017.9016 10.7569 10.7020 PRESSURE: 2117800 -168.649 -78.8529 168.8 -78.8522 -96.6593 133.891 168.799 133.891 -44.1552 GPRESSURE: 2117800 -66.4593 -59.9591 116.952 -81.9863 -71.5335 205.002 68.8727 153.816 -66.159 PRESSAVG: 2117800 -31.0054 -69.419 -56.2803 -69.419 -21.5577 39.9993 -56.2804 39.9992 9.97004 GPRESSAVG: 2117800 -31.403 -69.6238 -56.6277 -69.346 -19.7528 41.943 -56.8669 39.2323 8.58397 TIMING: 2117800 CPU: 6693.82, 0.00316507/step Wall: 6693.82, 0.00316507/step, 2.53399 hours remaining, 236.867188 MB of memory in use. ENERGY: 2117800 3983.5515 20681.6845 14548.7426 228.6383 -203301.2356 2632.8884 0.0000 0.0000 52296.6710 -108929.0594 300.5497 -161225.7304 -108566.2277 300.5673 -103.1543 -68.0506 762630.5178 -14.1977 -14.1906 PRESSURE: 2118000 -377.338 -86.2181 52.6835 -86.2176 -91.3413 -140.935 52.6837 -140.935 432.625 GPRESSURE: 2118000 -219.329 -148.555 74.793 -95.7735 -134.281 -165.787 -95.855 -140.65 397.97 PRESSAVG: 2118000 -0.435525 -45.0823 -19.8953 -45.0823 -3.47076 48.2579 -19.8953 48.2579 -7.43135 GPRESSAVG: 2118000 -1.18289 -45.2274 -21.055 -45.2397 -3.80007 48.4601 -18.264 47.3999 -6.34834 TIMING: 2118000 CPU: 6694.46, 0.0031559/step Wall: 6694.46, 0.0031559/step, 2.52648 hours remaining, 236.867188 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: 2118000 4030.9872 20566.3340 14573.6691 244.7356 -202702.4367 2303.5983 0.0000 0.0000 52286.2378 -108696.8747 300.4897 -160983.1125 -108336.6061 300.3088 -12.0180 14.7869 763984.4379 -3.7792 -3.7771 PRESSURE: 2118200 0.673457 -23.0634 -127.014 -23.0627 -57.347 55.6514 -127.013 55.6519 -75.3556 GPRESSURE: 2118200 95.3273 33.9639 -180.979 -89.6267 -35.5849 114.346 -175.631 113.93 -127.215 PRESSAVG: 2118200 5.14484 -60.42 -27.2905 -60.42 -7.26169 47.3549 -27.2905 47.3549 10.5019 GPRESSAVG: 2118200 5.74731 -59.6894 -25.0035 -61.4297 -7.47904 47.2639 -28.7966 47.8151 9.4613 TIMING: 2118200 CPU: 6695.09, 0.00314793/step Wall: 6695.09, 0.00314793/step, 2.51992 hours remaining, 236.867188 MB of memory in use. ENERGY: 2118200 3990.8831 20577.1414 14533.6137 247.9819 -203122.9419 2522.2292 0.0000 0.0000 52212.6764 -109038.4162 300.0670 -161251.0926 -108678.4410 300.2569 -44.0097 -22.4908 762112.7960 2.7950 2.5765 PRESSURE: 2118400 -470.629 -16.1078 20.3737 -16.1078 -553.219 68.4661 20.3732 68.4659 -28.5939 GPRESSURE: 2118400 -410.459 179.777 -7.38933 -26.9458 -476.29 99.413 30.575 58.2585 -85.5248 PRESSAVG: 2118400 -52.5523 2.05103 -25.0987 2.05103 38.1099 88.0674 -25.0987 88.0674 -21.5088 GPRESSAVG: 2118400 -51.5306 4.93685 -25.718 2.31382 37.2327 86.6339 -24.7485 90.5241 -21.3256 TIMING: 2118400 CPU: 6695.72, 0.00316708/step Wall: 6695.72, 0.00316708/step, 2.53507 hours remaining, 236.867188 MB of memory in use. ENERGY: 2118400 4075.5664 20547.4613 14506.7674 238.1118 -203252.0578 2534.7962 0.0000 0.0000 52340.3623 -109008.9925 300.8008 -161349.3548 -108642.5240 299.9938 -350.8140 -324.0912 763847.3007 -11.9838 -11.8745 PRESSURE: 2118600 246.181 31.9682 74.6755 31.968 245.836 63.7612 74.6759 63.7618 373.778 GPRESSURE: 2118600 358.989 0.825629 74.6709 131.67 194.607 140.335 21.0905 -54.7325 393.967 PRESSAVG: 2118600 -52.3145 -6.35229 -1.30484 -6.35226 74.9681 24.0074 -1.30477 24.0073 10.6988 GPRESSAVG: 2118600 -52.4145 -7.24057 -1.25658 -6.25154 74.7212 25.6308 -1.50623 23.2579 11.2373 TIMING: 2118600 CPU: 6696.35, 0.00316206/step Wall: 6696.35, 0.00316206/step, 2.53087 hours remaining, 236.867188 MB of memory in use. ENERGY: 2118600 3896.5779 20663.3963 14578.9853 254.4879 -203245.8074 2670.2236 0.0000 0.0000 52222.9268 -108959.2097 300.1259 -161182.1365 -108595.7688 300.2237 288.5984 315.8543 761645.3376 11.1175 11.1813 PRESSURE: 2118800 -518.855 -81.2544 -97.5379 -81.2544 -47.5889 108.14 -97.5369 108.14 -541.279 GPRESSURE: 2118800 -385.55 -3.92188 3.44484 -84.3718 -74.2865 120.985 -155.924 104.713 -547.979 PRESSAVG: 2118800 -57.985 25.0273 -47.0062 25.0273 43.669 31.8518 -47.0061 31.8518 8.41484 GPRESSAVG: 2118800 -57.1981 23.5573 -46.5969 25.145 43.1611 30.6525 -46.4567 30.4362 8.35526 TIMING: 2118800 CPU: 6696.98, 0.00314349/step Wall: 6696.98, 0.00314349/step, 2.51584 hours remaining, 236.867188 MB of memory in use. ENERGY: 2118800 4013.3140 20646.0669 14557.4890 266.7459 -202832.6775 2367.2879 0.0000 0.0000 51897.8047 -109083.9691 298.2574 -160981.7738 -108723.9120 299.5378 -369.2411 -335.9384 763431.3170 -1.9670 -1.8939 PRESSURE: 2119000 226.845 -157.946 217.29 -157.946 -94.4203 -64.4153 217.29 -64.4145 -190.187 GPRESSURE: 2119000 248.343 -89.5739 169.977 -212.402 -81.0409 31.6611 158.311 7.52559 -141.995 PRESSAVG: 2119000 -0.421209 -41.8765 -21.3987 -41.8765 -16.1571 -1.65672 -21.3987 -1.6567 -1.2502 GPRESSAVG: 2119000 -1.41608 -41.7118 -22.056 -40.2684 -17.1789 -1.0526 -20.5958 -2.3572 1.4139 TIMING: 2119000 CPU: 6697.61, 0.00314118/step Wall: 6697.61, 0.00314118/step, 2.51381 hours remaining, 236.867188 MB of memory in use. ENERGY: 2119000 4045.1691 20589.6595 14513.2545 228.8366 -203386.5260 2622.4169 0.0000 0.0000 51999.3460 -109387.8434 298.8410 -161387.1894 -109032.7760 299.2576 -19.2543 8.4356 762752.3920 -5.9429 -5.7270 PRESSURE: 2119200 166.806 -18.5963 -44.96 -18.5957 97.8471 -49.3423 -44.9602 -49.3424 -181.345 GPRESSURE: 2119200 204.958 -62.013 85.2989 -52.7531 109.669 -4.30459 72.4366 -161.523 -150.305 PRESSAVG: 2119200 20.0475 5.16376 -19.1974 5.16376 2.7877 28.6857 -19.1974 28.6858 -6.72667 GPRESSAVG: 2119200 20.2632 5.02396 -18.6687 4.80056 4.36157 28.9214 -20.2556 29.7298 -8.61484 TIMING: 2119200 CPU: 6698.24, 0.00315224/step Wall: 6698.24, 0.00315224/step, 2.52249 hours remaining, 236.867188 MB of memory in use. ENERGY: 2119200 4009.9076 20551.8130 14553.6432 240.4790 -203172.6949 2508.6251 0.0000 0.0000 51858.5158 -109449.7112 298.0316 -161308.2270 -109089.8133 299.2054 27.7694 54.7738 762488.9707 5.3695 5.3366 PRESSURE: 2119400 -128.077 116.121 -191.489 116.12 -100.156 -94.8972 -191.49 -94.8972 -7.1436 GPRESSURE: 2119400 -98.2499 92.4222 -233.467 89.351 -32.9096 -9.26528 -277.363 -104.319 -14.7074 PRESSAVG: 2119400 -17.1927 -54.561 14.5162 -54.561 61.8541 -20.2716 14.5162 -20.2716 4.64903 GPRESSAVG: 2119400 -16.8401 -55.1609 14.3001 -55.369 61.8095 -19.1618 15.8511 -20.5153 3.85182 TIMING: 2119400 CPU: 6698.87, 0.00314309/step Wall: 6698.87, 0.00314309/step, 2.515 hours remaining, 236.867188 MB of memory in use. ENERGY: 2119400 4022.3785 20460.1874 14418.1755 246.4069 -203199.3231 2450.7834 0.0000 0.0000 51957.6634 -109643.7279 298.6014 -161601.3913 -109279.2434 298.9123 -78.4587 -48.6223 760902.6049 16.4368 16.2738 PRESSURE: 2119600 452.996 -19.7242 139.968 -19.7242 506.342 -160.772 139.968 -160.773 274.424 GPRESSURE: 2119600 585.39 -6.03838 38.8576 10.4543 462.507 -181.538 9.74758 -79.1538 266.561 PRESSAVG: 2119600 -4.26376 -5.66539 -13.698 -5.66537 29.3419 -1.99975 -13.698 -1.99972 -5.75802 GPRESSAVG: 2119600 -3.87796 -5.65979 -13.9622 -3.36618 28.7146 -2.77218 -15.4028 -3.23478 -6.10371 TIMING: 2119600 CPU: 6699.5, 0.00315432/step Wall: 6699.5, 0.00315432/step, 2.5238 hours remaining, 236.867188 MB of memory in use. ENERGY: 2119600 3912.4884 20479.5583 14526.9604 261.7986 -204081.0887 3141.1038 0.0000 0.0000 52072.6898 -109686.4895 299.2625 -161759.1793 -109325.6659 299.2154 411.2543 438.1526 760275.8447 6.4400 6.2443 PRESSURE: 2119800 58.8234 -16.0955 224.797 -16.0967 46.6152 -48.1127 224.796 -48.1139 256.935 GPRESSURE: 2119800 164.473 -50.5837 216.841 67.8769 24.2797 29.8379 291.576 -100.454 278.753 PRESSAVG: 2119800 23.4362 -23.5874 -14.3212 -23.5874 -52.3202 32.6774 -14.3212 32.6774 -10.8418 GPRESSAVG: 2119800 22.9206 -21.2118 -14.9432 -26.9754 -52.2115 31.2635 -13.2961 33.7124 -10.4918 TIMING: 2119800 CPU: 6700.13, 0.00313974/step Wall: 6700.13, 0.00313974/step, 2.51196 hours remaining, 236.867188 MB of memory in use. ENERGY: 2119800 3938.5434 20535.2301 14407.7656 241.9261 -203557.3376 2895.8936 0.0000 0.0000 51691.5438 -109846.4351 297.0720 -161537.9789 -109465.3834 298.4238 120.7912 155.8352 762687.2186 -13.2419 -13.2609 PRESSURE: 2120000 130.835 94.5287 -114.977 94.5289 -110.599 46.263 -114.978 46.2614 141.427 GPRESSURE: 2120000 113.4 93.2428 -94.8205 190.317 -41.4675 52.5396 -258.333 -15.0238 171.579 PRESSAVG: 2120000 51.4162 13.3416 -37.3132 13.3416 -26.3372 -44.4043 -37.3132 -44.4044 -0.680753 GPRESSAVG: 2120000 50.3837 11.194 -36.7213 14.9244 -26.6484 -44.4581 -36.6683 -44.9987 0.295707 TIMING: 2120000 CPU: 6700.75, 0.00313167/step Wall: 6700.75, 0.00313167/step, 2.50533 hours remaining, 236.867188 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: 2120000 3959.9243 20436.3497 14501.9442 233.3510 -203438.5253 2723.0009 0.0000 0.0000 51868.9147 -109715.0405 298.0914 -161583.9552 -109347.7532 297.9716 53.8878 81.1703 763454.1527 8.1327 8.0104 PRESSURE: 2120200 -113.818 -254.754 63.6758 -254.754 -199.777 -49.8417 63.6764 -49.842 66.1087 GPRESSURE: 2120200 -44.9919 -246.736 96.7794 -228.422 -135.658 -123.688 232.239 -125.307 32.435 PRESSAVG: 2120200 43.2749 -35.9033 -23.1831 -35.9032 -54.1084 -14.3181 -23.1831 -14.3182 -1.14716 GPRESSAVG: 2120200 44.0373 -34.3055 -23.5131 -35.9648 -52.4785 -13.0095 -22.8769 -15.4666 -3.4616 TIMING: 2120200 CPU: 6701.38, 0.0031509/step Wall: 6701.38, 0.0031509/step, 2.52054 hours remaining, 236.867188 MB of memory in use. ENERGY: 2120200 4040.4804 20512.4759 14521.9974 248.0244 -203740.7288 2745.1572 0.0000 0.0000 51904.4040 -109768.1896 298.2953 -161672.5936 -109413.6905 298.7878 -82.4952 -49.4051 762392.6831 -3.9935 -3.9676 LDB: ============= START OF LOAD BALANCING ============== 6713.92 LDB: ============== END OF LOAD BALANCING =============== 6713.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6713.92 LDB: ============= START OF LOAD BALANCING ============== 6714.24 LDB: Largest compute 7060 load 0.029440 is 15.1% of average load 0.195418 LDB: Average compute 0.004401 is 2.3% of average load 0.195418 LDB: TIME 6714.24 LOAD: AVG 0.195418 MAX 0.217406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.871 MB LDB: TIME 6714.24 LOAD: AVG 0.195418 MAX 0.217406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: TIME 6714.24 LOAD: AVG 0.195418 MAX 0.217406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.965 MB LDB: ============== END OF LOAD BALANCING =============== 6714.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6714.25 PRESSURE: 2120400 -113.532 236.594 140.657 236.595 182.125 177.989 140.656 177.99 36.9085 GPRESSURE: 2120400 -71.5559 171.493 180.087 256.883 219.023 250.097 221.832 239.326 56.3348 PRESSAVG: 2120400 24.268 -12.0994 -73.1035 -12.0993 -3.66775 14.0831 -73.1035 14.0831 1.77527 GPRESSAVG: 2120400 24.1894 -15.4461 -71.499 -12.4022 -5.35889 13.9221 -73.5792 16.4452 3.09517 TIMING: 2120400 CPU: 6702.03, 0.00323602/step Wall: 6702.03, 0.00323602/step, 2.58845 hours remaining, 236.925781 MB of memory in use. ENERGY: 2120400 3971.7963 20461.8779 14513.4136 243.5298 -203493.2160 2731.6473 0.0000 0.0000 52089.3561 -109481.5950 299.3582 -161570.9511 -109116.6977 298.8934 35.1670 67.9341 762366.7406 7.4585 7.3086 PRESSURE: 2120600 -90.3489 -186.584 -64.3637 -186.586 139.104 -228.271 -64.3642 -228.272 -376.43 GPRESSURE: 2120600 -51.6815 -138.353 -54.0908 -116.994 127.821 -121.398 -7.0154 -303.656 -316.464 PRESSAVG: 2120600 17.8094 -17.2354 -9.02147 -17.2354 -55.0177 26.8406 -9.02143 26.8407 -9.05068 GPRESSAVG: 2120600 17.6002 -14.4526 -11.6169 -17.1978 -55.6877 27.1595 -7.15017 25.9809 -8.37266 TIMING: 2120600 CPU: 6702.66, 0.00315136/step Wall: 6702.66, 0.00315136/step, 2.52056 hours remaining, 236.996094 MB of memory in use. ENERGY: 2120600 4081.1526 20519.0505 14452.0122 223.0492 -203462.9579 2712.3797 0.0000 0.0000 52033.6811 -109441.6327 299.0383 -161475.3138 -109080.1306 299.5126 -109.2250 -80.1081 763489.6595 -15.4196 -15.4867 PRESSURE: 2120800 -39.5424 33.4033 191.272 33.4045 119.745 -3.57556 191.272 -3.57615 -111.685 GPRESSURE: 2120800 0.684226 57.9546 224.072 8.61717 206.861 78.9551 88.4368 72.4024 -175.069 PRESSAVG: 2120800 17.6536 -78.6214 -32.2512 -78.6213 -25.4193 53.813 -32.2512 53.813 -1.10292 GPRESSAVG: 2120800 16.745 -81.457 -30.3715 -79.1562 -24.2348 51.6987 -33.8767 55.2192 -2.15115 TIMING: 2120800 CPU: 6703.29, 0.00316065/step Wall: 6703.29, 0.00316065/step, 2.52782 hours remaining, 236.996094 MB of memory in use. ENERGY: 2120800 3998.8782 20539.4405 14440.9470 243.7308 -203682.5268 2898.7302 0.0000 0.0000 52242.1788 -109318.6212 300.2365 -161560.8001 -108958.2238 299.1649 -10.4942 10.8256 762196.5394 -2.9562 -3.2136 PRESSURE: 2121000 96.5853 -85.4152 16.9611 -85.4149 264.27 199.216 16.9608 199.216 76.1985 GPRESSURE: 2121000 205.032 -195.585 -61.5923 -86.0223 185.705 138.199 5.50836 221.435 140.697 PRESSAVG: 2121000 8.08183 -19.3918 -24.2875 -19.3918 27.6179 -41.866 -24.2876 -41.866 9.83609 GPRESSAVG: 2121000 7.31789 -18.3322 -26.1923 -18.2081 26.692 -39.5571 -23.7783 -42.7913 11.1794 TIMING: 2121000 CPU: 6703.92, 0.0031419/step Wall: 6703.92, 0.0031419/step, 2.51265 hours remaining, 236.996094 MB of memory in use. ENERGY: 2121000 3977.4734 20651.2580 14541.9297 250.7726 -203761.1857 2946.0365 0.0000 0.0000 51906.6778 -109487.0376 298.3084 -161393.7154 -109128.8882 299.3382 145.6845 177.1446 761367.0786 15.1786 15.0631 PRESSURE: 2121200 -126.282 -95.5836 -203.928 -95.583 -211.265 -39.6972 -203.928 -39.6965 -62.9139 GPRESSURE: 2121200 -9.80957 -79.971 -220.643 49.6424 -286.695 -100.399 -67.0867 -19.9013 -21.4665 PRESSAVG: 2121200 -35.2015 -82.7249 -11.2691 -82.725 23.6423 -18.3646 -11.2691 -18.3646 -2.6192 GPRESSAVG: 2121200 -34.8997 -82.965 -9.20113 -84.705 24.0891 -19.9191 -10.5993 -19.6113 -3.48471 TIMING: 2121200 CPU: 6704.55, 0.00315941/step Wall: 6704.55, 0.00315941/step, 2.52647 hours remaining, 236.996094 MB of memory in use. ENERGY: 2121200 4046.0651 20698.0170 14509.4433 242.2503 -203632.8037 2573.6985 0.0000 0.0000 52186.9307 -109376.3989 299.9190 -161563.3296 -109021.1138 299.3377 -133.4868 -105.9904 761415.4029 -4.7261 -4.7651 PRESSURE: 2121400 -79.6303 -229.025 17.8722 -229.026 100.855 24.925 17.8718 24.9245 -182.205 GPRESSURE: 2121400 -56.1508 -181.858 122.074 -271.217 84.1408 82.3361 156.086 -47.2392 -107.142 PRESSAVG: 2121400 43.2818 -25.4212 13.6499 -25.4212 -66.1465 21.1159 13.6498 21.1159 -8.52356 GPRESSAVG: 2121400 43.3505 -24.2946 12.806 -24.5325 -66.0145 20.5453 13.8309 22.5475 -8.60991 TIMING: 2121400 CPU: 6705.18, 0.00313841/step Wall: 6705.18, 0.00313841/step, 2.50951 hours remaining, 236.996094 MB of memory in use. ENERGY: 2121400 3944.7196 20539.8053 14523.9973 240.4071 -203415.5604 2607.1344 0.0000 0.0000 52067.1316 -109492.3650 299.2305 -161559.4966 -109128.6960 299.0148 -53.6600 -26.3841 762466.4099 -10.4628 -10.4246 PRESSURE: 2121600 -24.912 -113.326 -396.8 -113.326 -146.023 -45.7126 -396.8 -45.7117 -196.347 GPRESSURE: 2121600 -51.9691 -93.2302 -283.362 -125.318 -56.7834 -141.977 -320.149 -108.492 -173.095 PRESSAVG: 2121600 -21.7035 -67.5528 41.9692 -67.5528 22.7003 -34.8686 41.9692 -34.8687 -10.169 GPRESSAVG: 2121600 -21.1738 -67.2574 43.7687 -67.326 22.1044 -34.3086 41.2638 -34.7358 -10.0091 TIMING: 2121600 CPU: 6705.81, 0.00313977/step Wall: 6705.81, 0.00313977/step, 2.51042 hours remaining, 236.996094 MB of memory in use. ENERGY: 2121600 4024.1199 20484.8228 14505.8902 245.9891 -203555.4592 2773.8258 0.0000 0.0000 52085.3953 -109435.4160 299.3355 -161520.8114 -109064.2161 298.8298 -122.4273 -93.9493 762677.9892 -3.0574 -3.0262 PRESSURE: 2121800 59.5056 36.8377 224.597 36.837 141.801 -57.8069 224.597 -57.8071 -163.77 GPRESSURE: 2121800 159.033 -100.738 174.509 -103.587 78.8104 -86.3014 99.8169 -71.3308 -114.594 PRESSAVG: 2121800 -11.6907 -28.0087 -25.9792 -28.0087 20.6699 15.314 -25.9793 15.3138 -8.75416 GPRESSAVG: 2121800 -12.8603 -29.2077 -27.5995 -28.6312 21.6702 16.3673 -26.978 15.022 -8.6598 TIMING: 2121800 CPU: 6706.43, 0.00313045/step Wall: 6706.43, 0.00313045/step, 2.50279 hours remaining, 236.996094 MB of memory in use. ENERGY: 2121800 4040.3372 20445.4611 14442.4452 254.3667 -203325.8480 2682.6944 0.0000 0.0000 52108.2336 -109352.3098 299.4667 -161460.5434 -108985.6393 299.1282 12.5120 41.0829 763217.5562 0.0750 0.0500 PRESSURE: 2122000 12.9098 -169.155 -110.087 -169.155 -165.931 -68.3281 -110.087 -68.328 346.91 GPRESSURE: 2122000 -7.89453 -170.855 -194.741 -173.613 -51.4726 -49.7006 21.8938 -111.967 338.493 PRESSAVG: 2122000 -27.5313 6.44919 -40.7591 6.44912 32.7563 17.5723 -40.7592 17.5723 32.5288 GPRESSAVG: 2122000 -27.7713 5.79612 -38.8412 8.13636 32.4483 18.4548 -41.6252 17.192 33.2027 TIMING: 2122000 CPU: 6707.06, 0.00313584/step Wall: 6707.06, 0.00313584/step, 2.50693 hours remaining, 236.996094 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: 2122000 3986.1851 20404.2116 14470.8239 230.8420 -203244.7445 2503.5642 0.0000 0.0000 52128.9805 -109520.1373 299.5860 -161649.1178 -109160.3562 299.3780 64.6296 93.0419 762957.8444 12.5846 12.6265 PRESSURE: 2122200 -4.61863 -109.416 -102.817 -109.415 -164.004 7.7952 -102.816 7.79499 -10.6386 GPRESSURE: 2122200 48.7691 -79.1471 -130.294 -136.823 -84.7165 1.00968 -122.441 7.25125 -54.8464 PRESSAVG: 2122200 -1.83939 -15.7225 -51.4634 -15.7224 51.7368 -29.2393 -51.4634 -29.2394 -6.63088 GPRESSAVG: 2122200 -1.04083 -14.0096 -53.5112 -16.7541 51.457 -30.4771 -48.9814 -29.6919 -7.42781 TIMING: 2122200 CPU: 6707.69, 0.00312986/step Wall: 6707.69, 0.00312986/step, 2.50197 hours remaining, 236.996094 MB of memory in use. ENERGY: 2122200 3983.2053 20516.1929 14496.1576 246.1055 -202608.7621 2145.5284 0.0000 0.0000 51972.3705 -109249.2019 298.6859 -161221.5724 -108889.0329 299.3022 -59.7538 -30.2646 761599.9446 14.4222 14.3295 PRESSURE: 2122400 -93.9077 -67.3935 109.283 -67.3939 30.6132 -186.564 109.283 -186.564 -73.7894 GPRESSURE: 2122400 -28.4143 -86.2722 125.464 50.8632 84.4022 -199.745 12.4434 -145.12 -104.668 PRESSAVG: 2122400 24.1437 -70.0404 13.8099 -70.0404 -21.9427 -3.78377 13.8098 -3.78372 6.73378 GPRESSAVG: 2122400 25.1198 -71.7098 14.2127 -68.0177 -22.3665 -3.24422 10.2073 -3.53651 5.29829 TIMING: 2122400 CPU: 6708.32, 0.00314282/step Wall: 6708.32, 0.00314282/step, 2.51216 hours remaining, 236.996094 MB of memory in use. ENERGY: 2122400 3930.9070 20676.8868 14535.6943 263.2623 -203284.0717 2627.7269 0.0000 0.0000 51814.9130 -109434.6814 297.7810 -161249.5943 -109077.0227 299.2109 -45.6946 -16.2266 761638.5942 2.9783 2.6838 PRESSURE: 2122600 192.999 -41.8894 -192.455 -41.8898 -25.7612 194.822 -192.455 194.823 27.6631 GPRESSURE: 2122600 217.606 -44.4281 -172.67 -71.5615 20.4571 112.76 -120.213 136.858 48.1047 PRESSAVG: 2122600 16.7859 -44.5433 -22.3338 -44.5433 -29.7365 18.7952 -22.3338 18.7953 -24.7061 GPRESSAVG: 2122600 14.8456 -45.3932 -21.855 -48.461 -30.2498 17.258 -20.8415 18.7933 -22.4563 TIMING: 2122600 CPU: 6708.95, 0.00315006/step Wall: 6708.95, 0.00315006/step, 2.51778 hours remaining, 236.996094 MB of memory in use. ENERGY: 2122600 3926.9547 20504.9169 14538.6344 250.8370 -203005.3327 2659.8311 0.0000 0.0000 51927.8866 -109196.2720 298.4303 -161124.1586 -108840.0812 299.0229 64.9669 95.3892 763332.0977 -12.5522 -12.6202 PRESSURE: 2122800 -15.9646 100.861 -102.558 100.861 -154.113 106.612 -102.558 106.612 -266.227 GPRESSURE: 2122800 -17.1502 159.244 40.1012 40.0713 -107.593 160.292 15.2446 -6.29334 -228.441 PRESSAVG: 2122800 13.1505 -39.7763 -8.12693 -39.7763 -19.1146 26.3888 -8.12697 26.3888 10.2126 GPRESSAVG: 2122800 12.446 -35.8078 -7.34812 -40.799 -17.3689 26.0439 -7.61938 26.8239 8.87552 TIMING: 2122800 CPU: 6709.57, 0.00314557/step Wall: 6709.57, 0.00314557/step, 2.51401 hours remaining, 236.996094 MB of memory in use. ENERGY: 2122800 3956.5472 20492.2899 14529.4913 244.5700 -203284.5797 2699.5826 0.0000 0.0000 52105.9677 -109256.1311 299.4537 -161362.0988 -108907.1437 299.6628 -145.4349 -117.7281 764046.9114 1.4162 1.3176 PRESSURE: 2123000 -66.9033 -305.019 -139.153 -305.019 211.464 62.4295 -139.153 62.4299 -269.927 GPRESSURE: 2123000 -8.21088 -225.015 -290.836 -285.673 242.468 40.2967 -179.659 -18.6349 -275.122 PRESSAVG: 2123000 -32.7265 -71.6912 -13.6916 -71.6911 -7.31212 -23.3789 -13.6916 -23.3789 -9.86963 GPRESSAVG: 2123000 -30.376 -72.7231 -15.8715 -70.267 -9.36913 -22.0138 -13.6013 -23.2197 -9.70348 TIMING: 2123000 CPU: 6710.2, 0.00314279/step Wall: 6710.2, 0.00314279/step, 2.51161 hours remaining, 236.996094 MB of memory in use. ENERGY: 2123000 4050.4530 20467.1115 14447.6020 259.4003 -203255.9855 2542.8478 0.0000 0.0000 52253.2887 -109235.2820 300.3004 -161488.5707 -108870.6498 299.4459 -41.7888 -13.6216 762597.1340 -16.6361 -16.4829 PRESSURE: 2123200 -147.446 34.3682 82.0322 34.369 96.3589 112.796 82.0329 112.796 63.4053 GPRESSURE: 2123200 -76.0174 -1.18264 35.2213 114.036 78.2783 132.453 103.687 183.359 74.9032 PRESSAVG: 2123200 -12.4422 14.7647 -12.0059 14.7647 40.4229 6.53397 -12.0059 6.53403 -5.17331 GPRESSAVG: 2123200 -13.4692 13.9588 -12.1029 15.8939 39.8098 6.6765 -12.1342 6.10561 -4.33237 TIMING: 2123200 CPU: 6710.83, 0.00312878/step Wall: 6710.83, 0.00312878/step, 2.50024 hours remaining, 236.996094 MB of memory in use. ENERGY: 2123200 3937.2678 20478.2282 14503.2605 262.8993 -203463.8034 2886.4075 0.0000 0.0000 52239.3402 -109156.3998 300.2202 -161395.7401 -108796.8679 299.4347 4.1059 25.7214 762093.6528 7.6024 7.3361 PRESSURE: 2123400 -279.442 -30.4738 -227.012 -30.4745 497.565 168.518 -227.013 168.519 -28.3295 GPRESSURE: 2123400 -246.67 -54.47 -102.403 -79.4588 475.822 77.9631 -115.094 214.915 42.1908 PRESSAVG: 2123400 -63.3415 -8.61522 -23.6772 -8.61515 98.8347 47.5906 -23.6773 47.5906 16.9543 GPRESSAVG: 2123400 -65.4593 -8.2478 -22.1944 -9.40944 101.016 47.3882 -22.2012 47.1113 17.4624 TIMING: 2123400 CPU: 6711.46, 0.00313694/step Wall: 6711.46, 0.00313694/step, 2.50659 hours remaining, 236.996094 MB of memory in use. ENERGY: 2123400 3992.4071 20520.1346 14574.4679 258.5521 -203363.2205 2863.0359 0.0000 0.0000 52247.1383 -108907.4846 300.2650 -161154.6229 -108535.2261 299.7762 63.2647 90.4478 761781.8750 17.4825 17.6730 PRESSURE: 2123600 -167.954 -26.4177 57.8894 -26.4174 -263.215 131.058 57.8883 131.058 340.553 GPRESSURE: 2123600 -127.512 10.8165 137.253 -98.5002 -263.52 154.672 -128.821 119.237 395.533 PRESSAVG: 2123600 -48.4367 -49.2426 -52.0858 -49.2426 35.6669 12.8045 -52.0859 12.8044 -5.25384 GPRESSAVG: 2123600 -44.8322 -49.2348 -51.8551 -50.3779 34.1089 13.4444 -55.8774 11.45 -7.30736 TIMING: 2123600 CPU: 6712.08, 0.00313759/step Wall: 6712.08, 0.00313759/step, 2.50694 hours remaining, 236.996094 MB of memory in use. ENERGY: 2123600 3957.2402 20619.4273 14553.9674 270.1604 -202999.3220 2538.7637 0.0000 0.0000 52251.9689 -108807.7941 300.2928 -161059.7630 -108440.2324 301.1091 -30.2054 1.5004 761945.7935 -6.0079 -6.0102 PRESSURE: 2123800 -401.022 175.173 182.08 175.173 -302.34 -158.719 182.079 -158.719 4.26195 GPRESSURE: 2123800 -331.751 100.992 254.581 227.234 -294.373 -182.525 365.759 -192.308 -0.115128 PRESSAVG: 2123800 -15.8765 -34.1321 -51.36 -34.1321 -14.0621 42.4651 -51.36 42.465 8.69421 GPRESSAVG: 2123800 -17.6984 -35.5337 -53.5697 -32.0602 -13.5618 41.4577 -46.241 42.4322 10.3196 TIMING: 2123800 CPU: 6712.71, 0.00314175/step Wall: 6712.71, 0.00314175/step, 2.51008 hours remaining, 236.996094 MB of memory in use. ENERGY: 2123800 3987.0798 20547.1921 14513.0554 263.5685 -202758.6322 2376.7941 0.0000 0.0000 52332.7912 -108738.1511 300.7573 -161070.9423 -108377.3414 300.4034 -233.0334 -208.7461 762151.1476 -7.0815 -6.9802 PRESSURE: 2124000 -104.328 -45.2038 106.965 -45.2037 97.0354 -169.431 106.966 -169.433 227.239 GPRESSURE: 2124000 -31.8553 -34.5106 81.5881 -38.8048 121.826 -209.61 119.374 -64.8394 215.268 PRESSAVG: 2124000 -29.959 -43.852 25.3355 -43.852 8.7949 -6.38755 25.3355 -6.3875 -14.9971 GPRESSAVG: 2124000 -29.9991 -44.8933 26.6978 -42.8804 9.18697 -5.15259 23.9144 -4.58636 -14.9381 TIMING: 2124000 CPU: 6713.34, 0.00313301/step Wall: 6713.34, 0.00313301/step, 2.50292 hours remaining, 236.996094 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: 2124000 3972.3082 20568.0321 14535.4160 245.0052 -203148.5204 2438.8564 0.0000 0.0000 52498.1322 -108890.7704 301.7075 -161388.9026 -108523.0478 300.3250 73.3152 101.7461 761098.6472 -12.0538 -11.9167 PRESSURE: 2124200 163.583 -88.52 52.7888 -88.5201 100.994 63.1406 52.7885 63.1401 91.6013 GPRESSURE: 2124200 261.226 58.2352 72.2735 -102.487 86.6765 66.0988 3.61467 71.8703 110.76 PRESSAVG: 2124200 24.4148 -59.9254 -10.9924 -59.9254 40.0246 -40.7578 -10.9924 -40.7577 21.2517 GPRESSAVG: 2124200 23.8717 -55.8194 -11.0264 -64.6075 40.8736 -40.365 -12.8507 -41.3079 21.1285 TIMING: 2124200 CPU: 6713.97, 0.00314917/step Wall: 6713.97, 0.00314917/step, 2.51566 hours remaining, 236.996094 MB of memory in use. ENERGY: 2124200 4006.6791 20599.9122 14596.9624 262.8984 -202924.4860 2442.0077 0.0000 0.0000 52074.8607 -108941.1655 299.2749 -161016.0262 -108579.6557 300.1218 118.7262 152.8874 761180.4847 28.5637 28.6246 LDB: ============= START OF LOAD BALANCING ============== 6726.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6726.5 LDB: =============== DONE WITH MIGRATION ================ 6726.5 LDB: ============= START OF LOAD BALANCING ============== 6726.82 LDB: Largest compute 7060 load 0.029822 is 15.3% of average load 0.195369 LDB: Average compute 0.004385 is 2.2% of average load 0.195369 LDB: TIME 6726.82 LOAD: AVG 0.195369 MAX 0.219669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.988 MB LDB: TIME 6726.82 LOAD: AVG 0.195369 MAX 0.219669 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: TIME 6726.82 LOAD: AVG 0.195369 MAX 0.21698 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.062 MB LDB: ============== END OF LOAD BALANCING =============== 6726.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6726.83 PRESSURE: 2124400 -84.2816 126.966 -135.363 126.966 -44.6818 153.817 -135.363 153.816 189.427 GPRESSURE: 2124400 -3.49861 186.48 -78.6915 150.313 -11.0593 149.777 -100.589 135.748 147.762 PRESSAVG: 2124400 -7.41151 9.4438 34.6752 9.44376 5.91081 10.8153 34.6752 10.8154 -18.618 GPRESSAVG: 2124400 -6.18475 8.49913 35.8947 12.8777 4.37149 10.8904 34.152 11.4581 -18.2376 TIMING: 2124400 CPU: 6714.61, 0.00321819/step Wall: 6714.61, 0.00321819/step, 2.57062 hours remaining, 234.531250 MB of memory in use. ENERGY: 2124400 4038.3950 20548.7060 14499.1005 245.6796 -203022.8724 2687.4408 0.0000 0.0000 52106.9361 -108896.6142 299.4593 -161003.5504 -108541.7953 299.9784 20.1547 44.4014 762838.4862 -6.7062 -6.6836 PRESSURE: 2124600 -122.78 -272.147 -189.585 -272.147 -54.8301 -138.868 -189.584 -138.867 -161.786 GPRESSURE: 2124600 -24.4002 -265.62 -272.283 -25.8365 -27.7328 -153.542 84.1816 -223.556 -215.16 PRESSAVG: 2124600 -58.3667 -34.4569 -1.88997 -34.457 16.513 0.991673 -1.88994 0.991721 3.85961 GPRESSAVG: 2124600 -58.2634 -34.4237 -3.42644 -34.1111 17.0548 -0.215665 0.952917 1.6865 3.35906 TIMING: 2124600 CPU: 6715.24, 0.00314071/step Wall: 6715.24, 0.00314071/step, 2.50855 hours remaining, 234.804688 MB of memory in use. ENERGY: 2124600 3880.8689 20583.5722 14461.2478 246.8113 -202247.8564 2171.1763 0.0000 0.0000 51964.2291 -108939.9508 298.6391 -160904.1799 -108564.6622 299.7002 -113.1319 -89.0977 763512.8231 -12.6647 -12.6165 PRESSURE: 2124800 -259.642 -242.712 40.4627 -242.712 -72.4617 -41.3472 40.4621 -41.3458 -198.311 GPRESSURE: 2124800 -171.147 -220.319 65.3711 -231.538 -12.0215 26.3485 -36.5335 -35.5235 -245.328 PRESSAVG: 2124800 29.0158 -32.0528 -10.3776 -32.0528 -39.4897 -9.36326 -10.3777 -9.36322 -7.55012 GPRESSAVG: 2124800 29.1473 -32.5911 -10.8431 -31.0904 -40.0216 -8.32069 -10.6226 -9.1719 -6.44492 TIMING: 2124800 CPU: 6715.87, 0.00313121/step Wall: 6715.87, 0.00313121/step, 2.50079 hours remaining, 234.804688 MB of memory in use. ENERGY: 2124800 3992.4889 20602.8730 14452.1791 270.2386 -202874.0959 2395.1033 0.0000 0.0000 52306.7418 -108854.4713 300.6076 -161161.2131 -108487.9175 299.9913 -176.8050 -142.8324 762185.1093 -6.0080 -5.7731 PRESSURE: 2125000 335.951 -151.806 130.186 -151.805 -97.4152 123.844 130.187 123.843 -76.3678 GPRESSURE: 2125000 291.373 -9.917 36.9674 -199.992 59.6004 103.98 130.718 114.607 -108.513 PRESSAVG: 2125000 6.86667 -41.9858 -32.9517 -41.9859 -17.4397 -42.155 -32.9516 -42.1551 26.0717 GPRESSAVG: 2125000 6.85264 -43.552 -31.3791 -41.4984 -16.4202 -42.4813 -33.8559 -43.8692 25.2275 TIMING: 2125000 CPU: 6716.49, 0.00313516/step Wall: 6716.49, 0.00313516/step, 2.50378 hours remaining, 234.804688 MB of memory in use. ENERGY: 2125000 3967.9141 20676.8363 14653.9446 244.6042 -203413.4216 2913.6288 0.0000 0.0000 52135.4766 -108821.0171 299.6233 -160956.4937 -108465.6284 300.0973 54.0561 80.8203 762841.3329 5.1662 5.2200 PRESSURE: 2125200 -7.66497 136.632 -82.4224 136.633 185.838 -49.8276 -82.4222 -49.8276 190.7 GPRESSURE: 2125200 171.138 59.9043 1.90522 95.4617 65.6772 31.1101 -42.1966 -90.2699 207.451 PRESSAVG: 2125200 26.9948 17.4293 6.58259 17.4293 -53.079 -17.7289 6.58264 -17.729 17.4337 GPRESSAVG: 2125200 27.2728 18.7505 7.47263 15.1821 -53.8741 -17.3516 5.36257 -20.108 17.6707 TIMING: 2125200 CPU: 6717.12, 0.00312592/step Wall: 6717.12, 0.00312592/step, 2.49622 hours remaining, 234.804688 MB of memory in use. ENERGY: 2125200 3942.6762 20561.5106 14516.4042 244.4905 -202536.5321 2340.7718 0.0000 0.0000 52179.1434 -108751.5355 299.8743 -160930.6789 -108389.4839 300.3785 122.9576 148.0889 761978.3798 -2.8835 -2.9769 PRESSURE: 2125400 25.1524 -6.50826 -173.188 -6.509 -260.783 28.8999 -173.189 28.8997 -322.612 GPRESSURE: 2125400 -34.1854 71.79 -171.707 29.7253 -152.387 33.0753 -191.021 73.9768 -292.404 PRESSAVG: 2125400 25.5241 -29.3997 19.1089 -29.3998 -3.59541 7.75159 19.1089 7.75159 -10.3175 GPRESSAVG: 2125400 24.6155 -28.822 18.0125 -28.3258 -3.9325 5.9834 20.4602 11.5988 -9.75757 TIMING: 2125400 CPU: 6717.75, 0.00313448/step Wall: 6717.75, 0.00313448/step, 2.50288 hours remaining, 234.804688 MB of memory in use. ENERGY: 2125400 4029.9549 20580.9869 14468.3791 236.5234 -202811.7665 2621.1142 0.0000 0.0000 52044.2335 -108830.5744 299.0989 -160874.8079 -108464.8511 300.4124 -186.0809 -159.6589 761865.3537 3.8704 3.6418 PRESSURE: 2125600 -15.3946 -221.052 -198.104 -221.052 -268.249 21.2675 -198.105 21.2666 249.996 GPRESSURE: 2125600 44.5766 -77.6948 -246.505 -199.675 -247.064 24.5063 -108.812 -27.471 227.951 PRESSAVG: 2125600 9.3482 -10.0623 -1.74063 -10.0623 19.1602 43.5504 -1.74061 43.5504 20.4165 GPRESSAVG: 2125600 8.70363 -9.19196 -0.720821 -9.19841 20.3655 43.0063 -3.12081 43.7853 20.3136 TIMING: 2125600 CPU: 6718.37, 0.00313019/step Wall: 6718.37, 0.00313019/step, 2.49928 hours remaining, 235.007812 MB of memory in use. ENERGY: 2125600 3995.0501 20518.2574 14506.3772 237.4253 -203175.2980 2591.6572 0.0000 0.0000 52642.9296 -108683.6013 302.5396 -161326.5308 -108316.7064 300.5247 -11.2159 8.4878 762731.0387 16.3083 16.4609 PRESSURE: 2125800 293.564 203.628 20.5894 203.628 162.794 222.86 20.5889 222.86 85.27 GPRESSURE: 2125800 299.83 152.401 -56.4769 104.591 191.902 234.479 56.7832 130.863 136.96 PRESSAVG: 2125800 33.1181 -22.6912 31.8402 -22.6912 -39.6079 -17.4841 31.8401 -17.4841 -12.1253 GPRESSAVG: 2125800 34.2778 -26.0467 31.7155 -22.7196 -39.6127 -15.4663 31.3119 -19.1457 -13.2655 TIMING: 2125800 CPU: 6719, 0.00312743/step Wall: 6719, 0.00312743/step, 2.4969 hours remaining, 235.007812 MB of memory in use. ENERGY: 2125800 3974.3277 20548.8237 14524.0931 255.9887 -203453.7616 2939.0569 0.0000 0.0000 52222.5112 -108988.9602 300.1235 -161211.4714 -108618.7030 300.6025 180.5428 209.5639 761746.0248 -6.2050 -6.2001 PRESSURE: 2126000 344.536 -75.3386 -44.0415 -75.3394 361.538 -63.293 -44.0417 -63.2935 58.0379 GPRESSURE: 2126000 335.224 -97.5162 -2.60425 -18.6301 366.685 -81.6358 -65.2994 -31.54 139.694 PRESSAVG: 2126000 -16.9635 -24.7467 6.76447 -24.7467 30.2991 -3.06784 6.76446 -3.06776 7.61528 GPRESSAVG: 2126000 -16.6081 -21.7058 5.25254 -26.1938 29.2421 -3.47523 8.84798 -3.42877 8.3643 TIMING: 2126000 CPU: 6719.63, 0.00314238/step Wall: 6719.63, 0.00314238/step, 2.50867 hours remaining, 235.007812 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: 2126000 4002.7926 20695.0631 14591.1919 247.8298 -203577.5081 2935.3748 0.0000 0.0000 52113.5259 -108991.7300 299.4971 -161105.2559 -108627.4614 299.9484 254.7041 280.5345 761218.4825 6.9836 6.9994 PRESSURE: 2126200 125.177 -9.12862 155.293 -9.12859 218.192 28.5802 155.293 28.5809 326.938 GPRESSURE: 2126200 179.903 -86.409 185.036 8.64505 203.96 20.6295 44.8502 -25.107 367.645 PRESSAVG: 2126200 -1.51943 -16.5813 -33.4305 -16.5813 -35.9397 -38.9229 -33.4305 -38.9229 -36.8397 GPRESSAVG: 2126200 -2.32849 -18.7548 -33.5756 -14.0922 -35.2804 -38.8928 -35.6673 -36.6467 -36.0473 TIMING: 2126200 CPU: 6720.26, 0.0031532/step Wall: 6720.26, 0.0031532/step, 2.51713 hours remaining, 235.007812 MB of memory in use. ENERGY: 2126200 3963.3966 20494.4636 14528.8512 233.0269 -203406.9331 2827.6092 0.0000 0.0000 52462.5594 -108897.0262 301.5031 -161359.5856 -108532.9514 300.1909 223.4358 250.5027 762546.0387 -24.7663 -24.5520 PRESSURE: 2126400 -181.571 97.4698 -43.8808 97.4693 -57.3989 -17.0743 -43.8811 -17.0737 314.864 GPRESSURE: 2126400 -45.5453 171.882 -71.804 125.143 -52.8443 28.4365 -35.7499 2.69485 272.845 PRESSAVG: 2126400 85.2906 -48.823 3.36255 -48.823 -88.4348 30.9788 3.36252 30.9788 -6.73457 GPRESSAVG: 2126400 84.3871 -47.8903 4.48027 -50.2902 -86.9335 30.6293 3.97427 29.8836 -7.30365 TIMING: 2126400 CPU: 6720.89, 0.00315281/step Wall: 6720.89, 0.00315281/step, 2.51664 hours remaining, 235.007812 MB of memory in use. ENERGY: 2126400 4022.8452 20595.4501 14504.3239 243.4743 -203053.3951 2564.1576 0.0000 0.0000 52200.4468 -108922.6972 299.9967 -161123.1440 -108567.0188 299.8938 25.2978 58.1519 761838.1108 -3.2929 -3.2833 PRESSURE: 2126600 160.562 138.471 -34.9072 138.471 248.93 -64.0301 -34.9073 -64.0293 71.2677 GPRESSURE: 2126600 131.953 103.896 -22.6982 162.765 353.302 -61.3945 51.9804 -16.5911 84.1313 PRESSAVG: 2126600 28.6192 -73.0492 -20.0832 -73.0492 -35.1168 -30.2531 -20.0832 -30.253 -19.4289 GPRESSAVG: 2126600 29.4669 -72.7483 -20.015 -73.6857 -36.2309 -29.7106 -18.5118 -29.1005 -19.3108 TIMING: 2126600 CPU: 6721.52, 0.00314458/step Wall: 6721.52, 0.00314458/step, 2.5099 hours remaining, 235.007812 MB of memory in use. ENERGY: 2126600 3945.2827 20659.5863 14527.8021 223.6865 -203249.7385 2720.4232 0.0000 0.0000 52059.8373 -109113.1204 299.1886 -161172.9578 -108760.9064 299.8051 160.2530 189.7957 760706.1301 -8.6422 -8.6916 PRESSURE: 2126800 -247.183 18.0884 -16.7993 18.0885 109.314 -129.115 -16.7996 -129.114 52.5703 GPRESSURE: 2126800 -237.318 188.462 88.9368 -3.95531 160.647 -44.0814 51.8658 -214.154 76.0004 PRESSAVG: 2126800 35.6337 -2.31436 35.6159 -2.31445 19.5166 1.30056 35.6159 1.30057 3.50073 GPRESSAVG: 2126800 35.1592 -1.71297 34.705 -1.75386 21.5251 1.67046 35.2754 0.475074 2.11981 TIMING: 2126800 CPU: 6722.14, 0.00312256/step Wall: 6722.14, 0.00312256/step, 2.49215 hours remaining, 235.007812 MB of memory in use. ENERGY: 2126800 4000.3247 20694.3221 14505.6699 255.2926 -203352.5115 2555.0593 0.0000 0.0000 51987.8183 -109354.0245 298.7747 -161341.8428 -108979.5868 299.7127 -28.4330 -0.2235 761298.0821 19.5503 19.6014 PRESSURE: 2127000 -24.583 -167.492 33.7209 -167.491 -196.449 -40.9781 33.7215 -40.9776 -261.894 GPRESSURE: 2127000 -53.2447 -139.671 66.4764 -121.254 -127.999 -68.2569 -120.637 -117.865 -205.744 PRESSAVG: 2127000 -49.5865 8.04899 -24.5518 8.04896 54.5483 -38.8706 -24.5518 -38.8706 6.06625 GPRESSAVG: 2127000 -48.6246 6.96743 -24.7286 7.75896 53.3698 -40.3317 -26.2371 -40.3814 6.54421 TIMING: 2127000 CPU: 6722.77, 0.00314985/step Wall: 6722.77, 0.00314985/step, 2.51375 hours remaining, 235.007812 MB of memory in use. ENERGY: 2127000 3933.8963 20559.8765 14435.2911 233.6492 -203601.7207 2710.7173 0.0000 0.0000 52238.9982 -109489.2921 300.2182 -161728.2903 -109127.8918 299.4090 -160.9755 -128.9961 763018.5252 3.6760 3.7631 PRESSURE: 2127200 42.0946 119.334 16.1435 119.334 88.8397 82.7628 16.1432 82.7617 347.75 GPRESSURE: 2127200 131.481 106.112 9.67252 104.929 95.9794 64.7846 20.0945 81.0401 336.036 PRESSAVG: 2127200 8.80468 9.15353 -22.9274 9.1535 7.92626 27.3655 -22.9275 27.3655 28.5603 GPRESSAVG: 2127200 9.35243 8.42667 -22.0534 8.57547 7.8262 28.4604 -22.9587 27.4002 28.8781 TIMING: 2127200 CPU: 6723.4, 0.00314034/step Wall: 6723.4, 0.00314034/step, 2.50599 hours remaining, 235.007812 MB of memory in use. ENERGY: 2127200 3991.5050 20506.4006 14514.6331 253.7881 -203521.0876 2765.2031 0.0000 0.0000 52006.7701 -109482.7876 298.8836 -161489.5577 -109126.6781 299.0256 159.5615 187.8321 760638.3451 15.0971 15.3522 PRESSURE: 2127400 175.758 46.6494 -82.3616 46.6505 -22.7841 67.8097 -82.3621 67.8097 -270.265 GPRESSURE: 2127400 177.706 15.1396 6.7069 24.613 60.7691 62.4428 -121.203 108.413 -296.083 PRESSAVG: 2127400 15.2252 -30.6826 11.2723 -30.6826 -18.3574 -10.3642 11.2723 -10.3642 -13.8971 GPRESSAVG: 2127400 12.1662 -30.1584 10.2514 -30.4276 -17.4824 -11.224 10.8987 -9.08598 -12.8248 TIMING: 2127400 CPU: 6724.03, 0.00313242/step Wall: 6724.03, 0.00313242/step, 2.4995 hours remaining, 235.007812 MB of memory in use. ENERGY: 2127400 3906.3513 20547.1074 14510.2280 244.2766 -203378.7517 2572.2221 0.0000 0.0000 52051.7960 -109546.7705 299.1424 -161598.5665 -109181.5610 298.6555 -39.0970 -19.2026 762223.7726 -5.6765 -6.0470 PRESSURE: 2127600 -81.0648 -203.632 -82.7131 -203.632 -333.727 10.7224 -82.7131 10.7232 287.87 GPRESSURE: 2127600 -28.884 -98.9431 -113.698 -183.697 -309.851 -56.7261 17.0342 -91.8746 290.773 PRESSAVG: 2127600 64.9846 -50.5201 -47.4182 -50.5201 -27.6578 19.6268 -47.4181 19.6269 12.6556 GPRESSAVG: 2127600 67.3165 -52.2355 -48.6208 -48.3761 -28.8152 20.3848 -47.5754 17.7071 11.4454 TIMING: 2127600 CPU: 6724.65, 0.00313077/step Wall: 6724.65, 0.00313077/step, 2.49801 hours remaining, 235.210938 MB of memory in use. ENERGY: 2127600 4033.3396 20430.4285 14466.2063 237.5646 -203008.7999 2627.8895 0.0000 0.0000 51889.4845 -109323.8870 298.2096 -161213.3714 -108959.2711 298.8549 -42.3072 -15.9874 763232.8259 16.6608 16.6489 PRESSURE: 2127800 -410.594 216.164 -108.015 216.164 -324.647 20.8329 -108.014 20.8345 -58.9609 GPRESSURE: 2127800 -333.088 149.067 10.6304 204.279 -312.463 49.2465 -130.973 105.937 -70.3852 PRESSAVG: 2127800 -3.84117 6.57392 -0.465228 6.57399 -26.3255 26.9268 -0.465316 26.9268 3.80557 GPRESSAVG: 2127800 -4.42929 9.35582 1.80155 5.12154 -27.1945 26.5724 2.38635 27.0346 4.9903 TIMING: 2127800 CPU: 6725.28, 0.0031307/step Wall: 6725.28, 0.0031307/step, 2.49778 hours remaining, 235.210938 MB of memory in use. ENERGY: 2127800 3963.8361 20736.9531 14524.3519 253.3688 -203151.9820 2315.3174 0.0000 0.0000 52051.0006 -109307.1542 299.1378 -161358.1548 -108943.9852 298.9524 -264.7338 -238.6454 761698.3114 -8.7870 -8.8778 PRESSURE: 2128000 53.7679 121.151 100.438 121.151 -167.851 -284.094 100.438 -284.095 245.352 GPRESSURE: 2128000 39.3916 -9.41428 79.1571 29.9399 -100.54 -340.447 89.1756 -158.519 251.747 PRESSAVG: 2128000 -27.1005 -13.5068 -11.9059 -13.5068 -3.74429 7.70655 -11.9059 7.70647 8.74683 GPRESSAVG: 2128000 -26.1911 -14.823 -13.5471 -14.3539 -3.4424 8.67841 -12.8228 9.9351 7.82954 TIMING: 2128000 CPU: 6725.9, 0.00313729/step Wall: 6725.9, 0.00313729/step, 2.50286 hours remaining, 235.210938 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: 2128000 3975.6452 20675.3273 14490.9087 259.0500 -203044.4686 2521.8566 0.0000 0.0000 52060.7980 -109060.8830 299.1941 -161121.6809 -108703.7118 299.5947 43.7564 63.5330 761387.9188 -7.3660 -7.2680 PRESSURE: 2128200 -22.0011 -12.5148 -8.15564 -12.5142 -233.435 19.9805 -8.15599 19.9809 -310.422 GPRESSURE: 2128200 14.597 31.0409 8.48187 37.7417 -210.075 -14.4613 -19.202 100.804 -273.452 PRESSAVG: 2128200 -48.4211 -14.7644 4.89908 -14.7644 18.3188 4.9684 4.89904 4.96837 20.2026 GPRESSAVG: 2128200 -49.2757 -13.5361 5.22281 -13.9669 18.6972 3.78292 2.75788 3.44436 20.5451 TIMING: 2128200 CPU: 6726.53, 0.00313637/step Wall: 6726.53, 0.00313637/step, 2.50195 hours remaining, 235.210938 MB of memory in use. ENERGY: 2128200 4059.3464 20601.8350 14439.9777 252.1502 -203061.9889 2467.0839 0.0000 0.0000 52185.7977 -109055.7980 299.9125 -161241.5957 -108692.7436 299.8979 -188.6195 -156.3098 763053.2036 -3.2999 -3.3445 LDB: ============= START OF LOAD BALANCING ============== 6739.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6739.06 LDB: =============== DONE WITH MIGRATION ================ 6739.07 LDB: ============= START OF LOAD BALANCING ============== 6739.38 LDB: Largest compute 7057 load 0.029271 is 15.0% of average load 0.195516 LDB: Average compute 0.004409 is 2.3% of average load 0.195516 LDB: TIME 6739.38 LOAD: AVG 0.195516 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.031 MB LDB: TIME 6739.38 LOAD: AVG 0.195516 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 6739.38 LOAD: AVG 0.195516 MAX 0.216502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 6739.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6739.39 PRESSURE: 2128400 -244.311 32.6518 -93.6035 32.6526 -11.5957 40.1965 -93.6028 40.1956 86.6645 GPRESSURE: 2128400 -204.861 -10.5597 -32.104 -46.9078 3.71201 -46.2849 -136.362 71.9555 115.038 PRESSAVG: 2128400 55.1783 -31.8732 -46.6817 -31.8731 -9.74932 13.0806 -46.6817 13.0806 7.18772 GPRESSAVG: 2128400 55.2137 -32.9378 -46.3473 -32.1174 -9.82553 13.801 -45.8035 16.1923 6.7782 TIMING: 2128400 CPU: 6727.17, 0.00320653/step Wall: 6727.17, 0.00320653/step, 2.55775 hours remaining, 235.894531 MB of memory in use. ENERGY: 2128400 3989.0922 20671.8775 14476.2153 236.3079 -203648.8957 2532.3328 0.0000 0.0000 52361.7453 -109381.3247 300.9237 -161743.0699 -109011.1990 299.9357 -56.4140 -28.7037 761818.1314 17.5389 17.3888 PRESSURE: 2128600 150.876 -52.7104 -138.644 -52.71 98.794 -78.12 -138.644 -78.1208 168.018 GPRESSURE: 2128600 185.743 -119.722 -128.984 67.0902 76.9502 -47.2304 -143.863 -202.139 230.747 PRESSAVG: 2128600 -30.8084 -2.46685 -5.33087 -2.46682 78.2267 70.0265 -5.33084 70.0265 0.302989 GPRESSAVG: 2128600 -30.4199 -2.61766 -5.87972 -2.61212 78.6041 69.9727 -5.06672 68.1442 0.0798508 TIMING: 2128600 CPU: 6727.8, 0.00313067/step Wall: 6727.8, 0.00313066/step, 2.49705 hours remaining, 235.964844 MB of memory in use. ENERGY: 2128600 4043.1468 20626.2296 14460.0365 250.8701 -203744.7735 2800.3418 0.0000 0.0000 52271.3861 -109292.7626 300.4044 -161564.1487 -108932.5640 299.3545 139.2294 164.4800 760764.5794 15.9071 16.0880 PRESSURE: 2128800 -258.833 28.3335 -88.82 28.3344 -161.261 -126.556 -88.8205 -126.557 210.016 GPRESSURE: 2128800 -167.784 -41.9817 -36.0112 -42.4604 -124.92 -127.242 -101.312 -141.251 179.636 PRESSAVG: 2128800 -11.0912 9.90656 -23.5855 9.90652 -50.6307 37.4615 -23.5855 37.4615 -1.26679 GPRESSAVG: 2128800 -11.2022 10.1236 -22.0042 8.26469 -51.4392 35.8232 -23.874 37.1879 -0.843061 TIMING: 2128800 CPU: 6728.42, 0.00312661/step Wall: 6728.42, 0.00312661/step, 2.49365 hours remaining, 235.964844 MB of memory in use. ENERGY: 2128800 3981.1353 20757.8018 14484.0609 265.2169 -203750.3444 2941.1788 0.0000 0.0000 51904.7209 -109416.2298 298.2971 -161320.9506 -109062.4604 299.3351 -70.0258 -37.6893 762136.5580 -20.9963 -21.1615 PRESSURE: 2129000 -275.89 -58.4599 -158.912 -58.4594 -112.574 -208.417 -158.912 -208.417 -241.908 GPRESSURE: 2129000 -158.138 -41.9731 -134.26 -105.752 -148.612 -230.435 -298.889 -156.902 -260.158 PRESSAVG: 2129000 77.0583 -21.7726 -46.144 -21.7726 -84.0496 55.266 -46.144 55.266 -1.60853 GPRESSAVG: 2129000 76.5832 -19.5964 -48.2893 -21.8398 -83.057 56.076 -47.35 55.2911 -2.18104 TIMING: 2129000 CPU: 6729.05, 0.0031352/step Wall: 6729.05, 0.0031352/step, 2.50032 hours remaining, 235.964844 MB of memory in use. ENERGY: 2129000 4021.9187 20619.0979 14508.2231 238.1830 -203925.6662 2808.0903 0.0000 0.0000 52290.9602 -109439.1931 300.5169 -161730.1532 -109065.3179 299.2445 -210.1239 -188.9691 762142.6860 -2.8666 -2.8850 PRESSURE: 2129200 -282.924 -1.8691 -29.1138 -1.86912 -131.424 -118.156 -29.114 -118.156 -294.767 GPRESSURE: 2129200 -231.663 85.4532 69.5808 132.963 -145.102 -105.849 30.651 -100.911 -245.667 PRESSAVG: 2129200 37.3071 -23.5615 -60.9581 -23.5615 -2.88505 5.27279 -60.9581 5.27279 9.17676 GPRESSAVG: 2129200 38.7417 -26.0364 -58.8291 -21.9583 -4.0795 6.0167 -60.5242 6.04679 8.98988 TIMING: 2129200 CPU: 6729.68, 0.00314483/step Wall: 6729.68, 0.00314483/step, 2.50782 hours remaining, 235.964844 MB of memory in use. ENERGY: 2129200 4127.7963 20539.5152 14545.9534 246.6748 -203773.3918 2798.3863 0.0000 0.0000 51961.8680 -109553.1978 298.6256 -161515.0658 -109187.1219 299.5991 -236.3718 -207.4774 762392.9905 14.5329 14.5507 PRESSURE: 2129400 59.6039 -15.6222 246.152 -15.6219 -362.399 201.472 246.152 201.472 -394.6 GPRESSURE: 2129400 3.01318 -45.0407 225.3 -108.624 -255.404 177.441 173.498 38.0132 -344.374 PRESSAVG: 2129400 17.9772 4.52672 -7.90644 4.52674 -74.1672 41.175 -7.90644 41.175 -6.75375 GPRESSAVG: 2129400 16.5989 3.89589 -8.60643 5.32085 -73.9387 39.5032 -5.066 39.6894 -5.42687 TIMING: 2129400 CPU: 6730.31, 0.00313475/step Wall: 6730.31, 0.00313475/step, 2.49961 hours remaining, 235.964844 MB of memory in use. ENERGY: 2129400 4078.5966 20727.2749 14445.3377 244.8436 -203531.2262 2649.0167 0.0000 0.0000 51990.0397 -109396.1171 298.7875 -161386.1568 -109031.8177 299.1143 -232.4652 -198.9214 761344.9401 -20.9813 -20.9222 PRESSURE: 2129600 -24.4937 -282.815 8.06581 -282.813 -83.9257 -41.7343 8.06629 -41.7362 422.507 GPRESSURE: 2129600 46.1996 -312.088 -5.0245 -144.416 -75.7908 -1.13224 61.9983 83.68 423.277 PRESSAVG: 2129600 78.3758 -46.8816 8.9962 -46.8816 -59.2478 28.918 8.99624 28.918 -8.34764 GPRESSAVG: 2129600 78.8649 -47.0962 6.44369 -49.5758 -58.6456 27.8582 7.50516 30.3613 -9.5189 TIMING: 2129600 CPU: 6730.94, 0.00313767/step Wall: 6730.94, 0.00313767/step, 2.50177 hours remaining, 235.964844 MB of memory in use. ENERGY: 2129600 4041.4780 20769.1085 14453.8297 238.7741 -203827.0154 2687.3768 0.0000 0.0000 52208.7296 -109427.7187 300.0443 -161636.4483 -109060.1771 299.4040 104.6960 131.2287 760074.0619 3.5934 3.5668 PRESSURE: 2129800 -257.691 119.613 -218.435 119.614 -190.617 -188.399 -218.435 -188.397 -329.644 GPRESSURE: 2129800 -261.447 69.2725 -168.461 152.912 -200.991 -268.147 -258.945 -227.944 -212.671 PRESSAVG: 2129800 -0.563126 3.97756 -6.58755 3.97753 -28.6845 23.9648 -6.58762 23.9648 17.9743 GPRESSAVG: 2129800 -1.07726 5.56405 -4.80396 4.73726 -28.8511 26.9871 -9.02139 23.1568 18.1747 TIMING: 2129800 CPU: 6731.56, 0.0031455/step Wall: 6731.56, 0.0031455/step, 2.50784 hours remaining, 235.964844 MB of memory in use. ENERGY: 2129800 3967.8322 20651.4778 14512.4755 244.8988 -203709.7019 2895.6008 0.0000 0.0000 52206.7218 -109230.6949 300.0327 -161437.4167 -108867.3243 299.6976 -259.3173 -225.0365 762980.5626 -3.7578 -3.9179 PRESSURE: 2130000 -32.4914 -89.9829 -170.95 -89.9831 32.77 32.4936 -170.95 32.4928 -85.8993 GPRESSURE: 2130000 103.178 -26.7929 -170.633 -82.0423 2.56838 -134.537 -118.784 57.074 -101.145 PRESSAVG: 2130000 29.2847 -30.5854 -5.02227 -30.5854 -50.5724 -0.583534 -5.02231 -0.583481 -1.25967 GPRESSAVG: 2130000 29.3738 -32.5869 -5.24159 -31.5469 -50.0245 -1.20864 -3.65676 -0.626868 -1.51845 TIMING: 2130000 CPU: 6732.19, 0.00313507/step Wall: 6732.19, 0.00313507/step, 2.49935 hours remaining, 235.964844 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: 2130000 4015.3150 20518.6441 14502.5657 249.3750 -203163.3038 2701.3457 0.0000 0.0000 52142.8972 -109033.1610 299.6659 -161176.0582 -108674.4694 299.7908 -28.5402 1.5339 763085.8842 -7.5158 -7.3897 PRESSURE: 2130200 139.9 -20.3062 4.16367 -20.3069 -42.7182 133.828 4.16426 133.828 -257.397 GPRESSURE: 2130200 153.674 33.4868 76.6423 33.5873 22.7666 16.9328 -28.5515 278.147 -241.39 PRESSAVG: 2130200 39.6179 -5.21981 -6.89051 -5.21978 -14.3494 25.8896 -6.89047 25.8897 3.5969 GPRESSAVG: 2130200 40.4757 -2.70876 -7.32887 -3.00389 -14.0167 26.9518 -3.92847 25.1762 2.52372 TIMING: 2130200 CPU: 6732.82, 0.00315845/step Wall: 6732.82, 0.00315845/step, 2.51781 hours remaining, 235.964844 MB of memory in use. ENERGY: 2130200 4042.1844 20582.2489 14456.0679 239.7242 -202982.7031 2395.7599 0.0000 0.0000 52331.6292 -108935.0886 300.7506 -161266.7178 -108577.9519 300.3498 -53.4049 -21.6499 762733.2541 9.6218 9.6609 PRESSURE: 2130400 -153.844 -2.46023 -214.862 -2.46007 62.0489 73.2407 -214.862 73.2405 161.501 GPRESSURE: 2130400 -99.072 34.3282 -161.241 -63.6261 166.07 45.1277 -228.123 111.668 91.7187 PRESSAVG: 2130400 18.4821 3.50468 -7.21521 3.50469 -5.56543 -42.1964 -7.21524 -42.1964 -14.9565 GPRESSAVG: 2130400 18.3673 3.11338 -7.92518 1.84546 -5.68696 -44.0301 -10.7936 -40.3745 -14.6269 TIMING: 2130400 CPU: 6733.45, 0.00315366/step Wall: 6733.45, 0.00315366/step, 2.51381 hours remaining, 235.964844 MB of memory in use. ENERGY: 2130400 3941.4444 20543.7682 14451.3695 262.2910 -203261.4711 2584.5808 0.0000 0.0000 52340.9299 -109137.0872 300.8040 -161478.0172 -108759.6145 300.3683 23.2354 52.9055 763429.7246 -0.6799 -0.6489 PRESSURE: 2130600 -338.119 -171.104 -120.355 -171.104 -253.473 54.0195 -120.355 54.0209 -112.489 GPRESSURE: 2130600 -358.133 -207.624 -146.93 -157.249 -93.3942 -0.647327 52.323 13.7781 -200.134 PRESSAVG: 2130600 44.9663 -1.65332 -0.716968 -1.65335 -41.3086 -18.312 -0.716949 -18.3119 -1.81766 GPRESSAVG: 2130600 44.2366 -3.10497 0.0395266 -1.96576 -40.7838 -19.255 0.601923 -18.9616 -1.76876 TIMING: 2130600 CPU: 6734.08, 0.00314077/step Wall: 6734.08, 0.00314077/step, 2.50336 hours remaining, 235.964844 MB of memory in use. ENERGY: 2130600 4015.8513 20370.9824 14575.7227 241.7809 -202744.6217 2336.4879 0.0000 0.0000 52129.1552 -109074.6413 299.5870 -161203.7965 -108709.8889 299.4315 -234.6935 -217.2205 762999.8311 0.6134 0.5614 PRESSURE: 2130800 -117.097 66.8947 112.836 66.8946 52.4838 -6.71046 112.835 -6.71112 -23.7224 GPRESSURE: 2130800 4.96096 -3.90438 132.688 134.329 -1.14585 -34.9416 60.7901 38.606 -4.06989 PRESSAVG: 2130800 1.59808 -12.1287 0.160946 -12.1289 -30.9447 -53.4815 0.160932 -53.4816 20.8706 GPRESSAVG: 2130800 2.30263 -11.7264 2.17607 -9.78053 -32.2738 -52.4892 -2.76211 -53.0687 21.0083 TIMING: 2130800 CPU: 6734.71, 0.00312767/step Wall: 6734.71, 0.00312767/step, 2.49275 hours remaining, 235.964844 MB of memory in use. ENERGY: 2130800 4041.1100 20511.7806 14455.0805 242.5674 -203052.9118 2762.9304 0.0000 0.0000 52222.6760 -108816.7669 300.1244 -161039.4429 -108447.4642 299.7715 -29.4453 -0.0849 762869.5087 -2.8253 -2.9876 PRESSURE: 2131000 464.742 113.529 24.5756 113.528 141.294 -67.3865 24.5755 -67.3869 -4.41528 GPRESSURE: 2131000 486.223 153.768 -50.6925 57.7792 187.552 -40.8097 -17.3699 54.8849 17.7139 PRESSAVG: 2131000 -15.9491 -32.9097 50.9049 -32.9096 41.5951 -21.1733 50.9049 -21.1733 -5.65836 GPRESSAVG: 2131000 -16.324 -32.3642 48.9592 -33.5819 41.0146 -18.8667 51.8508 -22.6405 -4.22661 TIMING: 2131000 CPU: 6735.34, 0.00313728/step Wall: 6735.34, 0.00313728/step, 2.50023 hours remaining, 235.964844 MB of memory in use. ENERGY: 2131000 3977.9232 20629.4823 14521.8503 253.2487 -203771.7373 2987.2562 0.0000 0.0000 52400.3458 -109001.6308 301.1455 -161401.9766 -108642.0170 300.0388 200.5403 230.4963 760791.2819 6.6625 6.8213 PRESSURE: 2131200 -177.715 46.6473 -268.716 46.647 -98.7157 -32.0254 -268.717 -32.0257 -1.44646 GPRESSURE: 2131200 -136.915 61.9545 -218.737 -12.4698 -108.206 -81.561 -346.076 -50.1768 65.7361 PRESSAVG: 2131200 50.6256 -29.5088 -18.4921 -29.5088 -8.01528 -51.8321 -18.4922 -51.8321 -10.9594 GPRESSAVG: 2131200 50.7703 -30.4543 -19.1743 -28.3556 -7.77567 -54.2107 -15.364 -50.0976 -11.3111 TIMING: 2131200 CPU: 6735.96, 0.00312681/step Wall: 6735.96, 0.00312681/step, 2.49172 hours remaining, 235.964844 MB of memory in use. ENERGY: 2131200 4044.8054 20439.5080 14512.1189 254.8832 -202540.1274 2521.0730 0.0000 0.0000 51988.2027 -108779.5362 298.7769 -160767.7389 -108414.0387 299.8606 -92.6257 -59.7948 762264.9509 10.5503 10.5612 PRESSURE: 2131400 -19.83 78.1139 202.265 78.1135 63.9226 -17.4872 202.265 -17.4881 -262.496 GPRESSURE: 2131400 35.7613 61.4173 213.316 178.618 52.2214 -55.2648 192.02 40.576 -211.621 PRESSAVG: 2131400 41.0721 -19.2952 -60.6035 -19.2952 10.5789 -0.259839 -60.6035 -0.259818 17.6145 GPRESSAVG: 2131400 39.9992 -19.3069 -59.6263 -19.0206 11.1516 -0.619317 -62.2997 -1.03995 17.9309 TIMING: 2131400 CPU: 6736.59, 0.00314303/step Wall: 6736.59, 0.00314303/step, 2.50447 hours remaining, 235.964844 MB of memory in use. ENERGY: 2131400 4025.4070 20494.6719 14516.2086 237.9615 -203161.8038 2617.1994 0.0000 0.0000 52197.9044 -109072.4509 299.9821 -161270.3554 -108710.4084 299.7654 -72.8012 -41.2128 763843.1911 23.0885 23.0272 PRESSURE: 2131600 266.133 -112.29 212.385 -112.29 130.319 214.957 212.386 214.955 -62.8611 GPRESSURE: 2131600 269.085 -94.4739 181.38 -85.1935 180.521 194.952 121.777 221.822 -55.4669 PRESSAVG: 2131600 47.6589 26.267 -21.2772 26.267 -32.4228 -28.6963 -21.2772 -28.6964 -14.8329 GPRESSAVG: 2131600 48.3397 25.2901 -22.5996 26.6789 -30.7214 -29.3718 -21.6974 -29.6848 -16.8706 TIMING: 2131600 CPU: 6737.22, 0.00312987/step Wall: 6737.22, 0.00312987/step, 2.49381 hours remaining, 235.964844 MB of memory in use. ENERGY: 2131600 3921.1355 20488.0748 14542.9542 247.5486 -203689.2007 2910.9317 0.0000 0.0000 52307.7365 -109270.8195 300.6133 -161578.5560 -108898.9186 299.4519 111.1971 131.3799 761153.5524 0.1344 0.2492 PRESSURE: 2131800 -216.178 128.548 -317.548 128.548 115.577 -42.7518 -317.548 -42.7526 -273.729 GPRESSURE: 2131800 -179.104 91.2652 -377.599 32.14 133.562 -115.895 -96.3655 -92.5113 -242.009 PRESSAVG: 2131800 7.91698 9.53985 -45.8292 9.53983 29.4798 -5.2908 -45.8292 -5.29077 -6.28931 GPRESSAVG: 2131800 9.2386 10.2732 -45.3995 7.80245 26.5406 -3.44681 -44.2331 -5.1588 -4.85866 TIMING: 2131800 CPU: 6737.84, 0.00312622/step Wall: 6737.84, 0.00312622/step, 2.49073 hours remaining, 235.964844 MB of memory in use. ENERGY: 2131800 3957.5662 20594.5302 14440.5535 232.4509 -203514.9398 2778.3791 0.0000 0.0000 52358.3077 -109153.1523 300.9039 -161511.4599 -108788.0045 299.5521 -124.7769 -95.8504 762123.9094 10.3692 10.3069 PRESSURE: 2132000 307.229 83.2642 16.5195 83.2642 237.629 91.0213 16.5198 91.0215 86.4101 GPRESSURE: 2132000 273.376 8.42332 -13.6819 117.314 394.648 186.901 -48.3796 -56.4828 61.3271 PRESSAVG: 2132000 -6.42212 10.9587 -54.2388 10.9587 58.0645 -7.48117 -54.2388 -7.48121 4.84786 GPRESSAVG: 2132000 -6.27255 11.7376 -51.566 11.8251 59.1761 -6.85702 -55.8749 -8.9616 4.02413 TIMING: 2132000 CPU: 6738.47, 0.00312767/step Wall: 6738.47, 0.00312767/step, 2.49171 hours remaining, 235.964844 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: 2132000 4003.5482 20434.5033 14538.7798 260.8964 -203238.9108 2678.9098 0.0000 0.0000 52231.2713 -109091.0021 300.1738 -161322.2734 -108730.6327 300.2231 210.4229 243.1170 760134.1518 18.8301 18.9759 PRESSURE: 2132200 -131.212 48.2465 -42.5673 48.2473 -275.068 -120.144 -42.5673 -120.144 -521.132 GPRESSURE: 2132200 -98.7769 51.4227 -82.7358 -25.3794 -298.865 -180.57 -96.8877 -68.8705 -441.631 PRESSAVG: 2132200 -50.3998 -45.8411 -34.5209 -45.8411 44.6381 12.3593 -34.5208 12.3593 -20.9474 GPRESSAVG: 2132200 -52.0997 -45.996 -37.2859 -46.3939 45.4126 10.8456 -34.1456 13.6188 -19.7192 TIMING: 2132200 CPU: 6739.09, 0.00313394/step Wall: 6739.09, 0.00313394/step, 2.49653 hours remaining, 235.964844 MB of memory in use. ENERGY: 2132200 4061.8648 20488.7110 14477.3765 257.9021 -203084.6421 2712.3681 0.0000 0.0000 52049.1488 -109037.2708 299.1272 -161086.4196 -108683.0682 299.7740 -309.1375 -279.7575 763809.0944 -8.9030 -8.8021 LDB: ============= START OF LOAD BALANCING ============== 6751.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6751.62 LDB: =============== DONE WITH MIGRATION ================ 6751.63 LDB: ============= START OF LOAD BALANCING ============== 6751.94 LDB: Largest compute 7050 load 0.028869 is 14.8% of average load 0.195473 LDB: Average compute 0.004386 is 2.2% of average load 0.195473 LDB: TIME 6751.94 LOAD: AVG 0.195473 MAX 0.216017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.059 MB LDB: TIME 6751.94 LOAD: AVG 0.195473 MAX 0.216017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.262 MB LDB: TIME 6751.94 LOAD: AVG 0.195473 MAX 0.216017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.262 MB LDB: ============== END OF LOAD BALANCING =============== 6751.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6751.95 PRESSURE: 2132400 -71.4066 30.2788 108.56 30.2784 -381.102 56.8243 108.56 56.8234 -587.244 GPRESSURE: 2132400 -115.167 137.787 104.509 38.8437 -278.672 76.5021 125.031 83.9234 -575.697 PRESSAVG: 2132400 18.9194 -74.8021 -42.8231 -74.8021 -3.82881 -12.1352 -42.8231 -12.1352 9.3653 GPRESSAVG: 2132400 18.7952 -74.0078 -41.9931 -74.6955 -2.83572 -11.5679 -43.2372 -9.98262 8.48089 TIMING: 2132400 CPU: 6739.73, 0.00319972/step Wall: 6739.73, 0.00319972/step, 2.54875 hours remaining, 234.867188 MB of memory in use. ENERGY: 2132400 4023.7061 20366.8339 14496.0991 232.0163 -202813.7249 2476.9279 0.0000 0.0000 52106.4405 -109111.7010 299.4564 -161218.1416 -108737.8847 299.8488 -346.5841 -323.1785 763426.9559 8.1520 8.1468 PRESSURE: 2132600 130.778 199.158 58.7986 199.158 225.47 148.704 58.7987 148.704 527.85 GPRESSURE: 2132600 273.811 82.4049 -12.1968 106.168 146.207 125.611 36.317 7.40674 536.556 PRESSAVG: 2132600 14.228 -9.64313 -50.5423 -9.6432 -37.7752 20.6505 -50.5424 20.6505 -10.9449 GPRESSAVG: 2132600 15.9184 -10.7022 -48.8418 -11.2426 -39.4291 20.3401 -51.3722 18.5264 -10.8931 TIMING: 2132600 CPU: 6740.36, 0.00313535/step Wall: 6740.36, 0.00313535/step, 2.49731 hours remaining, 234.867188 MB of memory in use. ENERGY: 2132600 3959.8982 20532.5975 14554.0828 234.9548 -203291.5991 2870.5431 0.0000 0.0000 52011.3176 -109128.2051 298.9098 -161139.5227 -108767.3856 299.5475 294.6991 318.8582 762103.6517 -11.4974 -11.4679 PRESSURE: 2132800 177.066 92.1898 68.217 92.1902 144.984 225.464 68.2177 225.464 -186.3 GPRESSURE: 2132800 294.276 74.7017 14.7497 39.7183 58.8219 142.675 -27.1104 228.27 -130.93 PRESSAVG: 2132800 24.9857 41.2298 16.1199 41.2298 -22.105 31.3474 16.1199 31.3474 21.9932 GPRESSAVG: 2132800 26.0295 42.2832 15.156 44.2102 -23.1781 31.7233 17.4939 31.8069 22.6736 TIMING: 2132800 CPU: 6740.99, 0.00312825/step Wall: 6740.99, 0.00312825/step, 2.49147 hours remaining, 234.867188 MB of memory in use. ENERGY: 2132800 3945.0027 20518.3692 14536.9699 235.6886 -203450.4547 2807.8833 0.0000 0.0000 52317.8567 -109088.6842 300.6714 -161406.5409 -108725.3342 299.6446 45.2498 74.0561 761557.9522 8.2913 8.5083 PRESSURE: 2133000 32.3388 -55.9682 -148.325 -55.9688 -145.137 95.444 -148.325 95.4435 103.687 GPRESSURE: 2133000 36.2916 -86.7374 -105.68 -77.2534 -42.7249 68.9231 -114.015 137.662 78.8648 PRESSAVG: 2133000 25.0807 13.3542 -29.7897 13.3542 -41.7546 -13.7331 -29.7897 -13.7332 4.77413 GPRESSAVG: 2133000 24.2606 14.0837 -29.4823 10.3514 -40.1898 -12.796 -29.0835 -13.9635 4.17477 TIMING: 2133000 CPU: 6741.61, 0.00313163/step Wall: 6741.61, 0.00313163/step, 2.49399 hours remaining, 234.867188 MB of memory in use. ENERGY: 2133000 3931.7751 20398.6781 14558.8201 258.3334 -203577.9100 3022.3238 0.0000 0.0000 52141.9508 -109266.0288 299.6605 -161407.9795 -108905.1571 299.2462 -3.0369 24.1438 764281.0946 -3.9666 -3.9181 PRESSURE: 2133200 -0.0305916 54.3066 186.89 54.3069 299.126 7.00239 186.89 7.00263 88.2308 GPRESSURE: 2133200 5.21561 55.8473 126.78 -25.6294 256.667 -44.0974 168.102 52.1079 189.299 PRESSAVG: 2133200 53.4296 15.3441 -35.4797 15.3441 -49.9019 -27.1666 -35.4797 -27.1666 0.370754 GPRESSAVG: 2133200 52.9266 13.1573 -35.7863 15.7881 -49.7644 -28.1272 -36.5752 -26.4931 0.816495 TIMING: 2133200 CPU: 6742.24, 0.0031409/step Wall: 6742.24, 0.00314089/step, 2.5012 hours remaining, 234.867188 MB of memory in use. ENERGY: 2133200 3962.8741 20557.8029 14495.7184 225.9314 -202883.0268 2458.8309 0.0000 0.0000 51945.6416 -109236.2274 298.5323 -161181.8689 -108879.5603 299.2637 129.1087 150.3937 764513.3836 1.2995 1.3263 PRESSURE: 2133400 -229.145 70.3212 243.394 70.3209 -87.6116 -15.5058 243.393 -15.5056 -91.2048 GPRESSURE: 2133400 -125.004 53.3275 255.298 112.776 -78.7956 -182.452 126.107 46.8323 -124.666 PRESSAVG: 2133400 20.317 24.8386 30.3661 24.8385 -24.9901 16.0674 30.3661 16.0675 5.42687 GPRESSAVG: 2133400 21.5781 26.6294 30.1941 25.2794 -25.8872 16.8383 30.6735 15.4565 5.07228 TIMING: 2133400 CPU: 6742.87, 0.00314181/step Wall: 6742.87, 0.00314181/step, 2.50176 hours remaining, 234.867188 MB of memory in use. ENERGY: 2133400 4003.3322 20547.8089 14474.3518 231.8855 -203278.5187 2736.6746 0.0000 0.0000 52067.4156 -109217.0501 299.2322 -161284.4658 -108861.5996 299.4933 -135.9872 -109.4885 763574.3681 0.2512 0.2544 PRESSURE: 2133600 -24.5318 113.013 113.479 113.013 -79.0158 -137.968 113.478 -137.968 18.7365 GPRESSURE: 2133600 -6.30158 191.573 115.327 122.31 14.9682 -134 151.838 -223.495 4.81383 PRESSAVG: 2133600 -47.9145 -15.9971 -7.09233 -15.9971 31.2577 -25.0116 -7.09233 -25.0116 13.6128 GPRESSAVG: 2133600 -49.27 -16.5611 -7.08718 -16.7782 32.2712 -23.9913 -8.05426 -25.9655 14.5925 TIMING: 2133600 CPU: 6743.5, 0.00314616/step Wall: 6743.5, 0.00314616/step, 2.50504 hours remaining, 234.867188 MB of memory in use. ENERGY: 2133600 4038.7557 20534.2647 14553.7582 240.9938 -203511.3578 2846.4400 0.0000 0.0000 52143.1164 -109154.0289 299.6672 -161297.1453 -108787.0567 299.8345 -28.2704 4.4935 762941.1256 -1.0147 -0.8021 PRESSURE: 2133800 -216.95 -100.033 14.9918 -100.032 42.9844 70.7922 14.9918 70.7927 -229.939 GPRESSURE: 2133800 -231.726 -14.4595 -25.5326 -178.783 97.0549 -5.32243 98.8401 53.6206 -187.366 PRESSAVG: 2133800 -38.213 15.4035 -22.6419 15.4035 18.9625 24.3619 -22.6419 24.362 5.1109 GPRESSAVG: 2133800 -38.0637 14.8407 -21.8514 15.3131 19.6836 23.3764 -19.6049 24.5806 4.3117 TIMING: 2133800 CPU: 6744.13, 0.00314846/step Wall: 6744.13, 0.00314846/step, 2.5067 hours remaining, 234.867188 MB of memory in use. ENERGY: 2133800 3981.3693 20567.1061 14516.9332 234.9638 -203370.3982 2670.1947 0.0000 0.0000 52028.5564 -109371.2748 299.0088 -161399.8312 -109005.6371 299.5367 -134.6349 -107.3456 762758.4514 -4.7132 -4.6895 PRESSURE: 2134000 -75.2944 -45.9953 -229.66 -45.9952 -522.86 146.048 -229.66 146.049 -519.724 GPRESSURE: 2134000 -15.9491 11.6181 -235.382 23.4227 -461.047 145.34 -142.149 39.716 -567.983 PRESSAVG: 2134000 67.1844 -10.8219 -86.0755 -10.8218 -29.8459 20.1506 -86.0755 20.1506 8.67265 GPRESSAVG: 2134000 68.4654 -11.4458 -87.9825 -9.65902 -30.3225 18.419 -86.5163 20.9858 8.49551 TIMING: 2134000 CPU: 6744.75, 0.00313518/step Wall: 6744.75, 0.00313518/step, 2.49595 hours remaining, 234.867188 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: 2134000 4053.1950 20419.3542 14465.7180 240.8961 -203304.1237 2382.7731 0.0000 0.0000 52245.7598 -109496.4275 300.2571 -161742.1872 -109119.7707 299.1514 -372.6262 -348.3263 763185.0113 15.3371 15.5461 PRESSURE: 2134200 193.152 -158.162 -62.2371 -158.162 -162.119 -136.088 -62.2381 -136.087 -161.628 GPRESSURE: 2134200 158.012 -22.0525 -60.1154 -154.23 -122.643 -92.6756 -23.4671 -81.3398 -90.52 PRESSAVG: 2134200 -6.48244 -21.6906 -35.8571 -21.6906 -5.0682 -50.8024 -35.857 -50.8024 -14.4517 GPRESSAVG: 2134200 -7.73292 -21.6732 -33.585 -20.8716 -4.42251 -50.4222 -35.9754 -48.7374 -14.0877 TIMING: 2134200 CPU: 6745.38, 0.00315432/step Wall: 6745.38, 0.00315432/step, 2.51102 hours remaining, 234.867188 MB of memory in use. ENERGY: 2134200 4009.3675 20675.0584 14520.6298 229.2987 -203979.4290 3056.9509 0.0000 0.0000 51846.5323 -109641.5915 297.9627 -161488.1238 -109272.2114 298.8187 -43.5315 -18.3838 761261.6305 -8.6675 -8.7477 PRESSURE: 2134400 -66.6521 -161.75 154.173 -161.75 -94.1027 44.6334 154.174 44.6321 -475.999 GPRESSURE: 2134400 14.3973 -109.187 124.109 -129.027 -2.11802 -50.9428 151.213 23.63 -546.718 PRESSAVG: 2134400 53.9919 -47.8016 -44.0919 -47.8016 -94.5208 58.1834 -44.0919 58.1834 -7.19948 GPRESSAVG: 2134400 54.1732 -47.0918 -44.5733 -51.4471 -94.2479 57.9694 -45.2795 56.3398 -7.59966 TIMING: 2134400 CPU: 6746.01, 0.0031413/step Wall: 6746.01, 0.0031413/step, 2.50048 hours remaining, 234.867188 MB of memory in use. ENERGY: 2134400 3962.0732 20560.6053 14518.0533 240.5296 -203662.3608 2645.3735 0.0000 0.0000 52026.5481 -109709.1778 298.9973 -161735.7259 -109330.8119 298.6516 -212.2513 -178.1464 760883.6435 -15.9094 -15.8914 PRESSURE: 2134600 -226.003 -334.853 153.617 -334.852 -337.213 209.69 153.617 209.69 59.2526 GPRESSURE: 2134600 -179.185 -207.655 268.32 -368.744 -353.074 167.697 81.8366 28.1466 121.657 PRESSAVG: 2134600 81.7825 -47.3812 16.9693 -47.3813 -33.3939 -18.915 16.9692 -18.915 -2.2134 GPRESSAVG: 2134600 83.7217 -49.3788 17.2372 -43.4124 -35.427 -19.9539 17.7077 -17.7233 -2.38049 TIMING: 2134600 CPU: 6746.64, 0.00313122/step Wall: 6746.64, 0.00313122/step, 2.49228 hours remaining, 234.867188 MB of memory in use. ENERGY: 2134600 4003.9706 20447.6814 14557.8676 249.2078 -203361.7415 2537.6045 0.0000 0.0000 52056.7464 -109508.6633 299.1708 -161565.4097 -109147.9767 299.3812 -167.9875 -136.8673 761838.3985 15.3917 15.3047 PRESSURE: 2134800 -83.7729 134.869 119.327 134.869 15.6629 16.5825 119.328 16.5819 478.239 GPRESSURE: 2134800 -20.5944 97.8118 223.856 144.451 119.739 56.5102 151.413 20.8222 373.06 PRESSAVG: 2134800 55.1257 -73.7839 3.63074 -73.7839 -42.9217 40.0735 3.63074 40.0734 30.848 GPRESSAVG: 2134800 53.9997 -74.0939 0.944122 -73.533 -41.1739 40.0728 6.5355 40.0797 30.7261 TIMING: 2134800 CPU: 6747.27, 0.00313687/step Wall: 6747.27, 0.00313687/step, 2.4966 hours remaining, 234.867188 MB of memory in use. ENERGY: 2134800 3906.5478 20673.2453 14439.3569 263.6844 -204119.0192 2967.1699 0.0000 0.0000 52028.5201 -109840.4949 299.0086 -161869.0150 -109480.8112 299.1454 136.7097 157.4017 761084.7725 14.3507 14.5173 PRESSURE: 2135000 -45.6906 -77.8894 -105.737 -77.8892 542.918 -85.0388 -105.737 -85.0373 214.028 GPRESSURE: 2135000 -92.3078 19.713 -54.0147 -148.523 596.727 -163.306 -35.9785 -50.1542 267.057 PRESSAVG: 2135000 -9.85609 25.3955 -18.2492 25.3956 35.5824 -8.87412 -18.2493 -8.87415 1.60571 GPRESSAVG: 2135000 -8.87811 27.3482 -14.4991 22.6386 34.7268 -8.12576 -22.0514 -9.18436 1.20429 TIMING: 2135000 CPU: 6747.9, 0.00314247/step Wall: 6747.9, 0.00314247/step, 2.50089 hours remaining, 235.000000 MB of memory in use. ENERGY: 2135000 3962.5356 20395.6207 14475.4735 230.1801 -204349.2966 3402.8230 0.0000 0.0000 52137.9700 -109744.6937 299.6376 -161882.6637 -109377.2219 298.4578 237.0852 257.1589 763428.4766 9.1107 9.0177 PRESSURE: 2135200 -115.073 49.5711 -107.591 49.5708 -147.843 217.865 -107.591 217.866 -193.823 GPRESSURE: 2135200 -14.9128 13.3303 -181.575 126.262 -131.385 106.032 -51.3387 240.814 -245.672 PRESSAVG: 2135200 -69.3796 3.04383 18.5105 3.04377 58.3334 -52.7227 18.5105 -52.7228 2.58332 GPRESSAVG: 2135200 -68.6405 3.17778 15.3232 3.27118 58.2225 -52.2182 22.2477 -51.8117 2.40159 TIMING: 2135200 CPU: 6748.52, 0.00313814/step Wall: 6748.52, 0.00313814/step, 2.49726 hours remaining, 235.000000 MB of memory in use. ENERGY: 2135200 4056.6612 20490.5627 14504.8516 261.9676 -203970.1667 3038.5050 0.0000 0.0000 52123.5821 -109494.0365 299.5549 -161617.6186 -109131.7226 299.1431 -152.2464 -130.6564 762707.4184 -2.8210 -2.6721 PRESSURE: 2135400 -177.714 -89.5422 -50.6374 -89.5416 220.781 -34.8671 -50.6359 -34.8669 237.866 GPRESSURE: 2135400 -180.748 8.77387 -135.552 15.903 214.767 44.7906 51.595 -87.0706 333.525 PRESSAVG: 2135400 -21.4854 1.73588 -12.3296 1.73585 16.2745 -27.02 -12.3296 -27.02 -12.6063 GPRESSAVG: 2135400 -21.1486 0.866878 -13.128 1.17939 15.9786 -26.1971 -11.6498 -29.269 -12.3738 TIMING: 2135400 CPU: 6749.15, 0.00312185/step Wall: 6749.15, 0.00312185/step, 2.48412 hours remaining, 235.000000 MB of memory in use. ENERGY: 2135400 4004.8089 20579.2264 14463.6056 245.5823 -203204.6472 2425.2093 0.0000 0.0000 51968.5303 -109517.6844 298.6639 -161486.2147 -109149.2384 299.2513 93.6446 122.5146 762479.2800 -5.9390 -5.8479 PRESSURE: 2135600 -112.818 23.2442 -90.7625 23.2447 -127.958 -65.4268 -90.7624 -65.4269 100.061 GPRESSURE: 2135600 -102.248 97.6929 -116.241 -38.9308 -72.4023 -55.2095 -120.635 -28.1886 128.916 PRESSAVG: 2135600 11.7698 -31.5786 -23.0881 -31.5787 29.9654 -77.4167 -23.0881 -77.4167 8.20577 GPRESSAVG: 2135600 10.764 -31.4751 -20.6258 -31.8487 30.6489 -77.178 -26.1541 -77.0292 8.19558 TIMING: 2135600 CPU: 6749.77, 0.00313335/step Wall: 6749.77, 0.00313335/step, 2.4931 hours remaining, 235.000000 MB of memory in use. ENERGY: 2135600 3961.8300 20577.8716 14419.0853 246.5615 -203480.6975 2750.2831 0.0000 0.0000 52037.4808 -109487.5853 299.0601 -161525.0661 -109125.8212 299.6170 -46.9050 -15.2446 762256.1019 16.6470 16.5362 PRESSURE: 2135800 -214.156 144.893 0.0108384 144.894 38.8373 -61.1682 0.0109434 -61.169 -166.494 GPRESSURE: 2135800 -128.874 -16.1127 -54.2227 41.4325 14.8005 -8.94249 -99.6817 -55.4098 -152.907 PRESSAVG: 2135800 43.1125 -16.0349 -37.8772 -16.0348 -34.5165 -40.9906 -37.8771 -40.9905 16.5381 GPRESSAVG: 2135800 42.7048 -16.5636 -37.2553 -14.4102 -34.9739 -40.0381 -38.3569 -40.0945 17.4112 TIMING: 2135800 CPU: 6750.4, 0.0031288/step Wall: 6750.4, 0.0031288/step, 2.48931 hours remaining, 235.000000 MB of memory in use. ENERGY: 2135800 3990.4180 20564.0056 14451.8673 251.2482 -203102.8757 2274.1763 0.0000 0.0000 52044.0661 -109527.0943 299.0980 -161571.1604 -109155.1131 299.3033 -113.9373 -88.9937 761993.4159 8.3781 8.3807 PRESSURE: 2136000 75.6583 192.267 16.234 192.266 224.161 4.63312 16.2336 4.63251 291.247 GPRESSURE: 2136000 94.2289 34.2941 -61.4007 129.537 255.779 -37.3744 -1.27957 -82.6775 325.556 PRESSAVG: 2136000 23.438 47.7075 24.9109 47.7075 -19.7809 -8.82392 24.9109 -8.82391 0.457936 GPRESSAVG: 2136000 23.8572 48.1672 23.676 47.8718 -19.9663 -10.4657 25.4607 -10.0892 -0.155934 TIMING: 2136000 CPU: 6751.03, 0.0031378/step Wall: 6751.03, 0.0031378/step, 2.49629 hours remaining, 235.000000 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: 2136000 3996.5447 20666.9413 14556.8338 235.4099 -203637.0508 2776.1102 0.0000 0.0000 51965.3280 -109439.8827 298.6455 -161405.2107 -109085.2720 299.4933 197.0221 225.1881 759790.6378 1.3717 1.2450 PRESSURE: 2136200 231.39 -244.276 -221.782 -244.275 -15.1349 -20.8333 -221.782 -20.834 93.9433 GPRESSURE: 2136200 238.502 -277.924 -237.099 -126.133 1.8837 -31.3921 -117.35 -62.6264 153.41 PRESSAVG: 2136200 60.1675 -3.38974 21.1806 -3.38973 -16.0581 -60.5136 21.1807 -60.5135 27.5117 GPRESSAVG: 2136200 59.5757 -5.06173 22.0053 -3.8862 -15.1319 -59.2383 21.3559 -59.5653 27.0937 TIMING: 2136200 CPU: 6751.66, 0.0031391/step Wall: 6751.66, 0.0031391/step, 2.49715 hours remaining, 235.000000 MB of memory in use. ENERGY: 2136200 4038.3368 20556.0537 14456.3153 233.3319 -203897.1442 2990.8811 0.0000 0.0000 52223.3202 -109398.9052 300.1281 -161622.2254 -109035.7018 299.3800 103.3995 131.2651 760184.6318 23.8737 23.8459 LDB: ============= START OF LOAD BALANCING ============== 6764.18 LDB: ============== END OF LOAD BALANCING =============== 6764.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6764.19 LDB: ============= START OF LOAD BALANCING ============== 6764.5 LDB: Largest compute 7076 load 0.028938 is 14.8% of average load 0.195531 LDB: Average compute 0.004401 is 2.3% of average load 0.195531 LDB: TIME 6764.5 LOAD: AVG 0.195531 MAX 0.220313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 6764.5 LOAD: AVG 0.195531 MAX 0.220313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 6764.5 LOAD: AVG 0.195531 MAX 0.21782 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 6764.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6764.51 PRESSURE: 2136400 -163.982 -141.173 -136.547 -141.173 173.509 22.843 -136.547 22.8437 -106.117 GPRESSURE: 2136400 -108.247 -105.592 -65.6702 -184.183 197.065 36.387 -201.763 47.5969 -87.3713 PRESSAVG: 2136400 8.56625 16.6832 39.4685 16.6832 -5.54471 -52.846 39.4686 -52.846 11.6155 GPRESSAVG: 2136400 9.2887 19.3357 39.0156 14.7087 -6.8268 -54.426 40.5757 -53.0219 13.0539 TIMING: 2136400 CPU: 6752.29, 0.00319306/step Wall: 6752.29, 0.00319306/step, 2.5399 hours remaining, 236.863281 MB of memory in use. ENERGY: 2136400 3976.5234 20657.0016 14458.5753 262.3137 -203559.9124 2794.0398 0.0000 0.0000 52164.6668 -109246.7918 299.7911 -161411.4586 -108881.6832 299.6746 -32.1966 0.4821 760362.7768 4.8790 5.1719 PRESSURE: 2136600 -254.015 36.4772 203.408 36.4765 -66.1731 57.7578 203.409 57.7581 -113.546 GPRESSURE: 2136600 -147.188 72.5257 112.965 12.3514 -18.9317 25.2408 43.1316 185.396 -176.246 PRESSAVG: 2136600 -33.9512 56.3131 0.604018 56.3132 4.98128 -68.5896 0.603961 -68.5895 -0.395172 GPRESSAVG: 2136600 -34.0339 56.1251 0.363452 56.875 6.42871 -68.3504 0.601203 -68.8871 -1.42073 TIMING: 2136600 CPU: 6752.92, 0.00312577/step Wall: 6752.92, 0.00312577/step, 2.48621 hours remaining, 237.066406 MB of memory in use. ENERGY: 2136600 4004.7537 20695.6941 14473.1064 264.8511 -203255.4724 2400.6624 0.0000 0.0000 52128.0089 -109288.3958 299.5804 -161416.4047 -108933.7793 299.5714 -144.5780 -114.1217 762367.6718 -9.7884 -9.6753 PRESSURE: 2136800 134.063 -202.97 -134.078 -202.971 -77.3502 248.947 -134.078 248.946 144.653 GPRESSURE: 2136800 60.1939 -154.107 5.5228 -139.084 19.2142 343.961 -176.952 149.215 221.631 PRESSAVG: 2136800 64.7933 -0.954269 11.9241 -0.954289 -33.0566 -1.38613 11.9241 -1.38611 -1.19797 GPRESSAVG: 2136800 62.9233 -0.0596679 13.6101 0.211564 -31.9732 -0.852736 9.41785 -0.293469 -0.845195 TIMING: 2136800 CPU: 6753.54, 0.00312779/step Wall: 6753.54, 0.00312779/step, 2.48764 hours remaining, 237.066406 MB of memory in use. ENERGY: 2136800 3985.0461 20685.1889 14497.9953 246.7209 -203716.0323 2955.3658 0.0000 0.0000 52166.1044 -109179.6109 299.7993 -161345.7153 -108811.4797 299.7141 67.1218 100.3464 761564.4328 10.1796 10.0349 PRESSURE: 2137000 -140.351 79.0449 107.657 79.0453 -163.352 159.612 107.658 159.611 -212.722 GPRESSURE: 2137000 -137.875 93.1852 133.686 134.219 -43.1071 183.875 254.684 40.3005 -247.021 PRESSAVG: 2137000 -9.66459 31.4059 8.43263 31.406 22.345 0.886657 8.43264 0.886652 -2.67466 GPRESSAVG: 2137000 -8.69054 29.788 8.00348 30.3537 21.2509 0.343821 10.7727 -1.46896 -3.29409 TIMING: 2137000 CPU: 6754.17, 0.00313152/step Wall: 6754.17, 0.00313152/step, 2.49043 hours remaining, 237.066406 MB of memory in use. ENERGY: 2137000 4048.2820 20625.0955 14458.9725 240.0933 -203467.4601 2647.7685 0.0000 0.0000 52070.9666 -109376.2817 299.2526 -161447.2483 -109005.3960 299.6282 -172.1417 -142.6676 763419.1865 3.3353 3.0887 PRESSURE: 2137200 -40.375 212.176 -35.7247 212.177 76.0601 135.843 -35.7249 135.842 115.996 GPRESSURE: 2137200 29.7265 187.627 -134.717 272.509 95.6472 59.2576 -113.816 100.968 108.138 PRESSAVG: 2137200 62.5508 82.2513 25.4369 82.2513 -12.8257 -21.3695 25.4369 -21.3695 4.90608 GPRESSAVG: 2137200 62.4173 84.2564 25.3809 82.56 -13.0038 -20.9425 25.8206 -19.0577 5.47336 TIMING: 2137200 CPU: 6754.8, 0.00314177/step Wall: 6754.8, 0.00314177/step, 2.4984 hours remaining, 237.066406 MB of memory in use. ENERGY: 2137200 3975.1962 20489.8460 14580.1214 246.1419 -203358.7610 2662.7773 0.0000 0.0000 52023.2674 -109381.4108 298.9784 -161404.6783 -108998.8626 299.1662 50.5603 77.8373 760961.2543 18.2104 18.2956 PRESSURE: 2137400 -206.022 29.1107 -107.191 29.1099 430.554 -113.14 -107.191 -113.14 14.9066 GPRESSURE: 2137400 -123.446 13.7481 -144.745 53.986 443.41 -187.103 -184.224 -98.8089 4.85788 PRESSAVG: 2137400 15.85 81.4122 6.2365 81.4122 -6.7673 -50.76 6.23648 -50.7599 17.1133 GPRESSAVG: 2137400 15.7641 80.4049 4.97339 81.3356 -6.56018 -50.6803 5.72873 -50.4054 16.4926 TIMING: 2137400 CPU: 6755.43, 0.00313222/step Wall: 6755.43, 0.00313222/step, 2.49063 hours remaining, 237.066406 MB of memory in use. ENERGY: 2137400 4055.8640 20795.7541 14524.8528 255.7277 -203480.2024 2740.0309 0.0000 0.0000 51999.5668 -109108.4061 298.8422 -161107.9729 -108749.5188 299.4103 79.8132 108.2739 760656.3546 8.7320 8.5655 PRESSURE: 2137600 -231.716 -131.993 231.69 -131.992 -261.832 363.276 231.689 363.276 -170.425 GPRESSURE: 2137600 -172.746 -28.552 157.185 -157.927 -213.647 357.159 94.6817 386.542 -185.273 PRESSAVG: 2137600 -19.1994 -16.9181 25.9384 -16.918 20.7986 -44.508 25.9384 -44.5081 28.6021 GPRESSAVG: 2137600 -19.6251 -16.4558 26.2929 -16.3898 21.0858 -46.2485 25.8565 -45.2919 28.7151 TIMING: 2137600 CPU: 6756.05, 0.00312763/step Wall: 6756.05, 0.00312763/step, 2.48681 hours remaining, 237.066406 MB of memory in use. ENERGY: 2137600 4019.5652 20590.4243 14487.5975 238.1609 -203295.2094 2394.4463 0.0000 0.0000 52336.8600 -109228.1552 300.7807 -161565.0151 -108861.8206 299.6832 -221.3246 -190.5556 760432.6264 10.0671 10.0586 PRESSURE: 2137800 58.1393 110.978 198.376 110.977 110.06 12.8248 198.376 12.8242 84.3829 GPRESSURE: 2137800 141.747 62.4555 185.113 60.9443 79.5898 -27.8275 136.407 68.6115 111.431 PRESSAVG: 2137800 -104.449 31.1306 -31.5328 31.1306 24.3884 8.79402 -31.5328 8.79403 1.28884 GPRESSAVG: 2137800 -103.651 29.2373 -32.1399 29.7793 23.6992 10.6037 -28.5822 8.22366 1.3991 TIMING: 2137800 CPU: 6756.68, 0.00314853/step Wall: 6756.68, 0.00314853/step, 2.50326 hours remaining, 237.066406 MB of memory in use. ENERGY: 2137800 3996.8396 20461.6233 14518.0251 277.8771 -203447.0717 2645.8224 0.0000 0.0000 52222.4225 -109324.4617 300.1230 -161546.8842 -108953.1690 299.5551 84.1940 110.9227 760677.8845 -26.2572 -26.1841 PRESSURE: 2138000 241.161 -257.484 36.0628 -257.485 -231.898 -176.361 36.0621 -176.36 -84.0317 GPRESSURE: 2138000 232.368 -254.229 19.0597 -303.046 -167.249 -110.219 -28.9148 -185.969 -45.7215 PRESSAVG: 2138000 -69.993 -40.3494 -16.7709 -40.3494 58.4148 -36.4578 -16.7709 -36.4578 14.0074 GPRESSAVG: 2138000 -69.1539 -39.9173 -16.5911 -39.1623 57.0441 -35.4219 -19.3526 -37.1538 13.6008 TIMING: 2138000 CPU: 6757.3, 0.00311646/step Wall: 6757.3, 0.00311646/step, 2.47758 hours remaining, 237.066406 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: 2138000 4036.1190 20473.8170 14469.2976 260.1533 -203536.1978 2664.2395 0.0000 0.0000 52321.6683 -109310.9031 300.6933 -161632.5714 -108936.3230 299.5795 -24.9230 6.4659 763007.1709 0.8098 0.4970 PRESSURE: 2138200 112.914 -23.3834 325.019 -23.3829 -57.0605 24.3898 325.018 24.3904 273.708 GPRESSURE: 2138200 22.5474 -159.227 329.392 -32.2805 75.6171 -63.1922 211.235 5.49627 312.077 PRESSAVG: 2138200 -23.994 -11.6112 9.12905 -11.6111 -4.05167 56.3081 9.12903 56.3081 39.3094 GPRESSAVG: 2138200 -25.2211 -12.863 9.08135 -10.8516 -3.70905 55.1301 9.58854 55.6854 40.6419 TIMING: 2138200 CPU: 6757.93, 0.00312622/step Wall: 6757.93, 0.00312622/step, 2.48517 hours remaining, 237.066406 MB of memory in use. ENERGY: 2138200 3960.5603 20602.4655 14471.0096 256.1267 -203304.4992 2859.4230 0.0000 0.0000 52027.4652 -109127.4489 299.0026 -161154.9141 -108764.8538 299.6036 109.8539 136.7470 762571.8870 3.7546 3.9039 PRESSURE: 2138400 -55.3105 65.4535 -123.164 65.4529 23.4024 104.487 -123.165 104.488 -171.956 GPRESSURE: 2138400 -30.8773 7.67286 -109.878 -30.7357 98.5853 60.5543 -94.5897 66.2251 -182.911 PRESSAVG: 2138400 36.7495 14.5605 -18.2951 14.5604 13.6122 -32.7898 -18.2951 -32.7898 -1.53912 GPRESSAVG: 2138400 36.694 16.3402 -18.661 13.7365 14.5 -33.2581 -19.4769 -30.9204 -2.37982 TIMING: 2138400 CPU: 6758.56, 0.00313148/step Wall: 6758.56, 0.00313148/step, 2.48918 hours remaining, 237.066406 MB of memory in use. ENERGY: 2138400 3985.3684 20763.6174 14552.7991 241.6022 -203402.9955 2661.3978 0.0000 0.0000 51997.9448 -109200.2658 298.8329 -161198.2106 -108842.9310 299.9312 -67.9546 -38.4012 762258.0789 16.2742 16.2714 PRESSURE: 2138600 50.1488 -192.252 -494.717 -192.252 133.803 194.488 -494.717 194.488 249.417 GPRESSURE: 2138600 139.861 -208.68 -482.295 -170.655 112.769 225.179 -377.654 53.8552 234.136 PRESSAVG: 2138600 -52.5841 -35.0948 -45.5358 -35.0948 39.1769 1.44348 -45.5358 1.44353 -24.3641 GPRESSAVG: 2138600 -51.9952 -36.3689 -46.6018 -33.2073 39.6652 0.817008 -42.5164 -2.60617 -24.9341 TIMING: 2138600 CPU: 6759.18, 0.00313149/step Wall: 6759.18, 0.00313149/step, 2.48901 hours remaining, 237.066406 MB of memory in use. ENERGY: 2138600 3957.0575 20681.8857 14530.6989 266.0979 -203239.3340 2463.9488 0.0000 0.0000 52127.2755 -109212.3696 299.5762 -161339.6451 -108852.9477 299.7514 144.4561 162.2552 762595.1786 -12.5905 -12.4214 PRESSURE: 2138800 256.98 -212.393 -130.238 -212.393 -151.159 -159.958 -130.238 -159.959 73.2358 GPRESSURE: 2138800 180.423 -287.196 -184.74 -126.688 -103.803 -100.315 27.8234 -164.643 186.036 PRESSAVG: 2138800 -13.501 -57.2123 -10.7718 -57.2123 -3.12595 34.7645 -10.7718 34.7645 1.34326 GPRESSAVG: 2138800 -14.3317 -58.4368 -9.57257 -56.9007 -3.53927 37.0827 -12.6811 37.0262 2.0483 TIMING: 2138800 CPU: 6759.81, 0.00313452/step Wall: 6759.81, 0.00313452/step, 2.49125 hours remaining, 237.066406 MB of memory in use. ENERGY: 2138800 3987.5335 20532.8920 14564.8420 237.4421 -203448.6167 2987.8596 0.0000 0.0000 51960.0148 -109178.0326 298.6149 -161138.0474 -108806.6924 299.4777 59.6857 87.5521 764015.3230 -5.0946 -5.2742 PRESSURE: 2139000 -192.31 121.837 -184.808 121.836 15.6618 -188.277 -184.808 -188.277 -227.461 GPRESSURE: 2139000 -108.132 113.604 -102.557 62.5776 -23.0136 -151.461 -87.9034 -85.7069 -197.022 PRESSAVG: 2139000 62.3532 -21.9318 16.8076 -21.9318 -21.6797 2.45518 16.8077 2.45518 7.91317 GPRESSAVG: 2139000 63.1395 -20.8953 18.7011 -24.3414 -21.1213 2.57347 15.3917 1.92733 6.8189 TIMING: 2139000 CPU: 6760.44, 0.0031487/step Wall: 6760.44, 0.0031487/step, 2.50234 hours remaining, 237.066406 MB of memory in use. ENERGY: 2139000 4002.9238 20656.9255 14565.6123 252.2991 -203850.2205 2859.7579 0.0000 0.0000 52195.1694 -109317.5324 299.9664 -161512.7018 -108948.7491 299.1453 -134.7031 -109.3892 763436.0703 16.1956 16.2790 PRESSURE: 2139200 153.148 -115.367 20.4544 -115.368 197.78 24.2059 20.4546 24.2058 256.551 GPRESSURE: 2139200 116.505 -142.998 6.02338 -107.611 308.498 33.361 6.3472 -42.4563 257.146 PRESSAVG: 2139200 10.21 49.6635 26.7055 49.6635 -32.5003 -48.4666 26.7055 -48.4666 5.86385 GPRESSAVG: 2139200 10.557 48.5694 25.3334 51.1634 -34.0445 -48.4132 26.3034 -48.9693 6.93176 TIMING: 2139200 CPU: 6761.07, 0.00314773/step Wall: 6761.07, 0.00314773/step, 2.50139 hours remaining, 237.066406 MB of memory in use. ENERGY: 2139200 3930.6249 20509.5924 14488.9783 252.1631 -203885.9643 2893.3152 0.0000 0.0000 52260.0699 -109551.2206 300.3393 -161811.2904 -109172.7717 298.9703 202.4930 227.3830 761585.3714 -5.4755 -5.5186 PRESSURE: 2139400 -87.3011 -61.042 -92.4541 -61.0416 -86.9638 50.4269 -92.4553 50.4262 147.146 GPRESSURE: 2139400 -45.3206 -149.007 -41.6414 -26.0013 -56.366 64.9658 -119.164 -30.6326 164.182 PRESSAVG: 2139400 26.0238 23.6315 -24.7208 23.6315 -49.9697 -31.2883 -24.7208 -31.2884 -4.17706 GPRESSAVG: 2139400 26.1336 25.0682 -24.3844 21.052 -49.4248 -31.7304 -23.3134 -29.4775 -4.79539 TIMING: 2139400 CPU: 6761.69, 0.00312932/step Wall: 6761.69, 0.00312932/step, 2.48659 hours remaining, 237.066406 MB of memory in use. ENERGY: 2139400 3992.6954 20523.0204 14551.4894 243.1644 -203942.2321 3087.5488 0.0000 0.0000 52000.9479 -109543.3658 298.8502 -161544.3137 -109181.9793 298.8319 -9.0397 20.8317 761076.6559 -9.3743 -9.3622 PRESSURE: 2139600 320.708 -29.2358 183.965 -29.2367 72.0505 -87.5402 183.965 -87.5406 18.9074 GPRESSURE: 2139600 310.074 -67.7088 168.572 -60.9331 150.914 -101.128 131.709 63.3425 37.2077 PRESSAVG: 2139600 60.0808 35.6754 -8.84343 35.6754 -24.5545 -4.21194 -8.84346 -4.21197 13.8145 GPRESSAVG: 2139600 59.6219 34.9502 -11.3662 35.3925 -24.9698 -5.30367 -7.83 -3.39599 14.4887 TIMING: 2139600 CPU: 6762.32, 0.00313084/step Wall: 6762.32, 0.00313084/step, 2.48762 hours remaining, 237.066406 MB of memory in use. ENERGY: 2139600 3931.9732 20385.0342 14524.0434 244.5615 -203542.8180 2798.1378 0.0000 0.0000 52003.2738 -109655.7941 298.8635 -161659.0679 -109293.8903 298.4689 137.2218 166.0653 761905.8168 16.4469 16.3803 PRESSURE: 2139800 63.5743 20.9839 373.127 20.9833 -24.2843 -51.6037 373.127 -51.6044 3.22051 GPRESSURE: 2139800 162.966 60.4765 327.072 134.459 -21.0804 -78.0485 238.895 -89.647 -8.85649 PRESSAVG: 2139800 62.8273 1.30701 37.9361 1.30701 -6.6564 0.812467 37.9361 0.812422 17.8125 GPRESSAVG: 2139800 61.3498 1.39551 39.8227 3.96131 -6.09652 0.561435 35.8667 -0.342482 18.5764 TIMING: 2139800 CPU: 6762.95, 0.00313552/step Wall: 6762.95, 0.00313552/step, 2.49117 hours remaining, 237.066406 MB of memory in use. ENERGY: 2139800 3956.7809 20377.9847 14544.8174 243.3819 -203433.8456 2521.1166 0.0000 0.0000 52297.0755 -109492.6886 300.5520 -161789.7641 -109120.4471 298.8169 14.1702 44.3429 762202.4781 24.6611 24.6099 PRESSURE: 2140000 109.26 -108.45 -83.6489 -108.45 -69.64 285.191 -83.6497 285.192 60.8561 GPRESSURE: 2140000 40.4007 -110.45 -32.7747 -79.868 33.2109 281.971 -21.9856 186.159 140.342 PRESSAVG: 2140000 19.5257 -34.9294 -0.507744 -34.9295 32.4806 27.449 -0.507797 27.4491 15.9665 GPRESSAVG: 2140000 18.5062 -35.5268 0.945446 -35.0452 34.1437 28.7951 -0.152122 27.2889 15.5373 TIMING: 2140000 CPU: 6763.58, 0.00314356/step Wall: 6763.58, 0.00314356/step, 2.49739 hours remaining, 237.066406 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: 2140000 3971.7278 20547.0271 14560.8760 258.1399 -203274.6123 2570.6409 0.0000 0.0000 51940.0877 -109426.1128 298.5004 -161366.2005 -109059.7517 299.2784 33.4921 71.3179 763463.4265 22.6576 22.7291 PRESSURE: 2140200 -17.7523 224.353 24.6801 224.353 -311.281 -231.278 24.6786 -231.279 353.967 GPRESSURE: 2140200 -43.0463 218.855 43.188 22.8776 -284.892 -291.804 -201.95 -134.204 433.04 PRESSAVG: 2140200 -6.63354 10.3055 -50.7795 10.3054 -24.5675 -24.9912 -50.7795 -24.9912 15.4705 GPRESSAVG: 2140200 -4.34971 11.9703 -53.4102 8.77921 -27.3669 -24.0392 -51.667 -24.3376 14.9368 TIMING: 2140200 CPU: 6764.2, 0.00312622/step Wall: 6764.2, 0.00312622/step, 2.48344 hours remaining, 237.066406 MB of memory in use. ENERGY: 2140200 4000.0255 20478.5430 14506.6426 244.2321 -203116.9842 2554.8840 0.0000 0.0000 52153.1588 -109179.4983 299.7249 -161332.6571 -108813.5737 298.4787 8.3113 35.0339 762646.4763 -5.2435 -5.5933 LDB: ============= START OF LOAD BALANCING ============== 6776.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6776.73 LDB: =============== DONE WITH MIGRATION ================ 6776.73 LDB: ============= START OF LOAD BALANCING ============== 6777.05 LDB: Largest compute 7058 load 0.029029 is 14.9% of average load 0.195475 LDB: Average compute 0.004396 is 2.2% of average load 0.195475 LDB: TIME 6777.05 LOAD: AVG 0.195475 MAX 0.216461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 6777.05 LOAD: AVG 0.195475 MAX 0.216461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 6777.05 LOAD: AVG 0.195475 MAX 0.216461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 6777.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6777.06 PRESSURE: 2140400 41.2636 -63.1198 23.6871 -63.1207 -236.583 60.068 23.6868 60.0693 52.0298 GPRESSURE: 2140400 109.569 -23.3449 -15.1131 -71.0493 -190.408 82.6433 -64.184 80.9792 27.1675 PRESSAVG: 2140400 19.3978 -9.60666 35.0449 -9.60664 -45.8262 -18.8771 35.0449 -18.8771 25.6084 GPRESSAVG: 2140400 18.4491 -9.09066 34.2434 -6.76232 -45.0946 -19.6507 36.0159 -19.5309 25.7936 TIMING: 2140400 CPU: 6764.84, 0.0031989/step Wall: 6764.84, 0.0031989/step, 2.54099 hours remaining, 234.882812 MB of memory in use. ENERGY: 2140400 4020.5391 20492.2106 14550.4295 250.8828 -202862.2426 2297.4642 0.0000 0.0000 52182.1631 -109068.5534 299.8916 -161250.7165 -108686.3901 299.5846 -47.7631 -17.8906 760518.4725 -0.2733 -0.2840 PRESSURE: 2140600 -62.6463 -249.192 59.9088 -249.192 -142.527 97.2046 59.9094 97.2043 54.9652 GPRESSURE: 2140600 -76.6608 -182.719 62.4251 -179.066 -71.2229 98.0057 44.4857 56.2692 75.7573 PRESSAVG: 2140600 -27.5027 -19.9569 4.52287 -19.9569 -5.22433 25.2493 4.5229 25.2493 3.70648 GPRESSAVG: 2140600 -28.0177 -19.9725 4.8769 -23.1222 -5.85984 25.9295 5.40336 24.5455 4.34784 TIMING: 2140600 CPU: 6765.47, 0.00313664/step Wall: 6765.47, 0.00313665/step, 2.49137 hours remaining, 234.882812 MB of memory in use. ENERGY: 2140600 3939.1861 20622.6133 14575.0662 244.1424 -203052.3920 2497.5865 0.0000 0.0000 52030.2905 -109143.5070 299.0188 -161173.7975 -108786.7896 299.5010 -50.0693 -24.0421 761678.6100 -9.6735 -9.8432 PRESSURE: 2140800 117.005 34.0415 105.849 34.0415 -23.9745 -39.849 105.848 -39.8498 -382.138 GPRESSURE: 2140800 137.376 -0.878444 93.7398 -57.6188 -7.67148 10.2933 -12.8799 -27.6575 -359.358 PRESSAVG: 2140800 21.1324 -12.2366 -47.4882 -12.2366 -33.6371 -1.45098 -47.4882 -1.45097 14.9809 GPRESSAVG: 2140800 21.45 -14.3284 -46.6446 -11.4292 -32.7105 -3.45622 -50.2435 -1.09121 13.14 TIMING: 2140800 CPU: 6766.1, 0.00314021/step Wall: 6766.1, 0.00314021/step, 2.49403 hours remaining, 234.882812 MB of memory in use. ENERGY: 2140800 3980.4193 20662.6808 14482.2433 244.5416 -203217.5908 2461.0525 0.0000 0.0000 52022.2668 -109364.3866 298.9727 -161386.6534 -109004.0451 299.2530 -96.3692 -76.5511 761209.7537 0.8254 0.6265 PRESSURE: 2141000 132.405 228.666 405.582 228.667 306.25 -115.041 405.583 -115.041 -82.3916 GPRESSURE: 2141000 177.105 175.949 400.34 118.264 349.746 -107.811 286.331 -10.5337 -88.0484 PRESSAVG: 2141000 38.2393 -2.43877 44.2413 -2.43876 -8.66078 -13.3138 44.2413 -13.3139 -11.1809 GPRESSAVG: 2141000 38.0941 1.14395 42.1535 -3.44288 -9.63848 -13.1095 45.875 -12.2794 -9.77235 TIMING: 2141000 CPU: 6766.72, 0.00312961/step Wall: 6766.72, 0.00312961/step, 2.48543 hours remaining, 234.882812 MB of memory in use. ENERGY: 2141000 3973.2860 20496.3691 14557.7985 242.2563 -203575.9620 2964.1954 0.0000 0.0000 52011.4927 -109330.5641 298.9108 -161342.0568 -108969.6733 298.9672 118.7545 146.2673 761278.7722 6.1325 6.2277 PRESSURE: 2141200 143.752 -129.005 -362.825 -129.005 -216.539 134.826 -362.825 134.826 -29.1476 GPRESSURE: 2141200 147.329 -226.17 -401.39 -65.8529 -90.6824 260.99 -154.834 -3.17886 -66.0898 PRESSAVG: 2141200 18.9511 -2.89436 -18.654 -2.89438 -6.47775 -37.6878 -18.654 -37.6878 -2.53966 GPRESSAVG: 2141200 19.2447 -7.08208 -17.8197 -1.09757 -5.90283 -37.1256 -16.624 -39.3313 -3.41194 TIMING: 2141200 CPU: 6767.35, 0.00312172/step Wall: 6767.35, 0.00312172/step, 2.47899 hours remaining, 234.882812 MB of memory in use. ENERGY: 2141200 3991.8216 20469.6861 14606.0402 264.0132 -203546.8759 2741.7166 0.0000 0.0000 52097.4654 -109376.1328 299.4048 -161473.5982 -109021.7721 299.2938 -33.9782 -3.1479 761286.6237 3.3112 3.3100 PRESSURE: 2141400 1.68781 -169.878 139.305 -169.879 96.2718 33.9067 139.304 33.9079 119.827 GPRESSURE: 2141400 60.7138 -110.264 124.763 -152.494 125.095 63.2184 78.8093 52.7763 97.7318 PRESSAVG: 2141400 35.5183 -7.75991 26.1061 -7.75992 -15.098 51.6451 26.106 51.645 15.129 GPRESSAVG: 2141400 36.1035 -7.02769 27.2574 -7.74339 -15.7118 53.2387 21.5719 51.3527 15.1092 TIMING: 2141400 CPU: 6767.97, 0.00312873/step Wall: 6767.97, 0.00312873/step, 2.48439 hours remaining, 234.882812 MB of memory in use. ENERGY: 2141400 3861.6077 20496.0793 14520.5919 243.9284 -203548.9228 2826.5735 0.0000 0.0000 52185.9865 -109414.1554 299.9136 -161600.1419 -109053.8933 299.3059 72.5954 94.5135 761976.5028 11.8497 11.8336 PRESSURE: 2141600 -19.712 -68.0336 -35.0786 -68.0332 -383.678 -291.029 -35.078 -291.029 -279.397 GPRESSURE: 2141600 16.3652 -144.578 -60.7346 -54.9767 -334.9 -289.43 2.82876 -267.973 -307.037 PRESSAVG: 2141600 64.0151 -17.5474 37.633 -17.5474 -29.7847 5.48091 37.6331 5.48082 -3.50351 GPRESSAVG: 2141600 63.2254 -18.4999 36.5437 -16.2352 -29.3776 3.57537 39.2421 5.99085 -3.14868 TIMING: 2141600 CPU: 6768.6, 0.00313027/step Wall: 6768.6, 0.00313027/step, 2.48543 hours remaining, 234.882812 MB of memory in use. ENERGY: 2141600 4087.5849 20434.4710 14523.9408 234.1162 -203202.9827 2484.4740 0.0000 0.0000 52080.8298 -109357.5661 299.3092 -161438.3959 -108997.2672 299.0679 -227.5956 -208.5239 762978.6642 10.2423 10.2330 PRESSURE: 2141800 96.4429 61.7023 -44.7051 61.7022 79.9755 -130.783 -44.7053 -130.784 -141.548 GPRESSURE: 2141800 90.2599 22.1672 -106.863 69.3584 142.459 -108.443 -40.2156 -107.852 -111.987 PRESSAVG: 2141800 73.5478 13.1646 4.27052 13.1647 -34.4562 -29.2371 4.2706 -29.2371 -13.1277 GPRESSAVG: 2141800 74.1065 13.5732 4.93946 11.4477 -35.1743 -31.0473 5.66051 -26.4412 -13.1117 TIMING: 2141800 CPU: 6769.23, 0.00314018/step Wall: 6769.23, 0.00314018/step, 2.49313 hours remaining, 234.882812 MB of memory in use. ENERGY: 2141800 4073.5745 20527.9532 14559.3180 265.9868 -203042.2507 2623.1080 0.0000 0.0000 51803.4050 -109188.9053 297.7149 -160992.3103 -108847.2489 299.0510 11.6234 40.2440 761603.9299 8.6547 8.6068 PRESSURE: 2142000 107.673 -64.1436 23.4489 -64.1441 445.218 283.588 23.4487 283.588 -375.917 GPRESSURE: 2142000 229.488 0.593554 26.0343 -67.2864 385.015 289.7 -58.0508 275.811 -368.119 PRESSAVG: 2142000 -0.850657 -3.27874 30.6195 -3.27873 13.7223 13.6595 30.6195 13.6595 -0.0997918 GPRESSAVG: 2142000 -0.176236 -1.75227 29.5771 -3.28306 14.558 14.9225 29.6196 12.6847 -0.748534 TIMING: 2142000 CPU: 6769.86, 0.00314609/step Wall: 6769.86, 0.00314609/step, 2.49765 hours remaining, 234.882812 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: 2142000 3976.3611 20520.0930 14477.5613 261.5891 -203292.5087 2405.9831 0.0000 0.0000 52199.5644 -109451.3567 299.9916 -161650.9211 -109088.8833 299.0558 58.9913 82.1281 761347.7769 4.2573 4.5444 PRESSURE: 2142200 -11.1152 93.0778 180.969 93.0776 355.963 44.4592 180.968 44.4593 -164.512 GPRESSURE: 2142200 3.47641 77.5916 68.921 167.944 383.086 1.01036 174.509 -63.1193 -122.875 PRESSAVG: 2142200 -6.86117 -28.4675 42.9797 -28.4675 5.72498 33.1404 42.9797 33.1404 2.48775 GPRESSAVG: 2142200 -8.87873 -27.5561 44.8821 -29.6553 6.11051 34.0031 43.2857 32.1249 3.51975 TIMING: 2142200 CPU: 6770.48, 0.00314107/step Wall: 6770.48, 0.00314107/step, 2.49348 hours remaining, 234.882812 MB of memory in use. ENERGY: 2142200 3874.9809 20513.8311 14560.7904 238.7695 -202976.0051 2300.2696 0.0000 0.0000 52023.0244 -109464.3392 298.9770 -161487.3636 -109104.9834 299.1516 60.1122 87.8960 761075.5038 0.4505 0.2505 PRESSURE: 2142400 315.212 -189.041 60.9391 -189.041 224.282 -172.696 60.94 -172.696 -436.002 GPRESSURE: 2142400 338.211 -203.915 -7.78831 -209.739 215.751 -107.985 90.4701 -313.892 -363.58 PRESSAVG: 2142400 -3.11441 -23.9121 30.5436 -23.9121 9.04545 -30.2641 30.5435 -30.2642 14.7695 GPRESSAVG: 2142400 -2.60969 -26.5362 30.9575 -22.6708 7.87816 -28.4268 30.4516 -32.1707 15.7591 TIMING: 2142400 CPU: 6771.11, 0.00313369/step Wall: 6771.11, 0.00313369/step, 2.48745 hours remaining, 234.882812 MB of memory in use. ENERGY: 2142400 3950.9489 20503.2771 14492.1507 251.1255 -203623.4633 2699.9459 0.0000 0.0000 52216.5101 -109509.5051 300.0890 -161726.0152 -109147.9090 299.0448 34.4971 63.4607 760734.1568 6.9002 7.0092 PRESSURE: 2142600 -153.366 -103.684 42.1259 -103.685 -47.3582 150.493 42.1258 150.493 248.207 GPRESSURE: 2142600 -110.487 128.136 -83.9314 -202.605 44.1024 198.514 139.858 20.0378 205.928 PRESSAVG: 2142600 -26.5686 -3.70312 4.95592 -3.70313 5.48239 24.3834 4.95596 24.3834 -17.6018 GPRESSAVG: 2142600 -26.5545 -2.34997 2.59941 -4.90354 7.02485 21.7404 6.33527 26.715 -18.8244 TIMING: 2142600 CPU: 6771.74, 0.00313008/step Wall: 6771.74, 0.00313008/step, 2.48441 hours remaining, 234.882812 MB of memory in use. ENERGY: 2142600 3940.4035 20518.6368 14552.0739 249.8282 -203314.0479 2632.8323 0.0000 0.0000 52044.8461 -109375.4270 299.1024 -161420.2731 -109009.4620 298.9035 15.8279 46.5145 763079.3972 -12.8960 -12.7847 PRESSURE: 2142800 57.1695 57.0269 -216.939 57.0264 235.538 120.321 -216.941 120.32 -377.672 GPRESSURE: 2142800 100.167 -98.4954 -164.998 -2.83214 252.436 58.2581 -140.342 133.391 -351.443 PRESSAVG: 2142800 -0.563434 16.0477 -5.76283 16.0476 41.9981 45.1194 -5.76284 45.1194 32.8956 GPRESSAVG: 2142800 1.38587 14.3951 -3.40938 17.0681 40.7369 43.7774 -6.20829 45.1267 31.9312 TIMING: 2142800 CPU: 6772.36, 0.00312589/step Wall: 6772.36, 0.00312589/step, 2.48092 hours remaining, 234.882812 MB of memory in use. ENERGY: 2142800 4003.5739 20518.6727 14571.0727 264.4032 -203338.8689 2787.0377 0.0000 0.0000 52084.3059 -109109.8029 299.3292 -161194.1088 -108740.9522 299.1416 -28.3215 0.3867 762310.3282 24.7768 24.6847 PRESSURE: 2143000 -97.2222 -9.8187 6.16109 -9.81907 73.9872 282.565 6.16024 282.565 269.969 GPRESSURE: 2143000 -91.142 11.7364 -60.278 -43.1855 192.325 252.292 -64.632 328.8 229.29 PRESSAVG: 2143000 -1.20944 -9.27837 4.71091 -9.27834 -18.0868 49.519 4.71079 49.519 -2.0422 GPRESSAVG: 2143000 -2.25423 -8.65358 3.28091 -10.1179 -16.9734 49.9209 4.96192 48.2824 -1.50553 TIMING: 2143000 CPU: 6772.99, 0.00313506/step Wall: 6772.99, 0.00313506/step, 2.48802 hours remaining, 234.882812 MB of memory in use. ENERGY: 2143000 3974.3587 20570.8312 14563.3985 257.3489 -203002.1794 2479.4439 0.0000 0.0000 52036.2788 -109120.5193 299.0532 -161156.7981 -108747.4741 299.5801 82.2446 110.1578 763881.1895 -7.1128 -6.9110 PRESSURE: 2143200 -57.3847 56.1536 142.059 56.154 -73.7896 -105.114 142.057 -105.114 109.135 GPRESSURE: 2143200 -44.3301 11.9267 71.004 0.0295883 14.5076 5.81849 205.698 -118.637 109.793 PRESSAVG: 2143200 30.6993 -26.9456 18.2879 -26.9455 0.614243 43.4562 18.288 43.4562 3.79717 GPRESSAVG: 2143200 30.0469 -24.7661 18.2334 -26.9677 1.20945 44.3906 16.7771 45.4335 3.60013 TIMING: 2143200 CPU: 6773.61, 0.00312542/step Wall: 6773.61, 0.00312542/step, 2.4802 hours remaining, 234.882812 MB of memory in use. ENERGY: 2143200 3902.5393 20444.9162 14561.5101 226.5261 -203197.2215 2820.2356 0.0000 0.0000 52259.8352 -108981.6588 300.3380 -161241.4941 -108606.4359 299.5527 -7.3465 26.6570 762008.3563 11.7036 11.6188 PRESSURE: 2143400 -477.817 265.653 -144.667 265.654 -272.552 -51.9261 -144.666 -51.9272 -191.609 GPRESSURE: 2143400 -326.195 97.1571 -104.995 208.792 -308.912 -25.4971 1.89713 76.6125 -230.046 PRESSAVG: 2143400 20.4259 1.42232 -3.12628 1.42224 11.002 64.1545 -3.12636 64.1545 2.58612 GPRESSAVG: 2143400 22.5732 0.173486 -3.54262 0.585847 8.85174 63.4923 -2.45541 63.429 2.75606 TIMING: 2143400 CPU: 6774.24, 0.00312992/step Wall: 6774.24, 0.00312992/step, 2.48359 hours remaining, 234.882812 MB of memory in use. ENERGY: 2143400 3986.4748 20391.0918 14544.3160 238.1151 -202973.7879 2412.8061 0.0000 0.0000 52338.9993 -109061.9849 300.7929 -161400.9842 -108699.2149 299.8243 -313.9930 -288.3840 762717.2478 11.3380 11.3937 PRESSURE: 2143600 -78.8471 -288.205 -113.867 -288.205 471.359 -98.3393 -113.867 -98.3392 146.31 GPRESSURE: 2143600 -29.9957 -335.356 -134.633 -351.497 492.433 -139.613 -191.549 -2.38339 168.09 PRESSAVG: 2143600 26.1612 -55.3751 6.28176 -55.3751 -7.76698 -22.5011 6.28178 -22.501 21.6407 GPRESSAVG: 2143600 24.1325 -55.4302 5.83516 -53.8521 -5.39878 -21.1647 6.28196 -23.179 21.4679 TIMING: 2143600 CPU: 6774.87, 0.00314435/step Wall: 6774.87, 0.00314435/step, 2.49487 hours remaining, 234.882812 MB of memory in use. ENERGY: 2143600 3966.4788 20484.8850 14587.5292 253.7104 -203532.9985 2964.8266 0.0000 0.0000 52265.2966 -109010.2718 300.3694 -161275.5684 -108649.0369 300.0542 179.6072 210.1757 761484.3810 13.3450 13.4005 PRESSURE: 2143800 -290.281 127.94 259.549 127.941 14.9104 46.4406 259.55 46.4398 -420.829 GPRESSURE: 2143800 -242.552 133.678 225.261 125.692 41.5604 61.0402 170.921 -51.6782 -421.296 PRESSAVG: 2143800 25.6781 -50.3646 -27.9875 -50.3646 0.395404 -37.0153 -27.9875 -37.0154 5.05005 GPRESSAVG: 2143800 26.5427 -48.1962 -27.6887 -51.2864 -0.984112 -35.6165 -27.6913 -37.3771 5.08986 TIMING: 2143800 CPU: 6775.5, 0.00313822/step Wall: 6775.5, 0.00313822/step, 2.48983 hours remaining, 234.882812 MB of memory in use. ENERGY: 2143800 4049.2956 20465.7839 14554.3890 239.2674 -202736.6386 2246.0424 0.0000 0.0000 52257.0829 -108924.7772 300.3222 -161181.8601 -108558.5209 299.7987 -232.0664 -207.4291 762405.8340 10.3745 10.2162 PRESSURE: 2144000 293.243 -137.454 -173.243 -137.454 -54.8288 -23.214 -173.243 -23.2146 -27.6442 GPRESSURE: 2144000 345.928 -134.758 -163.9 -99.4371 37.2762 47.3251 -164.2 -67.9343 -74.6599 PRESSAVG: 2144000 -0.154104 -16.425 -1.52391 -16.425 -16.9596 -15.0959 -1.524 -15.096 0.645367 GPRESSAVG: 2144000 -0.329672 -17.3809 -1.50492 -14.5942 -16.8272 -15.3667 -1.35231 -15.2338 0.650651 TIMING: 2144000 CPU: 6776.13, 0.00314904/step Wall: 6776.13, 0.00314904/step, 2.49824 hours remaining, 234.882812 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: 2144000 4027.6640 20627.6068 14586.7732 250.6324 -203320.5977 2722.3390 0.0000 0.0000 52205.8304 -108899.7519 300.0276 -161105.5823 -108541.8765 300.3084 70.2566 102.8482 761875.4801 -5.4894 -5.5021 PRESSURE: 2144200 -41.3863 -192.365 56.4291 -192.364 -66.7798 204.852 56.4293 204.852 -260.04 GPRESSURE: 2144200 -20.7839 -108.153 98.868 -120.69 -105.491 210.507 13.7431 123.297 -162.845 PRESSAVG: 2144200 46.9341 -5.50343 -42.0544 -5.50338 -35.5915 -18.167 -42.0544 -18.167 -13.5251 GPRESSAVG: 2144200 47.0831 -7.63717 -41.2215 -4.58546 -35.1344 -18.5257 -44.0202 -19.2873 -13.9873 TIMING: 2144200 CPU: 6776.75, 0.00313051/step Wall: 6776.75, 0.00313051/step, 2.48336 hours remaining, 234.882812 MB of memory in use. ENERGY: 2144200 4030.8911 20640.5182 14572.3220 256.3724 -202874.6066 2381.6167 0.0000 0.0000 52122.5486 -108870.3377 299.5490 -160992.8863 -108503.5304 299.9740 -122.7353 -96.3735 764725.5373 -0.7275 -0.6796 LDB: ============= START OF LOAD BALANCING ============== 6789.28 LDB: ============== END OF LOAD BALANCING =============== 6789.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6789.29 LDB: ============= START OF LOAD BALANCING ============== 6789.6 LDB: Largest compute 7050 load 0.030782 is 15.8% of average load 0.195407 LDB: Average compute 0.004402 is 2.3% of average load 0.195407 LDB: TIME 6789.6 LOAD: AVG 0.195407 MAX 0.21531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 6789.6 LOAD: AVG 0.195407 MAX 0.21531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.461 MB LDB: TIME 6789.6 LOAD: AVG 0.195407 MAX 0.21531 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.461 MB LDB: ============== END OF LOAD BALANCING =============== 6789.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6789.61 PRESSURE: 2144400 10.2728 22.2208 2.55236 22.221 -470.876 54.9822 2.55269 54.982 133.27 GPRESSURE: 2144400 130.725 10.4668 -11.276 -80.0938 -502.84 52.3649 129.832 100.72 136.397 PRESSAVG: 2144400 52.0322 -66.2956 -0.582383 -66.2957 -68.9497 19.6592 -0.582296 19.6592 -7.15153 GPRESSAVG: 2144400 53.017 -66.3733 -0.613525 -67.1347 -70.56 18.3287 -0.0269124 22.3903 -6.39335 TIMING: 2144400 CPU: 6777.39, 0.0031988/step Wall: 6777.39, 0.0031988/step, 2.53736 hours remaining, 235.710938 MB of memory in use. ENERGY: 2144400 4048.4545 20389.8227 14478.2323 214.9935 -203325.0138 2783.0497 0.0000 0.0000 52199.3804 -109211.0806 299.9906 -161410.4610 -108848.4090 299.6834 -109.1110 -78.5726 763417.3234 -8.0230 -7.9788 PRESSURE: 2144600 -5.62793 -191.755 -159.736 -191.756 40.2353 -102.223 -159.736 -102.224 -61.0529 GPRESSURE: 2144600 -58.2423 -207.736 -184.792 -198.462 116.797 -64.0822 -121.924 -62.2027 -4.357 PRESSAVG: 2144600 43.0624 -10.2606 47.497 -10.2606 -47.6759 3.99921 47.497 3.99913 -8.10935 GPRESSAVG: 2144600 42.523 -9.47928 46.8323 -10.284 -46.7137 3.67777 47.2202 3.98073 -8.6219 TIMING: 2144600 CPU: 6778.02, 0.00313016/step Wall: 6778.02, 0.00313016/step, 2.48274 hours remaining, 235.710938 MB of memory in use. ENERGY: 2144600 3964.3284 20576.0058 14522.3406 255.7117 -202876.3866 2350.4549 0.0000 0.0000 51978.9741 -109228.5711 298.7239 -161207.5452 -108872.3254 299.5315 -8.8152 18.0660 763637.3405 -4.2409 -4.2709 PRESSURE: 2144800 -29.9726 32.5358 122.677 32.5355 -423.992 -247.168 122.677 -247.167 -260.252 GPRESSURE: 2144800 -22.9279 119.899 164.945 103.083 -340.954 -91.5573 89.6498 -318.961 -274.627 PRESSAVG: 2144800 -0.829454 -6.15154 -41.6455 -6.15159 18.6482 -42.8323 -41.6456 -42.8323 44.0646 GPRESSAVG: 2144800 -1.91968 -8.22933 -41.9829 -4.9094 19.1904 -41.6354 -40.1798 -45.2859 44.3269 TIMING: 2144800 CPU: 6778.65, 0.00314839/step Wall: 6778.65, 0.00314839/step, 2.49702 hours remaining, 235.710938 MB of memory in use. ENERGY: 2144800 3956.1388 20524.0484 14520.8283 247.8802 -203229.2046 2429.1538 0.0000 0.0000 52304.2718 -109246.8833 300.5934 -161551.1550 -108881.2171 299.5577 -238.0723 -212.8364 763237.0175 20.6278 20.5325 PRESSURE: 2145000 -329.974 98.8588 -137.88 98.8591 -231.194 152.595 -137.88 152.593 -65.1889 GPRESSURE: 2145000 -317.124 268.649 -195.434 49.8777 -189.021 228.995 -68.4082 103.756 -57.7302 PRESSAVG: 2145000 27.9926 10.2946 -0.934491 10.2946 -74.1015 -14.0938 -0.934395 -14.0937 -17.1561 GPRESSAVG: 2145000 27.439 12.9925 -1.49004 7.73462 -74.5044 -14.2466 0.828438 -13.3587 -16.1553 TIMING: 2145000 CPU: 6779.28, 0.00314332/step Wall: 6779.28, 0.00314332/step, 2.49282 hours remaining, 235.710938 MB of memory in use. ENERGY: 2145000 4002.4705 20609.6026 14532.1022 269.1737 -203286.6106 2598.9200 0.0000 0.0000 52121.6584 -109152.6832 299.5439 -161274.3417 -108793.0049 299.7414 -208.7858 -187.9582 761695.8549 -21.0883 -21.0735 PRESSURE: 2145200 -17.3988 12.3218 78.1781 12.3216 -158.52 -72.7913 78.1777 -72.7919 313.738 GPRESSURE: 2145200 58.0467 -37.09 107.386 -89.8732 -160.435 3.06996 9.9739 -51.5643 303.76 PRESSAVG: 2145200 33.2544 -4.83022 -11.6921 -4.83025 -67.3431 32.7294 -11.6921 32.7293 9.08582 GPRESSAVG: 2145200 34.6856 -2.47443 -12.626 -3.96916 -67.6613 32.163 -13.6296 32.9226 7.95741 TIMING: 2145200 CPU: 6779.9, 0.00313364/step Wall: 6779.9, 0.00313364/step, 2.48497 hours remaining, 235.710938 MB of memory in use. ENERGY: 2145200 3885.0373 20555.1048 14536.3615 236.0644 -203364.1719 2644.1543 0.0000 0.0000 52256.5164 -109250.9332 300.3189 -161507.4496 -108886.5121 299.3045 45.9398 67.1238 761924.1267 -8.3343 -8.3394 PRESSURE: 2145400 20.6889 -171.802 -25.0643 -171.802 -119.643 67.4678 -25.0642 67.4674 -87.0385 GPRESSURE: 2145400 91.0483 -177.693 -145.876 -143.466 -105.754 38.8739 -136.792 37.1977 -80.3331 PRESSAVG: 2145400 -15.923 -26.2619 10.7719 -26.2619 -67.4392 -24.9734 10.7718 -24.9734 -1.47431 GPRESSAVG: 2145400 -14.9307 -27.6868 12.8851 -26.0283 -67.9002 -23.8913 8.72816 -24.3932 -1.96236 TIMING: 2145400 CPU: 6780.53, 0.00313637/step Wall: 6780.53, 0.00313637/step, 2.48697 hours remaining, 235.695312 MB of memory in use. ENERGY: 2145400 3982.3752 20615.5952 14566.9343 263.8689 -203454.7930 2809.5369 0.0000 0.0000 52053.7622 -109162.7203 299.1537 -161216.4824 -108796.6849 299.4562 -61.9976 -31.6795 763199.8533 -28.2788 -28.2644 PRESSURE: 2145600 60.0617 -12.5794 11.169 -12.5794 -331.169 -4.53569 11.1693 -4.53532 -102.478 GPRESSURE: 2145600 28.5623 13.3894 20.6866 -131.785 -267.5 -23.5649 110.183 159.548 -53.8485 PRESSAVG: 2145600 70.7124 15.1258 63.0484 15.1258 -59.6507 1.56152 63.0484 1.56147 2.77325 GPRESSAVG: 2145600 69.0778 15.3771 62.823 13.0738 -59.0549 -0.0626542 64.3688 3.32254 3.29449 TIMING: 2145600 CPU: 6781.16, 0.00314232/step Wall: 6781.16, 0.00314232/step, 2.49151 hours remaining, 235.695312 MB of memory in use. ENERGY: 2145600 4045.8071 20540.8823 14488.7519 257.7319 -203049.9719 2502.6012 0.0000 0.0000 52043.7076 -109170.4899 299.0959 -161214.1975 -108810.2369 299.7386 -124.5283 -97.5953 763505.7208 4.6117 4.4391 PRESSURE: 2145800 97.5515 -94.0513 -114.081 -94.052 -296.051 113.964 -114.081 113.965 -654.463 GPRESSURE: 2145800 165.565 -122.516 -116.401 -100.131 -377.747 79.7744 -112.955 57.9817 -553.729 PRESSAVG: 2145800 26.2267 -27.8441 -32.0284 -27.844 24.7302 42.9831 -32.0283 42.9831 7.29586 GPRESSAVG: 2145800 28.2642 -29.3333 -32.5997 -26.9711 22.5993 44.1276 -30.1842 41.6103 7.83299 TIMING: 2145800 CPU: 6781.79, 0.0031575/step Wall: 6781.79, 0.0031575/step, 2.50337 hours remaining, 236.121094 MB of memory in use. ENERGY: 2145800 3998.5932 20600.9451 14495.8913 272.8283 -203092.6863 2589.7107 0.0000 0.0000 52026.1249 -109108.5927 298.9949 -161134.7176 -108744.6100 299.8440 -284.3210 -255.3037 760055.6399 19.4176 19.5655 PRESSURE: 2146000 -41.1119 29.412 11.671 29.412 -291.467 169.704 11.6711 169.704 -176.989 GPRESSURE: 2146000 13.3575 71.7865 34.1299 -52.0098 -236.65 119.785 6.04447 312.759 -208.976 PRESSAVG: 2146000 55.7883 2.98943 -3.29523 2.9894 -38.3199 -9.98992 -3.29522 -9.98985 2.16527 GPRESSAVG: 2146000 54.1891 4.79873 -2.51286 2.12341 -36.4973 -10.2014 -6.52443 -9.79961 1.70392 TIMING: 2146000 CPU: 6782.42, 0.00315999/step Wall: 6782.42, 0.00315999/step, 2.50517 hours remaining, 236.121094 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: 2146000 4050.7180 20479.2828 14571.6178 236.8106 -203264.0219 2523.1788 0.0000 0.0000 52182.2859 -109220.1279 299.8923 -161402.4138 -108857.9171 299.9330 -169.8560 -144.0894 759522.8074 6.5446 6.4652 PRESSURE: 2146200 -288.805 41.0665 8.50343 41.0671 348.393 -23.0406 8.50351 -23.0397 94.9425 GPRESSURE: 2146200 -153.046 107.107 48.8851 -52.4782 283.518 -76.1734 15.593 22.7202 115.57 PRESSAVG: 2146200 33.2751 11.3008 17.3929 11.3009 -8.3647 10.3875 17.3929 10.3875 7.36787 GPRESSAVG: 2146200 33.8303 10.2049 17.3072 11.4071 -8.19341 8.65167 20.5346 10.3206 6.30981 TIMING: 2146200 CPU: 6783.05, 0.00313195/step Wall: 6783.05, 0.00313195/step, 2.48277 hours remaining, 236.121094 MB of memory in use. ENERGY: 2146200 4047.8266 20600.3036 14502.4311 251.8123 -203358.7311 2717.0980 0.0000 0.0000 52185.4287 -109053.8306 299.9104 -161239.2594 -108698.0521 300.2469 51.5103 82.0137 760064.0883 10.7594 10.6489 PRESSURE: 2146400 0.597886 157.053 18.873 157.053 -148.753 -302.815 18.872 -302.816 230.199 GPRESSURE: 2146400 41.0991 138.195 -78.3725 126.486 -88.1111 -221.813 118.363 -277.91 216.097 PRESSAVG: 2146400 22.3502 -16.374 -32.4478 -16.374 -3.54387 -51.6405 -32.4477 -51.6405 -5.45937 GPRESSAVG: 2146400 20.8519 -15.9368 -32.4533 -16.1778 -3.60572 -51.5014 -35.1568 -49.8828 -4.15152 TIMING: 2146400 CPU: 6783.68, 0.0031337/step Wall: 6783.68, 0.0031337/step, 2.48398 hours remaining, 236.121094 MB of memory in use. ENERGY: 2146400 3991.0414 20562.9263 14547.7029 243.1556 -203452.5414 2733.3117 0.0000 0.0000 52206.7550 -109167.6485 300.0329 -161374.4035 -108810.7482 300.0338 27.3480 56.3618 762100.3799 4.4490 4.3649 PRESSURE: 2146600 388.716 -264.264 59.0996 -264.263 47.935 -3.37547 59.0996 -3.37537 -61.9524 GPRESSURE: 2146600 346.758 -279.362 133.876 -231.18 116.852 -75.8262 108.422 -86.8836 -20.5151 PRESSAVG: 2146600 30.0036 -18.8761 1.63373 -18.876 -48.0136 -3.29601 1.6337 -3.29602 -6.41409 GPRESSAVG: 2146600 30.9532 -20.685 1.3846 -15.2825 -47.8687 -2.29704 3.52399 -4.26335 -7.75075 TIMING: 2146600 CPU: 6784.3, 0.00313594/step Wall: 6784.3, 0.00313594/step, 2.48558 hours remaining, 236.121094 MB of memory in use. ENERGY: 2146600 4009.7105 20585.5609 14510.7933 251.9380 -203719.8073 2742.6421 0.0000 0.0000 52404.7008 -109214.4617 301.1705 -161619.1625 -108849.9548 299.8691 124.8996 147.6982 760771.1942 -8.1414 -8.2221 PRESSURE: 2146800 238.616 -2.29871 -19.628 -2.29877 370.932 264.647 -19.6289 264.646 243.016 GPRESSURE: 2146800 178.071 -32.658 -61.4086 42.3248 423.38 294.647 -119.072 157.542 316.179 PRESSAVG: 2146800 6.80693 -27.6853 -19.1752 -27.6853 -43.0042 23.9538 -19.1752 23.9538 14.8778 GPRESSAVG: 2146800 6.8796 -25.0988 -19.3255 -29.8311 -44.6553 22.975 -18.8421 23.244 16.8556 TIMING: 2146800 CPU: 6784.93, 0.00315645/step Wall: 6784.93, 0.00315645/step, 2.50166 hours remaining, 236.121094 MB of memory in use. ENERGY: 2146800 4016.8421 20563.8657 14529.4828 262.9910 -203584.3374 2813.2991 0.0000 0.0000 52302.3101 -109095.5466 300.5821 -161397.8567 -108731.9902 300.0265 284.1880 305.8768 760688.4716 -7.1065 -6.9734 PRESSURE: 2147000 -117.252 87.6576 -321.789 87.6578 -68.1863 122.282 -321.79 122.281 -120.919 GPRESSURE: 2147000 -77.5231 11.9036 -354.903 -19.4998 -50.5418 135.29 -315.261 193.666 -94.8107 PRESSAVG: 2147000 0.291269 10.5053 -35.4056 10.5052 -34.2777 38.7462 -35.4056 38.7463 10.139 GPRESSAVG: 2147000 0.54912 8.91106 -34.0255 9.01299 -32.6532 38.9321 -38.1319 38.9079 8.5986 TIMING: 2147000 CPU: 6785.57, 0.00315876/step Wall: 6785.57, 0.00315876/step, 2.50331 hours remaining, 236.121094 MB of memory in use. ENERGY: 2147000 4071.9357 20568.1020 14536.5584 233.0717 -203091.8423 2492.3996 0.0000 0.0000 52326.1537 -108863.6212 300.7191 -161189.7749 -108496.9615 300.3553 -102.1192 -74.2919 762770.1282 -7.9492 -7.8351 PRESSURE: 2147200 -70.3552 30.6163 -83.311 30.6158 -127.37 -36.0361 -83.3107 -36.0359 -405.978 GPRESSURE: 2147200 -95.5152 29.9201 -152.319 147.898 -125.405 -32.8303 -100.971 54.3489 -279.008 PRESSAVG: 2147200 20.0169 32.7204 -36.0496 32.7204 -49.6483 -56.1811 -36.0496 -56.1811 5.97576 GPRESSAVG: 2147200 19.3442 33.1154 -37.1864 35.9087 -50.297 -57.3868 -33.0901 -55.2655 7.4435 TIMING: 2147200 CPU: 6786.2, 0.00314844/step Wall: 6786.2, 0.00314844/step, 2.49497 hours remaining, 236.121094 MB of memory in use. ENERGY: 2147200 4013.3774 20522.2790 14567.5446 249.8489 -203092.9592 2506.8381 0.0000 0.0000 52348.7790 -108884.2921 300.8492 -161233.0711 -108515.2769 300.7612 -201.2341 -166.6426 760107.7802 -7.8852 -7.8364 PRESSURE: 2147400 283.06 99.2082 70.2777 99.2095 -129.323 20.5118 70.2786 20.5123 -238.227 GPRESSURE: 2147400 272.315 -101.67 7.56763 51.4704 -167.008 93.8175 138.156 0.576081 -109.099 PRESSAVG: 2147400 3.4169 23.1144 -33.0361 23.1144 4.04424 26.038 -33.0362 26.038 2.80411 GPRESSAVG: 2147400 4.21442 23.3853 -32.2294 18.5483 3.21959 28.0874 -34.2529 24.1012 3.05358 TIMING: 2147400 CPU: 6786.82, 0.0031354/step Wall: 6786.82, 0.0031354/step, 2.48446 hours remaining, 236.121094 MB of memory in use. ENERGY: 2147400 4095.2314 20675.3824 14557.2772 239.9470 -203417.7104 2753.9416 0.0000 0.0000 51983.5061 -109112.4246 298.7499 -161095.9307 -108749.1975 300.2191 -28.1632 -1.2642 761731.2407 3.4217 3.4959 PRESSURE: 2147600 303.228 -269.35 21.2933 -269.35 324.708 19.2807 21.2936 19.2823 351.437 GPRESSURE: 2147600 320.26 -96.1306 -44.1559 -330.212 373.396 -117.51 63.6739 104.797 367.536 PRESSAVG: 2147600 22.8086 0.132541 -19.1121 0.132515 -50.6252 -0.245234 -19.1121 -0.245178 7.98396 GPRESSAVG: 2147600 24.2694 0.225092 -20.3445 2.68729 -49.7216 -1.61122 -18.0073 -0.229186 5.57198 TIMING: 2147600 CPU: 6787.45, 0.00313764/step Wall: 6787.45, 0.00313764/step, 2.48606 hours remaining, 236.121094 MB of memory in use. ENERGY: 2147600 4012.3619 20640.9695 14531.4084 244.5868 -203620.5489 2883.3631 0.0000 0.0000 52080.9560 -109226.9034 299.3100 -161307.8593 -108864.9937 299.5871 326.4576 353.7305 762741.8714 -6.6109 -6.6267 PRESSURE: 2147800 -222.992 -155.239 123.057 -155.239 -214.767 -38.2403 123.057 -38.2403 54.1702 GPRESSURE: 2147800 -205.884 -230.369 164.308 -63.8492 -92.4623 -137.28 78.9746 -31.3694 -2.32373 PRESSAVG: 2147800 13.6016 -68.1936 -30.4156 -68.1936 0.547262 31.2233 -30.4157 31.2233 -23.1804 GPRESSAVG: 2147800 12.3055 -67.7574 -28.6261 -67.7695 0.237337 31.9145 -34.4344 30.1236 -21.6666 TIMING: 2147800 CPU: 6788.08, 0.00314566/step Wall: 6788.08, 0.00314566/step, 2.49223 hours remaining, 236.121094 MB of memory in use. ENERGY: 2147800 4023.4971 20490.0423 14463.5461 234.3429 -203273.8301 2506.1265 0.0000 0.0000 52360.6951 -109195.5802 300.9176 -161556.2753 -108828.9991 300.0703 -127.8628 -100.2234 763924.0272 -3.0105 -3.0413 PRESSURE: 2148000 -209.108 190.757 -129.28 190.757 -138.114 69.4398 -129.281 69.44 -300.338 GPRESSURE: 2148000 -236.764 181.961 -53.1213 15.0605 -41.31 135.11 -9.71172 -17.764 -290.309 PRESSAVG: 2148000 -4.20708 10.2695 -0.0970585 10.2695 -34.1879 -38.2796 -0.0970389 -38.2796 -27.2104 GPRESSAVG: 2148000 -6.39401 8.94018 -1.84533 8.96258 -34.268 -37.138 3.41704 -37.0861 -25.2056 TIMING: 2148000 CPU: 6788.71, 0.00315911/step Wall: 6788.71, 0.00315911/step, 2.50271 hours remaining, 236.121094 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: 2148000 4097.4307 20522.3667 14506.2514 242.9009 -203604.4011 3160.5432 0.0000 0.0000 51918.0405 -109156.8678 298.3737 -161074.9082 -108791.8651 299.5095 -215.8531 -189.4610 764395.3321 -21.8685 -21.9559 PRESSURE: 2148200 -216.4 -241.54 215.379 -241.541 84.0094 -175.345 215.38 -175.345 133.201 GPRESSURE: 2148200 -239.747 -189.407 218.911 -195.214 138.773 -34.1199 109.241 -279.644 178.66 PRESSAVG: 2148200 -1.90761 -5.63928 -56.0488 -5.63927 28.6382 28.2215 -56.0488 28.2215 55.1074 GPRESSAVG: 2148200 -0.164854 -6.96021 -54.8999 -4.58289 28.8953 27.0159 -55.4394 27.055 52.9717 TIMING: 2148200 CPU: 6789.34, 0.00313832/step Wall: 6789.34, 0.00313832/step, 2.48608 hours remaining, 236.121094 MB of memory in use. ENERGY: 2148200 4059.8011 20541.0096 14531.1328 225.2110 -203284.2255 2637.1700 0.0000 0.0000 52148.3555 -109141.5456 299.6973 -161289.9011 -108780.1168 299.3206 0.2701 25.8951 763718.2273 27.2793 27.2341 LDB: ============= START OF LOAD BALANCING ============== 6801.87 LDB: ============== END OF LOAD BALANCING =============== 6801.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6801.87 LDB: ============= START OF LOAD BALANCING ============== 6802.19 LDB: Largest compute 6989 load 0.030914 is 15.8% of average load 0.195395 LDB: Average compute 0.004390 is 2.2% of average load 0.195395 LDB: TIME 6802.19 LOAD: AVG 0.195395 MAX 0.214699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.676 MB LDB: TIME 6802.19 LOAD: AVG 0.195395 MAX 0.214699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.879 MB LDB: TIME 6802.19 LOAD: AVG 0.195395 MAX 0.214699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.879 MB LDB: ============== END OF LOAD BALANCING =============== 6802.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6802.2 PRESSURE: 2148400 100.67 -94.5438 141.395 -94.5442 -244.622 -14.796 141.395 -14.7965 -356.189 GPRESSURE: 2148400 108.809 -65.4546 143.188 -153.065 -214.158 -83.1881 147.097 -66.0181 -322.257 PRESSAVG: 2148400 -5.58929 -15.1242 -58.9355 -15.1242 28.5557 23.0422 -58.9355 23.042 -3.97414 GPRESSAVG: 2148400 -6.03958 -14.3182 -58.9718 -15.3898 28.3272 21.8013 -62.3114 23.6928 -4.06204 TIMING: 2148400 CPU: 6789.98, 0.00320694/step Wall: 6789.98, 0.00320694/step, 2.54025 hours remaining, 235.394531 MB of memory in use. ENERGY: 2148400 3952.0260 20617.8665 14581.3868 233.1105 -203484.1669 2704.2800 0.0000 0.0000 52142.6783 -109252.8189 299.6647 -161395.4972 -108887.2959 299.5590 -166.7137 -142.5354 764485.0989 6.3308 6.0752 PRESSURE: 2148600 -384.284 -63.7034 14.6934 -63.7034 -51.73 182.134 14.6938 182.133 -359.477 GPRESSURE: 2148600 -286.398 4.10495 3.40813 15.0714 -118.929 91.5618 10.7123 105.45 -309.104 PRESSAVG: 2148600 -5.89604 -47.764 -0.978999 -47.7639 -15.5258 -30.839 -0.979025 -30.839 -11.6954 GPRESSAVG: 2148600 -5.90469 -47.8862 0.226386 -46.8502 -14.5402 -30.9316 1.29362 -29.3554 -12.564 TIMING: 2148600 CPU: 6790.61, 0.00313183/step Wall: 6790.61, 0.00313183/step, 2.48058 hours remaining, 235.597656 MB of memory in use. ENERGY: 2148600 3951.6668 20556.7171 14578.0318 241.9158 -203274.4672 2631.9843 0.0000 0.0000 52075.1525 -109238.9989 299.2766 -161314.1514 -108870.1841 299.2976 -265.1637 -238.1436 763913.2987 -11.0391 -11.0030 PRESSURE: 2148800 -214.303 -188.646 15.8261 -188.646 -46.4257 75.2766 15.8261 75.2768 -348.031 GPRESSURE: 2148800 -136.94 -258.705 28.2254 -162.375 -36.6642 -18.3352 -69.208 203.909 -354.13 PRESSAVG: 2148800 -5.22688 -37.4114 -38.6058 -37.4114 29.7235 -8.75945 -38.6059 -8.75955 2.09527 GPRESSAVG: 2148800 -4.76228 -35.7541 -41.3945 -37.9639 29.522 -8.26353 -38.0015 -8.86292 2.44452 TIMING: 2148800 CPU: 6791.24, 0.00315179/step Wall: 6791.24, 0.00315179/step, 2.49622 hours remaining, 235.597656 MB of memory in use. ENERGY: 2148800 4051.8794 20477.0933 14520.5458 258.5710 -202878.6341 2424.2341 0.0000 0.0000 51981.8838 -109164.4268 298.7406 -161146.3106 -108794.9926 299.4456 -202.9201 -175.9113 763570.7291 8.8640 9.0681 PRESSURE: 2149000 143.886 182.614 -101.013 182.615 -98.7408 -9.9456 -101.013 -9.94686 189.319 GPRESSURE: 2149000 138.487 201.196 -138.466 169.512 -113.109 22.8847 -80.4675 -26.3999 271.445 PRESSAVG: 2149000 7.82511 -9.59835 -16.5984 -9.59829 28.3859 -42.9826 -16.5984 -42.9826 -2.52159 GPRESSAVG: 2149000 8.45508 -10.9905 -14.453 -9.74011 28.2987 -41.8228 -19.217 -45.0055 -3.01602 TIMING: 2149000 CPU: 6791.86, 0.00313726/step Wall: 6791.86, 0.00313726/step, 2.48453 hours remaining, 235.597656 MB of memory in use. ENERGY: 2149000 3917.5606 20471.6369 14570.3992 250.8542 -203031.0685 2706.8061 0.0000 0.0000 52030.1672 -109083.6444 299.0181 -161113.8116 -108723.7798 299.6777 78.1550 98.9410 762900.1491 11.2298 11.2459 PRESSURE: 2149200 -119.322 -286.9 -32.107 -286.901 -5.16854 -67.7424 -32.1074 -67.7427 34.7726 GPRESSURE: 2149200 19.6366 -228.582 -80.7874 -258.558 -123.36 -99.4965 -58.2386 -210.911 99.2236 PRESSAVG: 2149200 7.50158 -26.9953 -4.104 -26.9953 -20.6631 -11.897 -4.10404 -11.897 22.5885 GPRESSAVG: 2149200 8.30591 -26.2503 -5.42396 -27.4932 -22.567 -11.879 -2.69502 -11.5851 23.7396 TIMING: 2149200 CPU: 6792.49, 0.00313454/step Wall: 6792.49, 0.00313454/step, 2.48221 hours remaining, 235.597656 MB of memory in use. ENERGY: 2149200 4058.3303 20617.0829 14552.6037 242.4445 -203567.8587 2771.3334 0.0000 0.0000 52122.1266 -109203.9371 299.5466 -161326.0638 -108841.9405 300.2046 -29.9061 -1.4999 763460.8701 3.1423 3.1595 PRESSURE: 2149400 -151.666 108.239 -39.4685 108.239 -572.347 -195.474 -39.4683 -195.474 -64.4939 GPRESSURE: 2149400 -90.9204 111.542 -131.375 28.2642 -500.588 -116.918 12.0033 -167.582 -121.827 PRESSAVG: 2149400 2.97584 -63.0454 -4.49721 -63.0454 -1.87911 -10.9274 -4.49721 -10.9275 -5.40274 GPRESSAVG: 2149400 1.14028 -63.4194 -2.18529 -63.1611 1.0123 -11.0731 -4.18317 -8.65859 -5.65666 TIMING: 2149400 CPU: 6793.12, 0.00313336/step Wall: 6793.12, 0.00313336/step, 2.4811 hours remaining, 235.597656 MB of memory in use. ENERGY: 2149400 3978.2960 20622.5091 14554.6190 263.1977 -203513.0896 2617.2302 0.0000 0.0000 52264.0874 -109213.1501 300.3624 -161477.2375 -108846.8943 299.9781 -262.8355 -237.7785 764149.9689 -1.4353 -1.1680 PRESSURE: 2149600 116.877 -105.901 32.9794 -105.901 114.768 -52.0283 32.9792 -52.03 105.489 GPRESSURE: 2149600 238.586 -114.602 49.43 -187.891 63.618 -59.338 38.2398 -45.535 127.369 PRESSAVG: 2149600 57.7453 12.6043 -41.8151 12.6042 -61.5755 -26.0904 -41.8151 -26.0904 18.7914 GPRESSAVG: 2149600 58.5099 14.4361 -43.4453 12.2884 -63.1901 -26.0716 -39.1801 -27.8539 19.4914 TIMING: 2149600 CPU: 6793.74, 0.00312194/step Wall: 6793.74, 0.00312194/step, 2.47188 hours remaining, 235.597656 MB of memory in use. ENERGY: 2149600 3992.9956 20487.7470 14488.9116 256.3837 -203187.6733 2925.9685 0.0000 0.0000 51828.2358 -109207.4310 297.8576 -161035.6668 -108832.0010 299.5144 112.3783 143.1909 763275.5111 4.9871 4.9371 PRESSURE: 2149800 127.064 217.226 20.6379 217.226 -102.539 45.8055 20.6371 45.8053 -584.263 GPRESSURE: 2149800 68.4865 214.759 6.01673 34.2359 24.4571 107.003 12.7276 -68.9648 -577.91 PRESSAVG: 2149800 37.2984 -4.55469 -25.4705 -4.55469 -55.5129 15.7244 -25.4705 15.7244 -9.30507 GPRESSAVG: 2149800 38.0861 -6.25216 -26.326 -5.86726 -55.1356 16.5171 -27.3949 15.5453 -9.96521 TIMING: 2149800 CPU: 6794.37, 0.00313151/step Wall: 6794.37, 0.00313151/step, 2.47928 hours remaining, 235.597656 MB of memory in use. ENERGY: 2149800 3993.8689 20504.5507 14536.0132 259.6348 -203199.0705 2544.5289 0.0000 0.0000 52082.0207 -109278.4533 299.3161 -161360.4740 -108919.0992 299.5538 -186.5796 -161.6556 762351.3172 -9.1732 -9.0049 PRESSURE: 2150000 1.8291 100.153 106.394 100.153 243.174 182.253 106.394 182.253 163.844 GPRESSURE: 2150000 54.9655 141.608 60.4522 123.307 300.423 242.848 98.9443 73.148 153.408 PRESSAVG: 2150000 47.134 -48.6435 2.75664 -48.6434 14.392 -27.6236 2.75662 -27.6237 14.0022 GPRESSAVG: 2150000 46.3809 -48.4258 1.23519 -47.3707 14.2974 -28.6111 2.39937 -26.707 14.4228 TIMING: 2150000 CPU: 6795, 0.00314329/step Wall: 6795, 0.00314329/step, 2.48844 hours remaining, 235.597656 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: 2150000 3938.4873 20365.9893 14582.7729 256.9178 -203332.8251 2817.8105 0.0000 0.0000 52045.8439 -109325.0035 299.1082 -161370.8474 -108958.3990 299.0772 136.2825 169.5990 761669.1552 25.1761 25.0337 PRESSURE: 2150200 -66.9097 -92.4834 -7.64408 -92.4836 -29.8391 -259.171 -7.64407 -259.171 32.1086 GPRESSURE: 2150200 -37.0007 -128.163 -92.6358 -40.1899 -4.05512 -250.559 86.2925 -148.067 60.6922 PRESSAVG: 2150200 26.0447 36.1231 17.5279 36.1231 -45.654 -4.11572 17.5279 -4.11579 -11.5941 GPRESSAVG: 2150200 25.0035 35.0853 19.6124 35.8304 -45.2506 -2.77818 16.8987 -5.29464 -11.8603 TIMING: 2150200 CPU: 6795.62, 0.0031256/step Wall: 6795.62, 0.0031256/step, 2.47426 hours remaining, 235.597656 MB of memory in use. ENERGY: 2150200 3973.6571 20512.3566 14534.0463 248.9557 -203241.7287 2734.1784 0.0000 0.0000 51886.9391 -109351.5955 298.1950 -161238.5346 -108989.2617 299.0228 -21.5467 6.5454 762045.4362 -10.4011 -10.7025 PRESSURE: 2150400 -153.222 6.79381 -29.1155 6.79387 189.949 -248.086 -29.1151 -248.086 -326.553 GPRESSURE: 2150400 -97.4883 56.4902 18.9996 52.0285 276.602 -128.892 68.1497 -312.112 -369.223 PRESSAVG: 2150400 16.2134 -6.58696 15.4384 -6.58703 -53.9659 -23.0223 15.4384 -23.0223 -9.71858 GPRESSAVG: 2150400 17.6554 -6.36271 14.5181 -5.08853 -54.7635 -24.0768 15.999 -21.803 -10.4468 TIMING: 2150400 CPU: 6796.25, 0.00314663/step Wall: 6796.25, 0.00314663/step, 2.49073 hours remaining, 235.597656 MB of memory in use. ENERGY: 2150400 3949.2142 20363.4325 14475.8356 240.6088 -203273.3962 2751.0125 0.0000 0.0000 52170.4316 -109322.8608 299.8242 -161493.2924 -108949.4549 299.1551 -96.6088 -63.3699 762007.0044 -15.8237 -15.8516 PRESSURE: 2150600 586.829 62.209 42.1349 62.2101 187.223 25.1465 42.1357 25.1472 -164.428 GPRESSURE: 2150600 538.261 -7.365 -61.5478 94.3736 223.853 2.2439 30.3005 46.5854 -78.1911 PRESSAVG: 2150600 23.6681 27.4551 -61.1898 27.4551 1.13794 -27.8226 -61.1898 -27.8226 16.9498 GPRESSAVG: 2150600 23.6246 28.4668 -60.0582 25.619 0.896358 -28.0182 -62.8008 -27.866 17.595 TIMING: 2150600 CPU: 6796.88, 0.00313432/step Wall: 6796.88, 0.00313432/step, 2.48081 hours remaining, 235.597656 MB of memory in use. ENERGY: 2150600 3945.9963 20356.4798 14533.1738 242.0582 -203686.9687 2970.5768 0.0000 0.0000 52147.6740 -109491.0099 299.6934 -161638.6839 -109127.1427 299.0256 203.2081 227.9742 761467.2738 13.9186 14.0387 PRESSURE: 2150800 9.68771 -111.023 69.5487 -111.024 -378.407 146.265 69.5489 146.263 -139.286 GPRESSURE: 2150800 29.3937 -88.4647 9.93855 -203.018 -278.106 137.094 75.0875 234.707 -168.875 PRESSAVG: 2150800 -19.8782 -70.3759 1.61758 -70.3759 -19.5282 -5.12391 1.61758 -5.1239 -9.84106 GPRESSAVG: 2150800 -19.7596 -74.1685 2.33151 -69.493 -18.8653 -5.35571 1.86168 -3.68727 -9.8794 TIMING: 2150800 CPU: 6797.51, 0.00313269/step Wall: 6797.51, 0.00313269/step, 2.47935 hours remaining, 235.597656 MB of memory in use. ENERGY: 2150800 3993.4079 20403.1805 14519.0252 246.6190 -203296.8758 2503.8589 0.0000 0.0000 52073.6656 -109557.1186 299.2681 -161630.7842 -109192.8137 298.5955 -169.3352 -139.1958 761961.2153 -16.4158 -16.1681 PRESSURE: 2151000 258.189 105.341 -62.5007 105.341 283.693 -61.0748 -62.501 -61.0743 -32.8669 GPRESSURE: 2151000 329.563 170.308 -57.6356 62.7067 253.25 -109.121 21.5144 -45.439 -3.90727 PRESSAVG: 2151000 8.40342 -74.4186 21.6305 -74.4186 -10.2118 15.9828 21.6305 15.9829 24.0757 GPRESSAVG: 2151000 9.26103 -71.0443 19.158 -74.5365 -10.9995 16.5257 24.8964 14.3844 24.6065 TIMING: 2151000 CPU: 6798.13, 0.00312919/step Wall: 6798.13, 0.00312919/step, 2.47641 hours remaining, 235.597656 MB of memory in use. ENERGY: 2151000 4036.5120 20449.6410 14476.6796 239.6332 -203738.7361 2892.3011 0.0000 0.0000 52087.5950 -109556.3742 299.3481 -161643.9693 -109187.6674 298.6621 169.6718 192.9686 761828.9389 7.4224 7.6227 PRESSURE: 2151200 -418.624 -106.954 -202.55 -106.954 -278.771 10.9965 -202.55 10.9965 -315.939 GPRESSURE: 2151200 -346.262 -115.651 -139.357 -92.9967 -317.613 65.6888 -202.587 -82.2431 -280.995 PRESSAVG: 2151200 4.89223 -34.8622 -40.9031 -34.8621 -7.60003 7.28345 -40.9031 7.28336 -14.5378 GPRESSAVG: 2151200 4.43777 -33.9604 -39.5574 -35.113 -6.37397 7.48113 -41.245 8.10122 -15.512 TIMING: 2151200 CPU: 6798.76, 0.00312855/step Wall: 6798.76, 0.00312855/step, 2.47572 hours remaining, 235.597656 MB of memory in use. ENERGY: 2151200 3934.8483 20553.2511 14506.5309 255.5443 -202574.8784 1836.2124 0.0000 0.0000 52023.0967 -109465.3946 298.9775 -161488.4913 -109102.4834 298.8411 -337.7778 -314.9567 762647.8315 -5.7485 -5.8161 PRESSURE: 2151400 40.9732 5.48685 -333.811 5.48707 -206.85 -290.288 -333.811 -290.287 165.875 GPRESSURE: 2151400 144.738 -90.2659 -341.958 56.5018 -161.152 -224.05 -377.612 -433.922 81.235 PRESSAVG: 2151400 -15.9445 -58.2191 -49.8282 -58.2191 -16.8949 -37.2856 -49.8282 -37.2856 -8.58968 GPRESSAVG: 2151400 -15.6743 -58.488 -48.5719 -57.977 -17.2131 -37.8882 -53.0421 -37.2877 -9.21432 TIMING: 2151400 CPU: 6799.38, 0.00313133/step Wall: 6799.38, 0.00313133/step, 2.47775 hours remaining, 235.597656 MB of memory in use. ENERGY: 2151400 3962.8970 20302.2273 14544.9412 257.3021 -203551.7409 2726.1197 0.0000 0.0000 52267.6395 -109490.6141 300.3828 -161758.2536 -109117.1591 299.1081 -0.0006 21.6071 762929.2571 -13.8097 -14.0339 PRESSURE: 2151600 -185.634 105.667 -195.337 105.667 -147.762 -150.834 -195.337 -150.835 -291.04 GPRESSURE: 2151600 -226.793 125.514 -229.867 -14.9471 4.55857 -93.0304 -131.604 -169.775 -320.395 PRESSAVG: 2151600 11.023 -10.3432 -39.4296 -10.3431 7.80657 -24.7519 -39.4295 -24.7519 -16.2666 GPRESSAVG: 2151600 11.3764 -10.5152 -41.7587 -10.653 7.76121 -25.446 -38.1801 -25.0173 -16.4166 TIMING: 2151600 CPU: 6800.01, 0.00312922/step Wall: 6800.01, 0.00312922/step, 2.47591 hours remaining, 235.597656 MB of memory in use. ENERGY: 2151600 4017.5423 20500.1936 14540.8310 253.5414 -202931.2903 2280.0200 0.0000 0.0000 52056.1117 -109283.0502 299.1672 -161339.1620 -108918.9846 298.9298 -208.1451 -180.8765 763167.4719 0.8543 0.9070 PRESSURE: 2151800 141.973 12.7399 -274.056 12.7407 -403.559 -68.4635 -274.056 -68.4641 -61.0782 GPRESSURE: 2151800 192.806 -4.24977 -234.11 0.0229619 -274.962 -115.384 -234.567 -74.5307 -168.599 PRESSAVG: 2151800 46.8855 -14.0614 -76.8402 -14.0615 14.9837 48.7851 -76.8402 48.7851 1.99307 GPRESSAVG: 2151800 45.9113 -15.2118 -75.8685 -13.7541 16.142 49.3527 -75.7738 50.6565 1.64195 TIMING: 2151800 CPU: 6800.63, 0.00312306/step Wall: 6800.63, 0.00312306/step, 2.47086 hours remaining, 235.597656 MB of memory in use. ENERGY: 2151800 3970.7071 20630.9345 14547.5609 246.8875 -203349.8108 2515.8928 0.0000 0.0000 52143.0545 -109294.7735 299.6669 -161437.8281 -108937.4829 299.4149 -107.5547 -83.5850 761963.1568 21.2874 21.2318 PRESSURE: 2152000 163.022 83.8443 -86.2764 83.8438 -0.712271 -22.2291 -86.2766 -22.228 -83.8767 GPRESSURE: 2152000 102.715 121.564 15.2301 64.2322 41.3698 -104.796 42.5977 37.7931 11.5649 PRESSAVG: 2152000 -9.84916 -30.1975 -16.814 -30.1974 -20.363 -17.8749 -16.814 -17.8749 -11.117 GPRESSAVG: 2152000 -9.4723 -29.0864 -17.0163 -29.4968 -22.1774 -18.8398 -20.2528 -16.4098 -9.2754 TIMING: 2152000 CPU: 6801.26, 0.00313714/step Wall: 6801.26, 0.00313714/step, 2.48182 hours remaining, 235.597656 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: 2152000 3963.9813 20417.6527 14558.8206 251.1256 -203037.5134 2483.9096 0.0000 0.0000 52273.1308 -109088.8927 300.4144 -161362.0235 -108724.7437 299.8578 26.1442 51.8832 763478.9219 -13.7764 -13.6417 PRESSURE: 2152200 276.811 -116.37 22.0343 -116.37 -32.8866 -109.267 22.0346 -109.265 34.4442 GPRESSURE: 2152200 302.301 -90.6439 70.508 -78.895 -78.2524 -93.9238 101.328 -91.754 117.744 PRESSAVG: 2152200 36.5996 -55.9156 -57.0217 -55.9156 -37.1873 -26.184 -57.0217 -26.184 24.343 GPRESSAVG: 2152200 35.2197 -56.1572 -55.1234 -56.2178 -34.8679 -25.0414 -55.264 -28.4579 23.4887 TIMING: 2152200 CPU: 6801.89, 0.00314239/step Wall: 6801.89, 0.00314239/step, 2.4858 hours remaining, 235.597656 MB of memory in use. ENERGY: 2152200 4030.4289 20495.7815 14538.2166 265.2249 -203745.8915 2991.1641 0.0000 0.0000 52314.9281 -109110.1474 300.6546 -161425.0755 -108745.8846 299.6874 92.7896 113.9309 763620.7823 7.9185 7.9468 LDB: ============= START OF LOAD BALANCING ============== 6814.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6814.42 LDB: =============== DONE WITH MIGRATION ================ 6814.42 LDB: ============= START OF LOAD BALANCING ============== 6814.74 LDB: Largest compute 7060 load 0.030936 is 15.8% of average load 0.195400 LDB: Average compute 0.004410 is 2.3% of average load 0.195400 LDB: TIME 6814.74 LOAD: AVG 0.1954 MAX 0.218114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 6814.74 LOAD: AVG 0.1954 MAX 0.218114 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: TIME 6814.74 LOAD: AVG 0.1954 MAX 0.217728 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: ============== END OF LOAD BALANCING =============== 6814.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6814.75 PRESSURE: 2152400 20.1632 124.439 23.6426 124.44 -183.513 133.775 23.6414 133.775 -317.033 GPRESSURE: 2152400 135.402 99.3184 -14.7313 138.453 -201.441 60.5789 1.32715 129.123 -327.699 PRESSAVG: 2152400 26.9705 -42.1189 -66.948 -42.1189 -9.97634 -13.1792 -66.948 -13.1792 2.13796 GPRESSAVG: 2152400 28.4433 -44.18 -69.728 -41.2733 -12.0203 -13.1211 -66.4583 -14.2188 2.93647 TIMING: 2152400 CPU: 6802.53, 0.00320916/step Wall: 6802.53, 0.00320916/step, 2.53845 hours remaining, 236.019531 MB of memory in use. ENERGY: 2152400 3937.2161 20566.4510 14574.3069 249.2350 -203397.4208 2721.0600 0.0000 0.0000 51987.9111 -109361.2406 298.7752 -161349.1518 -109004.1016 299.0706 -160.1274 -131.2460 763980.0363 6.3774 6.4532 PRESSURE: 2152600 524.384 -76.5967 143.978 -76.597 -117.273 -58.6426 143.977 -58.6422 431.483 GPRESSURE: 2152600 504.322 57.8976 66.9712 42.0007 -44.1574 -24.0062 34.1662 -67.3063 449.476 PRESSAVG: 2152600 50.3454 -23.7207 -47.9828 -23.7208 -66.3074 13.9222 -47.9828 13.9222 -2.79542 GPRESSAVG: 2152600 50.4324 -21.4125 -46.8544 -24.171 -65.9549 13.62 -49.532 14.5129 -3.35791 TIMING: 2152600 CPU: 6803.16, 0.00314607/step Wall: 6803.16, 0.00314607/step, 2.48837 hours remaining, 236.222656 MB of memory in use. ENERGY: 2152600 4012.7113 20491.5220 14573.1942 261.1191 -203371.2263 2771.8571 0.0000 0.0000 51807.0337 -109453.7889 297.7357 -161260.8226 -109089.4795 298.7179 279.5313 303.2136 764241.8248 -6.2525 -6.2935 PRESSURE: 2152800 -160.314 156.222 -83.9777 156.221 -234.529 88.5626 -83.9777 88.562 -32.2844 GPRESSURE: 2152800 -94.3723 49.7105 -23.6635 74.889 -234.376 55.3669 18.7679 101.029 -9.35192 PRESSAVG: 2152800 56.6939 -14.3729 -25.9694 -14.3728 -73.6983 9.0196 -25.9693 9.01961 -1.93566 GPRESSAVG: 2152800 54.6352 -14.9248 -26.4993 -14.5617 -73.445 10.1943 -25.9115 7.59678 -0.57287 TIMING: 2152800 CPU: 6803.79, 0.00315774/step Wall: 6803.79, 0.00315774/step, 2.49742 hours remaining, 236.222656 MB of memory in use. ENERGY: 2152800 3978.0597 20394.2007 14540.5462 257.7610 -203273.9348 2561.7984 0.0000 0.0000 52092.9248 -109448.6440 299.3788 -161541.5688 -109080.3198 298.9526 -142.3756 -112.6999 764412.1118 -6.3134 -6.4609 PRESSURE: 2153000 134.691 63.0163 -87.0563 63.016 181.488 -56.0494 -87.0554 -56.049 17.2993 GPRESSURE: 2153000 209.347 73.4865 -150.474 -29.533 222.591 -110.932 -88.768 -4.48134 -16.7702 PRESSAVG: 2153000 66.1489 -48.6866 -2.80496 -48.6866 -49.2481 2.77286 -2.80496 2.77284 -4.30375 GPRESSAVG: 2153000 66.9179 -49.8662 -2.5061 -47.9835 -49.3733 1.74848 -1.09027 4.35307 -4.80745 TIMING: 2153000 CPU: 6804.42, 0.00313399/step Wall: 6804.42, 0.00313399/step, 2.47846 hours remaining, 236.222656 MB of memory in use. ENERGY: 2153000 4010.9059 20508.0792 14492.2433 269.1424 -203179.1527 2737.7215 0.0000 0.0000 51886.9972 -109274.0634 298.1953 -161161.0605 -108915.2410 298.7796 111.1594 138.3894 763689.8247 4.1990 4.2457 PRESSURE: 2153200 -345.394 22.0966 243.207 22.0964 -171.756 -113.905 243.207 -113.904 -87.5709 GPRESSURE: 2153200 -290.201 -68.0147 342.29 142.664 -88.7595 -82.6707 282.739 -123.539 -124.917 PRESSAVG: 2153200 3.12273 -47.1102 -61.9525 -47.1102 7.4901 0.389354 -61.9525 0.389481 -20.3462 GPRESSAVG: 2153200 3.15232 -46.4959 -60.4876 -47.3671 8.28562 0.385619 -61.4799 1.73474 -21.2177 TIMING: 2153200 CPU: 6805.04, 0.00313166/step Wall: 6805.04, 0.00313166/step, 2.47645 hours remaining, 236.222656 MB of memory in use. ENERGY: 2153200 3910.6419 20494.9538 14510.5538 251.2422 -203112.9284 2578.7303 0.0000 0.0000 52251.7930 -109115.0134 300.2918 -161366.8065 -108752.7128 298.7564 -201.5738 -167.9593 764799.9756 -3.2445 -3.2599 PRESSURE: 2153400 -138.938 12.838 -164.035 12.8381 -346.311 67.4245 -164.035 67.4247 -88.885 GPRESSURE: 2153400 -66.1568 114.625 -132.32 65.8821 -299.099 29.2312 -144.521 82.0188 -113.42 PRESSAVG: 2153400 -35.7788 -45.6712 26.6684 -45.6712 -6.27126 5.85181 26.6684 5.85172 -11.8223 GPRESSAVG: 2153400 -34.4382 -44.5224 24.464 -45.0915 -7.54199 6.23762 26.1645 2.99751 -11.5428 TIMING: 2153400 CPU: 6805.68, 0.00316707/step Wall: 6805.68, 0.00316707/step, 2.50428 hours remaining, 236.222656 MB of memory in use. ENERGY: 2153400 4001.4295 20512.8459 14469.7701 254.3685 -202815.6847 2411.1260 0.0000 0.0000 52058.3036 -109107.8411 299.1798 -161166.1447 -108743.9390 298.8993 -191.3779 -159.5584 764985.3255 -17.9575 -17.8410 PRESSURE: 2153600 -459.116 -50.3384 -136.509 -50.3384 -125.437 -33.2065 -136.509 -33.2075 -203.593 GPRESSURE: 2153600 -415.349 -119.493 -242.568 -48.7964 -36.1703 8.00417 -71.5277 8.16474 -252.318 PRESSAVG: 2153600 -6.55237 -63.4098 -13.2845 -63.4097 15.8681 47.2749 -13.2844 47.2748 6.4058 GPRESSAVG: 2153600 -5.84527 -64.6535 -12.0614 -62.391 16.462 48.1136 -14.1292 47.9881 6.17547 TIMING: 2153600 CPU: 6806.31, 0.00315012/step Wall: 6806.31, 0.00315012/step, 2.49069 hours remaining, 236.222656 MB of memory in use. ENERGY: 2153600 4015.7692 20522.0080 14460.8787 236.5093 -202724.3424 2451.3289 0.0000 0.0000 51791.5807 -109246.2677 297.6469 -161037.8484 -108889.0546 298.9206 -262.7154 -234.6126 763093.0246 5.2405 5.5974 PRESSURE: 2153800 -226.461 3.04805 56.0252 3.04858 -146.551 164.451 56.0257 164.451 -301.159 GPRESSURE: 2153800 -258.333 2.2803 83.4333 1.17318 -154.848 127.682 42.8684 175.355 -166.639 PRESSAVG: 2153800 -45.7353 -13.3819 -35.4059 -13.3819 56.6099 61.8979 -35.406 61.8978 0.17444 GPRESSAVG: 2153800 -47.1607 -11.1658 -35.3116 -14.611 56.6993 61.6274 -34.0059 61.2673 1.79745 TIMING: 2153800 CPU: 6806.94, 0.00314653/step Wall: 6806.94, 0.00314653/step, 2.48768 hours remaining, 236.222656 MB of memory in use. ENERGY: 2153800 4013.8593 20415.2345 14500.7951 234.4585 -202726.7484 2382.8033 0.0000 0.0000 51981.9226 -109197.6750 298.7408 -161179.5976 -108843.6290 299.0728 -224.7235 -193.2734 762744.8530 3.6830 3.7787 PRESSURE: 2154000 -87.2199 -132.37 4.26262 -132.37 391.222 -46.5809 4.26199 -46.5815 -39.1517 GPRESSURE: 2154000 -26.4127 -55.3082 -71.8827 -2.54553 352.834 -105.015 -153.053 -39.8514 5.98968 PRESSAVG: 2154000 -17.7535 40.2927 -14.6754 40.2926 8.67793 30.166 -14.6754 30.166 -8.91147 GPRESSAVG: 2154000 -16.3973 40.0899 -15.108 39.4026 8.26538 27.5964 -14.8573 32.7396 -9.46565 TIMING: 2154000 CPU: 6807.57, 0.00314232/step Wall: 6807.57, 0.00314232/step, 2.48418 hours remaining, 236.222656 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: 2154000 3971.7674 20519.9588 14467.5183 235.3781 -203140.4582 2827.4980 0.0000 0.0000 52097.7290 -109020.6087 299.4064 -161118.3376 -108659.9876 298.7092 88.2836 110.8037 762467.1113 -5.9957 -5.8659 PRESSURE: 2154200 -369.872 147.996 -144.997 147.996 -362.168 108.925 -144.998 108.926 -21.1845 GPRESSURE: 2154200 -376.315 189.551 -79.309 188.947 -310.98 127.092 -272.073 37.1336 11.9322 PRESSAVG: 2154200 29.7277 13.5128 35.7153 13.5127 15.7957 26.4827 35.7154 26.4828 3.4852 GPRESSAVG: 2154200 28.1611 15.0894 36.4135 13.1876 17.2343 27.9193 35.1263 23.2293 3.56978 TIMING: 2154200 CPU: 6808.19, 0.003142/step Wall: 6808.19, 0.003142/step, 2.48375 hours remaining, 236.222656 MB of memory in use. ENERGY: 2154200 3974.4960 20562.5313 14497.5759 246.5717 -202992.1055 2597.2041 0.0000 0.0000 52354.2003 -108759.5263 300.8803 -161113.7266 -108401.5824 300.0186 -251.0749 -225.1208 764716.3551 16.3362 16.3217 PRESSURE: 2154400 102.469 83.8129 -188.092 83.8135 81.6904 -26.5187 -188.093 -26.519 -131.494 GPRESSURE: 2154400 196.896 182.008 -153.766 119.794 134.418 -13.9334 -167.208 -27.7436 -176.729 PRESSAVG: 2154400 -6.35583 -18.8712 -38.8683 -18.8712 10.0309 -11.7968 -38.8683 -11.7968 0.469242 GPRESSAVG: 2154400 -5.18348 -20.0588 -37.7698 -17.274 10.0286 -12.2188 -38.8032 -9.88875 -0.0500161 TIMING: 2154400 CPU: 6808.82, 0.00312752/step Wall: 6808.82, 0.00312752/step, 2.47213 hours remaining, 236.222656 MB of memory in use. ENERGY: 2154400 4021.6976 20397.8151 14466.0381 242.9110 -203234.1022 2992.4639 0.0000 0.0000 52304.1792 -108808.9974 300.5928 -161113.1765 -108456.3631 300.5394 17.5550 51.5282 762947.1039 1.3815 1.5984 PRESSURE: 2154600 26.7499 -16.3386 14.6095 -16.3388 217.359 -124.286 14.6088 -124.285 -29.9338 GPRESSURE: 2154600 152.302 -45.6637 8.66617 9.22062 145.235 -126.324 104.877 -173.965 -7.0023 PRESSAVG: 2154600 28.7435 34.0472 -7.21143 34.0472 -37.387 -17.717 -7.21138 -17.717 28.6774 GPRESSAVG: 2154600 29.4844 33.2908 -8.73849 32.0005 -38.3567 -16.0605 -6.86675 -17.6977 28.9403 TIMING: 2154600 CPU: 6809.45, 0.00315897/step Wall: 6809.45, 0.00315897/step, 2.49681 hours remaining, 236.222656 MB of memory in use. ENERGY: 2154600 4034.5127 20511.1525 14552.6504 243.0956 -202770.5534 2457.0906 0.0000 0.0000 52058.0893 -108913.9623 299.1786 -160972.0516 -108555.4841 299.6617 71.3916 96.8448 763001.4871 6.6780 6.6894 PRESSURE: 2154800 -82.1447 74.0091 56.0466 74.0085 -474.947 -137.615 56.0469 -137.614 -75.1374 GPRESSURE: 2154800 -67.3035 129.55 8.93308 95.6873 -383.464 -82.9132 -30.4764 -41.9582 -71.4293 PRESSAVG: 2154800 -34.9495 -56.1943 0.0564941 -56.1942 23.8604 -24.4345 0.0565104 -24.4345 7.07659 GPRESSAVG: 2154800 -35.9613 -55.0232 -1.80317 -54.2915 24.6263 -26.1541 0.324697 -25.8069 7.72964 TIMING: 2154800 CPU: 6810.09, 0.00317524/step Wall: 6810.09, 0.00317524/step, 2.5095 hours remaining, 236.222656 MB of memory in use. ENERGY: 2154800 3952.0595 20626.8209 14516.8940 248.7372 -202697.8416 2338.4610 0.0000 0.0000 52099.7761 -108915.0929 299.4181 -161014.8690 -108551.3772 300.3511 -210.7429 -174.0657 764907.4170 -1.3375 -1.2018 PRESSURE: 2155000 -54.6833 6.83498 105.23 6.83459 135.602 -123.262 105.23 -123.261 261.077 GPRESSURE: 2155000 42.6268 23.941 134.919 -24.6745 98.5861 -166.37 19.4023 -30.0394 285.72 PRESSAVG: 2155000 -23.8818 44.5095 -6.71507 44.5094 -26.6807 -13.9006 -6.71503 -13.9006 42.8886 GPRESSAVG: 2155000 -24.3728 42.1841 -3.95286 45.164 -25.9183 -15.6197 -8.00909 -10.8843 42.487 TIMING: 2155000 CPU: 6810.72, 0.00316469/step Wall: 6810.72, 0.00316469/step, 2.50098 hours remaining, 236.222656 MB of memory in use. ENERGY: 2155000 3943.8699 20407.3207 14548.9442 235.1331 -202979.7083 2703.5610 0.0000 0.0000 51957.3846 -109183.4948 298.5998 -161140.8795 -108833.6856 299.4234 113.9987 142.3110 763309.6279 -2.5580 -2.6014 PRESSURE: 2155200 -27.4272 -28.3081 -383.558 -28.3082 -82.0013 -36.9131 -383.559 -36.914 279.643 GPRESSURE: 2155200 27.756 -119.036 -337.61 76.1107 -54.384 -14.2231 -384.362 -69.0838 297.3 PRESSAVG: 2155200 45.2061 18.2937 60.2698 18.2936 -44.0044 -22.4974 60.2697 -22.4974 -10.8242 GPRESSAVG: 2155200 45.6616 18.0157 59.0187 18.8072 -44.1697 -22.3844 58.7375 -24.2829 -11.5081 TIMING: 2155200 CPU: 6811.35, 0.00314697/step Wall: 6811.35, 0.00314697/step, 2.48681 hours remaining, 236.222656 MB of memory in use. ENERGY: 2155200 4076.6351 20503.5588 14474.1356 246.3580 -203253.1112 2649.0698 0.0000 0.0000 51871.1758 -109432.1780 298.1044 -161303.3538 -109072.7677 298.8577 56.7381 90.2239 762841.0817 -3.2075 -3.3387 PRESSURE: 2155400 -147.04 12.4531 115.367 12.4536 -49.2016 -190.71 115.368 -190.71 139.217 GPRESSURE: 2155400 -107.506 13.2275 133.231 -22.8152 29.0574 -220.523 175.257 -247.294 73.1198 PRESSAVG: 2155400 24.2119 -40.845 -60.0455 -40.845 -41.2356 -52.1516 -60.0454 -52.1516 16.7761 GPRESSAVG: 2155400 24.5027 -38.9354 -59.88 -42.8595 -41.9582 -50.1869 -58.2852 -53.7953 17.1794 TIMING: 2155400 CPU: 6811.98, 0.00314957/step Wall: 6811.98, 0.00314957/step, 2.48868 hours remaining, 236.222656 MB of memory in use. ENERGY: 2155400 4006.2202 20496.7933 14475.9490 252.2545 -203087.9653 2433.5487 0.0000 0.0000 52265.8510 -109157.3486 300.3726 -161423.1996 -108791.3151 299.0845 -19.0081 -1.7764 764230.4357 -0.0825 -0.0920 PRESSURE: 2155600 -264.75 -66.251 -153.006 -66.2498 -146.593 36.3551 -153.005 36.356 -274.688 GPRESSURE: 2155600 -328.984 -16.2535 -97.2223 -27.7848 -83.3349 -53.9355 -208.821 198.523 -214.599 PRESSAVG: 2155600 2.58753 28.3627 -12.2895 28.3627 -7.13456 -18.445 -12.2895 -18.445 -8.98366 GPRESSAVG: 2155600 2.71101 26.4622 -12.7112 28.1686 -7.51321 -18.9407 -13.1166 -16.9427 -9.01437 TIMING: 2155600 CPU: 6812.61, 0.00314326/step Wall: 6812.61, 0.00314326/step, 2.48352 hours remaining, 236.222656 MB of memory in use. ENERGY: 2155600 4024.6677 20643.7005 14465.0372 241.8556 -203302.7717 2605.9419 0.0000 0.0000 52204.1329 -109117.4359 300.0179 -161321.5688 -108754.8396 299.3602 -228.6771 -208.9727 762200.5519 -4.5102 -4.6055 PRESSURE: 2155800 246.749 49.814 -61.7402 49.8151 567.541 68.5932 -61.7408 68.5925 121.874 GPRESSURE: 2155800 387.743 91.6712 -22.8937 -34.5289 494.055 72.9326 38.4017 98.0925 141.986 PRESSAVG: 2155800 1.06404 -6.77492 23.0342 -6.77484 -18.0359 8.59074 23.0342 8.59076 9.92386 GPRESSAVG: 2155800 0.579611 -7.0315 23.8803 -5.10212 -17.7752 8.32261 22.6094 7.96679 10.1461 TIMING: 2155800 CPU: 6813.24, 0.00315752/step Wall: 6813.24, 0.00315752/step, 2.49462 hours remaining, 236.222656 MB of memory in use. ENERGY: 2155800 4009.8982 20577.0458 14509.0575 252.2055 -203500.8939 2792.3397 0.0000 0.0000 52194.9932 -109165.3541 299.9653 -161360.3473 -108796.3241 299.7507 312.0547 341.2611 762199.5206 -2.3493 -2.3498 PRESSURE: 2156000 -1.59492 388.878 51.6899 388.879 6.69505 14.2831 51.6902 14.2833 174.808 GPRESSURE: 2156000 15.3713 285.531 1.03816 264.597 23.3802 -29.0677 60.6854 -25.1648 228.286 PRESSAVG: 2156000 34.5024 23.9518 -21.3438 23.9518 -21.6904 37.199 -21.3438 37.199 -14.8921 GPRESSAVG: 2156000 35.6303 24.8999 -21.6312 21.6177 -21.983 38.7897 -20.0568 36.3309 -15.4804 TIMING: 2156000 CPU: 6813.87, 0.0031394/step Wall: 6813.87, 0.0031394/step, 2.48012 hours remaining, 236.222656 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: 2156000 3937.5380 20604.8121 14461.2879 256.0988 -203522.2316 2926.1536 0.0000 0.0000 52473.5387 -108862.8025 301.5661 -161336.3412 -108490.8267 299.8746 59.9694 89.0125 762927.9359 -0.6934 -0.6110 PRESSURE: 2156200 -11.823 -257.78 59.4379 -257.78 -65.1113 59.4806 59.4379 59.4821 326.437 GPRESSURE: 2156200 117.551 -81.2661 170.768 -139.345 -79.2102 44.4965 -43.3181 -72.6749 300.143 PRESSAVG: 2156200 14.6517 26.3369 -17.1929 26.3369 0.385724 32.6748 -17.1929 32.6748 -9.18552 GPRESSAVG: 2156200 14.6257 26.0335 -17.5388 26.7876 0.882187 30.5335 -14.5286 34.3306 -9.37439 TIMING: 2156200 CPU: 6814.49, 0.00313623/step Wall: 6814.49, 0.00313623/step, 2.47745 hours remaining, 236.222656 MB of memory in use. ENERGY: 2156200 4061.7562 20576.4821 14500.5237 237.7971 -203377.7002 2930.9204 0.0000 0.0000 52397.0049 -108673.2159 301.1263 -161070.2208 -108311.0571 300.2761 83.1675 112.8280 763460.7904 1.9506 2.0445 LDB: ============= START OF LOAD BALANCING ============== 6827.03 LDB: ============== END OF LOAD BALANCING =============== 6827.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6827.03 LDB: ============= START OF LOAD BALANCING ============== 6827.34 LDB: Largest compute 7031 load 0.030057 is 15.4% of average load 0.195469 LDB: Average compute 0.004419 is 2.3% of average load 0.195469 LDB: TIME 6827.35 LOAD: AVG 0.195469 MAX 0.214857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.227 MB LDB: TIME 6827.35 LOAD: AVG 0.195469 MAX 0.214857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.23 MB LDB: TIME 6827.35 LOAD: AVG 0.195469 MAX 0.214857 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.23 MB LDB: ============== END OF LOAD BALANCING =============== 6827.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6827.35 Info: useSync: 0 useProxySync: 0 PRESSURE: 2156400 40.6633 -321.053 -46.4813 -321.053 -29.0856 171.126 -46.4817 171.126 44.2428 GPRESSURE: 2156400 149.048 -320.754 -64.1611 -166.35 -10.8775 153.284 -19.0653 82.3437 8.0298 PRESSAVG: 2156400 42.0422 22.4709 -9.46647 22.4709 -8.81778 57.5251 -9.46645 57.5252 -6.13795 GPRESSAVG: 2156400 42.5227 24.057 -9.69287 23.3507 -10.2157 59.1652 -11.3304 54.8659 -5.37778 TIMING: 2156400 CPU: 6815.14, 0.00320907/step Wall: 6815.14, 0.00320907/step, 2.53481 hours remaining, 234.882812 MB of memory in use. ENERGY: 2156400 4052.9353 20550.4364 14573.0670 237.1687 -203140.9952 2764.6733 0.0000 0.0000 52260.3506 -108702.3640 300.3410 -160962.7145 -108335.4521 300.8458 18.6068 48.7336 763380.0850 9.0288 8.9764 PRESSURE: 2156600 74.3058 86.1788 -50.5281 86.1798 380.764 -2.28141 -50.5292 -2.28324 -238.772 GPRESSURE: 2156600 96.5806 -48.9814 99.1716 -5.20734 375.788 -7.37645 -19.6654 97.6438 -177.458 PRESSAVG: 2156600 -20.1294 19.0561 -37.2567 19.0561 30.3253 40.4723 -37.2567 40.4723 2.24689 GPRESSAVG: 2156600 -21.264 17.5415 -36.2695 19.2763 31.5334 41.6877 -36.8283 43.8062 2.29736 TIMING: 2156600 CPU: 6815.76, 0.00313719/step Wall: 6815.76, 0.00313719/step, 2.47786 hours remaining, 234.882812 MB of memory in use. ENERGY: 2156600 3960.3823 20471.0916 14549.9812 256.4151 -203320.4787 2844.6381 0.0000 0.0000 52233.6207 -109004.3497 300.1873 -161237.9704 -108647.4814 300.3124 72.0994 98.3036 761322.8488 4.1476 4.1889 PRESSURE: 2156800 3.57213 20.8478 91.7091 20.8487 93.7649 261.033 91.7086 261.033 249.788 GPRESSURE: 2156800 85.9122 -2.03214 113.741 -45.9812 95.0048 293.188 -67.5494 198.91 250.758 PRESSAVG: 2156800 23.1472 -25.1798 25.7092 -25.1798 -30.268 58.1723 25.7093 58.1723 30.4501 GPRESSAVG: 2156800 23.5327 -23.792 25.3332 -25.5702 -29.3918 55.0445 22.3468 57.6685 30.0633 TIMING: 2156800 CPU: 6816.39, 0.00314467/step Wall: 6816.39, 0.00314467/step, 2.48359 hours remaining, 235.085938 MB of memory in use. ENERGY: 2156800 3971.5615 20508.7109 14498.1041 224.7459 -203603.9043 3102.5166 0.0000 0.0000 51889.3912 -109408.8741 298.2090 -161298.2652 -109048.2316 299.5594 115.7084 143.8917 761765.0461 7.7764 8.0681 PRESSURE: 2157000 -72.2322 67.7818 26.7601 67.7815 -237.71 -154.194 26.7598 -154.195 -120.371 GPRESSURE: 2157000 -73.0068 82.2268 -39.2352 175.54 -124.688 -191.969 60.6405 -93.6019 -147.059 PRESSAVG: 2157000 -19.4815 -12.8138 22.8629 -12.8138 -21.0837 8.65798 22.863 8.65792 -6.95818 GPRESSAVG: 2157000 -18.9265 -13.9058 23.08 -12.4914 -21.582 10.1133 23.7777 8.12539 -6.9424 TIMING: 2157000 CPU: 6817.02, 0.00314089/step Wall: 6817.02, 0.00314089/step, 2.48043 hours remaining, 235.085938 MB of memory in use. ENERGY: 2157000 3944.3506 20373.8266 14508.0709 255.9529 -203393.8600 2699.4141 0.0000 0.0000 52246.7585 -109365.4865 300.2628 -161612.2450 -108997.4280 299.3714 -143.4378 -114.9179 761727.3379 -15.8411 -15.8170 PRESSURE: 2157200 -102.033 -184.943 77.43 -184.944 -80.3455 -154.452 77.4294 -154.452 174.303 GPRESSURE: 2157200 -158.855 -126.848 -34.3358 -158.513 126.141 -145.124 119.854 -64.4139 123.604 PRESSAVG: 2157200 -33.0651 -60.1374 4.50226 -60.1374 1.24817 -28.7552 4.50224 -28.7551 5.88786 GPRESSAVG: 2157200 -33.1071 -58.5034 4.31027 -59.398 1.96671 -29.0475 6.02648 -26.9381 5.17168 TIMING: 2157200 CPU: 6817.65, 0.00314192/step Wall: 6817.65, 0.00314193/step, 2.48107 hours remaining, 235.085938 MB of memory in use. ENERGY: 2157200 4007.5510 20413.3313 14475.3015 242.8771 -202853.6727 2222.3654 0.0000 0.0000 52042.1230 -109450.1234 299.0868 -161492.2465 -109077.1469 298.8838 -2.6918 30.2965 761846.7132 -8.6430 -8.6562 PRESSURE: 2157400 -92.9955 -40.9767 248.594 -40.9757 267.282 -48.7085 248.596 -48.7077 24.206 GPRESSURE: 2157400 -18.0816 -110.561 312.327 -133.41 361.962 -112.225 241.244 19.3274 -71.0894 PRESSAVG: 2157400 11.2521 5.17267 36.0955 5.17272 0.426578 -56.5202 36.0955 -56.5201 14.5708 GPRESSAVG: 2157400 10.4443 4.52501 34.1033 4.34856 -0.0397053 -54.898 36.3141 -59.6697 15.3282 TIMING: 2157400 CPU: 6818.28, 0.0031355/step Wall: 6818.28, 0.0031355/step, 2.47583 hours remaining, 235.289062 MB of memory in use. ENERGY: 2157400 3960.8434 20532.7782 14533.3472 243.3306 -203551.8583 2636.6751 0.0000 0.0000 52305.6341 -109339.2498 300.6012 -161644.8839 -108972.9955 298.8682 66.1642 90.9304 761268.2346 8.7498 8.5776 PRESSURE: 2157600 239.222 -6.28313 -158.282 -6.28208 277.537 202.394 -158.282 202.393 -67.5932 GPRESSURE: 2157600 306.757 -36.9862 -179.46 10.6892 320.886 141.371 -81.534 289.891 -85.0422 PRESSAVG: 2157600 -17.1713 -24.4079 35.9429 -24.4078 -7.59813 -4.49191 35.943 -4.49191 17.4947 GPRESSAVG: 2157600 -16.8623 -24.0944 37.4754 -23.5849 -7.42113 -4.72288 35.4016 -2.51551 17.3884 TIMING: 2157600 CPU: 6818.9, 0.00313951/step Wall: 6818.9, 0.00313951/step, 2.47882 hours remaining, 235.289062 MB of memory in use. ENERGY: 2157600 3984.1128 20604.0501 14486.2137 238.9701 -203246.9101 2672.9751 0.0000 0.0000 52127.3926 -109133.1956 299.5768 -161260.5882 -108777.8319 299.3578 149.7218 180.8672 762242.3668 -2.4249 -2.2983 PRESSURE: 2157800 63.5408 -89.2622 119.272 -89.2636 -195.836 192.194 119.272 192.194 -103.412 GPRESSURE: 2157800 50.7443 -50.7411 126.394 -149.685 -110.714 139.688 -32.3502 82.6107 -82.1106 PRESSAVG: 2157800 3.00537 -5.0536 32.6827 -5.05357 -46.7334 -0.642281 32.6827 -0.64228 17.6377 GPRESSAVG: 2157800 3.23766 -3.71008 32.7682 -4.29957 -47.5545 -0.706195 31.3107 -2.69177 18.69 TIMING: 2157800 CPU: 6819.53, 0.00314087/step Wall: 6819.53, 0.00314087/step, 2.47972 hours remaining, 235.289062 MB of memory in use. ENERGY: 2157800 3938.2084 20713.3328 14541.6442 246.1514 -203100.8155 2638.1013 0.0000 0.0000 52012.6899 -109010.6875 298.9176 -161023.3775 -108653.4337 299.4212 -78.5690 -47.3601 762454.2960 -8.6968 -8.5423 PRESSURE: 2158000 -18.9481 169.116 -184.974 169.117 -398.327 -299.851 -184.974 -299.851 -192.643 GPRESSURE: 2158000 -63.8243 101.45 -115.285 166.738 -218.789 -177.329 -101.054 -357.224 -229.843 PRESSAVG: 2158000 -6.25165 -54.4855 62.0909 -54.4856 52.8872 5.68043 62.0909 5.68044 4.02117 GPRESSAVG: 2158000 -6.42531 -54.0406 62.5683 -56.3835 54.7679 3.91794 62.8309 7.57167 2.74268 TIMING: 2158000 CPU: 6820.16, 0.00315105/step Wall: 6820.16, 0.00315105/step, 2.48758 hours remaining, 235.289062 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: 2158000 3996.5357 20555.7934 14519.4275 244.5917 -203378.1279 2725.3010 0.0000 0.0000 52236.1303 -109100.3484 300.2018 -161336.4787 -108739.9254 300.0317 -203.3062 -170.8185 763058.6954 16.8856 17.0284 PRESSURE: 2158200 -383.235 99.9288 14.1391 99.9282 -164.011 -63.6371 14.1393 -63.6358 -268.685 GPRESSURE: 2158200 -303.552 -58.9908 130.241 22.4229 -140.459 -78.4514 37.3332 -63.8251 -287.492 PRESSAVG: 2158200 55.3823 -13.7015 5.35419 -13.7016 -8.46496 16.5891 5.35418 16.589 -10.7301 GPRESSAVG: 2158200 56.2208 -15.4981 5.34265 -12.9897 -10.3238 18.7432 7.52148 15.6144 -9.40188 TIMING: 2158200 CPU: 6820.79, 0.00313058/step Wall: 6820.79, 0.00313058/step, 2.47125 hours remaining, 235.289062 MB of memory in use. ENERGY: 2158200 4051.7327 20425.4320 14559.9450 276.0694 -203003.7585 2629.6278 0.0000 0.0000 51914.2054 -109146.7461 298.3517 -161060.9515 -108795.0031 299.4313 -271.9770 -243.8346 765551.6009 12.0624 12.1650 PRESSURE: 2158400 135.66 199.675 -137.018 199.676 -273.053 63.0437 -137.018 63.044 -174.663 GPRESSURE: 2158400 138.817 102.603 -182.163 120.597 -210.582 153.6 -147.564 60.3648 -168.23 PRESSAVG: 2158400 -31.0634 -76.9153 -14.5946 -76.9154 11.9688 82.4353 -14.5945 82.4353 -8.50894 GPRESSAVG: 2158400 -30.1027 -79.0041 -14.0758 -76.2971 12.8572 82.7874 -17.0851 81.4851 -9.57519 TIMING: 2158400 CPU: 6821.42, 0.00314272/step Wall: 6821.42, 0.00314272/step, 2.48066 hours remaining, 235.289062 MB of memory in use. ENERGY: 2158400 4005.4387 20508.4273 14579.4452 240.8686 -202990.5676 2620.1643 0.0000 0.0000 51952.4155 -109083.8080 298.5712 -161036.2235 -108733.0851 298.9510 -104.0187 -79.9983 764892.8066 -9.2012 -8.9402 PRESSURE: 2158600 112.075 -38.2582 -155.106 -38.2587 73.3921 -226.914 -155.107 -226.913 95.527 GPRESSURE: 2158600 160.294 -89.3033 -156.892 -35.1276 97.4657 -196.429 -184.318 -175.275 105.916 PRESSAVG: 2158600 -82.4446 -28.5346 -4.41035 -28.5346 59.5245 6.85765 -4.41032 6.85768 -2.29637 GPRESSAVG: 2158600 -83.5472 -26.9261 -5.91374 -28.8151 59.844 5.00202 -2.15095 6.61348 -1.0367 TIMING: 2158600 CPU: 6822.05, 0.00314386/step Wall: 6822.05, 0.00314386/step, 2.48138 hours remaining, 235.289062 MB of memory in use. ENERGY: 2158600 3994.7612 20513.2030 14591.4023 261.9969 -203178.7709 2599.5733 0.0000 0.0000 52187.2056 -109030.6286 299.9206 -161217.8342 -108665.1759 299.1403 93.6645 121.2253 764715.7203 -8.4055 -8.2466 PRESSURE: 2158800 -25.4277 -169.854 -14.2667 -169.854 -20.7681 -66.0879 -14.2668 -66.0878 -173.277 GPRESSURE: 2158800 -61.0077 -167.96 74.9912 -113.256 52.0557 -87.9078 -101.738 -68.3689 -130.628 PRESSAVG: 2158800 18.5725 -12.6093 15.2322 -12.6093 11.2924 20.3856 15.2322 20.3856 -10.1334 GPRESSAVG: 2158800 18.3139 -11.5859 16.9503 -12.9654 11.3555 20.7396 14.8807 20.1221 -9.99567 TIMING: 2158800 CPU: 6822.68, 0.00314613/step Wall: 6822.68, 0.00314613/step, 2.483 hours remaining, 235.289062 MB of memory in use. ENERGY: 2158800 3959.0298 20734.9862 14498.0326 259.6974 -203230.4679 2768.4430 0.0000 0.0000 52040.4696 -108969.8093 299.0773 -161010.2790 -108613.4910 299.7728 -73.1576 -46.5268 764793.7889 6.5772 6.5579 PRESSURE: 2159000 47.1563 52.479 -16.6353 52.4778 219.956 208.15 -16.6348 208.149 -318.429 GPRESSURE: 2159000 160.188 -1.80917 -102.612 -55.6166 140.696 197.556 -77.2261 98.659 -274.151 PRESSAVG: 2159000 7.96375 -23.8962 11.7577 -23.8962 14.0266 25.069 11.7577 25.069 -14.3891 GPRESSAVG: 2159000 7.82029 -25.9487 10.9921 -22.9782 13.9385 26.5981 10.1329 26.7523 -14.1501 TIMING: 2159000 CPU: 6823.3, 0.0031322/step Wall: 6823.3, 0.0031322/step, 2.47183 hours remaining, 235.289062 MB of memory in use. ENERGY: 2159000 4073.0691 20459.5101 14585.8687 242.6244 -203547.6769 2761.6284 0.0000 0.0000 52365.3094 -109059.6668 300.9442 -161424.9762 -108694.7806 299.5316 -17.1054 8.9110 763707.0008 2.5337 2.5362 PRESSURE: 2159200 21.3688 -93.4128 15.2611 -93.4126 -247.051 51.0211 15.2607 51.0218 148.463 GPRESSURE: 2159200 122.871 -142.836 29.9192 -27.2996 -206.059 124.503 -10.6221 48.3753 83.8993 PRESSAVG: 2159200 -66.8707 -27.3632 -21.0474 -27.3632 32.0956 44.4151 -21.0475 44.4151 18.9095 GPRESSAVG: 2159200 -66.2215 -26.1696 -21.7333 -26.8146 30.7801 43.2933 -18.6038 42.6623 19.5356 TIMING: 2159200 CPU: 6823.93, 0.0031537/step Wall: 6823.93, 0.0031537/step, 2.48862 hours remaining, 235.289062 MB of memory in use. ENERGY: 2159200 3990.7970 20428.8518 14542.3327 237.2576 -203453.2320 2668.9424 0.0000 0.0000 52370.0429 -109215.0075 300.9714 -161585.0504 -108849.7648 299.2257 -25.7395 0.2372 763671.9361 -5.2886 -5.3020 PRESSURE: 2159400 -172.157 -24.9667 -209.61 -24.966 259.581 -84.7643 -209.609 -84.7643 465.86 GPRESSURE: 2159400 -110.986 -38.4309 -210.898 -41.8403 342.605 -83.2241 -181.885 -29.8854 406.838 PRESSAVG: 2159400 8.41873 -44.8821 -29.6478 -44.882 10.6748 1.26187 -29.6478 1.26187 -15.235 GPRESSAVG: 2159400 8.2175 -44.6317 -29.0796 -46.2204 12.5286 2.38692 -29.8403 1.71566 -16.6255 TIMING: 2159400 CPU: 6824.56, 0.00315361/step Wall: 6824.56, 0.00315361/step, 2.48837 hours remaining, 235.289062 MB of memory in use. ENERGY: 2159400 4047.0244 20589.1344 14551.4824 236.1746 -203090.3801 2453.9888 0.0000 0.0000 52196.4280 -109016.1475 299.9736 -161212.5755 -108658.7218 299.1580 184.4279 212.8191 762846.1496 1.2862 1.3735 PRESSURE: 2159600 -91.4708 83.6125 -21.7866 83.6124 -213.147 159.855 -21.7864 159.854 12.9274 GPRESSURE: 2159600 -84.616 51.8235 58.9546 -89.2593 -215.314 275.726 -51.8438 17.5118 96.777 PRESSAVG: 2159600 -18.6856 -14.5375 -92.8378 -14.5376 43.1265 -14.0548 -92.8378 -14.0548 -17.3357 GPRESSAVG: 2159600 -18.719 -15.3529 -92.0685 -15.2618 43.1528 -13.216 -93.791 -15.079 -17.3594 TIMING: 2159600 CPU: 6825.2, 0.00316475/step Wall: 6825.2, 0.00316475/step, 2.49699 hours remaining, 235.289062 MB of memory in use. ENERGY: 2159600 4007.6627 20508.9637 14481.6921 243.8438 -203047.9127 2680.4346 0.0000 0.0000 52224.6386 -108900.6772 300.1357 -161125.3158 -108533.1075 300.2220 -97.2301 -67.7177 763751.2372 2.3684 2.3582 PRESSURE: 2159800 36.0632 204.122 148.049 204.122 307.745 -54.285 148.049 -54.2846 237.214 GPRESSURE: 2159800 70.5516 181.907 188.356 245.637 309.255 -25.8832 213.523 -16.901 278.067 PRESSAVG: 2159800 -21.437 -50.3902 42.5829 -50.3902 27.1215 33.2232 42.5829 33.2233 4.02513 GPRESSAVG: 2159800 -22.0612 -51.4327 42.5757 -49.9226 26.043 30.5229 42.9925 36.1404 4.89828 TIMING: 2159800 CPU: 6825.83, 0.00314999/step Wall: 6825.83, 0.00314999/step, 2.48517 hours remaining, 235.289062 MB of memory in use. ENERGY: 2159800 3895.1131 20501.4355 14558.9963 257.2221 -203016.7809 2549.3749 0.0000 0.0000 52062.1588 -109192.4801 299.2019 -161254.6389 -108833.7652 299.6020 193.6742 219.2914 763427.5810 3.2365 2.9600 PRESSURE: 2160000 151.392 117.144 248.29 117.145 496.398 -28.9643 248.289 -28.9656 -258.373 GPRESSURE: 2160000 229.105 81.7107 224.966 167.104 486.817 -13.8161 210.723 22.2316 -244.446 PRESSAVG: 2160000 -114.044 -72.2597 -2.0549 -72.2598 98.4175 -27.9662 -2.05485 -27.9662 1.49376 GPRESSAVG: 2160000 -114.061 -70.7188 -1.78424 -72.1324 99.2816 -26.4852 -3.74084 -30.7746 1.38407 TIMING: 2160000 CPU: 6826.46, 0.00315427/step Wall: 6826.46, 0.00315427/step, 2.48837 hours remaining, 235.289062 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: 2160000 3891.2421 20500.1094 14590.5992 239.0496 -203428.5802 2977.8877 0.0000 0.0000 52061.0184 -109168.6738 299.1954 -161229.6922 -108805.7436 298.6863 129.8059 157.1587 763858.1531 -4.7110 -4.4652 PRESSURE: 2160200 -73.5971 -138.893 -284.365 -138.894 -175.104 37.2387 -284.365 37.2385 -41.4255 GPRESSURE: 2160200 -86.321 -110.876 -247.705 -54.3452 -143.455 12.5939 -188.53 18.8502 9.08287 PRESSAVG: 2160200 -66.432 -16.0601 -31.567 -16.0601 56.0087 -34.3133 -31.5669 -34.3133 -17.1603 GPRESSAVG: 2160200 -66.2977 -16.9162 -31.0834 -14.4946 55.0286 -34.0042 -32.5791 -33.2331 -16.8027 TIMING: 2160200 CPU: 6827.09, 0.00315586/step Wall: 6827.09, 0.00315586/step, 2.48945 hours remaining, 235.289062 MB of memory in use. ENERGY: 2160200 3936.0615 20464.4528 14553.8038 248.1603 -202814.9517 2492.0030 0.0000 0.0000 52147.4593 -108973.0111 299.6922 -161120.4705 -108617.8987 299.4367 -96.7087 -73.5644 762705.1644 -9.1945 -9.3573 LDB: ============= START OF LOAD BALANCING ============== 6839.62 LDB: ============== END OF LOAD BALANCING =============== 6839.62 LDB: =============== DONE WITH MIGRATION ================ 6839.62 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6839.94 LDB: Largest compute 7031 load 0.029554 is 15.1% of average load 0.195476 LDB: Average compute 0.004394 is 2.2% of average load 0.195476 LDB: TIME 6839.94 LOAD: AVG 0.195476 MAX 0.213458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 6839.94 LOAD: AVG 0.195476 MAX 0.213458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 6839.94 LOAD: AVG 0.195476 MAX 0.213458 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 6839.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6839.95 PRESSURE: 2160400 -329.103 -58.5129 26.6151 -58.5124 70.5108 -158.55 26.6149 -158.55 -399.534 GPRESSURE: 2160400 -215.172 141.108 -36.9905 -94.5395 67.2284 -147.423 41.669 40.1741 -433.998 PRESSAVG: 2160400 -52.0658 -76.2534 -23.8157 -76.2534 75.4756 -24.8312 -23.8156 -24.8312 -2.72532 GPRESSAVG: 2160400 -52.4767 -75.1353 -24.77 -76.2813 75.743 -25.1369 -20.0096 -24.8002 -2.20265 TIMING: 2160400 CPU: 6827.73, 0.00322276/step Wall: 6827.73, 0.00322276/step, 2.54204 hours remaining, 234.882812 MB of memory in use. ENERGY: 2160400 4015.9032 20650.6363 14502.2942 283.0277 -202648.4707 2290.3300 0.0000 0.0000 51948.3619 -108957.9175 298.5479 -160906.2794 -108595.7654 299.6187 -219.3753 -193.9808 764301.8622 6.8948 7.0212 PRESSURE: 2160600 33.2434 -22.6781 84.0724 -22.6773 51.1326 158.429 84.0719 158.43 238.441 GPRESSURE: 2160600 61.3736 -74.4789 10.4535 -25.2253 133.556 190.109 158.92 88.3376 209.097 PRESSAVG: 2160600 -47.5556 -17.5946 15.2765 -17.5946 27.4859 -38.3136 15.2765 -38.3136 28.5388 GPRESSAVG: 2160600 -47.114 -17.71 15.8595 -18.9211 29.8968 -40.5057 11.9363 -37.8051 25.9534 TIMING: 2160600 CPU: 6828.36, 0.00315759/step Wall: 6828.36, 0.00315759/step, 2.49046 hours remaining, 235.210938 MB of memory in use. ENERGY: 2160600 4031.3388 20366.3381 14549.1963 259.5273 -203492.0916 2905.9719 0.0000 0.0000 52363.0201 -109016.6992 300.9310 -161379.7193 -108648.0793 299.6047 107.6056 134.6753 762673.1477 2.8230 2.9121 PRESSURE: 2160800 -97.251 -116.953 75.1594 -116.953 -353.437 -86.7264 75.1591 -86.7266 427.938 GPRESSURE: 2160800 -51.58 -135.409 128.556 -44.5383 -261.932 -91.4943 100.678 -43.5117 369.353 PRESSAVG: 2160800 15.0726 -53.5366 -31.1728 -53.5366 -45.9481 -71.0454 -31.1728 -71.0453 4.95211 GPRESSAVG: 2160800 14.4906 -54.265 -31.548 -51.5661 -46.7985 -69.4631 -29.1513 -71.0418 6.35747 TIMING: 2160800 CPU: 6828.99, 0.00314775/step Wall: 6828.99, 0.00314775/step, 2.48252 hours remaining, 235.210938 MB of memory in use. ENERGY: 2160800 4010.8925 20556.5279 14584.1068 254.0407 -202916.3940 2496.2616 0.0000 0.0000 52044.2860 -108970.2786 299.0992 -161014.5646 -108618.7933 299.8644 -7.5832 18.6136 764153.9817 -8.6411 -8.6501 PRESSURE: 2161000 -384.872 80.9083 -214.413 80.908 -256.419 -279.607 -214.414 -279.606 223.048 GPRESSURE: 2161000 -374.056 81.8859 -230.213 -8.11686 -201.915 -216.24 -189.709 -381.481 253.386 PRESSAVG: 2161000 -9.36032 17.5805 44.2762 17.5805 -10.716 9.44686 44.2761 9.44676 13.5307 GPRESSAVG: 2161000 -9.06457 16.8895 44.4585 16.3252 -10.8729 9.41836 43.073 7.93612 13.5709 TIMING: 2161000 CPU: 6829.62, 0.00315117/step Wall: 6829.62, 0.00315117/step, 2.48505 hours remaining, 235.210938 MB of memory in use. ENERGY: 2161000 4039.8585 20439.1544 14553.8107 232.3294 -203293.0313 2803.6772 0.0000 0.0000 52162.2406 -109061.9605 299.7771 -161224.2012 -108696.7131 299.8557 -139.4141 -107.5285 765342.5394 -2.1819 -2.1222 PRESSURE: 2161200 22.5227 -63.1751 118.836 -63.174 231.054 -30.3031 118.836 -30.3036 -156.326 GPRESSURE: 2161200 36.2141 -149.998 46.8936 36.638 176.467 60.5991 191 -51.1938 -39.1577 PRESSAVG: 2161200 -38.1286 10.8946 -9.72733 10.8946 63.3894 -41.845 -9.72732 -41.8451 4.47359 GPRESSAVG: 2161200 -37.7618 11.4301 -9.83217 11.9874 64.0325 -40.5738 -10.1015 -41.1738 3.7823 TIMING: 2161200 CPU: 6830.25, 0.00314679/step Wall: 6830.25, 0.00314679/step, 2.48142 hours remaining, 235.210938 MB of memory in use. ENERGY: 2161200 4063.4121 20478.4424 14482.7232 256.2064 -203569.9847 2867.8107 0.0000 0.0000 52244.4194 -109176.9706 300.2494 -161421.3900 -108813.0387 298.8281 32.4170 57.8412 763104.5179 9.9115 10.0176 PRESSURE: 2161400 107.678 -270.917 -197.428 -270.918 110.646 92.5359 -197.428 92.5352 331.728 GPRESSURE: 2161400 192.5 -139.418 -188.427 -242.37 148.163 -28.4687 -79.07 39.3427 294.054 PRESSAVG: 2161400 -38.6116 -40.1306 37.6535 -40.1306 55.2454 -6.27818 37.6535 -6.27815 6.66071 GPRESSAVG: 2161400 -39.3781 -39.7469 36.3245 -40.3068 56.0098 -7.11378 41.9208 -5.95261 6.95002 TIMING: 2161400 CPU: 6830.88, 0.00314663/step Wall: 6830.88, 0.00314663/step, 2.48112 hours remaining, 235.210938 MB of memory in use. ENERGY: 2161400 3955.9637 20305.5510 14560.3141 258.5993 -203728.9157 3149.1056 0.0000 0.0000 52146.8272 -109352.5549 299.6885 -161499.3821 -108988.4179 299.1186 183.3507 211.5721 763839.0471 7.7648 7.8606 PRESSURE: 2161600 265.457 168.322 -66.9799 168.321 33.8682 119.248 -66.98 119.247 -82.9042 GPRESSURE: 2161600 258.884 207.894 -2.79882 147.767 97.3882 61.6228 -77.4844 84.8888 -41.8598 PRESSAVG: 2161600 -23.2067 -49.4101 -40.7477 -49.4101 28.5437 -6.99388 -40.7477 -6.99382 -1.69322 GPRESSAVG: 2161600 -24.4851 -49.1766 -38.4378 -53.3612 28.1219 -6.07302 -44.7749 -5.04118 0.0459842 TIMING: 2161600 CPU: 6831.51, 0.00314908/step Wall: 6831.51, 0.00314908/step, 2.48287 hours remaining, 235.210938 MB of memory in use. ENERGY: 2161600 4005.6202 20428.0979 14573.4852 240.1956 -203176.7341 2667.0501 0.0000 0.0000 52095.5796 -109166.7055 299.3940 -161262.2851 -108807.6280 298.9560 72.1403 104.8041 762034.6195 1.2146 1.2276 PRESSURE: 2161800 192.697 -72.0545 67.3201 -72.0535 -1.668 -91.9591 67.3199 -91.959 70.7332 GPRESSURE: 2161800 244.438 -191.851 10.3818 -98.1671 54.932 7.37617 70.0098 -59.7609 19.5325 PRESSAVG: 2161800 -19.5013 -37.067 -24.6336 -37.067 4.12458 -6.78015 -24.6336 -6.78027 5.42893 GPRESSAVG: 2161800 -17.5728 -38.1607 -25.5858 -34.9602 4.14503 -7.69085 -23.9647 -7.24487 3.18015 TIMING: 2161800 CPU: 6832.15, 0.00316725/step Wall: 6832.15, 0.00316725/step, 2.49703 hours remaining, 235.210938 MB of memory in use. ENERGY: 2161800 4002.2999 20382.5820 14592.3692 261.6601 -203232.7196 2781.8696 0.0000 0.0000 51858.2186 -109353.7202 298.0299 -161211.9388 -108988.4062 298.5001 87.2541 106.3008 763317.8754 -3.3159 -3.4159 PRESSURE: 2162000 52.0595 -142.354 -171.297 -142.354 -24.8692 -60.756 -171.298 -60.7556 -344.599 GPRESSURE: 2162000 181.831 -116.306 -218.076 -100.09 -73.7187 -39.8376 -73.598 -53.5279 -332.093 PRESSAVG: 2162000 12.2123 25.3685 20.9837 25.3685 -32.693 23.2118 20.9837 23.2118 12.9813 GPRESSAVG: 2162000 12.1551 26.8539 20.8437 25.5545 -33.4124 24.6541 19.9368 21.4572 13.6974 TIMING: 2162000 CPU: 6832.77, 0.00313592/step Wall: 6832.77, 0.00313592/step, 2.47215 hours remaining, 235.210938 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: 2162000 4085.1852 20515.5813 14491.3834 240.4797 -203143.9569 2554.1648 0.0000 0.0000 51892.6807 -109364.4819 298.2279 -161257.1626 -109006.4293 298.8873 -105.8030 -74.6600 763386.8647 -2.4998 -2.5200 PRESSURE: 2162200 -144.585 88.1612 -98.6812 88.1607 -326.833 -154.2 -98.6809 -154.199 -117.529 GPRESSURE: 2162200 -21.4647 16.3245 -148.244 143.802 -337.249 -186.848 -84.5648 -90.0501 -130.571 PRESSAVG: 2162200 43.2791 -33.9462 -5.96487 -33.9463 -44.3856 -37.2388 -5.96488 -37.2387 -9.58349 GPRESSAVG: 2162200 42.8473 -33.8519 -6.54785 -35.837 -42.7081 -38.6792 -5.5047 -36.0798 -10.2887 TIMING: 2162200 CPU: 6833.4, 0.00312487/step Wall: 6833.4, 0.00312487/step, 2.46327 hours remaining, 235.210938 MB of memory in use. ENERGY: 2162200 3914.6742 20514.8091 14525.1384 244.9338 -202922.7427 2396.9192 0.0000 0.0000 51945.0574 -109381.2106 298.5290 -161326.2680 -109021.6562 298.7101 -196.3157 -163.0952 762458.6921 -3.5633 -3.3832 PRESSURE: 2162400 -281.641 201.253 181.745 201.253 -346.622 -10.1494 181.744 -10.1498 -26.2037 GPRESSURE: 2162400 -220.487 211.869 191.478 239.625 -297.101 -11.851 192.064 -60.5475 -50.3482 PRESSAVG: 2162400 -6.21319 -33.6773 5.4696 -33.6773 -1.19124 37.2449 5.4695 37.245 16.6412 GPRESSAVG: 2162400 -5.20311 -33.362 5.24101 -31.7932 -2.50642 38.8825 5.29688 37.1028 16.744 TIMING: 2162400 CPU: 6834.02, 0.00312987/step Wall: 6834.02, 0.00312987/step, 2.46703 hours remaining, 235.210938 MB of memory in use. ENERGY: 2162400 3970.3357 20393.9133 14581.7152 241.4596 -203065.1474 2525.2160 0.0000 0.0000 51800.3474 -109552.1604 297.6973 -161352.5077 -109206.7271 298.9587 -218.1556 -189.3119 763002.4967 3.0789 3.0115 PRESSURE: 2162600 -440.467 -121.772 87.717 -121.772 101.96 63.9382 87.7167 63.9377 79.8427 GPRESSURE: 2162600 -334.596 -147.488 74.2404 -181.557 100.548 56.1705 233.671 5.27461 51.1354 PRESSAVG: 2162600 -0.727534 29.8435 -29.8353 29.8435 32.7175 22.8259 -29.8353 22.8259 -28.4691 GPRESSAVG: 2162600 -2.28343 28.2163 -28.5177 28.5055 32.4028 21.7815 -30.3237 23.9207 -27.4376 TIMING: 2162600 CPU: 6834.65, 0.00313694/step Wall: 6834.65, 0.00313694/step, 2.47243 hours remaining, 235.210938 MB of memory in use. ENERGY: 2162600 3864.6201 20485.9732 14551.5987 236.7472 -203179.5827 2452.5451 0.0000 0.0000 52044.9203 -109543.1780 299.1029 -161588.0983 -109180.8746 299.2788 -86.2216 -60.9708 763160.0516 1.1736 0.8939 PRESSURE: 2162800 163.292 -39.2435 -157.587 -39.2447 -40.7183 -20.583 -157.586 -20.5833 401.482 GPRESSURE: 2162800 244.649 -65.6541 -180.511 52.8901 1.37614 -56.271 -149.623 80.4833 366.343 PRESSAVG: 2162800 -23.0627 -45.8684 15.6307 -45.8684 11.2544 13.6263 15.6307 13.6263 -22.6074 GPRESSAVG: 2162800 -23.1039 -44.2981 14.2853 -44.6592 10.8849 13.5091 16.4924 12.8266 -22.4948 TIMING: 2162800 CPU: 6835.28, 0.00314134/step Wall: 6835.28, 0.00314134/step, 2.47573 hours remaining, 235.210938 MB of memory in use. ENERGY: 2162800 3987.5422 20337.7790 14540.7385 246.9296 -202977.5045 2370.3263 0.0000 0.0000 52044.6215 -109449.5674 299.1012 -161494.1888 -109088.2080 298.8238 174.6851 204.1227 761857.8320 -11.4719 -11.5713 PRESSURE: 2163000 -219.312 -54.4311 27.711 -54.4312 -216.819 -61.1979 27.7115 -61.1978 -103.996 GPRESSURE: 2163000 -176.78 -57.4958 76.8972 -77.938 -203.873 -93.5508 -36.8456 -125.386 -80.1778 PRESSAVG: 2163000 -20.0184 -3.30938 -92.473 -3.30933 1.42334 49.3838 -92.473 49.3837 -14.5774 GPRESSAVG: 2163000 -19.6272 -4.62124 -93.0302 -3.83871 1.53859 48.5934 -92.7758 48.4311 -14.8741 TIMING: 2163000 CPU: 6835.91, 0.00313336/step Wall: 6835.91, 0.00313336/step, 2.46926 hours remaining, 235.210938 MB of memory in use. ENERGY: 2163000 3952.4144 20474.1639 14533.0153 253.7151 -203183.3199 2323.3111 0.0000 0.0000 52240.3668 -109406.3333 300.2261 -161646.7000 -109042.7913 299.2639 -180.0422 -153.6104 761963.1376 -11.0575 -10.9875 PRESSURE: 2163200 -12.0378 54.5564 -14.7318 54.5565 32.5597 225.14 -14.7322 225.141 89.789 GPRESSURE: 2163200 42.6735 126.928 54.244 31.675 51.2958 265.072 -27.1792 132.285 102.979 PRESSAVG: 2163200 11.4361 -20.4973 -20.0263 -20.4973 -39.4758 14.3152 -20.0263 14.3151 -6.17207 GPRESSAVG: 2163200 11.4192 -19.0524 -18.6742 -21.8804 -40.7137 14.9532 -20.3 15.3575 -5.36559 TIMING: 2163200 CPU: 6836.53, 0.00312304/step Wall: 6836.53, 0.00312304/step, 2.46095 hours remaining, 235.210938 MB of memory in use. ENERGY: 2163200 3907.1415 20493.3371 14534.9821 234.0541 -203454.1414 2830.1371 0.0000 0.0000 51972.5395 -109481.9500 298.6869 -161454.4895 -109128.3657 298.7742 36.7703 65.6493 763877.3589 -11.4039 -11.5534 PRESSURE: 2163400 -100.456 313.302 -249.781 313.303 283.804 7.27874 -249.78 7.27906 209.377 GPRESSURE: 2163400 44.1965 262.16 -177.62 207.232 264.207 -22.652 -228.722 34.7621 183.568 PRESSAVG: 2163400 -5.92306 21.2373 -6.18747 21.2372 -35.3393 16.2696 -6.18746 16.2696 -2.96831 GPRESSAVG: 2163400 -5.08476 21.8937 -5.20647 20.364 -35.6777 17.1718 -4.06183 17.0859 -3.31721 TIMING: 2163400 CPU: 6837.16, 0.0031587/step Wall: 6837.16, 0.0031587/step, 2.48888 hours remaining, 235.210938 MB of memory in use. ENERGY: 2163400 3969.0791 20606.2142 14488.5383 243.2622 -203442.6530 2687.1839 0.0000 0.0000 51918.3596 -109530.0158 298.3755 -161448.3753 -109166.8097 298.7893 130.9080 163.9904 759866.8627 -14.7436 -14.6932 PRESSURE: 2163600 -348.975 129.974 69.923 129.973 56.5818 -111.713 69.9231 -111.713 41.8349 GPRESSURE: 2163600 -214.396 187.37 9.3249 137.886 71.4335 -124.454 157.647 91.2177 -20.4412 PRESSAVG: 2163600 -20.4293 23.5411 -16.2851 23.5411 21.958 10.7348 -16.285 10.7348 -2.31096 GPRESSAVG: 2163600 -21.4081 22.989 -18.5631 23.8362 22.5403 9.73106 -17.629 10.4613 -1.69271 TIMING: 2163600 CPU: 6837.8, 0.00316449/step Wall: 6837.8, 0.00316449/step, 2.49327 hours remaining, 235.210938 MB of memory in use. ENERGY: 2163600 3906.4156 20323.3979 14539.7786 240.3422 -203198.0161 2430.4260 0.0000 0.0000 52227.5865 -109530.0694 300.1527 -161757.6559 -109163.0562 299.1694 -83.5195 -54.4679 760999.9873 -0.2608 -0.1868 PRESSURE: 2163800 -96.2486 -28.1057 19.4539 -28.1064 313.174 199.995 19.4541 199.996 -257.341 GPRESSURE: 2163800 -73.0971 12.7326 -25.4182 -57.844 301.711 136.957 87.4154 136.841 -200.534 PRESSAVG: 2163800 -18.0672 -4.30693 0.301919 -4.30691 -5.53815 23.1208 0.301924 23.1209 -9.44758 GPRESSAVG: 2163800 -18.2382 -4.71893 0.476692 -3.01295 -5.17247 21.6314 1.25143 21.082 -9.94223 TIMING: 2163800 CPU: 6838.42, 0.00314039/step Wall: 6838.42, 0.00314039/step, 2.47411 hours remaining, 235.210938 MB of memory in use. ENERGY: 2163800 3953.8082 20541.4295 14524.4504 263.4059 -203395.9126 2705.3842 0.0000 0.0000 51761.5451 -109645.8894 297.4743 -161407.4344 -109272.7906 298.6719 -13.4717 9.3599 760760.6060 -11.0176 -11.1176 PRESSURE: 2164000 163.307 38.9766 -11.137 38.9772 -278.6 -115.756 -11.1362 -115.755 -124.411 GPRESSURE: 2164000 201.602 26.1615 -79.9709 31.4647 -227.334 -76.0617 -62.0109 -65.1427 -119.829 PRESSAVG: 2164000 -22.4032 -44.1933 -20.7679 -44.1933 60.546 20.92 -20.768 20.92 -18.237 GPRESSAVG: 2164000 -23.4377 -43.6302 -20.2328 -43.817 61.4233 20.8713 -19.5588 22.6726 -17.8786 TIMING: 2164000 CPU: 6839.05, 0.00313595/step Wall: 6839.05, 0.00313595/step, 2.47043 hours remaining, 235.210938 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: 2164000 4018.5011 20547.5973 14489.9714 232.8043 -203270.4295 2584.2537 0.0000 0.0000 51945.6400 -109451.6616 298.5323 -161397.3017 -109094.4245 298.5131 -79.9013 -48.5206 761489.8277 6.6353 6.7023 PRESSURE: 2164200 178.115 -196.872 236.684 -196.872 42.9125 -72.4615 236.683 -72.4618 -79.1682 GPRESSURE: 2164200 152.407 -83.4906 274.583 -181.465 77.9874 -132.891 159.066 -123.662 6.46371 PRESSAVG: 2164200 -8.38264 -26.57 6.20265 -26.5699 35.1059 -7.32267 6.2026 -7.32263 16.367 GPRESSAVG: 2164200 -9.2194 -25.6569 5.51841 -26.8912 35.056 -6.18111 7.24328 -7.35411 17.5276 TIMING: 2164200 CPU: 6839.68, 0.00313991/step Wall: 6839.68, 0.00313991/step, 2.47338 hours remaining, 235.210938 MB of memory in use. ENERGY: 2164200 3880.9809 20351.2934 14513.1528 234.6279 -203302.0103 2861.3432 0.0000 0.0000 52064.8671 -109395.7449 299.2175 -161460.6121 -109034.5200 299.0287 47.2864 78.9527 763287.4462 14.3634 14.4547 LDB: ============= START OF LOAD BALANCING ============== 6852.21 LDB: ============== END OF LOAD BALANCING =============== 6852.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6852.21 LDB: ============= START OF LOAD BALANCING ============== 6852.53 LDB: Largest compute 7031 load 0.028748 is 14.7% of average load 0.195457 LDB: Average compute 0.004387 is 2.2% of average load 0.195457 LDB: TIME 6852.53 LOAD: AVG 0.195457 MAX 0.219318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 6852.53 LOAD: AVG 0.195457 MAX 0.219318 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 6852.53 LOAD: AVG 0.195457 MAX 0.216403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 6852.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6852.54 PRESSURE: 2164400 -426.731 -136.003 -71.7642 -136.003 278.989 118.056 -71.764 118.056 -250.071 GPRESSURE: 2164400 -355.765 -77.9969 -130.902 -128.839 218.03 42.7454 13.891 62.8434 -166.18 PRESSAVG: 2164400 38.9048 -18.7613 5.3604 -18.7612 -54.2158 -1.62462 5.36031 -1.62477 1.94345 GPRESSAVG: 2164400 40.2373 -20.7409 5.17759 -19.2806 -54.7401 -0.0672444 3.93765 -2.8225 1.2684 TIMING: 2164400 CPU: 6840.32, 0.00321507/step Wall: 6840.32, 0.00321507/step, 2.5324 hours remaining, 235.906250 MB of memory in use. ENERGY: 2164400 3963.6526 20608.0172 14447.3949 222.0981 -203213.7422 2432.5200 0.0000 0.0000 52270.7487 -109269.3109 300.4007 -161540.0595 -108913.9302 299.4869 -132.6042 -101.3048 761625.5677 -4.4559 -4.4115 PRESSURE: 2164600 -11.0901 -171.418 64.5218 -171.418 -442.293 59.4155 64.522 59.4152 42.2588 GPRESSURE: 2164600 -45.6242 -278.757 -53.2309 -59.6715 -376.429 -1.68607 70.753 -93.3016 95.2755 PRESSAVG: 2164600 61.575 -31.9104 1.27895 -31.9104 -55.232 -3.34787 1.27897 -3.34788 -13.3322 GPRESSAVG: 2164600 61.0043 -32.3405 1.32236 -30.9443 -53.948 -2.96042 2.33682 -5.20095 -14.0741 TIMING: 2164600 CPU: 6840.95, 0.0031216/step Wall: 6840.95, 0.0031216/step, 2.45861 hours remaining, 236.199219 MB of memory in use. ENERGY: 2164600 4021.6420 20558.1712 14500.7966 231.3164 -203671.8757 2864.9741 0.0000 0.0000 52296.7939 -109198.1815 300.5504 -161494.9754 -108836.8585 299.7375 -137.0415 -108.9260 761380.6835 -2.3298 -2.3392 PRESSURE: 2164800 -498.555 -18.6818 -125.844 -18.6813 -103.619 189.629 -125.843 189.63 -200.63 GPRESSURE: 2164800 -355.116 -106.661 1.32186 2.96258 -151.956 254.059 -204.77 194.684 -201.519 PRESSAVG: 2164800 -10.3423 -9.75992 -49.2558 -9.75987 -0.0332067 -16.771 -49.2558 -16.7711 26.6299 GPRESSAVG: 2164800 -9.16235 -9.14244 -47.7865 -9.31064 -2.02401 -19.0165 -52.7265 -14.781 27.2733 TIMING: 2164800 CPU: 6841.57, 0.00312827/step Wall: 6841.57, 0.00312827/step, 2.46368 hours remaining, 236.199219 MB of memory in use. ENERGY: 2164800 3974.0214 20498.8052 14513.5344 213.2378 -202639.3264 2257.0229 0.0000 0.0000 52108.3893 -109074.3153 299.4676 -161182.7046 -108706.8880 299.9090 -267.6013 -236.1970 764034.9409 5.4181 5.3623 PRESSURE: 2165000 72.1203 -75.8526 -171.542 -75.8525 18.1842 -167.146 -171.541 -167.145 -55.057 GPRESSURE: 2165000 -3.27846 -100.642 -171.283 -112.533 78.4202 -203.884 -57.096 -109.178 33.0574 PRESSAVG: 2165000 14.0898 -47.7654 -37.6451 -47.7654 -48.5024 30.515 -37.6451 30.515 5.1965 GPRESSAVG: 2165000 12.7377 -49.9928 -38.7942 -48.1707 -48.0248 29.9717 -34.9665 32.6562 6.15913 TIMING: 2165000 CPU: 6842.2, 0.00312836/step Wall: 6842.2, 0.00312836/step, 2.46358 hours remaining, 236.199219 MB of memory in use. ENERGY: 2165000 3985.3578 20483.8015 14507.5904 248.5139 -203168.8644 2570.5739 0.0000 0.0000 52077.1915 -109295.8353 299.2883 -161373.0268 -108925.0949 299.5564 11.7492 36.0664 762182.6310 -9.7387 -9.7093 PRESSURE: 2165200 -322.446 -84.0225 -22.6647 -84.0227 -277.482 -161.819 -22.665 -161.818 -111.371 GPRESSURE: 2165200 -329.392 -93.5337 38.3199 -9.34514 -132.612 -135.505 -154.892 -93.8254 -155.656 PRESSAVG: 2165200 -1.59667 -38.733 -8.78915 -38.733 -24.4841 58.595 -8.78913 58.595 -14.1672 GPRESSAVG: 2165200 -0.779048 -36.549 -7.78608 -39.0207 -23.1356 61.0335 -8.73582 56.5439 -16.2671 TIMING: 2165200 CPU: 6842.83, 0.00313789/step Wall: 6842.83, 0.00313789/step, 2.47091 hours remaining, 236.199219 MB of memory in use. ENERGY: 2165200 3950.8901 20630.0971 14548.3395 250.4456 -203026.0461 2411.1192 0.0000 0.0000 52079.4170 -109155.7377 299.3011 -161235.1546 -108782.5592 299.4925 -237.0997 -205.8866 763180.8161 -13.4160 -13.3939 PRESSURE: 2165400 7.96571 47.5693 99.2153 47.569 70.9535 65.0155 99.2155 65.0158 256.454 GPRESSURE: 2165400 126.595 -37.8799 46.2748 -77.1767 110.433 34.5061 92.1902 -57.1271 178.522 PRESSAVG: 2165400 49.7167 -46.4268 9.81982 -46.4268 -43.0496 14.3954 9.81979 14.3954 0.999569 GPRESSAVG: 2165400 50.9107 -47.4175 8.46469 -45.2064 -43.7412 12.7674 10.2076 14.029 0.506272 TIMING: 2165400 CPU: 6843.45, 0.00312587/step Wall: 6843.45, 0.00312587/step, 2.46128 hours remaining, 236.199219 MB of memory in use. ENERGY: 2165400 3899.7671 20540.3820 14521.6011 238.1750 -203402.5809 2775.8286 0.0000 0.0000 52116.9461 -109309.8810 299.5168 -161426.8271 -108956.1790 299.3173 111.7910 138.5167 762122.5443 2.5555 2.5586 PRESSURE: 2165600 332.355 -75.5201 192.715 -75.5209 -34.1747 -128.286 192.715 -128.285 -7.5663 GPRESSURE: 2165600 333.944 -91.8443 167.511 -26.3012 -17.7069 -115.565 124.008 -107.269 46.3844 PRESSAVG: 2165600 53.0349 -35.3239 -2.8399 -35.3239 -18.4196 64.5984 -2.83989 64.5984 17.9279 GPRESSAVG: 2165600 52.1204 -34.1604 -2.83373 -34.9739 -20.041 65.0723 -2.56781 63.8871 20.2839 TIMING: 2165600 CPU: 6844.08, 0.00313265/step Wall: 6844.08, 0.00313265/step, 2.46644 hours remaining, 236.199219 MB of memory in use. ENERGY: 2165600 3903.8547 20557.4823 14580.4444 261.3796 -202924.9950 2498.3883 0.0000 0.0000 51918.1066 -109205.3391 298.3741 -161123.4457 -108841.3505 299.1083 96.8714 120.8737 762404.6051 17.5144 17.4544 PRESSURE: 2165800 -365.385 67.984 -183.028 67.9837 -90.3203 -89.3478 -183.028 -89.348 -234.576 GPRESSURE: 2165800 -321.29 42.32 -205.474 -6.1635 -91.3961 -11.0709 -272.667 -164.265 -191.905 PRESSAVG: 2165800 41.7079 43.6726 -56.3531 43.6726 -37.9753 -12.8403 -56.3533 -12.8403 28.1461 GPRESSAVG: 2165800 40.8434 42.2603 -55.5472 44.7702 -37.5139 -12.3703 -57.4795 -10.982 28.1159 TIMING: 2165800 CPU: 6844.7, 0.00312822/step Wall: 6844.7, 0.00312822/step, 2.46278 hours remaining, 236.199219 MB of memory in use. ENERGY: 2165800 3941.3668 20648.9908 14431.2513 247.6010 -203021.8589 2426.8617 0.0000 0.0000 52126.5814 -109199.2058 299.5722 -161325.7871 -108851.0286 299.1811 -230.0940 -201.5303 765022.3368 10.6262 10.4818 PRESSURE: 2166000 -44.1421 35.1674 -15.0655 35.1676 31.2276 94.7154 -15.0661 94.7134 -184.273 GPRESSURE: 2166000 -66.2966 46.5275 13.5351 17.8625 26.5601 130.585 -21.7287 115.167 -70.105 PRESSAVG: 2166000 4.04304 47.2437 -9.77728 47.2438 -10.9752 -18.9024 -9.77734 -18.9024 11.1225 GPRESSAVG: 2166000 4.67422 47.9142 -11.6229 44.1993 -10.5232 -19.2326 -7.98195 -19.6076 9.81225 TIMING: 2166000 CPU: 6845.33, 0.00315864/step Wall: 6845.33, 0.00315864/step, 2.48655 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: 2166000 3984.9184 20467.4480 14588.6824 247.0431 -203090.2782 2621.3517 0.0000 0.0000 52009.6100 -109171.2245 298.8999 -161180.8345 -108816.3223 299.4814 -65.7292 -36.6138 763503.5412 1.3968 1.3211 PRESSURE: 2166200 -194.13 13.2167 248.553 13.217 -10.8694 -178.944 248.553 -178.946 -370.557 GPRESSURE: 2166200 -174.981 59.0742 266.445 -60.8621 13.9042 -224.609 91.3705 -91.6972 -324.798 PRESSAVG: 2166200 -31.2532 18.5657 68.3172 18.5657 4.20287 40.3825 68.3171 40.3825 -19.6009 GPRESSAVG: 2166200 -32.243 18.7546 70.2106 20.3517 4.27275 40.7654 68.3237 40.6037 -19.2141 TIMING: 2166200 CPU: 6845.97, 0.00317707/step Wall: 6845.97, 0.00317707/step, 2.50088 hours remaining, 236.199219 MB of memory in use. ENERGY: 2166200 4043.5339 20572.1894 14486.2319 236.0262 -203430.1590 2815.1644 0.0000 0.0000 52273.9763 -109003.0369 300.4193 -161277.0132 -108648.0326 299.7380 -191.8523 -161.9582 763270.8010 -15.5504 -15.7281 PRESSURE: 2166400 -9.90405 -66.7981 104.621 -66.7982 -52.6877 121.604 104.621 121.603 -27.2558 GPRESSURE: 2166400 17.6098 -104.458 -32.9824 -38.5408 -3.55716 219.843 65.3677 193.915 -15.8258 PRESSAVG: 2166400 -12.4354 -79.4893 46.3635 -79.4893 23.5151 -53.6481 46.3635 -53.6481 0.691369 GPRESSAVG: 2166400 -10.986 -77.7796 44.5021 -79.5134 23.9002 -53.3393 43.7815 -54.4527 -0.921384 TIMING: 2166400 CPU: 6846.61, 0.00317953/step Wall: 6846.61, 0.00317953/step, 2.50264 hours remaining, 236.199219 MB of memory in use. ENERGY: 2166400 3916.5373 20672.8936 14566.5061 241.2727 -203164.8889 2507.8632 0.0000 0.0000 52250.0151 -109009.8009 300.2816 -161259.8160 -108659.2448 300.3795 -29.9492 -0.5910 763761.8289 3.9237 3.9976 PRESSURE: 2166600 -125.779 35.3802 152.915 35.3804 312.084 -18.4742 152.915 -18.4736 -8.8606 GPRESSURE: 2166600 -93.78 129.249 138.724 28.8327 312.07 -112.849 81.8748 -33.4466 30.3267 PRESSAVG: 2166600 -32.9853 -41.0385 43.7138 -41.0384 14.4525 24.3597 43.7139 24.3598 -16.8123 GPRESSAVG: 2166600 -34.3786 -43.3637 45.5485 -41.8524 14.4545 23.1854 44.5981 24.8806 -15.6484 TIMING: 2166600 CPU: 6847.24, 0.0031839/step Wall: 6847.24, 0.0031839/step, 2.50591 hours remaining, 236.199219 MB of memory in use. ENERGY: 2166600 3977.6340 20493.3675 14601.6927 258.1844 -203246.0678 2637.9657 0.0000 0.0000 52072.8551 -109204.3684 299.2634 -161277.2235 -108841.6157 300.1761 59.1480 82.8723 762843.6941 -11.7817 -11.8575 PRESSURE: 2166800 18.9368 -6.75333 84.3922 -6.7534 -17.505 21.861 84.3927 21.8596 247.106 GPRESSURE: 2166800 116.88 -68.2915 126.343 -33.6935 64.7161 1.92924 57.7157 36.9095 164.224 PRESSAVG: 2166800 -57.6699 -45.1528 -6.2115 -45.1527 41.7465 -54.8407 -6.2115 -54.8407 0.29519 GPRESSAVG: 2166800 -58.3162 -45.0654 -6.10597 -43.1819 42.4635 -53.6691 -5.60409 -54.2731 0.604882 TIMING: 2166800 CPU: 6847.88, 0.00319533/step Wall: 6847.88, 0.00319533/step, 2.51472 hours remaining, 236.402344 MB of memory in use. ENERGY: 2166800 3993.1918 20396.7662 14594.1025 252.5836 -203273.5689 2966.6479 0.0000 0.0000 52080.9763 -108989.3005 299.3101 -161070.2768 -108621.6076 299.7141 82.8461 115.2733 763762.0986 -5.2094 -5.0826 PRESSURE: 2167000 199.907 -39.1668 46.1611 -39.1672 -217.077 -416.057 46.1612 -416.057 -47.3869 GPRESSURE: 2167000 88.8779 18.1934 36.6164 -133.701 42.4726 -340.732 88.6376 -359.439 -100.842 PRESSAVG: 2167000 -8.53743 -26.8621 -57.226 -26.8621 28.8119 -34.4619 -57.2259 -34.4619 20.5243 GPRESSAVG: 2167000 -7.60826 -24.5736 -57.9227 -29.1388 28.6596 -35.7882 -57.0618 -33.5837 19.7993 TIMING: 2167000 CPU: 6848.52, 0.00318588/step Wall: 6848.52, 0.00318588/step, 2.50711 hours remaining, 236.402344 MB of memory in use. ENERGY: 2167000 3976.3277 20513.9367 14501.8363 251.9226 -203803.4307 2996.9514 0.0000 0.0000 52233.2429 -109329.2132 300.1852 -161562.4561 -108961.0489 299.2519 -21.5188 10.1695 762503.1468 13.5996 13.6169 PRESSURE: 2167200 -102.512 -10.8232 -33.8683 -10.8223 -177.298 -174.077 -33.8681 -174.076 53.6274 GPRESSURE: 2167200 -90.1949 -76.6061 -37.5148 -1.9266 -221.455 -226.202 -14.5214 -162.353 158.65 PRESSAVG: 2167200 -90.2046 26.6066 -13.8996 26.6066 63.6073 -41.2943 -13.8996 -41.2942 -12.0579 GPRESSAVG: 2167200 -90.4731 22.9603 -14.2144 27.0918 62.5077 -41.5721 -13.4863 -41.8623 -11.0099 TIMING: 2167200 CPU: 6849.15, 0.00318174/step Wall: 6849.15, 0.00318174/step, 2.50367 hours remaining, 236.402344 MB of memory in use. ENERGY: 2167200 3968.0716 20491.2375 14562.0381 244.8664 -203219.1508 2543.5138 0.0000 0.0000 52087.9811 -109321.4424 299.3503 -161409.4235 -108973.2181 299.5507 -75.3942 -51.0001 763117.9675 -12.8851 -12.9918 PRESSURE: 2167400 92.486 73.0767 -226.201 73.0781 202.772 59.0604 -226.201 59.0612 -68.7164 GPRESSURE: 2167400 150.629 89.3824 -293.732 59.8979 259.104 127.121 -136.083 133.312 -97.3398 PRESSAVG: 2167400 -1.08442 -13.1864 22.0771 -13.1864 19.7913 20.7447 22.0771 20.7447 11.1769 GPRESSAVG: 2167400 -1.5685 -10.4126 22.8308 -15.109 20.8543 21.6592 22.2106 19.2792 10.6366 TIMING: 2167400 CPU: 6849.79, 0.0031982/step Wall: 6849.79, 0.0031982/step, 2.51645 hours remaining, 236.468750 MB of memory in use. ENERGY: 2167400 3968.2835 20470.6641 14582.0486 242.5701 -203874.8197 2906.6701 0.0000 0.0000 52260.9572 -109443.6261 300.3444 -161704.5833 -109074.9003 298.9037 75.5138 104.1311 761440.7607 9.9613 9.9741 PRESSURE: 2167600 71.0042 -172.523 235.039 -172.522 172.484 -9.17271 235.038 -9.1717 -26.2286 GPRESSURE: 2167600 102.143 -186.352 209.572 -130.931 211.412 -63.1659 333.148 -146.421 -25.8244 PRESSAVG: 2167600 -20.2615 -5.21148 3.99646 -5.21145 0.200454 -31.4768 3.99635 -31.4768 18.4691 GPRESSAVG: 2167600 -19.4838 -6.40515 1.95346 -1.91759 -1.44428 -31.6427 3.71603 -29.7336 19.4688 TIMING: 2167600 CPU: 6850.43, 0.00318695/step Wall: 6850.43, 0.00318695/step, 2.50742 hours remaining, 236.468750 MB of memory in use. ENERGY: 2167600 4005.0471 20541.9761 14589.5080 248.5110 -203364.9231 2717.7482 0.0000 0.0000 51907.7551 -109354.3776 298.3146 -161262.1327 -108997.5758 299.3185 72.4197 95.9102 762707.6931 -0.5306 -0.4864 PRESSURE: 2167800 41.7365 -67.2852 72.0511 -67.2849 160.497 -99.8657 72.0506 -99.8649 163.879 GPRESSURE: 2167800 43.0128 -87.8996 70.5485 -9.31004 119.695 -43.5338 151.743 22.2826 295.266 PRESSAVG: 2167800 -72.2502 -53.8671 47.9145 -53.8672 32.2442 -26.839 47.9144 -26.8391 5.02568 GPRESSAVG: 2167800 -73.506 -52.4321 50.8709 -54.4685 33.1471 -28.6631 45.6915 -26.9932 4.94676 TIMING: 2167800 CPU: 6851.07, 0.00318349/step Wall: 6851.07, 0.00318349/step, 2.50452 hours remaining, 236.468750 MB of memory in use. ENERGY: 2167800 4021.5538 20550.4207 14553.6529 258.8424 -203457.7906 2885.5954 0.0000 0.0000 51898.9980 -109288.7274 298.2643 -161187.7254 -108927.9077 298.5286 122.0374 152.6578 763310.2722 -11.6601 -11.8041 PRESSURE: 2168000 4.66908 103.676 -71.1616 103.677 213.145 40.3633 -71.1625 40.3626 229.169 GPRESSURE: 2168000 54.3404 43.2052 -14.5009 172.29 172.264 142.098 -13.4269 24.6924 317.153 PRESSAVG: 2168000 -23.5168 18.2091 3.83665 18.2091 82.09 23.0398 3.83671 23.0397 -14.6776 GPRESSAVG: 2168000 -22.8998 16.7767 3.77652 17.2368 82.0205 23.9137 6.06158 22.3848 -15.1892 TIMING: 2168000 CPU: 6851.71, 0.00319938/step Wall: 6851.71, 0.00319938/step, 2.51684 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: 2168000 4043.5333 20542.0643 14498.3422 243.9010 -203899.5047 3023.0137 0.0000 0.0000 52258.7300 -109289.9202 300.3316 -161548.6501 -108924.5359 299.3007 148.9945 181.2526 762187.7162 14.6319 14.6438 PRESSURE: 2168200 7.98917 -7.52493 -49.6782 -7.5249 103.454 224.912 -49.6787 224.912 122.481 GPRESSURE: 2168200 51.8918 -19.0993 3.27262 3.35379 185.249 232.447 -122.283 283.13 91.918 PRESSAVG: 2168200 -23.1881 54.4285 -30.8981 54.4286 45.4968 -30.2195 -30.8981 -30.2195 9.24219 GPRESSAVG: 2168200 -23.6147 55.3054 -31.8618 55.0183 44.8571 -30.245 -30.7719 -32.2934 9.69547 TIMING: 2168200 CPU: 6852.35, 0.0032087/step Wall: 6852.35, 0.0032087/step, 2.524 hours remaining, 236.527344 MB of memory in use. ENERGY: 2168200 4033.1449 20487.7762 14495.9155 253.5649 -203095.9032 2598.9801 0.0000 0.0000 51673.1477 -109553.3738 296.9663 -161226.5215 -109195.9378 299.0145 77.9746 109.6861 761531.8253 10.5170 10.3127 LDB: ============= START OF LOAD BALANCING ============== 6864.89 LDB: ============== END OF LOAD BALANCING =============== 6864.89 LDB: =============== DONE WITH MIGRATION ================ 6864.89 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6865.21 LDB: Largest compute 7026 load 0.029001 is 14.3% of average load 0.203166 LDB: Average compute 0.004464 is 2.2% of average load 0.203166 LDB: TIME 6865.21 LOAD: AVG 0.203166 MAX 0.246644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.574 MB LDB: TIME 6865.21 LOAD: AVG 0.203166 MAX 0.246644 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: TIME 6865.21 LOAD: AVG 0.203166 MAX 0.226657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: ============== END OF LOAD BALANCING =============== 6865.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.22 PRESSURE: 2168400 223.035 51.5426 -143.051 51.5426 61.0068 151.224 -143.051 151.224 64.7516 GPRESSURE: 2168400 277.298 65.996 -150.982 10.9865 46.7039 84.5776 -147.69 127.003 106.885 PRESSAVG: 2168400 -59.7825 -19.1761 -32.4754 -19.1761 44.0358 5.18053 -32.4754 5.18065 18.612 GPRESSAVG: 2168400 -59.6736 -20.3231 -31.4524 -18.3592 44.1078 4.59526 -31.7955 6.93523 18.7594 TIMING: 2168400 CPU: 6853, 0.00326863/step Wall: 6853, 0.00326863/step, 2.57096 hours remaining, 236.937500 MB of memory in use. ENERGY: 2168400 3951.7826 20239.5600 14504.5475 253.5323 -203330.3907 2631.1462 0.0000 0.0000 52144.6054 -109605.2166 299.6758 -161749.8220 -109238.1563 298.5850 116.2646 143.6291 760897.3887 0.9551 1.0645 PRESSURE: 2168600 133.589 98.2927 -89.3001 98.2922 165.83 -8.67813 -89.3006 -8.68001 286.817 GPRESSURE: 2168600 212.881 81.0897 19.5128 84.9086 169.526 3.202 -110.444 56.9355 300.208 PRESSAVG: 2168600 -51.589 22.8901 -7.67924 22.89 32.4662 44.8161 -7.67929 44.8161 9.33636 GPRESSAVG: 2168600 -51.5603 25.7373 -8.2792 21.2845 32.4344 45.8657 -10.1811 44.0003 9.9556 TIMING: 2168600 CPU: 6853.64, 0.00320119/step Wall: 6853.64, 0.00320119/step, 2.51774 hours remaining, 237.343750 MB of memory in use. ENERGY: 2168600 4005.0788 20360.7676 14476.3805 235.7403 -203535.3749 2965.0834 0.0000 0.0000 51818.1116 -109674.2126 297.7994 -161492.3242 -109316.2206 298.4521 195.4118 227.5384 761314.3143 -3.2621 -3.0568 PRESSURE: 2168800 -155.576 154.404 -14.0746 154.403 -332.576 -73.1667 -14.0749 -73.1672 -239.326 GPRESSURE: 2168800 -164.053 48.5717 35.9728 135.527 -285.241 -98.4964 -31.8149 -29.0902 -201.775 PRESSAVG: 2168800 -34.3888 -1.16299 10.2983 -1.16298 36.7661 16.6249 10.2983 16.625 -14.2374 GPRESSAVG: 2168800 -34.3794 -1.71254 8.83279 -1.9624 36.6157 14.436 11.7194 18.0045 -14.4766 TIMING: 2168800 CPU: 6854.28, 0.00319718/step Wall: 6854.28, 0.00319718/step, 2.5144 hours remaining, 237.343750 MB of memory in use. ENERGY: 2168800 3934.1164 20523.4587 14508.4177 234.5909 -203701.0820 2789.8490 0.0000 0.0000 52073.8557 -109636.7936 299.2692 -161710.6493 -109287.1019 298.1751 -242.4925 -217.0232 761831.1735 -3.9534 -4.0801 PRESSURE: 2169000 163.08 152.072 -15.4286 152.072 -38.8876 14.5459 -15.4282 14.5452 -153.582 GPRESSURE: 2169000 140.345 123.903 29.9536 150.431 -20.7868 -37.2662 -7.46039 57.1521 -84.7247 PRESSAVG: 2169000 21.6577 16.2576 -32.9888 16.2576 2.36872 -6.55813 -32.9887 -6.55817 34.4947 GPRESSAVG: 2169000 23.1533 15.8698 -32.1078 17.2612 1.88631 -4.38048 -34.6986 -7.10877 33.4311 TIMING: 2169000 CPU: 6854.92, 0.00319522/step Wall: 6854.92, 0.00319522/step, 2.51268 hours remaining, 237.343750 MB of memory in use. ENERGY: 2169000 3956.2544 20366.6850 14503.3761 239.1140 -203770.5329 2829.7633 0.0000 0.0000 52092.5298 -109782.8104 299.3765 -161875.3402 -109417.1874 298.6430 -9.7963 11.6111 760154.3449 19.5071 19.4902 PRESSURE: 2169200 -48.268 22.0841 94.2167 22.0843 178.482 1.64548 94.2172 1.64566 -71.4644 GPRESSURE: 2169200 -42.5337 140.812 99.4823 20.9693 161.35 59.58 55.8771 -18.2761 17.7238 PRESSAVG: 2169200 31.4675 6.67331 -44.0646 6.67333 -41.6153 -5.85056 -44.0646 -5.85051 8.22182 GPRESSAVG: 2169200 30.1444 8.0504 -45.1076 6.92798 -40.9258 -6.81699 -41.8926 -6.32301 8.76621 TIMING: 2169200 CPU: 6855.57, 0.00321264/step Wall: 6855.57, 0.00321264/step, 2.52621 hours remaining, 237.554688 MB of memory in use. ENERGY: 2169200 3969.4869 20514.8286 14519.0142 231.8734 -203522.2366 2555.0636 0.0000 0.0000 51949.6961 -109782.2738 298.5556 -161731.9699 -109416.5861 298.4175 19.5831 45.5132 761813.4827 -0.6420 -0.6717 PRESSURE: 2169400 192.906 38.5704 4.82341 38.5711 -95.9874 206.462 4.82357 206.462 -188.654 GPRESSURE: 2169400 241.481 30.4415 -36.9487 61.4353 -123.868 220.72 55.1856 20.073 -134.885 PRESSAVG: 2169400 25.5391 56.7123 -30.0728 56.7123 -6.00013 -17.9451 -30.0728 -17.9451 17.7223 GPRESSAVG: 2169400 25.1735 54.7124 -28.112 55.8943 -5.91479 -16.1682 -31.9724 -19.585 17.9053 TIMING: 2169400 CPU: 6856.2, 0.00319741/step Wall: 6856.2, 0.00319741/step, 2.51405 hours remaining, 237.554688 MB of memory in use. ENERGY: 2169400 4024.7912 20387.1920 14456.8159 242.2275 -203697.7671 2781.3998 0.0000 0.0000 52137.6079 -109667.7329 299.6355 -161805.3408 -109304.6251 298.5968 -30.5786 -5.7576 761331.0012 12.4204 12.3880 PRESSURE: 2169600 180.981 38.3833 -209.236 38.3831 379.823 -117.715 -209.236 -117.715 -355.838 GPRESSURE: 2169600 82.7241 66.1563 -216.062 -13.6932 439.257 -149.13 -186.299 -148.096 -245.539 PRESSAVG: 2169600 98.7775 -1.58803 29.4397 -1.58796 -81.4674 -5.27362 29.4397 -5.27369 25.0092 GPRESSAVG: 2169600 98.7952 -1.54245 28.7336 -0.554197 -81.6594 -7.7781 30.0582 -1.84912 25.0936 TIMING: 2169600 CPU: 6856.84, 0.00319034/step Wall: 6856.84, 0.00319034/step, 2.50832 hours remaining, 237.625000 MB of memory in use. ENERGY: 2169600 3971.6815 20370.3539 14471.8032 248.0517 -203377.2944 2618.9709 0.0000 0.0000 52283.1777 -109413.2555 300.4721 -161696.4332 -109048.8850 298.6924 68.3222 92.1475 761878.8031 14.1065 14.0765 PRESSURE: 2169800 -315.594 -53.1856 -179.84 -53.1847 -498.034 -125.267 -179.838 -125.266 -160.912 GPRESSURE: 2169800 -301.262 -100.273 -180.235 -63.0332 -333.341 -199.025 -29.6698 -144.396 -255.398 PRESSAVG: 2169800 22.5908 16.1664 4.80396 16.1664 10.4485 -7.51048 4.80393 -7.51051 -13.2013 GPRESSAVG: 2169800 22.0841 17.0434 4.01807 15.5641 11.4723 -7.5486 5.45735 -7.9546 -13.4519 TIMING: 2169800 CPU: 6857.48, 0.00320006/step Wall: 6857.48, 0.00320006/step, 2.51578 hours remaining, 237.625000 MB of memory in use. ENERGY: 2169800 4003.0391 20430.9655 14542.4677 240.3353 -203084.3865 2513.6392 0.0000 0.0000 52020.7293 -109333.2103 298.9638 -161353.9397 -108978.0448 298.8617 -324.8467 -296.6667 762878.4530 6.6127 6.7015 PRESSURE: 2170000 -148.028 -16.1466 157.235 -16.1473 -188.772 316.406 157.236 316.406 -164.086 GPRESSURE: 2170000 -107.053 -107.769 233.567 37.8629 -133.785 355.104 101.872 360.02 -162.114 PRESSAVG: 2170000 62.5631 7.20732 3.67133 7.20736 -57.7294 -23.0264 3.67132 -23.0264 -15.4811 GPRESSAVG: 2170000 63.5462 6.78958 5.69662 9.55145 -57.7598 -21.1722 2.3202 -24.547 -15.846 TIMING: 2170000 CPU: 6858.13, 0.00321816/step Wall: 6858.13, 0.00321816/step, 2.52983 hours remaining, 237.625000 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: 2170000 3998.0932 20420.0563 14627.6667 239.4352 -203531.3928 2842.9777 0.0000 0.0000 52145.0538 -109258.1100 299.6783 -161403.1638 -108898.0418 298.9717 -166.9619 -134.3171 762232.3792 -3.5492 -3.3532 PRESSURE: 2170200 259.038 -84.248 -39.5745 -84.2477 167.948 -129.737 -39.5745 -129.736 -35.5019 GPRESSURE: 2170200 254.512 -108.794 -142.109 -174.228 237.132 -197.45 -91.0321 -51.7204 -10.9371 PRESSAVG: 2170200 -26.8924 -33.3909 -20.1899 -33.3909 36.6508 -23.063 -20.19 -23.0631 25.4468 GPRESSAVG: 2170200 -26.6439 -32.7696 -21.8612 -33.6072 36.4816 -24.216 -19.8024 -22.1999 25.6153 TIMING: 2170200 CPU: 6858.77, 0.00321018/step Wall: 6858.77, 0.00321018/step, 2.52338 hours remaining, 237.625000 MB of memory in use. ENERGY: 2170200 3974.8991 20456.9265 14550.1464 230.2284 -203563.5097 2873.6357 0.0000 0.0000 52296.2418 -109181.4319 300.5472 -161477.6737 -108808.5502 299.0225 130.4946 160.2358 760443.0653 11.7351 11.8177 PRESSURE: 2170400 -269.493 -79.2323 174.345 -79.2319 -275.93 269.047 174.346 269.047 -15.5171 GPRESSURE: 2170400 -211.677 59.1634 110.302 -30.7837 -279.883 294.863 87.725 181.154 30.9464 PRESSAVG: 2170400 26.5694 -6.6228 -27.8751 -6.62277 5.34663 -26.0228 -27.8751 -26.0228 -7.66954 GPRESSAVG: 2170400 25.4792 -7.4386 -28.6048 -7.0902 4.88768 -25.9156 -28.4598 -28.1278 -6.60816 TIMING: 2170400 CPU: 6859.41, 0.00321033/step Wall: 6859.41, 0.00321033/step, 2.52332 hours remaining, 237.625000 MB of memory in use. ENERGY: 2170400 3971.4040 20456.1344 14516.2405 246.1902 -203016.0493 2390.9813 0.0000 0.0000 51936.4975 -109498.6013 298.4798 -161435.0988 -109128.0980 299.3472 -186.9799 -153.5380 762895.6680 8.0822 7.9196 PRESSURE: 2170600 -88.5087 213.228 80.7122 213.229 -33.5335 148.596 80.7112 148.596 -176.496 GPRESSURE: 2170600 -10.6969 236.674 57.319 263.216 -52.9947 117.174 13.1004 132.032 -166.263 PRESSAVG: 2170600 -50.8854 66.2201 -18.9392 66.2201 47.8676 -26.0488 -18.9393 -26.0487 -5.09161 GPRESSAVG: 2170600 -50.5979 67.1607 -17.5208 66.5926 48.8273 -25.98 -20.0158 -24.8967 -6.07553 TIMING: 2170600 CPU: 6860.05, 0.00319457/step Wall: 6860.05, 0.00319457/step, 2.51075 hours remaining, 237.625000 MB of memory in use. ENERGY: 2170600 3939.0432 20564.6826 14559.1899 228.6379 -203012.8789 2478.4161 0.0000 0.0000 52086.4846 -109156.4245 299.3417 -161242.9092 -108800.0106 299.2957 -99.5129 -76.6514 762326.1687 -2.7031 -2.6154 PRESSURE: 2170800 0.596803 55.2199 3.19017 55.221 164.621 237.866 3.19096 237.866 415.215 GPRESSURE: 2170800 34.8407 91.6258 -3.89634 -23.0487 133.337 299.694 95.459 294.253 473.147 PRESSAVG: 2170800 -39.8343 25.8853 13.2483 25.8854 35.7318 53.7896 13.2483 53.7895 5.51323 GPRESSAVG: 2170800 -39.5336 26.4996 13.3257 24.0819 35.4002 53.5039 16.0937 55.5542 5.00761 TIMING: 2170800 CPU: 6860.69, 0.00320293/step Wall: 6860.69, 0.00320293/step, 2.51715 hours remaining, 237.625000 MB of memory in use. ENERGY: 2170800 3944.1712 20655.9377 14508.7830 249.5206 -203614.9055 2899.1778 0.0000 0.0000 52332.8974 -109024.4178 300.7579 -161357.3152 -108657.7065 299.6006 193.4777 213.7749 760230.9046 0.4702 0.2914 PRESSURE: 2171000 346.394 180.685 193.046 180.685 -8.43848 -317.175 193.046 -317.174 262.934 GPRESSURE: 2171000 332.922 174.584 162.588 115.369 -49.2007 -295.202 35.8531 -360.414 388.958 PRESSAVG: 2171000 -31.6863 33.8491 47.2221 33.8491 27.37 41.3487 47.2221 41.3488 18.0505 GPRESSAVG: 2171000 -32.4566 35.2292 46.0065 35.7637 27.7679 42.6052 45.0447 38.9895 18.2678 TIMING: 2171000 CPU: 6861.33, 0.00321021/step Wall: 6861.33, 0.00321021/step, 2.52269 hours remaining, 237.625000 MB of memory in use. ENERGY: 2171000 3945.9125 20581.6293 14507.9172 219.5659 -203137.1697 2695.1281 0.0000 0.0000 52046.0625 -109140.9542 299.1094 -161187.0167 -108783.3200 299.6705 200.2966 224.2264 759894.4520 4.5781 4.5264 PRESSURE: 2171200 47.6893 81.9715 167.459 81.9713 314.741 109.812 167.458 109.812 -147.36 GPRESSURE: 2171200 -21.6678 123.416 162.488 10.0847 436.892 13.5491 123.463 163.385 -114.963 PRESSAVG: 2171200 43.3642 44.8121 37.1797 44.812 10.364 86.8619 37.1797 86.8618 33.0752 GPRESSAVG: 2171200 43.9307 42.6278 39.0308 44.1101 10.9783 85.0816 37.292 87.2438 32.5247 TIMING: 2171200 CPU: 6861.98, 0.00323272/step Wall: 6861.98, 0.00323272/step, 2.5402 hours remaining, 237.625000 MB of memory in use. ENERGY: 2171200 3945.4461 20682.5100 14503.5451 248.7693 -203405.0463 2681.7810 0.0000 0.0000 52401.9902 -108941.0045 301.1550 -161342.9947 -108565.4188 299.7530 71.6903 100.0873 761123.7549 28.9345 29.1446 PRESSURE: 2171400 -332.176 127.333 -59.487 127.334 -1.50819 -66.7183 -59.4872 -66.7183 35.1479 GPRESSURE: 2171400 -310.694 167.951 -140.675 93.4275 4.23236 61.6109 -117.547 -12.1526 112.455 PRESSAVG: 2171400 -6.44535 36.439 -9.60395 36.4391 17.8921 74.0653 -9.60391 74.0652 -38.9447 GPRESSAVG: 2171400 -5.55645 38.0461 -11.2473 36.3666 17.2403 75.8259 -8.03445 74.885 -38.6197 TIMING: 2171400 CPU: 6862.62, 0.003206/step Wall: 6862.62, 0.003206/step, 2.51902 hours remaining, 237.625000 MB of memory in use. ENERGY: 2171400 4044.9762 20438.2115 14536.2654 249.5768 -202780.6484 2163.3353 0.0000 0.0000 52415.6828 -108932.6004 301.2336 -161348.2831 -108570.0786 300.1885 -99.5123 -64.6689 762025.7711 -9.1660 -8.9786 PRESSURE: 2171600 351.488 -158.843 164.756 -158.843 190.503 -68.9617 164.756 -68.9616 -325.514 GPRESSURE: 2171600 277.648 -103.12 143.47 -206.108 255.75 -47.8368 107.002 -66.8931 -235.229 PRESSAVG: 2171600 5.27787 25.5006 -3.69216 25.5005 -17.9798 64.9854 -3.6922 64.9854 -7.20614 GPRESSAVG: 2171600 4.93805 24.9405 -2.76099 25.4303 -17.7531 63.4479 -4.03667 63.6875 -7.25934 TIMING: 2171600 CPU: 6863.26, 0.00318949/step Wall: 6863.26, 0.00318949/step, 2.50588 hours remaining, 237.613281 MB of memory in use. ENERGY: 2171600 4058.7605 20514.4702 14526.7412 261.4830 -203184.5842 2681.9654 0.0000 0.0000 52116.4658 -109024.6981 299.5140 -161141.1639 -108673.6288 300.2290 72.1592 99.3898 761931.7173 -6.6360 -6.6915 PRESSURE: 2171800 112.982 54.0625 173.125 54.0615 5.14223 -116.544 173.124 -116.543 -112.992 GPRESSURE: 2171800 134.016 28.9667 228.645 62.4264 84.5311 -149.838 140.721 -92.8292 -122.187 PRESSAVG: 2171800 -17.4848 -2.81435 33.7673 -2.8143 -1.1116 10.4773 33.7672 10.4773 -6.87324 GPRESSAVG: 2171800 -19.106 -3.83119 33.5449 -2.81069 0.0409655 11.8551 33.0716 9.73269 -6.07943 TIMING: 2171800 CPU: 6863.9, 0.0031955/step Wall: 6863.9, 0.0031955/step, 2.51042 hours remaining, 237.625000 MB of memory in use. ENERGY: 2171800 4018.5494 20347.2076 14479.6629 249.3209 -203089.3971 2542.3647 0.0000 0.0000 52251.7535 -109200.5381 300.2915 -161452.2917 -108834.2357 299.7944 1.7109 32.1200 762579.5876 -8.4899 -8.3815 PRESSURE: 2172000 300.658 41.6295 14.3579 41.6292 -52.2849 144.294 14.3577 144.294 48.1908 GPRESSURE: 2172000 231.981 66.4004 54.6889 50.9088 34.9436 154.919 -57.6271 102.457 101.938 PRESSAVG: 2172000 3.68659 35.0332 23.7247 35.0332 14.6279 -5.45592 23.7247 -5.45592 18.2872 GPRESSAVG: 2172000 4.40066 34.5957 23.9793 34.9986 15.0803 -7.28381 23.7553 -4.6003 17.0558 TIMING: 2172000 CPU: 6864.54, 0.00321556/step Wall: 6864.54, 0.00321556/step, 2.526 hours remaining, 237.625000 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: 2172000 3936.1042 20630.8630 14477.7075 256.5846 -203762.0864 3132.3071 0.0000 0.0000 52015.5662 -109312.9537 298.9342 -161328.5200 -108949.4908 299.1175 98.8546 122.9541 764546.3923 12.2006 12.1789 PRESSURE: 2172200 -51.9857 119.219 35.2732 119.22 -286.293 84.4489 35.2736 84.4495 129.16 GPRESSURE: 2172200 -60.5202 121.533 -14.9309 142.577 -212.186 178.376 48.873 -70.4651 139.597 PRESSAVG: 2172200 -19.3286 34.2697 21.1832 34.2698 19.2981 18.8192 21.1832 18.8192 16.4809 GPRESSAVG: 2172200 -18.0148 35.4334 22.4985 33.1616 17.6371 20.1383 21.2492 17.9682 16.341 TIMING: 2172200 CPU: 6865.18, 0.00320441/step Wall: 6865.18, 0.00320441/step, 2.51707 hours remaining, 237.625000 MB of memory in use. ENERGY: 2172200 3969.6935 20432.2268 14436.2236 246.9267 -202906.0677 2404.2826 0.0000 0.0000 52043.6359 -109373.0787 299.0955 -161416.7146 -109011.8213 298.9022 -69.7061 -44.3698 762671.2876 5.4835 5.3211 LDB: ============= START OF LOAD BALANCING ============== 6877.72 LDB: ============== END OF LOAD BALANCING =============== 6877.72 LDB: =============== DONE WITH MIGRATION ================ 6877.72 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6878.04 LDB: Largest compute 7031 load 0.031639 is 15.6% of average load 0.202888 LDB: Average compute 0.004472 is 2.2% of average load 0.202888 LDB: TIME 6878.05 LOAD: AVG 0.202888 MAX 0.230748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.395 MB LDB: TIME 6878.05 LOAD: AVG 0.202888 MAX 0.230748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.484 MB LDB: TIME 6878.05 LOAD: AVG 0.202888 MAX 0.22618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.484 MB LDB: ============== END OF LOAD BALANCING =============== 6878.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6878.06 Info: useSync: 0 useProxySync: 0 PRESSURE: 2172400 -341.801 -63.0852 -170.616 -63.0854 27.6284 -7.26637 -170.616 -7.26665 88.1219 GPRESSURE: 2172400 -246.157 -45.8989 -131.822 -10.1223 13.6845 -31.8058 -36.6932 12.6691 113.341 PRESSAVG: 2172400 21.4879 33.1926 8.94332 33.1926 -52.6876 32.951 8.94337 32.951 10.8168 GPRESSAVG: 2172400 20.3987 32.5523 8.94277 35.678 -53.204 32.9956 9.67689 32.716 12.2867 TIMING: 2172400 CPU: 6865.84, 0.00329661/step Wall: 6865.84, 0.00329661/step, 2.58931 hours remaining, 234.335938 MB of memory in use. ENERGY: 2172400 4038.1370 20412.1033 14515.6656 238.0968 -203178.3109 2556.8899 0.0000 0.0000 52061.5175 -109355.9008 299.1983 -161417.4183 -108991.9609 299.0553 -75.3504 -39.7108 762716.0417 -6.7943 -6.8396 PRESSURE: 2172600 -38.4597 46.6744 217.235 46.6745 -35.9143 -137.091 217.235 -137.091 304.245 GPRESSURE: 2172600 -78.8312 93.0516 243.477 -20.5501 50.6641 -56.3302 236.388 -57.924 332.518 PRESSAVG: 2172600 -73.6923 13.3102 18.4048 13.3101 66.6543 35.8174 18.4048 35.8175 -0.363594 GPRESSAVG: 2172600 -73.5569 12.5317 17.0362 9.47207 66.4364 36.0419 17.1838 37.5417 -0.434441 TIMING: 2172600 CPU: 6866.48, 0.00320126/step Wall: 6866.48, 0.00320126/step, 2.51423 hours remaining, 234.335938 MB of memory in use. ENERGY: 2172600 4061.9346 20436.7876 14458.4536 234.2890 -203312.0687 2741.1812 0.0000 0.0000 51824.9418 -109554.4810 297.8387 -161379.4228 -109192.2401 299.3151 76.6236 101.4502 763094.0231 -2.4672 -2.5183 PRESSURE: 2172800 177.331 38.5799 24.6502 38.5795 192.934 79.6038 24.6508 79.6033 -329.992 GPRESSURE: 2172800 91.5259 76.2767 -29.6933 192.096 247.399 0.51435 58.6434 5.39311 -212.411 PRESSAVG: 2172800 15.0754 18.5067 -31.2108 18.5067 -19.1631 47.0467 -31.2108 47.0467 -7.80326 GPRESSAVG: 2172800 14.9265 19.4749 -32.4782 22.2692 -18.8675 46.7959 -29.5448 46.2371 -8.11983 TIMING: 2172800 CPU: 6867.12, 0.00321312/step Wall: 6867.12, 0.00321312/step, 2.52337 hours remaining, 234.335938 MB of memory in use. ENERGY: 2172800 3929.8700 20475.2486 14384.7781 245.5518 -203183.9763 2622.8346 0.0000 0.0000 51939.1078 -109586.5853 298.4948 -161525.6932 -109225.2786 298.3800 13.4241 42.1711 761562.6409 -3.9636 -4.0203 PRESSURE: 2173000 -90.384 233.559 153.817 233.559 11.7354 -25.182 153.817 -25.1817 -436.809 GPRESSURE: 2173000 -101.464 172.093 104.146 353.853 54.6576 -23.2028 144.007 49.9784 -400.209 PRESSAVG: 2173000 -5.23494 19.6266 -12.6242 19.6265 62.3559 18.5733 -12.6241 18.5732 -14.0112 GPRESSAVG: 2173000 -5.39212 18.6006 -10.9149 17.4661 62.6348 18.625 -15.6619 20.4844 -14.4206 TIMING: 2173000 CPU: 6867.76, 0.0032018/step Wall: 6867.76, 0.0032018/step, 2.5143 hours remaining, 234.335938 MB of memory in use. ENERGY: 2173000 3990.3831 20533.3604 14450.0929 229.2623 -203596.7435 2779.2724 0.0000 0.0000 52094.0351 -109520.3373 299.3851 -161614.3724 -109151.9817 298.9687 -171.8191 -149.0052 763912.6509 14.3699 14.2740 PRESSURE: 2173200 52.0389 -48.9215 80.9573 -48.9223 -277.988 50.9701 80.9562 50.9692 -228.947 GPRESSURE: 2173200 11.6545 -74.8223 58.3362 -0.997879 -197.575 -91.6347 69.17 14.9771 -191.942 PRESSAVG: 2173200 16.7287 5.77049 -0.233181 5.77044 -23.2557 -8.3298 -0.233256 -8.32983 2.31757 GPRESSAVG: 2173200 17.2282 6.48733 -0.117603 5.84254 -23.074 -8.97836 1.44453 -10.0312 2.30606 TIMING: 2173200 CPU: 6868.41, 0.00320962/step Wall: 6868.41, 0.00320962/step, 2.52026 hours remaining, 234.335938 MB of memory in use. ENERGY: 2173200 4017.3111 20517.5288 14425.4129 252.1228 -203403.3606 2592.5322 0.0000 0.0000 51875.2564 -109723.1963 298.1278 -161598.4528 -109358.7928 299.1685 -151.6322 -125.9541 761789.4406 -1.4031 -1.1799 PRESSURE: 2173400 -238.372 -23.5771 -83.6727 -23.5767 132.782 -130.507 -83.6723 -130.507 -339.487 GPRESSURE: 2173400 -135.63 -76.725 -61.449 33.707 82.5813 -206.64 -98.6777 17.8046 -321.757 PRESSAVG: 2173400 -6.71918 -16.0228 -18.8235 -16.0227 8.02532 2.40405 -18.8235 2.40401 -8.68509 GPRESSAVG: 2173400 -6.6666 -16.1823 -19.9457 -15.6626 8.44669 2.91127 -17.743 0.553372 -9.57529 TIMING: 2173400 CPU: 6869.05, 0.00320494/step Wall: 6869.05, 0.00320494/step, 2.51641 hours remaining, 234.335938 MB of memory in use. ENERGY: 2173400 3994.9491 20510.5030 14488.4652 233.5885 -203390.8663 2512.1759 0.0000 0.0000 51917.7389 -109733.4458 298.3720 -161651.1846 -109369.5789 298.2981 -148.3589 -124.9351 763766.2690 -2.4596 -2.5984 PRESSURE: 2173600 -128.222 1.09845 -23.6966 1.09813 -243.502 148.138 -23.6962 148.14 -240.207 GPRESSURE: 2173600 -99.7802 39.3309 -7.93853 58.7201 -177.424 207.719 148.064 89.8765 -248.218 PRESSAVG: 2173600 3.16664 -19.7557 -15.2799 -19.7557 2.70951 -6.44681 -15.2799 -6.44673 -13.8443 GPRESSAVG: 2173600 2.76659 -18.3611 -13.8278 -19.599 1.99928 -7.13767 -18.0281 -3.39285 -12.9059 TIMING: 2173600 CPU: 6869.69, 0.00319532/step Wall: 6869.69, 0.00319532/step, 2.50868 hours remaining, 234.335938 MB of memory in use. ENERGY: 2173600 4006.7562 20357.1487 14480.7945 266.3136 -203569.2737 2609.7959 0.0000 0.0000 52100.9511 -109747.5136 299.4249 -161848.4648 -109384.8417 298.7648 -203.9773 -175.1405 761832.6681 -2.6561 -2.7134 PRESSURE: 2173800 52.4255 355.419 -153.056 355.419 258.551 -153.151 -153.056 -153.15 -219.022 GPRESSURE: 2173800 24.8686 269.583 -216.5 261.648 258.699 -127.791 -82.2661 -214.329 -100.833 PRESSAVG: 2173800 -3.06228 -18.985 -5.25355 -18.9849 -30.1621 7.70639 -5.25358 7.70641 -2.05434 GPRESSAVG: 2173800 -3.26513 -21.5907 -5.61877 -19.41 -31.2664 7.73207 -3.81963 6.7289 -0.953251 TIMING: 2173800 CPU: 6870.33, 0.00321119/step Wall: 6870.33, 0.00321119/step, 2.52096 hours remaining, 234.335938 MB of memory in use. ENERGY: 2173800 3977.4486 20398.2196 14460.2800 250.6670 -203535.3100 2619.1206 0.0000 0.0000 51950.3930 -109879.1811 298.5596 -161829.5741 -109520.8913 298.6237 30.6515 60.9116 762048.8537 -11.7596 -11.8283 PRESSURE: 2174000 -532.314 -168.074 -91.3453 -168.074 -102.932 -19.1855 -91.3452 -19.1853 -131.525 GPRESSURE: 2174000 -444.443 -269.216 -62.8754 -172.6 -108.748 -28.418 15.1288 24.4609 -119.751 PRESSAVG: 2174000 -13.2664 -12.7008 -51.9168 -12.7009 31.7088 2.29093 -51.9168 2.2909 12.1238 GPRESSAVG: 2174000 -13.6809 -11.2616 -52.339 -12.6614 33.1575 3.41716 -50.2754 0.446353 10.9997 TIMING: 2174000 CPU: 6870.97, 0.00319417/step Wall: 6870.97, 0.00319417/step, 2.50742 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: 2174000 3938.3300 20339.1769 14494.5573 239.8577 -202782.0823 2169.3912 0.0000 0.0000 51727.7807 -109872.9885 297.2803 -161600.7692 -109513.3336 298.3060 -255.5904 -224.3140 764214.2872 10.1887 10.1588 PRESSURE: 2174200 -142.229 -44.9484 -28.1971 -44.9478 -35.1803 101.565 -28.1964 101.564 -106.16 GPRESSURE: 2174200 -65.1521 -0.801045 -116.919 -57.0925 -28.2653 109.108 -95.0008 178.979 -124.73 PRESSAVG: 2174200 -38.081 15.3612 -36.6917 15.3613 4.3729 43.0137 -36.6917 43.0137 8.95485 GPRESSAVG: 2174200 -37.2089 16.5914 -36.1714 15.861 2.99355 42.1601 -40.2756 46.0056 9.2444 TIMING: 2174200 CPU: 6871.61, 0.00321266/step Wall: 6871.61, 0.00321266/step, 2.52176 hours remaining, 234.539062 MB of memory in use. ENERGY: 2174200 3987.0192 20515.7120 14464.8371 245.3612 -203040.5902 2285.2142 0.0000 0.0000 51749.3118 -109793.1348 297.4040 -161542.4466 -109434.3820 297.6996 -94.5233 -72.7156 762246.0141 -8.2511 -8.3236 PRESSURE: 2174400 378.695 95.1758 162.897 95.1753 73.8541 -323.627 162.897 -323.627 210.097 GPRESSURE: 2174400 367.032 17.5717 66.1429 102.847 137.731 -354.839 275.245 -290.589 263.574 PRESSAVG: 2174400 -21.297 -49.8837 -8.26869 -49.8837 1.16987 0.224132 -8.26863 0.224101 -1.02205 GPRESSAVG: 2174400 -22.473 -51.5937 -8.20153 -49.925 2.67604 -0.575666 -7.90775 -0.223452 -1.02729 TIMING: 2174400 CPU: 6872.25, 0.00319689/step Wall: 6872.25, 0.00319689/step, 2.50921 hours remaining, 234.539062 MB of memory in use. ENERGY: 2174400 3952.7089 20502.9511 14554.7338 247.0461 -203687.3053 3026.0108 0.0000 0.0000 51835.0514 -109568.8031 297.8968 -161403.8545 -109208.4201 298.4940 220.8821 256.1124 762353.6355 -7.0497 -6.9414 PRESSURE: 2174600 -4.49034 -67.7097 -217.477 -67.7089 143.481 -121.41 -217.477 -121.411 -58.7501 GPRESSURE: 2174600 129.166 -157.196 -287.997 62.3782 69.6653 -110.828 -200.316 -18.239 -52.3934 PRESSAVG: 2174600 2.89836 18.2921 -21.9482 18.2921 18.7994 19.9471 -21.9482 19.9472 27.9863 GPRESSAVG: 2174600 3.63121 15.2229 -22.2709 20.4764 19.5104 22.0375 -19.4605 19.6269 26.4518 TIMING: 2174600 CPU: 6872.89, 0.00320065/step Wall: 6872.89, 0.00320065/step, 2.51198 hours remaining, 234.539062 MB of memory in use. ENERGY: 2174600 3976.2305 20463.7131 14523.9403 239.3903 -203379.3980 2610.4840 0.0000 0.0000 52198.0787 -109367.5612 299.9831 -161565.6399 -108995.5579 299.2284 26.7468 48.8126 761806.0428 16.5614 16.5311 PRESSURE: 2174800 66.7677 -108.494 -48.1375 -108.494 -126.067 139.966 -48.1383 139.966 147.45 GPRESSURE: 2174800 138.338 -88.9071 -181.286 -20.736 -103.964 47.2869 -5.54058 80.9099 138.341 PRESSAVG: 2174800 16.3627 1.57763 -36.5729 1.57769 21.0974 8.03402 -36.5729 8.03403 -25.1949 GPRESSAVG: 2174800 17.523 2.41587 -36.9317 1.00955 18.4557 7.70628 -37.013 6.45068 -23.9335 TIMING: 2174800 CPU: 6873.53, 0.00322673/step Wall: 6873.53, 0.00322673/step, 2.53227 hours remaining, 234.539062 MB of memory in use. ENERGY: 2174800 3983.0895 20494.9856 14520.3301 245.8968 -203603.4346 2812.5570 0.0000 0.0000 52115.3624 -109431.2132 299.5077 -161546.5756 -109068.9734 298.9717 29.3835 57.5717 762108.8082 4.0884 4.0151 PRESSURE: 2175000 38.5761 93.0946 57.1573 93.0951 -70.613 190.432 57.157 190.432 -191.845 GPRESSURE: 2175000 13.9198 124.052 36.5311 160.45 -16.5632 93.2129 -45.0184 116.305 -115.351 PRESSAVG: 2175000 -36.0024 2.78007 -13.3452 2.78012 22.37 16.0413 -13.3452 16.0413 5.85644 GPRESSAVG: 2175000 -35.2432 4.37174 -14.215 1.02321 22.2634 16.8605 -14.2794 17.5721 4.98373 TIMING: 2175000 CPU: 6874.18, 0.00320918/step Wall: 6874.18, 0.00320918/step, 2.51832 hours remaining, 234.539062 MB of memory in use. ENERGY: 2175000 3994.6350 20608.9294 14520.2071 248.0104 -203248.2006 2704.5192 0.0000 0.0000 51834.4442 -109337.4554 297.8933 -161171.8996 -108976.6025 299.0975 -74.6272 -39.3315 761646.7744 -2.5920 -2.6654 PRESSURE: 2175200 -165.627 96.221 163.377 96.2216 277.309 94.5176 163.377 94.5177 231.538 GPRESSURE: 2175200 -110.88 157.955 73.7121 103.777 271.019 23.6806 166.718 112.034 271.428 PRESSAVG: 2175200 -15.9577 37.6277 -34.4348 37.6277 31.1792 19.5423 -34.4348 19.5424 -7.36177 GPRESSAVG: 2175200 -17.2527 37.4817 -34.0695 38.4295 32.2378 17.9559 -32.4393 19.0363 -7.61274 TIMING: 2175200 CPU: 6874.82, 0.00324487/step Wall: 6874.82, 0.00324487/step, 2.54614 hours remaining, 234.539062 MB of memory in use. ENERGY: 2175200 3900.7383 20321.2178 14518.4170 242.7091 -203495.3119 2768.0209 0.0000 0.0000 52189.9791 -109554.2298 299.9365 -161744.2089 -109188.3549 298.9318 114.4071 143.8557 762112.0936 2.6199 2.4574 PRESSURE: 2175400 95.0269 143.126 -66.4288 143.126 381.21 -96.5245 -66.4289 -96.5251 731.267 GPRESSURE: 2175400 268.913 116.837 10.4111 132.619 249.593 -79.2719 -100.201 49.9325 769.065 PRESSAVG: 2175400 -58.5395 3.88511 -48.8817 3.88509 48.6859 -23.7238 -48.8816 -23.7239 -4.5541 GPRESSAVG: 2175400 -58.2533 3.86917 -47.8877 3.6241 48.4006 -23.1144 -51.8936 -24.0726 -4.80718 TIMING: 2175400 CPU: 6875.47, 0.00321843/step Wall: 6875.47, 0.00321843/step, 2.52522 hours remaining, 234.539062 MB of memory in use. ENERGY: 2175400 3954.9529 20490.2132 14522.0196 243.6307 -204012.8183 3076.2796 0.0000 0.0000 52061.4298 -109664.2925 299.1978 -161725.7223 -109310.0944 298.9212 402.5013 429.1901 760021.1187 -4.8026 -4.8866 PRESSURE: 2175600 -343.474 114.665 -6.31092 114.665 -106.188 -39.16 -6.31038 -39.1601 -189.775 GPRESSURE: 2175600 -200.416 105.127 -67.7526 108.129 -86.4288 -122.707 -103.837 -21.6262 -280.333 PRESSAVG: 2175600 2.78477 -17.8515 18.214 -17.8515 46.771 5.22095 18.214 5.22096 9.06657 GPRESSAVG: 2175600 3.55102 -18.0518 18.9763 -17.8611 45.2551 4.99639 19.4914 6.77831 9.6197 TIMING: 2175600 CPU: 6876.11, 0.00321154/step Wall: 6876.11, 0.00321154/step, 2.51963 hours remaining, 234.539062 MB of memory in use. ENERGY: 2175600 3999.3384 20454.4614 14516.1959 241.8320 -203517.5511 2497.0150 0.0000 0.0000 52015.3514 -109793.3571 298.9329 -161808.7085 -109434.8223 298.8326 -213.1454 -189.0592 760948.8189 19.5408 19.4753 PRESSURE: 2175800 291.976 -147.159 -164.145 -147.159 109.526 124.381 -164.145 124.382 618.464 GPRESSURE: 2175800 256.612 -80.1022 -175.312 -37.1838 200.787 89.6407 -76.1046 51.9272 618.585 PRESSAVG: 2175800 62.6734 39.2064 -20.7263 39.2065 -60.2973 -30.7245 -20.7262 -30.7245 19.7919 GPRESSAVG: 2175800 62.2856 39.566 -20.2095 37.6161 -59.9908 -30.1945 -20.9247 -31.2314 19.6342 TIMING: 2175800 CPU: 6876.75, 0.00321742/step Wall: 6876.75, 0.00321742/step, 2.52407 hours remaining, 234.539062 MB of memory in use. ENERGY: 2175800 3935.6518 20559.9037 14517.0977 249.7232 -203903.6547 2935.9487 0.0000 0.0000 52037.2548 -109668.0749 299.0588 -161705.3297 -109305.4747 298.5639 339.9886 358.6610 763317.3993 7.3894 7.3097 PRESSURE: 2176000 96.4769 -9.384 269.602 -9.38387 8.22816 45.6311 269.602 45.6302 -568.508 GPRESSURE: 2176000 135.834 -107.223 242.762 7.90522 22.1169 55.6786 260.697 68.8815 -535.918 PRESSAVG: 2176000 -62.2184 -9.44283 18.0262 -9.44288 53.2817 1.08642 18.0262 1.08654 9.15247 GPRESSAVG: 2176000 -62.1917 -9.61551 17.2209 -8.315 51.9832 -0.939235 18.4756 0.550915 10.413 TIMING: 2176000 CPU: 6877.4, 0.00320579/step Wall: 6877.4, 0.00320579/step, 2.51477 hours remaining, 234.539062 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: 2176000 4069.0502 20488.2753 14570.7811 258.2013 -203576.7057 2839.3791 0.0000 0.0000 51724.1386 -109626.8801 297.2593 -161351.0187 -109271.0987 298.9128 -154.6011 -125.9889 764329.5299 0.0719 0.0682 PRESSURE: 2176200 175.299 331.393 -1.94344 331.392 -67.9327 146.846 -1.94307 146.847 -225.713 GPRESSURE: 2176200 261.263 251.479 -2.25124 247.111 -14.661 128.662 -68.7679 33.6206 -286.026 PRESSAVG: 2176200 78.3075 31.4043 20.9687 31.4042 -48.4969 -6.81585 20.9687 -6.81581 5.16531 GPRESSAVG: 2176200 76.7125 31.4303 21.2498 30.2529 -47.0684 -4.20528 20.6007 -7.04801 4.75877 TIMING: 2176200 CPU: 6878.03, 0.00319779/step Wall: 6878.03, 0.00319779/step, 2.50831 hours remaining, 234.539062 MB of memory in use. ENERGY: 2176200 3936.1207 20715.0084 14561.5600 240.1209 -203893.4218 2905.4474 0.0000 0.0000 51932.0916 -109603.0728 298.4544 -161535.1644 -109243.4551 298.4579 -39.4488 -13.1417 761360.0615 11.6586 11.4676 LDB: ============= START OF LOAD BALANCING ============== 6890.57 LDB: ============== END OF LOAD BALANCING =============== 6890.57 LDB: =============== DONE WITH MIGRATION ================ 6890.58 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6890.89 LDB: Largest compute 7076 load 0.029731 is 14.6% of average load 0.203027 LDB: Average compute 0.004465 is 2.2% of average load 0.203027 LDB: TIME 6890.9 LOAD: AVG 0.203027 MAX 0.229425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.871 MB LDB: TIME 6890.9 LOAD: AVG 0.203027 MAX 0.229425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.074 MB LDB: TIME 6890.9 LOAD: AVG 0.203027 MAX 0.226405 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.074 MB LDB: ============== END OF LOAD BALANCING =============== 6890.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6890.91 Info: useSync: 0 useProxySync: 0 PRESSURE: 2176400 -36.9168 30.8292 -50.5864 30.8289 36.1553 -162.716 -50.5865 -162.716 -267.974 GPRESSURE: 2176400 41.6571 -39.9787 -23.1199 30.8014 38.0852 -184.796 -78.8237 -125.233 -261.003 PRESSAVG: 2176400 7.71174 -9.9569 21.0584 -9.95698 -11.2318 -26.9119 21.0584 -26.9119 14.9598 GPRESSAVG: 2176400 7.78074 -11.0805 20.1033 -9.8045 -10.9525 -26.017 21.7973 -26.9187 14.4379 TIMING: 2176400 CPU: 6878.69, 0.00327293/step Wall: 6878.69, 0.00327293/step, 2.56707 hours remaining, 234.644531 MB of memory in use. ENERGY: 2176400 3958.2846 20435.5116 14490.9612 233.4559 -203266.4073 2679.4444 0.0000 0.0000 51760.3055 -109708.4441 297.4672 -161468.7496 -109341.6675 299.2850 -89.5784 -60.4201 762996.6405 3.8132 3.7554 PRESSURE: 2176600 -45.7149 200.601 -154.659 200.601 24.009 123.018 -154.659 123.018 384.632 GPRESSURE: 2176600 52.6118 285.743 -77.4296 41.3649 65.2123 -14.1722 -168.27 158.419 321.268 PRESSAVG: 2176600 -8.26912 7.83479 5.34431 7.83486 2.32361 -14.8468 5.34438 -14.8468 -3.11982 GPRESSAVG: 2176600 -7.50205 9.2514 7.15664 7.66263 2.49699 -16.3547 4.92247 -14.4853 -3.51518 TIMING: 2176600 CPU: 6879.33, 0.00320429/step Wall: 6879.33, 0.00320429/step, 2.51305 hours remaining, 234.902344 MB of memory in use. ENERGY: 2176600 3862.7173 20378.6679 14589.7276 239.3039 -203762.8125 2891.7921 0.0000 0.0000 52019.5597 -109781.0441 298.9571 -161800.6038 -109409.3759 298.5520 120.9752 146.3640 762396.4255 -3.0218 -2.8401 PRESSURE: 2176800 -252.333 108.211 -301.662 108.211 138.863 -7.96065 -301.663 -7.96151 -362.581 GPRESSURE: 2176800 -196.269 10.9502 -302.137 87.5371 160.057 -18.8533 -312.725 0.52275 -355.317 PRESSAVG: 2176800 -5.61458 -11.5454 -28.1441 -11.5454 50.2473 66.0485 -28.1441 66.0485 -14.572 GPRESSAVG: 2176800 -5.90355 -11.8407 -27.7588 -11.0698 49.4865 65.1773 -29.1354 65.9422 -14.1615 TIMING: 2176800 CPU: 6879.97, 0.00320035/step Wall: 6879.97, 0.00320035/step, 2.50979 hours remaining, 234.917969 MB of memory in use. ENERGY: 2176800 4002.5935 20584.8341 14604.4707 259.3247 -203577.3281 2669.5199 0.0000 0.0000 52045.4634 -109411.1220 299.1060 -161456.5853 -109049.9478 298.9493 -158.6838 -130.5098 761894.6921 10.0202 9.8072 PRESSURE: 2177000 192.243 6.02308 81.7312 6.02194 -31.0825 124.709 81.7302 124.71 260.727 GPRESSURE: 2177000 241.428 65.3001 125.537 -91.1963 -14.5873 35.285 57.9511 194.711 263.087 PRESSAVG: 2177000 27.7698 6.93602 -4.05112 6.93597 -28.9843 61.3229 -4.05111 61.3228 0.730656 GPRESSAVG: 2177000 28.3314 5.26039 -5.89482 7.59672 -30.2762 62.0309 -3.01565 61.9253 1.21059 TIMING: 2177000 CPU: 6880.61, 0.00319438/step Wall: 6880.61, 0.00319438/step, 2.50492 hours remaining, 234.917969 MB of memory in use. ENERGY: 2177000 3981.4732 20549.9969 14477.7103 220.2508 -203529.6105 2797.8079 0.0000 0.0000 52203.2598 -109299.1118 300.0129 -161502.3715 -108937.9283 299.6847 140.6293 163.3093 760904.4417 -0.1613 -0.2448 PRESSURE: 2177200 -113.278 96.4206 -30.6423 96.42 187.158 328.162 -30.6417 328.161 454.924 GPRESSURE: 2177200 -15.7686 91.9836 55.1193 64.0762 191.19 347.838 -85.4533 391.671 454.102 PRESSAVG: 2177200 46.1206 -7.67374 -19.0707 -7.67376 -49.8566 53.5213 -19.0708 53.5214 16.0332 GPRESSAVG: 2177200 46.3052 -6.16876 -20.0366 -6.89713 -48.8587 52.7161 -19.1247 51.7241 15.0266 TIMING: 2177200 CPU: 6881.25, 0.0032071/step Wall: 6881.25, 0.0032071/step, 2.51472 hours remaining, 234.917969 MB of memory in use. ENERGY: 2177200 3939.5048 20427.2205 14547.2914 223.6250 -203431.5000 2976.9214 0.0000 0.0000 51917.7583 -109399.1787 298.3721 -161316.9370 -109030.0462 299.0927 176.2681 209.8411 762034.0516 4.0991 4.1577 PRESSURE: 2177400 -268.25 173.433 -7.54119 173.432 -202.127 -132.994 -7.54194 -132.993 -31.8934 GPRESSURE: 2177400 -199.83 59.9715 27.8473 132.505 -162.186 -116.271 16.7529 -61.3419 -63.1471 PRESSAVG: 2177400 -10.9047 -68.9375 34.8309 -68.9375 -59.6634 20.6032 34.8309 20.6032 -23.1177 GPRESSAVG: 2177400 -11.6637 -69.5775 36.5691 -71.2767 -59.3603 22.0368 34.2934 21.6139 -23.1022 TIMING: 2177400 CPU: 6881.89, 0.00319545/step Wall: 6881.89, 0.00319545/step, 2.50541 hours remaining, 234.917969 MB of memory in use. ENERGY: 2177400 4037.5623 20506.1939 14529.1812 240.3830 -203064.4380 2426.1710 0.0000 0.0000 52080.0260 -109244.9206 299.3046 -161324.9465 -108879.6287 299.2248 -167.4234 -141.7211 762700.9963 -31.2286 -31.3754 PRESSURE: 2177600 -308.245 -1.04969 -57.2043 -1.0503 -48.223 157.36 -57.2034 157.361 -173.478 GPRESSURE: 2177600 -132.404 19.6419 71.8079 108.863 -91.825 85.885 -102.019 44.08 -211.645 PRESSAVG: 2177600 35.3406 21.5297 22.5291 21.5298 -17.1877 32.0799 22.529 32.0799 -9.4807 GPRESSAVG: 2177600 35.3968 20.706 23.1326 23.6228 -17.3451 33.8229 23.9261 30.5077 -9.57692 TIMING: 2177600 CPU: 6882.53, 0.00318537/step Wall: 6882.53, 0.00318537/step, 2.49733 hours remaining, 234.917969 MB of memory in use. ENERGY: 2177600 3999.1610 20666.9634 14502.4386 249.0918 -203268.7031 2630.2825 0.0000 0.0000 52021.3132 -109199.4527 298.9672 -161220.7659 -108836.7451 299.4197 -176.6488 -145.2916 760716.2133 2.8907 2.8249 PRESSURE: 2177800 -196.302 38.3509 32.2774 38.3504 -60.2087 126.914 32.2777 126.914 166.466 GPRESSURE: 2177800 -105.539 51.1339 56.133 -46.1296 -77.168 118.186 -111.364 142.646 197.758 PRESSAVG: 2177800 24.1013 5.3313 -20.0746 5.33124 -33.8975 6.01909 -20.0747 6.01904 11.529 GPRESSAVG: 2177800 22.5922 6.99 -20.8384 4.35715 -33.0851 3.23256 -20.612 6.41651 11.7908 TIMING: 2177800 CPU: 6883.17, 0.00322814/step Wall: 6883.17, 0.00322814/step, 2.53068 hours remaining, 234.917969 MB of memory in use. ENERGY: 2177800 4086.4158 20569.6251 14489.9519 254.1247 -203546.2549 2742.7842 0.0000 0.0000 52219.0397 -109184.3134 300.1035 -161403.3532 -108815.2008 299.5383 -30.0148 5.0170 762017.3200 0.5776 0.4327 PRESSURE: 2178000 51.7694 -47.4005 109.699 -47.4012 -17.1704 126.458 109.699 126.458 257.719 GPRESSURE: 2178000 69.4971 -135.625 80.8651 -77.0027 21.4727 165.42 198.464 51.3671 277.912 PRESSAVG: 2178000 -18.4414 10.9875 29.9682 10.9875 -4.12769 45.4932 29.9682 45.4931 -24.4012 GPRESSAVG: 2178000 -19.7306 11.6557 29.1722 11.7803 -3.43903 44.9077 29.8595 45.918 -23.9657 TIMING: 2178000 CPU: 6883.81, 0.0032107/step Wall: 6883.81, 0.0032107/step, 2.51684 hours remaining, 234.917969 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: 2178000 3969.0298 20476.0638 14594.2807 236.4578 -203033.7672 2354.7151 0.0000 0.0000 52042.9541 -109360.2659 299.0916 -161403.2199 -108996.3779 299.3773 97.4393 122.9606 760438.9274 -15.6568 -15.7118 PRESSURE: 2178200 -51.0727 166.895 97.5059 166.894 -35.9133 13.4679 97.506 13.4685 199.464 GPRESSURE: 2178200 -14.7906 133.831 9.22438 122.96 20.3846 83.0209 69.0283 -9.91352 188.024 PRESSAVG: 2178200 -28.6921 6.69134 3.83039 6.69139 -30.0873 23.6615 3.83041 23.6614 17.3809 GPRESSAVG: 2178200 -27.0168 3.47938 4.30766 5.22445 -31.3618 24.2887 2.2305 25.4927 17.0292 TIMING: 2178200 CPU: 6884.46, 0.00321836/step Wall: 6884.46, 0.00321836/step, 2.52266 hours remaining, 234.917969 MB of memory in use. ENERGY: 2178200 3956.2255 20419.8039 14522.2880 237.5854 -202879.9610 2426.1975 0.0000 0.0000 52006.9292 -109310.9316 298.8845 -161317.8608 -108942.8898 298.3659 37.4928 64.5393 761860.9445 -13.7995 -13.7832 PRESSURE: 2178400 47.0077 50.7527 -114.433 50.7525 207.715 -73.6096 -114.431 -73.6108 -74.9821 GPRESSURE: 2178400 80.7439 -87.1282 -141.18 -34.4818 225.506 -101.003 -75.1012 -34.6632 -44.22 PRESSAVG: 2178400 -7.13384 42.1571 -26.1222 42.1571 11.6126 50.8311 -26.1222 50.8311 -5.72089 GPRESSAVG: 2178400 -8.56655 43.7502 -26.1419 43.503 12.6339 52.0732 -21.8344 48.2275 -5.56366 TIMING: 2178400 CPU: 6885.1, 0.00320584/step Wall: 6885.1, 0.00320584/step, 2.51267 hours remaining, 234.906250 MB of memory in use. ENERGY: 2178400 3902.0852 20450.6487 14561.8562 235.1336 -203445.7742 2923.0582 0.0000 0.0000 51881.8988 -109491.0935 298.1660 -161372.9923 -109135.0299 298.8141 59.9135 87.3434 761240.7908 -0.4140 -0.4988 PRESSURE: 2178600 395.822 -141.658 308.443 -141.658 -34.7618 -21.0291 308.443 -21.029 -10.8758 GPRESSURE: 2178600 358.645 -100.589 302.907 -113.372 -40.471 -61.0636 350.278 -33.4071 121.324 PRESSAVG: 2178600 -28.7384 -42.8249 4.66059 -42.8249 28.7721 -29.7479 4.6606 -29.7478 -17.4899 GPRESSAVG: 2178600 -27.2335 -43.6825 4.97441 -43.1905 26.5824 -32.309 0.618446 -26.355 -17.0052 TIMING: 2178600 CPU: 6885.74, 0.00319781/step Wall: 6885.74, 0.00319781/step, 2.50619 hours remaining, 234.917969 MB of memory in use. ENERGY: 2178600 3964.7318 20431.8062 14464.3803 246.3894 -203247.0989 2828.5823 0.0000 0.0000 51984.6886 -109326.5203 298.7567 -161311.2089 -108960.1196 299.2708 116.7280 146.4996 761557.9655 -5.8187 -5.8854 PRESSURE: 2178800 -47.4203 -249.275 8.12517 -249.275 -56.5193 18.0146 8.1248 18.0154 554.67 GPRESSURE: 2178800 -12.8376 -231.976 27.0249 -192.288 -42.74 -7.44986 -8.21227 -29.8894 591.117 PRESSAVG: 2178800 -18.8866 -77.1511 -4.14903 -77.151 14.3755 67.9071 -4.14903 67.9071 23.9672 GPRESSAVG: 2178800 -19.652 -75.7273 -4.74237 -77.2707 14.6966 70.3361 -2.10614 66.2901 24.4149 TIMING: 2178800 CPU: 6886.38, 0.00321141/step Wall: 6886.38, 0.00321141/step, 2.51668 hours remaining, 234.917969 MB of memory in use. ENERGY: 2178800 3923.5299 20383.5043 14503.9910 271.9421 -203359.6345 2618.2717 0.0000 0.0000 52259.9931 -109398.4023 300.3389 -161658.3954 -109026.4496 298.9388 150.2435 178.5131 760232.7226 6.4853 6.4865 PRESSURE: 2179000 191.839 -49.7938 121.427 -49.7936 115.248 -267.648 121.427 -267.648 487.112 GPRESSURE: 2179000 248.899 85.1314 137.228 4.16818 77.9119 -335.088 48.4203 -134.525 538.472 PRESSAVG: 2179000 -49.2268 -8.22092 -19.2615 -8.22091 0.831534 -19.8743 -19.2615 -19.8743 -19.5516 GPRESSAVG: 2179000 -48.3817 -8.92697 -18.3946 -8.12434 0.832332 -18.2266 -21.3115 -19.8788 -19.5677 TIMING: 2179000 CPU: 6887.02, 0.00319462/step Wall: 6887.02, 0.00319462/step, 2.50334 hours remaining, 234.917969 MB of memory in use. ENERGY: 2179000 3872.3831 20629.2780 14517.4993 246.4224 -203674.2225 2679.2956 0.0000 0.0000 52414.7442 -109314.6000 301.2283 -161729.3442 -108958.4202 299.4288 264.7329 288.4276 759722.9823 -22.6490 -22.3724 PRESSURE: 2179200 224.8 -100.238 84.7335 -100.238 97.6163 -92.0793 84.7336 -92.0796 85.658 GPRESSURE: 2179200 177.534 -110.67 132.836 -24.8879 286.178 -127.117 7.9996 -190.021 15.8644 PRESSAVG: 2179200 21.5673 -19.1612 48.7097 -19.1612 -22.0237 46.2596 48.7097 46.2597 0.441809 GPRESSAVG: 2179200 21.5315 -18.8594 48.4086 -18.9302 -21.5903 43.8075 49.9859 47.4848 0.133482 TIMING: 2179200 CPU: 6887.66, 0.00321175/step Wall: 6887.66, 0.00321175/step, 2.51659 hours remaining, 234.917969 MB of memory in use. ENERGY: 2179200 3949.4294 20470.0855 14538.8139 281.7628 -203789.0509 2900.0331 0.0000 0.0000 52258.0651 -109390.8611 300.3278 -161648.9262 -109025.1874 299.0646 136.0246 159.8588 762221.0991 -0.0049 0.0249 PRESSURE: 2179400 -154.521 -115.754 159.008 -115.756 -308.937 310.253 159.008 310.253 24.7317 GPRESSURE: 2179400 -241.728 -181.816 200.021 -89.0801 -196.451 221.627 -2.50385 290.887 61.8472 PRESSAVG: 2179400 -42.806 -16.2357 5.53157 -16.2357 -16.562 56.4807 5.53165 56.4808 -11.6489 GPRESSAVG: 2179400 -42.5741 -15.9203 5.18154 -17.9872 -16.5615 56.6125 5.5746 54.2313 -11.7474 TIMING: 2179400 CPU: 6888.31, 0.00321344/step Wall: 6888.31, 0.00321344/step, 2.51773 hours remaining, 234.917969 MB of memory in use. ENERGY: 2179400 4012.4422 20542.9029 14469.0992 242.5027 -202964.2849 2368.7006 0.0000 0.0000 51969.2775 -109359.3598 298.6682 -161328.6372 -109000.7546 299.1656 -146.2422 -125.4442 762394.5262 -23.6723 -23.6277 PRESSURE: 2179600 -279.868 -45.538 -115.541 -45.5383 -162.782 99.7496 -115.542 99.7492 -398.325 GPRESSURE: 2179600 -219.97 79.5077 -55.5385 82.4155 -109.188 167.897 -92.5411 18.3186 -431.677 PRESSAVG: 2179600 -32.0975 -19.4915 -23.1464 -19.4915 75.2685 20.4215 -23.1465 20.4215 -20.9681 GPRESSAVG: 2179600 -30.6986 -19.6068 -21.6467 -18.4224 73.5771 20.9528 -21.4556 22.474 -20.8347 TIMING: 2179600 CPU: 6888.95, 0.00320562/step Wall: 6888.95, 0.00320562/step, 2.51143 hours remaining, 234.917969 MB of memory in use. ENERGY: 2179600 4060.2338 20664.0497 14501.9298 244.7549 -202911.2836 2490.7556 0.0000 0.0000 51686.4884 -109263.0713 297.0430 -160949.5597 -108894.0785 298.9444 -280.3250 -253.6118 762725.1320 7.4010 7.3479 PRESSURE: 2179800 109.101 70.6331 132.133 70.6337 54.013 103.601 132.133 103.6 -47.5761 GPRESSURE: 2179800 82.0945 78.1807 105.742 51.0614 137.686 48.6966 20.4361 213.422 -33.6447 PRESSAVG: 2179800 -21.6881 -51.6824 16.7095 -51.6824 15.1158 34.716 16.7095 34.7161 10.8408 GPRESSAVG: 2179800 -23.0302 -50.991 14.7048 -52.6901 16.1285 34.2397 14.497 35.0039 10.873 TIMING: 2179800 CPU: 6889.59, 0.00319485/step Wall: 6889.59, 0.00319485/step, 2.50281 hours remaining, 234.917969 MB of memory in use. ENERGY: 2179800 4029.2642 20509.0445 14561.5513 257.5668 -204173.0668 3097.0184 0.0000 0.0000 52391.8294 -109326.7922 301.0966 -161718.6216 -108957.1024 299.3952 38.5127 62.0453 759873.0256 1.4228 1.3238 PRESSURE: 2180000 -11.7548 40.2121 112.99 40.2123 -275.937 166.013 112.989 166.013 -0.726738 GPRESSURE: 2180000 18.8823 -43.1971 71.3399 41.6307 -270.485 268.507 192.033 -79.22 37.5488 PRESSAVG: 2180000 -61.2167 -61.06 3.46946 -61.06 59.3554 64.2094 3.46953 64.2094 13.9762 GPRESSAVG: 2180000 -59.9954 -61.695 5.41262 -60.2877 59.2514 64.3263 3.8473 62.836 12.9458 TIMING: 2180000 CPU: 6890.23, 0.00320704/step Wall: 6890.23, 0.00320704/step, 2.51218 hours remaining, 234.917969 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: 2180000 4031.3048 20589.1115 14581.2112 266.6505 -203412.9634 2773.8228 0.0000 0.0000 51891.1863 -109279.6762 298.2194 -161170.8625 -108917.5797 299.7340 -96.1394 -71.3514 761141.7385 4.0383 4.0673 PRESSURE: 2180200 308.37 -300.19 89.8566 -300.19 225.696 -79.7822 89.8567 -79.7823 564.026 GPRESSURE: 2180200 351.431 -317.181 77.0932 -386.669 268.756 -80.0981 92.2795 143.981 550.138 PRESSAVG: 2180200 -28.9016 -2.90727 -36.7151 -2.90727 48.2683 57.2292 -36.7151 57.2292 -4.17207 GPRESSAVG: 2180200 -29.9363 -3.53703 -40.3645 -1.13008 48.7835 57.8024 -35.6361 56.0412 -3.49246 TIMING: 2180200 CPU: 6890.87, 0.00320086/step Wall: 6890.87, 0.00320086/step, 2.50716 hours remaining, 234.917969 MB of memory in use. ENERGY: 2180200 3909.0288 20754.8920 14574.6688 224.2163 -203718.2448 2903.0674 0.0000 0.0000 52347.4945 -109004.8772 300.8418 -161352.3716 -108642.4379 299.8018 366.0307 390.1083 760144.1580 5.0649 5.1182 LDB: ============= START OF LOAD BALANCING ============== 6903.4 LDB: ============== END OF LOAD BALANCING =============== 6903.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6903.4 LDB: ============= START OF LOAD BALANCING ============== 6903.72 LDB: Largest compute 7031 load 0.030801 is 15.2% of average load 0.202772 LDB: Average compute 0.004455 is 2.2% of average load 0.202772 LDB: TIME 6903.73 LOAD: AVG 0.202772 MAX 0.227398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 6903.73 LOAD: AVG 0.202772 MAX 0.227398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 6903.73 LOAD: AVG 0.202772 MAX 0.225859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 6903.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6903.73 Info: useSync: 0 useProxySync: 0 PRESSURE: 2180400 -210.137 125.575 -359.178 125.574 177.709 33.6083 -359.178 33.608 230.346 GPRESSURE: 2180400 -117.8 -11.1081 -281.159 140.848 158.752 -38.5631 -203.771 68.9587 257.989 PRESSAVG: 2180400 20.0818 -42.8938 -32.9064 -42.8938 9.87494 7.52547 -32.9064 7.52561 -20.5797 GPRESSAVG: 2180400 20.7844 -42.9294 -29.7539 -43.3511 9.68832 6.87617 -33.0909 8.63347 -21.0501 TIMING: 2180400 CPU: 6891.52, 0.00325815/step Wall: 6891.52, 0.00325815/step, 2.55186 hours remaining, 235.156250 MB of memory in use. ENERGY: 2180400 3945.2113 20620.7911 14485.4417 238.8981 -203075.7154 2603.0920 0.0000 0.0000 52167.5104 -109014.7708 299.8074 -161182.2813 -108634.9233 300.3171 65.9724 99.6471 761857.9646 3.1257 3.1409 PRESSURE: 2180600 -132.26 -55.9388 27.6491 -55.9389 -34.9717 1.77232 27.6497 1.7726 220.745 GPRESSURE: 2180600 74.3753 -129.375 71.5187 -185.477 -39.4592 52.9182 21.3757 -120.354 109.297 PRESSAVG: 2180600 20.4509 -30.3374 -6.38607 -30.3374 -31.2042 -54.3086 -6.38604 -54.3086 1.11041 GPRESSAVG: 2180600 20.9671 -30.0033 -7.03289 -31.0515 -30.5781 -54.7689 -7.03718 -52.9192 0.32824 TIMING: 2180600 CPU: 6892.16, 0.00319129/step Wall: 6892.16, 0.00319129/step, 2.49932 hours remaining, 235.687500 MB of memory in use. ENERGY: 2180600 4035.0771 20587.8912 14585.1028 242.9823 -203782.1802 2901.8291 0.0000 0.0000 52300.2472 -109129.0505 300.5702 -161429.2977 -108754.9656 300.0660 17.8379 48.0711 760483.2684 -3.2143 -3.0943 PRESSURE: 2180800 105.043 -83.1504 139.258 -83.1498 -41.425 -107.686 139.258 -107.685 46.6397 GPRESSURE: 2180800 169.735 -99.957 132.186 -37.7002 -78.1667 -197.98 143.963 -159.973 86.9142 PRESSAVG: 2180800 0.5184 -25.337 -20.1897 -25.337 -1.24128 -11.7099 -20.1898 -11.7099 14.2382 GPRESSAVG: 2180800 -0.693988 -22.7641 -20.6339 -25.6395 -1.23555 -11.5606 -19.7957 -12.0041 15.7426 TIMING: 2180800 CPU: 6892.8, 0.00320881/step Wall: 6892.8, 0.00320881/step, 2.51286 hours remaining, 235.687500 MB of memory in use. ENERGY: 2180800 4006.9521 20508.3636 14510.5835 249.1698 -203370.5006 2515.5581 0.0000 0.0000 51962.0592 -109617.8142 298.6267 -161579.8734 -109246.5513 299.5225 36.7526 59.4940 760495.5834 4.5051 4.6044 PRESSURE: 2181000 -92.3816 39.2238 91.8869 39.223 45.9973 158.559 91.8871 158.559 272.774 GPRESSURE: 2181000 -65.0772 9.24964 50.3564 -55.4235 69.3338 136.024 -48.1488 9.6768 300.476 PRESSAVG: 2181000 -27.2411 1.87115 -0.872206 1.87113 15.366 -7.43326 -0.872173 -7.4333 -0.397313 GPRESSAVG: 2181000 -28.0156 -1.20257 1.03638 3.00541 15.5277 -7.51621 -3.44957 -8.30381 0.208071 TIMING: 2181000 CPU: 6893.44, 0.00320485/step Wall: 6893.44, 0.00320485/step, 2.50958 hours remaining, 235.687500 MB of memory in use. ENERGY: 2181000 3993.9298 20539.9952 14548.7257 258.2925 -203262.2850 2525.6911 0.0000 0.0000 51874.5399 -109521.1106 298.1237 -161395.6506 -109161.6263 298.4910 75.4632 101.5776 762134.3289 -4.0908 -4.0933 PRESSURE: 2181200 -259.495 13.0035 -1.26278 13.0043 309.211 240.694 -1.26288 240.692 47.1149 GPRESSURE: 2181200 -177.709 3.99735 10.7003 65.9611 247.696 221.548 105.167 134.829 130.282 PRESSAVG: 2181200 -6.06972 8.97802 -39.1457 8.97804 39.7182 21.2665 -39.1457 21.2665 2.42811 GPRESSAVG: 2181200 -5.56218 10.1063 -42.1574 6.58045 38.635 21.1105 -38.0439 22.7031 3.16882 TIMING: 2181200 CPU: 6894.08, 0.00319818/step Wall: 6894.08, 0.00319818/step, 2.50417 hours remaining, 235.687500 MB of memory in use. ENERGY: 2181200 3992.4462 20458.2373 14504.2145 241.1362 -203201.8135 2419.8337 0.0000 0.0000 51920.6386 -109665.3071 298.3886 -161585.9457 -109297.8360 298.6824 32.2771 66.7563 761082.2089 12.0255 12.0805 PRESSURE: 2181400 -87.9475 -33.0597 165.459 -33.0601 -266.805 45.1562 165.46 45.156 -488.721 GPRESSURE: 2181400 -43.2277 -84.4987 179.646 -3.72321 -189.59 13.8725 63.5829 64.6749 -508.947 PRESSAVG: 2181400 12.2726 17.2629 -4.71606 17.2629 -30.6296 13.9607 -4.71606 13.9606 18.3393 GPRESSAVG: 2181400 13.6058 15.0199 -2.17774 18.0028 -30.1087 14.7248 -5.85341 13.626 16.4437 TIMING: 2181400 CPU: 6894.72, 0.00321265/step Wall: 6894.72, 0.00321265/step, 2.51532 hours remaining, 235.687500 MB of memory in use. ENERGY: 2181400 4017.0633 20501.3933 14537.0361 248.6681 -203522.0799 2671.5588 0.0000 0.0000 51885.6035 -109660.7569 298.1873 -161546.3604 -109294.5201 298.2702 -281.1578 -247.2549 762001.3452 -0.0059 -0.0198 PRESSURE: 2181600 -286.805 -150.314 -226.895 -150.313 -174.893 79.4021 -226.895 79.4027 22.9932 GPRESSURE: 2181600 -234.41 -227.161 -235.493 -148.737 -137.998 100.253 -211.617 51.4171 30.1715 PRESSAVG: 2181600 -36.6251 -15.066 -40.3952 -15.066 62.8968 16.5286 -40.3953 16.5287 7.3488 GPRESSAVG: 2181600 -36.3805 -12.6543 -40.6045 -13.9901 61.9651 15.6806 -38.1812 15.0122 8.5511 TIMING: 2181600 CPU: 6895.36, 0.00321021/step Wall: 6895.36, 0.00321021/step, 2.51324 hours remaining, 235.687500 MB of memory in use. ENERGY: 2181600 4096.1997 20409.6219 14553.3397 245.3682 -203508.7979 2495.5051 0.0000 0.0000 52039.4181 -109669.3452 299.0713 -161708.7633 -109313.9924 298.9415 -146.2352 -114.0786 762820.3024 11.2068 11.3786 PRESSURE: 2181800 142.709 83.5934 -48.4185 83.5945 188.744 -87.8056 -48.419 -87.8057 -39.3543 GPRESSURE: 2181800 138.044 20.92 -81.5552 194.502 314.091 -117.386 13.55 -12.3873 -78.6286 PRESSAVG: 2181800 -39.5953 -20.5167 -53.128 -20.5167 43.5159 -44.404 -53.1279 -44.404 5.12698 GPRESSAVG: 2181800 -39.4528 -20.3536 -53.5497 -21.8917 45.0221 -45.1072 -51.8451 -41.4904 3.32973 TIMING: 2181800 CPU: 6896, 0.0031849/step Wall: 6896, 0.0031849/step, 2.49324 hours remaining, 235.687500 MB of memory in use. ENERGY: 2181800 3976.2732 20369.2352 14595.3172 241.7327 -203576.0339 2696.1852 0.0000 0.0000 52039.0604 -109658.2301 299.0692 -161697.2905 -109290.0330 298.8612 97.3661 124.5022 759063.8470 3.0158 2.9663 PRESSURE: 2182000 -111.424 58.136 149.598 58.1352 -19.5807 -17.8811 149.599 -17.8811 125.146 GPRESSURE: 2182000 -77.1603 46.5278 166.813 30.1388 35.7567 -86.1172 88.5092 71.6187 133.883 PRESSAVG: 2182000 -66.661 13.9055 -37.3649 13.9055 22.2038 -4.83896 -37.3649 -4.83889 -0.425879 GPRESSAVG: 2182000 -67.9705 14.5231 -37.4244 16.192 22.3479 -5.24557 -37.551 -5.56988 0.65618 TIMING: 2182000 CPU: 6896.64, 0.00319744/step Wall: 6896.64, 0.00319744/step, 2.50288 hours remaining, 235.687500 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: 2182000 4057.3988 20569.5849 14528.0426 259.3690 -203802.8596 2693.4701 0.0000 0.0000 52107.9244 -109587.0697 299.4650 -161694.9942 -109212.3825 298.4823 -1.9526 30.8266 761446.3310 -14.9610 -14.9888 PRESSURE: 2182200 -34.75 25.9885 82.8762 25.9881 -269.534 -6.35276 82.8755 -6.35254 -400.068 GPRESSURE: 2182200 -54.0172 -38.9813 29.6722 44.9945 -177.475 -6.80477 -57.0175 31.2195 -392.475 PRESSAVG: 2182200 -6.26428 -24.9904 14.7243 -24.9904 38.1931 -2.03524 14.7243 -2.03532 9.15678 GPRESSAVG: 2182200 -6.84767 -25.1659 15.5521 -27.5533 38.8773 0.773193 13.5837 -4.2347 8.75697 TIMING: 2182200 CPU: 6897.28, 0.00319408/step Wall: 6897.28, 0.00319408/step, 2.50008 hours remaining, 235.687500 MB of memory in use. ENERGY: 2182200 4045.4025 20644.0469 14505.6894 243.7197 -203246.6172 2382.6873 0.0000 0.0000 52044.0454 -109381.0259 299.0978 -161425.0713 -109024.2004 299.0419 -234.7841 -207.9889 761560.2150 13.6952 13.5955 PRESSURE: 2182400 -139.502 -64.1928 -2.58706 -64.193 -518.683 187.505 -2.58649 187.505 242.466 GPRESSURE: 2182400 -133.694 -108.816 -8.97974 -22.0489 -439.319 147.398 -8.19074 70.5889 244.174 PRESSAVG: 2182400 -26.8638 22.9744 11.0706 22.9745 31.9546 -23.8816 11.0707 -23.8816 12.9106 GPRESSAVG: 2182400 -27.4351 23.5994 10.2179 24.4455 31.2081 -25.3285 9.49429 -22.6361 13.9736 TIMING: 2182400 CPU: 6897.92, 0.00318577/step Wall: 6897.92, 0.00318577/step, 2.4934 hours remaining, 235.687500 MB of memory in use. ENERGY: 2182400 4002.1235 20480.8274 14486.2906 247.8413 -203667.8096 2763.8577 0.0000 0.0000 52200.7553 -109486.1137 299.9985 -161686.8690 -109134.1421 298.8138 -138.5730 -109.6131 762743.7351 6.0005 5.9155 PRESSURE: 2182600 -9.17686 110.173 18.363 110.173 -274.236 -70.5095 18.3633 -70.5094 -35.3335 GPRESSURE: 2182600 -4.12013 156.6 -4.19653 50.8339 -219.271 -226.815 103.169 42.6004 -28.6606 PRESSAVG: 2182600 -44.2312 20.0373 -12.967 20.0373 4.21338 -38.1143 -12.967 -38.1143 -5.94548 GPRESSAVG: 2182600 -43.0621 20.0061 -13.5293 18.0453 4.634 -38.3792 -12.0588 -38.8449 -7.09718 TIMING: 2182600 CPU: 6898.56, 0.00319535/step Wall: 6898.56, 0.00319535/step, 2.50071 hours remaining, 235.687500 MB of memory in use. ENERGY: 2182600 3978.2975 20422.2942 14456.8390 235.9576 -203700.1741 2844.9231 0.0000 0.0000 52309.3131 -109452.5496 300.6223 -161761.8627 -109084.9059 299.3827 -106.2487 -84.0172 760623.0287 -15.3211 -15.1751 PRESSURE: 2182800 -55.4736 -69.8321 -60.0871 -69.8319 13.9549 10.0797 -60.0876 10.0785 -305.379 GPRESSURE: 2182800 -48.3286 -98.2278 -30.6986 -127.362 69.1163 46.9633 -88.4299 -64.624 -278.257 PRESSAVG: 2182800 19.5657 81.0398 -46.8602 81.0398 12.4161 -31.9309 -46.8603 -31.931 5.01841 GPRESSAVG: 2182800 19.1273 80.0724 -46.4637 82.2498 12.9911 -31.9136 -46.7396 -33.269 4.39151 TIMING: 2182800 CPU: 6899.19, 0.00319074/step Wall: 6899.19, 0.00319074/step, 2.49693 hours remaining, 235.687500 MB of memory in use. ENERGY: 2182800 4000.9265 20471.3547 14462.2575 248.6336 -203398.6439 2587.0828 0.0000 0.0000 52174.7720 -109453.6167 299.8491 -161628.3887 -109086.8276 299.3238 -115.6327 -85.8232 761548.3482 12.3334 12.1700 PRESSURE: 2183000 62.7175 -95.6009 225.212 -95.5999 -21.0454 -100.135 225.212 -100.135 58.9142 GPRESSURE: 2183000 20.9674 -55.1602 233.803 3.54191 52.0013 -59.9462 264.134 -180.532 113.871 PRESSAVG: 2183000 -18.6068 14.9419 -12.5603 14.9419 -14.3486 -35.0937 -12.5603 -35.0936 51.7186 GPRESSAVG: 2183000 -18.7026 14.4524 -12.8885 14.9171 -14.7384 -35.3718 -12.3698 -34.5697 52.2433 TIMING: 2183000 CPU: 6899.83, 0.00318946/step Wall: 6899.83, 0.00318946/step, 2.49575 hours remaining, 235.687500 MB of memory in use. ENERGY: 2183000 3923.8081 20590.7984 14434.4829 246.2314 -202906.2975 2344.7898 0.0000 0.0000 51934.0511 -109432.1359 298.4657 -161366.1870 -109073.9351 298.9829 33.5288 62.2799 763814.0225 6.2544 6.2674 PRESSURE: 2183200 -194.642 267.872 -255.472 267.871 -78.9271 -125.734 -255.472 -125.734 -192.426 GPRESSURE: 2183200 -146.819 169.961 -231.253 217.376 -87.4249 -92.7714 -223.036 -223.147 -154.219 PRESSAVG: 2183200 -34.9979 -34.5601 6.13014 -34.5602 4.49462 -57.2826 6.13014 -57.2827 -22.9266 GPRESSAVG: 2183200 -32.8946 -34.5318 5.19522 -34.4547 3.92118 -56.5948 7.37828 -56.6728 -23.9178 TIMING: 2183200 CPU: 6900.47, 0.00319178/step Wall: 6900.47, 0.00319178/step, 2.49739 hours remaining, 235.687500 MB of memory in use. ENERGY: 2183200 3993.8533 20645.0963 14584.6733 247.7941 -203463.3684 2628.7790 0.0000 0.0000 51907.0364 -109456.1360 298.3105 -161363.1724 -109096.0001 298.9092 -155.3317 -129.4877 762011.2368 -17.8100 -17.6304 PRESSURE: 2183400 -88.7687 -129.348 19.6296 -129.349 57.4092 -52.8723 19.6297 -52.8723 -309.985 GPRESSURE: 2183400 -110.311 -132.156 -6.82237 -124.494 53.903 46.1933 -60.5799 73.2641 -218.031 PRESSAVG: 2183400 -13.4356 -42.247 -66.0086 -42.2471 5.48631 21.8113 -66.0086 21.8113 12.8558 GPRESSAVG: 2183400 -15.6931 -42.1264 -64.8265 -41.6775 6.16873 21.9005 -66.7485 21.4833 13.6367 TIMING: 2183400 CPU: 6901.11, 0.00319485/step Wall: 6901.11, 0.00319485/step, 2.49961 hours remaining, 235.687500 MB of memory in use. ENERGY: 2183400 4055.9377 20332.5135 14581.2234 260.9954 -203624.3758 2731.8492 0.0000 0.0000 52108.5211 -109553.3354 299.4684 -161661.8566 -109189.2060 298.5162 -113.7815 -91.4797 761450.0884 1.6355 1.3708 PRESSURE: 2183600 -313.473 57.732 -46.3031 57.7325 206.702 76.3384 -46.3034 76.3382 -230.339 GPRESSURE: 2183600 -238.938 98.385 -35.8888 27.4433 140.913 103.873 18.1491 46.9273 -179.015 PRESSAVG: 2183600 -24.5314 25.6213 -10.8611 25.6213 37.6164 36.7416 -10.8611 36.7416 -5.6836 GPRESSAVG: 2183600 -25.4277 26.1161 -10.8667 25.5603 37.3671 35.7377 -12.1617 38.786 -5.08722 TIMING: 2183600 CPU: 6901.75, 0.00322263/step Wall: 6901.75, 0.00322263/step, 2.52117 hours remaining, 235.687500 MB of memory in use. ENERGY: 2183600 3996.3816 20614.8112 14494.7857 231.8227 -202935.9207 2348.7654 0.0000 0.0000 51649.5132 -109599.8408 296.8305 -161249.3540 -109239.6024 298.7276 -112.3698 -92.3467 761530.7243 2.4671 2.2841 PRESSURE: 2183800 87.0953 -60.1558 31.249 -60.1557 449.081 -174.086 31.2488 -174.086 173.698 GPRESSURE: 2183800 161.088 -25.4804 -73.8355 33.2076 482.774 -132.94 64.5061 -138.018 149.415 PRESSAVG: 2183800 -44.0967 -14.9412 11.0217 -14.9412 68.5339 6.24596 11.0216 6.24589 -14.7341 GPRESSAVG: 2183800 -43.5767 -15.4219 10.3724 -13.7061 69.5517 7.43229 12.0396 3.04951 -15.2973 TIMING: 2183800 CPU: 6902.39, 0.00319058/step Wall: 6902.39, 0.00319058/step, 2.49592 hours remaining, 235.687500 MB of memory in use. ENERGY: 2183800 3969.5215 20416.0521 14513.4533 248.5014 -203384.9561 2796.4592 0.0000 0.0000 51793.2726 -109647.6960 297.6566 -161440.9686 -109296.3382 298.1306 236.6246 264.4260 761044.1774 3.2344 3.5592 PRESSURE: 2184000 10.0051 157.548 -122.457 157.548 -133.64 -38.0058 -122.457 -38.0074 -2.17332 GPRESSURE: 2184000 -8.62806 -2.55739 -139.312 -69.0963 -17.4714 -121.217 -169.547 -8.72881 -10.6582 PRESSAVG: 2184000 -87.1507 -7.20824 -36.3947 -7.20814 69.1794 21.0564 -36.3947 21.0564 -23.5063 GPRESSAVG: 2184000 -86.4649 -7.80662 -35.6183 -7.53243 68.1283 20.5176 -36.4774 22.1245 -23.6506 TIMING: 2184000 CPU: 6903.03, 0.00320061/step Wall: 6903.03, 0.00320061/step, 2.50359 hours remaining, 235.687500 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: 2184000 3994.5775 20450.7764 14459.3408 238.3249 -203416.6743 2685.1596 0.0000 0.0000 51984.4741 -109604.0210 298.7555 -161588.4951 -109239.4060 298.3668 -41.9362 -12.2526 761220.9279 -13.8259 -13.9958 PRESSURE: 2184200 -411.381 40.8721 -40.4992 40.8726 -381.833 -9.47326 -40.4996 -9.47409 -66.6659 GPRESSURE: 2184200 -253.412 33.763 -40.337 77.0758 -408.674 -56.3215 -8.32049 -116.898 -104.716 PRESSAVG: 2184200 -18.8573 -10.5828 0.392897 -10.5828 5.0669 -59.9024 0.392898 -59.9024 -20.2697 GPRESSAVG: 2184200 -19.8718 -11.6089 0.553186 -11.1715 5.85123 -61.7077 0.11665 -57.9662 -19.5315 TIMING: 2184200 CPU: 6903.67, 0.00318931/step Wall: 6903.67, 0.00318931/step, 2.49457 hours remaining, 235.687500 MB of memory in use. ENERGY: 2184200 4044.6610 20465.9338 14476.7696 228.2164 -203275.7283 2563.1341 0.0000 0.0000 51851.6408 -109645.3726 297.9921 -161497.0134 -109290.0612 298.6702 -286.6265 -255.6008 760956.2384 -11.3533 -11.1840 LDB: ============= START OF LOAD BALANCING ============== 6916.2 LDB: ============== END OF LOAD BALANCING =============== 6916.2 LDB: =============== DONE WITH MIGRATION ================ 6916.21 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 6916.52 LDB: Largest compute 7026 load 0.028969 is 14.4% of average load 0.201723 LDB: Average compute 0.004431 is 2.2% of average load 0.201723 LDB: TIME 6916.53 LOAD: AVG 0.201723 MAX 0.227209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.051 MB LDB: TIME 6916.53 LOAD: AVG 0.201723 MAX 0.227209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.051 MB LDB: TIME 6916.53 LOAD: AVG 0.201723 MAX 0.225125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.051 MB LDB: ============== END OF LOAD BALANCING =============== 6916.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6916.53 Info: useSync: 0 useProxySync: 0 PRESSURE: 2184400 80.6969 -163.91 -43.3433 -163.91 -276.004 166.139 -43.3428 166.139 -444.545 GPRESSURE: 2184400 71.447 -173.559 -16.8517 -244.336 -267.006 121.238 -32.6866 9.79111 -374.275 PRESSAVG: 2184400 -62.5492 -33.572 56.3929 -33.5721 31.9706 -23.9862 56.3928 -23.9863 -4.22987 GPRESSAVG: 2184400 -62.2368 -31.8055 56.3966 -35.6132 31.3917 -22.2652 56.5259 -25.1589 -4.24735 TIMING: 2184400 CPU: 6904.32, 0.00324567/step Wall: 6904.32, 0.00324567/step, 2.53848 hours remaining, 236.164062 MB of memory in use. ENERGY: 2184400 4018.4622 20689.2661 14508.0014 246.8225 -203471.0429 2676.7992 0.0000 0.0000 51987.7937 -109343.8980 298.7746 -161331.6917 -108987.3335 299.2625 -213.2840 -189.9448 760873.4445 -11.6028 -11.6975 PRESSURE: 2184600 -339.195 -196.099 96.124 -196.098 6.80424 121.608 96.1239 121.608 201.847 GPRESSURE: 2184600 -184.916 -166.883 143.624 -232.09 -45.9358 74.3355 -59.4655 104.67 195.866 PRESSAVG: 2184600 12.1835 -5.31677 -2.94757 -5.3167 42.9614 40.5977 -2.94757 40.5977 -1.07112 GPRESSAVG: 2184600 12.4821 -5.22234 -3.62326 -4.30993 42.9019 40.5615 -2.8566 37.5745 -0.70423 TIMING: 2184600 CPU: 6904.95, 0.00317738/step Wall: 6904.95, 0.00317738/step, 2.48489 hours remaining, 236.425781 MB of memory in use. ENERGY: 2184600 4003.2568 20433.1544 14517.1063 250.1383 -203023.6012 2250.7554 0.0000 0.0000 52123.3520 -109445.8380 299.5536 -161569.1900 -109082.1120 299.4124 -43.5143 -11.6617 761208.2851 18.0246 18.2266 PRESSURE: 2184800 13.7446 99.031 25.9594 99.0304 -238.534 -195.63 25.9582 -195.63 -35.1648 GPRESSURE: 2184800 92.9587 86.1639 7.49614 81.9517 -246.062 -306.457 -65.892 -56.2611 -40.3748 PRESSAVG: 2184800 -58.0354 -11.9228 15.5473 -11.9229 32.6678 36.5562 15.5473 36.5562 28.1315 GPRESSAVG: 2184800 -56.8188 -13.0926 15.9746 -11.7067 31.9092 37.288 15.1361 42.0122 28.0415 TIMING: 2184800 CPU: 6905.59, 0.00317966/step Wall: 6905.59, 0.00317966/step, 2.48649 hours remaining, 236.425781 MB of memory in use. ENERGY: 2184800 4011.7836 20592.0532 14525.2065 244.2087 -203358.2195 2513.4382 0.0000 0.0000 52193.8259 -109277.7034 299.9586 -161471.5293 -108905.0847 300.0060 -86.6515 -64.4928 760992.9862 0.9213 1.0440 PRESSURE: 2185000 67.8903 233.841 114.648 233.841 232.7 -11.2833 114.648 -11.2829 203.021 GPRESSURE: 2185000 37.9138 148.684 55.1317 247.846 352.514 -15.2967 104.972 -53.1864 203.091 PRESSAVG: 2185000 -26.4592 -0.942558 -26.0595 -0.942499 45.1242 -32.0285 -26.0595 -32.0285 -22.103 GPRESSAVG: 2185000 -27.4292 -1.20382 -27.0288 -0.105753 46.5232 -34.556 -27.3885 -33.4403 -22.6085 TIMING: 2185000 CPU: 6906.23, 0.00318729/step Wall: 6906.23, 0.00318729/step, 2.49229 hours remaining, 236.492188 MB of memory in use. ENERGY: 2185000 4111.2306 20361.7655 14446.2987 248.5565 -203780.5761 3051.8309 0.0000 0.0000 52420.1358 -109140.7582 301.2592 -161560.8939 -108773.3009 299.9427 167.8706 197.8397 760888.5484 -1.1460 -1.1715 PRESSURE: 2185200 -9.89341 47.4413 -170.041 47.4412 -237.885 54.8246 -170.04 54.8245 -255.225 GPRESSURE: 2185200 31.0631 -72.2779 -153.9 131.956 -203.046 195.717 67.6989 -5.7097 -231.894 PRESSAVG: 2185200 17.8026 23.6164 17.2048 23.6164 -21.4048 17.1883 17.2048 17.1884 -0.297414 GPRESSAVG: 2185200 17.4009 24.1585 17.2354 25.1948 -21.3501 19.5524 19.8221 15.404 0.038554 TIMING: 2185200 CPU: 6906.86, 0.00315905/step Wall: 6906.86, 0.00315905/step, 2.47002 hours remaining, 236.492188 MB of memory in use. ENERGY: 2185200 3969.2545 20529.7629 14521.5165 243.6986 -203497.2209 2725.7918 0.0000 0.0000 52286.0796 -109221.1170 300.4888 -161507.1966 -108849.6401 300.0505 -167.6675 -134.6256 761907.0839 -1.2999 -1.3035 PRESSURE: 2185400 -296.941 -51.9764 256.605 -51.976 -200.228 -78.6813 256.605 -78.6811 -592.29 GPRESSURE: 2185400 -330.958 -19.7487 194.704 -44.1802 -75.1421 -72.1715 279.344 -129.012 -623.41 PRESSAVG: 2185400 69.5677 20.1954 -16.1455 20.1953 -31.6443 42.756 -16.1455 42.756 30.052 GPRESSAVG: 2185400 69.4148 22.4298 -16.6872 17.7717 -31.0641 42.4233 -16.2176 42.04 29.4977 TIMING: 2185400 CPU: 6907.49, 0.00317327/step Wall: 6907.49, 0.00317327/step, 2.48097 hours remaining, 236.492188 MB of memory in use. ENERGY: 2185400 4030.9847 20580.0202 14454.5996 259.3656 -203045.7630 2245.3460 0.0000 0.0000 52180.9932 -109294.4538 299.8849 -161475.4469 -108931.8694 299.8886 -363.1531 -343.1703 761940.7535 22.6585 22.6162 PRESSURE: 2185600 263.66 -138.23 -25.3872 -138.231 480.324 -60.7695 -25.3864 -60.7696 65.1494 GPRESSURE: 2185600 335.59 -70.5965 4.42204 -182.954 498.474 -55.1691 -51.9715 -17.9185 45.4394 PRESSAVG: 2185600 -9.81743 -3.37475 -7.29054 -3.37472 28.6365 21.9482 -7.29049 21.9482 14.4614 GPRESSAVG: 2185600 -9.10437 -6.00084 -7.27094 -0.942912 26.746 19.7731 -7.46078 23.7783 15.1993 TIMING: 2185600 CPU: 6908.12, 0.00315416/step Wall: 6908.12, 0.00315416/step, 2.46585 hours remaining, 236.492188 MB of memory in use. ENERGY: 2185600 4031.8403 20621.1011 14495.3793 270.1815 -203262.4827 2770.2817 0.0000 0.0000 51795.5671 -109278.1316 297.6698 -161073.6987 -108928.7819 299.6261 269.7111 293.1679 760936.8911 11.0935 10.9470 PRESSURE: 2185800 30.288 295.572 32.6632 295.572 57.7093 65.1634 32.6633 65.1641 -35.1753 GPRESSURE: 2185800 22.454 223.044 67.9275 228.031 223.037 96.2634 24.4632 144.999 -102.35 PRESSAVG: 2185800 22.7266 13.8316 -1.13001 13.8316 -27.8174 -4.75637 -1.12996 -4.7564 -13.1142 GPRESSAVG: 2185800 22.4297 12.9678 0.0730743 13.2167 -27.3713 -4.74186 -2.71773 -3.89479 -13.6773 TIMING: 2185800 CPU: 6908.76, 0.00316306/step Wall: 6908.76, 0.00316306/step, 2.47263 hours remaining, 236.492188 MB of memory in use. ENERGY: 2185800 4040.6302 20489.0789 14571.9463 256.7105 -203296.3119 2573.2007 0.0000 0.0000 52309.9706 -109054.7747 300.6261 -161364.7453 -108695.8830 299.3965 17.6073 47.7135 759500.0347 -6.0683 -6.2063 PRESSURE: 2186000 30.5031 -39.5057 -46.9132 -39.5051 66.5247 -359.406 -46.9129 -359.407 180.141 GPRESSURE: 2186000 83.5536 -17.2199 -8.07529 -80.5337 59.3668 -335.931 -109.415 -242.344 223.17 PRESSAVG: 2186000 49.0557 33.3861 -37.0485 33.3861 -6.37383 -8.39557 -37.0485 -8.3955 12.614 GPRESSAVG: 2186000 48.1546 35.2838 -38.2214 32.5028 -6.67953 -7.57166 -36.3709 -8.24575 13.8349 TIMING: 2186000 CPU: 6909.39, 0.00317573/step Wall: 6909.39, 0.00317573/step, 2.48236 hours remaining, 236.492188 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: 2186000 3934.4821 20586.2480 14560.5572 234.2069 -203621.9290 2850.0552 0.0000 0.0000 52411.8550 -109044.5245 301.2117 -161456.3796 -108689.8244 299.9181 92.3896 122.0301 760885.7582 18.4320 18.4367 PRESSURE: 2186200 27.4459 17.2868 3.75203 17.2863 368.967 -14.5971 3.75297 -14.5961 -87.5041 GPRESSURE: 2186200 14.431 89.0507 -67.9014 -77.3826 288.313 -22.0585 44.8858 -43.21 89.8339 PRESSAVG: 2186200 -6.57583 -4.75804 20.979 -4.75795 -11.8211 -1.97586 20.979 -1.97593 8.83553 GPRESSAVG: 2186200 -6.02439 -4.4266 20.9156 -4.68689 -12.4436 -1.36267 20.8022 -3.61377 9.06325 TIMING: 2186200 CPU: 6910.02, 0.00313817/step Wall: 6910.02, 0.00313817/step, 2.45283 hours remaining, 236.492188 MB of memory in use. ENERGY: 2186200 3956.9188 20444.5955 14496.4314 257.8168 -203395.9974 2777.1279 0.0000 0.0000 52297.8977 -109165.2093 300.5567 -161463.1070 -108809.8845 299.8145 102.9695 130.8594 760062.7609 -3.1871 -3.1349 PRESSURE: 2186400 -128.21 87.6131 0.360871 87.6134 127.596 -136.52 0.362199 -136.52 -227.26 GPRESSURE: 2186400 -99.6983 96.7034 126.195 183.833 174.955 -194.076 -64.9587 -83.6171 -234.045 PRESSAVG: 2186400 19.7808 -10.7046 37.1246 -10.7046 -10.9701 -50.0478 37.1246 -50.0478 -16.253 GPRESSAVG: 2186400 19.8962 -11.4666 39.2424 -10.5312 -10.0306 -49.6454 36.7411 -51.8055 -17.4796 TIMING: 2186400 CPU: 6910.64, 0.00311334/step Wall: 6910.64, 0.00311334/step, 2.43325 hours remaining, 236.492188 MB of memory in use. ENERGY: 2186400 3958.6826 20540.3886 14582.2945 241.7424 -203508.6777 2855.4554 0.0000 0.0000 52148.0118 -109182.1024 299.6953 -161330.1142 -108822.2923 299.5463 -75.9580 -52.9292 762221.9474 -2.4808 -2.5380 PRESSURE: 2186600 -9.23038 -100.103 -119.825 -100.103 68.4007 88.2902 -119.824 88.2899 257.248 GPRESSURE: 2186600 -6.56285 -91.4932 -108.107 -82.6707 135.742 75.3583 -201.547 133.711 268.835 PRESSAVG: 2186600 -11.1424 -1.73479 70.0999 -1.7347 34.9677 -72.2929 70.0999 -72.293 -0.833914 GPRESSAVG: 2186600 -10.353 -2.02704 67.3022 -1.48223 34.7415 -72.4534 72.3599 -71.4328 -1.50577 TIMING: 2186600 CPU: 6911.27, 0.00313127/step Wall: 6911.27, 0.00313127/step, 2.44709 hours remaining, 236.492188 MB of memory in use. ENERGY: 2186600 3991.3892 20303.1054 14571.0849 244.8077 -203079.0267 2424.7993 0.0000 0.0000 52358.2098 -109185.6304 300.9034 -161543.8402 -108811.5719 299.8297 105.4728 132.6716 761742.1946 7.6638 7.6276 PRESSURE: 2186800 261.48 -113.133 -177.909 -113.132 145.759 137.296 -177.909 137.295 407.096 GPRESSURE: 2186800 285.678 -174.288 -232.711 -121.628 169.79 197.301 -139.187 222.52 440.699 PRESSAVG: 2186800 12.129 -18.774 6.68133 -18.774 12.2533 -16.5739 6.68133 -16.5739 20.4466 GPRESSAVG: 2186800 11.6015 -17.3943 6.21142 -21.641 11.4541 -16.3094 6.40551 -16.3125 21.5258 TIMING: 2186800 CPU: 6911.89, 0.00312033/step Wall: 6911.89, 0.00312033/step, 2.43836 hours remaining, 236.492188 MB of memory in use. ENERGY: 2186800 3981.6536 20319.7550 14518.0309 244.7358 -203504.5036 2894.6449 0.0000 0.0000 52358.4358 -109187.2476 300.9047 -161545.6834 -108839.3060 300.0504 271.4449 298.7223 760557.8379 14.9430 14.8604 PRESSURE: 2187000 -59.5989 76.7572 196.459 76.7576 -176.936 -30.3327 196.458 -30.3326 -217.33 GPRESSURE: 2187000 36.9526 -60.1545 181.929 135.724 -191.168 16.1056 82.3782 -14.7094 -221.01 PRESSAVG: 2187000 -10.4931 31.0491 -5.66535 31.0491 -11.1305 -54.7832 -5.66534 -54.7832 -0.593676 GPRESSAVG: 2187000 -9.45291 29.9939 -5.73002 33.3032 -11.2557 -56.3418 -9.0142 -55.1402 -1.34966 TIMING: 2187000 CPU: 6912.52, 0.00312105/step Wall: 6912.52, 0.00312105/step, 2.43875 hours remaining, 236.492188 MB of memory in use. ENERGY: 2187000 4044.4421 20421.4289 14500.3483 236.6123 -203330.6597 2470.7207 0.0000 0.0000 52220.1392 -109436.9682 300.1099 -161657.1074 -109086.6945 299.3137 -151.2884 -125.0752 760631.4741 -7.4058 -7.3527 PRESSURE: 2187200 -240.548 -73.8743 -110.55 -73.8746 167.915 121.308 -110.55 121.309 94.1357 GPRESSURE: 2187200 -220.266 44.778 -103.643 -67.857 295.05 83.1315 -13.3117 207.205 30.1465 PRESSAVG: 2187200 28.3762 24.6271 16.7017 24.6271 22.2628 17.1152 16.7018 17.1152 5.61324 GPRESSAVG: 2187200 26.8384 24.2214 18.7056 24.8154 22.6307 18.8581 19.5343 15.6003 6.31705 TIMING: 2187200 CPU: 6913.14, 0.00312234/step Wall: 6913.14, 0.00312234/step, 2.43959 hours remaining, 236.492188 MB of memory in use. ENERGY: 2187200 3980.9163 20537.9865 14493.4037 254.1150 -203206.7880 2690.9822 0.0000 0.0000 52071.3450 -109178.0394 299.2547 -161249.3844 -108817.0312 299.3367 7.1675 34.9770 762585.6491 18.7507 18.5954 PRESSURE: 2187400 96.126 -111.616 133.071 -111.616 207.26 -82.5782 133.071 -82.5792 305.658 GPRESSURE: 2187400 203.006 -47.6132 205.083 -226.172 246.539 -128.94 50.1788 -45.2754 245.052 PRESSAVG: 2187400 51.5276 15.6301 15.9867 15.6301 -49.8681 -60.4045 15.9867 -60.4045 -24.0194 GPRESSAVG: 2187400 52.4863 16.6656 13.0541 14.888 -49.1436 -61.0241 16.1323 -58.9578 -25.1565 TIMING: 2187400 CPU: 6913.77, 0.00312487/step Wall: 6913.77, 0.00312487/step, 2.44139 hours remaining, 236.492188 MB of memory in use. ENERGY: 2187400 3907.8389 20676.5682 14522.2978 232.3403 -203374.5983 2799.7623 0.0000 0.0000 52170.1736 -109065.6173 299.8227 -161235.7909 -108701.1534 300.0025 203.0148 231.5321 760838.6351 -7.4533 -7.2713 PRESSURE: 2187600 -343.334 76.3538 320.231 76.3528 -168.321 43.7052 320.231 43.7051 -115.237 GPRESSURE: 2187600 -294.766 138.355 341.328 7.94954 -112.156 49.9253 296.191 -135.221 -144.438 PRESSAVG: 2187600 25.7168 5.51076 44.3517 5.51076 -35.5476 -63.8054 44.3517 -63.8054 16.3167 GPRESSAVG: 2187600 25.7124 4.29743 46.1769 7.182 -35.2107 -63.4206 43.1557 -65.9106 15.3269 TIMING: 2187600 CPU: 6914.39, 0.00313345/step Wall: 6914.39, 0.00313345/step, 2.44792 hours remaining, 236.492188 MB of memory in use. ENERGY: 2187600 4017.9823 20542.3110 14497.6087 262.8360 -202877.5926 2423.1403 0.0000 0.0000 52010.3924 -109123.3219 298.9044 -161133.7143 -108753.3987 299.8181 -208.9639 -183.7867 762281.2210 2.1620 1.9429 PRESSURE: 2187800 -83.5883 -10.3981 266.294 -10.3976 2.34493 134.593 266.294 134.593 -141.156 GPRESSURE: 2187800 -48.9404 64.0726 240.721 -78.4357 64.8448 111.418 175.632 126.822 -162.361 PRESSAVG: 2187800 -7.94863 52.4643 34.1337 52.4644 -14.8099 -20.7866 34.1337 -20.7866 -8.01511 GPRESSAVG: 2187800 -8.08478 54.19 34.2565 50.5093 -15.2326 -20.2778 33.7482 -19.7602 -7.21622 TIMING: 2187800 CPU: 6915.02, 0.00314116/step Wall: 6915.02, 0.00314116/step, 2.45377 hours remaining, 236.492188 MB of memory in use. ENERGY: 2187800 4023.5869 20515.1978 14488.7066 231.9696 -203317.5228 2590.5743 0.0000 0.0000 52267.0789 -109200.4088 300.3796 -161467.4877 -108831.2163 299.6056 -74.1332 -48.8191 761761.9429 -10.2579 -10.1779 PRESSURE: 2188000 73.9323 -127.047 213.493 -127.047 -11.1726 -18.3157 213.493 -18.3153 -178.687 GPRESSURE: 2188000 69.4877 -204.443 200.278 -146.559 25.1328 26.572 272.95 -42.0075 -144.961 PRESSAVG: 2188000 -11.0665 7.55722 -40.5205 7.55723 -16.0603 -1.70633 -40.5205 -1.70636 22.6883 GPRESSAVG: 2188000 -10.0961 5.34223 -39.7915 10.9487 -17.2865 -0.513909 -41.9426 -4.82459 23.03 TIMING: 2188000 CPU: 6915.65, 0.00312832/step Wall: 6915.65, 0.00312832/step, 2.44356 hours remaining, 236.492188 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: 2188000 4099.1008 20604.2688 14493.3339 257.7628 -203404.9467 2629.7655 0.0000 0.0000 52073.6183 -109247.0966 299.2678 -161320.7149 -108881.9211 299.6775 -38.6425 -16.7803 761967.2053 -1.4795 -1.4509 PRESSURE: 2188200 98.5747 37.2083 237.963 37.2083 323.706 58.072 237.962 58.0725 -46.2719 GPRESSURE: 2188200 186.602 63.7697 271.771 171.902 264.626 150.859 200.15 3.4455 6.15331 PRESSAVG: 2188200 -63.8426 2.90051 -14.9721 2.90051 51.368 0.10238 -14.9721 0.102354 9.60407 GPRESSAVG: 2188200 -64.8494 3.85654 -14.6781 2.13036 51.541 -0.987539 -11.5105 2.79085 10.1697 TIMING: 2188200 CPU: 6916.27, 0.00313791/step Wall: 6916.27, 0.00313791/step, 2.45088 hours remaining, 236.492188 MB of memory in use. ENERGY: 2188200 4014.6906 20651.9333 14439.4567 247.3766 -203507.2211 2681.3075 0.0000 0.0000 52142.4226 -109330.0336 299.6632 -161472.4563 -108970.1871 299.6263 125.3362 152.4604 760594.1038 -0.9568 -1.0462 LDB: ============= START OF LOAD BALANCING ============== 6928.8 LDB: ============== END OF LOAD BALANCING =============== 6928.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6928.8 LDB: ============= START OF LOAD BALANCING ============== 6929.12 LDB: Largest compute 7076 load 0.029633 is 15.2% of average load 0.195355 LDB: Average compute 0.004390 is 2.2% of average load 0.195355 LDB: TIME 6929.12 LOAD: AVG 0.195355 MAX 0.22583 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 6929.12 LOAD: AVG 0.195355 MAX 0.22583 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.023 MB LDB: TIME 6929.12 LOAD: AVG 0.195355 MAX 0.21693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.023 MB LDB: ============== END OF LOAD BALANCING =============== 6929.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 6929.13 PRESSURE: 2188400 98.5797 -263.382 -208.822 -263.382 -388.069 66.9415 -208.822 66.9423 155.341 GPRESSURE: 2188400 65.0926 -182.799 -220.195 -346.157 -283.659 67.4945 -198.46 112.79 165.554 PRESSAVG: 2188400 -22.7744 10.2678 8.93877 10.2678 -24.5595 -14.7883 8.93873 -14.7883 29.5189 GPRESSAVG: 2188400 -23.5955 11.3583 7.57227 10.6992 -23.2414 -13.4544 8.39211 -15.5558 29.5223 TIMING: 2188400 CPU: 6916.91, 0.00319451/step Wall: 6916.91, 0.00319451/step, 2.49491 hours remaining, 236.152344 MB of memory in use. ENERGY: 2188400 3968.8132 20497.3189 14531.1808 239.1787 -203453.6473 2740.7478 0.0000 0.0000 52053.2033 -109423.2046 299.1505 -161476.4079 -109062.3482 299.2636 -44.7160 -17.6708 762079.1128 -5.9383 -5.7715 Info: useSync: 0 useProxySync: 0 PRESSURE: 2188600 237.856 220.368 259.831 220.367 281.505 86.3496 259.83 86.3492 215.128 GPRESSURE: 2188600 275.031 243.516 173.068 1.46573 211.162 129.658 156.544 225.024 337.663 PRESSAVG: 2188600 -1.27072 3.53766 -21.5259 3.53767 62.6739 -39.6934 -21.5259 -39.6933 14.4752 GPRESSAVG: 2188600 -0.19893 4.9972 -22.7595 0.23182 62.1977 -41.5323 -21.6723 -39.6761 13.9924 TIMING: 2188600 CPU: 6917.54, 0.00314093/step Wall: 6917.54, 0.00314093/step, 2.45289 hours remaining, 236.152344 MB of memory in use. ENERGY: 2188600 3951.4506 20633.9747 14545.8191 235.7441 -203551.1358 2860.8176 0.0000 0.0000 51941.0588 -109382.2710 298.5060 -161323.3298 -109021.7767 299.5355 244.8295 274.6185 759801.2250 25.2928 25.3304 PRESSURE: 2188800 89.9705 -29.3402 -101.374 -29.3404 354.374 192.235 -101.375 192.235 257.417 GPRESSURE: 2188800 225.515 -45.7939 -174.6 -53.0289 341.598 248.922 -130.185 103.516 229.081 PRESSAVG: 2188800 76.3652 60.114 -27.2239 60.114 -81.2508 37.0352 -27.224 37.0352 12.6344 GPRESSAVG: 2188800 74.5942 57.5809 -26.08 62.7038 -79.6582 37.3791 -25.503 37.986 12.4553 TIMING: 2188800 CPU: 6918.17, 0.00315934/step Wall: 6918.17, 0.00315934/step, 2.46709 hours remaining, 236.152344 MB of memory in use. ENERGY: 2188800 3966.5448 20509.7174 14480.7131 242.0073 -203650.2563 2861.4335 0.0000 0.0000 52198.4923 -109391.3479 299.9855 -161589.8402 -109029.5071 299.8958 233.9207 265.3980 760032.7966 2.5829 2.4637 PRESSURE: 2189000 -12.5251 -1.98487 -129.399 -1.98506 182.636 -45.812 -129.399 -45.813 231.543 GPRESSURE: 2189000 -6.16722 79.6259 -172.556 5.25417 226.519 -11.7916 -159.248 -104.763 249.228 PRESSAVG: 2189000 15.3896 55.71 -15.724 55.71 -17.056 -18.4868 -15.7239 -18.4869 -0.994444 GPRESSAVG: 2189000 16.3639 58.0513 -15.9553 53.9433 -18.7759 -18.1411 -17.5125 -18.6435 -0.467466 TIMING: 2189000 CPU: 6918.8, 0.00315607/step Wall: 6918.8, 0.00315607/step, 2.46436 hours remaining, 236.152344 MB of memory in use. ENERGY: 2189000 3993.1726 20535.0930 14444.7122 261.6564 -203248.2561 2803.0277 0.0000 0.0000 51847.4560 -109363.1382 297.9680 -161210.5942 -109008.7971 299.0552 133.8844 156.5265 761910.0355 -0.8869 -0.9598 PRESSURE: 2189200 200.535 180.175 -23.0041 180.174 -299.597 -75.8059 -23.0045 -75.8062 118.376 GPRESSURE: 2189200 206.155 99.3228 -67.0981 30.2746 -298.792 -80.2702 -17.8786 5.43822 178.84 PRESSAVG: 2189200 1.2112 22.0994 -7.17346 22.0994 -5.44725 0.713393 -7.17345 0.713311 8.79659 GPRESSAVG: 2189200 2.40235 20.5791 -7.79119 22.8291 -5.84644 1.54002 -7.36071 1.86097 8.15989 TIMING: 2189200 CPU: 6919.43, 0.00313226/step Wall: 6919.43, 0.00313226/step, 2.4456 hours remaining, 236.152344 MB of memory in use. ENERGY: 2189200 3880.1570 20573.7298 14468.8405 257.9478 -203598.7707 2774.1373 0.0000 0.0000 52069.4211 -109574.5372 299.2437 -161643.9583 -109205.1817 299.4950 6.4377 28.7343 762161.8409 1.5202 1.5719 PRESSURE: 2189400 282.85 -14.5402 -63.5191 -14.5397 11.3168 74.0633 -63.5191 74.0619 178.515 GPRESSURE: 2189400 183.164 31.8939 -16.1419 56.3197 134.787 55.427 -98.6342 126.257 224.693 PRESSAVG: 2189400 4.60767 -42.7936 -18.4233 -42.7937 -16.1214 10.3301 -18.4233 10.33 4.24169 GPRESSAVG: 2189400 3.00725 -41.9861 -18.391 -42.3198 -14.1704 8.15253 -18.6493 12.4999 3.92765 TIMING: 2189400 CPU: 6920.06, 0.00313332/step Wall: 6920.06, 0.00313332/step, 2.44625 hours remaining, 236.152344 MB of memory in use. ENERGY: 2189400 3995.9521 20277.2942 14539.6460 238.2040 -203742.5610 2900.0497 0.0000 0.0000 52331.5683 -109459.8467 300.7502 -161791.4149 -109080.5418 299.1269 157.5605 180.8814 761347.1309 -2.4240 -2.4118 PRESSURE: 2189600 130.963 -32.4814 -140.413 -32.4818 203.144 -90.8581 -140.412 -90.858 434.786 GPRESSURE: 2189600 185.228 -62.121 -172.661 -100.193 237.324 -8.88613 -14.5395 -53.8621 405.269 PRESSAVG: 2189600 -8.33077 0.00697962 -10.9544 0.0070042 26.9523 6.1369 -10.9543 6.13686 32.3639 GPRESSAVG: 2189600 -8.7521 -2.31155 -9.86826 1.16401 27.1552 7.91452 -10.4531 2.52324 32.3794 TIMING: 2189600 CPU: 6920.68, 0.00311552/step Wall: 6920.68, 0.00311552/step, 2.43218 hours remaining, 236.152344 MB of memory in use. ENERGY: 2189600 3918.9118 20621.4059 14486.3797 259.8982 -204173.8215 3035.7421 0.0000 0.0000 52354.2788 -109497.2051 300.8808 -161851.4839 -109128.6637 299.4897 256.2975 275.9407 761692.5670 16.9951 16.9275 PRESSURE: 2189800 -354.089 159.65 189.744 159.65 -116.049 -155.997 189.744 -155.997 162.002 GPRESSURE: 2189800 -168.722 118.383 182.909 147.694 -162.179 -179.746 155.3 -161.238 122.719 PRESSAVG: 2189800 32.9461 12.3209 -29.788 12.3208 11.0445 -48.2046 -29.788 -48.2045 -9.73714 GPRESSAVG: 2189800 34.5582 13.2367 -29.0976 10.6815 9.02935 -48.0561 -29.342 -45.1449 -9.03675 TIMING: 2189800 CPU: 6921.31, 0.00313472/step Wall: 6921.31, 0.00313472/step, 2.447 hours remaining, 236.152344 MB of memory in use. ENERGY: 2189800 3982.6724 20601.5636 14454.5167 237.0144 -203378.7605 2513.9893 0.0000 0.0000 52148.4473 -109440.5567 299.6978 -161589.0041 -109076.3163 299.5174 -102.7122 -69.3939 762632.1017 11.4178 11.5169 PRESSURE: 2190000 -397.483 38.0372 233.277 38.0375 -75.9818 225.786 233.278 225.786 -460.593 GPRESSURE: 2190000 -353.118 62.8744 194.727 -74.6707 -2.64598 218.045 167.379 99.3051 -489.447 PRESSAVG: 2190000 -15.1789 28.7961 21.7903 28.7961 22.1188 -32.9043 21.7903 -32.9043 23.4826 GPRESSAVG: 2190000 -15.6165 29.1156 20.8004 28.5651 22.3619 -34.8931 19.7676 -34.2144 23.8915 TIMING: 2190000 CPU: 6921.93, 0.00312304/step Wall: 6921.93, 0.00312304/step, 2.43771 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: 2190000 3948.0638 20477.1810 14488.1440 250.5783 -203383.6550 2645.0151 0.0000 0.0000 52298.7078 -109275.9651 300.5614 -161574.6729 -108901.3795 299.5924 -311.3524 -281.7369 762001.9718 10.1408 10.2123 PRESSURE: 2190200 -113.083 -70.1378 18.4272 -70.1384 139.257 -172.568 18.4271 -172.568 -38.1636 GPRESSURE: 2190200 -43.8335 -56.7841 -50.6272 -146.589 141.826 -149.243 11.902 -95.7142 -41.4594 PRESSAVG: 2190200 -21.3232 35.2413 15.0612 35.2414 7.20071 -33.6451 15.0612 -33.6451 -3.42032 GPRESSAVG: 2190200 -21.7019 35.2721 14.7231 35.011 8.27416 -33.2454 15.8514 -34.2454 -4.07399 TIMING: 2190200 CPU: 6922.56, 0.00312257/step Wall: 6922.56, 0.00312257/step, 2.43716 hours remaining, 236.152344 MB of memory in use. ENERGY: 2190200 3984.1468 20464.4769 14494.3094 265.5405 -203373.1324 2654.6511 0.0000 0.0000 52187.8327 -109322.1749 299.9242 -161510.0076 -108962.5307 299.9620 -3.9964 18.8445 760669.6646 -5.8476 -5.8339 PRESSURE: 2190400 162.816 -13.7197 206.611 -13.7197 81.729 202.739 206.611 202.739 274.38 GPRESSURE: 2190400 234.773 46.1703 147.369 67.5294 138.427 150.328 259.758 224.965 224.76 PRESSAVG: 2190400 -26.1118 0.115148 30.8072 0.115134 -1.08246 -61.4697 30.8071 -61.4696 19.2893 GPRESSAVG: 2190400 -26.1822 0.412523 31.3473 0.565015 -2.01113 -61.6089 31.3819 -61.3078 20.3261 TIMING: 2190400 CPU: 6923.19, 0.00314167/step Wall: 6923.19, 0.00314167/step, 2.4519 hours remaining, 236.152344 MB of memory in use. ENERGY: 2190400 3958.6206 20598.4626 14485.7476 246.5745 -203350.3189 2392.8967 0.0000 0.0000 52174.0577 -109493.9592 299.8450 -161668.0169 -109126.8392 299.7131 172.9750 199.3200 761712.1671 -2.6350 -2.6224 PRESSURE: 2190600 -91.5019 34.4523 -194.562 34.4521 192.251 99.5722 -194.56 99.5728 -30.877 GPRESSURE: 2190600 50.1683 116.543 -143.428 72.6143 150.698 198.04 -266.373 19.8416 -43.8803 PRESSAVG: 2190600 -13.6002 -17.8096 13.4367 -17.8096 37.5636 -10.6396 13.4367 -10.6396 17.719 GPRESSAVG: 2190600 -12.21 -16.9291 13.9998 -18.9863 35.6827 -9.66433 13.0151 -10.6855 17.2911 TIMING: 2190600 CPU: 6923.82, 0.00314905/step Wall: 6923.82, 0.00314905/step, 2.45748 hours remaining, 236.152344 MB of memory in use. ENERGY: 2190600 3878.3350 20488.1512 14444.7110 240.1525 -203427.2772 2798.9577 0.0000 0.0000 52154.0282 -109422.9416 299.7299 -161576.9698 -109054.6400 299.8074 23.2908 52.3286 762210.5902 13.8941 13.5879 PRESSURE: 2190800 -623.549 -66.3767 74.7694 -66.3772 -286.317 138.589 74.7693 138.59 99.031 GPRESSURE: 2190800 -524.5 -19.5421 70.796 -103.909 -274.455 194.586 88.725 52.773 64.7658 PRESSAVG: 2190800 -21.9289 5.23795 -45.3792 5.23801 22.851 -21.0347 -45.3792 -21.0347 1.31066 GPRESSAVG: 2190800 -23.1183 3.71546 -47.6992 7.91213 25.1777 -22.6727 -46.093 -20.1627 0.185524 TIMING: 2190800 CPU: 6924.44, 0.00312042/step Wall: 6924.44, 0.00312042/step, 2.43497 hours remaining, 236.152344 MB of memory in use. ENERGY: 2190800 4017.0114 20548.6444 14454.7275 253.0731 -203011.1884 2533.6503 0.0000 0.0000 51997.2752 -109206.8065 298.8291 -161204.0817 -108847.5334 299.6738 -270.2783 -244.7298 761180.1957 0.7443 0.7483 PRESSURE: 2191000 -77.9766 113.116 58.7795 113.117 -61.8834 64.612 58.7785 64.6123 -29.6374 GPRESSURE: 2191000 -115.064 -63.4994 142.012 115.557 27.8264 31.6209 98.7101 30.3756 -13.1032 PRESSAVG: 2191000 -10.0056 25.2478 -14.7365 25.2477 21.0819 -48.4416 -14.7365 -48.4416 -37.0936 GPRESSAVG: 2191000 -9.7875 24.4914 -13.7181 22.5779 20.1212 -47.2389 -14.5778 -48.3101 -36.2153 TIMING: 2191000 CPU: 6925.07, 0.00315315/step Wall: 6925.07, 0.00315315/step, 2.46033 hours remaining, 236.152344 MB of memory in use. ENERGY: 2191000 3979.3657 20506.6741 14386.5990 247.6865 -203236.1115 2566.6661 0.0000 0.0000 52206.4121 -109342.7079 300.0310 -161549.1200 -108982.3811 299.7342 -56.4991 -33.4469 762174.1332 -8.6724 -8.6272 PRESSURE: 2191200 -146.68 73.2734 211.04 73.2726 41.0354 -8.14346 211.04 -8.14367 -223.28 GPRESSURE: 2191200 -101.645 60.799 183.967 -50.9521 11.353 -52.0549 254.191 -38.6241 -158.089 PRESSAVG: 2191200 27.7951 6.17579 5.62943 6.1758 -26.6286 -66.8451 5.62945 -66.845 -5.29228 GPRESSAVG: 2191200 28.0994 6.01712 7.47048 5.72484 -25.9512 -68.6227 6.86502 -67.549 -5.70034 TIMING: 2191200 CPU: 6925.7, 0.00313838/step Wall: 6925.7, 0.00313838/step, 2.44863 hours remaining, 236.152344 MB of memory in use. ENERGY: 2191200 3951.9812 20449.3259 14514.5601 261.4683 -202788.0915 2332.1119 0.0000 0.0000 52033.0852 -109245.5589 299.0349 -161278.6441 -108884.2210 299.5364 -109.6415 -82.7934 760754.9894 -1.3753 -1.1840 PRESSURE: 2191400 435.05 -27.6386 -183.283 -27.6392 -39.8624 163.655 -183.282 163.655 482.8 GPRESSURE: 2191400 483.974 112.896 -167.909 -98.2354 56.2192 124.334 -107 57.7413 410.87 PRESSAVG: 2191400 11.6148 69.6311 -22.4438 69.6311 7.77118 -6.94375 -22.4438 -6.94384 -16.7614 GPRESSAVG: 2191400 12.1592 71.3346 -24.468 70.5223 7.50754 -6.64258 -21.8769 -6.46343 -16.5522 TIMING: 2191400 CPU: 6926.33, 0.00313821/step Wall: 6926.33, 0.00313821/step, 2.44832 hours remaining, 236.152344 MB of memory in use. ENERGY: 2191400 3992.9937 20556.4001 14502.6593 241.4493 -203382.0897 2551.1816 0.0000 0.0000 52124.2153 -109413.1904 299.5586 -161537.4056 -109045.8046 299.4506 292.6626 317.0212 759539.9588 0.8749 1.0382 PRESSURE: 2191600 -127.251 31.9497 -55.7237 31.9484 21.7876 -152.082 -55.7233 -152.082 -295.9 GPRESSURE: 2191600 -45.9901 -92.7597 40.3969 93.6887 38.6304 -167.949 -57.2535 -93.9273 -313.008 PRESSAVG: 2191600 24.992 -15.3426 -44.3175 -15.3426 -42.7812 -23.7112 -44.3174 -23.7112 -12.6934 GPRESSAVG: 2191600 24.9052 -17.0499 -44.0738 -13.2696 -42.7381 -22.1697 -46.0221 -24.5051 -12.8962 TIMING: 2191600 CPU: 6926.95, 0.00312275/step Wall: 6926.95, 0.00312275/step, 2.43609 hours remaining, 236.152344 MB of memory in use. ENERGY: 2191600 3982.3279 20597.6744 14464.0138 235.4299 -203103.4550 2334.6526 0.0000 0.0000 52058.3271 -109431.0293 299.1799 -161489.3564 -109060.3990 299.4766 -133.7875 -106.7893 760709.9671 -10.1609 -10.2430 PRESSURE: 2191800 -540.73 132.696 -216.038 132.695 -363.682 -37.211 -216.038 -37.2114 -166.978 GPRESSURE: 2191800 -480.352 114.489 -161.358 213.908 -381.425 -66.1337 -271.307 16.6394 -138.248 PRESSAVG: 2191800 73.0477 -43.8507 -20.2946 -43.8507 -65.8329 2.20636 -20.2946 2.20635 -20.9156 GPRESSAVG: 2191800 73.157 -43.1215 -21.5148 -44.6408 -66.1036 1.31938 -19.2557 4.12728 -20.3416 TIMING: 2191800 CPU: 6927.57, 0.00311988/step Wall: 6927.57, 0.00311988/step, 2.43368 hours remaining, 236.152344 MB of memory in use. ENERGY: 2191800 3999.2283 20425.0191 14522.2426 241.4437 -203390.1945 2420.5940 0.0000 0.0000 52154.0445 -109627.6224 299.7300 -161781.6669 -109268.0476 299.1375 -357.1301 -333.3420 762675.8558 -4.5669 -4.4294 PRESSURE: 2192000 -128.768 -35.2348 -233.736 -35.2352 146.266 166.777 -233.736 166.777 641.728 GPRESSURE: 2192000 -132.414 69.596 -157.706 -42.1276 197.578 242.261 -196.045 72.2252 651.873 PRESSAVG: 2192000 26.0162 -16.2473 -0.154195 -16.2472 -19.4049 -13.8783 -0.154166 -13.8783 37.2279 GPRESSAVG: 2192000 25.4017 -14.4133 1.21218 -16.4406 -19.0708 -12.8499 -2.49048 -14.74 37.7216 TIMING: 2192000 CPU: 6928.2, 0.00311557/step Wall: 6928.2, 0.00311557/step, 2.43014 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: 2192000 3918.8407 20271.8208 14483.2351 261.7888 -203316.7197 2819.1193 0.0000 0.0000 52050.7647 -109511.1503 299.1365 -161561.9150 -109146.4118 298.8174 219.7419 239.0125 761426.9968 14.6130 14.6842 PRESSURE: 2192200 -300.674 -151.719 78.7755 -151.719 37.6383 -49.8899 78.7757 -49.891 -24.8774 GPRESSURE: 2192200 -300.187 -197.04 181.96 -72.9319 79.3352 -61.9523 79.7115 -128.011 18.3567 PRESSAVG: 2192200 47.1135 12.5078 -63.5751 12.5078 -60.3087 -2.61699 -63.5751 -2.61706 -16.8879 GPRESSAVG: 2192200 47.6976 10.0113 -64.0297 13.1113 -60.6305 -4.00819 -62.373 -2.31523 -17.2265 TIMING: 2192200 CPU: 6928.83, 0.00314064/step Wall: 6928.83, 0.00314064/step, 2.44952 hours remaining, 236.152344 MB of memory in use. ENERGY: 2192200 3958.3963 20583.5935 14483.0455 243.6339 -203310.8885 2693.4282 0.0000 0.0000 51817.4538 -109531.3374 297.7956 -161348.7912 -109172.6951 299.1099 -95.9711 -67.4985 762006.8048 -10.0277 -10.0531 LDB: ============= START OF LOAD BALANCING ============== 6941.35 LDB: ============== END OF LOAD BALANCING =============== 6941.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6941.36 LDB: ============= START OF LOAD BALANCING ============== 6941.67 LDB: Largest compute 7076 load 0.029345 is 15.0% of average load 0.195402 LDB: Average compute 0.004393 is 2.2% of average load 0.195402 LDB: TIME 6941.67 LOAD: AVG 0.195402 MAX 0.218789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.859 MB LDB: TIME 6941.67 LOAD: AVG 0.195402 MAX 0.218789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.93 MB LDB: TIME 6941.67 LOAD: AVG 0.195402 MAX 0.217145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.93 MB LDB: ============== END OF LOAD BALANCING =============== 6941.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6941.68 PRESSURE: 2192400 -116.261 -163.555 62.8144 -163.555 248.954 -57.141 62.8141 -57.1412 299.801 GPRESSURE: 2192400 -44.3024 -40.9036 101.492 -179.532 298.033 -179.024 110.147 17.8223 277.568 PRESSAVG: 2192400 51.8807 -18.9588 -28.1205 -18.9588 -12.0696 12.5385 -28.1205 12.5384 1.84195 GPRESSAVG: 2192400 51.4941 -17.0134 -27.0961 -18.4869 -12.3742 13.107 -26.9196 12.2503 2.73455 TIMING: 2192400 CPU: 6929.46, 0.00318695/step Wall: 6929.46, 0.00318695/step, 2.48547 hours remaining, 234.605469 MB of memory in use. ENERGY: 2192400 3929.5690 20295.7586 14432.9163 249.5057 -202999.3935 2578.9287 0.0000 0.0000 52015.8371 -109496.8781 298.9357 -161512.7152 -109133.5587 299.0411 144.1649 177.0997 762493.4619 13.8843 13.9515 PRESSURE: 2192600 395.646 66.0729 -134.743 66.0721 -245.096 -187.248 -134.743 -187.249 135.383 GPRESSURE: 2192600 354.518 42.4984 -63.4708 86.578 -93.8136 -209.057 -208.828 -163.194 89.5766 PRESSAVG: 2192600 31.3509 35.8433 -15.2941 35.8434 -16.0552 -53.6352 -15.2941 -53.6351 21.5767 GPRESSAVG: 2192600 32.1673 33.6336 -15.8618 36.7013 -14.8108 -53.4654 -16.167 -55.2523 19.7266 TIMING: 2192600 CPU: 6930.09, 0.00312074/step Wall: 6930.09, 0.00312074/step, 2.43365 hours remaining, 234.605469 MB of memory in use. ENERGY: 2192600 3983.3743 20638.1971 14414.5235 247.6309 -203191.5301 2610.8417 0.0000 0.0000 51629.5757 -109667.3868 296.7159 -161296.9625 -109315.7363 298.5404 95.3108 116.7602 761967.9476 12.2908 12.3610 PRESSURE: 2192800 -41.4403 124.068 -220.862 124.067 126.29 155.565 -220.862 155.565 188.689 GPRESSURE: 2192800 -81.0362 72.6686 -234.15 6.77328 186.968 187.056 -144.981 179.79 249.436 PRESSAVG: 2192800 72.1747 34.5413 7.30227 34.5413 -60.3577 -78.9998 7.30229 -78.9998 -16.4028 GPRESSAVG: 2192800 70.7738 36.417 5.20732 30.7752 -59.8679 -77.9867 6.71399 -76.9714 -15.8002 TIMING: 2192800 CPU: 6930.71, 0.00311805/step Wall: 6930.71, 0.00311805/step, 2.43139 hours remaining, 234.605469 MB of memory in use. ENERGY: 2192800 3928.9482 20427.1652 14446.3287 245.9792 -203459.2534 2823.7619 0.0000 0.0000 51940.2429 -109646.8272 298.5013 -161587.0701 -109283.4549 298.9091 91.1798 118.4559 761492.9700 -1.5286 -1.6314 PRESSURE: 2193000 -123.473 70.136 74.2323 70.1353 245.232 -40.9214 74.2327 -40.9215 222.98 GPRESSURE: 2193000 -23.348 -87.2642 73.555 42.0996 197.119 -42.3039 52.5695 -65.3157 254.129 PRESSAVG: 2193000 33.4897 60.1116 -39.5806 60.1116 -38.3158 -8.52675 -39.5806 -8.52669 20.3824 GPRESSAVG: 2193000 35.1026 59.4494 -37.5233 61.8187 -39.4001 -9.19077 -40.4607 -10.7309 19.8502 TIMING: 2193000 CPU: 6931.33, 0.0031236/step Wall: 6931.33, 0.0031236/step, 2.43554 hours remaining, 234.605469 MB of memory in use. ENERGY: 2193000 3948.1771 20541.0261 14512.2632 255.7011 -203379.6537 2792.4448 0.0000 0.0000 51802.4471 -109527.5942 297.7094 -161330.0412 -109167.4256 298.3681 114.9129 142.6332 761132.4832 5.1854 5.1843 PRESSURE: 2193200 64.077 -53.1164 31.1609 -53.1156 84.3211 -178.809 31.1616 -178.809 -414.436 GPRESSURE: 2193200 81.8158 -9.75513 77.4645 105.632 64.7011 -127.577 -70.397 -101.373 -327.269 PRESSAVG: 2193200 55.0526 10.7739 10.3282 10.7739 -22.2807 -41.2016 10.3281 -41.2016 3.20402 GPRESSAVG: 2193200 54.5154 12.4636 8.67537 10.7717 -22.6834 -42.2483 13.338 -37.6671 4.19497 TIMING: 2193200 CPU: 6931.96, 0.00311844/step Wall: 6931.96, 0.00311844/step, 2.43135 hours remaining, 234.605469 MB of memory in use. ENERGY: 2193200 4054.1025 20386.1111 14560.6410 248.2642 -203424.7690 2494.9301 0.0000 0.0000 52117.9070 -109562.8130 299.5223 -161680.7200 -109195.3608 298.6838 -88.6791 -60.2508 760647.9336 11.9919 12.0090 PRESSURE: 2193400 248.586 -127.305 -23.4588 -127.305 72.829 62.2905 -23.4582 62.2915 -67.7253 GPRESSURE: 2193400 248.962 -53.489 15.1067 -98.6125 126.614 63.7899 48.3121 74.3044 -36.2956 PRESSAVG: 2193400 26.3012 21.4722 -30.5939 21.4722 -31.5849 -36.0611 -30.5938 -36.0612 17.5457 GPRESSAVG: 2193400 24.3336 20.2926 -29.1765 22.0447 -29.365 -36.5066 -31.256 -37.7218 17.3295 TIMING: 2193400 CPU: 6932.58, 0.0031115/step Wall: 6932.58, 0.0031115/step, 2.42576 hours remaining, 234.605469 MB of memory in use. ENERGY: 2193400 3953.9418 20476.8354 14517.7882 274.0649 -203687.5123 2806.5243 0.0000 0.0000 52190.9288 -109467.4289 299.9420 -161658.3577 -109114.9979 298.9066 84.5633 113.0936 758315.5844 4.0873 4.0993 PRESSURE: 2193600 -17.8228 230.151 -56.3861 230.151 -162.927 69.3357 -56.3855 69.3367 -249.664 GPRESSURE: 2193600 45.6184 231.357 -106.116 121.358 -126.924 97.859 -80.0787 121.087 -248.991 PRESSAVG: 2193600 -27.3701 -3.63475 15.498 -3.63476 29.0355 -34.9286 15.498 -34.9285 -1.59876 GPRESSAVG: 2193600 -26.6 -4.89744 15.2295 -4.49484 28.3792 -35.4605 15.7741 -33.542 -1.72139 TIMING: 2193600 CPU: 6933.21, 0.00312894/step Wall: 6933.21, 0.00312894/step, 2.43918 hours remaining, 234.605469 MB of memory in use. ENERGY: 2193600 3973.8768 20521.7057 14540.9014 252.3562 -203622.0340 2670.7091 0.0000 0.0000 51858.1322 -109804.3526 298.0294 -161662.4848 -109447.6442 298.8950 -143.4714 -110.0991 760498.9008 0.0222 0.0193 PRESSURE: 2193800 342.415 -249.935 -3.23753 -249.934 -141.697 16.1202 -3.23689 16.1208 -226.882 GPRESSURE: 2193800 390.442 -278.538 -7.05173 -321.426 -100.139 9.12109 85.1434 -137.986 -235.45 PRESSAVG: 2193800 25.8764 -44.564 9.98444 -44.5641 -62.7473 -33.0122 9.98447 -33.0122 -17.1563 GPRESSAVG: 2193800 27.4767 -43.1782 10.7958 -45.6268 -63.7113 -31.7024 9.51893 -35.233 -18.0966 TIMING: 2193800 CPU: 6933.83, 0.00312052/step Wall: 6933.83, 0.00312052/step, 2.43245 hours remaining, 234.605469 MB of memory in use. ENERGY: 2193800 4016.1328 20423.0713 14462.8869 260.4546 -203628.1500 2737.6928 0.0000 0.0000 52176.1093 -109551.8024 299.8568 -161727.9117 -109191.1997 298.7337 -8.7213 18.2844 760828.8595 -18.0091 -18.1104 PRESSURE: 2194000 -519.774 -53.7736 244.813 -53.7738 -170.1 -18.8492 244.812 -18.8482 -202.474 GPRESSURE: 2194000 -447.821 51.4904 348.695 -6.8412 -129.134 -146.556 222.623 -63.8009 -232.063 PRESSAVG: 2194000 38.3981 -67.0846 -6.99775 -67.0846 0.92957 5.34039 -6.99775 5.3404 -16.1995 GPRESSAVG: 2194000 36.8486 -68.0788 -7.30371 -66.5864 1.2981 4.63982 -5.37733 5.10412 -15.4156 TIMING: 2194000 CPU: 6934.46, 0.0031267/step Wall: 6934.46, 0.0031267/step, 2.43709 hours remaining, 234.605469 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: 2194000 3978.3434 20379.6461 14559.6556 227.3930 -203436.3287 2599.5718 0.0000 0.0000 52073.5578 -109618.1610 299.2675 -161691.7188 -109253.5866 299.2868 -297.4492 -269.6726 761288.7311 7.7094 7.5770 PRESSURE: 2194200 -197.276 280.845 -248.588 280.844 32.9343 -156.736 -248.589 -156.737 -251.322 GPRESSURE: 2194200 -107.906 260.981 -273.216 192.064 52.8421 -104.854 -177.826 -4.9666 -293.324 PRESSAVG: 2194200 86.2702 -11.5622 6.37729 -11.5622 -64.0092 -35.6766 6.37731 -35.6766 -2.12036 GPRESSAVG: 2194200 86.0773 -12.3784 6.67812 -10.8738 -63.7803 -35.3013 3.33669 -32.7962 -2.42744 TIMING: 2194200 CPU: 6935.08, 0.00312255/step Wall: 6935.08, 0.00312255/step, 2.43368 hours remaining, 234.605469 MB of memory in use. ENERGY: 2194200 3985.9140 20724.4731 14526.9547 240.4255 -203217.2083 2196.1210 0.0000 0.0000 51908.7579 -109634.5620 298.3203 -161543.3199 -109272.8382 298.5739 -138.5545 -116.1291 761261.3382 6.7135 6.6232 PRESSURE: 2194400 106.267 141.235 -239.554 141.234 279.787 63.9763 -239.554 63.9764 198.039 GPRESSURE: 2194400 234.582 174.593 -165.403 114.209 229.195 54.8952 -159.462 -162.57 201.753 PRESSAVG: 2194400 -8.77662 -34.7132 -28.085 -34.7132 -29.7889 -14.9657 -28.0849 -14.9657 15.6427 GPRESSAVG: 2194400 -8.06822 -34.7006 -28.9178 -33.4281 -30.2232 -15.6045 -28.5987 -16.3907 15.4031 TIMING: 2194400 CPU: 6935.71, 0.00313323/step Wall: 6935.71, 0.00313323/step, 2.44183 hours remaining, 234.605469 MB of memory in use. ENERGY: 2194400 3974.7584 20707.8150 14532.0500 250.1276 -203674.1960 2655.1196 0.0000 0.0000 51849.1095 -109705.2160 297.9775 -161554.3255 -109349.3267 298.5891 194.6978 221.8433 758622.9631 -7.6410 -7.6295 PRESSURE: 2194600 66.8343 24.7326 -46.9453 24.7329 -454.423 -31.4543 -46.9441 -31.4529 -347.484 GPRESSURE: 2194600 72.5641 41.9128 22.3962 83.6961 -418.695 -76.0871 -76.8612 -29.7922 -320.338 PRESSAVG: 2194600 40.7209 41.4762 -49.5254 41.4762 -44.8439 43.0773 -49.5253 43.0773 13.7469 GPRESSAVG: 2194600 39.5587 42.7862 -50.6874 39.8796 -43.7778 42.2841 -47.3435 41.2897 13.9655 TIMING: 2194600 CPU: 6936.33, 0.00312819/step Wall: 6936.33, 0.00312819/step, 2.43773 hours remaining, 234.605469 MB of memory in use. ENERGY: 2194600 4042.2179 20589.7474 14498.6120 241.1491 -203453.8628 2444.8934 0.0000 0.0000 51845.1939 -109792.0490 297.9550 -161637.2429 -109429.1226 298.6808 -245.0243 -222.1564 759958.7460 3.2080 3.2488 PRESSURE: 2194800 -174.01 -136.932 138.01 -136.932 -66.5577 -9.32078 138.01 -9.32134 -479.396 GPRESSURE: 2194800 -107.009 -27.8885 142.007 -92.4418 -73.6161 -13.0091 169.548 176.725 -443.649 PRESSAVG: 2194800 34.1518 23.5251 33.4447 23.5251 -62.3943 -35.1766 33.4446 -35.1766 -28.4004 GPRESSAVG: 2194800 34.7199 23.6417 35.256 23.492 -62.3947 -34.9224 32.9856 -32.59 -28.8145 TIMING: 2194800 CPU: 6936.96, 0.00312421/step Wall: 6936.96, 0.00312421/step, 2.43445 hours remaining, 234.605469 MB of memory in use. ENERGY: 2194800 3886.7658 20633.6800 14478.8185 240.9085 -203325.4746 2192.5342 0.0000 0.0000 52021.2114 -109871.5563 298.9666 -161892.7676 -109496.8928 298.2617 -239.9876 -208.0914 760640.1703 -18.8810 -18.8298 PRESSURE: 2195000 309.57 -25.4511 -260.822 -25.451 67.8607 -94.337 -260.823 -94.3364 -231.042 GPRESSURE: 2195000 281.648 -63.9814 -326.132 -59.2424 83.1943 -182.874 -119.812 -129.559 -160.303 PRESSAVG: 2195000 9.85775 51.4747 -27.1902 51.4747 11.019 -15.6494 -27.1902 -15.6494 4.54839 GPRESSAVG: 2195000 10.7348 51.689 -28.9056 51.7604 9.82029 -14.7302 -25.3059 -18.6068 5.24786 TIMING: 2195000 CPU: 6937.58, 0.00312015/step Wall: 6937.58, 0.00312015/step, 2.43111 hours remaining, 234.605469 MB of memory in use. ENERGY: 2195000 3964.7797 20562.0342 14452.4399 243.1145 -203574.4355 2454.9306 0.0000 0.0000 51939.7747 -109957.3619 298.4986 -161897.1366 -109595.6816 297.9439 48.7964 68.1799 759728.3296 8.4751 8.6010 PRESSURE: 2195200 -674.427 9.08956 23.79 9.08948 14.5282 -202.315 23.79 -202.315 -216.256 GPRESSURE: 2195200 -540.15 11.8565 -0.0225425 -61.6444 -40.3009 -75.3752 -119.203 -142.607 -216.851 PRESSAVG: 2195200 -13.0991 10.6422 -1.17533 10.6422 -4.50405 19.6102 -1.17535 19.6101 -8.26864 GPRESSAVG: 2195200 -13.9358 9.58762 -2.40561 10.363 -4.24664 19.5365 -1.35231 19.5147 -7.2377 TIMING: 2195200 CPU: 6938.21, 0.0031218/step Wall: 6938.21, 0.0031218/step, 2.43223 hours remaining, 234.605469 MB of memory in use. ENERGY: 2195200 4066.6995 20557.8996 14522.4356 237.2914 -203313.9199 2343.6940 0.0000 0.0000 51783.3408 -109802.5590 297.5996 -161585.8999 -109445.1227 298.4264 -292.0515 -265.7673 761359.0017 -8.6239 -8.4734 PRESSURE: 2195400 -133.928 -116.302 -166.983 -116.302 188.67 14.6273 -166.985 14.6273 103.31 GPRESSURE: 2195400 -61.1748 -86.2845 -205.282 -26.8399 177.987 16.1638 -223.724 45.9607 133.575 PRESSAVG: 2195400 -54.7646 -2.41913 7.6636 -2.41916 64.6876 -42.6633 7.66358 -42.6633 20.5849 GPRESSAVG: 2195400 -54.1687 -4.54138 8.90933 -0.549774 63.8294 -43.7417 9.02233 -41.9163 20.7793 TIMING: 2195400 CPU: 6938.83, 0.00312672/step Wall: 6938.83, 0.00312672/step, 2.43589 hours remaining, 234.605469 MB of memory in use. ENERGY: 2195400 4036.5663 20569.2437 14512.7774 246.6410 -203499.1824 2261.9980 0.0000 0.0000 52234.5390 -109637.4171 300.1926 -161871.9561 -109272.8789 299.2424 52.6839 83.4624 759323.3412 10.1693 10.1467 PRESSURE: 2195600 112.152 229.955 -68.1619 229.955 248.048 220.587 -68.1616 220.587 20.7284 GPRESSURE: 2195600 205.053 154.627 -65.3752 270.474 245.286 241.402 -3.43444 113.051 19.952 PRESSAVG: 2195600 -7.13639 -7.03233 11.4311 -7.03231 52.979 15.664 11.4311 15.6639 4.78825 GPRESSAVG: 2195600 -6.92023 -6.22168 12.6759 -7.20473 53.6285 16.9817 10.2057 16.6273 3.97211 TIMING: 2195600 CPU: 6939.46, 0.0031451/step Wall: 6939.46, 0.0031451/step, 2.45003 hours remaining, 234.605469 MB of memory in use. ENERGY: 2195600 3949.0649 20594.6554 14504.3359 244.0174 -203485.7182 2603.2161 0.0000 0.0000 52022.7281 -109567.7004 298.9753 -161590.4285 -109206.3504 299.4530 126.9759 156.7639 759920.9368 16.8770 16.8935 PRESSURE: 2195800 -50.2365 258.294 -163.92 258.294 58.4213 -111.844 -163.92 -111.844 149.323 GPRESSURE: 2195800 22.3569 158.992 -181.162 230.739 84.7402 -134.511 -44.6306 30.0495 133.877 PRESSAVG: 2195800 -30.6188 3.04415 20.9235 3.04411 21.216 59.4303 20.9235 59.4303 9.49115 GPRESSAVG: 2195800 -31.8741 4.1528 19.9741 1.67886 22.2939 57.7892 21.3523 59.8038 10.0786 TIMING: 2195800 CPU: 6940.09, 0.00314693/step Wall: 6940.09, 0.00314693/step, 2.45128 hours remaining, 234.605469 MB of memory in use. ENERGY: 2195800 3946.9967 20404.9243 14418.8753 249.9389 -203423.6852 2411.4511 0.0000 0.0000 52319.1087 -109672.3901 300.6786 -161991.4989 -109298.4420 299.0338 52.5027 80.3248 761962.3856 0.0295 0.1661 PRESSURE: 2196000 -100.784 32.335 143.958 32.3349 81.3113 38.7334 143.958 38.7331 -207.867 GPRESSURE: 2196000 -36.8937 -20.7072 43.6495 38.8566 140.389 63.1587 144.613 -28.3989 -225.409 PRESSAVG: 2196000 -16.1107 -2.29541 30.8478 -2.29542 12.9929 -14.7319 30.8478 -14.7319 15.6916 GPRESSAVG: 2196000 -15.2508 -2.08494 29.5809 -3.19958 12.9285 -13.8119 31.5217 -14.7153 15.2821 TIMING: 2196000 CPU: 6940.72, 0.00313611/step Wall: 6940.72, 0.00313611/step, 2.44268 hours remaining, 234.605469 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: 2196000 3990.2801 20501.7302 14471.8977 237.8882 -203396.4467 2402.6525 0.0000 0.0000 52023.4999 -109768.4981 298.9798 -161791.9980 -109404.2561 298.5755 -75.7799 -40.6378 760419.8724 4.1913 4.3199 PRESSURE: 2196200 380.375 -119.363 -138.87 -119.362 -127.119 -41.964 -138.869 -41.9648 -145.217 GPRESSURE: 2196200 368.935 7.02726 -206.146 -61.2768 -93.9616 -102.016 -70.7006 -44.7216 -94.7391 PRESSAVG: 2196200 21.8857 -0.133616 22.2766 -0.133663 -2.75438 -19.3837 22.2766 -19.3837 5.46546 GPRESSAVG: 2196200 22.2163 0.265688 22.0253 -1.0789 -2.87181 -18.0853 21.7051 -20.1274 5.3883 TIMING: 2196200 CPU: 6941.34, 0.0031281/step Wall: 6941.34, 0.0031281/step, 2.43627 hours remaining, 234.605469 MB of memory in use. ENERGY: 2196200 3958.0716 20527.6581 14479.5663 238.3850 -203449.6728 2684.6639 0.0000 0.0000 52067.7442 -109493.5838 299.2340 -161561.3280 -109126.8497 298.8499 36.0129 60.0781 760548.7406 8.1989 8.2443 LDB: ============= START OF LOAD BALANCING ============== 6953.87 LDB: ============== END OF LOAD BALANCING =============== 6953.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6953.88 LDB: ============= START OF LOAD BALANCING ============== 6954.19 LDB: Largest compute 7050 load 0.029858 is 15.3% of average load 0.195451 LDB: Average compute 0.004406 is 2.3% of average load 0.195451 LDB: TIME 6954.19 LOAD: AVG 0.195451 MAX 0.22152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 6954.19 LOAD: AVG 0.195451 MAX 0.22152 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 6954.19 LOAD: AVG 0.195451 MAX 0.218125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 6954.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6954.2 PRESSURE: 2196400 -225.833 -93.8143 -110.346 -93.814 -53.6528 177.834 -110.345 177.834 -221.725 GPRESSURE: 2196400 -163.634 -98.4142 -55.7978 16.8418 -20.4026 172.829 -55.0482 167.604 -236.338 PRESSAVG: 2196400 -28.0655 -2.46208 23.4573 -2.46216 -19.8434 -21.5073 23.4573 -21.5074 -6.30567 GPRESSAVG: 2196400 -28.3451 -3.51079 25.7695 -2.13562 -19.9128 -20.4539 23.5529 -22.5155 -6.32598 TIMING: 2196400 CPU: 6941.98, 0.00319937/step Wall: 6941.98, 0.00319937/step, 2.4916 hours remaining, 234.679688 MB of memory in use. ENERGY: 2196400 3986.7922 20446.8746 14497.1098 268.1559 -203164.9553 2432.2800 0.0000 0.0000 52226.0465 -109307.6964 300.1438 -161533.7429 -108941.8768 298.9895 -167.0705 -140.1250 761427.4043 -18.0715 -18.1946 PRESSURE: 2196600 27.9523 65.1879 43.1991 65.1876 363.238 1.89107 43.1999 1.8918 266.412 GPRESSURE: 2196600 80.7952 142.695 -54.5609 64.8082 396.094 -95.7835 -64.0479 81.2543 246.966 PRESSAVG: 2196600 -62.2386 36.9877 15.5332 36.9878 0.923221 6.00615 15.5332 6.00621 10.3906 GPRESSAVG: 2196600 -63.0717 36.3322 13.1662 37.0377 1.93003 3.53364 14.7991 7.67864 10.1739 TIMING: 2196600 CPU: 6942.61, 0.00312869/step Wall: 6942.61, 0.00312869/step, 2.43638 hours remaining, 235.210938 MB of memory in use. ENERGY: 2196600 3919.7125 20633.7740 14443.5483 233.4262 -203509.8555 2886.4496 0.0000 0.0000 52082.2593 -109310.6855 299.3175 -161392.9448 -108951.4860 298.8134 219.2006 241.2851 761543.8022 -16.9750 -16.9893 PRESSURE: 2196800 9.60281 183.662 20.7173 183.663 89.1972 -87.3317 20.7169 -87.3311 326.227 GPRESSURE: 2196800 28.7083 67.7175 13.6948 115.895 204.886 -49.0286 -32.465 16.4256 273.278 PRESSAVG: 2196800 0.148002 -8.42987 4.04954 -8.42972 0.0463035 -11.5779 4.04952 -11.578 -22.7826 GPRESSAVG: 2196800 0.525253 -9.41543 4.58653 -8.85293 0.40458 -13.3226 2.27084 -9.14327 -23.2558 TIMING: 2196800 CPU: 6943.23, 0.00312696/step Wall: 6943.23, 0.00312696/step, 2.43486 hours remaining, 235.210938 MB of memory in use. ENERGY: 2196800 3930.5312 20769.1731 14410.7786 265.9353 -203174.4628 2246.5000 0.0000 0.0000 52046.4064 -109505.1383 299.1114 -161551.5447 -109150.9268 299.1632 141.6756 168.9576 760562.8849 -7.5294 -7.4420 PRESSURE: 2197000 484.341 113.982 -150.889 113.982 -265.702 30.5132 -150.89 30.5137 205.762 GPRESSURE: 2197000 417.746 226.346 -144.733 206.127 -114.998 -0.332961 48.0385 -86.8605 211.784 PRESSAVG: 2197000 57.0616 -27.2938 -7.55704 -27.2937 -30.4235 6.22654 -7.55705 6.22646 -20.5014 GPRESSAVG: 2197000 56.9242 -26.0135 -5.9893 -27.1647 -30.9152 8.2501 -6.37729 2.27779 -19.5408 TIMING: 2197000 CPU: 6943.86, 0.0031197/step Wall: 6943.86, 0.0031197/step, 2.42903 hours remaining, 235.210938 MB of memory in use. ENERGY: 2197000 3967.5751 20548.2170 14480.8168 250.0790 -203493.3140 2701.1199 0.0000 0.0000 51972.4614 -109573.0448 298.6865 -161545.5062 -109216.6188 298.8112 141.4672 171.5110 760012.1403 2.0456 2.1561 PRESSURE: 2197200 -235.013 67.7347 -135.957 67.7342 -281.566 183.491 -135.958 183.49 135.168 GPRESSURE: 2197200 -167.124 55.4092 -219.519 40.2751 -218.572 103.618 -157.504 142.355 84.3443 PRESSAVG: 2197200 -34.9252 -6.55534 -38.1109 -6.55539 21.2949 16.0287 -38.1108 16.0286 -6.01314 GPRESSAVG: 2197200 -34.0843 -5.71926 -37.4215 -5.43153 20.0972 15.2236 -39.8861 17.3071 -5.21477 TIMING: 2197200 CPU: 6944.48, 0.0031268/step Wall: 6944.48, 0.0031268/step, 2.43439 hours remaining, 235.210938 MB of memory in use. ENERGY: 2197200 4092.7206 20347.1428 14454.2393 257.7247 -203221.7722 2468.0867 0.0000 0.0000 51902.3202 -109699.5378 298.2833 -161601.8580 -109339.3059 298.6749 -127.1371 -100.4508 760498.8605 -6.5478 -6.4006 PRESSURE: 2197400 -207.173 -240.863 80.3131 -240.862 -144.329 -14.9423 80.3128 -14.9428 177.798 GPRESSURE: 2197400 -142.967 -303.519 109.673 -151.673 -109.513 51.3265 37.1052 -81.1633 160.632 PRESSAVG: 2197400 34.7255 50.5912 -13.8113 50.5912 -15.4459 14.6847 -13.8113 14.6848 -2.89342 GPRESSAVG: 2197400 36.0238 49.7342 -14.2778 49.5618 -13.8146 14.4055 -11.3391 14.6275 -5.29345 TIMING: 2197400 CPU: 6945.11, 0.00312082/step Wall: 6945.11, 0.00312082/step, 2.42956 hours remaining, 235.210938 MB of memory in use. ENERGY: 2197400 4037.2918 20460.0681 14491.8124 237.3331 -203522.1773 2574.0102 0.0000 0.0000 52132.8241 -109588.8376 299.6081 -161721.6617 -109222.5687 299.0135 -57.9015 -30.6160 759741.1446 5.4620 5.6386 PRESSURE: 2197600 -119.014 8.20192 -54.1931 8.20232 -362.429 75.5517 -54.194 75.5514 -247.142 GPRESSURE: 2197600 -44.9943 73.4168 5.91576 19.3554 -341.262 25.7927 -20.6198 91.7461 -261.794 PRESSAVG: 2197600 19.6562 34.3371 -7.70946 34.3371 -23.1021 5.63409 -7.70949 5.63405 -29.4937 GPRESSAVG: 2197600 18.9639 34.468 -7.66459 35.252 -23.4029 6.95446 -9.17783 4.4035 -28.4905 TIMING: 2197600 CPU: 6945.73, 0.00312411/step Wall: 6945.73, 0.00312411/step, 2.43194 hours remaining, 235.210938 MB of memory in use. ENERGY: 2197600 3981.2034 20459.4538 14388.5167 244.1681 -203310.3423 2255.6113 0.0000 0.0000 52189.3889 -109792.0002 299.9331 -161981.3891 -109425.3298 299.2045 -242.8614 -216.0166 761212.3898 -10.9799 -10.9765 PRESSURE: 2197800 212.016 67.617 -103.769 67.6165 -12.5903 5.95241 -103.768 5.95333 96.3736 GPRESSURE: 2197800 160.615 95.3868 -136.167 125.391 1.35751 30.6205 -115.408 87.0912 216.475 PRESSAVG: 2197800 12.0951 9.15453 31.9553 9.1545 -54.9754 0.685454 31.9553 0.685483 11.5196 GPRESSAVG: 2197800 11.1791 9.95306 31.9267 7.03862 -54.6689 0.358534 32.2661 4.04027 12.6234 TIMING: 2197800 CPU: 6946.36, 0.00313342/step Wall: 6946.36, 0.00313342/step, 2.43902 hours remaining, 235.210938 MB of memory in use. ENERGY: 2197800 3880.3588 20453.3579 14417.9586 235.6013 -203599.5249 2651.6897 0.0000 0.0000 51943.7192 -110016.8393 298.5213 -161960.5585 -109651.3653 298.1136 98.5996 126.1492 760721.2547 -10.4536 -10.2888 PRESSURE: 2198000 296.985 72.1484 -87.489 72.1486 -210.525 266.601 -87.4886 266.601 -188.801 GPRESSURE: 2198000 267.736 50.1849 -82.4205 75.3769 -115.971 200.811 -232.744 262.394 -158.59 PRESSAVG: 2198000 -4.75557 37.6356 19.0966 37.6355 20.9184 27.0181 19.0966 27.0181 9.51183 GPRESSAVG: 2198000 -4.80954 37.6624 18.7637 39.7062 21.7382 24.7417 21.3143 24.9603 8.25984 TIMING: 2198000 CPU: 6946.98, 0.0031275/step Wall: 6946.98, 0.0031275/step, 2.43424 hours remaining, 235.210938 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: 2198000 3939.5674 20492.7866 14407.4475 241.7064 -203396.5753 2677.1595 0.0000 0.0000 51728.7095 -109909.1984 297.2856 -161637.9079 -109549.8902 298.1307 -34.1137 -2.2752 761012.5153 8.5582 8.3962 PRESSURE: 2198200 353.725 179.439 -114.125 179.439 190.38 83.4289 -114.125 83.4282 354.086 GPRESSURE: 2198200 329.134 64.4253 -83.8093 93.2701 266.45 18.3404 -125.887 93.9679 395.001 PRESSAVG: 2198200 8.81921 1.95238 19.7496 1.9524 12.8469 5.59778 19.7496 5.59773 -21.0041 GPRESSAVG: 2198200 9.35065 1.50701 20.5565 2.40565 12.6744 7.73672 19.5139 5.12231 -21.6508 TIMING: 2198200 CPU: 6947.61, 0.00313306/step Wall: 6947.61, 0.00313306/step, 2.43839 hours remaining, 235.210938 MB of memory in use. ENERGY: 2198200 3907.7336 20488.2913 14444.4539 252.3756 -203649.3022 2730.0133 0.0000 0.0000 51918.9120 -109907.5224 298.3787 -161826.4344 -109551.4153 297.9401 299.3969 330.1949 758907.3813 0.2206 0.1248 PRESSURE: 2198400 181.74 148.831 69.9128 148.831 188.597 88.0543 69.9134 88.0521 -171.546 GPRESSURE: 2198400 193.95 125.311 58.9577 86.4525 247.788 25.2342 -27.0817 27.7482 -166.867 PRESSAVG: 2198400 -6.32973 -32.6627 -71.4691 -32.6628 3.56551 -15.424 -71.469 -15.424 23.4256 GPRESSAVG: 2198400 -6.40945 -32.0414 -72.6415 -34.0066 2.9665 -14.7786 -73.3852 -16.6611 24.2664 TIMING: 2198400 CPU: 6948.23, 0.0031168/step Wall: 6948.23, 0.0031168/step, 2.42556 hours remaining, 235.210938 MB of memory in use. ENERGY: 2198400 3963.1009 20560.6455 14435.4961 260.1067 -203953.1666 2988.0117 0.0000 0.0000 51896.9791 -109848.8267 298.2527 -161745.8058 -109492.8039 298.3756 66.2635 91.6237 759925.6161 6.8871 6.9411 PRESSURE: 2198600 244.339 -314.798 -97.8106 -314.798 -62.4804 79.0654 -97.8114 79.0662 144.515 GPRESSURE: 2198600 283.542 -164.768 -205.593 -220.372 17.7311 128.868 4.65737 -2.20425 122.542 PRESSAVG: 2198600 -32.4202 -37.9939 -67.5 -37.994 -10.2634 66.0486 -67.4999 66.0487 -2.14719 GPRESSAVG: 2198600 -33.2766 -40.354 -67.9769 -36.5536 -9.51827 65.9006 -67.7493 66.0694 -1.72361 TIMING: 2198600 CPU: 6948.86, 0.00312125/step Wall: 6948.86, 0.00312125/step, 2.42885 hours remaining, 235.210938 MB of memory in use. ENERGY: 2198600 4027.7878 20512.1117 14481.0377 247.4004 -203319.0777 2632.9314 0.0000 0.0000 51708.1570 -109709.6516 297.1675 -161417.8086 -109360.0354 298.3297 108.7913 141.2717 761517.9459 -14.9436 -14.8395 PRESSURE: 2198800 -123.553 -134.311 126.435 -134.311 -77.8641 51.8816 126.435 51.8819 -255.634 GPRESSURE: 2198800 -160.336 -97.2621 106.845 -113.838 -92.5943 53.4712 67.9496 111.476 -135.114 PRESSAVG: 2198800 9.51058 26.1202 -47.8377 26.1202 -16.868 -29.2795 -47.8377 -29.2795 -0.633695 GPRESSAVG: 2198800 8.71833 25.7879 -46.7326 27.9515 -17.7523 -29.2605 -46.8622 -29.6742 0.49819 TIMING: 2198800 CPU: 6949.49, 0.00314045/step Wall: 6949.49, 0.00314045/step, 2.44362 hours remaining, 235.210938 MB of memory in use. ENERGY: 2198800 4018.1929 20355.9381 14544.3006 247.4499 -203271.0160 2566.0884 0.0000 0.0000 51611.3819 -109927.6641 296.6113 -161539.0460 -109577.8825 297.8605 -152.3504 -129.3481 761522.6543 -2.6637 -2.8452 PRESSURE: 2199000 237.655 36.424 142.174 36.4236 -345.959 -13.0333 142.174 -13.0353 92.0335 GPRESSURE: 2199000 224.415 5.69784 194.719 1.13951 -296.594 -125.595 80.0968 24.4126 139.291 PRESSAVG: 2199000 25.813 -30.6639 10.3983 -30.6638 -60.5498 1.1021 10.3983 1.10212 4.57998 GPRESSAVG: 2199000 26.9976 -29.5996 10.6476 -30.4295 -60.8959 0.809917 7.30202 2.60189 3.49316 TIMING: 2199000 CPU: 6950.11, 0.00312416/step Wall: 6950.11, 0.00312416/step, 2.43077 hours remaining, 235.210938 MB of memory in use. ENERGY: 2199000 4001.1593 20405.0404 14463.7247 246.2988 -203457.7640 2736.9293 0.0000 0.0000 52087.8493 -109516.7621 299.3496 -161604.6114 -109154.8711 298.7723 -5.4237 22.3703 763438.8632 -10.0523 -10.1350 PRESSURE: 2199200 -194.497 47.6575 -121.12 47.6574 106.18 88.6513 -121.119 88.6497 -54.074 GPRESSURE: 2199200 -128.045 167.076 -123.563 96.8764 74.859 176.953 -100.492 101.143 14.9859 PRESSAVG: 2199200 -12.8897 8.48419 5.42399 8.48416 3.64889 45.9583 5.42391 45.9584 1.40115 GPRESSAVG: 2199200 -11.6741 6.93121 5.30839 6.56804 3.39455 46.1736 7.76432 46.2729 0.697645 TIMING: 2199200 CPU: 6950.74, 0.00312748/step Wall: 6950.74, 0.00312748/step, 2.43318 hours remaining, 235.210938 MB of memory in use. ENERGY: 2199200 4046.0210 20614.2448 14421.0351 245.3804 -203321.0940 2691.5661 0.0000 0.0000 51834.1358 -109468.7109 297.8915 -161302.8467 -109126.3516 299.0069 -47.4636 -12.7334 761069.9900 -2.6132 -2.5273 PRESSURE: 2199400 22.8429 -138.622 -321.345 -138.622 112.298 -140.573 -321.345 -140.573 73.114 GPRESSURE: 2199400 149.031 -141.554 -397.956 -197.602 130.89 -86.3993 -180.714 -171.942 32.5931 PRESSAVG: 2199400 5.36347 -21.2714 -16.5184 -21.2714 -0.327229 -0.824262 -16.5184 -0.824283 -10.6683 GPRESSAVG: 2199400 4.8571 -20.5318 -16.7184 -20.672 -0.468047 0.0459741 -18.9419 0.131163 -10.1677 TIMING: 2199400 CPU: 6951.36, 0.00313033/step Wall: 6951.36, 0.00313033/step, 2.43522 hours remaining, 235.210938 MB of memory in use. ENERGY: 2199400 3973.3047 20393.0850 14361.8909 255.1132 -203550.8285 2783.2322 0.0000 0.0000 52123.1191 -109661.0835 299.5523 -161784.2026 -109285.2718 298.5144 69.4185 104.1714 761632.5959 -1.8774 -1.9262 PRESSURE: 2199600 -206.254 83.7048 45.839 83.7055 64.4993 -97.5169 45.8397 -97.5187 -154.6 GPRESSURE: 2199600 -161.607 22.9052 36.6124 139.687 66.2863 -145.403 159.446 -10.6882 -109.651 PRESSAVG: 2199600 -23.4434 -36.5191 -14.7278 -36.5191 37.3765 -23.4969 -14.7278 -23.4969 -0.403081 GPRESSAVG: 2199600 -23.5426 -36.1757 -15.431 -35.7323 37.7257 -24.2595 -12.304 -24.3558 -0.915584 TIMING: 2199600 CPU: 6951.99, 0.00314192/step Wall: 6951.99, 0.00314192/step, 2.44406 hours remaining, 235.210938 MB of memory in use. ENERGY: 2199600 4030.2673 20386.0102 14443.8280 253.3376 -203056.0590 2497.8614 0.0000 0.0000 51978.2474 -109466.5072 298.7197 -161444.7546 -109105.3262 298.6231 -98.7849 -68.3242 763057.8744 4.5100 4.4225 PRESSURE: 2199800 337.001 -32.6599 318.736 -32.6609 95.2018 -84.9556 318.736 -84.9544 305.107 GPRESSURE: 2199800 268.35 94.3411 219.823 56.7852 137.019 -49.0386 172.224 -103.672 394.776 PRESSAVG: 2199800 -62.0263 -28.6811 -14.7926 -28.6812 96.4734 -24.6139 -14.7926 -24.6139 5.33202 GPRESSAVG: 2199800 -62.8787 -27.8911 -14.9176 -28.5533 97.1697 -24.7806 -15.0179 -25.9007 5.84815 TIMING: 2199800 CPU: 6952.62, 0.00313805/step Wall: 6952.62, 0.00313805/step, 2.44088 hours remaining, 235.210938 MB of memory in use. ENERGY: 2199800 3986.1225 20361.7220 14385.2113 256.0493 -203465.7034 2863.4175 0.0000 0.0000 51980.4757 -109632.7051 298.7325 -161613.1808 -109273.4764 298.8600 245.7699 266.7148 762161.7185 13.2597 13.3797 PRESSURE: 2200000 34.6844 120.487 -124.442 120.486 41.9625 33.6095 -124.443 33.61 -220.217 GPRESSURE: 2200000 19.7376 135.591 -216.284 28.5421 8.37202 10.7895 40.5371 55.3296 -87.2731 PRESSAVG: 2200000 -57.6867 25.3995 55.7069 25.3995 36.2789 -7.66664 55.7069 -7.66666 -16.9565 GPRESSAVG: 2200000 -57.5233 24.4194 54.1515 24.6541 35.3663 -7.94545 54.9145 -6.04313 -16.4523 TIMING: 2200000 CPU: 6953.25, 0.00314789/step Wall: 6953.25, 0.00314789/step, 2.44836 hours remaining, 235.210938 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: 2200000 4054.5269 20483.9134 14474.2211 244.6602 -203457.7603 2810.3447 0.0000 0.0000 51839.5033 -109550.5907 297.9223 -161390.0941 -109196.3583 298.6755 -47.8567 -19.7212 762278.2709 -12.7881 -12.8698 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 -387.495 -123.215 337.154 -123.215 -664.717 219.77 337.154 219.77 60.8457 GPRESSURE: 2200200 -391.639 -191.377 327.696 -124.302 -588.311 263.702 365.745 298.974 72.4422 PRESSAVG: 2200200 34.3663 -3.97406 53.2742 -3.97404 11.6332 10.9224 53.2742 10.9224 15.5208 GPRESSAVG: 2200200 34.6535 -3.59696 54.666 -3.49795 11.4134 11.9543 54.1356 13.4828 15.5362 TIMING: 2200200 CPU: 6953.89, 0.00323069/step Wall: 6953.89, 0.00323069/step, 2.51258 hours remaining, 235.210938 MB of memory in use. ENERGY: 2200200 3974.6706 20419.3323 14446.3746 259.2277 -202903.1866 2436.2314 0.0000 0.0000 51686.4281 -109680.9219 297.0426 -161367.3500 -109327.0015 298.4941 -330.4551 -302.5026 762573.2269 20.5067 20.5344 LDB: ============= START OF LOAD BALANCING ============== 6966.43 LDB: ============== END OF LOAD BALANCING =============== 6966.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6966.43 LDB: ============= START OF LOAD BALANCING ============== 6966.74 LDB: Largest compute 7031 load 0.031301 is 16.0% of average load 0.195431 LDB: Average compute 0.004367 is 2.2% of average load 0.195431 LDB: TIME 6966.74 LOAD: AVG 0.195431 MAX 0.217347 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 6966.75 LOAD: AVG 0.195431 MAX 0.217347 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 6966.75 LOAD: AVG 0.195431 MAX 0.217347 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 6966.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6966.75 PRESSURE: 2200400 -64.0284 -25.8957 -9.38675 -25.8958 71.6342 144.108 -9.38666 144.107 -173.017 GPRESSURE: 2200400 14.9397 10.5986 -55.6786 -158.58 52.6215 133.87 -55.6272 68.9848 -168.978 PRESSAVG: 2200400 75.1896 -21.1612 36.7767 -21.1612 -48.8936 -0.748706 36.7766 -0.748701 -7.36459 GPRESSAVG: 2200400 74.2171 -20.9926 37.1512 -21.5024 -48.105 -1.95308 38.4471 -5.69946 -7.71261 TIMING: 2200400 CPU: 6954.53, 0.0032015/step Wall: 6954.53, 0.0032015/step, 2.4897 hours remaining, 237.253906 MB of memory in use. ENERGY: 2200400 3975.4138 20473.1673 14478.4027 274.9032 -203552.8975 2701.3780 0.0000 0.0000 52138.2205 -109511.4119 299.6391 -161649.6324 -109152.2646 299.0053 -55.1370 -33.8055 761146.4173 6.3105 6.1332 PRESSURE: 2200600 -144.73 -116.661 -36.5192 -116.662 -58.417 -58.5357 -36.5183 -58.5348 -428.373 GPRESSURE: 2200600 -110.835 -128.018 -71.2492 -217.96 -59.4616 -168.645 -0.84573 45.0074 -390.996 PRESSAVG: 2200600 25.2104 -51.9906 46.3733 -51.9907 0.469914 32.8618 46.3733 32.8618 4.38116 GPRESSAVG: 2200600 25.3375 -52.2255 47.0578 -53.0776 1.11455 32.5017 45.1164 34.6055 3.94414 TIMING: 2200600 CPU: 6955.16, 0.00314666/step Wall: 6955.16, 0.00314666/step, 2.44688 hours remaining, 237.378906 MB of memory in use. ENERGY: 2200600 3916.5328 20500.9350 14446.8730 250.6822 -202843.7633 2125.5661 0.0000 0.0000 51970.4278 -109632.7464 298.6748 -161603.1742 -109263.8639 298.8265 -210.5067 -187.0976 761291.2625 10.0205 10.1320 PRESSURE: 2200800 139.467 83.4801 -124.94 83.4787 -338.569 -9.67501 -124.94 -9.67489 -135.4 GPRESSURE: 2200800 259.363 37.2112 -283.264 5.35012 -315.668 -49.4578 -155.729 -141.139 -162.045 PRESSAVG: 2200800 27.2506 -13.2018 -25.1523 -13.2017 -21.5205 -41.6657 -25.1522 -41.6656 16.5697 GPRESSAVG: 2200800 28.1804 -14.316 -27.2142 -12.7783 -21.9914 -40.6624 -25.0305 -40.1339 16.2437 TIMING: 2200800 CPU: 6955.79, 0.0031283/step Wall: 6955.79, 0.0031283/step, 2.43243 hours remaining, 237.378906 MB of memory in use. ENERGY: 2200800 4064.9605 20429.3181 14482.1314 265.5523 -203373.7618 2560.8931 0.0000 0.0000 52015.4374 -109555.4689 298.9334 -161570.9063 -109195.5615 299.1624 -111.5004 -72.7831 760860.1349 7.4333 7.4776 PRESSURE: 2201000 -216.34 97.3409 158.069 97.3403 -361.929 60.4753 158.069 60.4759 -501.306 GPRESSURE: 2201000 -181.83 147.91 76.3009 112.912 -255.478 145.32 110.12 141.238 -546.634 PRESSAVG: 2201000 22.1056 23.879 0.465041 23.879 -1.52759 -38.8316 0.465056 -38.8316 9.12276 GPRESSAVG: 2201000 22.3995 23.5659 2.38561 24.0343 -2.3914 -39.0925 0.36848 -39.5191 9.88716 TIMING: 2201000 CPU: 6956.42, 0.00313477/step Wall: 6956.42, 0.00313477/step, 2.43729 hours remaining, 237.378906 MB of memory in use. ENERGY: 2201000 4080.4205 20481.3937 14445.8207 233.9776 -203223.7259 2307.5641 0.0000 0.0000 52208.6658 -109465.8835 300.0439 -161674.5493 -109117.2375 299.1534 -359.8587 -327.9807 761680.6336 9.9003 9.9651 PRESSURE: 2201200 -58.2654 -53.8517 -160.578 -53.8523 -280.62 201.094 -160.578 201.095 -63.5358 GPRESSURE: 2201200 -77.6673 -170.194 -158.937 -137.051 -165.769 184.548 -90.5702 139.699 -86.1952 PRESSAVG: 2201200 31.4297 26.522 -8.28974 26.522 -24.2413 -43.0398 -8.2897 -43.0398 22.54 GPRESSAVG: 2201200 31.2306 27.4693 -8.543 26.2726 -23.2606 -43.1845 -8.72573 -43.4444 21.4855 TIMING: 2201200 CPU: 6957.05, 0.0031452/step Wall: 6957.05, 0.0031452/step, 2.44522 hours remaining, 237.449219 MB of memory in use. ENERGY: 2201200 3968.4000 20614.5914 14455.8371 231.4074 -203023.8658 2594.1178 0.0000 0.0000 51832.5171 -109326.9950 297.8822 -161159.5121 -108963.8336 299.1842 -134.1403 -109.8772 763128.6160 9.9095 9.8185 PRESSURE: 2201400 23.8097 -202.729 33.263 -202.73 197.666 -287.861 33.263 -287.86 -244.283 GPRESSURE: 2201400 54.8924 -169.08 -12.77 -333.904 171.088 -245.734 100.897 -272.659 -178.417 PRESSAVG: 2201400 3.71923 -69.4176 -39.2373 -69.4176 0.625763 -22.8888 -39.2373 -22.8889 -20.826 GPRESSAVG: 2201400 3.69607 -70.1116 -38.9735 -67.7966 0.587544 -23.5757 -37.2117 -21.5182 -20.863 TIMING: 2201400 CPU: 6957.67, 0.00313336/step Wall: 6957.67, 0.00313336/step, 2.43584 hours remaining, 237.449219 MB of memory in use. ENERGY: 2201400 3973.5011 20631.0009 14485.3236 273.3623 -203378.7842 2501.3844 0.0000 0.0000 52158.5990 -109355.6128 299.7562 -161514.2119 -108988.5219 299.6421 -7.6022 15.8546 761678.7151 -5.4937 -5.5265 PRESSURE: 2201600 91.7843 -102.232 -137.609 -102.231 -228.415 -103.724 -137.609 -103.723 -153.267 GPRESSURE: 2201600 87.8609 -45.7727 -131.983 -136.895 -150.79 -113.467 -43.4358 -120.799 -164.155 PRESSAVG: 2201600 4.64853 -55.8031 -72.4537 -55.8031 -45.4124 -30.5384 -72.4536 -30.5384 6.90093 GPRESSAVG: 2201600 4.73861 -55.4582 -72.096 -55.7899 -45.45 -29.6458 -74.5637 -33.5478 7.09349 TIMING: 2201600 CPU: 6958.3, 0.00312701/step Wall: 6958.3, 0.00312701/step, 2.43073 hours remaining, 237.449219 MB of memory in use. ENERGY: 2201600 3995.9298 20586.8031 14404.1497 241.7035 -203580.0601 2590.0410 0.0000 0.0000 52324.4124 -109437.0206 300.7091 -161761.4331 -109089.3514 299.2409 -96.6326 -75.6948 761457.2937 -11.2877 -11.2060 PRESSURE: 2201800 -465.861 228.465 214.347 228.464 20.4873 -191.121 214.346 -191.121 -139.318 GPRESSURE: 2201800 -387.475 223.116 201.024 208.542 31.1564 -216.655 56.6515 -301.949 -143.69 PRESSAVG: 2201800 2.49487 7.92641 -33.1519 7.92636 -5.97224 -62.0353 -33.152 -62.0354 23.938 GPRESSAVG: 2201800 2.67636 7.96615 -34.2104 7.54788 -5.9275 -62.4913 -31.8206 -62.065 24.1658 TIMING: 2201800 CPU: 6958.92, 0.00311566/step Wall: 6958.92, 0.00311566/step, 2.42173 hours remaining, 237.449219 MB of memory in use. ENERGY: 2201800 3975.1901 20496.7136 14430.5002 251.1801 -203549.4828 2809.4161 0.0000 0.0000 52107.0263 -109479.4564 299.4598 -161586.4827 -109116.8785 299.2104 -194.8972 -166.6694 761213.3200 6.8202 6.9715 PRESSURE: 2202000 182.667 -9.69342 -230.194 -9.69421 -162.257 41.5291 -230.194 41.5291 240.2 GPRESSURE: 2202000 309.256 1.02736 -340.082 -94.6033 -215.064 143.688 -70.7566 33.4276 232.671 PRESSAVG: 2202000 8.10265 46.2124 -42.3974 46.2125 16.1776 23.2608 -42.3974 23.2608 -12.8802 GPRESSAVG: 2202000 8.81899 47.1564 -42.2922 46.5636 14.6078 21.3398 -42.1711 24.4375 -12.3496 TIMING: 2202000 CPU: 6959.54, 0.00311742/step Wall: 6959.54, 0.00311742/step, 2.42293 hours remaining, 237.449219 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: 2202000 4012.8852 20610.1130 14489.8885 249.6145 -203499.9116 2471.0978 0.0000 0.0000 52131.1361 -109535.1765 299.5984 -161666.3126 -109171.5124 299.0172 86.8702 108.9545 761611.7180 3.8000 3.6924 PRESSURE: 2202200 -120.714 -56.1561 124.083 -56.1559 -136.702 -110.958 124.082 -110.959 -572.794 GPRESSURE: 2202200 -128.52 -115.76 44.4719 -21.2419 -93.8893 -79.681 143.527 -221.047 -516.996 PRESSAVG: 2202200 -2.0463 -21.5446 -17.4501 -21.5446 -12.9133 -17.3919 -17.45 -17.3919 2.16088 GPRESSAVG: 2202200 -2.8596 -23.6709 -17.5951 -20.4372 -11.4195 -15.3945 -17.5621 -15.5746 2.22625 TIMING: 2202200 CPU: 6960.17, 0.00311956/step Wall: 6960.17, 0.00311956/step, 2.42442 hours remaining, 237.449219 MB of memory in use. ENERGY: 2202200 3992.5785 20344.2912 14372.6687 226.3577 -203053.9520 2282.3151 0.0000 0.0000 52117.1833 -109718.5575 299.5182 -161835.7408 -109357.4576 298.7197 -276.7366 -246.4684 761223.7750 -4.2662 -4.0176 PRESSURE: 2202400 -168.817 71.2074 77.4746 71.2074 141.267 70.7569 77.4743 70.7556 -6.90353 GPRESSURE: 2202400 -132.568 71.3319 170.924 -30.7537 151.998 42.2013 87.7415 189.693 19.8 PRESSAVG: 2202400 -20.7037 2.26654 67.7931 2.26655 32.765 0.344025 67.7931 0.343948 -3.69035 GPRESSAVG: 2202400 -20.76 1.35522 68.7525 2.36988 33.8023 0.930623 65.9972 -0.173582 -4.2205 TIMING: 2202400 CPU: 6960.79, 0.00311999/step Wall: 6960.79, 0.00311999/step, 2.42458 hours remaining, 237.449219 MB of memory in use. ENERGY: 2202400 3956.0178 20529.3944 14456.2776 239.1046 -203860.0332 2942.5910 0.0000 0.0000 51864.8447 -109871.8032 298.0680 -161736.6479 -109522.7302 298.3222 -11.4845 13.0767 761693.2018 2.7903 2.9406 PRESSURE: 2202600 139.265 -57.8003 -237.244 -57.8007 -11.9093 -40.4942 -237.245 -40.4937 294.623 GPRESSURE: 2202600 147.767 -0.148423 -191.475 23.7799 82.7706 -33.6464 -142.248 0.215591 246.84 PRESSAVG: 2202600 10.6327 23.4917 -2.29812 23.4917 9.89995 25.6916 -2.29815 25.6916 -10.2202 GPRESSAVG: 2202600 9.72077 25.0283 -2.15693 21.6147 10.0096 22.2781 -0.432896 27.0721 -9.11076 TIMING: 2202600 CPU: 6961.42, 0.00312708/step Wall: 6961.42, 0.00312708/step, 2.42992 hours remaining, 237.449219 MB of memory in use. ENERGY: 2202600 3946.5285 20522.7237 14482.9878 236.4531 -204077.6738 2867.8781 0.0000 0.0000 52180.0354 -109841.0673 299.8794 -162021.1027 -109469.2001 298.7628 140.6597 159.1258 760316.0458 3.4375 3.5399 PRESSURE: 2202800 300.699 -38.5311 -90.9553 -38.5326 320.872 -197.589 -90.9548 -197.589 -24.9196 GPRESSURE: 2202800 364.141 -92.9382 -158.72 -49.332 249.71 -169.11 -171.812 -274.534 52.3516 PRESSAVG: 2202800 -49.4964 -24.3493 -10.9682 -24.3493 30.3195 30.9591 -10.9682 30.9591 -3.61851 GPRESSAVG: 2202800 -47.955 -23.8247 -11.5599 -23.8664 27.5887 33.13 -10.572 30.0724 -2.2089 TIMING: 2202800 CPU: 6962.04, 0.00312795/step Wall: 6962.04, 0.00312795/step, 2.43042 hours remaining, 237.449219 MB of memory in use. ENERGY: 2202800 3972.9748 20533.5695 14434.6970 230.8930 -203522.0136 2847.8768 0.0000 0.0000 52135.0228 -109366.9797 299.6207 -161502.0025 -108989.8180 298.5935 198.8836 222.0674 761041.3512 -7.5985 -7.5251 PRESSURE: 2203000 -40.6809 -2.52364 -34.3011 -2.52276 70.4365 -60.7117 -34.3005 -60.7125 232.857 GPRESSURE: 2203000 61.7463 -21.1254 76.1187 25.5435 30.6538 40.0199 -111.843 -182.335 234.839 PRESSAVG: 2203000 -38.8253 19.7423 -8.90038 19.7424 5.54584 6.72278 -8.90041 6.72276 11.7177 GPRESSAVG: 2203000 -38.5091 19.5706 -9.17662 21.1895 6.74804 5.34122 -8.40314 6.3331 10.7066 TIMING: 2203000 CPU: 6962.67, 0.00314091/step Wall: 6962.67, 0.00314091/step, 2.44031 hours remaining, 237.449219 MB of memory in use. ENERGY: 2203000 4018.6348 20684.1328 14418.2715 267.3004 -203757.9352 2764.9579 0.0000 0.0000 52338.2532 -109266.3845 300.7887 -161604.6377 -108894.9605 299.8320 87.5374 109.0796 761572.0229 -7.1872 -7.0181 PRESSURE: 2203200 14.4555 -89.3161 76.7861 -89.3162 174.322 63.8022 76.7846 63.8019 -301.375 GPRESSURE: 2203200 31.319 3.50282 15.203 -82.419 140.208 113.821 247.096 -18.2761 -204.034 PRESSAVG: 2203200 -21.893 -25.3382 31.3901 -25.3382 -19.366 -8.88729 31.3901 -8.88729 -15.2516 GPRESSAVG: 2203200 -23.3278 -23.5889 31.0112 -26.0315 -18.4404 -6.6417 31.3144 -11.08 -15.2628 TIMING: 2203200 CPU: 6963.3, 0.00313489/step Wall: 6963.3, 0.00313489/step, 2.43546 hours remaining, 237.449219 MB of memory in use. ENERGY: 2203200 4040.8203 20658.9320 14518.8959 257.2078 -203094.6212 2562.3480 0.0000 0.0000 51749.0227 -109307.3945 297.4023 -161056.4172 -108958.0150 299.6564 -37.5325 -10.8356 759554.2923 -18.8369 -19.0104 PRESSURE: 2203400 61.4993 -126.198 0.752299 -126.198 -175.406 -195.702 0.75342 -195.701 -161.51 GPRESSURE: 2203400 44.1319 -79.3678 -20.0812 -168.45 -74.2609 -161.431 63.9641 -203.929 -143.861 PRESSAVG: 2203400 -6.30573 -17.4858 47.4566 -17.4858 -17.998 -55.7923 47.4566 -55.7923 19.7567 GPRESSAVG: 2203400 -4.78312 -18.4538 47.5473 -18.9228 -17.7628 -58.7241 45.2864 -53.5386 18.3522 TIMING: 2203400 CPU: 6963.92, 0.00312826/step Wall: 6963.92, 0.00312826/step, 2.43013 hours remaining, 237.449219 MB of memory in use. ENERGY: 2203400 4007.2870 20444.4021 14502.6236 217.9447 -203242.0154 2679.0748 0.0000 0.0000 52019.0145 -109371.6686 298.9540 -161390.6832 -109006.3074 299.9156 -91.8056 -57.9965 762372.3315 -1.5157 -1.3979 PRESSURE: 2203600 -325.878 -0.459354 215.897 -0.460307 -504.991 -249.378 215.897 -249.378 108.065 GPRESSURE: 2203600 -234.375 -46.9951 128.999 21.6099 -567.034 -288.726 155.26 -329.31 147.237 PRESSAVG: 2203600 47.2503 17.0674 57.0692 17.0673 -39.414 -20.9706 57.0692 -20.9706 3.85496 GPRESSAVG: 2203600 46.9165 17.3419 57.8323 16.206 -40.3364 -20.0556 57.8914 -23.6449 4.44568 TIMING: 2203600 CPU: 6964.55, 0.00313358/step Wall: 6964.55, 0.00313358/step, 2.4341 hours remaining, 237.449219 MB of memory in use. ENERGY: 2203600 4009.8940 20547.5025 14470.1041 232.2833 -203147.3776 2449.9490 0.0000 0.0000 52245.4600 -109192.1846 300.2554 -161437.6447 -108837.9513 299.4367 -240.9345 -218.0573 763385.3034 3.8971 3.6753 PRESSURE: 2203800 -106.336 -59.4587 -39.4839 -59.4583 -38.1767 46.387 -39.4843 46.3883 -299.363 GPRESSURE: 2203800 -67.7937 -23.729 -57.1618 23.2388 -62.9194 23.9588 -35.8671 205.761 -241.582 PRESSAVG: 2203800 37.8742 -11.3082 6.90985 -11.3082 -36.3607 -15.7427 6.90992 -15.7426 3.6243 GPRESSAVG: 2203800 37.3625 -12.734 7.77505 -9.69707 -36.6997 -15.5804 5.37881 -13.2398 3.83068 TIMING: 2203800 CPU: 6965.18, 0.00312209/step Wall: 6965.18, 0.00312209/step, 2.425 hours remaining, 237.449219 MB of memory in use. ENERGY: 2203800 4035.6964 20460.3718 14404.1327 244.5082 -203115.9176 2499.5987 0.0000 0.0000 52116.2985 -109355.3112 299.5131 -161471.6097 -109002.1623 299.2823 -147.9584 -124.0983 763536.2635 1.7126 1.4978 PRESSURE: 2204000 -69.0796 -34.7449 -16.605 -34.7445 388.767 58.2167 -16.6055 58.2163 50.8783 GPRESSURE: 2204000 18.3162 -31.8983 -7.43783 -20.4637 363.326 120.849 109.031 31.805 46.8073 PRESSAVG: 2204000 56.8903 -22.6201 -4.73195 -22.62 -55.7141 1.78843 -4.73197 1.7884 21.1868 GPRESSAVG: 2204000 56.3785 -21.6559 -6.79213 -22.2947 -54.0014 1.55386 -2.50679 1.42459 20.3178 TIMING: 2204000 CPU: 6965.81, 0.00314987/step Wall: 6965.81, 0.00314987/step, 2.4464 hours remaining, 237.449219 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: 2204000 4014.3508 20603.4405 14421.9888 247.1567 -203376.9292 2578.2341 0.0000 0.0000 52027.5148 -109484.2435 299.0028 -161511.7583 -109128.7942 298.9528 123.5221 142.8166 760671.8899 7.4543 7.5650 PRESSURE: 2204200 33.5795 -40.2038 -66.6881 -40.2049 -50.1712 -143.446 -66.6902 -143.446 77.2406 GPRESSURE: 2204200 107.348 -8.88829 -121.954 -116.288 -39.512 -72.1017 -70.6824 -53.1306 62.6083 PRESSAVG: 2204200 -16.5709 6.5122 20.0277 6.51219 7.62161 44.0376 20.0277 44.0376 0.449196 GPRESSAVG: 2204200 -15.4968 5.40219 21.5429 4.97893 6.93231 44.5853 20.4928 42.9936 0.216143 TIMING: 2204200 CPU: 6966.43, 0.00312454/step Wall: 6966.43, 0.00312454/step, 2.42655 hours remaining, 237.449219 MB of memory in use. ENERGY: 2204200 4000.4973 20479.5492 14456.0269 241.1126 -202938.5265 2503.2851 0.0000 0.0000 52025.5314 -109232.5240 298.9914 -161258.0554 -108863.5036 298.7929 20.2163 43.4813 763039.0938 -2.8334 -2.7828 LDB: ============= START OF LOAD BALANCING ============== 6978.96 LDB: ============== END OF LOAD BALANCING =============== 6978.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6978.96 LDB: ============= START OF LOAD BALANCING ============== 6979.28 LDB: Largest compute 7056 load 0.029002 is 14.8% of average load 0.195399 LDB: Average compute 0.004385 is 2.2% of average load 0.195399 LDB: TIME 6979.28 LOAD: AVG 0.195399 MAX 0.216744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 6979.28 LOAD: AVG 0.195399 MAX 0.216744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 6979.28 LOAD: AVG 0.195399 MAX 0.216744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 6979.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6979.29 PRESSURE: 2204400 95.6332 -217.731 28.8821 -217.73 5.07678 -18.8482 28.882 -18.8485 305.807 GPRESSURE: 2204400 122.988 -136.852 -33.1817 -151.79 80.2263 6.85884 -32.6494 32.4781 283.171 PRESSAVG: 2204400 9.96742 21.5519 -43.6111 21.5519 -16.9381 -56.015 -43.6111 -56.015 8.61582 GPRESSAVG: 2204400 8.01468 21.7175 -45.345 22.489 -15.6283 -58.1254 -41.4546 -53.1158 9.00411 TIMING: 2204400 CPU: 6967.07, 0.00319303/step Wall: 6967.07, 0.00319303/step, 2.47956 hours remaining, 236.164062 MB of memory in use. ENERGY: 2204400 3989.5523 20390.7381 14454.1759 231.9830 -203396.0664 2552.0865 0.0000 0.0000 52291.1718 -109486.3589 300.5181 -161777.5306 -109117.8114 299.3405 135.5055 162.1286 760974.8407 0.5484 0.4635 PRESSURE: 2204600 -140.64 -133.999 45.4404 -133.999 -219.321 -183.189 45.4412 -183.191 -574.937 GPRESSURE: 2204600 -170.645 -256.534 76.7965 -126.902 -278.662 -225.519 58.7615 -209.787 -403.911 PRESSAVG: 2204600 -6.98426 -3.11549 -17.3575 -3.11552 -21.0656 4.41069 -17.3575 4.41067 0.699337 GPRESSAVG: 2204600 -6.54864 -2.74453 -16.3573 -4.19654 -22.3301 6.0731 -19.4685 2.80505 1.3305 TIMING: 2204600 CPU: 6967.69, 0.00312024/step Wall: 6967.69, 0.00312024/step, 2.42287 hours remaining, 236.558594 MB of memory in use. ENERGY: 2204600 4102.1549 20648.0262 14514.7106 240.2197 -203322.3801 2295.2014 0.0000 0.0000 51812.1922 -109709.8751 297.7654 -161522.0673 -109353.7698 298.5996 -311.6329 -284.4062 762837.1417 -9.1168 -9.1827 PRESSURE: 2204800 -433.674 -77.9803 80.4795 -77.9792 108.429 45.9159 80.4794 45.9165 -86.2665 GPRESSURE: 2204800 -359.851 12.7729 113.848 -118.339 106.406 133.95 -83.0141 77.4743 -86.0109 PRESSAVG: 2204800 7.94766 -27.5582 -31.5056 -27.5582 34.474 -13.783 -31.5057 -13.7829 9.95345 GPRESSAVG: 2204800 8.31864 -26.4317 -30.9876 -27.3342 35.1373 -12.9246 -32.9755 -14.2686 9.06986 TIMING: 2204800 CPU: 6968.32, 0.00312761/step Wall: 6968.32, 0.00312761/step, 2.42842 hours remaining, 236.558594 MB of memory in use. ENERGY: 2204800 4032.9631 20644.6445 14464.9829 238.1825 -203388.6749 2466.1453 0.0000 0.0000 51945.4099 -109596.3467 298.5310 -161541.7566 -109233.7128 298.8548 -137.1708 -113.1518 760379.1167 17.4584 17.5086 PRESSURE: 2205000 -29.5267 90.1635 -72.5521 90.1645 -122.682 -32.6507 -72.5519 -32.6514 68.7095 GPRESSURE: 2205000 10.8098 110.826 -33.5462 170.693 -132.52 -26.7973 -121.349 62.5926 114.36 PRESSAVG: 2205000 -22.6069 29.9609 -9.43368 29.9609 -18.9644 -42.4353 -9.43364 -42.4353 11.8388 GPRESSAVG: 2205000 -22.4541 31.3524 -9.71514 30.2715 -20.5342 -42.7041 -10.851 -43.5638 13.096 TIMING: 2205000 CPU: 6968.94, 0.00312976/step Wall: 6968.94, 0.00312976/step, 2.42991 hours remaining, 236.636719 MB of memory in use. ENERGY: 2205000 3943.3684 20497.9522 14391.8164 241.6052 -203227.1473 2465.9483 0.0000 0.0000 52101.8742 -109584.5827 299.4302 -161686.4568 -109228.3055 298.9392 -27.8332 -2.4501 761708.3564 -9.9108 -9.9641 PRESSURE: 2205200 -276.555 212.49 48.1346 212.49 -103.28 -54.1454 48.135 -54.1463 -171.641 GPRESSURE: 2205200 -232.323 86.1364 -70.9459 173.728 -61.5036 -72.004 70.2763 26.3361 -166.396 PRESSAVG: 2205200 -14.7113 14.211 12.8352 14.2109 -30.8718 -2.31804 12.8352 -2.31805 -2.99938 GPRESSAVG: 2205200 -14.8268 10.5173 12.5218 12.7903 -29.4998 -1.88277 15.4745 -3.1539 -4.49837 TIMING: 2205200 CPU: 6969.57, 0.00312591/step Wall: 6969.57, 0.00312591/step, 2.42675 hours remaining, 236.636719 MB of memory in use. ENERGY: 2205200 4019.8784 20503.8882 14459.1563 249.5654 -203075.5744 2409.2566 0.0000 0.0000 51965.4763 -109468.3532 298.6463 -161433.8295 -109096.8448 298.7769 -183.8254 -153.4075 763635.1276 -16.1942 -16.2750 PRESSURE: 2205400 129.178 -127.362 -127.838 -127.361 256.512 39.97 -127.838 39.9702 168.768 GPRESSURE: 2205400 175.104 -29.4672 -114.95 -10.6071 240.151 26.0494 -65.2217 96.3005 195.924 PRESSAVG: 2205400 -21.6977 -21.2228 -6.56512 -21.2228 13.9075 -14.0922 -6.56515 -14.0922 -21.177 GPRESSAVG: 2205400 -22.2928 -18.842 -6.58954 -19.9076 13.965 -13.7096 -5.16931 -11.3319 -21.4175 TIMING: 2205400 CPU: 6970.2, 0.00314164/step Wall: 6970.2, 0.00314164/step, 2.43878 hours remaining, 236.636719 MB of memory in use. ENERGY: 2205400 3954.6048 20412.8937 14494.2573 235.8983 -203170.1867 2661.8927 0.0000 0.0000 51803.2391 -109607.4008 297.7139 -161410.6399 -109247.6907 298.7672 184.8193 203.7263 762705.5436 -9.6557 -9.9151 PRESSURE: 2205600 -78.3516 -78.4536 15.8297 -78.4533 174.468 31.5808 15.8297 31.5801 -244.864 GPRESSURE: 2205600 14.416 -93.8372 16.4463 -64.7315 64.506 98.3942 102.98 -58.7018 -133.413 PRESSAVG: 2205600 22.4269 -41.939 11.0587 -41.939 -6.1866 37.127 11.0587 37.127 -4.79493 GPRESSAVG: 2205600 22.8496 -41.5361 11.3723 -43.9714 -8.2694 36.3429 9.07359 35.4509 -3.18392 TIMING: 2205600 CPU: 6970.83, 0.00313734/step Wall: 6970.83, 0.00313734/step, 2.43527 hours remaining, 236.707031 MB of memory in use. ENERGY: 2205600 4048.1064 20609.6027 14418.7493 242.1853 -203384.7247 2552.0666 0.0000 0.0000 51711.4184 -109802.5960 297.1862 -161514.0144 -109449.5372 298.3333 -49.5824 -18.1638 762256.4808 3.8151 3.7988 PRESSURE: 2205800 82.9844 -89.5411 -29.559 -89.5417 129.452 -140.101 -29.5594 -140.101 -291.574 GPRESSURE: 2205800 93.5486 -106.842 -74.8767 17.1849 162.683 -85.5569 -24.736 -203.315 -241.241 PRESSAVG: 2205800 21.5575 -10.938 11.1629 -10.938 -2.36203 -28.0934 11.1628 -28.0933 -3.49179 GPRESSAVG: 2205800 21.8433 -10.3738 10.0082 -10.7137 -2.1541 -26.8977 11.6747 -28.8927 -3.6004 TIMING: 2205800 CPU: 6971.45, 0.0031391/step Wall: 6971.45, 0.0031391/step, 2.43646 hours remaining, 236.707031 MB of memory in use. ENERGY: 2205800 4030.7206 20590.0601 14381.1436 255.5058 -203400.3678 2545.1252 0.0000 0.0000 51845.9853 -109751.8272 297.9596 -161597.8125 -109395.3297 298.2163 -26.3793 4.9968 760954.2694 5.2346 5.3629 PRESSURE: 2206000 401.179 -14.8585 -34.9176 -14.8585 4.55072 24.1937 -34.917 24.1925 174.367 GPRESSURE: 2206000 388.798 -24.7188 -41.6137 -26.1693 76.3975 86.7012 -99.6047 -109.617 181.952 PRESSAVG: 2206000 2.12161 -2.06481 -61.0068 -2.06483 7.69154 14.1679 -61.0068 14.168 13.9902 GPRESSAVG: 2206000 1.18983 -2.51433 -61.1346 -3.24349 9.94967 13.7299 -62.7075 14.5414 13.0636 TIMING: 2206000 CPU: 6972.08, 0.00313309/step Wall: 6972.08, 0.00313309/step, 2.43162 hours remaining, 236.695312 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: 2206000 3967.8829 20552.7890 14490.2300 252.6133 -203369.8815 2779.6660 0.0000 0.0000 51719.0199 -109607.6804 297.2299 -161326.7003 -109249.4498 298.5345 193.3656 215.7158 762449.0671 7.9344 8.0677 PRESSURE: 2206200 -24.8113 -47.4599 -49.6977 -47.4599 107.017 -70.4475 -49.698 -70.4468 -64.9224 GPRESSURE: 2206200 -80.5577 -37.6834 -44.7333 11.8592 159.753 -170.257 54.2937 71.7436 20.5954 PRESSAVG: 2206200 44.8443 -14.327 30.8272 -14.327 -6.71888 5.09869 30.8271 5.09873 21.636 GPRESSAVG: 2206200 44.6106 -15.125 30.6725 -13.3401 -7.78704 5.9057 32.3529 5.25797 22.9865 TIMING: 2206200 CPU: 6972.71, 0.00313921/step Wall: 6972.71, 0.00313921/step, 2.4362 hours remaining, 236.695312 MB of memory in use. ENERGY: 2206200 3959.9230 20559.9653 14390.1299 251.1096 -203286.0594 2721.0448 0.0000 0.0000 51887.1178 -109516.7690 298.1960 -161403.8868 -109161.9173 298.6494 5.7610 33.2636 762209.1682 19.9205 19.9367 PRESSURE: 2206400 198.685 -136.53 93.8189 -136.529 30.1966 0.12484 93.8196 0.12492 128.993 GPRESSURE: 2206400 309.875 -60.2483 -45.9749 -144.079 48.4453 -34.7192 46.4216 -31.2026 83.0474 PRESSAVG: 2206400 1.07284 -36.8537 44.5959 -36.8537 -21.242 26.5218 44.596 26.5218 -19.4281 GPRESSAVG: 2206400 2.12356 -34.7936 45.999 -36.0453 -21.6244 26.5163 43.701 27.5765 -19.9851 TIMING: 2206400 CPU: 6973.34, 0.00314057/step Wall: 6973.34, 0.00314057/step, 2.43708 hours remaining, 236.707031 MB of memory in use. ENERGY: 2206400 3969.6334 20470.7256 14461.6775 245.5836 -203477.4197 2748.9059 0.0000 0.0000 52090.5889 -109490.3047 299.3653 -161580.8937 -109135.5311 299.0954 119.2915 147.1227 761761.3580 -13.1991 -13.1620 PRESSURE: 2206600 293.47 -104.05 58.7549 -104.05 236.453 79.0275 58.755 79.0278 -172.902 GPRESSURE: 2206600 338.828 -180.917 32.3819 -214.717 215.264 127.574 43.1421 89.7905 -113.333 PRESSAVG: 2206600 22.0073 -5.53016 -18.6863 -5.53011 -44.8408 24.2501 -18.6863 24.2501 19.1809 GPRESSAVG: 2206600 22.931 -7.9901 -19.997 -5.59546 -45.0676 23.424 -18.3958 22.4243 18.1186 TIMING: 2206600 CPU: 6973.96, 0.00313831/step Wall: 6973.96, 0.00313831/step, 2.43515 hours remaining, 236.707031 MB of memory in use. ENERGY: 2206600 3999.7574 20524.0333 14446.1027 227.3768 -203261.9925 2647.6978 0.0000 0.0000 51779.5403 -109637.4843 297.5777 -161417.0247 -109272.5274 298.9404 119.0071 146.9197 759955.1916 -1.2175 -1.3393 PRESSURE: 2206800 106.677 108.079 -48.0938 108.079 -174.25 236.655 -48.0935 236.655 -15.8625 GPRESSURE: 2206800 82.2127 125.282 1.8906 226.713 -13.6739 176.837 46.8441 103.578 -64.2832 PRESSAVG: 2206800 31.9245 -0.78772 16.6618 -0.78772 -25.9859 0.20195 16.6619 0.201894 8.07138 GPRESSAVG: 2206800 30.6262 -1.21284 19.2696 -1.66724 -25.0844 1.17553 15.9261 1.9719 9.20539 TIMING: 2206800 CPU: 6974.59, 0.00311874/step Wall: 6974.59, 0.00311874/step, 2.4198 hours remaining, 236.707031 MB of memory in use. ENERGY: 2206800 3965.3289 20565.3274 14392.3618 244.4484 -202985.8655 2338.2657 0.0000 0.0000 51680.4389 -109799.6943 297.0082 -161480.1333 -109430.0109 297.7617 -27.8118 1.4185 762070.3829 4.6700 4.9157 PRESSURE: 2207000 -220.208 133.198 -209.628 133.198 95.2275 -164.029 -209.629 -164.03 -20.3667 GPRESSURE: 2207000 -143.869 71.7148 -157.789 5.07004 131.572 -86.1803 -126.062 -149.33 -49.8617 PRESSAVG: 2207000 23.6958 21.7127 7.49693 21.7127 -55.0388 17.7683 7.49699 17.7682 5.7152 GPRESSAVG: 2207000 24.2048 22.1231 6.37681 20.7722 -54.8935 16.906 7.7563 14.5947 5.52217 TIMING: 2207000 CPU: 6975.21, 0.00313333/step Wall: 6975.21, 0.00313333/step, 2.43094 hours remaining, 236.707031 MB of memory in use. ENERGY: 2207000 4009.4354 20468.4491 14533.7144 254.5261 -203366.4867 2468.9195 0.0000 0.0000 51971.9581 -109659.4842 298.6836 -161631.4423 -109296.8983 298.6025 -48.4492 -20.7198 759075.1824 -8.5426 -8.3888 PRESSURE: 2207200 -133.998 3.6018 133.35 3.60157 -304.489 -188.746 133.349 -188.746 -81.7629 GPRESSURE: 2207200 -74.0495 -15.2906 120.631 -143.916 -264.469 -180.294 171.748 -128.832 -109.246 PRESSAVG: 2207200 56.9765 20.4329 -7.68736 20.4329 -16.5568 -10.626 -7.68744 -10.626 3.06386 GPRESSAVG: 2207200 57.4265 19.6638 -7.71641 21.6286 -16.1297 -9.19434 -5.92894 -8.87469 2.63922 TIMING: 2207200 CPU: 6975.84, 0.00312221/step Wall: 6975.84, 0.00312221/step, 2.42214 hours remaining, 236.707031 MB of memory in use. ENERGY: 2207200 3987.1493 20440.2502 14410.3797 230.1994 -202754.0758 2374.4857 0.0000 0.0000 51831.0237 -109480.5878 297.8736 -161311.6115 -109115.0485 298.8529 -173.4167 -149.2550 762240.2418 14.4945 14.6453 PRESSURE: 2207400 370.084 -2.46278 35.4375 -2.46281 73.2444 64.5496 35.4366 64.5499 156.147 GPRESSURE: 2207400 437.556 -57.6816 -9.43229 13.5698 46.4838 -24.4076 21.4613 47.629 197.206 PRESSAVG: 2207400 29.8965 -19.9946 -28.0082 -19.9945 -65.236 -3.32089 -28.0082 -3.32095 13.7728 GPRESSAVG: 2207400 28.406 -19.5441 -27.9563 -19.9302 -65.4413 -3.98786 -30.2363 -3.29188 15.7938 TIMING: 2207400 CPU: 6976.46, 0.00313047/step Wall: 6976.46, 0.00313047/step, 2.42837 hours remaining, 236.707031 MB of memory in use. ENERGY: 2207400 3962.3310 20631.5637 14471.2133 246.1186 -203658.1054 2821.7986 0.0000 0.0000 52079.9104 -109445.1699 299.3040 -161525.0803 -109090.3421 299.0709 199.8251 227.0822 761228.2616 -7.1889 -7.0805 PRESSURE: 2207600 -23.3289 -273.705 -34.3863 -273.705 11.5903 -48.816 -34.3858 -48.8154 198.624 GPRESSURE: 2207600 24.2116 -188.482 -52.8921 -169.699 106.128 -122.858 30.4734 -101.325 124.395 PRESSAVG: 2207600 16.9128 54.7053 -8.83392 54.7053 1.32139 -44.5752 -8.83388 -44.5752 20.8118 GPRESSAVG: 2207600 18.2169 54.8528 -7.96871 54.1622 0.970985 -45.5057 -9.68638 -43.9385 19.5124 TIMING: 2207600 CPU: 6977.09, 0.0031264/step Wall: 6977.09, 0.0031264/step, 2.42505 hours remaining, 236.707031 MB of memory in use. ENERGY: 2207600 3994.0479 20455.4512 14419.1944 230.1766 -203606.8453 2977.6032 0.0000 0.0000 51904.5964 -109625.7755 298.2964 -161530.3719 -109253.2860 298.8038 62.2952 84.9115 762674.1266 13.0153 12.9001 PRESSURE: 2207800 -157.545 13.124 -162.709 13.124 -348.415 -271.631 -162.71 -271.631 36.1599 GPRESSURE: 2207800 -67.2721 38.5641 -98.9503 70.0747 -266.931 -210.005 -219.999 -183.892 -56.2316 PRESSAVG: 2207800 -65.624 2.43374 -27.5455 2.43368 54.2468 -11.5589 -27.5455 -11.5589 -1.32709 GPRESSAVG: 2207800 -65.7387 2.32058 -27.0574 4.43784 53.9279 -11.5331 -25.7824 -12.2144 -1.02179 TIMING: 2207800 CPU: 6977.72, 0.00314074/step Wall: 6977.72, 0.00314074/step, 2.43599 hours remaining, 236.707031 MB of memory in use. ENERGY: 2207800 3920.0587 20681.2671 14497.2144 247.7165 -203450.6054 2692.8310 0.0000 0.0000 51820.6459 -109590.8718 297.8140 -161411.5176 -109236.1819 298.6687 -156.6000 -130.1451 762308.8612 -4.2347 -4.2775 PRESSURE: 2208000 163.967 -136.148 -71.0181 -136.148 -125.518 -79.4425 -71.0175 -79.4432 -193.626 GPRESSURE: 2208000 113.342 11.6534 -136.454 -213.491 3.31119 -8.91835 31.6182 -60.0301 -176.911 PRESSAVG: 2208000 28.3115 -2.87518 -20.6206 -2.87519 -51.537 10.0446 -20.6206 10.0446 -34.5049 GPRESSAVG: 2208000 27.7947 -2.95516 -22.2584 -4.14789 -51.0474 9.34418 -19.8001 12.0888 -34.0712 TIMING: 2208000 CPU: 6978.35, 0.00314755/step Wall: 6978.35, 0.00314755/step, 2.4411 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: 2208000 3995.5558 20385.2474 14433.2230 240.5361 -203778.5642 2990.9313 0.0000 0.0000 52051.3816 -109681.6889 299.1400 -161733.0705 -109314.0956 298.6793 -51.7257 -20.0857 765082.0072 -19.2435 -19.1079 PRESSURE: 2208200 -73.5125 13.6157 -65.927 13.6156 -45.6123 84.1694 -65.9269 84.1706 42.2677 GPRESSURE: 2208200 -93.6109 93.3271 -112.903 28.8368 -41.3857 94.8893 -100.921 -66.1596 131.771 PRESSAVG: 2208200 -22.2534 21.0281 -4.05943 21.0281 8.89514 -8.75266 -4.05945 -8.7527 -22.6978 GPRESSAVG: 2208200 -22.6408 21.8832 -3.11908 20.7389 9.2901 -7.05908 -4.65913 -12.5775 -22.6527 TIMING: 2208200 CPU: 6978.97, 0.00312339/step Wall: 6978.97, 0.00312339/step, 2.42219 hours remaining, 236.707031 MB of memory in use. ENERGY: 2208200 3913.9692 20524.3085 14482.9732 266.3136 -203506.5655 2690.1978 0.0000 0.0000 52001.3037 -109627.4995 298.8522 -161628.8032 -109262.3007 298.7425 -25.6190 -1.0753 764047.4138 -12.0187 -12.0011 LDB: ============= START OF LOAD BALANCING ============== 6991.5 LDB: ============== END OF LOAD BALANCING =============== 6991.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6991.5 LDB: ============= START OF LOAD BALANCING ============== 6991.82 LDB: Largest compute 7031 load 0.033167 is 17.0% of average load 0.195422 LDB: Average compute 0.004401 is 2.3% of average load 0.195422 LDB: TIME 6991.82 LOAD: AVG 0.195422 MAX 0.21874 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.746 MB LDB: TIME 6991.82 LOAD: AVG 0.195422 MAX 0.21874 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: TIME 6991.82 LOAD: AVG 0.195422 MAX 0.218067 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: ============== END OF LOAD BALANCING =============== 6991.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6991.83 PRESSURE: 2208400 100.494 -4.14612 126.946 -4.14637 -154.59 -200.206 126.946 -200.206 -1.88968 GPRESSURE: 2208400 134.924 -84.961 81.5688 23.271 -137.591 -174.514 29.6363 -192.446 36.3916 PRESSAVG: 2208400 -80.0222 -59.9625 28.0578 -59.9625 25.0859 -32.7076 28.0578 -32.7076 1.8475 GPRESSAVG: 2208400 -79.0798 -62.5122 29.4088 -58.5137 23.8593 -34.5375 27.4277 -29.6922 1.75698 TIMING: 2208400 CPU: 6979.61, 0.00319251/step Wall: 6979.61, 0.00319251/step, 2.47562 hours remaining, 235.394531 MB of memory in use. ENERGY: 2208400 3885.6161 20618.4744 14430.9708 245.4511 -203469.2362 2628.9294 0.0000 0.0000 52161.8767 -109497.9176 299.7750 -161659.7943 -109137.4121 298.7303 -18.6621 11.2414 762932.6589 -17.6963 -17.8212 PRESSURE: 2208600 235.667 179.433 -111.015 179.433 193.448 -134.667 -111.016 -134.667 443.956 GPRESSURE: 2208600 189.137 71.9728 -106.603 117.201 288.417 -41.2773 64.853 -137.056 481.989 PRESSAVG: 2208600 -37.3761 -19.8378 -37.3131 -19.8378 20.6046 -33.6248 -37.3132 -33.6248 -14.5028 GPRESSAVG: 2208600 -37.7705 -17.9538 -39.0565 -22.212 21.9408 -33.206 -36.4749 -34.1035 -15.2212 TIMING: 2208600 CPU: 6980.24, 0.0031251/step Wall: 6980.24, 0.0031251/step, 2.42317 hours remaining, 235.597656 MB of memory in use. ENERGY: 2208600 3972.8861 20596.8224 14424.3655 243.6413 -203525.5848 2880.6079 0.0000 0.0000 51828.9843 -109578.2771 297.8619 -161407.2615 -109212.3283 299.1543 291.0238 319.8475 762435.9727 -10.4248 -10.3503 PRESSURE: 2208800 -151.666 -79.9481 -106.249 -79.9482 -287.539 -191.188 -106.25 -191.188 -342.337 GPRESSURE: 2208800 -218.914 -127.417 -166.671 -22.7477 -221.754 -250.484 34.5645 -169.483 -258.597 PRESSAVG: 2208800 -12.1519 17.0136 -31.1168 17.0135 2.85807 -21.1565 -31.1168 -21.1564 -29.454 GPRESSAVG: 2208800 -13.4274 17.4587 -30.4809 18.3415 3.05635 -21.1616 -30.6517 -23.0788 -28.4846 TIMING: 2208800 CPU: 6980.86, 0.00313845/step Wall: 6980.86, 0.00313845/step, 2.43335 hours remaining, 235.597656 MB of memory in use. ENERGY: 2208800 4097.3828 20496.9033 14361.9238 248.0696 -203687.5589 2830.7948 0.0000 0.0000 51999.2329 -109653.2518 298.8403 -161652.4847 -109300.8772 298.6223 -260.5137 -233.0883 763113.5233 -12.9159 -12.9519 PRESSURE: 2209000 81.0212 47.3992 31.2644 47.4005 156.811 -23.577 31.264 -23.5755 -78.4015 GPRESSURE: 2209000 140.65 28.4463 58.1553 -26.9401 139.099 -25.5731 93.0928 -48.4325 -41.0216 PRESSAVG: 2209000 -13.2733 -34.2986 25.1235 -34.2987 15.127 4.35698 25.1235 4.35698 8.37805 GPRESSAVG: 2209000 -12.0186 -35.1362 24.7393 -33.5765 14.0234 5.39898 23.2683 5.40671 7.99625 TIMING: 2209000 CPU: 6981.49, 0.00312472/step Wall: 6981.49, 0.00312472/step, 2.42253 hours remaining, 235.597656 MB of memory in use. ENERGY: 2209000 3989.1949 20539.8136 14426.0893 264.8434 -203727.2734 2732.5152 0.0000 0.0000 52042.9272 -109731.8899 299.0914 -161774.8170 -109365.7645 298.6923 53.1436 79.5760 761843.1223 3.4106 3.3337 PRESSURE: 2209200 -199.482 -25.9779 303.442 -25.9783 -586.59 6.65372 303.441 6.65407 -750.223 GPRESSURE: 2209200 -171.736 -185.65 340.417 -34.2725 -593.499 -10.5249 183.595 -0.521211 -688.737 PRESSAVG: 2209200 -9.43258 -2.47374 9.99515 -2.47379 18.1534 -28.7355 9.99519 -28.7355 -0.0261169 GPRESSAVG: 2209200 -10.2908 -4.48582 11.1324 -2.99051 19.6194 -29.4762 10.7974 -29.6466 -0.138916 TIMING: 2209200 CPU: 6982.12, 0.00314105/step Wall: 6982.12, 0.00314105/step, 2.43501 hours remaining, 235.667969 MB of memory in use. ENERGY: 2209200 4090.4050 20328.1575 14364.4776 236.6952 -203722.5156 2662.0501 0.0000 0.0000 52093.3764 -109947.3539 299.3814 -162040.7302 -109580.1330 298.5637 -512.0982 -484.6572 762061.6295 2.8982 3.0632 PRESSURE: 2209400 141.843 82.822 -229.507 82.8222 -129.273 176.388 -229.505 176.388 -171.451 GPRESSURE: 2209400 104.557 92.4636 -185.893 -102.941 -91.1402 196.293 -261.324 15.9784 -95.0144 PRESSAVG: 2209400 -37.122 56.466 -19.4116 56.4661 29.3204 -6.49707 -19.4116 -6.49705 -7.58176 GPRESSAVG: 2209400 -36.1463 57.3832 -20.5437 55.74 29.572 -5.42783 -19.7132 -6.26525 -8.79317 TIMING: 2209400 CPU: 6982.74, 0.00312197/step Wall: 6982.74, 0.00312197/step, 2.42005 hours remaining, 235.667969 MB of memory in use. ENERGY: 2209400 3962.9785 20509.8821 14520.7530 281.1009 -203618.5005 2643.0508 0.0000 0.0000 51931.4821 -109769.2531 298.4509 -161700.7353 -109414.5542 298.2621 -52.9606 -27.1994 763163.1485 -5.1278 -5.1225 PRESSURE: 2209600 -142.327 14.5073 -150.406 14.5075 -55.4978 -165.827 -150.406 -165.829 107.923 GPRESSURE: 2209600 -105.445 103.635 -103.765 -11.1681 14.0822 -127.395 -190.297 -52.3974 74.8808 PRESSAVG: 2209600 0.452349 24.231 -0.525419 24.231 -30.999 22.4867 -0.525359 22.4867 7.36623 GPRESSAVG: 2209600 0.416798 25.7868 0.362996 22.2921 -30.9302 22.3789 -0.491267 25.0282 7.0353 TIMING: 2209600 CPU: 6983.37, 0.00312722/step Wall: 6983.37, 0.00312722/step, 2.42394 hours remaining, 235.667969 MB of memory in use. ENERGY: 2209600 3955.0311 20660.2931 14449.3711 261.6580 -203580.3214 2641.9926 0.0000 0.0000 51913.1791 -109698.7965 298.3458 -161611.9756 -109342.5764 298.3786 -29.9671 -5.4940 761690.0823 -7.7268 -7.8260 PRESSURE: 2209800 -299.121 -154.71 5.34454 -154.709 -551.265 78.8966 5.34484 78.8963 -304.372 GPRESSURE: 2209800 -391.713 -189.69 -84.2999 -96.7346 -430.443 -70.1761 -135.991 80.0326 -247.051 PRESSAVG: 2209800 -11.1462 18.7434 14.4276 18.7434 -21.8589 -35.8497 14.4277 -35.8496 -1.00697 GPRESSAVG: 2209800 -11.5262 18.2216 14.4135 19.6878 -22.3737 -35.4855 15.2654 -36.1133 0.369291 TIMING: 2209800 CPU: 6983.99, 0.0031302/step Wall: 6983.99, 0.0031302/step, 2.42608 hours remaining, 235.667969 MB of memory in use. ENERGY: 2209800 3983.3429 20576.5450 14456.7019 236.8008 -203081.5048 2288.5368 0.0000 0.0000 51982.8682 -109556.7092 298.7463 -161539.5774 -109190.9322 298.6982 -384.9193 -356.4021 762649.7468 -11.3374 -11.1769 PRESSURE: 2210000 250.066 154.633 -31.2913 154.633 142.605 -153.152 -31.2909 -153.152 -231.346 GPRESSURE: 2210000 307.527 191.93 -80.658 195.628 162.064 -202.429 -1.51402 -88.3385 -258.47 PRESSAVG: 2210000 27.7278 -18.2272 33.8747 -18.2272 -49.6696 -32.0107 33.8747 -32.0107 5.64956 GPRESSAVG: 2210000 28.119 -16.1027 31.6082 -20.1806 -49.0995 -34.7424 32.6819 -33.1279 5.08797 TIMING: 2210000 CPU: 6984.62, 0.00313243/step Wall: 6984.62, 0.00313243/step, 2.42763 hours remaining, 235.667969 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: 2210000 3907.5457 20539.2469 14427.0688 247.1846 -203299.9437 2449.7006 0.0000 0.0000 51929.3066 -109799.8907 298.4384 -161729.1972 -109430.3740 298.0817 53.7748 70.3737 761512.4227 -5.4308 -5.2975 PRESSURE: 2210200 176.464 32.9791 97.812 32.9788 -4.56712 -131.97 97.8118 -131.97 -65.6467 GPRESSURE: 2210200 138.123 89.4684 120.952 15.1156 29.1783 -72.3697 109.64 -104.84 38.6096 PRESSAVG: 2210200 -2.4011 -23.6252 30.5319 -23.6252 -10.1085 -48.9982 30.5319 -48.9982 -2.43891 GPRESSAVG: 2210200 -2.33634 -25.8075 32.2509 -18.7717 -9.56138 -45.5967 31.496 -49.8085 -3.57228 TIMING: 2210200 CPU: 6985.25, 0.00314919/step Wall: 6985.25, 0.00314919/step, 2.44045 hours remaining, 235.667969 MB of memory in use. ENERGY: 2210200 3934.4641 20554.7702 14542.6956 228.4493 -203317.0745 2603.3785 0.0000 0.0000 51838.8280 -109614.4888 297.9185 -161453.3167 -109252.3497 298.5897 35.4168 68.6371 762172.2277 -4.9828 -5.1567 PRESSURE: 2210400 -61.264 -64.1087 -6.23608 -64.1079 85.195 172.95 -6.23685 172.949 -55.6119 GPRESSURE: 2210400 -6.46386 27.8331 66.8804 -96.4997 116.36 131.142 38.1122 138.071 -48.2717 PRESSAVG: 2210400 17.0665 -36.8249 10.5268 -36.8249 -7.9308 4.24398 10.5267 4.24395 -3.09977 GPRESSAVG: 2210400 16.1732 -36.0653 11.0037 -38.222 -8.637 2.74679 10.1766 4.19367 -1.71873 TIMING: 2210400 CPU: 6985.87, 0.0031246/step Wall: 6985.87, 0.0031246/step, 2.42122 hours remaining, 235.667969 MB of memory in use. ENERGY: 2210400 3876.2913 20480.8505 14425.7236 240.5736 -202717.5331 2383.6834 0.0000 0.0000 51894.2621 -109416.1487 298.2370 -161310.4108 -109047.7870 298.5613 -10.5603 20.5416 765001.0938 2.0120 1.9392 PRESSURE: 2210600 29.5517 15.1234 52.6202 15.1235 -77.4395 256.998 52.6197 256.997 51.8126 GPRESSURE: 2210600 150.674 32.6684 161.506 -50.7641 -114.598 196.753 60.3346 177.671 44.6407 PRESSAVG: 2210600 -12.5258 -5.3193 -56.7412 -5.3193 -12.7804 -12.168 -56.7413 -12.1679 7.65198 GPRESSAVG: 2210600 -12.1282 -5.8587 -57.5542 -5.7171 -12.5791 -12.5285 -55.4581 -11.08 6.53685 TIMING: 2210600 CPU: 6986.5, 0.00313873/step Wall: 6986.5, 0.00313873/step, 2.43199 hours remaining, 235.667969 MB of memory in use. ENERGY: 2210600 3968.5252 20596.7776 14454.3668 243.7412 -203360.6578 2622.9479 0.0000 0.0000 52238.5068 -109235.7923 300.2154 -161474.2991 -108859.5378 298.9571 1.3083 26.9055 762252.9183 -5.8847 -6.0568 PRESSURE: 2210800 73.49 143.378 97.2764 143.38 -84.0954 114.048 97.2764 114.049 154.539 GPRESSURE: 2210800 8.57055 189.233 -39.6268 148.116 -14.7406 119.984 -103.24 225.932 242.384 PRESSAVG: 2210800 62.8216 24.9546 -4.71749 24.9546 -76.0327 26.9395 -4.71756 26.9396 13.9819 GPRESSAVG: 2210800 61.2609 24.9726 -4.48572 26.5871 -76.3964 25.9646 -6.83635 27.0493 15.4583 TIMING: 2210800 CPU: 6987.13, 0.00312901/step Wall: 6987.13, 0.00312901/step, 2.42429 hours remaining, 235.722656 MB of memory in use. ENERGY: 2210800 4015.4176 20311.4915 14460.5494 236.2744 -203462.4027 2680.7677 0.0000 0.0000 52233.3330 -109524.5691 300.1857 -161757.9021 -109164.4268 298.7545 47.9777 78.7379 762164.8656 0.2569 0.1076 PRESSURE: 2211000 -263.523 96.5769 -69.8834 96.5772 154.561 202.543 -69.8832 202.544 -578.765 GPRESSURE: 2211000 -269.172 114.485 -132.086 122.636 220.232 83.7661 20.7644 137.891 -562.661 PRESSAVG: 2211000 11.8859 13.1484 -14.83 13.1484 -6.04519 25.6189 -14.8299 25.6188 39.093 GPRESSAVG: 2211000 11.6624 14.264 -15.1134 12.7459 -5.04996 26.2118 -13.1777 26.5818 38.3383 TIMING: 2211000 CPU: 6987.75, 0.0031299/step Wall: 6987.75, 0.0031299/step, 2.42481 hours remaining, 235.734375 MB of memory in use. ENERGY: 2211000 4004.3649 20493.2461 14529.4539 249.9154 -203200.5907 2457.4698 0.0000 0.0000 52022.1323 -109444.0083 298.9719 -161466.1406 -109085.8390 298.9632 -229.2421 -203.8670 764739.6905 14.9779 14.9836 PRESSURE: 2211200 -248.958 -98.5624 -4.2901 -98.5625 30.489 48.3349 -4.28947 48.335 391.129 GPRESSURE: 2211200 -99.8386 -128.303 -76.1747 -101.135 -47.2835 54.4938 -28.5834 127.518 417.913 PRESSAVG: 2211200 -19.6426 -5.13339 5.17027 -5.13339 58.0171 -24.7183 5.17021 -24.7183 5.9265 GPRESSAVG: 2211200 -18.45 -4.69462 5.36559 -6.82874 57.2288 -25.2366 6.78072 -27.0543 5.41814 TIMING: 2211200 CPU: 6988.38, 0.00315202/step Wall: 6988.38, 0.00315202/step, 2.44177 hours remaining, 235.734375 MB of memory in use. ENERGY: 2211200 3985.2208 20576.1453 14592.4508 239.6412 -203562.4738 2701.0027 0.0000 0.0000 52240.2139 -109227.7991 300.2252 -161468.0130 -108863.3107 299.2840 57.5534 90.2636 763326.0887 14.7670 14.7323 PRESSURE: 2211400 -93.0566 202.121 40.7304 202.12 -236.112 102.512 40.73 102.512 -171.094 GPRESSURE: 2211400 -101.955 106.316 20.0508 195.129 -137.943 102.497 193.24 89.3149 -188.728 PRESSAVG: 2211400 -71.356 32.4178 -3.98549 32.4177 73.2125 -18.1438 -3.98549 -18.1438 -41.0221 GPRESSAVG: 2211400 -71.5881 30.1878 -3.02402 33.1017 72.689 -16.0734 -4.35396 -16.0485 -40.1888 TIMING: 2211400 CPU: 6989.01, 0.00313398/step Wall: 6989.01, 0.00313398/step, 2.42761 hours remaining, 235.734375 MB of memory in use. ENERGY: 2211400 4101.6215 20565.9004 14581.2907 235.1416 -203184.8690 2565.0456 0.0000 0.0000 52017.7559 -109118.1132 298.9468 -161135.8691 -108758.6000 299.8379 -166.7542 -142.8754 763957.4721 -13.0552 -13.0293 PRESSURE: 2211600 -19.7916 -63.3649 232.186 -63.3648 51.6896 -0.669021 232.185 -0.667891 -42.4186 GPRESSURE: 2211600 -51.4415 -118.508 269.508 0.982786 123.462 33.7942 135.565 -14.5814 -23.9539 PRESSAVG: 2211600 -18.0821 10.7269 4.33326 10.7269 39.2114 25.7185 4.33328 25.7186 0.199793 GPRESSAVG: 2211600 -18.8423 11.2195 4.24195 10.5696 39.4508 26.2646 2.62241 25.1582 0.181208 TIMING: 2211600 CPU: 6989.64, 0.0031409/step Wall: 6989.64, 0.0031409/step, 2.4328 hours remaining, 235.734375 MB of memory in use. ENERGY: 2211600 4015.4543 20655.9802 14508.8332 234.8159 -203775.0003 2988.4202 0.0000 0.0000 52220.4738 -109151.0228 300.1118 -161371.4966 -108793.4953 300.2374 -3.5068 16.0223 763895.2471 7.1097 6.9299 PRESSURE: 2211800 -32.9907 -260.288 -77.9983 -260.288 -134.384 -25.691 -77.9979 -25.691 187.13 GPRESSURE: 2211800 -61.367 -131.664 -45.7386 -284.795 1.43936 59.363 -118.718 -134.859 171.169 PRESSAVG: 2211800 13.8207 -53.9608 -28.9055 -53.9609 4.56147 13.6346 -28.9055 13.6345 13.4007 GPRESSAVG: 2211800 14.7598 -53.8195 -29.0755 -56.6222 4.59635 12.4534 -27.9872 13.2973 12.7569 TIMING: 2211800 CPU: 6990.27, 0.0031394/step Wall: 6990.27, 0.00313939/step, 2.43146 hours remaining, 235.734375 MB of memory in use. ENERGY: 2211800 4056.6184 20556.8258 14544.5485 268.4831 -202750.4029 2349.5872 0.0000 0.0000 52117.2120 -108857.1281 299.5183 -160974.3401 -108497.2138 300.3186 6.5850 37.0806 763183.2564 10.5943 10.7043 PRESSURE: 2212000 -161.294 38.0631 -122.728 38.0637 -92.9802 19.978 -122.728 19.9775 -104.584 GPRESSURE: 2212000 -138.763 -12.3712 -190.23 -63.0938 7.81705 -30.0495 -43.5197 -4.80381 -131.398 PRESSAVG: 2212000 -36.4082 -64.7287 17.017 -64.7287 42.3231 42.9222 17.017 42.9221 -18.0035 GPRESSAVG: 2212000 -37.6253 -64.9138 17.4678 -61.7849 42.9589 42.8129 17.0343 44.5434 -17.7948 TIMING: 2212000 CPU: 6990.89, 0.00313261/step Wall: 6990.89, 0.00313261/step, 2.42603 hours remaining, 235.734375 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: 2212000 3939.5409 20516.2976 14495.5152 238.9574 -202902.2549 2247.1496 0.0000 0.0000 52348.9565 -109115.8377 300.8502 -161464.7943 -108753.4956 300.2504 -119.6194 -87.4478 760754.0266 -4.0295 -4.1537 PRESSURE: 2212200 17.0048 -143.254 -81.5422 -143.253 219.535 88.5189 -81.5426 88.5187 -112.402 GPRESSURE: 2212200 116.212 -143.744 -109.026 -203.535 209.58 127.512 -18.5702 205.455 -98.4371 PRESSAVG: 2212200 33.1659 -38.2051 -16.6799 -38.2052 -2.44667 -11.6056 -16.6799 -11.6056 -11.9259 GPRESSAVG: 2212200 33.3354 -39.5346 -15.3558 -39.0747 -3.06415 -11.2029 -16.3937 -15.4066 -12.077 TIMING: 2212200 CPU: 6991.52, 0.00312276/step Wall: 6991.52, 0.00312276/step, 2.41823 hours remaining, 235.734375 MB of memory in use. ENERGY: 2212200 4070.2641 20548.6460 14475.6180 227.2781 -203117.3725 2587.9358 0.0000 0.0000 51999.9416 -109207.6889 298.8444 -161207.6305 -108835.0531 299.8017 41.3793 75.7850 762381.0488 6.2644 6.0647 LDB: ============= START OF LOAD BALANCING ============== 7004.05 LDB: ============== END OF LOAD BALANCING =============== 7004.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7004.05 LDB: ============= START OF LOAD BALANCING ============== 7004.37 LDB: Largest compute 7031 load 0.030934 is 15.8% of average load 0.195460 LDB: Average compute 0.004399 is 2.3% of average load 0.195460 LDB: TIME 7004.37 LOAD: AVG 0.19546 MAX 0.219425 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 7004.37 LOAD: AVG 0.19546 MAX 0.219425 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 7004.37 LOAD: AVG 0.19546 MAX 0.217608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 7004.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7004.38 PRESSURE: 2212400 -195.258 -169.022 45.2678 -169.021 81.6553 25.242 45.2671 25.2425 -73.1941 GPRESSURE: 2212400 -135.451 -140.183 -12.9862 -210.549 96.5203 -57.7334 -27.6807 24.7521 -55.4792 PRESSAVG: 2212400 24.586 -48.4574 10.099 -48.4574 -41.8481 4.00909 10.0991 4.00903 -0.0739356 GPRESSAVG: 2212400 25.2558 -47.7471 8.66113 -48.0082 -42.992 4.1324 9.68714 5.2816 1.01554 TIMING: 2212400 CPU: 6992.16, 0.00322129/step Wall: 6992.16, 0.00322129/step, 2.49435 hours remaining, 236.289062 MB of memory in use. ENERGY: 2212400 3957.1638 20497.7152 14564.4451 263.9401 -203227.5952 2705.0256 0.0000 0.0000 52065.8101 -109173.4952 299.2229 -161239.3052 -108816.7528 299.9993 -62.2656 -31.4698 762650.2827 -5.7787 -5.5735 PRESSURE: 2212600 133.449 342.454 -215.53 342.454 285.627 50.2407 -215.53 50.2409 -264.741 GPRESSURE: 2212600 101.582 335.103 -230.575 260.869 299.299 106.756 -232.976 144.392 -168.831 PRESSAVG: 2212600 -14.2764 -0.873389 -67.8362 -0.87333 55.8983 -20.4493 -67.8362 -20.4494 2.58753 GPRESSAVG: 2212600 -14.1126 1.77369 -68.461 -2.51422 56.669 -22.1058 -67.2238 -18.1982 1.48431 TIMING: 2212600 CPU: 6992.79, 0.00314341/step Wall: 6992.79, 0.00314341/step, 2.43387 hours remaining, 236.492188 MB of memory in use. ENERGY: 2212600 4034.4134 20637.4821 14546.7912 259.9014 -203367.7378 2754.0511 0.0000 0.0000 51867.6556 -109267.4429 298.0841 -161135.0985 -108905.0965 299.7295 51.4449 77.3502 762031.0410 14.7365 14.6802 PRESSURE: 2212800 -53.054 -64.6689 -219.885 -64.6687 357.466 134.086 -219.885 134.086 120.691 GPRESSURE: 2212800 77.6151 -44.9212 -211.874 -18.0958 314.985 160.1 -173.44 93.8297 107.218 PRESSAVG: 2212800 -67.8992 -35.0924 -65.9705 -35.0925 61.4872 19.0132 -65.9704 19.0132 26.3436 GPRESSAVG: 2212800 -67.0669 -38.2036 -66.0659 -34.1141 60.624 22.8177 -67.307 16.8801 25.9787 TIMING: 2212800 CPU: 6993.42, 0.00313594/step Wall: 6993.42, 0.00313594/step, 2.42791 hours remaining, 236.562500 MB of memory in use. ENERGY: 2212800 3988.3950 20632.0431 14500.9300 246.2512 -203850.7985 2867.1141 0.0000 0.0000 52326.1778 -109289.8872 300.7193 -161616.0650 -108926.4800 299.9952 141.7011 166.6059 760382.0289 6.6439 6.5119 PRESSURE: 2213000 -297.569 -190.217 88.8159 -190.217 172.282 -68.1569 88.816 -68.157 650.317 GPRESSURE: 2213000 -243 -208.996 8.01468 -188.571 203.031 -67.0103 121.88 -81.6286 630.742 PRESSAVG: 2213000 -18.1148 -37.1594 -47.2091 -37.1594 68.6063 -12.6366 -47.2091 -12.6366 -0.690672 GPRESSAVG: 2213000 -18.5215 -34.2699 -45.9633 -40.0536 68.6369 -15.8073 -47.458 -13.5588 -0.0840141 TIMING: 2213000 CPU: 6994.04, 0.00312602/step Wall: 6994.04, 0.00312602/step, 2.42006 hours remaining, 236.562500 MB of memory in use. ENERGY: 2213000 3885.0062 20685.6141 14430.8814 264.0149 -203756.1931 2865.8150 0.0000 0.0000 52284.7688 -109340.0926 300.4813 -161624.8614 -108979.7636 300.1559 175.0099 196.9246 760121.1676 16.6003 16.6771 PRESSURE: 2213200 -98.2943 -98.8816 -52.2797 -98.8822 44.3335 105.255 -52.2791 105.255 -219.629 GPRESSURE: 2213200 -71.5931 -110.019 17.3136 -159.049 81.9632 62.7442 44.3637 147.2 -203.323 PRESSAVG: 2213200 -56.9913 -33.5954 -24.3302 -33.5954 63.7974 3.06622 -24.3302 3.06615 1.19056 GPRESSAVG: 2213200 -56.2349 -36.029 -24.0481 -31.2269 64.5967 3.89397 -23.9355 4.051 -0.889192 TIMING: 2213200 CPU: 6994.67, 0.00313446/step Wall: 6994.67, 0.00313446/step, 2.42642 hours remaining, 236.562500 MB of memory in use. ENERGY: 2213200 4001.9986 20644.7805 14509.1333 241.6098 -203311.1822 2443.3339 0.0000 0.0000 52266.4987 -109203.8275 300.3763 -161470.3262 -108839.7221 299.5617 -91.1965 -64.3178 761140.2412 2.6656 2.4909 PRESSURE: 2213400 -193.387 -13.0431 1.49682 -13.0443 -179.506 -23.293 1.49683 -23.294 146.244 GPRESSURE: 2213400 -175.229 -16.4447 38.5393 74.5589 -113.725 16.9629 -41.4102 -4.99152 158.531 PRESSAVG: 2213400 19.6709 -29.5211 32.6786 -29.521 -7.46655 17.4411 32.6786 17.4412 -9.05377 GPRESSAVG: 2213400 18.1522 -29.3025 31.4218 -28.6292 -6.97788 16.1798 33.1477 18.0908 -7.43919 TIMING: 2213400 CPU: 6995.3, 0.00314406/step Wall: 6995.3, 0.00314406/step, 2.43368 hours remaining, 236.562500 MB of memory in use. ENERGY: 2213400 3984.8087 20726.1433 14555.9446 261.2510 -203438.5159 2535.5654 0.0000 0.0000 52147.0698 -109227.7330 299.6899 -161374.8028 -108863.9241 300.2094 -75.5494 -43.4744 760252.0057 1.0502 1.2450 PRESSURE: 2213600 32.3771 25.8189 107.354 25.8191 0.697923 105.838 107.353 105.838 241.105 GPRESSURE: 2213600 50.8925 8.84729 161.879 185.031 -19.0855 201.135 -25.4744 29.0966 330.382 PRESSAVG: 2213600 8.88537 -0.572721 -2.82964 -0.572799 -31.638 19.3616 -2.82965 19.3616 11.1285 GPRESSAVG: 2213600 7.34547 0.200181 -1.40478 -2.01703 -30.8336 19.0772 -4.45082 19.9997 12.462 TIMING: 2213600 CPU: 6995.93, 0.00313877/step Wall: 6995.93, 0.00313877/step, 2.42941 hours remaining, 236.562500 MB of memory in use. ENERGY: 2213600 3936.5132 20542.6211 14525.8752 232.3264 -203175.1149 2572.9612 0.0000 0.0000 52167.6829 -109197.1351 299.8084 -161364.8179 -108830.5464 300.1475 91.3932 120.7298 762561.0137 -3.8747 -3.6754 PRESSURE: 2213800 35.1276 3.9771 -85.5228 3.97767 -7.24484 67.8153 -85.5225 67.8136 89.9701 GPRESSURE: 2213800 128.064 88.9787 -95.5383 32.8113 -87.0937 94.5059 -79.6711 78.4421 158.236 PRESSAVG: 2213800 47.2676 21.0601 -4.86442 21.0601 -21.5445 -26.3527 -4.86437 -26.3526 11.2237 GPRESSAVG: 2213800 48.6987 21.6646 -6.60002 20.6402 -22.3236 -23.7392 -5.585 -28.6575 10.8553 TIMING: 2213800 CPU: 6996.56, 0.00314844/step Wall: 6996.56, 0.00314844/step, 2.43672 hours remaining, 236.562500 MB of memory in use. ENERGY: 2213800 4025.5922 20508.2413 14507.1272 230.1526 -204002.4491 2994.9937 0.0000 0.0000 52294.7066 -109441.6355 300.5384 -161736.3421 -109076.0969 299.6443 39.2843 66.4022 761522.1885 12.3156 12.4101 PRESSURE: 2214000 197.259 -104.604 -204.722 -104.604 317.623 -243.22 -204.722 -243.221 59.0772 GPRESSURE: 2214000 199.097 -87.8042 -124.684 -102.962 346.212 -171.425 -217.767 -243.71 96.3917 PRESSAVG: 2214000 -1.69865 3.32491 11.7191 3.32481 43.1294 -17.5764 11.719 -17.5764 28.9841 GPRESSAVG: 2214000 -2.04715 1.81418 11.5501 3.66877 43.4128 -18.5742 12.1904 -13.9002 28.6359 TIMING: 2214000 CPU: 6997.18, 0.00313864/step Wall: 6997.18, 0.00313864/step, 2.42896 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: 2214000 4009.3754 20506.3851 14575.7648 261.9623 -203712.7320 2939.3873 0.0000 0.0000 51947.4310 -109472.4260 298.5426 -161419.8570 -109116.2031 299.5205 191.3198 213.9002 761276.7202 23.4716 23.3339 PRESSURE: 2214200 64.439 225.18 67.8081 225.18 -72.36 -152.74 67.8079 -152.741 -322.245 GPRESSURE: 2214200 90.2356 127.607 98.572 24.0886 -97.7601 -56.1739 28.8029 -168.423 -240.306 PRESSAVG: 2214200 22.0518 -10.1714 -7.78703 -10.1714 6.70044 -85.3311 -7.78701 -85.3312 -15.5986 GPRESSAVG: 2214200 23.2956 -10.0836 -9.10715 -10.6697 6.33923 -85.0041 -4.62835 -86.5845 -16.0368 TIMING: 2214200 CPU: 6997.81, 0.0031374/step Wall: 6997.81, 0.0031374/step, 2.42783 hours remaining, 236.562500 MB of memory in use. ENERGY: 2214200 3974.8213 20445.9100 14417.2521 244.3911 -203429.8905 2592.6715 0.0000 0.0000 52027.8101 -109727.0344 299.0045 -161754.8445 -109361.6308 299.1026 -110.0553 -82.6103 762114.4474 4.3846 4.5327 PRESSURE: 2214400 -261.944 175.78 129.329 175.78 -487.298 -402.41 129.33 -402.41 -455.701 GPRESSURE: 2214400 -279.402 158.136 163.972 116.44 -395.432 -352.444 -35.2152 -242.685 -445.511 PRESSAVG: 2214400 36.773 9.071 15.5618 9.07092 -65.0447 -52.8434 15.5618 -52.8434 2.61081 GPRESSAVG: 2214400 35.6938 9.26119 17.483 7.48541 -64.0583 -54.9225 13.5176 -52.7634 2.35408 TIMING: 2214400 CPU: 6998.44, 0.00312633/step Wall: 6998.44, 0.00312633/step, 2.41908 hours remaining, 236.562500 MB of memory in use. ENERGY: 2214400 4105.7692 20555.1344 14492.0101 261.8700 -203344.7040 2295.6593 0.0000 0.0000 52042.2621 -109591.9988 299.0876 -161634.2610 -109243.4735 299.0124 -401.6477 -373.4484 761983.6055 -8.5536 -8.6701 PRESSURE: 2214600 -122.916 64.5109 122.03 64.5107 -315.695 19.2279 122.03 19.2276 -14.7523 GPRESSURE: 2214600 -70.5079 4.01073 141.174 80.6015 -332.552 -49.4285 166.252 -35.1285 19.7076 PRESSAVG: 2214600 34.1552 -21.3247 20.8902 -21.3246 -18.8098 -19.3111 20.8902 -19.3111 21.0268 GPRESSAVG: 2214600 34.1543 -23.1148 19.2347 -18.2657 -18.7655 -18.9176 21.4249 -19.4887 20.5931 TIMING: 2214600 CPU: 6999.06, 0.00313817/step Wall: 6999.06, 0.00313817/step, 2.42807 hours remaining, 236.562500 MB of memory in use. ENERGY: 2214600 4038.8206 20604.3203 14500.4429 243.3393 -203592.7164 2642.4245 0.0000 0.0000 52235.9392 -109327.4296 300.2007 -161563.3688 -108968.4931 299.5081 -151.1213 -127.7842 762099.9998 12.1241 11.9939 PRESSURE: 2214800 -11.3014 -66.3354 -130.658 -66.3357 -202.165 -72.4322 -130.658 -72.4316 -394.744 GPRESSURE: 2214800 22.9233 -109.55 -148.988 -55.9973 -169.177 35.4679 37.6921 -110.691 -367.235 PRESSAVG: 2214800 57.5152 -13.1971 19.8708 -13.1971 -3.58481 -2.37065 19.8708 -2.37069 -13.0177 GPRESSAVG: 2214800 59.0526 -10.9137 20.4766 -12.1703 -5.70397 -1.01045 20.6243 -2.40734 -12.3254 TIMING: 2214800 CPU: 6999.69, 0.00313669/step Wall: 6999.69, 0.00313669/step, 2.42675 hours remaining, 236.562500 MB of memory in use. ENERGY: 2214800 4046.3413 20499.1873 14503.7583 272.4737 -203381.5972 2755.6512 0.0000 0.0000 51957.3725 -109346.8128 298.5997 -161304.1853 -108985.1051 299.3818 -202.7367 -171.1629 761501.1195 13.6376 13.6744 PRESSURE: 2215000 -165.688 -146.251 141.74 -146.252 -193.937 -46.3276 141.74 -46.3283 184.71 GPRESSURE: 2215000 -48.7579 -256.189 227.282 -105.184 -180.547 -21.6383 29.0696 93.5026 154.226 PRESSAVG: 2215000 20.1551 21.9528 -19.8488 21.9528 -12.3549 -0.184513 -19.8488 -0.184451 7.75907 GPRESSAVG: 2215000 17.2399 20.6259 -18.2262 22.5364 -9.24542 -0.482192 -18.3981 -1.64721 7.194 TIMING: 2215000 CPU: 7000.32, 0.00314519/step Wall: 7000.32, 0.00314519/step, 2.43315 hours remaining, 236.562500 MB of memory in use. ENERGY: 2215000 3953.7273 20521.3249 14441.4165 250.3239 -203097.1547 2517.3140 0.0000 0.0000 52045.2286 -109367.8195 299.1046 -161413.0481 -109002.2208 299.8372 -58.3049 -25.0263 761235.4290 5.1864 5.0628 PRESSURE: 2215200 -19.3731 -107.367 128.01 -107.368 86.0725 52.7996 128.01 52.7996 -23.391 GPRESSURE: 2215200 69.6853 -84.1425 108.426 -201.421 91.3179 72.2484 -45.655 -4.10578 -32.922 PRESSAVG: 2215200 -54.4001 31.9277 26.2023 31.9277 7.03153 13.0705 26.2023 13.0705 6.10036 GPRESSAVG: 2215200 -53.8421 33.031 24.0633 27.9014 4.64418 13.6965 24.4646 13.9364 7.71331 TIMING: 2215200 CPU: 7000.95, 0.00315228/step Wall: 7000.95, 0.00315228/step, 2.43846 hours remaining, 236.562500 MB of memory in use. ENERGY: 2215200 3997.6450 20546.7502 14490.3887 225.3407 -203367.6404 2549.6658 0.0000 0.0000 52227.7907 -109330.0594 300.1538 -161557.8501 -108962.0656 299.4298 14.4361 42.6938 762345.8268 -13.7561 -13.8282 PRESSURE: 2215400 4.15669 -231.029 -29.0184 -231.029 67.1248 -94.7045 -29.0185 -94.7056 173.484 GPRESSURE: 2215400 -7.41764 -258.551 11.9887 -319.695 228.761 -107.168 12.5516 -132.49 109.84 PRESSAVG: 2215400 -1.9528 -17.5581 4.05723 -17.5581 2.33261 20.3884 4.05724 20.3883 -17.0707 GPRESSAVG: 2215400 -2.74746 -20.5516 4.58303 -15.1575 3.78423 19.3042 2.52311 20.9973 -18.275 TIMING: 2215400 CPU: 7001.58, 0.00314639/step Wall: 7001.58, 0.00314639/step, 2.43373 hours remaining, 236.562500 MB of memory in use. ENERGY: 2215400 4040.8546 20677.1379 14487.6699 273.5804 -203492.8660 2868.2350 0.0000 0.0000 52141.1549 -109004.2333 299.6559 -161145.3882 -108638.8122 300.1570 81.5886 110.3943 761180.9916 -5.5636 -5.7461 PRESSURE: 2215600 -89.9235 -150.519 -47.7679 -150.52 -267.349 111.317 -47.768 111.317 399.976 GPRESSURE: 2215600 -44.3029 -5.94647 25.5062 32.5975 -247.579 48.3098 -78.9611 224.967 392.246 PRESSAVG: 2215600 -8.96388 13.2121 -39.5245 13.2121 26.521 21.4241 -39.5245 21.4241 -13.6794 GPRESSAVG: 2215600 -6.51325 14.3166 -38.9491 14.3395 25.5792 22.4733 -38.365 19.5739 -15.3809 TIMING: 2215600 CPU: 7002.21, 0.0031432/step Wall: 7002.21, 0.0031432/step, 2.43109 hours remaining, 236.562500 MB of memory in use. ENERGY: 2215600 3976.4133 20615.3577 14515.8118 262.3495 -203292.1645 2765.1425 0.0000 0.0000 52190.6405 -108966.4492 299.9403 -161157.0897 -108598.0489 300.1406 14.2345 33.4547 763060.1696 1.2926 1.2284 PRESSURE: 2215800 6.34241 -95.8236 133.045 -95.8239 12.0073 120.11 133.045 120.111 -110.383 GPRESSURE: 2215800 -5.5632 -116.726 156.414 -70.461 7.15803 136.246 120.255 49.9328 -33.1309 PRESSAVG: 2215800 -32.1058 -11.3113 -9.25926 -11.3114 -23.2229 23.2577 -9.25921 23.2577 -6.68741 GPRESSAVG: 2215800 -33.2951 -10.0283 -10.4828 -13.9806 -25.1205 23.0247 -7.81425 24.7973 -3.9066 TIMING: 2215800 CPU: 7002.84, 0.00313383/step Wall: 7002.84, 0.00313383/step, 2.42367 hours remaining, 236.562500 MB of memory in use. ENERGY: 2215800 3984.8618 20490.4196 14513.8643 233.0037 -203422.9567 2785.3773 0.0000 0.0000 52202.3535 -109213.0766 300.0076 -161415.4301 -108855.9735 299.8573 -30.6777 -10.5120 762485.2927 -20.6720 -20.7741 PRESSURE: 2216000 31.4543 61.7774 197.311 61.7767 -17.8079 223.631 197.31 223.632 -246.328 GPRESSURE: 2216000 -21.2697 73.8417 175.949 17.0462 143.942 133.836 69.3364 403.214 -269.915 PRESSAVG: 2216000 37.1372 4.13491 -20.3433 4.13485 -23.6029 -4.84403 -20.3433 -4.84408 30.6525 GPRESSAVG: 2216000 38.5346 3.89089 -19.9175 6.63647 -21.7937 -4.5768 -21.2364 -6.12255 27.8037 TIMING: 2216000 CPU: 7003.46, 0.0031246/step Wall: 7003.46, 0.0031246/step, 2.41636 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: 2216000 3974.8917 20504.0264 14499.4105 259.6779 -203314.1978 2760.8578 0.0000 0.0000 51857.4736 -109457.8598 298.0256 -161315.3334 -109103.3055 299.3006 -77.5606 -49.0808 761327.6513 14.7289 14.8482 PRESSURE: 2216200 266.901 -101.528 -112.37 -101.528 -268.622 24.5159 -112.37 24.5159 44.1099 GPRESSURE: 2216200 267.034 -5.73048 -98.682 -153.391 -160.547 -24.6011 -74.7888 63.7448 10.3209 PRESSAVG: 2216200 6.29748 11.0988 -15.1806 11.0988 -12.806 -30.7376 -15.1807 -30.7375 0.986575 GPRESSAVG: 2216200 5.30053 9.88891 -16.2697 11.3633 -12.1185 -32.1187 -15.0281 -28.2592 1.42208 TIMING: 2216200 CPU: 7004.08, 0.00311862/step Wall: 7004.08, 0.00311862/step, 2.41156 hours remaining, 236.562500 MB of memory in use. ENERGY: 2216200 3995.1744 20531.5425 14491.3252 265.2667 -203731.8925 2999.7457 0.0000 0.0000 52015.7033 -109433.1346 298.9350 -161448.8379 -109076.1656 299.1809 14.1295 38.9360 761947.5832 -1.8407 -1.7986 LDB: ============= START OF LOAD BALANCING ============== 7016.61 LDB: ============== END OF LOAD BALANCING =============== 7016.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7016.62 LDB: ============= START OF LOAD BALANCING ============== 7016.93 LDB: Largest compute 7050 load 0.031792 is 16.3% of average load 0.195414 LDB: Average compute 0.004388 is 2.2% of average load 0.195414 LDB: TIME 7016.93 LOAD: AVG 0.195414 MAX 0.218976 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.941 MB LDB: TIME 7016.93 LOAD: AVG 0.195414 MAX 0.218976 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: TIME 7016.93 LOAD: AVG 0.195414 MAX 0.218014 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.941 MB LDB: ============== END OF LOAD BALANCING =============== 7016.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7016.94 PRESSURE: 2216400 -29.4001 -49.7286 -120.647 -49.7282 -123.32 96.8119 -120.647 96.8127 161.221 GPRESSURE: 2216400 -17.7539 -50.3785 -70.1314 -57.0974 -185.864 51.9192 -210.031 72.0382 294.934 PRESSAVG: 2216400 36.0545 -9.69089 -6.42069 -9.69088 -34.8954 12.3149 -6.42064 12.315 -37.3248 GPRESSAVG: 2216400 35.1449 -8.78665 -4.2165 -12.5382 -35.642 11.199 -6.32694 13.7672 -36.1135 TIMING: 2216400 CPU: 7004.72, 0.00318834/step Wall: 7004.72, 0.00318834/step, 2.4653 hours remaining, 237.195312 MB of memory in use. ENERGY: 2216400 3951.6728 20664.8183 14502.6490 237.3955 -203323.9499 2613.0522 0.0000 0.0000 51924.4738 -109429.8884 298.4107 -161354.3622 -109065.7903 299.2541 2.8337 30.4387 762106.7734 -12.0552 -12.2035 PRESSURE: 2216600 172.727 82.8946 -206.518 82.8947 -5.36121 121.37 -206.517 121.37 64.787 GPRESSURE: 2216600 188.6 60.8708 -192.946 69.4938 89.9421 95.4583 -137.429 -15.5486 42.3582 PRESSAVG: 2216600 33.2222 29.1174 -48.6585 29.1174 -37.5041 -15.6122 -48.6585 -15.6122 39.5388 GPRESSAVG: 2216600 32.0125 29.6368 -49.5398 30.1717 -37.3375 -12.0699 -49.0297 -18.4661 40.1179 TIMING: 2216600 CPU: 7005.35, 0.00312863/step Wall: 7005.35, 0.00312863/step, 2.41895 hours remaining, 237.261719 MB of memory in use. ENERGY: 2216600 3861.6680 20500.1052 14431.6222 243.1244 -203203.1110 2739.6408 0.0000 0.0000 51911.0071 -109515.9432 298.3333 -161426.9503 -109158.4131 298.8055 77.3843 106.9668 763254.8710 11.7523 11.5976 PRESSURE: 2216800 -107.636 42.1002 17.9319 42.1004 212.464 214.546 17.9305 214.548 -7.47698 GPRESSURE: 2216800 -80.6828 -117.025 -67.8711 -40.8605 266.51 267.181 150.799 173.269 0.601429 PRESSAVG: 2216800 -31.0868 -4.21816 -4.52409 -4.21817 31.5223 -56.5544 -4.52401 -56.5543 -28.9693 GPRESSAVG: 2216800 -29.9206 -5.99967 -5.43228 -5.05288 30.6722 -59.6752 -2.22928 -56.9663 -29.5186 TIMING: 2216800 CPU: 7005.97, 0.00313023/step Wall: 7005.97, 0.00313023/step, 2.42002 hours remaining, 237.261719 MB of memory in use. ENERGY: 2216800 3981.9550 20403.3033 14438.9727 244.4382 -202777.7110 2479.4019 0.0000 0.0000 51877.8041 -109351.8358 298.1425 -161229.6399 -108987.5574 298.6619 32.4506 62.1427 761516.6980 -9.5113 -9.5890 PRESSURE: 2217000 81.1484 -59.6166 34.5476 -59.6162 -317 -4.80044 34.5475 -4.80041 117.968 GPRESSURE: 2217000 72.183 2.19882 29.639 -159.626 -229.902 -45.6452 64.1561 50.5336 110.951 PRESSAVG: 2217000 -11.9209 -13.8443 -4.74122 -13.8442 18.2921 -38.2623 -4.74115 -38.2622 17.4962 GPRESSAVG: 2217000 -12.6947 -11.896 -2.49688 -13.3988 19.104 -37.6434 -5.97749 -36.8915 17.7401 TIMING: 2217000 CPU: 7006.6, 0.00314162/step Wall: 7006.6, 0.00314162/step, 2.42865 hours remaining, 237.261719 MB of memory in use. ENERGY: 2217000 3934.8101 20649.3105 14439.0674 224.3867 -203378.6305 2669.0482 0.0000 0.0000 52118.6331 -109343.3744 299.5265 -161462.0076 -108982.5327 299.0327 -39.2942 -15.5894 762652.0193 7.9558 8.0498 PRESSURE: 2217200 -489.402 -26.1023 -10.5733 -26.1022 -435.045 160.934 -10.5732 160.934 252.485 GPRESSURE: 2217200 -442.272 -43.2987 -10.7154 54.5151 -356.098 29.2822 -55.0798 160.481 207.023 PRESSAVG: 2217200 15.7725 -36.6142 32.8785 -36.6142 -49.3824 -11.7766 32.8785 -11.7766 0.685972 GPRESSAVG: 2217200 16.3788 -36.9586 31.9529 -35.9764 -49.2671 -12.1512 32.1525 -11.616 -0.282025 TIMING: 2217200 CPU: 7007.23, 0.00313681/step Wall: 7007.23, 0.00313681/step, 2.42476 hours remaining, 237.261719 MB of memory in use. ENERGY: 2217200 4063.0422 20431.6927 14427.3403 244.0642 -203267.5351 2621.6297 0.0000 0.0000 52186.9908 -109292.7752 299.9194 -161479.7660 -108921.8365 299.4231 -223.9872 -197.1157 763401.5926 -10.9747 -11.0568 PRESSURE: 2217400 -213.791 269.302 41.9304 269.302 64.0461 -149.871 41.9298 -149.871 -106.906 GPRESSURE: 2217400 -166.808 356.046 113.358 179.222 100.021 -176.751 41.1994 -237.501 -122.122 PRESSAVG: 2217400 -26.0994 38.1055 -28.732 38.1055 7.34086 -29.2782 -28.7321 -29.2782 2.61117 GPRESSAVG: 2217400 -26.9927 37.2667 -28.1517 38.0956 6.82399 -28.3098 -27.8392 -29.0248 3.61404 TIMING: 2217400 CPU: 7007.85, 0.00312488/step Wall: 7007.85, 0.00312488/step, 2.41536 hours remaining, 237.261719 MB of memory in use. ENERGY: 2217400 3943.2308 20380.6007 14424.0851 252.9181 -203359.8599 2956.8192 0.0000 0.0000 52012.4916 -109389.7144 298.9165 -161402.2060 -109027.0672 298.8972 -85.5503 -62.9697 762672.7577 -5.3824 -5.5182 PRESSURE: 2217600 16.147 -211.951 17.7744 -211.952 60.4344 -192.685 17.7748 -192.685 107.311 GPRESSURE: 2217600 46.3767 -144.459 8.98023 -177.302 57.737 -168.651 -50.1176 -78.1514 157.076 PRESSAVG: 2217600 -18.1584 18.3193 -9.47076 18.3192 33.9044 5.80705 -9.4707 5.80714 3.17952 GPRESSAVG: 2217600 -17.6075 19.1558 -9.61702 19.7702 32.6362 5.74054 -10.6547 4.73666 3.36215 TIMING: 2217600 CPU: 7008.48, 0.00313355/step Wall: 7008.48, 0.00313355/step, 2.42189 hours remaining, 237.261719 MB of memory in use. ENERGY: 2217600 4006.3218 20664.9277 14470.8227 257.0046 -203101.7536 2650.5208 0.0000 0.0000 52091.9955 -108960.1606 299.3734 -161052.1561 -108608.3219 299.6986 61.2974 87.0633 762847.9978 6.3085 6.1303 PRESSURE: 2217800 8.43251 -59.851 26.9952 -59.8517 60.7759 77.3432 26.9954 77.3436 151.451 GPRESSURE: 2217800 19.8596 -82.6153 140.949 -32.4178 125.381 130.339 12.4348 106.762 172.955 PRESSAVG: 2217800 -14.8585 8.02421 -14.242 8.02424 11.9114 -25.725 -14.242 -25.7251 6.53191 GPRESSAVG: 2217800 -15.317 8.11598 -14.3842 5.95361 14.2565 -25.3422 -13.6696 -25.654 4.21927 TIMING: 2217800 CPU: 7009.11, 0.00314283/step Wall: 7009.11, 0.00314283/step, 2.42889 hours remaining, 237.261719 MB of memory in use. ENERGY: 2217800 3979.4292 20501.1529 14572.3852 243.2829 -203152.3951 2555.6229 0.0000 0.0000 52177.5405 -109122.9815 299.8650 -161300.5220 -108758.8943 299.8126 73.5531 106.0654 761874.8521 1.1949 1.0529 PRESSURE: 2218000 130.537 144.432 79.1028 144.432 84.0216 -187.999 79.1027 -187.998 -230.401 GPRESSURE: 2218000 156.464 116.124 37.731 102.273 104.977 -170.983 139.613 -261.92 -188.888 PRESSAVG: 2218000 19.5144 19.948 -10.5294 19.9481 4.95096 -16.3655 -10.5294 -16.3656 -6.06997 GPRESSAVG: 2218000 20.8159 19.648 -10.1772 18.3667 3.25389 -16.3361 -11.1634 -14.7929 -5.37412 TIMING: 2218000 CPU: 7009.74, 0.00315014/step Wall: 7009.74, 0.00315014/step, 2.43435 hours remaining, 237.261719 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: 2218000 3969.3203 20462.6867 14521.8558 252.5895 -203271.4321 2835.4067 0.0000 0.0000 51930.5702 -109299.0027 298.4457 -161229.5729 -108932.2881 299.6698 -5.2807 24.1842 762624.6687 6.1318 6.2319 PRESSURE: 2218200 -290.316 129.808 -36.9228 129.808 -138.915 -178.375 -36.9233 -178.375 44.0206 GPRESSURE: 2218200 -196.537 106.274 84.7514 172.325 -218.455 -138.2 -33.5393 -112.349 85.9553 PRESSAVG: 2218200 26.0781 3.21227 14.6137 3.21231 -18.0364 -3.0137 14.6137 -3.01373 -12.9964 GPRESSAVG: 2218200 24.402 3.63498 15.1522 6.18139 -17.7861 -3.93451 15.367 -2.63498 -11.928 TIMING: 2218200 CPU: 7010.37, 0.00313515/step Wall: 7010.37, 0.00313515/step, 2.4226 hours remaining, 237.261719 MB of memory in use. ENERGY: 2218200 3967.9451 20639.8752 14448.9206 255.2369 -203052.8091 2388.7362 0.0000 0.0000 51952.3884 -109399.7068 298.5711 -161352.0952 -109032.3426 299.1082 -128.4033 -109.6788 764923.9444 -1.6516 -1.7707 PRESSURE: 2218400 12.4547 -101.433 -16.3594 -101.433 -98.4424 -199.263 -16.3594 -199.262 -97.8313 GPRESSURE: 2218400 -20.7718 -35.3835 17.4254 -98.4448 -73.3821 -274.134 44.9871 -120.451 -4.36514 PRESSAVG: 2218400 33.6943 55.0333 -8.96824 55.0332 -19.7087 8.12702 -8.96827 8.12701 -11.1147 GPRESSAVG: 2218400 35.2772 53.9029 -10.2135 55.4352 -21.1247 7.85742 -7.22812 7.8058 -11.3891 TIMING: 2218400 CPU: 7010.99, 0.00313399/step Wall: 7010.99, 0.00313399/step, 2.42153 hours remaining, 237.261719 MB of memory in use. ENERGY: 2218400 4001.7333 20537.9262 14490.5234 229.5976 -203524.9678 2624.7856 0.0000 0.0000 52163.4768 -109476.9249 299.7842 -161640.4017 -109103.2441 299.4918 -61.2730 -32.8397 763241.2244 0.9570 0.9211 PRESSURE: 2218600 73.8275 16.8075 57.0407 16.8071 191.645 -59.7068 57.0413 -59.7054 83.0774 GPRESSURE: 2218600 160.791 -60.4454 -76.38 79.2396 242.696 54.3676 189.786 -26.6511 30.4146 PRESSAVG: 2218600 -45.5046 10.3504 8.12106 10.3505 26.3334 -41.8612 8.12114 -41.8611 11.8913 GPRESSAVG: 2218600 -46.7222 12.2509 7.11682 9.58113 27.6146 -40.9439 6.25096 -40.9866 11.8208 TIMING: 2218600 CPU: 7011.62, 0.0031341/step Wall: 7011.62, 0.0031341/step, 2.42144 hours remaining, 237.261719 MB of memory in use. ENERGY: 2218600 3985.4449 20492.1307 14534.5548 219.6530 -203945.7899 3144.6824 0.0000 0.0000 52104.5463 -109464.7778 299.4455 -161569.3241 -109090.4849 299.3752 116.1833 144.6336 763823.8770 -2.4266 -2.4289 PRESSURE: 2218800 39.4883 -121.61 -34.3054 -121.611 -115.534 -77.7338 -34.3057 -77.731 73.6724 GPRESSURE: 2218800 159.916 -19.3809 -44.6128 -183.306 -140.111 -113.75 -45.39 -38.0651 70.6463 PRESSAVG: 2218800 16.4504 23.7202 42.8438 23.7201 7.67137 -33.5215 42.8437 -33.5215 7.5402 GPRESSAVG: 2218800 18.3052 22.5295 44.7627 23.7706 7.072 -32.8604 42.1297 -32.4062 6.15454 TIMING: 2218800 CPU: 7012.25, 0.00313648/step Wall: 7012.25, 0.00313648/step, 2.42311 hours remaining, 237.261719 MB of memory in use. ENERGY: 2218800 4018.2420 20657.5026 14508.0230 252.3475 -203750.7306 2905.4001 0.0000 0.0000 52220.1707 -109189.0448 300.1100 -161409.2154 -108812.5783 299.5995 -0.7913 30.1503 762148.6882 10.5540 10.5106 PRESSURE: 2219000 -0.214567 -263.978 -34.3951 -263.977 229.281 -76.4796 -34.3949 -76.4785 41.6694 GPRESSURE: 2219000 57.7222 -193.072 -79.1633 -209.202 148.108 -81.3291 127.322 -178.91 131.99 PRESSAVG: 2219000 -8.64181 26.5396 -26.1378 26.5396 10.0648 -43.1494 -26.1378 -43.1494 7.47446 GPRESSAVG: 2219000 -8.53949 27.4769 -25.5546 24.9378 9.55667 -43.5759 -26.0904 -45.4432 8.00429 TIMING: 2219000 CPU: 7012.88, 0.003139/step Wall: 7012.88, 0.003139/step, 2.42488 hours remaining, 237.261719 MB of memory in use. ENERGY: 2219000 3895.8212 20509.4648 14421.4018 264.2990 -203615.1357 2801.4626 0.0000 0.0000 52451.9874 -109270.6988 301.4423 -161722.6862 -108914.1682 299.9349 90.2453 112.6069 760951.1107 2.9658 3.0072 PRESSURE: 2219200 83.4909 -60.6678 0.814523 -60.6674 -244.905 -127.066 0.814634 -127.066 36.6403 GPRESSURE: 2219200 104.835 -48.1721 -16.8765 -87.912 -106.563 -119.165 158.67 -129.002 -46.1932 PRESSAVG: 2219200 95.9825 -6.62899 35.6367 -6.62894 -42.829 -35.2121 35.6367 -35.2122 5.71594 GPRESSAVG: 2219200 94.0391 -6.84419 33.1765 -8.04523 -41.4761 -33.9644 38.6373 -35.8792 6.2352 TIMING: 2219200 CPU: 7013.5, 0.003143/step Wall: 7013.5, 0.003143/step, 2.42779 hours remaining, 237.261719 MB of memory in use. ENERGY: 2219200 4072.2664 20540.7803 14500.5459 255.0861 -202794.5289 2390.1117 0.0000 0.0000 51844.7261 -109191.0125 297.9524 -161035.7386 -108835.5929 300.0322 -41.5913 -15.9737 760030.5659 19.6232 19.5994 PRESSURE: 2219400 14.128 9.47713 42.8086 9.47655 284.514 -69.8349 42.8077 -69.8353 -50.2942 GPRESSURE: 2219400 18.201 -72.0263 -6.4502 89.0361 293.784 50.8854 -66.0963 -33.4812 16.8787 PRESSAVG: 2219400 15.9069 27.7637 -7.695 27.7637 18.0803 -18.5768 -7.69503 -18.5768 16.361 GPRESSAVG: 2219400 16.6566 28.5911 -7.07359 29.6905 17.68 -20.8697 -11.1324 -16.1392 16.083 TIMING: 2219400 CPU: 7014.13, 0.00312535/step Wall: 7014.13, 0.00312535/step, 2.41399 hours remaining, 237.261719 MB of memory in use. ENERGY: 2219400 3956.2406 20552.8461 14473.5728 245.6308 -203143.9952 2453.0221 0.0000 0.0000 52040.9838 -109421.6991 299.0802 -161462.6829 -109061.7233 299.1223 82.7825 109.6212 760117.6873 16.7827 16.8065 PRESSURE: 2219600 56.7187 -47.3733 -110.749 -47.3732 -33.451 87.0945 -110.749 87.0931 222.94 GPRESSURE: 2219600 81.2868 24.7167 -117.874 -39.244 -9.7026 54.0362 -152.501 -40.9499 256.255 PRESSAVG: 2219600 -16.1394 2.39094 -8.11127 2.39103 36.3375 0.487051 -8.11131 0.487001 4.39923 GPRESSAVG: 2219600 -16.5879 1.87523 -9.24841 1.65288 36.3641 1.68638 -6.60122 -1.5882 4.36421 TIMING: 2219600 CPU: 7014.75, 0.00312121/step Wall: 7014.75, 0.00312121/step, 2.41062 hours remaining, 237.261719 MB of memory in use. ENERGY: 2219600 3871.1494 20546.2240 14534.1720 247.0392 -203307.0601 2789.6482 0.0000 0.0000 51940.5400 -109378.2874 298.5030 -161318.8274 -109030.0736 299.4256 82.0693 109.2797 761380.8537 8.1991 8.0468 PRESSURE: 2219800 86.2457 190.44 -78.3131 190.44 -97.6855 -56.2959 -78.3135 -56.2955 -228.234 GPRESSURE: 2219800 94.1661 190.222 -58.7846 52.9941 -22.4307 -1.47344 2.626 36.9189 -228.52 PRESSAVG: 2219800 43.1816 40.7829 -34.2079 40.7829 -63.2025 -28.9367 -34.2079 -28.9367 6.24317 GPRESSAVG: 2219800 43.108 40.2933 -33.1456 40.9245 -62.4568 -29.5187 -32.3179 -27.5025 5.43778 TIMING: 2219800 CPU: 7015.38, 0.00311419/step Wall: 7015.38, 0.00311419/step, 2.40502 hours remaining, 237.261719 MB of memory in use. ENERGY: 2219800 3904.5911 20384.2941 14456.8965 270.4639 -203394.8695 2767.5430 0.0000 0.0000 52245.4686 -109365.6122 300.2554 -161611.0808 -108999.7014 299.0616 -79.8911 -52.2615 762799.6188 -4.5926 -4.6370 PRESSURE: 2220000 -138.737 -4.02851 -127.462 -4.02833 -231.157 225.055 -127.463 225.055 -425.367 GPRESSURE: 2220000 -150.742 -40.5291 -113.522 67.8763 -130.644 185.175 -239.711 298.895 -422.125 PRESSAVG: 2220000 22.4266 57.8241 -16.3529 57.824 32.6819 62.8667 -16.3529 62.8666 -6.59485 GPRESSAVG: 2220000 22.4617 56.2589 -17.519 58.3675 31.3966 63.6814 -18.5717 63.9017 -6.2599 TIMING: 2220000 CPU: 7016, 0.0031041/step Wall: 7016, 0.0031041/step, 2.39706 hours remaining, 237.261719 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: 2220000 4024.6776 20517.5063 14496.2275 245.1582 -203269.2158 2798.5800 0.0000 0.0000 51835.2764 -109351.7898 297.8980 -161187.0662 -108988.0149 299.1623 -265.0867 -234.5036 763143.0752 16.1712 15.8661 PRESSURE: 2220200 -343.688 -94.9891 72.1683 -94.9897 195.662 -112.692 72.1678 -112.692 29.2146 GPRESSURE: 2220200 -296.16 -38.8436 10.0301 52.7571 218.096 -72.1845 86.1209 -127.613 62.4168 PRESSAVG: 2220200 -17.1249 10.3348 -26.6712 10.3348 -10.9325 -10.5747 -26.6711 -10.5746 -8.53358 GPRESSAVG: 2220200 -17.7278 11.97 -25.7228 8.76488 -10.9538 -10.1462 -27.2348 -14.0034 -8.54212 TIMING: 2220200 CPU: 7016.62, 0.00311766/step Wall: 7016.62, 0.00311766/step, 2.40735 hours remaining, 237.261719 MB of memory in use. ENERGY: 2220200 3933.2637 20485.6221 14502.8400 231.5205 -202933.0757 2560.9224 0.0000 0.0000 51997.7900 -109221.1171 298.8320 -161218.9071 -108857.5538 299.7665 -39.6038 -5.2160 763759.7897 -12.1970 -12.4079 LDB: ============= START OF LOAD BALANCING ============== 7029.15 LDB: ============== END OF LOAD BALANCING =============== 7029.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7029.15 LDB: ============= START OF LOAD BALANCING ============== 7029.46 LDB: Largest compute 7031 load 0.031945 is 16.3% of average load 0.195604 LDB: Average compute 0.004391 is 2.2% of average load 0.195604 LDB: TIME 7029.47 LOAD: AVG 0.195604 MAX 0.214829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.195 MB LDB: TIME 7029.47 LOAD: AVG 0.195604 MAX 0.214829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: TIME 7029.47 LOAD: AVG 0.195604 MAX 0.214829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: ============== END OF LOAD BALANCING =============== 7029.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7029.47 PRESSURE: 2220400 -157.863 115.823 -20.8353 115.823 79.1117 -53.2219 -20.8345 -53.222 -301.14 GPRESSURE: 2220400 -138.444 157.687 -14.0197 169.222 126.105 -77.9274 -121.695 13.4096 -281.752 PRESSAVG: 2220400 -37.7868 53.6445 -21.8054 53.6445 21.3344 19.2865 -21.8054 19.2865 -9.49758 GPRESSAVG: 2220400 -37.763 52.4091 -20.3592 57.0064 21.452 17.5897 -21.6098 21.3398 -9.42499 TIMING: 2220400 CPU: 7017.26, 0.00318831/step Wall: 7017.26, 0.00318831/step, 2.46173 hours remaining, 236.222656 MB of memory in use. ENERGY: 2220400 4029.5648 20474.1952 14480.2558 237.0713 -203345.7104 2663.9109 0.0000 0.0000 52188.5491 -109272.1634 299.9283 -161460.7125 -108905.9096 299.2407 -126.6306 -98.0302 762995.1665 -8.6500 -8.5787 PRESSURE: 2220600 -119.676 -6.39185 -46.9364 -6.39134 -122.58 -61.1272 -46.9371 -61.1279 -334.273 GPRESSURE: 2220600 -130.481 48.7263 8.59419 -5.80215 -38.2943 -111.484 -7.01858 -158.004 -305.644 PRESSAVG: 2220600 -35.9624 -19.5704 -43.5998 -19.5704 44.9835 -11.7334 -43.5999 -11.7334 -12.1063 GPRESSAVG: 2220600 -35.8707 -17.3432 -45.1236 -22.022 45.8524 -10.8415 -43.1634 -11.7991 -12.6911 TIMING: 2220600 CPU: 7017.88, 0.003131/step Wall: 7017.88, 0.003131/step, 2.4173 hours remaining, 236.281250 MB of memory in use. ENERGY: 2220600 3982.8102 20502.6125 14461.5179 249.0857 -203280.2219 2703.1619 0.0000 0.0000 52071.6659 -109309.3678 299.2566 -161381.0337 -108954.1008 299.2486 -192.1762 -158.1398 761609.2992 -1.0284 -0.9032 PRESSURE: 2220800 17.4663 93.9449 72.1574 93.9443 -153.34 129.152 72.1575 129.152 -78.0422 GPRESSURE: 2220800 68.6727 22.644 41.8488 71.8915 -103.965 96.6253 68.8252 42.6766 -96.1108 PRESSAVG: 2220800 -88.389 -55.2919 -33.8113 -55.2919 7.42095 25.1858 -33.8113 25.1857 7.86469 GPRESSAVG: 2220800 -88.6991 -57.7713 -32.4686 -54.241 7.10773 25.4245 -32.5418 24.2429 8.47448 TIMING: 2220800 CPU: 7018.51, 0.00313448/step Wall: 7018.51, 0.00313448/step, 2.41981 hours remaining, 236.496094 MB of memory in use. ENERGY: 2220800 4014.3456 20366.6249 14467.1547 240.5766 -203030.0350 2600.6704 0.0000 0.0000 51956.7753 -109383.8875 298.5963 -161340.6628 -109023.8303 298.9555 -71.3052 -43.8009 764662.0556 -24.3678 -24.3723 PRESSURE: 2221000 -234.477 -211.446 140.694 -211.446 220.89 117.043 140.694 117.043 -104.962 GPRESSURE: 2221000 -176.529 -180.699 87.6261 -219.464 177.258 107.669 208.448 188.979 -39.3851 PRESSAVG: 2221000 15.7205 -43.3758 38.9067 -43.3758 8.13561 9.57864 38.9066 9.57856 15.7714 GPRESSAVG: 2221000 17.1225 -44.2757 37.9536 -41.9672 8.34869 9.67994 39.2584 7.65863 14.5561 TIMING: 2221000 CPU: 7019.14, 0.00313362/step Wall: 7019.14, 0.00313362/step, 2.41898 hours remaining, 236.496094 MB of memory in use. ENERGY: 2221000 4008.6415 20539.6439 14424.6288 248.3256 -203749.1563 2855.2814 0.0000 0.0000 52206.6681 -109465.9671 300.0324 -161672.6352 -109107.4806 298.9393 -39.5164 -12.8855 761307.0995 13.2092 13.3424 PRESSURE: 2221200 -105.499 -225.132 19.2002 -225.132 278.163 -31.9011 19.2003 -31.9009 -89.1018 GPRESSURE: 2221200 1.97628 -198.376 3.00132 -100.47 298.108 -112.826 32.431 18.7061 -143.545 PRESSAVG: 2221200 6.04285 -36.3245 33.4956 -36.3246 52.8371 -7.2132 33.4957 -7.21319 -13.1344 GPRESSAVG: 2221200 4.6274 -33.9334 34.567 -37.5545 52.2304 -7.48848 32.9977 -5.54228 -11.4583 TIMING: 2221200 CPU: 7019.76, 0.00313217/step Wall: 7019.76, 0.00313217/step, 2.41768 hours remaining, 236.496094 MB of memory in use. ENERGY: 2221200 3978.6017 20468.1792 14472.1080 252.9189 -203163.8394 2498.8846 0.0000 0.0000 51969.7581 -109523.3890 298.6709 -161493.1471 -109158.1245 298.3741 27.8538 52.1798 762812.8292 15.2485 15.1331 PRESSURE: 2221400 34.7026 -140.135 95.3137 -140.135 -340.685 110.654 95.313 110.653 -59.094 GPRESSURE: 2221400 46.1646 -158.614 80.7556 -103.921 -330.467 84.8033 96.712 -1.67166 -5.03479 PRESSAVG: 2221400 -47.4675 -63.2497 24.9116 -63.2497 51.9311 44.9568 24.9115 44.9569 -8.62168 GPRESSAVG: 2221400 -47.6827 -64.4285 22.7542 -62.4335 52.5034 44.5876 25.0335 45.4506 -9.1749 TIMING: 2221400 CPU: 7020.39, 0.0031283/step Wall: 7020.39, 0.0031283/step, 2.41453 hours remaining, 236.496094 MB of memory in use. ENERGY: 2221400 3919.3588 20490.3030 14535.3893 226.7359 -203006.2942 2392.3141 0.0000 0.0000 51931.8022 -109510.3908 298.4528 -161442.1930 -109157.3418 298.6504 -121.6922 -96.4456 762214.0741 -1.3860 -1.4514 PRESSURE: 2221600 -22.1311 34.1276 -216.046 34.128 -202.762 -37.1888 -216.046 -37.1881 1.47791 GPRESSURE: 2221600 2.53934 7.84118 -223.437 -14.5854 -143.853 59.5837 -72.077 69.2328 -4.62923 PRESSAVG: 2221600 -4.34785 -60.2685 -8.13126 -60.2684 26.3804 58.6978 -8.13126 58.6978 39.867 GPRESSAVG: 2221600 -4.10751 -60.2981 -6.52807 -61.1122 27.821 57.542 -9.58215 58.4096 38.4206 TIMING: 2221600 CPU: 7021.02, 0.00315238/step Wall: 7021.02, 0.00315238/step, 2.43294 hours remaining, 236.496094 MB of memory in use. ENERGY: 2221600 3933.0645 20465.3660 14467.6040 241.3774 -202779.1326 2384.0967 0.0000 0.0000 51850.6990 -109436.9251 297.9867 -161287.6240 -109081.6687 299.2391 -74.4716 -48.6476 763395.0249 20.6332 20.7114 PRESSURE: 2221800 41.5175 -71.7918 -1.53377 -71.7928 172.099 -88.1896 -1.53404 -88.1895 410.032 GPRESSURE: 2221800 4.94903 -135.492 33.7189 -139.66 263.655 -37.6573 -75.876 41.0361 449.456 PRESSAVG: 2221800 -26.3967 -52.5829 -48.2764 -52.5829 4.01089 -39.7543 -48.2764 -39.7544 -22.1862 GPRESSAVG: 2221800 -25.4875 -52.3245 -47.8027 -53.1609 2.94115 -37.9381 -47.1559 -40.0533 -21.2735 TIMING: 2221800 CPU: 7021.65, 0.00314713/step Wall: 7021.65, 0.00314713/step, 2.42871 hours remaining, 236.496094 MB of memory in use. ENERGY: 2221800 3958.3413 20344.8453 14512.0406 249.7267 -203534.5081 3063.2704 0.0000 0.0000 51886.7307 -109519.5531 298.1938 -161406.2838 -109153.9324 298.5871 207.8829 239.3535 762531.5399 -14.8574 -14.6067 PRESSURE: 2222000 164.425 -31.3613 36.8448 -31.3619 -96.8657 1.49531 36.845 1.49568 -1.08451 GPRESSURE: 2222000 186.401 31.958 4.89048 -59.5358 11.023 -32.0652 80.3006 -162.032 -38.79 PRESSAVG: 2222000 -28.453 -39.9586 37.227 -39.9586 57.3993 -44.7495 37.227 -44.7495 23.4767 GPRESSAVG: 2222000 -28.9271 -39.2885 37.0349 -39.4106 57.6533 -45.2998 35.2098 -43.7493 23.8182 TIMING: 2222000 CPU: 7022.28, 0.00313889/step Wall: 7022.28, 0.00313889/step, 2.42218 hours remaining, 236.496094 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: 2222000 4116.2051 20317.2280 14460.4107 263.6847 -203735.3291 3117.8295 0.0000 0.0000 52010.9823 -109448.9889 298.9078 -161459.9712 -109091.8192 298.6742 22.1583 52.8781 761680.5137 17.4743 17.5148 PRESSURE: 2222200 -156.172 -148.842 45.4341 -148.841 82.4713 107.888 45.4344 107.888 102.068 GPRESSURE: 2222200 -102.985 -131.413 -60.5241 -11.913 69.048 4.52972 27.2726 97.9265 132.022 PRESSAVG: 2222200 4.72478 7.0096 -19.1696 7.00964 24.3864 -26.3859 -19.1696 -26.3859 -15.9867 GPRESSAVG: 2222200 5.33983 6.59779 -20.7997 8.91225 23.7542 -26.205 -17.3965 -26.6061 -16.6164 TIMING: 2222200 CPU: 7022.9, 0.00313601/step Wall: 7022.9, 0.00313601/step, 2.41978 hours remaining, 236.496094 MB of memory in use. ENERGY: 2222200 4007.9208 20432.6205 14493.8520 248.9048 -203150.6084 2714.2451 0.0000 0.0000 51746.9626 -109506.1026 297.3905 -161253.0653 -109143.4552 298.6765 9.4560 32.6951 762271.7217 4.3748 4.1592 PRESSURE: 2222400 -57.0714 129.756 -161.136 129.755 253.165 -95.5287 -161.137 -95.5287 41.407 GPRESSURE: 2222400 -37.5684 177.943 -96.1003 123.409 269.302 12.205 -134.053 -147.84 89.5932 PRESSAVG: 2222400 -69.8097 7.88994 -6.56454 7.88984 71.2464 19.4805 -6.5646 19.4805 7.12662 GPRESSAVG: 2222400 -70.8961 9.01201 -5.59106 5.95408 71.1637 20.2424 -5.72551 17.0173 8.13986 TIMING: 2222400 CPU: 7023.53, 0.00313088/step Wall: 7023.53, 0.00313088/step, 2.41565 hours remaining, 236.496094 MB of memory in use. ENERGY: 2222400 3979.2805 20358.4400 14457.2686 217.6149 -203391.6146 2780.1786 0.0000 0.0000 52065.3490 -109533.4830 299.2203 -161598.8320 -109180.2499 298.6626 79.1669 107.1089 760837.4770 2.8544 2.8025 PRESSURE: 2222600 -321.501 -62.2467 -121.508 -62.2466 -95.4766 218.338 -121.508 218.337 72.5857 GPRESSURE: 2222600 -310.623 -56.8784 -194.606 -28.3381 -41.776 246.267 -283.341 129.909 80.7783 PRESSAVG: 2222600 -63.3502 -7.24072 3.10061 -7.24072 67.2446 -9.71487 3.1006 -9.71492 9.3376 GPRESSAVG: 2222600 -63.7853 -7.03183 3.43299 -8.77166 67.4266 -10.3749 1.77563 -7.43501 9.00333 TIMING: 2222600 CPU: 7024.15, 0.00311436/step Wall: 7024.15, 0.00311436/step, 2.40273 hours remaining, 236.496094 MB of memory in use. ENERGY: 2222600 3970.1346 20397.4648 14486.5617 252.3717 -202671.6049 2298.3186 0.0000 0.0000 51780.5007 -109486.2528 297.5832 -161266.7535 -109125.7419 298.7050 -114.7974 -90.5404 762367.1566 4.4107 4.2149 PRESSURE: 2222800 -137.706 -110.752 66.8197 -110.751 278.387 34.1865 66.8207 34.1869 -46.8229 GPRESSURE: 2222800 -184.229 -41.199 109.905 -31.1055 421.976 68.3051 119.618 34.118 -59.286 PRESSAVG: 2222800 -83.7728 14.1037 -25.1945 14.1037 36.6722 -16.7531 -25.1946 -16.7531 5.82423 GPRESSAVG: 2222800 -83.2664 14.0982 -22.4452 16.5855 37.6184 -16.1137 -24.3467 -18.6473 4.28172 TIMING: 2222800 CPU: 7024.78, 0.00311157/step Wall: 7024.78, 0.00311156/step, 2.4004 hours remaining, 236.496094 MB of memory in use. ENERGY: 2222800 3967.9799 20578.4241 14456.6972 227.4645 -203210.5620 2567.1121 0.0000 0.0000 51915.2307 -109497.6535 298.3575 -161412.8843 -109143.9746 298.7882 31.2862 59.4870 759982.4789 -13.7588 -13.7888 PRESSURE: 2223000 -147.212 -113.237 -48.9424 -113.238 -58.293 -70.4038 -48.9424 -70.4048 -294.691 GPRESSURE: 2223000 -235.822 -207.472 -31.6168 -56.5851 -11.2942 -59.7861 -133.567 -21.7606 -173.845 PRESSAVG: 2223000 -39.3106 -0.0771466 -31.5757 -0.0771492 110.822 43.1593 -31.5757 43.1594 -31.0456 GPRESSAVG: 2223000 -40.7118 -1.63336 -35.7489 -0.726327 109.884 43.5419 -30.0379 42.2266 -28.886 TIMING: 2223000 CPU: 7025.4, 0.00311621/step Wall: 7025.4, 0.00311621/step, 2.40381 hours remaining, 236.496094 MB of memory in use. ENERGY: 2223000 3883.4878 20459.6937 14527.9930 255.0655 -203213.8399 2519.8541 0.0000 0.0000 52055.7478 -109511.9980 299.1651 -161567.7458 -109150.1044 298.8103 -166.7320 -140.3205 761747.1893 13.4887 13.4286 PRESSURE: 2223200 52.1611 24.4569 -64.3307 24.4562 284.505 -34.0737 -64.3311 -34.0743 431.594 GPRESSURE: 2223200 115.39 -152.755 -48.7836 60.5338 355.113 -46.8872 -19.7653 -40.9122 382.501 PRESSAVG: 2223200 -81.0484 22.5947 -50.6425 22.5947 55.5157 37.9992 -50.6424 37.9992 16.6426 GPRESSAVG: 2223200 -79.3343 20.8783 -47.7264 24.3504 55.4946 39.1339 -52.9894 39.0668 15.6503 TIMING: 2223200 CPU: 7026.02, 0.00312499/step Wall: 7026.02, 0.00312499/step, 2.41041 hours remaining, 236.496094 MB of memory in use. ENERGY: 2223200 3961.4877 20299.9432 14444.3964 230.0456 -203079.8422 2708.5630 0.0000 0.0000 51988.6838 -109446.7224 298.7797 -161435.4062 -109085.1208 298.5596 256.0866 284.3348 761654.9353 -2.9634 -2.7298 PRESSURE: 2223400 -144.243 -37.5652 50.5788 -37.5652 196.142 85.0456 50.5782 85.0454 62.8318 GPRESSURE: 2223400 34.6883 -42.8382 108.406 -118.014 142.763 97.3605 32.7526 40.209 36.3718 PRESSAVG: 2223400 -5.85632 11.3425 -14.918 11.3426 33.9352 -14.9447 -14.918 -14.9448 -1.46305 GPRESSAVG: 2223400 -5.95379 13.947 -16.22 8.90143 33.3441 -15.7383 -15.6221 -15.7866 -0.525897 TIMING: 2223400 CPU: 7026.65, 0.00313936/step Wall: 7026.65, 0.00313936/step, 2.42132 hours remaining, 236.496094 MB of memory in use. ENERGY: 2223400 4007.4139 20398.5400 14554.6548 248.3854 -203164.8693 2548.6780 0.0000 0.0000 51970.6285 -109436.5687 298.6759 -161407.1971 -109086.0084 298.4992 38.2437 71.2743 761127.7444 8.8719 8.9548 PRESSURE: 2223600 2.56932 -21.6857 -15.1588 -21.686 104.888 -33.7599 -15.1595 -33.7591 480.259 GPRESSURE: 2223600 -62.2646 -35.5175 -29.4747 -104.425 229.617 -150.661 69.8712 48.1274 487.002 PRESSAVG: 2223600 20.4054 22.8388 -1.11143 22.8388 10.9855 -33.6035 -1.11148 -33.6035 1.35037 GPRESSAVG: 2223600 20.0492 22.2472 0.821571 23.1 11.8889 -33.263 -1.56392 -32.5803 0.773703 TIMING: 2223600 CPU: 7027.28, 0.00314568/step Wall: 7027.28, 0.00314568/step, 2.42602 hours remaining, 236.496094 MB of memory in use. ENERGY: 2223600 4005.4410 20503.5143 14475.4700 252.8624 -203175.8297 2787.2872 0.0000 0.0000 51917.7963 -109233.4585 298.3723 -161151.2548 -108878.9158 299.0916 195.9055 218.1179 761918.6571 10.9138 10.9040 PRESSURE: 2223800 -45.8486 -122.768 2.07301 -122.768 -195.527 -45.5922 2.07254 -45.5916 401.162 GPRESSURE: 2223800 0.508531 -227.105 46.5565 35.8938 -106.143 -87.8559 2.37046 -184.203 342.597 PRESSAVG: 2223800 -24.1242 -2.66932 -24.735 -2.66932 16.8877 -40.3733 -24.735 -40.3733 19.2379 GPRESSAVG: 2223800 -24.5215 -4.57283 -26.6063 -1.9541 17.181 -40.4048 -24.5849 -40.0849 19.0178 TIMING: 2223800 CPU: 7027.91, 0.00312901/step Wall: 7027.91, 0.00312901/step, 2.41299 hours remaining, 236.496094 MB of memory in use. ENERGY: 2223800 4017.5741 20500.7834 14508.9812 252.8264 -203238.2852 2594.0859 0.0000 0.0000 52011.7951 -109352.2392 298.9125 -161364.0342 -108995.5698 298.7222 53.2621 78.9875 763235.6814 4.0005 3.8924 PRESSURE: 2224000 -72.542 98.6985 -119.667 98.6984 62.1039 37.2745 -119.667 37.2737 221.832 GPRESSURE: 2224000 -3.79416 88.6539 -42.5866 0.416834 49.2032 61.436 -122.571 41.7338 254.124 PRESSAVG: 2224000 -6.64659 8.21063 -33.509 8.21068 8.52774 -3.48681 -33.509 -3.48682 -19.0466 GPRESSAVG: 2224000 -5.53374 11.2182 -32.5423 5.7294 8.44439 -3.99128 -34.1338 -3.8245 -19.4985 TIMING: 2224000 CPU: 7028.53, 0.00313236/step Wall: 7028.53, 0.00313236/step, 2.41539 hours remaining, 236.496094 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: 2224000 3996.9081 20451.8230 14452.2913 242.7395 -203410.2457 2584.0337 0.0000 0.0000 52376.6467 -109305.8034 301.0093 -161682.4501 -108947.1394 299.1844 70.4647 99.8443 760949.6589 -5.7218 -5.5293 PRESSURE: 2224200 -10.8312 -170.441 99.6065 -170.441 272.274 41.8125 99.6063 41.8131 -3.5868 GPRESSURE: 2224200 -10.6336 -41.9726 63.4649 -182.47 377.067 21.8792 128.816 101.72 -13.1612 PRESSAVG: 2224200 -13.7076 -44.2075 -12.6305 -44.2075 22.329 -6.82099 -12.6305 -6.821 11.8111 GPRESSAVG: 2224200 -14.1004 -43.0867 -13.0278 -43.4037 21.8892 -6.51355 -11.9712 -6.29277 12.9354 TIMING: 2224200 CPU: 7029.16, 0.00313836/step Wall: 7029.16, 0.00313836/step, 2.41985 hours remaining, 236.496094 MB of memory in use. ENERGY: 2224200 3986.8411 20443.5961 14474.0863 255.7934 -203257.0910 2735.0729 0.0000 0.0000 52017.9251 -109343.7760 298.9477 -161361.7012 -108984.3479 299.5167 85.9520 117.7574 760680.6026 6.8109 6.9081 LDB: ============= START OF LOAD BALANCING ============== 7041.69 LDB: ============== END OF LOAD BALANCING =============== 7041.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7041.69 LDB: ============= START OF LOAD BALANCING ============== 7042 LDB: Largest compute 7056 load 0.032094 is 16.4% of average load 0.195501 LDB: Average compute 0.004401 is 2.3% of average load 0.195501 LDB: TIME 7042.01 LOAD: AVG 0.195501 MAX 0.215021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 7042.01 LOAD: AVG 0.195501 MAX 0.215021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 7042.01 LOAD: AVG 0.195501 MAX 0.215021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 7042.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7042.01 PRESSURE: 2224400 10.4772 204.325 -58.0646 204.324 -67.3569 -252.615 -58.0644 -252.615 252.947 GPRESSURE: 2224400 81.9761 30.8418 -45.0173 215.399 -42.5678 -210.777 37.5663 -250.269 240.567 PRESSAVG: 2224400 -74.5971 -39.3734 -33.2255 -39.3735 68.2418 0.205004 -33.2255 0.20494 -9.95753 GPRESSAVG: 2224400 -75.6273 -42.8188 -33.3511 -38.8891 70.0648 1.4804 -31.8118 1.74228 -10.8695 TIMING: 2224400 CPU: 7029.8, 0.00318213/step Wall: 7029.8, 0.00318213/step, 2.45343 hours remaining, 237.382812 MB of memory in use. ENERGY: 2224400 3974.4026 20526.8020 14461.2432 233.2377 -202983.9649 2380.6293 0.0000 0.0000 52071.7574 -109335.8926 299.2571 -161407.6500 -108970.9795 299.3276 65.3559 93.3252 761177.8815 -5.4376 -5.4774 PRESSURE: 2224600 -94.5839 -51.7044 -113.357 -51.7053 -63.6836 27.9646 -113.356 27.9645 243.357 GPRESSURE: 2224600 -77.167 -95.8148 -139.415 -44.2403 -41.49 78.6605 -185.123 -20.5441 318.103 PRESSAVG: 2224600 -35.2569 10.2642 -68.3658 10.2642 46.7041 23.1891 -68.3657 23.1891 20.507 GPRESSAVG: 2224600 -36.0218 10.9353 -66.8992 10.1698 46.188 23.1247 -69.365 20.5031 22.0386 TIMING: 2224600 CPU: 7030.42, 0.00312607/step Wall: 7030.42, 0.00312607/step, 2.41003 hours remaining, 237.472656 MB of memory in use. ENERGY: 2224600 3892.9149 20403.7403 14542.9932 243.2976 -203125.4820 2648.1376 0.0000 0.0000 52153.7013 -109240.6970 299.7280 -161394.3983 -108875.2744 299.1451 28.3632 66.4820 762150.2654 10.6514 10.7349 PRESSURE: 2224800 71.1448 -38.437 -131.512 -38.4372 16.3398 -23.9515 -131.513 -23.9505 322.519 GPRESSURE: 2224800 103.671 -113.907 -61.9763 -44.2916 99.4842 -57.4461 6.41352 -104.308 296.016 PRESSAVG: 2224800 -79.3081 -63.2431 -39.8191 -63.2431 59.5648 -23.6368 -39.8191 -23.6368 -27.1986 GPRESSAVG: 2224800 -78.5942 -60.3202 -41.3691 -64.5747 59.4139 -24.3019 -39.1825 -23.8186 -28.4814 TIMING: 2224800 CPU: 7031.05, 0.00313043/step Wall: 7031.05, 0.00313043/step, 2.41321 hours remaining, 237.472656 MB of memory in use. ENERGY: 2224800 3938.5283 20500.6755 14484.4426 252.7845 -203374.2642 2742.2809 0.0000 0.0000 52294.0484 -109161.5042 300.5346 -161455.5526 -108800.2221 298.9416 136.6680 166.3903 762986.2814 -15.6473 -15.8873 PRESSURE: 2225000 296.03 -9.27616 86.2358 -9.27663 -3.58602 52.9433 86.2365 52.9434 246.334 GPRESSURE: 2225000 299.025 21.7884 38.1951 75.0167 129.656 14.9632 72.3696 22.6176 197.93 PRESSAVG: 2225000 -74.5784 -23.3466 -38.0199 -23.3466 43.0375 -31.7681 -38.0198 -31.7682 6.1523 GPRESSAVG: 2225000 -74.8546 -23.8828 -36.408 -21.4276 42.5796 -32.8909 -37.3113 -30.2185 7.2514 TIMING: 2225000 CPU: 7031.68, 0.00313124/step Wall: 7031.68, 0.00313124/step, 2.41367 hours remaining, 237.472656 MB of memory in use. ENERGY: 2225000 3948.3906 20442.6952 14496.7872 269.5715 -203186.3917 2943.2314 0.0000 0.0000 52037.7442 -109047.9715 299.0616 -161085.7158 -108687.8921 299.3456 179.5925 208.8703 763055.8185 -8.4629 -8.3412 PRESSURE: 2225200 252.115 -137.723 167.105 -137.724 315.738 27.0388 167.105 27.039 364.937 GPRESSURE: 2225200 330.911 -176.488 148.896 -59.8471 377.637 -3.25679 -13.1802 -63.0572 335.74 PRESSAVG: 2225200 4.45869 -54.4976 -41.6025 -54.4977 13.004 45.7298 -41.6025 45.7298 -0.879246 GPRESSAVG: 2225200 5.45623 -54.1265 -42.9293 -56.1854 12.8006 45.8543 -42.947 45.6627 -1.72893 TIMING: 2225200 CPU: 7032.3, 0.00313615/step Wall: 7032.3, 0.00313615/step, 2.41728 hours remaining, 237.472656 MB of memory in use. ENERGY: 2225200 3870.4224 20527.1964 14546.3859 238.4557 -202965.3761 2765.3663 0.0000 0.0000 52034.0438 -108983.5057 299.0404 -161017.5494 -108619.7150 299.5236 310.9297 348.0958 762349.8236 5.5278 5.5093 PRESSURE: 2225400 29.1454 -70.8462 -140.009 -70.8466 153.859 22.3338 -140.009 22.333 100.017 GPRESSURE: 2225400 30.8898 -106.382 -74.355 -89.6216 229.634 45.2773 -130.26 57.9107 99.6275 PRESSAVG: 2225400 -17.2927 -8.64873 9.0131 -8.64872 -7.53505 18.1315 9.01305 18.1314 0.256543 GPRESSAVG: 2225400 -16.6273 -10.1943 8.94981 -6.75706 -7.8748 18.9618 9.96964 19.0568 0.0900941 TIMING: 2225400 CPU: 7032.93, 0.00313415/step Wall: 7032.93, 0.00313415/step, 2.41556 hours remaining, 237.539062 MB of memory in use. ENERGY: 2225400 3909.2744 20371.5520 14520.4880 236.7460 -202714.5797 2420.6902 0.0000 0.0000 52125.2735 -109130.5556 299.5647 -161255.8291 -108767.5448 299.0638 94.3403 120.0505 763132.4358 -8.1904 -8.1373 PRESSURE: 2225600 -151.528 -210.631 -221.338 -210.631 -79.653 -32.8475 -221.338 -32.8478 251.119 GPRESSURE: 2225600 -109.741 -157.004 -262.622 -214.452 -51.055 -19.7436 -59.897 -42.2367 260.356 PRESSAVG: 2225600 16.5299 -50.0511 25.0787 -50.051 6.34254 21.5256 25.0787 21.5256 -2.56438 GPRESSAVG: 2225600 17.1305 -48.8924 23.8624 -51.5424 4.78316 22.3889 24.6897 20.4155 -1.82289 TIMING: 2225600 CPU: 7033.56, 0.00313405/step Wall: 7033.56, 0.00313405/step, 2.41531 hours remaining, 237.539062 MB of memory in use. ENERGY: 2225600 3881.2273 20446.0268 14486.2035 256.7978 -203180.0670 2682.4663 0.0000 0.0000 52062.2559 -109365.0894 299.2025 -161427.3453 -108998.9469 298.9596 6.6459 33.1864 761338.6259 6.7694 6.6969 PRESSURE: 2225800 -381.012 -69.1651 311.237 -69.1643 53.2216 -123.941 311.237 -123.943 203.236 GPRESSURE: 2225800 -337.612 92.5456 326.148 -201.624 46.1371 -129.661 209.099 -13.2107 250.212 PRESSAVG: 2225800 28.276 -56.8515 35.3856 -56.8515 9.20209 -1.8348 35.3856 -1.83486 9.74932 GPRESSAVG: 2225800 29 -57.811 36.0317 -55.7678 8.9969 -4.36246 35.7302 -0.623622 9.09965 TIMING: 2225800 CPU: 7034.19, 0.0031452/step Wall: 7034.19, 0.0031452/step, 2.42373 hours remaining, 237.539062 MB of memory in use. ENERGY: 2225800 4032.7449 20566.3212 14450.0223 249.3732 -203284.2117 2689.0352 0.0000 0.0000 51995.9908 -109300.7239 298.8217 -161296.7148 -108944.8797 298.7811 -41.5181 -13.7542 762247.9270 15.7425 15.6988 PRESSURE: 2226000 186.338 2.96695 -224.661 2.96703 193.618 -157.167 -224.663 -157.167 648.013 GPRESSURE: 2226000 234.447 -13.5143 -199.486 79.9754 224.835 -133.374 -98.7974 -177.65 635.78 PRESSAVG: 2226000 -30.1247 -15.4623 -24.1885 -15.4623 -9.34826 -55.0579 -24.1884 -55.058 -10.0349 GPRESSAVG: 2226000 -30.9123 -16.0896 -23.2333 -16.0064 -7.69993 -53.3052 -26.0862 -54.3687 -10.2081 TIMING: 2226000 CPU: 7034.81, 0.00314291/step Wall: 7034.81, 0.0031429/step, 2.42178 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: 2226000 3938.8331 20454.3677 14492.1064 251.3476 -203673.6696 3020.6110 0.0000 0.0000 52300.4256 -109215.9783 300.5713 -161516.4038 -108844.5857 298.9129 342.6564 365.0205 764675.2255 -16.5026 -16.2734 PRESSURE: 2226200 -79.1549 85.9613 -161.458 85.9609 -32.2404 -32.3097 -161.459 -32.3099 71.6827 GPRESSURE: 2226200 -72.3972 126.293 -237.034 39.1584 28.8504 -84.2477 -123.89 -108.741 93.8966 PRESSAVG: 2226200 -18.6387 -40.1259 -37.9689 -40.1259 18.9837 -10.5911 -37.9689 -10.5911 -14.671 GPRESSAVG: 2226200 -18.3135 -40.8004 -38.7309 -41.32 18.2716 -10.7926 -37.2591 -12.0988 -14.1163 TIMING: 2226200 CPU: 7035.44, 0.00313755/step Wall: 7035.44, 0.00313755/step, 2.41748 hours remaining, 237.539062 MB of memory in use. ENERGY: 2226200 3930.2280 20535.4557 14592.3131 256.2671 -203153.9332 2712.9494 0.0000 0.0000 51987.1642 -109139.5558 298.7709 -161126.7200 -108786.5017 299.5002 -13.2375 16.7832 763418.8949 -4.7753 -4.7194 PRESSURE: 2226400 -295.275 52.9894 -19.1507 52.9885 18.6155 21.8105 -19.1511 21.8098 117.312 GPRESSURE: 2226400 -177.822 155.713 -47.4018 101.555 -8.74951 29.4154 -54.871 168.755 110.816 PRESSAVG: 2226400 5.6502 -1.88116 -26.429 -1.88122 9.34912 36.5569 -26.429 36.5568 -7.59542 GPRESSAVG: 2226400 5.56622 -1.12987 -26.015 -1.60705 9.1122 35.8206 -27.1579 35.4551 -7.96416 TIMING: 2226400 CPU: 7036.07, 0.00312261/step Wall: 7036.07, 0.00312261/step, 2.4058 hours remaining, 237.539062 MB of memory in use. ENERGY: 2226400 4138.3267 20399.7840 14533.4819 254.8458 -203015.2718 2720.4463 0.0000 0.0000 51951.0212 -109017.3658 298.5632 -160968.3870 -108661.9407 299.7293 -53.1156 -25.2518 763992.0590 2.4680 2.2381 PRESSURE: 2226600 -183.21 -156.937 171.669 -156.937 -205.931 0.769188 171.67 0.767857 19.5355 GPRESSURE: 2226600 -166.637 -52.1486 125.712 -113.653 -114.462 -5.63458 149.125 1.27424 0.354421 PRESSAVG: 2226600 -49.0921 -31.7678 22.567 -31.7678 46.1773 19.7805 22.5671 19.7805 -0.0945277 GPRESSAVG: 2226600 -48.8489 -32.1538 23.2515 -30.3989 45.755 21.6451 21.5357 21.2843 -0.337057 TIMING: 2226600 CPU: 7036.69, 0.00313283/step Wall: 7036.69, 0.00313283/step, 2.4135 hours remaining, 237.539062 MB of memory in use. ENERGY: 2226600 3897.1931 20559.7554 14521.6196 237.3942 -203088.6215 2739.1567 0.0000 0.0000 51957.3683 -109176.1341 298.5997 -161133.5024 -108812.9097 299.3166 -123.2019 -93.5815 763184.1062 -1.0031 -1.1437 PRESSURE: 2226800 50.7633 -93.2822 -101.797 -93.2818 -147.635 4.6211 -101.797 4.62048 215.355 GPRESSURE: 2226800 99.2697 -94.3095 17.8075 -52.9259 -95.7787 -25.0708 -80.3147 93.747 189.792 PRESSAVG: 2226800 2.36601 -2.63836 19.6019 -2.63834 13.1391 -3.10703 19.602 -3.10696 -11.5392 GPRESSAVG: 2226800 2.36432 -3.96123 19.2344 -2.5687 12.43 -2.07565 20.9821 -3.76704 -11.1647 TIMING: 2226800 CPU: 7037.32, 0.00313652/step Wall: 7037.32, 0.00313652/step, 2.41617 hours remaining, 237.539062 MB of memory in use. ENERGY: 2226800 3931.2384 20588.3768 14482.7946 232.3522 -203038.7906 2716.6862 0.0000 0.0000 52064.3658 -109022.9766 299.2146 -161087.3423 -108666.2989 298.9767 39.4945 64.4278 764245.2661 1.3220 1.2099 PRESSURE: 2227000 103.718 -58.6052 9.01411 -58.605 -56.4522 -236.128 9.01386 -236.128 503.423 GPRESSURE: 2227000 186.456 -101.129 -5.10049 -84.2782 -9.14568 -146.612 8.25645 -317.623 465.65 PRESSAVG: 2227000 -77.6908 -44.6249 26.5509 -44.6249 60.5701 -54.3723 26.5509 -54.3724 -14.3492 GPRESSAVG: 2227000 -77.3449 -46.0724 26.7878 -46.0414 60.7575 -54.9204 25.3535 -54.3801 -15.0652 TIMING: 2227000 CPU: 7037.95, 0.00314865/step Wall: 7037.95, 0.00314865/step, 2.42534 hours remaining, 237.539062 MB of memory in use. ENERGY: 2227000 3948.5949 20542.1587 14483.3029 241.4238 -203305.5191 2982.1178 0.0000 0.0000 52088.9861 -109018.9348 299.3561 -161107.9210 -108666.9528 299.4023 183.5629 214.3201 763752.6038 -10.4900 -10.5509 PRESSURE: 2227200 -208.109 -202.739 -104.039 -202.74 -295.601 -180.003 -104.039 -180.004 -351.362 GPRESSURE: 2227200 -183.712 -198.854 -100.472 -74.543 -276.794 -80.4549 -23.521 -96.1524 -298.551 PRESSAVG: 2227200 -45.8779 -16.3355 -23.6284 -16.3355 60.5764 -47.2684 -23.6284 -47.2685 -1.64811 GPRESSAVG: 2227200 -47.2279 -14.199 -23.9382 -15.9392 61.615 -47.8253 -21.8019 -45.6737 -0.998726 TIMING: 2227200 CPU: 7038.58, 0.00313853/step Wall: 7038.58, 0.00313853/step, 2.41736 hours remaining, 237.539062 MB of memory in use. ENERGY: 2227200 4057.3134 20489.5126 14500.2388 237.0945 -203148.5011 2537.4191 0.0000 0.0000 52167.8400 -109159.0827 299.8093 -161326.9227 -108786.6542 299.9341 -285.0244 -253.0187 763691.9084 4.3501 4.4628 PRESSURE: 2227400 329.69 -147.121 -127.442 -147.12 100.416 -193.523 -127.443 -193.523 414.57 GPRESSURE: 2227400 265.51 -106.751 -180.346 -64.4354 179.601 -115.658 -49.7352 -97.7337 483.237 PRESSAVG: 2227400 7.62605 -12.9562 15.6423 -12.9562 -32.17 -12.4705 15.6423 -12.4704 9.4281 GPRESSAVG: 2227400 6.54356 -12.543 14.6354 -12.3079 -31.7529 -11.7015 15.8069 -12.6512 10.3779 TIMING: 2227400 CPU: 7039.21, 0.00315364/step Wall: 7039.21, 0.00315363/step, 2.42882 hours remaining, 237.539062 MB of memory in use. ENERGY: 2227400 4009.9096 20443.4252 14551.5351 242.0170 -203262.9707 2648.6102 0.0000 0.0000 52242.0325 -109125.4411 300.2357 -161367.4736 -108762.3049 299.4134 281.5586 309.4494 761568.7985 -5.0386 -4.9438 PRESSURE: 2227600 -129.884 15.7546 -104.121 15.7546 -75.7438 16.0664 -104.121 16.0658 524.566 GPRESSURE: 2227600 -131.906 -3.01033 -136.307 -34.701 19.5843 72.0457 -97.191 -14.6059 508.042 PRESSAVG: 2227600 31.1331 16.0383 -28.4463 16.0383 37.984 -12.0316 -28.4463 -12.0316 6.80625 GPRESSAVG: 2227600 32.4332 15.8799 -27.8635 13.7952 37.6195 -13.7135 -28.8086 -11.053 6.25208 TIMING: 2227600 CPU: 7039.84, 0.00315673/step Wall: 7039.84, 0.00315673/step, 2.43104 hours remaining, 237.539062 MB of memory in use. ENERGY: 2227600 3997.9288 20562.3318 14447.5379 238.1985 -202872.6111 2380.9840 0.0000 0.0000 52000.7335 -109244.8966 298.8489 -161245.6301 -108879.9882 299.7816 106.3128 131.9070 761399.8665 25.3078 25.4349 PRESSURE: 2227800 -373.026 254.359 82.2785 254.358 -115.599 217.429 82.2789 217.429 -213.78 GPRESSURE: 2227800 -346.028 211.056 26.1112 333.823 -121.437 203.795 30.4652 206.673 -169.551 PRESSAVG: 2227800 -19.4291 52.199 -40.707 52.199 42.8072 -28.2168 -40.7069 -28.2167 -13.6346 GPRESSAVG: 2227800 -19.6033 50.9686 -40.4768 55.0538 43.4686 -28.6771 -41.4541 -30.4538 -13.9286 TIMING: 2227800 CPU: 7040.47, 0.00314162/step Wall: 7040.47, 0.00314162/step, 2.41922 hours remaining, 237.539062 MB of memory in use. ENERGY: 2227800 3928.5003 20445.2368 14524.9885 261.1851 -202694.5935 2180.2210 0.0000 0.0000 52200.9929 -109153.4691 299.9998 -161354.4619 -108788.5575 299.7571 -234.1350 -212.3384 763405.4341 3.2478 3.3123 PRESSURE: 2228000 295.837 3.92809 -180.697 3.92763 191.744 -79.5335 -180.698 -79.5333 262.74 GPRESSURE: 2228000 321.596 -35.1389 -76.4222 79.0906 250.293 -45.6588 -184.987 -175.798 278.542 PRESSAVG: 2228000 -7.00723 -4.64409 33.6391 -4.64409 17.5431 -48.8091 33.6391 -48.809 -10.3676 GPRESSAVG: 2228000 -7.00719 -4.09263 34.3372 -4.99578 16.8995 -48.6225 32.691 -48.4002 -10.1169 TIMING: 2228000 CPU: 7041.1, 0.00314237/step Wall: 7041.1, 0.00314236/step, 2.41962 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: 2228000 4042.5511 20470.7135 14498.1818 244.6975 -203070.7076 2508.0698 0.0000 0.0000 52369.9082 -108936.5857 300.9706 -161306.4938 -108577.1026 299.8069 250.1070 283.4772 760700.4339 0.0561 -0.0749 PRESSURE: 2228200 176.232 76.1615 -81.6149 76.162 -143.019 -12.7644 -81.6151 -12.7643 202.982 GPRESSURE: 2228200 217.474 67.9426 -96.2059 22.8343 -17.7375 -13.964 82.423 31.6044 127.012 PRESSAVG: 2228200 -2.15425 -22.3717 8.18729 -22.3717 -9.84261 -49.3526 8.1873 -49.3526 -7.55642 GPRESSAVG: 2228200 -2.20349 -21.1636 7.75702 -21.1597 -9.48993 -49.5592 9.68312 -49.3682 -8.11837 TIMING: 2228200 CPU: 7041.72, 0.00313286/step Wall: 7041.72, 0.00313286/step, 2.41213 hours remaining, 237.539062 MB of memory in use. ENERGY: 2228200 3994.2412 20518.3515 14470.3760 248.0960 -203002.0812 2609.7131 0.0000 0.0000 51911.1190 -109250.1843 298.3339 -161161.3034 -108879.6332 299.7538 78.7314 108.9161 761673.1952 -6.5178 -6.6039 LDB: ============= START OF LOAD BALANCING ============== 7054.25 LDB: ============== END OF LOAD BALANCING =============== 7054.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7054.26 LDB: ============= START OF LOAD BALANCING ============== 7054.57 LDB: Largest compute 7031 load 0.031891 is 16.3% of average load 0.195466 LDB: Average compute 0.004423 is 2.3% of average load 0.195466 LDB: TIME 7054.57 LOAD: AVG 0.195466 MAX 0.220673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.105 MB LDB: TIME 7054.57 LOAD: AVG 0.195466 MAX 0.220673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.109 MB LDB: TIME 7054.58 LOAD: AVG 0.195466 MAX 0.217991 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.109 MB LDB: ============== END OF LOAD BALANCING =============== 7054.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7054.58 PRESSURE: 2228400 -244.812 -330.338 -191.968 -330.338 86.8858 83.9207 -191.968 83.9213 81.7375 GPRESSURE: 2228400 -240.456 -291.018 -191.019 -255.015 124.941 -18.5045 -151.002 84.6814 129.194 PRESSAVG: 2228400 -6.02735 -8.65426 -2.09182 -8.65423 8.19056 -18.0253 -2.09172 -18.0254 10.0413 GPRESSAVG: 2228400 -6.60783 -9.75684 -1.69867 -8.81643 7.97515 -17.6155 -3.22174 -17.5086 11.0661 TIMING: 2228400 CPU: 7042.37, 0.00321325/step Wall: 7042.37, 0.00321325/step, 2.47385 hours remaining, 236.421875 MB of memory in use. ENERGY: 2228400 3995.2123 20636.6829 14483.8823 257.8382 -203390.8903 2774.0593 0.0000 0.0000 51792.8046 -109450.4107 297.6540 -161243.2153 -109101.6805 299.4307 -25.3964 4.5597 761858.5045 4.0682 4.1445 PRESSURE: 2228600 -38.6165 -79.8694 274.749 -79.8699 -3.09075 -50.2147 274.749 -50.214 -291.532 GPRESSURE: 2228600 16.5164 -144.776 252.644 -44.4423 -38.0215 -149.337 151.763 31.096 -239.963 PRESSAVG: 2228600 -17.8125 -48.0478 -8.61806 -48.0478 38.6816 29.7264 -8.61803 29.7264 -9.85557 GPRESSAVG: 2228600 -16.9149 -47.6275 -10.0795 -51.3657 37.6791 30.1515 -6.76735 28.9034 -9.81361 TIMING: 2228600 CPU: 7042.99, 0.00314671/step Wall: 7042.99, 0.00314671/step, 2.42245 hours remaining, 236.761719 MB of memory in use. ENERGY: 2228600 4006.7004 20613.4657 14560.3919 247.0528 -203190.6542 2554.5445 0.0000 0.0000 52100.9913 -109107.5078 299.4251 -161208.4990 -108753.7996 299.3943 -111.0797 -87.1561 763495.2908 3.6712 3.6502 PRESSURE: 2228800 60.0515 163.955 35.3697 163.956 129.091 -272.355 35.37 -272.354 100.761 GPRESSURE: 2228800 154.568 172.642 -19.0723 194.586 187.215 -122.139 -14.9041 -162.49 46.9125 PRESSAVG: 2228800 -8.81836 10.2809 -29.3418 10.2809 -21.5661 -46.2131 -29.3418 -46.2132 -5.54541 GPRESSAVG: 2228800 -9.30333 12.4965 -28.1387 11.8043 -21.5283 -46.9089 -29.2316 -45.6865 -5.64651 TIMING: 2228800 CPU: 7043.62, 0.00311588/step Wall: 7043.62, 0.00311588/step, 2.39853 hours remaining, 236.761719 MB of memory in use. ENERGY: 2228800 4003.5456 20611.4777 14536.4867 221.1514 -203350.0348 2825.7814 0.0000 0.0000 51931.2549 -109220.3370 298.4496 -161151.5919 -108860.8437 299.8752 96.6343 129.5648 762283.5073 -11.9766 -12.1594 PRESSURE: 2229000 151.56 -115.761 -59.5715 -115.76 102.858 164.961 -59.5719 164.959 -281.913 GPRESSURE: 2229000 154.134 -18.7202 -103.313 -155.239 142.416 66.7661 -65.1907 75.8356 -215.296 PRESSAVG: 2229000 54.5009 -32.0943 -64.4358 -32.0942 -5.57994 9.9398 -64.4358 9.9398 -8.16233 GPRESSAVG: 2229000 54.618 -33.9022 -65.4569 -31.1509 -6.27247 9.39929 -63.6104 10.3286 -7.41188 TIMING: 2229000 CPU: 7044.24, 0.00312527/step Wall: 7044.24, 0.00312527/step, 2.40559 hours remaining, 236.761719 MB of memory in use. ENERGY: 2229000 4002.0454 20499.4550 14485.0661 244.3956 -203334.9491 2766.2532 0.0000 0.0000 52063.9704 -109273.7634 299.2124 -161337.7338 -108915.8546 299.4712 -9.1651 27.0845 761050.8421 13.5862 13.6446 PRESSURE: 2229200 41.1127 -210.323 21.208 -210.323 30.4619 70.2882 21.2071 70.2892 55.6731 GPRESSURE: 2229200 87.1718 -194.759 -41.1583 -280.538 108.939 -38.7366 -8.57943 105.514 11.0914 PRESSAVG: 2229200 -25.5881 -41.471 -17.4871 -41.4711 15.2942 -0.46794 -17.4871 -0.467862 6.14094 GPRESSAVG: 2229200 -23.998 -39.8108 -18.7487 -43.3294 15.8637 -1.27136 -19.6071 0.909488 3.99213 TIMING: 2229200 CPU: 7044.87, 0.00312513/step Wall: 7044.87, 0.00312513/step, 2.40531 hours remaining, 236.761719 MB of memory in use. ENERGY: 2229200 4060.3161 20397.7990 14544.9598 249.3889 -203190.9834 2649.2733 0.0000 0.0000 52010.2031 -109279.0433 298.9034 -161289.2464 -108917.2831 299.7457 42.4159 69.0674 763240.3689 -1.3843 -1.3807 PRESSURE: 2229400 20.5553 30.5345 -172.99 30.5347 238.952 93.5742 -172.991 93.5746 337.997 GPRESSURE: 2229400 61.1027 125.103 -114.488 -25.5846 235.967 62.3806 -72.073 39.3653 362.436 PRESSAVG: 2229400 0.2688 52.2796 27.2135 52.2796 42.1204 -15.1172 27.2135 -15.1173 -27.5463 GPRESSAVG: 2229400 -1.39333 50.6331 28.104 53.2095 42.2339 -13.1974 29.1318 -16.1485 -26.1626 TIMING: 2229400 CPU: 7045.5, 0.00314081/step Wall: 7045.5, 0.00314081/step, 2.4172 hours remaining, 236.761719 MB of memory in use. ENERGY: 2229400 3988.3540 20438.7448 14466.0969 250.0324 -203515.3174 2724.9738 0.0000 0.0000 52256.5565 -109390.5590 300.3191 -161647.1155 -109028.7164 299.4509 199.1681 219.8352 761225.4396 4.9476 4.8926 PRESSURE: 2229600 133.154 -254.125 132.325 -254.125 -116.203 184.125 132.324 184.125 194.298 GPRESSURE: 2229600 77.4871 -258.6 156.472 -244.086 -5.74301 120.131 151.47 297.876 222.424 PRESSAVG: 2229600 -63.5539 -9.60717 16.1003 -9.60715 35.0548 16.9678 16.1004 16.9678 31.3083 GPRESSAVG: 2229600 -64.4849 -10.2002 16.792 -10.9173 35.1769 16.6499 14.305 17.39 32.0829 TIMING: 2229600 CPU: 7046.12, 0.00313706/step Wall: 7046.12, 0.00313706/step, 2.41414 hours remaining, 236.761719 MB of memory in use. ENERGY: 2229600 3986.5013 20465.0082 14512.6633 249.1745 -203340.5047 2667.2928 0.0000 0.0000 52148.3159 -109311.5487 299.6971 -161459.8646 -108943.3774 299.2584 70.4161 98.0561 761958.2961 0.9364 0.9250 PRESSURE: 2229800 -150.578 -103.837 74.5536 -103.837 -116.51 -86.296 74.5533 -86.2963 -85.0095 GPRESSURE: 2229800 -193.84 -148.24 46.8238 -110.336 -98.7398 -76.0825 -0.462976 -140.328 29.2912 PRESSAVG: 2229800 23.2758 -48.1591 23.7772 -48.1591 -31.2262 -29.1931 23.7772 -29.1931 19.2672 GPRESSAVG: 2229800 23.6016 -47.8925 23.438 -46.7746 -31.4268 -30.4562 24.8442 -27.9336 19.4169 TIMING: 2229800 CPU: 7046.75, 0.0031357/step Wall: 7046.75, 0.0031357/step, 2.41292 hours remaining, 236.761719 MB of memory in use. ENERGY: 2229800 3997.5423 20606.4902 14392.4241 240.8767 -203149.4403 2554.2369 0.0000 0.0000 52214.0764 -109143.7938 300.0750 -161357.8702 -108785.2306 299.8828 -117.3658 -87.7628 761585.8796 3.7723 3.8639 PRESSURE: 2230000 -0.00454352 60.8905 -101.768 60.8905 19.5585 31.6441 -101.768 31.6438 -274.26 GPRESSURE: 2230000 110.591 -3.24996 -61.0855 -34.0115 6.67483 96.397 -82.5513 -87.9106 -274.147 PRESSAVG: 2230000 -22.4464 11.3973 24.0966 11.3974 17.3948 18.4801 24.0966 18.48 11.0042 GPRESSAVG: 2230000 -22.1285 12.0366 24.8671 12.0225 16.3661 19.0974 23.7422 15.428 11.4366 TIMING: 2230000 CPU: 7047.37, 0.0031137/step Wall: 7047.37, 0.0031137/step, 2.39582 hours remaining, 236.761719 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: 2230000 3997.7112 20360.7030 14463.5592 239.3897 -203348.9242 2732.5494 0.0000 0.0000 52257.8769 -109297.1348 300.3267 -161555.0117 -108924.5805 299.7347 -84.9021 -52.2936 762005.6562 1.9842 1.8914 PRESSURE: 2230200 -194.761 102.185 64.0232 102.185 -215.14 -34.7351 64.0228 -34.7348 -176.921 GPRESSURE: 2230200 -102.772 39.443 13.7276 54.7252 -167.894 -79.2962 67.8096 61.7132 -239.408 PRESSAVG: 2230200 -10.7369 2.58705 44.0505 2.58704 20.6334 10.5802 44.0505 10.5803 -2.97263 GPRESSAVG: 2230200 -10.4308 3.31814 44.3561 0.344382 21.7203 10.1264 43.6995 10.0886 -4.18395 TIMING: 2230200 CPU: 7048, 0.00313917/step Wall: 7048, 0.00313917/step, 2.41524 hours remaining, 236.761719 MB of memory in use. ENERGY: 2230200 4032.0546 20570.3410 14454.6447 258.4644 -203280.7688 2568.1639 0.0000 0.0000 52039.7198 -109357.3804 299.0730 -161397.1002 -108993.9385 299.2144 -195.6076 -170.0244 764892.0206 2.3079 2.3685 PRESSURE: 2230400 21.1805 97.9178 -122.111 97.9167 215.323 52.2809 -122.111 52.2804 516.475 GPRESSURE: 2230400 17.7367 68.8403 -173.521 -7.42478 212.814 39.4159 -153.261 92.0927 574.706 PRESSAVG: 2230400 -27.3002 13.9273 -11.5979 13.9273 20.4645 -39.5335 -11.5979 -39.5336 -0.0740894 GPRESSAVG: 2230400 -26.4001 13.6604 -13.746 15.2008 19.4826 -38.0297 -11.9721 -39.0339 -0.390593 TIMING: 2230400 CPU: 7048.63, 0.00315052/step Wall: 7048.63, 0.00315052/step, 2.4238 hours remaining, 236.761719 MB of memory in use. ENERGY: 2230400 4045.3961 20537.1231 14487.3736 242.3104 -203317.8832 2823.3127 0.0000 0.0000 51719.8401 -109462.5272 297.2346 -161182.3673 -109103.4538 298.9851 250.9930 268.4190 763988.9569 -2.3033 -2.4360 PRESSURE: 2230600 -94.2701 72.9016 276.865 72.9013 17.3856 -38.1516 276.864 -38.151 53.3676 GPRESSURE: 2230600 -79.4122 93.12 277.131 -33.3764 146.943 -0.53663 385.162 -24.7581 15.416 PRESSAVG: 2230600 -48.9411 19.4509 4.52609 19.4509 20.909 -36.7808 4.52604 -36.7808 -9.91043 GPRESSAVG: 2230600 -48.6676 17.9143 6.89182 20.7251 21.667 -37.9332 3.83501 -36.2453 -10.2543 TIMING: 2230600 CPU: 7049.26, 0.00314666/step Wall: 7049.26, 0.00314666/step, 2.42065 hours remaining, 236.761719 MB of memory in use. ENERGY: 2230600 3995.6170 20373.8759 14516.6949 218.4695 -203633.1565 2976.0801 0.0000 0.0000 51916.8596 -109635.5594 298.3669 -161552.4190 -109261.4910 299.0824 -7.8390 27.6488 761918.4104 -12.6475 -12.4183 PRESSURE: 2230800 42.9081 80.0801 123.056 80.0797 -20.2983 -25.1247 123.056 -25.1246 -25.392 GPRESSURE: 2230800 57.9786 61.8874 -21.2802 133.567 85.7919 5.70656 160.557 8.44934 -66.0981 PRESSAVG: 2230800 -58.1756 -11.2626 20.6761 -11.2626 43.2883 7.49429 20.6761 7.49425 3.6793 GPRESSAVG: 2230800 -58.9698 -9.62845 18.953 -11.1871 44.3835 8.30748 21.2198 7.91813 4.06629 TIMING: 2230800 CPU: 7049.88, 0.00312061/step Wall: 7049.88, 0.00312061/step, 2.40045 hours remaining, 236.761719 MB of memory in use. ENERGY: 2230800 4005.9033 20470.8616 14503.1534 235.7010 -203446.5199 2494.1860 0.0000 0.0000 52029.1686 -109707.5460 299.0123 -161736.7146 -109351.2048 298.4003 -0.9274 25.8908 762573.3313 -3.7360 -3.5067 PRESSURE: 2231000 -175.02 -131.643 -125.932 -131.644 33.0272 -200.796 -125.932 -200.795 94.1029 GPRESSURE: 2231000 -66.6113 58.6134 -161.231 -126.397 9.79448 -163.159 -171.823 -206.114 78.6488 PRESSAVG: 2231000 -39.9522 15.5121 22.0581 15.512 -25.4934 0.266124 22.0581 0.266202 4.79798 GPRESSAVG: 2231000 -39.0295 15.2444 22.263 15.2782 -27.226 -0.968972 21.9203 1.20745 5.45384 TIMING: 2231000 CPU: 7050.51, 0.00312587/step Wall: 7050.51, 0.00312587/step, 2.40432 hours remaining, 236.761719 MB of memory in use. ENERGY: 2231000 3925.6817 20497.4690 14554.2607 243.4712 -203059.9088 2246.3055 0.0000 0.0000 52025.1081 -109567.6126 298.9890 -161592.7207 -109216.2548 298.5644 -15.9634 7.2773 762112.5136 -20.2159 -20.2672 PRESSURE: 2231200 -84.1719 -59.4665 82.4192 -59.4666 -215.073 86.8762 82.4199 86.8772 -128.735 GPRESSURE: 2231200 -123.013 -18.3096 175.7 -29.3813 -126.767 164.618 9.37719 -96.6777 -98.7931 PRESSAVG: 2231200 -19.9457 -14.8961 -47.8153 -14.8961 4.54394 57.058 -47.8153 57.0581 15.3727 GPRESSAVG: 2231200 -20.9893 -13.5778 -46.6509 -15.3651 4.92513 58.5259 -48.7025 56.708 15.7286 TIMING: 2231200 CPU: 7051.14, 0.00313644/step Wall: 7051.14, 0.00313644/step, 2.41227 hours remaining, 236.761719 MB of memory in use. ENERGY: 2231200 4004.6863 20533.0923 14488.6456 263.8124 -203320.6885 2581.4999 0.0000 0.0000 52014.6540 -109434.2979 298.9289 -161448.9518 -109083.2887 299.0692 -142.6600 -116.1911 762077.7833 -0.0097 -0.1119 PRESSURE: 2231400 -56.7336 21.1644 -80.3778 21.1649 71.0486 -37.2355 -80.3784 -37.2343 -107.001 GPRESSURE: 2231400 28.2832 34.2505 -55.4437 -30.8947 86.2724 -75.9687 -62.2188 -85.5845 -115.099 PRESSAVG: 2231400 -5.4332 20.7668 -21.6564 20.7667 -6.93635 16.1347 -21.6564 16.1346 -6.63002 GPRESSAVG: 2231400 -3.50467 22.0271 -23.9682 17.647 -7.8931 15.4725 -20.104 14.9693 -7.80885 TIMING: 2231400 CPU: 7051.76, 0.00312364/step Wall: 7051.76, 0.00312364/step, 2.40226 hours remaining, 236.761719 MB of memory in use. ENERGY: 2231400 3919.0526 20358.3369 14536.8774 246.1046 -203432.1679 2826.6153 0.0000 0.0000 52190.0516 -109355.1294 299.9369 -161545.1810 -108992.4094 299.5008 -30.8953 -0.1812 762041.1988 -6.3332 -6.4022 PRESSURE: 2231600 42.9632 158.256 -107.644 158.256 -138.307 -120.888 -107.644 -120.887 -35.3735 GPRESSURE: 2231600 50.0937 108.138 -47.6654 243.281 -74.8373 -109.261 -111.905 -139.047 -21.7947 PRESSAVG: 2231600 -30.0996 -26.8752 -44.0974 -26.8752 76.0399 -11.7467 -44.0974 -11.7468 -36.098 GPRESSAVG: 2231600 -32.0079 -29.2693 -42.6349 -23.2814 76.2775 -11.6339 -45.4073 -12.9552 -34.7543 TIMING: 2231600 CPU: 7052.39, 0.00312966/step Wall: 7052.39, 0.00312966/step, 2.40671 hours remaining, 236.761719 MB of memory in use. ENERGY: 2231600 3945.7131 20575.7736 14452.1072 256.4498 -203268.4486 2756.4052 0.0000 0.0000 52068.6024 -109213.3974 299.2390 -161281.9998 -108849.8624 299.5873 -43.5723 -15.5128 762004.0915 3.2808 3.1718 PRESSURE: 2231800 -229.628 96.1927 -186.195 96.1924 -249.656 127.293 -186.196 127.294 -342.103 GPRESSURE: 2231800 -206.458 163.341 -79.4756 191.683 -215.019 66.952 -88.411 235.584 -302.88 PRESSAVG: 2231800 -37.9816 47.1924 -20.5201 47.1924 61.3392 -56.8692 -20.52 -56.8692 3.5734 GPRESSAVG: 2231800 -38.0084 48.7538 -21.2163 46.3656 60.75 -56.9562 -18.2142 -55.9877 3.67388 TIMING: 2231800 CPU: 7053.02, 0.00314815/step Wall: 7053.02, 0.00314815/step, 2.42075 hours remaining, 236.761719 MB of memory in use. ENERGY: 2231800 3984.2638 20624.5868 14516.3986 254.7623 -202796.4659 2289.7720 0.0000 0.0000 51974.2461 -109152.4364 298.6967 -161126.6825 -108789.6456 299.5210 -273.7957 -241.4521 763380.8427 8.9770 8.8052 PRESSURE: 2232000 -67.1787 117.189 -181.891 117.189 -76.5788 -409.966 -181.891 -409.966 20.7615 GPRESSURE: 2232000 -41.7523 91.9409 -155.277 106.087 -25.5413 -488.057 -123.831 -335.421 26.9534 PRESSAVG: 2232000 -18.0638 75.5421 -34.3415 75.5421 52.403 -4.24321 -34.3416 -4.24324 3.61967 GPRESSAVG: 2232000 -17.4392 75.4728 -35.9479 76.2497 52.1686 -6.30308 -33.4029 -2.42718 2.85855 TIMING: 2232000 CPU: 7053.64, 0.00313376/step Wall: 7053.64, 0.00313376/step, 2.40951 hours remaining, 236.761719 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: 2232000 3999.6116 20577.6287 14449.1156 244.0432 -203042.5283 2625.6286 0.0000 0.0000 52137.4651 -109009.0354 299.6347 -161146.5005 -108648.1459 300.4943 -40.9987 -13.4467 761666.1732 12.6530 12.5293 PRESSURE: 2232200 -60.8877 11.9587 -124.373 11.959 -336.59 155.292 -124.372 155.293 67.0438 GPRESSURE: 2232200 81.491 98.8911 -249.322 -3.29611 -330.968 112.531 -32.6319 45.5551 3.15098 PRESSAVG: 2232200 -10.4383 57.9698 16.907 57.9698 5.74183 -22.3073 16.907 -22.3073 -3.68939 GPRESSAVG: 2232200 -9.44554 56.1368 18.5167 57.2806 7.03498 -20.085 14.2316 -24.9959 -5.46914 TIMING: 2232200 CPU: 7054.27, 0.00312615/step Wall: 7054.27, 0.00312615/step, 2.40349 hours remaining, 236.761719 MB of memory in use. ENERGY: 2232200 4051.3119 20605.1684 14401.6233 259.9655 -203109.6776 2584.7721 0.0000 0.0000 52303.9910 -108902.8454 300.5918 -161206.8364 -108540.7910 300.1498 -110.1448 -82.1088 762152.7990 -2.7953 -2.6266 LDB: ============= START OF LOAD BALANCING ============== 7066.8 LDB: ============== END OF LOAD BALANCING =============== 7066.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7066.8 LDB: ============= START OF LOAD BALANCING ============== 7067.11 LDB: Largest compute 7056 load 0.032638 is 16.7% of average load 0.195444 LDB: Average compute 0.004405 is 2.3% of average load 0.195444 LDB: TIME 7067.12 LOAD: AVG 0.195444 MAX 0.214358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 7067.12 LOAD: AVG 0.195444 MAX 0.214358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 7067.12 LOAD: AVG 0.195444 MAX 0.214358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 7067.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7067.12 PRESSURE: 2232400 -72.3827 85.6243 171.425 85.6242 -73.7886 -187.219 171.425 -187.219 -142.687 GPRESSURE: 2232400 -37.8988 27.9521 208.843 50.9233 -8.083 -173.837 89.2224 -84.2219 -148.054 PRESSAVG: 2232400 56.4462 -19.2089 -41.2137 -19.2089 -68.4785 -11.6251 -41.2136 -11.6251 -29.3125 GPRESSAVG: 2232400 56.4907 -18.907 -40.3314 -18.3286 -68.5068 -14.1769 -43.0358 -11.3799 -29.4582 TIMING: 2232400 CPU: 7054.91, 0.00318753/step Wall: 7054.91, 0.00318753/step, 2.4505 hours remaining, 234.679688 MB of memory in use. ENERGY: 2232400 3946.7006 20513.2016 14480.0025 247.9023 -202767.9631 2293.3376 0.0000 0.0000 52173.6002 -109113.2183 299.8424 -161286.8184 -108743.9568 300.4651 -96.2860 -64.6785 761895.3688 -13.7816 -13.8248 PRESSURE: 2232600 -521.082 73.5015 -320.429 73.5026 -288.94 -39.9295 -320.43 -39.9286 -430.037 GPRESSURE: 2232600 -376.345 70.6169 -330.078 126.1 -330.583 -61.3051 -252.81 -76.414 -445.498 PRESSAVG: 2232600 9.49528 11.7636 -1.62469 11.7637 19.7838 -24.3832 -1.62477 -24.3832 -18.5819 GPRESSAVG: 2232600 10.0645 11.1988 -1.6157 10.2172 19.715 -23.9673 -0.239065 -25.3839 -18.8485 TIMING: 2232600 CPU: 7055.54, 0.00314309/step Wall: 7055.54, 0.00314309/step, 2.41617 hours remaining, 234.679688 MB of memory in use. ENERGY: 2232600 4009.0181 20421.7574 14495.1434 256.0272 -202487.7878 2154.8252 0.0000 0.0000 52297.2266 -108853.7898 300.5529 -161151.0165 -108483.0121 299.9995 -413.3528 -384.1420 761972.2934 3.5657 3.6436 PRESSURE: 2232800 -378.706 11.3164 0.440341 11.3164 -96.1257 131.071 0.439701 131.071 182.484 GPRESSURE: 2232800 -350.418 96.4596 -40.5468 -45.0819 52.5844 152.633 104.76 41.9314 110.452 PRESSAVG: 2232800 -59.4823 -10.9544 0.748756 -10.9545 31.2266 5.2873 0.748736 5.28735 0.260548 GPRESSAVG: 2232800 -59.9095 -10.7625 -0.255531 -11.4486 30.8175 6.36766 3.4672 7.13456 1.62786 TIMING: 2232800 CPU: 7056.16, 0.00312558/step Wall: 7056.16, 0.00312558/step, 2.40253 hours remaining, 234.667969 MB of memory in use. ENERGY: 2232800 4061.7363 20554.5178 14481.5440 261.5181 -203225.6016 2742.8181 0.0000 0.0000 51913.5274 -109209.9398 298.3478 -161123.4673 -108856.8155 299.5432 -97.4493 -62.4606 761136.0026 -9.3317 -9.1547 PRESSURE: 2233000 -132.475 5.12669 -120.244 5.12558 -122.696 9.92866 -120.244 9.92873 190.208 GPRESSURE: 2233000 -108.589 18.4997 -55.212 74.0913 -97.3802 30.0008 -107.564 70.5415 213.562 PRESSAVG: 2233000 -42.5007 18.0381 -13.7887 18.0381 71.4064 4.18271 -13.7887 4.18269 -1.73737 GPRESSAVG: 2233000 -42.5025 19.099 -13.3279 18.2347 71.8825 3.71787 -16.5759 2.88372 -2.05947 TIMING: 2233000 CPU: 7056.79, 0.00312437/step Wall: 7056.79, 0.00312437/step, 2.40142 hours remaining, 234.679688 MB of memory in use. ENERGY: 2233000 3950.1045 20465.2861 14505.5836 261.6925 -202858.6719 2334.4658 0.0000 0.0000 51937.3379 -109404.2015 298.4846 -161341.5394 -109038.6371 299.0114 -21.6547 2.5309 761426.9751 9.0561 9.1069 PRESSURE: 2233200 379.934 72.2076 -89.6126 72.2072 84.6418 -147.789 -89.6116 -147.788 88.6752 GPRESSURE: 2233200 458.369 -31.0163 -66.222 58.8317 33.6969 -110.405 -147.951 -77.254 136.208 PRESSAVG: 2233200 -16.0105 -7.53453 -29.7991 -7.53457 -2.79022 -1.60556 -29.7991 -1.60558 -7.11958 GPRESSAVG: 2233200 -16.259 -9.67241 -28.7071 -5.83656 -3.01528 -2.01022 -31.1787 -0.53755 -6.44335 TIMING: 2233200 CPU: 7057.41, 0.00312825/step Wall: 7057.41, 0.00312825/step, 2.40423 hours remaining, 234.679688 MB of memory in use. ENERGY: 2233200 3894.8141 20492.6371 14536.2255 244.3191 -203307.4225 2488.3645 0.0000 0.0000 52250.5004 -109400.5618 300.2843 -161651.0622 -109043.7190 298.5738 184.4169 209.4245 756588.2453 -8.6401 -8.5726 PRESSURE: 2233400 -283.026 -44.2823 -25.6752 -44.282 -59.5488 19.6745 -25.6753 19.6751 -368.918 GPRESSURE: 2233400 -295.987 62.0211 -31.2206 -20.6245 -6.26306 49.7574 36.1487 -44.1207 -312.319 PRESSAVG: 2233400 -42.6513 18.8534 -1.13708 18.8534 63.9821 -3.39827 -1.13702 -3.39829 4.15989 GPRESSAVG: 2233400 -41.8183 21.5929 -1.80898 17.061 64.0373 -2.0935 0.646149 -2.54678 3.75889 TIMING: 2233400 CPU: 7058.04, 0.00313331/step Wall: 7058.04, 0.00313331/step, 2.40795 hours remaining, 234.882812 MB of memory in use. ENERGY: 2233400 3965.3841 20433.8005 14518.0421 237.1022 -202942.5393 2459.6289 0.0000 0.0000 51868.0399 -109460.5416 298.0863 -161328.5815 -109104.9174 298.8831 -237.1642 -204.8562 761411.7709 8.4969 8.6593 PRESSURE: 2233600 20.9736 3.35147 19.9725 3.35233 -92.872 181.859 19.9722 181.86 -23.4686 GPRESSURE: 2233600 -6.23503 -7.90632 88.9208 -19.2576 0.957539 146.52 -29.5998 127.151 3.54146 PRESSAVG: 2233600 4.59646 -10.1487 21.8843 -10.1487 -23.3712 7.86362 21.8843 7.86366 -7.56801 GPRESSAVG: 2233600 3.95393 -11.7018 21.0994 -8.91651 -22.4437 5.93527 22.6068 6.57133 -7.99908 TIMING: 2233600 CPU: 7058.66, 0.00312814/step Wall: 7058.66, 0.00312814/step, 2.4038 hours remaining, 234.882812 MB of memory in use. ENERGY: 2233600 3960.5572 20455.3028 14481.5185 251.8641 -202951.4928 2578.4665 0.0000 0.0000 51783.9274 -109439.8563 297.6029 -161223.7837 -109083.8666 298.6657 -31.7890 -0.5787 761861.2494 -8.7809 -8.8296 PRESSURE: 2233800 131.692 98.3764 63.0337 98.3759 -141.419 -183.94 63.0342 -183.94 315.505 GPRESSURE: 2233800 163.954 125.665 -25.0843 136.101 -90.988 -144.036 85.2572 -322.952 320.296 PRESSAVG: 2233800 -22.2113 -20.8663 45.0778 -20.8664 42.075 -5.05707 45.0778 -5.05708 -5.18363 GPRESSAVG: 2233800 -22.6286 -20.4322 46.2637 -21.8191 41.394 -4.53526 43.4944 -5.61568 -4.64749 TIMING: 2233800 CPU: 7059.29, 0.00313154/step Wall: 7059.29, 0.00313154/step, 2.40624 hours remaining, 234.882812 MB of memory in use. ENERGY: 2233800 3991.3092 20548.0430 14482.0599 248.3370 -203221.7203 2643.9123 0.0000 0.0000 52075.7281 -109232.3308 299.2799 -161308.0589 -108869.0889 299.3528 101.9260 131.0874 761703.8377 4.8934 4.7060 PRESSURE: 2234000 -89.4797 97.9275 30.7235 97.928 218.199 -207.507 30.724 -207.506 -257.703 GPRESSURE: 2234000 -2.00846 -30.8564 58.7718 58.1268 170.46 -207.468 88.2912 -210.763 -227.933 PRESSAVG: 2234000 -14.1595 25.7642 22.796 25.7643 -27.0572 -72.1639 22.796 -72.1639 -12.2234 GPRESSAVG: 2234000 -13.0462 27.6583 23.8271 25.313 -28.3388 -72.3915 23.9135 -72.5646 -12.2856 TIMING: 2234000 CPU: 7059.92, 0.00313813/step Wall: 7059.92, 0.00313813/step, 2.41113 hours remaining, 234.949219 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: 2234000 4007.3136 20441.9725 14508.9776 244.6745 -203141.3465 2383.6634 0.0000 0.0000 52115.4040 -109439.3409 299.5079 -161554.7448 -109074.8763 299.1050 -42.9943 -19.8272 761272.9306 -17.8134 -17.8902 PRESSURE: 2234200 -42.96 -40.3402 -99.9394 -40.3404 -377.184 -67.8178 -99.9399 -67.8172 -500.581 GPRESSURE: 2234200 -19.0173 11.6058 -45.2569 -55.6657 -294.44 -184.709 -42.9379 -116.881 -527.056 PRESSAVG: 2234200 18.5947 -8.42781 23.7205 -8.42783 -4.66037 -40.8177 23.7204 -40.8178 -10.8819 GPRESSAVG: 2234200 17.5472 -9.32385 22.9812 -8.51818 -3.39526 -39.6798 24.0515 -38.6597 -11.5754 TIMING: 2234200 CPU: 7060.54, 0.00311341/step Wall: 7060.54, 0.00311341/step, 2.39196 hours remaining, 234.949219 MB of memory in use. ENERGY: 2234200 4019.5894 20541.1080 14526.1687 233.9501 -203113.5231 2674.2900 0.0000 0.0000 51704.1330 -109414.2840 297.1444 -161118.4169 -109059.7210 298.9428 -306.9085 -280.1712 762686.8558 1.0175 0.8589 PRESSURE: 2234400 31.5429 -240.46 58.7357 -240.46 136.006 -64.04 58.7357 -64.0404 -377.277 GPRESSURE: 2234400 -50.9631 -304.161 79.8368 -262.006 203.535 -46.616 68.9648 -84.337 -257.627 PRESSAVG: 2234400 -21.1284 6.65722 32.7576 6.65722 -9.27956 -17.1879 32.7576 -17.1878 -9.05725 GPRESSAVG: 2234400 -21.9162 5.94879 30.4026 9.20715 -10.3413 -16.6834 32.4957 -20.1552 -6.8463 TIMING: 2234400 CPU: 7061.17, 0.0031289/step Wall: 7061.17, 0.0031289/step, 2.40369 hours remaining, 234.949219 MB of memory in use. ENERGY: 2234400 4039.7186 20452.2842 14488.2603 222.9968 -203376.3349 2688.7770 0.0000 0.0000 51976.5739 -109507.7240 298.7101 -161484.2979 -109142.5557 298.7651 -69.9093 -35.0184 762789.0495 -13.1551 -13.0346 PRESSURE: 2234600 -717.204 81.0109 70.1816 81.011 -24.2084 -78.134 70.1819 -78.1341 -388.511 GPRESSURE: 2234600 -662.407 37.0147 9.2479 -31.6603 -53.1027 -106.796 46.9168 8.49883 -321.294 PRESSAVG: 2234600 -50.8749 5.40167 -15.9591 5.40166 21.84 -33.3681 -15.9591 -33.3682 -3.47854 GPRESSAVG: 2234600 -51.3185 5.34641 -13.0592 5.76527 22.3623 -34.0755 -17.9542 -30.0427 -3.85616 TIMING: 2234600 CPU: 7061.8, 0.0031488/step Wall: 7061.8, 0.0031488/step, 2.4188 hours remaining, 234.949219 MB of memory in use. ENERGY: 2234600 4009.2063 20242.2920 14501.7290 260.6229 -202767.1061 2219.1729 0.0000 0.0000 51982.1076 -109551.9754 298.7419 -161534.0830 -109180.8963 298.7953 -376.6414 -345.6011 762510.3995 -10.8378 -10.9374 PRESSURE: 2234800 92.5935 -13.4706 276.213 -13.4711 -91.9689 -28.1926 276.213 -28.1918 28.3725 GPRESSURE: 2234800 104.244 -72.2934 333.988 -77.7112 -140.934 19.7347 364.483 -52.2279 156.289 PRESSAVG: 2234800 19.1902 -2.61159 47.6447 -2.6115 -43.3104 -2.45918 47.6447 -2.45922 4.62458 GPRESSAVG: 2234800 19.7696 -1.70864 44.9734 -5.62868 -42.8084 -2.08665 48.6456 -3.31758 3.34886 TIMING: 2234800 CPU: 7062.42, 0.00314219/step Wall: 7062.42, 0.00314219/step, 2.41355 hours remaining, 234.949219 MB of memory in use. ENERGY: 2234800 3955.8823 20491.2245 14544.0763 249.7996 -203054.5600 2220.6101 0.0000 0.0000 51903.8525 -109689.1147 298.2922 -161592.9671 -109337.3789 298.6430 9.6657 39.8662 761487.5883 -6.4986 -6.5633 PRESSURE: 2235000 316.355 57.478 -17.3772 57.4776 63.6096 -147.648 -17.3777 -147.648 382.91 GPRESSURE: 2235000 267.434 167.522 18.685 50.6534 177.292 -124.798 -46.1268 -219.869 392.287 PRESSAVG: 2235000 15.2181 -61.9326 11.1963 -61.9326 27.4219 26.5301 11.1964 26.5301 -1.79832 GPRESSAVG: 2235000 14.7995 -63.9623 13.9261 -59.4852 27.2768 25.3785 10.6981 25.2171 -1.48294 TIMING: 2235000 CPU: 7063.05, 0.00313883/step Wall: 7063.05, 0.00313883/step, 2.4108 hours remaining, 234.949219 MB of memory in use. ENERGY: 2235000 3980.9724 20392.8651 14564.5825 260.5760 -203347.6335 2691.7832 0.0000 0.0000 52026.2511 -109430.6033 298.9956 -161456.8544 -109067.6597 298.6276 254.2913 279.0045 760144.7735 13.6139 13.5311 PRESSURE: 2235200 133.97 -51.2927 -74.7663 -51.293 141.415 90.7767 -74.7648 90.778 284.929 GPRESSURE: 2235200 68.894 59.7521 -7.61035 -26.1935 179.861 72.3288 -22.8852 134.709 406.008 PRESSAVG: 2235200 -20.2641 -8.00296 31.5482 -8.00288 18.7805 69.1821 31.5482 69.1821 27.2427 GPRESSAVG: 2235200 -20.4236 -6.95693 29.5582 -7.42886 18.3781 71.8693 31.1822 67.4734 27.6707 TIMING: 2235200 CPU: 7063.68, 0.00312688/step Wall: 7063.68, 0.00312688/step, 2.40145 hours remaining, 234.949219 MB of memory in use. ENERGY: 2235200 3936.8749 20445.0923 14562.4605 252.7245 -203368.8890 2873.2838 0.0000 0.0000 52012.5936 -109285.8595 298.9171 -161298.4531 -108925.3426 299.0268 186.7714 218.2545 761925.0124 8.5864 8.5417 PRESSURE: 2235400 91.7658 -113.106 230.894 -113.106 -172.521 208.265 230.894 208.267 -370.122 GPRESSURE: 2235400 5.54908 -165.126 296.876 -191.971 -35.0519 223.839 170.271 75.9582 -353.013 PRESSAVG: 2235400 35.0321 -35.5468 0.427888 -35.5468 -67.3091 -4.49518 0.427882 -4.4951 25.8273 GPRESSAVG: 2235400 34.7494 -34.6154 1.52957 -37.6731 -66.9752 -5.25082 0.152538 -3.76844 26.4522 TIMING: 2235400 CPU: 7064.3, 0.0031351/step Wall: 7064.3, 0.0031351/step, 2.40758 hours remaining, 234.949219 MB of memory in use. ENERGY: 2235400 3963.9532 20580.2959 14567.7793 253.5702 -203334.4531 2555.4662 0.0000 0.0000 51972.9550 -109440.4332 298.6893 -161413.3882 -109065.6644 299.2081 -150.2925 -127.5051 762618.7705 -2.1499 -1.9245 PRESSURE: 2235600 -100.358 37.0916 19.6958 37.0914 -229.78 199.848 19.696 199.85 24.2105 GPRESSURE: 2235600 -155.176 30.4319 16.3179 -50.4318 -147.607 134.172 90.101 119.191 79.4148 PRESSAVG: 2235600 34.0109 8.07552 3.15584 8.07553 0.207279 0.572933 3.15586 0.572871 2.75877 GPRESSAVG: 2235600 33.6677 6.97664 2.6777 8.43658 0.137013 1.60626 5.42151 0.249768 2.52929 TIMING: 2235600 CPU: 7064.93, 0.003141/step Wall: 7064.93, 0.003141/step, 2.41194 hours remaining, 234.949219 MB of memory in use. ENERGY: 2235600 4020.8277 20537.9339 14546.9126 257.4093 -203170.4645 2286.7511 0.0000 0.0000 52151.1952 -109369.4347 299.7136 -161520.6299 -109003.4831 298.7586 -101.9759 -74.4562 761139.5858 12.3257 12.1113 PRESSURE: 2235800 29.758 -4.058 -286.38 -4.05773 -396.105 55.6736 -286.38 55.6741 -38.5212 GPRESSURE: 2235800 63.1373 38.131 -242.523 -89.3008 -317.244 107.051 -241.031 57.9099 -52.5031 PRESSAVG: 2235800 4.74602 6.079 16.4455 6.07894 28.5744 0.481395 16.4454 0.481448 15.1895 GPRESSAVG: 2235800 6.43005 7.50976 16.6952 7.49118 28.357 -0.895714 16.7632 1.93271 13.8678 TIMING: 2235800 CPU: 7065.56, 0.00313754/step Wall: 7065.56, 0.00313754/step, 2.40911 hours remaining, 234.949219 MB of memory in use. ENERGY: 2235800 3988.9159 20447.4371 14542.1269 238.6841 -203100.6734 2350.2541 0.0000 0.0000 52078.0117 -109455.2435 299.2930 -161533.2552 -109084.2546 299.4653 -134.9561 -102.2033 762401.7271 16.1700 16.2183 PRESSURE: 2236000 113.634 -346.994 71.9874 -346.994 99.7036 91.866 71.9879 91.8652 -108.314 GPRESSURE: 2236000 141.986 -399.899 24.1612 -363.198 147.06 117.9 154.833 74.7958 -100.842 PRESSAVG: 2236000 -21.3427 27.516 30.0835 27.516 20.5454 16.6168 30.0836 16.6169 -14.6565 GPRESSAVG: 2236000 -21.9367 25.8993 30.5754 26.0032 20.7557 16.3599 29.5139 17.386 -14.3845 TIMING: 2236000 CPU: 7066.19, 0.00314391/step Wall: 7066.19, 0.00314391/step, 2.41382 hours remaining, 234.949219 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: 2236000 4056.3751 20619.8934 14570.5346 252.1783 -203999.5404 2853.1300 0.0000 0.0000 52026.6965 -109620.7324 298.9981 -161647.4289 -109264.4702 299.1226 35.0079 62.7342 759575.0678 -5.1513 -5.1885 PRESSURE: 2236200 -183.254 -56.1353 134.169 -56.1351 97.3931 -152.822 134.169 -152.822 3.78895 GPRESSURE: 2236200 -179.075 -48.1422 32.5193 29.7113 110.296 -184.634 194.378 -60.9596 72.0702 PRESSAVG: 2236200 11.8795 -48.7304 19.651 -48.7304 -36.1697 3.82384 19.6511 3.82378 -23.4269 GPRESSAVG: 2236200 11.5224 -46.2957 17.7738 -48.2947 -36.6584 3.15536 18.3593 2.59309 -22.0282 TIMING: 2236200 CPU: 7066.82, 0.00313809/step Wall: 7066.82, 0.00313809/step, 2.40918 hours remaining, 234.949219 MB of memory in use. ENERGY: 2236200 3953.9638 20524.7568 14532.1892 233.7980 -203476.4955 2530.6159 0.0000 0.0000 52075.3300 -109625.8418 299.2776 -161701.1718 -109261.8051 298.9907 -27.3572 1.0971 760838.6753 -15.9057 -15.7214 LDB: ============= START OF LOAD BALANCING ============== 7079.35 LDB: ============== END OF LOAD BALANCING =============== 7079.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7079.35 LDB: ============= START OF LOAD BALANCING ============== 7079.66 LDB: Largest compute 7031 load 0.031854 is 16.3% of average load 0.195494 LDB: Average compute 0.004400 is 2.3% of average load 0.195494 LDB: TIME 7079.67 LOAD: AVG 0.195494 MAX 0.21462 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 7079.67 LOAD: AVG 0.195494 MAX 0.21462 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: TIME 7079.67 LOAD: AVG 0.195494 MAX 0.21462 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: ============== END OF LOAD BALANCING =============== 7079.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7079.68 PRESSURE: 2236400 4.68913 192.16 292.38 192.16 274.23 -137.657 292.381 -137.657 148.946 GPRESSURE: 2236400 43.6335 179.681 224.738 103.717 344.748 -199.059 212.727 -237.41 125.43 PRESSAVG: 2236400 -11.1075 -17.6718 18.7281 -17.6718 8.12626 44.9324 18.7281 44.9323 22.9704 GPRESSAVG: 2236400 -10.6346 -18.1811 19.4263 -18.2359 7.66707 45.5856 20.2276 45.0781 22.7997 TIMING: 2236400 CPU: 7067.46, 0.00321036/step Wall: 7067.46, 0.00321036/step, 2.46448 hours remaining, 234.937500 MB of memory in use. ENERGY: 2236400 4021.1922 20530.1062 14565.7409 256.5419 -203621.1325 2569.3784 0.0000 0.0000 51966.5499 -109711.6231 298.6525 -161678.1730 -109348.6393 298.7020 142.6217 171.2705 759901.6838 6.6631 6.6107 PRESSURE: 2236600 3.71604 180.279 6.34178 180.279 137.171 55.1931 6.34169 55.1928 459.266 GPRESSURE: 2236600 57.6125 61.8631 -29.5642 115.945 236.914 -43.7259 8.24359 150.858 408.316 PRESSAVG: 2236600 -40.6541 -13.8746 42.3158 -13.8745 -12.9127 45.4958 42.3158 45.4957 1.34409 GPRESSAVG: 2236600 -39.8708 -16.116 41.855 -13.6406 -11.4398 44.2356 40.6055 47.3071 0.116709 TIMING: 2236600 CPU: 7068.08, 0.00313005/step Wall: 7068.08, 0.00313005/step, 2.40266 hours remaining, 235.003906 MB of memory in use. ENERGY: 2236600 3949.7461 20452.2236 14541.1850 235.5283 -203541.8545 2480.2399 0.0000 0.0000 52041.6435 -109841.2880 299.0840 -161882.9315 -109471.9632 298.4828 200.0509 234.2809 760064.3010 -17.4076 -17.0646 PRESSURE: 2236800 -201.246 -52.0835 -70.3747 -52.0837 -195.911 47.901 -70.3741 47.901 -191.563 GPRESSURE: 2236800 -181.075 -54.8885 -95.5691 -54.8503 -110.848 95.674 -20.549 72.9228 -201.052 PRESSAVG: 2236800 20.6881 -11.4291 39.9632 -11.4291 -7.03616 16.1655 39.9632 16.1655 10.1675 GPRESSAVG: 2236800 20.8131 -9.68224 39.9938 -11.3691 -7.47658 17.4888 40.5121 15.0121 10.8643 TIMING: 2236800 CPU: 7068.71, 0.00313555/step Wall: 7068.71, 0.00313555/step, 2.40671 hours remaining, 234.992188 MB of memory in use. ENERGY: 2236800 4017.1497 20691.9537 14518.4366 237.5927 -203485.8446 2431.7203 0.0000 0.0000 51763.6020 -109825.3895 297.4861 -161588.9915 -109462.2354 298.6249 -196.2400 -164.3249 761927.1502 7.9398 8.0669 PRESSURE: 2237000 113.537 41.2478 -262.328 41.2481 114.467 -194.514 -262.328 -194.514 -232.53 GPRESSURE: 2237000 113.429 62.9417 -226.585 11.6882 82.5475 -216.518 -140.492 -210.965 -129.266 PRESSAVG: 2237000 79.0596 -21.0474 3.52677 -21.0474 -54.9356 -26.807 3.52678 -26.807 -1.46562 GPRESSAVG: 2237000 80.3222 -21.3128 4.06047 -22.603 -55.3725 -27.2626 4.78865 -25.3796 -1.85709 TIMING: 2237000 CPU: 7069.34, 0.00313843/step Wall: 7069.34, 0.00313843/step, 2.40874 hours remaining, 234.992188 MB of memory in use. ENERGY: 2237000 4021.0077 20485.4410 14549.1967 250.5350 -203464.5217 2461.6944 0.0000 0.0000 51914.0316 -109782.6153 298.3507 -161696.6470 -109424.1160 298.4229 -1.5084 22.2367 761290.6729 7.5528 7.6975 PRESSURE: 2237200 -265.133 100.099 -177.489 100.1 -509.313 -69.9097 -177.489 -69.9096 -323.638 GPRESSURE: 2237200 -227.682 34.6866 -180.241 27.4596 -462.905 -17.6035 -117.879 -133.284 -322.575 PRESSAVG: 2237200 -49.9787 -23.6923 82.1042 -23.6924 -1.50226 1.02306 82.1042 1.023 -19.3519 GPRESSAVG: 2237200 -51.0417 -25.1929 81.583 -22.5118 -0.0360871 1.41921 82.1659 -1.91871 -19.6661 TIMING: 2237200 CPU: 7069.97, 0.00313905/step Wall: 7069.97, 0.00313905/step, 2.40905 hours remaining, 234.992188 MB of memory in use. ENERGY: 2237200 3984.8432 20582.3606 14498.6497 243.3620 -203517.0559 2496.2781 0.0000 0.0000 51858.2126 -109853.3496 298.0299 -161711.5622 -109477.3336 298.3953 -366.0279 -337.7205 762527.0003 -23.6109 -23.5813 PRESSURE: 2237400 306.85 -116.312 2.7305 -116.312 294.442 73.8314 2.73034 73.8303 14.1768 GPRESSURE: 2237400 233.992 -34.9196 -27.8508 -48.3413 387.747 -12.0091 54.0351 119.58 98.0681 PRESSAVG: 2237400 -8.46591 -11.7288 -0.368269 -11.7288 -9.20567 -6.32456 -0.36824 -6.32454 -11.5021 GPRESSAVG: 2237400 -9.00178 -12.4563 -1.12893 -10.0307 -8.83429 -7.14301 0.574705 -4.93595 -10.9497 TIMING: 2237400 CPU: 7070.59, 0.00313052/step Wall: 7070.59, 0.00313052/step, 2.40233 hours remaining, 234.992188 MB of memory in use. ENERGY: 2237400 3998.2846 20659.2577 14455.7762 246.6062 -203647.4369 2685.3264 0.0000 0.0000 51602.2919 -109999.8938 296.5591 -161602.1857 -109641.1434 298.1717 205.1564 239.9358 760342.8536 -9.7246 -9.5953 PRESSURE: 2237600 -95.2709 -163.539 -228.402 -163.539 -270.439 82.9264 -228.401 82.926 -99.8324 GPRESSURE: 2237600 -46.9737 -119.784 -194.186 -94.9295 -263.952 89.3082 -200.278 4.3335 -60.2868 PRESSAVG: 2237600 59.668 -29.9514 -33.2542 -29.9514 3.22609 6.15325 -33.2543 6.15317 8.7703 GPRESSAVG: 2237600 60.2394 -30.3092 -32.6431 -31.7242 2.66586 5.99609 -34.332 6.21087 8.62669 TIMING: 2237600 CPU: 7071.22, 0.00313947/step Wall: 7071.22, 0.00313947/step, 2.40902 hours remaining, 234.992188 MB of memory in use. ENERGY: 2237600 3925.7906 20460.1216 14518.7304 250.9679 -203858.8411 2667.1574 0.0000 0.0000 52032.2553 -110003.8178 299.0301 -162036.0732 -109639.1355 298.1003 -155.1808 -123.7376 761102.7397 23.8881 23.8440 PRESSURE: 2237800 185.279 -143.049 86.5417 -143.049 -32.9202 34.513 86.5422 34.5132 -57.439 GPRESSURE: 2237800 228.8 -88.68 95.2423 -143.507 19.8054 116.699 76.2903 -83.0735 -60.7817 PRESSAVG: 2237800 7.11549 -74.9727 -34.7745 -74.9727 -50.0698 -9.93316 -34.7746 -9.93314 12.5934 GPRESSAVG: 2237800 7.17971 -73.1417 -33.7341 -74.5536 -50.636 -9.34559 -36.5812 -11.2032 13.1071 TIMING: 2237800 CPU: 7071.85, 0.00312663/step Wall: 7071.85, 0.00312663/step, 2.399 hours remaining, 234.992188 MB of memory in use. ENERGY: 2237800 4027.5346 20252.2479 14451.2492 213.1058 -203112.6175 2554.0237 0.0000 0.0000 51802.7656 -109811.6908 297.7112 -161614.4564 -109449.8298 298.6015 31.6398 62.6078 762054.4419 -10.1203 -10.1164 PRESSURE: 2238000 -127.731 -24.8146 -269.545 -24.8147 21.1009 -12.3274 -269.546 -12.3274 445.239 GPRESSURE: 2238000 -53.6361 -4.43662 -199.767 -105.348 42.1904 6.83405 -325.667 32.7681 455.865 PRESSAVG: 2238000 57.2182 -32.4439 -17.4897 -32.4439 1.68439 -10.8721 -17.4896 -10.8721 -0.286329 GPRESSAVG: 2238000 57.8287 -33.544 -16.6388 -33.4449 2.44288 -10.8416 -16.5535 -10.1836 -1.49576 TIMING: 2238000 CPU: 7072.47, 0.00314074/step Wall: 7072.47, 0.00314074/step, 2.40965 hours remaining, 234.992188 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: 2238000 4034.6774 20581.0539 14538.1198 238.5567 -203548.5494 2931.8892 0.0000 0.0000 51579.1509 -109645.1014 296.4261 -161224.2524 -109291.4318 298.2026 112.8695 148.1397 761514.3477 19.5388 19.5919 PRESSURE: 2238200 -33.3296 -164.612 146.392 -164.613 440.357 -1.77208 146.391 -1.77324 -145.569 GPRESSURE: 2238200 -33.9359 -250.015 114.297 -164.565 483.615 -18.662 185.508 51.7704 -117.48 PRESSAVG: 2238200 -21.8845 -53.2035 -35.3055 -53.2036 -14.4151 -31.3661 -35.3055 -31.3661 12.5045 GPRESSAVG: 2238200 -22.4917 -53.2654 -36.2414 -52.2879 -14.8111 -30.2548 -33.8513 -31.3843 12.9127 TIMING: 2238200 CPU: 7073.1, 0.00314026/step Wall: 7073.1, 0.00314025/step, 2.4091 hours remaining, 234.992188 MB of memory in use. ENERGY: 2238200 4001.2688 20516.9428 14481.2533 235.0699 -203611.7002 2707.2755 0.0000 0.0000 52017.6703 -109652.2195 298.9463 -161669.8898 -109283.1448 298.4631 87.1527 110.7330 760048.9585 -7.9317 -8.1301 PRESSURE: 2238400 19.9454 -56.8032 114.745 -56.8042 -62.0843 -153.008 114.746 -153.008 -183.807 GPRESSURE: 2238400 73.6487 10.8076 87.7297 -24.2954 -25.9987 -230.551 94.1522 -162.553 -194.68 PRESSAVG: 2238400 -57.7271 -21.1107 1.99586 -21.1107 33.0009 -4.56467 1.99586 -4.56477 -1.45964 GPRESSAVG: 2238400 -58.2326 -22.645 1.78499 -20.9324 33.1676 -5.46514 -0.0266835 -5.08378 -1.15115 TIMING: 2238400 CPU: 7073.73, 0.00312808/step Wall: 7073.73, 0.00312808/step, 2.39958 hours remaining, 234.992188 MB of memory in use. ENERGY: 2238400 3931.1128 20345.9783 14469.0473 253.6137 -203112.2560 2595.5105 0.0000 0.0000 52107.9260 -109409.0674 299.4650 -161516.9934 -109042.6153 298.5080 -75.3154 -49.0099 762435.7908 -8.7286 -8.7387 PRESSURE: 2238600 254.604 -25.8137 -189.412 -25.8146 -124.444 24.0763 -189.412 24.0773 89.6046 GPRESSURE: 2238600 243.766 30.8053 -180.216 -55.9859 -115.373 30.2481 -105.038 29.9665 172.303 PRESSAVG: 2238600 -40.3873 -20.3112 1.86977 -20.3113 57.6027 -37.4748 1.86982 -37.4748 1.79079 GPRESSAVG: 2238600 -41.253 -19.3611 0.587232 -22.6168 57.8084 -39.2234 3.26361 -35.2585 2.42155 TIMING: 2238600 CPU: 7074.35, 0.00312312/step Wall: 7074.35, 0.00312312/step, 2.39561 hours remaining, 235.003906 MB of memory in use. ENERGY: 2238600 3903.3605 20491.4570 14545.7915 252.9841 -203062.3892 2665.8576 0.0000 0.0000 51815.1954 -109387.7432 297.7826 -161202.9386 -109031.3117 298.6498 73.2546 100.2322 762599.0271 6.3354 6.3256 PRESSURE: 2238800 91.901 -417.129 39.2008 -417.13 -246.199 85.5444 39.2011 85.544 -202.8 GPRESSURE: 2238800 56.4186 -319.315 -74.0991 -230.494 -143.567 21.9181 80.2335 125.289 -207.346 PRESSAVG: 2238800 -34.0563 -4.31862 -2.24473 -4.31866 49.7033 -24.7261 -2.24463 -24.7262 4.72775 GPRESSAVG: 2238800 -33.3261 -3.19502 0.128479 -1.789 49.6562 -24.2842 -3.90619 -24.3972 4.38733 TIMING: 2238800 CPU: 7074.98, 0.00313937/step Wall: 7074.98, 0.00313937/step, 2.4079 hours remaining, 235.003906 MB of memory in use. ENERGY: 2238800 3990.5812 20317.1927 14503.4040 238.5273 -202895.9484 2438.3751 0.0000 0.0000 51990.0430 -109417.8250 298.7875 -161407.8680 -109049.2649 298.7875 -119.0328 -98.1647 761515.9519 6.7916 6.9058 PRESSURE: 2239000 -178.54 96.7666 105.688 96.7665 423.514 -97.5052 105.688 -97.505 131.032 GPRESSURE: 2239000 -77.948 126.122 62.7711 84.6914 379.15 -58.8344 80.0289 -91.6502 151.865 PRESSAVG: 2239000 -5.30096 -7.30426 30.1697 -7.30431 15.3521 25.5106 30.1697 25.5107 4.77416 GPRESSAVG: 2239000 -4.84921 -6.03933 28.2498 -7.92872 15.295 25.5055 31.9084 25.2029 4.34879 TIMING: 2239000 CPU: 7075.61, 0.00313327/step Wall: 7075.61, 0.00313327/step, 2.40304 hours remaining, 235.003906 MB of memory in use. ENERGY: 2239000 3979.2514 20455.1203 14464.4141 250.1656 -203200.0735 2732.0691 0.0000 0.0000 52044.5037 -109274.5492 299.1005 -161319.0529 -108909.4698 298.7001 125.3355 151.0223 761810.0781 4.9418 4.9315 PRESSURE: 2239200 -291.251 7.36064 -56.3445 7.36041 173.341 109.45 -56.3453 109.45 252.202 GPRESSURE: 2239200 -154.826 -100.881 -37.0035 53.607 148.51 35.4566 -53.2225 41.2327 229.323 PRESSAVG: 2239200 -0.877199 -19.2886 -16.7686 -19.2886 28.2925 -55.4807 -16.7687 -55.4807 1.48164 GPRESSAVG: 2239200 -0.499662 -20.4601 -16.3276 -20.9567 28.2827 -53.5358 -18.9393 -58.1741 1.05812 TIMING: 2239200 CPU: 7076.24, 0.00315404/step Wall: 7076.24, 0.00315404/step, 2.4188 hours remaining, 235.003906 MB of memory in use. ENERGY: 2239200 4024.2072 20556.4940 14471.1887 219.0925 -203588.2636 2936.8247 0.0000 0.0000 51992.8711 -109387.5853 298.8037 -161380.4564 -109025.7722 299.2801 44.7638 74.3357 762102.7690 9.6323 9.6137 PRESSURE: 2239400 -23.0212 -145.295 -9.38884 -145.295 89.1395 206.961 -9.38828 206.961 -170.09 GPRESSURE: 2239400 -14.8403 -189.77 36.232 -65.0055 96.0245 211.048 -10.4681 138.813 -103.433 PRESSAVG: 2239400 -56.5933 -28.2331 17.2602 -28.2331 -12.7256 -16.7002 17.2602 -16.7001 -6.15871 GPRESSAVG: 2239400 -57.8165 -27.9245 17.2168 -28.0265 -13.4943 -16.4477 19.9435 -17.7622 -4.7414 TIMING: 2239400 CPU: 7076.87, 0.00314231/step Wall: 7076.87, 0.00314231/step, 2.40963 hours remaining, 235.003906 MB of memory in use. ENERGY: 2239400 3880.4244 20672.6688 14505.6695 260.3295 -203529.3171 2536.0344 0.0000 0.0000 52069.7914 -109604.3990 299.2458 -161674.1905 -109241.7108 299.2019 -34.6573 -7.4164 760672.9688 -25.1592 -25.3507 PRESSURE: 2239600 76.2457 -124.216 -77.7789 -124.216 -194.971 -57.1524 -77.779 -57.1522 -3.44382 GPRESSURE: 2239600 43.6764 -48.5371 -125.724 -79.3675 -140.33 -70.5433 5.47148 38.0009 59.6956 PRESSAVG: 2239600 -3.56033 12.2519 34.7633 12.2519 -45.7749 37.0041 34.7633 37.0041 15.3924 GPRESSAVG: 2239600 -3.87946 11.5902 35.7181 15.0945 -45.0864 34.9495 32.0765 38.269 14.5429 TIMING: 2239600 CPU: 7077.5, 0.00314189/step Wall: 7077.5, 0.00314189/step, 2.40913 hours remaining, 235.003906 MB of memory in use. ENERGY: 2239600 3949.3039 20578.4448 14420.7347 247.2981 -203123.7995 2269.9617 0.0000 0.0000 52044.0857 -109613.9708 299.0981 -161658.0564 -109246.1813 298.9124 -40.7231 -12.3194 761341.6596 -11.3143 -11.4743 PRESSURE: 2239800 -400.836 -131.866 -25.6099 -131.867 -83.6032 -33.5368 -25.6107 -33.5371 -207.752 GPRESSURE: 2239800 -295.564 -138.024 -35.1317 -74.6478 -94.4458 -78.4721 -208.144 -57.4227 -209.933 PRESSAVG: 2239800 -8.46805 36.8799 -6.84586 36.88 -7.38556 45.8196 -6.84586 45.8196 4.03799 GPRESSAVG: 2239800 -7.08686 37.6005 -9.12617 35.3476 -8.82721 45.7249 -4.89598 46.2176 3.81417 TIMING: 2239800 CPU: 7078.12, 0.00314764/step Wall: 7078.12, 0.00314764/step, 2.41336 hours remaining, 235.003906 MB of memory in use. ENERGY: 2239800 4040.7066 20555.8161 14466.0199 261.7025 -203341.6401 2530.6233 0.0000 0.0000 51996.2142 -109490.5575 298.8230 -161486.7717 -109125.8010 299.3970 -230.7305 -199.9806 760352.0272 -3.9385 -4.0333 PRESSURE: 2240000 -86.9306 82.4033 -60.0043 82.4027 -174.519 179.712 -60.0042 179.712 202.006 GPRESSURE: 2240000 38.0938 -79.7153 50.2547 80.6808 -179.875 135.989 -68.2748 192.016 153.429 PRESSAVG: 2240000 83.5298 -40.4475 -25.8732 -40.4474 -24.3292 19.4833 -25.8732 19.4833 -9.88511 GPRESSAVG: 2240000 82.0307 -40.8355 -23.9008 -41.1255 -22.7656 20.2973 -27.4189 20.503 -9.33563 TIMING: 2240000 CPU: 7078.75, 0.00314293/step Wall: 7078.75, 0.00314293/step, 2.40958 hours remaining, 235.003906 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: 2240000 3955.1158 20630.8169 14561.1806 237.7973 -203761.3637 2831.1436 0.0000 0.0000 52029.6607 -109515.6487 299.0152 -161545.3094 -109151.9284 299.4822 -19.8145 3.8826 760047.2593 16.4385 16.6431 PRESSURE: 2240200 -139.532 64.7374 -52.5593 64.7371 6.20776 68.8325 -52.5591 68.8314 -83.1051 GPRESSURE: 2240200 -66.2751 -9.99483 -81.1905 190.829 -42.9835 20.2252 -3.48731 80.223 -36.8226 PRESSAVG: 2240200 71.9901 -40.2862 -20.2075 -40.2863 -48.3015 45.6534 -20.2076 45.6534 22.3744 GPRESSAVG: 2240200 73.8306 -40.1756 -20.0869 -38.7749 -49.6995 45.2071 -18.17 45.3433 21.2863 TIMING: 2240200 CPU: 7079.38, 0.00314987/step Wall: 7079.38, 0.00314987/step, 2.41473 hours remaining, 235.003906 MB of memory in use. ENERGY: 2240200 3971.6921 20680.3708 14542.6626 258.4627 -204143.5956 3034.7832 0.0000 0.0000 52270.3313 -109385.2928 300.3983 -161655.6241 -109037.9685 299.1955 -72.1432 -48.6938 760327.8617 15.3543 15.1391 LDB: ============= START OF LOAD BALANCING ============== 7091.92 LDB: ============== END OF LOAD BALANCING =============== 7091.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7091.92 LDB: ============= START OF LOAD BALANCING ============== 7092.23 LDB: Largest compute 7056 load 0.032285 is 16.5% of average load 0.195483 LDB: Average compute 0.004411 is 2.3% of average load 0.195483 LDB: TIME 7092.23 LOAD: AVG 0.195483 MAX 0.214804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.25 MB LDB: TIME 7092.24 LOAD: AVG 0.195483 MAX 0.214804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 7092.24 LOAD: AVG 0.195483 MAX 0.214804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 7092.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7092.24 PRESSURE: 2240400 -217.872 -212.617 42.6678 -212.617 -163.39 -119.235 42.6682 -119.235 -448.367 GPRESSURE: 2240400 -141.008 -87.6689 97.8761 -270.968 -158.938 -102.193 36.3946 -35.4784 -450.4 PRESSAVG: 2240400 52.2354 -18.5131 7.88142 -18.5131 -70.4507 -64.9906 7.88146 -64.9906 10.0462 GPRESSAVG: 2240400 51.3294 -19.785 6.68822 -18.4624 -69.8288 -64.773 8.93633 -64.8677 10.2847 TIMING: 2240400 CPU: 7080.03, 0.00320958/step Wall: 7080.03, 0.00320958/step, 2.46032 hours remaining, 234.023438 MB of memory in use. ENERGY: 2240400 4080.8814 20418.5268 14492.6071 265.5947 -203365.2221 2353.0642 0.0000 0.0000 52376.8946 -109377.6534 301.0107 -161754.5480 -109015.4863 299.5531 -276.5428 -250.1150 762394.7411 -2.7231 -2.7382 PRESSURE: 2240600 149.554 -119.404 -55.2223 -119.404 143.739 -79.0567 -55.2226 -79.0566 -357.114 GPRESSURE: 2240600 122.364 -148.524 -15.7942 -92.5676 288.228 -73.7394 58.6743 -52.1211 -405.327 PRESSAVG: 2240600 74.4592 -25.7504 17.7193 -25.7504 -47.8393 -28.4253 17.7193 -28.4254 -5.68505 GPRESSAVG: 2240600 74.5558 -25.7062 18.2026 -26.273 -47.8498 -29.0714 16.1653 -28.7311 -5.69802 TIMING: 2240600 CPU: 7080.65, 0.0031422/step Wall: 7080.65, 0.0031422/step, 2.40849 hours remaining, 234.023438 MB of memory in use. ENERGY: 2240600 3950.3596 20510.9082 14543.7033 241.9850 -203622.4628 2760.9285 0.0000 0.0000 52193.6314 -109420.9467 299.9575 -161614.5781 -109064.0282 299.8079 -21.2734 1.7552 760326.1047 6.9783 7.0027 PRESSURE: 2240800 202.857 195.38 68.4555 195.379 169.536 -102.611 68.4548 -102.611 85.8313 GPRESSURE: 2240800 249.172 166 126.781 129.969 144.225 -175.855 81.7046 -151.65 147.503 PRESSAVG: 2240800 46.2426 -25.417 74.3844 -25.4169 -56.4557 -28.5519 74.3844 -28.5518 -4.95781 GPRESSAVG: 2240800 44.5051 -23.9727 75.2512 -25.792 -55.7406 -28.3577 75.3172 -30.0627 -3.89968 TIMING: 2240800 CPU: 7081.28, 0.00313997/step Wall: 7081.28, 0.00313997/step, 2.40661 hours remaining, 234.023438 MB of memory in use. ENERGY: 2240800 3886.7785 20510.4970 14517.5046 238.1649 -203940.9107 3157.8803 0.0000 0.0000 51945.1153 -109684.9702 298.5293 -161630.0855 -109324.0654 299.1345 152.7414 180.3000 760478.5233 -5.0570 -5.0451 PRESSURE: 2241000 116.745 104.07 148.669 104.071 -81.5175 39.7411 148.67 39.7404 -147.092 GPRESSURE: 2241000 129.347 70.8543 178.558 44.9919 -8.89907 -14.9299 53.4515 15.2544 -133.21 PRESSAVG: 2241000 38.4793 -55.1869 9.2182 -55.1869 -11.2841 45.3235 9.2182 45.3234 11.3955 GPRESSAVG: 2241000 39.6957 -54.23 9.24821 -56.5594 -11.4962 44.8724 10.3297 46.9799 10.0849 TIMING: 2241000 CPU: 7081.91, 0.00312882/step Wall: 7081.91, 0.00312882/step, 2.3979 hours remaining, 234.023438 MB of memory in use. ENERGY: 2241000 3959.3130 20377.5264 14503.3706 241.1835 -203400.3873 2636.1333 0.0000 0.0000 51873.7484 -109809.1120 298.1191 -161682.8604 -109450.4490 298.3937 -37.2879 -4.2538 761407.1795 12.8636 12.7615 PRESSURE: 2241200 21.7631 140.894 -212.628 140.893 -125.822 230.884 -212.628 230.884 -165.37 GPRESSURE: 2241200 20.1501 100.899 -89.9257 -28.1614 -90.0349 216.155 -166.859 340.358 -108.569 PRESSAVG: 2241200 29.8097 -23.4815 16.3823 -23.4815 -27.6916 -39.6445 16.3824 -39.6446 13.7493 GPRESSAVG: 2241200 31.4068 -25.5196 16.6434 -22.4364 -29.323 -39.1466 13.8581 -39.9101 14.0906 TIMING: 2241200 CPU: 7082.53, 0.00311883/step Wall: 7082.53, 0.00311883/step, 2.39006 hours remaining, 234.023438 MB of memory in use. ENERGY: 2241200 4012.5996 20440.2297 14551.5486 275.0543 -203373.9512 2527.9787 0.0000 0.0000 51899.2839 -109667.2564 298.2659 -161566.5403 -109297.9746 299.0627 -89.8097 -59.4845 761717.7070 5.2891 5.3915 PRESSURE: 2241400 -140.794 115.764 -141.732 115.764 -107.585 76.4927 -141.732 76.4934 464.997 GPRESSURE: 2241400 -101.093 155.615 -157.394 32.9454 -127.9 68.6666 66.3354 95.5508 534.551 PRESSAVG: 2241400 -16.0413 -47.4933 -6.76287 -47.4934 17.1091 -36.6319 -6.76283 -36.6318 2.6406 GPRESSAVG: 2241400 -16.2852 -49.2953 -7.01705 -47.7149 16.3471 -34.0094 -6.99308 -38.1292 3.66398 TIMING: 2241400 CPU: 7083.16, 0.00313435/step Wall: 7083.16, 0.00313435/step, 2.40178 hours remaining, 234.023438 MB of memory in use. ENERGY: 2241400 4003.5815 20470.1857 14551.8083 229.8854 -203489.2912 2607.4612 0.0000 0.0000 52079.0974 -109547.2717 299.2993 -161626.3691 -109200.8838 298.7062 72.2062 101.8528 761966.5363 1.2361 1.2419 PRESSURE: 2241600 -148.684 28.7172 -205.189 28.7176 -387.72 -239.49 -205.19 -239.489 83.7419 GPRESSURE: 2241600 -140.768 138.787 -254.898 56.8142 -377.781 -219.5 -217.103 -283.025 138.049 PRESSAVG: 2241600 19.3698 -28.808 -66.5375 -28.8079 -0.434443 -25.5104 -66.5375 -25.5105 -3.48159 GPRESSAVG: 2241600 18.8978 -27.1163 -67.8025 -29.4048 0.321192 -27.8558 -63.5903 -25.4658 -3.93701 TIMING: 2241600 CPU: 7083.78, 0.00313346/step Wall: 7083.78, 0.00313346/step, 2.40093 hours remaining, 234.023438 MB of memory in use. ENERGY: 2241600 3985.4913 20368.8840 14573.9735 245.0660 -203213.3031 2607.5378 0.0000 0.0000 51939.5602 -109492.7903 298.4974 -161432.3504 -109140.6552 298.9083 -150.8871 -126.8336 764527.3572 5.1512 5.0940 PRESSURE: 2241800 67.4212 -209.952 73.8868 -209.951 399.271 151.09 73.8875 151.09 317.366 GPRESSURE: 2241800 190.15 -234.534 27.7862 -124.659 304.057 122.882 112.019 146.97 369.469 PRESSAVG: 2241800 -3.50927 -20.2825 11.1544 -20.2824 5.41294 -16.2432 11.1544 -16.2431 -6.00765 GPRESSAVG: 2241800 -3.40632 -21.215 11.0932 -19.6375 4.85153 -15.6173 10.3588 -14.3383 -6.04896 TIMING: 2241800 CPU: 7084.41, 0.00312996/step Wall: 7084.41, 0.00312996/step, 2.39807 hours remaining, 234.023438 MB of memory in use. ENERGY: 2241800 3943.3766 20604.2444 14514.0747 242.0793 -203636.5264 2850.9345 0.0000 0.0000 52055.1220 -109426.6948 299.1615 -161481.8168 -109070.2346 298.5439 261.3529 287.8920 761388.8904 -1.3680 -1.5346 PRESSURE: 2242000 251.874 -65.6109 -33.7744 -65.6103 345.954 -235.735 -33.7732 -235.734 148.344 GPRESSURE: 2242000 327.465 66.1349 14.5511 -169.613 335.352 -235.43 -58.5234 -97.2032 166.955 PRESSAVG: 2242000 14.1292 -8.29029 22.4345 -8.29029 23.5492 4.16287 22.4345 4.16288 -8.52429 GPRESSAVG: 2242000 14.5401 -6.5498 24.1855 -7.15409 24.2157 4.61405 22.6981 4.19889 -9.46866 TIMING: 2242000 CPU: 7085.04, 0.00312376/step Wall: 7085.04, 0.00312376/step, 2.39314 hours remaining, 234.023438 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: 2242000 3971.6057 20611.8460 14568.3355 252.0787 -203277.0483 2497.9236 0.0000 0.0000 51901.4938 -109473.7650 298.2786 -161375.2588 -109121.0877 299.3593 248.7236 276.5909 760413.5678 9.7181 9.7624 PRESSURE: 2242200 225.514 -37.5432 125.326 -37.5438 37.6674 -90.3918 125.326 -90.3916 57.0803 GPRESSURE: 2242200 226.924 64.9138 8.8255 101.051 93.608 -84.592 98.6682 -39.5221 77.0037 PRESSAVG: 2242200 3.14345 -88.5052 1.45875 -88.5052 18.9161 -31.7176 1.45872 -31.7175 36.9708 GPRESSAVG: 2242200 3.97462 -88.8204 -0.719244 -88.7077 18.4891 -30.9485 -0.0362195 -32.807 36.5773 TIMING: 2242200 CPU: 7085.66, 0.00314287/step Wall: 7085.66, 0.00314287/step, 2.40761 hours remaining, 234.023438 MB of memory in use. ENERGY: 2242200 3879.3508 20461.3500 14515.3351 240.2493 -203457.4148 2730.2145 0.0000 0.0000 52017.5942 -109613.3209 298.9458 -161630.9152 -109251.1108 298.9493 106.7538 132.5118 760665.4852 19.6768 19.6803 PRESSURE: 2242400 -149.36 -198.775 -246.439 -198.776 -173.295 212.999 -246.439 212.999 -174.305 GPRESSURE: 2242400 -50.6561 -273.925 -158.072 -128.712 -225.47 224.57 -177.444 140.593 -138.641 PRESSAVG: 2242400 -44.2537 -37.76 -21.7807 -37.76 -2.39789 9.79376 -21.7806 9.79383 -22.5426 GPRESSAVG: 2242400 -45.5222 -37.321 -19.2987 -37.9666 -2.74942 5.54378 -19.8157 9.51965 -20.6846 TIMING: 2242400 CPU: 7086.29, 0.00313412/step Wall: 7086.29, 0.00313412/step, 2.40074 hours remaining, 234.023438 MB of memory in use. ENERGY: 2242400 3944.9653 20381.3625 14506.3120 252.1245 -203546.4367 2820.6244 0.0000 0.0000 52180.5688 -109460.4792 299.8824 -161641.0480 -109086.5053 298.7068 -165.6531 -138.2559 762772.2455 -23.0647 -22.9854 PRESSURE: 2242600 -466.307 -36.3523 112.312 -36.3514 -34.8502 -3.33868 112.312 -3.33915 -116.685 GPRESSURE: 2242600 -439.834 1.60218 75.8664 -25.7762 -14.3239 -54.1428 109.729 -41.3339 -84.1058 PRESSAVG: 2242600 -44.8915 -25.8039 5.70826 -25.8039 36.173 -11.0803 5.70828 -11.0803 -9.65038 GPRESSAVG: 2242600 -45.6711 -26.6476 4.22909 -27.1002 38.2931 -8.91259 4.32167 -10.6725 -10.7796 TIMING: 2242600 CPU: 7086.92, 0.00313051/step Wall: 7086.92, 0.00313051/step, 2.3978 hours remaining, 234.023438 MB of memory in use. ENERGY: 2242600 4001.0553 20656.3720 14536.7186 242.6727 -202974.5342 2429.0447 0.0000 0.0000 51728.8423 -109379.8285 297.2864 -161108.6708 -109018.0930 299.0288 -205.9473 -179.4212 762498.2058 -6.1230 -6.0525 PRESSURE: 2242800 377.837 -33.1505 191.721 -33.1505 -57.5621 -164.492 191.722 -164.492 -67.7471 GPRESSURE: 2242800 389.799 -48.3445 148.442 -75.7894 -31.5319 -197.892 264.073 -242.924 -7.2041 PRESSAVG: 2242800 16.9165 -20.2827 -42.2111 -20.2827 13.6207 -0.313296 -42.2111 -0.313233 15.636 GPRESSAVG: 2242800 17.3304 -20.2323 -41.9108 -19.2767 12.7681 0.347313 -42.139 -0.670386 16.3618 TIMING: 2242800 CPU: 7087.55, 0.00315595/step Wall: 7087.55, 0.00315595/step, 2.41711 hours remaining, 234.023438 MB of memory in use. ENERGY: 2242800 3914.5358 20474.4747 14532.3731 246.3204 -203449.9286 2644.7034 0.0000 0.0000 51996.5919 -109640.9293 298.8251 -161637.5213 -109277.6141 298.7765 84.1761 117.0211 759910.9143 15.3911 15.4867 PRESSURE: 2243000 54.4663 -96.8819 -122.062 -96.8814 227.597 120.002 -122.062 120.001 -27.1674 GPRESSURE: 2243000 130.926 -32.5028 -128.706 -246.74 192.625 90.8747 -195.996 155.342 22.2441 PRESSAVG: 2243000 -3.76465 -82.0507 -35.0597 -82.0506 -29.8168 11.3287 -35.0596 11.3286 10.1458 GPRESSAVG: 2243000 -3.76231 -83.1879 -34.7387 -82.8664 -30.1288 10.8182 -33.5289 12.9432 10.4771 TIMING: 2243000 CPU: 7088.18, 0.00313608/step Wall: 7088.18, 0.00313608/step, 2.40171 hours remaining, 234.023438 MB of memory in use. ENERGY: 2243000 4006.9186 20386.6674 14562.1270 254.7848 -203103.3363 2655.0841 0.0000 0.0000 52265.0451 -108972.7093 300.3679 -161237.7544 -108610.0821 299.1398 84.9652 115.2651 761225.1889 -7.8119 -7.8046 PRESSURE: 2243200 -237.734 149.195 -157.472 149.195 330.451 200.172 -157.473 200.171 69.3666 GPRESSURE: 2243200 -79.8133 97.955 -90.906 118.405 279.632 177.777 -54.997 266.775 56.3562 PRESSAVG: 2243200 14.22 -44.5036 -54.5036 -44.5037 59.4981 4.53975 -54.5035 4.53978 -5.06888 GPRESSAVG: 2243200 14.9316 -42.2151 -56.2607 -44.4277 58.8929 4.0992 -55.4622 3.89711 -5.04052 TIMING: 2243200 CPU: 7088.8, 0.00313926/step Wall: 7088.8, 0.00313926/step, 2.40398 hours remaining, 234.023438 MB of memory in use. ENERGY: 2243200 3924.6631 20551.4604 14508.6394 259.9835 -203739.4352 2983.0875 0.0000 0.0000 52286.5832 -109225.0182 300.4917 -161511.6013 -108859.5406 299.8930 54.0278 85.3915 759827.3477 22.8831 22.9280 PRESSURE: 2243400 -234.179 -154.255 62.0156 -154.255 182.636 -61.2988 62.0154 -61.2995 280.876 GPRESSURE: 2243400 -212.044 -58.885 51.4696 -200.862 189.444 -26.8025 126.077 -102.75 332.322 PRESSAVG: 2243400 -32.9188 -22.3369 -16.1357 -22.3368 44.8921 5.2041 -16.1357 5.2041 1.22463 GPRESSAVG: 2243400 -32.4555 -21.7507 -16.4555 -24.5434 46.0756 6.19564 -16.6801 3.8092 -0.0021826 TIMING: 2243400 CPU: 7089.43, 0.00313042/step Wall: 7089.43, 0.00313042/step, 2.39704 hours remaining, 234.023438 MB of memory in use. ENERGY: 2243400 3901.6315 20660.2479 14536.2557 237.1851 -203185.2058 2533.6226 0.0000 0.0000 52259.8575 -109056.4055 300.3381 -161316.2630 -108696.8972 299.8010 76.4444 103.2403 761181.3494 4.3993 4.5393 PRESSURE: 2243600 -309.478 147.996 -12.7748 147.996 50.6372 -142.707 -12.7761 -142.707 65.5604 GPRESSURE: 2243600 -247.257 91.3572 45.4531 148.012 105.978 -118.701 90.0592 -117.51 37.8545 PRESSAVG: 2243600 5.86867 -7.4214 -13.8065 -7.42141 20.6278 -80.4955 -13.8065 -80.4954 -11.7885 GPRESSAVG: 2243600 5.68885 -11.1769 -11.713 -4.40993 20.3652 -80.8992 -11.801 -80.4127 -11.1249 TIMING: 2243600 CPU: 7090.06, 0.00315245/step Wall: 7090.06, 0.00315245/step, 2.41373 hours remaining, 234.023438 MB of memory in use. ENERGY: 2243600 3976.1755 20531.2189 14512.5669 235.8640 -202944.4000 2573.6065 0.0000 0.0000 52098.1720 -109016.7963 299.4089 -161114.9683 -108661.1630 299.7662 -64.4269 -34.4751 762335.5953 4.9027 4.9764 PRESSURE: 2243800 -125.718 160.955 252.447 160.955 -91.768 33.7149 252.446 33.7152 -143.543 GPRESSURE: 2243800 -198.054 251.824 264.552 132.861 -38.583 4.59622 203.929 15.6823 -49.3816 PRESSAVG: 2243800 -58.1069 -31.0104 17.4211 -31.0105 23.0925 -40.9546 17.421 -40.9547 7.86788 GPRESSAVG: 2243800 -59.0834 -28.244 15.4166 -31.7589 23.8033 -41.8378 17.1671 -41.2894 8.20559 TIMING: 2243800 CPU: 7090.69, 0.00316054/step Wall: 7090.69, 0.00316054/step, 2.41975 hours remaining, 234.023438 MB of memory in use. ENERGY: 2243800 4023.8288 20481.4999 14538.7797 246.2776 -203038.5029 2620.4239 0.0000 0.0000 52128.5688 -108999.1242 299.5836 -161127.6930 -108630.5814 300.0087 -120.3429 -95.3397 761325.0783 -9.0488 -9.0249 PRESSURE: 2244000 185.974 -63.9473 -221.775 -63.9477 331.869 -61.3028 -221.775 -61.3035 29.6549 GPRESSURE: 2244000 234.043 -54.1274 -215.744 -111.117 275.397 -91.0357 -171.442 -26.7222 108.528 PRESSAVG: 2244000 -22.6934 -6.80905 36.857 -6.80902 17.4866 11.8602 36.857 11.8601 22.1318 GPRESSAVG: 2244000 -21.5984 -7.5949 38.2983 -8.54408 16.5783 12.7104 35.3658 14.1111 22.4585 TIMING: 2244000 CPU: 7091.32, 0.0031336/step Wall: 7091.32, 0.0031336/step, 2.39894 hours remaining, 234.023438 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: 2244000 3953.5978 20692.9225 14424.2975 230.5448 -203158.6697 2669.8657 0.0000 0.0000 52234.6020 -108952.8394 300.1930 -161187.4414 -108593.1519 299.7948 182.4993 205.9891 761782.7869 5.6417 5.8128 PRESSURE: 2244200 -44.6155 -132.263 242.13 -132.264 -143.509 197.578 242.13 197.578 81.8846 GPRESSURE: 2244200 21.2117 -55.592 182.655 -131.724 -158.09 208.895 97.4934 135.951 103.619 PRESSAVG: 2244200 -67.8546 -29.4739 -0.138358 -29.4739 61.6348 28.4022 -0.138377 28.4022 11.5328 GPRESSAVG: 2244200 -67.9248 -30.364 -0.423302 -27.6997 62.932 27.5967 0.411817 25.2957 10.2204 TIMING: 2244200 CPU: 7091.95, 0.00314051/step Wall: 7091.95, 0.00314051/step, 2.40406 hours remaining, 234.023438 MB of memory in use. ENERGY: 2244200 3980.9769 20429.8031 14540.1131 241.8430 -203144.6036 2883.8993 0.0000 0.0000 52217.1408 -108850.8274 300.0926 -161067.9682 -108488.8085 299.6301 -35.4134 -11.0864 762088.7781 1.7710 1.7426 LDB: ============= START OF LOAD BALANCING ============== 7104.48 LDB: ============== END OF LOAD BALANCING =============== 7104.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7104.48 LDB: ============= START OF LOAD BALANCING ============== 7104.79 LDB: Largest compute 7037 load 0.030955 is 15.8% of average load 0.195525 LDB: Average compute 0.004397 is 2.2% of average load 0.195525 LDB: TIME 7104.8 LOAD: AVG 0.195525 MAX 0.214694 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.566 MB LDB: TIME 7104.8 LOAD: AVG 0.195525 MAX 0.214694 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.68 MB LDB: TIME 7104.8 LOAD: AVG 0.195525 MAX 0.214694 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.68 MB LDB: ============== END OF LOAD BALANCING =============== 7104.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 7104.81 Info: useSync: 0 useProxySync: 0 PRESSURE: 2244400 104.51 -317.418 92.8746 -317.419 -98.4279 -31.9705 92.8749 -31.9703 -121.302 GPRESSURE: 2244400 149.773 -255.03 156.525 -288.231 -107.195 -7.94149 31.0794 -34.2002 -74.0433 PRESSAVG: 2244400 52.0802 -105.406 26.8569 -105.406 -32.6797 -21.4299 26.8569 -21.4299 -9.21945 GPRESSAVG: 2244400 52.1722 -105.851 27.1554 -105.79 -34.157 -21.9798 26.5009 -20.014 -7.5098 TIMING: 2244400 CPU: 7092.59, 0.00321567/step Wall: 7092.59, 0.00321567/step, 2.46142 hours remaining, 237.371094 MB of memory in use. ENERGY: 2244400 3948.9401 20622.3643 14503.0365 263.4867 -203073.0054 2752.0973 0.0000 0.0000 52017.3450 -108965.7356 298.9444 -160983.0806 -108598.5016 300.0141 -38.4067 -10.4885 763987.4435 3.3937 3.5018 PRESSURE: 2244600 -24.107 -50.018 -147.421 -50.0194 -569.372 -37.0583 -147.42 -37.0587 -193.733 GPRESSURE: 2244600 27.5426 -117.285 -35.8265 19.6069 -535.853 -116.379 -145.245 6.64428 -190.241 PRESSAVG: 2244600 13.2695 -49.3751 21.9358 -49.3752 27.9072 -12.5777 21.9359 -12.5777 10.3088 GPRESSAVG: 2244600 13.5175 -48.845 23.0788 -48.1526 29.5659 -12.6483 20.6097 -13.7846 8.13699 TIMING: 2244600 CPU: 7093.22, 0.00314329/step Wall: 7093.22, 0.00314329/step, 2.40584 hours remaining, 237.441406 MB of memory in use. ENERGY: 2244600 4057.2427 20597.0458 14504.3947 267.3813 -203207.0440 2531.7878 0.0000 0.0000 52120.0955 -109129.0961 299.5349 -161249.1916 -108780.9397 299.7500 -262.4041 -232.8505 763289.9798 17.1619 17.0734 PRESSURE: 2244800 -66.0119 -40.8273 -208.475 -40.8275 -305.875 207.707 -208.473 207.707 -138.821 GPRESSURE: 2244800 -111.742 -163.836 -76.9932 -16.1741 -243.406 146.534 -128.946 198.891 -86.6186 PRESSAVG: 2244800 15.9367 -14.6711 15.5407 -14.6712 -29.5875 -36.297 15.5407 -36.297 19.6766 GPRESSAVG: 2244800 16.4736 -14.9231 14.8944 -14.9019 -31.5201 -35.2138 17.2837 -35.0362 21.3366 TIMING: 2244800 CPU: 7093.85, 0.00314331/step Wall: 7093.85, 0.00314331/step, 2.40568 hours remaining, 237.441406 MB of memory in use. ENERGY: 2244800 4013.0598 20634.3085 14570.6115 252.2990 -203358.8809 2561.2177 0.0000 0.0000 52067.1412 -109260.2432 299.2306 -161327.3844 -108913.7527 299.5703 -170.2359 -147.2558 762043.3171 2.0086 2.0967 PRESSURE: 2245000 -4.47343 150.126 -121.626 150.126 -280.495 124.243 -121.626 124.243 128.609 GPRESSURE: 2245000 57.1626 194.218 -134.715 50.0224 -253.639 170.308 -63.3062 33.7301 114.558 PRESSAVG: 2245000 55.9009 -11.1075 10.3484 -11.1075 -28.2926 -27.9428 10.3483 -27.9427 3.05581 GPRESSAVG: 2245000 54.8528 -9.53039 9.10883 -13.2683 -27.3303 -28.1308 10.2362 -29.8764 2.6062 TIMING: 2245000 CPU: 7094.47, 0.00313913/step Wall: 7094.47, 0.00313913/step, 2.40231 hours remaining, 237.441406 MB of memory in use. ENERGY: 2245000 4002.4338 20598.1396 14449.3805 241.1013 -203050.1522 2449.4187 0.0000 0.0000 52131.4245 -109178.2537 299.6000 -161309.6782 -108815.9869 299.4370 -52.1199 -27.3062 762149.5415 10.2214 10.0429 PRESSURE: 2245200 -377.787 57.0105 157.506 57.0108 -145.977 121.983 157.507 121.984 -458.511 GPRESSURE: 2245200 -351.847 -5.09636 224.452 93.8459 -180.95 167.546 154.611 69.8085 -370.839 PRESSAVG: 2245200 -9.80746 -13.3538 -7.74207 -13.3538 -8.78905 -13.9831 -7.74199 -13.9831 5.76996 GPRESSAVG: 2245200 -9.97929 -14.892 -7.00887 -12.248 -8.92355 -14.8806 -8.73611 -12.078 6.39119 TIMING: 2245200 CPU: 7095.1, 0.00314247/step Wall: 7095.1, 0.00314247/step, 2.40469 hours remaining, 237.441406 MB of memory in use. ENERGY: 2245200 4004.0334 20631.4178 14495.6832 263.4450 -202985.5433 2412.6068 0.0000 0.0000 51932.5109 -109245.8462 298.4569 -161178.3571 -108886.1237 299.4304 -327.4251 -301.2120 762627.5192 -4.2755 -4.1705 PRESSURE: 2245400 138.456 -5.36807 2.13609 -5.36861 17.4496 -168.608 2.13587 -168.608 184.95 GPRESSURE: 2245400 105.977 90.7172 129.539 -57.3312 139.84 -225.056 78.7017 -232.744 187.324 PRESSAVG: 2245400 -57.7497 -36.5155 -14.0321 -36.5155 24.1806 -7.29217 -14.0321 -7.2921 9.78196 GPRESSAVG: 2245400 -57.4381 -32.8486 -12.4015 -36.5151 24.1359 -10.1718 -12.9126 -7.79714 9.22843 TIMING: 2245400 CPU: 7095.74, 0.00316506/step Wall: 7095.74, 0.00316506/step, 2.4218 hours remaining, 237.441406 MB of memory in use. ENERGY: 2245400 3933.7349 20500.0012 14483.6839 252.5846 -203387.1674 2906.0619 0.0000 0.0000 52267.8393 -109043.2616 300.3840 -161311.1009 -108684.2179 299.8378 113.6185 144.3802 761362.6047 -7.9290 -8.0246 PRESSURE: 2245600 105.421 -141.772 -54.644 -141.772 -255.352 -218.865 -54.644 -218.864 304.55 GPRESSURE: 2245600 101.832 -25.9759 -22.8096 -178.176 -209.929 -137.163 -137.031 -162.897 341.947 PRESSAVG: 2245600 -18.4486 -57.6588 31.9226 -57.6588 32.0039 7.12227 31.9226 7.12223 -1.31953 GPRESSAVG: 2245600 -18.7689 -60.3386 29.6088 -58.0148 31.569 10.1875 29.7929 8.88012 -0.551234 TIMING: 2245600 CPU: 7096.37, 0.00314884/step Wall: 7096.37, 0.00314884/step, 2.40921 hours remaining, 237.644531 MB of memory in use. ENERGY: 2245600 3937.1332 20729.8902 14406.8735 230.0696 -203535.4625 2860.6010 0.0000 0.0000 52115.4321 -109255.4628 299.5081 -161370.8949 -108888.4638 300.0516 51.5398 77.9503 761179.7878 4.0786 4.0830 PRESSURE: 2245800 414.533 -114.234 -248.629 -114.235 22.3234 -347.99 -248.629 -347.99 456.512 GPRESSURE: 2245800 446.545 -132.2 -256.105 -126.088 133.714 -264.698 -158.803 -209.729 399.869 PRESSAVG: 2245800 -10.7952 -26.0876 -45.4894 -26.0875 -21.8387 -33.3819 -45.4894 -33.382 6.52382 GPRESSAVG: 2245800 -11.6147 -26.3221 -43.6958 -27.0087 -21.3033 -33.469 -44.0408 -33.5051 6.78351 TIMING: 2245800 CPU: 7096.99, 0.00313942/step Wall: 7096.99, 0.00313942/step, 2.40183 hours remaining, 237.644531 MB of memory in use. ENERGY: 2245800 3995.0514 20301.2696 14518.1398 253.4343 -204101.9195 3175.3432 0.0000 0.0000 52251.5680 -109607.1133 300.2905 -161858.6813 -109241.3189 299.3412 297.7894 326.7095 760592.0150 -8.7034 -8.7115 PRESSURE: 2246000 188.661 -105.378 -120.039 -105.378 -174.648 96.6206 -120.04 96.6202 -158.923 GPRESSURE: 2246000 147.376 -76.9211 -195.908 -151.104 -82.6418 128.862 -58.3701 64.4777 -139.147 PRESSAVG: 2246000 11.7229 -23.4746 6.55059 -23.4745 -14.5024 -29.2858 6.55059 -29.2857 -14.9723 GPRESSAVG: 2246000 13.0681 -23.8156 5.15403 -24.9143 -15.9466 -27.1244 6.50046 -30.8631 -15.0049 TIMING: 2246000 CPU: 7097.62, 0.00314602/step Wall: 7097.62, 0.00314602/step, 2.40671 hours remaining, 237.644531 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: 2246000 3996.4889 20644.8590 14448.8167 247.6974 -203509.6421 2822.4846 0.0000 0.0000 51905.1110 -109444.1845 298.2994 -161349.2954 -109085.3627 299.0363 -48.3032 -24.8044 762974.1386 -5.9173 -5.9612 PRESSURE: 2246200 69.1168 4.09406 247.434 4.09393 -112.64 -59.5954 247.434 -59.5964 271.598 GPRESSURE: 2246200 50.2046 126.737 286.394 31.8219 -84.746 -141.44 171.568 -59.0137 343.069 PRESSAVG: 2246200 3.80348 -26.9182 0.582595 -26.9182 34.0978 -0.222327 0.582523 -0.222277 14.0118 GPRESSAVG: 2246200 3.05494 -26.3749 -0.0408191 -24.6009 34.6144 -1.95616 0.135978 -0.230919 14.0045 TIMING: 2246200 CPU: 7098.25, 0.0031236/step Wall: 7098.25, 0.00312359/step, 2.38938 hours remaining, 237.644531 MB of memory in use. ENERGY: 2246200 4061.5459 20518.5847 14536.5993 269.3367 -203768.1775 2752.9592 0.0000 0.0000 52256.6381 -109372.5135 300.3196 -161629.1517 -109015.5348 299.7453 76.0251 102.8426 761588.8471 17.3044 17.2246 PRESSURE: 2246400 153.743 -184.386 60.789 -184.386 485.751 88.0976 60.7891 88.0973 507.791 GPRESSURE: 2246400 239.962 -135.852 165.681 -268.544 457.855 32.7205 13.9538 215.03 521.605 PRESSAVG: 2246400 -50.595 -64.9193 57.2937 -64.9193 23.0958 -16.8582 57.2936 -16.8581 -14.636 GPRESSAVG: 2246400 -50.4057 -63.2715 58.7448 -64.4849 23.7304 -17.169 55.9628 -14.3008 -15.4783 TIMING: 2246400 CPU: 7098.88, 0.00315454/step Wall: 7098.88, 0.00315454/step, 2.41287 hours remaining, 237.644531 MB of memory in use. ENERGY: 2246400 4039.5645 20513.7677 14519.1559 250.8118 -203850.7917 2919.0406 0.0000 0.0000 52230.9680 -109377.4832 300.1721 -161608.4512 -109012.9368 299.8669 382.4282 406.4742 760475.4138 -14.0450 -14.0512 PRESSURE: 2246600 -299.673 -166.984 -143.031 -166.984 -197.839 160.643 -143.031 160.642 143.277 GPRESSURE: 2246600 -327.783 -245.911 -224.3 -39.8648 -99.5168 195.386 -19.7687 175.406 149.992 PRESSAVG: 2246600 -2.0139 -99.6742 40.7669 -99.6742 1.51483 4.8869 40.7669 4.88681 -8.98895 GPRESSAVG: 2246600 -2.19171 -101.262 41.0432 -100.088 0.691379 3.41001 41.9926 5.30186 -7.74314 TIMING: 2246600 CPU: 7099.5, 0.00313024/step Wall: 7099.5, 0.00313024/step, 2.39411 hours remaining, 237.644531 MB of memory in use. ENERGY: 2246600 4015.3860 20633.8973 14457.0548 256.6380 -203271.6110 2476.0855 0.0000 0.0000 52069.7994 -109362.7501 299.2459 -161432.5495 -108997.5849 299.3385 -118.0783 -92.4361 761859.8557 -3.1627 -3.0812 PRESSURE: 2246800 -111.876 40.4193 -194.683 40.42 -134.185 122.541 -194.683 122.54 -84.7462 GPRESSURE: 2246800 5.29182 -8.0379 -143.843 -7.03429 -180.583 134.35 -121.268 77.5398 -50.8154 PRESSAVG: 2246800 37.6735 -74.1318 78.563 -74.1319 -27.2225 -8.1138 78.5631 -8.11382 7.92984 GPRESSAVG: 2246800 36.8916 -75.0076 77.0005 -72.5466 -25.1767 -6.95683 78.5917 -9.09062 6.6302 TIMING: 2246800 CPU: 7100.13, 0.00312674/step Wall: 7100.13, 0.00312674/step, 2.39126 hours remaining, 237.644531 MB of memory in use. ENERGY: 2246800 4019.6528 20447.0535 14530.1609 244.2175 -202894.6311 2408.8242 0.0000 0.0000 52091.3135 -109153.4086 299.3695 -161244.7221 -108783.4406 299.6229 -110.2690 -75.3689 761568.4427 6.1270 6.1151 PRESSURE: 2247000 -45.7117 -262.804 -185.556 -262.804 14.1844 68.7137 -185.557 68.7135 176.595 GPRESSURE: 2247000 -71.3604 -290.396 -182.992 -342.16 82.7468 42.1237 -69.2965 97.8878 230.149 PRESSAVG: 2247000 -23.0818 -73.8216 -29.3379 -73.8217 21.3265 1.49873 -29.338 1.49868 -5.8915 GPRESSAVG: 2247000 -22.8466 -72.8346 -28.5465 -76.7322 19.8341 1.18895 -29.1659 0.437572 -5.28952 TIMING: 2247000 CPU: 7100.76, 0.00313799/step Wall: 7100.76, 0.00313799/step, 2.39969 hours remaining, 237.644531 MB of memory in use. ENERGY: 2247000 4030.3562 20663.4565 14484.6510 245.9529 -203521.0874 2928.8848 0.0000 0.0000 52021.8450 -109145.9411 298.9703 -161167.7861 -108785.4452 299.6335 48.3558 80.5119 762449.9510 -2.5489 -2.7673 PRESSURE: 2247200 -185.574 50.3721 -11.2071 50.3723 158.413 157.947 -11.2066 157.947 109.036 GPRESSURE: 2247200 -139.665 141.418 -59.9987 12.108 185.18 140.435 -9.21075 80.7384 113.086 PRESSAVG: 2247200 5.06346 -44.9075 -39.7983 -44.9076 -1.5153 -39.5779 -39.7983 -39.5778 -21.3261 GPRESSAVG: 2247200 5.45008 -45.3528 -40.9496 -43.7027 -2.49773 -38.869 -38.3443 -39.8646 -20.8184 TIMING: 2247200 CPU: 7101.39, 0.00314987/step Wall: 7101.39, 0.00314987/step, 2.4086 hours remaining, 237.644531 MB of memory in use. ENERGY: 2247200 3967.4710 20591.3592 14520.4181 258.9430 -203405.4523 2762.5951 0.0000 0.0000 52283.4094 -109021.2567 300.4735 -161304.6660 -108661.8589 299.9696 27.2915 52.8671 761895.8427 -5.9260 -5.9554 PRESSURE: 2247400 -7.35301 40.1542 -35.616 40.1546 -348.431 -80.6663 -35.6159 -80.6661 295.217 GPRESSURE: 2247400 53.9247 57.386 -76.0778 9.26946 -320.536 -86.5464 -73.1586 -18.8608 286.467 PRESSAVG: 2247400 -35.7068 6.66689 -16.7946 6.66686 -9.36178 -27.9289 -16.7946 -27.9288 -9.46283 GPRESSAVG: 2247400 -36.8059 7.71426 -15.6625 7.7987 -7.68099 -27.1472 -18.5588 -26.7951 -10.2709 TIMING: 2247400 CPU: 7102.02, 0.00314206/step Wall: 7102.02, 0.00314206/step, 2.40246 hours remaining, 237.644531 MB of memory in use. ENERGY: 2247400 3970.0743 20663.8201 14544.9101 264.0176 -202999.7658 2500.1503 0.0000 0.0000 52203.7013 -108853.0921 300.0154 -161056.7934 -108496.9706 300.3513 -20.1890 6.6187 762829.2741 -18.1771 -18.2526 PRESSURE: 2247600 -117.344 -183.045 42.691 -183.045 -116.001 -154.741 42.6913 -154.742 62.6415 GPRESSURE: 2247600 -41.0052 -155.644 110.606 -174.423 -121.436 -73.0853 -73.0242 -76.3157 77.5806 PRESSAVG: 2247600 21.6638 58.338 -4.90623 58.3379 -37.7201 -18.0379 -4.90629 -18.0379 -0.269606 GPRESSAVG: 2247600 21.9134 56.3454 -5.14922 56.8656 -39.3192 -19.6944 -5.37884 -17.2336 1.19484 TIMING: 2247600 CPU: 7102.65, 0.0031457/step Wall: 7102.65, 0.0031457/step, 2.40506 hours remaining, 237.644531 MB of memory in use. ENERGY: 2247600 4030.1137 20444.4139 14555.0553 243.5826 -202936.7703 2510.9586 0.0000 0.0000 52058.5127 -109094.1336 299.1810 -161152.6463 -108724.6499 299.8990 -56.9010 -28.2868 761336.3140 -5.4420 -5.4036 PRESSURE: 2247800 77.5145 32.5607 125.306 32.5602 263.026 270.452 125.307 270.451 5.52313 GPRESSURE: 2247800 134.953 19.5645 142.319 39.7515 291.671 344.723 149.136 334.632 12.6921 PRESSAVG: 2247800 0.248554 -62.621 9.1848 -62.621 27.6409 4.17366 9.1848 4.1737 -14.242 GPRESSAVG: 2247800 1.33611 -61.094 8.97813 -62.6868 28.0134 5.08502 10.6015 2.21233 -15.1138 TIMING: 2247800 CPU: 7103.27, 0.00312378/step Wall: 7103.27, 0.00312378/step, 2.38813 hours remaining, 237.644531 MB of memory in use. ENERGY: 2247800 4022.1178 20479.8723 14535.0306 260.5675 -203281.6036 2366.6248 0.0000 0.0000 52104.2934 -109513.0972 299.4441 -161617.3907 -109151.0639 299.6645 115.3544 146.4389 761725.8471 4.5492 4.7452 PRESSURE: 2248000 50.1975 -94.7737 238.883 -94.7726 -138.321 -28.8743 238.883 -28.8735 336.524 GPRESSURE: 2248000 89.5217 -138.754 176.286 35.1442 -13.3014 2.63213 110.959 -62.9753 256.153 PRESSAVG: 2248000 29.048 -59.6235 -10.7702 -59.6236 9.90003 27.498 -10.7703 27.498 35.2972 GPRESSAVG: 2248000 28.9654 -60.9367 -10.6218 -59.3137 10.0338 27.2567 -11.5513 26.7148 34.9345 TIMING: 2248000 CPU: 7103.9, 0.00313563/step Wall: 7103.9, 0.00313563/step, 2.39701 hours remaining, 237.742188 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: 2248000 4040.8824 20661.4945 14535.4783 235.7354 -203262.2575 2545.6676 0.0000 0.0000 52049.4874 -109193.5120 299.1291 -161242.9993 -108825.7262 299.2942 82.8002 110.7910 761080.6446 24.7484 24.6446 PRESSURE: 2248200 334.212 13.4797 3.18428 13.4803 24.6134 -167.975 3.18383 -167.975 281.851 GPRESSURE: 2248200 287.915 9.63986 -9.04132 -52.0949 113.382 -83.991 -93.1468 -248.151 330.791 PRESSAVG: 2248200 36.4986 -18.5666 14.8359 -18.5666 -42.0464 -21.8029 14.8358 -21.8028 -8.57289 GPRESSAVG: 2248200 34.7845 -18.7757 15.0816 -17.7846 -40.5489 -21.6236 12.6517 -20.5521 -8.08835 TIMING: 2248200 CPU: 7104.52, 0.00312724/step Wall: 7104.52, 0.00312724/step, 2.39043 hours remaining, 237.742188 MB of memory in use. ENERGY: 2248200 3957.2851 20680.7923 14565.1138 249.4590 -203583.1756 2898.6627 0.0000 0.0000 51983.0118 -109248.8509 298.7471 -161231.8627 -108889.2916 299.5146 213.5587 244.0292 760276.5585 -4.7069 -4.6176 LDB: ============= START OF LOAD BALANCING ============== 7117.05 LDB: ============== END OF LOAD BALANCING =============== 7117.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7117.05 LDB: ============= START OF LOAD BALANCING ============== 7117.37 LDB: Largest compute 7037 load 0.031705 is 16.2% of average load 0.195433 LDB: Average compute 0.004400 is 2.3% of average load 0.195433 LDB: TIME 7117.37 LOAD: AVG 0.195433 MAX 0.215655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 7117.37 LOAD: AVG 0.195433 MAX 0.215655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 7117.37 LOAD: AVG 0.195433 MAX 0.215655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 7117.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7117.38 PRESSURE: 2248400 -136.35 142.389 -105.613 142.389 122.97 14.6321 -105.613 14.6312 702.368 GPRESSURE: 2248400 -84.7275 74.7867 -89.3094 76.8109 133.399 8.98476 18.7823 -22.6226 713.485 PRESSAVG: 2248400 30.9378 -21.7296 -22.6898 -21.7296 -15.1485 5.04601 -22.6898 5.04595 26.0511 GPRESSAVG: 2248400 32.0703 -20.6281 -22.5013 -24.284 -16.096 5.74062 -20.3795 5.92067 26.0526 TIMING: 2248400 CPU: 7105.16, 0.00320269/step Wall: 7105.16, 0.00320269/step, 2.44792 hours remaining, 234.882812 MB of memory in use. ENERGY: 2248400 3932.8015 20439.0577 14458.8838 277.3765 -203431.9515 2875.0745 0.0000 0.0000 52243.5712 -109205.1864 300.2445 -161448.7576 -108841.6864 299.2463 229.6628 254.0523 760624.0660 13.9468 14.0090 PRESSURE: 2248600 -17.6773 -136.926 -139.545 -136.927 154.995 50.7495 -139.545 50.7489 85.1355 GPRESSURE: 2248600 70.0564 -146.646 -160.227 -90.4348 129.644 25.922 -86.8738 170.588 102.923 PRESSAVG: 2248600 -30.2292 -21.1277 -59.773 -21.1277 -19.7317 -31.3466 -59.773 -31.3466 -7.04259 GPRESSAVG: 2248600 -29.6143 -18.9194 -59.9109 -21.3738 -19.5202 -31.6982 -58.061 -31.606 -8.07854 TIMING: 2248600 CPU: 7105.79, 0.00315652/step Wall: 7105.79, 0.00315652/step, 2.41246 hours remaining, 234.882812 MB of memory in use. ENERGY: 2248600 3963.2390 20507.6477 14442.3210 235.0781 -203107.7514 2513.7554 0.0000 0.0000 52165.9046 -109279.8056 299.7982 -161445.7102 -108922.3116 299.5013 74.1511 100.8747 762279.6692 -19.0012 -19.0710 PRESSURE: 2248800 -214.074 103.253 88.285 103.252 66.2359 10.248 88.2846 10.2485 317.059 GPRESSURE: 2248800 -101.027 118.303 148.416 119.464 67.8116 -2.71369 85.1796 -0.374776 272.577 PRESSAVG: 2248800 36.4644 -49.1952 18.1862 -49.1953 3.56922 3.55869 18.1862 3.55869 18.3822 GPRESSAVG: 2248800 35.6114 -48.6015 16.1513 -46.9802 2.6444 3.47884 16.9582 2.90132 20.3636 TIMING: 2248800 CPU: 7106.42, 0.00313543/step Wall: 7106.42, 0.00313543/step, 2.39616 hours remaining, 234.882812 MB of memory in use. ENERGY: 2248800 3970.6475 20619.7258 14469.5310 234.1628 -203507.4599 2776.4438 0.0000 0.0000 52092.0315 -109344.9175 299.3736 -161436.9490 -108976.3514 299.7682 56.4068 79.7872 761673.7803 19.4719 19.5398 PRESSURE: 2249000 246.069 160.451 2.43587 160.451 282.357 222.07 2.43631 222.071 508.253 GPRESSURE: 2249000 191.486 94.0519 -35.8117 162.463 430.709 233.692 4.51482 206.966 497.452 PRESSAVG: 2249000 -29.685 17.4939 -20.4285 17.4939 -17.6154 49.1869 -20.4285 49.187 15.8725 GPRESSAVG: 2249000 -29.8356 15.8383 -19.2088 17.5395 -16.1576 48.6916 -20.8546 51.3386 14.3693 TIMING: 2249000 CPU: 7107.05, 0.00313532/step Wall: 7107.05, 0.00313532/step, 2.3959 hours remaining, 234.882812 MB of memory in use. ENERGY: 2249000 3954.3363 20507.9149 14453.9634 250.8491 -203677.7543 2991.9350 0.0000 0.0000 52248.2336 -109270.5221 300.2713 -161518.7557 -108891.9956 299.6640 345.5595 373.2154 761182.6111 -10.4760 -10.5413 PRESSURE: 2249200 -121.282 -6.86924 -141.925 -6.86854 -171.612 -17.6361 -141.925 -17.6367 204.262 GPRESSURE: 2249200 -68.6192 -18.9011 -147.336 34.916 -210.838 9.17152 -32.7446 -34.2748 261.438 PRESSAVG: 2249200 -54.3748 -3.93567 -28.4075 -3.93566 -28.3101 31.7034 -28.4075 31.7034 0.00517659 GPRESSAVG: 2249200 -55.323 -5.48838 -27.3802 -3.78937 -29.009 32.6885 -27.6734 30.2742 1.12721 TIMING: 2249200 CPU: 7107.68, 0.00313474/step Wall: 7107.68, 0.00313474/step, 2.39529 hours remaining, 234.882812 MB of memory in use. ENERGY: 2249200 3912.6808 20576.0726 14461.4226 226.0033 -203124.3303 2824.2800 0.0000 0.0000 51618.8815 -109504.9894 296.6544 -161123.8709 -109140.2075 298.7542 -29.5440 -6.0064 763493.1521 -27.5599 -27.7349 PRESSURE: 2249400 -130.429 -76.3598 -28.3297 -76.3591 -182.116 -74.1518 -28.33 -74.1521 122.715 GPRESSURE: 2249400 -159.716 -130.145 -191.574 -41.7177 -56.9085 -180.191 -5.5265 134.183 139.692 PRESSAVG: 2249400 -42.6635 -11.1622 22.103 -11.1621 22.3001 38.8532 22.103 38.8532 5.29148 GPRESSAVG: 2249400 -41.9605 -10.2817 21.4284 -11.5191 22.1774 38.255 21.8098 39.7431 5.37951 TIMING: 2249400 CPU: 7108.3, 0.00313673/step Wall: 7108.3, 0.00313673/step, 2.39664 hours remaining, 234.882812 MB of memory in use. ENERGY: 2249400 4104.5814 20376.1545 14531.5638 240.3912 -203625.2826 3008.1622 0.0000 0.0000 51879.9365 -109484.4930 298.1547 -161364.4295 -109137.9041 298.6549 -63.2770 -25.6439 762106.1849 -5.0240 -4.8012 PRESSURE: 2249600 -78.4126 93.8626 -6.51213 93.8629 191.217 -314.034 -6.5125 -314.035 -282.747 GPRESSURE: 2249600 -26.4095 168.089 25.9215 23.6692 193.431 -291.192 31.106 -323.469 -229.983 PRESSAVG: 2249600 -63.2071 3.97598 -45.9302 3.97601 67.5302 -41.8349 -45.9303 -41.835 5.06117 GPRESSAVG: 2249600 -62.9099 2.40324 -46.0987 5.75099 68.5605 -41.9715 -46.335 -42.2768 3.74977 TIMING: 2249600 CPU: 7108.93, 0.00314385/step Wall: 7108.93, 0.00314385/step, 2.4019 hours remaining, 234.882812 MB of memory in use. ENERGY: 2249600 4078.0011 20384.8239 14461.3252 249.8957 -202927.0024 2559.9158 0.0000 0.0000 51883.9705 -109309.0700 298.1779 -161193.0406 -108951.8445 298.8952 -56.6477 -20.9870 764206.3030 3.1281 3.1335 PRESSURE: 2249800 -54.7848 61.3476 85.959 61.3476 71.1402 198.823 85.9583 198.823 -264.721 GPRESSURE: 2249800 -59.9515 -38.9386 -0.875231 22.4511 135.495 170.297 225.801 236.386 -233.464 PRESSAVG: 2249800 -54.5639 -9.84191 -13.3337 -9.84189 77.3689 -65.7307 -13.3337 -65.7308 -12.8146 GPRESSAVG: 2249800 -55.1355 -7.73508 -13.7963 -12.7091 77.7161 -66.234 -13.9649 -65.7808 -11.9492 TIMING: 2249800 CPU: 7109.56, 0.00314267/step Wall: 7109.56, 0.00314267/step, 2.40083 hours remaining, 234.882812 MB of memory in use. ENERGY: 2249800 4098.0757 20647.1762 14504.2281 237.0173 -203188.3236 2592.3458 0.0000 0.0000 51939.4888 -109169.9917 298.4970 -161109.4805 -108815.6511 299.3245 -82.7886 -52.6402 762986.4767 3.3302 3.5438 PRESSURE: 2250000 -115.215 -136.652 176.494 -136.652 56.6317 -11.683 176.494 -11.6822 -168.691 GPRESSURE: 2250000 -68.5276 -11.2951 202.347 -123.696 44.123 -27.6924 125.227 -10.1918 -118.878 PRESSAVG: 2250000 -4.30745 10.9949 18.7167 10.9948 -0.0690021 -7.35036 18.7167 -7.35035 13.8646 GPRESSAVG: 2250000 -2.25449 10.0084 18.7723 13.4545 -1.48162 -8.05594 19.5888 -4.55153 12.5581 TIMING: 2250000 CPU: 7110.19, 0.00314948/step Wall: 7110.19, 0.00314948/step, 2.40586 hours remaining, 234.882812 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: 2250000 4017.0503 20554.6908 14521.8615 237.0984 -203087.4676 2454.7679 0.0000 0.0000 52119.6543 -109182.3444 299.5324 -161301.9986 -108826.7064 299.7296 -75.7580 -47.7608 763491.2032 3.1627 2.9407 PRESSURE: 2250200 -148.643 -160.35 146.068 -160.351 -277.279 -97.135 146.068 -97.1345 40.9974 GPRESSURE: 2250200 -69.4289 -208.717 141.975 -96.7325 -240.499 -132.244 258.871 -44.9136 4.60219 PRESSAVG: 2250200 -14.5114 -27.1879 -21.1442 -27.1878 5.27545 -18.3134 -21.1442 -18.3134 -5.86934 GPRESSAVG: 2250200 -14.2151 -28.7762 -21.0592 -28.0977 5.3332 -17.7268 -21.287 -20.8485 -6.52712 TIMING: 2250200 CPU: 7110.82, 0.00314609/step Wall: 7110.82, 0.00314609/step, 2.40309 hours remaining, 234.882812 MB of memory in use. ENERGY: 2250200 4082.9578 20428.1894 14503.7184 240.6283 -203539.4932 2792.8313 0.0000 0.0000 52073.5435 -109417.6245 299.2674 -161491.1680 -109053.3146 299.2040 -128.3083 -101.7753 762996.2394 -5.0351 -5.1363 PRESSURE: 2250400 -128.21 117.778 -289.403 117.777 -221.009 -253.892 -289.404 -253.893 96.275 GPRESSURE: 2250400 -104.275 147.202 -251.826 125.551 -210.295 -189.084 -247.536 -201.23 138.525 PRESSAVG: 2250400 16.0593 -34.2566 27.5209 -34.2567 -33.6995 -28.3837 27.5208 -28.3839 2.86915 GPRESSAVG: 2250400 15.3014 -30.4263 28.4399 -35.0968 -32.888 -27.5861 26.6297 -28.3769 3.11702 TIMING: 2250400 CPU: 7111.45, 0.00314938/step Wall: 7111.45, 0.00314938/step, 2.40542 hours remaining, 234.882812 MB of memory in use. ENERGY: 2250400 4007.4769 20179.8592 14558.7968 244.9987 -203585.3333 2817.8463 0.0000 0.0000 52100.3469 -109676.0084 299.4214 -161776.3553 -109304.6310 299.0244 -84.3145 -58.6820 761189.3933 -4.9237 -4.8232 PRESSURE: 2250600 -133.262 78.367 27.1165 78.3674 119.503 81.4993 27.1169 81.4997 333.137 GPRESSURE: 2250600 -44.847 58.8803 -47.2939 122.215 140.616 15.3427 179.365 92.4654 303.265 PRESSAVG: 2250600 -1.16803 -22.5528 12.2928 -22.5528 -12.5288 -77.1752 12.2928 -77.1752 1.65311 GPRESSAVG: 2250600 -0.956726 -22.0865 10.8408 -20.4741 -12.8685 -76.6942 11.7571 -77.6941 1.51006 TIMING: 2250600 CPU: 7112.08, 0.00315058/step Wall: 7112.08, 0.00315058/step, 2.40617 hours remaining, 234.882812 MB of memory in use. ENERGY: 2250600 3988.7191 20534.5518 14474.7373 254.1482 -203736.0045 2842.9348 0.0000 0.0000 51956.1240 -109684.7893 298.5926 -161640.9133 -109320.1485 298.1960 106.4592 133.0112 761492.9084 -4.0146 -4.1050 PRESSURE: 2250800 116.813 154.883 68.7922 154.881 430.931 75.6375 68.7928 75.6368 245.173 GPRESSURE: 2250800 114.958 27.9718 13.938 26.0389 482.423 100.044 33.7631 88.2575 272.055 PRESSAVG: 2250800 -12.3229 -35.3252 32.9889 -35.3252 36.2744 8.75601 32.9889 8.75603 2.95736 GPRESSAVG: 2250800 -13.6534 -38.7052 32.5249 -35.4476 36.6063 6.96058 34.9865 8.12974 3.80717 TIMING: 2250800 CPU: 7112.71, 0.00312964/step Wall: 7112.71, 0.00312964/step, 2.39 hours remaining, 234.882812 MB of memory in use. ENERGY: 2250800 3967.4119 20418.0999 14527.4754 254.7411 -204133.1053 3215.3264 0.0000 0.0000 52109.8315 -109640.2191 299.4759 -161750.0506 -109274.7936 298.4654 264.3055 289.8118 758983.6931 8.9696 8.9200 PRESSURE: 2251000 121.461 224.507 258.535 224.507 -210.466 61.4978 258.535 61.4978 -137.992 GPRESSURE: 2251000 171.735 235.205 232.722 180.633 -209.553 70.3395 164.788 86.7175 -114.832 PRESSAVG: 2251000 -54.3488 -2.4896 -15.2142 -2.4896 83.8924 -28.4073 -15.2142 -28.4074 7.97428 GPRESSAVG: 2251000 -52.8523 -1.77466 -15.0456 -4.52908 83.6812 -29.1108 -18.9947 -27.9765 6.72041 TIMING: 2251000 CPU: 7113.33, 0.00312383/step Wall: 7113.33, 0.00312383/step, 2.38539 hours remaining, 234.882812 MB of memory in use. ENERGY: 2251000 3970.9180 20556.4074 14549.7550 238.0437 -203465.6645 2665.9583 0.0000 0.0000 51837.4596 -109647.1224 297.9106 -161484.5821 -109292.4843 298.6544 -75.6658 -50.8835 762745.9470 12.5060 12.5164 PRESSURE: 2251200 -64.8565 85.3061 -46.8192 85.3059 -149.634 -79.2181 -46.8196 -79.2179 -188.034 GPRESSURE: 2251200 -12.6483 270.215 -88.3059 45.6526 -223.354 -90.3842 -11.0338 -87.8952 -103.731 PRESSAVG: 2251200 15.675 -48.9958 -23.7271 -48.9958 -54.6665 -28.6775 -23.7272 -28.6774 5.20128 GPRESSAVG: 2251200 15.3403 -48.421 -24.0152 -48.7324 -55.4132 -28.294 -21.3376 -27.8581 6.3004 TIMING: 2251200 CPU: 7113.96, 0.00313592/step Wall: 7113.96, 0.00313592/step, 2.39445 hours remaining, 234.882812 MB of memory in use. ENERGY: 2251200 3959.7606 20543.8453 14428.6856 243.5533 -203552.5342 2973.3160 0.0000 0.0000 51734.4898 -109668.8836 297.3188 -161403.3734 -109305.9577 298.5900 -134.1750 -113.2444 763610.0429 -11.2634 -11.2575 PRESSURE: 2251400 -282.196 49.5264 213.99 49.5266 -466.101 -114.625 213.991 -114.625 -290.474 GPRESSURE: 2251400 -306.232 44.2179 172.894 -26.7721 -355.961 9.23864 140.522 -126.735 -304.148 PRESSAVG: 2251400 -15.6415 -0.0296928 -13.8485 -0.0296856 1.61916 -38.276 -13.8485 -38.276 19.9815 GPRESSAVG: 2251400 -16.1986 -0.0917497 -13.7153 -0.230936 3.33914 -39.3928 -12.658 -38.0884 18.9544 TIMING: 2251400 CPU: 7114.58, 0.00312871/step Wall: 7114.58, 0.00312871/step, 2.38877 hours remaining, 234.882812 MB of memory in use. ENERGY: 2251400 4075.9328 20718.7287 14419.2365 258.5845 -203738.1108 2713.5771 0.0000 0.0000 51931.2408 -109620.8104 298.4496 -161552.0511 -109261.5427 298.2111 -346.2572 -322.1135 764135.4192 1.9864 2.0317 PRESSURE: 2251600 -33.5048 -58.4135 -103.91 -58.4137 296.805 62.0173 -103.911 62.0174 -37.1342 GPRESSURE: 2251600 -79.2662 -10.8447 -89.1441 56.5772 386.639 26.455 -166.542 93.3306 -8.61439 PRESSAVG: 2251600 -32.5768 -47.9855 -13.8204 -47.9855 1.74607 -35.7906 -13.8203 -35.7906 5.54219 GPRESSAVG: 2251600 -31.9484 -48.5062 -14.3173 -47.3522 1.3175 -35.2345 -15.0308 -37.1801 5.98769 TIMING: 2251600 CPU: 7115.21, 0.00314084/step Wall: 7115.21, 0.00314084/step, 2.39786 hours remaining, 234.882812 MB of memory in use. ENERGY: 2251600 4035.7292 20450.9640 14466.9386 267.9971 -203409.1730 2664.8585 0.0000 0.0000 52130.3189 -109392.3667 299.5937 -161522.6857 -109025.7739 299.0581 75.3887 99.5863 762110.5300 -8.4295 -8.2144 PRESSURE: 2251800 85.2117 -89.832 -23.582 -89.831 18.562 11.6713 -23.5829 11.6713 351.386 GPRESSURE: 2251800 139.206 -109.717 -66.8473 -39.6774 19.6216 -25.5503 -48.689 -87.4365 391.105 PRESSAVG: 2251800 -39.4747 -81.3161 21.0401 -81.3161 18.1511 16.1526 21.0401 16.1525 9.42199 GPRESSAVG: 2251800 -42.0895 -79.6672 21.0599 -81.539 18.5503 16.2999 21.5715 17.7133 11.2658 TIMING: 2251800 CPU: 7115.84, 0.00314919/step Wall: 7115.84, 0.00314919/step, 2.40406 hours remaining, 234.882812 MB of memory in use. ENERGY: 2251800 3978.2358 20467.5237 14418.4780 257.4993 -203121.8439 2479.6792 0.0000 0.0000 51929.9897 -109590.4383 298.4424 -161520.4280 -109218.1554 298.9120 151.7200 183.3107 763641.0756 -3.9672 -4.0911 PRESSURE: 2252000 178.755 -59.712 159.919 -59.7123 210.493 136.373 159.919 136.373 307.017 GPRESSURE: 2252000 240.597 68.1156 231.153 -5.08479 248.146 60.9754 138.415 224.996 298.85 PRESSAVG: 2252000 28.8221 -52.8242 16.002 -52.8241 -29.2254 -22.3756 16.0021 -22.3756 14.9165 GPRESSAVG: 2252000 31.2444 -52.8009 17.5215 -53.5128 -30.2214 -22.6272 14.8829 -22.7956 13.6055 TIMING: 2252000 CPU: 7116.47, 0.00314326/step Wall: 7116.47, 0.00314326/step, 2.39935 hours remaining, 234.882812 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: 2252000 3965.2646 20551.3949 14514.8029 233.9080 -203699.3136 2870.7207 0.0000 0.0000 51994.5084 -109568.7141 298.8132 -161563.2225 -109207.7869 298.6542 232.0883 262.5310 762353.8248 4.8378 4.8762 PRESSURE: 2252200 -193.751 166.571 -48.7412 166.572 -81.0902 -22.0577 -48.7417 -22.0568 26.2626 GPRESSURE: 2252200 -253.996 130.26 6.24229 202.37 40.0148 6.31893 2.79631 -70.0684 27.0962 PRESSAVG: 2252200 -7.51968 -55.5123 -4.33959 -55.5122 18.7763 -17.8411 -4.33963 -17.8411 -14.3907 GPRESSAVG: 2252200 -8.55652 -57.6643 -5.16319 -54.2191 19.2178 -18.4462 -3.59497 -17.0132 -14.7224 TIMING: 2252200 CPU: 7117.1, 0.00315945/step Wall: 7117.1, 0.00315945/step, 2.41154 hours remaining, 234.882812 MB of memory in use. ENERGY: 2252200 3934.9112 20700.7556 14425.7609 233.1478 -203519.6516 2635.3610 0.0000 0.0000 51985.8558 -109603.8592 298.7634 -161589.7150 -109235.5965 298.3161 -82.8596 -62.2951 762249.4680 -1.0447 -1.3537 LDB: ============= START OF LOAD BALANCING ============== 7129.64 LDB: ============== END OF LOAD BALANCING =============== 7129.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7129.64 LDB: ============= START OF LOAD BALANCING ============== 7129.95 LDB: Largest compute 7076 load 0.032326 is 16.5% of average load 0.195436 LDB: Average compute 0.004393 is 2.2% of average load 0.195436 LDB: TIME 7129.96 LOAD: AVG 0.195436 MAX 0.218993 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 7129.96 LOAD: AVG 0.195436 MAX 0.218993 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 7129.96 LOAD: AVG 0.195436 MAX 0.216571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 7129.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7129.96 PRESSURE: 2252400 28.6819 -133.827 168.872 -133.827 218.799 -122.043 168.871 -122.043 21.6345 GPRESSURE: 2252400 -22.9239 -112.733 131.291 -115.395 201.292 -87.4398 75.9918 -185.776 161.561 PRESSAVG: 2252400 15.5829 -21.8425 -6.0564 -21.8426 -10.8316 -18.768 -6.05633 -18.768 -10.5037 GPRESSAVG: 2252400 14.5968 -20.5785 -5.93986 -23.2988 -10.6327 -17.9013 -6.25496 -19.194 -9.52506 TIMING: 2252400 CPU: 7117.75, 0.00322216/step Wall: 7117.75, 0.00322216/step, 2.45923 hours remaining, 235.652344 MB of memory in use. ENERGY: 2252400 3989.8608 20516.4615 14517.1165 241.0599 -203509.0381 2760.0527 0.0000 0.0000 51869.0102 -109615.4766 298.0919 -161484.4867 -109254.6197 298.8784 89.7050 113.3097 762310.8253 -1.9175 -1.8537 PRESSURE: 2252600 76.9535 119.892 202.185 119.891 90.6388 -327.934 202.184 -327.934 -237.038 GPRESSURE: 2252600 58.0419 -8.65861 141.916 89.6565 160.823 -325.323 133.694 -359.641 -203.328 PRESSAVG: 2252600 29.5966 -80.0624 5.60692 -80.0625 -3.17094 -52.186 5.6069 -52.186 31.9552 GPRESSAVG: 2252600 29.9493 -79.9369 7.04584 -78.9808 -3.91675 -52.1518 2.86795 -52.0378 32.3813 TIMING: 2252600 CPU: 7118.38, 0.00315754/step Wall: 7118.38, 0.00315754/step, 2.40973 hours remaining, 235.855469 MB of memory in use. ENERGY: 2252600 4002.1437 20351.7516 14540.3901 247.7320 -203857.9543 3032.2752 0.0000 0.0000 52044.1300 -109639.5317 299.0983 -161683.6616 -109279.7626 298.2112 -23.1486 5.1790 762743.4863 19.4603 19.4713 PRESSURE: 2252800 -123.381 -173.801 -388.679 -173.801 -254.88 196.079 -388.679 196.079 -372.128 GPRESSURE: 2252800 -139.722 -264.348 -360.012 -139.965 -231.783 147.644 -286.11 243.097 -296.615 PRESSAVG: 2252800 -27.1697 -13.1819 -27.5216 -13.182 39.2463 -26.3822 -27.5216 -26.3822 -16.9289 GPRESSAVG: 2252800 -26.4364 -13.9618 -30.7079 -14.6922 39.3116 -24.8162 -22.6985 -27.1641 -17.7476 TIMING: 2252800 CPU: 7119.01, 0.00314672/step Wall: 7119.01, 0.00314672/step, 2.4013 hours remaining, 235.855469 MB of memory in use. ENERGY: 2252800 4098.4932 20495.9031 14523.3728 258.2951 -203126.3841 2441.5447 0.0000 0.0000 51984.0214 -109324.7538 298.7529 -161308.7752 -108960.8685 298.9532 -250.1299 -222.7071 765037.2513 -1.6174 -1.6241 PRESSURE: 2253000 208.476 -135.607 -137.705 -135.608 -327.476 -315.328 -137.705 -315.328 190.095 GPRESSURE: 2253000 218.203 -78.8428 -78.2371 -146.327 -215.691 -304.883 -129.007 -363.75 143.869 PRESSAVG: 2253000 -23.8034 -57.7291 10.9385 -57.7291 20.7407 -0.855238 10.9385 -0.855302 0.440583 GPRESSAVG: 2253000 -23.8224 -57.3596 13.9702 -56.9721 20.6996 -1.28821 8.17326 -0.769966 0.407119 TIMING: 2253000 CPU: 7119.64, 0.0031413/step Wall: 7119.64, 0.0031413/step, 2.39698 hours remaining, 235.855469 MB of memory in use. ENERGY: 2253000 3969.4779 20566.1792 14568.8932 267.4000 -203599.5204 2688.4959 0.0000 0.0000 52345.2727 -109193.8014 300.8290 -161539.0741 -108835.2904 299.2983 23.6983 48.7934 762352.1781 -0.8740 -0.9052 PRESSURE: 2253200 -152.457 -91.611 167.807 -91.6113 29.29 53.3408 167.808 53.3401 55.8018 GPRESSURE: 2253200 -82.9447 -192.344 101.841 -54.2137 44.6787 30.4924 198.188 -39.5305 57.7859 PRESSAVG: 2253200 11.4171 -101.966 -39.3685 -101.966 3.42592 -38.4802 -39.3684 -38.4802 -11.0601 GPRESSAVG: 2253200 12.028 -103.991 -39.7441 -101.567 1.98877 -38.6382 -38.863 -39.8272 -10.4035 TIMING: 2253200 CPU: 7120.26, 0.00314212/step Wall: 7120.26, 0.00314212/step, 2.39744 hours remaining, 235.855469 MB of memory in use. ENERGY: 2253200 4092.8639 20528.8274 14480.8994 255.8891 -203904.5404 2983.8333 0.0000 0.0000 52064.5052 -109497.7221 299.2154 -161562.2273 -109134.5929 299.2584 -22.4552 6.5066 763873.6219 1.2610 1.2044 PRESSURE: 2253400 124.841 -167.864 62.1789 -167.865 -16.2607 47.4573 62.1791 47.458 0.890486 GPRESSURE: 2253400 61.527 -196.189 6.5486 -237.018 128.989 18.298 83.4713 -120.455 4.12188 PRESSAVG: 2253400 -0.952868 -50.6689 26.1772 -50.6689 -0.145162 -66.17 26.1771 -66.1701 -0.671782 GPRESSAVG: 2253400 -1.77495 -49.6234 26.085 -50.9967 1.11399 -65.3982 27.0264 -67.0194 -1.05927 TIMING: 2253400 CPU: 7120.89, 0.00311658/step Wall: 7120.89, 0.00311657/step, 2.37777 hours remaining, 235.855469 MB of memory in use. ENERGY: 2253400 3988.4042 20483.5586 14563.6936 223.7466 -203719.1115 3020.5052 0.0000 0.0000 52015.8538 -109423.3494 298.9358 -161439.2032 -109057.3292 299.2002 36.4902 64.8792 762932.0667 -0.5899 -0.5734 PRESSURE: 2253600 18.8947 -36.0883 -122.753 -36.0886 -93.5665 -16.5276 -122.753 -16.5276 -166.156 GPRESSURE: 2253600 66.9591 -97.4874 -203.562 -141.807 -17.3694 -8.99644 -219.22 -40.6125 -207.871 PRESSAVG: 2253600 15.4729 -77.102 22.8011 -77.102 -12.6249 -64.4224 22.8011 -64.4224 16.3465 GPRESSAVG: 2253600 16.9219 -76.7552 19.9603 -77.8348 -13.4501 -65.2923 21.5296 -63.6646 16.1384 TIMING: 2253600 CPU: 7121.51, 0.00313054/step Wall: 7121.51, 0.00313054/step, 2.38825 hours remaining, 235.855469 MB of memory in use. ENERGY: 2253600 4052.0785 20589.7677 14481.1415 262.2849 -203672.3825 2988.6866 0.0000 0.0000 51835.1455 -109463.2778 297.8973 -161298.4233 -109115.2666 299.5406 -80.2760 -52.7603 763877.1355 6.3981 6.5367 PRESSURE: 2253800 -134.59 21.2331 -108.238 21.2335 -117.027 -99.8509 -108.238 -99.8516 -125.048 GPRESSURE: 2253800 -124.744 -15.5069 -139.04 22.6361 -17.1376 -95.9878 -42.119 -135.282 -153.802 PRESSAVG: 2253800 -3.50591 -71.1673 34.8225 -71.1673 -4.50978 -39.2504 34.8225 -39.2504 -7.12023 GPRESSAVG: 2253800 -4.47165 -69.9935 36.781 -71.233 -2.96901 -39.0589 36.8239 -38.5555 -8.14008 TIMING: 2253800 CPU: 7122.14, 0.00312515/step Wall: 7122.14, 0.00312515/step, 2.38397 hours remaining, 235.855469 MB of memory in use. ENERGY: 2253800 4019.9335 20548.1024 14489.1125 253.9639 -203667.8547 2863.0550 0.0000 0.0000 51894.9511 -109598.7363 298.2410 -161493.6874 -109228.2241 299.1465 -125.5551 -98.5614 762787.8487 -5.0453 -5.1936 PRESSURE: 2254000 -167.336 -226.399 121.878 -226.398 212.471 -80.023 121.878 -80.0233 -356.5 GPRESSURE: 2254000 -107.557 -272.682 220.022 -208.705 189.466 -94.5831 92.42 -92.0397 -310.839 PRESSAVG: 2254000 9.08965 -47.5807 15.2463 -47.5808 -31.0299 -53.347 15.2463 -53.347 4.52593 GPRESSAVG: 2254000 8.74602 -48.6137 16.2229 -46.3117 -32.0214 -55.2527 12.1341 -51.642 5.51236 TIMING: 2254000 CPU: 7122.77, 0.00316274/step Wall: 7122.77, 0.00316274/step, 2.41247 hours remaining, 235.855469 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: 2254000 3979.9982 20544.7110 14548.5070 243.7168 -203888.4640 2830.9482 0.0000 0.0000 52155.0806 -109585.5022 299.7360 -161740.5828 -109233.3146 298.7327 -103.7884 -76.3098 764765.6143 -5.8048 -5.9210 PRESSURE: 2254200 23.9286 -88.6808 -292.49 -88.6809 -209.014 4.17994 -292.49 4.18024 267.344 GPRESSURE: 2254200 90.2734 8.07145 -268.118 -34.9503 -162.75 16.1333 -454.24 -71.7391 234.963 PRESSAVG: 2254200 4.9596 -58.5396 30.8188 -58.5396 6.41556 -32.0775 30.8188 -32.0775 -9.31273 GPRESSAVG: 2254200 5.64556 -58.4784 28.8715 -58.396 7.27601 -32.8565 31.8907 -30.1233 -10.5135 TIMING: 2254200 CPU: 7123.4, 0.00313546/step Wall: 7123.4, 0.00313546/step, 2.39149 hours remaining, 235.855469 MB of memory in use. ENERGY: 2254200 3967.6618 20507.3356 14493.8180 269.0335 -203564.5678 2874.4531 0.0000 0.0000 51937.4066 -109514.8591 298.4850 -161452.2658 -109163.1729 298.8406 27.4196 54.1620 763783.7218 0.6875 0.8027 PRESSURE: 2254400 42.1061 8.85513 143.668 8.85533 -361.258 111.928 143.669 111.928 -460.125 GPRESSURE: 2254400 29.6365 72.4314 154.83 -43.5851 -353.293 135.516 42.0127 105.692 -391.695 PRESSAVG: 2254400 17.4259 19.0209 -36.6569 19.0209 -26.06 -15.4965 -36.6569 -15.4965 -17.8185 GPRESSAVG: 2254400 17.4158 20.2989 -35.2394 18.0012 -26.5084 -14.5423 -37.3237 -18.657 -17.1652 TIMING: 2254400 CPU: 7124.02, 0.00312656/step Wall: 7124.02, 0.00312656/step, 2.38452 hours remaining, 235.855469 MB of memory in use. ENERGY: 2254400 4040.3208 20411.3763 14547.2625 231.0705 -203792.7842 2797.1347 0.0000 0.0000 51839.4142 -109926.2051 297.9218 -161765.6193 -109554.2219 298.0365 -259.7589 -238.4504 763776.0119 -8.8175 -8.7526 PRESSURE: 2254600 97.8429 16.7507 -214.864 16.7507 31.5472 33.2921 -214.862 33.2921 -257.487 GPRESSURE: 2254600 90.0859 136.721 -148.784 -56.2571 59.3394 110.424 -111.654 53.7676 -192.289 PRESSAVG: 2254600 -41.543 -73.2981 24.0782 -73.298 -12.8395 -0.328687 24.0782 -0.328725 2.22275 GPRESSAVG: 2254600 -41.3706 -73.8503 24.7799 -72.1994 -12.1218 -1.49839 25.586 0.50996 1.28271 TIMING: 2254600 CPU: 7124.65, 0.00314041/step Wall: 7124.65, 0.00314041/step, 2.39491 hours remaining, 235.855469 MB of memory in use. ENERGY: 2254600 3890.8072 20511.1127 14521.2724 231.5721 -203169.6523 2403.9165 0.0000 0.0000 51926.5975 -109684.3739 298.4229 -161610.9714 -109316.0892 298.2391 -42.6989 -14.2879 763096.7620 -17.3866 -17.4032 PRESSURE: 2254800 -80.225 64.3103 153.849 64.3111 277.945 284.651 153.85 284.651 118.227 GPRESSURE: 2254800 -93.3073 60.0005 75.5711 77.095 345.214 316.374 192.726 200.614 163.339 PRESSAVG: 2254800 -42.9647 -44.1825 -39.0392 -44.1825 -17.2762 -4.21374 -39.0391 -4.21371 -15.7458 GPRESSAVG: 2254800 -41.01 -43.3873 -39.931 -44.8928 -18.6836 -2.25097 -38.2655 -5.16826 -16.3076 TIMING: 2254800 CPU: 7125.28, 0.00313821/step Wall: 7125.28, 0.00313821/step, 2.39306 hours remaining, 235.855469 MB of memory in use. ENERGY: 2254800 3957.2914 20635.2101 14475.6818 219.5595 -204188.6050 3201.4088 0.0000 0.0000 52011.3352 -109688.1181 298.9099 -161699.4533 -109327.3865 298.1805 105.3156 138.4152 760719.5895 -25.3289 -25.3338 PRESSURE: 2255000 -299.333 27.1398 13.7914 27.14 -240.135 -84.5508 13.7915 -84.5519 -237.89 GPRESSURE: 2255000 -216.163 140.446 9.04605 86.1399 -261.922 -56.8482 101.072 -78.2763 -220.35 PRESSAVG: 2255000 6.13647 -1.70186 -3.54476 -1.70186 -5.56782 -31.0887 -3.54471 -31.0886 8.20661 GPRESSAVG: 2255000 4.0533 -1.97062 -3.80099 -2.39352 -4.11126 -29.7778 -3.35766 -28.8378 9.19493 TIMING: 2255000 CPU: 7125.91, 0.0031572/step Wall: 7125.91, 0.0031572/step, 2.40737 hours remaining, 235.855469 MB of memory in use. ENERGY: 2255000 4033.1177 20545.6151 14563.1545 237.7044 -203502.1359 2682.6967 0.0000 0.0000 51743.4010 -109696.4466 297.3700 -161439.8476 -109351.3669 298.4550 -259.1196 -232.8119 761336.1185 2.9251 3.0457 PRESSURE: 2255200 -129.396 -2.90388 70.4122 -2.90361 -174.854 194.718 70.4121 194.718 -170.935 GPRESSURE: 2255200 -122.066 75.5647 76.9214 -145.643 -129.941 176.616 16.1674 176.209 -136.889 PRESSAVG: 2255200 86.0183 -41.6101 18.7726 -41.6102 -54.0243 -10.614 18.7726 -10.614 29.394 GPRESSAVG: 2255200 86.2895 -40.4568 17.7778 -41.3396 -54.9171 -12.2531 16.2766 -12.3133 29.9322 TIMING: 2255200 CPU: 7126.54, 0.00315719/step Wall: 7126.54, 0.00315719/step, 2.40718 hours remaining, 235.855469 MB of memory in use. ENERGY: 2255200 4042.3018 20428.5902 14489.1369 255.1922 -203652.2326 2813.9794 0.0000 0.0000 51968.2142 -109654.8179 298.6620 -161623.0321 -109298.1783 298.6125 -158.3950 -129.6319 761515.6071 20.4627 20.4349 PRESSURE: 2255400 -318.568 -42.1303 -146.785 -42.1308 288.471 -140.447 -146.784 -140.447 -135.89 GPRESSURE: 2255400 -240.303 -70.635 -127.98 -126.725 308.191 -160.717 -35.5605 -62.3719 -137.368 PRESSAVG: 2255400 6.797 -20.6105 9.99571 -20.6105 -19.6091 -19.1948 9.99569 -19.1949 5.35536 GPRESSAVG: 2255400 7.24434 -22.2143 11.7535 -17.7591 -19.3109 -19.8675 11.902 -18.73 4.61147 TIMING: 2255400 CPU: 7127.17, 0.0031312/step Wall: 7127.17, 0.0031312/step, 2.38719 hours remaining, 235.855469 MB of memory in use. ENERGY: 2255400 4026.0266 20554.5816 14475.8725 240.0256 -203365.6270 2631.2166 0.0000 0.0000 52010.2063 -109427.6978 298.9034 -161437.9041 -109074.2032 299.3423 -55.3291 -23.1600 761180.9310 -2.4856 -2.4850 PRESSURE: 2255600 -168.658 112.938 108.102 112.938 -48.4496 -6.95609 108.103 -6.95586 32.5068 GPRESSURE: 2255600 -79.4345 81.0357 253.102 45.1904 -10.6453 -9.27619 83.1825 78.9795 -14.2972 PRESSAVG: 2255600 -26.2407 26.9514 -33.857 26.9513 -45.3831 10.3362 -33.857 10.3363 42.0814 GPRESSAVG: 2255600 -27.6749 26.9811 -35.1165 27.0081 -44.5924 10.6793 -35.6099 9.07865 42.6765 TIMING: 2255600 CPU: 7127.79, 0.00313476/step Wall: 7127.79, 0.00313476/step, 2.38973 hours remaining, 235.855469 MB of memory in use. ENERGY: 2255600 3985.5034 20365.2722 14516.2389 256.9038 -203167.0697 2607.5699 0.0000 0.0000 51925.2232 -109510.3584 298.4150 -161435.5816 -109147.2154 299.0010 -61.5335 -34.7923 762726.1422 -9.8475 -9.8636 PRESSURE: 2255800 -195.712 -97.106 -50.7397 -97.1056 -250.238 -49.9778 -50.7402 -49.9787 305.272 GPRESSURE: 2255800 -132.564 -40.1184 -89.9088 -172.702 -185.55 15.4733 -7.61444 -153.324 250.194 PRESSAVG: 2255800 -60.5068 -56.4805 -4.2956 -56.4805 63.5043 -5.5291 -4.29556 -5.52908 -1.61577 GPRESSAVG: 2255800 -60.1935 -55.9233 -4.77075 -58.1657 63.5019 -4.07476 -2.87625 -3.50844 -1.79599 TIMING: 2255800 CPU: 7128.42, 0.00311969/step Wall: 7128.42, 0.00311969/step, 2.37807 hours remaining, 235.855469 MB of memory in use. ENERGY: 2255800 3986.3862 20349.4686 14556.0543 249.9648 -203087.0205 2525.6477 0.0000 0.0000 51988.6821 -109430.8167 298.7797 -161419.4989 -109072.2601 298.9383 -46.8925 -22.6402 763178.8808 0.4606 0.5041 PRESSURE: 2256000 -175.766 -9.67292 -196.208 -9.67305 -40.7731 -243.258 -196.208 -243.259 471.339 GPRESSURE: 2256000 -2.58393 -36.1944 -233.158 -35.0396 -101.725 -236.146 -227.877 -148.258 443.752 PRESSAVG: 2256000 -0.460868 -46.2535 -44.1577 -46.2535 -14.4374 -21.2679 -44.1577 -21.2678 -5.50708 GPRESSAVG: 2256000 1.10836 -47.2539 -45.4688 -45.445 -14.2468 -22.6837 -45.4046 -21.4011 -7.56708 TIMING: 2256000 CPU: 7129.05, 0.00313441/step Wall: 7129.05, 0.00313441/step, 2.38912 hours remaining, 235.855469 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: 2256000 3942.5267 20514.2560 14534.8205 261.5202 -203406.5961 2742.0722 0.0000 0.0000 51943.0449 -109468.3558 298.5174 -161411.4007 -109106.7576 299.3120 84.9333 113.1478 762764.6358 -6.8018 -6.9018 PRESSURE: 2256200 -225.905 65.1937 59.7662 65.1941 -311.135 80.0628 59.7646 80.0618 194.016 GPRESSURE: 2256200 -134.161 6.05784 40.3971 70.8401 -258.241 177.167 55.5197 -60.1697 129.008 PRESSAVG: 2256200 21.8198 -47.6358 -41.1899 -47.6357 30.5508 -5.22304 -41.19 -5.22317 13.5933 GPRESSAVG: 2256200 22.2274 -48.49 -38.7691 -47.0369 29.1412 -4.96923 -42.8498 -6.25561 15.0385 TIMING: 2256200 CPU: 7129.67, 0.00311756/step Wall: 7129.67, 0.00311756/step, 2.3761 hours remaining, 235.855469 MB of memory in use. ENERGY: 2256200 3980.9299 20599.6792 14509.9932 231.1276 -203477.8474 2763.3761 0.0000 0.0000 52049.0384 -109343.7030 299.1265 -161392.7414 -108977.0021 299.3394 -114.3412 -87.7981 764927.7285 21.9880 22.1357 LDB: ============= START OF LOAD BALANCING ============== 7142.2 LDB: ============== END OF LOAD BALANCING =============== 7142.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7142.2 LDB: ============= START OF LOAD BALANCING ============== 7142.51 LDB: Largest compute 7031 load 0.031778 is 16.2% of average load 0.195601 LDB: Average compute 0.004385 is 2.2% of average load 0.195601 LDB: TIME 7142.52 LOAD: AVG 0.195601 MAX 0.212635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 7142.52 LOAD: AVG 0.195601 MAX 0.212635 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.277 MB LDB: TIME 7142.52 LOAD: AVG 0.195601 MAX 0.212635 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.277 MB LDB: ============== END OF LOAD BALANCING =============== 7142.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7142.53 PRESSURE: 2256400 -8.79298 -52.4869 -202.374 -52.4867 81.69 -176.302 -202.374 -176.302 -329.04 GPRESSURE: 2256400 7.22714 -139.585 -227.065 -103.148 156.673 -176.629 -251.007 -135.008 -344.219 PRESSAVG: 2256400 -8.27442 -61.3927 -43.1419 -61.3928 1.12066 -16.9221 -43.1419 -16.922 -10.2348 GPRESSAVG: 2256400 -9.04298 -60.6617 -43.5698 -63.7658 1.83617 -17.8149 -41.1037 -15.1146 -10.4595 TIMING: 2256400 CPU: 7130.31, 0.00320295/step Wall: 7130.31, 0.00320295/step, 2.44101 hours remaining, 234.679688 MB of memory in use. ENERGY: 2256400 3999.6754 20669.1615 14492.4717 238.9861 -203398.3556 2581.9603 0.0000 0.0000 51997.8888 -109418.2117 298.8326 -161416.1006 -109055.5843 299.4402 -85.3811 -60.1064 762851.5577 -5.7962 -5.8888 PRESSURE: 2256600 -328.609 -29.5375 -28.9792 -29.5373 -300.803 90.3315 -28.9799 90.3321 -57.4969 GPRESSURE: 2256600 -343.015 -12.0478 2.02308 80.1636 -218.413 103.044 -54.2379 16.252 -44.8421 PRESSAVG: 2256600 38.1323 -51.2886 -24.8374 -51.2886 -26.8823 19.8161 -24.8373 19.8162 -21.6841 GPRESSAVG: 2256600 36.0882 -51.8274 -23.697 -51.2528 -25.7704 22.3177 -24.9307 17.6506 -20.9908 TIMING: 2256600 CPU: 7130.94, 0.00314216/step Wall: 7130.94, 0.00314216/step, 2.3945 hours remaining, 234.679688 MB of memory in use. ENERGY: 2256600 3967.5827 20489.2847 14524.5749 250.0627 -203070.0378 2292.4426 0.0000 0.0000 52176.7165 -109369.3736 299.8603 -161546.0901 -109007.2224 299.4757 -228.9698 -202.0900 762946.2177 -3.4780 -3.5577 PRESSURE: 2256800 -116.302 -177.961 131.246 -177.961 -84.0013 -62.8549 131.245 -62.8547 -85.0483 GPRESSURE: 2256800 -62.5935 -304.685 51.9966 -176.662 -102.985 -52.6928 189.361 -126.082 -51.7269 PRESSAVG: 2256800 46.9835 -55.7944 -1.2775 -55.7944 2.05204 -14.0793 -1.27747 -14.0794 14.9651 GPRESSAVG: 2256800 47.9105 -56.5027 -3.30994 -54.3601 0.963227 -16.0043 -1.68752 -12.9382 14.9379 TIMING: 2256800 CPU: 7131.57, 0.0031405/step Wall: 7131.57, 0.0031405/step, 2.39306 hours remaining, 234.679688 MB of memory in use. ENERGY: 2256800 4002.4704 20577.7454 14525.3582 240.5808 -203439.5898 2499.6905 0.0000 0.0000 52061.5600 -109532.1845 299.1985 -161593.7445 -109168.7289 299.4553 -95.1172 -72.4350 761178.5419 21.3335 21.2705 PRESSURE: 2257000 288.353 -66.6762 73.8323 -66.6752 65.7168 -200.517 73.8325 -200.517 15.812 GPRESSURE: 2257000 307.806 -88.5358 151.435 -70.3748 44.8955 -176.829 88.9039 -275.298 105.679 PRESSAVG: 2257000 50.0837 -60.1485 -40.7385 -60.1485 -39.5171 28.5529 -40.7385 28.5529 19.6799 GPRESSAVG: 2257000 50.8888 -58.821 -39.9635 -60.2515 -39.0835 28.2664 -37.1874 27.2405 18.8342 TIMING: 2257000 CPU: 7132.19, 0.00312902/step Wall: 7132.19, 0.00312902/step, 2.38414 hours remaining, 234.679688 MB of memory in use. ENERGY: 2257000 3970.2310 20578.2586 14408.9111 248.9358 -203706.7306 2723.1296 0.0000 0.0000 51989.2111 -109788.0535 298.7827 -161777.2646 -109424.3946 298.2123 123.2939 152.7935 761028.5580 10.0822 10.2131 PRESSURE: 2257200 -78.3167 -170.107 30.3453 -170.106 -463.459 -98.5044 30.3454 -98.5035 -349.759 GPRESSURE: 2257200 -33.3655 -248.354 71.9098 -165.174 -378.65 -121.302 3.9203 -1.03734 -389.861 PRESSAVG: 2257200 70.763 -16.6022 -49.2769 -16.6022 -53.331 24.6773 -49.2769 24.6773 2.50323 GPRESSAVG: 2257200 69.064 -17.9459 -48.2627 -15.3921 -51.9982 24.9511 -50.9285 25.0968 2.55046 TIMING: 2257200 CPU: 7132.82, 0.00312702/step Wall: 7132.82, 0.00312702/step, 2.38244 hours remaining, 234.679688 MB of memory in use. ENERGY: 2257200 3992.8203 20549.3046 14406.0419 253.5938 -203360.1277 2782.9882 0.0000 0.0000 51879.6423 -109495.7366 298.1530 -161375.3790 -109133.8241 298.7608 -297.1784 -267.2921 764684.6711 6.6451 6.5387 PRESSURE: 2257400 -100.45 -151.968 -398.375 -151.969 62.7122 80.9788 -398.374 80.9781 59.1874 GPRESSURE: 2257400 -51.3448 -66.2637 -308.03 -144.039 -40.7839 102.213 -390.744 -41.5197 196.091 PRESSAVG: 2257400 -11.5817 -25.8844 -35.8733 -25.8844 9.65087 3.66304 -35.8732 3.66311 -17.8066 GPRESSAVG: 2257400 -11.6704 -25.3356 -35.8262 -27.3225 9.7663 3.58799 -34.715 3.56853 -17.2613 TIMING: 2257400 CPU: 7133.45, 0.00314423/step Wall: 7133.45, 0.00314423/step, 2.39538 hours remaining, 234.679688 MB of memory in use. ENERGY: 2257400 3975.6659 20495.8341 14401.0488 250.7763 -203406.5221 2950.0512 0.0000 0.0000 51869.7121 -109463.4339 298.0959 -161333.1459 -109109.6306 298.8926 7.1500 34.6541 763358.3500 -6.5791 -6.3885 PRESSURE: 2257600 193.565 120.539 234.483 120.539 -137.313 206.91 234.484 206.911 -109.02 GPRESSURE: 2257600 262.161 32.4132 177.656 83.724 -109.506 236.575 268.353 174.963 -124.81 PRESSAVG: 2257600 15.1461 -65.212 -20.8995 -65.212 -24.9681 -16.5128 -20.8995 -16.5128 2.02496 GPRESSAVG: 2257600 15.8501 -64.6314 -22.2244 -67.345 -24.9564 -16.7483 -22.1989 -17.2791 1.66774 TIMING: 2257600 CPU: 7134.08, 0.00314719/step Wall: 7134.08, 0.00314719/step, 2.39746 hours remaining, 234.679688 MB of memory in use. ENERGY: 2257600 3980.3319 20509.6384 14434.7770 260.2011 -203681.0397 3023.1108 0.0000 0.0000 52020.3164 -109452.6640 298.9615 -161472.9805 -109099.7604 298.5089 -17.5891 9.2819 764304.4393 -2.5990 -2.4795 PRESSURE: 2257800 -205.523 55.5611 98.7812 55.5605 258.349 301.479 98.782 301.479 9.18311 GPRESSURE: 2257800 -175.581 91.4939 15.4452 73.2719 296.761 297.922 43.9151 305.363 19.5682 PRESSAVG: 2257800 33.3729 19.385 24.033 19.385 -42.5429 4.32006 24.033 4.32001 -0.984023 GPRESSAVG: 2257800 33.767 19.8581 23.7033 20.9931 -43.9751 4.43497 24.6565 5.04895 -0.0385877 TIMING: 2257800 CPU: 7134.7, 0.00314389/step Wall: 7134.7, 0.00314389/step, 2.39477 hours remaining, 234.679688 MB of memory in use. ENERGY: 2257800 3939.4824 20377.1747 14468.1881 270.4009 -203369.0144 2783.6144 0.0000 0.0000 52094.8017 -109435.3524 299.3895 -161530.1541 -109063.6500 298.8681 20.6695 46.9162 764507.5460 -3.3847 -3.4155 PRESSURE: 2258000 118.271 -45.5648 -68.1473 -45.5645 -300.666 35.6836 -68.1478 35.6835 250.236 GPRESSURE: 2258000 39.6903 -51.3733 50.7283 -70.2739 -92.0115 -29.0482 -116.3 14.4226 209.52 PRESSAVG: 2258000 34.3757 -5.37449 -3.13548 -5.37448 14.352 34.7346 -3.13549 34.7346 -22.4104 GPRESSAVG: 2258000 34.2045 -7.45109 -2.15598 -4.06794 15.8818 34.2349 -3.47454 34.5041 -23.0978 TIMING: 2258000 CPU: 7135.33, 0.00314817/step Wall: 7135.33, 0.00314817/step, 2.39785 hours remaining, 234.679688 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: 2258000 3953.5936 20605.3835 14440.6682 253.8903 -203367.5499 2761.3234 0.0000 0.0000 52027.8402 -109324.8506 299.0047 -161352.6908 -108962.6041 299.2520 22.6134 52.3996 763411.9162 8.7724 8.9962 PRESSURE: 2258200 -50.7576 2.65564 371.696 2.65547 193.087 -1.62269 371.696 -1.62359 -628.048 GPRESSURE: 2258200 -51.9196 -100.167 315.285 0.304342 214.016 -48.5387 351.199 -17.2412 -575.867 PRESSAVG: 2258200 7.5792 -69.842 29.6175 -69.842 -2.48786 11.5779 29.6175 11.5778 6.17452 GPRESSAVG: 2258200 8.09389 -69.378 27.6739 -71.721 -1.95281 13.9981 30.7261 12.4933 5.82122 TIMING: 2258200 CPU: 7135.96, 0.00314096/step Wall: 7135.96, 0.00314096/step, 2.39219 hours remaining, 234.679688 MB of memory in use. ENERGY: 2258200 3962.3084 20492.0205 14455.3912 241.5007 -203230.6248 2722.3857 0.0000 0.0000 51997.4616 -109359.5566 298.8301 -161357.0183 -108998.5503 299.0205 -161.9062 -137.9234 762838.2558 3.7553 3.9874 PRESSURE: 2258400 -36.357 -182.892 16.1178 -182.893 344.256 -172.375 16.1179 -172.376 303.513 GPRESSURE: 2258400 140.621 -35.9147 13.2606 -199.998 275.122 -186.37 -19.9716 -168.214 278.841 PRESSAVG: 2258400 -4.40584 -43.1698 -8.29484 -43.1698 17.942 -11.7873 -8.29488 -11.7874 -16.3537 GPRESSAVG: 2258400 -4.89817 -43.3689 -5.84059 -40.4807 18.0641 -14.7067 -9.21351 -12.6106 -16.339 TIMING: 2258400 CPU: 7136.59, 0.00313338/step Wall: 7136.59, 0.00313338/step, 2.38624 hours remaining, 234.679688 MB of memory in use. ENERGY: 2258400 3956.3216 20592.8070 14436.5450 231.0443 -203561.7512 2921.1679 0.0000 0.0000 52131.6595 -109292.2059 299.6014 -161423.8655 -108940.8021 299.0022 203.8038 231.5283 762189.6367 -0.9392 -1.0577 PRESSURE: 2258600 -114.736 11.4491 -209.186 11.4503 -68.492 25.096 -209.186 25.0961 -85.2743 GPRESSURE: 2258600 -5.98875 -81.2794 -229.899 8.46354 -97.496 -35.8641 -256.643 148.435 -71.1906 PRESSAVG: 2258600 -6.8853 -28.0314 -40.8207 -28.0314 -20.5785 -86.393 -40.8207 -86.3929 13.0749 GPRESSAVG: 2258600 -6.13033 -28.949 -42.9085 -27.2284 -20.3019 -84.399 -39.6929 -87.9875 12.6663 TIMING: 2258600 CPU: 7137.22, 0.00314332/step Wall: 7137.22, 0.00314332/step, 2.39364 hours remaining, 234.679688 MB of memory in use. ENERGY: 2258600 4050.7754 20364.0639 14437.2034 262.6882 -203328.5059 2839.0972 0.0000 0.0000 52076.9979 -109297.6799 299.2872 -161374.6778 -108944.2094 299.3091 -89.5008 -58.2251 763832.4427 -4.7963 -4.5886 PRESSURE: 2258800 -385.503 30.1631 -177.798 30.1627 -303.742 -107.847 -177.798 -107.847 401.01 GPRESSURE: 2258800 -323.58 -28.5818 -175.075 -21.3942 -186.375 -104.516 -199.152 -29.3941 284.684 PRESSAVG: 2258800 -11.2492 -37.041 -49.564 -37.041 -19.9706 -43.2572 -49.5641 -43.2571 -15.9835 GPRESSAVG: 2258800 -12.2908 -33.7312 -47.8876 -39.8358 -19.8084 -44.9271 -49.9163 -42.0627 -15.0381 TIMING: 2258800 CPU: 7137.85, 0.00314227/step Wall: 7137.85, 0.00314227/step, 2.39267 hours remaining, 234.937500 MB of memory in use. ENERGY: 2258800 4022.0460 20578.9165 14512.1242 233.2304 -203464.3745 2793.6904 0.0000 0.0000 52220.3151 -109104.0518 300.1109 -161324.3670 -108737.3866 299.4206 -96.0784 -75.0903 764001.2035 -15.7344 -15.7124 PRESSURE: 2259000 311.616 6.7035 93.285 6.70372 -30.7972 247.211 93.2842 247.211 239.909 GPRESSURE: 2259000 374.393 -189.159 191.23 -86.852 30.2201 223.961 118.16 99.2292 195.534 PRESSAVG: 2259000 3.97241 -52.127 -41.1961 -52.127 25.2307 -61.8098 -41.1962 -61.8098 28.0037 GPRESSAVG: 2259000 4.36537 -54.2358 -40.4246 -50.0374 25.9822 -61.6781 -39.5343 -61.9703 27.141 TIMING: 2259000 CPU: 7138.48, 0.00315557/step Wall: 7138.48, 0.00315557/step, 2.40261 hours remaining, 234.937500 MB of memory in use. ENERGY: 2259000 3995.0776 20602.4216 14485.4311 242.0485 -203453.8375 2807.7670 0.0000 0.0000 52312.5345 -109008.5573 300.6409 -161321.0917 -108654.6308 300.1662 173.5762 200.0492 762796.0501 19.0689 19.1629 PRESSURE: 2259200 -423.104 -160.177 -59.1925 -160.178 -395.779 20.3627 -59.1918 20.3631 -139.499 GPRESSURE: 2259200 -347.245 -89.7603 -98.8541 -97.664 -391.817 -40.3311 -94.7547 -43.5654 -154.472 PRESSAVG: 2259200 11.7205 12.3936 -61.8896 12.3936 50.0555 -70.2493 -61.8896 -70.2493 -13.5831 GPRESSAVG: 2259200 13.2291 13.7232 -63.1371 10.8538 48.7139 -69.2573 -65.2142 -71.2586 -13.038 TIMING: 2259200 CPU: 7139.1, 0.00313861/step Wall: 7139.1, 0.00313861/step, 2.38953 hours remaining, 234.937500 MB of memory in use. ENERGY: 2259200 4028.6247 20550.4157 14472.2537 249.3996 -202606.6824 2234.7433 0.0000 0.0000 52114.5019 -108956.7435 299.5028 -161071.2453 -108593.4137 299.7959 -319.4605 -297.8447 763172.6942 16.0643 16.3016 PRESSURE: 2259400 174.852 94.441 108.31 94.4403 234.934 -257.934 108.309 -257.934 21.5157 GPRESSURE: 2259400 188.33 64.1855 86.4451 146.684 297.449 -174.937 145.003 -207.964 35.2733 PRESSAVG: 2259400 0.469633 -21.6741 -5.2419 -21.6741 21.812 15.5633 -5.2419 15.5632 28.73 GPRESSAVG: 2259400 1.08929 -22.0408 -4.02904 -23.9244 21.2128 14.6457 -4.35737 16.4118 29.3517 TIMING: 2259400 CPU: 7139.73, 0.00314807/step Wall: 7139.73, 0.00314807/step, 2.39656 hours remaining, 234.937500 MB of memory in use. ENERGY: 2259400 4018.8592 20562.3595 14453.2027 253.8067 -203116.2549 2697.9450 0.0000 0.0000 52259.7581 -108870.3236 300.3375 -161130.0818 -108502.3005 300.1278 143.7674 173.6841 762421.6248 17.0039 17.2179 PRESSURE: 2259600 -211.484 -220.732 71.7112 -220.733 -503.881 118.537 71.7118 118.539 329.034 GPRESSURE: 2259600 -115.476 -262.009 133.77 -210.634 -526.531 123.623 5.28272 66.7169 335.404 PRESSAVG: 2259600 -62.2718 -25.0051 47.3776 -25.0051 15.8379 20.8988 47.3776 20.8988 14.1842 GPRESSAVG: 2259600 -63.6378 -26.6423 45.0115 -22.6194 16.7344 21.5401 48.1811 20.9337 14.6196 TIMING: 2259600 CPU: 7140.36, 0.00313575/step Wall: 7140.36, 0.00313575/step, 2.38701 hours remaining, 234.937500 MB of memory in use. ENERGY: 2259600 3936.6806 20530.5020 14408.5109 231.0180 -202904.1485 2598.7755 0.0000 0.0000 52231.2163 -108967.4452 300.1735 -161198.6615 -108603.0700 299.8762 -128.7773 -102.2010 763282.6973 -10.7499 -10.7613 PRESSURE: 2259800 -369.116 8.4558 129.246 8.45585 247.806 -74.4145 129.246 -74.4138 -139.911 GPRESSURE: 2259800 -250.272 -79.6853 105.675 -46.5703 222.872 -103.338 214.028 69.7994 -132.127 PRESSAVG: 2259800 12.4479 -40.5834 -2.29076 -40.5833 41.7647 9.64758 -2.29078 9.64761 13.1953 GPRESSAVG: 2259800 12.9004 -39.6651 -2.12075 -39.987 41.5062 9.99941 -1.96393 10.409 13.0623 TIMING: 2259800 CPU: 7140.99, 0.00312827/step Wall: 7140.99, 0.00312827/step, 2.38113 hours remaining, 234.937500 MB of memory in use. ENERGY: 2259800 3940.1929 20519.6253 14474.6615 247.6844 -202661.5157 2542.7129 0.0000 0.0000 52096.6313 -108840.0073 299.4001 -160936.6387 -108468.1740 299.7128 -87.0738 -53.1758 763369.5542 22.4693 22.4896 PRESSURE: 2260000 -171.612 80.71 -25.4087 80.7103 119.51 136.501 -25.4093 136.501 42.7145 GPRESSURE: 2260000 -66.1734 79.9442 102.244 15.7177 21.7134 133.792 -81.7922 -19.0864 130.671 PRESSAVG: 2260000 -110.22 -34.6348 7.71375 -34.6348 79.9788 4.13776 7.71368 4.13765 -14.5486 GPRESSAVG: 2260000 -109.51 -33.4761 8.00705 -35.9731 80.3736 4.08947 9.05203 4.59159 -15.4575 TIMING: 2260000 CPU: 7141.62, 0.00315675/step Wall: 7141.62, 0.00315675/step, 2.40264 hours remaining, 234.937500 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: 2260000 3997.2874 20586.6494 14460.4845 235.0482 -202813.0269 2513.2766 0.0000 0.0000 52060.4241 -108959.8566 299.1920 -161020.2808 -108594.4632 299.8510 -3.1290 28.7371 762045.9903 -14.9299 -14.8648 PRESSURE: 2260200 -396.313 -182.335 -81.6972 -182.335 -81.7406 83.9854 -81.6964 83.9852 -55.5952 GPRESSURE: 2260200 -315.594 -171.861 -114.989 -140.156 -63.83 140.235 -19.6475 10.5489 -78.7088 PRESSAVG: 2260200 -82.5969 17.2725 36.6303 17.2725 70.2179 8.19932 36.6304 8.1993 2.4482 GPRESSAVG: 2260200 -81.9125 14.4959 35.6522 19.1613 69.8242 9.36419 35.2602 6.23665 1.90446 TIMING: 2260200 CPU: 7142.25, 0.00314727/step Wall: 7142.25, 0.00314727/step, 2.39525 hours remaining, 234.937500 MB of memory in use. ENERGY: 2260200 4000.8342 20493.6347 14483.3010 244.7829 -202914.1393 2557.8524 0.0000 0.0000 52172.9483 -108960.7859 299.8387 -161133.7342 -108596.6815 299.5900 -177.8830 -152.7111 762187.7524 -3.3103 -3.3946 LDB: ============= START OF LOAD BALANCING ============== 7154.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7154.78 LDB: =============== DONE WITH MIGRATION ================ 7154.78 LDB: ============= START OF LOAD BALANCING ============== 7155.1 LDB: Largest compute 7031 load 0.031015 is 15.9% of average load 0.195582 LDB: Average compute 0.004379 is 2.2% of average load 0.195582 LDB: TIME 7155.1 LOAD: AVG 0.195582 MAX 0.214847 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.504 MB LDB: TIME 7155.1 LOAD: AVG 0.195582 MAX 0.214847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.707 MB LDB: TIME 7155.1 LOAD: AVG 0.195582 MAX 0.214847 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.707 MB LDB: ============== END OF LOAD BALANCING =============== 7155.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7155.11 PRESSURE: 2260400 -154.442 226.297 -104.806 226.297 -64.9351 -141.543 -104.807 -141.542 399.308 GPRESSURE: 2260400 -113.713 206.891 -34.2923 209.541 -43.6468 -14.8791 -31.4712 -78.6175 414.832 PRESSAVG: 2260400 -9.17301 41.2296 19.4137 41.2295 27.7544 -20.0216 19.4137 -20.0216 -7.47793 GPRESSAVG: 2260400 -8.88762 41.6912 21.0649 38.626 27.0296 -21.1527 19.8511 -20.8712 -6.72093 TIMING: 2260400 CPU: 7142.89, 0.00321004/step Wall: 7142.89, 0.00321004/step, 2.44284 hours remaining, 237.453125 MB of memory in use. ENERGY: 2260400 4092.2757 20431.3920 14420.0755 256.0541 -202955.9420 2574.6056 0.0000 0.0000 52156.2474 -109025.2917 299.7427 -161181.5391 -108667.4388 299.7315 59.9770 85.8242 761150.4641 3.7012 3.8070 PRESSURE: 2260600 237.969 53.4934 186.121 53.4933 124.105 -45.3875 186.119 -45.3877 176.255 GPRESSURE: 2260600 240.532 -54.3809 187.167 -9.29793 180.531 -58.2208 -7.87202 -101.69 209.812 PRESSAVG: 2260600 -15.8631 -26.9533 10.1606 -26.9533 27.5398 16.6198 10.1605 16.6199 -11.7701 GPRESSAVG: 2260600 -17.3845 -25.2644 9.51366 -27.4165 28.8289 17.5764 11.0607 17.7029 -11.884 TIMING: 2260600 CPU: 7143.52, 0.00313151/step Wall: 7143.52, 0.00313151/step, 2.38291 hours remaining, 237.453125 MB of memory in use. ENERGY: 2260600 3919.8051 20590.0376 14489.9660 245.8108 -203199.8889 2699.3622 0.0000 0.0000 52188.4237 -109066.4835 299.9276 -161254.9072 -108693.4965 300.1292 179.4431 210.2915 762439.8768 -0.0311 -0.1465 PRESSURE: 2260800 -136.554 52.9997 -81.4388 52.9994 -145.459 -137.003 -81.4404 -137.004 81.3873 GPRESSURE: 2260800 -67.3322 102.181 -138.693 4.15312 -122.114 -187.199 -168.856 -6.46129 85.6176 PRESSAVG: 2260800 15.3829 -21.627 -14.4033 -21.627 22.458 56.5045 -14.4032 56.5045 0.872585 GPRESSAVG: 2260800 15.6274 -22.1538 -13.6137 -20.0474 21.6894 55.5136 -17.3798 57.267 1.50947 TIMING: 2260800 CPU: 7144.15, 0.00314446/step Wall: 7144.15, 0.00314446/step, 2.39258 hours remaining, 237.453125 MB of memory in use. ENERGY: 2260800 4053.8010 20549.5969 14529.2134 235.8104 -202843.6560 2376.3352 0.0000 0.0000 51956.7298 -109142.1693 298.5960 -161098.8990 -108768.7020 299.5628 -66.8751 -34.6096 760684.2469 12.9045 12.9421 PRESSURE: 2261000 37.4494 -277.146 -38.7125 -277.146 97.5878 -14.6242 -38.7111 -14.6241 94.8724 GPRESSURE: 2261000 31.0911 -179.946 -65.3008 -196.934 216.794 123.475 35.9139 56.9608 60.182 PRESSAVG: 2261000 -11.6599 -85.3301 -1.3895 -85.3301 6.03969 51.8273 -1.38955 51.8274 1.99451 GPRESSAVG: 2261000 -10.9619 -85.055 -0.857308 -85.4692 4.7564 52.8317 1.67672 51.3822 2.15152 TIMING: 2261000 CPU: 7144.77, 0.00313106/step Wall: 7144.77, 0.00313106/step, 2.38222 hours remaining, 237.453125 MB of memory in use. ENERGY: 2261000 3983.9558 20471.3105 14409.9489 240.7031 -203414.5336 2910.0182 0.0000 0.0000 52086.3238 -109312.2732 299.3408 -161398.5970 -108944.4652 299.6283 76.6365 102.6889 761322.2590 -1.2086 -1.3513 PRESSURE: 2261200 -9.2331 -141.669 -148.665 -141.67 1.77077 121.936 -148.666 121.937 -432.782 GPRESSURE: 2261200 -53.7708 -32.5013 -155.818 -158.185 98.0478 66.9734 -156.754 -36.2589 -399.977 PRESSAVG: 2261200 -17.2366 -26.3771 43.8833 -26.3771 71.0251 24.8465 43.8834 24.8464 4.12355 GPRESSAVG: 2261200 -16.928 -27.8109 43.3925 -25.126 71.8159 23.5692 44.0406 23.7077 3.35501 TIMING: 2261200 CPU: 7145.4, 0.00314046/step Wall: 7145.4, 0.00314046/step, 2.38919 hours remaining, 237.453125 MB of memory in use. ENERGY: 2261200 4024.6766 20506.2139 14409.8182 254.6439 -203229.9904 2469.8142 0.0000 0.0000 52351.6995 -109213.1242 300.8659 -161564.8237 -108838.3089 299.5909 -146.7482 -118.5665 762819.8821 19.3040 19.4143 PRESSURE: 2261400 82.2521 -193.099 130.355 -193.099 -199.534 123.291 130.355 123.291 79.9798 GPRESSURE: 2261400 73.7224 -119.28 135.497 -129.474 -139.458 114.759 71.7257 84.7081 113.462 PRESSAVG: 2261400 -88.2701 41.8256 -25.7582 41.8257 43.1842 29.4298 -25.7582 29.4298 -12.9763 GPRESSAVG: 2261400 -89.0695 44.0824 -27.2947 40.6534 44.0571 30.9121 -26.6444 29.2862 -13.2315 TIMING: 2261400 CPU: 7146.03, 0.00314379/step Wall: 7146.03, 0.00314379/step, 2.39155 hours remaining, 237.453125 MB of memory in use. ENERGY: 2261400 3961.2643 20467.5797 14475.2224 236.8792 -202973.7401 2298.4102 0.0000 0.0000 52264.0165 -109270.3678 300.3620 -161534.3843 -108911.5328 299.2981 -12.4342 15.9088 762766.3926 -19.3541 -19.4146 PRESSURE: 2261600 -188.183 76.1671 62.9172 76.1662 108.742 -86.8419 62.9157 -86.8428 -2.89388 GPRESSURE: 2261600 -229.696 207.295 34.9838 115.054 129.859 -12.5588 121.25 -6.05223 82.1664 PRESSAVG: 2261600 -42.6662 -8.54686 14.0711 -8.54693 47.313 20.0287 14.0711 20.0287 -19.5047 GPRESSAVG: 2261600 -42.1282 -7.8061 16.0667 -9.12641 46.5367 19.7663 14.5698 22.8034 -18.8908 TIMING: 2261600 CPU: 7146.66, 0.00313775/step Wall: 7146.66, 0.00313775/step, 2.38678 hours remaining, 237.453125 MB of memory in use. ENERGY: 2261600 4011.0708 20484.5243 14510.5928 227.3771 -202836.4866 2390.5833 0.0000 0.0000 51928.1269 -109284.2115 298.4317 -161212.3383 -108928.5647 299.2860 -27.4447 -5.8900 761313.9013 -4.9526 -4.8275 PRESSURE: 2261800 -159.797 -58.4477 -153.538 -58.4485 -36.1776 86.0466 -153.538 86.0471 -71.7394 GPRESSURE: 2261800 -171.375 10.8862 -126.232 44.6111 37.897 33.1253 -25.0277 -54.8608 -53.4633 PRESSAVG: 2261800 -28.659 -25.7381 29.5513 -25.7381 51.7959 -0.61116 29.5511 -0.611179 14.3335 GPRESSAVG: 2261800 -28.64 -27.8518 29.8826 -27.2305 52.7669 -0.806877 29.0463 -3.78418 13.7288 TIMING: 2261800 CPU: 7147.28, 0.00313078/step Wall: 7147.28, 0.00313078/step, 2.38131 hours remaining, 237.453125 MB of memory in use. ENERGY: 2261800 3987.6706 20399.7839 14462.8929 234.2898 -202997.6649 2394.4408 0.0000 0.0000 51989.5039 -109529.0831 298.7844 -161518.5870 -109159.2332 299.4276 -89.2379 -62.3138 761585.8821 12.4901 12.6185 PRESSURE: 2262000 -346.324 28.8648 2.23127 28.8644 -19.4532 -305.99 2.23034 -305.989 262.713 GPRESSURE: 2262000 -223.387 86.3052 46.2212 -18.1392 -8.74821 -315.158 -20.7368 -277.726 191.271 PRESSAVG: 2262000 -61.5094 24.9918 -31.3512 24.9919 51.462 -36.7167 -31.3512 -36.7167 24.6046 GPRESSAVG: 2262000 -62.4116 26.2874 -31.0558 27.5513 52.2197 -37.1782 -32.5473 -36.4879 24.848 TIMING: 2262000 CPU: 7147.91, 0.00314783/step Wall: 7147.91, 0.00314783/step, 2.3941 hours remaining, 237.453125 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: 2262000 3996.2421 20436.3323 14390.6750 223.3200 -203371.5441 2620.9763 0.0000 0.0000 51989.9597 -109714.0389 298.7870 -161703.9986 -109351.7342 298.7649 -34.3545 -13.6215 761039.4418 4.8524 4.8853 PRESSURE: 2262200 -123.532 -37.3851 -69.5378 -37.3853 -12.0176 6.7258 -69.5369 6.72521 -219.836 GPRESSURE: 2262200 -97.9839 -88.1505 -52.0202 -34.213 18.4352 17.7263 5.76664 14.8579 -213.955 PRESSAVG: 2262200 -42.9234 -29.1463 30.2889 -29.1463 43.4047 -16.1274 30.2889 -16.1274 17.3435 GPRESSAVG: 2262200 -41.9724 -28.2082 29.8021 -28.8699 42.6805 -15.6718 30.1325 -15.805 17.6273 TIMING: 2262200 CPU: 7148.54, 0.00314494/step Wall: 7148.54, 0.00314494/step, 2.39172 hours remaining, 237.453125 MB of memory in use. ENERGY: 2262200 4043.4037 20469.8527 14414.3289 236.9503 -203157.9928 2447.7624 0.0000 0.0000 51960.5426 -109585.1521 298.6180 -161545.6947 -109228.7379 298.9534 -118.4619 -97.8344 762335.5735 5.9416 6.1118 PRESSURE: 2262400 -175.977 -20.468 229.255 -20.4684 -292.74 254.569 229.255 254.569 -257.883 GPRESSURE: 2262400 -244.703 -11.3947 222.285 -54.8056 -186.768 277.74 262.782 161.042 -202.942 PRESSAVG: 2262400 -63.466 -61.3351 27.8476 -61.3351 22.1103 -12.902 27.8477 -12.9021 2.21298 GPRESSAVG: 2262400 -63.3062 -63.6744 29.0602 -61.4435 21.6747 -12.7279 27.0058 -12.9932 2.3303 TIMING: 2262400 CPU: 7149.17, 0.00314137/step Wall: 7149.17, 0.00314137/step, 2.38884 hours remaining, 237.453125 MB of memory in use. ENERGY: 2262400 4020.9708 20337.1710 14488.9459 242.7547 -203092.8715 2574.5038 0.0000 0.0000 51837.9354 -109590.5900 297.9133 -161428.5254 -109231.1826 298.8436 -242.2002 -211.4710 762538.2831 -13.0476 -13.1004 PRESSURE: 2262600 -414.028 58.3079 -119.57 58.3071 -612.33 -1.76784 -119.57 -1.76703 -942.884 GPRESSURE: 2262600 -505.185 100.764 -117.824 135.264 -504.485 57.5949 15.9161 -163.249 -856.141 PRESSAVG: 2262600 -42.6186 -40.2826 32.0218 -40.2825 42.9572 10.5899 32.0218 10.5898 -14.033 GPRESSAVG: 2262600 -43.0905 -40.7174 32.1751 -38.8139 43.0005 8.885 33.3638 9.91072 -13.2343 TIMING: 2262600 CPU: 7149.8, 0.00314207/step Wall: 7149.8, 0.00314207/step, 2.3892 hours remaining, 237.453125 MB of memory in use. ENERGY: 2262600 3986.6087 20355.8693 14462.8196 252.6382 -202848.3039 2099.6796 0.0000 0.0000 51577.1478 -110113.5406 296.4146 -161690.6884 -109751.2914 298.1413 -656.4139 -621.9369 764545.5096 -4.5648 -4.4414 PRESSURE: 2262800 379.857 -44.2088 -92.7095 -44.2093 -0.0514397 -99.5712 -92.7091 -99.5713 223.946 GPRESSURE: 2262800 371.654 -11.7703 -57.5012 -69.7315 85.6706 -135.679 -135.55 -32.1631 260.809 PRESSAVG: 2262800 -41.7727 0.686059 14.9239 0.686077 -3.16332 49.4408 14.9239 49.4407 -6.5866 GPRESSAVG: 2262800 -39.802 2.80176 13.149 0.550523 -5.42533 50.3549 16.1346 49.6739 -6.9087 TIMING: 2262800 CPU: 7150.42, 0.00312788/step Wall: 7150.42, 0.00312788/step, 2.37823 hours remaining, 237.453125 MB of memory in use. ENERGY: 2262800 3897.0830 20237.2116 14459.9624 234.3512 -203623.5456 2804.1770 0.0000 0.0000 51911.7533 -110079.0071 298.3376 -161990.7604 -109716.1468 297.4022 201.2505 239.3778 761345.0852 -17.1742 -17.3787 PRESSURE: 2263000 7.76387 -45.1192 59.1046 -45.1188 154.118 -39.3378 59.1041 -39.3383 337.186 GPRESSURE: 2263000 4.94662 -82.5899 39.4955 -82.9123 177.562 35.4652 76.8634 -18.2417 401.278 PRESSAVG: 2263000 2.13854 -79.5345 11.9104 -79.5346 41.5121 -12.4891 11.9104 -12.4891 23.8757 GPRESSAVG: 2263000 0.842399 -79.8579 13.7477 -81.4668 43.0269 -11.7873 9.10877 -12.4617 23.5859 TIMING: 2263000 CPU: 7151.05, 0.00314677/step Wall: 7151.05, 0.00314677/step, 2.39242 hours remaining, 237.453125 MB of memory in use. ENERGY: 2263000 4034.9446 20228.0025 14518.3808 266.9541 -203486.6570 2751.9970 0.0000 0.0000 52030.4953 -109655.8828 299.0200 -161686.3781 -109299.9637 297.9989 166.3560 194.5955 761682.9640 22.5088 22.4851 PRESSURE: 2263200 -106.89 -53.6349 218.068 -53.6352 28.7369 -29.9312 218.068 -29.9308 76.892 GPRESSURE: 2263200 -8.43329 -58.1173 220.726 91.7383 -0.901786 -69.8877 253.127 58.5519 92.2088 PRESSAVG: 2263200 4.92861 -61.895 -15.9608 -61.895 -35.4681 17.3873 -15.9608 17.3873 5.80065 GPRESSAVG: 2263200 5.7009 -63.6906 -19.0945 -60.2097 -35.8747 16.5486 -13.7065 18.7292 5.95506 TIMING: 2263200 CPU: 7151.69, 0.00316937/step Wall: 7151.69, 0.00316937/step, 2.40942 hours remaining, 237.453125 MB of memory in use. ENERGY: 2263200 3970.7545 20284.1775 14442.5362 230.8682 -203012.2317 2454.2997 0.0000 0.0000 52075.7493 -109553.8464 299.2800 -161629.5957 -109180.7606 298.5747 -0.4203 27.6246 763310.1417 -8.2463 -8.0729 PRESSURE: 2263400 50.0098 24.8143 -9.99411 24.8141 151.588 241.069 -9.99375 241.069 26.0594 GPRESSURE: 2263400 124.356 -48.6238 83.0072 -12.0417 111.12 240.315 -72.564 301.14 64.1543 PRESSAVG: 2263400 9.26209 -45.0458 -11.371 -45.0459 19.6301 40.9075 -11.371 40.9075 -5.74276 GPRESSAVG: 2263400 8.35016 -45.3913 -9.5107 -45.284 20.9286 40.2293 -13.2611 41.7892 -6.19635 TIMING: 2263400 CPU: 7152.31, 0.00313261/step Wall: 7152.31, 0.00313261/step, 2.3813 hours remaining, 237.453125 MB of memory in use. ENERGY: 2263400 3940.3660 20512.4428 14452.2284 252.9264 -203340.7537 2768.7169 0.0000 0.0000 51659.2506 -109754.8225 296.8864 -161414.0731 -109401.5109 298.1102 75.8856 99.8767 762095.5541 7.7165 7.6941 PRESSURE: 2263600 -46.782 -52.7812 12.9672 -52.7807 40.1842 108.954 12.9677 108.954 228.325 GPRESSURE: 2263600 1.6734 -5.69697 -74.6709 33.9429 60.3572 96.8768 4.62294 55.5641 259.808 PRESSAVG: 2263600 1.20726 -56.9917 -12.3574 -56.9918 0.0249618 17.5971 -12.3574 17.597 -23.2627 GPRESSAVG: 2263600 2.26572 -55.9816 -12.6668 -57.4275 -0.742978 18.3734 -12.1673 14.2071 -23.0726 TIMING: 2263600 CPU: 7152.94, 0.00313794/step Wall: 7152.94, 0.00313794/step, 2.38518 hours remaining, 237.453125 MB of memory in use. ENERGY: 2263600 3996.8698 20401.0705 14488.4262 269.6633 -203250.8124 2836.2841 0.0000 0.0000 51694.1398 -109564.3588 297.0869 -161258.4985 -109200.6215 298.1962 73.9092 107.2795 762198.3685 -7.3435 -7.1833 PRESSURE: 2263800 -8.83646 -175.486 59.8324 -175.486 -158.859 120.14 59.8336 120.141 -355.905 GPRESSURE: 2263800 59.0512 -191.017 92.7418 -104.044 -116.434 171.236 44.0906 140.521 -359.511 PRESSAVG: 2263800 -39.0526 -35.0624 -18.8688 -35.0624 11.4159 32.1824 -18.8688 32.1825 -6.84104 GPRESSAVG: 2263800 -39.2917 -32.7627 -18.7653 -37.5213 12.3878 33.4385 -19.9869 31.6891 -7.0632 TIMING: 2263800 CPU: 7153.57, 0.00314085/step Wall: 7153.57, 0.00314085/step, 2.38722 hours remaining, 237.453125 MB of memory in use. ENERGY: 2263800 3913.6185 20390.0965 14397.4279 242.5508 -202607.5404 2242.8035 0.0000 0.0000 51886.1686 -109534.8745 298.1905 -161421.0431 -109163.2352 298.1341 -174.5334 -138.9647 763813.4309 -11.4926 -11.3224 PRESSURE: 2264000 -161.863 -166.33 -347.213 -166.33 -48.2749 119.204 -347.213 119.204 11.9691 GPRESSURE: 2264000 -81.4556 -144.068 -304.712 -304.816 -74.8317 155.524 -347.634 94.5959 49.4921 PRESSAVG: 2264000 49.8061 -29.8963 -7.45855 -29.8964 -25.0871 16.4025 -7.45854 16.4025 -3.49387 GPRESSAVG: 2264000 51.1194 -30.8167 -6.38915 -26.4749 -26.3263 15.7334 -4.87295 17.1049 -3.60848 TIMING: 2264000 CPU: 7154.2, 0.00314401/step Wall: 7154.2, 0.00314401/step, 2.38945 hours remaining, 237.453125 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: 2264000 4029.8612 20452.4421 14474.8944 253.3825 -203386.5212 2742.0854 0.0000 0.0000 51995.9699 -109437.8856 298.8216 -161433.8555 -109076.3798 298.8092 -66.0563 -35.5984 762237.3135 7.0750 7.0616 PRESSURE: 2264200 -219.86 -134.506 -70.247 -134.506 25.2626 -240.192 -70.2464 -240.192 190.951 GPRESSURE: 2264200 -142.847 -82.1849 -113.999 -165.705 56.3342 -273.891 -21.7399 -133.104 174.329 PRESSAVG: 2264200 -2.72661 -89.9366 -17.7439 -89.9367 -3.18966 -5.57548 -17.7439 -5.57546 33.2366 GPRESSAVG: 2264200 -3.69022 -91.4973 -20.4377 -92.7076 -2.30456 -7.47207 -18.2952 -3.46926 33.3627 TIMING: 2264200 CPU: 7154.82, 0.00313774/step Wall: 7154.82, 0.00313774/step, 2.38451 hours remaining, 237.453125 MB of memory in use. ENERGY: 2264200 4099.5356 20465.1235 14459.9990 245.2377 -203194.0284 2820.6362 0.0000 0.0000 51859.5824 -109243.9139 298.0377 -161103.4963 -108885.3846 299.1342 -1.2155 29.2720 762406.4345 9.1068 9.1227 LDB: ============= START OF LOAD BALANCING ============== 7167.35 LDB: ============== END OF LOAD BALANCING =============== 7167.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7167.36 LDB: ============= START OF LOAD BALANCING ============== 7167.67 LDB: Largest compute 7078 load 0.029601 is 15.1% of average load 0.195470 LDB: Average compute 0.004389 is 2.2% of average load 0.195470 LDB: TIME 7167.68 LOAD: AVG 0.19547 MAX 0.213594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.551 MB LDB: TIME 7167.68 LOAD: AVG 0.19547 MAX 0.213594 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.809 MB LDB: TIME 7167.68 LOAD: AVG 0.19547 MAX 0.213594 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.809 MB LDB: ============== END OF LOAD BALANCING =============== 7167.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7167.68 PRESSURE: 2264400 -64.5434 20.0021 82.2554 20.0022 311.598 21.5852 82.2567 21.5864 237.104 GPRESSURE: 2264400 111.77 -47.0511 212.386 37.6152 179.835 32.2975 19.6678 25.0255 286.908 PRESSAVG: 2264400 16.9419 -62.2061 -29.0694 -62.206 20.6624 54.2787 -29.0694 54.2788 -0.815817 GPRESSAVG: 2264400 16.8183 -62.4659 -27.7068 -57.8862 19.387 56.5481 -29.2784 51.8721 0.474089 TIMING: 2264400 CPU: 7155.47, 0.00320937/step Wall: 7155.47, 0.00320937/step, 2.43877 hours remaining, 235.578125 MB of memory in use. ENERGY: 2264400 3922.4547 20499.4407 14524.5288 252.6399 -203525.1356 2702.8210 0.0000 0.0000 52246.9731 -109376.2775 300.2641 -161623.2505 -109021.7551 299.3414 161.3863 192.8374 762252.3424 12.2628 12.2264 PRESSURE: 2264600 122.401 -40.1571 270.844 -40.1567 -82.8512 125.264 270.844 125.266 51.3468 GPRESSURE: 2264600 128.683 -30.6739 218.558 -125.743 28.2594 72.1821 231.011 1.76095 23.443 PRESSAVG: 2264600 -11.5669 -60.1574 -23.8038 -60.1574 -8.22343 8.74946 -23.8039 8.7495 -20.908 GPRESSAVG: 2264600 -12.0699 -60.1335 -22.7162 -62.6183 -7.37271 7.74773 -24.8456 11.3739 -20.5011 TIMING: 2264600 CPU: 7156.09, 0.00313727/step Wall: 7156.09, 0.00313727/step, 2.3838 hours remaining, 235.644531 MB of memory in use. ENERGY: 2264600 4051.1829 20516.3748 14386.3659 236.5218 -203112.6291 2732.2029 0.0000 0.0000 51994.0843 -109195.8966 298.8107 -161189.9809 -108828.2374 299.4877 30.2990 60.1285 763763.0468 -13.5661 -13.3146 PRESSURE: 2264800 129.275 -171.422 47.0832 -171.421 193.718 137.49 47.0834 137.49 -65.5819 GPRESSURE: 2264800 124.115 -144.864 133.298 -105.974 258.19 111.786 191.927 71.9447 -47.0005 PRESSAVG: 2264800 -31.0578 -57.3634 25.3733 -57.3635 -10.9312 10.6893 25.3733 10.6892 34.4001 GPRESSAVG: 2264800 -30.3564 -56.8664 25.0255 -59.1747 -10.2541 12.2997 26.0615 8.18383 32.5944 TIMING: 2264800 CPU: 7156.72, 0.00314733/step Wall: 7156.72, 0.00314733/step, 2.39127 hours remaining, 235.644531 MB of memory in use. ENERGY: 2264800 4072.5482 20551.3106 14421.5139 276.5432 -203644.7109 3043.5835 0.0000 0.0000 52129.5115 -109149.7002 299.5890 -161279.2117 -108795.1700 299.8887 85.8036 111.7680 760805.1692 -2.5296 -2.6720 PRESSURE: 2265000 53.8656 53.8681 84.938 53.8691 12.0566 -87.6117 84.9372 -87.6117 207.22 GPRESSURE: 2265000 147.02 177.895 119.698 -11.8535 6.33726 -120.348 -98.863 -145.207 213.655 PRESSAVG: 2265000 -23.4745 -8.3219 9.73079 -8.32192 20.6696 11.2503 9.73084 11.2504 -10.8196 GPRESSAVG: 2265000 -24.4284 -7.85779 8.31919 -8.08517 19.7224 10.6832 10.7925 13.0058 -9.82972 TIMING: 2265000 CPU: 7157.35, 0.00314265/step Wall: 7157.35, 0.00314265/step, 2.38754 hours remaining, 235.644531 MB of memory in use. ENERGY: 2265000 3937.1746 20495.7911 14460.3194 261.1690 -203388.8453 2812.1250 0.0000 0.0000 52174.2752 -109247.9909 299.8463 -161422.2661 -108877.5858 299.7406 91.0476 122.3376 762532.8633 -4.5415 -4.8453 PRESSURE: 2265200 15.4849 -167.51 -2.21424 -167.51 -20.4787 -0.0843705 -2.21434 -0.0849143 -109.053 GPRESSURE: 2265200 94.8383 -98.2534 -43.364 -188.488 -65.1038 5.09263 -71.5863 24.8622 -64.6893 PRESSAVG: 2265200 30.1415 -68.6069 -6.30797 -68.6069 -60.07 -31.6798 -6.30793 -31.6797 -12.2503 GPRESSAVG: 2265200 31.4148 -71.3103 -3.74499 -67.2151 -59.5399 -30.9683 -8.79961 -34.1057 -13.2226 TIMING: 2265200 CPU: 7157.98, 0.00315045/step Wall: 7157.98, 0.00315045/step, 2.39329 hours remaining, 235.644531 MB of memory in use. ENERGY: 2265200 3995.1852 20562.8003 14500.8900 245.4904 -203286.7976 2610.2189 0.0000 0.0000 52093.5108 -109278.7019 299.3821 -161372.2127 -108926.1220 299.2409 -38.0155 -11.6516 761539.5715 -14.0596 -13.7826 PRESSURE: 2265400 -313.973 -333.469 -136.154 -333.468 226.75 -12.415 -136.155 -12.4153 -300.114 GPRESSURE: 2265400 -251.164 -248.413 -117.912 -200.201 194.514 -57.2868 -91.2453 32.074 -235.821 PRESSAVG: 2265400 -24.1591 -96.9517 -5.22781 -96.9517 32.3161 -3.03023 -5.22774 -3.03026 14.2502 GPRESSAVG: 2265400 -25.3208 -95.3264 -5.24211 -97.1024 32.4766 -4.58421 -5.01359 -1.78948 14.8577 TIMING: 2265400 CPU: 7158.61, 0.00313675/step Wall: 7158.61, 0.00313675/step, 2.38271 hours remaining, 235.644531 MB of memory in use. ENERGY: 2265400 3982.7661 20412.2554 14426.6675 260.2136 -203076.4823 2364.8221 0.0000 0.0000 52369.3151 -109260.4425 300.9672 -161629.7576 -108888.9384 299.8000 -129.1122 -97.4905 761219.5798 7.4691 7.3378 PRESSURE: 2265600 8.19513 -120.494 163.015 -120.494 -170.828 -43.3263 163.015 -43.3265 260.584 GPRESSURE: 2265600 58.7385 -224.425 123.31 -25.0351 -186.846 20.2388 208.725 -44.7605 310.411 PRESSAVG: 2265600 -5.13704 -63.4837 -15.972 -63.4837 -15.9873 31.8642 -15.972 31.8642 -11.1043 GPRESSAVG: 2265600 -5.52461 -63.3481 -18.404 -63.951 -15.4017 31.0386 -15.0869 32.5054 -11.4052 TIMING: 2265600 CPU: 7159.24, 0.00312969/step Wall: 7159.24, 0.00312969/step, 2.37717 hours remaining, 235.644531 MB of memory in use. ENERGY: 2265600 4066.9324 20524.7660 14462.6840 247.6068 -202925.9109 2469.1287 0.0000 0.0000 52060.4113 -109094.3816 299.1919 -161154.7929 -108723.4276 299.8839 32.6504 60.7677 762423.9696 -10.7429 -10.7772 PRESSURE: 2265800 226.151 -121.106 122.128 -121.106 469.323 92.7571 122.128 92.7569 -101.325 GPRESSURE: 2265800 322.983 -66.9469 161.015 -152.643 355.916 3.78088 208.344 183.917 -12.3854 PRESSAVG: 2265800 -19.6654 -18.2591 -8.8105 -18.259 64.8557 28.3329 -8.81052 28.3329 -13.2945 GPRESSAVG: 2265800 -19.0732 -17.3211 -7.29926 -18.4172 64.305 29.1156 -9.64537 25.8902 -13.0635 TIMING: 2265800 CPU: 7159.87, 0.00315746/step Wall: 7159.87, 0.00315747/step, 2.39809 hours remaining, 235.644531 MB of memory in use. ENERGY: 2265800 3987.9025 20661.0750 14440.3434 250.7148 -203611.9755 2832.6882 0.0000 0.0000 52119.6899 -109319.5617 299.5326 -161439.2516 -108953.1150 300.0157 198.0501 222.1710 760380.8999 10.6319 10.7228 PRESSURE: 2266000 271.749 11.9095 -32.8463 11.9103 -119.624 20.9858 -32.8453 20.9875 207.428 GPRESSURE: 2266000 208.536 -65.0885 -47.0135 -62.5853 -0.0920229 2.1993 -46.942 14.0963 244.996 PRESSAVG: 2266000 2.04162 -44.9174 7.62088 -44.9174 14.9004 31.4063 7.62082 31.4064 14.3962 GPRESSAVG: 2266000 0.730256 -45.9528 6.34006 -44.5634 14.1569 31.0607 7.54041 35.3817 15.8447 TIMING: 2266000 CPU: 7160.5, 0.00315373/step Wall: 7160.5, 0.00315373/step, 2.39509 hours remaining, 235.644531 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: 2266000 3994.4347 20412.5476 14539.6937 237.0205 -203148.0006 2643.1022 0.0000 0.0000 52028.1106 -109293.0912 299.0063 -161321.2018 -108915.2100 299.1775 119.8510 151.1466 762245.3032 10.4461 10.2440 PRESSURE: 2266200 -14.3692 73.3112 -138.896 73.3103 -32.2124 214.392 -138.896 214.39 311.283 GPRESSURE: 2266200 -14.5581 81.163 -57.6908 50.9879 96.2082 245.095 -180.819 199.401 267.101 PRESSAVG: 2266200 -6.66053 19.5556 -16.9108 19.5556 4.40923 23.8666 -16.9109 23.8666 -9.07127 GPRESSAVG: 2266200 -6.22486 19.1864 -15.9123 19.5246 5.8933 25.6333 -15.5197 20.0975 -10.6952 TIMING: 2266200 CPU: 7161.13, 0.00314613/step Wall: 7161.13, 0.00314613/step, 2.38914 hours remaining, 235.644531 MB of memory in use. ENERGY: 2266200 3906.0914 20461.6439 14463.8691 232.9106 -203648.9568 2895.4879 0.0000 0.0000 52149.8552 -109539.0986 299.7059 -161688.9538 -109177.9400 299.2242 88.2337 116.2503 761899.0486 -3.7742 -3.6756 PRESSURE: 2266400 11.853 -57.9368 -65.4595 -57.9367 80.9609 -191.422 -65.4589 -191.421 -175.628 GPRESSURE: 2266400 115.52 -51.3262 -90.5898 -64.6796 36.7453 -220.442 -50.6996 -267.151 -157.287 PRESSAVG: 2266400 26.4939 -17.9402 16.131 -17.9401 -4.69142 -15.6307 16.131 -15.6307 3.56516 GPRESSAVG: 2266400 27.9904 -16.4067 16.4643 -18.0372 -6.08454 -17.8156 15.667 -13.0099 3.49695 TIMING: 2266400 CPU: 7161.76, 0.00314438/step Wall: 7161.76, 0.00314438/step, 2.38763 hours remaining, 235.644531 MB of memory in use. ENERGY: 2266400 3901.3954 20534.3080 14515.9299 227.3392 -203426.8659 2545.3705 0.0000 0.0000 52213.0901 -109489.4329 300.0693 -161702.5229 -109129.9459 299.4226 -27.6047 -1.6738 760989.2707 8.4559 8.4676 PRESSURE: 2266600 38.8321 -100.392 184.067 -100.392 208.222 -2.47139 184.068 -2.47153 -151.474 GPRESSURE: 2266600 58.1636 -117.567 192.967 -29.6889 191.47 30.9678 98.0774 24.1702 -73.4309 PRESSAVG: 2266600 8.12732 -6.40859 38.9914 -6.40859 13.6372 0.0166596 38.9914 0.0165961 -8.31328 GPRESSAVG: 2266600 6.23775 -7.64756 37.8708 -6.9105 14.3801 1.18616 39.4343 -0.170411 -7.82455 TIMING: 2266600 CPU: 7162.39, 0.00316551/step Wall: 7162.39, 0.00316551/step, 2.4035 hours remaining, 235.644531 MB of memory in use. ENERGY: 2266600 3916.7654 20420.2449 14450.6035 229.8344 -203305.5177 2621.9894 0.0000 0.0000 51944.9778 -109721.1023 298.5285 -161666.0801 -109358.7212 299.0326 31.8599 58.7342 760493.3394 4.4837 4.2645 PRESSURE: 2266800 -71.6762 25.6726 159.374 25.6724 -101.022 99.5842 159.373 99.584 -237.907 GPRESSURE: 2266800 -91.5683 31.0011 208.093 148.016 -1.10661 99.5376 174.962 83.1043 -225.799 PRESSAVG: 2266800 3.03687 13.1792 12.956 13.1792 11.0407 19.3321 12.956 19.3321 -11.6361 GPRESSAVG: 2266800 3.86309 13.6653 13.3141 14.3668 10.3621 18.2405 12.0454 18.5579 -12.0652 TIMING: 2266800 CPU: 7163.02, 0.00315954/step Wall: 7163.02, 0.00315954/step, 2.39879 hours remaining, 235.644531 MB of memory in use. ENERGY: 2266800 4019.2502 20429.9058 14466.9648 245.6556 -203123.2925 2483.5182 0.0000 0.0000 51807.3469 -109670.6510 297.7375 -161477.9979 -109309.7446 298.6660 -136.8686 -106.1581 762126.8917 0.8138 0.7200 PRESSURE: 2267000 123.581 37.8523 -28.7336 37.8533 3.71763 58.3943 -28.7328 58.3945 390.715 GPRESSURE: 2267000 98.3814 26.4682 61.6108 62.6911 83.4997 67.0825 -38.7073 23.0284 416.738 PRESSAVG: 2267000 33.8936 -2.8766 13.394 -2.87657 -19.4726 -17.4847 13.3939 -17.4848 -17.144 GPRESSAVG: 2267000 32.857 -5.03171 12.5477 -3.30993 -18.8757 -16.7927 13.0106 -18.1783 -17.4716 TIMING: 2267000 CPU: 7163.66, 0.00319693/step Wall: 7163.66, 0.00319693/step, 2.427 hours remaining, 235.644531 MB of memory in use. ENERGY: 2267000 3930.2892 20538.9273 14519.1489 240.2752 -203614.1766 2668.6869 0.0000 0.0000 52035.2311 -109681.6179 299.0472 -161716.8490 -109316.8037 298.6596 172.6711 199.5398 758800.0064 -0.9077 -1.1634 PRESSURE: 2267200 -129.254 -82.7315 -88.1734 -82.732 -64.1384 -4.39269 -88.1731 -4.39191 -8.57245 GPRESSURE: 2267200 -140.015 11.4358 -80.6658 -56.1539 -18.4155 16.6243 -162.953 -88.329 52.0443 PRESSAVG: 2267200 52.0119 35.2557 -5.33208 35.2557 -41.5184 32.1805 -5.33206 32.1805 -20.4337 GPRESSAVG: 2267200 52.8924 37.0551 -5.19862 36.0443 -42.9659 33.7577 -4.22677 32.7891 -20.4077 TIMING: 2267200 CPU: 7164.29, 0.00315373/step Wall: 7164.29, 0.00315373/step, 2.39403 hours remaining, 235.644531 MB of memory in use. ENERGY: 2267200 3929.6793 20594.5549 14494.9257 236.6202 -203244.1454 2426.8369 0.0000 0.0000 51923.9673 -109637.5611 298.4078 -161561.5284 -109280.0761 298.7359 -67.3218 -35.4620 762204.2299 -3.3134 -3.4937 PRESSURE: 2267400 -385.114 -109.963 -11.3673 -109.964 344.091 132.673 -11.3675 132.673 -84.065 GPRESSURE: 2267400 -325.889 24.5536 83.0061 -176.717 350.242 140.173 115.002 121.375 -71.2259 PRESSAVG: 2267400 10.8763 -5.26174 -45.8238 -5.26171 -34.1017 23.5332 -45.8238 23.5332 23.3021 GPRESSAVG: 2267400 11.1312 -5.53149 -44.7612 -7.4583 -34.1591 23.5192 -46.1496 23.0198 22.7265 TIMING: 2267400 CPU: 7164.92, 0.00313543/step Wall: 7164.92, 0.00313543/step, 2.37997 hours remaining, 235.644531 MB of memory in use. ENERGY: 2267400 3945.3061 20367.9522 14497.1554 238.7315 -203686.1414 2731.9336 0.0000 0.0000 52103.2515 -109801.8111 299.4381 -161905.0626 -109434.8303 298.6239 -41.6961 -15.6243 761032.3613 0.0256 -0.1004 PRESSURE: 2267600 -382.686 153.026 -79.031 153.025 -549.849 78.597 -79.0312 78.5975 192.45 GPRESSURE: 2267600 -349.752 158.195 -18.8355 173.07 -482.257 60.0436 -178.058 121.181 176.946 PRESSAVG: 2267600 -6.68593 3.89963 3.71587 3.89966 6.84818 44.048 3.7159 44.0479 -12.3266 GPRESSAVG: 2267600 -8.20734 4.72319 2.16328 5.68493 8.40877 43.1699 5.31633 45.7917 -12.0896 TIMING: 2267600 CPU: 7165.55, 0.00315685/step Wall: 7165.55, 0.00315685/step, 2.39605 hours remaining, 235.644531 MB of memory in use. ENERGY: 2267600 3936.4068 20363.9411 14451.0447 237.8848 -203269.7292 2394.8539 0.0000 0.0000 51692.4002 -110193.1977 297.0769 -161885.5979 -109828.0650 298.1516 -246.6952 -218.3542 760251.8424 -4.0548 -3.9627 PRESSURE: 2267800 24.3609 -51.5234 -332.264 -51.5236 59.7523 146.367 -332.264 146.369 133.919 GPRESSURE: 2267800 58.3278 -13.4931 -366.554 -16.1245 37.8281 102.072 -219.678 47.6659 207.496 PRESSAVG: 2267800 -52.2534 -31.7668 12.3982 -31.7668 47.6885 12.4705 12.3981 12.4705 -7.23959 GPRESSAVG: 2267800 -51.3366 -32.9178 12.748 -32.8248 46.4679 11.3854 10.6412 11.1568 -7.4318 TIMING: 2267800 CPU: 7166.18, 0.00315556/step Wall: 7166.18, 0.00315556/step, 2.3949 hours remaining, 235.644531 MB of memory in use. ENERGY: 2267800 3922.1280 20345.0020 14441.0025 226.3902 -203937.4170 2914.2189 0.0000 0.0000 52059.3244 -110029.3510 299.1857 -162088.6754 -109668.4573 298.1635 72.6774 101.2172 760455.8745 -3.9348 -4.1001 PRESSURE: 2268000 -122.21 -305.061 54.6108 -305.061 333.699 -88.7957 54.6114 -88.7977 -495.655 GPRESSURE: 2268000 -74.9652 -311.657 87.2241 -316.345 375.426 -76.5628 23.7031 -139.006 -482.072 PRESSAVG: 2268000 -42.8914 -59.3873 26.3037 -59.3874 17.449 -2.33945 26.3037 -2.33945 10.5024 GPRESSAVG: 2268000 -44.1609 -58.4572 26.9733 -58.5716 17.8558 -1.30372 27.138 -2.20499 11.2336 TIMING: 2268000 CPU: 7166.81, 0.00312977/step Wall: 7166.81, 0.00312977/step, 2.37515 hours remaining, 235.644531 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: 2268000 4032.8347 20458.8535 14391.3524 256.8069 -203597.9835 2762.8011 0.0000 0.0000 51814.3464 -109880.9884 297.7778 -161695.3348 -109515.2502 297.4329 -94.7220 -60.5373 759481.2157 -4.9800 -5.0238 PRESSURE: 2268200 100.564 59.6632 -109.799 59.6632 38.5955 -62.4092 -109.799 -62.4096 -45.8695 GPRESSURE: 2268200 187.328 -36.2303 -121.819 126.787 23.2888 -11.4106 -97.5485 142.708 -68.0803 PRESSAVG: 2268200 -11.8754 -42.2245 12.1525 -42.2245 6.59982 36.1352 12.1524 36.1352 19.1579 GPRESSAVG: 2268200 -10.174 -42.0373 10.7836 -42.673 5.84434 34.794 12.6138 37.2581 18.1772 TIMING: 2268200 CPU: 7167.44, 0.00315068/step Wall: 7167.44, 0.00315068/step, 2.39084 hours remaining, 235.644531 MB of memory in use. ENERGY: 2268200 3957.2053 20396.6035 14475.8795 211.1566 -203284.9817 2606.0808 0.0000 0.0000 51854.2988 -109783.7572 298.0074 -161638.0559 -109422.3062 297.4575 31.0967 47.5121 762336.7731 4.6274 4.6159 LDB: ============= START OF LOAD BALANCING ============== 7179.97 LDB: ============== END OF LOAD BALANCING =============== 7179.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7179.97 LDB: ============= START OF LOAD BALANCING ============== 7180.29 LDB: Largest compute 7031 load 0.031595 is 16.2% of average load 0.195551 LDB: Average compute 0.004364 is 2.2% of average load 0.195551 LDB: TIME 7180.29 LOAD: AVG 0.195551 MAX 0.216238 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.645 MB LDB: TIME 7180.29 LOAD: AVG 0.195551 MAX 0.216238 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.645 MB LDB: TIME 7180.29 LOAD: AVG 0.195551 MAX 0.216238 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.645 MB LDB: ============== END OF LOAD BALANCING =============== 7180.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7180.3 PRESSURE: 2268400 181.949 -82.5857 -150.847 -82.5867 296.681 -56.4083 -150.846 -56.4072 565.931 GPRESSURE: 2268400 282.736 -51.3651 -63.3204 30.2012 231.383 21.114 -114.645 -52.4126 603.009 PRESSAVG: 2268400 -31.7069 -26.6713 -3.2816 -26.6713 -1.13449 62.6847 -3.28154 62.6848 -11.5179 GPRESSAVG: 2268400 -32.1014 -28.6091 -0.140226 -25.1101 -0.610424 63.0999 -5.04336 60.8339 -11.6856 TIMING: 2268400 CPU: 7168.08, 0.00322185/step Wall: 7168.08, 0.00322185/step, 2.44467 hours remaining, 234.097656 MB of memory in use. ENERGY: 2268400 3948.2070 20565.2861 14469.3090 239.3453 -204146.4613 3249.5111 0.0000 0.0000 51917.6374 -109757.1654 298.3714 -161674.8028 -109397.8240 298.1837 348.1874 372.3761 760337.0824 -14.7864 -14.7991 PRESSURE: 2268600 152.318 246.881 -203.538 246.881 296.329 338.52 -203.538 338.52 502.27 GPRESSURE: 2268600 287.96 242.84 -104.65 117.483 244.211 282.386 -168.341 306.018 499.066 PRESSAVG: 2268600 35.1173 5.23952 -35.1963 5.23949 -8.6873 49.268 -35.1963 49.2681 0.517077 GPRESSAVG: 2268600 36.5863 7.46955 -35.6348 4.61763 -9.23711 48.5362 -36.2097 50.8475 -0.122727 TIMING: 2268600 CPU: 7168.72, 0.00317069/step Wall: 7168.72, 0.00317069/step, 2.40567 hours remaining, 234.097656 MB of memory in use. ENERGY: 2268600 3949.9370 20498.0340 14482.2059 270.2814 -203712.3088 2687.3549 0.0000 0.0000 51985.4809 -109839.0147 298.7613 -161824.4957 -109467.5238 298.7144 316.9725 343.7455 759720.3060 8.9824 9.0755 PRESSURE: 2268800 -395.405 96.0506 350.292 96.0511 -329.877 -10.2359 350.292 -10.2361 45.4914 GPRESSURE: 2268800 -367.035 143.555 374.813 97.6701 -238.71 -1.53227 361.49 -84.458 26.8749 PRESSAVG: 2268800 -52.0131 5.25798 -10.1699 5.25795 0.536681 30.5468 -10.1699 30.5468 -1.66535 GPRESSAVG: 2268800 -53.9798 2.76687 -11.691 5.49852 1.09283 30.0052 -8.56304 32.2404 -0.255731 TIMING: 2268800 CPU: 7169.35, 0.00317526/step Wall: 7169.35, 0.00317526/step, 2.40897 hours remaining, 234.167969 MB of memory in use. ENERGY: 2268800 4007.5928 20472.7349 14445.4884 254.5768 -203398.8916 2660.9555 0.0000 0.0000 51821.3133 -109736.2298 297.8178 -161557.5431 -109389.5330 298.2022 -226.5971 -192.9568 762540.6494 -17.7139 -17.7142 PRESSURE: 2269000 32.7452 68.4826 -16.4433 68.4828 120.88 36.9257 -16.4428 36.9261 0.378307 GPRESSURE: 2269000 106.096 65.4708 52.0632 38.1489 7.17027 -4.51144 44.664 -16.0907 114.744 PRESSAVG: 2269000 -45.665 37.6052 -27.8274 37.6052 6.98682 48.0021 -27.8274 48.0021 -17.506 GPRESSAVG: 2269000 -44.041 36.9463 -26.9025 36.0436 5.77573 49.9982 -27.2148 44.9169 -17.8669 TIMING: 2269000 CPU: 7169.98, 0.00315482/step Wall: 7169.98, 0.00315482/step, 2.39328 hours remaining, 234.238281 MB of memory in use. ENERGY: 2269000 3975.6902 20576.7092 14455.6170 245.1542 -203776.1849 2809.4183 0.0000 0.0000 51915.1243 -109798.4718 298.3569 -161713.5960 -109432.9088 298.2416 51.3344 76.0035 761280.5215 -18.7281 -18.7108 PRESSURE: 2269200 354.039 -102.315 11.1492 -102.314 282.796 78.2075 11.1491 78.2077 130.865 GPRESSURE: 2269200 272.335 -6.26506 -3.42868 -137.579 350.002 82.1565 -125.054 35.9387 254.145 PRESSAVG: 2269200 -16.7302 15.6069 23.8096 15.607 1.99118 10.9474 23.8096 10.9473 -5.54242 GPRESSAVG: 2269200 -17.4183 17.5281 24.0439 17.0344 2.64654 10.7063 24.3328 11.2474 -4.89227 TIMING: 2269200 CPU: 7170.61, 0.00315112/step Wall: 7170.61, 0.00315112/step, 2.3903 hours remaining, 234.238281 MB of memory in use. ENERGY: 2269200 3930.1637 20330.9808 14446.9259 233.7306 -203562.8533 2974.5226 0.0000 0.0000 51994.6380 -109651.8917 298.8139 -161646.5298 -109289.1714 298.4077 255.9002 292.1606 761753.9122 -6.7605 -6.5547 PRESSURE: 2269400 87.4575 235.007 -131.266 235.006 -52.6895 -190.879 -131.266 -190.879 -25.0958 GPRESSURE: 2269400 82.9294 247.157 -45.235 323.822 37.9004 -254.064 -95.2654 -101.872 -33.1466 PRESSAVG: 2269400 -0.340779 43.4225 56.5162 43.4225 -9.18073 67.8333 56.5163 67.8332 2.68035 GPRESSAVG: 2269400 -0.332182 43.9753 55.3443 42.7373 -8.70028 67.7325 57.0782 68.2805 2.3781 TIMING: 2269400 CPU: 7171.24, 0.00313365/step Wall: 7171.24, 0.00313365/step, 2.37687 hours remaining, 234.238281 MB of memory in use. ENERGY: 2269400 3941.9453 20525.5468 14385.5778 245.0630 -203504.9814 2889.5224 0.0000 0.0000 51833.9279 -109683.3982 297.8903 -161517.3262 -109333.6872 298.3954 3.2241 29.2278 761633.6530 -2.2804 -2.2181 PRESSURE: 2269600 44.0068 -108.138 225.795 -108.137 -67.6903 -195.323 225.795 -195.323 152.994 GPRESSURE: 2269600 41.2315 -135.242 217.322 -165.726 10.67 -157.982 211.983 -97.9816 159.034 PRESSAVG: 2269600 19.8156 4.03154 36.6684 4.03153 -38.5558 58.6681 36.6683 58.6681 -5.93054 GPRESSAVG: 2269600 19.4402 1.45136 38.0835 4.75357 -38.4679 58.3501 34.6739 57.6085 -5.90761 TIMING: 2269600 CPU: 7171.87, 0.00314831/step Wall: 7171.87, 0.00314831/step, 2.38782 hours remaining, 234.238281 MB of memory in use. ENERGY: 2269600 3979.9408 20543.9455 14393.1321 235.0071 -203180.5262 2644.7979 0.0000 0.0000 51919.8406 -109463.8623 298.3840 -161383.7029 -109105.3073 299.0339 43.1035 70.3117 762836.6645 -8.2236 -8.3117 PRESSURE: 2269800 53.555 160.508 61.2026 160.508 -106.421 30.9352 61.2032 30.9368 34.1333 GPRESSURE: 2269800 -14.6427 172.39 50.3799 123.978 43.6012 51.5275 -32.5009 74.0938 23.966 PRESSAVG: 2269800 41.268 -22.6051 47.5506 -22.605 -18.4382 26.8865 47.5506 26.8865 24.0267 GPRESSAVG: 2269800 41.3849 -20.1588 46.304 -23.4692 -17.6111 28.727 48.7364 28.1741 23.0021 TIMING: 2269800 CPU: 7172.49, 0.00313019/step Wall: 7172.49, 0.00313019/step, 2.3739 hours remaining, 234.238281 MB of memory in use. ENERGY: 2269800 3954.5193 20413.3226 14470.0138 220.9057 -203587.0177 2956.2057 0.0000 0.0000 52147.1668 -109424.8838 299.6905 -161572.0506 -109067.0337 298.8238 -6.2441 17.6415 763390.5126 15.6188 15.5920 PRESSURE: 2270000 39.1014 -56.2621 141.913 -56.2616 -252.837 89.3154 141.913 89.3148 67.1985 GPRESSURE: 2270000 52.6696 -9.59053 73.5273 -86.4012 -154.714 43.4704 126.481 107.819 47.747 PRESSAVG: 2270000 -2.37145 -35.9112 28.4275 -35.9111 -15.8662 -6.17236 28.4275 -6.17238 22.2978 GPRESSAVG: 2270000 -1.46255 -35.9426 28.3692 -37.0931 -16.5077 -6.83223 27.0991 -4.93236 22.4678 TIMING: 2270000 CPU: 7173.12, 0.00314411/step Wall: 7173.12, 0.00314411/step, 2.38428 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: 2270000 3984.5064 20560.0864 14438.6426 216.6821 -203341.0828 2734.0125 0.0000 0.0000 52047.5191 -109359.6337 299.1178 -161407.1528 -109007.3664 299.0511 -48.8458 -18.0991 761317.3973 1.3534 1.4992 PRESSURE: 2270200 173.558 -84.0422 -62.2571 -84.0408 185.161 -89.8992 -62.2572 -89.8999 -26.5057 GPRESSURE: 2270200 146.796 -106.307 -92.9726 -50.2629 267.087 -54.6581 -146.869 -188.528 6.48873 PRESSAVG: 2270200 51.9501 11.5302 37.8024 11.5302 12.9933 -17.0702 37.8024 -17.0702 2.59542 GPRESSAVG: 2270200 49.5555 13.054 37.1476 13.3312 13.7425 -16.7415 38.9967 -18.1198 3.70775 TIMING: 2270200 CPU: 7173.75, 0.00314569/step Wall: 7173.75, 0.00314569/step, 2.38531 hours remaining, 234.238281 MB of memory in use. ENERGY: 2270200 4037.5008 20369.5011 14505.8096 248.0299 -203476.9282 2847.4574 0.0000 0.0000 52089.2365 -109379.3929 299.3576 -161468.6295 -109016.7095 299.0996 110.7378 140.1238 761614.7036 22.5130 22.3352 PRESSURE: 2270400 -121.491 -50.9447 44.3604 -50.9444 -490.293 59.8693 44.3605 59.8696 -450.673 GPRESSURE: 2270400 -119.239 -23.0265 36.2841 -164.567 -454.482 68.9424 73.8189 130.431 -421.872 PRESSAVG: 2270400 -7.03517 -13.9769 29.4467 -13.9769 11.8467 13.0966 29.4468 13.0965 32.9638 GPRESSAVG: 2270400 -7.60399 -15.8181 30.6521 -14.2106 12.2276 12.1501 27.9947 10.9749 33.0422 TIMING: 2270400 CPU: 7174.38, 0.00314576/step Wall: 7174.38, 0.00314576/step, 2.38518 hours remaining, 234.238281 MB of memory in use. ENERGY: 2270400 4035.0342 20577.9119 14485.7596 261.1484 -203379.0188 2690.8490 0.0000 0.0000 51912.1905 -109416.1251 298.3401 -161328.3156 -109058.0522 298.6997 -354.1524 -331.8641 762770.9077 12.5918 12.5553 PRESSURE: 2270600 106.431 -73.3822 -155.178 -73.3807 485.891 219.715 -155.178 219.716 382.933 GPRESSURE: 2270600 228.507 -140.036 -53.0042 -52.7012 460.598 217.357 -176.38 127.634 358.731 PRESSAVG: 2270600 -52.0883 -62.856 22.3059 -62.8559 46.9793 75.3313 22.3058 75.3313 -5.1835 GPRESSAVG: 2270600 -49.2287 -60.287 22.4357 -62.7769 45.8983 75.1777 24.2397 76.24 -6.8667 TIMING: 2270600 CPU: 7175.01, 0.00315641/step Wall: 7175.01, 0.00315641/step, 2.39309 hours remaining, 234.238281 MB of memory in use. ENERGY: 2270600 3934.9621 20467.0602 14458.4130 227.9443 -203446.0053 2978.1983 0.0000 0.0000 52045.3085 -109334.1189 299.1051 -161379.4274 -108966.5874 299.1248 325.0853 349.2786 762878.6782 -3.4308 -3.3990 PRESSURE: 2270800 -116.871 62.5915 -181.413 62.591 -168.836 -237.711 -181.413 -237.711 -354.497 GPRESSURE: 2270800 -167.958 2.25931 -253.314 66.9283 -32.2236 -308.977 -107.688 -185.037 -381.895 PRESSAVG: 2270800 -78.5679 1.92054 84.3221 1.92051 35.6859 28.3329 84.3221 28.3329 6.27038 GPRESSAVG: 2270800 -79.5555 0.643317 84.1887 1.13809 36.1393 28.5814 81.788 27.9953 7.53445 TIMING: 2270800 CPU: 7175.64, 0.00315283/step Wall: 7175.64, 0.00315283/step, 2.3902 hours remaining, 234.238281 MB of memory in use. ENERGY: 2270800 3940.6148 20472.6918 14321.6954 262.7878 -203621.0016 2838.3675 0.0000 0.0000 52396.6703 -109388.1740 301.1244 -161784.8443 -109020.9639 299.1167 -213.4013 -194.0256 764817.5915 -12.2039 -11.9606 PRESSURE: 2271000 -216.116 -121.837 -289.003 -121.838 -356.067 -254.243 -289.003 -254.244 -335.129 GPRESSURE: 2271000 -216.119 -93.0869 -293.38 -143.923 -286.408 -328 -282.344 -233.685 -305.726 PRESSAVG: 2271000 -42.2872 1.66453 3.94875 1.6645 65.1011 -12.0051 3.94875 -12.0052 -14.0643 GPRESSAVG: 2271000 -42.7656 2.27214 4.92487 1.47177 66.2024 -12.1882 3.44846 -10.6643 -14.4979 TIMING: 2271000 CPU: 7176.27, 0.00314382/step Wall: 7176.27, 0.00314382/step, 2.38319 hours remaining, 234.238281 MB of memory in use. ENERGY: 2271000 4016.8116 20383.8584 14477.1813 244.0069 -203101.2776 2507.7861 0.0000 0.0000 52000.4349 -109471.1983 298.8472 -161471.6332 -109109.9013 298.8011 -302.4375 -269.4175 764715.3767 2.9165 2.9796 PRESSURE: 2271200 239.12 -245.554 211.32 -245.555 -88.2497 5.30784 211.319 5.30777 213.841 GPRESSURE: 2271200 182.284 -246.233 194.124 -178.97 -14.2874 -12.1907 118.961 -8.48793 297.798 PRESSAVG: 2271200 10.287 -24.8271 25.8572 -24.8271 -8.17551 -6.14043 25.8572 -6.14045 -1.80938 GPRESSAVG: 2271200 10.993 -25.9022 24.2822 -22.9008 -7.73834 -6.31175 27.7063 -6.2436 -1.96854 TIMING: 2271200 CPU: 7176.9, 0.00315881/step Wall: 7176.9, 0.00315881/step, 2.39438 hours remaining, 234.496094 MB of memory in use. ENERGY: 2271200 3985.8868 20495.2510 14448.3810 238.0440 -203438.7642 2832.8676 0.0000 0.0000 51958.3981 -109479.9357 298.6056 -161438.3338 -109122.7814 298.7348 121.5702 155.2652 762074.2131 0.1007 0.4287 PRESSURE: 2271400 -161.157 -36.2902 13.8006 -36.2908 -54.3111 -37.5966 13.8012 -37.5967 579.459 GPRESSURE: 2271400 -88.2101 -7.55196 51.8071 -29.3877 36.4357 9.30774 101.075 -110.176 506.641 PRESSAVG: 2271400 -24.3495 -31.6558 16.6185 -31.6559 26.4297 13.0782 16.6185 13.0781 -2.65096 GPRESSAVG: 2271400 -23.9983 -28.8573 18.2472 -32.3875 25.9451 15.3195 15.7245 10.9345 -3.12456 TIMING: 2271400 CPU: 7177.53, 0.00314323/step Wall: 7177.53, 0.00314323/step, 2.3824 hours remaining, 234.496094 MB of memory in use. ENERGY: 2271400 3929.0718 20209.6895 14398.6235 244.7342 -202776.1422 2627.4585 0.0000 0.0000 51903.1310 -109463.4338 298.2880 -161366.5648 -109096.0209 298.8073 121.3303 151.6223 763887.6629 -0.1902 -0.3926 PRESSURE: 2271600 188.511 -109.884 2.55274 -109.884 19.9179 41.7103 2.55218 41.7107 56.1064 GPRESSURE: 2271600 189.418 -160.739 -10.1694 -39.8247 48.1482 22.1726 -29.0621 105.559 116.072 PRESSAVG: 2271600 4.24519 -32.9814 17.4425 -32.9814 -1.18508 21.6513 17.4425 21.6513 -23.4689 GPRESSAVG: 2271600 4.13515 -35.8726 17.08 -32.7873 -2.09636 21.0495 17.0526 23.8924 -22.2473 TIMING: 2271600 CPU: 7178.16, 0.00314056/step Wall: 7178.16, 0.00314056/step, 2.3802 hours remaining, 234.496094 MB of memory in use. ENERGY: 2271600 3906.9121 20397.7059 14463.3891 259.8550 -203222.7495 2631.9797 0.0000 0.0000 51803.6248 -109759.2829 297.7161 -161562.9077 -109406.4705 297.9817 88.1783 117.8795 762371.9181 -6.8029 -6.7362 PRESSURE: 2271800 -7.45467 -82.3022 -106.446 -82.3017 -386.37 -81.4623 -106.446 -81.4612 -78.202 GPRESSURE: 2271800 -20.5288 20.2694 -145.243 -32.0565 -314.785 -49.9982 23.2117 -149.027 -84.3144 PRESSAVG: 2271800 65.8917 -77.0206 22.3526 -77.0206 -81.495 -23.7694 22.3525 -23.7693 -19.8575 GPRESSAVG: 2271800 65.3398 -75.1011 22.0631 -78.8967 -82.1104 -24.2967 22.3423 -23.7947 -19.0275 TIMING: 2271800 CPU: 7178.79, 0.00314636/step Wall: 7178.79, 0.00314636/step, 2.38442 hours remaining, 234.496094 MB of memory in use. ENERGY: 2271800 3925.0905 20440.1254 14455.2021 248.3318 -203319.9879 2758.8342 0.0000 0.0000 51760.3742 -109732.0298 297.4676 -161492.4040 -109384.4378 297.9195 -157.3424 -139.8762 764282.4663 -11.8203 -11.9327 PRESSURE: 2272000 -280.182 -43.1717 -3.62296 -43.1722 124.355 84.3614 -3.62367 84.3605 -93.8609 GPRESSURE: 2272000 -132.523 -8.7966 -11.2329 9.79834 61.1092 118.085 56.3926 112.869 -88.3263 PRESSAVG: 2272000 75.3638 -10.9149 -14.3134 -10.9149 -38.437 -25.6822 -14.3135 -25.6823 -6.01176 GPRESSAVG: 2272000 77.4776 -12.8376 -15.0786 -10.7326 -39.4004 -27.4683 -12.3294 -26.8795 -7.30069 TIMING: 2272000 CPU: 7179.42, 0.0031525/step Wall: 7179.42, 0.0031525/step, 2.38889 hours remaining, 234.496094 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: 2272000 3967.1872 20337.6156 14462.0529 252.4415 -203327.1294 2564.3142 0.0000 0.0000 52044.6966 -109698.8215 299.1016 -161743.5181 -109341.5830 298.2760 -83.2294 -53.2467 764112.0075 10.3050 10.2588 PRESSURE: 2272200 -89.2738 -75.3765 10.1244 -75.3762 -222.506 120.908 10.124 120.908 -529.545 GPRESSURE: 2272200 -148.072 -51.2554 -8.28435 -14.7446 -163.281 173.472 -8.76567 41.848 -432.659 PRESSAVG: 2272200 62.8071 -21.1563 45.7211 -21.1562 -56.6393 -17.2 45.7211 -17.1999 13.1131 GPRESSAVG: 2272200 61.2207 -19.7721 45.1849 -18.7535 -54.6327 -15.795 45.6688 -16.8223 12.8605 TIMING: 2272200 CPU: 7180.05, 0.00315651/step Wall: 7180.05, 0.00315651/step, 2.39176 hours remaining, 234.496094 MB of memory in use. ENERGY: 2272200 3992.2968 20290.5055 14406.4643 259.0168 -203045.0292 2330.0713 0.0000 0.0000 52131.4604 -109635.2142 299.6002 -161766.6745 -109279.9960 298.4326 -280.4416 -248.0041 763092.2059 6.4270 6.4828 LDB: ============= START OF LOAD BALANCING ============== 7192.58 LDB: ============== END OF LOAD BALANCING =============== 7192.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7192.58 LDB: ============= START OF LOAD BALANCING ============== 7192.9 LDB: Largest compute 7058 load 0.030224 is 15.5% of average load 0.195434 LDB: Average compute 0.004387 is 2.2% of average load 0.195434 LDB: TIME 7192.9 LOAD: AVG 0.195434 MAX 0.216958 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 7192.9 LOAD: AVG 0.195434 MAX 0.216958 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 7192.9 LOAD: AVG 0.195434 MAX 0.216958 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 7192.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7192.91 PRESSURE: 2272400 440.366 -154.676 -325.798 -154.676 -212.216 -15.9349 -325.799 -15.9332 34.8503 GPRESSURE: 2272400 498.697 -83.7938 -281.396 -187.586 -198.899 -58.0989 -315.357 -149.408 42.3354 PRESSAVG: 2272400 -25.823 -19.1506 10.8422 -19.1506 9.23302 13.1512 10.8422 13.1512 -27.7172 GPRESSAVG: 2272400 -24.5371 -20.0284 10.659 -19.2671 9.20422 12.2078 9.89247 13.2713 -28.842 TIMING: 2272400 CPU: 7180.69, 0.00321046/step Wall: 7180.69, 0.00321046/step, 2.43246 hours remaining, 234.851562 MB of memory in use. ENERGY: 2272400 3959.5785 20408.8758 14403.3724 225.8250 -203644.1319 2945.2360 0.0000 0.0000 52033.5336 -109667.7106 299.0374 -161701.2442 -109308.6884 298.0261 87.6667 114.0445 762125.1150 -14.7691 -14.7249 PRESSURE: 2272600 74.147 -221.658 47.4497 -221.657 -363.45 -97.9469 47.4491 -97.9469 360.421 GPRESSURE: 2272600 119.07 -307.972 82.9627 -213.195 -292.133 -124.14 102.219 31.7283 313.43 PRESSAVG: 2272600 27.2093 -10.1496 -2.17171 -10.1496 -47.272 15.4934 -2.17177 15.4933 -5.676 GPRESSAVG: 2272600 26.808 -7.79016 -1.54732 -13.1906 -47.8276 16.1784 -2.0512 14.0596 -4.67935 TIMING: 2272600 CPU: 7181.32, 0.00314759/step Wall: 7181.32, 0.00314759/step, 2.38465 hours remaining, 235.289062 MB of memory in use. ENERGY: 2272600 4005.3064 20457.5411 14442.2958 231.0152 -203257.9244 2631.3332 0.0000 0.0000 51858.7178 -109631.7148 298.0328 -161490.4326 -109277.6456 297.8924 23.7061 46.7890 764263.4830 -8.5796 -8.5663 PRESSURE: 2272800 -112.778 101.701 26.577 101.701 62.4862 31.2199 26.5767 31.2205 81.1292 GPRESSURE: 2272800 -30.6667 26.9795 19.2168 61.3453 60.8951 3.4938 177.441 39.0137 87.053 PRESSAVG: 2272800 31.4162 -33.7374 -34.9073 -33.7375 -17.3665 -8.94947 -34.9074 -8.94949 -5.87838 GPRESSAVG: 2272800 31.5397 -36.3724 -35.7462 -33.2047 -18.1614 -10.3525 -35.239 -7.34891 -4.88393 TIMING: 2272800 CPU: 7181.95, 0.00313446/step Wall: 7181.95, 0.00313446/step, 2.37453 hours remaining, 235.289062 MB of memory in use. ENERGY: 2272800 3987.3771 20378.5395 14376.6409 243.7494 -203414.2621 2683.0895 0.0000 0.0000 51884.9635 -109859.9023 298.1836 -161744.8658 -109505.5718 297.7964 10.2792 39.0938 761785.2885 2.7238 2.8315 PRESSURE: 2273000 -278.232 -68.3689 75.3352 -68.3691 39.2265 109.28 75.3348 109.279 11.0618 GPRESSURE: 2273000 -156.638 -97.6276 110.679 -29.559 -95.2719 64.5285 -120.641 42.9331 113.367 PRESSAVG: 2273000 32.8447 -66.5661 -4.33732 -66.5661 -45.0886 12.6304 -4.33739 12.6303 -17.2601 GPRESSAVG: 2273000 32.9944 -66.8415 -4.77842 -65.8809 -44.0462 12.4555 -4.77768 13.123 -17.7475 TIMING: 2273000 CPU: 7182.57, 0.00312382/step Wall: 7182.57, 0.00312382/step, 2.36629 hours remaining, 235.289062 MB of memory in use. ENERGY: 2273000 3935.6544 20373.8916 14434.5726 239.8611 -203230.9469 2639.2140 0.0000 0.0000 52148.4656 -109459.2875 299.6979 -161607.7531 -109103.6860 298.2840 -75.9811 -46.1811 762626.9687 -9.8347 -9.5998 PRESSURE: 2273200 24.3814 -105.885 -102.647 -105.885 106.64 116.105 -102.647 116.106 -45.1246 GPRESSURE: 2273200 82.6396 -254.466 -66.6785 -82.1053 114.922 7.52732 -22.706 15.8965 -25.6113 PRESSAVG: 2273200 -2.56953 -59.5183 -8.48331 -59.5183 58.9174 9.92668 -8.48327 9.92667 22.2585 GPRESSAVG: 2273200 -1.53515 -59.6495 -9.47863 -59.1953 58.4104 10.8143 -8.08715 9.06711 21.6624 TIMING: 2273200 CPU: 7183.2, 0.00314874/step Wall: 7183.2, 0.00314874/step, 2.38499 hours remaining, 235.289062 MB of memory in use. ENERGY: 2273200 3982.0866 20513.0079 14500.9901 259.2077 -203718.3154 3006.4750 0.0000 0.0000 52109.4755 -109347.0726 299.4739 -161456.5481 -108974.1773 299.2422 28.6324 57.3169 763366.7943 26.2021 26.1792 PRESSURE: 2273400 47.1645 -99.6814 29.7646 -99.6814 -267.295 -222.554 29.7639 -222.552 174.193 GPRESSURE: 2273400 10.4157 -47.9417 21.3223 -140.538 -185.398 -297.856 8.74983 -91.8061 214.58 PRESSAVG: 2273400 1.39299 -29.0743 -30.716 -29.0742 -26.5844 -34.0697 -30.716 -34.0696 -14.0925 GPRESSAVG: 2273400 -0.650418 -30.3059 -27.8744 -27.9147 -25.5712 -36.066 -30.0693 -33.7673 -13.2508 TIMING: 2273400 CPU: 7183.84, 0.00316952/step Wall: 7183.84, 0.00316952/step, 2.40056 hours remaining, 235.289062 MB of memory in use. ENERGY: 2273400 3934.8584 20482.4034 14473.6173 245.0479 -203434.5986 2823.0793 0.0000 0.0000 51990.4872 -109485.1050 298.7900 -161475.5922 -109127.8519 298.8528 -15.3125 13.1990 761487.5984 -13.0946 -13.1575 PRESSURE: 2273600 203.289 29.3281 28.3551 29.328 168.426 215.27 28.3553 215.269 60.6835 GPRESSURE: 2273600 246.944 19.8702 6.34119 166.675 251.615 366.916 62.1292 131.004 30.2812 PRESSAVG: 2273600 -17.7948 -12.7467 20.1226 -12.7467 45.1858 -6.3181 20.1226 -6.31807 15.0807 GPRESSAVG: 2273600 -16.6896 -12.8618 19.0235 -13.6048 44.6026 -4.80468 18.5927 -8.234 15.19 TIMING: 2273600 CPU: 7184.47, 0.00313697/step Wall: 7184.47, 0.00313697/step, 2.37573 hours remaining, 235.289062 MB of memory in use. ENERGY: 2273600 4068.8884 20498.1268 14436.8617 247.5883 -203233.2295 2668.0783 0.0000 0.0000 52009.5856 -109304.1003 298.8998 -161313.6860 -108948.7484 298.4494 144.1327 176.2800 761018.1985 14.1572 14.3677 PRESSURE: 2273800 -121.193 119.861 119.405 119.861 149.192 -141.395 119.404 -141.394 129.905 GPRESSURE: 2273800 -49.3969 91.7384 82.7079 80.531 170.887 -145.354 127.101 -160.005 111.653 PRESSAVG: 2273800 -35.5048 -20.3479 -36.3738 -20.3479 79.668 -49.5283 -36.3738 -49.5282 4.06371 GPRESSAVG: 2273800 -35.8259 -18.7739 -36.7588 -20.986 78.8946 -49.0467 -34.25 -48.2636 4.45993 TIMING: 2273800 CPU: 7185.09, 0.00313315/step Wall: 7185.09, 0.00313315/step, 2.37267 hours remaining, 235.289062 MB of memory in use. ENERGY: 2273800 3996.2970 20463.2390 14436.1479 246.6299 -202973.4662 2614.5659 0.0000 0.0000 51890.8945 -109325.6921 298.2177 -161216.5866 -108962.4432 298.8775 52.6345 77.7146 763315.0302 16.0756 15.8429 PRESSURE: 2274000 201.133 -191.521 82.0901 -191.521 243.844 -155.524 82.0902 -155.525 506.45 GPRESSURE: 2274000 187.403 -193.65 151.713 -107.684 297.147 -107.68 123.613 -163.72 546.818 PRESSAVG: 2274000 -64.334 -42.3035 -3.97515 -42.3035 74.4715 -70.4288 -3.97519 -70.4288 -13.3539 GPRESSAVG: 2274000 -65.1928 -41.0057 -1.75835 -42.0584 75.5057 -70.6796 -5.58285 -69.867 -13.4213 TIMING: 2274000 CPU: 7185.72, 0.00311808/step Wall: 7185.72, 0.00311808/step, 2.36108 hours remaining, 235.289062 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: 2274000 4070.0422 20628.6477 14413.1394 254.0456 -203640.7859 2961.9137 0.0000 0.0000 52029.6979 -109283.2993 299.0154 -161312.9972 -108937.3315 299.4870 317.1422 343.7894 759296.3684 -1.0721 -1.0361 PRESSURE: 2274200 169.631 -116.849 -210.131 -116.85 118.078 203.714 -210.131 203.714 108.768 GPRESSURE: 2274200 144.469 -234.739 -301.909 -229.19 222.876 233.587 -110.92 197.379 97.3418 PRESSAVG: 2274200 10.497 -43.156 -20.3418 -43.156 20.5361 -27.6335 -20.3418 -27.6334 2.21792 GPRESSAVG: 2274200 10.6005 -44.2089 -21.4983 -42.7989 20.2152 -27.8474 -19.2906 -26.1774 1.82301 TIMING: 2274200 CPU: 7186.35, 0.0031502/step Wall: 7186.35, 0.00315021/step, 2.38523 hours remaining, 235.289062 MB of memory in use. ENERGY: 2274200 4028.5598 20561.7246 14450.1377 253.7830 -203354.8589 2826.2862 0.0000 0.0000 52196.3984 -109037.9692 299.9734 -161234.3676 -108666.8705 300.0084 132.1591 154.8956 761820.7091 11.0837 10.8796 PRESSURE: 2274400 -49.1185 -26.4198 61.0461 -26.4191 187.61 -194.813 61.0463 -194.814 -358.703 GPRESSURE: 2274400 23.7194 -77.7237 17.1988 -121.154 179.715 -144.027 -141.283 -226.452 -343.796 PRESSAVG: 2274400 2.81911 -39.3973 -9.14855 -39.3973 10.4676 -43.2249 -9.14856 -43.2248 16.0345 GPRESSAVG: 2274400 3.59821 -40.6413 -9.43386 -39.2435 9.67884 -42.8174 -10.3534 -45.9722 15.6629 TIMING: 2274400 CPU: 7186.97, 0.00312169/step Wall: 7186.97, 0.00312169/step, 2.36347 hours remaining, 235.289062 MB of memory in use. ENERGY: 2274400 3967.6048 20567.2368 14455.9848 261.5534 -203507.4627 2974.8782 0.0000 0.0000 52160.1857 -109120.0190 299.7653 -161280.2047 -108757.1966 299.4506 -73.4040 -46.7871 762766.4116 9.7737 9.6467 PRESSURE: 2274600 187.75 29.9222 272.227 29.9234 -32.5795 264.137 272.227 264.138 -281.909 GPRESSURE: 2274600 109.021 25.8675 251.746 -16.1684 66.7434 291.393 235.416 269.014 -222.78 PRESSAVG: 2274600 -8.87928 -83.5879 -10.0691 -83.5879 2.58156 -15.4559 -10.0692 -15.4559 -7.10701 GPRESSAVG: 2274600 -8.90284 -83.4709 -11.3175 -83.9153 2.99816 -16.0781 -9.7675 -15.3212 -7.34711 TIMING: 2274600 CPU: 7187.6, 0.00313113/step Wall: 7187.6, 0.00313113/step, 2.37044 hours remaining, 235.289062 MB of memory in use. ENERGY: 2274600 3996.8208 20516.6820 14398.6502 235.3271 -202976.5843 2505.3928 0.0000 0.0000 52000.0142 -109323.6973 298.8448 -161323.7115 -108953.0530 299.0794 -42.2463 -15.6718 762712.5759 -4.4682 -4.4173 PRESSURE: 2274800 -164.913 -12.7085 199.542 -12.7086 -149.878 -52.2671 199.541 -52.2661 1.52739 GPRESSURE: 2274800 -184.298 -71.8464 181.591 165.893 -41.3582 -105.946 236.365 -93.5764 11.8191 PRESSAVG: 2274800 -4.9447 21.3237 -13.4376 21.3237 28.6408 -29.2171 -13.4376 -29.2172 23.6354 GPRESSAVG: 2274800 -5.23703 22.1316 -13.721 20.2821 29.8261 -28.7872 -12.0967 -31.0665 22.7526 TIMING: 2274800 CPU: 7188.23, 0.00314397/step Wall: 7188.23, 0.00314397/step, 2.37999 hours remaining, 235.289062 MB of memory in use. ENERGY: 2274800 4014.9696 20582.1719 14456.5090 241.5181 -203202.9697 2479.9536 0.0000 0.0000 51963.4912 -109464.3563 298.6349 -161427.8476 -109105.9957 299.0329 -104.4215 -71.2791 764185.9931 15.7771 15.7805 PRESSURE: 2275000 -89.031 -94.7999 -144.252 -94.8006 96.4843 55.0195 -144.252 55.0197 -64.628 GPRESSURE: 2275000 -127.471 -187.778 -102.258 -13.767 152.039 41.5841 -195.641 21.7417 -12.1786 PRESSAVG: 2275000 -6.05871 -31.3129 8.51695 -31.3129 8.08426 -2.33125 8.51694 -2.33126 -7.34386 GPRESSAVG: 2275000 -5.53822 -31.4015 11.4121 -28.5662 7.28902 -3.19433 6.90942 -0.91294 -6.78755 TIMING: 2275000 CPU: 7188.85, 0.00314404/step Wall: 7188.85, 0.00314404/step, 2.37987 hours remaining, 235.289062 MB of memory in use. ENERGY: 2275000 4134.1097 20408.1823 14401.6664 227.5230 -203323.4447 2744.7829 0.0000 0.0000 52061.9813 -109345.1991 299.2009 -161407.1803 -108975.6364 298.8763 -19.0583 4.1298 761292.2814 -1.7728 -1.6789 PRESSURE: 2275200 371.208 -63.2495 96.2503 -63.2495 -114.321 -164.332 96.2504 -164.332 -470.324 GPRESSURE: 2275200 398.9 27.262 83.9131 -118.983 -92.303 -92.5196 121.554 -97.7916 -447.207 PRESSAVG: 2275200 46.0951 -8.15206 19.6793 -8.15214 -43.6137 3.15545 19.6792 3.15552 6.58276 GPRESSAVG: 2275200 45.3429 -7.20269 17.6198 -9.81933 -44.0438 3.63993 20.9499 4.74265 7.91625 TIMING: 2275200 CPU: 7189.48, 0.00315193/step Wall: 7189.48, 0.00315193/step, 2.38566 hours remaining, 235.289062 MB of memory in use. ENERGY: 2275200 3976.0837 20484.9202 14426.3069 251.3268 -203029.3786 2436.1257 0.0000 0.0000 52095.2402 -109359.3749 299.3921 -161454.6151 -108988.7216 299.6302 -71.1456 -46.8699 761863.3761 3.0214 3.0718 PRESSURE: 2275400 60.0524 -186.091 -56.4976 -186.091 75.4145 -114.4 -56.498 -114.4 -350.991 GPRESSURE: 2275400 166.656 -38.9724 -46.8682 -56.8169 112.099 -125.789 -37.1057 -24.8783 -396.8 PRESSAVG: 2275400 5.11376 -48.112 7.13339 -48.112 26.9081 -10.907 7.13337 -10.907 -4.3778 GPRESSAVG: 2275400 5.14265 -49.3278 7.48425 -49.0166 27.7039 -10.634 4.99693 -13.8186 -5.218 TIMING: 2275400 CPU: 7190.12, 0.00316373/step Wall: 7190.12, 0.00316373/step, 2.39441 hours remaining, 235.289062 MB of memory in use. ENERGY: 2275400 3918.0321 20511.9666 14403.9550 262.4251 -203580.9201 2501.5538 0.0000 0.0000 52230.8268 -109752.1606 300.1713 -161982.9874 -109377.3219 298.5570 -71.8414 -39.3485 760278.5660 9.2147 9.2095 PRESSURE: 2275600 251.312 48.9987 -80.8247 48.9989 250.743 -1.32076 -80.8245 -1.32245 -48.4837 GPRESSURE: 2275600 183.814 73.8941 -92.3013 7.0959 281.834 -44.1777 -143.992 -30.5162 74.2661 PRESSAVG: 2275600 7.65091 -41.6554 36.0522 -41.6554 30.3479 -42.1038 36.0521 -42.1038 -16.0867 GPRESSAVG: 2275600 5.91571 -39.1623 35.2323 -42.3156 30.7869 -42.4613 36.6395 -40.3865 -14.7486 TIMING: 2275600 CPU: 7190.74, 0.00313747/step Wall: 7190.74, 0.00313747/step, 2.37437 hours remaining, 235.289062 MB of memory in use. ENERGY: 2275600 3962.0967 20554.0413 14470.8981 236.8994 -203618.2867 2759.4908 0.0000 0.0000 51782.8557 -109852.0047 297.5968 -161634.8604 -109491.4600 298.2832 151.1903 179.9715 761871.4542 7.3040 7.3180 PRESSURE: 2275800 139.314 -147.545 45.4937 -147.546 84.9211 -228.074 45.4933 -228.073 -117.483 GPRESSURE: 2275800 118.167 -261.468 86.269 -134.826 118.084 -278.125 19.8542 -219.539 -38.6729 PRESSAVG: 2275800 3.60502 -42.4953 -13.1115 -42.4951 -0.576706 -54.2289 -13.1116 -54.2289 19.015 GPRESSAVG: 2275800 4.64914 -43.4376 -11.9272 -43.6663 -0.914263 -55.805 -14.3322 -54.0642 18.2335 TIMING: 2275800 CPU: 7191.37, 0.00314235/step Wall: 7191.37, 0.00314235/step, 2.37789 hours remaining, 235.289062 MB of memory in use. ENERGY: 2275800 4002.5820 20367.4683 14421.5738 249.0374 -203371.4650 2505.4972 0.0000 0.0000 51993.5899 -109831.7164 298.8079 -161825.3062 -109466.4383 298.0370 35.5839 65.8594 762007.0159 7.3478 7.3228 PRESSURE: 2276000 -63.1066 132.251 -38.0467 132.25 232.267 62.6705 -38.0472 62.6696 356.714 GPRESSURE: 2276000 9.44126 8.58771 -39.092 130.634 269.239 -4.0431 7.10832 68.2079 332.009 PRESSAVG: 2276000 -10.3657 -29.6809 13.5542 -29.6809 11.0194 -1.50807 13.5542 -1.50802 -3.61126 GPRESSAVG: 2276000 -10.7337 -32.4927 14.6235 -26.5429 11.1145 -0.718861 14.2797 -1.12928 -3.57865 TIMING: 2276000 CPU: 7192, 0.00315355/step Wall: 7192, 0.00315355/step, 2.38619 hours remaining, 235.289062 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: 2276000 4062.4273 20425.7140 14485.3598 243.2320 -203492.0325 2723.9166 0.0000 0.0000 51936.0874 -109615.2954 298.4774 -161551.3828 -109266.7614 298.6774 175.2915 203.5630 761063.1607 -0.9859 -1.0659 PRESSURE: 2276200 58.0676 -161.871 -248.475 -161.871 203.691 -63.0654 -248.476 -63.066 210.611 GPRESSURE: 2276200 91.25 -182.787 -259.524 -136.059 350.288 -71.303 -196.063 -109.046 111.993 PRESSAVG: 2276200 13.9792 -24.9326 14.2856 -24.9326 -8.86182 15.7493 14.2856 15.7492 11.8579 GPRESSAVG: 2276200 13.792 -24.657 12.369 -25.4871 -7.79032 15.2484 17.078 16.6424 10.5795 TIMING: 2276200 CPU: 7192.63, 0.00312499/step Wall: 7192.63, 0.00312499/step, 2.3644 hours remaining, 235.289062 MB of memory in use. ENERGY: 2276200 3989.3431 20599.4413 14438.3154 254.1709 -203147.6568 2469.1739 0.0000 0.0000 51755.9994 -109641.2129 297.4424 -161397.2123 -109291.1153 298.8838 157.4566 184.5103 760225.4882 5.6584 5.5271 LDB: ============= START OF LOAD BALANCING ============== 7205.16 LDB: ============== END OF LOAD BALANCING =============== 7205.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7205.16 LDB: ============= START OF LOAD BALANCING ============== 7205.47 LDB: Largest compute 7063 load 0.031027 is 15.9% of average load 0.195522 LDB: Average compute 0.004380 is 2.2% of average load 0.195522 LDB: TIME 7205.47 LOAD: AVG 0.195522 MAX 0.218136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 7205.47 LOAD: AVG 0.195522 MAX 0.218136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 7205.47 LOAD: AVG 0.195522 MAX 0.218136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 7205.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7205.48 PRESSURE: 2276400 -201.565 16.567 189.446 16.5671 -369.72 -393.602 189.445 -393.603 -291.791 GPRESSURE: 2276400 -237.529 -100.081 108.635 110.972 -300.496 -461.036 157.644 -196.838 -246.712 PRESSAVG: 2276400 23.0645 -12.564 18.3557 -12.564 -10.9133 14.5688 18.3557 14.5689 15.9825 GPRESSAVG: 2276400 23.3011 -13.6547 18.9251 -13.087 -12.7263 15.0485 14.066 13.8044 17.2364 TIMING: 2276400 CPU: 7193.26, 0.00317916/step Wall: 7193.26, 0.00317916/step, 2.40521 hours remaining, 234.882812 MB of memory in use. ENERGY: 2276400 4018.4696 20665.3334 14433.8246 231.7008 -203873.3481 2687.7869 0.0000 0.0000 52188.1305 -109648.1022 299.9259 -161836.2327 -109295.0134 299.1435 -287.6918 -261.5788 760904.1931 9.3779 9.2704 PRESSURE: 2276600 -129.714 -313.578 347.794 -313.579 -0.757374 80.1194 347.795 80.121 -91.58 GPRESSURE: 2276600 -218.054 -390.194 338.853 -322.095 142.084 101.387 213.031 83.8436 -76.8964 PRESSAVG: 2276600 -18.502 -11.2828 42.6549 -11.2827 -4.46412 -23.7694 42.6549 -23.7695 14.9734 GPRESSAVG: 2276600 -19.3545 -8.66618 43.4434 -10.4591 -2.23373 -21.4505 43.6132 -23.9858 13.6387 TIMING: 2276600 CPU: 7193.89, 0.0031335/step Wall: 7193.89, 0.0031335/step, 2.37049 hours remaining, 235.085938 MB of memory in use. ENERGY: 2276600 4012.7405 20527.9046 14523.7306 258.4326 -203709.9129 2685.4117 0.0000 0.0000 52153.7445 -109547.9484 299.7283 -161701.6929 -109179.8495 299.2653 -74.0172 -50.9555 761010.8391 -2.6642 -2.6498 PRESSURE: 2276800 -47.3818 95.9904 -117.046 95.9905 -129.018 -43.006 -117.045 -43.0061 179.1 GPRESSURE: 2276800 29.8407 74.925 -164.345 -75.7444 -99.6958 -94.101 -137.101 38.5347 135.01 PRESSAVG: 2276800 -6.40623 -22.5672 33.6433 -22.5672 -4.62096 7.25525 33.6433 7.25526 -18.3262 GPRESSAVG: 2276800 -5.83073 -24.3404 32.3858 -22.7183 -5.55477 5.85858 33.9997 6.54074 -17.8112 TIMING: 2276800 CPU: 7194.52, 0.00314272/step Wall: 7194.52, 0.00314272/step, 2.37729 hours remaining, 235.085938 MB of memory in use. ENERGY: 2276800 4041.6013 20501.0450 14469.4037 250.6342 -203592.1071 2736.7964 0.0000 0.0000 52128.8344 -109463.7922 299.5851 -161592.6266 -109094.2042 298.9265 0.8999 21.7182 760978.2061 -9.7845 -9.7322 PRESSURE: 2277000 -102.859 -53.2315 63.0047 -53.2314 291.828 -61.0702 63.0043 -61.0698 -84.779 GPRESSURE: 2277000 -59.0317 -90.0625 11.4314 -44.037 306.74 -91.0115 38.1973 -29.3775 -59.6555 PRESSAVG: 2277000 -11.4928 20.9222 48.9841 20.9222 -14.0019 -18.9394 48.9841 -18.9394 -19.1763 GPRESSAVG: 2277000 -10.1991 20.4836 49.7441 20.7187 -14.7464 -19.0068 49.8768 -19.452 -19.6204 TIMING: 2277000 CPU: 7195.15, 0.00314083/step Wall: 7195.15, 0.00314083/step, 2.37569 hours remaining, 235.085938 MB of memory in use. ENERGY: 2277000 4001.2584 20404.4531 14414.2986 254.4691 -203495.1858 2766.6818 0.0000 0.0000 52133.6590 -109520.3659 299.6129 -161654.0248 -109151.8423 299.5039 34.7301 62.6841 760324.2002 -14.8903 -14.8553 PRESSURE: 2277200 -238.033 20.3918 -3.4631 20.3899 -236.176 214.657 -3.4641 214.657 -329.264 GPRESSURE: 2277200 -277.595 33.7773 44.2257 -27.5891 -179.434 240.298 77.8187 123.992 -268.725 PRESSAVG: 2277200 -24.7172 -4.62826 -25.4152 -4.62831 11.382 -13.3293 -25.4153 -13.3293 -9.1357 GPRESSAVG: 2277200 -25.8877 -3.99091 -24.4763 -3.97552 11.8826 -13.5266 -26.3365 -15.8392 -8.52294 TIMING: 2277200 CPU: 7195.78, 0.00314398/step Wall: 7195.78, 0.00314398/step, 2.3779 hours remaining, 235.085938 MB of memory in use. ENERGY: 2277200 3975.1186 20391.5773 14402.3157 252.9772 -203608.9840 2690.3950 0.0000 0.0000 52167.3562 -109729.2440 299.8065 -161896.6002 -109363.9464 299.1889 -267.8244 -241.9180 761189.2089 -7.4903 -7.5093 PRESSURE: 2277400 81.5653 63.8021 -117.703 63.8018 -142.875 -111.897 -117.704 -111.897 34.2126 GPRESSURE: 2277400 186.128 -14.7495 -162.314 34.7646 -124.707 -122.603 -180.066 39.1224 -9.66057 PRESSAVG: 2277400 -31.4295 0.58203 20.0071 0.581985 45.4458 -41.7697 20.007 -41.7698 -11.2713 GPRESSAVG: 2277400 -30.6121 -1.15747 19.8035 0.804721 44.0041 -42.0544 21.2893 -37.7243 -11.2084 TIMING: 2277400 CPU: 7196.4, 0.00313507/step Wall: 7196.4, 0.00313507/step, 2.37098 hours remaining, 235.085938 MB of memory in use. ENERGY: 2277400 4030.7642 20591.5710 14480.1383 246.6388 -203683.0305 2516.2956 0.0000 0.0000 52138.6724 -109678.9502 299.6417 -161817.6226 -109308.0771 299.0492 -9.0324 17.2537 760726.6597 0.9150 0.7279 PRESSURE: 2277600 -150.051 -297.736 250.09 -297.734 -185.995 -69.0086 250.091 -69.0093 -272.325 GPRESSURE: 2277600 -142.383 -276.128 209.04 -256.853 -154.17 -144.481 126.657 -75.8928 -252.805 PRESSAVG: 2277600 18.6086 -36.593 -27.8897 -36.593 -9.86675 -27.2413 -27.8897 -27.2413 -4.15206 GPRESSAVG: 2277600 17.9916 -33.6574 -27.9446 -39.0142 -8.63373 -27.1553 -29.516 -26.6598 -4.28751 TIMING: 2277600 CPU: 7197.04, 0.00316627/step Wall: 7197.04, 0.00316627/step, 2.3944 hours remaining, 235.085938 MB of memory in use. ENERGY: 2277600 3996.1091 20659.4130 14457.1278 245.5770 -203433.2895 2532.0373 0.0000 0.0000 51927.6085 -109615.4169 298.4287 -161543.0253 -109264.9288 299.1821 -202.7903 -183.1194 762243.0629 1.5299 1.6901 PRESSURE: 2277800 -41.0815 -229.825 -64.3382 -229.827 14.7597 -267.481 -64.3374 -267.482 -22.0805 GPRESSURE: 2277800 -7.40452 -222.179 5.81165 -349.622 59.5167 -269.142 -22.0478 -382.922 -29.7505 PRESSAVG: 2277800 -2.11352 -63.2894 44.8869 -63.2894 18.2148 -54.743 44.8869 -54.7429 6.14951 GPRESSAVG: 2277800 -1.22654 -64.2987 43.5807 -62.873 17.7081 -54.7978 45.9736 -56.2188 6.15952 TIMING: 2277800 CPU: 7197.67, 0.00314498/step Wall: 7197.67, 0.00314497/step, 2.37812 hours remaining, 235.085938 MB of memory in use. ENERGY: 2277800 3993.9808 20548.2419 14431.3236 252.0417 -203381.8580 2532.5289 0.0000 0.0000 52002.7154 -109621.0257 298.8603 -161623.7411 -109258.9197 299.1697 -16.1341 7.4539 762992.3594 7.4169 7.5470 PRESSURE: 2278000 -82.0257 6.26639 188.939 6.26677 -104.59 183.979 188.938 183.978 -11.5327 GPRESSURE: 2278000 -65.6956 141.245 205.159 0.872791 -114.309 197.879 247.177 199.346 57.568 PRESSAVG: 2278000 1.99197 5.49206 119.436 5.49202 -16.0875 11.4509 119.436 11.4509 -17.7012 GPRESSAVG: 2278000 1.93409 5.92885 120.866 4.24793 -15.9614 12.9736 119.631 9.41682 -17.5349 TIMING: 2278000 CPU: 7198.29, 0.0031379/step Wall: 7198.29, 0.0031379/step, 2.3726 hours remaining, 235.085938 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: 2278000 3970.4129 20603.3587 14418.9944 248.5174 -203088.6724 2405.5397 0.0000 0.0000 52071.8911 -109369.9583 299.2579 -161441.8494 -109001.0060 299.2753 -66.0495 -40.8122 763983.9231 -10.5989 -10.5208 PRESSURE: 2278200 -282.685 -181.446 -7.41545 -181.445 -469.495 -119.935 -7.416 -119.936 -191.467 GPRESSURE: 2278200 -183.989 -203.918 -7.91851 -107.544 -524.708 -81.0522 -138.877 -65.1023 -153.885 PRESSAVG: 2278200 27.54 8.61435 38.3747 8.61432 -72.5651 28.6866 38.3747 28.6866 -12.9325 GPRESSAVG: 2278200 26.1416 6.47731 38.4087 11.8976 -72.0577 28.5318 37.3702 29.6577 -12.3047 TIMING: 2278200 CPU: 7198.92, 0.00314441/step Wall: 7198.92, 0.00314441/step, 2.37735 hours remaining, 235.085938 MB of memory in use. ENERGY: 2278200 4002.5160 20594.1971 14421.5948 239.0945 -203217.0768 2341.6736 0.0000 0.0000 52009.6338 -109608.3670 298.9001 -161618.0008 -109253.4106 299.3107 -314.5489 -287.5275 762829.3009 -19.3192 -19.4069 PRESSURE: 2278400 -198.832 79.6777 47.3802 79.6783 -8.8648 108.668 47.3799 108.669 -179.363 GPRESSURE: 2278400 -142.54 -2.3366 9.33484 85.7161 43.4074 127.042 -2.17249 67.3397 -198.387 PRESSAVG: 2278400 65.8772 -44.8342 -1.36753 -44.8343 -52.4489 -4.89942 -1.3676 -4.8994 5.38027 GPRESSAVG: 2278400 66.3858 -44.0027 -3.16223 -43.7507 -52.28 -5.97741 0.712569 -3.43823 5.06 TIMING: 2278400 CPU: 7199.55, 0.00314013/step Wall: 7199.55, 0.00314013/step, 2.37394 hours remaining, 235.085938 MB of memory in use. ENERGY: 2278400 3989.8567 20474.0509 14392.1620 232.2794 -203462.9008 2703.1663 0.0000 0.0000 52201.0286 -109470.3569 300.0000 -161671.3855 -109111.7739 299.1089 -129.0202 -99.1734 762083.4597 6.2695 6.3886 PRESSURE: 2278600 205.811 -25.5873 178.517 -25.5875 -63.9086 -84.9832 178.517 -84.984 132.3 GPRESSURE: 2278600 203.425 -79.6736 254.04 -123.83 9.84495 -117.562 241.594 -4.34027 143.721 PRESSAVG: 2278600 -3.64602 -12.3684 30.2065 -12.3685 6.97859 -32.3305 30.2065 -32.3305 -9.8938 GPRESSAVG: 2278600 -4.04171 -12.3715 31.6108 -15.2494 6.15011 -31.2759 27.0112 -31.9327 -9.45917 TIMING: 2278600 CPU: 7200.18, 0.00314576/step Wall: 7200.18, 0.00314576/step, 2.37802 hours remaining, 235.085938 MB of memory in use. ENERGY: 2278600 3995.5782 20626.2490 14428.5717 252.0176 -203420.3353 2574.6547 0.0000 0.0000 52192.1785 -109351.0857 299.9492 -161543.2642 -108996.1712 299.9247 91.4010 118.9970 759428.5558 -2.1871 -2.4503 PRESSURE: 2278800 451.815 -4.51739 -142.467 -4.51783 159.046 113.475 -142.467 113.476 275.175 GPRESSURE: 2278800 551.621 -26.9169 -137.885 -32.0138 112.928 24.5575 -36.6116 96.7457 297.959 PRESSAVG: 2278800 64.1504 -26.5343 -1.57494 -26.5344 -75.8791 -18.4245 -1.57498 -18.4246 0.901406 GPRESSAVG: 2278800 65.0502 -27.6647 -2.20373 -26.6497 -76.3327 -17.5186 -0.691668 -19.0098 1.13442 TIMING: 2278800 CPU: 7200.81, 0.00315878/step Wall: 7200.81, 0.00315878/step, 2.38769 hours remaining, 235.085938 MB of memory in use. ENERGY: 2278800 4051.5272 20629.1053 14407.5309 256.1014 -203601.5378 2585.4108 0.0000 0.0000 52188.6773 -109483.1849 299.9290 -161671.8622 -109122.0831 299.5794 295.3455 320.8361 759865.5802 -3.6091 -3.3827 PRESSURE: 2279000 284.328 125.071 -206.985 125.071 120.512 -149.643 -206.985 -149.643 141.112 GPRESSURE: 2279000 374.242 -8.23086 -208.071 140.453 152.484 -142.367 -128.261 -152.672 86.4293 PRESSAVG: 2279000 26.2098 -19.8395 52.1907 -19.8395 -22.3548 -15.9201 52.1908 -15.9201 -0.546774 GPRESSAVG: 2279000 25.3793 -19.3111 52.6349 -18.4191 -20.7527 -17.4386 52.794 -17.2255 -1.32719 TIMING: 2279000 CPU: 7201.45, 0.00316914/step Wall: 7201.45, 0.00316914/step, 2.39534 hours remaining, 235.085938 MB of memory in use. ENERGY: 2279000 3984.8974 20585.5483 14449.5346 250.7708 -203519.2492 2729.5292 0.0000 0.0000 51857.9653 -109661.0036 298.0284 -161518.9689 -109302.7693 299.2728 181.9840 204.3849 761399.6673 1.1028 1.0998 PRESSURE: 2279200 -139.854 -1.08363 167.7 -1.08288 140.522 -62.1238 167.701 -62.1244 71.7884 GPRESSURE: 2279200 -61.71 15.0349 141.262 -19.4368 110.805 -59.9523 182.131 -47.4913 101.464 PRESSAVG: 2279200 -28.5429 -39.5615 49.5923 -39.5616 26.3817 -26.5497 49.5923 -26.5498 11.5638 GPRESSAVG: 2279200 -27.5771 -38.2018 50.085 -39.7797 25.8415 -26.7596 49.999 -24.8748 11.2058 TIMING: 2279200 CPU: 7202.08, 0.00316023/step Wall: 7202.08, 0.00316023/step, 2.38843 hours remaining, 235.085938 MB of memory in use. ENERGY: 2279200 4052.7747 20534.2492 14514.3918 249.0216 -203659.9282 2731.8752 0.0000 0.0000 52040.1943 -109537.4214 299.0757 -161577.6157 -109184.2628 298.9833 24.1524 50.1864 760829.8643 3.1342 3.1567 PRESSURE: 2279400 -109.245 -8.49184 -102.899 -8.49313 -508.413 82.7635 -102.899 82.7629 -150.808 GPRESSURE: 2279400 -23.9979 -36.053 -65.3889 -17.5432 -476.048 78.0599 -2.38287 29.9267 -157.878 PRESSAVG: 2279400 77.9595 -21.6372 16.6849 -21.6372 -44.1057 -13.1681 16.6849 -13.1681 7.36682 GPRESSAVG: 2279400 77.1008 -24.2075 14.2094 -22.2414 -43.18 -13.2229 15.4371 -14.5957 7.59243 TIMING: 2279400 CPU: 7202.71, 0.00314727/step Wall: 7202.71, 0.00314727/step, 2.37846 hours remaining, 235.085938 MB of memory in use. ENERGY: 2279400 3974.6397 20393.2833 14435.5639 235.2364 -203812.9686 2761.1304 0.0000 0.0000 52399.5516 -109613.5634 301.1409 -162013.1150 -109249.1343 299.0242 -256.1553 -219.3080 761880.6161 13.7402 13.8377 PRESSURE: 2279600 341.596 -115.404 -106.468 -115.405 460.974 64.1074 -106.469 64.1071 33.3968 GPRESSURE: 2279600 310.136 -167.24 -106.041 -5.68586 504.927 79.6437 -119.778 133.119 108.351 PRESSAVG: 2279600 33.2706 -40.0626 20.9028 -40.0627 -46.6463 -23.1041 20.9028 -23.1041 4.43472 GPRESSAVG: 2279600 32.8693 -39.8551 22.1407 -37.9709 -47.3409 -24.0377 21.8821 -22.0965 5.48234 TIMING: 2279600 CPU: 7203.33, 0.00313623/step Wall: 7203.33, 0.00313623/step, 2.36994 hours remaining, 235.085938 MB of memory in use. ENERGY: 2279600 4022.7654 20487.3007 14448.7749 253.9754 -203620.0729 2900.1516 0.0000 0.0000 51663.8901 -109843.2147 296.9131 -161507.1048 -109480.8033 298.5839 278.6555 307.8046 759659.7457 -2.9803 -2.9964 PRESSURE: 2279800 -366.526 -8.12601 31.4749 -8.12646 -215.15 -106.658 31.4745 -106.658 -345.635 GPRESSURE: 2279800 -312.383 -120.371 46.2815 61.4745 -145.602 -197.916 100.976 134.058 -391.755 PRESSAVG: 2279800 29.8108 -9.08376 -10.422 -9.08377 18.8419 -37.7701 -10.422 -37.7702 -13.6273 GPRESSAVG: 2279800 29.8519 -9.01468 -9.94104 -8.47399 19.7947 -37.6231 -11.8556 -36.2346 -14.7538 TIMING: 2279800 CPU: 7203.96, 0.00313702/step Wall: 7203.96, 0.00313702/step, 2.37037 hours remaining, 235.085938 MB of memory in use. ENERGY: 2279800 3896.3577 20574.5026 14420.6314 238.5753 -203101.8346 2376.4444 0.0000 0.0000 51947.6213 -109647.7019 298.5437 -161595.3232 -109275.8441 298.4331 -309.1039 -283.2470 763513.6927 11.6752 11.6309 PRESSURE: 2280000 297.77 -68.2266 125.421 -68.227 98.0636 -209.891 125.422 -209.892 364.506 GPRESSURE: 2280000 264.786 -59.4586 87.0249 -20.0627 123.357 -172.941 128.281 -205.849 469.055 PRESSAVG: 2280000 30.4985 6.65455 25.909 6.65451 14.367 -8.71378 25.909 -8.71378 11.3631 GPRESSAVG: 2280000 30.9133 7.70792 25.7804 5.36594 14.2946 -6.93634 26.9753 -9.23912 11.5356 TIMING: 2280000 CPU: 7204.59, 0.00313429/step Wall: 7204.59, 0.00313428/step, 2.36813 hours remaining, 235.085938 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: 2280000 3911.6434 20583.1446 14438.3897 256.3825 -203871.4271 2973.9375 0.0000 0.0000 52176.6910 -109531.2385 299.8602 -161707.9295 -109163.9502 298.8678 253.4465 285.7328 760858.1511 18.7429 18.9145 PRESSURE: 2280200 -295.845 -239.92 0.533322 -239.92 -461.459 -290.792 0.533734 -290.791 50.5159 GPRESSURE: 2280200 -354.722 -194.95 2.66361 -137.462 -351.557 -297.256 -31.4985 -296.677 94.3236 PRESSAVG: 2280200 25.7069 -5.19893 21.3692 -5.1989 3.63047 -50.4313 21.3691 -50.4313 16.8679 GPRESSAVG: 2280200 26.2944 -5.46191 22.0467 -3.93893 3.46142 -50.3172 20.3816 -52.8761 16.6887 TIMING: 2280200 CPU: 7205.22, 0.00315589/step Wall: 7205.22, 0.00315589/step, 2.38427 hours remaining, 235.085938 MB of memory in use. ENERGY: 2280200 3947.8656 20342.1534 14411.3940 225.2110 -203291.8090 2429.5733 0.0000 0.0000 52156.4726 -109779.1390 299.7440 -161935.6116 -109406.8349 298.4891 -235.5961 -203.9851 761906.0694 15.4017 15.4815 LDB: ============= START OF LOAD BALANCING ============== 7217.75 LDB: ============== END OF LOAD BALANCING =============== 7217.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7217.75 LDB: ============= START OF LOAD BALANCING ============== 7218.07 LDB: Largest compute 7078 load 0.030596 is 15.6% of average load 0.195523 LDB: Average compute 0.004383 is 2.2% of average load 0.195523 LDB: TIME 7218.07 LOAD: AVG 0.195523 MAX 0.216912 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.934 MB LDB: TIME 7218.07 LOAD: AVG 0.195523 MAX 0.216912 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: TIME 7218.07 LOAD: AVG 0.195523 MAX 0.216912 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: ============== END OF LOAD BALANCING =============== 7218.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7218.08 PRESSURE: 2280400 -399.403 -156.016 118.33 -156.016 -95.9779 -65.8547 118.329 -65.8548 64.7192 GPRESSURE: 2280400 -276.779 -136.331 70.2123 -141.707 -91.1862 -6.61204 -29.2616 24.1714 19.8198 PRESSAVG: 2280400 -51.9831 -49.3059 34.8693 -49.306 44.6791 -25.407 34.8693 -25.407 -11.7785 GPRESSAVG: 2280400 -50.9241 -49.8277 33.8766 -51.0196 43.7397 -25.7005 35.1323 -25.0764 -11.9229 TIMING: 2280400 CPU: 7205.86, 0.00321661/step Wall: 7205.86, 0.00321661/step, 2.42997 hours remaining, 235.960938 MB of memory in use. ENERGY: 2280400 4005.8033 20296.6985 14560.6070 253.0490 -203648.0085 2841.2944 0.0000 0.0000 51793.6078 -109896.9485 297.6586 -161690.5563 -109535.4560 298.2930 -143.5538 -116.0484 760634.2367 -6.3609 -6.3691 PRESSURE: 2280600 -126.216 -219.33 -115.237 -219.329 29.523 99.0381 -115.236 99.0375 -616.53 GPRESSURE: 2280600 -91.8342 -185.342 -146.595 -161.694 38.148 65.6573 -39.2247 185.207 -552.569 PRESSAVG: 2280600 23.3372 -42.1925 15.9819 -42.1926 6.81283 8.47872 15.9818 8.47872 4.03516 GPRESSAVG: 2280600 22.7849 -43.1354 16.1406 -41.0409 7.67375 8.94045 15.1017 7.25327 4.03347 TIMING: 2280600 CPU: 7206.49, 0.00314542/step Wall: 7206.49, 0.00314542/step, 2.37602 hours remaining, 236.031250 MB of memory in use. ENERGY: 2280600 4026.4216 20460.4058 14420.7975 249.0535 -203791.5757 2852.7417 0.0000 0.0000 51881.9227 -109900.2327 298.1661 -161782.1555 -109542.6752 298.0373 -237.7409 -202.0851 760102.5168 11.3951 11.4974 PRESSURE: 2280800 310.334 -151.486 7.30274 -151.487 96.3408 79.7795 7.30276 79.7794 403.889 GPRESSURE: 2280800 298.528 -44.216 70.9744 -56.5664 173.689 58.8847 74.9528 153.127 435.263 PRESSAVG: 2280800 61.0445 -15.2166 8.68896 -15.2167 -54.2461 -13.1715 8.68891 -13.1715 14.0844 GPRESSAVG: 2280800 59.8671 -13.9865 8.47644 -14.9249 -53.7408 -15.6386 11.0714 -9.39673 15.0597 TIMING: 2280800 CPU: 7207.12, 0.00315143/step Wall: 7207.12, 0.00315143/step, 2.38038 hours remaining, 236.031250 MB of memory in use. ENERGY: 2280800 3962.2798 20473.2193 14458.4348 251.4757 -204018.8806 3025.1232 0.0000 0.0000 51921.7006 -109926.6474 298.3947 -161848.3480 -109568.2684 297.6563 270.1879 302.4935 761270.5479 6.9610 7.0620 PRESSURE: 2281000 -227.688 -84.4393 22.0209 -84.4387 53.9694 -117.765 22.0204 -117.765 -534.61 GPRESSURE: 2281000 -91.0187 -109.832 95.1009 -57.404 -28.0716 -134.912 74.69 -191.412 -507.169 PRESSAVG: 2281000 19.6562 -31.3926 27.6928 -31.3927 -7.08242 21.4142 27.6928 21.4141 1.65399 GPRESSAVG: 2281000 18.8639 -30.9739 27.6805 -30.7174 -7.5636 21.2812 26.6227 19.9459 2.43728 TIMING: 2281000 CPU: 7207.75, 0.00314927/step Wall: 7207.75, 0.00314927/step, 2.37857 hours remaining, 236.031250 MB of memory in use. ENERGY: 2281000 3973.2067 20408.7588 14445.1696 224.6767 -203473.5900 2445.2520 0.0000 0.0000 52014.5933 -109961.9330 298.9286 -161976.5262 -109590.2555 297.8713 -236.1094 -208.7532 763283.0307 4.7426 4.5792 PRESSURE: 2281200 -214.485 -136.144 -89.2484 -136.144 -75.1678 -34.554 -89.2486 -34.5534 67.9596 GPRESSURE: 2281200 -137.043 -195.279 -90.9302 -201.835 -62.8189 -0.611672 -120.235 -120.611 90.6705 PRESSAVG: 2281200 47.0349 -30.6616 61.3541 -30.6616 -81.4944 17.599 61.354 17.599 9.1211 GPRESSAVG: 2281200 47.867 -30.0765 61.3355 -33.078 -80.9407 19.4658 60.3605 18.4182 8.06609 TIMING: 2281200 CPU: 7208.38, 0.00315633/step Wall: 7208.38, 0.00315633/step, 2.38373 hours remaining, 236.031250 MB of memory in use. ENERGY: 2281200 4039.8807 20308.4466 14503.5909 240.8411 -203413.6290 2601.7241 0.0000 0.0000 51952.4072 -109766.7385 298.5712 -161719.1457 -109407.7872 298.2027 -73.8976 -36.3972 762825.6667 -8.4461 -8.3359 PRESSURE: 2281400 12.2293 118.493 226.382 118.493 -371.555 -141.313 226.382 -141.312 -16.5018 GPRESSURE: 2281400 -31.3592 73.9997 286.993 -58.8992 -241.495 -132.76 92.9063 -180.909 -17.8231 PRESSAVG: 2281400 88.5022 -35.787 42.8372 -35.787 -44.1663 21.6523 42.8372 21.6522 5.94824 GPRESSAVG: 2281400 87.3261 -38.9055 43.4148 -37.0045 -44.7927 22.0526 44.9895 19.49 7.86346 TIMING: 2281400 CPU: 7209.02, 0.00316867/step Wall: 7209.02, 0.00316867/step, 2.39287 hours remaining, 236.031250 MB of memory in use. ENERGY: 2281400 3937.3764 20517.0588 14526.6512 257.0175 -203465.1426 2538.7960 0.0000 0.0000 51927.8309 -109760.4118 298.4300 -161688.2427 -109401.0917 298.3837 -125.2760 -96.8924 761673.4895 16.7614 16.7989 PRESSURE: 2281600 -82.7083 -294.455 -228.073 -294.455 -21.7064 -111.466 -228.073 -111.467 -430.327 GPRESSURE: 2281600 8.15669 -214.494 -181.713 -225.324 -61.2717 -217.086 -88.8923 29.7949 -413.599 PRESSAVG: 2281600 87.8641 -66.2386 5.11521 -66.2385 -88.0448 -33.4527 5.1152 -33.4527 -3.22994 GPRESSAVG: 2281600 87.8729 -65.6386 4.40278 -64.4608 -88.3077 -33.0526 4.15159 -30.8847 -2.88552 TIMING: 2281600 CPU: 7209.65, 0.0031505/step Wall: 7209.65, 0.0031505/step, 2.37898 hours remaining, 236.031250 MB of memory in use. ENERGY: 2281600 3975.5706 20512.1444 14462.8628 241.0788 -203234.2557 2351.2918 0.0000 0.0000 51941.2644 -109750.0427 298.5072 -161691.3072 -109385.4902 298.5256 -178.2474 -155.5714 761742.3349 -1.1369 -1.1068 PRESSURE: 2281800 14.4122 -235.899 131.018 -235.899 -171.744 -223.656 131.019 -223.655 -458.915 GPRESSURE: 2281800 -6.86587 -177.36 218.213 -150.25 -83.8361 -197.75 211.209 -108.911 -445.815 PRESSAVG: 2281800 48.4808 -18.4264 35.8877 -18.4265 -24.5814 -56.5284 35.8878 -56.5284 10.1565 GPRESSAVG: 2281800 49.4541 -15.1729 37.1797 -19.4082 -23.7107 -57.9142 35.1296 -57.5984 7.76613 TIMING: 2281800 CPU: 7210.28, 0.00315217/step Wall: 7210.28, 0.00315217/step, 2.38006 hours remaining, 236.031250 MB of memory in use. ENERGY: 2281800 4008.4770 20355.8043 14533.9247 258.7301 -203243.4154 2399.0066 0.0000 0.0000 51966.3780 -109721.0947 298.6515 -161687.4727 -109363.0871 298.6553 -205.4158 -178.8390 762333.9373 11.3520 11.1698 PRESSURE: 2282000 3.7902 87.6123 -65.297 87.6132 -77.5892 5.70158 -65.2966 5.70213 -124.45 GPRESSURE: 2282000 21.3134 137.733 -74.0712 82.4914 -129.155 35.8177 -87.1018 -31.6014 5.95417 PRESSAVG: 2282000 60.5464 -8.80123 28.08 -8.80121 -56.5234 16.7847 28.0799 16.7847 7.99684 GPRESSAVG: 2282000 61.0676 -8.7011 26.7501 -7.43899 -57.911 18.6229 30.6007 16.2436 9.14985 TIMING: 2282000 CPU: 7210.91, 0.00316091/step Wall: 7210.91, 0.00316091/step, 2.38649 hours remaining, 236.031250 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: 2282000 3917.1492 20520.8303 14459.1818 232.7021 -203767.7523 2997.1053 0.0000 0.0000 52056.9896 -109583.7940 299.1722 -161640.7836 -109223.2768 298.8413 -66.0829 -33.9626 762803.6886 4.0066 4.1021 PRESSURE: 2282200 6.48639 -124.428 198.065 -124.427 -3.59455 196.877 198.065 196.877 -6.39027 GPRESSURE: 2282200 12.4701 -77.1188 192.223 -171.824 23.0249 167.834 116.625 259.788 38.478 PRESSAVG: 2282200 58.4318 31.4534 37.0327 31.4534 -3.53623 -28.18 37.0328 -28.18 -1.13617 GPRESSAVG: 2282200 58.3629 28.8087 36.3482 31.5062 -3.71704 -29.0713 33.5047 -27.358 -1.13921 TIMING: 2282200 CPU: 7211.54, 0.00314985/step Wall: 7211.54, 0.00314985/step, 2.37796 hours remaining, 236.031250 MB of memory in use. ENERGY: 2282200 4034.6164 20563.4597 14448.2368 250.5160 -203601.7793 2703.4184 0.0000 0.0000 52333.4769 -109268.0551 300.7612 -161601.5321 -108913.0691 299.0747 -1.1661 24.6577 762215.3522 17.9198 17.8356 PRESSURE: 2282400 -137.183 94.3272 84.3558 94.3269 -29.8059 -179.976 84.3555 -179.975 0.962822 GPRESSURE: 2282400 -76.41 57.6213 30.9841 158.667 -7.44698 -197.448 22.5987 -185.483 -0.321222 PRESSAVG: 2282400 23.9139 -15.0243 30.2599 -15.0243 -27.0721 -12.8167 30.2598 -12.8167 14.2388 GPRESSAVG: 2282400 24.4966 -15.4256 29.6932 -14.252 -27.1079 -15.1731 32.4937 -13.3912 14.3281 TIMING: 2282400 CPU: 7212.17, 0.00314186/step Wall: 7212.17, 0.00314186/step, 2.37175 hours remaining, 236.031250 MB of memory in use. ENERGY: 2282400 4030.6948 20590.7322 14501.6134 242.0257 -203334.0997 2802.2731 0.0000 0.0000 51704.4311 -109462.3293 297.1461 -161166.7604 -109102.5070 299.4446 -55.3419 -28.0594 763469.4991 3.6936 3.9056 PRESSURE: 2282600 -350.199 -171.315 -6.98265 -171.315 -238.277 85.6532 -6.98207 85.6526 -718.468 GPRESSURE: 2282600 -346.606 -118.166 7.76753 -284.656 -172.979 100.239 -60.9923 13.3405 -718.658 PRESSAVG: 2282600 -39.0738 4.54924 8.1935 4.54923 29.6856 25.0007 8.19345 25.0006 -25.8046 GPRESSAVG: 2282600 -39.6285 5.50712 8.96281 2.31958 31.926 26.0247 7.15338 25.8141 -27.3285 TIMING: 2282600 CPU: 7212.79, 0.0031286/step Wall: 7212.79, 0.0031286/step, 2.36158 hours remaining, 236.031250 MB of memory in use. ENERGY: 2282600 4049.0139 20540.3676 14486.9577 215.5052 -203599.1327 2854.0102 0.0000 0.0000 52199.6957 -109253.5824 299.9924 -161453.2781 -108893.6321 299.4836 -435.6477 -412.7478 762165.9959 -11.7309 -11.6770 PRESSURE: 2282800 -411.602 112.448 116.565 112.449 -329.562 36.0033 116.566 36.0031 -195.188 GPRESSURE: 2282800 -425.024 101.428 128.286 47.1472 -224.296 24.7532 99.6157 -7.38676 -197.255 PRESSAVG: 2282800 -47.9163 -48.7393 37.6733 -48.7393 46.267 30.6079 37.6732 30.6078 27.3723 GPRESSAVG: 2282800 -46.3958 -48.608 39.6146 -48.4882 45.8119 30.4355 38.5788 32.5962 26.3156 TIMING: 2282800 CPU: 7213.42, 0.00313718/step Wall: 7213.42, 0.00313718/step, 2.36787 hours remaining, 236.031250 MB of memory in use. ENERGY: 2282800 4024.1839 20510.2954 14511.4338 259.0264 -203235.7843 2466.7816 0.0000 0.0000 52191.6224 -109272.4410 299.9460 -161464.0633 -108918.5044 299.4524 -312.1177 -282.1917 762080.3487 8.5743 8.5772 PRESSURE: 2283000 -35.2609 -2.79297 -70.3156 -2.79316 98.6307 8.18629 -70.3153 8.18589 -158.378 GPRESSURE: 2283000 1.25995 43.1966 -113.651 81.9539 83.5223 39.2767 2.36715 112.069 -87.8364 PRESSAVG: 2283000 -3.11486 -15.3455 81.6398 -15.3455 25.6907 7.61672 81.6398 7.61674 -15.7971 GPRESSAVG: 2283000 -3.76563 -15.7233 80.3749 -12.9765 24.512 9.4059 82.3228 5.77191 -13.8071 TIMING: 2283000 CPU: 7214.05, 0.00313677/step Wall: 7214.05, 0.00313677/step, 2.36739 hours remaining, 236.031250 MB of memory in use. ENERGY: 2283000 4062.4714 20459.5142 14505.8122 240.4335 -203621.1971 2931.0887 0.0000 0.0000 52246.9170 -109174.9602 300.2638 -161421.8772 -108811.9941 299.8466 -31.6693 -1.0181 761446.2769 2.2596 2.3131 PRESSURE: 2283200 380.806 80.0176 28.8677 80.0171 31.0018 158.132 28.8675 158.132 514.9 GPRESSURE: 2283200 383.706 164.36 67.6478 -3.15207 93.7685 138.593 55.7569 155.068 525.163 PRESSAVG: 2283200 -27.5118 -52.7879 41.3298 -52.7878 41.9665 -0.707234 41.3297 -0.707244 16.6474 GPRESSAVG: 2283200 -28.5795 -52.345 40.4482 -54.9974 41.6668 -0.757995 40.9499 -1.82115 17.969 TIMING: 2283200 CPU: 7214.68, 0.00314725/step Wall: 7214.68, 0.00314725/step, 2.37512 hours remaining, 236.031250 MB of memory in use. ENERGY: 2283200 3994.6999 20526.1063 14455.0154 240.5009 -203866.9066 3009.7919 0.0000 0.0000 52306.3041 -109334.4882 300.6050 -161640.7923 -108964.3022 299.6907 308.9028 334.2125 762343.4491 10.3673 10.3521 PRESSURE: 2283400 49.0915 -221.56 -10.273 -221.56 -279.119 46.135 -10.2734 46.1342 -0.733461 GPRESSURE: 2283400 34.1259 -140.151 -70.8273 -159.549 -228.849 123.018 -117.806 48.4012 48.4246 PRESSAVG: 2283400 12.9116 -25.2803 0.968595 -25.2803 -2.30381 -14.2953 0.968544 -14.2952 26.9558 GPRESSAVG: 2283400 13.4808 -24.8403 1.77613 -25.1903 -1.10517 -15.0956 0.282964 -13.9604 25.6707 TIMING: 2283400 CPU: 7215.3, 0.00312968/step Wall: 7215.3, 0.00312968/step, 2.36169 hours remaining, 236.031250 MB of memory in use. ENERGY: 2283400 4045.8996 20545.4779 14532.1911 259.3099 -203427.0161 2880.8438 0.0000 0.0000 52060.0743 -109103.2195 299.1900 -161163.2938 -108743.8672 299.8040 -76.9203 -48.7661 761390.9543 12.5212 12.6821 PRESSURE: 2283600 -0.289077 -86.8555 -208.081 -86.8555 -174.317 322.638 -208.08 322.637 -169.667 GPRESSURE: 2283600 -16.9361 -98.6718 -209.504 -81.2034 -206.581 274.967 -181.59 286.8 -21.6639 PRESSAVG: 2283600 23.9657 -30.5047 9.34964 -30.5046 -18.7584 -6.0681 9.34963 -6.06805 -21.9917 GPRESSAVG: 2283600 23.0867 -31.122 8.27062 -31.0124 -19.6263 -6.6348 9.49457 -4.31006 -20.6242 TIMING: 2283600 CPU: 7215.94, 0.00316557/step Wall: 7215.94, 0.00316556/step, 2.38859 hours remaining, 236.031250 MB of memory in use. ENERGY: 2283600 4028.3645 20663.3759 14481.8433 258.8012 -203589.6019 2745.1705 0.0000 0.0000 52206.2337 -109205.8128 300.0299 -161412.0465 -108851.4177 299.9980 -114.7577 -81.7268 761289.5901 -5.5948 -5.7213 PRESSURE: 2283800 -108.955 -67.8022 34.9469 -67.8024 -235.472 -276.078 34.9468 -276.078 227.76 GPRESSURE: 2283800 -51.0263 -65.8922 127.573 -20.728 -176.796 -238.617 122.181 -128.045 184.448 PRESSAVG: 2283800 16.6065 -23.0474 20.8522 -23.0474 5.14609 1.07064 20.8522 1.07061 7.80295 GPRESSAVG: 2283800 16.5564 -24.127 20.4068 -20.607 7.2955 2.06439 20.1858 -0.062952 6.14222 TIMING: 2283800 CPU: 7216.57, 0.00314204/step Wall: 7216.57, 0.00314204/step, 2.37067 hours remaining, 236.031250 MB of memory in use. ENERGY: 2283800 3984.7154 20494.9425 14497.5886 267.1389 -203432.5056 2634.5411 0.0000 0.0000 52303.3434 -109250.2357 300.5880 -161553.5791 -108877.5027 299.8325 -38.8891 -14.4580 760918.2224 9.8518 9.9980 PRESSURE: 2284000 -294.291 72.7068 23.1117 72.7064 -231.685 -142.048 23.1121 -142.047 -388.842 GPRESSURE: 2284000 -245.116 34.1997 77.8581 13.1389 -216.333 -111.951 -17.0934 -96.4858 -368.5 PRESSAVG: 2284000 36.3427 -8.0012 -28.7363 -8.00121 -18.6377 11.6788 -28.7362 11.6789 -6.22386 GPRESSAVG: 2284000 37.6398 -7.20551 -28.6305 -8.9358 -19.3827 10.9209 -27.6528 12.3127 -6.3025 TIMING: 2284000 CPU: 7217.19, 0.00314612/step Wall: 7217.19, 0.00314612/step, 2.37357 hours remaining, 236.289062 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: 2284000 4053.1480 20673.6541 14501.8911 261.8327 -203084.7926 2178.8012 0.0000 0.0000 52191.0574 -109224.4080 299.9427 -161415.4654 -108864.8232 299.9095 -304.9393 -276.6494 760883.7219 3.8270 3.9849 PRESSURE: 2284200 -31.936 -25.6802 -47.6471 -25.6809 551.265 62.807 -47.6466 62.8075 32.1135 GPRESSURE: 2284200 24.3797 12.4511 24.213 74.7547 534.391 45.171 96.9035 -20.9657 64.7055 PRESSAVG: 2284200 -33.9244 -17.7155 20.7408 -17.7155 2.56167 -47.502 20.7409 -47.502 24.7071 GPRESSAVG: 2284200 -34.2027 -18.1299 21.5522 -15.443 1.24663 -48.1398 19.8892 -48.1476 26.3417 TIMING: 2284200 CPU: 7217.82, 0.00314052/step Wall: 7217.82, 0.00314052/step, 2.36917 hours remaining, 236.289062 MB of memory in use. ENERGY: 2284200 4033.9073 20683.9313 14434.1069 265.3597 -203859.6083 3011.1970 0.0000 0.0000 52230.9301 -109200.1759 300.1719 -161431.1059 -108835.6647 299.5059 183.8142 207.8256 758940.0634 -2.2185 -2.2048 LDB: ============= START OF LOAD BALANCING ============== 7230.36 LDB: ============== END OF LOAD BALANCING =============== 7230.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7230.36 LDB: ============= START OF LOAD BALANCING ============== 7230.67 LDB: Largest compute 7031 load 0.031443 is 16.1% of average load 0.195522 LDB: Average compute 0.004397 is 2.2% of average load 0.195522 LDB: TIME 7230.67 LOAD: AVG 0.195522 MAX 0.214619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.793 MB LDB: TIME 7230.68 LOAD: AVG 0.195522 MAX 0.214619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.793 MB LDB: TIME 7230.68 LOAD: AVG 0.195522 MAX 0.214619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.793 MB LDB: ============== END OF LOAD BALANCING =============== 7230.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7230.68 PRESSURE: 2284400 232.556 -19.9215 196.272 -19.9213 -125.877 -112.66 196.273 -112.66 25.4002 GPRESSURE: 2284400 240.248 -34.3672 205.777 -80.3401 -49.1678 -43.6592 186.595 -89.1365 27.4943 PRESSAVG: 2284400 2.54806 -18.1459 -6.77568 -18.1458 -7.23251 -4.89406 -6.77571 -4.89408 3.99964 GPRESSAVG: 2284400 3.16993 -17.6236 -5.32745 -20.6855 -6.25439 -3.45707 -8.28862 -5.01744 2.25552 TIMING: 2284400 CPU: 7218.47, 0.00321303/step Wall: 7218.47, 0.00321303/step, 2.42369 hours remaining, 236.156250 MB of memory in use. ENERGY: 2284400 3946.7623 20664.1653 14489.7138 237.2016 -203253.6044 2767.6463 0.0000 0.0000 52099.5811 -109048.5341 299.4170 -161148.1152 -108682.1539 299.7950 44.0263 72.8583 762488.9486 -0.2283 -0.2763 PRESSURE: 2284600 211.771 -54.2457 -194.566 -54.2464 100.454 -39.003 -194.566 -39.0022 111.752 GPRESSURE: 2284600 315.586 -158.27 -222.119 -35.2846 74.3002 78.1526 -234.309 -106.98 131.328 PRESSAVG: 2284600 72.5466 20.4924 8.68919 20.4924 -45.1532 -49.0093 8.6891 -49.0093 14.908 GPRESSAVG: 2284600 72.1476 20.4175 7.6975 19.1438 -45.5582 -50.2075 9.1002 -49.6933 15.7346 TIMING: 2284600 CPU: 7219.09, 0.00313897/step Wall: 7219.09, 0.00313897/step, 2.36766 hours remaining, 236.156250 MB of memory in use. ENERGY: 2284600 3986.7295 20703.2420 14504.1963 252.4201 -203706.1955 2761.8760 0.0000 0.0000 52219.6703 -109278.0613 300.1072 -161497.7316 -108913.7856 299.7626 141.3259 173.7380 761575.2452 14.1005 14.1080 PRESSURE: 2284800 403.637 67.1028 294.004 67.1028 -9.32606 114.875 294.004 114.875 -184.815 GPRESSURE: 2284800 349.37 35.2069 218.516 88.408 13.4139 109.697 288.985 48.468 -89.4496 PRESSAVG: 2284800 -3.08573 -1.63586 -70.5332 -1.63588 17.7272 -9.45361 -70.5332 -9.45358 -28.0414 GPRESSAVG: 2284800 -2.04294 -1.32034 -71.698 -1.477 17.2418 -7.61889 -70.4626 -11.0206 -28.5644 TIMING: 2284800 CPU: 7219.72, 0.0031493/step Wall: 7219.72, 0.0031493/step, 2.37527 hours remaining, 236.156250 MB of memory in use. ENERGY: 2284800 3993.6803 20647.3768 14519.6994 256.8416 -203238.3552 2675.2290 0.0000 0.0000 52105.9645 -109039.5636 299.4537 -161145.5281 -108673.0247 300.1856 69.8318 91.1113 762014.0633 -4.4667 -4.4552 PRESSURE: 2285000 -407.106 -54.9002 183.495 -54.9003 -101.304 -69.0401 183.496 -69.0406 18.9235 GPRESSURE: 2285000 -302.476 -109.66 215.68 -41.4914 -66.7468 -128.864 136.08 -16.0026 -49.2898 PRESSAVG: 2285000 14.6364 -11.2666 -15.7522 -11.2667 10.9029 -24.5148 -15.7521 -24.5149 -2.57729 GPRESSAVG: 2285000 13.8587 -14.2295 -15.5371 -7.36022 11.2767 -24.8219 -15.594 -22.343 -1.83648 TIMING: 2285000 CPU: 7220.36, 0.00317139/step Wall: 7220.36, 0.00317139/step, 2.39175 hours remaining, 236.156250 MB of memory in use. ENERGY: 2285000 3992.1291 20584.0880 14550.9298 258.0188 -203025.4823 2310.4570 0.0000 0.0000 52265.5078 -109064.3517 300.3706 -161329.8596 -108698.2592 299.6344 -163.1621 -139.5040 761850.5280 7.6540 7.7663 PRESSURE: 2285200 155.25 -162.688 288.119 -162.688 241.686 82.1771 288.119 82.1774 328.012 GPRESSURE: 2285200 181.348 -139.055 181.397 -119.726 241.214 52.6391 167.691 53.7279 364.698 PRESSAVG: 2285200 -23.9392 -21.2781 9.40147 -21.2782 5.84074 -14.8848 9.40145 -14.8849 3.8515 GPRESSAVG: 2285200 -24.8739 -19.3589 7.85836 -22.7431 7.04666 -15.3872 7.99299 -14.3024 3.51387 TIMING: 2285200 CPU: 7220.99, 0.00314514/step Wall: 7220.99, 0.00314514/step, 2.37179 hours remaining, 236.156250 MB of memory in use. ENERGY: 2285200 4046.1793 20560.7017 14438.7977 243.9519 -203238.2825 2820.3128 0.0000 0.0000 52092.2600 -109036.0792 299.3749 -161128.3391 -108677.9234 299.9624 241.6494 262.4201 761429.1603 -4.7490 -4.7711 PRESSURE: 2285400 47.4587 109.827 -5.32929 109.827 197.595 -158.31 -5.32804 -158.31 407.711 GPRESSURE: 2285400 95.3961 76.8048 -75.8751 -36.2771 215.033 -137.246 24.2996 -102.793 411.033 PRESSAVG: 2285400 -32.2541 -14.6098 16.7728 -14.6098 9.05758 -25.3777 16.7727 -25.3777 2.75133 GPRESSAVG: 2285400 -30.7914 -14.0422 18.1621 -15.2617 7.41624 -25.7743 16.4116 -27.0738 2.78138 TIMING: 2285400 CPU: 7221.62, 0.00316019/step Wall: 7221.62, 0.00316019/step, 2.38296 hours remaining, 236.156250 MB of memory in use. ENERGY: 2285400 3976.9215 20650.1449 14540.0267 251.2319 -203046.4242 2643.2125 0.0000 0.0000 51982.0099 -109002.8767 298.7413 -160984.8866 -108640.3239 299.8954 217.5880 240.4872 761307.9303 -6.8151 -6.8646 PRESSURE: 2285600 -258.701 63.9089 144.638 63.909 -265.115 313.213 144.639 313.214 -278.964 GPRESSURE: 2285600 -328.161 -35.3895 212.919 112.274 -131.955 333.09 113.018 237.086 -260.395 PRESSAVG: 2285600 -3.39135 -46.2498 10.642 -46.2498 53.5799 -28.7896 10.6421 -28.7896 20.4773 GPRESSAVG: 2285600 -5.57786 -47.7217 10.3373 -46.5363 55.8945 -28.2601 11.6567 -26.9341 20.3331 TIMING: 2285600 CPU: 7222.25, 0.0031413/step Wall: 7222.25, 0.0031413/step, 2.36854 hours remaining, 236.156250 MB of memory in use. ENERGY: 2285600 4018.1462 20444.0096 14394.1399 231.6034 -203137.5260 2543.1391 0.0000 0.0000 52177.3269 -109329.1609 299.8638 -161506.4878 -108958.9813 299.7374 -267.5935 -240.1703 761486.1490 23.5553 23.5499 PRESSURE: 2285800 219.62 -193.011 121.329 -193.012 475.474 -69.3415 121.329 -69.3419 194.509 GPRESSURE: 2285800 182.755 -195.961 59.1701 -259.193 511.631 -67.5595 83.3663 -257.232 271.742 PRESSAVG: 2285800 31.1915 -26.038 32.4765 -26.038 -5.0384 -2.54151 32.4765 -2.54151 19.6215 GPRESSAVG: 2285800 31.9686 -26.1675 33.2244 -26.7662 -4.97485 -1.88309 32.3385 -1.71088 18.653 TIMING: 2285800 CPU: 7222.88, 0.00314405/step Wall: 7222.88, 0.00314405/step, 2.37044 hours remaining, 236.156250 MB of memory in use. ENERGY: 2285800 3958.4800 20688.3028 14482.0400 238.3478 -203572.5662 3056.1107 0.0000 0.0000 51930.7132 -109218.5717 298.4465 -161149.2849 -108866.1484 299.2257 296.5343 322.0425 761023.7203 15.2582 15.2156 PRESSURE: 2286000 -15.4799 148.612 119.067 148.612 -220.106 48.6934 119.067 48.6933 75.8608 GPRESSURE: 2286000 74.802 198.673 84.9684 210.459 -161.528 63.6113 -54.6772 -30.3572 2.85326 PRESSAVG: 2286000 -4.7918 -29.1892 36.101 -29.1893 9.23799 -29.2737 36.1011 -29.2738 -28.3459 GPRESSAVG: 2286000 -3.94498 -28.6503 36.746 -29.5762 7.3871 -27.4797 35.5111 -30.4244 -27.6517 TIMING: 2286000 CPU: 7223.51, 0.00315681/step Wall: 7223.51, 0.00315681/step, 2.37988 hours remaining, 236.156250 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: 2286000 3963.5513 20645.6895 14459.7432 243.0832 -203459.3926 2510.6285 0.0000 0.0000 52474.6404 -109162.0565 301.5725 -161636.6969 -108797.6167 300.0431 -53.2419 -27.9577 762134.6046 -7.9666 -8.0699 PRESSURE: 2286200 197.673 -169.435 166.648 -169.435 -120.326 -4.20016 166.648 -4.2 -195.371 GPRESSURE: 2286200 220.405 -171.463 202.415 -183.636 -98.8449 -61.9669 87.0507 37.9651 -149.47 PRESSAVG: 2286200 25.4789 -19.7344 11.7669 -19.7344 -40.307 -55.2835 11.7669 -55.2836 9.86097 GPRESSAVG: 2286200 25.2175 -18.7116 11.3217 -18.2218 -39.4429 -57.2151 11.5045 -54.4207 9.37999 TIMING: 2286200 CPU: 7224.14, 0.00314458/step Wall: 7224.14, 0.00314458/step, 2.37049 hours remaining, 236.156250 MB of memory in use. ENERGY: 2286200 3946.6991 20398.0815 14516.8322 235.3832 -203287.7218 2930.7318 0.0000 0.0000 51989.5112 -109270.4828 298.7844 -161259.9940 -108904.3261 299.5346 -39.3414 -9.3034 762778.9354 -1.6557 -1.6151 PRESSURE: 2286400 -200.198 59.9093 -20.6279 59.9092 -312.343 -356.767 -20.6286 -356.768 149.242 GPRESSURE: 2286400 -87.9872 -47.828 -33.7667 23.7275 -300.683 -315.674 51.1902 -339.887 128.491 PRESSAVG: 2286400 -0.664351 9.95123 45.2783 9.95127 15.4869 0.855441 45.2782 0.855498 -8.83495 GPRESSAVG: 2286400 -0.87845 9.78783 43.6782 7.64385 15.6021 1.94726 45.4861 1.56126 -8.99548 TIMING: 2286400 CPU: 7224.76, 0.00314621/step Wall: 7224.76, 0.00314621/step, 2.37154 hours remaining, 236.156250 MB of memory in use. ENERGY: 2286400 4054.7750 20560.4390 14487.3985 248.4679 -202752.6202 2340.2664 0.0000 0.0000 51968.9034 -109092.3701 298.6660 -161061.2734 -108749.5159 299.4562 -121.0995 -86.7266 761690.3084 1.9959 1.9094 PRESSURE: 2286600 215.14 -46.7559 229.078 -46.756 -55.7324 105.24 229.078 105.239 -29.5381 GPRESSURE: 2286600 271.153 -88.2087 276.429 -40.6205 -53.7301 132.995 93.4249 145.133 -11.9289 PRESSAVG: 2286600 -5.4388 12.2265 71.9409 12.2265 29.6707 -13.4355 71.9408 -13.4355 -0.120135 GPRESSAVG: 2286600 -6.29483 11.9916 73.3379 14.3631 29.5181 -15.164 71.9234 -12.7636 1.13671 TIMING: 2286600 CPU: 7225.39, 0.00313918/step Wall: 7225.39, 0.00313918/step, 2.36607 hours remaining, 236.156250 MB of memory in use. ENERGY: 2286600 3983.1623 20507.4585 14476.7196 246.4083 -203383.3981 2896.6938 0.0000 0.0000 52225.3134 -109047.6421 300.1396 -161272.9556 -108689.0719 299.8126 43.2899 68.4981 761038.0929 8.0373 8.1200 PRESSURE: 2286800 -509.406 -263.506 222.917 -263.505 -541.246 -23.5499 222.917 -23.55 -337.143 GPRESSURE: 2286800 -585.239 -202.26 207.841 -145.078 -384.79 -23.5999 159.165 -24.1405 -343.438 PRESSAVG: 2286800 92.0248 27.9742 58.642 27.9742 -76.9818 -21.0248 58.6421 -21.0248 18.2425 GPRESSAVG: 2286800 92.411 27.6822 57.8679 30.0045 -76.2364 -20.6496 58.397 -23.0437 17.3755 TIMING: 2286800 CPU: 7226.02, 0.00313103/step Wall: 7226.02, 0.00313103/step, 2.35975 hours remaining, 236.156250 MB of memory in use. ENERGY: 2286800 4042.3262 20568.1675 14470.2851 222.9592 -202538.6486 2078.7708 0.0000 0.0000 52113.4981 -109042.6418 299.4970 -161156.1399 -108675.1535 299.6608 -462.5986 -437.8222 762112.3192 11.0952 11.1833 PRESSURE: 2287000 -281.251 -133.456 95.4318 -133.456 -370.733 -234.708 95.432 -234.707 46.6723 GPRESSURE: 2287000 -236.455 -77.3776 142.553 -151.312 -350.613 -152.254 108.986 -137.585 36.7971 PRESSAVG: 2287000 -28.652 -78.0395 15.7643 -78.0395 33.0901 -47.7157 15.7644 -47.7156 -3.67175 GPRESSAVG: 2287000 -27.4069 -76.7403 15.5158 -81.0603 31.8811 -48.7971 18.1724 -45.4322 -3.55288 TIMING: 2287000 CPU: 7226.65, 0.00315956/step Wall: 7226.65, 0.00315956/step, 2.38108 hours remaining, 236.156250 MB of memory in use. ENERGY: 2287000 4000.9734 20680.8672 14483.9624 247.9629 -202642.3885 2216.0095 0.0000 0.0000 51893.3010 -109119.3122 298.2315 -161012.6132 -108753.9404 299.4873 -201.7705 -183.4236 761271.4012 0.2554 0.3071 PRESSURE: 2287200 -402.726 -80.8173 -80.665 -80.8178 -19.8777 182.796 -80.6651 182.796 -362.987 GPRESSURE: 2287200 -298.782 -88.397 53.3619 -22.3392 -81.9835 103.034 -115.305 299.692 -312.396 PRESSAVG: 2287200 6.34589 -13.6845 47.3915 -13.6845 8.56888 -19.1822 47.3915 -19.1822 -14.4773 GPRESSAVG: 2287200 6.1546 -15.4742 49.6844 -13.0957 7.70892 -18.6983 44.3944 -19.3107 -13.4897 TIMING: 2287200 CPU: 7227.28, 0.00313691/step Wall: 7227.28, 0.00313691/step, 2.36383 hours remaining, 236.156250 MB of memory in use. ENERGY: 2287200 3998.0191 20477.1329 14536.2895 260.6791 -202680.6766 2210.4544 0.0000 0.0000 52124.6671 -109073.4345 299.5612 -161198.1016 -108707.4110 299.5250 -261.8633 -231.0539 762147.2583 0.1458 0.1246 PRESSURE: 2287400 202.409 -100.698 -3.9007 -100.698 -209.424 -222.18 -3.90078 -222.181 -47.2326 GPRESSURE: 2287400 96.2316 14.4644 44.4521 -10.7121 -49.0883 -291.621 113.241 -163.598 -16.6823 PRESSAVG: 2287400 60.6876 -45.8737 38.1355 -45.8736 -31.1717 8.73243 38.1355 8.73238 10.9751 GPRESSAVG: 2287400 59.5937 -46.9475 36.6392 -44.7907 -30.9069 9.08479 39.4148 8.21621 11.1693 TIMING: 2287400 CPU: 7227.91, 0.00313362/step Wall: 7227.91, 0.00313362/step, 2.36118 hours remaining, 236.156250 MB of memory in use. ENERGY: 2287400 3994.6608 20505.0691 14429.4974 229.5374 -202875.3965 2423.1665 0.0000 0.0000 52267.6225 -109025.8428 300.3827 -161293.4653 -108659.2570 299.8821 -18.0825 10.1537 762332.8034 13.4970 13.2854 PRESSURE: 2287600 25.3212 287.041 -61.634 287.042 284.585 77.2353 -61.6342 77.2355 422.532 GPRESSURE: 2287600 81.1172 301.564 -30.7401 255.279 307.498 125.548 -64.4147 32.2206 432.767 PRESSAVG: 2287600 63.2547 27.9182 -4.09601 27.9183 -47.9938 -49.0826 -4.09606 -49.0826 7.53907 GPRESSAVG: 2287600 62.391 28.1835 -3.89897 27.1499 -46.2632 -49.8528 -4.6436 -50.1992 7.02966 TIMING: 2287600 CPU: 7228.53, 0.0031419/step Wall: 7228.53, 0.0031419/step, 2.36725 hours remaining, 236.156250 MB of memory in use. ENERGY: 2287600 4071.4622 20623.7459 14411.1079 250.4076 -203348.6165 2928.6738 0.0000 0.0000 52092.0611 -108971.1581 299.3738 -161063.2192 -108609.2167 300.3833 244.1458 273.7938 762524.7899 7.6000 7.7192 PRESSURE: 2287800 -339.639 -19.7856 143.466 -19.7857 -95.0302 -159.916 143.466 -159.916 160.541 GPRESSURE: 2287800 -350.002 53.4019 255.224 117.217 -111.18 -173.751 -91.3219 -221.258 267.088 PRESSAVG: 2287800 11.0056 -30.4446 -12.4959 -30.4446 14.5278 -11.5095 -12.4959 -11.5095 0.660172 GPRESSAVG: 2287800 12.6188 -29.0037 -12.8395 -30.7303 12.0965 -11.6244 -13.1919 -12.6847 1.27567 TIMING: 2287800 CPU: 7229.16, 0.00313382/step Wall: 7229.16, 0.00313382/step, 2.36099 hours remaining, 236.156250 MB of memory in use. ENERGY: 2287800 4030.6449 20447.9420 14476.8573 257.6018 -203254.5931 2814.3563 0.0000 0.0000 52082.9853 -109144.2056 299.3216 -161227.1908 -108776.8915 299.7740 -91.3758 -64.6980 763173.1504 8.7312 8.6636 PRESSURE: 2288000 107.516 6.25792 -56.5382 6.2576 199.748 -150.845 -56.5382 -150.846 615.69 GPRESSURE: 2288000 161.606 -111.699 -34.9422 -15.367 221.988 -179.204 -105.891 45.3483 612.104 PRESSAVG: 2288000 -34.8504 -40.9783 -3.84292 -40.9782 23.105 10.8091 -3.84295 10.809 1.70604 GPRESSAVG: 2288000 -35.3848 -42.2254 -5.58464 -39.1895 23.7946 11.8857 -3.04775 12.3003 1.43327 TIMING: 2288000 CPU: 7229.79, 0.00314085/step Wall: 7229.79, 0.00314085/step, 2.36611 hours remaining, 236.156250 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: 2288000 4010.5698 20515.0243 14493.1859 241.7064 -203946.4982 3313.5299 0.0000 0.0000 52363.1034 -109009.3785 300.9315 -161372.4818 -108639.3836 299.9053 307.6513 331.8992 760601.9881 -3.3464 -3.3856 PRESSURE: 2288200 86.8899 -115.026 183.739 -115.026 -50.2668 -133.145 183.741 -133.144 -376.316 GPRESSURE: 2288200 -11.6473 -78.6472 191.913 -10.7576 -3.01394 -111.448 216.855 -56.2869 -257.944 PRESSAVG: 2288200 -0.520905 -30.9641 -5.89479 -30.9641 8.69372 -7.99635 -5.89474 -7.99633 -32.7276 GPRESSAVG: 2288200 -0.384439 -30.2815 -5.45105 -31.8744 8.13724 -8.43907 -6.10221 -6.67456 -33.1338 TIMING: 2288200 CPU: 7230.42, 0.00313402/step Wall: 7230.42, 0.00313402/step, 2.36079 hours remaining, 236.156250 MB of memory in use. ENERGY: 2288200 3925.6956 20759.2887 14511.3087 243.8213 -203061.2082 2514.5756 0.0000 0.0000 52024.0557 -109082.4627 298.9830 -161106.5184 -108723.2393 299.3055 -113.2310 -90.8686 761744.5660 -8.1849 -8.4603 LDB: ============= START OF LOAD BALANCING ============== 7242.95 LDB: ============== END OF LOAD BALANCING =============== 7242.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7242.95 LDB: ============= START OF LOAD BALANCING ============== 7243.26 LDB: Largest compute 7060 load 0.030263 is 15.5% of average load 0.195586 LDB: Average compute 0.004366 is 2.2% of average load 0.195586 LDB: TIME 7243.27 LOAD: AVG 0.195586 MAX 0.218772 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.008 MB LDB: TIME 7243.27 LOAD: AVG 0.195586 MAX 0.218772 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: TIME 7243.27 LOAD: AVG 0.195586 MAX 0.214496 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: ============== END OF LOAD BALANCING =============== 7243.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7243.28 PRESSURE: 2288400 140.407 -126.298 111.109 -126.299 -56.3942 145.474 111.109 145.474 -298.231 GPRESSURE: 2288400 118.118 -143.213 48.3306 -192.288 -4.19821 60.0494 1.51258 217.428 -247.832 PRESSAVG: 2288400 34.4154 -93.3642 -23.0812 -93.3642 -35.8095 -16.6684 -23.0812 -16.6683 -29.428 GPRESSAVG: 2288400 33.9746 -94.4554 -21.9865 -91.4204 -34.7335 -16.3987 -23.2161 -16.7468 -30.0665 TIMING: 2288400 CPU: 7231.06, 0.00322504/step Wall: 7231.06, 0.00322504/step, 2.42917 hours remaining, 234.882812 MB of memory in use. ENERGY: 2288400 3914.5583 20656.0543 14558.2232 257.4165 -203200.2098 2656.7405 0.0000 0.0000 52081.8394 -109075.3777 299.3150 -161157.2170 -108707.9010 299.1076 -71.4062 -44.6373 762459.6416 -10.2740 -10.2751 PRESSURE: 2288600 107.272 -12.507 -45.2339 -12.5067 -254.008 -238.518 -45.2336 -238.519 -232.077 GPRESSURE: 2288600 142.57 -10.8347 -53.651 36.2142 -147.989 -195.973 12.7826 -274.374 -281.89 PRESSAVG: 2288600 -9.80862 -27.959 29.8903 -27.9589 -16.5101 5.07247 29.8902 5.07253 8.05132 GPRESSAVG: 2288600 -9.70139 -27.8384 28.131 -31.8689 -15.9665 5.45823 30.6354 4.08848 8.13948 TIMING: 2288600 CPU: 7231.69, 0.00314983/step Wall: 7231.69, 0.00314983/step, 2.37235 hours remaining, 235.085938 MB of memory in use. ENERGY: 2288600 3934.4925 20563.9791 14579.9186 243.5600 -202805.6909 2518.1210 0.0000 0.0000 51850.9463 -109114.6734 297.9881 -160965.6197 -108741.9278 299.0159 -126.2710 -95.7695 761646.0102 -6.0891 -5.8428 PRESSURE: 2288800 47.9501 16.58 42.1245 16.5806 349.096 89.5403 42.1245 89.541 146.933 GPRESSURE: 2288800 128.464 -46.9545 -23.2887 12.3461 353.98 109.251 148.06 -2.44972 137.292 PRESSAVG: 2288800 72.0543 -18.7954 20.6278 -18.7954 -81.3583 -36.7156 20.6278 -36.7156 -5.15289 GPRESSAVG: 2288800 72.569 -17.8527 20.6558 -16.9081 -82.309 -35.7068 19.4429 -36.8964 -4.87454 TIMING: 2288800 CPU: 7232.32, 0.00314916/step Wall: 7232.32, 0.00314916/step, 2.37167 hours remaining, 235.085938 MB of memory in use. ENERGY: 2288800 3946.7573 20480.2256 14570.4890 248.8364 -203023.7675 2751.6643 0.0000 0.0000 51968.7419 -109057.0529 298.6651 -161025.7949 -108693.0218 299.3564 181.3262 206.5790 762114.8396 -4.8190 -4.8715 PRESSURE: 2289000 -248.116 -17.8491 -32.2409 -17.8488 -270.704 -327.858 -32.2414 -327.859 -316.966 GPRESSURE: 2289000 -294.323 -55.0468 -44.4451 16.5556 -140.823 -272.962 80.0926 -349.347 -301.003 PRESSAVG: 2289000 13.5556 -60.7064 10.5403 -60.7064 10.9756 -45.738 10.5403 -45.7381 -25.2286 GPRESSAVG: 2289000 12.8954 -59.0513 12.3445 -61.7829 12.0604 -47.3424 9.89329 -45.8312 -25.684 TIMING: 2289000 CPU: 7232.94, 0.00312436/step Wall: 7232.94, 0.00312436/step, 2.35281 hours remaining, 235.085938 MB of memory in use. ENERGY: 2289000 4026.4483 20468.4796 14512.2298 235.5141 -203313.2473 2716.7777 0.0000 0.0000 52265.6406 -109088.1573 300.3714 -161353.7979 -108718.3709 299.1786 -278.5955 -245.3833 763635.3625 -0.2324 -0.2427 PRESSURE: 2289200 -104.388 31.6094 77.1421 31.6091 237.892 101.362 77.1435 101.362 -77.6629 GPRESSURE: 2289200 53.0274 19.8372 55.2414 -74.1902 184.088 103.746 64.6686 127.979 -96.1916 PRESSAVG: 2289200 9.11756 -101.406 39.8424 -101.406 -38.6687 -23.6245 39.8424 -23.6246 37.419 GPRESSAVG: 2289200 8.50515 -102.355 39.8967 -102.181 -38.9718 -22.7 42.0585 -22.4057 38.3125 TIMING: 2289200 CPU: 7233.57, 0.00313074/step Wall: 7233.57, 0.00313074/step, 2.35745 hours remaining, 235.085938 MB of memory in use. ENERGY: 2289200 3955.8251 20418.5105 14497.0093 239.1151 -202366.1230 2275.2744 0.0000 0.0000 52113.5726 -108866.8160 299.4974 -160980.3885 -108499.5078 299.6206 18.6137 46.9745 763723.1444 2.6226 2.6153 PRESSURE: 2289400 -117.645 60.9776 -157.734 60.9776 25.9481 200.195 -157.734 200.195 -314.142 GPRESSURE: 2289400 -83.3008 88.624 -72.2193 136.627 87.0488 154.378 -128.908 258.179 -317.635 PRESSAVG: 2289400 -1.10722 -2.73166 1.2635 -2.7316 -32.5555 -57.1343 1.26359 -57.1343 -0.715732 GPRESSAVG: 2289400 -0.855358 -2.03452 1.21021 -2.13915 -32.8351 -55.9232 -0.60625 -58.6319 -0.722006 TIMING: 2289400 CPU: 7234.2, 0.00314645/step Wall: 7234.2, 0.00314645/step, 2.3691 hours remaining, 235.085938 MB of memory in use. ENERGY: 2289400 4091.3593 20529.2404 14458.3428 248.9896 -202891.2717 2740.2686 0.0000 0.0000 51918.3720 -108904.6989 298.3756 -160823.0709 -108545.0705 299.6332 -135.2798 -104.6289 763363.3764 -11.4595 -11.4708 PRESSURE: 2289600 -184.972 -170.344 -314.519 -170.344 93.5004 -29.2982 -314.519 -29.2986 195.104 GPRESSURE: 2289600 -58.9312 -266.435 -290.465 -178.841 73.026 -35.0159 -203.068 -1.80588 168.527 PRESSAVG: 2289600 6.2896 -0.222558 -33.4888 -0.22257 -5.60288 2.97733 -33.4888 2.97739 20.6993 GPRESSAVG: 2289600 6.30227 -0.191444 -32.8314 0.664554 -5.72489 -0.266061 -34.7114 5.06644 20.3904 TIMING: 2289600 CPU: 7234.83, 0.00313529/step Wall: 7234.83, 0.00313529/step, 2.36053 hours remaining, 235.085938 MB of memory in use. ENERGY: 2289600 3940.9450 20444.4525 14423.4037 257.6972 -202985.8169 2725.6655 0.0000 0.0000 52123.3593 -109070.2938 299.5537 -161193.6531 -108714.4141 299.6409 34.5442 60.8741 763436.8782 7.1287 6.9892 PRESSURE: 2289800 -59.2545 -11.1982 -199.625 -11.1982 294.812 85.2978 -199.626 85.2985 1.49757 GPRESSURE: 2289800 123.96 -22.5277 -172.094 21.622 197.77 143.404 -166.526 -3.79139 16.1534 PRESSAVG: 2289800 41.4905 -28.2353 -48.5126 -28.2353 -33.2725 -48.1186 -48.5127 -48.1186 10.9495 GPRESSAVG: 2289800 41.5686 -31.2553 -48.5648 -27.6199 -33.4347 -47.5336 -47.6516 -48.607 10.7138 TIMING: 2289800 CPU: 7235.46, 0.00314548/step Wall: 7235.46, 0.00314548/step, 2.36802 hours remaining, 235.085938 MB of memory in use. ENERGY: 2289800 3976.1963 20307.3485 14452.9976 259.6258 -203111.7007 2867.1847 0.0000 0.0000 52157.5739 -109090.7738 299.7503 -161248.3478 -108729.4333 299.2497 79.0182 112.6278 762378.3003 6.3892 6.2826 PRESSURE: 2290000 58.1798 -180.62 70.105 -180.62 89.172 -125.142 70.1038 -125.142 204.209 GPRESSURE: 2290000 162.585 -123.881 37.6831 -192.581 173.478 -99.8496 -15.221 -139.496 117.668 PRESSAVG: 2290000 -7.79858 -50.2558 3.61719 -50.2558 8.31967 -12.3671 3.61712 -12.3671 14.2059 GPRESSAVG: 2290000 -6.85613 -49.6952 2.85243 -50.6853 8.93847 -10.3447 4.55987 -13.2056 13.1006 TIMING: 2290000 CPU: 7236.08, 0.003136/step Wall: 7236.08, 0.003136/step, 2.36071 hours remaining, 235.085938 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: 2290000 3972.5600 20402.8242 14454.2769 246.7148 -203115.7341 2746.0529 0.0000 0.0000 52079.5250 -109213.7802 299.3017 -161293.3052 -108850.6620 299.4220 117.1870 151.2438 761566.0141 4.9090 5.0610 PRESSURE: 2290200 158.388 56.6015 -120.721 56.6015 251.947 39.4017 -120.721 39.401 285.308 GPRESSURE: 2290200 185.25 132.316 -83.5469 113.358 254.407 32.2445 -144.155 2.34387 318.932 PRESSAVG: 2290200 -26.6467 -26.6677 -59.2031 -26.6677 -2.41172 -26.2505 -59.2032 -26.2505 -15.0486 GPRESSAVG: 2290200 -27.749 -25.3693 -58.7777 -25.6656 -1.83988 -27.2068 -60.1988 -25.9543 -15.5118 TIMING: 2290200 CPU: 7236.71, 0.0031432/step Wall: 7236.71, 0.0031432/step, 2.36596 hours remaining, 235.085938 MB of memory in use. ENERGY: 2290200 3899.9799 20598.6626 14414.2651 255.8501 -203595.8386 3030.9329 0.0000 0.0000 52093.3135 -109302.8345 299.3810 -161396.1480 -108943.3375 298.8211 231.8811 252.8629 761685.6845 -14.7023 -15.0336 PRESSURE: 2290400 228.562 131.807 -31.5703 131.806 -97.7195 -103.669 -31.5699 -103.668 352.965 GPRESSURE: 2290400 313.101 80.524 -28.9706 33.7268 -72.0241 -155.841 -25.7696 -49.9589 311.849 PRESSAVG: 2290400 -2.91176 50.5503 -54.8946 50.5503 18.9986 22.942 -54.8946 22.942 2.39738 GPRESSAVG: 2290400 -2.4086 49.0276 -55.8662 48.2849 18.1138 22.9615 -53.326 23.4602 2.48527 TIMING: 2290400 CPU: 7237.34, 0.00313656/step Wall: 7237.34, 0.00313656/step, 2.36078 hours remaining, 235.085938 MB of memory in use. ENERGY: 2290400 3911.1404 20407.5666 14487.6369 248.8694 -203259.4200 2755.7137 0.0000 0.0000 52103.1144 -109345.3785 299.4373 -161448.4929 -108985.7670 299.2116 161.2694 184.3085 762852.8736 6.1614 6.0635 PRESSURE: 2290600 231.002 167.207 -94.2584 167.207 102.236 45.2025 -94.2581 45.2018 318.516 GPRESSURE: 2290600 296.644 53.0332 -97.6622 173.075 160.925 113.224 -64.3704 64.8962 296.92 PRESSAVG: 2290600 -7.66609 20.6385 -19.0575 20.6385 -51.9349 -4.71222 -19.0575 -4.71221 11.7209 GPRESSAVG: 2290600 -8.45572 22.4134 -20.8953 22.2209 -53.3584 -5.33756 -17.7291 -3.30597 14.0022 TIMING: 2290600 CPU: 7237.97, 0.0031454/step Wall: 7237.97, 0.0031454/step, 2.36726 hours remaining, 235.085938 MB of memory in use. ENERGY: 2290600 3948.1430 20463.8651 14510.1707 240.0935 -203527.5528 3127.7009 0.0000 0.0000 51728.9204 -109508.6593 297.2868 -161237.5797 -109143.7367 298.6622 217.2513 251.4964 762648.5536 -15.9600 -15.9373 PRESSURE: 2290800 -212.413 -152.168 -20.98 -152.167 82.5993 -216.63 -20.9796 -216.63 -685.228 GPRESSURE: 2290800 -95.2055 -113.133 -136.892 -110.345 34.1236 -194.242 -11.6434 -135.259 -654.296 PRESSAVG: 2290800 -16.8694 -5.76404 -55.7642 -5.76407 18.2128 -11.7363 -55.7641 -11.7364 30.0939 GPRESSAVG: 2290800 -16.222 -5.65307 -52.3168 -5.04975 18.4024 -10.1109 -58.2917 -13.5842 29.286 TIMING: 2290800 CPU: 7238.6, 0.00314472/step Wall: 7238.6, 0.00314472/step, 2.36657 hours remaining, 235.085938 MB of memory in use. ENERGY: 2290800 4031.3591 20410.6057 14487.0852 256.3160 -203412.6699 2631.2688 0.0000 0.0000 51932.1732 -109663.8619 298.4549 -161596.0352 -109304.7506 298.1216 -271.6806 -238.4594 761376.9022 10.4791 10.4888 PRESSURE: 2291000 -211.42 -62.5604 -57.8011 -62.5607 -76.5217 -135.946 -57.8006 -135.947 -40.597 GPRESSURE: 2291000 -123.851 -89.4801 -82.1958 -112.664 -8.97838 -125.363 -153.865 -7.04876 -118.051 PRESSAVG: 2291000 6.6052 31.0571 -6.50778 31.057 28.9495 -1.65646 -6.50779 -1.65649 6.66783 GPRESSAVG: 2291000 5.27389 30.8091 -6.07568 29.892 31.0471 -4.17853 -8.20127 -2.4372 5.66214 TIMING: 2291000 CPU: 7239.23, 0.00314835/step Wall: 7239.23, 0.00314835/step, 2.36913 hours remaining, 235.085938 MB of memory in use. ENERGY: 2291000 3975.5257 20300.3466 14471.8782 237.6001 -203127.3037 2572.2013 0.0000 0.0000 51730.5924 -109839.1595 297.2964 -161569.7519 -109482.0883 298.2729 -109.5128 -83.6268 763569.0117 14.0742 13.9944 PRESSURE: 2291200 204.243 72.7556 13.864 72.7549 241.44 -21.0492 13.8638 -21.0478 35.8139 GPRESSURE: 2291200 351.992 261.995 -26.6378 25.6724 137.203 9.64983 26.0745 144.856 53.7116 PRESSAVG: 2291200 -6.15127 -29.0439 -60.2931 -29.0439 -1.51056 -4.07248 -60.2931 -4.07245 -17.145 GPRESSAVG: 2291200 -3.65143 -29.4579 -61.6351 -29.98 -3.28418 -1.49378 -57.1601 -5.05749 -17.3179 TIMING: 2291200 CPU: 7239.85, 0.00312615/step Wall: 7239.85, 0.00312615/step, 2.35225 hours remaining, 235.085938 MB of memory in use. ENERGY: 2291200 3940.9785 20612.3894 14468.9450 248.0688 -203377.8172 2691.9872 0.0000 0.0000 51655.0438 -109760.4047 296.8622 -161415.4485 -109406.0610 297.8911 160.4989 180.9688 761231.9565 -8.2690 -8.0845 PRESSURE: 2291400 32.3736 -75.1812 133.712 -75.1821 -104.581 -212.58 133.713 -212.58 74.3594 GPRESSURE: 2291400 61.4823 -7.47281 135.686 -89.518 -70.9041 -220.809 176.797 -143.757 79.8155 PRESSAVG: 2291400 -13.0066 0.161766 11.2737 0.161773 43.8113 -10.2448 11.2738 -10.2449 13.23 GPRESSAVG: 2291400 -14.4762 1.66761 10.8912 1.77685 44.7397 -12.739 10.7451 -8.70984 12.7974 TIMING: 2291400 CPU: 7240.48, 0.00312858/step Wall: 7240.48, 0.00312858/step, 2.35391 hours remaining, 235.085938 MB of memory in use. ENERGY: 2291400 4031.2288 20432.1407 14516.2319 230.4043 -203358.6153 2601.1559 0.0000 0.0000 51932.7545 -109614.6993 298.4583 -161547.4538 -109257.6179 297.9242 0.7172 23.4646 761181.5879 14.6783 14.3536 PRESSURE: 2291600 10.4426 69.4945 -59.2243 69.4943 65.7647 32.023 -59.2248 32.0237 -168.603 GPRESSURE: 2291600 14.2146 13.1603 -118.343 -55.1907 43.9552 41.0894 -1.98311 50.59 -64.7577 PRESSAVG: 2291600 -45.4857 24.1891 32.8614 24.1891 23.3086 6.54229 32.8614 6.54245 3.58493 GPRESSAVG: 2291600 -45.1224 21.4632 34.9419 24.5795 23.7826 7.70755 29.6526 6.45319 3.41286 TIMING: 2291600 CPU: 7241.1, 0.00312988/step Wall: 7241.1, 0.00312988/step, 2.35471 hours remaining, 235.085938 MB of memory in use. ENERGY: 2291600 3958.1386 20517.0817 14440.2016 279.0776 -203551.3002 2816.1207 0.0000 0.0000 51778.5196 -109762.1604 297.5719 -161540.6800 -109400.1274 297.6632 -30.7985 -2.1960 763835.7797 -6.1974 -5.9756 PRESSURE: 2291800 -69.6609 -127.235 88.5727 -127.234 -192.76 -154.401 88.5718 -154.4 247.94 GPRESSURE: 2291800 2.48013 -174.446 75.7432 -168.494 -248.437 -96.4124 113.772 -178.646 300.581 PRESSAVG: 2291800 16.5843 0.710151 10.0854 0.710108 -31.1434 -30.1652 10.0854 -30.1653 -7.87825 GPRESSAVG: 2291800 17.4945 1.13104 8.80721 2.32348 -31.1909 -30.5827 13.6282 -31.4335 -8.22796 TIMING: 2291800 CPU: 7241.73, 0.00315295/step Wall: 7241.73, 0.00315295/step, 2.3719 hours remaining, 235.085938 MB of memory in use. ENERGY: 2291800 3883.3620 20552.2237 14440.4939 250.2364 -203043.1278 2521.9458 0.0000 0.0000 51892.0971 -109502.7689 298.2246 -161394.8660 -109138.0792 297.8791 -4.8268 18.2080 761654.0034 -7.4791 -7.3081 PRESSURE: 2292000 -125.318 -98.7867 172.159 -98.7865 -75.0541 71.3088 172.159 71.3095 17.3633 GPRESSURE: 2292000 -63.5071 -216.674 190.299 -32.5459 -38.2865 7.76569 153.516 141.481 19.3307 PRESSAVG: 2292000 -17.2317 4.66918 42.4816 4.66921 7.91173 0.876289 42.4816 0.876233 -6.42097 GPRESSAVG: 2292000 -17.8511 4.57484 42.4977 3.64842 8.29138 1.77847 42.3256 2.17625 -5.97958 TIMING: 2292000 CPU: 7242.36, 0.00313678/step Wall: 7242.36, 0.00313678/step, 2.35955 hours remaining, 235.085938 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: 2292000 3973.5153 20531.5957 14448.2002 244.2521 -203125.0912 2662.1702 0.0000 0.0000 51991.8333 -109273.5243 298.7978 -161265.3576 -108912.7996 298.8766 -61.0029 -27.4877 762525.1379 -5.2470 -5.1798 PRESSURE: 2292200 24.6485 -84.1024 136.164 -84.1025 -69.3262 -39.4885 136.165 -39.4887 34.706 GPRESSURE: 2292200 91.7596 -103.976 30.8581 -31.0045 -70.0604 -34.2541 52.0686 -22.5039 76.5257 PRESSAVG: 2292200 35.4165 23.7382 25.1996 23.7381 -36.582 -30.7238 25.1996 -30.7238 10.2985 GPRESSAVG: 2292200 34.055 24.7372 24.5235 22.2571 -35.6562 -30.7813 23.4494 -31.8334 11.3917 TIMING: 2292200 CPU: 7242.99, 0.00313122/step Wall: 7242.99, 0.00313122/step, 2.3552 hours remaining, 235.085938 MB of memory in use. ENERGY: 2292200 3953.0844 20575.0299 14538.1205 239.7111 -202972.0662 2501.0441 0.0000 0.0000 52070.1311 -109094.9452 299.2478 -161165.0763 -108737.2955 298.7290 -3.3239 32.7416 762794.0007 3.0443 3.2635 LDB: ============= START OF LOAD BALANCING ============== 7255.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7255.52 LDB: =============== DONE WITH MIGRATION ================ 7255.52 LDB: ============= START OF LOAD BALANCING ============== 7255.84 LDB: Largest compute 7077 load 0.030316 is 15.5% of average load 0.195577 LDB: Average compute 0.004373 is 2.2% of average load 0.195577 LDB: TIME 7255.84 LOAD: AVG 0.195577 MAX 0.21454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.449 MB LDB: TIME 7255.84 LOAD: AVG 0.195577 MAX 0.21454 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.562 MB LDB: TIME 7255.84 LOAD: AVG 0.195577 MAX 0.21454 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.562 MB LDB: ============== END OF LOAD BALANCING =============== 7255.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7255.85 PRESSURE: 2292400 158.554 40.6174 -117.535 40.6172 79.4276 -338.967 -117.535 -338.968 -40.896 GPRESSURE: 2292400 94.2691 13.3384 -54.4413 -9.0708 147.855 -244.75 -81.5886 -308.807 56.874 PRESSAVG: 2292400 -9.53732 -43.3152 39.1216 -43.3152 -16.202 -54.3885 39.1215 -54.3885 -7.77069 GPRESSAVG: 2292400 -8.68423 -43.715 39.4329 -43.1642 -16.5021 -54.4558 41.1969 -53.7434 -8.36216 TIMING: 2292400 CPU: 7243.63, 0.00321553/step Wall: 7243.63, 0.00321553/step, 2.41843 hours remaining, 235.007812 MB of memory in use. ENERGY: 2292400 3981.5129 20541.7126 14421.0068 256.1093 -203116.6659 2871.3484 0.0000 0.0000 51904.1664 -109140.8095 298.2940 -161044.9758 -108779.4546 299.2855 65.6951 99.6660 762324.9843 -11.1700 -11.1828 PRESSURE: 2292600 248.623 -198.476 246.543 -198.476 357.198 37.9831 246.542 37.9839 -4.47923 GPRESSURE: 2292600 329.826 -112.41 195.352 -259.156 410.704 -67.0112 200.159 36.6925 -50.9499 PRESSAVG: 2292600 -0.560518 -5.65757 62.7967 -5.6576 36.4907 1.45602 62.7967 1.45611 20.0909 GPRESSAVG: 2292600 -0.00974047 -4.102 62.059 -6.85977 35.7552 1.21439 63.5485 0.601061 20.5379 TIMING: 2292600 CPU: 7244.26, 0.00314388/step Wall: 7244.26, 0.00314388/step, 2.36437 hours remaining, 235.007812 MB of memory in use. ENERGY: 2292600 3980.7343 20405.4342 14394.0169 248.6972 -203186.7136 2795.9742 0.0000 0.0000 52104.2227 -109257.6341 299.4437 -161361.8568 -108877.9971 298.9206 200.4473 229.8601 762761.8709 18.6737 18.7611 PRESSURE: 2292800 -181.325 100.196 69.4189 100.198 318.654 66.9051 69.418 66.9054 -316.509 GPRESSURE: 2292800 -76.2938 140.44 13.6404 104.393 293.459 15.3826 52.7812 31.8646 -303.682 PRESSAVG: 2292800 -37.5744 -16.8384 -17.0085 -16.8384 26.0751 7.37408 -17.0085 7.37414 0.889476 GPRESSAVG: 2292800 -38.3873 -16.7649 -16.6976 -14.7363 25.7843 6.65309 -17.297 8.47746 1.51429 TIMING: 2292800 CPU: 7244.89, 0.00313202/step Wall: 7244.89, 0.00313202/step, 2.35528 hours remaining, 235.007812 MB of memory in use. ENERGY: 2292800 3983.3846 20338.9278 14476.4374 253.5102 -203280.7455 2807.3274 0.0000 0.0000 52351.1176 -109070.0405 300.8626 -161421.1581 -108703.1718 299.5138 -59.7270 -28.8391 762689.3176 -3.5366 -3.6962 PRESSURE: 2293000 -346.714 168.922 165.182 168.921 -294.622 42.063 165.182 42.0635 -126.341 GPRESSURE: 2293000 -316.53 201.924 201.448 88.8045 -246.49 -26.3497 31.8571 -14.8588 -110.04 PRESSAVG: 2293000 26.3272 -52.902 6.66477 -52.902 -2.07547 -57.5207 6.66474 -57.5206 -3.00929 GPRESSAVG: 2293000 26.2049 -53.7945 6.95731 -51.8798 -1.4514 -56.8053 4.88972 -57.7561 -3.35111 TIMING: 2293000 CPU: 7245.51, 0.00313796/step Wall: 7245.51, 0.00313796/step, 2.35957 hours remaining, 235.007812 MB of memory in use. ENERGY: 2293000 3932.2124 20625.0769 14509.2279 242.9459 -202853.8432 2258.6160 0.0000 0.0000 52332.4544 -108953.3097 300.7553 -161285.7641 -108590.9651 299.9170 -255.8924 -224.3533 763976.9086 7.0808 7.1341 PRESSURE: 2293200 69.0795 -225.438 41.602 -225.438 96.8002 -1.63349 41.6012 -1.63297 130.598 GPRESSURE: 2293200 20.7604 -159.966 -48.1543 -94.4636 222.643 -78.7324 66.4351 29.919 146.022 PRESSAVG: 2293200 -62.3672 -51.1208 37.8241 -51.1207 3.91416 -12.4435 37.8241 -12.4435 3.08945 GPRESSAVG: 2293200 -61.9435 -51.1722 38.1391 -51.3894 3.16539 -12.6622 38.2974 -11.8426 3.06242 TIMING: 2293200 CPU: 7246.14, 0.00314169/step Wall: 7246.14, 0.00314169/step, 2.3622 hours remaining, 235.007812 MB of memory in use. ENERGY: 2293200 3944.5341 20404.9771 14506.6482 242.5045 -203146.0585 2858.3535 0.0000 0.0000 52093.8377 -109095.2033 299.3840 -161189.0410 -108736.8277 299.4505 98.8258 129.8084 763410.9105 -18.4545 -18.5719 PRESSURE: 2293400 -130.058 14.4244 90.6581 14.4249 -26.8257 -339.589 90.6568 -339.59 361.98 GPRESSURE: 2293400 -31.8547 93.7818 96.8707 127.036 54.8893 -320.562 101.991 -304.814 270.779 PRESSAVG: 2293400 12.7615 -43.4771 48.6857 -43.4771 18.5223 -25.2288 48.6856 -25.2288 -10.993 GPRESSAVG: 2293400 12.7252 -43.1645 47.9106 -43.5703 19.2368 -26.5318 48.9675 -23.7856 -11.3667 TIMING: 2293400 CPU: 7246.77, 0.0031377/step Wall: 7246.77, 0.0031377/step, 2.35903 hours remaining, 235.007812 MB of memory in use. ENERGY: 2293400 3907.6606 20491.3959 14462.0632 258.5261 -202937.7573 2604.2718 0.0000 0.0000 51929.6499 -109284.1897 298.4404 -161213.8396 -108925.0954 298.6727 68.3653 97.9378 762368.0998 6.7636 6.8651 PRESSURE: 2293600 151.19 -78.6679 -51.7573 -78.6683 -56.7936 -8.71085 -51.7582 -8.7107 -218.976 GPRESSURE: 2293600 159.021 -93.8702 18.2792 -97.5293 -48.3867 40.414 -27.8341 -22.661 -150.466 PRESSAVG: 2293600 22.9374 -41.8424 -5.22215 -41.8423 -31.2274 -2.9026 -5.22218 -2.9027 14.9855 GPRESSAVG: 2293600 23.6897 -42.2388 -4.92131 -40.1749 -31.1665 -2.1854 -5.26019 -5.13419 14.5418 TIMING: 2293600 CPU: 7247.39, 0.00312313/step Wall: 7247.39, 0.00312313/step, 2.3479 hours remaining, 235.007812 MB of memory in use. ENERGY: 2293600 3994.2809 20519.2448 14446.4280 252.9922 -203387.6860 2937.7609 0.0000 0.0000 52003.4103 -109233.5689 298.8643 -161236.9793 -108883.5135 298.7758 -41.5266 -13.2771 761318.2025 2.2318 2.3550 PRESSURE: 2293800 129.268 -188.192 -69.9832 -188.192 -35.5817 -99.7874 -69.9838 -99.7883 -53.0114 GPRESSURE: 2293800 116.959 -148.717 -10.7842 -80.6074 22.3646 -51.1571 -86.2158 -210.641 -23.9627 PRESSAVG: 2293800 5.77534 -55.1317 10.0831 -55.1317 -1.08001 -33.36 10.0831 -33.3601 -8.17506 GPRESSAVG: 2293800 3.9794 -56.474 10.5565 -55.482 -0.528595 -32.3119 8.83005 -33.3333 -7.07516 TIMING: 2293800 CPU: 7248.02, 0.00314332/step Wall: 7248.02, 0.00314332/step, 2.3629 hours remaining, 235.007812 MB of memory in use. ENERGY: 2293800 4055.4876 20528.9200 14485.8268 269.1052 -203110.8258 2586.3164 0.0000 0.0000 51975.5965 -109209.5732 298.7045 -161185.1697 -108861.6744 298.9099 13.5582 38.4535 763905.2098 -1.1599 -1.2081 PRESSURE: 2294000 -25.7066 -243.281 -207.37 -243.28 18.8783 34.2595 -207.37 34.2586 217.133 GPRESSURE: 2294000 -25.1178 -150.362 -204.8 -226.539 67.7488 25.669 -216.647 64.7397 254.711 PRESSAVG: 2294000 1.84936 -57.4961 -53.3864 -57.4961 -0.697411 -73.1485 -53.3863 -73.1486 24.2883 GPRESSAVG: 2294000 3.18161 -56.3862 -54.5599 -57.8655 -2.36143 -72.1236 -52.0208 -74.6376 24.3108 TIMING: 2294000 CPU: 7248.65, 0.00313833/step Wall: 7248.65, 0.00313833/step, 2.35898 hours remaining, 235.007812 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: 2294000 3919.5633 20460.4045 14405.8007 270.6668 -203231.4405 2920.0117 0.0000 0.0000 52161.3946 -109093.5989 299.7723 -161254.9935 -108730.5709 299.1996 70.1015 99.1140 765442.9474 8.4801 8.3770 PRESSURE: 2294200 -60.7823 263.93 170.392 263.93 175.012 -119.105 170.393 -119.105 -189.65 GPRESSURE: 2294200 -10.1884 191.641 171.202 321.837 119.922 -17.7319 98.0544 -191.038 -101.714 PRESSAVG: 2294200 -15.0715 -40.3476 -7.6078 -40.3475 -30.4866 -72.969 -7.6078 -72.9691 -22.5729 GPRESSAVG: 2294200 -15.9003 -42.6189 -4.89232 -39.3441 -29.7709 -74.9042 -8.01733 -71.7463 -22.6783 TIMING: 2294200 CPU: 7249.28, 0.00312265/step Wall: 7249.28, 0.00312265/step, 2.34702 hours remaining, 235.007812 MB of memory in use. ENERGY: 2294200 3947.3258 20561.4191 14466.1058 257.6018 -202943.8900 2756.5249 0.0000 0.0000 51949.3637 -109005.5489 298.5537 -160954.9126 -108648.3935 299.1876 -25.1400 2.6733 763966.2911 -22.7104 -22.7832 PRESSURE: 2294400 -45.3609 -85.796 -191.665 -85.7963 221.788 -62.4569 -191.664 -62.4566 -8.19685 GPRESSURE: 2294400 47.9504 -43.7605 -121.609 -40.3501 229.799 -50.8858 -104.916 12.9638 -27.1068 PRESSAVG: 2294400 -2.70481 -19.7835 32.7031 -19.7835 10.7112 11.2277 32.7032 11.2278 -18.7418 GPRESSAVG: 2294400 -2.97519 -16.1973 32.2748 -21.128 10.9766 11.9055 31.0668 12.4285 -19.3872 TIMING: 2294400 CPU: 7249.9, 0.00312162/step Wall: 7249.9, 0.00312162/step, 2.34607 hours remaining, 235.007812 MB of memory in use. ENERGY: 2294400 3979.9858 20493.0562 14519.1250 243.0375 -203192.4951 2835.1614 0.0000 0.0000 52009.0630 -109113.0662 298.8968 -161122.1292 -108761.6916 298.8700 56.0767 83.5475 762045.5671 -3.5785 -3.7953 PRESSURE: 2294600 -97.599 -136.631 122.699 -136.632 -180.15 -180.648 122.699 -180.648 -222.993 GPRESSURE: 2294600 -81.8677 -143.062 36.999 -21.5809 -193.575 -186.836 190.049 -187.226 -158.367 PRESSAVG: 2294600 -13.4068 -14.253 8.18507 -14.253 -2.25205 -2.90646 8.185 -2.90647 10.2871 GPRESSAVG: 2294600 -11.8092 -15.9052 6.24018 -14.6526 -3.91194 -2.54465 10.2023 -4.10057 10.1229 TIMING: 2294600 CPU: 7250.53, 0.00313028/step Wall: 7250.53, 0.00313028/step, 2.3524 hours remaining, 235.007812 MB of memory in use. ENERGY: 2294600 3969.9878 20646.3859 14450.7634 246.7373 -202996.7382 2571.6337 0.0000 0.0000 51918.0476 -109193.1823 298.3737 -161111.2300 -108839.1513 298.8065 -166.9142 -144.6033 761898.9635 -1.7906 -1.8661 PRESSURE: 2294800 -13.2111 -282.686 37.2799 -282.686 263.553 -187.693 37.2799 -187.693 199.796 GPRESSURE: 2294800 -36.547 -182.555 45.6736 -279.967 374.464 -202.452 17.8989 -104.969 200.064 PRESSAVG: 2294800 26.323 15.7836 12.8278 15.7835 -40.7376 -38.3602 12.8279 -38.3602 -8.20904 GPRESSAVG: 2294800 25.5924 17.3016 13.3364 16.4784 -40.0136 -39.7774 12.9539 -38.5032 -7.97724 TIMING: 2294800 CPU: 7251.15, 0.00313161/step Wall: 7251.15, 0.00313161/step, 2.35323 hours remaining, 235.007812 MB of memory in use. ENERGY: 2294800 3915.2519 20541.5875 14452.9391 240.5593 -203678.2407 2824.6847 0.0000 0.0000 52146.8395 -109556.3786 299.6886 -161703.2181 -109187.0482 299.1022 150.0460 179.3271 761968.0538 -7.5412 -7.4661 PRESSURE: 2295000 -411.771 89.7785 262.299 89.7793 -102.143 78.3546 262.298 78.3551 96.1187 GPRESSURE: 2295000 -304.278 126.688 310.263 -59.5541 -122.383 21.4642 201.946 98.7141 86.1915 PRESSAVG: 2295000 23.2169 -76.554 26.3689 -76.5541 3.69098 26.247 26.3689 26.2471 7.37737 GPRESSAVG: 2295000 23.7705 -77.9372 27.474 -77.1818 3.94762 25.8253 25.855 26.8862 6.82261 TIMING: 2295000 CPU: 7251.78, 0.00313645/step Wall: 7251.78, 0.00313645/step, 2.3567 hours remaining, 234.996094 MB of memory in use. ENERGY: 2295000 3966.8354 20562.7427 14470.6897 227.1041 -203451.5072 2586.5098 0.0000 0.0000 51895.9028 -109741.7227 298.2465 -161637.6255 -109378.4079 298.3325 -139.2650 -113.4897 763237.9350 11.4284 11.5136 PRESSURE: 2295200 29.3427 134.563 80.1174 134.563 -9.06026 42.2524 80.1171 42.2517 -323.629 GPRESSURE: 2295200 72.6478 80.994 147.093 46.1582 13.9531 77.0324 27.2099 3.39415 -335.583 PRESSAVG: 2295200 16.9494 -4.35327 45.7229 -4.35325 -58.9867 -27.3863 45.7228 -27.3864 -20.3543 GPRESSAVG: 2295200 17.1314 -5.50635 46.6872 -5.9179 -59.0492 -25.6242 44.0306 -27.1709 -20.1683 TIMING: 2295200 CPU: 7252.41, 0.00314447/step Wall: 7252.41, 0.00314447/step, 2.36255 hours remaining, 235.007812 MB of memory in use. ENERGY: 2295200 4042.5281 20579.6077 14458.9420 250.8307 -203450.9911 2737.1225 0.0000 0.0000 51734.7033 -109647.2569 297.3201 -161381.9602 -109299.2401 298.1662 -101.1155 -82.9942 762606.3001 -20.7972 -20.6954 PRESSURE: 2295400 -2.00742 143.69 -94.0283 143.69 -27.7128 -316.938 -94.0285 -316.939 -174.211 GPRESSURE: 2295400 -4.1884 98.7663 -123.993 160.917 -40.429 -306.352 -68.7715 -293.894 -80.7095 PRESSAVG: 2295400 45.1341 -34.9925 42.396 -34.9925 -44.7784 -24.3733 42.396 -24.3733 9.66128 GPRESSAVG: 2295400 44.165 -35.0738 40.9668 -35.1973 -43.1915 -25.4344 43.6129 -24.049 8.8383 TIMING: 2295400 CPU: 7253.03, 0.00312164/step Wall: 7253.03, 0.00312164/step, 2.34522 hours remaining, 234.996094 MB of memory in use. ENERGY: 2295400 4106.0307 20586.5370 14368.7579 254.3546 -203376.6222 2789.5431 0.0000 0.0000 51779.4169 -109491.9820 297.5770 -161271.3989 -109132.5487 298.2946 -67.9770 -41.7756 763632.9980 3.3390 3.2706 PRESSURE: 2295600 -477.353 17.594 7.89074 17.5942 -291.557 34.6311 7.8911 34.6318 -114.002 GPRESSURE: 2295600 -372.453 31.8265 -74.0276 61.5052 -250.06 55.1435 7.59737 141.13 -163.941 PRESSAVG: 2295600 -32.1721 34.0196 -6.96708 34.0196 -20.3459 4.29386 -6.96713 4.29392 1.19491 GPRESSAVG: 2295600 -31.2296 33.7441 -7.61853 35.132 -21.5952 4.7429 -7.38299 3.55333 1.98287 TIMING: 2295600 CPU: 7253.66, 0.00314538/step Wall: 7253.66, 0.00314538/step, 2.36288 hours remaining, 234.996094 MB of memory in use. ENERGY: 2295600 3953.2153 20586.9526 14441.6877 243.8750 -203216.4925 2351.1873 0.0000 0.0000 52127.2934 -109512.2813 299.5763 -161639.5747 -109156.0344 298.7319 -294.3040 -262.1515 763605.0398 -17.1077 -16.9473 PRESSURE: 2295800 228.091 -64.2362 -123.108 -64.2369 493.866 -97.8092 -123.109 -97.8093 64.0496 GPRESSURE: 2295800 267.225 23.4712 -77.5077 -103.985 512.441 -178.247 -0.607657 -46.8326 94.6054 PRESSAVG: 2295800 44.9679 -23.3055 18.5181 -23.3056 -10.6316 -30.1063 18.5181 -30.1062 -7.1561 GPRESSAVG: 2295800 43.9616 -20.0926 20.8821 -23.5511 -10.9469 -28.7632 19.0219 -31.6542 -6.50854 TIMING: 2295800 CPU: 7254.29, 0.00315042/step Wall: 7254.29, 0.00315042/step, 2.36649 hours remaining, 234.996094 MB of memory in use. ENERGY: 2295800 3913.0552 20504.6205 14446.0247 239.4547 -203311.2920 2884.5220 0.0000 0.0000 51959.4774 -109364.1375 298.6118 -161323.6149 -109004.3544 299.0102 262.0022 291.4236 762808.3832 9.0601 8.8354 PRESSURE: 2296000 331.999 16.486 78.9742 16.4862 9.81069 -10.2536 78.9739 -10.2546 -83.799 GPRESSURE: 2296000 246.664 -3.72785 51.0721 57.8221 148.758 -56.8404 6.22395 19.0359 -56.8366 PRESSAVG: 2296000 29.0353 23.5998 14.7588 23.5998 -40.7798 -41.1217 14.7589 -41.1216 -2.40762 GPRESSAVG: 2296000 29.028 21.544 12.0921 24.0069 -39.1162 -42.6401 12.8237 -39.0389 -3.14008 TIMING: 2296000 CPU: 7254.92, 0.00312738/step Wall: 7254.92, 0.00312738/step, 2.34901 hours remaining, 234.996094 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: 2296000 3976.2247 20550.0097 14466.1384 235.5234 -203288.4573 2686.4479 0.0000 0.0000 52023.1932 -109350.9199 298.9780 -161374.1132 -108987.3498 298.8888 86.0035 112.8620 764480.0976 -4.7174 -4.4094 PRESSURE: 2296200 196.828 -125.306 -92.8383 -125.306 15.6182 -239.783 -92.8386 -239.784 307.34 GPRESSURE: 2296200 300.465 49.2873 -49.682 -172.903 -20.2237 -243.755 -54.406 -180.002 318.748 PRESSAVG: 2296200 91.0718 43.5479 -10.5628 43.5479 -35.0443 -4.24283 -10.5629 -4.24282 -16.39 GPRESSAVG: 2296200 92.6444 45.9838 -10.3983 41.9389 -36.6733 -4.58104 -7.62234 -4.88159 -16.2057 TIMING: 2296200 CPU: 7255.55, 0.00314263/step Wall: 7255.55, 0.00314263/step, 2.36029 hours remaining, 234.996094 MB of memory in use. ENERGY: 2296200 4054.5815 20635.2414 14442.1484 247.3459 -203801.4789 3112.2396 0.0000 0.0000 51934.0058 -109375.9164 298.4654 -161309.9222 -109009.8991 298.6366 173.2620 199.6631 763452.8442 13.2125 13.2552 LDB: ============= START OF LOAD BALANCING ============== 7268.08 LDB: ============== END OF LOAD BALANCING =============== 7268.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7268.08 LDB: ============= START OF LOAD BALANCING ============== 7268.39 LDB: Largest compute 7068 load 0.030389 is 15.5% of average load 0.195577 LDB: Average compute 0.004379 is 2.2% of average load 0.195577 LDB: TIME 7268.39 LOAD: AVG 0.195577 MAX 0.214547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.926 MB LDB: TIME 7268.39 LOAD: AVG 0.195577 MAX 0.214547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 7268.39 LOAD: AVG 0.195577 MAX 0.214547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 7268.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7268.4 PRESSURE: 2296400 -77.7567 53.9221 -133.282 53.9218 -241.819 -40.0873 -133.281 -40.0869 -84.9259 GPRESSURE: 2296400 -37.6351 5.72316 -79.9184 59.0799 -194.283 -60.6132 -168.918 64.916 -126.756 PRESSAVG: 2296400 -0.280451 8.82316 -40.584 8.82318 -26.3687 -40.4833 -40.5841 -40.4833 8.70606 GPRESSAVG: 2296400 -0.886584 6.28219 -40.5251 8.84562 -26.0079 -39.6069 -42.4737 -39.9447 8.74814 TIMING: 2296400 CPU: 7256.18, 0.00318777/step Wall: 7256.18, 0.00318777/step, 2.39401 hours remaining, 235.382812 MB of memory in use. ENERGY: 2296400 4077.5308 20629.6812 14400.7850 258.4918 -203430.0645 2766.8595 0.0000 0.0000 51926.1960 -109370.5203 298.4206 -161296.7163 -109003.6574 298.6058 -134.8337 -119.5581 763775.3495 -5.9810 -6.0488 PRESSURE: 2296600 194.046 26.9916 -17.2881 26.9908 -97.0336 89.8247 -17.2881 89.8255 68.5281 GPRESSURE: 2296600 246.504 -4.02214 -97.2896 8.7428 -115.978 19.6316 -239.217 85.5728 100.198 PRESSAVG: 2296600 50.5587 17.7197 -27.5451 17.7196 -9.00538 -15.4432 -27.545 -15.4432 -4.73695 GPRESSAVG: 2296600 50.4591 18.6554 -26.949 19.7533 -9.70215 -15.183 -27.4414 -15.7329 -4.13565 TIMING: 2296600 CPU: 7256.81, 0.00314041/step Wall: 7256.81, 0.00314041/step, 2.35827 hours remaining, 235.789062 MB of memory in use. ENERGY: 2296600 3996.9998 20654.4564 14469.8297 235.2089 -203683.7466 3011.2703 0.0000 0.0000 51922.9706 -109393.0110 298.4020 -161315.9816 -109026.1757 298.5512 55.1802 76.9081 761229.8283 12.2721 12.2071 PRESSURE: 2296800 -137.14 123.687 77.8308 123.687 -302.315 131.279 77.8316 131.28 99.6671 GPRESSURE: 2296800 -156.156 62.4416 98.7194 69.9897 -168.736 165.776 -46.3824 211.879 72.5915 PRESSAVG: 2296800 16.8822 46.8695 -2.47743 46.8695 -14.564 65.8184 -2.47744 65.8184 30.1019 GPRESSAVG: 2296800 16.274 46.5566 -3.43513 44.2273 -12.7002 65.8261 -1.45389 64.1618 29.0108 TIMING: 2296800 CPU: 7257.44, 0.00315265/step Wall: 7257.44, 0.00315265/step, 2.36729 hours remaining, 235.789062 MB of memory in use. ENERGY: 2296800 3988.5264 20511.4407 14403.6096 227.6511 -203365.6578 2832.1097 0.0000 0.0000 52022.7366 -109379.5837 298.9754 -161402.3203 -109009.7714 298.6282 -113.2629 -84.1002 761273.7438 10.8067 10.8615 PRESSURE: 2297000 -79.6729 78.9524 127.442 78.9523 -508.53 -64.4673 127.442 -64.4669 -224.368 GPRESSURE: 2297000 -23.6031 61.5207 110.053 111.575 -464.105 -131.936 58.2044 -58.2186 -234.44 PRESSAVG: 2297000 30.1654 -20.8636 40.7468 -20.8636 -33.9217 -36.2065 40.7469 -36.2065 3.74016 GPRESSAVG: 2297000 30.1052 -22.2878 41.531 -18.2965 -34.064 -35.7315 39.4249 -35.613 4.35145 TIMING: 2297000 CPU: 7258.07, 0.00313672/step Wall: 7258.07, 0.00313672/step, 2.35515 hours remaining, 235.800781 MB of memory in use. ENERGY: 2297000 3955.1482 20498.3679 14481.5530 250.7795 -203064.6559 2391.9018 0.0000 0.0000 52024.7549 -109462.1506 298.9870 -161486.9056 -109091.8787 298.6877 -270.8572 -240.7158 762004.5131 -0.0054 0.1309 PRESSURE: 2297200 129.389 -111.029 -305.046 -111.029 -41.7953 17.65 -305.046 17.6492 102.957 GPRESSURE: 2297200 116.689 -168.503 -305.06 -102.641 34.0014 -92.1969 -257.6 115.341 116.834 PRESSAVG: 2297200 12.3778 8.73243 21.8129 8.73243 -34.4931 -14.0596 21.8128 -14.0595 21.8096 GPRESSAVG: 2297200 12.7544 9.24152 22.1119 7.08866 -33.2467 -15.8715 20.7832 -11.9523 20.0082 TIMING: 2297200 CPU: 7258.7, 0.00315258/step Wall: 7258.7, 0.00315258/step, 2.36688 hours remaining, 235.800781 MB of memory in use. ENERGY: 2297200 3931.3178 20529.4841 14481.9267 236.4377 -203286.9488 2754.7128 0.0000 0.0000 51937.2737 -109415.7959 298.4842 -161353.0696 -109072.1913 298.4761 63.5169 89.1747 761113.0378 -0.1019 -0.1614 PRESSURE: 2297400 -331.358 -59.2888 20.4885 -59.288 -25.1279 -150.559 20.4893 -150.56 60.2227 GPRESSURE: 2297400 -360.121 2.76311 138.788 15.7254 73.815 -116.013 -69.2729 -142.614 87.9068 PRESSAVG: 2297400 -17.9986 -9.83569 -28.699 -9.83568 26.5776 -57.9368 -28.6989 -57.9369 10.3667 GPRESSAVG: 2297400 -19.6216 -9.7446 -27.5613 -8.31971 26.9373 -55.9322 -28.5723 -59.8356 11.5224 TIMING: 2297400 CPU: 7259.33, 0.00313195/step Wall: 7259.33, 0.00313195/step, 2.35122 hours remaining, 235.789062 MB of memory in use. ENERGY: 2297400 3990.5804 20318.0326 14456.5814 237.1409 -203125.6817 2585.6598 0.0000 0.0000 52142.8047 -109394.8820 299.6654 -161537.6867 -109031.0340 298.6455 -98.7543 -66.1330 761382.7321 6.3152 6.2794 PRESSURE: 2297600 -454.478 101.122 66.8437 101.122 -123.296 -34.1416 66.8431 -34.1426 -466.725 GPRESSURE: 2297600 -362.59 32.9126 139.608 192.362 -159.295 17.4976 3.09727 -2.51715 -441.149 PRESSAVG: 2297600 36.2359 -53.0369 -2.54418 -53.0369 -31.097 4.62301 -2.54423 4.62297 -17.5958 GPRESSAVG: 2297600 36.8523 -51.9646 -3.48578 -54.1531 -32.9535 3.10631 -0.586531 5.71237 -16.4651 TIMING: 2297600 CPU: 7259.95, 0.00312258/step Wall: 7259.95, 0.00312258/step, 2.34402 hours remaining, 235.800781 MB of memory in use. ENERGY: 2297600 4048.8765 20581.3353 14550.2426 235.7898 -202851.3271 2451.7230 0.0000 0.0000 51821.7236 -109161.6364 297.8202 -160983.3600 -108808.9465 299.1435 -348.1663 -321.0115 762549.9063 -4.1523 -4.1888 PRESSURE: 2297800 -277.629 83.7492 75.6575 83.7496 -78.7863 -106.413 75.6571 -106.413 -229.79 GPRESSURE: 2297800 -152.06 159.416 154.554 80.8231 -135.864 -60.526 107.089 -108.348 -230.89 PRESSAVG: 2297800 -36.1403 -14.8419 -3.69519 -14.8419 47.6041 5.14794 -3.69525 5.14795 -1.72007 GPRESSAVG: 2297800 -34.5432 -16.4297 -3.92216 -15.9399 47.1048 4.95776 -3.38074 5.60288 -3.36175 TIMING: 2297800 CPU: 7260.58, 0.00313156/step Wall: 7260.58, 0.00313156/step, 2.35058 hours remaining, 235.800781 MB of memory in use. ENERGY: 2297800 4047.4204 20646.7966 14456.3425 246.4049 -203249.5026 2786.7637 0.0000 0.0000 52028.8067 -109036.9678 299.0103 -161065.7745 -108682.8849 299.3441 -195.4017 -172.9377 763648.9967 3.2479 3.0666 PRESSURE: 2298000 271.007 267.195 203.189 267.195 254.493 -70.2429 203.189 -70.2426 36.5993 GPRESSURE: 2298000 258.813 139.798 174.395 194.622 308.506 -31.0173 32.2871 -148.066 64.0843 PRESSAVG: 2298000 -37.1133 -3.24757 4.83139 -3.24756 -4.11161 -10.4874 4.83142 -10.4875 -16.0499 GPRESSAVG: 2298000 -37.0949 -3.14319 4.17818 -3.2355 -4.84536 -8.9598 3.47997 -10.8441 -15.3436 TIMING: 2298000 CPU: 7261.2, 0.00313844/step Wall: 7261.2, 0.00313844/step, 2.35558 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: 2298000 3943.9203 20636.3006 14416.8643 259.8468 -203637.6938 2935.1688 0.0000 0.0000 52166.8965 -109278.6965 299.8039 -161445.5930 -108914.4607 299.7968 187.3663 210.4678 761295.5027 -19.0916 -19.0946 PRESSURE: 2298200 -271.859 -179.305 30.4764 -179.304 -74.0935 51.8311 30.477 51.8308 -406.138 GPRESSURE: 2298200 -186.9 -47.4796 -33.0967 -201.413 10.5691 11.5961 -110.681 84.1616 -491.667 PRESSAVG: 2298200 -7.61324 8.33973 14.9876 8.33972 -33.1394 -36.8806 14.9876 -36.8806 10.8554 GPRESSAVG: 2298200 -8.68888 8.73786 14.1165 8.97698 -31.209 -38.9772 16.5933 -35.7454 9.63386 TIMING: 2298200 CPU: 7261.83, 0.00313641/step Wall: 7261.83, 0.00313641/step, 2.35388 hours remaining, 235.800781 MB of memory in use. ENERGY: 2298200 4121.3322 20672.8566 14476.2262 255.7769 -203811.7562 3111.3034 0.0000 0.0000 51874.5265 -109299.7345 298.1236 -161174.2610 -108939.4609 299.2099 -250.6970 -222.6660 761095.6795 -9.9657 -10.0880 PRESSURE: 2298400 -99.9762 135.905 166.122 135.906 -140.713 -30.3611 166.122 -30.361 -215.19 GPRESSURE: 2298400 -54.8707 70.1523 68.3428 78.9431 -52.9209 -124.636 188.665 -18.4702 -259.204 PRESSAVG: 2298400 -10.7476 -16.5199 2.94745 -16.5199 12.7275 -50.5122 2.94744 -50.5123 -7.68598 GPRESSAVG: 2298400 -11.4516 -14.6869 2.59356 -15.9937 12.7308 -51.7069 2.76792 -51.3567 -6.37089 TIMING: 2298400 CPU: 7262.46, 0.00314519/step Wall: 7262.46, 0.00314519/step, 2.36029 hours remaining, 235.800781 MB of memory in use. ENERGY: 2298400 3954.8557 20590.6727 14466.0221 258.2117 -203281.0250 2694.7012 0.0000 0.0000 52080.5010 -109236.0607 299.3074 -161316.5616 -108875.8132 299.2539 -151.9597 -122.3320 762531.4405 -1.9020 -1.6972 PRESSURE: 2298600 -141.513 -97.4729 131.266 -97.474 -71.3619 -18 131.266 -17.9991 -180.754 GPRESSURE: 2298600 -150.083 -48.2033 144.843 -20.0567 7.5213 13.4 143.496 6.95808 -178.525 PRESSAVG: 2298600 15.6239 20.1759 -9.10966 20.1759 23.7152 28.0783 -9.10966 28.0785 7.93405 GPRESSAVG: 2298600 17.1198 17.3967 -8.30101 20.0221 22.4779 31.082 -10.0599 27.6218 6.74138 TIMING: 2298600 CPU: 7263.09, 0.00315834/step Wall: 7263.09, 0.00315834/step, 2.36998 hours remaining, 235.800781 MB of memory in use. ENERGY: 2298600 3970.4275 20483.7268 14462.3042 239.0594 -203418.7419 2924.8897 0.0000 0.0000 52235.1561 -109103.1782 300.1962 -161338.3343 -108733.2021 299.5659 -131.2098 -107.0290 760683.5573 15.7577 15.4464 PRESSURE: 2298800 82.4409 -76.8627 70.236 -76.8634 38.5355 -75.4002 70.2357 -75.4008 73.8283 GPRESSURE: 2298800 63.8317 -33.6572 13.7026 -87.5531 105.985 -69.565 32.4383 50.832 77.4161 PRESSAVG: 2298800 0.167834 -34.0852 4.77778 -34.0853 -23.073 32.9572 4.7778 32.9572 -15.2234 GPRESSAVG: 2298800 -0.809059 -33.1916 4.93717 -34.0792 -23.0536 30.3894 4.35352 35.742 -14.3054 TIMING: 2298800 CPU: 7263.72, 0.00313398/step Wall: 7263.72, 0.00313398/step, 2.35153 hours remaining, 235.800781 MB of memory in use. ENERGY: 2298800 3987.1939 20629.1701 14486.6763 255.7018 -202859.6041 2537.7147 0.0000 0.0000 51680.3215 -109282.8258 297.0075 -160963.1473 -108929.8496 299.3398 64.9349 82.4110 761935.2584 -12.7095 -12.7227 PRESSURE: 2299000 -451.722 -185.779 41.9974 -185.779 -127.037 -50.9089 41.9976 -50.9093 -389.343 GPRESSURE: 2299000 -342.544 -198.26 126.977 -306.192 -131.984 -137.776 -4.54005 18.2145 -387.461 PRESSAVG: 2299000 9.37914 -54.4358 -36.2206 -54.4358 -27.219 0.663392 -36.2206 0.66346 50.1036 GPRESSAVG: 2299000 10.0961 -54.5581 -35.4504 -54.3856 -26.3305 0.751975 -34.8742 -0.418789 48.7422 TIMING: 2299000 CPU: 7264.35, 0.00313222/step Wall: 7264.35, 0.00313222/step, 2.35004 hours remaining, 235.800781 MB of memory in use. ENERGY: 2299000 4067.2108 20330.3761 14591.1883 275.5807 -203429.1716 2820.2563 0.0000 0.0000 52167.3632 -109177.1962 299.8066 -161344.5594 -108812.7707 299.3046 -322.7008 -287.3297 761886.1361 10.7546 10.8360 PRESSURE: 2299200 175.202 -194.27 -27.1192 -194.27 -120.802 0.371099 -27.1184 0.370941 319.829 GPRESSURE: 2299200 195.048 -163.388 2.12062 -175.555 -94.2421 45.5304 -36.5598 61.49 357.581 PRESSAVG: 2299200 21.4348 -74.8145 6.07963 -74.8145 -22.5441 31.4629 6.07957 31.4628 11.0846 GPRESSAVG: 2299200 19.5284 -74.3649 6.02459 -74.6578 -21.7312 33.3388 4.45684 30.9413 11.9127 TIMING: 2299200 CPU: 7264.97, 0.00312687/step Wall: 7264.97, 0.00312687/step, 2.34585 hours remaining, 235.800781 MB of memory in use. ENERGY: 2299200 3931.5636 20622.1176 14445.6021 240.4695 -203108.2121 2697.9255 0.0000 0.0000 52243.0460 -108927.4880 300.2415 -161170.5339 -108552.2308 300.0673 124.7429 152.7957 763702.0727 3.3251 3.2366 PRESSURE: 2299400 -250.859 -58.9883 -30.4849 -58.9882 35.8178 61.988 -30.4852 61.9885 -101.952 GPRESSURE: 2299400 -179.716 -37.4391 -49.9173 -14.4199 65.6812 204.072 -82.8471 -94.2138 -121.669 PRESSAVG: 2299400 -18.5944 -37.8836 10.6689 -37.8836 15.57 -30.6558 10.6689 -30.6558 -4.62312 GPRESSAVG: 2299400 -17.4049 -36.329 11.2669 -37.6533 12.6681 -32.3287 10.2897 -30.4719 -2.76803 TIMING: 2299400 CPU: 7265.6, 0.00312831/step Wall: 7265.6, 0.00312831/step, 2.34676 hours remaining, 235.800781 MB of memory in use. ENERGY: 2299400 4032.0775 20672.7991 14389.0574 252.1182 -203681.3236 3028.0780 0.0000 0.0000 52285.3047 -109021.8888 300.4844 -161307.1935 -108660.9939 299.6998 -105.6643 -78.5680 762947.2637 -2.5492 -2.5016 PRESSURE: 2299600 45.1685 90.8023 -113.708 90.8022 -8.40693 140.924 -113.707 140.923 -73.1104 GPRESSURE: 2299600 88.0883 109.126 -128.448 31.5464 -10.4452 44.2196 -60.9085 45.1902 -42.4853 PRESSAVG: 2299600 3.56144 -20.2258 1.9257 -20.2258 -31.0576 -43.247 1.92579 -43.247 25.2708 GPRESSAVG: 2299600 3.8204 -21.6267 1.10568 -20.4755 -29.7076 -40.766 3.54532 -46.7554 23.4778 TIMING: 2299600 CPU: 7266.23, 0.0031393/step Wall: 7266.23, 0.0031393/step, 2.35483 hours remaining, 235.800781 MB of memory in use. ENERGY: 2299600 4003.6686 20630.3017 14442.5683 259.1524 -203243.2456 2645.5791 0.0000 0.0000 52073.8034 -109188.1721 299.2689 -161261.9756 -108819.6065 299.2980 -12.1163 11.7193 761701.6925 -0.7418 -0.8031 PRESSURE: 2299800 539.67 194.31 47.8825 194.31 -103.856 -55.0409 47.8823 -55.0403 115.547 GPRESSURE: 2299800 456.094 166.657 49.9168 172.802 41.6331 -116.007 63.9442 -2.3036 128.421 PRESSAVG: 2299800 47.913 3.01077 51.3835 3.01077 -69.0566 -36.0307 51.3835 -36.0307 -8.30252 GPRESSAVG: 2299800 48.0261 2.85389 51.3048 2.89449 -69.1855 -39.0949 51.3077 -32.8694 -8.43084 TIMING: 2299800 CPU: 7266.85, 0.00313378/step Wall: 7266.85, 0.00313378/step, 2.35051 hours remaining, 235.800781 MB of memory in use. ENERGY: 2299800 4073.2630 20713.8284 14489.0707 263.4358 -203504.5252 3067.3751 0.0000 0.0000 52035.3718 -108862.1804 299.0480 -160897.5522 -108505.5360 299.4994 183.7871 208.7160 763067.5416 -9.8154 -9.8634 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2300000 WRITING COORDINATES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2300000 -444.385 243.948 219.023 243.948 -199.406 -36.9914 219.023 -36.9901 -638.525 GPRESSURE: 2300000 -420.857 156.503 271.384 159.563 -146.705 30.9322 266.946 -46.3796 -629.924 PRESSAVG: 2300000 -36.1736 20.2999 -24.0106 20.2999 16.0201 -42.4563 -24.0107 -42.4564 1.98607 GPRESSAVG: 2300000 -37.6088 21.5438 -24.9204 17.8405 15.8966 -41.6051 -24.9105 -41.9547 3.07525 TIMING: 2300000 CPU: 7267.49, 0.00321465/step Wall: 7267.49, 0.00321465/step, 2.41099 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: 2300000 4004.1015 20600.6492 14541.9752 265.4364 -202927.0401 2472.2947 0.0000 0.0000 52071.2800 -108971.3030 299.2544 -161042.5831 -108612.6542 300.1494 -427.4385 -399.1617 762928.5848 -6.0558 -6.2123 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING VELOCITIES TO RESTART FILE AT STEP 2300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2300200 -135.735 -134.66 65.8717 -134.66 -48.5797 -192.378 65.8714 -192.377 286.92 GPRESSURE: 2300200 -34.7004 -78.2436 14.7707 -129.026 -7.25974 -183.98 1.51465 -134.147 234.796 PRESSAVG: 2300200 1.97535 -55.935 1.78705 -55.935 -7.94056 -26.6647 1.78707 -26.6646 -30.0259 GPRESSAVG: 2300200 3.30287 -58.2351 2.78858 -53.1831 -8.03467 -26.0522 0.222812 -26.8771 -30.6503 TIMING: 2300200 CPU: 7268.15, 0.00329034/step Wall: 7268.15, 0.00329034/step, 2.46757 hours remaining, 235.800781 MB of memory in use. ENERGY: 2300200 3993.8598 20472.1262 14560.8167 252.3185 -203207.6369 2678.3659 0.0000 0.0000 52224.2113 -109025.9386 300.1333 -161250.1499 -108661.9287 300.0933 34.2020 64.2785 764038.9786 -11.9970 -11.7940 LDB: ============= START OF LOAD BALANCING ============== 7280.69 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7280.69 LDB: =============== DONE WITH MIGRATION ================ 7280.69 LDB: ============= START OF LOAD BALANCING ============== 7281 LDB: Largest compute 7068 load 0.030934 is 15.8% of average load 0.195528 LDB: Average compute 0.004387 is 2.2% of average load 0.195528 LDB: TIME 7281.01 LOAD: AVG 0.195528 MAX 0.214527 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 7281.01 LOAD: AVG 0.195528 MAX 0.214527 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 7281.01 LOAD: AVG 0.195528 MAX 0.214527 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 7281.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7281.01 PRESSURE: 2300400 -381.345 -211.256 54.5203 -211.255 -207.097 157.168 54.5212 157.168 -59.7838 GPRESSURE: 2300400 -258.78 -130.03 75.9968 -198.883 -215.078 93.5461 42.2497 146.745 -76.3359 PRESSAVG: 2300400 -26.5599 -47.7483 -7.53017 -47.7483 29.2064 39.394 -7.53009 39.3939 21.0873 GPRESSAVG: 2300400 -26.2373 -47.2955 -9.34826 -46.7324 29.6758 40.2799 -6.40288 37.5664 20.552 TIMING: 2300400 CPU: 7268.8, 0.0032246/step Wall: 7268.8, 0.0032246/step, 2.41809 hours remaining, 236.222656 MB of memory in use. ENERGY: 2300400 4031.8401 20720.1928 14468.3255 251.9636 -202862.1799 2446.9008 0.0000 0.0000 51853.3289 -109089.6282 298.0018 -160942.9571 -108733.1539 299.6757 -216.0753 -183.3982 763510.0835 7.9113 7.9968 PRESSURE: 2300600 -237.72 -153.127 -222.964 -153.127 -115.956 -171.531 -222.964 -171.532 -36.0396 GPRESSURE: 2300600 -180.468 -121.276 -109.289 -182.172 -64.5022 -140.787 -193.893 -70.5882 -69.075 PRESSAVG: 2300600 53.9447 -44.3853 7.775 -44.3853 -49.6097 -58.7361 7.77496 -58.7362 -23.7459 GPRESSAVG: 2300600 53.3998 -43.3787 8.86362 -46.9275 -50.4781 -59.3429 9.58273 -57.9111 -22.4127 TIMING: 2300600 CPU: 7269.43, 0.00314344/step Wall: 7269.43, 0.00314344/step, 2.35705 hours remaining, 236.628906 MB of memory in use. ENERGY: 2300600 3953.0944 20555.1296 14394.3088 249.7346 -203410.2277 2909.7656 0.0000 0.0000 52275.0712 -109073.1234 300.4256 -161348.1946 -108715.1890 299.6188 -129.9051 -104.6817 765605.7243 -6.4703 -6.4970 PRESSURE: 2300800 -105.519 -14.4609 -18.162 -14.4615 -53.3413 -244.518 -18.1616 -244.517 -122.778 GPRESSURE: 2300800 -150.064 -32.4192 40.3087 -204.445 70.4195 -306.183 -85.0557 -278.506 -139.032 PRESSAVG: 2300800 73.1249 -32.4643 -18.8367 -32.4643 -89.6068 -38.6973 -18.8367 -38.6973 5.98668 GPRESSAVG: 2300800 74.4683 -33.4885 -20.0644 -30.7639 -90.0726 -39.3486 -20.1318 -36.5168 5.19104 TIMING: 2300800 CPU: 7270.05, 0.00312777/step Wall: 7270.05, 0.00312777/step, 2.34513 hours remaining, 236.628906 MB of memory in use. ENERGY: 2300800 4027.0712 20700.6585 14529.8928 236.0875 -203156.0898 2777.7392 0.0000 0.0000 51931.7901 -108952.8506 298.4527 -160884.6407 -108583.9530 299.5335 -93.8796 -72.8923 763093.8443 -3.4984 -3.4711 PRESSURE: 2301000 157.234 66.027 -39.8817 66.0274 -57.8192 -23.9477 -39.8819 -23.947 -57.6932 GPRESSURE: 2301000 136.889 -57.5263 -146.974 -7.72893 29.5226 21.257 13.6371 -104.318 -52.054 PRESSAVG: 2301000 53.7257 -47.7838 26.8863 -47.7838 -41.5073 -49.0534 26.8864 -49.0534 -2.25079 GPRESSAVG: 2301000 52.9367 -48.3134 27.4203 -49.7132 -39.8156 -49.8368 26.4699 -51.7564 -3.0003 TIMING: 2301000 CPU: 7270.68, 0.00314471/step Wall: 7270.68, 0.00314471/step, 2.35766 hours remaining, 236.628906 MB of memory in use. ENERGY: 2301000 3973.9410 20606.2721 14583.2461 242.4880 -203631.3808 3075.1215 0.0000 0.0000 52267.1033 -108883.2088 300.3798 -161150.3121 -108514.4408 299.6199 13.9072 38.1191 761958.6668 3.3225 3.3736 PRESSURE: 2301200 53.3794 45.4476 -150.887 45.4466 142.849 15.9302 -150.886 15.9311 84.1585 GPRESSURE: 2301200 133.607 -2.66288 -121.779 156.579 90.1107 93.1368 -24.6375 -78.6533 139.093 PRESSAVG: 2301200 72.2801 -0.210732 -3.20203 -0.210693 -67.5264 -45.5995 -3.20206 -45.5995 19.785 GPRESSAVG: 2301200 72.3146 1.28558 -3.09831 2.89458 -68.9743 -46.6033 -0.83717 -44.9357 21.4623 TIMING: 2301200 CPU: 7271.31, 0.00315997/step Wall: 7271.31, 0.00315997/step, 2.36893 hours remaining, 236.628906 MB of memory in use. ENERGY: 2301200 3955.4574 20692.8396 14387.1857 257.2541 -203460.1862 2855.3871 0.0000 0.0000 52309.7071 -109002.3553 300.6246 -161312.0625 -108642.9577 299.8918 93.4622 120.9370 761988.8926 8.1796 8.2675 PRESSURE: 2301400 86.7617 -46.7062 11.1418 -46.7062 43.2036 -166.417 11.1415 -166.417 99.4807 GPRESSURE: 2301400 136.77 -50.5671 -50.6653 -77.9137 106.803 -209.734 169.787 -128.064 75.2816 PRESSAVG: 2301400 -0.142344 -32.7341 -18.9719 -32.7342 41.3333 14.3209 -18.9719 14.3208 13.0523 GPRESSAVG: 2301400 0.26018 -33.5513 -20.1322 -33.3618 40.6607 16.8097 -18.8342 15.4609 13.5961 TIMING: 2301400 CPU: 7271.94, 0.00314434/step Wall: 7271.94, 0.00314434/step, 2.35703 hours remaining, 236.628906 MB of memory in use. ENERGY: 2301400 3962.5498 20510.8688 14518.8528 237.5210 -203578.9019 3054.8970 0.0000 0.0000 52340.8239 -108953.3887 300.8034 -161294.2126 -108591.8083 300.1971 76.4820 106.2849 762546.4287 18.0811 18.1723 PRESSURE: 2301600 -135.303 45.8368 12.6093 45.838 147.358 -110.85 12.6098 -110.85 476.414 GPRESSURE: 2301600 -99.5201 58.6312 27.8555 -54.0719 234.229 -125.539 36.1545 -84.5324 431.152 PRESSAVG: 2301600 14.3543 -20.9553 24.1077 -20.9553 -29.6297 -14.046 24.1077 -14.046 5.52327 GPRESSAVG: 2301600 14.799 -19.7182 24.1872 -23.8545 -28.6085 -14.0234 23.9739 -15.2324 3.92761 TIMING: 2301600 CPU: 7272.57, 0.00313754/step Wall: 7272.57, 0.00313754/step, 2.35176 hours remaining, 236.628906 MB of memory in use. ENERGY: 2301600 3978.7124 20571.0726 14428.3107 229.9338 -203473.1594 3064.6990 0.0000 0.0000 52246.9775 -108953.4535 300.2641 -161200.4309 -108597.6954 299.8007 162.8231 188.6205 763985.7333 -3.2507 -3.2940 PRESSURE: 2301800 283.433 4.08797 212.266 4.08769 -105.877 -120.414 212.266 -120.415 312.686 GPRESSURE: 2301800 260.637 81.5787 88.5676 -98.2201 43.9865 -86.6234 193.221 -138.901 278.192 PRESSAVG: 2301800 28.7439 -15.6732 21.5672 -15.6732 -13.9372 -6.46054 21.5672 -6.46061 -12.1093 GPRESSAVG: 2301800 27.7464 -16.7347 22.1692 -14.324 -13.7841 -6.53003 20.5681 -7.7194 -11.2709 TIMING: 2301800 CPU: 7273.2, 0.00314406/step Wall: 7273.2, 0.00314406/step, 2.35648 hours remaining, 236.628906 MB of memory in use. ENERGY: 2301800 3956.2302 20676.6700 14414.0209 248.9053 -203426.1059 2885.0547 0.0000 0.0000 52216.2732 -109028.9515 300.0876 -161245.2247 -108665.1968 299.6772 163.4138 194.2720 762495.8784 0.8991 0.8971 PRESSURE: 2302000 -2.51719 81.6453 13.9202 81.6455 330.341 195.303 13.9204 195.302 -124.464 GPRESSURE: 2302000 51.2043 63.8114 21.6346 86.0416 293.232 220.702 30.5027 31.0987 -61.5844 PRESSAVG: 2302000 25.0924 -17.1889 -29.9078 -17.189 -14.7532 23.3554 -29.9078 23.3554 -7.17505 GPRESSAVG: 2302000 24.19 -18.3003 -28.7471 -17.2425 -14.1723 23.7182 -30.4401 24.6624 -6.7203 TIMING: 2302000 CPU: 7273.82, 0.00312615/step Wall: 7273.82, 0.00312615/step, 2.34288 hours remaining, 236.628906 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: 2302000 3948.6910 20396.0765 14456.2731 259.8778 -203029.9345 2623.7147 0.0000 0.0000 52121.2200 -109224.0813 299.5414 -161345.3013 -108853.9134 299.5572 67.7868 94.2838 760678.8742 1.0547 1.0991 PRESSURE: 2302200 125.978 19.8843 53.1325 19.8834 113.549 34.9466 53.1324 34.947 -215.976 GPRESSURE: 2302200 115.471 -7.13943 -22.9914 30.1677 113.147 37.173 -16.2421 9.03361 -127.082 PRESSAVG: 2302200 14.756 20.0181 -14.6096 20.0181 -31.9815 99.3727 -14.6097 99.3727 -19.0549 GPRESSAVG: 2302200 16.0562 21.7876 -15.8733 19.1894 -32.7079 99.3048 -16.088 98.2338 -19.9702 TIMING: 2302200 CPU: 7274.45, 0.00313363/step Wall: 7274.45, 0.00313363/step, 2.34831 hours remaining, 236.628906 MB of memory in use. ENERGY: 2302200 4003.6609 20549.7161 14553.2629 223.2479 -203681.3332 2795.7271 0.0000 0.0000 52187.3897 -109368.3285 299.9216 -161555.7183 -108999.6711 299.5432 7.8503 33.8456 762118.4973 -12.0934 -12.2073 PRESSURE: 2302400 32.6053 198.057 -56.252 198.057 -113.322 -161.878 -56.2512 -161.878 -507.319 GPRESSURE: 2302400 69.2351 170.998 47.0443 243.251 -162.223 -174.877 -61.6556 -184.299 -427.234 PRESSAVG: 2302400 54.2064 58.4332 -21.371 58.4331 -31.0737 50.0399 -21.371 50.0399 19.7668 GPRESSAVG: 2302400 54.7806 57.7236 -20.1252 59.5029 -31.785 48.166 -20.9004 51.1978 19.5308 TIMING: 2302400 CPU: 7275.08, 0.00313593/step Wall: 7275.08, 0.00313593/step, 2.34986 hours remaining, 236.628906 MB of memory in use. ENERGY: 2302400 4029.7309 20529.7257 14404.1641 244.4001 -203626.1720 2643.2691 0.0000 0.0000 52279.2351 -109495.6470 300.4495 -161774.8820 -109129.2463 298.7478 -196.0122 -173.4072 762396.1612 14.2998 14.1755 PRESSURE: 2302600 44.0544 -174.775 -37.9572 -174.775 33.1924 -143.033 -37.9576 -143.033 118.463 GPRESSURE: 2302600 123.482 -183.039 41.9767 -117.435 -2.28502 -51.4382 -273.918 -191.678 162.022 PRESSAVG: 2302600 46.4839 -6.78149 13.1553 -6.7815 -47.1055 -34.0283 13.1553 -34.0283 0.430166 GPRESSAVG: 2302600 44.7888 -7.04272 11.2154 -6.90254 -46.6832 -33.1823 12.9984 -35.3958 2.0537 TIMING: 2302600 CPU: 7275.71, 0.003143/step Wall: 7275.71, 0.003143/step, 2.35498 hours remaining, 236.628906 MB of memory in use. ENERGY: 2302600 4086.4408 20638.8574 14455.2725 257.1917 -203789.1728 2980.0313 0.0000 0.0000 51710.0666 -109661.3125 297.1785 -161371.3791 -109306.8667 298.7865 65.2366 94.4064 760269.3321 -0.0638 0.0531 PRESSURE: 2302800 308.751 243.117 103.236 243.117 -55.5767 279.28 103.237 279.28 -113.507 GPRESSURE: 2302800 248.226 102.763 139.626 137.009 20.2606 290.506 158.513 277.331 -59.9323 PRESSAVG: 2302800 -21.0888 12.9911 22.8522 12.9911 20.0119 -5.19477 22.8523 -5.19476 13.0771 GPRESSAVG: 2302800 -19.3169 14.8648 24.4464 13.5141 19.5852 -5.32642 22.3823 -4.42683 11.6488 TIMING: 2302800 CPU: 7276.33, 0.0031393/step Wall: 7276.33, 0.0031393/step, 2.35203 hours remaining, 236.628906 MB of memory in use. ENERGY: 2302800 4016.5888 20566.6138 14437.4016 251.3932 -203810.9947 2995.8451 0.0000 0.0000 51948.6446 -109594.5076 298.5496 -161543.1522 -109237.9957 298.6410 46.5558 69.5180 761100.4483 4.0001 3.9724 PRESSURE: 2303000 135.953 -54.6901 33.8485 -54.6903 -385.349 -236.542 33.8487 -236.541 -149.435 GPRESSURE: 2303000 150.89 -48.4694 71.2752 -108.605 -341.302 -189.902 -62.1649 -229.358 -140.757 PRESSAVG: 2303000 24.2579 -16.4651 -15.1848 -16.4652 -29.4521 -29.8308 -15.1847 -29.8307 -3.83327 GPRESSAVG: 2303000 23.4404 -18.8995 -15.8303 -15.3165 -29.1705 -28.6447 -14.8987 -28.669 -3.3426 TIMING: 2303000 CPU: 7276.96, 0.0031267/step Wall: 7276.96, 0.0031267/step, 2.34242 hours remaining, 236.628906 MB of memory in use. ENERGY: 2303000 4022.2680 20669.8956 14418.8651 226.9654 -203439.4959 2680.6152 0.0000 0.0000 51995.5499 -109425.3366 298.8191 -161420.8864 -109061.7731 298.9189 -132.9436 -110.3895 764100.2229 -3.0092 -3.0243 PRESSURE: 2303200 44.5134 -108.005 -8.02646 -108.006 -249.044 147.781 -8.02577 147.781 -446.589 GPRESSURE: 2303200 139.831 -109.878 -66.5463 -54.8465 -272.611 160.347 147.181 191.035 -429.032 PRESSAVG: 2303200 55.1062 -3.89082 41.0983 -3.89085 -38.5064 80.1393 41.0983 80.1394 -3.69372 GPRESSAVG: 2303200 55.6699 -1.81387 41.858 -4.46177 -38.0148 80.5058 41.3992 80.8738 -4.68061 TIMING: 2303200 CPU: 7277.58, 0.0031196/step Wall: 7277.58, 0.0031196/step, 2.33692 hours remaining, 236.617188 MB of memory in use. ENERGY: 2303200 4070.8373 20581.1972 14351.6958 244.6356 -203867.2592 3182.5522 0.0000 0.0000 52112.4165 -109323.9246 299.4908 -161436.3411 -108953.1200 299.4723 -217.0400 -187.2705 762995.3927 4.3020 4.3248 PRESSURE: 2303400 214.037 -270.147 110.427 -270.147 18.7697 -0.964497 110.427 -0.963818 322.236 GPRESSURE: 2303400 244.972 -145.247 81.4166 -281.127 137.601 121.132 26.5495 -78.1044 255.911 PRESSAVG: 2303400 16.1447 -13.8393 6.80264 -13.8394 -7.13198 7.83563 6.80259 7.83561 14.1562 GPRESSAVG: 2303400 14.4711 -15.1255 7.80124 -14.6492 -7.1852 6.9141 8.48781 6.44927 15.7167 TIMING: 2303400 CPU: 7278.21, 0.00312679/step Wall: 7278.21, 0.00312679/step, 2.34214 hours remaining, 236.617188 MB of memory in use. ENERGY: 2303400 4062.1886 20546.0506 14411.4328 243.5803 -203973.5234 3117.7528 0.0000 0.0000 52122.4092 -109470.1091 299.5482 -161592.5183 -109105.3912 299.6629 185.0145 212.8280 761678.5924 7.7230 7.6675 PRESSURE: 2303600 144.602 -64.8627 -116.43 -64.8641 -128.546 -152.236 -116.429 -152.235 47.8217 GPRESSURE: 2303600 117.543 -22.6358 -96.3955 -72.5575 2.28127 -87.3879 -346.044 -198.494 13.298 PRESSAVG: 2303600 -44.9421 -27.3563 4.75922 -27.3563 -5.24419 -15.668 4.75916 -15.668 -10.2891 GPRESSAVG: 2303600 -43.6481 -26.658 1.77852 -29.4713 -6.59464 -13.5064 3.10234 -16.7586 -10.2815 TIMING: 2303600 CPU: 7278.83, 0.00312475/step Wall: 7278.83, 0.00312475/step, 2.34044 hours remaining, 236.617188 MB of memory in use. ENERGY: 2303600 4036.3847 20386.3864 14414.8653 240.6344 -203604.3274 2786.3930 0.0000 0.0000 52143.3020 -109596.3616 299.6683 -161739.6636 -109234.4401 298.6539 21.2923 44.3741 760246.9457 -20.1585 -20.1747 PRESSURE: 2303800 -62.6006 26.1333 176.72 26.1345 -365.917 85.6294 176.719 85.6296 -297.57 GPRESSURE: 2303800 -110.209 15.2822 255.746 -59.9913 -260.99 127.82 207.966 203.178 -266.575 PRESSAVG: 2303800 -45.7247 -42.2247 -6.1355 -42.2247 3.27689 13.9229 -6.13542 13.9229 8.2278 GPRESSAVG: 2303800 -48.7956 -42.5594 -4.35854 -39.8898 6.97543 11.9502 -6.39473 15.427 7.45685 TIMING: 2303800 CPU: 7279.46, 0.00313582/step Wall: 7279.46, 0.00313582/step, 2.34855 hours remaining, 236.617188 MB of memory in use. ENERGY: 2303800 3976.6229 20468.1910 14397.0762 237.6087 -202998.8910 2397.6774 0.0000 0.0000 51887.5102 -109634.2047 298.1982 -161521.7149 -109255.2498 297.9720 -242.0289 -212.5914 762914.4922 -11.4067 -11.4545 PRESSURE: 2304000 25.7965 -110.421 -158.65 -110.42 -197.27 68.2631 -158.649 68.2624 99.7202 GPRESSURE: 2304000 73.9741 -56.0687 -83.7551 -105.904 -177.41 -7.70783 -200.642 8.08385 104.553 PRESSAVG: 2304000 -5.70467 -49.6406 15.5642 -49.6405 19.1245 29.8848 15.5642 29.8848 15.0107 GPRESSAVG: 2304000 -3.13827 -51.3528 15.2995 -49.8403 16.8519 30.3532 18.5899 29.1231 14.4667 TIMING: 2304000 CPU: 7280.09, 0.00314271/step Wall: 7280.09, 0.00314271/step, 2.35354 hours remaining, 236.617188 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: 2304000 4023.4202 20402.6380 14377.8082 270.0515 -203569.8910 2875.8015 0.0000 0.0000 52014.9612 -109605.2103 298.9307 -161620.1715 -109248.1639 298.5941 -23.9178 0.3721 762293.2114 9.4768 9.3935 PRESSURE: 2304200 -76.1674 51.0596 202.515 51.0597 285.495 -274.307 202.514 -274.307 127.075 GPRESSURE: 2304200 -18.9867 128.244 190.87 -45.7298 230.429 -280.505 227.56 -181.088 168.94 PRESSAVG: 2304200 24.4537 -19.6722 15.9378 -19.6722 -25.2125 -47.9319 15.9378 -47.9319 11.5439 GPRESSAVG: 2304200 25.4557 -16.1734 13.8813 -19.4144 -26.9818 -48.4376 17.234 -47.7194 12.1628 TIMING: 2304200 CPU: 7280.72, 0.0031544/step Wall: 7280.72, 0.0031544/step, 2.36212 hours remaining, 236.628906 MB of memory in use. ENERGY: 2304200 4009.7092 20537.9516 14381.1687 226.3427 -203182.1602 2582.9628 0.0000 0.0000 51854.5335 -109589.4916 298.0087 -161444.0251 -109228.2930 297.9445 112.1342 126.7941 762758.4458 3.5950 3.5456 LDB: ============= START OF LOAD BALANCING ============== 7293.25 LDB: ============== END OF LOAD BALANCING =============== 7293.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7293.25 LDB: ============= START OF LOAD BALANCING ============== 7293.57 LDB: Largest compute 7068 load 0.031429 is 16.1% of average load 0.195579 LDB: Average compute 0.004385 is 2.2% of average load 0.195579 LDB: TIME 7293.57 LOAD: AVG 0.195579 MAX 0.21382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.234 MB LDB: TIME 7293.57 LOAD: AVG 0.195579 MAX 0.21382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.328 MB LDB: TIME 7293.57 LOAD: AVG 0.195579 MAX 0.21382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.328 MB LDB: ============== END OF LOAD BALANCING =============== 7293.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7293.58 PRESSURE: 2304400 -73.3263 165.192 -119.41 165.193 -91.6113 -181.121 -119.41 -181.121 111.451 GPRESSURE: 2304400 -110.082 254.036 -160.29 143.336 62.2383 -108.626 -38.7209 -255.042 72.2953 PRESSAVG: 2304400 -19.8985 28.8108 27.3807 28.8108 33.5829 23.0354 27.3807 23.0354 -19.1282 GPRESSAVG: 2304400 -21.1746 28.3388 29.0295 26.8111 35.0258 24.1747 24.9284 23.367 -18.8253 TIMING: 2304400 CPU: 7281.36, 0.00320277/step Wall: 7281.36, 0.00320277/step, 2.39816 hours remaining, 235.394531 MB of memory in use. ENERGY: 2304400 3966.5473 20429.5881 14392.5191 260.2308 -203407.0135 2541.3828 0.0000 0.0000 52034.3786 -109782.3668 299.0423 -161816.7454 -109416.6475 298.0660 -17.8288 8.1505 762196.5369 -1.8146 -1.6580 PRESSURE: 2304600 -141.888 -174.701 11.5414 -174.701 -258.666 -301.829 11.5409 -301.83 -112.964 GPRESSURE: 2304600 -194.796 -54.188 70.2564 -154.325 -146.621 -366.276 63.7687 -371.974 -83.7945 PRESSAVG: 2304600 28.4826 16.1209 -31.7964 16.1209 -10.6897 -27.8145 -31.7964 -27.8145 -11.468 GPRESSAVG: 2304600 28.806 16.8012 -31.9575 16.9594 -10.8796 -28.8345 -31.683 -28.3493 -11.1232 TIMING: 2304600 CPU: 7281.99, 0.00314644/step Wall: 7281.99, 0.00314644/step, 2.35581 hours remaining, 235.597656 MB of memory in use. ENERGY: 2304600 3950.3914 20554.3109 14431.1243 243.2533 -203604.3486 2584.3828 0.0000 0.0000 51990.1504 -109850.7355 298.7881 -161840.8859 -109486.1069 298.2156 -171.1724 -141.7372 762010.1267 2.1083 2.2678 PRESSURE: 2304800 -187.402 -72.9437 239.591 -72.943 -349.755 178.606 239.591 178.604 -143.151 GPRESSURE: 2304800 -177.885 -51.1133 183.309 -8.14725 -268.162 151.658 165.608 204.242 -134.682 PRESSAVG: 2304800 -9.05866 -34.2208 14.6445 -34.2208 -34.717 13.5266 14.6446 13.5266 10.0479 GPRESSAVG: 2304800 -8.83577 -36.141 14.0455 -32.938 -33.1665 13.2339 13.7108 13.7665 8.83748 TIMING: 2304800 CPU: 7282.62, 0.00313135/step Wall: 7282.62, 0.00313135/step, 2.34434 hours remaining, 235.597656 MB of memory in use. ENERGY: 2304800 3956.8281 20394.7322 14452.1786 246.1779 -203233.9734 2427.0514 0.0000 0.0000 51977.2274 -109779.7778 298.7138 -161757.0052 -109415.9777 297.7592 -226.7691 -193.5762 763803.2477 -11.2426 -11.0549 PRESSURE: 2305000 119.673 -13.4328 -133.734 -13.432 -164.595 42.3808 -133.734 42.382 -93.115 GPRESSURE: 2305000 141.654 -96.1607 -115.205 -56.7851 -45.0565 51.9126 -121.371 -55.7409 -140.042 PRESSAVG: 2305000 34.7439 -2.82086 19.8018 -2.82086 -5.07224 27.7418 19.8018 27.7418 8.8945 GPRESSAVG: 2305000 33.9376 -4.66548 19.861 -1.47989 -5.32147 27.1912 18.6757 28.9992 9.85867 TIMING: 2305000 CPU: 7283.24, 0.00313589/step Wall: 7283.24, 0.00313589/step, 2.34756 hours remaining, 235.800781 MB of memory in use. ENERGY: 2305000 3973.1415 20427.0826 14390.3475 241.3466 -203250.7245 2718.7230 0.0000 0.0000 52021.9173 -109478.1660 298.9707 -161500.0834 -109108.1438 298.3691 -46.0121 -14.4815 761609.0343 12.8554 12.8249 PRESSURE: 2305200 97.6518 -136.638 -44.2974 -136.638 233.435 -30.6001 -44.2973 -30.6013 -55.0495 GPRESSURE: 2305200 96.1178 -103.051 -137.659 -77.7348 222.541 28.766 38.9422 -20.038 24.6226 PRESSAVG: 2305200 -23.3757 -47.7734 48.2806 -47.7734 37.3913 40.8618 48.2806 40.8618 -30.9368 GPRESSAVG: 2305200 -21.7525 -44.4663 48.0603 -50.706 36.6515 44.7935 49.9616 37.0364 -32.1098 TIMING: 2305200 CPU: 7283.87, 0.00314443/step Wall: 7283.87, 0.00314443/step, 2.35378 hours remaining, 235.800781 MB of memory in use. ENERGY: 2305200 4008.1975 20445.5970 14401.5764 222.5114 -203788.4191 2999.6348 0.0000 0.0000 52130.8706 -109580.0313 299.5968 -161710.9019 -109224.1704 298.7302 92.0125 114.4273 762541.0706 -5.6404 -5.7370 PRESSURE: 2305400 20.7843 -58.0684 -74.1665 -58.0688 -61.1094 -52.9774 -74.166 -52.9759 171.829 GPRESSURE: 2305400 46.2396 -58.0242 -6.42261 6.21279 60.4855 -39.0822 -12.9044 65.0005 81.4444 PRESSAVG: 2305400 22.3484 -11.6726 -3.58965 -11.6726 23.2764 -0.710547 -3.58967 -0.71049 3.93784 GPRESSAVG: 2305400 21.3677 -12.8622 -3.1223 -10.0706 23.7915 -2.7749 -2.3002 0.126724 4.83281 TIMING: 2305400 CPU: 7284.5, 0.00314049/step Wall: 7284.5, 0.00314049/step, 2.35066 hours remaining, 235.800781 MB of memory in use. ENERGY: 2305400 3953.1905 20426.2961 14515.3216 235.1045 -203421.6081 2881.6199 0.0000 0.0000 51919.9070 -109490.1685 298.3844 -161410.0754 -109132.6622 298.1832 43.8347 62.7232 764782.1604 16.5209 16.6640 PRESSURE: 2305600 -135.668 205.673 -71.5435 205.674 -414.494 180.418 -71.5436 180.419 174.414 GPRESSURE: 2305600 -146.075 170.214 -104.346 208.876 -294.007 97.9617 -91.0968 204.491 152.264 PRESSAVG: 2305600 9.52349 -32.0288 14.0331 -32.0288 -7.2324 31.9812 14.0331 31.9812 1.2917 GPRESSAVG: 2305600 9.80126 -33.084 12.8261 -33.2218 -7.67214 33.007 14.381 34.2564 1.63117 TIMING: 2305600 CPU: 7285.13, 0.00313988/step Wall: 7285.13, 0.00313988/step, 2.35003 hours remaining, 235.800781 MB of memory in use. ENERGY: 2305600 3983.6186 20482.1290 14451.6135 268.1898 -203142.4831 2660.3710 0.0000 0.0000 51809.8622 -109486.6991 297.7520 -161296.5613 -109127.4338 298.3275 -125.2496 -95.9391 765580.7374 1.1943 1.2534 PRESSURE: 2305800 0.842532 -27.618 147.301 -27.6168 -310.146 79.0604 147.301 79.06 62.7093 GPRESSURE: 2305800 94.7763 -20.0833 112.999 103.134 -270.527 114.704 104.376 119.132 1.08788 PRESSAVG: 2305800 12.8007 25.0636 74.9152 25.0635 25.5897 61.7901 74.9152 61.7901 9.30945 GPRESSAVG: 2305800 13.1168 25.3624 75.005 24.8193 25.4636 57.5487 74.3683 64.0385 8.93003 TIMING: 2305800 CPU: 7285.76, 0.0031541/step Wall: 7285.76, 0.0031541/step, 2.36049 hours remaining, 235.800781 MB of memory in use. ENERGY: 2305800 3977.5120 20621.4130 14559.6851 239.5104 -203620.1089 2631.9266 0.0000 0.0000 51948.2882 -109641.7735 298.5475 -161590.0618 -109275.7474 298.4412 -82.1982 -58.2209 764100.1845 15.9000 15.8368 PRESSURE: 2306000 -52.624 213.944 -107.677 213.944 57.8153 61.2146 -107.677 61.2146 -189.64 GPRESSURE: 2306000 5.96852 186.37 7.80484 87.8655 18.4723 46.7031 27.8181 179.723 -122.468 PRESSAVG: 2306000 75.5223 53.0064 29.0093 53.0064 -46.9667 83.216 29.0093 83.2161 -5.25317 GPRESSAVG: 2306000 74.8097 54.8347 30.7741 53.0208 -46.1396 84.9513 28.6852 81.4833 -5.09333 TIMING: 2306000 CPU: 7286.39, 0.00314463/step Wall: 7286.39, 0.00314463/step, 2.35323 hours remaining, 235.789062 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: 2306000 4017.6665 20386.3088 14529.1113 255.5013 -203335.5232 2833.9365 0.0000 0.0000 51880.7726 -109432.2263 298.1595 -161312.9988 -109067.2541 298.9581 -61.4831 -32.6759 763085.3421 7.7675 7.8589 PRESSURE: 2306200 169.729 -135.829 63.7546 -135.829 92.5342 -104.618 63.7535 -104.618 148.235 GPRESSURE: 2306200 196.381 -124.613 82.8846 -6.80441 44.6756 -90.7346 71.9487 92.026 252.728 PRESSAVG: 2306200 36.3521 -1.22446 -66.6375 -1.22454 -38.0839 29.7162 -66.6375 29.7162 14.6406 GPRESSAVG: 2306200 37.8741 -3.52333 -67.4467 -1.46141 -39.5223 31.7592 -67.3466 28.6717 14.4106 TIMING: 2306200 CPU: 7287.01, 0.00313479/step Wall: 7287.01, 0.00313479/step, 2.3457 hours remaining, 235.777344 MB of memory in use. ENERGY: 2306200 3959.2327 20673.4095 14473.1857 252.2739 -203618.6714 2916.6027 0.0000 0.0000 51927.6215 -109416.3454 298.4288 -161343.9670 -109050.1062 298.3880 136.8328 164.5948 763988.7973 4.3030 4.2541 PRESSURE: 2306400 345.872 -58.6047 208.857 -58.6048 -67.433 47.2067 208.858 47.2066 25.4819 GPRESSURE: 2306400 400.27 -211.491 218.038 -0.399049 -34.5647 48.3485 150.001 6.40731 18.1116 PRESSAVG: 2306400 7.16048 -28.0646 -30.9086 -28.0646 -6.68337 75.586 -30.9086 75.586 -22.9389 GPRESSAVG: 2306400 7.19482 -25.7828 -28.9776 -27.9659 -7.24364 72.9717 -31.2974 77.5063 -22.4321 TIMING: 2306400 CPU: 7287.64, 0.00314615/step Wall: 7287.64, 0.00314615/step, 2.35402 hours remaining, 235.800781 MB of memory in use. ENERGY: 2306400 3930.4000 20640.1712 14497.2969 237.9027 -203317.8271 2681.0840 0.0000 0.0000 51870.9601 -109460.0120 298.1031 -161330.9721 -109086.1803 298.6900 101.3071 127.9391 763458.1950 -7.4873 -7.4936 PRESSURE: 2306600 451.842 73.7005 -206.319 73.6998 -172.296 62.0214 -206.319 62.0223 -19.1765 GPRESSURE: 2306600 377.548 82.2181 -298.921 71.1439 -90.628 58.4211 -70.7526 -59.9682 34.9799 PRESSAVG: 2306600 -24.4647 -64.1272 -49.1586 -64.1272 -23.5981 14.3714 -49.1585 14.3714 24.3463 GPRESSAVG: 2306600 -25.1855 -66.2316 -51.1003 -61.8088 -21.5927 16.7008 -48.0942 12.5939 23.6764 TIMING: 2306600 CPU: 7288.27, 0.00313891/step Wall: 7288.27, 0.00313891/step, 2.34843 hours remaining, 235.800781 MB of memory in use. ENERGY: 2306600 3973.1377 20498.3823 14498.7380 249.5775 -203608.6453 3067.2413 0.0000 0.0000 51897.2795 -109424.2889 298.2544 -161321.5685 -109062.3851 298.5133 86.7901 107.2998 763184.1985 -7.9055 -7.7006 PRESSURE: 2306800 80.0517 21.0516 -156.58 21.0514 196.02 114.587 -156.579 114.587 258.781 GPRESSURE: 2306800 102.474 38.6102 -137.762 -7.36395 201.001 104.828 -49.8596 194.418 302.847 PRESSAVG: 2306800 24.0737 -40.4319 -19.4929 -40.4319 -95.8127 -18.3765 -19.493 -18.3765 22.2733 GPRESSAVG: 2306800 24.7702 -38.814 -17.5092 -41.2845 -97.8212 -19.5284 -21.1596 -18.8554 23.2683 TIMING: 2306800 CPU: 7288.9, 0.0031289/step Wall: 7288.9, 0.0031289/step, 2.34076 hours remaining, 235.800781 MB of memory in use. ENERGY: 2306800 3936.6080 20665.2699 14424.1321 237.7060 -203809.1934 3152.0417 0.0000 0.0000 52065.2913 -109328.1445 299.2199 -161393.4358 -108964.1524 298.6381 178.2842 202.1073 761874.7912 -16.4886 -16.5942 PRESSURE: 2307000 96.3764 -108.919 -77.408 -108.92 21.3779 118.192 -77.4085 118.193 205.052 GPRESSURE: 2307000 97.5083 -27.643 -57.3072 -59.2017 66.8307 159.951 31.3894 203.269 247.619 PRESSAVG: 2307000 37.7893 -11.1796 -101.733 -11.1796 -33.9383 11.9932 -101.733 11.9932 -10.4097 GPRESSAVG: 2307000 36.7552 -11.4252 -103.514 -11.355 -32.9364 11.0523 -99.2635 13.8024 -10.3217 TIMING: 2307000 CPU: 7289.53, 0.00313837/step Wall: 7289.53, 0.00313837/step, 2.34768 hours remaining, 235.800781 MB of memory in use. ENERGY: 2307000 3939.2546 20607.0466 14458.9138 261.9904 -203002.2492 2715.6069 0.0000 0.0000 51912.6989 -109106.7380 298.3430 -161019.4369 -108746.4749 299.3462 107.6021 137.3193 763233.0735 -2.1862 -2.1677 PRESSURE: 2307200 256.656 155.992 -253.551 155.991 75.9792 36.1328 -253.551 36.1331 63.3126 GPRESSURE: 2307200 342.052 122.149 -324.646 136.79 110.189 -39.57 -202.5 108.412 20.5639 PRESSAVG: 2307200 -1.00651 -30.4961 -26.6235 -30.4961 7.03544 0.0536018 -26.6234 0.0535804 -17.1594 GPRESSAVG: 2307200 -0.320151 -30.92 -27.3982 -31.4734 6.6128 1.94175 -27.0608 -3.12039 -17.2452 TIMING: 2307200 CPU: 7290.15, 0.00314345/step Wall: 7290.15, 0.00314345/step, 2.3513 hours remaining, 235.800781 MB of memory in use. ENERGY: 2307200 3929.5795 20555.3444 14417.9723 240.6929 -203353.1455 2853.7332 0.0000 0.0000 52248.0339 -109107.7894 300.2702 -161355.8233 -108754.6843 299.7593 131.9827 157.6017 762587.2950 -3.7101 -3.6509 PRESSURE: 2307400 458.305 145.121 -51.1063 145.122 179.565 0.219296 -51.1069 0.219382 -248.759 GPRESSURE: 2307400 376.873 8.87626 -21.0362 -51.8452 279.245 24.6378 -126.131 95.1921 -193.481 PRESSAVG: 2307400 1.03747 -27.0724 -17.5716 -27.0723 7.57411 9.96635 -17.5716 9.96628 -14.1718 GPRESSAVG: 2307400 -0.0347784 -28.16 -17.2995 -25.5584 8.12766 9.02499 -18.4542 13.9951 -13.4249 TIMING: 2307400 CPU: 7290.78, 0.00313094/step Wall: 7290.78, 0.00313094/step, 2.34177 hours remaining, 235.800781 MB of memory in use. ENERGY: 2307400 3962.1682 20662.3567 14597.1263 263.5124 -203548.0239 3026.0002 0.0000 0.0000 52067.4818 -108969.3785 299.2325 -161036.8603 -108605.8464 299.9533 129.7037 154.2121 761781.4077 -1.8534 -1.7773 PRESSURE: 2307600 -341.672 227.85 -46.6097 227.849 140.462 103.076 -46.6092 103.075 210.585 GPRESSURE: 2307600 -205.699 160.459 70.3277 250.638 93.2927 58.9986 -63.8201 89.8041 177.65 PRESSAVG: 2307600 22.9048 7.42698 -76.9517 7.42697 -5.72288 32.1076 -76.9516 32.1076 12.43 GPRESSAVG: 2307600 24.1203 7.64467 -77.2886 6.01655 -5.55781 33.0179 -76.8278 30.0251 11.7118 TIMING: 2307600 CPU: 7291.41, 0.00313068/step Wall: 7291.41, 0.00313068/step, 2.3414 hours remaining, 235.800781 MB of memory in use. ENERGY: 2307600 4010.1172 20492.2101 14531.3535 254.0154 -203160.8299 2717.8516 0.0000 0.0000 52032.1842 -109123.0979 299.0297 -161155.2821 -108752.0732 299.3992 3.1251 21.7479 763406.4773 9.8706 10.0914 PRESSURE: 2307800 161.132 -263.482 99.2751 -263.482 -186.923 -227.693 99.2753 -227.695 -14.4618 GPRESSURE: 2307800 184.541 -301.603 69.0894 -154.097 -193.652 -204.736 98.8151 -119.922 56.3511 PRESSAVG: 2307800 44.8687 54.5877 -34.6909 54.5878 -21.6231 -17.4615 -34.6909 -17.4616 28.7458 GPRESSAVG: 2307800 44.7636 53.5225 -33.7953 54.2374 -22.071 -19.1795 -33.919 -15.8365 29.0064 TIMING: 2307800 CPU: 7292.03, 0.00314102/step Wall: 7292.03, 0.00314102/step, 2.34896 hours remaining, 235.800781 MB of memory in use. ENERGY: 2307800 4015.3170 20529.2733 14479.7470 246.1263 -203032.1153 2582.8909 0.0000 0.0000 52127.4653 -109051.2956 299.5773 -161178.7608 -108689.0898 299.3315 -13.4177 15.7465 762562.1116 17.3304 17.2330 PRESSURE: 2308000 232.821 142.67 -21.7462 142.67 -134.725 -40.1396 -21.746 -40.1398 -147.327 GPRESSURE: 2308000 242.182 180.276 -81.5776 177.782 -54.9131 0.521684 14.4888 -59.7992 -162.788 PRESSAVG: 2308000 28.9889 20.5414 30.3705 20.5414 9.10548 25.6763 30.3706 25.6763 5.02854 GPRESSAVG: 2308000 28.9489 22.2563 29.5122 20.834 9.28945 27.5118 30.9599 25.54 4.72829 TIMING: 2308000 CPU: 7292.66, 0.00314477/step Wall: 7292.66, 0.00314477/step, 2.35159 hours remaining, 235.789062 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: 2308000 3964.5497 20558.7864 14498.0304 261.8246 -203359.4105 2914.4641 0.0000 0.0000 52336.0578 -108825.6976 300.7760 -161161.7554 -108455.5652 299.9415 -16.4100 8.1603 762707.8504 14.3743 14.3222 PRESSURE: 2308200 -356.876 12.8756 -49.3694 12.8762 -357.846 -124.815 -49.3697 -124.815 -599.339 GPRESSURE: 2308200 -396.592 46.1042 -9.09361 -56.9797 -329.793 -188.471 -134.957 -10.7126 -501.302 PRESSAVG: 2308200 -0.973862 -45.0021 9.54361 -45.0021 12.0364 4.5074 9.54365 4.5074 -1.46052 GPRESSAVG: 2308200 -0.932829 -45.079 10.593 -46.4657 11.6933 2.013 6.87857 3.11487 -1.28388 TIMING: 2308200 CPU: 7293.29, 0.0031303/step Wall: 7293.29, 0.0031303/step, 2.3406 hours remaining, 235.867188 MB of memory in use. ENERGY: 2308200 4056.9933 20592.0638 14498.5416 260.6072 -202890.3797 2331.1363 0.0000 0.0000 52218.6878 -108932.3496 300.1015 -161151.0375 -108575.3271 299.9607 -438.0200 -409.2289 764910.2623 3.2007 3.1589 LDB: ============= START OF LOAD BALANCING ============== 7305.82 LDB: ============== END OF LOAD BALANCING =============== 7305.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7305.82 LDB: ============= START OF LOAD BALANCING ============== 7306.14 LDB: Largest compute 7077 load 0.031882 is 16.3% of average load 0.195467 LDB: Average compute 0.004410 is 2.3% of average load 0.195467 LDB: TIME 7306.14 LOAD: AVG 0.195467 MAX 0.214439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 7306.14 LOAD: AVG 0.195467 MAX 0.214439 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 7306.14 LOAD: AVG 0.195467 MAX 0.214439 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 7306.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7306.15 PRESSURE: 2308400 -114.584 -177.932 -148.029 -177.933 -9.50337 -3.61134 -148.029 -3.61191 34.8778 GPRESSURE: 2308400 -55.2778 -114.847 -108.453 -237.802 12.2247 3.73877 -59.5152 -7.87871 18.944 PRESSAVG: 2308400 16.2276 -18.5767 22.2065 -18.5767 -32.043 -30.1595 22.2065 -30.1594 -2.41057 GPRESSAVG: 2308400 15.5894 -20.565 22.0335 -18.1854 -30.4701 -27.7964 23.318 -27.8767 -3.50504 TIMING: 2308400 CPU: 7293.93, 0.00320985/step Wall: 7293.93, 0.00320985/step, 2.3999 hours remaining, 234.882812 MB of memory in use. ENERGY: 2308400 3983.0001 20380.2458 14562.3831 253.5080 -203017.4299 2707.0621 0.0000 0.0000 52114.8842 -109016.3466 299.5050 -161131.2308 -108641.4167 300.5033 -29.7367 -8.0363 763260.3296 -6.0753 -6.1286 PRESSURE: 2308600 74.74 -79.5325 234.643 -79.5322 -247.445 -2.10719 234.642 -2.10626 296.383 GPRESSURE: 2308600 62.8967 37.0807 249.97 -18.3749 -136.228 72.1246 292.058 -121.264 262.179 PRESSAVG: 2308600 77.7597 -9.92806 18.0425 -9.92807 -70.9467 -21.8078 18.0426 -21.8076 12.5134 GPRESSAVG: 2308600 78.0251 -7.23521 18.4395 -10.5752 -71.1006 -22.8141 18.7252 -22.1899 13.1573 TIMING: 2308600 CPU: 7294.56, 0.00314073/step Wall: 7294.56, 0.00314073/step, 2.34805 hours remaining, 234.882812 MB of memory in use. ENERGY: 2308600 3977.9161 20480.2496 14435.4367 242.7173 -203562.8181 2954.0392 0.0000 0.0000 52212.5498 -109259.9095 300.0662 -161472.4593 -108895.9542 299.5699 41.2261 62.9493 762678.6686 6.4421 6.6939 PRESSURE: 2308800 161.593 -92.3544 -159.429 -92.3546 133.068 -282.171 -159.429 -282.171 433.158 GPRESSURE: 2308800 257.225 -164.498 -187.127 -62.5286 164.766 -196.864 -184.655 -197.298 372.576 PRESSAVG: 2308800 13.2979 55.8651 -38.5222 55.8652 -62.3111 -1.43707 -38.5221 -1.43702 -17.2244 GPRESSAVG: 2308800 14.6342 55.2719 -39.0196 58.1087 -63.8704 -1.64842 -36.7535 -2.55438 -16.9944 TIMING: 2308800 CPU: 7295.19, 0.00314217/step Wall: 7295.19, 0.00314216/step, 2.34894 hours remaining, 234.882812 MB of memory in use. ENERGY: 2308800 3992.0640 20418.2976 14531.7360 248.3702 -203386.7447 3008.5215 0.0000 0.0000 51849.1414 -109338.6140 297.9777 -161187.7554 -108976.0874 298.5698 242.6064 264.8557 762390.4603 -22.0792 -22.0769 PRESSURE: 2309000 1.52685 -57.0376 -160.316 -57.037 -165.352 122.296 -160.317 122.295 -69.8658 GPRESSURE: 2309000 49.2881 -99.5985 -129.531 -113.185 -90.5919 152.566 -119.334 52.6645 -86.771 PRESSAVG: 2309000 91.3307 37.2664 -7.07994 37.2664 -84.3164 5.43566 -7.07995 5.43551 29.7617 GPRESSAVG: 2309000 88.8864 35.3347 -6.67674 37.0233 -82.3974 7.09966 -10.268 6.56366 30.4348 TIMING: 2309000 CPU: 7295.81, 0.00311974/step Wall: 7295.81, 0.00311974/step, 2.33201 hours remaining, 235.085938 MB of memory in use. ENERGY: 2309000 3923.4696 20444.4495 14473.3533 253.0216 -203411.0223 2863.8802 0.0000 0.0000 52382.2874 -109070.5607 301.0417 -161452.8481 -108696.4500 298.8440 -77.8971 -42.6916 762176.3013 12.2587 12.3079 PRESSURE: 2309200 305.737 -198.653 47.358 -198.654 113.183 -145.593 47.3587 -145.593 -40.6122 GPRESSURE: 2309200 333.816 -97.0576 48.1693 -157.665 128.839 -163.263 74.4488 -210.641 0.785857 PRESSAVG: 2309200 63.3888 -30.8244 37.0383 -30.8244 -41.9998 -2.81752 37.0383 -2.81752 7.53304 GPRESSAVG: 2309200 65.094 -29.6831 38.4519 -30.0554 -42.8837 -4.8417 37.1756 -2.76827 6.84922 TIMING: 2309200 CPU: 7296.44, 0.00313494/step Wall: 7296.44, 0.00313494/step, 2.34319 hours remaining, 235.085938 MB of memory in use. ENERGY: 2309200 4006.3203 20588.8755 14486.4778 257.7559 -203197.4996 2829.2311 0.0000 0.0000 52100.3615 -108928.4776 299.4215 -161028.8391 -108573.8649 299.8379 126.1029 154.4803 761207.5806 9.6407 9.6865 PRESSURE: 2309400 41.255 -77.9706 -131.11 -77.9709 59.7896 39.0536 -131.109 39.0526 -9.0984 GPRESSURE: 2309400 19.1186 -111.69 -103.766 10.6072 174.209 97.3268 -107.143 179.722 -14.7432 PRESSAVG: 2309400 35.4614 29.4266 44.4769 29.4267 -31.7751 -30.1079 44.4768 -30.1079 -9.59108 GPRESSAVG: 2309400 34.051 26.4945 44.5001 30.7763 -30.1507 -31.9511 44.9456 -26.8367 -9.93458 TIMING: 2309400 CPU: 7297.07, 0.00313828/step Wall: 7297.07, 0.00313827/step, 2.34551 hours remaining, 235.085938 MB of memory in use. ENERGY: 2309400 4005.9337 20538.3049 14442.0832 258.9923 -203150.6255 2788.0375 0.0000 0.0000 52365.5780 -108751.6959 300.9457 -161117.2739 -108390.1854 299.9572 30.6487 59.5283 762658.1099 -1.9683 -2.0114 PRESSURE: 2309600 18.0238 215.158 167.829 215.159 -41.3336 -147.35 167.829 -147.351 -10.3056 GPRESSURE: 2309600 82.9002 175.698 224.555 204.646 30.4333 -192.492 214.883 12.6244 -60.8854 PRESSAVG: 2309600 -7.1985 53.5852 66.0287 53.5852 -5.48268 15.1748 66.0288 15.1748 -5.63651 GPRESSAVG: 2309600 -6.51595 55.3529 65.7956 49.4486 -6.59628 17.2508 67.4304 11.5627 -5.09319 TIMING: 2309600 CPU: 7297.69, 0.00313287/step Wall: 7297.69, 0.00313287/step, 2.3413 hours remaining, 235.085938 MB of memory in use. ENERGY: 2309600 3983.5653 20647.3515 14465.7334 255.0162 -202845.1347 2573.4169 0.0000 0.0000 52180.9573 -108739.0941 299.8847 -160920.0514 -108366.7850 300.5654 -11.2052 17.4827 762926.5408 -6.1059 -6.0685 PRESSURE: 2309800 75.5846 206.745 -123.682 206.746 253.076 -3.34698 -123.682 -3.34633 -211.063 GPRESSURE: 2309800 116.408 286.221 50.7692 37.3101 237.181 1.98025 -213.303 14.9525 -149.17 PRESSAVG: 2309800 -7.29881 -24.0456 2.00339 -24.0457 0.56132 27.2189 2.0034 27.2188 -3.07509 GPRESSAVG: 2309800 -6.67905 -25.052 1.39065 -20.6755 0.0504496 27.6753 1.27827 24.8213 -2.8463 TIMING: 2309800 CPU: 7298.32, 0.00311828/step Wall: 7298.32, 0.00311828/step, 2.33022 hours remaining, 235.085938 MB of memory in use. ENERGY: 2309800 3979.9166 20515.6325 14450.5449 256.4974 -203180.8989 2922.5451 0.0000 0.0000 52200.3378 -108855.4247 299.9961 -161055.7625 -108488.5316 300.1140 39.1993 68.1397 763554.6203 -3.2709 -3.1583 PRESSURE: 2310000 -438.323 21.8131 -115.017 21.8144 -215.067 -315.015 -115.017 -315.013 -270.585 GPRESSURE: 2310000 -336.564 33.3144 -188.683 -7.98036 -239.072 -270.208 75.5564 -218.161 -260.242 PRESSAVG: 2310000 12.4113 1.46946 -8.55591 1.46941 -52.8409 -9.36356 -8.55596 -9.36356 -11.546 GPRESSAVG: 2310000 12.3503 3.48711 -9.71595 -0.0386239 -51.1783 -9.46839 -7.63842 -7.99207 -13.1082 TIMING: 2310000 CPU: 7298.95, 0.00314226/step Wall: 7298.95, 0.00314226/step, 2.34796 hours remaining, 235.085938 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: 2310000 3990.6426 20600.0835 14527.6314 243.8947 -202742.5296 2473.7883 0.0000 0.0000 52210.9405 -108695.5485 300.0570 -160906.4890 -108333.7848 299.7754 -307.9917 -278.6261 763495.1659 -17.3252 -17.3121 PRESSURE: 2310200 95.0595 6.61605 29.63 6.61614 50.5704 80.987 29.6291 80.9869 224.212 GPRESSURE: 2310200 95.1729 -62.8751 46.1738 0.270524 58.9343 11.9771 56.0877 134.04 297.614 PRESSAVG: 2310200 18.3608 -60.005 11.1571 -60.005 12.6357 -31.2973 11.1571 -31.2973 10.0519 GPRESSAVG: 2310200 19.2392 -60.9854 12.2754 -58.6067 10.0794 -32.1334 10.2404 -27.6879 11.773 TIMING: 2310200 CPU: 7299.57, 0.0031457/step Wall: 7299.57, 0.0031457/step, 2.35036 hours remaining, 235.074219 MB of memory in use. ENERGY: 2310200 4039.5508 20576.2193 14485.2562 244.4924 -203218.9464 2762.5861 0.0000 0.0000 52263.2560 -108847.5857 300.3577 -161110.8417 -108496.0346 300.1816 123.2805 150.5738 760823.5055 13.6828 13.6972 PRESSURE: 2310400 -346.071 220.621 -42.9803 220.621 -148.556 -148.204 -42.9807 -148.204 -61.8011 GPRESSURE: 2310400 -353.416 247.68 -56.6996 175.016 -46.548 -39.3348 -44.048 -244.212 -56.8742 PRESSAVG: 2310400 -25.2561 -32.797 -15.1614 -32.797 45.0777 18.6124 -15.1614 18.6124 -5.75625 GPRESSAVG: 2310400 -26.5122 -32.6491 -16.6545 -34.7244 46.9298 18.3796 -15.2216 18.0059 -6.03652 TIMING: 2310400 CPU: 7300.2, 0.00312707/step Wall: 7300.2, 0.00312707/step, 2.33627 hours remaining, 235.074219 MB of memory in use. ENERGY: 2310400 4032.3235 20593.6572 14425.9622 261.6325 -203596.9646 2979.7284 0.0000 0.0000 52141.6720 -109161.9887 299.6589 -161303.6607 -108803.5248 299.8410 -185.4762 -152.2796 762124.2225 4.6884 4.7937 PRESSURE: 2310600 224.768 7.54705 70.2287 7.54632 157.139 -64.7444 70.229 -64.7439 -132.12 GPRESSURE: 2310600 249.424 45.9039 165.06 33.1465 132.381 -98.6712 32.7004 -153.026 -62.9226 PRESSAVG: 2310600 -10.9687 25.0392 -9.08519 25.0393 30.6045 17.3039 -9.08515 17.3039 -1.04116 GPRESSAVG: 2310600 -10.515 23.977 -7.80321 26.8194 29.669 18.2503 -8.74909 13.528 -1.03076 TIMING: 2310600 CPU: 7300.83, 0.00313272/step Wall: 7300.83, 0.00313272/step, 2.34031 hours remaining, 235.074219 MB of memory in use. ENERGY: 2310600 4006.1042 20481.2756 14469.4963 244.5866 -203663.4971 3004.9312 0.0000 0.0000 52173.5737 -109283.5295 299.8422 -161457.1032 -108919.1798 299.2040 83.2624 106.2939 761035.9425 6.1982 6.0411 PRESSURE: 2310800 56.7992 86.2061 -137.224 86.2068 67.9751 39.7609 -137.223 39.7608 18.275 GPRESSURE: 2310800 123.092 121.086 -59.7764 188.143 -14.2926 -81.1224 -186.864 128.551 113.417 PRESSAVG: 2310800 -34.7424 -8.75882 -1.03227 -8.75885 50.0377 -28.2228 -1.03217 -28.2228 -3.75199 GPRESSAVG: 2310800 -34.2463 -6.65531 -0.749686 -10.0636 49.9829 -28.9656 -2.48221 -25.4959 -3.85991 TIMING: 2310800 CPU: 7301.46, 0.00314724/step Wall: 7301.46, 0.00314724/step, 2.35099 hours remaining, 235.085938 MB of memory in use. ENERGY: 2310800 3952.6609 20676.6725 14495.7800 224.9827 -203504.3283 2878.6330 0.0000 0.0000 51900.5725 -109375.0268 298.2733 -161275.5993 -109025.5572 299.0453 47.6831 74.0723 762841.1115 3.8478 3.9589 PRESSURE: 2311000 135.668 -45.1733 20.2891 -45.1742 35.3529 46.3928 20.2882 46.3926 -340.942 GPRESSURE: 2311000 90.9374 -9.73475 1.51534 -119.534 45.6925 64.8721 -77.71 60.9943 -216.761 PRESSAVG: 2311000 -35.502 -39.7026 -16.7891 -39.7026 1.44011 50.3994 -16.7891 50.3995 -15.4896 GPRESSAVG: 2311000 -36.2889 -42.5677 -16.5652 -39.146 1.44555 48.4402 -16.2351 50.4534 -15.0841 TIMING: 2311000 CPU: 7302.08, 0.00313982/step Wall: 7302.08, 0.00313982/step, 2.34527 hours remaining, 235.085938 MB of memory in use. ENERGY: 2311000 3951.1170 20472.9134 14438.5184 266.5144 -203397.9011 2837.4748 0.0000 0.0000 52169.4323 -109261.9307 299.8184 -161431.3631 -108898.0168 299.3160 -56.6403 -26.7102 762001.1615 -16.5172 -16.6425 PRESSURE: 2311200 242.596 72.768 -109.524 72.7685 269.389 -153.292 -109.524 -153.29 -352.59 GPRESSURE: 2311200 233.587 120.881 -124.127 152.366 363.687 -102.195 -151.056 -155.872 -357.606 PRESSAVG: 2311200 25.8467 -18.2354 -25.2448 -18.2354 4.7285 22.9797 -25.2447 22.9798 -9.3963 GPRESSAVG: 2311200 24.3106 -14.608 -25.6863 -19.8156 6.3575 24.2997 -26.4615 21.756 -9.87872 TIMING: 2311200 CPU: 7302.71, 0.00315016/step Wall: 7302.71, 0.00315016/step, 2.35282 hours remaining, 235.085938 MB of memory in use. ENERGY: 2311200 4027.7629 20406.9713 14383.8473 241.9480 -203340.4292 2801.0170 0.0000 0.0000 52006.5418 -109472.3409 298.8823 -161478.8826 -109106.9258 299.5170 53.1314 79.8893 760841.0664 7.0596 6.9298 PRESSURE: 2311400 -130.908 -278.569 228.299 -278.569 -294.392 -215.209 228.299 -215.21 119.13 GPRESSURE: 2311400 -50.4732 -237.179 147.121 -189.582 -229.392 -211.181 215.144 -107.339 57.555 PRESSAVG: 2311400 -20.9851 -10.1804 -33.0022 -10.1804 13.1532 19.6051 -33.0021 19.605 4.14236 GPRESSAVG: 2311400 -19.3942 -11.1824 -33.4961 -8.92461 12.1714 19.1942 -31.9524 21.6233 3.49533 TIMING: 2311400 CPU: 7303.35, 0.00315802/step Wall: 7303.35, 0.00315802/step, 2.35852 hours remaining, 235.085938 MB of memory in use. ENERGY: 2311400 4018.6447 20600.6759 14457.9910 242.8829 -203001.3379 2472.3361 0.0000 0.0000 51990.7249 -109218.0823 298.7914 -161208.8073 -108851.0484 298.7847 -102.0569 -74.1034 762334.9661 -1.2299 -1.2425 PRESSURE: 2311600 -135.587 -46.8242 -64.4461 -46.8235 42.2725 -19.9835 -64.4465 -19.9855 253.441 GPRESSURE: 2311600 -131.533 -93.5582 5.23152 -100.596 85.1833 13.5397 -48.4651 34.1989 263.434 PRESSAVG: 2311600 -14.5211 -33.6195 -16.0267 -33.6195 8.94857 -21.6627 -16.0267 -21.6627 21.1116 GPRESSAVG: 2311600 -13.9782 -34.0817 -14.5799 -35.3672 8.17429 -20.9297 -17.9592 -24.8426 21.0621 TIMING: 2311600 CPU: 7303.98, 0.00315281/step Wall: 7303.98, 0.00315281/step, 2.35445 hours remaining, 235.085938 MB of memory in use. ENERGY: 2311600 4027.6558 20691.9327 14513.5510 268.2680 -203590.9735 2845.1967 0.0000 0.0000 51868.5156 -109375.8536 298.0891 -161244.3693 -109011.0536 299.0220 53.3756 72.3615 761547.4138 5.1797 5.0861 PRESSURE: 2311800 -140.44 13.4191 0.660276 13.4184 -78.7323 113.581 0.660632 113.581 19.6611 GPRESSURE: 2311800 -69.2492 187.148 23.6994 55.8263 -28.7802 29.0201 -63.8126 104.392 -13.4599 PRESSAVG: 2311800 11.3915 -23.4597 -13.4866 -23.4598 -14.6717 6.8602 -13.4866 6.86021 -19.4629 GPRESSAVG: 2311800 11.0945 -21.7679 -15.1341 -20.6667 -14.3016 6.35147 -11.1219 8.61992 -19.781 TIMING: 2311800 CPU: 7304.61, 0.00316787/step Wall: 7304.61, 0.00316787/step, 2.36552 hours remaining, 235.085938 MB of memory in use. ENERGY: 2311800 4001.6703 20584.3556 14442.5064 241.7590 -203482.9528 2792.9525 0.0000 0.0000 52046.6024 -109373.1067 299.1125 -161419.7092 -109010.0560 299.1914 -66.5036 -37.1631 762251.8520 -7.5810 -7.6627 PRESSURE: 2312000 220.621 -12.8569 -34.5286 -12.8561 165.561 -187.837 -34.5283 -187.837 431.166 GPRESSURE: 2312000 176.231 54.0946 5.62104 71.3103 362.149 -211.498 40.5088 -137.56 379.022 PRESSAVG: 2312000 40.4582 -9.07268 -66.9124 -9.07271 -63.7721 -11.7296 -66.9124 -11.7295 0.285083 GPRESSAVG: 2312000 40.3587 -9.63917 -65.84 -8.52852 -62.6735 -14.0953 -68.4983 -10.5515 -0.496113 TIMING: 2312000 CPU: 7305.24, 0.00314648/step Wall: 7305.24, 0.00314648/step, 2.34937 hours remaining, 235.085938 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: 2312000 4009.3576 20608.3596 14456.4801 263.2071 -203847.7637 3151.5062 0.0000 0.0000 51855.3223 -109503.5308 298.0133 -161358.8531 -109148.7459 298.5200 272.4496 305.8007 760436.7121 -7.6763 -7.6037 PRESSURE: 2312200 -107.827 282.62 -181.619 282.619 -223.981 225.959 -181.619 225.96 45.7351 GPRESSURE: 2312200 -183.493 258.78 -241.73 171.52 -142.913 227.569 -232.344 279.968 123.101 PRESSAVG: 2312200 -5.67436 -61.4655 -19.8209 -61.4654 -44.1769 -30.7639 -19.8209 -30.7639 -3.63163 GPRESSAVG: 2312200 -6.76957 -61.0634 -20.2427 -62.131 -43.9861 -29.3482 -17.9796 -30.3064 -2.46997 TIMING: 2312200 CPU: 7305.87, 0.00313614/step Wall: 7305.87, 0.00313614/step, 2.34148 hours remaining, 235.085938 MB of memory in use. ENERGY: 2312200 3959.6739 20455.7735 14524.7531 249.4528 -203015.6683 2591.7878 0.0000 0.0000 51766.8150 -109467.4122 297.5046 -161234.2272 -109109.1439 298.0368 -95.3578 -67.7682 763622.9633 -17.8276 -17.7419 LDB: ============= START OF LOAD BALANCING ============== 7318.4 LDB: ============== END OF LOAD BALANCING =============== 7318.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7318.4 LDB: ============= START OF LOAD BALANCING ============== 7318.71 LDB: Largest compute 7056 load 0.031097 is 15.9% of average load 0.195477 LDB: Average compute 0.004412 is 2.3% of average load 0.195477 LDB: TIME 7318.72 LOAD: AVG 0.195477 MAX 0.212236 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.137 MB LDB: TIME 7318.72 LOAD: AVG 0.195477 MAX 0.212236 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.141 MB LDB: TIME 7318.72 LOAD: AVG 0.195477 MAX 0.212236 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.141 MB LDB: ============== END OF LOAD BALANCING =============== 7318.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7318.72 PRESSURE: 2312400 -271.547 -182.958 -136.674 -182.958 -249.741 54.0778 -136.674 54.0778 -409.555 GPRESSURE: 2312400 -202.847 -195.544 -33.2819 -151.957 -150.749 129.177 -227.711 13.8831 -482.501 PRESSAVG: 2312400 -54.5152 9.51437 -30.8602 9.51434 51.9661 -33.6882 -30.8601 -33.6882 -24.0643 GPRESSAVG: 2312400 -53.3154 7.9021 -32.662 8.76252 51.5413 -32.0848 -31.4347 -36.4481 -25.1018 TIMING: 2312400 CPU: 7306.51, 0.00320511/step Wall: 7306.51, 0.00320511/step, 2.3928 hours remaining, 236.128906 MB of memory in use. ENERGY: 2312400 4045.4532 20477.1311 14369.0335 246.0493 -203667.9923 2822.6071 0.0000 0.0000 51928.5691 -109779.1491 298.4342 -161707.7182 -109409.4142 298.2816 -310.2813 -278.6991 761970.4141 -8.8711 -8.9586 PRESSURE: 2312600 -103.256 12.5292 274.172 12.5287 -201.997 -269.351 274.172 -269.351 -190.829 GPRESSURE: 2312600 -46.6891 7.01823 182.411 63.7938 -237.92 -264.35 182.09 -203.04 -133.635 PRESSAVG: 2312600 78.1032 9.90239 -20.8521 9.90234 -44.5688 -38.313 -20.852 -38.313 -1.58136 GPRESSAVG: 2312600 79.3639 11.5648 -19.9235 11.5514 -46.9004 -38.0628 -22.0341 -35.9681 -0.658887 TIMING: 2312600 CPU: 7307.14, 0.00314741/step Wall: 7307.14, 0.00314741/step, 2.34954 hours remaining, 236.128906 MB of memory in use. ENERGY: 2312600 4012.9401 20472.8803 14340.6760 249.5330 -203144.3947 2402.4035 0.0000 0.0000 51860.1620 -109805.7997 298.0411 -161665.9617 -109441.6120 297.7451 -165.3606 -139.4148 761999.9996 10.6510 10.6015 PRESSURE: 2312800 305.692 170.939 -6.90538 170.939 -300.451 56.6638 -6.90512 56.6637 -100.141 GPRESSURE: 2312800 255.224 78.7972 4.49337 126.591 -226.909 17.5889 62.598 -7.26904 -38.2604 PRESSAVG: 2312800 22.579 -18.259 71.4652 -18.2589 22.7334 -28.3711 71.4651 -28.371 11.0792 GPRESSAVG: 2312800 20.6546 -22.2325 72.1577 -19.196 25.7174 -28.7641 73.753 -31.4067 9.93233 TIMING: 2312800 CPU: 7307.77, 0.00315143/step Wall: 7307.77, 0.00315142/step, 2.35236 hours remaining, 236.128906 MB of memory in use. ENERGY: 2312800 3920.4165 20689.0058 14446.1931 256.9557 -203849.0971 2862.6346 0.0000 0.0000 52186.7576 -109487.1338 299.9180 -161673.8914 -109118.8195 298.5558 -31.6332 -3.3148 763450.3571 18.7972 18.7681 PRESSURE: 2313000 -92.5035 -170.941 46.683 -170.941 26.1429 168.255 46.6825 168.256 -187.611 GPRESSURE: 2313000 -71.061 -0.432338 -76.675 -174.936 156.035 103.375 -45.9641 199.069 -252.726 PRESSAVG: 2313000 -13.2531 18.0383 -14.6288 18.0383 -38.9259 -3.97338 -14.6287 -3.97337 -5.96701 GPRESSAVG: 2313000 -13.4395 19.9437 -15.9543 18.1589 -39.8249 -4.37113 -16.0892 -1.35247 -5.29053 TIMING: 2313000 CPU: 7308.4, 0.0031424/step Wall: 7308.4, 0.0031424/step, 2.34545 hours remaining, 236.183594 MB of memory in use. ENERGY: 2313000 4016.1709 20561.9215 14502.9001 248.8851 -203414.7688 2722.4423 0.0000 0.0000 52185.3424 -109177.1064 299.9099 -161362.4489 -108820.2001 299.1047 -84.6573 -55.9172 763143.0400 -19.3820 -19.5183 PRESSURE: 2313200 -345.009 228.149 -58.5295 228.149 26.3041 -179.333 -58.53 -179.333 -222.393 GPRESSURE: 2313200 -327.02 248.832 38.2797 265.697 173.739 -143.652 6.94138 -139.231 -299.312 PRESSAVG: 2313200 -21.5744 16.6994 26.3841 16.6993 21.3044 26.6685 26.3841 26.6686 32.5863 GPRESSAVG: 2313200 -20.913 17.8202 28.9317 16.96 20.8318 26.955 26.3623 25.5879 32.0801 TIMING: 2313200 CPU: 7309.03, 0.00315599/step Wall: 7309.03, 0.00315599/step, 2.35542 hours remaining, 236.183594 MB of memory in use. ENERGY: 2313200 4021.8449 20684.5753 14403.2057 268.5611 -203159.2539 2730.5965 0.0000 0.0000 52298.9257 -108751.5448 300.5626 -161050.4705 -108385.0730 300.0478 -180.3661 -150.8643 764554.2264 10.7721 10.6663 PRESSURE: 2313400 -181.068 61.2432 -248.187 61.2423 66.6315 62.5467 -248.186 62.5464 -167.093 GPRESSURE: 2313400 -229.755 -113.571 -266.83 77.4946 46.4174 106.669 -177.446 147.113 -5.15375 PRESSAVG: 2313400 -33.1439 -13.2491 -34.8518 -13.2492 -1.86826 -36.0888 -34.8518 -36.0888 -1.72952 GPRESSAVG: 2313400 -34.0954 -12.6164 -36.9586 -13.3058 -1.5357 -35.9191 -34.2386 -36.1606 -1.07297 TIMING: 2313400 CPU: 7309.66, 0.00316669/step Wall: 7309.66, 0.00316669/step, 2.36323 hours remaining, 236.253906 MB of memory in use. ENERGY: 2313400 3972.3260 20652.0545 14444.3896 263.9634 -203071.4874 2730.0876 0.0000 0.0000 52286.5740 -108722.0923 300.4917 -161008.6663 -108363.5438 300.7199 -93.8431 -62.8305 762733.9794 -12.2472 -12.2347 PRESSURE: 2313600 32.5607 -13.3475 -38.3661 -13.3477 -75.2643 24.774 -38.367 24.775 -62.3677 GPRESSURE: 2313600 -5.5676 -16.8904 -91.6071 -131.88 30.4938 -25.8134 -9.09705 12.1926 -51.9269 PRESSAVG: 2313600 -31.9419 -45.5785 20.4523 -45.5785 3.58342 -15.7746 20.4523 -15.7746 22.1874 GPRESSAVG: 2313600 -32.0269 -46.1505 21.3838 -45.5133 4.17516 -16.3905 21.7633 -14.8591 22.0241 TIMING: 2313600 CPU: 7310.29, 0.00316956/step Wall: 7310.29, 0.00316956/step, 2.3652 hours remaining, 236.253906 MB of memory in use. ENERGY: 2313600 3932.2231 20668.7036 14440.0853 241.6984 -202974.2465 2468.5163 0.0000 0.0000 52375.1474 -108847.8724 301.0007 -161223.0198 -108484.3794 300.2341 -35.0237 -9.0002 762000.8685 -2.0570 -1.9425 PRESSURE: 2313800 33.3964 16.0024 -103.466 16.0021 487.124 134.52 -103.466 134.52 144.973 GPRESSURE: 2313800 -3.94676 76.3899 -68.373 68.5993 511.447 142.665 -182.32 14.1395 219.914 PRESSAVG: 2313800 2.32039 18.7114 -18.0835 18.7115 -10.9577 -37.853 -18.0834 -37.853 -1.07299 GPRESSAVG: 2313800 1.94431 18.1524 -18.4314 18.3359 -9.92622 -37.0081 -19.5237 -40.3219 -1.86396 TIMING: 2313800 CPU: 7310.93, 0.00318757/step Wall: 7310.93, 0.00318757/step, 2.37846 hours remaining, 236.457031 MB of memory in use. ENERGY: 2313800 4033.1058 20678.8848 14393.2546 263.0447 -203079.8202 2641.9052 0.0000 0.0000 52048.4564 -109021.1686 299.1232 -161069.6250 -108654.0830 300.4056 221.8310 242.4715 761291.5330 -3.2368 -3.2820 PRESSURE: 2314000 -262.207 177.534 367.571 177.533 -352.423 -13.7086 367.572 -13.7073 296.766 GPRESSURE: 2314000 -161.466 82.2263 211.094 170.686 -334.905 -108.312 280.192 151.683 280.186 PRESSAVG: 2314000 1.57864 0.249857 5.73078 0.249788 10.8511 31.2243 5.73084 31.2243 9.9375 GPRESSAVG: 2314000 2.98428 -0.634721 4.87127 1.63477 9.4827 31.7082 6.43328 33.0271 9.97484 TIMING: 2314000 CPU: 7311.57, 0.00317662/step Wall: 7311.57, 0.00317662/step, 2.37011 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: 2314000 4052.7054 20743.1578 14464.4271 255.0991 -203350.4585 2674.7771 0.0000 0.0000 52205.7488 -108954.5432 300.0272 -161160.2920 -108609.2454 300.2689 -105.9547 -72.0616 760632.6756 7.4558 7.4806 PRESSURE: 2314200 -287.723 -186.089 -23.7278 -186.09 58.4837 80.6844 -23.7275 80.6852 -17.3378 GPRESSURE: 2314200 -264.674 -92.0051 -114.488 -166.888 66.7431 11.8884 -9.07264 -4.16104 27.1634 PRESSAVG: 2314200 -0.410404 -45.9627 50.0075 -45.9626 27.6606 15.9377 50.0075 15.9377 -14.128 GPRESSAVG: 2314200 0.200109 -42.81 50.641 -47.7472 27.1627 15.0102 49.506 15.111 -13.6089 TIMING: 2314200 CPU: 7312.2, 0.00314337/step Wall: 7312.2, 0.00314337/step, 2.34513 hours remaining, 236.457031 MB of memory in use. ENERGY: 2314200 4045.0087 20534.4511 14457.2308 223.2230 -203355.4032 2713.5370 0.0000 0.0000 52015.0155 -109366.9371 298.9310 -161381.9527 -109005.6261 300.1272 -82.1924 -56.9227 762253.5030 4.3740 4.5846 PRESSURE: 2314400 -33.4335 -204.681 2.27641 -204.68 213.055 203.119 2.27629 203.12 -212.91 GPRESSURE: 2314400 -31.175 -167.661 -7.19858 -45.5743 245.967 178.887 165.493 241.079 -148.645 PRESSAVG: 2314400 -6.58838 -14.927 1.34484 -14.927 -17.4955 -30.7907 1.3448 -30.7906 -6.5132 GPRESSAVG: 2314400 -8.21245 -14.7902 1.10177 -15.8892 -15.2389 -30.874 0.614659 -31.0195 -7.0643 TIMING: 2314400 CPU: 7312.83, 0.00315203/step Wall: 7312.83, 0.00315203/step, 2.35141 hours remaining, 236.457031 MB of memory in use. ENERGY: 2314400 4025.0401 20374.6952 14468.8129 237.9359 -203460.5058 2966.1702 0.0000 0.0000 52320.7303 -109067.1211 300.6880 -161387.8515 -108697.9578 299.7221 -11.0960 22.0489 762653.2503 -10.1990 -10.1719 PRESSURE: 2314600 -126.043 17.3034 199.461 17.3026 269.086 10.9868 199.461 10.9879 -36.0079 GPRESSURE: 2314600 -35.9192 -234.299 129.508 23.705 296.855 -25.5724 231.15 126.288 -76.1925 PRESSAVG: 2314600 -0.924037 4.68732 24.4426 4.68733 32.282 39.0338 24.4426 39.0338 11.7506 GPRESSAVG: 2314600 0.583369 4.40236 24.5207 6.04086 30.5955 38.2688 25.9652 39.4511 11.5441 TIMING: 2314600 CPU: 7313.46, 0.00315372/step Wall: 7313.46, 0.00315372/step, 2.3525 hours remaining, 236.457031 MB of memory in use. ENERGY: 2314600 4058.6170 20606.9704 14447.3726 242.4553 -203428.0852 2853.5980 0.0000 0.0000 51991.9284 -109227.1434 298.7983 -161219.0719 -108869.7665 299.1144 35.6782 61.5813 763179.2247 14.3695 14.2410 PRESSURE: 2314800 46.5165 -89.3997 40.6946 -89.399 82.1778 64.6452 40.6938 64.6441 -54.2326 GPRESSURE: 2314800 107.735 -173.218 -43.2605 -39.039 47.4385 29.2388 25.8925 92.6566 -9.16114 PRESSAVG: 2314800 -38.9816 -1.94198 39.4951 -1.94208 48.5688 54.2029 39.4951 54.2029 -7.04225 GPRESSAVG: 2314800 -38.4972 -3.47693 38.8213 -0.551224 48.0625 55.437 36.6189 54.4727 -7.33964 TIMING: 2314800 CPU: 7314.09, 0.00314927/step Wall: 7314.09, 0.00314927/step, 2.349 hours remaining, 236.523438 MB of memory in use. ENERGY: 2314800 3972.9969 20470.6985 14426.0340 262.8563 -203342.7734 2820.1416 0.0000 0.0000 52235.2051 -109154.8410 300.1964 -161390.0461 -108785.4378 299.1382 24.8206 48.6708 763114.6031 0.8483 0.7419 PRESSURE: 2315000 -240.462 113.753 -11.1981 113.752 -264.087 -93.0909 -11.1988 -93.0902 -405.915 GPRESSURE: 2315000 -204.838 83.6871 86.4607 47.323 -194.498 -20.3517 -95.04 -4.45859 -414.169 PRESSAVG: 2315000 54.4317 11.9638 9.74235 11.9639 -106.643 26.1238 9.74237 26.1237 -0.609348 GPRESSAVG: 2315000 54.5737 12.8997 10.9152 10.4274 -106.783 25.7954 11.2901 24.5636 0.358137 TIMING: 2315000 CPU: 7314.71, 0.0031413/step Wall: 7314.71, 0.0031413/step, 2.34289 hours remaining, 236.523438 MB of memory in use. ENERGY: 2315000 4047.2834 20384.3150 14432.3563 243.7487 -203206.5537 2742.9216 0.0000 0.0000 52027.6129 -109328.3156 299.0034 -161355.9285 -108968.1705 299.5419 -303.4880 -271.1683 764466.7710 -17.6068 -17.2837 PRESSURE: 2315200 -85.56 28.4557 -106.858 28.4557 209.577 -34.5561 -106.859 -34.5565 194.75 GPRESSURE: 2315200 89.0659 -33.9564 -131.687 -35.3491 136.432 -31.4222 -139.878 -103.957 199.844 PRESSAVG: 2315200 22.095 -0.209754 2.70981 -0.209751 -21.621 4.1633 2.70978 4.16325 -35.8633 GPRESSAVG: 2315200 21.4343 -0.594312 2.07094 0.384838 -21.0939 3.26409 1.29967 4.10204 -36.121 TIMING: 2315200 CPU: 7315.34, 0.00313086/step Wall: 7315.34, 0.00313086/step, 2.33492 hours remaining, 236.523438 MB of memory in use. ENERGY: 2315200 3977.0911 20506.6930 14436.4754 247.5829 -203377.1826 2881.8862 0.0000 0.0000 52104.4185 -109223.0355 299.4448 -161327.4541 -108852.1362 299.1669 106.2555 141.7808 765738.0308 -11.7964 -11.9269 PRESSURE: 2315400 -60.0911 -271.696 -151.917 -271.695 -63.2601 135.464 -151.917 135.464 211.873 GPRESSURE: 2315400 19.2958 -238.568 -132.966 -241.424 -3.91263 127.863 -198.682 42.2405 139.622 PRESSAVG: 2315400 13.8463 -38.389 75.6997 -38.389 19.277 -25.1285 75.6997 -25.1285 42.1884 GPRESSAVG: 2315400 14.2808 -37.7404 76.0573 -37.5293 18.7596 -23.7121 75.7813 -24.2898 41.9945 TIMING: 2315400 CPU: 7315.97, 0.00314339/step Wall: 7315.97, 0.00314339/step, 2.3441 hours remaining, 236.523438 MB of memory in use. ENERGY: 2315400 3984.7187 20728.8125 14431.2153 241.4387 -203335.3612 2852.0296 0.0000 0.0000 51865.9637 -109231.1826 298.0744 -161097.1464 -108863.1121 299.5223 29.5073 51.6685 764082.3834 25.1039 25.0116 PRESSURE: 2315600 -215.645 113.089 -24.771 113.089 -198.579 76.0728 -24.7714 76.0743 -377.487 GPRESSURE: 2315600 -248.483 125.477 -8.67833 138.991 -163.241 78.9164 61.2148 122.436 -304.097 PRESSAVG: 2315600 -5.04668 -1.87995 48.996 -1.87988 3.56122 59.0778 48.996 59.0778 5.66519 GPRESSAVG: 2315600 -5.94472 -3.5135 50.2585 -2.38535 3.53015 57.0522 49.4265 60.7178 5.84832 TIMING: 2315600 CPU: 7316.6, 0.00314538/step Wall: 7316.6, 0.00314538/step, 2.34541 hours remaining, 236.523438 MB of memory in use. ENERGY: 2315600 4027.2077 20669.2661 14404.0590 227.8566 -202964.9851 2514.6023 0.0000 0.0000 52013.1378 -109108.8555 298.9202 -161121.9934 -108739.7440 299.4568 -263.9036 -238.6070 764458.1970 1.3932 1.1446 PRESSURE: 2315800 -0.739836 -140.139 -14.8839 -140.139 -162.961 40.8563 -14.8844 40.8553 -55.4279 GPRESSURE: 2315800 7.91132 -62.3136 -11.6145 -189.042 -161.587 -4.84475 -6.36365 51.6716 32.2527 PRESSAVG: 2315800 45.8232 -46.3948 38.3698 -46.3947 -50.0904 -0.758209 38.3698 -0.758174 -19.6541 GPRESSAVG: 2315800 46.1093 -45.6266 36.8282 -47.083 -50.0464 0.189659 39.7618 -1.76374 -19.9247 TIMING: 2315800 CPU: 7317.23, 0.00314332/step Wall: 7317.23, 0.00314332/step, 2.34369 hours remaining, 236.523438 MB of memory in use. ENERGY: 2315800 4029.7601 20500.1365 14439.4770 249.5477 -203560.3046 3140.3808 0.0000 0.0000 52161.8867 -109039.1158 299.7751 -161201.0025 -108681.0001 300.0818 -73.0428 -40.4742 764319.8002 -7.9738 -7.9539 PRESSURE: 2316000 -96.1735 -124.799 110.596 -124.799 -131.172 62.0481 110.595 62.0491 -354.541 GPRESSURE: 2316000 -5.05322 -115.301 163.097 -134.797 -133.757 154.683 217.219 55.5586 -355.497 PRESSAVG: 2316000 29.8274 -31.4896 -12.242 -31.4896 -7.89808 28.7539 -12.242 28.7539 -13.0011 GPRESSAVG: 2316000 29.5936 -32.3828 -11.5416 -31.9703 -7.94719 28.7242 -13.1025 26.7802 -12.9328 TIMING: 2316000 CPU: 7317.85, 0.00313532/step Wall: 7317.85, 0.00313532/step, 2.33756 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: 2316000 3998.7080 20510.5062 14443.5216 263.2012 -203029.6900 2632.8202 0.0000 0.0000 52139.4862 -109041.4466 299.6463 -161180.9328 -108669.3645 299.6819 -193.9623 -164.7691 763559.1245 2.9761 2.9045 PRESSURE: 2316200 -50.6924 142.229 -335.421 142.229 315.717 106.709 -335.421 106.709 -26.5375 GPRESSURE: 2316200 125.954 155.363 -350.634 33.2527 237.239 106.063 -215.858 76.032 -60.3462 PRESSAVG: 2316200 20.8487 -36.6425 43.7248 -36.6425 -43.6297 32.4992 43.7247 32.4991 17.1875 GPRESSAVG: 2316200 21.0346 -35.7138 43.8163 -36.0551 -44.0623 32.0497 45.6471 35.9656 17.4396 TIMING: 2316200 CPU: 7318.48, 0.0031342/step Wall: 7318.48, 0.0031342/step, 2.33655 hours remaining, 236.523438 MB of memory in use. ENERGY: 2316200 3994.5448 20804.0171 14446.0475 269.3234 -203434.1220 2709.3399 0.0000 0.0000 52144.9100 -109065.9394 299.6775 -161210.8494 -108705.7190 299.3650 79.4957 100.9488 762295.1176 -1.8645 -1.8627 LDB: ============= START OF LOAD BALANCING ============== 7331.01 LDB: ============== END OF LOAD BALANCING =============== 7331.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7331.01 LDB: ============= START OF LOAD BALANCING ============== 7331.33 LDB: Largest compute 7068 load 0.030441 is 15.6% of average load 0.195400 LDB: Average compute 0.004390 is 2.2% of average load 0.195400 LDB: TIME 7331.33 LOAD: AVG 0.1954 MAX 0.213321 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 7331.33 LOAD: AVG 0.1954 MAX 0.213321 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 7331.33 LOAD: AVG 0.1954 MAX 0.213321 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 7331.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7331.34 PRESSURE: 2316400 148.745 116.641 251.581 116.642 126.671 191.318 251.581 191.318 -427.534 GPRESSURE: 2316400 119.443 -33.7903 193.698 139.353 188.924 162.733 242.972 166.495 -355.48 PRESSAVG: 2316400 25.0029 2.05863 14.6541 2.05866 5.15774 39.3833 14.6541 39.3833 -15.1508 GPRESSAVG: 2316400 25.3958 2.62785 15.2273 2.39814 5.25241 39.9623 12.2433 38.2565 -15.4591 TIMING: 2316400 CPU: 7319.12, 0.00321108/step Wall: 7319.12, 0.00321108/step, 2.39368 hours remaining, 234.937500 MB of memory in use. ENERGY: 2316400 4108.2529 20474.8405 14458.9361 236.1296 -203193.7128 2674.9349 0.0000 0.0000 52137.1667 -109103.4520 299.6330 -161240.6187 -108742.1390 299.7281 -50.7058 -15.7046 762329.8378 5.0033 5.0630 PRESSURE: 2316600 -99.7589 -12.1668 -82.683 -12.1669 111.394 -191.776 -82.6838 -191.776 -150.715 GPRESSURE: 2316600 -68.0036 -10.4825 57.4355 -106.699 70.3633 -219.492 -128.986 -172.43 -72.1555 PRESSAVG: 2316600 -1.614 -19.3079 -13.1384 -19.3079 -32.529 26.0707 -13.1383 26.0707 -7.4253 GPRESSAVG: 2316600 -0.89031 -20.3842 -13.6132 -18.0521 -33.2023 24.1796 -11.1238 28.853 -7.21125 TIMING: 2316600 CPU: 7319.75, 0.00315587/step Wall: 7319.75, 0.00315587/step, 2.35235 hours remaining, 234.937500 MB of memory in use. ENERGY: 2316600 3997.0866 20655.3404 14451.3040 264.2841 -203331.2611 2749.0586 0.0000 0.0000 52047.9635 -109166.2239 299.1204 -161214.1874 -108811.3313 299.3551 -46.3601 -23.2652 763894.9520 -13.8561 -13.7680 PRESSURE: 2316800 168.386 67.9061 -27.4527 67.9064 -78.4276 186.54 -27.453 186.54 91.7293 GPRESSURE: 2316800 185.574 -13.6509 -59.5309 78.0406 -47.6599 113.264 -71.7177 147.435 123.068 PRESSAVG: 2316800 -10.3434 -29.6896 -32.3523 -29.6897 -13.8336 56.8661 -32.3523 56.8661 -6.95282 GPRESSAVG: 2316800 -10.0407 -30.4533 -32.1313 -30.2938 -14.5182 58.4588 -31.5369 51.4125 -6.69996 TIMING: 2316800 CPU: 7320.38, 0.00314406/step Wall: 7320.38, 0.00314406/step, 2.34337 hours remaining, 234.937500 MB of memory in use. ENERGY: 2316800 4048.2160 20457.3717 14467.9989 241.9212 -203456.7581 2876.4340 0.0000 0.0000 52271.7889 -109093.0274 300.4067 -161364.8163 -108729.1024 299.9981 60.5627 86.9940 762292.2181 -10.3766 -10.4196 PRESSURE: 2317000 -91.8598 -73.8963 -294.958 -73.8963 -184.803 -99.0354 -294.959 -99.0364 384.755 GPRESSURE: 2317000 -65.9202 51.4502 -226.64 -76.0431 -78.1178 -101.632 -292.178 -66.1972 339.143 PRESSAVG: 2317000 56.5854 -13.7999 1.0601 -13.7999 -53.8793 3.14002 1.06015 3.14003 21.9053 GPRESSAVG: 2317000 56.4322 -13.2025 1.39818 -13.289 -53.7274 2.01113 -1.40542 5.28568 21.687 TIMING: 2317000 CPU: 7321.01, 0.00314719/step Wall: 7321.01, 0.00314719/step, 2.34553 hours remaining, 234.937500 MB of memory in use. ENERGY: 2317000 3983.7198 20517.9013 14449.2993 239.6597 -203571.1682 2926.6479 0.0000 0.0000 52220.4694 -109233.4709 300.1118 -161453.9403 -108858.8285 299.4464 36.0306 65.0349 763063.9798 8.2038 8.1306 PRESSURE: 2317200 374.642 103.646 -264.9 103.647 115.462 -32.0146 -264.9 -32.0149 -339.441 GPRESSURE: 2317200 311.916 38.8248 -175.299 60.741 178.864 -2.81439 -310.491 -68.5037 -261.792 PRESSAVG: 2317200 5.54771 23.62 -24.9234 23.62 32.8892 -9.00377 -24.9234 -9.00374 -1.99561 GPRESSAVG: 2317200 3.57299 25.6465 -25.2895 21.6908 34.0354 -8.94084 -25.8184 -7.57797 -1.61929 TIMING: 2317200 CPU: 7321.64, 0.00315252/step Wall: 7321.64, 0.00315252/step, 2.34933 hours remaining, 234.937500 MB of memory in use. ENERGY: 2317200 3971.0744 20494.0427 14440.0577 248.8496 -203302.9002 2748.6751 0.0000 0.0000 52068.1100 -109332.0908 299.2361 -161400.2008 -108973.1838 299.0012 50.2211 76.3293 761555.3567 12.1471 11.9964 PRESSURE: 2317400 -48.5596 -115.044 -130.685 -115.043 85.0226 -66.7211 -130.685 -66.7205 11.6961 GPRESSURE: 2317400 61.6232 -10.2276 -302.943 -16.9588 71.3384 -61.784 -65.625 -29.1558 -21.3382 PRESSAVG: 2317400 22.8248 14.7739 -52.6141 14.774 -14.924 12.206 -52.6141 12.206 1.80756 GPRESSAVG: 2317400 24.4857 12.4303 -53.1143 14.5408 -14.5806 12.8108 -51.9688 10.1663 -0.231061 TIMING: 2317400 CPU: 7322.28, 0.0031593/step Wall: 7322.28, 0.0031593/step, 2.35421 hours remaining, 234.937500 MB of memory in use. ENERGY: 2317400 4023.5511 20486.2292 14544.3726 278.3287 -203076.9408 2706.7858 0.0000 0.0000 52230.9240 -108806.7494 300.1718 -161037.6734 -108443.3425 299.6306 16.0531 37.2078 761456.7530 3.2361 3.2247 PRESSURE: 2317600 85.5004 -69.9337 82.5291 -69.9337 -390.006 39.4005 82.528 39.4009 -54.2481 GPRESSURE: 2317600 10.8082 -6.41628 92.8626 56.2623 -302.376 39.3272 -39.6877 59.2984 4.29843 PRESSAVG: 2317600 -18.9624 -30.228 45.9781 -30.2281 -12.6551 -39.5155 45.9781 -39.5155 -8.09927 GPRESSAVG: 2317600 -21.7459 -28.4783 45.0256 -28.2065 -11.8535 -38.6344 46.2535 -38.0456 -6.43699 TIMING: 2317600 CPU: 7322.91, 0.0031693/step Wall: 7322.91, 0.0031693/step, 2.36148 hours remaining, 234.937500 MB of memory in use. ENERGY: 2317600 3943.9352 20541.1036 14493.4364 245.8993 -202672.5847 2381.7770 0.0000 0.0000 52231.7688 -108834.6645 300.1767 -161066.4333 -108482.3105 299.8907 -119.5846 -95.7565 763251.7338 -13.2389 -13.3455 PRESSURE: 2317800 -186.718 114.623 204.689 114.623 136.241 -58.3477 204.69 -58.348 -199.262 GPRESSURE: 2317800 -80.7025 136.298 274.817 60.1777 123.841 -113.686 214.549 -66.9077 -204.852 PRESSAVG: 2317800 -5.13235 -37.0537 -9.52657 -37.0537 -29.4692 -73.8721 -9.52655 -73.872 -17.6674 GPRESSAVG: 2317800 -3.23364 -37.0578 -10.5486 -37.4508 -30.8441 -74.0912 -8.02627 -76.8484 -18.0672 TIMING: 2317800 CPU: 7323.55, 0.00318587/step Wall: 7323.55, 0.00318587/step, 2.37365 hours remaining, 234.937500 MB of memory in use. ENERGY: 2317800 3996.8161 20749.0423 14443.3432 253.2414 -203052.1619 2664.6212 0.0000 0.0000 52255.6236 -108689.4741 300.3138 -160945.0977 -108333.3343 300.5697 -83.2464 -53.9044 761314.7734 -17.4230 -17.3816 PRESSURE: 2318000 464.427 38.431 166.023 38.4302 -14.3926 -136.847 166.021 -136.847 82.137 GPRESSURE: 2318000 542.117 -48.0775 153.108 106.05 13.3553 -181.676 100.923 -197.268 38.5532 PRESSAVG: 2318000 31.8846 36.8592 17.3361 36.8592 21.3355 -33.4881 17.3361 -33.4881 -6.34314 GPRESSAVG: 2318000 31.3932 34.8176 19.4714 38.444 21.9553 -34.6557 16.4098 -31.4517 -6.41652 TIMING: 2318000 CPU: 7324.18, 0.00318407/step Wall: 7324.18, 0.00318407/step, 2.37213 hours remaining, 234.937500 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: 2318000 4022.5418 20667.4454 14443.9650 246.7837 -203512.7152 3102.5177 0.0000 0.0000 52311.8968 -108717.5648 300.6372 -161029.4616 -108353.3444 300.6664 177.3905 198.0084 760461.3540 15.6257 15.6440 PRESSURE: 2318200 102.908 -126.626 -224.637 -126.626 -413.89 161.198 -224.637 161.199 124.544 GPRESSURE: 2318200 167.844 -126.59 -175.651 -73.1049 -336.033 157.705 -106.162 71.5076 67.4094 PRESSAVG: 2318200 44.29 -60.9241 -43.0029 -60.9241 -75.0076 -36.8233 -43.0029 -36.8233 -5.99341 GPRESSAVG: 2318200 45.0095 -60.6221 -42.9436 -60.7607 -76.2121 -36.6004 -44.3901 -36.7459 -5.357 TIMING: 2318200 CPU: 7324.82, 0.00317004/step Wall: 7324.82, 0.00317004/step, 2.3615 hours remaining, 234.937500 MB of memory in use. ENERGY: 2318200 3930.8664 20579.7121 14516.9031 257.3401 -203217.2331 2661.5613 0.0000 0.0000 52420.6961 -108850.1539 301.2625 -161270.8500 -108474.2596 300.2012 -62.1457 -33.5931 761568.9038 -12.2370 -12.1865 PRESSURE: 2318400 360.798 51.1602 186.154 51.1598 401.038 -73.6352 186.155 -73.6353 -17.0122 GPRESSURE: 2318400 375.367 57.7198 202.415 35.437 368.753 -69.4613 130.884 -55.4267 59.7858 PRESSAVG: 2318400 12.3122 18.8931 -19.878 18.893 -7.43696 -7.61293 -19.878 -7.61297 25.4946 GPRESSAVG: 2318400 12.3323 20.0945 -18.835 17.4411 -6.69951 -8.1903 -18.703 -6.34402 24.8176 TIMING: 2318400 CPU: 7325.45, 0.00317785/step Wall: 7325.45, 0.00317785/step, 2.36715 hours remaining, 234.937500 MB of memory in use. ENERGY: 2318400 3968.3248 20658.6787 14454.2704 258.3742 -203286.0356 2780.1688 0.0000 0.0000 52199.1879 -108967.0309 299.9895 -161166.2188 -108603.0120 299.7630 248.2745 267.9685 761463.9595 10.1233 10.1501 PRESSURE: 2318600 403.061 34.1711 104.145 34.1722 81.4067 -125.776 104.145 -125.777 -169.539 GPRESSURE: 2318600 398.28 52.5835 33.6499 -106.788 150.303 -90.3749 95.898 -170.934 -149.682 PRESSAVG: 2318600 -56.6887 1.52407 -25.0543 1.52399 24.5456 9.64233 -25.0543 9.64225 3.04946 GPRESSAVG: 2318600 -57.3169 -0.867492 -26.4615 0.13699 24.7044 8.73984 -24.7685 7.42619 3.27034 TIMING: 2318600 CPU: 7326.08, 0.00315241/step Wall: 7326.08, 0.00315241/step, 2.34802 hours remaining, 234.937500 MB of memory in use. ENERGY: 2318600 4037.5617 20436.7009 14495.4732 239.4815 -203372.9546 2901.5350 0.0000 0.0000 52339.4942 -108922.7081 300.7958 -161262.2023 -108560.2961 299.9607 104.9762 132.9672 761617.4471 -9.6979 -9.7807 PRESSURE: 2318800 -155.86 -92.1186 193.277 -92.1184 32.7319 -42.2578 193.276 -42.2584 -17.0701 GPRESSURE: 2318800 -191.831 -55.5933 263.422 -150.191 77.5451 -99.3011 267.702 -76.831 52.1363 PRESSAVG: 2318800 -35.5866 -7.20826 -23.0879 -7.20819 20.1948 4.3783 -23.088 4.37834 -1.06241 GPRESSAVG: 2318800 -36.4155 -4.95826 -23.0286 -7.42477 19.0783 5.36768 -23.6729 5.48762 0.423942 TIMING: 2318800 CPU: 7326.71, 0.00314371/step Wall: 7326.71, 0.00314371/step, 2.34137 hours remaining, 234.937500 MB of memory in use. ENERGY: 2318800 3959.8883 20635.6237 14479.9385 248.8377 -203201.3057 2774.1357 0.0000 0.0000 52112.3126 -108990.5691 299.4902 -161102.8816 -108626.3987 299.7524 -46.7326 -20.7165 762432.7234 -5.4847 -5.6378 PRESSURE: 2319000 -225.387 -60.9229 -244.359 -60.9226 -324.114 -134.558 -244.36 -134.559 165.578 GPRESSURE: 2319000 -124.747 -82.1666 -291.128 -92.0815 -222.735 -99.1269 -147.824 -163.437 48.7542 PRESSAVG: 2319000 16.171 -0.712578 -3.29795 -0.712599 -40.6859 -51.6321 -3.29796 -51.632 1.92436 GPRESSAVG: 2319000 15.8351 -0.333016 -4.43571 -0.0617235 -39.7198 -50.8905 -2.35604 -51.6322 0.89629 TIMING: 2319000 CPU: 7327.34, 0.00315876/step Wall: 7327.34, 0.00315876/step, 2.3524 hours remaining, 234.937500 MB of memory in use. ENERGY: 2319000 3947.8779 20551.2994 14473.9770 225.7639 -203054.0879 2594.2307 0.0000 0.0000 52255.0529 -109005.8861 300.3105 -161260.9390 -108640.3847 300.1308 -127.9739 -99.5759 761224.0852 -7.5302 -7.6628 PRESSURE: 2319200 265.207 -105.758 -285.947 -105.759 499.476 82.8757 -285.947 82.8751 149.209 GPRESSURE: 2319200 275.907 -15.1079 -216.834 -25.1376 472.447 57.6555 -205.909 15.1145 213.708 PRESSAVG: 2319200 41.1882 -16.8144 -30.8501 -16.8144 -42.0476 -68.3038 -30.8501 -68.3039 -1.15703 GPRESSAVG: 2319200 41.4813 -16.3452 -29.1177 -17.688 -43.4449 -68.7735 -30.9928 -68.61 0.212699 TIMING: 2319200 CPU: 7327.97, 0.00314141/step Wall: 7327.97, 0.00314141/step, 2.33931 hours remaining, 234.937500 MB of memory in use. ENERGY: 2319200 3951.4175 20594.0967 14392.0715 238.9819 -203228.2833 2872.3236 0.0000 0.0000 52110.5826 -109068.8095 299.4802 -161179.3921 -108706.4373 299.4810 304.6308 320.6874 760507.7939 -0.6721 -0.5837 PRESSURE: 2319400 137.423 -154.593 -86.3551 -154.592 229.004 -169.305 -86.3545 -169.304 521.345 GPRESSURE: 2319400 100.854 -100.214 -120.587 -117.116 352.516 -140.855 5.77826 -126.369 522.182 PRESSAVG: 2319400 -35.5884 7.98154 15.9432 7.98157 53.4672 -25.4127 15.9433 -25.4127 -1.90974 GPRESSAVG: 2319400 -34.9508 10.4025 15.8694 7.89193 54.5166 -25.926 14.8889 -25.7132 -3.21981 TIMING: 2319400 CPU: 7328.6, 0.0031365/step Wall: 7328.6, 0.0031365/step, 2.33547 hours remaining, 234.937500 MB of memory in use. ENERGY: 2319400 3959.4087 20528.0091 14468.6889 227.8115 -203169.4179 2859.6761 0.0000 0.0000 52046.6573 -109079.1664 299.1129 -161125.8237 -108723.2318 300.0133 295.9240 325.1842 762896.4396 5.3230 5.4487 PRESSURE: 2319600 -54.7555 -18.6892 231.983 -18.6898 -295.568 197.24 231.983 197.24 -223.549 GPRESSURE: 2319600 -133.202 -63.7856 143.666 -3.51722 -202.714 177.051 151.816 20.4445 -148.983 PRESSAVG: 2319600 -67.6741 31.8892 -39.8339 31.8893 50.6932 0.413898 -39.834 0.41378 37.3504 GPRESSAVG: 2319600 -69.2666 28.2419 -39.169 32.6613 52.7882 0.508357 -41.2852 2.65895 37.5629 TIMING: 2319600 CPU: 7329.23, 0.0031444/step Wall: 7329.23, 0.0031444/step, 2.34118 hours remaining, 234.937500 MB of memory in use. ENERGY: 2319600 4018.7022 20370.4065 14436.1875 239.5439 -202904.8740 2722.5191 0.0000 0.0000 52188.3003 -108929.2145 299.9269 -161117.5148 -108557.3325 299.4402 -191.2910 -161.6331 764523.3032 6.7898 7.0282 PRESSURE: 2319800 258.607 -69.573 -98.0773 -69.5728 -80.5034 149.206 -98.0771 149.206 -189.161 GPRESSURE: 2319800 289.335 -26.9219 -92.8661 -125.309 -18.9946 147.086 -48.0477 152.766 -183.942 PRESSAVG: 2319800 -10.9169 -32.2656 -30.4678 -32.2657 35.1199 -33.0339 -30.4678 -33.0338 -7.18181 GPRESSAVG: 2319800 -8.66149 -31.0462 -30.7226 -35.2565 32.9722 -32.7224 -29.4272 -33.693 -6.95348 TIMING: 2319800 CPU: 7329.86, 0.00315013/step Wall: 7329.86, 0.00315013/step, 2.34527 hours remaining, 234.937500 MB of memory in use. ENERGY: 2319800 3988.5622 20623.4481 14412.2869 249.0447 -203267.2482 2963.3742 0.0000 0.0000 52440.9465 -108589.5855 301.3788 -161030.5320 -108221.5297 299.9377 -3.6858 28.7995 762524.6477 5.6737 5.7857 PRESSURE: 2320000 -69.9415 -1.61876 54.514 -1.61819 -104.213 27.6065 54.5141 27.6063 43.5067 GPRESSURE: 2320000 -19.1418 31.2697 2.4171 23.4838 -101.433 47.6433 106.359 -44.6752 67.9567 PRESSAVG: 2320000 -22.8491 -32.9961 -13.5727 -32.996 18.2936 -50.3458 -13.5727 -50.3458 -9.40002 GPRESSAVG: 2320000 -22.4682 -33.0879 -15.5276 -30.7545 17.3578 -50.3137 -12.4026 -52.2194 -8.93951 TIMING: 2320000 CPU: 7330.49, 0.00315074/step Wall: 7330.49, 0.00315074/step, 2.34555 hours remaining, 234.937500 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: 2320000 4075.5435 20564.3535 14390.5356 239.7106 -202749.4683 2677.6488 0.0000 0.0000 52364.5559 -108437.1204 300.9398 -160801.6763 -108072.7487 301.0045 -43.5493 -17.5393 762328.9696 -4.6518 -4.6833 PRESSURE: 2320200 212.944 63.7722 -94.5975 63.7726 98.2722 -34.3529 -94.597 -34.3532 193.933 GPRESSURE: 2320200 250.503 121.026 -113.195 -21.614 206.702 -16.8306 -113.37 -195.038 149.842 PRESSAVG: 2320200 33.5345 -3.97735 26.4951 -3.9773 -35.8177 -53.1543 26.4951 -53.1543 3.89028 GPRESSAVG: 2320200 33.4986 -7.07297 28.2755 -3.09991 -35.6598 -52.6822 25.5514 -53.4471 3.30557 TIMING: 2320200 CPU: 7331.12, 0.00316164/step Wall: 7331.12, 0.00316164/step, 2.35349 hours remaining, 234.937500 MB of memory in use. ENERGY: 2320200 4025.5551 20504.3000 14472.1607 251.1163 -203531.0584 3262.5858 0.0000 0.0000 52417.1842 -108598.1564 301.2423 -161015.3406 -108233.9160 300.6921 168.3828 202.3488 761624.8827 0.5357 0.3814 LDB: ============= START OF LOAD BALANCING ============== 7343.65 LDB: ============== END OF LOAD BALANCING =============== 7343.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7343.65 LDB: ============= START OF LOAD BALANCING ============== 7343.97 LDB: Largest compute 7054 load 0.031388 is 16.1% of average load 0.195478 LDB: Average compute 0.004378 is 2.2% of average load 0.195478 LDB: TIME 7343.97 LOAD: AVG 0.195478 MAX 0.216329 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.25 MB LDB: TIME 7343.97 LOAD: AVG 0.195478 MAX 0.216329 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: TIME 7343.97 LOAD: AVG 0.195478 MAX 0.216329 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: ============== END OF LOAD BALANCING =============== 7343.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7343.98 PRESSURE: 2320400 111.018 -10.0317 122.56 -10.032 412.535 55.5205 122.561 55.5206 24.8851 GPRESSURE: 2320400 125.122 39.4667 22.8738 47.3112 493.455 -46.9552 57.5003 272.999 23.7023 PRESSAVG: 2320400 -67.5987 -6.20889 -9.69318 -6.2089 83.0209 8.94364 -9.69327 8.94366 11.8154 GPRESSAVG: 2320400 -68.1533 -3.19597 -11.1033 -4.15696 84.9286 7.28084 -9.62181 10.008 10.8155 TIMING: 2320400 CPU: 7331.76, 0.00321451/step Wall: 7331.76, 0.00321451/step, 2.39266 hours remaining, 235.835938 MB of memory in use. ENERGY: 2320400 4088.6577 20534.8276 14457.2139 241.9963 -203096.4942 2805.2121 0.0000 0.0000 52305.9542 -108662.6324 300.6030 -160968.5866 -108293.4437 300.3273 182.8125 214.0931 762142.7559 9.0792 9.1969 PRESSURE: 2320600 -404.035 105.486 37.8855 105.485 -260.672 -4.50004 37.886 -4.50045 64.1148 GPRESSURE: 2320600 -397.132 123.627 -79.4569 -48.4509 -205.256 -34.9871 -21.8094 58.0793 73.4732 PRESSAVG: 2320600 -80.3448 -15.0828 -0.634334 -15.0829 55.8425 19.2762 -0.63434 19.2762 -14.9297 GPRESSAVG: 2320600 -80.8034 -14.7047 0.132323 -16.878 55.2335 19.7529 -1.25709 19.2058 -14.3792 TIMING: 2320600 CPU: 7332.39, 0.00314345/step Wall: 7332.39, 0.00314345/step, 2.3396 hours remaining, 235.835938 MB of memory in use. ENERGY: 2320600 4039.9947 20636.3310 14408.3017 246.7091 -203088.5837 2631.3437 0.0000 0.0000 52707.8488 -108418.0547 302.9127 -161125.9035 -108049.6479 300.8569 -200.1977 -176.3048 764148.1878 -13.1440 -13.3164 PRESSURE: 2320800 -43.6595 81.0959 148.004 81.0961 -64.294 3.11784 148.004 3.11678 -10.111 GPRESSURE: 2320800 98.5467 59.1977 167.073 97.8892 -142.42 1.31892 249.141 101.671 11.6318 PRESSAVG: 2320800 3.31722 2.15364 18.9416 2.15364 4.09529 28.438 18.9416 28.438 37.9649 GPRESSAVG: 2320800 3.58787 2.3506 19.6892 0.497932 3.49464 31.6078 20.5807 28.1567 38.5046 TIMING: 2320800 CPU: 7333.02, 0.00314392/step Wall: 7333.02, 0.00314392/step, 2.33977 hours remaining, 235.835938 MB of memory in use. ENERGY: 2320800 4028.1582 20706.0336 14438.5472 260.7447 -202899.0257 2471.1909 0.0000 0.0000 52545.1708 -108449.1803 301.9778 -160994.3512 -108083.9363 300.9084 -39.3548 -10.7471 763437.2170 15.1258 15.1957 PRESSURE: 2321000 -7.56754 -39.3646 -41.5438 -39.3643 264.775 -196.618 -41.5444 -196.618 65.5797 GPRESSURE: 2321000 63.116 -77.9994 -79.1667 1.27593 267.938 -163.094 -24.3755 -373.426 63.6072 PRESSAVG: 2321000 8.44297 -31.7779 -2.87846 -31.7779 -27.447 1.46585 -2.87852 1.46595 20.379 GPRESSAVG: 2321000 9.07468 -31.089 -4.48545 -29.6125 -28.0782 -1.09583 -4.69415 0.43679 20.2709 TIMING: 2321000 CPU: 7333.65, 0.00315776/step Wall: 7333.65, 0.00315776/step, 2.3499 hours remaining, 235.835938 MB of memory in use. ENERGY: 2321000 3990.6425 20703.3746 14549.6473 246.7333 -203195.9067 2771.6342 0.0000 0.0000 52305.5918 -108628.2830 300.6010 -160933.8748 -108262.4107 300.7920 107.5958 131.5539 762540.8757 0.4583 0.4225 PRESSURE: 2321200 -41.6526 -71.8395 58.7995 -71.8392 0.153187 -16.3583 58.7997 -16.3577 52.9585 GPRESSURE: 2321200 -30.4301 -84.1853 114.539 -69.1724 43.4801 -31.3035 189.295 -25.1709 87.2485 PRESSAVG: 2321200 9.66141 -44.9929 7.91767 -44.9929 -44.8606 -19.1666 7.91765 -19.1665 12.8614 GPRESSAVG: 2321200 8.20416 -44.984 8.47745 -45.9384 -44.384 -19.0309 10.3543 -18.866 13.8198 TIMING: 2321200 CPU: 7334.28, 0.00315178/step Wall: 7334.28, 0.00315178/step, 2.34527 hours remaining, 235.835938 MB of memory in use. ENERGY: 2321200 4055.8938 20576.3607 14401.1370 255.4998 -203042.8879 2569.0216 0.0000 0.0000 52350.1649 -108834.8101 300.8571 -161184.9750 -108462.7639 300.4693 3.8197 33.4329 762933.8611 -7.4459 -7.4533 PRESSURE: 2321400 -128.446 -174.459 17.9605 -174.459 -265.349 -86.0704 17.9597 -86.0702 -172.775 GPRESSURE: 2321400 -165.83 -144.309 24.5175 -164.742 -215.376 -94.1651 59.8835 -135.323 -95.8693 PRESSAVG: 2321400 -15.0188 -3.07254 -3.71373 -3.07254 -28.3362 -11.6384 -3.71371 -11.6384 0.686835 GPRESSAVG: 2321400 -13.8605 -3.78489 -3.0035 -2.15711 -28.4197 -12.0422 -5.51079 -9.8774 -0.359965 TIMING: 2321400 CPU: 7334.91, 0.00314602/step Wall: 7334.91, 0.00314602/step, 2.34081 hours remaining, 235.835938 MB of memory in use. ENERGY: 2321400 4061.5703 20636.4815 14411.1740 257.9864 -203159.8019 2683.8880 0.0000 0.0000 52050.8420 -109057.8596 299.1369 -161108.7016 -108692.3619 300.0772 -188.8564 -159.0250 762015.8863 -14.2227 -14.2134 PRESSURE: 2321600 39.9818 166.586 82.6637 166.587 8.79225 -147.645 82.6636 -147.645 456.712 GPRESSURE: 2321600 118.882 21.6209 193.271 141.562 -12.3591 -111.045 -7.46244 -175.365 491.492 PRESSAVG: 2321600 -7.29215 15.9579 25.638 15.958 78.0135 9.04033 25.6379 9.04024 2.3755 GPRESSAVG: 2321600 -6.85774 17.6665 26.6638 16.6184 76.4578 9.51887 24.713 9.38156 3.72272 TIMING: 2321600 CPU: 7335.54, 0.00315137/step Wall: 7335.54, 0.00315137/step, 2.34462 hours remaining, 235.835938 MB of memory in use. ENERGY: 2321600 3998.0221 20613.1037 14414.8353 242.4582 -203304.9260 2734.5376 0.0000 0.0000 52006.7465 -109295.2226 298.8835 -161301.9691 -108934.0322 299.2067 168.4953 199.3385 762044.1812 24.3656 24.4409 PRESSURE: 2321800 -120.871 147.73 -204.494 147.729 29.9792 -133.322 -204.493 -133.321 -133.625 GPRESSURE: 2321800 -59.4954 89.2516 -172.811 164.841 65.0407 -123.186 -33.878 -152.796 -128.735 PRESSAVG: 2321800 -11.8573 -2.05874 30.0668 -2.05873 -17.1472 -24.9841 30.0668 -24.9841 -10.4786 GPRESSAVG: 2321800 -12.9765 -4.00728 29.1399 -3.55774 -15.4964 -26.0899 31.5414 -24.9345 -10.7023 TIMING: 2321800 CPU: 7336.17, 0.00314656/step Wall: 7336.17, 0.00314656/step, 2.34086 hours remaining, 235.835938 MB of memory in use. ENERGY: 2321800 4032.0267 20461.8407 14446.2467 249.0763 -203158.3643 2672.9948 0.0000 0.0000 52152.5863 -109143.5927 299.7216 -161296.1790 -108782.6143 299.6015 -74.8389 -41.0633 762486.4225 -13.1610 -13.0584 PRESSURE: 2322000 -357.821 13.0918 123.856 13.0917 -232.92 33.0454 123.856 33.0446 -233.15 GPRESSURE: 2322000 -246.534 54.7515 142.083 51.1761 -201.199 75.4827 103.555 32.9036 -290.107 PRESSAVG: 2322000 21.3976 21.4534 6.51654 21.4534 0.679106 -34.2839 6.51658 -34.2838 -10.8735 GPRESSAVG: 2322000 24.0219 20.0378 7.97042 22.0666 -0.0767107 -33.5847 3.38281 -35.9748 -12.493 TIMING: 2322000 CPU: 7336.8, 0.0031543/step Wall: 7336.8, 0.00315429/step, 2.34644 hours remaining, 235.835938 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: 2322000 3981.1046 20449.0583 14424.7519 242.2796 -202884.8428 2326.1655 0.0000 0.0000 52299.4181 -109162.0648 300.5655 -161461.4829 -108800.4565 299.4889 -274.6300 -245.9470 762931.3770 3.7344 3.8174 PRESSURE: 2322200 -406.384 -25.3744 167.144 -25.3737 -195.109 -88.3669 167.144 -88.3671 -103.482 GPRESSURE: 2322200 -415.521 -11.2491 56.9485 37.3632 -103.425 -115.236 163.24 -220.259 -108.11 PRESSAVG: 2322200 19.2208 -8.79465 32.2682 -8.79457 -42.3593 1.10292 32.2681 1.10289 -9.92746 GPRESSAVG: 2322200 18.1781 -5.48241 30.6496 -9.93929 -41.9176 -0.226928 33.1389 1.00884 -8.94436 TIMING: 2322200 CPU: 7337.43, 0.00314641/step Wall: 7337.43, 0.00314641/step, 2.34041 hours remaining, 235.835938 MB of memory in use. ENERGY: 2322200 4007.0698 20556.7215 14369.6488 243.0321 -202798.9424 2414.8217 0.0000 0.0000 52054.7612 -109152.8873 299.1594 -161207.6485 -108800.4139 299.6149 -234.9917 -209.0184 763895.9637 -11.0220 -10.8946 PRESSURE: 2322400 373.007 -0.19422 119.949 -0.193996 -54.2906 115.686 119.949 115.686 38.3906 GPRESSURE: 2322400 272.341 -34.1865 253.49 39.2666 43.6678 129.288 137.198 251.039 132.727 PRESSAVG: 2322400 36.3483 -25.1074 -20.2834 -25.1075 9.53233 95.6895 -20.2835 95.6894 25.8139 GPRESSAVG: 2322400 35.5947 -26.7912 -20.5523 -23.3222 9.19391 97.2165 -18.2332 97.1301 26.4391 TIMING: 2322400 CPU: 7338.07, 0.00318346/step Wall: 7338.07, 0.00318346/step, 2.36779 hours remaining, 235.835938 MB of memory in use. ENERGY: 2322400 3953.4958 20474.6232 14455.9713 252.6976 -203329.2877 2816.9552 0.0000 0.0000 52254.7342 -109120.8104 300.3087 -161375.5446 -108752.3556 299.5508 119.0356 149.5786 762213.3908 23.8981 23.7426 PRESSURE: 2322600 -131.804 85.6222 -175.468 85.6228 -197.835 71.3335 -175.469 71.3325 -211.321 GPRESSURE: 2322600 -25.5036 73.2865 -161.007 59.3423 -161.898 -1.56054 -207.286 -55.628 -260.631 PRESSAVG: 2322600 51.7621 39.3977 35.726 39.3977 -63.5067 3.67124 35.726 3.6712 1.7865 GPRESSAVG: 2322600 51.835 39.4152 35.957 36.3402 -62.2287 2.30033 34.7817 4.53352 -0.205992 TIMING: 2322600 CPU: 7338.7, 0.00315748/step Wall: 7338.7, 0.00315748/step, 2.34829 hours remaining, 235.906250 MB of memory in use. ENERGY: 2322600 4037.9144 20532.5193 14385.4423 255.3203 -202471.3725 2470.9898 0.0000 0.0000 51838.0197 -108951.1667 297.9138 -160789.1864 -108594.2801 299.6286 -180.3201 -149.3440 764784.3301 -3.3193 -3.5332 PRESSURE: 2322800 -135.86 18.5415 191.081 18.5417 363.077 -93.6248 191.081 -93.6256 70.4615 GPRESSURE: 2322800 -75.3671 114.619 195.629 13.2124 383.188 -122.317 23.448 -42.6516 74.3129 PRESSAVG: 2322800 35.9719 22.947 10.0526 22.947 -4.15911 24.7531 10.0526 24.7532 2.80955 GPRESSAVG: 2322800 35.8361 23.3145 11.0082 24.3092 -5.44426 26.8887 10.3813 22.7732 3.62481 TIMING: 2322800 CPU: 7339.33, 0.00315979/step Wall: 7339.33, 0.00315979/step, 2.34983 hours remaining, 235.906250 MB of memory in use. ENERGY: 2322800 3907.7071 20672.3835 14386.9827 247.2970 -203283.4967 3167.5003 0.0000 0.0000 51916.3973 -108985.2288 298.3642 -160901.6261 -108633.3110 299.4008 99.2262 127.3778 763221.2890 11.5408 11.3389 PRESSURE: 2323000 -179.642 -182.445 221.649 -182.446 120.01 118.88 221.651 118.881 238.713 GPRESSURE: 2323000 -120.261 -116.088 24.7913 -52.0952 104.396 81.9305 291.291 200.166 281.456 PRESSAVG: 2323000 -1.94054 -34.5557 19.2082 -34.5558 -12.1803 42.9071 19.2082 42.9071 12.4182 GPRESSAVG: 2323000 -2.33995 -31.138 17.3167 -34.0338 -12.14 41.5959 19.0109 42.7986 13.0154 TIMING: 2323000 CPU: 7339.96, 0.00316154/step Wall: 7339.96, 0.00316154/step, 2.35096 hours remaining, 235.906250 MB of memory in use. ENERGY: 2323000 3937.7529 20722.1947 14390.9415 262.4970 -203238.4485 2894.3800 0.0000 0.0000 52421.4434 -108609.2388 301.2668 -161030.6822 -108233.8276 299.8169 59.6933 88.5305 762837.3447 -0.5675 -0.4882 PRESSURE: 2323200 -142.552 86.6559 129.15 86.6555 -452.345 184.117 129.15 184.117 -26.4058 GPRESSURE: 2323200 -101.965 73.1297 117.956 84.2882 -337.505 181.304 111.979 183.972 -85.2218 PRESSAVG: 2323200 -8.59329 22.0151 52.1356 22.0151 -15.8739 2.50703 52.1355 2.50699 24.2793 GPRESSAVG: 2323200 -8.04915 18.1598 55.3579 23.7203 -15.674 2.22071 49.9782 4.40565 23.5923 TIMING: 2323200 CPU: 7340.59, 0.00313793/step Wall: 7340.59, 0.00313793/step, 2.33322 hours remaining, 235.906250 MB of memory in use. ENERGY: 2323200 4024.3834 20716.5454 14417.5097 259.7994 -202773.8355 2695.6640 0.0000 0.0000 52026.1911 -108633.7425 298.9952 -160659.9336 -108277.3308 300.3626 -207.1011 -174.8972 763834.0094 -0.0627 -0.0436 PRESSURE: 2323400 -450.546 -179.473 -57.4354 -179.473 -312.701 -12.5189 -57.4346 -12.5194 309.221 GPRESSURE: 2323400 -357.171 -186.589 -188.562 -210.72 -221.891 -22.3855 27.0233 -103.985 200.553 PRESSAVG: 2323400 40.3422 -57.2354 46.9497 -57.2353 -3.74109 -4.86253 46.9497 -4.86246 -11.4515 GPRESSAVG: 2323400 39.8091 -58.2071 46.0159 -57.2003 -3.13158 -3.22037 50.879 -6.25891 -10.9678 TIMING: 2323400 CPU: 7341.22, 0.00315045/step Wall: 7341.22, 0.00315045/step, 2.34236 hours remaining, 235.906250 MB of memory in use. ENERGY: 2323400 3990.0044 20625.3971 14421.5572 238.8418 -202689.3007 2474.3480 0.0000 0.0000 52328.1958 -108610.9564 300.7309 -160939.1522 -108236.2093 300.6975 -151.3420 -126.1695 763714.9809 8.3832 8.5699 PRESSURE: 2323600 176.444 -102.937 1.77838 -102.936 228.755 -82.7684 1.77817 -82.7686 -283.162 GPRESSURE: 2323600 198.56 40.454 62.3733 -53.893 242.578 -10.2976 -29.184 -262.524 -236.196 PRESSAVG: 2323600 12.3525 -25.2076 15.282 -25.2077 29.7956 22.7863 15.2821 22.7863 4.06333 GPRESSAVG: 2323600 13.1627 -23.1718 13.6538 -25.5559 30.3681 22.4283 14.5575 23.3486 2.54776 TIMING: 2323600 CPU: 7341.85, 0.00315114/step Wall: 7341.85, 0.00315114/step, 2.3427 hours remaining, 235.906250 MB of memory in use. ENERGY: 2323600 3945.5969 20589.5337 14450.6532 268.8986 -203366.2527 2772.5286 0.0000 0.0000 52397.1227 -108941.9189 301.1270 -161339.0417 -108561.7172 300.2963 40.6788 68.3140 761404.6923 15.4038 15.3595 PRESSURE: 2323800 -315.63 24.6002 76.3714 24.6014 -350.258 -73.5087 76.3713 -73.5098 28.2774 GPRESSURE: 2323800 -232.32 31.3396 197.949 -25.1336 -325.57 -66.4499 84.6667 -119.058 -5.86503 PRESSAVG: 2323800 20.998 3.3828 25.5827 3.38285 -42.7894 82.7473 25.5827 82.7473 -10.9353 GPRESSAVG: 2323800 20.7469 2.89638 26.6789 2.2306 -43.8347 80.718 24.7845 82.9586 -9.68589 TIMING: 2323800 CPU: 7342.48, 0.00314164/step Wall: 7342.48, 0.00314164/step, 2.33546 hours remaining, 235.906250 MB of memory in use. ENERGY: 2323800 4107.0354 20523.6365 14488.8237 263.2267 -202554.6913 2322.7434 0.0000 0.0000 52157.3733 -108691.8523 299.7491 -160849.2256 -108320.9592 299.9027 -212.5367 -187.9184 763853.0455 -10.9089 -10.9246 PRESSURE: 2324000 54.1136 267.423 145.664 267.422 -44.7665 -5.35386 145.664 -5.35467 -57.159 GPRESSURE: 2324000 98.2978 220.273 116.263 276.844 -105.419 -2.73654 206.466 67.0767 19.2335 PRESSAVG: 2324000 -15.0678 -1.09755 10.1164 -1.0976 9.77555 65.9185 10.1164 65.9185 22.8503 GPRESSAVG: 2324000 -14.9464 -0.52773 9.08249 -1.14438 8.65786 68.8568 10.6008 64.8272 23.5135 TIMING: 2324000 CPU: 7343.11, 0.00315292/step Wall: 7343.11, 0.00315292/step, 2.34367 hours remaining, 235.894531 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: 2324000 4034.2402 20675.8178 14387.0180 243.7578 -203154.2827 2795.3834 0.0000 0.0000 52384.1761 -108633.8894 301.0526 -161018.0655 -108260.4701 300.7705 -15.9373 4.0374 760619.4420 5.8527 5.7417 PRESSURE: 2324200 297.305 -4.40443 256.17 -4.40432 -271.522 138.372 256.17 138.373 125.374 GPRESSURE: 2324200 323.816 14.0695 303.198 6.40085 -239.697 29.3413 330.252 224.464 142.589 PRESSAVG: 2324200 58.1808 -37.6608 9.25033 -37.6608 -41.3573 29.2529 9.25029 29.253 3.37116 GPRESSAVG: 2324200 57.1139 -35.0173 8.60264 -37.4386 -38.9218 27.7323 10.4519 30.3351 2.33439 TIMING: 2324200 CPU: 7343.74, 0.00315526/step Wall: 7343.74, 0.00315526/step, 2.34523 hours remaining, 235.894531 MB of memory in use. ENERGY: 2324200 3997.3827 20635.6914 14499.9344 244.7372 -202931.4238 2496.8840 0.0000 0.0000 52080.3366 -108976.4574 299.3064 -161056.7940 -108618.6566 300.3653 50.3857 75.5695 761783.2853 6.7315 6.8422 LDB: ============= START OF LOAD BALANCING ============== 7356.27 LDB: ============== END OF LOAD BALANCING =============== 7356.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7356.28 LDB: ============= START OF LOAD BALANCING ============== 7356.59 LDB: Largest compute 7054 load 0.031360 is 16.0% of average load 0.195504 LDB: Average compute 0.004375 is 2.2% of average load 0.195504 LDB: TIME 7356.59 LOAD: AVG 0.195504 MAX 0.213894 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.469 MB LDB: TIME 7356.6 LOAD: AVG 0.195504 MAX 0.213894 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.578 MB LDB: TIME 7356.6 LOAD: AVG 0.195504 MAX 0.213894 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.578 MB LDB: ============== END OF LOAD BALANCING =============== 7356.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7356.6 PRESSURE: 2324400 133.212 181.918 -178.787 181.918 -130.893 50.8594 -178.787 50.8604 278.869 GPRESSURE: 2324400 179.925 150.466 -147.81 162.439 -136.136 40.5357 -127.878 4.9491 340.057 PRESSAVG: 2324400 72.3501 -18.1061 -11.4835 -18.1061 -80.0562 40.6346 -11.4834 40.6346 2.84485 GPRESSAVG: 2324400 74.4438 -22.4367 -9.76366 -19.0728 -81.3455 42.1156 -12.309 38.8627 2.67116 TIMING: 2324400 CPU: 7344.39, 0.003216/step Wall: 7344.39, 0.003216/step, 2.3902 hours remaining, 235.394531 MB of memory in use. ENERGY: 2324400 3993.9798 20569.6966 14478.1405 239.9431 -203284.8696 2897.0683 0.0000 0.0000 52046.8841 -109059.1573 299.1142 -161106.0414 -108700.2388 299.6536 93.7291 127.9486 763224.2339 -1.6204 -1.4102 PRESSURE: 2324600 -261.242 -88.4598 120.95 -88.4593 -239.796 -29.6643 120.95 -29.6644 146.297 GPRESSURE: 2324600 -249.539 -182.951 175.621 -172.413 -90.6405 -49.6764 124.287 -56.1534 65.1086 PRESSAVG: 2324600 84.6565 20.366 46.6445 20.366 -75.2071 1.21866 46.6444 1.2188 10.3662 GPRESSAVG: 2324600 82.9663 20.5199 45.5474 21.1923 -73.7798 0.469889 44.8701 2.4109 11.2439 TIMING: 2324600 CPU: 7345.01, 0.00314384/step Wall: 7345.01, 0.00314384/step, 2.3364 hours remaining, 235.687500 MB of memory in use. ENERGY: 2324600 3985.8797 20462.6500 14469.5078 255.1474 -203217.8185 2625.5701 0.0000 0.0000 52389.2470 -109029.8166 301.0817 -161419.0636 -108655.9383 299.9291 -118.2469 -91.6901 762686.4355 6.6052 6.8101 PRESSURE: 2324800 -3.5472 15.5755 -100.955 15.5752 -172.711 -122.427 -100.955 -122.428 137.096 GPRESSURE: 2324800 -20.9326 79.4449 -117.334 118.495 -85.5991 -35.5452 -251.725 -90.8186 130.233 PRESSAVG: 2324800 56.1441 3.11177 49.5716 3.11178 -120.058 12.7647 49.5715 12.7648 -3.62921 GPRESSAVG: 2324800 56.2749 5.44175 49.4009 1.5397 -119.162 11.8775 49.5589 13.9744 -4.85578 TIMING: 2324800 CPU: 7345.65, 0.003158/step Wall: 7345.65, 0.003158/step, 2.34674 hours remaining, 235.687500 MB of memory in use. ENERGY: 2324800 3980.9524 20621.9740 14464.9644 232.8604 -202924.6655 2381.1435 0.0000 0.0000 52248.5457 -108994.2252 300.2731 -161242.7710 -108624.1100 299.4337 -13.0542 7.9004 763270.1281 -22.5142 -22.5808 PRESSURE: 2325000 203.986 -2.43838 16.6164 -2.43846 313.681 89.9254 16.6173 89.925 -27.1346 GPRESSURE: 2325000 226.152 103.428 34.534 -112.004 323.247 118.171 -40.8428 25.2456 15.6049 PRESSAVG: 2325000 54.5453 -6.04332 -43.2466 -6.04333 -59.041 22.7083 -43.2466 22.7083 1.11035 GPRESSAVG: 2325000 56.4584 -6.96313 -42.673 -2.68265 -60.3905 23.0407 -43.9616 22.2667 0.88502 TIMING: 2325000 CPU: 7346.28, 0.00316269/step Wall: 7346.28, 0.00316269/step, 2.35005 hours remaining, 235.687500 MB of memory in use. ENERGY: 2325000 3992.6633 20607.7607 14438.3519 266.1508 -203419.0294 2940.0200 0.0000 0.0000 52024.7747 -109149.3081 298.9871 -161174.0828 -108780.4869 300.0797 163.5107 188.3347 761904.1362 -1.1285 -1.0157 PRESSURE: 2325200 175.209 119.197 -45.1384 119.197 -140.385 326.915 -45.1384 326.915 -119.572 GPRESSURE: 2325200 137.479 82.2801 -34.6204 104.213 -44.88 325.905 8.77458 228.1 -103.214 PRESSAVG: 2325200 34.054 -9.07793 -31.2432 -9.07798 -57.6232 -5.0742 -31.2432 -5.07424 21.2413 GPRESSAVG: 2325200 32.2454 -8.28841 -29.7592 -9.93618 -56.4572 -5.96231 -29.624 -5.26923 22.2157 TIMING: 2325200 CPU: 7346.91, 0.00315655/step Wall: 7346.91, 0.00315655/step, 2.34532 hours remaining, 235.687500 MB of memory in use. ENERGY: 2325200 4023.7354 20723.6287 14460.7735 237.1224 -203295.8728 2704.0473 0.0000 0.0000 51980.7357 -109165.8298 298.7340 -161146.5655 -108798.9041 299.4834 -28.2494 -3.5383 763816.7137 -0.7760 -0.6654 PRESSURE: 2325400 -21.0178 28.0215 -96.8321 28.0212 -62.3216 214.907 -96.8323 214.908 435.335 GPRESSURE: 2325400 34.9453 -6.47879 -61.5875 18.8527 -21.5545 143.313 -161.178 200.588 409.783 PRESSAVG: 2325400 13.8363 -36.4842 13.1547 -36.4842 16.8849 33.0909 13.1547 33.0909 -5.29724 GPRESSAVG: 2325400 14.6641 -36.9941 11.0629 -38.4734 15.436 33.5635 12.9592 33.2464 -4.66579 TIMING: 2325400 CPU: 7347.55, 0.00319521/step Wall: 7347.55, 0.00319521/step, 2.37386 hours remaining, 235.687500 MB of memory in use. ENERGY: 2325400 3955.8259 20592.3795 14398.0127 245.8052 -203322.1173 2684.3048 0.0000 0.0000 52069.0500 -109376.7393 299.2415 -161445.7892 -109006.0136 299.1402 117.3319 141.0578 762386.7973 8.4747 8.4781 PRESSURE: 2325600 161.718 -77.9129 142.609 -77.9136 74.8578 -239.404 142.609 -239.403 222.157 GPRESSURE: 2325600 261.701 -121.859 167.06 -74.0155 75.6699 -245.808 154.039 -196.484 196.786 PRESSAVG: 2325600 -11.6465 16.2092 -1.6169 16.2092 -9.33595 -9.03472 -1.6169 -9.03477 -5.57445 GPRESSAVG: 2325600 -11.4807 16.8684 -2.4932 18.2151 -9.65739 -8.55061 -0.0826853 -9.59937 -5.38635 TIMING: 2325600 CPU: 7348.19, 0.00320961/step Wall: 7348.19, 0.00320961/step, 2.38438 hours remaining, 235.687500 MB of memory in use. ENERGY: 2325600 3912.0375 20626.6650 14453.1681 246.2478 -203191.1010 2636.7874 0.0000 0.0000 52025.2270 -109290.9683 298.9897 -161316.1953 -108934.7417 298.8990 152.9111 178.0523 762443.7846 -8.8523 -8.8415 PRESSURE: 2325800 -86.2518 -182.558 125.723 -182.557 -30.923 -73.3943 125.724 -73.3953 516.108 GPRESSURE: 2325800 -1.57175 -149.214 77.0276 -195.159 -40.1011 12.6321 116.426 -42.6432 525.295 PRESSAVG: 2325800 34.9453 -10.7731 -3.28477 -10.7731 -2.03239 9.9099 -3.28487 9.90993 18.034 GPRESSAVG: 2325800 36.0297 -10.6888 -3.90228 -11.3697 -2.93634 11.9967 -5.34344 7.86264 18.0949 TIMING: 2325800 CPU: 7348.82, 0.00315966/step Wall: 7348.82, 0.00315966/step, 2.3471 hours remaining, 235.675781 MB of memory in use. ENERGY: 2325800 3926.6939 20572.5021 14455.6514 248.0423 -203103.1849 2498.3654 0.0000 0.0000 51934.4689 -109467.4609 298.4681 -161401.9297 -109107.3907 298.8443 132.9776 161.2073 761791.5940 16.9823 17.0627 PRESSURE: 2326000 123.78 -65.4616 90.8924 -65.4616 177.781 -30.6466 90.8936 -30.6469 -171.294 GPRESSURE: 2326000 73.5647 7.43691 40.3915 -160.214 251.027 1.99704 45.794 -75.8198 -97.4793 PRESSAVG: 2326000 66.8892 -10.4059 17.6994 -10.406 -86.7888 -1.5639 17.6994 -1.56395 7.29796 GPRESSAVG: 2326000 64.9795 -8.19857 18.7603 -10.7737 -85.0639 -3.94027 18.6876 1.70111 6.86595 TIMING: 2326000 CPU: 7349.45, 0.00315303/step Wall: 7349.45, 0.00315303/step, 2.342 hours remaining, 235.675781 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: 2326000 3993.4122 20592.4126 14529.7442 271.4401 -203801.1089 2835.9034 0.0000 0.0000 52189.8247 -109388.3717 299.9356 -161578.1964 -109039.2556 299.0183 43.4226 75.7041 761526.6816 -4.2006 -4.4062 PRESSURE: 2326200 388.042 59.7611 -224.957 59.7612 615.442 -15.5808 -224.956 -15.5826 191.102 GPRESSURE: 2326200 498.797 -65.563 -156.124 96.516 585.047 51.5702 -163.923 -37.1713 212.672 PRESSAVG: 2326200 16.4211 -15.6004 55.3643 -15.6005 -19.8518 39.9532 55.3643 39.9531 -42.0175 GPRESSAVG: 2326200 17.1226 -17.6719 56.3328 -15.6943 -20.5419 40.8947 53.115 38.4185 -41.9779 TIMING: 2326200 CPU: 7350.09, 0.00316202/step Wall: 7350.09, 0.00316202/step, 2.3485 hours remaining, 235.675781 MB of memory in use. ENERGY: 2326200 3965.5896 20752.6219 14455.0059 247.2761 -204233.0134 3408.6035 0.0000 0.0000 52087.5995 -109316.3170 299.3482 -161403.9165 -108960.7933 299.6862 398.1953 432.1721 761795.9640 -15.1494 -15.1324 PRESSURE: 2326400 -333.712 49.3495 -42.3742 49.3501 175.147 109.782 -42.3748 109.783 -73.235 GPRESSURE: 2326400 -166.354 1.87078 -72.494 28.4827 156.86 79.3499 -149.278 174.933 -162.054 PRESSAVG: 2326400 -55.2602 34.2098 31.0278 34.2097 43.1386 45.8064 31.0278 45.8064 6.68222 GPRESSAVG: 2326400 -54.8856 33.0294 31.0496 36.7125 43.0475 44.6676 31.9746 48.0139 6.75542 TIMING: 2326400 CPU: 7350.72, 0.00315177/step Wall: 7350.72, 0.00315177/step, 2.34071 hours remaining, 235.687500 MB of memory in use. ENERGY: 2326400 3961.3058 20571.1830 14490.1828 230.8536 -203596.1115 2874.8394 0.0000 0.0000 51992.3773 -109475.3696 298.8009 -161467.7469 -109118.0674 299.3420 -77.2668 -57.1826 761595.0231 -1.8131 -1.6942 PRESSURE: 2326600 196.192 81.2463 123.327 81.2467 -330.047 -112.399 123.327 -112.401 172.464 GPRESSURE: 2326600 241.292 30.7914 75.0347 139.221 -253.999 -124.69 47.6776 54.3303 121.777 PRESSAVG: 2326600 25.911 21.3093 -7.43152 21.3093 -22.4203 56.4584 -7.43148 56.4584 -11.6836 GPRESSAVG: 2326600 25.3535 22.5509 -9.52828 19.9809 -21.4745 57.0988 -7.74943 53.8261 -11.9178 TIMING: 2326600 CPU: 7351.34, 0.00312961/step Wall: 7351.34, 0.00312961/step, 2.32408 hours remaining, 235.687500 MB of memory in use. ENERGY: 2326600 3926.4017 20607.9967 14421.3829 242.7889 -203276.9925 2692.3192 0.0000 0.0000 51966.7350 -109419.3680 298.6535 -161386.1031 -109059.8405 299.2906 12.8699 36.3567 761370.4614 -2.7310 -2.6796 PRESSURE: 2326800 -283.758 -130.916 -116.239 -130.916 92.4518 95.1438 -116.239 95.1435 228.639 GPRESSURE: 2326800 -197.35 -109.909 -207.019 -74.3935 150.943 -2.57849 -72.4142 126.887 175.635 PRESSAVG: 2326800 25.2664 -9.11024 -28.7235 -9.1103 -28.9175 52.3279 -28.7234 52.3279 40.744 GPRESSAVG: 2326800 25.4064 -7.02618 -28.1036 -10.4309 -27.9307 51.965 -27.0475 53.5821 40.4294 TIMING: 2326800 CPU: 7351.97, 0.00314614/step Wall: 7351.97, 0.00314614/step, 2.33618 hours remaining, 235.687500 MB of memory in use. ENERGY: 2326800 3965.4739 20407.4708 14465.1521 235.6557 -203204.5788 2651.8994 0.0000 0.0000 52145.6462 -109333.2807 299.6817 -161478.9269 -108971.1301 299.1110 12.4441 43.0761 762379.8807 12.3643 12.6350 PRESSURE: 2327000 -259.872 -97.1521 -167.858 -97.1523 -18.2086 -84.5671 -167.858 -84.5666 22.2646 GPRESSURE: 2327000 -207.805 -30.5948 -242.2 -147.997 -55.0277 -31.5087 -16.6823 0.696579 90.8659 PRESSAVG: 2327000 -50.4975 -18.3935 -4.25723 -18.3935 20.5838 -49.2448 -4.25711 -49.2447 -9.84543 GPRESSAVG: 2327000 -49.4537 -20.4796 -3.15034 -18.7752 19.3155 -48.1159 -6.64743 -51.673 -9.54088 TIMING: 2327000 CPU: 7352.6, 0.00316193/step Wall: 7352.6, 0.00316193/step, 2.34773 hours remaining, 235.687500 MB of memory in use. ENERGY: 2327000 3928.3429 20486.9062 14442.4889 227.7358 -203318.7630 2630.4028 0.0000 0.0000 52146.2586 -109456.6279 299.6853 -161602.8864 -109093.1055 298.8521 -85.2720 -57.3222 762013.9870 -13.2530 -13.2264 PRESSURE: 2327200 24.5826 -156.607 227.311 -156.607 -214.216 57.2242 227.311 57.2244 -247.206 GPRESSURE: 2327200 10.5843 -82.5853 278.802 -194.852 -134.145 7.62233 195.657 -22.7222 -213.162 PRESSAVG: 2327200 -44.4211 -14.5445 0.885645 -14.5445 12.2527 -13.2421 0.885643 -13.2422 -2.4947 GPRESSAVG: 2327200 -45.2379 -13.0645 -0.845003 -14.5315 13.9851 -15.2883 3.42778 -12.7049 -2.98643 TIMING: 2327200 CPU: 7353.23, 0.00315831/step Wall: 7353.23, 0.00315831/step, 2.34487 hours remaining, 235.687500 MB of memory in use. ENERGY: 2327200 4009.4315 20479.7836 14475.6045 258.5770 -203326.0905 2757.6538 0.0000 0.0000 51936.7235 -109408.3166 298.4811 -161345.0401 -109042.7768 298.7841 -145.6134 -112.2409 761817.9632 -11.5544 -11.4131 PRESSURE: 2327400 -444.373 26.385 9.82149 26.3849 -272.518 -56.6082 9.82108 -56.6071 16.1121 GPRESSURE: 2327400 -328.202 -104.424 98.0998 -62.8383 -301.61 -19.1129 26.1087 -20.856 10.551 PRESSAVG: 2327400 -28.8477 -59.2758 25.9185 -59.2758 25.4949 23.6076 25.9185 23.6076 -21.453 GPRESSAVG: 2327400 -29.6336 -61.3513 27.7412 -57.8702 24.825 23.7792 25.2957 25.4235 -20.1826 TIMING: 2327400 CPU: 7353.87, 0.00315995/step Wall: 7353.87, 0.00315995/step, 2.34591 hours remaining, 235.687500 MB of memory in use. ENERGY: 2327400 3996.4065 20543.8379 14424.3324 243.9954 -202819.9289 2551.7065 0.0000 0.0000 51889.7023 -109169.9477 298.2108 -161059.6501 -108811.0986 299.0990 -233.5930 -206.4204 762858.5460 -8.2686 -8.3304 PRESSURE: 2327600 275.428 -82.6139 -159.37 -82.6136 -17.6117 -85.7503 -159.371 -85.7499 -10.4161 GPRESSURE: 2327600 308.403 -56.173 -187.289 -122.626 79.883 -33.3942 -77.3756 -51.004 -76.8053 PRESSAVG: 2327600 15.7774 -51.7398 -18.0054 -51.7398 28.4581 40.6989 -18.0054 40.6988 9.79397 GPRESSAVG: 2327600 16.4945 -51.437 -17.8236 -52.6489 28.804 42.1212 -20.5726 38.2474 9.34631 TIMING: 2327600 CPU: 7354.5, 0.00316053/step Wall: 7354.5, 0.00316053/step, 2.34617 hours remaining, 235.687500 MB of memory in use. ENERGY: 2327600 4003.3661 20556.6798 14535.8530 229.2766 -203520.8918 2902.8903 0.0000 0.0000 52155.6545 -109137.1714 299.7393 -161292.8259 -108780.1636 299.4391 82.4669 103.8268 760712.0208 18.0098 18.2149 PRESSURE: 2327800 -58.5317 -131.339 -87.3294 -131.339 -66.7324 -271.037 -87.3293 -271.037 275.951 GPRESSURE: 2327800 -36.9894 -241.171 -77.3707 -29.9555 -37.1305 -218.558 -82.1331 -215.529 293.382 PRESSAVG: 2327800 -30.629 -76.8734 2.13005 -76.8734 49.3766 -28.4489 2.13003 -28.449 -16.7775 GPRESSAVG: 2327800 -29.66 -77.6017 2.79484 -76.5755 48.3664 -28.5596 2.21272 -25.5674 -16.8909 TIMING: 2327800 CPU: 7355.13, 0.00317588/step Wall: 7355.13, 0.00317588/step, 2.35739 hours remaining, 235.687500 MB of memory in use. ENERGY: 2327800 4020.5327 20425.5668 14389.2759 248.6884 -203096.0122 2620.8120 0.0000 0.0000 52227.3476 -109163.7888 300.1513 -161391.1364 -108803.3818 300.0279 50.2290 73.0875 760828.8714 0.6567 0.6052 PRESSURE: 2328000 -233.301 129.901 6.63059 129.901 282.765 12.0143 6.63112 12.0144 96.5158 GPRESSURE: 2328000 -179.848 64.4628 89.4245 189.541 320.062 23.8978 -78.7718 130.842 99.2275 PRESSAVG: 2328000 -23.1683 12.6998 -3.27425 12.6998 22.5685 -44.9134 -3.27427 -44.9134 16.5315 GPRESSAVG: 2328000 -24.3983 13.4382 -3.6283 12.3924 23.0745 -45.726 -1.37736 -46.4932 17.0931 TIMING: 2328000 CPU: 7355.76, 0.00313786/step Wall: 7355.76, 0.00313786/step, 2.32899 hours remaining, 235.687500 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: 2328000 3983.5774 20518.7485 14467.7007 254.1024 -203249.1223 2812.3368 0.0000 0.0000 52081.2071 -109131.4493 299.3114 -161212.6564 -108771.0240 299.7701 48.6599 79.8140 761538.3609 5.3106 5.2565 PRESSURE: 2328200 214.26 83.0718 -112.413 83.0717 -110.617 124.736 -112.413 124.736 -114.669 GPRESSURE: 2328200 166.924 27.2674 -36.9804 139.658 -53.3632 162.135 -41.2578 174.497 -46.7314 PRESSAVG: 2328200 -8.21503 -7.2237 7.96276 -7.22372 47.6724 -1.16471 7.96283 -1.16478 20.761 GPRESSAVG: 2328200 -6.98486 -6.80387 6.43332 -7.02169 46.7134 -1.55081 7.54727 0.812287 20.4295 TIMING: 2328200 CPU: 7356.39, 0.00312789/step Wall: 7356.39, 0.00312789/step, 2.32141 hours remaining, 235.687500 MB of memory in use. ENERGY: 2328200 4087.2857 20491.1040 14422.2766 253.1894 -203142.5088 2696.0363 0.0000 0.0000 51916.7935 -109275.8233 298.3665 -161192.6168 -108920.4066 299.3175 -3.6753 22.2765 761920.9472 20.0728 20.0527 LDB: ============= START OF LOAD BALANCING ============== 7368.92 LDB: ============== END OF LOAD BALANCING =============== 7368.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.92 LDB: ============= START OF LOAD BALANCING ============== 7369.24 LDB: Largest compute 7054 load 0.031510 is 16.1% of average load 0.195483 LDB: Average compute 0.004402 is 2.3% of average load 0.195483 LDB: TIME 7369.24 LOAD: AVG 0.195483 MAX 0.212935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 7369.24 LOAD: AVG 0.195483 MAX 0.212935 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: TIME 7369.24 LOAD: AVG 0.195483 MAX 0.212935 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: ============== END OF LOAD BALANCING =============== 7369.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7369.25 PRESSURE: 2328400 23.1467 79.558 -120.018 79.558 130.884 -2.53024 -120.019 -2.53074 -402.23 GPRESSURE: 2328400 93.6417 56.656 -88.7183 104.249 106.224 3.17409 -94.7866 -82.8697 -383.897 PRESSAVG: 2328400 17.8939 -47.2611 50.0274 -47.2611 -21.7501 -20.3756 50.0274 -20.3757 -13.806 GPRESSAVG: 2328400 15.908 -46.808 51.9006 -46.0683 -20.6045 -20.5751 49.0215 -22.0605 -12.6441 TIMING: 2328400 CPU: 7357.03, 0.00321258/step Wall: 7357.03, 0.00321258/step, 2.38409 hours remaining, 235.394531 MB of memory in use. ENERGY: 2328400 4053.2960 20591.1141 14363.1326 235.0122 -203076.4071 2690.5154 0.0000 0.0000 51850.9539 -109292.3829 297.9881 -161143.3368 -108935.6015 298.6966 -82.7332 -61.3437 762746.6671 -5.8874 -5.7802 PRESSURE: 2328600 245.975 18.9425 80.4581 18.9415 -283.538 -298.316 80.4579 -298.316 61.7899 GPRESSURE: 2328600 220.792 41.2295 41.9846 1.12756 -182.979 -271.267 67.239 -260.644 75.0064 PRESSAVG: 2328600 -38.8441 -90.4855 5.03362 -90.4855 7.99918 -57.2265 5.03359 -57.2266 14.0026 GPRESSAVG: 2328600 -38.9092 -90.2467 3.28421 -93.5839 8.47671 -56.7921 7.11185 -57.4072 13.9728 TIMING: 2328600 CPU: 7357.66, 0.0031451/step Wall: 7357.66, 0.0031451/step, 2.33384 hours remaining, 235.656250 MB of memory in use. ENERGY: 2328600 4036.0837 20486.6470 14451.0583 248.1595 -203221.5293 2657.4425 0.0000 0.0000 52103.1771 -109238.9613 299.4377 -161342.1384 -108878.7294 299.2999 8.0755 37.6066 762626.0422 -5.6141 -5.4866 PRESSURE: 2328800 -103.385 69.55 79.9349 69.5496 184.848 13.5767 79.936 13.5764 178.392 GPRESSURE: 2328800 -135.477 -105.013 88.0765 8.35326 239.904 -49.5549 45.3199 8.68471 247.627 PRESSAVG: 2328800 23.7313 -65.7458 16.6255 -65.7458 -24.3415 -46.5861 16.6255 -46.5861 -12.0889 GPRESSAVG: 2328800 24.7693 -65.765 18.1401 -66.031 -25.2753 -45.8183 14.9403 -46.9445 -12.3854 TIMING: 2328800 CPU: 7358.29, 0.0031407/step Wall: 7358.29, 0.00314069/step, 2.3304 hours remaining, 235.726562 MB of memory in use. ENERGY: 2328800 4011.5159 20505.7475 14516.7861 245.1554 -203470.8134 2841.1038 0.0000 0.0000 52246.2326 -109104.2721 300.2598 -161350.5047 -108742.9997 299.2788 86.6185 117.3512 760961.6414 -4.2330 -4.2971 PRESSURE: 2329000 -205.293 -109.755 -75.6272 -109.755 -165.438 -241.444 -75.6269 -241.445 -404.601 GPRESSURE: 2329000 -218.717 -124.024 -39.5071 -111.288 -119.161 -201.237 -75.0301 -283.133 -354.313 PRESSAVG: 2329000 -27.856 -43.1952 41.0342 -43.1952 77.6413 21.4698 41.0342 21.4699 2.68097 GPRESSAVG: 2329000 -27.2652 -43.5982 39.3451 -42.1029 77.7001 19.0969 39.9031 22.9086 2.29498 TIMING: 2329000 CPU: 7358.91, 0.00312885/step Wall: 7358.91, 0.00312885/step, 2.32143 hours remaining, 235.726562 MB of memory in use. ENERGY: 2329000 4092.0706 20463.9485 14476.4952 255.8649 -203252.4734 2622.2995 0.0000 0.0000 52399.2455 -108942.5492 301.1392 -161341.7947 -108580.0755 299.4693 -258.4442 -230.7301 761074.9338 17.4888 17.5766 PRESSURE: 2329200 -97.1436 -87.2402 92.623 -87.2404 -243.579 357.797 92.6229 357.796 -388.509 GPRESSURE: 2329200 -67.7276 56.197 18.9533 -155.123 -143.383 219.181 66.5678 222.114 -439.978 PRESSAVG: 2329200 -47.7753 -45.0621 6.05439 -45.0621 19.8506 48.0859 6.05434 48.0859 -13.8717 GPRESSAVG: 2329200 -48.0077 -43.5783 7.25453 -44.6715 19.2904 47.4765 5.46255 46.8451 -13.8108 TIMING: 2329200 CPU: 7359.54, 0.00314077/step Wall: 7359.54, 0.00314077/step, 2.33011 hours remaining, 235.726562 MB of memory in use. ENERGY: 2329200 4017.6233 20465.1152 14416.4437 243.0275 -203082.1566 2607.5929 0.0000 0.0000 52430.3709 -108901.9830 301.3181 -161332.3539 -108525.8517 300.1575 -243.0772 -217.0295 761996.2128 -13.9322 -14.1760 PRESSURE: 2329400 178.944 99.7158 -151.577 99.7151 291.358 91.9593 -151.577 91.959 283.983 GPRESSURE: 2329400 195.748 -32.7239 -177.705 27.5933 373.462 113.29 -131.557 37.3878 274.979 PRESSAVG: 2329400 -35.8282 -36.2684 -50.034 -36.2684 42.0189 2.11252 -50.0339 2.11258 28.3108 GPRESSAVG: 2329400 -36.4361 -37.7113 -50.8133 -36.9995 41.7413 5.47448 -47.9983 2.33383 29.2525 TIMING: 2329400 CPU: 7360.17, 0.00312258/step Wall: 7360.17, 0.00312258/step, 2.31643 hours remaining, 235.726562 MB of memory in use. ENERGY: 2329400 3964.8824 20601.1101 14450.9931 235.3698 -203550.7893 3083.2923 0.0000 0.0000 52147.8027 -109067.3390 299.6941 -161215.1416 -108714.5410 300.0731 251.4280 281.3964 760988.0209 11.5005 11.5193 PRESSURE: 2329600 214.808 -127.337 43.8369 -127.338 -118.9 -123.153 43.8374 -123.152 -330.227 GPRESSURE: 2329600 120.99 -154.501 93.1271 -85.0131 -71.5901 -157.167 35.8083 -19.0638 -194.03 PRESSAVG: 2329600 18.9327 -92.4834 13.2856 -92.4834 3.18601 -10.5353 13.2856 -10.5353 -11.8545 GPRESSAVG: 2329600 18.1664 -92.1747 15.1068 -92.9836 4.14734 -12.7085 12.9119 -10.053 -11.6286 TIMING: 2329600 CPU: 7360.79, 0.00312246/step Wall: 7360.79, 0.00312246/step, 2.31617 hours remaining, 235.726562 MB of memory in use. ENERGY: 2329600 4046.9920 20407.7246 14513.3370 238.9902 -202995.6043 2520.3702 0.0000 0.0000 52209.7976 -109058.3927 300.0504 -161268.1903 -108696.0583 300.2886 -78.1066 -48.2100 760589.6480 3.4214 3.5617 PRESSURE: 2329800 -341.724 -27.007 120.213 -27.006 -226.151 -232.062 120.214 -232.063 -178.339 GPRESSURE: 2329800 -117.381 -59.0006 87.8154 -10.7543 -311.721 -232.714 98.6052 -115.382 -221.249 PRESSAVG: 2329800 -14.0021 -68.2509 34.0843 -68.251 51.7105 -19.1421 34.0843 -19.1421 -22.1242 GPRESSAVG: 2329800 -11.581 -66.9181 31.7177 -67.7718 51.4219 -18.1158 32.6896 -18.5912 -23.8076 TIMING: 2329800 CPU: 7361.42, 0.00315512/step Wall: 7361.42, 0.00315512/step, 2.34022 hours remaining, 235.960938 MB of memory in use. ENERGY: 2329800 3950.0672 20475.5190 14557.5058 250.5826 -202707.7923 2307.0394 0.0000 0.0000 51735.4517 -109431.6265 297.3244 -161167.0783 -109074.8359 299.2304 -248.7380 -216.7834 762348.0761 5.1948 5.3445 PRESSURE: 2330000 -408.461 -44.0091 -3.64712 -44.009 -199.163 87.935 -3.64753 87.9358 -404.167 GPRESSURE: 2330000 -341.627 -61.2104 21.459 -94.2661 -141.19 50.5783 120.209 174.03 -441.314 PRESSAVG: 2330000 32.4401 -43.7759 2.68098 -43.7759 -14.2276 32.3589 2.68101 32.359 -8.48834 GPRESSAVG: 2330000 31.5766 -46.4677 3.45419 -42.2719 -14.2651 31.1524 4.6497 32.9405 -7.69158 TIMING: 2330000 CPU: 7362.05, 0.0031561/step Wall: 7362.05, 0.0031561/step, 2.34078 hours remaining, 235.960938 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: 2330000 3951.4004 20433.1054 14503.4683 256.6277 -203202.6940 2396.3696 0.0000 0.0000 52054.8395 -109606.8831 299.1599 -161661.7226 -109243.0682 298.7591 -337.2635 -308.0437 760544.0006 3.2414 3.2067 PRESSURE: 2330200 -258.389 -173.444 -13.8729 -173.444 -271.738 -12.0862 -13.8736 -12.0865 84.045 GPRESSURE: 2330200 -227.635 -13.113 28.1232 -67.7538 -197.101 9.06925 -48.6823 63.3988 41.8987 PRESSAVG: 2330200 22.7156 -33.1917 -36.5061 -33.1917 -63.7438 -16.8835 -36.5061 -16.8835 21.9914 GPRESSAVG: 2330200 22.111 -32.1993 -36.2973 -33.3767 -63.3449 -15.8148 -36.5749 -17.506 21.7764 TIMING: 2330200 CPU: 7362.68, 0.00314581/step Wall: 7362.68, 0.00314581/step, 2.33297 hours remaining, 236.015625 MB of memory in use. ENERGY: 2330200 3980.4417 20670.2798 14437.6807 256.9283 -203173.7651 2379.5816 0.0000 0.0000 51968.3313 -109480.5217 298.6627 -161448.8530 -109124.4993 298.4306 -148.6940 -127.6125 761179.4436 -6.3456 -6.4859 PRESSURE: 2330400 194.084 155.227 -11.1927 155.227 448.749 -18.8609 -11.1923 -18.8608 59.6077 GPRESSURE: 2330400 212.205 121.83 -63.558 182.306 405.568 72.7238 13.5269 30.6613 161.271 PRESSAVG: 2330400 26.7104 7.50573 6.20771 7.50576 16.5407 -7.92684 6.20775 -7.92675 -15.7422 GPRESSAVG: 2330400 26.9011 7.75334 5.31591 5.56909 16.5525 -7.42162 5.82065 -7.84382 -15.4604 TIMING: 2330400 CPU: 7363.31, 0.00314893/step Wall: 7363.31, 0.00314893/step, 2.33511 hours remaining, 236.015625 MB of memory in use. ENERGY: 2330400 4002.3060 20604.2245 14515.3042 233.3967 -203255.2303 2624.9673 0.0000 0.0000 51933.5415 -109341.4899 298.4628 -161275.0314 -108995.5530 299.2185 234.1471 259.6815 759257.2044 9.1697 9.3311 PRESSURE: 2330600 319.476 -72.7941 15.227 -72.7948 17.0355 16.6999 15.2265 16.6996 50.9219 GPRESSURE: 2330600 272.984 11.965 106.065 -130.928 56.252 -24.445 152.31 59.54 156.14 PRESSAVG: 2330600 -62.5861 18.52 63.2837 18.5201 59.8618 2.7942 63.2837 2.79415 20.2405 GPRESSAVG: 2330600 -61.7937 18.4422 64.6396 20.8802 60.2085 1.81235 62.5092 0.852859 20.0871 TIMING: 2330600 CPU: 7363.94, 0.00312469/step Wall: 7363.94, 0.00312469/step, 2.31695 hours remaining, 236.015625 MB of memory in use. ENERGY: 2330600 3976.1662 20532.0464 14473.1108 257.0904 -203581.7985 3016.5850 0.0000 0.0000 51969.4981 -109357.3016 298.6694 -161326.7997 -108989.9856 299.0152 129.1446 161.7921 761749.8303 5.8388 6.1673 PRESSURE: 2330800 11.8533 23.7975 70.2061 23.7965 131.331 -67.4284 70.2064 -67.4288 178.366 GPRESSURE: 2330800 36.6992 -10.1007 25.6344 -12.2798 176.83 -60.9411 87.3316 -10.8519 201.285 PRESSAVG: 2330800 23.7035 -12.6457 -20.3361 -12.6457 14.6936 -4.12442 -20.3361 -4.12442 -9.90637 GPRESSAVG: 2330800 23.0488 -12.2148 -20.8135 -13.7726 13.9786 -3.29337 -17.5268 -3.92032 -8.89552 TIMING: 2330800 CPU: 7364.56, 0.00312197/step Wall: 7364.56, 0.00312197/step, 2.31477 hours remaining, 236.015625 MB of memory in use. ENERGY: 2330800 4071.4328 20383.4614 14505.3510 232.1479 -203351.1662 2761.6504 0.0000 0.0000 51950.4868 -109446.6360 298.5602 -161397.1228 -109095.7539 299.3966 107.1832 138.2715 760489.8295 9.4969 9.3773 PRESSURE: 2331000 -203.347 -16.624 -127.542 -16.6243 -290.223 21.2534 -127.542 21.2533 -488.285 GPRESSURE: 2331000 -245.307 14.5114 -157.103 -0.87328 -167.767 47.0541 -97.2882 -2.91941 -488.462 PRESSAVG: 2331000 -44.9198 25.3654 0.621859 25.3654 11.7974 56.4507 0.621865 56.4508 9.43149 GPRESSAVG: 2331000 -44.5104 26.1483 0.0771225 24.0196 11.4504 55.3492 -2.62793 58.7782 9.6741 TIMING: 2331000 CPU: 7365.19, 0.00313271/step Wall: 7365.19, 0.00313271/step, 2.32256 hours remaining, 236.015625 MB of memory in use. ENERGY: 2331000 3973.5059 20619.4733 14539.2486 248.4051 -203097.4245 2381.1717 0.0000 0.0000 51728.1267 -109607.4932 297.2823 -161335.6199 -109233.9493 298.4108 -327.2850 -300.5119 762574.4611 -7.8970 -7.7953 PRESSURE: 2331200 339.458 32.8687 -36.9274 32.8691 -127.215 -176.125 -36.9277 -176.125 24.2528 GPRESSURE: 2331200 327.08 -33.57 -51.9518 6.52418 -44.2935 -149.972 -76.0923 -222.178 21.1061 PRESSAVG: 2331200 39.4981 -64.2409 33.8426 -64.2409 -7.0403 -22.0592 33.8427 -22.0593 -4.9451 GPRESSAVG: 2331200 40.2712 -64.5909 33.8196 -64.0389 -6.28667 -20.7446 35.5452 -24.0623 -6.26795 TIMING: 2331200 CPU: 7365.81, 0.00312292/step Wall: 7365.81, 0.00312292/step, 2.31513 hours remaining, 236.015625 MB of memory in use. ENERGY: 2331200 3995.9500 20390.5429 14516.4315 238.0265 -203641.6888 2774.8191 0.0000 0.0000 52011.6910 -109714.2277 298.9119 -161725.9187 -109362.2575 298.1600 78.8318 101.2975 762966.4910 9.1709 9.2389 PRESSURE: 2331400 17.7416 -227.789 98.6989 -227.789 -55.3308 -160.75 98.7002 -160.75 -37.9363 GPRESSURE: 2331400 53.1858 -85.6015 72.8556 -25.1139 29.4919 -129.457 111.544 -71.2956 -66.7837 PRESSAVG: 2331400 1.68161 1.87057 13.0313 1.87049 -15.8485 -30.4282 13.0314 -30.4283 -19.4768 GPRESSAVG: 2331400 0.811176 0.627421 14.5978 6.32739 -15.2988 -30.3577 11.2969 -29.6965 -18.012 TIMING: 2331400 CPU: 7366.44, 0.00312334/step Wall: 7366.44, 0.00312334/step, 2.31526 hours remaining, 236.015625 MB of memory in use. ENERGY: 2331400 3968.4564 20399.7353 14423.0738 235.3015 -203855.0261 3104.3828 0.0000 0.0000 52018.7350 -109705.3415 298.9524 -161724.0765 -109333.8534 297.8180 -25.1752 5.2980 762626.3153 -11.2146 -10.8332 PRESSURE: 2331600 -28.9242 40.0139 87.2098 40.0139 -11.7632 191.702 87.2103 191.701 -172.318 GPRESSURE: 2331600 -25.8784 31.9035 68.2055 14.4952 -8.25081 307.374 57.5232 73.751 -111.765 PRESSAVG: 2331600 -12.0392 39.7311 59.5589 39.7311 8.51988 -6.76698 59.5589 -6.76689 16.1027 GPRESSAVG: 2331600 -10.5685 40.3572 56.6383 35.7608 7.68372 -7.8386 61.2984 -7.18857 15.4783 TIMING: 2331600 CPU: 7367.06, 0.00312905/step Wall: 7367.06, 0.00312905/step, 2.31932 hours remaining, 236.015625 MB of memory in use. ENERGY: 2331600 3941.3923 20556.1826 14553.3835 262.5493 -203896.5398 3040.5617 0.0000 0.0000 51802.7145 -109739.7558 297.7109 -161542.4703 -109385.8035 298.1427 -71.0019 -48.6314 761397.9049 4.1944 4.1978 PRESSURE: 2331800 165.028 14.8692 219.828 14.8688 138.536 123.573 219.828 123.573 -26.9489 GPRESSURE: 2331800 106.882 148.095 189.265 -16.6682 204.555 127.684 244.526 175.908 31.6734 PRESSAVG: 2331800 75.253 -15.0918 1.90821 -15.0918 -65.8139 30.9574 1.90824 30.9574 -20.9265 GPRESSAVG: 2331800 73.9179 -16.6844 4.24731 -13.1839 -65.1021 30.5084 1.2353 31.0383 -19.918 TIMING: 2331800 CPU: 7367.69, 0.00312995/step Wall: 7367.69, 0.00312995/step, 2.31981 hours remaining, 236.015625 MB of memory in use. ENERGY: 2331800 4082.3608 20554.6042 14550.3530 234.1442 -203883.9067 2803.1013 0.0000 0.0000 51894.1118 -109765.2314 298.2362 -161659.3432 -109419.1758 298.0103 92.2050 114.3701 759211.7611 -3.8291 -3.7007 PRESSURE: 2332000 240.327 67.0293 156.041 67.0295 -190.746 -21.6029 156.041 -21.6032 256.121 GPRESSURE: 2332000 266.896 185.872 72.5582 -89.9103 -171.652 -4.26715 220.516 -110.276 298.36 PRESSAVG: 2332000 -0.525552 15.614 34.7467 15.614 2.50193 19.8026 34.7467 19.8026 -9.77011 GPRESSAVG: 2332000 -1.05198 16.622 33.4516 16.7031 2.22731 19.856 35.3381 20.8098 -9.08442 TIMING: 2332000 CPU: 7368.32, 0.00315049/step Wall: 7368.32, 0.00315049/step, 2.33486 hours remaining, 236.015625 MB of memory 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 4036.8516 20468.9746 14500.8985 247.2047 -203530.2797 2672.2552 0.0000 0.0000 51912.5007 -109691.5944 298.3419 -161604.0950 -109320.7407 298.6118 101.9005 131.2013 759593.6007 -2.5979 -2.6364 PRESSURE: 2332200 -115.819 41.0016 58.747 41.0009 4.85802 80.2638 58.748 80.2641 424.816 GPRESSURE: 2332200 -7.93157 105.435 88.809 -59.41 25.8033 84.6252 86.5495 86.3827 370.006 PRESSAVG: 2332200 -6.3168 31.7301 4.11064 31.7302 10.4878 22.0596 4.11068 22.0596 -2.51932 GPRESSAVG: 2332200 -4.64397 31.3707 2.72677 31.0107 10.1832 20.5443 3.23681 22.0233 -3.58354 TIMING: 2332200 CPU: 7368.95, 0.00315971/step Wall: 7368.95, 0.00315971/step, 2.34152 hours remaining, 236.015625 MB of memory in use. ENERGY: 2332200 3964.5493 20456.4513 14520.1020 257.3312 -203840.8012 2935.4770 0.0000 0.0000 52119.2171 -109587.6732 299.5299 -161706.8903 -109215.0836 299.0975 104.6184 129.2927 760519.7049 0.5505 0.6519 LDB: ============= START OF LOAD BALANCING ============== 7381.48 LDB: ============== END OF LOAD BALANCING =============== 7381.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7381.49 LDB: ============= START OF LOAD BALANCING ============== 7381.8 LDB: Largest compute 7057 load 0.031965 is 16.3% of average load 0.195593 LDB: Average compute 0.004393 is 2.2% of average load 0.195593 LDB: TIME 7381.8 LOAD: AVG 0.195593 MAX 0.2141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 7381.8 LOAD: AVG 0.195593 MAX 0.2141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 7381.8 LOAD: AVG 0.195593 MAX 0.2141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 7381.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7381.81 PRESSURE: 2332400 -418.122 16.2868 -0.0617029 16.287 -375.291 62.6706 -0.0614145 62.6705 -194.025 GPRESSURE: 2332400 -451.173 -74.3034 19.5379 160.739 -247.612 99.5122 -74.7054 93.4983 -180.228 PRESSAVG: 2332400 -22.5057 -6.54611 53.5717 -6.54605 8.08531 60.6238 53.5717 60.6237 5.31448 GPRESSAVG: 2332400 -22.394 -6.10084 54.8171 -7.22362 8.49662 62.9171 54.8234 60.5073 4.82275 TIMING: 2332400 CPU: 7369.59, 0.00321338/step Wall: 7369.59, 0.00321338/step, 2.38111 hours remaining, 234.847656 MB of memory in use. ENERGY: 2332400 4041.1414 20555.4911 14457.5088 252.4276 -203079.3407 2325.9310 0.0000 0.0000 52061.8570 -109384.9838 299.2002 -161446.8408 -109020.8305 299.0642 -329.1460 -293.0042 762076.0964 -3.0353 -3.0249 PRESSURE: 2332600 312.787 75.2251 31.3004 75.2254 137.631 -109.502 31.3008 -109.503 18.785 GPRESSURE: 2332600 361.316 191.744 -13.0609 102.185 137.791 -124.914 113.267 -121.916 38.275 PRESSAVG: 2332600 40.5944 21.0097 -5.30888 21.0097 -2.3765 33.7541 -5.30891 33.7541 -4.93592 GPRESSAVG: 2332600 40.657 21.7334 -4.96717 19.9443 -2.93044 33.9923 -6.48418 34.2423 -4.95301 TIMING: 2332600 CPU: 7370.22, 0.00313991/step Wall: 7370.22, 0.00313991/step, 2.3265 hours remaining, 235.050781 MB of memory in use. ENERGY: 2332600 3985.0631 20446.0690 14548.0636 248.4653 -203418.7361 2713.5694 0.0000 0.0000 52153.6065 -109323.8993 299.7275 -161477.5057 -108958.2175 299.3087 156.4011 179.1270 760656.8372 11.0940 10.9245 PRESSURE: 2332800 156.146 89.6108 44.7345 89.61 -21.5662 -98.6418 44.7341 -98.6426 -164.078 GPRESSURE: 2332800 210.705 136.11 -85.6944 223.285 -18.2606 -16.2647 93.7904 -106.245 -133.77 PRESSAVG: 2332800 25.799 27.8415 -16.5675 27.8415 -35.7631 -3.91397 -16.5675 -3.91397 -14.5035 GPRESSAVG: 2332800 25.6165 28.4925 -18.259 28.7241 -35.1571 -5.61268 -15.0601 -4.43463 -14.7759 TIMING: 2332800 CPU: 7370.85, 0.0031289/step Wall: 7370.85, 0.0031289/step, 2.31817 hours remaining, 235.050781 MB of memory in use. ENERGY: 2332800 4025.3802 20432.8934 14442.8667 246.2291 -203152.2428 2669.5808 0.0000 0.0000 52053.7323 -109281.5604 299.1535 -161335.2927 -108926.1011 299.6900 -9.8326 19.5581 761050.3273 -8.1559 -8.1055 PRESSURE: 2333000 -7.13228 7.9784 57.6455 7.97887 -52.5178 1.71545 57.6449 1.71509 167.211 GPRESSURE: 2333000 108.857 -11.1647 79.7956 -131.986 -68.0113 -50.3646 71.289 207.969 146.156 PRESSAVG: 2333000 -6.71801 -17.6545 -62.8575 -17.6544 41.4433 -4.73943 -62.8575 -4.73946 -6.19222 GPRESSAVG: 2333000 -6.69075 -19.9345 -60.2871 -18.6096 41.426 -4.29639 -66.1764 -3.11446 -6.03742 TIMING: 2333000 CPU: 7371.47, 0.00313355/step Wall: 7371.47, 0.00313355/step, 2.32144 hours remaining, 235.050781 MB of memory in use. ENERGY: 2333000 3961.7088 20561.5141 14500.2116 231.7527 -203290.4908 2689.6209 0.0000 0.0000 52028.4805 -109317.2022 299.0084 -161345.6826 -108965.1035 299.5983 35.8535 62.3339 760269.8105 9.5110 9.5659 PRESSURE: 2333200 166.919 251.48 -238.093 251.48 -185.227 -105.823 -238.092 -105.823 50.9401 GPRESSURE: 2333200 230.812 225.441 -184.94 202.042 -63.3386 -102.002 -350.012 -154.857 -36.9606 PRESSAVG: 2333200 10.5817 39.5405 -20.3729 39.5405 9.64385 2.25076 -20.3729 2.25084 7.01351 GPRESSAVG: 2333200 11.1606 38.7195 -20.5971 39.4953 10.1725 2.64046 -19.5515 -1.42905 5.6279 TIMING: 2333200 CPU: 7372.1, 0.00312768/step Wall: 7372.1, 0.00312768/step, 2.31692 hours remaining, 235.253906 MB of memory in use. ENERGY: 2333200 3988.5805 20353.6695 14497.4570 234.2631 -203603.6758 2888.5860 0.0000 0.0000 52123.4987 -109517.6209 299.5545 -161641.1196 -109138.2720 299.2893 10.8774 43.5041 762743.4149 9.0797 8.9870 PRESSURE: 2333400 48.1943 -29.0573 25.6672 -29.0568 -188.892 -46.9829 25.6677 -46.9834 134.43 GPRESSURE: 2333400 124.102 -8.54004 70.7954 102.785 -184.082 -14.2714 -101.279 -99.8987 119.738 PRESSAVG: 2333400 11.1415 21.4916 -2.41801 21.4916 -17.2585 -42.3773 -2.41806 -42.3773 33.9006 GPRESSAVG: 2333400 12.1244 21.5556 -1.24385 22.625 -17.2084 -41.657 -3.0182 -38.3919 33.1498 TIMING: 2333400 CPU: 7372.73, 0.00314603/step Wall: 7372.73, 0.00314603/step, 2.33034 hours remaining, 235.253906 MB of memory in use. ENERGY: 2333400 4074.8445 20601.7593 14439.7708 243.7489 -203308.1130 2696.3661 0.0000 0.0000 51529.9677 -109721.6559 296.1434 -161251.6235 -109370.5797 298.6758 -2.0891 19.9195 760910.7613 9.2612 9.3553 PRESSURE: 2333600 418.744 -181.313 70.6046 -181.312 -101.499 206.393 70.6056 206.391 38.4202 GPRESSURE: 2333600 289.33 -167.47 46.0071 -189.419 -33.7442 289.381 73.9804 162.252 172.002 PRESSAVG: 2333600 47.4979 -39.3306 -26.1357 -39.3306 -63.8746 5.83496 -26.1356 5.83491 -39.1053 GPRESSAVG: 2333600 46.0106 -39.4808 -28.1457 -37.8803 -64.1199 5.55167 -24.9105 5.20082 -38.0783 TIMING: 2333600 CPU: 7373.36, 0.00314649/step Wall: 7373.36, 0.00314649/step, 2.3305 hours remaining, 235.253906 MB of memory in use. ENERGY: 2333600 3961.8250 20657.9241 14410.0577 251.0276 -203277.8634 2701.6058 0.0000 0.0000 51802.9920 -109492.4311 297.7125 -161295.4231 -109134.7494 298.6855 118.5550 142.5294 761094.5309 -18.4940 -18.7292 PRESSURE: 2333800 -90.7663 -258.727 -70.2282 -258.727 160.885 238.054 -70.2287 238.054 250.353 GPRESSURE: 2333800 113.446 -218.93 1.50115 -153.438 134.532 222.096 41.3476 148.489 146.999 PRESSAVG: 2333800 -5.40011 36.7682 -24.4658 36.7682 8.75427 -6.89534 -24.4658 -6.89533 -8.99127 GPRESSAVG: 2333800 -4.97368 34.8683 -24.2977 35.0712 8.88596 -7.03711 -24.6912 -8.91922 -9.39056 TIMING: 2333800 CPU: 7373.98, 0.00313692/step Wall: 7373.98, 0.00313692/step, 2.32324 hours remaining, 235.253906 MB of memory in use. ENERGY: 2333800 3952.4257 20483.0967 14412.2011 260.8980 -203415.4524 2824.3487 0.0000 0.0000 51967.7272 -109514.7550 298.6592 -161482.4822 -109155.5966 298.7942 106.8242 131.6590 761714.8207 -1.8790 -1.8261 PRESSURE: 2334000 123.157 72.0564 -76.471 72.0562 315.871 -90.8666 -76.4712 -90.8663 -42.9776 GPRESSURE: 2334000 226.936 53.3732 -42.9437 92.6054 288.718 -119.183 -134.816 21.2788 -45.5293 PRESSAVG: 2334000 -4.72285 -47.4285 -67.1893 -47.4285 27.3855 -11.8352 -67.1892 -11.8351 -20.7206 GPRESSAVG: 2334000 -5.56151 -45.4923 -66.6497 -48.1503 27.1021 -11.4424 -67.6275 -11.2544 -19.8964 TIMING: 2334000 CPU: 7374.61, 0.00314716/step Wall: 7374.61, 0.00314716/step, 2.33065 hours remaining, 235.253906 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: 2334000 3953.4988 20482.9861 14459.7863 238.0964 -203428.9586 2719.3200 0.0000 0.0000 51772.9027 -109802.3682 297.5396 -161575.2709 -109433.1455 298.4884 132.0169 156.7081 759388.8400 0.6473 0.5481 PRESSURE: 2334200 15.5541 -154.704 54.1289 -154.706 -285.527 26.2337 54.1298 26.2336 267.657 GPRESSURE: 2334200 158.47 -81.1148 8.6156 -70.6775 -346.19 1.10713 12.9996 43.4952 301.905 PRESSAVG: 2334200 22.0508 -5.85505 -42.2178 -5.855 10.8941 -31.7851 -42.2178 -31.785 1.30135 GPRESSAVG: 2334200 21.1732 -4.92009 -41.9686 -4.36189 12.1743 -31.1512 -42.1731 -29.6881 0.570137 TIMING: 2334200 CPU: 7375.24, 0.00315111/step Wall: 7375.24, 0.00315111/step, 2.3334 hours remaining, 235.253906 MB of memory in use. ENERGY: 2334200 3949.4802 20291.3672 14472.5528 231.0182 -203627.2829 2892.3917 0.0000 0.0000 52071.9332 -109718.5395 299.2581 -161790.4728 -109359.0486 298.6380 -0.7719 38.0618 760951.9351 11.4154 11.3059 PRESSURE: 2334400 170.208 18.5333 -58.2126 18.5329 -37.2406 66.728 -58.2122 66.7276 105.195 GPRESSURE: 2334400 195.206 -145.762 -24.7173 118.967 -63.2871 7.17609 -57.3676 -27.6235 167.073 PRESSAVG: 2334400 52.4105 -30.2205 -52.3619 -30.2205 -32.2906 5.3472 -52.3619 5.34728 -8.15795 GPRESSAVG: 2334400 52.5764 -30.8328 -53.5257 -30.3004 -32.8635 5.05229 -51.1886 3.65362 -7.47159 TIMING: 2334400 CPU: 7375.87, 0.00314436/step Wall: 7375.87, 0.00314436/step, 2.32822 hours remaining, 235.253906 MB of memory in use. ENERGY: 2334400 3935.7440 20463.3872 14437.1797 253.5750 -203685.4483 2919.5208 0.0000 0.0000 51870.3766 -109805.6651 298.0998 -161676.0417 -109444.9338 298.4872 79.3875 99.6639 761756.8411 3.9873 4.0804 PRESSURE: 2334600 143.929 -8.26939 -30.4554 -8.26878 46.3507 66.3545 -30.4554 66.3551 -222.991 GPRESSURE: 2334600 170.088 -50.5125 -66.8095 45.0037 84.1099 8.05859 -141.538 90.118 -204.47 PRESSAVG: 2334600 -3.59466 -46.7299 9.51881 -46.7299 -51.4053 15.5543 9.51878 15.5543 -5.28317 GPRESSAVG: 2334600 -2.81746 -46.6449 10.1995 -47.0872 -52.0216 14.083 7.68652 16.1662 -6.22663 TIMING: 2334600 CPU: 7376.51, 0.00316961/step Wall: 7376.51, 0.00316961/step, 2.34675 hours remaining, 235.253906 MB of memory in use. ENERGY: 2334600 3951.9294 20430.7790 14443.9087 235.8662 -203033.3376 2375.4234 0.0000 0.0000 51821.3580 -109774.0730 297.8181 -161595.4309 -109423.0978 298.0884 -10.9037 16.5760 761342.0594 -20.0944 -20.3552 PRESSURE: 2334800 -64.6535 -148.711 94.1801 -148.71 172.923 -84.2287 94.1804 -84.2288 -373.576 GPRESSURE: 2334800 -28.8769 -81.6909 99.8592 -118.924 103.201 9.04169 141.774 -79.3525 -259.711 PRESSAVG: 2334800 32.6813 -13.4481 -23.151 -13.4481 3.11114 37.4172 -23.151 37.4172 -26.4421 GPRESSAVG: 2334800 31.1521 -11.8411 -22.8458 -15.131 3.62353 38.9733 -21.7191 35.6877 -25.358 TIMING: 2334800 CPU: 7377.14, 0.00315075/step Wall: 7377.14, 0.00315075/step, 2.33261 hours remaining, 235.253906 MB of memory in use. ENERGY: 2334800 4004.5699 20533.1296 14396.0287 230.3249 -203393.2442 2489.3567 0.0000 0.0000 51941.5642 -109798.2701 298.5089 -161739.8343 -109438.7711 298.2439 -88.4353 -61.7958 760205.1707 3.1168 3.1392 PRESSURE: 2335000 -151.904 -80.7439 123.624 -80.7432 22.6454 121.839 123.624 121.838 115.612 GPRESSURE: 2335000 -67.2921 -87.7533 94.2532 -18.605 18.6213 143.593 207.858 131.183 128.219 PRESSAVG: 2335000 -36.8156 -14.8201 -19.5032 -14.8202 85.3071 2.34568 -19.5032 2.34564 22.0488 GPRESSAVG: 2335000 -35.3709 -16.2315 -18.7006 -13.3172 85.5017 2.01619 -19.4023 4.50559 21.3382 TIMING: 2335000 CPU: 7377.77, 0.00315444/step Wall: 7377.77, 0.00315444/step, 2.33516 hours remaining, 235.253906 MB of memory in use. ENERGY: 2335000 4007.6618 20606.7038 14406.2352 242.0477 -203319.7567 2567.3358 0.0000 0.0000 51729.9851 -109759.7872 297.2929 -161489.7723 -109399.6481 298.6268 -4.5489 26.5160 764324.3506 23.5134 23.8230 PRESSURE: 2335200 -268.89 81.9827 -166.389 81.9833 280.418 122.952 -166.388 122.952 -88.9442 GPRESSURE: 2335200 -170.183 199.343 -149.751 186.758 276.913 71.8488 -182.763 17.7956 -105.329 PRESSAVG: 2335200 -0.0267723 13.9984 8.64215 13.9984 -35.4748 -19.5922 8.64223 -19.5922 -2.32858 GPRESSAVG: 2335200 0.350246 14.9883 6.83233 12.7376 -35.0866 -19.9869 7.94211 -20.0051 -3.01353 TIMING: 2335200 CPU: 7378.4, 0.00315394/step Wall: 7378.4, 0.00315394/step, 2.33462 hours remaining, 235.253906 MB of memory in use. ENERGY: 2335200 3913.6488 20624.6071 14508.0121 248.2490 -203496.9913 2825.3268 0.0000 0.0000 51679.8140 -109697.3335 297.0046 -161377.1475 -109337.4297 298.0497 -25.8053 0.4671 762769.0101 -12.6101 -12.5833 PRESSURE: 2335400 -307.27 -42.246 -110.83 -42.2461 57.465 154.869 -110.83 154.872 -372.503 GPRESSURE: 2335400 -218.492 -54.5116 -156.011 -79.5666 24.64 67.5213 -73.4275 197.315 -340.098 PRESSAVG: 2335400 -58.6746 -1.04865 -41.0325 -1.04858 43.4063 -25.6842 -41.0325 -25.6841 -2.30379 GPRESSAVG: 2335400 -58.8887 -2.54711 -39.8668 -0.592345 42.6607 -23.4223 -42.0046 -28.2544 -1.24111 TIMING: 2335400 CPU: 7379.03, 0.00315064/step Wall: 7379.03, 0.00315064/step, 2.332 hours remaining, 235.253906 MB of memory in use. ENERGY: 2335400 3959.4292 20710.7838 14414.8225 250.2850 -203309.0127 2508.5544 0.0000 0.0000 51965.4649 -109499.6729 298.6462 -161465.1378 -109134.3403 298.5508 -207.4358 -177.9832 760555.8359 -5.8573 -5.8231 PRESSURE: 2335600 108.748 -55.669 -69.8857 -55.6684 -158.173 189.968 -69.8866 189.969 -157.871 GPRESSURE: 2335600 109.86 65.7194 -99.4924 22.4396 -78.3143 239.058 -6.27418 59.3955 -151.363 PRESSAVG: 2335600 38.7696 -0.0259134 -43.9875 -0.0259247 -49.0805 -27.352 -43.9876 -27.3519 -7.77074 GPRESSAVG: 2335600 37.4777 2.09699 -42.7904 0.889009 -47.0909 -27.8005 -42.8547 -25.7585 -8.22023 TIMING: 2335600 CPU: 7379.66, 0.00316027/step Wall: 7379.66, 0.00316027/step, 2.33895 hours remaining, 235.253906 MB of memory in use. ENERGY: 2335600 3997.9271 20522.6480 14395.2880 249.5980 -203559.3766 2610.9147 0.0000 0.0000 52028.5055 -109754.4953 299.0085 -161783.0008 -109382.4120 298.5021 -69.0986 -39.9392 761230.0833 -6.0272 -5.9445 PRESSURE: 2335800 -23.3483 162.936 -494.709 162.935 106.063 -81.8106 -494.71 -81.811 40.5985 GPRESSURE: 2335800 21.3791 106.727 -460.528 148.25 128.429 -80.4346 -338.753 -104.298 50.4976 PRESSAVG: 2335800 -31.7791 4.71026 -33.5947 4.71027 54.0988 -0.592161 -33.5946 -0.592103 4.75824 GPRESSAVG: 2335800 -30.3268 4.22326 -36.5292 6.13031 51.9306 -1.91348 -32.8028 0.918895 5.34759 TIMING: 2335800 CPU: 7380.3, 0.00317059/step Wall: 7380.3, 0.00317059/step, 2.34641 hours remaining, 235.253906 MB of memory in use. ENERGY: 2335800 3998.2334 20426.4997 14469.8645 268.0891 -203778.1922 2819.0122 0.0000 0.0000 52227.5804 -109568.9130 300.1526 -161796.4934 -109208.1046 298.4331 41.1044 66.7686 760378.8564 9.0260 8.9838 PRESSURE: 2336000 -26.6907 -135.608 101.594 -135.61 -200.117 50.8277 101.595 50.8268 -124.536 GPRESSURE: 2336000 -51.238 -120.791 106.206 -178.048 -92.148 -121.146 -67.7583 137.17 -132.769 PRESSAVG: 2336000 96.0774 46.5555 32.5547 46.5554 -48.5532 -2.76447 32.5546 -2.76448 -33.844 GPRESSAVG: 2336000 94.9567 45.4908 33.0384 43.3598 -48.5859 -4.08254 32.249 -1.83271 -32.7595 TIMING: 2336000 CPU: 7380.92, 0.00314367/step Wall: 7380.92, 0.00314367/step, 2.32631 hours remaining, 235.253906 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: 2336000 3978.7777 20576.3355 14440.9975 248.9791 -203543.1460 2688.8850 0.0000 0.0000 52032.3321 -109576.8392 299.0305 -161609.1713 -109215.9116 298.8338 -117.1144 -92.0516 761435.4658 4.5600 4.5371 PRESSURE: 2336200 -23.3989 -115.018 118.672 -115.019 -313.566 -170.496 118.672 -170.496 -277.566 GPRESSURE: 2336200 13.7929 -154.773 182.56 -150.856 -303.753 -81.6474 -3.98368 -73.8532 -220.57 PRESSAVG: 2336200 -19.3972 15.5635 21.6611 15.5634 8.35277 18.3321 21.661 18.3322 1.42723 GPRESSAVG: 2336200 -19.4338 13.8645 22.4612 17.8843 8.91933 18.3737 21.1342 19.3476 0.787886 TIMING: 2336200 CPU: 7381.55, 0.00314755/step Wall: 7381.55, 0.00314755/step, 2.32901 hours remaining, 235.253906 MB of memory in use. ENERGY: 2336200 3987.4422 20524.2941 14397.9750 233.0604 -203436.3380 2546.9994 0.0000 0.0000 52342.6342 -109403.9326 300.8138 -161746.5669 -109038.9570 299.0456 -204.8437 -170.1768 762374.2567 -3.2057 -3.2422 LDB: ============= START OF LOAD BALANCING ============== 7394.09 LDB: ============== END OF LOAD BALANCING =============== 7394.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7394.09 LDB: ============= START OF LOAD BALANCING ============== 7394.4 LDB: Largest compute 7054 load 0.030526 is 15.6% of average load 0.195550 LDB: Average compute 0.004401 is 2.3% of average load 0.195550 LDB: TIME 7394.41 LOAD: AVG 0.19555 MAX 0.216145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.844 MB LDB: TIME 7394.41 LOAD: AVG 0.19555 MAX 0.216145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: TIME 7394.41 LOAD: AVG 0.19555 MAX 0.216145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: ============== END OF LOAD BALANCING =============== 7394.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7394.41 PRESSURE: 2336400 -351.497 124.549 133.929 124.549 -432.82 -193.707 133.928 -193.707 -175.385 GPRESSURE: 2336400 -306.077 216.789 124.852 66.7146 -409.366 -241.676 130.526 -6.97592 -153.401 PRESSAVG: 2336400 27.9228 0.179532 51.8372 0.179559 -44.6426 16.4062 51.8372 16.4062 10.6005 GPRESSAVG: 2336400 28.9036 2.03384 51.3647 0.0106409 -44.6081 17.353 52.0895 16.1679 9.94046 TIMING: 2336400 CPU: 7382.2, 0.00321449/step Wall: 7382.2, 0.00321449/step, 2.37837 hours remaining, 236.128906 MB of memory in use. ENERGY: 2336400 3966.7988 20555.2827 14459.8328 240.4447 -202870.0168 2391.0071 0.0000 0.0000 51857.8025 -109398.8481 298.0275 -161256.6506 -109034.0701 298.7616 -319.9007 -289.6147 763442.2784 -2.0398 -1.9213 PRESSURE: 2336600 254.406 11.7438 179.455 11.7435 148.837 -143.255 179.455 -143.253 197.356 GPRESSURE: 2336600 253.883 -142.063 201.129 -68.6743 200.396 -171.379 225.952 -150.438 215.779 PRESSAVG: 2336600 -36.9905 -38.71 11.1797 -38.71 57.2183 18.8264 11.1796 18.8264 7.70107 GPRESSAVG: 2336600 -37.3737 -39.805 11.7749 -40.0055 57.4384 19.1153 12.2174 16.3812 7.56497 TIMING: 2336600 CPU: 7382.82, 0.00312997/step Wall: 7382.82, 0.00312997/step, 2.31566 hours remaining, 236.332031 MB of memory in use. ENERGY: 2336600 3952.3539 20519.0907 14451.3381 252.0367 -203068.8150 2568.0776 0.0000 0.0000 52005.2829 -109320.6351 298.8751 -161325.9179 -108948.2886 298.8986 200.1995 223.3527 763411.1599 9.3096 9.2099 PRESSURE: 2336800 -35.3442 62.3452 -179.399 62.3459 -95.401 -1.61236 -179.398 -1.61263 -445.862 GPRESSURE: 2336800 -60.4538 70.5767 -151.202 -39.9469 -27.3858 30.6842 -141.28 26.3894 -394.247 PRESSAVG: 2336800 -35.3026 8.07622 7.43922 8.0762 14.5729 38.6398 7.43924 38.6398 6.74554 GPRESSAVG: 2336800 -35.2889 7.68739 6.89827 5.8284 14.4332 38.0774 6.43247 41.7413 6.52985 TIMING: 2336800 CPU: 7383.45, 0.00314949/step Wall: 7383.45, 0.00314949/step, 2.32992 hours remaining, 236.332031 MB of memory in use. ENERGY: 2336800 3982.1669 20605.2606 14442.0258 246.7119 -203443.7194 2901.9870 0.0000 0.0000 51955.4351 -109310.1321 298.5886 -161265.5672 -108966.8969 299.0342 -192.2025 -160.6957 765769.1186 -4.6614 -4.7753 PRESSURE: 2337000 -161.434 152.499 196.585 152.499 -0.27272 -326.452 196.586 -326.453 350.357 GPRESSURE: 2337000 -134.078 141.888 239.285 183.818 114.76 -331.307 212.431 -286.323 300.342 PRESSAVG: 2337000 -68.6452 18.7458 32.4392 18.7458 48.8909 -20.2756 32.4392 -20.2755 -8.82762 GPRESSAVG: 2337000 -69.4461 19.193 33.6549 20.607 50.0707 -20.7271 32.0277 -21.5946 -8.93413 TIMING: 2337000 CPU: 7384.08, 0.00315051/step Wall: 7384.08, 0.00315051/step, 2.3305 hours remaining, 236.332031 MB of memory in use. ENERGY: 2337000 3951.0963 20513.6369 14442.1960 257.0184 -203569.4586 2933.7077 0.0000 0.0000 52141.6387 -109330.1645 299.6587 -161471.8032 -108969.3127 298.9185 62.8832 93.6747 762631.1228 -9.5273 -9.4365 PRESSURE: 2337200 180.297 0.857841 -87.2679 0.858137 -145.782 -8.65087 -87.2686 -8.65115 -323.385 GPRESSURE: 2337200 288.839 -140.8 -43.8737 -36.6767 -120.241 -7.17377 -59.4367 -39.4907 -368.641 PRESSAVG: 2337200 -56.048 46.0726 4.37486 46.0726 29.6293 10.9375 4.37487 10.9375 2.78551 GPRESSAVG: 2337200 -54.9165 46.0247 5.25385 48.6561 28.0514 11.4965 3.84405 11.4067 3.5355 TIMING: 2337200 CPU: 7384.71, 0.00314617/step Wall: 7384.71, 0.00314617/step, 2.32712 hours remaining, 236.332031 MB of memory in use. ENERGY: 2337200 3989.4674 20406.9933 14338.2521 227.5231 -203024.9496 2485.4586 0.0000 0.0000 52026.6333 -109550.6219 298.9978 -161577.2552 -109184.0733 298.3103 -96.2900 -66.6812 764253.1691 -7.8777 -7.7765 PRESSURE: 2337400 -31.2572 -319.311 89.8827 -319.311 118.916 -106.34 89.8828 -106.34 432.084 GPRESSURE: 2337400 -18.8748 -356.226 122.226 -247.954 252.194 -70.5521 -26.5019 -49.3801 365.668 PRESSAVG: 2337400 18.8398 -24.3352 28.8931 -24.3352 9.4174 0.555171 28.8931 0.555155 10.0013 GPRESSAVG: 2337400 18.9242 -22.7113 27.9378 -26.3342 9.92381 -0.32358 29.5707 -0.29842 9.13655 TIMING: 2337400 CPU: 7385.34, 0.00314911/step Wall: 7385.34, 0.00314911/step, 2.32912 hours remaining, 236.332031 MB of memory in use. ENERGY: 2337400 3906.4907 20673.5122 14417.3170 230.5009 -203296.0118 2693.2978 0.0000 0.0000 51930.6004 -109444.2927 298.4459 -161374.8931 -109079.0077 299.0179 173.2475 199.6625 760804.1493 12.7529 12.6615 PRESSURE: 2337600 -300.057 76.2303 220.171 76.2299 -145.978 86.836 220.172 86.8361 -81.0538 GPRESSURE: 2337600 -234.505 -49.3141 189.003 -4.03786 -58.6656 -13.1682 140.756 189.44 -140.605 PRESSAVG: 2337600 17.1355 -31.8619 48.3802 -31.8618 -21.8904 13.4588 48.3802 13.4588 -9.18753 GPRESSAVG: 2337600 16.8269 -34.2401 47.3946 -31.0687 -22.0047 12.3014 49.8128 12.8678 -8.69883 TIMING: 2337600 CPU: 7385.97, 0.00314001/step Wall: 7385.97, 0.00314001/step, 2.32221 hours remaining, 236.589844 MB of memory in use. ENERGY: 2337600 4028.3052 20491.7911 14359.0112 254.6403 -203040.7111 2684.8636 0.0000 0.0000 51657.3541 -109564.7458 296.8755 -161222.0999 -109207.6080 298.8013 -175.6965 -144.5918 764312.1587 -4.6475 -4.6255 PRESSURE: 2337800 -430.006 -107.424 269.174 -107.425 -67.0214 -97.1905 269.175 -97.1912 26.6184 GPRESSURE: 2337800 -340.439 -53.3371 229.68 -32.9108 -71.0889 -34.4375 138.917 2.06143 27.6177 PRESSAVG: 2337800 -1.28751 -29.5793 -5.26049 -29.5793 -46.2206 2.86801 -5.26052 2.86792 10.0205 GPRESSAVG: 2337800 -1.87728 -28.9992 -4.01391 -28.4246 -46.233 5.38258 -5.73645 2.56111 10.3878 TIMING: 2337800 CPU: 7386.6, 0.00316078/step Wall: 7386.6, 0.00316078/step, 2.3374 hours remaining, 236.589844 MB of memory in use. ENERGY: 2337800 3961.2037 20348.3902 14358.4440 253.9241 -203130.2378 2497.3247 0.0000 0.0000 51777.3380 -109933.6130 297.5651 -161710.9511 -109569.3109 298.2053 -156.8031 -127.9699 764144.4447 -12.4959 -12.5742 PRESSURE: 2338000 -247.691 44.2074 -101.403 44.2093 -50.9301 -182.702 -101.402 -182.702 167.741 GPRESSURE: 2338000 -294.455 -5.81326 -182.941 74.9319 42.1352 -203.074 -90.616 -190.584 213.955 PRESSAVG: 2338000 -13.869 -47.8266 10.9904 -47.8265 -26.7705 13.6324 10.9905 13.6324 11.6231 GPRESSAVG: 2338000 -14.7681 -47.9616 10.7242 -48.6713 -26.3753 11.5781 9.42775 13.0872 11.7514 TIMING: 2338000 CPU: 7387.23, 0.00314642/step Wall: 7387.23, 0.00314642/step, 2.3266 hours remaining, 236.589844 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: 2338000 3977.3447 20556.6148 14365.2691 267.1916 -203426.4387 2577.8362 0.0000 0.0000 51901.0568 -109781.1255 298.2761 -161682.1823 -109413.0737 297.8533 -43.6268 -12.7884 761950.5824 -9.6722 -9.7973 PRESSURE: 2338200 -354.684 -51.0835 -80.3514 -51.0828 -13.1774 89.3758 -80.3503 89.3768 79.1336 GPRESSURE: 2338200 -252.966 -107.301 24.7196 -137.542 -58.5569 3.79324 -92.4261 118.021 103.456 PRESSAVG: 2338200 -26.0007 -51.3666 40.8516 -51.3666 34.3759 -12.3287 40.8515 -12.3287 -3.99468 GPRESSAVG: 2338200 -26.6272 -52.1907 40.7355 -51.8925 34.6781 -12.3231 40.8736 -8.37173 -3.5402 TIMING: 2338200 CPU: 7387.86, 0.00314494/step Wall: 7387.86, 0.00314494/step, 2.32533 hours remaining, 236.589844 MB of memory in use. ENERGY: 2338200 3964.1037 20328.1185 14442.7007 241.9435 -203083.4178 2396.7672 0.0000 0.0000 52022.6612 -109687.1230 298.9749 -161709.7842 -109325.4068 298.7898 -96.2425 -69.3557 761579.3046 1.4602 1.5036 PRESSURE: 2338400 210.78 -231.254 112.676 -231.254 101.855 81.2757 112.676 81.276 -273.548 GPRESSURE: 2338400 215.204 -102.224 107.777 -127.373 127.048 38.131 -98.368 -2.75886 -233.988 PRESSAVG: 2338400 -20.5802 -13.3094 13.8767 -13.3094 -8.65516 47.1031 13.8767 47.1031 15.4931 GPRESSAVG: 2338400 -18.7552 -12.5344 13.9096 -12.1332 -9.03328 48.7944 14.5994 43.1369 13.5881 TIMING: 2338400 CPU: 7388.49, 0.00314534/step Wall: 7388.49, 0.00314534/step, 2.32546 hours remaining, 236.589844 MB of memory in use. ENERGY: 2338400 4064.0746 20357.0639 14454.8927 262.6498 -203690.6222 3033.0262 0.0000 0.0000 51898.0211 -109620.8938 298.2586 -161518.9150 -109253.3441 298.3382 13.0290 36.0881 761762.3717 -4.5807 -4.7334 PRESSURE: 2338600 70.2733 -44.4364 -40.6058 -44.4364 -235.701 106.475 -40.6054 106.475 7.79655 GPRESSURE: 2338600 -7.88981 102.913 -15.9697 20.6943 -191.31 149.724 10.2253 -136.138 119.988 PRESSAVG: 2338600 27.8577 51.8063 -5.74656 51.8063 -36.0022 43.7723 -5.74659 43.7723 -10.1474 GPRESSAVG: 2338600 26.4388 54.915 -6.24244 48.6993 -37.1588 41.8202 -6.9589 44.5818 -7.61753 TIMING: 2338600 CPU: 7389.12, 0.00313435/step Wall: 7389.12, 0.00313435/step, 2.31716 hours remaining, 236.589844 MB of memory in use. ENERGY: 2338600 3960.3853 20438.7802 14436.1962 250.6748 -203168.3030 2667.2547 0.0000 0.0000 51767.3819 -109647.6298 297.5079 -161415.0118 -109289.4461 298.3998 -52.5437 -26.4041 762296.9565 -6.0973 -6.1125 PRESSURE: 2338800 224.035 13.9965 -34.7674 13.9963 -51.9422 212.166 -34.768 212.167 151.522 GPRESSURE: 2338800 245.423 16.4351 95.3756 -80.9005 1.91564 181.19 -96.3759 220.942 146.102 PRESSAVG: 2338800 39.6966 19.1777 5.17803 19.1778 -2.06051 65.7991 5.17802 65.7992 1.25169 GPRESSAVG: 2338800 40.1838 17.2105 4.43357 22.3623 -1.71478 66.9995 8.98703 65.9569 0.223256 TIMING: 2338800 CPU: 7389.74, 0.00314036/step Wall: 7389.74, 0.00314036/step, 2.32143 hours remaining, 236.589844 MB of memory in use. ENERGY: 2338800 4002.4406 20525.5348 14479.7048 243.9722 -203379.6642 2715.8807 0.0000 0.0000 51760.0517 -109652.0794 297.4657 -161412.1311 -109297.9807 298.5622 107.8718 131.1469 762780.9430 12.9626 12.8974 PRESSURE: 2339000 198.061 -154.034 -12.7993 -154.034 -19.2939 38.3744 -12.8002 38.3742 180.822 GPRESSURE: 2339000 211.818 -187.285 34.9484 -227.021 19.1206 67.5457 52.7046 -42.6659 221.639 PRESSAVG: 2339000 -12.7616 40.851 42.1704 40.851 -8.8372 29.9345 42.1703 29.9345 -21.4068 GPRESSAVG: 2339000 -13.0885 40.5421 43.1701 39.9015 -8.23542 31.2526 38.3106 29.0879 -21.4205 TIMING: 2339000 CPU: 7390.37, 0.00314572/step Wall: 7390.37, 0.00314572/step, 2.32521 hours remaining, 236.589844 MB of memory in use. ENERGY: 2339000 3963.3448 20300.5878 14439.2663 254.4299 -203537.7171 2862.3384 0.0000 0.0000 51958.0100 -109759.7400 298.6034 -161717.7499 -109396.7453 298.1022 119.8628 150.8592 762713.0721 -14.3352 -14.2481 PRESSURE: 2339200 16.8293 161.176 -86.4279 161.176 257.257 31.5311 -86.4286 31.5313 -2.97319 GPRESSURE: 2339200 86.8912 173.827 -71.0696 77.5376 296.835 125.728 -41.9214 -3.23631 -41.4442 PRESSAVG: 2339200 20.5622 17.4661 8.68756 17.4661 -37.5673 46.3977 8.6876 46.3977 -5.82954 GPRESSAVG: 2339200 20.4209 16.6811 8.09312 18.2641 -37.0196 44.0527 12.8882 48.712 -6.48864 TIMING: 2339200 CPU: 7391, 0.00314217/step Wall: 7391, 0.00314217/step, 2.32241 hours remaining, 236.589844 MB of memory in use. ENERGY: 2339200 3896.0923 20502.7257 14384.9015 247.6276 -203449.9533 2752.7981 0.0000 0.0000 51855.0284 -109810.7797 298.0116 -161665.8081 -109445.7777 298.4209 90.3712 114.0940 762442.7008 -7.6115 -7.6958 PRESSURE: 2339400 -213.315 65.7343 101.733 65.7342 -320.801 248.205 101.733 248.206 -530.668 GPRESSURE: 2339400 -267.177 54.4014 101.273 144.929 -272.821 244.714 58.1798 232.283 -440.356 PRESSAVG: 2339400 19.6365 -6.50931 1.20469 -6.50937 -44.5361 26.6308 1.20473 26.6308 10.4523 GPRESSAVG: 2339400 20.2982 -6.21714 1.45313 -7.20533 -44.2324 27.6221 -2.04706 24.7805 9.64311 TIMING: 2339400 CPU: 7391.63, 0.00314928/step Wall: 7391.63, 0.00314928/step, 2.32749 hours remaining, 236.589844 MB of memory in use. ENERGY: 2339400 3924.7876 20433.2472 14425.9666 264.3371 -203338.4950 2430.2369 0.0000 0.0000 52029.0227 -109830.8969 299.0115 -161859.9195 -109461.9773 298.2072 -354.9279 -326.7845 762418.4980 -4.8158 -4.7637 PRESSURE: 2339600 -504.369 181.068 173.011 181.067 -219.896 -84.0906 173.011 -84.0896 132.195 GPRESSURE: 2339600 -458.7 216.096 347.874 256.603 -205.668 -137.369 280.251 -28.5834 134.502 PRESSAVG: 2339600 -33.076 19.8111 29.9762 19.8111 -7.23925 51.0157 29.9762 51.0156 -4.48996 GPRESSAVG: 2339600 -33.68 21.3729 31.3895 20.2494 -7.56787 50.3041 28.5132 53.4618 -3.43948 TIMING: 2339600 CPU: 7392.26, 0.00314032/step Wall: 7392.26, 0.00314031/step, 2.32069 hours remaining, 236.589844 MB of memory in use. ENERGY: 2339600 3920.9923 20606.0298 14345.7091 241.8205 -203154.4290 2545.7290 0.0000 0.0000 51760.2136 -109733.9347 297.4667 -161494.1483 -109378.7587 298.0429 -197.3569 -176.6219 762461.8089 -14.9351 -14.8958 PRESSURE: 2339800 -100.865 45.708 79.0089 45.7074 -375.688 31.8592 79.009 31.86 -467.915 GPRESSURE: 2339800 -81.5408 18.542 40.0621 -0.872389 -282.934 -26.2767 37.4241 80.8472 -507.723 PRESSAVG: 2339800 84.2762 12.7107 29.6909 12.7107 -84.2899 -12.7755 29.6908 -12.7755 6.08925 GPRESSAVG: 2339800 83.62 12.5778 29.1053 10.3287 -83.2662 -10.5935 31.9992 -13.0639 5.31207 TIMING: 2339800 CPU: 7392.89, 0.00316274/step Wall: 7392.89, 0.00316274/step, 2.33709 hours remaining, 236.589844 MB of memory in use. ENERGY: 2339800 4029.8327 20495.1694 14353.9586 244.3820 -202983.4106 2254.8814 0.0000 0.0000 51829.0166 -109776.1698 297.8621 -161605.1864 -109400.3752 298.2468 -314.8226 -290.7325 762547.4855 2.0252 1.8886 PRESSURE: 2340000 447.767 -186.671 68.1616 -186.671 -47.2035 -21.301 68.162 -21.301 14.2002 GPRESSURE: 2340000 409.545 -213.092 42.2703 -196.14 -41.1279 90.5336 115.53 -54.5476 143.136 PRESSAVG: 2340000 42.9713 23.4285 17.5322 23.4285 -9.55562 -18.7686 17.5322 -18.7686 -33.7067 GPRESSAVG: 2340000 42.2372 21.7356 15.3643 27.5745 -10.4804 -18.6282 17.8921 -19.9461 -31.8548 TIMING: 2340000 CPU: 7393.52, 0.00315673/step Wall: 7393.52, 0.00315673/step, 2.33247 hours remaining, 236.589844 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: 2340000 3930.4260 20447.5429 14464.5323 246.4137 -203586.5744 2860.0732 0.0000 0.0000 51838.2145 -109799.3717 297.9149 -161637.5862 -109436.8397 298.2622 138.2546 170.5176 761571.3301 -0.0970 -0.0327 PRESSURE: 2340200 112.527 164.654 124.75 164.655 294.093 50.2469 124.75 50.2469 145.832 GPRESSURE: 2340200 178.023 133.996 96.6216 139.328 290.724 122.858 73.3386 271.007 182.475 PRESSAVG: 2340200 54.9287 -5.04566 10.6324 -5.0456 -30.2331 -19.8839 10.6324 -19.884 4.10466 GPRESSAVG: 2340200 56.0108 -4.51212 13.1391 -7.8508 -30.4102 -21.4721 9.65072 -19.9103 3.18341 TIMING: 2340200 CPU: 7394.16, 0.00316105/step Wall: 7394.16, 0.00316105/step, 2.33549 hours remaining, 236.589844 MB of memory in use. ENERGY: 2340200 3990.4254 20401.2050 14350.0594 250.1235 -203658.5579 2903.6187 0.0000 0.0000 51974.8788 -109788.2471 298.7003 -161763.1259 -109428.1789 298.0764 184.1509 217.0740 761448.9864 9.6001 9.5947 LDB: ============= START OF LOAD BALANCING ============== 7406.69 LDB: ============== END OF LOAD BALANCING =============== 7406.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7406.69 LDB: ============= START OF LOAD BALANCING ============== 7407.01 LDB: Largest compute 7058 load 0.030802 is 15.8% of average load 0.195454 LDB: Average compute 0.004407 is 2.3% of average load 0.195454 LDB: TIME 7407.01 LOAD: AVG 0.195454 MAX 0.215927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 7407.01 LOAD: AVG 0.195454 MAX 0.215927 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 7407.01 LOAD: AVG 0.195454 MAX 0.215927 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 7407.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7407.02 PRESSURE: 2340400 -175.504 -8.64531 149.127 -8.64545 56.5138 -100.661 149.126 -100.662 -15.9383 GPRESSURE: 2340400 -18.7717 75.9396 105.982 -30.2545 54.9497 -152.23 121.994 28.1295 -88.0398 PRESSAVG: 2340400 45.2417 -3.12675 6.85099 -3.12678 23.971 20.6867 6.85109 20.6867 1.82928 GPRESSAVG: 2340400 45.4694 -3.27472 7.34631 -2.94216 23.9673 21.4402 6.68105 21.2663 1.52503 TIMING: 2340400 CPU: 7394.8, 0.00322962/step Wall: 7394.8, 0.00322962/step, 2.38597 hours remaining, 235.675781 MB of memory in use. ENERGY: 2340400 4042.3382 20527.9551 14365.9454 245.6001 -203894.6170 3117.8528 0.0000 0.0000 51798.4379 -109796.4875 297.6863 -161594.9254 -109442.9045 298.0650 -44.9760 -17.2873 760869.4705 23.6807 23.6539 PRESSURE: 2340600 -55.8509 117.964 -195.586 117.963 -635.475 -131.566 -195.586 -131.565 -649.79 GPRESSURE: 2340600 -130.446 60.2826 -130.448 118.358 -508.4 -112.324 -119.317 43.2286 -615.733 PRESSAVG: 2340600 83.4917 -14.7673 -6.22275 -14.7673 -95.3024 29.1238 -6.22274 29.1238 7.11717 GPRESSAVG: 2340600 82.3935 -15.0533 -7.74895 -13.046 -95.1089 27.5744 -3.89719 29.8863 7.94303 TIMING: 2340600 CPU: 7395.43, 0.003154/step Wall: 7395.43, 0.003154/step, 2.32993 hours remaining, 235.878906 MB of memory in use. ENERGY: 2340600 4009.8748 20542.3352 14416.8243 249.5227 -203138.0963 2442.7665 0.0000 0.0000 51821.4834 -109655.2894 297.8188 -161476.7728 -109299.3376 298.1734 -447.0385 -418.1932 762664.8792 -1.5645 -1.5908 PRESSURE: 2340800 -42.4795 -91.0231 80.4578 -91.0225 -135.694 -10.7532 80.4572 -10.7536 -481.976 GPRESSURE: 2340800 56.5037 -107.598 72.1745 42.9994 -100.343 18.8022 173.003 -66.2933 -539.56 PRESSAVG: 2340800 11.0396 -65.2781 -25.8067 -65.2781 -33.3649 42.5467 -25.8068 42.5468 -3.02509 GPRESSAVG: 2340800 11.0157 -65.4991 -26.1845 -65.3703 -32.9945 44.5296 -25.7192 41.2965 -3.37568 TIMING: 2340800 CPU: 7396.06, 0.00314557/step Wall: 7396.06, 0.00314557/step, 2.32353 hours remaining, 236.023438 MB of memory in use. ENERGY: 2340800 4031.5623 20377.0857 14383.2855 240.3574 -202953.6282 2384.5940 0.0000 0.0000 51972.1812 -109564.5621 298.6848 -161536.7434 -109196.4742 298.5051 -220.0499 -194.4666 761974.0179 -8.4501 -8.4515 PRESSURE: 2341000 -115.122 70.664 160.762 70.6639 -357.781 -97.2962 160.763 -97.2955 -27.8174 GPRESSURE: 2341000 -185.814 47.3008 186.422 67.2716 -185.214 -37.5125 101.707 -167.663 -44.6792 PRESSAVG: 2341000 55.9913 42.1652 25.6219 42.1652 -60.411 -2.65916 25.6219 -2.65918 -8.06806 GPRESSAVG: 2341000 55.8705 40.3303 26.0761 42.9206 -59.5293 -5.72024 24.107 -1.17013 -8.16042 TIMING: 2341000 CPU: 7396.69, 0.003145/step Wall: 7396.69, 0.003145/step, 2.32293 hours remaining, 236.023438 MB of memory in use. ENERGY: 2341000 3994.5439 20376.6829 14322.9436 236.2287 -203313.1155 2791.7176 0.0000 0.0000 51970.7622 -109620.2365 298.6767 -161590.9987 -109262.8176 298.4225 -166.9071 -138.5690 761849.2215 -4.1626 -3.9397 PRESSURE: 2341200 361.086 -104.216 -166.228 -104.215 -38.4267 42.6193 -166.229 42.619 97.0096 GPRESSURE: 2341200 334.075 -200.771 -94.793 -175.827 0.00563238 138.832 -198.57 78.8238 158.451 PRESSAVG: 2341200 45.5009 0.850642 5.91969 0.850637 -32.7135 -12.9833 5.91966 -12.9834 10.1312 GPRESSAVG: 2341200 46.7596 2.21252 6.24465 -1.79333 -34.9134 -10.6161 5.64181 -13.9135 11.0889 TIMING: 2341200 CPU: 7397.33, 0.00317611/step Wall: 7397.33, 0.00317611/step, 2.34573 hours remaining, 236.023438 MB of memory in use. ENERGY: 2341200 3920.3166 20679.2256 14387.6326 244.7787 -203691.6556 2868.4440 0.0000 0.0000 52132.0483 -109459.2098 299.6036 -161591.2581 -109094.3432 298.8394 139.8895 164.1772 762147.6878 7.6395 7.6450 PRESSURE: 2341400 -69.9362 195.8 -235.151 195.801 -45.166 188.302 -235.151 188.303 -466.097 GPRESSURE: 2341400 -99.2027 266.497 -119.641 214.42 4.18611 210.001 -242.356 187.604 -403.654 PRESSAVG: 2341400 29.814 8.4262 -20.2492 8.42622 -5.21949 1.48491 -20.2493 1.48489 16.3495 GPRESSAVG: 2341400 29.5883 8.32926 -18.2696 10.5736 -3.22813 1.5446 -20.5431 0.951359 15.1849 TIMING: 2341400 CPU: 7397.96, 0.00315098/step Wall: 7397.96, 0.00315098/step, 2.327 hours remaining, 236.023438 MB of memory in use. ENERGY: 2341400 4013.1269 20469.3956 14447.8308 241.2954 -203336.7778 2623.6359 0.0000 0.0000 52195.0397 -109346.4535 299.9656 -161541.4932 -108974.2752 298.6388 -193.7331 -166.2234 763305.7153 13.6480 13.8484 PRESSURE: 2341600 -63.563 -319.889 -20.49 -319.889 -379.943 -34.1939 -20.4892 -34.1921 -58.4611 GPRESSURE: 2341600 -73.0687 -235.784 -5.39818 -340.574 -330.792 -39.9788 -7.22562 1.23567 -21.2095 PRESSAVG: 2341600 -12.2141 10.8636 11.7545 10.8636 29.9698 -1.3783 11.7545 -1.37836 16.4684 GPRESSAVG: 2341600 -11.8474 12.6696 9.69115 8.24822 29.5781 -2.38234 13.9082 -0.344842 16.827 TIMING: 2341600 CPU: 7398.59, 0.00317344/step Wall: 7398.59, 0.00317344/step, 2.34341 hours remaining, 236.023438 MB of memory in use. ENERGY: 2341600 4104.2986 20486.7111 14355.3213 244.5384 -203180.8885 2679.1868 0.0000 0.0000 51894.8994 -109415.9329 298.2407 -161310.8323 -109057.0021 298.6423 -167.3222 -141.6900 763964.2056 11.4080 11.5192 PRESSURE: 2341800 -8.91228 -31.5953 -88.8284 -31.596 -109.214 194.105 -88.8288 194.103 188.559 GPRESSURE: 2341800 20.124 -89.2538 -29.6626 142.804 -148.731 206.398 -92.9221 228.643 282.551 PRESSAVG: 2341800 -38.7076 -32.9335 -3.79397 -32.9335 18.0262 30.0946 -3.79395 30.0946 -3.11349 GPRESSAVG: 2341800 -39.5435 -34.0194 -2.76362 -30.0822 17.4845 31.1402 -4.213 30.1023 -1.8486 TIMING: 2341800 CPU: 7399.22, 0.00315852/step Wall: 7399.22, 0.00315852/step, 2.33222 hours remaining, 236.023438 MB of memory in use. ENERGY: 2341800 4035.5010 20698.8294 14332.2420 248.8515 -203239.7788 2582.6321 0.0000 0.0000 51923.5696 -109418.1532 298.4055 -161341.7228 -109056.9753 299.3078 23.4775 51.3149 762633.1205 -7.9316 -7.9692 PRESSURE: 2342000 -64.6224 148.786 -199.514 148.785 -491.495 -24.7813 -199.515 -24.7819 36.2537 GPRESSURE: 2342000 1.78759 115.178 -157.194 9.445 -529.885 -2.92063 -358.916 -183.855 114.337 PRESSAVG: 2342000 61.7065 36.826 10.5087 36.8259 -41.9097 -61.537 10.5087 -61.537 -5.59652 GPRESSAVG: 2342000 62.6399 36.6873 10.8371 34.4957 -42.1385 -61.8884 10.578 -63.5731 -5.44768 TIMING: 2342000 CPU: 7399.86, 0.00316563/step Wall: 7399.86, 0.00316563/step, 2.33729 hours remaining, 236.023438 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: 2342000 4011.3865 20474.1175 14301.7049 246.6785 -203272.4160 2804.5759 0.0000 0.0000 52041.8034 -109392.1491 299.0850 -161433.9525 -109027.7050 298.7445 -173.2879 -137.9203 763547.9322 4.7334 5.0179 PRESSURE: 2342200 -96.2168 42.6659 -142.448 42.6655 197.543 340.505 -142.449 340.506 -295.658 GPRESSURE: 2342200 -116.096 -34.6682 -170.144 -86.6503 269.072 227.13 22.9368 289.08 -245.782 PRESSAVG: 2342200 20.6589 32.4414 -57.5443 32.4415 -23.3768 25.1175 -57.5443 25.1175 -29.836 GPRESSAVG: 2342200 20.9235 32.3967 -59.4289 34.2511 -23.0782 25.071 -57.2175 24.3347 -30.673 TIMING: 2342200 CPU: 7400.49, 0.00316284/step Wall: 7400.49, 0.00316284/step, 2.33506 hours remaining, 236.023438 MB of memory in use. ENERGY: 2342200 3982.4085 20602.3390 14388.4334 266.4693 -203449.8517 2880.1556 0.0000 0.0000 52033.4822 -109296.5636 299.0371 -161330.0458 -108926.4864 299.2835 -64.7771 -30.9354 763883.5252 -10.8513 -10.9426 PRESSURE: 2342400 144.747 45.4573 143.753 45.4561 -179.053 -115.491 143.752 -115.492 130.384 GPRESSURE: 2342400 244.223 162.216 57.2518 25.9325 -114.403 -94.5083 165.268 -4.24421 38.0555 PRESSAVG: 2342400 41.0324 8.1723 -40.0332 8.17236 1.64199 9.31233 -40.0332 9.31241 33.2963 GPRESSAVG: 2342400 41.5482 9.28706 -40.6592 6.89029 2.18404 7.90511 -39.0234 12.3251 32.6915 TIMING: 2342400 CPU: 7401.12, 0.00316639/step Wall: 7401.12, 0.00316639/step, 2.3375 hours remaining, 236.023438 MB of memory in use. ENERGY: 2342400 3916.1073 20439.1216 14374.2917 243.2673 -202911.6023 2517.2678 0.0000 0.0000 52127.5756 -109293.9712 299.5779 -161421.5467 -108933.4294 298.8241 32.0257 55.9587 763916.2340 25.3236 25.4746 PRESSURE: 2342600 157.86 160.409 256.709 160.408 189.729 98.2177 256.708 98.2178 223.179 GPRESSURE: 2342600 253.078 137.994 249.826 53.7788 140.994 51.6556 178.696 54.6807 269.584 PRESSAVG: 2342600 32.2166 17.7786 -13.9837 17.7787 -34.6102 -19.1936 -13.9837 -19.1936 3.09689 GPRESSAVG: 2342600 32.1672 18.0919 -12.5707 18.1329 -35.2994 -18.2547 -16.9401 -20.7862 4.0823 TIMING: 2342600 CPU: 7401.75, 0.0031645/step Wall: 7401.75, 0.0031645/step, 2.33593 hours remaining, 236.011719 MB of memory in use. ENERGY: 2342600 4066.9940 20611.9847 14404.5535 252.5712 -203502.6603 2947.8260 0.0000 0.0000 52271.9102 -108946.8207 300.4074 -161218.7310 -108586.3650 299.8064 190.2560 221.2186 763696.9385 0.2344 0.3167 PRESSURE: 2342800 -37.4846 -40.1402 -203.396 -40.1406 74.3184 -78.2981 -203.396 -78.2981 294.673 GPRESSURE: 2342800 4.75804 -41.6926 -239.369 -2.90029 112.875 -184.682 -95.9515 230.023 288.454 PRESSAVG: 2342800 13.0639 33.2904 -27.1508 33.2904 -15.5986 -14.0453 -27.1509 -14.0453 1.57731 GPRESSAVG: 2342800 13.7104 31.1979 -28.8807 34.5677 -14.653 -13.4275 -26.9007 -13.2836 0.427432 TIMING: 2342800 CPU: 7402.38, 0.0031538/step Wall: 7402.38, 0.0031538/step, 2.32785 hours remaining, 236.011719 MB of memory in use. ENERGY: 2342800 4022.2740 20682.2435 14478.8097 249.1536 -203410.1785 2905.1889 0.0000 0.0000 52162.3898 -108910.1190 299.7780 -161072.5087 -108547.8717 299.9403 110.5023 135.3624 764009.6231 -0.3191 -0.1717 PRESSURE: 2343000 282.688 83.3833 -9.81841 83.3818 -133.041 -92.8411 -9.81879 -92.8419 84.265 GPRESSURE: 2343000 279.752 56.556 -52.1915 111.286 -22.7676 -57.092 -10.3226 -35.4641 83.3813 PRESSAVG: 2343000 -6.87622 -2.3149 -7.94626 -2.31493 4.99038 -40.7383 -7.94624 -40.7382 -0.5941 GPRESSAVG: 2343000 -6.99299 -2.8877 -8.58072 -2.60205 4.21478 -41.334 -5.44994 -40.0377 -0.0321729 TIMING: 2343000 CPU: 7403.02, 0.00315775/step Wall: 7403.02, 0.00315775/step, 2.3306 hours remaining, 236.023438 MB of memory in use. ENERGY: 2343000 4017.0003 20531.8947 14406.5342 247.8213 -203499.1756 2878.6816 0.0000 0.0000 52423.6181 -108993.6255 301.2793 -161417.2436 -108633.4988 300.6458 77.9709 113.4551 763230.3554 -0.8266 -0.9368 PRESSURE: 2343200 231.591 -39.3155 -35.5576 -39.3162 241.72 -184.765 -35.5584 -184.765 -13.0821 GPRESSURE: 2343200 257.956 -88.9057 69.2287 -102.815 275.18 -144.329 -106.007 -164.922 15.5093 PRESSAVG: 2343200 29.8014 -18.3205 -32.9115 -18.3205 -12.074 9.83801 -32.9115 9.83798 2.78402 GPRESSAVG: 2343200 29.8338 -18.3141 -30.1064 -18.7308 -12.3033 9.77445 -34.287 8.33446 2.84902 TIMING: 2343200 CPU: 7403.65, 0.00315107/step Wall: 7403.65, 0.00315107/step, 2.32549 hours remaining, 236.023438 MB of memory in use. ENERGY: 2343200 4044.2026 20674.0191 14430.1909 239.1287 -203289.7066 2750.2689 0.0000 0.0000 52189.0975 -108962.7988 299.9315 -161151.8963 -108596.3234 300.4139 153.4096 182.8815 761708.2262 6.8371 6.7932 PRESSURE: 2343400 -49.4236 -68.9118 121.927 -68.9124 -403.019 -16.6835 121.926 -16.6832 -44.9524 GPRESSURE: 2343400 -83.9994 -123.388 31.6343 -49.8891 -399.797 -44.1037 179.26 -27.4303 62.8736 PRESSAVG: 2343400 32.613 55.3922 -7.20158 55.3922 23.9628 -18.7391 -7.20159 -18.7391 -1.92383 GPRESSAVG: 2343400 31.1308 52.9736 -8.42902 57.2292 24.6298 -17.8227 -7.07582 -19.439 -1.69368 TIMING: 2343400 CPU: 7404.28, 0.0031758/step Wall: 7404.28, 0.0031758/step, 2.34356 hours remaining, 236.023438 MB of memory in use. ENERGY: 2343400 4118.9131 20572.7688 14456.4567 250.1060 -203221.3975 2777.8360 0.0000 0.0000 51908.6649 -109136.6520 298.3198 -161045.3168 -108775.7928 299.7279 -165.7982 -140.3075 764145.0328 18.2173 18.0223 PRESSURE: 2343600 -234.196 83.833 -229.979 83.8327 -389.412 -150.928 -229.979 -150.928 22.6238 GPRESSURE: 2343600 -82.4948 148.86 -288.028 124.341 -425.996 -173.808 -82.1114 -162.471 -5.28608 PRESSAVG: 2343600 36.549 8.10975 9.60599 8.10977 -25.6363 -12.6765 9.60606 -12.6765 7.23741 GPRESSAVG: 2343600 38.1997 9.60633 9.57075 9.53065 -27.4119 -14.8369 8.92342 -11.7767 7.41578 TIMING: 2343600 CPU: 7404.91, 0.00314607/step Wall: 7404.91, 0.00314607/step, 2.32145 hours remaining, 236.023438 MB of memory in use. ENERGY: 2343600 3981.2023 20736.6916 14464.5535 232.7421 -203345.1111 2760.0169 0.0000 0.0000 52067.8449 -109102.0598 299.2346 -161169.9047 -108746.9971 299.8876 -200.3283 -171.2589 762981.4625 6.0500 6.0679 PRESSURE: 2343800 -58.4948 -102.858 40.5992 -102.858 196.062 155.905 40.5983 155.904 123.662 GPRESSURE: 2343800 -75.0552 -70.961 8.01051 -125.56 308.864 123.556 14.3037 220.557 118.99 PRESSAVG: 2343800 57.9214 -19.8457 9.46459 -19.8457 -30.8514 -16.3043 9.46462 -16.3044 -4.63317 GPRESSAVG: 2343800 57.7021 -19.4668 7.71584 -21.0404 -30.4425 -16.5692 9.56153 -15.7862 -5.38903 TIMING: 2343800 CPU: 7405.54, 0.00315334/step Wall: 7405.54, 0.00315334/step, 2.32664 hours remaining, 236.023438 MB of memory in use. ENERGY: 2343800 3990.4508 20679.6151 14317.1355 256.1164 -203556.1237 2909.3271 0.0000 0.0000 52291.0354 -109112.4434 300.5173 -161403.4788 -108747.9132 299.9334 87.0765 117.5997 762422.0458 7.4789 7.2902 PRESSURE: 2344000 296.524 -143.133 134.524 -143.134 -5.27372 -203.067 134.524 -203.068 57.9172 GPRESSURE: 2344000 315.453 -145.427 94.694 -105.041 -13.4339 -198.972 39.2764 -115.862 133.02 PRESSAVG: 2344000 34.9145 -37.4537 26.1623 -37.4537 -22.5836 11.031 26.1624 11.031 -13.3534 GPRESSAVG: 2344000 33.5714 -36.0724 28.5475 -39.4257 -21.9827 13.2538 26.5394 11.186 -12.4946 TIMING: 2344000 CPU: 7406.18, 0.00317018/step Wall: 7406.18, 0.00317018/step, 2.33889 hours remaining, 236.023438 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: 2344000 4015.8528 20560.1994 14370.6923 256.2898 -203394.7716 3035.1643 0.0000 0.0000 52189.8161 -108966.7569 299.9356 -161156.5731 -108608.2018 299.9577 116.3891 145.0131 761294.0490 -0.3408 -0.3020 PRESSURE: 2344200 -57.8753 10.078 -259.088 10.0795 -58.0075 39.3658 -259.088 39.3666 -304.917 GPRESSURE: 2344200 -21.5988 92.5687 -160.073 104.353 -78.9659 -29.9841 -116.433 42.2744 -247.505 PRESSAVG: 2344200 -20.8525 -10.9 -53.4182 -10.9 -5.59616 -12.5973 -53.4182 -12.5972 18.9312 GPRESSAVG: 2344200 -18.6216 -11.5732 -52.4715 -9.84163 -7.99146 -14.3017 -52.9973 -13.1197 19.3111 TIMING: 2344200 CPU: 7406.81, 0.00317051/step Wall: 7406.81, 0.00317051/step, 2.33896 hours remaining, 236.023438 MB of memory in use. ENERGY: 2344200 4112.1287 20459.8832 14434.5460 236.3220 -203358.9014 2734.4635 0.0000 0.0000 52418.1123 -108963.4457 301.2476 -161381.5580 -108611.7874 300.0995 -140.2665 -116.0232 762767.8595 -2.5058 -2.4340 LDB: ============= START OF LOAD BALANCING ============== 7419.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7419.35 LDB: =============== DONE WITH MIGRATION ================ 7419.35 LDB: ============= START OF LOAD BALANCING ============== 7419.67 LDB: Largest compute 7057 load 0.030971 is 15.8% of average load 0.195405 LDB: Average compute 0.004392 is 2.2% of average load 0.195405 LDB: TIME 7419.67 LOAD: AVG 0.195405 MAX 0.215068 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.871 MB LDB: TIME 7419.67 LOAD: AVG 0.195405 MAX 0.215068 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: TIME 7419.67 LOAD: AVG 0.195405 MAX 0.215068 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: ============== END OF LOAD BALANCING =============== 7419.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7419.68 PRESSURE: 2344400 -31.822 149.402 -173.126 149.402 -296.269 66.3338 -173.126 66.3345 -131.641 GPRESSURE: 2344400 -8.81091 210.066 -16.982 115.263 -201.35 -19.7216 -197.284 128.538 -177.789 PRESSAVG: 2344400 17.5123 19.1171 -3.35278 19.1171 -35.8055 -40.2438 -3.35283 -40.2439 2.84005 GPRESSAVG: 2344400 17.0735 21.2605 -2.91334 18.0194 -33.8538 -40.0496 -3.685 -41.7742 1.39421 TIMING: 2344400 CPU: 7407.46, 0.00325709/step Wall: 7407.46, 0.00325708/step, 2.40264 hours remaining, 235.156250 MB of memory in use. ENERGY: 2344400 4040.2390 20595.5818 14326.0010 238.7698 -203184.3598 2639.6316 0.0000 0.0000 51981.0444 -109363.0922 298.7358 -161344.1366 -109004.7590 299.6876 -153.2443 -129.3165 762511.2203 -5.1510 -5.1287 PRESSURE: 2344600 -17.7682 168.484 37.3591 168.484 32.4277 92.3536 37.359 92.3537 -124.714 GPRESSURE: 2344600 23.6258 132.928 47.5443 84.6316 37.2992 9.66264 16.2994 133.598 -110.974 PRESSAVG: 2344600 6.47921 -9.33356 -4.19045 -9.33357 13.3495 -15.5218 -4.19045 -15.5218 8.5974 GPRESSAVG: 2344600 4.57164 -10.5953 -4.69792 -7.86608 13.5159 -16.5921 -5.5443 -12.9766 9.74937 TIMING: 2344600 CPU: 7408.09, 0.00314046/step Wall: 7408.09, 0.00314046/step, 2.31644 hours remaining, 235.484375 MB of memory in use. ENERGY: 2344600 3956.8078 20500.5551 14376.2193 261.5657 -203136.0954 2707.8336 0.0000 0.0000 52060.8389 -109272.2750 299.1944 -161333.1139 -108917.8300 299.4281 -36.6848 -16.6830 762967.6210 9.4754 9.2790 PRESSURE: 2344800 -657.436 -207.454 1.16346 -207.453 -631.038 -71.031 1.16295 -71.031 4.95545 GPRESSURE: 2344800 -664.606 -216.411 -95.9549 -89.4481 -566.03 -148.306 -22.2261 -79.894 52.9082 PRESSAVG: 2344800 -9.08171 -15.2382 24.8199 -15.2382 -1.56129 -6.86111 24.8198 -6.86107 -13.553 GPRESSAVG: 2344800 -8.63768 -14.4039 23.3405 -13.5309 -1.06134 -6.23982 25.2632 -5.00705 -14.2279 TIMING: 2344800 CPU: 7408.72, 0.00315278/step Wall: 7408.72, 0.00315278/step, 2.32535 hours remaining, 235.484375 MB of memory in use. ENERGY: 2344800 4049.2095 20439.1835 14418.6878 223.7486 -203192.1994 2783.7042 0.0000 0.0000 51933.7066 -109343.9592 298.4637 -161277.6658 -108975.7970 299.2587 -427.8395 -392.5759 763083.2400 -8.0653 -7.9756 PRESSURE: 2345000 222.252 56.4958 87.9116 56.4957 83.6713 251.713 87.9115 251.714 345.412 GPRESSURE: 2345000 261.518 -4.49575 148.932 31.0908 135.067 177.881 76.1778 251.54 345.511 PRESSAVG: 2345000 8.59732 -2.34559 -16.3652 -2.34557 -33.4411 15.3142 -16.3653 15.3141 22.0097 GPRESSAVG: 2345000 9.50109 -2.22167 -15.0144 -4.42909 -34.4684 15.6403 -15.9326 13.5616 22.4101 TIMING: 2345000 CPU: 7409.35, 0.00315071/step Wall: 7409.35, 0.00315071/step, 2.32365 hours remaining, 235.484375 MB of memory in use. ENERGY: 2345000 4004.7602 20466.9613 14481.9809 250.7662 -203555.4228 3031.3685 0.0000 0.0000 51833.8534 -109485.7323 297.8899 -161319.5857 -109138.7705 299.2746 217.1118 247.3656 760893.2704 -0.9447 -0.8524 PRESSURE: 2345200 -371.578 -235.471 -17.6736 -235.472 -230.046 150.231 -17.6734 150.231 -218.986 GPRESSURE: 2345200 -334.657 -198.774 -52.3849 -232.1 -145.391 103.28 47.2046 95.5179 -249.707 PRESSAVG: 2345200 28.3316 18.1527 -5.1295 18.1527 12.9569 41.2139 -5.12944 41.2139 -9.14739 GPRESSAVG: 2345200 26.442 17.849 -5.31739 17.9277 14.5921 41.7431 -4.94156 39.7534 -9.17345 TIMING: 2345200 CPU: 7409.98, 0.00315855/step Wall: 7409.98, 0.00315855/step, 2.32926 hours remaining, 235.484375 MB of memory in use. ENERGY: 2345200 4040.2131 20477.4532 14394.7795 249.0444 -203094.7349 2684.9127 0.0000 0.0000 51903.9121 -109344.4199 298.2925 -161248.3321 -108978.1968 298.4213 -273.5364 -243.2517 763137.3617 10.7137 10.6202 PRESSURE: 2345400 212.676 185.301 -173.354 185.301 99.2166 42.2051 -173.354 42.2048 -79.1092 GPRESSURE: 2345400 263.087 210.847 -92.5564 165.67 78.8897 56.0725 -179.427 54.6916 -49.5134 PRESSAVG: 2345400 -22.1975 -2.31894 39.3236 -2.31893 6.88509 24.9963 39.3237 24.9963 14.1388 GPRESSAVG: 2345400 -21.4196 -2.5844 39.0014 -3.06887 5.45951 26.7583 40.8964 25.7184 14.8459 TIMING: 2345400 CPU: 7410.62, 0.00317337/step Wall: 7410.62, 0.00317337/step, 2.34001 hours remaining, 235.484375 MB of memory in use. ENERGY: 2345400 3866.2445 20605.6646 14473.2804 259.0954 -203001.1371 2545.6603 0.0000 0.0000 52052.3699 -109198.8220 299.1457 -161251.1919 -108847.4889 299.3766 77.5943 97.4877 762071.4568 -0.3912 -0.3714 PRESSURE: 2345600 -217.612 140.895 -57.475 140.896 -201.24 -211.372 -57.4755 -211.371 -245.6 GPRESSURE: 2345600 -220.955 204.915 -61.7994 110.387 -190.237 -181.229 75.6272 -162.265 -179.576 PRESSAVG: 2345600 23.1785 71.4962 11.3581 71.4963 -0.381757 46.1866 11.3581 46.1866 -10.1132 GPRESSAVG: 2345600 23.8843 72.9954 9.95625 71.1762 1.21703 45.5929 11.5938 46.0619 -12.5538 TIMING: 2345600 CPU: 7411.25, 0.00315407/step Wall: 7411.25, 0.00315407/step, 2.3256 hours remaining, 235.484375 MB of memory in use. ENERGY: 2345600 3999.7974 20505.3106 14492.5178 257.2827 -202665.1044 2211.4024 0.0000 0.0000 52178.7435 -109020.0500 299.8720 -161198.7935 -108666.0430 299.5451 -221.4838 -196.9226 762829.1889 4.2279 4.1825 PRESSURE: 2345800 95.6593 -25.7585 -78.581 -25.7598 223.181 -26.4155 -78.581 -26.4156 177.709 GPRESSURE: 2345800 146.135 -80.4064 -129.709 14.6947 204.038 -43.0142 -131.414 -128.6 220.214 PRESSAVG: 2345800 3.53935 58.0668 10.0364 58.0667 -24.8198 39.0141 10.0363 39.0141 -8.07963 GPRESSAVG: 2345800 3.45678 54.0649 10.3801 61.9198 -26.029 39.5537 10.9414 39.6283 -6.35584 TIMING: 2345800 CPU: 7411.88, 0.00317358/step Wall: 7411.88, 0.00317358/step, 2.33981 hours remaining, 235.484375 MB of memory in use. ENERGY: 2345800 3966.2241 20590.6361 14468.2746 228.8745 -202831.1697 2546.6519 0.0000 0.0000 51953.9443 -109076.5643 298.5800 -161030.5086 -108708.5642 299.5047 165.5164 190.1289 762919.7063 -9.7867 -9.6427 PRESSURE: 2346000 325.174 83.1272 252.776 83.1271 -88.5742 8.792 252.777 8.79159 -249.716 GPRESSURE: 2346000 264.573 135.8 237.711 132.027 -5.19308 -2.26041 312.165 -77.3882 -212.586 PRESSAVG: 2346000 27.2307 45.8639 -20.0809 45.8639 -40.1228 18.1025 -20.0809 18.1025 3.93586 GPRESSAVG: 2346000 27.0047 46.8004 -18.3675 43.8209 -39.5592 17.147 -24.6977 15.8287 3.15786 TIMING: 2346000 CPU: 7412.51, 0.00314787/step Wall: 7412.51, 0.00314787/step, 2.32068 hours remaining, 235.484375 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: 2346000 4053.6308 20724.9634 14399.6428 236.4391 -203011.2462 2424.8153 0.0000 0.0000 52145.7177 -109026.0372 299.6822 -161171.7549 -108669.7747 299.3924 -4.3721 15.5979 763187.5557 -2.9854 -3.1322 PRESSURE: 2346200 -515.348 -85.1946 -224.781 -85.1945 -20.5935 25.7913 -224.781 25.7909 -55.8446 GPRESSURE: 2346200 -398.588 -202.769 -244.925 -31.3318 -27.1449 48.2667 -85.8133 40.693 -67.4313 PRESSAVG: 2346200 -63.1612 1.26789 35.1127 1.26793 3.00382 -14.8633 35.1127 -14.8632 -0.537862 GPRESSAVG: 2346200 -63.5067 0.929644 37.3889 1.49059 3.96725 -14.0551 35.7449 -14.556 -1.26124 TIMING: 2346200 CPU: 7413.14, 0.00314931/step Wall: 7413.14, 0.00314931/step, 2.32157 hours remaining, 235.484375 MB of memory in use. ENERGY: 2346200 4050.4665 20430.4278 14451.2096 234.2497 -202725.7815 2386.5752 0.0000 0.0000 52163.5931 -109009.2596 299.7849 -161172.8527 -108650.8575 299.4667 -197.2621 -164.3880 762497.3794 -20.2317 -20.2669 PRESSURE: 2346400 110.553 134.149 131.096 134.15 -59.6248 110.404 131.096 110.403 239 GPRESSURE: 2346400 138.49 56.6012 145.615 88.4512 -1.96802 168.795 157.064 192.777 258.233 PRESSAVG: 2346400 25.6571 20.6642 23.4814 20.6642 5.45603 0.979033 23.4814 0.979053 -1.36354 GPRESSAVG: 2346400 26.5927 21.0398 22.2039 20.3614 3.73092 -0.516029 25.1213 4.11971 -0.834362 TIMING: 2346400 CPU: 7413.77, 0.00315875/step Wall: 7413.77, 0.00315875/step, 2.32835 hours remaining, 235.484375 MB of memory in use. ENERGY: 2346400 4083.1506 20500.4415 14477.5316 231.1319 -203232.8859 2917.4999 0.0000 0.0000 52104.7432 -108918.3872 299.4467 -161023.1303 -108559.6790 299.3022 96.6430 131.5853 761867.8098 9.9165 9.8298 PRESSURE: 2346600 274.766 -158.861 343.232 -158.862 -289.854 -120.651 343.231 -120.651 -132.275 GPRESSURE: 2346600 228.366 -179.699 336.317 -257.925 -191.065 -73.4179 321.559 -164.973 -103.397 PRESSAVG: 2346600 -0.233137 -2.25043 54.931 -2.25044 -9.91621 -19.7896 54.9311 -19.7896 -15.2005 GPRESSAVG: 2346600 -1.75518 -2.99954 56.5275 -2.598 -9.59808 -19.0954 54.7136 -21.8302 -13.7105 TIMING: 2346600 CPU: 7414.41, 0.00317622/step Wall: 7414.41, 0.00317622/step, 2.34105 hours remaining, 235.742188 MB of memory in use. ENERGY: 2346600 4049.3631 20581.2680 14429.0952 245.2217 -203225.4675 2711.2361 0.0000 0.0000 52382.1132 -108827.1702 301.0407 -161209.2834 -108470.8713 299.9821 -49.1209 -22.0322 761702.5310 -8.4499 -8.3546 PRESSURE: 2346800 136.443 217.381 49.0684 217.38 120.01 13.378 49.069 13.3777 332.575 GPRESSURE: 2346800 84.5805 239.745 61.0745 176.311 200.431 -139.51 -148.685 -37.545 374.182 PRESSAVG: 2346800 -12.1844 -28.1475 52.8246 -28.1476 21.2847 9.02993 52.8247 9.02995 -0.922888 GPRESSAVG: 2346800 -11.3461 -26.9396 51.8134 -28.081 20.9549 9.54918 52.0521 10.0044 -1.71162 TIMING: 2346800 CPU: 7415.04, 0.00316792/step Wall: 7415.04, 0.00316792/step, 2.33476 hours remaining, 235.742188 MB of memory in use. ENERGY: 2346800 4044.7089 20570.0541 14501.5220 236.2623 -203185.4706 2962.3971 0.0000 0.0000 51862.6372 -109007.8890 298.0553 -160870.5262 -108648.8239 299.9449 196.3429 219.7309 762561.7210 2.7258 2.6324 PRESSURE: 2347000 204.669 16.9087 -94.3568 16.9093 -355.976 -147.88 -94.357 -147.88 274.841 GPRESSURE: 2347000 115.91 159.309 -103.165 82.9787 -176.19 -164.426 -23.7935 -68.3173 289.275 PRESSAVG: 2347000 42.5201 -9.6227 24.9117 -9.62273 -62.0941 -24.8222 24.9117 -24.8222 19.3251 GPRESSAVG: 2347000 41.0531 -9.08068 23.8544 -10.7791 -60.8299 -25.6132 24.3053 -25.4045 19.7663 TIMING: 2347000 CPU: 7415.67, 0.0031527/step Wall: 7415.67, 0.0031527/step, 2.32336 hours remaining, 235.742188 MB of memory in use. ENERGY: 2347000 3930.3581 20525.1319 14342.0899 243.4337 -202836.6737 2602.8699 0.0000 0.0000 52043.6213 -109149.1690 299.0954 -161192.7902 -108790.4026 299.2686 41.1781 76.3315 762461.2356 -0.0829 -0.0035 PRESSURE: 2347200 -44.1719 -15.439 209.571 -15.4398 114.358 -8.89715 209.57 -8.89667 15.2181 GPRESSURE: 2347200 21.0347 -24.0981 147.572 -31.1171 113.438 -9.81601 132.697 88.9649 32.4309 PRESSAVG: 2347200 -24.5689 23.2441 49.4812 23.2442 -17.5226 -36.2081 49.4813 -36.2082 -2.89496 GPRESSAVG: 2347200 -23.204 22.3105 49.0176 25.1693 -18.0517 -35.3927 51.089 -35.427 -2.80103 TIMING: 2347200 CPU: 7416.31, 0.00317984/step Wall: 7416.31, 0.00317984/step, 2.34319 hours remaining, 235.742188 MB of memory in use. ENERGY: 2347200 3862.7933 20611.3916 14324.0336 249.3499 -203084.5684 2775.2719 0.0000 0.0000 51761.6618 -109500.0663 297.4750 -161261.7281 -109138.6629 299.0399 28.4681 55.6345 763499.0330 -14.9955 -14.6856 PRESSURE: 2347400 -5.92447 -31.9526 347.778 -31.9523 5.77109 223.084 347.778 223.085 83.8657 GPRESSURE: 2347400 -61.5887 91.5583 296.227 -13.364 129.333 194.366 343.309 136.503 104.275 PRESSAVG: 2347400 -7.00734 14.781 30.5968 14.781 -7.31506 -0.257495 30.5969 -0.257515 2.17755 GPRESSAVG: 2347400 -6.63718 16.22 32.0495 15.5355 -6.554 -0.888013 30.201 -0.476583 1.05049 TIMING: 2347400 CPU: 7416.95, 0.00318476/step Wall: 7416.95, 0.00318476/step, 2.34664 hours remaining, 235.742188 MB of memory in use. ENERGY: 2347400 3998.7992 20497.3500 14421.1135 254.1339 -203657.0839 2911.6962 0.0000 0.0000 52087.3900 -109486.6013 299.3469 -161573.9913 -109120.0924 299.0687 27.9041 57.3397 763536.7618 -4.0483 -4.0469 PRESSURE: 2347600 7.11783 45.107 72.6587 45.1071 -115.197 8.43879 72.6579 8.44061 -52.9283 GPRESSURE: 2347600 60.9996 70.5837 60.5766 95.2144 -144.354 -17.8136 -53.0852 -112.577 0.191745 PRESSAVG: 2347600 -0.33287 27.5444 8.84584 27.5444 -22.435 -17.4493 8.84576 -17.4493 16.1835 GPRESSAVG: 2347600 -0.0954173 26.9548 9.32528 27.1545 -23.6833 -17.1809 7.73916 -17.479 16.9487 TIMING: 2347600 CPU: 7417.58, 0.0031624/step Wall: 7417.58, 0.0031624/step, 2.32999 hours remaining, 235.742188 MB of memory in use. ENERGY: 2347600 3982.1633 20446.0128 14397.8248 253.7877 -203380.9931 2813.7076 0.0000 0.0000 52050.1691 -109437.3279 299.1330 -161487.4970 -109067.4109 299.2556 -53.6693 -27.7208 762488.1973 -2.1948 -2.2767 PRESSURE: 2347800 -94.0945 126.238 -44.6388 126.238 131.239 243.123 -44.6382 243.123 321.564 GPRESSURE: 2347800 -78.1706 -85.2719 44.5704 31.3805 134.852 182.159 -62.245 267.546 415.28 PRESSAVG: 2347800 46.2959 -6.89226 10.5985 -6.8923 -15.2123 -21.1928 10.5985 -21.1928 -21.1912 GPRESSAVG: 2347800 46.4372 -7.6802 10.8353 -6.82967 -14.8723 -22.1086 11.4356 -22.2646 -21.1202 TIMING: 2347800 CPU: 7418.21, 0.00314739/step Wall: 7418.21, 0.00314739/step, 2.31875 hours remaining, 235.742188 MB of memory in use. ENERGY: 2347800 4014.0719 20517.1639 14379.6073 253.2623 -203345.3983 2887.3683 0.0000 0.0000 51790.8456 -109503.0790 297.6427 -161293.9245 -109148.3728 298.5808 119.5697 157.3202 760485.6228 3.2975 3.4816 PRESSURE: 2348000 -93.7151 -61.0617 -67.091 -61.062 -206.546 121.355 -67.0912 121.354 125.476 GPRESSURE: 2348000 -95.8347 -135.065 -23.6382 -61.4446 -131.642 213.19 -53.205 6.13303 145.862 PRESSAVG: 2348000 -5.26214 -46.1253 96.4913 -46.1254 26.8102 22.405 96.4913 22.4051 -2.92715 GPRESSAVG: 2348000 -6.10546 -45.9911 96.2276 -47.1593 26.7276 21.7808 96.2177 23.8683 -2.12489 TIMING: 2348000 CPU: 7418.84, 0.00316077/step Wall: 7418.84, 0.00316077/step, 2.32844 hours remaining, 235.742188 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: 2348000 3904.0578 20509.7622 14429.3847 239.1969 -203312.1224 2728.3848 0.0000 0.0000 52181.2321 -109320.1039 299.8863 -161501.3360 -108957.2360 298.7412 -58.2620 -27.2049 762841.7790 6.2070 6.1658 PRESSURE: 2348200 -365.649 -66.3904 -89.5407 -66.3904 -58.4063 278.327 -89.5414 278.327 -45.2124 GPRESSURE: 2348200 -321.23 -80.4369 -62.8081 56.2101 -41.9945 241.518 -150.76 216.573 -28.873 PRESSAVG: 2348200 -34.6545 -35.2503 21.6421 -35.2504 1.94901 30.7234 21.6421 30.7235 6.76267 GPRESSAVG: 2348200 -33.875 -34.5729 21.4452 -35.4991 2.20161 32.8044 22.6922 27.446 6.09446 TIMING: 2348200 CPU: 7419.48, 0.0031914/step Wall: 7419.48, 0.0031914/step, 2.35082 hours remaining, 235.742188 MB of memory in use. ENERGY: 2348200 4069.1332 20398.2244 14395.6750 278.2340 -203499.5965 2707.3411 0.0000 0.0000 52094.4264 -109556.5623 299.3874 -161650.9887 -109186.9478 299.0480 -156.4226 -130.6991 762739.7805 -8.6476 -8.5263 LDB: ============= START OF LOAD BALANCING ============== 7432.02 LDB: ============== END OF LOAD BALANCING =============== 7432.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7432.02 LDB: ============= START OF LOAD BALANCING ============== 7432.34 LDB: Largest compute 7057 load 0.030032 is 15.4% of average load 0.195451 LDB: Average compute 0.004387 is 2.2% of average load 0.195451 LDB: TIME 7432.34 LOAD: AVG 0.195451 MAX 0.215253 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.34 MB LDB: TIME 7432.34 LOAD: AVG 0.195451 MAX 0.215253 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.34 MB LDB: TIME 7432.34 LOAD: AVG 0.195451 MAX 0.215253 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.34 MB LDB: ============== END OF LOAD BALANCING =============== 7432.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7432.35 PRESSURE: 2348400 -9.63374 18.1533 74.0216 18.1531 35.1032 -136.366 74.0216 -136.366 -261.456 GPRESSURE: 2348400 22.0359 -2.03223 61.3033 21.8432 101.414 -160.416 139.071 -9.91284 -269.548 PRESSAVG: 2348400 3.9036 -27.9489 0.0856131 -27.9488 13.0446 -13.6984 0.0855824 -13.6984 -13.8596 GPRESSAVG: 2348400 4.36359 -27.1701 -1.50323 -27.4959 12.5755 -14.1421 -0.180531 -11.9986 -13.7828 TIMING: 2348400 CPU: 7420.13, 0.00326979/step Wall: 7420.13, 0.00326979/step, 2.40838 hours remaining, 237.242188 MB of memory in use. ENERGY: 2348400 4031.8180 20578.0505 14416.7463 222.9639 -203243.4621 2662.7813 0.0000 0.0000 52001.8740 -109329.2283 298.8555 -161331.1023 -108965.5937 298.9135 -78.6623 -48.6992 763267.9066 1.0295 1.0521 PRESSURE: 2348600 -14.7376 -53.7029 -157.329 -53.7041 -4.46457 -355.636 -157.33 -355.637 29.3059 GPRESSURE: 2348600 10.9837 61.9522 -222.704 -141.085 37.1231 -368.483 -144.611 -319.65 44.4682 PRESSAVG: 2348600 20.1121 13.865 0.78611 13.865 -35.5483 5.89285 0.78613 5.89285 13.2417 GPRESSAVG: 2348600 19.0763 14.5707 2.01599 13.0841 -34.2928 4.95932 -0.095104 6.07208 12.8645 TIMING: 2348600 CPU: 7420.76, 0.00316446/step Wall: 7420.76, 0.00316446/step, 2.33063 hours remaining, 237.312500 MB of memory in use. ENERGY: 2348600 3947.2477 20742.4816 14441.8909 218.7745 -203528.3415 2890.2783 0.0000 0.0000 51987.2740 -109300.3944 298.7716 -161287.6684 -108949.1181 299.3899 3.3679 30.8584 761423.8885 -0.7315 -0.7840 PRESSURE: 2348800 161.766 152.292 -126.544 152.293 163.832 -70.6134 -126.544 -70.6133 -0.0845408 GPRESSURE: 2348800 149.253 159.092 -125.001 114.694 209.052 8.8253 -67.8306 -119.604 55.3195 PRESSAVG: 2348800 12.0742 7.21601 15.3357 7.21601 -10.6272 -23.3586 15.3356 -23.3585 -15.8307 GPRESSAVG: 2348800 12.6233 5.46456 15.6595 8.10175 -12.2768 -23.441 15.6038 -21.9833 -14.9867 TIMING: 2348800 CPU: 7421.4, 0.00316755/step Wall: 7421.4, 0.00316755/step, 2.33273 hours remaining, 237.312500 MB of memory in use. ENERGY: 2348800 3963.5810 20533.4778 14424.4323 240.2521 -203575.6695 3026.9871 0.0000 0.0000 52099.9604 -109286.9789 299.4192 -161386.9393 -108924.3498 299.5501 108.5046 137.8748 761774.8285 -4.7946 -4.8801 PRESSURE: 2349000 30.0887 -118.021 -5.05152 -118.021 -1.22538 144.088 -5.05095 144.088 -191.989 GPRESSURE: 2349000 151.029 -99.9884 48.3507 -181.275 -6.2822 227.834 64.9177 47.5632 -226.687 PRESSAVG: 2349000 7.29006 -39.25 -8.98346 -39.2499 -33.1261 -44.0717 -8.98345 -44.0717 10.4356 GPRESSAVG: 2349000 7.12087 -37.3461 -10.304 -40.3567 -31.4203 -44.0724 -8.20648 -46.0965 8.45891 TIMING: 2349000 CPU: 7422.03, 0.00315524/step Wall: 7422.03, 0.00315524/step, 2.32348 hours remaining, 237.312500 MB of memory in use. ENERGY: 2349000 4046.2800 20593.6665 14469.0352 249.9497 -203337.5524 2821.5237 0.0000 0.0000 51973.2600 -109183.8373 298.6910 -161157.0973 -108831.6256 299.4039 -54.3752 -27.3131 762644.5125 -5.1335 -5.2802 PRESSURE: 2349200 275.102 54.6316 -78.6833 54.6313 72.4877 -55.7942 -78.6829 -55.795 -35.7085 GPRESSURE: 2349200 300.439 107.452 -97.1474 125.542 103.063 30.2607 -175.063 -95.42 -21.5198 PRESSAVG: 2349200 24.3326 55.435 48.5713 55.4349 -6.67284 6.14534 48.5712 6.14531 -12.6441 GPRESSAVG: 2349200 23.6431 53.1503 48.8546 55.6018 -7.27624 6.89654 49.3426 5.02541 -11.6003 TIMING: 2349200 CPU: 7422.66, 0.0031501/step Wall: 7422.66, 0.0031501/step, 2.31952 hours remaining, 237.312500 MB of memory in use. ENERGY: 2349200 4030.8877 20616.2154 14428.7103 237.8045 -203942.6944 3052.6390 0.0000 0.0000 52218.6282 -109357.8093 300.1012 -161576.4375 -109012.0331 299.3012 103.9605 127.3273 761286.0293 1.6719 1.5889 PRESSURE: 2349400 -483.355 -30.609 23.5923 -30.6078 75.9295 256.339 23.5929 256.339 -233.261 GPRESSURE: 2349400 -454.186 84.7384 15.8762 -117.934 206.831 199.501 -21.8908 226.771 -325.576 PRESSAVG: 2349400 35.9553 2.53693 3.27941 2.53693 -41.7753 6.1171 3.27946 6.11704 -1.45715 GPRESSAVG: 2349400 37.0086 2.66168 3.35362 2.39048 -42.9305 6.67011 0.0883595 8.61917 -1.66716 TIMING: 2349400 CPU: 7423.29, 0.00313156/step Wall: 7423.29, 0.00313156/step, 2.3057 hours remaining, 237.312500 MB of memory in use. ENERGY: 2349400 4032.9578 20610.9415 14415.5526 235.9331 -203445.9102 2570.4241 0.0000 0.0000 52242.1113 -109337.9898 300.2361 -161580.1011 -108971.2185 299.5148 -213.5623 -190.9770 763167.8501 -2.4257 -2.5297 PRESSURE: 2349600 -100.055 -60.1073 -168.254 -60.1084 -186.774 -110.743 -168.254 -110.743 -404.394 GPRESSURE: 2349600 -58.4563 -105.873 -186.129 -50.8737 -147.937 -146.229 -211.547 -7.4058 -392.604 PRESSAVG: 2349600 29.57 0.737259 -0.26113 0.737202 -6.88492 -25.66 -0.261217 -25.66 3.59178 GPRESSAVG: 2349600 28.8274 1.40573 -0.562613 1.65263 -6.80377 -25.9063 1.29189 -27.9734 4.63611 TIMING: 2349600 CPU: 7423.92, 0.00315697/step Wall: 7423.92, 0.00315697/step, 2.32423 hours remaining, 237.312500 MB of memory in use. ENERGY: 2349600 4160.2391 20585.9662 14479.9951 269.2263 -204127.8443 2988.8986 0.0000 0.0000 52191.3182 -109452.2009 299.9442 -161643.5191 -109093.1420 300.0047 -230.4078 -199.6659 761606.1216 8.7590 8.8866 PRESSURE: 2349800 24.5663 106.908 -229.783 106.907 -73.5293 60.8364 -229.783 60.8368 -433.567 GPRESSURE: 2349800 72.9469 170.529 -166.561 3.57632 -65.4991 57.7311 -136.773 82.4382 -415.497 PRESSAVG: 2349800 65.2305 14.5623 14.7597 14.5623 -58.4526 0.896225 14.7597 0.896316 0.0380255 GPRESSAVG: 2349800 64.2386 14.9018 16.5991 13.5466 -57.417 0.158518 14.9825 1.25751 -0.11619 TIMING: 2349800 CPU: 7424.55, 0.00314815/step Wall: 7424.55, 0.00314815/step, 2.31756 hours remaining, 237.312500 MB of memory in use. ENERGY: 2349800 4037.2195 20688.9237 14449.3874 217.5350 -203646.7611 2728.8478 0.0000 0.0000 51927.1239 -109597.7238 298.4259 -161524.8477 -109241.6246 299.1263 -160.8434 -136.0164 761955.7395 2.2720 2.2351 PRESSURE: 2350000 -75.1046 146.018 188.079 146.018 -212.464 -21.4216 188.079 -21.422 -237.095 GPRESSURE: 2350000 7.24732 84.053 145.645 152.516 -174.397 15.9226 186.076 -29.0847 -273.464 PRESSAVG: 2350000 42.738 39.6193 -8.2071 39.6192 -9.65013 -2.65985 -8.20709 -2.65987 14.9004 GPRESSAVG: 2350000 44.6693 37.7229 -9.77151 41.2707 -11.2235 -1.34104 -7.64093 -2.88537 14.0669 TIMING: 2350000 CPU: 7425.18, 0.00315937/step Wall: 7425.18, 0.00315937/step, 2.32565 hours remaining, 237.312500 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: 2350000 3949.0442 20412.6500 14484.1441 263.2540 -203418.0054 2425.6590 0.0000 0.0000 52184.4503 -109698.8038 299.9048 -161883.2541 -109332.3773 298.4831 -174.8877 -146.8715 760836.4345 15.9961 15.8376 PRESSURE: 2350200 -2.99677 -1.22998 -8.83982 -1.22937 -132.086 -7.90296 -8.8401 -7.90267 21.4561 GPRESSURE: 2350200 46.9995 159.622 10.2617 -116.189 -183.079 -79.1293 23.7439 64.1311 105.462 PRESSAVG: 2350200 59.1833 17.9296 -3.75259 17.9296 -53.7965 -37.9612 -3.75264 -37.9611 -3.28079 GPRESSAVG: 2350200 59.2721 20.4241 -4.78482 15.2074 -53.8781 -39.739 -1.50416 -36.4455 -2.84332 TIMING: 2350200 CPU: 7425.81, 0.00316618/step Wall: 7425.81, 0.00316618/step, 2.33048 hours remaining, 237.312500 MB of memory in use. ENERGY: 2350200 3958.3736 20387.8963 14460.3868 257.6592 -203468.4240 2818.5907 0.0000 0.0000 51891.8814 -109693.6360 298.2234 -161585.5174 -109320.6080 298.1647 -37.8756 -10.2059 762537.6628 0.7020 0.8502 PRESSURE: 2350400 -131.134 -126.823 183.175 -126.824 309.252 -23.0438 183.176 -23.0435 12.9118 GPRESSURE: 2350400 -54.1865 -176.338 162.517 6.5731 357.208 12.69 -22.3785 59.4433 -4.45376 PRESSAVG: 2350400 18.1038 -6.65461 -11.0749 -6.65462 -75.2479 -13.2696 -11.0749 -13.2696 -4.77625 GPRESSAVG: 2350400 18.4272 -8.51868 -8.26674 -4.62645 -75.9967 -13.3114 -14.5281 -14.8619 -4.06051 TIMING: 2350400 CPU: 7426.44, 0.00316679/step Wall: 7426.44, 0.00316679/step, 2.33076 hours remaining, 237.312500 MB of memory in use. ENERGY: 2350400 4041.8087 20449.1417 14453.8384 265.9210 -203763.9687 3059.0502 0.0000 0.0000 52049.7849 -109444.4239 299.1308 -161494.2088 -109091.1981 298.7122 63.6767 99.5227 760349.0794 -20.6401 -20.5433 PRESSURE: 2350600 395.238 -26.9273 -148.996 -26.9274 237.754 -70.0283 -148.995 -70.0296 151.933 GPRESSURE: 2350600 433.907 45.0299 -81.4108 -44.0037 287.554 -62.7285 -138.629 -64.3388 138.163 PRESSAVG: 2350600 -9.48357 12.7812 -32.4616 12.7812 -26.6432 -23.9494 -32.4616 -23.9494 -30.8658 GPRESSAVG: 2350600 -10.3795 13.1447 -32.5554 12.7714 -24.1804 -23.9941 -32.2371 -23.6167 -32.0624 TIMING: 2350600 CPU: 7427.08, 0.00315741/step Wall: 7427.08, 0.00315741/step, 2.32368 hours remaining, 237.312500 MB of memory in use. ENERGY: 2350600 4030.2438 20493.6785 14439.2535 252.5374 -203519.1240 3201.5877 0.0000 0.0000 51684.5112 -109417.3118 297.0316 -161101.8230 -109059.4302 299.2270 261.6415 286.5413 761334.5765 -22.3309 -22.2074 PRESSURE: 2350800 -18.9761 82.7603 -80.1658 82.7597 57.8068 145.818 -80.1661 145.819 77.1672 GPRESSURE: 2350800 59.1381 20.9648 -32.3013 97.6799 44.0407 97.5907 -130.812 169.642 84.3758 PRESSAVG: 2350800 58.1669 36.6786 -48.2998 36.6786 -76.9236 -3.69931 -48.2998 -3.69931 -43.6189 GPRESSAVG: 2350800 57.2691 38.0647 -48.4638 36.324 -77.5471 -3.00218 -48.9972 -4.75836 -42.412 TIMING: 2350800 CPU: 7427.71, 0.003157/step Wall: 7427.71, 0.003157/step, 2.3232 hours remaining, 237.312500 MB of memory in use. ENERGY: 2350800 4004.2401 20503.5606 14331.8092 245.3556 -203331.6844 2887.3762 0.0000 0.0000 52389.8214 -108969.5214 301.0850 -161359.3428 -108600.5917 299.3322 38.6659 62.5182 763216.2660 -20.7919 -20.8967 PRESSURE: 2351000 309.724 368.921 -10.5466 368.922 6.81284 311.485 -10.547 311.487 -62.6076 GPRESSURE: 2351000 331.515 345.343 28.898 349.036 40.0154 234.674 -40.7525 336.685 -41.8136 PRESSAVG: 2351000 -9.21718 37.5556 43.8879 37.5556 20.5462 -13.4848 43.8878 -13.4847 -2.42455 GPRESSAVG: 2351000 -8.64166 38.0789 43.6172 37.533 20.6036 -13.9769 44.3882 -13.0094 -3.23814 TIMING: 2351000 CPU: 7428.34, 0.00316687/step Wall: 7428.34, 0.00316687/step, 2.33029 hours remaining, 237.312500 MB of memory in use. ENERGY: 2351000 4016.5709 20660.8758 14491.5312 252.0097 -203547.2563 2864.4150 0.0000 0.0000 52028.8552 -109232.9986 299.0105 -161261.8537 -108879.5077 299.9084 84.6431 109.9055 761469.9264 2.9682 2.9079 PRESSURE: 2351200 329.782 96.0421 -40.3181 96.043 -346.305 -117.917 -40.3184 -117.917 -328.604 GPRESSURE: 2351200 218.929 85.5692 -13.4467 227.942 -155.762 -173.014 -140.198 -117.484 -322.258 PRESSAVG: 2351200 79.3178 -12.6343 -25.7582 -12.6342 -75.1475 -28.0017 -25.7582 -28.0017 -0.801416 GPRESSAVG: 2351200 78.559 -14.7792 -25.3927 -11.7182 -73.4228 -28.0949 -25.0951 -28.0887 -1.12562 TIMING: 2351200 CPU: 7428.97, 0.00315569/step Wall: 7428.97, 0.00315569/step, 2.32188 hours remaining, 237.312500 MB of memory in use. ENERGY: 2351200 3998.7731 20603.6960 14428.0298 239.0627 -203398.1329 2558.0262 0.0000 0.0000 52296.3655 -109274.1794 300.5479 -161570.5450 -108916.9721 299.6224 -115.0426 -86.3638 762219.8583 1.1229 1.3369 PRESSURE: 2351400 -319.868 -143.941 -131.267 -143.941 146.916 -106.792 -131.267 -106.791 -45.5536 GPRESSURE: 2351400 -257.236 -41.0955 -94.0987 -50.803 127.254 -157.199 -43.535 -95.3921 -9.06787 PRESSAVG: 2351400 44.8135 13.2104 -28.3586 13.2104 -14.7936 -26.3243 -28.3586 -26.3243 24.8549 GPRESSAVG: 2351400 45.0597 15.5906 -27.3118 11.8336 -16.6375 -25.834 -28.7352 -26.1188 26.367 TIMING: 2351400 CPU: 7429.6, 0.00313786/step Wall: 7429.6, 0.00313787/step, 2.3086 hours remaining, 237.312500 MB of memory in use. ENERGY: 2351400 4020.2254 20581.3107 14421.6639 244.4569 -203217.0045 2738.0131 0.0000 0.0000 52087.2841 -109124.0504 299.3463 -161211.3345 -108765.0157 299.5373 -72.8352 -46.3501 762950.8701 18.2916 18.2631 PRESSURE: 2351600 -95.0941 -72.9573 7.82342 -72.9575 -80.2202 -155.229 7.82338 -155.23 404.684 GPRESSURE: 2351600 12.9918 -135.559 10.7909 -93.6136 -85.1459 -256.466 -29.1063 -80.1785 380.478 PRESSAVG: 2351600 -7.06814 53.9756 -27.9938 53.9756 -21.6475 -37.7479 -27.9938 -37.748 -12.6375 GPRESSAVG: 2351600 -4.86647 54.0165 -30.2775 54.5087 -21.2868 -36.5951 -27.6291 -38.9572 -14.8569 TIMING: 2351600 CPU: 7430.23, 0.00315849/step Wall: 7430.23, 0.00315849/step, 2.32359 hours remaining, 237.312500 MB of memory in use. ENERGY: 2351600 4004.5118 20701.0879 14407.8326 266.9120 -203195.9562 2611.9290 0.0000 0.0000 52062.3277 -109141.3552 299.2029 -161203.6830 -108792.8508 299.7784 76.4565 102.7747 763218.0719 -13.7844 -13.6701 PRESSURE: 2351800 173.283 2.93498 -136.231 2.93495 353.392 -73.5678 -136.231 -73.5679 -313.164 GPRESSURE: 2351800 116.258 50.3496 -119.439 -34.1814 387.856 -24.3337 -110.032 -22.6768 -236.625 PRESSAVG: 2351800 36.2441 -2.29572 -8.6288 -2.29575 -64.0224 -72.4374 -8.62879 -72.4373 -3.40563 GPRESSAVG: 2351800 35.232 -4.78931 -8.09334 -1.68925 -64.4916 -73.1556 -7.25826 -71.2704 -2.22406 TIMING: 2351800 CPU: 7430.87, 0.00318317/step Wall: 7430.87, 0.00318317/step, 2.34158 hours remaining, 237.312500 MB of memory in use. ENERGY: 2351800 3907.1647 20553.9640 14387.1719 248.9678 -203197.0120 2785.7357 0.0000 0.0000 52107.8696 -109206.1384 299.4646 -161314.0080 -108834.5165 299.7953 71.1706 89.1626 762860.8050 -10.3947 -10.4946 PRESSURE: 2352000 64.5198 -37.3829 96.4071 -37.3833 -373.994 295.171 96.4071 295.169 120.709 GPRESSURE: 2352000 38.1598 -221.54 47.3768 -40.8663 -286.031 344.227 4.98388 167.694 128.974 PRESSAVG: 2352000 41.2107 -17.842 -11.6757 -17.8419 -32.9693 -43.1485 -11.6756 -43.1484 13.9895 GPRESSAVG: 2352000 40.6766 -15.0518 -11.9802 -21.469 -32.4731 -43.1895 -13.206 -44.6064 13.7159 TIMING: 2352000 CPU: 7431.51, 0.0031895/step Wall: 7431.51, 0.00318951/step, 2.34606 hours remaining, 237.312500 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: 2352000 3980.3843 20499.7307 14400.8213 255.4772 -203163.9017 2540.9524 0.0000 0.0000 52076.4020 -109410.1337 299.2838 -161486.5357 -109048.1697 299.1430 -62.9218 -39.6325 762100.6077 7.4103 7.3065 PRESSURE: 2352200 -22.9969 -103.257 149.377 -103.257 53.4725 79.1312 149.377 79.1305 -494.929 GPRESSURE: 2352200 15.9567 -214.47 -22.6248 -9.13385 117.286 74.8358 83.4009 179.538 -491.409 PRESSAVG: 2352200 62.5594 -37.4101 1.65903 -37.4101 -18.8746 -21.8064 1.65905 -21.8064 10.4726 GPRESSAVG: 2352200 62.6413 -38.3837 1.47182 -33.3465 -17.1715 -23.7956 1.9967 -21.1709 9.12449 TIMING: 2352200 CPU: 7432.14, 0.00317514/step Wall: 7432.14, 0.00317514/step, 2.33531 hours remaining, 237.312500 MB of memory in use. ENERGY: 2352200 3945.4513 20546.5721 14402.9262 264.1838 -203232.5289 2559.9126 0.0000 0.0000 52082.3701 -109431.1129 299.3181 -161513.4829 -109065.6168 299.3186 -154.8178 -119.3886 761522.6242 18.0524 18.1981 LDB: ============= START OF LOAD BALANCING ============== 7444.68 LDB: ============== END OF LOAD BALANCING =============== 7444.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7444.68 LDB: ============= START OF LOAD BALANCING ============== 7444.99 LDB: Largest compute 7076 load 0.031788 is 16.3% of average load 0.195528 LDB: Average compute 0.004392 is 2.2% of average load 0.195528 LDB: TIME 7445 LOAD: AVG 0.195528 MAX 0.214396 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.785 MB LDB: TIME 7445 LOAD: AVG 0.195528 MAX 0.214396 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: TIME 7445 LOAD: AVG 0.195528 MAX 0.214396 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.988 MB LDB: ============== END OF LOAD BALANCING =============== 7445 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7445 PRESSURE: 2352400 -131.748 -59.6669 -50.436 -59.6667 -135.982 36.6912 -50.4354 36.6901 32.8697 GPRESSURE: 2352400 -72.8862 -151.21 -121.455 -42.4725 -109.635 31.1227 13.0428 109.436 43.7625 PRESSAVG: 2352400 -11.6964 17.0237 -20.8116 17.0237 -15.5888 -34.4627 -20.8116 -34.4627 -13.5986 GPRESSAVG: 2352400 -11.0411 17.0481 -20.1578 15.4623 -17.1179 -33.749 -20.8946 -33.6062 -12.4743 TIMING: 2352400 CPU: 7432.79, 0.00323379/step Wall: 7432.79, 0.00323379/step, 2.37827 hours remaining, 236.222656 MB of memory in use. ENERGY: 2352400 3917.8764 20687.8668 14396.1553 253.1570 -203284.1451 2397.7796 0.0000 0.0000 52044.8448 -109586.4652 299.1024 -161631.3100 -109223.2782 298.8789 -78.2868 -46.2528 762061.4696 -13.6279 -13.5444 PRESSURE: 2352600 140.445 -83.2348 -128.14 -83.2356 -97.287 237.381 -128.14 237.38 188.803 GPRESSURE: 2352600 102.491 -137.407 -141.471 119.367 46.0024 174.966 -86.2637 204.362 157.008 PRESSAVG: 2352600 18.5893 22.9994 -43.7363 22.9994 21.7935 -3.39245 -43.7363 -3.39244 6.28049 GPRESSAVG: 2352600 19.0295 23.1439 -43.0225 24.4958 20.9228 -3.11421 -44.5146 -4.81317 6.50066 TIMING: 2352600 CPU: 7433.42, 0.00315128/step Wall: 7433.42, 0.00315128/step, 2.31741 hours remaining, 236.496094 MB of memory in use. ENERGY: 2352600 4010.2106 20556.3412 14443.6159 257.5228 -203321.7497 2469.7148 0.0000 0.0000 52043.9744 -109540.3699 299.0974 -161584.3443 -109166.9245 298.9827 77.3201 101.8338 761028.3849 15.5544 15.4843 PRESSURE: 2352800 -24.2416 209.558 185.623 209.558 229.447 11.6333 185.623 11.6329 298.012 GPRESSURE: 2352800 55.8195 225.863 239.199 103.658 220.783 -9.4365 78.1483 88.0369 282.935 PRESSAVG: 2352800 -9.16975 40.1729 -16.3389 40.1729 11.3301 12.9963 -16.3389 12.9963 -10.8208 GPRESSAVG: 2352800 -9.91658 41.617 -15.8511 39.0117 10.933 14.033 -17.534 14.8033 -9.87661 TIMING: 2352800 CPU: 7434.05, 0.00315967/step Wall: 7434.05, 0.00315967/step, 2.32341 hours remaining, 236.496094 MB of memory in use. ENERGY: 2352800 3995.1610 20563.5294 14442.4259 240.8967 -203966.7264 3352.9897 0.0000 0.0000 51929.1701 -109442.5536 298.4377 -161371.7237 -109076.2876 299.3194 167.7393 186.5127 761455.4143 -2.8868 -2.9534 PRESSURE: 2353000 -326.739 129.462 8.27986 129.462 -58.1995 -104.391 8.28001 -104.391 -531.23 GPRESSURE: 2353000 -323.194 22.6171 25.3652 129.696 19.103 -95.6095 100.345 -212.921 -546.007 PRESSAVG: 2353000 -7.26628 58.4558 -9.64171 58.4559 -13.7433 3.76126 -9.64175 3.7612 2.08502 GPRESSAVG: 2353000 -8.05612 56.6192 -10.6306 59.2046 -11.9156 3.81057 -6.5939 3.70834 1.25502 TIMING: 2353000 CPU: 7434.68, 0.00316422/step Wall: 7434.68, 0.00316422/step, 2.32658 hours remaining, 236.496094 MB of memory in use. ENERGY: 2353000 3957.7314 20612.6700 14507.2140 249.9757 -203179.5768 2531.0373 0.0000 0.0000 52232.7629 -109088.1855 300.1824 -161320.9484 -108725.0359 299.6144 -305.3894 -283.3661 762963.4901 -6.3082 -6.2389 PRESSURE: 2353200 -237.396 -0.186697 -149.508 -0.187482 -35.0021 -185.69 -149.508 -185.691 134.684 GPRESSURE: 2353200 -95.1803 7.37014 -179.831 -39.1092 -80.3253 -122.298 -167.033 -150.292 136.063 PRESSAVG: 2353200 -46.9651 32.8103 10.0777 32.8104 50.145 -58.5522 10.0777 -58.5522 -21.6745 GPRESSAVG: 2353200 -44.9142 34.1761 9.97546 30.6233 48.0775 -58.2431 8.02929 -59.9547 -21.4125 TIMING: 2353200 CPU: 7435.31, 0.00314034/step Wall: 7435.31, 0.00314034/step, 2.30885 hours remaining, 236.496094 MB of memory in use. ENERGY: 2353200 4011.5502 20488.0514 14442.6300 239.2848 -202879.5477 2618.2259 0.0000 0.0000 52168.5568 -108911.2486 299.8134 -161079.8054 -108555.0520 299.7559 -45.9047 -13.1474 764442.1455 -6.1648 -6.0831 PRESSURE: 2353400 -89.7946 -28.6062 36.5595 -28.6068 -309.369 -201.961 36.5591 -201.961 116.372 GPRESSURE: 2353400 4.16121 -5.59534 72.2812 -48.0771 -257.707 -185.211 123.918 -140.869 48.1818 PRESSAVG: 2353400 -27.5525 6.46216 -15.9198 6.46221 37.6436 -46.391 -15.9198 -46.391 19.7647 GPRESSAVG: 2353400 -28.1763 6.08569 -14.6643 7.50216 37.8331 -47.4307 -15.1994 -46.0486 19.5666 TIMING: 2353400 CPU: 7435.94, 0.00314885/step Wall: 7435.94, 0.00314885/step, 2.31493 hours remaining, 236.496094 MB of memory in use. ENERGY: 2353400 3954.1688 20489.7034 14451.4369 246.8902 -202759.2242 2482.1378 0.0000 0.0000 52370.2899 -108764.5972 300.9728 -161134.8871 -108391.4927 300.1162 -94.2639 -68.4548 763222.8591 9.9520 9.7411 PRESSURE: 2353600 286.986 49.9186 213.142 49.9183 56.1648 15.6011 213.142 15.6017 -300.368 GPRESSURE: 2353600 323.142 35.9686 155.272 -11.9641 91.5442 3.82703 150.666 -78.7884 -281.944 PRESSAVG: 2353600 -34.7379 31.015 31.7443 31.015 81.2313 -56.9466 31.7443 -56.9465 -3.07618 GPRESSAVG: 2353600 -36.2826 30.8898 31.3538 32.5303 81.155 -56.993 32.7074 -56.5824 -2.21103 TIMING: 2353600 CPU: 7436.57, 0.00314406/step Wall: 7436.57, 0.00314406/step, 2.31123 hours remaining, 236.640625 MB of memory in use. ENERGY: 2353600 4011.8389 20600.0986 14442.3940 241.9027 -203273.9018 2706.3656 0.0000 0.0000 52559.2943 -108712.0077 302.0590 -161271.3020 -108345.6397 300.5114 14.2607 44.2473 762024.0612 14.4724 14.2205 PRESSURE: 2353800 -22.1642 -305.589 174.402 -305.589 -136.206 -86.5129 174.402 -86.5131 -321.917 GPRESSURE: 2353800 59.3628 -207.573 232.182 -211.145 -191.403 -60.0412 76.5465 -138.967 -273.749 PRESSAVG: 2353800 7.65985 -14.8795 27.1209 -14.8795 7.81618 -52.744 27.1209 -52.744 10.3406 GPRESSAVG: 2353800 8.33974 -14.1526 25.1844 -14.0261 7.63508 -50.8433 26.9187 -53.724 9.587 TIMING: 2353800 CPU: 7437.2, 0.00314987/step Wall: 7437.2, 0.00314987/step, 2.31533 hours remaining, 236.640625 MB of memory in use. ENERGY: 2353800 3934.5370 20493.6377 14364.2963 223.2049 -202675.9760 2307.5949 0.0000 0.0000 52515.4359 -108837.2692 301.8069 -161352.7051 -108479.2641 300.6273 -160.0958 -135.2633 763755.2989 8.6055 8.5206 PRESSURE: 2354000 242.594 92.6651 70.4236 92.6657 -243.51 76.5397 70.4232 76.5401 182.593 GPRESSURE: 2354000 163.412 88.4719 74.2981 63.3429 -123.86 98.6511 11.0626 142.939 217.146 PRESSAVG: 2354000 80.7359 -16.3688 -36.2843 -16.3687 -73.8754 -38.582 -36.2843 -38.582 36.9919 GPRESSAVG: 2354000 80.3125 -16.6311 -33.6022 -17.0274 -73.7657 -37.703 -37.5023 -40.0669 37.1144 TIMING: 2354000 CPU: 7437.83, 0.00316757/step Wall: 7437.83, 0.00316757/step, 2.32816 hours remaining, 236.640625 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: 2354000 3989.5106 20504.4164 14475.2170 260.2964 -203222.3240 2911.8277 0.0000 0.0000 52106.9558 -108974.1002 299.4594 -161081.0560 -108614.9202 299.8178 60.5588 85.5661 763610.6843 14.6174 14.5537 PRESSURE: 2354200 124.184 17.7998 127.291 17.7987 133.47 21.2631 127.292 21.263 -67.9493 GPRESSURE: 2354200 212.574 -29.0411 88.3932 30.2602 167.56 71.7564 189.691 54.8119 -94.872 PRESSAVG: 2354200 6.3695 27.1507 -8.48755 27.1507 -48.6386 -34.6325 -8.48756 -34.6326 -25.8874 GPRESSAVG: 2354200 5.77006 26.8922 -8.42022 25.2265 -49.4105 -36.6004 -8.70036 -32.8956 -24.8326 TIMING: 2354200 CPU: 7438.46, 0.00315164/step Wall: 7438.46, 0.00315164/step, 2.31628 hours remaining, 236.640625 MB of memory in use. ENERGY: 2354200 3951.7349 20410.6163 14375.0886 262.6679 -202841.4091 2534.0981 0.0000 0.0000 52372.4654 -108934.7379 300.9853 -161307.2033 -108565.5728 299.5196 63.2349 95.0873 764365.7290 -22.7188 -22.8244 PRESSURE: 2354400 -374.817 -50.9925 -99.4338 -50.9917 -303.722 -39.5595 -99.433 -39.5588 -257.777 GPRESSURE: 2354400 -260.449 34.9322 -136.624 -143.314 -309.595 -86.6737 -22.0295 -63.6698 -269.819 PRESSAVG: 2354400 39.1887 49.8311 22.3031 49.831 -16.5678 4.23468 22.3031 4.23472 8.56259 GPRESSAVG: 2354400 39.9754 49.3046 21.4489 50.1299 -16.7785 3.85738 23.5101 3.60489 8.39001 TIMING: 2354400 CPU: 7439.09, 0.00313259/step Wall: 7439.09, 0.00313259/step, 2.30211 hours remaining, 236.640625 MB of memory in use. ENERGY: 2354400 3938.6878 20512.5761 14440.3460 241.8300 -202762.1506 2417.3290 0.0000 0.0000 51968.6021 -109242.7796 298.6643 -161211.3817 -108882.8813 299.3046 -312.1055 -279.9544 764384.5254 10.3945 10.5290 PRESSURE: 2354600 -175.372 -12.2229 -78.4125 -12.2242 -57.7333 -38.6348 -78.4121 -38.636 -160.802 GPRESSURE: 2354600 -132.883 -22.5618 -64.755 -36.8328 -26.4777 -43.665 -14.4141 -18.1241 -173.381 PRESSAVG: 2354600 -64.9624 -16.0108 30.8567 -16.0108 46.3824 6.51851 30.8567 6.5185 1.48773 GPRESSAVG: 2354600 -65.3336 -16.1095 30.0914 -15.0081 47.6948 7.18685 31.874 5.95565 1.14297 TIMING: 2354600 CPU: 7439.72, 0.00317172/step Wall: 7439.72, 0.00317172/step, 2.33068 hours remaining, 236.640625 MB of memory in use. ENERGY: 2354600 4003.2278 20516.0779 14473.4274 272.0984 -202408.3644 2263.0530 0.0000 0.0000 51701.5294 -109178.9505 297.1294 -160880.4799 -108808.2230 298.9685 -131.3022 -110.9139 765079.3112 -5.6974 -5.4986 PRESSURE: 2354800 -304.186 41.1376 426.503 41.1375 -345.077 252.582 426.502 252.583 -80.1339 GPRESSURE: 2354800 -270.14 90.0017 357.054 103.912 -324.458 310.797 312.501 176.639 -58.3852 PRESSAVG: 2354800 -8.83427 2.62409 28.1783 2.62413 -2.5755 -8.83652 28.1783 -8.83659 10.4984 GPRESSAVG: 2354800 -8.60532 1.8437 28.2338 2.77273 -2.74672 -9.06338 24.0147 -7.37006 10.0424 TIMING: 2354800 CPU: 7440.36, 0.00317241/step Wall: 7440.36, 0.00317241/step, 2.33102 hours remaining, 236.640625 MB of memory in use. ENERGY: 2354800 4082.9926 20438.6896 14459.0693 248.5153 -202804.0097 2463.2226 0.0000 0.0000 52197.2808 -108914.2396 299.9785 -161111.5204 -108549.3868 299.2144 -243.1323 -217.6614 764940.5676 -0.3038 -0.4365 PRESSURE: 2355000 -136.257 -54.3596 44.9577 -54.3591 -10.1551 -215.421 44.9574 -215.421 -73.3276 GPRESSURE: 2355000 -85.8508 -119.009 29.1926 53.0845 10.9777 -138.544 -0.00218955 -232.2 -63.3236 PRESSAVG: 2355000 -49.4432 -28.021 32.9364 -28.021 30.4644 23.5184 32.9364 23.5184 -7.53947 GPRESSAVG: 2355000 -49.3642 -25.4448 33.6886 -29.4713 31.0478 23.3086 33.8352 24.5287 -8.23628 TIMING: 2355000 CPU: 7440.99, 0.0031592/step Wall: 7440.99, 0.0031592/step, 2.32114 hours remaining, 236.640625 MB of memory in use. ENERGY: 2355000 4041.9480 20556.2636 14403.9383 250.9512 -203157.6926 2693.7071 0.0000 0.0000 52152.4195 -109058.4649 299.7207 -161210.8844 -108708.3239 299.6890 -73.2466 -46.0656 763268.1104 -8.8394 -8.8509 PRESSURE: 2355200 202.836 234.461 -388.234 234.461 -55.4814 -38.2928 -388.234 -38.2906 223.122 GPRESSURE: 2355200 264.907 193.814 -358.741 222.992 -13.3132 -171.558 -313.986 -75.4446 203.212 PRESSAVG: 2355200 30.4814 -47.21 39.665 -47.21 -8.23216 -50.3769 39.665 -50.3769 7.72926 GPRESSAVG: 2355200 29.7337 -48.5254 40.5617 -47.9428 -8.14817 -49.0465 39.8555 -52.7618 8.47729 TIMING: 2355200 CPU: 7441.62, 0.00315053/step Wall: 7441.62, 0.00315053/step, 2.31459 hours remaining, 236.640625 MB of memory in use. ENERGY: 2355200 3944.8251 20614.0243 14404.5463 241.0145 -203242.1106 3000.6531 0.0000 0.0000 52084.3785 -108952.6686 299.3296 -161037.0472 -108600.2709 299.3519 123.4922 151.6020 764793.8145 9.9928 10.0209 PRESSURE: 2355400 341.879 -76.2525 100.335 -76.2522 158.305 -82.3228 100.334 -82.3238 177.055 GPRESSURE: 2355400 335.525 -185.688 6.13955 -29.6954 181.879 -110.266 128.855 -71.8518 251.752 PRESSAVG: 2355400 -38.1159 -23.6278 37.3121 -23.6279 -2.63978 -95.2256 37.312 -95.2256 16.4349 GPRESSAVG: 2355400 -38.5418 -23.2329 37.6786 -21.7784 -3.35635 -97.7475 36.5719 -91.8486 17.4987 TIMING: 2355400 CPU: 7442.25, 0.00315434/step Wall: 7442.25, 0.00315434/step, 2.31721 hours remaining, 236.640625 MB of memory in use. ENERGY: 2355400 3939.2380 20426.4594 14482.9313 234.5805 -203145.0479 2809.3267 0.0000 0.0000 52088.7428 -109163.7691 299.3547 -161252.5119 -108799.3129 299.2667 225.7461 256.3852 764681.7866 -8.1069 -8.1331 PRESSURE: 2355600 148.35 137.429 62.4767 137.428 133.063 -54.0474 62.4772 -54.048 284.901 GPRESSURE: 2355600 130.171 127.98 19.1396 57.0042 195.62 -43.1866 -82.4117 -9.4797 324.177 PRESSAVG: 2355600 -26.3703 0.777894 4.85985 0.777877 16.847 -27.3253 4.85983 -27.3253 -8.12825 GPRESSAVG: 2355600 -25.3674 -0.0213013 1.84958 1.94936 16.4539 -26.1151 6.40469 -28.8275 -8.82499 TIMING: 2355600 CPU: 7442.88, 0.00315522/step Wall: 7442.88, 0.00315522/step, 2.31769 hours remaining, 236.640625 MB of memory in use. ENERGY: 2355600 3968.5658 20423.2176 14551.9714 245.0743 -203367.5172 3158.0263 0.0000 0.0000 51792.2777 -109228.3840 297.6509 -161020.6617 -108869.9767 299.1465 188.7712 216.6563 764990.0663 -5.8839 -5.9128 PRESSURE: 2355800 63.4933 92.5926 4.39161 92.5926 -40.4671 3.99683 4.39196 3.99571 357.053 GPRESSURE: 2355800 238.582 198.118 9.7598 -2.85475 -97.408 5.20779 -61.4898 -68.4665 322.298 PRESSAVG: 2355800 -1.31572 3.13381 -65.7142 3.13386 41.4401 -5.87988 -65.7142 -5.87991 19.2272 GPRESSAVG: 2355800 -0.625365 3.57662 -63.7825 0.0644037 42.0046 -6.21426 -66.8289 -6.40103 18.907 TIMING: 2355800 CPU: 7443.51, 0.00314099/step Wall: 7443.51, 0.003141/step, 2.30706 hours remaining, 236.640625 MB of memory in use. ENERGY: 2355800 3915.9971 20357.3226 14472.9730 241.2850 -203523.7702 3081.0470 0.0000 0.0000 52141.0815 -109314.0639 299.6555 -161455.1455 -108943.8125 298.7791 126.6931 154.4908 764618.7563 19.7838 20.0954 PRESSURE: 2356000 -33.017 -156.347 67.9721 -156.348 59.3085 -58.9273 67.9725 -58.9272 -270.692 GPRESSURE: 2356000 84.5125 -119.834 93.9204 -83.8675 68.1738 -80.0178 64.2563 36.7615 -302.811 PRESSAVG: 2356000 5.5213 -19.491 33.4082 -19.4911 -17.7778 -58.1798 33.4081 -58.1797 6.74096 GPRESSAVG: 2356000 5.35003 -18.7582 32.9636 -19.1327 -18.1488 -57.7037 35.3564 -59.0707 7.28047 TIMING: 2356000 CPU: 7444.14, 0.0031397/step Wall: 7444.14, 0.0031397/step, 2.30594 hours remaining, 236.640625 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: 2356000 4020.3969 20322.0406 14491.9563 273.6555 -203131.5932 2723.2432 0.0000 0.0000 51992.2230 -109308.0777 298.8000 -161300.3006 -108952.8036 298.5325 -81.4670 -50.0416 763034.1826 -1.8385 -1.8394 PRESSURE: 2356200 -204.879 109.385 -24.6804 109.386 -180.161 -132.99 -24.68 -132.991 119.589 GPRESSURE: 2356200 -184.787 -8.02072 -85.1376 62.2146 -103.593 -112.593 7.52161 -179.547 128.119 PRESSAVG: 2356200 -35.3664 -42.6082 -25.7226 -42.6083 38.8141 -21.5257 -25.7226 -21.5257 29.9746 GPRESSAVG: 2356200 -34.1769 -43.5426 -26.0768 -41.9849 38.8266 -22.517 -26.7006 -21.1011 29.1496 TIMING: 2356200 CPU: 7444.77, 0.00315761/step Wall: 7444.77, 0.00315761/step, 2.31891 hours remaining, 236.640625 MB of memory in use. ENERGY: 2356200 4007.1564 20358.5131 14471.7461 261.4052 -203042.2706 2798.8140 0.0000 0.0000 51872.8927 -109271.7432 298.1142 -161144.6358 -108915.2729 298.9788 -88.4837 -53.4204 764455.7382 11.1408 11.2664 LDB: ============= START OF LOAD BALANCING ============== 7457.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7457.3 LDB: =============== DONE WITH MIGRATION ================ 7457.31 LDB: ============= START OF LOAD BALANCING ============== 7457.62 LDB: Largest compute 7057 load 0.031205 is 16.0% of average load 0.195634 LDB: Average compute 0.004386 is 2.2% of average load 0.195634 LDB: TIME 7457.63 LOAD: AVG 0.195634 MAX 0.215769 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 7457.63 LOAD: AVG 0.195634 MAX 0.215769 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 7457.63 LOAD: AVG 0.195634 MAX 0.215769 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 7457.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7457.63 PRESSURE: 2356400 6.77578 142.638 -26.9647 142.638 76.7409 -28.7623 -26.9644 -28.7622 307.789 GPRESSURE: 2356400 37.8598 130.634 55.2521 130.286 115.702 -61.8554 65.9687 13.9521 326.401 PRESSAVG: 2356400 7.18335 -0.57927 -8.72325 -0.579288 -13.0242 -49.6084 -8.72331 -49.6084 9.32179 GPRESSAVG: 2356400 6.07071 0.602019 -7.13562 -0.22732 -13.3523 -48.8628 -10.6515 -49.7037 10.3797 TIMING: 2356400 CPU: 7445.42, 0.00323051/step Wall: 7445.42, 0.00323051/step, 2.37227 hours remaining, 236.683594 MB of memory in use. ENERGY: 2356400 3936.1888 20331.9328 14404.5889 249.0640 -203313.2423 2895.9452 0.0000 0.0000 52221.9012 -109273.6213 300.1200 -161495.5224 -108908.5228 298.4369 130.4352 159.9877 762605.3895 1.1603 1.0327 PRESSURE: 2356600 -346.953 197.661 206.841 197.661 -190.864 -15.6464 206.841 -15.6454 130.231 GPRESSURE: 2356600 -310.67 124.495 172.341 15.3587 -106.86 22.0765 226.699 -92.7775 109.235 PRESSAVG: 2356600 -18.3877 11.8102 2.54301 11.8102 58.867 -49.524 2.543 -49.5241 1.15464 GPRESSAVG: 2356600 -18.9404 10.2549 2.09226 11.6678 59.3196 -48.9525 4.80458 -48.781 1.86748 TIMING: 2356600 CPU: 7446.05, 0.00316204/step Wall: 7446.05, 0.00316204/step, 2.32181 hours remaining, 236.742188 MB of memory in use. ENERGY: 2356600 3934.9541 20571.5679 14467.3649 240.9668 -202848.9976 2479.9118 0.0000 0.0000 51774.1934 -109380.0387 297.5470 -161154.2321 -109021.8306 298.6234 -135.8622 -102.7649 763580.0242 13.8780 14.0822 PRESSURE: 2356800 29.8258 -56.0936 404.857 -56.0932 -132.969 103.695 404.857 103.695 -182.212 GPRESSURE: 2356800 60.5002 -13.3362 353.123 -169.753 -168.465 20.4576 383.608 78.5049 -92.6857 PRESSAVG: 2356800 -20.0326 28.2281 52.2691 28.2281 31.5839 1.15777 52.2691 1.15768 10.127 GPRESSAVG: 2356800 -19.601 30.5251 50.077 28.5224 31.3722 -0.365651 49.2337 -0.323047 9.43048 TIMING: 2356800 CPU: 7446.69, 0.00318266/step Wall: 7446.69, 0.00318266/step, 2.33678 hours remaining, 236.742188 MB of memory in use. ENERGY: 2356800 3923.3355 20328.6951 14514.2545 247.8904 -202970.7192 2687.0396 0.0000 0.0000 51886.7429 -109382.7612 298.1938 -161269.5041 -109022.3299 298.7499 -95.1186 -66.8836 765027.5846 7.2261 7.0672 PRESSURE: 2357000 70.8562 -79.8862 -351.534 -79.8867 -75.15 116.185 -351.534 116.186 -11.0689 GPRESSURE: 2357000 68.7053 -27.7638 -379.867 -45.4523 4.6005 52.8868 -233.671 221.232 -5.38046 PRESSAVG: 2357000 -17.6809 13.8263 24.7256 13.8263 11.9524 -27.3804 24.7256 -27.3804 -12.6639 GPRESSAVG: 2357000 -16.195 12.2249 26.0748 13.2084 11.5587 -26.4013 28.2239 -25.6364 -13.9674 TIMING: 2357000 CPU: 7447.32, 0.00316173/step Wall: 7447.32, 0.00316173/step, 2.32124 hours remaining, 236.742188 MB of memory in use. ENERGY: 2357000 3974.4004 20331.2467 14439.3634 262.8861 -202960.0329 2691.2930 0.0000 0.0000 51991.4599 -109269.3834 298.7956 -161260.8433 -108906.6691 298.6509 -5.1209 22.6418 765292.8178 -6.1308 -6.2012 PRESSURE: 2357200 -391.378 118.574 111.952 118.574 172.212 -195.028 111.951 -195.028 -70.8046 GPRESSURE: 2357200 -299.912 32.5257 92.7093 173.326 181.146 -185.311 142.246 -178.452 -105.276 PRESSAVG: 2357200 -6.63824 -17.033 -19.4085 -17.033 37.5179 -16.313 -19.4085 -16.3131 4.75889 GPRESSAVG: 2357200 -7.60317 -17.8858 -20.094 -17.9577 37.2084 -16.6304 -19.5048 -16.7008 6.02619 TIMING: 2357200 CPU: 7447.95, 0.00318218/step Wall: 7447.95, 0.00318218/step, 2.33607 hours remaining, 236.742188 MB of memory in use. ENERGY: 2357200 3948.8154 20494.1961 14566.9347 256.3834 -203169.2285 2793.1569 0.0000 0.0000 51817.7649 -109291.9771 297.7974 -161109.7420 -108938.7373 298.7990 -96.6568 -74.6805 763563.6442 11.8795 11.8771 PRESSURE: 2357400 65.1552 -85.0864 51.4165 -85.0871 31.7774 50.3408 51.4168 50.3407 234.998 GPRESSURE: 2357400 87.4555 -19.6707 73.791 -132.236 107.587 28.9851 76.6633 -77.2299 213.783 PRESSAVG: 2357400 -27.3676 -26.4344 18.6757 -26.4344 15.6841 -16.7325 18.6757 -16.7325 21.8422 GPRESSAVG: 2357400 -28.8254 -25.6198 20.3886 -26.7043 17.261 -15.8138 16.4634 -17.351 21.9599 TIMING: 2357400 CPU: 7448.59, 0.00315645/step Wall: 7448.59, 0.00315645/step, 2.31701 hours remaining, 236.742188 MB of memory in use. ENERGY: 2357400 3918.4313 20538.7005 14482.5662 231.2425 -203369.8609 2809.6727 0.0000 0.0000 51971.1002 -109418.1477 298.6786 -161389.2479 -109057.6133 299.0052 110.6434 136.2751 763416.2381 3.3862 3.4652 PRESSURE: 2357600 -34.6087 -44.5222 -11.8576 -44.5231 -113.02 -267.346 -11.8584 -267.346 56.1438 GPRESSURE: 2357600 -57.4362 4.84998 -8.58185 -70.0438 -45.5665 -152.387 -155.758 -423.314 82.2155 PRESSAVG: 2357600 34.0846 -24.1716 28.8315 -24.1715 -36.1928 31.1815 28.8316 31.1815 5.61216 GPRESSAVG: 2357600 34.1602 -25.5201 28.0824 -23.8068 -36.0158 31.0063 28.8376 31.0191 5.68227 TIMING: 2357600 CPU: 7449.22, 0.0031635/step Wall: 7449.22, 0.0031635/step, 2.32201 hours remaining, 236.824219 MB of memory in use. ENERGY: 2357600 3957.1717 20513.7722 14497.3664 249.4573 -203226.8330 2600.9621 0.0000 0.0000 52130.2930 -109277.8103 299.5935 -161408.1034 -108919.5481 298.9852 -30.4950 -6.9291 761765.1329 1.1680 1.2756 PRESSURE: 2357800 1.91802 -250.372 -65.0957 -250.373 114.995 119.041 -65.0964 119.041 -477.167 GPRESSURE: 2357800 29.124 -186.323 64.0151 -285.829 105.893 166.666 -75.356 92.2386 -401.846 PRESSAVG: 2357800 -30.9804 -31.3528 -29.7458 -31.3528 -0.625583 2.65967 -29.7458 2.65964 -11.4701 GPRESSAVG: 2357800 -29.5591 -28.7002 -30.0979 -31.4097 -0.605332 2.15183 -27.9662 2.95001 -12.4456 TIMING: 2357800 CPU: 7449.85, 0.00316253/step Wall: 7449.85, 0.00316253/step, 2.32112 hours remaining, 236.824219 MB of memory in use. ENERGY: 2357800 3899.1291 20375.8634 14450.0650 243.1766 -203245.0539 2913.9638 0.0000 0.0000 52168.9149 -109193.9411 299.8155 -161362.8561 -108832.4805 298.5843 -120.0846 -88.9433 762873.9622 -14.3587 -14.2034 PRESSURE: 2358000 -32.7311 70.7865 45.0455 70.7858 226.699 45.9695 45.0455 45.9702 292.064 GPRESSURE: 2358000 -47.5116 -7.65989 26.3457 93.8848 237.944 52.0873 176.694 -19.9187 366.94 PRESSAVG: 2358000 -4.83237 -32.822 20.3512 -32.8219 9.54048 1.75084 20.3512 1.75093 3.31887 GPRESSAVG: 2358000 -5.32516 -33.7284 19.7711 -31.9579 9.30829 1.9216 20.376 -0.964665 4.54077 TIMING: 2358000 CPU: 7450.49, 0.00317505/step Wall: 7450.49, 0.00317505/step, 2.33014 hours remaining, 236.824219 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: 2358000 3921.6953 20393.3509 14456.5534 240.8546 -203367.4528 3025.6313 0.0000 0.0000 51677.1031 -109652.2642 296.9890 -161329.3673 -109298.8255 297.8938 162.0106 185.7905 761130.0409 2.6757 2.8413 PRESSURE: 2358200 -158.8 -69.6358 45.9546 -69.6358 -174.513 18.293 45.9549 18.293 -62.6587 GPRESSURE: 2358200 -92.8506 -125.803 -98.867 -1.27423 -153.771 26.9099 143.167 -63.3837 -71.1165 PRESSAVG: 2358200 -33.024 -14.3698 -40.1603 -14.3697 69.7932 38.4003 -40.1604 38.4003 7.66818 GPRESSAVG: 2358200 -32.8402 -15.813 -39.4952 -12.0391 69.1919 37.6508 -40.8751 41.8679 7.58697 TIMING: 2358200 CPU: 7451.12, 0.00316649/step Wall: 7451.12, 0.00316649/step, 2.32367 hours remaining, 236.824219 MB of memory in use. ENERGY: 2358200 3965.6191 20257.4389 14464.6133 250.6735 -202788.2719 2290.3661 0.0000 0.0000 51835.9760 -109723.5850 297.9021 -161559.5610 -109356.2742 297.5570 -131.9907 -105.9128 761586.1062 14.8125 14.6462 PRESSURE: 2358400 187.64 -58.9688 -275.85 -58.9686 34.554 144.714 -275.85 144.715 173.361 GPRESSURE: 2358400 118.039 38.0266 -268.109 -24.7086 96.3332 64.8806 -255.553 168.68 250.672 PRESSAVG: 2358400 8.26448 -17.4059 -28.7823 -17.4059 8.48818 3.69438 -28.7823 3.6945 -23.4257 GPRESSAVG: 2358400 7.3697 -14.666 -28.6048 -19.642 9.12453 3.69542 -27.0305 2.27649 -23.2242 TIMING: 2358400 CPU: 7451.76, 0.00319093/step Wall: 7451.76, 0.00319093/step, 2.34143 hours remaining, 236.824219 MB of memory in use. ENERGY: 2358400 3953.2443 20454.1408 14505.2607 252.9204 -203292.0902 2945.2523 0.0000 0.0000 51866.4709 -109314.8007 298.0773 -161181.2716 -108966.6173 298.2671 131.8518 155.0147 760948.0642 -2.2243 -2.2433 PRESSURE: 2358600 193.208 150.299 -114.545 150.299 46.6164 72.9018 -114.545 72.9021 -28.393 GPRESSURE: 2358600 228.513 93.3766 -147.265 92.5786 57.8331 16.6671 -57.3126 108.43 14.0702 PRESSAVG: 2358600 -67.7862 27.122 -33.6668 27.1221 58.6495 58.421 -33.6667 58.421 -10.9591 GPRESSAVG: 2358600 -66.9182 27.5298 -34.471 25.7812 59.0624 58.386 -34.9963 58.3684 -12.323 TIMING: 2358600 CPU: 7452.39, 0.00317872/step Wall: 7452.39, 0.00317872/step, 2.3323 hours remaining, 236.824219 MB of memory in use. ENERGY: 2358600 3967.1185 20516.3833 14516.6810 260.8206 -203091.1026 2620.9223 0.0000 0.0000 51908.5736 -109300.6032 298.3193 -161209.1768 -108943.5011 298.7111 70.4773 100.1387 762054.1996 -6.6986 -6.7263 PRESSURE: 2358800 191.187 -13.2657 -24.6583 -13.2651 -268.285 222.971 -24.6586 222.972 -127.166 GPRESSURE: 2358800 250.315 7.20363 -13.1667 -82.0426 -197.261 157.944 66.4923 108.335 -148.797 PRESSAVG: 2358800 -14.0556 4.3737 -35.9528 4.3737 42.1904 -6.12832 -35.9528 -6.12835 23.7952 GPRESSAVG: 2358800 -15.0932 3.73586 -33.9689 6.31717 41.9614 -4.55248 -34.8529 -5.46973 24.6643 TIMING: 2358800 CPU: 7453.02, 0.0031599/step Wall: 7453.02, 0.0031599/step, 2.31831 hours remaining, 236.824219 MB of memory in use. ENERGY: 2358800 3978.0641 20450.7042 14400.7149 259.5036 -203413.7185 2768.4483 0.0000 0.0000 51853.6436 -109702.6399 298.0036 -161556.2835 -109345.2443 298.7264 -68.0877 -31.9145 762489.8632 17.3100 17.1775 PRESSURE: 2359000 -25.1275 -8.46052 142.072 -8.45923 14.579 -28.5543 142.071 -28.5533 5.54395 GPRESSURE: 2359000 0.868999 -94.2123 118.569 31.8185 103.903 -23.3591 58.9156 88.3867 -3.07959 PRESSAVG: 2359000 10.4074 43.7503 4.58756 43.7503 45.6834 36.834 4.58757 36.8339 6.85963 GPRESSAVG: 2359000 10.3206 41.9298 4.29559 43.4043 45.6734 36.063 2.66795 36.8863 7.26273 TIMING: 2359000 CPU: 7453.65, 0.00314848/step Wall: 7453.65, 0.00314848/step, 2.30976 hours remaining, 236.824219 MB of memory in use. ENERGY: 2359000 4026.7626 20342.1842 14475.1936 236.8909 -203483.5910 2856.0560 0.0000 0.0000 51990.9617 -109555.5419 298.7928 -161546.5036 -109186.6527 298.6384 -1.6682 33.8975 760731.3144 20.9835 21.0856 PRESSURE: 2359200 -121.864 23.9347 35.4445 23.9338 -75.8998 24.6835 35.4451 24.6842 -62.3845 GPRESSURE: 2359200 -68.5191 14.4371 14.6213 98.2751 -91.8635 25.0956 -10.568 -36.5589 10.0703 PRESSAVG: 2359200 -55.5674 6.59871 -14.4309 6.59865 39.5064 29.259 -14.431 29.259 11.2576 GPRESSAVG: 2359200 -54.5917 9.59919 -16.5472 5.61803 38.8298 28.5853 -13.5186 29.7898 11.1658 TIMING: 2359200 CPU: 7454.29, 0.00316894/step Wall: 7454.29, 0.00316894/step, 2.32459 hours remaining, 236.824219 MB of memory in use. ENERGY: 2359200 3985.7474 20473.6862 14473.8613 217.0210 -203518.1224 2648.1588 0.0000 0.0000 52012.4408 -109707.2069 298.9162 -161719.6477 -109351.2993 298.2680 -86.7162 -50.1041 763825.5762 -1.6011 -1.5320 PRESSURE: 2359400 170.9 13.6819 5.20836 13.6826 49.4795 -59.4265 5.20845 -59.4282 -74.3436 GPRESSURE: 2359400 226.152 -61.4863 5.02048 32.1306 36.7667 -41.8967 -52.3389 -23.9031 -38.0118 PRESSAVG: 2359400 -28.4116 -5.6153 -28.9566 -5.61528 4.96042 33.6275 -28.9566 33.6274 -1.99742 GPRESSAVG: 2359400 -28.3634 -8.50303 -28.604 -5.24961 6.04319 33.9568 -28.6032 33.5613 -2.41975 TIMING: 2359400 CPU: 7454.92, 0.00317078/step Wall: 7454.92, 0.00317078/step, 2.32577 hours remaining, 236.824219 MB of memory in use. ENERGY: 2359400 3921.8717 20436.4246 14437.6559 240.9393 -203551.5498 2863.3791 0.0000 0.0000 51798.1552 -109853.1239 297.6847 -161651.2791 -109495.3980 297.9886 48.6786 74.9690 763972.2383 -8.4829 -8.2467 PRESSURE: 2359600 272.748 -182.173 -38.2497 -182.173 30.9935 281.076 -38.249 281.075 361.882 GPRESSURE: 2359600 249.244 -123.059 30.1562 -243.657 163.228 326.783 -56.1277 222.348 325.549 PRESSAVG: 2359600 27.4406 -36.777 15.3345 -36.777 -15.5868 45.0854 15.3345 45.0854 15.8857 GPRESSAVG: 2359600 26.9525 -34.4889 14.26 -36.8694 -16.4271 43.8972 15.1357 43.9523 16.8371 TIMING: 2359600 CPU: 7455.56, 0.00319989/step Wall: 7455.56, 0.0031999/step, 2.34695 hours remaining, 236.824219 MB of memory in use. ENERGY: 2359600 4002.9994 20403.6672 14538.5408 256.4267 -203856.6645 3077.2863 0.0000 0.0000 51809.8620 -109767.8821 297.7520 -161577.7441 -109412.5053 298.1750 221.8746 246.0072 762655.6764 9.2465 9.1208 PRESSURE: 2359800 -128.633 -158.334 164.193 -158.332 -304.018 -98.3887 164.192 -98.3887 184.511 GPRESSURE: 2359800 -80.8993 -148.477 86.0929 -118.198 -337.672 -62.6979 67.117 -66.6667 244.754 PRESSAVG: 2359800 37.9482 -24.6173 -12.8202 -24.6173 -16.8653 -21.5629 -12.8202 -21.5628 -3.61779 GPRESSAVG: 2359800 38.7334 -25.6869 -10.965 -24.3618 -17.8474 -20.1127 -14.2856 -22.0911 -3.8736 TIMING: 2359800 CPU: 7456.2, 0.00317958/step Wall: 7456.2, 0.00317958/step, 2.33187 hours remaining, 236.824219 MB of memory in use. ENERGY: 2359800 3994.2497 20442.1916 14464.4914 242.4870 -203327.0802 2834.9111 0.0000 0.0000 51562.6407 -109786.1087 296.3312 -161348.7494 -109436.4151 298.3806 -82.7133 -57.9392 764198.7422 5.8217 5.6708 PRESSURE: 2360000 -131.005 42.9584 217.248 42.9585 247.814 -8.10167 217.248 -8.10303 68.0936 GPRESSURE: 2360000 -47.1546 35.0604 233.201 12.6839 284.233 -41.731 257.385 34.2184 63.2803 PRESSAVG: 2360000 -3.14692 -2.47436 35.5145 -2.47438 0.3575 -24.2195 35.5145 -24.2194 28.6668 GPRESSAVG: 2360000 -3.85228 -1.93963 34.5073 -2.63867 2.14656 -23.5496 36.2249 -22.8746 27.8743 TIMING: 2360000 CPU: 7456.83, 0.00315482/step Wall: 7456.83, 0.00315482/step, 2.31353 hours remaining, 236.824219 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: 2360000 4049.5830 20625.2325 14504.7537 241.3118 -203780.5483 2914.8155 0.0000 0.0000 51707.0957 -109737.7560 297.1614 -161444.8518 -109382.6875 298.2097 61.6343 100.1195 762882.6974 8.6258 8.7228 PRESSURE: 2360200 -143.545 76.7871 -153.117 76.7864 -77.4428 15.6892 -153.118 15.6892 -70.4878 GPRESSURE: 2360200 -134.011 72.5073 -4.46995 -15.2274 60.0482 86.4687 -118.201 -15.8014 -125.236 PRESSAVG: 2360200 47.3182 5.24195 4.98808 5.24191 -41.2123 48.9864 4.98814 48.9864 11.222 GPRESSAVG: 2360200 47.9117 4.71682 5.90507 3.13884 -41.5507 47.5658 5.02429 49.8324 10.8901 TIMING: 2360200 CPU: 7457.46, 0.00315433/step Wall: 7457.46, 0.00315433/step, 2.313 hours remaining, 236.824219 MB of memory in use. ENERGY: 2360200 4007.7871 20532.2930 14467.7884 243.2002 -203595.6762 2683.5991 0.0000 0.0000 52095.7447 -109565.2637 299.3950 -161661.0084 -109201.5907 298.9648 -97.1584 -66.3995 762237.0112 5.7760 5.7504 LDB: ============= START OF LOAD BALANCING ============== 7469.99 LDB: ============== END OF LOAD BALANCING =============== 7469.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7469.99 LDB: ============= START OF LOAD BALANCING ============== 7470.31 LDB: Largest compute 7076 load 0.032096 is 16.4% of average load 0.195547 LDB: Average compute 0.004389 is 2.2% of average load 0.195547 LDB: TIME 7470.31 LOAD: AVG 0.195547 MAX 0.21428 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 7470.31 LOAD: AVG 0.195547 MAX 0.21428 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: TIME 7470.31 LOAD: AVG 0.195547 MAX 0.21428 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: ============== END OF LOAD BALANCING =============== 7470.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7470.32 PRESSURE: 2360400 332.023 7.71764 166.029 7.71723 -148.537 129.571 166.029 129.571 -135.727 GPRESSURE: 2360400 353.748 -6.00839 86.0572 5.43226 -160.293 57.3417 109.93 127.654 -71.4433 PRESSAVG: 2360400 9.92373 11.3785 2.63725 11.3785 -39.2356 16.3757 2.63727 16.3757 -25.0539 GPRESSAVG: 2360400 10.3 11.8415 1.97396 11.3512 -40.7295 16.6945 2.95234 15.8184 -23.9195 TIMING: 2360400 CPU: 7458.1, 0.00321332/step Wall: 7458.1, 0.00321332/step, 2.35608 hours remaining, 235.394531 MB of memory in use. ENERGY: 2360400 3937.1032 20498.5290 14510.4759 274.6679 -203545.4141 2893.8667 0.0000 0.0000 52020.9269 -109409.8445 298.9650 -161430.7714 -109042.8124 298.9047 15.9197 40.6705 763122.9522 -18.1219 -18.1163 PRESSURE: 2360600 191.947 49.0219 17.4752 49.0224 -6.92652 28.6987 17.4754 28.699 -93.9306 GPRESSURE: 2360600 314.073 113.89 68.6634 -10.0034 -63.2518 52.7632 -46.4991 -19.5861 -94.2166 PRESSAVG: 2360600 21.2288 11.3174 0.393155 11.3175 -3.07984 27.9437 0.393118 27.9437 -2.15356 GPRESSAVG: 2360600 20.9743 12.0649 1.26861 11.0951 -2.92339 29.9079 -1.15357 27.3531 -2.32354 TIMING: 2360600 CPU: 7458.73, 0.00314139/step Wall: 7458.73, 0.00314139/step, 2.30316 hours remaining, 235.597656 MB of memory in use. ENERGY: 2360600 4004.6212 20508.2766 14482.1887 258.7438 -203552.2805 2869.1102 0.0000 0.0000 51852.7954 -109576.5447 297.9987 -161429.3400 -109220.4992 298.8951 30.3634 52.2014 763899.0639 5.3318 5.2425 PRESSURE: 2360800 420.012 -15.4924 58.9498 -15.4932 -61.4426 19.3659 58.9502 19.367 31.6979 GPRESSURE: 2360800 413.439 -91.2174 43.4222 -46.4427 6.99061 31.3089 -85.6942 -116.32 40.7853 PRESSAVG: 2360800 62.8759 -46.6028 76.7095 -46.6028 -75.2928 -5.23219 76.7095 -5.23223 1.8474 GPRESSAVG: 2360800 62.6921 -46.874 73.7424 -44.3423 -74.6862 -5.23885 79.5028 -4.69309 1.09029 TIMING: 2360800 CPU: 7459.36, 0.00313868/step Wall: 7459.36, 0.00313868/step, 2.301 hours remaining, 235.597656 MB of memory in use. ENERGY: 2360800 4061.4484 20408.2168 14427.3655 258.1863 -203665.4608 2951.1424 0.0000 0.0000 52155.1452 -109403.9563 299.7363 -161559.1014 -109054.0278 299.0818 130.0890 153.7381 763431.1928 -3.5232 -3.6346 PRESSURE: 2361000 198.665 -202.742 204.016 -202.743 495.237 14.6131 204.016 14.6129 -5.76285 GPRESSURE: 2361000 226.755 -77.4742 289.796 -130.774 477.996 22.9701 70.5166 79.5812 71.8303 PRESSAVG: 2361000 70.667 -2.84268 -25.3622 -2.84268 -60.6404 20.4832 -25.3622 20.4832 -1.92455 GPRESSAVG: 2361000 70.2988 -4.52522 -22.33 -2.52305 -60.5966 19.6032 -28.9346 19.3937 -1.34984 TIMING: 2361000 CPU: 7459.99, 0.00314162/step Wall: 7459.99, 0.00314162/step, 2.30298 hours remaining, 235.855469 MB of memory in use. ENERGY: 2361000 4057.0716 20356.2209 14446.8288 242.1468 -203634.3914 3141.0111 0.0000 0.0000 52032.4002 -109358.7120 299.0309 -161391.1122 -108990.3178 299.2407 229.3794 258.8606 763885.3962 2.7007 2.7841 PRESSURE: 2361200 -465.324 -79.7224 -34.5477 -79.7218 147.867 -115.338 -34.5482 -115.338 147.395 GPRESSURE: 2361200 -381.164 -61.4152 -59.2077 -97.0234 147.691 -116.879 -59.295 -14.0676 152.207 PRESSAVG: 2361200 -11.65 -12.0846 -46.8387 -12.0846 8.02413 11.0667 -46.8386 11.0666 -3.58943 GPRESSAVG: 2361200 -11.2979 -11.1476 -48.0299 -12.7248 7.25515 11.7987 -45.1577 11.3033 -3.31433 TIMING: 2361200 CPU: 7460.61, 0.00312435/step Wall: 7460.61, 0.00312435/step, 2.29015 hours remaining, 235.855469 MB of memory in use. ENERGY: 2361200 3967.7764 20567.7948 14419.3953 255.0362 -203506.0893 2900.8625 0.0000 0.0000 51803.6868 -109591.5373 297.7165 -161395.2241 -109236.7963 298.7213 -56.6873 -27.0887 765629.2963 -2.4051 -2.4524 PRESSURE: 2361400 122.361 -74.3008 -117.603 -74.3015 -326.775 133.959 -117.602 133.959 -17.2018 GPRESSURE: 2361400 114.994 -86.9334 -141.948 -100.378 -328.884 141.198 -109.933 11.6693 87.2673 PRESSAVG: 2361400 52.4754 -50.8072 -6.62614 -50.8072 -7.06402 -27.8296 -6.62619 -27.8297 -18.8333 GPRESSAVG: 2361400 53.5861 -50.5322 -5.37753 -51.6055 -7.81664 -27.7893 -7.60101 -29.0931 -19.1973 TIMING: 2361400 CPU: 7461.24, 0.00312784/step Wall: 7461.24, 0.00312784/step, 2.29253 hours remaining, 235.855469 MB of memory in use. ENERGY: 2361400 3969.3697 20359.0894 14391.7768 272.1378 -203654.0851 2984.0140 0.0000 0.0000 52304.7199 -109372.9775 300.5959 -161677.6974 -109001.7888 298.7909 -73.8722 -42.2075 763208.6912 8.8594 8.8574 PRESSURE: 2361600 -256.15 -161.531 165.944 -161.531 -311.092 19.9431 165.944 19.9436 -225.251 GPRESSURE: 2361600 -178.44 -177.975 245.837 1.49924 -349.718 79.7977 72.0391 55.0687 -189.946 PRESSAVG: 2361600 43.3198 -69.8477 -48.7975 -69.8477 -43.3906 -30.5144 -48.7975 -30.5144 -15.4189 GPRESSAVG: 2361600 44.1185 -70.0873 -49.8564 -68.0313 -42.9004 -31.0335 -50.5751 -28.4382 -16.5228 TIMING: 2361600 CPU: 7461.87, 0.0031401/step Wall: 7461.87, 0.0031401/step, 2.30135 hours remaining, 235.855469 MB of memory in use. ENERGY: 2361600 3974.7727 20496.9654 14433.7647 242.5581 -202918.0617 2470.4537 0.0000 0.0000 52035.7442 -109263.8029 299.0501 -161299.5471 -108905.2283 299.1267 -264.1641 -239.3680 765533.4199 -5.1632 -5.1016 PRESSURE: 2361800 -222.308 -19.5558 -47.1667 -19.5555 -227.445 -233.654 -47.1661 -233.654 -73.2276 GPRESSURE: 2361800 -295.313 3.40298 -64.0565 -26.2492 -95.5352 -249.785 -61.1514 -142.615 -40.323 PRESSAVG: 2361800 58.9416 12.2939 -4.01234 12.2938 -30.8836 -16.855 -4.01237 -16.855 20.1366 GPRESSAVG: 2361800 57.9016 13.671 -3.23187 10.6715 -30.9414 -17.5365 -4.57552 -16.6188 21.655 TIMING: 2361800 CPU: 7462.5, 0.00315423/step Wall: 7462.5, 0.00315423/step, 2.31153 hours remaining, 235.855469 MB of memory in use. ENERGY: 2361800 4029.4500 20464.5726 14385.4414 243.7594 -203128.5644 2719.5581 0.0000 0.0000 52007.0753 -109278.7077 298.8854 -161285.7830 -108913.2981 299.1350 -174.3269 -143.7237 763821.3470 16.0649 16.2051 PRESSURE: 2362000 23.7451 43.1666 -23.0273 43.1666 -219.857 140.479 -23.0267 140.481 -50.9616 GPRESSURE: 2362000 26.6792 25.7802 9.2205 -42.5661 -94.8329 125.938 -31.8566 -12.4223 -109.628 PRESSAVG: 2362000 0.21252 -38.5086 -14.7526 -38.5086 -24.404 -46.9766 -14.7526 -46.9765 -14.2583 GPRESSAVG: 2362000 -0.544055 -40.0534 -16.0177 -37.2494 -23.1142 -46.3057 -11.0872 -47.7075 -14.7104 TIMING: 2362000 CPU: 7463.12, 0.00313872/step Wall: 7463.12, 0.00313872/step, 2.29998 hours remaining, 235.855469 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: 2362000 3956.4435 20503.6989 14435.7282 229.4042 -203055.4880 2740.6717 0.0000 0.0000 51957.8907 -109231.6508 298.6027 -161189.5415 -108870.0697 298.9824 -82.3577 -59.2606 763794.5684 -12.8166 -12.7896 PRESSURE: 2362200 188.563 -172.7 -82.4805 -172.701 81.4446 -55.1012 -82.4805 -55.1011 -463.286 GPRESSURE: 2362200 261.805 -21.2101 8.15069 -283.805 55.8508 -129.863 -79.7929 -54.8918 -438.411 PRESSAVG: 2362200 49.0783 -56.6899 22.224 -56.6899 -20.656 17.0023 22.2239 17.0023 -8.83437 GPRESSAVG: 2362200 50.2299 -55.1807 22.1554 -57.6237 -20.4748 16.319 21.2057 17.9439 -9.80737 TIMING: 2362200 CPU: 7463.76, 0.00315501/step Wall: 7463.76, 0.00315501/step, 2.31174 hours remaining, 235.855469 MB of memory in use. ENERGY: 2362200 3955.1720 20366.1666 14435.1978 243.2298 -203562.3713 2967.4647 0.0000 0.0000 52259.6370 -109335.5035 300.3369 -161595.1404 -108973.6779 298.6414 -64.4262 -40.2517 763223.4655 6.5293 6.6492 PRESSURE: 2362400 -227.346 35.1969 260.337 35.1964 236.876 4.3735 260.336 4.37379 182.516 GPRESSURE: 2362400 -183.802 32.4252 331.049 114.108 243.998 -109.802 96.5501 113.165 206.261 PRESSAVG: 2362400 20.3598 -73.2806 17.9841 -73.2807 15.0366 -61.8823 17.9841 -61.8824 14.97 GPRESSAVG: 2362400 20.5316 -74.9783 19.616 -72.3147 13.2572 -60.3382 14.143 -62.6715 16.4 TIMING: 2362400 CPU: 7464.39, 0.00314992/step Wall: 7464.39, 0.00314992/step, 2.30784 hours remaining, 235.855469 MB of memory in use. ENERGY: 2362400 3914.8348 20403.7032 14527.3165 232.9045 -203158.2929 2671.9360 0.0000 0.0000 52155.4091 -109252.1888 299.7379 -161407.5979 -108888.4138 299.4945 64.0152 88.8191 763575.5374 16.7888 16.7296 PRESSURE: 2362600 -16.1914 -81.7855 88.2731 -81.7858 -101.719 -275.168 88.2742 -275.168 330.901 GPRESSURE: 2362600 -35.8986 -174.324 144.323 -63.0635 -5.16794 -277.917 82.7746 -327.339 344.443 PRESSAVG: 2362600 10.3566 -37.0457 -7.03618 -37.0458 -1.84956 -11.8342 -7.03618 -11.8342 5.85042 GPRESSAVG: 2362600 9.90408 -36.5334 -7.89678 -36.9398 -0.0704616 -11.4057 -3.39485 -13.6768 5.11918 TIMING: 2362600 CPU: 7465.01, 0.00314172/step Wall: 7465.01, 0.00314172/step, 2.30166 hours remaining, 235.855469 MB of memory in use. ENERGY: 2362600 3925.9966 20376.3424 14393.0555 241.1296 -203489.7987 2910.5991 0.0000 0.0000 52143.8465 -109498.8290 299.6714 -161642.6755 -109141.9378 298.7613 70.9969 101.1254 762221.0657 4.7858 4.9843 PRESSURE: 2362800 266.979 -173.095 -395.456 -173.096 81.9277 -103.514 -395.455 -103.514 441.174 GPRESSURE: 2362800 268.715 -83.4054 -412.672 -190.096 138.651 -129.906 -381.791 -88.9976 461.137 PRESSAVG: 2362800 33.7306 -32.2323 20.284 -32.2322 -42.4738 -21.4475 20.284 -21.4475 6.39911 GPRESSAVG: 2362800 32.7927 -32.6675 20.313 -32.298 -41.6331 -20.9412 19.2045 -19.1558 6.2621 TIMING: 2362800 CPU: 7465.64, 0.00313557/step Wall: 7465.64, 0.00313557/step, 2.29698 hours remaining, 235.855469 MB of memory in use. ENERGY: 2362800 3901.8515 20402.3143 14472.5742 261.2040 -203781.4561 3043.8205 0.0000 0.0000 52111.3764 -109588.3151 299.4848 -161699.6915 -109225.5877 298.5879 263.3601 289.5012 760991.4012 -0.7814 -0.8595 PRESSURE: 2363000 -328.088 -48.0218 203.159 -48.021 -133.259 106.986 203.16 106.986 227.537 GPRESSURE: 2363000 -236.436 13.7458 208.951 83.4016 -142.75 109.578 160.69 -34.4277 220.141 PRESSAVG: 2363000 21.2358 20.7628 21.9235 20.7628 0.831474 20.5994 21.9235 20.5995 -2.64264 GPRESSAVG: 2363000 22.1922 21.564 21.8793 20.6788 -0.62106 19.5378 22.9012 21.2008 -2.27805 TIMING: 2363000 CPU: 7466.27, 0.0031392/step Wall: 7466.27, 0.00313919/step, 2.29946 hours remaining, 235.855469 MB of memory in use. ENERGY: 2363000 3929.4260 20339.7314 14437.9686 256.2960 -203146.1404 2814.6577 0.0000 0.0000 51902.2029 -109465.8578 298.2827 -161368.0607 -109106.2213 298.2334 -77.9366 -53.0147 762677.7584 6.4749 6.4310 PRESSURE: 2363200 79.4052 -0.13366 -193.251 -0.133058 -6.52059 128.176 -193.251 128.175 -386.594 GPRESSURE: 2363200 51.2874 -64.5872 -231.697 -84.7197 121.227 139.521 -84.2674 150.388 -402.272 PRESSAVG: 2363200 30.1091 -13.3291 -6.84972 -13.3291 -56.8134 -40.9557 -6.84975 -40.9557 4.69296 GPRESSAVG: 2363200 30.3336 -13.9109 -8.64106 -15.0896 -56.4026 -40.8458 -6.31791 -44.043 3.95077 TIMING: 2363200 CPU: 7466.9, 0.00315398/step Wall: 7466.9, 0.00315398/step, 2.31012 hours remaining, 235.855469 MB of memory in use. ENERGY: 2363200 4017.0354 20360.4666 14407.7906 255.8847 -203421.3910 2933.7106 0.0000 0.0000 51940.5650 -109505.9382 298.5031 -161446.5032 -109146.4721 298.8069 -104.5696 -76.5856 765564.7640 -7.3371 -7.3727 PRESSURE: 2363400 -380.68 97.7303 -354.17 97.7303 -41.938 -254.291 -354.17 -254.292 -93.7829 GPRESSURE: 2363400 -247.974 47.2114 -304.094 96.2144 -59.063 -228.252 -300.953 -308.132 -116.493 PRESSAVG: 2363400 38.0954 -32.8984 -21.9119 -32.8984 -15.5617 -7.88587 -21.9118 -7.88584 0.845867 GPRESSAVG: 2363400 38.1505 -32.863 -19.1697 -31.8181 -16.3424 -7.5991 -23.8469 -5.34756 1.58564 TIMING: 2363400 CPU: 7467.53, 0.00314381/step Wall: 7467.53, 0.00314381/step, 2.30249 hours remaining, 235.855469 MB of memory in use. ENERGY: 2363400 3994.8522 20375.9281 14429.1319 238.2515 -203121.4985 2526.1045 0.0000 0.0000 52096.9620 -109460.2682 299.4020 -161557.2303 -109090.5990 298.9918 -172.1337 -141.1765 765032.7124 7.7932 7.7979 PRESSURE: 2363600 -523.448 -48.7945 -56.3199 -48.7943 -190.731 59.9384 -56.3197 59.9385 2.61629 GPRESSURE: 2363600 -429.328 -74.122 -137.891 -107.627 -212.321 -11.3636 118.997 145.833 23.8575 PRESSAVG: 2363600 -40.6624 -42.2955 -3.2856 -42.2955 16.9008 -71.5998 -3.28563 -71.5998 -4.36143 GPRESSAVG: 2363600 -41.1813 -41.2168 -6.56308 -42.853 18.1486 -72.4414 -1.37213 -70.6686 -5.06717 TIMING: 2363600 CPU: 7468.16, 0.0031589/step Wall: 7468.16, 0.0031589/step, 2.31337 hours remaining, 235.855469 MB of memory in use. ENERGY: 2363600 3978.1250 20306.8282 14421.6213 247.9815 -203392.0306 2901.5304 0.0000 0.0000 51749.1846 -109786.7595 297.4033 -161535.9442 -109428.2560 297.8292 -237.1878 -205.9304 765396.9766 -9.3744 -9.3666 PRESSURE: 2363800 -542.771 99.9045 -230.979 99.9051 -251.252 107.571 -230.98 107.572 -126.392 GPRESSURE: 2363800 -568.604 155.502 -157.222 -62.2788 -129.271 54.5308 -292.094 19.5873 -131.91 PRESSAVG: 2363800 40.8663 -3.88967 -32.3207 -3.8897 -28.1936 -14.8232 -32.3207 -14.8232 -5.9252 GPRESSAVG: 2363800 40.9333 -6.73228 -30.9368 -3.22523 -28.5332 -14.9356 -31.4184 -17.9148 -5.72875 TIMING: 2363800 CPU: 7468.79, 0.0031611/step Wall: 7468.79, 0.0031611/step, 2.3148 hours remaining, 235.925781 MB of memory in use. ENERGY: 2363800 3989.6758 20394.4297 14417.4985 238.4843 -203781.7826 2927.8097 0.0000 0.0000 52095.2765 -109718.6081 299.3923 -161813.8846 -109355.8030 297.9037 -306.8051 -276.5950 765234.0979 2.2492 2.2238 PRESSURE: 2364000 7.82262 -20.5644 30.1271 -20.5662 -222.825 -171.973 30.1267 -171.973 -75.5418 GPRESSURE: 2364000 36.9031 50.2096 78.4113 -6.28164 -177.434 -124.252 -67.4484 -152.769 -58.2724 PRESSAVG: 2364000 -56.697 -36.4305 -37.1137 -36.4305 50.2824 9.29523 -37.1137 9.29524 3.67049 GPRESSAVG: 2364000 -56.8577 -34.1219 -36.5411 -36.7256 50.2173 10.2006 -39.3953 12.7333 4.1353 TIMING: 2364000 CPU: 7469.42, 0.00315742/step Wall: 7469.42, 0.00315742/step, 2.31193 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: 2364000 4074.7239 20532.8342 14455.3166 238.6958 -203689.7227 2802.2538 0.0000 0.0000 52126.2127 -109459.6857 299.5701 -161585.8984 -109103.8900 298.6036 -96.8482 -66.2677 762524.0520 -0.9147 -0.8350 PRESSURE: 2364200 -316.198 -190.027 243.153 -190.027 15.9974 48.5102 243.153 48.5117 -249.056 GPRESSURE: 2364200 -203.571 -54.5653 211.361 -93.4715 -1.63337 -16.4108 123.352 45.3014 -266.864 PRESSAVG: 2364200 -10.6285 32.2493 -37.7889 32.2492 19.8983 -30.8743 -37.789 -30.8743 11.4722 GPRESSAVG: 2364200 -10.8706 34.1834 -36.4914 32.7203 21.4108 -31.1276 -37.8479 -33.4688 10.4605 TIMING: 2364200 CPU: 7470.06, 0.00318998/step Wall: 7470.06, 0.00318998/step, 2.3356 hours remaining, 235.914062 MB of memory in use. ENERGY: 2364200 3971.8119 20540.0176 14402.4950 263.2120 -203425.3953 2639.5292 0.0000 0.0000 52179.6018 -109428.7277 299.8769 -161608.3296 -109061.7802 299.1556 -183.0854 -157.3561 764104.3066 6.9140 7.0002 LDB: ============= START OF LOAD BALANCING ============== 7482.6 LDB: ============== END OF LOAD BALANCING =============== 7482.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7482.6 LDB: ============= START OF LOAD BALANCING ============== 7482.91 LDB: Largest compute 7026 load 0.031489 is 16.1% of average load 0.195517 LDB: Average compute 0.004401 is 2.3% of average load 0.195517 LDB: TIME 7482.92 LOAD: AVG 0.195517 MAX 0.217937 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 7482.92 LOAD: AVG 0.195517 MAX 0.217937 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 7482.92 LOAD: AVG 0.195517 MAX 0.217937 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 7482.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7482.92 PRESSURE: 2364400 352.674 36.174 -39.1388 36.1742 -259.89 93.0028 -39.1393 93.0025 14.9354 GPRESSURE: 2364400 330.269 174.987 -66.2825 108.626 -128.359 141.544 6.87428 28.3166 -40.6041 PRESSAVG: 2364400 24.6397 55.1196 -33.2433 55.1196 0.866969 -19.5959 -33.2433 -19.5959 -16.5406 GPRESSAVG: 2364400 24.128 53.3743 -35.8835 55.4304 1.04288 -18.427 -30.5833 -19.2196 -16.6327 TIMING: 2364400 CPU: 7470.71, 0.00322935/step Wall: 7470.71, 0.00322935/step, 2.36425 hours remaining, 234.882812 MB of memory in use. ENERGY: 2364400 3897.0221 20472.8492 14423.6444 235.6606 -203274.8524 2895.3356 0.0000 0.0000 52089.2766 -109261.0638 299.3578 -161350.3404 -108894.1277 298.9571 35.9064 53.7686 762774.5012 2.9887 2.8461 PRESSURE: 2364600 -306.495 -141.359 -80.6423 -141.359 58.0124 -27.2481 -80.6418 -27.248 -78.1341 GPRESSURE: 2364600 -256.633 -138.991 -74.7548 -12.0583 43.4695 -31.0228 -128.209 -157.99 -13.8923 PRESSAVG: 2364600 -53.268 38.6697 -67.6702 38.6697 36.2994 -12.9562 -67.6701 -12.9561 -19.6032 GPRESSAVG: 2364600 -51.7759 38.654 -66.5596 38.8564 35.3711 -14.6777 -70.1194 -13.6655 -19.5577 TIMING: 2364600 CPU: 7471.34, 0.00317387/step Wall: 7471.34, 0.00317387/step, 2.32345 hours remaining, 234.882812 MB of memory in use. ENERGY: 2364600 4029.4382 20518.0827 14429.2060 251.2831 -203155.3074 2668.6454 0.0000 0.0000 52227.7612 -109030.8908 300.1537 -161258.6520 -108678.6083 299.1288 -108.8724 -75.6853 764454.9988 -12.1906 -11.9875 PRESSURE: 2364800 -162.35 -141.218 -44.9808 -141.218 -55.2832 -58.6976 -44.9808 -58.6978 477.877 GPRESSURE: 2364800 -11.5167 -118.531 10.463 -133.873 -120.241 -56.5218 -8.30488 -5.96726 460.565 PRESSAVG: 2364800 -15.7206 -56.562 -29.0005 -56.562 -22.6487 7.57939 -29.0005 7.57932 21.4391 GPRESSAVG: 2364800 -16.3919 -56.0054 -30.4995 -56.491 -23.0237 8.84237 -28.0297 9.2273 22.6722 TIMING: 2364800 CPU: 7471.98, 0.00317143/step Wall: 7471.98, 0.00317144/step, 2.32149 hours remaining, 234.953125 MB of memory in use. ENERGY: 2364800 4046.8808 20473.4106 14432.3014 250.5719 -203323.8973 2774.1028 0.0000 0.0000 52258.9847 -109087.6451 300.3331 -161346.6298 -108721.5866 300.1573 86.7480 109.6022 762695.0234 -5.6434 -5.5811 PRESSURE: 2365000 -124.741 93.404 146.115 93.4029 -391.386 178.955 146.115 178.956 31.4653 GPRESSURE: 2365000 -139.41 173.163 86.1293 52.6793 -299.705 180.539 208.991 -2.78582 25.9781 PRESSAVG: 2365000 34.8264 40.4047 4.56746 40.4048 11.2698 25.1171 4.56755 25.1171 -35.269 GPRESSAVG: 2365000 34.0739 38.8841 5.67198 40.4791 12.0464 23.5853 4.97284 26.4646 -35.0108 TIMING: 2365000 CPU: 7472.61, 0.0031692/step Wall: 7472.61, 0.0031692/step, 2.31968 hours remaining, 234.953125 MB of memory in use. ENERGY: 2365000 3991.6673 20429.1745 14483.1278 262.2615 -203153.0695 2822.6019 0.0000 0.0000 51994.4907 -109169.7458 298.8131 -161164.2365 -108796.1138 299.5580 -161.5540 -137.7124 764186.2532 3.6091 3.7032 PRESSURE: 2365200 64.5491 -47.2295 43.3952 -47.23 281.021 -16.642 43.3945 -16.6418 -4.3108 GPRESSURE: 2365200 167.397 -37.8117 23.1709 -34.912 216.725 -26.3294 -98.5957 -2.6566 35.3985 PRESSAVG: 2365200 -22.9533 -1.61379 -21.9706 -1.6137 40.6995 33.8896 -21.9706 33.8895 -4.07301 GPRESSAVG: 2365200 -22.5211 -1.12224 -22.8588 -2.67871 40.025 35.4637 -21.9605 29.5374 -3.56079 TIMING: 2365200 CPU: 7473.24, 0.00315058/step Wall: 7473.24, 0.00315058/step, 2.30587 hours remaining, 234.953125 MB of memory in use. ENERGY: 2365200 3944.1195 20525.6675 14431.6598 248.5138 -203573.6188 2974.0828 0.0000 0.0000 52108.3787 -109341.1966 299.4676 -161449.5753 -108978.7189 299.1927 113.7532 139.8401 762906.0595 4.5577 4.6477 PRESSURE: 2365400 63.9562 -3.27117 2.58499 -3.2715 -139 -109.825 2.5846 -109.824 -267.498 GPRESSURE: 2365400 37.5933 126.964 13.2614 -124.642 -26.7684 -142.104 60.0288 -31.2624 -247.913 PRESSAVG: 2365400 -13.4811 -16.7772 -12.2689 -16.7772 8.49199 33.8518 -12.2689 33.8518 13.1667 GPRESSAVG: 2365400 -13.0696 -15.4362 -10.1398 -16.9453 10.0073 32.9237 -13.4227 36.5213 11.8135 TIMING: 2365400 CPU: 7473.88, 0.00317568/step Wall: 7473.88, 0.00317568/step, 2.32407 hours remaining, 234.953125 MB of memory in use. ENERGY: 2365400 4009.3651 20475.2011 14434.3638 243.7563 -203281.2066 2979.7185 0.0000 0.0000 51836.8208 -109301.9810 297.9069 -161138.8018 -108936.0743 298.8476 -114.1807 -79.0293 763945.9439 2.7259 2.9171 PRESSURE: 2365600 34.7886 -26.9216 35.3299 -26.9211 -32.0948 254.462 35.3298 254.462 -115.34 GPRESSURE: 2365600 175.568 -58.2869 45.968 -62.9151 -83.7208 162 -126.991 108.839 -110.939 PRESSAVG: 2365600 12.7537 -38.2206 -43.9965 -38.2206 -27.9098 18.9826 -43.9965 18.9826 21.6244 GPRESSAVG: 2365600 12.8639 -40.1422 -42.9476 -38.0793 -27.6534 19.7973 -43.7517 16.4358 22.2086 TIMING: 2365600 CPU: 7474.51, 0.00315621/step Wall: 7474.51, 0.00315621/step, 2.30964 hours remaining, 234.953125 MB of memory in use. ENERGY: 2365600 3987.0344 20488.6050 14470.2486 251.5066 -203294.2303 2908.6376 0.0000 0.0000 51905.0050 -109283.1932 298.2988 -161188.1982 -108924.3292 298.9538 -37.5488 -6.3641 762460.9117 2.1561 2.4731 PRESSURE: 2365800 -157.497 -8.67992 -205.366 -8.68005 -136.902 84.9734 -205.365 84.9731 -358.753 GPRESSURE: 2365800 -180.519 -61.5524 -142.7 -117.251 -76.5984 118.92 -143.871 160.458 -321.736 PRESSAVG: 2365800 13.2998 -17.252 36.8482 -17.252 -14.3665 -28.3564 36.8481 -28.3564 -4.33891 GPRESSAVG: 2365800 13.3786 -15.7536 34.4294 -16.9863 -15.0853 -29.3053 37.3994 -26.8692 -3.55907 TIMING: 2365800 CPU: 7475.14, 0.00315659/step Wall: 7475.14, 0.00315659/step, 2.30975 hours remaining, 234.953125 MB of memory in use. ENERGY: 2365800 4050.6508 20408.3221 14444.5241 214.4426 -203075.1364 2458.3704 0.0000 0.0000 51968.8487 -109529.9779 298.6657 -161498.8266 -109167.2131 298.6931 -217.7172 -192.9512 762993.2866 -1.8019 -1.7553 PRESSURE: 2366000 -221.394 5.53549 -159.074 5.53548 -133.443 -4.32078 -159.074 -4.32057 -191.005 GPRESSURE: 2366000 -206.202 -137.963 -155.347 102.8 -87.4752 11.7422 -55.4812 -69.4719 -174.825 PRESSAVG: 2366000 39.4917 -22.4771 -2.01688 -22.4772 -18.27 -2.8244 -2.01698 -2.82434 -1.47144 GPRESSAVG: 2366000 39.8234 -23.7299 0.341384 -21.9189 -18.5214 -2.3962 -2.03603 -1.55673 -1.67043 TIMING: 2366000 CPU: 7475.77, 0.00314979/step Wall: 7475.77, 0.00314979/step, 2.3046 hours remaining, 234.953125 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: 2366000 4056.5710 20487.8621 14429.3024 244.2703 -203525.5508 2591.5155 0.0000 0.0000 52302.2387 -109413.7909 300.5817 -161716.0296 -109048.3236 298.6248 -181.9470 -156.1671 762067.3799 6.5834 6.5439 PRESSURE: 2366200 -63.3694 -68.3687 -5.96091 -68.369 49.0768 152.618 -5.96155 152.617 -163.072 GPRESSURE: 2366200 -43.0677 -11.8479 15.6437 -124.94 112.123 234.789 -54.2731 123.39 -161.238 PRESSAVG: 2366200 67.1896 23.1886 10.7578 23.1887 8.29311 -27.782 10.7579 -27.782 17.1772 GPRESSAVG: 2366200 66.0189 23.8548 10.5504 22.373 9.09083 -26.9441 9.6097 -29.9129 17.1095 TIMING: 2366200 CPU: 7476.4, 0.00316302/step Wall: 7476.4, 0.00316302/step, 2.3141 hours remaining, 234.953125 MB of memory in use. ENERGY: 2366200 4010.5082 20632.4358 14352.2821 246.1945 -203118.0390 2582.9863 0.0000 0.0000 51866.8808 -109426.7513 298.0797 -161293.6321 -109067.5242 299.2700 -59.1215 -30.7276 763058.3192 30.8867 30.7397 PRESSURE: 2366400 84.3944 21.4466 -11.4051 21.4466 212.293 -60.2297 -11.4045 -60.2305 215.421 GPRESSURE: 2366400 192.621 -116.727 9.13406 -102.544 241.247 -21.0099 97.0506 -86.8828 159.924 PRESSAVG: 2366400 33.0333 -52.2106 1.22413 -52.2106 -40.1155 18.3041 1.22415 18.3041 -15.8932 GPRESSAVG: 2366400 34.5859 -53.5977 -0.283516 -53.5949 -41.3152 18.0485 0.834638 19.5182 -16.7434 TIMING: 2366400 CPU: 7477.03, 0.00315792/step Wall: 7477.03, 0.00315792/step, 2.31019 hours remaining, 234.953125 MB of memory in use. ENERGY: 2366400 4040.3696 20561.2099 14474.2409 252.9562 -203001.1554 2480.4328 0.0000 0.0000 52000.5602 -109191.3857 298.8479 -161191.9460 -108839.1987 298.7991 170.7028 197.9306 761111.0333 -7.6585 -7.8243 PRESSURE: 2366600 -372.86 -248.571 330.656 -248.571 -399.112 -157.234 330.655 -157.234 216.426 GPRESSURE: 2366600 -305.1 -188.194 338.634 -213.592 -361.858 -111.457 205.251 -108.105 207.638 PRESSAVG: 2366600 20.2505 2.53684 -28.078 2.53685 -9.46595 -40.5092 -28.078 -40.5091 17.3364 GPRESSAVG: 2366600 18.8036 4.5524 -28.8789 4.31222 -8.52343 -40.3007 -25.5055 -40.8193 17.5666 TIMING: 2366600 CPU: 7477.67, 0.00318941/step Wall: 7477.67, 0.00318941/step, 2.33305 hours remaining, 234.953125 MB of memory in use. ENERGY: 2366600 3999.4886 20624.4298 14445.8383 237.3064 -203198.2105 2450.8402 0.0000 0.0000 51876.9135 -109563.3936 298.1373 -161440.3072 -109200.7193 299.2291 -185.1822 -153.1066 760214.9043 9.3736 9.2822 PRESSURE: 2366800 -120.135 -25.0719 -261.195 -25.0725 -209.92 256.219 -261.195 256.22 -227.543 GPRESSURE: 2366800 -111.29 -129.145 -227.075 17.8739 -102.254 216.114 -197.815 175.448 -246.608 PRESSAVG: 2366800 4.28971 -36.4859 -32.3349 -36.486 38.6831 -18.2617 -32.3349 -18.2618 13.6472 GPRESSAVG: 2366800 5.17165 -36.2491 -30.8974 -37.2288 37.8845 -19.6009 -33.9132 -17.6984 14.3915 TIMING: 2366800 CPU: 7478.3, 0.00315219/step Wall: 7478.3, 0.00315219/step, 2.30565 hours remaining, 234.953125 MB of memory in use. ENERGY: 2366800 4036.0822 20590.5806 14438.6930 249.9501 -203453.2411 2747.3215 0.0000 0.0000 51880.1394 -109510.4741 298.1559 -161390.6136 -109148.2100 298.4394 -185.8662 -153.3837 762717.3602 18.8733 19.1492 PRESSURE: 2367000 -213.776 4.36927 -49.6137 4.36935 143.357 -201.553 -49.6141 -201.553 226.338 GPRESSURE: 2367000 -130.808 98.4566 26.1111 -50.6003 120.857 -95.77 -55.8043 -156.117 263.945 PRESSAVG: 2367000 28.5238 -58.5052 -43.9923 -58.5053 -17.8281 32.5429 -43.9923 32.5427 -6.13993 GPRESSAVG: 2367000 29.4729 -59.6656 -43.8599 -58.8873 -19.1377 34.0788 -44.4258 31.1787 -5.87689 TIMING: 2367000 CPU: 7478.94, 0.00317937/step Wall: 7478.94, 0.00317937/step, 2.32535 hours remaining, 234.953125 MB of memory in use. ENERGY: 2367000 4058.2185 20642.0462 14447.2024 240.8676 -203511.9214 2664.7728 0.0000 0.0000 52087.1807 -109371.6332 299.3457 -161458.8139 -109006.0604 299.2307 51.9729 84.6649 762466.3433 1.5186 1.4861 PRESSURE: 2367200 176.583 -186.038 -222.979 -186.038 -527.726 -197.216 -222.98 -197.216 -287.349 GPRESSURE: 2367200 146.564 -120.211 -260.065 -62.9864 -454.032 -329.603 -128.102 -99.5848 -255.065 PRESSAVG: 2367200 0.559831 -61.1549 -22.8796 -61.1549 -21.2123 -7.552 -22.8796 -7.55196 1.61357 GPRESSAVG: 2367200 -0.434441 -60.3626 -23.4097 -60.2246 -20.0782 -8.15331 -19.3242 -6.54667 1.61542 TIMING: 2367200 CPU: 7479.57, 0.00317965/step Wall: 7479.57, 0.00317965/step, 2.32538 hours remaining, 234.953125 MB of memory in use. ENERGY: 2367200 4017.8676 20777.6732 14446.8599 251.5112 -203286.2718 2536.3737 0.0000 0.0000 52017.9798 -109238.0064 298.9480 -161255.9862 -108876.8031 299.0300 -212.8306 -187.5112 761187.0564 -6.3463 -6.2991 PRESSURE: 2367400 13.99 127.499 92.3437 127.501 160.327 14.4704 92.3434 14.4695 -33.9938 GPRESSURE: 2367400 82.5278 123.862 26.6217 104.25 171.358 -63.7234 -24.4386 -53.1411 -29.9585 PRESSAVG: 2367400 30.4304 -15.5609 -63.3737 -15.5608 0.700091 20.0977 -63.3737 20.0977 21.6711 GPRESSAVG: 2367400 30.6015 -15.9 -63.6458 -15.7508 0.68381 20.3893 -67.6497 20.1959 21.7429 TIMING: 2367400 CPU: 7480.2, 0.00315231/step Wall: 7480.2, 0.00315231/step, 2.30522 hours remaining, 234.953125 MB of memory in use. ENERGY: 2367400 3930.6897 20618.7580 14532.6611 240.9320 -203527.1888 2885.9595 0.0000 0.0000 51933.8409 -109384.3476 298.4645 -161318.1885 -109025.7537 299.4668 46.7744 74.6426 761729.7823 17.6005 17.6760 PRESSURE: 2367600 -235.533 126.821 -122.315 126.821 185.909 113.701 -122.314 113.702 -116.726 GPRESSURE: 2367600 -115.839 143.329 -105.268 171.661 221.86 6.19493 -103.548 177.621 -166.754 PRESSAVG: 2367600 -2.16408 -37.8123 -7.04865 -37.8123 -20.3374 -24.1308 -7.0486 -24.1306 27.3671 GPRESSAVG: 2367600 -1.87734 -39.9424 -8.21943 -35.6304 -20.5479 -24.1096 -4.38699 -24.1969 27.2077 TIMING: 2367600 CPU: 7480.83, 0.00313394/step Wall: 7480.83, 0.00313394/step, 2.29161 hours remaining, 234.953125 MB of memory in use. ENERGY: 2367600 3940.3486 20576.5398 14470.2927 251.9644 -203273.4981 2802.5133 0.0000 0.0000 52017.2149 -109214.6243 298.9436 -161231.8392 -108852.5224 299.3279 -55.4498 -20.2440 762046.1749 1.6219 1.5941 PRESSURE: 2367800 18.6768 -192.594 176.05 -192.594 152.892 9.09048 176.05 9.09084 -257.444 GPRESSURE: 2367800 42.3795 -335.949 95.599 -178.857 174.675 -14.5966 225.7 -98.0998 -220.749 PRESSAVG: 2367800 22.1309 -83.3008 -25.0011 -83.3007 32.3059 -9.24388 -25.001 -9.24387 19.7374 GPRESSAVG: 2367800 21.7863 -79.7451 -25.6667 -84.927 33.0968 -9.37146 -25.8765 -10.2012 20.2 TIMING: 2367800 CPU: 7481.45, 0.00312623/step Wall: 7481.45, 0.00312623/step, 2.2858 hours remaining, 234.953125 MB of memory in use. ENERGY: 2367800 3999.4764 20523.4501 14435.5334 232.7807 -203613.9340 2859.5038 0.0000 0.0000 52098.3480 -109464.8416 299.4099 -161563.1896 -109098.1624 299.0270 -28.6250 -1.2317 761372.6602 24.7247 25.0277 PRESSURE: 2368000 54.037 255.026 157.707 255.027 345.205 -89.9975 157.708 -89.9967 365.798 GPRESSURE: 2368000 77.9027 227.141 186.355 251.946 377.629 -121.475 94.2909 -38.1016 391.471 PRESSAVG: 2368000 -30.7094 -65.4229 53.6403 -65.4228 24.0626 8.66314 53.6403 8.66311 4.21502 GPRESSAVG: 2368000 -30.6578 -65.3957 57.9951 -66.0661 23.8422 8.64002 52.846 9.22093 4.02241 TIMING: 2368000 CPU: 7482.08, 0.00313748/step Wall: 7482.08, 0.00313748/step, 2.29385 hours remaining, 234.953125 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: 2368000 3983.3443 20593.5789 14439.8798 248.4027 -203778.9473 3045.2960 0.0000 0.0000 51922.1310 -109546.3146 298.3972 -161468.4456 -109181.0235 298.9837 255.0133 282.3343 761238.0037 -0.8106 -0.9311 PRESSURE: 2368200 24.7613 27.9133 -201.586 27.914 21.4252 -184.443 -201.586 -184.442 76.2427 GPRESSURE: 2368200 27.2263 21.3962 -194.396 28.3887 29.2987 -148.024 -93.9273 -352.915 144.398 PRESSAVG: 2368200 -5.73752 -46.9994 5.02838 -46.9995 -14.1855 14.9182 5.02845 14.9183 -14.7971 GPRESSAVG: 2368200 -5.98395 -49.7201 2.77406 -47.7444 -14.1455 15.0177 5.47194 14.367 -14.4949 TIMING: 2368200 CPU: 7482.71, 0.00314759/step Wall: 7482.71, 0.00314759/step, 2.30107 hours remaining, 234.953125 MB of memory in use. ENERGY: 2368200 4002.4726 20397.8145 14474.0543 269.9700 -203413.6277 2722.3719 0.0000 0.0000 51986.9419 -109560.0023 298.7697 -161546.9443 -109195.4112 298.6040 40.8098 66.9745 761869.5594 -11.5734 -11.5415 LDB: ============= START OF LOAD BALANCING ============== 7495.24 LDB: ============== END OF LOAD BALANCING =============== 7495.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.24 LDB: ============= START OF LOAD BALANCING ============== 7495.56 LDB: Largest compute 7057 load 0.032004 is 16.4% of average load 0.195534 LDB: Average compute 0.004389 is 2.2% of average load 0.195534 LDB: TIME 7495.56 LOAD: AVG 0.195534 MAX 0.217767 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 7495.56 LOAD: AVG 0.195534 MAX 0.217767 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 7495.56 LOAD: AVG 0.195534 MAX 0.217767 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 7495.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7495.57 PRESSURE: 2368400 139.942 68.5757 42.0859 68.5753 82.6687 -102.164 42.0861 -102.164 -211.857 GPRESSURE: 2368400 140.039 -32.9499 39.0302 164.271 163.279 -38.4204 28.3561 -91.6675 -222.934 PRESSAVG: 2368400 10.3994 -56.7838 2.76064 -56.7839 9.72482 1.44593 2.76059 1.44593 3.29144 GPRESSAVG: 2368400 10.1901 -56.5485 2.74741 -55.7131 10.2628 1.18114 3.16873 2.17079 3.07529 TIMING: 2368400 CPU: 7483.35, 0.00320527/step Wall: 7483.35, 0.00320527/step, 2.34305 hours remaining, 236.933594 MB of memory in use. ENERGY: 2368400 3983.0623 20475.8790 14426.6929 245.1007 -203054.4702 2344.3769 0.0000 0.0000 52095.5845 -109483.7739 299.3940 -161579.3584 -109119.0732 298.8612 3.5849 26.7949 762142.7885 7.8052 7.8427 PRESSURE: 2368600 177.871 -75.8468 -89.2339 -75.8475 -116.272 -186.345 -89.2332 -186.344 201.201 GPRESSURE: 2368600 195.135 -90.1567 -97.1765 -55.9331 -134.935 -114.645 -132.851 -256.627 274.207 PRESSAVG: 2368600 -33.3126 -30.4193 -11.662 -30.4192 -4.46817 -18.8226 -11.662 -18.8226 12.2031 GPRESSAVG: 2368600 -33.6671 -29.7561 -12.0359 -30.3622 -4.39626 -17.9701 -11.1685 -20.9096 13.0956 TIMING: 2368600 CPU: 7483.99, 0.00316658/step Wall: 7483.99, 0.00316658/step, 2.3146 hours remaining, 237.000000 MB of memory in use. ENERGY: 2368600 3958.8878 20435.2843 14448.4631 254.0908 -203560.8061 2891.0106 0.0000 0.0000 51948.5334 -109624.5361 298.5489 -161573.0696 -109269.7433 298.9755 87.5998 111.4688 762394.2247 -8.5259 -8.3226 PRESSURE: 2368800 36.9526 -7.86831 243.399 -7.86867 320.47 -106.591 243.399 -106.591 -177.79 GPRESSURE: 2368800 124.76 39.6597 235.54 97.6988 311.349 -174.683 158.667 -61.8009 -163.989 PRESSAVG: 2368800 -23.5153 -46.3704 4.70994 -46.3704 11.9721 -24.0502 4.70991 -24.0502 3.25648 GPRESSAVG: 2368800 -21.5806 -44.8323 4.39236 -47.8266 12.4547 -26.8587 4.05146 -20.8833 0.554065 TIMING: 2368800 CPU: 7484.61, 0.00313618/step Wall: 7484.61, 0.00313618/step, 2.2922 hours remaining, 237.000000 MB of memory in use. ENERGY: 2368800 3906.4464 20332.0972 14476.4197 233.0409 -203346.9608 2908.7194 0.0000 0.0000 51903.6854 -109586.5518 298.2912 -161490.2372 -109218.5734 298.3069 59.8773 90.7066 762871.6618 -2.7622 -2.8573 PRESSURE: 2369000 -34.5566 106.457 21.2355 106.458 184.338 -73.7448 21.2365 -73.745 152.82 GPRESSURE: 2369000 -79.0591 171.867 20.6024 -6.56363 327.456 4.50458 -112.366 -120.234 154.177 PRESSAVG: 2369000 -58.8293 49.8491 -14.492 49.8492 67.0884 20.9666 -14.492 20.9666 15.0223 GPRESSAVG: 2369000 -59.7387 47.9303 -13.332 50.8368 65.3345 23.0728 -14.2377 20.2261 17.1927 TIMING: 2369000 CPU: 7485.24, 0.00314886/step Wall: 7485.24, 0.00314886/step, 2.30129 hours remaining, 237.000000 MB of memory in use. ENERGY: 2369000 4014.9858 20291.6780 14381.7145 246.1937 -203480.5364 2820.1075 0.0000 0.0000 52138.1148 -109587.7421 299.6385 -161725.8569 -109214.1470 298.6242 100.8671 134.1912 762503.7030 7.7605 7.5962 PRESSURE: 2369200 305.845 -46.213 -235.361 -46.212 318.905 11.3681 -235.361 11.3678 248.218 GPRESSURE: 2369200 329.053 -0.138285 -268.739 -24.7569 321.056 35.6962 -225.927 20.4024 301.875 PRESSAVG: 2369200 -24.6677 -16.944 -4.88131 -16.944 29.4421 -8.52113 -4.88138 -8.52116 -5.02597 GPRESSAVG: 2369200 -26.241 -16.3478 -5.86365 -15.3063 31.0835 -7.80946 -4.45088 -7.77683 -4.93984 TIMING: 2369200 CPU: 7485.87, 0.00314892/step Wall: 7485.87, 0.00314892/step, 2.30116 hours remaining, 237.000000 MB of memory in use. ENERGY: 2369200 3933.7121 20491.9904 14420.7454 240.5610 -203627.5814 2780.2941 0.0000 0.0000 52188.6705 -109571.6079 299.9290 -161760.2784 -109204.0883 298.6520 290.9891 317.3277 764346.0700 -0.0839 -0.0325 PRESSURE: 2369400 43.9825 197.353 -218.123 197.353 -23.2265 84.523 -218.123 84.5232 71.3096 GPRESSURE: 2369400 84.4055 166.704 -181.008 130.766 -42.7008 101.419 -207.036 -26.5511 118.188 PRESSAVG: 2369400 -65.6498 16.6376 -21.4891 16.6376 56.026 32.7814 -21.4891 32.7814 21.3698 GPRESSAVG: 2369400 -64.5182 17.36 -20.514 15.1639 55.2436 31.927 -22.0769 30.6185 21.0407 TIMING: 2369400 CPU: 7486.5, 0.00315191/step Wall: 7486.5, 0.00315191/step, 2.30317 hours remaining, 237.000000 MB of memory in use. ENERGY: 2369400 3952.9956 20523.9430 14427.8668 254.2965 -203756.3897 2959.5841 0.0000 0.0000 52023.6288 -109614.0748 298.9805 -161637.7036 -109254.0362 298.8791 30.6885 53.2975 765035.7602 3.9153 3.9220 PRESSURE: 2369600 -177.917 78.311 -74.2112 78.3115 -162.176 6.27473 -74.2112 6.27466 116.016 GPRESSURE: 2369600 -171.788 138.344 -111.016 47.5604 -143.245 64.8428 4.7319 -8.90414 175.71 PRESSAVG: 2369600 -78.2781 -24.1829 -0.575668 -24.1829 59.4198 13.1142 -0.575701 13.1141 -10.6337 GPRESSAVG: 2369600 -78.2683 -23.3314 -1.96778 -25.4183 59.2527 11.942 0.412618 15.7895 -10.3941 TIMING: 2369600 CPU: 7487.14, 0.00316069/step Wall: 7487.14, 0.00316069/step, 2.30941 hours remaining, 237.000000 MB of memory in use. ENERGY: 2369600 4030.3996 20541.3174 14435.3611 246.3332 -203264.1213 2610.3002 0.0000 0.0000 51878.3964 -109522.0135 298.1459 -161400.4099 -109167.2654 298.3241 -74.6924 -46.4408 764467.2226 -9.8307 -9.8033 PRESSURE: 2369800 201.27 -65.8303 -82.5036 -65.8309 324.119 218.318 -82.5032 218.318 455.181 GPRESSURE: 2369800 204.543 11.0072 -41.908 -125.753 380.251 223.91 -107.16 264.432 487.941 PRESSAVG: 2369800 -81.657 -15.5111 -53.544 -15.5111 78.3473 52.7139 -53.544 52.7138 16.4672 GPRESSAVG: 2369800 -80.3711 -16.1716 -53.4921 -14.16 77.1885 52.7279 -52.6374 51.6805 17.0264 TIMING: 2369800 CPU: 7487.77, 0.00315382/step Wall: 7487.77, 0.00315382/step, 2.30422 hours remaining, 237.000000 MB of memory in use. ENERGY: 2369800 3954.0206 20435.6257 14419.4978 252.7913 -203523.4726 2809.8929 0.0000 0.0000 52082.9021 -109568.7422 299.3212 -161651.6443 -109204.1164 298.3219 326.8567 357.5783 760166.1458 4.3859 4.6146 PRESSURE: 2370000 -322.024 68.6535 -164.045 68.6528 -193.278 117.626 -164.045 117.627 86.0755 GPRESSURE: 2370000 -230.542 55.7373 -136.43 19.6825 -220.947 26.8551 -231.618 158.153 93.3097 PRESSAVG: 2370000 -74.4725 -13.6139 -20.8015 -13.6139 47.0684 41.897 -20.8015 41.8971 12.764 GPRESSAVG: 2370000 -75.1585 -14.8994 -19.7924 -12.7504 48.2112 42.7934 -22.8773 42.0603 11.481 TIMING: 2370000 CPU: 7488.4, 0.00315974/step Wall: 7488.4, 0.00315974/step, 2.30836 hours remaining, 237.000000 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: 2370000 3998.2967 20587.5453 14395.4574 248.2468 -203667.9208 2719.2541 0.0000 0.0000 52055.7460 -109663.3745 299.1651 -161719.1205 -109302.4100 298.1965 -143.0756 -119.3929 762798.4043 -4.8800 -5.1554 PRESSURE: 2370200 120.801 49.2784 -137.902 49.2784 -440.455 -54.8331 -137.902 -54.8328 -22.2842 GPRESSURE: 2370200 117.996 149.476 -170.409 113.337 -342.085 -21.3874 -54.692 -21.4419 -69.4512 PRESSAVG: 2370200 -26.7527 14.8693 -4.40655 14.8693 -2.57932 35.9926 -4.40662 35.9926 27.0694 GPRESSAVG: 2370200 -26.6981 17.1852 -3.63869 11.8226 -3.18043 35.2408 -4.97658 36.6271 27.6032 TIMING: 2370200 CPU: 7489.03, 0.00315612/step Wall: 7489.03, 0.00315612/step, 2.30554 hours remaining, 237.000000 MB of memory in use. ENERGY: 2370200 3898.6002 20569.4237 14430.3953 253.0213 -203129.5412 2716.1701 0.0000 0.0000 51689.1646 -109572.7661 297.0583 -161261.9306 -109218.9044 298.2001 -113.9795 -97.8466 763168.5105 -0.7542 -0.7585 PRESSURE: 2370400 -374.769 -135.49 12.6743 -135.491 -348.887 218.614 12.6736 218.615 -61.9322 GPRESSURE: 2370400 -341.935 -96.929 -3.13633 -136.069 -246.92 240.938 -117.846 113.925 -120.066 PRESSAVG: 2370400 15.4058 -1.19833 -17.7561 -1.19829 1.1115 -8.61093 -17.7561 -8.61095 4.77731 GPRESSAVG: 2370400 15.1428 -1.77576 -18.9977 -0.255194 1.26556 -6.53487 -16.3603 -10.8542 4.27579 TIMING: 2370400 CPU: 7489.66, 0.00315382/step Wall: 7489.66, 0.00315382/step, 2.30369 hours remaining, 237.000000 MB of memory in use. ENERGY: 2370400 4095.5733 20535.4713 14442.7052 250.3930 -203323.8903 2596.3704 0.0000 0.0000 52007.6461 -109395.7310 298.8887 -161403.3771 -109038.4206 298.5654 -261.8626 -236.3073 764316.5837 7.0982 6.8947 PRESSURE: 2370600 -280.919 -39.1503 -113.335 -39.1506 -128.062 360.515 -113.335 360.515 -142.209 GPRESSURE: 2370600 -212.853 -50.0789 -110.259 -27.7926 -111.704 385.564 -57.5333 129.915 -134.274 PRESSAVG: 2370600 -45.6739 -4.14116 -47.3297 -4.14118 34.8712 33.0036 -47.3297 33.0036 -21.317 GPRESSAVG: 2370600 -47.2963 -4.51215 -46.0551 -3.53852 36.4153 32.9885 -49.5932 33.2949 -20.8796 TIMING: 2370600 CPU: 7490.29, 0.00312563/step Wall: 7490.29, 0.00312563/step, 2.28293 hours remaining, 237.000000 MB of memory in use. ENERGY: 2370600 4100.2336 20546.2802 14434.1514 258.5772 -203346.3049 2788.9943 0.0000 0.0000 51962.4005 -109255.6677 298.6286 -161218.0682 -108894.9966 299.0958 -183.7298 -152.9437 762093.9034 -10.7065 -10.5869 PRESSURE: 2370800 -63.1147 160.49 -167.053 160.49 -245.082 -253.822 -167.053 -253.821 155.564 GPRESSURE: 2370800 -83.2685 22.5643 -86.7317 73.4789 -169.244 -282.215 -208.837 -239.181 184.587 PRESSAVG: 2370800 -4.98952 -38.4739 -52.8509 -38.4739 2.85017 49.3208 -52.851 49.3208 0.946652 GPRESSAVG: 2370800 -1.89719 -39.3828 -53.7204 -37.601 0.76196 47.7484 -51.9197 50.1541 -0.0873116 TIMING: 2370800 CPU: 7490.91, 0.00312757/step Wall: 7490.91, 0.00312757/step, 2.28417 hours remaining, 237.000000 MB of memory in use. ENERGY: 2370800 3943.8434 20449.9468 14499.1365 250.2623 -202856.3864 2571.3348 0.0000 0.0000 51975.4446 -109166.4179 298.7036 -161141.8625 -108794.4123 299.0441 -50.8775 -22.6419 761697.5362 -0.3976 -0.4075 PRESSURE: 2371000 -59.6309 36.2439 -10.7404 36.2442 178.512 196.919 -10.7422 196.918 105.853 GPRESSURE: 2371000 34.8023 46.4022 69.4343 110.348 107.511 165.915 -20.5847 362.323 168.199 PRESSAVG: 2371000 -1.37953 -49.4852 -27.7754 -49.4852 -11.7734 14.0184 -27.7754 14.0184 23.9215 GPRESSAVG: 2371000 -3.15476 -48.2027 -26.253 -49.9924 -10.8321 16.3525 -27.2116 12.974 24.4881 TIMING: 2371000 CPU: 7491.54, 0.00314937/step Wall: 7491.54, 0.00314937/step, 2.29991 hours remaining, 237.000000 MB of memory in use. ENERGY: 2371000 3991.7023 20506.9601 14444.2859 245.3796 -203462.1361 2865.9281 0.0000 0.0000 51973.4988 -109434.3812 298.6924 -161407.8800 -109074.7039 299.0836 74.9114 103.5041 762398.7805 3.5895 3.5004 PRESSURE: 2371200 -392.415 112.5 78.0603 112.499 -324.778 186.084 78.0596 186.085 -83.7603 GPRESSURE: 2371200 -312.28 135.319 79.2062 96.5031 -373.78 151.869 79.8992 66.6951 -35.557 PRESSAVG: 2371200 5.22847 -47.8809 -22.8103 -47.8809 -14.8742 3.8892 -22.8103 3.88909 -4.4591 GPRESSAVG: 2371200 5.67727 -47.2319 -24.6474 -48.9695 -15.3476 1.01877 -23.3667 3.86104 -4.46423 TIMING: 2371200 CPU: 7492.17, 0.003145/step Wall: 7492.17, 0.003145/step, 2.29655 hours remaining, 237.000000 MB of memory in use. ENERGY: 2371200 3987.5595 20602.2360 14414.7764 262.7592 -203241.9432 2637.5357 0.0000 0.0000 52002.0049 -109335.0714 298.8562 -161337.0763 -108976.1702 299.1176 -266.9845 -240.5388 762375.1882 -4.7016 -4.7115 PRESSURE: 2371400 -113.851 -177.904 169.024 -177.904 3.81452 127.767 169.025 127.767 -133.791 GPRESSURE: 2371400 -200.399 -166.744 171.536 -153.987 23.9327 163.807 167.304 138.287 23.6702 PRESSAVG: 2371400 -121.609 24.8574 42.405 24.8574 87.8626 -16.9463 42.405 -16.9462 -14.8701 GPRESSAVG: 2371400 -120.761 24.7294 42.8457 24.3429 87.9841 -15.8125 41.7995 -15.3167 -15.3208 TIMING: 2371400 CPU: 7492.8, 0.00314887/step Wall: 7492.8, 0.00314887/step, 2.2992 hours remaining, 237.000000 MB of memory in use. ENERGY: 2371400 3963.6964 20555.4343 14468.0056 236.7139 -203003.2182 2321.9619 0.0000 0.0000 52312.2708 -109145.1354 300.6393 -161457.4061 -108778.4045 299.3615 -81.2761 -50.9320 762617.4545 -16.2054 -16.0325 PRESSURE: 2371600 291.603 -72.2847 -174.088 -72.2835 283.949 168.763 -174.087 168.764 -73.7609 GPRESSURE: 2371600 247.938 -94.8535 -125.618 -143.631 363.045 83.4128 -155.71 18.4531 -23.249 PRESSAVG: 2371600 -11.2561 -43.9376 40.1907 -43.9377 24.9848 -38.2514 40.1908 -38.2514 25.4709 GPRESSAVG: 2371600 -12.7393 -44.6508 40.9841 -43.7195 26.0224 -40.8496 40.2689 -39.995 26.1444 TIMING: 2371600 CPU: 7493.43, 0.00314837/step Wall: 7493.43, 0.00314837/step, 2.29866 hours remaining, 237.000000 MB of memory in use. ENERGY: 2371600 4059.2775 20403.5581 14386.5017 249.3475 -203094.8095 2755.9387 0.0000 0.0000 51977.1391 -109263.0470 298.7133 -161240.1860 -108906.5767 299.4980 167.2635 195.9113 762988.9947 13.0666 13.1425 PRESSURE: 2371800 242.745 -128.806 69.6993 -128.806 47.7908 -226.419 69.6998 -226.418 -177.641 GPRESSURE: 2371800 196.028 -43.4914 4.78635 -136.595 101.705 -190.346 136.964 -184.467 -112.809 PRESSAVG: 2371800 -12.0712 -48.9121 14.6121 -48.912 30.5185 -21.5508 14.6121 -21.5508 27.5535 GPRESSAVG: 2371800 -11.378 -47.5739 13.434 -48.1683 29.4532 -18.1218 18.3028 -20.8618 27.7087 TIMING: 2371800 CPU: 7494.06, 0.00314138/step Wall: 7494.06, 0.00314138/step, 2.29338 hours remaining, 237.000000 MB of memory in use. ENERGY: 2371800 4027.7385 20706.3156 14461.8668 240.8553 -203361.3868 2682.2415 0.0000 0.0000 52122.1343 -109120.2347 299.5466 -161242.3690 -108762.0452 299.3243 37.6315 61.6416 760371.5062 15.3336 15.2613 PRESSURE: 2372000 295.615 -205.553 -40.6995 -205.553 340.025 128.749 -40.6994 128.749 163.09 GPRESSURE: 2372000 255.292 -260.585 -28.3433 -143.01 364.573 174.935 -15.0322 77.8116 255.163 PRESSAVG: 2372000 -76.7672 -28.0482 13.2515 -28.0482 84.9612 -5.53537 13.2515 -5.53536 -7.77939 GPRESSAVG: 2372000 -76.7689 -27.408 14.6532 -27.202 85.1048 -7.42165 11.5213 -6.35945 -7.70249 TIMING: 2372000 CPU: 7494.69, 0.00314234/step Wall: 7494.69, 0.00314234/step, 2.29391 hours remaining, 237.000000 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: 2372000 3941.3703 20563.8579 14531.6639 246.3514 -203959.4352 3183.3657 0.0000 0.0000 52524.3532 -108968.4728 301.8582 -161492.8260 -108602.2115 299.5955 266.2433 291.6762 761741.6477 0.1382 0.2111 PRESSURE: 2372200 -635.411 -138.78 318.722 -138.78 -122.18 206.533 318.722 206.533 -263.236 GPRESSURE: 2372200 -493.275 2.35891 367.82 -161.662 -120.141 179.551 146.291 250.009 -317.595 PRESSAVG: 2372200 -44.2447 -32.4772 35.7994 -32.4772 75.6147 -17.7881 35.7995 -17.788 -6.3258 GPRESSAVG: 2372200 -44.0503 -33.0795 36.6213 -33.8187 75.4801 -17.7934 33.6519 -15.7932 -6.17837 TIMING: 2372200 CPU: 7495.31, 0.00313837/step Wall: 7495.31, 0.00313837/step, 2.29083 hours remaining, 237.000000 MB of memory in use. ENERGY: 2372200 4031.6339 20640.5591 14435.4277 246.3585 -203212.7947 2477.7985 0.0000 0.0000 52220.0293 -109160.9877 300.1092 -161381.0170 -108810.2726 300.1786 -340.2756 -310.3374 762825.1014 8.3481 8.4171 LDB: ============= START OF LOAD BALANCING ============== 7507.85 LDB: ============== END OF LOAD BALANCING =============== 7507.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7507.85 LDB: ============= START OF LOAD BALANCING ============== 7508.16 LDB: Largest compute 7054 load 0.032404 is 16.6% of average load 0.195637 LDB: Average compute 0.004393 is 2.2% of average load 0.195637 LDB: TIME 7508.17 LOAD: AVG 0.195637 MAX 0.215923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 7508.17 LOAD: AVG 0.195637 MAX 0.215923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.992 MB LDB: TIME 7508.17 LOAD: AVG 0.195637 MAX 0.215923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.992 MB LDB: ============== END OF LOAD BALANCING =============== 7508.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7508.18 PRESSURE: 2372400 -261.892 -398.61 10.7298 -398.61 -91.9822 -198.236 10.7298 -198.236 429.511 GPRESSURE: 2372400 -202.253 -261.114 -69.2649 -488.483 -67.9202 -175.633 75.0745 -387.887 435.543 PRESSAVG: 2372400 -12.9519 -8.02102 77.6848 -8.02105 -18.9336 -15.1184 77.6849 -15.1185 0.126748 GPRESSAVG: 2372400 -11.9535 -8.68153 76.2807 -7.90973 -18.8646 -14.0089 79.3427 -16.3509 -0.995038 TIMING: 2372400 CPU: 7495.96, 0.00322327/step Wall: 7495.96, 0.00322327/step, 2.35263 hours remaining, 235.453125 MB of memory in use. ENERGY: 2372400 3996.7493 20693.9404 14441.8841 250.5629 -203878.9151 3139.4370 0.0000 0.0000 52072.3023 -109284.0391 299.2602 -161356.3414 -108926.5055 299.3657 25.2123 55.1232 761471.6824 -10.5862 -10.6044 PRESSURE: 2372600 197.475 19.3386 -158.16 19.3376 95.5648 -91.0882 -158.159 -91.0885 -110.16 GPRESSURE: 2372600 258.527 -86.3818 -236.431 56.4568 57.1661 9.78648 -110.969 -149.929 -42.5232 PRESSAVG: 2372600 -24.1276 -5.01666 -51.0042 -5.01677 42.9177 -33.698 -51.0042 -33.6981 -20.657 GPRESSAVG: 2372600 -25.2669 -5.9177 -50.7299 -1.79169 43.3832 -34.0728 -51.8943 -33.8431 -20.0052 TIMING: 2372600 CPU: 7496.58, 0.00312619/step Wall: 7496.58, 0.00312619/step, 2.2816 hours remaining, 235.453125 MB of memory in use. ENERGY: 2372600 4012.6107 20544.4535 14450.8676 262.5116 -203510.1543 3101.5601 0.0000 0.0000 51858.0135 -109280.1373 298.0287 -161138.1508 -108921.9761 299.0071 60.9599 91.0566 763700.3970 -0.6223 -0.6296 PRESSURE: 2372800 -66.2858 -14.3252 -90.7172 -14.3253 33.4104 -50.2868 -90.7167 -50.2888 -3.65117 GPRESSURE: 2372800 -43.464 -61.9294 -95.7256 -72.6586 45.4001 -62.4744 6.18514 -53.8249 34.2295 PRESSAVG: 2372800 -40.09 59.8332 5.70217 59.8332 -16.9593 -29.5607 5.70214 -29.5608 -9.98941 GPRESSAVG: 2372800 -39.4622 58.4028 4.94832 57.0945 -17.5192 -30.3301 8.87039 -29.8 -9.77693 TIMING: 2372800 CPU: 7497.21, 0.00313262/step Wall: 7497.21, 0.00313262/step, 2.28612 hours remaining, 235.453125 MB of memory in use. ENERGY: 2372800 3969.8140 20527.7608 14443.1925 236.6643 -203262.0546 2639.1974 0.0000 0.0000 52045.1044 -109400.3213 299.1039 -161445.4257 -109036.9329 299.3202 -12.1755 12.0552 763938.4143 -22.3462 -22.2528 PRESSURE: 2373000 -188.968 69.8079 175.416 69.8087 -245.403 -45.1995 175.416 -45.1999 -459.932 GPRESSURE: 2373000 -183.354 143.296 230.017 113.09 -206.175 -80.895 192.089 -47.9963 -424.642 PRESSAVG: 2373000 -8.22987 -16.8083 37.3001 -16.8084 56.1935 19.2146 37.3001 19.2146 -5.99433 GPRESSAVG: 2373000 -9.90323 -13.7779 38.3693 -16.6468 57.1471 19.0149 36.06 21.0623 -5.44989 TIMING: 2373000 CPU: 7497.84, 0.00314111/step Wall: 7497.84, 0.00314111/step, 2.29214 hours remaining, 235.652344 MB of memory in use. ENERGY: 2373000 3960.6010 20580.8466 14428.1347 238.4149 -203141.3679 2687.8554 0.0000 0.0000 51692.2753 -109553.2399 297.0762 -161245.5152 -109186.0462 298.7200 -298.1010 -271.3903 761731.9180 13.9898 13.9313 PRESSURE: 2373200 -28.158 74.4282 255.726 74.4273 -154.126 -80.5635 255.725 -80.5635 -333.33 GPRESSURE: 2373200 -61.2109 60.1107 230.019 -34.9631 -76.5331 -15.0886 284.679 34.579 -301.833 PRESSAVG: 2373200 -13.0849 0.862602 8.57885 0.862602 5.04446 27.1739 8.57879 27.1739 26.3216 GPRESSAVG: 2373200 -12.5077 -1.43274 7.2189 0.951458 5.27851 27.0326 8.76523 25.6862 26.3436 TIMING: 2373200 CPU: 7498.46, 0.00312854/step Wall: 7498.46, 0.00312854/step, 2.28279 hours remaining, 235.652344 MB of memory in use. ENERGY: 2373200 3997.4676 20542.6089 14385.1316 253.4865 -203486.8177 2721.2671 0.0000 0.0000 52106.8936 -109479.9623 299.4590 -161586.8559 -109115.2897 298.5415 -171.8712 -146.5256 762396.4681 6.0937 6.3715 PRESSURE: 2373400 -230.704 -322.422 -131.438 -322.423 -281.216 240.977 -131.438 240.978 -32.949 GPRESSURE: 2373400 -215.422 -301.81 -63.182 -215.942 -182.368 208.799 -122.045 218.393 -67.7659 PRESSAVG: 2373400 50.455 -14.0137 -53.9678 -14.0137 -28.1678 28.3689 -53.9678 28.3689 16.3945 GPRESSAVG: 2373400 50.0412 -12.054 -52.0967 -13.3799 -28.5181 29.2039 -55.2395 29.5993 16.6073 TIMING: 2373400 CPU: 7499.09, 0.00312907/step Wall: 7499.09, 0.00312907/step, 2.283 hours remaining, 235.652344 MB of memory in use. ENERGY: 2373400 3993.1948 20390.3705 14429.2637 261.2916 -203197.5076 2593.3922 0.0000 0.0000 51850.9331 -109679.0617 297.9880 -161529.9948 -109318.8038 298.4303 -181.6230 -155.1852 760788.8543 12.8939 12.7101 PRESSURE: 2373600 -81.977 125.549 -47.5193 125.549 -257.363 -88.0177 -47.5197 -88.0161 -405.932 GPRESSURE: 2373600 -94.579 43.3877 -96.1166 243.829 -151.499 -89.7403 -17.1307 -18.6927 -434.325 PRESSAVG: 2373600 -24.35 28.9002 -0.643218 28.9001 5.29909 40.0858 -0.643183 40.0858 14.9145 GPRESSAVG: 2373600 -23.5285 28.4125 -3.15874 29.0103 5.85909 39.7308 -0.299348 41.8614 13.5137 TIMING: 2373600 CPU: 7499.72, 0.00313192/step Wall: 7499.72, 0.00313192/step, 2.28491 hours remaining, 235.652344 MB of memory in use. ENERGY: 2373600 4021.6271 20530.0387 14417.6083 231.5072 -203436.9537 2565.4539 0.0000 0.0000 51970.7715 -109699.9469 298.6767 -161670.7184 -109333.0567 298.0747 -248.4239 -226.8011 759663.8057 -1.3788 -1.3853 PRESSURE: 2373800 321.481 -242.034 -71.5181 -242.034 413.263 -27.2845 -71.5188 -27.2833 26.8347 GPRESSURE: 2373800 448.326 -250.957 -50.8309 -185.895 355.081 -120.718 -16.1097 89.066 46.7952 PRESSAVG: 2373800 -4.89701 18.3256 8.30369 18.3256 8.37367 24.9057 8.30376 24.9057 -6.81561 GPRESSAVG: 2373800 -4.39617 17.2718 10.2378 17.4834 7.31947 25.0806 8.02473 21.0916 -5.84602 TIMING: 2373800 CPU: 7500.35, 0.00315271/step Wall: 7500.35, 0.00315271/step, 2.2999 hours remaining, 235.652344 MB of memory in use. ENERGY: 2373800 3907.4586 20319.8200 14363.9706 259.1645 -203558.8107 2843.1288 0.0000 0.0000 52081.3185 -109783.9497 299.3121 -161865.2681 -109427.0179 298.2189 253.8593 283.4006 760256.3863 -1.1130 -0.9742 PRESSURE: 2374000 35.6134 249.409 95.9836 249.408 126.09 21.1498 95.9834 21.1484 -19.2133 GPRESSURE: 2374000 42.8949 304.123 94.2008 167.684 155.525 79.7334 24.5905 41.056 -0.308904 PRESSAVG: 2374000 -4.04222 -9.70961 0.753543 -9.70965 -22.298 4.78977 0.753501 4.78969 -17.0559 GPRESSAVG: 2374000 -4.89822 -7.30508 -1.73952 -8.62039 -21.7912 7.11832 2.71621 5.71322 -16.9851 TIMING: 2374000 CPU: 7500.98, 0.00315304/step Wall: 7500.98, 0.00315304/step, 2.29997 hours remaining, 235.652344 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: 2374000 3994.1338 20478.2175 14457.7190 235.0680 -203218.6690 2648.0577 0.0000 0.0000 51757.0930 -109648.3800 297.4487 -161405.4729 -109302.0846 297.9283 47.4966 66.0370 761069.5009 -14.4654 -14.5582 PRESSURE: 2374200 240.339 -209.51 -97.1915 -209.51 -14.1708 -95.4134 -97.1912 -95.4125 204.546 GPRESSURE: 2374200 160.136 -206.29 -75.7271 -247.925 168.627 -137.478 -92.7219 -45.4609 172.402 PRESSAVG: 2374200 8.95407 -48.1881 4.0541 -48.1882 -13.3379 34.0326 4.05409 34.0327 15.1279 GPRESSAVG: 2374200 8.80805 -48.4728 4.78949 -49.4761 -12.1947 31.8657 3.66809 34.1183 14.3359 TIMING: 2374200 CPU: 7501.61, 0.00313976/step Wall: 7501.61, 0.00313976/step, 2.2901 hours remaining, 235.652344 MB of memory in use. ENERGY: 2374200 3959.7763 20518.2695 14408.2258 244.3640 -203491.2208 2786.3035 0.0000 0.0000 51911.9436 -109662.3380 298.3387 -161574.2816 -109305.3927 298.4793 143.5714 167.0549 761056.3017 3.5814 3.6497 PRESSURE: 2374400 271.769 150.794 46.1783 150.793 137.95 -278.992 46.1785 -278.993 -2.84588 GPRESSURE: 2374400 270.368 162.587 46.2317 153.392 192.172 -268.747 58.2961 -332.724 9.70067 PRESSAVG: 2374400 -11.994 0.321357 9.24506 0.321433 36.9257 -11.3556 9.24511 -11.3557 -21.8017 GPRESSAVG: 2374400 -12.7101 -2.88029 9.4298 0.811308 36.996 -11.9132 8.88808 -11.0168 -20.8984 TIMING: 2374400 CPU: 7502.23, 0.00313675/step Wall: 7502.23, 0.00313675/step, 2.28774 hours remaining, 235.652344 MB of memory in use. ENERGY: 2374400 4007.4946 20528.5372 14427.4895 237.0607 -203755.1583 2928.3202 0.0000 0.0000 52162.4470 -109463.8092 299.7783 -161626.2562 -109117.0571 298.7501 135.6245 157.4136 761067.0697 1.0434 1.1292 PRESSURE: 2374600 -405.14 -21.8684 39.8934 -21.8683 214.094 103.478 39.8934 103.478 -16.8291 GPRESSURE: 2374600 -305.937 -52.4491 -16.2341 -17.5626 182.403 42.6723 -37.7168 122.925 -2.52116 PRESSAVG: 2374600 -27.4844 -13.797 -39.6195 -13.797 18.8 -37.09 -39.6194 -37.09 -5.40849 GPRESSAVG: 2374600 -26.9178 -13.221 -38.72 -14.7217 18.1138 -35.9443 -40.6119 -36.5224 -5.53992 TIMING: 2374600 CPU: 7502.86, 0.00313993/step Wall: 7502.86, 0.00313993/step, 2.28988 hours remaining, 235.652344 MB of memory in use. ENERGY: 2374600 4002.4608 20590.0632 14459.7368 240.9795 -202749.8075 2140.4758 0.0000 0.0000 51730.4966 -109585.5948 297.2959 -161316.0914 -109220.0887 298.7370 -69.2914 -42.0185 760410.5472 -4.6976 -4.7813 PRESSURE: 2374800 -169.893 18.5956 -159.474 18.5965 -203.053 35.7791 -159.474 35.7789 -44.4984 GPRESSURE: 2374800 -129.509 89.8319 -173.497 -48.0164 -135.576 -95.2949 -36.5502 43.8107 -57.2123 PRESSAVG: 2374800 -33.6174 -36.9342 -32.8762 -36.9342 31.9982 -11.9135 -32.8763 -11.9135 18.2129 GPRESSAVG: 2374800 -33.3286 -37.1758 -34.3555 -33.2571 32.4634 -13.6154 -31.3221 -12.2109 17.7755 TIMING: 2374800 CPU: 7503.49, 0.00313716/step Wall: 7503.49, 0.00313716/step, 2.28769 hours remaining, 235.652344 MB of memory in use. ENERGY: 2374800 4057.0857 20475.5570 14462.0519 253.1756 -203109.0402 2655.3188 0.0000 0.0000 51712.9846 -109492.8667 297.1952 -161205.8512 -109130.4923 298.2598 -139.1480 -107.4326 760293.5564 5.5312 5.6368 PRESSURE: 2375000 222.081 -57.7747 13.3712 -57.7739 -69.8968 350.948 13.3712 350.947 -88.9062 GPRESSURE: 2375000 234.926 -16.9665 43.5929 60.0838 41.7694 345.979 92.7707 297.776 -137.232 PRESSAVG: 2375000 -19.5094 -79.2701 -0.236307 -79.2701 5.29179 -24.1708 -0.23632 -24.1708 5.692 GPRESSAVG: 2375000 -19.7386 -77.5224 -0.30959 -80.62 5.04713 -22.644 0.0835647 -22.9849 5.662 TIMING: 2375000 CPU: 7504.11, 0.00312362/step Wall: 7504.11, 0.00312362/step, 2.27764 hours remaining, 235.652344 MB of memory in use. ENERGY: 2375000 3909.2805 20460.4319 14422.3063 251.8036 -203199.6330 2578.3988 0.0000 0.0000 51974.6104 -109602.8014 298.6988 -161577.4118 -109238.8112 298.3645 21.0925 46.4877 761322.4271 -2.8419 -3.0098 PRESSURE: 2375200 183.504 55.1767 -35.2685 55.1761 -18.2437 39.2982 -35.2682 39.2956 -423.605 GPRESSURE: 2375200 100.808 20.2579 -14.901 79.3076 78.5817 -64.4968 -48.6146 49.4393 -365.175 PRESSAVG: 2375200 -10.0745 14.3162 72.0976 14.3162 100.916 36.747 72.0977 36.7469 -16.9058 GPRESSAVG: 2375200 -9.38622 12.4105 71.8491 13.5528 101.444 35.9807 70.7002 37.9347 -17.6818 TIMING: 2375200 CPU: 7504.74, 0.00312678/step Wall: 7504.74, 0.00312678/step, 2.27977 hours remaining, 235.652344 MB of memory in use. ENERGY: 2375200 3947.3079 20617.7155 14439.5010 255.5999 -203224.7049 2487.9679 0.0000 0.0000 51806.2091 -109670.4035 297.7310 -161476.6126 -109311.4661 298.4024 -86.1148 -61.9282 762222.0640 24.6452 24.7919 PRESSURE: 2375400 -107.311 -147.05 -283.023 -147.05 -25.9637 -167.824 -283.023 -167.824 95.8968 GPRESSURE: 2375400 4.20558 -43.4442 -184.688 -124.08 34.2748 -74.2063 -223.28 -54.4653 1.22815 PRESSAVG: 2375400 -18.7338 -64.5951 -34.6539 -64.5951 6.91548 -54.7073 -34.6539 -54.7074 20.5313 GPRESSAVG: 2375400 -19.6065 -63.1817 -31.9508 -66.4947 6.3279 -54.4709 -36.4014 -55.5296 22.1045 TIMING: 2375400 CPU: 7505.36, 0.00313247/step Wall: 7505.36, 0.00313247/step, 2.28374 hours remaining, 235.652344 MB of memory in use. ENERGY: 2375400 4046.3377 20647.8296 14408.7413 230.1105 -203493.2822 2680.7782 0.0000 0.0000 51970.9855 -109508.4994 298.6780 -161479.4849 -109152.6475 298.5228 -12.4592 13.2362 761929.1132 2.9043 2.9420 PRESSURE: 2375600 15.9537 40.0369 17.6225 40.037 -163.713 -138.291 17.6229 -138.292 127.622 GPRESSURE: 2375600 -26.8598 -62.5418 39.611 -6.81121 -125.251 -119.158 -24.2709 -163.003 212.837 PRESSAVG: 2375600 -4.99686 -23.4663 -11.454 -23.4663 61.4653 -7.72267 -11.454 -7.72258 20.9482 GPRESSAVG: 2375600 -4.89824 -23.774 -13.5459 -19.9308 61.3551 -9.07867 -9.84533 -8.22135 20.7586 TIMING: 2375600 CPU: 7505.99, 0.00312265/step Wall: 7505.99, 0.00312265/step, 2.27641 hours remaining, 235.652344 MB of memory in use. ENERGY: 2375600 4022.7749 20662.3837 14486.7716 248.2583 -203521.5577 2724.0510 0.0000 0.0000 51841.3361 -109535.9820 297.9329 -161377.3181 -109170.7033 298.5526 -6.7123 20.2421 761936.4769 25.8055 25.7385 PRESSURE: 2375800 -12.5588 -190.486 43.3007 -190.485 -130.057 -253.195 43.3006 -253.196 -49.2866 GPRESSURE: 2375800 43.294 -187.757 32.9215 -110.24 -69.6818 -260.175 40.0663 -184.094 -74.859 PRESSAVG: 2375800 -59.4072 -28.0162 12.9205 -28.0162 25.1908 28.6 12.9205 28.6 4.23117 GPRESSAVG: 2375800 -60.1634 -27.9758 12.4381 -31.464 26.1619 29.8529 11.7708 28.583 4.01289 TIMING: 2375800 CPU: 7506.61, 0.00312522/step Wall: 7506.61, 0.00312522/step, 2.27811 hours remaining, 235.652344 MB of memory in use. ENERGY: 2375800 3930.2510 20530.0012 14488.1094 257.7450 -203168.3105 2576.7522 0.0000 0.0000 51844.3933 -109541.0584 297.9504 -161385.4517 -109188.4398 298.7177 -63.9675 -33.7489 762386.1546 -9.9951 -9.9962 PRESSURE: 2376000 165.19 -103.827 -152.492 -103.826 337.692 228.684 -152.491 228.683 510.749 GPRESSURE: 2376000 274.833 -96.5274 -136.807 -199.302 374.179 311.786 -122.49 116.38 460.513 PRESSAVG: 2376000 -62.1124 -32.0533 -22.3794 -32.0533 32.4995 -14.1244 -22.3794 -14.1244 -16.1911 GPRESSAVG: 2376000 -61.5233 -33.7628 -21.0457 -31.3153 31.8414 -14.2226 -19.8081 -13.4117 -16.7709 TIMING: 2376000 CPU: 7507.24, 0.00311236/step Wall: 7507.24, 0.00311236/step, 2.26857 hours remaining, 235.652344 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: 2376000 3882.1636 20509.5206 14429.8339 247.1330 -204081.1362 3100.7386 0.0000 0.0000 52124.3489 -109787.3976 299.5593 -161911.7465 -109424.7892 298.4822 337.8768 369.8415 760339.6446 -15.2680 -15.4843 PRESSURE: 2376200 -224.609 -34.3033 -13.5073 -34.3029 -101.498 40.8327 -13.5071 40.8327 -2.80454 GPRESSURE: 2376200 -177.286 -54.5512 3.22884 6.41233 -82.581 31.4173 -60.6647 57.1391 19.6947 PRESSAVG: 2376200 44.9494 -47.995 59.9839 -47.9949 -80.6059 41.0063 59.9839 41.0063 -4.42342 GPRESSAVG: 2376200 45.166 -47.6266 58.4019 -48.4535 -80.0871 40.4114 58.1676 41.5812 -4.46678 TIMING: 2376200 CPU: 7507.86, 0.0031288/step Wall: 7507.86, 0.0031288/step, 2.28037 hours remaining, 235.652344 MB of memory in use. ENERGY: 2376200 4002.4354 20590.0355 14355.9440 226.0877 -203547.1045 2838.1788 0.0000 0.0000 51892.0654 -109642.3577 298.2244 -161534.4231 -109271.6442 298.5973 -109.6372 -80.0575 763753.4961 -13.3600 -13.1293 LDB: ============= START OF LOAD BALANCING ============== 7520.39 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7520.39 LDB: =============== DONE WITH MIGRATION ================ 7520.4 LDB: ============= START OF LOAD BALANCING ============== 7520.71 LDB: Largest compute 7057 load 0.031009 is 15.9% of average load 0.195509 LDB: Average compute 0.004375 is 2.2% of average load 0.195509 LDB: TIME 7520.72 LOAD: AVG 0.195509 MAX 0.215228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.324 MB LDB: TIME 7520.72 LOAD: AVG 0.195509 MAX 0.215228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.508 MB LDB: TIME 7520.72 LOAD: AVG 0.195509 MAX 0.215228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.508 MB LDB: ============== END OF LOAD BALANCING =============== 7520.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7520.72 PRESSURE: 2376400 88.4401 -58.1343 -42.3857 -58.1336 203.9 15.497 -42.3854 15.4951 271.495 GPRESSURE: 2376400 221.658 -121.521 58.3558 -89.3059 173.2 61.2162 -63.9265 0.885006 265.812 PRESSAVG: 2376400 -45.4845 -75.1897 30.6891 -75.1897 45.1652 31.0152 30.6891 31.0151 13.7887 GPRESSAVG: 2376400 -45.3215 -73.2484 30.7594 -74.5521 44.5306 31.889 31.2108 28.3912 14.2967 TIMING: 2376400 CPU: 7508.51, 0.00321969/step Wall: 7508.51, 0.00321969/step, 2.34644 hours remaining, 235.128906 MB of memory in use. ENERGY: 2376400 3921.7772 20418.1266 14451.0018 259.1880 -203726.9131 3001.1839 0.0000 0.0000 52139.3869 -109536.2488 299.6458 -161675.6357 -109173.2449 298.8535 187.9451 220.2234 762648.5738 4.4898 4.5019 PRESSURE: 2376600 -18.238 -45.729 -12.2741 -45.729 -173.948 -168.85 -12.2737 -168.849 -27.9417 GPRESSURE: 2376600 -69.6336 -103.782 -14.2316 148.226 -89.4719 -200.327 28.3211 -97.5477 27.0488 PRESSAVG: 2376600 -19.4294 -51.8902 15.9179 -51.8902 -30.228 -16.8792 15.9179 -16.8792 4.83866 GPRESSAVG: 2376600 -19.5951 -54.9677 17.1773 -51.7611 -29.7804 -17.2492 16.3846 -16.3324 4.35286 TIMING: 2376600 CPU: 7509.13, 0.00312534/step Wall: 7509.13, 0.00312534/step, 2.2775 hours remaining, 235.128906 MB of memory in use. ENERGY: 2376600 4019.5649 20530.9964 14371.3724 258.6670 -203242.2074 2505.0746 0.0000 0.0000 51872.7581 -109683.7741 298.1135 -161556.5322 -109325.9969 298.4311 -73.3758 -44.0189 762508.5832 -14.9396 -15.0075 PRESSURE: 2376800 -94.4877 -92.7083 -53.0333 -92.7076 16.3493 154.263 -53.0323 154.262 286.435 GPRESSURE: 2376800 -109.435 -56.1048 -62.4679 61.2059 88.199 107.086 6.52468 -8.14768 328.212 PRESSAVG: 2376800 29.082 -21.3978 -26.0254 -21.3978 36.0946 -48.8523 -26.0255 -48.8524 -10.4674 GPRESSAVG: 2376800 28.4159 -21.0445 -25.4711 -21.3068 36.6857 -50.0718 -24.8835 -49.0067 -10.6585 TIMING: 2376800 CPU: 7509.76, 0.00312407/step Wall: 7509.76, 0.00312407/step, 2.27641 hours remaining, 235.347656 MB of memory in use. ENERGY: 2376800 3941.3459 20662.2549 14390.2484 224.6965 -203252.8137 2546.7925 0.0000 0.0000 51894.0161 -109593.4594 298.2356 -161487.4754 -109229.8372 298.5317 69.4321 102.3250 761788.8216 18.2364 18.1477 PRESSURE: 2377000 -101.07 -14.4098 -126.185 -14.4094 125.608 46.379 -126.185 46.3785 -379.69 GPRESSURE: 2377000 -52.8493 -51.6189 -136.916 -159.52 129.224 112.884 -37.5747 -133.509 -340.978 PRESSAVG: 2377000 21.3105 -20.54 21.7311 -20.5399 0.860087 3.6995 21.731 3.69952 -1.2803 GPRESSAVG: 2377000 22.3058 -18.9635 20.7837 -22.5754 -0.17267 5.10036 22.1527 3.61471 -1.13803 TIMING: 2377000 CPU: 7510.38, 0.00312447/step Wall: 7510.38, 0.00312447/step, 2.27653 hours remaining, 235.347656 MB of memory in use. ENERGY: 2377000 4028.5142 20527.1115 14403.9593 257.8061 -203289.3179 2453.4984 0.0000 0.0000 51938.1268 -109680.3016 298.4891 -161618.4284 -109321.5612 298.3997 -118.3840 -88.2011 763150.8620 6.9634 6.9984 PRESSURE: 2377200 -164.402 -139.484 203.199 -139.483 -210.912 -164.142 203.199 -164.142 99.9581 GPRESSURE: 2377200 -135.851 -217.166 182.238 -174.723 -104.653 -159.849 -104.07 -133.631 52.6303 PRESSAVG: 2377200 -100.238 -16.0825 19.7723 -16.0826 35.7015 -17.3214 19.7724 -17.3215 -23.9068 GPRESSAVG: 2377200 -101.204 -17.6221 20.8962 -14.4084 35.3746 -17.2309 18.4227 -17.5232 -22.9373 TIMING: 2377200 CPU: 7511.01, 0.00313303/step Wall: 7511.01, 0.00313303/step, 2.28259 hours remaining, 235.347656 MB of memory in use. ENERGY: 2377200 3929.1044 20622.4064 14377.6226 254.1553 -203879.7526 3216.5154 0.0000 0.0000 51798.3039 -109681.6446 297.6856 -161479.9485 -109328.3092 298.2284 -91.7852 -62.6247 763462.2520 -29.4810 -29.5888 PRESSURE: 2377400 9.5568 -99.8396 76.2095 -99.8399 212.846 59.8096 76.2086 59.8099 121.678 GPRESSURE: 2377400 128.917 -92.6651 154 -64.4372 193.264 77.4948 56.6579 56.5015 114.398 PRESSAVG: 2377400 16.6878 -33.5857 37.5683 -33.5857 20.08 -14.1625 37.5683 -14.1623 29.2293 GPRESSAVG: 2377400 17.2574 -33.4036 35.6188 -33.064 20.3632 -15.2247 38.1361 -13.5647 28.3507 TIMING: 2377400 CPU: 7511.63, 0.00312786/step Wall: 7511.63, 0.00312786/step, 2.27864 hours remaining, 235.347656 MB of memory in use. ENERGY: 2377400 3935.4210 20555.0717 14341.5064 263.5026 -203625.6235 2835.3726 0.0000 0.0000 52088.8151 -109605.9341 299.3551 -161694.7492 -109234.0314 298.6747 114.6936 145.5263 761445.8946 21.9991 21.9904 PRESSURE: 2377600 -220.231 122.916 282.857 122.915 3.66813 155.958 282.857 155.958 -190.274 GPRESSURE: 2377600 -162.487 120.648 197.225 17.6464 -2.10221 94.6817 317.213 27.5626 -157.507 PRESSAVG: 2377600 37.41 -40.9705 4.85239 -40.9706 -20.5498 -15.7184 4.85234 -15.7185 13.284 GPRESSAVG: 2377600 38.2251 -39.7776 5.55512 -42.4084 -21.0407 -16.3616 6.64072 -15.2881 13.0952 TIMING: 2377600 CPU: 7512.26, 0.00313694/step Wall: 7512.26, 0.00313694/step, 2.28508 hours remaining, 235.347656 MB of memory in use. ENERGY: 2377600 4026.6961 20577.2647 14406.1652 245.0954 -203192.2112 2641.0223 0.0000 0.0000 51710.4233 -109585.5443 297.1805 -161295.9676 -109211.7789 298.0136 -135.6122 -107.3654 763129.0677 10.0481 10.0932 PRESSURE: 2377800 140.777 -171.285 -233.774 -171.284 -224.327 -96.1564 -233.773 -96.1546 115.328 GPRESSURE: 2377800 117.834 -53.2694 -229.574 -92.3519 -184.467 -104.557 -138.911 -88.3332 172.667 PRESSAVG: 2377800 24.4795 -13.7822 8.44834 -13.7822 -17.2867 6.74852 8.44836 6.74858 12.2887 GPRESSAVG: 2377800 23.0125 -14.6489 9.26837 -10.7229 -16.8335 8.44772 6.91417 4.90992 13.2305 TIMING: 2377800 CPU: 7512.89, 0.00314073/step Wall: 7512.89, 0.00314073/step, 2.28768 hours remaining, 235.347656 MB of memory in use. ENERGY: 2377800 3999.8879 20568.9173 14514.0840 241.8122 -203054.3455 2579.9686 0.0000 0.0000 51928.0205 -109221.6551 298.4310 -161149.6755 -108854.9738 298.8238 10.5928 35.3447 762449.8284 6.4939 6.4698 PRESSURE: 2378000 14.8111 7.72835 96.4358 7.72761 -197.464 247.654 96.4358 247.655 -181.609 GPRESSURE: 2378000 10.1394 -40.6689 44.9565 51.6083 -95.4025 287.682 101.308 54.5161 -183.77 PRESSAVG: 2378000 -13.3027 46.2014 -1.4233 46.2014 -16.9487 -32.6228 -1.42332 -32.6228 -1.93136 GPRESSAVG: 2378000 -13.8467 47.6449 -2.31571 44.7024 -16.5527 -33.4327 -0.267564 -32.4942 -2.12609 TIMING: 2378000 CPU: 7513.51, 0.00312519/step Wall: 7513.51, 0.00312519/step, 2.27618 hours remaining, 235.347656 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: 2378000 3995.7945 20617.3370 14495.0279 232.9639 -203370.0338 2815.4799 0.0000 0.0000 51940.8338 -109272.5967 298.5047 -161213.4306 -108916.0445 299.1412 -121.4206 -89.6777 763013.7981 -10.7276 -10.8418 PRESSURE: 2378200 -250.25 125.522 172.707 125.522 222.966 -340.221 172.707 -340.221 -124.598 GPRESSURE: 2378200 -183.62 211.004 87.733 36.2713 207.458 -251.4 29.1284 -414.187 -100.904 PRESSAVG: 2378200 -16.2775 50.2208 49.4583 50.2207 0.15443 -43.9528 49.4583 -43.9528 3.92045 GPRESSAVG: 2378200 -15.246 49.5868 49.9345 51.634 -0.290186 -44.3546 46.8506 -42.4766 3.35749 TIMING: 2378200 CPU: 7514.14, 0.00312205/step Wall: 7514.14, 0.00312205/step, 2.27372 hours remaining, 235.347656 MB of memory in use. ENERGY: 2378200 4034.2176 20418.3579 14471.8343 235.9559 -203371.7907 2826.3723 0.0000 0.0000 51859.8213 -109525.2315 298.0391 -161385.0527 -109165.4610 298.8050 -50.6269 -25.6887 761132.8828 -4.0675 -4.0595 PRESSURE: 2378400 107.97 284.18 -37.5669 284.18 -233.672 49.3822 -37.5668 49.3837 -90.1604 GPRESSURE: 2378400 89.1939 174.926 -33.8525 294.629 -164.784 13.8215 -96.551 18.6061 -77.4309 PRESSAVG: 2378400 -23.8441 -22.2198 -40.7846 -22.2198 14.6604 34.283 -40.7846 34.2829 -0.218961 GPRESSAVG: 2378400 -24.0941 -22.2174 -42.9644 -24.0095 15.0439 36.108 -39.5686 34.3631 -0.752792 TIMING: 2378400 CPU: 7514.77, 0.00314075/step Wall: 7514.77, 0.00314075/step, 2.28717 hours remaining, 235.347656 MB of memory in use. ENERGY: 2378400 3941.7993 20512.9645 14459.0806 265.1573 -203381.6772 2685.4699 0.0000 0.0000 51870.1050 -109647.1006 298.0982 -161517.2056 -109290.4724 298.5893 -71.9544 -51.0069 762075.7058 -3.1342 -3.2677 PRESSURE: 2378600 12.3632 90.8331 40.9731 90.8337 -46.6955 2.2055 40.9719 2.20539 -173.993 GPRESSURE: 2378600 50.5809 122.799 9.44848 87.707 -54.68 23.7795 -6.84904 42.1461 -127.156 PRESSAVG: 2378600 19.3036 47.821 36.2204 47.8211 40.2677 25.7143 36.2204 25.7143 15.0684 GPRESSAVG: 2378600 20.3722 48.012 37.1326 47.2467 39.0932 23.1623 34.2962 24.9176 15.6486 TIMING: 2378600 CPU: 7515.4, 0.00314621/step Wall: 7515.4, 0.00314621/step, 2.29096 hours remaining, 235.347656 MB of memory in use. ENERGY: 2378600 4045.2587 20486.9244 14462.7289 245.5823 -203801.6297 2754.1250 0.0000 0.0000 52112.8924 -109694.1181 299.4935 -161807.0105 -109338.4886 298.6040 -69.4416 -43.7516 761381.9424 24.8799 25.0380 PRESSURE: 2378800 -59.4825 105.185 -9.54463 105.184 2.45423 301.084 -9.54489 301.084 -48.133 GPRESSURE: 2378800 21.3137 -13.7658 3.4016 127.108 73.535 272.403 -2.10334 262.956 -124.221 PRESSAVG: 2378800 -42.4877 -0.795627 -3.20939 -0.795598 19.5733 -0.461815 -3.20936 -0.461719 12.4296 GPRESSAVG: 2378800 -42.3868 -1.15753 -2.45109 0.650175 20.888 0.590936 -1.44961 0.739269 11.5535 TIMING: 2378800 CPU: 7516.03, 0.00315152/step Wall: 7516.03, 0.00315152/step, 2.29466 hours remaining, 235.347656 MB of memory in use. ENERGY: 2378800 3932.3717 20407.3341 14427.8481 249.1834 -203479.1078 2677.1413 0.0000 0.0000 51903.3435 -109881.8858 298.2892 -161785.2292 -109516.7177 298.1222 -35.0538 -9.7909 762629.3836 -3.4949 -3.3151 PRESSURE: 2379000 183.209 -87.1162 -97.4744 -87.1162 39.2093 -129.814 -97.4742 -129.815 2.61603 GPRESSURE: 2379000 159.84 -70.6348 -49.7105 -84.3468 166.787 -30.5791 -139.576 -145.041 -22.9774 PRESSAVG: 2379000 -3.60591 -3.26574 -28.0805 -3.26573 66.8224 48.0468 -28.0806 48.0468 -21.177 GPRESSAVG: 2379000 -3.19235 -2.82839 -27.9543 -3.8583 67.1536 49.6233 -28.9771 48.68 -21.7811 TIMING: 2379000 CPU: 7516.65, 0.00313846/step Wall: 7516.65, 0.00313846/step, 2.28498 hours remaining, 235.347656 MB of memory in use. ENERGY: 2379000 3968.8887 20426.8757 14406.8405 261.4688 -203432.7375 2883.0224 0.0000 0.0000 51923.4850 -109562.1564 298.4050 -161485.6414 -109204.0478 297.8742 75.0113 101.2167 762999.3778 14.0132 14.0601 PRESSURE: 2379200 -71.1412 -69.8487 -13.4755 -69.8482 285.615 127.582 -13.4751 127.582 45.5751 GPRESSURE: 2379200 78.7905 -98.1144 26.5427 -66.8009 204.174 59.942 -11.5702 49.1576 72.1333 PRESSAVG: 2379200 -3.15557 -1.72613 -6.07661 -1.72608 46.6808 -21.7507 -6.07659 -21.7507 -4.67795 GPRESSAVG: 2379200 -4.54138 -2.45293 -5.74801 0.225938 46.004 -22.554 -6.6111 -23.2292 -2.39202 TIMING: 2379200 CPU: 7517.28, 0.00311865/step Wall: 7517.28, 0.00311865/step, 2.27037 hours remaining, 235.347656 MB of memory in use. ENERGY: 2379200 4008.4325 20514.7509 14505.0078 261.3416 -203442.4709 2806.9729 0.0000 0.0000 51969.7447 -109376.2204 298.6708 -161345.9651 -109014.3311 298.1981 86.6830 118.3659 763039.1815 12.9491 13.0235 PRESSURE: 2379400 -264.448 133.721 -27.4508 133.721 -262.662 -0.0444582 -27.4512 -0.0433503 -348.124 GPRESSURE: 2379400 -170.4 180.934 -24.7246 222.463 -275.235 -1.57229 51.8987 51.8013 -329.326 PRESSAVG: 2379400 -45.4024 -32.6643 -3.08948 -32.6643 57.2226 -5.43678 -3.08954 -5.43677 47.5463 GPRESSAVG: 2379400 -42.8796 -32.5099 -3.29905 -34.2208 57.7621 -6.14517 -3.84224 -4.1657 45.0455 TIMING: 2379400 CPU: 7517.9, 0.00313013/step Wall: 7517.9, 0.00313013/step, 2.27856 hours remaining, 235.347656 MB of memory in use. ENERGY: 2379400 4059.7517 20539.6673 14452.6236 238.9568 -203644.1729 2900.2128 0.0000 0.0000 52067.7382 -109385.2226 299.2340 -161452.9608 -109028.6839 299.1035 -291.7449 -258.3201 763998.3649 19.7888 19.9760 PRESSURE: 2379600 -8.05777 31.182 62.2132 31.1817 111.308 -231.843 62.2139 -231.844 94.4016 GPRESSURE: 2379600 52.0134 69.274 77.7535 -14.7278 117.427 -259.421 38.5985 -166.978 109.133 PRESSAVG: 2379600 -35.8085 -1.94885 -10.9563 -1.94887 34.9144 -15.6057 -10.9563 -15.6057 -22.0461 GPRESSAVG: 2379600 -37.153 -1.20707 -11.388 -1.69089 35.2969 -13.8166 -7.54432 -15.1448 -20.8565 TIMING: 2379600 CPU: 7518.53, 0.00313772/step Wall: 7518.53, 0.00313772/step, 2.28391 hours remaining, 235.347656 MB of memory in use. ENERGY: 2379600 3905.6118 20404.3477 14511.6224 282.1185 -203289.7850 2698.5053 0.0000 0.0000 52102.5094 -109385.0699 299.4338 -161487.5793 -109005.9833 298.7482 65.8840 92.8579 761694.1755 -7.6467 -7.5709 PRESSURE: 2379800 -239.375 -353.713 157.415 -353.712 -32.6549 28.6225 157.414 28.6225 197.018 GPRESSURE: 2379800 -276.344 -229.446 142.858 -308.904 62.7447 75.8184 145.216 29.0741 220.756 PRESSAVG: 2379800 5.46132 -42.5456 -4.71021 -42.5456 49.3012 -25.3943 -4.71029 -25.3943 -9.85132 GPRESSAVG: 2379800 4.70721 -41.5412 -7.26286 -42.7139 49.5339 -28.2748 -7.59934 -24.8157 -9.01045 TIMING: 2379800 CPU: 7519.16, 0.00312478/step Wall: 7519.16, 0.00312478/step, 2.27432 hours remaining, 235.347656 MB of memory in use. ENERGY: 2379800 3914.6726 20735.3641 14449.5235 240.6262 -203664.3413 2934.9241 0.0000 0.0000 51975.1886 -109414.0421 298.7021 -161389.2307 -109052.6913 298.8939 -25.0041 2.3858 761598.8035 14.9704 15.0769 PRESSURE: 2380000 -212.546 -72.9318 -20.292 -72.9312 17.922 36.0577 -20.2919 36.057 -239.101 GPRESSURE: 2380000 -198.045 -77.4698 -0.907734 -88.7117 68.225 158.504 -67.7558 28.8587 -197.007 PRESSAVG: 2380000 2.67172 1.08287 9.73211 1.0829 28.9105 -17.5515 9.7321 -17.5515 13.1562 GPRESSAVG: 2380000 3.0398 1.33464 10.6763 -0.72822 29.4173 -13.8943 11.1468 -20.6668 12.6141 TIMING: 2380000 CPU: 7519.78, 0.00313558/step Wall: 7519.78, 0.00313558/step, 2.28201 hours remaining, 235.347656 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: 2380000 3962.2000 20483.0148 14519.9141 244.0653 -203667.8169 2968.7506 0.0000 0.0000 52257.2155 -109232.6567 300.3229 -161489.8722 -108863.9932 299.8813 -144.5751 -108.9424 762398.6022 14.9128 15.0237 PRESSURE: 2380200 -133.666 139.065 -88.9677 139.065 -6.67688 123.367 -88.9669 123.367 -26.5586 GPRESSURE: 2380200 -147.11 110.671 -142.162 131.088 60.6807 139.178 -116.742 258.069 11.5414 PRESSAVG: 2380200 -25.9118 -42.8274 47.8249 -42.8275 105.957 -17.3869 47.8249 -17.3868 17.5622 GPRESSAVG: 2380200 -25.0558 -43.8849 47.9014 -40.7607 104.701 -20.3035 45.1978 -15.8199 17.8132 TIMING: 2380200 CPU: 7520.41, 0.00313769/step Wall: 7520.41, 0.00313769/step, 2.28337 hours remaining, 235.347656 MB of memory in use. ENERGY: 2380200 4044.1797 20648.3357 14449.6105 257.4999 -202824.5255 2482.4135 0.0000 0.0000 51913.1971 -109029.2892 298.3459 -160942.4863 -108672.7515 299.7018 -55.6338 -24.9627 762797.6337 32.5357 32.4862 LDB: ============= START OF LOAD BALANCING ============== 7532.94 LDB: ============== END OF LOAD BALANCING =============== 7532.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7532.94 LDB: ============= START OF LOAD BALANCING ============== 7533.26 LDB: Largest compute 7077 load 0.030242 is 15.5% of average load 0.195433 LDB: Average compute 0.004397 is 2.2% of average load 0.195433 LDB: TIME 7533.26 LOAD: AVG 0.195433 MAX 0.220585 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.398 MB LDB: TIME 7533.26 LOAD: AVG 0.195433 MAX 0.220585 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 7533.26 LOAD: AVG 0.195433 MAX 0.21715 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 7533.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7533.27 PRESSURE: 2380400 -178.23 28.9006 204.843 28.9003 -95.2107 122.374 204.843 122.375 -128.402 GPRESSURE: 2380400 -119.787 50.3327 206.176 93.0253 -42.9191 188.02 166.107 10.2388 -160.857 PRESSAVG: 2380400 -22.7456 -20.3085 12.9405 -20.3086 20.8075 4.03594 12.9403 4.03597 0.827404 GPRESSAVG: 2380400 -24.1117 -19.9025 13.5736 -19.8904 21.9271 5.5492 15.9139 3.02843 1.24816 TIMING: 2380400 CPU: 7521.05, 0.00320476/step Wall: 7521.05, 0.00320476/step, 2.33199 hours remaining, 238.738281 MB of memory in use. ENERGY: 2380400 4051.5522 20549.2721 14431.7009 226.4707 -202470.1284 2384.8291 0.0000 0.0000 51890.7264 -108935.5769 298.2167 -160826.3033 -108572.4617 299.5612 -133.9476 -107.8542 763856.0927 -0.3702 -0.3122 PRESSURE: 2380600 -21.0817 -83.2502 -275.686 -83.2497 312.036 70.126 -275.687 70.1255 -51.4071 GPRESSURE: 2380600 77.2003 -109.366 -237.436 -173.366 276.812 -52.7649 -163.701 118.545 -39.7203 PRESSAVG: 2380600 -40.0405 -43.8568 -42.1777 -43.8568 20.3784 -22.0522 -42.1777 -22.0523 -17.6567 GPRESSAVG: 2380600 -37.9034 -43.735 -42.6896 -43.1296 17.36 -21.0405 -43.0109 -20.2371 -17.0547 TIMING: 2380600 CPU: 7521.68, 0.00314121/step Wall: 7521.68, 0.00314121/step, 2.28558 hours remaining, 238.738281 MB of memory in use. ENERGY: 2380600 3998.9196 20703.9655 14451.7464 243.0771 -203094.9645 2542.0355 0.0000 0.0000 51961.8882 -109193.3322 298.6257 -161155.2204 -108831.3088 299.3105 79.8490 104.7641 761991.7356 -12.4396 -12.5327 PRESSURE: 2380800 238.276 35.9852 -14.3358 35.9857 6.73961 194.237 -14.3352 194.237 -48.8589 GPRESSURE: 2380800 285.779 112.083 -160.541 -7.15777 -13.4076 209.135 29.0548 182.973 -1.82192 PRESSAVG: 2380800 -30.5819 -25.2095 -69.1639 -25.2096 0.754624 0.792772 -69.1639 0.792728 -15.4761 GPRESSAVG: 2380800 -32.0509 -24.7187 -68.1177 -27.9782 3.65239 0.18088 -69.2934 0.249863 -16.6091 TIMING: 2380800 CPU: 7522.31, 0.00314711/step Wall: 7522.31, 0.00314711/step, 2.2897 hours remaining, 238.738281 MB of memory in use. ENERGY: 2380800 4006.1806 20618.8064 14396.0422 253.9586 -203798.7523 2923.7379 0.0000 0.0000 52289.7719 -109310.2546 300.5100 -161600.0265 -108952.9759 299.2561 65.3855 90.1832 764361.6574 -15.1011 -15.0025 PRESSURE: 2381000 -37.784 -24.733 227.027 -24.7327 21.5529 1.43594 227.027 1.43592 36.2182 GPRESSURE: 2381000 143.056 9.36978 188.892 110.101 20.33 -44.2304 222.123 -61.0893 -46.2739 PRESSAVG: 2381000 -23.8851 -0.744989 -7.09089 -0.744956 35.6646 -32.196 -7.09086 -32.1959 10.5815 GPRESSAVG: 2381000 -22.835 -1.56286 -8.77432 2.20879 33.9294 -33.4898 -7.37718 -28.8248 10.6516 TIMING: 2381000 CPU: 7522.94, 0.00313997/step Wall: 7522.94, 0.00313997/step, 2.28433 hours remaining, 238.738281 MB of memory in use. ENERGY: 2381000 4056.5253 20525.1859 14499.4979 241.8300 -203630.3645 2997.4225 0.0000 0.0000 51802.3745 -109507.5284 297.7090 -161309.9029 -109147.6830 299.1818 6.6624 39.0375 762489.2503 7.4536 7.2487 PRESSURE: 2381200 225.318 -45.9534 6.9857 -45.9537 64.6873 447.019 6.98614 447.018 -91.2456 GPRESSURE: 2381200 223.224 -138.775 -23.9786 -69.3139 94.452 434.914 -29.3564 285.208 -24.9919 PRESSAVG: 2381200 17.2269 -14.8835 -4.04176 -14.8835 -12.947 66.2314 -4.0418 66.2314 5.84014 GPRESSAVG: 2381200 16.675 -13.4917 -1.68206 -15.6901 -13.4387 65.2985 -3.95988 64.5237 6.209 TIMING: 2381200 CPU: 7523.56, 0.00313356/step Wall: 7523.56, 0.00313356/step, 2.27949 hours remaining, 238.738281 MB of memory in use. ENERGY: 2381200 3983.9443 20512.6356 14405.8727 263.2864 -203465.0442 2671.4469 0.0000 0.0000 52109.3234 -109518.5350 299.4730 -161627.8584 -109152.6319 299.0564 66.2531 97.5615 762444.7675 3.3733 3.1485 PRESSURE: 2381400 -52.5023 -69.6446 -142.127 -69.6447 -58.1403 -186.985 -142.128 -186.985 -245.678 GPRESSURE: 2381400 -211.228 -52.0498 -58.7796 -137.128 53.9528 -124.468 -165.479 -68.2258 -121.754 PRESSAVG: 2381400 -30.6586 -0.322276 18.9906 -0.322347 -27.7617 -2.8031 18.9906 -2.80302 10.4135 GPRESSAVG: 2381400 -32.383 -2.94991 17.4706 0.0581429 -26.4596 -0.414333 19.1247 -4.25882 11.0924 TIMING: 2381400 CPU: 7524.19, 0.00313335/step Wall: 7524.19, 0.00313335/step, 2.27916 hours remaining, 238.738281 MB of memory in use. ENERGY: 2381400 3941.1318 20622.2765 14406.0244 252.1429 -203813.8722 2892.3225 0.0000 0.0000 52249.7057 -109450.2684 300.2798 -161699.9741 -109088.1063 298.9204 -118.7735 -93.0098 762774.9397 -16.0023 -15.9167 PRESSURE: 2381600 90.2223 -152.22 -295.362 -152.22 -122.884 78.2006 -295.362 78.2003 -429.537 GPRESSURE: 2381600 152.829 -158.844 -244.077 -102.46 -119.066 93.9772 -254.791 -20.3972 -432.36 PRESSAVG: 2381600 3.62259 1.97335 -15.8526 1.97329 22.9271 -12.7736 -15.8526 -12.7738 21.1295 GPRESSAVG: 2381600 5.10691 3.72166 -16.4283 2.23212 22.0357 -14.1856 -16.1313 -13.3493 20.641 TIMING: 2381600 CPU: 7524.82, 0.00315144/step Wall: 7524.82, 0.00315144/step, 2.29215 hours remaining, 238.738281 MB of memory in use. ENERGY: 2381600 3976.7653 20518.5801 14457.3852 243.3037 -203321.0485 2628.8170 0.0000 0.0000 51947.6971 -109548.5001 298.5441 -161496.1972 -109187.7937 299.4087 -154.0664 -132.8654 762649.7701 15.8931 15.9279 PRESSURE: 2381800 -186.793 -104.791 179.476 -104.79 151.269 -108.361 179.476 -108.361 -208.46 GPRESSURE: 2381800 -113.577 -157.064 218.229 -115.103 86.173 -212.376 124.019 -135.555 -139.566 PRESSAVG: 2381800 -15.3311 -69.3692 47.7727 -69.3692 30.7219 -34.4125 47.7727 -34.4126 -13.6874 GPRESSAVG: 2381800 -15.8939 -70.7385 47.3415 -67.8747 31.3023 -35.013 47.0737 -32.5842 -13.2339 TIMING: 2381800 CPU: 7525.45, 0.00314144/step Wall: 7525.45, 0.00314144/step, 2.2847 hours remaining, 238.738281 MB of memory in use. ENERGY: 2381800 4046.8401 20473.5722 14426.5927 255.2457 -203682.7558 2703.3809 0.0000 0.0000 52109.2671 -109667.8571 299.4727 -161777.1242 -109298.4881 298.6961 -81.3282 -55.6566 761966.7580 0.5678 0.7248 PRESSURE: 2382000 148.915 110.834 13.4761 110.834 119.544 -75.5085 13.4763 -75.5101 99.1768 GPRESSURE: 2382000 129.464 143.978 -14.3805 -71.3137 208.367 -128.451 2.48795 -103.689 108.833 PRESSAVG: 2382000 7.44371 33.2509 -41.3104 33.2509 -21.4449 -18.1858 -41.3104 -18.1858 -8.46348 GPRESSAVG: 2382000 8.04399 35.6645 -39.1482 28.2118 -22.5979 -16.7618 -44.1652 -19.4685 -8.61457 TIMING: 2382000 CPU: 7526.08, 0.00314337/step Wall: 7526.08, 0.00314337/step, 2.28593 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: 2382000 4073.8989 20537.8399 14410.0891 255.2590 -203181.4894 2477.4066 0.0000 0.0000 51873.5260 -109553.4699 298.1179 -161426.9959 -109200.5949 298.8592 122.5451 148.8882 762209.7994 -7.4882 -7.7228 PRESSURE: 2382200 -166.169 172.551 201.757 172.55 -171.858 264.753 201.758 264.752 -167.02 GPRESSURE: 2382200 -150.779 104.076 96.3145 176.25 -158.98 151.85 305.814 351.291 -119.757 PRESSAVG: 2382200 -14.7737 -49.3165 25.3717 -49.3165 17.0397 30.9364 25.3716 30.9363 22.0134 GPRESSAVG: 2382200 -15.4905 -48.192 24.3789 -47.1658 18.6186 28.5664 28.7135 32.3353 20.7167 TIMING: 2382200 CPU: 7526.7, 0.00312306/step Wall: 7526.7, 0.00312306/step, 2.27099 hours remaining, 238.738281 MB of memory in use. ENERGY: 2382200 3945.6476 20380.1331 14421.0274 267.7024 -203362.5358 2734.5056 0.0000 0.0000 51833.4605 -109780.0593 297.8876 -161613.5198 -109418.5266 298.5248 -168.3488 -143.1722 762724.4040 8.0931 7.9483 PRESSURE: 2382400 -77.4575 155.341 -301.99 155.341 -39.9846 25.4193 -301.99 25.4188 -102.136 GPRESSURE: 2382400 25.2804 124.066 -178.782 44.372 -123.722 49.2109 -180.263 -5.81751 -42.6436 PRESSAVG: 2382400 -31.1136 -0.223767 -34.8197 -0.223816 12.594 9.81267 -34.8196 9.81263 -6.98908 GPRESSAVG: 2382400 -31.211 -2.86864 -35.5942 -0.138216 11.5845 12.5294 -33.5004 9.032 -6.23811 TIMING: 2382400 CPU: 7527.33, 0.00313824/step Wall: 7527.33, 0.00313824/step, 2.28185 hours remaining, 238.738281 MB of memory in use. ENERGY: 2382400 4026.6851 20555.7158 14408.9714 258.2946 -203468.2083 2794.9062 0.0000 0.0000 51938.5720 -109485.0633 298.4917 -161423.6353 -109126.3156 298.5998 -73.1926 -47.0286 763659.1964 -8.5029 -8.6215 PRESSURE: 2382600 -61.4135 53.2741 -120.081 53.2739 19.499 -175.822 -120.081 -175.823 -237.223 GPRESSURE: 2382600 49.7604 50.8877 -109.605 105.159 24.7818 -134.777 -177.032 -123.903 -234.888 PRESSAVG: 2382600 -6.55329 39.9304 -10.6786 39.9304 -25.8687 30.8107 -10.6786 30.8106 -12.5387 GPRESSAVG: 2382600 -5.60341 40.8051 -9.68023 40.336 -25.7599 31.2962 -10.0338 30.4366 -13.4571 TIMING: 2382600 CPU: 7527.96, 0.00313651/step Wall: 7527.96, 0.00313651/step, 2.28041 hours remaining, 238.738281 MB of memory in use. ENERGY: 2382600 4085.8832 20384.7120 14493.2587 245.2140 -203502.7891 2874.5706 0.0000 0.0000 51817.6456 -109601.5050 297.7967 -161419.1506 -109249.6826 299.0353 -93.0459 -53.4486 763112.5276 -14.9869 -14.9401 PRESSURE: 2382800 -74.1454 -60.4123 -110.017 -60.4122 -5.1443 -127.749 -110.017 -127.748 -135.38 GPRESSURE: 2382800 -76.8572 -158.349 -141.466 13.782 -19.7064 -127.465 -98.3421 -142.465 -58.3583 PRESSAVG: 2382800 41.1185 -9.51263 -17.852 -9.51258 -4.53881 31.9991 -17.852 31.9991 -3.387 GPRESSAVG: 2382800 40.3877 -11.9106 -19.1854 -7.44518 -4.09272 31.9538 -20.0574 31.731 -2.82814 TIMING: 2382800 CPU: 7528.58, 0.00312223/step Wall: 7528.58, 0.00312223/step, 2.26986 hours remaining, 238.738281 MB of memory in use. ENERGY: 2382800 4073.8029 20467.7143 14411.6322 268.7692 -203354.5843 2759.6187 0.0000 0.0000 51906.5828 -109466.4642 298.3078 -161373.0470 -109104.7996 299.6370 -71.5566 -51.6407 762413.5882 11.0642 11.1556 PRESSURE: 2383000 95.2804 -192.762 -171.974 -192.761 148.045 205.858 -171.973 205.859 230.589 GPRESSURE: 2383000 87.8407 -118.464 -211.716 -207.267 229.2 160.889 -95.1425 43.6799 237.844 PRESSAVG: 2383000 -14.863 20.0066 -25.7684 20.0066 16.3615 10.7003 -25.7684 10.7003 9.86433 GPRESSAVG: 2383000 -14.0359 20.9375 -24.3122 18.3069 15.8589 8.51038 -24.1322 12.5101 8.98908 TIMING: 2383000 CPU: 7529.21, 0.00313255/step Wall: 7529.21, 0.00313255/step, 2.27719 hours remaining, 238.738281 MB of memory in use. ENERGY: 2383000 3971.9290 20647.6504 14449.3923 276.9049 -203527.9018 2682.9821 0.0000 0.0000 51915.2187 -109583.8244 298.3575 -161499.0430 -109214.4005 298.4349 157.9714 184.9614 761014.8790 3.7876 3.6040 PRESSURE: 2383200 -33.2797 20.5146 -25.6284 20.5149 -106.604 -281.662 -25.6268 -281.662 -196.034 GPRESSURE: 2383200 49.9193 64.1872 -24.3585 13.1774 -172.211 -255.022 -27.6609 -302.402 -149.478 PRESSAVG: 2383200 -0.509502 5.63756 -40.7735 5.6376 -12.0537 -44.141 -40.7735 -44.1411 -8.72865 GPRESSAVG: 2383200 -1.47914 4.18376 -41.188 7.51606 -10.4803 -43.8209 -42.0624 -45.6316 -9.06702 TIMING: 2383200 CPU: 7529.84, 0.00314696/step Wall: 7529.84, 0.00314696/step, 2.28749 hours remaining, 238.738281 MB of memory in use. ENERGY: 2383200 4007.5379 20607.6298 14454.8439 256.5059 -202855.7448 2341.8107 0.0000 0.0000 51957.5779 -109229.8387 298.6009 -161187.4166 -108872.4832 299.2322 -111.9727 -90.5899 762035.8516 -7.0973 -7.0088 PRESSURE: 2383400 -218.668 114.277 230.456 114.277 -500.51 100.142 230.456 100.142 28.4332 GPRESSURE: 2383400 -218.257 159.842 140.207 41.6069 -427.494 123.927 260.627 -7.28614 46.2797 PRESSAVG: 2383400 2.04421 37.4648 -75.2156 37.4648 -12.508 -27.2531 -75.2156 -27.2532 3.96794 GPRESSAVG: 2383400 3.23338 39.1257 -76.2699 36.2537 -14.1622 -27.3571 -74.9949 -26.692 4.71059 TIMING: 2383400 CPU: 7530.5, 0.00331181/step Wall: 7530.5, 0.00331181/step, 2.40713 hours remaining, 238.738281 MB of memory in use. ENERGY: 2383400 3999.0875 20507.3408 14416.5082 264.4523 -202478.5904 2177.9782 0.0000 0.0000 52116.7181 -108996.5053 299.5155 -161113.2234 -108630.3991 299.6279 -230.2481 -199.8236 763247.5154 -2.1653 -2.0728 PRESSURE: 2383600 -75.6148 14.5082 -77.217 14.5079 108.602 -47.5657 -77.2163 -47.5659 -99.327 GPRESSURE: 2383600 -46.2062 155.999 -58.0995 -75.7459 154.052 4.47751 -172.356 -4.26097 -85.0712 PRESSAVG: 2383600 65.8936 -4.99144 -53.085 -4.99142 -42.2226 -6.32194 -53.085 -6.32195 8.79195 GPRESSAVG: 2383600 65.1901 -1.83706 -51.9092 -5.46853 -41.6872 -4.96416 -53.3925 -5.90568 8.88501 TIMING: 2383600 CPU: 7531.14, 0.00319582/step Wall: 7531.14, 0.00319582/step, 2.32265 hours remaining, 238.738281 MB of memory in use. ENERGY: 2383600 4092.9327 20555.7990 14427.7339 253.4691 -203034.4811 2386.0093 0.0000 0.0000 52416.1091 -108902.4279 301.2361 -161318.5370 -108523.2720 300.2855 -22.1133 7.5916 760844.7658 10.8210 10.7960 PRESSURE: 2383800 92.7062 -97.281 -69.02 -97.2806 230.103 170.194 -69.021 170.195 449.612 GPRESSURE: 2383800 166.613 93.5379 98.8105 26.5326 283.225 172.543 -32.1774 100.115 394.399 PRESSAVG: 2383800 53.5501 -2.51556 -21.5956 -2.51552 -78.5615 17.146 -21.5956 17.1461 5.39991 GPRESSAVG: 2383800 53.6718 -5.50268 -21.7877 -1.65021 -77.963 17.0809 -20.0126 17.4896 4.60029 TIMING: 2383800 CPU: 7531.77, 0.0031682/step Wall: 7531.77, 0.0031682/step, 2.3024 hours remaining, 238.738281 MB of memory in use. ENERGY: 2383800 4025.9214 20539.8186 14420.5978 250.2742 -203264.0898 2705.5887 0.0000 0.0000 52257.1973 -109064.6918 300.3228 -161321.8891 -108695.8765 300.7392 257.4736 281.4125 762464.8391 -6.5372 -6.5636 PRESSURE: 2384000 -10.0608 97.2336 204.774 97.2333 -60.3852 89.4012 204.773 89.4005 -252.462 GPRESSURE: 2384000 -51.9585 41.1793 165.874 184.241 30.3649 -31.8364 164.821 158.864 -209.786 PRESSAVG: 2384000 74.3477 43.1715 37.9071 43.1714 -48.2067 11.7019 37.9072 11.7019 -19.5625 GPRESSAVG: 2384000 75.0328 44.7486 39.54 42.6887 -50.0209 11.6964 37.0302 9.82892 -18.9588 TIMING: 2384000 CPU: 7532.4, 0.00313435/step Wall: 7532.4, 0.00313435/step, 2.27763 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: 2384000 3986.9081 20707.0229 14455.2864 259.9063 -203215.8590 2659.4853 0.0000 0.0000 52025.0464 -109122.2036 298.9887 -161147.2499 -108755.3036 299.6007 -107.6361 -77.1264 763843.0784 2.1928 2.0177 PRESSURE: 2384200 -202.188 -101.728 159.085 -101.726 186.832 -54.3286 159.086 -54.329 -449.984 GPRESSURE: 2384200 -160.795 -210.826 22.2298 -146.3 254.906 -35.7885 137.378 62.6918 -459.544 PRESSAVG: 2384200 11.1482 1.66649 -10.8 1.66642 -10.2139 -22.4475 -10.8 -22.4474 -0.266109 GPRESSAVG: 2384200 10.376 0.623117 -11.9292 1.72546 -9.38576 -23.6022 -11.0001 -20.6142 -0.592324 TIMING: 2384200 CPU: 7533.03, 0.00313517/step Wall: 7533.03, 0.00313517/step, 2.27805 hours remaining, 238.738281 MB of memory in use. ENERGY: 2384200 4001.2267 20520.0275 14416.5075 229.1848 -202675.2093 2309.2843 0.0000 0.0000 52072.9503 -109126.0281 299.2640 -161198.9784 -108760.9378 299.2995 -155.1132 -121.8113 761843.7338 0.2227 0.1326 LDB: ============= START OF LOAD BALANCING ============== 7545.56 LDB: ============== END OF LOAD BALANCING =============== 7545.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7545.56 LDB: ============= START OF LOAD BALANCING ============== 7545.88 LDB: Largest compute 7026 load 0.032281 is 16.5% of average load 0.195487 LDB: Average compute 0.004406 is 2.3% of average load 0.195487 LDB: TIME 7545.88 LOAD: AVG 0.195487 MAX 0.217123 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.945 MB LDB: TIME 7545.88 LOAD: AVG 0.195487 MAX 0.217123 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 7545.88 LOAD: AVG 0.195487 MAX 0.217123 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 7545.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7545.89 PRESSURE: 2384400 -98.0961 -7.18255 170.926 -7.1823 221.525 -115.314 170.926 -115.314 167.673 GPRESSURE: 2384400 -68.9917 -63.6797 107.06 -113.291 271.804 -50.4525 131.907 -147.36 162.15 PRESSAVG: 2384400 -9.92329 -68.3638 1.22468 -68.3637 9.05843 32.4538 1.22465 32.4538 -0.715428 GPRESSAVG: 2384400 -8.773 -68.3082 0.303422 -69.9718 8.88653 32.628 1.45986 32.3197 -1.71274 TIMING: 2384400 CPU: 7533.67, 0.0032288/step Wall: 7533.67, 0.0032288/step, 2.3459 hours remaining, 235.652344 MB of memory in use. ENERGY: 2384400 4016.8008 20451.3487 14435.2200 245.5520 -203063.8285 2621.0775 0.0000 0.0000 52249.1585 -109044.6709 300.2766 -161293.8295 -108680.3408 299.4339 97.0337 121.6539 761843.6155 -0.5268 -0.5331 PRESSURE: 2384600 -162.041 142.674 50.6917 142.674 -288.152 29.7227 50.6925 29.7235 -9.53696 GPRESSURE: 2384600 -181.064 -19.2031 124.864 44.1152 -213.388 -2.93255 32.7593 39.1239 27.8631 PRESSAVG: 2384600 -0.490413 -52.967 46.5356 -52.967 -28.725 -12.3479 46.5355 -12.3479 -12.0002 GPRESSAVG: 2384600 -2.32445 -53.6591 46.9655 -51.0734 -27.4119 -11.5852 46.6009 -11.109 -11.367 TIMING: 2384600 CPU: 7534.3, 0.00314643/step Wall: 7534.3, 0.00314643/step, 2.28588 hours remaining, 235.652344 MB of memory in use. ENERGY: 2384600 3934.5060 20764.4042 14505.8821 232.3788 -202750.4945 2262.9759 0.0000 0.0000 51872.8560 -109177.4915 298.1140 -161050.3475 -108817.8381 300.0102 -153.2432 -122.1962 763028.6592 -13.7386 -13.7011 PRESSURE: 2384800 294.371 45.071 -223.16 45.0707 -0.848813 36.1288 -223.159 36.1286 -119.354 GPRESSURE: 2384800 353.622 30.6266 -195.489 22.7194 99.3977 76.8776 -172.565 147.323 -195.974 PRESSAVG: 2384800 28.7805 22.3211 -25.1899 22.3211 -28.8849 -16.9761 -25.1899 -16.9762 9.79962 GPRESSAVG: 2384800 29.6659 21.7206 -24.6209 22.4065 -30.4251 -17.1086 -24.191 -18.4174 9.86448 TIMING: 2384800 CPU: 7534.93, 0.0031633/step Wall: 7534.93, 0.0031633/step, 2.29796 hours remaining, 235.652344 MB of memory in use. ENERGY: 2384800 4022.5555 20602.5133 14459.1833 260.9223 -203560.1695 2898.4828 0.0000 0.0000 51966.9181 -109349.5941 298.6546 -161316.5122 -108987.5373 299.0655 58.0560 85.6818 763531.9674 3.2317 3.0351 PRESSURE: 2385000 477.616 -200.73 -10.2923 -200.73 357.987 12.3218 -10.2914 12.3238 -68.4656 GPRESSURE: 2385000 406.312 -66.2608 -163.056 -225.972 515.74 21.3565 -36.5933 -78.1091 -63.7256 PRESSAVG: 2385000 -0.117081 10.968 -13.9317 10.968 -18.6034 0.777445 -13.9317 0.777461 -12.4572 GPRESSAVG: 2385000 -0.668254 12.0036 -14.9681 10.7625 -16.9986 -0.559741 -12.3764 -0.183732 -13.1602 TIMING: 2385000 CPU: 7535.56, 0.00312765/step Wall: 7535.56, 0.00312765/step, 2.27189 hours remaining, 235.652344 MB of memory in use. ENERGY: 2385000 4065.5631 20450.4424 14481.5481 234.1771 -203596.0376 2878.0538 0.0000 0.0000 52081.2473 -109405.0058 299.3116 -161486.2531 -109037.4226 298.6215 255.7124 286.1088 760088.1178 -10.3925 -10.2757 PRESSURE: 2385200 -301.373 159.654 -14.4322 159.654 -261.198 -113.032 -14.4321 -113.032 176.544 GPRESSURE: 2385200 -224.318 147.903 26.1573 86.2929 -321.158 -26.4476 -66.3356 -156.1 269.434 PRESSAVG: 2385200 13.2862 3.97976 0.00969512 3.9797 -12.1225 -24.3876 0.00963146 -24.3875 -9.21208 GPRESSAVG: 2385200 12.758 1.64964 0.684674 4.59147 -12.8938 -23.2925 -3.72284 -23.5922 -8.48954 TIMING: 2385200 CPU: 7536.19, 0.00313734/step Wall: 7536.19, 0.00313734/step, 2.27876 hours remaining, 235.652344 MB of memory in use. ENERGY: 2385200 4099.3196 20588.9129 14426.3686 265.0975 -203171.1019 2469.3415 0.0000 0.0000 52098.1158 -109223.9460 299.4086 -161322.0618 -108869.5647 298.7662 -128.6755 -92.0138 760526.9357 -2.6828 -2.8751 PRESSURE: 2385400 213.868 -103.795 132.729 -103.797 -171.298 -48.2416 132.728 -48.2417 -146.136 GPRESSURE: 2385400 263.621 -89.5167 100.836 -141.157 -130.341 -71.7171 58.6963 -25.0507 -140.51 PRESSAVG: 2385400 13.5532 -10.9338 10.0533 -10.9339 21.0942 -28.234 10.0534 -28.2341 25.6409 GPRESSAVG: 2385400 14.6853 -10.0852 9.38247 -11.2551 20.1549 -28.7448 12.2163 -27.1232 24.614 TIMING: 2385400 CPU: 7536.82, 0.00314041/step Wall: 7536.82, 0.00314041/step, 2.28081 hours remaining, 235.652344 MB of memory in use. ENERGY: 2385400 4066.4108 20413.9703 14425.8292 243.3607 -203422.2747 2799.7426 0.0000 0.0000 52251.6129 -109221.3482 300.2907 -161472.9611 -108862.4135 299.9405 -34.5216 -2.4101 762199.2496 20.0961 19.8181 PRESSURE: 2385600 158.183 -67.5805 -268.433 -67.5805 150.872 31.616 -268.433 31.6161 218.917 GPRESSURE: 2385600 227.416 30.6938 -231.783 -102.491 160.429 15.1572 -255.474 117.808 244.865 PRESSAVG: 2385600 -15.3483 -74.4754 0.212888 -74.4754 5.28313 15.4837 0.212974 15.4837 14.0431 GPRESSAVG: 2385600 -15.9768 -74.874 0.85966 -74.7229 4.42223 17.3344 -1.93174 12.874 15.5775 TIMING: 2385600 CPU: 7537.45, 0.00316233/step Wall: 7537.45, 0.00316233/step, 2.29655 hours remaining, 235.652344 MB of memory in use. ENERGY: 2385600 3956.2396 20735.6923 14519.4861 239.4568 -203361.1285 2858.7669 0.0000 0.0000 51808.3667 -109243.1202 297.7434 -161051.4869 -108885.7068 299.4842 175.9907 210.9033 763316.6866 1.3260 1.3410 PRESSURE: 2385800 1.0041 13.5657 158.31 13.5657 -0.0526035 -35.7743 158.312 -35.7749 -182.712 GPRESSURE: 2385800 -11.4297 48.0361 70.8632 58.4049 84.5895 -27.795 209.742 18.5778 -172.908 PRESSAVG: 2385800 -30.4915 -11.4655 38.684 -11.4655 20.291 -1.42693 38.684 -1.42694 -8.20455 GPRESSAVG: 2385800 -30.745 -10.8327 38.9269 -10.2667 21.3784 -2.79323 40.217 0.705387 -8.56288 TIMING: 2385800 CPU: 7538.08, 0.00316941/step Wall: 7538.08, 0.00316941/step, 2.30152 hours remaining, 235.652344 MB of memory in use. ENERGY: 2385800 3930.5062 20567.8926 14458.5188 251.7850 -203350.7806 2690.8762 0.0000 0.0000 52287.8148 -109163.3869 300.4988 -161451.2017 -108803.6957 299.8175 -60.5869 -33.2494 763068.1503 -6.1350 -5.9765 PRESSURE: 2386000 -128.264 -187.303 -22.0022 -187.303 -97.8104 246.79 -22.0024 246.789 -390.19 GPRESSURE: 2386000 -87.0125 -229.219 -55.3055 -50.9075 -163.258 249.662 -62.5805 110.123 -290.085 PRESSAVG: 2386000 -0.437325 -48.8271 13.5227 -48.8271 29.4854 19.8297 13.5227 19.8298 -12.6149 GPRESSAVG: 2386000 0.285317 -50.9076 12.7472 -50.2751 28.6549 19.5057 12.6777 19.4778 -12.5749 TIMING: 2386000 CPU: 7538.71, 0.00312839/step Wall: 7538.71, 0.00312839/step, 2.27156 hours remaining, 235.652344 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: 2386000 3941.4116 20741.7853 14522.4922 250.0332 -203148.0045 2510.6691 0.0000 0.0000 52016.8771 -109164.7360 298.9417 -161181.6132 -108806.2708 299.6137 -205.4214 -180.1186 762642.3367 5.4777 5.4551 PRESSURE: 2386200 106.513 -103.366 -68.8944 -103.365 -243.281 8.32241 -68.8938 8.32298 -37.7452 GPRESSURE: 2386200 77.1854 21.9602 -5.24925 -79.1966 -248.751 95.0587 -124.463 -53.0024 81.677 PRESSAVG: 2386200 -39.4123 -73.096 25.7946 -73.0961 11.1662 -18.9092 25.7946 -18.9092 -0.804421 GPRESSAVG: 2386200 -40.7509 -72.0918 27.1978 -71.3788 11.8923 -17.7724 26.0602 -20.2612 -0.0386849 TIMING: 2386200 CPU: 7539.38, 0.0033412/step Wall: 7539.38, 0.0033412/step, 2.4259 hours remaining, 235.652344 MB of memory in use. ENERGY: 2386200 4007.6883 20691.5223 14463.1798 239.6315 -203107.6678 2621.9059 0.0000 0.0000 52001.4639 -109082.2760 298.8531 -161083.7399 -108733.3576 299.5092 -58.1711 -29.9629 763447.1560 -9.6835 -9.6324 PRESSURE: 2386400 -34.1272 -91.3907 33.5367 -91.3906 320.274 -61.0444 33.5365 -61.0441 28.0571 GPRESSURE: 2386400 -27.4459 -139.497 50.301 -98.5354 298.713 -73.997 66.6128 6.63991 125.582 PRESSAVG: 2386400 0.554821 -4.84679 22.604 -4.84682 -14.5895 -6.03101 22.604 -6.031 4.45838 GPRESSAVG: 2386400 1.46524 -3.1176 21.7632 -6.15229 -14.5323 -6.92119 23.4291 -6.67245 3.23825 TIMING: 2386400 CPU: 7540.04, 0.00334061/step Wall: 7540.04, 0.00334061/step, 2.42528 hours remaining, 235.652344 MB of memory in use. ENERGY: 2386400 3992.0626 20623.8097 14482.9472 240.1744 -203340.9907 2792.3915 0.0000 0.0000 52000.3647 -109209.2406 298.8468 -161209.6053 -108852.0066 299.8164 104.7346 132.2830 763415.1533 -3.1921 -3.2763 PRESSURE: 2386600 3.52393 150.702 -63.3303 150.702 294.693 -341.662 -63.3296 -341.662 455.004 GPRESSURE: 2386600 102.173 77.1391 -89.0859 268.856 290.251 -369.646 -14.896 -341.099 442.4 PRESSAVG: 2386600 -12.8123 63.4161 -7.03484 63.416 65.9348 -11.4173 -7.03487 -11.4173 -6.73456 GPRESSAVG: 2386600 -13.6875 63.0154 -6.73839 64.9678 66.124 -11.7051 -8.24375 -9.17162 -6.29418 TIMING: 2386600 CPU: 7540.69, 0.00321393/step Wall: 7540.69, 0.00321393/step, 2.33313 hours remaining, 235.652344 MB of memory in use. ENERGY: 2386600 3941.5110 20449.3157 14520.8981 252.5386 -203440.4880 2794.4413 0.0000 0.0000 52322.5171 -109159.2661 300.6982 -161481.7832 -108796.5715 299.7230 251.0736 278.2747 761291.1113 15.4627 15.3808 PRESSURE: 2386800 -122.854 98.7686 -127.244 98.7686 12.6747 -209.452 -127.244 -209.451 -220.827 GPRESSURE: 2386800 16.2848 7.66044 -59.6467 65.0699 16.5452 -136.37 -247.009 -202.699 -274.436 PRESSAVG: 2386800 -42.384 13.073 21.9251 13.073 27.3019 -2.73968 21.9251 -2.73971 -3.12019 GPRESSAVG: 2386800 -40.4828 11.8571 20.8587 12.3986 26.2369 -4.27865 22.16 -1.90984 -4.2217 TIMING: 2386800 CPU: 7541.32, 0.00314975/step Wall: 7541.32, 0.00314975/step, 2.28637 hours remaining, 235.652344 MB of memory in use. ENERGY: 2386800 3977.9013 20684.3226 14449.8016 233.5614 -203016.5173 2567.2196 0.0000 0.0000 51970.2839 -109133.4270 298.6739 -161103.7109 -108768.3084 299.5285 -110.3355 -80.5354 763051.8247 -6.0674 -6.1559 PRESSURE: 2387000 -71.8349 -51.0286 62.6678 -51.0292 -82.4354 -101.247 62.6674 -101.246 -196.819 GPRESSURE: 2387000 -45.0698 -126.309 73.0284 -4.65932 16.3827 -16.6101 0.0746755 -39.2849 -239.712 PRESSAVG: 2387000 -52.1481 -1.22944 6.97459 -1.22948 5.70683 6.90025 6.97457 6.90019 13.9485 GPRESSAVG: 2387000 -52.962 -0.526592 6.76517 -2.64274 7.32846 8.04703 6.42905 4.90235 13.5588 TIMING: 2387000 CPU: 7541.95, 0.00316011/step Wall: 7541.95, 0.00316011/step, 2.29371 hours remaining, 235.652344 MB of memory in use. ENERGY: 2387000 3987.0028 20367.9836 14484.5112 240.9803 -203369.7253 2743.6543 0.0000 0.0000 52239.7068 -109305.8863 300.2223 -161545.5931 -108948.6704 299.3653 -117.0298 -89.4664 762890.5005 -10.8309 -10.6916 PRESSURE: 2387200 230.272 -243.25 223.525 -243.25 142.576 123.953 223.525 123.952 397.487 GPRESSURE: 2387200 289.57 -310.535 236.366 -173.739 100.588 164.256 247.034 92.7344 480.941 PRESSAVG: 2387200 -5.27376 -28.1697 49.8969 -28.1698 -19.9997 5.94527 49.8969 5.94524 -8.02727 GPRESSAVG: 2387200 -4.9018 -26.7905 51.235 -28.3693 -21.9483 7.01977 51.3487 6.54385 -6.24204 TIMING: 2387200 CPU: 7542.58, 0.00317921/step Wall: 7542.58, 0.00317921/step, 2.3074 hours remaining, 235.652344 MB of memory in use. ENERGY: 2387200 3999.3584 20594.1218 14513.9565 238.1619 -203506.1939 2927.9146 0.0000 0.0000 51992.4594 -109240.2213 298.8014 -161232.6807 -108891.1737 299.1667 256.7784 290.3664 761307.2370 -11.1003 -11.0307 PRESSURE: 2387400 -35.4909 9.77107 256.915 9.7716 443.27 -236.01 256.915 -236.009 121.578 GPRESSURE: 2387400 41.7712 -169.632 323.887 45.3494 435.94 -263.586 91.321 -213.523 148.047 PRESSAVG: 2387400 45.708 -53.6981 4.6963 -53.6981 -18.8679 3.81067 4.69628 3.81074 -0.794334 GPRESSAVG: 2387400 44.8113 -56.6156 1.44817 -52.8777 -18.1229 3.34824 5.51124 3.46429 -1.22446 TIMING: 2387400 CPU: 7543.25, 0.00331463/step Wall: 7543.25, 0.00331463/step, 2.4055 hours remaining, 235.652344 MB of memory in use. ENERGY: 2387400 3948.8360 20476.4948 14423.3465 250.1461 -203786.9566 2747.1295 0.0000 0.0000 52391.5055 -109549.4981 301.0947 -161941.0036 -109184.9392 299.6225 176.4521 208.5861 759959.3561 8.6819 8.4880 PRESSURE: 2387600 -175.499 87.1657 -75.1337 87.1658 -428.088 -170.801 -75.1337 -170.802 141.355 GPRESSURE: 2387600 -139.591 115.76 -3.29536 106.271 -416.106 -133.214 1.86153 -113.858 166.794 PRESSAVG: 2387600 39.1155 -62.9201 41.8677 -62.9201 -36.3386 37.9886 41.8677 37.9887 17.5752 GPRESSAVG: 2387600 39.663 -61.5787 43.9192 -60.1883 -36.3163 38.8817 38.4094 37.507 17.583 TIMING: 2387600 CPU: 7543.88, 0.00315956/step Wall: 7543.88, 0.00315956/step, 2.29279 hours remaining, 235.652344 MB of memory in use. ENERGY: 2387600 3993.4187 20479.9251 14442.9493 239.1923 -203211.0129 2516.4773 0.0000 0.0000 52028.5689 -109510.4812 299.0089 -161539.0501 -109149.4552 299.0098 -154.0773 -129.6345 762133.0651 6.7840 6.9766 PRESSURE: 2387800 16.6569 6.66495 -43.0977 6.66513 388.588 78.6155 -43.098 78.6164 -42.0137 GPRESSURE: 2387800 61.1692 -2.33136 26.9579 -54.4085 339.919 -1.10043 -14.478 61.3051 44.1825 PRESSAVG: 2387800 15.4579 -46.4811 3.50009 -46.4812 -58.7876 -2.81871 3.50011 -2.81869 -18.8576 GPRESSAVG: 2387800 15.9056 -46.8356 4.70649 -46.7185 -58.0194 -4.66018 4.1919 -1.43971 -19.4248 TIMING: 2387800 CPU: 7544.5, 0.00312152/step Wall: 7544.5, 0.00312152/step, 2.26501 hours remaining, 235.652344 MB of memory in use. ENERGY: 2387800 3968.2094 20548.5993 14419.9174 236.7247 -203646.3171 2747.0349 0.0000 0.0000 52162.5192 -109563.3123 299.7787 -161725.8315 -109191.0041 298.6029 121.0769 148.4237 760082.8566 -20.7291 -20.5129 PRESSURE: 2388000 -36.2888 119.924 51.9804 119.924 -59.9331 -4.72042 51.9824 -4.72002 155.699 GPRESSURE: 2388000 5.44337 119.245 21.2007 84.8464 65.7882 -59.4883 45.7636 159.418 61.3877 PRESSAVG: 2388000 21.4471 -26.8971 21.325 -26.8972 32.0858 -52.0613 21.325 -52.0613 17.7904 GPRESSAVG: 2388000 20.7138 -27.1348 22.3342 -26.907 33.2407 -51.7935 21.4751 -53.2776 17.1664 TIMING: 2388000 CPU: 7545.13, 0.00313235/step Wall: 7545.13, 0.00313235/step, 2.2727 hours remaining, 235.652344 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: 2388000 3935.4567 20475.0928 14429.8966 233.0543 -203534.1800 2603.6109 0.0000 0.0000 52135.5336 -109721.5351 299.6236 -161857.0687 -109354.3172 298.5873 19.8258 44.2064 760767.3876 23.7744 23.7070 PRESSURE: 2388200 -131.102 -112.606 124.489 -112.606 -21.5875 -245.525 124.489 -245.525 -89.026 GPRESSURE: 2388200 -109.8 -116.148 -5.77335 -107.185 4.31617 -249.536 30.7847 -258.606 -60.3829 PRESSAVG: 2388200 -9.65194 -41.9049 1.59335 -41.905 13.0808 14.6738 1.59339 14.6739 19.5488 GPRESSAVG: 2388200 -10.3506 -38.8989 0.898309 -44.5865 12.2022 15.6648 2.22625 15.5964 21.4985 TIMING: 2388200 CPU: 7545.76, 0.00313214/step Wall: 7545.76, 0.00313214/step, 2.27236 hours remaining, 235.652344 MB of memory in use. ENERGY: 2388200 3958.4520 20592.0874 14428.9752 261.3353 -203311.0921 2472.2502 0.0000 0.0000 51737.2660 -109860.7260 297.3348 -161597.9920 -109507.5186 298.4686 -80.5719 -55.2888 762093.3763 7.6592 7.7834 LDB: ============= START OF LOAD BALANCING ============== 7558.29 LDB: ============== END OF LOAD BALANCING =============== 7558.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7558.29 LDB: ============= START OF LOAD BALANCING ============== 7558.61 LDB: Largest compute 7076 load 0.033015 is 16.9% of average load 0.195588 LDB: Average compute 0.004388 is 2.2% of average load 0.195588 LDB: TIME 7558.61 LOAD: AVG 0.195588 MAX 0.216588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.445 MB LDB: TIME 7558.61 LOAD: AVG 0.195588 MAX 0.216588 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: TIME 7558.61 LOAD: AVG 0.195588 MAX 0.216588 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: ============== END OF LOAD BALANCING =============== 7558.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7558.62 PRESSURE: 2388400 554.594 -72.5104 64.7962 -72.5103 146.662 253.489 64.7964 253.489 86.5603 GPRESSURE: 2388400 578.55 -30.3063 31.2078 -133.751 197.662 228.596 35.9537 234.137 99.116 PRESSAVG: 2388400 -30.4048 -54.6789 37.8736 -54.679 3.00028 -21.1804 37.8736 -21.1804 12.9612 GPRESSAVG: 2388400 -30.062 -56.864 36.5737 -52.854 3.35919 -22.0243 36.9094 -21.4471 12.1372 TIMING: 2388400 CPU: 7546.4, 0.00321548/step Wall: 7546.4, 0.00321548/step, 2.33265 hours remaining, 238.597656 MB of memory in use. ENERGY: 2388400 3990.0314 20443.6968 14437.3550 243.7288 -203844.9113 3061.7713 0.0000 0.0000 51881.3173 -109787.0108 298.1626 -161668.3281 -109424.7807 298.2452 262.6057 291.7761 762336.0716 -4.8145 -4.8552 PRESSURE: 2388600 162.568 -226.827 -26.1575 -226.828 262.723 -47.0039 -26.1569 -47.0045 189.691 GPRESSURE: 2388600 215.084 -116.925 -48.3209 -108.808 304.812 -50.7237 24.143 9.8828 190.908 PRESSAVG: 2388600 -0.0651721 1.85726 24.6387 1.85723 -49.0294 2.51999 24.6388 2.51998 11.024 GPRESSAVG: 2388600 0.251776 4.54669 24.7535 0.862789 -49.1123 3.37366 27.2686 3.10313 10.7548 TIMING: 2388600 CPU: 7547.03, 0.00313348/step Wall: 7547.03, 0.00313348/step, 2.27299 hours remaining, 238.882812 MB of memory in use. ENERGY: 2388600 3954.0105 20380.5413 14457.8042 228.9215 -203726.4097 2900.2420 0.0000 0.0000 52080.5165 -109724.3736 299.3074 -161804.8901 -109368.7090 298.1664 204.9938 236.9348 762930.8408 -12.6902 -12.7019 PRESSURE: 2388800 -90.8393 54.0025 127.173 54.0027 -139.479 -117.72 127.172 -117.719 -355.187 GPRESSURE: 2388800 -33.9151 26.7049 146.991 65.089 -160.967 -67.0187 279.677 -198.448 -327.683 PRESSAVG: 2388800 29.7227 -45.4107 15.6959 -45.4108 41.2546 56.9374 15.6959 56.9374 13.1498 GPRESSAVG: 2388800 30.7085 -47.385 16.5826 -45.1236 40.3977 55.7311 14.3254 54.9561 12.3028 TIMING: 2388800 CPU: 7547.66, 0.00314632/step Wall: 7547.66, 0.00314632/step, 2.28213 hours remaining, 238.882812 MB of memory in use. ENERGY: 2388800 3956.2067 20526.0174 14470.0621 249.8590 -203733.2702 2817.4285 0.0000 0.0000 51947.5313 -109766.1651 298.5432 -161713.6965 -109398.4146 298.3937 -195.1687 -174.1881 762092.3162 28.0424 27.8030 PRESSURE: 2389000 -107.802 77.304 1.83262 77.3041 -136.988 -96.6039 1.83266 -96.6023 -300.744 GPRESSURE: 2389000 -38.6127 85.6603 -116.499 21.9419 -131.62 -128.977 50.9463 30.572 -305.9 PRESSAVG: 2389000 -4.68992 -15.2662 55.8938 -15.2662 30.912 3.90223 55.8938 3.90221 2.57407 GPRESSAVG: 2389000 -5.08996 -12.2229 53.8697 -15.2415 30.2124 2.78311 58.7158 6.0662 2.88493 TIMING: 2389000 CPU: 7548.28, 0.00314047/step Wall: 7548.28, 0.00314047/step, 2.27771 hours remaining, 238.882812 MB of memory in use. ENERGY: 2389000 4028.5069 20348.1606 14462.4368 269.0742 -203364.0243 2669.6122 0.0000 0.0000 51907.5592 -109678.6745 298.3135 -161586.2336 -109309.0022 298.3373 -181.8449 -158.7109 764130.0401 9.5987 9.3358 PRESSURE: 2389200 -285.208 -74.6706 84.6256 -74.6708 -323.061 24.7235 84.6254 24.7239 -374.696 GPRESSURE: 2389200 -192.699 -6.28345 47.5744 -124.227 -388.34 129.013 9.72863 -79.9305 -315.098 PRESSAVG: 2389200 -49.6439 -60.0876 10.8931 -60.0877 39.0855 3.23265 10.8931 3.2326 -16.6151 GPRESSAVG: 2389200 -48.8529 -62.7591 11.0083 -58.8388 38.1051 6.51624 8.88424 2.59219 -16.5946 TIMING: 2389200 CPU: 7548.91, 0.00313558/step Wall: 7548.91, 0.00313558/step, 2.27399 hours remaining, 238.882812 MB of memory in use. ENERGY: 2389200 4040.1970 20500.3212 14483.8274 250.0230 -203442.2140 2701.8252 0.0000 0.0000 51622.5848 -109843.4354 296.6757 -161466.0202 -109496.5321 298.6583 -327.6548 -298.7123 762913.0604 -9.0579 -9.1141 PRESSURE: 2389400 109.025 -240.082 233.31 -240.082 -226.571 -14.8539 233.31 -14.8536 68.645 GPRESSURE: 2389400 153.652 -90.348 189.164 -147.195 -147.329 6.75633 73.517 109.134 15.2493 PRESSAVG: 2389400 41.6131 -34.3748 45.3045 -34.3748 -9.03067 -0.345645 45.3045 -0.345529 -5.42961 GPRESSAVG: 2389400 40.4206 -33.0075 45.8926 -34.7735 -7.84452 -0.860267 44.1029 -1.80222 -5.68352 TIMING: 2389400 CPU: 7549.54, 0.00315629/step Wall: 7549.54, 0.00315629/step, 2.28883 hours remaining, 238.882812 MB of memory in use. ENERGY: 2389400 4001.3035 20423.6507 14418.1197 257.3231 -203794.5139 3105.7936 0.0000 0.0000 52000.1178 -109588.2055 298.8454 -161588.3233 -109222.0968 298.4642 -16.3003 7.1906 763168.8454 9.0509 8.9642 PRESSURE: 2389600 -162.898 -114.074 -155.525 -114.073 138.732 116.396 -155.524 116.395 202.137 GPRESSURE: 2389600 -87.9465 -144.871 -148.873 25.0504 158.488 193.535 -63.8205 61.8932 199.223 PRESSAVG: 2389600 -82.8717 -8.26273 46.72 -8.26284 24.929 -34.2311 46.7199 -34.2311 -4.22329 GPRESSAVG: 2389600 -82.7451 -8.2455 45.2769 -7.28112 24.1906 -36.0486 48.2485 -31.8564 -3.57034 TIMING: 2389600 CPU: 7550.17, 0.00314083/step Wall: 7550.17, 0.00314083/step, 2.27745 hours remaining, 238.882812 MB of memory in use. ENERGY: 2389600 4023.7912 20377.6173 14486.2150 248.8131 -203627.8524 2898.7055 0.0000 0.0000 51991.5758 -109601.1344 298.7963 -161592.7102 -109237.0893 298.5327 59.3234 89.9212 763880.2557 -20.7220 -20.7083 PRESSURE: 2389800 4.7403 73.8984 -84.6396 73.8985 -38.4686 -77.6685 -84.6392 -77.6684 34.3738 GPRESSURE: 2389800 32.1327 107.11 -8.70011 11.986 -9.82656 -230.045 -21.064 -19.0657 69.5059 PRESSAVG: 2389800 -40.1507 -21.2056 -13.3014 -21.2056 61.6077 3.82252 -13.3014 3.82249 10.1308 GPRESSAVG: 2389800 -39.3139 -23.3501 -10.9324 -22.3803 62.3908 5.02306 -14.5737 1.82572 8.39934 TIMING: 2389800 CPU: 7550.8, 0.00314446/step Wall: 7550.8, 0.00314446/step, 2.27991 hours remaining, 238.882812 MB of memory in use. ENERGY: 2389800 3927.8645 20503.2778 14492.8414 269.7852 -203599.3352 2879.1673 0.0000 0.0000 51896.2614 -109630.1375 298.2485 -161526.3989 -109266.4221 298.9653 0.2152 30.6040 761493.7154 10.5293 10.4921 PRESSURE: 2390000 423.917 -204.287 126.584 -204.287 15.4775 204.445 126.584 204.445 -272.065 GPRESSURE: 2390000 386.983 -166.808 7.51959 -233.003 32.2607 205.19 340.825 275.726 -169.451 PRESSAVG: 2390000 55.9866 -34.8467 27.1517 -34.8467 -17.9969 -15.201 27.1517 -15.201 -16.2826 GPRESSAVG: 2390000 54.9559 -32.5574 26.0821 -35.0104 -18.0732 -13.5735 28.6108 -16.1624 -14.9441 TIMING: 2390000 CPU: 7551.43, 0.00314271/step Wall: 7551.43, 0.00314271/step, 2.27846 hours remaining, 238.882812 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: 2390000 3952.0661 20453.2880 14349.3806 247.8560 -203323.4876 2663.9601 0.0000 0.0000 51983.9535 -109672.9833 298.7525 -161656.9368 -109301.1242 298.5429 55.7765 83.2643 762276.8742 7.2357 7.3129 PRESSURE: 2390200 24.6648 174.782 204.391 174.783 57.9876 43.3097 204.391 43.3086 177.148 GPRESSURE: 2390200 64.9208 88.7535 138.377 202.812 95.9702 120.223 266.542 100.623 174.209 PRESSAVG: 2390200 -13.8402 -47.5873 15.7761 -47.5874 18.5142 30.3465 15.7761 30.3464 -6.5143 GPRESSAVG: 2390200 -13.3064 -47.6075 17.0204 -47.4066 18.8671 27.501 15.2983 31.4529 -7.55642 TIMING: 2390200 CPU: 7552.06, 0.0031378/step Wall: 7552.06, 0.0031378/step, 2.27473 hours remaining, 238.882812 MB of memory in use. ENERGY: 2390200 3985.6079 20467.4382 14449.6669 233.5774 -203947.8221 2951.1923 0.0000 0.0000 52133.0351 -109727.3043 299.6093 -161860.3394 -109366.6033 298.4641 86.6002 111.6999 759993.7518 -0.6134 -0.6652 PRESSURE: 2390400 366.782 -76.6533 -119.857 -76.6533 165.007 42.0344 -119.857 42.0344 -315.813 GPRESSURE: 2390400 284.626 -111.514 -110.057 -4.88944 273.374 24.7451 -146.788 146.425 -248.051 PRESSAVG: 2390400 26.6651 -7.9892 22.9754 -7.98914 -21.304 -4.48537 22.9753 -4.48537 9.65206 GPRESSAVG: 2390400 24.7794 -10.5078 23.7546 -9.13145 -21.0947 -3.23709 24.6925 -4.4292 10.9213 TIMING: 2390400 CPU: 7552.69, 0.00317092/step Wall: 7552.69, 0.00317092/step, 2.29856 hours remaining, 238.882812 MB of memory in use. ENERGY: 2390400 3993.8541 20414.1666 14459.2714 231.2795 -203610.9788 2684.3604 0.0000 0.0000 52075.2396 -109752.8072 299.2771 -161828.0468 -109388.0331 298.4126 71.9922 103.3165 762335.7955 5.0044 4.8687 PRESSURE: 2390600 -202.896 -10.4748 98.1547 -10.4746 171.645 3.54538 98.1543 3.54575 -255.074 GPRESSURE: 2390600 18.4479 12.9978 127.383 1.65586 101.657 44.3588 70.3601 1.49485 -320.654 PRESSAVG: 2390600 47.5995 7.97877 -8.93868 7.97875 -74.3528 21.3186 -8.9386 21.3185 -19.714 GPRESSAVG: 2390600 49.2104 8.07541 -9.83145 11.0778 -74.3147 20.5219 -12.2193 23.3408 -21.1112 TIMING: 2390600 CPU: 7553.32, 0.00315953/step Wall: 7553.32, 0.00315953/step, 2.29013 hours remaining, 238.882812 MB of memory in use. ENERGY: 2390600 4016.9664 20511.4379 14444.8978 249.1782 -203894.3432 2969.1646 0.0000 0.0000 51938.5934 -109764.1049 298.4918 -161702.6983 -109410.7625 298.3702 -95.4419 -66.8497 762225.8834 -15.4891 -15.4052 PRESSURE: 2390800 -252.856 -120.938 231.91 -120.938 -145.96 80.3625 231.91 80.3633 339.148 GPRESSURE: 2390800 -229.756 -137.696 188.991 -140.502 -35.155 8.39945 190.901 129.264 283.439 PRESSAVG: 2390800 53.2367 -67.18 7.15878 -67.1799 -57.3066 57.7926 7.15874 57.7927 1.67272 GPRESSAVG: 2390800 51.8966 -66.2693 6.35442 -69.3704 -57.7873 59.6884 9.04988 55.4432 2.26871 TIMING: 2390800 CPU: 7553.95, 0.00312886/step Wall: 7553.95, 0.00312886/step, 2.26773 hours remaining, 238.882812 MB of memory in use. ENERGY: 2390800 3989.1574 20410.8818 14399.1767 239.3378 -203607.0571 2735.0063 0.0000 0.0000 51913.3396 -109920.1575 298.3467 -161833.4971 -109546.3066 298.0395 -19.8893 6.1760 762862.1614 -0.7991 -1.2073 PRESSURE: 2391000 369.272 114.588 1.70269 114.589 -235.059 54.2855 1.70346 54.2856 -329.639 GPRESSURE: 2391000 389.209 206.388 11.7068 107.542 -218.175 64.9185 -46.8379 125.426 -279.571 PRESSAVG: 2391000 35.0354 -17.8255 18.8017 -17.8255 -30.4604 60.7958 18.8017 60.7959 2.70946 GPRESSAVG: 2391000 35.1395 -16.0927 19.2556 -18.4205 -30.1883 60.2706 18.8284 61.3971 2.12055 TIMING: 2391000 CPU: 7554.57, 0.00313552/step Wall: 7554.57, 0.00313552/step, 2.27238 hours remaining, 238.941406 MB of memory in use. ENERGY: 2391000 4053.1115 20628.0535 14501.9465 246.3404 -203758.9085 3052.3305 0.0000 0.0000 51466.0267 -109811.0995 295.7760 -161277.1262 -109463.4071 297.8990 -65.1421 -36.1793 760714.6308 2.4281 2.3572 PRESSURE: 2391200 -108.007 75.5344 6.75114 75.5334 87.4764 186.847 6.75092 186.848 110.394 GPRESSURE: 2391200 -69.3497 126.256 -106.248 119.402 58.5799 228.45 -60.4266 179.482 170.226 PRESSAVG: 2391200 60.4308 16.1021 -30.4214 16.1022 -39.1029 10.8355 -30.4213 10.8355 11.9369 GPRESSAVG: 2391200 62.7516 15.4681 -30.2359 16.5459 -40.0701 11.7021 -31.0429 9.94595 10.4378 TIMING: 2391200 CPU: 7555.2, 0.00314392/step Wall: 7555.2, 0.00314392/step, 2.2783 hours remaining, 238.941406 MB of memory in use. ENERGY: 2391200 3961.3874 20480.1924 14478.8807 259.0383 -203960.2730 2879.8846 0.0000 0.0000 51986.6596 -109914.2300 298.7680 -161900.8896 -109552.0816 298.6004 29.9542 53.1520 762278.9202 11.0883 11.0398 PRESSURE: 2391400 -109.867 -67.4479 32.2383 -67.4482 -151.092 3.52241 32.2387 3.52301 -99.9467 GPRESSURE: 2391400 -23.1047 -6.83943 44.1061 -110.754 -105.355 -6.39816 69.283 -68.5084 -129.909 PRESSAVG: 2391400 39.7515 -1.08667 -2.61505 -1.08662 -52.4009 20.8517 -2.61516 20.8519 13.1401 GPRESSAVG: 2391400 37.8231 -1.72514 -3.29291 -0.587641 -52.4379 19.422 -1.28858 22.1305 15.437 TIMING: 2391400 CPU: 7555.83, 0.00315249/step Wall: 7555.83, 0.00315249/step, 2.28433 hours remaining, 238.953125 MB of memory in use. ENERGY: 2391400 3954.6552 20427.4283 14468.5944 233.8131 -203497.1540 2718.7574 0.0000 0.0000 52170.5854 -109523.3202 299.8251 -161693.9056 -109158.0925 297.9782 -120.3021 -86.1230 761503.5991 0.1635 0.2741 PRESSURE: 2391600 -199.901 -60.1076 235.612 -60.108 -378.828 -77.596 235.613 -77.5953 -7.86668 GPRESSURE: 2391600 -162.014 -104.171 315.354 -120.073 -309.071 -152.699 165.905 -13.4427 -30.0133 PRESSAVG: 2391600 26.7365 -40.5684 18.9581 -40.5684 -53.4258 4.05667 18.9582 4.05677 2.91363 GPRESSAVG: 2391600 27.9994 -42.7606 17.7059 -41.918 -53.3298 3.03409 18.5242 5.63764 1.56762 TIMING: 2391600 CPU: 7556.47, 0.0031587/step Wall: 7556.47, 0.00315871/step, 2.28866 hours remaining, 238.953125 MB of memory in use. ENERGY: 2391600 3947.2966 20582.2004 14507.1646 236.0142 -203370.4038 2603.9885 0.0000 0.0000 51736.8711 -109756.8684 297.3325 -161493.7395 -109394.0598 298.8837 -195.5318 -167.0326 761801.3345 -7.9252 -7.9210 PRESSURE: 2391800 187.511 7.30367 39.9633 7.30366 75.3352 -99.0308 39.9628 -99.0295 442.576 GPRESSURE: 2391800 162.634 35.6939 59.7837 -32.3933 167.617 -77.0681 64.0686 -169.594 443.083 PRESSAVG: 2391800 -2.14001 -75.8993 -14.7101 -75.8993 -1.76796 11.2704 -14.7102 11.2705 -11.5999 GPRESSAVG: 2391800 -2.09362 -74.4107 -14.0894 -75.0141 -1.61455 12.7736 -14.5348 7.76233 -12.1222 TIMING: 2391800 CPU: 7557.1, 0.00315343/step Wall: 7557.1, 0.00315343/step, 2.28466 hours remaining, 238.953125 MB of memory in use. ENERGY: 2391800 3934.1850 20479.8130 14467.0130 229.4535 -203465.5800 2827.0849 0.0000 0.0000 51981.3033 -109546.7273 298.7373 -161528.0306 -109184.1246 298.0874 235.1410 257.7779 761751.3312 -5.1693 -5.2768 PRESSURE: 2392000 -252.327 -38.6454 145.221 -38.646 -115.948 88.5251 145.22 88.5254 -228.69 GPRESSURE: 2392000 -181.209 -1.37136 113.733 -142.882 -114.803 50.2431 100.554 220.288 -215.072 PRESSAVG: 2392000 25.2292 -53.9212 15.2519 -53.9212 6.39796 11.5485 15.252 11.5485 -12.7091 GPRESSAVG: 2392000 24.0893 -54.0819 15.6894 -52.77 6.58115 11.9659 12.716 13.2443 -11.7865 TIMING: 2392000 CPU: 7557.72, 0.00314414/step Wall: 7557.72, 0.00314414/step, 2.27775 hours remaining, 238.953125 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: 2392000 4043.9509 20561.9231 14463.1541 251.6413 -203261.8215 2566.8530 0.0000 0.0000 51946.6884 -109427.6106 298.5383 -161374.2990 -109063.1383 298.4799 -198.9884 -170.3613 760037.1649 6.3060 6.2947 PRESSURE: 2392200 -32.4868 -217.3 -10.8742 -217.299 -137.013 -211.779 -10.8741 -211.78 110.937 GPRESSURE: 2392200 -7.18887 -352.012 19.6878 -325.888 -134.671 -208.758 -123.879 -171.506 166.461 PRESSAVG: 2392200 29.5278 -88.6515 19.4054 -88.6515 13.5182 1.7863 19.4054 1.78623 -23.0153 GPRESSAVG: 2392200 28.9098 -89.2665 19.9432 -90.048 14.0457 1.69349 20.7931 2.20422 -22.8252 TIMING: 2392200 CPU: 7558.36, 0.00317161/step Wall: 7558.36, 0.00317161/step, 2.29748 hours remaining, 238.953125 MB of memory in use. ENERGY: 2392200 3980.5961 20540.3294 14416.3810 239.0961 -203483.5443 2937.5809 0.0000 0.0000 52022.0019 -109347.5588 298.9712 -161369.5607 -108983.7204 298.9969 -19.5210 8.2004 761692.7826 6.6769 6.7101 LDB: ============= START OF LOAD BALANCING ============== 7570.89 LDB: ============== END OF LOAD BALANCING =============== 7570.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7570.9 LDB: ============= START OF LOAD BALANCING ============== 7571.21 LDB: Largest compute 7026 load 0.032136 is 16.4% of average load 0.195496 LDB: Average compute 0.004409 is 2.3% of average load 0.195496 LDB: TIME 7571.22 LOAD: AVG 0.195496 MAX 0.216109 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.133 MB LDB: TIME 7571.22 LOAD: AVG 0.195496 MAX 0.216109 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: TIME 7571.22 LOAD: AVG 0.195496 MAX 0.216109 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: ============== END OF LOAD BALANCING =============== 7571.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7571.22 PRESSURE: 2392400 -121.089 -215.193 61.6448 -215.194 -13.708 -344.059 61.6442 -344.059 87.1626 GPRESSURE: 2392400 -56.8332 -241.385 38.9819 -187.348 75.6869 -318.448 74.1499 -286.1 24.3982 PRESSAVG: 2392400 23.2082 -76.2687 -45.4754 -76.2687 48.2685 6.38929 -45.4754 6.38931 -3.86645 GPRESSAVG: 2392400 23.9181 -75.037 -45.8934 -75.0338 48.1331 6.42798 -46.673 7.07663 -3.69844 TIMING: 2392400 CPU: 7559.01, 0.00323801/step Wall: 7559.01, 0.00323801/step, 2.3454 hours remaining, 237.765625 MB of memory in use. ENERGY: 2392400 3933.6524 20483.1231 14546.1885 232.0067 -203034.1506 2615.5501 0.0000 0.0000 52149.6669 -109073.9629 299.7049 -161223.6298 -108706.0346 299.5692 -15.8780 14.4173 763111.8111 22.5367 22.7842 PRESSURE: 2392600 195.223 -90.5885 -217.437 -90.589 -314.483 -156.209 -217.437 -156.209 208.142 GPRESSURE: 2392600 152.006 -29.2625 -332.157 47.9891 -133.453 -235.872 -155.899 -225.358 164.823 PRESSAVG: 2392600 46.029 -4.80731 -70.6743 -4.80726 -64.9418 -30.145 -70.6743 -30.1449 20.7152 GPRESSAVG: 2392600 45.9252 -5.86113 -69.9841 -6.62716 -65.3851 -30.1882 -70.5985 -32.9281 21.2951 TIMING: 2392600 CPU: 7559.64, 0.00315257/step Wall: 7559.64, 0.00315257/step, 2.28333 hours remaining, 237.968750 MB of memory in use. ENERGY: 2392600 3978.1446 20446.9365 14412.6557 254.7805 -203486.6582 2972.8788 0.0000 0.0000 52152.7243 -109268.5379 299.7224 -161421.2622 -108905.8671 299.2052 29.6272 61.1252 763040.3164 0.6008 0.6117 PRESSURE: 2392800 -138.46 141.39 -149.467 141.39 -62.4452 67.6867 -149.467 67.6862 -418.296 GPRESSURE: 2392800 -62.6363 55.8179 -165.406 7.22911 -103.244 9.0018 -94.319 194.568 -370.997 PRESSAVG: 2392800 7.51906 -17.3911 7.43459 -17.3911 -4.52935 23.5156 7.43456 23.5156 22.2825 GPRESSAVG: 2392800 8.08871 -17.3212 8.95892 -16.0942 -4.27186 23.1048 7.35658 25.2673 21.6739 TIMING: 2392800 CPU: 7560.27, 0.00317904/step Wall: 7560.27, 0.00317904/step, 2.30233 hours remaining, 237.968750 MB of memory in use. ENERGY: 2392800 4098.4616 20547.7327 14505.9842 244.8070 -203657.2928 2898.2050 0.0000 0.0000 52041.2459 -109320.8565 299.0818 -161362.1024 -108967.5162 299.1567 -206.4002 -178.9592 762354.0865 8.4241 8.4969 PRESSURE: 2393000 56.4898 -36.3915 -2.73994 -36.3916 -39.5825 -31.259 -2.73947 -31.259 -75.4729 GPRESSURE: 2393000 79.3846 8.01816 56.2699 67.5308 29.3321 -8.486 -49.9409 50.3779 -74.4712 PRESSAVG: 2393000 59.7516 -63.8259 -12.1899 -63.8259 -3.9312 -32.2845 -12.1899 -32.2844 -12.0431 GPRESSAVG: 2393000 60.105 -63.8879 -12.1074 -63.7368 -4.097 -30.7321 -11.4641 -32.5737 -11.8624 TIMING: 2393000 CPU: 7560.9, 0.00312772/step Wall: 7560.9, 0.00312772/step, 2.26499 hours remaining, 237.968750 MB of memory in use. ENERGY: 2393000 4036.8392 20750.2248 14536.1869 255.1379 -203575.5154 2763.9211 0.0000 0.0000 51839.7790 -109393.4266 297.9239 -161233.2056 -109033.8607 299.1765 -19.5219 11.4152 762759.4850 14.5924 14.7152 PRESSURE: 2393200 163.127 -64.5455 113.491 -64.5454 387.761 -103.201 113.492 -103.201 -455.809 GPRESSURE: 2393200 182.166 0.924178 66.3113 -108.555 416.184 -57.4278 56.0089 -49.4193 -430.083 PRESSAVG: 2393200 14.2363 -31.2503 3.63022 -31.2503 18.9881 2.68577 3.6302 2.68586 16.5639 GPRESSAVG: 2393200 12.6234 -29.3219 2.53584 -33.3327 19.9898 2.96063 3.15735 3.29642 17.5656 TIMING: 2393200 CPU: 7561.52, 0.0031181/step Wall: 7561.52, 0.0031181/step, 2.25785 hours remaining, 237.968750 MB of memory in use. ENERGY: 2393200 4056.5522 20679.0315 14464.1742 232.1115 -203879.5184 3039.5396 0.0000 0.0000 51932.8221 -109475.2873 298.4586 -161408.1094 -109109.9415 299.1911 31.6934 56.0889 764043.4618 16.5961 16.7263 PRESSURE: 2393400 267.622 70.8519 33.3409 70.8505 -163.594 58.3918 33.3412 58.3927 70.8698 GPRESSURE: 2393400 330.302 -0.946108 44.101 46.5886 -137.049 4.68371 26.9726 197.43 71.1869 PRESSAVG: 2393400 15.4658 -26.103 -81.9289 -26.103 -24.9229 35.2304 -81.9288 35.2304 -29.8739 GPRESSAVG: 2393400 16.4663 -27.6212 -80.7836 -24.9209 -26.0134 36.2813 -81.7113 35.2845 -29.8625 TIMING: 2393400 CPU: 7562.15, 0.00312639/step Wall: 7562.15, 0.00312639/step, 2.26368 hours remaining, 237.968750 MB of memory in use. ENERGY: 2393400 4030.7471 20592.9207 14416.1152 249.7985 -203862.8992 2819.5336 0.0000 0.0000 52255.0147 -109498.7694 300.3103 -161753.7841 -109132.5559 299.2015 58.2992 88.1468 762456.3137 -13.1103 -13.1365 PRESSURE: 2393600 -111.275 -48.1376 -268.304 -48.1378 239.66 139.051 -268.303 139.051 -233.528 GPRESSURE: 2393600 -126.253 -3.50533 -253.161 -87.2442 349.573 5.60794 -201.273 3.27445 -250.83 PRESSAVG: 2393600 -33.0588 7.15782 -29.3557 7.1579 58.4322 20.8891 -29.3557 20.889 -3.35372 GPRESSAVG: 2393600 -32.7858 7.28545 -29.7024 8.19512 58.6847 19.0005 -29.013 18.7428 -3.56143 TIMING: 2393600 CPU: 7562.77, 0.00313222/step Wall: 7562.77, 0.00313222/step, 2.26773 hours remaining, 237.968750 MB of memory in use. ENERGY: 2393600 4017.5212 20591.9508 14524.5446 243.4112 -203621.6037 2798.4523 0.0000 0.0000 51905.9656 -109539.7580 298.3043 -161445.7237 -109177.0350 298.9331 -35.0480 -9.1699 764099.7567 7.3399 7.4458 PRESSURE: 2393800 -61.6369 -100.965 -1.14146 -100.965 -371.315 -90.3748 -1.14111 -90.3751 -169.78 GPRESSURE: 2393800 -45.8202 -105.631 86.6491 -10.4905 -277.68 -64.011 -148.7 -181.174 -197.708 PRESSAVG: 2393800 -30.5041 8.97306 -64.874 8.9731 4.48859 -8.38008 -64.8739 -8.38011 -4.28948 GPRESSAVG: 2393800 -29.8279 9.91029 -65.2822 8.59552 3.76397 -8.00103 -65.6106 -5.82197 -4.13844 TIMING: 2393800 CPU: 7563.41, 0.00315785/step Wall: 7563.41, 0.00315785/step, 2.28611 hours remaining, 237.968750 MB of memory in use. ENERGY: 2393800 4010.0772 20409.2322 14483.9569 242.8992 -203431.5059 2756.4714 0.0000 0.0000 51899.7804 -109629.0885 298.2688 -161528.8689 -109266.8879 298.7017 -200.9108 -173.7361 764636.1125 -10.1017 -10.0674 PRESSURE: 2394000 -96.8186 146.645 -56.0723 146.644 266.573 -200.729 -56.0714 -200.728 -66.5537 GPRESSURE: 2394000 -48.0982 84.8435 -19.8697 116.058 290.017 -253.308 86.1394 -146.059 -61.8753 PRESSAVG: 2394000 35.3128 -11.8463 -28.8149 -11.8463 -40.9552 -49.6621 -28.8149 -49.6621 21.276 GPRESSAVG: 2394000 35.4521 -11.5855 -29.9471 -13.2656 -40.5263 -49.7044 -26.9328 -49.236 21.1336 TIMING: 2394000 CPU: 7564.03, 0.00313407/step Wall: 7564.03, 0.00313407/step, 2.26872 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: 2394000 3968.5922 20382.1228 14415.5710 225.4100 -203783.6066 2889.6493 0.0000 0.0000 52166.8329 -109735.4284 299.8035 -161902.2612 -109367.6489 298.6786 34.4002 60.0146 761655.1686 5.2112 5.3531 PRESSURE: 2394200 -22.7061 -139.386 -49.4393 -139.386 -186.426 93.8723 -49.4403 93.8717 51.3608 GPRESSURE: 2394200 -15.0097 -222.277 -80.9556 -20.8106 -107.741 139.398 10.832 158.262 52.8621 PRESSAVG: 2394200 -10.0871 21.1818 -14.0787 21.1818 -25.4829 20.3611 -14.0787 20.3611 -12.6117 GPRESSAVG: 2394200 -10.0386 18.7624 -15.0114 22.9737 -26.2403 21.1451 -14.6351 18.4348 -12.105 TIMING: 2394200 CPU: 7564.66, 0.00312475/step Wall: 7564.66, 0.00312475/step, 2.2618 hours remaining, 237.968750 MB of memory in use. ENERGY: 2394200 3998.0734 20600.9876 14406.3864 254.8746 -203400.4800 2538.7243 0.0000 0.0000 52058.7433 -109542.6903 299.1823 -161601.4336 -109176.4419 298.8409 -52.5905 -23.2962 762270.3311 -16.0606 -16.1280 PRESSURE: 2394400 57.8092 -103.535 -110.94 -103.536 -316.763 -92.3485 -110.941 -92.3478 376.438 GPRESSURE: 2394400 100.923 56.6193 -106.653 -195.678 -227.122 -162.025 -168.396 -111.438 310.937 PRESSAVG: 2394400 25.3834 -23.841 2.22876 -23.8411 -12.7339 36.3341 2.22883 36.3342 12.7744 GPRESSAVG: 2394400 24.2666 -21.2687 3.69247 -25.2442 -11.5533 36.8387 1.64866 34.9559 12.8307 TIMING: 2394400 CPU: 7565.29, 0.00314309/step Wall: 7565.29, 0.00314309/step, 2.2749 hours remaining, 237.968750 MB of memory in use. ENERGY: 2394400 4055.3728 20378.2149 14403.3231 228.8608 -203857.6099 3092.2193 0.0000 0.0000 52215.5145 -109484.1045 300.0833 -161699.6190 -109113.6472 298.9416 39.1614 61.5795 762257.2570 8.4747 8.5146 PRESSURE: 2394600 185.737 -31.4204 51.2852 -31.4207 22.5899 189.268 51.2856 189.267 -74.8556 GPRESSURE: 2394600 238.042 -10.4133 -13.5915 -12.4433 29.2729 288.204 103.662 240.122 -52.6895 PRESSAVG: 2394600 48.5295 -49.9774 6.35001 -49.9774 -33.8622 -25.8074 6.35004 -25.8073 0.227933 GPRESSAVG: 2394600 48.4136 -52.9582 6.44402 -49.156 -33.3319 -26.9894 5.79221 -24.8505 -0.356254 TIMING: 2394600 CPU: 7565.91, 0.00313274/step Wall: 7565.91, 0.00313274/step, 2.26723 hours remaining, 237.968750 MB of memory in use. ENERGY: 2394600 3966.9040 20391.1442 14397.6002 234.5626 -203437.7522 2712.6063 0.0000 0.0000 52054.2850 -109680.6499 299.1567 -161734.9349 -109314.5410 298.7518 44.4904 71.5419 762875.5205 4.9651 4.9085 PRESSURE: 2394800 -58.3963 -34.6294 -166.853 -34.6296 -236.522 -349.84 -166.853 -349.84 -368.063 GPRESSURE: 2394800 -17.3052 -44.7515 -131.538 118.912 -105.025 -388.849 14.9806 -395.392 -459.92 PRESSAVG: 2394800 -21.6752 -7.11296 5.79633 -7.11291 64.2117 -51.8884 5.79632 -51.8884 -14.1345 GPRESSAVG: 2394800 -21.1767 -5.10615 5.95655 -6.12546 64.9714 -52.1258 7.42181 -51.9736 -15.4374 TIMING: 2394800 CPU: 7566.54, 0.00315299/step Wall: 7566.54, 0.00315299/step, 2.28171 hours remaining, 237.968750 MB of memory in use. ENERGY: 2394800 4076.6529 20439.4090 14460.7980 240.0756 -203493.2812 2764.0907 0.0000 0.0000 51753.5135 -109758.7415 297.4282 -161512.2551 -109402.9327 298.5630 -220.9939 -194.0832 762131.2013 9.4674 9.4525 PRESSURE: 2395000 -230.607 -209.769 134.684 -209.769 62.8178 -62.6056 134.685 -62.605 -133.764 GPRESSURE: 2395000 -156.801 -236.117 210.69 -171.231 4.87831 -68.5454 217.413 -99.334 -63.1844 PRESSAVG: 2395000 -26.655 -7.42169 -20.9072 -7.42172 13.3715 -58.7103 -20.9072 -58.7103 3.80511 GPRESSAVG: 2395000 -26.7411 -6.87958 -21.7786 -7.79191 13.3677 -57.6215 -20.2429 -58.1372 4.37699 TIMING: 2395000 CPU: 7567.17, 0.00312955/step Wall: 7567.17, 0.00312955/step, 2.26458 hours remaining, 237.968750 MB of memory in use. ENERGY: 2395000 3933.3858 20481.4684 14447.1071 237.0213 -203188.0035 2592.3783 0.0000 0.0000 51875.0841 -109621.5585 298.1268 -161496.6426 -109258.4247 298.4983 -100.5179 -71.7025 762871.3586 -3.1594 -2.9988 PRESSURE: 2395200 -192.424 265.463 -81.6754 265.464 -186.667 179.144 -81.6746 179.145 -174.696 GPRESSURE: 2395200 -110.239 300.924 47.4517 274.199 -145.065 123.515 -135.245 166.002 -225.8 PRESSAVG: 2395200 -7.54404 57.7351 7.59347 57.7351 73.1655 62.5156 7.59351 62.5155 5.57689 GPRESSAVG: 2395200 -8.46379 57.6071 8.4902 56.1711 74.1185 62.8045 6.43061 62.4733 6.08048 TIMING: 2395200 CPU: 7567.8, 0.00313113/step Wall: 7567.8, 0.00313113/step, 2.26555 hours remaining, 237.968750 MB of memory in use. ENERGY: 2395200 4034.2781 20472.6764 14403.4201 235.5730 -203503.0520 2702.7273 0.0000 0.0000 51975.6277 -109678.7495 298.7046 -161654.3771 -109322.8197 298.3474 -184.5958 -160.3679 762388.9664 23.7328 23.9117 PRESSURE: 2395400 -21.0243 20.2021 -29.7518 20.2024 130.149 115.876 -29.7527 115.876 26.898 GPRESSURE: 2395400 -45.9482 125.59 71.781 -4.42833 98.5073 149.155 -92.9541 66.0856 148.286 PRESSAVG: 2395400 -1.20418 42.0844 -66.5924 42.0844 -35.0756 25.0539 -66.5925 25.0539 6.78117 GPRESSAVG: 2395400 -1.0956 42.6705 -64.7388 42.3354 -36.7942 23.6243 -67.7644 25.7286 8.07672 TIMING: 2395400 CPU: 7568.42, 0.00313986/step Wall: 7568.42, 0.00313986/step, 2.27169 hours remaining, 237.968750 MB of memory in use. ENERGY: 2395400 4016.7044 20536.1181 14367.6057 248.5938 -203364.9237 2562.6829 0.0000 0.0000 52015.8009 -109617.4178 298.9355 -161633.2187 -109254.3230 298.6994 45.3408 66.9482 762188.3811 -9.8329 -9.9377 PRESSURE: 2395600 374.924 151.93 -58.7956 151.93 -58.1072 373.415 -58.7954 373.415 226.124 GPRESSURE: 2395600 390.539 109.046 -47.549 27.3228 -124.971 290.257 -39.5843 212.442 367.947 PRESSAVG: 2395600 2.25189 23.4987 -79.4083 23.4986 -6.64819 -14.1424 -79.4083 -14.1424 -23.7961 GPRESSAVG: 2395600 2.42948 21.5237 -81.0577 26.3215 -6.3734 -12.5393 -76.7573 -17.1901 -24.1272 TIMING: 2395600 CPU: 7569.05, 0.00312202/step Wall: 7569.05, 0.00312202/step, 2.25861 hours remaining, 237.968750 MB of memory in use. ENERGY: 2395600 3877.2166 20585.9303 14391.6959 244.1745 -203427.8720 2862.9138 0.0000 0.0000 51867.5372 -109598.4037 298.0834 -161465.9409 -109237.6534 299.1119 180.9804 211.1719 763584.2234 -9.3975 -9.3570 PRESSURE: 2395800 129.717 -87.4517 13.6081 -87.4516 176.981 -227.25 13.6086 -227.249 -70.6984 GPRESSURE: 2395800 231.94 -68.1813 17.0041 -102.26 211.081 -212.475 2.51781 -75.8727 -104.231 PRESSAVG: 2395800 42.6855 11.858 3.60253 11.8579 -0.557577 -3.47115 3.60262 -3.47119 -7.2471 GPRESSAVG: 2395800 44.7014 11.2743 3.53226 10.704 -0.707503 -4.30644 1.15282 -0.396689 -8.13117 TIMING: 2395800 CPU: 7569.67, 0.00312664/step Wall: 7569.67, 0.00312664/step, 2.26177 hours remaining, 237.968750 MB of memory in use. ENERGY: 2395800 3911.9456 20451.8713 14371.9790 247.6720 -203412.7453 2803.8404 0.0000 0.0000 51967.2169 -109658.2201 298.6563 -161625.4371 -109285.0187 298.8516 78.6664 112.9301 761531.9993 11.6269 11.9542 PRESSURE: 2396000 345.933 -18.6434 -9.62652 -18.6433 259.958 201.569 -9.62623 201.569 -329.777 GPRESSURE: 2396000 337.859 100.375 -66.7687 -140.404 305.024 203.297 -16.7026 123.86 -283.511 PRESSAVG: 2396000 15.9998 -45.4188 -10.5008 -45.4187 -14.2152 -6.9681 -10.5008 -6.96809 -30.8841 GPRESSAVG: 2396000 16.0118 -43.0289 -9.24208 -47.1972 -14.4455 -7.30803 -10.5307 -8.09735 -30.7237 TIMING: 2396000 CPU: 7570.3, 0.00311668/step Wall: 7570.3, 0.00311668/step, 2.25439 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: 2396000 3903.6298 20635.3281 14382.1780 245.8178 -203383.2643 2622.0441 0.0000 0.0000 51625.8037 -109968.4627 296.6942 -161594.2665 -109606.2156 298.0655 92.0378 119.7908 759529.5930 -9.6998 -9.7191 PRESSURE: 2396200 54.2367 -213.741 -28.7016 -213.741 67.0057 -38.7881 -28.7025 -38.7885 116.506 GPRESSURE: 2396200 38.173 -217.352 -14.1546 -181.133 188.61 -113.259 -5.80494 25.4349 108.713 PRESSAVG: 2396200 -19.9218 -5.41383 -26.4961 -5.41379 -0.97997 14.9647 -26.4961 14.9647 -14.6696 GPRESSAVG: 2396200 -21.5461 -7.53282 -27.685 -5.70359 0.323191 15.4692 -24.6368 15.4576 -14.5841 TIMING: 2396200 CPU: 7570.92, 0.00314093/step Wall: 7570.92, 0.00314093/step, 2.27176 hours remaining, 237.968750 MB of memory in use. ENERGY: 2396200 3903.6588 20437.5737 14411.8309 250.8691 -203665.5704 2575.4570 0.0000 0.0000 51970.1026 -110116.0784 298.6729 -162086.1810 -109764.5196 297.8006 79.2493 111.8321 761866.9514 -11.8571 -11.9357 LDB: ============= START OF LOAD BALANCING ============== 7583.45 LDB: ============== END OF LOAD BALANCING =============== 7583.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7583.46 LDB: ============= START OF LOAD BALANCING ============== 7583.77 LDB: Largest compute 7026 load 0.032635 is 16.7% of average load 0.195610 LDB: Average compute 0.004411 is 2.3% of average load 0.195610 LDB: TIME 7583.77 LOAD: AVG 0.19561 MAX 0.216654 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.648 MB LDB: TIME 7583.77 LOAD: AVG 0.19561 MAX 0.216654 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: TIME 7583.77 LOAD: AVG 0.19561 MAX 0.216654 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.648 MB LDB: ============== END OF LOAD BALANCING =============== 7583.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7583.78 PRESSURE: 2396400 -77.1971 -124.503 -200.289 -124.503 197.331 -98.6478 -200.29 -98.6484 52.9206 GPRESSURE: 2396400 17.5253 94.4391 -153.243 -135.484 264.776 -139.226 -89.1635 -113.433 -17.0117 PRESSAVG: 2396400 -51.0845 -29.7062 11.6004 -29.7062 53.7535 -5.66492 11.6004 -5.66499 -9.05296 GPRESSAVG: 2396400 -52.919 -29.3559 11.8887 -29.0235 54.8188 -6.39324 10.3039 -5.64368 -9.03282 TIMING: 2396400 CPU: 7571.56, 0.00319765/step Wall: 7571.56, 0.00319765/step, 2.31261 hours remaining, 236.285156 MB of memory in use. ENERGY: 2396400 3996.2464 20346.4053 14405.4426 247.5469 -203497.5173 2616.4554 0.0000 0.0000 51792.0815 -110093.3393 297.6498 -161885.4207 -109719.7146 298.3427 57.6849 88.4298 762173.8169 -2.1280 -2.3777 PRESSURE: 2396600 -51.0362 192.906 -24.1843 192.906 27.3134 282.848 -24.1847 282.849 -278.272 GPRESSURE: 2396600 44.0013 178.746 -0.515353 112.031 -17.563 261.133 1.96225 186.085 -224.055 PRESSAVG: 2396600 25.7905 14.6514 16.3516 14.6514 6.33166 33.9109 16.3516 33.9109 -3.57774 GPRESSAVG: 2396600 28.0674 15.2824 18.1098 15.394 4.84127 35.0066 15.82 31.788 -4.41344 TIMING: 2396600 CPU: 7572.19, 0.0031116/step Wall: 7572.19, 0.0031116/step, 2.2502 hours remaining, 236.488281 MB of memory in use. ENERGY: 2396600 3928.7929 20495.0390 14418.0492 253.2996 -203861.5939 2680.3999 0.0000 0.0000 51949.9559 -110136.0574 298.5571 -162086.0134 -109772.9996 297.9814 -100.6649 -65.8723 760944.6738 9.5148 9.4984 PRESSURE: 2396800 144.367 269.665 144.672 269.666 19.4972 196.878 144.673 196.879 -73.2099 GPRESSURE: 2396800 156.675 174.476 172.45 351.991 140.359 189.222 20.7462 99.4024 -109.846 PRESSAVG: 2396800 -21.3819 3.18443 -6.35991 3.18448 -10.1436 -38.9514 -6.35998 -38.9513 -24.5369 GPRESSAVG: 2396800 -21.4215 1.47042 -7.59233 1.79007 -9.77603 -40.7502 -4.47533 -39.7911 -24.8165 TIMING: 2396800 CPU: 7572.81, 0.00311035/step Wall: 7572.81, 0.00311035/step, 2.24913 hours remaining, 236.488281 MB of memory in use. ENERGY: 2396800 3961.0585 20563.7185 14408.3801 240.3756 -203435.0779 2673.5716 0.0000 0.0000 51717.9548 -109870.0189 297.2238 -161587.9737 -109517.0795 297.3600 30.2180 62.3961 762787.2288 -18.6875 -18.6713 PRESSURE: 2397000 44.4264 68.5533 56.686 68.5523 -126.422 -195.319 56.686 -195.319 -2.70154 GPRESSURE: 2397000 106.443 82.1115 112.282 189.922 -189.147 -156.889 89.6242 -174.556 74.2486 PRESSAVG: 2397000 26.5819 -6.45347 6.26186 -6.45333 -29.4293 -1.08803 6.26185 -1.088 3.01521 GPRESSAVG: 2397000 25.3974 -3.2432 6.37558 -7.08301 -30.1525 1.2194 5.83081 -0.0489209 4.34089 TIMING: 2397000 CPU: 7573.43, 0.00311467/step Wall: 7573.43, 0.00311467/step, 2.25208 hours remaining, 236.695312 MB of memory in use. ENERGY: 2397000 4018.3322 20534.0568 14385.2395 264.8517 -203180.0764 2422.9825 0.0000 0.0000 51747.2920 -109807.3217 297.3924 -161554.6137 -109449.1486 298.1135 -28.2322 -2.8188 761539.1131 0.0559 -0.1381 PRESSURE: 2397200 9.80486 5.59129 311.524 5.59146 -479.526 -63.4226 311.524 -63.4235 -225.437 GPRESSURE: 2397200 -40.9774 38.2109 223.105 -37.8139 -324.912 -85.1475 170.62 -159.664 -215.503 PRESSAVG: 2397200 23.1181 -40.5572 62.4977 -40.5572 -24.2522 -10.8666 62.4976 -10.8666 -1.75233 GPRESSAVG: 2397200 23.3617 -40.1386 62.33 -42.2034 -23.4754 -11.6892 62.6393 -12.0037 -2.91434 TIMING: 2397200 CPU: 7574.06, 0.00312746/step Wall: 7574.06, 0.00312746/step, 2.26115 hours remaining, 236.695312 MB of memory in use. ENERGY: 2397200 4029.5576 20357.9358 14412.5968 248.7325 -203293.7236 2612.2553 0.0000 0.0000 51704.1084 -109928.5371 297.1442 -161632.6456 -109569.9841 297.8075 -231.7193 -193.7975 763620.1648 -0.9621 -1.0093 PRESSURE: 2397400 65.0482 -52.9215 -155.203 -52.9209 -186.063 -62.9879 -155.204 -62.9883 -0.0461065 GPRESSURE: 2397400 87.7782 -91.4234 -118.337 -25.7338 -193.391 -78.1604 -109.481 -19.802 77.1896 PRESSAVG: 2397400 -27.2368 -27.6455 -16.4268 -27.6455 15.5846 -27.6308 -16.4267 -27.6307 6.94353 GPRESSAVG: 2397400 -26.9968 -28.8427 -17.1341 -26.4547 14.9849 -28.6223 -15.0724 -26.2786 7.35379 TIMING: 2397400 CPU: 7574.68, 0.00311538/step Wall: 7574.68, 0.00311538/step, 2.25225 hours remaining, 236.695312 MB of memory in use. ENERGY: 2397400 3962.2813 20497.0679 14337.4842 239.5665 -203235.9046 2535.4145 0.0000 0.0000 51764.4976 -109899.5927 297.4913 -161664.0903 -109538.3066 298.1938 -40.3535 -9.4744 762627.0637 -1.5696 -1.5527 PRESSURE: 2397600 -160.05 159.4 13.8655 159.4 162.993 97.8511 13.8653 97.8515 36.2621 GPRESSURE: 2397600 -134.256 277.228 -12.1424 -67.2564 164.35 67.6536 194.685 91.3817 98.641 PRESSAVG: 2397600 -40.2145 -44.4506 27.2363 -44.4506 -19.1333 10.849 27.2363 10.849 33.1245 GPRESSAVG: 2397600 -40.7832 -43.3914 27.1108 -44.4035 -19.2221 10.8552 27.8944 14.0634 33.765 TIMING: 2397600 CPU: 7575.31, 0.00314341/step Wall: 7575.31, 0.00314341/step, 2.27233 hours remaining, 236.695312 MB of memory in use. ENERGY: 2397600 4054.2087 20455.1649 14361.3443 254.6882 -203698.8172 2850.2683 0.0000 0.0000 52045.9688 -109677.1741 299.1089 -161723.1428 -109327.1489 298.1355 13.0684 42.9116 760326.6525 -8.7411 -8.7468 PRESSURE: 2397800 152.373 72.5049 -100.483 72.5047 241.871 -91.6252 -100.483 -91.6254 51.1097 GPRESSURE: 2397800 199.454 69.858 -46.5764 12.6504 230.486 -81.8132 -180.238 -180.07 97.7036 PRESSAVG: 2397800 18.1222 11.7646 37.6501 11.7646 -8.36796 8.3485 37.65 8.34848 6.36606 GPRESSAVG: 2397800 19.5128 10.1783 38.1116 12.2258 -9.20062 6.907 36.9674 6.81317 5.32304 TIMING: 2397800 CPU: 7575.94, 0.00314238/step Wall: 7575.94, 0.00314238/step, 2.27142 hours remaining, 236.695312 MB of memory in use. ENERGY: 2397800 3987.5886 20392.2026 14333.5571 247.4049 -203202.0840 2501.1503 0.0000 0.0000 52022.6173 -109717.5632 298.9747 -161740.1805 -109357.6901 299.0236 148.4516 175.8815 759583.4177 5.3734 5.2117 PRESSURE: 2398000 128.872 19.9841 -180.629 19.9849 61.9694 -22.864 -180.629 -22.8638 233.957 GPRESSURE: 2398000 282.1 52.3164 -49.0221 196.265 -49.4892 -103.803 -131.815 185.764 272.665 PRESSAVG: 2398000 -12.6222 -29.8777 -49.3213 -29.8777 10.0646 -10.2587 -49.3213 -10.2587 22.3145 GPRESSAVG: 2398000 -14.2937 -29.9538 -48.1222 -29.9628 10.5673 -8.43439 -49.4377 -10.5544 23.5703 TIMING: 2398000 CPU: 7576.57, 0.00314831/step Wall: 7576.57, 0.00314831/step, 2.27553 hours remaining, 236.695312 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: 2398000 3974.6933 20499.2832 14432.3866 255.7230 -203670.5729 2665.6848 0.0000 0.0000 52015.0449 -109827.7570 298.9312 -161842.8019 -109462.1174 298.9196 141.5993 168.4253 759574.6351 6.5856 6.6146 PRESSURE: 2398200 27.8635 129.856 128.305 129.856 429.845 -72.7098 128.305 -72.7102 178.629 GPRESSURE: 2398200 118.274 116.968 80.0079 9.24897 428.415 -30.0069 170.866 15.9369 192.075 PRESSAVG: 2398200 25.5655 6.58061 -28.5403 6.58055 0.969852 37.8574 -28.5404 37.8574 -30.3144 GPRESSAVG: 2398200 26.7214 7.09231 -29.6054 5.91758 -0.539901 40.4957 -28.5789 37.4019 -30.9405 TIMING: 2398200 CPU: 7577.19, 0.00313635/step Wall: 7577.19, 0.00313635/step, 2.26671 hours remaining, 236.695312 MB of memory in use. ENERGY: 2398200 4014.2536 20353.2517 14407.8954 250.2290 -203747.1985 2969.0932 0.0000 0.0000 51850.9741 -109901.5015 297.9883 -161752.4756 -109543.3895 298.8639 212.1122 246.2546 759841.8282 -1.2597 -1.5863 PRESSURE: 2398400 286.706 -130.644 78.1361 -130.644 -88.2934 -148.318 78.1363 -148.317 768.736 GPRESSURE: 2398400 201.651 -78.142 225.606 -130.027 -21.7176 -175.614 19.5662 -306.436 862.066 PRESSAVG: 2398400 -10.2696 -4.58563 23.6168 -4.5857 14.1102 65.028 23.6168 65.028 0.280831 GPRESSAVG: 2398400 -11.2325 -6.19272 23.4529 -2.82053 14.6723 62.8789 22.4491 65.0899 0.222256 TIMING: 2398400 CPU: 7577.82, 0.00314165/step Wall: 7577.82, 0.00314165/step, 2.27037 hours remaining, 236.695312 MB of memory in use. ENERGY: 2398400 3888.2950 20537.0258 14368.5297 247.0263 -203489.2774 2635.6337 0.0000 0.0000 52103.7114 -109709.0555 299.4407 -161812.7669 -109337.1328 298.5665 322.3830 347.3329 760225.0545 1.3738 1.2207 PRESSURE: 2398600 61.2367 2.52491 -145.682 2.52556 115.867 138.122 -145.683 138.122 121.825 GPRESSURE: 2398600 150.232 -89.7789 -56.0797 -14.369 152.353 -10.2142 -119.791 37.7895 65.9753 PRESSAVG: 2398600 13.2063 -9.79055 9.34549 -9.79046 -55.4062 10.7802 9.34549 10.7801 6.46934 GPRESSAVG: 2398600 13.3592 -10.0371 11.2386 -10.7914 -54.5374 11.7788 8.67135 9.0582 6.41241 TIMING: 2398600 CPU: 7578.45, 0.00313786/step Wall: 7578.45, 0.00313786/step, 2.26745 hours remaining, 236.695312 MB of memory in use. ENERGY: 2398600 3953.7695 20397.5913 14407.5784 259.4433 -203797.4300 2733.6585 0.0000 0.0000 52202.3162 -109843.0729 300.0074 -162045.3891 -109475.5526 298.4156 99.6428 122.8535 761773.8710 -11.9102 -11.5886 PRESSURE: 2398800 -76.9072 -17.1033 -4.47318 -17.104 -127.758 -30.3318 -4.47321 -30.3318 -17.7583 GPRESSURE: 2398800 -172.97 11.7823 -76.8114 -25.7046 -105.926 -62.6985 -39.7466 -5.37799 103.836 PRESSAVG: 2398800 -29.2547 -9.96099 -50.9711 -9.961 25.437 -12.5242 -50.9712 -12.5242 40.9301 GPRESSAVG: 2398800 -30.0953 -8.1882 -51.617 -12.3271 25.3402 -12.232 -49.8535 -12.368 41.6744 TIMING: 2398800 CPU: 7579.08, 0.00312927/step Wall: 7579.08, 0.00312927/step, 2.26107 hours remaining, 236.695312 MB of memory in use. ENERGY: 2398800 4053.7294 20451.1978 14460.3330 246.6210 -203191.5826 2461.2669 0.0000 0.0000 51822.9272 -109695.5072 297.8271 -161518.4345 -109339.7194 298.6923 -74.1410 -58.3529 761926.6248 12.3708 12.3065 PRESSURE: 2399000 -216.472 -44.7075 -177.43 -44.708 -356.783 164.105 -177.431 164.105 -257.936 GPRESSURE: 2399000 -227.1 -35.6881 -125.662 7.65367 -252.625 121.222 -39.9883 230.592 -260.656 PRESSAVG: 2399000 21.5629 -25.2757 -34.7771 -25.2757 -2.09194 15.1755 -34.7771 15.1754 5.05811 GPRESSAVG: 2399000 21.8486 -24.8298 -36.9721 -23.2873 -2.17864 13.4488 -33.5531 16.8306 4.95425 TIMING: 2399000 CPU: 7579.7, 0.00313635/step Wall: 7579.7, 0.00313635/step, 2.26601 hours remaining, 236.695312 MB of memory in use. ENERGY: 2399000 3884.5137 20580.9606 14392.4175 231.1919 -203262.3823 2298.2435 0.0000 0.0000 52097.4114 -109777.6437 299.4045 -161875.0551 -109420.4238 298.1048 -277.0636 -246.7936 762381.1954 8.1764 8.2081 PRESSURE: 2399200 -566.047 -45.6125 -126.415 -45.6124 -309.625 39.6359 -126.415 39.6364 -170.057 GPRESSURE: 2399200 -573.025 -77.7732 -95.7702 -114.862 -335.521 58.1499 -81.0405 17.0117 -48.8064 PRESSAVG: 2399200 -6.15899 -51.0338 -41.0226 -51.0338 0.134218 35.3607 -41.0225 35.3605 -16.0498 GPRESSAVG: 2399200 -6.06471 -51.5146 -39.3197 -52.2204 -0.879908 35.5844 -44.6168 36.08 -15.3127 TIMING: 2399200 CPU: 7580.33, 0.00314851/step Wall: 7580.33, 0.00314851/step, 2.27462 hours remaining, 236.683594 MB of memory in use. ENERGY: 2399200 4008.8804 20553.0339 14436.9004 242.2195 -203726.8947 2563.2545 0.0000 0.0000 52095.5995 -109827.0066 299.3941 -161922.6061 -109466.7118 298.3177 -348.5764 -319.1176 761949.9466 -7.3582 -7.4191 PRESSURE: 2399400 181.392 23.5005 -164.56 23.5006 -243.403 -284.505 -164.56 -284.506 456.29 GPRESSURE: 2399400 119.786 14.9026 -182.411 -10.7347 -56.4339 -311.436 -139.554 -234.243 427.348 PRESSAVG: 2399400 -57.9255 33.9904 -28.2239 33.9904 55.7192 32.5726 -28.2239 32.5727 0.685067 GPRESSAVG: 2399400 -57.6531 33.9118 -30.1677 34.9892 56.0365 31.887 -26.6868 33.5196 0.471265 TIMING: 2399400 CPU: 7580.96, 0.00311705/step Wall: 7580.96, 0.00311705/step, 2.25172 hours remaining, 236.683594 MB of memory in use. ENERGY: 2399400 4044.7261 20580.1673 14371.5068 245.3223 -203207.8835 2498.3015 0.0000 0.0000 51858.5927 -109609.2669 298.0320 -161467.8596 -109250.3366 298.2226 131.4262 163.5667 761931.5578 -0.5071 -0.3818 PRESSURE: 2399600 47.0717 -232.784 121.999 -232.784 -53.7036 -11.6896 121.999 -11.6887 -408.155 GPRESSURE: 2399600 -13.7892 -200.899 28.7528 -239.727 23.0538 31.0817 68.5644 -165.175 -342.226 PRESSAVG: 2399600 -37.7942 -41.5156 4.04924 -41.5156 50.5381 -8.88119 4.04931 -8.8812 22.969 GPRESSAVG: 2399600 -39.4908 -42.2888 4.58185 -42.545 51.9452 -8.40482 3.13867 -11.6522 23.224 TIMING: 2399600 CPU: 7581.58, 0.0031272/step Wall: 7581.58, 0.0031272/step, 2.25888 hours remaining, 236.683594 MB of memory in use. ENERGY: 2399600 3921.3063 20553.8889 14472.0201 263.3331 -203860.8491 2976.2895 0.0000 0.0000 52083.2698 -109590.7414 299.3233 -161674.0113 -109222.4021 298.9518 -138.2623 -110.9870 762137.4980 11.9043 11.8928 PRESSURE: 2399800 -426.761 8.7477 65.0023 8.74772 -281.76 10.1841 65.0021 10.1844 50.1905 GPRESSURE: 2399800 -371.986 -49.7845 79.1858 50.4759 -225.176 7.09738 2.98067 -51.0777 26.3247 PRESSAVG: 2399800 45.2386 17.7125 67.9464 17.7125 -31.8593 -74.9917 67.9464 -74.9917 8.693 GPRESSAVG: 2399800 47.436 18.3999 68.9916 18.6839 -33.3611 -74.4296 68.3015 -75.7373 8.5478 TIMING: 2399800 CPU: 7582.21, 0.00313777/step Wall: 7582.21, 0.00313777/step, 2.26634 hours remaining, 236.683594 MB of memory in use. ENERGY: 2399800 4028.2419 20440.8731 14374.3228 241.4826 -203041.3325 2410.1640 0.0000 0.0000 51918.1522 -109628.0958 298.3743 -161546.2480 -109265.7157 298.8639 -219.4436 -190.2788 761773.0884 7.3574 7.5409 WRITING COORDINATES TO DCD FILE MD.1.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: 2400000 -8.68505 -54.5508 -78.5029 -54.551 266.769 240.133 -78.5037 240.133 460.383 GPRESSURE: 2400000 -8.00946 -117.362 20.3239 -91.4992 273.469 230.025 -5.81832 374.94 535.986 PRESSAVG: 2400000 -12.5301 -1.01471 20.3375 -1.01478 24.9682 11.3313 20.3376 11.3314 2.59851 GPRESSAVG: 2400000 -13.6171 -1.04381 20.2536 -3.08128 25.8837 10.1921 22.5205 13.6186 2.32469 TIMING: 2400000 CPU: 7582.86, 0.00325035/step Wall: 7582.86, 0.00325035/step, 2.34748 hours remaining, 236.683594 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: 2400000 3962.5824 20598.6175 14481.9034 231.1872 -203911.0607 2994.2196 0.0000 0.0000 52094.6798 -109547.8709 299.3888 -161642.5506 -109184.7056 298.9984 239.4891 267.1484 758666.3369 5.0122 4.8638 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 PRESSURE: 2400200 -97.2895 -53.2658 -38.152 -53.2646 266.124 87.9135 -38.1516 87.913 -3.15689 GPRESSURE: 2400200 -31.8696 -13.4674 -11.4013 -80.3262 187.379 43.6207 -110.997 74.1978 86.8699 PRESSAVG: 2400200 -15.5463 -17.9069 5.1031 -17.9069 -10.1079 -0.943713 5.10311 -0.943757 -12.1526 GPRESSAVG: 2400200 -15.7709 -19.5272 5.37466 -15.6322 -10.7314 -0.808202 3.35416 -1.58076 -11.4791 TIMING: 2400200 CPU: 7583.5, 0.0032125/step Wall: 7583.5, 0.0032125/step, 2.31996 hours remaining, 236.683594 MB of memory in use. ENERGY: 2400200 3943.6161 20457.3085 14502.8187 256.4605 -203604.6664 2916.8254 0.0000 0.0000 52035.1295 -109492.5076 299.0466 -161527.6372 -109115.5075 298.9082 55.2257 80.7930 762863.5918 -12.6022 -12.6605 LDB: ============= START OF LOAD BALANCING ============== 7596.04 LDB: ============== END OF LOAD BALANCING =============== 7596.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.04 LDB: ============= START OF LOAD BALANCING ============== 7596.35 LDB: Largest compute 7026 load 0.032427 is 16.6% of average load 0.195521 LDB: Average compute 0.004389 is 2.2% of average load 0.195521 LDB: TIME 7596.36 LOAD: AVG 0.195521 MAX 0.217542 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.848 MB LDB: TIME 7596.36 LOAD: AVG 0.195521 MAX 0.217542 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: TIME 7596.36 LOAD: AVG 0.195521 MAX 0.217542 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.918 MB LDB: ============== END OF LOAD BALANCING =============== 7596.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7596.36 PRESSURE: 2400400 109.764 54.6817 -1.66091 54.6815 -93.9434 92.8387 -1.66124 92.8392 -114.037 GPRESSURE: 2400400 121.881 2.70551 16.5135 60.8573 13.1627 -2.17685 -37.9571 169.494 -131.635 PRESSAVG: 2400400 18.2514 -7.86512 19.6527 -7.86517 4.17336 -7.54568 19.6526 -7.54557 11.2838 GPRESSAVG: 2400400 18.1825 -6.90388 18.0956 -8.21268 5.36272 -6.90545 21.4209 -6.72145 9.54138 TIMING: 2400400 CPU: 7584.15, 0.00322247/step Wall: 7584.15, 0.00322247/step, 2.32698 hours remaining, 234.816406 MB of memory in use. ENERGY: 2400400 4037.2277 20473.2326 14438.9697 244.8589 -203633.9716 2958.1864 0.0000 0.0000 51979.6437 -109501.8526 298.7277 -161481.4963 -109136.8559 299.3840 -32.7387 1.1361 764127.9346 11.2362 11.0289 PRESSURE: 2400600 288.617 202.184 5.59159 202.185 59.5313 3.5191 5.59142 3.51823 150.096 GPRESSURE: 2400600 280.083 171.723 8.42985 78.2857 180.157 -4.0921 15.1023 -58.4836 150.517 PRESSAVG: 2400600 25.5278 3.00185 -7.18913 3.00189 22.0066 -24.1988 -7.18914 -24.1988 12.6136 GPRESSAVG: 2400600 24.457 4.59029 -7.03894 2.62832 22.7215 -24.9559 -8.14962 -26.6528 12.6487 TIMING: 2400600 CPU: 7584.78, 0.00314634/step Wall: 7584.78, 0.00314634/step, 2.27183 hours remaining, 234.816406 MB of memory in use. ENERGY: 2400600 4000.1970 20397.9450 14415.1902 252.4480 -203274.1137 2701.8573 0.0000 0.0000 52188.8730 -109317.6032 299.9302 -161506.4762 -108956.7031 298.6894 166.0816 203.5856 761163.2460 20.0494 19.9424 PRESSURE: 2400800 -190.618 34.2728 -200.272 34.2736 -52.1386 49.4544 -200.271 49.4549 -426.508 GPRESSURE: 2400800 -85.7533 25.3185 -278.589 83.3816 -133.055 59.7589 -186.308 97.62 -371.503 PRESSAVG: 2400800 -32.3529 17.3273 57.9734 17.3273 8.30921 -12.3898 57.9734 -12.3898 1.90739 GPRESSAVG: 2400800 -30.1442 15.7434 58.9527 18.136 5.89025 -12.0457 56.3646 -11.4385 1.58652 TIMING: 2400800 CPU: 7585.4, 0.00312848/step Wall: 7585.4, 0.00312848/step, 2.25876 hours remaining, 234.816406 MB of memory in use. ENERGY: 2400800 4021.3861 20709.3495 14468.0151 225.1845 -202903.5829 2295.3317 0.0000 0.0000 52050.9911 -109133.3249 299.1378 -161184.3160 -108778.8237 299.5665 -223.0879 -196.7702 763563.5554 -7.3788 -7.5558 PRESSURE: 2401000 -333.312 -186.12 154.448 -186.119 -245.825 -26.9923 154.448 -26.9923 -126.9 GPRESSURE: 2401000 -259.413 -185.537 193.709 -127.44 -242.563 -52.8815 5.00099 -68.9497 -136.807 PRESSAVG: 2401000 35.4476 -33.2478 -19.2842 -33.2479 -26.3834 -44.7595 -19.2841 -44.7594 6.10402 GPRESSAVG: 2401000 34.741 -33.3052 -19.9374 -34.7198 -26.3909 -45.0592 -20.001 -45.258 6.67731 TIMING: 2401000 CPU: 7586.03, 0.00316046/step Wall: 7586.03, 0.00316046/step, 2.28167 hours remaining, 234.816406 MB of memory in use. ENERGY: 2401000 3950.0186 20557.5188 14399.1701 225.1493 -202941.0019 2485.6347 0.0000 0.0000 52220.3489 -109103.1617 300.1111 -161323.5106 -108728.3032 299.7571 -235.3455 -212.9275 763131.7065 5.0561 5.0091 PRESSURE: 2401200 115.35 156.258 141.995 156.259 69.2361 -209.435 141.995 -209.435 -54.6732 GPRESSURE: 2401200 36.7741 223.972 75.56 -44.1557 184.642 -237.663 118.502 -11.1113 6.22644 PRESSAVG: 2401200 55.014 6.02382 -25.1539 6.02376 -85.9199 -18.3421 -25.1538 -18.3421 -3.36894 GPRESSAVG: 2401200 53.941 5.7486 -24.6702 7.30784 -84.2637 -19.2128 -23.2077 -17.166 -3.96284 TIMING: 2401200 CPU: 7586.66, 0.00315191/step Wall: 7586.66, 0.00315191/step, 2.27533 hours remaining, 235.074219 MB of memory in use. ENERGY: 2401200 3947.4280 20557.1318 14542.0968 234.3510 -203401.1966 2913.6537 0.0000 0.0000 52047.3608 -109159.1745 299.1169 -161206.5353 -108791.3964 299.5114 43.3041 75.8807 762365.0802 -11.4249 -11.4285 PRESSURE: 2401400 -75.1372 192.789 -62.7027 192.789 -336.135 -202.785 -62.7024 -202.785 -75.8759 GPRESSURE: 2401400 -0.0119194 17.9904 -60.3952 142.699 -337.263 -98.1921 -147.774 -233.94 -81.9422 PRESSAVG: 2401400 51.2204 10.0584 18.7571 10.0583 -38.8966 -2.58903 18.7571 -2.58891 -18.9792 GPRESSAVG: 2401400 51.7695 10.2369 18.459 8.98772 -40.0858 -2.38948 19.1625 -3.34808 -18.6648 TIMING: 2401400 CPU: 7587.29, 0.00313976/step Wall: 7587.29, 0.00313976/step, 2.26638 hours remaining, 235.074219 MB of memory in use. ENERGY: 2401400 4008.8065 20495.1480 14500.3376 260.7799 -202926.1192 2248.3119 0.0000 0.0000 52179.2828 -109233.4526 299.8751 -161412.7353 -108871.1662 299.6801 -162.3828 -139.7389 761100.6923 -2.2185 -2.3271 PRESSURE: 2401600 -87.8755 -19.2215 307.478 -19.2208 201.89 210.8 307.478 210.801 -329.073 GPRESSURE: 2401600 -88.6369 -25.486 379.397 -49.3853 181.026 260.536 411.475 40.2464 -219.781 PRESSAVG: 2401600 7.49886 22.0146 -60.0039 22.0146 -9.54088 -26.8247 -60.0039 -26.8247 15.2716 GPRESSAVG: 2401600 8.9153 21.4751 -59.6761 24.9319 -9.08851 -27.9098 -59.6132 -26.4026 13.7886 TIMING: 2401600 CPU: 7587.92, 0.00314287/step Wall: 7587.92, 0.00314287/step, 2.26845 hours remaining, 235.074219 MB of memory in use. ENERGY: 2401600 4000.0751 20648.3261 14409.2451 227.2909 -203439.3647 2713.4227 0.0000 0.0000 52083.4152 -109357.5898 299.3241 -161441.0049 -108984.0269 298.9413 -71.6863 -42.4639 762198.0592 4.4099 4.5385 PRESSURE: 2401800 -82.4644 20.4602 60.5407 20.4614 -105.169 -212.627 60.5405 -212.628 -480.681 GPRESSURE: 2401800 11.8834 110.596 61.5711 55.924 -164.319 -157.02 -47.4113 -187.994 -455.627 PRESSAVG: 2401800 4.69254 14.081 15.459 14.081 7.00029 32.8945 15.4589 32.8944 -13.382 GPRESSAVG: 2401800 3.7955 14.5266 12.2365 14.0708 6.6267 35.2329 14.2559 31.0961 -12.2699 TIMING: 2401800 CPU: 7588.55, 0.00313656/step Wall: 7588.55, 0.00313656/step, 2.26372 hours remaining, 235.074219 MB of memory in use. ENERGY: 2401800 3979.9899 20366.8614 14363.6450 230.4017 -203234.1241 2541.5389 0.0000 0.0000 52101.5306 -109650.1566 299.4282 -161751.6872 -109299.8984 298.7682 -222.7715 -202.6875 763258.7023 -0.5631 -0.6159 PRESSURE: 2402000 35.7411 -169.813 -373.707 -169.814 -176.976 -26.4407 -373.707 -26.4403 480.07 GPRESSURE: 2402000 107.046 -181.311 -320.316 -111.413 -140.079 -84.9163 -130.693 -55.8472 442.187 PRESSAVG: 2402000 -6.35759 -11.2247 10.0321 -11.2247 -13.7121 -21.1608 10.0321 -21.1607 13.4255 GPRESSAVG: 2402000 -6.16369 -10.9107 13.0922 -10.3149 -14.0193 -20.8444 10.6995 -21.1755 12.9931 TIMING: 2402000 CPU: 7589.18, 0.00314465/step Wall: 7589.18, 0.00314465/step, 2.26939 hours remaining, 235.074219 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: 2402000 3952.1250 20536.4300 14475.6302 270.5554 -203210.7740 2653.4903 0.0000 0.0000 51929.6880 -109392.8549 298.4406 -161322.5429 -109038.2991 298.5362 112.9452 136.3846 760676.9055 -2.2147 -2.3966 PRESSURE: 2402200 224.576 111.995 -21.784 111.995 237.365 -33.0792 -21.7841 -33.0794 145.581 GPRESSURE: 2402200 214.793 34.0916 2.65095 126.784 257.685 -88 -44.0523 -107.057 223.233 PRESSAVG: 2402200 16.322 -12.3184 40.6809 -12.3184 -16.0655 10.9815 40.6809 10.9815 10.1928 GPRESSAVG: 2402200 14.0103 -13.172 39.947 -12.5035 -14.7928 9.06597 39.5039 11.7172 10.8373 TIMING: 2402200 CPU: 7589.8, 0.00312671/step Wall: 7589.8, 0.00312671/step, 2.25627 hours remaining, 235.074219 MB of memory in use. ENERGY: 2402200 3957.8743 20509.4435 14459.4781 248.8713 -203578.8283 2784.6856 0.0000 0.0000 51990.9189 -109627.5565 298.7925 -161618.4754 -109262.4841 298.9068 202.5075 231.9038 760112.5747 3.4831 3.3516 PRESSURE: 2402400 -194.456 -33.6633 260.123 -33.662 85.9764 -104.244 260.123 -104.244 354.691 GPRESSURE: 2402400 -136.804 -5.95791 266.837 -58.3882 76.4813 -188.403 286.361 35.9402 388.73 PRESSAVG: 2402400 -54.3244 -50.7029 -7.49874 -50.7029 58.1173 5.24274 -7.49866 5.24268 6.84324 GPRESSAVG: 2402400 -53.0476 -48.8265 -8.47222 -53.8336 56.6992 6.20038 -6.96785 4.95748 6.90199 TIMING: 2402400 CPU: 7590.43, 0.00315405/step Wall: 7590.43, 0.00315405/step, 2.27582 hours remaining, 235.074219 MB of memory in use. ENERGY: 2402400 3963.2308 20672.5180 14421.8917 241.6831 -203196.0714 2602.5320 0.0000 0.0000 51759.4731 -109534.7427 297.4624 -161294.2158 -109175.0348 298.5602 82.0704 109.4690 762897.5523 3.5454 3.5179 PRESSURE: 2402600 -109.92 89.1309 -10.4707 89.1308 -204.912 105.164 -10.4704 105.164 -53.9281 GPRESSURE: 2402600 -130.212 102.337 12.612 33.6829 -186.312 80.415 119.464 121.976 57.4642 PRESSAVG: 2402600 8.7739 -38.004 -6.99252 -38.004 -10.8579 26.4753 -6.99249 26.4753 5.76828 GPRESSAVG: 2402600 7.31515 -40.088 -6.18097 -36.5325 -11.0316 25.9869 -7.87859 27.0284 6.82257 TIMING: 2402600 CPU: 7591.07, 0.00317084/step Wall: 7591.07, 0.00317084/step, 2.28776 hours remaining, 235.074219 MB of memory in use. ENERGY: 2402600 3959.3652 20460.0789 14467.6878 272.6548 -203408.3739 2581.1417 0.0000 0.0000 52172.8095 -109494.6360 299.8379 -161667.4455 -109129.6682 298.5654 -122.9201 -86.3533 761187.6484 1.2281 1.0354 PRESSURE: 2402800 -293.705 -250.625 -218.198 -250.625 -244.894 -83.2233 -218.199 -83.2239 -21.2277 GPRESSURE: 2402800 -202.413 -165.813 -217.081 -224.371 -214.115 -61.6579 -206.59 -172.739 -51.5473 PRESSAVG: 2402800 -14.1937 44.9058 -16.3665 44.9058 33.7465 -64.8617 -16.3666 -64.8618 12.7757 GPRESSAVG: 2402800 -13.8224 48.0349 -15.8943 45.8859 33.891 -65.2515 -14.4343 -65.3806 12.0776 TIMING: 2402800 CPU: 7591.7, 0.00316675/step Wall: 7591.7, 0.00316675/step, 2.28463 hours remaining, 235.074219 MB of memory in use. ENERGY: 2402800 3976.5749 20582.3072 14469.2643 253.2052 -203286.7506 2547.3104 0.0000 0.0000 51916.9845 -109541.1041 298.3676 -161458.0886 -109174.6519 298.6089 -186.6088 -156.0252 761026.8313 10.7762 10.7154 PRESSURE: 2403000 75.2933 232.523 54.182 232.522 196.132 346.449 54.1829 346.449 198.536 GPRESSURE: 2403000 161.312 324.564 72.6544 240.322 198.41 286.674 130.473 328.244 213.122 PRESSAVG: 2403000 -71.4394 11.3494 -27.9422 11.3494 19.583 8.49534 -27.9421 8.49529 10.7686 GPRESSAVG: 2403000 -70.5014 9.89693 -29.3484 13.2364 20.3935 9.75971 -28.3284 9.25038 8.42556 TIMING: 2403000 CPU: 7592.33, 0.00315172/step Wall: 7592.33, 0.00315172/step, 2.27361 hours remaining, 235.074219 MB of memory in use. ENERGY: 2403000 3998.5413 20508.0009 14452.7066 263.4110 -203289.0018 2789.7761 0.0000 0.0000 51834.3116 -109442.2544 297.8925 -161276.5660 -109076.4626 298.2831 156.6538 190.9481 761185.4962 -13.6959 -13.8941 PRESSURE: 2403200 -122.239 97.1199 -117.735 97.1197 400.928 -172.743 -117.735 -172.744 -225.631 GPRESSURE: 2403200 -85.7458 67.2675 -133.971 -0.823304 313.009 -165.407 3.56585 -139.623 -75.0858 PRESSAVG: 2403200 -37.6472 -4.81646 -20.9852 -4.81644 89.4052 40.6493 -20.9851 40.6492 6.81951 GPRESSAVG: 2403200 -39.1359 -6.76295 -19.903 -5.95631 88.9241 41.1893 -18.9443 39.9317 8.64381 TIMING: 2403200 CPU: 7592.96, 0.00315127/step Wall: 7592.96, 0.00315127/step, 2.27312 hours remaining, 235.074219 MB of memory in use. ENERGY: 2403200 4061.3267 20447.1883 14475.6068 246.4935 -203330.5481 2682.1116 0.0000 0.0000 51842.4145 -109575.4067 297.9391 -161417.8212 -109222.1016 298.9658 17.6858 50.7256 759309.5274 19.5259 19.4773 PRESSURE: 2403400 -181.583 136.482 -98.0794 136.482 -280.326 -124.255 -98.0789 -124.256 173.87 GPRESSURE: 2403400 -188.678 279.352 -59.1377 144.281 -203.252 -155.949 -41.4199 -52.8055 181.877 PRESSAVG: 2403400 -45.1427 -19.6521 1.81382 -19.6521 36.7091 -26.6507 1.81381 -26.6507 -1.0551 GPRESSAVG: 2403400 -42.4466 -17.7877 1.03584 -19.8347 36.0488 -26.6364 0.245582 -26.5316 -2.95414 TIMING: 2403400 CPU: 7593.59, 0.00315481/step Wall: 7593.59, 0.00315481/step, 2.27549 hours remaining, 235.074219 MB of memory in use. ENERGY: 2403400 3959.6842 20656.4336 14483.8446 249.5345 -203200.4731 2609.6314 0.0000 0.0000 51759.0169 -109482.3280 297.4598 -161241.3449 -109138.2731 298.4301 -96.0130 -70.0179 761546.4231 -3.1629 -3.1173 PRESSURE: 2403600 -79.42 -3.22836 32.2469 -3.22788 -135.365 175.056 32.2467 175.057 193.078 GPRESSURE: 2403600 -56.1173 -26.7819 23.4112 -34.1252 -138.998 75.5764 90.5062 212.292 245.293 PRESSAVG: 2403600 -10.9107 -27.3724 -23.3179 -27.3724 36.3062 -10.3266 -23.3179 -10.3266 10.5725 GPRESSAVG: 2403600 -12.1644 -28.0252 -23.1065 -26.2983 36.8688 -11.1206 -23.4666 -10.9745 11.0317 TIMING: 2403600 CPU: 7594.22, 0.00316126/step Wall: 7594.22, 0.00316126/step, 2.27997 hours remaining, 235.074219 MB of memory in use. ENERGY: 2403600 3975.5822 20470.7107 14487.3954 239.6837 -203356.0283 2620.7758 0.0000 0.0000 51920.9777 -109640.9029 298.3906 -161561.8805 -109281.4318 298.8378 -7.2357 16.7258 761120.0294 11.9894 11.9120 PRESSURE: 2403800 86.4346 146.88 -9.00826 146.879 -370.471 -97.2748 -9.00839 -97.2746 -304.533 GPRESSURE: 2403800 73.4634 12.532 11.2798 261.801 -244.547 -71.1053 -101.32 -154.482 -305.784 PRESSAVG: 2403800 22.2771 -12.938 23.101 -12.938 3.80571 -28.0667 23.1009 -28.0666 -4.20647 GPRESSAVG: 2403800 21.2874 -15.7404 24.6308 -13.8821 3.81013 -26.4384 20.8935 -28.2223 -3.08749 TIMING: 2403800 CPU: 7594.85, 0.00313991/step Wall: 7594.85, 0.00313991/step, 2.2644 hours remaining, 235.074219 MB of memory in use. ENERGY: 2403800 4046.9319 20472.3812 14380.7640 233.6124 -203338.6833 2557.4460 0.0000 0.0000 52053.3156 -109594.2322 299.1511 -161647.5478 -109226.2640 298.7345 -196.1897 -158.9558 760675.3799 7.2921 7.3367 PRESSURE: 2404000 271.916 176.291 16.258 176.291 -53.1341 113.904 16.2574 113.904 232.872 GPRESSURE: 2404000 256.055 230.272 -56.1319 41.7428 13.4248 76.4078 -46.9061 282.404 259.937 PRESSAVG: 2404000 12.9692 41.4531 -15.3811 41.4532 -27.8504 -14.2967 -15.3812 -14.2967 -6.93676 GPRESSAVG: 2404000 13.2252 41.8074 -16.1125 41.675 -27.7314 -15.9664 -14.9969 -14.233 -7.71097 TIMING: 2404000 CPU: 7595.48, 0.00314717/step Wall: 7595.48, 0.00314717/step, 2.26946 hours remaining, 235.074219 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: 2404000 4006.7918 20629.1963 14452.2021 246.6546 -203303.9023 2663.9341 0.0000 0.0000 51956.2093 -109348.9140 298.5930 -161305.1234 -108999.1649 298.8165 150.5512 176.4720 760946.8841 -7.2726 -7.4057 PRESSURE: 2404200 38.2829 -46.2827 159.485 -46.2827 344.861 97.5556 159.484 97.557 166.372 GPRESSURE: 2404200 64.0807 -75.9593 149.817 -73.7469 273.391 142.749 93.2835 149.968 300.851 PRESSAVG: 2404200 -72.877 -51.7262 39.0685 -51.7263 23.0719 22.9158 39.0685 22.9158 -2.32085 GPRESSAVG: 2404200 -74.5008 -51.1076 38.8205 -52.1245 23.5235 22.9693 41.2917 24.0834 -1.51941 TIMING: 2404200 CPU: 7596.11, 0.00314954/step Wall: 7596.11, 0.00314954/step, 2.27099 hours remaining, 235.074219 MB of memory in use. ENERGY: 2404200 3866.8258 20485.9512 14439.6919 244.7395 -203839.7012 3102.0841 0.0000 0.0000 52347.9423 -109352.4664 300.8443 -161700.4087 -108986.5515 298.4560 183.1719 212.7741 760607.7987 -17.3753 -17.4989 LDB: ============= START OF LOAD BALANCING ============== 7608.64 LDB: ============== END OF LOAD BALANCING =============== 7608.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7608.65 LDB: ============= START OF LOAD BALANCING ============== 7608.96 LDB: Largest compute 7026 load 0.032536 is 16.6% of average load 0.195513 LDB: Average compute 0.004393 is 2.2% of average load 0.195513 LDB: TIME 7608.97 LOAD: AVG 0.195513 MAX 0.215871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.293 MB LDB: TIME 7608.97 LOAD: AVG 0.195513 MAX 0.215871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: TIME 7608.97 LOAD: AVG 0.195513 MAX 0.215871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: ============== END OF LOAD BALANCING =============== 7608.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7608.97 PRESSURE: 2404400 159.973 78.7328 -197.707 78.7331 -9.58653 100.641 -197.707 100.642 430.834 GPRESSURE: 2404400 189.059 -14.8843 -216.99 150.364 25.5434 91.2481 -226.327 103.571 466.865 PRESSAVG: 2404400 -3.22988 -23.5277 -60.0229 -23.5277 61.5622 -18.8027 -60.0229 -18.8027 0.0241229 GPRESSAVG: 2404400 -3.42405 -23.0077 -59.721 -20.6481 62.2696 -18.1453 -61.0118 -18.5917 0.0990797 TIMING: 2404400 CPU: 7596.76, 0.00322756/step Wall: 7596.76, 0.00322757/step, 2.32707 hours remaining, 235.718750 MB of memory in use. ENERGY: 2404400 3923.1984 20606.1721 14451.2962 244.0016 -203412.2846 2803.2025 0.0000 0.0000 52007.5426 -109376.8712 298.8881 -161384.4138 -109019.2159 298.8761 193.7399 227.1558 762274.3362 19.4521 19.6482 PRESSURE: 2404600 -204.587 -252.728 -254.698 -252.729 -148.327 -112.103 -254.698 -112.104 -449.369 GPRESSURE: 2404600 -187.793 -113.601 -295.769 -192.542 -85.7333 -115.702 -258.78 -36.7292 -440.388 PRESSAVG: 2404600 -52.5844 24.2068 4.46736 24.2068 40.9264 11.2839 4.46734 11.2839 -6.96744 GPRESSAVG: 2404600 -52.7857 23.743 3.424 22.2507 41.3613 11.0678 5.7407 11.5658 -7.61182 TIMING: 2404600 CPU: 7597.38, 0.00313946/step Wall: 7597.38, 0.00313947/step, 2.26338 hours remaining, 236.035156 MB of memory in use. ENERGY: 2404600 4018.4123 20485.5973 14433.7999 250.5438 -203680.0276 2918.4216 0.0000 0.0000 52038.5173 -109534.7354 299.0661 -161573.2526 -109175.2047 299.1597 -267.4276 -237.9715 761819.8177 -6.2085 -6.3454 PRESSURE: 2404800 -44.694 111.033 -84.578 111.032 -21.7762 307.784 -84.5781 307.784 97.8992 GPRESSURE: 2404800 54.0183 21.7639 16.6139 89.9517 -39.8273 225.502 -58.6219 133.694 112.773 PRESSAVG: 2404800 -78.3809 10.3701 -13.2725 10.3701 36.5211 38.3353 -13.2725 38.3354 1.13474 GPRESSAVG: 2404800 -76.3338 12.0854 -11.9733 8.12218 33.8541 36.6727 -14.1704 37.3739 1.85684 TIMING: 2404800 CPU: 7598.01, 0.0031102/step Wall: 7598.01, 0.0031102/step, 2.24211 hours remaining, 236.054688 MB of memory in use. ENERGY: 2404800 4009.4900 20296.2403 14501.4216 253.0974 -203515.8298 2702.4540 0.0000 0.0000 52195.3168 -109557.8097 299.9672 -161753.1265 -109191.2452 299.1204 10.4763 42.3213 762614.3528 -13.5750 -13.5410 PRESSURE: 2405000 -281.799 -111.717 276.647 -111.717 165.183 -249.526 276.646 -249.525 -319.747 GPRESSURE: 2405000 -263.665 -30.428 234.381 -132.896 155.787 -298.52 269.112 -185.203 -214.691 PRESSAVG: 2405000 36.0221 -17.8885 -5.24336 -17.8885 -14.1641 4.81922 -5.24339 4.81928 -5.73807 GPRESSAVG: 2405000 36.7735 -19.2715 -5.68974 -16.1535 -14.5687 4.63598 -4.67637 5.87697 -6.17305 TIMING: 2405000 CPU: 7598.63, 0.00313746/step Wall: 7598.63, 0.00313746/step, 2.26158 hours remaining, 236.054688 MB of memory in use. ENERGY: 2405000 3945.6775 20399.6453 14470.5504 226.2859 -203229.6860 2645.2316 0.0000 0.0000 52003.1138 -109539.1816 298.8626 -161542.2954 -109186.6121 298.7901 -145.4541 -107.5230 761922.1799 5.3733 5.3439 PRESSURE: 2405200 -447.152 146.926 73.3064 146.926 -154.232 302.436 73.3069 302.434 63.8964 GPRESSURE: 2405200 -384.818 119.157 109.854 187.704 -69.0904 322.671 -46.14 275.324 -10.8948 PRESSAVG: 2405200 -32.7839 12.1634 10.1894 12.1634 2.63032 17.8673 10.1893 17.8672 1.29585 GPRESSAVG: 2405200 -33.6939 13.572 11.0805 12.7022 4.8459 19.6142 6.89035 16.739 0.622894 TIMING: 2405200 CPU: 7599.26, 0.00313806/step Wall: 7599.26, 0.00313806/step, 2.26185 hours remaining, 236.054688 MB of memory in use. ENERGY: 2405200 4016.1280 20479.7768 14465.8315 257.5397 -203629.1993 2708.1489 0.0000 0.0000 52157.6426 -109544.1318 299.7507 -161701.7744 -109171.2481 298.6334 -179.1627 -154.9343 760553.7703 -9.6192 -9.4084 PRESSURE: 2405400 94.4922 -78.7674 232.867 -78.7671 -226.882 51.1307 232.866 51.1306 -62.258 GPRESSURE: 2405400 111.98 -59.9063 240.407 -73.0596 -142.037 -40.7349 147.918 30.942 -88.9016 PRESSAVG: 2405400 -4.71596 90.1704 -7.10487 90.1704 -12.1855 25.9101 -7.10491 25.91 -14.3456 GPRESSAVG: 2405400 -4.59154 89.3942 -7.97661 89.9224 -13.5828 24.9582 -6.5637 27.0844 -13.1705 TIMING: 2405400 CPU: 7599.89, 0.00315713/step Wall: 7599.89, 0.00315713/step, 2.27542 hours remaining, 236.054688 MB of memory in use. ENERGY: 2405400 3993.8395 20599.6612 14460.4253 276.2018 -203221.5114 2564.2658 0.0000 0.0000 51986.4912 -109340.6265 298.7671 -161327.1177 -108988.2709 299.1620 -64.8826 -39.6529 761480.8779 -10.4157 -10.4483 PRESSURE: 2405600 -199.935 56.3279 191.919 56.3276 58.715 -26.3789 191.919 -26.3799 -266.303 GPRESSURE: 2405600 -145.271 153.82 183.419 119.807 7.86033 0.612111 252.035 -43.5011 -189.582 PRESSAVG: 2405600 -19.7805 9.9844 29.1149 9.98446 -26.2228 20.7434 29.1149 20.7434 23.3668 GPRESSAVG: 2405600 -20.1502 11.8485 26.8054 9.25527 -25.828 22.398 30.6131 21.0639 23.2136 TIMING: 2405600 CPU: 7600.53, 0.0031621/step Wall: 7600.53, 0.0031621/step, 2.27882 hours remaining, 236.054688 MB of memory in use. ENERGY: 2405600 3937.4110 20575.0552 14497.5716 251.9768 -203042.3887 2390.3831 0.0000 0.0000 52121.1725 -109268.8186 299.5411 -161389.9911 -108910.8900 299.1749 -135.8411 -108.9977 763877.3431 -7.5455 -7.5882 PRESSURE: 2405800 -188.577 237.427 17.5327 237.427 -22.2507 -82.6222 17.5326 -82.6229 -278.346 GPRESSURE: 2405800 -208.195 197.274 122.06 274.246 53.0219 -8.49398 -25.834 -135.715 -254.8 PRESSAVG: 2405800 11.254 4.36062 2.07539 4.36061 11.587 -40.6691 2.07542 -40.6691 -8.33206 GPRESSAVG: 2405800 11.5093 1.74638 4.93499 5.46223 11.4371 -41.4312 3.25918 -41.7788 -8.54425 TIMING: 2405800 CPU: 7601.16, 0.00318434/step Wall: 7601.16, 0.00318434/step, 2.29467 hours remaining, 236.054688 MB of memory in use. ENERGY: 2405800 3984.3969 20304.8584 14488.6807 245.3001 -202779.9550 2225.2579 0.0000 0.0000 52244.2880 -109287.1730 300.2486 -161531.4610 -108927.9683 299.2712 -163.0579 -136.6576 761775.4709 4.8363 4.8007 PRESSURE: 2406000 -41.3983 49.3393 42.3935 49.3401 246.048 287.416 42.3934 287.415 474.394 GPRESSURE: 2406000 61.4924 83.0582 44.4229 79.9094 231.327 212.103 186.7 197.603 482.891 PRESSAVG: 2406000 17.7542 -32.3256 13.7192 -32.3255 -3.31706 -26.118 13.7192 -26.1181 -22.8847 GPRESSAVG: 2406000 19.1828 -31.2171 14.7162 -32.5611 -3.73324 -25.9064 12.9261 -25.7897 -23.4492 TIMING: 2406000 CPU: 7601.79, 0.00312262/step Wall: 7601.79, 0.00312262/step, 2.25002 hours remaining, 236.054688 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: 2406000 3977.5628 20382.6727 14549.0759 250.2291 -203492.4503 3120.7366 0.0000 0.0000 52070.4682 -109141.7049 299.2497 -161212.1731 -108781.5243 299.3921 226.3479 258.5703 763358.9300 -2.8159 -2.6665 PRESSURE: 2406200 16.0473 102.092 -18.3382 102.091 -160.267 -325.377 -18.3381 -325.377 -177.596 GPRESSURE: 2406200 53.968 83.1376 2.88088 22.1475 -88.34 -314.693 -4.41053 -298.415 -210.62 PRESSAVG: 2406200 -1.10169 -43.9776 53.6973 -43.9776 16.3241 28.1732 53.6972 28.1732 3.33344 GPRESSAVG: 2406200 -1.62217 -43.298 52.6788 -44.0633 16.8336 27.4364 54.6048 29.374 3.84105 TIMING: 2406200 CPU: 7602.41, 0.00313194/step Wall: 7602.41, 0.00313194/step, 2.25656 hours remaining, 236.054688 MB of memory in use. ENERGY: 2406200 3998.7463 20412.4199 14514.6652 224.4290 -203536.9763 3018.0714 0.0000 0.0000 52284.8637 -109083.7808 300.4818 -161368.6445 -108716.6479 299.2600 -107.2722 -81.6640 764879.7258 6.1853 6.3508 PRESSURE: 2406400 -67.7831 143.001 -128.925 143 26.5332 248.786 -128.925 248.788 -103.658 GPRESSURE: 2406400 -24.1407 283.34 -87.7243 112.772 110.117 258.606 -132.553 68.1097 -142.607 PRESSAVG: 2406400 7.93443 23.882 18.7095 23.882 -2.54544 -22.3017 18.7096 -22.3018 1.41938 GPRESSAVG: 2406400 8.02929 24.1118 17.7433 20.9138 -1.78243 -21.8125 18.0925 -25.5184 0.600011 TIMING: 2406400 CPU: 7603.04, 0.00312309/step Wall: 7603.04, 0.00312309/step, 2.25001 hours remaining, 236.054688 MB of memory in use. ENERGY: 2406400 4016.1494 20447.7749 14471.5148 248.8605 -203179.5596 2758.5923 0.0000 0.0000 51931.9806 -109304.6871 298.4538 -161236.6677 -108935.2448 298.9957 -48.3027 -18.8770 763787.7317 2.2695 2.2823 PRESSURE: 2406600 144.834 219.38 -67.9729 219.38 -268.326 26.9112 -67.9732 26.9118 182.369 GPRESSURE: 2406600 107.749 121.322 -66.353 210.239 -163.028 23.9414 -0.35547 -29.222 184.263 PRESSAVG: 2406600 20.3404 43.3701 8.11092 43.3701 -17.6327 -63.873 8.11093 -63.873 12.5037 GPRESSAVG: 2406600 20.4993 41.1612 9.69866 46.1964 -18.9259 -65.3243 8.1547 -59.7325 13.2264 TIMING: 2406600 CPU: 7603.67, 0.0031387/step Wall: 7603.67, 0.0031387/step, 2.26109 hours remaining, 236.054688 MB of memory in use. ENERGY: 2406600 4015.9335 20540.0381 14459.3968 256.1199 -203517.7395 2896.1813 0.0000 0.0000 51941.8772 -109408.1928 298.5107 -161350.0700 -109051.0982 298.6015 19.6253 42.9945 762266.1734 5.0705 4.9333 PRESSURE: 2406800 -118.98 50.8459 -103.066 50.845 -5.73559 -121.909 -103.067 -121.908 444.539 GPRESSURE: 2406800 -28.3255 13.7746 -173.238 -55.2668 45.3505 -60.9461 -23.3931 -8.72371 391.379 PRESSAVG: 2406800 -16.2314 10.0401 -11.5706 10.0402 0.981856 -13.1877 -11.5705 -13.1877 -2.69324 GPRESSAVG: 2406800 -16.2532 9.20948 -12.4317 9.21448 0.431444 -12.5412 -11.4748 -14.7389 -1.96441 TIMING: 2406800 CPU: 7604.29, 0.00313077/step Wall: 7604.29, 0.00313077/step, 2.2552 hours remaining, 236.054688 MB of memory in use. ENERGY: 2406800 3978.4796 20627.1302 14371.1833 232.0730 -203463.8451 2814.0401 0.0000 0.0000 52183.7233 -109257.2156 299.9006 -161440.9390 -108890.5849 299.3660 106.6081 136.1347 763387.6703 -5.9809 -5.9287 PRESSURE: 2407000 -34.8457 -79.5402 80.7892 -79.5395 37.2412 -79.9513 80.7899 -79.9508 449.218 GPRESSURE: 2407000 -23.7923 0.322126 75.8666 -29.6908 29.9129 -115.407 27.9199 77.9927 542.817 PRESSAVG: 2407000 21.9903 -18.4343 28.5984 -18.4343 -41.3679 -0.39397 28.5984 -0.393961 -16.2923 GPRESSAVG: 2407000 21.9468 -16.2051 27.5357 -20.0496 -41.3777 -1.09585 28.6075 1.10456 -15.8142 TIMING: 2407000 CPU: 7604.92, 0.00311786/step Wall: 7604.92, 0.00311786/step, 2.24572 hours remaining, 236.054688 MB of memory in use. ENERGY: 2407000 3988.2955 20446.3692 14507.3982 234.4767 -203312.3669 2824.0486 0.0000 0.0000 51939.3280 -109372.4507 298.4960 -161311.7787 -109005.9856 299.5399 150.5379 182.9793 764122.2047 -11.8899 -11.7484 PRESSURE: 2407200 -98.6855 -205.739 207.18 -205.739 -114.489 118.907 207.18 118.906 -367.969 GPRESSURE: 2407200 -146.737 -275.927 249.648 -78.4384 6.40764 109.158 38.2387 230.068 -369.077 PRESSAVG: 2407200 -8.6447 -50.7544 -10.9789 -50.7544 14.7966 -28.5423 -10.9789 -28.5423 -1.41384 GPRESSAVG: 2407200 -9.30746 -51.9543 -8.92009 -48.5512 15.8097 -29.0906 -13.0206 -28.6954 -1.60168 TIMING: 2407200 CPU: 7605.54, 0.00313492/step Wall: 7605.54, 0.00313492/step, 2.25784 hours remaining, 236.054688 MB of memory in use. ENERGY: 2407200 3968.2551 20463.0321 14488.6429 253.8886 -203259.9468 2714.4952 0.0000 0.0000 52017.3168 -109354.3161 298.9442 -161371.6329 -109000.1986 299.3862 -193.7147 -169.8022 764997.7345 1.5793 1.6335 PRESSURE: 2407400 -182.38 145.792 -64.8769 145.792 -287.119 81.595 -64.8774 81.5952 -519.394 GPRESSURE: 2407400 -208.374 -22.9924 -102.709 93.6437 -284.268 13.5053 120.737 52.0345 -423.223 PRESSAVG: 2407400 81.1983 -5.51463 8.31258 -5.51466 -31.5032 -0.0841792 8.3126 -0.0842109 23.7544 GPRESSAVG: 2407400 80.4609 -3.50512 7.7268 -5.37809 -30.9053 1.5612 9.84334 -0.254632 23.0848 TIMING: 2407400 CPU: 7606.17, 0.00312034/step Wall: 7606.17, 0.00312034/step, 2.24716 hours remaining, 236.054688 MB of memory in use. ENERGY: 2407400 4012.8840 20335.6668 14384.3681 253.5850 -203064.5064 2482.8792 0.0000 0.0000 52270.1702 -109324.9532 300.3974 -161595.1233 -108955.7881 299.1828 -329.6310 -305.2884 764649.6379 24.4832 24.2135 PRESSURE: 2407600 -97.7105 103.75 -305.831 103.749 -9.90178 184.186 -305.83 184.185 196.816 GPRESSURE: 2407600 18.7006 129.61 -411.067 27.9162 20.9889 110.962 -173.494 132.21 150.623 PRESSAVG: 2407600 16.553 -15.5851 -28.6333 -15.5851 19.5321 -24.0621 -28.6334 -24.0621 8.80941 GPRESSAVG: 2407600 17.0684 -16.3916 -29.9135 -16.6807 18.7917 -24.9993 -27.5168 -24.9229 9.44059 TIMING: 2407600 CPU: 7606.79, 0.00312906/step Wall: 7606.79, 0.00312906/step, 2.25327 hours remaining, 236.054688 MB of memory in use. ENERGY: 2407600 3883.5736 20590.5435 14388.6751 243.2643 -203693.1233 3006.4946 0.0000 0.0000 52303.3120 -109277.2601 300.5879 -161580.5721 -108916.2745 299.4641 29.7345 63.4376 761923.3185 14.9648 15.1002 PRESSURE: 2407800 -35.9327 125.173 102.383 125.173 -11.6118 -9.57889 102.383 -9.57876 222.259 GPRESSURE: 2407800 15.2171 173.502 89.541 139.366 81.2895 38.6866 121.073 -18.2558 169.868 PRESSAVG: 2407800 39.688 32.303 30.5585 32.3029 -4.67301 28.5809 30.5586 28.5809 -6.05874 GPRESSAVG: 2407800 39.6872 32.5841 31.0798 33.9658 -5.60824 27.7635 28.6223 27.67 -5.19154 TIMING: 2407800 CPU: 7607.42, 0.00313837/step Wall: 7607.42, 0.00313837/step, 2.2598 hours remaining, 236.054688 MB of memory in use. ENERGY: 2407800 4017.6939 20596.7824 14464.4682 245.9486 -203216.8244 2664.6217 0.0000 0.0000 51839.8313 -109387.4783 297.9242 -161227.3095 -109028.5124 299.5222 58.2381 88.7915 761819.0386 9.6521 9.6291 PRESSURE: 2408000 -40.9053 45.6169 -37.1436 45.6166 -228.132 30.2827 -37.1428 30.2836 -351.634 GPRESSURE: 2408000 54.0035 100.488 82.485 136.33 -237.176 23.9984 -77.6659 2.87013 -358.388 PRESSAVG: 2408000 -25.1738 9.03109 27.951 9.03112 54.9334 28.433 27.951 28.4331 -13.7641 GPRESSAVG: 2408000 -26.1398 6.05889 27.7464 10.0126 55.6374 29.0476 26.984 29.0118 -13.4164 TIMING: 2408000 CPU: 7608.05, 0.00313518/step Wall: 7608.05, 0.00313519/step, 2.25733 hours remaining, 236.054688 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: 2408000 4003.1973 20456.0140 14442.0439 251.9302 -202928.9877 2333.6421 0.0000 0.0000 51949.1358 -109493.0245 298.5524 -161442.1603 -109134.4579 298.8759 -206.8907 -180.5204 761068.7074 5.3318 5.3604 PRESSURE: 2408200 170.476 -12.6344 -39.3599 -12.635 94.0579 -25.8104 -39.3592 -25.8105 278.402 GPRESSURE: 2408200 250.327 -77.0235 33.1968 -100.911 39.9237 -8.68497 33.9556 -42.0511 322.124 PRESSAVG: 2408200 16.3632 17.0232 -15.7241 17.0231 48.6987 73.0833 -15.7241 73.0833 1.26699 GPRESSAVG: 2408200 17.9256 20.3625 -15.8601 15.1964 47.3735 73.1866 -13.2928 73.1058 1.16304 TIMING: 2408200 CPU: 7608.68, 0.00314338/step Wall: 7608.68, 0.00314338/step, 2.26306 hours remaining, 236.054688 MB of memory in use. ENERGY: 2408200 3980.3420 20472.7509 14423.1129 233.5327 -203183.8637 2552.9476 0.0000 0.0000 52050.8814 -109470.2963 299.1371 -161521.1777 -109097.2239 298.5314 180.9787 204.1251 761392.2845 22.1096 22.1540 LDB: ============= START OF LOAD BALANCING ============== 7621.21 LDB: ============== END OF LOAD BALANCING =============== 7621.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7621.21 LDB: ============= START OF LOAD BALANCING ============== 7621.52 LDB: Largest compute 7026 load 0.031793 is 16.3% of average load 0.195631 LDB: Average compute 0.004388 is 2.2% of average load 0.195631 LDB: TIME 7621.53 LOAD: AVG 0.195631 MAX 0.215647 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.008 MB LDB: TIME 7621.53 LOAD: AVG 0.195631 MAX 0.215647 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.008 MB LDB: TIME 7621.53 LOAD: AVG 0.195631 MAX 0.215647 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.008 MB LDB: ============== END OF LOAD BALANCING =============== 7621.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7621.53 PRESSURE: 2408400 101.758 -241.002 -20.5584 -241.002 -154.799 -16.5437 -20.5582 -16.5437 -227.923 GPRESSURE: 2408400 77.8217 -253.505 -119.961 -258.886 -69.1829 1.83862 10.9222 26.2245 -220.805 PRESSAVG: 2408400 25.422 -20.0363 5.22358 -20.0362 -43.095 40.8875 5.22359 40.8874 -6.70462 GPRESSAVG: 2408400 24.7763 -21.7207 6.23461 -18.682 -42.0701 41.426 6.32327 39.7616 -6.92541 TIMING: 2408400 CPU: 7609.32, 0.00321151/step Wall: 7609.32, 0.00321151/step, 2.31193 hours remaining, 235.398438 MB of memory in use. ENERGY: 2408400 4017.7194 20478.8638 14471.5442 250.1697 -203404.0654 2582.6342 0.0000 0.0000 52112.6964 -109490.4377 299.4924 -161603.1341 -109112.7489 298.5324 -93.6548 -70.7222 761606.2089 -8.1258 -8.0731 PRESSURE: 2408600 -92.3478 58.6196 290.263 58.6191 241.316 394.237 290.264 394.237 112.707 GPRESSURE: 2408600 -40.6358 22.229 236.998 86.7516 322.037 396.709 213.294 243.925 56.5605 PRESSAVG: 2408600 -27.6115 -7.91822 89.0373 -7.91814 52.5154 34.504 89.0373 34.5041 24.7449 GPRESSAVG: 2408600 -28.3985 -6.94188 87.3817 -7.97864 54.1912 34.1924 87.1143 35.7053 23.4535 TIMING: 2408600 CPU: 7609.95, 0.00313833/step Wall: 7609.95, 0.00313833/step, 2.25908 hours remaining, 235.398438 MB of memory in use. ENERGY: 2408600 3992.5248 20567.8424 14429.8669 236.6321 -203553.5451 2871.9346 0.0000 0.0000 52091.8867 -109362.8576 299.3728 -161454.7443 -109005.6712 299.4564 87.2249 112.6539 762693.6952 16.5496 16.4154 PRESSURE: 2408800 -12.2943 -37.8345 99.2671 -37.8345 -380.268 -57.0398 99.2674 -57.0411 -61.6437 GPRESSURE: 2408800 -44.7379 -104.628 94.0136 129.4 -298.25 -29.2035 -33.1407 -23.4482 -19.306 PRESSAVG: 2408800 4.99952 -20.2741 58.0237 -20.274 -39.5236 43.1155 58.0236 43.1156 -5.78988 GPRESSAVG: 2408800 4.60073 -19.5309 58.8445 -19.9201 -39.8103 43.4485 58.2649 41.8934 -4.81714 TIMING: 2408800 CPU: 7610.58, 0.00315444/step Wall: 7610.58, 0.00315443/step, 2.27049 hours remaining, 235.398438 MB of memory in use. ENERGY: 2408800 3960.2905 20550.9379 14391.8145 255.0203 -203019.6625 2561.7339 0.0000 0.0000 51827.8614 -109472.0040 297.8554 -161299.8654 -109116.9982 299.3343 -151.4020 -120.7647 762781.7458 -13.4380 -13.3422 PRESSURE: 2409000 146.559 35.9769 168.083 35.9769 60.5882 63.7315 168.082 63.7324 254.082 GPRESSURE: 2409000 186.025 101.715 106.306 76.4262 19.1841 36.2376 58.3119 9.02549 351.401 PRESSAVG: 2409000 0.595508 34.7855 36.097 34.7855 -9.53394 14.6054 36.097 14.6054 7.449 GPRESSAVG: 2409000 1.68536 34.6834 35.6062 34.8936 -10.8726 14.7316 36.2719 16.6273 7.93284 TIMING: 2409000 CPU: 7611.21, 0.00315763/step Wall: 7611.21, 0.00315763/step, 2.27262 hours remaining, 235.398438 MB of memory in use. ENERGY: 2409000 3995.7508 20571.6517 14455.1573 253.6404 -203522.8204 2835.7699 0.0000 0.0000 52083.9973 -109326.8530 299.3274 -161410.8503 -108969.0971 299.4155 153.7428 185.5368 761015.1113 -0.4965 -0.4181 PRESSURE: 2409200 -23.0344 28.0082 115.132 28.008 86.12 -48.9822 115.131 -48.9812 184.685 GPRESSURE: 2409200 105.297 -43.4995 71.0194 43.1802 69.9514 -78.0393 144.967 -153.718 131.439 PRESSAVG: 2409200 -5.45147 6.98318 9.47358 6.98313 16.3024 40.375 9.47354 40.375 -1.46442 GPRESSAVG: 2409200 -5.32417 4.99618 9.3072 7.84622 17.0469 39.4188 10.8203 39.6724 -2.05964 TIMING: 2409200 CPU: 7611.84, 0.00314589/step Wall: 7611.84, 0.00314589/step, 2.26399 hours remaining, 235.398438 MB of memory in use. ENERGY: 2409200 3922.3843 20563.9091 14493.8933 248.8417 -203295.0753 2738.2853 0.0000 0.0000 52103.8132 -109223.9484 299.4413 -161327.7616 -108855.7300 299.5720 82.5903 102.2290 762644.7112 3.1288 3.2210 PRESSURE: 2409400 -261.043 208.294 131.683 208.294 137.633 74.524 131.683 74.5249 -6.72127 GPRESSURE: 2409400 -160.471 74.6092 76.6577 274.601 104.44 -13.7457 267.568 24.4866 32.8648 PRESSAVG: 2409400 58.6862 -18.9194 11.6483 -18.9195 -50.1264 97.7536 11.6482 97.7536 -0.253398 GPRESSAVG: 2409400 57.1063 -20.1323 12.8993 -20.0343 -50.4071 98.7358 9.19475 95.4563 1.28279 TIMING: 2409400 CPU: 7612.47, 0.00315364/step Wall: 7612.47, 0.00315364/step, 2.2694 hours remaining, 235.398438 MB of memory in use. ENERGY: 2409400 4034.5494 20353.1160 14403.6883 248.3398 -203338.1163 2567.7957 0.0000 0.0000 52498.4332 -109232.1938 301.7092 -161730.6271 -108862.8498 299.3937 -43.3772 -7.7220 761631.1936 2.7688 2.6607 PRESSURE: 2409600 -396.178 -115.222 -7.1335 -115.221 44.2251 99.9136 -7.13402 99.9132 -29.0165 GPRESSURE: 2409600 -298.045 -13.1689 -126.86 -88.7405 85.602 80.26 -110.666 128.23 -90.8455 PRESSAVG: 2409600 -68.8789 1.24507 -3.14403 1.24506 68.0321 48.6581 -3.144 48.658 -3.64716 GPRESSAVG: 2409600 -68.6431 4.08735 -3.18727 1.49733 67.694 48.8574 -2.01894 48.9442 -2.92753 TIMING: 2409600 CPU: 7613.1, 0.00315476/step Wall: 7613.1, 0.00315476/step, 2.27003 hours remaining, 235.398438 MB of memory in use. ENERGY: 2409600 3998.1562 20456.4424 14383.2180 244.8890 -203162.6130 2489.3007 0.0000 0.0000 52172.7313 -109417.8754 299.8374 -161590.6067 -109050.0452 299.6891 -126.9898 -101.0963 761241.3919 -1.4980 -1.2922 PRESSURE: 2409800 -71.2052 -68.5479 -28.9429 -68.5474 -280.439 -162.013 -28.9428 -162.012 46.2145 GPRESSURE: 2409800 -97.7042 -58.9396 -22.1153 53.0954 -195.986 -143.645 -16.1344 -86.7629 58.843 PRESSAVG: 2409800 -58.887 -13.4859 -9.91289 -13.4859 47.8931 19.9845 -9.91293 19.9845 2.46077 GPRESSAVG: 2409800 -58.1069 -14.0943 -10.8793 -12.5338 48.5893 19.43 -8.87988 20.8594 0.572278 TIMING: 2409800 CPU: 7613.73, 0.00315641/step Wall: 7613.73, 0.00315641/step, 2.27104 hours remaining, 235.398438 MB of memory in use. ENERGY: 2409800 3972.2908 20452.9511 14431.7814 249.1734 -202884.1374 2403.2215 0.0000 0.0000 52023.5541 -109351.1651 298.9801 -161374.7191 -108986.3548 299.4877 -101.8097 -78.2825 762625.2870 -2.8444 -2.9818 PRESSURE: 2410000 138.451 16.8133 -28.0648 16.8136 40.3869 -223.18 -28.0642 -223.181 -296.38 GPRESSURE: 2410000 171.32 3.3128 50.4664 15.1049 21.0488 -176.906 -71.4376 -282.962 -224.048 PRESSAVG: 2410000 -31.2579 28.8421 -4.08465 28.8421 25.1371 -2.53306 -4.08462 -2.53303 -5.71837 GPRESSAVG: 2410000 -32.1076 28.2407 -3.48336 26.3503 25.0962 -3.18154 -6.33245 -3.12842 -4.88855 TIMING: 2410000 CPU: 7614.36, 0.00314361/step Wall: 7614.36, 0.00314361/step, 2.26166 hours remaining, 235.398438 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: 2410000 4014.8437 20282.7784 14473.7846 257.2927 -202952.2723 2446.8260 0.0000 0.0000 52229.9807 -109246.7662 300.1664 -161476.7469 -108886.2607 299.7910 -39.1806 -10.5598 761942.7708 -3.9464 -3.9666 PRESSURE: 2410200 46.186 210.552 167.456 210.551 3.60657 244.371 167.456 244.372 -387.665 GPRESSURE: 2410200 93.7186 253.535 221.454 100.059 50.8173 289.667 16.9952 166.873 -397.684 PRESSAVG: 2410200 -33.7316 -67.1839 7.67279 -67.1839 -7.94772 47.9592 7.67284 47.9592 -10.6531 GPRESSAVG: 2410200 -33.8282 -67.2593 6.72294 -67.7976 -8.09442 48.2308 7.66556 48.0845 -10.1283 TIMING: 2410200 CPU: 7614.99, 0.00315125/step Wall: 7614.99, 0.00315125/step, 2.26698 hours remaining, 235.398438 MB of memory in use. ENERGY: 2410200 4020.7664 20506.2825 14401.5187 246.6391 -203364.9943 2652.2903 0.0000 0.0000 52205.8482 -109331.6491 300.0277 -161537.4973 -108962.2113 299.4202 -112.6242 -84.3827 758931.1788 -17.4442 -17.3503 PRESSURE: 2410400 372.475 -43.2767 -17.3839 -43.2769 85.5132 -122.147 -17.3846 -122.147 -73.7836 GPRESSURE: 2410400 240.692 -28.7048 -45.6647 37.3662 233.917 -155.853 44.6579 -95.5387 -4.63937 PRESSAVG: 2410400 12.9839 -21.9068 -12.5488 -21.9068 39.106 44.1109 -12.5488 44.1108 5.44395 GPRESSAVG: 2410400 12.589 -21.5978 -10.7793 -21.5962 39.8619 45.4522 -10.4404 42.3149 5.49309 TIMING: 2410400 CPU: 7615.62, 0.00315465/step Wall: 7615.62, 0.00315465/step, 2.26924 hours remaining, 235.398438 MB of memory in use. ENERGY: 2410400 3980.6511 20574.1343 14442.9156 243.0145 -203262.6671 2603.6917 0.0000 0.0000 52308.1917 -109110.0683 300.6159 -161418.2600 -108752.3465 299.7844 128.0682 156.6566 760932.4312 19.1780 19.3146 PRESSURE: 2410600 -3.25374 -116.63 -204.396 -116.63 -24.3635 31.9048 -204.397 31.9031 59.7083 GPRESSURE: 2410600 53.1478 -79.4167 -155.841 1.70961 -13.4809 -66.7717 -94.9088 54.2008 77.7101 PRESSAVG: 2410600 -15.7682 -17.4597 23.9285 -17.4597 19.84 28.881 23.9285 28.8809 -15.7778 GPRESSAVG: 2410600 -15.3353 -15.1728 23.9644 -18.8222 20.1337 25.2732 22.0391 33.0585 -15.9405 TIMING: 2410600 CPU: 7616.25, 0.00315269/step Wall: 7616.25, 0.00315269/step, 2.26766 hours remaining, 235.398438 MB of memory in use. ENERGY: 2410600 3948.6033 20573.9488 14400.9943 242.4709 -203173.2321 2656.6781 0.0000 0.0000 52256.1693 -109094.3673 300.3169 -161350.5366 -108738.3459 300.1319 10.6970 39.1257 761960.0319 -3.9020 -3.7140 PRESSURE: 2410800 54.2435 -205.329 -11.5061 -205.329 -130.945 55.7994 -11.5066 55.7975 213.858 GPRESSURE: 2410800 123.809 -263.284 -86.3534 -158.177 -65.3656 79.6577 -47.9313 -55.7924 175.416 PRESSAVG: 2410800 7.0923 -17.3757 5.76856 -17.3756 10.4577 -9.62156 5.7686 -9.62159 19.4141 GPRESSAVG: 2410800 8.45658 -20.9056 4.28543 -14.9227 9.03819 -6.29988 6.98669 -13.0538 19.1896 TIMING: 2410800 CPU: 7616.88, 0.00315793/step Wall: 7616.88, 0.00315793/step, 2.27126 hours remaining, 235.398438 MB of memory in use. ENERGY: 2410800 4034.5738 20652.1429 14437.6614 257.4991 -203065.9878 2658.7713 0.0000 0.0000 52162.8448 -108862.4945 299.7806 -161025.3392 -108508.9812 300.1289 45.7190 77.9533 761508.7736 12.3214 12.2281 PRESSURE: 2411000 251.64 -110.577 -175.185 -110.576 39.3729 174.363 -175.185 174.364 17.0842 GPRESSURE: 2411000 282.62 -88.0069 -187.517 -144.72 44.7753 225.898 -22.8529 141.45 68.9469 PRESSAVG: 2411000 -4.24572 -82.3783 -15.1102 -82.3784 -15.4217 24.0708 -15.1102 24.0707 1.67142 GPRESSAVG: 2411000 -4.78095 -81.586 -15.892 -81.7076 -14.6774 24.3986 -15.9721 23.5277 1.07395 TIMING: 2411000 CPU: 7617.51, 0.00313942/step Wall: 7617.51, 0.00313942/step, 2.25777 hours remaining, 235.398438 MB of memory in use. ENERGY: 2411000 3944.1731 20596.9420 14407.8269 258.8504 -203038.7892 2592.4908 0.0000 0.0000 52332.8528 -108905.6532 300.7576 -161238.5059 -108524.1185 300.6502 102.6989 132.1142 761708.8065 -5.9987 -6.1281 PRESSURE: 2411200 -612.605 56.6263 -59.6703 56.6265 -223.308 16.6055 -59.67 16.6063 -311.652 GPRESSURE: 2411200 -601.383 -53.9494 -12.0747 195.146 -180.112 19.7766 -35.591 84.0084 -289.096 PRESSAVG: 2411200 -1.37782 -42.8101 0.191511 -42.8101 -4.43923 32.8444 0.191601 32.8443 11.7998 GPRESSAVG: 2411200 -2.337 -40.7021 2.38933 -43.8788 -3.31895 33.6541 0.437335 34.8488 11.6468 TIMING: 2411200 CPU: 7618.14, 0.00315873/step Wall: 7618.14, 0.00315873/step, 2.27148 hours remaining, 235.398438 MB of memory in use. ENERGY: 2411200 4124.6536 20556.3888 14490.9245 228.8272 -202855.6731 2288.0346 0.0000 0.0000 52300.5641 -108866.2804 300.5721 -161166.8444 -108494.9243 300.1250 -382.5218 -356.8637 761573.1825 1.9942 1.9970 PRESSURE: 2411400 -269.396 -107.411 123.439 -107.411 -215.643 -75.0317 123.44 -75.0319 -195.722 GPRESSURE: 2411400 -139.081 -71.8159 158.877 -166.412 -246.37 -119.352 48.2309 61.8906 -213.926 PRESSAVG: 2411400 -23.8157 0.0644136 41.5453 0.064391 -38.2186 20.1515 41.5452 20.1515 -22.5239 GPRESSAVG: 2411400 -22.7783 -0.944788 38.8757 -2.90291 -39.3503 17.9506 42.6799 19.8169 -21.8869 TIMING: 2411400 CPU: 7618.77, 0.00314799/step Wall: 7618.77, 0.00314799/step, 2.26358 hours remaining, 235.398438 MB of memory in use. ENERGY: 2411400 4007.4469 20641.0253 14465.4165 242.9855 -203129.9744 2572.8006 0.0000 0.0000 52177.1946 -109023.1049 299.8631 -161200.2996 -108656.0891 300.7138 -226.9205 -199.7922 762989.1977 -28.1861 -28.0051 PRESSURE: 2411600 158.045 87.7086 81.0587 87.7084 -28.5754 -131.983 81.0583 -131.982 -9.23375 GPRESSURE: 2411600 266.724 14.8504 187.013 -87.3672 0.372201 -144.417 35.4973 -32.5453 -56.8498 PRESSAVG: 2411600 4.68645 21.7518 -15.0805 21.7517 -32.0263 -3.9042 -15.0805 -3.90414 24.95 GPRESSAVG: 2411600 5.14882 20.1008 -14.4493 23.6397 -32.0428 -3.31261 -13.7741 -3.65722 24.9266 TIMING: 2411600 CPU: 7619.4, 0.00315039/step Wall: 7619.4, 0.00315039/step, 2.26513 hours remaining, 235.398438 MB of memory in use. ENERGY: 2411600 3907.0183 20479.4302 14525.9206 264.7706 -202802.8229 2533.6939 0.0000 0.0000 52188.3949 -108903.5945 299.9274 -161091.9894 -108530.8309 300.2100 40.0785 70.0821 761698.7441 -0.7966 -0.6558 PRESSURE: 2411800 -244.96 33.251 -199.911 33.2514 -226.79 236.899 -199.911 236.9 124.101 GPRESSURE: 2411800 -126.94 -30.213 -252.638 -1.05613 -189.882 167.845 -181.109 267.691 48.0728 PRESSAVG: 2411800 -8.07655 -39.7932 -27.0007 -39.7933 -0.646789 13.2477 -27.0006 13.2477 11.966 GPRESSAVG: 2411800 -8.67941 -40.6468 -27.3889 -38.2346 0.799982 13.6762 -29.7628 13.4862 11.3547 TIMING: 2411800 CPU: 7620.03, 0.00313563/step Wall: 7620.03, 0.00313563/step, 2.25435 hours remaining, 235.398438 MB of memory in use. ENERGY: 2411800 3991.2552 20534.9140 14512.4528 231.8867 -203001.1366 2383.2210 0.0000 0.0000 52384.1497 -108963.2574 301.0524 -161347.4070 -108593.0244 299.9169 -115.8832 -89.5830 762242.4792 1.0809 1.1584 PRESSURE: 2412000 131.742 91.0581 -26.5763 91.0585 33.1824 70.5345 -26.5768 70.5356 155.637 GPRESSURE: 2412000 59.4766 80.2441 -31.2636 164.453 138.249 48.4934 23.879 52.1623 205.81 PRESSAVG: 2412000 -8.75109 -4.88189 -59.6136 -4.88177 -1.58527 47.2925 -59.6136 47.2925 4.21612 GPRESSAVG: 2412000 -8.73679 -2.61018 -57.1437 -6.08565 -2.68098 45.3314 -61.6824 46.46 5.61033 TIMING: 2412000 CPU: 7620.65, 0.0031209/step Wall: 7620.65, 0.0031209/step, 2.24358 hours remaining, 235.398438 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: 2412000 3973.2222 20705.3839 14438.6030 255.9211 -202931.7506 2526.7404 0.0000 0.0000 52046.3090 -108985.5711 299.1109 -161031.8801 -108632.7930 299.8320 106.8536 134.5117 762730.1173 -2.0401 -1.9358 PRESSURE: 2412200 3.34771 -80.5022 390.112 -80.5028 192.386 -187.652 390.112 -187.651 -296.13 GPRESSURE: 2412200 66.2122 -129.97 441.469 -78.6586 188.812 -139.452 342.347 -161.041 -277.892 PRESSAVG: 2412200 37.8836 -17.6548 69.2477 -17.6548 -14.6335 2.36243 69.2477 2.36244 12.2806 GPRESSAVG: 2412200 38.2596 -19.8313 67.7267 -15.9008 -14.9728 3.26749 72.5427 3.10926 12.2396 TIMING: 2412200 CPU: 7621.28, 0.00311866/step Wall: 7621.28, 0.00311866/step, 2.2418 hours remaining, 235.398438 MB of memory in use. ENERGY: 2412200 4016.8727 20637.1236 14427.9236 252.9032 -202776.1105 2513.1453 0.0000 0.0000 52085.6720 -108842.4700 299.3371 -160928.1420 -108485.2247 299.7620 -33.4654 -7.6227 762011.9372 11.8436 11.8421 LDB: ============= START OF LOAD BALANCING ============== 7633.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7633.81 LDB: =============== DONE WITH MIGRATION ================ 7633.81 LDB: ============= START OF LOAD BALANCING ============== 7634.12 LDB: Largest compute 7077 load 0.032239 is 16.5% of average load 0.195585 LDB: Average compute 0.004401 is 2.3% of average load 0.195585 LDB: TIME 7634.13 LOAD: AVG 0.195585 MAX 0.220053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 7634.13 LOAD: AVG 0.195585 MAX 0.220053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 7634.13 LOAD: AVG 0.195585 MAX 0.218085 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 7634.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7634.13 PRESSURE: 2412400 201.701 -58.9884 -149.664 -58.9878 272.822 192.267 -149.664 192.267 -376.114 GPRESSURE: 2412400 216.328 78.2023 -182.957 -131.914 311.743 56.1771 -226.163 181.421 -346.446 PRESSAVG: 2412400 -12.7616 -8.83325 1.62045 -8.83326 28.1213 -35.2068 1.62048 -35.2069 5.98206 GPRESSAVG: 2412400 -12.824 -8.35055 3.21502 -8.73937 28.0197 -34.6386 -0.589945 -35.9661 6.45372 TIMING: 2412400 CPU: 7621.92, 0.00320069/step Wall: 7621.92, 0.00320069/step, 2.30059 hours remaining, 235.199219 MB of memory in use. ENERGY: 2412400 4039.6851 20581.3276 14479.5662 249.4603 -203126.9314 2698.3536 0.0000 0.0000 52119.8365 -108958.7020 299.5334 -161078.5385 -108594.3809 300.3094 32.8028 60.5418 759772.0438 7.1139 7.2165 PRESSURE: 2412600 301.369 105.727 76.1237 105.727 476.724 181.294 76.125 181.293 -24.0464 GPRESSURE: 2412600 270.138 -17.3595 73.7859 61.5059 580.091 123.827 92.7758 88.3197 -25.7922 PRESSAVG: 2412600 -35.8288 27.8232 34.8176 27.8231 44.9409 0.191659 34.8177 0.191714 -12.9301 GPRESSAVG: 2412600 -34.2216 27.7043 33.9788 26.9482 44.5592 -0.393249 37.0193 0.667284 -14.2921 TIMING: 2412600 CPU: 7622.55, 0.0031465/step Wall: 7622.55, 0.0031465/step, 2.26146 hours remaining, 235.199219 MB of memory in use. ENERGY: 2412600 3946.3577 20513.8757 14430.7250 239.3367 -203286.0572 2820.9587 0.0000 0.0000 52197.3616 -109137.4417 299.9790 -161334.8033 -108769.4399 299.7791 251.3487 274.8122 761586.3099 -1.2727 -1.3182 PRESSURE: 2412800 -6.25778 292.609 113.325 292.609 -298.899 -247.004 113.326 -247.004 117.961 GPRESSURE: 2412800 -32.4332 129.849 55.5818 307.72 -193.291 -226.292 114.231 -319.575 130.105 PRESSAVG: 2412800 -28.2023 -2.66953 31.8962 -2.66951 58.4483 -15.1938 31.8962 -15.1938 20.9559 GPRESSAVG: 2412800 -28.9769 -3.54671 31.2177 -1.39005 58.5955 -14.6659 32.9301 -16.5213 22.065 TIMING: 2412800 CPU: 7623.18, 0.0031659/step Wall: 7623.18, 0.0031659/step, 2.27523 hours remaining, 235.359375 MB of memory in use. ENERGY: 2412800 4034.8099 20720.3985 14441.2612 241.6101 -203353.2227 2625.9866 0.0000 0.0000 52030.4539 -109258.7025 299.0197 -161289.1564 -108898.5095 300.1426 -62.3988 -31.8729 762318.3079 17.0673 17.2279 PRESSURE: 2413000 -248.317 42.7209 -23.3269 42.7205 -104.927 171.497 -23.3269 171.498 -8.26869 GPRESSURE: 2413000 -213.539 -43.7375 -60.5271 -54.3671 -43.1246 195.264 -31.363 150.617 -7.88068 PRESSAVG: 2413000 -16.7618 -33.3981 33.7343 -33.398 32.8789 20.9377 33.7343 20.9377 19.3431 GPRESSAVG: 2413000 -17.3129 -31.7938 34.2517 -34.4678 33.5211 20.4608 32.1379 21.8204 19.3488 TIMING: 2413000 CPU: 7623.81, 0.0031683/step Wall: 7623.81, 0.0031683/step, 2.27678 hours remaining, 235.359375 MB of memory in use. ENERGY: 2413000 3937.0383 20510.8629 14523.2776 257.7559 -203194.1993 2536.3013 0.0000 0.0000 52035.3701 -109393.5933 299.0480 -161428.9634 -109026.0326 299.4642 -120.5044 -88.1814 763123.9322 11.8200 11.8524 PRESSURE: 2413200 310.524 -115.295 98.2299 -115.295 182.705 46.2252 98.2304 46.2255 -95.3317 GPRESSURE: 2413200 279.506 -34.1799 5.98332 46.1466 230.024 100.207 33.452 -18.5102 -41.2615 PRESSAVG: 2413200 -23.416 -21.878 -27.3239 -21.8781 35.786 10.6447 -27.3238 10.6447 -26.0761 GPRESSAVG: 2413200 -21.6413 -23.6239 -27.0195 -20.638 35.3752 9.70096 -28.5334 11.3953 -27.4017 TIMING: 2413200 CPU: 7624.45, 0.0031687/step Wall: 7624.45, 0.0031687/step, 2.27689 hours remaining, 235.359375 MB of memory in use. ENERGY: 2413200 4006.0969 20641.9256 14497.1353 249.0675 -203291.8469 2490.6362 0.0000 0.0000 52164.6975 -109242.2880 299.7912 -161406.9855 -108883.4091 299.4629 132.6326 156.0895 760806.2621 -4.5687 -4.5559 PRESSURE: 2413400 -279.54 45.3204 -5.28271 45.3204 -141.909 -103.188 -5.28436 -103.187 84.1596 GPRESSURE: 2413400 -204.683 26.2672 -118.297 -16.4423 -119.546 -83.5399 -101.7 -160.384 49.7941 PRESSAVG: 2413400 -19.9447 -76.3448 -8.48689 -76.3448 -26.3238 13.4495 -8.48678 13.4496 -3.3617 GPRESSAVG: 2413400 -21.2578 -75.7721 -9.13106 -79.1931 -26.4079 13.6139 -6.75766 13.5238 -2.20309 TIMING: 2413400 CPU: 7625.08, 0.00314526/step Wall: 7625.08, 0.00314526/step, 2.25987 hours remaining, 235.359375 MB of memory in use. ENERGY: 2413400 4036.2087 20629.9169 14487.8359 219.7822 -202952.4557 2247.4920 0.0000 0.0000 52118.2906 -109212.9294 299.5245 -161331.2200 -108850.9284 300.0508 -112.4296 -91.4783 762151.1567 -16.5434 -16.6229 PRESSURE: 2413600 243.285 -130.086 -5.55399 -130.087 116.162 -204.727 -5.55445 -204.726 615.27 GPRESSURE: 2413600 313.407 -160.433 -31.538 -86.8649 194.804 -172.998 73.7351 -149.063 554.015 PRESSAVG: 2413600 64.9724 32.1236 27.735 32.1235 25.8615 -8.67839 27.735 -8.67843 7.73239 GPRESSAVG: 2413600 66.5706 31.8021 28.6967 35.2093 26.3917 -8.71094 26.9805 -10.1888 5.88399 TIMING: 2413600 CPU: 7625.7, 0.00313384/step Wall: 7625.7, 0.00313384/step, 2.25149 hours remaining, 235.359375 MB of memory in use. ENERGY: 2413600 3927.5664 20534.9561 14453.8471 234.3657 -203188.2062 2662.1677 0.0000 0.0000 52176.7511 -109198.5521 299.8605 -161375.3031 -108823.9753 299.9071 324.9057 354.0752 761635.1450 32.8554 32.9488 PRESSURE: 2413800 -47.8946 119.464 88.9707 119.463 -96.1298 -170.691 88.971 -170.691 -175.157 GPRESSURE: 2413800 -44.4767 113.467 87.6617 90.8411 2.74317 -119.293 92.6913 -121.423 -179.767 PRESSAVG: 2413800 5.46914 -42.7381 19.0975 -42.738 13.9991 -21.0775 19.0975 -21.0776 -11.1072 GPRESSAVG: 2413800 3.74584 -41.8147 18.9764 -45.9396 13.5051 -20.4245 21.1531 -19.5758 -9.37777 TIMING: 2413800 CPU: 7626.33, 0.00313567/step Wall: 7626.33, 0.00313567/step, 2.25263 hours remaining, 235.375000 MB of memory in use. ENERGY: 2413800 4064.0230 20540.1448 14433.7063 255.0988 -203146.0094 2511.7591 0.0000 0.0000 52338.3113 -109002.9661 300.7890 -161341.2774 -108635.4513 300.2847 -106.3939 -73.8335 763068.9915 2.7870 2.6244 PRESSURE: 2414000 21.9018 181.365 5.14643 181.365 -558.499 -10.5756 5.14531 -10.5753 -325.592 GPRESSURE: 2414000 -29.1599 79.9394 43.977 95.9128 -464.197 -30.4388 -19.1463 -26.8421 -284.412 PRESSAVG: 2414000 -9.1884 -7.0769 -37.9353 -7.07686 -3.8613 -19.7927 -37.9353 -19.7926 -1.24657 GPRESSAVG: 2414000 -8.78075 -8.97483 -37.2183 -4.89833 -3.52191 -20.9463 -40.1081 -20.8434 -1.73786 TIMING: 2414000 CPU: 7626.96, 0.00314049/step Wall: 7626.96, 0.00314049/step, 2.25592 hours remaining, 235.375000 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: 2414000 4023.3368 20698.6454 14440.0637 248.8656 -202728.5002 2305.3064 0.0000 0.0000 52124.5250 -108887.7572 299.5604 -161012.2822 -108527.8555 300.2975 -287.3964 -259.2560 763564.3310 -4.7654 -4.6802 PRESSURE: 2414200 -175.182 -55.5187 -195.054 -55.5191 -78.9805 -85.6694 -195.055 -85.6692 288.388 GPRESSURE: 2414200 -179.596 -74.1354 -125.501 16.8911 -1.40158 -38.6607 -254.323 9.92825 287.083 PRESSAVG: 2414200 51.426 -5.02565 7.70575 -5.02575 18.7985 -11.5503 7.70568 -11.5503 10.2598 GPRESSAVG: 2414200 52.2149 -3.84046 6.6441 -5.34581 17.8049 -8.92275 8.52257 -10.6304 10.4035 TIMING: 2414200 CPU: 7627.58, 0.00312799/step Wall: 7627.58, 0.00312799/step, 2.24677 hours remaining, 235.375000 MB of memory in use. ENERGY: 2414200 3973.8042 20533.8692 14421.1402 234.9371 -203197.8648 2721.0892 0.0000 0.0000 52047.6875 -109265.3374 299.1188 -161313.0249 -108907.6074 299.8430 11.4084 35.3618 762233.3087 26.8281 26.8078 PRESSURE: 2414400 36.396 -155.689 55.4912 -155.689 -70.2911 64.2413 55.4909 64.2409 -59.0369 GPRESSURE: 2414400 15.3101 -100.063 65.6501 -60.8847 -31.0223 61.1382 77.6453 33.8554 19.6723 PRESSAVG: 2414400 -24.0733 -3.1616 20.6331 -3.16166 30.468 -13.5442 20.6332 -13.5442 8.97611 GPRESSAVG: 2414400 -25.0813 -1.73182 21.0465 -3.59791 31.5863 -14.7769 19.6145 -13.0333 8.55968 TIMING: 2414400 CPU: 7628.21, 0.00313998/step Wall: 7628.21, 0.00313998/step, 2.2552 hours remaining, 235.375000 MB of memory in use. ENERGY: 2414400 3964.7749 20421.9525 14465.9104 239.7788 -202925.9620 2346.9132 0.0000 0.0000 52033.7550 -109452.8771 299.0387 -161486.6321 -109093.6779 299.0862 -30.9773 1.3201 762078.0384 5.1236 5.0215 PRESSURE: 2414600 -517.287 -106.127 148.204 -106.126 74.0926 63.7749 148.205 63.7742 -240.486 GPRESSURE: 2414600 -448.489 -19.7779 91.4038 -37.668 91.1233 106.706 150.135 10.0241 -237.363 PRESSAVG: 2414600 -12.9761 -16.9679 2.27354 -16.9679 -19.8603 -46.8703 2.27356 -46.8703 3.46809 GPRESSAVG: 2414600 -12.6451 -18.0939 2.41069 -18.7623 -20.1518 -45.9265 3.05498 -49.2743 3.40804 TIMING: 2414600 CPU: 7628.83, 0.0031182/step Wall: 7628.83, 0.0031182/step, 2.23939 hours remaining, 235.375000 MB of memory in use. ENERGY: 2414600 3962.6417 20355.3678 14407.0846 255.0893 -203540.3971 2708.5450 0.0000 0.0000 52235.6360 -109616.0328 300.1989 -161851.6688 -109236.5772 298.8178 -227.8933 -198.2432 762924.5390 -9.7895 -9.7963 PRESSURE: 2414800 109.322 -5.16021 -56.698 -5.16032 -21.0296 74.9819 -56.6978 74.9812 55.5627 GPRESSURE: 2414800 54.4339 2.42105 -36.3945 -77.173 59.0867 25.3118 -55.2359 165.909 113.351 PRESSAVG: 2414800 -47.2132 -24.6424 -13.5934 -24.6424 85.3548 1.66564 -13.5934 1.66559 21.3559 GPRESSAVG: 2414800 -47.5065 -24.2272 -13.6047 -23.8902 84.6673 -0.743449 -12.9198 3.32769 22.0687 TIMING: 2414800 CPU: 7629.46, 0.00312744/step Wall: 7629.46, 0.00312744/step, 2.24585 hours remaining, 235.375000 MB of memory in use. ENERGY: 2414800 3971.9676 20613.0952 14379.0774 230.1035 -203203.7099 2521.5878 0.0000 0.0000 51964.4495 -109523.4291 298.6404 -161487.8785 -109156.9391 298.9598 47.9517 75.6238 760682.2727 19.8325 19.7432 PRESSURE: 2415000 -132.899 100.123 6.23766 100.122 201.759 -9.80614 6.23744 -9.80519 -324.445 GPRESSURE: 2415000 -80.164 7.46529 58.3257 -42.3016 176.257 67.7908 -58.1549 -35.661 -267.749 PRESSAVG: 2415000 -41.6532 -53.0431 -35.5598 -53.043 -32.3662 4.75099 -35.5598 4.75095 -27.435 GPRESSAVG: 2415000 -41.1395 -53.2997 -36.7319 -53.2113 -32.3788 5.75994 -35.4635 3.36386 -27.7687 TIMING: 2415000 CPU: 7630.08, 0.00311828/step Wall: 7630.08, 0.00311828/step, 2.2391 hours remaining, 235.375000 MB of memory in use. ENERGY: 2415000 3974.2952 20568.2254 14457.0646 237.4246 -203140.2773 2508.6912 0.0000 0.0000 51898.8001 -109495.7762 298.2631 -161394.5763 -109146.2794 298.9668 -85.1948 -57.2189 763309.9255 -33.8181 -33.7623 PRESSURE: 2415200 82.6687 -122.278 -442.794 -122.278 61.6877 82.8294 -442.794 82.83 -375.715 GPRESSURE: 2415200 -4.74308 -114.321 -371.847 13.9311 184.92 -31.5328 -308.086 6.72089 -334.318 PRESSAVG: 2415200 48.2345 5.40371 7.05489 5.40375 -61.4897 3.32611 7.05488 3.32606 -14.4762 GPRESSAVG: 2415200 48.1121 4.237 8.98911 6.2757 -60.2586 4.48122 7.24444 2.47223 -15.183 TIMING: 2415200 CPU: 7630.71, 0.00313094/step Wall: 7630.71, 0.00313094/step, 2.24802 hours remaining, 235.375000 MB of memory in use. ENERGY: 2415200 3971.2282 20549.8446 14500.6930 242.7828 -202827.8275 2374.0504 0.0000 0.0000 51991.0628 -109198.1656 298.7934 -161189.2284 -108834.6267 299.0314 -77.1194 -51.3804 762470.3858 -9.2438 -9.1098 PRESSURE: 2415400 7.68539 183.402 -196.528 183.402 -91.7739 157.306 -196.527 157.306 -7.30901 GPRESSURE: 2415400 -55.759 150.23 -179.993 127.714 46.1481 145.589 -203.302 125.147 0.310862 PRESSAVG: 2415400 -59.9355 72.1868 0.992785 72.1868 89.4702 45.0908 0.992771 45.0908 -19.8458 GPRESSAVG: 2415400 -60.5684 74.4214 -0.0551516 71.6827 88.9214 44.4454 0.607527 45.0386 -18.3357 TIMING: 2415400 CPU: 7631.34, 0.00313076/step Wall: 7631.34, 0.00313076/step, 2.24771 hours remaining, 235.375000 MB of memory in use. ENERGY: 2415400 3980.7953 20397.2447 14456.1251 246.5029 -203110.9320 2648.3684 0.0000 0.0000 52345.4319 -109036.4636 300.8299 -161381.8955 -108674.3933 299.9257 -30.4658 -3.1000 761115.4608 3.2296 3.3391 PRESSURE: 2415600 209.257 120.112 111.106 120.113 6.44851 14.3799 111.107 14.38 -65.2853 GPRESSURE: 2415600 165.118 52.9092 56.9635 135.388 161.284 -6.23958 131.633 11.9381 -70.2243 PRESSAVG: 2415600 -19.882 56.9526 20.4008 56.9527 52.1474 52.8741 20.4007 52.8741 26.0563 GPRESSAVG: 2415600 -19.1011 54.75 20.1907 57.4365 52.2699 51.4825 20.902 52.5943 25.7944 TIMING: 2415600 CPU: 7631.96, 0.00312641/step Wall: 7631.96, 0.00312641/step, 2.24442 hours remaining, 235.375000 MB of memory in use. ENERGY: 2415600 4031.2843 20242.8779 14478.8231 230.4981 -203276.6302 2800.8611 0.0000 0.0000 52265.8844 -109226.4013 300.3728 -161492.2857 -108870.0923 299.4419 50.1401 85.3927 760581.2957 19.4406 19.6544 PRESSURE: 2415800 198.241 303.427 -8.24341 303.428 -71.1438 94.28 -8.24384 94.2793 453.533 GPRESSURE: 2415800 223.901 378.598 -82.9395 277.981 -7.24382 101.038 -22.3673 66.8904 454.741 PRESSAVG: 2415800 0.661527 15.8239 -19.4194 15.8239 -11.6203 -4.33178 -19.4194 -4.33172 -8.84197 GPRESSAVG: 2415800 0.165292 18.2616 -19.3923 16.7012 -10.8313 -2.83491 -19.3803 -3.78492 -9.32731 TIMING: 2415800 CPU: 7632.59, 0.00313865/step Wall: 7632.59, 0.00313865/step, 2.25303 hours remaining, 235.375000 MB of memory in use. ENERGY: 2415800 3910.3269 20656.2878 14528.8070 239.8167 -202956.0746 2575.5869 0.0000 0.0000 51994.7703 -109050.4791 298.8147 -161045.2494 -108702.4666 299.7289 193.5433 223.7994 760902.9766 -6.6003 -6.6644 PRESSURE: 2416000 78.404 -155.591 216.192 -155.591 -96.8246 -129.221 216.193 -129.222 -203.359 GPRESSURE: 2416000 93.5591 -290.398 207.076 -138.376 -121.72 -108.654 121.043 -16.571 -112.11 PRESSAVG: 2416000 44.5393 -32.3415 -13.0259 -32.3415 -44.7818 15.7342 -13.0259 15.7343 10.3934 GPRESSAVG: 2416000 43.4881 -34.988 -12.8955 -30.5457 -44.2179 16.046 -14.0132 16.437 10.936 TIMING: 2416000 CPU: 7633.22, 0.00313174/step Wall: 7633.22, 0.00313174/step, 2.24789 hours remaining, 235.375000 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: 2416000 4026.2933 20541.2252 14477.8604 254.3201 -203445.3025 2710.8862 0.0000 0.0000 52475.5822 -108959.1350 301.5779 -161434.7173 -108602.3608 300.5199 -73.9267 -46.7568 760901.6124 3.3837 3.4021 PRESSURE: 2416200 342.121 -25.2774 -315.271 -25.2778 115.835 -179.462 -315.271 -179.461 32.6248 GPRESSURE: 2416200 333.78 162.618 -228.384 -18.6362 150.545 -177.248 -309.404 -80.3417 103.084 PRESSAVG: 2416200 28.5796 -49.5065 -45.9724 -49.5065 -30.9037 -0.389694 -45.9724 -0.389727 -5.39456 GPRESSAVG: 2416200 30.0273 -47.0057 -45.1344 -52.1014 -33.4746 -2.12801 -47.7215 -0.146976 -4.38634 TIMING: 2416200 CPU: 7633.84, 0.00312222/step Wall: 7633.84, 0.00312222/step, 2.24089 hours remaining, 235.375000 MB of memory in use. ENERGY: 2416200 4038.1158 20554.3136 14463.4656 250.7679 -203526.2426 2928.9434 0.0000 0.0000 52329.8662 -108960.7701 300.7405 -161290.6363 -108588.3764 300.3583 163.5269 195.8026 760701.5002 -2.5729 -2.6112 LDB: ============= START OF LOAD BALANCING ============== 7646.37 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7646.37 LDB: =============== DONE WITH MIGRATION ================ 7646.37 LDB: ============= START OF LOAD BALANCING ============== 7646.68 LDB: Largest compute 7077 load 0.031680 is 16.2% of average load 0.195588 LDB: Average compute 0.004384 is 2.2% of average load 0.195588 LDB: TIME 7646.69 LOAD: AVG 0.195588 MAX 0.221163 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.168 MB LDB: TIME 7646.69 LOAD: AVG 0.195588 MAX 0.221163 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: TIME 7646.69 LOAD: AVG 0.195588 MAX 0.217389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: ============== END OF LOAD BALANCING =============== 7646.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7646.69 PRESSURE: 2416400 -314.057 -89.7626 -14.639 -89.763 -198.013 -90.3516 -14.6391 -90.3524 47.3917 GPRESSURE: 2416400 -249.804 -4.20633 -42.892 -99.9767 -164.037 -148.688 -16.4185 -163.866 12.649 PRESSAVG: 2416400 23.7385 16.6877 27.3138 16.6877 19.1655 -37.1994 27.3138 -37.1994 10.8 GPRESSAVG: 2416400 23.0519 18.789 27.405 15.8291 19.8199 -35.8911 28.745 -37.7432 10.7035 TIMING: 2416400 CPU: 7634.48, 0.00318757/step Wall: 7634.48, 0.00318757/step, 2.28761 hours remaining, 236.167969 MB of memory in use. ENERGY: 2416400 4038.3951 20488.3680 14478.7485 246.1551 -203028.7474 2419.0022 0.0000 0.0000 52256.9106 -109101.1681 300.3212 -161358.0787 -108734.6113 299.6615 -154.8926 -133.7308 762039.6307 17.9013 17.8584 PRESSURE: 2416600 192.85 324.091 -68.2043 324.091 264.871 12.4535 -68.2034 12.4537 67.7498 GPRESSURE: 2416600 227.99 266.986 15.7996 303.174 282.691 47.7141 -38.5583 53.5138 99.1978 PRESSAVG: 2416600 -16.1816 19.5073 37.758 19.5073 14.3169 1.42629 37.758 1.42647 -6.10832 GPRESSAVG: 2416600 -16.2707 16.5726 38.3771 19.507 15.7308 0.0834372 35.4853 0.359281 -7.28362 TIMING: 2416600 CPU: 7635.1, 0.00311917/step Wall: 7635.1, 0.00311917/step, 2.23835 hours remaining, 236.492188 MB of memory in use. ENERGY: 2416600 4007.5823 20445.8953 14562.0087 245.6311 -203244.2417 2765.6615 0.0000 0.0000 51998.4169 -109219.0459 298.8356 -161217.4628 -108850.0187 299.5629 175.1568 203.2928 761400.7928 -2.6577 -2.6078 PRESSURE: 2416800 185.058 -82.2902 -34.5057 -82.2903 293.882 11.6634 -34.5071 11.6638 364.738 GPRESSURE: 2416800 104.431 -199.121 -33.0195 -8.99089 392.146 13.1291 -8.27618 106.656 418.685 PRESSAVG: 2416800 -43.0639 -51.9955 20.6078 -51.9955 32.9864 61.2663 20.6078 61.2663 -46.414 GPRESSAVG: 2416800 -43.688 -51.6557 21.1434 -51.4959 32.7015 62.9018 22.189 61.9654 -45.6298 TIMING: 2416800 CPU: 7635.73, 0.00313919/step Wall: 7635.73, 0.00313919/step, 2.25255 hours remaining, 236.507812 MB of memory in use. ENERGY: 2416800 3927.5804 20494.8998 14480.4628 231.5991 -203399.2986 2841.9097 0.0000 0.0000 52023.7042 -109399.1427 298.9809 -161422.8469 -109033.4838 299.2149 281.2260 305.0871 760580.0510 -18.8305 -18.8721 PRESSURE: 2417000 -357.439 36.0388 -4.57326 36.0394 -195.823 12.6218 -4.57389 12.6228 -190.621 GPRESSURE: 2417000 -378.298 67.6143 -99.5512 -31.1777 -65.2806 -17.4776 31.6174 148.443 -215.054 PRESSAVG: 2417000 -40.4399 -16.61 -20.1143 -16.61 29.4121 29.7726 -20.1142 29.7725 -5.25669 GPRESSAVG: 2417000 -40.8749 -14.0498 -22.6243 -17.4316 29.444 29.8004 -18.2953 30.9827 -4.92696 TIMING: 2417000 CPU: 7636.36, 0.00313709/step Wall: 7636.36, 0.00313709/step, 2.25086 hours remaining, 236.507812 MB of memory in use. ENERGY: 2417000 3959.5524 20398.3009 14482.6740 250.9149 -203261.9424 2471.3182 0.0000 0.0000 52428.1843 -109270.9977 301.3055 -161699.1820 -108900.9920 299.4740 -247.9611 -219.5443 762157.0812 -5.4281 -5.4526 PRESSURE: 2417200 147.271 -10.714 -56.8673 -10.7142 -70.6127 -66.5609 -56.8671 -66.5611 121.569 GPRESSURE: 2417200 213.357 -10.6684 58.9692 -104.404 -48.6641 -7.35478 -53.9806 -69.9771 120.745 PRESSAVG: 2417200 -36.9192 12.8673 6.57084 12.8674 16.1937 25.2534 6.57082 25.2533 -17.1298 GPRESSAVG: 2417200 -37.6026 10.9859 7.00082 13.4056 15.8704 26.4194 5.26145 23.5955 -16.7337 TIMING: 2417200 CPU: 7636.99, 0.00314782/step Wall: 7636.99, 0.00314782/step, 2.25838 hours remaining, 236.507812 MB of memory in use. ENERGY: 2417200 4012.0826 20475.2383 14487.9594 221.3235 -203354.0247 2704.8485 0.0000 0.0000 51993.3130 -109459.2595 298.8063 -161452.5724 -109103.2108 299.2088 66.0758 95.1459 761802.6983 -12.6185 -12.8220 PRESSURE: 2417400 -334.496 -19.0758 195.451 -19.0765 -228.714 183.12 195.45 183.12 -76.0678 GPRESSURE: 2417400 -262.497 -20.7841 161.008 -68.6394 -154.366 112.921 236.864 136.672 -137.525 PRESSAVG: 2417400 29.6984 -5.90423 39.8139 -5.90421 -1.94173 37.7119 39.8139 37.7119 1.18747 GPRESSAVG: 2417400 32.4992 -4.33867 42.8621 -6.51214 -2.71562 36.9917 38.9003 37.8205 -0.979371 TIMING: 2417400 CPU: 7637.62, 0.00315164/step Wall: 7637.62, 0.00315165/step, 2.26096 hours remaining, 236.507812 MB of memory in use. ENERGY: 2417400 4002.9696 20574.5346 14491.9510 238.4673 -203085.8201 2626.7290 0.0000 0.0000 51746.0673 -109405.1012 297.3854 -161151.1685 -109048.8150 299.0859 -213.0927 -184.7958 763971.2339 9.6481 9.6014 PRESSURE: 2417600 135.277 337.638 -253.859 337.639 -134.007 -24.8126 -253.86 -24.8118 18.273 GPRESSURE: 2417600 128.763 306.919 -214.929 228.363 -35.7233 -16.6631 -63.4367 -200.019 1.59559 PRESSAVG: 2417600 14.7285 -24.7284 10.8431 -24.7283 1.53233 -4.53518 10.8431 -4.53525 4.69311 GPRESSAVG: 2417600 12.7645 -25.7031 9.16623 -24.216 2.10183 -4.70073 11.8038 -4.59493 5.94067 TIMING: 2417600 CPU: 7638.24, 0.0031394/step Wall: 7638.24, 0.0031394/step, 2.252 hours remaining, 236.507812 MB of memory in use. ENERGY: 2417600 3955.9564 20406.2387 14494.2975 262.6650 -203401.2555 2672.5669 0.0000 0.0000 51932.4123 -109677.1187 298.4563 -161609.5310 -109320.9102 298.9386 6.5145 31.5449 760892.4756 6.9846 6.9357 PRESSURE: 2417800 260.767 -85.1086 224.808 -85.1082 -31.7023 -28.9452 224.808 -28.9444 23.1651 GPRESSURE: 2417800 267.074 -186.581 249.224 -32.8319 0.237794 -35.747 205.283 -72.4455 66.457 PRESSAVG: 2417800 12.3293 -61.3341 36.5485 -61.3341 -37.4398 17.0889 36.5486 17.0889 -26.2159 GPRESSAVG: 2417800 12.9014 -63.5669 35.5107 -58.0812 -38.2705 16.7925 39.3026 16.1315 -26.501 TIMING: 2417800 CPU: 7638.87, 0.0031322/step Wall: 7638.87, 0.0031322/step, 2.24666 hours remaining, 236.507812 MB of memory in use. ENERGY: 2417800 3994.7998 20511.2654 14531.6982 260.4452 -204009.6384 2910.7773 0.0000 0.0000 52195.8488 -109604.8037 299.9703 -161800.6525 -109250.8248 298.6229 84.0767 111.2562 762103.0876 -17.1088 -17.2900 PRESSURE: 2418000 -290.178 56.3832 260.982 56.3833 -347.998 -85.2887 260.981 -85.2893 -353.396 GPRESSURE: 2418000 -345.605 110.571 231.306 -16.173 -325.631 -101.542 138.519 -27.4308 -247.531 PRESSAVG: 2418000 38.5623 -48.5353 30.4034 -48.5353 -9.96101 0.677139 30.4034 0.677114 -4.63859 GPRESSAVG: 2418000 37.8611 -47.7225 31.4832 -48.2307 -9.64079 0.76789 26.4129 2.49454 -3.8987 TIMING: 2418000 CPU: 7639.5, 0.00314932/step Wall: 7639.5, 0.00314932/step, 2.25876 hours remaining, 236.507812 MB of memory 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 4043.0831 20486.7639 14513.8233 247.8630 -203285.5787 2314.3290 0.0000 0.0000 52243.2522 -109436.4642 300.2427 -161679.7164 -109079.7630 298.8417 -330.5242 -306.2557 762862.2491 7.9876 8.1072 PRESSURE: 2418200 -227.108 19.2089 -145.212 19.2086 -420.252 257.974 -145.212 257.975 -133.926 GPRESSURE: 2418200 -191.025 -117.673 -197.287 14.0673 -336.688 233.059 -45.8003 240.002 -161.663 PRESSAVG: 2418200 30.2169 0.821535 15.7516 0.821512 -22.7103 19.9755 15.7516 19.9755 -27.2163 GPRESSAVG: 2418200 31.1256 1.98402 15.0238 -3.38593 -22.7576 21.2542 15.9609 17.9423 -28.583 TIMING: 2418200 CPU: 7640.13, 0.00316275/step Wall: 7640.13, 0.00316275/step, 2.26822 hours remaining, 236.507812 MB of memory in use. ENERGY: 2418200 4075.1400 20663.7889 14429.3184 219.6409 -203466.2035 2409.9721 0.0000 0.0000 52346.0445 -109322.2985 300.8334 -161668.3431 -108956.7657 299.4491 -260.4286 -229.7919 762287.6357 -6.5699 -6.7383 PRESSURE: 2418400 -92.3903 -94.7792 114.893 -94.7785 252.324 107.427 114.892 107.427 97.3289 GPRESSURE: 2418400 -26.2497 -167.692 143.072 -169.371 273.289 143.497 -25.3027 42.4098 96.9983 PRESSAVG: 2418400 -16.8305 -18.9618 6.32242 -18.9618 5.82288 16.1961 6.32241 16.1962 27.3241 GPRESSAVG: 2418400 -17.6067 -18.6159 7.55662 -17.6673 5.68796 14.169 6.46168 17.9959 28.0714 TIMING: 2418400 CPU: 7640.76, 0.00315219/step Wall: 7640.76, 0.00315219/step, 2.26047 hours remaining, 236.507812 MB of memory in use. ENERGY: 2418400 3903.0988 20651.3250 14415.6275 235.6058 -203557.3119 2706.8203 0.0000 0.0000 52203.8480 -109440.9865 300.0162 -161644.8345 -109080.6947 299.5942 85.7543 114.6791 761525.5660 5.4388 5.3842 PRESSURE: 2418600 164.094 167.64 380.47 167.641 -264.746 -253.188 380.47 -253.187 -58.1831 GPRESSURE: 2418600 184.161 45.1621 341.326 68.9564 -188.076 -246.235 422.964 -208.887 -67.103 PRESSAVG: 2418600 55.6648 2.80581 21.3586 2.80582 -15.8403 6.83635 21.3586 6.83631 -12.4318 GPRESSAVG: 2418600 56.5147 0.609165 19.1936 3.15951 -15.9683 7.98975 23.1773 5.65324 -11.925 TIMING: 2418600 CPU: 7641.39, 0.00313863/step Wall: 7641.39, 0.00313863/step, 2.25057 hours remaining, 236.507812 MB of memory in use. ENERGY: 2418600 4032.0431 20534.0628 14404.4610 250.9107 -203093.3045 2431.7817 0.0000 0.0000 52000.6426 -109439.4025 298.8484 -161440.0451 -109076.2663 299.3095 -52.9453 -23.6726 762223.0078 9.1309 9.5404 PRESSURE: 2418800 15.5857 -34.1545 -71.5006 -34.1539 116.42 100.181 -71.5009 100.18 228.471 GPRESSURE: 2418800 24.462 -93.1755 -103.027 46.8579 147.594 57.3019 20.4752 136.348 279.372 PRESSAVG: 2418800 -38.4967 28.5515 31.0302 28.5514 -27.7659 16.4622 31.0302 16.4623 45.7208 GPRESSAVG: 2418800 -38.301 28.4284 33.155 30.364 -28.6042 15.5269 29.3206 16.0618 46.1991 TIMING: 2418800 CPU: 7642.02, 0.00316087/step Wall: 7642.02, 0.00316087/step, 2.26634 hours remaining, 236.507812 MB of memory in use. ENERGY: 2418800 4004.8500 20664.3020 14386.1904 236.1868 -203326.5214 2701.0804 0.0000 0.0000 52003.3874 -109330.5245 298.8642 -161333.9119 -108976.7936 299.0031 120.1588 150.4760 761826.9083 -6.8473 -6.9020 PRESSURE: 2419000 -13.292 -73.957 59.1458 -73.9567 121.881 -164.35 59.1463 -164.35 116.544 GPRESSURE: 2419000 90.0096 -24.9037 65.4658 -228.3 123.488 -97.5237 89.4057 -33.2967 108.549 PRESSAVG: 2419000 67.501 0.25 23.2 0.249937 -53.3453 46.7791 23.2 46.7791 2.90378 GPRESSAVG: 2419000 67.9864 0.929069 23.2443 -1.63254 -52.1166 48.1813 22.4782 47.4993 1.43501 TIMING: 2419000 CPU: 7642.65, 0.00312638/step Wall: 7642.65, 0.00312638/step, 2.24144 hours remaining, 236.507812 MB of memory in use. ENERGY: 2419000 4000.5965 20589.6026 14420.0879 253.7232 -203466.5776 2710.8825 0.0000 0.0000 52163.1286 -109328.5563 299.7822 -161491.6850 -108968.1625 299.8687 75.0444 107.3488 761859.3782 5.6865 5.7683 PRESSURE: 2419200 25.4821 36.1789 -89.4923 36.1785 16.8693 220.076 -89.4937 220.075 -342.934 GPRESSURE: 2419200 -21.5688 -11.8025 -32.9795 70.3928 159.75 145.72 -32.9941 213.59 -363.425 PRESSAVG: 2419200 57.07 30.241 15.2059 30.2409 -14.6038 40.1502 15.2059 40.1503 -0.0573548 GPRESSAVG: 2419200 56.4511 31.8754 14.9916 30.4798 -15.7036 39.206 15.9379 40.3642 1.02885 TIMING: 2419200 CPU: 7643.27, 0.00311041/step Wall: 7643.27, 0.00311041/step, 2.22982 hours remaining, 236.507812 MB of memory in use. ENERGY: 2419200 3911.8664 20540.8236 14446.9231 242.1537 -203524.6748 2720.8938 0.0000 0.0000 52321.4750 -109340.5393 300.6922 -161662.0142 -108975.9773 299.0466 -100.1941 -75.0814 761512.5046 14.1363 13.9255 PRESSURE: 2419400 -120.487 20.2672 -43.3628 20.2666 -311.202 10.4508 -43.3627 10.45 81.0141 GPRESSURE: 2419400 -122.567 -1.7658 -88.3948 -7.84869 -189.698 83.6935 75.6774 25.7453 53.7019 PRESSAVG: 2419400 -39.4504 -58.2305 43.6463 -58.2305 48.5435 7.8452 43.6463 7.84517 -6.88751 GPRESSAVG: 2419400 -39.5495 -60.7365 42.2704 -57.4334 50.1548 8.76763 44.1022 9.17212 -8.1824 TIMING: 2419400 CPU: 7643.9, 0.0031305/step Wall: 7643.9, 0.0031305/step, 2.24405 hours remaining, 236.507812 MB of memory in use. ENERGY: 2419400 4022.8316 20613.2740 14456.4841 255.2212 -203403.9827 2541.2926 0.0000 0.0000 52150.5183 -109364.3610 299.7097 -161514.8792 -109001.7437 299.7327 -116.8919 -86.1879 761890.7960 0.7352 0.8076 PRESSURE: 2419600 -40.4139 160.398 -8.71122 160.398 189.745 -59.0717 -8.71167 -59.07 -37.0942 GPRESSURE: 2419600 41.0176 151.505 -65.1353 37.7576 180.809 -95.3315 84.8666 -14.659 -43.3181 PRESSAVG: 2419600 19.4107 6.06519 28.7296 6.0652 -29.035 23.4391 28.7297 23.4391 -0.891989 GPRESSAVG: 2419600 18.4379 6.46716 31.641 5.07491 -29.3633 20.7492 27.9144 23.6177 0.445631 TIMING: 2419600 CPU: 7644.53, 0.00315315/step Wall: 7644.53, 0.00315315/step, 2.26011 hours remaining, 236.562500 MB of memory in use. ENERGY: 2419600 4002.7134 20465.7313 14329.8852 262.7910 -203388.5049 2720.0801 0.0000 0.0000 52097.9372 -109509.3667 299.4076 -161607.3039 -109138.3438 299.3065 37.4125 59.5027 762823.2144 -3.5054 -3.4933 PRESSURE: 2419800 -193.064 -59.3196 -19.4847 -59.3185 -13.2977 354.445 -19.4837 354.444 -165.095 GPRESSURE: 2419800 -246.42 55.4528 -19.1868 -64.1083 53.2767 348.864 125.605 412.402 -112.257 PRESSAVG: 2419800 -38.094 30.4324 38.5005 30.4324 -7.21062 99.8421 38.5005 99.8421 6.16178 GPRESSAVG: 2419800 -37.5714 31.4826 36.1215 29.6853 -7.06942 101.032 39.5263 99.8001 5.75886 TIMING: 2419800 CPU: 7645.16, 0.0031624/step Wall: 7645.16, 0.0031624/step, 2.26656 hours remaining, 236.562500 MB of memory in use. ENERGY: 2419800 4013.6033 20709.6987 14484.4575 220.6172 -203638.5466 2686.9166 0.0000 0.0000 52075.5451 -109447.7081 299.2789 -161523.2532 -109090.8927 298.5434 -123.8191 -101.8002 761420.6108 -13.0476 -12.9607 PRESSURE: 2420000 -330.274 -227.74 10.0093 -227.74 1.63274 81.5073 10.0097 81.506 -423.637 GPRESSURE: 2420000 -233.433 -195.478 -44.0867 -139.54 14.2229 182.994 -41.5747 145.299 -455.243 PRESSAVG: 2420000 -27.6411 19.8087 -6.48053 19.8086 40.8271 82.0669 -6.48045 82.0669 -17.2022 GPRESSAVG: 2420000 -27.5996 20.1988 -7.4071 21.3809 39.6007 81.4127 -6.19931 84.7512 -16.4799 TIMING: 2420000 CPU: 7645.79, 0.00316522/step Wall: 7645.79, 0.00316522/step, 2.26841 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: 2420000 3907.4041 20547.4781 14445.3070 240.4532 -203019.0321 2472.9500 0.0000 0.0000 52062.4599 -109342.9798 299.2037 -161405.4397 -108981.6719 298.9803 -250.7592 -224.8177 763593.3384 -1.3387 -1.4929 PRESSURE: 2420200 267.839 -61.4505 13.5402 -61.4504 -14.1964 144.902 13.5394 144.902 25.1031 GPRESSURE: 2420200 297.216 -103.759 82.5172 -18.1134 7.46214 166.28 18.8611 105.484 56.0882 PRESSAVG: 2420200 18.7192 -5.18632 -1.49187 -5.18633 -10.6276 65.4526 -1.49179 65.4527 39.3293 GPRESSAVG: 2420200 19.9493 -5.77234 -0.418985 -6.93283 -10.5521 66.6964 -1.68112 63.1384 38.4098 TIMING: 2420200 CPU: 7646.42, 0.00315231/step Wall: 7646.42, 0.00315231/step, 2.25898 hours remaining, 236.562500 MB of memory in use. ENERGY: 2420200 3949.9467 20582.7338 14414.3866 232.0919 -203489.5202 2849.8497 0.0000 0.0000 52215.2135 -109245.2979 300.0815 -161460.5115 -108887.5065 299.8289 92.9152 120.2554 761306.9542 15.8070 15.9357 LDB: ============= START OF LOAD BALANCING ============== 7658.95 LDB: ============== END OF LOAD BALANCING =============== 7658.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7658.96 LDB: ============= START OF LOAD BALANCING ============== 7659.27 LDB: Largest compute 7054 load 0.031237 is 16.0% of average load 0.195520 LDB: Average compute 0.004381 is 2.2% of average load 0.195520 LDB: TIME 7659.27 LOAD: AVG 0.19552 MAX 0.215048 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 7659.28 LOAD: AVG 0.19552 MAX 0.215048 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: TIME 7659.28 LOAD: AVG 0.19552 MAX 0.215048 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.145 MB LDB: ============== END OF LOAD BALANCING =============== 7659.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7659.28 PRESSURE: 2420400 16.6652 21.3506 134.71 21.3517 140.318 -53.9973 134.711 -53.998 157.8 GPRESSURE: 2420400 81.9392 -7.47325 58.0313 40.5647 171.396 -105.039 241.438 -82.3354 145.308 PRESSAVG: 2420400 46.4575 13.4036 -20.1426 13.4036 -30.3156 -14.3567 -20.1427 -14.3566 -1.48143 GPRESSAVG: 2420400 45.6987 11.8907 -21.1331 14.1278 -29.3793 -13.6973 -19.5046 -15.4295 -1.18639 TIMING: 2420400 CPU: 7647.07, 0.00321065/step Wall: 7647.07, 0.00321065/step, 2.30061 hours remaining, 236.167969 MB of memory in use. ENERGY: 2420400 3988.2140 20422.8862 14471.7762 243.9413 -203468.1576 2724.5253 0.0000 0.0000 52365.7327 -109251.0818 300.9466 -161616.8145 -108881.6897 299.2952 104.9277 132.8811 761180.5559 4.8868 5.0444 PRESSURE: 2420600 81.8396 -196.081 0.688124 -196.081 223.294 -18.3228 0.688401 -18.3226 -143.349 GPRESSURE: 2420600 154.553 -44.6504 -19.0565 -196.081 148.766 52.7561 -41.4032 -97.8161 -92.7026 PRESSAVG: 2420600 65.5784 -9.68972 -28.8271 -9.6897 -19.6207 -63.1544 -28.8272 -63.1543 28.968 GPRESSAVG: 2420600 65.7089 -9.10186 -28.1483 -10.1064 -19.8188 -62.0882 -29.0274 -64.0627 28.8356 TIMING: 2420600 CPU: 7647.7, 0.0031648/step Wall: 7647.7, 0.0031648/step, 2.26758 hours remaining, 236.371094 MB of memory in use. ENERGY: 2420600 3971.6543 20655.5294 14395.5227 247.6863 -203167.9268 2482.6255 0.0000 0.0000 52258.8742 -109156.0345 300.3325 -161414.9086 -108789.7288 299.6067 53.9282 70.2056 761255.8946 24.9753 24.9086 PRESSURE: 2420800 110.399 -154.06 -53.1745 -154.059 -25.8236 -65.8506 -53.1754 -65.8496 392.207 GPRESSURE: 2420800 187.419 -167.006 -75.1645 -116.852 51.9428 -63.3469 26.8358 -2.56253 333.632 PRESSAVG: 2420800 30.8557 -27.5955 -6.75322 -27.5954 -32.6778 -9.63075 -6.75316 -9.6308 -12.5182 GPRESSAVG: 2420800 29.9188 -29.2199 -7.13476 -25.452 -31.794 -9.93448 -6.50355 -7.90666 -12.6044 TIMING: 2420800 CPU: 7648.33, 0.00316773/step Wall: 7648.33, 0.00316773/step, 2.26951 hours remaining, 236.371094 MB of memory in use. ENERGY: 2420800 4019.3969 20506.9474 14452.1479 247.8032 -203027.1917 2676.6419 0.0000 0.0000 52142.4389 -108981.8156 299.6633 -161124.2545 -108624.6078 299.4194 158.9275 190.9980 763205.4760 -4.7801 -4.8265 PRESSURE: 2421000 -179.945 -154.955 17.6539 -154.955 29.9862 223.226 17.6529 223.226 313.547 GPRESSURE: 2421000 -134.719 -69.875 -71.6456 -175.178 80.0104 225.949 69.6869 48.7518 311.372 PRESSAVG: 2421000 41.9865 -74.5598 -6.20698 -74.5598 -64.4912 37.3457 -6.20698 37.3458 6.37589 GPRESSAVG: 2421000 41.7537 -72.8691 -7.32287 -75.9353 -65.1572 36.4276 -5.8314 37.61 7.14909 TIMING: 2421000 CPU: 7648.96, 0.00314586/step Wall: 7648.96, 0.00314586/step, 2.25366 hours remaining, 236.371094 MB of memory in use. ENERGY: 2421000 3944.7863 20615.4442 14409.4526 235.2053 -202875.6182 2426.9581 0.0000 0.0000 52198.7983 -109044.9733 299.9872 -161243.7716 -108683.4589 300.1809 54.5296 85.5548 763755.9484 -5.3763 -5.4181 PRESSURE: 2421200 -434.89 -106.134 87.4295 -106.135 -391.009 -263.478 87.4285 -263.479 -102.364 GPRESSURE: 2421200 -400.039 -135.871 131.189 -0.797886 -361.469 -179.545 58.388 -180.766 -73.4806 PRESSAVG: 2421200 -47.322 -53.6429 7.2571 -53.6428 21.3768 21.0558 7.25707 21.0558 -15.5052 GPRESSAVG: 2421200 -47.9486 -51.3498 8.71277 -53.9699 22.8966 21.7516 6.14761 20.1523 -16.7052 TIMING: 2421200 CPU: 7649.59, 0.00315829/step Wall: 7649.59, 0.00315829/step, 2.26239 hours remaining, 236.371094 MB of memory in use. ENERGY: 2421200 3995.3699 20547.3197 14404.2325 226.6495 -202758.2700 2306.4878 0.0000 0.0000 52173.4269 -109104.7838 299.8414 -161278.2107 -108740.5214 299.3332 -309.4210 -278.3293 763166.3537 -13.8168 -13.9191 PRESSURE: 2421400 -380.555 19.4121 176.951 19.4128 -51.4298 -103.512 176.951 -103.511 38.146 GPRESSURE: 2421400 -214.287 -83.9403 178.428 96.3675 -112.612 -79.6717 56.0041 -153.5 1.36202 PRESSAVG: 2421400 -40.6515 -20.5465 -7.7567 -20.5464 49.5094 -20.088 -7.75672 -20.088 -28.8996 GPRESSAVG: 2421400 -41.3033 -20.3814 -8.3828 -23.567 48.1132 -19.4611 -7.99952 -18.8513 -27.5666 TIMING: 2421400 CPU: 7650.22, 0.003135/step Wall: 7650.22, 0.003135/step, 2.24553 hours remaining, 236.371094 MB of memory in use. ENERGY: 2421400 3961.2669 20490.0448 14486.3662 246.6055 -202906.2766 2468.9528 0.0000 0.0000 52154.8384 -109098.2020 299.7346 -161253.0404 -108733.7225 299.3159 -131.2797 -108.5122 765304.0263 -6.6805 -6.9189 PRESSURE: 2421600 76.4819 -51.0078 -56.5364 -51.0079 337.477 161.317 -56.5369 161.318 -134.489 GPRESSURE: 2421600 168.953 20.9527 -57.8172 -169.107 324.955 89.755 -44.8768 140.449 -124.263 PRESSAVG: 2421600 21.2075 -50.6942 -37.9212 -50.6943 -44.5773 24.428 -37.9212 24.428 14.241 GPRESSAVG: 2421600 20.7897 -52.4683 -38.9612 -47.8067 -43.2563 23.2179 -36.9686 23.8664 13.7448 TIMING: 2421600 CPU: 7650.85, 0.00316181/step Wall: 7650.85, 0.00316181/step, 2.26456 hours remaining, 236.371094 MB of memory in use. ENERGY: 2421600 4037.7359 20480.2364 14519.4103 261.2613 -203459.7366 2997.7205 0.0000 0.0000 52166.8183 -108996.5540 299.8034 -161163.3722 -108626.6165 299.7015 93.1567 123.2147 763507.2690 -3.0429 -2.9073 PRESSURE: 2421800 54.3758 -56.833 103.478 -56.8336 39.1553 -117.57 103.477 -117.571 326.076 GPRESSURE: 2421800 123.748 -141.577 160.519 87.0865 23.3673 -82.2628 136.178 -68.494 341.553 PRESSAVG: 2421800 -10.3014 -38.6133 5.3791 -38.6134 21.0578 33.8301 5.37914 33.8301 -6.32557 GPRESSAVG: 2421800 -10.3487 -40.0741 7.83278 -37.4932 20.5568 32.2938 5.54892 36.0169 -6.45443 TIMING: 2421800 CPU: 7651.48, 0.0031496/step Wall: 7651.48, 0.0031496/step, 2.25564 hours remaining, 236.371094 MB of memory in use. ENERGY: 2421800 4026.7338 20540.6934 14392.0410 255.9252 -203044.0067 2787.8385 0.0000 0.0000 51950.7163 -109090.0585 298.5615 -161040.7748 -108728.1451 300.2189 139.8689 162.8894 762905.2068 1.4769 1.2512 PRESSURE: 2422000 -316.004 -194.034 4.66651 -194.034 -387.103 -214.337 4.66641 -214.337 16.4254 GPRESSURE: 2422000 -295.96 -111.83 -57.0692 -216.923 -309.886 -203.504 -14.0136 -165.516 10.1496 PRESSAVG: 2422000 4.2825 15.5829 -60.4286 15.5829 48.2991 -31.0652 -60.4286 -31.0653 26.0081 GPRESSAVG: 2422000 4.71077 17.2232 -61.6613 13.7437 47.8442 -31.3098 -61.6091 -31.7576 26.2265 TIMING: 2422000 CPU: 7652.11, 0.00316143/step Wall: 7652.11, 0.00316143/step, 2.26393 hours remaining, 236.371094 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: 2422000 4027.9542 20567.5542 14442.1094 234.7074 -203143.7209 2413.9715 0.0000 0.0000 52290.9300 -109166.4941 300.5167 -161457.4241 -108798.6539 300.0569 -228.8938 -198.5656 761528.8528 26.1966 26.2605 PRESSURE: 2422200 398.027 168.187 175.334 168.187 41.1818 -2.03003 175.334 -2.03019 -100.252 GPRESSURE: 2422200 483.534 118.537 98.8335 108.47 116.104 -40.7382 217.667 -108.492 -188.655 PRESSAVG: 2422200 52.8268 2.75903 -7.77733 2.75904 -60.4948 21.2142 -7.77729 21.2142 -29.1315 GPRESSAVG: 2422200 53.0491 2.62505 -8.69364 3.17005 -60.282 22.3297 -7.35359 20.1105 -29.4974 TIMING: 2422200 CPU: 7652.75, 0.00315798/step Wall: 7652.75, 0.00315798/step, 2.26129 hours remaining, 236.371094 MB of memory in use. ENERGY: 2422200 3945.0469 20620.8444 14431.1787 237.0899 -203090.9271 2745.3444 0.0000 0.0000 52018.2568 -109093.1660 298.9496 -161111.4228 -108737.8681 299.6552 112.9857 136.9944 763972.7783 -12.2665 -12.2435 PRESSURE: 2422400 154.676 -110.243 -22.9235 -110.242 -18.1634 109.484 -22.9244 109.483 17.4992 GPRESSURE: 2422400 147.676 -46.4281 -95.0667 -166.457 58.603 183.088 -82.4654 -8.29849 40.4399 PRESSAVG: 2422400 18.2899 -35.625 16.4994 -35.625 7.29862 -19.9887 16.4995 -19.9887 -27.6794 GPRESSAVG: 2422400 18.5495 -34.3375 17.9819 -36.9902 7.58651 -17.8788 15.4598 -22.6861 -27.6863 TIMING: 2422400 CPU: 7653.38, 0.00315439/step Wall: 7653.38, 0.00315439/step, 2.25854 hours remaining, 236.371094 MB of memory in use. ENERGY: 2422400 3859.1229 20548.8545 14430.3980 259.1522 -203492.6043 2931.6575 0.0000 0.0000 52094.6577 -109368.7615 299.3887 -161463.4192 -109004.0910 299.1859 51.3371 82.2398 762496.7205 -0.6970 -0.5168 PRESSURE: 2422600 184.917 -91.9812 -111.669 -91.98 39.846 -61.417 -111.669 -61.4176 -308.846 GPRESSURE: 2422600 255.062 -51.3785 -46.9346 -37.78 30.221 -14.8604 -100.234 -56.3368 -282.382 PRESSAVG: 2422600 -5.63711 -41.8892 -6.97529 -41.8892 24.0069 56.1669 -6.97533 56.1669 8.00973 GPRESSAVG: 2422600 -4.61675 -40.1796 -7.48549 -42.0323 22.6735 54.5577 -5.3523 61.4476 8.44313 TIMING: 2422600 CPU: 7654.01, 0.0031531/step Wall: 7654.01, 0.0031531/step, 2.25745 hours remaining, 236.371094 MB of memory in use. ENERGY: 2422600 4006.8947 20469.5859 14396.0376 278.6132 -203571.4481 2977.3293 0.0000 0.0000 51977.6492 -109465.3381 298.7163 -161442.9873 -109112.5566 299.0764 -28.0277 0.9671 761426.8650 8.7932 8.8333 PRESSURE: 2422800 -167.842 18.8389 -68.8883 18.8392 -179.251 -111.433 -68.8883 -111.432 -103.98 GPRESSURE: 2422800 -189.468 -27.7654 20.6717 36.2606 -14.7994 -48.3488 -41.6177 -132.592 -165.473 PRESSAVG: 2422800 24.7428 12.8853 13.5365 12.8853 4.02695 -10.7583 13.5365 -10.7582 20.81 GPRESSAVG: 2422800 23.9034 8.35562 13.136 15.0487 5.44995 -10.4608 13.9818 -13.8169 20.6421 TIMING: 2422800 CPU: 7654.64, 0.00315215/step Wall: 7654.64, 0.00315215/step, 2.25659 hours remaining, 236.371094 MB of memory in use. ENERGY: 2422800 3976.8108 20563.8621 14409.6763 247.3231 -203406.4452 2751.5832 0.0000 0.0000 51986.7113 -109470.4784 298.7683 -161457.1896 -109100.9719 298.7727 -150.3574 -123.2469 763065.2211 16.5266 16.6651 PRESSURE: 2423000 44.9312 -66.6199 -132.174 -66.6199 1.40726 307.237 -132.175 307.237 186.86 GPRESSURE: 2423000 97.2875 -25.4204 -205.875 -139.321 -60.9369 286.996 -153.543 201.725 279.658 PRESSAVG: 2423000 5.39616 3.02126 14.1667 3.02125 -2.23008 -2.4577 14.1667 -2.45774 4.23471 GPRESSAVG: 2423000 5.63606 4.63908 14.1264 2.11725 -3.66476 -3.619 13.7492 -0.562078 5.22573 TIMING: 2423000 CPU: 7655.27, 0.00314791/step Wall: 7655.27, 0.00314791/step, 2.25338 hours remaining, 236.371094 MB of memory in use. ENERGY: 2423000 3878.6238 20452.7796 14425.7974 263.6193 -203083.8960 2489.2977 0.0000 0.0000 51880.6319 -109693.1462 298.1587 -161573.7781 -109326.6584 297.8404 77.7329 105.3362 763230.8875 2.4669 2.3990 PRESSURE: 2423200 174.156 -77.6117 -178.358 -77.6123 110.686 113.944 -178.358 113.945 161.434 GPRESSURE: 2423200 212.929 -122.556 -159.716 -11.9387 163.907 -4.27976 -295.765 129.313 160.486 PRESSAVG: 2423200 74.4516 -10.7805 14.2085 -10.7806 -47.5067 63.9449 14.2085 63.9449 19.8959 GPRESSAVG: 2423200 74.7156 -10.5301 12.681 -10.1745 -47.2107 64.9513 14.057 62.184 19.7105 TIMING: 2423200 CPU: 7655.9, 0.00314034/step Wall: 7655.9, 0.00314034/step, 2.24779 hours remaining, 236.371094 MB of memory in use. ENERGY: 2423200 3964.5036 20493.2152 14411.0749 228.3190 -203486.1896 2915.5650 0.0000 0.0000 51956.1514 -109517.3605 298.5927 -161473.5119 -109150.4475 298.2673 148.7586 179.1072 763804.3783 15.6136 15.7385 PRESSURE: 2423400 -207.936 -144.371 14.8764 -144.371 -40.1218 208.22 14.8763 208.22 -550.357 GPRESSURE: 2423400 -95.0239 -159.608 -86.1924 -232.216 -107.174 151.792 132.132 230.137 -499.81 PRESSAVG: 2423400 -11.6391 5.9331 -36.5737 5.93305 34.6149 -7.77305 -36.5737 -7.77303 -8.60051 GPRESSAVG: 2423400 -12.0921 5.06596 -35.2555 4.53124 34.03 -8.58783 -36.3776 -7.97022 -7.74993 TIMING: 2423400 CPU: 7656.52, 0.00314253/step Wall: 7656.52, 0.00314253/step, 2.24918 hours remaining, 236.371094 MB of memory in use. ENERGY: 2423400 4017.2481 20465.3571 14430.2946 236.6570 -203648.0820 2803.5213 0.0000 0.0000 52395.8772 -109299.1267 301.1198 -161695.0039 -108939.3758 298.9303 -266.1382 -234.0026 763938.6570 4.7917 4.7293 PRESSURE: 2423600 -154.611 60.9903 13.6565 60.9898 -68.186 -88.6573 13.6574 -88.6578 -158.03 GPRESSURE: 2423600 -78.0574 1.54915 9.18585 110.063 -129.464 -157.591 -57.1432 -73.5024 -94.8571 PRESSAVG: 2423600 74.3935 -19.5932 -24.7088 -19.5932 -26.5483 -84.1581 -24.7088 -84.1581 -7.53001 GPRESSAVG: 2423600 74.0874 -18.2625 -25.3958 -18.5687 -25.8448 -83.8812 -25.4341 -82.7123 -7.89777 TIMING: 2423600 CPU: 7657.15, 0.00313502/step Wall: 7657.15, 0.00313502/step, 2.24363 hours remaining, 236.371094 MB of memory in use. ENERGY: 2423600 4017.0802 20530.5550 14455.5185 253.5329 -203351.2423 2844.8195 0.0000 0.0000 51969.7526 -109279.9835 298.6709 -161249.7362 -108926.7216 299.5875 -126.9422 -100.7928 764207.1461 13.4384 13.4483 PRESSURE: 2423800 -463.766 -20.6516 50.5151 -20.6513 -293.934 -113.416 50.5147 -113.416 -239.043 GPRESSURE: 2423800 -391.829 20.4656 70.1411 16.6003 -311.612 -83.6045 105.886 -67.5879 -193.709 PRESSAVG: 2423800 54.3413 -1.80389 8.86269 -1.80387 -40.6086 -37.7766 8.86262 -37.7765 13.4811 GPRESSAVG: 2423800 55.6241 -3.72173 8.55099 -1.42101 -39.7463 -36.9054 10.1984 -40.0825 11.3644 TIMING: 2423800 CPU: 7657.78, 0.00314187/step Wall: 7657.78, 0.00314187/step, 2.24835 hours remaining, 236.371094 MB of memory in use. ENERGY: 2423800 4001.8316 20447.7754 14432.3438 241.6270 -203148.6348 2673.7476 0.0000 0.0000 52087.3768 -109263.9326 299.3469 -161351.3094 -108913.0278 299.4082 -332.2478 -299.0500 763557.5471 9.0713 9.0807 PRESSURE: 2424000 -233.451 370.218 187.015 370.218 -70.5398 274.031 187.017 274.03 160.71 GPRESSURE: 2424000 -136.115 306.292 228.563 274.027 -172.824 209.598 132.756 236.595 256.246 PRESSAVG: 2424000 83.5583 -8.38271 -14.5275 -8.38273 -58.0699 -6.10538 -14.5275 -6.1054 1.80236 GPRESSAVG: 2424000 82.8235 -8.03277 -13.7733 -9.72021 -59.3806 -7.01139 -13.63 -4.51461 4.15808 TIMING: 2424000 CPU: 7658.41, 0.00316212/step Wall: 7658.41, 0.00316212/step, 2.26267 hours remaining, 236.371094 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: 2424000 4071.4255 20485.3858 14425.2246 248.6878 -203304.0798 2627.5885 0.0000 0.0000 52091.4146 -109354.3531 299.3701 -161445.7677 -108996.9456 299.3566 -47.7605 -17.5645 763269.3148 9.0969 9.2003 PRESSURE: 2424200 16.9677 18.5437 -56.3049 18.5431 -200.684 -227.549 -56.3056 -227.548 -105.592 GPRESSURE: 2424200 56.411 -23.5118 -17.6885 54.9613 -131.005 -154.198 -59.3305 -236.022 -117.951 PRESSAVG: 2424200 48.4375 5.20102 23.5965 5.20104 -40.2332 3.45166 23.5965 3.45158 11.4863 GPRESSAVG: 2424200 48.8496 5.27158 23.9438 5.86319 -39.2995 3.60298 23.583 3.5789 10.6657 TIMING: 2424200 CPU: 7659.04, 0.00314455/step Wall: 7659.04, 0.00314455/step, 2.24993 hours remaining, 236.371094 MB of memory in use. ENERGY: 2424200 3992.9231 20510.2890 14386.3334 258.6900 -203603.3305 3007.9833 0.0000 0.0000 51880.2835 -109566.8282 298.1567 -161447.1117 -109199.8047 298.7068 -96.4363 -64.1817 763469.4427 6.5635 6.7386 LDB: ============= START OF LOAD BALANCING ============== 7671.57 LDB: ============== END OF LOAD BALANCING =============== 7671.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7671.57 LDB: ============= START OF LOAD BALANCING ============== 7671.89 LDB: Largest compute 7068 load 0.029804 is 15.3% of average load 0.195423 LDB: Average compute 0.004396 is 2.2% of average load 0.195423 LDB: TIME 7671.89 LOAD: AVG 0.195423 MAX 0.214146 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.781 MB LDB: TIME 7671.89 LOAD: AVG 0.195423 MAX 0.214146 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.852 MB LDB: TIME 7671.89 LOAD: AVG 0.195423 MAX 0.214146 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.852 MB LDB: ============== END OF LOAD BALANCING =============== 7671.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7671.9 PRESSURE: 2424400 338.178 -81.805 110.034 -81.8059 33.7472 19.4256 110.035 19.4245 561.959 GPRESSURE: 2424400 324.551 -74.2095 160.281 -45.8284 64.9262 30.2359 -18.649 -16.8708 618.009 PRESSAVG: 2424400 70.4479 -17.7088 2.96132 -17.7088 -88.329 13.1453 2.96136 13.1453 4.54446 GPRESSAVG: 2424400 69.7435 -19.0137 1.04313 -17.3661 -86.7039 13.0072 3.21674 11.9093 4.02373 TIMING: 2424400 CPU: 7659.68, 0.00319363/step Wall: 7659.68, 0.00319363/step, 2.28487 hours remaining, 236.480469 MB of memory in use. ENERGY: 2424400 3928.8578 20508.2041 14415.1520 251.0541 -203720.5006 2928.4633 0.0000 0.0000 52125.5852 -109563.1843 299.5665 -161688.7695 -109204.2366 298.4878 311.2950 335.8287 762442.7161 -4.4455 -4.3122 PRESSURE: 2424600 -52.7355 -111.288 -43.6821 -111.289 -206.612 -37.1434 -43.6833 -37.1437 -233.723 GPRESSURE: 2424600 25.696 -77.173 12.0205 -114.909 -238.901 103.233 -31.6036 -94.3128 -203.28 PRESSAVG: 2424600 -3.40852 -34.5353 53.763 -34.5353 -5.40902 -2.67585 53.763 -2.67591 1.12731 GPRESSAVG: 2424600 -1.42649 -34.4173 54.547 -35.3387 -7.62123 -1.97207 53.0164 -2.04608 1.52718 TIMING: 2424600 CPU: 7660.31, 0.00313444/step Wall: 7660.31, 0.00313444/step, 2.24234 hours remaining, 236.683594 MB of memory in use. ENERGY: 2424600 3988.5817 20337.7796 14481.4565 262.1560 -203311.9797 2711.1500 0.0000 0.0000 51866.2074 -109664.6485 298.0758 -161530.8559 -109307.8652 298.6173 -164.3569 -138.8281 764558.5799 -2.5634 -2.5068 PRESSURE: 2424800 165.204 -71.6664 59.752 -71.667 67.4413 -329.72 59.752 -329.72 -201.366 GPRESSURE: 2424800 122.354 -53.6023 108.83 -170.334 154.647 -364.163 -19.1636 -213.69 -168.18 PRESSAVG: 2424800 34.1644 -9.22028 -29.4761 -9.22025 -23.9019 -12.97 -29.4761 -12.9699 -7.50029 GPRESSAVG: 2424800 32.7076 -8.3935 -28.3137 -8.31854 -22.9883 -13.7616 -28.6839 -14.612 -7.35912 TIMING: 2424800 CPU: 7660.93, 0.00313613/step Wall: 7660.93, 0.00313613/step, 2.24338 hours remaining, 236.683594 MB of memory in use. ENERGY: 2424800 3904.0704 20532.1682 14495.0747 248.1803 -203907.0860 3208.5903 0.0000 0.0000 51880.7073 -109638.2950 298.1591 -161519.0022 -109277.9145 297.9664 10.4264 36.2735 763953.5607 0.9207 0.7867 PRESSURE: 2425000 -158.234 -34.3658 146.429 -34.3658 -211.988 -262.476 146.43 -262.475 -235.478 GPRESSURE: 2425000 -174.704 22.8954 151.776 -59.3178 -162.304 -235.37 49.8121 -165.616 -168.378 PRESSAVG: 2425000 3.6346 -34.428 25.7233 -34.428 -12.3852 32.194 25.7233 32.194 -8.84782 GPRESSAVG: 2425000 3.62964 -33.7916 24.3873 -34.9065 -11.9324 33.3722 24.7302 34.2618 -9.43547 TIMING: 2425000 CPU: 7661.56, 0.00313842/step Wall: 7661.56, 0.00313842/step, 2.24484 hours remaining, 236.683594 MB of memory in use. ENERGY: 2425000 4006.1152 20411.8237 14439.6145 267.9116 -203144.6589 2517.2647 0.0000 0.0000 52018.1794 -109483.7498 298.9492 -161501.9292 -109134.7970 298.3623 -201.9001 -168.4620 764459.6876 -5.8661 -5.9128 PRESSURE: 2425200 204.685 63.8481 -48.4289 63.8488 211.552 162.388 -48.4292 162.388 161.253 GPRESSURE: 2425200 274.343 -15.7011 -85.5198 33.286 193.729 86.8979 53.7888 202.471 191.338 PRESSAVG: 2425200 24.8904 11.3007 30.8635 11.3006 -5.60377 -49.9209 30.8635 -49.9208 22.2591 GPRESSAVG: 2425200 24.5157 10.1285 32.5966 11.9302 -6.43911 -50.4756 30.5288 -51.6206 23.1341 TIMING: 2425200 CPU: 7662.19, 0.00316077/step Wall: 7662.19, 0.00316077/step, 2.26065 hours remaining, 236.683594 MB of memory in use. ENERGY: 2425200 3957.5744 20497.5565 14389.5023 255.8427 -202885.2956 2495.4392 0.0000 0.0000 52192.6717 -109096.7089 299.9520 -161289.3805 -108733.5305 298.8974 192.4966 219.8032 764345.6255 13.8486 13.7369 PRESSURE: 2425400 -38.052 -117.011 -20.7534 -117.011 -110.245 -35.0917 -20.7533 -35.0922 114.489 GPRESSURE: 2425400 -75.5979 -99.499 -77.843 -62.0863 -72.2156 -33.9629 -23.3675 23.8359 180.681 PRESSAVG: 2425400 20.9724 -3.23648 -31.2908 -3.23651 9.66087 14.3503 -31.2908 14.3504 4.41391 GPRESSAVG: 2425400 21.2256 -3.36353 -32.5363 -2.22724 10.8049 14.0691 -31.6593 14.4314 3.20938 TIMING: 2425400 CPU: 7662.83, 0.0031589/step Wall: 7662.83, 0.0031589/step, 2.25914 hours remaining, 236.683594 MB of memory in use. ENERGY: 2425400 4029.0641 20491.4953 14456.0479 245.7526 -202976.2114 2576.8871 0.0000 0.0000 52028.4275 -109148.5368 299.0081 -161176.9643 -108791.5227 299.5609 -11.2694 10.9559 765404.3012 11.6824 11.7466 PRESSURE: 2425600 -218.982 143.597 -63.1339 143.597 48.22 55.1392 -63.1347 55.1392 66.5452 GPRESSURE: 2425600 -135.015 124.971 48.0588 121.434 64.2032 176.793 -84.7294 -24.7326 49.8665 PRESSAVG: 2425600 42.8231 -32.6506 -59.0263 -32.6506 16.0822 -10.5247 -59.0263 -10.5246 8.79948 GPRESSAVG: 2425600 43.5294 -30.8282 -58.8401 -34.9992 14.6824 -8.86883 -59.5215 -12.3899 10.3028 TIMING: 2425600 CPU: 7663.46, 0.0031665/step Wall: 7663.46, 0.0031665/step, 2.2644 hours remaining, 236.683594 MB of memory in use. ENERGY: 2425600 4022.5461 20553.0251 14473.2886 241.4964 -203342.4609 2714.8166 0.0000 0.0000 51978.5319 -109358.7562 298.7213 -161337.2881 -108997.9174 298.7349 -34.7388 -6.9817 764067.9432 22.5683 22.8382 PRESSURE: 2425800 -121.826 -37.7223 -108.41 -37.7222 -83.6403 -67.2124 -108.41 -67.2128 173.153 GPRESSURE: 2425800 -29.3698 -152.366 -32.6927 -37.0208 -124.921 -9.30122 36.8633 -16.9622 214.784 PRESSAVG: 2425800 23.6012 28.8824 -39.0242 28.8825 -22.1475 3.84241 -39.0242 3.84245 -5.0228 GPRESSAVG: 2425800 24.3258 25.4353 -38.4866 29.1779 -22.5782 3.17799 -37.8596 6.55311 -5.90992 TIMING: 2425800 CPU: 7664.09, 0.00314748/step Wall: 7664.09, 0.00314748/step, 2.25062 hours remaining, 236.683594 MB of memory in use. ENERGY: 2425800 4058.2302 20357.9584 14483.5231 240.2817 -203267.3751 2746.0271 0.0000 0.0000 52179.8399 -109201.5147 299.8783 -161381.3546 -108843.2201 298.7713 -10.7709 20.1643 763371.9960 -1.1897 -1.3874 PRESSURE: 2426000 -104.572 -75.1729 -104.371 -75.1725 23.4783 49.3143 -104.371 49.3143 -332.62 GPRESSURE: 2426000 -50.9624 -24.0391 -69.0314 -62.2652 -65.3635 -32.6319 -109.915 -58.29 -226.585 PRESSAVG: 2426000 48.9787 -17.1023 -51.8947 -17.1022 -28.6506 -39.6209 -51.8946 -39.6209 19.7708 GPRESSAVG: 2426000 48.1659 -13.9992 -51.2525 -18.5392 -28.3209 -40.541 -51.1382 -39.8423 20.0896 TIMING: 2426000 CPU: 7664.72, 0.00313656/step Wall: 7664.72, 0.00313656/step, 2.24264 hours remaining, 236.683594 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: 2426000 4067.4393 20528.3130 14467.2238 252.1074 -203360.6261 2850.1360 0.0000 0.0000 52072.7223 -109122.6843 299.2627 -161195.4066 -108765.0473 299.0001 -137.9045 -114.3036 763595.4957 13.3663 13.3116 PRESSURE: 2426200 -35.9584 67.0622 134.388 67.062 -226.553 140.158 134.388 140.158 -535.926 GPRESSURE: 2426200 23.5997 74.9585 174.046 115.841 -198.233 197.308 150.309 92.1541 -501.8 PRESSAVG: 2426200 -12.0357 2.3364 -25.6823 2.33642 -35.5098 -23.8102 -25.6822 -23.8101 -7.18092 GPRESSAVG: 2426200 -11.5346 -0.0429738 -26.3362 3.69836 -35.2352 -24.1221 -27.6673 -22.4859 -7.6833 TIMING: 2426200 CPU: 7665.35, 0.00314857/step Wall: 7665.35, 0.00314857/step, 2.25106 hours remaining, 236.683594 MB of memory in use. ENERGY: 2426200 3950.5010 20467.8926 14422.0726 234.0629 -203208.1787 2892.8521 0.0000 0.0000 52103.8445 -109136.9532 299.4415 -161240.7976 -108770.6399 299.7642 -266.1458 -225.4776 763589.6857 -18.2421 -18.1510 PRESSURE: 2426400 219.257 310.759 17.6092 310.759 49.0805 -25.4097 17.6092 -25.4077 431.167 GPRESSURE: 2426400 264.372 187.357 35.655 322.028 199.715 70.8464 -9.24012 -60.1047 333.945 PRESSAVG: 2426400 -4.66014 18.7107 9.46157 18.7107 -9.25549 -8.96915 9.46153 -8.96918 -13.3077 GPRESSAVG: 2426400 -5.18609 21.2928 9.27941 17.1631 -9.35487 -7.56741 10.3267 -12.0348 -12.1888 TIMING: 2426400 CPU: 7665.98, 0.00317137/step Wall: 7665.98, 0.00317137/step, 2.26718 hours remaining, 236.683594 MB of memory in use. ENERGY: 2426400 4012.2126 20656.6870 14402.2067 251.9354 -203437.8194 2872.9121 0.0000 0.0000 52115.9612 -109125.9044 299.5111 -161241.8656 -108773.9481 299.6521 233.1682 266.0105 761879.0937 -9.0744 -8.9099 PRESSURE: 2426600 16.0881 119.354 169.553 119.354 34.5742 64.3244 169.553 64.3252 144.392 GPRESSURE: 2426600 100.382 52.8356 206.825 161.083 72.9158 88.3143 84.4472 103.413 87.153 PRESSAVG: 2426600 65.9897 29.474 5.62066 29.474 -46.8592 22.0643 5.62071 22.0642 22.5835 GPRESSAVG: 2426600 66.9572 28.5785 5.14734 31.1611 -47.543 23.4554 5.7469 21.1773 21.6009 TIMING: 2426600 CPU: 7666.61, 0.00316884/step Wall: 7666.61, 0.00316884/step, 2.26519 hours remaining, 236.683594 MB of memory in use. ENERGY: 2426600 4029.8688 20561.3911 14397.2862 254.1636 -203549.5275 2928.7212 0.0000 0.0000 52275.3288 -109102.7677 300.4270 -161378.0966 -108725.5390 299.9858 65.0181 86.8168 763382.1361 13.9047 13.6717 PRESSURE: 2426800 4.84411 37.8463 -47.8032 37.8459 -327.331 -11.8711 -47.8039 -11.8711 -213.192 GPRESSURE: 2426800 50.2649 39.2325 -76.0144 42.4843 -239.983 -5.92185 -9.35478 -52.8884 -259.847 PRESSAVG: 2426800 -28.4141 -36.1582 -12.6232 -36.1582 14.8964 -27.7879 -12.6232 -27.7878 7.68944 GPRESSAVG: 2426800 -29.4935 -34.196 -12.136 -37.3688 15.5957 -31.341 -12.4792 -26.8966 7.70947 TIMING: 2426800 CPU: 7667.24, 0.00314467/step Wall: 7667.24, 0.00314467/step, 2.24774 hours remaining, 236.683594 MB of memory in use. ENERGY: 2426800 4075.0117 20779.3694 14444.6855 228.1009 -202881.2108 2473.2190 0.0000 0.0000 51943.6053 -108937.2190 298.5206 -160880.8243 -108577.0422 299.6762 -178.5594 -149.8548 762831.4363 -1.9427 -2.0628 PRESSURE: 2427000 205.089 77.3352 -116.539 77.3348 -85.1074 -304.662 -116.539 -304.662 -86.4572 GPRESSURE: 2427000 197.369 67.4551 -71.0423 28.3013 3.69532 -279.256 35.0979 -226.556 -89.9373 PRESSAVG: 2427000 -16.5131 28.4451 -39.3368 28.4451 -22.2615 -31.8123 -39.3369 -31.8122 8.48733 GPRESSAVG: 2427000 -17.0487 25.336 -40.3477 29.1789 -21.2913 -30.2847 -37.8295 -32.7846 8.84593 TIMING: 2427000 CPU: 7667.87, 0.00313033/step Wall: 7667.87, 0.00313033/step, 2.23732 hours remaining, 236.683594 MB of memory in use. ENERGY: 2427000 3989.6799 20462.3701 14386.0312 241.6747 -202992.7147 2718.4405 0.0000 0.0000 52298.5703 -108895.9482 300.5606 -161194.5184 -108523.6762 299.9313 11.1748 37.0425 763216.4911 -10.0958 -9.8314 PRESSURE: 2427200 -272.186 159.982 -78.8216 159.982 10.6914 144.174 -78.8216 144.174 -181.799 GPRESSURE: 2427200 -214.882 164.814 -50.9939 179.893 -20.5462 156.381 -165.592 199.536 -130.398 PRESSAVG: 2427200 -0.488403 46.1846 -11.1395 46.1846 38.6844 13.9141 -11.1395 13.9141 5.32978 GPRESSAVG: 2427200 0.213375 48.6507 -10.4474 45.7171 37.3586 14.0079 -12.3496 13.4067 5.83942 TIMING: 2427200 CPU: 7668.5, 0.00314954/step Wall: 7668.5, 0.00314954/step, 2.25087 hours remaining, 236.683594 MB of memory in use. ENERGY: 2427200 4034.9708 20606.6339 14516.0536 223.3096 -203115.0469 2773.4828 0.0000 0.0000 52096.7901 -108863.8062 299.4010 -160960.5963 -108499.2345 300.2243 -147.7646 -121.9419 762788.0556 14.5086 14.4705 PRESSURE: 2427400 145.428 -88.3103 14.7638 -88.3104 -411.725 -163.226 14.7642 -163.227 -212.192 GPRESSURE: 2427400 174.592 -85.4325 -80.3154 -152.162 -314.382 -137.365 -32.2496 -166.682 -260.638 PRESSAVG: 2427400 -10.7329 10.4747 24.5598 10.4747 -9.01735 51.0495 24.5598 51.0494 -6.49613 GPRESSAVG: 2427400 -10.5559 10.0143 23.7718 9.73002 -8.20015 50.6468 22.487 52.7306 -7.09171 TIMING: 2427400 CPU: 7669.13, 0.00314608/step Wall: 7669.13, 0.00314608/step, 2.24822 hours remaining, 236.683594 MB of memory in use. ENERGY: 2427400 4058.4862 20530.3782 14448.3696 244.2310 -203092.7359 2661.7669 0.0000 0.0000 52397.1817 -108752.3224 301.1273 -161149.5041 -108398.9171 300.2422 -159.4963 -133.4761 762130.8290 -8.7488 -8.6159 PRESSURE: 2427600 88.0916 66.0447 165.223 66.0436 281.276 -214.836 165.223 -214.836 110.271 GPRESSURE: 2427600 94.5605 124.914 225.799 109.556 263.781 7.70214 232.816 -197.992 181.58 PRESSAVG: 2427600 35.3941 67.3473 -4.77093 67.3472 -48.8597 1.19799 -4.77088 1.198 2.54642 GPRESSAVG: 2427600 35.2067 66.6595 -3.51035 68.1571 -47.9706 3.08479 -4.11682 1.73716 1.95917 TIMING: 2427600 CPU: 7669.76, 0.00315116/step Wall: 7669.76, 0.00315116/step, 2.25168 hours remaining, 236.683594 MB of memory in use. ENERGY: 2427600 3960.1612 20530.0006 14454.2821 248.8171 -202668.7870 2662.1278 0.0000 0.0000 52201.1944 -108612.2037 300.0010 -160813.3981 -108259.4759 300.6703 159.8798 179.9738 763406.2455 -3.6397 -3.6016 PRESSURE: 2427800 41.3283 227.699 31.2416 227.699 -161.297 110.795 31.2412 110.795 246.454 GPRESSURE: 2427800 146.717 172.758 -57.7796 142.321 -170.881 60.8685 16.2155 143.072 235.523 PRESSAVG: 2427800 -27.0897 53.297 20.7119 53.2969 9.29282 -22.0187 20.712 -22.0186 14.0294 GPRESSAVG: 2427800 -27.6644 53.5357 20.0637 52.885 9.31585 -23.6368 21.2599 -19.1055 13.9877 TIMING: 2427800 CPU: 7670.39, 0.00314174/step Wall: 7670.39, 0.00314174/step, 2.24477 hours remaining, 236.683594 MB of memory in use. ENERGY: 2427800 3926.1742 20587.3654 14444.7517 255.9106 -202620.7336 2606.0576 0.0000 0.0000 52086.9894 -108713.4847 299.3446 -160800.4741 -108356.0464 300.3134 42.1617 70.4529 764124.4242 -1.2558 -1.4536 PRESSURE: 2428000 142.117 103.058 -115.795 103.058 -201.871 170.2 -115.794 170.2 79.2299 GPRESSURE: 2428000 174.286 83.8175 -108.363 138.558 -173.476 202.005 -65.8664 128.015 109.823 PRESSAVG: 2428000 40.0273 -0.457873 -24.2364 -0.457907 6.03668 -5.91486 -24.2363 -5.91485 -11.4207 GPRESSAVG: 2428000 41.1616 -0.699355 -24.7721 0.356256 4.53995 -6.12351 -25.4187 -8.21287 -10.9027 TIMING: 2428000 CPU: 7671.01, 0.00314206/step Wall: 7671.01, 0.00314206/step, 2.24482 hours remaining, 236.683594 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: 2428000 3965.9073 20518.1690 14480.8504 230.6126 -202601.4187 2504.4051 0.0000 0.0000 51982.4338 -108919.0405 298.7438 -160901.4743 -108561.7234 300.1786 6.4921 36.8778 761922.5252 11.5478 11.5996 PRESSURE: 2428200 -50.0718 -67.1574 -103.535 -67.1567 -287.351 -286.558 -103.535 -286.558 394.126 GPRESSURE: 2428200 37.6149 -86.599 -195.987 -5.7058 -255.732 -378.515 -86.0281 -177.806 351.066 PRESSAVG: 2428200 60.3124 8.29703 -32.4236 8.29697 -32.5616 3.36668 -32.4236 3.36667 -18.8386 GPRESSAVG: 2428200 59.9746 7.73653 -32.831 8.05665 -32.1919 3.52504 -29.2741 2.91204 -18.4738 TIMING: 2428200 CPU: 7671.64, 0.00314765/step Wall: 7671.64, 0.00314765/step, 2.24865 hours remaining, 236.683594 MB of memory in use. ENERGY: 2428200 4026.0783 20506.3283 14541.7690 238.0545 -203150.2855 2682.4713 0.0000 0.0000 52205.3988 -108950.1852 300.0251 -161155.5840 -108594.5343 299.7796 18.9012 44.3164 763521.4134 2.9707 3.1030 LDB: ============= START OF LOAD BALANCING ============== 7684.18 LDB: ============== END OF LOAD BALANCING =============== 7684.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7684.18 LDB: ============= START OF LOAD BALANCING ============== 7684.49 LDB: Largest compute 7026 load 0.030263 is 15.5% of average load 0.195439 LDB: Average compute 0.004390 is 2.2% of average load 0.195439 LDB: TIME 7684.5 LOAD: AVG 0.195439 MAX 0.215704 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.859 MB LDB: TIME 7684.5 LOAD: AVG 0.195439 MAX 0.215704 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: TIME 7684.5 LOAD: AVG 0.195439 MAX 0.215704 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: ============== END OF LOAD BALANCING =============== 7684.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7684.51 PRESSURE: 2428400 -82.9303 35.6299 132.575 35.6286 -69.9703 -153.71 132.575 -153.71 -249.128 GPRESSURE: 2428400 -80.5522 44.7131 50.7527 86.4129 -46.1208 -80.9059 149.706 14.5032 -194.79 PRESSAVG: 2428400 10.1903 7.24811 21.7375 7.24811 -6.80527 60.8613 21.7375 60.8614 15.4823 GPRESSAVG: 2428400 11.5707 6.56101 22.442 8.0742 -8.37355 60.059 19.8128 62.9909 15.7528 TIMING: 2428400 CPU: 7672.29, 0.00322247/step Wall: 7672.29, 0.00322247/step, 2.30192 hours remaining, 235.453125 MB of memory in use. ENERGY: 2428400 3942.9136 20545.8371 14465.4975 241.3138 -202850.1458 2483.7730 0.0000 0.0000 52336.5390 -108834.2718 300.7788 -161170.8109 -108467.1251 300.5164 -134.0094 -107.1544 763044.2893 6.2891 6.3167 PRESSURE: 2428600 41.0192 -37.6325 61.8528 -37.6323 50.5851 94.0873 61.8526 94.0869 -37.3546 GPRESSURE: 2428600 48.0498 -55.0088 112.785 -105.271 67.2802 101.178 -0.754503 76.954 4.85522 PRESSAVG: 2428600 -0.329582 -8.9512 -25.6505 -8.9512 26.9911 34.9099 -25.6505 34.9099 15.3633 GPRESSAVG: 2428600 -1.40829 -8.50761 -26.5126 -8.98667 28.0883 35.9809 -25.6401 31.9841 15.8163 TIMING: 2428600 CPU: 7672.92, 0.00314158/step Wall: 7672.92, 0.00314158/step, 2.24396 hours remaining, 235.453125 MB of memory in use. ENERGY: 2428600 3985.5552 20605.1243 14485.8082 260.8160 -203045.7460 2666.9397 0.0000 0.0000 51985.3283 -109056.1743 298.7604 -161041.5026 -108700.6601 300.0504 18.0832 40.0617 763758.1455 14.0083 14.1654 PRESSURE: 2428800 68.9836 -182.456 258.154 -182.456 -196.271 179.107 258.153 179.107 -50.7092 GPRESSURE: 2428800 21.0555 -316.861 226.328 -126.36 -95.0999 197.576 293.239 62.5415 -14.2644 PRESSAVG: 2428800 -21.025 -23.9059 39.6013 -23.9059 22.1337 -28.4368 39.6013 -28.4369 -26.6431 GPRESSAVG: 2428800 -21.2376 -23.0711 40.343 -24.278 22.4007 -27.432 38.9035 -26.3392 -27.0672 TIMING: 2428800 CPU: 7673.55, 0.0031469/step Wall: 7673.55, 0.0031469/step, 2.24759 hours remaining, 235.523438 MB of memory in use. ENERGY: 2428800 3969.7567 20460.7667 14488.1008 251.5463 -203050.7085 2566.2942 0.0000 0.0000 52141.1563 -109173.0875 299.6559 -161314.2438 -108814.8937 299.7683 -59.3322 -29.4363 763895.6812 -8.5115 -8.6347 PRESSURE: 2429000 -140.45 -103.111 -210.442 -103.111 -7.202 -48.0534 -210.442 -48.0535 -50.7728 GPRESSURE: 2429000 -18.563 -162.282 -185.65 -48.1683 -20.3091 -67.8521 -204.912 -9.64756 -75.1484 PRESSAVG: 2429000 -13.0725 8.81968 20.0545 8.81971 34.8167 -2.0344 20.0545 -2.0344 16.4434 GPRESSAVG: 2429000 -13.7075 9.17256 21.3131 8.74343 35.3213 -3.27325 20.3565 -1.63419 16.8471 TIMING: 2429000 CPU: 7674.17, 0.00313994/step Wall: 7674.17, 0.00313994/step, 2.24244 hours remaining, 235.726562 MB of memory in use. ENERGY: 2429000 3940.7264 20525.3310 14479.4086 258.1565 -203240.0138 2680.5306 0.0000 0.0000 52020.5728 -109335.2879 298.9629 -161355.8607 -108975.9777 298.9228 -66.1417 -38.0069 762517.4864 12.7292 12.8203 PRESSURE: 2429200 -336.528 90.8094 -7.7217 90.8086 16.4096 -72.1153 -7.72122 -72.1153 -267.853 GPRESSURE: 2429200 -299.713 132.979 -24.5095 134.568 2.72157 -137.089 -61.0497 -169.437 -210.871 PRESSAVG: 2429200 0.68271 14.6213 -33.4988 14.6213 3.31558 -9.65503 -33.4988 -9.65496 -10.3482 GPRESSAVG: 2429200 2.06365 14.4129 -34.6729 15.0385 2.45386 -9.95887 -34.1276 -10.3865 -11.0583 TIMING: 2429200 CPU: 7674.8, 0.0031312/step Wall: 7674.8, 0.0031312/step, 2.23602 hours remaining, 235.726562 MB of memory in use. ENERGY: 2429200 3967.7303 20348.9380 14456.6291 244.7652 -203217.2743 2675.0882 0.0000 0.0000 52059.7013 -109464.4221 299.1878 -161524.1234 -109102.7332 298.9529 -195.9904 -169.2873 764818.7442 -2.1166 -2.1803 PRESSURE: 2429400 -186.282 141.834 75.5523 141.835 6.75333 159.616 75.5527 159.617 22.0229 GPRESSURE: 2429400 -115.939 130.158 96.9837 137.161 71.0593 153.905 -0.681065 56.7877 -42.7049 PRESSAVG: 2429400 49.9037 45.5627 -46.1996 45.5628 -59.3619 -36.2761 -46.1997 -36.276 -12.533 GPRESSAVG: 2429400 48.7307 45.7778 -46.825 45.9344 -58.986 -34.9254 -43.6243 -39.3885 -12.1273 TIMING: 2429400 CPU: 7675.43, 0.00314626/step Wall: 7675.43, 0.00314626/step, 2.2466 hours remaining, 235.726562 MB of memory in use. ENERGY: 2429400 4017.6280 20473.3976 14415.4693 241.0866 -203574.7339 2814.6096 0.0000 0.0000 52104.9399 -109507.6028 299.4478 -161612.5427 -109143.0963 298.6496 -52.5020 -29.1950 762597.3661 -7.3304 -7.4609 PRESSURE: 2429600 4.97583 357.25 -127.872 357.25 -416.63 -113.014 -127.872 -113.014 -19.6947 GPRESSURE: 2429600 20.0783 214.54 -154.358 230.588 -347.584 -115.935 -114.956 -104.725 -16.2808 PRESSAVG: 2429600 5.881 24.7123 20.9218 24.7123 47.0331 26.3479 20.9219 26.348 20.8569 GPRESSAVG: 2429600 5.5321 21.0742 21.1274 25.7009 47.9445 25.4525 21.2909 28.1626 20.1626 TIMING: 2429600 CPU: 7676.05, 0.00312456/step Wall: 7676.05, 0.00312456/step, 2.23094 hours remaining, 235.726562 MB of memory in use. ENERGY: 2429600 4003.4490 20448.6585 14416.8517 232.4974 -203327.8589 2655.6176 0.0000 0.0000 51860.3249 -109710.4599 298.0420 -161570.7848 -109340.7149 298.7031 -143.7829 -114.5954 764089.7669 24.5903 24.5464 PRESSURE: 2429800 -534.126 203.93 -85.6498 203.93 360.441 119.423 -85.6495 119.422 232.2 GPRESSURE: 2429800 -462.602 175.916 -103.371 191.027 266.549 167.451 -103.785 -9.67639 332.185 PRESSAVG: 2429800 -77.3965 12.5785 -39.5971 12.5784 66.9731 -37.2413 -39.5971 -37.2413 -10.5495 GPRESSAVG: 2429800 -76.8974 14.6286 -40.3163 10.7986 66.2882 -35.8688 -40.501 -37.8797 -9.74947 TIMING: 2429800 CPU: 7676.68, 0.00314215/step Wall: 7676.68, 0.00314215/step, 2.24332 hours remaining, 235.726562 MB of memory in use. ENERGY: 2429800 4011.6260 20415.2987 14405.9340 252.8960 -203183.0200 2589.8182 0.0000 0.0000 51852.4906 -109654.9565 297.9970 -161507.4471 -109291.2522 297.9324 19.5051 45.3774 761311.5464 -6.9910 -6.7862 PRESSURE: 2430000 -73.8437 43.8556 100.229 43.8553 17.8245 290.045 100.228 290.045 379.525 GPRESSURE: 2430000 -11.9864 120.076 25.6943 52.0899 -29.7876 224.204 81.1955 142.926 428.788 PRESSAVG: 2430000 -38.0065 -26.9589 1.86531 -26.9589 10.8607 -18.565 1.86533 -18.565 -6.92295 GPRESSAVG: 2430000 -37.3753 -27.7085 3.57678 -24.3871 8.75227 -19.2227 1.74654 -18.2324 -5.11339 TIMING: 2430000 CPU: 7677.31, 0.003133/step Wall: 7677.31, 0.003133/step, 2.23661 hours remaining, 235.726562 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: 2430000 4021.5189 20577.7883 14499.8385 244.9747 -203086.5153 2287.0871 0.0000 0.0000 51856.5634 -109598.7444 298.0204 -161455.3078 -109243.4806 298.4094 107.8352 129.0047 761040.7663 -11.3563 -11.2455 PRESSURE: 2430200 -248.857 3.40797 -21.4931 3.40853 -284.406 115.013 -21.4923 115.012 142.83 GPRESSURE: 2430200 -243.571 -83.4455 -53.7265 28.4324 -130.674 113.881 -115.663 12.7079 77.4899 PRESSAVG: 2430200 -45.4359 -13.9015 7.40559 -13.9015 9.39562 -50.6879 7.40559 -50.688 35.8756 GPRESSAVG: 2430200 -46.7185 -14.5377 7.43509 -16.4637 11.8401 -51.674 7.27547 -50.9022 35.0169 TIMING: 2430200 CPU: 7677.94, 0.00313033/step Wall: 7677.94, 0.00313033/step, 2.23453 hours remaining, 235.726562 MB of memory in use. ENERGY: 2430200 4005.6844 20376.0682 14488.3518 258.7571 -202559.4060 1989.9805 0.0000 0.0000 52012.8696 -109427.6944 298.9187 -161440.5640 -109058.4312 298.5645 -130.1443 -98.9184 760325.1110 -0.0549 0.0461 PRESSURE: 2430400 29.9164 0.126709 -109.073 0.126708 -86.1286 -47.0884 -109.074 -47.0886 268.527 GPRESSURE: 2430400 99.7468 20.5067 -144.867 52.3775 -3.37073 -171.586 -72.8298 3.82243 202.231 PRESSAVG: 2430400 30.8178 -21.853 -4.76389 -21.853 -45.3437 -49.3627 -4.76387 -49.3626 -21.5953 GPRESSAVG: 2430400 30.3057 -19.995 -5.32382 -19.2113 -44.0617 -49.1055 -5.50331 -48.3317 -21.6724 TIMING: 2430400 CPU: 7678.56, 0.00314489/step Wall: 7678.56, 0.00314489/step, 2.24475 hours remaining, 235.726562 MB of memory in use. ENERGY: 2430400 3906.4609 20517.1349 14545.9383 247.1311 -203245.3716 2570.3065 0.0000 0.0000 52104.3564 -109354.0434 299.4445 -161458.3998 -108995.5816 298.1509 70.7717 99.5359 760440.9800 -12.0404 -11.8095 PRESSURE: 2430600 161.677 -102.826 -15.2649 -102.826 144.964 225.836 -15.265 225.836 -139.19 GPRESSURE: 2430600 181.811 -208.494 -71.8414 -86.1188 166.266 245.049 69.8054 216.794 -84.393 PRESSAVG: 2430600 -7.68248 -34.1552 -14.5847 -34.1551 21.7745 1.37435 -14.5847 1.37435 -3.33518 GPRESSAVG: 2430600 -5.74548 -35.6387 -14.8617 -35.9292 20.2154 0.20507 -13.2486 3.1512 -2.68775 TIMING: 2430600 CPU: 7679.19, 0.00314878/step Wall: 7679.19, 0.00314878/step, 2.24735 hours remaining, 235.726562 MB of memory in use. ENERGY: 2430600 4004.6145 20505.0716 14473.2880 230.4415 -202580.7625 2299.1129 0.0000 0.0000 51985.1276 -109083.1064 298.7592 -161068.2339 -108714.7605 299.1267 55.8169 87.8946 761820.5278 3.5856 3.9274 PRESSURE: 2430800 -315.263 2.15518 -18.7121 2.15533 131.263 41.9962 -18.7124 41.9967 318.292 GPRESSURE: 2430800 -180.873 -8.95851 20.7152 3.50202 116.09 74.7514 -39.4938 -115.304 266.266 PRESSAVG: 2430800 3.07859 -11.2628 -51.9663 -11.2628 -3.7646 0.844182 -51.9664 0.844208 -44.4781 GPRESSAVG: 2430800 2.76362 -9.14804 -51.2477 -10.0637 -3.65991 2.31462 -52.8838 -1.5685 -44.837 TIMING: 2430800 CPU: 7679.83, 0.00316762/step Wall: 7679.83, 0.00316762/step, 2.26063 hours remaining, 235.726562 MB of memory in use. ENERGY: 2430800 4015.8625 20581.1621 14406.9688 257.7410 -202960.1912 2409.3377 0.0000 0.0000 52247.0064 -109042.1127 300.2643 -161289.1191 -108680.2417 299.7303 44.7639 67.1609 761082.3881 -15.0547 -15.2444 PRESSURE: 2431000 240.725 151.919 14.1532 151.918 -154.493 -126.516 14.1531 -126.516 380.896 GPRESSURE: 2431000 208.193 140.753 12.419 83.5533 -40.925 -123.691 109.596 -183.193 360.636 PRESSAVG: 2431000 -45.7828 -64.5968 18.7 -64.5968 14.5519 44.2783 18.6999 44.2784 -3.26109 GPRESSAVG: 2431000 -45.6341 -65.5897 18.8045 -63.0274 13.9721 43.123 20.2386 43.8379 -2.52364 TIMING: 2431000 CPU: 7680.46, 0.00316483/step Wall: 7680.46, 0.00316483/step, 2.25846 hours remaining, 235.726562 MB of memory in use. ENERGY: 2431000 3935.1804 20434.3010 14481.7734 229.2665 -203298.7812 2769.6632 0.0000 0.0000 52315.7369 -109132.8599 300.6593 -161448.5967 -108762.5432 299.4017 155.7094 175.9682 760301.4165 -11.4973 -11.3952 PRESSURE: 2431200 282.413 -114.014 121.642 -114.014 -37.4053 -24.2796 121.642 -24.2799 219.936 GPRESSURE: 2431200 326.875 -131.921 53.2261 -134.713 4.30646 113.956 216.133 126.035 215.04 PRESSAVG: 2431200 22.8486 -32.2828 42.6798 -32.2828 2.62769 -12.8668 42.6797 -12.8668 -0.332599 GPRESSAVG: 2431200 21.6914 -31.4703 40.5455 -36.1562 3.8283 -11.4409 42.5554 -11.536 -0.597535 TIMING: 2431200 CPU: 7681.09, 0.0031485/step Wall: 7681.09, 0.0031485/step, 2.24663 hours remaining, 235.726562 MB of memory in use. ENERGY: 2431200 3943.4371 20497.2640 14500.3944 266.3447 -202807.2468 2552.1031 0.0000 0.0000 51934.5602 -109113.1433 298.4686 -161047.7035 -108748.9783 299.7003 154.9811 182.0738 761462.9231 8.3812 8.3074 PRESSURE: 2431400 59.3294 78.5913 -122.406 78.5915 -13.6609 -90.6222 -122.406 -90.6212 -393.335 GPRESSURE: 2431400 92.8306 120.77 -198.266 107.715 -62.5962 -106.538 -111.709 -196.179 -325.624 PRESSAVG: 2431400 -69.9227 25.6404 -10.2988 25.6404 53.7716 -47.9366 -10.2988 -47.9365 8.91419 GPRESSAVG: 2431400 -69.525 23.6736 -10.1489 27.4363 52.8075 -48.0704 -11.4095 -47.5737 8.99056 TIMING: 2431400 CPU: 7681.72, 0.00314445/step Wall: 7681.72, 0.00314445/step, 2.24357 hours remaining, 235.726562 MB of memory in use. ENERGY: 2431400 4039.0667 20457.1851 14513.2764 238.3445 -202991.8555 2524.5747 0.0000 0.0000 52128.6640 -109090.7441 299.5841 -161219.4081 -108733.4708 299.1574 -115.8887 -98.4633 762550.5726 -2.4123 -2.5757 PRESSURE: 2431600 351.735 -43.8261 139.578 -43.8257 373.899 219.989 139.577 219.989 -236.735 GPRESSURE: 2431600 338.135 6.47933 126.608 3.19787 385.957 276.639 228.854 197.286 -158.587 PRESSAVG: 2431600 59.0361 -13.6578 -15.3227 -13.6578 -31.0561 -1.42376 -15.3228 -1.42376 -5.91583 GPRESSAVG: 2431600 59.5488 -12.6539 -14.1149 -15.1178 -31.6685 -0.972049 -13.0709 -2.54007 -6.09804 TIMING: 2431600 CPU: 7682.35, 0.00315731/step Wall: 7682.35, 0.00315731/step, 2.25256 hours remaining, 235.726562 MB of memory in use. ENERGY: 2431600 4044.4067 20429.5463 14443.3816 229.0866 -203242.4989 2863.3996 0.0000 0.0000 51945.4781 -109287.2000 298.5314 -161232.6780 -108922.8138 299.0898 162.9663 188.5015 761999.4911 7.3547 7.2607 PRESSURE: 2431800 -60.3841 119.98 -27.566 119.979 242.497 92.8827 -27.5667 92.8835 308.706 GPRESSURE: 2431800 -40.1466 83.0985 -27.8778 40.3701 276.077 115.043 116.283 150.832 355.306 PRESSAVG: 2431800 19.2309 20.4205 -20.9754 20.4205 -8.69491 24.9017 -20.9753 24.9016 -28.5437 GPRESSAVG: 2431800 19.3916 21.9151 -22.0854 22.0697 -8.33641 24.1809 -20.6293 23.1392 -28.624 TIMING: 2431800 CPU: 7682.98, 0.00314685/step Wall: 7682.98, 0.00314685/step, 2.24493 hours remaining, 235.714844 MB of memory in use. ENERGY: 2431800 3990.7962 20563.0584 14469.6758 263.9094 -202811.6019 2379.5636 0.0000 0.0000 51990.0391 -109154.5595 298.7875 -161144.5986 -108801.7551 299.3766 163.6060 197.0786 761764.5335 -6.0026 -5.8563 PRESSURE: 2432000 -106.525 -307.034 -50.7078 -307.034 -218.783 -19.6444 -50.7083 -19.6449 -169.986 GPRESSURE: 2432000 -86.5021 -384.969 -86.7861 -266.508 -196.894 31.722 -83.9376 47.5318 -145.606 PRESSAVG: 2432000 0.859928 -22.827 27.2727 -22.8269 -17.3992 11.1135 27.2727 11.1135 13.1652 GPRESSAVG: 2432000 -0.567532 -24.8279 29.9511 -23.7315 -16.239 12.6766 25.6179 12.8133 13.3278 TIMING: 2432000 CPU: 7683.61, 0.0031497/step Wall: 7683.61, 0.0031497/step, 2.24679 hours remaining, 235.703125 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: 2432000 4012.6652 20691.3901 14481.7220 251.5424 -203275.4730 2571.2063 0.0000 0.0000 52116.7080 -109150.2390 299.5154 -161266.9470 -108798.0142 299.3478 -165.0980 -143.0008 761325.0033 -1.1247 -1.1595 PRESSURE: 2432200 -60.7191 228.062 160.724 228.062 -132.5 -103.659 160.724 -103.659 78.2396 GPRESSURE: 2432200 83.0724 242.788 115.147 81.3765 -152.325 -115.062 88.2277 -100.079 42.7941 PRESSAVG: 2432200 -15.0186 -9.67091 34.004 -9.67089 -30.5638 23.6819 34.004 23.6819 -24.9661 GPRESSAVG: 2432200 -13.3288 -9.0655 32.534 -10.9724 -31.5035 20.6052 33.0794 22.6723 -25.6424 TIMING: 2432200 CPU: 7684.24, 0.00315096/step Wall: 7684.24, 0.00315096/step, 2.24751 hours remaining, 235.703125 MB of memory in use. ENERGY: 2432200 3955.6189 20514.3342 14478.4304 249.6543 -203244.4106 2495.8085 0.0000 0.0000 52146.3907 -109404.1735 299.6860 -161550.5642 -109041.3123 299.8471 -38.3264 -8.8196 760055.3463 -23.5161 -23.4916 LDB: ============= START OF LOAD BALANCING ============== 7696.77 LDB: ============== END OF LOAD BALANCING =============== 7696.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7696.77 LDB: ============= START OF LOAD BALANCING ============== 7697.09 LDB: Largest compute 7077 load 0.030194 is 15.4% of average load 0.195493 LDB: Average compute 0.004397 is 2.2% of average load 0.195493 LDB: TIME 7697.09 LOAD: AVG 0.195493 MAX 0.215432 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.246 MB LDB: TIME 7697.09 LOAD: AVG 0.195493 MAX 0.215432 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: TIME 7697.09 LOAD: AVG 0.195493 MAX 0.215432 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: ============== END OF LOAD BALANCING =============== 7697.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7697.1 PRESSURE: 2432400 -3.14241 79.3292 231.058 79.3295 -215.819 5.56396 231.058 5.56534 -140.026 GPRESSURE: 2432400 33.681 16.9798 245.098 -2.20316 -225.114 -48.4124 126.919 -57.1659 -72.9741 PRESSAVG: 2432400 19.3724 38.348 12.7153 38.3481 -17.9646 -14.5342 12.7152 -14.5342 25.8812 GPRESSAVG: 2432400 19.6587 39.5922 11.9787 38.4893 -18.0652 -12.8064 13.6091 -13.6393 25.8958 TIMING: 2432400 CPU: 7684.88, 0.00320791/step Wall: 7684.88, 0.00320791/step, 2.28795 hours remaining, 235.386719 MB of memory in use. ENERGY: 2432400 3936.1423 20484.3588 14407.3722 244.8219 -203264.2306 2546.8236 0.0000 0.0000 51985.5329 -109659.1790 298.7616 -161644.7118 -109293.7674 299.4240 -119.6622 -88.1355 761424.9866 9.0963 9.1631 PRESSURE: 2432600 46.675 123.333 125.834 123.333 -300.663 -232.94 125.835 -232.939 -144.612 GPRESSURE: 2432600 152.265 137.09 131.161 156.124 -289.404 -273.036 155.781 -242.369 -204.131 PRESSAVG: 2432600 104.802 12.475 37.5125 12.475 -70.1395 -8.76921 37.5126 -8.7692 -4.90509 GPRESSAVG: 2432600 104.085 12.2875 37.1827 14.2197 -70.5498 -9.5472 39.0568 -10.4227 -4.2105 TIMING: 2432600 CPU: 7685.51, 0.00313411/step Wall: 7685.51, 0.00313411/step, 2.23514 hours remaining, 235.386719 MB of memory in use. ENERGY: 2432600 3984.2123 20531.1877 14467.0260 236.6512 -203587.0462 2966.7399 0.0000 0.0000 51762.5193 -109638.7098 297.4799 -161401.2291 -109275.7877 298.4120 -132.8665 -113.7566 761878.3967 9.9190 9.7748 PRESSURE: 2432800 198.23 -184.747 -7.58455 -184.747 -39.0998 64.0816 -7.58475 64.0794 299.761 GPRESSURE: 2432800 115.04 -51.9323 80.4454 -64.3026 112.625 145.237 -38.1875 52.0639 319.087 PRESSAVG: 2432800 51.649 -6.01886 -2.33877 -6.01892 2.84408 37.2423 -2.33877 37.2422 12.7928 GPRESSAVG: 2432800 50.7567 -5.67694 -2.01569 -6.30911 3.27484 38.4067 -3.46382 36.5446 13.2383 TIMING: 2432800 CPU: 7686.14, 0.00314745/step Wall: 7686.14, 0.00314745/step, 2.24448 hours remaining, 235.386719 MB of memory in use. ENERGY: 2432800 3985.1774 20491.1627 14421.3537 247.7252 -203547.5583 2741.2909 0.0000 0.0000 51955.1245 -109705.7239 298.5868 -161660.8483 -109346.8241 298.3513 152.9636 182.2505 761936.4335 22.4286 22.4233 PRESSURE: 2433000 55.8316 235.76 -65.0497 235.76 -146.254 -1.98908 -65.0492 -1.98834 256.075 GPRESSURE: 2433000 58.8527 243.104 -126.345 145.341 -30.3898 24.035 -133.562 19.8507 203.546 PRESSAVG: 2433000 44.7611 5.5507 17.141 5.55065 -55.5383 21.9604 17.1409 21.9604 0.498463 GPRESSAVG: 2433000 45.9958 4.29656 18.5874 5.12097 -57.2381 21.2291 16.2608 24.47 0.804239 TIMING: 2433000 CPU: 7686.77, 0.00313352/step Wall: 7686.77, 0.00313352/step, 2.23438 hours remaining, 235.511719 MB of memory in use. ENERGY: 2433000 3981.4381 20523.6447 14447.9245 235.8957 -203303.2976 2558.3077 0.0000 0.0000 52000.7884 -109555.2986 298.8492 -161556.0870 -109192.9220 298.3536 55.2177 77.3361 760933.6065 -3.4262 -3.4794 PRESSURE: 2433200 128.896 -83.2783 268.924 -83.2779 -338.419 112.524 268.924 112.524 -7.88247 GPRESSURE: 2433200 155.745 53.5155 295.097 -63.1787 -270.56 72.7408 306.101 105.105 -4.42125 PRESSAVG: 2433200 72.3943 -20.8425 -27.1659 -20.8425 -57.0927 14.3368 -27.1659 14.3368 9.49647 GPRESSAVG: 2433200 72.7474 -18.5906 -28.4185 -22.5827 -56.6558 13.6684 -26.5134 15.7066 8.58289 TIMING: 2433200 CPU: 7687.4, 0.00315354/step Wall: 7687.4, 0.00315354/step, 2.24847 hours remaining, 235.511719 MB of memory in use. ENERGY: 2433200 3889.8981 20498.1241 14447.0262 263.0094 -203239.3815 2530.3885 0.0000 0.0000 52057.3188 -109553.6165 299.1741 -161610.9353 -109190.7916 298.5353 -72.4686 -39.7452 761318.2847 8.2660 8.2248 PRESSURE: 2433400 -33.0515 128.853 -30.2499 128.854 32.0425 -240.871 -30.2509 -240.872 294.07 GPRESSURE: 2433400 -24.6386 122.304 -27.7771 -15.0808 25.6502 -217.131 -60.8112 -216.317 383.91 PRESSAVG: 2433400 17.8528 -35.631 21.8972 -35.6311 -26.0093 -49.7759 21.8972 -49.776 -13.6654 GPRESSAVG: 2433400 17.4678 -34.2161 20.7033 -35.8643 -25.5941 -48.7352 23.1291 -52.1192 -13.4553 TIMING: 2433400 CPU: 7688.03, 0.0031536/step Wall: 7688.03, 0.0031536/step, 2.24834 hours remaining, 235.511719 MB of memory in use. ENERGY: 2433400 3922.6592 20451.2247 14460.1871 249.4422 -203605.5454 3008.4062 0.0000 0.0000 51943.4008 -109570.2253 298.5194 -161513.6261 -109206.5980 298.4045 97.6869 128.3071 760953.2139 -7.2740 -7.1939 PRESSURE: 2433600 82.2284 90.144 -41.6677 90.1444 -99.939 -158.511 -41.6676 -158.512 -148.743 GPRESSURE: 2433600 93.0867 -85.8536 -92.2625 152.419 -75.2272 -199.756 -3.06282 -188.405 -109.674 PRESSAVG: 2433600 -14.0938 26.1498 -17.3007 26.1498 -7.92671 -15.0964 -17.3008 -15.0965 19.7605 GPRESSAVG: 2433600 -14.4648 24.4103 -16.8388 26.8978 -7.55626 -15.4696 -18.9857 -13.1935 20.3268 TIMING: 2433600 CPU: 7688.66, 0.00314839/step Wall: 7688.66, 0.00314839/step, 2.24445 hours remaining, 235.511719 MB of memory in use. ENERGY: 2433600 4016.4631 20469.4366 14436.6675 245.4983 -203114.4746 2441.8236 0.0000 0.0000 51991.9153 -109512.6702 298.7983 -161504.5856 -109163.1300 298.4109 -55.4846 -30.6047 760971.3113 -0.7533 -0.5647 PRESSURE: 2433800 264.139 122.168 -79.0232 122.168 219.493 -188.81 -79.0225 -188.811 114.013 GPRESSURE: 2433800 264.316 88.8485 -39.6768 -18.0118 287.189 -174.504 -72.6258 -153.034 132.94 PRESSAVG: 2433800 -42.6591 17.1709 -29.876 17.171 24.9922 23.6572 -29.876 23.6572 9.54044 GPRESSAVG: 2433800 -41.6205 17.8109 -29.8544 15.8252 24.694 24.3142 -27.7676 21.6837 9.43697 TIMING: 2433800 CPU: 7689.29, 0.00314598/step Wall: 7689.29, 0.00314598/step, 2.24256 hours remaining, 235.726562 MB of memory in use. ENERGY: 2433800 4011.8177 20322.8385 14457.6626 242.2882 -203255.8014 2784.5777 0.0000 0.0000 52233.8957 -109202.7211 300.1889 -161436.6168 -108828.0924 299.2987 199.2148 228.1485 761552.9323 -2.7088 -2.4965 PRESSURE: 2434000 -38.6384 -277.799 36.3109 -277.799 277.748 20.9515 36.3104 20.9511 -1.17516 GPRESSURE: 2434000 49.0992 -212.34 33.4574 -91.8661 314.844 30.0698 -6.24815 58.7467 -70.6816 PRESSAVG: 2434000 23.4207 -71.5239 -43.0076 -71.5239 -3.87372 13.0152 -43.0075 13.0153 -2.81153 GPRESSAVG: 2434000 23.8628 -72.7337 -42.8058 -68.5436 -4.14949 11.5761 -45.2021 13.8358 -2.88451 TIMING: 2434000 CPU: 7689.91, 0.00313263/step Wall: 7689.91, 0.00313263/step, 2.23287 hours remaining, 235.726562 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: 2434000 3983.8587 20431.9890 14458.8757 252.3437 -203201.1571 2718.9253 0.0000 0.0000 52199.0900 -109156.0747 299.9889 -161355.1647 -108793.4034 299.8907 79.3115 97.7538 763030.5663 5.5785 5.6096 PRESSURE: 2434200 -72.311 203.388 50.0583 203.387 -110.204 -35.4905 50.058 -35.4903 296.814 GPRESSURE: 2434200 15.7544 96.6742 -37.9044 218.082 -132.778 -141.593 108.145 4.81099 297.241 PRESSAVG: 2434200 -0.328229 -8.82325 -52.9077 -8.82329 -11.4396 12.8606 -52.9078 12.8605 0.684568 GPRESSAVG: 2434200 -0.260295 -9.17531 -53.0563 -9.46599 -11.4147 13.5461 -51.7873 12.3424 0.41779 TIMING: 2434200 CPU: 7690.54, 0.00313346/step Wall: 7690.54, 0.00313346/step, 2.23329 hours remaining, 235.726562 MB of memory in use. ENERGY: 2434200 4050.6679 20493.4286 14427.1710 228.5061 -203309.1637 2806.8474 0.0000 0.0000 52284.8380 -109017.7046 300.4817 -161302.5427 -108658.7971 299.9937 38.0999 60.0725 762032.1497 -3.6944 -3.7524 PRESSURE: 2434400 78.8545 185.638 -33.2147 185.637 247.714 16.595 -33.215 16.5944 90.8094 GPRESSURE: 2434400 97.689 96.4748 -43.7775 289.735 272.81 89.7049 -53.1339 -21.7122 114.556 PRESSAVG: 2434400 -15.6094 43.6066 -7.79484 43.6066 -11.5555 22.404 -7.79487 22.4039 -13.0232 GPRESSAVG: 2434400 -15.1873 44.3417 -7.48121 41.613 -12.0478 23.4492 -7.75157 23.0668 -13.112 TIMING: 2434400 CPU: 7691.17, 0.00315604/step Wall: 7691.17, 0.00315604/step, 2.24921 hours remaining, 235.726562 MB of memory in use. ENERGY: 2434400 4000.5099 20556.7755 14557.1606 259.3046 -203237.5142 2629.1622 0.0000 0.0000 52198.3507 -109036.2507 299.9846 -161234.6014 -108675.3207 300.3135 139.1260 161.6852 760962.3003 -13.3960 -13.4490 PRESSURE: 2434600 -73.2875 62.3048 -24.1175 62.3046 25.3699 110.821 -24.1174 110.82 -295.248 GPRESSURE: 2434600 -33.2659 -11.8434 4.42536 52.632 -27.9508 86.1566 31.7639 39.7987 -183.317 PRESSAVG: 2434600 -21.309 30.4718 3.18438 30.4718 -41.0528 -6.61423 3.18437 -6.61424 2.65192 GPRESSAVG: 2434600 -22.9058 28.8561 3.28497 33.2808 -40.5759 -7.55375 2.37649 -5.59485 3.87276 TIMING: 2434600 CPU: 7691.8, 0.00315289/step Wall: 7691.8, 0.00315289/step, 2.24679 hours remaining, 235.726562 MB of memory in use. ENERGY: 2434600 4002.1847 20634.9075 14480.2841 263.4715 -202939.8565 2424.5561 0.0000 0.0000 52082.8160 -109051.6365 299.3207 -161134.4525 -108693.1805 299.6107 -114.3887 -81.5114 762616.9971 -19.9033 -19.8696 PRESSURE: 2434800 152.468 -54.9157 110.922 -54.9157 -18.5471 13.124 110.923 13.1249 -290.146 GPRESSURE: 2434800 149.672 -0.646969 124.111 36.335 53.2857 -42.6574 -21.079 26.2927 -270.63 PRESSAVG: 2434800 23.5354 -13.4482 -48.8957 -13.4481 -56.9227 49.7446 -48.8957 49.7446 10.1414 GPRESSAVG: 2434800 22.7626 -11.4719 -49.6392 -14.0461 -54.0703 49.2745 -49.0054 49.9913 8.14337 TIMING: 2434800 CPU: 7692.43, 0.00313252/step Wall: 7692.43, 0.00313252/step, 2.23209 hours remaining, 235.726562 MB of memory in use. ENERGY: 2434800 4016.0602 20443.6677 14518.8994 242.7705 -203476.4035 2928.4762 0.0000 0.0000 52179.9695 -109146.5599 299.8790 -161326.5294 -108781.4918 299.3218 -52.0750 -22.5576 764571.9465 -7.7486 -7.7214 PRESSURE: 2435000 16.0536 154.034 -75.2264 154.035 193.984 78.9205 -75.2265 78.92 144.569 GPRESSURE: 2435000 99.2743 27.6752 -84.2528 75.3939 256.417 102.624 -48.4973 110.48 83.3727 PRESSAVG: 2435000 -2.02364 -0.322489 -29.4001 -0.322519 50.9834 28.4489 -29.4002 28.4488 -0.0980286 GPRESSAVG: 2435000 -0.134704 1.17329 -28.4007 -0.797011 47.6508 27.8002 -29.7309 26.5858 1.11774 TIMING: 2435000 CPU: 7693.06, 0.00314985/step Wall: 7693.06, 0.00314985/step, 2.24427 hours remaining, 235.726562 MB of memory in use. ENERGY: 2435000 4033.2561 20516.0438 14473.6771 225.3696 -203127.8097 2785.2408 0.0000 0.0000 52043.6317 -109050.5906 299.0955 -161094.2223 -108685.0341 299.3110 118.2023 146.3546 763738.6929 16.2872 16.2113 PRESSURE: 2435200 -291.791 69.9784 61.7459 69.9783 -201.6 137.562 61.7456 137.561 -149.815 GPRESSURE: 2435200 -299.91 104.969 56.552 61.8962 -190.195 163.521 37.2997 91.238 -72.8938 PRESSAVG: 2435200 0.755215 -25.4304 47.4973 -25.4304 -8.87301 26.9528 47.4973 26.9528 11.1189 GPRESSAVG: 2435200 -0.191501 -26.2563 48.2194 -25.0795 -7.2983 29.8126 47.4966 28.3632 10.6847 TIMING: 2435200 CPU: 7693.68, 0.00312552/step Wall: 7693.68, 0.00312552/step, 2.22676 hours remaining, 235.726562 MB of memory in use. ENERGY: 2435200 3899.0672 20402.5116 14506.3311 241.8885 -202591.1765 2372.0210 0.0000 0.0000 51981.4334 -109187.9238 298.7380 -161169.3571 -108823.9692 299.3624 -214.4018 -187.6662 763668.7290 1.0004 1.0650 PRESSURE: 2435400 -62.6995 -29.6343 102.402 -29.6355 -90.6803 -52.1025 102.402 -52.1021 -3.83181 GPRESSURE: 2435400 -134.235 -89.6827 126.013 62.6014 -14.7671 -43.1156 75.0264 28.1932 68.9526 PRESSAVG: 2435400 -64.6805 -12.6844 9.58521 -12.6843 70.0215 36.8502 9.58521 36.8503 23.3237 GPRESSAVG: 2435400 -64.6361 -13.3671 9.65636 -11.8747 68.9515 35.6028 9.51908 35.3056 24.2001 TIMING: 2435400 CPU: 7694.31, 0.00313521/step Wall: 7694.31, 0.00313521/step, 2.23349 hours remaining, 235.726562 MB of memory in use. ENERGY: 2435400 4031.8827 20497.5930 14507.0906 235.1760 -203538.4043 2968.8123 0.0000 0.0000 52288.3419 -109009.5078 300.5018 -161297.8497 -108659.5164 299.5766 -52.4039 -26.6831 761524.5023 9.5549 9.5052 PRESSURE: 2435600 62.4254 53.4784 104.778 53.4784 -134.023 245.917 104.778 245.918 -36.921 GPRESSURE: 2435600 56.4471 7.49675 29.2584 -4.83459 -113.246 248.439 243.72 220.829 8.53917 PRESSAVG: 2435600 -51.4936 20.0959 67.8812 20.0958 22.8431 24.2334 67.8812 24.2333 -1.97043 GPRESSAVG: 2435600 -52.0071 20.6426 66.0268 21.1363 23.4997 24.4927 69.4545 26.7628 -2.45631 TIMING: 2435600 CPU: 7694.94, 0.00313909/step Wall: 7694.94, 0.00313909/step, 2.23608 hours remaining, 235.726562 MB of memory in use. ENERGY: 2435600 4043.7566 20534.4352 14479.2829 228.8282 -203134.1131 2585.4009 0.0000 0.0000 52072.0571 -109190.3522 299.2588 -161262.4094 -108840.0712 299.7821 -36.1728 -16.0866 762306.2858 -10.2070 -10.3212 PRESSURE: 2435800 6.44053 128.679 270.099 128.679 -101.344 149.479 270.1 149.48 -158.795 GPRESSURE: 2435800 6.35558 3.17773 279.787 117.787 32.4627 87.0508 349.951 106.691 -209.179 PRESSAVG: 2435800 -10.0547 4.87372 70.5945 4.87375 32.1531 -20.9475 70.5945 -20.9475 15.5936 GPRESSAVG: 2435800 -9.9931 4.39554 70.2122 3.51359 32.6231 -20.7939 72.8227 -22.1743 15.047 TIMING: 2435800 CPU: 7695.56, 0.00311376/step Wall: 7695.56, 0.00311376/step, 2.21786 hours remaining, 235.726562 MB of memory in use. ENERGY: 2435800 3947.2813 20539.5057 14469.3190 270.0063 -202900.2437 2605.2251 0.0000 0.0000 51870.5522 -109198.3540 298.1008 -161068.9063 -108830.2487 299.6187 -84.5661 -56.7867 762556.8768 12.5640 12.5590 PRESSURE: 2436000 -83.8702 -48.9959 79.4498 -48.9956 -162.421 52.7912 79.4491 52.7917 -75.0579 GPRESSURE: 2436000 -8.15629 -41.566 55.5852 -70.1319 -156.178 13.1792 -43.7925 27.2258 -76.2943 PRESSAVG: 2436000 28.4189 -60.5601 7.77663 -60.5601 -19.6248 19.5743 7.77665 19.5743 -6.48067 GPRESSAVG: 2436000 30.1427 -62.4752 8.51979 -59.4726 -20.0947 18.3117 5.24256 19.8185 -7.50661 TIMING: 2436000 CPU: 7696.18, 0.00312362/step Wall: 7696.18, 0.00312362/step, 2.22471 hours remaining, 235.726562 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: 2436000 3981.9562 20552.0309 14562.0076 244.3645 -203042.8584 2489.3423 0.0000 0.0000 51872.5309 -109340.6259 298.1121 -161213.1569 -108994.0354 298.8961 -107.1163 -80.2095 763101.8028 0.7711 0.8471 PRESSURE: 2436200 107.516 278.856 109.933 278.857 -197.131 -141.979 109.932 -141.979 110.397 GPRESSURE: 2436200 276.189 308.983 143.898 195.609 -222.053 -182.687 246.427 -85.143 59.8877 PRESSAVG: 2436200 19.5515 -58.0326 46.5369 -58.0326 -9.06998 -24.4347 46.5369 -24.4347 -0.366366 GPRESSAVG: 2436200 18.9004 -55.0573 45.6007 -58.8841 -9.92966 -23.4542 45.4577 -25.5013 1.53838 TIMING: 2436200 CPU: 7696.81, 0.0031289/step Wall: 7696.81, 0.0031289/step, 2.2283 hours remaining, 235.726562 MB of memory in use. ENERGY: 2436200 3996.5917 20396.2221 14553.3883 239.7918 -203317.1810 2516.4705 0.0000 0.0000 52061.0293 -109553.6874 299.1955 -161614.7167 -109201.3324 298.5837 6.9273 38.0081 761238.8574 3.3717 3.5031 LDB: ============= START OF LOAD BALANCING ============== 7709.34 LDB: ============== END OF LOAD BALANCING =============== 7709.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7709.34 LDB: ============= START OF LOAD BALANCING ============== 7709.66 LDB: Largest compute 7068 load 0.029915 is 15.3% of average load 0.195501 LDB: Average compute 0.004395 is 2.2% of average load 0.195501 LDB: TIME 7709.66 LOAD: AVG 0.195501 MAX 0.215054 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.281 MB LDB: TIME 7709.66 LOAD: AVG 0.195501 MAX 0.215054 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.32 MB LDB: TIME 7709.66 LOAD: AVG 0.195501 MAX 0.215054 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.32 MB LDB: ============== END OF LOAD BALANCING =============== 7709.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7709.67 PRESSURE: 2436400 -253.515 36.8773 -125.528 36.8781 -58.8212 156.821 -125.528 156.822 -137.823 GPRESSURE: 2436400 -253.65 109.284 -34.9216 83.8837 -37.1837 141.721 -145.032 67.5756 -87.5031 PRESSAVG: 2436400 -21.3006 -58.2159 58.3931 -58.2159 33.6664 -39.5812 58.3932 -39.5811 11.5899 GPRESSAVG: 2436400 -21.6206 -59.6679 59.5067 -59.7729 33.7776 -40.4054 58.2123 -38.3831 12.0609 TIMING: 2436400 CPU: 7697.45, 0.00320053/step Wall: 7697.45, 0.00320053/step, 2.27913 hours remaining, 234.433594 MB of memory in use. ENERGY: 2436400 3983.9486 20557.9220 14522.2772 251.7092 -203259.8270 2445.4176 0.0000 0.0000 51728.9615 -109769.5910 297.2871 -161498.5525 -109415.0947 298.5139 -150.0532 -126.1122 762056.3624 7.9852 8.0726 PRESSURE: 2436600 347.469 -124.49 -1.2717 -124.49 -352.833 71.9587 -1.27139 71.9592 219.746 GPRESSURE: 2436600 288.389 -116.56 4.16502 -31.2955 -209.309 21.3959 -36.7195 81.4316 235.46 PRESSAVG: 2436600 -3.01161 -8.59409 6.53417 -8.59406 -59.8078 26.759 6.53421 26.7589 -7.09959 GPRESSAVG: 2436600 -2.65467 -9.4223 7.38296 -7.17227 -59.6894 27.3003 6.98824 27.0837 -8.36711 TIMING: 2436600 CPU: 7698.07, 0.00312295/step Wall: 7698.07, 0.00312296/step, 2.22372 hours remaining, 234.433594 MB of memory in use. ENERGY: 2436600 3987.9548 20474.8234 14528.8681 277.7010 -203510.3861 2764.6756 0.0000 0.0000 51809.4938 -109666.8693 297.7499 -161476.3632 -109313.5419 298.2601 71.4609 104.8464 762916.9731 -23.3063 -23.5704 PRESSURE: 2436800 -182.827 74.5971 -73.846 74.5969 -243.622 43.4384 -73.8451 43.4384 -375.977 GPRESSURE: 2436800 -180.651 152.253 -84.2319 21.7966 -221.536 42.2506 -70.8807 -58.0614 -287.325 PRESSAVG: 2436800 40.2792 -8.23153 -23.3723 -8.23159 -22.3708 24.3494 -23.3722 24.3494 -17.0313 GPRESSAVG: 2436800 39.0124 -5.24183 -25.3819 -9.90625 -21.6458 25.1046 -21.9259 21.819 -16.2272 TIMING: 2436800 CPU: 7698.7, 0.00313478/step Wall: 7698.7, 0.00313478/step, 2.23196 hours remaining, 234.433594 MB of memory in use. ENERGY: 2436800 4026.3587 20675.3944 14469.5292 262.2895 -202977.7626 2206.0708 0.0000 0.0000 51818.5458 -109519.5743 297.8019 -161338.1201 -109162.5864 298.5822 -267.4754 -229.8373 762260.1573 0.2924 0.3798 PRESSURE: 2437000 -51.4885 -38.0757 50.7146 -38.0761 -158.603 172.277 50.7139 172.276 74.1246 GPRESSURE: 2437000 76.3772 -82.4485 -84.5283 44.2444 -116.796 152.691 -11.6773 233.311 -3.66855 PRESSAVG: 2437000 37.3849 66.1696 -14.5849 66.1697 -23.949 -0.0353884 -14.5849 -0.0352951 15.1237 GPRESSAVG: 2437000 38.9668 64.248 -14.0362 65.7551 -24.468 -1.65918 -15.566 3.34589 13.8658 TIMING: 2437000 CPU: 7699.33, 0.00316063/step Wall: 7699.33, 0.00316063/step, 2.25019 hours remaining, 234.503906 MB of memory in use. ENERGY: 2437000 3864.0034 20588.6945 14487.4463 248.6374 -203130.1158 2566.9326 0.0000 0.0000 51927.1005 -109447.3011 298.4258 -161374.4016 -109085.0480 298.7703 -45.3224 -14.6957 762454.1939 9.5199 9.4549 PRESSURE: 2437200 521.422 257.955 -374.932 257.955 230.517 146.778 -374.931 146.779 43.8527 GPRESSURE: 2437200 455.433 244.062 -308.797 189.822 239.588 144.364 -267.94 42.3189 174.934 PRESSAVG: 2437200 50.7547 -28.6197 -47.2461 -28.6197 -42.3856 -31.6764 -47.2461 -31.6764 -10.1418 GPRESSAVG: 2437200 48.5111 -26.9032 -46.4345 -27.5156 -41.149 -30.3102 -44.7527 -34.2841 -8.99449 TIMING: 2437200 CPU: 7699.97, 0.0031628/step Wall: 7699.97, 0.0031628/step, 2.25156 hours remaining, 234.503906 MB of memory in use. ENERGY: 2437200 3991.1618 20425.9405 14468.7987 244.2338 -203353.0337 2713.7381 0.0000 0.0000 51991.9071 -109517.2538 298.7982 -161509.1609 -109150.2114 298.9596 265.2641 289.9851 759353.3395 -0.5909 -0.5441 PRESSURE: 2437400 98.1711 9.1398 -170.444 9.13917 230.837 99.0475 -170.444 99.0469 6.93823 GPRESSURE: 2437400 145.252 39.2231 -158.034 -118.891 194.892 3.24117 -71.7547 149.648 76.076 PRESSAVG: 2437400 48.7463 30.2445 -30.2383 30.2445 -74.0186 29.252 -30.2383 29.2519 -2.43243 GPRESSAVG: 2437400 50.084 30.9066 -30.6617 28.5605 -75.5366 28.8898 -32.0477 30.3856 -2.68377 TIMING: 2437400 CPU: 7700.59, 0.00314101/step Wall: 7700.59, 0.00314101/step, 2.23587 hours remaining, 234.503906 MB of memory in use. ENERGY: 2437400 3957.1105 20527.6853 14515.2756 246.5906 -203452.9697 2862.2709 0.0000 0.0000 51974.6164 -109369.4204 298.6988 -161344.0367 -109006.2490 299.1827 111.9821 138.7400 759140.9008 -9.2349 -9.3788 PRESSURE: 2437600 164.957 208.536 -148.28 208.536 145.43 247.17 -148.281 247.169 231.538 GPRESSURE: 2437600 230.025 118.769 -171.137 277.203 202.233 209.467 -89.7755 293.675 204.176 PRESSAVG: 2437600 40.3496 -30.3943 -59.8941 -30.3943 -42.3845 31.7999 -59.8941 31.7998 9.48195 GPRESSAVG: 2437600 40.9164 -31.831 -59.8084 -28.6594 -42.4111 32.7213 -59.8407 28.6327 8.82842 TIMING: 2437600 CPU: 7701.22, 0.00313797/step Wall: 7701.22, 0.00313797/step, 2.23354 hours remaining, 234.503906 MB of memory in use. ENERGY: 2437600 4053.2005 20464.3820 14468.6976 253.4684 -203217.5907 2758.9433 0.0000 0.0000 51766.5541 -109452.3447 297.5031 -161218.8988 -109091.8872 298.9028 180.6418 212.1449 761475.5672 2.4824 2.4446 PRESSURE: 2437800 -21.6028 -179.006 154.083 -179.006 -81.3291 -45.4002 154.082 -45.4011 -27.8303 GPRESSURE: 2437800 0.0920878 -115.447 278.884 -166.695 -1.31498 6.00821 50.5196 105.017 -19.023 PRESSAVG: 2437800 80.3011 -2.51102 -17.2308 -2.51099 -23.8057 12.8083 -17.2308 12.8083 2.64908 GPRESSAVG: 2437800 79.7417 -2.57829 -15.2415 -3.27269 -24.4099 12.7691 -18.6458 13.9382 3.99344 TIMING: 2437800 CPU: 7701.85, 0.00313431/step Wall: 7701.85, 0.00313431/step, 2.23076 hours remaining, 234.503906 MB of memory in use. ENERGY: 2437800 3960.3735 20484.3747 14497.1292 248.9604 -203054.9710 2657.7008 0.0000 0.0000 51860.7506 -109345.6817 298.0444 -161206.4324 -108980.2135 299.3919 -43.5874 -6.7486 761265.3636 19.7149 19.7751 PRESSURE: 2438000 -289.8 110.83 -233.774 110.831 -206.735 -14.0521 -233.774 -14.0522 -282.967 GPRESSURE: 2438000 -263.715 114.507 -173.37 107.639 -164.765 -121.876 -366.743 30.2641 -285.53 PRESSAVG: 2438000 18.3688 -21.3153 -37.6946 -21.3153 -12.6407 -1.22753 -37.6947 -1.22749 27.2702 GPRESSAVG: 2438000 17.9127 -22.2013 -39.1331 -20.0278 -12.2965 -0.961816 -37.1846 1.07883 27.1643 TIMING: 2438000 CPU: 7702.48, 0.00314019/step Wall: 7702.48, 0.00314019/step, 2.23477 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: 2438000 3983.5891 20579.0589 14514.0754 254.5998 -202471.2990 2175.3602 0.0000 0.0000 51862.6257 -109101.9899 298.0552 -160964.6155 -108738.8689 299.6708 -259.8344 -238.0033 762441.7410 10.9994 10.9268 PRESSURE: 2438200 66.8182 -2.3583 -113.084 -2.35803 -12.097 259.967 -113.084 259.966 26.4084 GPRESSURE: 2438200 102.595 -21.2844 -150.47 -9.65973 93.6044 297.594 -59.6488 324.753 -32.5458 PRESSAVG: 2438200 -56.2415 -49.4978 -42.4417 -49.4978 41.5757 13.7694 -42.4417 13.7695 -15.3603 GPRESSAVG: 2438200 -55.7525 -48.4944 -42.137 -50.4581 42.1733 13.5557 -41.6773 13.2413 -16.1244 TIMING: 2438200 CPU: 7703.11, 0.0031432/step Wall: 7703.11, 0.0031432/step, 2.23674 hours remaining, 234.503906 MB of memory in use. ENERGY: 2438200 3880.0399 20607.8178 14409.2543 254.0990 -203389.8018 2880.8215 0.0000 0.0000 52116.0206 -109241.7487 299.5115 -161357.7693 -108877.8167 299.7848 27.0432 54.5513 762300.1812 -10.0087 -9.9012 PRESSURE: 2438400 253.663 -106.774 131.884 -106.773 210.972 144.023 131.885 144.022 292.042 GPRESSURE: 2438400 292.882 -139.134 68.4786 -87.9658 212.379 156.192 177.86 131.074 323.638 PRESSAVG: 2438400 16.7331 26.1108 -2.97218 26.1108 8.53939 -4.97707 -2.97219 -4.97708 20.7956 GPRESSAVG: 2438400 16.3492 25.9332 -6.33429 25.0121 7.99531 -4.20449 -2.31571 -7.49002 21.3738 TIMING: 2438400 CPU: 7703.74, 0.00315386/step Wall: 7703.74, 0.00315386/step, 2.24415 hours remaining, 234.503906 MB of memory in use. ENERGY: 2438400 3964.6443 20620.9932 14420.7882 238.8896 -203189.1636 2665.1892 0.0000 0.0000 52063.1619 -109215.4971 299.2077 -161278.6589 -108858.8487 299.5867 252.2255 276.2998 761711.6477 15.3560 15.2394 PRESSURE: 2438600 -65.4794 -382.909 11.8162 -382.909 -12.8661 -122.084 11.816 -122.084 64.0199 GPRESSURE: 2438600 -55.6175 -165.22 12.1682 -417.109 48.5496 -166.056 -21.8759 -55.4156 96.1512 PRESSAVG: 2438600 30.525 -35.4001 23.2434 -35.4 -56.3179 21.1083 23.2434 21.1084 -18.5722 GPRESSAVG: 2438600 30.3829 -36.1302 26.139 -33.6527 -55.1928 21.2776 22.8867 22.5334 -19.5115 TIMING: 2438600 CPU: 7704.37, 0.00314614/step Wall: 7704.37, 0.00314614/step, 2.23848 hours remaining, 234.503906 MB of memory in use. ENERGY: 2438600 4012.2385 20480.9215 14376.4793 252.2170 -203285.6254 2967.4682 0.0000 0.0000 52092.3363 -109103.9645 299.3754 -161196.3008 -108725.1914 299.3658 -4.7752 29.6944 765144.6953 -14.7884 -14.7738 PRESSURE: 2438800 101.846 106.373 -205.748 106.373 -184.326 -51.3971 -205.748 -51.3974 555.156 GPRESSURE: 2438800 108.229 18.7203 -271.53 134.328 -90.4018 -45.3642 -121.627 123.151 531.111 PRESSAVG: 2438800 20.508 -36.3115 -5.90658 -36.3114 15.8325 0.888522 -5.9066 0.88848 3.11499 GPRESSAVG: 2438800 21.9639 -36.6275 -7.66477 -35.7442 14.2509 0.157158 -7.10707 2.74757 2.99812 TIMING: 2438800 CPU: 7704.99, 0.00313832/step Wall: 7704.99, 0.00313832/step, 2.23274 hours remaining, 234.503906 MB of memory in use. ENERGY: 2438800 3987.8777 20360.5495 14467.6390 254.7014 -203265.4434 2762.0275 0.0000 0.0000 52207.9710 -109224.6772 300.0399 -161432.6482 -108862.8469 300.1316 157.5588 182.9792 762610.5077 13.1518 13.0710 PRESSURE: 2439000 -41.3275 102.521 25.2604 102.521 -216.731 16.3289 25.2604 16.3293 79.4541 GPRESSURE: 2439000 69.0805 56.6139 34.3214 33.4644 -188.356 54.0392 53.3463 -110.89 26.0177 PRESSAVG: 2439000 5.57052 -44.2009 -14.1816 -44.2009 26.0166 41.3604 -14.1815 41.3604 -15.9053 GPRESSAVG: 2439000 4.27472 -43.206 -13.6187 -45.0532 27.3466 40.2981 -11.959 40.1584 -15.3689 TIMING: 2439000 CPU: 7705.62, 0.00313202/step Wall: 7705.62, 0.00313202/step, 2.22808 hours remaining, 234.503906 MB of memory in use. ENERGY: 2439000 4029.2606 20483.5980 14386.3817 259.6100 -203415.9381 2677.0500 0.0000 0.0000 52102.8836 -109477.1542 299.4360 -161580.0379 -109121.5186 299.9127 -59.5349 -31.0860 761822.8957 5.2273 5.4175 PRESSURE: 2439200 215.975 131.87 -105.621 131.87 -107.903 214.284 -105.62 214.284 188.942 GPRESSURE: 2439200 169.73 122.321 -46.5657 142.271 -19.2352 90.5549 -87.5925 328.559 245.391 PRESSAVG: 2439200 56.7113 0.54591 -4.10342 0.545916 -45.5532 44.4147 -4.10343 44.4147 -10.0415 GPRESSAVG: 2439200 56.7204 0.0581887 -4.38919 0.277338 -45.2312 44.7572 -3.80974 43.3347 -10.6914 TIMING: 2439200 CPU: 7706.25, 0.00313094/step Wall: 7706.25, 0.00313094/step, 2.22714 hours remaining, 234.503906 MB of memory in use. ENERGY: 2439200 3997.0190 20423.1142 14471.1401 262.5817 -203472.5272 2709.9370 0.0000 0.0000 52061.6536 -109547.0816 299.1990 -161608.7352 -109191.6467 298.8269 99.0045 131.9617 761840.4910 0.3722 0.2659 PRESSURE: 2439400 -35.3617 -89.1694 20.2953 -89.1691 116.245 179.765 20.2947 179.765 381.169 GPRESSURE: 2439400 -88.5255 -81.3225 -15.0545 -69.363 205.666 220.751 13.7169 77.8001 433.503 PRESSAVG: 2439400 30.8474 22.2689 -33.3873 22.2688 -36.7734 65.3267 -33.3873 65.3266 29.9838 GPRESSAVG: 2439400 31.5415 22.1069 -31.8366 21.6321 -39.0604 66.6806 -34.0835 65.2297 31.2797 TIMING: 2439400 CPU: 7706.88, 0.00314441/step Wall: 7706.88, 0.00314441/step, 2.23655 hours remaining, 234.503906 MB of memory in use. ENERGY: 2439400 3997.5789 20602.1238 14421.8645 279.0824 -203539.1188 2807.0425 0.0000 0.0000 52035.5839 -109395.8427 299.0492 -161431.4266 -109028.7842 298.9465 154.0172 183.5477 761270.1136 8.0193 7.9203 PRESSURE: 2439600 -308.595 -4.92012 -56.6147 -4.92088 -522.364 -133.528 -56.6148 -133.527 -390.44 GPRESSURE: 2439600 -244.163 -109.962 -80.0669 22.0814 -498.411 -13.1565 -126.452 -268.247 -415.517 PRESSAVG: 2439600 2.26436 -67.8382 -3.22691 -67.8382 -3.30997 1.32564 -3.22693 1.3257 -23.6919 GPRESSAVG: 2439600 1.31515 -67.8611 -5.08394 -67.4151 -1.85063 1.34174 -2.69117 -0.0687485 -24.2178 TIMING: 2439600 CPU: 7707.5, 0.00314127/step Wall: 7707.5, 0.00314127/step, 2.23414 hours remaining, 234.503906 MB of memory in use. ENERGY: 2439600 4029.7528 20635.7336 14383.9903 257.7144 -202888.7338 2247.0058 0.0000 0.0000 52089.6364 -109244.9005 299.3599 -161334.5369 -108896.4254 299.6565 -407.1332 -386.0301 764725.6792 -8.2458 -8.2511 PRESSURE: 2439800 470.078 -118.537 -162.831 -118.537 330.137 -192.589 -162.831 -192.588 -185.313 GPRESSURE: 2439800 420.196 -173.843 -156.137 -63.8017 402.523 -142.642 -167.509 -115.786 -108.976 PRESSAVG: 2439800 -0.0373046 19.2732 11.7348 19.2733 -21.4449 14.6452 11.7347 14.6451 18.9436 GPRESSAVG: 2439800 0.5955 17.6932 11.8001 19.6908 -22.1726 13.7895 11.9407 15.5768 19.3396 TIMING: 2439800 CPU: 7708.13, 0.00313468/step Wall: 7708.13, 0.00313468/step, 2.22928 hours remaining, 234.503906 MB of memory in use. ENERGY: 2439800 4076.4080 20526.3940 14395.2930 258.0790 -203506.3838 3009.5168 0.0000 0.0000 52185.7955 -109054.8974 299.9125 -161240.6929 -108693.6113 299.2746 204.9671 237.9145 761960.0353 -0.8462 -0.7458 PRESSURE: 2440000 -91.8623 99.4673 231.923 99.467 -576.779 -127.577 231.923 -127.577 -194.898 GPRESSURE: 2440000 -81.2742 132.664 199.045 70.3898 -458.973 -147.466 75.1495 18.9829 -236.551 PRESSAVG: 2440000 -7.41274 -11.5611 3.64726 -11.5612 -15.4 -39.9406 3.64728 -39.9407 -23.3595 GPRESSAVG: 2440000 -7.62255 -8.51832 2.48951 -11.8894 -13.9763 -38.81 3.79257 -38.7577 -24.5759 TIMING: 2440000 CPU: 7708.75, 0.00312011/step Wall: 7708.75, 0.00312011/step, 2.21874 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: 2440000 4079.1300 20480.6860 14468.1572 243.7313 -202994.2631 2379.0609 0.0000 0.0000 52309.8164 -109033.6813 300.6252 -161343.4976 -108674.4033 299.9420 -287.8465 -258.9328 764002.2821 -15.3907 -15.3916 PRESSURE: 2440200 -93.8562 27.8162 107.696 27.816 -264.681 -23.4925 107.696 -23.4932 -448.62 GPRESSURE: 2440200 -20.1718 9.59202 141.053 12.8437 -303.729 -31.8664 54.9905 -87.1865 -398.279 PRESSAVG: 2440200 -21.7996 -40.1464 -26.1923 -40.1465 12.9671 -56.1034 -26.1923 -56.1035 -12.669 GPRESSAVG: 2440200 -22.5181 -40.6919 -24.8973 -40.6125 12.7348 -56.7282 -28.9201 -57.8198 -11.758 TIMING: 2440200 CPU: 7709.38, 0.00313532/step Wall: 7709.38, 0.00313532/step, 2.22939 hours remaining, 234.503906 MB of memory in use. ENERGY: 2440200 4095.8257 20462.4017 14365.9017 242.2697 -202851.9019 2447.3447 0.0000 0.0000 52236.0235 -109002.1349 300.2011 -161238.1584 -108626.7540 299.6517 -269.0525 -240.7265 761718.6812 -7.1672 -7.1804 LDB: ============= START OF LOAD BALANCING ============== 7721.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7721.91 LDB: =============== DONE WITH MIGRATION ================ 7721.91 LDB: ============= START OF LOAD BALANCING ============== 7722.23 LDB: Largest compute 7054 load 0.030900 is 15.8% of average load 0.195605 LDB: Average compute 0.004383 is 2.2% of average load 0.195605 LDB: TIME 7722.23 LOAD: AVG 0.195605 MAX 0.215356 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.301 MB LDB: TIME 7722.23 LOAD: AVG 0.195605 MAX 0.215356 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: TIME 7722.23 LOAD: AVG 0.195605 MAX 0.215356 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: ============== END OF LOAD BALANCING =============== 7722.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7722.24 PRESSURE: 2440400 176.868 -164.638 17.6159 -164.638 250.235 -81.4593 17.6159 -81.4588 559.931 GPRESSURE: 2440400 206.004 -142.744 6.33423 -173.681 283.472 -55.0421 -45.0042 -111.348 573.753 PRESSAVG: 2440400 2.41521 -27.1354 2.22478 -27.1353 21.2942 -59.8447 2.22481 -59.8447 21.8119 GPRESSAVG: 2440400 2.80473 -28.5439 1.92712 -27.4512 21.9892 -61.6185 5.30927 -59.5607 20.9804 TIMING: 2440400 CPU: 7710.02, 0.003193/step Wall: 7710.02, 0.003193/step, 2.27023 hours remaining, 234.683594 MB of memory in use. ENERGY: 2440400 3953.5339 20457.1085 14472.8685 257.3648 -203342.0504 2896.0010 0.0000 0.0000 52239.0556 -109066.1182 300.2186 -161305.1738 -108698.8157 299.7147 329.0115 354.4095 759529.2594 15.1737 15.2581 PRESSURE: 2440600 168.584 100.086 -49.967 100.087 49.7284 -26.2824 -49.9668 -26.2819 -240.026 GPRESSURE: 2440600 243.726 74.8656 -19.8845 87.5342 45.9762 23.1132 -97.9328 1.06227 -216.578 PRESSAVG: 2440600 -5.44226 31.7194 -13.0006 31.7195 -27.6388 -15.2049 -13.0007 -15.2049 -26.3913 GPRESSAVG: 2440600 -4.33258 32.2307 -11.0898 31.3957 -29.0888 -13.4252 -15.1734 -15.9026 -26.0985 TIMING: 2440600 CPU: 7710.64, 0.00312415/step Wall: 7710.64, 0.00312415/step, 2.2211 hours remaining, 234.683594 MB of memory in use. ENERGY: 2440600 4008.7623 20605.2842 14420.5505 267.0894 -202908.1810 2550.2401 0.0000 0.0000 52099.5038 -108956.7507 299.4166 -161056.2545 -108587.4370 299.9121 -7.2378 24.3750 761972.5706 -19.8241 -19.8399 PRESSURE: 2440800 -492.968 99.6793 -12.0495 99.6787 -158.037 75.2193 -12.0492 75.2187 -274.661 GPRESSURE: 2440800 -498.482 72.3319 -29.1386 60.185 -74.1426 105.502 -91.5587 31.7082 -252.631 PRESSAVG: 2440800 36.445 -16.7691 -19.9943 -16.769 -20.4034 24.5759 -19.9944 24.5759 3.0596 GPRESSAVG: 2440800 37.3578 -19.4168 -21.3827 -16.1234 -20.2691 25.145 -19.4875 26.0242 1.74082 TIMING: 2440800 CPU: 7711.27, 0.00311687/step Wall: 7711.27, 0.00311687/step, 2.21575 hours remaining, 234.683594 MB of memory in use. ENERGY: 2440800 4032.9738 20547.4635 14530.7304 234.5435 -202677.7231 2191.9197 0.0000 0.0000 52295.2172 -108844.8749 300.5413 -161140.0921 -108473.8325 300.5476 -308.5556 -275.0851 762904.0898 6.3671 6.2765 PRESSURE: 2441000 114.488 164.896 49.4451 164.896 -221.467 38.9784 49.4454 38.9769 174.628 GPRESSURE: 2441000 96.1187 262.199 41.8877 195.719 -154.81 -64.0922 7.88333 -117.372 196.7 PRESSAVG: 2441000 65.7249 -6.05387 8.08665 -6.05389 -108.952 30.7249 8.08666 30.7248 -12.1562 GPRESSAVG: 2441000 64.1133 -2.11228 8.87062 -6.30922 -108.274 28.64 7.26559 29.7068 -10.9673 TIMING: 2441000 CPU: 7711.89, 0.00312826/step Wall: 7711.89, 0.00312826/step, 2.22367 hours remaining, 234.683594 MB of memory in use. ENERGY: 2441000 4044.0476 20317.0219 14482.7919 237.4035 -202504.4809 2300.4861 0.0000 0.0000 52226.9451 -108895.7848 300.1490 -161122.7299 -108532.0104 300.0259 22.5497 46.0027 761066.6826 -18.4612 -18.3761 PRESSURE: 2441200 -279.543 -103.868 -95.5713 -103.869 -149.986 141.395 -95.5717 141.394 -143.859 GPRESSURE: 2441200 -336.723 -232.644 -52.2127 -37.6782 -52.9659 257.112 -15.8671 126.158 -90.7799 PRESSAVG: 2441200 77.927 36.1105 1.71474 36.1105 -64.2723 43.1551 1.71477 43.1551 9.90849 GPRESSAVG: 2441200 77.9834 34.6361 1.9425 35.9988 -63.2182 44.3769 3.15581 44.519 9.34407 TIMING: 2441200 CPU: 7712.52, 0.00314136/step Wall: 7712.52, 0.00314136/step, 2.23281 hours remaining, 234.683594 MB of memory in use. ENERGY: 2441200 3901.8834 20414.9110 14540.4892 264.3055 -202261.0775 2083.4306 0.0000 0.0000 52200.0002 -108856.0576 299.9941 -161056.0578 -108500.3446 299.8247 -191.1293 -160.1563 763877.3890 7.8544 8.0364 PRESSURE: 2441400 -436.553 17.7436 -245.943 17.7439 123.593 -54.2854 -245.943 -54.2849 -214.679 GPRESSURE: 2441400 -398.695 -39.0774 -273.444 25.4856 158.049 -70.4349 -322.387 -241.99 -204.239 PRESSAVG: 2441400 12.4104 10.222 8.09778 10.222 14.9217 8.21081 8.0978 8.21092 -0.466719 GPRESSAVG: 2441400 12.4117 9.86423 8.09533 10.0336 14.3174 6.91706 6.28642 8.89087 0.0939042 TIMING: 2441400 CPU: 7713.15, 0.00315364/step Wall: 7713.15, 0.00315364/step, 2.24136 hours remaining, 234.683594 MB of memory in use. ENERGY: 2441400 4038.7780 20416.8251 14466.5739 253.7225 -202610.7713 2366.3421 0.0000 0.0000 52034.5922 -109033.9375 299.0435 -161068.5296 -108672.5331 299.8007 -175.8795 -148.2952 763079.4740 8.9551 8.9410 PRESSURE: 2441600 -156.418 -183.176 78.5298 -183.177 370.595 -8.60867 78.5295 -8.60808 -135.65 GPRESSURE: 2441600 -165.963 -54.7852 75.8329 -189.321 398.155 10.3773 -3.51305 127.218 -60.9864 PRESSAVG: 2441600 -6.15839 -6.02568 70.2598 -6.02569 48.5292 -35.4602 70.2597 -35.4602 -28.3236 GPRESSAVG: 2441600 -6.67766 -4.86297 69.6837 -6.23674 47.5519 -34.1523 71.7709 -35.7606 -27.0892 TIMING: 2441600 CPU: 7713.78, 0.00314362/step Wall: 7713.78, 0.00314362/step, 2.23407 hours remaining, 234.683594 MB of memory in use. ENERGY: 2441600 3999.0632 20525.0315 14429.3946 219.7150 -203270.2159 2861.2488 0.0000 0.0000 52130.7360 -109105.0269 299.5961 -161235.7628 -108747.7916 299.9567 26.1756 57.0682 760475.9755 4.6824 4.5950 PRESSURE: 2441800 286.622 -2.28306 -28.8851 -2.28374 174.687 132.14 -28.8854 132.14 240.077 GPRESSURE: 2441800 341.228 -40.7731 19.5701 -43.2172 186.181 185.046 -34.5957 59.0027 264.545 PRESSAVG: 2441800 -2.09975 -21.9868 6.53515 -21.9868 20.4222 46.6261 6.53514 46.6261 -1.24688 GPRESSAVG: 2441800 -0.365321 -22.8457 7.26682 -21.9979 19.9639 48.697 7.19461 43.8263 -2.22544 TIMING: 2441800 CPU: 7714.41, 0.0031589/step Wall: 7714.41, 0.0031589/step, 2.24475 hours remaining, 234.683594 MB of memory in use. ENERGY: 2441800 3879.8580 20601.4791 14323.3168 239.7392 -203054.6813 2709.3529 0.0000 0.0000 52185.6857 -109115.2496 299.9119 -161300.9353 -108752.5101 299.9538 233.7956 263.9844 761903.5575 5.6918 5.7910 PRESSURE: 2442000 218.772 299.404 32.3058 299.404 147.805 -127.651 32.3054 -127.649 -81.9239 GPRESSURE: 2442000 252.854 157.229 -8.79918 236.076 137.665 -154.083 74.04 -218.604 -19.416 PRESSAVG: 2442000 23.7372 -19.88 -30.9841 -19.8799 -47.0877 14.1049 -30.9841 14.1049 -15.3418 GPRESSAVG: 2442000 23.0547 -19.5822 -32.4374 -19.0052 -46.6381 12.2056 -31.7576 14.4878 -15.1225 TIMING: 2442000 CPU: 7715.04, 0.00314585/step Wall: 7715.04, 0.00314585/step, 2.2353 hours remaining, 234.683594 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: 2442000 3992.4265 20354.4000 14498.7120 240.8480 -203169.8563 2640.9156 0.0000 0.0000 52359.0735 -109083.4808 300.9083 -161442.5543 -108714.2396 299.6908 94.8844 123.7009 761006.3211 -12.8974 -12.9020 PRESSURE: 2442200 -79.5654 -202.27 -6.74089 -202.269 -321.772 -99.4101 -6.74124 -99.4094 -258.932 GPRESSURE: 2442200 -79.921 -152.824 31.4136 -216.904 -270.206 -95.3075 -141.317 -39.1276 -234.682 PRESSAVG: 2442200 12.679 17.3472 6.37825 17.3471 13.5468 -19.4308 6.37825 -19.4307 -0.400185 GPRESSAVG: 2442200 12.3253 17.9744 8.0497 19.213 13.8475 -19.9612 2.68836 -18.9549 -0.632995 TIMING: 2442200 CPU: 7715.67, 0.00314158/step Wall: 7715.67, 0.00314158/step, 2.2321 hours remaining, 234.683594 MB of memory in use. ENERGY: 2442200 3928.9394 20476.0595 14411.2332 238.5530 -202966.1462 2582.1618 0.0000 0.0000 52397.5971 -108931.6022 301.1297 -161329.1993 -108574.4221 300.0949 -220.0899 -194.9364 762356.9901 8.6086 8.5133 PRESSURE: 2442400 -366.808 42.8316 215.275 42.8317 110.472 158.801 215.275 158.802 158.034 GPRESSURE: 2442400 -351.439 -26.21 206.165 -18.8943 157.04 109.33 242.36 124.987 199.001 PRESSAVG: 2442400 -38.2314 -9.52954 40.531 -9.52958 27.1101 -19.8517 40.531 -19.8518 13.8763 GPRESSAVG: 2442400 -38.1088 -9.95849 40.236 -10.9361 27.0892 -20.0152 44.2878 -20.0038 13.7169 TIMING: 2442400 CPU: 7716.3, 0.00314164/step Wall: 7716.3, 0.00314164/step, 2.23196 hours remaining, 234.683594 MB of memory in use. ENERGY: 2442400 3999.2338 20538.5678 14484.5312 236.0267 -202940.8397 2423.8630 0.0000 0.0000 51929.6817 -109328.9355 298.4406 -161258.6172 -108963.6111 299.6619 -32.7676 1.5340 762128.7096 0.9183 0.8991 PRESSURE: 2442600 -116.816 -0.203797 -29.0325 -0.203037 -9.81553 168.833 -29.0317 168.833 -338.827 GPRESSURE: 2442600 -59.3064 -52.6971 -63.0932 -32.0517 12.3527 144.576 101.272 99.3399 -320.464 PRESSAVG: 2442600 3.82744 -13.8686 67.4643 -13.8686 -37.8966 22.5859 67.4643 22.5859 7.48043 GPRESSAVG: 2442600 3.78821 -15.1011 66.2867 -12.8431 -37.2673 22.2655 67.8655 24.1695 7.00777 TIMING: 2442600 CPU: 7716.92, 0.00312405/step Wall: 7716.92, 0.00312405/step, 2.21929 hours remaining, 234.683594 MB of memory in use. ENERGY: 2442600 3997.5968 20605.6078 14388.8084 251.4436 -202761.8913 2390.2373 0.0000 0.0000 52032.5607 -109095.6368 299.0318 -161128.1974 -108730.1490 299.3030 -155.1528 -122.4725 764144.7015 -8.8629 -8.8238 PRESSURE: 2442800 -163.766 42.487 -49.0962 42.4865 -111.608 -125.704 -49.0961 -125.705 -298.196 GPRESSURE: 2442800 -99.8816 78.4095 -46.2006 -40.6049 -97.4332 -85.9251 -66.3569 -60.6885 -288.31 PRESSAVG: 2442800 -32.5727 -26.1441 22.64 -26.144 22.8414 4.19135 22.64 4.19138 3.03166 GPRESSAVG: 2442800 -32.8066 -25.0246 23.5852 -26.9757 22.6222 4.88957 20.7378 5.13279 3.66217 TIMING: 2442800 CPU: 7717.55, 0.00312682/step Wall: 7717.55, 0.00312682/step, 2.22109 hours remaining, 234.683594 MB of memory in use. ENERGY: 2442800 4085.4438 20635.4453 14422.7132 246.9665 -203293.4685 2632.0890 0.0000 0.0000 52417.1289 -108853.6818 301.2420 -161270.8107 -108506.0117 300.2464 -191.1902 -161.8749 762670.3722 -2.2332 -2.1741 PRESSURE: 2443000 -72.3595 94.4567 265.382 94.457 4.91289 -164.227 265.382 -164.228 24.0459 GPRESSURE: 2443000 31.4302 79.2131 201.6 121.355 -41.4853 -265.861 229.038 -68.6143 31.733 PRESSAVG: 2443000 -66.4754 22.24 41.8392 22.24 36.9158 10.6773 41.8392 10.6772 8.62979 GPRESSAVG: 2443000 -66.6643 22.8024 42.1328 20.3753 37.2446 10.7266 42.0045 9.8058 8.60814 TIMING: 2443000 CPU: 7718.18, 0.00314782/step Wall: 7718.18, 0.00314782/step, 2.23583 hours remaining, 234.683594 MB of memory in use. ENERGY: 2443000 4051.7215 20697.8864 14488.4481 256.0476 -203104.7637 2619.9678 0.0000 0.0000 52118.7511 -108871.9412 299.5272 -160990.6922 -108508.5627 300.6757 -14.4669 7.2260 762131.1375 -6.9766 -6.9372 PRESSURE: 2443200 345.847 -180.136 53.2069 -180.137 -9.79221 226.4 53.2078 226.4 -86.1127 GPRESSURE: 2443200 324.728 -132.648 -69.6777 -103.283 21.7357 271.6 18.3056 207.134 -18.3612 PRESSAVG: 2443200 4.43334 -99.4202 29.7427 -99.4201 11.9298 5.11625 29.7426 5.11622 4.54171 GPRESSAVG: 2443200 4.28009 -99.5782 30.1664 -98.3029 12.4692 6.94509 29.1701 1.8006 4.49679 TIMING: 2443200 CPU: 7718.81, 0.00314239/step Wall: 7718.81, 0.00314239/step, 2.23179 hours remaining, 234.683594 MB of memory in use. ENERGY: 2443200 3992.1973 20469.0451 14525.4254 255.1350 -203712.0060 3120.7928 0.0000 0.0000 52330.8850 -109018.5254 300.7463 -161349.4104 -108660.3131 300.1756 83.3141 109.3676 762843.2539 6.9683 7.0820 PRESSURE: 2443400 -501.319 137.16 -57.9102 137.16 -148.509 -8.7922 -57.9097 -8.79189 8.60709 GPRESSURE: 2443400 -419.172 27.539 -56.587 101.752 -102.053 -13.7965 -132.273 38.3604 -44.4672 PRESSAVG: 2443400 19.3448 -18.4844 -8.88967 -18.4844 -13.1992 -35.577 -8.88967 -35.577 9.90153 GPRESSAVG: 2443400 20.0676 -17.8531 -9.50423 -18.8906 -12.4654 -36.5752 -8.19818 -33.7661 8.47683 TIMING: 2443400 CPU: 7719.44, 0.00314672/step Wall: 7719.44, 0.00314672/step, 2.2347 hours remaining, 234.683594 MB of memory in use. ENERGY: 2443400 4016.8331 20560.5845 14449.9199 253.8408 -203083.1367 2515.2372 0.0000 0.0000 52155.6811 -109131.0402 299.7394 -161286.7213 -108765.2744 300.2480 -213.7404 -188.5641 762157.0784 5.3490 5.3597 PRESSURE: 2443600 125.972 -8.80881 44.8337 -8.80805 -157.353 -93.314 44.8342 -93.3149 -56.85 GPRESSURE: 2443600 142.874 73.1523 53.2831 42.4351 -114.381 -121.465 146.527 -145.72 -40.3453 PRESSAVG: 2443600 -18.6062 24.0816 43.2639 24.0817 55.4464 -28.2817 43.2638 -28.2816 20.3493 GPRESSAVG: 2443600 -20.8498 24.2187 43.5482 25.2834 55.5283 -29.2657 43.9941 -28.0847 22.5425 TIMING: 2443600 CPU: 7720.06, 0.00313864/step Wall: 7720.06, 0.00313864/step, 2.22878 hours remaining, 234.683594 MB of memory in use. ENERGY: 2443600 3943.7419 20531.1699 14434.3941 255.9854 -202877.8610 2709.8964 0.0000 0.0000 52004.8659 -108997.8075 298.8727 -161002.6733 -108638.8437 300.1945 -29.4103 -3.9506 762069.3072 19.0632 19.0737 PRESSURE: 2443800 -446.669 -109.921 95.7168 -109.921 -120.001 -175.328 95.7168 -175.329 -251.274 GPRESSURE: 2443800 -468.173 -33.6356 193.498 -152.324 6.13218 -217.369 85.6463 -226.998 -270.966 PRESSAVG: 2443800 44.7213 -37.1465 36.1929 -37.1466 -59.118 -16.678 36.1929 -16.678 24.3091 GPRESSAVG: 2443800 46.8823 -37.2742 36.4416 -36.6121 -59.8107 -16.8434 36.165 -17.115 22.8001 TIMING: 2443800 CPU: 7720.69, 0.0031503/step Wall: 7720.69, 0.0031503/step, 2.23689 hours remaining, 234.683594 MB of memory in use. ENERGY: 2443800 3995.3936 20543.7401 14371.3696 227.7981 -203440.5699 2931.2208 0.0000 0.0000 52433.4053 -108937.6425 301.3355 -161371.0477 -108569.3239 300.1686 -272.6479 -244.3357 763144.7722 3.3041 3.2906 PRESSURE: 2444000 -20.0172 41.951 -52.0177 41.9509 61.3976 196.541 -52.0179 196.542 -43.9095 GPRESSURE: 2444000 1.88242 -68.8724 -128.687 33.1111 23.0221 200.066 43.3692 259.517 25.4257 PRESSAVG: 2444000 -11.7037 -28.1509 -6.63894 -28.1509 8.79093 -65.041 -6.63894 -65.0411 -6.39814 GPRESSAVG: 2444000 -12.8761 -29.75 -8.3978 -27.7495 8.04998 -63.1132 -6.2542 -64.4254 -4.70529 TIMING: 2444000 CPU: 7721.32, 0.00314063/step Wall: 7721.32, 0.00314063/step, 2.22984 hours remaining, 234.683594 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: 2444000 4106.0251 20581.9929 14436.5682 254.9310 -203278.8821 2821.0212 0.0000 0.0000 52198.8157 -108879.5280 299.9873 -161078.3437 -108513.9777 300.1923 -0.8430 16.7767 762095.0153 -3.1036 -3.1771 PRESSURE: 2444200 -60.1366 -276.255 -150.69 -276.255 -238.717 -130.06 -150.691 -130.059 4.84451 GPRESSURE: 2444200 -95.392 -110.045 -197.738 -221.422 -177.403 -141.172 -48.8431 -119.967 69.8308 PRESSAVG: 2444200 100.965 -16.2738 -43.0133 -16.2738 -45.839 -19.8864 -43.0133 -19.8863 -9.50265 GPRESSAVG: 2444200 100.127 -13.7428 -41.8806 -18.6754 -44.9183 -21.2015 -43.7182 -18.6801 -9.9051 TIMING: 2444200 CPU: 7721.95, 0.0031324/step Wall: 7721.95, 0.0031324/step, 2.22383 hours remaining, 234.941406 MB of memory in use. ENERGY: 2444200 4072.8426 20642.6964 14384.0054 260.2886 -202688.9032 2451.1906 0.0000 0.0000 51878.2073 -108999.6723 298.1448 -160877.8796 -108642.4374 299.8443 -98.0031 -67.6547 763437.2513 15.2079 15.1011 LDB: ============= START OF LOAD BALANCING ============== 7734.48 LDB: ============== END OF LOAD BALANCING =============== 7734.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7734.48 LDB: ============= START OF LOAD BALANCING ============== 7734.8 LDB: Largest compute 7054 load 0.032927 is 16.8% of average load 0.195552 LDB: Average compute 0.004406 is 2.3% of average load 0.195552 LDB: TIME 7734.8 LOAD: AVG 0.195552 MAX 0.214995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.996 MB LDB: TIME 7734.8 LOAD: AVG 0.195552 MAX 0.214995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.996 MB LDB: TIME 7734.8 LOAD: AVG 0.195552 MAX 0.214995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.996 MB LDB: ============== END OF LOAD BALANCING =============== 7734.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7734.81 PRESSURE: 2444400 -112.558 4.19236 -45.3944 4.19215 -191.085 42.6375 -45.3949 42.6368 302.726 GPRESSURE: 2444400 -16.2219 -19.9453 -79.5831 18.3036 -165.623 116.461 -2.78458 35.8867 250.406 PRESSAVG: 2444400 42.4851 -0.712106 -33.5305 -0.712114 -41.9341 -12.8133 -33.5305 -12.8133 -29.3253 GPRESSAVG: 2444400 43.7281 -2.7046 -33.5206 0.888317 -41.2055 -12.252 -33.0321 -12.8283 -30.7063 TIMING: 2444400 CPU: 7722.59, 0.00321237/step Wall: 7722.59, 0.00321237/step, 2.28043 hours remaining, 234.933594 MB of memory in use. ENERGY: 2444400 3950.2146 20666.0390 14370.2548 225.6673 -203299.9241 2472.9288 0.0000 0.0000 52199.5605 -109415.2591 299.9916 -161614.8197 -109053.1720 299.4522 -0.3056 22.8538 761471.3712 -9.5914 -9.3946 PRESSURE: 2444600 -34.2516 57.1279 147.43 57.1275 -132.384 -2.07376 147.431 -2.074 -208.437 GPRESSURE: 2444600 70.8314 77.6582 161.05 10.5516 -187.764 81.5846 179.931 36.6393 -172.91 PRESSAVG: 2444600 -0.172416 -2.04767 -2.61437 -2.04767 -3.83023 46.8164 -2.61436 46.8164 6.8631 GPRESSAVG: 2444600 0.319847 0.555448 -3.4205 -1.67776 -5.59029 47.2989 -3.69045 46.8021 7.86914 TIMING: 2444600 CPU: 7723.22, 0.00315622/step Wall: 7723.22, 0.00315622/step, 2.24039 hours remaining, 235.015625 MB of memory in use. ENERGY: 2444600 4013.6491 20431.1515 14444.5223 251.5672 -203289.7388 2661.2139 0.0000 0.0000 52102.7717 -109384.8631 299.4353 -161487.6347 -109009.5551 299.1189 -125.0242 -96.6141 761555.1573 0.9535 0.8662 PRESSURE: 2444800 -9.49131 5.29915 -93.1013 5.29977 -66.6573 -24.3755 -93.1007 -24.3749 174.506 GPRESSURE: 2444800 -55.9969 102.528 -144.886 24.7639 53.5672 -28.3809 -10.1718 -52.9503 188.266 PRESSAVG: 2444800 34.2687 -33.3304 4.17329 -33.3303 -43.8577 1.93319 4.17333 1.9332 19.2267 GPRESSAVG: 2444800 32.7227 -32.2569 4.20186 -34.2067 -42.4822 0.377815 5.78158 2.27226 19.7407 TIMING: 2444800 CPU: 7723.85, 0.00315149/step Wall: 7723.85, 0.00315149/step, 2.23686 hours remaining, 235.015625 MB of memory in use. ENERGY: 2444800 4075.4553 20564.0737 14409.5560 248.4412 -203542.5515 2824.6999 0.0000 0.0000 51833.1728 -109587.1527 297.8860 -161420.3254 -109230.1721 298.9585 32.7858 61.9455 761241.4638 3.2126 3.3271 PRESSURE: 2445000 -128.208 89.4169 -108.376 89.4169 67.2828 -66.8129 -108.377 -66.813 -341.066 GPRESSURE: 2445000 -29.184 131.732 -121.076 43.9767 53.4278 -124.348 -73.3809 -79.2342 -319.094 PRESSAVG: 2445000 9.91756 36.2022 -66.7507 36.2023 13.8194 -9.21757 -66.7507 -9.21756 24.6172 GPRESSAVG: 2445000 10.4897 32.8896 -65.6952 35.5404 13.7023 -7.69418 -68.5963 -7.85398 24.3116 TIMING: 2445000 CPU: 7724.48, 0.00314949/step Wall: 7724.48, 0.00314949/step, 2.23527 hours remaining, 235.015625 MB of memory in use. ENERGY: 2445000 4002.3763 20455.1924 14396.7966 266.9388 -203316.6734 2778.4085 0.0000 0.0000 51796.9199 -109620.0409 297.6776 -161416.9608 -109256.5394 298.7894 -133.9970 -98.2835 763208.6525 16.1181 16.1679 PRESSURE: 2445200 -515.199 62.9403 -345.578 62.9404 -23.1586 -152.462 -345.577 -152.462 -502.618 GPRESSURE: 2445200 -478.293 77.1879 -292.713 101.352 -48.0632 -112.5 -272.442 -61.3133 -426.263 PRESSAVG: 2445200 8.59531 21.7833 -19.8725 21.7833 -24.929 -7.0693 -19.8724 -7.06929 5.2698 GPRESSAVG: 2445200 8.81631 23.6632 -20.2909 22.3184 -24.4581 -6.88898 -18.8768 -8.95875 4.43789 TIMING: 2445200 CPU: 7725.11, 0.00314626/step Wall: 7725.11, 0.00314626/step, 2.2328 hours remaining, 235.015625 MB of memory in use. ENERGY: 2445200 4014.1069 20474.8372 14451.3991 221.4272 -203335.6684 2809.8828 0.0000 0.0000 51902.7076 -109461.3076 298.2856 -161364.0152 -109101.7079 298.9199 -346.9917 -317.5398 763344.6626 -3.6880 -3.7346 PRESSURE: 2445400 -200.061 -262.33 175.003 -262.329 -9.65474 67.0366 175.003 67.0369 -59.6677 GPRESSURE: 2445400 -161.624 -122.383 184.354 -138.056 -16.1483 3.59127 146.691 44.6324 -13.2933 PRESSAVG: 2445400 18.7228 -56.8404 38.4733 -56.8404 -29.3013 2.78971 38.4734 2.78978 -17.9873 GPRESSAVG: 2445400 18.236 -57.8092 38.1392 -56.2186 -30.0621 3.24911 36.6605 3.14926 -17.0723 TIMING: 2445400 CPU: 7725.74, 0.00313875/step Wall: 7725.74, 0.00313875/step, 2.22729 hours remaining, 235.015625 MB of memory in use. ENERGY: 2445400 3980.0184 20514.8993 14411.5097 259.0896 -203224.1760 2418.9466 0.0000 0.0000 52085.0058 -109554.7065 299.3332 -161639.7124 -109193.9326 298.6812 -89.7946 -63.6884 760684.4290 -9.5220 -9.6328 PRESSURE: 2445600 23.5528 -118.429 235.951 -118.429 -281.446 -85.6143 235.951 -85.6144 328.062 GPRESSURE: 2445600 25.5148 -100.798 213.45 -149.764 -277.661 -85.2136 234.186 -82.3129 399.566 PRESSAVG: 2445600 9.31406 -24.2487 33.5028 -24.2486 10.648 6.78047 33.5028 6.78053 45.7961 GPRESSAVG: 2445600 9.01349 -23.9968 32.3205 -23.252 10.0009 5.7911 37.5967 7.04147 46.5405 TIMING: 2445600 CPU: 7726.37, 0.00315165/step Wall: 7726.37, 0.00315165/step, 2.23627 hours remaining, 235.015625 MB of memory in use. ENERGY: 2445600 3985.5763 20576.4631 14397.2411 248.2954 -203236.9594 2551.6242 0.0000 0.0000 51900.5894 -109577.1700 298.2734 -161477.7594 -109225.9630 298.7463 23.3897 49.1402 761594.2015 21.9194 21.8516 PRESSURE: 2445800 -351.285 25.7977 4.30595 25.7967 -127.092 -194.318 4.30639 -194.318 -59.5035 GPRESSURE: 2445800 -265.112 -61.0817 71.6078 112.243 -54.6096 -258.585 -28.1817 -71.1886 -115.053 PRESSAVG: 2445800 12.0599 33.2383 26.8897 33.2382 -38.5954 -71.1574 26.8896 -71.1574 14.8554 GPRESSAVG: 2445800 13.5998 32.5616 28.5581 33.4007 -39.4981 -71.1448 23.2867 -71.6244 14.3055 TIMING: 2445800 CPU: 7727, 0.00315906/step Wall: 7727, 0.00315906/step, 2.24135 hours remaining, 235.015625 MB of memory in use. ENERGY: 2445800 3996.5222 20408.4613 14454.5018 265.8083 -203300.3489 2613.8332 0.0000 0.0000 51974.2291 -109586.9929 298.6966 -161561.2220 -109226.5664 298.7399 -179.2935 -144.9250 762299.7710 -3.8934 -3.8642 PRESSURE: 2446000 -49.3659 -57.2872 338.701 -57.2869 -123.186 -150.56 338.701 -150.56 45.6667 GPRESSURE: 2446000 19.0381 37.1384 399.259 -58.1153 -164.234 -117.124 261.364 -179.233 96.0356 PRESSAVG: 2446000 38.3329 17.4727 12.0712 17.4727 -37.2942 -29.0863 12.0713 -29.0863 11.2015 GPRESSAVG: 2446000 37.3628 18.3668 12.5215 16.075 -36.1396 -26.8874 12.8167 -29.1956 11.7152 TIMING: 2446000 CPU: 7727.63, 0.0031406/step Wall: 7727.63, 0.0031406/step, 2.22808 hours remaining, 235.015625 MB of memory 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 4002.8908 20406.9752 14476.9937 229.1662 -203390.3065 2479.3784 0.0000 0.0000 52070.4246 -109724.4776 299.2494 -161794.9022 -109358.6160 298.8776 -42.2950 -16.3869 762191.5450 4.0801 4.3128 PRESSURE: 2446200 -146.695 18.5858 11.3919 18.586 179.5 -16.9864 11.3918 -16.9865 -117.07 GPRESSURE: 2446200 -74.9582 29.5049 16.4891 -21.9837 121.488 -66.961 -43.1311 -0.0940131 -75.1202 PRESSAVG: 2446200 -16.7996 -53.0935 46.985 -53.0935 34.4856 -9.80944 46.985 -9.80942 6.28962 GPRESSAVG: 2446200 -15.691 -53.8226 45.115 -53.072 34.2752 -11.5036 48.1553 -9.72761 5.46291 TIMING: 2446200 CPU: 7728.26, 0.00313948/step Wall: 7728.26, 0.00313948/step, 2.22712 hours remaining, 235.058594 MB of memory in use. ENERGY: 2446200 3955.0703 20520.3126 14502.0680 239.9424 -203450.4526 2649.4734 0.0000 0.0000 52011.0741 -109572.5119 298.9084 -161583.5860 -109207.4396 298.8550 -28.0886 -9.5300 762525.9262 7.9919 8.0157 PRESSURE: 2446400 52.6826 -187.024 -168.504 -187.025 23.7816 -246.773 -168.504 -246.773 224.032 GPRESSURE: 2446400 102.618 -187.426 -52.7079 -154.492 33.0593 -207.399 -76.7942 -190.434 233.69 PRESSAVG: 2446400 19.4729 -38.2319 -10.9404 -38.232 -14.1116 24.269 -10.9404 24.269 -6.15 GPRESSAVG: 2446400 19.0954 -40.0541 -10.0751 -38.8093 -13.1782 24.5861 -11.4566 24.5798 -6.18764 TIMING: 2446400 CPU: 7728.88, 0.00312228/step Wall: 7728.88, 0.00312228/step, 2.21474 hours remaining, 235.058594 MB of memory in use. ENERGY: 2446400 3922.5982 20254.5111 14382.7518 255.4647 -203635.2091 2644.0553 0.0000 0.0000 52333.7136 -109842.1144 300.7626 -162175.8280 -109470.5404 298.5961 100.1655 123.1225 762375.5032 -0.2629 -0.0901 PRESSURE: 2446600 -212.571 3.77049 -99.1468 3.76974 -19.6249 -224.942 -99.1475 -224.943 344.17 GPRESSURE: 2446600 -196.983 -96.2349 -85.8228 -0.761313 70.6603 -252.032 61.7078 -68.6697 327.348 PRESSAVG: 2446600 33.5023 0.525003 2.33138 0.525065 -41.1171 -50.9046 2.33138 -50.9045 -2.86645 GPRESSAVG: 2446600 32.8516 3.68595 2.28592 1.43517 -41.1003 -51.6434 0.866432 -50.9971 -2.91845 TIMING: 2446600 CPU: 7729.51, 0.00313929/step Wall: 7729.51, 0.00313929/step, 2.22663 hours remaining, 235.058594 MB of memory in use. ENERGY: 2446600 3910.1809 20492.9929 14464.5625 251.0067 -203827.2283 3070.7081 0.0000 0.0000 51917.1107 -109720.6665 298.3683 -161637.7773 -109363.1148 297.8304 37.3248 67.0085 762138.9434 -3.4937 -3.7224 PRESSURE: 2446800 8.3233 -146.91 -76.1868 -146.91 48.2642 62.4488 -76.1864 62.4492 154.315 GPRESSURE: 2446800 55.0673 -186.612 -140.993 -69.4615 50.6878 67.9416 -87.9598 25.2714 190.818 PRESSAVG: 2446800 -7.16047 -16.1577 -9.20523 -16.1577 43.8115 -4.29503 -9.2052 -4.29506 -15.712 GPRESSAVG: 2446800 -6.57318 -17.9557 -10.1761 -17.6575 42.7323 -4.27375 -7.97637 -2.68529 -15.1716 TIMING: 2446800 CPU: 7730.14, 0.00316193/step Wall: 7730.14, 0.00316193/step, 2.24251 hours remaining, 235.058594 MB of memory in use. ENERGY: 2446800 3893.7304 20521.5680 14463.9251 257.5100 -203521.3606 2886.9546 0.0000 0.0000 51955.8528 -109541.8197 298.5910 -161497.6725 -109186.3696 298.3773 70.3010 98.8576 762351.4362 6.9797 6.9959 PRESSURE: 2447000 120.733 233.086 134.789 233.086 -8.46527 -19.4047 134.789 -19.4037 425.957 GPRESSURE: 2447000 124.375 273.648 153.375 209.787 80.5678 -72.2584 55.4378 -3.71466 430.743 PRESSAVG: 2447000 21.7787 24.5875 10.3744 24.5874 14.8565 -68.5745 10.3745 -68.5745 17.4689 GPRESSAVG: 2447000 20.9758 25.9457 11.4066 26.3642 15.0326 -69.5324 10.8965 -66.7821 17.9439 TIMING: 2447000 CPU: 7730.77, 0.00315525/step Wall: 7730.77, 0.00315525/step, 2.2376 hours remaining, 235.058594 MB of memory in use. ENERGY: 2447000 3959.6147 20441.8774 14397.2607 241.8278 -203714.6832 2937.6307 0.0000 0.0000 52302.6421 -109433.8297 300.5840 -161736.4719 -109068.4010 299.0356 179.4082 211.8954 761349.6137 18.0347 17.9841 PRESSURE: 2447200 -341.974 -263.513 45.1732 -263.514 -133.704 -8.00458 45.172 -8.00441 161.876 GPRESSURE: 2447200 -358.277 -311.19 -4.62701 -344.48 -78.4145 15.2966 25.614 -60.4244 183.68 PRESSAVG: 2447200 2.53222 -40.1034 -7.89598 -40.1034 -3.42734 -44.2653 -7.89594 -44.2653 16.5186 GPRESSAVG: 2447200 2.33885 -41.6455 -9.05385 -39.3414 -2.46019 -43.2604 -9.37007 -47.1823 15.4317 TIMING: 2447200 CPU: 7731.4, 0.00315073/step Wall: 7731.4, 0.00315073/step, 2.23422 hours remaining, 235.058594 MB of memory in use. ENERGY: 2447200 3996.8481 20312.5627 14433.5801 261.9282 -203122.3852 2366.4274 0.0000 0.0000 52299.9586 -109451.0801 300.5686 -161751.0387 -109086.9548 299.3394 -104.6005 -84.3371 761662.6366 5.2078 5.1034 PRESSURE: 2447400 -31.4144 60.3375 246.775 60.3382 87.0501 -163.526 246.776 -163.526 19.0639 GPRESSURE: 2447400 -6.52409 85.3387 255.222 -31.4198 32.4309 -191.048 164.086 -176.871 127.541 PRESSAVG: 2447400 -14.326 -34.9898 -12.2582 -34.9899 46.0366 -51.4513 -12.2582 -51.4513 9.08743 GPRESSAVG: 2447400 -15.5164 -36.3345 -12.6737 -36.9854 45.1538 -52.4382 -10.2725 -51.4047 10.9861 TIMING: 2447400 CPU: 7732.04, 0.00316471/step Wall: 7732.04, 0.00316471/step, 2.24396 hours remaining, 235.058594 MB of memory in use. ENERGY: 2447400 3918.4376 20417.1560 14447.4240 248.8257 -203237.9276 2467.8453 0.0000 0.0000 52155.9495 -109582.2895 299.7410 -161738.2390 -109225.2117 298.7705 24.8999 51.1492 761008.0521 13.5993 13.5412 PRESSURE: 2447600 65.9516 -262.566 56.4337 -262.566 -60.3733 86.8864 56.4329 86.8861 -76.5265 GPRESSURE: 2447600 74.6537 -249.569 112.256 -145.79 0.698444 -1.56506 46.5721 107.215 -60.8148 PRESSAVG: 2447600 -43.0271 -56.0386 83.8869 -56.0386 13.2853 -28.4712 83.8869 -28.4712 1.53914 GPRESSAVG: 2447600 -41.4127 -52.2616 84.6464 -55.5455 13.2294 -26.8517 84.2807 -28.7652 0.6803 TIMING: 2447600 CPU: 7732.67, 0.00315523/step Wall: 7732.67, 0.00315523/step, 2.23706 hours remaining, 235.058594 MB of memory in use. ENERGY: 2447600 4003.8855 20502.4603 14472.2597 236.4301 -203009.8080 2534.8948 0.0000 0.0000 51768.2139 -109491.6637 297.5126 -161259.8776 -109127.7519 298.9229 -23.6494 4.8458 762070.3841 -9.4009 -9.1676 PRESSURE: 2447800 177.959 -81.6877 -241.979 -81.6873 -99.9179 -215.553 -241.979 -215.552 -283.831 GPRESSURE: 2447800 198.341 -52.4117 -228.495 -106.028 -104.929 -282.65 -148.47 -274.284 -226.292 PRESSAVG: 2447800 -6.60833 -3.06996 7.46054 -3.06997 31.6106 -76.8946 7.46051 -76.8946 17.6026 GPRESSAVG: 2447800 -6.24566 -5.29645 7.8951 -1.77774 31.7316 -78.1494 6.71495 -75.3138 17.5866 TIMING: 2447800 CPU: 7733.3, 0.00315707/step Wall: 7733.3, 0.00315707/step, 2.23819 hours remaining, 235.058594 MB of memory in use. ENERGY: 2447800 3990.4325 20632.0720 14352.4288 241.6358 -202977.3661 2381.0076 0.0000 0.0000 51854.2099 -109525.5795 298.0069 -161379.7895 -109177.0425 298.8473 -68.5967 -44.2936 762097.9095 14.2016 14.3575 PRESSURE: 2448000 330.06 35.1499 -69.4033 35.1491 357.56 21.9278 -69.4036 21.9278 496.693 GPRESSURE: 2448000 303.801 13.6405 -134.8 122.504 411.624 78.6536 33.9984 50.765 544.134 PRESSAVG: 2448000 3.92317 -60.2859 32.065 -60.2859 30.2505 -16.7136 32.065 -16.7137 17.6467 GPRESSAVG: 2448000 3.49561 -62.1014 30.4852 -60.7443 30.016 -15.2193 32.9064 -19.4488 18.1621 TIMING: 2448000 CPU: 7733.93, 0.00315079/step Wall: 7733.93, 0.00315079/step, 2.23356 hours remaining, 235.058594 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: 2448000 3986.4826 20543.4276 14415.5499 230.2422 -203752.0890 3023.2900 0.0000 0.0000 51888.4468 -109664.6499 298.2036 -161553.0967 -109308.0525 298.7712 394.7709 419.8529 759656.5875 17.2734 17.2246 PRESSURE: 2448200 66.0882 -254.021 -53.9196 -254.022 133.663 109.531 -53.9196 109.531 138.651 GPRESSURE: 2448200 45.7739 -118.003 41.1466 -252.337 208.07 128.366 49.8541 54.5919 177.705 PRESSAVG: 2448200 -7.66669 -37.8692 21.0905 -37.8692 18.2403 17.613 21.0905 17.613 -36.8276 GPRESSAVG: 2448200 -7.54383 -36.1527 20.3201 -37.5024 17.6378 16.7046 23.001 20.5821 -36.3415 TIMING: 2448200 CPU: 7734.56, 0.00315102/step Wall: 7734.56, 0.00315102/step, 2.23355 hours remaining, 235.058594 MB of memory in use. ENERGY: 2448200 4001.7863 20491.2077 14397.4964 240.0273 -203649.9815 2783.5741 0.0000 0.0000 52234.2216 -109501.6681 300.1908 -161735.8897 -109130.9684 299.1887 112.8006 143.8495 760632.7136 -8.7513 -8.7492 LDB: ============= START OF LOAD BALANCING ============== 7747.09 LDB: ============== END OF LOAD BALANCING =============== 7747.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7747.09 LDB: ============= START OF LOAD BALANCING ============== 7747.41 LDB: Largest compute 7054 load 0.031804 is 16.3% of average load 0.195487 LDB: Average compute 0.004383 is 2.2% of average load 0.195487 LDB: TIME 7747.41 LOAD: AVG 0.195487 MAX 0.214587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 7747.41 LOAD: AVG 0.195487 MAX 0.214587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: TIME 7747.41 LOAD: AVG 0.195487 MAX 0.214587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: ============== END OF LOAD BALANCING =============== 7747.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7747.42 PRESSURE: 2448400 -483.657 -123.93 -46.5895 -123.93 -263.484 203.85 -46.5889 203.851 -367.039 GPRESSURE: 2448400 -436.918 -76.3717 -84.13 -62.2888 -201.528 173.963 -115.128 145.291 -396.238 PRESSAVG: 2448400 -61.5904 -15.5446 10.459 -15.5446 96.3776 37.5935 10.459 37.5935 21.2546 GPRESSAVG: 2448400 -62.3041 -16.9778 11.8607 -14.1811 97.7489 38.9762 6.25383 35.0707 20.4382 TIMING: 2448400 CPU: 7735.2, 0.0032155/step Wall: 7735.2, 0.0032155/step, 2.27908 hours remaining, 234.945312 MB of memory in use. ENERGY: 2448400 4036.7369 20510.6016 14484.1525 242.8804 -202879.0433 2156.8686 0.0000 0.0000 51934.1099 -109513.6935 298.4660 -161447.8034 -109142.6316 299.5165 -371.3935 -344.8946 761740.7735 18.6806 18.6277 PRESSURE: 2448600 -218.631 265.37 130.317 265.37 -151.815 -178.785 130.318 -178.785 -43.1053 GPRESSURE: 2448600 -179.943 146.606 179.792 104.755 -144.805 -189.787 126.29 -258.488 -15.2719 PRESSAVG: 2448600 -38.8415 -37.1235 11.8631 -37.1234 54.0078 18.0487 11.863 18.0487 0.90657 GPRESSAVG: 2448600 -39.3995 -36.2226 11.9146 -40.1192 54.4347 18.468 13.6833 17.3734 0.78477 TIMING: 2448600 CPU: 7735.83, 0.00314107/step Wall: 7735.83, 0.00314107/step, 2.22615 hours remaining, 234.945312 MB of memory in use. ENERGY: 2448600 3877.5971 20470.2168 14464.6853 251.1892 -203137.0094 2364.9649 0.0000 0.0000 52439.6652 -109268.6909 301.3715 -161708.3561 -108889.6899 299.2400 -137.8504 -113.3400 759897.7067 5.3576 5.2733 PRESSURE: 2448800 -25.2943 -55.4763 25.1711 -55.4761 -139.583 -32.3958 25.1716 -32.3967 119.241 GPRESSURE: 2448800 -10.0497 -20.3515 97.8674 -53.9154 -79.8588 -92.7134 13.3677 49.1648 109.31 PRESSAVG: 2448800 -65.7916 -3.05714 41.9282 -3.05711 24.6582 -65.4883 41.9282 -65.4883 -0.34223 GPRESSAVG: 2448800 -65.2838 -3.18111 41.1197 -2.59611 24.8849 -68.1432 41.5922 -63.8752 -0.906916 TIMING: 2448800 CPU: 7736.46, 0.00313099/step Wall: 7736.46, 0.00313099/step, 2.21883 hours remaining, 234.945312 MB of memory in use. ENERGY: 2448800 4003.1755 20636.6224 14434.2086 254.0372 -203124.1278 2450.5066 0.0000 0.0000 52389.3068 -108956.2707 301.0821 -161345.5775 -108590.8620 300.4488 -15.2121 6.4673 760390.5111 -13.8252 -13.7686 PRESSURE: 2449000 -95.0705 52.0921 -346.549 52.0935 227.137 -86.8289 -346.549 -86.8276 14.3296 GPRESSURE: 2449000 -90.4803 32.9531 -377.992 146.764 273.437 -193.288 -339.886 -38.4078 48.316 PRESSAVG: 2449000 -72.5835 2.55629 14.3167 2.55637 55.6091 -45.4949 14.3166 -45.4949 -5.58294 GPRESSAVG: 2449000 -72.1476 4.06877 15.4056 3.57136 55.1583 -46.7463 13.577 -43.9205 -5.16692 TIMING: 2449000 CPU: 7737.09, 0.00314256/step Wall: 7737.09, 0.00314256/step, 2.22685 hours remaining, 234.945312 MB of memory in use. ENERGY: 2449000 3940.3169 20566.2020 14451.0584 259.3488 -202888.1023 2332.7743 0.0000 0.0000 52272.8333 -109065.5687 300.4127 -161338.4020 -108703.9906 300.5188 48.7987 77.0909 760469.4405 -7.5191 -7.3854 PRESSURE: 2449200 271.961 149.191 -54.7119 149.191 411.425 -51.1952 -54.7119 -51.1966 287.939 GPRESSURE: 2449200 349.858 113.861 -13.0372 60.3026 405.055 11.8027 24.8409 -26.3852 311.741 PRESSAVG: 2449200 -60.0847 9.63926 9.93311 9.63926 53.1352 48.4848 9.93311 48.4848 -4.56817 GPRESSAVG: 2449200 -60.6182 8.79095 8.67678 7.79102 53.4636 50.9885 11.2317 46.3794 -4.41236 TIMING: 2449200 CPU: 7737.71, 0.00314352/step Wall: 7737.71, 0.00314352/step, 2.22736 hours remaining, 234.945312 MB of memory in use. ENERGY: 2449200 4048.9436 20485.0015 14413.9568 249.2743 -203494.8618 2899.7225 0.0000 0.0000 52068.0832 -109329.8799 299.2360 -161397.9631 -108968.8949 300.0904 323.7752 355.5512 758613.3805 -3.8393 -3.8557 PRESSURE: 2449400 244.867 57.4092 -279.152 57.4088 38.1315 65.6392 -279.153 65.6394 6.76079 GPRESSURE: 2449400 208.491 73.1371 -268.972 44.2189 110.849 31.538 -131.81 42.0709 59.4846 PRESSAVG: 2449400 -6.87752 -37.7363 1.26155 -37.7363 19.5522 0.947834 1.26157 0.947808 18.3801 GPRESSAVG: 2449400 -7.20287 -36.8503 3.2138 -37.1438 20.0488 -0.407695 0.777334 0.556479 18.3093 TIMING: 2449400 CPU: 7738.34, 0.00314008/step Wall: 7738.34, 0.00314008/step, 2.22475 hours remaining, 234.945312 MB of memory in use. ENERGY: 2449400 3993.8076 20538.7617 14408.9845 232.2894 -203245.1372 2658.2378 0.0000 0.0000 52183.2350 -109229.8212 299.8978 -161413.0562 -108869.3212 299.7825 96.5865 126.2750 760825.8117 10.3516 10.3851 PRESSURE: 2449600 119.153 -54.0042 138.644 -54.003 -27.4646 8.30398 138.644 8.3023 77.8592 GPRESSURE: 2449600 87.6452 -30.7818 71.3235 -74.5432 105.417 -16.6154 133.739 -19.9371 62.5479 PRESSAVG: 2449600 3.64344 -5.01653 25.7835 -5.01657 19.696 -18.3837 25.7835 -18.3838 11.3039 GPRESSAVG: 2449600 4.66739 -5.01026 24.9716 -5.25839 18.0953 -19.2374 24.9486 -15.4257 11.3749 TIMING: 2449600 CPU: 7738.97, 0.00315344/step Wall: 7738.97, 0.00315344/step, 2.23404 hours remaining, 234.945312 MB of memory in use. ENERGY: 2449600 4041.5064 20458.1917 14418.0222 257.6819 -203387.8686 2539.2671 0.0000 0.0000 52336.5747 -109336.6247 300.7790 -161673.1993 -108971.9762 299.8922 56.5160 85.2034 759946.0510 11.5478 11.3792 PRESSURE: 2449800 273.057 -48.0201 -33.7173 -48.02 -35.6495 -85.1246 -33.717 -85.1234 -382.949 GPRESSURE: 2449800 324.974 -28.4787 -43.8056 -12.1788 35.9738 -73.7916 64.0688 -109.518 -420.962 PRESSAVG: 2449800 23.6353 55.0136 36.4574 55.0136 8.31581 -61.2147 36.4574 -61.2147 3.36488 GPRESSAVG: 2449800 23.2982 54.5908 36.8571 56.1419 10.1022 -59.9385 37.1178 -63.4077 2.39179 TIMING: 2449800 CPU: 7739.6, 0.00313209/step Wall: 7739.6, 0.00313209/step, 2.21874 hours remaining, 234.945312 MB of memory in use. ENERGY: 2449800 3938.9846 20517.3531 14473.0675 239.0540 -203238.2732 2624.3263 0.0000 0.0000 52221.6148 -109223.8729 300.1183 -161445.4877 -108862.8411 299.8987 -48.5137 -20.0049 760987.3241 11.7720 11.9307 PRESSURE: 2450000 57.2611 258.058 -47.0604 258.058 52.8857 -41.9379 -47.0598 -41.9373 163.724 GPRESSURE: 2450000 91.327 197.7 -121.268 207.033 112.616 -22.7964 37.5806 -26.1415 158.709 PRESSAVG: 2450000 17.4298 10.6524 9.73479 10.6525 2.63435 42.1845 9.7348 42.1846 17.0032 GPRESSAVG: 2450000 17.033 10.2761 9.96895 9.13365 2.24252 42.0149 9.92193 41.7658 17.6309 TIMING: 2450000 CPU: 7740.23, 0.00314255/step Wall: 7740.23, 0.00314255/step, 2.22597 hours remaining, 235.148438 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: 2450000 3945.1583 20549.5047 14445.9057 234.9759 -203385.3693 2766.4502 0.0000 0.0000 52196.8423 -109246.5323 299.9760 -161443.3746 -108882.5894 299.4734 91.2904 120.8840 760714.1590 12.3558 12.3021 PRESSURE: 2450200 -38.7827 99.7918 60.7533 99.7917 30.7457 44.0769 60.7531 44.0767 81.9594 GPRESSURE: 2450200 67.0783 -14.5732 113.762 170.472 14.3586 41.4903 19.9275 -10.1936 69.0449 PRESSAVG: 2450200 -16.2628 35.832 -26.6258 35.832 16.6806 10.3769 -26.6258 10.3769 1.1046 GPRESSAVG: 2450200 -15.1706 34.8869 -25.7405 37.2703 15.3262 10.9181 -28.1775 9.54418 1.78033 TIMING: 2450200 CPU: 7740.86, 0.00314909/step Wall: 7740.86, 0.00314909/step, 2.23043 hours remaining, 235.148438 MB of memory in use. ENERGY: 2450200 3995.1139 20521.3631 14499.7965 247.6640 -203347.0105 2706.0755 0.0000 0.0000 52023.4634 -109353.5340 298.9796 -161376.9974 -109000.7856 299.4259 24.6408 50.1606 761934.8531 0.5075 0.6453 PRESSURE: 2450400 0.225098 61.8049 -227.297 61.8046 66.8771 -93.7192 -227.298 -93.719 134.705 GPRESSURE: 2450400 17.6462 36.9758 -333.209 58.6518 152.099 -58.973 -131.576 -150.317 122.073 PRESSAVG: 2450400 -60.1233 -16.7898 12.2703 -16.7898 46.6615 -42.9051 12.2704 -42.9051 24.0841 GPRESSAVG: 2450400 -60.7213 -15.742 11.6661 -15.691 47.7638 -45.3153 13.6821 -42.159 23.5737 TIMING: 2450400 CPU: 7741.49, 0.00314591/step Wall: 7741.49, 0.00314591/step, 2.228 hours remaining, 235.148438 MB of memory in use. ENERGY: 2450400 3966.8531 20509.7297 14480.3490 245.5523 -203468.2237 2840.5857 0.0000 0.0000 51918.7794 -109506.3746 298.3779 -161425.1539 -109138.5707 299.1894 67.2690 97.2725 760795.4908 3.5408 3.5387 PRESSURE: 2450600 -492.298 28.6118 -25.0565 28.6121 -104.998 128.862 -25.0574 128.861 130.316 GPRESSURE: 2450600 -410.072 115.759 -41.9324 65.4653 -40.6386 155.336 109.347 78.2473 73.2522 PRESSAVG: 2450600 -33.1515 -38.2342 -25.8249 -38.2342 59.9819 5.27162 -25.8249 5.27173 -22.5487 GPRESSAVG: 2450600 -33.6287 -38.0005 -27.0939 -40.1829 59.7616 7.44826 -24.7746 3.96934 -22.0135 TIMING: 2450600 CPU: 7742.12, 0.00314606/step Wall: 7742.12, 0.00314606/step, 2.22793 hours remaining, 235.136719 MB of memory in use. ENERGY: 2450600 3960.6156 20627.8832 14409.7190 247.3305 -203294.0309 2445.0969 0.0000 0.0000 51868.3914 -109734.9942 298.0884 -161603.3856 -109365.5733 299.2001 -155.6604 -125.8196 763145.9279 1.4273 1.3731 PRESSURE: 2450800 -225.133 -220.495 -16.796 -220.495 -152.063 -105.914 -16.7965 -105.915 -225.166 GPRESSURE: 2450800 -201.755 -232.95 -16.0405 -182.338 -86.5416 -101.188 14.0233 -91.1723 -240.062 PRESSAVG: 2450800 -29.0311 -46.0438 0.426525 -46.0438 24.1486 65.3735 0.426573 65.3736 -13.0279 GPRESSAVG: 2450800 -27.5676 -47.8911 1.46089 -46.0735 23.3916 64.6762 -2.0458 65.6861 -13.7584 TIMING: 2450800 CPU: 7742.74, 0.00314008/step Wall: 7742.74, 0.00314008/step, 2.22353 hours remaining, 235.136719 MB of memory in use. ENERGY: 2450800 3955.9957 20649.6577 14377.4355 259.3740 -203251.6394 2427.2957 0.0000 0.0000 51666.4171 -109915.4636 296.9276 -161581.8807 -109552.7662 298.3339 -200.7873 -176.1195 762074.0306 -5.9701 -5.9781 PRESSURE: 2451000 -219.747 -110.028 -176.852 -110.03 -121.584 32.9622 -176.852 32.9639 153.588 GPRESSURE: 2451000 -37.6672 -117.715 -109.64 -46.1617 -238.811 56.6631 -135.765 73.1656 162.474 PRESSAVG: 2451000 -45.9205 -59.1015 -0.123565 -59.1015 44.6668 37.0147 -0.123593 37.0148 5.62044 GPRESSAVG: 2451000 -45.2443 -57.0827 -1.6318 -60.0987 44.6603 37.2333 1.58491 37.0386 4.72045 TIMING: 2451000 CPU: 7743.38, 0.00316081/step Wall: 7743.38, 0.00316081/step, 2.23803 hours remaining, 235.136719 MB of memory in use. ENERGY: 2451000 3971.4746 20602.5085 14356.2150 254.7156 -203830.8772 2842.7741 0.0000 0.0000 51815.2276 -109987.9618 297.7828 -161803.1894 -109630.9471 298.0936 -62.5809 -38.0011 762186.4818 1.4556 1.3788 PRESSURE: 2451200 51.2839 -96.305 117.512 -96.3056 -173.991 180.441 117.513 180.441 -89.8321 GPRESSURE: 2451200 22.4844 -131.027 84.992 -135.096 -117.127 90.7219 54.5303 208.774 -41.369 PRESSAVG: 2451200 2.97727 -44.6408 -20.5864 -44.6408 49.2047 35.1693 -20.5864 35.1693 -3.88787 GPRESSAVG: 2451200 1.87101 -45.7294 -18.5891 -43.8595 49.255 35.3492 -21.511 37.451 -2.5203 TIMING: 2451200 CPU: 7744.01, 0.00315871/step Wall: 7744.01, 0.00315871/step, 2.23637 hours remaining, 235.136719 MB of memory in use. ENERGY: 2451200 3910.6989 20420.4879 14342.7065 229.5081 -203628.7378 2672.5428 0.0000 0.0000 51945.1596 -110107.6340 298.5295 -162052.7936 -109731.9249 297.7396 -70.8465 -45.3372 761823.4645 16.0980 16.2019 PRESSURE: 2451400 140.916 -321.546 3.61221 -321.545 -138.615 -95.5137 3.61328 -95.5133 -203.441 GPRESSURE: 2451400 76.1101 -166.148 25.1871 -180.906 -58.3528 -98.9146 54.1293 -126.109 -124.012 PRESSAVG: 2451400 -6.33408 -54.9328 21.3909 -54.9329 -18.7203 27.9191 21.3909 27.9191 18.6694 GPRESSAVG: 2451400 -6.29428 -53.3221 19.6531 -53.9985 -18.773 26.9824 20.0492 26.8939 17.8148 TIMING: 2451400 CPU: 7744.64, 0.00315777/step Wall: 7744.64, 0.00315777/step, 2.23553 hours remaining, 235.136719 MB of memory in use. ENERGY: 2451400 3893.7740 20539.6946 14387.3695 242.7127 -203799.1732 2997.4173 0.0000 0.0000 51782.4133 -109955.7917 297.5942 -161738.2050 -109588.5796 297.7456 -67.0468 -35.4183 761699.6383 -2.1283 -2.4175 PRESSURE: 2451600 -28.353 111.684 44.8474 111.683 104.257 164.36 44.8467 164.361 -479.995 GPRESSURE: 2451600 -1.38906 65.5898 21.68 115.736 208.473 139.493 81.3299 136.245 -487.867 PRESSAVG: 2451600 -21.1491 30.563 -6.48496 30.563 48.7224 18.2403 -6.48495 18.2402 2.24731 GPRESSAVG: 2451600 -22.5588 30.2054 -5.76833 30.1097 49.0663 17.0548 -2.84323 16.5245 2.55518 TIMING: 2451600 CPU: 7745.27, 0.00315806/step Wall: 7745.27, 0.00315806/step, 2.23555 hours remaining, 235.136719 MB of memory in use. ENERGY: 2451600 3934.5417 20532.3670 14372.7074 249.3255 -203806.7410 2760.6266 0.0000 0.0000 52014.4130 -109942.7599 298.9275 -161957.1729 -109579.1385 298.4355 -134.6972 -93.5945 762157.9780 9.9402 9.6876 PRESSURE: 2451800 -338.372 -89.81 73.1405 -89.8093 -81.078 -87.694 73.1399 -87.6932 1.79417 GPRESSURE: 2451800 -284.41 -183.03 58.3399 -72.4837 -169.999 -158.441 -12.0329 -68.6962 108.097 PRESSAVG: 2451800 1.91368 10.6639 18.0978 10.6639 -16.7518 -31.1849 18.0978 -31.1849 -10.8723 GPRESSAVG: 2451800 1.84285 9.63927 18.1579 12.2248 -17.0612 -28.4266 14.5297 -31.5661 -10.1827 TIMING: 2451800 CPU: 7745.9, 0.003134/step Wall: 7745.9, 0.003134/step, 2.21835 hours remaining, 235.148438 MB of memory in use. ENERGY: 2451800 3993.8888 20426.1213 14423.5131 248.9747 -203851.4181 2877.3111 0.0000 0.0000 52066.7366 -109814.8725 299.2283 -161881.6091 -109443.3237 298.4325 -139.2187 -115.4376 762976.6114 -8.5701 -8.4670 PRESSURE: 2452000 107.763 9.93956 -153.195 9.93959 -333.668 -15.2523 -153.195 -15.2509 -368.89 GPRESSURE: 2452000 139.808 -25.0455 -203.49 113.63 -227.173 27.5361 52.7713 -172.087 -398.781 PRESSAVG: 2452000 -35.7562 24.5532 33.8775 24.5531 3.92071 -31.3554 33.8775 -31.3554 0.355623 GPRESSAVG: 2452000 -34.1867 25.1612 34.8981 25.0936 4.33873 -31.7837 35.5506 -27.956 -1.60498 TIMING: 2452000 CPU: 7746.53, 0.00313721/step Wall: 7746.53, 0.00313721/step, 2.22045 hours remaining, 235.148438 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: 2452000 4014.4508 20507.4839 14396.7900 254.3755 -203518.9181 2647.5055 0.0000 0.0000 52037.6117 -109660.7005 299.0609 -161698.3122 -109294.9127 298.7776 -198.2649 -162.0487 762951.4617 -10.4933 -10.4843 PRESSURE: 2452200 -52.3019 165.042 -186.264 165.042 -51.1645 -58.4613 -186.265 -58.4615 88.907 GPRESSURE: 2452200 -22.4459 100.029 -139.778 127.318 -22.9241 -103.662 -161.563 -22.8241 125.056 PRESSAVG: 2452200 6.16066 25.313 -9.67769 25.313 -4.70968 43.6914 -9.67772 43.6915 16.8271 GPRESSAVG: 2452200 5.43194 24.9521 -9.91687 22.5902 -5.01413 44.893 -8.63815 40.5849 17.8522 TIMING: 2452200 CPU: 7747.15, 0.00313937/step Wall: 7747.15, 0.00313937/step, 2.2218 hours remaining, 235.148438 MB of memory in use. ENERGY: 2452200 3950.1052 20380.6603 14379.5533 247.4044 -203435.2403 2644.9855 0.0000 0.0000 52219.4408 -109613.0910 300.1058 -161832.5318 -109239.6960 299.2973 -4.8531 26.5620 761105.5594 6.0927 6.0900 LDB: ============= START OF LOAD BALANCING ============== 7759.69 LDB: ============== END OF LOAD BALANCING =============== 7759.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7759.69 LDB: ============= START OF LOAD BALANCING ============== 7760 LDB: Largest compute 7056 load 0.032346 is 16.5% of average load 0.195589 LDB: Average compute 0.004382 is 2.2% of average load 0.195589 LDB: TIME 7760.01 LOAD: AVG 0.195589 MAX 0.216921 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.449 MB LDB: TIME 7760.01 LOAD: AVG 0.195589 MAX 0.216921 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.652 MB LDB: TIME 7760.01 LOAD: AVG 0.195589 MAX 0.216921 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.652 MB LDB: ============== END OF LOAD BALANCING =============== 7760.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7760.02 PRESSURE: 2452400 -113.588 -135.353 83.9727 -135.353 -81.2334 62.7614 83.9732 62.7614 -384.551 GPRESSURE: 2452400 -84.3117 -88.2077 86.3433 -147.471 -26.6312 -33.1372 94.0202 134.562 -371.836 PRESSAVG: 2452400 11.3128 -8.92748 -41.7474 -8.92744 28.0484 -25.7905 -41.7474 -25.7905 -7.43778 GPRESSAVG: 2452400 11.3123 -9.58776 -41.468 -9.40138 28.8724 -28.635 -41.9988 -24.4054 -8.81683 TIMING: 2452400 CPU: 7747.8, 0.00322507/step Wall: 7747.8, 0.00322507/step, 2.28227 hours remaining, 237.507812 MB of memory in use. ENERGY: 2452400 4005.2775 20457.1062 14429.1453 248.0089 -203728.2096 2530.2319 0.0000 0.0000 52460.5072 -109597.9325 301.4913 -162058.4397 -109235.7448 299.5182 -193.1239 -160.9264 760189.3960 10.6411 10.4560 PRESSURE: 2452600 -467.927 91.5395 -67.0475 91.5399 -87.9396 206.631 -67.0475 206.631 18.9344 GPRESSURE: 2452600 -359.593 127.835 23.1597 142.673 -80.8234 147.112 -7.87695 144.897 -20.0671 PRESSAVG: 2452600 64.4369 27.6791 -19.511 27.6791 -2.63697 -3.14712 -19.511 -3.14715 -0.225895 GPRESSAVG: 2452600 64.51 29.2538 -19.0594 28.481 -2.6669 -1.55849 -20.8038 -4.28215 -0.461047 TIMING: 2452600 CPU: 7748.43, 0.00317259/step Wall: 7748.43, 0.00317259/step, 2.24496 hours remaining, 237.710938 MB of memory in use. ENERGY: 2452600 4062.0735 20438.6784 14343.6150 255.5822 -203115.6446 2378.9712 0.0000 0.0000 52125.5318 -109511.1926 299.5661 -161636.7244 -109156.9891 299.5618 -178.9773 -153.4944 761760.9398 20.5247 20.4607 PRESSURE: 2452800 31.9619 2.30334 186.265 2.30488 -128.397 -139.063 186.265 -139.064 32.4355 GPRESSURE: 2452800 -46.0026 -63.9538 120.235 36.4713 18.0382 -211.457 219.486 -2.16178 53.9996 PRESSAVG: 2452800 13.823 -41.0641 6.1213 -41.0642 4.00587 -36.7486 6.12128 -36.7486 31.1879 GPRESSAVG: 2452800 12.3793 -42.1926 6.89358 -39.1775 4.11369 -37.9334 6.3962 -33.9581 32.8518 TIMING: 2452800 CPU: 7749.06, 0.00315361/step Wall: 7749.06, 0.00315361/step, 2.23136 hours remaining, 237.710938 MB of memory in use. ENERGY: 2452800 4049.2382 20526.9068 14348.1791 254.7978 -203308.1326 2608.6505 0.0000 0.0000 52139.9445 -109380.4158 299.6490 -161520.3603 -109015.0531 299.6521 -21.3332 8.6784 761215.2589 16.3389 16.4483 PRESSURE: 2453000 -21.7348 -20.2178 -108.307 -20.2166 -125.878 95.3878 -108.307 95.3867 -175.717 GPRESSURE: 2453000 113.131 36.6393 -125.92 0.174714 -216.202 22.7811 17.1868 274.969 -148.075 PRESSAVG: 2453000 0.0513646 -49.8148 -19.7989 -49.8147 -4.43137 -4.07247 -19.7989 -4.07247 4.86462 GPRESSAVG: 2453000 -0.0648148 -49.5494 -21.384 -51.6596 -4.39156 -4.37363 -19.8931 -5.26037 5.18099 TIMING: 2453000 CPU: 7749.69, 0.00315144/step Wall: 7749.69, 0.00315144/step, 2.22965 hours remaining, 237.710938 MB of memory in use. ENERGY: 2453000 3995.8542 20502.6079 14422.8223 254.0093 -203459.3394 2628.9063 0.0000 0.0000 52157.2189 -109497.9206 299.7483 -161655.1395 -109130.9408 299.4299 -107.7764 -83.7154 760745.8521 0.1615 0.2415 PRESSURE: 2453200 -110.789 -35.3241 -9.16193 -35.3243 32.8514 27.7794 -9.16172 27.7778 81.9173 GPRESSURE: 2453200 -35.7577 8.21726 -28.9451 -16.341 64.0435 76.3219 -62.3917 89.6816 83.5601 PRESSAVG: 2453200 -9.05976 -69.563 70.8947 -69.563 -19.5795 -6.99273 70.8947 -6.99271 -19.5159 GPRESSAVG: 2453200 -7.36969 -68.451 70.7019 -70.4009 -19.7006 -6.69261 69.8802 -6.18187 -20.4606 TIMING: 2453200 CPU: 7750.33, 0.00316016/step Wall: 7750.33, 0.00316016/step, 2.23564 hours remaining, 237.710938 MB of memory in use. ENERGY: 2453200 3983.5633 20554.0237 14392.6553 249.9328 -203351.1657 2387.6122 0.0000 0.0000 52036.7974 -109746.5810 299.0562 -161783.3784 -109388.7703 299.0802 1.3266 37.2820 761556.7378 -16.0517 -15.8437 PRESSURE: 2453400 -81.9304 -122.888 -151.813 -122.889 -102.262 6.2704 -151.812 6.2711 130.118 GPRESSURE: 2453400 -6.91477 -103.094 -212.403 -103.338 -99.2049 -59.5953 -128.913 -72.4836 123.756 PRESSAVG: 2453400 2.73508 -64.8811 45.5866 -64.8811 -35.7976 -5.25285 45.5865 -5.25285 1.56412 GPRESSAVG: 2453400 2.79455 -67.1424 46.973 -64.1198 -36.2407 -4.03252 44.5247 -8.46221 2.65866 TIMING: 2453400 CPU: 7750.96, 0.00316415/step Wall: 7750.96, 0.00316415/step, 2.23829 hours remaining, 237.710938 MB of memory in use. ENERGY: 2453400 3915.6293 20450.3016 14398.0042 239.7230 -203215.3421 2503.2588 0.0000 0.0000 51814.4908 -109893.9344 297.7786 -161708.4252 -109534.4724 298.1620 -18.0248 5.8788 761482.9155 -10.4995 -10.2625 PRESSURE: 2453600 167.493 -130.753 -127.142 -130.753 57.5551 165.073 -127.142 165.072 193.57 GPRESSURE: 2453600 177.774 -83.7818 -146.329 -57.5117 68.9903 208.176 -144.253 136.687 253.872 PRESSAVG: 2453600 13.6527 -63.1746 45.2235 -63.1746 3.84165 30.6564 45.2235 30.6564 33.1681 GPRESSAVG: 2453600 15.4863 -60.5593 43.8126 -62.4399 2.51062 30.4784 47.5444 30.9542 32.2134 TIMING: 2453600 CPU: 7751.59, 0.00314633/step Wall: 7751.59, 0.00314633/step, 2.22551 hours remaining, 237.710938 MB of memory in use. ENERGY: 2453600 3965.0201 20535.7255 14434.0101 248.1300 -203871.9154 2968.7371 0.0000 0.0000 51780.5018 -109939.7908 297.5833 -161720.2926 -109588.5123 298.4027 139.5392 166.8788 760255.5633 16.8875 16.7368 PRESSURE: 2453800 19.6665 -186.839 -188.495 -186.839 289.821 -145.453 -188.494 -145.453 -211.646 GPRESSURE: 2453800 2.16091 -170.563 -193.198 -96.0587 363.157 -70.7174 -173.7 -15.1123 -190.089 PRESSAVG: 2453800 -53.8638 -46.0641 8.43497 -46.0641 21.0431 5.43203 8.435 5.43199 4.20851 GPRESSAVG: 2453800 -56.3656 -48.3015 9.25613 -46.9037 22.2547 4.08899 10.4346 8.73746 5.26062 TIMING: 2453800 CPU: 7752.22, 0.00314036/step Wall: 7752.22, 0.00314036/step, 2.2211 hours remaining, 237.710938 MB of memory in use. ENERGY: 2453800 3981.5188 20614.5216 14410.7081 238.9979 -204114.6287 2949.7361 0.0000 0.0000 52066.7555 -109852.3908 299.2284 -161919.1463 -109490.0526 298.2594 32.6140 58.4097 760467.8541 -9.5374 -9.6168 PRESSURE: 2454000 153.339 -28.9322 16.5763 -28.9326 -26.7902 -157.228 16.576 -157.228 -191.051 GPRESSURE: 2454000 158.913 -35.6394 61.4672 -80.3728 23.9784 -128.871 33.3788 -204.895 -146.603 PRESSAVG: 2454000 -16.139 -39.3197 -5.80843 -39.3196 48.7263 21.9548 -5.80841 21.9548 9.76535 GPRESSAVG: 2454000 -14.1708 -38.8477 -6.34359 -37.928 48.0353 22.5146 -8.75898 21.0118 8.18854 TIMING: 2454000 CPU: 7752.85, 0.00315656/step Wall: 7752.85, 0.00315656/step, 2.23239 hours remaining, 237.710938 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: 2454000 3964.1424 20477.9580 14445.9544 254.7010 -203760.3776 2785.9637 0.0000 0.0000 52174.2085 -109657.4496 299.8459 -161831.6581 -109292.4221 298.9417 -21.5009 12.0964 761250.6358 14.1175 14.0177 PRESSURE: 2454200 167.987 266.752 -187.781 266.751 11.0479 11.4238 -187.781 11.4239 469.527 GPRESSURE: 2454200 170.928 186.498 -194.986 99.4333 71.7333 66.4383 -64.4042 12.9627 511.694 PRESSAVG: 2454200 -4.43848 -1.73543 -42.019 -1.73541 36.5084 -48.9585 -42.019 -48.9585 3.62026 GPRESSAVG: 2454200 -5.81957 -0.550439 -42.4384 -2.78426 36.6565 -49.829 -42.2658 -48.872 4.25342 TIMING: 2454200 CPU: 7753.48, 0.0031631/step Wall: 7753.48, 0.0031631/step, 2.23684 hours remaining, 237.710938 MB of memory in use. ENERGY: 2454200 3941.7987 20483.7182 14403.3248 243.4840 -203788.7539 3062.1107 0.0000 0.0000 51988.7040 -109665.6134 298.7798 -161654.3174 -109299.4977 298.9626 216.1872 251.4519 760110.8599 11.8967 11.6968 PRESSURE: 2454400 -57.4443 -53.7272 -150.576 -53.7277 206.45 -6.74038 -150.575 -6.73936 -180.739 GPRESSURE: 2454400 -30.9896 -130.374 -96.6741 87.9081 254.938 9.12421 -195.45 -115.533 -169.854 PRESSAVG: 2454400 4.78719 -11.5442 47.1502 -11.5442 14.5406 -28.1439 47.1502 -28.1439 18.8479 GPRESSAVG: 2454400 5.36841 -11.5561 48.0393 -11.204 13.3022 -27.6886 47.5117 -30.1188 19.1847 TIMING: 2454400 CPU: 7754.11, 0.00315392/step Wall: 7754.11, 0.00315392/step, 2.23017 hours remaining, 237.968750 MB of memory in use. ENERGY: 2454400 3975.2838 20442.4554 14394.9504 234.1663 -203367.8549 2639.7460 0.0000 0.0000 51816.4761 -109864.7769 297.7900 -161681.2530 -109494.2399 298.7022 -10.5776 18.0314 762445.5461 12.7252 12.6184 PRESSURE: 2454600 -76.1082 -23.2705 -38.704 -23.2706 65.438 150.222 -38.7045 150.223 189.181 GPRESSURE: 2454600 -25.4398 49.9354 24.6884 -94.5577 106.922 159.597 -117.155 232.152 169.163 PRESSAVG: 2454600 -27.6651 -8.33064 12.6956 -8.33063 -9.26376 -32.2162 12.6956 -32.2162 -0.510268 GPRESSAVG: 2454600 -27.6238 -8.82782 11.8625 -8.50091 -9.61357 -30.5128 11.8062 -34.5377 -0.0128421 TIMING: 2454600 CPU: 7754.75, 0.00317047/step Wall: 7754.75, 0.00317047/step, 2.2417 hours remaining, 237.968750 MB of memory in use. ENERGY: 2454600 3929.1019 20502.2722 14374.1185 265.5869 -203535.4077 2579.4349 0.0000 0.0000 51863.3673 -110021.5260 298.0595 -161884.8933 -109658.5099 298.3569 59.5037 83.5483 761724.4540 -12.4797 -12.4167 PRESSURE: 2454800 36.754 -148.64 206.903 -148.64 204.475 -78.9594 206.905 -78.9592 -189.319 GPRESSURE: 2454800 45.4614 -161.222 118.238 -24.4084 267.335 -18.0947 200.277 -10.3176 -181.704 PRESSAVG: 2454800 23.9626 -11.9597 -16.1049 -11.9597 19.8869 17.1806 -16.1049 17.1805 5.18433 GPRESSAVG: 2454800 23.6909 -13.7557 -16.3436 -11.7616 20.6394 15.1321 -14.6446 19.381 4.82316 TIMING: 2454800 CPU: 7755.38, 0.00317184/step Wall: 7755.38, 0.00317184/step, 2.24249 hours remaining, 237.968750 MB of memory in use. ENERGY: 2454800 3970.5645 20609.5648 14451.7615 250.1501 -203811.1746 2700.7095 0.0000 0.0000 51897.5156 -109930.9085 298.2557 -161828.4241 -109580.1118 297.9921 17.3034 43.6973 760631.5982 16.3446 16.3845 PRESSURE: 2455000 -12.4147 98.4865 -147.636 98.4864 -65.2071 367.04 -147.634 367.04 -79.072 GPRESSURE: 2455000 20.3419 125.098 -76.1455 185.665 -68.7178 326.34 -185.938 198.305 -33.2724 PRESSAVG: 2455000 -31.0134 -36.6592 -49.7998 -36.6593 -24.6814 72.0179 -49.7999 72.0179 7.82568 GPRESSAVG: 2455000 -32.3065 -37.4516 -49.8533 -34.3614 -23.9289 73.6443 -50.452 73.3626 8.18098 TIMING: 2455000 CPU: 7756.01, 0.00316499/step Wall: 7756.01, 0.00316499/step, 2.23747 hours remaining, 237.968750 MB of memory in use. ENERGY: 2455000 3921.9606 20667.2002 14409.0187 237.2269 -203548.6030 2746.8900 0.0000 0.0000 51871.9093 -109694.3974 298.1086 -161566.3067 -109338.7685 298.2032 -52.2312 -27.2161 762265.4209 -15.9564 -16.0182 PRESSURE: 2455200 -5.61912 -37.666 -100.219 -37.6656 -312.894 -104.301 -100.219 -104.301 -91.8264 GPRESSURE: 2455200 43.0725 -69.8877 -46.0901 -42.0701 -321.08 -56.4445 -45.6634 104.573 -58.8799 PRESSAVG: 2455200 -50.2409 -59.5666 5.29042 -59.5666 25.1973 35.2849 5.29042 35.285 -4.79129 GPRESSAVG: 2455200 -50.0358 -57.4243 6.67682 -61.8956 24.599 36.8808 4.6783 33.7404 -4.62941 TIMING: 2455200 CPU: 7756.64, 0.00315552/step Wall: 7756.64, 0.00315552/step, 2.2306 hours remaining, 237.968750 MB of memory in use. ENERGY: 2455200 3948.1108 20471.7416 14445.4740 257.0854 -203251.6983 2601.7680 0.0000 0.0000 52080.1377 -109447.3808 299.3053 -161527.5186 -109074.9733 298.7903 -136.7798 -112.2957 763163.7887 -9.9450 -10.0221 PRESSURE: 2455400 -74.4006 -299.718 -130.128 -299.718 -140.479 109.468 -130.129 109.468 -41.142 GPRESSURE: 2455400 -17.9684 -239.61 -225.825 -166.915 -101.588 23.4308 36.1437 131.054 -66.3651 PRESSAVG: 2455400 3.69399 -79.9476 5.4817 -79.9475 5.96524 -12.0153 5.48168 -12.0153 -8.24763 GPRESSAVG: 2455400 4.19504 -81.1038 5.27853 -78.9651 6.19883 -13.477 5.83658 -11.1696 -8.99597 TIMING: 2455400 CPU: 7757.27, 0.00315411/step Wall: 7757.27, 0.00315411/step, 2.22943 hours remaining, 237.968750 MB of memory in use. ENERGY: 2455400 3973.7605 20728.2504 14392.2928 238.3884 -203432.4155 2499.6830 0.0000 0.0000 51917.0840 -109682.9563 298.3682 -161600.0403 -109327.1408 299.1123 -85.3404 -61.9737 762337.1610 0.4705 0.4660 PRESSURE: 2455600 -322.181 89.106 -18.3763 89.1055 -64.6579 36.9477 -18.3755 36.9483 -310.756 GPRESSURE: 2455600 -228.666 74.52 -41.6881 44.1799 -42.602 118.312 -91.3456 32.2001 -333.677 PRESSAVG: 2455600 -79.2548 -65.1435 -2.53973 -65.1434 48.587 -49.6793 -2.53968 -49.6793 -0.352063 GPRESSAVG: 2455600 -78.4306 -63.2501 -4.34065 -66.2697 48.8916 -49.1791 -2.88556 -51.262 -1.09908 TIMING: 2455600 CPU: 7757.9, 0.00315248/step Wall: 7757.9, 0.00315248/step, 2.22811 hours remaining, 237.968750 MB of memory in use. ENERGY: 2455600 4060.8168 20479.0395 14509.9346 230.3935 -203403.9863 2710.8752 0.0000 0.0000 51772.4631 -109640.4635 297.5371 -161412.9267 -109283.6481 298.3714 -232.5318 -201.6485 762199.7845 -10.3400 -10.2127 PRESSURE: 2455800 66.6972 31.3945 -256.76 31.3946 -234.712 -237.733 -256.76 -237.732 96.1587 GPRESSURE: 2455800 106.762 194.204 -311.245 68.8517 -185.343 -211.026 -216.608 -338.388 96.465 PRESSAVG: 2455800 -12.1888 -11.4649 10.0567 -11.4649 61.2603 12.8085 10.0567 12.8084 -4.42585 GPRESSAVG: 2455800 -12.5185 -13.5718 11.0766 -9.18687 60.2112 12.1977 10.3545 13.9235 -2.83904 TIMING: 2455800 CPU: 7758.53, 0.00314412/step Wall: 7758.53, 0.00314412/step, 2.22202 hours remaining, 237.968750 MB of memory in use. ENERGY: 2455800 4029.0198 20376.5708 14448.8721 264.8342 -203412.6022 2542.2331 0.0000 0.0000 51943.8941 -109807.1782 298.5223 -161751.0723 -109444.7778 298.3701 -23.9520 5.9614 761477.2353 14.8819 14.9512 PRESSURE: 2456000 -421.501 120.792 353.963 120.793 -110.533 141.165 353.964 141.166 -226.582 GPRESSURE: 2456000 -356.79 149.512 288.901 152.041 -133.136 94.9293 364.046 136.425 -159.41 PRESSAVG: 2456000 6.60639 -35.4258 -32.9346 -35.4258 12.2287 -17.0907 -32.9347 -17.0907 23.4995 GPRESSAVG: 2456000 6.82141 -33.6428 -32.2495 -37.0057 12.7614 -17.9988 -32.3533 -17.1753 22.977 TIMING: 2456000 CPU: 7759.16, 0.00315145/step Wall: 7759.16, 0.00315145/step, 2.22703 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: 2456000 3997.0406 20476.4759 14421.3847 259.5647 -202915.3836 2249.0634 0.0000 0.0000 51771.7870 -109740.0673 297.5332 -161511.8543 -109379.6913 298.3342 -252.8717 -216.4454 762092.7801 14.1115 14.1866 PRESSURE: 2456200 -72.8298 -154.854 272.485 -154.855 134.219 168.318 272.485 168.318 -0.451327 GPRESSURE: 2456200 -91.2595 -214.819 265.537 -144.74 257.148 179.991 266.162 144.953 -15.0286 PRESSAVG: 2456200 -11.1846 -28.0923 9.23045 -28.0923 33.6849 25.186 9.23043 25.1861 8.45483 GPRESSAVG: 2456200 -10.4015 -28.2118 7.3263 -28.1566 33.461 26.7422 9.80065 27.2246 7.86752 TIMING: 2456200 CPU: 7759.8, 0.00316045/step Wall: 7759.8, 0.00316045/step, 2.23321 hours remaining, 237.968750 MB of memory in use. ENERGY: 2456200 4026.6218 20475.3980 14393.4730 227.3552 -203820.9664 2896.1522 0.0000 0.0000 51819.2496 -109982.7167 297.8059 -161801.9663 -109625.0868 298.7352 20.3126 50.2866 763204.9125 10.3184 10.3090 LDB: ============= START OF LOAD BALANCING ============== 7772.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7772.33 LDB: =============== DONE WITH MIGRATION ================ 7772.33 LDB: ============= START OF LOAD BALANCING ============== 7772.65 LDB: Largest compute 7077 load 0.034382 is 17.6% of average load 0.195490 LDB: Average compute 0.004408 is 2.3% of average load 0.195490 LDB: TIME 7772.65 LOAD: AVG 0.19549 MAX 0.219661 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.641 MB LDB: TIME 7772.65 LOAD: AVG 0.19549 MAX 0.219661 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.898 MB LDB: TIME 7772.65 LOAD: AVG 0.19549 MAX 0.217477 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.898 MB LDB: ============== END OF LOAD BALANCING =============== 7772.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7772.66 PRESSURE: 2456400 402.556 71.1793 22.9834 71.1788 101.371 136.717 22.9835 136.715 19.0829 GPRESSURE: 2456400 493.03 -47.3809 50.9848 26.6247 76.8788 113.147 16.5979 105.699 25.4759 PRESSAVG: 2456400 1.34201 -45.1229 46.0722 -45.1229 21.2442 24.9287 46.0721 24.9286 -8.74317 GPRESSAVG: 2456400 1.77857 -44.8348 47.5843 -45.2869 21.4953 24.4715 44.2558 23.0448 -8.87546 TIMING: 2456400 CPU: 7760.44, 0.00323008/step Wall: 7760.44, 0.00323008/step, 2.28223 hours remaining, 236.285156 MB of memory in use. ENERGY: 2456400 3992.0495 20640.3896 14442.7270 276.5211 -204618.9210 3447.6431 0.0000 0.0000 51978.4873 -109841.1034 298.7211 -161819.5908 -109482.9502 298.3409 174.3368 198.4616 761431.2928 4.6143 4.7995 PRESSURE: 2456600 -85.8899 81.6212 234.424 81.621 -171.393 51.5776 234.424 51.5781 -39.6184 GPRESSURE: 2456600 -115.248 14.9388 219.368 98.1353 -25.3958 -75.294 99.8397 119.685 -50.2201 PRESSAVG: 2456600 31.0531 -29.7107 36.7619 -29.7107 1.26709 3.62103 36.7618 3.62104 -3.713 GPRESSAVG: 2456600 30.1784 -29.291 35.8717 -31.6195 1.57404 3.2197 36.9601 4.46178 -3.9653 TIMING: 2456600 CPU: 7761.07, 0.00315547/step Wall: 7761.07, 0.00315547/step, 2.22934 hours remaining, 236.285156 MB of memory in use. ENERGY: 2456600 3976.6576 20494.6821 14381.9275 240.7664 -203804.8187 2593.8192 0.0000 0.0000 52179.2691 -109937.6969 299.8750 -162116.9659 -109580.3515 298.7699 -98.9670 -63.6214 763013.7939 9.5357 9.2624 PRESSURE: 2456800 -563.061 83.2947 -208.141 83.2956 -187.705 166.464 -208.141 166.465 -97.0948 GPRESSURE: 2456800 -498.967 41.5951 -145.362 73.706 -117.675 148.066 -205.818 71.2533 -118.179 PRESSAVG: 2456800 -86.7294 -55.1693 7.02249 -55.1693 70.2403 44.8199 7.02246 44.8199 -16.5662 GPRESSAVG: 2456800 -87.5849 -54.0903 8.4152 -52.5263 71.1857 45.6757 6.47066 43.6512 -16.5741 TIMING: 2456800 CPU: 7761.71, 0.00316891/step Wall: 7761.71, 0.00316891/step, 2.23866 hours remaining, 236.285156 MB of memory in use. ENERGY: 2456800 3998.0465 20386.1506 14337.9002 226.4114 -203481.5666 2556.5659 0.0000 0.0000 52019.1021 -109957.3900 298.9545 -161976.4920 -109592.1315 298.2658 -282.6205 -244.9404 762283.7966 -11.0184 -10.9911 PRESSURE: 2457000 -144.849 -120.727 83.5879 -120.727 -249.979 30.7138 83.5878 30.7137 -49.078 GPRESSURE: 2457000 -80.787 23.237 83.3753 -99.7497 -196.694 138.899 -13.5106 -57.3077 -74.9033 PRESSAVG: 2457000 -29.6594 -27.578 36.17 -27.5781 13.6631 -33.4858 36.17 -33.4859 0.359505 GPRESSAVG: 2457000 -28.2464 -27.3686 35.4636 -28.5733 12.7263 -31.7554 36.461 -34.3803 0.12655 TIMING: 2457000 CPU: 7762.34, 0.00316744/step Wall: 7762.34, 0.00316744/step, 2.23745 hours remaining, 236.285156 MB of memory in use. ENERGY: 2457000 4010.2431 20466.5681 14348.8861 257.0224 -203664.4637 2678.4565 0.0000 0.0000 51964.3192 -109938.9682 298.6397 -161903.2874 -109576.2026 298.2419 -147.9689 -117.4616 761313.9002 -5.2123 -5.1312 PRESSURE: 2457200 264.09 -4.6704 118.066 -4.67028 209.091 -52.0216 118.066 -52.0211 -94.0437 GPRESSURE: 2457200 300.44 93.0557 182.537 -96.6 184.475 -74.9814 121.535 -80.3899 -23.8378 PRESSAVG: 2457200 -21.3198 13.0448 16.1199 13.0448 31.7212 -10.3328 16.1198 -10.3328 0.493977 GPRESSAVG: 2457200 -22.5884 12.7994 16.1091 12.5935 31.8108 -13.3653 15.722 -8.16651 1.21389 TIMING: 2457200 CPU: 7762.97, 0.00315568/step Wall: 7762.97, 0.00315568/step, 2.22896 hours remaining, 236.285156 MB of memory in use. ENERGY: 2457200 3943.9147 20583.9503 14394.3611 253.2326 -203594.0846 2738.5044 0.0000 0.0000 51824.7213 -109855.4003 297.8374 -161680.1215 -109494.2955 298.4965 126.3789 153.6922 759909.8175 3.6318 3.4788 PRESSURE: 2457400 -206.69 -40.2401 117.879 -40.2402 -111.32 -119.062 117.879 -119.063 -643.27 GPRESSURE: 2457400 -118.251 -23.2069 134.553 104.982 -166.761 -120.924 62.0314 -164.323 -606.315 PRESSAVG: 2457400 8.73217 -28.4172 -1.50144 -28.4172 31.934 -7.75315 -1.50145 -7.75322 20.7648 GPRESSAVG: 2457400 9.64784 -28.9025 -2.73884 -28.3482 32.5638 -6.94166 0.035389 -7.29804 19.2955 TIMING: 2457400 CPU: 7763.61, 0.00317037/step Wall: 7763.61, 0.00317037/step, 2.23916 hours remaining, 236.285156 MB of memory in use. ENERGY: 2457400 4053.9743 20572.7363 14425.6372 222.4932 -203464.3771 2485.8100 0.0000 0.0000 52070.3753 -109633.3508 299.2492 -161703.7261 -109266.6688 298.5662 -320.4267 -297.1091 761448.6686 20.4770 20.5024 PRESSURE: 2457600 -172.319 44.7526 231.798 44.7525 306.241 22.2439 231.798 22.244 104.855 GPRESSURE: 2457600 -98.9373 -32.9713 187.186 93.9346 238.195 21.1599 231.276 70.7617 168.845 PRESSAVG: 2457600 2.90451 -8.86358 8.9308 -8.86352 -9.7997 -6.98977 8.93085 -6.98981 9.29752 GPRESSAVG: 2457600 2.17984 -9.09838 9.30724 -8.19711 -10.1982 -7.42147 8.04909 -7.55804 11.4499 TIMING: 2457600 CPU: 7764.24, 0.00317732/step Wall: 7764.24, 0.00317732/step, 2.24389 hours remaining, 236.285156 MB of memory in use. ENERGY: 2457600 3966.7790 20597.0729 14431.9528 258.3013 -203353.0099 2648.9843 0.0000 0.0000 51809.2347 -109640.6850 297.7484 -161449.9196 -109291.2078 298.9414 79.5922 102.7008 761329.3601 0.8008 1.1438 PRESSURE: 2457800 155.155 131.223 -41.1183 131.223 -74.5062 251.187 -41.1185 251.186 289.995 GPRESSURE: 2457800 202.238 -35.9705 -83.1063 143.744 -118.561 231.886 43.2572 232.385 368.774 PRESSAVG: 2457800 -71.0621 -12.8281 -6.13492 -12.8281 58.0708 -33.2238 -6.13496 -33.2238 -10.8345 GPRESSAVG: 2457800 -70.8297 -14.0208 -5.80508 -13.6466 57.5755 -32.8873 -4.58105 -34.2407 -10.8406 TIMING: 2457800 CPU: 7764.87, 0.00315869/step Wall: 7764.87, 0.00315869/step, 2.23056 hours remaining, 236.285156 MB of memory in use. ENERGY: 2457800 3985.3417 20477.1103 14483.0561 271.5348 -203210.9409 2662.3905 0.0000 0.0000 51752.2114 -109579.2961 297.4207 -161331.5075 -109218.0608 298.5870 123.5480 150.8171 763318.8009 -7.9419 -8.0316 PRESSURE: 2458000 196.744 315.572 -31.6288 315.572 354.574 -2.97912 -31.6293 -2.97928 189.64 GPRESSURE: 2458000 275.937 337.348 -82.6225 277.552 391.776 84.4915 -200.436 115.013 167.433 PRESSAVG: 2458000 -8.49141 -10.1978 -21.2229 -10.1978 24.5038 -9.03724 -21.2229 -9.0372 -22.6939 GPRESSAVG: 2458000 -7.36556 -8.68037 -21.5653 -9.90272 24.7379 -8.61031 -23.3089 -6.93067 -23.7253 TIMING: 2458000 CPU: 7765.5, 0.00313467/step Wall: 7765.5, 0.00313467/step, 2.21343 hours remaining, 236.285156 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: 2458000 4027.9907 20460.3697 14414.5278 251.0027 -203777.1919 2977.4439 0.0000 0.0000 51884.9072 -109760.9499 298.1833 -161645.8571 -109405.8295 298.2327 246.9859 278.3822 760096.3818 -2.2272 -2.1177 PRESSURE: 2458200 -393.54 -115.804 -113.111 -115.804 -161.039 -376.601 -113.11 -376.6 202.338 GPRESSURE: 2458200 -340.02 -87.8669 -23.662 -175.214 -139.12 -392.205 -127.658 -309.693 190.171 PRESSAVG: 2458200 19.3467 -7.47533 30.322 -7.47539 1.09726 -48.078 30.3219 -48.078 -15.4256 GPRESSAVG: 2458200 18.0837 -6.88606 32.4069 -6.89135 1.51682 -48.3168 30.1934 -49.33 -14.3389 TIMING: 2458200 CPU: 7766.13, 0.00315164/step Wall: 7766.13, 0.00315164/step, 2.22524 hours remaining, 236.285156 MB of memory in use. ENERGY: 2458200 3989.7438 20564.3125 14442.5478 247.0200 -203207.9922 2510.6000 0.0000 0.0000 51901.4830 -109552.2851 298.2785 -161453.7681 -109187.4263 298.5905 -117.4135 -96.3228 760478.2788 1.6728 1.7539 PRESSURE: 2458400 -70.5707 86.0384 22.7947 86.0385 211.301 157.32 22.7941 157.319 -274.751 GPRESSURE: 2458400 -21.3788 -3.07894 49.8943 56.7863 210.673 168.423 -139.766 158.65 -236.299 PRESSAVG: 2458400 -48.3475 -38.441 0.730381 -38.4411 26.2886 -24.6714 0.730349 -24.6714 -1.40443 GPRESSAVG: 2458400 -47.8372 -40.4356 0.11828 -39.2244 25.4034 -23.9245 0.957988 -26.2343 -0.779414 TIMING: 2458400 CPU: 7766.76, 0.00315612/step Wall: 7766.76, 0.00315612/step, 2.22822 hours remaining, 236.285156 MB of memory in use. ENERGY: 2458400 3953.2683 20499.8851 14409.7441 231.4046 -202994.4167 2253.1466 0.0000 0.0000 51936.6820 -109710.2860 298.4808 -161646.9680 -109352.0874 298.6024 -44.6736 -15.6685 761140.5781 -7.8211 -7.7377 PRESSURE: 2458600 -339.457 -9.92421 -122.027 -9.92381 -131.654 -51.0078 -122.027 -51.0076 -323.478 GPRESSURE: 2458600 -292.524 48.9895 -154.57 -37.0105 -136.992 -10.3414 -78.36 -87.731 -280.751 PRESSAVG: 2458600 -49.6343 -13.0967 -42.0456 -13.0967 -8.76834 6.36852 -42.0457 6.36849 1.87804 GPRESSAVG: 2458600 -50.2101 -12.7993 -42.7296 -10.7634 -7.0908 7.10187 -41.412 8.41044 1.07522 TIMING: 2458600 CPU: 7767.4, 0.00317847/step Wall: 7767.4, 0.00317847/step, 2.24382 hours remaining, 236.285156 MB of memory in use. ENERGY: 2458600 4088.7649 20272.0710 14429.7014 245.5527 -203558.7099 2570.7199 0.0000 0.0000 52030.1404 -109921.7595 299.0179 -161951.8999 -109557.4088 298.0829 -264.8630 -236.7556 762455.7176 -18.8415 -18.7419 PRESSURE: 2458800 80.175 -116.904 -70.3506 -116.903 -3.18198 71.1673 -70.3506 71.1677 -86.8426 GPRESSURE: 2458800 103.306 -97.1876 -86.2788 -37.8331 39.9194 101.75 -20.2496 77.6148 -69.8321 PRESSAVG: 2458800 -26.6764 -12.9508 21.2211 -12.9509 58.4478 1.2412 21.2211 1.24126 16.8644 GPRESSAVG: 2458800 -28.0782 -13.0712 19.8196 -12.1277 58.5382 -0.464524 21.7703 -1.05097 18.2122 TIMING: 2458800 CPU: 7768.03, 0.00316762/step Wall: 7768.03, 0.00316762/step, 2.23599 hours remaining, 236.285156 MB of memory in use. ENERGY: 2458800 4007.3421 20376.0062 14386.3447 250.8786 -203676.4096 2662.9086 0.0000 0.0000 51968.6232 -110024.3061 298.6644 -161992.9293 -109653.7987 298.6539 -3.2832 24.4645 761537.1839 16.2119 16.2241 PRESSURE: 2459000 -79.128 187.699 107.385 187.7 -249.51 -233.476 107.386 -233.475 -279.05 GPRESSURE: 2459000 -94.5885 130.844 150.35 137.26 -207.715 -140.834 205.589 -275.724 -214.972 PRESSAVG: 2459000 -20.205 -11.4573 13.4602 -11.4573 28.292 -13.4913 13.4602 -13.4913 -14.0677 GPRESSAVG: 2459000 -19.7997 -11.3298 13.8308 -12.5125 29.3173 -10.0384 15.034 -13.1899 -15.6063 TIMING: 2459000 CPU: 7768.66, 0.00315657/step Wall: 7768.66, 0.00315657/step, 2.22801 hours remaining, 236.285156 MB of memory in use. ENERGY: 2459000 3986.2660 20235.2747 14432.2555 227.7353 -203154.5574 2330.2887 0.0000 0.0000 51940.8852 -110001.8520 298.5050 -161942.7372 -109639.8165 297.4950 -202.5628 -172.4251 762062.1105 -1.9936 -2.0296 PRESSURE: 2459200 -205.485 -165.582 43.7077 -165.582 163.787 151.084 43.707 151.084 126.371 GPRESSURE: 2459200 -81.5573 -168.519 49.5758 -19.2085 164.534 177.823 1.14443 208.817 90.3302 PRESSAVG: 2459200 -16.4055 -20.145 56.9214 -20.145 25.0001 17.3086 56.9215 17.3086 4.22302 GPRESSAVG: 2459200 -15.5225 -20.5696 58.0317 -21.7891 25.5429 14.3117 54.9692 19.2586 3.01583 TIMING: 2459200 CPU: 7769.29, 0.00315574/step Wall: 7769.29, 0.00315574/step, 2.22725 hours remaining, 236.285156 MB of memory in use. ENERGY: 2459200 3943.2782 20418.8586 14475.1653 254.9132 -203762.9366 2816.6703 0.0000 0.0000 51877.0647 -109976.9863 298.1382 -161854.0511 -109615.8894 297.7924 28.2244 57.7689 761259.6228 4.2725 4.3454 PRESSURE: 2459400 3.79656 55.7413 128.352 55.7418 214.502 92.3774 128.352 92.3765 128.513 GPRESSURE: 2459400 -124.929 -70.2533 164.24 0.202553 330.331 132.214 71.2798 20.6406 230.12 PRESSAVG: 2459400 -60.6313 -29.1546 65.533 -29.1546 65.5569 4.07018 65.5329 4.07017 6.45553 GPRESSAVG: 2459400 -60.0719 -29.0349 64.0203 -28.0179 64.5567 4.36606 65.8831 2.43575 7.29324 TIMING: 2459400 CPU: 7769.93, 0.00316996/step Wall: 7769.93, 0.00316996/step, 2.23711 hours remaining, 236.285156 MB of memory in use. ENERGY: 2459400 4012.0261 20454.7743 14385.1066 243.6739 -203644.8990 2711.3420 0.0000 0.0000 51834.5231 -110003.4529 297.8937 -161837.9760 -109646.6443 298.0105 115.6037 145.1742 760976.2093 3.7937 3.9260 PRESSURE: 2459600 70.265 122.736 -138.527 122.736 -311.988 -137.213 -138.528 -137.213 213.844 GPRESSURE: 2459600 90.6842 62.6588 -48.8854 66.5878 -222.66 -144.325 -116.211 -29.0455 202.552 PRESSAVG: 2459600 -5.2968 3.37927 -41.4396 3.37929 18.1904 -4.00704 -41.4397 -4.00692 -2.43798 GPRESSAVG: 2459600 -5.36291 2.95385 -40.9531 2.56169 17.8216 -5.27084 -41.9456 -3.36907 -2.59632 TIMING: 2459600 CPU: 7770.56, 0.00316516/step Wall: 7770.56, 0.00316516/step, 2.23354 hours remaining, 236.285156 MB of memory in use. ENERGY: 2459600 4089.3425 20457.2579 14436.9322 257.9538 -203480.3345 2533.6212 0.0000 0.0000 51852.2366 -109852.9903 297.9955 -161705.2269 -109512.4465 298.2972 -9.2929 23.5256 761763.2317 3.4852 3.2874 PRESSURE: 2459800 -544.64 115.347 52.6027 115.347 -14.8073 -17.8031 52.6029 -17.802 -436.055 GPRESSURE: 2459800 -452.823 33.736 35.9751 88.1567 -31.0337 -118.948 148.707 37.5031 -431.758 PRESSAVG: 2459800 -32.7624 -35.4436 -26.7891 -35.4435 57.0814 19.72 -26.7891 19.72 -5.20262 GPRESSAVG: 2459800 -33.6207 -35.1169 -26.1682 -37.0687 56.9496 19.4887 -24.7551 21.4891 -4.67098 TIMING: 2459800 CPU: 7771.19, 0.00315463/step Wall: 7771.19, 0.00315462/step, 2.22594 hours remaining, 236.285156 MB of memory in use. ENERGY: 2459800 4033.9877 20481.1759 14437.5956 242.2831 -203021.1511 2457.1343 0.0000 0.0000 51646.0400 -109722.9347 296.8105 -161368.9747 -109363.7740 298.3176 -331.8341 -305.2046 763727.5332 6.3721 6.2193 PRESSURE: 2460000 233.736 178.13 107.874 178.13 126.326 202.597 107.874 202.598 249.83 GPRESSURE: 2460000 236.321 163.615 71.0835 265.779 191.842 134.809 53.8996 183.94 270.094 PRESSAVG: 2460000 -37.292 -9.77435 42.639 -9.77431 39.2481 12.9539 42.639 12.9539 15.9774 GPRESSAVG: 2460000 -36.1784 -11.3956 43.0431 -8.81972 38.7197 11.4441 39.9674 12.3488 15.2385 TIMING: 2460000 CPU: 7771.82, 0.00316159/step Wall: 7771.82, 0.00316159/step, 2.23068 hours remaining, 236.285156 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: 2460000 3950.0444 20406.4632 14454.0841 252.3229 -203411.7125 2592.0877 0.0000 0.0000 52076.1519 -109680.5582 299.2824 -161756.7101 -109317.9880 298.3266 203.2977 232.7524 761907.3395 5.9779 5.9266 PRESSURE: 2460200 -249.85 -222.113 -137.738 -222.113 -280.026 -96.2719 -137.737 -96.2713 -240.112 GPRESSURE: 2460200 -174.202 -88.2129 -150.497 -278.272 -240.117 -8.75228 -165.616 -119.365 -272.923 PRESSAVG: 2460200 -40.1959 19.9653 18.1046 19.9653 22.1682 -8.20605 18.1046 -8.20602 -16.2831 GPRESSAVG: 2460200 -39.476 21.0889 16.9317 20.3041 22.1767 -4.56948 18.6313 -8.51663 -16.5137 TIMING: 2460200 CPU: 7772.46, 0.00316149/step Wall: 7772.46, 0.00316149/step, 2.23043 hours remaining, 236.285156 MB of memory in use. ENERGY: 2460200 4038.3564 20547.2554 14432.3261 239.0688 -203376.1494 2622.6020 0.0000 0.0000 51937.0787 -109559.4620 298.4831 -161496.5407 -109203.1944 298.5156 -256.6626 -229.0808 761777.6795 -11.4369 -11.2710 LDB: ============= START OF LOAD BALANCING ============== 7784.99 LDB: ============== END OF LOAD BALANCING =============== 7784.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7784.99 LDB: ============= START OF LOAD BALANCING ============== 7785.31 LDB: Largest compute 7077 load 0.034352 is 17.6% of average load 0.195560 LDB: Average compute 0.004383 is 2.2% of average load 0.195560 LDB: TIME 7785.31 LOAD: AVG 0.19556 MAX 0.214442 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 7785.31 LOAD: AVG 0.19556 MAX 0.214442 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: TIME 7785.31 LOAD: AVG 0.19556 MAX 0.214442 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: ============== END OF LOAD BALANCING =============== 7785.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7785.32 PRESSURE: 2460400 -383.874 69.3918 -160.265 69.3909 50.3065 -49.7396 -160.265 -49.7399 -51.6199 GPRESSURE: 2460400 -312.459 139.516 -101.721 137.738 34.6226 -87.1948 -55.8432 -56.0443 -27.9596 PRESSAVG: 2460400 26.7394 26.3771 -15.4278 26.3771 4.58201 -33.6858 -15.4277 -33.6857 10.8173 GPRESSAVG: 2460400 26.1911 28.3486 -14.8844 24.5589 3.86217 -35.8768 -15.4521 -34.0101 11.8016 TIMING: 2460400 CPU: 7773.1, 0.0032303/step Wall: 7773.1, 0.0032303/step, 2.2788 hours remaining, 234.996094 MB of memory in use. ENERGY: 2460400 3960.3418 20432.6974 14405.0023 234.3539 -203064.1027 2405.2262 0.0000 0.0000 52019.3047 -109607.1763 298.9557 -161626.4811 -109237.9223 298.8542 -128.3958 -101.9321 762000.5803 14.0462 13.9517 PRESSURE: 2460600 -86.4606 144.488 130.772 144.488 -200.565 -144.76 130.773 -144.759 625.337 GPRESSURE: 2460600 -68.1396 122.718 93.8286 11.4876 -108.53 -104.999 88.0832 -25.3006 588.891 PRESSAVG: 2460600 0.682862 23.3949 -82.9572 23.395 -11.8537 -19.0733 -82.9573 -19.0733 -35.1578 GPRESSAVG: 2460600 0.112558 23.0235 -81.4453 24.3236 -11.2212 -18.2955 -84.3438 -18.1223 -35.5254 TIMING: 2460600 CPU: 7773.73, 0.00315848/step Wall: 7773.73, 0.00315848/step, 2.22796 hours remaining, 234.996094 MB of memory in use. ENERGY: 2460600 3967.7202 20533.7625 14405.7030 258.2136 -202723.9133 2288.3200 0.0000 0.0000 51832.8866 -109437.3073 297.8843 -161270.1939 -109086.6553 298.7553 112.7705 137.4073 760491.8933 -15.4428 -15.5447 PRESSURE: 2460800 236.965 234.245 -207.944 234.245 -228.948 26.6174 -207.944 26.6171 -203.418 GPRESSURE: 2460800 219.405 129.054 -216.282 253.657 -92.9167 -30.312 -202.63 29.3081 -220.76 PRESSAVG: 2460800 19.1048 23.0589 -45.9903 23.0589 5.78916 29.6189 -45.9902 29.6189 -7.18896 GPRESSAVG: 2460800 20.082 21.3614 -45.8436 23.4244 5.23555 29.9654 -45.8239 27.4423 -7.37204 TIMING: 2460800 CPU: 7774.37, 0.00316725/step Wall: 7774.37, 0.00316725/step, 2.23397 hours remaining, 235.132812 MB of memory in use. ENERGY: 2460800 3921.9687 20410.2870 14444.2625 240.7014 -203144.9489 2430.4019 0.0000 0.0000 52059.7298 -109637.5976 299.1880 -161697.3274 -109272.2643 298.5699 -65.1336 -31.4241 761054.3321 5.9017 5.9819 PRESSURE: 2461000 134.84 298.689 10.0412 298.688 -143.288 -21.0459 10.0413 -21.0457 77.5775 GPRESSURE: 2461000 156.15 224.561 -55.0799 233.911 -76.5313 -4.87274 -69.4135 43.9735 63.8736 PRESSAVG: 2461000 -38.6863 -10.0719 -69.4347 -10.0719 42.8352 -48.6713 -69.4347 -48.6713 8.49843 GPRESSAVG: 2461000 -38.0487 -10.6729 -72.0656 -8.8688 42.432 -48.9587 -67.0181 -47.0312 8.47279 TIMING: 2461000 CPU: 7775, 0.00315581/step Wall: 7775, 0.00315581/step, 2.22572 hours remaining, 235.132812 MB of memory in use. ENERGY: 2461000 3949.4064 20558.0571 14444.3798 257.3390 -203788.5309 2798.9830 0.0000 0.0000 52270.8355 -109509.5301 300.4012 -161780.3656 -109148.0884 298.9529 23.0430 47.8307 761306.4948 4.2158 4.2854 PRESSURE: 2461200 -204.76 -60.6457 46.0681 -60.6449 -44.94 -53.3878 46.0688 -53.389 73.2996 GPRESSURE: 2461200 -203.198 -92.9813 92.5372 -33.4187 -16.8527 -87.4543 -3.14493 -76.2453 132.214 PRESSAVG: 2461200 -23.3516 -3.78036 -71.1117 -3.78031 67.7614 -46.5338 -71.1117 -46.5339 -24.1964 GPRESSAVG: 2461200 -24.9988 -3.52549 -70.1555 -4.84118 69.0889 -47.719 -73.9518 -45.6253 -23.7361 TIMING: 2461200 CPU: 7775.63, 0.00315057/step Wall: 7775.63, 0.00315057/step, 2.22185 hours remaining, 235.132812 MB of memory in use. ENERGY: 2461200 4001.8583 20543.3136 14493.6588 239.6337 -202776.5485 2226.3848 0.0000 0.0000 51878.4966 -109393.2028 298.1464 -161271.6994 -109034.7045 299.4190 -58.8000 -29.2788 761057.1683 6.7378 6.7847 PRESSURE: 2461400 23.5454 68.3857 100.439 68.3853 20.5779 119.515 100.439 119.513 255.655 GPRESSURE: 2461400 73.108 214.043 -8.63609 77.6486 80.1098 45.6323 140.725 50.6129 208.991 PRESSAVG: 2461400 -25.021 12.8416 -0.921695 12.8416 36.6427 -63.5441 -0.921655 -63.544 16.7442 GPRESSAVG: 2461400 -24.1564 12.9782 -1.46597 12.5148 37.1525 -60.5091 -0.598591 -65.7451 15.3192 TIMING: 2461400 CPU: 7776.25, 0.00313279/step Wall: 7776.25, 0.00313279/step, 2.20914 hours remaining, 235.132812 MB of memory in use. ENERGY: 2461400 3991.8550 20590.8471 14459.8612 233.4402 -203275.0545 2537.7809 0.0000 0.0000 52014.3505 -109446.9196 298.9272 -161461.2701 -109085.5013 299.1968 99.9262 120.7362 761909.5820 9.4553 9.4384 PRESSURE: 2461600 -155.852 -266.619 32.8502 -266.618 -21.6075 -203.081 32.8497 -203.081 -156.033 GPRESSURE: 2461600 -28.3935 -208.929 69.918 -206.246 -68.7337 -195.582 21.4279 -214.2 -177.091 PRESSAVG: 2461600 -6.87612 -26.5123 -57.2141 -26.5123 -16.552 -54.0222 -57.2141 -54.0221 5.58753 GPRESSAVG: 2461600 -6.43849 -26.3822 -56.7838 -26.4734 -17.408 -56.6546 -55.17 -53.2194 5.81701 TIMING: 2461600 CPU: 7776.88, 0.00314316/step Wall: 7776.88, 0.00314316/step, 2.21628 hours remaining, 235.132812 MB of memory in use. ENERGY: 2461600 3939.8983 20584.4900 14437.5493 227.6632 -202978.3490 2293.6747 0.0000 0.0000 52272.3176 -109222.7560 300.4097 -161495.0736 -108859.9997 299.4385 -111.1641 -91.4060 761631.9401 -5.9469 -6.0098 PRESSURE: 2461800 -206.946 -42.6475 -223.473 -42.6471 -474.624 -52.5017 -223.473 -52.5025 -147.122 GPRESSURE: 2461800 -199.356 21.1349 -134.084 -17.6582 -410.763 -45.5908 -299.045 -79.4588 -146.501 PRESSAVG: 2461800 -23.3151 -14.3638 -26.7703 -14.3637 -43.0559 14.4162 -26.7702 14.4163 -12.2348 GPRESSAVG: 2461800 -24.0534 -13.9412 -25.9477 -14.206 -42.7776 16.361 -28.2729 13.8327 -12.1095 TIMING: 2461800 CPU: 7777.51, 0.0031487/step Wall: 7777.51, 0.0031487/step, 2.22001 hours remaining, 235.132812 MB of memory in use. ENERGY: 2461800 4027.3113 20501.2134 14421.3785 243.2722 -202938.8611 2426.6864 0.0000 0.0000 52082.6677 -109236.3317 299.3198 -161318.9993 -108883.1750 299.7002 -276.2308 -252.2067 762877.2959 -26.2020 -26.3135 PRESSURE: 2462000 -359.653 -138.866 105.882 -138.866 -64.5808 -246.945 105.882 -246.945 164.603 GPRESSURE: 2462000 -309.87 -24.6856 12.0949 -82.7858 -85.2762 -158.696 79.6916 -236.295 242.004 PRESSAVG: 2462000 -3.69701 -49.5064 -56.2661 -49.5064 6.22744 -15.6107 -56.2661 -15.6107 -22.782 GPRESSAVG: 2462000 -2.80464 -49.2635 -56.739 -49.5249 4.18475 -16.9077 -55.6578 -15.3245 -21.8465 TIMING: 2462000 CPU: 7778.14, 0.00314377/step Wall: 7778.14, 0.00314377/step, 2.21636 hours remaining, 235.132812 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: 2462000 3994.5646 20365.8896 14460.6628 244.1128 -202798.1296 2490.1947 0.0000 0.0000 52289.5967 -108953.1085 300.5090 -161242.7052 -108590.5961 300.0315 -86.5434 -51.0471 763148.6391 -6.7505 -6.8221 PRESSURE: 2462200 -14.5008 -37.5921 207.61 -37.5918 204.325 -76.227 207.609 -76.2272 37.7924 GPRESSURE: 2462200 -60.6347 -29.0715 119.929 -104.227 295.139 -117.891 108.656 -72.5209 94.0713 PRESSAVG: 2462200 -12.3989 -38.2562 13.4197 -38.2562 22.3381 22.2651 13.4196 22.2651 15.1002 GPRESSAVG: 2462200 -13.0321 -40.2181 12.8084 -37.2972 24.1825 22.5129 12.886 22.2684 13.9825 TIMING: 2462200 CPU: 7778.77, 0.0031442/step Wall: 7778.77, 0.0031442/step, 2.21649 hours remaining, 235.132812 MB of memory in use. ENERGY: 2462200 3912.2911 20451.1241 14336.0046 250.4604 -203111.0926 2768.7125 0.0000 0.0000 52360.1789 -109032.3211 300.9147 -161392.5000 -108668.6887 300.1979 75.8723 109.5252 763363.4170 8.3465 8.3776 PRESSURE: 2462400 416.922 -14.1916 -160.322 -14.1905 38.7999 -37.3084 -160.322 -37.308 -300.75 GPRESSURE: 2462400 370.821 -81.4041 -184.46 -26.7455 85.1069 -34.3381 -63.1926 -169.399 -232.307 PRESSAVG: 2462400 -12.6226 -28.2156 -37.9426 -28.2156 6.47368 -22.0651 -37.9425 -22.065 25.5104 GPRESSAVG: 2462400 -13.6799 -26.5152 -35.6483 -29.3049 6.03134 -21.0027 -38.4599 -22.281 26.6454 TIMING: 2462400 CPU: 7779.4, 0.00315461/step Wall: 7779.4, 0.00315461/step, 2.22365 hours remaining, 235.132812 MB of memory in use. ENERGY: 2462400 4032.9709 20514.2999 14454.7025 245.8375 -203660.8965 3028.0833 0.0000 0.0000 52270.0775 -109114.9250 300.3969 -161385.0025 -108761.9112 300.0601 51.6572 74.5405 762433.2811 6.4538 6.3323 PRESSURE: 2462600 -10.0918 -46.8172 299.095 -46.8169 245.806 -71.5706 299.095 -71.5692 46.8925 GPRESSURE: 2462600 120.564 -28.4264 345.067 71.0844 134.651 -89.0599 153.028 -140.988 94.4529 PRESSAVG: 2462600 26.1068 -33.8421 -53.1358 -33.8421 -2.64033 1.76116 -53.1359 1.76115 -19.6982 GPRESSAVG: 2462600 27.6253 -33.703 -54.288 -32.965 -2.90639 2.11251 -53.0561 -1.18477 -20.6862 TIMING: 2462600 CPU: 7780.03, 0.00315494/step Wall: 7780.03, 0.00315494/step, 2.22371 hours remaining, 235.132812 MB of memory in use. ENERGY: 2462600 3989.5755 20539.8151 14363.2876 229.5437 -203172.7642 2660.6814 0.0000 0.0000 52274.8726 -109114.9884 300.4244 -161389.8610 -108755.1077 300.0804 94.2023 116.5558 762662.5988 1.2561 1.3442 PRESSURE: 2462800 42.3682 -227.647 -73.3687 -227.646 177.861 -83.4013 -73.3701 -83.4013 -116.355 GPRESSURE: 2462800 78.2378 -129.256 -71.376 -306.342 198.476 -39.8661 -72.5174 8.69892 -68.9771 PRESSAVG: 2462800 -23.8844 -37.2115 -46.2231 -37.2114 -2.10688 30.2796 -46.2231 30.2796 1.39942 GPRESSAVG: 2462800 -23.5551 -37.0128 -46.2312 -38.8415 -3.1161 27.7232 -44.224 34.6918 2.52837 TIMING: 2462800 CPU: 7780.66, 0.00314233/step Wall: 7780.66, 0.00314233/step, 2.21465 hours remaining, 235.132812 MB of memory in use. ENERGY: 2462800 4014.2250 20534.8153 14463.1809 236.4445 -203037.3874 2571.5684 0.0000 0.0000 52330.4318 -108886.7214 300.7437 -161217.1532 -108516.5003 299.7078 34.6249 69.2455 762037.9973 -8.1973 -8.0476 PRESSURE: 2463000 -124.671 106.423 212.164 106.423 -284.541 6.57837 212.163 6.57837 -279.327 GPRESSURE: 2463000 -208.293 60.7032 232.556 138.425 -232.105 -2.16591 101.722 80.1478 -184.14 PRESSAVG: 2463000 -14.9616 -42.7124 -18.9446 -42.7124 23.699 -62.6632 -18.9446 -62.6633 7.21011 GPRESSAVG: 2463000 -15.6321 -43.4874 -20.2114 -43.0358 24.7602 -61.3507 -20.5942 -61.5091 6.45821 TIMING: 2463000 CPU: 7781.29, 0.00313156/step Wall: 7781.29, 0.00313156/step, 2.20688 hours remaining, 235.132812 MB of memory in use. ENERGY: 2463000 4012.1144 20499.7309 14416.9567 247.6760 -203289.1877 2597.8147 0.0000 0.0000 52264.8110 -109250.0840 300.3666 -161514.8950 -108886.6819 300.0925 -229.5132 -208.1796 763505.1186 5.3158 5.1954 PRESSURE: 2463200 -181.351 -5.4285 127.094 -5.42943 185.426 -39.4507 127.095 -39.4507 -452.371 GPRESSURE: 2463200 -71.7461 16.4241 103.02 -56.765 162.662 2.10075 -9.13855 -183.615 -448.994 PRESSAVG: 2463200 19.6622 -39.9865 25.4049 -39.9865 -20.3093 -56.6802 25.4049 -56.6802 10.8338 GPRESSAVG: 2463200 19.4604 -38.7817 26.9255 -37.1044 -20.8 -56.408 26.2252 -59.6319 11.1591 TIMING: 2463200 CPU: 7781.92, 0.00314377/step Wall: 7781.92, 0.00314377/step, 2.21531 hours remaining, 235.132812 MB of memory in use. ENERGY: 2463200 4001.3500 20661.8073 14375.6020 260.3895 -203011.6675 2670.9944 0.0000 0.0000 51649.2751 -109392.2492 296.8291 -161041.5242 -109036.3774 299.3188 -149.4320 -119.3594 764538.3858 3.3956 3.2732 PRESSURE: 2463400 -41.693 2.41377 69.2484 2.41401 -203.256 -135.224 69.248 -135.222 -57.1408 GPRESSURE: 2463400 -25.3341 -96.3679 124.177 162.336 -144.134 -95.1759 27.8158 -61.079 -31.9379 PRESSAVG: 2463400 33.3781 -45.666 -21.8676 -45.666 -21.1007 -52.5942 -21.8676 -52.5943 -17.9763 GPRESSAVG: 2463400 33.8624 -47.9736 -22.2325 -46.4083 -21.6467 -53.333 -21.6307 -53.4828 -17.7103 TIMING: 2463400 CPU: 7782.54, 0.00314271/step Wall: 7782.54, 0.00314271/step, 2.21438 hours remaining, 235.132812 MB of memory in use. ENERGY: 2463400 3980.8041 20437.3068 14424.4399 237.3407 -203098.8937 2469.9668 0.0000 0.0000 52062.3231 -109486.7124 299.2029 -161549.0355 -109119.5609 299.0292 -100.6967 -67.1352 764547.4185 -1.8997 -1.8315 PRESSURE: 2463600 54.7076 -36.4544 66.9812 -36.4538 -107.991 -129.801 66.9816 -129.801 -91.8524 GPRESSURE: 2463600 27.2434 -69.3342 63.4706 -96.0724 -7.75038 -58.9279 76.6944 -56.7282 -94.9832 PRESSAVG: 2463600 30.517 -18.438 25.7983 -18.4379 -29.6007 -50.0291 25.7983 -50.0291 -9.08852 GPRESSAVG: 2463600 29.651 -16.0765 24.6147 -19.5637 -28.1069 -47.6663 24.4963 -50.1675 -9.2917 TIMING: 2463600 CPU: 7783.17, 0.00314536/step Wall: 7783.17, 0.00314536/step, 2.21608 hours remaining, 235.132812 MB of memory in use. ENERGY: 2463600 4008.7754 20493.3985 14468.5918 249.8062 -203343.1644 2876.0964 0.0000 0.0000 51817.9254 -109428.5707 297.7983 -161246.4962 -109071.7421 299.1317 -48.3786 -25.1634 764039.3383 -2.7241 -2.5825 PRESSURE: 2463800 -201.283 89.7531 37.3446 89.7539 -98.2317 -68.9813 37.3445 -68.9809 -433.344 GPRESSURE: 2463800 -192.672 105.384 -1.18999 155.003 -25.0211 -37.4678 116.915 -144.4 -433.294 PRESSAVG: 2463800 21.5601 -4.08641 -6.88873 -4.08641 -3.72865 -39.4526 -6.88872 -39.4526 -0.900242 GPRESSAVG: 2463800 22.6051 -3.04902 -5.85282 -5.77341 -4.64615 -41.2098 -6.27301 -36.7702 -1.0289 TIMING: 2463800 CPU: 7783.81, 0.00315924/step Wall: 7783.81, 0.00315924/step, 2.22568 hours remaining, 235.132812 MB of memory in use. ENERGY: 2463800 3975.4272 20470.7725 14492.2636 251.0547 -203563.3594 2864.1331 0.0000 0.0000 51975.2728 -109534.4356 298.7026 -161509.7084 -109179.4889 299.0210 -244.2863 -216.9956 763685.7012 5.6437 5.6434 PRESSURE: 2464000 -176.963 -31.4804 74.6467 -31.4803 151.82 143.09 74.6462 143.09 98.213 GPRESSURE: 2464000 -185.175 17.3144 98.4964 -17.5433 227.661 52.7782 102.08 109.017 92.4291 PRESSAVG: 2464000 -23.0584 8.54282 26.1134 8.54286 -3.77211 -3.6434 26.1134 -3.64343 -6.99007 GPRESSAVG: 2464000 -23.2527 7.65427 26.0345 10.0149 -2.87903 -3.2001 26.2942 -6.57214 -7.80745 TIMING: 2464000 CPU: 7784.44, 0.00314778/step Wall: 7784.44, 0.00314778/step, 2.21743 hours remaining, 235.132812 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: 2464000 3864.5771 20637.5558 14451.2823 235.1582 -203517.6401 2546.7466 0.0000 0.0000 52234.7987 -109547.5213 300.1941 -161782.3200 -109180.9669 299.1449 24.3567 44.9720 762861.2187 -11.2735 -11.3131 PRESSURE: 2464200 -229.485 -48.4761 21.0873 -48.4758 79.5917 -125.074 21.0874 -125.074 -226.504 GPRESSURE: 2464200 -12.9369 -4.11245 -31.0981 58.3637 5.26876 -95.3015 100.445 -11.3035 -269.673 PRESSAVG: 2464200 -18.6092 -38.2286 -21.9989 -38.2286 -14.9873 -27.4668 -21.9988 -27.4668 -6.62548 GPRESSAVG: 2464200 -19.5854 -40.8249 -23.4452 -37.0983 -15.1009 -27.612 -21.1009 -27.3289 -5.89516 TIMING: 2464200 CPU: 7785.07, 0.00316957/step Wall: 7785.07, 0.00316957/step, 2.23261 hours remaining, 235.132812 MB of memory in use. ENERGY: 2464200 3935.2513 20470.0221 14474.3828 250.0808 -203366.5822 2680.3257 0.0000 0.0000 52055.2237 -109501.2957 299.1621 -161556.5194 -109139.9914 298.4084 -125.4657 -92.4469 761778.8926 -13.4073 -13.5271 LDB: ============= START OF LOAD BALANCING ============== 7797.6 LDB: ============== END OF LOAD BALANCING =============== 7797.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7797.6 LDB: ============= START OF LOAD BALANCING ============== 7797.92 LDB: Largest compute 7056 load 0.032546 is 16.6% of average load 0.195603 LDB: Average compute 0.004381 is 2.2% of average load 0.195603 LDB: TIME 7797.92 LOAD: AVG 0.195603 MAX 0.213413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.023 MB LDB: TIME 7797.92 LOAD: AVG 0.195603 MAX 0.213413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.117 MB LDB: TIME 7797.92 LOAD: AVG 0.195603 MAX 0.213413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.117 MB LDB: ============== END OF LOAD BALANCING =============== 7797.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7797.93 PRESSURE: 2464400 -198.469 -212.424 -5.71719 -212.423 -259.022 45.5539 -5.71741 45.5533 260.399 GPRESSURE: 2464400 -152.187 -69.4088 -33.7935 -192.928 -219.662 112.168 -107.998 72.147 245.563 PRESSAVG: 2464400 8.87364 -5.43246 -3.91935 -5.43245 -14.1637 -41.1033 -3.91936 -41.1033 -13.2892 GPRESSAVG: 2464400 8.87846 -3.30536 -3.32131 -7.23702 -14.674 -40.4543 -3.92176 -41.8304 -12.8134 TIMING: 2464400 CPU: 7785.71, 0.00321467/step Wall: 7785.71, 0.00321467/step, 2.2642 hours remaining, 234.375000 MB of memory in use. ENERGY: 2464400 4065.4166 20609.0863 14452.2957 248.3037 -203164.1721 2491.3092 0.0000 0.0000 52007.1181 -109290.6425 298.8856 -161297.7607 -108928.5177 299.4219 -65.6973 -42.0952 763050.9489 -6.1931 -6.2030 PRESSURE: 2464600 340.828 179.252 53.1818 179.251 100.751 -45.4021 53.1824 -45.4011 -45.959 GPRESSURE: 2464600 303.666 212.351 125.21 29.8149 113.683 23.9806 -6.52891 6.63901 48.9059 PRESSAVG: 2464600 33.3098 -42.6144 -9.35681 -42.6144 -37.5907 6.80295 -9.35676 6.80291 6.34889 GPRESSAVG: 2464600 31.5907 -43.1616 -9.27788 -42.2368 -36.6061 6.63147 -11.9769 9.02294 6.70849 TIMING: 2464600 CPU: 7786.34, 0.00315198/step Wall: 7786.34, 0.00315198/step, 2.21987 hours remaining, 234.578125 MB of memory in use. ENERGY: 2464600 3987.5460 20564.4739 14449.1772 255.6695 -203181.4639 2594.0729 0.0000 0.0000 51842.8783 -109487.6462 297.9417 -161330.5245 -109113.7866 299.3142 131.8736 155.4182 761153.7905 0.6893 0.5644 PRESSURE: 2464800 -220.868 114.234 89.0235 114.234 201.988 256.942 89.0242 256.942 -795.615 GPRESSURE: 2464800 -147.181 81.2964 110.886 57.5615 206.62 221.518 90.908 148.907 -783.032 PRESSAVG: 2464800 38.6851 29.5422 9.194 29.5422 8.95169 -23.7955 9.19408 -23.7956 -6.56417 GPRESSAVG: 2464800 39.6493 30.3575 10.5151 28.4753 7.63262 -25.7181 9.28663 -24.1435 -6.34371 TIMING: 2464800 CPU: 7786.97, 0.00314703/step Wall: 7786.97, 0.00314703/step, 2.21621 hours remaining, 234.578125 MB of memory in use. ENERGY: 2464800 4020.0713 20660.6132 14460.8187 247.5687 -203350.8129 2715.4655 0.0000 0.0000 51986.5986 -109259.6770 298.7677 -161246.2755 -108901.7618 299.3989 -271.4985 -241.1974 762216.7641 13.6909 13.6461 PRESSURE: 2465000 187.049 -74.8147 -95.7588 -74.8146 52.9433 -135.599 -95.7584 -135.599 -71.2834 GPRESSURE: 2465000 249.709 8.95096 -88.3882 -122.751 56.0994 -119.111 -127.479 -31.0407 -57.7165 PRESSAVG: 2465000 -21.8249 -50.9146 -0.630001 -50.9146 12.1621 -9.9051 -0.629934 -9.90504 17.1205 GPRESSAVG: 2465000 -21.1523 -52.1973 -2.54167 -49.911 13.6789 -8.72747 0.728652 -12.4183 15.7009 TIMING: 2465000 CPU: 7787.6, 0.00314498/step Wall: 7787.6, 0.00314498/step, 2.21459 hours remaining, 234.578125 MB of memory in use. ENERGY: 2465000 4032.4171 20440.3268 14413.2421 250.0404 -203109.6229 2775.3840 0.0000 0.0000 52066.4576 -109131.7548 299.2266 -161198.2124 -108764.4599 299.6911 56.2362 82.6972 763242.2961 2.4859 2.7425 PRESSURE: 2465200 245.239 -108.324 46.3261 -108.323 304.562 -68.1958 46.3251 -68.1962 -87.3542 GPRESSURE: 2465200 335.669 -126.145 -52.2413 -187.067 298.801 -20.4829 106.145 16.7158 -98.5983 PRESSAVG: 2465200 33.0066 -60.4796 10.7821 -60.4796 -59.7868 -20.0006 10.7821 -20.0005 -22.0718 GPRESSAVG: 2465200 33.2792 -59.2961 11.0596 -61.5625 -61.5224 -18.4456 9.75493 -18.2093 -20.6499 TIMING: 2465200 CPU: 7788.23, 0.00314529/step Wall: 7788.23, 0.00314529/step, 2.21463 hours remaining, 234.578125 MB of memory in use. ENERGY: 2465200 4018.9245 20537.3517 14384.7756 246.8493 -203489.0927 2860.1492 0.0000 0.0000 52106.1920 -109334.8504 299.4550 -161441.0424 -108970.9386 299.2000 154.1490 178.6239 762334.6629 -16.2840 -16.2977 PRESSURE: 2465400 336.103 60.7631 195.583 60.7633 196.065 31.998 195.583 31.9987 118.453 GPRESSURE: 2465400 318.011 128.189 243.283 76.8872 261.922 14.3981 83.2032 122.046 169.341 PRESSAVG: 2465400 27.9978 -40.9697 -15.4882 -40.9698 -4.12247 -13.2841 -15.4881 -13.2841 -9.48592 GPRESSAVG: 2465400 27.036 -40.8202 -15.8869 -39.1218 -3.11049 -14.5463 -15.7806 -13.9606 -9.21776 TIMING: 2465400 CPU: 7788.86, 0.00313853/step Wall: 7788.86, 0.00313853/step, 2.2097 hours remaining, 234.578125 MB of memory in use. ENERGY: 2465400 3975.9858 20533.1101 14391.5447 233.5236 -203402.4698 2919.8163 0.0000 0.0000 51828.5347 -109519.9546 297.8593 -161348.4893 -109150.1073 299.2278 216.8738 249.7576 761517.1272 4.7965 4.9026 PRESSURE: 2465600 392.376 0.0818363 -194.317 0.0816833 199.432 61.0026 -194.316 61.0024 34.6499 GPRESSURE: 2465600 410.418 -15.9725 -230.072 54.0636 234.129 75.262 -295.202 50.0947 58.5196 PRESSAVG: 2465600 -1.68828 -64.1334 -44.2595 -64.1334 7.26903 43.2279 -44.2594 43.2279 -20.0449 GPRESSAVG: 2465600 -2.40769 -63.9264 -43.2706 -64.9286 8.13396 43.2375 -43.3728 42.9831 -20.4777 TIMING: 2465600 CPU: 7789.48, 0.00313171/step Wall: 7789.48, 0.00313171/step, 2.20472 hours remaining, 234.578125 MB of memory in use. ENERGY: 2465600 3981.6952 20514.3277 14435.9947 235.9429 -203943.7564 3131.5739 0.0000 0.0000 52325.4645 -109318.7576 300.7152 -161644.2221 -108949.6905 298.9771 208.8193 234.3555 761105.4464 -4.8214 -4.9172 PRESSURE: 2465800 -146.046 -254.039 -76.2183 -254.038 -382.741 -12.524 -76.2186 -12.5247 205.318 GPRESSURE: 2465800 -250.812 -298.371 9.06524 -227.02 -287.894 0.500352 -115.84 13.548 290.594 PRESSAVG: 2465800 27.4234 -23.5918 -0.0955986 -23.5918 4.60724 60.9888 -0.0955593 60.9889 21.9983 GPRESSAVG: 2465800 27.4791 -22.8833 0.64289 -24.078 4.03399 59.7046 -0.580156 61.85 22.3715 TIMING: 2465800 CPU: 7790.11, 0.00313786/step Wall: 7790.11, 0.00313786/step, 2.20888 hours remaining, 234.578125 MB of memory in use. ENERGY: 2465800 3998.4620 20527.7665 14466.4230 232.2698 -203190.1917 2490.5029 0.0000 0.0000 52081.5710 -109393.1965 299.3135 -161474.7675 -109037.8816 299.5665 -107.8230 -82.7040 761638.3547 18.0097 17.9615 PRESSURE: 2466000 -425.718 68.2829 -102.099 68.2828 -262.087 -62.962 -102.099 -62.9614 -455.117 GPRESSURE: 2466000 -396.938 39.8034 -20.938 37.1369 -288.619 5.13936 -91.7078 -229.737 -371.765 PRESSAVG: 2466000 -32.0896 10.5393 26.6639 10.5393 22.3367 -23.4769 26.6639 -23.4769 7.10435 GPRESSAVG: 2466000 -31.526 11.4023 25.1247 10.398 21.9623 -22.4332 27.6667 -23.8807 6.86058 TIMING: 2466000 CPU: 7790.74, 0.00315787/step Wall: 7790.74, 0.00315787/step, 2.22279 hours remaining, 234.578125 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: 2466000 3991.7445 20623.9210 14418.6796 228.3321 -203126.9967 2508.4767 0.0000 0.0000 51764.8030 -109591.0397 297.4930 -161355.8427 -109233.3442 298.9180 -380.9738 -352.4408 762952.5259 -0.8828 -0.9011 PRESSURE: 2466200 -78.2459 -54.3747 294.049 -54.3748 -105.873 -35.9218 294.05 -35.9208 -235.364 GPRESSURE: 2466200 16.968 -5.56706 178.68 -88.0275 -67.0737 -42.8165 207.072 102.792 -267.87 PRESSAVG: 2466200 -17.6129 15.3921 -20.2792 15.3921 -35.7412 -41.1 -20.2792 -41.0999 -29.4742 GPRESSAVG: 2466200 -17.6465 13.6594 -19.8931 15.501 -36.1597 -40.757 -19.6907 -40.7601 -28.6902 TIMING: 2466200 CPU: 7791.38, 0.00317173/step Wall: 7791.38, 0.00317173/step, 2.23237 hours remaining, 234.578125 MB of memory in use. ENERGY: 2466200 3996.5775 20617.3534 14478.8234 282.1754 -202998.3830 2362.6249 0.0000 0.0000 51895.5499 -109365.2785 298.2444 -161260.8285 -108998.6288 298.7425 -139.8275 -105.9920 762380.8371 -27.6094 -27.4988 PRESSURE: 2466400 270.166 -46.1317 -83.5827 -46.1316 -33.4428 -23.5355 -83.5816 -23.5369 -43.0893 GPRESSURE: 2466400 256.398 -136.767 -83.1252 -68.8732 82.6602 -12.477 -110.197 66.5619 -75.4191 PRESSAVG: 2466400 6.62616 -15.9483 -36.184 -15.9483 -12.9531 -6.48041 -36.1841 -6.48042 36.1449 GPRESSAVG: 2466400 7.33312 -17.558 -37.0072 -14.4457 -12.8198 -7.64414 -37.8307 -5.44428 35.0961 TIMING: 2466400 CPU: 7792.01, 0.00314149/step Wall: 7792.01, 0.00314149/step, 2.21091 hours remaining, 234.578125 MB of memory in use. ENERGY: 2466400 3967.8687 20531.1600 14554.6518 242.8937 -203544.2915 2700.9004 0.0000 0.0000 51883.5056 -109663.3113 298.1752 -161546.8169 -109305.4450 298.9557 64.5446 87.8797 761980.2239 9.9393 9.8698 PRESSURE: 2466600 44.6686 -173.703 207.711 -173.704 -134.53 -76.7079 207.711 -76.7075 -563.779 GPRESSURE: 2466600 25.3105 -139.366 308.469 -208.238 -89.7147 -103.738 137.546 -70.9794 -518.353 PRESSAVG: 2466600 -34.5111 -37.9564 -45.728 -37.9564 18.2682 -74.3357 -45.7281 -74.3356 -21.3696 GPRESSAVG: 2466600 -34.9548 -35.2778 -46.4465 -40.4427 18.4609 -74.4266 -43.7104 -75.9408 -20.8574 TIMING: 2466600 CPU: 7792.63, 0.0031462/step Wall: 7792.63, 0.0031462/step, 2.21405 hours remaining, 234.578125 MB of memory in use. ENERGY: 2466600 4039.3661 20604.1300 14435.6607 267.4609 -203613.3771 2741.7510 0.0000 0.0000 51966.6026 -109558.4057 298.6528 -161525.0083 -109198.1862 298.7759 -217.8802 -194.2523 763909.0867 -12.5375 -12.4504 PRESSURE: 2466800 -6.69092 25.3183 84.2181 25.3181 178.492 -52.3906 84.218 -52.3904 -73.2045 GPRESSURE: 2466800 77.109 58.0672 10.1838 25.4609 102.726 -128.552 214.897 -70.6711 -7.62029 PRESSAVG: 2466800 6.90053 -43.9158 -7.21119 -43.9158 -9.31178 -57.5037 -7.21122 -57.5036 -3.03114 GPRESSAVG: 2466800 7.89217 -43.654 -5.74717 -44.7764 -10.3159 -56.5977 -7.97454 -57.9173 -3.01186 TIMING: 2466800 CPU: 7793.27, 0.00315599/step Wall: 7793.27, 0.00315599/step, 2.22077 hours remaining, 234.578125 MB of memory in use. ENERGY: 2466800 3970.2120 20724.9866 14522.2710 249.3811 -204046.1719 3135.6964 0.0000 0.0000 51764.2318 -109679.3929 297.4898 -161443.6247 -109318.9719 298.7795 32.8656 57.4049 762455.7211 -1.8141 -1.8119 PRESSURE: 2467000 -525.564 -163.258 95.3572 -163.259 -294.507 -101.559 95.3578 -101.56 -362.421 GPRESSURE: 2467000 -552.239 -323.2 129.332 58.4434 -197.831 -43.4056 13.4759 40.0747 -351.146 PRESSAVG: 2467000 -33.3004 -57.4248 13.997 -57.4249 35.7093 -11.9655 13.997 -11.9655 9.03839 GPRESSAVG: 2467000 -32.8442 -58.4566 13.5621 -55.4538 35.4298 -11.3613 12.4239 -12.2953 9.15819 TIMING: 2467000 CPU: 7793.9, 0.00316672/step Wall: 7793.9, 0.00316672/step, 2.22814 hours remaining, 234.578125 MB of memory in use. ENERGY: 2467000 4034.0052 20635.6095 14465.1248 258.2903 -203452.6238 2542.6908 0.0000 0.0000 51929.9146 -109586.9886 298.4419 -161516.9032 -109227.1089 298.4317 -394.1640 -367.0722 763908.1917 3.8158 3.9146 PRESSURE: 2467200 -179.655 -84.8051 -78.7138 -84.805 159.063 127.75 -78.7135 127.749 62.599 GPRESSURE: 2467200 -21.5712 -100.528 -29.8631 7.08519 103.503 113.985 -97.7577 37.9542 29.6268 PRESSAVG: 2467200 -8.8742 -42.7323 1.0657 -42.7323 17.3099 27.2292 1.06569 27.2292 -1.36976 GPRESSAVG: 2467200 -10.3478 -44.4389 1.83213 -42.9973 18.1219 27.3263 1.50971 27.3556 -0.0348406 TIMING: 2467200 CPU: 7794.53, 0.00315834/step Wall: 7794.53, 0.00315834/step, 2.22207 hours remaining, 234.578125 MB of memory in use. ENERGY: 2467200 4027.7393 20497.5010 14419.0017 260.4320 -203556.6058 2857.1683 0.0000 0.0000 51873.0712 -109621.6923 298.1153 -161494.7635 -109261.8527 298.3211 14.0026 37.1862 762936.8541 2.3553 2.5797 PRESSURE: 2467400 -381.697 -118.149 53.625 -118.149 -405.651 74.6762 53.6243 74.6749 535.198 GPRESSURE: 2467400 -381.551 8.20565 -6.43951 21.9977 -376.211 58.4247 -25.7608 137.698 566.584 PRESSAVG: 2467400 -18.5203 -65.317 -16.6062 -65.3169 28.4362 -0.738723 -16.6062 -0.738812 -4.91783 GPRESSAVG: 2467400 -17.6563 -63.2224 -18.7315 -65.5195 27.7252 -2.60075 -16.1792 1.18667 -5.09673 TIMING: 2467400 CPU: 7795.16, 0.00314747/step Wall: 7795.16, 0.00314747/step, 2.21425 hours remaining, 234.578125 MB of memory in use. ENERGY: 2467400 3937.8338 20637.1253 14411.9095 248.8680 -203354.1433 2711.3616 0.0000 0.0000 52078.3361 -109328.7090 299.2949 -161407.0451 -108969.1119 298.5828 -84.0501 -63.7260 763690.0213 1.6660 1.6574 PRESSURE: 2467600 -306.301 61.4966 -56.7561 61.4966 -343.732 45.1876 -56.7561 45.1877 -259.542 GPRESSURE: 2467600 -279.272 -56.7849 56.6559 37.7056 -329.869 48.5753 -87.3556 195.433 -209.338 PRESSAVG: 2467600 -57.1625 22.3931 -17.9921 22.3931 57.5396 22.1729 -17.9921 22.1729 3.70665 GPRESSAVG: 2467600 -57.6579 21.0465 -15.7074 22.8844 57.7264 23.8235 -18.172 20.0947 4.0276 TIMING: 2467600 CPU: 7795.79, 0.00313493/step Wall: 7795.79, 0.00313493/step, 2.20525 hours remaining, 234.578125 MB of memory in use. ENERGY: 2467600 3973.3298 20649.7588 14302.0156 252.8724 -202784.2107 2165.1266 0.0000 0.0000 51915.5164 -109525.5910 298.3592 -161441.1074 -109162.1744 298.7253 -303.1914 -272.8263 764934.6154 1.3612 1.3654 PRESSURE: 2467800 277.358 219.261 90.1655 219.26 94.524 -80.3469 90.1646 -80.3482 -175.29 GPRESSURE: 2467800 234.467 108.371 73.2135 235.237 271.796 -167.653 117.614 10.4408 -199.922 PRESSAVG: 2467800 -0.47269 -38.6222 65.7591 -38.6221 23.3592 -19.6262 65.7591 -19.6261 15.1645 GPRESSAVG: 2467800 -0.921621 -39.3252 63.2185 -39.1251 24.854 -19.3397 65.1641 -19.3348 14.1012 TIMING: 2467800 CPU: 7796.42, 0.00314058/step Wall: 7796.42, 0.00314058/step, 2.20905 hours remaining, 234.578125 MB of memory in use. ENERGY: 2467800 3987.3520 20616.1937 14432.7433 237.0459 -203437.6525 2740.5475 0.0000 0.0000 51978.0741 -109445.6961 298.7187 -161423.7701 -109081.9866 298.8783 65.5308 102.1136 762033.8018 12.6837 12.6778 PRESSURE: 2468000 -67.6651 11.4329 182.761 11.4333 186.057 213.808 182.762 213.809 -656.288 GPRESSURE: 2468000 -31.1321 -49.7992 226.911 -24.8666 195.534 264.467 185.549 261.612 -624.906 PRESSAVG: 2468000 37.0416 -72.9368 54.8038 -72.9368 11.117 17.7967 54.8038 17.7967 9.48553 GPRESSAVG: 2468000 38.2738 -73.7124 57.4761 -71.6818 9.92663 15.6635 55.372 18.442 9.18135 TIMING: 2468000 CPU: 7797.05, 0.00315849/step Wall: 7797.05, 0.00315849/step, 2.22147 hours remaining, 234.578125 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: 2468000 4068.5238 20438.8075 14483.4597 258.3450 -203291.9470 2490.4657 0.0000 0.0000 52038.7094 -109513.6359 299.0672 -161552.3453 -109141.2099 299.5496 -179.2989 -153.5014 760992.4897 19.2147 19.1273 PRESSURE: 2468200 234.794 14.8704 -145.464 14.87 453.045 -94.8571 -145.464 -94.8569 567.945 GPRESSURE: 2468200 257.59 -25.9674 -143.898 47.9881 521.337 -5.26584 -78.7817 -112.144 559.682 PRESSAVG: 2468200 -22.4916 -56.5857 49.883 -56.5857 2.0022 -76.6961 49.883 -76.6961 -8.31112 GPRESSAVG: 2468200 -23.5966 -57.4923 49.9604 -57.6706 1.79619 -76.2361 49.8157 -77.0862 -7.18838 TIMING: 2468200 CPU: 7797.68, 0.00315621/step Wall: 7797.68, 0.00315621/step, 2.21969 hours remaining, 234.578125 MB of memory in use. ENERGY: 2468200 3912.2613 20405.7015 14458.6307 257.4860 -203880.0469 3059.5732 0.0000 0.0000 52154.9097 -109631.4846 299.7350 -161786.3942 -109265.0910 299.1292 418.5946 446.2030 760381.6611 -9.6002 -9.6629 LDB: ============= START OF LOAD BALANCING ============== 7810.21 LDB: ============== END OF LOAD BALANCING =============== 7810.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7810.21 LDB: ============= START OF LOAD BALANCING ============== 7810.53 LDB: Largest compute 7056 load 0.032062 is 16.4% of average load 0.195620 LDB: Average compute 0.004390 is 2.2% of average load 0.195620 LDB: TIME 7810.53 LOAD: AVG 0.19562 MAX 0.216416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.395 MB LDB: TIME 7810.53 LOAD: AVG 0.19562 MAX 0.216416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: TIME 7810.53 LOAD: AVG 0.19562 MAX 0.216416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: ============== END OF LOAD BALANCING =============== 7810.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7810.54 PRESSURE: 2468400 -331.174 1.24816 92.2495 1.24772 327.548 -256.655 92.2495 -256.657 270.066 GPRESSURE: 2468400 -237.283 7.16759 83.1238 -101.419 280.768 -298.866 45.7753 -186.027 324.667 PRESSAVG: 2468400 -33.0238 -38.1554 -21.4195 -38.1554 42.4968 -56.9337 -21.4196 -56.9337 -21.3047 GPRESSAVG: 2468400 -33.0178 -35.7432 -23.4656 -39.8557 43.4649 -56.8997 -18.9898 -55.1495 -21.6121 TIMING: 2468400 CPU: 7798.32, 0.00322219/step Wall: 7798.32, 0.00322219/step, 2.26592 hours remaining, 236.414062 MB of memory in use. ENERGY: 2468400 4043.0551 20569.7228 14386.5609 264.1802 -203691.2205 2666.6774 0.0000 0.0000 52091.0406 -109669.9835 299.3679 -161761.0240 -109311.3360 298.7205 88.8135 122.7171 762089.8998 -3.9439 -3.7217 PRESSURE: 2468600 245.431 80.4073 21.6335 80.4078 -129.839 -172.728 21.6329 -172.728 -327.967 GPRESSURE: 2468600 144.031 139.798 -54.6464 155.711 51.4545 -152.411 87.2008 -182.826 -323.705 PRESSAVG: 2468600 -54.0891 -10.558 39.9422 -10.558 62.6848 -47.7359 39.9422 -47.7359 -11.5476 GPRESSAVG: 2468600 -54.1995 -11.8677 40.323 -9.01932 62.2618 -47.1307 38.813 -50.6258 -10.9947 TIMING: 2468600 CPU: 7798.95, 0.00315453/step Wall: 7798.95, 0.00315453/step, 2.21816 hours remaining, 236.687500 MB of memory in use. ENERGY: 2468600 3934.1098 20418.6156 14432.8668 238.5004 -203563.0063 2828.3365 0.0000 0.0000 52125.4184 -109585.1588 299.5655 -161710.5772 -109212.1267 299.3685 -70.7917 -42.7398 761460.6951 -0.9839 -0.9775 PRESSURE: 2468800 -318.691 -177.878 19.3586 -177.878 272.158 376.591 19.3585 376.59 76.7618 GPRESSURE: 2468800 -205.237 -126.886 107.957 -165.064 226.94 414.392 -6.35136 317.148 98.033 PRESSAVG: 2468800 -25.2429 -103.107 19.6376 -103.107 33.2311 -17.7594 19.6376 -17.7595 -2.15795 GPRESSAVG: 2468800 -24.9284 -100.683 20.3897 -103.233 34.2251 -18.2552 17.9981 -16.2787 -3.4206 TIMING: 2468800 CPU: 7799.58, 0.00314493/step Wall: 7799.58, 0.00314493/step, 2.21124 hours remaining, 236.687500 MB of memory in use. ENERGY: 2468800 4005.0760 20612.3496 14451.9924 270.8960 -203516.1579 2570.5172 0.0000 0.0000 52151.4304 -109453.8963 299.7150 -161605.3267 -109097.9759 299.3425 10.0761 39.9120 761820.6314 1.9434 1.9587 PRESSURE: 2469000 -265.416 14.5035 88.1985 14.503 -42.5038 -25.0942 88.1985 -25.0938 102.021 GPRESSURE: 2469000 -221.998 -21.6961 130.16 8.10968 -26.9105 -89.845 2.07121 -6.18215 135.351 PRESSAVG: 2469000 -30.2044 -95.1307 45.446 -95.1307 14.3057 24.2004 45.446 24.2004 -24.4614 GPRESSAVG: 2469000 -29.2223 -98.1143 44.5209 -95.1425 11.4399 24.169 47.793 24.0559 -22.4271 TIMING: 2469000 CPU: 7800.22, 0.00316231/step Wall: 7800.22, 0.00316231/step, 2.22328 hours remaining, 236.687500 MB of memory in use. ENERGY: 2469000 4081.9480 20485.8808 14393.2626 240.3865 -203640.1125 2775.4333 0.0000 0.0000 52117.2394 -109545.9621 299.5185 -161663.2014 -109180.6429 299.0944 -68.6329 -37.8524 762348.1513 -13.4534 -13.4032 PRESSURE: 2469200 -180.589 45.0383 -70.2449 45.0391 -316.729 -24.8484 -70.2456 -24.849 -68.3091 GPRESSURE: 2469200 -192.582 101.908 58.7564 94.6691 -211.576 -94.0628 -135.676 56.7224 -81.4666 PRESSAVG: 2469200 -11.871 -5.59613 -25.6572 -5.59608 -16.0355 10.2281 -25.6573 10.2281 30.3561 GPRESSAVG: 2469200 -12.2663 -4.73645 -24.3619 -6.22024 -14.9473 10.2617 -26.3952 9.74209 29.5912 TIMING: 2469200 CPU: 7800.85, 0.00316394/step Wall: 7800.85, 0.00316394/step, 2.22425 hours remaining, 236.687500 MB of memory in use. ENERGY: 2469200 4008.9150 20582.8285 14459.2507 241.0385 -203486.7129 2755.0312 0.0000 0.0000 51877.1928 -109562.4562 298.1389 -161439.6490 -109204.9938 299.2508 -188.5423 -161.8751 763534.9674 0.8165 0.7925 PRESSURE: 2469400 36.8878 -137.54 -49.8569 -137.539 -114.715 138.545 -49.8562 138.546 -59.2607 GPRESSURE: 2469400 20.031 2.2928 -20.3162 -73.8976 -103.473 105.413 -156.688 109.815 8.61421 PRESSAVG: 2469400 23.286 -29.2677 -23.4047 -29.2677 -37.0325 27.2744 -23.4047 27.2744 -5.71424 GPRESSAVG: 2469400 23.0804 -29.2964 -23.6021 -29.0185 -36.2623 27.2772 -25.5526 30.1792 -5.90557 TIMING: 2469400 CPU: 7801.48, 0.00314661/step Wall: 7801.48, 0.00314661/step, 2.21189 hours remaining, 236.687500 MB of memory in use. ENERGY: 2469400 4012.4979 20593.3699 14405.6062 262.7396 -203447.3356 2810.7509 0.0000 0.0000 51745.3513 -109617.0198 297.3812 -161362.3711 -109259.2857 298.8131 -45.6959 -24.9428 761806.2610 -6.4869 -6.3625 PRESSURE: 2469600 300.042 165.077 156.829 165.078 277.227 -14.2526 156.829 -14.2516 -182.721 GPRESSURE: 2469600 311.82 28.9599 298.681 189.821 304.929 22.8342 57.2404 20.7547 -150.852 PRESSAVG: 2469600 42.1072 -62.5281 8.61308 -62.5281 -1.23709 32.5491 8.61304 32.5492 16.6761 GPRESSAVG: 2469600 42.4529 -62.4914 9.72982 -61.521 -1.39317 31.9162 9.56555 30.629 16.8704 TIMING: 2469600 CPU: 7802.11, 0.00317195/step Wall: 7802.11, 0.00317195/step, 2.22953 hours remaining, 236.687500 MB of memory in use. ENERGY: 2469600 3912.7322 20563.5403 14489.4848 251.9124 -203613.6847 2856.1613 0.0000 0.0000 51907.1461 -109632.7075 298.3111 -161539.8536 -109268.9650 298.6924 131.5156 155.2989 761728.2326 19.1821 19.3100 PRESSURE: 2469800 115.747 83.7278 -335.205 83.728 -390.853 -61.1786 -335.206 -61.1787 24.1375 GPRESSURE: 2469800 4.7875 49.3606 -383.61 12.4563 -238.066 -55.2914 -234.69 -42.6108 60.1835 PRESSAVG: 2469800 14.5255 -18.1181 -9.77446 -18.118 -20.9933 26.6795 -9.77449 26.6796 -4.43446 GPRESSAVG: 2469800 13.5953 -18.6816 -12.0288 -18.1834 -21.3108 26.9964 -6.55165 26.7376 -3.44852 TIMING: 2469800 CPU: 7802.74, 0.00314709/step Wall: 7802.74, 0.00314709/step, 2.21188 hours remaining, 236.687500 MB of memory in use. ENERGY: 2469800 4077.4680 20753.2920 14501.2394 229.2430 -203739.4649 2900.5571 0.0000 0.0000 52134.3488 -109143.3167 299.6168 -161277.6655 -108790.8440 299.2785 -83.6561 -57.6984 761810.7453 -3.6341 -3.7213 PRESSURE: 2470000 71.8754 -61.5907 -26.8969 -61.5899 145.444 235.033 -26.8961 235.033 284.908 GPRESSURE: 2470000 77.2472 -41.9473 36.0025 -138.43 212.645 160.874 -41.3266 189.089 313.422 PRESSAVG: 2470000 76.0642 -23.1961 10.4546 -23.1961 -7.68478 22.1214 10.4545 22.1215 10.9771 GPRESSAVG: 2470000 77.285 -21.8466 12.6971 -23.7837 -8.33303 21.1453 8.69772 21.3089 10.4691 TIMING: 2470000 CPU: 7803.37, 0.00315672/step Wall: 7803.37, 0.00315672/step, 2.21847 hours remaining, 236.687500 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: 2470000 4051.8968 20627.1418 14425.9473 239.1141 -203484.6865 2896.9748 0.0000 0.0000 52204.0828 -109039.5289 300.0176 -161243.6117 -108677.3854 300.6427 167.4095 201.1048 761501.1690 26.4522 26.4737 PRESSURE: 2470200 -415.628 -52.0636 289.017 -52.0635 -85.1505 -44.7346 289.018 -44.7362 96.8311 GPRESSURE: 2470200 -339.677 -88.1699 249.401 -72.4945 -9.25317 46.7311 168.124 -89.9476 43.4447 PRESSAVG: 2470200 19.2655 -32.7684 37.4146 -32.7684 -26.671 -8.99002 37.4147 -8.98995 20.9062 GPRESSAVG: 2470200 18.584 -33.8403 35.5063 -32.157 -24.2729 -10.2971 36.4677 -8.49633 19.079 TIMING: 2470200 CPU: 7804, 0.00314273/step Wall: 7804, 0.00314273/step, 2.20847 hours remaining, 236.687500 MB of memory in use. ENERGY: 2470200 4006.5843 20668.6117 14369.8936 244.0330 -203411.6220 2700.5832 0.0000 0.0000 52226.9362 -109194.9801 300.1489 -161421.9163 -108817.9004 300.1067 -134.6490 -101.8286 762803.4809 4.5003 4.4634 PRESSURE: 2470400 -202.163 51.6292 -21.9018 51.6295 -137.95 61.9094 -21.902 61.9093 -60.8258 GPRESSURE: 2470400 -219.017 91.8441 -12.2584 -107.933 -99.1231 84.4184 -18.4044 79.014 -16.3412 PRESSAVG: 2470400 15.9585 -2.18588 33.0789 -2.18594 7.63731 45.025 33.0789 45.0249 -13.5265 GPRESSAVG: 2470400 15.2333 -0.740038 33.673 -3.14045 6.49642 47.1967 32.2768 44.0529 -12.0472 TIMING: 2470400 CPU: 7804.63, 0.00315755/step Wall: 7804.63, 0.00315755/step, 2.21871 hours remaining, 236.687500 MB of memory in use. ENERGY: 2470400 4070.0324 20587.0314 14427.7878 246.1398 -203755.5367 2912.3875 0.0000 0.0000 52245.9795 -109266.1783 300.2584 -161512.1578 -108910.9022 300.3428 -133.6464 -111.4939 762065.9437 3.3564 3.2275 PRESSURE: 2470600 71.1796 58.7922 75.7519 58.793 -29.9113 -117.053 75.7513 -117.053 -77.8178 GPRESSURE: 2470600 121.55 43.8588 160.396 76.2652 25.9605 -97.0971 218.531 -100.42 -118.49 PRESSAVG: 2470600 -9.26336 -25.4973 5.5898 -25.4973 -24.4424 35.5549 5.5898 35.5549 -2.45192 GPRESSAVG: 2470600 -8.88299 -26.992 4.64174 -25.1726 -23.2498 36.2294 7.78098 34.7601 -4.50792 TIMING: 2470600 CPU: 7805.26, 0.00314866/step Wall: 7805.26, 0.00314866/step, 2.21229 hours remaining, 236.687500 MB of memory in use. ENERGY: 2470600 4049.3532 20626.9576 14450.7659 243.7017 -203783.8858 2688.4677 0.0000 0.0000 52373.6807 -109350.9590 300.9923 -161724.6397 -108982.1741 299.5567 -12.1832 9.6734 760934.7719 -12.0526 -12.2136 PRESSURE: 2470800 -59.5693 -98.0447 132.61 -98.0453 -152.977 143.947 132.61 143.946 -287.008 GPRESSURE: 2470800 -83.0223 -68.7495 48.7656 -147.205 -138.562 202.706 84.4195 51.638 -193.538 PRESSAVG: 2470800 -23.575 -25.2439 10.1656 -25.2439 4.19246 18.1665 10.1655 18.1665 0.642768 GPRESSAVG: 2470800 -24.1517 -24.3736 11.3105 -25.1224 4.00426 15.0939 6.9847 19.7355 1.26168 TIMING: 2470800 CPU: 7805.89, 0.00315224/step Wall: 7805.89, 0.00315224/step, 2.21463 hours remaining, 236.687500 MB of memory in use. ENERGY: 2470800 4091.1432 20608.6974 14409.9193 238.5059 -203649.2892 2786.3796 0.0000 0.0000 52205.7790 -109308.8647 300.0273 -161514.6437 -108953.9656 299.4779 -166.5179 -138.3743 762347.1458 -6.2466 -6.2953 PRESSURE: 2471000 -233.411 -38.8602 22.4508 -38.8592 -102.023 -4.60748 22.4518 -4.60759 166.866 GPRESSURE: 2471000 -144.745 -68.61 18.2739 -3.96223 -57.0016 28.9086 -49.1761 -65.0507 120.506 PRESSAVG: 2471000 11.7425 -11.2039 13.9831 -11.2039 -36.7338 -5.64188 13.9831 -5.64181 -20.8313 GPRESSAVG: 2471000 11.8219 -12.9886 13.1539 -8.64782 -36.851 -4.90197 15.4195 -4.02924 -20.5716 TIMING: 2471000 CPU: 7806.53, 0.00316085/step Wall: 7806.53, 0.00316085/step, 2.2205 hours remaining, 236.687500 MB of memory in use. ENERGY: 2471000 3917.3786 20539.7513 14454.8207 253.1749 -203379.8981 2709.8045 0.0000 0.0000 52074.8692 -109430.0988 299.2750 -161504.9680 -109069.2010 299.5070 -56.1893 -27.0801 762742.1463 -15.2742 -15.2002 PRESSURE: 2471200 137.774 37.5225 -118.087 37.5209 -216.839 -7.42251 -118.087 -7.42285 325.133 GPRESSURE: 2471200 190.154 38.7798 -96.8562 33.6596 -95.8218 7.52674 -10.1465 -82.1935 249.348 PRESSAVG: 2471200 8.95445 -1.68605 -37.919 -1.68611 13.5205 17.5505 -37.919 17.5505 15.9632 GPRESSAVG: 2471200 10.1633 -2.12963 -38.537 -2.95103 11.4066 17.7975 -36.6877 16.8215 16.4432 TIMING: 2471200 CPU: 7807.16, 0.00315473/step Wall: 7807.16, 0.00315474/step, 2.21603 hours remaining, 236.687500 MB of memory in use. ENERGY: 2471200 3951.3776 20482.7990 14459.0342 233.7913 -203638.1770 2940.8008 0.0000 0.0000 51973.5868 -109596.7872 298.6929 -161570.3741 -109227.3701 298.8718 82.0229 114.5599 761229.9667 12.8127 12.6711 PRESSURE: 2471400 34.504 167.378 95.0338 167.377 -287.348 -20.0935 95.0338 -20.0932 -143.32 GPRESSURE: 2471400 6.37094 186.838 -11.4382 120.383 -182.484 -5.7383 63.2548 -56.7567 -126.393 PRESSAVG: 2471400 15.4661 -41.4595 -74.8056 -41.4595 -6.28539 -1.50711 -74.8056 -1.50713 11.8258 GPRESSAVG: 2471400 13.8993 -40.894 -74.1711 -41.3027 -4.06603 -0.450021 -77.0342 -2.31965 10.9702 TIMING: 2471400 CPU: 7807.79, 0.00314951/step Wall: 7807.79, 0.00314951/step, 2.21218 hours remaining, 236.687500 MB of memory in use. ENERGY: 2471400 4099.6861 20555.2767 14438.3273 260.0233 -203453.7408 2766.6103 0.0000 0.0000 51923.7857 -109410.0314 298.4067 -161333.8171 -109040.4876 299.0160 -132.0548 -100.8353 762044.6840 7.0022 6.9345 PRESSURE: 2471600 24.1007 28.5624 138.809 28.5632 -412.572 -23.3724 138.809 -23.3738 -453.929 GPRESSURE: 2471600 -14.496 -32.5562 75.2742 27.1971 -341.168 -93.5737 126.422 8.662 -415.124 PRESSAVG: 2471600 9.69641 4.44553 -42.2452 4.44545 18.1396 49.3172 -42.2453 49.3172 -1.8415 GPRESSAVG: 2471600 9.41598 5.11987 -41.3452 3.13076 17.6014 47.025 -43.4971 50.964 -1.02935 TIMING: 2471600 CPU: 7808.41, 0.00314242/step Wall: 7808.41, 0.00314242/step, 2.20703 hours remaining, 236.687500 MB of memory in use. ENERGY: 2471600 3964.5605 20495.7605 14512.7014 223.3460 -203503.3217 2557.2868 0.0000 0.0000 52146.8793 -109602.7872 299.6888 -161749.6665 -109238.8439 299.0410 -280.7999 -256.9294 763344.9120 8.6648 8.6627 PRESSURE: 2471800 107.863 -203.606 -3.58599 -203.606 306.597 -94.0292 -3.58583 -94.0295 18.1005 GPRESSURE: 2471800 168.763 -171.624 25.5552 -211.068 332.828 -112.843 49.3898 -132.589 2.6672 PRESSAVG: 2471800 -60.6244 -74.2597 10.1514 -74.2597 32.7047 -14.2113 10.1514 -14.2112 -28.9612 GPRESSAVG: 2471800 -60.1171 -75.3802 9.65334 -72.9616 32.4999 -12.3912 11.3168 -16.3622 -29.4076 TIMING: 2471800 CPU: 7809.04, 0.0031364/step Wall: 7809.04, 0.0031364/step, 2.20262 hours remaining, 236.675781 MB of memory in use. ENERGY: 2471800 3969.8415 20381.6596 14476.6353 247.6896 -203555.9352 2834.3456 0.0000 0.0000 52060.0462 -109585.7174 299.1898 -161645.7636 -109225.0255 298.7400 144.1870 168.0861 761891.7395 -18.9603 -19.0083 PRESSURE: 2472000 8.97846 16.4208 -263.712 16.4202 -395.969 -24.4314 -263.712 -24.4318 84.3989 GPRESSURE: 2472000 -59.5889 17.9792 -210.242 -14.2762 -237.569 -6.51567 -100.147 -57.7247 70.6096 PRESSAVG: 2472000 -77.6482 -70.7267 -23.473 -70.7267 55.9689 8.22302 -23.4731 8.22299 4.91134 GPRESSAVG: 2472000 -77.9263 -69.4723 -23.6377 -71.4401 57.1769 7.34386 -23.5281 10.6504 4.19573 TIMING: 2472000 CPU: 7809.67, 0.00314747/step Wall: 7809.67, 0.00314747/step, 2.21023 hours remaining, 236.687500 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: 2472000 3881.1823 20560.2675 14391.8806 241.8178 -203406.2556 2601.5764 0.0000 0.0000 52056.8516 -109672.6793 299.1714 -161729.5309 -109306.2524 299.0776 -100.8639 -75.5161 762840.2371 -5.5893 -5.5179 PRESSURE: 2472200 105.035 -4.7007 108.602 -4.70101 39.7232 276.614 108.602 276.614 230.934 GPRESSURE: 2472200 143.689 -36.4465 97.1674 36.1328 108.037 300.04 20.0635 172.824 220.885 PRESSAVG: 2472200 21.8403 30.5498 -14.7844 30.5499 40.8681 34.8619 -14.7844 34.8618 6.79213 GPRESSAVG: 2472200 21.6103 29.1118 -13.5582 29.9167 39.522 34.1461 -14.9704 35.565 8.0194 TIMING: 2472200 CPU: 7810.3, 0.00313657/step Wall: 7810.3, 0.00313657/step, 2.2024 hours remaining, 236.687500 MB of memory in use. ENERGY: 2472200 4016.4776 20623.4714 14380.7796 238.4851 -203832.3020 2937.0792 0.0000 0.0000 51998.8526 -109637.1566 298.8381 -161636.0091 -109278.9897 298.9671 125.2308 157.5368 761213.3164 23.1669 23.0506 LDB: ============= START OF LOAD BALANCING ============== 7822.83 LDB: ============== END OF LOAD BALANCING =============== 7822.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7822.83 LDB: ============= START OF LOAD BALANCING ============== 7823.15 LDB: Largest compute 7056 load 0.032631 is 16.7% of average load 0.195506 LDB: Average compute 0.004411 is 2.3% of average load 0.195506 LDB: TIME 7823.15 LOAD: AVG 0.195506 MAX 0.214361 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.445 MB LDB: TIME 7823.15 LOAD: AVG 0.195506 MAX 0.214361 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: TIME 7823.15 LOAD: AVG 0.195506 MAX 0.214361 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: ============== END OF LOAD BALANCING =============== 7823.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7823.16 PRESSURE: 2472400 102.402 -115.964 109.594 -115.964 -94.121 -84.7517 109.593 -84.7518 212.64 GPRESSURE: 2472400 192.346 -50.4234 -9.56921 -49.5303 -56.6739 37.9983 56.4509 -62.564 161.823 PRESSAVG: 2472400 -23.1711 -29.7774 -8.20012 -29.7773 7.39383 29.9113 -8.20016 29.9111 11.2189 GPRESSAVG: 2472400 -22.5413 -28.1304 -9.42954 -28.1033 7.26105 31.482 -8.37572 28.3744 10.521 TIMING: 2472400 CPU: 7810.94, 0.00320142/step Wall: 7810.94, 0.00320142/step, 2.24775 hours remaining, 236.414062 MB of memory in use. ENERGY: 2472400 3996.2148 20491.4093 14440.9797 245.8628 -203827.3318 3052.5822 0.0000 0.0000 52101.3108 -109498.9722 299.4269 -161600.2830 -109140.8652 298.8435 73.6404 99.1648 761363.0810 -1.5194 -1.5864 PRESSURE: 2472600 -333.717 97.6397 124.994 97.6385 2.53023 140.919 124.994 140.919 185.097 GPRESSURE: 2472600 -192.935 8.96733 130.339 136.244 39.8603 114.617 109.189 76.4484 77.7837 PRESSAVG: 2472600 -25.015 -21.1082 -21.0334 -21.1083 12.9372 26.0195 -21.0334 26.0194 12.5915 GPRESSAVG: 2472600 -24.9327 -21.8138 -21.258 -20.7244 12.9031 25.0357 -19.9991 26.0351 12.2047 TIMING: 2472600 CPU: 7811.57, 0.00314704/step Wall: 7811.57, 0.00314704/step, 2.2094 hours remaining, 236.617188 MB of memory in use. ENERGY: 2472600 4055.8757 20732.6564 14477.9841 241.8279 -203527.0604 2738.1092 0.0000 0.0000 51805.0692 -109475.5378 297.7244 -161280.6070 -109126.9868 299.1202 -48.6968 -25.0969 761790.9197 0.1712 0.0584 PRESSURE: 2472800 1.46492 -106.845 70.1786 -106.845 -64.7551 31.5466 70.1796 31.5456 -215.398 GPRESSURE: 2472800 -0.991973 -109.535 60.8318 -173.985 -30.2101 -33.4472 5.2545 2.34494 -171.432 PRESSAVG: 2472800 -6.19158 16.8371 -14.086 16.8371 29.6848 -1.05145 -14.0861 -1.05144 -2.00747 GPRESSAVG: 2472800 -7.40278 18.8007 -13.7752 15.4964 30.5323 -0.066818 -15.6403 -1.71238 -1.57281 TIMING: 2472800 CPU: 7812.2, 0.00313756/step Wall: 7812.2, 0.00313756/step, 2.20257 hours remaining, 236.617188 MB of memory in use. ENERGY: 2472800 4106.6588 20448.6506 14447.6598 239.1206 -203439.8568 2811.1943 0.0000 0.0000 51890.7621 -109495.8106 298.2169 -161386.5727 -109130.4347 299.2162 -92.8960 -67.5447 763926.9063 7.1619 7.1856 PRESSURE: 2473000 67.3627 -85.0191 -114.869 -85.0181 265.823 366.87 -114.869 366.871 665.841 GPRESSURE: 2473000 150.177 -151.691 -96.8993 25.0115 272.517 338.253 12.6555 480.832 651.47 PRESSAVG: 2473000 -42.1959 -68.7951 14.8746 -68.7951 -31.1332 50.3662 14.8745 50.3662 23.144 GPRESSAVG: 2473000 -41.6683 -71.3212 14.5675 -69.6685 -31.1356 51.7672 16.1526 51.0146 22.3853 TIMING: 2473000 CPU: 7812.83, 0.0031512/step Wall: 7812.83, 0.0031512/step, 2.21196 hours remaining, 236.617188 MB of memory in use. ENERGY: 2473000 3944.1778 20684.8962 14441.6651 248.1665 -203522.8881 2855.1868 0.0000 0.0000 52041.9119 -109306.8838 299.0856 -161348.7958 -108945.6602 299.1141 333.0088 358.0547 762456.1940 -16.7284 -16.8062 PRESSURE: 2473200 -55.197 55.3437 -72.4081 55.3433 287.971 83.4679 -72.4082 83.4698 155.709 GPRESSURE: 2473200 8.54084 127.722 -57.5494 33.6547 303.517 25.5655 -181.847 42.618 156.382 PRESSAVG: 2473200 -15.3258 -57.3483 8.85942 -57.3483 21.9321 1.94564 8.85952 1.94566 10.8805 GPRESSAVG: 2473200 -15.4961 -55.059 8.59565 -56.1004 21.307 0.271807 7.83754 2.23208 11.4617 TIMING: 2473200 CPU: 7813.45, 0.00313684/step Wall: 7813.45, 0.00313684/step, 2.20171 hours remaining, 236.617188 MB of memory in use. ENERGY: 2473200 4024.1952 20618.9020 14530.6082 253.5731 -203356.4979 2684.9367 0.0000 0.0000 52046.7401 -109197.5425 299.1133 -161244.2827 -108826.7469 299.4664 129.4945 156.1464 761842.3253 5.8290 5.7575 PRESSURE: 2473400 79.0464 168.731 157.176 168.731 9.21695 -49.958 157.177 -49.9564 144.604 GPRESSURE: 2473400 74.4768 155.518 70.5041 70.3157 86.5812 35.6207 172.055 -143.714 151.76 PRESSAVG: 2473400 -9.5175 -50.2862 82.3613 -50.2862 -19.1428 7.69188 82.3613 7.69177 37.7138 GPRESSAVG: 2473400 -8.20747 -50.903 82.2091 -48.1998 -19.6066 9.53623 83.439 6.14493 36.8939 TIMING: 2473400 CPU: 7814.08, 0.00315272/step Wall: 7814.08, 0.00315272/step, 2.21269 hours remaining, 236.617188 MB of memory in use. ENERGY: 2473400 3989.2472 20584.9025 14492.9794 251.3608 -203357.6665 2787.9248 0.0000 0.0000 52103.5613 -109147.6905 299.4399 -161251.2518 -108780.8706 299.5214 77.6223 104.2728 762116.6262 3.0178 3.0266 PRESSURE: 2473600 227.056 -295.39 65.544 -295.389 84.5476 45.73 65.5437 45.7301 -76.1309 GPRESSURE: 2473600 211.351 -168.161 71.3857 -372.491 186.502 -56.9947 101.91 5.6694 -68.836 PRESSAVG: 2473600 14.8221 -78.4859 28.8815 -78.4859 41.9467 -1.38549 28.8815 -1.38548 -2.06501 GPRESSAVG: 2473600 14.2616 -78.4842 29.9497 -83.3118 42.4639 -4.37162 29.8831 1.05516 -2.3725 TIMING: 2473600 CPU: 7814.71, 0.00314625/step Wall: 7814.71, 0.00314625/step, 2.20797 hours remaining, 236.617188 MB of memory in use. ENERGY: 2473600 4022.9177 20479.5556 14508.8712 251.8208 -203826.7087 3041.2685 0.0000 0.0000 52138.4931 -109383.7818 299.6406 -161522.2749 -109019.2824 299.5584 78.4910 109.6723 763329.2610 18.2346 18.1176 PRESSURE: 2473800 212.676 -213.136 -79.4658 -213.137 96.6665 287.284 -79.466 287.285 155.772 GPRESSURE: 2473800 339.796 -42.3363 -118.337 -83.2151 125.589 340.017 -120.055 253.608 84.3662 PRESSAVG: 2473800 -26.7885 -38.7728 44.028 -38.7728 11.9143 28.1144 44.0279 28.1144 42.0379 GPRESSAVG: 2473800 -26.7091 -39.6628 43.8773 -34.7094 11.9277 29.6924 41.401 26.5912 42.2054 TIMING: 2473800 CPU: 7815.35, 0.0031662/step Wall: 7815.35, 0.0031662/step, 2.22179 hours remaining, 236.617188 MB of memory in use. ENERGY: 2473800 3997.9592 20583.5277 14457.0169 239.9613 -203583.1367 3107.5445 0.0000 0.0000 51811.5140 -109385.6132 297.7615 -161197.1271 -109023.4211 299.2062 155.0380 183.2505 763684.3917 9.0546 9.1413 PRESSURE: 2474000 -51.3353 -141.917 88.8757 -141.917 229.927 211.937 88.8764 211.936 245.762 GPRESSURE: 2474000 -70.0996 -150.323 110.571 -36.7373 341.803 275.896 121.6 152.274 240.607 PRESSAVG: 2474000 -37.1459 -66.0664 -17.0376 -66.0664 23.8135 -6.4494 -17.0375 -6.4494 3.69384 GPRESSAVG: 2474000 -37.7021 -66.8596 -17.619 -67.4079 24.6318 -6.42841 -15.1558 -6.82166 3.15913 TIMING: 2474000 CPU: 7815.98, 0.00316327/step Wall: 7815.98, 0.00316327/step, 2.21956 hours remaining, 236.617188 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: 2474000 4067.6347 20578.9411 14486.0307 249.0276 -204079.4458 3098.8607 0.0000 0.0000 52409.7142 -109189.2369 301.1993 -161598.9511 -108825.2691 299.6511 141.4511 170.7701 761661.0394 -3.2128 -3.3037 PRESSURE: 2474200 -159.684 -130.954 -67.4849 -130.953 -425.067 -225.962 -67.4853 -225.963 -547.786 GPRESSURE: 2474200 -221.303 0.138938 -141.205 -75.3317 -215.137 -157.974 -87.6598 -278.01 -604.773 PRESSAVG: 2474200 -21.6902 -84.8859 -13.6232 -84.8859 67.4827 -11.7539 -13.6232 -11.7539 -6.4656 GPRESSAVG: 2474200 -22.2914 -83.4223 -13.7327 -84.0533 67.1176 -11.7228 -13.7401 -9.90823 -5.32019 TIMING: 2474200 CPU: 7816.61, 0.00315497/step Wall: 7816.61, 0.00315497/step, 2.21356 hours remaining, 236.617188 MB of memory in use. ENERGY: 2474200 4009.3093 20620.1793 14520.9768 263.4904 -203258.7806 2651.6852 0.0000 0.0000 52170.5615 -109022.5781 299.8249 -161193.1396 -108647.4758 299.8048 -377.5124 -347.0712 763749.0374 13.1090 13.1687 PRESSURE: 2474400 20.3929 -110.747 143.95 -110.748 194.275 24.3804 143.951 24.3807 -62.4074 GPRESSURE: 2474400 142.677 -230.796 156.625 -42.8408 156.337 16.0435 230.442 150.58 -35.0286 PRESSAVG: 2474400 -69.9161 -83.9171 19.8895 -83.9171 46.0643 26.1301 19.8894 26.1301 4.72617 GPRESSAVG: 2474400 -68.6872 -81.2864 22.8747 -86.7586 44.7671 26.6591 18.1858 24.5323 4.8246 TIMING: 2474400 CPU: 7817.24, 0.00316681/step Wall: 7817.24, 0.00316681/step, 2.2217 hours remaining, 236.617188 MB of memory in use. ENERGY: 2474400 3967.7913 20631.2621 14481.0213 243.0465 -203240.4249 2594.1660 0.0000 0.0000 52308.3936 -109014.7441 300.6171 -161323.1377 -108643.1522 299.8282 50.7536 87.9954 763704.3845 -6.3752 -6.3652 PRESSURE: 2474600 -75.9503 -37.8744 -68.8059 -37.8743 26.9221 83.5106 -68.8058 83.5118 139.618 GPRESSURE: 2474600 -60.3847 11.1658 -2.586 -59.9149 34.4991 36.5336 73.8623 133.818 198.707 PRESSAVG: 2474600 -35.9881 -55.2948 -7.78727 -55.2948 61.2649 -8.4003 -7.78719 -8.40032 -16.0697 GPRESSAVG: 2474600 -36.0831 -57.284 -9.08137 -50.7305 60.9932 -8.46124 -4.7362 -7.99544 -15.516 TIMING: 2474600 CPU: 7817.88, 0.00317226/step Wall: 7817.88, 0.00317227/step, 2.22534 hours remaining, 236.617188 MB of memory in use. ENERGY: 2474600 3975.7884 20571.4247 14439.8493 240.2701 -203445.9072 2749.5104 0.0000 0.0000 52353.8571 -109115.2073 300.8783 -161469.0644 -108742.1502 299.9562 30.1966 57.6072 762075.5660 3.0690 3.1313 PRESSURE: 2474800 201.345 -42.1563 -296.912 -42.1558 354.401 12.9107 -296.912 12.9105 -47.977 GPRESSURE: 2474800 229.23 -48.8313 -153.487 -50.5594 343.673 71.7788 -404.436 132.031 19.3881 PRESSAVG: 2474800 -82.5139 -14.9234 -73.2917 -14.9234 69.1832 -16.3444 -73.2917 -16.3445 30.1498 GPRESSAVG: 2474800 -82.6102 -15.1002 -74.3859 -19.3283 69.8652 -16.5208 -74.811 -16.3425 29.5736 TIMING: 2474800 CPU: 7818.51, 0.00316323/step Wall: 7818.51, 0.00316323/step, 2.21883 hours remaining, 236.617188 MB of memory in use. ENERGY: 2474800 3997.2513 20545.4346 14492.9192 239.1738 -203369.0688 2775.3900 0.0000 0.0000 52159.8741 -109159.0259 299.7635 -161318.9000 -108798.2618 300.0167 169.2563 197.4303 762472.2301 5.6064 5.6095 PRESSURE: 2475000 489.179 -66.3764 -42.834 -66.3771 55.1022 -68.7455 -42.833 -68.747 84.5085 GPRESSURE: 2475000 476.294 -21.9344 -30.0659 45.3265 113.302 0.81715 -268.514 -30.5085 108.769 PRESSAVG: 2475000 9.80541 -33.0369 -2.10096 -33.037 31.1058 -14.2983 -2.10101 -14.2983 25.7142 GPRESSAVG: 2475000 10.3231 -32.1849 -1.78956 -30.0735 30.9884 -13.7358 -1.90862 -15.5136 25.3553 TIMING: 2475000 CPU: 7819.14, 0.0031562/step Wall: 7819.14, 0.0031562/step, 2.21373 hours remaining, 236.617188 MB of memory in use. ENERGY: 2475000 3937.1216 20603.1837 14496.7083 251.9293 -203645.5633 2963.2583 0.0000 0.0000 52363.5933 -109029.7689 300.9343 -161393.3622 -108662.6854 300.0869 209.5966 232.7885 761017.7337 22.2085 22.2223 PRESSURE: 2475200 40.895 121.732 20.7825 121.732 58.2134 -89.0289 20.7825 -89.0288 -235.03 GPRESSURE: 2475200 -17.5864 94.4198 16.665 42.5182 157.78 -290.07 53.9131 33.2652 -195.608 PRESSAVG: 2475200 18.0305 -40.9376 -41.5019 -40.9376 -8.51329 -70.1495 -41.5019 -70.1495 -6.65123 GPRESSAVG: 2475200 17.2878 -42.069 -41.5909 -42.6493 -7.6979 -70.8541 -40.6709 -67.6793 -6.72959 TIMING: 2475200 CPU: 7819.77, 0.00313435/step Wall: 7819.77, 0.00313435/step, 2.19822 hours remaining, 236.617188 MB of memory in use. ENERGY: 2475200 3983.8938 20556.4369 14495.0407 249.2100 -203061.0084 2706.1074 0.0000 0.0000 52172.1138 -108898.2057 299.8339 -161070.3196 -108533.9191 300.1608 -45.3072 -18.4714 762504.5087 0.9553 0.9534 PRESSURE: 2475400 158.614 -242.958 -69.4937 -242.957 -120.025 60.5055 -69.4928 60.504 138.347 GPRESSURE: 2475400 150.172 -256.522 -51.3729 -297.184 -78.1827 58.5535 -172.882 -34.4028 215.356 PRESSAVG: 2475400 44.5083 -58.0236 -6.78704 -58.0236 7.6056 -0.283672 -6.78697 -0.283641 -26.3419 GPRESSAVG: 2475400 45.033 -60.4346 -5.59105 -57.9931 6.83655 0.461141 -8.55816 -2.16392 -26.3137 TIMING: 2475400 CPU: 7820.4, 0.003152/step Wall: 7820.4, 0.003152/step, 2.21043 hours remaining, 236.617188 MB of memory in use. ENERGY: 2475400 4007.0122 20675.2912 14446.5689 245.9029 -203049.9590 2505.4553 0.0000 0.0000 52096.2897 -109073.4386 299.3981 -161169.7284 -108713.9369 299.5600 58.9787 95.7819 762742.9268 8.5907 8.5186 PRESSURE: 2475600 -247.391 164.689 -303.214 164.69 -470.991 -95.6217 -303.213 -95.6209 -468.77 GPRESSURE: 2475600 -280.584 240.534 -274.956 102.445 -351.319 -116.796 -289.279 7.78739 -468.47 PRESSAVG: 2475600 -6.54293 31.7237 -53.8609 31.7237 -40.618 74.7598 -53.8609 74.7599 4.56211 GPRESSAVG: 2475600 -8.03203 35.1395 -54.3759 31.3255 -39.663 74.7991 -52.2991 73.5661 4.9361 TIMING: 2475600 CPU: 7821.03, 0.00316085/step Wall: 7821.03, 0.00316085/step, 2.21646 hours remaining, 236.617188 MB of memory in use. ENERGY: 2475600 4099.6059 20572.3904 14454.3017 247.6213 -203014.7781 2506.1126 0.0000 0.0000 52078.6503 -109056.0959 299.2967 -161134.7462 -108695.9193 299.6612 -395.7170 -366.7911 761556.1885 -14.1996 -14.2530 PRESSURE: 2475800 -141.983 25.4468 64.5388 25.4474 114.189 -144.617 64.5391 -144.616 -85.7974 GPRESSURE: 2475800 -42.9933 16.1912 -59.5347 64.8672 135.488 -159.859 126.454 -167.468 -108.748 PRESSAVG: 2475800 -10.3294 0.725787 -30.762 0.725777 21.5074 37.7807 -30.762 37.7808 1.66392 GPRESSAVG: 2475800 -10.5169 -2.15639 -32.3459 2.63542 21.899 36.6552 -31.1624 39.4999 1.30423 TIMING: 2475800 CPU: 7821.66, 0.00314303/step Wall: 7821.66, 0.00314303/step, 2.20379 hours remaining, 236.617188 MB of memory in use. ENERGY: 2475800 3976.4700 20569.0587 14427.0833 250.4824 -203067.5582 2448.0885 0.0000 0.0000 52460.1156 -108936.2597 301.4890 -161396.3753 -108582.7891 300.4806 -37.8640 -5.4175 762502.5385 4.2806 4.2288 PRESSURE: 2476000 -67.5707 -134.405 71.0424 -134.405 -150.094 -11.6151 71.0434 -11.6148 -135.244 GPRESSURE: 2476000 -34.6812 -36.607 52.2476 -199.514 -74.6689 -44.7296 -7.07736 -4.9615 -141.516 PRESSAVG: 2476000 -39.3912 -9.90953 8.63065 -9.90952 0.614241 -5.46727 8.6306 -5.4673 -11.2497 GPRESSAVG: 2476000 -39.3974 -7.9292 10.2208 -9.3772 0.123455 -4.56615 8.99782 -6.44779 -10.0436 TIMING: 2476000 CPU: 7822.29, 0.00314377/step Wall: 7822.29, 0.00314377/step, 2.20414 hours remaining, 236.617188 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: 2476000 3998.2425 20517.9706 14419.6974 265.3372 -203153.1516 2671.5825 0.0000 0.0000 52243.6634 -109036.6580 300.2451 -161280.3213 -108661.4594 299.9934 -117.6362 -83.6222 762579.1599 -16.6756 -16.4392 PRESSURE: 2476200 152.22 277.41 -9.28644 277.409 -135.578 -171.192 -9.2871 -171.193 -31.4877 GPRESSURE: 2476200 183.781 356.642 82.5887 231.49 -107.557 -219.414 51.4244 -209.373 -34.7241 PRESSAVG: 2476200 -33.6332 3.95531 8.60455 3.95526 31.075 -28.5767 8.60452 -28.5767 -6.23167 GPRESSAVG: 2476200 -31.4542 4.06723 7.2701 3.0104 30.3789 -29.571 7.64952 -26.9832 -8.39815 TIMING: 2476200 CPU: 7822.91, 0.00312008/step Wall: 7822.91, 0.00312008/step, 2.18735 hours remaining, 236.617188 MB of memory in use. ENERGY: 2476200 3951.7635 20642.9461 14485.0286 238.8306 -203158.5465 2798.5111 0.0000 0.0000 52069.6159 -108971.8506 299.2448 -161041.4665 -108609.8981 300.0070 -4.9483 13.8335 762372.4979 -2.9300 -3.1578 LDB: ============= START OF LOAD BALANCING ============== 7835.44 LDB: ============== END OF LOAD BALANCING =============== 7835.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7835.45 LDB: ============= START OF LOAD BALANCING ============== 7835.76 LDB: Largest compute 7056 load 0.031909 is 16.3% of average load 0.195573 LDB: Average compute 0.004393 is 2.2% of average load 0.195573 LDB: TIME 7835.76 LOAD: AVG 0.195573 MAX 0.216581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235 MB LDB: TIME 7835.77 LOAD: AVG 0.195573 MAX 0.216581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: TIME 7835.77 LOAD: AVG 0.195573 MAX 0.216581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.094 MB LDB: ============== END OF LOAD BALANCING =============== 7835.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7835.77 PRESSURE: 2476400 173.859 75.4461 -60.5673 75.4453 -105.328 99.3832 -60.567 99.3843 -173.701 GPRESSURE: 2476400 207.318 21.4776 -45.0677 108.086 -23.2857 65.7984 -9.08235 189.086 -204.686 PRESSAVG: 2476400 24.6416 -6.9266 10.8066 -6.92667 -25.2443 7.96055 10.8066 7.96056 38.7479 GPRESSAVG: 2476400 23.1482 -8.26594 11.6896 -7.42388 -25.451 7.84038 11.7251 7.71516 40.1355 TIMING: 2476400 CPU: 7823.56, 0.00321405/step Wall: 7823.56, 0.00321405/step, 2.25305 hours remaining, 234.875000 MB of memory in use. ENERGY: 2476400 3945.6293 20533.0504 14430.3382 249.5502 -203380.0553 2667.5243 0.0000 0.0000 52351.0479 -109202.9148 300.8622 -161553.9628 -108828.8982 300.3564 -35.0569 -6.8845 761124.3941 12.7151 12.6109 PRESSURE: 2476600 -234.637 47.5712 129.119 47.5707 -80.0041 -163.413 129.118 -163.413 -149.198 GPRESSURE: 2476600 -334.146 -8.55659 122.289 113.817 19.7344 -143.351 185.13 -226.943 -71.6903 PRESSAVG: 2476600 -19.5131 -5.77687 -10.5539 -5.77692 -15.4538 -22.2256 -10.5539 -22.2256 -20.9427 GPRESSAVG: 2476600 -20.0333 -5.36159 -10.1571 -7.43778 -15.7034 -20.3734 -10.8769 -24.1464 -20.3944 TIMING: 2476600 CPU: 7824.18, 0.00313571/step Wall: 7824.18, 0.00313571/step, 2.19796 hours remaining, 234.875000 MB of memory in use. ENERGY: 2476600 3966.7371 20482.7072 14440.3260 244.2559 -202717.7085 2400.4630 0.0000 0.0000 52072.9457 -109110.2738 299.2639 -161183.2195 -108744.1693 299.4633 -154.6130 -128.7005 763707.3436 -18.6365 -18.7104 PRESSURE: 2476800 -152.626 45.5586 -91.6118 45.5575 72.5812 -43.483 -91.6108 -43.4835 324.965 GPRESSURE: 2476800 -102.116 6.16528 -23.1381 23.0021 167.287 -51.025 -129.719 -91.1012 286.692 PRESSAVG: 2476800 -35.0031 -17.4276 -11.3358 -17.4277 -18.7685 -49.8914 -11.3358 -49.8914 -7.66157 GPRESSAVG: 2476800 -34.3348 -18.4839 -11.0306 -14.84 -18.2603 -49.4821 -10.7868 -49.3184 -8.57649 TIMING: 2476800 CPU: 7824.81, 0.00314436/step Wall: 7824.81, 0.00314436/step, 2.20385 hours remaining, 234.945312 MB of memory in use. ENERGY: 2476800 4076.3136 20551.2155 14480.5894 250.4537 -203484.7075 2902.9392 0.0000 0.0000 52089.0948 -109134.1014 299.3567 -161223.1961 -108777.7012 299.5326 81.6403 117.2878 762739.8536 -20.4777 -20.3905 PRESSURE: 2477000 351.002 -185.422 57.2214 -185.421 -13.8321 36.3999 57.2213 36.4 -90.0513 GPRESSURE: 2477000 372.081 -154.959 -4.73308 -107.339 -24.6546 35.5525 86.4534 78.648 -14.8084 PRESSAVG: 2477000 44.1479 13.5085 -19.4066 13.5085 -7.93719 -5.32009 -19.4066 -5.32018 22.5568 GPRESSAVG: 2477000 43.6328 13.7213 -19.5407 13.9725 -6.38592 -7.44689 -19.6128 -3.94706 22.1204 TIMING: 2477000 CPU: 7825.44, 0.00314746/step Wall: 7825.44, 0.00314746/step, 2.20584 hours remaining, 235.148438 MB of memory in use. ENERGY: 2477000 3979.5461 20583.8499 14450.2629 246.4713 -203421.1860 2875.0767 0.0000 0.0000 52148.5789 -109137.4002 299.6986 -161285.9791 -108780.2122 300.2190 82.3730 110.8726 760931.0416 19.5892 19.7891 PRESSURE: 2477200 -495.249 70.7762 -113.259 70.7759 210.757 105.197 -113.26 105.196 -68.9838 GPRESSURE: 2477200 -383.111 20.0891 47.8625 89.2072 185.742 68.9557 -104.161 46.5802 -71.4859 PRESSAVG: 2477200 -16.0027 16.0635 19.0522 16.0635 15.4527 0.405825 19.0521 0.405895 19.7305 GPRESSAVG: 2477200 -14.6637 16.2062 17.808 15.4264 13.5478 0.401139 19.2343 0.198033 20.195 TIMING: 2477200 CPU: 7826.07, 0.00314831/step Wall: 7826.07, 0.00314831/step, 2.20626 hours remaining, 235.148438 MB of memory in use. ENERGY: 2477200 4024.3495 20702.5139 14578.3030 252.7773 -203288.4584 2594.9090 0.0000 0.0000 52227.2888 -108908.3168 300.1509 -161135.6057 -108548.9370 300.1887 -117.8254 -89.6184 761101.9024 6.3935 6.3597 PRESSURE: 2477400 116.933 151.976 -40.5394 151.976 -6.48333 -34.1558 -40.5392 -34.1565 380.929 GPRESSURE: 2477400 185.038 125.423 -77.7121 -40.029 -5.99349 -61.1099 -37.9522 -14.2236 380.944 PRESSAVG: 2477400 -7.06536 -9.88612 -13.4398 -9.88609 45.343 -44.5281 -13.4397 -44.5282 -0.759054 GPRESSAVG: 2477400 -7.04432 -9.26731 -10.1922 -9.09353 44.0415 -45.1765 -14.7098 -44.3009 0.348422 TIMING: 2477400 CPU: 7826.7, 0.00314646/step Wall: 7826.7, 0.00314646/step, 2.20479 hours remaining, 235.148438 MB of memory in use. ENERGY: 2477400 3982.1018 20579.9645 14527.8044 262.8261 -203092.4855 2553.2584 0.0000 0.0000 52425.2504 -108761.2800 301.2886 -161186.5304 -108397.8863 300.6682 163.7931 186.6628 761326.7404 12.5062 12.4485 PRESSURE: 2477600 138.81 -119.273 -23.1563 -119.274 103.438 161.495 -23.1568 161.495 -82.1969 GPRESSURE: 2477600 132.52 7.65762 7.55442 -20.7385 187.63 137.633 -38.4456 120.84 -84.7931 PRESSAVG: 2477600 -9.96094 1.34565 41.0017 1.34567 22.4986 -24.1944 41.0017 -24.1944 -12.001 GPRESSAVG: 2477600 -10.4264 1.80976 39.1996 0.56393 24.4445 -22.0982 41.7456 -25.2982 -13.7169 TIMING: 2477600 CPU: 7827.33, 0.00314916/step Wall: 7827.33, 0.00314916/step, 2.20651 hours remaining, 235.148438 MB of memory in use. ENERGY: 2477600 3943.4823 20727.7533 14485.2413 254.9423 -203517.4075 2786.0332 0.0000 0.0000 52551.7014 -108768.2535 302.0154 -161319.9550 -108400.0167 300.9369 53.3505 78.4524 761623.9510 0.1789 0.1004 PRESSURE: 2477800 41.3458 -130.596 286.742 -130.597 -56.0222 -6.25516 286.742 -6.2548 -357.342 GPRESSURE: 2477800 66.1959 -172.656 295.054 -218.815 1.15042 57.8997 193.997 -1.18033 -359.336 PRESSAVG: 2477800 -39.3405 13.848 57.3233 13.848 24.1389 -49.2073 57.3233 -49.2073 -17.7892 GPRESSAVG: 2477800 -38.1463 13.7095 57.6032 14.1483 22.3444 -48.6809 57.8524 -49.4708 -17.5448 TIMING: 2477800 CPU: 7827.96, 0.00314197/step Wall: 7827.96, 0.00314197/step, 2.2013 hours remaining, 235.148438 MB of memory in use. ENERGY: 2477800 3928.1851 20619.2485 14503.4378 258.3644 -202673.3547 2240.8285 0.0000 0.0000 52361.7646 -108761.5259 300.9238 -161123.2906 -108391.4831 300.5046 -124.0061 -97.3299 761056.7182 -10.9969 -11.1156 PRESSURE: 2478000 -195.989 -26.7913 -6.31113 -26.7919 -391.918 -130.024 -6.31148 -130.024 -223.962 GPRESSURE: 2478000 -223.37 -104.638 44.7878 -156.419 -345.187 -82.7655 164.858 -72.9266 -162.468 PRESSAVG: 2478000 5.87099 37.8463 53.8788 37.8463 -9.90705 43.54 53.8788 43.54 -18.1532 GPRESSAVG: 2478000 5.02553 34.7482 54.7918 37.0074 -8.82755 42.9325 54.0271 42.7876 -18.3729 TIMING: 2478000 CPU: 7828.59, 0.00316206/step Wall: 7828.59, 0.00316206/step, 2.2152 hours remaining, 235.148438 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: 2478000 4001.0227 20598.1772 14453.0125 266.4686 -202780.0492 2118.3698 0.0000 0.0000 52361.0663 -108981.9321 300.9198 -161342.9984 -108612.4245 300.7523 -270.6229 -243.6754 761991.5183 -7.3964 -7.3916 PRESSURE: 2478200 -328.046 -61.495 286.646 -61.4946 53.1696 90.7723 286.645 90.7722 -38.6137 GPRESSURE: 2478200 -265.475 -75.9964 263.189 31.0443 44.8805 94.9858 209.546 116.514 -6.42877 PRESSAVG: 2478200 15.146 -38.0729 30.1 -38.0729 33.8792 -39.1514 30.1 -39.1514 17.3522 GPRESSAVG: 2478200 15.7168 -35.4634 28.5224 -37.4111 32.9238 -40.2673 31.71 -36.8932 17.4031 TIMING: 2478200 CPU: 7829.22, 0.00313045/step Wall: 7829.22, 0.00313045/step, 2.19288 hours remaining, 235.148438 MB of memory in use. ENERGY: 2478200 4040.1724 20455.4611 14413.8073 247.9160 -203145.2733 2553.4506 0.0000 0.0000 52348.0039 -109086.4620 300.8447 -161434.4659 -108705.3999 300.6541 -104.4966 -75.6745 760815.4916 22.1258 22.0146 PRESSURE: 2478400 -370.332 98.9784 132.962 98.9782 -238.071 -111.187 132.962 -111.186 -24.6881 GPRESSURE: 2478400 -250.243 -38.6716 180.364 69.1152 -231.407 -107.331 95.1572 -8.74797 -75.9294 PRESSAVG: 2478400 32.5673 -21.9654 1.17462 -21.9654 -86.1387 8.18211 1.17463 8.18211 -20.6136 GPRESSAVG: 2478400 33.0008 -22.1427 1.21221 -24.1151 -85.3127 8.31881 -0.0418195 8.28898 -21.2112 TIMING: 2478400 CPU: 7829.85, 0.00314626/step Wall: 7829.85, 0.00314626/step, 2.20378 hours remaining, 235.148438 MB of memory in use. ENERGY: 2478400 4042.9378 20621.9566 14430.5778 251.5529 -203342.0500 2653.9865 0.0000 0.0000 52073.6410 -109267.3975 299.2679 -161341.0385 -108899.8874 299.5566 -211.0305 -185.8597 763140.5884 -24.7283 -24.5077 PRESSURE: 2478600 -384.414 -19.0609 -75.3453 -19.0607 -378.88 33.4525 -75.3451 33.4535 205.324 GPRESSURE: 2478600 -343.423 77.1995 -29.6338 -135.187 -354.451 -90.294 -121.526 38.5856 211.89 PRESSAVG: 2478600 33.2718 -31.754 -44.789 -31.7539 -28.7147 6.33294 -44.7891 6.3329 24.7721 GPRESSAVG: 2478600 32.821 -31.7321 -44.1021 -31.2617 -29.0948 4.82736 -46.8109 5.75473 25.8185 TIMING: 2478600 CPU: 7830.47, 0.00313492/step Wall: 7830.47, 0.00313492/step, 2.19566 hours remaining, 235.148438 MB of memory in use. ENERGY: 2478600 4034.9103 20668.1115 14399.2935 238.8878 -203303.4053 2525.0497 0.0000 0.0000 52282.2294 -109154.9231 300.4667 -161437.1525 -108793.3936 299.7547 -185.9899 -161.9946 761417.4963 9.7764 9.8482 PRESSURE: 2478800 228.684 -75.4725 84.1203 -75.4717 153.895 144.267 84.121 144.266 -432.397 GPRESSURE: 2478800 172.536 -71.5473 26.1825 -68.0898 186.311 139.529 184.403 50.5139 -312.944 PRESSAVG: 2478800 23.9061 17.8752 4.13012 17.8752 13.563 -7.23101 4.13016 -7.23097 3.46297 GPRESSAVG: 2478800 21.6113 19.2518 4.50974 18.0704 15.5616 -5.02931 5.91804 -6.84437 4.16633 TIMING: 2478800 CPU: 7831.1, 0.00313763/step Wall: 7831.1, 0.00313763/step, 2.19739 hours remaining, 235.148438 MB of memory in use. ENERGY: 2478800 4004.3573 20499.1866 14462.5878 246.4427 -203267.7475 2703.8600 0.0000 0.0000 52155.9191 -109195.3940 299.7408 -161351.3131 -108829.8510 299.5440 -16.6060 15.3008 761230.9605 13.6440 13.7797 PRESSURE: 2479000 -132.405 -118.791 -189.477 -118.791 170.399 -95.3038 -189.477 -95.3042 -484.222 GPRESSURE: 2479000 -41.6654 66.1452 -175.076 -124.238 108.639 -85.4825 -85.8248 -116.192 -432.65 PRESSAVG: 2479000 29.8924 -15.8572 -7.62892 -15.8572 -16.6407 1.47654 -7.62892 1.47655 19.1809 GPRESSAVG: 2479000 33.0724 -16.3626 -7.32912 -14.9309 -19.0544 -0.38455 -9.28316 -0.511188 18.7729 TIMING: 2479000 CPU: 7831.73, 0.00313268/step Wall: 7831.73, 0.00313268/step, 2.19374 hours remaining, 235.148438 MB of memory in use. ENERGY: 2479000 4072.4659 20659.7251 14457.9543 260.2045 -203317.3240 2739.8333 0.0000 0.0000 52036.2503 -109090.8906 299.0530 -161127.1409 -108732.3123 300.0813 -148.7426 -121.8920 761188.6593 10.8109 10.9303 PRESSURE: 2479200 -284.219 169.273 47.4775 169.273 -259.339 22.5064 47.4771 22.5061 55.4703 GPRESSURE: 2479200 -232.591 131.813 -16.4164 144.483 -193.168 2.6196 111.683 -25.5527 37.4496 PRESSAVG: 2479200 -32.507 -0.288298 21.8879 -0.288284 21.1844 -39.9523 21.8879 -39.9522 -21.9582 GPRESSAVG: 2479200 -34.1934 -0.571901 19.4799 -1.00708 21.719 -38.5136 24.2315 -38.797 -21.4422 TIMING: 2479200 CPU: 7832.36, 0.0031436/step Wall: 7832.36, 0.0031436/step, 2.20122 hours remaining, 235.148438 MB of memory in use. ENERGY: 2479200 4006.9116 20572.9862 14412.9079 238.5055 -202830.4779 2613.0264 0.0000 0.0000 52035.6748 -108950.4655 299.0497 -160986.1403 -108580.3614 299.7563 -162.6959 -129.4365 762311.0957 -11.0936 -11.3055 PRESSURE: 2479400 -16.6966 -104.497 43.9339 -104.497 200.212 -227.028 43.9342 -227.027 296.264 GPRESSURE: 2479400 98.9843 -55.8672 19.9564 -2.53747 163.07 -171.42 170.022 -187.531 301.053 PRESSAVG: 2479400 -62.4878 -12.0198 39.7129 -12.0198 1.21627 -66.1572 39.7129 -66.1572 22.7285 GPRESSAVG: 2479400 -61.9439 -11.2759 41.2224 -10.9119 2.01064 -65.0899 39.5969 -66.2365 21.6932 TIMING: 2479400 CPU: 7832.99, 0.00315293/step Wall: 7832.99, 0.00315293/step, 2.20757 hours remaining, 235.148438 MB of memory in use. ENERGY: 2479400 3989.7434 20545.7206 14493.2626 243.7066 -203194.2321 2992.8297 0.0000 0.0000 52181.6060 -108747.3631 299.8884 -160928.9692 -108385.6075 300.0882 159.9266 187.7025 763331.7522 -12.8477 -12.7467 PRESSURE: 2479600 -147.798 178.989 -138.05 178.989 -22.4842 -7.94303 -138.05 -7.94463 -75.6518 GPRESSURE: 2479600 -153.938 158.818 -120.043 118.255 35.3074 -37.3815 -48.7594 34.401 -42.751 PRESSAVG: 2479600 -10.3309 22.1401 -21.865 22.1401 1.97932 -18.1949 -21.865 -18.1949 4.20612 GPRESSAVG: 2479600 -10.3313 21.3564 -22.2557 22.2739 2.56575 -18.2297 -21.0941 -19.9985 4.07967 TIMING: 2479600 CPU: 7833.61, 0.00313118/step Wall: 7833.61, 0.00313118/step, 2.19217 hours remaining, 235.148438 MB of memory in use. ENERGY: 2479600 3972.0218 20530.7704 14529.7003 235.5510 -202960.9182 2768.9334 0.0000 0.0000 52205.1350 -108718.8064 300.0236 -160923.9414 -108353.5186 300.4948 -81.9780 -53.7938 763213.1235 -1.3818 -1.2286 PRESSURE: 2479800 104.626 -37.804 -72.9572 -37.8032 43.823 16.5746 -72.9579 16.5756 125.146 GPRESSURE: 2479800 155.652 -10.4148 -68.6439 49.8094 52.7886 51.0548 -139.058 7.49209 142.713 PRESSAVG: 2479800 -27.7504 -30.2468 6.84297 -30.2468 -2.55136 30.5043 6.84297 30.5042 -4.43086 GPRESSAVG: 2479800 -28.0658 -29.8135 9.1763 -30.3684 -3.11755 30.6145 4.74513 31.8471 -3.78344 TIMING: 2479800 CPU: 7834.24, 0.0031226/step Wall: 7834.24, 0.0031226/step, 2.18599 hours remaining, 235.136719 MB of memory in use. ENERGY: 2479800 4020.1070 20593.7758 14509.1209 256.7916 -203136.2839 2841.2969 0.0000 0.0000 52128.7787 -108786.4128 299.5848 -160915.1916 -108433.4380 300.1260 91.1985 117.0513 764119.1238 -11.5775 -11.6556 PRESSURE: 2480000 -28.0652 178.365 124.701 178.366 73.8256 -102.822 124.702 -102.822 -29.6514 GPRESSURE: 2480000 29.6428 152.159 161.442 108.553 32.4833 -70.6597 88.7851 -70.6027 34.2221 PRESSAVG: 2480000 29.9833 -10.4062 12.9049 -10.4061 -18.3662 -21.0493 12.9049 -21.0492 7.29922 GPRESSAVG: 2480000 30.7043 -9.92083 12.5698 -11.4453 -18.7385 -22.4094 13.3757 -19.257 6.51517 TIMING: 2480000 CPU: 7834.86, 0.0031392/step Wall: 7834.86, 0.0031392/step, 2.19744 hours remaining, 235.136719 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: 2480000 4044.3320 20494.1818 14532.1168 235.8167 -203295.2913 2941.8764 0.0000 0.0000 52093.8483 -108953.1194 299.3841 -161046.9676 -108599.0835 300.0275 5.3697 32.1161 762109.2698 6.3054 6.1603 PRESSURE: 2480200 -194.083 -126.645 244.355 -126.645 254.023 94.8001 244.354 94.7996 -154.698 GPRESSURE: 2480200 -39.0027 -142.035 255.202 -67.6247 252.713 41.5207 198.914 55.3135 -225.861 PRESSAVG: 2480200 9.33356 1.0521 15.2364 1.05213 -73.602 -23.9582 15.2364 -23.9582 -7.74933 GPRESSAVG: 2480200 9.83415 0.313706 14.215 2.31612 -73.903 -23.3695 15.0016 -24.8919 -8.41967 TIMING: 2480200 CPU: 7835.49, 0.00314162/step Wall: 7835.49, 0.00314162/step, 2.19896 hours remaining, 235.136719 MB of memory in use. ENERGY: 2480200 4097.3828 20449.6280 14554.7097 223.8402 -203164.3704 2483.6050 0.0000 0.0000 52459.9321 -108895.2725 301.4880 -161355.2046 -108527.5563 300.2906 -31.5861 -4.0502 761977.9765 -24.0059 -24.1629 LDB: ============= START OF LOAD BALANCING ============== 7848.02 LDB: ============== END OF LOAD BALANCING =============== 7848.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7848.02 LDB: ============= START OF LOAD BALANCING ============== 7848.34 LDB: Largest compute 7058 load 0.033993 is 17.4% of average load 0.195615 LDB: Average compute 0.004389 is 2.2% of average load 0.195615 LDB: TIME 7848.34 LOAD: AVG 0.195615 MAX 0.219719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.168 MB LDB: TIME 7848.34 LOAD: AVG 0.195615 MAX 0.219719 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.371 MB LDB: TIME 7848.34 LOAD: AVG 0.195615 MAX 0.217004 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.371 MB LDB: ============== END OF LOAD BALANCING =============== 7848.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7848.35 PRESSURE: 2480400 -251.063 -258.521 -120.082 -258.52 -106.414 -158.74 -120.082 -158.74 238.997 GPRESSURE: 2480400 -192.543 -192.6 -162.135 -221.784 -120.45 -145.027 -35.8886 -40.9484 259.546 PRESSAVG: 2480400 35.8246 -45.702 20.1448 -45.702 14.6308 -10.9977 20.1448 -10.9976 -13.5086 GPRESSAVG: 2480400 34.2483 -43.4527 21.5954 -46.9259 14.3563 -11.2616 22.5266 -10.6102 -12.0112 TIMING: 2480400 CPU: 7836.13, 0.00319345/step Wall: 7836.13, 0.00319345/step, 2.23506 hours remaining, 235.386719 MB of memory in use. ENERGY: 2480400 3992.1315 20700.5638 14591.7702 238.0044 -203248.5876 2504.6582 0.0000 0.0000 52393.0111 -108828.4485 301.1034 -161221.4595 -108472.7010 300.8463 -39.4934 -17.8155 761771.6753 12.3156 12.1978 PRESSURE: 2480600 -134.177 156.251 212.007 156.251 227.782 -65.0859 212.007 -65.0856 347.307 GPRESSURE: 2480600 -53.1787 94.7456 219.903 129.075 224.096 -18.9696 30.4401 -183.519 359.795 PRESSAVG: 2480600 -13.1594 -14.7475 27.6896 -14.7475 14.4394 -54.7792 27.6896 -54.7791 50.7373 GPRESSAVG: 2480600 -12.5313 -17.113 27.2022 -14.3258 15.7716 -54.7127 24.9753 -56.3357 48.8301 TIMING: 2480600 CPU: 7836.76, 0.00313432/step Wall: 7836.76, 0.00313432/step, 2.1935 hours remaining, 235.386719 MB of memory in use. ENERGY: 2480600 4034.2221 20487.4148 14485.1590 238.7838 -203537.8757 2939.1120 0.0000 0.0000 52097.9925 -109255.1913 299.4079 -161353.1839 -108891.8480 300.0004 146.9707 176.9043 761598.9556 17.3391 17.3568 PRESSURE: 2480800 -417.431 173.29 98.1768 173.29 -98.8462 312.39 98.1764 312.392 -165.756 GPRESSURE: 2480800 -260.145 158.367 89.4235 105.17 -116.399 339.275 33.1733 268.077 -217.883 PRESSAVG: 2480800 -2.0459 -5.51566 26.3957 -5.5156 26.633 19.3467 26.3958 19.3467 6.43874 GPRESSAVG: 2480800 -1.38611 -4.31565 27.288 -4.38277 26.1346 20.2037 27.1832 18.8155 6.19053 TIMING: 2480800 CPU: 7837.38, 0.00312958/step Wall: 7837.38, 0.00312958/step, 2.19001 hours remaining, 235.511719 MB of memory in use. ENERGY: 2480800 4029.9478 20498.5370 14563.7772 237.4866 -203531.6855 2793.2046 0.0000 0.0000 52096.1929 -109312.5394 299.3975 -161408.7323 -108950.1446 299.1908 -227.3445 -198.1423 761610.2140 10.3420 10.3130 PRESSURE: 2481000 -418.311 -68.6762 -121.43 -68.676 153.899 57.2936 -121.43 57.2937 -160.253 GPRESSURE: 2481000 -327.764 -11.8291 -159.67 60.0549 121.71 12.1054 1.86433 18.9673 -143.525 PRESSAVG: 2481000 -18.8049 -5.44867 57.6532 -5.44865 25.353 40.7757 57.6532 40.7758 27.8106 GPRESSAVG: 2481000 -19.5652 -6.4379 57.8137 -4.80176 24.7901 38.6364 59.4869 41.9093 28.964 TIMING: 2481000 CPU: 7838.01, 0.00313949/step Wall: 7838.01, 0.00313949/step, 2.19677 hours remaining, 235.511719 MB of memory in use. ENERGY: 2481000 4013.3851 20422.3940 14442.7117 256.3549 -203142.7511 2449.2162 0.0000 0.0000 52203.1715 -109355.5177 300.0123 -161558.6892 -108983.0760 299.2583 -141.5548 -116.5262 762167.2914 11.4529 11.3963 PRESSURE: 2481200 22.3874 40.8518 64.9438 40.851 -235.814 36.0029 64.9432 36.0028 -15.487 GPRESSURE: 2481200 77.7077 38.7996 41.2607 56.9748 -243.372 87.9684 89.4781 33.8433 20.5323 PRESSAVG: 2481200 9.07338 -28.992 -54.9618 -28.992 -47.4666 -34.7306 -54.9618 -34.7306 4.1234 GPRESSAVG: 2481200 11.0627 -28.7638 -55.2755 -30.3343 -46.6133 -32.4923 -55.6239 -34.0505 1.95693 TIMING: 2481200 CPU: 7838.64, 0.00313916/step Wall: 7838.64, 0.00313916/step, 2.19637 hours remaining, 235.511719 MB of memory in use. ENERGY: 2481200 4000.7649 20494.4275 14441.9854 249.6178 -203334.6496 2968.0435 0.0000 0.0000 51865.6724 -109314.1381 298.0727 -161179.8105 -108953.5822 299.4679 -76.3046 -48.3774 763553.8205 -11.4233 -11.1979 PRESSURE: 2481400 274.279 -70.1874 -4.41291 -70.1877 190.872 -50.1185 -4.41322 -50.119 392.6 GPRESSURE: 2481400 366.729 -7.78651 48.3324 -9.25865 151.709 -27.8497 -4.90856 -59.1962 418.896 PRESSAVG: 2481400 21.9858 -4.22513 30.048 -4.22518 -53.0108 -37.8063 30.048 -37.8063 -9.19382 GPRESSAVG: 2481400 20.8634 -4.39496 30.5354 -3.99099 -54.8002 -39.7635 29.0675 -37.8258 -6.36022 TIMING: 2481400 CPU: 7839.27, 0.00313194/step Wall: 7839.27, 0.00313194/step, 2.19114 hours remaining, 235.511719 MB of memory in use. ENERGY: 2481400 3949.5590 20348.5042 14436.0909 247.2120 -203213.2765 2715.1287 0.0000 0.0000 52077.5423 -109439.2395 299.2904 -161516.7818 -109076.3314 299.1511 285.9169 312.4445 763071.0090 -13.4063 -13.4323 PRESSURE: 2481600 -49.0982 191.381 -100.812 191.381 -184.454 -72.2649 -100.811 -72.2655 160.704 GPRESSURE: 2481600 -1.00032 210.085 -159.983 137.633 -146.881 -45.1193 -107.755 -172.986 162.859 PRESSAVG: 2481600 38.075 -22.833 28.9083 -22.833 16.4656 -31.6146 28.9083 -31.6147 5.0585 GPRESSAVG: 2481600 37.5279 -22.4391 27.703 -23.0021 17.2438 -31.173 28.7061 -31.9293 4.58947 TIMING: 2481600 CPU: 7839.9, 0.00314796/step Wall: 7839.9, 0.00314796/step, 2.20217 hours remaining, 235.511719 MB of memory in use. ENERGY: 2481600 4117.2071 20399.9654 14442.9326 278.3947 -203228.3846 2690.9862 0.0000 0.0000 51955.9998 -109342.8986 298.5918 -161298.8985 -108984.1645 298.9089 -24.2826 4.9923 763410.0164 19.8664 19.7870 PRESSURE: 2481800 -0.224744 -68.5074 -11.5238 -68.5069 2.59941 287.114 -11.524 287.113 -226.392 GPRESSURE: 2481800 30.6584 -145.077 -78.7015 -153.687 72.387 251.779 161.26 235.951 -248.052 PRESSAVG: 2481800 -31.3791 -21.5564 40.4515 -21.5565 13.0828 24.5223 40.4514 24.5223 5.5463 GPRESSAVG: 2481800 -32.0555 -23.2954 42.2588 -20.8316 12.0003 25.3486 39.694 23.3047 6.29769 TIMING: 2481800 CPU: 7840.53, 0.00316648/step Wall: 7840.53, 0.00316648/step, 2.21495 hours remaining, 235.511719 MB of memory in use. ENERGY: 2481800 4005.3118 20517.2157 14496.5355 236.0892 -203229.5327 2706.2116 0.0000 0.0000 52003.1509 -109265.0182 298.8628 -161268.1691 -108898.9580 299.3241 -74.6725 -48.3356 762810.9186 -4.2500 -4.5858 PRESSURE: 2482000 119.92 -96.1004 308.252 -96.0996 92.9231 4.01788 308.252 4.01801 -100.214 GPRESSURE: 2482000 118.408 -100.824 244.36 -7.22808 114.624 18.739 276.993 -49.1587 -42.6686 PRESSAVG: 2482000 -60.139 -77.1117 4.29203 -77.1117 56.3298 -27.1237 4.29208 -27.1236 11.0085 GPRESSAVG: 2482000 -58.6797 -74.7408 2.5064 -79.1557 57.2128 -26.7592 6.37962 -27.1832 9.37022 TIMING: 2482000 CPU: 7841.16, 0.00315598/step Wall: 7841.16, 0.00315598/step, 2.20743 hours remaining, 235.511719 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: 2482000 3977.6347 20534.2164 14485.7173 235.5032 -203767.2202 2879.0511 0.0000 0.0000 52319.8446 -109335.2528 300.6829 -161655.0975 -108963.1350 299.0983 37.5429 63.4547 762305.9816 2.3997 2.6344 PRESSURE: 2482200 72.5952 117.612 63.3875 117.613 -58.6153 -289.471 63.3874 -289.471 114.003 GPRESSURE: 2482200 35.7006 61.8471 130.54 -14.1321 17.9001 -377.742 64.8113 -272.368 184.199 PRESSAVG: 2482200 -23.4947 -2.05845 12.4865 -2.05844 51.1803 -28.5572 12.4865 -28.5572 -8.43401 GPRESSAVG: 2482200 -23.201 -3.14057 13.5885 -2.2931 50.691 -28.856 11.4809 -25.9604 -8.27477 TIMING: 2482200 CPU: 7841.79, 0.0031395/step Wall: 7841.79, 0.0031395/step, 2.19573 hours remaining, 235.500000 MB of memory in use. ENERGY: 2482200 3999.7512 20534.8781 14491.2755 251.1006 -203059.1477 2423.6559 0.0000 0.0000 51988.5530 -109369.9334 298.7789 -161358.4864 -109008.8089 298.5996 42.6611 79.2666 763834.3583 6.4172 6.4051 PRESSURE: 2482400 -66.4382 -104.413 91.352 -104.412 -380.172 -108.214 91.3529 -108.213 -207.521 GPRESSURE: 2482400 -20.0353 -96.8022 119.006 0.64338 -369.378 -164.323 -47.7739 -57.8295 -190.218 PRESSAVG: 2482400 -65.5827 -13.7328 -16.2772 -13.7329 64.1993 -30.933 -16.2772 -30.9331 -1.46659 GPRESSAVG: 2482400 -66.4088 -13.859 -17.703 -12.9919 64.0709 -31.7974 -15.3947 -32.63 -1.14192 TIMING: 2482400 CPU: 7842.42, 0.00315257/step Wall: 7842.42, 0.00315257/step, 2.2047 hours remaining, 235.500000 MB of memory in use. ENERGY: 2482400 3979.9726 20422.6561 14530.1818 238.0879 -203425.3280 2581.6693 0.0000 0.0000 52166.0253 -109506.7349 299.7989 -161672.7602 -109136.2829 299.0227 -218.0437 -193.2104 762862.3521 -0.9500 -1.1599 PRESSURE: 2482600 -187.062 -113.094 18.2002 -113.094 10.7258 38.6595 18.2004 38.659 -140.003 GPRESSURE: 2482600 -157.113 19.9631 9.41949 -144.692 88.9157 121.004 19.9117 66.9178 -152.806 PRESSAVG: 2482600 -24.9924 -15.0197 -21.4738 -15.0197 68.8394 27.5527 -21.4739 27.5527 -3.13181 GPRESSAVG: 2482600 -24.4683 -13.5399 -20.2984 -15.4164 67.7922 30.5596 -23.2314 29.8058 -2.51192 TIMING: 2482600 CPU: 7843.05, 0.00314686/step Wall: 7843.05, 0.00314686/step, 2.20053 hours remaining, 235.703125 MB of memory in use. ENERGY: 2482600 3949.1515 20463.1645 14547.5179 241.2930 -203483.2222 2744.8975 0.0000 0.0000 51896.3371 -109640.8607 298.2490 -161537.1979 -109273.8367 298.8049 -105.4465 -73.6677 762456.0345 13.5717 13.6040 PRESSURE: 2482800 34.1859 -97.4679 -148.924 -97.468 -37.9527 -28.6587 -148.924 -28.6612 225.447 GPRESSURE: 2482800 34.7648 -110.554 -164.136 -82.9365 65.0894 12.9729 22.2097 -93.5729 235.476 PRESSAVG: 2482800 -4.04457 10.7259 -15.5767 10.7259 13.8801 9.71602 -15.5767 9.71597 -7.39634 GPRESSAVG: 2482800 -4.62001 9.21128 -16.4321 11.8028 14.8066 8.7305 -14.1133 8.12353 -6.84333 TIMING: 2482800 CPU: 7843.68, 0.00316458/step Wall: 7843.68, 0.00316458/step, 2.21275 hours remaining, 235.703125 MB of memory in use. ENERGY: 2482800 4074.3336 20276.8674 14479.2393 249.5196 -203615.5189 2792.2507 0.0000 0.0000 52090.6593 -109652.6491 299.3657 -161743.3084 -109278.6708 298.3907 73.8933 111.7766 761605.4624 0.8131 1.1144 PRESSURE: 2483000 167.897 -18.0127 -85.3529 -18.012 -10.2076 76.3818 -85.3528 76.3806 155.636 GPRESSURE: 2483000 228.681 -75.5837 -159.583 -165.385 46.8906 70.0153 -41.4482 39.6904 129.709 PRESSAVG: 2483000 45.9313 32.9679 -57.8547 32.968 1.43198 -17.9146 -57.8547 -17.9146 19.8931 GPRESSAVG: 2483000 46.3723 33.8457 -56.5268 32.8326 2.06084 -19.0471 -58.1899 -18.8849 18.3715 TIMING: 2483000 CPU: 7844.31, 0.00316203/step Wall: 7844.31, 0.00316203/step, 2.21079 hours remaining, 235.703125 MB of memory in use. ENERGY: 2483000 3935.0879 20551.6905 14504.3997 257.0625 -203604.9964 2647.1004 0.0000 0.0000 52054.8510 -109654.8044 299.1599 -161709.6553 -109302.8002 298.8650 104.4415 135.0934 761216.3010 22.4188 22.2682 PRESSURE: 2483200 -249.71 210.933 -151.869 210.932 -77.6496 -43.8473 -151.869 -43.8468 129.024 GPRESSURE: 2483200 -212.343 81.2854 -101.909 184.365 0.797407 -71.0402 43.5103 -77.8636 108.189 PRESSAVG: 2483200 12.2171 28.5829 10.3402 28.5829 21.6945 22.2643 10.3403 22.2642 -7.77792 GPRESSAVG: 2483200 12.1327 27.8093 10.5429 26.5617 22.8705 22.4506 13.4612 23.0934 -9.31727 TIMING: 2483200 CPU: 7844.95, 0.00316386/step Wall: 7844.95, 0.00316386/step, 2.21189 hours remaining, 235.714844 MB of memory in use. ENERGY: 2483200 3976.5683 20339.5143 14449.4595 249.8218 -203393.9767 2614.0668 0.0000 0.0000 52079.1597 -109685.3863 299.2996 -161764.5460 -109327.4187 298.6559 -66.1118 -34.4522 761954.2984 8.7112 8.5620 PRESSURE: 2483400 -13.143 17.7495 53.5526 17.7508 -84.7585 -98.7003 53.5514 -98.7003 -25.2698 GPRESSURE: 2483400 50.1585 128.758 -17.3366 69.0293 -40.4899 -39.8538 -28.8778 -23.2491 -22.6047 PRESSAVG: 2483400 39.7953 3.95964 -28.1161 3.95971 -17.9045 -47.3346 -28.1161 -47.3347 -10.3107 GPRESSAVG: 2483400 39.8733 2.94059 -29.9676 7.71387 -19.8764 -46.3984 -31.2345 -46.604 -8.20164 TIMING: 2483400 CPU: 7845.58, 0.00315845/step Wall: 7845.58, 0.00315845/step, 2.20794 hours remaining, 235.714844 MB of memory in use. ENERGY: 2483400 4047.1549 20659.1882 14460.8616 242.4464 -203427.0349 2648.9458 0.0000 0.0000 51716.9068 -109651.5311 297.2178 -161368.4380 -109302.9324 298.3556 -41.0571 -4.3120 760923.6122 3.8600 3.9318 PRESSURE: 2483600 22.8709 67.1975 -189.089 67.1981 -94.7942 -107.372 -189.089 -107.371 467.735 GPRESSURE: 2483600 93.8507 -70.9754 -225.951 34.9791 -35.5768 -88.0691 -119.097 -115.909 403.684 PRESSAVG: 2483600 -11.7547 10.7936 10.3348 10.7937 -8.19411 -59.5044 10.3348 -59.5044 22.03 GPRESSAVG: 2483600 -12.6501 11.414 9.99962 8.69874 -7.05331 -61.9906 11.3019 -59.467 21.6444 TIMING: 2483600 CPU: 7846.21, 0.00315649/step Wall: 7846.21, 0.00315649/step, 2.20639 hours remaining, 235.714844 MB of memory in use. ENERGY: 2483600 4026.1623 20551.8666 14442.8662 227.3812 -203715.6322 2883.9069 0.0000 0.0000 51918.1245 -109665.3245 298.3742 -161583.4489 -109304.4438 298.3181 131.9374 153.9860 761435.8329 0.6937 0.6470 PRESSURE: 2483800 -2.39105 -237.206 446.684 -237.206 60.7389 -143.987 446.684 -143.986 124.566 GPRESSURE: 2483800 -33.5075 -246.637 395.393 -212.038 167.564 -52.9427 301.66 -215.666 133.638 PRESSAVG: 2483800 9.63355 -15.8056 105.055 -15.8056 20.7102 -38.0379 105.055 -38.0378 -4.90893 GPRESSAVG: 2483800 9.1511 -15.7647 105.282 -16.2225 21.9166 -36.4225 105.361 -38.0945 -6.03898 TIMING: 2483800 CPU: 7846.84, 0.00314635/step Wall: 7846.84, 0.00314635/step, 2.19912 hours remaining, 235.714844 MB of memory in use. ENERGY: 2483800 4034.1037 20536.9562 14436.0433 239.8546 -203189.8557 2568.0702 0.0000 0.0000 51744.3186 -109630.5092 297.3753 -161374.8278 -109279.2901 298.5733 60.9714 89.2317 761465.5538 8.4783 8.3429 PRESSURE: 2484000 127.636 -112.425 -262.013 -112.425 37.5202 239.996 -262.014 239.996 142.249 GPRESSURE: 2484000 204.204 -158.067 -192.128 -43.9967 99.5224 249.069 -213.995 137.557 69.7393 PRESSAVG: 2484000 9.7638 3.54692 27.0312 3.54693 -7.22936 -15.1333 27.0312 -15.1334 -31.6025 GPRESSAVG: 2484000 10.0991 4.39302 26.6534 5.73559 -8.13542 -15.3127 26.8807 -14.7034 -31.2831 TIMING: 2484000 CPU: 7847.47, 0.00313686/step Wall: 7847.47, 0.00313686/step, 2.19232 hours remaining, 235.714844 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: 2484000 3900.0607 20530.4724 14388.8006 237.1828 -203600.1463 2915.1670 0.0000 0.0000 51890.6531 -109737.8098 298.2163 -161628.4629 -109380.6543 298.3267 102.4683 124.4886 761152.6088 -9.6894 -9.7731 PRESSURE: 2484200 -202.022 -141.229 -27.6486 -141.228 12.5875 253.901 -27.6486 253.901 -427.089 GPRESSURE: 2484200 -131.124 -113.745 -72.3944 -51.9827 -0.424302 230.66 -186.299 215.873 -386.096 PRESSAVG: 2484200 -10.4745 -25.554 4.58814 -25.554 26.6118 29.5229 4.58816 29.5228 19.9845 GPRESSAVG: 2484200 -10.2965 -26.1732 4.26271 -26.7335 24.7418 30.072 4.60677 30.6257 21.3658 TIMING: 2484200 CPU: 7848.09, 0.00312361/step Wall: 7848.09, 0.00312361/step, 2.18289 hours remaining, 235.714844 MB of memory in use. ENERGY: 2484200 3974.5912 20651.8216 14310.8946 235.4801 -203081.3731 2548.5304 0.0000 0.0000 51881.1835 -109478.8718 298.1619 -161360.0553 -109132.3113 298.7881 -205.5079 -172.5483 761926.0745 12.0406 11.9371 LDB: ============= START OF LOAD BALANCING ============== 7860.62 LDB: ============== END OF LOAD BALANCING =============== 7860.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7860.62 LDB: ============= START OF LOAD BALANCING ============== 7860.94 LDB: Largest compute 7078 load 0.031766 is 16.3% of average load 0.195428 LDB: Average compute 0.004397 is 2.2% of average load 0.195428 LDB: TIME 7860.94 LOAD: AVG 0.195428 MAX 0.2141 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.285 MB LDB: TIME 7860.94 LOAD: AVG 0.195428 MAX 0.2141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.285 MB LDB: TIME 7860.94 LOAD: AVG 0.195428 MAX 0.2141 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.285 MB LDB: ============== END OF LOAD BALANCING =============== 7860.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7860.95 PRESSURE: 2484400 -198.144 -106.631 -197.023 -106.632 -90.254 7.3716 -197.023 7.37116 107.236 GPRESSURE: 2484400 -228.146 -121.799 -134.755 -101.48 -22.5853 80.3652 -216.312 29.3096 155.862 PRESSAVG: 2484400 -39.4495 26.965 -45.1949 26.965 49.6362 -45.1681 -45.1948 -45.1681 -2.30339 GPRESSAVG: 2484400 -38.667 27.332 -43.1694 28.3411 49.6197 -44.6922 -45.253 -47.338 -3.63783 TIMING: 2484400 CPU: 7848.73, 0.00320744/step Wall: 7848.73, 0.00320744/step, 2.24129 hours remaining, 235.386719 MB of memory in use. ENERGY: 2484400 3973.4905 20472.1668 14483.0814 241.4600 -203378.6262 2606.9270 0.0000 0.0000 51990.6865 -109610.8141 298.7912 -161601.5005 -109249.7250 298.6300 -60.3874 -31.6231 760786.4694 2.6278 2.4383 PRESSURE: 2484600 -10.0309 141.988 -241.654 141.988 -253.438 12.0471 -241.653 12.047 385.417 GPRESSURE: 2484600 -116.889 171.651 -226.261 178.837 -87.4795 -119.089 -92.6011 75.4048 400.549 PRESSAVG: 2484600 -43.122 -8.96195 7.44559 -8.96194 22.4865 -3.7993 7.44558 -3.79928 14.5408 GPRESSAVG: 2484600 -44.0814 -7.69614 6.58637 -10.2705 24.3777 -5.35943 9.1622 -0.20552 13.5792 TIMING: 2484600 CPU: 7849.36, 0.00314582/step Wall: 7849.36, 0.00314582/step, 2.19805 hours remaining, 235.792969 MB of memory in use. ENERGY: 2484600 4023.9484 20405.2749 14415.3908 239.3786 -203462.3725 2724.5039 0.0000 0.0000 52000.9464 -109652.9295 298.8502 -161653.8759 -109283.9879 298.7470 40.6496 65.3935 759748.5435 -2.0315 -2.0415 PRESSURE: 2484800 525.99 -99.0112 77.3453 -99.0116 465.353 32.2001 77.3446 32.1996 -69.9579 GPRESSURE: 2484800 613.099 30.9217 -63.5067 -115.884 347.518 -32.7098 52.3463 69.273 17.6781 PRESSAVG: 2484800 42.9948 -10.6822 -0.768281 -10.6823 -44.9243 17.2777 -0.768289 17.2777 -21.1892 GPRESSAVG: 2484800 43.3249 -11.6749 -0.142124 -10.4684 -46.0283 18.7167 -3.7992 14.7915 -20.8014 TIMING: 2484800 CPU: 7849.99, 0.00315779/step Wall: 7849.99, 0.00315779/step, 2.20624 hours remaining, 235.792969 MB of memory in use. ENERGY: 2484800 3987.1346 20541.4072 14468.2409 226.8582 -203919.7400 2935.3466 0.0000 0.0000 52099.7177 -109661.0348 299.4178 -161760.7525 -109292.4450 298.5731 307.1286 326.0981 759192.0462 -7.7062 -7.8349 PRESSURE: 2485000 -488.389 -96.3048 -100.657 -96.3053 -401.674 98.0145 -100.657 98.0153 30.8686 GPRESSURE: 2485000 -430.213 -155.72 -135.379 -114.336 -413.039 -35.445 -110.08 82.6404 60.5995 PRESSAVG: 2485000 -12.5981 -9.77154 -56.1303 -9.77148 -8.23538 -70.434 -56.1302 -70.434 17.4275 GPRESSAVG: 2485000 -13.0535 -9.20419 -57.2355 -9.83014 -8.786 -70.0195 -56.109 -70.3862 18.4662 TIMING: 2485000 CPU: 7850.62, 0.00315007/step Wall: 7850.62, 0.00315007/step, 2.20067 hours remaining, 235.792969 MB of memory in use. ENERGY: 2485000 3909.1873 20441.3763 14430.6716 262.5505 -203116.8327 2499.8459 0.0000 0.0000 52010.4395 -109562.7616 298.9047 -161573.2011 -109199.5812 298.8153 -286.3982 -260.8841 761576.3244 -1.1353 -1.1244 PRESSURE: 2485200 411.587 -79.6233 155.51 -79.6233 159.262 -87.5353 155.51 -87.5359 362.028 GPRESSURE: 2485200 481.049 -104.933 168.043 -59.1661 181.599 -77.6611 180.442 -67.8372 348.361 PRESSAVG: 2485200 -12.1217 -46.3708 19.619 -46.3709 -0.548392 -4.34945 19.619 -4.34945 -4.32805 GPRESSAVG: 2485200 -12.2385 -48.7174 20.5356 -46.2459 0.973477 -3.25765 19.1299 -4.55708 -5.24512 TIMING: 2485200 CPU: 7851.25, 0.00315229/step Wall: 7851.25, 0.00315229/step, 2.20205 hours remaining, 235.792969 MB of memory in use. ENERGY: 2485200 3898.9397 20588.3912 14410.4044 246.1069 -203745.3710 2997.6821 0.0000 0.0000 51917.1045 -109686.7422 298.3683 -161603.8467 -109327.9840 299.3575 310.9589 337.0028 760500.5105 -5.6661 -5.5034 PRESSURE: 2485400 -102.012 158.968 299.725 158.967 181.022 -108.589 299.725 -108.589 187.055 GPRESSURE: 2485400 -49.4389 227.785 223.967 162.829 193.33 -78.7291 114.222 -69.7328 195.074 PRESSAVG: 2485400 42.4107 -46.0106 -34.9635 -46.0106 -40.8429 -30.3338 -34.9635 -30.3338 2.75796 GPRESSAVG: 2485400 43.3138 -44.2833 -35.9036 -46.6801 -41.7306 -32.0556 -33.3598 -29.4954 2.07737 TIMING: 2485400 CPU: 7851.88, 0.00314218/step Wall: 7851.88, 0.00314218/step, 2.19481 hours remaining, 235.792969 MB of memory in use. ENERGY: 2485400 4007.5582 20569.8425 14435.1312 234.8749 -203829.1127 2802.7243 0.0000 0.0000 52107.4443 -109671.5372 299.4622 -161778.9816 -109312.8844 298.7714 88.6885 112.9885 762009.7227 1.4419 1.2202 PRESSURE: 2485600 15.9152 -166.622 24.8678 -166.622 -123.267 48.6897 24.8677 48.6895 -78.1196 GPRESSURE: 2485600 94.8 -79.2223 106.893 -118.653 -159.683 25.6418 -15.2688 -30.0544 -12.8929 PRESSAVG: 2485600 -34.7312 -23.1985 -10.4183 -23.1985 8.00661 -33.1475 -10.4183 -33.1475 -2.10362 GPRESSAVG: 2485600 -35.8995 -22.2698 -9.20332 -23.02 8.51225 -32.2815 -11.5067 -33.5093 -1.42084 TIMING: 2485600 CPU: 7852.51, 0.0031511/step Wall: 7852.51, 0.0031511/step, 2.20087 hours remaining, 235.792969 MB of memory in use. ENERGY: 2485600 3952.7628 20456.3570 14453.7891 235.4274 -203583.9135 2768.1890 0.0000 0.0000 52006.8090 -109710.5793 298.8838 -161717.3883 -109347.3436 298.5582 -61.8238 -25.9254 760267.4462 -9.6094 -9.6027 PRESSURE: 2485800 -55.633 89.9519 77.9877 89.9511 255.461 117.408 77.9877 117.408 -83.9189 GPRESSURE: 2485800 -24.9537 26.3578 71.6722 -53.0998 288.098 103.707 68.797 192.282 -45.7096 PRESSAVG: 2485800 24.0188 -24.0059 22.5445 -24.0061 -13.7877 21.818 22.5446 21.818 21.3926 GPRESSAVG: 2485800 24.1682 -25.2651 21.3831 -24.2686 -12.7373 21.4593 21.5707 21.4918 20.3319 TIMING: 2485800 CPU: 7853.15, 0.0031715/step Wall: 7853.15, 0.0031715/step, 2.21494 hours remaining, 235.792969 MB of memory in use. ENERGY: 2485800 3984.5658 20370.1931 14449.0119 259.7807 -203309.3425 2673.3968 0.0000 0.0000 51895.4244 -109676.9698 298.2437 -161572.3942 -109311.3385 298.3209 38.6363 72.4784 762009.0403 10.5412 10.5876 PRESSURE: 2486000 111.569 20.8561 -180.19 20.8556 -137.177 86.6617 -180.191 86.6627 19.0672 GPRESSURE: 2486000 132.434 57.6387 -145.403 106.781 -75.3982 86.5359 -94.4054 -14.5712 34.7823 PRESSAVG: 2486000 -76.5719 -19.2873 -7.17622 -19.2873 54.4271 16.5786 -7.17623 16.5787 -12.2362 GPRESSAVG: 2486000 -75.6154 -16.8767 -6.68559 -19.0605 53.0767 16.1224 -4.39406 16.1767 -11.3347 TIMING: 2486000 CPU: 7853.78, 0.00314812/step Wall: 7853.78, 0.00314812/step, 2.19844 hours remaining, 235.792969 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: 2486000 3900.1114 20465.1165 14473.9017 220.4335 -203062.1513 2495.9736 0.0000 0.0000 51981.0385 -109525.5762 298.7357 -161506.6147 -109162.4159 298.4816 -2.1805 30.6060 762443.3585 -11.4603 -11.2911 PRESSURE: 2486200 -231.524 -170.15 174.031 -170.15 -188.242 29.9842 174.032 29.9848 51.089 GPRESSURE: 2486200 -150.698 -141.937 121.023 -266.855 -172.803 22.3164 38.1914 -40.1903 29.3613 PRESSAVG: 2486200 46.544 -49.6755 47.9884 -49.6755 9.56391 -35.7366 47.9884 -35.7367 1.91736 GPRESSAVG: 2486200 46.2336 -50.6178 47.2621 -48.5204 9.53249 -35.1506 47.0589 -35.0782 2.78076 TIMING: 2486200 CPU: 7854.4, 0.00313407/step Wall: 7854.4, 0.00313407/step, 2.18845 hours remaining, 235.792969 MB of memory in use. ENERGY: 2486200 3915.6342 20605.3941 14390.1112 228.5945 -203344.3131 2686.2703 0.0000 0.0000 52165.7157 -109352.5931 299.7971 -161518.3088 -108991.1999 299.2377 -122.8923 -98.0466 761967.3647 19.3418 19.5156 PRESSURE: 2486400 116.466 -48.6745 -196.775 -48.6746 11.0853 -223.024 -196.774 -223.025 -49.8817 GPRESSURE: 2486400 205.737 -86.7649 -139.685 -81.8185 91.3219 -174.275 -284.532 -160.767 -153.341 PRESSAVG: 2486400 -10.3706 -49.7657 15.2423 -49.7657 -7.28644 3.01718 15.2423 3.01718 14.5412 GPRESSAVG: 2486400 -9.82555 -49.4899 16.4327 -51.9383 -6.20831 2.66215 13.6525 2.01159 13.04 TIMING: 2486400 CPU: 7855.03, 0.00314049/step Wall: 7855.03, 0.00314049/step, 2.19276 hours remaining, 235.792969 MB of memory in use. ENERGY: 2486400 3967.7246 20704.0074 14444.3637 263.1188 -203383.4310 2650.5356 0.0000 0.0000 52154.1340 -109199.5470 299.7305 -161353.6810 -108844.3819 299.7218 25.8898 47.9061 761979.3651 -1.0386 -0.9979 PRESSURE: 2486600 219.082 -76.4026 109.36 -76.4031 95.0229 21.7229 109.36 21.7235 669.624 GPRESSURE: 2486600 153.501 -29.6861 135.515 -77.5684 230.762 -30.8716 122.535 111.319 691.214 PRESSAVG: 2486600 34.1025 -19.3578 38.4415 -19.3578 -9.4739 61.411 38.4415 61.4111 12.1784 GPRESSAVG: 2486600 33.4283 -19.6755 40.1283 -16.0148 -9.79551 61.7151 38.2885 63.1482 12.8547 TIMING: 2486600 CPU: 7855.66, 0.00313525/step Wall: 7855.66, 0.00313525/step, 2.18893 hours remaining, 235.792969 MB of memory in use. ENERGY: 2486600 3946.4602 20489.3840 14456.3667 240.6356 -203335.1895 2783.8960 0.0000 0.0000 52194.7189 -109223.7281 299.9638 -161418.4470 -108859.3300 300.1412 327.9097 358.4926 761004.7613 12.2690 12.1625 PRESSURE: 2486800 56.1324 -99.9111 13.9304 -99.9117 -515.488 41.0144 13.9297 41.0146 3.93797 GPRESSURE: 2486800 14.3047 -52.4501 -41.4737 -92.0559 -371.983 -62.5474 -16.5071 -42.4814 2.12365 PRESSAVG: 2486800 24.9017 -3.29425 25.7039 -3.29424 -35.4176 -37.4094 25.7039 -37.4094 -5.45305 GPRESSAVG: 2486800 25.74 -5.9495 24.2708 -4.57955 -36.2558 -38.4721 28.2855 -38.5389 -5.48555 TIMING: 2486800 CPU: 7856.29, 0.0031395/step Wall: 7856.29, 0.0031395/step, 2.19172 hours remaining, 235.792969 MB of memory in use. ENERGY: 2486800 3957.5486 20569.6650 14396.0231 237.1476 -203226.7148 2584.4489 0.0000 0.0000 52219.7411 -109262.1405 300.1076 -161481.8816 -108895.7598 299.8939 -151.8058 -118.5182 761896.2024 -5.3230 -5.3338 PRESSURE: 2487000 11.5861 -89.3949 -312.563 -89.3963 -364.601 9.07533 -312.562 9.07474 -197.007 GPRESSURE: 2487000 -12.2627 -50.9593 -259.939 28.9336 -283.78 5.24561 -365.539 8.04638 -168.343 PRESSAVG: 2487000 8.70192 -75.2189 5.33736 -75.2188 -30.8455 3.18643 5.3374 3.18643 10.817 GPRESSAVG: 2487000 8.39132 -73.1366 6.09247 -74.4509 -30.4115 5.2836 3.06782 2.21322 11.283 TIMING: 2487000 CPU: 7856.91, 0.00314197/step Wall: 7856.91, 0.00314197/step, 2.19327 hours remaining, 235.859375 MB of memory in use. ENERGY: 2487000 4035.7918 20613.6601 14464.1705 261.7913 -202991.8799 2472.9171 0.0000 0.0000 51903.2040 -109240.3450 298.2884 -161143.5490 -108885.7397 299.7350 -183.3405 -154.7952 760803.6688 -3.7755 -3.5790 PRESSURE: 2487200 -221.689 -200.024 162.509 -200.024 -217.491 -91.6728 162.51 -91.6725 -444.578 GPRESSURE: 2487200 -110.861 -123.419 53.2815 -165.396 -233.195 -35.2495 105.281 -74.0532 -435.178 PRESSAVG: 2487200 35.3012 -25.4568 -49.351 -25.4568 -44.8974 9.88049 -49.3509 9.88054 19.1193 GPRESSAVG: 2487200 34.1375 -26.1251 -50.1544 -25.3724 -44.1854 9.73323 -48.6344 10.7377 18.8077 TIMING: 2487200 CPU: 7857.54, 0.00314622/step Wall: 7857.54, 0.00314622/step, 2.19606 hours remaining, 235.859375 MB of memory in use. ENERGY: 2487200 3958.3462 20543.7359 14510.3049 264.8052 -202860.0797 2458.2896 0.0000 0.0000 51961.0574 -109163.5405 298.6209 -161124.5978 -108802.6558 299.7726 -294.5857 -259.7447 762128.5997 3.1744 2.9199 PRESSURE: 2487400 113.334 -47.6453 -100.829 -47.6452 -223.097 11.5857 -100.829 11.5858 -71.0571 GPRESSURE: 2487400 147.439 -28.3399 -66.4593 -149.755 -219.205 -12.4939 -165.501 -39.6369 -30.3203 PRESSAVG: 2487400 53.4818 -38.2405 -2.97377 -38.2405 -57.145 -2.53304 -2.97375 -2.53307 10.86 GPRESSAVG: 2487400 55.0821 -38.1168 -2.00934 -36.557 -59.4191 -3.83436 -3.60078 -4.05491 10.9523 TIMING: 2487400 CPU: 7858.18, 0.00315961/step Wall: 7858.18, 0.00315961/step, 2.20523 hours remaining, 235.859375 MB of memory in use. ENERGY: 2487400 4057.1243 20518.6687 14455.9135 235.9985 -203288.7273 2728.6992 0.0000 0.0000 52189.3820 -109102.9411 299.9331 -161292.3232 -108744.5522 299.4912 -60.2734 -34.0288 761799.2009 2.3990 2.2051 PRESSURE: 2487600 150.76 210.279 95.2029 210.278 127.048 89.9121 95.2027 89.9119 278.35 GPRESSURE: 2487600 137.674 172.662 54.9097 147.083 314.635 85.6926 37.4219 150.874 205.545 PRESSAVG: 2487600 73.6366 10.1507 -3.49668 10.1507 -22.3371 -27.7516 -3.49669 -27.7516 26.0707 GPRESSAVG: 2487600 71.6508 9.57334 -4.54659 8.95954 -20.405 -27.6837 -3.56555 -26.6836 25.8203 TIMING: 2487600 CPU: 7858.81, 0.00314711/step Wall: 7858.81, 0.00314711/step, 2.19633 hours remaining, 235.859375 MB of memory in use. ENERGY: 2487600 4041.7226 20462.1304 14439.8947 255.7813 -203215.1585 2821.8755 0.0000 0.0000 52217.0023 -108976.7517 300.0918 -161193.7540 -108617.5726 299.8981 185.3860 219.2849 761953.0341 25.7901 25.6887 PRESSURE: 2487800 86.7974 119.225 136.035 119.226 53.2302 124.162 136.035 124.162 27.9847 GPRESSURE: 2487800 167.816 144.316 103.791 117.714 68.6628 100.225 245.25 108.545 -1.69283 PRESSAVG: 2487800 40.1732 0.380533 -3.35855 0.380573 3.41634 -32.3485 -3.35855 -32.3485 22.496 GPRESSAVG: 2487800 40.9577 -1.39537 -2.55829 -1.24694 2.97082 -32.2558 -3.03985 -32.6112 22.302 TIMING: 2487800 CPU: 7859.43, 0.00313327/step Wall: 7859.43, 0.00313327/step, 2.1865 hours remaining, 235.859375 MB of memory in use. ENERGY: 2487800 4045.8558 20496.7003 14480.6777 248.1442 -202888.9808 2468.8962 0.0000 0.0000 52179.9582 -108968.7485 299.8789 -161148.7067 -108607.2331 300.2191 56.0041 78.2620 760905.2654 22.0285 22.0768 PRESSURE: 2488000 -99.2153 -1.53863 -75.3223 -1.53852 -79.5511 64.8238 -75.3225 64.8237 -130.502 GPRESSURE: 2488000 14.2171 -51.9129 -87.9311 57.4767 -85.9225 156.092 40.2618 102.875 -132.344 PRESSAVG: 2488000 86.8716 20.1696 -8.99129 20.1696 -77.6288 -26.1158 -8.99132 -26.1157 -1.4666 GPRESSAVG: 2488000 86.7493 19.7112 -9.87658 23.3258 -78.8428 -27.8806 -5.04092 -24.2349 0.230733 TIMING: 2488000 CPU: 7860.06, 0.00315389/step Wall: 7860.06, 0.00315389/step, 2.20072 hours remaining, 235.859375 MB of memory 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 4044.7046 20466.9002 14432.1205 251.0125 -203125.2217 2677.8416 0.0000 0.0000 52584.7642 -108667.8780 302.2054 -161252.6423 -108304.8520 300.5909 -103.0895 -68.0164 763932.1719 2.5921 2.7124 PRESSURE: 2488200 -147.644 118.859 35.2803 118.859 -101.958 112.564 35.28 112.564 -20.6096 GPRESSURE: 2488200 -101.169 158.956 132.759 287.837 -70.9597 181.333 104.432 0.342084 -9.78141 PRESSAVG: 2488200 42.8487 18.6066 -0.982285 18.6066 -71.0434 8.91907 -0.982301 8.91901 -24.1955 GPRESSAVG: 2488200 43.776 20.5029 0.50783 17.4315 -69.9434 10.5125 -3.7156 6.31465 -26.0031 TIMING: 2488200 CPU: 7860.69, 0.00316036/step Wall: 7860.69, 0.00316036/step, 2.20505 hours remaining, 235.859375 MB of memory in use. ENERGY: 2488200 3977.8609 20488.3232 14405.7854 269.2219 -202881.1816 2649.4545 0.0000 0.0000 52331.3071 -108759.2286 300.7487 -161090.5357 -108392.8705 300.5755 -90.0704 -60.6367 763587.8457 -17.4634 -17.3902 LDB: ============= START OF LOAD BALANCING ============== 7873.23 LDB: ============== END OF LOAD BALANCING =============== 7873.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7873.23 LDB: ============= START OF LOAD BALANCING ============== 7873.55 LDB: Largest compute 7056 load 0.030587 is 15.6% of average load 0.195518 LDB: Average compute 0.004375 is 2.2% of average load 0.195518 LDB: TIME 7873.55 LOAD: AVG 0.195518 MAX 0.210813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 7873.55 LOAD: AVG 0.195518 MAX 0.210813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: TIME 7873.55 LOAD: AVG 0.195518 MAX 0.210813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: ============== END OF LOAD BALANCING =============== 7873.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7873.56 PRESSURE: 2488400 190.435 67.9985 176.082 67.9995 -171.123 39.0854 176.083 39.0872 14.4719 GPRESSURE: 2488400 159.174 68.0815 218.452 -49.6487 -50.5714 -25.3546 82.9323 5.82553 23.2658 PRESSAVG: 2488400 66.0983 13.6274 -42.3193 13.6274 -32.352 -14.6177 -42.3194 -14.6176 -12.1869 GPRESSAVG: 2488400 66.4901 13.5392 -42.5438 13.2348 -33.2951 -15.3372 -41.374 -13.4635 -12.1154 TIMING: 2488400 CPU: 7861.34, 0.00322646/step Wall: 7861.34, 0.00322646/step, 2.25099 hours remaining, 237.183594 MB of memory in use. ENERGY: 2488400 4008.9780 20616.0192 14495.4839 266.2776 -203101.3297 2615.0299 0.0000 0.0000 52196.3355 -108903.2055 299.9731 -161099.5410 -108543.9383 300.2932 11.2613 43.9562 762249.4375 7.1865 7.0265 PRESSURE: 2488600 178.426 96.3632 67.5254 96.3629 51.3481 85.4001 67.5258 85.4001 -3.29517 GPRESSURE: 2488600 229.092 89.862 -17.8555 114.52 60.0035 44.1141 34.4012 64.8217 30.0415 PRESSAVG: 2488600 17.9723 -8.95697 32.5287 -8.95696 -31.4085 -34.0537 32.5287 -34.0538 -23.0108 GPRESSAVG: 2488600 15.8645 -8.24619 32.8574 -8.64291 -30.8512 -33.9486 30.8998 -31.5568 -21.8862 TIMING: 2488600 CPU: 7861.97, 0.00316328/step Wall: 7861.97, 0.00316328/step, 2.20674 hours remaining, 237.386719 MB of memory in use. ENERGY: 2488600 3992.9808 20623.3860 14430.8575 245.4324 -203724.1939 2900.0335 0.0000 0.0000 52356.3932 -109175.1106 300.8929 -161531.5038 -108827.4834 299.8879 75.4930 106.3792 760616.8481 -12.1490 -12.2910 PRESSURE: 2488800 -219.447 -102.886 -66.9155 -102.886 -85.1896 38.4277 -66.9156 38.4286 158.995 GPRESSURE: 2488800 -201.315 -95.6212 -8.65557 -64.7621 -58.9304 -18.3926 -34.617 -63.1116 212.42 PRESSAVG: 2488800 41.9785 35.5198 43.9955 35.5198 -69.4611 27.9606 43.9955 27.9606 0.537369 GPRESSAVG: 2488800 41.8364 33.759 44.5883 37.3526 -68.2402 29.5159 43.0528 23.8255 -0.439832 TIMING: 2488800 CPU: 7862.6, 0.00315586/step Wall: 7862.6, 0.00315586/step, 2.20139 hours remaining, 237.589844 MB of memory in use. ENERGY: 2488800 4019.2492 20594.9245 14442.5319 250.9289 -203187.3711 2605.8261 0.0000 0.0000 51981.7419 -109292.1685 298.7398 -161273.9104 -108931.8760 299.3553 -48.5472 -15.9421 762420.8145 -8.9818 -8.9479 PRESSURE: 2489000 19.0021 138.444 103.102 138.444 -164.856 -49.6683 103.102 -49.668 -337.865 GPRESSURE: 2489000 91.0454 205.517 78.8516 106.94 -158.848 59.1804 5.26986 -61.9629 -330.938 PRESSAVG: 2489000 54.3518 -48.6011 -2.62416 -48.6011 -25.0455 -9.42188 -2.6242 -9.42193 -37.0456 GPRESSAVG: 2489000 53.8581 -47.8127 -4.16209 -50.2518 -26.0909 -9.21612 0.346074 -8.89238 -35.5937 TIMING: 2489000 CPU: 7863.23, 0.00314026/step Wall: 7863.23, 0.00314026/step, 2.19033 hours remaining, 237.589844 MB of memory in use. ENERGY: 2489000 4013.6823 20580.7903 14360.2880 252.1161 -203298.9600 2722.3124 0.0000 0.0000 52437.2391 -108932.5319 301.3575 -161369.7710 -108560.3162 300.0012 -161.2393 -132.9137 762539.9864 -2.5798 -2.6088 PRESSURE: 2489200 60.1499 -253.363 124.42 -253.363 -152.567 -149.018 124.419 -149.017 181.723 GPRESSURE: 2489200 159.38 -134.03 167.088 -174.089 -88.6056 -180.349 36.5277 -150.987 101.498 PRESSAVG: 2489200 -16.835 -35.3895 45.1529 -35.3896 5.95039 -22.6168 45.1529 -22.6167 14.2416 GPRESSAVG: 2489200 -15.8305 -33.5593 45.8869 -35.4286 5.67733 -24.3713 43.7108 -21.6879 13.4369 TIMING: 2489200 CPU: 7863.86, 0.00314591/step Wall: 7863.86, 0.00314591/step, 2.1941 hours remaining, 237.589844 MB of memory in use. ENERGY: 2489200 3979.6063 20507.7949 14456.0283 253.4103 -203632.2370 2920.3326 0.0000 0.0000 52303.8452 -109211.2196 300.5909 -161515.0648 -108851.0815 299.6768 29.7685 57.4241 761600.3695 1.1190 1.0946 PRESSURE: 2489400 -83.9132 -203.345 75.1822 -203.345 81.7167 -116.782 75.1836 -116.781 61.9186 GPRESSURE: 2489400 -50.6021 -298.798 118.724 -138.662 41.4746 -134.957 25.1051 -109.351 145.56 PRESSAVG: 2489400 39.5858 -19.1201 -0.455107 -19.1201 -23.9764 -34.9122 -0.455114 -34.9122 2.41261 GPRESSAVG: 2489400 38.9116 -21.0797 -0.112133 -17.5785 -23.4038 -34.2997 -1.03468 -35.1963 2.28869 TIMING: 2489400 CPU: 7864.49, 0.00315399/step Wall: 7864.49, 0.00315399/step, 2.19956 hours remaining, 237.589844 MB of memory in use. ENERGY: 2489400 3939.2577 20615.3330 14484.8822 262.9704 -203417.0047 2648.2233 0.0000 0.0000 51952.9256 -109513.4125 298.5742 -161466.3381 -109155.4578 299.0610 19.9074 45.4774 761580.5938 6.0073 5.9322 PRESSURE: 2489600 334.752 45.353 -35.2302 45.3537 337.605 -229.787 -35.2304 -229.788 289.95 GPRESSURE: 2489600 380.28 56.8494 -97.0709 -63.7716 323.552 -198.7 -4.27896 -130.449 329.913 PRESSAVG: 2489600 -13.3602 9.07609 51.4948 9.07615 4.91319 -59.7637 51.4949 -59.7636 -13.0859 GPRESSAVG: 2489600 -12.9826 8.74607 49.8187 5.52319 4.2494 -59.9133 55.2818 -58.5924 -12.688 TIMING: 2489600 CPU: 7865.12, 0.00314791/step Wall: 7865.12, 0.00314791/step, 2.19514 hours remaining, 237.589844 MB of memory in use. ENERGY: 2489600 3948.3969 20514.2065 14373.8828 230.6932 -203684.3843 2950.3604 0.0000 0.0000 52144.5710 -109522.2734 299.6756 -161666.8445 -109168.7243 298.5505 320.7691 344.5819 761281.0415 -7.1776 -7.1404 PRESSURE: 2489800 -260.942 78.053 201.408 78.0537 281.71 190.359 201.41 190.359 206.829 GPRESSURE: 2489800 -179.434 32.817 244.659 133.927 284.017 119.423 99.7631 122.006 211.407 PRESSAVG: 2489800 12.7578 -76.2671 3.19904 -76.267 7.92047 -24.9707 3.19908 -24.9708 -8.0384 GPRESSAVG: 2489800 14.8278 -76.0649 3.26683 -73.0661 7.16474 -25.1844 0.0560379 -24.5533 -9.66044 TIMING: 2489800 CPU: 7865.75, 0.00314508/step Wall: 7865.75, 0.00314508/step, 2.19299 hours remaining, 237.578125 MB of memory in use. ENERGY: 2489800 3950.1385 20569.9259 14450.2794 256.0738 -203355.2643 2748.2920 0.0000 0.0000 52101.7680 -109278.7866 299.4296 -161380.5546 -108913.6625 299.1207 75.8654 105.3300 761190.2088 4.2133 4.1107 PRESSURE: 2490000 200.813 -291.877 -98.5281 -291.878 11.0633 201.462 -98.5281 201.461 -128.706 GPRESSURE: 2490000 164.854 -184.431 -46.184 -296.374 116.777 229.664 -129.99 75.5443 -117.194 PRESSAVG: 2490000 -18.0765 -22.7033 11.556 -22.7033 36.9151 33.6328 11.556 33.6329 -3.11887 GPRESSAVG: 2490000 -19.9034 -21.1979 11.6562 -25.2621 39.0267 33.6957 11.2197 34.5535 -3.46849 TIMING: 2490000 CPU: 7866.38, 0.00313765/step Wall: 7866.38, 0.00313765/step, 2.18764 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: 2490000 4041.7039 20511.3201 14392.4507 242.1105 -203781.8265 3039.1418 0.0000 0.0000 52393.7874 -109161.3121 301.1078 -161555.0995 -108799.9469 299.8439 27.7235 54.8124 761662.9775 5.2399 5.2183 PRESSURE: 2490200 95.5599 25.1191 29.3052 25.1195 36.4481 76.8881 29.305 76.8871 244.18 GPRESSURE: 2490200 115.848 72.6241 -3.50203 -19.9453 123.662 53.6393 -13.983 42.3381 222.83 PRESSAVG: 2490200 -17.6707 -33.0255 -23.3261 -33.0255 20.9206 59.7471 -23.3262 59.7471 14.8949 GPRESSAVG: 2490200 -17.7105 -34.376 -24.1175 -31.0448 19.7206 59.4893 -21.2951 58.5445 15.8902 TIMING: 2490200 CPU: 7867.01, 0.00314419/step Wall: 7867.01, 0.00314419/step, 2.19202 hours remaining, 237.578125 MB of memory in use. ENERGY: 2490200 3997.3186 20681.5479 14505.7983 234.6952 -203167.9283 2653.0008 0.0000 0.0000 51922.6741 -109172.8935 298.4003 -161095.5675 -108818.1983 299.2998 125.3959 154.1132 761777.4316 6.0483 5.9668 PRESSURE: 2490400 70.2806 114.816 -106.66 114.816 21.2803 -42.2864 -106.659 -42.2872 -189.613 GPRESSURE: 2490400 53.9658 104.661 -88.2637 62.481 131.472 -40.7322 -37.1693 -71.9899 -215.822 PRESSAVG: 2490400 -92.7274 -10.8025 4.58941 -10.8026 44.4594 28.005 4.58952 28.0049 -1.40079 GPRESSAVG: 2490400 -92.308 -9.60317 6.81432 -11.9512 43.9737 29.2449 2.97468 27.8192 -1.37501 TIMING: 2490400 CPU: 7867.64, 0.00315269/step Wall: 7867.64, 0.00315269/step, 2.19777 hours remaining, 237.589844 MB of memory in use. ENERGY: 2490400 3990.2119 20281.5383 14531.2673 251.9928 -203391.5247 2788.9037 0.0000 0.0000 52202.0187 -109345.5921 300.0057 -161547.6108 -108980.5020 299.3883 -32.6841 -10.1279 761368.6890 -16.5563 -16.5698 PRESSURE: 2490600 -86.0902 91.2192 227.081 91.2189 -322.651 31.9689 227.08 31.9689 -177.223 GPRESSURE: 2490600 -135.642 53.6529 239.47 112.114 -343.338 51.0105 226.357 -12.6819 -45.6916 PRESSAVG: 2490600 -52.961 -2.85393 43.8856 -2.85396 45.6035 -17.5033 43.8855 -17.5033 4.03968 GPRESSAVG: 2490600 -54.2593 -5.48961 42.6294 -3.52293 46.3266 -17.7195 46.6062 -18.4959 4.44672 TIMING: 2490600 CPU: 7868.26, 0.00313743/step Wall: 7868.26, 0.00313743/step, 2.18697 hours remaining, 237.589844 MB of memory in use. ENERGY: 2490600 3951.9359 20631.9281 14413.4444 228.7548 -203249.4277 2719.6716 0.0000 0.0000 52211.9514 -109091.7416 300.0628 -161303.6929 -108731.4365 299.7621 -195.3212 -174.8906 761156.9313 -1.1059 -1.1620 PRESSURE: 2490800 -227.672 -130.788 -61.7131 -130.789 -222.45 -52.6773 -61.7128 -52.6782 -466.824 GPRESSURE: 2490800 -221.043 -102.128 -76.3834 -2.4245 -220.884 -85.0167 -23.2599 54.4117 -373.439 PRESSAVG: 2490800 -22.2238 -7.50295 2.34965 -7.50292 10.4637 27.4606 2.34959 27.4606 14.3118 GPRESSAVG: 2490800 -20.8487 -4.6197 3.59273 -6.45821 10.9647 26.4936 -1.00579 28.649 12.7179 TIMING: 2490800 CPU: 7868.9, 0.0031536/step Wall: 7868.9, 0.0031536/step, 2.19806 hours remaining, 237.589844 MB of memory in use. ENERGY: 2490800 4034.3007 20715.7026 14434.9016 250.2386 -203169.4246 2453.5012 0.0000 0.0000 52008.0967 -109272.6831 298.8912 -161280.7799 -108906.8477 299.2897 -305.6485 -271.7888 761887.6547 0.8506 0.9446 PRESSURE: 2491000 195.935 42.7867 -165.826 42.7861 308.52 -180.783 -165.826 -180.784 -87.9464 GPRESSURE: 2491000 221.284 51.4191 -214.186 45.8414 385.138 -209.265 -258.241 -126.277 -90.611 PRESSAVG: 2491000 -34.8327 -27.1321 7.99951 -27.132 -8.69431 -0.644554 7.99953 -0.644599 -8.39995 GPRESSAVG: 2491000 -34.9705 -27.8908 6.39863 -28.7689 -8.95215 -1.61936 10.2239 -0.574276 -8.04929 TIMING: 2491000 CPU: 7869.53, 0.00315659/step Wall: 7869.53, 0.00315659/step, 2.19997 hours remaining, 237.589844 MB of memory in use. ENERGY: 2491000 4061.1308 20507.8986 14460.5737 251.2688 -203931.3137 3101.7326 0.0000 0.0000 52175.3633 -109373.3460 299.8525 -161548.7093 -109007.4449 299.2579 138.8363 171.9371 760299.6971 -17.3090 -17.3240 PRESSURE: 2491200 75.8874 120.716 -2.0817 120.716 128.072 64.8211 -2.08102 64.8218 293.839 GPRESSURE: 2491200 104.207 -40.6731 -17.6709 97.2145 133.063 73.8532 -42.0877 13.6391 334.636 PRESSAVG: 2491200 -31.9492 -37.5773 -2.01892 -37.5774 -8.88496 -51.164 -2.01891 -51.1639 11.6127 GPRESSAVG: 2491200 -32.7807 -38.9075 -0.925833 -36.6778 -8.43481 -49.4987 -4.56864 -51.4778 11.7223 TIMING: 2491200 CPU: 7870.16, 0.00315973/step Wall: 7870.16, 0.00315973/step, 2.20198 hours remaining, 237.589844 MB of memory in use. ENERGY: 2491200 3966.7540 20588.6424 14416.2603 255.5400 -202853.6454 2135.5606 0.0000 0.0000 51789.8385 -109701.0497 297.6369 -161490.8881 -109338.9187 298.7395 165.9327 190.6355 760435.9004 -9.7405 -9.8311 PRESSURE: 2491400 -145.276 98.9321 70.2327 98.9316 233.675 38.3295 70.2326 38.33 74.3743 GPRESSURE: 2491400 -48.2257 239.56 142.013 112.551 164.569 -49.8023 174.726 -36.5561 122.004 PRESSAVG: 2491400 -64.2937 -25.085 13.8988 -25.0851 40.7408 -25.2343 13.8989 -25.2343 -7.95681 GPRESSAVG: 2491400 -63.6005 -24.2927 14.4936 -25.6158 39.4599 -27.0958 14.9186 -24.8949 -7.36577 TIMING: 2491400 CPU: 7870.79, 0.00314569/step Wall: 7870.79, 0.00314569/step, 2.19202 hours remaining, 237.589844 MB of memory in use. ENERGY: 2491400 3999.9268 20587.3883 14367.2206 247.3016 -203420.9634 2816.7625 0.0000 0.0000 51764.5741 -109637.7896 297.4917 -161402.3637 -109271.2953 298.4119 54.2578 79.4492 761131.7746 -10.5032 -10.5021 PRESSURE: 2491600 -384.43 203.293 65.2289 203.293 -308.201 63.764 65.2295 63.7636 28.848 GPRESSURE: 2491600 -330.91 32.0762 36.0849 177.948 -217.809 2.02686 -56.9739 86.8751 -17.962 PRESSAVG: 2491600 7.10765 15.6493 14.4975 15.6492 -4.03572 -3.77545 14.4975 -3.77538 -7.9206 GPRESSAVG: 2491600 5.86937 15.2567 11.2978 15.8708 -2.25456 -2.58399 13.8966 -4.0902 -7.74596 TIMING: 2491600 CPU: 7871.42, 0.00315122/step Wall: 7871.42, 0.00315122/step, 2.1957 hours remaining, 237.589844 MB of memory in use. ENERGY: 2491600 3998.1042 20288.2681 14448.1135 246.7850 -202883.9815 2332.2327 0.0000 0.0000 51870.8058 -109699.6721 298.1022 -161570.4779 -109326.4865 298.5267 -221.2610 -188.8937 760986.5486 -1.6162 -1.3770 PRESSURE: 2491800 -140.014 118.081 -49.9893 118.082 6.33932 -20.064 -49.9889 -20.0647 -167.381 GPRESSURE: 2491800 -165.842 42.4059 -13.8484 175.74 101.499 -110.733 47.1981 -65.571 -153.623 PRESSAVG: 2491800 23.1092 7.32039 -14.4517 7.32037 16.5877 21.0308 -14.4518 21.0309 0.915312 GPRESSAVG: 2491800 24.2822 9.7588 -11.4667 7.68168 16.0781 22.7095 -12.395 21.2457 0.115725 TIMING: 2491800 CPU: 7872.05, 0.0031714/step Wall: 7872.05, 0.0031714/step, 2.20958 hours remaining, 237.589844 MB of memory in use. ENERGY: 2491800 3959.1923 20650.8463 14487.3559 264.8295 -203648.2280 2536.1826 0.0000 0.0000 52127.8089 -109622.0123 299.5792 -161749.8213 -109266.1090 298.7876 -100.3522 -72.6553 759912.8927 13.5374 13.4920 PRESSURE: 2492000 21.9807 108.882 -107.563 108.882 71.5492 150.972 -107.564 150.97 -22.608 GPRESSURE: 2492000 76.3335 -36.1232 -126.99 48.8928 57.463 29.3229 56.6675 220.372 10.3161 PRESSAVG: 2492000 -18.605 17.3882 59.8999 17.3881 25.8044 22.8812 59.8999 22.8811 0.917918 GPRESSAVG: 2492000 -19.1934 15.1587 58.5512 15.1122 25.5672 21.7031 58.2698 20.7879 1.13668 TIMING: 2492000 CPU: 7872.68, 0.00315604/step Wall: 7872.68, 0.00315604/step, 2.19871 hours remaining, 237.589844 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: 2492000 3895.7624 20502.6900 14461.5482 256.2975 -203502.4678 2876.2340 0.0000 0.0000 51956.7839 -109553.1518 298.5964 -161509.9356 -109193.2451 298.9097 23.6406 48.0375 761528.8146 2.7058 2.5035 PRESSURE: 2492200 45.2138 -297.163 271.347 -297.162 268.66 105.54 271.347 105.54 67.7104 GPRESSURE: 2492200 102.484 -223.482 261.986 -182.62 271.546 -27.6511 131.381 296.175 90.09 PRESSAVG: 2492200 27.4109 -14.9212 5.29768 -14.9212 23.8414 21.2005 5.29767 21.2005 -4.11567 GPRESSAVG: 2492200 26.8051 -15.0009 7.19813 -13.7728 23.6497 20.5584 3.06448 25.3504 -3.33862 TIMING: 2492200 CPU: 7873.31, 0.00314841/step Wall: 7873.31, 0.00314841/step, 2.19322 hours remaining, 237.589844 MB of memory in use. ENERGY: 2492200 3948.8004 20588.7503 14388.8496 233.1579 -203563.0955 2886.3726 0.0000 0.0000 51963.9907 -109553.1739 298.6378 -161517.1646 -109189.3265 298.7382 127.1949 154.7065 761313.0914 15.7122 15.7054 LDB: ============= START OF LOAD BALANCING ============== 7885.85 LDB: ============== END OF LOAD BALANCING =============== 7885.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7885.85 LDB: ============= START OF LOAD BALANCING ============== 7886.16 LDB: Largest compute 7031 load 0.030508 is 15.6% of average load 0.195558 LDB: Average compute 0.004376 is 2.2% of average load 0.195558 LDB: TIME 7886.17 LOAD: AVG 0.195558 MAX 0.216658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.098 MB LDB: TIME 7886.17 LOAD: AVG 0.195558 MAX 0.216658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.098 MB LDB: TIME 7886.17 LOAD: AVG 0.195558 MAX 0.216658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.098 MB LDB: ============== END OF LOAD BALANCING =============== 7886.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7886.17 PRESSURE: 2492400 180.059 146.126 -56.4729 146.126 520.522 -218.58 -56.4731 -218.581 -45.4067 GPRESSURE: 2492400 189.598 100.826 -166.3 83.4353 522.989 -202.921 -132.883 -259.843 22.6185 PRESSAVG: 2492400 -55.5722 -41.2465 8.58536 -41.2465 41.1553 6.01963 8.5854 6.01956 -13.2624 GPRESSAVG: 2492400 -54.5567 -41.2659 9.35829 -40.3251 41.2028 6.29762 9.8314 2.53819 -14.1844 TIMING: 2492400 CPU: 7873.96, 0.0032207/step Wall: 7873.96, 0.0032207/step, 2.24339 hours remaining, 235.644531 MB of memory in use. ENERGY: 2492400 3978.2908 20599.0063 14419.2440 252.8775 -203727.6399 3005.9015 0.0000 0.0000 51880.5580 -109591.7618 298.1583 -161472.3198 -109238.9437 298.8878 218.3915 245.0686 762307.9140 -9.2264 -9.1794 PRESSURE: 2492600 30.1603 -309.912 94.7347 -309.913 -135.937 -7.17184 94.7347 -7.17221 66.6074 GPRESSURE: 2492600 147.675 -304.411 125.22 -248.324 -149.494 26.4098 71.0436 -70.7289 33.8219 PRESSAVG: 2492600 73.5334 -45.8938 29.1363 -45.8938 -63.3855 66.3285 29.1363 66.3285 7.87677 GPRESSAVG: 2492600 74.2682 -45.2382 27.4907 -47.9683 -63.5863 67.5725 31.2429 67.6541 7.01812 TIMING: 2492600 CPU: 7874.59, 0.00314629/step Wall: 7874.59, 0.00314629/step, 2.19139 hours remaining, 235.644531 MB of memory in use. ENERGY: 2492600 4002.9388 20600.1469 14432.7906 254.5975 -203374.1514 2764.5341 0.0000 0.0000 51914.8363 -109404.3073 298.3553 -161319.1435 -109042.8138 299.0491 -13.0563 10.6677 762638.3582 6.0082 5.9000 PRESSURE: 2492800 325.889 -84.4567 307.53 -84.4571 504.931 167.225 307.53 167.226 93.766 GPRESSURE: 2492800 285.383 -173.201 282.906 -56.8379 554.05 185.007 356.632 176.797 168.743 PRESSAVG: 2492800 58.2763 -26.1435 -38.1137 -26.1435 -37.0424 67.1848 -38.1137 67.1847 -4.36701 GPRESSAVG: 2492800 56.7672 -25.3617 -37.8213 -27.4754 -37.1435 66.1107 -38.3865 65.9185 -2.75089 TIMING: 2492800 CPU: 7875.22, 0.0031523/step Wall: 7875.22, 0.0031523/step, 2.1954 hours remaining, 235.644531 MB of memory in use. ENERGY: 2492800 3927.8109 20505.1968 14510.0575 271.5510 -203430.5136 2981.4018 0.0000 0.0000 52029.5743 -109204.9214 299.0147 -161234.4956 -108839.5479 298.9102 308.1956 336.0587 762433.8570 5.6223 5.6243 PRESSURE: 2493000 12.7276 19.0838 203.536 19.0833 -47.2789 -74.7334 203.537 -74.7332 43.5232 GPRESSURE: 2493000 -62.2105 30.309 173.858 77.8153 98.7993 -81.7582 200.38 -29.1232 61.5958 PRESSAVG: 2493000 15.8935 -36.2056 5.77207 -36.2056 -12.4654 45.4584 5.77208 45.4584 -5.68163 GPRESSAVG: 2493000 16.4434 -34.8696 5.98856 -32.9563 -11.7864 45.6048 6.447 45.0305 -6.23046 TIMING: 2493000 CPU: 7875.85, 0.00315288/step Wall: 7875.85, 0.00315288/step, 2.19563 hours remaining, 235.644531 MB of memory in use. ENERGY: 2493000 3985.4240 20363.8195 14459.2808 249.3900 -203176.5486 2791.5010 0.0000 0.0000 51907.1346 -109419.9987 298.3110 -161327.1333 -109056.8317 299.2512 2.9907 32.7282 761942.4429 -0.7512 -0.5245 PRESSURE: 2493200 -13.799 14.3492 24.1705 14.3491 178.268 38.6241 24.1711 38.624 222.227 GPRESSURE: 2493200 53.8817 89.2894 -56.1815 57.8153 115.195 -64.1873 33.4193 78.62 296.366 PRESSAVG: 2493200 24.5629 10.9168 71.0833 10.9168 -18.3145 65.6151 71.0833 65.6152 16.4838 GPRESSAVG: 2493200 23.7987 8.41731 70.3822 9.47662 -18.1299 66.9016 70.1421 66.8583 16.791 TIMING: 2493200 CPU: 7876.48, 0.00315093/step Wall: 7876.48, 0.00315093/step, 2.1941 hours remaining, 235.644531 MB of memory in use. ENERGY: 2493200 3882.2192 20394.5466 14442.0849 261.3598 -203114.9273 2651.9134 0.0000 0.0000 51910.7763 -109572.0271 298.3319 -161482.8033 -109206.5067 298.3633 128.8988 155.1478 761960.9143 7.5774 7.4866 PRESSURE: 2493400 -51.8637 127.614 -148.634 127.614 -54.3279 -203.218 -148.634 -203.219 -136.049 GPRESSURE: 2493400 88.5996 103.735 -80.8411 200.093 -98.5675 -206.952 -195.907 -170.6 -142.654 PRESSAVG: 2493400 3.26725 62.2841 17.733 62.284 -25.5878 -57.3633 17.733 -57.3633 40.2704 GPRESSAVG: 2493400 3.70765 61.6373 19.7734 65.1841 -26.4428 -57.7538 17.2614 -56.8053 40.3645 TIMING: 2493400 CPU: 7877.1, 0.0031346/step Wall: 7877.1, 0.0031346/step, 2.18255 hours remaining, 235.644531 MB of memory in use. ENERGY: 2493400 4027.6255 20588.4535 14409.1368 232.5832 -203460.2981 2797.4895 0.0000 0.0000 51803.5723 -109601.4372 297.7158 -161405.0096 -109238.5076 298.2440 -80.7467 -50.8739 762013.7132 5.9833 5.8764 PRESSURE: 2493600 -91.8977 313.381 246.211 313.381 -106.068 172.612 246.211 172.611 -81.2724 GPRESSURE: 2493600 -94.8117 246.922 270.227 201.438 -86.6769 95.2323 286.71 131.477 -9.30375 PRESSAVG: 2493600 1.38914 31.6291 -18.1392 31.6292 -21.7054 13.9229 -18.1391 13.9229 -11.1961 GPRESSAVG: 2493600 -0.453237 32.3376 -19.7227 29.4835 -20.6411 14.0744 -16.6601 14.1514 -10.3386 TIMING: 2493600 CPU: 7877.74, 0.00315845/step Wall: 7877.74, 0.00315845/step, 2.19898 hours remaining, 235.644531 MB of memory in use. ENERGY: 2493600 3891.2952 20576.4893 14439.5195 243.1888 -203525.5145 2747.3026 0.0000 0.0000 51997.9752 -109629.7439 298.8331 -161627.7191 -109270.1652 298.5236 -93.0793 -63.5974 762226.2688 -10.5041 -10.4776 PRESSURE: 2493800 260.803 -52.5726 -80.6022 -52.5726 534.365 29.8297 -80.6026 29.8298 -55.0852 GPRESSURE: 2493800 223.388 45.3066 6.60366 -110.568 523.662 5.14767 -41.8376 -8.41306 81.0014 PRESSAVG: 2493800 -14.6881 12.7527 -32.0914 12.7528 38.8574 8.44751 -32.0914 8.4476 18.5407 GPRESSAVG: 2493800 -14.6452 12.4217 -31.9477 15.1204 39.5728 9.23967 -33.5595 5.47195 18.2688 TIMING: 2493800 CPU: 7878.37, 0.00314755/step Wall: 7878.37, 0.00314755/step, 2.19122 hours remaining, 235.644531 MB of memory in use. ENERGY: 2493800 3978.8041 20455.1873 14425.0584 251.9158 -203422.9040 2861.4522 0.0000 0.0000 51779.3114 -109671.1748 297.5764 -161450.4862 -109309.1387 298.3285 246.6944 276.0172 761865.3237 14.2367 14.3988 PRESSURE: 2494000 45.2928 -99.6674 3.54389 -99.6673 -19.1139 -93.2857 3.54403 -93.2859 -25.8071 GPRESSURE: 2494000 69.7625 -179.738 -3.27789 -91.7932 12.9932 -86.7656 -59.189 -98.6107 -7.6871 PRESSAVG: 2494000 -43.8308 -18.2193 20.1343 -18.2193 -3.84503 -26.4708 20.1343 -26.4708 12.8934 GPRESSAVG: 2494000 -42.3189 -17.8383 21.2847 -21.8485 -5.00887 -26.1854 19.0369 -26.2572 12.4555 TIMING: 2494000 CPU: 7879, 0.00314894/step Wall: 7879, 0.00314894/step, 2.19201 hours remaining, 235.644531 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: 2494000 3896.6104 20471.5584 14380.3273 241.7586 -203577.4730 2745.9451 0.0000 0.0000 51905.5771 -109935.6961 298.3021 -161841.2732 -109566.2354 298.2502 0.1239 25.0229 760911.9939 -11.5941 -11.6241 PRESSURE: 2494200 286.717 102.854 142.736 102.854 69.8014 55.0641 142.737 55.0652 -281.121 GPRESSURE: 2494200 298.843 119.605 33.5053 -63.3169 129.142 -6.56608 189.699 151.224 -269.855 PRESSAVG: 2494200 -6.57637 -11.6424 49.375 -11.6423 64.838 -13.1631 49.3751 -13.1631 3.20221 GPRESSAVG: 2494200 -5.79621 -9.94501 48.212 -10.9534 64.7499 -15.0199 50.7634 -10.9634 2.81955 TIMING: 2494200 CPU: 7879.63, 0.00315682/step Wall: 7879.63, 0.00315682/step, 2.19732 hours remaining, 235.644531 MB of memory in use. ENERGY: 2494200 3988.0756 20267.6692 14249.6219 237.9849 -203518.9134 2553.4490 0.0000 0.0000 52257.4159 -109964.6969 300.3241 -162222.1128 -109599.0796 298.3420 25.1325 52.7100 760329.1131 20.4880 20.5911 PRESSURE: 2494400 -144.032 63.3636 130.004 63.3634 -333.848 -129.03 130.004 -129.031 -525.848 GPRESSURE: 2494400 -238.558 42.4402 237.206 -36.3844 -194.843 -160.554 167.55 -7.16068 -481.367 PRESSAVG: 2494400 -6.77522 -1.51341 33.4758 -1.51347 -3.05936 71.0718 33.4758 71.0718 -6.71444 GPRESSAVG: 2494400 -7.04606 -2.70587 33.7597 -2.05742 -3.35505 71.4943 33.3449 68.916 -6.59032 TIMING: 2494400 CPU: 7880.26, 0.00315491/step Wall: 7880.26, 0.00315491/step, 2.19582 hours remaining, 235.644531 MB of memory in use. ENERGY: 2494400 3962.0815 20536.0623 14308.0012 260.7090 -202985.2529 2267.5692 0.0000 0.0000 51799.5790 -109851.2507 297.6929 -161650.8297 -109492.8988 297.9079 -334.5763 -304.9228 764447.6535 -5.5163 -5.6638 PRESSURE: 2494600 22.117 207.699 160.187 207.698 -134.58 55.5413 160.187 55.5413 46.685 GPRESSURE: 2494600 77.1023 148.644 160.218 37.5358 -82.2046 135.925 108.676 47.3566 11.4295 PRESSAVG: 2494600 -30.3334 18.6731 9.00426 18.6731 43.1945 25.1509 9.00424 25.151 -4.36841 GPRESSAVG: 2494600 -31.7853 18.6596 9.85344 20.4369 44.0232 25.6951 9.10273 27.2661 -3.79905 TIMING: 2494600 CPU: 7880.89, 0.00316017/step Wall: 7880.89, 0.00316017/step, 2.1993 hours remaining, 235.644531 MB of memory in use. ENERGY: 2494600 3932.5290 20609.0697 14368.3875 252.7779 -203366.5575 2654.3791 0.0000 0.0000 52100.3437 -109449.0706 299.4214 -161549.4143 -109078.2789 298.3653 -21.9260 2.1090 760350.1009 2.8309 2.8130 PRESSURE: 2494800 -284.563 -177.498 152.82 -177.498 -94.9482 12.0291 152.82 12.0281 11.9576 GPRESSURE: 2494800 -198.519 -181.85 73.7031 -121.945 -76.5909 -37.4943 174.99 50.7668 9.93 PRESSAVG: 2494800 21.7557 40.9261 14.5632 40.926 -18.9932 53.2293 14.5632 53.2293 -1.00109 GPRESSAVG: 2494800 23.6482 41.6775 14.7204 40.3405 -18.9201 55.0375 14.2242 52.3152 -2.36908 TIMING: 2494800 CPU: 7881.52, 0.00315908/step Wall: 7881.52, 0.00315908/step, 2.19837 hours remaining, 235.644531 MB of memory in use. ENERGY: 2494800 3872.5847 20407.2928 14334.1199 244.7045 -203472.3928 2833.3840 0.0000 0.0000 52282.4029 -109497.9040 300.4677 -161780.3069 -109123.4900 299.2977 -122.5179 -88.3933 762693.0493 0.5871 0.7863 PRESSURE: 2495000 126.908 57.0352 107.321 57.0349 109.486 114.275 107.32 114.275 -492.439 GPRESSURE: 2495000 105.632 -46.5351 223.57 47.644 149.786 100.623 -33.055 69.5629 -401.476 PRESSAVG: 2495000 34.1922 9.98278 56.6486 9.98276 -12.85 4.93492 56.6486 4.93484 -2.45298 GPRESSAVG: 2495000 34.0518 10.7943 57.6376 10.0064 -13.6431 3.13011 54.5847 7.00109 -1.82553 TIMING: 2495000 CPU: 7882.15, 0.00314928/step Wall: 7882.15, 0.00314928/step, 2.19137 hours remaining, 235.644531 MB of memory in use. ENERGY: 2495000 3975.9615 20451.0462 14390.1252 244.7341 -203440.8739 2607.3950 0.0000 0.0000 52320.8443 -109450.7676 300.6886 -161771.6119 -109084.9673 299.3398 -85.3480 -48.6861 761077.7515 6.2964 6.1944 PRESSURE: 2495200 -291.844 -132.524 -137.641 -132.525 -230.482 -50.5957 -137.641 -50.596 -230.066 GPRESSURE: 2495200 -210.729 -89.3634 -134.814 -129.2 -185.424 -58.3304 -115.939 -27.815 -286.81 PRESSAVG: 2495200 6.28841 -30.7612 -8.55196 -30.7613 16.4054 -27.3697 -8.55199 -27.3697 3.60514 GPRESSAVG: 2495200 5.62223 -32.2658 -9.23276 -28.8092 17.1172 -27.8923 -6.02241 -31.3976 3.78566 TIMING: 2495200 CPU: 7882.78, 0.00316021/step Wall: 7882.78, 0.00316021/step, 2.1988 hours remaining, 235.644531 MB of memory in use. ENERGY: 2495200 3949.0450 20616.2669 14365.5568 218.1279 -203383.6918 2707.5591 0.0000 0.0000 52008.0592 -109519.0769 298.8910 -161527.1361 -109151.2593 299.2438 -250.7974 -227.6543 761160.1542 8.7663 8.8417 PRESSURE: 2495400 332.061 172.878 119.571 172.879 111.717 -73.6202 119.57 -73.6203 180.508 GPRESSURE: 2495400 236.15 142.282 249.613 157.351 241.778 41.3937 -38.1882 -3.48684 222.796 PRESSAVG: 2495400 72.3647 -30.6471 4.46742 -30.6472 -12.0577 -6.52048 4.46743 -6.52046 16.2125 GPRESSAVG: 2495400 72.4173 -29.9691 5.20007 -30.3603 -11.5028 -5.25273 4.88212 -3.75991 15.441 TIMING: 2495400 CPU: 7883.42, 0.00315858/step Wall: 7883.42, 0.00315858/step, 2.19749 hours remaining, 235.644531 MB of memory in use. ENERGY: 2495400 3874.1066 20581.9676 14421.4846 231.7839 -203615.6955 2871.3233 0.0000 0.0000 52238.3671 -109396.6624 300.2146 -161635.0295 -109037.0138 299.3650 208.0952 233.5748 761217.7877 25.5065 25.4519 PRESSURE: 2495600 -260.114 -3.63978 -30.9492 -3.63977 26.7445 -191.496 -30.9495 -191.495 -65.243 GPRESSURE: 2495600 -172.325 -66.2566 -40.768 11.3401 68.9674 -170.211 37.7695 -209.169 -119.758 PRESSAVG: 2495600 20.7013 -22.368 49.3058 -22.368 -21.9391 -6.02022 49.3057 -6.02027 -7.46896 GPRESSAVG: 2495600 20.8725 -20.9439 47.7202 -24.0444 -23.4738 -6.13214 49.6039 -6.57508 -6.24231 TIMING: 2495600 CPU: 7884.05, 0.00315444/step Wall: 7884.05, 0.00315444/step, 2.19444 hours remaining, 235.644531 MB of memory in use. ENERGY: 2495600 3948.5919 20578.2679 14387.7262 249.1895 -203227.8753 2666.6566 0.0000 0.0000 52122.7803 -109274.6629 299.5503 -161397.4432 -108909.4963 299.3370 -99.5376 -74.3721 762808.3570 -2.9023 -2.9479 PRESSURE: 2495800 -133.721 215.809 73.0981 215.809 -129.244 226.784 73.0984 226.785 -113.597 GPRESSURE: 2495800 -156.998 129.32 24.8765 73.3626 -6.90894 122.501 62.1923 225.788 -135.157 PRESSAVG: 2495800 6.4345 2.12604 -10.3179 2.12603 -23.3117 -29.4205 -10.3179 -29.4204 4.27327 GPRESSAVG: 2495800 5.19974 -0.347303 -11.0564 4.21017 -22.1809 -30.7214 -12.0614 -29.2468 3.91793 TIMING: 2495800 CPU: 7884.68, 0.00315802/step Wall: 7884.68, 0.00315802/step, 2.19675 hours remaining, 235.644531 MB of memory in use. ENERGY: 2495800 3981.9093 20616.2785 14437.2109 252.5364 -203031.9055 2395.0421 0.0000 0.0000 52114.0380 -109234.8903 299.5001 -161348.9283 -108873.1061 299.6126 -125.5206 -99.6878 763696.8071 -4.2013 -4.3544 PRESSURE: 2496000 206.608 -137.473 201.255 -137.473 337.846 -164.159 201.257 -164.161 78.0498 GPRESSURE: 2496000 248.148 -191.198 178.231 -79.0369 313.7 -176.15 46.0903 -113.936 150.887 PRESSAVG: 2496000 -12.3775 -66.803 -6.97808 -66.8029 -14.8456 -26.123 -6.97807 -26.123 -14.1305 GPRESSAVG: 2496000 -12.4156 -66.7465 -7.69405 -67.2349 -15.2089 -26.5822 -8.1725 -24.9932 -13.7659 TIMING: 2496000 CPU: 7885.31, 0.00316387/step Wall: 7885.31, 0.00316387/step, 2.20065 hours remaining, 235.644531 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: 2496000 4029.9846 20415.7803 14375.7787 257.0620 -203452.9055 2903.3341 0.0000 0.0000 52370.0384 -109100.9275 300.9713 -161470.9659 -108740.2346 299.7333 207.5013 237.5782 762122.7548 -13.7845 -13.7968 PRESSURE: 2496200 178.502 14.685 -196.589 14.6847 -92.0796 -12.0341 -196.588 -12.0332 95.1994 GPRESSURE: 2496200 219.478 -11.8676 -139.263 -88.2786 -55.0992 -52.7115 -279.068 14.7624 100.968 PRESSAVG: 2496200 40.2156 -24.1146 -24.2412 -24.1146 1.20496 12.3696 -24.2411 12.3697 9.16243 GPRESSAVG: 2496200 40.763 -25.0681 -23.3513 -24.8639 -0.275238 13.1925 -23.1819 10.2258 9.83214 TIMING: 2496200 CPU: 7885.94, 0.00315668/step Wall: 7885.94, 0.00315668/step, 2.19547 hours remaining, 235.644531 MB of memory in use. ENERGY: 2496200 4044.8619 20692.8881 14316.5725 275.1904 -203724.6208 2972.8201 0.0000 0.0000 52288.6916 -109133.5962 300.5038 -161422.2879 -108772.2351 300.0405 60.5407 88.4489 761696.3462 16.8610 16.7733 LDB: ============= START OF LOAD BALANCING ============== 7898.48 LDB: ============== END OF LOAD BALANCING =============== 7898.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7898.48 LDB: ============= START OF LOAD BALANCING ============== 7898.8 LDB: Largest compute 7030 load 0.029882 is 15.3% of average load 0.195506 LDB: Average compute 0.004394 is 2.2% of average load 0.195506 LDB: TIME 7898.8 LOAD: AVG 0.195506 MAX 0.211237 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.387 MB LDB: TIME 7898.8 LOAD: AVG 0.195506 MAX 0.211237 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: TIME 7898.8 LOAD: AVG 0.195506 MAX 0.211237 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: ============== END OF LOAD BALANCING =============== 7898.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7898.81 PRESSURE: 2496400 138.847 10.7875 168.568 10.787 -6.49021 43.7351 168.568 43.7354 82.2088 GPRESSURE: 2496400 163.888 -44.1853 190.693 -1.95018 20.5482 90.2738 203.433 77.6361 92.1721 PRESSAVG: 2496400 44.4843 7.04044 6.43808 7.04042 -24.6663 -11.6942 6.43803 -11.6943 -12.3843 GPRESSAVG: 2496400 45.2566 6.82857 5.80018 7.59935 -25.6805 -12.1528 7.6742 -10.7362 -12.6911 TIMING: 2496400 CPU: 7886.59, 0.00325293/step Wall: 7886.59, 0.00325293/step, 2.26223 hours remaining, 235.441406 MB of memory in use. ENERGY: 2496400 3983.6960 20455.8873 14461.4439 270.9630 -203405.0191 2988.1851 0.0000 0.0000 52018.1755 -109226.6683 298.9492 -161244.8438 -108869.2582 299.6640 71.5219 92.2027 764116.8914 2.4779 2.2950 PRESSURE: 2496600 181.415 -13.4224 -37.2112 -13.4222 67.8684 114.382 -37.2117 114.383 -44.5197 GPRESSURE: 2496600 309.033 78.2086 15.1529 -29.6631 11.5808 177.376 -46.0931 244.212 -35.106 PRESSAVG: 2496600 11.8502 81.1032 -6.86481 81.1032 -42.5407 28.9546 -6.86483 28.9546 -10.6675 GPRESSAVG: 2496600 10.6905 82.6031 -5.62937 79.9697 -40.798 30.3749 -6.71589 27.6876 -11.0791 TIMING: 2496600 CPU: 7887.23, 0.00317797/step Wall: 7887.23, 0.00317797/step, 2.20993 hours remaining, 235.441406 MB of memory in use. ENERGY: 2496600 3939.9025 20515.8958 14442.7487 267.9903 -203634.5700 2908.0168 0.0000 0.0000 52070.8258 -109489.1901 299.2518 -161560.0159 -109120.8266 299.1034 68.2545 95.1694 761918.1020 -13.7860 -13.7289 PRESSURE: 2496800 62.0572 94.2347 -263.559 94.2346 260.362 68.2968 -263.558 68.2969 -53.1526 GPRESSURE: 2496800 70.2865 93.3755 -262.642 107.776 246.564 81.9465 -311.597 8.93513 51.6517 PRESSAVG: 2496800 14.7234 76.2927 17.5057 76.2927 -32.4154 19.4746 17.5057 19.4745 11.0077 GPRESSAVG: 2496800 16.6536 76.2924 16.4027 77.8328 -33.2319 18.3712 17.1278 21.0602 10.0318 TIMING: 2496800 CPU: 7887.86, 0.00313458/step Wall: 7887.86, 0.00313458/step, 2.17957 hours remaining, 235.441406 MB of memory in use. ENERGY: 2496800 3906.3188 20520.6245 14396.5770 244.4985 -203348.8104 2748.2891 0.0000 0.0000 51597.8306 -109934.6720 296.5334 -161532.5026 -109574.3102 298.6104 89.7554 122.8342 761944.7406 -2.2281 -2.1822 PRESSURE: 2497000 275.323 62.3792 44.614 62.3791 -279.095 -7.17017 44.6137 -7.17057 -295.4 GPRESSURE: 2497000 320.357 122.836 133.851 85.3598 -246.257 -1.24925 -53.9409 52.774 -285.402 PRESSAVG: 2497000 26.4721 -18.6258 -18.1627 -18.6257 39.7562 10.7816 -18.1628 10.7815 4.22604 GPRESSAVG: 2497000 26.2143 -18.5866 -18.1679 -18.4592 39.3926 11.4902 -17.9194 10.6197 5.35587 TIMING: 2497000 CPU: 7888.49, 0.00315792/step Wall: 7888.49, 0.00315792/step, 2.19563 hours remaining, 235.644531 MB of memory in use. ENERGY: 2497000 4009.4379 20620.2835 14425.8456 248.4342 -203605.8981 2638.7376 0.0000 0.0000 51828.3967 -109834.7627 297.8585 -161663.1594 -109466.9314 298.0165 -99.7241 -70.4343 760095.5708 23.4848 23.6543 PRESSURE: 2497200 -263.964 -40.5454 8.25125 -40.5457 234.65 -131.351 8.25099 -131.351 -377.608 GPRESSURE: 2497200 -171.179 -44.5376 34.4308 -71.9909 206.974 -81.5442 134.646 -75.1754 -363.44 PRESSAVG: 2497200 57.1918 12.4051 29.4471 12.4052 -58.0102 -20.979 29.4471 -20.979 -2.27375 GPRESSAVG: 2497200 56.3469 12.7543 29.8179 11.641 -56.9191 -20.3936 30.3723 -21.5359 -2.27894 TIMING: 2497200 CPU: 7889.12, 0.00315704/step Wall: 7889.12, 0.00315704/step, 2.19485 hours remaining, 235.644531 MB of memory in use. ENERGY: 2497200 4078.8395 20250.3198 14403.2566 255.0063 -203281.6084 2558.3376 0.0000 0.0000 51913.0467 -109822.8018 298.3450 -161735.8485 -109454.4116 298.0412 -135.6407 -109.2150 761526.3857 -1.0307 -0.9504 PRESSURE: 2497400 -103.484 111.982 74.2837 111.983 -274.509 79.7889 74.2835 79.7893 -264.505 GPRESSURE: 2497400 -90.2673 98.2045 117.027 175.308 -294.011 24.4364 170.781 168.42 -166.242 PRESSAVG: 2497400 -49.6141 48.2147 51.1112 48.2147 37.2037 45.7419 51.1112 45.742 -0.436908 GPRESSAVG: 2497400 -48.9387 47.8765 52.1626 49.4278 36.603 44.7551 50.4548 47.3125 -0.197407 TIMING: 2497400 CPU: 7889.75, 0.00316465/step Wall: 7889.75, 0.00316465/step, 2.19996 hours remaining, 235.714844 MB of memory in use. ENERGY: 2497400 4075.8761 20405.0011 14406.8443 247.4103 -203368.2222 2664.4460 0.0000 0.0000 51585.9617 -109982.6827 296.4652 -161568.6444 -109633.4474 298.1846 -214.1661 -183.5068 762938.1129 -4.2824 -4.1777 PRESSURE: 2497600 -39.6613 1.00273 -33.3758 1.00367 54.8254 -54.1411 -33.3748 -54.14 259.539 GPRESSURE: 2497600 104.753 -59.4457 5.57725 -43.7953 150.336 35.7586 -101.841 -42.2951 110.834 PRESSAVG: 2497600 -16.7181 41.8275 85.96 41.8276 17.1099 -1.54779 85.96 -1.54776 5.48165 GPRESSAVG: 2497600 -16.7906 44.7071 85.2566 38.5004 18.5811 -0.695582 85.3285 -3.54298 4.36628 TIMING: 2497600 CPU: 7890.39, 0.00317361/step Wall: 7890.39, 0.00317361/step, 2.20601 hours remaining, 235.714844 MB of memory in use. ENERGY: 2497600 3925.9641 20391.7436 14352.3827 252.7022 -203723.9751 2934.4874 0.0000 0.0000 51852.5658 -110014.1293 297.9974 -161866.6952 -109652.4071 297.6565 91.5677 121.9742 762350.6389 1.9578 2.0523 PRESSURE: 2497800 -90.3229 66.9309 14.2872 66.9313 80.8036 70.4233 14.288 70.4239 96.7746 GPRESSURE: 2497800 -47.2489 92.813 123.535 92.9173 103.937 84.1228 16.9695 59.4194 128.672 PRESSAVG: 2497800 -15.1297 29.0821 91.6605 29.0821 2.61836 -30.9972 91.6605 -30.9972 -18.368 GPRESSAVG: 2497800 -16.2244 25.1741 91.5885 31.3603 2.41105 -30.9755 91.3123 -31.8547 -17.5814 TIMING: 2497800 CPU: 7891.02, 0.0031636/step Wall: 7891.02, 0.0031636/step, 2.19888 hours remaining, 235.714844 MB of memory in use. ENERGY: 2497800 4023.6263 20440.6504 14499.9049 241.2890 -203547.5191 2847.1288 0.0000 0.0000 51655.8808 -109839.0389 296.8671 -161494.9197 -109482.4667 297.7097 29.0851 61.7869 762571.6128 -10.2931 -10.4649 PRESSURE: 2498000 -49.3504 -76.3695 210.974 -76.3702 -113.565 -35.7179 210.974 -35.7173 -270.725 GPRESSURE: 2498000 -5.05491 -80.2299 178.502 -33.127 -50.9678 -44.2123 187.595 -33.6545 -305.549 PRESSAVG: 2498000 -37.0222 17.9288 69.508 17.9289 -1.24731 -0.00622988 69.5081 -0.00615601 -5.31411 GPRESSAVG: 2498000 -37.0114 20.2942 68.019 18.3187 -0.456509 -0.471033 70.4332 0.0247281 -6.00728 TIMING: 2498000 CPU: 7891.65, 0.00316847/step Wall: 7891.65, 0.00316847/step, 2.20208 hours remaining, 235.714844 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: 2498000 3916.1844 20548.1244 14433.6626 235.4980 -203525.6574 2699.3659 0.0000 0.0000 51835.8948 -109856.9273 297.9016 -161692.8221 -109489.1908 297.4650 -144.5465 -120.5238 763172.7140 -14.5279 -14.4917 PRESSURE: 2498200 151.793 298.534 100.891 298.534 129.872 -245.693 100.89 -245.694 470.706 GPRESSURE: 2498200 277.53 182.331 77.9904 219.842 111.292 -267.95 99.5023 -26.0976 466.133 PRESSAVG: 2498200 19.9916 20.2067 -14.4255 20.2067 -21.9149 -34.7183 -14.4255 -34.7183 10.7733 GPRESSAVG: 2498200 21.1292 16.7928 -14.1398 19.0741 -22.7092 -34.6957 -15.2186 -33.6446 11.2202 TIMING: 2498200 CPU: 7892.29, 0.0031651/step Wall: 7892.29, 0.0031651/step, 2.19957 hours remaining, 235.714844 MB of memory in use. ENERGY: 2498200 3933.8152 20507.1357 14468.9124 247.7796 -203598.0195 2707.1291 0.0000 0.0000 51886.9569 -109846.2906 298.1951 -161733.2475 -109481.0112 298.0025 250.7900 284.9850 761172.3685 2.9500 3.2134 PRESSURE: 2498400 -23.4603 -164.755 -144.11 -164.755 -279.36 275.471 -144.11 275.471 186.193 GPRESSURE: 2498400 -51.5478 -45.2522 -104.391 -92.5639 -162.003 224.699 -91.594 354.471 179.974 PRESSAVG: 2498400 -9.3588 -8.46858 -5.93008 -8.46864 2.8118 24.4502 -5.93016 24.4501 2.18093 GPRESSAVG: 2498400 -8.76631 -3.27147 -5.84352 -8.18555 2.21607 25.3367 -4.97432 23.4984 2.26835 TIMING: 2498400 CPU: 7892.92, 0.00316073/step Wall: 7892.92, 0.00316073/step, 2.19636 hours remaining, 235.714844 MB of memory in use. ENERGY: 2498400 4033.8679 20421.5915 14475.1560 234.8758 -203100.0454 2362.5397 0.0000 0.0000 51860.7903 -109711.2243 298.0447 -161572.0145 -109350.2632 297.9861 -38.8759 -11.1922 761882.9446 -1.4554 -1.4273 PRESSURE: 2498600 226.566 -24.3441 -256.56 -24.3441 400.24 -75.1403 -256.56 -75.1409 -132.053 GPRESSURE: 2498600 228.863 68.8515 -251.782 -42.059 443.547 -142.769 -167.665 -98.3897 -104.428 PRESSAVG: 2498600 -59.0983 -4.15802 21.3614 -4.15801 15.3513 14.8502 21.3613 14.8501 29.7251 GPRESSAVG: 2498600 -60.0472 -6.82165 22.4802 -3.94812 15.5696 14.141 20.6437 12.3709 30.2677 TIMING: 2498600 CPU: 7893.55, 0.00313863/step Wall: 7893.55, 0.00313863/step, 2.18082 hours remaining, 235.714844 MB of memory in use. ENERGY: 2498600 3940.8004 20390.7406 14369.8909 248.4370 -203562.6805 3039.3144 0.0000 0.0000 51997.5919 -109575.9053 298.8309 -161573.4972 -109209.7331 298.4257 164.9176 189.3274 762548.4178 -4.6740 -4.7366 PRESSURE: 2498800 75.144 -69.1617 188.019 -69.1616 -254.186 -148.257 188.02 -148.257 -138.039 GPRESSURE: 2498800 115.323 -62.9649 179.169 -17.55 -229.305 -147.439 33.9863 -163.48 -117.622 PRESSAVG: 2498800 31.2777 -31.4263 21.0255 -31.4263 -47.7675 10.4893 21.0255 10.4893 1.19491 GPRESSAVG: 2498800 30.6884 -32.2281 20.1668 -31.7352 -47.5154 9.42381 22.3237 13.4639 0.92822 TIMING: 2498800 CPU: 7894.18, 0.00315627/step Wall: 7894.18, 0.00315627/step, 2.1929 hours remaining, 235.714844 MB of memory in use. ENERGY: 2498800 3963.6085 20496.0622 14469.2481 250.7524 -203532.1999 2759.2986 0.0000 0.0000 52013.7981 -109579.4319 298.9240 -161593.2300 -109220.6910 298.5505 -105.6934 -77.2012 762174.0032 -5.0983 -5.2996 PRESSURE: 2499000 86.6771 -7.89848 23.9121 -7.89841 -212.191 33.5093 23.9118 33.5085 148.832 GPRESSURE: 2499000 60.6691 -77.5646 20.4282 -23.0373 -161.078 -11.0595 123.514 69.4054 205.933 PRESSAVG: 2499000 -31.939 -34.2596 5.29579 -34.2596 27.2077 17.7974 5.29584 17.7975 -0.808981 GPRESSAVG: 2499000 -32.389 -33.2753 5.98752 -34.6154 26.6765 18.5318 3.43438 19.6701 -0.500285 TIMING: 2499000 CPU: 7894.81, 0.00315867/step Wall: 7894.81, 0.00315867/step, 2.1944 hours remaining, 235.714844 MB of memory in use. ENERGY: 2499000 3937.2118 20543.5889 14384.3893 232.2783 -203614.9720 2830.9400 0.0000 0.0000 51916.7408 -109769.8229 298.3662 -161686.5637 -109412.6412 298.1003 7.7724 35.1745 762530.0881 -1.8468 -2.0709 PRESSURE: 2499200 -381.998 -87.1146 -253.78 -87.1153 -308.272 34.5614 -253.781 34.5606 -148.75 GPRESSURE: 2499200 -373.313 -191.812 -111.755 -108.935 -262.601 -20.2872 -130.537 84.9535 -111.446 PRESSAVG: 2499200 -31.4016 -43.9194 -1.61269 -43.9195 34.3933 45.8089 -1.61273 45.8089 5.08984 GPRESSAVG: 2499200 -31.8144 -44.4486 -0.80427 -44.5137 34.5754 47.0848 -1.26941 42.9286 5.39811 TIMING: 2499200 CPU: 7895.45, 0.00318761/step Wall: 7895.45, 0.00318761/step, 2.21433 hours remaining, 235.714844 MB of memory in use. ENERGY: 2499200 3991.7226 20484.4200 14390.9575 244.7280 -203471.5124 2507.2661 0.0000 0.0000 52044.0504 -109808.3679 299.0979 -161852.4182 -109441.3042 298.4919 -279.6731 -249.1199 763577.7999 2.6938 2.7197 PRESSURE: 2499400 179.82 36.1961 150.79 36.1952 78.3289 -15.3631 150.791 -15.3625 296.714 GPRESSURE: 2499400 232.008 -68.5501 99.7595 76.0676 43.821 -17.8077 87.7855 -57.3356 366.837 PRESSAVG: 2499400 -30.1377 -23.5765 -34.768 -23.5764 5.34338 -10.8921 -34.768 -10.8922 19.1421 GPRESSAVG: 2499400 -30.0307 -23.6328 -35.4781 -22.7617 5.31189 -10.4383 -35.3474 -9.42395 19.1893 TIMING: 2499400 CPU: 7896.08, 0.00316969/step Wall: 7896.08, 0.00316969/step, 2.2017 hours remaining, 235.714844 MB of memory in use. ENERGY: 2499400 3968.9326 20649.7101 14482.4181 249.0961 -204098.1414 3053.7468 0.0000 0.0000 51619.4810 -110074.7567 296.6579 -161694.2376 -109720.0996 298.0405 184.9541 214.2222 761213.0327 -1.8841 -1.8432 PRESSURE: 2499600 224.27 107.172 198.807 107.172 -130.415 44.3497 198.807 44.349 205.074 GPRESSURE: 2499600 257.349 94.0147 187.612 48.1684 -115.444 23.5055 192.632 76.1967 257.518 PRESSAVG: 2499600 -8.63702 -74.1569 -23.6927 -74.1568 2.01598 41.2261 -23.6927 41.2261 0.455811 GPRESSAVG: 2499600 -8.49599 -72.5083 -24.5247 -75.7827 2.31176 38.764 -23.6956 40.0398 0.212812 TIMING: 2499600 CPU: 7896.72, 0.00317983/step Wall: 7896.72, 0.00317983/step, 2.20857 hours remaining, 235.714844 MB of memory in use. ENERGY: 2499600 3973.4829 20614.8728 14431.6517 237.4490 -204001.7586 2990.4006 0.0000 0.0000 51937.5970 -109816.3046 298.4861 -161753.9016 -109450.1277 298.1301 99.6426 133.1412 760701.8795 -2.0551 -1.9905 PRESSURE: 2499800 -101.088 -208.883 -159.821 -208.883 141.973 -1.65274 -159.821 -1.65333 273.887 GPRESSURE: 2499800 -60.3118 -199.204 -181.749 -203.74 119.185 50.6269 -4.91601 -32.5786 323.863 PRESSAVG: 2499800 -27.574 1.19946 15.2327 1.19943 34.8087 51.4253 15.2327 51.4254 12.9766 GPRESSAVG: 2499800 -26.2842 -0.0817677 15.845 0.564844 35.1278 53.6124 16.138 50.8193 11.5818 TIMING: 2499800 CPU: 7897.35, 0.00317251/step Wall: 7897.35, 0.00317251/step, 2.20331 hours remaining, 235.714844 MB of memory in use. ENERGY: 2499800 3966.1348 20563.3965 14402.0289 240.8708 -203328.4148 2579.1300 0.0000 0.0000 52000.2781 -109576.5757 298.8463 -161576.8539 -109214.1504 298.3267 104.9243 127.5788 763432.4153 6.7371 6.8085 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2500000 WRITING COORDINATES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2500000 -28.9535 -11.3729 63.8558 -11.3729 -109.266 368.467 63.857 368.467 58.5031 GPRESSURE: 2500000 -52.9139 74.2456 90.4929 -22.6451 9.58515 360.488 -120.811 366.781 46.7647 PRESSAVG: 2500000 0.920384 26.0708 -37.4078 26.0708 16.7196 24.7724 -37.4078 24.7723 -15.6756 GPRESSAVG: 2500000 -0.67266 25.1306 -37.6074 27.0605 17.3974 22.9336 -34.8615 26.7087 -14.8929 TIMING: 2500000 CPU: 7898, 0.00323817/step Wall: 7898, 0.00323817/step, 2.24873 hours remaining, 235.714844 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: 2500000 3982.1027 20469.7382 14437.3400 237.0429 -203800.7763 2738.7905 0.0000 0.0000 52061.8021 -109873.9599 299.1999 -161935.7620 -109516.9826 298.5980 -26.5720 1.1453 762336.3242 0.6548 0.6106 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING VELOCITIES TO RESTART FILE AT STEP 2500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2500200 138.307 -22.3321 228.401 -22.3323 204.884 71.7838 228.401 71.7846 -223.521 GPRESSURE: 2500200 140.274 -14.7723 289.867 -127.916 200.252 123.485 190.4 52.815 -133.797 PRESSAVG: 2500200 -42.9744 3.00704 73.6165 3.00707 60.6204 20.1248 73.6164 20.1248 27.5924 GPRESSAVG: 2500200 -42.5665 4.46369 75.1297 3.12107 59.104 22.1743 71.7439 19.879 28.652 TIMING: 2500200 CPU: 7898.64, 0.00320855/step Wall: 7898.64, 0.00320855/step, 2.22798 hours remaining, 235.714844 MB of memory in use. ENERGY: 2500200 3936.4769 20666.8499 14419.8170 253.6489 -203628.6201 2783.4130 0.0000 0.0000 51888.1742 -109680.2402 298.2021 -161568.4144 -109318.5510 298.2826 39.8899 68.9096 760240.5360 15.0795 15.0632 LDB: ============= START OF LOAD BALANCING ============== 7911.17 LDB: ============== END OF LOAD BALANCING =============== 7911.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7911.17 LDB: ============= START OF LOAD BALANCING ============== 7911.49 LDB: Largest compute 7030 load 0.030850 is 15.8% of average load 0.195517 LDB: Average compute 0.004384 is 2.2% of average load 0.195517 LDB: TIME 7911.49 LOAD: AVG 0.195517 MAX 0.211116 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.156 MB LDB: TIME 7911.5 LOAD: AVG 0.195517 MAX 0.211116 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: TIME 7911.5 LOAD: AVG 0.195517 MAX 0.211116 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: ============== END OF LOAD BALANCING =============== 7911.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7911.5 PRESSURE: 2500400 -187.805 -32.2504 213.126 -32.2507 -2.22926 -152.2 213.126 -152.2 -200.849 GPRESSURE: 2500400 -105.819 -67.9104 131.412 1.50556 -34.0524 -158.663 108.165 -146.518 -174.682 PRESSAVG: 2500400 -32.5075 -3.23961 50.7323 -3.23961 21.2222 -55.0893 50.7322 -55.0893 -4.75654 GPRESSAVG: 2500400 -31.2754 -4.2434 49.1263 -5.08718 21.3316 -54.8824 49.7082 -55.7338 -5.72421 TIMING: 2500400 CPU: 7899.29, 0.00322859/step Wall: 7899.29, 0.00322859/step, 2.24172 hours remaining, 235.574219 MB of memory in use. ENERGY: 2500400 4036.0459 20577.8729 14387.0933 280.6465 -203540.0032 2638.6178 0.0000 0.0000 52102.8976 -109516.8293 299.4361 -161619.7268 -109144.6081 298.7966 -130.2944 -104.8509 761993.4957 -5.3473 -5.2227 PRESSURE: 2500600 -267.662 -204.594 -144.177 -204.594 -470.008 -66.9683 -144.177 -66.9681 203.617 GPRESSURE: 2500600 -244.639 -87.1371 -84.3903 -101.234 -429.036 -36.741 -49.3408 -16.0134 221.758 PRESSAVG: 2500600 -22.743 11.5785 -13.6496 11.5784 41.7558 -32.4726 -13.6496 -32.4725 -25.9662 GPRESSAVG: 2500600 -24.1526 11.4809 -12.6452 13.3016 42.4109 -33.9489 -12.1894 -32.0932 -25.6323 TIMING: 2500600 CPU: 7899.92, 0.00317535/step Wall: 7899.92, 0.00317535/step, 2.20458 hours remaining, 235.832031 MB of memory in use. ENERGY: 2500600 3987.7775 20476.8383 14455.3757 268.1434 -203059.9382 2402.9140 0.0000 0.0000 52158.4244 -109310.4649 299.7552 -161468.8893 -108948.3193 299.0026 -178.0178 -150.6388 762082.3858 -2.3178 -2.4580 PRESSURE: 2500800 -128.402 60.8523 -49.3188 60.8531 -321.587 27.62 -49.318 27.6195 -35.4823 GPRESSURE: 2500800 -181.132 -59.6022 31.5146 88.7811 -238.843 145.506 -149.089 -55.4661 6.28272 PRESSAVG: 2500800 -21.9006 3.21533 -12.1593 3.21535 -12.9013 7.80853 -12.1593 7.8085 1.14645 GPRESSAVG: 2500800 -22.0424 4.82536 -11.439 2.82463 -11.7062 8.08293 -13.7139 8.94944 0.270263 TIMING: 2500800 CPU: 7900.55, 0.00316535/step Wall: 7900.55, 0.00316535/step, 2.19746 hours remaining, 235.832031 MB of memory in use. ENERGY: 2500800 4086.6636 20465.6350 14432.0887 240.8065 -203303.2272 2649.7231 0.0000 0.0000 52154.0963 -109274.2139 299.7303 -161428.3102 -108909.8345 299.4727 -161.8239 -137.8972 762421.6449 -11.2185 -11.1594 PRESSURE: 2501000 -43.1568 79.1439 49.0809 79.144 -252.624 43.2847 49.0811 43.2858 -355.729 GPRESSURE: 2501000 51.8272 106.459 83.2781 40.582 -217.387 3.7112 116.815 58.9626 -399.563 PRESSAVG: 2501000 33.2575 7.5162 -39.7484 7.51616 -6.95016 1.81751 -39.7483 1.81754 7.92447 GPRESSAVG: 2501000 35.2123 6.56216 -40.1397 8.86013 -8.57066 1.02801 -41.1659 1.88141 8.03809 TIMING: 2501000 CPU: 7901.19, 0.00317016/step Wall: 7901.19, 0.00317016/step, 2.20062 hours remaining, 236.035156 MB of memory in use. ENERGY: 2501000 4056.1006 20578.8019 14389.4120 243.8955 -203244.2915 2672.8781 0.0000 0.0000 51982.1972 -109321.0063 298.7424 -161303.2035 -108960.3680 298.9424 -217.1700 -188.3744 761657.4199 11.4106 11.5599 PRESSURE: 2501200 -18.6764 84.8918 105.426 84.8914 -133.84 -22.5213 105.426 -22.522 56.5825 GPRESSURE: 2501200 -13.345 160.845 127.806 106.324 -21.7239 -104.131 -41.1198 20.1061 26.6399 PRESSAVG: 2501200 3.49585 -50.7039 67.7836 -50.7039 1.65729 1.42095 67.7835 1.42088 15.8643 GPRESSAVG: 2501200 1.9817 -50.2111 66.9905 -49.4976 2.80142 2.75769 69.8054 0.720187 16.3849 TIMING: 2501200 CPU: 7901.82, 0.00317492/step Wall: 7901.82, 0.00317492/step, 2.20374 hours remaining, 236.035156 MB of memory in use. ENERGY: 2501200 4036.1473 20474.3521 14390.5240 247.0856 -203324.5943 2674.7559 0.0000 0.0000 52219.0802 -109282.6492 300.1038 -161501.7294 -108923.0852 299.0581 -31.9781 -2.8097 762281.4245 7.0058 7.0560 PRESSURE: 2501400 347.581 -171.829 -22.0927 -171.829 277.306 49.447 -22.0919 49.4485 138.085 GPRESSURE: 2501400 345.344 -152.868 -129.554 -160.518 346.254 -54.4291 -10.0846 -94.5041 155.511 PRESSAVG: 2501400 -43.1323 20.8952 -5.39034 20.8952 52.2899 3.3393 -5.39022 3.33934 12.9079 GPRESSAVG: 2501400 -41.3613 21.1163 -4.53701 20.0268 52.1503 3.23234 -6.84209 2.90798 11.2562 TIMING: 2501400 CPU: 7902.46, 0.00316583/step Wall: 7902.46, 0.00316583/step, 2.19726 hours remaining, 236.175781 MB of memory in use. ENERGY: 2501400 4025.7231 20650.9026 14432.3142 266.8476 -203523.4029 3046.9839 0.0000 0.0000 51876.2822 -109224.3492 298.1337 -161100.6314 -108864.8043 298.9343 254.3241 282.3699 761390.6501 7.3552 7.3484 PRESSURE: 2501600 -107.188 22.9656 -54.2172 22.9659 -92.0612 -143.559 -54.2165 -143.558 -468.428 GPRESSURE: 2501600 -55.186 -20.8151 -111.436 88.2963 -103.047 -185.767 62.1046 -97.1833 -437.565 PRESSAVG: 2501600 17.2136 -68.5139 21.3089 -68.5139 -29.2133 -35.5159 21.3089 -35.5159 5.306 GPRESSAVG: 2501600 15.6692 -67.2512 19.7079 -68.9642 -29.5821 -35.0641 22.4134 -34.6206 6.87816 TIMING: 2501600 CPU: 7903.08, 0.00314238/step Wall: 7903.08, 0.00314238/step, 2.18081 hours remaining, 236.175781 MB of memory in use. ENERGY: 2501600 4056.2861 20631.6003 14415.2000 247.9745 -203314.2560 2478.7942 0.0000 0.0000 52091.9952 -109392.4057 299.3734 -161484.4009 -109032.1644 299.7504 -222.5589 -198.5993 761327.2383 -2.2312 -2.3449 PRESSURE: 2501800 78.6377 -48.9039 -70.7465 -48.904 -157.369 156.371 -70.747 156.369 -98.3791 GPRESSURE: 2501800 116.707 75.7652 -66.7109 -99.0762 -110.919 192.748 -70.8595 285.256 -83.7556 PRESSAVG: 2501800 1.31582 -51.2775 -24.6764 -51.2775 -2.73274 -12.5467 -24.6763 -12.5468 -12.1444 GPRESSAVG: 2501800 1.78507 -53.7603 -21.8861 -50.7229 -2.14847 -13.1364 -25.5662 -13.2968 -12.8589 TIMING: 2501800 CPU: 7903.71, 0.0031526/step Wall: 7903.71, 0.0031526/step, 2.18773 hours remaining, 236.175781 MB of memory in use. ENERGY: 2501800 4097.7156 20593.0231 14427.1556 227.1619 -203493.8855 2882.9369 0.0000 0.0000 52100.6043 -109165.2880 299.4229 -161265.8923 -108810.3447 299.7953 -59.0368 -25.9891 761237.6973 -4.5204 -4.4074 PRESSURE: 2502000 256.982 -74.1376 54.5991 -74.138 161.939 79.0612 54.5985 79.06 372.271 GPRESSURE: 2502000 241.421 -135.532 -4.23064 -124.27 194.296 70.4219 128.901 -1.2411 422.862 PRESSAVG: 2502000 -2.7578 -27.614 -5.02344 -27.614 22.6094 -26.9789 -5.02346 -26.9789 34.0947 GPRESSAVG: 2502000 -3.61378 -25.8969 -6.29209 -27.6028 21.7391 -25.9023 -4.36519 -26.8762 35.9888 TIMING: 2502000 CPU: 7904.35, 0.00315259/step Wall: 7904.35, 0.00315259/step, 2.18755 hours remaining, 236.175781 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: 2502000 4028.7170 20690.6603 14376.0845 260.7480 -203442.1387 2791.0573 0.0000 0.0000 52012.5616 -109282.3100 298.9169 -161294.8716 -108913.6097 299.2026 263.7309 286.1932 761017.3915 17.9821 18.0381 PRESSURE: 2502200 -192.789 -7.3633 36.8474 -7.36424 -85.3063 -71.6779 36.848 -71.6773 185.073 GPRESSURE: 2502200 -230.343 22.8209 26.1497 -14.4738 26.5779 -219.012 -72.9743 -142.018 181.998 PRESSAVG: 2502200 9.86597 -58.4366 61.9934 -58.4367 -17.1101 -28.3103 61.9934 -28.3103 -20.4513 GPRESSAVG: 2502200 10.6543 -57.6746 61.603 -61.2649 -18.1728 -29.6129 62.8501 -29.9903 -20.6232 TIMING: 2502200 CPU: 7904.97, 0.00314046/step Wall: 7904.97, 0.00314046/step, 2.17895 hours remaining, 236.175781 MB of memory in use. ENERGY: 2502200 3978.2823 20600.2934 14487.3645 239.0169 -203516.4278 2669.0218 0.0000 0.0000 52254.0656 -109288.3834 300.3048 -161542.4490 -108925.6842 299.0613 -31.0074 -7.2557 761965.6598 -9.2318 -9.3806 PRESSURE: 2502400 -7.78476 -42.4993 -42.1602 -42.4996 -153.983 -151.327 -42.1599 -151.328 -103.355 GPRESSURE: 2502400 -8.26366 -86.6059 -26.4965 -54.7141 -116.143 -132.331 -148.832 12.3647 -69.0116 PRESSAVG: 2502400 27.6895 -44.8129 -52.555 -44.8129 -34.548 16.4501 -52.5551 16.45 16.4543 GPRESSAVG: 2502400 28.0671 -46.955 -53.4136 -41.8281 -32.3851 17.4394 -52.4675 18.3757 14.5701 TIMING: 2502400 CPU: 7905.6, 0.00315696/step Wall: 7905.6, 0.00315696/step, 2.19023 hours remaining, 236.175781 MB of memory in use. ENERGY: 2502400 4058.6694 20598.5361 14429.3836 238.5361 -203310.6471 2591.2692 0.0000 0.0000 52042.7369 -109351.5158 299.0903 -161394.2527 -108985.7876 299.5908 -88.3743 -64.4728 762317.3534 3.1986 3.4173 PRESSURE: 2502600 184.388 -107.32 51.0789 -107.32 -9.48142 -19.7796 51.0779 -19.7787 -331.295 GPRESSURE: 2502600 282.392 -55.3492 100.719 -147.35 -15.0955 -74.0254 99.9694 9.30891 -312.444 PRESSAVG: 2502600 -26.4555 -3.42955 -42.0491 -3.42961 -12.3103 35.0508 -42.0492 35.0508 -5.18243 GPRESSAVG: 2502600 -26.8204 -2.41978 -42.1968 -4.95998 -13.4187 34.6145 -42.0091 35.0152 -3.55718 TIMING: 2502600 CPU: 7906.24, 0.00315352/step Wall: 7906.24, 0.00315352/step, 2.18767 hours remaining, 236.175781 MB of memory in use. ENERGY: 2502600 3939.6108 20684.5085 14423.4219 259.1285 -203504.7722 2843.5170 0.0000 0.0000 51909.8354 -109444.7502 298.3265 -161354.5856 -109095.4141 299.2573 -52.1293 -15.0493 762516.7935 -14.6494 -14.5988 PRESSURE: 2502800 334.059 -93.2825 21.5869 -93.2833 232.702 -68.7936 21.5861 -68.794 344.297 GPRESSURE: 2502800 321.78 -79.224 20.5509 -149.854 264.618 -35.0896 -9.31715 -62.3554 405.999 PRESSAVG: 2502800 -2.93492 -56.1574 -0.485783 -56.1574 -7.67485 4.7018 -0.48575 4.70193 -4.94988 GPRESSAVG: 2502800 -3.43057 -57.9635 -1.12183 -55.2739 -6.2465 4.91643 -0.0519258 6.76881 -5.32612 TIMING: 2502800 CPU: 7906.86, 0.00312973/step Wall: 7906.86, 0.00312973/step, 2.17099 hours remaining, 236.175781 MB of memory in use. ENERGY: 2502800 3923.3662 20525.3685 14361.5207 257.3596 -203586.4514 3031.8812 0.0000 0.0000 52151.8063 -109335.1488 299.7171 -161486.9552 -108973.5107 299.4232 303.6859 330.7992 761765.5184 -5.1865 -5.0011 PRESSURE: 2503000 -398.877 -137.522 164.883 -137.522 -161.584 69.4945 164.883 69.4951 -117.76 GPRESSURE: 2503000 -311.965 -167.05 145.95 -90.1026 -171.389 -10.5967 133.703 -39.027 -112.025 PRESSAVG: 2503000 13.5911 -63.403 -14.5495 -63.4029 -3.487 -37.4055 -14.5495 -37.4056 -1.67952 GPRESSAVG: 2503000 13.6548 -60.2415 -12.8543 -64.4201 -3.81366 -36.5441 -17.8007 -39.7496 -1.72856 TIMING: 2503000 CPU: 7907.49, 0.00314935/step Wall: 7907.49, 0.00314935/step, 2.18442 hours remaining, 236.175781 MB of memory in use. ENERGY: 2503000 3939.3448 20634.1880 14367.8044 253.3833 -203047.3436 2498.5866 0.0000 0.0000 51777.2947 -109576.7418 297.5648 -161354.0365 -109208.0033 298.9680 -226.0738 -198.4594 762992.5283 2.8082 2.7042 PRESSURE: 2503200 123.922 24.8607 2.18984 24.8605 -51.9805 -67.247 2.18909 -67.2464 -96.2826 GPRESSURE: 2503200 225.039 -12.1771 -11.0843 33.2738 -68.6444 2.21284 4.75167 3.33532 -101.291 PRESSAVG: 2503200 13.6586 -17.3964 4.68408 -17.3964 24.7547 -46.5164 4.68403 -46.5164 -1.52554 GPRESSAVG: 2503200 15.1823 -19.5514 3.91582 -16.681 23.3816 -47.1381 5.5437 -44.739 -1.50057 TIMING: 2503200 CPU: 7908.12, 0.003166/step Wall: 7908.12, 0.003166/step, 2.1958 hours remaining, 236.175781 MB of memory in use. ENERGY: 2503200 3987.3087 20521.7170 14436.1235 240.3439 -203518.8780 2625.9852 0.0000 0.0000 52023.0668 -109684.3329 298.9773 -161707.3997 -109321.7804 298.1969 -8.1136 18.3676 761153.1494 12.2959 12.3544 PRESSURE: 2503400 -145.778 281.242 -66.1753 281.243 -266.213 -132.198 -66.1757 -132.2 -133.102 GPRESSURE: 2503400 -94.5907 298.6 46.6404 172.914 -248.086 -219.855 -137.811 -17.7276 -118.289 PRESSAVG: 2503400 -15.1227 -10.9664 -62.7328 -10.9664 4.31519 -20.1578 -62.7328 -20.1578 -12.6241 GPRESSAVG: 2503400 -15.4905 -9.77881 -62.1046 -12.21 4.01991 -18.9202 -62.1402 -22.9056 -12.1525 TIMING: 2503400 CPU: 7908.76, 0.00317057/step Wall: 7908.76, 0.00317057/step, 2.19879 hours remaining, 236.175781 MB of memory in use. ENERGY: 2503400 4031.4267 20629.3780 14327.7624 247.9565 -203544.2748 2750.5682 0.0000 0.0000 52144.7974 -109412.3856 299.6769 -161557.1830 -109051.3187 298.6085 -181.6978 -153.6553 761634.9517 -7.8106 -7.8744 PRESSURE: 2503600 -178.505 73.3058 33.4536 73.3065 119.815 193.318 33.4544 193.319 -119.384 GPRESSURE: 2503600 -177.553 107.083 29.3677 -26.6374 250.565 130.589 -171.431 249.097 -157.938 PRESSAVG: 2503600 -2.06536 -3.76959 -40.3969 -3.76954 -4.36181 -13.9671 -40.3969 -13.9671 -17.046 GPRESSAVG: 2503600 -2.82103 -4.78654 -40.7804 -3.06019 -2.06939 -15.6624 -39.4606 -9.77417 -18.2255 TIMING: 2503600 CPU: 7909.39, 0.0031373/step Wall: 7909.39, 0.0031373/step, 2.17554 hours remaining, 236.175781 MB of memory in use. ENERGY: 2503600 4005.6784 20529.6690 14390.0334 247.8976 -203343.6240 2477.7251 0.0000 0.0000 52335.3636 -109357.2569 300.7721 -161692.6205 -108981.6838 299.5303 -59.3582 -28.3086 761086.4134 -7.8244 -7.7053 PRESSURE: 2503800 -22.6173 -338.667 152.501 -338.667 290.057 130.962 152.501 130.963 20.0104 GPRESSURE: 2503800 174.348 -191.029 12.8093 -305.423 134.988 135.196 198.352 120.805 80.8398 PRESSAVG: 2503800 19.5809 -13.4931 -3.43654 -13.4931 -39.6458 -10.937 -3.4365 -10.9369 -0.889884 GPRESSAVG: 2503800 19.8358 -12.0092 -3.11291 -12.767 -40.4999 -9.56124 -4.22282 -13.9743 -0.140829 TIMING: 2503800 CPU: 7910.01, 0.00311787/step Wall: 7910.01, 0.00311787/step, 2.1619 hours remaining, 236.175781 MB of memory in use. ENERGY: 2503800 3971.1384 20544.7352 14431.9962 251.8604 -203192.9347 2643.7294 0.0000 0.0000 51866.9536 -109482.5214 298.0801 -161349.4750 -109110.5026 299.4283 95.8168 130.0585 761100.9902 -6.9849 -6.9350 PRESSURE: 2504000 109.612 -137.497 77.9037 -137.496 94.5284 117.627 77.9028 117.628 -108.46 GPRESSURE: 2504000 127.13 -199.252 25.3098 -129.968 102.03 120.446 -53.0155 135.017 -44.2703 PRESSAVG: 2504000 45.0406 -76.2981 -35.9259 -76.298 -56.7743 35.2459 -35.9259 35.2459 -18.7041 GPRESSAVG: 2504000 45.7195 -76.5383 -36.4313 -76.7299 -57.0303 33.7737 -35.5888 35.8177 -19.1886 TIMING: 2504000 CPU: 7910.64, 0.00314525/step Wall: 7910.64, 0.00314525/step, 2.18071 hours remaining, 236.175781 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: 2504000 3925.3837 20745.3802 14485.9070 257.1767 -203549.4146 2630.7317 0.0000 0.0000 51861.2790 -109643.5563 298.0475 -161504.8353 -109283.8459 298.9396 31.8937 61.6299 760205.9437 -10.1459 -10.1664 PRESSURE: 2504200 -57.812 9.16017 -90.8155 9.16027 -155.01 72.2288 -90.8152 72.229 20.1978 GPRESSURE: 2504200 -50.6155 -48.1285 -73.8943 3.41324 -104.035 43.8519 -4.0278 218.744 32.154 PRESSAVG: 2504200 21.974 -24.3556 9.95343 -24.3556 -4.84426 -20.894 9.95348 -20.894 6.6554 GPRESSAVG: 2504200 20.6634 -25.9721 10.1473 -24.0127 -5.25832 -19.8319 9.72889 -19.2041 8.24757 TIMING: 2504200 CPU: 7911.26, 0.00312979/step Wall: 7911.26, 0.00312979/step, 2.16982 hours remaining, 236.175781 MB of memory in use. ENERGY: 2504200 4020.1154 20638.1096 14448.9561 258.2404 -203119.9794 2317.3643 0.0000 0.0000 51875.5341 -109561.6595 298.1294 -161437.1935 -109195.3048 298.7984 -64.2081 -40.8321 759877.6958 7.9284 7.8842 LDB: ============= START OF LOAD BALANCING ============== 7923.8 LDB: ============== END OF LOAD BALANCING =============== 7923.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7923.8 LDB: ============= START OF LOAD BALANCING ============== 7924.11 LDB: Largest compute 7026 load 0.030809 is 15.8% of average load 0.195575 LDB: Average compute 0.004388 is 2.2% of average load 0.195575 LDB: TIME 7924.12 LOAD: AVG 0.195575 MAX 0.212666 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.715 MB LDB: TIME 7924.12 LOAD: AVG 0.195575 MAX 0.212666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 7924.12 LOAD: AVG 0.195575 MAX 0.212666 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 7924.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7924.12 PRESSURE: 2504400 54.486 8.55378 73.1109 8.55296 335.398 117.161 73.1103 117.16 -141.657 GPRESSURE: 2504400 93.798 118.988 68.8539 -109.822 419.845 132.453 168.369 98.4753 -208.799 PRESSAVG: 2504400 -38.8117 22.2593 40.8882 22.2593 -6.99629 38.0566 40.8882 38.0567 -9.28076 GPRESSAVG: 2504400 -38.9915 22.6466 39.6352 20.2272 -4.63851 37.6248 44.0796 38.3125 -11.6549 TIMING: 2504400 CPU: 7911.91, 0.00320633/step Wall: 7911.91, 0.00320633/step, 2.2227 hours remaining, 237.183594 MB of memory in use. ENERGY: 2504400 3911.1119 20541.5322 14423.9519 238.3157 -203006.9666 2522.3736 0.0000 0.0000 51978.6049 -109391.0763 298.7218 -161369.6812 -109031.1384 299.0723 82.7422 101.6147 760902.3284 -18.3629 -18.4283 PRESSURE: 2504600 36.9762 -186.358 293.729 -186.357 242.442 153.164 293.729 153.164 -197.99 GPRESSURE: 2504600 87.837 -87.5105 204.622 -103.489 278.823 109.021 217.498 22.117 -193.067 PRESSAVG: 2504600 -34.8879 -21.1944 -34.2762 -21.1944 15.5607 -24.8421 -34.2762 -24.8421 12.5114 GPRESSAVG: 2504600 -35.0286 -20.8273 -34.7859 -20.0198 13.4724 -25.1073 -35.6114 -27.1889 15.6529 TIMING: 2504600 CPU: 7912.53, 0.00314614/step Wall: 7912.53, 0.00314614/step, 2.1808 hours remaining, 237.386719 MB of memory in use. ENERGY: 2504600 3988.2924 20476.2183 14427.8668 250.3543 -203428.0665 2777.4795 0.0000 0.0000 52057.9601 -109449.8950 299.1778 -161507.8551 -109086.0861 298.9610 27.1426 57.8643 762264.7508 -2.2719 -1.9678 PRESSURE: 2504800 -122.648 -78.9166 -236.994 -78.9168 -161.988 5.10889 -236.994 5.10973 -28.5787 GPRESSURE: 2504800 -113.713 -126.193 -238.646 -46.5302 -119.774 -66.8873 -285.063 34.6463 -4.88191 PRESSAVG: 2504800 -30.399 3.95908 0.128897 3.95902 -25.5257 -22.6082 0.128871 -22.6083 6.394 GPRESSAVG: 2504800 -29.3074 5.05212 -0.707261 5.47847 -25.0473 -23.2102 -0.455669 -21.0578 4.54644 TIMING: 2504800 CPU: 7913.16, 0.00313314/step Wall: 7913.16, 0.00313314/step, 2.17161 hours remaining, 237.386719 MB of memory in use. ENERGY: 2504800 3994.0278 20557.4453 14390.5547 259.8277 -202930.6648 2674.0697 0.0000 0.0000 51743.3628 -109311.3768 297.3698 -161054.7396 -108966.8543 298.7413 -104.4048 -79.4561 763711.8255 -16.5102 -16.6027 PRESSURE: 2505000 140.652 64.431 -210.559 64.4306 -126.23 -6.31591 -210.559 -6.31703 -247.556 GPRESSURE: 2505000 112.848 -9.44183 -195.958 62.6121 -85.6807 34.736 -187.62 76.162 -184.528 PRESSAVG: 2505000 72.4865 -5.70048 -33.6 -5.70043 1.89643 -4.93427 -33.6 -4.93435 14.6448 GPRESSAVG: 2505000 71.7574 -7.58933 -31.2209 -6.79552 1.97942 -3.77856 -33.2765 -6.29395 14.8525 TIMING: 2505000 CPU: 7913.79, 0.00315093/step Wall: 7913.79, 0.00315093/step, 2.18377 hours remaining, 237.386719 MB of memory in use. ENERGY: 2505000 4032.6042 20452.1783 14431.0549 247.2006 -203064.8552 2588.7200 0.0000 0.0000 52029.6206 -109283.4767 299.0149 -161313.0973 -108917.2129 299.3337 -77.7111 -52.4537 763632.6633 29.6759 29.5298 PRESSURE: 2505200 -258.387 -98.1489 -64.1599 -98.1485 -240.897 -129.156 -64.1606 -129.156 -445.7 GPRESSURE: 2505200 -236.223 -117.774 -4.92317 -114.416 -174.591 -153.303 -67.4102 -159.623 -457.362 PRESSAVG: 2505200 -46.5022 -31.8565 -43.9019 -31.8565 -41.4622 -8.7408 -43.9019 -8.74083 6.23635 GPRESSAVG: 2505200 -46.1588 -30.137 -45.0553 -33.3869 -42.33 -8.96088 -42.8996 -8.28273 7.05432 TIMING: 2505200 CPU: 7914.42, 0.00315439/step Wall: 7914.42, 0.00315439/step, 2.18599 hours remaining, 237.386719 MB of memory in use. ENERGY: 2505200 4025.1573 20560.2750 14406.0209 235.8749 -203448.6478 2764.1902 0.0000 0.0000 52058.9771 -109398.1524 299.1837 -161457.1295 -109032.6959 299.5317 -314.9946 -289.3920 765178.9517 -27.2427 -27.1448 PRESSURE: 2505400 -90.677 -70.3569 172.007 -70.3569 -477.432 -76.0275 172.007 -76.0279 -227.971 GPRESSURE: 2505400 -26.9691 -111.466 180.723 -52.9409 -341.17 -13.9577 206.554 43.7875 -343.944 PRESSAVG: 2505400 8.23665 -16.9281 -73.1137 -16.9281 15.8976 25.2332 -73.1137 25.2333 18.4072 GPRESSAVG: 2505400 8.45405 -18.4706 -72.6209 -16.8624 17.5389 26.2479 -75.6183 25.0031 16.4928 TIMING: 2505400 CPU: 7915.05, 0.00314143/step Wall: 7915.05, 0.00314143/step, 2.17684 hours remaining, 237.386719 MB of memory in use. ENERGY: 2505400 4011.2035 20491.9366 14377.8266 252.9032 -203216.0411 2464.7490 0.0000 0.0000 52153.4738 -109463.9484 299.7267 -161617.4222 -109105.8912 298.7060 -265.3600 -237.3612 763050.3620 14.1805 14.1619 PRESSURE: 2505600 132.652 -56.7571 -45.1909 -56.7574 302.787 117.138 -45.1896 117.138 13.7991 GPRESSURE: 2505600 114.526 -122.753 -121.576 -92.4275 317.618 12.0726 82.5455 210.816 115.449 PRESSAVG: 2505600 33.9823 3.33626 -44.9882 3.33626 -22.5363 25.2292 -44.9882 25.2293 12.1148 GPRESSAVG: 2505600 34.6298 2.41608 -44.0875 5.77218 -23.7278 23.1005 -44.871 25.9218 13.597 TIMING: 2505600 CPU: 7915.68, 0.00313194/step Wall: 7915.68, 0.00313194/step, 2.17009 hours remaining, 237.386719 MB of memory in use. ENERGY: 2505600 3937.6420 20506.7905 14428.1872 263.6796 -203251.2643 2797.9404 0.0000 0.0000 51946.4811 -109370.5434 298.5371 -161317.0246 -109017.8472 299.0388 149.7463 182.5308 762823.4769 7.8536 8.1663 PRESSURE: 2505800 44.3376 -156.53 -34.7014 -156.53 290.492 20.0035 -34.7014 20.0021 79.3445 GPRESSURE: 2505800 26.4394 -157.306 -19.7809 -236.466 369.799 2.93042 61.7398 74.6278 104.2 PRESSAVG: 2505800 -15.3272 -35.761 -14.4449 -35.7609 48.2977 5.02081 -14.445 5.02085 -8.02099 GPRESSAVG: 2505800 -16.7088 -33.1639 -16.252 -38.8992 49.5517 5.71326 -11.1234 5.44034 -8.001 TIMING: 2505800 CPU: 7916.31, 0.00315349/step Wall: 7916.31, 0.00315349/step, 2.18484 hours remaining, 237.386719 MB of memory in use. ENERGY: 2505800 4011.3884 20380.5777 14450.0371 239.6737 -202920.3522 2615.7334 0.0000 0.0000 51841.9595 -109380.9825 297.9365 -161222.9420 -109020.9293 299.0336 138.0579 166.8127 763650.3235 8.3165 8.2807 PRESSURE: 2506000 216.931 -45.4283 -24.1372 -45.428 -32.9833 109.042 -24.1371 109.043 -81.1377 GPRESSURE: 2506000 97.0929 28.8611 -100.919 -0.0124104 77.932 138.974 -75.5049 138.91 2.55286 PRESSAVG: 2506000 -23.6803 23.0723 19.1276 23.0723 -1.49658 19.157 19.1277 19.157 6.50344 GPRESSAVG: 2506000 -23.0916 21.99 20.0223 25.46 -1.96343 19.9319 17.1601 18.717 5.83124 TIMING: 2506000 CPU: 7916.94, 0.00316268/step Wall: 7916.94, 0.00316268/step, 2.19103 hours remaining, 237.386719 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: 2506000 3932.7436 20484.9331 14415.7834 233.0549 -202972.7824 2387.0928 0.0000 0.0000 52025.4533 -109493.7213 298.9910 -161519.1746 -109130.6467 299.0825 34.2699 59.1926 763887.6347 -6.2245 -6.4079 PRESSURE: 2506200 -119.784 -41.1731 72.7168 -41.1735 -121.594 56.8044 72.7169 56.8045 145.808 GPRESSURE: 2506200 -136.781 64.8369 98.8857 -181.606 -38.5163 68.5096 39.3786 52.3789 173.034 PRESSAVG: 2506200 1.93299 -10.2428 14.9494 -10.2427 -31.5604 13.6241 14.9494 13.624 1.23382 GPRESSAVG: 2506200 2.36349 -10.2299 15.7856 -11.8669 -31.756 14.1254 13.6345 11.7208 0.818349 TIMING: 2506200 CPU: 7917.57, 0.00315742/step Wall: 7917.57, 0.00315742/step, 2.18722 hours remaining, 237.386719 MB of memory in use. ENERGY: 2506200 3996.7448 20455.5606 14443.7466 269.9277 -203616.1401 2963.4127 0.0000 0.0000 52196.6768 -109290.0708 299.9750 -161486.7476 -108936.7760 298.6675 -31.8568 -0.7546 762788.8835 -9.4645 -9.5247 PRESSURE: 2506400 19.4342 -357.687 -109.766 -357.686 329.934 -82.0562 -109.766 -82.0545 -93.0467 GPRESSURE: 2506400 87.2018 -334.72 -126.941 -257.645 298.563 -66.1376 -94.8894 -42.0798 -30.6795 PRESSAVG: 2506400 1.17705 -4.21563 17.1065 -4.21563 -33.3931 -8.81475 17.1065 -8.81472 -13.822 GPRESSAVG: 2506400 0.755005 -5.15524 16.9078 -2.83354 -33.4149 -10.2025 15.9455 -8.35211 -12.9929 TIMING: 2506400 CPU: 7918.21, 0.00317204/step Wall: 7918.21, 0.00317204/step, 2.19717 hours remaining, 237.386719 MB of memory in use. ENERGY: 2506400 3896.4532 20422.8640 14437.5851 264.4482 -203214.9381 2843.8681 0.0000 0.0000 52125.8535 -109223.8661 299.5680 -161349.7196 -108858.4669 299.2167 85.4404 118.3617 761503.4723 -15.3460 -15.2176 PRESSURE: 2506600 65.9103 -125.845 -2.42532 -125.845 -221.487 -109.391 -2.42567 -109.393 -227.908 GPRESSURE: 2506600 162.926 -123.891 68.0071 -196.168 -220.39 -184.914 115.139 -48.9504 -237.779 PRESSAVG: 2506600 6.7544 -36.7019 -0.420018 -36.7018 33.3288 -29.4804 -0.420009 -29.4804 -12.8015 GPRESSAVG: 2506600 5.97723 -36.2123 -0.988366 -35.4181 33.8442 -29.9654 4.05663 -28.1219 -12.8844 TIMING: 2506600 CPU: 7918.84, 0.00317471/step Wall: 7918.84, 0.00317471/step, 2.19884 hours remaining, 237.386719 MB of memory in use. ENERGY: 2506600 3997.4244 20458.8484 14421.1675 237.4848 -203096.3043 2510.1331 0.0000 0.0000 52206.3493 -109264.8968 300.0306 -161471.2461 -108903.0736 299.0496 -127.8284 -98.4144 761839.2477 9.0939 8.9790 PRESSURE: 2506800 113.16 40.6321 83.9399 40.633 395.312 41.8029 83.9393 41.803 125.98 GPRESSURE: 2506800 81.7509 75.4055 121.916 -11.7271 422.644 143.401 13.1556 102.526 211.658 PRESSAVG: 2506800 -6.87221 -68.1579 -49.584 -68.1579 13.4712 -50.6433 -49.584 -50.6434 3.62549 GPRESSAVG: 2506800 -6.217 -67.5021 -50.5181 -70.4601 12.7177 -49.1465 -52.5453 -49.5591 4.01311 TIMING: 2506800 CPU: 7919.48, 0.00317704/step Wall: 7919.48, 0.00317704/step, 2.20028 hours remaining, 237.386719 MB of memory in use. ENERGY: 2506800 4013.2382 20443.6958 14425.0037 258.9212 -203618.7959 2900.5335 0.0000 0.0000 52350.5167 -109226.8868 300.8591 -161577.4035 -108860.7269 299.1511 211.4841 238.6845 762233.0780 3.4081 3.5046 PRESSURE: 2507000 89.6323 200.668 -69.0099 200.668 177.609 187.725 -69.0107 187.726 -57.0582 GPRESSURE: 2507000 183.999 181.146 2.95383 130.131 163.914 142.147 -110.915 31.0262 -47.877 PRESSAVG: 2507000 -26.3652 -17.1302 15.2078 -17.1302 2.84957 43.4809 15.2078 43.4809 17.8598 GPRESSAVG: 2507000 -25.6915 -15.6535 16.6148 -16.9869 3.33528 43.8282 14.5996 41.0801 17.2815 TIMING: 2507000 CPU: 7920.11, 0.00315434/step Wall: 7920.11, 0.00315433/step, 2.18438 hours remaining, 237.386719 MB of memory in use. ENERGY: 2507000 4000.9900 20521.6770 14405.4702 258.3376 -203629.1823 3074.5201 0.0000 0.0000 52119.6798 -109248.5077 299.5325 -161368.1874 -108885.6491 299.2876 70.0611 100.0121 762585.5888 -1.8853 -1.6916 PRESSURE: 2507200 -126.013 183.961 -221.189 183.961 -150.997 187.516 -221.189 187.516 261.136 GPRESSURE: 2507200 -83.9127 72.6498 -241.571 94.6405 -48.6145 169.62 -198.099 113.214 187.464 PRESSAVG: 2507200 37.0841 54.1569 18.7933 54.1568 -7.83291 -4.94175 18.7933 -4.94173 9.91154 GPRESSAVG: 2507200 36.5195 52.235 17.5167 54.9178 -7.11095 -6.96358 20.9324 -5.27785 9.66482 TIMING: 2507200 CPU: 7920.74, 0.00315809/step Wall: 7920.74, 0.00315809/step, 2.1868 hours remaining, 237.386719 MB of memory in use. ENERGY: 2507200 4058.8630 20451.9233 14376.2564 249.8798 -203511.2335 2685.4680 0.0000 0.0000 52186.9927 -109501.8504 299.9194 -161688.8431 -109144.0297 299.2523 -5.2913 18.3121 761692.5102 13.0543 13.0245 PRESSURE: 2507400 106.929 -271.3 85.4358 -271.3 -169.986 64.9957 85.4356 64.9953 422.857 GPRESSURE: 2507400 127.842 -286.792 128.553 -158.551 -61.8017 -33.7616 65.7052 -14.0657 391.415 PRESSAVG: 2507400 60.5489 14.628 -38.189 14.628 -31.8384 -11.58 -38.189 -11.58 1.69076 GPRESSAVG: 2507400 59.4863 15.5768 -37.6689 15.7266 -31.3716 -10.8069 -39.1835 -9.30643 2.27317 TIMING: 2507400 CPU: 7921.37, 0.0031745/step Wall: 7921.37, 0.0031745/step, 2.19799 hours remaining, 237.386719 MB of memory in use. ENERGY: 2507400 3976.8674 20506.8457 14374.1731 223.0719 -203482.8417 2820.4174 0.0000 0.0000 52043.9917 -109537.4744 299.0975 -161581.4661 -109178.9585 299.0898 119.9334 152.4853 762236.4770 10.1338 10.1293 PRESSURE: 2507600 -321.086 97.7368 -39.9553 97.7369 151.087 -279.673 -39.9555 -279.674 88.3944 GPRESSURE: 2507600 -265.065 88.9824 122.411 44.5343 154.595 -292.601 -70.9987 -204.575 106.57 PRESSAVG: 2507600 33.906 41.8759 -68.2439 41.8759 -75.9316 -43.2705 -68.2439 -43.2705 17.0019 GPRESSAVG: 2507600 35.7121 41.3716 -68.2581 40.7168 -77.3437 -42.7058 -70.2645 -44.7773 16.421 TIMING: 2507600 CPU: 7922, 0.00314971/step Wall: 7922, 0.00314971/step, 2.18065 hours remaining, 237.386719 MB of memory in use. ENERGY: 2507600 3952.3832 20619.7335 14470.8571 253.6854 -203537.1842 2644.5548 0.0000 0.0000 52282.4917 -109313.4786 300.4682 -161595.9703 -108951.7386 299.0805 -27.2016 -1.2999 760781.0318 -8.3412 -8.4035 PRESSURE: 2507800 -239.77 -110.068 -131.588 -110.069 213.236 -69.7931 -131.588 -69.7921 -396.078 GPRESSURE: 2507800 -79.2488 -138.595 -145.396 -34.8749 93.0872 21.9268 58.5305 -61.3165 -351.554 PRESSAVG: 2507800 -3.70739 -39.8549 3.25095 -39.8549 -15.5165 -28.4811 3.25095 -28.4812 13.3956 GPRESSAVG: 2507800 -4.01359 -40.747 4.4987 -37.9352 -15.8916 -28.5677 5.94334 -27.4917 14.0692 TIMING: 2507800 CPU: 7922.63, 0.00314681/step Wall: 7922.63, 0.00314681/step, 2.17847 hours remaining, 237.386719 MB of memory in use. ENERGY: 2507800 4063.9929 20629.9972 14425.9460 267.0874 -203568.7114 2753.8032 0.0000 0.0000 52316.8937 -109110.9910 300.6659 -161427.8847 -108748.0523 299.7213 -140.8705 -112.5719 761326.6462 -1.9428 -1.9453 PRESSURE: 2508000 -17.0014 25.0634 179.18 25.0623 -236.531 -76.7025 179.181 -76.7028 -175.814 GPRESSURE: 2508000 -29.4239 -23.5413 150.601 -46.1839 -113.448 -64.739 227.509 -12.2925 -211.22 PRESSAVG: 2508000 -36.6015 -7.63716 -4.36684 -7.6372 13.1074 -5.94084 -4.36678 -5.94084 -20.7531 GPRESSAVG: 2508000 -36.5 -4.67839 -2.97616 -10.7634 12.084 -4.71705 -5.06938 -6.425 -20.0173 TIMING: 2508000 CPU: 7923.26, 0.00313935/step Wall: 7923.26, 0.00313935/step, 2.17313 hours remaining, 237.386719 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: 2508000 4005.5935 20634.2728 14423.4481 238.8002 -204082.4283 3005.7766 0.0000 0.0000 52642.3116 -109132.2254 302.5361 -161774.5370 -108758.8017 300.2976 -143.1153 -118.0306 761836.3339 -14.7491 -14.8111 PRESSURE: 2508200 146.268 -233.391 -10.9452 -233.392 332.759 -127.18 -10.9447 -127.18 129.507 GPRESSURE: 2508200 155.819 -172.387 -119.542 -227.89 364.19 -166.919 118.317 -43.4425 171.479 PRESSAVG: 2508200 47.8321 31.3128 -5.13276 31.3128 -39.1544 -16.702 -5.13274 -16.702 7.58046 GPRESSAVG: 2508200 47.5011 30.714 -7.3782 32.0469 -37.6883 -17.7908 -5.48651 -17.5403 6.86186 TIMING: 2508200 CPU: 7923.89, 0.00313345/step Wall: 7923.89, 0.00313345/step, 2.16887 hours remaining, 237.386719 MB of memory in use. ENERGY: 2508200 4099.2485 20605.7099 14371.6079 264.9681 -203583.7555 2727.0112 0.0000 0.0000 52191.5040 -109323.7059 299.9453 -161515.2100 -108959.2604 299.7969 202.8447 230.4958 761239.3906 5.4194 5.5582 LDB: ============= START OF LOAD BALANCING ============== 7936.42 LDB: ============== END OF LOAD BALANCING =============== 7936.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7936.42 LDB: ============= START OF LOAD BALANCING ============== 7936.73 LDB: Largest compute 7078 load 0.029720 is 15.2% of average load 0.195454 LDB: Average compute 0.004377 is 2.2% of average load 0.195454 LDB: TIME 7936.74 LOAD: AVG 0.195454 MAX 0.211667 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.215 MB LDB: TIME 7936.74 LOAD: AVG 0.195454 MAX 0.211667 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: TIME 7936.74 LOAD: AVG 0.195454 MAX 0.211667 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: ============== END OF LOAD BALANCING =============== 7936.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7936.74 PRESSURE: 2508400 -42.3525 260.801 56.9808 260.801 -180.664 -93.238 56.9799 -93.238 -176.958 GPRESSURE: 2508400 -25.0616 216.216 74.9029 180.46 -113.079 -99.8778 75.6861 -35.0192 -188.429 PRESSAVG: 2508400 32.3446 -27.9007 -32.3158 -27.9007 -28.1533 -10.6563 -32.3158 -10.6562 12.6149 GPRESSAVG: 2508400 32.4149 -28.3202 -31.9657 -28.5897 -28.9457 -11.0407 -34.3115 -9.73729 12.4306 TIMING: 2508400 CPU: 7924.53, 0.00319629/step Wall: 7924.53, 0.00319629/step, 2.21219 hours remaining, 236.414062 MB of memory in use. ENERGY: 2508400 3940.3990 20777.3783 14426.1038 248.1868 -203243.0812 2507.6176 0.0000 0.0000 52074.8773 -109268.5184 299.2750 -161343.3957 -108897.5350 299.7181 -133.3249 -108.8565 760835.2842 5.6020 5.2999 PRESSURE: 2508600 -390.735 -18.9385 128.975 -18.9392 -571.247 -134.224 128.975 -134.224 -693.951 GPRESSURE: 2508600 -415.912 33.7963 127.015 -125.9 -508.805 -160.034 124.219 -186.69 -655.82 PRESSAVG: 2508600 0.0679331 -18.173 15.6325 -18.173 -15.6069 23.3253 15.6325 23.3254 27.9849 GPRESSAVG: 2508600 -0.700407 -20.6065 15.6207 -16.4901 -14.6227 22.6209 19.5855 23.1791 27.737 TIMING: 2508600 CPU: 7925.16, 0.00316095/step Wall: 7925.16, 0.00316095/step, 2.18755 hours remaining, 236.554688 MB of memory in use. ENERGY: 2508600 4049.4202 20559.9963 14389.7115 254.9401 -202996.7700 2292.3021 0.0000 0.0000 52020.8748 -109429.5251 298.9647 -161450.3999 -109057.8434 299.2530 -551.9777 -526.8457 762647.6122 4.1486 4.1380 PRESSURE: 2508800 206.45 -179.227 -199.966 -179.227 -341.364 -187.937 -199.967 -187.937 -292.362 GPRESSURE: 2508800 187.02 -98.7013 -188.648 -95.7277 -298.218 -127.21 -135.812 -81.6481 -248.319 PRESSAVG: 2508800 32.2175 -26.7859 6.88678 -26.7859 -37.3103 -26.9131 6.88678 -26.9131 -10.0278 GPRESSAVG: 2508800 32.2407 -24.8412 6.2121 -26.7725 -37.71 -25.3702 4.65687 -25.842 -9.63621 TIMING: 2508800 CPU: 7925.79, 0.00315595/step Wall: 7925.79, 0.00315595/step, 2.18392 hours remaining, 236.554688 MB of memory in use. ENERGY: 2508800 4096.9665 20648.8596 14423.9777 252.5134 -203574.8222 2574.6415 0.0000 0.0000 52153.2011 -109424.6625 299.7252 -161577.8636 -109067.6590 299.0683 -142.4252 -119.8392 760814.6769 -5.0402 -5.0351 PRESSURE: 2509000 -397.964 -82.225 -142.299 -82.2249 -16.0315 141.282 -142.299 141.283 -279.29 GPRESSURE: 2509000 -273.07 -153.143 -208.199 -126.372 -7.51478 125.47 -73.2893 83.073 -334.685 PRESSAVG: 2509000 -19.6818 -39.074 0.441603 -39.0739 46.4651 -11.1177 0.44153 -11.1177 6.80532 GPRESSAVG: 2509000 -19.7763 -38.0464 0.92589 -40.6084 46.168 -11.6596 -0.617266 -10.8284 7.06595 TIMING: 2509000 CPU: 7926.42, 0.00314058/step Wall: 7926.42, 0.00314058/step, 2.17311 hours remaining, 236.621094 MB of memory in use. ENERGY: 2509000 4032.7428 20437.7166 14423.3219 237.0257 -203528.1976 2726.3611 0.0000 0.0000 51986.3787 -109684.6509 298.7664 -161671.0296 -109317.3022 299.1916 -231.0953 -205.0900 762722.3480 11.1962 11.1526 PRESSURE: 2509200 310.567 -32.7372 -72.5634 -32.7368 253.149 -108.969 -72.5644 -108.971 93.6086 GPRESSURE: 2509200 328.674 -10.0756 -8.68719 75.5648 249.065 -129.886 -14.8306 11.8152 164.727 PRESSAVG: 2509200 -71.0536 -38.6865 15.7109 -38.6865 38.6395 18.6721 15.7109 18.6721 -4.16738 GPRESSAVG: 2509200 -71.1255 -40.3875 14.2582 -37.8332 39.4043 18.0119 16.3414 16.183 -5.13595 TIMING: 2509200 CPU: 7927.05, 0.00314378/step Wall: 7927.05, 0.00314378/step, 2.17515 hours remaining, 236.621094 MB of memory in use. ENERGY: 2509200 3948.3318 20584.9869 14484.5248 244.1951 -203810.5252 2893.6827 0.0000 0.0000 52221.1371 -109433.6669 300.1156 -161654.8040 -109079.7415 298.8584 219.1082 247.4887 761326.9693 -12.1938 -12.2857 PRESSURE: 2509400 -101.124 171.126 76.5281 171.126 -367.52 44.2498 76.5289 44.2507 -39.1585 GPRESSURE: 2509400 -103.944 150.531 174.329 164.26 -391.816 52.7425 23.8583 102.497 75.318 PRESSAVG: 2509400 -1.96131 -9.63939 39.9092 -9.63942 37.1541 -0.282388 39.9091 -0.282335 -6.77745 GPRESSAVG: 2509400 -3.1777 -9.81491 42.2647 -11.2803 37.9508 1.35072 39.6413 2.31411 -6.32656 TIMING: 2509400 CPU: 7927.68, 0.00314175/step Wall: 7927.68, 0.00314175/step, 2.17356 hours remaining, 236.621094 MB of memory in use. ENERGY: 2509400 3984.7371 20474.7332 14435.0908 247.1115 -202959.7785 2474.8019 0.0000 0.0000 52053.2833 -109290.0208 299.1509 -161343.3041 -108927.6766 299.3309 -169.2673 -140.1473 764435.2435 9.4718 9.4822 PRESSURE: 2509600 -24.632 115.687 -72.5147 115.688 -99.8488 126.524 -72.5141 126.525 301.083 GPRESSURE: 2509600 31.1221 131.253 -12.419 -32.2948 -71.0967 132.532 -5.39271 -33.9591 296.406 PRESSAVG: 2509600 -42.0222 -36.2135 25.9069 -36.2135 54.8609 35.3497 25.9069 35.3497 31.8361 GPRESSAVG: 2509600 -41.9265 -36.4451 25.2534 -33.9819 53.9056 34.9563 26.036 34.6055 32.3565 TIMING: 2509600 CPU: 7928.31, 0.00314771/step Wall: 7928.31, 0.00314771/step, 2.17752 hours remaining, 236.621094 MB of memory in use. ENERGY: 2509600 3972.6201 20820.9432 14409.5880 222.6408 -203499.8924 2704.6821 0.0000 0.0000 51944.2494 -109425.1688 298.5243 -161369.4182 -109066.0337 299.5066 58.8674 85.4770 762685.3909 14.8916 14.7785 PRESSURE: 2509800 477.929 -145.941 -106.711 -145.942 127.796 -168.434 -106.711 -168.434 -298.378 GPRESSURE: 2509800 476.093 -163.156 -194.221 -119.478 101.736 -98.2728 -124.46 -65.1952 -188.478 PRESSAVG: 2509800 -42.3383 -52.0347 -70.0769 -52.0347 57.6919 35.0275 -70.077 35.0275 -10.8031 GPRESSAVG: 2509800 -42.3334 -52.419 -69.7023 -51.8018 58.0701 33.5565 -69.6614 32.811 -10.9635 TIMING: 2509800 CPU: 7928.94, 0.00316275/step Wall: 7928.94, 0.00316275/step, 2.18774 hours remaining, 236.621094 MB of memory in use. ENERGY: 2509800 3992.4869 20825.6213 14407.8272 243.6673 -203921.8894 2937.9543 0.0000 0.0000 52035.2578 -109479.0746 299.0473 -161514.3324 -109120.5709 299.2754 102.4491 129.7839 761292.4730 1.5168 1.5910 PRESSURE: 2510000 -240.418 -107.569 92.4542 -107.568 -115.588 -4.13317 92.4545 -4.13298 -255.376 GPRESSURE: 2510000 -198.111 -49.5198 135.739 44.0708 -80.147 22.3326 -107.846 72.262 -237.781 PRESSAVG: 2510000 8.47021 -41.6031 -39.0761 -41.6031 18.3049 -17.4344 -39.0761 -17.4343 19.3578 GPRESSAVG: 2510000 10.3012 -38.4532 -38.9763 -43.8477 15.5255 -15.2253 -41.1002 -16.4653 20.8218 TIMING: 2510000 CPU: 7929.57, 0.00313988/step Wall: 7929.57, 0.00313988/step, 2.17175 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: 2510000 3968.3218 20649.1823 14485.0148 240.6201 -203431.8335 2655.2673 0.0000 0.0000 52070.7599 -109362.6673 299.2514 -161433.4272 -109001.7468 299.4531 -203.7942 -172.0130 762818.3103 15.3776 15.5495 PRESSURE: 2510200 -337.159 -14.9577 -58.0579 -14.9574 93.4416 -25.1653 -58.0591 -25.1659 71.5893 GPRESSURE: 2510200 -313.879 76.8655 -112.22 -20.9587 176.664 -129.373 21.9721 54.4161 50.4762 PRESSAVG: 2510200 -32.5285 -28.3768 -23.6741 -28.3766 68.8832 16.4054 -23.6741 16.4054 0.560884 GPRESSAVG: 2510200 -33.6115 -30.0491 -24.6694 -27.0644 72.1079 14.9111 -22.9208 15.6816 -1.91662 TIMING: 2510200 CPU: 7930.19, 0.00313765/step Wall: 7930.19, 0.00313765/step, 2.17003 hours remaining, 236.812500 MB of memory in use. ENERGY: 2510200 3999.1513 20694.6548 14357.7183 248.1779 -203616.4575 2864.6954 0.0000 0.0000 52221.0588 -109231.0011 300.1151 -161452.0599 -108863.1425 299.7079 -57.3759 -28.9129 762346.8797 12.3052 12.1932 PRESSURE: 2510400 -208.579 51.0534 -159.22 51.0536 -84.7056 78.0784 -159.218 78.0783 -298.585 GPRESSURE: 2510400 -143.646 106.432 -186.762 109.091 -42.0685 64.5136 37.6069 75.201 -325.9 PRESSAVG: 2510400 8.38603 -24.8576 -14.5993 -24.8575 24.9311 -23.4843 -14.5993 -23.4843 -0.642243 GPRESSAVG: 2510400 8.28437 -24.4451 -13.6271 -23.511 23.7598 -24.4467 -12.1525 -22.6645 0.718197 TIMING: 2510400 CPU: 7930.82, 0.00314057/step Wall: 7930.82, 0.00314057/step, 2.17188 hours remaining, 236.812500 MB of memory in use. ENERGY: 2510400 4005.4831 20817.3761 14375.6215 244.6984 -203099.1941 2403.2926 0.0000 0.0000 51912.5226 -109340.1998 298.3420 -161252.7224 -108965.1971 299.6960 -197.2897 -170.5381 762915.4188 10.8916 10.9208 PRESSURE: 2510600 -197.87 -21.4252 106.612 -21.4245 111.738 -9.29887 106.612 -9.30033 96.884 GPRESSURE: 2510600 -138.102 -15.5112 71.805 -61.9132 108.679 -6.79865 76.2771 70.5884 122.348 PRESSAVG: 2510600 21.4069 -85.7354 -31.2385 -85.7353 -3.98894 -52.2408 -31.2385 -52.2408 -14.9967 GPRESSAVG: 2510600 22.3678 -86.6624 -30.7829 -86.8714 -4.95067 -51.5314 -34.2014 -53.3216 -14.9455 TIMING: 2510600 CPU: 7931.45, 0.00313907/step Wall: 7931.45, 0.00313907/step, 2.17066 hours remaining, 236.824219 MB of memory in use. ENERGY: 2510600 4052.5656 20644.9422 14431.5952 250.5770 -203245.5146 2495.5539 0.0000 0.0000 51979.8272 -109390.4536 298.7288 -161370.2808 -109023.6216 299.3116 3.5841 30.9748 761636.5887 0.8071 0.8239 PRESSURE: 2510800 -525.717 62.4865 -73.7813 62.4861 124.795 -114.837 -73.7817 -114.836 -153.918 GPRESSURE: 2510800 -422.33 -26.7753 -16.9383 -32.2022 146.895 -199.07 -108.189 -106.757 -172.43 PRESSAVG: 2510800 12.6515 -21.1482 -0.556435 -21.1483 -10.283 -17.8316 -0.556419 -17.8317 7.67035 GPRESSAVG: 2510800 11.2326 -22.7561 -0.570085 -22.7447 -8.52223 -18.0361 -1.28258 -16.0962 7.84988 TIMING: 2510800 CPU: 7932.08, 0.00314972/step Wall: 7932.08, 0.00314972/step, 2.17786 hours remaining, 236.824219 MB of memory in use. ENERGY: 2510800 4006.7072 20524.3088 14414.3210 240.3634 -203215.9858 2417.5199 0.0000 0.0000 52080.6234 -109532.1420 299.3081 -161612.7654 -109164.4220 299.2037 -184.9465 -149.2883 762310.7112 3.3463 3.5201 PRESSURE: 2511000 -223.519 -101.85 60.9709 -101.85 -338.708 -148.347 60.9703 -148.348 -674.078 GPRESSURE: 2511000 -176.392 -82.6701 92.2363 -131.476 -297.42 -122.232 158.239 -279.801 -703.045 PRESSAVG: 2511000 -5.6546 -82.9999 31.0583 -82.9998 -14.0958 -31.2158 31.0583 -31.2158 3.7727 GPRESSAVG: 2511000 -4.75391 -81.6333 31.4808 -82.8551 -14.0125 -30.5229 32.1056 -33.3816 2.58555 TIMING: 2511000 CPU: 7932.72, 0.00318044/step Wall: 7932.72, 0.00318044/step, 2.19892 hours remaining, 236.824219 MB of memory in use. ENERGY: 2511000 4054.5305 20599.5038 14370.3157 238.6205 -203294.4079 2407.3009 0.0000 0.0000 52253.0677 -109371.0687 300.2991 -161624.1364 -109004.0370 299.4890 -412.1019 -392.2855 762239.4227 -5.3259 -5.3936 PRESSURE: 2511200 -50.6143 -154.183 -162.208 -154.183 -80.5167 -66.3051 -162.209 -66.3056 -2.06736 GPRESSURE: 2511200 3.37822 -59.8396 -139.513 -147.059 -85.3084 20.2679 33.7909 -28.7336 42.5101 PRESSAVG: 2511200 19.6614 -55.4903 35.1573 -55.4903 -10.3315 -1.63564 35.1573 -1.63569 -3.49018 GPRESSAVG: 2511200 19.942 -54.1816 36.253 -55.6743 -11.3248 -1.12052 36.9646 -2.40228 -2.88152 TIMING: 2511200 CPU: 7933.35, 0.00315364/step Wall: 7933.35, 0.00315364/step, 2.18021 hours remaining, 236.824219 MB of memory in use. ENERGY: 2511200 4005.0582 20774.0704 14390.1071 263.0522 -202923.4960 2228.4874 0.0000 0.0000 51974.4251 -109288.2955 298.6977 -161262.7206 -108935.9503 299.3439 -44.3994 -13.1400 762205.6841 1.9466 1.9119 PRESSURE: 2511400 71.3777 172.168 247.214 172.167 119.478 -44.5207 247.214 -44.5209 471.433 GPRESSURE: 2511400 200.463 147.535 133.227 62.0249 189.731 -116.543 304.179 37.2894 347.253 PRESSAVG: 2511400 -10.633 -17.5008 11.1167 -17.5008 -28.4571 5.77169 11.1167 5.77172 4.85631 GPRESSAVG: 2511400 -12.0432 -18.9508 8.59454 -15.5203 -28.0672 4.51178 9.95626 8.42818 5.21273 TIMING: 2511400 CPU: 7933.98, 0.00314644/step Wall: 7933.98, 0.00314644/step, 2.17506 hours remaining, 236.824219 MB of memory in use. ENERGY: 2511400 3961.9007 20602.3819 14393.8270 236.5734 -203638.2899 3136.4664 0.0000 0.0000 52066.8504 -109240.2900 299.2289 -161307.1405 -108879.3052 299.5435 220.7630 245.8155 762396.4670 -11.4113 -11.6326 PRESSURE: 2511600 -30.6065 -333.523 -149.58 -333.523 -23.6138 186.673 -149.58 186.673 338.673 GPRESSURE: 2511600 72.5151 -340.441 -180.843 -185.184 -31.8019 164.878 -196.31 178.089 305.296 PRESSAVG: 2511600 -4.79727 0.0846272 -39.347 0.0846455 4.31159 27.7252 -39.347 27.7253 22.5516 GPRESSAVG: 2511600 -3.9341 0.432949 -37.776 0.809423 4.41789 28.3692 -38.6674 25.4992 21.8034 TIMING: 2511600 CPU: 7934.61, 0.0031491/step Wall: 7934.61, 0.0031491/step, 2.17673 hours remaining, 236.824219 MB of memory in use. ENERGY: 2511600 4050.3265 20606.2299 14505.9436 248.2470 -203452.8353 2718.6274 0.0000 0.0000 52135.3254 -109188.1357 299.6224 -161323.4611 -108824.6576 299.4863 94.8174 115.3365 761891.1708 7.3553 7.4290 PRESSURE: 2511800 -165.546 -120.61 36.2381 -120.61 -99.6006 87.2787 36.2382 87.279 -184.505 GPRESSURE: 2511800 -89.1983 -71.4673 48.4841 -153.335 -28.9553 164.416 12.2638 26.0432 -240.508 PRESSAVG: 2511800 -19.5865 -3.46481 -59.0555 -3.46479 34.9238 -6.22138 -59.0555 -6.22135 -14.2048 GPRESSAVG: 2511800 -17.879 -2.62027 -60.118 -5.24772 33.8338 -6.78801 -59.1304 -6.59405 -14.4426 TIMING: 2511800 CPU: 7935.24, 0.0031579/step Wall: 7935.24, 0.0031579/step, 2.18263 hours remaining, 236.824219 MB of memory in use. ENERGY: 2511800 3963.2610 20503.9527 14468.7388 269.8243 -203530.8697 2867.6048 0.0000 0.0000 52224.2032 -109233.2848 300.1332 -161457.4881 -108862.3424 299.4287 -149.8838 -119.5539 762318.2852 0.3775 0.5041 PRESSURE: 2512000 -119.359 -26.1149 102.093 -26.1149 28.177 -168.615 102.094 -168.616 -41.3402 GPRESSURE: 2512000 -58.7615 -157.089 104.902 -64.4134 61.1979 -222.543 35.6821 -179.531 -51.6332 PRESSAVG: 2512000 -39.5537 -18.288 -42.3966 -18.288 49.1607 -21.5668 -42.3966 -21.5668 1.72746 GPRESSAVG: 2512000 -40.74 -18.1876 -40.6613 -18.6968 50.4553 -22.7308 -42.9655 -19.7955 1.7594 TIMING: 2512000 CPU: 7935.86, 0.00313726/step Wall: 7935.86, 0.00313726/step, 2.16819 hours remaining, 236.824219 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: 2512000 4044.3837 20640.4186 14510.6573 239.8309 -203105.5520 2448.0129 0.0000 0.0000 52266.6207 -108955.6278 300.3770 -161222.2485 -108587.9484 299.8867 -44.1741 -16.3989 761933.3430 3.7782 3.8249 PRESSURE: 2512200 183.875 132.182 -209.41 132.182 -216.849 94.2664 -209.41 94.2662 120.463 GPRESSURE: 2512200 177.552 90.5233 -227.581 265.094 -49.4421 62.9732 -241.985 109.79 48.7002 PRESSAVG: 2512200 -29.9397 -9.53492 -73.3699 -9.53495 32.1055 -14.7181 -73.37 -14.7181 6.24798 GPRESSAVG: 2512200 -30.0027 -11.6517 -73.1672 -7.54579 31.9788 -13.2849 -74.4662 -14.4353 6.4407 TIMING: 2512200 CPU: 7936.49, 0.00314558/step Wall: 7936.49, 0.00314558/step, 2.17377 hours remaining, 236.824219 MB of memory in use. ENERGY: 2512200 4071.8898 20618.1877 14467.1680 227.9794 -203494.3394 2632.2342 0.0000 0.0000 52459.3568 -109017.5233 301.4846 -161476.8801 -108660.2758 300.8357 29.1628 58.9368 760012.7060 2.8046 2.8056 LDB: ============= START OF LOAD BALANCING ============== 7949.02 LDB: ============== END OF LOAD BALANCING =============== 7949.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7949.03 LDB: ============= START OF LOAD BALANCING ============== 7949.34 LDB: Largest compute 7035 load 0.029721 is 15.2% of average load 0.195490 LDB: Average compute 0.004372 is 2.2% of average load 0.195490 LDB: TIME 7949.35 LOAD: AVG 0.19549 MAX 0.211499 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.227 MB LDB: TIME 7949.35 LOAD: AVG 0.19549 MAX 0.211499 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: TIME 7949.35 LOAD: AVG 0.19549 MAX 0.211499 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: ============== END OF LOAD BALANCING =============== 7949.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7949.35 PRESSURE: 2512400 21.0673 -183.804 207.813 -183.804 -524.052 160.917 207.812 160.916 271.318 GPRESSURE: 2512400 21.3797 -139.545 211.359 -190.191 -377.279 71.3553 326.252 251.264 202.576 PRESSAVG: 2512400 14.1274 -24.9864 -29.4366 -24.9864 -61.9198 -15.7178 -29.4366 -15.7178 -2.82434 GPRESSAVG: 2512400 14.0654 -22.6973 -31.5829 -27.0072 -61.425 -14.8057 -28.1185 -16.3461 -3.07478 TIMING: 2512400 CPU: 7937.14, 0.00321473/step Wall: 7937.14, 0.00321473/step, 2.22138 hours remaining, 235.386719 MB of memory in use. ENERGY: 2512400 4094.5464 20546.2493 14428.6426 250.8442 -203198.6904 2635.3387 0.0000 0.0000 52331.3854 -108911.6838 300.7492 -161243.0692 -108545.7170 300.2092 -77.2222 -51.1075 761183.3595 -16.8723 -16.8115 PRESSURE: 2512600 126.886 -38.0415 -9.03905 -38.0417 89.6978 140.597 -9.03885 140.596 311.21 GPRESSURE: 2512600 200.076 20.0148 12.7838 32.5834 40.9796 115.568 93.2491 -23.3598 368.855 PRESSAVG: 2512600 52.9162 -67.0716 16.193 -67.0716 -55.3491 29.8307 16.1929 29.8307 -18.1756 GPRESSAVG: 2512600 52.295 -67.0679 16.0703 -65.5798 -55.4212 28.9464 18.3687 29.9872 -17.286 TIMING: 2512600 CPU: 7937.78, 0.003199/step Wall: 7937.78, 0.003199/step, 2.21033 hours remaining, 235.589844 MB of memory in use. ENERGY: 2512600 3900.1793 20694.9481 14453.3130 264.0246 -203189.8034 2718.8390 0.0000 0.0000 52110.4906 -109048.0088 299.4797 -161158.4994 -108677.9568 300.2013 175.9312 203.3037 762267.7070 -6.8695 -6.8041 PRESSURE: 2512800 -207.85 -39.0809 -88.3024 -39.0819 -48.9509 -8.33813 -88.3029 -8.3386 23.7123 GPRESSURE: 2512800 -151.309 -59.4941 -57.6242 -20.8775 -40.5371 46.0418 -119.889 -109.913 54.3362 PRESSAVG: 2512800 25.2651 -59.7746 -51.6909 -59.7746 -27.6878 -22.1254 -51.6909 -22.1254 -2.1316 GPRESSAVG: 2512800 27.6908 -59.7906 -51.5105 -59.6164 -28.6304 -22.6425 -52.2009 -23.604 -4.2355 TIMING: 2512800 CPU: 7938.41, 0.00315333/step Wall: 7938.41, 0.00315333/step, 2.1786 hours remaining, 235.589844 MB of memory in use. ENERGY: 2512800 3996.8600 20720.0683 14530.6018 251.8546 -203763.5423 2973.5962 0.0000 0.0000 52151.1922 -109139.3691 299.7136 -161290.5613 -108783.8093 299.6622 -77.6962 -45.8367 760075.6455 -1.5181 -1.7250 PRESSURE: 2513000 -23.2042 142.997 40.1183 142.997 -302.082 -224.527 40.118 -224.527 270.001 GPRESSURE: 2513000 12.5231 252.01 -13.3172 163.252 -233.064 -272.12 -108.299 -170.44 256.782 PRESSAVG: 2513000 0.479097 -13.274 5.61658 -13.274 2.88405 -35.5938 5.61657 -35.5938 -9.47323 GPRESSAVG: 2513000 -1.61521 -12.9821 4.88486 -12.0268 4.39201 -36.3025 5.25244 -33.6973 -8.3984 TIMING: 2513000 CPU: 7939.04, 0.00314749/step Wall: 7939.04, 0.00314749/step, 2.17439 hours remaining, 235.589844 MB of memory in use. ENERGY: 2513000 4046.2798 20425.3260 14426.7834 254.1223 -203026.4682 2575.2718 0.0000 0.0000 52174.8854 -109123.7994 299.8498 -161298.6848 -108766.9126 300.5595 -18.4286 12.0801 761157.7639 -2.0367 -1.8739 PRESSURE: 2513200 -39.5132 -113.609 90.6453 -113.609 -443.647 18.8208 90.6457 18.8212 327.862 GPRESSURE: 2513200 45.139 -24.254 132.466 -100.132 -362.273 70.2537 32.4219 105.364 251.335 PRESSAVG: 2513200 32.1598 -23.353 -16.4314 -23.353 -26.9385 -5.24513 -16.4313 -5.2451 -1.72803 GPRESSAVG: 2513200 32.2276 -23.8984 -15.535 -24.8626 -26.097 -5.52813 -19.5628 -3.00198 -2.82426 TIMING: 2513200 CPU: 7939.67, 0.00314686/step Wall: 7939.67, 0.00314686/step, 2.17378 hours remaining, 235.589844 MB of memory in use. ENERGY: 2513200 4031.7131 20626.1507 14530.2863 244.6793 -203595.9445 2984.7857 0.0000 0.0000 52392.3024 -108786.0270 301.0993 -161178.3294 -108431.1968 300.2655 -51.7662 -21.9332 761538.4070 1.1644 1.1021 PRESSURE: 2513400 70.116 -112.76 -10.8868 -112.76 116.445 178.083 -10.8871 178.083 178.682 GPRESSURE: 2513400 124.785 -87.6754 2.07084 -58.4061 81.0405 142.522 70.4602 203.292 240.427 PRESSAVG: 2513400 26.0275 -49.8446 -1.56458 -49.8446 -11.2728 -0.58166 -1.56461 -0.581648 -8.30049 GPRESSAVG: 2513400 26.3369 -49.0033 -0.908448 -49.648 -12.4525 -0.757191 1.32972 -2.95729 -7.15718 TIMING: 2513400 CPU: 7940.3, 0.00314926/step Wall: 7940.3, 0.00314926/step, 2.17526 hours remaining, 235.589844 MB of memory in use. ENERGY: 2513400 4043.3946 20503.8799 14465.9375 266.6933 -203188.6910 2755.2159 0.0000 0.0000 52205.3650 -108948.2049 300.0250 -161153.5700 -108584.8444 300.3422 121.7474 148.7508 760419.3077 2.1514 2.2424 PRESSURE: 2513600 138.028 51.7529 24.1028 51.7522 -80.2694 55.3395 24.1026 55.3376 -321.475 GPRESSURE: 2513600 153.918 -47.4297 -45.9599 -23.0804 -49.2194 55.9324 -79.4117 117.454 -275.959 PRESSAVG: 2513600 -17.8316 -77.6583 -1.38977 -77.6582 -1.31754 -4.65689 -1.3898 -4.65679 15.262 GPRESSAVG: 2513600 -16.6642 -75.6231 -3.30344 -80.2415 -2.49982 -3.94229 -3.78014 -5.50443 15.7075 TIMING: 2513600 CPU: 7940.93, 0.00315117/step Wall: 7940.93, 0.00315117/step, 2.17641 hours remaining, 235.589844 MB of memory in use. ENERGY: 2513600 4009.0300 20510.7162 14552.7263 245.8028 -203229.0271 2617.6525 0.0000 0.0000 52287.5259 -109005.5734 300.4971 -161293.0993 -108642.1622 300.6399 -87.9056 -57.0867 762474.1012 -1.2957 -1.1522 PRESSURE: 2513800 180.358 34.0624 -79.3457 34.063 -61.9683 56.4982 -79.3461 56.4973 -305.907 GPRESSURE: 2513800 233.129 -26.4367 -84.2618 1.83044 -79.1185 85.9932 -42.4978 4.62134 -271.768 PRESSAVG: 2513800 -15.8149 -46.0374 -19.6258 -46.0374 -34.0109 -13.3385 -19.6258 -13.3386 2.19289 GPRESSAVG: 2513800 -17.3695 -48.0329 -18.1113 -44.8539 -31.2967 -13.4566 -18.005 -11.3166 0.448948 TIMING: 2513800 CPU: 7941.56, 0.00315479/step Wall: 7941.56, 0.00315479/step, 2.17873 hours remaining, 235.589844 MB of memory in use. ENERGY: 2513800 3978.8007 20522.3334 14493.9942 261.2249 -203178.1095 2658.4906 0.0000 0.0000 52311.4644 -108951.8013 300.6347 -161263.2657 -108594.6408 300.4023 -62.5059 -39.2526 761042.0198 -15.8776 -16.0724 PRESSURE: 2514000 -98.7509 107.695 -63.4747 107.695 45.6104 -130.324 -63.4745 -130.324 -100.763 GPRESSURE: 2514000 -121.955 19.1419 -6.85001 73.5449 79.5039 -211.195 -204.776 -173.571 -24.2128 PRESSAVG: 2514000 -51.3152 -42.8512 -81.4949 -42.8513 31.6876 -25.6604 -81.4949 -25.6604 22.8941 GPRESSAVG: 2514000 -52.0827 -41.3803 -80.7898 -43.8886 30.3608 -24.327 -81.5913 -27.0478 24.1814 TIMING: 2514000 CPU: 7942.19, 0.00316224/step Wall: 7942.19, 0.00316224/step, 2.1837 hours remaining, 235.589844 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: 2514000 3916.4223 20640.7788 14457.5512 251.3915 -203303.3117 2741.1656 0.0000 0.0000 52326.7096 -108969.2925 300.7223 -161296.0022 -108609.4610 300.0338 -51.3013 -22.2212 762447.0647 1.0888 0.8198 PRESSURE: 2514200 -28.6382 -80.9435 20.3119 -80.9439 155.324 98.5789 20.3111 98.5782 140.291 GPRESSURE: 2514200 146.776 -140.992 104.786 -91.6646 83.0158 219.99 29.3475 8.70741 106.175 PRESSAVG: 2514200 27.2366 12.4477 -34.8533 12.4476 -3.73999 -2.78432 -34.8534 -2.78435 -12.7001 GPRESSAVG: 2514200 28.5742 11.8518 -35.2288 14.619 -5.16292 -2.5345 -34.2319 -2.24999 -12.6781 TIMING: 2514200 CPU: 7942.81, 0.00312785/step Wall: 7942.81, 0.00312785/step, 2.15978 hours remaining, 235.589844 MB of memory in use. ENERGY: 2514200 3934.9455 20469.0524 14561.7203 265.7895 -203041.3291 2774.5911 0.0000 0.0000 52030.4562 -109004.7741 299.0197 -161035.2303 -108645.9221 299.8231 88.9922 111.9891 763484.3097 3.5988 3.5777 PRESSURE: 2514400 102.099 -27.6294 363.903 -27.6285 -267.284 -113.083 363.904 -113.084 156.908 GPRESSURE: 2514400 121.354 -55.7897 328.03 -102.904 -191.965 -130.035 284.749 -144.986 135.523 PRESSAVG: 2514400 1.44207 -18.7121 -3.26037 -18.7122 -1.84949 -16.9868 -3.26036 -16.9868 14.8317 GPRESSAVG: 2514400 0.970526 -20.4595 -4.78436 -19.9844 0.0733574 -18.8991 -3.01125 -17.0808 13.0599 TIMING: 2514400 CPU: 7943.45, 0.00315241/step Wall: 7943.45, 0.00315241/step, 2.17656 hours remaining, 235.589844 MB of memory in use. ENERGY: 2514400 4036.3421 20571.5383 14572.4515 257.8795 -203324.6797 2851.0274 0.0000 0.0000 52092.7044 -108942.7365 299.3775 -161035.4409 -108591.0928 300.0510 -2.7590 21.6374 762546.6314 4.8081 4.7012 PRESSURE: 2514600 -70.4868 0.620977 -269.352 0.620824 249.411 75.3099 -269.353 75.3095 303.846 GPRESSURE: 2514600 25.4273 34.8929 -195.582 5.17456 154.434 -4.95696 -347.589 91.3744 377.609 PRESSAVG: 2514600 -46.6617 -27.2185 56.3521 -27.2184 20.7615 4.74769 56.352 4.7477 -5.79514 GPRESSAVG: 2514600 -47.7852 -26.4778 56.9403 -25.8573 19.6276 5.56288 53.4579 4.32407 -2.9479 TIMING: 2514600 CPU: 7944.07, 0.00314341/step Wall: 7944.07, 0.00314341/step, 2.17017 hours remaining, 235.589844 MB of memory in use. ENERGY: 2514600 4023.5933 20670.8338 14440.0179 260.4330 -203243.9486 2640.5189 0.0000 0.0000 52361.6007 -108846.9509 300.9228 -161208.5516 -108484.3211 300.3745 160.9234 185.8237 763535.4274 -10.5651 -10.3685 PRESSURE: 2514800 133.256 -3.90317 98.9408 -3.90256 -165.966 44.6635 98.941 44.6627 -348.845 GPRESSURE: 2514800 122.09 2.65514 87.2918 2.34674 -104.558 1.54989 150.147 60.8966 -309.293 PRESSAVG: 2514800 23.0898 -52.6175 -20.6391 -52.6175 -8.6274 -1.68317 -20.6391 -1.68314 -26.6528 GPRESSAVG: 2514800 23.4623 -52.3451 -20.7114 -54.0047 -8.72886 -3.40576 -16.7147 -0.714265 -26.9193 TIMING: 2514800 CPU: 7944.7, 0.00314403/step Wall: 7944.7, 0.00314403/step, 2.17043 hours remaining, 235.589844 MB of memory in use. ENERGY: 2514800 4050.9902 20470.1034 14473.6707 234.7178 -203081.2177 2608.7934 0.0000 0.0000 52201.7112 -109041.2310 300.0040 -161242.9422 -108662.3406 300.8571 -127.1850 -97.2536 762533.8837 -4.0635 -4.0620 PRESSURE: 2515000 -313.741 81.7853 -2.08771 81.7857 -295.557 -77.2773 -2.08822 -77.278 -183.754 GPRESSURE: 2515000 -357.82 82.5106 -63.4727 33.1333 -173.577 -36.1892 -74.6949 -40.8136 -171.087 PRESSAVG: 2515000 -31.0063 27.0383 -24.6492 27.0384 13.0142 24.7549 -24.6493 24.7549 6.67121 GPRESSAVG: 2515000 -31.3471 25.875 -23.9508 29.0943 13.208 27.1131 -26.3236 27.1083 7.10296 TIMING: 2515000 CPU: 7945.33, 0.00311547/step Wall: 7945.33, 0.00311547/step, 2.15054 hours remaining, 235.589844 MB of memory in use. ENERGY: 2515000 4014.7549 20457.9385 14416.8586 241.9778 -202788.5367 2210.1319 0.0000 0.0000 52199.5348 -109247.3402 299.9914 -161446.8750 -108886.4780 299.8476 -264.3507 -234.1617 761565.9521 -3.7736 -3.6787 PRESSURE: 2515200 -220.844 -2.93806 -137.46 -2.93851 -390.416 105.855 -137.461 105.855 220.157 GPRESSURE: 2515200 -185.497 -65.2865 -154.676 35.2135 -342.689 33.4631 -56.003 145.805 214.548 PRESSAVG: 2515200 -9.01484 -2.62155 -3.41996 -2.62156 -25.3919 19.855 -3.41996 19.855 20.9052 GPRESSAVG: 2515200 -8.47205 -0.178439 -3.3824 -4.52528 -25.0658 19.3029 -2.99889 17.4803 19.7568 TIMING: 2515200 CPU: 7945.95, 0.00313337/step Wall: 7945.95, 0.00313337/step, 2.16272 hours remaining, 235.589844 MB of memory in use. ENERGY: 2515200 3912.1655 20580.8814 14494.8943 253.7921 -203436.3840 2723.4177 0.0000 0.0000 52052.5546 -109418.6785 299.1467 -161471.2331 -109051.5247 299.4615 -130.3677 -104.5459 760547.4576 -4.5005 -4.5937 PRESSURE: 2515400 -262.608 -112.158 69.748 -112.158 55.755 -248.419 69.7489 -248.419 -267.229 GPRESSURE: 2515400 -227.722 -88.6504 29.3954 -195.444 36.6203 -211.41 106.251 -266.917 -203.767 PRESSAVG: 2515400 -46.2987 13.9223 -26.837 13.9224 0.647337 25.0575 -26.837 25.0576 -20.8937 GPRESSAVG: 2515400 -46.5552 12.5099 -28.693 14.0972 -0.194575 25.014 -26.4491 27.4019 -20.0431 TIMING: 2515400 CPU: 7946.58, 0.00314832/step Wall: 7946.58, 0.00314832/step, 2.17287 hours remaining, 235.589844 MB of memory in use. ENERGY: 2515400 3985.5951 20461.0161 14439.0959 267.5177 -203560.9257 2584.3153 0.0000 0.0000 52227.7545 -109595.6311 300.1536 -161823.3857 -109224.8208 299.0163 -158.0274 -131.6227 761476.5839 -22.1817 -22.2643 PRESSURE: 2515600 -153.297 75.9635 -114.533 75.9632 9.13713 172.469 -114.533 172.469 -130.118 GPRESSURE: 2515600 -75.3888 88.8676 -73.672 125.246 -0.137072 181.971 -116.339 152.131 -127.834 PRESSAVG: 2515600 -8.58722 -49.95 13.6987 -49.95 31.0065 17.6813 13.6988 17.6814 16.0244 GPRESSAVG: 2515600 -8.50641 -49.0763 16.9151 -49.313 31.861 18.7867 13.1517 15.3747 15.3394 TIMING: 2515600 CPU: 7947.21, 0.00312791/step Wall: 7947.21, 0.00312791/step, 2.1586 hours remaining, 235.589844 MB of memory in use. ENERGY: 2515600 4050.1414 20406.8713 14495.1527 257.3995 -203726.0622 2808.6911 0.0000 0.0000 51946.0375 -109761.7687 298.5346 -161707.8062 -109386.8697 298.4538 -91.4260 -67.7865 761985.8179 12.8145 12.8980 PRESSURE: 2515800 -219.137 -119.383 61.8656 -119.383 3.53213 -123.397 61.8655 -123.397 -216.283 GPRESSURE: 2515800 -149.475 14.5844 60.6052 -216.354 -4.75223 -101.323 8.28827 -88.3081 -212.425 PRESSAVG: 2515800 -1.12973 34.1749 -25.3399 34.175 14.3795 -19.8432 -25.3399 -19.8431 -1.71536 GPRESSAVG: 2515800 -2.00684 35.9399 -25.0167 34.1464 14.7316 -21.1313 -25.3794 -19.2009 -1.11655 TIMING: 2515800 CPU: 7947.84, 0.00314187/step Wall: 7947.84, 0.00314187/step, 2.16807 hours remaining, 235.589844 MB of memory in use. ENERGY: 2515800 4009.0446 20465.8999 14480.9158 256.7464 -203327.4346 2510.4397 0.0000 0.0000 51965.9482 -109638.4400 298.6490 -161604.3882 -109278.6768 298.9276 -143.9627 -122.2175 761351.9966 3.8448 3.8694 PRESSURE: 2516000 -438.199 -91.2799 138.179 -91.2802 -189.645 27.3535 138.18 27.3536 -234.905 GPRESSURE: 2516000 -398.229 -119.733 85.5133 1.84721 -178.02 28.241 209.668 60.3159 -210.538 PRESSAVG: 2516000 28.9978 -13.9295 47.3508 -13.9294 7.97515 30.3675 47.3507 30.3674 -10.8982 GPRESSAVG: 2516000 29.8534 -14.8566 45.6033 -16.0195 7.81737 30.3706 47.1574 29.4335 -11.5729 TIMING: 2516000 CPU: 7948.47, 0.00314663/step Wall: 7948.47, 0.00314664/step, 2.17118 hours remaining, 235.589844 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: 2516000 3953.6564 20616.4269 14430.5894 239.6581 -203232.8579 2664.6951 0.0000 0.0000 51753.4550 -109574.3771 297.4278 -161327.8321 -109210.7950 298.4909 -287.5830 -262.2624 762895.7180 8.6916 8.6993 PRESSURE: 2516200 -311.667 -57.1437 43.0488 -57.1435 95.4743 -7.58376 43.0482 -7.58518 145.874 GPRESSURE: 2516200 -238.287 6.59162 -58.7359 -6.45951 26.4538 -20.2792 85.5519 133.843 216.318 PRESSAVG: 2516200 -52.2496 12.8728 -21.3032 12.8728 54.6464 12.7826 -21.3032 12.7825 0.546995 GPRESSAVG: 2516200 -52.9561 13.1159 -21.7376 15.5647 54.8944 12.9323 -18.5221 15.2576 0.776965 TIMING: 2516200 CPU: 7949.1, 0.00314863/step Wall: 7949.1, 0.00314863/step, 2.17238 hours remaining, 235.589844 MB of memory in use. ENERGY: 2516200 3991.7348 20518.4620 14451.7650 252.1094 -202944.1722 2436.2591 0.0000 0.0000 52022.8472 -109270.9947 298.9760 -161293.8419 -108915.0490 299.0662 -23.4396 1.4949 762997.2419 0.9813 0.9051 LDB: ============= START OF LOAD BALANCING ============== 7961.63 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7961.63 LDB: =============== DONE WITH MIGRATION ================ 7961.63 LDB: ============= START OF LOAD BALANCING ============== 7961.95 LDB: Largest compute 7044 load 0.031334 is 16.0% of average load 0.195606 LDB: Average compute 0.004379 is 2.2% of average load 0.195606 LDB: TIME 7961.95 LOAD: AVG 0.195606 MAX 0.211438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.227 MB LDB: TIME 7961.95 LOAD: AVG 0.195606 MAX 0.211438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.43 MB LDB: TIME 7961.95 LOAD: AVG 0.195606 MAX 0.211438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.43 MB LDB: ============== END OF LOAD BALANCING =============== 7961.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7961.96 PRESSURE: 2516400 -75.6108 -80.2658 55.164 -80.2652 33.1782 129.212 55.1641 129.211 252.542 GPRESSURE: 2516400 -70.0829 -134.357 85.8797 -161.345 77.1206 139.318 -14.8487 -175.014 279.823 PRESSAVG: 2516400 18.4346 7.49174 14.0106 7.49171 0.117891 17.3942 14.0106 17.3942 -14.7594 GPRESSAVG: 2516400 17.8821 6.27982 16.0895 8.81293 -0.489091 16.6587 13.1556 15.7402 -14.2672 TIMING: 2516400 CPU: 7949.74, 0.00322551/step Wall: 7949.74, 0.00322551/step, 2.22524 hours remaining, 236.726562 MB of memory in use. ENERGY: 2516400 3997.2836 20458.8863 14409.6337 243.5206 -203075.1622 2619.4664 0.0000 0.0000 52319.1363 -109027.2352 300.6788 -161346.3715 -108661.6408 299.5474 70.0365 95.6202 763148.2357 1.2643 1.0419 PRESSURE: 2516600 -76.8332 132.694 169.376 132.695 -121.732 -21.6878 169.377 -21.6871 0.935115 GPRESSURE: 2516600 -6.9962 134.428 178.57 209.558 -97.267 -139.754 140.806 35.7866 4.21465 PRESSAVG: 2516600 -24.1023 10.8518 70.7361 10.8519 35.0767 -9.75032 70.736 -9.75025 6.3322 GPRESSAVG: 2516600 -24.2997 13.148 70.3943 7.85104 34.8616 -9.07373 68.0947 -9.29963 6.47174 TIMING: 2516600 CPU: 7950.37, 0.00314832/step Wall: 7950.37, 0.00314832/step, 2.17181 hours remaining, 236.929688 MB of memory in use. ENERGY: 2516600 4004.3263 20504.0311 14464.0498 239.9646 -202719.2289 2539.6153 0.0000 0.0000 52144.7893 -108822.4525 299.6768 -160967.2418 -108457.7134 299.7726 -65.8766 -33.3495 763075.0712 5.7688 5.6779 PRESSURE: 2516800 -47.1534 7.23812 71.8855 7.23857 -169.144 90.2442 71.886 90.2454 167.326 GPRESSURE: 2516800 -86.1035 -25.6049 112.376 44.327 -98.1376 22.8667 62.9836 71.3105 218.093 PRESSAVG: 2516800 19.697 -31.105 -24.0651 -31.105 -10.2187 25.4274 -24.065 25.4275 1.48767 GPRESSAVG: 2516800 18.6201 -33.6619 -23.6016 -30.7708 -9.05939 25.3603 -22.9121 24.1389 1.24914 TIMING: 2516800 CPU: 7951, 0.00313733/step Wall: 7951, 0.00313733/step, 2.16406 hours remaining, 236.929688 MB of memory in use. ENERGY: 2516800 4049.7378 20651.8612 14393.1339 265.1813 -203192.1383 2739.8928 0.0000 0.0000 51986.1941 -109106.1372 298.7654 -161092.3313 -108750.5923 299.2858 -16.3236 11.2840 763830.3199 3.6553 3.6033 PRESSURE: 2517000 -470.17 80.303 -75.1413 80.3025 -309.54 -20.2036 -75.1415 -20.2038 -355.85 GPRESSURE: 2517000 -412.856 47.0704 -55.7688 -3.59348 -292.49 -29.1253 -57.6061 -53.9663 -349.479 PRESSAVG: 2517000 60.9032 -40.1244 32.6657 -40.1244 -29.608 -30.5685 32.6657 -30.5685 19.7955 GPRESSAVG: 2517000 60.7494 -39.343 31.1254 -40.0468 -29.0582 -31.1173 34.543 -30.221 19.6916 TIMING: 2517000 CPU: 7951.63, 0.0031545/step Wall: 7951.63, 0.0031545/step, 2.17573 hours remaining, 236.929688 MB of memory in use. ENERGY: 2517000 4015.4865 20432.4908 14458.7168 272.8086 -203054.8810 2621.1125 0.0000 0.0000 52141.6013 -109112.6645 299.6585 -161254.2658 -108759.6782 298.9053 -378.5200 -351.6082 763694.0470 17.0302 17.1276 PRESSURE: 2517200 -93.363 -182.505 -74.8485 -182.504 139.028 -114.417 -74.8485 -114.415 -38.9196 GPRESSURE: 2517200 30.7062 -35.4422 -33.8439 -129.419 127.162 -117.959 -184.178 -5.59845 -86.6771 PRESSAVG: 2517200 -45.7493 -45.864 -14.1137 -45.864 16.5456 -46.5692 -14.1137 -46.5691 23.8882 GPRESSAVG: 2517200 -44.4193 -46.8834 -14.2209 -46.0366 14.5419 -46.0905 -17.2618 -45.175 24.3079 TIMING: 2517200 CPU: 7952.26, 0.0031437/step Wall: 7952.26, 0.0031437/step, 2.1681 hours remaining, 236.929688 MB of memory in use. ENERGY: 2517200 3885.4039 20487.4541 14554.4277 245.9928 -203329.3236 2862.2552 0.0000 0.0000 52293.4194 -109000.3704 300.5310 -161293.7898 -108632.8145 299.5851 2.2484 23.7303 762883.8614 -1.7719 -1.8565 PRESSURE: 2517400 96.1357 -226.429 185.341 -226.429 -4.86408 -57.3775 185.34 -57.3772 -16.0829 GPRESSURE: 2517400 34.5078 -468.594 88.6088 -24.0696 101.546 -88.8153 262.59 -107.536 25.0238 PRESSAVG: 2517400 15.7037 -34.6245 35.3705 -34.6245 18.4435 -25.4729 35.3705 -25.473 6.96688 GPRESSAVG: 2517400 13.9853 -33.436 36.1896 -33.7092 19.9857 -25.9259 34.7927 -25.0166 7.03315 TIMING: 2517400 CPU: 7952.89, 0.00316416/step Wall: 7952.89, 0.00316416/step, 2.18204 hours remaining, 236.929688 MB of memory in use. ENERGY: 2517400 3919.4596 20663.4812 14471.2499 235.4709 -203207.7328 2979.7785 0.0000 0.0000 52178.5758 -108759.7170 299.8710 -160938.2928 -108398.0001 299.6724 25.0629 53.6924 763664.3177 13.7047 13.6681 PRESSURE: 2517600 -239.4 20.1957 -141.24 20.1957 -183.082 195.306 -141.239 195.305 -139.729 GPRESSURE: 2517600 -186.675 86.7982 -76.3898 -42.0947 -222.085 169.439 -167.748 100.015 -48.6735 PRESSAVG: 2517600 63.2357 -47.0829 41.2598 -47.083 -36.5816 1.8229 41.2599 1.82288 2.16584 GPRESSAVG: 2517600 64.7129 -45.1005 41.628 -48.1286 -37.7096 2.00805 43.1631 2.12902 1.23426 TIMING: 2517600 CPU: 7953.52, 0.00315577/step Wall: 7953.52, 0.00315577/step, 2.17608 hours remaining, 236.929688 MB of memory in use. ENERGY: 2517600 3934.7428 20594.6172 14395.3967 244.0931 -202919.9625 2363.4306 0.0000 0.0000 52463.5644 -108924.1177 301.5088 -161387.6821 -108551.6734 300.2963 -187.4039 -152.4779 761452.9797 9.6066 9.4125 PRESSURE: 2517800 -330.477 -201.322 -125.008 -201.323 -487.125 -66.7814 -125.008 -66.7812 -42.4734 GPRESSURE: 2517800 -218.617 -251.07 -8.79334 -161.404 -517.78 -23.0927 -172.447 -170.07 -37.9094 PRESSAVG: 2517800 13.0864 -25.9931 14.6815 -25.9931 -10.5611 -0.783871 14.6815 -0.783958 3.2753 GPRESSAVG: 2517800 12.9044 -26.9829 14.105 -24.9028 -9.91704 0.68746 14.2572 -4.49142 2.97219 TIMING: 2517800 CPU: 7954.15, 0.00314236/step Wall: 7954.15, 0.00314236/step, 2.16666 hours remaining, 236.929688 MB of memory in use. ENERGY: 2517800 4068.2625 20670.1844 14411.9346 244.4432 -202890.1654 2528.4985 0.0000 0.0000 52052.0533 -108914.7890 299.1439 -160966.8423 -108547.3526 299.7295 -286.6915 -258.1022 763186.7105 1.9336 1.9865 PRESSURE: 2518000 49.4967 -37.2506 -125.277 -37.2509 -2.69425 36.64 -125.277 36.6411 325.792 GPRESSURE: 2518000 117.473 9.20327 -170.819 33.3784 -10.6165 -35.8059 -100.316 -0.549067 344.015 PRESSAVG: 2518000 52.2641 21.9638 76.968 21.9637 -16.322 7.37637 76.9679 7.37634 -4.42466 GPRESSAVG: 2518000 52.6869 20.3492 78.0426 24.3688 -17.4264 6.24494 75.5073 9.03717 -3.87917 TIMING: 2518000 CPU: 7954.78, 0.00315243/step Wall: 7954.78, 0.00315243/step, 2.17342 hours remaining, 236.929688 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: 2518000 4052.5446 20482.1601 14481.7206 227.1927 -202984.4348 2738.0356 0.0000 0.0000 51909.9053 -109092.8759 298.3269 -161002.7812 -108745.0743 299.7956 124.1982 150.2907 761429.0124 10.5058 10.4604 PRESSURE: 2518200 87.7216 24.7552 89.8867 24.7562 -153.864 30.1613 89.887 30.1613 33.9064 GPRESSURE: 2518200 119.382 -59.7696 72.3786 52.207 -116.199 44.2754 28.3579 47.2302 58.7113 PRESSAVG: 2518200 35.7345 21.8311 11.8402 21.8312 3.28737 -17.7426 11.8402 -17.7426 -25.2516 GPRESSAVG: 2518200 35.3543 22.0453 12.2898 18.3477 3.74643 -16.9183 12.6567 -17.1305 -25.4763 TIMING: 2518200 CPU: 7955.41, 0.00316651/step Wall: 7955.41, 0.00316651/step, 2.18296 hours remaining, 236.929688 MB of memory in use. ENERGY: 2518200 4094.9834 20475.6322 14424.4195 250.6134 -203000.6856 2620.1219 0.0000 0.0000 52018.8266 -109116.0886 298.9529 -161134.9152 -108758.1386 300.0561 -10.7454 20.6316 762954.4694 4.5901 4.5414 PRESSURE: 2518400 -281.143 105.001 -108.283 105.001 -203.359 160.118 -108.283 160.118 -16.2145 GPRESSURE: 2518400 -249.295 71.9555 -37.0476 122.194 -178.114 196.829 -56.8816 80.6217 8.78914 PRESSAVG: 2518400 17.1152 -45.2797 24.8293 -45.2797 24.2635 23.9374 24.8294 23.9375 -18.8896 GPRESSAVG: 2518400 16.6516 -45.4384 23.6021 -44.7103 24.473 24.2693 27.8148 23.3414 -19.3204 TIMING: 2518400 CPU: 7956.04, 0.00314987/step Wall: 7956.04, 0.00314987/step, 2.17131 hours remaining, 236.929688 MB of memory in use. ENERGY: 2518400 4019.0290 20547.2192 14463.1284 271.0893 -202950.5225 2528.9166 0.0000 0.0000 52117.2234 -109003.9165 299.5184 -161121.1399 -108642.2053 300.0483 -166.9054 -139.5400 761713.6461 7.4964 7.2681 PRESSURE: 2518600 241.344 98.7994 14.3848 98.7991 607.573 197.645 14.3845 197.644 -191.284 GPRESSURE: 2518600 320.967 -85.01 -29.0919 187.41 573.164 57.1383 91.682 288.79 -159.197 PRESSAVG: 2518600 14.2337 18.059 -46.7867 18.059 1.64708 -5.28562 -46.7868 -5.2857 16.7943 GPRESSAVG: 2518600 13.9367 17.0499 -45.7189 19.9047 1.11329 -5.76299 -49.4725 -3.55832 17.4545 TIMING: 2518600 CPU: 7956.68, 0.00316003/step Wall: 7956.68, 0.00316003/step, 2.17814 hours remaining, 236.929688 MB of memory in use. ENERGY: 2518600 3967.4511 20479.5408 14464.2541 235.3833 -202972.1535 2588.1069 0.0000 0.0000 52259.7548 -108977.6625 300.3375 -161237.4173 -108614.2273 300.0836 219.2112 244.9782 761627.6256 10.8917 10.8348 PRESSURE: 2518800 -266.747 -24.0674 120.136 -24.0671 86.8279 -156.047 120.136 -156.047 37.1598 GPRESSURE: 2518800 -252.696 111.681 81.363 -30.1551 120.257 -97.3682 157.457 -70.6001 85.4969 PRESSAVG: 2518800 3.38939 -10.0221 8.79275 -10.0221 16.3115 -12.0262 8.79267 -12.0262 -6.83716 GPRESSAVG: 2518800 3.079 -5.47328 7.56802 -10.7354 17.8436 -11.7309 7.87307 -12.9932 -8.0705 TIMING: 2518800 CPU: 7957.31, 0.00315527/step Wall: 7957.31, 0.00315527/step, 2.17469 hours remaining, 236.929688 MB of memory in use. ENERGY: 2518800 4027.8968 20541.8174 14492.7457 269.6365 -202941.3194 2423.3734 0.0000 0.0000 52259.2004 -108926.6492 300.3343 -161185.8496 -108559.9560 299.8211 -47.5865 -15.6472 762125.6282 4.2879 4.2840 PRESSURE: 2519000 -19.2841 160.753 41.614 160.755 41.3052 -205.743 41.6132 -205.743 10.3235 GPRESSURE: 2519000 -11.5556 72.5082 62.7171 80.7823 119.126 -199.795 177.743 -130.308 4.21826 PRESSAVG: 2519000 -35.9244 -24.1872 16.2147 -24.1872 7.21168 -0.923784 16.2147 -0.923807 -1.92524 GPRESSAVG: 2519000 -35.282 -27.4346 16.3868 -23.3105 6.58532 -2.30771 17.7178 -0.29685 -1.68381 TIMING: 2519000 CPU: 7957.93, 0.00314247/step Wall: 7957.93, 0.00314247/step, 2.16569 hours remaining, 236.929688 MB of memory in use. ENERGY: 2519000 3969.9276 20472.2045 14484.2185 249.2916 -202896.7345 2603.2820 0.0000 0.0000 52287.4967 -108830.3136 300.4970 -161117.8102 -108472.9691 300.1069 10.7815 37.2630 762440.8251 -10.2127 -10.1268 PRESSURE: 2519200 -123.224 -154.155 92.3542 -154.154 -42.5695 -104.496 92.3542 -104.497 -271.764 GPRESSURE: 2519200 -195.8 -158.994 95.845 -243.565 38.0255 -168.887 128.127 -102.445 -193.842 PRESSAVG: 2519200 40.4932 -5.26949 13.901 -5.26959 1.08241 16.4528 13.9011 16.4529 -2.36128 GPRESSAVG: 2519200 40.4197 -5.9512 13.5476 -5.59175 0.916294 18.3185 14.4145 16.0712 -1.8329 TIMING: 2519200 CPU: 7958.57, 0.00315123/step Wall: 7958.57, 0.00315123/step, 2.17155 hours remaining, 236.929688 MB of memory in use. ENERGY: 2519200 4059.6219 20351.4208 14457.3663 216.6120 -202934.4394 2526.4965 0.0000 0.0000 52168.7172 -109154.2047 299.8143 -161322.9219 -108788.9316 299.6991 -145.8528 -117.2054 763149.0745 13.0714 13.1677 PRESSURE: 2519400 -179.72 -193.077 -19.1569 -193.077 -219.328 28.4303 -19.1568 28.4308 -191.629 GPRESSURE: 2519400 -121.839 -217.118 42.0572 -218.276 -197.084 24.2211 -114.982 101.388 -197.18 PRESSAVG: 2519400 2.40625 -46.7135 33.1201 -46.7135 -22.1423 -3.97476 33.1201 -3.97479 8.42691 GPRESSAVG: 2519400 3.91239 -45.5878 33.1372 -47.5346 -22.9255 -5.83376 34.8431 -2.66501 7.56711 TIMING: 2519400 CPU: 7959.2, 0.00315091/step Wall: 7959.2, 0.00315091/step, 2.17115 hours remaining, 236.929688 MB of memory in use. ENERGY: 2519400 3968.4243 20496.8865 14467.5500 230.7219 -202843.7504 2424.9543 0.0000 0.0000 52103.4773 -109151.7361 299.4394 -161255.2134 -108787.7411 299.6380 -196.8922 -172.0341 763978.9338 -3.7697 -3.8153 PRESSURE: 2519600 271.605 176.906 83.316 176.906 -41.2574 102.098 83.3161 102.098 -69.0882 GPRESSURE: 2519600 210 206.958 196.692 161.434 15.0825 112.668 -18.3809 105.068 25.0471 PRESSAVG: 2519600 40.2104 -38.1301 -14.0575 -38.13 -67.7239 -30.4365 -14.0575 -30.4365 -14.3111 GPRESSAVG: 2519600 39.1479 -36.5709 -12.5032 -38.0526 -66.7423 -29.4292 -15.8943 -30.9362 -14.3308 TIMING: 2519600 CPU: 7959.83, 0.00315369/step Wall: 7959.83, 0.00315369/step, 2.17289 hours remaining, 236.929688 MB of memory in use. ENERGY: 2519600 3993.1784 20658.6722 14434.1905 255.3213 -203045.7373 2495.9101 0.0000 0.0000 52022.1042 -109186.3607 298.9717 -161208.4649 -108823.2501 298.7728 53.7531 83.3766 761633.5874 -13.9415 -13.9750 PRESSURE: 2519800 -160.064 -56.7027 14.7891 -56.7032 -197.316 -364.446 14.79 -364.446 -14.1165 GPRESSURE: 2519800 -109.525 -91.5432 52.2032 -109.927 -136.833 -379.363 -16.3667 -279.706 -45.847 PRESSAVG: 2519800 34.3066 -31.9537 -5.37347 -31.9538 -58.6829 2.5585 -5.3734 2.55842 -4.34258 GPRESSAVG: 2519800 33.8319 -33.6545 -6.76243 -30.8951 -58.3647 2.54716 -5.30352 2.69383 -4.14482 TIMING: 2519800 CPU: 7960.45, 0.00313872/step Wall: 7960.45, 0.00313872/step, 2.16241 hours remaining, 236.929688 MB of memory in use. ENERGY: 2519800 4027.3219 20545.1619 14447.2016 234.4929 -203213.5142 2653.2700 0.0000 0.0000 52355.0650 -108951.0009 300.8853 -161306.0659 -108591.8277 299.5541 -123.8323 -97.4018 762142.8506 -9.5730 -9.5592 PRESSURE: 2520000 -341.125 -12.3322 -175.732 -12.3335 6.48314 -13.9492 -175.732 -13.9502 -145.742 GPRESSURE: 2520000 -214.289 -15.6846 -114.253 -55.3189 16.5232 6.08112 -269.291 -58.1703 -206.256 PRESSAVG: 2520000 19.2318 3.67134 37.1458 3.67132 -26.6255 47.7528 37.1458 47.7528 -28.0444 GPRESSAVG: 2520000 18.917 4.01065 37.1401 1.50378 -27.2082 48.7058 35.3224 47.5902 -26.9867 TIMING: 2520000 CPU: 7961.08, 0.00313962/step Wall: 7961.08, 0.00313962/step, 2.16285 hours remaining, 236.929688 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: 2520000 3966.0186 20610.7522 14505.9117 271.3905 -203120.2770 2821.8892 0.0000 0.0000 52200.1848 -108744.1301 299.9952 -160944.3149 -108384.7184 300.3192 -160.1280 -134.6739 763191.8719 -11.8127 -11.7593 PRESSURE: 2520200 -5.60396 -199.985 74.219 -199.985 127.033 -9.99329 74.2199 -9.99325 33.6593 GPRESSURE: 2520200 122.326 -156.463 92.5183 -147.086 110.496 -6.50396 -2.73337 44.6647 12.8083 PRESSAVG: 2520200 -25.9329 -27.4763 -21.1816 -27.4764 24.794 41.2701 -21.1816 41.2701 -21.0876 GPRESSAVG: 2520200 -25.659 -28.4966 -21.0241 -25.3466 25.0457 41.248 -19.9222 40.7367 -21.2594 TIMING: 2520200 CPU: 7961.71, 0.00315682/step Wall: 7961.71, 0.00315683/step, 2.17453 hours remaining, 236.929688 MB of memory in use. ENERGY: 2520200 4032.5536 20533.2134 14485.6353 242.4012 -203479.1906 2847.6855 0.0000 0.0000 52433.7013 -108904.0004 301.3372 -161337.7017 -108536.7038 300.1430 51.6962 81.8768 762745.9904 -7.4089 -7.2909 LDB: ============= START OF LOAD BALANCING ============== 7974.24 LDB: ============== END OF LOAD BALANCING =============== 7974.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7974.24 LDB: ============= START OF LOAD BALANCING ============== 7974.56 LDB: Largest compute 7058 load 0.032521 is 16.6% of average load 0.195548 LDB: Average compute 0.004403 is 2.3% of average load 0.195548 LDB: TIME 7974.56 LOAD: AVG 0.195548 MAX 0.213453 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 7974.56 LOAD: AVG 0.195548 MAX 0.213453 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: TIME 7974.56 LOAD: AVG 0.195548 MAX 0.213453 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: ============== END OF LOAD BALANCING =============== 7974.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7974.57 PRESSURE: 2520400 -229.49 47.4341 -146.998 47.434 -200.955 85.0029 -146.999 85.0024 -84.0736 GPRESSURE: 2520400 -203.497 24.4117 -87.5444 -19.7465 -165.063 154.557 -169.442 13.8493 -84.7574 PRESSAVG: 2520400 -55.1681 -8.16086 16.3644 -8.16087 22.5204 -23.8689 16.3644 -23.8689 12.8645 GPRESSAVG: 2520400 -56.3253 -9.99781 15.3009 -8.73082 23.47 -23.7512 17.8278 -23.1075 13.2198 TIMING: 2520400 CPU: 7962.35, 0.00319869/step Wall: 7962.35, 0.00319869/step, 2.20319 hours remaining, 235.445312 MB of memory in use. ENERGY: 2520400 4031.5329 20603.0985 14501.7138 235.1279 -202950.1562 2298.2964 0.0000 0.0000 52345.4070 -108934.9797 300.8298 -161280.3867 -108560.3691 299.9922 -171.5064 -151.1055 762268.3331 -6.5944 -6.5451 PRESSURE: 2520600 19.6501 52.768 0.805445 52.7685 -278.529 117.337 0.806064 117.338 611.895 GPRESSURE: 2520600 54.1945 128.717 19.4328 -95.6196 -213.971 163.217 -61.6379 -0.010982 604.36 PRESSAVG: 2520600 -19.3264 -79.8133 -37.1116 -79.8133 3.33588 37.8135 -37.1116 37.8136 8.19894 GPRESSAVG: 2520600 -18.8871 -76.7238 -37.616 -80.9456 2.69298 37.6921 -37.9802 35.4026 8.70446 TIMING: 2520600 CPU: 7962.98, 0.00314321/step Wall: 7962.98, 0.00314321/step, 2.1648 hours remaining, 235.445312 MB of memory in use. ENERGY: 2520600 4022.5559 20482.0238 14402.1878 231.0972 -203137.7075 2568.3062 0.0000 0.0000 52190.1952 -109241.3416 299.9378 -161431.5367 -108871.5496 299.4432 117.6721 148.1945 761938.5147 -2.5972 -2.4966 PRESSURE: 2520800 -71.1539 183.735 -66.4715 183.735 227.666 -164.831 -66.4714 -164.831 22.7004 GPRESSURE: 2520800 -47.3969 47.9894 -2.73192 160.227 351.387 -159.139 -114.419 -43.6092 -28.2021 PRESSAVG: 2520800 4.49843 28.0088 8.16634 28.0089 9.35444 5.15489 8.16635 5.15486 5.79132 GPRESSAVG: 2520800 5.18488 26.6627 9.57478 29.2179 8.96523 3.71246 6.82525 7.63195 5.67719 TIMING: 2520800 CPU: 7963.61, 0.00314108/step Wall: 7963.61, 0.00314108/step, 2.16315 hours remaining, 235.445312 MB of memory in use. ENERGY: 2520800 3972.9966 20574.7803 14499.3751 258.6981 -203134.7337 2364.9153 0.0000 0.0000 52191.3820 -109272.5862 299.9446 -161463.9682 -108900.1677 299.3541 59.7375 91.9292 761609.4100 6.5481 6.6091 PRESSURE: 2521000 320.357 213.956 209.545 213.956 -3.25706 -69.7396 209.545 -69.7399 -222.66 GPRESSURE: 2521000 436.073 56.4018 113.905 185.907 27.5172 -24.8652 185.896 -38.2557 -291.616 PRESSAVG: 2521000 -11.6686 64.2659 65.299 64.2659 -16.2032 -18.292 65.299 -18.2921 -30.6138 GPRESSAVG: 2521000 -12.0819 64.9228 64.2579 62.3555 -15.2682 -17.4794 66.6605 -18.8628 -30.9269 TIMING: 2521000 CPU: 7964.24, 0.00314398/step Wall: 7964.24, 0.00314398/step, 2.16498 hours remaining, 235.445312 MB of memory in use. ENERGY: 2521000 4005.9579 20667.0295 14498.3568 260.5691 -203024.1454 2397.9145 0.0000 0.0000 51919.1401 -109275.1776 298.3800 -161194.3177 -108904.6023 299.6725 31.4799 57.3246 763329.3089 -19.4952 -19.4257 PRESSURE: 2521200 -278.368 -1.96294 102.656 -1.96265 -349.036 81.7739 102.656 81.7733 -196.914 GPRESSURE: 2521200 -245.375 50.9836 54.4097 110.922 -335.385 108.115 90.899 -98.1273 -155.996 PRESSAVG: 2521200 -20.1594 -30.4807 66.3669 -30.4807 -31.6759 10.7058 66.3668 10.7058 29.7473 GPRESSAVG: 2521200 -19.2277 -29.7488 67.9059 -28.8642 -33.0941 11.7035 67.6264 10.2067 30.2859 TIMING: 2521200 CPU: 7964.87, 0.00315249/step Wall: 7964.87, 0.00315249/step, 2.17067 hours remaining, 235.445312 MB of memory in use. ENERGY: 2521200 4040.6609 20789.1647 14467.0607 237.4350 -203358.6234 2595.0493 0.0000 0.0000 51869.7136 -109359.5392 298.0960 -161229.2528 -109006.6584 299.1069 -274.7723 -245.5852 764079.0898 -7.3627 -7.3453 PRESSURE: 2521400 -170.01 -0.230684 -29.8379 -0.230266 -22.3276 -100.062 -29.8388 -100.062 -207.387 GPRESSURE: 2521400 -151.579 -60.8913 35.3034 -23.1142 -46.4619 -138.097 36.4578 -81.2256 -108.859 PRESSAVG: 2521400 18.4461 -7.10503 -8.12957 -7.10506 -35.0637 -38.7707 -8.12961 -38.7707 -15.1833 GPRESSAVG: 2521400 18.2194 -8.67638 -8.0227 -7.99497 -35.046 -39.0443 -10.5457 -40.9186 -14.4 TIMING: 2521400 CPU: 7965.5, 0.00314612/step Wall: 7965.5, 0.00314612/step, 2.1661 hours remaining, 235.445312 MB of memory in use. ENERGY: 2521400 3941.6880 20593.3482 14427.2525 253.1220 -203293.1827 2708.1018 0.0000 0.0000 52032.0066 -109337.6637 299.0287 -161369.6702 -108969.3591 299.3662 -133.2415 -102.2998 763301.2442 -10.6003 -10.4089 PRESSURE: 2521600 173.693 -17.2149 -163.046 -17.2156 336.957 -140.775 -163.047 -140.775 240.437 GPRESSURE: 2521600 183.953 14.8167 -118.262 76.9008 343.954 -116.498 -219.232 -95.4606 294.95 PRESSAVG: 2521600 6.41336 -45.9014 30.7845 -45.9014 -21.9563 9.12649 30.7845 9.12652 -18.1567 GPRESSAVG: 2521600 7.24187 -44.7791 29.5375 -44.1275 -21.0908 8.2897 31.8164 10.4262 -19.4599 TIMING: 2521600 CPU: 7966.13, 0.00314458/step Wall: 7966.13, 0.00314458/step, 2.16487 hours remaining, 235.445312 MB of memory in use. ENERGY: 2521600 4030.4495 20571.2312 14518.1834 238.2866 -203616.6877 2916.5911 0.0000 0.0000 52067.0103 -109274.9355 299.2298 -161341.9458 -108907.1623 299.0891 250.3623 274.2857 760750.4083 -11.2332 -11.1029 PRESSURE: 2521800 -45.1854 74.8861 31.0137 74.887 236.261 114.383 31.0138 114.382 -150.497 GPRESSURE: 2521800 6.71528 80.6223 -16.8346 223.224 263.163 153.815 -41.2998 43.0637 -131.042 PRESSAVG: 2521800 28.6652 -9.62644 -11.0547 -9.62645 10.7539 -26.5148 -11.0548 -26.5148 -20.2403 GPRESSAVG: 2521800 29.0235 -9.3371 -11.6607 -10.4629 9.35542 -25.8062 -10.8688 -25.2439 -19.2538 TIMING: 2521800 CPU: 7966.76, 0.00316521/step Wall: 7966.76, 0.00316521/step, 2.17889 hours remaining, 235.445312 MB of memory in use. ENERGY: 2521800 3954.9427 20580.0225 14394.3355 257.6573 -203688.1991 2804.5145 0.0000 0.0000 52396.5115 -109300.2150 301.1235 -161696.7265 -108940.1164 299.4254 13.5263 46.2789 759672.8184 6.3929 6.3750 PRESSURE: 2522000 -318.311 -142.291 320.591 -142.291 -129.955 -38.2097 320.591 -38.2092 130.34 GPRESSURE: 2522000 -338.089 -190.161 294.984 -74.9186 -30.8166 -23.2204 238.216 -12.8065 128.16 PRESSAVG: 2522000 -15.5766 -11.4793 79.4971 -11.4793 -12.7372 27.111 79.4971 27.111 8.20542 GPRESSAVG: 2522000 -17.3785 -11.2581 80.2498 -11.7195 -11.4717 25.7217 76.4066 25.3732 8.52042 TIMING: 2522000 CPU: 7967.39, 0.00315058/step Wall: 7967.39, 0.00315058/step, 2.16865 hours remaining, 235.445312 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: 2522000 4017.5423 20579.5277 14557.4678 257.4036 -203461.9868 2663.9804 0.0000 0.0000 52188.2709 -109197.7941 299.9267 -161386.0650 -108833.7709 299.8321 -105.9751 -80.2486 760948.4847 -6.7028 -6.7766 PRESSURE: 2522200 473.324 125.79 9.37632 125.789 155.916 -86.6676 9.37708 -86.6673 255.336 GPRESSURE: 2522200 462.18 189.118 -8.22893 130.599 146.626 -110.781 169.575 -152.042 346.338 PRESSAVG: 2522200 -15.296 -43.3433 12.5442 -43.3432 -1.52408 14.8741 12.5442 14.8741 2.70697 GPRESSAVG: 2522200 -15.0024 -43.988 14.0208 -44.1229 -1.22121 16.6751 16.2084 14.9222 1.94095 TIMING: 2522200 CPU: 7968.02, 0.00315441/step Wall: 7968.02, 0.00315441/step, 2.17111 hours remaining, 235.445312 MB of memory in use. ENERGY: 2522200 3999.5874 20495.2765 14393.7665 245.5098 -203806.1807 2804.9389 0.0000 0.0000 52298.6398 -109568.4618 300.5610 -161867.1016 -109194.8924 299.7232 294.8587 318.3812 759514.5945 -4.7044 -4.7609 PRESSURE: 2522400 -364.179 -180.517 -121.991 -180.517 -57.2104 -73.791 -121.992 -73.7909 -66.3351 GPRESSURE: 2522400 -293.279 -210.109 -121.549 -171.295 -45.9505 -132.089 -227.603 72.9428 -64.7469 PRESSAVG: 2522400 11.5708 -55.4533 20.7081 -55.4534 -16.9567 0.716971 20.7081 0.716989 5.08977 GPRESSAVG: 2522400 12.5267 -55.3191 18.654 -55.1635 -18.1301 0.1487 19.8958 1.68575 5.74521 TIMING: 2522400 CPU: 7968.65, 0.00315035/step Wall: 7968.65, 0.00315035/step, 2.16814 hours remaining, 235.445312 MB of memory in use. ENERGY: 2522400 3955.1258 20715.6848 14491.1910 257.2959 -203193.6490 2381.4110 0.0000 0.0000 51860.0904 -109532.8501 298.0407 -161392.9405 -109171.6662 299.2228 -162.5748 -134.6589 763817.8125 -0.0987 0.0473 PRESSURE: 2522600 80.9007 -207.195 -134.584 -207.195 239.547 -211.693 -134.584 -211.692 -94.074 GPRESSURE: 2522600 98.6415 -92.5383 -126.413 -101.829 239.532 -269.991 -66.9122 -199.304 -51.0852 PRESSAVG: 2522600 -39.5627 12.1271 16.8436 12.1271 7.22832 -3.39557 16.8436 -3.39567 0.496579 GPRESSAVG: 2522600 -40.0106 12.6521 16.6302 11.8005 6.88492 -5.07282 16.5022 -0.810478 1.12572 TIMING: 2522600 CPU: 7969.28, 0.00313084/step Wall: 7969.28, 0.00313084/step, 2.15454 hours remaining, 235.445312 MB of memory in use. ENERGY: 2522600 4094.9706 20366.1975 14442.7747 233.7801 -203565.3147 2815.5834 0.0000 0.0000 52164.7612 -109447.2472 299.7916 -161612.0085 -109084.7434 299.2323 75.4580 95.6961 760546.5985 -10.6126 -10.6667 PRESSURE: 2522800 73.2695 101.437 14.2839 101.437 58.9443 118.169 14.285 118.169 319.927 GPRESSURE: 2522800 156.428 60.564 25.4983 49.4675 71.7635 214.279 -74.0296 90.7661 302.722 PRESSAVG: 2522800 -29.7741 -15.9531 26.9561 -15.9531 27.6068 -18.1857 26.9561 -18.1858 -0.792055 GPRESSAVG: 2522800 -29.8621 -16.0265 28.7067 -16.1974 29.2014 -16.286 28.5117 -20.9531 -2.22191 TIMING: 2522800 CPU: 7969.91, 0.00314951/step Wall: 7969.91, 0.00314951/step, 2.16721 hours remaining, 235.445312 MB of memory in use. ENERGY: 2522800 3998.0075 20662.3078 14478.0610 247.1702 -203729.6764 2762.1967 0.0000 0.0000 52007.2673 -109574.6659 298.8865 -161581.9331 -109220.9331 299.2584 150.7136 176.9711 760308.4162 -0.9864 -0.9609 PRESSURE: 2523000 459.386 14.9426 -124.605 14.9419 174.916 -143.048 -124.605 -143.048 310.022 GPRESSURE: 2523000 390.523 76.6149 -30.9 -11.2324 289.477 -80.7441 -143.225 -219.227 356.674 PRESSAVG: 2523000 -46.5634 -25.0186 22.2306 -25.0186 5.4028 -43.0549 22.2305 -43.055 -0.975565 GPRESSAVG: 2523000 -47.207 -25.8066 22.9295 -26.4323 4.8892 -45.2946 19.5383 -41.2603 -0.0686489 TIMING: 2523000 CPU: 7970.54, 0.00314908/step Wall: 7970.54, 0.00314908/step, 2.16674 hours remaining, 235.445312 MB of memory in use. ENERGY: 2523000 3916.1839 20460.4752 14424.3040 247.4223 -203226.9746 2581.1596 0.0000 0.0000 51854.9083 -109742.5213 298.0109 -161597.4296 -109375.2497 298.4532 314.7747 345.5581 759553.6905 -14.0454 -14.1288 PRESSURE: 2523200 -98.2868 -79.5444 -9.49613 -79.5445 -267.566 -210.436 -9.49533 -210.436 -295.808 GPRESSURE: 2523200 -75.9467 -162.923 -30.0887 22.3418 -300.497 -151.427 36.2501 -157.611 -206.053 PRESSAVG: 2523200 -12.2782 -68.1235 43.3091 -68.1235 -36.2777 -84.1675 43.3091 -84.1675 -13.6158 GPRESSAVG: 2523200 -12.0666 -65.6057 42.3112 -66.8222 -37.5245 -83.2858 45.2244 -85.3251 -13.0331 TIMING: 2523200 CPU: 7971.16, 0.00313226/step Wall: 7971.16, 0.00313226/step, 2.15499 hours remaining, 235.445312 MB of memory in use. ENERGY: 2523200 3966.6201 20522.3291 14396.0284 250.3979 -203291.0772 2642.4145 0.0000 0.0000 51789.3323 -109723.9549 297.6340 -161513.2872 -109366.5065 298.2569 -220.5537 -194.1657 762452.4275 -20.7239 -20.8747 PRESSURE: 2523400 126.348 14.6022 3.5263 14.6024 -96.7203 -1.34058 3.5259 -1.34044 226.062 GPRESSURE: 2523400 174.605 -52.688 21.195 67.0838 -16.5464 20.0309 3.33345 -5.05877 180.448 PRESSAVG: 2523400 22.4895 -17.2593 27.5664 -17.2593 2.23308 -63.7295 27.5664 -63.7295 12.3382 GPRESSAVG: 2523400 22.1537 -19.4819 25.0273 -18.1206 3.58308 -63.3313 28.0509 -63.4725 11.4023 TIMING: 2523400 CPU: 7971.79, 0.00314094/step Wall: 7971.79, 0.00314094/step, 2.16079 hours remaining, 235.445312 MB of memory in use. ENERGY: 2523400 3948.2907 20463.9949 14419.2433 235.0630 -203487.8507 2602.0722 0.0000 0.0000 52173.3070 -109645.8796 299.8407 -161819.1867 -109271.9012 298.7349 85.2302 112.8357 760430.2897 12.3536 12.3797 PRESSURE: 2523600 -338.664 20.1106 -234.916 20.1104 -20.0941 -175.638 -234.916 -175.639 -72.7495 GPRESSURE: 2523600 -297.353 37.6873 -167.844 -20.0856 12.7172 -139.281 -241.816 -159.692 -72.8841 PRESSAVG: 2523600 -27.5947 -40.1227 21.1481 -40.1226 56.5762 0.830648 21.148 0.83067 -3.42976 GPRESSAVG: 2523600 -27.5258 -41.1827 23.2547 -38.1133 55.4594 0.761122 19.7805 -3.21143 -2.75134 TIMING: 2523600 CPU: 7972.42, 0.00313017/step Wall: 7972.42, 0.00313017/step, 2.15321 hours remaining, 235.445312 MB of memory in use. ENERGY: 2523600 3983.8594 20469.7730 14494.9012 244.0790 -203413.6204 2623.7513 0.0000 0.0000 51803.7688 -109793.4877 297.7170 -161597.2565 -109433.2930 298.3940 -143.8360 -119.1733 760716.1336 8.5172 8.3941 PRESSURE: 2523800 -413.266 46.6707 -41.1254 46.6701 -155.877 2.16614 -41.1255 2.16631 -681.104 GPRESSURE: 2523800 -342.846 35.3461 -106.077 34.4817 -242.53 -49.008 -15.4199 129.048 -581.872 PRESSAVG: 2523800 -22.0589 -21.7427 24.2236 -21.7427 25.1706 -28.7015 24.2236 -28.7016 0.30735 GPRESSAVG: 2523800 -20.9396 -21.3272 24.1379 -19.9659 25.0448 -28.1577 25.0806 -24.2492 -0.936331 TIMING: 2523800 CPU: 7973.05, 0.00313835/step Wall: 7973.05, 0.00313835/step, 2.15866 hours remaining, 235.445312 MB of memory in use. ENERGY: 2523800 4030.8333 20362.8963 14413.3911 241.3072 -203161.7947 2595.9564 0.0000 0.0000 51853.0164 -109664.3940 298.0000 -161517.4104 -109304.0725 297.9219 -416.7487 -389.0828 762086.6313 1.1397 1.0563 PRESSURE: 2524000 -81.848 34.6388 8.9479 34.639 139.277 160.983 8.94862 160.982 129.954 GPRESSURE: 2524000 -64.8207 -106.014 58.7263 152.659 170.251 148.377 -9.13134 120.065 155.636 PRESSAVG: 2524000 30.3586 4.27196 9.23967 4.27196 -36.9406 -62.3078 9.23969 -62.3078 2.36394 GPRESSAVG: 2524000 28.8796 3.3482 9.31199 2.87321 -36.607 -64.6166 9.63965 -63.0104 3.79596 TIMING: 2524000 CPU: 7973.67, 0.00313149/step Wall: 7973.67, 0.00313149/step, 2.15377 hours remaining, 235.445312 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: 2524000 3976.4550 20515.7048 14414.8609 258.5224 -203606.2670 2732.9223 0.0000 0.0000 52064.8254 -109642.9762 299.2173 -161707.8015 -109285.2065 298.8962 62.4610 87.0223 761110.2299 -1.4060 -1.3105 PRESSURE: 2524200 -227.31 124.428 154.42 124.428 -483.854 207.962 154.42 207.962 61.7124 GPRESSURE: 2524200 -103.617 44.4617 194.868 52.005 -520.012 120.039 143.777 226.011 48.0193 PRESSAVG: 2524200 24.3961 -35.9172 50.3749 -35.9172 -61.3838 13.4379 50.3749 13.4379 6.88744 GPRESSAVG: 2524200 25.5963 -35.0323 50.9836 -35.9545 -62.0655 13.2424 49.7574 13.1286 5.98762 TIMING: 2524200 CPU: 7974.3, 0.00313555/step Wall: 7974.3, 0.00313555/step, 2.15639 hours remaining, 235.445312 MB of memory in use. ENERGY: 2524200 3968.6322 20533.3366 14354.3253 247.5800 -203344.5032 2547.9187 0.0000 0.0000 52116.5279 -109576.1825 299.5144 -161692.7104 -109199.9819 298.5383 -216.4838 -191.8700 763229.6304 -10.0334 -10.1605 LDB: ============= START OF LOAD BALANCING ============== 7986.83 LDB: ============== END OF LOAD BALANCING =============== 7986.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7986.83 LDB: ============= START OF LOAD BALANCING ============== 7987.14 LDB: Largest compute 7057 load 0.030818 is 15.8% of average load 0.195562 LDB: Average compute 0.004361 is 2.2% of average load 0.195562 LDB: TIME 7987.15 LOAD: AVG 0.195562 MAX 0.211248 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.246 MB LDB: TIME 7987.15 LOAD: AVG 0.195562 MAX 0.211248 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.316 MB LDB: TIME 7987.15 LOAD: AVG 0.195562 MAX 0.211248 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.316 MB LDB: ============== END OF LOAD BALANCING =============== 7987.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7987.16 PRESSURE: 2524400 368.616 -47.2397 93.4177 -47.2395 124.249 -58.5128 93.4169 -58.5119 212.068 GPRESSURE: 2524400 361.481 -27.5433 15.7216 -92.5261 135.74 16.1469 79.6716 -27.3744 267.439 PRESSAVG: 2524400 11.4389 -47.3882 16.8191 -47.3883 -37.6647 6.45792 16.8191 6.458 -10.4287 GPRESSAVG: 2524400 11.7282 -48.8811 14.409 -48 -38.0433 7.9834 18.8645 5.64309 -10.8288 TIMING: 2524400 CPU: 7974.94, 0.00319963/step Wall: 7974.94, 0.00319963/step, 2.20028 hours remaining, 235.441406 MB of memory in use. ENERGY: 2524400 3985.1080 20520.8627 14468.6435 269.7182 -203978.1963 2995.9153 0.0000 0.0000 52182.9140 -109555.0345 299.8959 -161737.9485 -109185.1493 298.9837 234.9778 254.8865 761619.7439 -12.2182 -12.3813 PRESSURE: 2524600 321.726 -25.0205 84.4321 -25.0206 595.259 22.3468 84.4317 22.3446 238.944 GPRESSURE: 2524600 366.26 -56.7335 12.2872 -68.602 554.912 27.7256 147.906 39.741 343.142 PRESSAVG: 2524600 4.28592 -77.2812 -26.0232 -77.2812 12.7427 11.0829 -26.0231 11.0829 -8.26194 GPRESSAVG: 2524600 2.43649 -78.2455 -23.1641 -77.7971 14.4633 12.401 -26.8964 11.682 -7.59573 TIMING: 2524600 CPU: 7975.57, 0.00313264/step Wall: 7975.57, 0.00313264/step, 2.15404 hours remaining, 235.644531 MB of memory in use. ENERGY: 2524600 3962.9377 20388.3736 14400.7201 236.8854 -204010.3821 3126.1787 0.0000 0.0000 52452.1831 -109443.1035 301.4434 -161895.2865 -109081.3586 299.4653 385.3099 421.4381 761358.3496 2.9222 3.1014 PRESSURE: 2524800 84.3941 -193.2 -184.525 -193.199 73.9015 71.8444 -184.525 71.8434 220.957 GPRESSURE: 2524800 131.53 -119.089 -164.989 -73.3939 116.32 58.956 -224.457 -61.5803 227.444 PRESSAVG: 2524800 0.168829 -71.2513 -12.8818 -71.2512 10.1238 -7.13276 -12.8818 -7.13275 3.36147 GPRESSAVG: 2524800 0.451034 -68.0603 -14.1588 -70.4194 7.87513 -8.39171 -13.2486 -8.27119 5.04599 TIMING: 2524800 CPU: 7976.19, 0.003143/step Wall: 7976.19, 0.003143/step, 2.16099 hours remaining, 235.769531 MB of memory in use. ENERGY: 2524800 3914.6157 20512.9653 14506.9153 230.6478 -203891.9835 2971.6563 0.0000 0.0000 52200.9064 -109554.2766 299.9993 -161755.1830 -109187.9350 298.8673 126.4175 158.4315 762717.2221 4.5514 4.4574 PRESSURE: 2525000 296.778 76.6416 -61.493 76.6416 324.13 70.3599 -61.493 70.3599 497.541 GPRESSURE: 2525000 384.254 -76.6962 33.0175 157.416 342.97 85.8223 32.4006 82.7142 467.489 PRESSAVG: 2525000 -43.5647 -11.1047 11.2247 -11.1047 47.8611 42.8489 11.2247 42.8489 0.194094 GPRESSAVG: 2525000 -42.5648 -13.6332 11.8134 -10.8706 48.5084 43.3803 9.98286 45.0301 -1.6638 TIMING: 2525000 CPU: 7976.82, 0.00314787/step Wall: 7976.82, 0.00314787/step, 2.16416 hours remaining, 236.007812 MB of memory in use. ENERGY: 2525000 3994.0408 20620.5222 14536.1196 258.4801 -203847.5677 2987.0732 0.0000 0.0000 52217.6495 -109233.6821 300.0955 -161451.3317 -108866.7958 299.0594 372.8161 398.2375 760569.0446 1.4968 1.4266 PRESSURE: 2525200 -282.857 -65.7676 -222.585 -65.768 -321.184 -112.562 -222.585 -112.562 -422.387 GPRESSURE: 2525200 -228.044 -75.8165 -228.874 17.1465 -303.596 -239.13 -90.3938 -140.838 -396.481 PRESSAVG: 2525200 -1.9002 -13.0659 -72.6037 -13.0659 16.3808 45.0689 -72.6037 45.0689 12.4213 GPRESSAVG: 2525200 -4.08132 -12.8023 -72.3113 -14.3701 18.258 43.7501 -70.8958 41.9653 12.071 TIMING: 2525200 CPU: 7977.46, 0.00318767/step Wall: 7977.46, 0.00318767/step, 2.19135 hours remaining, 236.007812 MB of memory in use. ENERGY: 2525200 4055.4400 20610.2966 14427.6917 244.9440 -203566.4132 2946.4006 0.0000 0.0000 52076.0837 -109205.5565 299.2820 -161281.6403 -108843.1226 299.3476 -342.1429 -309.3738 762965.3726 8.9673 8.7492 PRESSURE: 2525400 79.9098 -138.577 82.9589 -138.578 137.388 -89.5488 82.9584 -89.5483 -142.882 GPRESSURE: 2525400 95.5553 -154.871 116.158 -77.4319 109.271 -122.443 -72.3351 43.3156 -60.0376 PRESSAVG: 2525400 -7.4504 18.5029 38.1094 18.5029 3.52775 4.98619 38.1094 4.98624 10.4859 GPRESSAVG: 2525400 -5.89496 18.8759 37.8261 19.9185 1.47995 5.31275 37.9057 7.37025 11.3494 TIMING: 2525400 CPU: 7978.09, 0.00316633/step Wall: 7978.09, 0.00316633/step, 2.1765 hours remaining, 236.007812 MB of memory in use. ENERGY: 2525400 3947.8950 20536.2048 14372.9841 246.8662 -203753.3141 2856.3187 0.0000 0.0000 52299.2366 -109493.8087 300.5644 -161793.0453 -109132.3058 298.9715 24.8055 48.2629 762497.7508 2.1877 2.3115 PRESSURE: 2525600 -191.055 7.5244 -321.17 7.52491 -293.67 8.56923 -321.169 8.56884 114.396 GPRESSURE: 2525600 -188.181 29.6731 -371.547 -48.0593 -221.006 -22.6356 -286.907 -114.903 124.334 PRESSAVG: 2525600 -4.91069 7.22393 -58.6288 7.22398 -0.277111 0.564089 -58.6288 0.56411 2.38889 GPRESSAVG: 2525600 -4.70917 8.40766 -59.454 6.07647 0.804402 2.19129 -59.1511 -1.05501 1.06158 TIMING: 2525600 CPU: 7978.72, 0.00314738/step Wall: 7978.72, 0.00314738/step, 2.1633 hours remaining, 236.007812 MB of memory in use. ENERGY: 2525600 3952.3276 20444.6143 14501.4126 258.1364 -203097.0541 2377.6338 0.0000 0.0000 52064.8065 -109498.1230 299.2172 -161562.9294 -109123.2639 298.9226 -123.4429 -94.9509 761993.9551 -0.9330 -0.9477 PRESSURE: 2525800 118.702 71.9037 156.024 71.9035 -91.3841 16.6443 156.024 16.6451 -151.849 GPRESSURE: 2525800 124.263 182.322 190.597 69.5097 -78.9361 119.742 149.472 -109.912 -75.0315 PRESSAVG: 2525800 20.447 56.3589 6.83335 56.359 -27.7349 1.87933 6.83339 1.87936 16.7554 GPRESSAVG: 2525800 20.2546 56.0277 6.15673 56.7481 -27.91 1.55772 6.18381 1.39511 17.5414 TIMING: 2525800 CPU: 7979.36, 0.0031712/step Wall: 7979.36, 0.0031712/step, 2.17949 hours remaining, 236.210938 MB of memory in use. ENERGY: 2525800 4038.5692 20614.9201 14499.2963 247.1441 -203737.2744 2922.7454 0.0000 0.0000 51842.2292 -109572.3701 297.9380 -161414.5993 -109224.1894 298.9286 -41.5102 -9.9016 761500.2601 3.1559 3.2953 PRESSURE: 2526000 -402.814 7.4363 -289.052 7.43624 -518.585 157.788 -289.053 157.788 -170.732 GPRESSURE: 2526000 -402.821 -110.333 -279.514 -101.117 -487.083 168.037 -374.896 58.6371 -111.746 PRESSAVG: 2526000 39.0203 18.038 1.12139 18.038 -48.8921 -17.7669 1.12141 -17.7669 2.23402 GPRESSAVG: 2526000 38.5713 16.4894 1.6096 16.3276 -48.8852 -19.5486 1.1387 -16.0852 2.39058 TIMING: 2526000 CPU: 7979.99, 0.00314319/step Wall: 7979.99, 0.0031432/step, 2.16007 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: 2526000 3980.8460 20598.1761 14509.6876 256.4719 -202619.4358 1940.9566 0.0000 0.0000 51940.4409 -109392.8567 298.5024 -161333.2976 -109041.9241 298.9740 -364.0435 -333.8835 762428.0934 -2.5459 -2.6411 PRESSURE: 2526200 46.1123 -171.874 10.4356 -171.874 233.305 -71.48 10.436 -71.4796 -278.63 GPRESSURE: 2526200 101.033 -280.539 15.6807 -158.206 265.794 -102.21 -67.2166 -143.797 -283.926 PRESSAVG: 2526200 11.6636 -73.4325 -55.524 -73.4325 34.6416 -27.142 -55.524 -27.1421 9.64231 GPRESSAVG: 2526200 12.9142 -74.3703 -54.9803 -70.4377 33.9786 -25.5185 -58.4847 -28.1312 8.85651 TIMING: 2526200 CPU: 7980.61, 0.00312867/step Wall: 7980.61, 0.00312867/step, 2.14992 hours remaining, 236.210938 MB of memory in use. ENERGY: 2526200 3917.2171 20587.9468 14490.8679 245.8014 -203006.3006 2628.6619 0.0000 0.0000 51966.5971 -109169.2084 298.6527 -161135.8055 -108806.3462 298.7336 0.2624 27.6337 761893.5799 18.6492 18.5831 PRESSURE: 2526400 -432.897 117.655 -160.315 117.655 -64.4117 -32.2535 -160.315 -32.2547 143.311 GPRESSURE: 2526400 -432.11 140.057 -161.833 164.927 -1.57648 -37.0922 -158.319 -65.2759 152.872 PRESSAVG: 2526400 -29.4338 -4.66925 -15.8118 -4.66924 32.3708 -50.3873 -15.8118 -50.3873 1.46535 GPRESSAVG: 2526400 -30.724 -0.99736 -15.8277 -7.88255 32.4073 -52.0961 -13.6276 -49.3716 2.97654 TIMING: 2526400 CPU: 7981.24, 0.00312672/step Wall: 7981.24, 0.00312672/step, 2.1484 hours remaining, 236.210938 MB of memory in use. ENERGY: 2526400 4034.9572 20459.6850 14462.7197 237.6349 -203322.9235 2659.7586 0.0000 0.0000 52035.5116 -109432.6565 299.0488 -161468.1681 -109075.5106 299.3678 -117.9993 -93.6047 761691.6998 1.4675 1.5533 PRESSURE: 2526600 -171.877 -118.3 120.623 -118.3 -93.3025 234.508 120.624 234.507 -49.3148 GPRESSURE: 2526600 -141.595 -57.7824 176.843 -154.764 -42.2288 166.757 -7.87576 307.266 -60.2081 PRESSAVG: 2526600 9.44946 -12.933 -36.2531 -12.9331 -31.9977 20.9893 -36.2531 20.9893 -25.1095 GPRESSAVG: 2526600 10.6049 -13.4207 -36.439 -12.8153 -32.4852 24.0483 -35.8355 20.9843 -26.0653 TIMING: 2526600 CPU: 7981.87, 0.00313934/step Wall: 7981.87, 0.00313934/step, 2.1569 hours remaining, 236.210938 MB of memory in use. ENERGY: 2526600 4028.1633 20328.0246 14466.4501 236.0829 -202830.7548 2306.5759 0.0000 0.0000 52215.0235 -109250.4345 300.0805 -161465.4580 -108883.0932 298.9065 -104.8314 -81.3439 762041.9801 -15.8859 -15.9819 PRESSURE: 2526800 48.5581 -94.7216 41.3168 -94.7217 -134.002 104.69 41.3167 104.689 -283.832 GPRESSURE: 2526800 129.464 63.554 41.384 -202.258 -71.6546 200.884 94.7613 152.092 -329.251 PRESSAVG: 2526800 2.03971 52.1574 -19.9661 52.1574 38.1291 -41.7097 -19.9661 -41.7098 -10.9588 GPRESSAVG: 2526800 1.78107 52.5461 -20.2786 52.5933 37.1778 -42.9749 -20.6122 -41.5528 -10.541 TIMING: 2526800 CPU: 7982.49, 0.00313269/step Wall: 7982.49, 0.00313269/step, 2.15216 hours remaining, 236.210938 MB of memory in use. ENERGY: 2526800 4075.3753 20364.8144 14388.0711 244.3433 -202939.2654 2569.7352 0.0000 0.0000 51912.2125 -109384.7136 298.3402 -161296.9262 -109031.1442 298.8528 -123.0920 -90.4805 762519.9414 9.7367 9.4726 PRESSURE: 2527000 -318.342 32.6944 -50.1349 32.6945 -376.524 -68.3483 -50.1352 -68.3492 -454.236 GPRESSURE: 2527000 -299.735 -19.4822 -25.8129 82.4998 -335.669 -122.498 22.2989 -118.411 -428.143 PRESSAVG: 2527000 66.6732 -8.21789 17.123 -8.21791 -50.6932 -27.8925 17.123 -27.8925 20.1574 GPRESSAVG: 2527000 66.9087 -7.65581 16.8779 -8.82067 -50.1994 -27.1715 17.5005 -27.4494 20.2114 TIMING: 2527000 CPU: 7983.12, 0.00314429/step Wall: 7983.12, 0.00314429/step, 2.15996 hours remaining, 236.210938 MB of memory in use. ENERGY: 2527000 3979.4954 20436.5777 14468.9546 252.3282 -203226.4178 2724.9284 0.0000 0.0000 51990.0496 -109374.0839 298.7875 -161364.1335 -109008.6886 299.1559 -383.0342 -354.5159 763478.7544 12.0458 12.3069 PRESSURE: 2527200 -78.0764 -121.103 168.084 -121.103 -267.554 172.773 168.084 172.774 -414.432 GPRESSURE: 2527200 -112.139 5.67452 174.555 -71.2492 -98.878 173.249 34.6365 185.532 -473.433 PRESSAVG: 2527200 -6.70804 -37.6362 -31.7243 -37.6362 17.6272 -6.2519 -31.7243 -6.25186 1.51345 GPRESSAVG: 2527200 -6.94021 -40.0254 -30.4197 -36.0252 18.9482 -7.01355 -32.735 -6.08239 0.195795 TIMING: 2527200 CPU: 7983.75, 0.00314233/step Wall: 7983.75, 0.00314233/step, 2.15843 hours remaining, 236.210938 MB of memory in use. ENERGY: 2527200 4012.1270 20482.3533 14448.9421 250.5418 -203173.6344 2491.4478 0.0000 0.0000 51924.9349 -109563.2875 298.4133 -161488.2224 -109195.9527 298.6645 -253.3542 -228.1499 761991.9868 4.1442 4.0679 PRESSURE: 2527400 -211.598 -46.2095 -157.567 -46.2093 -106.115 -58.3888 -157.567 -58.388 -119.625 GPRESSURE: 2527400 -158.068 -112.558 -119.744 -52.4389 -148.303 57.6367 3.81208 -114.829 -37.4766 PRESSAVG: 2527400 12.9741 -4.45351 -24.4216 -4.45356 -12.918 -43.2901 -24.4216 -43.2901 -1.3059 GPRESSAVG: 2527400 13.2086 -3.91528 -25.6146 -5.5419 -13.379 -42.7616 -25.8056 -42.6354 -0.91291 TIMING: 2527400 CPU: 7984.38, 0.00314034/step Wall: 7984.38, 0.00314034/step, 2.15689 hours remaining, 236.210938 MB of memory in use. ENERGY: 2527400 3943.3553 20564.5753 14429.7309 246.4787 -203671.5257 2896.5044 0.0000 0.0000 52020.2983 -109570.5828 298.9614 -161590.8812 -109210.8666 298.5693 -145.7793 -114.6159 763170.0443 -0.4166 -0.3611 PRESSURE: 2527600 -69.3171 44.9665 0.11664 44.9672 -149.333 81.5926 0.116342 81.5922 -853.338 GPRESSURE: 2527600 -36.8673 157.259 -107.419 65.1435 -183.375 4.59852 160.517 47.8589 -761.897 PRESSAVG: 2527600 -1.03399 -29.5097 0.0756064 -29.5097 -6.67265 -58.6408 0.0755929 -58.6409 -2.66654 GPRESSAVG: 2527600 -0.971598 -28.3074 1.64378 -28.4108 -7.19108 -60.172 -0.371233 -59.6913 -2.66091 TIMING: 2527600 CPU: 7985, 0.00312417/step Wall: 7985, 0.00312417/step, 2.14561 hours remaining, 236.210938 MB of memory in use. ENERGY: 2527600 3992.0713 20500.0321 14492.0979 249.2813 -203152.4918 2460.1960 0.0000 0.0000 52174.1428 -109284.6702 299.8455 -161458.8131 -108932.1547 299.0621 -357.3293 -327.3800 762150.5477 -3.4577 -3.6079 PRESSURE: 2527800 107.451 99.5944 84.7582 99.5946 -144.278 -391.307 84.7578 -391.306 -360.794 GPRESSURE: 2527800 101.833 83.2031 89.3996 13.1436 -40.938 -331.777 75.2049 -205.83 -383.882 PRESSAVG: 2527800 14.2486 11.0912 -40.4528 11.0912 -5.29514 -5.64061 -40.4528 -5.64066 -4.88304 GPRESSAVG: 2527800 15.5556 11.7399 -43.7636 8.47931 -5.79847 -5.1705 -36.6331 -5.57296 -5.55016 TIMING: 2527800 CPU: 7985.63, 0.00314782/step Wall: 7985.63, 0.00314782/step, 2.16168 hours remaining, 236.210938 MB of memory in use. ENERGY: 2527800 3994.7380 20452.8241 14382.6540 251.4307 -202988.5110 2533.9039 0.0000 0.0000 52154.6340 -109218.3263 299.7334 -161372.9603 -108857.1539 299.6195 -132.5402 -107.6621 762799.0413 1.3568 1.4023 PRESSURE: 2528000 -73.4818 114.313 -105.056 114.313 -46.9043 -208.759 -105.055 -208.759 -130.395 GPRESSURE: 2528000 -154.44 109.644 -139.362 45.8964 -32.6208 -169.46 -69.1818 -265.532 5.8761 PRESSAVG: 2528000 31.1628 5.71384 -36.5955 5.7138 -27.7269 17.7895 -36.5955 17.7895 -7.40318 GPRESSAVG: 2528000 30.1485 3.75254 -34.8401 7.34842 -26.2903 17.9956 -37.0684 18.2465 -7.81911 TIMING: 2528000 CPU: 7986.26, 0.00313308/step Wall: 7986.26, 0.00313308/step, 2.15138 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: 2528000 3899.7026 20601.9472 14386.6905 248.3613 -203391.5945 2749.4614 0.0000 0.0000 52059.2203 -109446.2113 299.1851 -161505.4315 -109089.3859 299.2282 -83.5936 -60.3947 762467.6681 -1.3224 -1.3203 PRESSURE: 2528200 -425.122 18.6388 -184.013 18.6398 -169.467 164.624 -184.013 164.624 69.5635 GPRESSURE: 2528200 -366.332 -89.2304 -264.479 125.441 -166.399 71.3796 -61.3543 225.201 70.1693 PRESSAVG: 2528200 -10.6936 -21.1677 -55.3644 -21.1676 15.1114 -28.2691 -55.3644 -28.2691 1.8736 GPRESSAVG: 2528200 -11.2101 -20.7489 -56.7079 -19.2751 13.5505 -27.8414 -55.5959 -28.9768 3.33935 TIMING: 2528200 CPU: 7986.89, 0.00316332/step Wall: 7986.89, 0.00316332/step, 2.17197 hours remaining, 236.210938 MB of memory in use. ENERGY: 2528200 3992.1401 20679.6542 14409.9530 245.8278 -203279.5071 2455.4739 0.0000 0.0000 52004.6359 -109491.8221 298.8714 -161496.4580 -109131.8385 299.0325 -175.0086 -154.1872 760466.7151 2.0972 1.8932 LDB: ============= START OF LOAD BALANCING ============== 7999.42 LDB: ============== END OF LOAD BALANCING =============== 7999.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7999.42 LDB: ============= START OF LOAD BALANCING ============== 7999.74 LDB: Largest compute 7057 load 0.031449 is 16.1% of average load 0.195580 LDB: Average compute 0.004383 is 2.2% of average load 0.195580 LDB: TIME 7999.74 LOAD: AVG 0.19558 MAX 0.21397 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.219 MB LDB: TIME 7999.74 LOAD: AVG 0.19558 MAX 0.21397 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.258 MB LDB: TIME 7999.74 LOAD: AVG 0.19558 MAX 0.21397 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.258 MB LDB: ============== END OF LOAD BALANCING =============== 7999.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7999.75 PRESSURE: 2528400 122.482 236.634 -228.342 236.634 -120.498 100.883 -228.342 100.884 -79.6704 GPRESSURE: 2528400 161.271 187.639 -198.032 262.613 -76.3737 145.298 -251.84 172.43 -65.9287 PRESSAVG: 2528400 4.26928 -10.0497 18.5538 -10.0496 22.7304 -35.417 18.5537 -35.417 1.21017 GPRESSAVG: 2528400 5.25868 -8.5743 18.7951 -10.6747 22.6881 -36.5494 18.4852 -35.2053 0.598299 TIMING: 2528400 CPU: 7987.53, 0.00320977/step Wall: 7987.53, 0.00320977/step, 2.20368 hours remaining, 235.511719 MB of memory in use. ENERGY: 2528400 3953.7600 20511.3933 14469.0391 264.4267 -203524.3903 2880.9261 0.0000 0.0000 51991.9597 -109452.8853 298.7985 -161444.8450 -109089.7997 299.4581 -25.8956 6.3230 759731.6979 9.4033 9.5150 PRESSURE: 2528600 -284.609 -69.3561 215.392 -69.3561 -76.5602 28.86 215.391 28.8604 317.117 GPRESSURE: 2528600 -179.002 7.89497 290.251 86.8451 -17.4239 -2.561 256.388 30.5773 253.598 PRESSAVG: 2528600 -43.6864 10.5364 -14.249 10.5364 73.1504 -17.356 -14.249 -17.356 22.8554 GPRESSAVG: 2528600 -46.0119 10.0423 -14.6086 8.78215 75.0107 -15.4051 -16.1497 -16.9631 23.2967 TIMING: 2528600 CPU: 7988.16, 0.00315868/step Wall: 7988.16, 0.00315868/step, 2.16844 hours remaining, 235.511719 MB of memory in use. ENERGY: 2528600 3898.6721 20546.1713 14443.6163 236.7048 -203611.6937 2846.9561 0.0000 0.0000 52017.3863 -109622.1868 298.9446 -161639.5731 -109258.5771 299.1369 -14.6841 19.0574 760750.4187 17.4398 17.4318 PRESSURE: 2528800 388.644 -256.151 -47.3083 -256.15 258.224 -266.242 -47.3083 -266.241 -165.96 GPRESSURE: 2528800 455.622 -248.659 1.95207 -229.121 255.296 -291.235 -9.59843 -242.429 -137.455 PRESSAVG: 2528800 2.96509 -5.91007 -0.430542 -5.91003 56.8669 -25.2962 -0.430484 -25.2962 -3.8547 GPRESSAVG: 2528800 3.25314 -3.48145 -0.559193 -4.3349 55.9975 -26.0388 2.55321 -26.3826 -3.97278 TIMING: 2528800 CPU: 7988.8, 0.00316471/step Wall: 7988.8, 0.00316471/step, 2.1724 hours remaining, 235.511719 MB of memory in use. ENERGY: 2528800 3923.2592 20654.1085 14519.7829 246.7157 -204267.1297 3182.8210 0.0000 0.0000 52197.2215 -109543.2210 299.9781 -161740.4425 -109184.6882 299.2442 160.3026 191.1541 760172.0356 18.6591 18.4260 PRESSURE: 2529000 33.9983 -155.559 178.875 -155.559 45.0201 -59.5541 178.874 -59.5543 530.394 GPRESSURE: 2529000 30.5987 -161.422 199.622 -204.585 42.4598 -171.424 82.6471 35.4816 607.672 PRESSAVG: 2529000 1.44134 -62.3957 71.4847 -62.3957 -6.97735 -63.5306 71.4846 -63.5306 -6.62181 GPRESSAVG: 2529000 2.22321 -64.8857 73.2342 -63.0154 -8.04964 -64.2699 69.8017 -62.0263 -6.01039 TIMING: 2529000 CPU: 7989.43, 0.00314861/step Wall: 7989.43, 0.00314861/step, 2.16117 hours remaining, 235.511719 MB of memory in use. ENERGY: 2529000 3994.5245 20773.8885 14390.8806 263.6797 -203477.5759 2619.1346 0.0000 0.0000 51943.7786 -109491.6893 298.5216 -161435.4679 -109134.1144 299.1694 203.1375 226.9101 761463.3572 -4.0526 -3.9456 PRESSURE: 2529200 -70.69 -82.6809 192.232 -82.6817 103.692 207.947 192.231 207.947 -16.5768 GPRESSURE: 2529200 -57.8894 -52.7215 200.205 -111.414 138.711 244.409 153.948 73.6445 9.4369 PRESSAVG: 2529200 -0.493787 -10.8637 30.1864 -10.8637 -10.2463 -0.0706875 30.1864 -0.0707499 2.29405 GPRESSAVG: 2529200 -1.40203 -8.42663 31.025 -12.9575 -9.95061 -0.501404 27.7931 -2.78849 2.27747 TIMING: 2529200 CPU: 7990.06, 0.00314248/step Wall: 7990.06, 0.00314248/step, 2.15679 hours remaining, 235.511719 MB of memory in use. ENERGY: 2529200 4027.9285 20785.6776 14343.6161 245.7607 -203731.4691 2789.4082 0.0000 0.0000 52287.4822 -109251.5958 300.4969 -161539.0780 -108884.5934 299.8810 5.4751 30.0862 760318.4508 -2.8153 -3.0251 PRESSURE: 2529400 -231.065 91.465 127.286 91.4653 -194.16 88.0309 127.287 88.0312 142.18 GPRESSURE: 2529400 -76.0579 97.0461 120.028 83.7527 -154.956 104.23 82.0523 152.229 53.1268 PRESSAVG: 2529400 -60.4605 -12.0461 38.07 -12.0461 66.1249 -10.256 38.0699 -10.256 13.5494 GPRESSAVG: 2529400 -59.5176 -14.192 34.5862 -8.41684 66.1271 -11.3252 40.9895 -8.38659 12.326 TIMING: 2529400 CPU: 7990.68, 0.00312878/step Wall: 7990.68, 0.00312878/step, 2.14721 hours remaining, 235.511719 MB of memory in use. ENERGY: 2529400 4065.7408 20527.1013 14491.0681 246.1644 -203284.4244 2533.5547 0.0000 0.0000 52310.8926 -109109.9026 300.6314 -161420.7952 -108748.0362 300.3123 -94.3483 -59.2956 760020.6867 6.4046 6.3118 PRESSURE: 2529600 -408.168 -46.8966 58.1443 -46.8969 196.771 -31.3302 58.1446 -31.3318 -221.538 GPRESSURE: 2529600 -268.561 -48.7955 66.7268 -52.3601 67.5843 28.7654 -38.6096 -85.8894 -147.833 PRESSAVG: 2529600 0.499508 -1.41793 23.7709 -1.41793 39.3117 35.5121 23.7709 35.5122 1.03984 GPRESSAVG: 2529600 0.275625 -1.20623 25.4764 -3.53372 39.2817 38.3382 23.2535 33.7945 1.52074 TIMING: 2529600 CPU: 7991.31, 0.00315252/step Wall: 7991.31, 0.00315252/step, 2.16333 hours remaining, 235.511719 MB of memory in use. ENERGY: 2529600 4031.7409 20724.6730 14455.9431 241.4582 -203080.5469 2324.4950 0.0000 0.0000 52127.8692 -109174.3676 299.5796 -161302.2368 -108817.8370 299.8329 -144.3116 -116.2699 760779.1443 13.6170 13.6927 PRESSURE: 2529800 45.7058 55.934 66.1098 55.9338 -8.50144 -80.926 66.1092 -80.9263 116.775 GPRESSURE: 2529800 6.50338 131.689 64.0054 -1.24515 53.3065 -111.429 129.334 -36.5355 168.615 PRESSAVG: 2529800 -27.8713 -4.45991 76.1407 -4.45989 32.9809 32.3579 76.1408 32.3578 9.68193 GPRESSAVG: 2529800 -27.1211 -5.21663 75.8298 -3.66205 32.7977 31.3092 75.8926 36.2063 8.96204 TIMING: 2529800 CPU: 7991.94, 0.00313006/step Wall: 7991.94, 0.00313006/step, 2.14774 hours remaining, 235.511719 MB of memory in use. ENERGY: 2529800 4067.3439 20573.8845 14532.9791 258.3993 -203413.4850 2727.6053 0.0000 0.0000 51945.5672 -109307.7058 298.5319 -161253.2730 -108956.9258 299.9570 51.3265 76.1415 760536.7619 4.9305 4.8796 PRESSURE: 2530000 97.8771 -28.3339 11.0873 -28.3336 234.024 -7.33807 11.0874 -7.33744 -309.251 GPRESSURE: 2530000 201.355 -155.754 23.7448 -44.6653 193.372 36.4832 19.9177 -96.6135 -268.212 PRESSAVG: 2530000 -0.759938 -33.7634 23.1232 -33.7633 -58.9966 -38.6005 23.1232 -38.6005 11.6188 GPRESSAVG: 2530000 -0.0407188 -34.0976 22.1262 -34.5368 -58.6861 -37.0161 24.0497 -39.611 10.9106 TIMING: 2530000 CPU: 7992.57, 0.00314271/step Wall: 7992.57, 0.00314271/step, 2.15625 hours remaining, 235.511719 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: 2530000 4050.9222 20763.2469 14366.3502 269.2313 -203600.5987 2715.0776 0.0000 0.0000 52102.2597 -109333.5109 299.4324 -161435.7706 -108977.9381 299.8280 7.5500 42.1721 760608.3154 -16.0459 -15.9387 PRESSURE: 2530200 403.511 -120.966 295.649 -120.966 218.097 -21.5454 295.649 -21.5461 -177.637 GPRESSURE: 2530200 363.314 -21.7837 361.894 -139.399 305.421 -56.7571 264.34 -13.658 -145.659 PRESSAVG: 2530200 28.6926 -7.80619 47.1706 -7.80614 -62.6538 -22.4815 47.1706 -22.4814 -21.2201 GPRESSAVG: 2530200 27.7615 -4.93467 49.1136 -7.39201 -64.0377 -21.6886 45.364 -25.0629 -18.4577 TIMING: 2530200 CPU: 7993.2, 0.00314184/step Wall: 7993.2, 0.00314184/step, 2.15548 hours remaining, 235.511719 MB of memory in use. ENERGY: 2530200 3958.2787 20501.7380 14394.4173 217.6409 -203287.1066 2679.7002 0.0000 0.0000 52012.8207 -109522.5108 298.9184 -161535.3316 -109155.8570 298.9357 147.9903 174.3587 761193.9870 -18.3937 -18.2446 PRESSURE: 2530400 -46.4218 18.8545 168.405 18.8542 209.662 -3.58559 168.405 -3.58642 237.185 GPRESSURE: 2530400 -75.2166 34.6282 182.618 -105.132 272.71 -18.1075 158.167 36.4852 276.113 PRESSAVG: 2530400 -8.26279 -51.3563 11.2319 -51.3563 -1.91615 -37.6986 11.2318 -37.6986 -5.81979 GPRESSAVG: 2530400 -8.96688 -51.6013 10.4471 -51.4135 -0.252108 -39.4321 11.1225 -35.2821 -7.35584 TIMING: 2530400 CPU: 7993.82, 0.00313399/step Wall: 7993.82, 0.00313399/step, 2.14991 hours remaining, 235.511719 MB of memory in use. ENERGY: 2530400 4017.6475 20410.0286 14429.6574 250.2491 -203648.8503 2795.4658 0.0000 0.0000 52300.5638 -109445.2382 300.5721 -161745.8019 -109090.0160 299.3349 133.4749 157.8690 761938.5283 -5.3329 -5.5249 PRESSURE: 2530600 32.9458 -218.318 -310.198 -218.318 -164.277 -49.5151 -310.198 -49.5147 262.383 GPRESSURE: 2530600 125.773 -174.846 -303.467 -160.484 -107.667 -91.309 -213.663 24.5017 211.77 PRESSAVG: 2530600 -33.8254 -84.5438 -1.51766 -84.5438 27.112 23.3307 -1.51765 23.3308 16.3931 GPRESSAVG: 2530600 -32.5868 -83.7474 -3.51875 -86.1126 25.7358 25.1471 1.53355 22.5215 16.705 TIMING: 2530600 CPU: 7994.45, 0.00313983/step Wall: 7994.45, 0.00313983/step, 2.15375 hours remaining, 235.511719 MB of memory in use. ENERGY: 2530600 3983.8292 20460.0429 14462.4100 241.2316 -203485.1285 2700.3448 0.0000 0.0000 52271.6171 -109365.6529 300.4057 -161637.2700 -109011.2202 299.3012 43.6838 76.6254 760501.2186 3.2266 3.2846 PRESSURE: 2530800 -85.8438 -49.9947 -285.255 -49.9944 -70.7969 -42.9499 -285.255 -42.9503 222.366 GPRESSURE: 2530800 -79.2741 21.5664 -179.731 -28.0242 41.493 -102.829 -459.833 -71.1101 190.468 PRESSAVG: 2530800 23.2876 -25.4378 -33.6439 -25.4379 13.6076 5.33977 -33.6438 5.33976 -5.98917 GPRESSAVG: 2530800 22.95 -28.5974 -33.7954 -21.8814 14.2342 4.01162 -36.3786 5.43094 -6.58176 TIMING: 2530800 CPU: 7995.08, 0.00314854/step Wall: 7995.08, 0.00314854/step, 2.15955 hours remaining, 235.511719 MB of memory in use. ENERGY: 2530800 3999.7047 20747.5489 14528.2507 233.7068 -203195.4332 2677.5808 0.0000 0.0000 51806.5373 -109202.1039 297.7329 -161008.6413 -108850.1450 299.8860 21.9083 50.8957 762197.7531 10.3020 10.2008 PRESSURE: 2531000 -120.77 -4.94528 -99.1137 -4.9459 66.4019 19.6096 -99.1133 19.6101 -254.647 GPRESSURE: 2531000 -62.1446 13.6232 -64.8269 -9.01542 62.2667 52.7902 24.8662 45.1871 -236.9 PRESSAVG: 2531000 5.62911 -24.8829 -19.637 -24.8828 7.66713 -4.64542 -19.637 -4.64547 15.6408 GPRESSAVG: 2531000 5.19777 -24.133 -18.9374 -27.6826 7.51533 -6.64643 -18.5268 -3.52791 16.2964 TIMING: 2531000 CPU: 7995.71, 0.00313219/step Wall: 7995.71, 0.00313219/step, 2.14816 hours remaining, 235.511719 MB of memory in use. ENERGY: 2531000 4043.8505 20590.8902 14459.3787 224.9533 -203596.5181 2812.8682 0.0000 0.0000 52426.5145 -109038.0627 301.2959 -161464.5772 -108658.3739 300.3473 -103.0051 -78.9259 761588.1714 9.6457 9.6698 PRESSURE: 2531200 -96.2036 58.8565 177.468 58.8561 -376.658 21.5584 177.469 21.5577 -73.4373 GPRESSURE: 2531200 -74.6856 -28.1365 234.725 67.2736 -290.527 -38.3359 158.265 -78.8329 -106.384 PRESSAVG: 2531200 -38.037 -24.6817 23.8998 -24.6817 -8.27999 -33.5953 23.8999 -33.5953 -5.56005 GPRESSAVG: 2531200 -37.1979 -25.2897 26.651 -24.7209 -8.54356 -33.2443 24.312 -34.1897 -6.58097 TIMING: 2531200 CPU: 7996.33, 0.00312686/step Wall: 7996.33, 0.00312686/step, 2.14433 hours remaining, 235.511719 MB of memory in use. ENERGY: 2531200 3993.6528 20650.4713 14473.6754 245.1237 -203516.9024 2695.4504 0.0000 0.0000 52157.3234 -109301.2054 299.7489 -161458.5288 -108936.0876 300.3190 -182.0997 -157.1988 762657.2637 -17.2923 -17.4408 PRESSURE: 2531400 92.884 100.706 150.116 100.705 -248.035 -57.5002 150.116 -57.5012 15.047 GPRESSURE: 2531400 130.115 77.458 101.539 86.6601 -259.773 6.08718 125.232 -58.4727 82.6034 PRESSAVG: 2531400 -38.4508 -33.4566 -22.0032 -33.4567 27.5599 -65.1831 -22.0033 -65.1831 26.2534 GPRESSAVG: 2531400 -39.5273 -33.7273 -23.3618 -32.6914 28.2221 -64.0691 -23.5587 -65.0232 26.5588 TIMING: 2531400 CPU: 7996.96, 0.00315129/step Wall: 7996.96, 0.00315129/step, 2.16091 hours remaining, 235.511719 MB of memory in use. ENERGY: 2531400 3963.0353 20706.2863 14428.9283 243.8241 -203643.7057 2806.9592 0.0000 0.0000 52259.8256 -109234.8469 300.3379 -161494.6725 -108880.6737 299.9110 -46.7012 -15.6848 761122.7417 5.1208 5.0845 PRESSURE: 2531600 149.586 -46.6618 -82.9259 -46.6617 109.681 133.824 -82.926 133.824 87.4366 GPRESSURE: 2531600 326.156 22.0099 -44.3151 112.902 59.2564 50.1804 17.5172 145.98 64.5077 PRESSAVG: 2531600 30.0238 -32.9746 -9.47295 -32.9745 -6.85673 -51.4529 -9.47292 -51.4529 16.7001 GPRESSAVG: 2531600 31.5973 -32.1202 -9.12099 -30.9707 -8.75608 -52.6152 -9.88207 -51.3758 16.5952 TIMING: 2531600 CPU: 7997.59, 0.00313499/step Wall: 7997.59, 0.00313499/step, 2.14956 hours remaining, 235.511719 MB of memory in use. ENERGY: 2531600 4059.9092 20680.1853 14489.7341 262.5052 -203285.8713 2545.6902 0.0000 0.0000 51950.4371 -109297.4101 298.5599 -161247.8472 -108946.1973 299.3249 115.5679 149.9733 759832.2223 13.2891 13.1455 PRESSURE: 2531800 -129.814 -172.58 -205.053 -172.58 -115.373 -75.7822 -205.054 -75.7834 -363 GPRESSURE: 2531800 -27.2447 -234.696 -132.924 -206.409 -207.134 -9.4639 -154.839 -18.4267 -291.889 PRESSAVG: 2531800 23.2559 -47.5391 -15.5774 -47.5392 -46.0117 1.71662 -15.5774 1.71664 -0.0532352 GPRESSAVG: 2531800 22.7638 -48.2827 -16.4982 -48.9594 -43.9991 1.77053 -15.0618 2.47083 -1.03991 TIMING: 2531800 CPU: 7998.22, 0.00313775/step Wall: 7998.22, 0.00313775/step, 2.15128 hours remaining, 235.511719 MB of memory in use. ENERGY: 2531800 4078.2906 20564.4435 14444.6536 234.7231 -203336.9288 2615.8211 0.0000 0.0000 52192.4633 -109206.5336 299.9508 -161398.9969 -108858.4955 299.6454 -202.7288 -175.4226 761988.7774 -7.6030 -7.4251 PRESSURE: 2532000 296.668 -191.182 15.1782 -191.182 8.97793 64.5204 15.1775 64.5201 -44.7829 GPRESSURE: 2532000 308.863 -247.381 10.7413 -191.39 133.057 70.1196 -92.0316 151.387 -86.8939 PRESSAVG: 2532000 -2.96127 -57.8528 31.5057 -57.8528 7.55605 -3.73373 31.5057 -3.73372 -7.33013 GPRESSAVG: 2532000 -3.74952 -59.2249 31.9117 -57.5746 6.90499 -4.46201 32.85 -4.24534 -6.08078 TIMING: 2532000 CPU: 7998.84, 0.00313086/step Wall: 7998.84, 0.00313086/step, 2.14638 hours remaining, 235.511719 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: 2532000 3972.4810 20543.0300 14439.2512 255.8222 -203193.3137 2673.9655 0.0000 0.0000 52174.0793 -109134.6846 299.8452 -161308.7639 -108766.2754 299.7289 86.9543 118.3418 762158.3481 -0.9118 -0.9751 PRESSURE: 2532200 -227.341 -136.534 193.392 -136.533 218.163 129.185 193.392 129.186 -5.0398 GPRESSURE: 2532200 -156.358 -110.1 128.6 -117.303 197.955 188.069 215.695 188.517 27.5635 PRESSAVG: 2532200 -23.8448 -27.4244 9.12276 -27.4243 16.917 19.0918 9.12278 19.0918 -26.6075 GPRESSAVG: 2532200 -24.0029 -26.1862 8.09885 -26.8187 17.2856 20.9192 7.91657 17.6124 -26.5946 TIMING: 2532200 CPU: 7999.47, 0.00315243/step Wall: 7999.47, 0.00315243/step, 2.16099 hours remaining, 235.511719 MB of memory in use. ENERGY: 2532200 3988.4144 20696.3588 14448.2244 259.0101 -203426.4013 2684.8970 0.0000 0.0000 52352.1239 -108997.3726 300.8684 -161349.4965 -108638.6396 299.9248 -4.7391 23.0536 761735.2814 -11.1784 -11.1040 LDB: ============= START OF LOAD BALANCING ============== 8012 LDB: ============== END OF LOAD BALANCING =============== 8012 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8012.01 LDB: ============= START OF LOAD BALANCING ============== 8012.32 LDB: Largest compute 7058 load 0.029022 is 14.8% of average load 0.195537 LDB: Average compute 0.004402 is 2.3% of average load 0.195537 LDB: TIME 8012.32 LOAD: AVG 0.195537 MAX 0.21414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.215 MB LDB: TIME 8012.32 LOAD: AVG 0.195537 MAX 0.21414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: TIME 8012.32 LOAD: AVG 0.195537 MAX 0.21414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: ============== END OF LOAD BALANCING =============== 8012.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8012.33 PRESSURE: 2532400 205.277 -76.4481 82.5505 -76.4475 -326.031 17.6653 82.5496 17.6649 -227.611 GPRESSURE: 2532400 230.729 -69.0762 57.449 119.741 -238.578 113.999 20.5959 84.5619 -236.389 PRESSAVG: 2532400 35.9493 -50.1801 40.4248 -50.1801 1.55884 1.77122 40.4247 1.77128 -19.6804 GPRESSAVG: 2532400 35.9532 -48.1425 41.7178 -52.1473 1.46392 1.09466 41.5665 5.60536 -19.5918 TIMING: 2532400 CPU: 8000.11, 0.00320122/step Wall: 8000.11, 0.00320122/step, 2.19426 hours remaining, 235.570312 MB of memory in use. ENERGY: 2532400 4077.7254 20552.1550 14512.0388 269.0183 -203024.4496 2546.2339 0.0000 0.0000 52103.4197 -108963.8586 299.4391 -161067.2783 -108597.4180 300.8775 -116.1215 -81.4127 760119.4415 5.9426 5.9418 PRESSURE: 2532600 -171.437 -176.446 72.6295 -176.446 36.1098 -80.565 72.6292 -80.5654 -18.4614 GPRESSURE: 2532600 -39.7549 -107.668 144.209 -170.583 53.516 -75.2439 -27.4794 -151.269 -59.8431 PRESSAVG: 2532600 -1.65209 -13.328 81.2953 -13.328 16.9096 0.971685 81.2953 0.971655 -7.14247 GPRESSAVG: 2532600 -1.7777 -14.854 82.0963 -11.9964 17.3129 -1.02685 79.3332 -0.816586 -7.89107 TIMING: 2532600 CPU: 8000.74, 0.00314831/step Wall: 8000.74, 0.00314831/step, 2.15782 hours remaining, 235.570312 MB of memory in use. ENERGY: 2532600 3963.1473 20605.4578 14496.2587 258.8609 -203502.6483 2815.1091 0.0000 0.0000 52318.2562 -109045.5583 300.6737 -161363.8146 -108670.7129 300.1994 -51.2629 -15.3607 761058.3906 2.7050 2.5480 PRESSURE: 2532800 229.129 -33.6553 197.649 -33.6554 196.178 148.11 197.649 148.111 -27.2531 GPRESSURE: 2532800 233.809 -122.793 148.378 -49.5063 212.124 163.753 167.353 225.491 47.5737 PRESSAVG: 2532800 -36.117 -23.7527 38.0807 -23.7527 42.7497 8.78827 38.0806 8.78821 7.89524 GPRESSAVG: 2532800 -36.0667 -24.0174 37.5101 -24.0384 41.8196 9.61982 37.7696 7.72784 8.92203 TIMING: 2532800 CPU: 8001.37, 0.00314099/step Wall: 8001.37, 0.00314099/step, 2.15263 hours remaining, 235.570312 MB of memory in use. ENERGY: 2532800 4078.0169 20699.3744 14458.6790 250.1007 -203687.9629 2894.1022 0.0000 0.0000 52115.6828 -109192.0070 299.5095 -161307.6898 -108835.8979 300.6231 132.6847 164.5023 761392.0096 4.8426 4.8917 PRESSURE: 2533000 -24.6859 -164.69 222.836 -164.69 221.935 -91.8692 222.837 -91.8689 445.3 GPRESSURE: 2533000 -2.92216 -135.094 266.807 -137.442 272.837 -104.781 150.364 35.4891 435.21 PRESSAVG: 2533000 -32.0336 -28.2332 146.213 -28.2331 22.1891 49.9425 146.213 49.9424 20.032 GPRESSAVG: 2533000 -31.9101 -27.3102 146.921 -30.1132 21.9773 51.0358 148.667 51.0921 19.9157 TIMING: 2533000 CPU: 8002, 0.00314431/step Wall: 8002, 0.00314431/step, 2.15472 hours remaining, 235.570312 MB of memory in use. ENERGY: 2533000 3879.3265 20665.1547 14390.5108 250.1354 -203387.3972 2751.6640 0.0000 0.0000 51983.2308 -109467.3749 298.7483 -161450.6058 -109097.7752 299.5149 214.1830 235.0414 762065.7066 3.3958 3.3276 PRESSURE: 2533200 154.551 -207.006 3.53696 -207.006 -50.0434 -58.3071 3.53638 -58.3071 81.9621 GPRESSURE: 2533200 248.902 -108.738 -91.2953 -171.304 -72.4046 -135.566 39.4504 -12.0379 78.398 PRESSAVG: 2533200 -34.0438 18.9058 54.6929 18.9058 12.5276 24.9318 54.6929 24.9319 -2.20733 GPRESSAVG: 2533200 -34.0421 18.2627 51.9502 20.4791 13.1098 24.5897 55.3342 23.9809 -3.06798 TIMING: 2533200 CPU: 8002.63, 0.00314436/step Wall: 8002.63, 0.00314436/step, 2.15458 hours remaining, 235.570312 MB of memory in use. ENERGY: 2533200 4038.6087 20640.7344 14445.3624 243.2866 -203700.4501 2814.1464 0.0000 0.0000 52242.4071 -109275.9045 300.2378 -161518.3116 -108913.5718 299.3143 62.1565 84.9651 759132.2337 -7.9078 -8.0001 PRESSURE: 2533400 167.507 142.884 25.9164 142.883 281.273 -181.029 25.9173 -181.028 -81.3052 GPRESSURE: 2533400 170.211 137.191 14.4016 83.3501 314.362 -111.321 -4.64059 -121.897 -26.4088 PRESSAVG: 2533400 4.12402 -19.2898 37.6912 -19.2899 16.4515 -1.48393 37.6912 -1.48397 6.16613 GPRESSAVG: 2533400 4.62573 -19.0188 39.4746 -18.7574 15.8041 -0.202475 37.5175 -2.46591 6.26946 TIMING: 2533400 CPU: 8003.26, 0.00315935/step Wall: 8003.26, 0.00315935/step, 2.16468 hours remaining, 235.570312 MB of memory in use. ENERGY: 2533400 4025.9532 20596.4961 14363.3956 255.6869 -203443.5125 2699.4716 0.0000 0.0000 52235.0024 -109267.5066 300.1953 -161502.5090 -108898.8862 299.7110 122.4916 152.7212 761227.3370 8.9139 8.8998 PRESSURE: 2533600 -19.5776 118.669 255.003 118.669 189.038 53.197 255.002 53.1968 172.016 GPRESSURE: 2533600 99.8578 64.2401 297.55 14.3694 140.857 40.9836 127.743 152.274 197.182 PRESSAVG: 2533600 56.8829 -16.84 51.4383 -16.84 -12.8265 -3.0915 51.4383 -3.09147 -15.4945 GPRESSAVG: 2533600 55.3695 -18.3449 51.6705 -17.1174 -12.355 -3.35377 49.3895 -1.10541 -15.2697 TIMING: 2533600 CPU: 8003.89, 0.0031484/step Wall: 8003.89, 0.0031484/step, 2.157 hours remaining, 235.570312 MB of memory in use. ENERGY: 2533600 3974.3382 20512.6882 14460.5751 247.7467 -203427.1079 2715.4017 0.0000 0.0000 52362.3179 -109154.0400 300.9270 -161516.3580 -108786.9452 299.7671 113.8256 145.9657 760037.0455 9.5207 9.2483 PRESSURE: 2533800 -492.822 8.75068 232.452 8.75145 -273.182 -127.901 232.452 -127.901 -18.2082 GPRESSURE: 2533800 -369.311 -15.1853 189.595 136.221 -273.724 -152.754 226.016 -56.3643 -49.8274 PRESSAVG: 2533800 -12.8047 -36.1747 74.7372 -36.1747 -19.9909 15.5403 74.7372 15.5401 -27.9652 GPRESSAVG: 2533800 -13.038 -34.1062 73.3819 -37.5063 -19.5839 15.2128 75.9285 15.7398 -28.269 TIMING: 2533800 CPU: 8004.52, 0.00314847/step Wall: 8004.52, 0.00314847/step, 2.15688 hours remaining, 235.570312 MB of memory in use. ENERGY: 2533800 4021.7027 20646.1604 14478.4307 254.3563 -202933.8678 2238.6303 0.0000 0.0000 51959.5884 -109334.9991 298.6125 -161294.5875 -108982.8027 299.2393 -261.4040 -230.9540 762939.0464 -20.2536 -20.2970 PRESSURE: 2534000 317.526 -57.1871 -41.1798 -57.1866 204.237 -116.386 -41.1796 -116.385 165.948 GPRESSURE: 2534000 296.709 57.6057 -53.7482 -3.74605 233.644 -40.9464 -6.75154 -247.301 212.918 PRESSAVG: 2534000 12.03 -81.9639 57.5663 -81.9638 -31.595 -23.6072 57.5663 -23.6072 0.542241 GPRESSAVG: 2534000 13.2416 -82.5019 56.179 -81.6252 -33.2554 -23.1656 57.5436 -25.4607 1.20175 TIMING: 2534000 CPU: 8005.15, 0.00313742/step Wall: 8005.15, 0.00313742/step, 2.14914 hours remaining, 235.773438 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: 2534000 3970.6472 20706.8938 14501.6406 237.7656 -203141.6099 2448.0397 0.0000 0.0000 52029.5067 -109247.1163 299.0143 -161276.6230 -108880.9292 299.5066 229.2369 247.7571 762164.5616 -6.3409 -6.2707 PRESSURE: 2534200 214.049 -124.411 -2.15936 -124.411 -143.876 69.4099 -2.1591 69.4105 -57.4345 GPRESSURE: 2534200 182.415 -263.091 26.8737 -63.1248 -97.8997 53.0053 98.2769 -49.6735 -21.6145 PRESSAVG: 2534200 18.5097 -30.2333 -37.1789 -30.2332 16.7187 -48.3052 -37.1789 -48.3053 18.9231 GPRESSAVG: 2534200 17.4208 -30.1791 -34.2714 -29.3423 18.3385 -48.9629 -36.9485 -50.022 19.075 TIMING: 2534200 CPU: 8005.78, 0.00314578/step Wall: 8005.78, 0.00314578/step, 2.15468 hours remaining, 235.773438 MB of memory in use. ENERGY: 2534200 3970.3365 20692.3255 14455.4398 248.1986 -203429.7208 2730.6592 0.0000 0.0000 52117.8010 -109214.9602 299.5217 -161332.7613 -108844.8362 299.9524 4.2462 20.9670 761377.1154 18.0505 18.2781 PRESSURE: 2534400 223.109 -104.136 -240.281 -104.136 21.7095 -45.7654 -240.282 -45.765 -224.969 GPRESSURE: 2534400 358.832 -34.6675 -287.855 29.8381 -15.5023 11.5329 -195.605 -32.6385 -246.652 PRESSAVG: 2534400 66.3161 -38.5537 15.0463 -38.5536 -17.6737 19.2207 15.0462 19.2207 1.78307 GPRESSAVG: 2534400 68.7587 -38.0584 13.6086 -40.5829 -18.901 19.5405 14.6652 22.4568 0.929947 TIMING: 2534400 CPU: 8006.4, 0.00313913/step Wall: 8006.4, 0.00313913/step, 2.14995 hours remaining, 235.773438 MB of memory in use. ENERGY: 2534400 3970.6749 20524.0087 14419.2933 238.5777 -203393.4533 2750.1650 0.0000 0.0000 52243.9888 -109246.7448 300.2469 -161490.7337 -108883.5575 299.5087 6.6166 32.2261 762820.2206 16.8085 16.9292 PRESSURE: 2534600 -136.546 -198.651 104.973 -198.651 -194.656 -68.0651 104.974 -68.0655 653.22 GPRESSURE: 2534600 -152.155 -195.763 129.824 -207.746 -95.2442 -54.473 -1.67628 -85.183 635.307 PRESSAVG: 2534600 51.5067 6.00724 0.45873 6.00727 -84.912 -6.94641 0.458776 -6.94646 -2.64096 GPRESSAVG: 2534600 50.4228 4.54724 0.413233 7.04884 -84.2716 -7.48633 -0.748131 -6.32691 -2.12209 TIMING: 2534600 CPU: 8007.03, 0.00314765/step Wall: 8007.03, 0.00314765/step, 2.15562 hours remaining, 235.773438 MB of memory in use. ENERGY: 2534600 3960.3435 20616.0882 14460.2655 259.8938 -203340.4887 2588.0675 0.0000 0.0000 52233.3617 -109222.4685 300.1858 -161455.8302 -108859.2668 299.6696 107.3392 129.3027 762616.5847 -12.0154 -11.9903 PRESSURE: 2534800 -497.182 -4.1002 -94.089 -4.10159 -377.792 7.93458 -94.0884 7.9339 -400.565 GPRESSURE: 2534800 -525.622 -65.9194 -99.7176 -38.3642 -260.874 -19.9978 -95.5315 -108.878 -410.999 PRESSAVG: 2534800 67.8006 -58.4252 44.0793 -58.4252 -4.39211 -1.10168 44.0793 -1.1017 2.48366 GPRESSAVG: 2534800 67.3276 -59.6069 43.9978 -59.9726 -3.2335 -0.525089 45.4082 -2.43879 1.79907 TIMING: 2534800 CPU: 8007.66, 0.00313559/step Wall: 8007.66, 0.00313559/step, 2.14718 hours remaining, 235.773438 MB of memory in use. ENERGY: 2534800 4056.6496 20614.0358 14478.5019 250.5926 -203186.0673 2388.5225 0.0000 0.0000 52175.0913 -109222.6736 299.8510 -161397.7649 -108870.3664 299.5569 -425.1795 -399.1650 762709.5024 21.9641 21.9644 PRESSURE: 2535000 -125.796 -20.0893 -111.28 -20.0883 -88.5112 187.931 -111.281 187.931 143.213 GPRESSURE: 2535000 -39.637 -10.6283 -86.4351 9.1573 -34.3209 277.565 12.8303 46.753 115.617 PRESSAVG: 2535000 -9.84267 -23.3003 -7.98837 -23.3002 -39.0465 -21.3992 -7.98838 -21.3992 -13.3624 GPRESSAVG: 2535000 -9.75832 -21.886 -7.68387 -20.6569 -38.7695 -20.6317 -6.50769 -22.6018 -13.6678 TIMING: 2535000 CPU: 8008.29, 0.00313965/step Wall: 8008.29, 0.00313965/step, 2.14979 hours remaining, 235.773438 MB of memory in use. ENERGY: 2535000 3951.1637 20443.6336 14521.6188 235.2404 -203020.2211 2668.1999 0.0000 0.0000 51976.3583 -109224.0064 298.7088 -161200.3647 -108857.2740 299.5519 -23.6979 13.8865 762798.6135 -20.7505 -20.7319 PRESSURE: 2535200 -242.138 -227.397 151.775 -227.397 44.1415 -9.92963 151.776 -9.92927 -100.781 GPRESSURE: 2535200 -81.303 -90.8964 157.742 -191.958 -5.32995 74.9563 207.089 -11.7103 -105.705 PRESSAVG: 2535200 56.0418 -12.6706 56.7359 -12.6706 -33.4678 37.7775 56.7358 37.7775 -9.81626 GPRESSAVG: 2535200 56.8916 -13.8504 57.0428 -13.0844 -34.6749 37.469 55.861 40.1719 -8.72021 TIMING: 2535200 CPU: 8008.92, 0.00314882/step Wall: 8008.92, 0.00314882/step, 2.15589 hours remaining, 235.773438 MB of memory in use. ENERGY: 2535200 4127.0979 20501.1086 14431.1218 249.6432 -203550.9368 2931.5235 0.0000 0.0000 51865.6750 -109444.7668 298.0727 -161310.4419 -109089.4975 299.2633 -99.5926 -64.1126 762083.3934 4.2526 4.4988 PRESSURE: 2535400 -150.484 -81.7887 -106.976 -81.7889 -220.691 -206.057 -106.976 -206.059 -178.609 GPRESSURE: 2535400 -120.812 -25.5042 -107.945 10.4718 -120.475 -231.422 -78.6856 -203.337 -235.721 PRESSAVG: 2535400 74.1179 -58.4687 -11.3668 -58.4687 -37.1176 16.9222 -11.3669 16.9223 27.0084 GPRESSAVG: 2535400 72.7114 -57.0998 -12.5589 -58.8062 -36.5481 17.2811 -9.43291 16.5487 27.8026 TIMING: 2535400 CPU: 8009.55, 0.00314362/step Wall: 8009.55, 0.00314362/step, 2.15216 hours remaining, 235.773438 MB of memory in use. ENERGY: 2535400 3954.2414 20414.7311 14415.5576 248.3965 -203196.5478 2538.1037 0.0000 0.0000 52099.5066 -109526.0110 299.4166 -161625.5175 -109155.0828 299.1865 -183.2613 -159.0026 762476.3730 21.3362 21.3220 PRESSURE: 2535600 155.197 57.0279 -120.748 57.0281 236.319 31.8348 -120.748 31.835 283.323 GPRESSURE: 2535600 298.933 70.8089 -60.4013 -0.626826 247.522 59.7668 -127.077 15.6265 207.942 PRESSAVG: 2535600 58.6943 -33.092 14.5378 -33.0921 -12.2897 -5.91619 14.5379 -5.91623 10.5139 GPRESSAVG: 2535600 59.2703 -33.7999 13.1349 -31.9968 -12.2015 -7.12942 10.626 -6.08676 9.60233 TIMING: 2535600 CPU: 8010.18, 0.00314212/step Wall: 8010.18, 0.00314212/step, 2.15096 hours remaining, 235.773438 MB of memory in use. ENERGY: 2535600 3866.4887 20428.6756 14450.5280 217.0875 -203124.1467 2635.0191 0.0000 0.0000 51876.7401 -109649.6076 298.1363 -161526.3477 -109286.2255 298.7330 224.9462 251.4658 762717.6443 18.9728 18.8904 PRESSURE: 2535800 218.171 -78.9692 -216.205 -78.969 256.557 -119.896 -216.205 -119.896 91.9674 GPRESSURE: 2535800 291.519 -83.1694 -220.505 -35.7693 294.568 -177.121 -222.872 -117.31 57.1483 PRESSAVG: 2535800 -14.3151 -51.3637 8.23515 -51.3636 -11.2049 -25.5488 8.2351 -25.5487 -5.06225 GPRESSAVG: 2535800 -13.8706 -51.496 8.08627 -51.0089 -12.2936 -25.2078 11.4211 -27.6246 -4.44259 TIMING: 2535800 CPU: 8010.8, 0.00314201/step Wall: 8010.8, 0.00314201/step, 2.15071 hours remaining, 235.773438 MB of memory in use. ENERGY: 2535800 3973.8516 20456.8601 14437.9231 248.7283 -203719.7688 2896.6406 0.0000 0.0000 52294.1196 -109411.6454 300.5350 -161705.7649 -109047.4380 298.7753 188.8983 214.4116 760764.5507 -10.1941 -10.2022 PRESSURE: 2536000 -82.4979 -181.493 -47.0617 -181.494 5.27963 -151.269 -47.0621 -151.27 -8.05612 GPRESSURE: 2536000 -57.9324 -85.3523 -111.919 -197.562 17.157 -147.576 18.4067 -126.212 35.4359 PRESSAVG: 2536000 79.7799 -49.8262 -31.8499 -49.8261 -71.8299 -19.8395 -31.8499 -19.8395 -15.0606 GPRESSAVG: 2536000 79.6438 -48.9424 -30.8781 -51.7589 -71.5561 -18.9778 -33.0287 -18.7468 -15.3076 TIMING: 2536000 CPU: 8011.44, 0.00315429/step Wall: 8011.44, 0.00315429/step, 2.15893 hours remaining, 235.773438 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: 2536000 4055.0900 20655.4784 14401.3532 237.6093 -203347.7702 2489.0534 0.0000 0.0000 52060.5443 -109448.6416 299.1927 -161509.1859 -109094.7968 299.0932 -28.4248 -1.7798 762959.6495 -2.3702 -2.4066 PRESSURE: 2536200 -541.562 99.6702 0.760478 99.6706 -216.973 -49.9984 0.759611 -49.9982 -397.302 GPRESSURE: 2536200 -464.152 186.42 -10.6809 42.1053 -148.481 -76.87 12.4584 -81.5438 -429.625 PRESSAVG: 2536200 100.088 -17.975 -41.0517 -17.975 -60.866 -3.90587 -41.0517 -3.90587 -19.1312 GPRESSAVG: 2536200 98.6106 -19.2966 -42.9861 -17.111 -60.0726 -4.11143 -39.7519 -4.00492 -18.5533 TIMING: 2536200 CPU: 8012.07, 0.0031621/step Wall: 8012.07, 0.0031621/step, 2.16411 hours remaining, 235.773438 MB of memory in use. ENERGY: 2536200 3958.1305 20535.3301 14345.6238 269.7866 -203249.1672 2753.7731 0.0000 0.0000 51814.2314 -109572.2917 297.7771 -161386.5231 -109214.1033 299.3411 -385.2791 -347.4195 764120.8121 6.6970 6.6616 LDB: ============= START OF LOAD BALANCING ============== 8024.6 LDB: ============== END OF LOAD BALANCING =============== 8024.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8024.6 LDB: ============= START OF LOAD BALANCING ============== 8024.92 LDB: Largest compute 7078 load 0.031681 is 16.2% of average load 0.195545 LDB: Average compute 0.004390 is 2.2% of average load 0.195545 LDB: TIME 8024.92 LOAD: AVG 0.195545 MAX 0.217404 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.531 MB LDB: TIME 8024.92 LOAD: AVG 0.195545 MAX 0.217404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.738 MB LDB: TIME 8024.92 LOAD: AVG 0.195545 MAX 0.217404 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.738 MB LDB: ============== END OF LOAD BALANCING =============== 8024.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8024.93 PRESSURE: 2536400 344.882 101.011 91.2652 101.011 -136.32 -17.4735 91.2652 -17.4734 170.393 GPRESSURE: 2536400 263.58 40.3439 63.6971 119.028 -69.5321 -67.2208 -8.35519 16.6267 275.863 PRESSAVG: 2536400 0.506669 -32.0436 -33.6536 -32.0435 3.32922 -32.0235 -33.6536 -32.0235 10.079 GPRESSAVG: 2536400 1.67262 -28.6007 -31.3929 -31.7713 2.51937 -32.785 -35.7341 -32.6715 9.58981 TIMING: 2536400 CPU: 8012.71, 0.00323436/step Wall: 8012.71, 0.00323436/step, 2.21338 hours remaining, 236.535156 MB of memory in use. ENERGY: 2536400 3991.4053 20365.6836 14382.3316 236.1696 -203404.1465 2732.8993 0.0000 0.0000 51995.7699 -109699.8873 298.8204 -161695.6572 -109343.2425 298.9177 126.3183 156.6369 762523.3633 4.6383 4.5939 PRESSURE: 2536600 -319.866 187.124 147.41 187.124 -102.018 170.049 147.409 170.049 -31.1229 GPRESSURE: 2536600 -216.153 86.917 184.032 75.4119 -91.3615 155.982 135.754 166.204 -60.9049 PRESSAVG: 2536600 15.7837 -21.2209 -24.8903 -21.221 -83.4669 25.4638 -24.8903 25.4637 -10.4293 GPRESSAVG: 2536600 16.0576 -24.1017 -24.701 -21.619 -83.6486 25.6616 -24.1681 26.2941 -10.5558 TIMING: 2536600 CPU: 8013.34, 0.00313689/step Wall: 8013.34, 0.00313689/step, 2.14651 hours remaining, 236.535156 MB of memory in use. ENERGY: 2536600 3957.5087 20320.8049 14411.9881 249.3536 -203002.2377 2523.8976 0.0000 0.0000 51896.7202 -109641.9647 298.2512 -161538.6849 -109276.8190 298.3470 -151.0025 -122.8064 766007.3160 -26.0375 -26.0490 PRESSURE: 2536800 -7.82797 -278.66 -137.51 -278.661 57.9421 33.4089 -137.509 33.4089 -289.304 GPRESSURE: 2536800 -54.9338 -255.432 -124.908 -271.976 66.9031 164.776 -112.477 -37.5524 -180.211 PRESSAVG: 2536800 71.115 -43.4207 14.2807 -43.4207 -23.7113 20.6108 14.2806 20.6108 30.2667 GPRESSAVG: 2536800 68.8764 -40.63 14.5435 -43.597 -22.806 20.9243 14.6238 21.3068 31.4826 TIMING: 2536800 CPU: 8013.98, 0.00317017/step Wall: 8013.98, 0.00317017/step, 2.1691 hours remaining, 236.605469 MB of memory in use. ENERGY: 2536800 4004.4788 20606.7587 14454.2732 255.1717 -203307.8202 2685.0672 0.0000 0.0000 51663.3137 -109638.7569 296.9098 -161302.0706 -109289.3634 298.8990 -79.7299 -56.0807 764250.5458 25.8901 25.8510 PRESSURE: 2537000 123.115 103.292 196.49 103.292 377.137 266.589 196.49 266.59 -0.919478 GPRESSURE: 2537000 183.527 76.4972 140.852 181.246 416.132 258.305 202.266 222.511 -17.6912 PRESSAVG: 2537000 -7.01837 -31.6737 -11.985 -31.6736 -32.5491 59.767 -11.9851 59.767 -21.3518 GPRESSAVG: 2537000 -4.20414 -34.2204 -12.5446 -30.6382 -32.7841 60.6563 -10.3025 59.8379 -23.8596 TIMING: 2537000 CPU: 8014.61, 0.00316952/step Wall: 8014.61, 0.00316952/step, 2.16848 hours remaining, 236.605469 MB of memory in use. ENERGY: 2537000 4021.0901 20502.0208 14426.7164 244.8302 -203282.6045 2859.8564 0.0000 0.0000 51913.3889 -109314.7018 298.3470 -161228.0907 -108955.1334 298.5199 166.4440 193.9892 763289.6457 -20.3064 -20.2826 PRESSURE: 2537200 118.845 98.2822 -70.8978 98.2821 144.225 212.538 -70.8968 212.539 420.191 GPRESSURE: 2537200 136.353 -40.1672 -62.9285 82.0776 259.162 232.661 -100.07 196.742 376.343 PRESSAVG: 2537200 -23.6541 4.49064 -43.4151 4.49067 35.9226 49.8755 -43.415 49.8755 -17.5259 GPRESSAVG: 2537200 -25.6552 4.66748 -43.3913 6.35718 36.2164 49.529 -45.7523 50.2164 -16.4433 TIMING: 2537200 CPU: 8015.24, 0.00314598/step Wall: 8015.24, 0.00314598/step, 2.1522 hours remaining, 236.808594 MB of memory in use. ENERGY: 2537200 3923.7221 20434.8773 14418.1601 246.5456 -203196.5738 2696.3042 0.0000 0.0000 52051.6795 -109425.2849 299.1417 -161476.9644 -109061.8670 299.0712 227.7534 257.2858 763490.1379 -1.7525 -1.9607 PRESSURE: 2537400 234.784 24.4595 -11.4044 24.4603 61.077 -85.563 -11.4042 -85.5628 295.6 GPRESSURE: 2537400 229.428 -9.6168 -21.912 -61.3957 140.165 -77.1322 -34.5654 -37.1108 293.106 PRESSAVG: 2537400 53.3287 -15.7028 16.1238 -15.7028 -65.8651 44.4451 16.1237 44.445 -4.7594 GPRESSAVG: 2537400 51.5311 -16.7763 17.7866 -16.0069 -65.6616 42.3451 15.7707 44.1842 -4.14531 TIMING: 2537400 CPU: 8015.88, 0.00318049/step Wall: 8015.88, 0.00318049/step, 2.17563 hours remaining, 236.808594 MB of memory in use. ENERGY: 2537400 3894.6808 20463.0870 14420.9529 238.9429 -203713.5498 2784.2602 0.0000 0.0000 52353.8417 -109557.7843 300.8782 -161911.6260 -109186.5249 299.1972 197.1537 220.8996 761429.7926 -5.7653 -6.0919 PRESSURE: 2537600 -372.409 -43.6521 -42.2094 -43.6514 23.7145 -81.221 -42.2087 -81.2205 169.787 GPRESSURE: 2537600 -249.049 -13.2485 -38.6219 -84.3446 33.3782 -73.8519 -57.1587 -50.3022 120.33 PRESSAVG: 2537600 34.8785 0.31523 55.6967 0.315231 -36.5219 0.474709 55.6967 0.474766 0.150789 GPRESSAVG: 2537600 36.4108 1.49417 56.1746 0.124564 -36.9139 1.75215 54.5751 0.299408 -0.983908 TIMING: 2537600 CPU: 8016.51, 0.00317539/step Wall: 8016.51, 0.00317539/step, 2.17197 hours remaining, 236.808594 MB of memory in use. ENERGY: 2537600 3939.2743 20514.6652 14558.1328 237.4268 -203207.2484 2509.9016 0.0000 0.0000 51981.9879 -109465.8598 298.7412 -161447.8477 -109096.2565 299.0635 -59.6358 -31.7804 761500.2181 -0.4975 -0.4957 PRESSURE: 2537800 -97.0975 101.773 -6.20419 101.772 -486.539 219.418 -6.20489 219.418 108.238 GPRESSURE: 2537800 -96.0095 103.048 42.6321 164.403 -439.419 182.291 -115.367 199.309 124.358 PRESSAVG: 2537800 54.0479 25.5697 31.107 25.5698 0.554933 3.4516 31.107 3.45153 -11.1221 GPRESSAVG: 2537800 53.357 23.4154 30.3811 25.4878 0.54759 5.60438 32.8347 1.52241 -10.1234 TIMING: 2537800 CPU: 8017.14, 0.00316686/step Wall: 8017.14, 0.00316686/step, 2.16595 hours remaining, 236.808594 MB of memory in use. ENERGY: 2537800 3984.6365 20583.0240 14499.8069 238.7127 -202967.5063 2318.0334 0.0000 0.0000 51931.2022 -109412.0905 298.4493 -161343.2927 -109048.4276 299.6228 -158.4660 -137.0235 762799.2834 14.4936 14.5937 PRESSURE: 2538000 -48.1572 -76.8823 -137.937 -76.8816 -87.5938 -44.9193 -137.938 -44.9188 -316.205 GPRESSURE: 2538000 14.2873 -86.4784 -145.511 -9.09616 -84.1477 -137.91 -72.4555 -34.3856 -293.77 PRESSAVG: 2538000 -0.150699 18.3577 39.5635 18.3578 -6.67804 76.8463 39.5635 76.8462 6.24292 GPRESSAVG: 2538000 0.242778 21.5212 38.533 17.5333 -6.9027 75.679 40.8247 78.5555 6.42897 TIMING: 2538000 CPU: 8017.78, 0.00318934/step Wall: 8017.78, 0.00318934/step, 2.18116 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: 2538000 3974.3332 20294.2395 14474.9487 260.5878 -203408.7648 2702.1723 0.0000 0.0000 52346.2872 -109356.1962 300.8348 -161702.4834 -108986.2690 298.8725 -150.6521 -121.2103 761807.5536 -0.1953 -0.0770 PRESSURE: 2538200 -39.7308 -120.803 372.553 -120.803 210.951 127.795 372.553 127.796 132.369 GPRESSURE: 2538200 25.839 -116.45 285.482 -40.499 205.027 179.453 221.829 -13.6259 154.454 PRESSAVG: 2538200 30.305 -21.4363 18.0285 -21.4363 -5.3122 20.1742 18.0286 20.1741 10.2213 GPRESSAVG: 2538200 28.8571 -22.5829 16.8731 -21.9624 -5.05628 19.1774 17.8155 20.602 11.1884 TIMING: 2538200 CPU: 8018.42, 0.00317381/step Wall: 8018.42, 0.00317381/step, 2.17036 hours remaining, 236.808594 MB of memory in use. ENERGY: 2538200 4081.8912 20372.3547 14459.4827 243.7162 -203287.4764 2652.7352 0.0000 0.0000 51962.7768 -109514.5196 298.6308 -161477.2964 -109153.3469 298.6183 101.1963 128.4400 761909.6960 11.7380 11.6631 PRESSURE: 2538400 -108.672 58.0359 12.0793 58.0364 -91.061 204.292 12.0789 204.293 98.4175 GPRESSURE: 2538400 -52.83 20.584 68.7359 71.0229 4.05473 270.319 -76.9352 197.762 16.1061 PRESSAVG: 2538400 15.6631 -76.4773 58.6147 -76.4773 27.6946 -17.4542 58.6147 -17.4542 -2.57137 GPRESSAVG: 2538400 15.7597 -77.3626 60.8754 -76.206 29.2682 -17.2608 55.9615 -18.361 -3.98648 TIMING: 2538400 CPU: 8019.05, 0.00315519/step Wall: 8019.05, 0.00315519/step, 2.15745 hours remaining, 236.808594 MB of memory in use. ENERGY: 2538400 3969.2628 20540.3675 14420.1372 233.2136 -203533.5119 2663.7182 0.0000 0.0000 52113.7261 -109593.0865 299.4983 -161706.8125 -109233.0114 298.6331 -33.7719 -10.8897 761641.3857 13.5954 13.6805 PRESSURE: 2538600 -284.16 7.69968 54.2979 7.69876 -459.881 9.91107 54.2976 9.91074 -66.9573 GPRESSURE: 2538600 -350.301 -23.3864 47.5668 36.0765 -289.97 -29.114 26.3556 24.993 -88.4772 PRESSAVG: 2538600 49.8479 4.94123 39.1182 4.94123 -28.123 -8.11448 39.1182 -8.11444 1.70514 GPRESSAVG: 2538600 51.5082 4.22461 37.8065 6.09697 -29.4864 -8.02128 39.0974 -7.52994 1.94988 TIMING: 2538600 CPU: 8019.69, 0.00319961/step Wall: 8019.69, 0.00319961/step, 2.18764 hours remaining, 236.808594 MB of memory in use. ENERGY: 2538600 3980.4645 20496.4204 14433.6558 234.7947 -203284.8038 2361.3591 0.0000 0.0000 52105.9625 -109672.1467 299.4537 -161778.1092 -109306.6176 298.4268 -270.3329 -242.9163 762370.5827 7.8100 7.9906 PRESSURE: 2538800 -151.071 31.4502 -259.624 31.4502 -6.43254 -53.1975 -259.624 -53.1979 48.4317 GPRESSURE: 2538800 -121.847 -76.9591 -257.002 91.2401 21.8041 -83.5627 -221.948 -2.03152 85.3809 PRESSAVG: 2538800 46.5861 20.1521 -12.9624 20.1521 0.397661 -48.5743 -12.9624 -48.5742 -22.1531 GPRESSAVG: 2538800 45.9417 21.9582 -14.5224 20.2535 -0.507857 -48.0441 -12.4249 -49.5127 -20.712 TIMING: 2538800 CPU: 8020.32, 0.00318521/step Wall: 8020.32, 0.00318521/step, 2.17762 hours remaining, 236.808594 MB of memory in use. ENERGY: 2538800 4025.7260 20444.9640 14423.2169 244.9740 -204103.6891 3063.4063 0.0000 0.0000 52207.3737 -109694.0282 300.0365 -161901.4018 -109330.3468 298.0889 -36.3573 -4.8874 763038.7699 8.2769 8.2406 PRESSURE: 2539000 -50.7269 -10.0354 -29.3179 -10.0357 -241.862 -93.1916 -29.3183 -93.1923 -396.213 GPRESSURE: 2539000 33.9061 28.7742 -62.1481 -63.0992 -264.947 31.3406 16.7653 -25.4686 -378.182 PRESSAVG: 2539000 3.17745 -10.5157 17.3196 -10.5157 -13.1494 -55.346 17.3195 -55.346 6.57016 GPRESSAVG: 2539000 4.29683 -7.91712 19.2319 -10.7625 -12.4518 -55.3318 16.3338 -54.0081 4.96025 TIMING: 2539000 CPU: 8020.96, 0.00317896/step Wall: 8020.96, 0.00317896/step, 2.17317 hours remaining, 236.808594 MB of memory in use. ENERGY: 2539000 4027.2426 20460.6007 14386.6953 247.9574 -203461.2618 2721.8724 0.0000 0.0000 51695.5623 -109921.3312 297.0951 -161616.8935 -109555.4822 297.9973 -229.6006 -203.0743 762544.0218 -1.1339 -1.0649 PRESSURE: 2539200 52.4743 -20.0508 104.275 -20.0515 94.0436 41.9878 104.275 41.9871 -324.961 GPRESSURE: 2539200 52.559 -49.363 80.9348 112.505 135.522 61.3636 -76.117 -2.67507 -310.681 PRESSAVG: 2539200 8.69119 -47.8462 38.3416 -47.8462 -26.697 -3.46104 38.3416 -3.46103 -31.3531 GPRESSAVG: 2539200 7.26235 -49.9414 37.8507 -49.4901 -25.5042 -4.3208 39.4881 -3.12645 -31.4415 TIMING: 2539200 CPU: 8021.59, 0.00316743/step Wall: 8021.59, 0.00316743/step, 2.16512 hours remaining, 236.808594 MB of memory in use. ENERGY: 2539200 4039.3093 20440.3715 14411.2723 229.5822 -203339.4654 2579.6267 0.0000 0.0000 51771.5347 -109867.7687 297.5317 -161639.3033 -109504.2666 297.7748 -59.4811 -40.8666 762647.7200 -16.4529 -16.5611 PRESSURE: 2539400 -273.443 -127.951 -183.669 -127.952 -91.7446 129.508 -183.669 129.507 214.151 GPRESSURE: 2539400 -233.194 -36.4035 -182.329 -190.268 -123.939 91.7615 -135.216 131.689 297.279 PRESSAVG: 2539400 -19.3933 -10.757 -29.315 -10.757 28.4256 -29.3482 -29.315 -29.3483 5.21792 GPRESSAVG: 2539400 -18.902 -10.4462 -30.1314 -10.1108 27.2968 -29.6682 -28.5216 -28.9894 5.9462 TIMING: 2539400 CPU: 8022.23, 0.0031711/step Wall: 8022.23, 0.0031711/step, 2.16745 hours remaining, 236.808594 MB of memory in use. ENERGY: 2539400 4015.2765 20454.3547 14432.5830 242.8612 -203503.8036 2777.7427 0.0000 0.0000 51713.3289 -109867.6567 297.1972 -161580.9856 -109510.2248 298.2520 -50.3455 -19.9513 761951.6963 4.7501 4.7803 PRESSURE: 2539600 -127.536 15.9616 -61.857 15.962 -188.517 51.9857 -61.8576 51.9856 -313.095 GPRESSURE: 2539600 -87.4128 -20.1858 -71.0753 -70.3937 -163.32 -34.0143 -62.6751 62.09 -318.824 PRESSAVG: 2539600 -34.4 12.5629 36.2837 12.5629 -7.11438 28.0249 36.2836 28.0249 13.8835 GPRESSAVG: 2539600 -34.4487 12.6382 36.5673 11.9869 -6.28696 29.4027 35.4651 27.1049 13.2208 TIMING: 2539600 CPU: 8022.86, 0.00315922/step Wall: 8022.86, 0.00315922/step, 2.15915 hours remaining, 236.808594 MB of memory in use. ENERGY: 2539600 3940.6580 20500.7024 14429.2441 262.2353 -203630.1967 2671.4668 0.0000 0.0000 51917.0474 -109908.8427 298.3680 -161825.8901 -109538.7240 298.5396 -209.7158 -189.8525 761674.4632 -9.2103 -9.1716 PRESSURE: 2539800 12.9508 -52.2767 152.355 -52.2767 -11.0125 -158.761 152.356 -158.76 71.4351 GPRESSURE: 2539800 62.3032 3.16914 56.7206 -82.8115 70.8752 -78.5905 248.229 -55.8662 38.5032 PRESSAVG: 2539800 19.8263 10.2041 47.8299 10.2041 -9.5864 -18.1943 47.8299 -18.1944 -17.1141 GPRESSAVG: 2539800 20.9932 9.67824 48.5316 10.9111 -10.8947 -18.1467 46.281 -18.6965 -16.9887 TIMING: 2539800 CPU: 8023.49, 0.00317496/step Wall: 8023.49, 0.00317496/step, 2.16973 hours remaining, 236.808594 MB of memory in use. ENERGY: 2539800 3935.3586 20359.8847 14470.8961 248.0059 -203687.9277 2914.5605 0.0000 0.0000 51621.8622 -110137.3598 296.6716 -161759.2220 -109773.9604 298.0912 24.4578 57.2272 761359.1078 -2.2914 -2.2968 PRESSURE: 2540000 -40.8134 -77.4512 89.8304 -77.4514 262.819 23.7653 89.8306 23.7658 640.411 GPRESSURE: 2540000 -36.6698 83.4105 3.06136 -143.651 317.522 65.2137 90.714 -62.5817 657.102 PRESSAVG: 2540000 13.4699 -22.5864 52.0054 -22.5864 -2.0163 -10.5519 52.0053 -10.552 8.68321 GPRESSAVG: 2540000 12.0646 -19.9496 50.7566 -24.4598 -1.26946 -9.73034 51.6413 -12.3331 9.04409 TIMING: 2540000 CPU: 8024.13, 0.00315726/step Wall: 8024.13, 0.00315726/step, 2.15746 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: 2540000 3933.0086 20522.8728 14494.6408 245.9480 -203821.9133 2769.6927 0.0000 0.0000 51775.7981 -110079.9524 297.5562 -161855.7505 -109712.5243 297.5508 287.4721 312.6515 759627.3436 6.7123 6.6131 PRESSURE: 2540200 137.948 56.6993 137.741 56.6994 45.1905 -119.772 137.741 -119.771 65.8538 GPRESSURE: 2540200 232.138 20.2887 137.459 40.7596 116.691 -154.144 51.9615 -23.788 -5.97228 PRESSAVG: 2540200 27.1714 -51.3525 74.6799 -51.3525 1.44942 -7.58899 74.6798 -7.589 15.8155 GPRESSAVG: 2540200 26.0252 -51.0733 74.272 -51.3663 2.50663 -9.26412 75.5485 -7.5917 15.896 TIMING: 2540200 CPU: 8024.76, 0.00316278/step Wall: 8024.76, 0.00316278/step, 2.16106 hours remaining, 236.808594 MB of memory in use. ENERGY: 2540200 3944.8825 20547.5997 14445.2965 249.5773 -203659.5439 2745.4773 0.0000 0.0000 51787.9519 -109938.7586 297.6261 -161726.7105 -109585.8980 298.0644 82.9974 114.2856 759175.1054 14.8121 14.8093 LDB: ============= START OF LOAD BALANCING ============== 8037.29 LDB: ============== END OF LOAD BALANCING =============== 8037.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8037.29 LDB: ============= START OF LOAD BALANCING ============== 8037.61 LDB: Largest compute 7031 load 0.029393 is 15.0% of average load 0.195608 LDB: Average compute 0.004401 is 2.2% of average load 0.195608 LDB: TIME 8037.61 LOAD: AVG 0.195608 MAX 0.211895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.875 MB LDB: TIME 8037.61 LOAD: AVG 0.195608 MAX 0.211895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: TIME 8037.61 LOAD: AVG 0.195608 MAX 0.211895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.078 MB LDB: ============== END OF LOAD BALANCING =============== 8037.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8037.62 PRESSURE: 2540400 148.233 -202.128 -44.9519 -202.128 -40.6606 -46.3316 -44.952 -46.3322 441.487 GPRESSURE: 2540400 136.294 -183.554 5.12509 -212.381 26.7035 -80.9476 10.1829 87.8635 482.398 PRESSAVG: 2540400 14.9633 -34.1199 28.2449 -34.12 -18.0814 -47.213 28.2449 -47.2129 -3.73487 GPRESSAVG: 2540400 16.0294 -35.9282 29.6328 -31.4955 -18.834 -47.8039 29.4175 -43.67 -3.60956 TIMING: 2540400 CPU: 8025.4, 0.00321725/step Wall: 8025.4, 0.00321725/step, 2.1981 hours remaining, 235.386719 MB of memory in use. ENERGY: 2540400 3950.5725 20622.8432 14426.6591 234.7246 -203776.4675 2912.5627 0.0000 0.0000 51760.0592 -109869.0461 297.4658 -161629.1053 -109521.1057 298.0370 183.0199 215.1319 760956.6079 -2.2843 -2.1381 PRESSURE: 2540600 10.0405 -14.2778 82.1188 -14.2771 -51.0283 -32.6005 82.1193 -32.5999 -48.8848 GPRESSURE: 2540600 50.0528 -79.7638 46.315 -91.5692 -45.2477 -174.69 60.8891 84.8498 -8.3389 PRESSAVG: 2540600 38.7302 -62.5068 -1.28993 -62.5068 -25.5 -14.4485 -1.28999 -14.4484 1.85946 GPRESSAVG: 2540600 38.7748 -62.806 -0.521736 -64.4195 -25.4076 -13.1132 -3.98711 -14.8306 2.03769 TIMING: 2540600 CPU: 8026.03, 0.00312661/step Wall: 8026.03, 0.00312661/step, 2.13599 hours remaining, 235.386719 MB of memory in use. ENERGY: 2540600 3977.9689 20488.1840 14398.4266 241.9355 -203300.3573 2563.9433 0.0000 0.0000 51999.8377 -109630.0614 298.8438 -161629.8990 -109265.8892 298.6785 -29.9575 -1.1779 762415.0834 5.0299 5.1350 PRESSURE: 2540800 64.6466 -84.0871 -146.688 -84.0875 164.613 -36.5191 -146.688 -36.5197 -13.406 GPRESSURE: 2540800 128.061 8.43647 -246.712 23.9331 187.905 -82.2952 -105.606 29.9827 -3.46181 PRESSAVG: 2540800 23.6466 -21.5975 35.8523 -21.5976 -56.7745 4.32884 35.8524 4.32882 -2.93927 GPRESSAVG: 2540800 23.8208 -23.1596 33.7348 -19.091 -55.8456 2.67707 37.3989 3.94308 -4.15324 TIMING: 2540800 CPU: 8026.65, 0.00313657/step Wall: 8026.65, 0.00313657/step, 2.14262 hours remaining, 235.386719 MB of memory in use. ENERGY: 2540800 3968.7842 20481.2526 14412.2490 244.2522 -203886.2280 2925.9905 0.0000 0.0000 52240.3355 -109613.3640 300.2259 -161853.6996 -109249.5283 298.7568 71.9512 104.1680 762737.4083 -12.0224 -12.0594 PRESSURE: 2541000 128.621 -40.7838 -26.4731 -40.7836 24.3324 35.3917 -26.4738 35.3917 47.2264 GPRESSURE: 2541000 125.879 24.1033 -24.1206 -106.129 95.3509 -9.03987 -30.3782 167.324 70.1286 PRESSAVG: 2541000 61.0654 -1.13185 40.2687 -1.13189 -48.3735 -67.0399 40.2687 -67.0399 14.94 GPRESSAVG: 2541000 60.9508 1.44828 40.5998 -2.52918 -48.3135 -67.726 42.3372 -67.6387 14.8444 TIMING: 2541000 CPU: 8027.28, 0.0031508/step Wall: 8027.28, 0.0031508/step, 2.15217 hours remaining, 235.511719 MB of memory in use. ENERGY: 2541000 4011.1728 20342.0232 14475.8134 254.5022 -203843.6541 2882.1402 0.0000 0.0000 52082.1806 -109795.8217 299.3170 -161878.0023 -109440.0165 298.5273 66.7266 97.1197 762617.1895 9.2107 9.1605 PRESSURE: 2541200 233.644 -143.875 -43.6358 -143.874 -66.2553 87.5203 -43.6361 87.519 -221.06 GPRESSURE: 2541200 261.629 -119.468 53.2211 -180.091 -74.5192 -16.8276 -40.2841 0.998749 -152.088 PRESSAVG: 2541200 42.4264 -12.4757 63.666 -12.4757 -5.46169 -57.0765 63.6661 -57.0766 4.54492 GPRESSAVG: 2541200 43.1669 -13.0075 64.0875 -11.9958 -6.66303 -55.5302 61.9528 -55.8823 4.60673 TIMING: 2541200 CPU: 8027.91, 0.00314333/step Wall: 8027.91, 0.00314333/step, 2.1469 hours remaining, 235.714844 MB of memory in use. ENERGY: 2541200 4018.6293 20414.8922 14371.7006 253.1437 -203444.1470 2892.8965 0.0000 0.0000 51952.7938 -109540.0909 298.5734 -161492.8847 -109181.8624 298.5604 -17.8903 11.6739 761450.7383 13.8365 13.7035 PRESSURE: 2541400 37.9619 -220.912 -244.812 -220.912 -139.257 -178.991 -244.813 -178.99 -294.651 GPRESSURE: 2541400 112.01 -181.211 -335.655 -92.7873 -114.213 -207.011 -156.27 -40.756 -317.53 PRESSAVG: 2541400 20.8944 -60.1495 -23.2368 -60.1495 -14.1894 -1.98345 -23.2368 -1.98333 3.36036 GPRESSAVG: 2541400 21.0744 -60.5176 -24.7001 -61.6538 -14.3769 -1.42818 -23.1285 -4.25944 3.52823 TIMING: 2541400 CPU: 8028.54, 0.00314207/step Wall: 8028.54, 0.00314207/step, 2.14586 hours remaining, 235.714844 MB of memory in use. ENERGY: 2541400 4032.3202 20574.2238 14483.7973 255.0691 -203160.7752 2535.4505 0.0000 0.0000 51589.4743 -109690.4400 296.4854 -161279.9143 -109338.9520 298.6740 -131.9822 -106.5776 761519.0338 3.3551 3.4086 PRESSURE: 2541600 346.184 -18.8904 -36.826 -18.8901 -352.689 84.3818 -36.827 84.3817 28.4829 GPRESSURE: 2541600 350.828 -18.2392 -53.9973 0.230644 -235.999 158.007 -9.89378 -16.8591 -14.9722 PRESSAVG: 2541600 7.42843 -78.2687 37.4443 -78.2687 2.56317 42.5061 37.4443 42.5062 3.45911 GPRESSAVG: 2541600 7.2454 -78.0115 38.4526 -78.1509 3.06647 42.6178 35.9558 44.4223 3.10003 TIMING: 2541600 CPU: 8029.17, 0.00314589/step Wall: 8029.17, 0.00314589/step, 2.14829 hours remaining, 235.714844 MB of memory in use. ENERGY: 2541600 3899.2559 20608.5142 14413.5438 253.4519 -203347.2986 2742.3364 0.0000 0.0000 51956.1226 -109474.0737 298.5926 -161430.1964 -109115.7164 298.3901 7.3258 33.2856 759152.3446 4.4836 4.4706 PRESSURE: 2541800 -201.052 -75.1499 -152.629 -75.1503 -84.7765 -94.2342 -152.628 -94.2332 -301.795 GPRESSURE: 2541800 -193.544 -147.409 -137.822 2.31992 47.8452 -79.5292 -130.857 -121.588 -337.646 PRESSAVG: 2541800 -24.6908 -36.326 -13.8434 -36.326 -9.33613 -49.0823 -13.8434 -49.0824 -17.555 GPRESSAVG: 2541800 -25.2595 -37.5461 -14.0468 -34.6854 -8.95097 -48.6224 -14.1142 -50.7668 -17.6456 TIMING: 2541800 CPU: 8029.8, 0.00313734/step Wall: 8029.8, 0.00313734/step, 2.14228 hours remaining, 235.714844 MB of memory in use. ENERGY: 2541800 3888.6801 20429.3739 14475.3755 253.8446 -202963.8638 2343.9301 0.0000 0.0000 51833.5662 -109739.0933 297.8882 -161572.6595 -109368.9779 299.1040 -195.8744 -161.1148 761865.3600 -17.1940 -17.2853 PRESSURE: 2542000 118.765 -303.99 39.4632 -303.99 167.234 -61.0903 39.4633 -61.0913 2.61422 GPRESSURE: 2542000 165.38 -264.573 -32.2665 -313.902 178.557 -18.4159 46.6508 -126.98 26.7811 PRESSAVG: 2542000 9.89612 -8.37968 -17.134 -8.37968 18.2825 -24.4301 -17.134 -24.43 -27.2996 GPRESSAVG: 2542000 9.25419 -7.74497 -18.309 -9.13727 18.0802 -25.8212 -13.4598 -23.1511 -27.2228 TIMING: 2542000 CPU: 8030.42, 0.00312832/step Wall: 8030.42, 0.00312832/step, 2.13595 hours remaining, 235.714844 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: 2542000 3996.4196 20545.8997 14467.1447 228.1630 -203462.0177 2798.5852 0.0000 0.0000 51819.6202 -109606.1853 297.8081 -161425.8055 -109259.9337 298.7257 96.2045 123.5729 760865.5042 0.2930 0.0372 PRESSURE: 2542200 67.4943 241.653 -24.02 241.654 -92.5991 -72.3117 -24.0194 -72.3128 63.3384 GPRESSURE: 2542200 167.952 267.126 9.09717 176.777 -115.353 -106.967 26.7114 -10.9697 75.0543 PRESSAVG: 2542200 -3.91942 -24.7989 -21.946 -24.7988 27.0615 54.5643 -21.946 54.5643 0.406453 GPRESSAVG: 2542200 -2.58593 -26.5389 -20.8176 -23.1354 25.7541 55.4768 -24.405 53.6654 0.27135 TIMING: 2542200 CPU: 8031.05, 0.00312746/step Wall: 8031.05, 0.00312746/step, 2.13519 hours remaining, 235.714844 MB of memory in use. ENERGY: 2542200 3937.4717 20466.0352 14364.0028 235.2496 -203534.1701 2749.4529 0.0000 0.0000 52053.0979 -109728.8601 299.1499 -161781.9580 -109362.4718 298.8242 12.7445 42.5510 761765.5555 7.8495 7.8132 PRESSURE: 2542400 3.04768 -105.876 -83.1226 -105.876 -238.232 113.319 -83.123 113.319 522.407 GPRESSURE: 2542400 37.6655 27.6314 -65.781 -188.557 -172.625 93.9377 -97.2162 227.189 490.783 PRESSAVG: 2542400 0.797752 -1.23149 20.2619 -1.23145 -7.19526 16.3533 20.2619 16.3534 20.2797 GPRESSAVG: 2542400 -0.747802 0.392416 21.0491 -3.61687 -6.15356 16.4016 19.4715 20.0703 20.4004 TIMING: 2542400 CPU: 8031.68, 0.00312998/step Wall: 8031.68, 0.00312998/step, 2.13673 hours remaining, 235.714844 MB of memory in use. ENERGY: 2542400 3983.6864 20614.0070 14423.5809 247.2504 -203366.8474 2706.1186 0.0000 0.0000 51735.0654 -109657.1386 297.3221 -161392.2040 -109305.5263 298.2798 95.7407 118.6078 760073.9739 4.6274 4.4997 PRESSURE: 2542600 -127.778 -221.608 -125.112 -221.608 -31.9966 -74.606 -125.112 -74.6057 -83.2925 GPRESSURE: 2542600 -110.654 -222.017 -51.5591 -155.584 -0.529595 -40.0946 42.8696 9.3681 -54.1761 PRESSAVG: 2542600 -17.3239 -24.9224 -40.3119 -24.9224 -9.44694 32.4999 -40.3119 32.4999 -2.11487 GPRESSAVG: 2542600 -16.5861 -25.7755 -41.4489 -24.5909 -9.68684 32.7595 -36.4967 28.6663 -2.45135 TIMING: 2542600 CPU: 8032.3, 0.00312875/step Wall: 8032.3, 0.00312875/step, 2.13572 hours remaining, 235.714844 MB of memory in use. ENERGY: 2542600 4011.4216 20481.2942 14348.8273 232.1317 -202997.7360 2705.6880 0.0000 0.0000 51529.2321 -109689.1412 296.1392 -161218.3732 -109323.4077 298.1787 -81.0223 -55.1199 762438.9875 -9.6286 -9.5748 PRESSURE: 2542800 -114.837 -13.4183 -89.8632 -13.4191 -225.342 146.323 -89.8634 146.323 -260.765 GPRESSURE: 2542800 -104.495 -33.2419 -42.757 -21.6772 -155.61 165.526 -28.4185 -70.1473 -267.124 PRESSAVG: 2542800 32.2644 -40.6051 -35.4128 -40.6051 -61.2465 -10.7135 -35.4128 -10.7135 4.41604 GPRESSAVG: 2542800 32.1799 -40.2466 -35.9417 -39.1644 -60.9839 -11.801 -37.0114 -8.94285 4.81731 TIMING: 2542800 CPU: 8032.93, 0.0031449/step Wall: 8032.93, 0.0031449/step, 2.14657 hours remaining, 235.714844 MB of memory in use. ENERGY: 2542800 4059.6713 20446.6440 14293.4327 242.1099 -203284.6084 2623.6978 0.0000 0.0000 51886.5999 -109732.4527 298.1930 -161619.0526 -109371.2924 298.1746 -200.3146 -175.7431 762516.5685 -8.1887 -7.9956 PRESSURE: 2543000 79.4254 1.08787 166.076 1.08785 -111.447 117.376 166.077 117.376 -109.742 GPRESSURE: 2543000 24.7059 43.3581 134.052 -17.8901 -19.1035 229.154 163.262 61.4377 -81.7058 PRESSAVG: 2543000 42.4032 -13.8752 -46.3752 -13.8752 -36.0901 -3.82967 -46.3751 -3.82967 -16.063 GPRESSAVG: 2543000 42.4405 -14.3295 -44.4625 -14.2831 -35.9849 -2.76717 -45.933 -4.94568 -16.3079 TIMING: 2543000 CPU: 8033.56, 0.00315207/step Wall: 8033.56, 0.00315207/step, 2.15129 hours remaining, 235.714844 MB of memory in use. ENERGY: 2543000 4020.9373 20382.1879 14350.1198 234.0301 -203361.1516 2662.7627 0.0000 0.0000 52135.8227 -109575.2912 299.6253 -161711.1139 -109214.3076 298.7597 -47.2547 -25.3678 762572.4104 -3.2500 -3.2841 PRESSURE: 2543200 296.823 -38.8844 -165.563 -38.8839 236.468 -111.86 -165.563 -111.86 11.9986 GPRESSURE: 2543200 390.858 -95.7235 -137.76 -59.0291 278.423 -35.6406 -94.2338 -78.9624 -70.565 PRESSAVG: 2543200 23.3624 -32.0117 -3.09594 -32.0117 -46.3978 -5.85628 -3.09595 -5.85636 -0.268252 GPRESSAVG: 2543200 23.6355 -32.6472 -4.52125 -32.5207 -46.2975 -5.0054 -5.75483 -5.62511 -1.28422 TIMING: 2543200 CPU: 8034.19, 0.00313906/step Wall: 8034.19, 0.00313906/step, 2.14224 hours remaining, 235.714844 MB of memory in use. ENERGY: 2543200 4002.5513 20425.7141 14431.3126 238.8564 -203433.9914 2741.4521 0.0000 0.0000 52109.3396 -109484.7652 299.4731 -161594.1048 -109128.1055 298.4660 181.7630 199.5722 760715.0173 -7.7679 -7.9821 PRESSURE: 2543400 -201.649 -149.168 183.308 -149.168 165.54 86.3515 183.308 86.3509 261.792 GPRESSURE: 2543400 -76.9586 -115.463 169.258 -211.727 181.635 40.9723 100.747 13.3144 216.63 PRESSAVG: 2543400 -33.4691 9.32854 -57.0012 9.3285 3.86182 -3.5972 -57.0011 -3.5972 -11.3254 GPRESSAVG: 2543400 -33.6448 11.9978 -54.687 9.01568 4.76757 -3.9811 -55.3886 -4.2194 -11.9062 TIMING: 2543400 CPU: 8034.82, 0.00315088/step Wall: 8034.82, 0.00315088/step, 2.15013 hours remaining, 235.714844 MB of memory in use. ENERGY: 2543400 3960.1987 20485.1957 14440.6586 265.3798 -203017.3038 2554.3456 0.0000 0.0000 51937.3542 -109374.1712 298.4847 -161311.5254 -109024.8884 298.8215 75.2276 107.1021 761676.6785 -13.6442 -13.5945 PRESSURE: 2543600 -489.881 8.8438 5.88673 8.84328 -64.8822 -153.568 5.88629 -153.567 -151.355 GPRESSURE: 2543600 -353.114 -151.712 -51.217 -82.5981 -41.856 -196.065 -11.2242 -113.433 -219.809 PRESSAVG: 2543600 -40.2227 -5.62635 -6.89267 -5.62633 27.6244 18.7173 -6.89269 18.7173 -2.50881 GPRESSAVG: 2543600 -39.499 -7.77488 -7.90051 -6.76862 27.0516 18.2754 -7.11073 20.5538 -3.08462 TIMING: 2543600 CPU: 8035.45, 0.00313171/step Wall: 8035.45, 0.00313171/step, 2.13687 hours remaining, 235.714844 MB of memory in use. ENERGY: 2543600 4033.0978 20528.5287 14451.7158 252.0252 -203101.1420 2536.6427 0.0000 0.0000 52073.7366 -109225.3951 299.2685 -161299.1317 -108863.6376 298.9326 -235.3727 -204.9262 761797.4462 -5.0357 -5.1773 PRESSURE: 2543800 -580.687 -21.8043 331.75 -21.805 -401.954 212.953 331.751 212.954 123.532 GPRESSURE: 2543800 -443.282 -27.5346 347.777 119.494 -456.943 117.344 262.606 156.367 130.333 PRESSAVG: 2543800 -43.3624 -19.7925 2.3728 -19.7925 37.8874 0.512414 2.37283 0.512354 -14.6408 GPRESSAVG: 2543800 -44.6518 -19.059 2.91766 -18.3955 37.1149 0.806704 2.82316 -1.21373 -12.379 TIMING: 2543800 CPU: 8036.07, 0.00314266/step Wall: 8036.07, 0.00314266/step, 2.14417 hours remaining, 235.714844 MB of memory in use. ENERGY: 2543800 3971.8753 20460.0657 14436.5048 259.7302 -203096.7479 2499.0503 0.0000 0.0000 52003.4209 -109466.1006 298.8644 -161469.5216 -109096.3755 299.7066 -286.3698 -256.6304 763611.1095 -6.7053 -6.6386 PRESSURE: 2544000 -117.215 108.374 157.78 108.374 182.944 -179.908 157.779 -179.909 568.957 GPRESSURE: 2544000 -49.4894 60.5832 112.18 109.974 209.963 -184.491 118.302 -156.031 562.961 PRESSAVG: 2544000 0.455783 38.7795 9.32831 38.7795 -38.4427 -7.12398 9.32831 -7.12404 24.8127 GPRESSAVG: 2544000 0.754606 39.1187 9.44649 38.1679 -37.8843 -7.26196 8.39185 -7.20339 23.4751 TIMING: 2544000 CPU: 8036.7, 0.00314928/step Wall: 8036.7, 0.00314928/step, 2.14851 hours remaining, 235.714844 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: 2544000 3918.0265 20548.9205 14451.8195 255.7298 -203583.2346 3051.9512 0.0000 0.0000 51926.1474 -109430.6398 298.4203 -161356.7871 -109070.9845 298.7532 211.5621 241.1448 761110.5211 -4.3914 -4.5515 PRESSURE: 2544200 -33.492 -42.5714 -233.342 -42.5708 108.301 -104.459 -233.342 -104.459 220.775 GPRESSURE: 2544200 14.9555 -49.3827 -217.544 -31.6751 46.0246 -79.2886 -188.069 -48.7867 318.586 PRESSAVG: 2544200 16.581 -12.4835 0.991753 -12.4836 -60.004 -20.594 0.991839 -20.5939 -11.8277 GPRESSAVG: 2544200 16.4405 -13.636 -1.4557 -11.5647 -60.4796 -19.5032 2.23086 -19.9541 -11.4726 TIMING: 2544200 CPU: 8037.34, 0.00316256/step Wall: 8037.34, 0.00316256/step, 2.15739 hours remaining, 235.714844 MB of memory in use. ENERGY: 2544200 4051.2332 20403.0972 14415.4156 249.2364 -203572.0444 2947.9724 0.0000 0.0000 51956.5343 -109548.5553 298.5949 -161505.0896 -109181.4476 298.7063 98.5282 126.5221 761115.3455 -18.4169 -18.5039 LDB: ============= START OF LOAD BALANCING ============== 8049.87 LDB: ============== END OF LOAD BALANCING =============== 8049.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8049.87 LDB: ============= START OF LOAD BALANCING ============== 8050.19 LDB: Largest compute 7058 load 0.031782 is 16.3% of average load 0.195479 LDB: Average compute 0.004389 is 2.2% of average load 0.195479 LDB: TIME 8050.19 LOAD: AVG 0.195479 MAX 0.213946 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.133 MB LDB: TIME 8050.19 LOAD: AVG 0.195479 MAX 0.213946 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 8050.19 LOAD: AVG 0.195479 MAX 0.213946 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 8050.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8050.2 PRESSURE: 2544400 223.532 -25.8617 -86.2757 -25.8629 75.8852 -181.001 -86.2763 -181.001 -236.537 GPRESSURE: 2544400 177.831 41.3128 -52.23 40.5238 126.046 -102.666 -89.0834 -174.085 -157.822 PRESSAVG: 2544400 -31.8089 -10.484 -37.2665 -10.4839 35.6135 -6.91098 -37.2664 -6.91104 3.22964 GPRESSAVG: 2544400 -32.8205 -9.4567 -35.683 -11.4603 36.2083 -9.55202 -37.5581 -6.95291 3.62481 TIMING: 2544400 CPU: 8037.98, 0.00322291/step Wall: 8037.98, 0.00322291/step, 2.19838 hours remaining, 236.410156 MB of memory in use. ENERGY: 2544400 3981.3411 20464.5271 14494.3132 242.4273 -203073.3798 2437.6478 0.0000 0.0000 52023.7761 -109429.3471 298.9814 -161453.1233 -109060.2314 298.7462 20.9603 48.6848 760554.9256 2.3448 2.3375 PRESSURE: 2544600 -217.954 132.857 51.4383 132.857 220.185 27.6079 51.4376 27.6084 56.0571 GPRESSURE: 2544600 -99.4114 101.624 -22.5213 133.179 174.637 120.704 151.568 35.5054 80.454 PRESSAVG: 2544600 -30.1739 -17.4932 28.5512 -17.4932 20.9139 -3.47013 28.5512 -3.47023 -0.745375 GPRESSAVG: 2544600 -27.594 -17.9819 28.9899 -16.5917 20.4343 -1.78266 28.6198 -4.12317 -2.05432 TIMING: 2544600 CPU: 8038.61, 0.00315195/step Wall: 8038.61, 0.00315195/step, 2.1498 hours remaining, 236.613281 MB of memory in use. ENERGY: 2544600 4039.9301 20384.3599 14469.9766 243.3857 -203484.5285 2767.8582 0.0000 0.0000 51855.4827 -109723.5353 298.0142 -161579.0180 -109363.7849 298.4615 19.4294 51.8932 760567.7977 -3.3351 -3.0713 PRESSURE: 2544800 -101.073 3.28344 -195.956 3.28377 -198.307 80.8494 -195.956 80.8494 11.2954 GPRESSURE: 2544800 -114.875 88.6901 -201.366 0.783254 -142.213 6.83254 -20.2611 34.9985 24.2115 PRESSAVG: 2544800 -17.604 -0.684008 0.950109 -0.683985 20.8751 -25.3508 0.950059 -25.3509 -0.350875 GPRESSAVG: 2544800 -19.778 -3.3524 0.252869 -0.514127 21.0779 -25.7955 -1.49529 -24.356 0.651268 TIMING: 2544800 CPU: 8039.24, 0.00316463/step Wall: 8039.24, 0.00316463/step, 2.15827 hours remaining, 236.613281 MB of memory in use. ENERGY: 2544800 4061.5603 20419.2050 14435.2370 235.0373 -203113.6518 2343.6084 0.0000 0.0000 52034.8964 -109584.1075 299.0453 -161619.0038 -109222.1177 298.3540 -96.0283 -77.6255 760972.9078 0.9734 0.6504 PRESSURE: 2545000 -275.142 -103.798 40.618 -103.799 -168.613 -15.954 40.6182 -15.954 -317.629 GPRESSURE: 2545000 -190.186 23.1758 0.800657 65.8286 -88.1808 -40.1784 72.0504 148.837 -400.302 PRESSAVG: 2545000 -58.3294 -34.5642 34.1342 -34.5642 31.6497 -8.99218 34.1342 -8.99211 -3.24391 GPRESSAVG: 2545000 -56.6455 -31.5848 34.0479 -34.091 31.3913 -9.68789 36.5914 -8.35702 -4.50796 TIMING: 2545000 CPU: 8039.88, 0.0031615/step Wall: 8039.88, 0.0031615/step, 2.15597 hours remaining, 236.613281 MB of memory in use. ENERGY: 2545000 3973.8113 20372.7165 14440.5738 243.3856 -203121.3242 2439.8462 0.0000 0.0000 51864.7571 -109786.2337 298.0675 -161650.9908 -109424.0428 298.5011 -253.7949 -226.2231 761184.3198 -9.9745 -9.9207 PRESSURE: 2545200 -148.849 -67.5059 -107.054 -67.5057 -242.445 -233.668 -107.054 -233.67 -468.843 GPRESSURE: 2545200 2.00639 -98.5261 -167.617 -85.6086 -307.895 -160.524 -3.34568 -224.178 -469.295 PRESSAVG: 2545200 -46.1949 -9.75373 -12.0752 -9.75372 18.6267 32.8393 -12.0751 32.8394 27.3719 GPRESSAVG: 2545200 -46.7885 -9.1584 -11.8197 -10.6041 18.9261 33.7155 -11.398 29.5222 27.3067 TIMING: 2545200 CPU: 8040.51, 0.00316109/step Wall: 8040.51, 0.00316109/step, 2.15551 hours remaining, 236.613281 MB of memory in use. ENERGY: 2545200 3953.0075 20501.7350 14405.6846 234.0245 -203280.7410 2564.4438 0.0000 0.0000 52035.1934 -109586.6521 299.0470 -161621.8455 -109230.3368 298.7284 -286.7125 -258.3947 763428.8799 -0.0654 -0.1853 PRESSURE: 2545400 155.705 29.5475 23.9949 29.5466 -15.909 170.503 23.9959 170.503 243.993 GPRESSURE: 2545400 243.371 9.30795 6.97141 -28.0209 24.5187 75.5166 74.0588 116.994 200.481 PRESSAVG: 2545400 41.2649 7.89956 6.93769 7.8996 -20.9326 24.879 6.93769 24.8791 14.9308 GPRESSAVG: 2545400 40.3873 6.31577 8.28794 9.24551 -20.9088 23.4609 4.34204 26.9415 15.3338 TIMING: 2545400 CPU: 8041.14, 0.00316641/step Wall: 8041.14, 0.00316641/step, 2.15897 hours remaining, 236.613281 MB of memory in use. ENERGY: 2545400 3854.6125 20428.1805 14418.1943 249.5636 -203148.5917 2500.6641 0.0000 0.0000 51987.3135 -109710.0634 298.7718 -161697.3768 -109341.3087 298.5787 127.9297 156.1237 760996.7104 11.7544 11.6041 PRESSURE: 2545600 -85.5747 -151.505 -22.927 -151.505 151.715 -160.265 -22.9265 -160.265 -94.0858 GPRESSURE: 2545600 5.04377 -204.575 -69.6394 -147.539 118.502 -124.668 -52.973 -127.081 -47.6695 PRESSAVG: 2545600 30.9014 8.07606 -9.80946 8.07602 -17.2815 21.0222 -9.80941 21.0223 8.69575 GPRESSAVG: 2545600 30.8672 7.91268 -10.0521 5.86941 -17.8152 22.4301 -7.3599 21.8827 9.64939 TIMING: 2545600 CPU: 8041.77, 0.00316427/step Wall: 8041.77, 0.00316427/step, 2.15733 hours remaining, 236.613281 MB of memory in use. ENERGY: 2545600 3983.5638 20362.5500 14438.1376 247.0668 -203174.3778 2568.6498 0.0000 0.0000 51789.5069 -109784.9028 297.6350 -161574.4097 -109425.1384 297.9403 -9.3152 25.2922 760942.8117 7.4385 7.5671 PRESSURE: 2545800 114.341 -110.673 -187.018 -110.673 -73.9874 -130.445 -187.019 -130.445 247.5 GPRESSURE: 2545800 108.601 -81.2984 -250.934 30.3808 -7.82309 -232.228 -159.109 -86.8486 254.584 PRESSAVG: 2545800 -11.3516 -90.2571 3.27234 -90.2571 42.8218 11.2451 3.27243 11.2451 -1.95491 GPRESSAVG: 2545800 -11.8029 -88.7253 1.67885 -88.8848 43.3643 10.5132 3.05333 12.3373 -2.21336 TIMING: 2545800 CPU: 8042.41, 0.00317654/step Wall: 8042.41, 0.00317654/step, 2.16551 hours remaining, 236.613281 MB of memory in use. ENERGY: 2545800 4008.3692 20351.9376 14477.7015 254.9305 -203201.1382 2551.8034 0.0000 0.0000 51884.3147 -109672.0812 298.1799 -161556.3959 -109310.1140 298.2718 95.9511 118.4539 761821.8661 9.8384 9.7827 PRESSURE: 2546000 102.366 -189.465 -160.756 -189.466 72.7501 4.31308 -160.756 4.31384 276.133 GPRESSURE: 2546000 85.3738 -209.909 -204.851 -100.239 89.7242 23.4624 -121.904 58.9084 353.631 PRESSAVG: 2546000 80.8652 -73.7093 1.91168 -73.7093 -58.1885 -1.33335 1.91172 -1.3334 3.7254 GPRESSAVG: 2546000 81.5682 -74.3403 2.20698 -75.0078 -58.6787 -2.80333 1.41217 -2.45921 3.61619 TIMING: 2546000 CPU: 8043.04, 0.00313919/step Wall: 8043.04, 0.00313919/step, 2.13988 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: 2546000 3978.2945 20315.2462 14373.7854 248.8532 -203276.8380 2649.2563 0.0000 0.0000 52064.7530 -109646.6494 299.2169 -161711.4024 -109296.5194 298.6374 150.4165 176.2431 761242.1801 8.8007 8.8352 PRESSURE: 2546200 -117.969 115.7 160.445 115.7 37.1842 -31.6001 160.446 -31.6008 -210.424 GPRESSURE: 2546200 -13.3349 239.759 227.794 -25.6633 95.5085 106.973 69.9583 -93.606 -301.744 PRESSAVG: 2546200 46.3784 25.4414 -35.3266 25.4414 -0.939232 8.94969 -35.3265 8.94965 -5.4953 GPRESSAVG: 2546200 46.2531 25.9053 -35.8045 25.8003 -1.49402 10.4735 -34.4503 8.12351 -4.82405 TIMING: 2546200 CPU: 8043.67, 0.00316223/step Wall: 8043.67, 0.00316223/step, 2.15541 hours remaining, 236.613281 MB of memory in use. ENERGY: 2546200 3941.9269 20392.3156 14359.9666 262.7342 -203636.8850 2864.6929 0.0000 0.0000 52288.8205 -109526.4282 300.5046 -161815.2488 -109161.4945 298.4814 -97.0693 -73.1902 761309.5392 13.3146 13.3117 PRESSURE: 2546400 27.4054 5.41142 -142.472 5.4122 -81.05 97.778 -142.472 97.7781 -238.879 GPRESSURE: 2546400 40.7699 -116.742 -125.258 -37.1695 -42.004 102.474 -131.829 -46.1288 -214.553 PRESSAVG: 2546400 1.41795 -71.4296 -54.3191 -71.4295 -14.3037 -23.5741 -54.319 -23.5742 16.392 GPRESSAVG: 2546400 2.59812 -71.9198 -53.1344 -70.6502 -13.4382 -24.0219 -54.7526 -22.7347 14.6955 TIMING: 2546400 CPU: 8044.3, 0.0031623/step Wall: 8044.3, 0.0031623/step, 2.15528 hours remaining, 236.613281 MB of memory in use. ENERGY: 2546400 4052.4049 20540.7668 14428.5331 251.9644 -203270.5400 2506.7282 0.0000 0.0000 52065.5570 -109424.5856 299.2215 -161490.1426 -109061.7319 298.7825 -97.5080 -71.9290 763626.1594 1.1688 1.2851 PRESSURE: 2546600 170.36 -133.979 -80.1411 -133.979 -197.358 106.699 -80.1413 106.7 -216.961 GPRESSURE: 2546600 142.131 -213.455 -3.69796 -140.459 -147.092 42.4436 -72.2515 154.084 -155.059 PRESSAVG: 2546600 -6.19198 -11.8852 -19.808 -11.8852 21.8137 41.6318 -19.808 41.6319 -7.76963 GPRESSAVG: 2546600 -6.36241 -11.2266 -18.966 -13.422 21.3078 43.008 -21.5177 39.4303 -6.93203 TIMING: 2546600 CPU: 8044.93, 0.00316169/step Wall: 8044.93, 0.00316169/step, 2.15469 hours remaining, 236.613281 MB of memory in use. ENERGY: 2546600 3954.9908 20523.1893 14357.9457 227.2978 -203110.5565 2412.3823 0.0000 0.0000 52116.6445 -109518.1061 299.5151 -161634.7506 -109160.3852 299.0507 -81.3196 -53.3400 761551.4335 2.6173 2.6711 PRESSURE: 2546800 -608.672 -205.219 -26.9689 -205.219 176.616 -30.267 -26.9697 -30.2674 -148.839 GPRESSURE: 2546800 -386.808 -134.898 -30.1037 -139.682 89.9149 -56.9572 31.2528 113.691 -179.326 PRESSAVG: 2546800 8.0189 -40.3636 -3.52689 -40.3637 -12.122 13.6232 -3.52692 13.6232 3.24303 GPRESSAVG: 2546800 8.04886 -40.4208 -4.47536 -39.0403 -11.7085 13.4806 -2.32286 16.2743 3.11179 TIMING: 2546800 CPU: 8045.57, 0.00316356/step Wall: 8045.57, 0.00316356/step, 2.15579 hours remaining, 236.613281 MB of memory in use. ENERGY: 2546800 3966.9874 20458.8011 14414.9860 242.5524 -203329.3896 2581.2297 0.0000 0.0000 52129.4792 -109535.3536 299.5888 -161664.8329 -109158.7531 298.6450 -193.6319 -158.7397 759701.0961 -0.2867 -0.1826 PRESSURE: 2547000 299.928 53.851 18.9705 53.8512 55.5446 23.4143 18.9704 23.4158 -246.629 GPRESSURE: 2547000 293.45 222.784 -23.7179 53.1132 66.5093 16.5215 60.1699 -42.6966 -163.118 PRESSAVG: 2547000 12.1424 -30.8213 -30.5741 -30.8213 18.3293 -7.40475 -30.5741 -7.40472 46.7233 GPRESSAVG: 2547000 11.3786 -31.3139 -31.228 -31.9515 18.9883 -7.79179 -30.3049 -8.65397 46.9489 TIMING: 2547000 CPU: 8046.2, 0.00315553/step Wall: 8046.2, 0.00315553/step, 2.15014 hours remaining, 236.613281 MB of memory in use. ENERGY: 2547000 3951.5572 20504.9817 14377.0802 235.6598 -202908.8753 2158.7589 0.0000 0.0000 52217.0267 -109463.8109 300.0920 -161680.8376 -109099.8442 298.5474 36.2811 65.6137 759941.8301 25.7317 25.7719 PRESSURE: 2547200 352.387 149.755 -7.97406 149.754 153.266 188.668 -7.97478 188.669 -18.0788 GPRESSURE: 2547200 384.287 127.01 -11.168 114.729 196.585 184.504 39.1414 210.419 -17.9425 PRESSAVG: 2547200 9.35253 -36.7813 -25.7599 -36.7813 -4.41104 -9.13094 -25.76 -9.13098 -8.54238 GPRESSAVG: 2547200 9.99012 -37.4665 -24.5669 -35.9141 -5.11031 -10.0493 -29.0663 -6.88884 -8.6335 TIMING: 2547200 CPU: 8046.83, 0.00316856/step Wall: 8046.83, 0.00316856/step, 2.15884 hours remaining, 236.613281 MB of memory in use. ENERGY: 2547200 3968.6633 20461.5079 14436.9000 256.3175 -203232.4418 2645.1251 0.0000 0.0000 52228.8907 -109235.0373 300.1602 -161463.9280 -108879.9181 299.1106 162.5247 187.6432 761885.2781 -1.2003 -1.2512 PRESSURE: 2547400 -143.993 166.426 38.0735 166.426 -201.814 -39.1554 38.0731 -39.1546 -95.6607 GPRESSURE: 2547400 10.2996 74.2271 -12.7819 61.2026 -240.26 -77.7743 99.3441 -74.5779 -138.859 PRESSAVG: 2547400 27.0228 54.2268 -38.0707 54.2268 -13.4843 29.1878 -38.0707 29.1879 -14.3326 GPRESSAVG: 2547400 26.8474 54.4491 -37.0051 54.1189 -13.7891 29.8185 -37.2304 25.7271 -13.7853 TIMING: 2547400 CPU: 8047.47, 0.00317684/step Wall: 8047.47, 0.00317684/step, 2.16431 hours remaining, 236.613281 MB of memory in use. ENERGY: 2547400 3956.3384 20497.5656 14469.7013 246.1701 -202999.4110 2415.9015 0.0000 0.0000 52050.4863 -109363.2479 299.1349 -161413.7342 -108992.7068 299.1676 -147.1560 -122.9399 761439.2138 -0.2647 -0.2424 PRESSURE: 2547600 271.911 -17.8705 -186.92 -17.8717 -390.019 77.4695 -186.919 77.4695 113.117 GPRESSURE: 2547600 232.74 -71.6496 -166.83 13.5286 -286.53 109.36 -120.644 135.873 149.836 PRESSAVG: 2547600 -1.50667 4.07362 -42.4364 4.07363 -90.4594 23.6384 -42.4364 23.6384 -14.2433 GPRESSAVG: 2547600 -2.03449 3.9067 -45.2307 3.74919 -89.6823 26.188 -39.769 23.5393 -14.3482 TIMING: 2547600 CPU: 8048.1, 0.00315926/step Wall: 8048.1, 0.00315926/step, 2.15216 hours remaining, 236.613281 MB of memory in use. ENERGY: 2547600 3956.9532 20481.3314 14477.5830 241.2502 -203196.2624 2495.2626 0.0000 0.0000 51938.4896 -109605.3924 298.4912 -161543.8820 -109243.1901 298.3794 -1.6636 32.0151 760952.5224 -35.4031 -35.3550 PRESSURE: 2547800 -166.842 -173.987 31.476 -173.987 -214.92 13.3948 31.4767 13.3941 -432.469 GPRESSURE: 2547800 -182.741 -131.306 74.7963 -147.633 -187.249 63.4926 -8.15444 -13.4567 -365.755 PRESSAVG: 2547800 62.9155 -31.5498 14.691 -31.5498 -76.0538 40.6605 14.691 40.6605 -12.7589 GPRESSAVG: 2547800 62.5775 -32.1209 16.8996 -30.482 -76.6277 39.075 12.4029 42.6299 -11.775 TIMING: 2547800 CPU: 8048.74, 0.00318945/step Wall: 8048.74, 0.00318945/step, 2.17255 hours remaining, 236.613281 MB of memory in use. ENERGY: 2547800 3956.6250 20521.5943 14391.6915 232.5826 -202882.2855 2294.5875 0.0000 0.0000 51847.5560 -109637.6486 297.9686 -161485.2045 -109276.7104 298.6816 -271.4104 -245.2483 761244.6919 -8.6324 -8.6084 PRESSURE: 2548000 -150.652 56.2758 170.736 56.2762 -87.6375 -3.52607 170.736 -3.52641 -115.978 GPRESSURE: 2548000 -71.977 53.413 175.857 63.0559 -89.8391 135.231 188.3 -164.585 -123.896 PRESSAVG: 2548000 18.9592 -16.6782 6.30398 -16.6782 14.438 10.7391 6.30399 10.7392 13.7873 GPRESSAVG: 2548000 19.0317 -16.5912 5.92571 -17.4777 15.8689 10.9465 6.56167 9.87586 12.3962 TIMING: 2548000 CPU: 8049.37, 0.00316124/step Wall: 8049.37, 0.00316124/step, 2.15316 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: 2548000 3928.0946 20522.5775 14450.2750 260.4122 -203399.0784 2701.4509 0.0000 0.0000 51793.7979 -109742.4704 297.6597 -161536.2682 -109387.8536 298.3183 -118.0890 -95.2373 761356.5911 15.7282 15.7656 PRESSURE: 2548200 -499.613 91.4426 -77.3759 91.4425 -506.546 20.4381 -77.3746 20.4395 -271.531 GPRESSURE: 2548200 -437.308 93.252 -191.996 -3.11464 -479.535 17.497 -127.129 146.517 -270.623 PRESSAVG: 2548200 -11.2082 27.8363 60.787 27.8363 -58.8615 -3.82751 60.7869 -3.82754 15.3772 GPRESSAVG: 2548200 -10.8526 27.6689 60.5563 27.7335 -60.2075 -3.0682 59.8023 -1.86035 16.2988 TIMING: 2548200 CPU: 8050, 0.00315664/step Wall: 8050, 0.00315664/step, 2.14985 hours remaining, 236.613281 MB of memory in use. ENERGY: 2548200 4088.1534 20412.6193 14455.1682 225.9474 -203129.8809 2185.2770 0.0000 0.0000 51946.4726 -109816.2430 298.5371 -161762.7157 -109458.9597 297.9595 -425.8966 -395.8219 762886.7197 -18.2309 -18.2538 LDB: ============= START OF LOAD BALANCING ============== 8062.54 LDB: ============== END OF LOAD BALANCING =============== 8062.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8062.54 LDB: ============= START OF LOAD BALANCING ============== 8062.86 LDB: Largest compute 7031 load 0.030700 is 15.7% of average load 0.195555 LDB: Average compute 0.004396 is 2.2% of average load 0.195555 LDB: TIME 8062.86 LOAD: AVG 0.195555 MAX 0.216518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 8062.86 LOAD: AVG 0.195555 MAX 0.216518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 8062.86 LOAD: AVG 0.195555 MAX 0.216518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 8062.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8062.87 PRESSURE: 2548400 -222.113 -61.481 -62.6384 -61.4811 -183.56 -156.143 -62.6389 -156.143 -126.893 GPRESSURE: 2548400 -206.622 -75.7705 -15.8528 -153.513 -115.56 -148.127 28.7343 -98.9989 -111.592 PRESSAVG: 2548400 8.08201 -4.93213 -18.595 -4.93222 -16.4022 7.92257 -18.595 7.9226 3.5941 GPRESSAVG: 2548400 8.24672 -3.17654 -18.9308 -5.16483 -14.7623 6.78551 -16.3675 5.97242 2.46807 TIMING: 2548400 CPU: 8050.65, 0.0032466/step Wall: 8050.65, 0.0032466/step, 2.21093 hours remaining, 238.265625 MB of memory in use. ENERGY: 2548400 4028.5928 20417.1829 14452.3044 250.6683 -203802.8091 2802.9047 0.0000 0.0000 52073.0212 -109778.1349 299.2644 -161851.1561 -109425.7465 298.4066 -177.5218 -144.5913 761681.4606 -1.5753 -1.3492 PRESSURE: 2548600 -6.9604 -79.2678 -180.772 -79.2673 -176.889 27.5626 -180.773 27.5635 -213.382 GPRESSURE: 2548600 -103.657 -142.211 -325.748 -133.07 -72.7052 2.57978 -246.059 121.653 -150.979 PRESSAVG: 2548600 8.79513 34.3286 -56.4583 34.3286 -28.0697 -13.2842 -56.4583 -13.2842 -37.2931 GPRESSAVG: 2548600 8.90538 33.1491 -55.7456 36.8191 -28.6861 -12.504 -57.1949 -12.5561 -36.6301 TIMING: 2548600 CPU: 8051.29, 0.0032059/step Wall: 8051.29, 0.0032059/step, 2.18304 hours remaining, 238.808594 MB of memory in use. ENERGY: 2548600 4014.4149 20536.8294 14444.1760 250.0547 -203093.9311 2427.9385 0.0000 0.0000 51760.0351 -109660.4825 297.4656 -161420.5176 -109306.8064 298.5140 -132.4105 -109.1138 761759.6269 -18.8559 -18.8036 PRESSURE: 2548800 -191.961 -341.518 -166.252 -341.518 70.8986 -158.745 -166.253 -158.745 -9.58017 GPRESSURE: 2548800 -176.086 -269.221 -123.091 -304.888 110.597 -206.497 -134.392 -223.602 3.63972 PRESSAVG: 2548800 5.15103 18.4362 -14.3842 18.4362 23.0398 -60.489 -14.3842 -60.489 16.3326 GPRESSAVG: 2548800 5.52764 17.2803 -13.8407 16.6933 24.1059 -60.615 -15.0909 -60.7782 15.038 TIMING: 2548800 CPU: 8051.93, 0.00319049/step Wall: 8051.93, 0.00319049/step, 2.17237 hours remaining, 238.808594 MB of memory in use. ENERGY: 2548800 4025.5199 20520.6397 14424.5768 235.2912 -203423.1738 2413.9009 0.0000 0.0000 52107.8908 -109695.3543 299.4648 -161803.2452 -109336.0521 298.3465 -43.5475 -20.6165 761523.4601 14.8411 14.8905 PRESSURE: 2549000 216.794 64.9781 -5.98997 64.9775 224.357 112.554 -5.99023 112.553 657.856 GPRESSURE: 2549000 181.418 -56.6936 21.2677 33.9098 301.746 87.5479 7.86395 88.0799 717.607 PRESSAVG: 2549000 -81.0081 3.58866 49.3152 3.58864 48.4957 -18.6928 49.3152 -18.6928 10.7626 GPRESSAVG: 2549000 -81.1936 2.91071 49.3686 3.93564 47.368 -19.3966 50.0219 -18.9113 11.9678 TIMING: 2549000 CPU: 8052.57, 0.00319051/step Wall: 8052.57, 0.00319051/step, 2.17221 hours remaining, 238.808594 MB of memory in use. ENERGY: 2549000 4030.0576 20283.4077 14476.7032 237.2337 -203703.6504 3086.9441 0.0000 0.0000 52026.5851 -109562.7189 298.9975 -161589.3040 -109192.6445 298.9072 366.3353 400.2570 761889.6013 -7.2499 -7.2859 PRESSURE: 2549200 -60.9468 -33.7306 -116.243 -33.7303 65.8528 41.4967 -116.243 41.4965 82.3795 GPRESSURE: 2549200 27.2748 55.9286 -60.0543 -21.7351 120.37 95.4119 -88.9056 21.6254 43.2697 PRESSAVG: 2549200 -1.61226 -24.4081 -14.2625 -24.4082 -37.6591 22.95 -14.2626 22.95 -21.0721 GPRESSAVG: 2549200 -1.46691 -24.2618 -14.1369 -21.7295 -38.0624 24.9289 -14.5407 24.2672 -20.4786 TIMING: 2549200 CPU: 8053.2, 0.00315213/step Wall: 8053.2, 0.00315213/step, 2.1459 hours remaining, 238.808594 MB of memory in use. ENERGY: 2549200 3981.8171 20371.3915 14470.3458 257.7639 -203423.0735 2800.1239 0.0000 0.0000 51954.3358 -109587.2955 298.5823 -161541.6313 -109218.3711 298.9677 29.0952 63.6380 762086.2149 -20.1145 -20.0026 PRESSURE: 2549400 -9.89779 43.9468 -76.1663 43.9465 -2.038 167.814 -76.1651 167.814 -158.12 GPRESSURE: 2549400 -27.4474 59.4827 -111.743 2.03874 85.5733 158.782 -109.889 141.572 -145.925 PRESSAVG: 2549400 -0.511192 4.90839 3.52408 4.9084 16.3458 46.7149 3.52409 46.7149 16.1922 GPRESSAVG: 2549400 -1.30433 4.87919 3.15012 1.08286 17.4107 46.0573 4.3345 45.7744 15.2911 TIMING: 2549400 CPU: 8053.83, 0.00317763/step Wall: 8053.83, 0.00317763/step, 2.16308 hours remaining, 238.808594 MB of memory in use. ENERGY: 2549400 3997.6903 20475.4825 14435.7848 253.0602 -203241.1331 2539.9118 0.0000 0.0000 51954.9744 -109584.2292 298.5860 -161539.2036 -109218.7304 298.8434 -56.6852 -29.2663 762616.3844 10.6756 10.4658 PRESSURE: 2549600 -123.83 -112.148 -0.817136 -112.147 -41.2723 224.302 -0.81636 224.304 18.9093 GPRESSURE: 2549600 -152.718 -144.904 -7.39369 -10.5425 16.2586 220.385 57.5851 266.682 66.8199 PRESSAVG: 2549600 -38.4474 -0.91076 47.482 -0.910786 15.4653 7.03089 47.4821 7.03097 -18.901 GPRESSAVG: 2549600 -38.9179 -0.590778 47.4843 -0.977863 14.8628 6.01063 47.2999 6.08847 -17.9945 TIMING: 2549600 CPU: 8054.47, 0.00316243/step Wall: 8054.47, 0.00316243/step, 2.15256 hours remaining, 238.875000 MB of memory in use. ENERGY: 2549600 4043.4309 20386.3445 14452.1360 243.4936 -203422.2924 2562.2854 0.0000 0.0000 52196.8095 -109537.7924 299.9758 -161734.6019 -109170.1708 298.9449 -48.7309 -23.2130 761754.9655 -13.9610 -14.0166 PRESSURE: 2549800 -123.548 -152.814 55.3863 -152.814 -360.229 37.7192 55.3876 37.7199 -42.2684 GPRESSURE: 2549800 -137.938 -120.168 35.8481 -253.018 -299.852 -83.8203 32.5907 -75.4686 0.202878 PRESSAVG: 2549800 -31.0715 -28.9552 56.7208 -28.9552 17.7164 0.0939384 56.7209 0.0939382 12.947 GPRESSAVG: 2549800 -31.8664 -27.7263 56.4872 -28.5339 18.9529 0.128446 57.6428 0.150754 12.3949 TIMING: 2549800 CPU: 8055.1, 0.00316384/step Wall: 8055.1, 0.00316384/step, 2.15334 hours remaining, 238.875000 MB of memory in use. ENERGY: 2549800 3949.0462 20588.0203 14486.9848 237.7755 -203292.3639 2564.8588 0.0000 0.0000 52103.2701 -109362.4080 299.4382 -161465.6781 -109003.6078 299.0157 -175.3483 -145.8624 762335.5835 -0.1360 -0.1729 PRESSURE: 2550000 -151.862 -46.5883 165.381 -46.5886 171.229 133.493 165.381 133.493 381.038 GPRESSURE: 2550000 -47.0095 -98.9968 204.375 -153.328 123.942 165.408 112.109 131.341 426.11 PRESSAVG: 2550000 29.6307 29.3144 35.9122 29.3143 -44.4365 -35.5065 35.9122 -35.5066 -16.7631 GPRESSAVG: 2550000 31.4096 27.1795 36.1513 29.6649 -46.0644 -37.1 35.1701 -34.9923 -16.216 TIMING: 2550000 CPU: 8055.73, 0.00314397/step Wall: 8055.73, 0.00314397/step, 2.13965 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: 2550000 4017.1495 20656.4819 14408.7132 274.8219 -203539.0940 2860.0096 0.0000 0.0000 51833.4164 -109488.5015 297.8874 -161321.9179 -109134.3542 299.3656 133.4685 167.6808 761850.1974 -10.5230 -10.2903 PRESSURE: 2550200 198.735 -38.517 73.6424 -38.517 85.9929 -142.972 73.6433 -142.972 150.304 GPRESSURE: 2550200 277.299 -18.5248 127.641 45.2702 32.6236 -192.568 45.6426 -106.109 218.457 PRESSAVG: 2550200 11.6189 56.3835 68.3384 56.3835 -22.6297 -21.8998 68.3384 -21.8997 28.1933 GPRESSAVG: 2550200 13.0872 57.5551 69.3769 55.5133 -22.2307 -21.4668 67.676 -20.7487 26.901 TIMING: 2550200 CPU: 8056.36, 0.00314824/step Wall: 8056.36, 0.00314824/step, 2.14238 hours remaining, 238.875000 MB of memory in use. ENERGY: 2550200 4060.8066 20506.4329 14420.6261 253.3096 -203950.7305 3058.4562 0.0000 0.0000 52001.7649 -109649.3342 298.8549 -161651.0992 -109284.5947 298.8283 145.0104 176.1266 759363.0955 5.7275 5.9192 PRESSURE: 2550400 159.161 53.0851 5.86961 53.0846 155.416 100.465 5.86949 100.464 -193.655 GPRESSURE: 2550400 147.586 59.0632 -21.8434 25.6354 213.643 60.2762 -5.65425 -84.9741 -171.236 PRESSAVG: 2550400 -19.7375 -13.7692 -57.5698 -13.7692 7.24575 -26.8494 -57.5698 -26.8493 21.9492 GPRESSAVG: 2550400 -21.2881 -13.1285 -57.9122 -13.2237 7.07376 -24.2244 -57.8639 -28.7703 23.3291 TIMING: 2550400 CPU: 8056.99, 0.00315657/step Wall: 8056.99, 0.00315657/step, 2.14787 hours remaining, 238.875000 MB of memory in use. ENERGY: 2550400 4010.2532 20422.0535 14415.5703 246.1409 -203648.8506 2882.7649 0.0000 0.0000 52001.2458 -109670.8221 298.8519 -161672.0679 -109304.1527 298.8756 40.3074 63.3313 760590.9881 3.1525 3.0383 PRESSURE: 2550600 -28.645 -15.5409 350.701 -15.5416 -130.136 2.4379 350.7 2.43915 516.213 GPRESSURE: 2550600 -14.0431 8.29682 374.497 -20.3726 -41.1193 -18.9469 245.167 83.2863 508.112 PRESSAVG: 2550600 -23.7369 13.9041 55.4887 13.9041 15.058 -17.1054 55.4887 -17.1054 28.6643 GPRESSAVG: 2550600 -24.1193 12.7764 54.5168 14.2689 15.958 -18.4645 56.2397 -15.6745 27.8615 TIMING: 2550600 CPU: 8057.62, 0.00316422/step Wall: 8057.62, 0.00316422/step, 2.1529 hours remaining, 238.875000 MB of memory in use. ENERGY: 2550600 3990.5552 20575.8014 14466.4881 231.4260 -203498.6930 2756.5057 0.0000 0.0000 51933.4973 -109544.4192 298.4625 -161477.9165 -109179.6438 299.0096 119.1439 150.9832 760469.4967 6.6618 6.5667 PRESSURE: 2550800 -149.14 7.24827 129.896 7.24852 -22.1133 51.2669 129.896 51.2654 524.163 GPRESSURE: 2550800 -94.6853 104.83 108.013 -3.23528 -35.8493 97.1301 140.45 123.978 568.242 PRESSAVG: 2550800 12.4669 -37.772 -0.197676 -37.772 9.25887 1.05339 -0.197734 1.05338 16.8058 GPRESSAVG: 2550800 12.0106 -36.7478 0.309042 -35.6411 10.0051 0.306892 -0.741924 1.64241 16.6833 TIMING: 2550800 CPU: 8058.25, 0.00315407/step Wall: 8058.25, 0.00315407/step, 2.14582 hours remaining, 238.875000 MB of memory in use. ENERGY: 2550800 4027.3899 20518.5234 14405.3731 238.4977 -203381.5669 2735.1308 0.0000 0.0000 51996.6040 -109460.0480 298.8252 -161456.6521 -109086.0218 299.2287 117.6366 145.9023 759736.7932 12.8439 12.8997 PRESSURE: 2551000 10.8181 68.5761 -147.287 68.5754 -16.0137 34.597 -147.286 34.5974 281.082 GPRESSURE: 2551000 98.0501 131.207 -126.834 -103.867 -37.9259 1.82992 -230.926 93.0514 308.462 PRESSAVG: 2551000 30.1752 -20.7198 -7.02906 -20.7199 -41.7557 -2.99975 -7.02907 -2.99975 19.2636 GPRESSAVG: 2551000 31.5222 -19.4268 -6.26714 -22.8364 -43.979 -1.54748 -8.31076 -3.93832 19.4964 TIMING: 2551000 CPU: 8058.89, 0.00316603/step Wall: 8058.89, 0.00316603/step, 2.15378 hours remaining, 238.875000 MB of memory in use. ENERGY: 2551000 3972.5095 20486.1906 14512.0416 245.4110 -203173.7509 2432.2852 0.0000 0.0000 52086.2593 -109439.0536 299.3404 -161525.3129 -109074.2869 299.6671 91.9622 122.8621 761005.1261 2.5610 2.3465 PRESSURE: 2551200 -35.2905 85.8439 -111.355 85.8434 -94.6451 230.583 -111.356 230.583 132.089 GPRESSURE: 2551200 41.5309 63.8936 -139.265 -42.8941 -22.9324 204.155 8.48777 255.413 72.0035 PRESSAVG: 2551200 46.9648 -61.2918 -16.8817 -61.2918 -35.0915 12.4717 -16.8816 12.4717 21.5864 GPRESSAVG: 2551200 46.5433 -65.7357 -17.3599 -59.7482 -34.0243 11.1638 -14.471 13.7637 21.4845 TIMING: 2551200 CPU: 8059.52, 0.00316641/step Wall: 8059.52, 0.00316641/step, 2.15386 hours remaining, 238.875000 MB of memory in use. ENERGY: 2551200 4003.0795 20380.1272 14412.5797 246.2917 -203625.0984 2706.9923 0.0000 0.0000 52353.7554 -109522.2725 300.8778 -161876.0279 -109154.4624 299.4794 0.7177 30.2007 760064.4108 11.1532 11.3345 PRESSURE: 2551400 26.7548 -324.608 32.4834 -324.608 157.266 106.304 32.4834 106.305 266.416 GPRESSURE: 2551400 45.6575 -127.782 68.837 -208.788 163.714 59.5424 -125.914 119.801 313.695 PRESSAVG: 2551400 43.5963 -32.6803 -9.44583 -32.6803 6.70505 5.64257 -9.44578 5.64265 5.99473 GPRESSAVG: 2551400 43.7205 -29.8609 -9.3139 -34.7509 6.78249 5.93471 -11.1688 5.00839 5.37645 TIMING: 2551400 CPU: 8060.15, 0.00316406/step Wall: 8060.15, 0.00316406/step, 2.15209 hours remaining, 238.875000 MB of memory in use. ENERGY: 2551400 3998.8153 20527.8741 14542.3644 255.9089 -203474.3060 2750.4375 0.0000 0.0000 52112.4835 -109286.4223 299.4912 -161398.9058 -108918.8185 298.9380 150.1456 174.3552 761548.1789 18.7654 18.6265 PRESSURE: 2551600 -301.059 -207.765 -175.482 -207.765 -209.182 -111.278 -175.482 -111.278 -153.143 GPRESSURE: 2551600 -280.119 -251.242 -163.648 -144.071 -144.097 -80.5357 -146.755 -179.782 -153.522 PRESSAVG: 2551600 3.13332 -37.2825 -1.17081 -37.2826 -21.6638 -17.2913 -1.17077 -17.2914 -3.01307 GPRESSAVG: 2551600 2.68078 -37.2449 -0.768651 -34.9513 -21.7129 -17.9934 -1.45406 -16.1796 -2.53119 TIMING: 2551600 CPU: 8060.79, 0.00317488/step Wall: 8060.79, 0.00317488/step, 2.15927 hours remaining, 238.875000 MB of memory in use. ENERGY: 2551600 3995.2007 20468.9937 14455.3637 272.2019 -202988.5922 2258.0883 0.0000 0.0000 51939.8471 -109598.8968 298.4990 -161538.7438 -109235.0380 299.0849 -221.1280 -192.5794 763173.5736 -7.1812 -7.1878 PRESSURE: 2551800 277.983 -41.2144 95.2116 -41.2145 181.261 117.493 95.2115 117.493 -256.058 GPRESSURE: 2551800 287.136 -64.1419 41.4765 -60.3431 188.316 178.817 129.403 90.9741 -177.964 PRESSAVG: 2551800 2.53249 -34.0186 -12.0759 -34.0186 -8.37429 -20.3343 -12.0758 -20.3343 -13.2885 GPRESSAVG: 2551800 3.10534 -33.8999 -11.0996 -34.9198 -8.8288 -19.8085 -11.8111 -20.4857 -12.9438 TIMING: 2551800 CPU: 8061.42, 0.00318806/step Wall: 8061.42, 0.00318806/step, 2.16806 hours remaining, 238.875000 MB of memory in use. ENERGY: 2551800 3932.1512 20469.3632 14437.7115 236.5916 -203316.7418 2512.7076 0.0000 0.0000 52006.6597 -109721.5570 298.8830 -161728.2167 -109361.4447 298.5737 67.7289 99.1625 761744.1593 -6.3768 -6.2224 PRESSURE: 2552000 -36.4315 -64.2292 -86.3138 -64.2294 -22.9678 2.3354 -86.3128 2.33508 -6.21932 GPRESSURE: 2552000 -89.4248 -23.5708 -47.6433 66.144 114.474 -36.1018 -130.658 -8.15477 1.79889 PRESSAVG: 2552000 -2.58893 -63.9894 44.7702 -63.9893 -16.0046 24.6889 44.7702 24.6889 -6.6904 GPRESSAVG: 2552000 -2.96214 -65.4571 42.6307 -65.2176 -14.8234 25.3142 44.5923 23.0818 -7.32478 TIMING: 2552000 CPU: 8062.06, 0.00316969/step Wall: 8062.06, 0.00316969/step, 2.15539 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: 2552000 3981.2871 20663.0815 14448.5433 253.4504 -203384.4421 2525.2678 0.0000 0.0000 51939.0399 -109573.7721 298.4944 -161512.8120 -109211.3300 298.9090 -21.8729 8.9494 762236.6267 -8.4280 -8.3701 PRESSURE: 2552200 -424.754 -75.4962 -127.865 -75.4966 -170.856 -30.279 -127.865 -30.2801 -106.673 GPRESSURE: 2552200 -419.282 -61.0722 -21.1926 -69.902 -97.0524 -62.0889 -220.271 35.6355 -100.023 PRESSAVG: 2552200 -51.8407 -65.9949 30.3369 -65.9949 38.4733 6.52925 30.3369 6.52924 -13.4493 GPRESSAVG: 2552200 -52.2485 -64.6655 30.7388 -65.8144 38.3826 6.05108 31.1687 6.19064 -12.8502 TIMING: 2552200 CPU: 8062.69, 0.00316916/step Wall: 8062.69, 0.00316916/step, 2.15485 hours remaining, 238.875000 MB of memory in use. ENERGY: 2552200 3950.3675 20532.5570 14390.5303 246.2080 -203360.0552 2413.1992 0.0000 0.0000 52136.3029 -109690.8903 299.6280 -161827.1932 -109332.4566 298.9652 -234.0942 -205.4524 762888.7544 -8.9389 -8.9053 LDB: ============= START OF LOAD BALANCING ============== 8075.22 LDB: ============== END OF LOAD BALANCING =============== 8075.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8075.23 LDB: ============= START OF LOAD BALANCING ============== 8075.54 LDB: Largest compute 7058 load 0.031968 is 16.3% of average load 0.195612 LDB: Average compute 0.004405 is 2.3% of average load 0.195612 LDB: TIME 8075.55 LOAD: AVG 0.195612 MAX 0.214188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.633 MB LDB: TIME 8075.55 LOAD: AVG 0.195612 MAX 0.214188 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.703 MB LDB: TIME 8075.55 LOAD: AVG 0.195612 MAX 0.214188 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.703 MB LDB: ============== END OF LOAD BALANCING =============== 8075.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8075.55 PRESSURE: 2552400 181.356 -15.2913 20.1706 -15.292 324.126 -127.365 20.1701 -127.365 155.471 GPRESSURE: 2552400 265.328 28.5086 121.111 -119.665 273.431 -218.95 -87.554 48.2194 206.262 PRESSAVG: 2552400 -25.8299 -87.4157 62.1436 -87.4156 -1.79478 -8.81108 62.1436 -8.8111 -18.1458 GPRESSAVG: 2552400 -25.4434 -87.1967 63.0092 -85.0436 -2.15697 -9.9983 62.0195 -4.62147 -18.3252 TIMING: 2552400 CPU: 8063.34, 0.00322672/step Wall: 8063.34, 0.00322672/step, 2.19381 hours remaining, 236.011719 MB of memory in use. ENERGY: 2552400 4016.5915 20527.8197 14409.1137 248.3780 -203766.8945 2839.3909 0.0000 0.0000 51991.4750 -109734.1257 298.7957 -161725.6007 -109363.3610 298.4615 220.3175 248.3400 761000.6486 -15.2568 -15.3085 PRESSURE: 2552600 -86.0352 -227.704 -53.3794 -227.704 -5.52647 183.497 -53.3804 183.497 -303.814 GPRESSURE: 2552600 -23.4373 -249.105 15.1432 -45.7232 24.4547 198.09 -48.7313 175.768 -301.271 PRESSAVG: 2552600 -4.85109 -56.5546 24.4024 -56.5546 -36.4089 -31.7033 24.4024 -31.7033 6.26754 GPRESSAVG: 2552600 -5.31293 -56.9596 22.7715 -58.2704 -36.0489 -31.233 24.1513 -34.384 6.814 TIMING: 2552600 CPU: 8063.97, 0.00316068/step Wall: 8063.97, 0.00316068/step, 2.14874 hours remaining, 236.214844 MB of memory in use. ENERGY: 2552600 4033.2499 20381.8915 14422.0784 244.2832 -203467.2590 2675.0613 0.0000 0.0000 52032.1483 -109678.5463 299.0295 -161710.6946 -109311.3626 298.7937 -131.7918 -100.0846 761926.1985 -11.6642 -11.5159 PRESSURE: 2552800 536.781 -70.7858 113.725 -70.7851 127.527 17.0387 113.726 17.0399 148.029 GPRESSURE: 2552800 520.234 -116.921 43.8985 -45.4622 189.621 -14.2622 -17.8309 94.2045 178.947 PRESSAVG: 2552800 -9.77641 -67.3386 -38.8027 -67.3385 25.4327 -41.371 -38.8026 -41.371 2.02333 GPRESSAVG: 2552800 -10.4434 -67.0709 -38.4014 -67.0099 24.9258 -41.8841 -36.1774 -41.1278 2.01842 TIMING: 2552800 CPU: 8064.6, 0.00316045/step Wall: 8064.6, 0.00316045/step, 2.14841 hours remaining, 236.214844 MB of memory in use. ENERGY: 2552800 3984.3296 20447.1781 14367.7619 244.6334 -203444.5036 2618.7402 0.0000 0.0000 52089.2790 -109692.5814 299.3578 -161781.8604 -109315.3480 299.0060 270.7790 296.2674 761199.2288 5.8932 5.5003 PRESSURE: 2553000 -218.796 -164.842 -8.65766 -164.842 52.0059 206.658 -8.65784 206.659 -53.4059 GPRESSURE: 2553000 -135.126 -30.4105 46.6153 -162.168 57.2978 300.218 -144.22 95.918 -74.225 PRESSAVG: 2553000 -18.6772 -11.3464 -7.18788 -11.3463 -2.37271 1.91124 -7.18785 1.91112 -33.8976 GPRESSAVG: 2553000 -18.2328 -11.0048 -5.60258 -10.2375 -2.69052 3.31578 -11.3956 2.57395 -34.1853 TIMING: 2553000 CPU: 8065.24, 0.00318793/step Wall: 8065.24, 0.00318793/step, 2.16691 hours remaining, 236.214844 MB of memory in use. ENERGY: 2553000 4025.9244 20534.0769 14377.3957 242.2485 -203680.3865 2730.0477 0.0000 0.0000 51903.6329 -109867.0603 298.2909 -161770.6932 -109498.2256 298.4198 -73.3985 -50.6845 762082.8617 -18.3158 -18.3695 PRESSURE: 2553200 61.4672 -241.183 -379.162 -241.183 128.074 -97.2744 -379.162 -97.2759 -23.8752 GPRESSURE: 2553200 40.9854 -140.378 -282.605 -192.144 177.937 -23.3986 -301.426 -40.5794 20.6577 PRESSAVG: 2553200 -41.3846 -15.5443 -71.5521 -15.5443 34.7295 -20.1974 -71.5522 -20.1974 -12.4047 GPRESSAVG: 2553200 -41.0944 -15.7896 -72.6458 -16.1542 34.7532 -19.4419 -70.8023 -22.2471 -13.2066 TIMING: 2553200 CPU: 8065.87, 0.00317054/step Wall: 8065.87, 0.00317054/step, 2.15491 hours remaining, 236.214844 MB of memory in use. ENERGY: 2553200 3949.2827 20457.5270 14426.8824 238.2073 -203623.4256 2773.3218 0.0000 0.0000 51882.5217 -109895.6827 298.1696 -161778.2044 -109534.1060 298.5724 55.2219 79.8600 760106.9392 -6.3533 -6.5159 PRESSURE: 2553400 5.01398 -5.99973 -17.9573 -5.99898 -91.1993 -419.743 -17.9577 -419.744 0.0659612 GPRESSURE: 2553400 111.598 28.3848 -11.7421 -37.3249 -84.5031 -459.616 47.3923 -207.407 -23.7926 PRESSAVG: 2553400 10.2713 10.1479 9.88961 10.1478 -3.19315 -22.6573 9.88964 -22.6572 -1.73376 GPRESSAVG: 2553400 10.5296 8.59687 9.6734 10.3725 -4.21858 -22.8826 10.2729 -23.6218 -1.53649 TIMING: 2553400 CPU: 8066.51, 0.00316375/step Wall: 8066.51, 0.00316375/step, 2.15012 hours remaining, 236.214844 MB of memory in use. ENERGY: 2553400 3970.3162 20369.0995 14458.2361 254.2545 -202948.5006 2329.5356 0.0000 0.0000 51862.0393 -109705.0194 298.0519 -161567.0587 -109343.2157 298.2436 -28.7064 1.1009 761006.0632 1.7815 1.5915 PRESSURE: 2553600 279.602 7.50713 -60.8 7.50663 -6.5138 -231.796 -60.7995 -231.796 10.3778 GPRESSURE: 2553600 229.722 41.6879 12.9125 83.5206 74.7167 -331.357 33.5692 -78.9057 77.5224 PRESSAVG: 2553600 -5.24386 -12.7326 -12.6707 -12.7326 29.2463 -74.2018 -12.6707 -74.2019 11.3655 GPRESSAVG: 2553600 -5.19248 -11.5785 -13.1412 -14.1509 29.1757 -73.4859 -10.4875 -72.3718 10.3196 TIMING: 2553600 CPU: 8067.14, 0.00315838/step Wall: 8067.14, 0.00315838/step, 2.1463 hours remaining, 236.214844 MB of memory in use. ENERGY: 2553600 4014.7539 20481.0756 14437.7942 231.4633 -203155.7342 2489.3506 0.0000 0.0000 51812.2928 -109689.0038 297.7660 -161501.2966 -109326.4787 298.5241 94.4886 127.3204 760627.6850 11.7893 11.4343 PRESSURE: 2553800 -228.425 145.717 92.3164 145.717 -28.2701 52.6919 92.3165 52.6926 -304.947 GPRESSURE: 2553800 -145.951 143.317 143.917 197.955 30.2823 24.0905 6.34085 44.3062 -345.81 PRESSAVG: 2553800 -24.6838 18.099 -10.9486 18.099 47.8602 -59.3354 -10.9486 -59.3354 -12.1984 GPRESSAVG: 2553800 -25.1442 18.074 -11.0367 18.9309 47.8076 -59.8755 -12.4217 -60.1076 -11.7149 TIMING: 2553800 CPU: 8067.77, 0.00314069/step Wall: 8067.77, 0.00314069/step, 2.1341 hours remaining, 236.214844 MB of memory in use. ENERGY: 2553800 4049.4603 20392.9542 14514.4188 260.9861 -203113.2653 2362.9319 0.0000 0.0000 52036.0127 -109496.5012 299.0517 -161532.5139 -109141.3372 298.8269 -187.2138 -153.8265 760946.3247 3.6593 3.6495 PRESSURE: 2554000 -104.855 105.985 163.723 105.985 -67.164 -55.3018 163.724 -55.3018 -279.573 GPRESSURE: 2554000 -172.452 -30.9089 134.72 104.336 50.1362 -71.3432 87.4325 -58.763 -245.775 PRESSAVG: 2554000 3.95055 -8.05555 -12.5909 -8.05551 21.9598 -5.37598 -12.591 -5.37607 8.99253 GPRESSAVG: 2554000 3.78059 -7.68367 -11.2835 -7.58712 22.6722 -6.67553 -13.4441 -3.68929 8.7539 TIMING: 2554000 CPU: 8068.4, 0.00314714/step Wall: 8068.4, 0.00314714/step, 2.13831 hours remaining, 236.269531 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: 2554000 4018.4254 20392.1563 14499.3506 259.5045 -203219.2966 2389.0417 0.0000 0.0000 51988.3328 -109672.4854 298.7777 -161660.8182 -109310.4320 298.5065 -150.5308 -122.6972 762055.0070 11.6343 11.7356 PRESSURE: 2554200 -433.093 -31.2483 8.11709 -31.2477 43.1144 -12.0975 8.11711 -12.0967 297.192 GPRESSURE: 2554200 -295.98 -33.9855 73.3247 -55.7182 87.262 -49.4145 32.9005 -51.9494 205.796 PRESSAVG: 2554200 -22.5361 -75.343 6.82744 -75.3431 52.2126 2.63297 6.82746 2.6329 6.06378 GPRESSAVG: 2554200 -23.6889 -74.696 6.83444 -76.6599 52.4935 2.86708 7.40542 0.472596 6.58696 TIMING: 2554200 CPU: 8069.03, 0.00315732/step Wall: 8069.03, 0.00315732/step, 2.14505 hours remaining, 236.269531 MB of memory in use. ENERGY: 2554200 4005.1235 20527.4259 14506.6572 240.4403 -202871.0692 2223.6420 0.0000 0.0000 51729.8189 -109637.9613 297.2920 -161367.7802 -109278.5091 298.7103 -30.9287 -0.9740 761756.4930 11.9134 11.7972 PRESSURE: 2554400 -159.462 -109.002 -161.684 -109.002 -271.762 -121.813 -161.684 -121.813 131.015 GPRESSURE: 2554400 -83.8898 17.6821 -92.9604 -72.7473 -257.825 -54.1763 -34.6854 -55.4941 128.405 PRESSAVG: 2554400 -83.4254 -51.3819 -45.1395 -51.3819 75.7258 -44.3198 -45.1396 -44.3197 7.27402 GPRESSAVG: 2554400 -81.9748 -52.9375 -47.5493 -49.8729 75.1752 -43.9836 -43.787 -44.154 6.66498 TIMING: 2554400 CPU: 8069.66, 0.00317897/step Wall: 8069.66, 0.00317897/step, 2.15958 hours remaining, 236.269531 MB of memory in use. ENERGY: 2554400 3996.4263 20540.1902 14454.0126 244.4480 -203261.2209 2475.8589 0.0000 0.0000 51991.9568 -109558.3280 298.7985 -161550.2848 -109204.5759 298.7378 -100.0696 -71.1033 762986.2232 -0.1419 -0.0449 PRESSURE: 2554600 -223.378 -157.19 -134.84 -157.19 304.722 -52.8335 -134.84 -52.8322 24.6473 GPRESSURE: 2554600 -169.405 -113.993 -60.612 -115.985 365.318 -94.7589 -139.834 -70.1554 13.174 PRESSAVG: 2554600 -42.0475 -43.6226 -44.4868 -43.6226 84.2934 -13.6696 -44.4867 -13.6696 -12.9514 GPRESSAVG: 2554600 -42.4851 -44.3957 -42.0341 -44.333 83.9163 -15.2149 -45.6396 -12.4741 -12.4572 TIMING: 2554600 CPU: 8070.3, 0.00316933/step Wall: 8070.3, 0.00316933/step, 2.15286 hours remaining, 236.269531 MB of memory in use. ENERGY: 2554600 3956.2935 20351.9654 14445.2300 238.8809 -203077.2544 2567.6974 0.0000 0.0000 51833.4716 -109683.7157 297.8877 -161517.1873 -109323.8843 298.7548 35.3304 69.6957 762044.8451 9.7648 9.6580 PRESSURE: 2554800 51.831 -72.2642 218.231 -72.2636 295.661 19.0234 218.231 19.0238 -33.9468 GPRESSURE: 2554800 162.357 -142.459 165.567 -95.3284 248.822 44.5318 133.337 -28.2011 -7.28396 PRESSAVG: 2554800 -9.96965 -48.9017 -50.8855 -48.9017 47.879 64.9935 -50.8855 64.9935 20.6282 GPRESSAVG: 2554800 -8.65673 -47.4376 -52.3465 -50.3044 47.5192 66.8669 -50.6133 64.0434 19.2903 TIMING: 2554800 CPU: 8070.93, 0.00315099/step Wall: 8070.93, 0.00315099/step, 2.14022 hours remaining, 236.269531 MB of memory in use. ENERGY: 2554800 3942.9200 20240.9546 14486.6912 244.5608 -203861.4871 2926.6471 0.0000 0.0000 51794.1514 -110225.5619 297.6617 -162019.7133 -109855.0183 297.8608 104.5152 134.6317 759716.7745 19.5125 19.3843 PRESSURE: 2555000 -74.6863 49.8027 99.994 49.8026 12.1884 85.607 99.9939 85.6078 -377.355 GPRESSURE: 2555000 -132.446 142.651 131.74 92.6206 103.098 144.087 22.6918 -34.8876 -304.419 PRESSAVG: 2555000 -50.8607 27.8548 -21.0622 27.8548 2.36994 13.4564 -21.0622 13.4564 21.1957 GPRESSAVG: 2555000 -52.7586 26.5063 -20.2698 30.6822 3.07639 10.6982 -21.642 14.3512 22.4726 TIMING: 2555000 CPU: 8071.56, 0.00315867/step Wall: 8071.56, 0.00315867/step, 2.14526 hours remaining, 236.269531 MB of memory in use. ENERGY: 2555000 3991.9670 20372.8935 14426.0641 259.4666 -202933.2333 2037.7247 0.0000 0.0000 51808.3605 -110036.7568 297.7434 -161845.1173 -109670.6623 297.1947 -146.6178 -111.2556 761555.0774 -9.0984 -9.0699 PRESSURE: 2555200 -218.883 -215.631 26.001 -215.631 -136.85 -123.306 26.0007 -123.306 -367.145 GPRESSURE: 2555200 -103.551 -79.3188 52.3187 -156.485 -121.275 -75.6522 6.26701 -96.1945 -400.089 PRESSAVG: 2555200 -15.5225 -9.89009 -12.6413 -9.89014 100.813 31.5505 -12.6413 31.5505 -2.49177 GPRESSAVG: 2555200 -14.036 -9.29628 -13.7203 -11.3333 101.122 34.4448 -10.2867 29.845 -4.62812 TIMING: 2555200 CPU: 8072.19, 0.00314893/step Wall: 8072.19, 0.00314893/step, 2.13847 hours remaining, 236.269531 MB of memory in use. ENERGY: 2555200 3917.5863 20335.8219 14437.8450 270.7182 -203451.4425 2583.3710 0.0000 0.0000 51733.6131 -110172.4871 297.3138 -161906.1002 -109813.2279 297.9333 -240.9595 -208.3050 761672.4752 27.5997 27.4860 PRESSURE: 2555400 -9.80418 288.268 -180.039 288.267 35.125 -203.289 -180.04 -203.288 -48.7806 GPRESSURE: 2555400 36.4816 214.099 -161.799 243.804 74.7317 -176.55 -185.36 -224.387 -49.0473 PRESSAVG: 2555400 -42.0874 -20.9617 -27.3894 -20.9618 59.5872 -51.2654 -27.3894 -51.2655 -1.90444 GPRESSAVG: 2555400 -41.5788 -19.4532 -26.6537 -21.5151 57.638 -52.2435 -28.2271 -49.6693 -0.488734 TIMING: 2555400 CPU: 8072.82, 0.00314362/step Wall: 8072.82, 0.00314362/step, 2.13469 hours remaining, 236.269531 MB of memory in use. ENERGY: 2555400 3922.7394 20215.8628 14466.2310 236.8611 -203370.4660 2678.4319 0.0000 0.0000 51704.3357 -110146.0041 297.1455 -161850.3398 -109784.7347 297.5821 -7.8199 20.7220 763346.1938 5.1984 5.1902 PRESSURE: 2555600 151.758 126.43 110.216 126.43 76.4976 213.213 110.216 213.212 150.15 GPRESSURE: 2555600 131.006 179.44 81.4275 170.6 249.959 219.155 36.0424 115.649 84.7095 PRESSAVG: 2555600 -55.2222 38.0108 -23.37 38.0108 56.5492 15.8046 -23.37 15.8047 19.7375 GPRESSAVG: 2555600 -55.2187 36.819 -25.1754 39.2984 58.3222 16.3685 -23.3851 15.7369 18.4177 TIMING: 2555600 CPU: 8073.45, 0.00315386/step Wall: 8073.45, 0.00315386/step, 2.14147 hours remaining, 236.269531 MB of memory in use. ENERGY: 2555600 3873.8892 20473.5347 14420.5816 259.7433 -203703.3581 2950.2535 0.0000 0.0000 51722.4597 -110002.8962 297.2497 -161725.3558 -109642.8371 297.7694 126.1353 155.2246 762209.6298 7.0215 7.1737 PRESSURE: 2555800 143.428 126.066 7.42497 126.066 -64.8345 58.5566 7.42494 58.5577 281.779 GPRESSURE: 2555800 159.397 106.459 26.3925 146.7 45.8872 69.4044 -7.31142 -111.585 243.359 PRESSAVG: 2555800 -50.539 7.32289 -6.71351 7.32289 60.7606 11.0752 -6.71346 11.0752 -11.1915 GPRESSAVG: 2555800 -50.6188 5.95716 -3.88463 5.74501 59.9298 11.0016 -7.05659 8.76832 -10.5882 TIMING: 2555800 CPU: 8074.08, 0.00314691/step Wall: 8074.08, 0.0031469/step, 2.13657 hours remaining, 236.269531 MB of memory in use. ENERGY: 2555800 3853.7948 20370.3587 14415.0850 258.3976 -204084.8614 2753.4859 0.0000 0.0000 52049.2161 -110384.5233 299.1276 -162433.7394 -110017.9130 297.6942 120.1241 149.5476 759929.5771 -0.3233 -0.4257 PRESSURE: 2556000 -615.075 197.854 174.866 197.854 -152.94 192.732 174.866 192.732 -222.147 GPRESSURE: 2556000 -489.117 183.904 146.686 148.66 -160.111 208.131 207.217 162.371 -254.819 PRESSAVG: 2556000 -93.5227 -10.8259 7.57064 -10.8258 92.4411 3.70248 7.5707 3.70245 15.8597 GPRESSAVG: 2556000 -94.7709 -9.80912 5.79033 -10.5485 92.8445 2.40449 8.67046 4.69877 16.7187 TIMING: 2556000 CPU: 8074.71, 0.00315148/step Wall: 8074.71, 0.00315148/step, 2.1395 hours remaining, 236.269531 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: 2556000 3916.3094 20289.2741 14520.5302 253.7740 -203456.5503 2373.5886 0.0000 0.0000 51799.3518 -110303.7222 297.6916 -162103.0740 -109935.6307 297.5191 -330.0541 -301.3492 763397.1681 4.9260 4.9308 PRESSURE: 2556200 -26.7938 214.098 107.767 214.097 -191.692 -2.15222 107.766 -2.15249 4.46661 GPRESSURE: 2556200 5.47219 30.1391 96.4831 174.753 -100.138 -31.2549 80.9414 11.0115 -30.0175 PRESSAVG: 2556200 -18.5102 -4.50415 -26.1412 -4.50413 -14.6697 22.3443 -26.1412 22.3442 15.3745 GPRESSAVG: 2556200 -18.3449 -3.48227 -25.5168 -5.75843 -16.6801 23.1943 -28.2022 22.5272 16.7149 TIMING: 2556200 CPU: 8075.34, 0.00313866/step Wall: 8075.34, 0.00313866/step, 2.13063 hours remaining, 236.269531 MB of memory in use. ENERGY: 2556200 3981.2572 20343.8205 14518.1080 241.1907 -203640.3950 2686.1471 0.0000 0.0000 51894.7694 -109975.1021 298.2400 -161869.8715 -109622.8254 297.4081 -71.3396 -41.5612 760435.0804 -5.9351 -6.1034 LDB: ============= START OF LOAD BALANCING ============== 8087.87 LDB: ============== END OF LOAD BALANCING =============== 8087.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8087.87 LDB: ============= START OF LOAD BALANCING ============== 8088.18 LDB: Largest compute 7031 load 0.030648 is 15.7% of average load 0.195591 LDB: Average compute 0.004358 is 2.2% of average load 0.195591 LDB: TIME 8088.19 LOAD: AVG 0.195591 MAX 0.21361 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.453 MB LDB: TIME 8088.19 LOAD: AVG 0.195591 MAX 0.21361 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: TIME 8088.19 LOAD: AVG 0.195591 MAX 0.21361 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: ============== END OF LOAD BALANCING =============== 8088.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8088.2 PRESSURE: 2556400 56.591 29.8959 43.1534 29.8955 227.676 170.981 43.1537 170.981 212.742 GPRESSURE: 2556400 123.325 -90.8388 19.8091 -56.7659 258.474 124.171 160.858 70.1066 206.004 PRESSAVG: 2556400 3.45959 8.75957 -21.9509 8.7596 13.8029 -26.3635 -21.9508 -26.3635 -34.5665 GPRESSAVG: 2556400 2.90911 7.3292 -23.0657 11.0789 15.6804 -26.8873 -19.7396 -25.043 -35.8022 TIMING: 2556400 CPU: 8075.98, 0.00321899/step Wall: 8075.98, 0.00321899/step, 2.18498 hours remaining, 234.824219 MB of memory in use. ENERGY: 2556400 3846.7388 20351.5552 14378.7941 219.2996 -203559.0460 2800.5950 0.0000 0.0000 51812.9618 -110149.1015 297.7698 -161962.0633 -109794.8181 297.5118 165.6696 195.9344 762442.0970 -5.7680 -5.7375 PRESSURE: 2556600 108.656 -3.90122 -87.6789 -3.90167 229.095 35.2165 -87.6796 35.2158 504.588 GPRESSURE: 2556600 81.3192 -18.6699 -148.301 80.5733 334.606 -18.2148 -67.5076 108.473 518.317 PRESSAVG: 2556600 -48.6912 -29.5252 -26.5944 -29.5252 36.5449 -13.5788 -26.5944 -13.5789 -24.206 GPRESSAVG: 2556600 -48.9273 -28.9202 -25.6726 -30.3143 37.0691 -14.0248 -26.6083 -14.7075 -24.8149 TIMING: 2556600 CPU: 8076.61, 0.00315217/step Wall: 8076.61, 0.00315217/step, 2.13945 hours remaining, 234.824219 MB of memory in use. ENERGY: 2556600 3926.7734 20472.0647 14389.2524 256.3937 -203906.9900 2844.0573 0.0000 0.0000 51904.7768 -110113.6718 298.2975 -162018.4486 -109762.5654 297.7207 280.7798 311.4141 761193.6825 -12.1174 -12.2244 PRESSURE: 2556800 -149.281 87.0012 3.85712 87.0012 -83.4154 -63.6073 3.85687 -63.6071 -88.8999 GPRESSURE: 2556800 -68.8002 106.525 28.065 0.637357 -71.5904 -98.4666 -109.668 -132.77 -99.8216 PRESSAVG: 2556800 -57.9701 -47.5031 25.962 -47.5031 13.4389 10.0826 25.9621 10.0827 -4.91629 GPRESSAVG: 2556800 -57.5701 -46.9527 25.8077 -45.8337 11.9921 10.3176 24.5878 9.63856 -4.15961 TIMING: 2556800 CPU: 8077.24, 0.00314827/step Wall: 8077.24, 0.00314827/step, 2.13662 hours remaining, 234.824219 MB of memory in use. ENERGY: 2556800 4016.9673 20295.4883 14460.5019 253.0169 -203191.1113 2397.7029 0.0000 0.0000 51693.0261 -110074.4079 297.0805 -161767.4340 -109711.1116 297.5933 -107.1987 -80.0707 761336.6136 -16.4825 -16.5792 PRESSURE: 2557000 78.2823 160.956 14.6304 160.957 -294.405 -38.1435 14.6304 -38.1446 -508.14 GPRESSURE: 2557000 6.16462 -42.7572 107.265 129.871 -203.032 -47.8129 107.823 -155.546 -414.528 PRESSAVG: 2557000 -47.8709 -54.6157 2.73508 -54.6158 23.227 -19.0528 2.73512 -19.0528 6.37981 GPRESSAVG: 2557000 -46.8078 -54.6969 3.28539 -57.3228 22.8416 -19.1062 2.20164 -18.7186 6.38029 TIMING: 2557000 CPU: 8077.87, 0.00316796/step Wall: 8077.87, 0.00316796/step, 2.14981 hours remaining, 234.824219 MB of memory in use. ENERGY: 2557000 3948.5723 20473.5096 14467.3353 258.1516 -202923.1678 2445.4870 0.0000 0.0000 51634.1758 -109695.9362 296.7423 -161330.1120 -109349.4147 297.7070 -241.4210 -203.7986 763134.7558 -6.0880 -5.8620 PRESSURE: 2557200 -369.93 -66.6988 8.04836 -66.6983 -242.732 -189.647 8.04868 -189.647 -343.625 GPRESSURE: 2557200 -288.248 -118.745 -49.2779 71.0509 -278.739 -59.4303 112.848 -240.629 -306.626 PRESSAVG: 2557200 -17.7901 -26.2835 3.17124 -26.2836 67.4959 13.8783 3.17118 13.8782 -1.74632 GPRESSAVG: 2557200 -18.0219 -28.0396 2.79365 -23.7631 66.4968 16.0314 4.08141 12.1636 -1.09173 TIMING: 2557200 CPU: 8078.5, 0.00314381/step Wall: 8078.5, 0.00314381/step, 2.13325 hours remaining, 234.824219 MB of memory in use. ENERGY: 2557200 4005.0761 20417.6891 14541.7135 234.7423 -203529.7703 2692.4424 0.0000 0.0000 51880.9973 -109757.1097 298.1608 -161638.1069 -109398.3971 298.3401 -318.7624 -291.2042 762942.6159 15.9865 15.7944 PRESSURE: 2557400 18.0808 81.052 -143.632 81.0522 117.57 190.987 -143.632 190.986 547.624 GPRESSURE: 2557400 33.3358 71.0169 -157.88 40.1487 177.354 197.372 -158.315 214.451 569.269 PRESSAVG: 2557400 -31.1982 -6.60016 1.19157 -6.60007 19.2588 -8.9109 1.1915 -8.91086 11.7845 GPRESSAVG: 2557400 -31.7643 -3.99775 1.44045 -7.52415 20.5489 -10.9463 0.214992 -5.94391 10.9898 TIMING: 2557400 CPU: 8079.13, 0.00314268/step Wall: 8079.13, 0.00314268/step, 2.13231 hours remaining, 234.824219 MB of memory in use. ENERGY: 2557400 3932.5113 20382.9402 14519.3429 256.2259 -203406.5050 2508.8628 0.0000 0.0000 52060.2004 -109746.4214 299.1907 -161806.6218 -109378.9125 298.0707 227.7583 259.9862 760898.6287 -0.0516 -0.0752 PRESSURE: 2557600 -293.213 -100.887 110.917 -100.887 -372.495 26.3044 110.917 26.3033 -299.38 GPRESSURE: 2557600 -257.615 -79.782 110.284 -148.86 -360.012 -15.9365 26.452 -0.709086 -276.874 PRESSAVG: 2557600 -3.27373 -27.5094 47.1104 -27.5094 54.5772 1.87932 47.1105 1.87929 27.5797 GPRESSAVG: 2557600 -4.0165 -29.1992 46.348 -28.707 54.6766 3.56536 47.5071 0.911823 28.4691 TIMING: 2557600 CPU: 8079.76, 0.00316206/step Wall: 8079.76, 0.00316206/step, 2.14528 hours remaining, 234.824219 MB of memory in use. ENERGY: 2557600 3967.8051 20389.5398 14476.2154 240.8774 -203455.0721 2535.5180 0.0000 0.0000 52188.5365 -109656.5799 299.9282 -161845.1164 -109294.6913 298.1731 -321.6957 -298.1669 762862.5534 26.2944 26.3764 PRESSURE: 2557800 293.968 -92.8458 -26.2607 -92.846 104.974 107.839 -26.2604 107.839 374.486 GPRESSURE: 2557800 302.712 -181.56 -55.4489 -86.7057 165.758 43.3696 43.3503 123.622 375.621 PRESSAVG: 2557800 -96.1664 5.28942 45.1356 5.28936 73.8317 4.35498 45.1356 4.35494 -38.3277 GPRESSAVG: 2557800 -95.4071 4.89422 45.5098 5.40315 73.9215 2.69633 46.2849 4.14424 -38.6676 TIMING: 2557800 CPU: 8080.39, 0.00315405/step Wall: 8080.39, 0.00315405/step, 2.13967 hours remaining, 234.824219 MB of memory in use. ENERGY: 2557800 3966.5560 20505.5431 14439.1889 240.8767 -203571.0383 2894.8363 0.0000 0.0000 51978.2749 -109545.7624 298.7199 -161524.0373 -109177.2535 298.6982 257.8089 281.3635 761539.6598 -20.2208 -20.0510 PRESSURE: 2558000 59.8438 54.3892 172.433 54.3895 40.2365 49.0264 172.433 49.0272 -62.895 GPRESSURE: 2558000 90.4368 196.881 130.259 71.2468 73.7563 65.1085 138.623 110.399 -42.3144 PRESSAVG: 2558000 -42.9399 12.5606 -38.2437 12.5606 -18.0455 10.4402 -38.2437 10.4402 7.96385 GPRESSAVG: 2558000 -42.9234 13.2607 -38.2167 12.3346 -18.3061 10.822 -39.5476 10.1872 7.99119 TIMING: 2558000 CPU: 8081.02, 0.00315709/step Wall: 8081.02, 0.00315709/step, 2.14156 hours remaining, 234.824219 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: 2558000 4014.8997 20710.6863 14455.0302 241.5666 -203977.8014 3048.3973 0.0000 0.0000 51912.6429 -109594.5784 298.3427 -161507.2213 -109229.0770 298.6905 12.3951 40.6263 761245.8189 -17.6739 -17.7461 PRESSURE: 2558200 -232.3 -73.8085 72.4753 -73.8086 -10.1478 -250.037 72.4748 -250.038 -346.296 GPRESSURE: 2558200 -227.995 -128.453 46.6619 34.533 12.6165 -201.322 95.9922 -220.813 -275.987 PRESSAVG: 2558200 -25.6031 -1.56318 1.32648 -1.56319 24.6444 19.4449 1.32648 19.4448 -27.5965 GPRESSAVG: 2558200 -24.815 -1.31717 2.20958 -0.695734 24.5863 20.0709 0.525729 20.1504 -28.0103 TIMING: 2558200 CPU: 8081.66, 0.00315559/step Wall: 8081.66, 0.00315559/step, 2.14037 hours remaining, 234.824219 MB of memory in use. ENERGY: 2558200 3958.5240 20485.8580 14419.3261 246.4578 -203205.9189 2480.1119 0.0000 0.0000 51906.5509 -109709.0901 298.3077 -161615.6410 -109351.3515 299.1531 -196.2482 -163.7887 761816.0468 -9.5184 -9.4130 PRESSURE: 2558400 -84.6043 -259.401 -442.629 -259.401 148.552 -24.9815 -442.629 -24.9805 129.786 GPRESSURE: 2558400 -38.6909 -244.011 -466.086 -241.139 237.601 25.954 -442.751 -118.845 79.5618 PRESSAVG: 2558400 -12.7355 -24.1721 9.34555 -24.1721 -21.1853 24.1088 9.34559 24.1089 -1.86898 GPRESSAVG: 2558400 -14.3884 -22.4368 8.58541 -23.3393 -19.3426 22.3151 11.4978 23.8357 -2.0667 TIMING: 2558400 CPU: 8082.29, 0.00314758/step Wall: 8082.29, 0.00314758/step, 2.13476 hours remaining, 234.824219 MB of memory in use. ENERGY: 2558400 4054.4297 20465.0361 14391.4457 252.0467 -203290.7686 2829.2593 0.0000 0.0000 51633.2394 -109665.3117 296.7369 -161298.5511 -109308.3561 298.3789 64.5781 92.8239 762390.4420 -11.9299 -11.9326 PRESSURE: 2558600 -427.035 -71.0021 40.2257 -71.0023 -48.4928 73.86 40.2247 73.8608 -195.348 GPRESSURE: 2558600 -380.937 34.4301 146.156 -19.993 -46.6889 123.165 90.0145 196.996 -162.685 PRESSAVG: 2558600 -32.9371 -7.84674 -30.5479 -7.8467 20.44 38.3671 -30.5479 38.3671 -12.8995 GPRESSAVG: 2558600 -32.1006 -8.72749 -31.0969 -8.48212 18.6177 41.4825 -29.9523 39.162 -11.7003 TIMING: 2558600 CPU: 8082.91, 0.00314882/step Wall: 8082.91, 0.00314882/step, 2.13542 hours remaining, 234.824219 MB of memory in use. ENERGY: 2558600 3961.4873 20525.3400 14476.3399 247.6821 -203287.5313 2657.1385 0.0000 0.0000 51888.1482 -109531.3953 298.2019 -161419.5435 -109164.8261 298.7125 -223.6252 -196.7705 762624.4205 -8.4655 -8.3944 PRESSURE: 2558800 222.974 -205.236 32.4311 -205.236 -203.879 102.35 32.4313 102.35 226.369 GPRESSURE: 2558800 243.875 -163.031 -15.2622 -149.688 -115.35 136.685 45.7786 150.144 226.429 PRESSAVG: 2558800 25.4226 -24.2618 18.1013 -24.2618 8.04894 0.348705 18.1013 0.348691 8.36054 GPRESSAVG: 2558800 24.9192 -24.547 18.8132 -23.5046 9.52742 -1.13267 16.3729 -0.325926 7.41788 TIMING: 2558800 CPU: 8083.54, 0.00313384/step Wall: 8083.54, 0.00313384/step, 2.12509 hours remaining, 234.824219 MB of memory in use. ENERGY: 2558800 4036.8053 20567.4172 14517.0323 240.0041 -203461.0758 2784.9501 0.0000 0.0000 51816.6157 -109498.2510 297.7908 -161314.8668 -109138.2028 299.2182 81.8211 118.3181 762261.2535 13.9440 13.9548 PRESSURE: 2559000 466.558 -22.3751 170.093 -22.3744 223.33 63.3926 170.093 63.3928 9.80568 GPRESSURE: 2559000 464.043 -2.17671 196.486 -62.6548 323.311 126.256 135.591 114.068 5.24573 PRESSAVG: 2559000 -39.8545 16.1473 25.2102 16.1473 51.7282 12.0588 25.2102 12.0588 16.5459 GPRESSAVG: 2559000 -40.5845 16.3483 25.9971 15.1356 51.9346 11.9542 23.8915 11.7683 16.6924 TIMING: 2559000 CPU: 8084.17, 0.00315467/step Wall: 8084.17, 0.00315467/step, 2.13904 hours remaining, 234.824219 MB of memory in use. ENERGY: 2559000 3887.8889 20340.1872 14443.1197 231.0480 -203156.7456 2681.2331 0.0000 0.0000 52024.0058 -109549.2628 298.9827 -161573.2686 -109188.9970 298.3625 233.2312 264.1997 763056.1622 9.4732 9.3475 PRESSURE: 2559200 -181.659 -109.102 0.807891 -109.102 -58.0847 220.611 0.808123 220.611 -96.6369 GPRESSURE: 2559200 -120.661 -86.234 -25.2189 -104.294 -41.39 230.529 -51.1685 133.343 -88.3777 PRESSAVG: 2559200 37.8061 26.8175 -1.29967 26.8176 -19.3346 25.3544 -1.29964 25.3544 31.7286 GPRESSAVG: 2559200 39.0767 26.2253 -2.83194 28.4229 -20.6978 25.2278 -0.414634 26.1939 31.6863 TIMING: 2559200 CPU: 8084.8, 0.00313596/step Wall: 8084.8, 0.00313596/step, 2.12618 hours remaining, 234.824219 MB of memory in use. ENERGY: 2559200 3986.7909 20512.9345 14514.1071 258.3540 -203542.0416 2544.6471 0.0000 0.0000 52138.0192 -109587.1888 299.6379 -161725.2080 -109228.8446 298.5761 -112.1268 -83.4761 762521.9143 16.7334 16.6884 PRESSURE: 2559400 -63.4533 -90.0086 -20.0152 -90.0095 251.451 54.4708 -20.0153 54.4713 419.04 GPRESSURE: 2559400 -56.4654 -237.116 47.4406 -91.3921 286.196 77.046 -146.792 72.6921 457.119 PRESSAVG: 2559400 -17.9941 -23.63 65.9465 -23.63 10.9454 23.3476 65.9465 23.3476 25.4336 GPRESSAVG: 2559400 -18.3417 -25.6155 68.3344 -25.2679 12.2487 24.9987 65.2916 20.1946 24.6837 TIMING: 2559400 CPU: 8085.43, 0.00312996/step Wall: 8085.43, 0.00312996/step, 2.12194 hours remaining, 234.824219 MB of memory in use. ENERGY: 2559400 3907.8390 20601.2454 14469.4458 264.9102 -203200.5749 2704.0044 0.0000 0.0000 51682.6307 -109570.4993 297.0208 -161253.1300 -109205.2275 298.6957 202.3457 228.9498 762718.7779 6.1283 6.1969 PRESSURE: 2559600 -107.813 -356.511 23.6418 -356.511 -28.6676 72.756 23.6406 72.7555 66.9862 GPRESSURE: 2559600 -108.738 -167.023 6.80349 -359.976 -31.7753 57.9454 98.1203 29.3967 146.848 PRESSAVG: 2559600 2.33243 -50.2042 15.1126 -50.2041 32.5523 -29.8676 15.1127 -29.8676 -0.348888 GPRESSAVG: 2559600 0.47615 -47.1059 13.3013 -51.0957 31.2526 -31.2692 16.4947 -27.1013 2.2513 TIMING: 2559600 CPU: 8086.05, 0.00313431/step Wall: 8086.05, 0.00313431/step, 2.12472 hours remaining, 234.824219 MB of memory in use. ENERGY: 2559600 3931.9946 20469.7328 14458.2826 242.9171 -203402.0315 2719.2142 0.0000 0.0000 52063.0879 -109516.8023 299.2073 -161579.8903 -109157.9000 298.7603 -23.1648 2.1114 762232.6818 11.5120 11.3267 PRESSURE: 2559800 -61.9707 -60.6604 13.4765 -60.6603 -65.2322 103.032 13.4768 103.031 -229.759 GPRESSURE: 2559800 -27.5134 -127.277 -1.33502 -30.8102 -82.4505 139.592 -22.1697 82.2371 -170.784 PRESSAVG: 2559800 4.01835 -36.6 -19.8396 -36.5999 -30.7496 7.94082 -19.8396 7.94081 -13.4462 GPRESSAVG: 2559800 5.10938 -37.9387 -18.9345 -34.3665 -30.5951 7.7742 -17.607 6.71771 -14.6398 TIMING: 2559800 CPU: 8086.68, 0.00313398/step Wall: 8086.68, 0.00313398/step, 2.12432 hours remaining, 234.824219 MB of memory in use. ENERGY: 2559800 3974.2860 20577.0398 14425.0685 253.4152 -203003.6874 2336.5439 0.0000 0.0000 51921.2737 -109516.0603 298.3923 -161437.3340 -109152.2261 298.6701 -118.9872 -93.5827 762075.3860 -13.3925 -13.3752 PRESSURE: 2560000 -2.0726 -87.0357 97.3598 -87.0365 -207.152 98.6446 97.3602 98.6442 -300.21 GPRESSURE: 2560000 -42.3026 -81.2194 50.0994 -184.66 -100.067 94.4426 99.2811 86.0275 -267.812 PRESSAVG: 2560000 -2.86984 -16.5509 20.1551 -16.5509 -14.4382 54.2982 20.1551 54.2982 3.3279 GPRESSAVG: 2560000 -1.7059 -16.4581 20.3727 -17.6565 -15.3302 53.7511 18.7819 56.8176 2.89276 TIMING: 2560000 CPU: 8087.3, 0.00312304/step Wall: 8087.3, 0.00312304/step, 2.11673 hours remaining, 234.824219 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: 2560000 4051.8359 20538.3703 14382.0224 258.8740 -203326.3927 2741.0353 0.0000 0.0000 51844.7453 -109509.5095 297.9525 -161354.2548 -109164.8276 299.1482 -169.8114 -136.7273 763220.1475 -4.6601 -4.7144 PRESSURE: 2560200 244.781 138.05 -138.907 138.05 168.418 174.842 -138.907 174.841 439.983 GPRESSURE: 2560200 222.161 278.852 -126.037 166.003 190.537 122.06 -132.013 194.366 534.774 PRESSAVG: 2560200 7.43067 -9.59701 12.188 -9.59702 44.8686 4.93834 12.188 4.9385 15.8575 GPRESSAVG: 2560200 7.43372 -8.45753 12.7776 -11.2627 46.2742 5.85962 12.7104 2.50374 14.8258 TIMING: 2560200 CPU: 8087.93, 0.00314532/step Wall: 8087.93, 0.00314532/step, 2.13165 hours remaining, 234.824219 MB of memory in use. ENERGY: 2560200 3901.0375 20421.8788 14474.5778 251.1891 -203779.5844 2984.4275 0.0000 0.0000 52055.5873 -109690.8862 299.1642 -161746.4736 -109325.4954 298.9008 284.3940 315.8240 759759.9174 22.7189 22.8446 LDB: ============= START OF LOAD BALANCING ============== 8100.46 LDB: ============== END OF LOAD BALANCING =============== 8100.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8100.47 LDB: ============= START OF LOAD BALANCING ============== 8100.78 LDB: Largest compute 7049 load 0.028851 is 14.8% of average load 0.195584 LDB: Average compute 0.004387 is 2.2% of average load 0.195584 LDB: TIME 8100.78 LOAD: AVG 0.195584 MAX 0.212626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.703 MB LDB: TIME 8100.78 LOAD: AVG 0.195584 MAX 0.212626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.703 MB LDB: TIME 8100.78 LOAD: AVG 0.195584 MAX 0.212626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.703 MB LDB: ============== END OF LOAD BALANCING =============== 8100.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8100.79 PRESSURE: 2560400 -234.362 79.8728 -106.154 79.8733 85.5106 201.971 -106.153 201.971 0.289543 GPRESSURE: 2560400 -193.417 76.2014 -77.4501 121.714 30.6937 216.77 -32.9757 198.27 83.4858 PRESSAVG: 2560400 25.011 -41.3385 -14.5305 -41.3385 8.11894 49.9344 -14.5305 49.9345 -0.957546 GPRESSAVG: 2560400 24.8263 -41.8332 -13.4821 -40.3425 7.78495 48.7409 -15.1568 51.3828 -0.216365 TIMING: 2560400 CPU: 8088.58, 0.00321036/step Wall: 8088.58, 0.00321036/step, 2.17555 hours remaining, 234.363281 MB of memory in use. ENERGY: 2560400 3978.3036 20439.0999 14500.6025 258.3013 -203366.2096 2652.0607 0.0000 0.0000 51798.0056 -109739.8360 297.6839 -161537.8417 -109370.8089 298.8653 -49.5206 -26.4124 761978.6241 10.7241 10.7983 PRESSURE: 2560600 -169.686 -92.2474 -56.1447 -92.2474 -451.547 62.6249 -56.1445 62.6251 -157.22 GPRESSURE: 2560600 -96.1043 -85.8611 -6.57793 -68.0674 -498.625 47.2278 -187.704 21.1563 -109.87 PRESSAVG: 2560600 23.4059 -22.5108 -26.0161 -22.5108 -44.5208 7.99268 -26.016 7.99276 13.1301 GPRESSAVG: 2560600 21.7044 -23.7979 -28.1726 -22.7735 -44.7766 8.42998 -26.1603 6.65834 14.1577 TIMING: 2560600 CPU: 8089.2, 0.00313751/step Wall: 8089.2, 0.00313751/step, 2.12601 hours remaining, 234.363281 MB of memory in use. ENERGY: 2560600 3946.3442 20500.2038 14507.5946 250.0380 -202914.4992 2269.5319 0.0000 0.0000 51810.2950 -109630.4915 297.7545 -161440.7865 -109272.0160 298.2464 -259.4843 -234.8662 763548.9361 -2.6616 -2.9715 PRESSURE: 2560800 203.054 55.0608 -170.465 55.06 154.742 -35.4309 -170.465 -35.4306 469.577 GPRESSURE: 2560800 319.357 62.0578 -195.077 130.144 133.822 -30.586 -20.7664 -62.5002 458.232 PRESSAVG: 2560800 20.0477 -35.4775 -12.3745 -35.4775 -57.7271 9.40057 -12.3745 9.40043 -25.5601 GPRESSAVG: 2560800 20.5536 -36.3324 -12.1698 -34.6002 -57.9419 9.65374 -11.6859 10.4934 -25.7514 TIMING: 2560800 CPU: 8089.83, 0.00313903/step Wall: 8089.83, 0.00313903/step, 2.12686 hours remaining, 234.363281 MB of memory in use. ENERGY: 2560800 3984.7692 20677.0493 14373.9296 236.5832 -203936.5571 3123.5620 0.0000 0.0000 52017.1714 -109523.4924 298.9434 -161540.6638 -109174.4896 298.5510 275.7911 303.8036 762008.8054 -21.0799 -21.0466 PRESSURE: 2561000 29.3504 -23.0918 38.7506 -23.0919 -52.9561 29.7444 38.7509 29.7455 36.2509 GPRESSURE: 2561000 20.3696 47.1895 59.5794 -60.616 9.95806 71.0615 -60.0952 -16.4054 72.6409 PRESSAVG: 2561000 36.8733 -24.2403 -21.9851 -24.2402 -45.31 8.09585 -21.9851 8.09582 8.08256 GPRESSAVG: 2561000 37.221 -24.2562 -20.3254 -26.132 -44.804 6.71742 -24.1386 6.70043 7.59467 TIMING: 2561000 CPU: 8090.46, 0.00314049/step Wall: 8090.46, 0.00314049/step, 2.12769 hours remaining, 234.363281 MB of memory in use. ENERGY: 2561000 3972.0584 20489.5794 14406.2557 238.0753 -203533.7277 2735.6190 0.0000 0.0000 51988.3940 -109703.7460 298.7780 -161692.1400 -109349.7300 298.6478 4.2151 34.3229 762615.4715 -0.1180 0.0039 PRESSURE: 2561200 4.06018 -28.6741 -73.2898 -28.6743 -165.602 90.7024 -73.2903 90.7013 370.226 GPRESSURE: 2561200 -29.8264 -59.8134 -47.2604 -20.7327 -69.4479 144.246 -13.8819 25.4484 397.797 PRESSAVG: 2561200 -7.0774 -33.3193 31.6072 -33.3193 -9.56025 -12.7355 31.6073 -12.7356 6.87553 GPRESSAVG: 2561200 -7.19834 -33.4961 31.7137 -32.8462 -9.55995 -12.8414 31.3113 -12.0731 6.8751 TIMING: 2561200 CPU: 8091.09, 0.00313887/step Wall: 8091.09, 0.00313887/step, 2.12641 hours remaining, 234.363281 MB of memory in use. ENERGY: 2561200 3923.9029 20527.8595 14552.1852 238.1814 -203067.2892 2568.0263 0.0000 0.0000 51991.6469 -109265.4870 298.7967 -161257.1339 -108913.5991 298.7633 69.5615 99.5075 760316.6320 -3.2540 -3.2944 PRESSURE: 2561400 138.592 304.333 -65.3655 304.333 -78.5561 20.904 -65.3645 20.9047 -189.048 GPRESSURE: 2561400 191.539 281.678 -58.2193 254.358 -42.2127 90.4719 -176.282 -12.4535 -180.01 PRESSAVG: 2561400 8.76507 -16.9435 -63.9217 -16.9436 17.8778 -1.14668 -63.9217 -1.14671 5.61715 GPRESSAVG: 2561400 9.16439 -17.8528 -64.9321 -16.7599 18.4235 -0.000922705 -62.0193 0.208063 4.53519 TIMING: 2561400 CPU: 8091.72, 0.00315403/step Wall: 8091.72, 0.00315403/step, 2.13651 hours remaining, 234.363281 MB of memory in use. ENERGY: 2561400 4011.5656 20402.5263 14497.1875 229.7432 -203098.1255 2634.4787 0.0000 0.0000 52177.5753 -109145.0489 299.8652 -161322.6242 -108771.2520 299.8278 -43.0041 -10.2277 760651.7221 10.7533 10.7077 PRESSURE: 2561600 -207.406 94.1628 4.87998 94.1628 -140.771 -104.368 4.88074 -104.37 -213.357 GPRESSURE: 2561600 -220.457 73.7773 12.9481 99.7739 -150.531 -155.306 14.6721 -20.9952 -109.295 PRESSAVG: 2561600 14.4404 -50.3805 17.5424 -50.3806 -21.0336 30.3077 17.5424 30.3077 -7.28548 GPRESSAVG: 2561600 13.5178 -48.2076 17.1901 -51.4697 -21.6374 28.9946 16.4178 28.6411 -6.62646 TIMING: 2561600 CPU: 8092.35, 0.00315886/step Wall: 8092.35, 0.00315886/step, 2.1396 hours remaining, 234.363281 MB of memory in use. ENERGY: 2561600 3937.1877 20617.0927 14486.8473 236.7191 -202848.3413 2291.4384 0.0000 0.0000 52215.0292 -109064.0269 300.0805 -161279.0561 -108705.0945 299.5280 -187.1780 -160.0942 760227.7065 -4.6262 -4.9154 PRESSURE: 2561800 -285.335 -2.59596 -12.1032 -2.59543 129.342 88.1991 -12.103 88.2003 187.967 GPRESSURE: 2561800 -293.555 3.0399 86.0641 -26.4167 211.818 54.1112 -41.338 82.3745 210.215 PRESSAVG: 2561800 12.2096 -45.1254 21.7954 -45.1254 36.4743 -1.48924 21.7953 -1.48918 0.718334 GPRESSAVG: 2561800 14.5641 -45.5837 23.015 -42.666 35.6219 0.170227 23.3082 2.05432 -0.962623 TIMING: 2561800 CPU: 8092.98, 0.00313709/step Wall: 8092.98, 0.00313709/step, 2.12468 hours remaining, 234.363281 MB of memory in use. ENERGY: 2561800 3957.6771 20472.3463 14457.7698 254.3994 -202981.7698 2535.7753 0.0000 0.0000 52049.9404 -109253.8615 299.1317 -161303.8019 -108890.4012 299.8116 10.6579 42.8259 761445.8764 16.4674 16.4078 PRESSURE: 2562000 -204.237 -323.319 30.5324 -323.318 -517.492 7.36919 30.5324 7.36816 31.6851 GPRESSURE: 2562000 -186.65 -169.246 13.5093 -227.314 -387.845 29.9993 154.938 -118.306 -40.55 PRESSAVG: 2562000 -37.8446 -23.7428 14.2359 -23.7427 -4.41804 -72.3764 14.2358 -72.3765 -16.372 GPRESSAVG: 2562000 -39.6404 -23.5338 14.1853 -23.8134 -3.30198 -73.1301 15.9814 -76.391 -15.0524 TIMING: 2562000 CPU: 8093.6, 0.00313657/step Wall: 8093.6, 0.00313657/step, 2.12416 hours remaining, 234.363281 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: 2562000 4097.0611 20352.3973 14404.4122 256.6875 -202676.4220 2297.1753 0.0000 0.0000 52027.0912 -109241.5974 299.0004 -161268.6886 -108878.9111 299.1494 -230.0148 -205.0149 760501.8679 -19.5449 -19.3316 PRESSURE: 2562200 -281.939 -77.4234 203.281 -77.4219 -292.554 96.2201 203.28 96.2213 370.466 GPRESSURE: 2562200 -225.652 -311.321 141.604 -127.93 -239.285 28.5201 154.871 141.378 336.999 PRESSAVG: 2562200 -5.82556 -66.7006 -13.6702 -66.7006 9.75175 7.24854 -13.6702 7.24844 -2.85708 GPRESSAVG: 2562200 -5.82169 -67.5499 -13.6146 -67.3229 9.55598 9.30969 -15.0196 7.45708 -3.07969 TIMING: 2562200 CPU: 8094.23, 0.00314106/step Wall: 8094.23, 0.00314106/step, 2.12702 hours remaining, 234.363281 MB of memory in use. ENERGY: 2562200 4019.8973 20546.4938 14447.4017 244.8063 -203546.5248 2910.9781 0.0000 0.0000 52234.9628 -109141.9848 300.1950 -161376.9476 -108784.0023 299.5876 -68.0092 -42.6459 760659.3658 0.3564 0.2182 PRESSURE: 2562400 203.198 -119.237 146.265 -119.238 -118.628 158.827 146.265 158.827 -148.966 GPRESSURE: 2562400 95.4587 -124.521 143.11 -49.518 -14.8896 203.827 141.881 32.4107 -62.1102 PRESSAVG: 2562400 -24.9203 -32.6288 -1.72503 -32.6288 26.6271 35.0668 -1.7251 35.0667 8.80592 GPRESSAVG: 2562400 -25.7818 -32.2536 0.0794987 -32.8579 26.4784 33.1116 -2.7338 36.435 9.56829 TIMING: 2562400 CPU: 8094.86, 0.00313719/step Wall: 8094.86, 0.00313719/step, 2.12423 hours remaining, 234.363281 MB of memory in use. ENERGY: 2562400 4054.3850 20596.3909 14441.7380 267.0027 -203157.6872 2566.4170 0.0000 0.0000 51935.1890 -109296.5646 298.4722 -161231.7536 -108941.9606 299.2700 -21.4652 6.1530 760616.9896 3.5042 3.4216 PRESSURE: 2562600 -342.803 -6.37937 178.06 -6.37974 -48.6818 114.308 178.06 114.308 -121.356 GPRESSURE: 2562600 -205.764 -124.564 194.176 79.4363 -60.1051 137.995 208.404 47.9292 -161.643 PRESSAVG: 2562600 -8.54112 -49.5222 -19.0686 -49.5223 27.0535 114.016 -19.0685 114.016 8.09169 GPRESSAVG: 2562600 -7.62708 -50.1215 -18.9907 -49.5437 26.4474 116.326 -20.6719 110.13 7.55679 TIMING: 2562600 CPU: 8095.49, 0.00312943/step Wall: 8095.49, 0.00312943/step, 2.1188 hours remaining, 234.363281 MB of memory in use. ENERGY: 2562600 4016.7428 20481.8453 14461.4792 235.4556 -203317.4528 2637.7912 0.0000 0.0000 52309.9510 -109174.1875 300.6260 -161484.1386 -108809.9862 299.4321 -170.9470 -142.5038 758614.3435 8.8680 8.7924 PRESSURE: 2562800 -28.6205 -57.1334 280.578 -57.133 138.392 -54.9509 280.578 -54.9498 12.4013 GPRESSURE: 2562800 -74.0988 -89.2955 369.17 68.9322 266.451 -21.1353 207.008 -31.1367 16.1508 PRESSAVG: 2562800 10.4552 -65.4033 -13.1723 -65.4033 11.7861 -48.5394 -13.1724 -48.5394 26.044 GPRESSAVG: 2562800 9.84826 -66.8695 -13.3485 -64.2187 12.8623 -51.0345 -12.9694 -45.7014 25.5172 TIMING: 2562800 CPU: 8096.11, 0.00312986/step Wall: 8096.11, 0.00312986/step, 2.11892 hours remaining, 234.363281 MB of memory in use. ENERGY: 2562800 3922.8190 20592.5531 14493.0383 234.7370 -203174.1112 2521.1690 0.0000 0.0000 52065.9942 -109343.8007 299.2240 -161409.7949 -108979.5618 299.2800 40.7243 69.5010 760504.8971 16.0951 16.0759 PRESSURE: 2563000 -331.122 -101.226 -161.087 -101.225 -150.316 -165.672 -161.086 -165.673 -256.16 GPRESSURE: 2563000 -215.612 -42.3762 -146.486 -11.2425 -209.398 -179.267 -152.656 -156.051 -233.508 PRESSAVG: 2563000 13.1852 -45.006 16.254 -45.0059 16.2641 0.423496 16.254 0.423489 8.16646 GPRESSAVG: 2563000 13.6983 -42.3701 13.4571 -44.1946 15.8624 -0.383053 17.3737 2.00569 8.20536 TIMING: 2563000 CPU: 8096.74, 0.00313912/step Wall: 8096.74, 0.00313912/step, 2.12501 hours remaining, 234.363281 MB of memory in use. ENERGY: 2563000 3931.8856 20601.5212 14437.7943 259.0781 -203159.1247 2558.2619 0.0000 0.0000 52017.8171 -109352.7666 298.9471 -161370.5837 -108992.4250 299.2696 -245.8658 -219.5061 760866.6451 12.5386 12.5887 PRESSURE: 2563200 -103.946 7.50383 14.3881 7.50433 108.442 86.3159 14.3881 86.3148 -33.4606 GPRESSURE: 2563200 -60.3349 60.2937 63.3488 -63.9013 125.456 41.3629 -51.1821 124.948 -10.7132 PRESSAVG: 2563200 -4.95655 -43.8436 15.0837 -43.8435 58.7609 41.3623 15.0838 41.3623 27.0461 GPRESSAVG: 2563200 -5.32275 -45.3577 16.9264 -46.5031 58.749 43.6571 13.7465 39.9627 27.8649 TIMING: 2563200 CPU: 8097.37, 0.00313561/step Wall: 8097.37, 0.00313561/step, 2.12246 hours remaining, 234.363281 MB of memory in use. ENERGY: 2563200 4008.8434 20691.6960 14425.0868 259.1174 -203373.8289 2530.5586 0.0000 0.0000 52063.1313 -109395.3953 299.2075 -161458.5266 -109042.1768 299.3714 -9.6550 18.1361 760331.1249 26.9502 27.0970 PRESSURE: 2563400 -52.5768 78.836 -165.246 78.8358 -19.2259 -227.066 -165.245 -227.066 104.388 GPRESSURE: 2563400 -0.509691 42.5351 -155.504 84.9049 -19.9766 -167.133 -228.003 -166.431 128.577 PRESSAVG: 2563400 -54.9091 -11.7754 14.5448 -11.7754 30.3587 21.7511 14.5448 21.7511 20.1863 GPRESSAVG: 2563400 -54.2465 -9.6627 13.7874 -12.6853 29.5184 22.6757 15.1848 22.5054 20.3792 TIMING: 2563400 CPU: 8098, 0.00315263/step Wall: 8098, 0.00315263/step, 2.13381 hours remaining, 234.363281 MB of memory in use. ENERGY: 2563400 3970.9004 20422.1461 14517.0433 261.1107 -203508.5089 2682.7089 0.0000 0.0000 52398.2556 -109256.3439 301.1335 -161654.5995 -108892.2290 299.5916 10.8617 36.0303 762134.2319 -1.4547 -1.4496 PRESSURE: 2563600 117.305 -23.3881 64.4583 -23.3886 -210.31 147.101 64.459 147.1 147.9 GPRESSURE: 2563600 155.825 -16.4741 110.195 -15.7731 -123.784 234.274 110.549 95.6732 86.4434 PRESSAVG: 2563600 49.866 -46.0163 4.28919 -46.0163 -25.6644 54.5326 4.28916 54.5326 5.68039 GPRESSAVG: 2563600 50.0742 -48.3242 4.14268 -41.8623 -24.0377 54.0835 6.7586 52.8429 3.94291 TIMING: 2563600 CPU: 8098.63, 0.00314428/step Wall: 8098.63, 0.00314428/step, 2.12798 hours remaining, 234.363281 MB of memory in use. ENERGY: 2563600 3939.8130 20381.1458 14447.5496 237.2817 -203455.6736 2467.3081 0.0000 0.0000 52113.1769 -109869.3984 299.4951 -161982.5752 -109505.0642 299.0108 18.2986 39.4947 761029.2564 9.9607 9.9932 PRESSURE: 2563800 90.0037 215.195 14.9651 215.194 61.952 204.847 14.9643 204.846 -380.918 GPRESSURE: 2563800 113.815 223.372 22.1937 178.444 147.079 198.773 4.83909 168.934 -437.045 PRESSAVG: 2563800 31.6735 -31.0218 12.7594 -31.0218 -22.2097 16.9967 12.7593 16.9967 -4.29795 GPRESSAVG: 2563800 30.5461 -28.3341 13.6236 -32.7438 -22.6617 16.6824 10.8717 16.9017 -2.66012 TIMING: 2563800 CPU: 8099.25, 0.00313737/step Wall: 8099.25, 0.00313737/step, 2.12313 hours remaining, 234.363281 MB of memory in use. ENERGY: 2563800 3934.0754 20385.8431 14373.3122 246.1614 -203505.3428 2810.7314 0.0000 0.0000 52108.8853 -109646.3340 299.4705 -161755.2193 -109281.1554 298.5086 -76.3209 -58.7172 760755.1148 1.7219 1.7414 PRESSURE: 2564000 59.643 -115.151 -46.3788 -115.151 -471.413 -222.98 -46.3792 -222.98 -233.817 GPRESSURE: 2564000 -12.2969 71.101 -69.2186 -172.092 -426.631 -340.659 -59.5845 -160.21 -114.584 PRESSAVG: 2564000 74.4467 -80.8569 -12.2035 -80.857 -57.3728 -8.44435 -12.2035 -8.44436 6.34198 GPRESSAVG: 2564000 74.6775 -81.5051 -11.4978 -81.0676 -56.4032 -10.1214 -12.9386 -6.17964 5.44492 TIMING: 2564000 CPU: 8099.88, 0.00315055/step Wall: 8099.88, 0.00315055/step, 2.13187 hours remaining, 234.363281 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: 2564000 4042.1618 20481.3357 14436.9020 244.2048 -203208.0975 2662.7913 0.0000 0.0000 52058.2211 -109282.4808 299.1793 -161340.7019 -108923.1625 298.9069 -215.1959 -184.5037 761643.0182 7.8053 7.9064 PRESSURE: 2564200 96.9005 -69.0334 -43.5469 -69.034 -70.4597 9.84869 -43.5466 9.84949 -294.675 GPRESSURE: 2564200 137.69 -163.103 -59.3574 -54.3811 -52.984 0.632425 71.195 -25.4707 -258.908 PRESSAVG: 2564200 11.0451 3.3606 19.4723 3.36067 -66.1487 -50.8672 19.4723 -50.8672 -21.0377 GPRESSAVG: 2564200 11.848 3.45765 17.9565 1.51233 -67.5743 -50.0027 21.5802 -53.4548 -20.436 TIMING: 2564200 CPU: 8100.51, 0.00313092/step Wall: 8100.51, 0.00313092/step, 2.11842 hours remaining, 234.363281 MB of memory in use. ENERGY: 2564200 4056.3312 20357.6647 14476.8435 254.2838 -203276.3219 2761.8943 0.0000 0.0000 52101.6612 -109267.6432 299.4290 -161369.3044 -108906.1044 299.2958 -89.4113 -58.0675 760602.3935 -25.3804 -25.3875 LDB: ============= START OF LOAD BALANCING ============== 8113.04 LDB: ============== END OF LOAD BALANCING =============== 8113.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8113.04 LDB: ============= START OF LOAD BALANCING ============== 8113.36 LDB: Largest compute 7030 load 0.029761 is 15.2% of average load 0.195593 LDB: Average compute 0.004383 is 2.2% of average load 0.195593 LDB: TIME 8113.36 LOAD: AVG 0.195593 MAX 0.213516 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.387 MB LDB: TIME 8113.36 LOAD: AVG 0.195593 MAX 0.213516 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: TIME 8113.36 LOAD: AVG 0.195593 MAX 0.213516 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: ============== END OF LOAD BALANCING =============== 8113.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8113.37 PRESSURE: 2564400 265.202 103.785 69.4109 103.785 181.437 216.073 69.4115 216.074 416.821 GPRESSURE: 2564400 254.835 83.9558 86.6541 18.5589 296.199 302.991 96.1924 125.408 374.185 PRESSAVG: 2564400 44.0239 -8.89746 -0.0838973 -8.89751 -26.805 14.5731 -0.0839615 14.5732 3.94957 GPRESSAVG: 2564400 43.3128 -9.46182 1.02176 -6.57672 -26.4307 15.2915 -2.54158 14.897 3.28789 TIMING: 2564400 CPU: 8101.15, 0.00321684/step Wall: 8101.15, 0.00321684/step, 2.17637 hours remaining, 236.156250 MB of memory in use. ENERGY: 2564400 4047.2738 20470.5358 14416.8875 268.0162 -203294.8245 2610.2819 0.0000 0.0000 52055.0786 -109426.7507 299.1613 -161481.8293 -109059.9163 299.5974 287.8204 308.4062 761313.1759 7.0561 6.7233 PRESSURE: 2564600 227.636 -178.563 -38.1159 -178.564 -263.742 26.2532 -38.1158 26.2539 -73.7816 GPRESSURE: 2564600 328.607 6.48455 -50.6013 -199.48 -255.366 -7.26602 48.4215 127.15 -101 PRESSAVG: 2564600 47.6136 27.4894 -26.5398 27.4895 -33.0394 19.5573 -26.5398 19.5573 -0.228366 GPRESSAVG: 2564600 47.7046 27.8555 -28.5143 27.1866 -32.4803 18.0733 -22.6843 18.7943 -0.577004 TIMING: 2564600 CPU: 8101.78, 0.00315141/step Wall: 8101.78, 0.00315141/step, 2.13193 hours remaining, 236.156250 MB of memory in use. ENERGY: 2564600 4003.7400 20501.0753 14432.9455 250.8877 -203501.6087 2763.3883 0.0000 0.0000 52053.3905 -109496.1814 299.1516 -161549.5719 -109127.2375 298.9861 -36.6290 -9.2529 759588.7201 4.7819 4.8824 PRESSURE: 2564800 40.2505 -121.84 91.935 -121.84 24.4124 -157.872 91.935 -157.873 123.71 GPRESSURE: 2564800 21.3742 -130.862 -15.328 -87.3708 71.599 -83.0859 172.003 -132.416 173.399 PRESSAVG: 2564800 42.5173 -19.0123 -9.39668 -19.0123 -29.4827 -12.5549 -9.39665 -12.5548 9.13341 GPRESSAVG: 2564800 43.0167 -19.5853 -10.0441 -20.8947 -30.9666 -12.3574 -9.75197 -11.1114 10.1921 TIMING: 2564800 CPU: 8102.41, 0.0031307/step Wall: 8102.41, 0.0031307/step, 2.11775 hours remaining, 236.156250 MB of memory in use. ENERGY: 2564800 3943.1480 20415.5537 14498.0257 246.0106 -203607.1078 2846.3191 0.0000 0.0000 52067.4082 -109590.6426 299.2321 -161658.0508 -109232.5537 299.1250 62.7909 88.7908 761423.5395 7.3893 7.4141 PRESSURE: 2565000 -23.6122 86.2562 -81.3345 86.256 19.898 -38.9084 -81.3348 -38.908 233.208 GPRESSURE: 2565000 41.9266 56.3564 -36.6023 -5.47658 45.915 -211.022 -76.9306 206.416 227.48 PRESSAVG: 2565000 53.7336 -20.3184 -22.9913 -20.3184 -33.3587 -36.1395 -22.9912 -36.1396 -9.84269 GPRESSAVG: 2565000 53.6182 -20.5325 -21.8863 -19.0528 -31.956 -35.694 -25.8792 -36.6864 -10.3916 TIMING: 2565000 CPU: 8103.04, 0.00316017/step Wall: 8103.04, 0.00316017/step, 2.13751 hours remaining, 236.156250 MB of memory in use. ENERGY: 2565000 4020.2565 20507.6368 14464.0526 252.7264 -203262.0271 2658.9217 0.0000 0.0000 51853.2493 -109505.1837 298.0013 -161358.4330 -109144.5679 298.7496 76.4979 105.1072 760773.5353 3.5107 3.7569 PRESSURE: 2565200 -104.035 -45.4131 -70.5334 -45.4132 179.634 246.153 -70.5333 246.153 92.3272 GPRESSURE: 2565200 -157.082 -36.3138 -161.537 -51.557 185.767 256.558 -57.1499 292.165 205.025 PRESSAVG: 2565200 -0.117626 -35.9624 -2.256 -35.9624 28.3398 23.6929 -2.256 23.6929 25.5322 GPRESSAVG: 2565200 -0.0710305 -34.8831 -3.01543 -34.7997 27.5425 22.5471 -1.59551 25.182 26.3274 TIMING: 2565200 CPU: 8103.67, 0.00316261/step Wall: 8103.67, 0.00316261/step, 2.13898 hours remaining, 236.156250 MB of memory in use. ENERGY: 2565200 4001.8568 20562.3934 14460.3810 246.3111 -203642.0250 2741.9938 0.0000 0.0000 51953.5189 -109675.5700 298.5776 -161629.0890 -109314.0010 298.6156 55.9754 77.9032 761034.8372 17.9181 17.9330 PRESSURE: 2565400 -27.0028 -129.269 137.639 -129.269 -184.947 -87.9769 137.639 -87.9771 -101.33 GPRESSURE: 2565400 -43.3259 -70.968 157.947 -18.2103 -138.871 -114.589 145.65 -43.2209 -63.7167 PRESSAVG: 2565400 25.9448 -17.9408 10.7647 -17.9407 8.42714 -4.12615 10.7647 -4.12613 -0.103963 GPRESSAVG: 2565400 24.9732 -19.6775 10.6758 -17.5926 10.1631 -4.33829 11.1802 -5.89636 -1.1569 TIMING: 2565400 CPU: 8104.3, 0.00314795/step Wall: 8104.3, 0.00314795/step, 2.12889 hours remaining, 236.156250 MB of memory in use. ENERGY: 2565400 3952.4107 20556.5611 14412.1612 247.2789 -203464.0813 2567.0469 0.0000 0.0000 52095.4637 -109633.1587 299.3933 -161728.6224 -109273.5819 299.3517 -104.4266 -81.9713 761640.3876 11.4227 11.3265 PRESSURE: 2565600 -88.8422 2.75928 -11.5462 2.75873 24.7662 -78.2836 -11.5462 -78.2834 -384.477 GPRESSURE: 2565600 -21.905 -79.6894 19.8841 35.1169 34.1197 -178.954 49.0163 153.533 -377.224 PRESSAVG: 2565600 42.6359 -10.7633 38.8716 -10.7633 -90.3074 5.34107 38.8716 5.34111 -14.9823 GPRESSAVG: 2565600 43.6832 -9.80748 39.8025 -12.0261 -90.566 5.18863 38.898 6.34278 -15.1334 TIMING: 2565600 CPU: 8104.93, 0.00313189/step Wall: 8104.93, 0.00313189/step, 2.11786 hours remaining, 236.156250 MB of memory in use. ENERGY: 2565600 4070.4170 20434.8194 14487.9031 248.3911 -203119.4928 2202.5379 0.0000 0.0000 51789.8979 -109885.5264 297.6373 -161675.4243 -109527.3395 298.9182 -149.5176 -121.6699 760305.1531 -20.8846 -20.6721 PRESSURE: 2565800 240.494 176.815 -124.817 176.815 265.253 -330.512 -124.816 -330.512 324.69 GPRESSURE: 2565800 262.284 167.236 -31.2923 134.409 287.147 -346.138 -41.4271 -143.983 347.648 PRESSAVG: 2565800 65.4279 22.4669 23.1718 22.4669 18.4754 34.3266 23.1719 34.3267 4.67221 GPRESSAVG: 2565800 66.3104 23.9629 23.3356 20.3194 17.4207 36.0415 22.4558 32.2734 4.65452 TIMING: 2565800 CPU: 8105.56, 0.00314568/step Wall: 8105.56, 0.00314568/step, 2.127 hours remaining, 236.156250 MB of memory in use. ENERGY: 2565800 3922.6521 20609.5532 14491.2481 227.6312 -203813.4077 2726.7729 0.0000 0.0000 52105.0726 -109730.4775 299.4486 -161835.5501 -109372.0698 298.5264 276.8124 299.0263 760218.3568 29.5252 29.4619 PRESSURE: 2566000 100.717 50.0492 -7.64816 50.0489 129.775 123.999 -7.64872 123.998 232.215 GPRESSURE: 2566000 98.6038 75.2876 -23.6735 0.322185 195.382 195.723 32.375 68.7328 253.724 PRESSAVG: 2566000 1.49107 -20.8766 -23.4077 -20.8766 7.67668 -7.65107 -23.4077 -7.65108 11.4257 GPRESSAVG: 2566000 0.0142075 -22.4998 -22.5747 -19.5875 8.30889 -8.25406 -24.3601 -5.5408 12.0418 TIMING: 2566000 CPU: 8106.19, 0.00314845/step Wall: 8106.19, 0.00314845/step, 2.1287 hours remaining, 236.156250 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: 2566000 4037.4301 20549.6753 14498.6482 260.3111 -203687.8896 2558.0630 0.0000 0.0000 52021.9545 -109761.8073 298.9709 -161783.7618 -109406.2637 298.6745 154.2359 182.5701 762057.1858 6.8645 6.7883 PRESSURE: 2566200 14.2375 140.173 19.3083 140.173 46.8919 -26.6683 19.3078 -26.6675 -436.516 GPRESSURE: 2566200 216.411 83.2907 -16.6617 220.702 -130.996 -84.6332 2.33776 44.37 -384.753 PRESSAVG: 2566200 5.44438 -38.57 17.9274 -38.57 -13.4995 -13.9277 17.9273 -13.9277 -6.54061 GPRESSAVG: 2566200 6.7748 -36.9399 16.373 -39.3748 -13.8724 -14.7187 21.1972 -14.1726 -7.35796 TIMING: 2566200 CPU: 8106.82, 0.00316292/step Wall: 8106.82, 0.00316292/step, 2.13831 hours remaining, 236.156250 MB of memory in use. ENERGY: 2566200 4009.1555 20655.7733 14472.8938 246.0757 -203824.1798 2753.4362 0.0000 0.0000 51847.6200 -109839.2253 297.9690 -161686.8452 -109483.8575 298.5974 -125.1287 -99.7795 762612.4858 -4.8653 -4.8185 PRESSURE: 2566400 150.092 -20.5624 -61.856 -20.5622 -41.0013 -275.808 -61.8554 -275.809 -101.826 GPRESSURE: 2566400 100.858 -91.5946 -56.3606 3.24443 34.2508 -192.308 -31.2421 -376.446 -47.0479 PRESSAVG: 2566400 -13.3945 -6.0612 2.06864 -6.06124 29.1744 -26.8539 2.06868 -26.854 18.0114 GPRESSAVG: 2566400 -14.555 -5.24663 2.17458 -4.03788 29.6851 -25.7428 1.20953 -29.1018 19.0966 TIMING: 2566400 CPU: 8107.45, 0.00315757/step Wall: 8107.45, 0.00315757/step, 2.13452 hours remaining, 236.156250 MB of memory in use. ENERGY: 2566400 4012.8116 20675.3303 14503.3995 261.7172 -203428.4909 2275.3578 0.0000 0.0000 51911.1627 -109788.7119 298.3342 -161699.8746 -109437.6106 298.6799 2.4214 29.3536 759969.0398 11.2638 11.4089 PRESSURE: 2566600 57.2735 98.9434 48.8278 98.9431 -243.728 118.605 48.8267 118.605 -148.546 GPRESSURE: 2566600 56.4963 63.9979 76.9608 1.31055 -182.438 115.095 135.746 183.188 -113.916 PRESSAVG: 2566600 -19.3388 -13.1039 33.3877 -13.104 18.6611 52.8394 33.3877 52.8394 -0.710118 GPRESSAVG: 2566600 -18.9106 -14.479 33.6266 -14.7026 18.8798 52.2876 32.5521 55.132 -1.20692 TIMING: 2566600 CPU: 8108.08, 0.00313214/step Wall: 8108.08, 0.00313214/step, 2.11716 hours remaining, 236.156250 MB of memory in use. ENERGY: 2566600 4017.0889 20680.8912 14515.5998 250.0057 -203444.5723 2355.3212 0.0000 0.0000 51953.6346 -109672.0308 298.5783 -161625.6654 -109330.4709 298.7711 -111.6671 -79.9527 760373.2680 -0.4626 -0.4126 PRESSURE: 2566800 -536.625 -77.9852 14.8075 -77.9852 172.271 -97.6281 14.807 -97.6296 -100.721 GPRESSURE: 2566800 -361.094 -112.804 -64.594 0.950956 222.094 -123.364 -30.6538 -116.089 -230.165 PRESSAVG: 2566800 15.3798 -29.8829 23.9457 -29.8828 6.81938 2.71941 23.9457 2.71943 -9.75254 GPRESSAVG: 2566800 16.397 -28.7162 22.1013 -28.6485 5.90264 3.12971 25.3935 1.99241 -9.94394 TIMING: 2566800 CPU: 8108.71, 0.0031421/step Wall: 8108.71, 0.0031421/step, 2.12371 hours remaining, 236.156250 MB of memory in use. ENERGY: 2566800 4045.2475 20500.5113 14459.3396 246.2186 -203585.6417 2719.4561 0.0000 0.0000 52206.3505 -109408.5182 300.0306 -161614.8686 -109038.9502 298.9749 -155.0250 -123.0551 760941.9092 4.1489 4.1186 PRESSURE: 2567000 -41.912 139.237 109.107 139.237 236.091 -203.805 109.107 -203.804 -28.1715 GPRESSURE: 2567000 85.7264 28.6477 63.5957 222.681 205.348 -177.592 5.98495 -85.9619 -35.6896 PRESSAVG: 2567000 -40.0696 4.44798 0.0315081 4.44794 2.71509 -41.8084 0.0315466 -41.8084 -22.056 GPRESSAVG: 2567000 -41.0941 3.63851 2.29215 2.80517 3.70311 -41.1294 -2.8631 -41.0025 -21.8978 TIMING: 2567000 CPU: 8109.34, 0.00315095/step Wall: 8109.34, 0.00315095/step, 2.12952 hours remaining, 236.156250 MB of memory in use. ENERGY: 2567000 3976.6285 20436.1663 14503.7249 261.9711 -203518.8463 2786.6542 0.0000 0.0000 52261.0046 -109292.6968 300.3447 -161553.7014 -108927.8924 299.3104 55.3359 85.1282 762013.9990 -19.8035 -19.7629 PRESSURE: 2567200 16.7845 -70.7419 -326.539 -70.7415 -235.49 269.968 -326.54 269.968 33.1709 GPRESSURE: 2567200 -7.03355 11.1818 -255.28 -66.4722 -122.917 250.152 -348.569 205.516 15.5347 PRESSAVG: 2567200 -28.633 -32.1976 -23.3202 -32.1975 62.5774 -22.7198 -23.3203 -22.7198 -36.9282 GPRESSAVG: 2567200 -27.7927 -32.1866 -22.6406 -32.1347 62.1103 -23.9335 -22.6082 -23.2362 -37.1545 TIMING: 2567200 CPU: 8109.97, 0.00314649/step Wall: 8109.97, 0.00314649/step, 2.12633 hours remaining, 236.156250 MB of memory in use. ENERGY: 2567200 4008.2672 20636.9560 14461.5211 257.6518 -203494.1896 2741.7881 0.0000 0.0000 51998.3286 -109389.6767 298.8351 -161388.0053 -109029.4251 299.2686 -61.8448 -38.1387 760963.3525 -0.9946 -0.9456 PRESSURE: 2567400 289.337 23.8147 -199.148 23.8152 272.846 -26.8613 -199.148 -26.8611 47.6496 GPRESSURE: 2567400 337.888 -37.5793 -119.211 17.2703 256.489 22.9634 -355.124 123 101.716 PRESSAVG: 2567400 -10.6198 75.5563 1.44946 75.5563 47.7414 10.8786 1.44944 10.8785 7.10214 GPRESSAVG: 2567400 -11.2621 74.2759 0.718395 77.7031 47.7053 11.9774 1.57339 12.3574 7.58743 TIMING: 2567400 CPU: 8110.6, 0.00316313/step Wall: 8110.6, 0.00316313/step, 2.1374 hours remaining, 236.156250 MB of memory in use. ENERGY: 2567400 4010.4765 20633.9592 14407.6628 241.4884 -203619.5043 2843.1390 0.0000 0.0000 52191.4180 -109291.3605 299.9448 -161482.7784 -108934.8475 299.5940 203.2777 232.0312 761113.1625 14.7413 14.6769 PRESSURE: 2567600 17.8339 -44.9306 -82.2533 -44.9309 18.0486 30.699 -82.253 30.6987 -2.21984 GPRESSURE: 2567600 41.9211 -46.261 -59.6508 142.073 42.3948 56.675 -60.4587 -89.2935 31.8255 PRESSAVG: 2567600 -16.933 14.9578 9.33229 14.9578 27.2424 -18.6007 9.33229 -18.6007 -16.1572 GPRESSAVG: 2567600 -15.2545 16.6945 8.44702 14.3218 26.0957 -18.5094 11.8653 -21.0215 -16.2179 TIMING: 2567600 CPU: 8111.23, 0.00313883/step Wall: 8111.23, 0.00313883/step, 2.12081 hours remaining, 236.156250 MB of memory in use. ENERGY: 2567600 3986.8365 20456.7159 14488.9622 248.9076 -203639.8516 2819.0400 0.0000 0.0000 52031.3053 -109608.0841 299.0246 -161639.3894 -109246.7792 299.6861 11.2209 38.7138 761936.7882 -1.9493 -1.7923 PRESSURE: 2567800 282.265 -175.276 68.6293 -175.276 -5.91017 251.635 68.6291 251.635 82.5443 GPRESSURE: 2567800 329.262 -172.007 95.8296 -149.425 -2.35059 244.9 28.1737 264.398 130.051 PRESSAVG: 2567800 -10.7482 13.7673 19.2015 13.7673 32.1686 24.1835 19.2015 24.1835 7.58864 GPRESSAVG: 2567800 -11.415 13.3703 19.3491 12.8218 32.7585 23.008 19.5028 24.9162 7.77317 TIMING: 2567800 CPU: 8111.86, 0.00316153/step Wall: 8111.86, 0.00316153/step, 2.13597 hours remaining, 236.156250 MB of memory in use. ENERGY: 2567800 3981.4657 20475.3668 14341.0083 245.8703 -203256.9969 2437.5679 0.0000 0.0000 52270.0886 -109505.6294 300.3969 -161775.7180 -109137.8991 298.8936 119.6330 152.3206 761597.2954 9.6697 9.7055 PRESSURE: 2568000 -178.406 101.021 -94.9513 101.022 0.153844 -165.786 -94.9508 -165.786 41.1396 GPRESSURE: 2568000 -110.812 82.5174 -83.4667 37.0604 7.58612 -136.863 -98.885 -74.906 49.1379 PRESSAVG: 2568000 -61.1185 -4.23959 -19.0596 -4.23962 59.9244 9.95521 -19.0596 9.95521 -7.31824 GPRESSAVG: 2568000 -63.1552 -6.2865 -19.7381 -2.33715 61.3604 10.3133 -22.1288 11.1222 -6.781 TIMING: 2568000 CPU: 8112.49, 0.00315648/step Wall: 8112.49, 0.00315648/step, 2.13238 hours remaining, 236.156250 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: 2568000 4008.3822 20768.8819 14440.5527 228.3073 -203855.0738 2713.0868 0.0000 0.0000 52119.4785 -109576.3844 299.5314 -161695.8630 -109208.2578 299.2805 -45.7041 -18.0294 760573.9759 -2.8374 -2.8586 PRESSURE: 2568200 273.553 19.7837 -193.539 19.784 61.4947 -195.026 -193.538 -195.027 57.2926 GPRESSURE: 2568200 256.076 43.3846 -79.6089 41.5848 154.166 -163.991 -198.082 -257.892 50.2811 PRESSAVG: 2568200 -19.8642 41.2312 14.8021 41.2312 -12.6788 -5.20823 14.8021 -5.20829 3.10052 GPRESSAVG: 2568200 -18.9728 43.6476 16.3657 38.8081 -12.6242 -6.90314 15.9189 -4.99551 2.46158 TIMING: 2568200 CPU: 8113.12, 0.00313122/step Wall: 8113.12, 0.00313122/step, 2.11514 hours remaining, 236.156250 MB of memory in use. ENERGY: 2568200 4009.9263 20617.5754 14481.2115 240.2296 -203330.0010 2630.9734 0.0000 0.0000 51973.1899 -109376.8950 298.6906 -161350.0848 -109006.8151 299.2118 130.7801 153.5080 760760.2466 -9.8141 -9.7118 LDB: ============= START OF LOAD BALANCING ============== 8125.65 LDB: ============== END OF LOAD BALANCING =============== 8125.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8125.65 LDB: ============= START OF LOAD BALANCING ============== 8125.96 LDB: Largest compute 7054 load 0.030267 is 15.5% of average load 0.195404 LDB: Average compute 0.004390 is 2.2% of average load 0.195404 LDB: TIME 8125.97 LOAD: AVG 0.195404 MAX 0.215282 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.09 MB LDB: TIME 8125.97 LOAD: AVG 0.195404 MAX 0.215282 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.09 MB LDB: TIME 8125.97 LOAD: AVG 0.195404 MAX 0.215282 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.09 MB LDB: ============== END OF LOAD BALANCING =============== 8125.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8125.98 PRESSURE: 2568400 1.15025 -130.933 43.5086 -130.933 1.67708 76.5498 43.5095 76.5503 -191.421 GPRESSURE: 2568400 87.2408 -9.79931 142.633 -154.046 -41.8639 138.193 26.3385 4.73703 -147.908 PRESSAVG: 2568400 -18.3413 -9.74428 -23.786 -9.74424 19.1678 26.2558 -23.786 26.2558 -2.1596 GPRESSAVG: 2568400 -17.6373 -8.83016 -25.6229 -7.48625 18.7452 26.444 -23.8232 24.4282 -2.66155 TIMING: 2568400 CPU: 8113.76, 0.00320845/step Wall: 8113.76, 0.00320845/step, 2.16713 hours remaining, 235.117188 MB of memory in use. ENERGY: 2568400 4036.6196 20611.6337 14440.1022 226.4953 -203853.6068 2885.3262 0.0000 0.0000 52289.3355 -109364.0944 300.5075 -161653.4299 -108986.0288 299.5877 -62.8645 -34.1770 760322.2564 -0.4444 -0.5179 PRESSURE: 2568600 -200.274 -60.0691 -94.9358 -60.0683 35.251 -42.9586 -94.9357 -42.958 -330.789 GPRESSURE: 2568600 -113.64 -32.8215 -108.962 -96.7758 49.0189 -2.08996 -21.7572 -9.72527 -328.608 PRESSAVG: 2568600 -32.636 -37.4442 -35.8376 -37.4441 20.9015 -22.6455 -35.8376 -22.6456 13.8029 GPRESSAVG: 2568600 -32.9138 -38.4288 -35.7173 -39.9769 20.9891 -20.0104 -36.3501 -23.3347 13.7445 TIMING: 2568600 CPU: 8114.39, 0.00313117/step Wall: 8114.39, 0.00313117/step, 2.11476 hours remaining, 235.132812 MB of memory in use. ENERGY: 2568600 4086.8325 20496.4166 14490.9312 253.1256 -203774.7401 3057.7078 0.0000 0.0000 52281.1522 -109108.5742 300.4605 -161389.7264 -108742.2522 299.7530 -165.2707 -131.0765 762569.6080 0.6895 0.6066 PRESSURE: 2568800 -312.026 -16.4859 185.362 -16.4862 -63.624 -122.88 185.361 -122.88 -120.473 GPRESSURE: 2568800 -376.452 -47.9737 158.226 -7.69143 23.874 -199.919 200.095 -201.989 -58.7577 PRESSAVG: 2568800 -65.6926 -13.9474 -3.26368 -13.9475 68.8863 -21.7181 -3.26367 -21.7181 -6.28791 GPRESSAVG: 2568800 -65.6614 -13.7799 -0.156631 -13.1215 68.5917 -24.0328 -3.95798 -19.7523 -6.246 TIMING: 2568800 CPU: 8115.01, 0.00314829/step Wall: 8115.01, 0.00314829/step, 2.12614 hours remaining, 235.132812 MB of memory in use. ENERGY: 2568800 4059.2374 20712.2979 14501.7580 249.4346 -203843.4852 2881.5150 0.0000 0.0000 52216.0999 -109223.1425 300.0866 -161439.2424 -108852.1412 299.9532 -165.3742 -137.1120 763394.6568 -1.0314 -1.1052 PRESSURE: 2569000 -389.771 -24.6186 105.344 -24.6195 -290.673 80.9915 105.343 80.9901 282.6 GPRESSURE: 2569000 -311.1 4.3988 249.349 -77.3181 -214.666 33.1295 71.2581 118.952 228.576 PRESSAVG: 2569000 -29.8287 -26.3824 46.7644 -26.3825 42.7864 26.496 46.7644 26.496 -19.9991 GPRESSAVG: 2569000 -29.7823 -28.3986 44.8187 -24.855 42.7533 28.298 47.0427 25.0781 -19.7695 TIMING: 2569000 CPU: 8115.64, 0.00313572/step Wall: 8115.64, 0.00313572/step, 2.11748 hours remaining, 235.132812 MB of memory in use. ENERGY: 2569000 4001.6841 20631.2950 14473.3665 233.8398 -203197.3341 2565.8468 0.0000 0.0000 52368.2458 -108923.0561 300.9610 -161291.3019 -108557.8305 299.9434 -132.6147 -99.0636 764928.7492 -2.3472 -2.2662 PRESSURE: 2569200 364.125 71.4059 23.3153 71.4055 151.105 -81.9082 23.315 -81.9084 269.401 GPRESSURE: 2569200 328.366 83.3665 -33.0204 78.2228 220.626 -116.259 26.5786 -147.193 323.557 PRESSAVG: 2569200 -22.2931 13.6066 -5.61714 13.6065 -1.6573 52.8101 -5.61712 52.81 14.9975 GPRESSAVG: 2569200 -22.4333 15.7788 -5.63962 11.7949 -1.71613 52.1909 -3.67266 51.7233 15.5502 TIMING: 2569200 CPU: 8116.26, 0.00311053/step Wall: 8116.26, 0.00311053/step, 2.1003 hours remaining, 235.132812 MB of memory in use. ENERGY: 2569200 3995.8505 20589.2880 14524.2283 237.9632 -203322.5712 2774.2121 0.0000 0.0000 52009.5056 -109191.5235 298.8993 -161201.0291 -108840.7811 299.6129 261.5437 290.8493 763392.7813 -2.9843 -2.8664 PRESSURE: 2569400 -235.028 31.1154 94.6447 31.1159 467.503 32.5004 94.6443 32.5001 70.4344 GPRESSURE: 2569400 -203.976 51.9357 109.373 37.5634 506.606 70.734 71.5215 -95.7584 67.3541 PRESSAVG: 2569400 -21.2469 -26.1784 39.5084 -26.1783 1.47707 67.197 39.5084 67.197 -7.46175 GPRESSAVG: 2569400 -21.9748 -26.7789 40.7277 -25.8103 3.03349 67.5003 35.7911 67.8297 -8.5212 TIMING: 2569400 CPU: 8116.89, 0.00311754/step Wall: 8116.89, 0.00311754/step, 2.10486 hours remaining, 235.132812 MB of memory in use. ENERGY: 2569400 3972.6126 20626.2408 14403.5332 246.2917 -203136.5975 2614.1386 0.0000 0.0000 51899.2941 -109374.4867 298.2660 -161273.7808 -109019.9487 299.1015 100.9698 123.3280 762714.4931 -9.0772 -9.1542 PRESSURE: 2569600 -124.768 -378.594 187.509 -378.595 278.7 -348.6 187.508 -348.6 90.9909 GPRESSURE: 2569600 -111.559 -272.089 156.296 -236.602 325.484 -399.24 241.95 -329.998 98.908 PRESSAVG: 2569600 -74.3821 -5.46698 35.264 -5.46701 65.6991 -31.7502 35.264 -31.7502 -16.9335 GPRESSAVG: 2569600 -73.7567 -5.1794 33.7459 -5.73164 65.2635 -32.6379 37.416 -32.0547 -17.8047 TIMING: 2569600 CPU: 8117.52, 0.00314078/step Wall: 8117.52, 0.00314079/step, 2.12038 hours remaining, 235.335938 MB of memory in use. ENERGY: 2569600 4056.1524 20560.6243 14403.0685 230.1098 -203653.7945 2953.8260 0.0000 0.0000 51992.2181 -109457.7954 298.8000 -161450.0135 -109103.3239 298.7631 81.6410 104.2778 761328.0970 -8.5388 -8.7659 PRESSURE: 2569800 -16.5688 162.819 25.9579 162.818 8.54523 77.4591 25.9574 77.4605 253.482 GPRESSURE: 2569800 10.3702 117.359 11.2047 257.055 81.0381 78.5136 -45.7506 241.977 224.704 PRESSAVG: 2569800 0.765875 -16.7878 1.27493 -16.7877 55.364 21.9798 1.27493 21.9798 8.20717 GPRESSAVG: 2569800 -0.50368 -17.0248 1.47622 -14.4588 54.8533 22.0463 2.74244 25.0318 10.3052 TIMING: 2569800 CPU: 8118.15, 0.00317082/step Wall: 8118.15, 0.00317082/step, 2.14048 hours remaining, 235.335938 MB of memory in use. ENERGY: 2569800 4022.7270 20586.5735 14435.0063 254.9507 -203477.2964 2707.2129 0.0000 0.0000 52284.9935 -109185.8325 300.4826 -161470.8260 -108826.2305 299.4186 81.8194 105.3706 760243.9888 21.4457 21.5516 PRESSURE: 2570000 -215.273 -161.061 -4.02029 -161.061 -278.212 89.1516 -4.02004 89.1511 76.2466 GPRESSURE: 2570000 -51.2779 -150.527 -6.68326 -123.083 -263.799 100.931 73.3663 92.9509 6.48961 PRESSAVG: 2570000 30.0374 -28.6564 -13.0993 -28.6563 -40.0444 63.6626 -13.0994 63.6626 11.4719 GPRESSAVG: 2570000 30.9569 -27.8785 -11.239 -29.4472 -39.5522 65.5796 -16.4319 59.2399 9.78319 TIMING: 2570000 CPU: 8118.78, 0.00313705/step Wall: 8118.78, 0.00313705/step, 2.11751 hours remaining, 235.335938 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: 2570000 3983.1523 20482.0402 14501.8762 247.9334 -203222.8270 2725.7125 0.0000 0.0000 51973.7502 -109308.3621 298.6939 -161282.1123 -108934.0743 299.8150 -139.0794 -102.8625 762675.4811 0.4883 0.3960 PRESSURE: 2570200 -243.434 176.306 -57.9433 176.306 77.0941 -51.6388 -57.9441 -51.6379 100.068 GPRESSURE: 2570200 -130.777 130.418 4.00742 85.6357 81.649 -140.145 -14.958 85.8977 94.7988 PRESSAVG: 2570200 47.9803 -38.8432 65.6304 -38.8431 -37.7977 61.0096 65.6304 61.0096 38.4649 GPRESSAVG: 2570200 48.1441 -38.8089 63.0678 -38.5671 -37.2671 60.0824 66.4603 60.6928 37.7816 TIMING: 2570200 CPU: 8119.41, 0.00314153/step Wall: 8119.41, 0.00314153/step, 2.12036 hours remaining, 235.335938 MB of memory in use. ENERGY: 2570200 4095.4401 20382.7528 14509.0715 236.9117 -203389.0483 2856.9725 0.0000 0.0000 51955.3300 -109352.5696 298.5880 -161307.8995 -108991.6998 299.6524 -22.0907 15.2235 760679.3473 16.2158 16.2195 PRESSURE: 2570400 -41.0916 -6.47994 285.524 -6.47993 -446.171 125.198 285.524 125.197 -130.671 GPRESSURE: 2570400 -142.208 33.6946 192.372 -147.687 -277.589 242.594 322.743 111.201 -103.248 PRESSAVG: 2570400 -15.2624 -31.3335 -11.748 -31.3335 -4.30491 -1.85551 -11.748 -1.85545 -8.36438 GPRESSAVG: 2570400 -15.0294 -32.0331 -11.3362 -33.3648 -4.68674 -1.50598 -11.3705 1.53723 -8.05853 TIMING: 2570400 CPU: 8120.03, 0.00314422/step Wall: 8120.03, 0.00314422/step, 2.122 hours remaining, 235.335938 MB of memory in use. ENERGY: 2570400 4024.3877 20537.9002 14507.2137 230.7543 -203287.0720 2486.4658 0.0000 0.0000 52132.1008 -109368.2494 299.6039 -161500.3503 -109008.2148 299.1790 -205.9778 -174.3485 761570.8264 -9.3106 -9.2582 PRESSURE: 2570600 -57.3385 -35.9465 94.2007 -35.9465 196.486 -140.027 94.2013 -140.026 -144.187 GPRESSURE: 2570600 2.7043 -55.617 42.6154 -43.0604 182.301 -255.547 -36.793 -143.247 -87.9637 PRESSAVG: 2570600 37.7755 7.29096 -43.8957 7.29093 -3.99606 68.3786 -43.8958 68.3787 -10.7812 GPRESSAVG: 2570600 38.0884 4.89626 -44.6665 10.1333 -5.36284 67.2616 -43.7055 65.2354 -9.42482 TIMING: 2570600 CPU: 8120.66, 0.00314902/step Wall: 8120.66, 0.00314902/step, 2.12506 hours remaining, 235.335938 MB of memory in use. ENERGY: 2570600 4041.5115 20496.3436 14547.2602 251.5351 -203357.0585 2561.7818 0.0000 0.0000 51908.9649 -109549.6614 298.3215 -161458.6263 -109197.8292 298.8579 -1.6798 32.3474 760231.4160 7.6661 7.7669 PRESSURE: 2570800 1.08972 -23.053 44.3252 -23.0529 -4.2112 -199.556 44.3256 -199.556 -88.96 GPRESSURE: 2570800 30.7327 -16.2502 84.1565 44.8432 -25.5506 -151.853 -42.8964 -135.146 -2.94747 PRESSAVG: 2570800 12.656 27.2063 -7.03542 27.2064 -26.1121 42.9308 -7.03549 42.9309 -1.67543 GPRESSAVG: 2570800 10.5141 28.7447 -6.14549 26.3027 -24.069 43.0971 -8.36624 44.8022 -1.75132 TIMING: 2570800 CPU: 8121.3, 0.00317645/step Wall: 8121.3, 0.00317645/step, 2.1434 hours remaining, 235.335938 MB of memory in use. ENERGY: 2570800 4019.7208 20527.6014 14417.5016 244.5220 -202983.5286 2529.5429 0.0000 0.0000 51903.4663 -109341.1736 298.2899 -161244.6399 -108972.6098 299.1041 -30.6938 0.7449 760983.4112 -5.0438 -5.1021 PRESSURE: 2571000 -89.9247 20.82 -59.4037 20.8198 -364.867 115.322 -59.4045 115.323 3.70243 GPRESSURE: 2571000 -29.5048 91.0394 -49.5305 22.9821 -318.293 75.4168 -13.6266 179.488 -18.8664 PRESSAVG: 2571000 -5.562 23.9002 -29.9524 23.9003 -19.3292 14.284 -29.9524 14.2841 -25.3755 GPRESSAVG: 2571000 -3.04767 25.5133 -30.2477 22.8254 -21.1605 13.3074 -30.712 17.4867 -26.3531 TIMING: 2571000 CPU: 8121.93, 0.00316288/step Wall: 8121.93, 0.00316288/step, 2.13407 hours remaining, 235.335938 MB of memory in use. ENERGY: 2571000 4029.2948 20409.6911 14553.6063 272.0471 -203333.8357 2631.3941 0.0000 0.0000 52201.0873 -109236.7150 300.0004 -161437.8023 -108874.6700 299.4837 -150.3632 -122.2215 762987.7951 -16.7556 -16.8538 PRESSURE: 2571200 -83.2506 58.0921 -84.4155 58.092 -258.287 76.0427 -84.4155 76.0444 -112.517 GPRESSURE: 2571200 -122.324 -55.51 10.9011 124.194 -160.001 27.9408 12.7272 91.0482 -73.3549 PRESSAVG: 2571200 -17.0596 21.4329 11.8866 21.4329 46.7226 62.5509 11.8866 62.5509 2.99226 GPRESSAVG: 2571200 -18.1039 22.22 13.88 20.4958 47.6387 63.9023 13.188 60.2547 3.44035 TIMING: 2571200 CPU: 8122.56, 0.00315784/step Wall: 8122.56, 0.00315784/step, 2.13049 hours remaining, 235.335938 MB of memory in use. ENERGY: 2571200 3949.9529 20482.7517 14480.9364 250.5366 -203460.7689 2452.2275 0.0000 0.0000 52260.7502 -109583.6136 300.3432 -161844.3638 -109214.7166 299.1649 -151.3515 -118.5600 760321.4965 10.8851 10.9917 PRESSURE: 2571400 -30.048 5.89057 118.829 5.89102 133.52 -316.457 118.829 -316.457 204.173 GPRESSURE: 2571400 35.01 -1.36373 190.532 -13.5047 171.291 -289.133 8.48189 -293.565 206.348 PRESSAVG: 2571400 -55.816 -33.6165 40.03 -33.6165 67.1181 10.3982 40.03 10.3982 11.7334 GPRESSAVG: 2571400 -56.3321 -35.6968 40.5333 -33.613 66.7093 8.66023 41.8712 9.42237 11.8485 TIMING: 2571400 CPU: 8123.19, 0.00314587/step Wall: 8123.19, 0.00314587/step, 2.12224 hours remaining, 235.335938 MB of memory in use. ENERGY: 2571400 3996.1374 20480.8142 14490.1244 258.8249 -203612.5697 2849.6038 0.0000 0.0000 51963.7306 -109573.3344 298.6363 -161537.0650 -109210.8255 298.9266 102.5484 137.5496 761212.2425 7.6785 7.4085 PRESSURE: 2571600 186.612 102.623 99.1449 102.623 -85.212 -9.39779 99.1451 -9.39822 -5.2238 GPRESSURE: 2571600 179.33 187.29 45.3953 155.014 29.8296 -12.9494 112.591 75.1464 -38.829 PRESSAVG: 2571600 -26.1852 -9.15809 4.72054 -9.15801 5.46825 23.6918 4.72053 23.6918 -16.9911 GPRESSAVG: 2571600 -26.2593 -9.08371 2.37313 -9.11794 6.5575 25.8612 5.22808 23.1958 -18.133 TIMING: 2571600 CPU: 8123.82, 0.00314077/step Wall: 8123.82, 0.00314077/step, 2.11862 hours remaining, 235.335938 MB of memory in use. ENERGY: 2571600 3969.1916 20522.6407 14513.7017 253.7534 -203509.2035 2607.5127 0.0000 0.0000 52249.5484 -109392.8551 300.2789 -161642.4034 -109022.9963 299.3405 32.0587 56.7769 760372.3298 -12.5693 -12.6116 PRESSURE: 2571800 237.374 -25.9442 104.755 -25.9432 -70.9722 31.7827 104.755 31.7826 328.398 GPRESSURE: 2571800 202.57 0.0841394 10.1585 95.4885 16.1833 56.5759 115.311 -18.232 320.422 PRESSAVG: 2571800 -0.369726 1.4522 -32.1162 1.45225 44.3366 22.1718 -32.1161 22.1719 -2.45964 GPRESSAVG: 2571800 -0.25038 2.93729 -31.8735 4.67741 43.2786 20.6487 -33.0336 25.4782 -1.87109 TIMING: 2571800 CPU: 8124.45, 0.00312992/step Wall: 8124.45, 0.00312992/step, 2.11113 hours remaining, 235.335938 MB of memory in use. ENERGY: 2571800 4027.4974 20610.8048 14557.0731 244.0179 -204158.9328 3013.3238 0.0000 0.0000 52110.8274 -109595.3884 299.4816 -161706.2158 -109236.3539 299.0032 164.9332 179.7251 760055.1585 13.8357 13.7190 PRESSURE: 2572000 -24.9918 22.3448 186.035 22.3461 200.626 77.3642 186.035 77.3638 -111.101 GPRESSURE: 2572000 15.7104 -20.6842 165.532 -19.8275 291.291 70.0894 227.376 7.40107 -188.373 PRESSAVG: 2572000 8.10496 -39.5216 -28.8792 -39.5216 -13.0733 51.7585 -28.8791 51.7585 18.2268 GPRESSAVG: 2572000 6.83602 -40.9657 -28.8276 -40.8807 -12.2195 52.0975 -27.4856 46.6903 18.8304 TIMING: 2572000 CPU: 8125.07, 0.00313056/step Wall: 8125.07, 0.00313056/step, 2.11139 hours remaining, 235.335938 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: 2572000 4037.0952 20658.3794 14441.4530 249.5285 -203980.0060 3041.2241 0.0000 0.0000 51976.0293 -109576.2965 298.7070 -161552.3258 -109209.3097 299.2801 21.5113 39.5428 761608.0853 4.4195 4.4823 PRESSURE: 2572200 285.448 -43.2219 -1.28415 -43.2215 140.822 -78.18 -1.2847 -78.1802 39.2399 GPRESSURE: 2572200 368.666 -19.4241 -25.816 -149.919 158.594 -103.319 -5.94848 -24.7099 30.9191 PRESSAVG: 2572200 -37.5884 -7.74468 -26.6389 -7.74478 27.848 8.42564 -26.6388 8.42573 -22.0651 GPRESSAVG: 2572200 -35.9349 -7.91257 -27.385 -8.45045 28.2059 8.58052 -26.8714 9.34805 -24.2637 TIMING: 2572200 CPU: 8125.7, 0.00314931/step Wall: 8125.7, 0.00314931/step, 2.12386 hours remaining, 235.335938 MB of memory in use. ENERGY: 2572200 4054.6685 20492.2482 14583.9739 251.6769 -203615.1577 2564.0936 0.0000 0.0000 52110.9985 -109557.4981 299.4826 -161668.4966 -109183.1306 299.0802 155.1701 186.0597 760608.2430 -10.6018 -10.6642 LDB: ============= START OF LOAD BALANCING ============== 8138.24 LDB: ============== END OF LOAD BALANCING =============== 8138.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8138.24 LDB: ============= START OF LOAD BALANCING ============== 8138.55 LDB: Largest compute 7065 load 0.030755 is 15.7% of average load 0.195547 LDB: Average compute 0.004389 is 2.2% of average load 0.195547 LDB: TIME 8138.56 LOAD: AVG 0.195547 MAX 0.213961 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 8138.56 LOAD: AVG 0.195547 MAX 0.213961 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 8138.56 LOAD: AVG 0.195547 MAX 0.213961 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 8138.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8138.56 PRESSURE: 2572400 -175.8 -145.144 -163.662 -145.143 9.38983 115.553 -163.663 115.555 -142.398 GPRESSURE: 2572400 -39.327 -103.571 -110.508 -14.2939 101.176 15.7063 -249.896 95.7582 -264.458 PRESSAVG: 2572400 58.0574 -14.0937 -3.53769 -14.0937 -3.73617 -11.7706 -3.53771 -11.7706 -5.48792 GPRESSAVG: 2572400 57.6954 -13.3236 -1.9807 -14.3653 -3.82809 -11.8203 -3.65815 -9.99097 -5.12295 TIMING: 2572400 CPU: 8126.35, 0.003225/step Wall: 8126.35, 0.003225/step, 2.17472 hours remaining, 234.875000 MB of memory in use. ENERGY: 2572400 4027.8807 20623.4166 14510.9966 233.8265 -203501.1724 2679.8121 0.0000 0.0000 52030.5640 -109394.6759 299.0204 -161425.2399 -109028.0534 299.2085 -102.9361 -67.5364 762094.0425 16.2778 16.2481 PRESSURE: 2572600 -104.25 -268.71 209.19 -268.71 -99.1601 -37.609 209.19 -37.6093 -186.593 GPRESSURE: 2572600 -126.44 -211.292 221.438 -341.042 -63.705 -26.9186 142.749 -88.9938 -121.352 PRESSAVG: 2572600 18.922 -54.2175 10.2938 -54.2175 -4.16401 45.9569 10.2938 45.9569 -14.1885 GPRESSAVG: 2572600 17.3622 -54.4667 10.6303 -53.9938 -5.20346 45.6473 8.95148 44.6185 -11.6222 TIMING: 2572600 CPU: 8126.98, 0.00314825/step Wall: 8126.98, 0.00314825/step, 2.1228 hours remaining, 234.875000 MB of memory in use. ENERGY: 2572600 4057.7422 20617.3212 14511.0955 229.4611 -203421.2121 2706.5814 0.0000 0.0000 51855.6424 -109443.3682 298.0151 -161299.0107 -109084.7204 299.3196 -130.0012 -103.8324 761467.8011 0.1898 0.1789 PRESSURE: 2572800 91.7235 -69.7969 -87.7181 -69.7979 86.3997 125.88 -87.7177 125.879 89.5633 GPRESSURE: 2572800 153.714 -52.9242 -122.804 -124.292 159.645 105.356 -49.8496 207.566 25.1612 PRESSAVG: 2572800 26.3916 -24.967 -3.04956 -24.967 -0.38035 -22.8557 -3.04954 -22.8557 -1.39634 GPRESSAVG: 2572800 29.1714 -25.7463 -3.69083 -25.0703 -0.658986 -23.1471 -1.16775 -21.5543 -3.423 TIMING: 2572800 CPU: 8127.61, 0.00314112/step Wall: 8127.61, 0.00314112/step, 2.11781 hours remaining, 234.875000 MB of memory in use. ENERGY: 2572800 4014.3358 20514.0584 14436.2221 273.6122 -203838.4410 2945.1628 0.0000 0.0000 52091.3918 -109563.6579 299.3699 -161655.0497 -109190.6480 298.9513 89.2288 112.8398 761222.1012 8.2050 8.3631 PRESSURE: 2573000 -226.896 23.9451 -225.49 23.9448 -409.342 25.6791 -225.49 25.6791 -384.709 GPRESSURE: 2573000 -302.163 113.934 -233.015 -59.8141 -280.969 -12.1506 -164.564 10.7684 -349.244 PRESSAVG: 2573000 39.5194 -87.9365 -59.132 -87.9366 -16.9041 8.22702 -59.132 8.22706 -5.73759 GPRESSAVG: 2573000 38.7609 -85.827 -57.8827 -87.9152 -17.2258 7.63396 -58.6002 7.73258 -3.95625 TIMING: 2573000 CPU: 8128.23, 0.00312717/step Wall: 8128.23, 0.00312717/step, 2.10823 hours remaining, 234.875000 MB of memory in use. ENERGY: 2573000 3993.7455 20446.4569 14502.3845 251.5585 -203362.0634 2503.4583 0.0000 0.0000 52158.7702 -109505.6894 299.7572 -161664.4597 -109146.6697 299.2450 -340.3155 -310.7921 761362.4978 5.6259 5.8596 PRESSURE: 2573200 116.676 -1.35998 49.7228 -1.35939 -513.8 -155.779 49.723 -155.778 -134.024 GPRESSURE: 2573200 35.9583 -52.563 185.686 -38.8267 -314.012 -148.466 -103.735 -99.1062 -170.534 PRESSAVG: 2573200 27.9937 2.70965 2.43352 2.70966 -54.9734 12.8537 2.43348 12.8537 3.74916 GPRESSAVG: 2573200 27.9043 0.998457 0.657554 5.97268 -54.3331 13.835 4.78986 12.228 3.56017 TIMING: 2573200 CPU: 8128.86, 0.00312837/step Wall: 8128.86, 0.00312837/step, 2.10887 hours remaining, 234.875000 MB of memory in use. ENERGY: 2573200 3960.3810 20506.9584 14478.3711 243.8872 -203513.7634 2693.7153 0.0000 0.0000 51996.1644 -109634.2859 298.8227 -161630.4504 -109275.8017 298.6026 -177.0492 -149.5292 761336.7354 -7.7435 -7.6229 PRESSURE: 2573400 -100.422 -55.9708 -143.448 -55.9708 210.287 175.463 -143.448 175.462 -196.351 GPRESSURE: 2573400 -24.8915 11.9102 -130.501 -77.3935 211.248 191.815 -198.426 145.212 -207.736 PRESSAVG: 2573400 -44.2219 -8.06251 -39.2171 -8.06247 18.3294 87.3696 -39.2171 87.3696 34.1112 GPRESSAVG: 2573400 -43.0433 -8.40879 -37.114 -10.9054 17.5059 87.77 -44.437 85.9313 33.7829 TIMING: 2573400 CPU: 8129.48, 0.00313814/step Wall: 8129.48, 0.00313814/step, 2.11528 hours remaining, 234.875000 MB of memory in use. ENERGY: 2573400 3825.7820 20624.2081 14530.8805 248.1201 -203510.0979 2573.4653 0.0000 0.0000 52061.6937 -109645.9482 299.1993 -161707.6419 -109279.3831 298.1730 -28.8286 -7.1267 761028.2375 2.7396 2.7485 PRESSURE: 2573600 214.851 177.3 -210.447 177.3 147.617 -151.572 -210.447 -151.57 -69.8875 GPRESSURE: 2573600 302.421 140.003 -312.505 34.3476 153.143 -162.766 -163.342 -206.756 -91.1426 PRESSAVG: 2573600 -2.52456 11.5312 -77.3988 11.5312 28.9216 -0.186843 -77.3988 -0.186813 -5.65514 GPRESSAVG: 2573600 -2.96578 12.3645 -77.5147 12.4455 29.4976 -1.83526 -75.4202 1.89563 -5.98565 TIMING: 2573600 CPU: 8130.11, 0.00313355/step Wall: 8130.11, 0.00313355/step, 2.11201 hours remaining, 234.875000 MB of memory in use. ENERGY: 2573600 3953.6897 20524.0292 14589.2443 248.6259 -203949.3468 3030.2625 0.0000 0.0000 52177.4282 -109426.0669 299.8644 -161603.4952 -109065.7051 298.7558 97.5265 121.4740 761152.0078 6.9140 6.8487 PRESSURE: 2573800 -366.436 175.402 -34.6929 175.402 -53.3895 313.473 -34.6938 313.472 234.338 GPRESSURE: 2573800 -178.54 185.687 -32.3583 184.19 -136.079 263.65 132.99 252.968 234.725 PRESSAVG: 2573800 0.48048 30.2801 15.0922 30.28 11.0461 -6.3451 15.0923 -6.34504 0.290182 GPRESSAVG: 2573800 0.493709 30.1353 13.8868 29.8325 9.99798 -5.79635 14.1777 -6.61614 0.864489 TIMING: 2573800 CPU: 8130.74, 0.00312893/step Wall: 8130.74, 0.00312893/step, 2.10872 hours remaining, 234.875000 MB of memory in use. ENERGY: 2573800 3966.3967 20541.9287 14474.3800 249.3563 -203393.0212 2633.4518 0.0000 0.0000 51904.3198 -109623.1879 298.2948 -161527.5077 -109252.1842 298.8348 -61.8291 -26.6311 759937.2310 3.9389 3.7854 PRESSURE: 2574000 271.674 -30.5757 176.732 -30.5769 -32.8189 47.3498 176.732 47.3497 -156.774 GPRESSURE: 2574000 302.834 4.38166 83.6783 111.402 89.1469 -28.8194 75.2542 60.1552 -214.546 PRESSAVG: 2574000 14.7924 12.0282 3.24082 12.0282 -58.4482 22.3083 3.24081 22.3083 4.19834 GPRESSAVG: 2574000 14.625 13.9497 3.19418 11.8319 -57.0028 22.3371 4.45758 22.1409 2.81 TIMING: 2574000 CPU: 8131.36, 0.00312463/step Wall: 8131.36, 0.00312463/step, 2.10565 hours remaining, 234.875000 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: 2574000 4009.9470 20411.5548 14495.0789 258.7358 -203286.6230 2721.2539 0.0000 0.0000 51791.0078 -109599.0449 297.6436 -161390.0527 -109237.3892 298.2839 27.3603 59.1450 760553.0676 -13.1525 -13.1893 PRESSURE: 2574200 130.852 -95.3316 197.49 -95.3318 -258.743 102.028 197.489 102.027 -30.2811 GPRESSURE: 2574200 144.228 -44.6875 110.403 -181.799 -128.71 117.128 210.313 145.405 -100.808 PRESSAVG: 2574200 -9.57997 -37.0788 87.3578 -37.0788 -45.3702 -7.81507 87.3578 -7.81509 -2.14523 GPRESSAVG: 2574200 -9.74109 -39.1766 87.9693 -36.4017 -45.1614 -7.56341 86.1852 -5.73733 -2.22826 TIMING: 2574200 CPU: 8131.99, 0.0031329/step Wall: 8131.99, 0.0031329/step, 2.11105 hours remaining, 234.875000 MB of memory in use. ENERGY: 2574200 3975.8822 20627.5581 14447.9224 249.2994 -203358.4321 2693.9256 0.0000 0.0000 52041.5365 -109322.3078 299.0834 -161363.8443 -108962.7208 298.9636 -52.7242 -28.4300 762135.2823 -19.0318 -19.0436 PRESSURE: 2574400 -57.8989 -59.3157 211.28 -59.3162 150.625 -6.65124 211.279 -6.65063 405.968 GPRESSURE: 2574400 7.49358 -74.3652 210.129 61.0009 186.213 13.5339 163.474 -9.62986 387.079 PRESSAVG: 2574400 -79.6347 -25.081 1.5415 -25.081 61.5046 10.0234 1.54148 10.0234 -18.0964 GPRESSAVG: 2574400 -79.7732 -25.1403 2.76025 -25.6852 61.9898 9.08119 2.04971 10.5051 -18.5475 TIMING: 2574400 CPU: 8132.62, 0.00314832/step Wall: 8132.62, 0.00314832/step, 2.12127 hours remaining, 234.875000 MB of memory in use. ENERGY: 2574400 3944.7551 20720.9017 14454.1348 265.0540 -203536.0487 2529.4423 0.0000 0.0000 52101.0986 -109520.6622 299.4257 -161621.7607 -109152.4252 298.4672 166.2311 193.5953 758648.8526 -12.0755 -12.1103 PRESSURE: 2574600 -416.196 42.4231 -192.674 42.4227 -60.6467 -5.27558 -192.673 -5.27494 -257.032 GPRESSURE: 2574600 -347.329 41.1753 -202.979 -83.5286 -105.357 41.2491 -79.5409 -125.416 -199.362 PRESSAVG: 2574600 -40.1952 -18.9145 22.4763 -18.9146 62.6215 20.8234 22.4763 20.8234 7.25252 GPRESSAVG: 2574600 -39.7816 -18.8371 21.1773 -19.6698 60.0944 21.9208 23.7582 18.5372 9.18404 TIMING: 2574600 CPU: 8133.25, 0.00313535/step Wall: 8133.25, 0.00313535/step, 2.11235 hours remaining, 234.875000 MB of memory in use. ENERGY: 2574600 3990.1150 20701.5848 14425.3717 232.9009 -203156.8095 2223.5638 0.0000 0.0000 52045.2840 -109537.9893 299.1050 -161583.2732 -109169.2838 299.1713 -244.6248 -217.3492 761467.3767 9.8930 9.8323 PRESSURE: 2574800 238.666 -79.603 144.664 -79.6027 -134.629 -104.706 144.664 -104.706 437.628 GPRESSURE: 2574800 241.261 -25.0461 121.31 -80.1445 -12.9596 -66.9622 116.989 -141.787 385.477 PRESSAVG: 2574800 -30.2991 -17.6759 35.7799 -17.6759 -12.352 26.3958 35.7799 26.3958 -2.35574 GPRESSAVG: 2574800 -30.8318 -19.4213 38.8292 -14.0774 -11.8508 26.807 32.9494 26.8102 -2.49958 TIMING: 2574800 CPU: 8133.87, 0.00313312/step Wall: 8133.87, 0.00313312/step, 2.11068 hours remaining, 234.875000 MB of memory in use. ENERGY: 2574800 3954.5211 20427.3452 14425.4029 245.2885 -203408.7471 2901.9411 0.0000 0.0000 52107.7009 -109346.5474 299.4637 -161454.2483 -108978.6908 298.3081 180.5549 204.5930 761496.7081 -15.0023 -15.0607 PRESSURE: 2575000 263.871 -26.162 -167.636 -26.1619 -249.619 -184.606 -167.635 -184.606 170.827 GPRESSURE: 2575000 176.1 -59.4109 -124.133 70.2114 -87.3603 -180.209 -140.769 -155.798 189.708 PRESSAVG: 2575000 -13.3721 -46.1858 1.86827 -46.1859 32.5834 37.602 1.86826 37.6021 3.39065 GPRESSAVG: 2575000 -12.6678 -43.0905 0.305316 -47.3637 33.0352 36.4898 4.54371 37.2334 2.67641 TIMING: 2575000 CPU: 8134.5, 0.00312389/step Wall: 8134.5, 0.00312389/step, 2.10429 hours remaining, 234.875000 MB of memory in use. ENERGY: 2575000 3995.5597 20536.9455 14439.0766 254.4995 -202965.9750 2537.1608 0.0000 0.0000 51961.0085 -109241.7241 298.6206 -161202.7327 -108887.8743 299.6767 61.6932 92.8159 761823.6227 7.5340 7.6813 PRESSURE: 2575200 -130.627 31.6345 296.567 31.6336 -318.616 51.854 296.567 51.855 -224.885 GPRESSURE: 2575200 -105.386 -2.96013 206.087 75.6986 -230.337 47.5506 228.535 -36.8273 -250.981 PRESSAVG: 2575200 20.7848 38.376 -5.81535 38.376 14.8347 5.61988 -5.81537 5.61991 -4.94846 GPRESSAVG: 2575200 20.6529 36.7695 -6.3212 37.9221 14.7186 6.55238 -8.89481 6.39697 -4.68633 TIMING: 2575200 CPU: 8135.12, 0.00313364/step Wall: 8135.12, 0.00313364/step, 2.11068 hours remaining, 234.875000 MB of memory in use. ENERGY: 2575200 4018.5044 20398.5599 14491.6902 248.1360 -202777.3121 2447.9870 0.0000 0.0000 52123.5726 -109048.8620 299.5549 -161172.4346 -108688.9758 299.1272 -224.7095 -195.5682 760554.5113 10.2237 10.2284 PRESSURE: 2575400 107.355 -120.984 68.661 -120.983 -161.074 49.8769 68.6611 49.877 19.553 GPRESSURE: 2575400 124.26 -95.5743 15.1631 -135.685 -105.235 123.876 -38.2738 44.5696 27.6697 PRESSAVG: 2575400 -8.64601 26.7443 -4.48774 26.7443 62.7225 39.2222 -4.48776 39.2222 -4.91809 GPRESSAVG: 2575400 -8.32677 26.8556 -5.27858 28.6018 62.6534 40.5728 -3.30063 38.1187 -4.63086 TIMING: 2575400 CPU: 8135.75, 0.00313123/step Wall: 8135.75, 0.00313123/step, 2.10888 hours remaining, 234.875000 MB of memory in use. ENERGY: 2575400 3922.3300 20489.1967 14464.3394 259.8956 -202985.3400 2596.3783 0.0000 0.0000 51918.3590 -109334.8409 298.3755 -161253.1999 -108961.2394 299.4557 -11.3884 15.5649 761207.4624 16.3861 16.5653 PRESSURE: 2575600 -291.593 -0.832644 -219.234 -0.832236 169.598 297.223 -219.233 297.223 -42.419 GPRESSURE: 2575600 -279.14 -35.125 -201.405 -36.0289 226.797 248.908 -211.151 284.825 -33.2721 PRESSAVG: 2575600 -39.312 -11.7723 26.7136 -11.7722 42.1026 -7.50951 26.7136 -7.50949 3.74698 GPRESSAVG: 2575600 -38.9528 -11.903 26.0132 -12.9967 43.2726 -8.66491 27.5092 -8.14 2.08183 TIMING: 2575600 CPU: 8136.38, 0.00314135/step Wall: 8136.38, 0.00314135/step, 2.11552 hours remaining, 234.875000 MB of memory in use. ENERGY: 2575600 3971.8929 20371.1908 14462.4167 253.6893 -202779.3265 2274.5653 0.0000 0.0000 52069.4671 -109376.1045 299.2439 -161445.5715 -109015.2270 299.0525 -54.8046 -28.5383 760169.7118 2.1792 2.1339 PRESSURE: 2575800 -289.472 -120.164 86.6589 -120.164 -443.794 -160.73 86.6582 -160.73 -319.042 GPRESSURE: 2575800 -191.104 -110.511 28.2395 -154.357 -432.882 -136.807 76.0674 51.322 -326.334 PRESSAVG: 2575800 -5.7377 -59.8385 14.4134 -59.8385 12.7727 -6.57076 14.4133 -6.57075 21.6787 GPRESSAVG: 2575800 -6.1861 -59.0521 14.8613 -60.1256 12.4402 -6.95286 15.1563 -3.95313 22.5319 TIMING: 2575800 CPU: 8137.01, 0.00314073/step Wall: 8137.01, 0.00314073/step, 2.11494 hours remaining, 234.875000 MB of memory in use. ENERGY: 2575800 3976.5645 20409.8152 14454.6532 241.2567 -202679.1327 2074.8146 0.0000 0.0000 52128.6399 -109393.3886 299.5840 -161522.0285 -109035.5256 299.3001 -350.7694 -316.7734 762949.3323 9.5712 9.5953 PRESSURE: 2576000 193.188 -99.1431 64.0531 -99.1425 -333.085 66.3154 64.0531 66.3152 28.5576 GPRESSURE: 2576000 54.4361 -120.444 -15.5898 -28.4652 -216.205 104.278 40.5797 191.265 129.299 PRESSAVG: 2576000 -19.0795 -37.3001 30.4652 -37.3001 -14.0997 22.0554 30.4651 22.0554 -9.99713 GPRESSAVG: 2576000 -19.8602 -38.0009 29.5489 -36.8239 -14.4236 21.0715 30.1707 21.5825 -8.79267 TIMING: 2576000 CPU: 8137.63, 0.00312106/step Wall: 8137.63, 0.00312106/step, 2.10152 hours remaining, 234.875000 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: 2576000 3965.5241 20388.4574 14425.8606 249.5762 -202844.7338 2499.3925 0.0000 0.0000 51930.3340 -109385.5889 298.4443 -161315.9229 -109019.9332 298.6229 -37.1131 -10.8234 763256.1344 -14.3921 -14.3588 PRESSURE: 2576200 -89.9082 142.859 -121.961 142.858 105.546 -105.47 -121.961 -105.47 157.344 GPRESSURE: 2576200 56.8601 83.9786 -135.584 42.7943 112.831 -67.3414 -73.1525 -51.9666 89.3297 PRESSAVG: 2576200 -26.2427 -17.7567 -44.0383 -17.7567 -0.350206 31.1903 -44.0383 31.1903 1.43341 GPRESSAVG: 2576200 -25.42 -20.2712 -43.4887 -17.7062 1.15662 30.2917 -43.0071 31.5049 -0.553341 TIMING: 2576200 CPU: 8138.25, 0.00311468/step Wall: 8138.25, 0.00311468/step, 2.09705 hours remaining, 234.875000 MB of memory in use. ENERGY: 2576200 3954.0873 20602.8989 14379.1843 229.6856 -203055.5672 2689.4836 0.0000 0.0000 51744.9004 -109455.3272 297.3787 -161200.2276 -109098.2471 298.8863 57.6608 86.3403 762405.8639 -8.3865 -8.2722 LDB: ============= START OF LOAD BALANCING ============== 8150.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8150.78 LDB: =============== DONE WITH MIGRATION ================ 8150.78 LDB: ============= START OF LOAD BALANCING ============== 8151.1 LDB: Largest compute 7056 load 0.030460 is 15.6% of average load 0.195573 LDB: Average compute 0.004384 is 2.2% of average load 0.195573 LDB: TIME 8151.1 LOAD: AVG 0.195573 MAX 0.214657 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.133 MB LDB: TIME 8151.1 LOAD: AVG 0.195573 MAX 0.214657 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: TIME 8151.1 LOAD: AVG 0.195573 MAX 0.214657 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: ============== END OF LOAD BALANCING =============== 8151.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8151.11 PRESSURE: 2576400 348.664 -240.059 -0.299275 -240.058 380.718 -46.6444 -0.298681 -46.6447 665.971 GPRESSURE: 2576400 441.168 -148.762 101.317 -81.1727 361.21 -22.4216 -17.9727 -65.9028 660.567 PRESSAVG: 2576400 49.5352 18.171 17.567 18.171 1.95849 -5.17584 17.567 -5.17587 -8.91282 GPRESSAVG: 2576400 50.2496 20.6755 19.6735 19.2453 0.310218 -3.3134 17.8147 -3.98487 -8.08412 TIMING: 2576400 CPU: 8138.89, 0.00318432/step Wall: 8138.89, 0.00318432/step, 2.14375 hours remaining, 235.386719 MB of memory in use. ENERGY: 2576400 3930.0678 20436.5550 14440.9644 233.7818 -203512.6440 3000.7329 0.0000 0.0000 52040.0956 -109430.4466 299.0751 -161470.5421 -109063.4951 299.0513 465.1176 487.6483 761461.4739 14.1936 14.1586 PRESSURE: 2576600 -323.59 50.1468 140.818 50.1461 -3.89218 72.167 140.818 72.1666 -220.842 GPRESSURE: 2576600 -237.75 0.432354 178.614 -2.46472 -9.17706 21.8835 174.671 -32.2582 -226.374 PRESSAVG: 2576600 -67.6033 -22.0581 -10.2688 -22.0581 3.44611 58.7187 -10.2688 58.7187 11.1857 GPRESSAVG: 2576600 -67.3568 -22.8494 -13.3026 -22.4909 3.04791 58.7602 -10.9917 55.3967 11.5619 TIMING: 2576600 CPU: 8139.52, 0.00312616/step Wall: 8139.52, 0.00312616/step, 2.10443 hours remaining, 235.781250 MB of memory in use. ENERGY: 2576600 4003.7631 20509.4708 14480.4657 227.4111 -203241.1844 2402.2998 0.0000 0.0000 52056.9878 -109560.7861 299.1722 -161617.7738 -109189.4238 298.5476 -182.7750 -157.7669 761272.4823 -17.6571 -17.5823 PRESSURE: 2576800 -78.43 60.8302 -7.23527 60.8293 -245.709 116.448 -7.23616 116.448 301.766 GPRESSURE: 2576800 -53.6149 150.925 5.10342 24.944 -197.506 84.6879 20.8167 15.0716 313.289 PRESSAVG: 2576800 -15.6332 -34.5048 -7.96356 -34.5048 93.9556 -23.6954 -7.96354 -23.6954 -11.7304 GPRESSAVG: 2576800 -16.0858 -33.8287 -7.44182 -36.7492 93.4856 -22.4153 -5.62279 -24.5997 -10.7121 TIMING: 2576800 CPU: 8140.14, 0.00311597/step Wall: 8140.14, 0.00311597/step, 2.0974 hours remaining, 235.781250 MB of memory in use. ENERGY: 2576800 3935.7300 20482.2674 14413.0314 249.2092 -203424.9493 2790.7201 0.0000 0.0000 51880.2860 -109673.7051 298.1567 -161553.9911 -109314.6761 298.3763 -7.4579 20.7229 760486.7393 22.1973 22.2292 PRESSURE: 2577000 -87.631 -85.1258 -124.025 -85.1246 -77.2451 28.7538 -124.024 28.7538 147.313 GPRESSURE: 2577000 -28.44 -69.2414 -204.049 -108.59 -49.4528 -8.86279 -28.8392 64.0394 161.658 PRESSAVG: 2577000 6.38775 -52.5397 34.1439 -52.5397 17.6134 11.6495 34.1439 11.6495 26.5296 GPRESSAVG: 2577000 6.2001 -51.9731 34.0231 -52.1399 18.0469 10.8562 31.9245 15.0605 26.0983 TIMING: 2577000 CPU: 8140.76, 0.00312974/step Wall: 8140.76, 0.00312974/step, 2.10649 hours remaining, 235.781250 MB of memory in use. ENERGY: 2577000 3903.0851 20439.6399 14439.6576 249.4860 -202953.1997 2449.1819 0.0000 0.0000 51922.5022 -109549.6469 298.3993 -161472.1490 -109187.9549 298.6211 -5.8543 27.9217 761739.5501 16.8436 16.7818 PRESSURE: 2577200 126.9 -258.202 -56.6525 -258.201 -328.459 51.0215 -56.6526 51.023 19.4524 GPRESSURE: 2577200 153.596 -136.119 -78.9882 -145.982 -247.917 39.0197 -23.5963 36.0725 -19.3197 PRESSAVG: 2577200 52.7751 -80.0053 18.8398 -80.0053 -23.299 -60.3539 18.8398 -60.3539 19.9568 GPRESSAVG: 2577200 52.3143 -80.4824 18.6823 -78.6038 -22.4886 -59.6398 18.1542 -62.3963 19.4799 TIMING: 2577200 CPU: 8141.39, 0.00313302/step Wall: 8141.39, 0.00313302/step, 2.10853 hours remaining, 235.781250 MB of memory in use. ENERGY: 2577200 3944.7703 20466.5241 14478.8988 264.0623 -203416.3834 2825.1398 0.0000 0.0000 51840.5691 -109596.4189 297.9285 -161436.9880 -109246.7098 299.0174 -60.7021 -37.8800 760222.1773 16.4776 16.4352 PRESSURE: 2577400 110.822 -70.7398 109.98 -70.7395 -300.08 -22.0283 109.98 -22.0286 -12.9107 GPRESSURE: 2577400 189.146 -147.339 81.169 -58.5475 -291.4 -13.9381 11.0753 -56.5002 2.35736 PRESSAVG: 2577400 3.10623 -45.6132 -6.14143 -45.6132 -26.3874 -27.8243 -6.14144 -27.8244 0.52433 GPRESSAVG: 2577400 2.13621 -46.9096 -5.77682 -45.4936 -26.5634 -29.3352 -6.36157 -26.4318 1.74674 TIMING: 2577400 CPU: 8142.02, 0.00312407/step Wall: 8142.02, 0.00312407/step, 2.10233 hours remaining, 235.781250 MB of memory in use. ENERGY: 2577400 4001.5790 20418.2107 14478.2329 267.9269 -203075.4037 2421.7749 0.0000 0.0000 51967.9586 -109519.7208 298.6606 -161487.6794 -109167.2290 298.3403 -67.3895 -33.2989 761920.6210 -7.5856 -7.5601 PRESSURE: 2577600 207.077 -183.53 47.4584 -183.529 -274.897 -37.158 47.4588 -37.1578 -93.0292 GPRESSURE: 2577600 179.63 -66.4622 42.1947 -121.971 -225.421 -33.102 10.2957 -65.7097 -43.7821 PRESSAVG: 2577600 69.6221 -8.39222 -17.9037 -8.39225 -85.9101 -13.793 -17.9038 -13.793 -2.51354 GPRESSAVG: 2577600 71.2454 -7.12249 -17.729 -8.88273 -86.1352 -11.9878 -16.0983 -15.0477 -4.49052 TIMING: 2577600 CPU: 8142.64, 0.00312868/step Wall: 8142.64, 0.00312868/step, 2.10525 hours remaining, 235.781250 MB of memory in use. ENERGY: 2577600 4041.1541 20634.5174 14382.7040 234.8520 -203524.1356 2780.6761 0.0000 0.0000 51832.9902 -109617.2418 297.8849 -161450.2320 -109272.0714 298.5072 -53.6164 -29.8577 760983.1760 -6.2672 -6.4601 PRESSURE: 2577800 82.4482 88.8021 -72.0796 88.802 -65.8005 104.244 -72.0783 104.244 355.013 GPRESSURE: 2577800 176.466 90.878 -210.808 -28.8882 -96.497 120.898 21.2506 56.5071 369.123 PRESSAVG: 2577800 67.1148 -65.8436 16.1286 -65.8435 -42.5486 27.7394 16.1286 27.7394 14.4594 GPRESSAVG: 2577800 66.5387 -65.6082 15.8466 -65.7385 -42.3596 26.1573 17.2225 27.9726 14.8067 TIMING: 2577800 CPU: 8143.27, 0.00313569/step Wall: 8143.27, 0.00313569/step, 2.1098 hours remaining, 235.781250 MB of memory in use. ENERGY: 2577800 3966.3700 20475.0657 14433.5033 232.2487 -203493.5644 2827.1671 0.0000 0.0000 51974.8504 -109584.3592 298.7002 -161559.2096 -109220.6395 298.7675 123.8871 149.6973 759745.4886 13.0085 12.9953 PRESSURE: 2578000 -242.058 -244.491 41.965 -244.492 -257.704 -226.52 41.9648 -226.52 -151.501 GPRESSURE: 2578000 -201.272 -188.553 87.2821 -259.915 -207.398 -207.277 -32.0571 -48.2822 -170.567 PRESSAVG: 2578000 8.33713 -46.4432 13.1181 -46.4432 -12.5838 -14.0695 13.1181 -14.0695 18.6707 GPRESSAVG: 2578000 8.26186 -45.7731 13.2477 -46.6189 -12.8517 -12.9275 11.7322 -13.0647 18.8796 TIMING: 2578000 CPU: 8143.9, 0.00314021/step Wall: 8143.9, 0.00314021/step, 2.11267 hours remaining, 235.781250 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: 2578000 3998.8325 20488.5217 14424.0300 233.7019 -202835.5481 2113.1268 0.0000 0.0000 51967.9286 -109609.4066 298.6604 -161577.3352 -109255.3475 298.7526 -217.0875 -193.0791 762095.3320 4.8080 4.7633 PRESSURE: 2578200 -374.639 49.0356 47.1599 49.0345 -279.915 83.6589 47.1599 83.6588 -547.201 GPRESSURE: 2578200 -245.462 145.891 115.444 25.9445 -310.011 115.203 126.085 85.6887 -556.543 PRESSAVG: 2578200 34.1542 -24.9926 49.9652 -24.9926 -41.8397 46.0899 49.9652 46.0899 5.92973 GPRESSAVG: 2578200 33.8543 -24.4506 49.0947 -23.9458 -41.3746 46.3593 49.2701 47.2732 5.54732 TIMING: 2578200 CPU: 8144.52, 0.00312763/step Wall: 8144.52, 0.00312763/step, 2.10402 hours remaining, 235.781250 MB of memory in use. ENERGY: 2578200 4007.5015 20522.9581 14513.8303 238.5963 -203312.9662 2388.3623 0.0000 0.0000 52009.3089 -109632.4088 298.8982 -161641.7177 -109267.3546 298.9305 -400.5852 -370.6722 760564.5317 -0.5852 -0.6577 PRESSURE: 2578400 128.54 -145.659 22.392 -145.659 10.4364 56.1107 22.3918 56.1109 -248.773 GPRESSURE: 2578400 181.147 -236.797 90.7462 -16.1812 39.917 45.425 52.9179 -104.415 -258.6 PRESSAVG: 2578400 47.2738 -62.0331 -34.2559 -62.0331 -2.46752 3.53865 -34.2559 3.53866 12.5582 GPRESSAVG: 2578400 47.2948 -62.9245 -34.0018 -63.0491 -2.42968 1.36718 -32.3144 2.01548 12.4555 TIMING: 2578400 CPU: 8145.15, 0.00314/step Wall: 8145.15, 0.00314/step, 2.11217 hours remaining, 235.781250 MB of memory in use. ENERGY: 2578400 4005.3094 20605.9580 14489.8761 240.8936 -203203.2954 2552.6342 0.0000 0.0000 51634.1195 -109674.5046 296.7420 -161308.6241 -109316.1892 299.0983 -36.5990 -12.5121 759332.3014 19.1215 19.1069 PRESSURE: 2578600 22.1612 -109.197 93.9548 -109.196 -441.101 178.604 93.9553 178.605 -37.7065 GPRESSURE: 2578600 -7.52181 -24.3582 54.6803 -129.733 -355.615 96.3183 144.067 162.399 -33.7902 PRESSAVG: 2578600 41.5032 -62.3181 3.57455 -62.3181 -28.08 33.5405 3.57456 33.5405 -14.7129 GPRESSAVG: 2578600 40.8381 -62.802 4.46044 -62.0655 -28.4175 33.4557 2.15257 34.1126 -13.6085 TIMING: 2578600 CPU: 8145.77, 0.00312315/step Wall: 8145.77, 0.00312315/step, 2.10066 hours remaining, 235.781250 MB of memory in use. ENERGY: 2578600 4032.1640 20752.0323 14407.0726 244.9111 -203550.2707 2516.5104 0.0000 0.0000 51709.1681 -109888.4123 297.1733 -161597.5804 -109532.0568 298.2849 -152.2156 -132.3091 760289.2790 -0.4299 -0.3960 PRESSURE: 2578800 -55.0503 -233.135 -127.698 -233.135 -359.696 -151.296 -127.698 -151.295 -205.459 GPRESSURE: 2578800 -54.2093 -189.37 -151.721 -175.147 -278.853 -52.1012 -37.8024 -107.445 -211.587 PRESSAVG: 2578800 -13.1874 -66.192 -23.848 -66.1919 44.2884 54.4567 -23.8479 54.4568 32.6792 GPRESSAVG: 2578800 -12.3374 -65.7129 -22.957 -65.6994 43.5849 56.0821 -24.2342 54.0955 32.3391 TIMING: 2578800 CPU: 8146.4, 0.00311599/step Wall: 8146.4, 0.00311599/step, 2.09568 hours remaining, 235.781250 MB of memory in use. ENERGY: 2578800 4016.9420 20700.8665 14500.6508 271.2470 -203437.1862 2365.8018 0.0000 0.0000 51792.9770 -109788.7012 297.6550 -161581.6781 -109424.4818 297.9787 -206.7351 -181.5500 760781.5326 21.2601 21.1955 PRESSURE: 2579000 -65.3885 -0.110683 144.024 -0.110665 88.3652 -115.662 144.024 -115.663 186.101 GPRESSURE: 2579000 88.0135 -120.558 116.799 -33.922 -0.0906569 -191.371 54.2386 -105.769 219.669 PRESSAVG: 2579000 34.5965 -125.198 -6.67946 -125.198 4.95996 -15.1662 -6.67947 -15.1663 1.72735 GPRESSAVG: 2579000 34.4793 -124.99 -7.24522 -125.965 4.96631 -15.1987 -5.52569 -13.8712 2.2465 TIMING: 2579000 CPU: 8147.02, 0.00313178/step Wall: 8147.02, 0.00313178/step, 2.10612 hours remaining, 235.781250 MB of memory in use. ENERGY: 2579000 3933.2576 20554.6374 14543.9279 267.9442 -203505.0999 2838.3081 0.0000 0.0000 51909.4172 -109457.6076 298.3241 -161367.0247 -109099.5140 298.6380 69.6925 102.5305 762418.1237 13.7613 13.8974 PRESSURE: 2579200 -460.049 -70.3665 11.4294 -70.3669 -43.537 165.556 11.4287 165.555 -254.895 GPRESSURE: 2579200 -397.121 -12.6043 21.713 -89.9139 44.7099 124.797 -59.2217 131.982 -312.162 PRESSAVG: 2579200 15.402 -35.0464 7.42497 -35.0464 -17.6532 8.86545 7.42506 8.86551 0.062496 GPRESSAVG: 2579200 16.4372 -35.1596 7.04431 -35.2667 -17.7941 8.1436 7.08609 8.84791 -0.328668 TIMING: 2579200 CPU: 8147.65, 0.00313503/step Wall: 8147.65, 0.00313503/step, 2.10813 hours remaining, 235.781250 MB of memory in use. ENERGY: 2579200 3947.8722 20526.2808 14483.2326 255.6263 -202797.0625 2213.2564 0.0000 0.0000 51715.9378 -109654.8564 297.2122 -161370.7942 -109295.7259 298.5190 -252.8270 -221.5243 764098.6729 -0.7296 -0.5619 PRESSURE: 2579400 -421.397 65.2247 -120.204 65.2245 6.70104 145.005 -120.204 145.006 -333.24 GPRESSURE: 2579400 -370.283 65.1795 -98.5108 109.521 -13.4271 179.376 -158.337 148.668 -272.903 PRESSAVG: 2579400 32.39 -73.7275 23.0358 -73.7275 -8.26848 41.5213 23.0358 41.5214 -32.6036 GPRESSAVG: 2579400 30.6951 -74.1778 24.1923 -73.6496 -7.35751 43.91 20.7901 42.8759 -31.9955 TIMING: 2579400 CPU: 8148.28, 0.00312275/step Wall: 8148.28, 0.00312275/step, 2.0997 hours remaining, 235.781250 MB of memory in use. ENERGY: 2579400 4031.7729 20618.3469 14469.3590 242.6492 -203213.8005 2387.7852 0.0000 0.0000 51925.8432 -109538.0442 298.4185 -161463.8874 -109185.4107 298.5076 -249.3117 -218.8712 762230.5735 -2.8273 -2.8860 PRESSURE: 2579600 288.489 -49.2879 -54.8598 -49.2875 3.91376 86.4287 -54.8594 86.4292 273.71 GPRESSURE: 2579600 369.935 12.7808 -11.3584 -72.3367 19.2558 60.6594 49.8211 56.1596 265.34 PRESSAVG: 2579600 70.5235 -21.5143 29.8303 -21.5142 -57.5541 -9.13724 29.8302 -9.13721 -6.96628 GPRESSAVG: 2579600 72.5191 -20.8379 30.7508 -22.2585 -59.1438 -11.0923 32.1834 -11.6459 -6.90966 TIMING: 2579600 CPU: 8148.9, 0.00313254/step Wall: 8148.9, 0.00313254/step, 2.10611 hours remaining, 235.781250 MB of memory in use. ENERGY: 2579600 3940.5444 20527.6031 14402.7301 251.0060 -203833.1583 2947.3553 0.0000 0.0000 52181.1660 -109582.7534 299.8859 -161763.9193 -109223.2621 299.2097 188.7043 218.1770 759711.9953 2.0011 2.1552 PRESSURE: 2579800 48.8949 1.02555 -133.728 1.02529 233.948 -54.7509 -133.728 -54.7508 -200.334 GPRESSURE: 2579800 177.38 -57.9357 -152.315 43.2878 159.059 -69.3844 -115.241 -134.065 -169.82 PRESSAVG: 2579800 26.8617 -71.7448 44.1567 -71.7448 -47.3762 28.6668 44.1568 28.6667 -4.79691 GPRESSAVG: 2579800 26.0189 -71.3384 41.8648 -70.1013 -46.1568 28.6583 44.3254 28.8902 -4.98629 TIMING: 2579800 CPU: 8149.53, 0.00313383/step Wall: 8149.53, 0.00313383/step, 2.10681 hours remaining, 235.781250 MB of memory in use. ENERGY: 2579800 4024.1120 20392.8449 14499.4470 240.3250 -203838.9499 3046.8621 0.0000 0.0000 51989.2962 -109646.0626 298.7832 -161635.3588 -109288.0812 298.7195 27.5029 55.5400 761009.3634 -8.4371 -8.3747 PRESSURE: 2580000 10.6652 -32.7791 23.4976 -32.7801 -45.1397 73.9209 23.4969 73.921 -152.161 GPRESSURE: 2580000 72.8155 -6.55238 -67.9644 -63.9499 -10.162 22.1164 27.793 21.3927 -158.649 PRESSAVG: 2580000 59.4306 -54.2705 -16.5673 -54.2705 -48.1347 0.35426 -16.5673 0.354358 -16.1819 GPRESSAVG: 2580000 59.4107 -54.0718 -15.9281 -54.6599 -48.5845 0.509827 -18.089 0.178613 -15.8639 TIMING: 2580000 CPU: 8150.15, 0.00312374/step Wall: 8150.15, 0.00312374/step, 2.09985 hours remaining, 235.781250 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: 2580000 4040.9909 20662.0371 14540.8873 247.6124 -203567.6563 2606.3955 0.0000 0.0000 51957.7852 -109511.9479 298.6021 -161469.7331 -109149.8432 299.2820 -62.2120 -31.9987 761546.9099 -1.6287 -1.6792 PRESSURE: 2580200 -275.932 -16.6509 19.3731 -16.6515 -52.5235 91.0582 19.3726 91.0591 -163.185 GPRESSURE: 2580200 -244.811 -104.626 59.0502 11.917 -43.5915 -2.97442 6.30441 127.815 -145.156 PRESSAVG: 2580200 53.885 -52.2353 18.6435 -52.2352 4.60911 -4.91441 18.6435 -4.91451 5.32636 GPRESSAVG: 2580200 52.9166 -55.4037 17.8421 -52.2222 5.3196 -5.43892 20.108 -2.79387 6.09238 TIMING: 2580200 CPU: 8150.78, 0.00311979/step Wall: 8150.78, 0.00311979/step, 2.09702 hours remaining, 235.781250 MB of memory in use. ENERGY: 2580200 4029.2481 20831.2973 14407.2215 244.5254 -203452.7424 2419.5375 0.0000 0.0000 52079.2433 -109441.6693 299.3001 -161520.9125 -109074.4096 299.4984 -163.8801 -144.5195 761671.7268 21.2735 21.4429 LDB: ============= START OF LOAD BALANCING ============== 8163.31 LDB: ============== END OF LOAD BALANCING =============== 8163.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.31 LDB: ============= START OF LOAD BALANCING ============== 8163.62 LDB: Largest compute 7057 load 0.031893 is 16.3% of average load 0.195528 LDB: Average compute 0.004378 is 2.2% of average load 0.195528 LDB: TIME 8163.63 LOAD: AVG 0.195528 MAX 0.217587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 8163.63 LOAD: AVG 0.195528 MAX 0.217587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: TIME 8163.63 LOAD: AVG 0.195528 MAX 0.217587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: ============== END OF LOAD BALANCING =============== 8163.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8163.64 PRESSURE: 2580400 89.8631 -130.066 98.0875 -130.066 -20.954 -118.703 98.088 -118.703 -122.449 GPRESSURE: 2580400 42.8406 -16.3581 83.5542 -78.3795 70.5702 -128.589 92.3928 -116.354 -95.7308 PRESSAVG: 2580400 -22.0891 -29.7151 6.26524 -29.7151 40.2171 2.16293 6.26527 2.16286 16.4145 GPRESSAVG: 2580400 -21.0528 -25.5729 5.77087 -30.0067 40.4941 2.31688 6.53338 0.826427 15.1757 TIMING: 2580400 CPU: 8151.42, 0.00320171/step Wall: 8151.42, 0.00320171/step, 2.15191 hours remaining, 234.363281 MB of memory in use. ENERGY: 2580400 4041.4844 20599.6259 14467.4288 224.5874 -203182.1856 2409.9530 0.0000 0.0000 52096.4108 -109342.6952 299.3988 -161439.1061 -108977.5160 299.9353 -17.8465 5.8933 761260.7982 11.5141 11.5390 PRESSURE: 2580600 37.666 -305.532 195.028 -305.533 5.34866 74.6212 195.027 74.6205 -479.553 GPRESSURE: 2580600 29.5101 -273.782 137.242 -220.081 19.7682 45.9557 102.439 71.8226 -397.894 PRESSAVG: 2580600 -18.9127 -76.7617 -4.64912 -76.7617 -7.65313 20.4791 -4.64912 20.4791 1.8688 GPRESSAVG: 2580600 -18.3198 -78.7912 -2.23321 -74.9467 -8.79872 20.257 -4.70623 18.8782 2.93086 TIMING: 2580600 CPU: 8152.05, 0.00314585/step Wall: 8152.05, 0.00314585/step, 2.11418 hours remaining, 234.363281 MB of memory in use. ENERGY: 2580600 4072.0823 20582.0741 14440.0547 236.5718 -203411.4579 2724.9579 0.0000 0.0000 52113.6810 -109242.0361 299.4980 -161355.7172 -108885.3812 299.2177 -145.5128 -116.2053 760716.2238 -8.2324 -8.0626 PRESSURE: 2580800 504.568 -61.7576 166.088 -61.7563 -104.291 -39.1777 166.088 -39.1781 20.9852 GPRESSURE: 2580800 433.812 -94.3929 173.896 44.5116 -17.7472 37.0392 235.515 44.4691 86.6887 PRESSAVG: 2580800 68.2916 -70.9656 73.3237 -70.9656 -3.10268 28.1874 73.3237 28.1874 -9.68622 GPRESSAVG: 2580800 67.8316 -71.802 73.45 -73.383 -1.00734 27.2802 70.2668 29.0835 -10.6523 TIMING: 2580800 CPU: 8152.68, 0.00313796/step Wall: 8152.68, 0.00313796/step, 2.10871 hours remaining, 234.363281 MB of memory in use. ENERGY: 2580800 4002.7058 20717.3608 14525.6846 230.8805 -203577.7560 2766.4356 0.0000 0.0000 52089.0750 -109245.6137 299.3566 -161334.6887 -108885.1272 299.8586 140.4210 167.5845 760702.9561 18.5009 18.7240 PRESSURE: 2581000 -247.75 -64.9789 72.5941 -64.9798 13.0097 -30.6674 72.5938 -30.667 -56.7152 GPRESSURE: 2581000 -143.318 -7.32982 46.2885 -108.465 3.04386 62.119 110.27 -111.942 -76.762 PRESSAVG: 2581000 28.1955 -72.8581 -4.56139 -72.858 -13.978 -29.9564 -4.56138 -29.9563 -2.71132 GPRESSAVG: 2581000 28.3936 -73.2362 -6.48047 -73.0694 -14.5986 -28.4032 -3.92943 -27.9324 -2.86069 TIMING: 2581000 CPU: 8153.3, 0.00313456/step Wall: 8153.3, 0.00313456/step, 2.10625 hours remaining, 234.363281 MB of memory in use. ENERGY: 2581000 3963.8716 20792.6057 14521.3699 242.3727 -203155.4480 2415.2547 0.0000 0.0000 52156.4450 -109063.5284 299.7438 -161219.9734 -108702.8259 299.8459 -97.1519 -72.3454 761189.3677 3.8354 3.6448 PRESSURE: 2581200 225.931 -82.0016 -282.806 -82.0017 431.863 -156.177 -282.806 -156.176 507.201 GPRESSURE: 2581200 250.217 -17.604 -285.655 -1.24924 491.438 -106.804 -228.89 -164.098 497.31 PRESSAVG: 2581200 -29.0588 -25.7046 -34.9298 -25.7046 1.48097 10.4792 -34.9298 10.4793 -14.3243 GPRESSAVG: 2581200 -29.1407 -22.8996 -31.6203 -27.3949 1.62867 9.1813 -34.2198 8.45383 -13.7627 TIMING: 2581200 CPU: 8153.93, 0.00313213/step Wall: 8153.93, 0.00313213/step, 2.10444 hours remaining, 234.363281 MB of memory in use. ENERGY: 2581200 3987.8619 20771.2196 14484.5054 241.4598 -203545.2933 3088.6766 0.0000 0.0000 52028.7609 -108942.8091 299.0100 -160971.5699 -108587.8305 299.9787 388.3317 412.9885 762671.0436 -13.9674 -13.7582 PRESSURE: 2581400 131.833 -16.9183 158.263 -16.9197 162.699 -396.325 158.263 -396.324 13.7191 GPRESSURE: 2581400 191.171 -10.5889 165.957 4.95776 132.77 -244.548 135.751 -243.582 65.3506 PRESSAVG: 2581400 -3.39622 22.609 -14.0298 22.6089 -11.0996 46.2735 -14.0298 46.2735 -11.5767 GPRESSAVG: 2581400 -3.52338 20.4896 -15.5745 23.8267 -10.5195 48.3266 -12.4134 45.8523 -11.8351 TIMING: 2581400 CPU: 8154.55, 0.00311487/step Wall: 8154.55, 0.00311487/step, 2.09267 hours remaining, 234.363281 MB of memory in use. ENERGY: 2581400 4023.6820 20694.3614 14543.3555 242.6888 -203150.7833 2529.5887 0.0000 0.0000 52274.1244 -108842.9825 300.4201 -161117.1069 -108485.9098 300.3573 102.7506 129.7641 763239.5715 -8.6908 -8.6260 PRESSURE: 2581600 372.505 7.07878 -213.675 7.07804 -300.762 132.924 -213.675 132.923 107.378 GPRESSURE: 2581600 363.605 -48.3715 -201.245 39.5585 -183.441 224.496 -386.757 160.859 75.8219 PRESSAVG: 2581600 37.189 -24.5699 80.5257 -24.5698 -39.8182 20.7163 80.5257 20.7162 2.1176 GPRESSAVG: 2581600 37.707 -24.3148 80.7895 -23.9333 -39.8525 20.4513 79.2556 20.8037 2.1084 TIMING: 2581600 CPU: 8155.18, 0.0031238/step Wall: 8155.18, 0.0031238/step, 2.0985 hours remaining, 234.363281 MB of memory in use. ENERGY: 2581600 3966.0931 20589.3647 14473.9164 230.9903 -203195.1663 2554.5178 0.0000 0.0000 52419.2189 -108961.0651 301.2540 -161380.2840 -108602.6498 300.5048 59.7070 85.3286 762435.7311 -0.1705 -0.0124 PRESSURE: 2581800 444.919 -133.455 -72.5697 -133.455 140.754 58.5157 -72.569 58.5158 175.886 GPRESSURE: 2581800 482.504 -16.6464 -75.9507 -132.394 144.797 19.2166 77.2685 118.047 231.255 PRESSAVG: 2581800 46.9534 -7.51619 25.1484 -7.51619 -66.5471 11.2478 25.1485 11.2479 5.13333 GPRESSAVG: 2581800 46.3597 -7.53502 24.8104 -7.389 -66.9708 8.99031 25.0089 11.5773 6.89856 TIMING: 2581800 CPU: 8155.8, 0.00313332/step Wall: 8155.8, 0.00313332/step, 2.10472 hours remaining, 234.351562 MB of memory in use. ENERGY: 2581800 3909.1676 20538.8123 14461.5995 250.9756 -203323.9040 2698.1940 0.0000 0.0000 52370.4968 -109094.6582 300.9740 -161465.1550 -108727.3332 300.4752 253.8529 286.1851 762963.8398 -4.8201 -4.5708 PRESSURE: 2582000 106.52 72.0467 223.979 72.0474 85.4534 -285.418 223.98 -285.418 439.643 GPRESSURE: 2582000 156.064 50.7356 256.488 93.3952 161.289 -235.128 60.4624 -146.498 420.96 PRESSAVG: 2582000 21.0094 -23.5504 18.3222 -23.5505 -41.3461 -18.0944 18.3222 -18.0944 6.12778 GPRESSAVG: 2582000 21.0534 -21.7891 17.1308 -25.1736 -40.4927 -16.6801 21.1071 -17.9656 4.8844 TIMING: 2582000 CPU: 8156.43, 0.00313592/step Wall: 8156.43, 0.00313592/step, 2.1063 hours remaining, 234.351562 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: 2582000 3965.4273 20478.0141 14528.3558 219.6797 -203101.6420 2454.6617 0.0000 0.0000 52102.8167 -109352.6867 299.4356 -161455.5034 -108987.3891 299.8015 210.5388 246.1044 762118.5394 -4.7363 -4.8516 PRESSURE: 2582200 100.466 -79.5945 35.2201 -79.5951 209.545 11.2705 35.2201 11.27 -64.739 GPRESSURE: 2582200 44.9784 -56.2191 140.894 -59.5522 252.37 43.3426 -10.0101 62.3938 26.6997 PRESSAVG: 2582200 -8.46463 -42.8476 39.8793 -42.8475 -5.38482 -43.1239 39.8793 -43.1239 4.33509 GPRESSAVG: 2582200 -8.842 -42.8074 39.9479 -43.0234 -5.26645 -43.5732 36.3514 -42.981 4.1211 TIMING: 2582200 CPU: 8157.06, 0.00313452/step Wall: 8157.06, 0.00313452/step, 2.10518 hours remaining, 234.351562 MB of memory in use. ENERGY: 2582200 4008.4402 20222.6884 14515.9750 246.0444 -203599.4826 2876.9883 0.0000 0.0000 52461.9035 -109267.4428 301.4993 -161729.3463 -108894.8028 299.5649 81.7574 108.0160 762920.5955 -3.1715 -3.3291 PRESSURE: 2582400 -264.946 -98.6221 113.218 -98.622 -336.312 199.28 113.217 199.279 -164.172 GPRESSURE: 2582400 -206.978 -118.561 123.881 14.5822 -323.234 202.272 238.274 182.705 -180.859 PRESSAVG: 2582400 2.24474 -17.2221 46.0133 -17.2221 24.2008 -29.4707 46.0133 -29.4708 22.8675 GPRESSAVG: 2582400 3.14923 -18.8342 46.5723 -16.4145 23.9274 -29.3349 44.6749 -27.6132 22.0654 TIMING: 2582400 CPU: 8157.69, 0.00315022/step Wall: 8157.69, 0.00315022/step, 2.11555 hours remaining, 234.351562 MB of memory in use. ENERGY: 2582400 3897.0892 20587.7150 14463.1633 259.5354 -202939.7613 2227.3384 0.0000 0.0000 51845.7854 -109659.1346 297.9584 -161504.9200 -109295.2339 299.1445 -255.1432 -237.0239 763330.9016 16.4377 16.3807 PRESSURE: 2582600 151.514 -76.2705 143.938 -76.2707 -62.7819 169.127 143.938 169.128 -260.114 GPRESSURE: 2582600 162.591 -15.2136 167.159 -70.9452 -0.846132 231.986 83.36 184.782 -230.341 PRESSAVG: 2582600 47.1663 -40.1659 36.341 -40.1659 -25.3051 16.5022 36.341 16.5022 -8.9427 GPRESSAVG: 2582600 47.3511 -37.5363 37.9254 -39.4621 -25.9476 15.6888 38.9853 14.4711 -7.78082 TIMING: 2582600 CPU: 8158.32, 0.00314321/step Wall: 8158.32, 0.00314321/step, 2.11066 hours remaining, 234.351562 MB of memory in use. ENERGY: 2582600 4006.3090 20472.7662 14485.6788 246.8448 -203597.4315 2840.4868 0.0000 0.0000 51973.5882 -109571.7578 298.6929 -161545.3460 -109204.2222 298.8237 -57.1270 -22.8656 762551.3258 4.3062 4.5409 PRESSURE: 2582800 -194.902 -84.3776 -61.6717 -84.3781 -247.544 -137.543 -61.6724 -137.541 -206.667 GPRESSURE: 2582800 -157.772 -127.487 -110.422 -57.422 -256.752 -29.7809 -71.1509 -148.542 -164.715 PRESSAVG: 2582800 25.071 -48.851 40.7031 -48.851 -49.9832 -12.5879 40.7031 -12.5879 -0.774485 GPRESSAVG: 2582800 24.2297 -53.2413 40.2129 -47.918 -48.6835 -13.7036 38.0285 -10.7013 -0.771471 TIMING: 2582800 CPU: 8158.94, 0.00314171/step Wall: 8158.94, 0.00314171/step, 2.10948 hours remaining, 234.351562 MB of memory in use. ENERGY: 2582800 3902.2374 20371.8072 14424.9582 226.6922 -203543.9656 2657.8838 0.0000 0.0000 52407.1928 -109553.1941 301.1849 -161960.3869 -109184.9092 299.5163 -216.3709 -193.0798 762278.8442 -8.5622 -8.4084 PRESSURE: 2583000 -216.528 51.8847 -203.951 51.8848 -181.351 -60.0336 -203.952 -60.0327 -329.526 GPRESSURE: 2583000 -234.209 -47.8849 -175.912 44.524 -143.59 -47.3026 -115.618 -60.9471 -269.182 PRESSAVG: 2583000 70.718 -32.2027 39.9398 -32.2027 -6.86923 -16.5757 39.9397 -16.5757 14.3208 GPRESSAVG: 2583000 70.3315 -30.0632 38.6788 -34.5292 -6.84983 -15.1521 42.1334 -19.6118 14.2241 TIMING: 2583000 CPU: 8159.57, 0.00312382/step Wall: 8159.57, 0.00312382/step, 2.0973 hours remaining, 234.351562 MB of memory in use. ENERGY: 2583000 3997.0205 20388.5955 14410.0258 239.7792 -203503.2580 2719.5304 0.0000 0.0000 52034.0037 -109714.3030 299.0401 -161748.3066 -109345.0606 299.2435 -242.4682 -215.6604 762133.1266 26.0565 25.9020 PRESSURE: 2583200 -48.6551 -123.652 -53.731 -123.653 -137.827 -199.825 -53.7322 -199.825 -63.3069 GPRESSURE: 2583200 -68.5154 -42.2163 -69.5591 -63.3044 -51.7341 -186.724 -36.4493 -225.7 -45.634 PRESSAVG: 2583200 39.486 -30.982 1.03734 -30.982 -13.3368 -12.9936 1.03729 -12.9936 2.73883 GPRESSAVG: 2583200 38.3553 -30.4086 2.29268 -30.3769 -13.0725 -12.8511 1.28664 -10.5741 3.45044 TIMING: 2583200 CPU: 8160.2, 0.00313276/step Wall: 8160.2, 0.00313276/step, 2.10313 hours remaining, 234.339844 MB of memory in use. ENERGY: 2583200 4017.0777 20435.8822 14423.3952 251.2596 -203249.0037 2607.3423 0.0000 0.0000 51918.6781 -109595.3686 298.3774 -161514.0467 -109241.0314 298.8458 -83.2630 -55.2945 761716.3481 9.6294 9.5777 PRESSURE: 2583400 -157.351 108.769 42.3823 108.769 153.076 -62.2935 42.3826 -62.2946 -146.41 GPRESSURE: 2583400 -51.3222 80.0262 98.2602 23.3684 61.37 -125.684 11.0154 -83.4955 -97.6374 PRESSAVG: 2583400 51.3235 23.7747 14.8759 23.7747 -77.2775 -38.6049 14.8759 -38.605 14.3189 GPRESSAVG: 2583400 54.2894 23.2422 14.8548 23.1861 -80.3987 -38.5472 15.2256 -38.6886 14.1305 TIMING: 2583400 CPU: 8160.82, 0.0031341/step Wall: 8160.82, 0.0031341/step, 2.10385 hours remaining, 234.339844 MB of memory in use. ENERGY: 2583400 3959.6260 20417.4494 14451.2393 278.2572 -203223.6361 2579.8609 0.0000 0.0000 51977.8370 -109559.3663 298.7173 -161537.2033 -109201.4703 298.9644 -50.2284 -29.1965 762396.9148 -3.8784 -3.9930 PRESSURE: 2583600 -41.1297 376.809 -148.255 376.809 260.143 38.8148 -148.255 38.8139 337.306 GPRESSURE: 2583600 51.1364 236.723 -66.7409 279.119 239.886 -9.9993 -141.442 102.745 351.251 PRESSAVG: 2583600 12.3664 49.3743 -20.0332 49.3742 1.84751 -49.7572 -20.0333 -49.7573 -19.0479 GPRESSAVG: 2583600 11.5453 47.441 -20.1671 50.9472 3.20234 -49.5844 -18.9455 -48.6635 -19.7637 TIMING: 2583600 CPU: 8161.45, 0.00314197/step Wall: 8161.45, 0.00314197/step, 2.10896 hours remaining, 234.339844 MB of memory in use. ENERGY: 2583600 3915.5760 20333.8453 14486.7581 239.6731 -203515.4288 2724.5673 0.0000 0.0000 52084.5107 -109730.4983 299.3304 -161815.0090 -109373.3335 298.8801 185.4397 214.0911 761355.5338 -1.6113 -1.6720 PRESSURE: 2583800 126 109.218 -124.757 109.219 -130.218 72.5702 -124.758 72.5706 -35.1122 GPRESSURE: 2583800 177.867 144.478 -202.754 11.9434 -83.0184 -19.6777 -146.136 54.862 -60.5379 PRESSAVG: 2583800 -19.7359 9.91991 -28.2412 9.91995 36.0705 20.153 -28.2412 20.1531 -7.52596 GPRESSAVG: 2583800 -19.8738 11.6111 -27.7729 8.28812 36.5577 19.7632 -28.8072 19.4416 -7.81216 TIMING: 2583800 CPU: 8162.08, 0.0031322/step Wall: 8162.08, 0.0031322/step, 2.10223 hours remaining, 234.339844 MB of memory in use. ENERGY: 2583800 3989.8405 20328.6509 14445.5044 236.8448 -202888.3425 2449.6153 0.0000 0.0000 51785.3810 -109652.5056 297.6113 -161437.8865 -109302.9878 298.0380 -13.1100 11.4367 761694.6401 2.9362 2.9572 PRESSURE: 2584000 336.964 -6.02233 -67.9633 -6.02241 387.799 138.523 -67.9641 138.523 452.862 GPRESSURE: 2584000 365.626 -105.848 86.9418 -38.7145 454.148 145.04 -140.195 162.394 445.52 PRESSAVG: 2584000 7.66359 -11.7359 -21.7671 -11.7358 -5.01673 18.7409 -21.7671 18.7409 -13.4317 GPRESSAVG: 2584000 7.27652 -13.8386 -21.1 -10.5531 -4.85812 18.8024 -24.2767 17.3664 -13.3718 TIMING: 2584000 CPU: 8162.7, 0.00313563/step Wall: 8162.7, 0.00313563/step, 2.10436 hours remaining, 234.351562 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: 2584000 3907.7985 20382.1969 14450.8015 239.3636 -203467.5906 2775.6458 0.0000 0.0000 52242.9640 -109468.8203 300.2410 -161711.7843 -109115.1112 298.9285 392.5419 421.7649 759919.6873 -3.5950 -3.6511 PRESSURE: 2584200 -204.077 74.5743 84.649 74.5745 201.199 33.3233 84.6484 33.3239 139.407 GPRESSURE: 2584200 -166.506 57.0185 -5.22197 -24.8172 183.343 71.4193 165.107 -31.5186 199.077 PRESSAVG: 2584200 102.241 11.614 18.4502 11.6139 -73.2103 50.2968 18.4502 50.2968 -9.8505 GPRESSAVG: 2584200 102.095 14.2627 16.2775 10.6532 -73.5459 48.6593 21.3797 49.4214 -8.74988 TIMING: 2584200 CPU: 8163.33, 0.00312869/step Wall: 8163.33, 0.00312869/step, 2.09953 hours remaining, 234.351562 MB of memory in use. ENERGY: 2584200 3954.8720 20419.5639 14410.7522 259.4284 -203194.4638 2459.1805 0.0000 0.0000 51942.2639 -109748.4030 298.5129 -161690.6669 -109395.2394 299.0820 45.5095 71.9713 760246.7709 6.3935 6.5996 LDB: ============= START OF LOAD BALANCING ============== 8175.86 LDB: ============== END OF LOAD BALANCING =============== 8175.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8175.86 LDB: ============= START OF LOAD BALANCING ============== 8176.18 LDB: Largest compute 7058 load 0.030152 is 15.4% of average load 0.195603 LDB: Average compute 0.004377 is 2.2% of average load 0.195603 LDB: TIME 8176.18 LOAD: AVG 0.195603 MAX 0.214008 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.172 MB LDB: TIME 8176.18 LOAD: AVG 0.195603 MAX 0.214008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.215 MB LDB: TIME 8176.18 LOAD: AVG 0.195603 MAX 0.214008 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.215 MB LDB: ============== END OF LOAD BALANCING =============== 8176.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8176.19 PRESSURE: 2584400 -9.06161 93.8808 -6.68585 93.8814 -350.824 -40.3675 -6.68614 -40.3682 -119.388 GPRESSURE: 2584400 10.1187 15.2092 -70.0437 85.5297 -338.328 -80.9468 -44.1181 23.9364 -45.0948 PRESSAVG: 2584400 61.552 1.44917 -23.963 1.44917 -51.4194 56.8565 -23.9629 56.8565 17.1911 GPRESSAVG: 2584400 61.4472 1.59472 -22.892 2.21165 -50.224 58.4203 -25.0545 57.9013 16.3011 TIMING: 2584400 CPU: 8163.97, 0.00319933/step Wall: 8163.97, 0.00319933/step, 2.14675 hours remaining, 236.523438 MB of memory in use. ENERGY: 2584400 3974.4694 20309.0628 14371.4910 237.3761 -202959.4219 2482.8252 0.0000 0.0000 52064.9053 -109519.2920 299.2177 -161584.1974 -109162.5693 299.0738 -159.7579 -124.4347 762801.1626 9.1079 9.1747 PRESSURE: 2584600 -195.632 -93.6332 -84.2837 -93.6321 -107.072 91.7844 -84.2835 91.7847 277.083 GPRESSURE: 2584600 -160.372 -9.40746 -75.6237 -163.784 -77.4064 31.8797 -108.836 161.842 309.739 PRESSAVG: 2584600 19.2321 -54.8862 39.3226 -54.8862 -57.0833 -0.228288 39.3226 -0.228414 0.600037 GPRESSAVG: 2584600 18.4892 -56.9375 38.1839 -55.0218 -56.2616 -1.45377 39.7472 2.34336 1.19715 TIMING: 2584600 CPU: 8164.6, 0.00314008/step Wall: 8164.6, 0.00314008/step, 2.10682 hours remaining, 236.921875 MB of memory in use. ENERGY: 2584600 3903.2274 20399.7382 14386.8633 246.5645 -203151.1146 2448.4284 0.0000 0.0000 52223.3758 -109542.9169 300.1285 -161766.2927 -109185.4305 299.0332 -8.5402 23.9868 761661.3668 -12.4171 -12.1918 PRESSURE: 2584800 54.0414 63.5362 -237.447 63.5369 -217.683 237.674 -237.448 237.673 -314.917 GPRESSURE: 2584800 82.8844 110.744 -211.182 18.1424 -199.105 165.844 -106.514 252.818 -275.713 PRESSAVG: 2584800 17.3812 -27.9755 -93.0848 -27.9755 -45.447 26.7718 -93.0848 26.7718 15.2069 GPRESSAVG: 2584800 19.1924 -26.6716 -91.3395 -26.5048 -47.1253 26.4371 -94.6448 25.0553 15.2169 TIMING: 2584800 CPU: 8165.22, 0.00313508/step Wall: 8165.22, 0.00313508/step, 2.10329 hours remaining, 236.921875 MB of memory in use. ENERGY: 2584800 4040.4643 20440.8191 14357.3024 245.7528 -203161.8263 2582.9024 0.0000 0.0000 51936.9310 -109557.6543 298.4823 -161494.5853 -109195.2949 299.2450 -159.5194 -130.6445 761516.2108 -4.2863 -4.2387 PRESSURE: 2585000 46.2755 46.8315 124.64 46.8319 112.173 -174.163 124.64 -174.162 67.4355 GPRESSURE: 2585000 76.3064 -60.5776 38.6371 3.5384 157.486 -62.2957 -2.93479 -210.339 71.0099 PRESSAVG: 2585000 -16.0805 37.0463 -2.30921 37.0463 64.1588 34.4298 -2.30924 34.4298 -5.09695 GPRESSAVG: 2585000 -17.4188 38.4896 -4.83623 34.8252 65.2834 33.7321 -1.58399 34.6881 -4.77267 TIMING: 2585000 CPU: 8165.85, 0.00313835/step Wall: 8165.85, 0.00313835/step, 2.10531 hours remaining, 236.921875 MB of memory in use. ENERGY: 2585000 4001.0046 20640.9449 14379.5396 264.7576 -203250.1660 2531.6026 0.0000 0.0000 52018.1526 -109414.1640 298.9490 -161432.3166 -109054.9006 299.2360 75.2945 101.6009 760320.4651 14.3271 14.3640 PRESSURE: 2585200 -181.638 -110.474 -78.4754 -110.474 -44.6035 344.261 -78.4752 344.261 486.282 GPRESSURE: 2585200 -100.787 -12.5248 -42.0369 -140.769 -47.173 406.169 -48.7926 448.506 494.287 PRESSAVG: 2585200 -14.4402 -14.4087 41.663 -14.4088 27.9743 32.054 41.663 32.054 5.49543 GPRESSAVG: 2585200 -14.851 -16.0617 42.7736 -12.2494 29.1778 33.2604 40.7692 32.1437 4.51063 TIMING: 2585200 CPU: 8166.48, 0.00315799/step Wall: 8166.48, 0.00315799/step, 2.11831 hours remaining, 236.921875 MB of memory in use. ENERGY: 2585200 3985.0951 20414.9602 14377.4786 252.3917 -203375.6892 2750.9466 0.0000 0.0000 51930.2754 -109664.5415 298.4440 -161594.8169 -109314.4091 299.2267 86.6802 115.4422 761173.3932 6.3432 6.2791 PRESSURE: 2585400 170.455 38.3202 5.35745 38.3206 -107.779 -18.5493 5.35741 -18.5488 -33.0645 GPRESSURE: 2585400 234.41 75.3766 114.295 158.268 -136.757 11.2396 78.2601 40.0879 12.9068 PRESSAVG: 2585400 16.342 -9.98318 39.511 -9.98315 -24.713 32.826 39.511 32.8261 31.0506 GPRESSAVG: 2585400 17.6999 -8.43016 41.3184 -11.1625 -26.781 33.5554 40.1609 33.4049 31.5433 TIMING: 2585400 CPU: 8167.11, 0.00314748/step Wall: 8167.11, 0.00314748/step, 2.11109 hours remaining, 236.921875 MB of memory in use. ENERGY: 2585400 3980.1210 20423.0787 14468.0499 247.1723 -202900.3848 2181.5194 0.0000 0.0000 51981.5074 -109618.9362 298.7384 -161600.4435 -109266.2898 298.9851 9.8704 36.8533 760800.1833 7.5599 7.4874 PRESSURE: 2585600 138.514 -40.7079 82.619 -40.7076 -13.5181 3.52238 82.6196 3.52248 210.107 GPRESSURE: 2585600 154.326 -51.1086 98.2815 -14.8593 144.284 46.9617 14.7818 -48.8934 132.686 PRESSAVG: 2585600 11.5416 -6.76892 8.16123 -6.76892 4.24575 9.45156 8.16123 9.4515 -8.69428 GPRESSAVG: 2585600 11.7004 -5.70146 7.27607 -7.27489 4.34787 7.69667 8.61545 8.66465 -8.99667 TIMING: 2585600 CPU: 8167.74, 0.00314472/step Wall: 8167.74, 0.00314472/step, 2.10906 hours remaining, 237.125000 MB of memory in use. ENERGY: 2585600 4003.0742 20527.4295 14441.7051 268.0188 -203684.3238 2653.8808 0.0000 0.0000 52117.0057 -109673.2097 299.5171 -161790.2154 -109321.7862 299.0198 111.7007 143.7657 761300.2425 2.3644 2.3505 PRESSURE: 2585800 -47.7455 -10.8977 -119.406 -10.8981 202.573 35.2154 -119.407 35.2154 405.805 GPRESSURE: 2585800 10.5306 -123.126 -195.341 26.9241 230.795 -0.248089 -189.258 -6.99408 410.104 PRESSAVG: 2585800 -4.19382 23.1141 -8.79329 23.1141 21.357 20.0302 -8.79322 20.0302 0.776664 GPRESSAVG: 2585800 -5.53759 20.3242 -9.74517 23.9901 21.651 20.2119 -9.1078 20.1583 2.29051 TIMING: 2585800 CPU: 8168.37, 0.00315106/step Wall: 8168.37, 0.00315106/step, 2.11314 hours remaining, 237.125000 MB of memory in use. ENERGY: 2585800 4009.3043 20350.9596 14471.1507 246.8916 -203272.5799 2788.6918 0.0000 0.0000 51749.6612 -109655.9207 297.4060 -161405.5819 -109300.2156 298.9822 186.8774 217.1432 761886.4293 5.9800 6.1346 PRESSURE: 2586000 -26.104 31.8728 -211.669 31.8729 -160.106 49.0561 -211.668 49.0566 97.562 GPRESSURE: 2586000 -51.5969 19.8521 -231.571 108.664 -82.7471 -69.2734 -68.2743 -22.8831 109.819 PRESSAVG: 2586000 14.6779 -14.5712 -10.5843 -14.5712 -12.1515 -14.7512 -10.5843 -14.7511 5.03864 GPRESSAVG: 2586000 15.8172 -13.5563 -10.2761 -14.5109 -11.9922 -13.9001 -9.92392 -16.0976 3.65264 TIMING: 2586000 CPU: 8169, 0.00313798/step Wall: 8169, 0.00313798/step, 2.10419 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: 2586000 3972.6059 20571.0945 14440.8151 249.4494 -203573.1679 2600.7619 0.0000 0.0000 52065.4901 -109672.9509 299.2211 -161738.4410 -109308.3715 298.7154 -29.5492 -8.1750 760914.0583 2.5217 2.4925 PRESSURE: 2586200 105.833 -97.1714 68.4961 -97.1711 -262.318 -72.314 68.4952 -72.3139 270.629 GPRESSURE: 2586200 45.0865 -54.5583 26.8889 -143.024 -141.81 -58.285 52.8154 -107.248 276.414 PRESSAVG: 2586200 44.4345 -3.68306 -94.6829 -3.6831 -37.6212 -31.763 -94.6829 -31.7629 8.91243 GPRESSAVG: 2586200 44.0798 -3.5997 -96.4121 -5.95969 -37.7352 -32.3773 -93.0797 -31.1822 9.82369 TIMING: 2586200 CPU: 8169.63, 0.00314281/step Wall: 8169.63, 0.00314281/step, 2.10725 hours remaining, 237.125000 MB of memory in use. ENERGY: 2586200 4041.2280 20621.0524 14505.2539 244.1729 -203424.0551 2425.9433 0.0000 0.0000 52059.6630 -109526.7417 299.1876 -161586.4046 -109172.0974 298.7647 38.0479 59.8968 760929.0320 5.2419 5.3894 PRESSURE: 2586400 67.9379 145.354 -209.573 145.354 -40.4807 79.4451 -209.573 79.4455 290.503 GPRESSURE: 2586400 164.208 176.198 -180.325 188.593 -3.24771 63.7002 -255.204 135.643 252.535 PRESSAVG: 2586400 28.8381 29.1579 -5.55327 29.1578 -25.9715 21.232 -5.55333 21.232 16.387 GPRESSAVG: 2586400 29.7166 27.5704 -5.09296 34.5655 -26.0767 20.1263 -7.25031 23.028 16.0667 TIMING: 2586400 CPU: 8170.26, 0.0031393/step Wall: 8170.26, 0.0031393/step, 2.10473 hours remaining, 237.125000 MB of memory in use. ENERGY: 2586400 3998.8548 20536.8435 14455.8989 227.3366 -203234.9513 2429.1042 0.0000 0.0000 51893.3459 -109693.5674 298.2318 -161586.9134 -109337.6297 299.0975 105.9866 137.8318 760888.3700 6.4179 6.5689 PRESSURE: 2586600 347.122 -137.386 -232.553 -137.385 -201.804 -17.0571 -232.552 -17.0561 184.804 GPRESSURE: 2586600 313.142 -70.8969 -229.786 -151.707 -82.7069 7.74073 -157.577 59.6883 163.638 PRESSAVG: 2586600 -1.64332 -12.2387 -26.6779 -12.2388 -9.99573 19.8934 -26.6779 19.8934 -3.75624 GPRESSAVG: 2586600 -2.51928 -9.29741 -25.7124 -15.7265 -9.75709 21.6624 -26.8572 19.1083 -3.05543 TIMING: 2586600 CPU: 8170.89, 0.00314366/step Wall: 8170.89, 0.00314366/step, 2.10747 hours remaining, 237.125000 MB of memory in use. ENERGY: 2586600 4003.3367 20479.9961 14378.8022 229.9843 -203133.4458 2214.1517 0.0000 0.0000 52075.8140 -109751.3608 299.2804 -161827.1748 -109380.7181 298.8965 110.0405 131.3576 759173.2860 -5.1318 -5.1106 PRESSURE: 2586800 290.595 71.4732 269.966 71.4728 125.081 -184.61 269.966 -184.61 192.129 GPRESSURE: 2586800 237.648 9.23331 236.55 54.6515 261.184 -130.675 177.194 -185.727 200.282 PRESSAVG: 2586800 -9.53998 -13.8599 -3.67156 -13.8599 5.43868 -6.39111 -3.67157 -6.39107 -3.45734 GPRESSAVG: 2586800 -9.32592 -16.6304 -4.13466 -12.2717 5.64383 -5.33685 -3.25937 -5.96324 -4.37451 TIMING: 2586800 CPU: 8171.52, 0.00315556/step Wall: 8171.52, 0.00315556/step, 2.11528 hours remaining, 237.125000 MB of memory in use. ENERGY: 2586800 3910.3485 20548.9867 14401.3414 251.2610 -203531.0143 2628.4556 0.0000 0.0000 52093.2722 -109697.3489 299.3808 -161790.6210 -109341.4711 299.1423 202.6016 233.0377 759841.9988 -2.5195 -2.6855 PRESSURE: 2587000 -286.425 -20.0238 113.41 -20.0243 -399.705 121.25 113.409 121.249 -403.542 GPRESSURE: 2587000 -242.445 31.4932 138.42 -58.6427 -443.737 149.962 199.415 184.063 -316.432 PRESSAVG: 2587000 -15.1593 -27.7515 -13.2638 -27.7514 7.2648 -46.6641 -13.2637 -46.6641 7.13195 GPRESSAVG: 2587000 -14.1704 -27.9188 -11.1164 -29.4957 5.97447 -48.2058 -14.8856 -48.1562 7.65002 TIMING: 2587000 CPU: 8172.15, 0.00314415/step Wall: 8172.15, 0.00314415/step, 2.10745 hours remaining, 237.191406 MB of memory in use. ENERGY: 2587000 4087.0853 20560.5279 14478.2843 251.2033 -203219.4777 2226.4178 0.0000 0.0000 52110.0125 -109505.9466 299.4770 -161615.9592 -109152.8455 299.1000 -363.2240 -334.2044 760960.2966 -0.2542 -0.1820 PRESSURE: 2587200 10.2615 224.153 408.361 224.153 -439.407 -96.3871 408.362 -96.3872 16.9042 GPRESSURE: 2587200 -5.65303 194.508 356.866 263.843 -313.093 -116.087 360.778 70.9488 -27.4353 PRESSAVG: 2587200 -33.9961 -33.7704 -13.05 -33.7704 20.1605 51.0491 -13.05 51.0491 11.7486 GPRESSAVG: 2587200 -33.3088 -33.3357 -13.1642 -32.1274 19.2838 53.5833 -13.1798 54.0859 12.1431 TIMING: 2587200 CPU: 8172.77, 0.00313893/step Wall: 8172.77, 0.00313893/step, 2.10378 hours remaining, 237.191406 MB of memory in use. ENERGY: 2587200 3995.0914 20472.8916 14499.3686 247.1530 -203335.4940 2508.0609 0.0000 0.0000 52046.3604 -109566.5681 299.1111 -161612.9285 -109192.8918 298.8849 -137.4136 -115.3939 761264.0991 -0.6957 -0.6273 PRESSURE: 2587400 19.8255 202.685 128.967 202.684 -258.696 -126.863 128.966 -126.865 -169.845 GPRESSURE: 2587400 42.7929 269.89 98.0281 147.458 -183.404 -231.49 105.309 -21.8209 -166.95 PRESSAVG: 2587400 -16.557 -7.05428 -5.10602 -7.05425 18.518 31.8189 -5.10605 31.8189 3.0864 GPRESSAVG: 2587400 -17.6601 -5.87274 -6.77036 -6.49621 20.3832 26.6636 -2.9458 33.1066 2.72676 TIMING: 2587400 CPU: 8173.4, 0.00315129/step Wall: 8173.4, 0.00315129/step, 2.11189 hours remaining, 237.191406 MB of memory in use. ENERGY: 2587400 3965.4500 20465.8309 14472.4952 243.6732 -203533.5257 2611.8044 0.0000 0.0000 52153.3750 -109620.8971 299.7262 -161774.2721 -109263.3549 298.8453 -136.2385 -102.5203 762439.1678 1.6825 1.8166 PRESSURE: 2587600 -253.2 90.9807 50.9368 90.9807 -389.433 -192.91 50.937 -192.909 -768.817 GPRESSURE: 2587600 -195.307 189.116 56.8338 131.963 -412.873 -169.165 75.088 -249.071 -712.239 PRESSAVG: 2587600 -7.35255 25.7194 -5.21628 25.7194 -1.18249 16.3307 -5.21629 16.3308 2.56497 GPRESSAVG: 2587600 -6.19047 25.9102 -5.48817 23.9279 -2.54192 20.1708 -5.16306 15.1343 2.23969 TIMING: 2587600 CPU: 8174.03, 0.00315078/step Wall: 8174.03, 0.00315078/step, 2.11137 hours remaining, 237.191406 MB of memory in use. ENERGY: 2587600 3923.3103 20319.2566 14468.8640 238.9275 -203202.3924 2434.0252 0.0000 0.0000 52024.8906 -109793.1181 298.9878 -161818.0087 -109437.9768 298.6886 -470.4833 -440.1394 762072.5791 -1.9900 -2.1642 PRESSURE: 2587800 -114.808 36.912 -54.8328 36.9122 -218.998 41.2313 -54.8326 41.2313 -410.333 GPRESSURE: 2587800 -56.8868 40.011 42.3955 26.1726 -287.209 44.1622 47.9377 92.0368 -310.724 PRESSAVG: 2587800 30.8955 -49.4842 -34.7409 -49.4842 -18.7001 -17.1005 -34.7409 -17.1006 10.9943 GPRESSAVG: 2587800 31.0391 -48.521 -31.7948 -48.8125 -18.2013 -17.9747 -35.822 -16.6907 10.5639 TIMING: 2587800 CPU: 8174.66, 0.00314601/step Wall: 8174.66, 0.00314601/step, 2.108 hours remaining, 237.191406 MB of memory in use. ENERGY: 2587800 3953.1133 20286.9470 14464.5341 246.5748 -203312.0438 2670.8299 0.0000 0.0000 51781.1149 -109908.9297 297.5868 -161690.0447 -109539.0956 298.5997 -248.0461 -218.2733 761183.6256 7.7299 7.8006 PRESSURE: 2588000 -22.2667 -111.154 -75.0176 -111.153 164.115 -107.485 -75.0172 -107.485 -75.6009 GPRESSURE: 2588000 76.1182 -60.6218 -84.0668 -178.054 212.075 -27.3378 -179.341 -147.776 -115.32 PRESSAVG: 2588000 -3.93245 4.34049 -17.8377 4.34045 46.7347 -28.2268 -17.8377 -28.2269 5.56835 GPRESSAVG: 2588000 -4.57463 2.6277 -18.6201 2.65733 46.639 -28.4883 -17.145 -30.3981 5.80033 TIMING: 2588000 CPU: 8175.29, 0.00314595/step Wall: 8175.29, 0.00314595/step, 2.10778 hours remaining, 237.191406 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: 2588000 3970.7215 20363.2348 14524.6741 258.7999 -203330.1635 2656.3474 0.0000 0.0000 51898.4108 -109657.9752 298.2609 -161556.3860 -109302.3093 298.1696 22.0825 57.6243 761250.0101 16.1235 15.9549 PRESSURE: 2588200 -211.368 249.097 105.202 249.097 47.098 16.6448 105.203 16.6447 323.166 GPRESSURE: 2588200 -100.024 220.922 159.649 187.676 -7.42573 -0.813902 13.6282 -3.11079 328.374 PRESSAVG: 2588200 -16.3222 -29.5579 -38.1874 -29.5579 31.2424 14.0719 -38.1874 14.0719 11.0223 GPRESSAVG: 2588200 -15.1827 -29.757 -38.4362 -28.4284 31.4954 14.5628 -38.6088 15.6997 9.69922 TIMING: 2588200 CPU: 8175.92, 0.0031291/step Wall: 8175.92, 0.0031291/step, 2.09632 hours remaining, 237.191406 MB of memory in use. ENERGY: 2588200 3980.6214 20404.6961 14440.9678 256.8254 -203529.0267 2612.2075 0.0000 0.0000 52047.2361 -109786.4724 299.1162 -161833.7085 -109435.0437 298.5514 52.9653 73.6413 759966.1933 8.6475 8.6706 LDB: ============= START OF LOAD BALANCING ============== 8188.45 LDB: ============== END OF LOAD BALANCING =============== 8188.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8188.45 LDB: ============= START OF LOAD BALANCING ============== 8188.76 LDB: Largest compute 7058 load 0.030399 is 15.6% of average load 0.195415 LDB: Average compute 0.004385 is 2.2% of average load 0.195415 LDB: TIME 8188.77 LOAD: AVG 0.195415 MAX 0.214677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.414 MB LDB: TIME 8188.77 LOAD: AVG 0.195415 MAX 0.214677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: TIME 8188.77 LOAD: AVG 0.195415 MAX 0.214677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: ============== END OF LOAD BALANCING =============== 8188.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8188.77 PRESSURE: 2588400 -284.685 -257.925 -68.3441 -257.925 45.6107 -60.4801 -68.3448 -60.4805 -421.142 GPRESSURE: 2588400 -233.366 -185.207 -143.321 -245.381 36.6682 -78.6594 115.006 -158.287 -389.909 PRESSAVG: 2588400 -73.903 -25.3595 -35.5884 -25.3596 52.4068 -58.4294 -35.5884 -58.4294 -13.21 GPRESSAVG: 2588400 -74.839 -25.3162 -35.4501 -25.3993 51.3037 -58.5611 -34.4588 -59.22 -10.859 TIMING: 2588400 CPU: 8176.56, 0.00319765/step Wall: 8176.56, 0.00319765/step, 2.14207 hours remaining, 234.804688 MB of memory in use. ENERGY: 2588400 3941.2384 20334.3059 14367.3218 246.4331 -203462.8892 2552.5169 0.0000 0.0000 52179.4557 -109841.6175 299.8760 -162021.0732 -109473.5694 298.5889 -220.0722 -195.5356 760474.5609 -11.5687 -11.4647 PRESSURE: 2588600 189.522 -105.821 153.168 -105.821 17.4836 -74.8241 153.169 -74.8247 94.486 GPRESSURE: 2588600 273.871 -39.2892 15.8455 -198.372 53.0091 -89.1458 158.32 -47.3815 73.2703 PRESSAVG: 2588600 -26.4564 -45.129 -32.1962 -45.129 6.85501 -59.4041 -32.1962 -59.4041 16.5203 GPRESSAVG: 2588600 -26.493 -43.6025 -31.5441 -43.8222 7.38218 -59.5313 -34.8555 -58.6788 15.622 TIMING: 2588600 CPU: 8177.19, 0.00314799/step Wall: 8177.19, 0.00314799/step, 2.10863 hours remaining, 234.804688 MB of memory in use. ENERGY: 2588600 3975.2777 20406.1082 14459.8038 250.7147 -203680.6255 2739.9812 0.0000 0.0000 51970.6482 -109878.0916 298.6760 -161848.7398 -109506.9245 298.3686 100.4973 133.3833 758465.3279 -1.0270 -1.1630 PRESSURE: 2588800 -391.582 -149.929 -96.7806 -149.929 -193.679 -168.259 -96.7801 -168.26 -607.595 GPRESSURE: 2588800 -359.165 -136.395 -94.4519 -1.9 -199.554 -135.583 -12.2721 -249.426 -537.443 PRESSAVG: 2588800 34.0603 -14.0256 34.5285 -14.0256 -24.7792 3.58364 34.5285 3.58368 10.2212 GPRESSAVG: 2588800 33.9339 -15.4546 33.9317 -13.6988 -24.5593 2.54447 35.0425 2.56974 10.9164 TIMING: 2588800 CPU: 8177.81, 0.00313743/step Wall: 8177.81, 0.00313743/step, 2.10138 hours remaining, 234.804688 MB of memory in use. ENERGY: 2588800 3959.3634 20452.1852 14418.2378 258.6450 -203456.3236 2278.0903 0.0000 0.0000 52174.4596 -109915.3423 299.8473 -162089.8019 -109555.5300 298.4672 -397.6187 -365.3874 760621.8448 6.5008 6.7637 PRESSURE: 2589000 -176.068 -126.504 28.2564 -126.504 -146.131 206.59 28.2563 206.59 -194.939 GPRESSURE: 2589000 -112.081 -58.4322 9.58926 -200.176 -107.178 253.92 155.252 125.369 -210.611 PRESSAVG: 2589000 -28.9948 -42.3909 11.8316 -42.3908 -2.40674 0.0909933 11.8315 0.09102 -6.97379 GPRESSAVG: 2589000 -27.9686 -42.6983 11.5062 -44.8256 -1.45813 1.99297 14.7181 0.804445 -8.35463 TIMING: 2589000 CPU: 8178.44, 0.00314563/step Wall: 8178.44, 0.00314563/step, 2.1067 hours remaining, 234.804688 MB of memory in use. ENERGY: 2589000 4007.8886 20532.0278 14419.3187 249.2363 -202934.8473 2089.2128 0.0000 0.0000 51833.1925 -109803.9705 297.8861 -161637.1631 -109445.3714 298.7629 -172.3795 -143.2900 761465.4927 -12.7918 -12.5938 PRESSURE: 2589200 -172.79 -64.5677 -240.743 -64.5686 -249.862 31.3548 -240.743 31.3549 -128.725 GPRESSURE: 2589200 -63.5582 -107.476 -180.061 -49.418 -222.416 55.7797 -229.78 -85.5232 -178.047 PRESSAVG: 2589200 1.35287 -44.6207 -24.3502 -44.6206 7.49112 -12.4067 -24.3501 -12.4067 -14.4769 GPRESSAVG: 2589200 1.67203 -43.1 -22.9498 -42.9458 6.16843 -13.5446 -24.7675 -12.7009 -13.3494 TIMING: 2589200 CPU: 8179.07, 0.00312775/step Wall: 8179.07, 0.00312775/step, 2.09455 hours remaining, 234.804688 MB of memory in use. ENERGY: 2589200 3932.5439 20446.2617 14389.4449 247.4941 -202832.9803 2128.6718 0.0000 0.0000 51702.1674 -109986.3967 297.1331 -161688.5641 -109628.1664 298.5807 -183.7919 -154.6739 762024.2065 -1.8776 -1.8363 PRESSURE: 2589400 238.46 -90.8469 -151.545 -90.8471 114.013 -213.009 -151.545 -213.009 277.078 GPRESSURE: 2589400 273.128 -94.2232 -197.274 -167.79 199.449 -281.935 -190.372 -141.317 226.056 PRESSAVG: 2589400 -0.46142 -52.7475 18.3655 -52.7474 31.3629 -17.0311 18.3655 -17.031 1.27998 GPRESSAVG: 2589400 -1.01175 -54.0862 16.9016 -51.7851 32.8641 -15.765 15.6259 -18.7349 0.529874 TIMING: 2589400 CPU: 8179.7, 0.00315078/step Wall: 8179.7, 0.00315078/step, 2.1098 hours remaining, 234.804688 MB of memory in use. ENERGY: 2589400 3933.7773 20433.7286 14428.0928 254.6640 -203459.9502 2427.8444 0.0000 0.0000 51757.4095 -110224.4336 297.4505 -161981.8431 -109860.3941 297.8371 209.8502 232.8777 759681.1852 10.7272 10.7941 PRESSURE: 2589600 -27.3939 -304.846 -134.359 -304.846 39.4304 -92.3558 -134.358 -92.3563 -129.107 GPRESSURE: 2589600 40.1606 -106.014 -202.968 -205.963 69.6045 -160.028 11.5458 -19.2226 -130.554 PRESSAVG: 2589600 -35.8026 -74.0418 -39.7447 -74.0418 44.6797 0.544251 -39.7447 0.544282 -20.8139 GPRESSAVG: 2589600 -35.6967 -72.9128 -39.5746 -75.0293 44.1117 -0.556052 -39.344 1.27989 -20.5111 TIMING: 2589600 CPU: 8180.33, 0.00315217/step Wall: 8180.33, 0.00315217/step, 2.11055 hours remaining, 234.804688 MB of memory in use. ENERGY: 2589600 3940.8033 20579.9909 14441.0880 248.1527 -203961.7802 2405.4265 0.0000 0.0000 51938.7839 -110407.5349 298.4929 -162346.3188 -110055.4024 297.5122 -39.0234 -6.9296 759067.2846 -3.9789 -4.0321 PRESSURE: 2589800 432.088 229.995 78.5647 229.996 301.529 -158.851 78.5654 -158.852 149.596 GPRESSURE: 2589800 474.86 21.6127 112.427 80.0463 253.255 -113.178 9.45186 -275.616 237.894 PRESSAVG: 2589800 20.4924 -75.6741 -65.9134 -75.674 -22.1067 45.7392 -65.9134 45.7392 13.4555 GPRESSAVG: 2589800 20.9797 -77.089 -66.9091 -75.374 -23.1876 45.4631 -64.9306 46.236 14.6025 TIMING: 2589800 CPU: 8180.95, 0.0031243/step Wall: 8180.95, 0.0031243/step, 2.09172 hours remaining, 234.804688 MB of memory in use. ENERGY: 2589800 4022.3405 20465.8045 14423.5453 242.8242 -204261.4818 3006.1924 0.0000 0.0000 51836.3567 -110264.4181 297.9043 -162100.7748 -109896.9039 297.5472 294.4045 322.0027 759987.8715 3.9470 4.1315 PRESSURE: 2590000 217.184 45.7579 -124.195 45.7585 -157.768 240.668 -124.195 240.667 -80.9077 GPRESSURE: 2590000 194.17 50.9163 -42.0703 -53.9825 -70.9105 234.173 -132.033 94.4988 -78.5395 PRESSAVG: 2590000 62.6881 -74.6132 -19.8105 -74.6132 -44.9436 32.4614 -19.8105 32.4614 -4.73121 GPRESSAVG: 2590000 62.7023 -70.7033 -19.0125 -75.2159 -43.5497 32.0142 -19.3399 30.7592 -6.70793 TIMING: 2590000 CPU: 8181.58, 0.00313801/step Wall: 8181.58, 0.00313801/step, 2.10072 hours remaining, 234.804688 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: 2590000 3890.8334 20632.9205 14370.7708 258.3746 -203761.0810 2522.2132 0.0000 0.0000 51926.6334 -110159.3352 298.4231 -162085.9685 -109794.4394 298.2203 -7.1641 14.9068 760953.3290 4.3378 4.1482 PRESSURE: 2590200 -313.623 -196.075 72.4956 -196.076 19.8777 65.1319 72.4942 65.1318 368.03 GPRESSURE: 2590200 -323.718 -197.03 44.8583 -136.898 179.455 37.2156 79.7387 135.594 310.046 PRESSAVG: 2590200 5.13453 -28.4948 -37.9963 -28.4949 -10.219 -30.7766 -37.9963 -30.7765 -1.34244 GPRESSAVG: 2590200 4.56365 -32.3069 -37.2645 -26.7167 -10.3673 -29.9716 -38.0834 -29.3732 -1.12844 TIMING: 2590200 CPU: 8182.21, 0.00313341/step Wall: 8182.21, 0.00313341/step, 2.09747 hours remaining, 234.804688 MB of memory in use. ENERGY: 2590200 3982.0532 20475.0758 14422.9308 237.2863 -203988.3382 3002.6475 0.0000 0.0000 52013.0343 -109855.3102 298.9196 -161868.3445 -109494.4693 298.2646 24.7614 55.2609 761725.1970 -2.1423 -2.3107 PRESSURE: 2590400 201.433 156.718 -14.5522 156.717 -150.687 -194.74 -14.5522 -194.74 446.944 GPRESSURE: 2590400 171.783 138.256 -12.5886 150.734 -10.0562 -288.724 -40.8657 -279.766 427.479 PRESSAVG: 2590400 18.843 -44.0116 2.60076 -44.0117 36.1687 4.15635 2.6007 4.15632 -0.682353 GPRESSAVG: 2590400 18.5507 -41.7461 2.43998 -45.9474 36.5482 4.31901 5.4237 3.09571 -0.469945 TIMING: 2590400 CPU: 8182.84, 0.00314522/step Wall: 8182.84, 0.00314522/step, 2.1052 hours remaining, 234.804688 MB of memory in use. ENERGY: 2590400 3966.3998 20486.0811 14418.9314 258.6360 -203960.2986 2717.2099 0.0000 0.0000 52149.6979 -109963.3425 299.7050 -162113.0404 -109598.0412 298.3410 165.8967 196.4018 760430.3687 18.1098 18.2096 PRESSURE: 2590600 169.893 -328.124 -105.632 -328.123 270.226 -1.6206 -105.632 -1.62111 -225.449 GPRESSURE: 2590600 152.713 -285.027 -113.314 -263.425 252.279 76.9068 41.1178 194.813 -108.633 PRESSAVG: 2590600 47.7532 -57.6635 -6.23787 -57.6634 -54.0277 -5.34235 -6.23783 -5.34236 7.03213 GPRESSAVG: 2590600 47.509 -59.92 -5.59845 -54.5388 -55.1203 -6.08603 -9.41759 -3.78936 7.57861 TIMING: 2590600 CPU: 8183.47, 0.00314745/step Wall: 8183.47, 0.00314745/step, 2.10652 hours remaining, 234.804688 MB of memory in use. ENERGY: 2590600 4001.2423 20583.5047 14413.4613 235.2518 -203664.2247 2827.7675 0.0000 0.0000 51958.9631 -109644.0341 298.6089 -161602.9972 -109279.8827 298.5007 71.5566 98.7866 761353.5670 0.2525 -0.0109 PRESSURE: 2590800 158.962 -61.498 14.7549 -61.4982 -327.366 -2.07647 14.7545 -2.07596 -92.6978 GPRESSURE: 2590800 137.294 -74.5825 -18.941 -60.0578 -298.642 21.5819 36.1145 0.738425 -36.4593 PRESSAVG: 2590800 88.1345 -40.5065 -38.9377 -40.5065 -20.3235 -15.5683 -38.9376 -15.5683 -8.91878 GPRESSAVG: 2590800 88.272 -38.5677 -38.406 -42.0129 -19.8786 -14.3938 -37.4172 -15.6871 -9.25536 TIMING: 2590800 CPU: 8184.1, 0.00314384/step Wall: 8184.1, 0.00314384/step, 2.10393 hours remaining, 234.804688 MB of memory in use. ENERGY: 2590800 3958.4763 20669.9299 14478.6261 256.9036 -203310.2837 2320.2220 0.0000 0.0000 52064.9802 -109561.1457 299.2182 -161626.1259 -109203.2413 299.0774 -87.0339 -65.9360 760324.9871 19.6308 19.7127 PRESSURE: 2591000 40.6521 -79.8513 -66.4975 -79.8505 130.701 87.6337 -66.4972 87.6328 -276.848 GPRESSURE: 2591000 35.7069 -39.1639 -179.122 -65.1365 228.471 116.57 -31.248 15.2723 -277.833 PRESSAVG: 2591000 43.7358 -21.727 -53.9822 -21.7269 -3.30247 26.9531 -53.9823 26.9531 6.97212 GPRESSAVG: 2591000 44.5512 -21.7166 -54.2239 -22.2854 -2.82101 26.2752 -55.1721 27.8892 5.60868 TIMING: 2591000 CPU: 8184.72, 0.00312724/step Wall: 8184.72, 0.00312724/step, 2.09265 hours remaining, 234.804688 MB of memory in use. ENERGY: 2591000 4004.8809 20465.6297 14463.5664 238.1894 -203256.4937 2704.6400 0.0000 0.0000 51883.6680 -109495.9193 298.1762 -161379.5874 -109139.7033 299.0264 -35.1651 -4.5517 760630.5056 15.8018 15.7796 PRESSURE: 2591200 49.3848 -113.141 85.0927 -113.142 303.655 -66.1057 85.0936 -66.1069 359.594 GPRESSURE: 2591200 133.608 -182.774 21.6014 -104.317 326.983 32.1246 -21.9253 -77.8114 353.134 PRESSAVG: 2591200 1.24458 -15.6567 -42.7677 -15.6566 -37.7009 31.2565 -42.7677 31.2565 6.78046 GPRESSAVG: 2591200 0.917933 -17.8315 -42.4132 -15.7606 -37.2637 32.491 -42.5997 30.3789 6.51187 TIMING: 2591200 CPU: 8185.35, 0.00314652/step Wall: 8185.35, 0.00314652/step, 2.10537 hours remaining, 234.804688 MB of memory in use. ENERGY: 2591200 4032.0056 20416.3722 14514.0369 247.4811 -203379.2946 2594.4007 0.0000 0.0000 51942.0601 -109632.9379 298.5117 -161574.9981 -109270.0347 298.9712 237.5444 271.2419 760417.2421 -9.8920 -9.9446 PRESSURE: 2591400 57.8052 -60.0336 161.677 -60.0342 227.341 46.4441 161.678 46.4441 -153.166 GPRESSURE: 2591400 90.4325 -15.4363 178.032 -44.0637 228.395 19.3357 82.9304 114.581 -98.3371 PRESSAVG: 2591400 -15.5806 -64.9789 -40.2967 -64.9788 25.0799 53.1366 -40.2967 53.1366 7.92 GPRESSAVG: 2591400 -15.4902 -63.9849 -42.0937 -62.5187 23.6275 50.9343 -42.5804 52.4609 8.64631 TIMING: 2591400 CPU: 8185.98, 0.0031249/step Wall: 8185.98, 0.0031249/step, 2.09073 hours remaining, 234.804688 MB of memory in use. ENERGY: 2591400 4047.7521 20568.1923 14382.0956 267.9130 -203731.4312 2641.6085 0.0000 0.0000 52194.7822 -109629.0876 299.9641 -161823.8698 -109266.0015 299.0104 43.9934 73.4968 760966.4955 5.8064 5.5945 PRESSURE: 2591600 257.649 175.127 -137.155 175.126 416.03 -195.985 -137.155 -195.984 -238.802 GPRESSURE: 2591600 282.904 212.683 -151.821 215.203 433.098 -148.29 -115.868 -243.641 -210.428 PRESSAVG: 2591600 47.8889 -33.7369 -32.5678 -33.7369 -24.7303 1.62542 -32.5678 1.62546 2.18287 GPRESSAVG: 2591600 45.8901 -31.9288 -30.6423 -37.0962 -24.1257 4.7688 -30.7388 -0.288953 3.28385 TIMING: 2591600 CPU: 8186.6, 0.0031248/step Wall: 8186.6, 0.0031248/step, 2.09049 hours remaining, 234.804688 MB of memory in use. ENERGY: 2591600 4017.9674 20566.7702 14454.3070 239.9762 -203401.7137 2581.7081 0.0000 0.0000 51862.7056 -109678.2792 298.0557 -161540.9848 -109319.5219 299.4029 144.9590 168.5249 760375.7481 8.4471 8.3494 PRESSURE: 2591800 -424.929 127.324 211.339 127.324 55.4902 -28.1065 211.339 -28.107 -44.9506 GPRESSURE: 2591800 -339.797 216.621 208.946 115.604 38.5192 -30.1682 269.277 46.7153 -46.9985 PRESSAVG: 2591800 1.91457 -21.8358 -2.73087 -21.8359 22.4756 24.7891 -2.73084 24.7891 -6.79093 GPRESSAVG: 2591800 2.16513 -22.4009 -3.20725 -20.9812 23.1223 22.6023 -3.23311 27.2415 -8.1156 TIMING: 2591800 CPU: 8187.23, 0.00313736/step Wall: 8187.23, 0.00313736/step, 2.09872 hours remaining, 234.804688 MB of memory in use. ENERGY: 2591800 3981.7726 20733.6579 14454.9270 243.2469 -203623.9992 2574.5509 0.0000 0.0000 51987.7836 -109648.0602 298.7745 -161635.8438 -109285.4155 299.0372 -138.1299 -116.0920 760846.7757 5.8664 5.7240 PRESSURE: 2592000 369.062 173.579 -281.713 173.579 -124.061 -5.27454 -281.713 -5.27421 630.776 GPRESSURE: 2592000 385.964 244.142 -247.639 251.8 -3.28557 140.697 -277.53 -0.965056 545.551 PRESSAVG: 2592000 4.43077 16.9593 13.2885 16.9593 -30.0221 4.40099 13.2885 4.40099 16.0685 GPRESSAVG: 2592000 4.20799 18.0461 12.3443 17.2666 -30.113 4.54804 14.5538 4.23555 15.9599 TIMING: 2592000 CPU: 8187.85, 0.0031329/step Wall: 8187.85, 0.0031329/step, 2.09556 hours remaining, 234.804688 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: 2592000 4047.5699 20522.0453 14462.3342 252.3873 -203794.6478 2706.0629 0.0000 0.0000 52231.6295 -109572.6187 300.1759 -161804.2482 -109205.2541 299.8431 291.9255 309.4099 759735.3667 -3.1743 -3.3151 PRESSURE: 2592200 -178.418 -73.2893 -87.7288 -73.2894 -446.403 -106.331 -87.7297 -106.331 -22.0608 GPRESSURE: 2592200 -172.878 -37.7012 -72.5828 -55.8148 -429.967 4.02105 -141.403 51.892 50.3769 PRESSAVG: 2592200 24.1419 -11.4679 -33.9089 -11.4679 -38.6544 42.1048 -33.9089 42.1048 -21.9534 GPRESSAVG: 2592200 25.4834 -13.9488 -34.1059 -10.0652 -39.6733 42.393 -34.1825 42.0691 -21.9859 TIMING: 2592200 CPU: 8188.49, 0.00315193/step Wall: 8188.49, 0.00315193/step, 2.10811 hours remaining, 234.804688 MB of memory in use. ENERGY: 2592200 3973.5485 20434.6288 14483.2816 245.3044 -203268.1812 2439.7474 0.0000 0.0000 51933.5924 -109758.0781 298.4631 -161691.6705 -109391.1843 299.3200 -215.6274 -184.1559 761784.2734 -12.1553 -12.0586 LDB: ============= START OF LOAD BALANCING ============== 8201.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8201.02 LDB: =============== DONE WITH MIGRATION ================ 8201.02 LDB: ============= START OF LOAD BALANCING ============== 8201.34 LDB: Largest compute 7049 load 0.029782 is 15.2% of average load 0.195486 LDB: Average compute 0.004400 is 2.3% of average load 0.195486 LDB: TIME 8201.34 LOAD: AVG 0.195486 MAX 0.215712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.066 MB LDB: TIME 8201.34 LOAD: AVG 0.195486 MAX 0.215712 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: TIME 8201.34 LOAD: AVG 0.195486 MAX 0.215712 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.199 MB LDB: ============== END OF LOAD BALANCING =============== 8201.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8201.35 PRESSURE: 2592400 8.04453 -217.307 45.8229 -217.307 -100.359 66.6574 45.8226 66.6587 -172.509 GPRESSURE: 2592400 99.2544 -254.223 52.2601 -198.832 -160.076 104.382 50.5663 80.4402 -130.35 PRESSAVG: 2592400 80.1062 -90.1306 -14.0146 -90.1305 -18.3859 -44.9332 -14.0147 -44.9332 -45.8093 GPRESSAVG: 2592400 79.822 -88.5962 -12.8407 -93.2555 -17.9785 -45.1556 -16.4806 -44.4091 -46.2011 TIMING: 2592400 CPU: 8189.13, 0.00323696/step Wall: 8189.13, 0.00323696/step, 2.16481 hours remaining, 235.644531 MB of memory in use. ENERGY: 2592400 4019.4183 20559.1885 14494.1797 240.3082 -203849.2169 2919.7511 0.0000 0.0000 51603.7952 -110012.5759 296.5677 -161616.3711 -109661.6559 298.7330 -88.2745 -63.7236 760089.5513 5.3037 5.2141 PRESSURE: 2592600 -68.4376 11.6177 137.905 11.6171 -234.327 -54.1238 137.904 -54.1247 185.279 GPRESSURE: 2592600 -9.0171 5.92797 136.711 44.9377 -192.726 -129.407 164.592 8.37244 177.56 PRESSAVG: 2592600 48.0989 -20.6056 -64.1437 -20.6057 -45.861 35.2989 -64.1437 35.2989 -14.0131 GPRESSAVG: 2592600 47.7424 -21.1545 -65.9092 -17.816 -45.2948 35.6183 -62.48 34.5686 -13.7697 TIMING: 2592600 CPU: 8189.76, 0.0031386/step Wall: 8189.76, 0.0031386/step, 2.09885 hours remaining, 235.847656 MB of memory in use. ENERGY: 2592600 3937.5586 20610.0846 14482.1623 255.4003 -203766.8236 2713.3653 0.0000 0.0000 51859.4366 -109908.8160 298.0369 -161768.2526 -109549.4081 298.2477 -39.1619 -8.0609 761022.9042 -3.9251 -3.7740 PRESSURE: 2592800 291.985 50.6182 -15.0928 50.6184 -43.6071 22.1786 -15.0933 22.1792 -452.1 GPRESSURE: 2592800 271.317 -23.2187 -21.2395 42.1993 25.6288 106.686 2.29842 -128.749 -420.713 PRESSAVG: 2592800 12.968 -17.5088 -4.42855 -17.5087 -11.7145 -32.6256 -4.42857 -32.6256 -8.71456 GPRESSAVG: 2592800 13.3117 -16.8393 -3.59815 -20.2016 -12.5956 -31.8689 -1.04408 -32.6573 -8.59795 TIMING: 2592800 CPU: 8190.39, 0.00314701/step Wall: 8190.39, 0.00314701/step, 2.1043 hours remaining, 235.847656 MB of memory in use. ENERGY: 2592800 3935.3498 20532.8147 14500.3631 253.0792 -203640.4118 2628.2815 0.0000 0.0000 52084.6498 -109705.8737 299.3312 -161790.5236 -109353.3577 298.5611 -67.9072 -41.2556 760798.5647 -2.4870 -2.6273 PRESSURE: 2593000 -161.11 25.4005 -231.397 25.401 125.326 -21.3445 -231.397 -21.3443 -444.57 GPRESSURE: 2593000 -99.4338 48.4498 -230.504 -37.8351 92.7273 99.9475 -239.717 65.0332 -404.875 PRESSAVG: 2593000 43.0178 -18.9231 -3.59795 -18.9231 -75.4953 -27.3842 -3.59793 -27.3843 -2.41789 GPRESSAVG: 2593000 43.6745 -17.5714 -2.20329 -17.8409 -75.9149 -26.4147 -8.34408 -26.5189 -2.40522 TIMING: 2593000 CPU: 8191.02, 0.00315019/step Wall: 8191.02, 0.00315019/step, 2.10625 hours remaining, 235.847656 MB of memory in use. ENERGY: 2593000 4047.1956 20577.2067 14506.5316 241.7000 -203572.4106 2604.4131 0.0000 0.0000 52021.7756 -109573.5880 298.9699 -161595.3635 -109206.3268 298.9451 -160.1179 -137.1938 761508.0057 -11.6318 -11.5485 PRESSURE: 2593200 193.283 -118.972 -20.5945 -118.974 -38.0275 -300.761 -20.5948 -300.759 155.474 GPRESSURE: 2593200 244.538 -132.751 -30.1128 -218.408 -19.8971 -216.769 25.6526 -228.538 148.884 PRESSAVG: 2593200 27.4638 -69.2739 -28.1257 -69.274 -20.395 -54.1838 -28.1257 -54.1838 16.6512 GPRESSAVG: 2593200 27.3386 -69.6314 -29.7064 -69.8163 -19.1052 -56.0323 -26.1669 -54.9712 16.0993 TIMING: 2593200 CPU: 8191.64, 0.0031241/step Wall: 8191.64, 0.0031241/step, 2.08863 hours remaining, 235.847656 MB of memory in use. ENERGY: 2593200 3997.9282 20539.2862 14465.6512 236.4289 -203831.6751 2907.4317 0.0000 0.0000 52259.4698 -109425.4790 300.3359 -161684.9488 -109051.7020 299.5307 103.5764 124.5081 761060.4447 7.9067 8.1109 PRESSURE: 2593400 -92.3426 98.5707 -281.156 98.5705 185.836 184.608 -281.157 184.607 -198.531 GPRESSURE: 2593400 -58.0584 110.328 -259.546 28.4129 189.877 104.421 -194.565 57.0182 -152.36 PRESSAVG: 2593400 59.7134 -14.5866 -11.5309 -14.5865 -25.6258 63.9113 -11.5309 63.9113 -1.32505 GPRESSAVG: 2593400 58.8036 -16.3191 -10.3833 -14.6374 -26.2989 64.876 -13.9034 63.7312 0.135803 TIMING: 2593400 CPU: 8192.28, 0.00315628/step Wall: 8192.28, 0.00315628/step, 2.10998 hours remaining, 235.847656 MB of memory in use. ENERGY: 2593400 3994.2954 20605.8927 14529.3152 257.8716 -203718.9124 2729.9208 0.0000 0.0000 52084.6546 -109516.9621 299.3312 -161601.6167 -109149.3023 299.1719 -35.0126 -6.8471 762178.5919 10.9209 10.8801 PRESSURE: 2593600 -123.909 124.44 -193.841 124.441 -22.8624 5.66753 -193.841 5.66714 -248.545 GPRESSURE: 2593600 -157.289 98.8137 -126.895 131.726 33.6967 116.875 -170.343 -152.91 -186.808 PRESSAVG: 2593600 -13.8832 -13.6917 -18.4819 -13.6918 14.8162 51.674 -18.4819 51.674 15.2751 GPRESSAVG: 2593600 -12.8009 -13.9199 -19.1882 -12.7378 14.0195 52.6155 -15.6237 51.5417 14.452 TIMING: 2593600 CPU: 8192.91, 0.00314939/step Wall: 8192.91, 0.00314939/step, 2.10519 hours remaining, 235.847656 MB of memory in use. ENERGY: 2593600 3965.1996 20554.5767 14397.6927 250.8673 -203080.7326 2446.9799 0.0000 0.0000 52025.1551 -109440.2613 298.9893 -161465.4164 -109085.1743 298.9558 -131.7720 -103.4669 763051.5893 5.4027 5.2235 PRESSURE: 2593800 -307.625 29.1731 155.794 29.1736 -34.7731 104.996 155.793 104.996 -33.2996 GPRESSURE: 2593800 -178.469 22.9328 193.585 48.3113 4.52475 64.076 94.1963 -1.59109 -99.1894 PRESSAVG: 2593800 -10.5774 -6.35004 9.88111 -6.35004 -23.0636 49.6453 9.8811 49.6454 -28.5439 GPRESSAVG: 2593800 -11.0625 -8.19498 8.99169 -6.58185 -23.0432 48.4068 9.08125 49.912 -28.3472 TIMING: 2593800 CPU: 8193.54, 0.00315198/step Wall: 8193.54, 0.00315198/step, 2.10675 hours remaining, 235.847656 MB of memory in use. ENERGY: 2593800 3988.1808 20391.7094 14432.5805 247.9341 -203229.6305 2521.8704 0.0000 0.0000 52098.9312 -109548.4241 299.4133 -161647.3553 -109182.7904 299.0137 -125.2325 -91.0445 763505.4920 -20.7283 -20.8176 PRESSURE: 2594000 -200.382 -83.1856 162.339 -83.1858 56.9753 -185.359 162.339 -185.358 -200.733 GPRESSURE: 2594000 -191.864 -72.9162 130.997 -2.46552 63.7937 -161.72 167.218 6.89688 -133.549 PRESSAVG: 2594000 19.7581 -5.86306 0.688243 -5.86306 -21.1271 -6.54182 0.688288 -6.54185 9.14521 GPRESSAVG: 2594000 19.4489 -2.94163 2.00885 -5.9306 -20.9639 -6.73116 0.86375 -5.06314 8.89195 TIMING: 2594000 CPU: 8194.17, 0.00315205/step Wall: 8194.17, 0.00315205/step, 2.10662 hours remaining, 235.847656 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: 2594000 4060.8983 20452.5863 14551.7389 266.1141 -203751.8304 2603.9783 0.0000 0.0000 52216.8438 -109599.6708 300.0909 -161816.5146 -109249.3899 299.0770 -114.7131 -87.2064 762310.6110 2.5920 2.4590 PRESSURE: 2594200 123.378 -71.283 -66.408 -71.2844 -525.134 -84.9163 -66.4086 -84.9165 -96.0233 GPRESSURE: 2594200 128.65 -7.99828 -25.3221 -142.973 -323.807 -125.353 -55.5676 11.9975 -215.344 PRESSAVG: 2594200 19.6941 -31.6824 15.7177 -31.6823 -37.4793 -35.4117 15.7176 -35.4117 -29.3028 GPRESSAVG: 2594200 19.0432 -31.0003 15.8502 -32.4518 -37.3378 -35.4861 13.8914 -38.4382 -28.6849 TIMING: 2594200 CPU: 8194.8, 0.00315013/step Wall: 8194.8, 0.00315013/step, 2.10516 hours remaining, 235.847656 MB of memory in use. ENERGY: 2594200 4040.9321 20413.1790 14431.3287 247.1290 -203065.6456 2521.6404 0.0000 0.0000 51748.3779 -109663.0585 297.3986 -161411.4364 -109300.3295 298.9700 -165.9266 -136.8337 764064.8095 -15.6960 -15.6598 PRESSURE: 2594400 -68.1888 -143.737 61.0435 -143.737 -248.335 -109.55 61.0434 -109.55 -593.357 GPRESSURE: 2594400 -66.4073 -179.981 10.9845 -3.62351 -256.74 -70.9256 11.5711 18.2605 -497.85 PRESSAVG: 2594400 3.6192 -50.7147 40.6831 -50.7146 -14.4287 12.3741 40.6831 12.3742 -24.9857 GPRESSAVG: 2594400 3.44792 -52.4807 41.4595 -50.4477 -13.1788 13.6129 42.5124 13.8226 -25.6155 TIMING: 2594400 CPU: 8195.42, 0.00314237/step Wall: 8195.42, 0.00314237/step, 2.0998 hours remaining, 235.847656 MB of memory in use. ENERGY: 2594400 3991.4920 20541.5750 14460.8083 234.1094 -203120.3054 2323.4747 0.0000 0.0000 51887.4554 -109681.3906 298.1979 -161568.8460 -109311.4077 298.2631 -303.2936 -273.6658 763367.4985 -11.9317 -11.7821 PRESSURE: 2594600 -228.875 -41.6482 125.834 -41.6489 226.501 125.601 125.834 125.6 -99.2191 GPRESSURE: 2594600 -168.887 98.0259 72.1606 -27.6462 245.66 102.578 231.246 89.7596 -129.431 PRESSAVG: 2594600 -4.69449 -26.4459 8.02387 -26.4459 19.3845 -17.1288 8.02383 -17.1289 11.3657 GPRESSAVG: 2594600 -3.94582 -26.7907 6.9908 -26.683 18.3019 -19.5553 7.7221 -18.4832 11.8146 TIMING: 2594600 CPU: 8196.06, 0.00315987/step Wall: 8196.06, 0.00315987/step, 2.11132 hours remaining, 235.847656 MB of memory in use. ENERGY: 2594600 3969.9254 20546.2849 14376.4005 249.7297 -203726.3097 2716.7449 0.0000 0.0000 52166.0059 -109701.2185 299.7988 -161867.2244 -109346.8248 298.7851 -33.8646 -17.5528 761781.1294 8.6852 8.7236 PRESSURE: 2594800 180.755 -106.468 -164.567 -106.467 242.934 -24.4664 -164.567 -24.466 -301.748 GPRESSURE: 2594800 186.595 -60.3676 -154.917 -144.638 225.561 7.54769 -136.52 -12.1871 -190.679 PRESSAVG: 2594800 20.7278 -49.7546 -22.2551 -49.7546 -17.9813 -22.0269 -22.2551 -22.0269 -8.47611 GPRESSAVG: 2594800 19.1705 -49.8469 -21.1815 -49.2812 -17.4031 -21.9445 -21.819 -19.3179 -7.81098 TIMING: 2594800 CPU: 8196.69, 0.00314826/step Wall: 8196.69, 0.00314826/step, 2.10339 hours remaining, 235.847656 MB of memory in use. ENERGY: 2594800 3936.0823 20545.7417 14444.3160 249.6253 -203765.1295 2737.6969 0.0000 0.0000 52237.7300 -109613.9373 300.2110 -161851.6674 -109252.3699 298.9073 40.6471 73.8253 759180.1928 -1.9099 -2.0145 PRESSURE: 2595000 119.069 121.522 199.101 121.522 36.6434 5.49813 199.101 5.49771 -369.314 GPRESSURE: 2595000 128.78 108.108 69.8296 100.458 84.1031 25.7397 142.56 22.0724 -347.935 PRESSAVG: 2595000 37.3221 18.3929 10.4933 18.3929 -5.90665 17.171 10.4933 17.171 10.5222 GPRESSAVG: 2595000 39.0922 18.0454 9.79071 20.4331 -5.93124 18.5904 10.0567 17.0784 8.59546 TIMING: 2595000 CPU: 8197.32, 0.00315057/step Wall: 8197.32, 0.00315057/step, 2.10475 hours remaining, 235.847656 MB of memory in use. ENERGY: 2595000 3962.0274 20471.6203 14497.1000 237.9442 -203567.5336 2704.2984 0.0000 0.0000 51886.9259 -109807.6173 298.1949 -161694.5432 -109449.8732 299.3339 -71.2005 -45.0173 759671.2724 13.9792 13.9188 PRESSURE: 2595200 -115.005 180.951 77.5569 180.95 -46.3077 -134.889 77.5568 -134.889 -6.22233 GPRESSURE: 2595200 -62.0683 70.467 18.86 97.2182 -19.2982 -51.3508 99.3138 -104.671 14.0529 PRESSAVG: 2595200 45.8043 -23.0614 -19.5692 -23.0614 -35.0089 20.9647 -19.5692 20.9647 9.8209 GPRESSAVG: 2595200 45.1796 -24.1712 -19.0879 -21.8836 -35.3596 21.7841 -20.7581 18.1163 11.1405 TIMING: 2595200 CPU: 8197.95, 0.00315047/step Wall: 8197.95, 0.00315047/step, 2.10451 hours remaining, 235.847656 MB of memory in use. ENERGY: 2595200 4018.3835 20615.0017 14502.1942 224.0988 -203655.3296 2646.7397 0.0000 0.0000 51732.5714 -109916.3403 297.3078 -161648.9117 -109555.7750 298.3906 -55.8450 -22.4379 760432.5998 6.8721 6.9868 PRESSURE: 2595400 118.193 120.109 -137.925 120.11 -230.492 -42.3542 -137.924 -42.3537 -242.223 GPRESSURE: 2595400 159.827 163.526 -171.267 75.8409 -208.224 29.8439 -96.6417 39.9475 -217.465 PRESSAVG: 2595400 -13.0161 -10.3185 7.85097 -10.3185 17.4234 4.28077 7.85099 4.28076 24.0181 GPRESSAVG: 2595400 -13.0313 -8.5335 7.13795 -14.254 17.8319 5.31594 10.2305 3.95324 23.1405 TIMING: 2595400 CPU: 8198.58, 0.00315824/step Wall: 8198.58, 0.00315824/step, 2.10953 hours remaining, 235.847656 MB of memory in use. ENERGY: 2595400 3972.5817 20533.7985 14510.2309 254.1767 -203672.1493 2542.0252 0.0000 0.0000 51880.8871 -109978.4492 298.1602 -161859.3363 -109620.3845 297.9603 -118.1741 -88.6205 760967.5897 9.4751 9.3137 PRESSURE: 2595600 83.8517 191.294 30.6745 191.293 369.213 -54.5719 30.6751 -54.5724 -228.115 GPRESSURE: 2595600 182.181 116.871 48.5425 183.621 377.155 -32.8956 -82.56 -66.6231 -239.426 PRESSAVG: 2595600 -26.374 15.3395 6.00267 15.3395 30.874 49.3756 6.0027 49.3756 2.18073 GPRESSAVG: 2595600 -26.3169 14.6312 5.6109 16.3236 30.5399 48.0049 4.84545 49.2168 2.63153 TIMING: 2595600 CPU: 8199.21, 0.00314708/step Wall: 8199.21, 0.00314708/step, 2.1019 hours remaining, 235.847656 MB of memory in use. ENERGY: 2595600 3944.0819 20361.3573 14468.0971 257.3731 -203943.8005 2866.9278 0.0000 0.0000 52056.3517 -109989.6117 299.1686 -162045.9634 -109617.5104 297.8712 74.9833 106.6366 761671.1336 2.2269 2.2849 PRESSURE: 2595800 66.1802 6.05544 -29.5801 6.05626 -106.412 193.716 -29.5807 193.715 149.498 GPRESSURE: 2595800 141.284 63.8842 30.9393 -150.194 -110.182 145.285 12.4604 175.838 149.485 PRESSAVG: 2595800 -52.3792 -14.2241 -16.5843 -14.2241 13.8882 40.2682 -16.5844 40.2682 18.1774 GPRESSAVG: 2595800 -53.0035 -12.9016 -15.8609 -15.8606 13.7689 39.1983 -17.9477 41.3375 19.036 TIMING: 2595800 CPU: 8199.84, 0.00315203/step Wall: 8199.84, 0.00315203/step, 2.10503 hours remaining, 235.847656 MB of memory in use. ENERGY: 2595800 3911.0970 20529.2097 14505.8237 255.4668 -203193.4425 2326.8024 0.0000 0.0000 51661.6342 -110003.4086 296.9001 -161665.0428 -109639.0564 298.1032 36.4219 60.1958 761055.7255 -6.7712 -6.7329 PRESSURE: 2596000 -163.097 -111.292 212.354 -111.293 -228.834 23.4446 212.354 23.4444 -217.3 GPRESSURE: 2596000 -119.335 -97.9112 186.348 -107.254 -204.295 82.2669 201.347 18.2219 -188.063 PRESSAVG: 2596000 45.7571 9.16817 4.15707 9.16811 -92.852 17.6022 4.1571 17.6022 17.6193 GPRESSAVG: 2596000 47.1901 9.4627 3.5443 7.22176 -92.5812 18.0949 6.03257 17.4799 16.6468 TIMING: 2596000 CPU: 8200.47, 0.00315068/step Wall: 8200.47, 0.00315068/step, 2.10396 hours remaining, 235.847656 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: 2596000 3961.5008 20478.5504 14364.6464 252.5103 -203726.4365 2783.0164 0.0000 0.0000 51952.3670 -109933.8452 298.5710 -161886.2121 -109569.9655 298.2405 -203.0767 -170.5641 761418.2501 -9.8252 -9.5814 PRESSURE: 2596200 156.316 -248.63 68.0363 -248.629 41.9539 -271.195 68.0366 -271.195 -35.6925 GPRESSURE: 2596200 231.413 -401.419 -11.5771 -196.484 27.7752 -280.875 153.948 -189.824 -15.4327 PRESSAVG: 2596200 14.8675 -41.9393 -39.8812 -41.9393 -26.6899 -5.35324 -39.8812 -5.3533 -12.4333 GPRESSAVG: 2596200 14.1439 -45.1242 -38.9598 -38.049 -26.1784 -5.18801 -41.4024 -3.84403 -12.447 TIMING: 2596200 CPU: 8201.1, 0.00315762/step Wall: 8201.1, 0.00315762/step, 2.10842 hours remaining, 235.847656 MB of memory in use. ENERGY: 2596200 3990.7091 20627.2190 14491.0824 250.6390 -203578.4876 2462.8319 0.0000 0.0000 51906.6516 -109849.3544 298.3082 -161756.0061 -109492.5940 298.4766 54.1926 81.2519 760255.4376 -8.0853 -8.1605 LDB: ============= START OF LOAD BALANCING ============== 8213.63 LDB: ============== END OF LOAD BALANCING =============== 8213.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8213.63 LDB: ============= START OF LOAD BALANCING ============== 8213.95 LDB: Largest compute 7077 load 0.030352 is 15.5% of average load 0.195537 LDB: Average compute 0.004400 is 2.2% of average load 0.195537 LDB: TIME 8213.95 LOAD: AVG 0.195537 MAX 0.215588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.605 MB LDB: TIME 8213.95 LOAD: AVG 0.195537 MAX 0.215588 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: TIME 8213.95 LOAD: AVG 0.195537 MAX 0.215588 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: ============== END OF LOAD BALANCING =============== 8213.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8213.96 PRESSURE: 2596400 27.2904 85.0744 -45.8285 85.0739 -448.311 100.691 -45.8283 100.691 -211.078 GPRESSURE: 2596400 73.4053 71.5076 -26.7014 69.5861 -421.102 71.065 31.3413 155.312 -197.456 PRESSAVG: 2596400 24.21 9.21996 -25.6356 9.21994 -23.755 51.9763 -25.6357 51.9763 26.369 GPRESSAVG: 2596400 24.8908 10.5963 -25.5161 8.67413 -25.0503 51.9961 -22.9226 52.0098 26.8044 TIMING: 2596400 CPU: 8201.74, 0.00321156/step Wall: 8201.74, 0.00321156/step, 2.14425 hours remaining, 236.156250 MB of memory in use. ENERGY: 2596400 4059.4477 20479.9245 14495.4203 257.3883 -203787.1048 2848.7959 0.0000 0.0000 51818.7113 -109827.4169 297.8028 -161646.1282 -109463.4992 298.7955 -210.6993 -181.7175 762049.0399 8.9413 8.8816 PRESSURE: 2596600 -215.481 -237.538 261.537 -237.538 -241.162 98.8551 261.537 98.8537 -225.293 GPRESSURE: 2596600 -275.552 -239.625 201.929 -253.825 -109.135 162.77 348.924 -83.8951 -194.688 PRESSAVG: 2596600 59.7507 -10.4272 8.88767 -10.4273 -30.852 -1.8704 8.88775 -1.8704 31.1266 GPRESSAVG: 2596600 57.698 -8.11779 6.12947 -10.7676 -28.8213 -3.19132 10.2676 -2.51687 31.098 TIMING: 2596600 CPU: 8202.37, 0.00315112/step Wall: 8202.37, 0.00315112/step, 2.10372 hours remaining, 236.222656 MB of memory in use. ENERGY: 2596600 4063.1591 20444.9137 14567.3397 242.6970 -203217.6527 2422.9799 0.0000 0.0000 51868.0102 -109608.5531 298.0862 -161476.5634 -109245.1141 298.4018 -227.3123 -193.1251 762150.5484 20.0084 19.9916 PRESSURE: 2596800 392.665 -79.966 275.37 -79.9656 159.963 2.76758 275.369 2.76692 158.318 GPRESSURE: 2596800 422.607 -138.52 226.042 -19.2305 196.633 20.3353 249.756 28.8201 182.263 PRESSAVG: 2596800 -9.98802 16.9641 12.8298 16.9641 -22.9606 2.11585 12.8297 2.11584 -22.9506 GPRESSAVG: 2596800 -9.49618 17.2023 15.0239 15.7076 -23.1473 2.04607 10.0267 2.75853 -23.3115 TIMING: 2596800 CPU: 8203, 0.00314513/step Wall: 8203, 0.00314513/step, 2.09955 hours remaining, 236.222656 MB of memory in use. ENERGY: 2596800 3888.2847 20524.9437 14453.1789 237.6812 -203350.5579 2610.6069 0.0000 0.0000 52068.1193 -109567.7433 299.2362 -161635.8626 -109197.7147 298.7953 236.9821 267.1679 763031.9352 -18.6331 -18.6517 PRESSURE: 2597000 -213.805 -120.806 -69.393 -120.805 -156.613 182.166 -69.3927 182.166 56.9402 GPRESSURE: 2597000 -78.3279 -176.747 -49.1796 -13.4215 -170.014 105.104 -34.6234 209.171 42.7238 PRESSAVG: 2597000 67.906 -50.0673 -9.18297 -50.0673 -100.19 57.0259 -9.18293 57.0259 -12.2617 GPRESSAVG: 2597000 68.8616 -53.1941 -8.04723 -47.4156 -102.008 58.8428 -8.69641 55.0207 -11.228 TIMING: 2597000 CPU: 8203.63, 0.00314519/step Wall: 8203.63, 0.00314519/step, 2.09942 hours remaining, 236.222656 MB of memory in use. ENERGY: 2597000 3972.2601 20486.8354 14438.0400 250.9013 -203476.0891 2635.1305 0.0000 0.0000 52032.0891 -109660.8326 299.0291 -161692.9217 -109300.3131 298.3987 -104.4928 -68.5395 763253.3408 -14.8486 -14.7915 PRESSURE: 2597200 114.057 169.993 24.8709 169.992 -226.833 113.112 24.8708 113.112 -164.125 GPRESSURE: 2597200 96.4514 196.215 -20.9287 239.143 -225.652 54.8038 -30.5161 154.427 -80.7611 PRESSAVG: 2597200 50.8777 -13.0667 -17.5035 -13.0667 -55.903 53.7645 -17.5035 53.7645 3.20125 GPRESSAVG: 2597200 51.1506 -10.3332 -19.2698 -14.5336 -55.2273 52.7219 -17.959 56.6999 2.6287 TIMING: 2597200 CPU: 8204.26, 0.00316979/step Wall: 8204.26, 0.00316979/step, 2.11566 hours remaining, 236.222656 MB of memory in use. ENERGY: 2597200 4033.8711 20412.6823 14500.3373 247.2891 -203548.9927 2561.5845 0.0000 0.0000 52161.2622 -109631.9662 299.7715 -161793.2284 -109258.0204 298.4929 -92.3001 -69.9874 762225.5429 -0.6080 -0.4827 PRESSURE: 2597400 293.853 -305.712 -4.85479 -305.713 -188.62 216.079 -4.8557 216.079 -102.896 GPRESSURE: 2597400 246.325 -202.292 -81.8495 -318.15 -105.253 176.045 -37.1986 221.664 -61.917 PRESSAVG: 2597400 66.7412 -15.5555 -0.686141 -15.5554 -74.1784 28.0262 -0.686097 28.0262 -12.4927 GPRESSAVG: 2597400 65.7431 -14.6416 -1.71698 -15.3694 -73.3363 28.532 0.0748163 27.6222 -12.275 TIMING: 2597400 CPU: 8204.89, 0.00314794/step Wall: 8204.89, 0.00314794/step, 2.1009 hours remaining, 236.222656 MB of memory in use. ENERGY: 2597400 3993.7366 20445.9663 14500.2703 253.0269 -203270.1758 2600.2246 0.0000 0.0000 51980.2107 -109496.7404 298.7310 -161476.9510 -109141.5142 298.8276 0.7791 26.3852 762264.6711 -6.6433 -6.6228 PRESSURE: 2597600 75.7896 291.2 -172.454 291.2 244.731 97.8961 -172.454 97.8963 -33.4835 GPRESSURE: 2597600 165.581 199.68 -236.985 89.7361 231.706 19.5797 -56.7881 153.461 -33.9874 PRESSAVG: 2597600 31.833 24.6624 -25.0059 24.6624 -4.528 55.5627 -25.0059 55.5627 -13.0727 GPRESSAVG: 2597600 32.2197 23.6872 -22.7012 23.5427 -4.74854 56.7031 -24.9137 53.7918 -12.8351 TIMING: 2597600 CPU: 8205.52, 0.00314293/step Wall: 8205.52, 0.00314293/step, 2.09738 hours remaining, 236.222656 MB of memory in use. ENERGY: 2597600 3986.4434 20300.2873 14445.6030 245.2153 -203208.5645 2708.3244 0.0000 0.0000 52082.9528 -109439.7383 299.3214 -161522.6911 -109088.6541 298.8107 95.6791 121.0999 762146.3127 4.7441 4.8787 PRESSURE: 2597800 -151.65 -21.5539 -78.2615 -21.5539 -116.29 -47.6407 -78.262 -47.6399 -302.411 GPRESSURE: 2597800 -177.803 -11.7027 -106.171 21.8831 -94.1011 -30.5873 -22.767 1.81339 -224.482 PRESSAVG: 2597800 -17.6477 -16.762 -26.9785 -16.762 4.63442 0.37929 -26.9785 0.379376 8.52082 GPRESSAVG: 2597800 -16.1381 -17.7764 -28.0623 -15.0134 3.61555 -1.93669 -28.0718 3.65376 8.32192 TIMING: 2597800 CPU: 8206.15, 0.00314701/step Wall: 8206.15, 0.00314701/step, 2.09993 hours remaining, 236.222656 MB of memory in use. ENERGY: 2597800 4012.2126 20528.4366 14431.3844 264.6026 -203011.8637 2434.0011 0.0000 0.0000 52001.8658 -109339.3605 298.8554 -161341.2263 -108977.4441 299.0182 -190.1170 -165.4620 760470.2522 -1.4975 -1.4002 PRESSURE: 2598000 43.5524 124.208 -109.885 124.209 -190.692 -249.379 -109.886 -249.377 33.4742 GPRESSURE: 2598000 135.989 100.76 -13.9196 73.065 -208.199 -239.718 -39.4406 -96.4957 55.8661 PRESSAVG: 2598000 19.3857 0.48874 -58.0947 0.488723 -43.7557 16.8371 -58.0947 16.8372 10.8102 GPRESSAVG: 2598000 19.4458 2.54433 -57.4965 -0.584019 -42.6666 16.7977 -57.214 17.6655 10.3954 TIMING: 2598000 CPU: 8206.78, 0.00316032/step Wall: 8206.78, 0.00316032/step, 2.10864 hours remaining, 236.222656 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: 2598000 4046.5898 20283.0744 14537.8470 249.1761 -202946.7486 2450.5708 0.0000 0.0000 51955.7310 -109423.7595 298.5903 -161379.4905 -109065.9597 299.1126 -37.8886 -5.4480 762269.1003 -4.5199 -4.2751 PRESSURE: 2598200 119.644 -157.446 -247.58 -157.445 -15.956 1.58281 -247.58 1.58344 -191.898 GPRESSURE: 2598200 121.348 -126.584 -245.243 -339.265 70.9568 -67.4027 -174.59 27.2559 -179.133 PRESSAVG: 2598200 26.8464 8.36195 -40.2843 8.36201 -28.4888 17.5003 -40.2843 17.5002 -1.55133 GPRESSAVG: 2598200 27.2402 8.22988 -41.056 9.19246 -28.1593 18.8547 -38.5338 14.9071 -2.30787 TIMING: 2598200 CPU: 8207.41, 0.00315268/step Wall: 8207.41, 0.00315268/step, 2.10336 hours remaining, 236.222656 MB of memory in use. ENERGY: 2598200 3961.5444 20288.3697 14503.0925 245.7842 -202725.4745 2295.4869 0.0000 0.0000 52047.1086 -109384.0881 299.1154 -161431.1967 -109018.3055 299.2670 -29.4032 4.3903 761443.9936 -1.0646 -1.0756 PRESSURE: 2598400 494.207 -105.421 -173.784 -105.421 139.973 198.898 -173.784 198.898 186.492 GPRESSURE: 2598400 432.958 -75.065 -119.102 -130.132 252.682 148.366 -157.995 173.884 217.14 PRESSAVG: 2598400 33.8605 38.9184 -31.2923 38.9185 -5.68289 15.6338 -31.2923 15.6337 -5.59222 GPRESSAVG: 2598400 32.3825 37.473 -30.9993 37.3296 -6.4132 16.1594 -33.5976 15.4882 -3.81642 TIMING: 2598400 CPU: 8208.05, 0.00315295/step Wall: 8208.05, 0.00315295/step, 2.10336 hours remaining, 236.222656 MB of memory in use. ENERGY: 2598400 3926.0802 20487.1621 14458.7604 270.5753 -203022.2565 2491.3054 0.0000 0.0000 52074.7740 -109313.5991 299.2744 -161388.3731 -108956.6344 299.7114 273.5575 300.9264 760668.5316 7.5285 7.3843 PRESSURE: 2598600 -192.891 120.464 -219.119 120.465 -221.438 13.4023 -219.118 13.4021 -228.861 GPRESSURE: 2598600 -196.903 43.3684 -203.387 140.986 -173.458 16.1048 -152.932 2.79156 -192.902 PRESSAVG: 2598600 -15.6968 -7.51775 -54.133 -7.51777 -22.1432 -0.331868 -54.133 -0.331893 11.2604 GPRESSAVG: 2598600 -15.8856 -7.55539 -54.3464 -6.78545 -22.3238 -0.560342 -52.9878 -0.862774 11.5559 TIMING: 2598600 CPU: 8208.67, 0.00314007/step Wall: 8208.67, 0.00314007/step, 2.0946 hours remaining, 236.222656 MB of memory in use. ENERGY: 2598600 4029.6771 20563.5690 14485.1313 239.9956 -203259.3212 2579.1762 0.0000 0.0000 52182.2925 -109179.4795 299.8924 -161361.7720 -108810.3065 299.3130 -214.3967 -187.7543 761544.6947 -8.8599 -8.8845 PRESSURE: 2598800 -40.9278 -99.5227 -104.812 -99.5225 -242.163 19.7075 -104.812 19.7081 -230.688 GPRESSURE: 2598800 24.4574 -97.4536 -30.9973 -100.425 -245.241 -7.55687 -37.4341 -102.272 -226.014 PRESSAVG: 2598800 -15.8517 -5.90393 28.9424 -5.90398 -12.1964 -14.0325 28.9424 -14.0325 -0.291134 GPRESSAVG: 2598800 -16.1647 -4.8846 30.1113 -5.81295 -11.353 -12.3343 26.7868 -13.9008 -1.42365 TIMING: 2598800 CPU: 8209.3, 0.00313925/step Wall: 8209.3, 0.00313925/step, 2.09388 hours remaining, 236.222656 MB of memory in use. ENERGY: 2598800 3992.0575 20422.5314 14461.7163 240.7039 -202833.0935 2589.9353 0.0000 0.0000 52019.1496 -109106.9995 298.9548 -161126.1490 -108740.6903 299.6295 -171.2596 -148.9324 763066.9858 -9.4464 -9.6471 PRESSURE: 2599000 -229.479 189.039 -166.669 189.039 -352.817 9.26139 -166.67 9.26222 109.071 GPRESSURE: 2599000 -203.202 158.628 -225.842 241.335 -320.277 -23.2888 -143.992 15.5747 139.521 PRESSAVG: 2599000 -21.7223 -41.7928 -7.3862 -41.7928 -61.8317 11.967 -7.38624 11.9669 -9.29716 GPRESSAVG: 2599000 -21.3799 -41.5893 -7.89123 -41.2602 -62.1079 11.3113 -5.50576 11.207 -9.42649 TIMING: 2599000 CPU: 8209.93, 0.00314093/step Wall: 8209.93, 0.00314092/step, 2.09482 hours remaining, 236.222656 MB of memory in use. ENERGY: 2599000 4036.7874 20747.6447 14481.1763 262.2779 -203155.4283 2365.7706 0.0000 0.0000 52032.2202 -109229.5513 299.0299 -161261.7715 -108865.2516 299.4705 -157.7418 -127.9860 761650.8823 -30.9504 -30.9714 PRESSURE: 2599200 -81.5093 -142.078 211.741 -142.078 76.2102 -357.853 211.741 -357.852 13.7973 GPRESSURE: 2599200 -1.66372 -180.23 254.081 -194.132 30.5673 -288.246 238.643 -408.324 52.2173 PRESSAVG: 2599200 22.6651 -61.7304 -37.9968 -61.7304 -53.3545 -54.8978 -37.9968 -54.8978 24.159 GPRESSAVG: 2599200 22.39 -62.692 -38.8441 -63.259 -53.1313 -55.8654 -39.6386 -50.2836 23.9383 TIMING: 2599200 CPU: 8210.56, 0.0031391/step Wall: 8210.56, 0.0031391/step, 2.09343 hours remaining, 236.222656 MB of memory in use. ENERGY: 2599200 4056.1272 20547.5506 14486.0798 232.2084 -202985.9684 2434.6556 0.0000 0.0000 51952.9496 -109276.3972 298.5743 -161229.3468 -108917.5681 299.7304 2.8327 27.0403 762053.0990 -2.1768 -2.2677 PRESSURE: 2599400 46.9812 -142.766 -163.377 -142.766 -233.585 -196.153 -163.377 -196.153 -9.96946 GPRESSURE: 2599400 69.3492 -19.8787 -237.215 -184.587 -232.672 -160.32 -181.252 -286.834 45.8411 PRESSAVG: 2599400 -14.5536 -41.2714 -14.5996 -41.2715 50.3357 -13.4512 -14.5996 -13.4512 -8.7916 GPRESSAVG: 2599400 -14.4481 -41.2345 -14.5778 -39.8998 48.7464 -13.1968 -13.8984 -17.9456 -8.12967 TIMING: 2599400 CPU: 8211.19, 0.00314758/step Wall: 8211.19, 0.00314758/step, 2.09891 hours remaining, 236.222656 MB of memory in use. ENERGY: 2599400 4008.4342 20560.3070 14466.0822 273.6610 -203104.8911 2542.9500 0.0000 0.0000 52107.2570 -109146.1997 299.4611 -161253.4567 -108802.4781 300.1117 -65.5245 -39.1605 763031.5503 8.9968 8.7229 PRESSURE: 2599600 78.4161 48.6362 127.922 48.6359 -7.49799 21.4187 127.922 21.4187 47.1634 GPRESSURE: 2599600 139.889 -39.6321 109.615 84.0776 69.6806 71.1278 118.817 28.9903 4.50618 PRESSAVG: 2599600 36.6593 -34.2249 -33.7771 -34.2249 -21.0286 13.2679 -33.7771 13.2679 0.815511 GPRESSAVG: 2599600 37.3227 -34.5188 -34.139 -33.8835 -19.6595 13.0107 -33.7803 14.8735 -0.65804 TIMING: 2599600 CPU: 8211.82, 0.00314804/step Wall: 8211.82, 0.00314804/step, 2.09904 hours remaining, 236.222656 MB of memory in use. ENERGY: 2599600 4054.5598 20622.3270 14532.2874 271.3127 -203047.0050 2572.7008 0.0000 0.0000 51742.1687 -109251.6485 297.3630 -160993.8172 -108908.8414 299.9729 39.3605 71.3586 761626.5415 5.4821 5.6684 PRESSURE: 2599800 -192.3 20.1612 3.945 20.1608 263.313 -130.937 3.94612 -130.939 274.153 GPRESSURE: 2599800 -153.18 108.421 11.1466 -11.8214 310.288 -114.162 -106.575 -158.889 248.717 PRESSAVG: 2599800 -18.0984 9.6738 -12.0521 9.67371 50.2104 46.062 -12.0522 46.0619 13.5014 GPRESSAVG: 2599800 -17.6695 9.41046 -9.93171 8.88746 49.8162 45.9573 -13.5495 44.9252 13.2947 TIMING: 2599800 CPU: 8212.45, 0.00315369/step Wall: 8212.45, 0.00315369/step, 2.10264 hours remaining, 236.222656 MB of memory in use. ENERGY: 2599800 3987.2028 20610.8743 14518.6710 245.1900 -203443.4300 2672.7174 0.0000 0.0000 52024.3811 -109384.3933 298.9848 -161408.7744 -109025.3308 299.0277 115.0554 135.2750 761058.2874 15.2045 15.1471 PRESSURE: 2600000 -234.568 -311.483 77.4817 -311.482 1.2909 -79.1913 77.4819 -79.193 220.336 GPRESSURE: 2600000 -162.883 -374.664 26.4083 -203.525 26.2664 -177.444 31.456 -127.336 211.583 PRESSAVG: 2600000 -91.0631 -1.41008 -41.5913 -1.41009 75.2583 6.00209 -41.5913 6.00211 11.8447 GPRESSAVG: 2600000 -91.0573 -2.57758 -43.4909 0.418833 74.7707 5.50841 -39.1755 6.93325 11.8368 TIMING: 2600000 CPU: 8213.08, 0.00316518/step Wall: 8213.08, 0.00316518/step, 2.11012 hours remaining, 236.222656 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: 2600000 4000.1166 20504.8785 14453.2009 272.0526 -203533.0414 2817.4408 0.0000 0.0000 52001.1702 -109484.1818 298.8514 -161485.3520 -109126.4305 298.9881 -4.3134 24.9886 762028.1447 -1.3200 -1.4833 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING COORDINATES TO DCD FILE MD.1.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: 2600200 -219.805 107.767 29.0478 107.767 -6.4375 18.3551 29.0472 18.3553 -102.227 GPRESSURE: 2600200 -133.785 120.922 -24.327 50.9395 17.5307 72.5694 2.01498 124.235 -141.596 PRESSAVG: 2600200 -37.8989 -23.4536 42.2093 -23.4535 38.7237 9.88891 42.2093 9.88889 14.4599 GPRESSAVG: 2600200 -39.2 -21.9968 42.5956 -25.2153 39.1761 10.2251 41.6423 9.39271 15.5712 TIMING: 2600200 CPU: 8213.76, 0.00341255/step Wall: 8213.76, 0.00341255/step, 2.27484 hours remaining, 236.347656 MB of memory in use. ENERGY: 2600200 3984.8931 20460.8997 14545.6033 263.1127 -203722.1263 2602.3600 0.0000 0.0000 52253.8173 -109611.4401 300.3034 -161865.2574 -109244.8040 299.0101 -109.4897 -85.9504 760782.0760 5.0949 5.1824 LDB: ============= START OF LOAD BALANCING ============== 8226.29 LDB: ============== END OF LOAD BALANCING =============== 8226.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8226.3 LDB: ============= START OF LOAD BALANCING ============== 8226.61 LDB: Largest compute 7077 load 0.031512 is 16.1% of average load 0.195562 LDB: Average compute 0.004384 is 2.2% of average load 0.195562 LDB: TIME 8226.61 LOAD: AVG 0.195562 MAX 0.216928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 8226.62 LOAD: AVG 0.195562 MAX 0.216928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: TIME 8226.62 LOAD: AVG 0.195562 MAX 0.216928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: ============== END OF LOAD BALANCING =============== 8226.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8226.62 PRESSURE: 2600400 -376.692 -168.127 21.6034 -168.127 -108.03 36.2457 21.6032 36.2463 -179.604 GPRESSURE: 2600400 -367.954 -103.716 40.5907 -139.356 -50.7472 -24.2828 187.264 104.432 -161.494 PRESSAVG: 2600400 -48.0467 17.9382 -7.49706 17.9383 70.6952 -14.7566 -7.49703 -14.7566 2.27548 GPRESSAVG: 2600400 -47.8031 17.729 -6.45506 18.0246 71.3685 -14.3816 -9.09423 -14.7573 1.86942 TIMING: 2600400 CPU: 8214.41, 0.00321217/step Wall: 8214.41, 0.00321217/step, 2.14109 hours remaining, 235.386719 MB of memory in use. ENERGY: 2600400 4075.3717 20662.8821 14438.7082 243.3326 -203479.7938 2627.6435 0.0000 0.0000 51935.9365 -109495.9192 298.4765 -161431.8557 -109127.2618 299.0715 -221.4420 -193.3985 761264.9794 8.3080 8.4783 PRESSURE: 2600600 -81.4318 -12.4511 -95.6891 -12.4513 -467.134 -172.986 -95.6891 -172.986 -455.975 GPRESSURE: 2600600 -100.571 -53.5265 -64.2862 -39.6122 -391.961 -145.033 -181.393 -70.619 -427.305 PRESSAVG: 2600600 -27.8719 -27.1214 -1.42864 -27.1214 28.2452 10.0837 -1.4287 10.0837 2.92926 GPRESSAVG: 2600600 -27.9339 -26.3854 -0.612343 -28.2779 27.1147 10.7949 0.94114 10.953 3.72497 TIMING: 2600600 CPU: 8215.03, 0.00313917/step Wall: 8215.03, 0.00313917/step, 2.09226 hours remaining, 235.792969 MB of memory in use. ENERGY: 2600600 4090.3533 20623.8599 14470.9547 230.8898 -203094.3689 2230.8728 0.0000 0.0000 52176.7306 -109270.7079 299.8604 -161447.4385 -108910.1991 299.4074 -334.8470 -306.6123 762725.3246 1.1008 0.9686 PRESSURE: 2600800 -275.142 116.043 94.3723 116.042 -98.5963 -7.37309 94.3726 -7.37246 132.776 GPRESSURE: 2600800 -244.445 72.1065 -0.328924 98.1376 -58.3888 7.47545 137.038 -114.895 139.168 PRESSAVG: 2600800 -32.1973 -35.842 21.2337 -35.8421 15.4037 17.4988 21.2337 17.4988 10.819 GPRESSAVG: 2600800 -31.6975 -36.6696 19.8189 -34.8123 16.7215 16.5386 18.4945 15.8758 9.23652 TIMING: 2600800 CPU: 8215.66, 0.0031344/step Wall: 8215.66, 0.0031344/step, 2.0889 hours remaining, 235.792969 MB of memory in use. ENERGY: 2600800 3875.5864 20614.4437 14468.3463 250.8241 -203155.5458 2524.5920 0.0000 0.0000 52063.7301 -109358.0231 299.2110 -161421.7532 -109001.2908 299.7406 -80.3207 -54.5552 761723.4306 -1.9915 -1.9132 PRESSURE: 2601000 82.4878 174.989 103.772 174.989 52.4989 165.828 103.772 165.828 124.422 GPRESSURE: 2601000 119.353 63.219 180.76 153.031 68.4524 107.202 156.958 84.068 157.197 PRESSAVG: 2601000 -6.9682 -57.5312 -24.1372 -57.5311 -12.5486 -56.9487 -24.1372 -56.9487 12.8659 GPRESSAVG: 2601000 -7.96324 -56.3284 -23.8769 -58.1411 -12.8902 -57.8548 -23.1034 -54.1645 14.0758 TIMING: 2601000 CPU: 8216.28, 0.00312016/step Wall: 8216.28, 0.00312016/step, 2.07924 hours remaining, 235.792969 MB of memory in use. ENERGY: 2601000 3984.0236 20611.7099 14457.0994 239.9535 -203462.7201 2835.8648 0.0000 0.0000 52163.9701 -109170.0989 299.7871 -161334.0689 -108821.8326 299.7596 86.4696 115.0010 759892.9340 -2.2170 -2.2592 PRESSURE: 2601200 -52.4215 -5.0735 -12.6747 -5.07413 107.676 -212.308 -12.6743 -212.307 22.3714 GPRESSURE: 2601200 -26.4443 -31.8112 -35.4413 -4.26436 120.257 -154.242 -45.6138 -294.649 63.9506 PRESSAVG: 2601200 52.0296 -29.927 -34.5266 -29.927 -17.8894 16.226 -34.5266 16.2261 -29.7301 GPRESSAVG: 2601200 52.6225 -32.2912 -35.3199 -28.3701 -18.6829 16.5864 -35.4182 16.1363 -29.4036 TIMING: 2601200 CPU: 8216.91, 0.00313959/step Wall: 8216.91, 0.00313958/step, 2.09201 hours remaining, 235.792969 MB of memory in use. ENERGY: 2601200 4011.2191 20468.7533 14440.0783 274.1062 -203024.1442 2257.3279 0.0000 0.0000 52263.8770 -109308.7825 300.3612 -161572.6594 -108956.6035 299.8612 25.8753 52.5878 760606.9127 1.4700 1.5120 PRESSURE: 2601400 -305.638 -357.497 178.361 -357.497 -66.6799 -19.1666 178.362 -19.1669 439.525 GPRESSURE: 2601400 -216.712 -434.225 141.709 -338.654 -3.10104 -76.5044 204.289 45.6352 388.658 PRESSAVG: 2601400 -25.3702 -97.5355 12.2076 -97.5354 19.4145 -20.0027 12.2076 -20.0027 12.1011 GPRESSAVG: 2601400 -23.9898 -98.7352 11.7978 -95.5484 19.5165 -18.5388 14.1613 -20.4743 10.2523 TIMING: 2601400 CPU: 8217.54, 0.0031436/step Wall: 8217.54, 0.0031436/step, 2.09451 hours remaining, 235.792969 MB of memory in use. ENERGY: 2601400 3977.8793 20673.7219 14372.7603 239.3877 -203118.9067 2473.3979 0.0000 0.0000 52053.9433 -109327.8164 299.1547 -161381.7596 -108975.5080 299.4302 22.4022 56.2818 761134.4010 2.0485 1.9263 PRESSURE: 2601600 366.019 99.4053 -151.676 99.4054 -144.908 -276.51 -151.677 -276.51 -46.8408 GPRESSURE: 2601600 399.128 48.0962 -189.625 4.53408 -59.236 -233.784 0.929394 -343.818 -90.9502 PRESSAVG: 2601600 57.013 17.4237 -23.7484 17.4237 -9.84927 9.60492 -23.7484 9.60488 2.62753 GPRESSAVG: 2601600 55.9616 21.748 -22.7352 14.251 -9.05977 9.37454 -23.9978 7.36301 3.28798 TIMING: 2601600 CPU: 8218.17, 0.00313278/step Wall: 8218.17, 0.00313278/step, 2.08713 hours remaining, 235.792969 MB of memory in use. ENERGY: 2601600 4021.9567 20469.4087 14467.6193 235.3935 -202840.6240 2314.3333 0.0000 0.0000 52078.9397 -109252.9727 299.2984 -161331.9124 -108891.2314 299.4201 58.0900 82.9806 761524.9153 16.5971 16.7299 PRESSURE: 2601800 227.948 -138.937 119.124 -138.937 312.005 -194.646 119.124 -194.645 273.543 GPRESSURE: 2601800 295.32 -155.483 104.625 -84.9441 313.578 -251.145 -37.8023 -191.737 281.557 PRESSAVG: 2601800 69.7354 -5.67408 44.4321 -5.6741 7.32325 -20.6315 44.432 -20.6316 3.51131 GPRESSAVG: 2601800 69.3862 -6.26988 43.9827 -5.60386 6.58703 -22.3058 43.3538 -20.2163 4.13313 TIMING: 2601800 CPU: 8218.8, 0.00314118/step Wall: 8218.8, 0.00314118/step, 2.09255 hours remaining, 235.792969 MB of memory in use. ENERGY: 2601800 3995.8520 20574.3110 14438.7509 250.6951 -203635.1178 2775.9029 0.0000 0.0000 52312.3341 -109287.2718 300.6397 -161599.6059 -108930.2232 299.2367 271.1654 296.8184 759295.6466 26.8567 26.7021 PRESSURE: 2602000 -64.0602 24.295 72.4272 24.2937 121.561 259.117 72.4266 259.117 13.2624 GPRESSURE: 2602000 -69.8928 59.5188 46.9398 39.5685 185.799 216.04 -57.1007 94.4716 30.9129 PRESSAVG: 2602000 18.2543 -34.2654 28.6852 -34.2654 26.1202 31.7285 28.6852 31.7285 19.2178 GPRESSAVG: 2602000 18.91 -33.7724 29.3401 -36.0338 26.1803 31.0767 29.0014 33.4155 18.8421 TIMING: 2602000 CPU: 8219.43, 0.00315586/step Wall: 8219.43, 0.00315586/step, 2.10216 hours remaining, 235.792969 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: 2602000 4027.0662 20431.8864 14504.2434 245.7230 -203137.8854 2538.8655 0.0000 0.0000 52355.9335 -109034.1674 300.8903 -161390.1009 -108663.8787 299.6757 23.5879 48.9396 760828.2426 21.1975 21.3108 PRESSURE: 2602200 33.8323 57.3985 115.752 57.3987 147.883 -92.2346 115.753 -92.2358 -10.2048 GPRESSURE: 2602200 108.828 -46.6942 147.405 126.371 185.295 -75.8706 110.725 46.005 -45.1128 PRESSAVG: 2602200 36.7649 22.3844 -6.83191 22.3845 -31.3392 7.06818 -6.83192 7.06813 -24.0199 GPRESSAVG: 2602200 36.5781 21.1916 -7.90819 23.2565 -30.1932 7.5082 -7.93896 6.99549 -24.6285 TIMING: 2602200 CPU: 8220.05, 0.00313771/step Wall: 8220.05, 0.00313771/step, 2.08989 hours remaining, 235.792969 MB of memory in use. ENERGY: 2602200 3999.3777 20601.3180 14436.2381 250.0210 -203729.6487 2949.8710 0.0000 0.0000 52151.0337 -109341.7891 299.7127 -161492.8228 -108987.6305 299.6075 57.1702 83.0034 763416.0028 -6.1980 -6.0812 PRESSURE: 2602400 6.87628 174.386 4.83324 174.385 23.3192 -0.869811 4.83282 -0.869091 -50.6264 GPRESSURE: 2602400 90.2834 190.883 -69.3662 90.697 85.8391 13.8007 34.117 -32.954 -117.017 PRESSAVG: 2602400 77.5219 65.6208 43.3328 65.6208 -60.8828 -62.2403 43.3328 -62.2402 3.81607 GPRESSAVG: 2602400 78.0479 66.7943 44.1157 66.9993 -62.3874 -61.8808 44.9573 -63.6405 4.90624 TIMING: 2602400 CPU: 8220.68, 0.00313557/step Wall: 8220.68, 0.00313557/step, 2.08829 hours remaining, 235.792969 MB of memory in use. ENERGY: 2602400 4063.3922 20488.7026 14458.4382 244.8000 -203295.3843 2566.0183 0.0000 0.0000 52026.7625 -109447.2705 298.9985 -161474.0331 -109089.6857 299.4879 -6.8103 19.7020 761463.3631 6.8184 6.8556 PRESSURE: 2602600 46.6016 7.44799 -226.577 7.44728 10.5994 101.319 -226.577 101.321 114.666 GPRESSURE: 2602600 52.4438 84.1017 -193.787 92.8476 -13.3017 195.511 -87.8261 65.1014 216.552 PRESSAVG: 2602600 43.5621 16.5817 -60.1108 16.5817 -28.9243 -55.4114 -60.1108 -55.4115 -10.2928 GPRESSAVG: 2602600 43.432 16.1344 -60.6816 15.7093 -28.6402 -53.9123 -57.3731 -56.207 -10.1246 TIMING: 2602600 CPU: 8221.31, 0.00315017/step Wall: 8221.31, 0.00315017/step, 2.09784 hours remaining, 235.792969 MB of memory in use. ENERGY: 2602600 3981.0549 20658.7895 14445.8432 271.5254 -203085.2949 2448.8993 0.0000 0.0000 51920.3928 -109358.7897 298.3872 -161279.1825 -109003.5807 299.3636 57.2889 85.2314 761039.9771 1.4483 1.5557 PRESSURE: 2602800 211.547 124.125 -40.3641 124.125 -75.6786 27.3151 -40.3641 27.3157 47.3624 GPRESSURE: 2602800 279.75 195.194 -23.5968 178.982 -41.7474 127.157 -89.5972 -42.5335 26.8422 PRESSAVG: 2602800 -16.8833 25.7579 -27.1687 25.7579 23.937 -57.7261 -27.1687 -57.7261 -5.67181 GPRESSAVG: 2602800 -16.4157 26.4738 -26.8737 25.9268 23.9493 -57.4631 -28.0162 -56.8148 -6.08421 TIMING: 2602800 CPU: 8221.94, 0.0031555/step Wall: 8221.94, 0.0031555/step, 2.10121 hours remaining, 235.792969 MB of memory in use. ENERGY: 2602800 3923.3128 20364.9923 14451.3206 256.3275 -203361.7505 2553.1434 0.0000 0.0000 52499.6240 -109313.0299 301.7161 -161812.6539 -108943.7918 298.9973 61.0770 88.2814 761583.8564 0.4606 0.4831 PRESSURE: 2603000 253.55 68.0274 360.541 68.0277 51.2279 125.98 360.543 125.981 19.3777 GPRESSURE: 2603000 190.532 -94.8043 391.015 83.9177 135.427 58.545 228.907 120.898 78.6038 PRESSAVG: 2603000 18.9474 6.22612 -6.89938 6.2261 -22.093 15.812 -6.89932 15.812 -8.03371 GPRESSAVG: 2603000 17.3871 3.43207 -5.68822 7.09562 -20.5301 14.1466 -9.58808 15.2646 -8.07447 TIMING: 2603000 CPU: 8222.57, 0.00314873/step Wall: 8222.57, 0.00314873/step, 2.09653 hours remaining, 235.792969 MB of memory in use. ENERGY: 2603000 3969.2977 20623.2053 14473.9428 246.2630 -203118.0075 2678.9903 0.0000 0.0000 51786.6711 -109339.6372 297.6187 -161126.3083 -108972.2861 299.4488 108.0520 134.8543 761948.1968 -3.7265 -3.7392 PRESSURE: 2603200 -611.671 -28.6054 31.5743 -28.6054 -88.3133 6.28067 31.5742 6.28106 208.992 GPRESSURE: 2603200 -455.01 71.0466 39.9241 44.6913 -133.86 26.282 -45.3143 -57.779 178.815 PRESSAVG: 2603200 -29.4456 -12.3004 59.0761 -12.3004 72.0347 21.4879 59.076 21.488 7.95161 GPRESSAVG: 2603200 -27.5577 -11.2254 57.7431 -13.4813 70.906 22.4041 60.9864 21.939 7.20709 TIMING: 2603200 CPU: 8223.2, 0.00314865/step Wall: 8223.2, 0.00314866/step, 2.0963 hours remaining, 235.792969 MB of memory in use. ENERGY: 2603200 4027.2706 20502.8800 14534.5235 245.0814 -202933.6068 2285.3118 0.0000 0.0000 52192.6447 -109145.8948 299.9518 -161338.5395 -108774.8439 299.4954 -163.6640 -136.6848 761916.5009 16.8469 16.8518 PRESSURE: 2603400 309.762 -92.7026 37.2518 -92.7032 -60.3498 -12.383 37.2519 -12.3829 771.733 GPRESSURE: 2603400 273.187 -73.7853 103.791 -63.3681 106.665 -17.0857 44.9838 -75.1399 745.618 PRESSAVG: 2603400 -97.0994 0.181644 -7.79596 0.181626 46.9349 46.0378 -7.79599 46.0379 -6.67835 GPRESSAVG: 2603400 -98.344 -0.0193253 -8.68665 1.3349 48.141 45.5334 -8.35392 44.9346 -6.97647 TIMING: 2603400 CPU: 8223.83, 0.00314328/step Wall: 8223.83, 0.00314328/step, 2.09255 hours remaining, 235.792969 MB of memory in use. ENERGY: 2603400 4004.6253 20488.9027 14533.0449 258.3503 -203150.5622 2498.4092 0.0000 0.0000 52218.2015 -109149.0285 300.0987 -161367.2300 -108792.6096 299.6819 340.3816 375.1564 761716.7726 -18.9476 -19.0598 PRESSURE: 2603600 -306.553 5.707 50.728 5.70676 194.178 -43.5253 50.7283 -43.5254 114.491 GPRESSURE: 2603600 -220.687 85.4175 87.3823 38.3258 180.787 -54.0747 -25.0606 -122.597 124.41 PRESSAVG: 2603600 -7.52793 -35.8273 -6.57947 -35.8273 0.669406 -15.3484 -6.57937 -15.3483 12.5965 GPRESSAVG: 2603600 -7.49283 -32.7093 -4.57046 -36.4038 -0.631927 -13.1552 -6.59986 -14.4434 13.9883 TIMING: 2603600 CPU: 8224.46, 0.00314548/step Wall: 8224.46, 0.00314548/step, 2.09384 hours remaining, 235.781250 MB of memory in use. ENERGY: 2603600 3981.0421 20674.0617 14592.9483 242.5012 -203422.5990 2614.4388 0.0000 0.0000 52264.5340 -109053.0730 300.3650 -161317.6070 -108698.0078 299.8729 0.7051 28.1699 762099.8511 1.9127 1.9545 PRESSURE: 2603800 261.712 -5.37273 116.975 -5.37264 155.848 101.03 116.976 101.03 450.157 GPRESSURE: 2603800 312.438 -10.9755 110.363 20.119 168.92 284.646 119.413 -12.6918 447.91 PRESSAVG: 2603800 -8.08865 -23.5431 -0.637806 -23.543 9.19451 1.50416 -0.6378 1.50408 10.0725 GPRESSAVG: 2603800 -7.44478 -26.2268 -1.10165 -22.8796 10.4427 -2.11062 -1.16552 2.29503 8.11386 TIMING: 2603800 CPU: 8225.09, 0.00315143/step Wall: 8225.09, 0.00315143/step, 2.09763 hours remaining, 235.781250 MB of memory in use. ENERGY: 2603800 4030.3153 20495.4742 14574.3800 247.9729 -203060.9207 2470.4499 0.0000 0.0000 52087.3134 -109155.0150 299.3465 -161242.3283 -108792.7251 299.4197 289.2389 309.7561 761831.7583 3.7261 3.7039 PRESSURE: 2604000 -128.903 -191.9 -200.375 -191.9 72.3533 3.3623 -200.376 3.36305 -44.2954 GPRESSURE: 2604000 -58.5499 -131.216 -97.7745 -166.136 -6.45543 65.8731 -195.558 8.67148 32.9158 PRESSAVG: 2604000 18.9573 -19.1684 -8.60049 -19.1684 9.52116 66.684 -8.60052 66.684 -7.96745 GPRESSAVG: 2604000 18.9128 -19.5067 -8.90558 -20.1969 8.3763 69.4318 -8.61675 66.6553 -6.87135 TIMING: 2604000 CPU: 8225.72, 0.00313998/step Wall: 8225.72, 0.00313998/step, 2.08983 hours remaining, 235.781250 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: 2604000 3992.4542 20646.5396 14499.2457 240.9136 -203145.0318 2577.1749 0.0000 0.0000 52053.4345 -109135.2693 299.1518 -161188.7038 -108775.8699 299.6164 -33.6151 -10.6965 760817.8491 6.8370 6.8059 PRESSURE: 2604200 386.254 -4.57285 -28.4722 -4.57331 -147.278 37.6632 -28.4724 37.6628 26.0061 GPRESSURE: 2604200 297.929 -38.3528 -98.9664 102.855 -54.7263 -64.4929 -3.31444 125.608 106.284 PRESSAVG: 2604200 63.4831 -58.8929 -4.70532 -58.8929 4.10749 -64.8283 -4.70529 -64.8283 2.63754 GPRESSAVG: 2604200 62.9439 -59.1623 -3.37877 -57.0869 4.39476 -65.3827 -4.76826 -65.6357 2.814 TIMING: 2604200 CPU: 8226.35, 0.00314397/step Wall: 8226.35, 0.00314397/step, 2.09231 hours remaining, 235.781250 MB of memory in use. ENERGY: 2604200 3924.2980 20552.5082 14588.7525 253.3291 -203207.1201 2559.7909 0.0000 0.0000 52141.9397 -109186.5018 299.6604 -161328.4415 -108819.9258 299.6940 88.3276 116.4958 761593.6820 23.4094 23.3842 LDB: ============= START OF LOAD BALANCING ============== 8238.88 LDB: ============== END OF LOAD BALANCING =============== 8238.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8238.88 LDB: ============= START OF LOAD BALANCING ============== 8239.19 LDB: Largest compute 7077 load 0.031307 is 16.0% of average load 0.195556 LDB: Average compute 0.004395 is 2.2% of average load 0.195556 LDB: TIME 8239.2 LOAD: AVG 0.195556 MAX 0.218075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.926 MB LDB: TIME 8239.2 LOAD: AVG 0.195556 MAX 0.218075 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 8239.2 LOAD: AVG 0.195556 MAX 0.218075 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 8239.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8239.21 PRESSURE: 2604400 -282.03 -9.48615 -201.004 -9.48673 -133.264 239.474 -201.004 239.473 -145.317 GPRESSURE: 2604400 -255.115 55.7824 -169.698 14.4325 -104.349 127.579 -104.153 171.438 -107.031 PRESSAVG: 2604400 -30.144 17.8691 -12.6938 17.869 39.4593 -30.0484 -12.6938 -30.0485 2.13888 GPRESSAVG: 2604400 -30.1285 18.8559 -13.0908 17.0218 39.7861 -30.5113 -12.053 -30.8275 1.7756 TIMING: 2604400 CPU: 8226.99, 0.00320991/step Wall: 8226.99, 0.00320991/step, 2.13602 hours remaining, 234.671875 MB of memory in use. ENERGY: 2604400 3984.4358 20572.6859 14499.0792 270.1229 -203386.6753 2562.2359 0.0000 0.0000 52145.4458 -109352.6699 299.6806 -161498.1157 -108993.7324 299.4096 -186.8704 -155.4986 761542.6989 3.8181 3.8110 PRESSURE: 2604600 -27.965 -61.3352 280.69 -61.3354 56.0818 -32.2306 280.69 -32.2308 -154.816 GPRESSURE: 2604600 72.4906 79.802 288.593 -53.7106 81.4557 10.652 216.874 129.207 -193.59 PRESSAVG: 2604600 -7.96196 -21.0063 33.4508 -21.0063 44.6855 -18.8211 33.4508 -18.821 15.9865 GPRESSAVG: 2604600 -8.00089 -21.0651 32.7349 -20.1785 44.7725 -17.6421 31.9335 -18.5562 15.8722 TIMING: 2604600 CPU: 8227.62, 0.00317109/step Wall: 8227.62, 0.00317109/step, 2.11001 hours remaining, 234.875000 MB of memory in use. ENERGY: 2604600 4012.6363 20460.5684 14588.1849 250.5583 -203384.1566 2688.8614 0.0000 0.0000 52179.5099 -109203.8374 299.8764 -161383.3473 -108841.7995 299.4290 -42.2331 -13.2146 759973.5266 17.5700 17.5479 PRESSURE: 2604800 -11.3655 106.127 107.528 106.126 168.265 -22.3318 107.527 -22.3323 95.9845 GPRESSURE: 2604800 -49.1203 165.61 114.935 -26.8924 228.975 -105.578 43.7775 66.8444 140.297 PRESSAVG: 2604800 19.6577 29.8798 -34.5112 29.8798 -4.69255 44.3285 -34.5111 44.3285 -5.09891 GPRESSAVG: 2604800 19.0914 29.3327 -34.3132 27.9392 -5.85461 43.4716 -34.0771 46.1871 -3.11583 TIMING: 2604800 CPU: 8228.25, 0.0031442/step Wall: 8228.25, 0.0031442/step, 2.09194 hours remaining, 234.875000 MB of memory in use. ENERGY: 2604800 4092.8428 20428.7567 14458.7545 250.2736 -203313.5162 2709.2470 0.0000 0.0000 52112.1073 -109261.5342 299.4890 -161373.6415 -108894.7490 299.2204 84.2947 106.7173 760363.4191 3.2887 3.3737 PRESSURE: 2605000 -66.4245 252.882 36.4522 252.882 -315.899 58.6494 36.4518 58.6497 -148.717 GPRESSURE: 2605000 -67.1927 307.456 6.4092 260.503 -209.063 78.9974 57.708 159.273 -162.559 PRESSAVG: 2605000 -17.5388 50.5934 -10.9444 50.5935 30.7519 -2.8028 -10.9444 -2.8028 4.5404 GPRESSAVG: 2605000 -15.4242 51.0739 -10.4192 53.0615 30.9209 -3.33088 -10.9965 -3.73369 2.18272 TIMING: 2605000 CPU: 8228.88, 0.00314152/step Wall: 8228.88, 0.00314152/step, 2.08998 hours remaining, 234.875000 MB of memory in use. ENERGY: 2605000 3975.6496 20407.5940 14538.3843 241.1141 -202991.9277 2284.0625 0.0000 0.0000 52154.4708 -109390.6525 299.7325 -161545.1232 -109028.7029 299.3098 -177.0135 -146.2713 762185.5793 5.9178 5.8931 PRESSURE: 2605200 382.363 8.57054 -245.208 8.57063 149.961 41.129 -245.209 41.1284 224.37 GPRESSURE: 2605200 304.55 -98.7427 -144.502 -10.6547 302.048 -65.0314 -235.852 78.3995 221.68 PRESSAVG: 2605200 -9.68292 -45.2232 40.43 -45.2232 28.022 45.317 40.4301 45.3169 24.9183 GPRESSAVG: 2605200 -9.89012 -44.7867 39.7478 -45.0369 27.8126 45.5997 42.4726 43.2879 24.7068 TIMING: 2605200 CPU: 8229.51, 0.00314022/step Wall: 8229.51, 0.00314022/step, 2.08894 hours remaining, 234.875000 MB of memory in use. ENERGY: 2605200 3992.2469 20356.6264 14511.0021 247.7957 -203144.3523 2489.8551 0.0000 0.0000 52066.4410 -109480.3851 299.2266 -161546.8261 -109121.1969 299.2028 252.2313 276.0924 760012.8660 14.4192 14.2097 PRESSURE: 2605400 -229.517 -223.044 97.9573 -223.044 -266.792 -56.8317 97.958 -56.8322 -73.9578 GPRESSURE: 2605400 -171.1 -151.74 -12.035 -147.018 -288.959 -6.088 91.1863 -75.5889 -30.1128 PRESSAVG: 2605400 -5.70854 -19.625 57.992 -19.625 36.5239 -30.4776 57.992 -30.4776 -3.53773 GPRESSAVG: 2605400 -6.79496 -19.6584 58.332 -20.5956 37.1181 -32.2678 54.4033 -27.7002 -2.3511 TIMING: 2605400 CPU: 8230.14, 0.00314391/step Wall: 8230.14, 0.00314391/step, 2.09122 hours remaining, 234.875000 MB of memory in use. ENERGY: 2605400 4013.4605 20539.7341 14512.2262 245.6267 -202942.1018 2214.7048 0.0000 0.0000 52004.9742 -109411.3752 298.8733 -161416.3494 -109056.4051 299.7326 -190.0891 -163.3904 760875.8251 9.0926 9.3240 PRESSURE: 2605600 204.074 43.2521 -21.2989 43.2523 -195.55 -30.7792 -21.2986 -30.7794 -38.7673 GPRESSURE: 2605600 146.192 36.722 31.2863 53.5587 -144.466 9.99768 -43.0414 35.6704 64.4327 PRESSAVG: 2605600 -21.472 -26.2963 27.7682 -26.2963 -9.74573 18.6048 27.7683 18.6048 -4.3519 GPRESSAVG: 2605600 -20.5685 -25.6206 29.1484 -27.7861 -9.79021 19.0553 29.5861 19.5152 -4.67808 TIMING: 2605600 CPU: 8230.77, 0.00314927/step Wall: 8230.77, 0.00314927/step, 2.09462 hours remaining, 234.875000 MB of memory in use. ENERGY: 2605600 3911.7206 20492.0483 14562.3467 237.2096 -203171.5716 2593.7879 0.0000 0.0000 51980.9879 -109393.4705 298.7355 -161374.4584 -109044.1094 299.0614 -10.0812 22.0527 759784.4595 -11.8566 -11.6789 PRESSURE: 2605800 130.593 113.552 27.5274 113.551 325.443 -21.9967 27.5279 -21.9961 136.006 GPRESSURE: 2605800 241.897 83.1895 -24.7533 73.1233 277.765 13.467 3.00614 -60.8716 156.995 PRESSAVG: 2605800 35.0422 12.9815 49.4483 12.9815 -17.8976 -2.777 49.4483 -2.77705 11.0896 GPRESSAVG: 2605800 34.2421 11.6017 47.0739 12.9017 -17.4623 -1.28429 48.8174 -3.55002 11.9409 TIMING: 2605800 CPU: 8231.4, 0.0031499/step Wall: 8231.4, 0.0031499/step, 2.09486 hours remaining, 234.875000 MB of memory in use. ENERGY: 2605800 3972.6356 20474.1187 14414.3887 260.8794 -203253.8591 2693.0592 0.0000 0.0000 52194.1720 -109244.6056 299.9606 -161438.7776 -108878.5700 299.4007 197.3471 225.5523 760292.5730 9.4114 9.5736 PRESSURE: 2606000 -403.849 -70.3468 -270.565 -70.3461 27.6047 96.8791 -270.566 96.8796 -137.932 GPRESSURE: 2606000 -316.42 -112.961 -208.926 -97.6804 32.3245 85.9145 -192.503 56.6922 -146.57 PRESSAVG: 2606000 -7.25924 -30.1963 -19.0937 -30.1962 -42.8469 -49.9097 -19.0937 -49.9097 -18.9566 GPRESSAVG: 2606000 -5.55518 -28.4111 -17.759 -29.4064 -43.7114 -50.271 -17.1132 -49.5265 -20.033 TIMING: 2606000 CPU: 8232.03, 0.00315461/step Wall: 8232.03, 0.00315461/step, 2.09781 hours remaining, 234.875000 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: 2606000 3974.0042 20488.2270 14518.9448 255.8358 -202843.4818 2314.7218 0.0000 0.0000 52187.4110 -109104.3371 299.9218 -161291.7481 -108738.6072 299.5973 -171.3921 -143.5551 763847.4912 -23.0209 -23.0999 PRESSURE: 2606200 109.731 -84.5515 -52.6153 -84.551 20.1739 -36.0172 -52.6156 -36.0164 -23.5129 GPRESSURE: 2606200 244.568 -187.52 -99.3773 17.9776 -12.9828 -151.174 -95.4868 67.3914 -13.6607 PRESSAVG: 2606200 56.2969 -40.7394 6.36429 -40.7394 -54.74 20.183 6.36427 20.183 -5.21397 GPRESSAVG: 2606200 56.7706 -41.0744 5.30715 -39.9957 -54.9547 20.7818 6.34563 20.3234 -5.67917 TIMING: 2606200 CPU: 8232.66, 0.00314797/step Wall: 8232.66, 0.00314797/step, 2.09323 hours remaining, 235.132812 MB of memory in use. ENERGY: 2606200 4007.1428 20667.7450 14450.4288 234.1752 -203231.2169 2553.5202 0.0000 0.0000 52054.9455 -109263.2594 299.1605 -161318.2049 -108907.2488 299.6657 35.4639 72.6414 761641.2319 -1.2190 -1.2878 PRESSURE: 2606400 98.0898 26.4241 62.967 26.4245 59.1278 -258.769 62.9677 -258.768 -388.738 GPRESSURE: 2606400 72.0345 20.0204 125.078 -39.0273 108.588 -159.675 -69.107 -207.644 -336.209 PRESSAVG: 2606400 53.3318 -10.218 -11.5775 -10.2181 -61.9451 13.1624 -11.5775 13.1624 7.62803 GPRESSAVG: 2606400 52.073 -10.7843 -9.23149 -11.5446 -60.1018 12.8905 -13.0775 13.8176 6.84741 TIMING: 2606400 CPU: 8233.28, 0.00313589/step Wall: 8233.28, 0.00313589/step, 2.08502 hours remaining, 235.132812 MB of memory in use. ENERGY: 2606400 3978.2242 20438.8744 14429.6507 239.3594 -203055.2618 2541.1999 0.0000 0.0000 52130.5349 -109297.4185 299.5949 -161427.9533 -108930.6411 299.3765 -77.1735 -51.8621 760592.0955 -0.3284 -0.3938 PRESSURE: 2606600 -326.664 51.6711 47.3345 51.6716 -8.25112 -432.193 47.3342 -432.193 -468.402 GPRESSURE: 2606600 -284.042 84.741 23.596 -0.225968 -47.8496 -270.019 15.6149 -366.755 -414.82 PRESSAVG: 2606600 -5.18121 12.1576 33.102 12.1576 -42.0132 23.3594 33.102 23.3595 16.5674 GPRESSAVG: 2606600 -4.24278 12.6824 31.962 11.5313 -44.3418 22.2488 31.6125 22.0331 17.2193 TIMING: 2606600 CPU: 8233.91, 0.00313066/step Wall: 8233.91, 0.00313066/step, 2.08137 hours remaining, 235.132812 MB of memory in use. ENERGY: 2606600 3945.1355 20461.4310 14437.2375 232.0334 -202921.6268 2342.2279 0.0000 0.0000 51976.9958 -109526.5658 298.7125 -161503.5616 -109170.1324 299.0977 -267.7723 -248.9041 762521.9848 -10.2090 -10.4551 PRESSURE: 2606800 -8.64965 -276.539 -289.402 -276.54 158.708 154.759 -289.402 154.759 105.828 GPRESSURE: 2606800 -17.809 -98.2414 -362.551 -209.775 261.253 119.131 -124.704 145.235 98.5374 PRESSAVG: 2606800 61.6621 -39.2144 -17.3763 -39.2144 -52.3144 4.23431 -17.3763 4.23441 -2.10182 GPRESSAVG: 2606800 60.1707 -41.242 -18.9177 -37.9979 -50.9508 4.12212 -11.9107 4.91249 -1.77297 TIMING: 2606800 CPU: 8234.54, 0.00313237/step Wall: 8234.54, 0.00313237/step, 2.08233 hours remaining, 235.132812 MB of memory in use. ENERGY: 2606800 4016.3997 20311.1063 14527.0145 249.4624 -203835.7797 2786.4019 0.0000 0.0000 52437.3456 -109508.0494 301.3581 -161945.3950 -109149.8260 298.9722 85.2954 113.9937 759855.1600 2.4153 2.4823 PRESSURE: 2607000 -233.567 -20.2018 79.7449 -20.2014 -341.46 59.0334 79.7434 59.0327 -285.792 GPRESSURE: 2607000 -258.191 -19.3905 107.947 34.4647 -251.273 -1.56493 43.0433 -51.5573 -262.637 PRESSAVG: 2607000 66.2159 -22.8518 -43.8676 -22.8517 -86.8643 25.547 -43.8675 25.547 -14.0373 GPRESSAVG: 2607000 66.8587 -21.6799 -44.4 -23.012 -87.1509 27.6909 -45.2619 24.7991 -14.5846 TIMING: 2607000 CPU: 8235.16, 0.00313476/step Wall: 8235.16, 0.00313476/step, 2.08374 hours remaining, 235.132812 MB of memory in use. ENERGY: 2607000 4084.3051 20444.7477 14518.7039 256.6133 -203398.2317 2646.7564 0.0000 0.0000 51992.2019 -109454.9036 298.7999 -161447.1054 -109098.7845 299.3581 -286.9398 -257.3670 763109.2564 -11.5619 -11.6256 PRESSURE: 2607200 -272.872 -161.75 -321.136 -161.75 -247.257 -111.232 -321.136 -111.233 359.103 GPRESSURE: 2607200 -214.429 -129.566 -321.5 -132.529 -176.635 27.1699 -270.38 -114.86 305.386 PRESSAVG: 2607200 39.5466 -44.3835 -43.0478 -44.3835 -30.3741 -26.1879 -43.0477 -26.1879 -2.01002 GPRESSAVG: 2607200 39.3658 -43.0516 -43.0062 -44.1268 -30.8953 -28.3369 -45.205 -25.7229 -2.05072 TIMING: 2607200 CPU: 8235.79, 0.00315329/step Wall: 8235.79, 0.00315329/step, 2.09589 hours remaining, 235.132812 MB of memory in use. ENERGY: 2607200 4040.0395 20423.6001 14524.0074 259.4870 -202792.9905 2414.0427 0.0000 0.0000 51754.2683 -109377.5455 297.4325 -161131.8138 -109018.7315 298.7286 -53.6753 -28.5591 761954.8598 2.3875 2.1399 PRESSURE: 2607400 -5.15623 -279.263 56.5474 -279.263 -129.051 11.0456 56.5471 11.0457 -17.2499 GPRESSURE: 2607400 11.6706 -181.638 -37.7443 -338.875 -20.9635 -22.2428 -56.1941 150.967 -59.1771 PRESSAVG: 2607400 16.3144 5.66939 -103.966 5.66946 -3.25703 8.08008 -103.966 8.08014 -36.4399 GPRESSAVG: 2607400 16.7946 4.11426 -103.064 3.19629 -3.06077 7.74946 -103.857 9.4601 -36.8679 TIMING: 2607400 CPU: 8236.42, 0.00313479/step Wall: 8236.42, 0.00313479/step, 2.08342 hours remaining, 235.132812 MB of memory in use. ENERGY: 2607400 3954.1347 20533.2434 14470.9509 230.4741 -203138.1953 2382.5298 0.0000 0.0000 52277.3033 -109289.5591 300.4384 -161566.8623 -108937.9764 299.2767 -50.4859 -22.8233 761061.1218 -7.7942 -7.7114 PRESSURE: 2607600 313.719 -37.0464 -377.553 -37.0465 202.178 37.9394 -377.553 37.9397 3.00327 GPRESSURE: 2607600 260.803 -8.14511 -395.981 16.5225 302.121 23.151 -226.04 47.7904 31.1667 PRESSAVG: 2607600 -40.6822 -27.4009 -46.2517 -27.4009 21.9245 52.4803 -46.2517 52.4803 -10.797 GPRESSAVG: 2607600 -41.8269 -27.0407 -46.6644 -25.5708 22.5836 55.4883 -44.4865 52.2468 -10.1281 TIMING: 2607600 CPU: 8237.05, 0.00313574/step Wall: 8237.05, 0.00313574/step, 2.08387 hours remaining, 235.132812 MB of memory in use. ENERGY: 2607600 4067.6536 20436.3581 14528.6507 251.5278 -203828.0165 3068.1501 0.0000 0.0000 52205.4030 -109270.2731 300.0252 -161475.6762 -108904.9995 299.6996 172.9666 198.0304 761047.2564 -9.8516 -9.7904 PRESSURE: 2607800 -223.207 -69.0659 38.7228 -69.0661 -145.014 -58.1608 38.7237 -58.1613 -226.71 GPRESSURE: 2607800 -224.8 -72.4438 130.993 -71.7337 -93.0081 -57.2833 -43.7672 -32.7943 -191.322 PRESSAVG: 2607800 -0.0645063 -13.3556 -38.6905 -13.3557 7.91791 -9.95659 -38.6906 -9.95657 -8.94539 GPRESSAVG: 2607800 0.476812 -12.9256 -37.3952 -13.0709 6.76885 -11.7892 -40.5205 -10.1127 -8.34965 TIMING: 2607800 CPU: 8237.68, 0.00313562/step Wall: 8237.68, 0.00313562/step, 2.08362 hours remaining, 235.132812 MB of memory in use. ENERGY: 2607800 4081.4689 20460.9444 14432.6712 233.7275 -203736.7985 2846.5683 0.0000 0.0000 52286.4909 -109394.9275 300.4912 -161681.4184 -109038.3084 299.0343 -198.3106 -169.7098 762210.3043 -0.3640 -0.3680 PRESSURE: 2608000 -53.8683 182.991 -0.270397 182.991 -110.968 158.592 -0.270681 158.592 -63.5495 GPRESSURE: 2608000 -48.731 199.203 43.364 194.662 20.8593 124.311 31.5987 237.706 -112.706 PRESSAVG: 2608000 -5.33792 -10.4014 -42.5032 -10.4015 -13.1719 24.0951 -42.5032 24.0951 -7.6892 GPRESSAVG: 2608000 -3.97161 -10.6001 -44.7427 -11.1413 -12.5655 23.9874 -40.9788 23.7356 -9.74313 TIMING: 2608000 CPU: 8238.3, 0.00314559/step Wall: 8238.3, 0.00314559/step, 2.09007 hours remaining, 235.132812 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: 2608000 4031.8269 20512.7412 14426.3577 229.7755 -203648.4619 2802.5981 0.0000 0.0000 52022.4332 -109622.7294 298.9736 -161645.1626 -109258.2315 298.7417 -76.1286 -46.8594 762555.7487 -8.7330 -8.7601 PRESSURE: 2608200 -55.8919 -46.8303 -241.999 -46.83 -135.06 12.1079 -242 12.1063 -135.745 GPRESSURE: 2608200 -63.417 -26.4776 -211.462 6.40837 -56.7718 32.8603 -275.934 16.1702 -108.129 PRESSAVG: 2608200 25.6496 15.1455 -19.4602 15.1455 6.02991 -25.8225 -19.4602 -25.8225 13.4761 GPRESSAVG: 2608200 24.2352 16.1423 -17.9224 15.2922 5.6854 -25.1216 -20.25 -25.0286 15.0287 TIMING: 2608200 CPU: 8238.93, 0.00314833/step Wall: 8238.93, 0.00314833/step, 2.09172 hours remaining, 235.132812 MB of memory in use. ENERGY: 2608200 3950.5680 20471.9570 14419.6413 261.0162 -203612.1589 2843.4921 0.0000 0.0000 51916.1158 -109749.3685 298.3626 -161665.4843 -109384.7312 299.1154 -108.8991 -76.1060 762806.0024 15.0519 14.9831 LDB: ============= START OF LOAD BALANCING ============== 8251.47 LDB: ============== END OF LOAD BALANCING =============== 8251.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8251.47 LDB: ============= START OF LOAD BALANCING ============== 8251.78 LDB: Largest compute 7077 load 0.031692 is 16.2% of average load 0.195489 LDB: Average compute 0.004383 is 2.2% of average load 0.195489 LDB: TIME 8251.79 LOAD: AVG 0.195489 MAX 0.215437 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.441 MB LDB: TIME 8251.79 LOAD: AVG 0.195489 MAX 0.215437 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: TIME 8251.79 LOAD: AVG 0.195489 MAX 0.215437 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.645 MB LDB: ============== END OF LOAD BALANCING =============== 8251.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8251.79 PRESSURE: 2608400 106.01 19.6537 15.4716 19.6541 19.2484 345.125 15.4716 345.127 -285.339 GPRESSURE: 2608400 206.319 27.2597 49.6768 -92.6448 12.4391 369.575 -66.6847 202.391 -285.268 PRESSAVG: 2608400 9.10819 -37.9719 -59.2573 -37.9719 -35.1625 -45.4402 -59.2573 -45.4403 -1.19361 GPRESSAVG: 2608400 9.73159 -39.5254 -59.619 -38.6271 -34.2643 -46.5815 -57.6137 -48.5336 -2.15456 TIMING: 2608400 CPU: 8239.58, 0.00320698/step Wall: 8239.58, 0.00320698/step, 2.1305 hours remaining, 234.671875 MB of memory in use. ENERGY: 2608400 4045.1641 20400.7462 14413.9724 239.2590 -203817.5561 2710.2717 0.0000 0.0000 52174.1608 -109833.9820 299.8456 -162008.1428 -109478.9116 298.8419 -53.3601 -22.1698 761368.4625 -9.0826 -8.8958 PRESSURE: 2608600 -147.6 116.899 47.1843 116.899 41.5284 13.8444 47.185 13.8446 181.601 GPRESSURE: 2608600 -120.868 122.271 -18.021 99.8466 29.7686 37.6758 77.8904 84.1832 261.793 PRESSAVG: 2608600 7.84616 53.796 -41.0989 53.796 13.1509 -77.0348 -41.099 -77.0349 3.9491 GPRESSAVG: 2608600 7.51885 53.1189 -41.1428 52.5795 12.5683 -76.3795 -41.3754 -74.0595 5.01012 TIMING: 2608600 CPU: 8240.2, 0.00313378/step Wall: 8240.2, 0.00313378/step, 2.0817 hours remaining, 234.875000 MB of memory in use. ENERGY: 2608600 3947.1727 20417.1955 14412.2913 258.2036 -203708.7339 2506.2326 0.0000 0.0000 51938.8133 -110228.8248 298.4931 -162167.6380 -109869.1247 298.1142 25.1764 56.8978 759836.4242 8.3154 8.3658 PRESSURE: 2608800 -381.092 -55.9119 -199.811 -55.9119 -185.863 -93.1229 -199.811 -93.1227 -819.325 GPRESSURE: 2608800 -294.577 -122.704 -119.735 -48.0473 -219.352 -51.3243 -165.263 -132.212 -804.944 PRESSAVG: 2608800 -20.2726 1.24534 -25.7051 1.24532 -3.74382 -23.7876 -25.7051 -23.7877 -15.6856 GPRESSAVG: 2608800 -19.329 1.78726 -23.3395 3.34249 -4.25692 -24.1455 -27.7023 -23.7618 -16.4033 TIMING: 2608800 CPU: 8240.83, 0.00313476/step Wall: 8240.83, 0.00313476/step, 2.08218 hours remaining, 234.875000 MB of memory in use. ENERGY: 2608800 4112.1010 20399.2918 14481.3458 231.4961 -203277.7541 2284.9765 0.0000 0.0000 51547.7557 -110220.7873 296.2457 -161768.5429 -109850.1393 297.4337 -462.0934 -439.6241 761201.7967 -13.2340 -13.3298 PRESSURE: 2609000 92.2573 144.034 61.1288 144.034 81.5795 74.3076 61.1297 74.3078 116.741 GPRESSURE: 2609000 116.255 144.561 14.7137 162.372 111 27.0649 -28.8562 -0.962311 152.867 PRESSAVG: 2609000 -31.1148 -0.338957 -21.8526 -0.338947 10.9997 -40.9926 -21.8526 -40.9927 9.92371 GPRESSAVG: 2609000 -30.7609 0.374684 -22.3669 -0.545474 10.9099 -41.3638 -21.3222 -39.5149 8.95561 TIMING: 2609000 CPU: 8241.46, 0.00314092/step Wall: 8241.46, 0.00314092/step, 2.08609 hours remaining, 234.875000 MB of memory in use. ENERGY: 2609000 3977.0192 20496.4893 14441.7113 230.2432 -203428.7299 2603.9405 0.0000 0.0000 51842.6013 -109836.7251 297.9401 -161679.3264 -109475.5989 297.3835 96.8593 126.7076 761066.8459 -3.3971 -3.6318 PRESSURE: 2609200 82.9216 -41.0925 61.2267 -41.0925 482.081 154.926 61.2269 154.926 81.3602 GPRESSURE: 2609200 54.5032 -49.4413 102.771 -38.0163 481.606 175.273 -52.1622 139.408 197.721 PRESSAVG: 2609200 25.8027 5.04295 47.1108 5.04295 1.59051 29.5638 47.1107 29.5638 3.33647 GPRESSAVG: 2609200 24.0201 5.77587 45.8025 3.71958 1.32585 31.2477 45.8118 28.4118 5.57865 TIMING: 2609200 CPU: 8242.08, 0.00312887/step Wall: 8242.08, 0.00312888/step, 2.07792 hours remaining, 234.875000 MB of memory in use. ENERGY: 2609200 3965.4144 20382.9140 14488.8979 239.5266 -203734.5734 2834.0908 0.0000 0.0000 51982.2181 -109841.5116 298.7425 -161823.7296 -109484.0821 298.5990 215.4543 244.6101 761151.4879 10.2432 10.3082 PRESSURE: 2609400 -462.661 14.7049 113.008 14.7049 -4.32603 110.184 113.008 110.184 -113.597 GPRESSURE: 2609400 -353.136 51.9713 42.4872 30.867 -19.1322 43.505 175.482 35.1863 -134.332 PRESSAVG: 2609400 25.5252 1.22914 8.87067 1.22914 -9.35636 11.1462 8.87072 11.1462 8.41171 GPRESSAVG: 2609400 25.4517 1.58445 9.50628 3.14973 -7.25328 11.0202 10.3677 11.8562 6.89905 TIMING: 2609400 CPU: 8242.71, 0.00312857/step Wall: 8242.71, 0.00312857/step, 2.07754 hours remaining, 234.875000 MB of memory in use. ENERGY: 2609400 3986.6291 20472.0213 14443.7420 248.6550 -203713.5612 2768.4981 0.0000 0.0000 52003.7316 -109790.2841 298.8662 -161794.0157 -109421.6330 298.2290 -193.5281 -168.8669 763190.0698 8.1935 8.3658 PRESSURE: 2609600 -193.621 -109.299 -38.3652 -109.299 -97.4965 -50.6907 -38.3648 -50.6906 42.8456 GPRESSURE: 2609600 -130.997 -52.2269 -14.0416 -156.026 -122.13 -13.1687 24.1569 -14.4325 79.075 PRESSAVG: 2609600 13.2882 -0.996018 -10.16 -0.995966 22.8512 -10.512 -10.16 -10.512 -1.91721 GPRESSAVG: 2609600 13.9359 -3.58219 -10.6186 -0.734173 22.0643 -10.8182 -9.24602 -9.40484 -2.5637 TIMING: 2609600 CPU: 8243.34, 0.00314186/step Wall: 8243.34, 0.00314186/step, 2.0862 hours remaining, 234.875000 MB of memory in use. ENERGY: 2609600 3927.5964 20614.6858 14528.6348 223.4741 -203287.9912 2648.6349 0.0000 0.0000 51800.0214 -109544.9438 297.6954 -161344.9653 -109179.6879 298.8574 -82.7573 -58.0176 764902.8793 11.4074 11.1455 PRESSURE: 2609800 -223.519 -14.9577 -22.956 -14.9581 -375.718 2.47034 -22.9552 2.47161 -410.446 GPRESSURE: 2609800 -168.503 -39.9517 -4.28975 26.3434 -390.135 -42.6841 -53.9152 58.9396 -369.799 PRESSAVG: 2609800 35.2184 -9.38761 -30.4049 -9.38762 -35.7451 8.1247 -30.4049 8.12473 7.14105 GPRESSAVG: 2609800 34.3741 -7.76901 -29.1846 -9.87756 -36.186 8.87516 -30.9812 4.85209 7.88582 TIMING: 2609800 CPU: 8243.96, 0.00312805/step Wall: 8243.96, 0.00312805/step, 2.07685 hours remaining, 234.875000 MB of memory in use. ENERGY: 2609800 3962.1858 20524.5286 14494.9642 251.3436 -203533.5534 2650.6746 0.0000 0.0000 52246.6421 -109403.2144 300.2622 -161649.8565 -109036.2358 299.2875 -336.5611 -309.4789 763519.6419 2.2048 2.0246 PRESSURE: 2610000 -15.755 -155.748 -226.452 -155.748 -209.089 -57.1192 -226.452 -57.12 -471.051 GPRESSURE: 2610000 -15.8997 -176.025 -205.977 -128.226 -159.022 -4.60281 -289.32 42.423 -421.892 PRESSAVG: 2610000 -22.6032 -1.10953 -80.368 -1.1095 23.1403 26.1842 -80.3679 26.1843 -23.4131 GPRESSAVG: 2610000 -22.4321 -1.70244 -81.9525 -1.34331 23.5975 26.0726 -81.6472 25.6273 -23.9584 TIMING: 2610000 CPU: 8244.59, 0.00312997/step Wall: 8244.59, 0.00312997/step, 2.07795 hours remaining, 234.875000 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: 2610000 3904.9206 20591.6728 14551.5023 259.8550 -203410.4017 2424.1443 0.0000 0.0000 52116.0935 -109562.2133 299.5119 -161678.3068 -109198.9779 299.0240 -231.9648 -198.9378 762301.6507 -7.6253 -7.5977 PRESSURE: 2610200 -73.4969 141.681 -343.918 141.681 88.3663 253.232 -343.918 253.233 -216.549 GPRESSURE: 2610200 -40.0485 117.528 -234.69 216.625 142.144 282.921 -310.849 119.743 -219.478 PRESSAVG: 2610200 5.47739 5.4516 -46.422 5.45157 -19.0332 -39.4355 -46.422 -39.4355 27.9705 GPRESSAVG: 2610200 5.66846 4.75591 -45.6871 5.98324 -19.1 -39.8846 -44.6297 -39.575 27.4405 TIMING: 2610200 CPU: 8245.22, 0.00314246/step Wall: 8245.22, 0.00314246/step, 2.08607 hours remaining, 234.875000 MB of memory in use. ENERGY: 2610200 3911.5429 20497.9872 14476.2913 239.9493 -203601.4420 2670.7962 0.0000 0.0000 52190.3362 -109614.5389 299.9386 -161804.8752 -109248.3821 299.3922 -67.2264 -39.1275 761680.9131 4.8049 4.6696 PRESSURE: 2610400 97.2799 25.1268 -128.909 25.1263 -76.1462 32.4499 -128.91 32.4496 88.0239 GPRESSURE: 2610400 134.471 63.772 -18.1819 -55.74 -36.7445 101.392 -53.3377 -103.738 100.639 PRESSAVG: 2610400 -9.25543 -0.600078 -25.3207 -0.600073 1.0439 -37.8796 -25.3207 -37.8796 -10.4804 GPRESSAVG: 2610400 -10.0595 -1.98899 -25.832 1.18438 0.834585 -36.5697 -25.718 -38.2876 -9.17383 TIMING: 2610400 CPU: 8245.85, 0.00314382/step Wall: 8245.85, 0.00314382/step, 2.0868 hours remaining, 234.875000 MB of memory in use. ENERGY: 2610400 3910.5679 20433.2289 14447.2349 260.1427 -203552.0623 2801.9961 0.0000 0.0000 52102.0734 -109596.8184 299.4313 -161698.8918 -109239.7381 298.8316 36.3859 66.1219 761675.6547 -6.2306 -6.1329 PRESSURE: 2610600 27.5041 -146.901 55.5493 -146.901 -75.6266 27.1955 55.5497 27.1958 -308.146 GPRESSURE: 2610600 65.9185 -200.816 44.7548 -89.9373 -26.9997 9.91151 207.789 10.3057 -312.949 PRESSAVG: 2610600 -30.0202 4.4992 -24.0072 4.49913 49.7744 22.0985 -24.0073 22.0984 -7.30941 GPRESSAVG: 2610600 -29.1505 3.38067 -25.2142 2.48952 50.1132 21.034 -23.3631 21.6876 -8.68538 TIMING: 2610600 CPU: 8246.47, 0.00313397/step Wall: 8246.47, 0.00313397/step, 2.08009 hours remaining, 234.875000 MB of memory in use. ENERGY: 2610600 3963.8698 20411.9839 14405.5191 230.0018 -203313.3468 2672.2707 0.0000 0.0000 52195.7074 -109433.9942 299.9694 -161629.7016 -109072.6387 298.7838 -118.7562 -91.3435 762915.7555 4.1483 4.0924 PRESSURE: 2610800 -63.2683 -0.572947 91.7806 -0.573016 127.04 -63.6345 91.7801 -63.6342 110.483 GPRESSURE: 2610800 -63.7734 24.4002 135.331 73.9545 196.198 -41.2609 1.07994 12.4497 102.084 PRESSAVG: 2610800 24.9092 -45.1427 4.5451 -45.1427 -5.3385 -19.3502 4.54511 -19.3501 7.25479 GPRESSAVG: 2610800 24.37 -43.1102 6.78315 -44.7516 -5.59163 -19.6649 2.77387 -17.5671 8.42653 TIMING: 2610800 CPU: 8247.1, 0.00312306/step Wall: 8247.1, 0.00312306/step, 2.07267 hours remaining, 234.875000 MB of memory in use. ENERGY: 2610800 3935.6209 20430.9887 14532.9282 236.1981 -203913.6041 2959.9873 0.0000 0.0000 52292.1965 -109525.6844 300.5240 -161817.8809 -109161.5128 299.1139 58.0848 78.1692 760174.9302 8.9418 9.0683 PRESSURE: 2611000 102.484 25.9102 -8.25988 25.9106 282.237 22.4223 -8.25974 22.4216 -49.8476 GPRESSURE: 2611000 81.9993 -38.8611 49.842 -24.925 374.961 106.874 -121.573 -172.62 -40.0413 PRESSAVG: 2611000 -28.7715 -44.1841 -26.5598 -44.1841 35.4541 -26.9645 -26.5598 -26.9645 -6.03704 GPRESSAVG: 2611000 -29.986 -44.2279 -26.9952 -45.5002 37.1772 -26.2297 -25.3962 -27.6417 -6.59758 TIMING: 2611000 CPU: 8247.72, 0.00311893/step Wall: 8247.72, 0.00311893/step, 2.06976 hours remaining, 234.875000 MB of memory in use. ENERGY: 2611000 4014.5098 20589.4607 14430.1579 229.6185 -203483.6206 2723.6438 0.0000 0.0000 51918.0129 -109578.2170 298.3735 -161496.2299 -109216.0903 298.6370 111.6247 138.9729 761342.6378 0.2152 0.1979 PRESSURE: 2611200 349.87 -21.014 386.86 -21.0142 138.791 129.635 386.859 129.636 5.61512 GPRESSURE: 2611200 282.73 -83.2243 446.037 -97.0831 175.933 109.748 270.056 214.988 124.681 PRESSAVG: 2611200 10.355 -27.5624 -24.7821 -27.5623 2.83893 -30.3941 -24.7821 -30.3941 2.72999 GPRESSAVG: 2611200 11.6538 -26.3481 -26.9579 -25.8858 0.783054 -30.8985 -25.4304 -28.3592 3.37915 TIMING: 2611200 CPU: 8248.35, 0.00313701/step Wall: 8248.35, 0.00313701/step, 2.08158 hours remaining, 234.875000 MB of memory in use. ENERGY: 2611200 4018.7281 20552.0756 14518.3598 244.4529 -203851.1703 3114.6027 0.0000 0.0000 51685.8472 -109717.1040 297.0393 -161402.9512 -109368.6140 298.4497 164.7587 194.4480 762366.3692 5.3080 5.2720 PRESSURE: 2611400 -35.5763 -40.2872 -1.30679 -40.2862 166.895 -309.106 -1.30702 -309.105 -39.5139 GPRESSURE: 2611400 -28.7932 -25.1673 49.934 -12.8272 201.321 -313.833 27.5642 -133.02 -10.6428 PRESSAVG: 2611400 -51.9677 -4.77488 -7.16537 -4.77487 57.482 -33.2606 -7.16537 -33.2606 32.9381 GPRESSAVG: 2611400 -52.5439 -5.38244 -6.15925 -5.00336 58.7508 -34.0802 -5.82519 -35.0442 32.3985 TIMING: 2611400 CPU: 8248.97, 0.00311896/step Wall: 8248.97, 0.00311896/step, 2.06943 hours remaining, 234.875000 MB of memory in use. ENERGY: 2611400 3973.5038 20502.4061 14446.9135 247.7806 -203147.9928 2394.3615 0.0000 0.0000 51750.7336 -109832.2938 297.4122 -161583.0273 -109476.9820 298.3634 30.6017 53.9618 761715.1930 12.8175 12.8685 PRESSURE: 2611600 192.593 154.106 -21.95 154.105 274.31 40.9297 -21.9507 40.9293 -78.5004 GPRESSURE: 2611600 238.433 153.537 -87.0534 185.564 207.666 45.3219 -119.229 -2.68558 27.8365 PRESSAVG: 2611600 -17.2758 5.73115 -15.8829 5.73119 43.1322 -34.9149 -15.8829 -34.9148 11.4178 GPRESSAVG: 2611600 -16.9939 5.34454 -15.7919 6.342 41.4372 -33.7561 -16.3616 -34.1308 12.9063 TIMING: 2611600 CPU: 8249.6, 0.00313418/step Wall: 8249.6, 0.00313418/step, 2.07935 hours remaining, 234.875000 MB of memory in use. ENERGY: 2611600 4000.3019 20531.2814 14466.4811 240.5922 -203574.2876 2733.7099 0.0000 0.0000 51911.9753 -109689.9459 298.3388 -161601.9212 -109330.8580 298.1357 129.4679 157.9786 760517.0514 12.4247 12.4499 PRESSURE: 2611800 -516.582 -127.863 142.947 -127.864 -83.6517 51.2571 142.947 51.2569 13.8809 GPRESSURE: 2611800 -345.932 -120.874 157.504 -66.6501 -85.6678 101.282 185.828 41.1396 -58.5983 PRESSAVG: 2611800 -58.8727 11.6675 -0.734645 11.6676 56.5246 13.367 -0.734668 13.3668 -3.94571 GPRESSAVG: 2611800 -58.0771 11.3835 -1.55778 12.7644 58.2696 12.6117 -0.465062 13.1395 -5.95027 TIMING: 2611800 CPU: 8250.23, 0.00313989/step Wall: 8250.23, 0.00313989/step, 2.08297 hours remaining, 234.875000 MB of memory in use. ENERGY: 2611800 3956.1530 20329.0512 14515.2722 248.3182 -203183.8992 2551.1277 0.0000 0.0000 51716.7651 -109867.2118 297.2170 -161583.9769 -109514.8373 298.0700 -195.4510 -163.3992 762216.1677 -2.0979 -1.9193 PRESSURE: 2612000 -432.018 60.6539 -275.074 60.6543 -170.857 93.1182 -275.074 93.1183 -6.35026 GPRESSURE: 2612000 -461.377 48.2394 -221.906 39.6208 -148.849 114.703 -209.782 66.4804 75.1071 PRESSAVG: 2612000 -17.9927 3.36815 -38.2034 3.3681 30.1115 -13.1693 -38.2035 -13.1692 0.75752 GPRESSAVG: 2612000 -18.1884 4.47887 -36.6716 0.570732 30.3446 -11.796 -39.0478 -12.2022 0.825706 TIMING: 2612000 CPU: 8250.85, 0.0031298/step Wall: 8250.85, 0.0031298/step, 2.0761 hours remaining, 234.875000 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: 2612000 3953.1578 20423.3309 14470.4306 255.8141 -203397.9571 2540.8696 0.0000 0.0000 51871.4297 -109882.9244 298.1058 -161754.3541 -109517.5727 297.7017 -203.0750 -178.3731 762109.4964 4.2921 4.3273 PRESSURE: 2612200 437.46 9.64789 -167.119 9.64711 -0.81845 -23.3326 -167.12 -23.3329 -132.492 GPRESSURE: 2612200 433.825 36.7043 -251.813 110.792 87.9332 -21.9127 -120.727 -135.338 -139.598 PRESSAVG: 2612200 -37.2296 -21.2509 30.5375 -21.2508 48.7913 -9.60129 30.5376 -9.60127 17.1243 GPRESSAVG: 2612200 -38.2091 -21.5774 29.4441 -20.7915 47.649 -9.76198 30.2569 -12.6279 19.3482 TIMING: 2612200 CPU: 8251.48, 0.00315018/step Wall: 8251.48, 0.00315018/step, 2.08945 hours remaining, 234.875000 MB of memory in use. ENERGY: 2612200 3984.7641 20607.6242 14426.2073 238.9817 -203389.9995 2656.2905 0.0000 0.0000 51747.5711 -109728.5605 297.3940 -161476.1316 -109368.0339 297.8478 101.3834 127.3866 761400.0872 9.5620 9.5960 LDB: ============= START OF LOAD BALANCING ============== 8264.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8264.02 LDB: =============== DONE WITH MIGRATION ================ 8264.02 LDB: ============= START OF LOAD BALANCING ============== 8264.33 LDB: Largest compute 7076 load 0.030258 is 15.5% of average load 0.195608 LDB: Average compute 0.004372 is 2.2% of average load 0.195608 LDB: TIME 8264.34 LOAD: AVG 0.195608 MAX 0.213273 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.215 MB LDB: TIME 8264.34 LOAD: AVG 0.195608 MAX 0.213273 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: TIME 8264.34 LOAD: AVG 0.195608 MAX 0.213273 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: ============== END OF LOAD BALANCING =============== 8264.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8264.34 PRESSURE: 2612400 30.1208 82.6277 -119.155 82.6269 8.53198 -48.1276 -119.155 -48.128 100.904 GPRESSURE: 2612400 58.8074 171.082 -53.0738 -16.6007 -3.18335 -38.3016 -205.763 -45.0087 164.25 PRESSAVG: 2612400 -2.43111 -9.7524 -56.5448 -9.75242 -22.5497 -34.4969 -56.5449 -34.4968 13.5263 GPRESSAVG: 2612400 -2.41634 -10.5837 -55.3847 -10.0616 -21.7205 -35.4014 -56.2966 -31.3104 12.4178 TIMING: 2612400 CPU: 8252.13, 0.00322275/step Wall: 8252.13, 0.00322275/step, 2.1374 hours remaining, 234.488281 MB of memory in use. ENERGY: 2612400 3986.7364 20617.4100 14428.8079 260.8160 -203498.4210 2740.2902 0.0000 0.0000 51826.5205 -109637.8399 297.8477 -161464.3604 -109284.8598 298.3706 46.5188 73.2912 762643.3342 -3.8181 -3.9063 PRESSURE: 2612600 103.031 -65.3515 99.5971 -65.3513 115.966 38.6157 99.5976 38.6153 -290.211 GPRESSURE: 2612600 171.769 -30.9735 136.295 0.619009 127.306 87.1252 81.4707 111.612 -279.21 PRESSAVG: 2612600 35.814 -42.231 -74.9988 -42.231 -31.3816 -33.7353 -74.9988 -33.7354 -5.26448 GPRESSAVG: 2612600 36.0001 -42.1186 -76.2462 -40.5092 -32.1757 -34.4398 -74.3597 -33.8261 -4.65974 TIMING: 2612600 CPU: 8252.76, 0.00314259/step Wall: 8252.76, 0.00314259/step, 2.08406 hours remaining, 234.488281 MB of memory in use. ENERGY: 2612600 3960.4683 20421.8338 14478.1329 244.4656 -203605.2412 2814.1929 0.0000 0.0000 51877.1140 -109809.0337 298.1385 -161686.1478 -109440.5562 297.9045 -23.7381 6.6216 762799.6572 -0.2774 -0.2784 PRESSURE: 2612800 -131.19 -185.504 216.937 -185.504 -189.98 -103.959 216.937 -103.959 -91.9471 GPRESSURE: 2612800 -141.05 -229.503 180.861 -116.361 -92.2317 -125.055 321.869 -60.8334 -89.7232 PRESSAVG: 2612800 -9.88346 32.5918 -13.3302 32.5918 -0.933508 -36.9157 -13.3301 -36.9158 9.57234 GPRESSAVG: 2612800 -9.6514 32.234 -12.9066 30.2994 -1.48395 -34.1116 -13.7969 -37.372 9.82184 TIMING: 2612800 CPU: 8253.38, 0.00312808/step Wall: 8253.38, 0.00312808/step, 2.07427 hours remaining, 234.691406 MB of memory in use. ENERGY: 2612800 3975.3325 20452.2901 14411.9208 239.1823 -203040.5555 2396.6769 0.0000 0.0000 51748.7990 -109816.3539 297.4011 -161565.1529 -109454.3729 297.8400 -137.7055 -107.6684 763198.1580 -0.4149 -0.4378 PRESSURE: 2613000 76.6742 251.084 -22.8067 251.084 -19.6408 91.8764 -22.8062 91.8753 -146.712 GPRESSURE: 2613000 160.35 220.949 -1.80261 233.659 -3.07257 64.5771 10.4021 54.1977 -159.336 PRESSAVG: 2613000 -39.5725 22.654 -26.898 22.654 -3.8656 48.2917 -26.898 48.2917 -2.16635 GPRESSAVG: 2613000 -39.7776 22.2949 -26.3195 24.6419 -2.81929 47.1311 -24.0265 46.4499 -3.26486 TIMING: 2613000 CPU: 8254.01, 0.00315047/step Wall: 8254.01, 0.00315047/step, 2.08894 hours remaining, 234.691406 MB of memory in use. ENERGY: 2613000 4010.5394 20364.7730 14369.7747 263.9681 -203461.7042 2743.3094 0.0000 0.0000 51840.1860 -109869.1535 297.9263 -161709.3395 -109511.0176 297.9744 -29.8927 -0.6861 761976.6867 -15.2015 -15.2872 PRESSURE: 2613200 -222.076 61.7038 150.036 61.7045 -3.98982 -46.0384 150.037 -46.0372 211.929 GPRESSURE: 2613200 -195.111 60.0751 38.7152 18.7509 42.8669 -59.4111 36.3457 108.501 197.328 PRESSAVG: 2613200 3.41858 28.307 -23.1492 28.3071 29.0425 -4.01506 -23.1493 -4.01506 7.11259 GPRESSAVG: 2613200 4.29358 29.9193 -24.453 27.3332 27.871 -4.6363 -26.2052 -1.64641 7.60538 TIMING: 2613200 CPU: 8254.64, 0.00313762/step Wall: 8254.64, 0.00313762/step, 2.08024 hours remaining, 234.691406 MB of memory in use. ENERGY: 2613200 4036.6629 20485.3129 14447.1811 255.9765 -203602.6743 2761.2927 0.0000 0.0000 51791.8584 -109824.3897 297.6485 -161616.2482 -109463.6112 297.8591 -4.7123 15.0281 762504.3661 13.1912 13.2567 PRESSURE: 2613400 -319.456 69.681 158.323 69.6805 -259.013 -53.6848 158.323 -53.6846 -598.556 GPRESSURE: 2613400 -312.655 12.9984 170.337 99.9017 -212.563 -57.7577 267.04 78.3811 -574.874 PRESSAVG: 2613400 12.8801 59.1117 6.98138 59.1117 1.51526 -7.59518 6.98129 -7.59514 -23.9291 GPRESSAVG: 2613400 12.3783 55.7821 8.01296 60.0056 2.80256 -7.42294 6.48426 -7.65483 -24.3059 TIMING: 2613400 CPU: 8255.27, 0.0031452/step Wall: 8255.27, 0.0031452/step, 2.08509 hours remaining, 234.691406 MB of memory in use. ENERGY: 2613400 3962.4120 20558.4088 14464.8155 237.8365 -203360.7222 2484.7879 0.0000 0.0000 51918.1146 -109734.3469 298.3741 -161652.4615 -109379.5587 297.9405 -392.3416 -366.6973 763543.9469 -3.1779 -3.0417 PRESSURE: 2613600 6.75906 -139.87 358.496 -139.87 -86.9869 -2.67389 358.495 -2.67387 113.389 GPRESSURE: 2613600 -6.0874 -30.2396 315.605 -170.289 -26.711 -62.0803 352.605 32.4909 157.106 PRESSAVG: 2613600 -13.8133 -16.1781 7.66945 -16.1782 16.3449 -1.80343 7.6695 -1.80346 -7.2357 GPRESSAVG: 2613600 -13.702 -12.2779 6.93326 -17.3101 15.9774 -2.65474 9.04954 1.481 -6.77935 TIMING: 2613600 CPU: 8255.9, 0.0031376/step Wall: 8255.9, 0.0031376/step, 2.07988 hours remaining, 234.691406 MB of memory in use. ENERGY: 2613600 4092.2741 20638.9502 14446.4601 248.1200 -203932.1388 2941.6204 0.0000 0.0000 51925.6393 -109639.0747 298.4174 -161564.7140 -109277.9435 298.5932 11.0538 41.4359 761765.0649 -1.5680 -1.5013 PRESSURE: 2613800 608.61 92.6026 -152.465 92.6025 181.861 -28.8384 -152.465 -28.8383 112.645 GPRESSURE: 2613800 525.948 -5.80791 -179.242 71.3492 265.443 -92.9264 -65.5166 -56.9019 178.279 PRESSAVG: 2613800 6.05295 53.8164 -36.5295 53.8164 39.0362 -2.77826 -36.5294 -2.7782 48.8611 GPRESSAVG: 2613800 5.68298 51.945 -36.4028 55.4007 39.5267 -2.44764 -35.3602 -5.68929 48.9359 TIMING: 2613800 CPU: 8256.53, 0.00315857/step Wall: 8256.53, 0.00315857/step, 2.09361 hours remaining, 234.691406 MB of memory in use. ENERGY: 2613800 3998.1494 20518.3540 14468.1393 246.6273 -203314.5158 2719.1936 0.0000 0.0000 52099.1845 -109264.8677 299.4147 -161364.0522 -108906.0593 298.5976 301.0384 323.2235 761051.6281 31.3167 31.3819 PRESSURE: 2614000 -510.398 -148.385 -114.576 -148.385 70.7467 -45.5216 -114.575 -45.5221 -273.844 GPRESSURE: 2614000 -329.01 -152.013 -26.6752 -178.714 51.8616 -97.8065 -128.176 -6.97298 -344.642 PRESSAVG: 2614000 19.2589 -30.7604 -12.267 -30.7604 -11.0306 41.6134 -12.267 41.6134 0.0227208 GPRESSAVG: 2614000 20.9329 -29.8772 -10.8943 -32.007 -13.2608 42.2326 -16.8779 41.9326 -0.209525 TIMING: 2614000 CPU: 8257.15, 0.00313102/step Wall: 8257.15, 0.00313103/step, 2.07517 hours remaining, 234.691406 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: 2614000 4002.4363 20438.9110 14420.4900 241.2596 -203209.7063 2686.1995 0.0000 0.0000 52196.3572 -109224.0526 299.9732 -161420.4098 -108848.8744 299.1919 -237.8319 -207.2635 763441.8390 2.7503 2.4875 PRESSURE: 2614200 429.523 -123.858 -6.26276 -123.857 -97.7775 238.075 -6.26269 238.075 24.2357 GPRESSURE: 2614200 379.874 -60.623 -41.2875 -35.2323 65.9071 150 -79.583 158.154 -9.95132 PRESSAVG: 2614200 -34.565 1.4635 -23.1626 1.46352 34.6241 39.3851 -23.1627 39.3851 -19.8345 GPRESSAVG: 2614200 -35.1555 1.06414 -23.7342 2.64984 34.3346 39.4888 -22.6593 37.443 -19.2948 TIMING: 2614200 CPU: 8257.79, 0.00315865/step Wall: 8257.79, 0.00315865/step, 2.0933 hours remaining, 234.691406 MB of memory in use. ENERGY: 2614200 3979.9128 20466.0117 14563.6875 231.5980 -203362.9332 2912.9531 0.0000 0.0000 51842.8544 -109365.9156 297.9416 -161208.7701 -109004.2856 299.2914 118.6606 145.2766 763181.8264 -6.5918 -6.7052 PRESSURE: 2614400 3.81521 -48.2288 112.762 -48.2278 341.485 6.79717 112.762 6.79659 129.127 GPRESSURE: 2614400 106.388 -116.231 181.21 -102.831 297.211 -34.6415 24.2167 106.693 169.885 PRESSAVG: 2614400 8.75402 54.8153 -20.7847 54.8153 4.59153 38.4998 -20.7847 38.4998 21.757 GPRESSAVG: 2614400 8.54717 54.1317 -19.8561 54.4037 5.60465 38.3101 -20.7104 40.5026 21.0398 TIMING: 2614400 CPU: 8258.42, 0.00314611/step Wall: 8258.42, 0.00314611/step, 2.08482 hours remaining, 234.691406 MB of memory in use. ENERGY: 2614400 3998.8095 20378.1293 14499.3630 225.5535 -203013.2529 2508.6583 0.0000 0.0000 51955.3869 -109447.3524 298.5883 -161402.7393 -109086.5944 299.2924 158.1424 191.1612 760751.9521 11.7008 11.7305 PRESSURE: 2614600 -327.23 158.096 -3.67012 158.097 -173.489 122.351 -3.66964 122.352 385.172 GPRESSURE: 2614600 -285.89 136.183 112.938 122.77 -105.98 112.74 62.5869 87.0182 364.893 PRESSAVG: 2614600 -77.2413 26.5763 -20.9142 26.5763 32.6065 38.6643 -20.9143 38.6643 9.46557 GPRESSAVG: 2614600 -77.3733 26.6073 -21.7746 24.8858 33.2007 39.7994 -18.7472 37.8361 8.90532 TIMING: 2614600 CPU: 8259.04, 0.00313308/step Wall: 8259.04, 0.00313308/step, 2.07601 hours remaining, 234.691406 MB of memory in use. ENERGY: 2614600 3988.8702 20266.7834 14467.2234 234.9375 -203084.5633 2587.5004 0.0000 0.0000 51963.7999 -109575.4486 298.6367 -161539.2484 -109217.8792 298.5062 -38.5159 -8.9924 761906.4566 -11.7231 -11.7557 PRESSURE: 2614800 -372.13 180.942 105.842 180.942 -367.257 323.216 105.843 323.216 96.9128 GPRESSURE: 2614800 -272.918 153.112 78.1436 156.603 -290.171 289.476 124.549 197.443 -2.88922 PRESSAVG: 2614800 -26.8147 9.54397 9.94971 9.54391 5.83025 59.5994 9.94975 59.5993 -28.0308 GPRESSAVG: 2614800 -26.1474 10.7161 9.83179 10.9503 4.82621 59.8756 7.65606 58.5105 -27.5036 TIMING: 2614800 CPU: 8259.67, 0.00312726/step Wall: 8259.67, 0.00312726/step, 2.07198 hours remaining, 234.691406 MB of memory in use. ENERGY: 2614800 3982.4719 20312.4611 14486.0472 235.1668 -202872.0702 2395.8617 0.0000 0.0000 51928.7316 -109531.3298 298.4351 -161460.0614 -109159.3122 298.6388 -214.1581 -188.6595 761463.0880 -16.3384 -16.2749 PRESSURE: 2615000 11.0991 -46.2996 -289.408 -46.3001 -104.778 -61.2401 -289.409 -61.2409 21.165 GPRESSURE: 2615000 11.7704 -50.5424 -378.673 -85.3827 -27.1851 3.00592 -229.71 -8.75712 8.38771 PRESSAVG: 2615000 -75.4486 -4.20517 14.6794 -4.20523 27.1992 43.8764 14.6794 43.8764 27.309 GPRESSAVG: 2615000 -75.7476 -5.0208 15.4709 -3.56436 27.3901 43.9848 15.3869 45.9888 27.2839 TIMING: 2615000 CPU: 8260.3, 0.00314743/step Wall: 8260.3, 0.00314743/step, 2.08517 hours remaining, 234.691406 MB of memory in use. ENERGY: 2615000 3971.5613 20329.4702 14510.1600 249.8285 -203568.7314 2867.4700 0.0000 0.0000 52253.2744 -109386.9670 300.3003 -161640.2413 -109016.4774 298.4863 -24.1712 -2.3423 760112.2916 -6.9801 -7.0245 PRESSURE: 2615200 -290.722 64.5809 177.679 64.5819 -380.199 -54.3055 177.678 -54.3043 -295.846 GPRESSURE: 2615200 -284.384 31.5166 149.37 72.6293 -366.794 -75.8043 144.022 33.4033 -249.007 PRESSAVG: 2615200 -32.8177 7.80473 38.2821 7.80476 58.2151 31.7974 38.2821 31.7974 9.47087 GPRESSAVG: 2615200 -32.61 9.97957 37.2305 5.62989 57.2231 30.0918 39.8387 31.8828 9.77661 TIMING: 2615200 CPU: 8260.92, 0.00312931/step Wall: 8260.92, 0.00312931/step, 2.07299 hours remaining, 234.691406 MB of memory in use. ENERGY: 2615200 3975.9265 20685.6778 14458.8024 238.9992 -202756.1359 2196.0331 0.0000 0.0000 51850.4244 -109350.2726 297.9851 -161200.6970 -108986.1560 299.3433 -322.2557 -300.0618 761672.1365 11.6228 11.4632 PRESSURE: 2615400 331.531 3.36366 -142.579 3.36435 105.264 154.353 -142.579 154.354 39.1442 GPRESSURE: 2615400 387.342 27.1971 -95.8462 -28.2913 175.359 105.352 -31.9079 168.656 5.09951 PRESSAVG: 2615400 46.8582 -8.11512 45.3307 -8.11513 -57.1116 25.7015 45.3306 25.7016 -1.18914 GPRESSAVG: 2615400 46.9827 -8.16914 46.5109 -9.01378 -56.6038 25.6569 44.1051 24.7934 -1.2165 TIMING: 2615400 CPU: 8261.55, 0.00312071/step Wall: 8261.55, 0.00312071/step, 2.06713 hours remaining, 234.691406 MB of memory in use. ENERGY: 2615400 3997.7876 20539.8693 14416.4045 276.5630 -203195.5210 2723.4428 0.0000 0.0000 51970.2940 -109271.1598 298.6740 -161241.4537 -108915.4186 299.4911 158.6463 189.2669 760549.1459 -3.8142 -3.6125 PRESSURE: 2615600 -84.2143 -100.452 24.2278 -100.453 -114.866 118.645 24.2291 118.644 -410.985 GPRESSURE: 2615600 -158.899 18.2548 45.3611 22.498 -62.1059 106.427 -28.6893 48.8923 -292.918 PRESSAVG: 2615600 -13.2271 -4.09162 3.76912 -4.09165 -39.131 75.2916 3.76914 75.2916 -5.59146 GPRESSAVG: 2615600 -13.8697 -5.5622 2.93699 -1.9714 -38.9514 75.5568 4.74184 75.1859 -5.07476 TIMING: 2615600 CPU: 8262.17, 0.00311236/step Wall: 8262.17, 0.00311236/step, 2.06142 hours remaining, 234.691406 MB of memory in use. ENERGY: 2615600 4066.5395 20599.9512 14411.4392 241.5174 -203114.0053 2415.3476 0.0000 0.0000 51866.8375 -109512.3730 298.0794 -161379.2105 -109163.9696 298.8177 -203.3550 -171.3075 760465.8303 -19.3165 -19.2986 PRESSURE: 2615800 278.236 7.41029 -264.243 7.41054 179.544 0.997781 -264.243 0.99852 30.3401 GPRESSURE: 2615800 283.304 62.9111 -159.875 49.3478 210.377 82.7772 -189.189 22.5099 86.6958 PRESSAVG: 2615800 48.6625 6.08065 37.0822 6.08055 -29.6386 72.7906 37.0821 72.7906 -0.00480228 GPRESSAVG: 2615800 48.179 6.52616 36.4162 6.0214 -28.957 73.105 36.1517 70.9649 -0.47472 TIMING: 2615800 CPU: 8262.79, 0.00309665/step Wall: 8262.79, 0.00309665/step, 2.05084 hours remaining, 234.691406 MB of memory in use. ENERGY: 2615800 3975.1511 20389.0413 14498.3391 251.4711 -203637.0311 2927.8784 0.0000 0.0000 52132.4845 -109462.6655 299.6061 -161595.1500 -109090.0357 299.5605 162.7065 193.4591 759295.2602 6.3397 6.2491 PRESSURE: 2616000 -669.156 -184.632 -247.881 -184.633 -347.35 -84.6289 -247.881 -84.6277 -141.529 GPRESSURE: 2616000 -667.266 -73.49 -245.071 -157.124 -287.941 -66.4182 -191.29 -52.2883 -143.718 PRESSAVG: 2616000 27.1809 12.3566 -38.9879 12.3566 -55.1455 3.20404 -38.9879 3.20404 21.0534 GPRESSAVG: 2616000 28.0828 13.5653 -38.5521 11.6703 -55.3065 3.70638 -39.3648 5.6233 20.2157 TIMING: 2616000 CPU: 8263.41, 0.00311018/step Wall: 8263.41, 0.00311018/step, 2.05963 hours remaining, 234.691406 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: 2616000 3957.2525 20548.8582 14520.4057 258.8343 -203103.0878 2189.5999 0.0000 0.0000 51956.9223 -109671.2149 298.5971 -161628.1371 -109326.0607 298.8852 -386.0115 -366.3082 760194.2096 -2.3037 -2.3360 PRESSURE: 2616200 18.032 -105.968 151.303 -105.969 44.6419 -65.6397 151.303 -65.6392 67.8855 GPRESSURE: 2616200 118.206 94.7982 196.715 -252.911 30.7997 -129.805 154.947 15.3623 67.0403 PRESSAVG: 2616200 -11.4905 33.3896 -9.70778 33.3896 27.6854 -2.62285 -9.70776 -2.62281 -6.61597 GPRESSAVG: 2616200 -10.959 33.2462 -10.0178 33.0784 28.6215 -5.03696 -9.48595 -2.63561 -7.52975 TIMING: 2616200 CPU: 8264.03, 0.00311085/step Wall: 8264.03, 0.00311085/step, 2.0599 hours remaining, 234.691406 MB of memory in use. ENERGY: 2616200 3935.5981 20404.3937 14447.1743 271.8136 -203633.6172 2833.5390 0.0000 0.0000 51931.6711 -109809.4275 298.4520 -161741.0986 -109437.6642 298.7721 43.5198 72.0154 761149.0343 3.1930 3.3776 LDB: ============= START OF LOAD BALANCING ============== 8276.56 LDB: ============== END OF LOAD BALANCING =============== 8276.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8276.56 LDB: ============= START OF LOAD BALANCING ============== 8276.88 LDB: Largest compute 7049 load 0.031465 is 16.1% of average load 0.195588 LDB: Average compute 0.004398 is 2.2% of average load 0.195588 LDB: TIME 8276.88 LOAD: AVG 0.195588 MAX 0.216138 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.438 MB LDB: TIME 8276.88 LOAD: AVG 0.195588 MAX 0.216138 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: TIME 8276.88 LOAD: AVG 0.195588 MAX 0.216138 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.641 MB LDB: ============== END OF LOAD BALANCING =============== 8276.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8276.89 PRESSURE: 2616400 250.632 297.762 171.494 297.762 -225.364 -27.995 171.495 -27.9943 -77.1267 GPRESSURE: 2616400 229.586 262.352 262.801 298.257 -174.046 62.6977 58.7738 68.8168 -28.2924 PRESSAVG: 2616400 -41.6154 -12.3788 -32.9314 -12.3789 55.7691 -16.5563 -32.9315 -16.5563 4.38206 GPRESSAVG: 2616400 -42.7582 -15.0782 -30.7918 -10.8167 55.3016 -15.7423 -32.2377 -16.5121 6.06772 TIMING: 2616400 CPU: 8264.67, 0.00318944/step Wall: 8264.67, 0.00318943/step, 2.11176 hours remaining, 234.933594 MB of memory in use. ENERGY: 2616400 4012.3039 20576.5556 14473.3451 254.3298 -203795.1485 2705.1569 0.0000 0.0000 51886.5552 -109886.9020 298.1927 -161773.4572 -109535.8248 298.0953 -17.2861 9.0824 759509.8309 6.1786 6.2037 PRESSURE: 2616600 316.517 -142.42 -64.0213 -142.421 -100.457 345.76 -64.0217 345.76 13.2776 GPRESSURE: 2616600 367.427 -116.2 -108.159 -158.14 -36.1756 267.06 -14.9904 311.355 -12.049 PRESSAVG: 2616600 63.7019 -37.1782 6.15252 -37.1783 -59.8114 -9.73969 6.1526 -9.73972 19.767 GPRESSAVG: 2616600 64.0146 -36.1233 4.4315 -37.3414 -60.8829 -9.47424 3.77818 -9.43148 20.4812 TIMING: 2616600 CPU: 8265.3, 0.00312554/step Wall: 8265.3, 0.00312554/step, 2.06928 hours remaining, 235.136719 MB of memory in use. ENERGY: 2616600 3973.9624 20511.5290 14463.9240 248.8655 -204081.8713 2924.8406 0.0000 0.0000 52187.1095 -109771.6403 299.9200 -161958.7498 -109405.7594 298.4128 76.4458 106.4008 760274.8400 7.8858 7.8709 PRESSURE: 2616800 72.6208 145.474 -116.389 145.473 -76.3163 -102.815 -116.39 -102.816 -228.78 GPRESSURE: 2616800 5.84513 119.66 -115.693 23.5104 -43.0935 37.9312 -60.7214 -43.5665 -92.7645 PRESSAVG: 2616800 17.4321 16.4976 4.609 16.4976 7.24032 -21.5017 4.60896 -21.5018 -4.37051 GPRESSAVG: 2616800 18.1721 17.1442 4.13327 15.1589 7.74435 -20.1816 5.96368 -23.928 -5.25485 TIMING: 2616800 CPU: 8265.92, 0.00313031/step Wall: 8265.92, 0.00313031/step, 2.07227 hours remaining, 235.136719 MB of memory in use. ENERGY: 2616800 4015.5928 20499.9445 14497.8422 240.5971 -203675.3746 2623.7075 0.0000 0.0000 51931.3926 -109866.2979 298.4504 -161797.6905 -109505.1304 298.4675 -77.4919 -43.3376 760894.7610 6.7673 6.8872 PRESSURE: 2617000 355.296 -29.9875 24.7781 -29.9871 218.599 100.177 24.7779 100.177 255.526 GPRESSURE: 2617000 324.491 -22.2829 90.3897 109.774 230.03 101.481 24.7156 52.8465 329.157 PRESSAVG: 2617000 -7.76894 31.5854 -20.4742 31.5854 -4.58519 5.98046 -20.4742 5.98053 6.42719 GPRESSAVG: 2617000 -8.03968 30.3675 -18.6029 32.5232 -5.13784 5.65774 -19.4955 7.60214 6.82655 TIMING: 2617000 CPU: 8266.55, 0.00312092/step Wall: 8266.55, 0.00312092/step, 2.06587 hours remaining, 235.136719 MB of memory in use. ENERGY: 2617000 3909.4753 20555.4370 14433.1274 237.5078 -203924.6543 2825.0698 0.0000 0.0000 52124.9679 -109839.0692 299.5629 -161964.0371 -109473.7594 298.2865 276.4735 294.5594 758687.3204 -1.9756 -2.1170 PRESSURE: 2617200 183.592 -47.1177 -114.574 -47.1165 -192.273 113.403 -114.574 113.403 162.274 GPRESSURE: 2617200 180.11 -49.4198 -104.243 -68.8908 -114.692 158.51 -161.53 209.572 178.605 PRESSAVG: 2617200 4.95732 27.895 -35.0783 27.8951 22.0244 51.6658 -35.0783 51.6658 7.06525 GPRESSAVG: 2617200 4.56729 28.6003 -36.3477 26.0805 22.9398 50.7452 -38.5611 52.0073 6.63332 TIMING: 2617200 CPU: 8267.17, 0.00313453/step Wall: 8267.17, 0.00313454/step, 2.07471 hours remaining, 235.136719 MB of memory in use. ENERGY: 2617200 4059.1887 20404.6393 14438.8882 229.2939 -203387.7515 2618.1912 0.0000 0.0000 51627.0841 -110010.4661 296.7016 -161637.5502 -109648.0167 297.8391 51.1978 81.3409 760428.3921 11.3490 11.3801 PRESSURE: 2617400 111.248 -41.4803 -61.1312 -41.4804 -292.825 -16.1819 -61.1319 -16.1821 -181.34 GPRESSURE: 2617400 180.428 -123.841 -27.6391 18.8909 -279.318 116.812 16.5184 -60.4546 -173.473 PRESSAVG: 2617400 33.2816 -11.761 -55.2299 -11.761 -55.4492 10.9034 -55.23 10.9032 -21.5711 GPRESSAVG: 2617400 34.0274 -11.5502 -53.9269 -10.234 -56.4252 12.6646 -52.1813 10.2526 -20.9759 TIMING: 2617400 CPU: 8267.8, 0.00312252/step Wall: 8267.8, 0.00312252/step, 2.06659 hours remaining, 235.136719 MB of memory in use. ENERGY: 2617400 3985.3911 20579.5148 14498.6565 271.5289 -203737.6672 2704.2519 0.0000 0.0000 51931.0533 -109767.2708 298.4485 -161698.3240 -109412.8352 297.7445 -120.9725 -90.7879 761388.5966 -14.5796 -14.4579 PRESSURE: 2617600 -71.0383 79.7986 -296.388 79.799 229.326 154.692 -296.387 154.693 -10.6699 GPRESSURE: 2617600 46.1099 -50.5767 -288.098 161.903 273.05 94.1968 -352.557 111.857 -73.7606 PRESSAVG: 2617600 50.1681 -1.25789 -70.5437 -1.25777 -45.2273 14.9786 -70.5437 14.9785 9.96903 GPRESSAVG: 2617600 49.6855 -0.303923 -71.8766 -1.20893 -44.5499 13.4323 -69.7804 14.8681 9.57415 TIMING: 2617600 CPU: 8268.42, 0.00313066/step Wall: 8268.42, 0.00313066/step, 2.0718 hours remaining, 235.136719 MB of memory in use. ENERGY: 2617600 4086.4675 20481.5449 14459.1846 246.0169 -203873.6212 2864.8376 0.0000 0.0000 51879.0549 -109856.5148 298.1496 -161735.5697 -109487.5483 298.1775 49.2060 81.7999 762330.4997 4.9699 4.9032 PRESSURE: 2617800 -15.2111 206.958 -99.9699 206.958 -80.5901 44.4549 -99.9694 44.4553 -270.817 GPRESSURE: 2617800 -22.8029 74.1259 -186.804 242.486 -36.2159 77.2831 -82.1898 -263.113 -221.998 PRESSAVG: 2617800 35.8099 10.6193 36.7748 10.6193 -44.8208 -15.1717 36.7748 -15.1718 1.22297 GPRESSAVG: 2617800 34.6457 8.70911 35.3424 11.5599 -43.8449 -15.2988 36.2229 -15.2586 1.41502 TIMING: 2617800 CPU: 8269.05, 0.00313827/step Wall: 8269.05, 0.00313827/step, 2.07666 hours remaining, 235.136719 MB of memory in use. ENERGY: 2617800 3977.2700 20481.0165 14472.8638 222.3693 -203736.1512 2705.4067 0.0000 0.0000 51907.9021 -109969.3228 298.3154 -161877.2249 -109608.5691 298.4936 -122.2061 -93.6724 762244.0048 -2.5960 -2.5947 PRESSURE: 2618000 78.5712 11.9186 30.9516 11.919 92.6665 -99.9659 30.9516 -99.9653 123.589 GPRESSURE: 2618000 65.2744 -141.896 56.1451 26.8464 136.119 -81.5434 252.186 -186.106 166.931 PRESSAVG: 2618000 47.4614 65.8835 20.3496 65.8836 -51.3498 -8.41044 20.3496 -8.41041 3.29713 GPRESSAVG: 2618000 49.7914 65.4866 21.1861 65.5405 -52.9228 -8.33169 19.6786 -9.30459 2.5275 TIMING: 2618000 CPU: 8269.68, 0.00313644/step Wall: 8269.68, 0.00313644/step, 2.07528 hours remaining, 235.136719 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: 2618000 3982.8922 20491.5332 14506.8239 255.0640 -204033.2642 3020.4101 0.0000 0.0000 52020.5274 -109756.0135 298.9627 -161776.5409 -109386.6990 298.2505 98.2755 122.7749 761768.7719 -0.1971 -0.2013 PRESSURE: 2618200 28.6751 190.796 -126.098 190.795 -750.526 -325.109 -126.098 -325.109 121.216 GPRESSURE: 2618200 86.335 200.894 -78.3858 138.838 -776.907 -231.836 -130.072 -248.113 162.694 PRESSAVG: 2618200 39.4369 57.5183 -11.3324 57.5182 -23.5116 -10.3987 -11.3323 -10.3987 -5.01852 GPRESSAVG: 2618200 39.6491 56.6983 -11.4699 56.1834 -23.6532 -10.0638 -11.1725 -9.34069 -4.69884 TIMING: 2618200 CPU: 8270.31, 0.00313543/step Wall: 8270.31, 0.00313543/step, 2.07443 hours remaining, 235.136719 MB of memory in use. ENERGY: 2618200 3984.1498 20580.1005 14410.8126 257.4473 -203614.1696 2656.8963 0.0000 0.0000 51805.3980 -109919.3652 297.7263 -161724.7632 -109553.7482 298.0605 -200.2118 -175.9594 762842.1721 3.6356 3.7657 PRESSURE: 2618400 20.6803 -12.5476 -139.303 -12.548 -73.6835 309.231 -139.304 309.231 -285.784 GPRESSURE: 2618400 124.946 137.461 -110.144 -20.5802 -69.6674 317.544 -104.53 339.771 -292.48 PRESSAVG: 2618400 58.2699 27.4698 30.3677 27.4698 -32.1447 23.547 30.3677 23.547 -12.5152 GPRESSAVG: 2618400 58.1354 29.6216 30.7861 30.6891 -31.8118 22.3972 28.859 24.063 -12.9787 TIMING: 2618400 CPU: 8270.93, 0.00311646/step Wall: 8270.93, 0.00311646/step, 2.06171 hours remaining, 235.136719 MB of memory in use. ENERGY: 2618400 4053.2948 20451.4523 14421.1213 247.7588 -203374.0759 2589.5720 0.0000 0.0000 51637.7434 -109973.1334 296.7628 -161610.8768 -109623.1430 297.8508 -112.9292 -79.0672 761606.8631 4.5367 4.4483 PRESSURE: 2618600 -416.497 128.337 -54.883 128.338 -719.717 63.69 -54.8829 63.6906 -518.324 GPRESSURE: 2618600 -421.582 36.417 -18.3298 81.7845 -578.69 34.8251 -4.57256 -14.8173 -577.609 PRESSAVG: 2618600 -40.4324 2.39209 -17.2213 2.39215 49.4194 32.4683 -17.2214 32.4683 31.9868 GPRESSAVG: 2618600 -41.8306 1.99286 -16.9786 -0.256726 49.6402 33.6455 -15.273 31.444 32.9075 TIMING: 2618600 CPU: 8271.56, 0.00313572/step Wall: 8271.56, 0.00313572/step, 2.07428 hours remaining, 235.136719 MB of memory in use. ENERGY: 2618600 4046.4043 20557.6513 14419.4632 260.4858 -203130.1473 2514.7004 0.0000 0.0000 51691.8096 -109639.6328 297.0735 -161331.4423 -109288.3380 298.0323 -551.5128 -525.9603 761803.8748 13.6579 13.5724 PRESSURE: 2618800 -122.637 3.40862 244.604 3.40853 99.3783 166.942 244.604 166.942 -188.534 GPRESSURE: 2618800 -80.4867 27.861 202.541 -15.1579 113.795 171.357 168.873 120.607 -160.278 PRESSAVG: 2618800 -23.36 -35.4136 -13.4086 -35.4136 26.2168 42.5593 -13.4086 42.5593 4.51676 GPRESSAVG: 2618800 -21.4066 -38.4384 -12.404 -34.4279 24.6846 43.401 -13.2634 42.1543 4.14623 TIMING: 2618800 CPU: 8272.18, 0.0031293/step Wall: 8272.18, 0.0031293/step, 2.06986 hours remaining, 235.136719 MB of memory in use. ENERGY: 2618800 4008.2294 20451.0580 14453.9094 253.6613 -203155.2832 2676.1573 0.0000 0.0000 51981.8653 -109330.4024 298.7405 -161312.2678 -108965.7943 298.8712 -70.5976 -42.3231 760827.6311 2.4578 2.4747 PRESSURE: 2619000 -158.259 -57.8131 -102.506 -57.8133 -200.611 25.6481 -102.506 25.6479 -168.632 GPRESSURE: 2619000 -34.0843 22.478 -86.8998 -25.0059 -208.47 -15.8713 25.9676 -89.7083 -216.132 PRESSAVG: 2619000 6.70919 -62.2199 50.864 -62.2199 -51.3347 54.4709 50.864 54.4709 -20.6453 GPRESSAVG: 2619000 5.37514 -57.8803 48.5018 -62.6673 -50.1544 53.7642 51.063 54.1379 -20.4553 TIMING: 2619000 CPU: 8272.81, 0.00313215/step Wall: 8272.81, 0.00313215/step, 2.07157 hours remaining, 235.136719 MB of memory in use. ENERGY: 2619000 3967.3893 20548.4687 14449.4419 227.7315 -203167.2285 2515.5139 0.0000 0.0000 52138.2542 -109320.4292 299.6393 -161458.6833 -108959.4891 298.6017 -175.8339 -152.8953 761346.3506 -21.7569 -21.7449 PRESSURE: 2619200 71.1088 126.305 -72.3514 126.305 -214.559 56.6285 -72.3518 56.629 174.464 GPRESSURE: 2619200 111.2 86.9236 -14.9881 150.418 -247.365 91.7284 -83.01 109.228 247.335 PRESSAVG: 2619200 10.4344 14.6216 -12.1872 14.6216 7.94915 -9.51884 -12.1872 -9.51879 -6.24535 GPRESSAVG: 2619200 11.7305 12.919 -11.1081 13.4752 6.47642 -8.47776 -13.9184 -10.1648 -6.55485 TIMING: 2619200 CPU: 8273.43, 0.00312167/step Wall: 8273.43, 0.00312167/step, 2.06447 hours remaining, 235.136719 MB of memory in use. ENERGY: 2619200 4027.5566 20600.3280 14365.1199 237.3263 -203142.6424 2507.7997 0.0000 0.0000 51964.9675 -109439.5443 298.6434 -161404.5119 -109079.2526 298.9992 10.3380 37.0567 761988.2241 4.0461 3.8840 PRESSURE: 2619400 133.309 48.5808 50.6344 48.58 -174.093 46.1517 50.6343 46.1516 -96.3043 GPRESSURE: 2619400 102.746 123.475 20.879 1.05941 -76.99 4.00091 64.9255 101.668 -92.4772 PRESSAVG: 2619400 -8.87701 5.80184 23.7788 5.80191 -23.6466 44.6509 23.7788 44.6508 4.56629 GPRESSAVG: 2619400 -9.57582 7.48087 24.227 4.48006 -22.1066 42.9951 24.2806 47.5361 4.41704 TIMING: 2619400 CPU: 8274.05, 0.00311108/step Wall: 8274.05, 0.00311108/step, 2.05729 hours remaining, 235.136719 MB of memory in use. ENERGY: 2619400 3917.9439 20499.3855 14457.9208 239.3796 -203668.2681 2912.5672 0.0000 0.0000 52084.2867 -109556.7846 299.3291 -161641.0712 -109189.4047 299.2063 -45.6962 -22.2404 761571.3472 -9.3191 -9.0885 PRESSURE: 2619600 129.184 139.669 -177.809 139.669 -123.003 87.7005 -177.808 87.7007 133.162 GPRESSURE: 2619600 132.732 59.2102 -193.634 297.168 -8.74833 29.2014 -65.4004 86.6128 106.948 PRESSAVG: 2619600 14.8404 -7.87762 -37.5562 -7.87757 19.7316 33.8864 -37.5562 33.8864 -30.5981 GPRESSAVG: 2619600 14.67 -10.6837 -38.8003 -4.19211 20.025 32.7388 -37.4311 32.9606 -30.6008 TIMING: 2619600 CPU: 8274.68, 0.00312191/step Wall: 8274.68, 0.00312191/step, 2.06427 hours remaining, 235.136719 MB of memory in use. ENERGY: 2619600 3969.7414 20494.3093 14441.9036 235.9655 -203240.2619 2659.3383 0.0000 0.0000 51985.8099 -109453.1941 298.7632 -161439.0039 -109106.6547 298.9587 46.4480 76.9773 761692.2832 1.3246 1.3647 PRESSURE: 2619800 294.854 -144.965 -68.9787 -144.965 -264.481 70.8328 -68.9786 70.8327 421.187 GPRESSURE: 2619800 308.914 -71.9482 -13.0863 -201.952 -165.261 92.0196 -175.078 85.0581 393.942 PRESSAVG: 2619800 57.9591 39.2432 -13.1316 39.2433 -31.9831 60.7912 -13.1316 60.7912 5.4831 GPRESSAVG: 2619800 55.9506 41.7561 -12.5557 37.9152 -31.7907 60.6262 -12.123 61.7271 7.03378 TIMING: 2619800 CPU: 8275.3, 0.00312583/step Wall: 8275.3, 0.00312582/step, 2.06669 hours remaining, 235.136719 MB of memory in use. ENERGY: 2619800 3955.7034 20536.2879 14460.3328 250.0357 -203331.2341 2692.2660 0.0000 0.0000 51878.5556 -109558.0527 298.1468 -161436.6083 -109197.7851 299.1032 150.5200 179.1985 761484.6558 10.4864 10.3979 PRESSURE: 2620000 156.103 -72.533 12.0253 -72.5336 317.164 -298.252 12.0252 -298.251 -301.604 GPRESSURE: 2620000 166.95 36.6413 18.6653 -39.5462 263.792 -156.498 101.421 -287.096 -169.66 PRESSAVG: 2620000 53.5092 46.6181 11.5947 46.618 -77.0356 -24.3804 11.5947 -24.3804 17.0452 GPRESSAVG: 2620000 55.7837 45.6069 12.1514 45.931 -77.5831 -20.5662 12.8626 -24.7292 15.5712 TIMING: 2620000 CPU: 8275.93, 0.00312364/step Wall: 8275.93, 0.00312364/step, 2.06507 hours remaining, 235.136719 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: 2620000 3982.1139 20494.2161 14428.0783 245.2648 -203435.2633 2565.4245 0.0000 0.0000 51994.9973 -109725.1684 298.8160 -161720.1657 -109368.7814 298.4092 57.2212 87.0272 762073.7667 -2.1604 -2.0761 PRESSURE: 2620200 86.5717 -67.3472 -98.3969 -67.3467 -127.539 -66.0415 -98.3976 -66.0419 25.3109 GPRESSURE: 2620200 94.8523 -53.2186 -35.9838 76.1171 -72.6822 -25.4483 -63.842 -155.373 51.9553 PRESSAVG: 2620200 -16.3308 -11.0178 12.5244 -11.0178 1.16663 -17.5616 12.5245 -17.5615 20.8619 GPRESSAVG: 2620200 -15.8254 -10.9135 12.0293 -8.71478 1.3309 -18.9592 9.5556 -20.0822 20.867 TIMING: 2620200 CPU: 8276.55, 0.00312398/step Wall: 8276.55, 0.00312398/step, 2.06512 hours remaining, 235.136719 MB of memory in use. ENERGY: 2620200 4005.4672 20441.4001 14515.0638 250.2221 -203777.0365 2623.9653 0.0000 0.0000 52294.7082 -109646.2098 300.5384 -161940.9179 -109276.1916 299.1936 -5.2190 24.7085 761049.0165 1.8992 2.1242 LDB: ============= START OF LOAD BALANCING ============== 8289.09 LDB: ============== END OF LOAD BALANCING =============== 8289.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8289.09 LDB: ============= START OF LOAD BALANCING ============== 8289.4 LDB: Largest compute 7058 load 0.032427 is 16.6% of average load 0.195522 LDB: Average compute 0.004395 is 2.2% of average load 0.195522 LDB: TIME 8289.4 LOAD: AVG 0.195522 MAX 0.214296 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.156 MB LDB: TIME 8289.4 LOAD: AVG 0.195522 MAX 0.214296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 8289.4 LOAD: AVG 0.195522 MAX 0.214296 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 8289.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8289.41 PRESSURE: 2620400 58.9995 13.7092 -81.1691 13.7092 208.834 -100.373 -81.1697 -100.373 140.345 GPRESSURE: 2620400 134.338 -44.0054 -223.018 43.4455 136.342 -99.0382 -106.469 -89.4598 225.155 PRESSAVG: 2620400 54.978 -42.8341 -40.2023 -42.8341 -56.2076 -10.7961 -40.2023 -10.796 -13.8982 GPRESSAVG: 2620400 53.6193 -43.2397 -38.1816 -42.7035 -56.2519 -10.6616 -40.1663 -8.57177 -12.9438 TIMING: 2620400 CPU: 8277.2, 0.00320491/step Wall: 8277.2, 0.00320491/step, 2.11845 hours remaining, 234.671875 MB of memory in use. ENERGY: 2620400 3916.7593 20547.6799 14526.7703 251.3783 -203558.0543 2812.9013 0.0000 0.0000 52008.1031 -109494.4621 298.8913 -161502.5652 -109127.9337 299.5415 136.0596 165.2783 762796.5098 -5.0426 -5.1921 PRESSURE: 2620600 70.0831 132.483 47.1945 132.484 173.014 28.9525 47.1941 28.9511 230.196 GPRESSURE: 2620600 74.5347 183.676 52.8238 83.4148 205.659 161.228 67.2348 -89.2087 266.086 PRESSAVG: 2620600 -11.8197 28.8869 -56.7336 28.8868 -15.884 4.22579 -56.7336 4.22576 1.61828 GPRESSAVG: 2620600 -10.2461 29.4833 -56.6708 25.744 -15.7225 3.08728 -57.6414 3.87216 0.06323 TIMING: 2620600 CPU: 8277.82, 0.00311496/step Wall: 8277.82, 0.00311496/step, 2.05881 hours remaining, 234.875000 MB of memory in use. ENERGY: 2620600 3868.4269 20620.8952 14485.5562 261.4401 -203455.5221 2639.1916 0.0000 0.0000 51884.7485 -109695.2635 298.1824 -161580.0120 -109329.0190 298.5981 157.7645 182.0934 762761.0423 -8.6951 -8.6351 PRESSURE: 2620800 -2.99107 -11.7975 38.2204 -11.798 105.731 -224.505 38.2202 -224.504 180.276 GPRESSURE: 2620800 125.651 77.706 47.8092 4.15069 100.757 -219.954 57.587 -278.61 143.331 PRESSAVG: 2620800 -22.7947 26.971 23.5622 26.9711 30.1884 15.9081 23.5622 15.9082 15.8708 GPRESSAVG: 2620800 -24.5342 26.1501 20.7253 28.7605 29.7157 15.7918 25.6418 14.3175 17.7415 TIMING: 2620800 CPU: 8278.44, 0.0031296/step Wall: 8278.44, 0.0031296/step, 2.06832 hours remaining, 234.929688 MB of memory in use. ENERGY: 2620800 3955.6631 20530.4938 14516.3708 254.4310 -203685.8758 2965.8975 0.0000 0.0000 51784.5951 -109678.4245 297.6068 -161463.0196 -109329.1386 298.2601 94.3388 123.2462 763227.3802 7.7548 7.6410 PRESSURE: 2621000 -159.632 93.2541 -179.443 93.2544 -221.494 -66.1638 -179.443 -66.1627 -134.545 GPRESSURE: 2621000 -138.057 137.873 -113.977 177.584 -139.542 -21.1107 -253.462 -5.58637 -159.448 PRESSAVG: 2621000 -32.7923 8.62448 38.4165 8.62449 22.5568 -12.0899 38.4165 -12.0898 -21.7793 GPRESSAVG: 2621000 -32.6355 11.3257 39.1829 7.12104 21.5452 -11.3577 37.8226 -10.2527 -21.4776 TIMING: 2621000 CPU: 8279.07, 0.0031292/step Wall: 8279.07, 0.0031292/step, 2.06788 hours remaining, 234.929688 MB of memory in use. ENERGY: 2621000 3946.5269 20599.4810 14512.1116 238.8421 -203710.5061 2867.0157 0.0000 0.0000 51949.5971 -109596.9317 298.5550 -161546.5288 -109228.8533 298.6363 -171.8904 -145.6824 763259.6876 -10.6716 -10.8560 PRESSURE: 2621200 152.132 -27.2729 -158.585 -27.274 -311.075 -41.9987 -158.585 -41.9984 180.836 GPRESSURE: 2621200 82.3835 62.9394 -206.232 -41.2402 -269.19 -66.3779 -53.5937 88.1879 275.489 PRESSAVG: 2621200 -83.1271 34.5056 -22.2475 34.5056 96.5341 -10.4803 -22.2474 -10.4803 -13.7421 GPRESSAVG: 2621200 -82.782 32.1001 -20.7503 36.3398 96.5434 -11.2623 -22.7243 -10.4582 -13.8483 TIMING: 2621200 CPU: 8279.7, 0.00317442/step Wall: 8279.7, 0.00317442/step, 2.09758 hours remaining, 235.066406 MB of memory in use. ENERGY: 2621200 3958.5773 20488.4373 14471.8941 255.9706 -203763.3469 2798.3960 0.0000 0.0000 52076.9241 -109713.1476 299.2868 -161790.0716 -109348.6859 298.7137 7.2977 29.5608 763584.6007 -0.1117 -0.0290 PRESSURE: 2621400 63.2694 17.8106 -75.207 17.8109 319.177 156.467 -75.2079 156.466 -183.777 GPRESSURE: 2621400 169.038 -62.9745 -0.838813 -39.7321 291.995 152.338 -150.565 237.769 -193.612 PRESSAVG: 2621400 -39.1042 -27.5248 54.3462 -27.5248 13.6262 25.9959 54.3463 25.9958 -13.7748 GPRESSAVG: 2621400 -39.3757 -26.5219 55.5911 -28.1939 14.2765 26.2665 53.4392 26.1339 -14.3796 TIMING: 2621400 CPU: 8280.33, 0.00314015/step Wall: 8280.33, 0.00314015/step, 2.07477 hours remaining, 235.066406 MB of memory in use. ENERGY: 2621400 4056.5479 20537.5399 14502.8580 256.2553 -204122.8797 3260.9140 0.0000 0.0000 51850.5162 -109658.2484 297.9856 -161508.7646 -109302.0740 298.6225 66.2231 89.1404 762039.8971 -13.0843 -13.1596 PRESSURE: 2621600 -167.297 -58.4609 2.33667 -58.461 25.2793 13.8209 2.33663 13.8222 -331.346 GPRESSURE: 2621600 -190.372 51.0952 -65.3193 -62.8119 72.9143 80.7285 57.1512 22.6129 -271.974 PRESSAVG: 2621600 -23.1698 -53.488 -21.2362 -53.488 -7.15531 -19.3189 -21.2362 -19.3189 -21.0709 GPRESSAVG: 2621600 -23.3439 -53.5867 -22.2418 -53.0475 -6.40231 -19.3075 -20.5221 -19.518 -21.0935 TIMING: 2621600 CPU: 8280.96, 0.00313559/step Wall: 8280.96, 0.00313559/step, 2.07158 hours remaining, 235.066406 MB of memory in use. ENERGY: 2621600 3998.7686 20485.3657 14450.1668 246.4462 -203562.5772 2763.1626 0.0000 0.0000 51950.6786 -109667.9888 298.5613 -161618.6674 -109305.0517 298.7956 -157.7876 -129.8105 761630.9617 -17.1320 -16.9466 PRESSURE: 2621800 -158.605 81.4187 -349.365 81.4181 -126.063 -80.9314 -349.366 -80.931 49.0455 GPRESSURE: 2621800 -240.64 32.5452 -374.328 130.83 -41.5755 -92.7619 -268.618 -153.463 130.632 PRESSAVG: 2621800 -42.4133 16.6758 -1.58633 16.6758 58.4727 -46.2152 -1.58634 -46.2152 -1.85148 GPRESSAVG: 2621800 -42.1149 13.5638 -1.54235 16.9226 57.8939 -46.407 -0.410959 -47.6342 -1.72128 TIMING: 2621800 CPU: 8281.58, 0.00312309/step Wall: 8281.58, 0.00312309/step, 2.06315 hours remaining, 235.066406 MB of memory in use. ENERGY: 2621800 4027.3731 20492.2938 14500.7691 244.6775 -203052.7534 2386.6252 0.0000 0.0000 51890.9163 -109510.0985 298.2178 -161401.0148 -109156.9695 297.9554 -78.5407 -50.5276 760764.7420 4.7360 4.6859 PRESSURE: 2622000 -31.5839 -30.9959 60.2427 -30.9957 240.751 -324.979 60.2426 -324.98 -11.2653 GPRESSURE: 2622000 90.199 -82.7785 96.2127 22.8337 239.034 -326.213 -73.4466 5.62715 -59.0594 PRESSAVG: 2622000 -11.7867 23.8258 -5.59801 23.8258 16.2767 -1.5197 -5.59803 -1.5197 -17.3958 GPRESSAVG: 2622000 -11.9273 22.8917 -5.51993 24.9176 16.4923 -1.39084 -7.04395 -0.414024 -17.3123 TIMING: 2622000 CPU: 8282.21, 0.00312642/step Wall: 8282.21, 0.00312642/step, 2.06517 hours remaining, 235.066406 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: 2622000 3985.0404 20534.2145 14580.8375 229.4292 -203487.7604 2674.2149 0.0000 0.0000 51894.5035 -109589.5203 298.2384 -161484.0238 -109236.7639 298.7021 65.9671 90.0578 759506.9209 -4.3019 -4.2491 PRESSURE: 2622200 180.228 -187.599 67.7225 -187.599 -133.161 246.172 67.723 246.173 88.5802 GPRESSURE: 2622200 89.3492 -67.268 14.9918 -179.94 28.6687 243.139 167.466 162.497 122.01 PRESSAVG: 2622200 4.68945 14.3564 13.6998 14.3563 -69.7614 13.8696 13.6997 13.8696 10.7978 GPRESSAVG: 2622200 5.04755 16.987 12.4905 12.0411 -69.3378 12.9643 15.1973 15.3724 10.8486 TIMING: 2622200 CPU: 8282.83, 0.00312055/step Wall: 8282.83, 0.00312055/step, 2.06112 hours remaining, 235.066406 MB of memory in use. ENERGY: 2622200 3949.7341 20530.9425 14471.6614 274.0376 -203339.7114 2557.9680 0.0000 0.0000 52249.0308 -109306.3369 300.2759 -161555.3678 -108939.4128 299.0404 45.2156 80.0094 761235.3016 -18.0914 -17.8139 PRESSURE: 2622400 167.74 65.6305 52.9713 65.6311 -172.64 -65.0782 52.9717 -65.0778 -539.949 GPRESSURE: 2622400 94.9169 0.978313 7.12549 0.588213 -107.971 -52.5266 50.5107 -8.99134 -463.865 PRESSAVG: 2622400 -6.3304 -11.705 38.5254 -11.705 -5.35335 11.212 38.5254 11.2119 4.34829 GPRESSAVG: 2622400 -6.80357 -12.2743 38.5267 -11.536 -5.29871 11.8453 37.0898 9.78374 4.64981 TIMING: 2622400 CPU: 8283.46, 0.00311644/step Wall: 8283.46, 0.00311644/step, 2.05823 hours remaining, 235.066406 MB of memory in use. ENERGY: 2622400 4048.3198 20533.2347 14512.1279 268.5954 -203344.8268 2660.6882 0.0000 0.0000 52050.4806 -109271.3801 299.1348 -161321.8607 -108922.5054 299.6274 -181.6164 -158.9731 761009.6469 -2.4452 -2.4842 PRESSURE: 2622600 151.156 -6.35914 156.647 -6.35912 453.66 -177.883 156.648 -177.882 329.773 GPRESSURE: 2622600 238.804 79.1002 178.467 -23.8007 432.277 -244.842 88.9371 -18.811 330.386 PRESSAVG: 2622600 -8.92375 -18.2979 15.2047 -18.2979 8.05713 -79.6476 15.2047 -79.6475 -2.97959 GPRESSAVG: 2622600 -9.59609 -18.901 14.8629 -18.5366 8.57422 -79.9132 14.953 -79.286 -3.22578 TIMING: 2622600 CPU: 8284.08, 0.00311453/step Wall: 8284.08, 0.00311453/step, 2.0568 hours remaining, 235.066406 MB of memory in use. ENERGY: 2622600 3963.7670 20452.1149 14496.3831 257.2050 -203692.1008 2828.9201 0.0000 0.0000 52168.8252 -109524.8855 299.8150 -161693.7107 -109160.7546 298.9274 311.5296 333.8225 758599.9949 -1.2821 -1.4159 PRESSURE: 2622800 79.3979 -35.9397 67.159 -35.9404 -369.526 201.455 67.1604 201.455 -186.103 GPRESSURE: 2622800 78.6027 -28.1883 55.3267 -58.0867 -296.698 140.77 103.102 151.703 -179.258 PRESSAVG: 2622800 7.63428 13.6798 5.86415 13.6799 46.7968 4.32374 5.86414 4.32371 13.9328 GPRESSAVG: 2622800 8.1877 14.0419 5.86732 14.1154 47.0234 5.50237 8.22783 2.73572 13.0265 TIMING: 2622800 CPU: 8284.71, 0.00312631/step Wall: 8284.71, 0.00312631/step, 2.0644 hours remaining, 235.066406 MB of memory in use. ENERGY: 2622800 3973.5021 20607.6705 14560.3235 258.4515 -203069.0845 2281.7602 0.0000 0.0000 52022.3072 -109365.0696 298.9729 -161387.3768 -108998.9953 299.1016 -158.7439 -132.4510 761304.4975 22.7880 22.7458 PRESSURE: 2623000 198.452 -158.024 194.019 -158.024 188.196 -230.956 194.019 -230.956 224.087 GPRESSURE: 2623000 149.073 -185.328 224.318 -83.8788 221.679 -154.458 -14.6721 -214.245 328.248 PRESSAVG: 2623000 -19.0733 5.41826 -51.4698 5.4183 4.53355 16.3457 -51.4698 16.3459 4.75458 GPRESSAVG: 2623000 -20.621 4.2487 -51.5214 6.53285 5.44268 14.5346 -54.7264 18.7606 5.47249 TIMING: 2623000 CPU: 8285.34, 0.00315246/step Wall: 8285.34, 0.00315246/step, 2.0815 hours remaining, 235.066406 MB of memory in use. ENERGY: 2623000 3961.8013 20491.4174 14514.0475 251.7915 -203641.5151 2906.9900 0.0000 0.0000 52344.3616 -109171.1059 300.8238 -161515.4675 -108812.4029 299.9299 203.5783 233.0001 760769.3673 -3.2617 -3.2353 PRESSURE: 2623200 146.074 -11.6456 -196.07 -11.6456 582.988 -192.684 -196.069 -192.684 293.132 GPRESSURE: 2623200 230.539 184.572 -128.941 -189.805 518.739 -249.869 -265.767 -178.791 367.132 PRESSAVG: 2623200 -34.7542 -20.6765 -23.947 -20.6766 27.4048 8.28996 -23.947 8.28996 6.49416 GPRESSAVG: 2623200 -32.8507 -18.2583 -23.4089 -21.8802 25.8488 11.3928 -22.8326 6.10271 5.91805 TIMING: 2623200 CPU: 8285.97, 0.00315387/step Wall: 8285.97, 0.00315387/step, 2.08226 hours remaining, 235.066406 MB of memory in use. ENERGY: 2623200 4028.9760 20394.7679 14475.1515 253.1210 -203561.7117 2961.5598 0.0000 0.0000 52128.8723 -109319.2631 299.5853 -161448.1355 -108948.9035 300.0648 340.7313 372.1362 759786.0819 -0.2851 -0.3613 PRESSURE: 2623400 -280.034 95.047 18.7095 95.0467 -37.6864 121.217 18.7105 121.217 -311.564 GPRESSURE: 2623400 -220.848 36.6214 123.405 83.1259 -115.286 16.0571 -2.8837 112.681 -204.69 PRESSAVG: 2623400 -9.65578 13.7383 -73.0733 13.7383 25.2258 -12.1174 -73.0733 -12.1173 -0.446782 GPRESSAVG: 2623400 -10.8032 12.4811 -73.2324 13.3197 25.6568 -13.6374 -71.8495 -11.7488 0.694055 TIMING: 2623400 CPU: 8286.59, 0.00312949/step Wall: 8286.59, 0.00312948/step, 2.06598 hours remaining, 235.066406 MB of memory in use. ENERGY: 2623400 3983.4480 20432.9132 14475.9579 251.2123 -202733.9951 2158.3781 0.0000 0.0000 52101.7847 -109330.3008 299.4297 -161432.0856 -108966.1201 299.5543 -209.7614 -180.2745 761523.0514 5.0411 5.1826 PRESSURE: 2623600 -100.153 -0.573938 -162.092 -0.573967 -199.146 -6.02336 -162.092 -6.02382 39.8122 GPRESSURE: 2623600 -31.4508 -117.087 -206.62 44.3753 -159.426 39.6103 -169.911 83.1517 24.327 PRESSAVG: 2623600 -39.3474 37.2282 -17.1981 37.2282 29.6724 25.0372 -17.1981 25.0372 19.402 GPRESSAVG: 2623600 -37.3951 37.5849 -17.0931 38.2448 28.1707 25.0949 -18.8188 24.5906 19.1779 TIMING: 2623600 CPU: 8287.22, 0.00314344/step Wall: 8287.22, 0.00314344/step, 2.07502 hours remaining, 235.066406 MB of memory in use. ENERGY: 2623600 4042.6384 20456.1029 14493.0948 250.1144 -203261.7148 2453.4263 0.0000 0.0000 51997.1218 -109569.2162 298.8282 -161566.3380 -109210.0758 299.2698 -86.4956 -55.5166 762302.9550 3.2423 3.3178 PRESSURE: 2623800 174.622 -63.9554 -34.1656 -63.9539 -171.332 205.177 -34.1657 205.176 394.972 GPRESSURE: 2623800 155.453 20.6208 -47.8715 24.4693 -58.4023 198.188 -51.9488 131.484 366.052 PRESSAVG: 2623800 -23.2409 -10.4302 -38.8525 -10.4302 14.7496 63.8642 -38.8525 63.8642 7.06481 GPRESSAVG: 2623800 -23.7983 -9.70201 -38.4215 -10.6646 15.5795 63.9846 -39.0191 64.5861 6.88205 TIMING: 2623800 CPU: 8287.85, 0.00314517/step Wall: 8287.85, 0.00314517/step, 2.07598 hours remaining, 235.054688 MB of memory in use. ENERGY: 2623800 4017.1267 20733.5859 14471.2258 247.8567 -203597.3541 2664.3106 0.0000 0.0000 51967.4913 -109495.7570 298.6579 -161463.2483 -109132.4313 298.4629 132.7538 154.3676 761269.5278 -0.4755 -0.4456 PRESSURE: 2624000 -101.506 -149.528 44.4109 -149.528 -277.181 34.7123 44.4112 34.7114 -163.672 GPRESSURE: 2624000 -57.5037 -194.495 52.1191 -78.446 -253.479 -10.7745 39.3709 46.0286 -161.792 PRESSAVG: 2624000 68.1629 -18.162 -64.3069 -18.162 -49.8232 5.38929 -64.3069 5.38941 5.07351 GPRESSAVG: 2624000 67.5084 -19.7703 -62.0131 -16.2731 -49.2964 5.87956 -65.2958 5.41587 5.13142 TIMING: 2624000 CPU: 8288.48, 0.00314026/step Wall: 8288.48, 0.00314026/step, 2.07257 hours remaining, 235.054688 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: 2624000 4038.5774 20592.0022 14434.3241 242.9038 -203278.7460 2547.2722 0.0000 0.0000 52081.2984 -109342.3679 299.3119 -161423.6663 -108985.7257 299.3702 -180.7862 -157.5913 762050.4526 7.8044 7.7811 PRESSURE: 2624200 -369.401 80.6861 69.2936 80.6864 -131.808 83.3323 69.2925 83.3316 24.9665 GPRESSURE: 2624200 -343.491 71.4437 71.0231 102.23 -123.112 120.524 12.8981 -10.7889 75.412 PRESSAVG: 2624200 -23.6967 2.84495 -15.8782 2.84498 27.0614 54.4416 -15.8783 54.4416 4.18442 GPRESSAVG: 2624200 -24.9739 2.66694 -18.6892 0.555855 27.2577 53.6282 -13.2102 54.5776 5.48659 TIMING: 2624200 CPU: 8289.1, 0.0031305/step Wall: 8289.1, 0.0031305/step, 2.06595 hours remaining, 235.054688 MB of memory in use. ENERGY: 2624200 4000.6893 20454.3684 14445.6051 266.7988 -202863.8793 2491.5055 0.0000 0.0000 52023.3834 -109181.5289 298.9791 -161204.9123 -108822.3851 299.4183 -158.7475 -130.3968 763762.0437 2.5164 2.5901 LDB: ============= START OF LOAD BALANCING ============== 8301.64 LDB: ============== END OF LOAD BALANCING =============== 8301.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8301.64 LDB: ============= START OF LOAD BALANCING ============== 8301.95 LDB: Largest compute 7077 load 0.032569 is 16.7% of average load 0.195558 LDB: Average compute 0.004394 is 2.2% of average load 0.195558 LDB: TIME 8301.96 LOAD: AVG 0.195558 MAX 0.21525 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.375 MB LDB: TIME 8301.96 LOAD: AVG 0.195558 MAX 0.21525 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: TIME 8301.96 LOAD: AVG 0.195558 MAX 0.21525 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.375 MB LDB: ============== END OF LOAD BALANCING =============== 8301.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8301.96 PRESSURE: 2624400 -15.567 122.757 -235.503 122.757 -298.462 43.8003 -235.503 43.801 -1.78565 GPRESSURE: 2624400 97.4287 76.9345 -175.881 166.509 -283.873 67.6116 -150.969 56.6441 -55.1167 PRESSAVG: 2624400 12.0313 14.5178 -9.56555 14.5177 -11.0688 15.3161 -9.56557 15.3162 -2.58115 GPRESSAVG: 2624400 13.6833 13.7037 -8.9 15.6073 -12.7626 15.9452 -9.53649 15.6746 -2.37765 TIMING: 2624400 CPU: 8289.75, 0.00321022/step Wall: 8289.75, 0.00321022/step, 2.11839 hours remaining, 236.402344 MB of memory in use. ENERGY: 2624400 4029.5107 20582.1139 14447.3586 244.6273 -202669.5497 2339.3015 0.0000 0.0000 51962.5448 -109064.0928 298.6295 -161026.6376 -108701.2641 299.8946 -105.2715 -80.5205 761998.0274 -0.5395 -0.4857 PRESSURE: 2624600 300.934 -11.6501 99.0517 -11.6496 171.738 -20.1769 99.0519 -20.1774 304.861 GPRESSURE: 2624600 270.808 116.742 106.21 34.033 262.475 104.016 116.522 -25.2305 329.434 PRESSAVG: 2624600 -48.3624 -7.66166 -12.2936 -7.66169 42.6049 24.4685 -12.2936 24.4686 -21.4116 GPRESSAVG: 2624600 -48.5879 -6.23713 -13.4762 -6.79993 44.3454 23.5151 -12.6314 24.9622 -23.1238 TIMING: 2624600 CPU: 8290.37, 0.00312864/step Wall: 8290.37, 0.00312864/step, 2.06438 hours remaining, 236.617188 MB of memory in use. ENERGY: 2624600 3958.4940 20515.6863 14433.2107 245.9106 -202920.6868 2550.8882 0.0000 0.0000 52242.6332 -108973.8638 300.2391 -161216.4970 -108618.3657 300.1985 259.1777 287.5722 760787.9999 -9.0564 -9.1221 PRESSURE: 2624800 49.6689 243.764 -127.102 243.763 -287.577 -68.8706 -127.102 -68.871 29.9723 GPRESSURE: 2624800 65.5676 170.522 -175.594 127.496 -179.295 -26.9833 4.93857 -130.492 -7.00518 PRESSAVG: 2624800 -27.0251 13.8943 -20.3646 13.8943 32.7249 2.13685 -20.3646 2.13687 -12.9935 GPRESSAVG: 2624800 -27.0096 13.9379 -19.5737 10.6622 32.0518 1.91257 -18.0085 2.18541 -12.5671 TIMING: 2624800 CPU: 8291, 0.00313052/step Wall: 8291, 0.00313052/step, 2.06545 hours remaining, 236.683594 MB of memory in use. ENERGY: 2624800 4013.9926 20308.1047 14444.9413 227.2760 -202938.5968 2553.3214 0.0000 0.0000 52443.7887 -108947.1721 301.3952 -161390.9608 -108583.4555 300.0043 -69.3119 -40.2441 761023.7063 -2.4312 -2.5083 PRESSURE: 2625000 209.617 -24.7406 27.3751 -24.7399 -58.8992 3.40347 27.3759 3.40363 123.666 GPRESSURE: 2625000 166.727 -22.4342 136.6 -108.774 35.0053 35.0072 -4.66527 -57.8895 112.989 PRESSAVG: 2625000 -40.1109 41.7232 -58.9332 41.7231 31.5669 1.57545 -58.9332 1.57545 6.72721 GPRESSAVG: 2625000 -40.6494 43.8147 -61.0013 41.1107 32.3663 3.58405 -61.2972 0.0478209 6.23132 TIMING: 2625000 CPU: 8291.62, 0.00312197/step Wall: 8291.62, 0.00312197/step, 2.05963 hours remaining, 236.683594 MB of memory in use. ENERGY: 2625000 3976.8683 20515.7509 14492.9208 241.3984 -202978.5192 2792.3303 0.0000 0.0000 52030.3522 -108928.8982 299.0191 -160959.2504 -108568.2420 299.7677 91.4612 104.9073 759968.4782 -0.6056 -0.6839 PRESSURE: 2625200 -222.54 -214.539 -108.22 -214.54 -177.089 205.246 -108.22 205.246 -18.8131 GPRESSURE: 2625200 -267.774 -133.327 -103.801 -225.314 -195.112 217.094 -12.5847 221.078 125.468 PRESSAVG: 2625200 47.3835 -14.9093 13.5261 -14.9093 -23.5571 50.9866 13.5262 50.9866 12.325 GPRESSAVG: 2625200 46.4455 -17.9843 16.1041 -12.4881 -24.4112 51.3732 13.2326 51.51 13.7511 TIMING: 2625200 CPU: 8292.24, 0.00310897/step Wall: 8292.24, 0.00310897/step, 2.05088 hours remaining, 236.683594 MB of memory in use. ENERGY: 2625200 3976.8605 20494.1251 14420.1537 235.2984 -203058.8100 2500.8471 0.0000 0.0000 52157.9797 -109273.5455 299.7526 -161431.5252 -108915.8856 299.5036 -139.4807 -112.4731 762014.7249 12.0505 11.9285 PRESSURE: 2625400 250.238 119.514 173.876 119.515 340.686 -44.705 173.875 -44.7047 -91.5887 GPRESSURE: 2625400 201.407 153.774 137.977 144.167 415.531 -129.113 129.671 5.23252 -63.2026 PRESSAVG: 2625400 -23.3721 11.7921 -5.94208 11.7922 39.0483 -23.1363 -5.94209 -23.1363 -21.8943 GPRESSAVG: 2625400 -23.3713 11.5969 -7.42202 12.7676 39.7264 -23.8707 -5.71194 -23.6139 -22.743 TIMING: 2625400 CPU: 8292.87, 0.00310913/step Wall: 8292.87, 0.00310913/step, 2.05082 hours remaining, 236.683594 MB of memory in use. ENERGY: 2625400 4003.3695 20409.8140 14378.6367 252.9922 -203280.5695 2650.3756 0.0000 0.0000 52147.1799 -109438.2016 299.6906 -161585.3814 -109079.0353 298.9908 166.4452 184.5784 758639.6026 -2.0727 -2.1293 PRESSURE: 2625600 -97.7084 -180.135 179.32 -180.135 -24.2852 256.606 179.321 256.606 14.4254 GPRESSURE: 2625600 -33.3248 -132.965 192.823 -118.646 -35.6328 171.342 173.333 214.484 54.8344 PRESSAVG: 2625600 -60.2346 34.3638 -34.7161 34.3639 41.228 52.405 -34.7161 52.4051 -11.739 GPRESSAVG: 2625600 -59.1031 34.2708 -33.8834 33.0586 39.7766 51.9808 -34.6126 53.1503 -11.5112 TIMING: 2625600 CPU: 8293.49, 0.00312587/step Wall: 8293.49, 0.00312587/step, 2.06169 hours remaining, 236.683594 MB of memory in use. ENERGY: 2625600 4025.1811 20458.6632 14483.0441 231.5066 -203141.7127 2481.3912 0.0000 0.0000 52028.4111 -109433.5154 299.0080 -161461.9265 -109078.0687 299.2180 -35.8561 -4.7077 759085.2331 -10.2485 -10.2792 PRESSURE: 2625800 -35.157 -75.4624 -4.41283 -75.4611 -202.062 187.648 -4.41276 187.648 478.698 GPRESSURE: 2625800 -18.7752 -105.53 -26.183 -81.3021 -93.5735 125.119 -2.91565 7.59346 447.086 PRESSAVG: 2625800 -8.01004 54.9448 13.9119 54.9448 -14.447 18.4626 13.9118 18.4626 -3.20156 GPRESSAVG: 2625800 -8.49774 56.3662 14.9753 55.0979 -13.1081 18.634 14.5176 19.5498 -4.68127 TIMING: 2625800 CPU: 8294.12, 0.00313143/step Wall: 8294.12, 0.00313143/step, 2.06518 hours remaining, 236.683594 MB of memory in use. ENERGY: 2625800 3893.0258 20521.1192 14383.9610 242.3957 -203272.4172 2652.6824 0.0000 0.0000 52115.1850 -109464.0481 299.5067 -161579.2331 -109095.2079 299.0966 80.4929 111.5792 760374.5643 -8.5529 -8.7624 PRESSURE: 2626000 -184.134 -129.632 122.892 -129.633 -257.49 56.7725 122.892 56.7728 -118.838 GPRESSURE: 2626000 -122.339 -73.4039 215.131 -124.675 -235.309 119.327 113.869 91.8145 -98.8483 PRESSAVG: 2626000 23.0061 -26.354 -51.3854 -26.354 5.31373 42.6413 -51.3854 42.6414 -1.3219 GPRESSAVG: 2626000 23.9515 -25.0666 -51.8639 -27.6236 3.56767 41.7535 -50.9996 40.8333 -0.412039 TIMING: 2626000 CPU: 8294.74, 0.00311356/step Wall: 8294.74, 0.00311356/step, 2.05322 hours remaining, 236.683594 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: 2626000 3988.9583 20600.5210 14435.9541 264.9726 -203016.0993 2207.5219 0.0000 0.0000 52035.0426 -109483.1289 299.0461 -161518.1715 -109126.5940 298.9885 -186.8207 -152.1652 761039.5132 8.9993 9.0357 PRESSURE: 2626200 226.444 15.9936 368.591 15.9935 49.7069 -282.573 368.591 -282.574 7.19947 GPRESSURE: 2626200 205.19 9.40513 278.947 5.33298 139.802 -278.165 409.304 -226.976 12.7614 PRESSAVG: 2626200 65.4079 -1.34518 22.9209 -1.34509 -7.09499 -23.9515 22.9209 -23.9515 8.10338 GPRESSAVG: 2626200 64.4578 -2.63562 21.9367 -0.384445 -5.99611 -24.2452 22.4395 -20.3691 7.66247 TIMING: 2626200 CPU: 8295.37, 0.0031335/step Wall: 8295.37, 0.0031335/step, 2.06619 hours remaining, 236.683594 MB of memory in use. ENERGY: 2626200 3953.6807 20556.5999 14444.6151 265.6535 -203355.7979 2636.7612 0.0000 0.0000 52121.5853 -109376.9022 299.5435 -161498.4875 -109008.2406 299.4524 94.4501 119.2512 760155.9127 22.1388 22.0414 PRESSURE: 2626400 27.798 8.8447 86.0304 8.84457 -575.304 -82.2131 86.0294 -82.2126 354.928 GPRESSURE: 2626400 72.0599 54.9886 26.6406 83.4626 -496.467 -3.55772 49.9396 -103.866 308.955 PRESSAVG: 2626400 60.942 -40.3684 43.5785 -40.3684 -62.798 48.4172 43.5786 48.4171 8.21126 GPRESSAVG: 2626400 60.967 -40.4064 43.8535 -40.5201 -63.3147 48.0197 44.3604 47.5563 8.66622 TIMING: 2626400 CPU: 8295.99, 0.00313274/step Wall: 8295.99, 0.00313274/step, 2.06552 hours remaining, 236.683594 MB of memory in use. ENERGY: 2626400 3980.2753 20493.6819 14426.3980 245.9654 -202844.6823 2265.1085 0.0000 0.0000 51919.3623 -109513.8909 298.3813 -161433.2533 -109141.0860 299.2711 -64.1927 -38.4843 760665.9844 2.1184 2.1062 PRESSURE: 2626600 168.844 -36.9308 -18.731 -36.9308 12.8775 202.905 -18.7301 202.904 -187.153 GPRESSURE: 2626600 237.776 10.9801 90.1641 -92.7114 18.4235 176.625 3.76914 258.595 -166.648 PRESSAVG: 2626600 53.7454 -26.8068 39.1751 -26.8067 -66.3874 69.4009 39.1751 69.401 -22.1343 GPRESSAVG: 2626600 53.4293 -29.0302 37.267 -25.4299 -66.8567 71.5497 41.227 67.0062 -21.4707 TIMING: 2626600 CPU: 8296.62, 0.00311631/step Wall: 8296.62, 0.00311631/step, 2.05452 hours remaining, 236.683594 MB of memory in use. ENERGY: 2626600 4043.1962 20515.7468 14417.0483 255.8689 -203112.3340 2484.9803 0.0000 0.0000 51927.2762 -109468.2175 298.4268 -161395.4937 -109118.0340 298.5933 -1.8105 29.8505 761003.5940 -11.5921 -11.6327 PRESSURE: 2626800 -160.943 22.2771 -152.125 22.2782 -101.234 72.8889 -152.126 72.8877 -283.882 GPRESSURE: 2626800 -197.838 109.079 -207.606 132.095 -95.8552 -1.58884 -217.407 72.5557 -160.624 PRESSAVG: 2626800 -3.36405 39.7265 -30.9439 39.7264 12.4964 31.777 -30.9439 31.777 8.0222 GPRESSAVG: 2626800 -3.25273 40.6776 -29.8897 39.3162 12.3002 31.1442 -33.278 33.5959 7.77968 TIMING: 2626800 CPU: 8297.25, 0.00316/step Wall: 8297.25, 0.00316/step, 2.08314 hours remaining, 236.683594 MB of memory in use. ENERGY: 2626800 3948.4883 20608.5505 14442.0872 240.3479 -203150.6983 2450.4152 0.0000 0.0000 51811.1926 -109649.6166 297.7596 -161460.8091 -109294.4150 298.5050 -182.0196 -151.4393 761249.5507 5.7182 5.6091 PRESSURE: 2627000 -236.162 -155.58 7.77372 -155.579 -432.805 -21.0598 7.7745 -21.0604 -103.037 GPRESSURE: 2627000 -286.165 -149.781 29.4087 -186.255 -307.215 -89.7613 -52.3552 -124.808 -92.5547 PRESSAVG: 2627000 13.0384 -42.7716 -2.93641 -42.7716 -10.1935 2.9826 -2.93641 2.98252 -11.5164 GPRESSAVG: 2627000 13.902 -41.1705 -1.94686 -43.1081 -11.2597 3.42046 -1.54718 1.87453 -11.7541 TIMING: 2627000 CPU: 8297.88, 0.00314093/step Wall: 8297.88, 0.00314093/step, 2.07039 hours remaining, 236.683594 MB of memory in use. ENERGY: 2627000 4033.7779 20317.2175 14442.8078 238.1553 -203050.3020 2353.8140 0.0000 0.0000 52098.3036 -109566.2259 299.4097 -161664.5295 -109206.7946 298.7294 -257.3349 -228.6448 761740.7960 -2.8905 -3.0373 PRESSURE: 2627200 -69.8015 -191.248 -182.93 -191.247 -531.318 1.97972 -182.931 1.9814 -190.115 GPRESSURE: 2627200 -133.678 -132.744 -174.684 -95.7584 -387.716 -7.77601 -130.689 15.3284 -193.499 PRESSAVG: 2627200 13.8155 -38.7239 15.6063 -38.7238 -39.2195 -27.8691 15.6063 -27.8691 -0.752395 GPRESSAVG: 2627200 12.5048 -37.7219 16.9865 -37.8919 -37.0893 -29.4024 14.3059 -25.2729 -1.27636 TIMING: 2627200 CPU: 8298.5, 0.00312654/step Wall: 8298.5, 0.00312654/step, 2.06074 hours remaining, 236.683594 MB of memory in use. ENERGY: 2627200 4013.0180 20524.0216 14444.8063 242.4447 -202755.5091 2055.7984 0.0000 0.0000 51856.0410 -109619.3791 298.0174 -161475.4201 -109251.0444 299.1215 -263.7448 -238.2979 760888.6985 -8.7188 -8.6203 PRESSURE: 2627400 256.036 -102.697 180.656 -102.697 34.8388 -32.498 180.656 -32.4993 -77.7992 GPRESSURE: 2627400 248.507 -145.168 171.795 -187.24 138.421 22.5589 163.484 -74.0861 -90.8037 PRESSAVG: 2627400 -39.2275 -32.7092 29.5354 -32.7092 3.9622 0.212117 29.5354 0.212097 -3.56995 GPRESSAVG: 2627400 -38.5233 -36.7602 28.2935 -32.3111 2.76922 1.54238 29.6442 0.0484859 -2.85098 TIMING: 2627400 CPU: 8299.13, 0.00312288/step Wall: 8299.13, 0.00312288/step, 2.05815 hours remaining, 236.683594 MB of memory in use. ENERGY: 2627400 4014.0804 20495.9474 14414.4963 263.3720 -203045.5792 2433.5471 0.0000 0.0000 51956.5777 -109467.5582 298.5952 -161424.1359 -109109.5421 298.7025 71.0251 98.7080 762541.3232 -12.9451 -12.8684 PRESSURE: 2627600 -180.122 50.7194 101.929 50.7194 83.8586 127.07 101.929 127.07 85.1329 GPRESSURE: 2627600 -168.307 -2.13703 143.871 173.721 129.05 92.5384 184.69 127.645 114.672 PRESSAVG: 2627600 22.3019 -25.3137 14.146 -25.3137 25.1806 -22.3771 14.146 -22.3772 -9.89606 GPRESSAVG: 2627600 22.0423 -25.6729 13.8901 -24.5568 25.3954 -22.1011 14.7669 -24.3871 -9.83797 TIMING: 2627600 CPU: 8299.75, 0.00310775/step Wall: 8299.75, 0.00310775/step, 2.04801 hours remaining, 236.683594 MB of memory in use. ENERGY: 2627600 3994.6705 20462.5064 14417.7519 257.0493 -203499.9791 2773.9979 0.0000 0.0000 52367.1323 -109226.8708 300.9546 -161594.0032 -108872.1569 299.6778 -3.7101 25.1383 761479.8373 12.5288 12.5332 PRESSURE: 2627800 14.3514 -33.8833 -78.6987 -33.8837 91.7278 148.514 -78.698 148.515 -164.806 GPRESSURE: 2627800 160.854 -179.055 -66.5996 -13.688 41.4898 109.766 -145.33 37.3899 -169.265 PRESSAVG: 2627800 23.6898 -23.6127 23.7807 -23.6127 55.5361 -22.3101 23.7808 -22.3101 4.71467 GPRESSAVG: 2627800 24.0607 -24.2642 24.3379 -25.6 55.3715 -22.1422 23.6894 -22.1465 4.67194 TIMING: 2627800 CPU: 8300.37, 0.00312578/step Wall: 8300.37, 0.00312578/step, 2.05972 hours remaining, 236.683594 MB of memory in use. ENERGY: 2627800 4047.7472 20570.9049 14422.0948 249.6093 -203248.7835 2541.7372 0.0000 0.0000 52301.0052 -109115.6849 300.5746 -161416.6901 -108752.7351 300.4163 -19.5757 11.0263 760362.2621 27.9802 28.0347 PRESSURE: 2628000 -234.856 -129.565 72.5307 -129.566 39.6267 -41.0308 72.5302 -41.0314 84.7694 GPRESSURE: 2628000 -218.573 -87.3162 191.553 -169.346 135.739 14.5583 113.704 -43.6019 40.9589 PRESSAVG: 2628000 -49.0163 -22.873 -2.76225 -22.873 11.7783 -19.069 -2.76227 -19.0689 -14.3717 GPRESSAVG: 2628000 -48.638 -20.6349 -2.21548 -23.6293 11.6305 -19.1573 -4.24809 -17.7801 -14.5281 TIMING: 2628000 CPU: 8301, 0.00311977/step Wall: 8301, 0.00311977/step, 2.05558 hours remaining, 236.683594 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: 2628000 3930.3504 20489.2825 14501.3009 253.4637 -203102.2663 2415.2182 0.0000 0.0000 52322.7476 -109189.9029 300.6995 -161512.6506 -108827.2473 300.1049 -36.8198 -13.9586 760814.6597 -17.2032 -17.1786 PRESSURE: 2628200 -179.785 -60.4448 -86.735 -60.4449 -324.245 -167.209 -86.7361 -167.209 -67.6242 GPRESSURE: 2628200 -134.313 -60.2782 -227.747 -96.5651 -263.63 -182.567 -57.2863 52.3198 -78.5125 PRESSAVG: 2628200 25.1878 -10.7163 56.6559 -10.7163 -37.6921 -9.35221 56.6559 -9.35217 5.29578 GPRESSAVG: 2628200 24.3477 -12.5576 56.2361 -10.2579 -37.2441 -10.5446 56.2834 -7.77965 5.62236 TIMING: 2628200 CPU: 8301.62, 0.00312907/step Wall: 8301.62, 0.00312906/step, 2.06153 hours remaining, 236.683594 MB of memory in use. ENERGY: 2628200 4066.7581 20437.5589 14463.8342 234.6757 -202511.5564 1929.3973 0.0000 0.0000 52144.2591 -109235.0730 299.6738 -161379.3322 -108872.5664 299.6635 -190.5512 -158.8184 760669.2158 -2.4029 -2.4247 LDB: ============= START OF LOAD BALANCING ============== 8314.15 LDB: ============== END OF LOAD BALANCING =============== 8314.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8314.16 LDB: ============= START OF LOAD BALANCING ============== 8314.47 LDB: Largest compute 7077 load 0.033115 is 16.9% of average load 0.195593 LDB: Average compute 0.004387 is 2.2% of average load 0.195593 LDB: TIME 8314.47 LOAD: AVG 0.195593 MAX 0.211546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.574 MB LDB: TIME 8314.47 LOAD: AVG 0.195593 MAX 0.211546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.574 MB LDB: TIME 8314.47 LOAD: AVG 0.195593 MAX 0.211546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.574 MB LDB: ============== END OF LOAD BALANCING =============== 8314.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8314.48 PRESSURE: 2628400 -390.108 -93.5792 -98.3649 -93.5792 261.002 15.6193 -98.3643 15.6183 -22.9786 GPRESSURE: 2628400 -276.366 -79.15 -100.662 -23.2784 174.207 77.488 -62.9278 -35.6247 46.1096 PRESSAVG: 2628400 -23.3714 -49.1709 36.7599 -49.1709 6.03328 4.91919 36.7599 4.91918 47.8669 GPRESSAVG: 2628400 -22.2645 -46.9554 35.326 -51.178 5.52137 4.57757 37.1851 3.58476 47.2294 TIMING: 2628400 CPU: 8302.26, 0.00320238/step Wall: 8302.26, 0.00320237/step, 2.10965 hours remaining, 236.382812 MB of memory in use. ENERGY: 2628400 4006.2387 20438.9926 14461.8302 242.6720 -203128.5737 2474.8481 0.0000 0.0000 52512.8140 -108991.1780 301.7919 -161503.9921 -108626.2292 299.7863 -50.6949 -18.6833 760203.1199 10.1763 10.1621 PRESSURE: 2628600 -241.092 98.5993 -149.246 98.5984 -257.315 194.115 -149.247 194.114 -145.59 GPRESSURE: 2628600 -216.192 80.1591 -115.555 -52.0934 -184.08 188.623 -48.6182 157.893 -176.597 PRESSAVG: 2628600 -36.5995 -42.5213 25.612 -42.5213 3.73382 8.75614 25.6119 8.756 12.4547 GPRESSAVG: 2628600 -36.3788 -45.4471 26.5933 -40.513 3.76113 10.0384 25.8753 7.85924 12.3881 TIMING: 2628600 CPU: 8302.89, 0.00313502/step Wall: 8302.89, 0.00313502/step, 2.06511 hours remaining, 236.859375 MB of memory in use. ENERGY: 2628600 3969.6816 20582.9228 14467.0950 237.7860 -203314.5019 2600.9672 0.0000 0.0000 52497.5002 -108958.5493 301.7039 -161456.0494 -108587.7121 300.3166 -214.6659 -192.2900 761617.7953 -6.8037 -6.7432 PRESSURE: 2628800 -447.158 -94.7239 -134.146 -94.7241 -261.084 41.7154 -134.145 41.7154 -524.088 GPRESSURE: 2628800 -463.962 -207.086 -91.9014 -79.3927 -175.797 131.96 -93.3137 -55.8366 -511.51 PRESSAVG: 2628800 -3.75887 -110.74 -47.4345 -110.74 -25.6311 -13.9339 -47.4345 -13.9339 14.8656 GPRESSAVG: 2628800 -4.24293 -107.715 -47.0376 -111.169 -25.7844 -16.0875 -47.22 -14.1589 15.5792 TIMING: 2628800 CPU: 8303.52, 0.00313702/step Wall: 8303.52, 0.00313702/step, 2.06625 hours remaining, 236.859375 MB of memory in use. ENERGY: 2628800 4072.1645 20581.7062 14461.1678 251.7507 -203118.4669 2267.1142 0.0000 0.0000 52333.0336 -109151.5300 300.7587 -161484.5635 -108783.5438 300.0464 -410.7765 -383.7563 761126.7503 -4.8415 -4.8161 PRESSURE: 2629000 154.337 -115.811 50.4281 -115.81 -17.2626 -61.5078 50.4284 -61.5092 337.743 GPRESSURE: 2629000 95.5661 -89.0884 173.931 -216.986 111.298 -18.9894 -44.7485 -52.556 335.29 PRESSAVG: 2629000 20.1381 -23.7958 -17.6271 -23.7958 0.731542 8.38065 -17.6271 8.38057 19.94 GPRESSAVG: 2629000 18.4854 -24.7967 -17.2255 -21.2879 2.3213 10.8347 -17.3906 9.20856 19.2998 TIMING: 2629000 CPU: 8304.15, 0.00314959/step Wall: 8304.15, 0.00314959/step, 2.07435 hours remaining, 236.859375 MB of memory in use. ENERGY: 2629000 3912.7379 20500.2086 14506.6486 239.4188 -203723.8443 3035.6549 0.0000 0.0000 52315.7322 -109213.4433 300.6592 -161529.1755 -108843.7277 299.5729 158.2725 180.7182 761761.2175 13.6032 13.3688 PRESSURE: 2629200 -66.9039 -168.208 76.8499 -168.208 260.829 -117.687 76.8504 -117.688 125.971 GPRESSURE: 2629200 -65.4201 -169.664 90.85 -205.485 363.524 -43.4612 45.1947 -162.327 106.471 PRESSAVG: 2629200 -28.4888 -11.5743 -6.31649 -11.5743 12.3073 37.4667 -6.31655 37.4668 21.609 GPRESSAVG: 2629200 -28.9132 -11.2618 -9.1506 -13.1905 13.1784 36.0492 -5.03827 38.7812 21.3802 TIMING: 2629200 CPU: 8304.77, 0.00313371/step Wall: 8304.77, 0.00313371/step, 2.06372 hours remaining, 236.859375 MB of memory in use. ENERGY: 2629200 3938.2915 20641.5678 14490.2929 240.3222 -203499.2076 2661.5725 0.0000 0.0000 52142.2964 -109384.8642 299.6625 -161527.1607 -109022.2925 299.6044 106.6321 134.8584 760772.2210 1.8092 1.8818 PRESSURE: 2629400 -8.4725 15.6657 4.69089 15.666 -117.814 134.505 4.69024 134.505 -155.889 GPRESSURE: 2629400 -9.25785 72.5772 -4.75241 -14.9831 -104.371 222.027 -107.915 153.805 -96.6374 PRESSAVG: 2629400 -28.2627 34.9329 8.42584 34.9328 63.1301 28.365 8.4259 28.3649 -11.3221 GPRESSAVG: 2629400 -27.0156 35.0639 9.02192 33.8787 60.2328 29.0559 6.69526 27.9612 -9.49061 TIMING: 2629400 CPU: 8305.4, 0.0031402/step Wall: 8305.4, 0.0031402/step, 2.06782 hours remaining, 236.859375 MB of memory in use. ENERGY: 2629400 3956.3628 20441.5787 14486.2098 237.6576 -203360.0923 2468.8016 0.0000 0.0000 52258.9171 -109510.5648 300.3327 -161769.4819 -109144.3408 299.7213 -94.0585 -70.0888 762284.1230 7.8484 7.9089 PRESSURE: 2629600 -116.505 -24.7112 -173.24 -24.7112 106.441 -320.482 -173.24 -320.481 -606.977 GPRESSURE: 2629600 -63.5137 -32.3221 -109.067 -17.126 30.934 -312.193 -203.04 -232.258 -478.142 PRESSAVG: 2629600 -58.8638 -46.6649 -13.6281 -46.6649 23.5702 -52.1547 -13.6281 -52.1549 4.7812 GPRESSAVG: 2629600 -58.6853 -45.6114 -12.2314 -45.2448 23.3929 -52.557 -15.085 -51.2531 5.52232 TIMING: 2629600 CPU: 8306.03, 0.0031486/step Wall: 8306.03, 0.0031486/step, 2.07318 hours remaining, 236.859375 MB of memory in use. ENERGY: 2629600 3943.2960 20448.1401 14438.9734 241.2474 -203165.6232 2565.7039 0.0000 0.0000 52104.1724 -109424.0899 299.4434 -161528.2623 -109045.0924 299.0619 -205.6804 -170.2406 761427.3283 -10.1708 -9.9234 PRESSURE: 2629800 -245.085 46.7292 -150.971 46.7286 -165.345 9.53146 -150.97 9.53133 251.577 GPRESSURE: 2629800 -199.404 26.9577 -85.3804 135.478 -91.971 152.304 -112.376 -21.514 230.869 PRESSAVG: 2629800 -16.2445 -44.7251 -1.40303 -44.7251 18.9222 19.7053 -1.40296 19.7053 1.39793 GPRESSAVG: 2629800 -15.9822 -45.95 -0.383217 -45.6778 19.2311 19.981 1.44338 19.6209 1.08264 TIMING: 2629800 CPU: 8306.66, 0.00312043/step Wall: 8306.66, 0.00312043/step, 2.05445 hours remaining, 236.859375 MB of memory in use. ENERGY: 2629800 4041.3339 20330.8831 14391.3706 240.8938 -203017.4606 2404.4235 0.0000 0.0000 52271.4537 -109337.1018 300.4048 -161608.5556 -108972.8966 298.9720 -52.9513 -20.1685 763236.5902 1.3585 1.4439 PRESSURE: 2630000 78.7801 -38.9867 124.002 -38.9863 226.237 -24.4769 124.001 -24.4769 136.039 GPRESSURE: 2630000 72.8671 -10.3651 55.2548 -41.5439 304.248 21.9274 159.462 -92.6915 143.269 PRESSAVG: 2630000 22.221 -42.5445 -30.6159 -42.5445 -24.4611 -13.7171 -30.6159 -13.7171 4.77457 GPRESSAVG: 2630000 23.1659 -41.3992 -32.8485 -44.3091 -23.7377 -14.5765 -30.8668 -13.5738 3.02641 TIMING: 2630000 CPU: 8307.28, 0.0031244/step Wall: 8307.28, 0.0031244/step, 2.0569 hours remaining, 236.859375 MB of memory 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 4019.3403 20488.8203 14362.6610 260.0271 -203596.2329 2957.4256 0.0000 0.0000 51915.4109 -109592.5478 298.3586 -161507.9587 -109232.0908 299.1085 147.0188 173.4615 762190.3136 0.8448 0.8182 PRESSURE: 2630200 -119.036 -61.7491 41.6573 -61.7491 57.1543 -100.976 41.6575 -100.976 29.2408 GPRESSURE: 2630200 -102.723 -23.7462 55.3272 30.7225 80.6212 -38.8774 74.44 -155.748 58.0981 PRESSAVG: 2630200 -19.4366 -46.0518 20.8729 -46.0519 15.5934 3.14325 20.8728 3.1433 5.70029 GPRESSAVG: 2630200 -20.0781 -46.6772 22.7164 -43.0878 14.2472 4.2104 20.1826 1.60763 7.43398 TIMING: 2630200 CPU: 8307.91, 0.00312869/step Wall: 8307.91, 0.00312869/step, 2.05955 hours remaining, 236.890625 MB of memory in use. ENERGY: 2630200 3947.8314 20553.0168 14432.9872 241.9615 -203289.9945 2615.1692 0.0000 0.0000 51991.1928 -109507.8356 298.7941 -161499.0284 -109152.8689 298.8516 -10.8803 11.9987 761920.6968 0.6190 0.5344 PRESSURE: 2630400 -224.82 -144.512 -38.6009 -144.511 -349.825 -3.32457 -38.6007 -3.3244 45.0417 GPRESSURE: 2630400 -211.158 -231.87 -20.3596 -187.9 -269.25 -28.773 -177.541 -119.692 13.2429 PRESSAVG: 2630400 -17.8427 -12.1384 -65.1963 -12.1383 -16.9083 18.8014 -65.1964 18.8014 23.6154 GPRESSAVG: 2630400 -18.036 -13.4923 -64.2682 -14.3431 -15.3993 18.9462 -65.0683 18.6445 22.4033 TIMING: 2630400 CPU: 8308.53, 0.00313549/step Wall: 8308.53, 0.00313549/step, 2.06385 hours remaining, 236.890625 MB of memory in use. ENERGY: 2630400 3911.9656 20507.1722 14400.1736 224.4527 -203853.7494 2875.6903 0.0000 0.0000 52047.4670 -109886.8280 299.1175 -161934.2951 -109511.7017 298.4128 -176.5345 -155.7218 761969.1484 -3.7119 -3.6774 PRESSURE: 2630600 134.267 -22.8993 -9.35421 -22.8992 111.847 13.6289 -9.35418 13.6289 119.129 GPRESSURE: 2630600 220.269 -105.703 -26.3216 107.525 83.3676 -9.28606 24.5889 -57.9439 140.654 PRESSAVG: 2630600 20.6324 -12.1469 -21.3149 -12.1468 -27.4945 7.23404 -21.315 7.23404 -21.361 GPRESSAVG: 2630600 20.1593 -11.3572 -21.3666 -11.0344 -28.3102 6.61996 -21.4552 7.40708 -20.2418 TIMING: 2630600 CPU: 8309.16, 0.00313213/step Wall: 8309.16, 0.00313213/step, 2.06147 hours remaining, 236.890625 MB of memory in use. ENERGY: 2630600 3975.8585 20403.1485 14441.1554 244.3510 -204262.3344 3163.2153 0.0000 0.0000 52088.2319 -109946.3739 299.3518 -162034.6057 -109576.0071 297.9385 121.7475 148.0970 761875.7406 -9.4077 -9.4642 PRESSURE: 2630800 -334.177 -158.97 -168.751 -158.971 -308.801 97.688 -168.751 97.6882 78.6266 GPRESSURE: 2630800 -265.52 -221.507 -165.99 -132.348 -273.655 181.14 -89.917 234.627 62.0349 PRESSAVG: 2630800 -7.43507 -43.0987 10.2397 -43.0987 -10.2699 0.334194 10.2397 0.334199 1.55556 GPRESSAVG: 2630800 -7.20093 -42.6828 8.98388 -45.2501 -10.0493 1.45414 9.53269 1.07836 1.02267 TIMING: 2630800 CPU: 8309.79, 0.00313434/step Wall: 8309.79, 0.00313434/step, 2.06275 hours remaining, 236.890625 MB of memory in use. ENERGY: 2630800 4113.7777 20408.3000 14457.8944 255.9838 -203291.6668 2444.4868 0.0000 0.0000 51698.0919 -109913.1321 297.1096 -161611.2241 -109559.7511 297.8290 -188.1171 -159.0464 761861.8162 -5.3831 -5.4092 PRESSURE: 2631000 -241.644 134.76 152.697 134.76 -161.863 -24.8882 152.697 -24.889 -50.1903 GPRESSURE: 2631000 -223.592 220.209 213.821 188.15 -123.318 38.4528 102.291 -77.2543 -21.4511 PRESSAVG: 2631000 -46.9975 -38.7333 45.9276 -38.7333 55.4119 38.1692 45.9277 38.1692 6.34819 GPRESSAVG: 2631000 -47.682 -38.1881 45.5761 -37.5739 57.0066 35.7387 45.1061 38.8162 5.79829 TIMING: 2631000 CPU: 8310.42, 0.00315246/step Wall: 8310.42, 0.00315246/step, 2.07449 hours remaining, 236.890625 MB of memory in use. ENERGY: 2631000 3989.0698 20453.5961 14414.4237 235.0885 -203339.2208 2402.2518 0.0000 0.0000 51817.7334 -110027.0576 297.7972 -161844.7910 -109667.6720 298.1160 -151.2324 -122.7872 762603.4273 4.9209 5.0410 PRESSURE: 2631200 236.133 235.936 136.218 235.936 -120.222 4.01564 136.219 4.01558 331.687 GPRESSURE: 2631200 158.392 167.192 57.4074 147.241 -25.2823 -29.9153 -2.58855 10.2946 390.36 PRESSAVG: 2631200 17.4962 33.6853 54.7167 33.6853 15.154 0.569715 54.7167 0.56978 3.38433 GPRESSAVG: 2631200 19.4113 32.873 55.0042 33.7721 13.3007 2.09729 54.0275 1.35204 3.49227 TIMING: 2631200 CPU: 8311.04, 0.00312049/step Wall: 8311.04, 0.00312049/step, 2.05328 hours remaining, 236.890625 MB of memory in use. ENERGY: 2631200 3939.1232 20401.6646 14439.4511 255.5389 -203675.0614 2735.2435 0.0000 0.0000 52042.7203 -109861.3198 299.0902 -161904.0400 -109499.4169 298.2676 149.1995 174.4899 761364.6075 12.0115 12.0681 PRESSURE: 2631400 30.2034 -43.094 -331.515 -43.095 -79.3188 11.8709 -331.515 11.8699 478.954 GPRESSURE: 2631400 123.998 -23.1909 -295.217 0.262961 -82.9987 8.04335 -193.212 20.9867 455.977 PRESSAVG: 2631400 39.3468 -9.03744 11.6954 -9.03747 -46.1443 32.8994 11.6954 32.8994 1.34884 GPRESSAVG: 2631400 37.3212 -11.3665 11.9455 -7.37058 -45.7965 33.1917 12.0432 30.5782 2.57362 TIMING: 2631400 CPU: 8311.67, 0.00312945/step Wall: 8311.67, 0.00312945/step, 2.05901 hours remaining, 236.890625 MB of memory in use. ENERGY: 2631400 3899.1576 20463.6789 14463.4210 276.2657 -204170.6833 2918.1697 0.0000 0.0000 52410.0483 -109739.9422 301.2013 -162149.9905 -109377.8573 298.7855 143.2796 165.6589 760114.5345 -1.8162 -1.9672 PRESSURE: 2631600 -31.5417 -54.5135 68.9083 -54.5128 281.644 49.4437 68.909 49.4437 -45.4916 GPRESSURE: 2631600 32.6739 93.7572 114.046 18.0193 294.292 67.4023 70.2109 95.7537 -34.1046 PRESSAVG: 2631600 6.07622 -42.3445 22.3951 -42.3445 43.8573 69.4974 22.3952 69.4974 16.9867 GPRESSAVG: 2631600 7.52529 -42.3469 23.0532 -42.3339 44.1636 69.9805 24.9641 70.8084 15.7533 TIMING: 2631600 CPU: 8312.3, 0.00313365/step Wall: 8312.3, 0.00313364/step, 2.06159 hours remaining, 236.890625 MB of memory in use. ENERGY: 2631600 4002.4773 20520.7435 14479.2598 259.2754 -203523.2997 2665.1095 0.0000 0.0000 51830.0696 -109766.3646 297.8681 -161596.4342 -109395.3006 298.4258 68.2036 97.6205 762003.1092 22.3067 22.4807 PRESSURE: 2631800 -364.51 168.432 -106.088 168.433 -111.101 135.279 -106.088 135.28 -306.644 GPRESSURE: 2631800 -256.768 168.193 -116.403 88.8179 -180.374 248.353 -140.495 123.788 -265.435 PRESSAVG: 2631800 -19.6707 17.4677 6.33065 17.4677 9.41543 16.4974 6.33069 16.4975 -12.4769 GPRESSAVG: 2631800 -19.9131 18.9425 4.90326 16.8715 10.4403 16.3945 6.69979 18.0799 -13.2714 TIMING: 2631800 CPU: 8312.92, 0.00314003/step Wall: 8312.92, 0.00314003/step, 2.06562 hours remaining, 236.890625 MB of memory in use. ENERGY: 2631800 4032.4924 20502.7548 14444.3246 251.6039 -202796.7977 1972.3675 0.0000 0.0000 52105.9287 -109487.3257 299.4535 -161593.2545 -109125.7310 298.5108 -260.7518 -234.1922 760999.3647 -7.5774 -7.5814 PRESSURE: 2632000 -224.753 -25.0785 -266.252 -25.0785 139.344 -51.6543 -266.252 -51.6549 -185.457 GPRESSURE: 2632000 -115.194 31.7739 -259.76 37.9918 57.094 -52.3358 -309.41 -117.225 -133.847 PRESSAVG: 2632000 -24.6956 -4.63967 -38.2824 -4.63969 69.087 47.1819 -38.2824 47.1818 -31.1783 GPRESSAVG: 2632000 -23.8078 -4.54634 -36.5523 -6.26686 67.8011 47.7203 -39.7475 45.4287 -30.5229 TIMING: 2632000 CPU: 8313.55, 0.00312536/step Wall: 8313.55, 0.00312536/step, 2.05579 hours remaining, 236.890625 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: 2632000 4041.9488 20537.5446 14408.8434 250.0260 -203162.2930 2530.5373 0.0000 0.0000 51892.0128 -109501.3800 298.2241 -161393.3928 -109147.2102 298.9835 -90.2887 -63.9821 760686.8513 4.4044 4.4901 PRESSURE: 2632200 -222.537 -163.533 -50.882 -163.534 35.4826 75.9692 -50.8817 75.969 -135.43 GPRESSURE: 2632200 -271.103 -93.3308 -12.8178 -233.926 166.943 21.199 -122.856 85.4427 -130.825 PRESSAVG: 2632200 -22.2343 -7.22583 -8.72572 -7.22583 45.713 -50.0579 -8.72571 -50.0579 30.3526 GPRESSAVG: 2632200 -22.8501 -6.77134 -10.0529 -7.44634 45.8425 -50.8447 -11.453 -48.6553 30.9869 TIMING: 2632200 CPU: 8314.17, 0.00312304/step Wall: 8314.17, 0.00312304/step, 2.05409 hours remaining, 236.890625 MB of memory in use. ENERGY: 2632200 4047.4547 20433.2696 14411.5782 252.2680 -203274.8622 2667.9721 0.0000 0.0000 51987.8255 -109474.4941 298.7747 -161462.3196 -109110.0294 298.8914 -107.4949 -78.3286 760884.3491 17.9438 17.9931 LDB: ============= START OF LOAD BALANCING ============== 8326.7 LDB: ============== END OF LOAD BALANCING =============== 8326.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8326.7 LDB: ============= START OF LOAD BALANCING ============== 8327.02 LDB: Largest compute 7049 load 0.032380 is 16.6% of average load 0.195487 LDB: Average compute 0.004390 is 2.2% of average load 0.195487 LDB: TIME 8327.02 LOAD: AVG 0.195487 MAX 0.216538 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.996 MB LDB: TIME 8327.02 LOAD: AVG 0.195487 MAX 0.216538 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.199 MB LDB: TIME 8327.02 LOAD: AVG 0.195487 MAX 0.216538 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.199 MB LDB: ============== END OF LOAD BALANCING =============== 8327.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8327.03 PRESSURE: 2632400 -252.861 -75.9164 -29.2912 -75.916 53.9308 -52.2602 -29.2911 -52.2602 -127.419 GPRESSURE: 2632400 -163.898 74.0309 57.4575 -42.554 20.2881 -54.466 -63.7459 -134.055 -103.751 PRESSAVG: 2632400 -16.4749 -27.5232 -10.1752 -27.5232 0.373312 45.8486 -10.1751 45.8486 -15.3208 GPRESSAVG: 2632400 -17.9857 -27.8971 -8.92914 -28.1147 0.946724 47.3173 -6.6996 43.9846 -14.493 TIMING: 2632400 CPU: 8314.81, 0.00318809/step Wall: 8314.81, 0.00318809/step, 2.0967 hours remaining, 236.156250 MB of memory in use. ENERGY: 2632400 4022.5746 20494.8905 14424.8756 250.6822 -203769.8132 2813.6035 0.0000 0.0000 52151.1299 -109612.0570 299.7133 -161763.1868 -109256.4932 299.1788 -108.7831 -82.4535 761695.5953 -10.4741 -10.5107 PRESSURE: 2632600 -351.552 124.239 -18.4786 124.239 -78.3463 -200.961 -18.4772 -200.96 -500.223 GPRESSURE: 2632600 -272.666 32.7508 -33.6023 76.6732 -60.6629 -89.34 -209.288 -177.341 -497.368 PRESSAVG: 2632600 -14.9272 -2.60564 -6.80822 -2.60564 42.3955 0.803341 -6.80828 0.803293 20.8695 GPRESSAVG: 2632600 -12.9556 -1.82044 -7.53112 -3.29968 41.1258 -0.194922 -8.86359 2.59318 20.6347 TIMING: 2632600 CPU: 8315.44, 0.0031365/step Wall: 8315.44, 0.0031365/step, 2.0626 hours remaining, 236.359375 MB of memory in use. ENERGY: 2632600 3995.0815 20557.4711 14403.7964 235.2178 -203273.6822 2378.7397 0.0000 0.0000 52049.6362 -109653.7395 299.1300 -161703.3757 -109296.9679 298.7073 -310.0404 -276.8988 760408.6178 16.1126 16.2683 PRESSURE: 2632800 61.0669 85.3115 -84.8448 85.3124 248.556 -115.799 -84.8453 -115.798 464.59 GPRESSURE: 2632800 76.2903 83.4639 -76.3846 60.9726 315.139 -199.877 -119.21 -70.8253 459.281 PRESSAVG: 2632800 -2.22924 26.1008 -1.60579e-05 26.1008 2.03315 8.00444 3.01574e-05 8.00449 -3.28935 GPRESSAVG: 2632800 -3.13361 25.7895 0.0343154 25.0601 4.2785 9.41558 0.484354 6.32617 -4.0876 TIMING: 2632800 CPU: 8316.06, 0.00313456/step Wall: 8316.06, 0.00313456/step, 2.06115 hours remaining, 236.359375 MB of memory in use. ENERGY: 2632800 4068.8406 20421.6002 14316.7002 250.5454 -203701.7100 2918.2986 0.0000 0.0000 52008.4938 -109717.2311 298.8935 -161725.7249 -109353.0699 298.8048 258.0709 283.5702 760428.3871 -1.1618 -0.9809 PRESSURE: 2633000 22.6311 -38.8999 -101.662 -38.9008 75.4524 -10.326 -101.661 -10.3262 -306.745 GPRESSURE: 2633000 2.24623 -98.6987 -37.7424 -102.209 111.341 -43.2278 -58.6924 64.1534 -242.824 PRESSAVG: 2633000 -12.7976 -49.4382 6.01679 -49.4382 20.5789 33.6321 6.01677 33.6321 -2.32121 GPRESSAVG: 2633000 -11.231 -50.7166 5.37116 -46.9445 18.5631 33.2297 7.98498 34.7637 -2.04365 TIMING: 2633000 CPU: 8316.69, 0.00312856/step Wall: 8316.69, 0.00312856/step, 2.05703 hours remaining, 236.359375 MB of memory in use. ENERGY: 2633000 4077.7973 20485.7794 14489.0048 241.5193 -202699.3448 2307.5912 0.0000 0.0000 51600.5404 -109497.1125 296.5490 -161097.6529 -109132.3596 298.6958 -69.5539 -43.0791 762003.9604 1.8200 1.7628 PRESSURE: 2633200 282.439 -36.1235 312.911 -36.1228 -235.047 128.283 312.91 128.283 374.915 GPRESSURE: 2633200 325.729 -33.0737 259.498 51.4019 -166.858 158.92 255.839 14.3246 336.912 PRESSAVG: 2633200 52.6757 -35.9265 2.27233 -35.9266 -24.0543 -1.2295 2.27232 -1.22944 -8.86018 GPRESSAVG: 2633200 51.7443 -32.1537 2.9331 -37.0525 -23.739 -2.83121 -0.531408 -3.3438 -8.25865 TIMING: 2633200 CPU: 8317.32, 0.00312904/step Wall: 8317.32, 0.00312904/step, 2.05717 hours remaining, 236.359375 MB of memory in use. ENERGY: 2633200 4040.6194 20433.1409 14357.4108 247.0364 -203478.6751 2663.7064 0.0000 0.0000 52321.5792 -109415.1820 300.6928 -161736.7612 -109053.6753 299.5519 140.7686 165.2610 761653.5861 6.5871 6.5822 PRESSURE: 2633400 4.54163 -87.998 -13.362 -87.9974 -149.133 -44.2346 -13.3625 -44.2337 71.2529 GPRESSURE: 2633400 20.6407 -242.341 6.94707 -219.79 -80.0848 10.0251 -66.2649 -21.7464 67.5129 PRESSAVG: 2633400 -49.8375 -72.6968 25.7561 -72.6969 20.3647 -22.7628 25.7561 -22.7628 12.0582 GPRESSAVG: 2633400 -50.6657 -77.5607 27.0511 -73.6838 20.9915 -21.3232 25.4826 -21.1824 12.5023 TIMING: 2633400 CPU: 8317.94, 0.00313365/step Wall: 8317.94, 0.00313365/step, 2.06002 hours remaining, 236.359375 MB of memory in use. ENERGY: 2633400 3891.2664 20500.5557 14468.7865 240.9050 -203289.8353 2441.9429 0.0000 0.0000 52220.7417 -109525.6370 300.1133 -161746.3787 -109156.8555 299.3004 -24.4462 2.6896 760229.4156 -5.8049 -5.7239 PRESSURE: 2633600 -310.749 -170.625 51.3269 -170.625 -320.314 41.047 51.3259 41.0467 -561.028 GPRESSURE: 2633600 -306.017 -193.957 102.536 -142.271 -307.539 88.3648 27.451 -38.1785 -504.825 PRESSAVG: 2633600 22.301 25.3237 2.87855 25.3237 -7.19662 27.9281 2.87851 27.9281 -6.58298 GPRESSAVG: 2633600 22.3888 27.1024 1.92615 23.8867 -7.49155 27.9495 4.78288 28.276 -6.18529 TIMING: 2633600 CPU: 8318.57, 0.00314255/step Wall: 8318.57, 0.00314255/step, 2.0657 hours remaining, 236.359375 MB of memory in use. ENERGY: 2633600 3990.5878 20550.8213 14423.3319 223.6125 -202943.9676 2125.2552 0.0000 0.0000 52051.3654 -109578.9936 299.1399 -161630.3589 -109214.3990 299.3475 -397.3636 -372.7938 762959.6302 2.8405 2.9040 PRESSURE: 2633800 -26.2576 -158.58 -10.0545 -158.581 -420.65 -36.9691 -10.0549 -36.9688 -318.593 GPRESSURE: 2633800 3.92412 -8.63356 -13.6136 -37.1537 -457.845 4.41951 42.5542 -0.341162 -251.317 PRESSAVG: 2633800 -6.99962 -20.9939 -2.03676 -20.9939 2.12065 -33.0282 -2.03674 -33.0283 9.45697 GPRESSAVG: 2633800 -5.69471 -20.5299 -2.44101 -17.991 2.64145 -34.3996 -0.100962 -32.2585 7.93234 TIMING: 2633800 CPU: 8319.2, 0.00314311/step Wall: 8319.2, 0.00314311/step, 2.0659 hours remaining, 236.617188 MB of memory in use. ENERGY: 2633800 4044.1831 20409.4010 14405.7029 230.9922 -202986.3705 2440.0538 0.0000 0.0000 51891.5730 -109564.4643 298.2216 -161456.0373 -109206.7343 298.0085 -255.1669 -235.0793 762034.6562 1.5260 1.6264 PRESSURE: 2634000 42.3142 4.35863 43.2247 4.35942 -47.695 -315.208 43.2247 -315.209 198.764 GPRESSURE: 2634000 67.617 23.1999 75.2866 2.97797 37.049 -248.618 -10.0556 -297.996 159.037 PRESSAVG: 2634000 -35.6683 -41.0813 -34.8371 -41.0813 -16.4673 10.4449 -34.8371 10.4449 -2.68453 GPRESSAVG: 2634000 -35.3069 -42.0476 -33.9395 -41.9006 -16.3681 11.2477 -36.9075 11.4951 -2.82883 TIMING: 2634000 CPU: 8319.83, 0.00314982/step Wall: 8319.83, 0.00314982/step, 2.07013 hours remaining, 236.617188 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: 2634000 4017.0133 20431.9116 14444.6325 246.9709 -203366.3197 2664.9836 0.0000 0.0000 52119.6092 -109441.1986 299.5321 -161560.8078 -109077.1532 299.2329 64.4611 87.9011 762838.1766 -18.2734 -18.1679 PRESSURE: 2634200 101.546 24.5657 -282.927 24.5671 19.7891 41.8897 -282.927 41.8894 69.7064 GPRESSURE: 2634200 87.5682 -31.7812 -259.965 -170.439 71.1898 -13.7107 -261.718 79.2776 99.1979 PRESSAVG: 2634200 -21.1663 -26.033 -44.9473 -26.033 72.7804 -36.0913 -44.9473 -36.0912 13.9247 GPRESSAVG: 2634200 -22.1744 -26.028 -45.1128 -26.1541 73.2285 -36.1401 -44.751 -37.8916 14.5466 TIMING: 2634200 CPU: 8320.46, 0.00315387/step Wall: 8320.46, 0.00315387/step, 2.07262 hours remaining, 236.617188 MB of memory in use. ENERGY: 2634200 3936.1948 20558.4242 14500.3833 229.9363 -203263.9557 2518.9888 0.0000 0.0000 51879.7023 -109640.3259 298.1534 -161520.0282 -109285.8083 299.1897 63.6805 85.9853 761011.4874 21.8463 21.8669 PRESSURE: 2634400 -209.81 -33.8559 -3.7337 -33.8551 61.4285 -58.6762 -3.73361 -58.6757 771.812 GPRESSURE: 2634400 -112.685 -125.915 69.2549 1.47086 142.228 -24.0788 -127.138 -36.7108 706.342 PRESSAVG: 2634400 -4.53781 -27.6299 11.7532 -27.6299 -1.299 -11.0974 11.7532 -11.0974 -14.4974 GPRESSAVG: 2634400 -3.75884 -27.0996 12.043 -28.7378 -1.28971 -10.5387 11.0033 -10.7486 -15.3969 TIMING: 2634400 CPU: 8321.09, 0.00315564/step Wall: 8321.09, 0.00315564/step, 2.07361 hours remaining, 236.617188 MB of memory in use. ENERGY: 2634400 3956.5889 20382.1004 14436.4695 240.2669 -202980.4626 2371.4572 0.0000 0.0000 51984.9289 -109608.6507 298.7581 -161593.5797 -109246.4645 298.8332 207.8103 245.2953 763042.6014 -6.7781 -6.8151 PRESSURE: 2634600 103.314 -30.0104 -177.302 -30.0105 -24.0624 88.0869 -177.301 88.0882 -229.132 GPRESSURE: 2634600 115.224 39.6455 -105.543 51.7973 1.43599 142.235 -136.847 112.823 -193.135 PRESSAVG: 2634600 14.2046 -9.41325 6.56041 -9.41327 -17.1528 -48.5921 6.56037 -48.5921 -11.0115 GPRESSAVG: 2634600 14.0318 -8.97252 5.95363 -8.7684 -18.006 -47.4358 6.34247 -50.0619 -9.94667 TIMING: 2634600 CPU: 8321.72, 0.00313437/step Wall: 8321.72, 0.00313437/step, 2.05945 hours remaining, 236.617188 MB of memory in use. ENERGY: 2634600 3954.7429 20511.9547 14410.5514 248.3930 -203428.8027 2718.7673 0.0000 0.0000 51883.7272 -109700.6662 298.1765 -161584.3935 -109342.5783 298.5709 -49.9604 -25.4917 763249.1143 -4.6532 -4.6403 PRESSURE: 2634800 -10.8399 1.69839 127.559 1.69819 -175.002 362.211 127.56 362.211 99.7152 GPRESSURE: 2634800 46.5984 -14.0275 144.56 71.8597 -75.1379 351.151 185.625 262.306 32.4493 PRESSAVG: 2634800 34.7716 -35.5267 9.58495 -35.5267 -20.4466 -20.0282 9.58493 -20.0283 -5.92664 GPRESSAVG: 2634800 34.423 -37.3402 8.98977 -33.18 -20.484 -19.9353 10.7849 -20.1051 -6.25404 TIMING: 2634800 CPU: 8322.35, 0.00313909/step Wall: 8322.35, 0.00313909/step, 2.06239 hours remaining, 236.617188 MB of memory in use. ENERGY: 2634800 4000.7791 20399.4826 14456.7179 259.1328 -203266.5439 2701.5277 0.0000 0.0000 51757.1525 -109691.7513 297.4491 -161448.9038 -109335.7320 298.5949 -28.7090 1.3032 762528.2919 2.7994 2.5617 PRESSURE: 2635000 64.0431 5.57205 -240.138 5.57214 158.46 57.5587 -240.138 57.5573 -288.514 GPRESSURE: 2635000 97.4704 24.2305 -310.97 40.547 211.779 13.6927 -124.826 22.4733 -308.584 PRESSAVG: 2635000 24.9994 -34.7382 57.2656 -34.7382 -32.9139 -58.6982 57.2656 -58.6982 -5.27287 GPRESSAVG: 2635000 26.0736 -33.4643 59.6367 -36.126 -33.6643 -61.5626 54.44 -58.5094 -5.21583 TIMING: 2635000 CPU: 8322.97, 0.00313105/step Wall: 8322.97, 0.00313105/step, 2.05693 hours remaining, 236.617188 MB of memory in use. ENERGY: 2635000 3979.2905 20436.0500 14439.4073 255.6696 -203300.4962 2532.0226 0.0000 0.0000 52068.4319 -109589.6243 299.2380 -161658.0562 -109224.3098 298.1709 -22.0038 0.2219 762046.3057 -4.3958 -4.2688 PRESSURE: 2635200 102.352 -103.993 56.3907 -103.994 221.187 -182.447 56.3913 -182.446 48.2937 GPRESSURE: 2635200 66.6273 -169.202 77.3932 -68.6356 320.823 -236.304 -17.7704 -131.33 80.8275 PRESSAVG: 2635200 -8.40701 28.3666 48.8975 28.3667 25.2292 -23.9144 48.8975 -23.9144 17.1232 GPRESSAVG: 2635200 -10.0926 28.7076 46.5913 26.7495 26.3992 -22.0754 51.9257 -23.5284 17.0965 TIMING: 2635200 CPU: 8323.6, 0.00312727/step Wall: 8323.6, 0.00312727/step, 2.05427 hours remaining, 236.617188 MB of memory in use. ENERGY: 2635200 4006.6896 20525.0748 14408.9555 242.8913 -203242.0193 2523.9658 0.0000 0.0000 51949.9525 -109584.4898 298.5571 -161534.4423 -109221.9083 298.4215 123.9443 156.0927 760982.6615 11.3151 11.1343 PRESSURE: 2635400 -605.253 35.2585 -239.107 35.2588 -21.6517 117.737 -239.107 117.737 34.1941 GPRESSURE: 2635400 -411.408 14.2264 -196.49 -12.1958 -125.713 154.924 -108.601 -23.5213 14.0051 PRESSAVG: 2635400 36.8661 -2.39125 15.0965 -2.39124 18.2652 -87.8737 15.0964 -87.8737 -17.1985 GPRESSAVG: 2635400 38.1113 -4.30811 17.016 -1.27818 17.0225 -89.747 15.6212 -87.2095 -17.2059 TIMING: 2635400 CPU: 8324.23, 0.00314642/step Wall: 8324.23, 0.00314642/step, 2.06668 hours remaining, 236.617188 MB of memory in use. ENERGY: 2635400 3954.5346 20403.5176 14393.6661 227.9593 -203178.1143 2561.2725 0.0000 0.0000 52210.1107 -109427.0535 300.0522 -161637.1642 -109054.4145 298.7949 -197.5702 -174.3721 763447.0385 12.6443 12.6426 PRESSURE: 2635600 120.869 -253.632 85.0256 -253.633 -109.184 101.876 85.0262 101.876 -54.5591 GPRESSURE: 2635600 74.0242 -227.515 137.789 -198.131 -60.3163 11.3257 17.2042 170.535 25.7001 PRESSAVG: 2635600 39.2384 -29.1232 4.93534 -29.1232 -44.148 -36.145 4.93528 -36.145 -6.28904 GPRESSAVG: 2635600 38.1585 -27.4889 5.39345 -29.9722 -43.0942 -35.9166 5.45874 -37.4717 -7.11505 TIMING: 2635600 CPU: 8324.86, 0.00314589/step Wall: 8324.86, 0.00314589/step, 2.06615 hours remaining, 236.617188 MB of memory in use. ENERGY: 2635600 3921.8634 20415.1940 14412.0500 239.9542 -203204.3021 2629.8096 0.0000 0.0000 51884.3280 -109701.1029 298.1799 -161585.4309 -109347.3839 298.3883 -14.2911 13.1360 762789.6836 -3.7329 -4.0169 PRESSURE: 2635800 292.52 -82.4524 -112.999 -82.4534 -381.161 -155.853 -113 -155.853 -179.589 GPRESSURE: 2635800 243.977 -30.4043 -120.836 -105.476 -276.393 -51.0324 -60.5203 -170.139 -150.915 PRESSAVG: 2635800 80.6923 -5.1769 -1.80359 -5.17684 -42.6163 8.32919 -1.8036 8.32929 -1.22196 GPRESSAVG: 2635800 81.124 -4.46405 -0.957174 -2.75152 -42.8276 9.38063 -4.95672 8.48416 -1.8023 TIMING: 2635800 CPU: 8325.48, 0.00313521/step Wall: 8325.48, 0.00313521/step, 2.05896 hours remaining, 236.617188 MB of memory in use. ENERGY: 2635800 4046.0295 20345.5009 14391.6626 241.9209 -203170.6997 2584.0775 0.0000 0.0000 51849.5673 -109711.9410 297.9802 -161561.5083 -109343.2518 298.3964 -89.4102 -61.1102 762415.7231 12.2847 12.1647 PRESSURE: 2636000 51.8281 -71.0987 114.402 -71.0994 235.598 100.826 114.402 100.826 -48.3761 GPRESSURE: 2636000 103.113 -80.1678 143.555 14.5318 241.34 113.376 225.343 195.951 -25.4478 PRESSAVG: 2636000 50.0239 -58.3698 48.6667 -58.3698 -53.0562 -5.71903 48.6666 -5.71913 0.822061 GPRESSAVG: 2636000 49.4706 -58.3304 47.7541 -60.265 -53.6439 -5.804 48.5391 -4.70774 2.09271 TIMING: 2636000 CPU: 8326.11, 0.00315101/step Wall: 8326.11, 0.00315101/step, 2.06916 hours remaining, 236.617188 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: 2636000 4047.4703 20479.1753 14348.5007 236.0012 -203354.6743 2632.2397 0.0000 0.0000 51887.6531 -109723.6340 298.1991 -161611.2871 -109367.9548 298.4828 79.6834 106.3350 762258.7218 -0.7367 -0.6936 PRESSURE: 2636200 154.457 82.2145 -64.429 82.2153 445.681 308.741 -64.4292 308.742 471.898 GPRESSURE: 2636200 200.168 59.7891 -79.1204 39.3727 482.168 320.435 -64.2713 193.581 480.888 PRESSAVG: 2636200 21.8449 -27.4461 19.1847 -27.4462 26.1415 6.88786 19.1847 6.88788 -0.158968 GPRESSAVG: 2636200 22.8997 -29.031 17.4069 -26.0235 25.9817 6.23559 22.1055 6.07931 -0.70929 TIMING: 2636200 CPU: 8326.74, 0.00313287/step Wall: 8326.74, 0.00313287/step, 2.05708 hours remaining, 236.617188 MB of memory in use. ENERGY: 2636200 3979.2443 20379.1214 14489.0105 233.2540 -203993.2776 2886.4716 0.0000 0.0000 51994.9465 -110031.2292 298.8157 -162026.1758 -109678.4416 298.0418 357.3452 387.7412 760582.5701 15.9425 16.0574 LDB: ============= START OF LOAD BALANCING ============== 8339.27 LDB: ============== END OF LOAD BALANCING =============== 8339.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8339.27 LDB: ============= START OF LOAD BALANCING ============== 8339.59 LDB: Largest compute 7057 load 0.031998 is 16.4% of average load 0.195528 LDB: Average compute 0.004381 is 2.2% of average load 0.195528 LDB: TIME 8339.59 LOAD: AVG 0.195528 MAX 0.216685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237 MB LDB: TIME 8339.59 LOAD: AVG 0.195528 MAX 0.216685 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.004 MB LDB: TIME 8339.59 LOAD: AVG 0.195528 MAX 0.216685 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.004 MB LDB: ============== END OF LOAD BALANCING =============== 8339.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8339.6 PRESSURE: 2636400 -253.952 111.085 202.324 111.085 -11.6375 44.361 202.325 44.3614 -134.645 GPRESSURE: 2636400 -223.316 61.7271 98.7872 27.1391 -5.77579 -29.1905 158.388 99.6567 -95.009 PRESSAVG: 2636400 11.7717 10.5001 -19.5974 10.5001 10.2005 9.98591 -19.5975 9.98593 34.7044 GPRESSAVG: 2636400 11.1477 9.48475 -18.7307 9.73195 10.7888 11.4557 -20.3448 9.36677 34.3608 TIMING: 2636400 CPU: 8327.38, 0.00320562/step Wall: 8327.38, 0.00320562/step, 2.10467 hours remaining, 235.609375 MB of memory in use. ENERGY: 2636400 3981.9819 20477.8367 14406.2163 236.6188 -203203.5346 2538.1251 0.0000 0.0000 51896.9967 -109665.7590 298.2528 -161562.7557 -109306.4843 298.0831 -133.4115 -108.0335 762895.9531 18.8922 18.7658 PRESSURE: 2636600 550.245 78.2459 -59.2369 78.2461 31.6074 -156.402 -59.2363 -156.402 415.278 GPRESSURE: 2636600 554.271 5.50456 -76.0321 63.972 128.61 -173.846 -21.7423 -109.022 398.772 PRESSAVG: 2636600 -19.7682 10.3913 -43.0268 10.3913 -5.44447 -28.1436 -43.0268 -28.1436 -29.9454 GPRESSAVG: 2636600 -20.5117 9.93212 -43.2886 11.6298 -6.15385 -29.6265 -43.5709 -26.8027 -28.2424 TIMING: 2636600 CPU: 8328.01, 0.00315487/step Wall: 8328.01, 0.00315487/step, 2.07117 hours remaining, 235.878906 MB of memory in use. ENERGY: 2636600 3983.4379 20522.3780 14505.9442 243.4165 -203681.2659 2716.9368 0.0000 0.0000 52090.2690 -109618.8835 299.3635 -161709.1525 -109270.0865 298.9985 332.3768 360.5510 762262.1522 -18.3860 -18.3026 PRESSURE: 2636800 236.515 -42.5457 116.276 -42.545 451.426 -2.84101 116.275 -2.84206 -123.752 GPRESSURE: 2636800 315.772 83.4227 107.677 -26.2247 354.417 47.9292 131.357 -23.3213 -15.1418 PRESSAVG: 2636800 35.5699 -1.55256 -9.37117 -1.55257 27.2919 2.51726 -9.3712 2.51719 20.0405 GPRESSAVG: 2636800 37.3098 -1.00036 -8.56328 -2.12217 27.1134 2.60374 -9.02183 3.85418 18.9265 TIMING: 2636800 CPU: 8328.64, 0.00314544/step Wall: 8328.64, 0.00314544/step, 2.0648 hours remaining, 235.878906 MB of memory in use. ENERGY: 2636800 3897.6261 20445.0735 14454.9594 261.8903 -203278.7726 2653.2666 0.0000 0.0000 52063.0146 -109502.9421 299.2069 -161565.9567 -109141.1271 299.1877 188.0630 218.3492 761973.1317 27.6341 27.7832 PRESSURE: 2637000 -179.887 110.277 -169.529 110.276 -427.978 267.471 -169.53 267.471 -100.283 GPRESSURE: 2637000 2.11025 114.029 -196.079 65.7594 -481.701 312.864 -60.3463 216.376 -150.655 PRESSAVG: 2637000 26.0605 1.12638 -51.0319 1.12631 -7.03626 38.6258 -51.0319 38.6258 2.20727 GPRESSAVG: 2637000 25.3941 3.10772 -51.9899 -0.274816 -6.53172 38.7753 -51.4404 36.7151 2.49298 TIMING: 2637000 CPU: 8329.27, 0.00314513/step Wall: 8329.27, 0.00314512/step, 2.06442 hours remaining, 235.878906 MB of memory in use. ENERGY: 2637000 3962.6525 20567.8739 14529.3631 247.3006 -203201.0426 2688.8078 0.0000 0.0000 51980.4141 -109224.6305 298.7322 -161205.0446 -108857.7575 299.4134 -236.0489 -210.0819 762439.4915 7.0772 7.1185 PRESSURE: 2637200 130.709 -160.37 55.1517 -160.37 422.151 -70.2225 55.1524 -70.2217 -11.8828 GPRESSURE: 2637200 180.241 -124.772 35.7168 -155.622 366.327 -55.8493 -48.5869 -1.6781 85.3368 PRESSAVG: 2637200 33.838 45.3597 -9.57401 45.3598 -29.2851 22.6795 -9.57396 22.6795 -26.4904 GPRESSAVG: 2637200 34.6851 46.1592 -9.31831 47.3404 -30.3692 20.9863 -8.6019 21.6317 -26.1489 TIMING: 2637200 CPU: 8329.9, 0.00312872/step Wall: 8329.9, 0.00312872/step, 2.05349 hours remaining, 235.878906 MB of memory in use. ENERGY: 2637200 3960.7569 20442.4158 14450.7097 232.3749 -202917.4594 2468.4581 0.0000 0.0000 51964.4542 -109398.2898 298.6404 -161362.7440 -109025.3301 299.2453 180.3257 210.6352 761229.5586 -7.3125 -7.2777 PRESSURE: 2637400 -277.561 -135.412 -53.6208 -135.412 -112.554 -135.898 -53.621 -135.899 -17.7639 GPRESSURE: 2637400 -130.293 -78.6672 -51.559 -271.778 -162.583 -178.353 -54.5573 77.5718 -41.7465 PRESSAVG: 2637400 -5.64606 -36.7841 -17.6224 -36.7841 26.704 -3.04729 -17.6224 -3.04724 17.0486 GPRESSAVG: 2637400 -5.5133 -37.7228 -16.6878 -38.0998 27.3772 -0.875824 -20.6401 -2.58286 15.8985 TIMING: 2637400 CPU: 8330.52, 0.00313642/step Wall: 8330.52, 0.00313642/step, 2.05836 hours remaining, 235.878906 MB of memory in use. ENERGY: 2637400 3946.6714 20504.0697 14410.0967 241.6973 -202922.6957 2329.5955 0.0000 0.0000 52168.0445 -109322.5206 299.8105 -161490.5651 -108977.0124 299.1575 -135.9596 -111.5409 761708.0455 12.7022 12.5875 PRESSURE: 2637600 -78.7163 155.044 -25.6694 155.044 -656.67 -64.6601 -25.6685 -64.6596 -167.13 GPRESSURE: 2637600 -75.8419 206.382 -61.1913 75.1413 -594.994 1.53156 21.9145 -149.561 -110.604 PRESSAVG: 2637600 23.9127 -32.5506 23.4371 -32.5507 6.92284 28.6288 23.437 28.6288 -0.219 GPRESSAVG: 2637600 22.2775 -33.8128 24.9624 -33.5808 7.772 25.5378 24.9589 32.1937 0.0183762 TIMING: 2637600 CPU: 8331.15, 0.00313133/step Wall: 8331.15, 0.00313133/step, 2.05485 hours remaining, 235.878906 MB of memory in use. ENERGY: 2637600 4000.5766 20597.1502 14436.9607 253.2346 -202926.2790 2386.2340 0.0000 0.0000 52059.5300 -109192.5928 299.1868 -161252.1228 -108833.9712 299.9251 -300.8386 -260.4801 761758.8250 10.2055 10.0226 PRESSURE: 2637800 7.3995 -154.337 104.97 -154.337 -129.224 -43.2433 104.969 -43.243 20.8383 GPRESSURE: 2637800 -10.73 -154.595 101.686 -161.478 -63.5666 -61.8096 -42.7539 11.2868 72.9586 PRESSAVG: 2637800 31.7958 -4.51737 -14.3095 -4.51745 -21.1488 -33.95 -14.3095 -33.95 27.6371 GPRESSAVG: 2637800 31.2856 -2.44752 -14.5167 -4.01249 -21.9497 -32.4396 -13.0269 -37.1088 28.6153 TIMING: 2637800 CPU: 8331.78, 0.00313086/step Wall: 8331.78, 0.00313086/step, 2.05437 hours remaining, 235.878906 MB of memory in use. ENERGY: 2637800 4038.9494 20441.1246 14487.6245 238.9417 -203132.7837 2563.0622 0.0000 0.0000 52322.5749 -109040.5064 300.6986 -161363.0813 -108673.5531 300.0532 -33.6621 -0.4460 760122.1512 12.7614 12.6504 PRESSURE: 2638000 4.19078 -127.895 197.299 -127.894 -395.32 -67.3066 197.3 -67.3058 -98.2282 GPRESSURE: 2638000 46.5629 -177.883 257.012 -131.03 -302.642 -129.997 92.6741 4.89862 -151.806 PRESSAVG: 2638000 22.065 -46.2957 -61.3269 -46.2957 4.59175 50.5048 -61.3269 50.5048 5.1036 GPRESSAVG: 2638000 23.2096 -47.2351 -62.5212 -46.3773 4.91796 51.2327 -60.1987 50.9302 3.12304 TIMING: 2638000 CPU: 8332.4, 0.00312898/step Wall: 8332.4, 0.00312898/step, 2.05296 hours remaining, 235.878906 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: 2638000 4051.2223 20612.4416 14504.3836 249.9743 -203124.8920 2536.2621 0.0000 0.0000 52190.5875 -108980.0205 299.9400 -161170.6080 -108618.7076 300.1245 -163.1191 -135.9616 762652.8036 10.5868 10.4169 PRESSURE: 2638200 -253.905 -203.894 85.1749 -203.893 -53.2545 141.916 85.175 141.916 -171.54 GPRESSURE: 2638200 -167.738 -66.946 101.507 -125.057 -0.129767 161.058 -18.4292 155.935 -230.935 PRESSAVG: 2638200 19.5467 7.70436 22.3807 7.70437 -2.99856 -6.05115 22.3807 -6.05121 -19.4022 GPRESSAVG: 2638200 18.447 8.39302 22.1189 8.71852 -3.4193 -6.01607 22.0128 -7.6682 -18.1801 TIMING: 2638200 CPU: 8333.03, 0.00314381/step Wall: 8333.03, 0.00314381/step, 2.06252 hours remaining, 235.878906 MB of memory in use. ENERGY: 2638200 3999.0119 20705.0667 14418.5369 234.7058 -202890.9820 2346.1238 0.0000 0.0000 52191.4619 -108996.0749 299.9450 -161187.5368 -108640.7869 300.1179 -159.5666 -132.9342 762121.1892 -0.9514 -1.0508 PRESSURE: 2638400 474.25 95.0997 -58.1415 95.0995 -10.7723 203.544 -58.1418 203.544 0.595841 GPRESSURE: 2638400 415.436 97.4859 -31.145 74.0532 124.165 257.274 -37.8794 227.103 -22.634 PRESSAVG: 2638400 36.1345 -30.1129 -0.600534 -30.1129 -28.3077 27.0975 -0.60049 27.0975 21.9212 GPRESSAVG: 2638400 36.1578 -32.2888 0.805485 -31.4 -28.1289 25.979 -4.50125 31.4761 22.0269 TIMING: 2638400 CPU: 8333.66, 0.00314777/step Wall: 8333.66, 0.00314777/step, 2.06493 hours remaining, 235.878906 MB of memory in use. ENERGY: 2638400 3939.3346 20679.0007 14497.1014 259.5372 -202793.6602 2356.0627 0.0000 0.0000 52124.7162 -108937.9074 299.5615 -161062.6236 -108577.3928 300.0817 154.6913 172.3226 762139.1123 9.9160 10.0186 PRESSURE: 2638600 145.267 188.848 -157.028 188.849 251.283 242.386 -157.027 242.386 258.949 GPRESSURE: 2638600 151.531 134.662 -118.317 276.404 297.441 314.251 -75.1846 162.616 284.131 PRESSAVG: 2638600 23.5672 -5.0328 6.44506 -5.03283 -50.5019 -0.437405 6.44502 -0.43738 -28.6262 GPRESSAVG: 2638600 23.1528 -3.21045 4.30034 -3.9107 -50.8328 1.2449 9.50461 -3.28656 -28.2807 TIMING: 2638600 CPU: 8334.29, 0.00314863/step Wall: 8334.29, 0.00314863/step, 2.06533 hours remaining, 235.878906 MB of memory in use. ENERGY: 2638600 3974.6973 20637.9746 14463.0149 250.6651 -203183.4442 2545.1678 0.0000 0.0000 52376.4201 -108935.5044 301.0080 -161311.9245 -108580.3503 300.4525 218.4998 244.3676 761245.8075 -18.5203 -18.6535 PRESSURE: 2638800 23.3939 72.4161 10.4025 72.4158 -64.9992 2.29357 10.4019 2.29426 -194.383 GPRESSURE: 2638800 86.4813 71.1841 47.5433 52.0074 -21.349 -14.5046 50.073 0.626348 -229.779 PRESSAVG: 2638800 24.1797 19.5905 -65.5596 19.5904 -27.8054 2.94423 -65.5596 2.94424 28.2752 GPRESSAVG: 2638800 24.4889 16.9811 -63.4937 18.0401 -28.0453 2.22381 -66.909 5.5043 27.8351 TIMING: 2638800 CPU: 8334.91, 0.00312082/step Wall: 8334.91, 0.00312082/step, 2.04691 hours remaining, 235.878906 MB of memory in use. ENERGY: 2638800 4052.7333 20446.1044 14471.4658 238.9776 -203187.8337 2433.9098 0.0000 0.0000 52563.3757 -108981.2671 302.0824 -161544.6429 -108607.3323 300.1559 -78.6629 -54.8823 761584.0948 8.2165 8.0929 PRESSURE: 2639000 -132.836 -34.2531 -26.8395 -34.2528 146.636 -158.442 -26.8392 -158.443 -165.281 GPRESSURE: 2639000 -118.637 84.3257 67.1883 -90.4957 143.258 -99.4104 -88.673 -0.762503 -76.3164 PRESSAVG: 2639000 48.7965 42.6982 -16.9463 42.6981 -39.4815 29.2646 -16.9463 29.2647 7.02638 GPRESSAVG: 2639000 48.2736 44.786 -19.077 43.2672 -39.0095 28.2814 -13.8618 28.5423 7.5794 TIMING: 2639000 CPU: 8335.55, 0.00315514/step Wall: 8335.55, 0.00315514/step, 2.06925 hours remaining, 235.878906 MB of memory in use. ENERGY: 2639000 3967.6644 20668.5992 14437.4607 262.1233 -203192.0896 2714.7724 0.0000 0.0000 52053.6544 -109087.8151 299.1531 -161141.4696 -108722.2588 300.3815 -50.4937 -17.2316 762086.0062 5.4471 5.6145 PRESSURE: 2639200 -215.624 -33.9091 128.768 -33.9101 -19.7326 -73.9779 128.766 -73.978 -284.925 GPRESSURE: 2639200 -85.7959 12.2341 218.979 30.9512 -21.7938 -163.019 104.326 -154.283 -314.536 PRESSAVG: 2639200 26.0907 -43.6524 -35.268 -43.6524 -58.0049 -14.2294 -35.2681 -14.2295 -28.7333 GPRESSAVG: 2639200 25.3488 -41.7937 -34.2816 -43.6958 -58.1015 -15.517 -35.8874 -14.7603 -27.9888 TIMING: 2639200 CPU: 8336.17, 0.00312255/step Wall: 8336.17, 0.00312255/step, 2.0477 hours remaining, 235.878906 MB of memory in use. ENERGY: 2639200 4023.7233 20507.5681 14412.2181 229.1562 -203025.6417 2421.3382 0.0000 0.0000 51974.7956 -109456.8422 298.6999 -161431.6378 -109095.1659 299.2629 -173.4272 -140.7086 760823.4222 -20.2158 -20.2472 PRESSURE: 2639400 -254.981 -34.5337 3.95255 -34.5324 -218.615 -22.0652 3.95355 -22.0657 80.9433 GPRESSURE: 2639400 -166.225 -12.1487 -19.242 -30.3996 -277.63 -86.291 96.2449 79.5412 125.258 PRESSAVG: 2639400 15.5076 -5.81768 28.1578 -5.81762 4.549 -35.5186 28.1578 -35.5186 12.4517 GPRESSAVG: 2639400 16.0284 -6.84038 28.2941 -6.16188 4.65623 -34.3491 26.3304 -35.5278 11.565 TIMING: 2639400 CPU: 8336.8, 0.00312771/step Wall: 8336.8, 0.00312771/step, 2.05091 hours remaining, 235.878906 MB of memory in use. ENERGY: 2639400 4055.8366 20406.4930 14443.2058 254.8683 -203395.7581 2750.4445 0.0000 0.0000 52169.9900 -109314.9199 299.8216 -161484.9099 -108954.4662 299.0211 -130.8843 -106.1993 761248.1849 10.8361 10.7499 PRESSURE: 2639600 75.0461 -146.668 56.13 -146.668 -190.37 41.0216 56.1301 41.02 -413.442 GPRESSURE: 2639600 103.61 -19.7268 79.726 -128.268 -159.225 -34.2769 102.403 108.905 -395.184 PRESSAVG: 2639600 70.2458 -46.7799 40.6971 -46.7799 -38.7271 -6.23508 40.6971 -6.23508 -7.46034 GPRESSAVG: 2639600 70.7218 -45.9236 41.5613 -45.7715 -40.176 -7.23217 41.9415 -4.38902 -6.38552 TIMING: 2639600 CPU: 8337.42, 0.00313262/step Wall: 8337.42, 0.00313262/step, 2.05396 hours remaining, 236.082031 MB of memory in use. ENERGY: 2639600 4015.6220 20533.9446 14405.0555 251.8863 -203201.5932 2424.7735 0.0000 0.0000 52083.9749 -109486.3364 299.3273 -161570.3113 -109115.3192 299.2485 -176.2553 -150.2664 759961.2245 8.0194 8.0534 PRESSURE: 2639800 130.443 -140.951 -41.5322 -140.952 -12.6601 164.267 -41.5324 164.267 446.269 GPRESSURE: 2639800 72.0297 -57.5431 32.9273 -263.804 70.8171 113.112 75.7219 71.3994 480.654 PRESSAVG: 2639800 75.996 -89.32 -17.8591 -89.32 -75.8407 12.5573 -17.8591 12.5573 20.4329 GPRESSAVG: 2639800 76.0066 -91.9146 -16.5028 -88.9375 -75.3 13.1156 -16.6262 11.4218 19.8553 TIMING: 2639800 CPU: 8338.04, 0.00311472/step Wall: 8338.04, 0.00311473/step, 2.04205 hours remaining, 236.082031 MB of memory in use. ENERGY: 2639800 3939.7926 20553.8314 14447.0016 260.4315 -203370.2827 2657.9979 0.0000 0.0000 51954.9922 -109556.2355 298.5861 -161511.2277 -109182.2305 299.4135 188.0171 207.8338 761003.3235 6.8627 6.8540 PRESSURE: 2640000 172.418 -224.78 171.662 -224.779 -500.587 -199.899 171.661 -199.898 -192.418 GPRESSURE: 2640000 226.399 -181.47 171.192 -122.555 -525.659 -237.683 167.409 -222.175 -139.333 PRESSAVG: 2640000 35.5348 -55.9962 -17.4497 -55.9962 -70.9284 -12.9903 -17.4497 -12.9902 3.83913 GPRESSAVG: 2640000 36.503 -55.4415 -19.3763 -55.2118 -70.9836 -11.9606 -19.0766 -14.7733 3.00429 TIMING: 2640000 CPU: 8338.67, 0.00313828/step Wall: 8338.67, 0.00313828/step, 2.05731 hours remaining, 236.082031 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: 2640000 3943.8091 20670.1179 14491.3909 254.3880 -203000.2055 2370.2933 0.0000 0.0000 51908.4136 -109361.7927 298.3184 -161270.2063 -109002.8311 298.8444 -173.5292 -146.1975 762106.6649 -10.5181 -10.4921 PRESSURE: 2640200 -183.32 144.623 -198.329 144.623 -444.443 -90.4152 -198.329 -90.4149 56.1894 GPRESSURE: 2640200 -230.188 184.722 -238.764 145.27 -302.388 14.2278 -193.74 103.375 44.5326 PRESSAVG: 2640200 26.3722 -72.7989 13.3841 -72.799 -6.33381 1.95681 13.3841 1.95681 7.55575 GPRESSAVG: 2640200 24.6844 -73.4221 15.2519 -73.9739 -6.95296 2.35131 13.0705 4.47534 8.97568 TIMING: 2640200 CPU: 8339.3, 0.00311906/step Wall: 8339.3, 0.00311906/step, 2.04455 hours remaining, 236.082031 MB of memory in use. ENERGY: 2640200 4031.0503 20590.5009 14488.2503 236.6552 -203231.1365 2460.4170 0.0000 0.0000 52047.3661 -109376.8966 299.1169 -161424.2627 -109015.5617 299.4984 -190.5246 -162.6810 759604.6779 9.1980 8.9024 LDB: ============= START OF LOAD BALANCING ============== 8351.83 LDB: ============== END OF LOAD BALANCING =============== 8351.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8351.83 LDB: ============= START OF LOAD BALANCING ============== 8352.14 LDB: Largest compute 7058 load 0.032100 is 16.4% of average load 0.195519 LDB: Average compute 0.004398 is 2.2% of average load 0.195519 LDB: TIME 8352.15 LOAD: AVG 0.195519 MAX 0.212935 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.863 MB LDB: TIME 8352.15 LOAD: AVG 0.195519 MAX 0.212935 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.863 MB LDB: TIME 8352.15 LOAD: AVG 0.195519 MAX 0.212935 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.863 MB LDB: ============== END OF LOAD BALANCING =============== 8352.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8352.16 PRESSURE: 2640400 -83.8404 -141.026 -49.0741 -141.027 190.774 132.268 -49.0734 132.268 -233.167 GPRESSURE: 2640400 -60.3601 -128.248 -127.658 -179.29 146.374 56.7468 -112.769 80.4961 -129.437 PRESSAVG: 2640400 48.0073 -68.4217 -3.59532 -68.4216 -18.0375 30.271 -3.59533 30.2711 -11.6869 GPRESSAVG: 2640400 48.2522 -67.5875 -5.68679 -70.7032 -17.5192 27.9028 -0.0192364 31.6207 -11.7439 TIMING: 2640400 CPU: 8339.94, 0.00321783/step Wall: 8339.94, 0.00321783/step, 2.10911 hours remaining, 237.496094 MB of memory in use. ENERGY: 2640400 3972.2667 20675.8821 14413.7738 228.6766 -203222.9364 2456.5180 0.0000 0.0000 52049.3430 -109426.4763 299.1283 -161475.8193 -109057.3835 299.1451 -42.0777 -14.4742 760206.2169 6.0943 6.3297 PRESSURE: 2640600 97.7995 -7.66181 -112.811 -7.66292 22.4689 29.9853 -112.811 29.9845 -77.3563 GPRESSURE: 2640600 157.035 -26.2079 34.0226 -23.436 13.6901 117.116 -65.3826 17.8028 -32.9388 PRESSAVG: 2640600 15.5029 -58.2937 38.9646 -58.2937 -12.3247 34.4869 38.9646 34.487 25.3399 GPRESSAVG: 2640600 16.4129 -57.8822 40.0445 -56.5775 -13.4629 36.659 35.9074 31.1803 25.1046 TIMING: 2640600 CPU: 8340.57, 0.00315236/step Wall: 8340.57, 0.00315236/step, 2.06602 hours remaining, 237.496094 MB of memory in use. ENERGY: 2640600 3999.8616 20373.1613 14515.3150 270.9949 -203271.1934 2696.7270 0.0000 0.0000 52187.0172 -109228.1163 299.9195 -161415.1335 -108852.3577 299.6761 14.3041 45.9286 760633.9686 9.5060 9.3515 PRESSURE: 2640800 393.081 46.0063 -11.1813 46.0066 -253.527 125.817 -11.1821 125.818 -266.248 GPRESSURE: 2640800 303.411 76.449 44.6413 23.5681 -181.299 158.671 -8.58275 94.9662 -182.008 PRESSAVG: 2640800 31.334 -12.3684 26.5901 -12.3684 11.727 4.66973 26.5901 4.6698 -7.79132 GPRESSAVG: 2640800 30.1563 -12.792 26.3464 -11.4041 12.3185 3.71427 26.3886 7.35215 -6.64201 TIMING: 2640800 CPU: 8341.2, 0.00312922/step Wall: 8341.2, 0.00312922/step, 2.05068 hours remaining, 237.625000 MB of memory in use. ENERGY: 2640800 3929.7743 20525.3521 14528.3655 255.7004 -203274.3397 2627.6300 0.0000 0.0000 52223.9460 -109183.5713 300.1317 -161407.5174 -108819.2278 299.2769 -42.2315 -19.9652 763480.9521 11.7566 11.9442 PRESSURE: 2641000 -171.606 72.158 80.8495 72.1585 -252.337 94.2456 80.8498 94.245 -229.032 GPRESSURE: 2641000 -100.437 -52.8673 176.342 0.203925 -153.966 42.2737 93.4321 134.353 -314.215 PRESSAVG: 2641000 26.0054 -53.2357 23.4916 -53.2356 -52.1489 -41.3606 23.4917 -41.3605 -1.50513 GPRESSAVG: 2641000 26.5121 -53.7216 23.8366 -54.2644 -51.1546 -39.1665 25.1939 -43.3761 -3.52664 TIMING: 2641000 CPU: 8341.82, 0.00313528/step Wall: 8341.82, 0.00313528/step, 2.05448 hours remaining, 238.003906 MB of memory in use. ENERGY: 2641000 4057.9997 20440.6977 14426.9608 224.7703 -203237.5636 2678.8242 0.0000 0.0000 52119.6853 -109288.6256 299.5325 -161408.3109 -108921.9948 299.1951 -217.6583 -189.5394 763280.0216 -9.2162 -9.3897 PRESSURE: 2641200 -17.4967 -166.769 -105.223 -166.769 -167.782 158.749 -105.223 158.748 -89.9377 GPRESSURE: 2641200 15.9887 -224.998 -78.7386 -24.953 -112.486 118.527 -104.35 217.257 -111.653 PRESSAVG: 2641200 39.1919 -57.8474 23.2914 -57.8473 -31.1809 -5.91947 23.2913 -5.91945 7.01886 GPRESSAVG: 2641200 37.9631 -58.0734 23.0982 -57.6081 -30.4765 -5.70362 22.0411 -6.75803 7.70544 TIMING: 2641200 CPU: 8342.45, 0.0031477/step Wall: 8342.45, 0.0031477/step, 2.06244 hours remaining, 238.003906 MB of memory in use. ENERGY: 2641200 3985.4538 20457.1245 14438.7790 258.8608 -203018.6093 2312.0911 0.0000 0.0000 52179.3281 -109386.9720 299.8753 -161566.3000 -109011.3026 299.6891 -91.7388 -69.3832 761928.6383 5.0100 5.0640 PRESSURE: 2641400 71.4386 -188.545 101.651 -188.545 340.546 136.981 101.651 136.982 -178.776 GPRESSURE: 2641400 130.564 -74.6497 177.009 -279.878 294.473 163.546 38.9191 79.7694 -114.804 PRESSAVG: 2641400 21.438 -52.1719 81.6188 -52.1719 15.906 13.9272 81.6188 13.9272 -6.10992 GPRESSAVG: 2641400 22.0644 -51.1145 81.3892 -51.0651 13.9007 12.9264 82.0449 14.3996 -5.10556 TIMING: 2641400 CPU: 8343.08, 0.0031397/step Wall: 8343.08, 0.0031397/step, 2.05703 hours remaining, 238.003906 MB of memory in use. ENERGY: 2641400 4038.2805 20405.7907 14440.2599 248.0058 -203578.9317 2823.1446 0.0000 0.0000 52080.8564 -109542.5937 299.3094 -161623.4501 -109182.8241 298.7826 77.7360 103.4109 761049.8210 10.4114 10.2865 PRESSURE: 2641600 112.668 99.4261 89.8643 99.4262 -21.8863 242.697 89.8636 242.697 -37.765 GPRESSURE: 2641600 124.818 135.393 161.915 -25.4449 -16.6008 203.811 43.8455 16.2324 14.0919 PRESSAVG: 2641600 89.074 -23.7693 42.512 -23.7694 -59.8149 13.6694 42.512 13.6694 22.3595 GPRESSAVG: 2641600 89.7649 -24.9568 43.3469 -24.8563 -59.3302 12.4556 42.2022 12.3665 21.8116 TIMING: 2641600 CPU: 8343.71, 0.00314886/step Wall: 8343.71, 0.00314886/step, 2.06285 hours remaining, 238.003906 MB of memory in use. ENERGY: 2641600 4001.0466 20476.6037 14401.1196 241.7380 -203356.2150 2613.4407 0.0000 0.0000 52285.7544 -109336.5120 300.4869 -161622.2664 -108975.2551 298.9565 17.6723 40.7698 763715.8001 17.2062 17.4155 PRESSURE: 2641800 58.9019 -44.6961 50.7488 -44.6946 -127.937 72.8923 50.7493 72.8924 52.1095 GPRESSURE: 2641800 51.9765 -42.8716 85.6163 -43.6719 -34.8231 120.571 122.508 23.1971 69.7396 PRESSAVG: 2641800 31.088 -51.8 38.5179 -51.8 -65.4919 4.44825 38.5179 4.44828 2.79751 GPRESSAVG: 2641800 31.4202 -50.461 36.6235 -52.2086 -65.617 4.78509 38.9398 4.70281 3.35492 TIMING: 2641800 CPU: 8344.34, 0.00315746/step Wall: 8344.34, 0.00315746/step, 2.06831 hours remaining, 238.003906 MB of memory in use. ENERGY: 2641800 3953.2699 20462.6345 14404.9306 243.5024 -203456.6175 2635.4540 0.0000 0.0000 52195.3622 -109561.4638 299.9675 -161756.8260 -109205.9895 298.7555 -5.6419 28.9643 760875.2772 -10.5355 -10.2806 PRESSURE: 2642000 -275.508 -312.433 -134.955 -312.432 -143.806 148.419 -134.956 148.418 -339.366 GPRESSURE: 2642000 -261.376 -206.274 -98.5827 -287.002 -47.5223 217.465 -28.2433 97.4561 -377.275 PRESSAVG: 2642000 10.2785 -19.1982 63.8813 -19.1982 -0.256684 20.3026 63.8813 20.3025 -16.0981 GPRESSAVG: 2642000 9.09973 -18.4739 65.2903 -17.0409 0.889087 21.4564 63.1418 22.1328 -16.4379 TIMING: 2642000 CPU: 8344.97, 0.00313603/step Wall: 8344.97, 0.00313603/step, 2.0541 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: 2642000 4031.4394 20509.8497 14447.5874 251.0344 -202874.2563 2218.0274 0.0000 0.0000 52109.9327 -109306.3853 299.4765 -161416.3180 -108947.5769 299.0002 -252.8931 -228.7245 760749.0602 -2.0255 -2.1497 PRESSURE: 2642200 -121.538 -121.849 173.74 -121.849 97.5941 -57.0892 173.74 -57.0889 -480.91 GPRESSURE: 2642200 -54.4831 -95.5762 167.819 -91.0235 48.698 -4.07956 66.4259 -85.5526 -431.721 PRESSAVG: 2642200 -35.463 -65.4123 -8.70204 -65.4123 37.6017 -0.282639 -8.70207 -0.282588 32.3203 GPRESSAVG: 2642200 -35.9137 -65.3237 -10.8705 -67.8468 37.2962 -0.670158 -8.04507 -0.376967 32.507 TIMING: 2642200 CPU: 8345.6, 0.00314237/step Wall: 8345.6, 0.00314237/step, 2.05808 hours remaining, 238.003906 MB of memory in use. ENERGY: 2642200 3943.1999 20557.6036 14504.9931 252.9530 -203004.4377 2346.0187 0.0000 0.0000 51966.6072 -109433.0623 298.6528 -161399.6695 -109069.4098 299.7248 -168.2845 -145.8353 761767.0632 11.4863 11.2965 PRESSURE: 2642400 -125.694 9.70523 -46.3897 9.70561 -318.262 131.615 -46.3886 131.615 -208.627 GPRESSURE: 2642400 -87.0089 -19.9049 -13.9099 34.9873 -245.257 166.372 -72.2306 139.415 -231.281 PRESSAVG: 2642400 21.2139 -63.5845 14.3094 -63.5845 -33.0431 11.3223 14.3095 11.3223 -14.1495 GPRESSAVG: 2642400 20.6652 -63.4516 17.1402 -63.2778 -31.7899 9.2257 12.0579 12.2451 -14.0105 TIMING: 2642400 CPU: 8346.22, 0.00312555/step Wall: 8346.22, 0.00312555/step, 2.04689 hours remaining, 238.003906 MB of memory in use. ENERGY: 2642400 4023.2532 20401.1755 14443.6973 239.4706 -203234.5591 2402.0647 0.0000 0.0000 52213.4414 -109511.4565 300.0714 -161724.8979 -109152.7818 299.2427 -217.5276 -187.8488 761091.8084 -8.6596 -8.3784 PRESSURE: 2642600 -19.4785 152.824 112.234 152.824 -4.82931 41.6773 112.234 41.6774 13.8268 GPRESSURE: 2642600 72.0645 184.449 153.085 229.958 -3.71019 11.7948 109.714 19.9856 15.6995 PRESSAVG: 2642600 8.13463 -26.6405 41.8811 -26.6404 -10.9886 8.51376 41.8812 8.51373 -7.16507 GPRESSAVG: 2642600 9.67986 -27.4878 40.0711 -24.3567 -11.7635 9.98432 44.2861 7.86177 -8.12329 TIMING: 2642600 CPU: 8346.85, 0.00314366/step Wall: 8346.85, 0.00314366/step, 2.05857 hours remaining, 238.003906 MB of memory in use. ENERGY: 2642600 3929.8275 20337.7428 14462.1606 255.9288 -202982.6793 2376.5055 0.0000 0.0000 52113.2256 -109507.2885 299.4954 -161620.5141 -109136.6463 299.2340 -3.4937 28.0179 761441.5424 -3.3397 -3.4023 PRESSURE: 2642800 98.2513 -151.718 -175.804 -151.718 430.2 24.8259 -175.804 24.8268 112.013 GPRESSURE: 2642800 197.742 -154.469 -97.0658 -257.788 427.532 103.456 -181.623 -76.4121 98.9833 PRESSAVG: 2642800 27.8421 -27.2935 -12.8803 -27.2935 15.1538 -42.8125 -12.8804 -42.8125 11.3541 GPRESSAVG: 2642800 27.9214 -27.8003 -12.1341 -29.3575 14.3179 -41.3579 -12.7356 -45.4999 12.5792 TIMING: 2642800 CPU: 8347.48, 0.00314518/step Wall: 8347.48, 0.00314518/step, 2.05939 hours remaining, 238.003906 MB of memory in use. ENERGY: 2642800 3927.4606 20501.7541 14443.8842 247.1201 -203453.5580 2808.3584 0.0000 0.0000 51572.7137 -109952.2669 296.3891 -161524.9805 -109589.5703 298.6516 213.4881 241.4189 759042.4700 18.1167 18.2728 PRESSURE: 2643000 117.426 -141.551 -50.9079 -141.55 272.466 -292.406 -50.9085 -292.406 285.948 GPRESSURE: 2643000 153.642 -25.7187 -66.1231 4.81321 244.563 -223.457 -66.251 -287.142 354.353 PRESSAVG: 2643000 9.57289 -29.1373 -33.1594 -29.1374 44.3768 -3.77571 -33.1595 -3.77576 3.44051 GPRESSAVG: 2643000 8.48933 -28.7822 -33.3786 -31.0218 44.9068 -5.19785 -36.0006 0.146423 4.69954 TIMING: 2643000 CPU: 8348.11, 0.00313837/step Wall: 8348.11, 0.00313837/step, 2.05476 hours remaining, 238.003906 MB of memory in use. ENERGY: 2643000 3930.7248 20514.9614 14451.0192 247.9273 -203777.3684 2889.3905 0.0000 0.0000 51748.4775 -109994.8677 297.3992 -161743.3452 -109636.5065 297.9470 225.2801 250.8524 759281.6550 19.1301 19.3652 PRESSURE: 2643200 13.2021 -19.184 -44.0961 -19.1834 -95.179 131.515 -44.096 131.516 64.8201 GPRESSURE: 2643200 71.2203 -25.522 1.49031 54.9756 -35.079 58.9931 -55.4455 43.2873 22.0752 PRESSAVG: 2643200 -51.3057 1.56996 -46.3451 1.56996 32.8418 21.447 -46.3452 21.4469 10.5198 GPRESSAVG: 2643200 -50.402 1.07129 -45.6861 3.56221 32.715 20.7597 -44.3796 20.1977 10.1212 TIMING: 2643200 CPU: 8348.73, 0.00313458/step Wall: 8348.73, 0.00313458/step, 2.05211 hours remaining, 238.003906 MB of memory in use. ENERGY: 2643200 3977.2087 20560.7391 14475.8576 248.6560 -203838.3618 2594.1406 0.0000 0.0000 51859.6739 -110122.0858 298.0383 -161981.7597 -109752.7030 298.5316 -5.7189 19.4055 760465.2849 -2.6480 -2.5219 PRESSURE: 2643400 55.9984 18.6561 -69.0372 18.6555 204.942 -34.9056 -69.0376 -34.9063 -189.896 GPRESSURE: 2643400 84.9697 131.755 -83.9079 18.6876 210.907 -40.5116 -154.906 -113.398 -149.129 PRESSAVG: 2643400 -49.6749 -44.0803 -18.3229 -44.0803 38.8469 36.6735 -18.3229 36.6735 7.9105 GPRESSAVG: 2643400 -50.0221 -42.9486 -18.5469 -43.551 40.3687 36.4622 -20.3641 35.1169 6.61703 TIMING: 2643400 CPU: 8349.36, 0.00314427/step Wall: 8349.36, 0.00314427/step, 2.05827 hours remaining, 238.003906 MB of memory in use. ENERGY: 2643400 3932.1954 20363.6353 14540.7121 251.5398 -203719.1422 2596.4304 0.0000 0.0000 51867.5616 -110167.0677 298.0836 -162034.6292 -109791.0471 297.8670 23.6813 48.9158 760904.5290 -0.9725 -1.0121 PRESSURE: 2643600 -258.354 153.753 77.5239 153.753 269.021 -68.6033 77.5233 -68.6044 218.85 GPRESSURE: 2643600 -191.956 95.5019 13.3133 254.391 209.192 -74.8072 90.3024 43.4147 288.922 PRESSAVG: 2643600 -44.2637 -48.7563 36.1781 -48.7563 17.4571 23.7378 36.1782 23.7378 -21.5365 GPRESSAVG: 2643600 -43.9042 -48.099 36.0926 -48.6036 15.7645 23.9206 39.0462 26.3262 -19.6285 TIMING: 2643600 CPU: 8349.99, 0.0031413/step Wall: 8349.99, 0.0031413/step, 2.05616 hours remaining, 238.003906 MB of memory in use. ENERGY: 2643600 3878.4849 20412.8770 14429.1856 222.6473 -203707.9353 2645.2662 0.0000 0.0000 51998.4246 -110121.0497 298.8357 -162119.4743 -109758.3515 298.0274 76.5054 102.0528 760693.4143 -16.1144 -15.9227 PRESSURE: 2643800 -318.968 173.75 0.865867 173.75 -68.6554 58.1169 0.866152 58.1151 -541.722 GPRESSURE: 2643800 -156.716 191.738 -20.9566 47.366 -132.22 2.20112 36.4107 51.1743 -538.508 PRESSAVG: 2643800 -0.61369 -16.9804 -10.4683 -16.9803 26.7808 9.53875 -10.4683 9.53876 1.79395 GPRESSAVG: 2643800 -0.196137 -16.5711 -9.81919 -18.3608 27.1018 9.37084 -12.7735 9.75446 1.70484 TIMING: 2643800 CPU: 8350.62, 0.00315725/step Wall: 8350.62, 0.00315725/step, 2.06642 hours remaining, 238.003906 MB of memory in use. ENERGY: 2643800 3966.0513 20543.7323 14514.8501 245.5632 -203439.0692 2446.3378 0.0000 0.0000 51793.4750 -109929.0597 297.6578 -161722.5346 -109571.1188 298.1794 -309.7817 -275.8149 761303.7661 9.3204 9.5368 PRESSURE: 2644000 -176.432 77.8214 129.595 77.8209 -207.994 -127.988 129.595 -127.989 15.5989 GPRESSURE: 2644000 -136.001 -26.5895 203.334 129.815 -158.183 -155.385 -45.4078 -120.525 20.3762 PRESSAVG: 2644000 28.0038 -18.7977 -14.9289 -18.7977 -16.9702 -64.9867 -14.9289 -64.9868 5.60222 GPRESSAVG: 2644000 29.6586 -21.8304 -16.112 -16.7098 -17.5976 -64.7348 -13.8374 -66.4307 5.16694 TIMING: 2644000 CPU: 8351.26, 0.00315752/step Wall: 8351.26, 0.00315752/step, 2.06642 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: 2644000 4040.4872 20455.3108 14476.7165 247.3723 -203368.5007 2478.1472 0.0000 0.0000 51711.0677 -109959.3991 297.1842 -161670.4667 -109588.0985 298.2100 -122.9422 -91.2693 763209.3624 5.5453 5.7426 PRESSURE: 2644200 116.919 -84.283 -74.4991 -84.2824 119.772 168.747 -74.4984 168.747 -378.809 GPRESSURE: 2644200 170.689 -50.5735 -46.5779 -96.281 71.5835 206.794 -103.595 107.147 -316.145 PRESSAVG: 2644200 -29.1448 -18.8943 2.94508 -18.8944 -16.5522 18.3655 2.94502 18.3656 -3.90605 GPRESSAVG: 2644200 -30.2609 -15.7461 2.33921 -18.7182 -16.123 19.8168 3.56485 18.4368 -3.4393 TIMING: 2644200 CPU: 8351.89, 0.00316788/step Wall: 8351.89, 0.00316788/step, 2.07302 hours remaining, 238.003906 MB of memory in use. ENERGY: 2644200 4007.8515 20346.8790 14437.6634 249.9566 -203571.0811 2760.8442 0.0000 0.0000 52089.5226 -109678.3637 299.3592 -161767.8863 -109309.5754 298.5328 -47.3725 -24.6242 762687.2975 -16.5344 -16.6077 LDB: ============= START OF LOAD BALANCING ============== 8364.42 LDB: ============== END OF LOAD BALANCING =============== 8364.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8364.42 LDB: ============= START OF LOAD BALANCING ============== 8364.74 LDB: Largest compute 7072 load 0.030579 is 15.6% of average load 0.195559 LDB: Average compute 0.004399 is 2.2% of average load 0.195559 LDB: TIME 8364.74 LOAD: AVG 0.195559 MAX 0.215394 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.574 MB LDB: TIME 8364.74 LOAD: AVG 0.195559 MAX 0.215394 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.574 MB LDB: TIME 8364.74 LOAD: AVG 0.195559 MAX 0.215394 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.574 MB LDB: ============== END OF LOAD BALANCING =============== 8364.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8364.75 PRESSURE: 2644400 -5.00821 -111.431 249.359 -111.43 93.5271 6.98181 249.359 6.98268 -255.66 GPRESSURE: 2644400 -9.06295 -93.1749 260.321 -214.683 129.26 64.1131 207.489 -35.3108 -228.522 PRESSAVG: 2644400 -28.5168 -32.1698 -38.7515 -32.1698 -33.7689 40.2343 -38.7515 40.2343 1.12591 GPRESSAVG: 2644400 -28.2532 -33.1718 -38.1185 -33.2057 -33.9021 39.8695 -39.2961 40.2396 0.664383 TIMING: 2644400 CPU: 8352.53, 0.00322458/step Wall: 8352.53, 0.00322458/step, 2.10995 hours remaining, 236.691406 MB of memory in use. ENERGY: 2644400 3953.1488 20583.6285 14501.7380 259.9300 -203178.7214 2357.0061 0.0000 0.0000 52038.9635 -109484.3064 299.0686 -161523.2699 -109115.9573 298.9631 -55.7138 -36.1083 762663.3984 -20.3866 -20.4970 PRESSURE: 2644600 -146.265 172.397 -116.743 172.397 325.561 115.967 -116.743 115.968 432.034 GPRESSURE: 2644600 0.798344 133.692 -114.473 146.209 287.137 151.365 -50.3319 63.8861 428.65 PRESSAVG: 2644600 9.53165 -0.490532 21.8164 -0.490446 -6.75367 -12.1699 21.8164 -12.17 8.08252 GPRESSAVG: 2644600 9.0926 0.177524 23.4204 0.99076 -6.64765 -13.9005 20.9035 -11.5104 8.33445 TIMING: 2644600 CPU: 8353.17, 0.00316874/step Wall: 8353.17, 0.00316874/step, 2.07323 hours remaining, 237.152344 MB of memory in use. ENERGY: 2644600 3955.9905 20467.9826 14445.1705 247.3846 -203556.8789 2784.1785 0.0000 0.0000 52114.4792 -109541.6930 299.5026 -161656.1722 -109184.9697 298.8893 203.7766 238.8616 761911.5939 3.6202 3.5931 PRESSURE: 2644800 -10.0268 -208.428 216.711 -208.428 -75.6517 -241.222 216.711 -241.222 104.381 GPRESSURE: 2644800 61.2466 -141.596 182.356 -171.855 -72.538 -321.306 143.188 -141.12 108.767 PRESSAVG: 2644800 -23.6163 -11.612 -44.3008 -11.6119 -20.1815 -18.4233 -44.3008 -18.4233 3.2053 GPRESSAVG: 2644800 -24.4096 -12.2622 -44.7235 -12.8506 -19.923 -17.8534 -43.684 -18.6815 3.16436 TIMING: 2644800 CPU: 8353.8, 0.00314354/step Wall: 8353.8, 0.00314354/step, 2.05657 hours remaining, 237.152344 MB of memory in use. ENERGY: 2644800 3958.7437 20326.7811 14481.9920 243.2327 -202807.5736 2253.9204 0.0000 0.0000 51888.7959 -109654.1077 298.2056 -161542.9037 -109298.4912 298.7942 6.2341 32.4918 763636.5034 -13.5308 -13.7228 PRESSURE: 2645000 528.698 312.311 239.476 312.311 340.086 -159.518 239.475 -159.517 146.706 GPRESSURE: 2645000 580.589 313.423 156.218 177.928 328.215 -175.431 387.008 -230.036 188.462 PRESSAVG: 2645000 56.3093 0.438907 -7.2687 0.438875 -49.1291 -5.45295 -7.26866 -5.45288 -24.3252 GPRESSAVG: 2645000 56.6677 -0.278395 -8.97868 0.337702 -48.9762 -5.46904 -6.6717 -7.44638 -25.1425 TIMING: 2645000 CPU: 8354.42, 0.00313676/step Wall: 8354.42, 0.00313676/step, 2.05197 hours remaining, 237.152344 MB of memory in use. ENERGY: 2645000 3881.2998 20627.8902 14412.8197 264.7830 -203656.2362 3071.2645 0.0000 0.0000 52022.3278 -109375.8512 298.9730 -161398.1789 -109029.7842 298.9062 338.4968 365.7554 761240.1872 -5.7150 -5.8170 PRESSURE: 2645200 -191.028 -185.006 145.957 -185.006 -212.455 -85.97 145.957 -85.9705 -280.494 GPRESSURE: 2645200 -148.436 -185.811 185.634 -228.868 -128.803 -124.321 162.261 85.8974 -304.492 PRESSAVG: 2645200 33.4404 -34.296 -13.8766 -34.2959 -30.9851 -42.6539 -13.8766 -42.6538 15.8977 GPRESSAVG: 2645200 32.2843 -34.157 -12.5147 -34.0359 -30.3591 -43.3969 -13.3079 -41.7874 16.4833 TIMING: 2645200 CPU: 8355.05, 0.00312905/step Wall: 8355.05, 0.00312905/step, 2.04674 hours remaining, 237.152344 MB of memory in use. ENERGY: 2645200 3958.0412 20488.3100 14381.3043 237.2788 -203045.4286 2453.4294 0.0000 0.0000 52184.8386 -109342.2263 299.9070 -161527.0649 -108971.1100 299.1889 -227.9923 -193.9105 763200.7268 6.1176 6.1362 PRESSURE: 2645400 -140.143 215.947 -45.4355 215.946 -201.736 -369.414 -45.4365 -369.415 -374.674 GPRESSURE: 2645400 -52.1221 95.4608 -34.0657 282.324 -207.962 -273.605 182.672 -224.212 -368.234 PRESSAVG: 2645400 19.747 -58.1733 -25.9104 -58.1733 -18.3924 -33.2756 -25.9103 -33.2756 15.8911 GPRESSAVG: 2645400 21.1254 -58.262 -26.9689 -58.9207 -19.2225 -31.4698 -26.3206 -32.6475 15.2384 TIMING: 2645400 CPU: 8355.67, 0.00312735/step Wall: 8355.67, 0.00312735/step, 2.04546 hours remaining, 237.152344 MB of memory in use. ENERGY: 2645400 3944.1756 20579.1198 14416.4452 234.3835 -203224.5826 2375.2456 0.0000 0.0000 52187.9217 -109487.2911 299.9247 -161675.2128 -109117.1556 299.2915 -238.8508 -209.4393 763076.0856 5.7486 5.7138 PRESSURE: 2645600 150.13 -225.278 -121.816 -225.278 238.191 1.48406 -121.817 1.48454 107.274 GPRESSURE: 2645600 225.233 -196.636 -106.32 -196.137 194.833 -12.451 -15.4181 -1.86456 141.723 PRESSAVG: 2645600 -3.80872 -47.0485 -21.0605 -47.0485 -6.11963 -2.43695 -21.0605 -2.43691 -7.80788 GPRESSAVG: 2645600 -4.99507 -45.4408 -22.4177 -46.8191 -5.8626 -4.2624 -21.5906 -2.12893 -7.49134 TIMING: 2645600 CPU: 8356.3, 0.00313376/step Wall: 8356.3, 0.00313376/step, 2.04948 hours remaining, 237.152344 MB of memory in use. ENERGY: 2645600 4062.2187 20513.6289 14485.8677 263.2602 -203424.7151 2649.0503 0.0000 0.0000 51806.9545 -109643.7349 297.7353 -161450.6894 -109288.8042 298.6439 165.1983 187.2629 762751.4069 -5.9121 -6.1163 PRESSURE: 2645800 348.168 58.0223 -61.7891 58.0232 240.409 -162.483 -61.7898 -162.482 534.917 GPRESSURE: 2645800 252.352 -61.013 -103.332 -26.947 309.43 -138.182 -84.1234 -95.972 632.098 PRESSAVG: 2645800 35.5328 0.465079 -41.3551 0.465084 -19.961 -85.2044 -41.3551 -85.2045 4.966 GPRESSAVG: 2645800 34.6129 0.0989986 -40.2888 0.398003 -19.7882 -86.5147 -43.371 -85.5651 5.88738 TIMING: 2645800 CPU: 8356.92, 0.00311543/step Wall: 8356.92, 0.00311543/step, 2.03732 hours remaining, 237.152344 MB of memory in use. ENERGY: 2645800 4024.1737 20501.0603 14402.9131 247.7928 -203685.7162 2910.0493 0.0000 0.0000 51917.9330 -109681.7942 298.3731 -161599.7271 -109321.9210 298.8720 374.4982 397.9603 761832.6187 6.8459 6.9040 PRESSURE: 2646000 -96.8397 -89.8042 -72.715 -89.8048 -96.0097 -18.4281 -72.715 -18.4288 -51.6567 GPRESSURE: 2646000 -31.2334 -74.918 43.3204 -3.9366 -31.7403 -80.0481 -182.458 -31.3398 -75.5057 PRESSAVG: 2646000 5.69487 -44.1152 16.3785 -44.1152 -16.2989 -9.62779 16.3785 -9.62784 -20.8346 GPRESSAVG: 2646000 6.20729 -44.6011 15.8731 -41.5946 -16.3499 -7.29764 17.4724 -10.1173 -21.4536 TIMING: 2646000 CPU: 8357.55, 0.0031442/step Wall: 8357.55, 0.0031442/step, 2.05596 hours remaining, 237.152344 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: 2646000 3961.7007 20538.9323 14460.8965 244.4308 -203199.9627 2225.6582 0.0000 0.0000 52048.7187 -109719.6256 299.1247 -161768.3442 -109357.1206 298.5193 -81.5020 -46.1598 761141.7538 -10.4795 -10.5320 PRESSURE: 2646200 39.0934 -176.472 -67.6227 -176.472 233.734 61.0306 -67.6229 61.0306 -284.771 GPRESSURE: 2646200 75.6148 -211.222 -82.6604 -64.1062 227.329 51.1136 0.0522413 3.85947 -220.625 PRESSAVG: 2646200 -3.58281 -92.8967 -24.1106 -92.8966 12.7738 -32.4472 -24.1105 -32.4472 -9.7195 GPRESSAVG: 2646200 -3.22045 -93.2388 -22.1152 -92.9246 11.9766 -32.7301 -23.6178 -33.8763 -9.59194 TIMING: 2646200 CPU: 8358.18, 0.00313048/step Wall: 8358.18, 0.00313048/step, 2.04681 hours remaining, 237.152344 MB of memory in use. ENERGY: 2646200 3950.4145 20440.8876 14497.5193 234.0972 -203588.5013 2857.7313 0.0000 0.0000 52109.5986 -109498.2528 299.4746 -161607.8513 -109131.8002 298.7350 -3.9813 27.4399 762318.6141 -0.1762 -0.2786 PRESSURE: 2646400 97.2128 -177.953 39.2331 -177.953 -105.993 76.3679 39.233 76.3682 173.211 GPRESSURE: 2646400 158.766 -112.161 6.41872 -219.258 -103.646 181.634 74.3862 58.9899 199.548 PRESSAVG: 2646400 -27.6556 -64.459 4.8509 -64.4589 89.401 -7.20911 4.85086 -7.20908 -11.3255 GPRESSAVG: 2646400 -28.5803 -64.5651 4.76182 -65.6868 90.0591 -6.73877 3.69264 -6.19153 -11.1113 TIMING: 2646400 CPU: 8358.81, 0.00313418/step Wall: 8358.81, 0.00313418/step, 2.04906 hours remaining, 237.152344 MB of memory in use. ENERGY: 2646400 3953.9430 20579.2256 14424.5300 240.7391 -203208.9656 2540.6657 0.0000 0.0000 51921.3618 -109548.5005 298.3928 -161469.8623 -109189.0906 298.7821 54.8105 84.8892 761770.8268 16.8066 16.7892 PRESSURE: 2646600 -100.013 -178.295 -185.839 -178.294 -52.8335 205.486 -185.839 205.486 68.9429 GPRESSURE: 2646600 -61.2157 -111.778 -248.508 -187.948 -77.5014 138.027 -121.054 190.681 141.55 PRESSAVG: 2646600 -8.02299 -58.6601 -42.1003 -58.6601 28.9835 46.5322 -42.1004 46.5322 24.4294 GPRESSAVG: 2646600 -7.30271 -59.0088 -44.7553 -58.9524 28.1467 45.796 -40.2606 46.3119 24.749 TIMING: 2646600 CPU: 8359.43, 0.00312753/step Wall: 8359.43, 0.00312753/step, 2.04454 hours remaining, 237.152344 MB of memory in use. ENERGY: 2646600 3998.7310 20529.4272 14508.0171 238.5986 -203400.6989 2487.5294 0.0000 0.0000 52141.5011 -109496.8945 299.6579 -161638.3955 -109138.5710 299.2048 -27.9677 0.9443 760588.1376 15.1300 15.1976 PRESSURE: 2646800 -207.033 -134.2 -154.321 -134.2 -171.841 17.4186 -154.321 17.4197 -92.9812 GPRESSURE: 2646800 -135.125 -80.427 -84.8613 -114.99 -206.604 -36.5807 -69.4344 113.39 -41.396 PRESSAVG: 2646800 13.2236 -41.5135 -3.55905 -41.5135 -13.1738 -56.7562 -3.55907 -56.7562 -17.2411 GPRESSAVG: 2646800 12.8265 -41.4374 -2.75798 -41.2836 -12.0498 -56.4743 -5.03639 -55.2122 -18.413 TIMING: 2646800 CPU: 8360.06, 0.00314496/step Wall: 8360.06, 0.00314496/step, 2.05575 hours remaining, 237.152344 MB of memory in use. ENERGY: 2646800 3970.6672 20718.9064 14482.9789 255.2380 -203682.2585 2632.9227 0.0000 0.0000 52069.2630 -109552.2825 299.2428 -161621.5455 -109192.2933 299.6278 -157.2853 -127.7081 761437.2090 -5.7304 -5.8788 PRESSURE: 2647000 -42.4369 -31.6954 126.524 -31.6952 232.568 -217.691 126.525 -217.692 -361.003 GPRESSURE: 2647000 33.8819 5.03884 167.906 -89.3788 275.302 -247.338 122.321 -123.844 -372.195 PRESSAVG: 2647000 -14.0415 -25.6521 -25.2169 -25.652 27.7625 -15.0285 -25.2169 -15.0285 8.20393 GPRESSAVG: 2647000 -12.847 -26.3292 -25.2179 -25.9503 26.7229 -14.8473 -25.5517 -16.9489 8.22707 TIMING: 2647000 CPU: 8360.69, 0.00316024/step Wall: 8360.69, 0.00316024/step, 2.06557 hours remaining, 237.152344 MB of memory in use. ENERGY: 2647000 3981.5520 20653.3665 14430.2938 257.9553 -203583.4071 2822.9147 0.0000 0.0000 52064.8435 -109372.4811 299.2174 -161437.3247 -109009.1711 298.9924 -56.9573 -21.0036 761995.1471 7.3083 7.3677 PRESSURE: 2647200 350.788 -237.75 27.4679 -237.749 -50.6912 -29.5551 27.4683 -29.5549 423.628 GPRESSURE: 2647200 396.282 -228.889 1.49214 -227.074 25.6983 -43.7105 41.4073 60.8864 404.171 PRESSAVG: 2647200 46.0047 52.9699 34.2338 52.97 22.6102 1.30227 34.2338 1.30229 2.73889 GPRESSAVG: 2647200 45.8137 55.0261 34.5641 53.3521 23.3087 0.760288 35.5772 2.86809 2.02403 TIMING: 2647200 CPU: 8361.32, 0.00315336/step Wall: 8361.32, 0.00315336/step, 2.0609 hours remaining, 237.152344 MB of memory in use. ENERGY: 2647200 3882.9231 20670.0860 14432.4571 239.2993 -203452.0191 2634.0119 0.0000 0.0000 52099.3242 -109493.9174 299.4155 -161593.2416 -109127.0182 299.8343 241.2415 275.3840 759528.0789 23.7846 23.7155 PRESSURE: 2647400 180.538 79.02 -116.018 79.0197 -310.703 -48.0947 -116.017 -48.0954 -80.7314 GPRESSURE: 2647400 139.779 109.266 -114.691 86.3958 -196.274 -72.2225 -53.9251 8.23005 -61.6695 PRESSAVG: 2647400 2.14176 3.91946 19.4282 3.91941 -13.3384 -2.42088 19.4282 -2.42089 -15.9164 GPRESSAVG: 2647400 2.57974 2.02293 18.5819 5.79722 -13.2589 -4.33067 18.5204 -1.86122 -16.7333 TIMING: 2647400 CPU: 8361.96, 0.00316976/step Wall: 8361.96, 0.00316976/step, 2.07144 hours remaining, 237.152344 MB of memory in use. ENERGY: 2647400 4008.8801 20565.5804 14541.6313 273.1317 -203355.3588 2436.5850 0.0000 0.0000 52164.8691 -109364.6812 299.7922 -161529.5502 -108995.6772 299.6767 -70.2990 -39.3881 761694.2922 -9.0377 -9.1375 PRESSURE: 2647600 -6.10935 -229.02 -245.031 -229.02 -237.252 142.619 -245.032 142.618 168.027 GPRESSURE: 2647600 97.0007 -194.98 -301.537 -108.919 -213.182 172.492 -257.21 128.59 132.29 PRESSAVG: 2647600 54.36 -6.49299 -81.2732 -6.49305 -27.0443 -51.7227 -81.2732 -51.7228 -4.7138 GPRESSAVG: 2647600 53.4525 -4.65927 -80.663 -7.37049 -26.8226 -50.3911 -83.2829 -54.1122 -4.68174 TIMING: 2647600 CPU: 8362.58, 0.00313094/step Wall: 8362.58, 0.00313094/step, 2.0459 hours remaining, 237.152344 MB of memory in use. ENERGY: 2647600 3928.3504 20657.9227 14436.4979 246.3712 -203829.5179 2969.8066 0.0000 0.0000 52245.8743 -109344.6948 300.2578 -161590.5691 -108984.6865 299.3413 -25.1113 5.3697 763108.2412 7.5340 7.3161 PRESSURE: 2647800 -528.739 153.225 -66.5086 153.225 -176.858 -113.282 -66.5077 -113.282 -88.3222 GPRESSURE: 2647800 -384.415 74.75 1.41264 87.0967 -204.111 -124.016 95.9245 -3.67313 -111.235 PRESSAVG: 2647800 -22.7475 -35.1705 -62.5093 -35.1704 -2.6696 26.7026 -62.5093 26.7026 3.70261 GPRESSAVG: 2647800 -23.1643 -36.1759 -62.6216 -35.0758 -3.64588 27.4956 -61.0209 26.9371 4.67501 TIMING: 2647800 CPU: 8363.21, 0.00314035/step Wall: 8363.21, 0.00314035/step, 2.05187 hours remaining, 237.152344 MB of memory in use. ENERGY: 2647800 4062.6305 20510.2657 14493.7705 248.0784 -203266.4750 2540.5280 0.0000 0.0000 52143.5468 -109267.6550 299.6697 -161411.2018 -108897.6148 298.9078 -264.6398 -233.2537 763049.8970 -7.2382 -7.3784 PRESSURE: 2648000 -35.007 -42.1517 170.563 -42.1515 258.942 -85.3443 170.562 -85.3443 -120.751 GPRESSURE: 2648000 6.4801 -66.3328 188.049 -91.9448 353.956 -35.3745 247.811 -23.5928 -176.699 PRESSAVG: 2648000 -31.8362 -53.3561 32.0786 -53.3561 39.3199 -68.4614 32.0786 -68.4613 -9.2525 GPRESSAVG: 2648000 -31.2657 -51.7284 33.9528 -54.4307 39.6797 -68.1928 32.6552 -67.2323 -10.8331 TIMING: 2648000 CPU: 8363.84, 0.0031288/step Wall: 8363.84, 0.0031288/step, 2.04415 hours remaining, 237.152344 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: 2648000 3934.5979 20750.6740 14531.2965 235.7205 -203423.9743 2736.2973 0.0000 0.0000 52061.8726 -109173.5156 299.2003 -161235.3883 -108818.4501 299.2740 34.3947 61.2455 762634.0101 -0.5896 -0.8064 PRESSURE: 2648200 -35.5808 -97.7871 12.7702 -97.7875 26.0988 61.011 12.7708 61.0109 -320.21 GPRESSURE: 2648200 -20.3162 -140.85 58.6375 -122.317 11.0355 88.6064 12.6107 58.7612 -255.416 PRESSAVG: 2648200 -33.0493 -83.4551 57.0205 -83.4551 4.84608 -22.5211 57.0205 -22.521 -27.7098 GPRESSAVG: 2648200 -33.9983 -85.1708 57.2761 -83.639 3.14736 -23.7187 55.8104 -19.6248 -25.5132 TIMING: 2648200 CPU: 8364.46, 0.00312434/step Wall: 8364.46, 0.00312434/step, 2.04106 hours remaining, 237.152344 MB of memory in use. ENERGY: 2648200 4005.9037 20624.9750 14454.1157 246.6966 -203298.7261 2694.4274 0.0000 0.0000 52163.2108 -109109.3969 299.7827 -161272.6077 -108754.8691 299.4240 -109.8973 -88.2323 762024.4112 -18.6377 -18.7881 LDB: ============= START OF LOAD BALANCING ============== 8376.99 LDB: ============== END OF LOAD BALANCING =============== 8376.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8376.99 LDB: ============= START OF LOAD BALANCING ============== 8377.31 LDB: Largest compute 7077 load 0.032914 is 16.8% of average load 0.195434 LDB: Average compute 0.004391 is 2.2% of average load 0.195434 LDB: TIME 8377.31 LOAD: AVG 0.195434 MAX 0.212611 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 8377.31 LOAD: AVG 0.195434 MAX 0.212611 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 8377.31 LOAD: AVG 0.195434 MAX 0.212611 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 8377.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8377.32 PRESSURE: 2648400 189.244 58.1141 -4.91908 58.1143 128.696 84.8344 -4.91975 84.8346 122.581 GPRESSURE: 2648400 239.17 85.1394 71.1822 43.6926 179.533 84.81 -5.69897 -43.7438 108.802 PRESSAVG: 2648400 -43.6572 -6.29181 -53.7302 -6.29184 15.7773 -26.1461 -53.7303 -26.1461 21.8386 GPRESSAVG: 2648400 -44.5303 -5.20287 -56.6288 -4.95941 18.3103 -24.6075 -51.8844 -31.0832 20.7869 TIMING: 2648400 CPU: 8365.1, 0.00320736/step Wall: 8365.1, 0.00320736/step, 2.09512 hours remaining, 235.898438 MB of memory in use. ENERGY: 2648400 3922.4795 20628.6014 14467.9050 248.7093 -203238.7039 2780.6793 0.0000 0.0000 52115.2303 -109075.0992 299.5069 -161190.3295 -108716.6007 299.4714 146.8402 175.8349 762808.4044 -2.0138 -1.8111 PRESSURE: 2648600 -88.8776 -159.443 259.351 -159.443 -84.983 -65.9366 259.351 -65.9361 -479.817 GPRESSURE: 2648600 -45.583 -145.175 225.811 -147.848 -65.5257 -116.73 76.5114 -14.6542 -462.327 PRESSAVG: 2648600 29.0629 -22.471 -49.2892 -22.471 -17.2138 -33.8443 -49.2891 -33.8444 9.93309 GPRESSAVG: 2648600 29.9194 -23.516 -47.9239 -21.7071 -18.2944 -34.315 -49.8479 -33.3462 9.7219 TIMING: 2648600 CPU: 8365.74, 0.00317415/step Wall: 8365.74, 0.00317415/step, 2.07325 hours remaining, 235.898438 MB of memory in use. ENERGY: 2648600 3991.2631 20391.8842 14482.5359 259.3194 -203155.6205 2728.0031 0.0000 0.0000 52160.6429 -109141.9720 299.7679 -161302.6149 -108771.8092 299.8074 -217.8924 -191.1454 761358.5708 7.2607 7.1156 PRESSURE: 2648800 30.9513 -34.6762 -18.1115 -34.6758 -310.729 -36.6049 -18.1106 -36.6052 -377.811 GPRESSURE: 2648800 111.662 17.9135 -29.421 47.6904 -300.579 5.46099 52.1482 37.0079 -388.714 PRESSAVG: 2648800 3.96308 10.2924 -1.10192 10.2925 -12.0925 9.33399 -1.10186 9.33389 7.28733 GPRESSAVG: 2648800 4.22112 10.0784 -1.21875 9.40018 -13.1186 8.51573 -2.1353 11.6604 7.29918 TIMING: 2648800 CPU: 8366.37, 0.00314278/step Wall: 8366.37, 0.00314278/step, 2.05258 hours remaining, 235.898438 MB of memory in use. ENERGY: 2648800 3990.3647 20605.1023 14437.0337 235.1517 -202931.0962 2307.3386 0.0000 0.0000 52219.1839 -109136.9211 300.1044 -161356.1051 -108767.8772 299.7639 -219.1963 -192.5437 761768.2447 -0.2807 -0.5328 PRESSURE: 2649000 -246.954 -371.56 -69.1508 -371.56 -191.172 131.73 -69.15 131.73 -220.983 GPRESSURE: 2649000 -179.161 -342.075 -76.8451 -291.481 -155.914 197.212 9.42066 211.175 -235.596 PRESSAVG: 2649000 47.9177 -67.3238 -46.6608 -67.3238 -55.5752 2.76823 -46.6608 2.76827 -8.52692 GPRESSAVG: 2649000 47.6476 -66.3493 -45.7844 -66.7777 -54.3084 3.33289 -44.4404 3.07124 -8.83064 TIMING: 2649000 CPU: 8367, 0.00315582/step Wall: 8367, 0.00315582/step, 2.06092 hours remaining, 235.898438 MB of memory in use. ENERGY: 2649000 4038.3960 20721.6108 14452.7946 239.0359 -202886.0245 2314.1288 0.0000 0.0000 51963.8429 -109156.2155 298.6369 -161120.0584 -108794.5501 299.4722 -219.7030 -190.2234 761230.2086 -5.3948 -5.1638 PRESSURE: 2649200 182.341 19.656 -119.231 19.6552 19.7868 70.5445 -119.231 70.5454 -488.941 GPRESSURE: 2649200 248.613 25.2579 -103.845 -51.9391 42.1676 108.455 -4.5357 100.512 -471.745 PRESSAVG: 2649200 15.9762 -81.4127 15.581 -81.4127 13.5288 0.738291 15.581 0.738308 -0.789765 GPRESSAVG: 2649200 16.4499 -80.5594 15.6585 -82.1435 13.8402 -0.687255 13.914 -0.35559 -1.31769 TIMING: 2649200 CPU: 8367.63, 0.00316747/step Wall: 8367.63, 0.00316747/step, 2.06835 hours remaining, 235.898438 MB of memory in use. ENERGY: 2649200 3874.2292 20548.3175 14408.1805 267.9609 -202588.0485 1965.6498 0.0000 0.0000 52350.4734 -109173.2371 300.8589 -161523.7105 -108801.4440 299.5654 -95.6045 -60.3213 760532.5974 9.5717 9.6575 PRESSURE: 2649400 -21.5613 42.4416 18.6879 42.4416 -528.677 52.4919 18.6891 52.4921 -129.432 GPRESSURE: 2649400 -21.7391 107.329 -104.63 87.8228 -521.205 -3.34972 115.882 -56.01 -70.4976 PRESSAVG: 2649400 26.7767 -59.0716 26.4146 -59.0716 -11.6857 1.05286 26.4146 1.05287 -7.44928 GPRESSAVG: 2649400 26.444 -58.5618 25.8228 -57.6394 -12.0965 0.541485 27.9741 1.41594 -6.38445 TIMING: 2649400 CPU: 8368.26, 0.00315683/step Wall: 8368.26, 0.00315683/step, 2.06124 hours remaining, 235.898438 MB of memory in use. ENERGY: 2649400 4057.1704 20618.8328 14476.6702 256.5267 -203300.6800 2531.0508 0.0000 0.0000 52292.8904 -109067.5387 300.5280 -161360.4291 -108702.2472 299.9087 -226.5567 -204.4805 760245.9413 2.5472 2.6543 PRESSURE: 2649600 -299.967 90.2097 -84.6572 90.2103 -520.589 -46.5665 -84.6572 -46.5663 -197.469 GPRESSURE: 2649600 -292.735 130.993 -60.8168 20.4605 -399.361 -32.0272 -63.2507 -106.453 -238.666 PRESSAVG: 2649600 64.4288 15.1407 55.4013 15.1406 -47.7868 -2.59203 55.4012 -2.59196 0.478855 GPRESSAVG: 2649600 64.7262 14.2989 53.3131 14.1182 -47.7175 -0.868982 55.4797 -3.88259 0.0443357 TIMING: 2649600 CPU: 8368.89, 0.00315612/step Wall: 8368.89, 0.00315612/step, 2.0606 hours remaining, 235.898438 MB of memory in use. ENERGY: 2649600 4003.8104 20554.3389 14444.7164 255.0458 -202560.5216 2264.6522 0.0000 0.0000 51981.0361 -109056.9218 298.7357 -161037.9578 -108690.3439 300.0383 -339.3418 -310.2540 764058.8320 5.7070 5.6843 PRESSURE: 2649800 221.054 249.899 46.5015 249.899 181.847 57.5232 46.5022 57.522 386.258 GPRESSURE: 2649800 239.866 183.089 109.743 141.347 244.212 69.1411 80.2551 -9.52002 379.96 PRESSAVG: 2649800 64.0697 -29.5106 41.87 -29.5106 -32.5679 7.92165 41.8699 7.92163 7.42153 GPRESSAVG: 2649800 64.179 -30.5675 43.726 -31.8329 -32.8757 7.35306 41.9735 9.0242 7.71691 TIMING: 2649800 CPU: 8369.52, 0.00313626/step Wall: 8369.52, 0.00313626/step, 2.04746 hours remaining, 235.898438 MB of memory in use. ENERGY: 2649800 4000.6352 20673.8326 14474.5437 255.1436 -203384.3495 2763.7377 0.0000 0.0000 52114.2152 -109102.2415 299.5011 -161216.4567 -108747.7485 299.4483 263.0532 288.0127 761575.1120 12.9744 13.0067 PRESSURE: 2650000 391.4 -35.2781 -288.509 -35.2769 305.262 -17.7578 -288.509 -17.7566 -164.908 GPRESSURE: 2650000 448.072 -9.64653 -314.596 -19.4442 321.358 -34.7079 -289.373 -57.3609 -151.124 PRESSAVG: 2650000 37.4203 -13.3728 -67.8776 -13.3729 -66.3128 -14.1226 -67.8775 -14.1226 -13.0296 GPRESSAVG: 2650000 37.0312 -12.4048 -69.4754 -11.5414 -66.5171 -15.2262 -67.1927 -14.2818 -12.7374 TIMING: 2650000 CPU: 8370.15, 0.00315575/step Wall: 8370.15, 0.00315576/step, 2.06001 hours remaining, 235.898438 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: 2650000 3936.6494 20419.6859 14389.4287 241.5489 -202930.5922 2617.1909 0.0000 0.0000 52103.7930 -109222.2953 299.4412 -161326.0883 -108848.5599 299.3444 177.2516 206.1021 763095.7684 -13.9740 -14.0744 PRESSURE: 2650200 218.343 -183.317 236.824 -183.317 -36.7652 -148.854 236.824 -148.853 372.856 GPRESSURE: 2650200 133.336 -195.241 180.848 -136.905 28.1822 -56.724 23.3456 -214.712 441.335 PRESSAVG: 2650200 -5.65947 -21.8116 23.543 -21.8117 -3.12759 -18.3755 23.543 -18.3755 3.0134 GPRESSAVG: 2650200 -4.52371 -23.0071 24.6565 -23.1727 -2.74647 -15.5188 22.8811 -20.9453 1.28875 TIMING: 2650200 CPU: 8370.78, 0.00315683/step Wall: 8370.78, 0.00315683/step, 2.06054 hours remaining, 235.898438 MB of memory in use. ENERGY: 2650200 3992.2985 20457.0476 14445.2949 263.0641 -203610.6913 2803.9569 0.0000 0.0000 52224.3921 -109424.6373 300.1343 -161649.0294 -109073.0996 298.6532 184.8113 200.9512 759949.9811 -1.9246 -1.9938 PRESSURE: 2650400 100.584 -185.751 -211.942 -185.751 -276.553 67.4771 -211.942 67.4763 -204.575 GPRESSURE: 2650400 70.2848 -149.733 -165.49 -103.986 -209.538 49.237 -64.3579 32.3053 -175.721 PRESSAVG: 2650400 25.3859 -22.7693 -11.6743 -22.7693 -2.5677 -75.3787 -11.6743 -75.3786 9.54242 GPRESSAVG: 2650400 24.2952 -22.1103 -11.8799 -21.1453 -3.32721 -76.6466 -10.7996 -71.7317 10.8655 TIMING: 2650400 CPU: 8371.41, 0.00314832/step Wall: 8371.41, 0.00314832/step, 2.0548 hours remaining, 235.898438 MB of memory in use. ENERGY: 2650400 4005.5175 20559.4839 14463.6446 261.3866 -203450.2188 2734.2028 0.0000 0.0000 52069.5192 -109356.4643 299.2442 -161425.9835 -109003.6551 298.9065 -126.8477 -104.9913 759971.6801 10.7869 10.6112 PRESSURE: 2650600 92.9949 -288.702 -51.0645 -288.702 -188.436 62.0311 -51.0637 62.0308 -276.419 GPRESSURE: 2650600 78.962 -301.182 -43.6064 -258.523 -159.71 58.0893 -87.7751 97.7896 -202.65 PRESSAVG: 2650600 32.9687 -20.118 18.8742 -20.118 -17.7533 -13.9471 18.8741 -13.947 -10.6559 GPRESSAVG: 2650600 33.8663 -20.1666 20.4444 -19.7069 -17.1698 -14.259 18.9812 -16.5233 -11.5735 TIMING: 2650600 CPU: 8372.04, 0.00314635/step Wall: 8372.04, 0.00314635/step, 2.05334 hours remaining, 235.898438 MB of memory in use. ENERGY: 2650600 4061.2947 20623.3807 14427.2206 241.5999 -203445.7873 2593.3970 0.0000 0.0000 52109.4365 -109389.4580 299.4736 -161498.8945 -109026.6573 299.3869 -123.9534 -94.4659 759490.8408 1.5198 1.7077 PRESSURE: 2650800 -57.8261 -112.615 -28.0905 -112.615 -108.352 130.838 -28.0908 130.838 121.302 GPRESSURE: 2650800 -7.86137 -226.483 -125.281 -46.2419 -79.3864 17.2846 33.5475 111.419 112.748 PRESSAVG: 2650800 21.2501 -64.3695 -39.6268 -64.3695 -26.9317 -15.7786 -39.6268 -15.7785 1.67307 GPRESSAVG: 2650800 20.2747 -64.2204 -40.0474 -65.9865 -25.5355 -15.6974 -41.5938 -13.0313 1.73783 TIMING: 2650800 CPU: 8372.67, 0.00314753/step Wall: 8372.67, 0.00314753/step, 2.05394 hours remaining, 235.898438 MB of memory in use. ENERGY: 2650800 3961.6117 20678.5051 14442.8442 251.3943 -203116.6592 2544.0792 0.0000 0.0000 51836.5294 -109401.6954 297.9052 -161238.2248 -109036.7938 298.8992 -14.9587 8.5000 761698.5440 -1.3362 -1.1743 PRESSURE: 2651000 -138.597 -116.898 -135.71 -116.898 17.7375 -5.68784 -135.71 -5.68731 293.456 GPRESSURE: 2651000 -49.4168 -67.3686 -160.023 -56.02 -25.0702 62.987 -144.555 -142.299 319.758 PRESSAVG: 2651000 -0.145707 -20.727 20.6004 -20.727 -22.8819 -12.2648 20.6004 -12.2648 15.3127 GPRESSAVG: 2651000 1.48242 -19.5112 20.1129 -20.5297 -24.8859 -12.5626 23.8172 -14.3087 15.7182 TIMING: 2651000 CPU: 8373.3, 0.00313186/step Wall: 8373.3, 0.00313186/step, 2.04354 hours remaining, 235.898438 MB of memory in use. ENERGY: 2651000 3930.3777 20618.8368 14416.1588 263.2349 -203324.5950 2365.6557 0.0000 0.0000 52241.2678 -109489.0633 300.2313 -161730.3311 -109114.1053 299.0956 57.5321 81.7571 760197.4299 -2.5716 -2.5618 PRESSURE: 2651200 -34.4189 11.0356 103.97 11.0362 -240.367 2.30712 103.97 2.30679 -194.434 GPRESSURE: 2651200 24.2732 60.6407 113.386 22.1778 -259.162 18.5201 55.6126 17.0703 -158.533 PRESSAVG: 2651200 4.5856 -44.4828 37.9227 -44.4828 10.1728 -27.7251 37.9227 -27.7251 -8.44487 GPRESSAVG: 2651200 3.61452 -45.8756 38.4648 -43.1283 10.1554 -27.8155 32.6936 -28.1205 -7.96793 TIMING: 2651200 CPU: 8373.93, 0.0031438/step Wall: 8373.93, 0.0031438/step, 2.05115 hours remaining, 235.898438 MB of memory in use. ENERGY: 2651200 3968.0811 20534.7325 14498.4088 235.4254 -203267.3325 2496.6535 0.0000 0.0000 51954.9431 -109579.0882 298.5858 -161534.0313 -109226.0367 298.5089 -156.4065 -131.1408 761658.1879 2.1045 1.9340 PRESSURE: 2651400 154.779 -144.72 -90.6081 -144.719 248.313 -235.124 -90.6076 -235.125 35.3213 GPRESSURE: 2651400 251.075 -138.389 -41.0333 -108.066 247.565 -255.438 -131.714 -160.915 31.9905 PRESSAVG: 2651400 -21.2858 -29.5248 -23.2967 -29.5248 -1.17056 -37.8737 -23.2967 -37.8737 -4.55508 GPRESSAVG: 2651400 -19.9154 -30.8405 -23.7556 -29.1026 -0.627188 -37.7399 -21.0023 -36.0198 -5.67604 TIMING: 2651400 CPU: 8374.56, 0.00313957/step Wall: 8374.56, 0.00313957/step, 2.04822 hours remaining, 235.898438 MB of memory in use. ENERGY: 2651400 3930.0758 20528.6556 14520.5275 252.4377 -203821.9929 3008.5311 0.0000 0.0000 51767.9502 -109813.8149 297.5111 -161581.7651 -109458.0087 298.1217 146.1378 176.8766 761939.4342 -9.0038 -8.7396 PRESSURE: 2651600 104.354 97.4469 -98.8783 97.4469 -129.039 -272.371 -98.8776 -272.37 204.304 GPRESSURE: 2651600 181.671 47.6288 -75.8341 44.4158 -114.272 -264.415 -31.5999 -370.995 189.647 PRESSAVG: 2651600 12.0963 8.63448 -40.5918 8.63452 -9.94812 -37.0049 -40.5917 -37.0049 -9.2466 GPRESSAVG: 2651600 10.1332 7.96081 -41.0709 7.19123 -10.0275 -36.6739 -39.5358 -37.8174 -7.93709 TIMING: 2651600 CPU: 8375.18, 0.00313836/step Wall: 8375.18, 0.00313836/step, 2.04726 hours remaining, 235.898438 MB of memory in use. ENERGY: 2651600 3981.0114 20451.2579 14480.6084 244.0433 -203526.2238 2635.8638 0.0000 0.0000 51810.5001 -109922.9389 297.7557 -161733.4390 -109558.8142 298.0522 59.8730 85.6817 760047.5873 -2.3661 -2.6105 PRESSURE: 2651800 -317.211 -181.678 181.5 -181.678 -103.23 -10.8414 181.501 -10.8408 62.7517 GPRESSURE: 2651800 -262.703 -244.922 222.794 -191.059 -75.7531 39.9889 148.499 79.7261 60.4464 PRESSAVG: 2651800 7.01176 -5.70028 51.1709 -5.70027 21.3955 -6.90394 51.1709 -6.90396 12.9093 GPRESSAVG: 2651800 7.75873 -4.1982 52.241 -4.37899 21.2662 -6.01864 50.9012 -8.91088 11.7804 TIMING: 2651800 CPU: 8375.81, 0.00313817/step Wall: 8375.81, 0.00313817/step, 2.04696 hours remaining, 235.898438 MB of memory in use. ENERGY: 2651800 3953.9945 20600.1762 14558.3805 262.2232 -203634.9116 2784.2554 0.0000 0.0000 51540.9424 -109934.9395 296.2065 -161475.8818 -109571.5753 297.8274 -119.2298 -92.6699 762156.1146 13.7722 13.6018 PRESSURE: 2652000 -581.865 45.8839 -61.9232 45.8844 -172.279 103.391 -61.9231 103.391 -176.883 GPRESSURE: 2652000 -491.634 31.8262 -63.1757 21.968 -155.527 -34.1408 -50.0344 148.624 -195.99 PRESSAVG: 2652000 -8.20546 -46.9534 -34.0626 -46.9534 18.2345 45.2312 -34.0627 45.2311 21.9574 GPRESSAVG: 2652000 -7.97638 -49.1852 -35.5109 -47.6201 18.1234 44.1553 -34.566 48.7649 21.5338 TIMING: 2652000 CPU: 8376.44, 0.00314007/step Wall: 8376.44, 0.00314008/step, 2.04803 hours remaining, 235.898438 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: 2652000 3919.0716 20549.4977 14463.2798 244.4366 -203571.8880 2699.5958 0.0000 0.0000 51796.4578 -109899.5488 297.6750 -161696.0065 -109543.5253 298.1178 -310.3424 -281.0505 762512.1275 10.6622 10.5602 PRESSURE: 2652200 -120.289 -27.1849 -4.50084 -27.1851 -11.0272 -141.374 -4.5016 -141.374 -269.599 GPRESSURE: 2652200 -131.496 -90.1438 -101.425 45.9759 125.268 -69.107 -25.1033 -89.9973 -312.792 PRESSAVG: 2652200 -72.7221 -46.8762 -17.3774 -46.8762 33.9352 -4.55989 -17.3774 -4.55991 -7.25593 GPRESSAVG: 2652200 -74.1748 -45.4414 -16.2735 -47.3646 34.1496 -4.86069 -18.0151 -3.75438 -6.91392 TIMING: 2652200 CPU: 8377.06, 0.00312977/step Wall: 8377.06, 0.00312977/step, 2.04113 hours remaining, 235.898438 MB of memory in use. ENERGY: 2652200 3963.0732 20620.0750 14533.4698 224.6445 -203646.5952 2884.3186 0.0000 0.0000 51662.3750 -109758.6392 296.9044 -161421.0142 -109402.2802 297.9911 -133.6386 -106.3398 760661.6913 -15.3476 -15.6464 LDB: ============= START OF LOAD BALANCING ============== 8389.6 LDB: ============== END OF LOAD BALANCING =============== 8389.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8389.6 LDB: ============= START OF LOAD BALANCING ============== 8389.91 LDB: Largest compute 7057 load 0.031981 is 16.3% of average load 0.195622 LDB: Average compute 0.004381 is 2.2% of average load 0.195622 LDB: TIME 8389.91 LOAD: AVG 0.195622 MAX 0.213854 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.184 MB LDB: TIME 8389.92 LOAD: AVG 0.195622 MAX 0.213854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: TIME 8389.92 LOAD: AVG 0.195622 MAX 0.213854 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.332 MB LDB: ============== END OF LOAD BALANCING =============== 8389.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8389.92 PRESSURE: 2652400 -48.1927 -29.2671 38.9735 -29.2668 -101.485 -9.45031 38.9732 -9.4507 222.337 GPRESSURE: 2652400 36.6428 -94.7677 32.0507 140.728 -45.8559 -34.4907 131.054 25.7828 165.683 PRESSAVG: 2652400 -25.154 -50.0508 22.8303 -50.0508 20.2664 -15.1831 22.8303 -15.1832 -10.0578 GPRESSAVG: 2652400 -25.5559 -51.9515 22.5125 -49.4655 22.1229 -15.3166 24.3074 -17.7573 -11.2795 TIMING: 2652400 CPU: 8377.71, 0.00320122/step Wall: 8377.71, 0.00320122/step, 2.08755 hours remaining, 234.468750 MB of memory in use. ENERGY: 2652400 3999.1132 20443.7041 14468.0385 256.2949 -203949.1112 2925.3807 0.0000 0.0000 52177.4944 -109679.0854 299.8648 -161856.5798 -109326.5306 298.0231 24.2197 52.1566 762170.6946 -4.9818 -4.9042 PRESSURE: 2652600 245.615 22.8868 -16.5981 22.8855 152.001 351.859 -16.5979 351.86 297.977 GPRESSURE: 2652600 219.949 28.3505 -8.56421 -52.4609 277.832 294.68 -18.2605 350.587 287.491 PRESSAVG: 2652600 -30.9943 -5.01592 -20.5051 -5.01587 56.1675 16.8149 -20.5051 16.815 -3.99491 GPRESSAVG: 2652600 -30.2508 -3.53739 -20.7885 -5.10225 54.3461 17.812 -18.8374 18.9626 -3.02744 TIMING: 2652600 CPU: 8378.33, 0.00313127/step Wall: 8378.33, 0.00313127/step, 2.04176 hours remaining, 234.742188 MB of memory in use. ENERGY: 2652600 3983.7237 20332.1438 14463.0823 253.4621 -203359.7508 2569.4822 0.0000 0.0000 51959.9067 -109797.9502 298.6143 -161757.8568 -109439.5780 298.4080 231.8641 261.7576 760953.1231 7.0594 7.0226 PRESSURE: 2652800 9.97238 -137.286 107.893 -137.286 72.4654 82.7221 107.893 82.7204 -161.978 GPRESSURE: 2652800 -0.76668 26.0732 102.339 -88.6633 108.498 122.374 15.5116 -19.0303 -115.266 PRESSAVG: 2652800 -25.9692 -25.2974 0.176126 -25.2974 29.3163 -8.6082 0.176121 -8.60825 -25.0664 GPRESSAVG: 2652800 -26.981 -24.6663 0.347181 -25.5772 29.9041 -8.88816 -0.161992 -11.0558 -24.5121 TIMING: 2652800 CPU: 8378.96, 0.00315496/step Wall: 8378.96, 0.00315496/step, 2.05703 hours remaining, 234.742188 MB of memory in use. ENERGY: 2652800 3959.1940 20469.0885 14458.5039 229.1580 -204017.1734 3072.3392 0.0000 0.0000 51983.3498 -109845.5399 298.7490 -161828.8897 -109472.6039 297.5598 -26.5134 -2.5116 762113.1787 -7.2397 -7.1963 PRESSURE: 2653000 232.688 -80.9227 -138.121 -80.923 -368.653 -65.9951 -138.121 -65.9961 105.513 GPRESSURE: 2653000 201.721 -141.583 -133.276 -167.379 -386.568 -101.888 -263.528 70.6572 249.315 PRESSAVG: 2653000 -68.834 -27.5342 -17.166 -27.5343 57.8655 -18.1071 -17.166 -18.1071 2.89636 GPRESSAVG: 2653000 -67.2398 -27.1143 -18.8735 -28.0074 57.1299 -18.0921 -18.1628 -18.3527 1.85495 TIMING: 2653000 CPU: 8379.6, 0.00316524/step Wall: 8379.6, 0.00316524/step, 2.06356 hours remaining, 234.742188 MB of memory in use. ENERGY: 2653000 4034.5919 20464.6371 14548.7919 225.0916 -203812.9022 2873.1250 0.0000 0.0000 51735.9862 -109930.6785 297.3274 -161666.6648 -109567.6731 298.2155 -10.1505 21.4892 763119.6261 -2.6907 -2.7517 PRESSURE: 2653200 -374.789 -181.742 49.4041 -181.742 -158.231 142.186 49.4041 142.187 429.847 GPRESSURE: 2653200 -307.073 -51.8336 107.327 -112.553 -81.4336 117.089 95.3657 126.467 388.578 PRESSAVG: 2653200 36.8555 -6.93476 -14.8257 -6.93472 -39.8964 13.0693 -14.8257 13.0692 20.1479 GPRESSAVG: 2653200 36.431 -7.4597 -13.1375 -7.41782 -39.7879 13.3632 -16.2702 14.8719 20.4835 TIMING: 2653200 CPU: 8380.23, 0.00315913/step Wall: 8380.23, 0.00315913/step, 2.0594 hours remaining, 234.742188 MB of memory in use. ENERGY: 2653200 3920.0460 20497.5284 14444.8346 256.1282 -203542.3689 2573.2800 0.0000 0.0000 51896.1727 -109954.3791 298.2480 -161850.5518 -109596.2617 297.3702 -34.3909 0.0240 762256.3793 5.7024 5.7089 PRESSURE: 2653400 -120.671 127.159 -86.4821 127.159 -344.709 -76.3589 -86.4818 -76.359 -50.5484 GPRESSURE: 2653400 -48.0288 72.3044 -50.461 281.026 -235.598 -91.8073 -9.74365 65.7493 -134.727 PRESSAVG: 2653400 -3.19225 2.83529 -5.43891 2.83528 4.28734 -20.2507 -5.43892 -20.2507 -30.8419 GPRESSAVG: 2653400 -4.31455 3.17095 -4.81413 1.77739 4.47602 -21.9052 -4.49015 -21.4888 -30.2714 TIMING: 2653400 CPU: 8380.86, 0.00314869/step Wall: 8380.86, 0.00314869/step, 2.05242 hours remaining, 234.730469 MB of memory in use. ENERGY: 2653400 3977.5763 20637.9240 14445.7303 227.3859 -203554.9916 2861.6090 0.0000 0.0000 51693.2225 -109711.5436 297.0817 -161404.7661 -109362.1446 297.8940 -171.9762 -139.4514 763955.3019 -9.9156 -10.0367 PRESSURE: 2653600 -297.324 1.98108 -31.8996 1.98116 -29.6363 -141.28 -31.9005 -141.28 -629.013 GPRESSURE: 2653600 -206.219 -8.84989 38.7473 -81.1146 -81.5864 -125.17 -112.239 -131.163 -578.723 PRESSAVG: 2653600 -16.8755 -27.0327 29.4284 -27.0328 -34.3114 -27.338 29.4284 -27.3379 27.6024 GPRESSAVG: 2653600 -16.3943 -27.9437 28.0422 -26.467 -34.6759 -25.4868 29.1663 -27.0008 27.708 TIMING: 2653600 CPU: 8381.49, 0.00315016/step Wall: 8381.49, 0.00315016/step, 2.05321 hours remaining, 234.730469 MB of memory in use. ENERGY: 2653600 4031.8359 20482.0381 14459.8479 234.6942 -203227.8342 2537.3967 0.0000 0.0000 51837.2297 -109644.7917 297.9093 -161482.0215 -109279.6850 298.1856 -318.6576 -288.8426 762920.5631 -7.8615 -7.7874 PRESSURE: 2653800 59.6734 24.6662 -49.3095 24.6664 -207.188 -279.583 -49.3097 -279.582 -50.7476 GPRESSURE: 2653800 150.639 -20.3766 -1.76102 170.627 -190.516 -287.427 -14.324 -236.28 -66.822 PRESSAVG: 2653800 -5.63412 -67.0392 -14.743 -67.0392 -24.2859 -34.9524 -14.743 -34.9524 21.6834 GPRESSAVG: 2653800 -4.26487 -66.3237 -13.5956 -67.1819 -24.3049 -36.1084 -12.419 -36.1049 20.6033 TIMING: 2653800 CPU: 8382.12, 0.00316769/step Wall: 8382.12, 0.00316769/step, 2.06446 hours remaining, 234.945312 MB of memory in use. ENERGY: 2653800 4019.9652 20373.9290 14522.7272 236.7715 -203503.5831 2836.3652 0.0000 0.0000 51868.7425 -109645.0825 298.0904 -161513.8250 -109282.2075 298.4651 -66.0875 -35.5664 763384.4243 -2.7455 -2.6555 PRESSURE: 2654000 -98.1892 68.2608 4.1078 68.2611 65.2592 -72.771 4.10897 -72.7715 -242.589 GPRESSURE: 2654000 -72.2723 79.55 -8.88777 -153.481 117.687 -54.5941 -103.428 -28.7695 -241.649 PRESSAVG: 2654000 24.4413 -29.3475 -1.49024 -29.3475 16.1482 -20.6019 -1.49028 -20.6019 -20.0008 GPRESSAVG: 2654000 23.3814 -30.7413 -1.52162 -28.4199 16.4618 -21.0486 -3.51475 -20.0831 -19.1475 TIMING: 2654000 CPU: 8382.75, 0.0031611/step Wall: 8382.75, 0.0031611/step, 2.05998 hours remaining, 234.933594 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: 2654000 3985.6703 20543.2021 14499.8231 260.8616 -203339.9146 2526.6247 0.0000 0.0000 51891.7935 -109631.9393 298.2229 -161523.7328 -109269.5301 298.7506 -91.8395 -65.4116 763641.1932 6.8629 6.8986 PRESSURE: 2654200 -276.997 -6.9982 54.1478 -6.99917 94.319 155.496 54.1479 155.497 51.6813 GPRESSURE: 2654200 -144.915 61.3935 -7.02078 7.45788 55.5784 217.647 -32.876 128.966 30.7814 PRESSAVG: 2654200 50.8539 -60.8848 22.8058 -60.8847 -15.5674 18.9045 22.8059 18.9044 21.1523 GPRESSAVG: 2654200 51.1259 -59.566 22.2953 -59.9927 -15.3116 20.3458 23.9309 19.6797 20.4932 TIMING: 2654200 CPU: 8383.38, 0.00315635/step Wall: 8383.38, 0.00315635/step, 2.05671 hours remaining, 235.000000 MB of memory in use. ENERGY: 2654200 4007.5648 20497.5874 14426.7970 235.6604 -203531.0197 2731.0414 0.0000 0.0000 51868.2854 -109764.0832 298.0877 -161632.3686 -109400.6674 298.3900 -43.6655 -19.5184 763956.3583 18.8129 18.7692 PRESSURE: 2654400 238.364 -78.9993 -42.9952 -78.9989 -342.364 -10.7969 -42.9949 -10.7966 51.1444 GPRESSURE: 2654400 187.794 -136.461 -168.38 -144.923 -257.459 -76.7082 -151.595 79.2465 84.5884 PRESSAVG: 2654400 -13.7411 -3.79594 -72.9641 -3.79596 -34.0908 34.4921 -72.964 34.4921 -38.599 GPRESSAVG: 2654400 -13.3123 -4.29901 -75.1796 -4.11501 -35.275 34.7268 -71.4093 34.6662 -37.9576 TIMING: 2654400 CPU: 8384.01, 0.00315009/step Wall: 8384.01, 0.00315009/step, 2.05246 hours remaining, 235.000000 MB of memory in use. ENERGY: 2654400 4020.8422 20413.5994 14508.7182 261.5466 -203650.7436 2960.9533 0.0000 0.0000 51897.3854 -109587.6986 298.2550 -161485.0840 -109225.7032 298.6339 -17.6184 4.9742 761872.7805 -28.8103 -28.8483 PRESSURE: 2654600 117.193 65.8033 -61.5825 65.8035 70.1519 128.754 -61.5817 128.753 47.288 GPRESSURE: 2654600 205.337 -101.047 -35.5193 75.4279 81.646 125.477 -80.435 220.378 30.0242 PRESSAVG: 2654600 11.7524 -7.80926 -5.99198 -7.8093 -40.2362 12.6277 -5.99201 12.6277 29.7087 GPRESSAVG: 2654600 11.3739 -7.81119 -4.21312 -7.71806 -39.1957 12.9096 -9.33041 12.0121 29.277 TIMING: 2654600 CPU: 8384.65, 0.00316444/step Wall: 8384.65, 0.00316444/step, 2.06163 hours remaining, 235.000000 MB of memory in use. ENERGY: 2654600 4014.0514 20480.0904 14490.9238 231.1615 -203509.2784 2723.3627 0.0000 0.0000 51948.1786 -109621.5102 298.5469 -161569.6887 -109257.7457 299.1541 78.2111 105.6691 760908.3579 0.4083 0.4851 PRESSURE: 2654800 -356.851 74.662 263.292 74.6611 -76.8972 31.0424 263.292 31.0417 135.206 GPRESSURE: 2654800 -217.278 29.2826 186.488 186.615 -97.6266 -57.3022 247.241 -44.7411 105.029 PRESSAVG: 2654800 -0.701361 -19.136 18.2124 -19.136 -24.1474 -6.62813 18.2124 -6.62805 -18.272 GPRESSAVG: 2654800 0.184696 -21.3822 17.9731 -17.8961 -23.3574 -8.38183 18.5627 -7.20599 -19.4211 TIMING: 2654800 CPU: 8385.28, 0.0031519/step Wall: 8385.28, 0.0031519/step, 2.05329 hours remaining, 235.000000 MB of memory in use. ENERGY: 2654800 4013.2397 20449.0156 14446.4154 253.9265 -203512.8474 2835.7439 0.0000 0.0000 51794.0796 -109720.4267 297.6613 -161514.5063 -109368.6706 298.8745 -99.5143 -69.9587 761081.8661 -14.3736 -14.1979 PRESSURE: 2655000 -8.62755 5.32863 -113.7 5.32807 237.733 -17.5739 -113.7 -17.5732 -135.773 GPRESSURE: 2655000 49.4411 138.022 -74.7757 -66.8295 163.557 -120.342 -143.754 -33.1177 -54.5268 PRESSAVG: 2655000 11.2121 45.2601 -14.6589 45.2601 -21.1798 27.046 -14.6589 27.046 6.25703 GPRESSAVG: 2655000 10.5972 47.723 -12.7748 42.7465 -22.7172 26.7101 -14.8758 27.4967 8.05422 TIMING: 2655000 CPU: 8385.91, 0.00314602/step Wall: 8385.91, 0.00314602/step, 2.04928 hours remaining, 235.000000 MB of memory in use. ENERGY: 2655000 3969.5402 20583.8419 14449.7828 237.0347 -203361.4147 2513.5351 0.0000 0.0000 51955.2861 -109652.3939 298.5877 -161607.6800 -109292.7235 298.5638 31.1108 52.8238 760908.9733 -1.2369 -1.3553 PRESSURE: 2655200 130.662 -37.427 107.094 -37.4274 -242.338 28.1397 107.094 28.1402 -182.966 GPRESSURE: 2655200 134.331 -32.6049 101.672 93.9231 -173.512 22.4028 77.916 198.989 -176.506 PRESSAVG: 2655200 3.05242 7.04342 19.805 7.04341 -16.0022 14.2935 19.8051 14.2935 21.4757 GPRESSAVG: 2655200 3.82493 8.58683 21.0148 7.09564 -16.1634 14.725 18.4668 14.4154 20.4824 TIMING: 2655200 CPU: 8386.53, 0.0031343/step Wall: 8386.53, 0.0031343/step, 2.04147 hours remaining, 235.000000 MB of memory in use. ENERGY: 2655200 4006.1910 20411.7567 14419.1709 251.8195 -203460.7560 2935.0569 0.0000 0.0000 51918.5192 -109518.2419 298.3764 -161436.7611 -109151.8597 298.6979 -98.2137 -71.8956 763121.4089 2.8420 2.7146 PRESSURE: 2655400 -151.353 206.16 27.0759 206.16 -276.43 -60.8906 27.0753 -60.8908 -122.565 GPRESSURE: 2655400 -109.893 206.158 -6.00076 113.838 -244.244 4.50247 -30.6949 -61.7683 -120.777 PRESSAVG: 2655400 14.2632 9.34712 -22.698 9.34705 -26.2882 27.8154 -22.698 27.8153 0.00875557 GPRESSAVG: 2655400 13.6547 7.21979 -26.726 10.2588 -25.7197 27.423 -19.4907 27.6639 0.205944 TIMING: 2655400 CPU: 8387.16, 0.00314337/step Wall: 8387.16, 0.00314337/step, 2.04721 hours remaining, 235.000000 MB of memory in use. ENERGY: 2655400 3863.0859 20417.1669 14411.8923 248.9024 -203326.8559 2612.4461 0.0000 0.0000 52155.0485 -109618.3138 299.7358 -161773.3624 -109244.4725 298.5792 -183.4494 -158.3045 763914.2708 -4.0054 -3.9530 PRESSURE: 2655600 -65.8697 -214.523 -45.2084 -214.524 -72.9682 -64.1926 -45.2086 -64.1927 -111.69 GPRESSURE: 2655600 7.39627 -167.065 19.6958 -0.612849 -66.1238 55.117 -152.656 -104.603 -122.314 PRESSAVG: 2655600 74.4746 15.1015 48.9843 15.1016 -49.2165 -20.6588 48.9844 -20.6588 -5.69388 GPRESSAVG: 2655600 75.5918 15.3161 51.0017 15.5177 -50.4566 -20.4482 47.9889 -21.7156 -6.09138 TIMING: 2655600 CPU: 8387.79, 0.00316357/step Wall: 8387.79, 0.00316357/step, 2.06019 hours remaining, 235.000000 MB of memory in use. ENERGY: 2655600 4005.5051 20463.3357 14490.5064 238.8796 -203498.2972 2636.3403 0.0000 0.0000 52201.9698 -109461.7605 300.0054 -161663.7302 -109104.3473 299.0386 -83.5093 -60.3473 763664.3441 6.5214 6.3479 PRESSURE: 2655800 44.1806 68.6622 149.197 68.6615 -97.2194 -23.7486 149.197 -23.7473 -90.4355 GPRESSURE: 2655800 141.504 138.091 110.498 21.1484 -129.303 -132 135.165 47.9845 -54.922 PRESSAVG: 2655800 87.1353 -106.063 5.50134 -106.063 -76.2724 34.0561 5.5014 34.0561 6.07113 GPRESSAVG: 2655800 85.6902 -104.606 6.66839 -104.643 -74.851 34.0324 4.29541 35.0646 6.00255 TIMING: 2655800 CPU: 8388.43, 0.00315348/step Wall: 8388.43, 0.00315348/step, 2.05344 hours remaining, 235.000000 MB of memory in use. ENERGY: 2655800 3913.2002 20487.2669 14430.4929 230.8254 -203105.9043 2687.1328 0.0000 0.0000 51892.0908 -109464.8954 298.2246 -161356.9861 -109095.1742 298.9628 -47.8248 -14.2401 763643.0940 5.6447 5.6139 PRESSURE: 2656000 371.313 -187.512 247.782 -187.512 3.02443 278.37 247.782 278.37 -145.392 GPRESSURE: 2656000 333.709 -236.901 169.992 -284.957 65.9406 257.316 242.053 277.866 -87.732 PRESSAVG: 2656000 51.0091 -8.78095 44.8666 -8.78088 -13.1519 82.596 44.8666 82.596 -0.377269 GPRESSAVG: 2656000 49.7945 -10.3292 45.3665 -9.65433 -11.3274 82.3804 43.7858 80.5918 -0.382245 TIMING: 2656000 CPU: 8389.06, 0.0031509/step Wall: 8389.06, 0.0031509/step, 2.05159 hours remaining, 235.000000 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: 2656000 3993.7576 20537.3564 14413.3069 241.5488 -203263.0946 2615.4565 0.0000 0.0000 51983.4450 -109478.2235 298.7496 -161461.6684 -109114.9311 298.6967 76.3153 103.9724 762106.7401 12.4933 12.6949 PRESSURE: 2656200 82.8725 148.408 -125.331 148.409 34.6244 -168.978 -125.332 -168.977 244.12 GPRESSURE: 2656200 176.015 94.9469 -145.618 148.544 -15.8365 -130.154 -149.829 -89.9443 271.776 PRESSAVG: 2656200 -16.2578 31.743 42.6184 31.743 -1.05539 8.85212 42.6184 8.85213 -14.6506 GPRESSAVG: 2656200 -14.9027 31.6857 40.8209 31.8798 -2.98063 10.2591 44.2213 10.6013 -14.0585 TIMING: 2656200 CPU: 8389.68, 0.00313928/step Wall: 8389.68, 0.00313928/step, 2.04384 hours remaining, 235.000000 MB of memory in use. ENERGY: 2656200 4032.4884 20497.2691 14412.6974 234.4462 -203307.2090 2859.6150 0.0000 0.0000 51930.4998 -109340.1930 298.4453 -161270.6929 -108992.1715 298.8050 120.5389 143.9847 762677.3079 -10.6546 -10.6473 LDB: ============= START OF LOAD BALANCING ============== 8402.22 LDB: ============== END OF LOAD BALANCING =============== 8402.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8402.22 LDB: ============= START OF LOAD BALANCING ============== 8402.53 LDB: Largest compute 7058 load 0.031155 is 15.9% of average load 0.195507 LDB: Average compute 0.004389 is 2.2% of average load 0.195507 LDB: TIME 8402.54 LOAD: AVG 0.195507 MAX 0.213264 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.16 MB LDB: TIME 8402.54 LOAD: AVG 0.195507 MAX 0.213264 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.16 MB LDB: TIME 8402.54 LOAD: AVG 0.195507 MAX 0.213264 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.16 MB LDB: ============== END OF LOAD BALANCING =============== 8402.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8402.54 PRESSURE: 2656400 122.588 -43.6522 -83.4485 -43.6514 87.3531 -48.9574 -83.4495 -48.9584 -284.439 GPRESSURE: 2656400 149.63 -85.155 -37.8566 -6.36891 127.121 -144.9 -71.9802 -101.629 -253.638 PRESSAVG: 2656400 23.0598 27.8952 -17.2672 27.8953 -14.939 9.77662 -17.2672 9.77662 6.08533 GPRESSAVG: 2656400 23.5212 27.3488 -17.8049 27.0692 -14.8436 7.44749 -14.854 11.5272 5.66629 TIMING: 2656400 CPU: 8390.33, 0.00321572/step Wall: 8390.33, 0.00321572/step, 2.09343 hours remaining, 236.410156 MB of memory in use. ENERGY: 2656400 4013.7076 20312.3743 14468.5537 246.6483 -203328.7568 2772.7883 0.0000 0.0000 52010.8711 -109503.8135 298.9072 -161514.6846 -109130.0954 298.7751 -24.8325 7.7043 761228.1240 4.7354 4.7813 PRESSURE: 2656600 -50.2494 123.718 111.749 123.718 57.7471 -38.0578 111.749 -38.057 64.9242 GPRESSURE: 2656600 -99.7692 190.143 140.518 135.279 153.488 16.6176 53.3388 -53.1934 108.158 PRESSAVG: 2656600 -42.9349 36.5034 -42.29 36.5034 42.2626 -36.4753 -42.2901 -36.4753 12.3458 GPRESSAVG: 2656600 -44.9429 36.7166 -41.5993 36.4297 43.1058 -35.9637 -44.0827 -37.5439 13.2531 TIMING: 2656600 CPU: 8390.96, 0.00315423/step Wall: 8390.96, 0.00315424/step, 2.05323 hours remaining, 236.875000 MB of memory in use. ENERGY: 2656600 3946.7352 20502.8483 14425.2542 249.9719 -203227.1716 2655.5302 0.0000 0.0000 51907.1627 -109539.6691 298.3112 -161446.8317 -109178.8869 298.5818 24.1406 53.9592 762909.9044 3.8912 3.8054 PRESSURE: 2656800 -229.938 44.3318 -116.193 44.3324 230.781 -190.991 -116.192 -190.991 155.693 GPRESSURE: 2656800 -178.587 100.334 -155.815 74.2968 237.247 -174.443 27.7548 -165.708 207.767 PRESSAVG: 2656800 -33.761 5.8256 -23.034 5.82559 64.7628 -49.673 -23.0339 -49.6729 10.5334 GPRESSAVG: 2656800 -32.8225 6.43307 -24.5557 6.04911 63.9809 -51.3805 -21.5737 -48.3872 10.1853 TIMING: 2656800 CPU: 8391.58, 0.00313075/step Wall: 8391.58, 0.00313075/step, 2.03777 hours remaining, 236.945312 MB of memory in use. ENERGY: 2656800 3979.1374 20357.3987 14489.3630 248.3726 -203523.5490 2863.0619 0.0000 0.0000 51957.6727 -109628.5427 298.6015 -161586.2154 -109265.7891 298.7395 52.1788 88.8087 762010.0113 13.8451 13.7812 PRESSURE: 2657000 -25.6562 -159.03 197.705 -159.03 389.688 -61.0814 197.705 -61.0818 478.355 GPRESSURE: 2657000 -58.862 -251.972 137.645 -97.8219 488.503 -100.26 77.6221 -102.909 480.95 PRESSAVG: 2657000 -34.7842 -22.3525 56.6466 -22.3526 36.823 -6.88073 56.6466 -6.88076 -15.6598 GPRESSAVG: 2657000 -35.2478 -23.1877 57.6822 -21.5373 37.724 -4.51377 54.7983 -7.78651 -15.277 TIMING: 2657000 CPU: 8392.21, 0.00314846/step Wall: 8392.21, 0.00314846/step, 2.04912 hours remaining, 236.945312 MB of memory in use. ENERGY: 2657000 3931.4318 20516.0395 14473.4603 246.4858 -203393.0418 2630.0454 0.0000 0.0000 51976.0994 -109619.4796 298.7074 -161595.5789 -109257.8396 298.2766 280.7956 303.5303 761121.3112 -4.5403 -4.2669 PRESSURE: 2657200 -60.8117 -129.841 -6.66025 -129.841 55.1256 205.087 -6.66107 205.087 71.5411 GPRESSURE: 2657200 -19.7132 -113.578 30.5471 10.9143 89.221 202.065 -106.688 83.9581 59.7692 PRESSAVG: 2657200 15.9686 -48.0039 -7.03915 -48.0039 13.4466 17.7698 -7.03908 17.7698 -5.58705 GPRESSAVG: 2657200 16.0815 -45.7321 -7.96574 -49.3256 13.5011 18.3711 -5.67292 17.6557 -5.63063 TIMING: 2657200 CPU: 8392.84, 0.00315264/step Wall: 8392.84, 0.00315264/step, 2.05167 hours remaining, 236.945312 MB of memory in use. ENERGY: 2657200 3951.6350 20685.5666 14444.6869 230.1759 -203221.2780 2395.1221 0.0000 0.0000 52143.6623 -109370.4292 299.6703 -161514.0915 -109002.9359 298.9988 21.9517 43.0923 760974.8224 7.9427 7.9840 PRESSURE: 2657400 271.712 -138.261 -50.2632 -138.26 -21.0911 -220.223 -50.2636 -220.223 106.613 GPRESSURE: 2657400 267.114 -92.0017 -86.3005 -116.1 0.654639 -85.1407 -60.3493 -250.967 165.733 PRESSAVG: 2657400 43.8185 -17.8584 9.56043 -17.8584 7.75629 -10.6098 9.56052 -10.6098 -17.4676 GPRESSAVG: 2657400 44.6486 -20.4379 11.5945 -18.2829 6.94659 -10.8045 7.22419 -12.5821 -17.722 TIMING: 2657400 CPU: 8393.48, 0.00316152/step Wall: 8393.48, 0.00316152/step, 2.05727 hours remaining, 236.945312 MB of memory in use. ENERGY: 2657400 3964.1462 20608.1914 14471.4154 255.8539 -203891.3126 2689.5593 0.0000 0.0000 52198.9716 -109703.1748 299.9882 -161902.1464 -109338.9261 299.1869 119.0780 144.5005 759145.7641 11.3691 11.2911 PRESSURE: 2657600 -123.837 -71.697 64.9849 -71.6977 -279.379 116.879 64.9852 116.878 108.922 GPRESSURE: 2657600 -61.756 -71.8847 -57.4339 -68.6059 -173.223 49.3789 43.995 15.8152 40.368 PRESSAVG: 2657600 26.0842 29.245 -2.1912 29.2451 -30.2116 28.5629 -2.19124 28.563 -10.3754 GPRESSAVG: 2657600 25.8864 29.1109 -2.36481 31.4208 -29.522 27.3791 -1.74079 30.1995 -10.736 TIMING: 2657600 CPU: 8394.11, 0.00315562/step Wall: 8394.11, 0.00315562/step, 2.05326 hours remaining, 236.945312 MB of memory in use. ENERGY: 2657600 3918.5162 20600.9958 14486.5300 243.5873 -203209.2655 2053.9748 0.0000 0.0000 52076.7474 -109828.9141 299.2858 -161905.6615 -109470.3694 298.9746 -98.0980 -64.8704 761025.7515 -4.8343 -4.7906 PRESSURE: 2657800 314.755 151.261 4.27627 151.261 -5.93663 44.9047 4.2763 44.9046 -170.669 GPRESSURE: 2657800 376.269 81.4741 -20.6646 81.5861 2.14526 72.1189 13.6557 -48.9865 -153.595 PRESSAVG: 2657800 41.0527 -19.9413 40.9186 -19.9413 -49.655 13.3612 40.9185 13.3612 1.44924 GPRESSAVG: 2657800 40.9006 -18.4199 38.8781 -24.8697 -50.4357 13.9228 42.1406 11.0504 2.20655 TIMING: 2657800 CPU: 8394.74, 0.00316298/step Wall: 8394.74, 0.00316298/step, 2.05787 hours remaining, 237.042969 MB of memory in use. ENERGY: 2657800 3930.3872 20540.6416 14449.6018 251.8337 -203518.3497 2705.4359 0.0000 0.0000 51840.3855 -109800.0640 297.9274 -161640.4496 -109429.4010 299.1813 46.0500 74.9400 761119.5399 -2.3844 -2.4428 PRESSURE: 2658000 35.7852 -135.405 379.469 -135.405 -209.153 -10.7395 379.47 -10.7404 -66.3524 GPRESSURE: 2658000 -50.3549 -79.9003 372.563 -95.0692 -106.115 5.31739 260.22 -190.145 5.08398 PRESSAVG: 2658000 41.4108 -25.0406 40.4836 -25.0407 -45.0876 30.1419 40.4836 30.1418 9.37824 GPRESSAVG: 2658000 42.1524 -24.1415 42.5578 -21.9588 -44.0641 30.4386 38.4925 32.6749 7.94414 TIMING: 2658000 CPU: 8395.37, 0.00314645/step Wall: 8395.37, 0.00314645/step, 2.04694 hours remaining, 237.042969 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: 2658000 4024.0088 20671.5599 14447.5649 254.5574 -204058.0494 2696.7551 0.0000 0.0000 52324.9118 -109638.6914 300.7120 -161963.6032 -109284.2021 298.9226 -79.9068 -50.4621 761138.7834 1.9005 2.0108 PRESSURE: 2658200 223.416 113.74 -10.6354 113.741 -293.154 69.446 -10.6358 69.4455 103.682 GPRESSURE: 2658200 261.764 61.9994 34.2247 129.607 -193.422 22.349 -78.9625 -9.31175 45.8164 PRESSAVG: 2658200 22.9191 -19.5086 32.6465 -19.5085 25.8235 -10.4253 32.6467 -10.4253 16.1568 GPRESSAVG: 2658200 22.2991 -19.9497 33.3383 -20.1832 25.7142 -9.59297 33.529 -12.7557 16.9611 TIMING: 2658200 CPU: 8396, 0.00315381/step Wall: 8396, 0.00315381/step, 2.05155 hours remaining, 237.042969 MB of memory in use. ENERGY: 2658200 3960.2867 20633.7994 14441.3594 248.9064 -203524.5777 2532.9818 0.0000 0.0000 51886.2529 -109820.9911 298.1910 -161707.2440 -109455.4474 299.0031 11.3146 38.0527 762289.8452 21.6332 21.6582 PRESSURE: 2658400 -136.101 194.053 -219.34 194.052 -166.486 81.1401 -219.339 81.1413 -95.4038 GPRESSURE: 2658400 -180.762 185.985 -148.356 130.992 -58.6198 103.001 -250.229 214.287 -51.895 PRESSAVG: 2658400 51.8506 -33.9642 -5.12823 -33.9642 -27.132 13.8778 -5.12814 13.8778 -23.0381 GPRESSAVG: 2658400 51.3457 -34.365 -5.56009 -33.6426 -27.1002 14.2603 -4.42887 18.538 -22.5271 TIMING: 2658400 CPU: 8396.63, 0.00315355/step Wall: 8396.63, 0.00315355/step, 2.05121 hours remaining, 237.042969 MB of memory in use. ENERGY: 2658400 4020.1530 20544.1634 14476.0497 242.2770 -203395.5418 2451.0718 0.0000 0.0000 51943.7353 -109718.0917 298.5214 -161661.8270 -109358.3258 298.4170 -132.6636 -97.0922 761219.6475 0.5602 0.5728 PRESSURE: 2658600 -83.9725 -130.051 233.53 -130.052 -140.621 119.508 233.53 119.506 116.735 GPRESSURE: 2658600 -200.663 -39.4377 207.922 -233.01 -57.6876 37.5606 308.715 82.4592 221.734 PRESSAVG: 2658600 70.5394 16.1868 -13.8255 16.1867 -44.2664 -7.90635 -13.8255 -7.90635 17.2981 GPRESSAVG: 2658600 69.976 15.5922 -16.2662 17.8699 -43.9189 -8.15551 -14.2592 -8.99955 17.5395 TIMING: 2658600 CPU: 8397.26, 0.00313447/step Wall: 8397.26, 0.00313447/step, 2.03863 hours remaining, 237.042969 MB of memory in use. ENERGY: 2658600 4005.9131 20455.2540 14536.7756 249.7157 -203324.1455 2340.9265 0.0000 0.0000 51822.6068 -109912.9537 297.8252 -161735.5605 -109554.8175 298.5538 -35.9529 -12.2057 760546.2983 14.5237 14.5322 PRESSURE: 2658800 567.722 -113.624 -36.2385 -113.623 -211.189 -229.004 -36.2386 -229.003 145.549 GPRESSURE: 2658800 613.64 -60.6649 -95.1358 -48.8827 -208.042 -188.186 -153.178 -211.396 185.622 PRESSAVG: 2658800 15.5748 23.8729 30.6495 23.8729 -21.1361 8.25125 30.6494 8.25126 26.042 GPRESSAVG: 2658800 16.7962 23.169 32.5063 23.0809 -21.0752 6.58611 29.017 6.21358 24.7723 TIMING: 2658800 CPU: 8397.89, 0.00313889/step Wall: 8397.89, 0.0031389/step, 2.04133 hours remaining, 237.042969 MB of memory in use. ENERGY: 2658800 4012.0133 20450.5886 14451.3107 248.3660 -203838.4596 2766.2950 0.0000 0.0000 52059.5349 -109850.3512 299.1869 -161909.8860 -109482.9590 298.2488 167.3606 197.0731 759780.9022 6.8269 6.8311 PRESSURE: 2659000 -114.241 -250.677 119.132 -250.677 -211.797 -54.4206 119.132 -54.4211 -345.449 GPRESSURE: 2659000 -133.882 -194.738 143.281 -355.167 -146.995 -60.953 165.142 21.6887 -301.338 PRESSAVG: 2659000 36.5166 3.57947 -9.43645 3.57947 -47.4946 15.4388 -9.4364 15.4387 -39.2497 GPRESSAVG: 2659000 36.4624 4.04287 -9.36641 2.59093 -48.5693 17.0709 -9.44512 16.6201 -38.0456 TIMING: 2659000 CPU: 8398.52, 0.0031501/step Wall: 8398.52, 0.0031501/step, 2.04844 hours remaining, 237.042969 MB of memory in use. ENERGY: 2659000 4081.0013 20326.9697 14478.7061 223.5427 -202992.2230 2292.4257 0.0000 0.0000 51989.9773 -109599.6002 298.7871 -161589.5775 -109244.6307 298.2713 -223.8290 -194.0716 762591.5615 -16.7426 -16.7175 PRESSURE: 2659200 229.888 -34.3099 -329.811 -34.3097 59.1227 39.8427 -329.811 39.8436 64.8683 GPRESSURE: 2659200 264.687 83.2576 -176.813 -14.1443 39.6772 -44.5848 -286.783 144.2 130.881 PRESSAVG: 2659200 54.6824 -39.9381 -46.146 -39.9381 -72.8357 -25.2785 -46.146 -25.2784 7.22474 GPRESSAVG: 2659200 53.9343 -39.5129 -44.6799 -38.9604 -72.0937 -27.2807 -45.8483 -25.5514 6.73364 TIMING: 2659200 CPU: 8399.14, 0.0031339/step Wall: 8399.14, 0.0031339/step, 2.03773 hours remaining, 237.042969 MB of memory in use. ENERGY: 2659200 3972.1146 20321.5286 14427.4368 236.7480 -203473.6006 2811.9547 0.0000 0.0000 52008.1661 -109695.6516 298.8916 -161703.8177 -109328.5352 298.8282 117.9597 145.0817 761980.4154 -3.6429 -3.8086 PRESSURE: 2659400 -28.8169 -73.3037 -194.887 -73.3032 -294.701 -68.4194 -194.887 -68.4196 -127.176 GPRESSURE: 2659400 -96.4346 -19.9911 -152.609 -17.5734 -223.764 -112.89 -142.26 25.084 -50.1194 PRESSAVG: 2659400 -23.4599 -11.5418 -39.9049 -11.5418 5.29841 -68.7587 -39.9049 -68.7586 6.145 GPRESSAVG: 2659400 -23.0302 -11.7247 -40.8883 -11.3384 2.88942 -67.7087 -37.8418 -69.3202 7.24627 TIMING: 2659400 CPU: 8399.77, 0.00314926/step Wall: 8399.77, 0.00314926/step, 2.04754 hours remaining, 237.042969 MB of memory in use. ENERGY: 2659400 3910.1597 20487.3951 14400.6272 239.1352 -203001.1573 2467.8774 0.0000 0.0000 52000.0957 -109495.8670 298.8453 -161495.9627 -109126.2898 298.6883 -150.2314 -123.4393 762276.4559 -4.0055 -4.2982 PRESSURE: 2659600 -16.7947 -193.807 17.0116 -193.806 -227.448 -258.316 17.0112 -258.317 33.3295 GPRESSURE: 2659600 -25.0745 -137.909 68.5983 -185.221 -180.242 -227.296 -114.344 -139.693 88.2812 PRESSAVG: 2659600 -27.8094 -11.6174 3.62699 -11.6175 41.3979 -7.21668 3.62701 -7.21668 9.77784 GPRESSAVG: 2659600 -28.4551 -13.1801 1.66549 -13.0093 42.0176 -6.29572 3.14459 -6.91516 8.92262 TIMING: 2659600 CPU: 8400.4, 0.00314069/step Wall: 8400.4, 0.00314069/step, 2.0418 hours remaining, 237.042969 MB of memory in use. ENERGY: 2659600 3905.4590 20518.9414 14435.2535 271.7322 -203041.7182 2394.2282 0.0000 0.0000 52011.2497 -109504.8543 298.9094 -161516.1040 -109128.8764 299.1391 -70.3045 -39.0117 762625.9480 7.7888 7.4950 PRESSURE: 2659800 -201.249 191.486 124.995 191.486 296.629 -216.25 124.994 -216.25 456.226 GPRESSURE: 2659800 -39.8718 74.3401 38.5637 175.137 234.107 -359.612 20.6656 -41.7425 432.418 PRESSAVG: 2659800 17.0644 -22.1328 8.0476 -22.1327 22.4493 -42.9646 8.04765 -42.9646 1.11821 GPRESSAVG: 2659800 18.3215 -19.8399 9.02261 -22.1542 22.9904 -45.2181 6.43471 -41.7761 -0.198098 TIMING: 2659800 CPU: 8401.03, 0.0031445/step Wall: 8401.03, 0.0031445/step, 2.0441 hours remaining, 237.042969 MB of memory in use. ENERGY: 2659800 3933.6269 20586.7935 14416.9095 247.9660 -203237.2447 2786.9641 0.0000 0.0000 51853.6336 -109411.3511 298.0035 -161264.9847 -109048.3483 298.9122 183.8686 208.8842 763055.7295 13.5440 13.7046 PRESSURE: 2660000 -182.709 27.4782 28.8675 27.4782 -205.836 -192.561 28.8685 -192.561 -313.741 GPRESSURE: 2660000 -93.6293 0.65846 -29.0581 8.90987 -220.602 -69.4821 50.3243 -185.994 -306.468 PRESSAVG: 2660000 18.3056 -54.3777 1.59895 -54.3777 -84.0031 -35.1306 1.59898 -35.1306 0.157096 GPRESSAVG: 2660000 17.6358 -54.1963 1.14668 -53.4557 -85.1904 -34.6323 2.77382 -36.0447 1.60562 TIMING: 2660000 CPU: 8401.66, 0.00314715/step Wall: 8401.66, 0.00314715/step, 2.04564 hours remaining, 237.042969 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: 2660000 3918.7355 20600.6983 14335.8132 253.4884 -203568.4368 2918.0328 0.0000 0.0000 51979.5937 -109562.0749 298.7274 -161541.6686 -109197.0819 298.6608 -234.0955 -206.9000 764229.2922 -21.8468 -21.9830 PRESSURE: 2660200 -259.291 137.512 71.6996 137.512 -288.894 173.036 71.7003 173.037 60.0409 GPRESSURE: 2660200 -208.74 226.702 48.8345 63.6125 -160.961 194.95 96.3968 102.534 -19.877 PRESSAVG: 2660200 48.6012 27.1828 37.5464 27.1829 -18.5619 -31.4742 37.5463 -31.4742 4.64292 GPRESSAVG: 2660200 49.0639 27.7094 38.2105 26.0697 -16.8775 -29.5704 36.5528 -31.964 2.81657 TIMING: 2660200 CPU: 8402.29, 0.00314414/step Wall: 8402.29, 0.00314413/step, 2.04351 hours remaining, 237.042969 MB of memory in use. ENERGY: 2660200 4009.5602 20391.1332 14350.3340 251.1665 -203529.6154 2734.6436 0.0000 0.0000 52143.4213 -109649.3566 299.6690 -161792.7779 -109275.0779 298.9549 -162.7149 -129.8592 762887.2507 11.5607 11.6677 LDB: ============= START OF LOAD BALANCING ============== 8414.82 LDB: ============== END OF LOAD BALANCING =============== 8414.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8414.82 LDB: ============= START OF LOAD BALANCING ============== 8415.14 LDB: Largest compute 7057 load 0.033141 is 17.0% of average load 0.195492 LDB: Average compute 0.004385 is 2.2% of average load 0.195492 LDB: TIME 8415.14 LOAD: AVG 0.195492 MAX 0.215086 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.387 MB LDB: TIME 8415.14 LOAD: AVG 0.195492 MAX 0.215086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.465 MB LDB: TIME 8415.14 LOAD: AVG 0.195492 MAX 0.215086 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.465 MB LDB: ============== END OF LOAD BALANCING =============== 8415.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8415.15 PRESSURE: 2660400 -109.145 -97.8048 10.8645 -97.8039 -212.118 166.984 10.8653 166.983 147.752 GPRESSURE: 2660400 -120.369 -99.2035 -59.6863 -36.5315 -80.3019 109.667 -13.6547 362.761 116.168 PRESSAVG: 2660400 -5.59038 -12.5009 2.7522 -12.5009 16.5013 -27.0498 2.75214 -27.0498 28.2012 GPRESSAVG: 2660400 -8.31994 -12.7291 0.788522 -10.9896 17.0046 -28.4298 3.42302 -26.0216 30.1203 TIMING: 2660400 CPU: 8402.93, 0.00322243/step Wall: 8402.93, 0.00322243/step, 2.09422 hours remaining, 235.953125 MB of memory in use. ENERGY: 2660400 3991.7978 20305.6168 14431.3011 243.0726 -203015.0101 2561.2358 0.0000 0.0000 51850.9017 -109631.0844 297.9878 -161481.9861 -109272.2443 298.6948 -57.8371 -28.1676 763453.6523 13.0374 12.9350 PRESSURE: 2660600 440.921 42.533 62.065 42.532 24.8969 68.0875 62.0645 68.0887 114.076 GPRESSURE: 2660600 353.418 45.0264 85.236 86.3437 85.2813 119.296 67.5486 116.615 213.558 PRESSAVG: 2660600 -42.4228 -17.7907 9.90734 -17.7907 69.8088 -12.3406 9.90734 -12.3406 12.6371 GPRESSAVG: 2660600 -42.0646 -19.1633 13.2755 -17.4772 69.9336 -10.9386 10.07 -13.4286 11.7077 TIMING: 2660600 CPU: 8403.56, 0.0031641/step Wall: 8403.56, 0.0031641/step, 2.05614 hours remaining, 235.953125 MB of memory in use. ENERGY: 2660600 3996.5915 20576.7623 14469.5850 249.4233 -203869.4644 3030.0152 0.0000 0.0000 51988.4231 -109558.6640 298.7782 -161547.0871 -109191.4935 298.9747 193.2980 217.4190 762711.9021 13.3410 13.1922 PRESSURE: 2660800 -90.4811 69.0752 -9.80962 69.0752 -92.3774 -178.574 -9.81043 -178.574 214.696 GPRESSURE: 2660800 -65.2061 89.0002 -64.2438 75.1332 -34.8142 -254.903 28.6109 -216.23 224.396 PRESSAVG: 2660800 -69.4737 -17.1195 20.7085 -17.1195 44.7158 18.5667 20.7085 18.5667 0.919908 GPRESSAVG: 2660800 -68.5855 -15.7313 19.8815 -17.4043 43.0083 17.9497 20.1927 17.7504 1.64902 TIMING: 2660800 CPU: 8404.19, 0.00313822/step Wall: 8404.19, 0.00313822/step, 2.03915 hours remaining, 235.953125 MB of memory in use. ENERGY: 2660800 3985.7539 20596.3618 14468.1801 259.0427 -203895.6015 3019.3431 0.0000 0.0000 52167.1362 -109399.7838 299.8052 -161566.9200 -109043.9949 299.0948 10.6124 41.4586 762745.8295 -7.9460 -7.9760 PRESSURE: 2661000 -42.1514 -116.052 219.71 -116.052 -364.908 -29.9808 219.71 -29.9802 -22.362 GPRESSURE: 2661000 36.2763 -196.941 218.661 -24.2609 -339.641 7.55373 311.913 107.989 -21.2388 PRESSAVG: 2661000 6.26089 -2.58984 44.6482 -2.58982 -22.0881 -59.0162 44.6481 -59.0161 -1.56207 GPRESSAVG: 2661000 4.39915 -5.10071 43.5613 -2.37626 -19.9119 -62.3656 43.6726 -56.4333 -1.63816 TIMING: 2661000 CPU: 8404.82, 0.0031322/step Wall: 8404.82, 0.0031322/step, 2.03506 hours remaining, 235.953125 MB of memory in use. ENERGY: 2661000 3970.9555 20729.1354 14468.4022 246.6854 -203569.6729 2519.0522 0.0000 0.0000 52357.3916 -109278.0506 300.8986 -161635.4422 -108901.0709 299.2926 -143.1405 -108.2012 762412.9765 -5.7964 -5.7170 PRESSURE: 2661200 -143.387 95.8364 92.4582 95.837 79.7628 30.2306 92.4588 30.2297 -137.02 GPRESSURE: 2661200 -149.269 203.572 -30.0487 130.4 179.582 129.857 60.3787 56.6906 -139.746 PRESSAVG: 2661200 -5.4067 -6.77736 -13.649 -6.77743 16.813 -14.8278 -13.649 -14.8278 9.64358 GPRESSAVG: 2661200 -4.23035 -6.47699 -14.2475 -6.01737 15.3226 -11.7936 -10.9859 -16.3955 10.0712 TIMING: 2661200 CPU: 8405.45, 0.0031481/step Wall: 8405.45, 0.0031481/step, 2.04521 hours remaining, 235.953125 MB of memory in use. ENERGY: 2661200 4011.3999 20635.6205 14425.9652 232.6199 -203554.6035 2768.8440 0.0000 0.0000 51995.5363 -109484.6175 298.8191 -161480.1539 -109124.6303 299.3415 -66.8813 -36.4779 761655.5592 7.0166 7.0545 PRESSURE: 2661400 167.532 -126.704 28.8577 -126.705 42.7116 -136.923 28.8572 -136.922 -345.659 GPRESSURE: 2661400 201.319 -165.871 4.00305 -134.137 -47.4263 -172.112 89.6022 -92.0892 -187.565 PRESSAVG: 2661400 26.8511 21.1095 -7.02191 21.1095 7.8253 4.35608 -7.02184 4.35599 8.64272 GPRESSAVG: 2661400 26.6706 20.9748 -8.04893 21.2331 9.44849 4.14743 -8.26236 3.48258 7.85148 TIMING: 2661400 CPU: 8406.08, 0.00314267/step Wall: 8406.08, 0.00314267/step, 2.04151 hours remaining, 235.953125 MB of memory in use. ENERGY: 2661400 4000.5009 20479.7829 14402.6302 242.1387 -203489.0893 2813.0721 0.0000 0.0000 52299.2774 -109251.6871 300.5647 -161550.9645 -108883.9274 299.4328 -45.1384 -11.2243 761976.1568 14.4397 14.6569 PRESSURE: 2661600 -298.401 238.237 46.3428 238.236 -125.187 47.9342 46.3433 47.9348 -71.401 GPRESSURE: 2661600 -232.302 242.283 112.317 199.934 -93.9679 81.5293 111.663 14.258 -96.9175 PRESSAVG: 2661600 35.2092 13.3861 53.8552 13.3861 -44.8052 14.3519 53.8552 14.352 18.1798 GPRESSAVG: 2661600 34.5594 13.9934 56.7518 12.8814 -44.3156 12.6698 53.1236 15.1389 18.195 TIMING: 2661600 CPU: 8406.71, 0.00314912/step Wall: 8406.71, 0.00314912/step, 2.04553 hours remaining, 235.953125 MB of memory in use. ENERGY: 2661600 3936.1373 20744.4113 14539.9480 231.6466 -203410.9191 2605.6051 0.0000 0.0000 52129.1422 -109224.0286 299.5869 -161353.1708 -108860.3479 299.3583 -164.9963 -141.0625 761856.8073 2.8613 2.8129 PRESSURE: 2661800 136.606 -36.1395 -114.691 -36.1391 284.159 -114.097 -114.69 -114.098 303.436 GPRESSURE: 2661800 142.536 -115.027 -84.6217 48.9243 370.286 -36.8382 -105.346 -152.644 287.73 PRESSAVG: 2661800 -10.3735 18.0372 -7.93788 18.0372 14.1534 23.996 -7.93779 23.9961 4.62653 GPRESSAVG: 2661800 -10.4115 17.1701 -8.15172 18.9143 14.1666 25.9121 -8.68274 20.8027 4.51936 TIMING: 2661800 CPU: 8407.34, 0.00314614/step Wall: 8407.34, 0.00314614/step, 2.04342 hours remaining, 235.953125 MB of memory in use. ENERGY: 2661800 4020.0790 20527.5050 14457.3468 255.9672 -203748.8469 2934.6007 0.0000 0.0000 52217.6558 -109335.6923 300.0956 -161553.3481 -108983.6299 299.5741 241.4004 266.8503 759725.8589 2.8022 2.7582 PRESSURE: 2662000 124.924 -125.2 -39.31 -125.201 -173.014 22.9747 -39.3102 22.9752 -229.679 GPRESSURE: 2662000 38.0628 -102.461 -138.852 -149.366 -21.3184 -8.54064 62.0901 -115.864 -216.345 PRESSAVG: 2662000 5.70579 -26.4337 20.4428 -26.4336 -9.78734 -3.02703 20.4429 -3.02695 -12.2833 GPRESSAVG: 2662000 5.73064 -24.7698 20.6912 -27.9529 -9.59706 -3.83698 23.8398 -1.99776 -12.2835 TIMING: 2662000 CPU: 8407.97, 0.00315086/step Wall: 8407.97, 0.00315086/step, 2.04631 hours remaining, 235.953125 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: 2662000 3991.7686 20641.2748 14416.7882 249.8528 -203275.9725 2610.0899 0.0000 0.0000 52065.3125 -109300.8858 299.2201 -161366.1982 -108930.7595 299.5831 -92.5895 -66.5336 760462.6829 -5.4550 -5.3833 PRESSURE: 2662200 214.278 117.617 -42.4259 117.618 298.126 70.62 -42.4263 70.6215 208.293 GPRESSURE: 2662200 214.433 93.9001 -82.8683 60.3849 335.802 75.1397 110.369 -20.6776 234.232 PRESSAVG: 2662200 -1.2961 15.7197 -46.892 15.7197 22.3902 -9.63597 -46.892 -9.63597 15.7117 GPRESSAVG: 2662200 -1.55121 16.83 -48.2746 13.6204 21.0578 -8.27856 -47.5924 -10.0862 17.2132 TIMING: 2662200 CPU: 8408.6, 0.00315841/step Wall: 8408.6, 0.00315841/step, 2.05104 hours remaining, 235.953125 MB of memory in use. ENERGY: 2662200 3976.8151 20674.8048 14464.7741 256.7847 -203573.8313 2821.4057 0.0000 0.0000 52037.3177 -109341.9292 299.0592 -161379.2470 -108981.4197 299.5008 240.2325 261.4887 760907.6156 12.2686 12.2399 PRESSURE: 2662400 -349.065 41.4111 57.9695 41.4107 -207.674 20.3279 57.9691 20.3277 -273.525 GPRESSURE: 2662400 -322.579 84.4211 43.3528 91.5908 -182.509 28.3011 32.2041 111.982 -245.596 PRESSAVG: 2662400 25.1352 16.7228 -54.1291 16.7228 -0.585861 47.6087 -54.129 47.6088 -2.22182 GPRESSAVG: 2662400 26.0436 13.7074 -53.3871 21.4247 0.988834 45.5321 -54.6051 49.5319 -3.72369 TIMING: 2662400 CPU: 8409.22, 0.00312688/step Wall: 8409.22, 0.00312688/step, 2.03039 hours remaining, 235.953125 MB of memory in use. ENERGY: 2662400 4027.9038 20521.4160 14492.9187 235.2468 -203242.2213 2422.0567 0.0000 0.0000 52175.9715 -109366.7078 299.8560 -161542.6793 -109010.5565 299.6269 -276.7545 -250.2279 761399.8651 7.4425 7.7696 PRESSURE: 2662600 -273.264 53.5519 144.487 53.5513 -176.179 -93.9806 144.486 -93.9809 121.135 GPRESSURE: 2662600 -192.176 53.2944 71.0178 105.848 -111.04 -98.2272 185.115 -40.002 45.2284 PRESSAVG: 2662600 0.651234 45.1195 -23.8062 45.1195 -7.5928 33.3631 -23.8063 33.3631 -13.2189 GPRESSAVG: 2662600 0.676619 46.3794 -24.059 42.649 -7.7985 34.6064 -24.9107 32.2802 -12.8694 TIMING: 2662600 CPU: 8409.85, 0.00312966/step Wall: 8409.85, 0.00312966/step, 2.03202 hours remaining, 235.953125 MB of memory in use. ENERGY: 2662600 3972.3444 20511.6181 14540.4492 257.3016 -203294.5339 2496.9415 0.0000 0.0000 52193.1224 -109322.7567 299.9546 -161515.8791 -108953.0603 299.6015 -109.4360 -85.9959 761357.1818 -6.7201 -6.6638 PRESSURE: 2662800 -357.855 22.367 -232.981 22.3672 -315.096 101.777 -232.981 101.776 -135.204 GPRESSURE: 2662800 -329.355 -110.5 -191.761 123.128 -279.373 152.745 -166.146 154.596 -132.657 PRESSAVG: 2662800 -3.12317 -18.3448 -40.4011 -18.3449 13.0338 16.2837 -40.4011 16.2838 4.0574 GPRESSAVG: 2662800 -4.26268 -19.9788 -41.0086 -16.6631 14.8919 15.5574 -38.935 17.7438 3.49862 TIMING: 2662800 CPU: 8410.48, 0.00314015/step Wall: 8410.48, 0.00314015/step, 2.03865 hours remaining, 235.953125 MB of memory in use. ENERGY: 2662800 3967.2593 20779.6719 14462.4379 230.5838 -203115.2431 2526.7392 0.0000 0.0000 52036.9453 -109111.6057 299.0570 -161148.5510 -108760.2434 300.2138 -269.3853 -247.1284 763048.3020 4.6560 4.7093 PRESSURE: 2663000 -134.204 63.3314 113.329 63.3309 32.8803 -158.519 113.329 -158.519 21.6681 GPRESSURE: 2663000 -111.281 -40.5925 85.9303 77.4533 127.417 -105.549 133.243 10.8256 -3.36548 PRESSAVG: 2663000 51.6353 -18.9862 31.5175 -18.9863 -24.9866 21.4513 31.5176 21.4513 7.92796 GPRESSAVG: 2663000 52.9382 -17.7422 32.074 -21.4114 -26.8878 20.0722 30.3083 22.5634 7.7841 TIMING: 2663000 CPU: 8411.1, 0.00313686/step Wall: 8411.1, 0.00313686/step, 2.03635 hours remaining, 235.953125 MB of memory in use. ENERGY: 2663000 4000.4299 20639.5306 14476.5444 243.2446 -203577.5340 2852.4268 0.0000 0.0000 52000.1553 -109365.2023 298.8456 -161365.3577 -109014.5474 300.0265 -26.5520 4.2567 760449.4961 11.5256 11.2782 PRESSURE: 2663200 54.5947 86.4699 167.683 86.4703 -142.141 139.521 167.684 139.521 526.466 GPRESSURE: 2663200 117.816 52.8484 176.426 110.863 -55.9272 35.8976 56.909 130.056 447.053 PRESSAVG: 2663200 26.2392 -34.2447 -4.22912 -34.2447 -45.6871 27.7156 -4.22917 27.7156 -26.6249 GPRESSAVG: 2663200 24.1912 -33.8448 -6.18184 -33.2858 -43.9081 27.9828 -4.24772 25.7807 -26.4914 TIMING: 2663200 CPU: 8411.74, 0.00315361/step Wall: 8411.74, 0.00315361/step, 2.04704 hours remaining, 235.953125 MB of memory in use. ENERGY: 2663200 3958.5266 20675.1010 14481.6631 244.5676 -203525.4481 2716.7441 0.0000 0.0000 52023.6567 -109425.1891 298.9807 -161448.8457 -109072.1117 299.3446 146.3066 169.6473 760769.1723 -15.3576 -15.4028 PRESSURE: 2663400 -69.4476 -371.59 218.184 -371.59 -295.865 -64.2085 218.184 -64.2068 -19.322 GPRESSURE: 2663400 -47.6352 -463.773 203.434 -228.727 -238.97 -128.49 140.537 -9.59124 -26.8887 PRESSAVG: 2663400 -2.46291 -9.61073 -81.9314 -9.61073 -31.3479 -29.2625 -81.9313 -29.2625 -7.34297 GPRESSAVG: 2663400 -0.791205 -11.4163 -79.8399 -7.6331 -32.9002 -29.4933 -80.923 -28.1173 -7.38335 TIMING: 2663400 CPU: 8412.37, 0.0031543/step Wall: 8412.37, 0.0031543/step, 2.04732 hours remaining, 235.953125 MB of memory in use. ENERGY: 2663400 4010.1994 20660.3386 14475.1171 241.4601 -202924.6147 2374.4261 0.0000 0.0000 51937.8703 -109225.2031 298.4877 -161163.0733 -108865.2293 299.3767 -128.2115 -104.4980 762528.6570 -13.7179 -13.6916 PRESSURE: 2663600 118.291 11.5511 -189.426 11.5519 -68.9352 254.766 -189.426 254.765 -45.4764 GPRESSURE: 2663600 126.918 -23.4773 -219.711 -63.1771 -33.3369 193.071 -87.947 194.933 -1.06116 PRESSAVG: 2663600 16.0315 -22.4742 -35.7364 -22.4742 -69.1233 3.64574 -35.7364 3.64576 9.29967 GPRESSAVG: 2663600 15.835 -19.6138 -35.8698 -25.1338 -70.1523 6.1467 -37.5776 1.75108 10.3277 TIMING: 2663600 CPU: 8412.99, 0.00314266/step Wall: 8412.99, 0.00314266/step, 2.03959 hours remaining, 235.953125 MB of memory in use. ENERGY: 2663600 4022.6793 20619.0066 14468.0506 256.5540 -203094.1363 2675.4653 0.0000 0.0000 52056.9062 -108995.4743 299.1718 -161052.3805 -108639.4312 299.5650 1.2932 30.8401 761854.0913 -14.5974 -14.6632 PRESSURE: 2663800 -186.8 -43.5446 -27.0598 -43.5444 -25.2467 35.7486 -27.0605 35.7482 206.552 GPRESSURE: 2663800 -154.549 24.1735 38.2572 -26.492 22.555 1.3418 51.1891 -32.1398 220.769 PRESSAVG: 2663800 49.4291 15.1588 4.16255 15.1587 -52.4014 -1.17687 4.16252 -1.17679 4.71889 GPRESSAVG: 2663800 48.8655 16.2817 2.91412 16.4251 -50.2971 -2.77148 6.61998 0.602366 3.15874 TIMING: 2663800 CPU: 8413.63, 0.00317027/step Wall: 8413.63, 0.00317027/step, 2.05733 hours remaining, 235.953125 MB of memory in use. ENERGY: 2663800 4014.1727 20383.7995 14480.9388 257.8627 -203181.6733 2515.5929 0.0000 0.0000 52438.2568 -109091.0499 301.3634 -161529.3067 -108721.2027 300.2177 -1.8317 29.5917 760252.7682 0.5822 0.5757 PRESSURE: 2664000 -23.4263 121.998 -21.5286 121.997 184.709 -280.381 -21.5287 -280.381 31.924 GPRESSURE: 2664000 -79.6382 120.714 39.227 48.0253 236.762 -230.31 -53.3973 -186.822 115.08 PRESSAVG: 2664000 1.26159 -7.1323 -36.4402 -7.13222 -17.5324 -57.6483 -36.4402 -57.6484 -3.64147 GPRESSAVG: 2664000 1.29431 -8.90317 -34.6058 -7.88222 -19.1001 -57.5949 -39.3975 -57.637 -2.36718 TIMING: 2664000 CPU: 8414.26, 0.00315044/step Wall: 8414.26, 0.00315044/step, 2.04428 hours remaining, 235.953125 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: 2664000 3978.8427 20603.6672 14452.7367 252.1141 -202943.6075 2545.4046 0.0000 0.0000 52000.7493 -109110.0929 298.8490 -161110.8422 -108745.1173 300.1874 64.4022 90.7348 761201.6790 -6.6374 -6.7243 PRESSURE: 2664200 -95.8594 -46.9485 63.2926 -46.9479 -48.6768 26.2319 63.293 26.2331 -139.907 GPRESSURE: 2664200 -80.1388 11.5273 91.64 -52.5328 -61.1548 32.48 112.718 20.5418 -61.4731 PRESSAVG: 2664200 -8.06783 -12.6033 -50.281 -12.6034 -8.86105 -5.04453 -50.281 -5.04454 3.18093 GPRESSAVG: 2664200 -7.53066 -10.9018 -51.1521 -11.6898 -7.84237 -5.85166 -48.6444 -5.93249 1.91074 TIMING: 2664200 CPU: 8414.89, 0.00313819/step Wall: 8414.89, 0.00313819/step, 2.03616 hours remaining, 235.953125 MB of memory in use. ENERGY: 2664200 3980.6718 20531.2629 14442.0356 266.4400 -202894.9121 2449.7603 0.0000 0.0000 52020.1640 -109204.5774 298.9606 -161224.7414 -108847.4228 299.7177 -94.8145 -67.5889 762086.6653 -4.5827 -4.4874 LDB: ============= START OF LOAD BALANCING ============== 8427.42 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8427.42 LDB: =============== DONE WITH MIGRATION ================ 8427.42 LDB: ============= START OF LOAD BALANCING ============== 8427.74 LDB: Largest compute 7076 load 0.031655 is 16.2% of average load 0.195498 LDB: Average compute 0.004412 is 2.3% of average load 0.195498 LDB: TIME 8427.74 LOAD: AVG 0.195498 MAX 0.214894 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.762 MB LDB: TIME 8427.74 LOAD: AVG 0.195498 MAX 0.214894 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: TIME 8427.74 LOAD: AVG 0.195498 MAX 0.214894 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: ============== END OF LOAD BALANCING =============== 8427.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8427.75 PRESSURE: 2664400 77.1757 65.2807 114.296 65.281 -13.5911 -19.2 114.295 -19.1999 107.509 GPRESSURE: 2664400 69.0735 63.1549 73.8209 24.6147 57.48 2.55473 59.454 -123.609 125.03 PRESSAVG: 2664400 48.8332 -23.1521 -9.06084 -23.152 -46.965 -2.77609 -9.06087 -2.77602 4.70942 GPRESSAVG: 2664400 49.6167 -24.7239 -8.44794 -24.5988 -48.1714 -0.64683 -8.25051 -3.1307 4.98986 TIMING: 2664400 CPU: 8415.53, 0.00321446/step Wall: 8415.53, 0.00321446/step, 2.08547 hours remaining, 234.875000 MB of memory in use. ENERGY: 2664400 3943.5003 20514.5609 14458.0033 250.0415 -203134.1218 2611.8484 0.0000 0.0000 52135.2074 -109220.9600 299.6218 -161356.1673 -108859.1911 299.3457 57.0313 83.8611 761927.5661 2.1926 2.1450 PRESSURE: 2664600 -132.413 20.963 186.777 20.9627 -190.53 -49.5144 186.776 -49.5135 -303.47 GPRESSURE: 2664600 -137.954 26.4075 146.635 29.1438 -118.057 -18.2073 119.709 -80.0825 -265.466 PRESSAVG: 2664600 31.7582 -90.674 -10.7591 -90.674 -22.3649 -53.0804 -10.7591 -53.0803 -4.50069 GPRESSAVG: 2664600 30.4548 -90.1884 -10.8892 -90.0303 -21.1711 -55.1837 -12.1374 -53.2486 -4.08725 TIMING: 2664600 CPU: 8416.16, 0.00315257/step Wall: 8416.16, 0.00315257/step, 2.04514 hours remaining, 234.875000 MB of memory in use. ENERGY: 2664600 4028.5617 20438.2146 14440.3221 231.0492 -203220.6419 2735.6112 0.0000 0.0000 52124.7837 -109222.0995 299.5618 -161346.8832 -108862.7678 299.7959 -208.8040 -173.8258 762012.5021 1.6309 1.7322 PRESSURE: 2664800 288.814 19.3395 -47.5344 19.3396 -423.832 -330.011 -47.535 -330.009 242.217 GPRESSURE: 2664800 267.585 84.465 -128.495 -40.0572 -261.658 -285.771 -196.515 -114.725 167.193 PRESSAVG: 2664800 65.7826 24.4809 36.7107 24.4809 -62.2364 -68.762 36.7107 -68.7619 5.2246 GPRESSAVG: 2664800 66.4592 23.4869 34.9845 26.0358 -63.0986 -68.7747 38.2214 -68.4492 5.40112 TIMING: 2664800 CPU: 8416.79, 0.00315389/step Wall: 8416.79, 0.00315389/step, 2.04582 hours remaining, 234.875000 MB of memory in use. ENERGY: 2664800 3949.9350 20430.9577 14486.2395 250.3462 -203066.8483 2510.1963 0.0000 0.0000 52046.3273 -109392.8463 299.1110 -161439.1737 -109031.9320 299.2964 35.7329 57.7066 763549.6151 2.9236 2.9206 PRESSURE: 2665000 149.139 17.8986 115.177 17.8996 -35.0953 -90.0548 115.176 -90.0555 153.89 GPRESSURE: 2665000 160.37 -94.1453 112.2 72.7945 10.6518 -18.8133 -12.3152 -27.5422 187.633 PRESSAVG: 2665000 39.5622 13.1203 -14.5176 13.1204 -40.6612 -69.6172 -14.5176 -69.6172 -14.4393 GPRESSAVG: 2665000 40.134 12.9077 -14.563 13.4875 -40.1443 -68.408 -14.3275 -69.3014 -15.1335 TIMING: 2665000 CPU: 8417.42, 0.0031634/step Wall: 8417.42, 0.0031634/step, 2.05182 hours remaining, 234.875000 MB of memory in use. ENERGY: 2665000 3934.1311 20277.8914 14494.5504 248.9426 -202924.6798 2523.3646 0.0000 0.0000 52173.3240 -109272.4757 299.8408 -161445.7997 -108901.3885 298.8563 89.3114 119.5515 762826.4838 -5.1795 -5.0479 PRESSURE: 2665200 -491.766 -61.6637 -27.3157 -61.6634 -109.506 47.9184 -27.3153 47.9176 -450.048 GPRESSURE: 2665200 -520.111 56.5854 -55.5327 -120.605 -79.4154 35.1589 -9.22262 -3.83041 -378.038 PRESSAVG: 2665200 32.9091 8.35021 0.544738 8.35027 -20.2549 -24.1411 0.544782 -24.1411 2.98682 GPRESSAVG: 2665200 32.1685 10.8328 1.46299 6.49952 -20.3526 -23.6554 -0.807828 -24.7253 3.64218 TIMING: 2665200 CPU: 8418.05, 0.00313532/step Wall: 8418.05, 0.00313532/step, 2.03343 hours remaining, 234.875000 MB of memory in use. ENERGY: 2665200 3976.5618 20468.1166 14445.0215 257.5473 -202738.3122 2337.1135 0.0000 0.0000 52171.1003 -109082.8512 299.8280 -161253.9515 -108727.8431 299.3384 -350.4400 -325.8550 761818.8825 5.2137 5.1527 PRESSURE: 2665400 119.526 -79.3571 227.977 -79.3572 -12.0675 -136.322 227.978 -136.323 -17.3488 GPRESSURE: 2665400 172.529 -273.276 296.182 46.587 64.296 -186.288 195.54 -154.111 -61.3361 PRESSAVG: 2665400 28.3247 -22.4112 -11.2185 -22.4111 -27.1613 -1.73914 -11.2184 -1.73917 2.92597 GPRESSAVG: 2665400 28.7629 -23.5665 -10.6394 -20.0248 -27.612 -4.14953 -10.8006 -1.88693 2.7133 TIMING: 2665400 CPU: 8418.68, 0.00314763/step Wall: 8418.68, 0.00314763/step, 2.04124 hours remaining, 234.875000 MB of memory in use. ENERGY: 2665400 3911.0775 20569.5179 14469.4609 249.8524 -202771.4408 2327.0428 0.0000 0.0000 52314.3919 -108930.0975 300.6515 -161244.4894 -108580.1053 300.1970 30.0365 58.4963 761648.2528 1.3631 1.2881 PRESSURE: 2665600 207.168 -199.752 -33.1449 -199.751 298.791 -32.3517 -33.1447 -32.3513 -55.6022 GPRESSURE: 2665600 224.784 -154.987 31.8753 -232.018 295.726 -5.45934 -115.765 -80.3314 20.4118 PRESSAVG: 2665600 68.3712 -56.9075 11.2073 -56.9075 -42.7262 -36.6442 11.2072 -36.6441 -21.6055 GPRESSAVG: 2665600 66.8961 -56.464 10.8885 -58.0897 -42.827 -34.1381 10.5193 -35.5408 -20.1161 TIMING: 2665600 CPU: 8419.31, 0.00315176/step Wall: 8419.31, 0.00315176/step, 2.04374 hours remaining, 234.875000 MB of memory in use. ENERGY: 2665600 3956.3030 20526.6876 14492.5214 238.8028 -203036.3123 2611.2741 0.0000 0.0000 52151.8954 -109058.8280 299.7177 -161210.7234 -108702.3036 300.0155 150.1188 180.3074 761840.1420 1.3465 1.3177 PRESSURE: 2665800 -398.397 -69.097 74.4906 -69.0971 -577.384 131.328 74.4897 131.329 -770.27 GPRESSURE: 2665800 -335.882 -12.2123 144.548 -89.6091 -614.233 158.641 167.865 108.345 -710.399 PRESSAVG: 2665800 42.3528 -12.5611 -24.1969 -12.5611 -69.6164 10.4533 -24.1969 10.4533 25.6571 GPRESSAVG: 2665800 43.2874 -12.7928 -25.4353 -14.4379 -69.7031 8.97847 -23.1108 11.5453 24.3239 TIMING: 2665800 CPU: 8419.94, 0.0031605/step Wall: 8419.94, 0.0031605/step, 2.04924 hours remaining, 234.875000 MB of memory in use. ENERGY: 2665800 4044.6809 20510.7402 14499.5781 253.5248 -202995.3236 2348.9219 0.0000 0.0000 52084.0262 -109253.8515 299.3276 -161337.8777 -108887.4188 299.5738 -582.0172 -553.5044 764267.6204 -0.5355 -0.6973 PRESSURE: 2666000 -202.166 -30.0368 -106.623 -30.0367 -364.012 12.7326 -106.623 12.732 74.9949 GPRESSURE: 2666000 -114.958 -105.878 -34.6142 -26.0115 -326.142 89.4896 -68.3689 -159.481 26.5144 PRESSAVG: 2666000 33.4263 -34.5011 -14.7527 -34.5011 -24.8616 52.0248 -14.7527 52.0249 8.54831 GPRESSAVG: 2666000 34.9166 -32.9191 -13.1663 -34.1702 -24.792 53.2564 -14.7844 49.2629 7.62204 TIMING: 2666000 CPU: 8420.57, 0.00315843/step Wall: 8420.57, 0.00315843/step, 2.04772 hours remaining, 234.875000 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: 2666000 3976.6454 20491.1349 14531.3971 240.2151 -203369.9137 2714.1309 0.0000 0.0000 52142.7061 -109273.6843 299.6648 -161416.3903 -108908.0073 299.0605 -163.7277 -138.1953 763369.6250 5.7043 5.9156 PRESSURE: 2666200 92.4431 -130.876 -8.7739 -130.876 -78.9833 -235.258 -8.77265 -235.259 -345.947 GPRESSURE: 2666200 172.972 -69.1721 -55.958 -103.108 -140.711 -217.642 -41.6103 -303.857 -291.713 PRESSAVG: 2666200 7.28317 -53.457 5.90931 -53.457 28.76 28.6356 5.90931 28.6355 10.5035 GPRESSAVG: 2666200 6.52989 -54.2078 4.84951 -51.6306 28.858 28.6528 5.46716 29.5231 11.3789 TIMING: 2666200 CPU: 8421.2, 0.0031481/step Wall: 8421.2, 0.00314811/step, 2.04085 hours remaining, 234.875000 MB of memory in use. ENERGY: 2666200 3967.2524 20430.7133 14502.2860 222.2404 -203339.9161 2667.0345 0.0000 0.0000 51925.5527 -109624.8368 298.4169 -161550.3895 -109264.6343 299.1195 -110.8291 -86.4841 761545.7595 15.5155 15.5889 PRESSURE: 2666400 -302.989 -37.0647 8.5827 -37.0658 -109.361 8.93742 8.58347 8.9366 44.4574 GPRESSURE: 2666400 -242.879 28.1547 -44.0791 -110.745 -79.8402 25.1093 72.0732 -28.4451 27.2995 PRESSAVG: 2666400 45.8043 -2.00341 0.321115 -2.0034 -29.0121 -22.4038 0.321127 -22.4038 0.253064 GPRESSAVG: 2666400 46.145 -1.7457 1.32751 -5.05258 -29.795 -22.3178 0.667883 -21.3309 1.12454 TIMING: 2666400 CPU: 8421.83, 0.00312267/step Wall: 8421.83, 0.00312267/step, 2.02418 hours remaining, 234.875000 MB of memory in use. ENERGY: 2666400 3966.5721 20595.3713 14479.2515 221.7453 -203270.4720 2534.0209 0.0000 0.0000 51881.0223 -109592.4888 298.1609 -161473.5111 -109234.3818 298.7025 -122.6307 -98.4731 764274.8363 5.6818 5.8248 PRESSURE: 2666600 74.7917 59.5045 -327.954 59.5034 92.9003 -10.3893 -327.953 -10.3889 158.538 GPRESSURE: 2666600 44.7748 34.5051 -328.734 40.4786 177.273 -54.4624 -242.052 142.453 178.463 PRESSAVG: 2666600 78.9289 1.24123 -1.75067 1.24124 -30.3054 -15.8729 -1.75073 -15.8729 18.0638 GPRESSAVG: 2666600 76.291 0.586164 -1.50982 3.00229 -28.074 -15.8631 -3.31935 -16.8451 17.9152 TIMING: 2666600 CPU: 8422.46, 0.00313744/step Wall: 8422.46, 0.00313744/step, 2.03358 hours remaining, 234.875000 MB of memory in use. ENERGY: 2666600 4006.7695 20487.9781 14493.2745 250.0219 -203664.2952 3009.2068 0.0000 0.0000 51854.0718 -109562.9726 298.0061 -161417.0444 -109212.6082 298.6585 108.7433 133.5037 761421.4941 22.2291 22.0441 PRESSURE: 2666800 77.9193 -30.2928 143.483 -30.2927 -73.0769 212.001 143.482 212 53.6741 GPRESSURE: 2666800 177.9 -5.99271 183.314 -66.7831 -87.6406 349.558 123.217 114.415 39.8248 PRESSAVG: 2666800 42.2992 23.5669 -36.7497 23.5669 -45.7832 4.83062 -36.7497 4.83075 -10.6401 GPRESSAVG: 2666800 43.8244 25.188 -37.9611 22.0252 -46.1868 4.18528 -34.7386 7.13926 -11.5229 TIMING: 2666800 CPU: 8423.08, 0.00313654/step Wall: 8423.08, 0.00313654/step, 2.03283 hours remaining, 234.875000 MB of memory in use. ENERGY: 2666800 3973.9489 20520.7601 14493.1718 244.7610 -203365.2388 2671.2212 0.0000 0.0000 51915.1478 -109546.2279 298.3571 -161461.3758 -109187.5589 298.5113 19.5055 43.3613 764671.8888 -4.7080 -4.6284 PRESSURE: 2667000 -129.187 -184.463 74.7608 -184.462 -100.206 87.5381 74.7606 87.5376 -42.6148 GPRESSURE: 2667000 -180.384 -76.3323 103.399 -55.4265 -28.7669 114.986 12.485 146.269 8.20906 PRESSAVG: 2667000 -6.1218 -20.491 16.8333 -20.491 -8.56689 52.041 16.8334 52.0409 22.06 GPRESSAVG: 2667000 -6.26153 -21.5307 16.5715 -19.9171 -8.18721 53.0815 17.6852 50.3953 21.8537 TIMING: 2667000 CPU: 8423.71, 0.00313552/step Wall: 8423.71, 0.00313552/step, 2.03199 hours remaining, 234.875000 MB of memory in use. ENERGY: 2667000 3953.5688 20559.8605 14455.6146 243.9802 -203511.1594 2830.9473 0.0000 0.0000 51948.7095 -109518.4785 298.5499 -161467.1880 -109160.6185 298.5476 -90.6693 -66.9806 763273.7600 2.4571 2.4683 PRESSURE: 2667200 579.942 -65.2439 98.9187 -65.2434 -74.0564 -10.6546 98.9183 -10.6548 -200.197 GPRESSURE: 2667200 476.241 -116.204 46.2754 -92.8698 75.6564 -40.2898 46.4649 -60.8548 -148.835 PRESSAVG: 2667200 88.561 31.1839 23.1003 31.1838 -47.5148 -0.60485 23.1003 -0.604894 -11.311 GPRESSAVG: 2667200 88.7916 31.0798 24.3442 31.8971 -48.1575 -1.43647 21.8084 1.2029 -10.3592 TIMING: 2667200 CPU: 8424.34, 0.00314217/step Wall: 8424.34, 0.00314217/step, 2.03612 hours remaining, 234.875000 MB of memory in use. ENERGY: 2667200 3934.0757 20406.0485 14423.0432 224.5704 -203173.2724 2809.7062 0.0000 0.0000 51934.3394 -109441.4890 298.4674 -161375.8284 -109090.3935 298.7923 101.8964 134.3541 763056.2590 9.9117 10.0916 PRESSURE: 2667400 238.822 185.103 -242.644 185.102 227.863 -168.085 -242.644 -168.084 -137.944 GPRESSURE: 2667400 260.518 167.411 -154.501 193.196 252.716 -95.9112 -233.671 -159.358 -77.7712 PRESSAVG: 2667400 50.6398 15.119 -1.40778 15.119 -29.7449 16.5995 -1.40783 16.5995 -26.273 GPRESSAVG: 2667400 49.3753 16.1209 -0.580062 14.854 -28.7994 16.8581 -1.02443 15.9695 -25.6873 TIMING: 2667400 CPU: 8424.97, 0.00313517/step Wall: 8424.97, 0.00313517/step, 2.03141 hours remaining, 234.875000 MB of memory in use. ENERGY: 2667400 3973.3411 20397.9829 14498.4500 256.2246 -203204.2180 2602.8321 0.0000 0.0000 52057.3628 -109418.0246 299.1744 -161475.3874 -109047.8656 298.9244 109.5806 145.1542 761055.1512 -1.7927 -1.7038 PRESSURE: 2667600 -282.644 85.0513 -10.6329 85.0514 -386.4 41.2845 -10.6327 41.2841 490.839 GPRESSURE: 2667600 -133.004 183.387 -120.874 76.9865 -364.431 95.7753 14.3993 15.9588 409.544 PRESSAVG: 2667600 -14.1088 -31.1799 -1.3922 -31.1799 28.7661 -46.109 -1.3922 -46.109 1.11583 GPRESSAVG: 2667600 -12.5023 -32.4001 -1.49988 -31.1942 28.1013 -46.0307 -2.04523 -48.3637 -0.0202003 TIMING: 2667600 CPU: 8425.59, 0.00314492/step Wall: 8425.59, 0.00314492/step, 2.03756 hours remaining, 234.875000 MB of memory in use. ENERGY: 2667600 3941.2737 20418.2242 14497.9587 248.9761 -203059.4241 2264.6869 0.0000 0.0000 52036.7522 -109651.5523 299.0559 -161688.3045 -109297.3328 298.8062 -59.4018 -29.2966 760474.6722 5.2577 5.1929 PRESSURE: 2667800 -72.3009 47.6708 43.9624 47.6711 161.092 52.9553 43.9615 52.9555 -99.2979 GPRESSURE: 2667800 -3.5779 -40.5504 46.3546 -46.6828 151.51 -25.153 -20.2839 30.1132 -75.7381 PRESSAVG: 2667800 23.9864 36.7283 0.147512 36.7283 -41.6231 16.4789 0.147484 16.4789 0.770298 GPRESSAVG: 2667800 24.0356 37.4278 1.01805 36.463 -42.1313 14.2248 0.934879 16.7009 0.872986 TIMING: 2667800 CPU: 8426.22, 0.00314411/step Wall: 8426.22, 0.00314411/step, 2.03686 hours remaining, 234.875000 MB of memory in use. ENERGY: 2667800 3991.0034 20587.0816 14522.8499 239.6837 -202975.1734 2550.6681 0.0000 0.0000 51915.4731 -109168.4136 298.3589 -161083.8867 -108816.8556 298.7458 -3.5022 24.0646 762947.7564 -5.6221 -5.7409 PRESSURE: 2668000 282.859 26.1628 -186.668 26.1627 -85.3917 14.0786 -186.667 14.0788 -217.72 GPRESSURE: 2668000 267.838 -22.1696 -171.352 -32.7053 8.6083 99.0538 -181.121 -55.2159 -209.683 PRESSAVG: 2668000 24.7617 -35.8294 24.7111 -35.8293 10.7956 -7.08245 24.7111 -7.08245 -6.18887 GPRESSAVG: 2668000 23.4491 -36.5814 24.246 -37.8488 12.3208 -4.81623 24.4568 -7.18711 -6.22563 TIMING: 2668000 CPU: 8426.86, 0.00316159/step Wall: 8426.86, 0.00316159/step, 2.04801 hours remaining, 234.875000 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: 2668000 3896.3229 20559.8342 14516.7563 238.9080 -202719.9183 2474.6561 0.0000 0.0000 52022.0454 -109011.3953 298.9714 -161033.4407 -108649.7614 299.8856 -6.7508 22.2544 761838.2272 9.7895 9.8481 PRESSURE: 2668200 -589.127 -149.273 127.635 -149.274 -145.222 -7.46073 127.634 -7.4601 132.449 GPRESSURE: 2668200 -504.489 -184.155 197.965 -65.2031 -102.837 -47.071 91.7502 -61.9072 97.6 PRESSAVG: 2668200 34.8536 -22.9713 3.56053 -22.9713 -5.39869 51.722 3.56052 51.7221 15.243 GPRESSAVG: 2668200 34.7727 -23.4121 1.32282 -20.0142 -5.29529 50.6278 5.4324 52.2926 15.4433 TIMING: 2668200 CPU: 8427.48, 0.00313613/step Wall: 8427.48, 0.00313613/step, 2.03134 hours remaining, 234.875000 MB of memory in use. ENERGY: 2668200 3954.7830 20533.0347 14487.9705 243.6963 -202741.4252 2308.3635 0.0000 0.0000 52085.3193 -109128.2580 299.3350 -161213.5773 -108770.5677 298.8108 -200.6334 -169.9086 762898.5101 14.8993 14.9736 LDB: ============= START OF LOAD BALANCING ============== 8440.02 LDB: ============== END OF LOAD BALANCING =============== 8440.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8440.02 LDB: ============= START OF LOAD BALANCING ============== 8440.33 LDB: Largest compute 7077 load 0.033333 is 17.1% of average load 0.195467 LDB: Average compute 0.004401 is 2.3% of average load 0.195467 LDB: TIME 8440.34 LOAD: AVG 0.195467 MAX 0.215461 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.645 MB LDB: TIME 8440.34 LOAD: AVG 0.195467 MAX 0.215461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: TIME 8440.34 LOAD: AVG 0.195467 MAX 0.215461 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: ============== END OF LOAD BALANCING =============== 8440.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8440.34 PRESSURE: 2668400 355.6 -6.90324 -291.236 -6.90425 318.338 19.148 -291.236 19.148 412.723 GPRESSURE: 2668400 393.159 -3.77053 -312.333 83.1292 319.985 34.9672 -240.393 92.4219 452.349 PRESSAVG: 2668400 -7.17685 -27.1302 -4.96393 -27.1303 -18.4036 15.5228 -4.96389 15.5227 27.5414 GPRESSAVG: 2668400 -7.31855 -26.4616 -3.0955 -28.5855 -18.2483 16.9857 -7.27898 14.3625 27.9177 TIMING: 2668400 CPU: 8428.13, 0.00321965/step Wall: 8428.13, 0.00321965/step, 2.08526 hours remaining, 236.863281 MB of memory in use. ENERGY: 2668400 3949.8816 20481.7954 14445.2768 222.1910 -203093.4598 2681.1032 0.0000 0.0000 52087.6559 -109225.5558 299.3485 -161313.2117 -108868.6312 299.5150 362.2205 388.4980 760293.9391 0.6537 0.7836 PRESSURE: 2668600 -49.1024 -116.267 112.287 -116.266 -328.198 -212.267 112.286 -212.266 -36.483 GPRESSURE: 2668600 18.8754 -79.2478 102.916 -71.2616 -186.445 -168.328 199.515 -171.818 -154.923 PRESSAVG: 2668600 71.4182 -47.5954 -35.1089 -47.5952 5.8131 29.1295 -35.1088 29.1295 2.2469 GPRESSAVG: 2668600 72.4452 -47.0621 -37.7732 -46.135 4.99957 28.5066 -32.9283 31.6405 1.84283 TIMING: 2668600 CPU: 8428.75, 0.00313985/step Wall: 8428.75, 0.00313985/step, 2.0334 hours remaining, 237.265625 MB of memory in use. ENERGY: 2668600 4025.8069 20310.9705 14463.0432 253.4619 -202739.3078 2387.5171 0.0000 0.0000 52128.3365 -109170.1718 299.5823 -161298.5083 -108800.4828 299.4975 -137.9279 -107.4974 762873.3556 26.4927 26.4292 PRESSURE: 2668800 143.106 -150.506 -54.109 -150.506 87.627 8.22424 -54.11 8.22384 -147.688 GPRESSURE: 2668800 104.997 -97.3964 -104.037 -110.68 202.865 25.0427 -76.727 -17.5681 -130.803 PRESSAVG: 2668800 39.5793 -22.3254 23.5081 -22.3254 -41.5341 -5.34577 23.508 -5.34584 -18.2418 GPRESSAVG: 2668800 40.0957 -21.5496 24.2671 -23.7457 -40.7461 -6.52271 22.4477 -6.60554 -18.4507 TIMING: 2668800 CPU: 8429.38, 0.00314994/step Wall: 8429.38, 0.00314994/step, 2.03976 hours remaining, 237.265625 MB of memory in use. ENERGY: 2668800 4028.8224 20527.5567 14455.5138 250.5528 -203148.3452 2543.9324 0.0000 0.0000 52168.9061 -109173.0610 299.8154 -161341.9671 -108810.4176 299.4103 27.6817 59.0197 760396.8118 -6.7322 -6.3671 PRESSURE: 2669000 48.2428 -84.6299 27.7843 -84.6297 151.118 -75.8663 27.784 -75.8658 47.0847 GPRESSURE: 2669000 112.788 -209.043 133.775 -159.971 56.397 -114.909 10.7449 -43.5023 158.643 PRESSAVG: 2669000 -40.0141 -29.9883 19.1906 -29.9883 39.8886 -20.75 19.1906 -20.75 12.7598 GPRESSAVG: 2669000 -39.7233 -30.4761 20.5719 -28.8558 38.9991 -19.0886 19.4755 -20.4156 13.445 TIMING: 2669000 CPU: 8430.02, 0.00315583/step Wall: 8430.02, 0.00315583/step, 2.0434 hours remaining, 237.265625 MB of memory in use. ENERGY: 2669000 3968.5266 20510.3974 14531.7060 250.7824 -203357.8503 2574.5436 0.0000 0.0000 52302.5429 -109219.3515 300.5834 -161521.8944 -108837.3758 299.6744 82.1486 109.2761 760373.0076 4.2114 4.2403 PRESSURE: 2669200 -65.0898 -99.8467 180.188 -99.847 -59.48 34.6772 180.189 34.6778 -186.224 GPRESSURE: 2669200 -34.4497 3.46312 94.9497 -90.6944 -40.4026 -64.7841 90.619 32.4451 -160.554 PRESSAVG: 2669200 55.063 16.0001 33.311 16.0002 -35.8608 -9.21472 33.3111 -9.21469 -4.02589 GPRESSAVG: 2669200 54.7267 14.8573 32.8396 15.4452 -34.4147 -9.02279 32.6489 -9.50499 -4.74602 TIMING: 2669200 CPU: 8430.65, 0.00315687/step Wall: 8430.65, 0.00315687/step, 2.0439 hours remaining, 237.265625 MB of memory in use. ENERGY: 2669200 3977.2308 20446.6301 14460.5307 254.1827 -202934.6353 2505.0048 0.0000 0.0000 52152.6046 -109138.4517 299.7217 -161291.0562 -108776.9120 299.8658 -103.5981 -78.4689 761587.7636 5.0588 5.1887 PRESSURE: 2669400 -158.349 30.1708 57.67 30.1712 201.781 23.5927 57.6702 23.5938 126.029 GPRESSURE: 2669400 -28.845 123.669 58.3759 -16.9624 179.165 70.9811 -35.111 -41.8696 100.913 PRESSAVG: 2669400 72.6517 10.261 -49.1404 10.261 -4.65003 -11.1465 -49.1403 -11.1464 -7.96345 GPRESSAVG: 2669400 72.3962 10.4958 -48.9627 10.7462 -4.84746 -10.813 -49.1127 -11.8587 -8.58078 TIMING: 2669400 CPU: 8431.28, 0.00314668/step Wall: 8431.28, 0.00314668/step, 2.03713 hours remaining, 237.265625 MB of memory in use. ENERGY: 2669400 3978.9724 20660.6877 14459.0308 261.9974 -203071.2858 2451.5916 0.0000 0.0000 52262.8208 -108996.1850 300.3551 -161259.0058 -108634.8800 299.9337 56.4869 83.7442 760438.4470 20.0127 19.6560 PRESSURE: 2669600 -88.0322 -128.55 113.155 -128.552 -302.011 -156.957 113.154 -156.956 75.8933 GPRESSURE: 2669600 -44.2196 -109.476 57.8439 38.9519 -182.013 -79.4662 53.541 -210.746 -8.25274 PRESSAVG: 2669600 3.72726 -34.1056 11.3039 -34.1057 -14.567 -7.96082 11.3039 -7.96088 4.35766 GPRESSAVG: 2669600 3.86049 -35.0062 10.7592 -34.4008 -14.9301 -11.6023 10.8661 -7.91102 4.48231 TIMING: 2669600 CPU: 8431.9, 0.00313141/step Wall: 8431.9, 0.00313141/step, 2.02707 hours remaining, 237.265625 MB of memory in use. ENERGY: 2669600 3991.5525 20583.9862 14472.7494 267.8355 -203301.0170 2459.7393 0.0000 0.0000 52470.0735 -109055.0806 301.5462 -161525.1541 -108683.1139 300.4387 -104.7165 -78.1617 762626.1105 -2.1607 -2.1958 PRESSURE: 2669800 -8.36843 12.9719 -24.2918 12.9727 -113.375 -58.9218 -24.2921 -58.9226 -141.444 GPRESSURE: 2669800 -109.711 85.8408 51.1261 114.313 31.7977 16.2852 -26.0979 -1.17701 -101.312 PRESSAVG: 2669800 -42.5892 -25.9476 27.3922 -25.9476 -3.64253 25.0255 27.3921 25.0254 15.4148 GPRESSAVG: 2669800 -44.3331 -24.7145 28.1527 -26.0284 -2.24528 26.4783 27.4182 26.5195 15.8096 TIMING: 2669800 CPU: 8432.53, 0.00313734/step Wall: 8432.53, 0.00313734/step, 2.03073 hours remaining, 237.265625 MB of memory in use. ENERGY: 2669800 3985.3271 20554.2942 14471.2423 254.5433 -203085.2153 2384.8723 0.0000 0.0000 52003.6508 -109431.2853 298.8657 -161434.9361 -109062.3139 299.8465 -87.7293 -59.7417 761235.5654 -10.2723 -10.2563 PRESSURE: 2670000 -178.354 -73.3747 45.8267 -73.3745 69.622 399.882 45.8262 399.882 241.766 GPRESSURE: 2670000 -52.5603 -100.686 177.964 -112.95 62.5023 358.036 53.835 399.161 200.348 PRESSAVG: 2670000 -22.2177 -61.3792 3.235 -61.3792 -1.96898 -29.9937 3.23505 -29.9937 21.7451 GPRESSAVG: 2670000 -20.5309 -62.0177 2.69434 -59.0609 -2.74223 -29.0554 3.51533 -32.0685 20.3781 TIMING: 2670000 CPU: 8433.16, 0.00313064/step Wall: 8433.16, 0.00313064/step, 2.02622 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: 2670000 3999.0976 20420.8885 14539.4021 221.2755 -203394.1410 2625.2613 0.0000 0.0000 52251.8921 -109336.3239 300.2923 -161588.2160 -108967.3867 299.3402 44.3447 70.0967 760482.4004 -0.8139 -0.9650 PRESSURE: 2670200 73.7563 -154.341 -146.66 -154.341 -314.013 -8.71922 -146.66 -8.71946 40.4896 GPRESSURE: 2670200 62.3948 -121.365 -88.0575 -185.638 -247.607 -36.0162 -191.773 73.9117 84.135 PRESSAVG: 2670200 40.8715 -38.9842 34.9705 -38.9842 -32.659 -35.4275 34.9705 -35.4274 -0.0287339 GPRESSAVG: 2670200 41.4607 -39.5481 34.5318 -41.4483 -33.9441 -35.3505 35.9616 -34.4234 0.596095 TIMING: 2670200 CPU: 8433.78, 0.0031304/step Wall: 8433.78, 0.0031304/step, 2.02589 hours remaining, 237.265625 MB of memory in use. ENERGY: 2670200 3922.8467 20419.1087 14533.9018 254.5898 -203191.0452 2601.2539 0.0000 0.0000 52120.6390 -109338.7052 299.5380 -161459.3442 -108973.8506 299.4241 -66.5891 -33.6924 762354.2673 2.7279 2.7042 PRESSURE: 2670400 -196.299 -111.637 108.505 -111.637 -143.093 -213.581 108.506 -213.581 61.1584 GPRESSURE: 2670400 -137.526 -108.815 82.4864 -85.6491 -169.646 -158.776 67.4828 -91.4357 93.5395 PRESSAVG: 2670400 27.4166 -41.5799 -11.3828 -41.5799 -50.789 -7.09897 -11.3828 -7.09891 -9.83059 GPRESSAVG: 2670400 26.7064 -39.8525 -11.717 -40.1251 -50.1016 -7.4599 -12.3724 -7.37778 -8.97558 TIMING: 2670400 CPU: 8434.41, 0.00312096/step Wall: 8434.41, 0.00312096/step, 2.01961 hours remaining, 237.468750 MB of memory in use. ENERGY: 2670400 4039.7606 20593.8692 14505.5526 249.2217 -203184.7337 2642.1313 0.0000 0.0000 51869.4351 -109284.7630 298.0944 -161154.1981 -108931.1742 298.6354 -92.7447 -71.2108 762126.9196 -11.0677 -10.7903 PRESSURE: 2670600 -293.219 -48.6301 34.3107 -48.6304 253.394 -54.9387 34.3104 -54.9382 492.638 GPRESSURE: 2670600 -226.497 -87.5146 86.9783 -20.1354 259.825 67.9969 -8.9916 -92.6112 511.853 PRESSAVG: 2670600 1.84767 -60.4044 -69.7213 -60.4044 -12.2764 -6.42221 -69.7213 -6.4221 -17.8499 GPRESSAVG: 2670600 2.66959 -60.5214 -69.8515 -61.7244 -12.6207 -4.81492 -70.9825 -7.90537 -18.3558 TIMING: 2670600 CPU: 8435.03, 0.00312239/step Wall: 8435.03, 0.00312239/step, 2.02036 hours remaining, 237.535156 MB of memory in use. ENERGY: 2670600 3987.9666 20430.7995 14440.5591 256.6526 -203388.9638 2852.8047 0.0000 0.0000 52259.7810 -109160.4003 300.3377 -161420.1813 -108805.1171 299.2385 150.9375 181.7267 761470.2943 -9.4262 -9.4356 PRESSURE: 2670800 186.907 64.1654 -68.1969 64.1662 -257.91 9.42156 -68.1974 9.42203 205.982 GPRESSURE: 2670800 133.831 33.863 -57.616 95.7013 -92.0442 4.78797 -43.6902 -49.95 180.203 PRESSAVG: 2670800 -16.7412 2.74944 30.19 2.74942 46.4871 -13.1059 30.19 -13.1059 -3.20888 GPRESSAVG: 2670800 -17.4621 0.404517 31.1929 3.17161 48.2226 -14.0763 32.8074 -12.5158 -4.31989 TIMING: 2670800 CPU: 8435.66, 0.0031431/step Wall: 8435.66, 0.0031431/step, 2.03359 hours remaining, 237.535156 MB of memory in use. ENERGY: 2670800 4051.9438 20467.8462 14453.2774 239.9320 -203069.7970 2642.5036 0.0000 0.0000 51946.2653 -109268.0288 298.5359 -161214.2940 -108909.9940 299.4597 44.9932 73.9969 762679.1452 8.8457 8.8136 PRESSURE: 2671000 116.714 -367.052 -166.316 -367.053 -121.917 -67.7786 -166.316 -67.7796 759.527 GPRESSURE: 2671000 170.724 -254.43 -135.827 -327.795 -102.874 -98.6006 -287.074 -111.934 758.508 PRESSAVG: 2671000 54.5405 -36.16 -24.2868 -36.16 -54.2706 -15.2208 -24.2868 -15.2208 11.9451 GPRESSAVG: 2671000 54.1995 -33.6362 -25.7972 -35.8873 -55.3754 -17.4552 -25.3284 -15.9076 13.208 TIMING: 2671000 CPU: 8436.29, 0.00312826/step Wall: 8436.29, 0.00312826/step, 2.02381 hours remaining, 237.535156 MB of memory in use. ENERGY: 2671000 3916.3772 20703.0603 14475.3301 252.3769 -203700.4293 2893.9149 0.0000 0.0000 52142.1944 -109317.1753 299.6619 -161459.3698 -108962.1451 299.7726 251.4414 275.4525 760232.0788 4.0717 4.0107 PRESSURE: 2671200 -483.15 -96.1292 -150.414 -96.1296 79.2993 28.1283 -150.414 28.1263 -164.428 GPRESSURE: 2671200 -458.248 -103.677 -50.028 -17.0388 54.5644 -13.037 -216.847 65.0498 -88.1158 PRESSAVG: 2671200 25.8618 0.679665 -30.2531 0.679661 -35.7213 11.5499 -30.2532 11.5499 8.34287 GPRESSAVG: 2671200 25.6871 -1.01164 -27.6645 1.67479 -35.5544 12.6955 -30.5317 13.515 8.56556 TIMING: 2671200 CPU: 8436.91, 0.00312518/step Wall: 8436.91, 0.00312518/step, 2.02165 hours remaining, 237.535156 MB of memory in use. ENERGY: 2671200 3957.4208 20661.5826 14517.7229 245.8988 -203113.6576 2363.1345 0.0000 0.0000 51749.9557 -109617.9422 297.4077 -161367.8980 -109258.7272 298.9494 -189.4261 -163.9333 761356.2787 -0.5056 -0.4339 PRESSURE: 2671400 122.815 -60.783 -17.7358 -60.782 -176.578 -223.171 -17.7365 -223.171 103.667 GPRESSURE: 2671400 161.52 -133.794 -53.1881 -132.628 -181.659 -268.351 69.5857 -81.2777 156.97 PRESSAVG: 2671400 -23.0603 -21.6509 -20.3544 -21.6509 8.33977 -29.2346 -20.3544 -29.2346 -23.0599 GPRESSAVG: 2671400 -23.8191 -21.5334 -23.916 -23.216 9.38525 -28.6899 -17.9933 -29.2039 -23.456 TIMING: 2671400 CPU: 8437.54, 0.00313214/step Wall: 8437.54, 0.00313214/step, 2.02597 hours remaining, 237.535156 MB of memory in use. ENERGY: 2671400 3905.1554 20365.9381 14482.7075 270.4995 -203118.5199 2469.0896 0.0000 0.0000 51981.0399 -109644.0899 298.7358 -161625.1297 -109286.5061 298.4078 16.6349 45.6105 761085.7241 -12.5934 -12.6299 PRESSURE: 2671600 112.244 -46.578 35.4342 -46.5781 -297.403 127.869 35.4346 127.868 356.683 GPRESSURE: 2671600 126.53 50.0093 -3.66522 55.8226 -205.261 233.994 48.6232 98.1645 330.956 PRESSAVG: 2671600 -28.093 -16.4118 6.55086 -16.4119 21.2752 28.8001 6.55086 28.8001 -13.0679 GPRESSAVG: 2671600 -27.7174 -16.5446 7.34709 -15.1714 20.9358 29.8047 5.89175 26.9484 -13.4348 TIMING: 2671600 CPU: 8438.16, 0.00312374/step Wall: 8438.16, 0.00312374/step, 2.02037 hours remaining, 237.535156 MB of memory in use. ENERGY: 2671600 3927.0055 20593.1702 14471.7991 262.1515 -202910.7470 2418.6399 0.0000 0.0000 51832.6468 -109405.3340 297.8829 -161237.9808 -109054.2640 298.1786 57.1746 84.0752 761214.2572 -6.6286 -6.7388 PRESSURE: 2671800 -110.568 29.2627 -2.72483 29.2636 -357.609 135.616 -2.72541 135.616 -245.858 GPRESSURE: 2671800 -110.787 -6.12549 -16.3155 37.0525 -266.406 142.726 -24.7189 131.956 -253.843 PRESSAVG: 2671800 5.85027 -66.7683 15.7645 -66.7683 53.0472 49.5307 15.7645 49.5307 6.38934 GPRESSAVG: 2671800 6.92628 -65.3001 16.4692 -67.7172 52.2634 48.8501 15.0418 48.8999 6.17834 TIMING: 2671800 CPU: 8438.79, 0.00313231/step Wall: 8438.79, 0.00313231/step, 2.02573 hours remaining, 237.535156 MB of memory in use. ENERGY: 2671800 4078.6773 20372.7185 14510.2591 235.5662 -203297.0199 2433.9830 0.0000 0.0000 52127.1011 -109538.7147 299.5752 -161665.8158 -109177.8401 298.7746 -238.0117 -210.3451 758389.0789 21.7623 21.7894 PRESSURE: 2672000 -115.901 47.836 -84.0521 47.8363 243.436 25.081 -84.0528 25.0796 -221.65 GPRESSURE: 2672000 -53.9135 76.2315 -75.8559 -3.22833 232.449 -45.5619 -45.2921 -9.08235 -216.251 PRESSAVG: 2672000 -6.94881 -21.4515 67.3466 -21.4515 8.78506 63.8819 67.3466 63.8819 11.9974 GPRESSAVG: 2672000 -7.68641 -21.3638 69.9105 -22.0271 9.15913 63.1513 64.7934 64.8248 11.9153 TIMING: 2672000 CPU: 8439.41, 0.00312898/step Wall: 8439.41, 0.00312898/step, 2.02341 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: 2672000 4024.9420 20461.6063 14455.3110 232.6562 -203442.9063 2663.5550 0.0000 0.0000 52086.5676 -109518.2681 299.3422 -161604.8358 -109154.2658 299.0843 -31.3717 -12.5717 761110.6255 4.6112 4.4627 PRESSURE: 2672200 -28.5804 187.292 117.218 187.292 364.279 -57.8856 117.218 -57.8852 457.255 GPRESSURE: 2672200 -21.5099 65.4681 144.872 168.962 483.706 -53.3247 113.574 -53.1971 412.321 PRESSAVG: 2672200 -23.9433 -63.0949 12.6889 -63.0949 44.2581 -9.04908 12.6888 -9.04915 5.72021 GPRESSAVG: 2672200 -23.4616 -64.3278 12.3265 -63.0415 43.8846 -9.93269 14.8932 -8.6408 6.01154 TIMING: 2672200 CPU: 8440.04, 0.00312836/step Wall: 8440.04, 0.00312836/step, 2.02283 hours remaining, 237.535156 MB of memory in use. ENERGY: 2672200 3993.5556 20352.5620 14474.6066 241.2010 -203346.7933 2830.7593 0.0000 0.0000 51882.2514 -109571.8575 298.1680 -161454.1089 -109210.4872 298.6852 264.3178 291.5057 761574.2601 8.6783 8.8115 LDB: ============= START OF LOAD BALANCING ============== 8452.57 LDB: ============== END OF LOAD BALANCING =============== 8452.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8452.57 LDB: ============= START OF LOAD BALANCING ============== 8452.88 LDB: Largest compute 7045 load 0.029889 is 15.3% of average load 0.195479 LDB: Average compute 0.004375 is 2.2% of average load 0.195479 LDB: TIME 8452.89 LOAD: AVG 0.195479 MAX 0.213281 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.797 MB LDB: TIME 8452.89 LOAD: AVG 0.195479 MAX 0.213281 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.797 MB LDB: TIME 8452.89 LOAD: AVG 0.195479 MAX 0.213281 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.797 MB LDB: ============== END OF LOAD BALANCING =============== 8452.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8452.89 PRESSURE: 2672400 183.011 -124.074 54.7784 -124.074 -261.747 -148.744 54.7785 -148.743 -263.258 GPRESSURE: 2672400 113.633 -49.6337 88.9564 -225.324 -170.915 -141.608 13.0017 -113.777 -218.8 PRESSAVG: 2672400 -32.4191 26.6131 -8.44873 26.6131 26.9581 -63.7197 -8.44868 -63.7197 14.3346 GPRESSAVG: 2672400 -32.8587 29.2328 -9.9961 24.6359 27.8093 -62.5116 -7.58502 -63.5236 13.9152 TIMING: 2672400 CPU: 8440.68, 0.00318772/step Wall: 8440.68, 0.00318772/step, 2.06104 hours remaining, 234.863281 MB of memory in use. ENERGY: 2672400 3910.1074 20544.4744 14479.7987 266.7180 -203460.9574 2475.5611 0.0000 0.0000 52151.5013 -109632.7965 299.7154 -161784.2978 -109270.7853 298.8719 -113.9981 -92.0275 758641.3535 2.9579 2.9553 PRESSURE: 2672600 -359.565 -103.002 121.777 -103.002 -173.883 -76.6345 121.777 -76.6359 -154.107 GPRESSURE: 2672600 -291.415 -49.2608 94.0531 -224.589 -136.232 -117.583 81.8313 -57.5727 -161.446 PRESSAVG: 2672600 30.6048 -14.9276 -7.09277 -14.9276 29.243 -29.1561 -7.09283 -29.1561 -1.54336 GPRESSAVG: 2672600 31.3044 -17.249 -6.447 -11.8536 29.1782 -29.7708 -10.1427 -30.0639 -2.65725 TIMING: 2672600 CPU: 8441.31, 0.00315793/step Wall: 8441.31, 0.00315793/step, 2.0416 hours remaining, 234.863281 MB of memory in use. ENERGY: 2672600 4019.7211 20660.1147 14477.3975 251.0622 -203052.8654 2382.3202 0.0000 0.0000 51699.4997 -109562.7501 297.1177 -161262.2497 -109209.1441 298.8150 -229.1853 -196.3644 761463.0301 19.4348 19.2751 PRESSURE: 2672800 -38.7532 -47.9807 -88.3237 -47.9809 196.506 -21.0385 -88.3246 -21.038 404.215 GPRESSURE: 2672800 37.6432 -225.159 -85.3558 -18.02 195.924 -74.5986 -13.0142 12.729 415.35 PRESSAVG: 2672800 -48.5176 -6.71283 -17.6522 -6.71283 34.4012 -86.2268 -17.6522 -86.2268 -9.32678 GPRESSAVG: 2672800 -48.3724 -5.93888 -18.2689 -7.26151 33.15 -86.2781 -16.2974 -84.7203 -7.89643 TIMING: 2672800 CPU: 8441.93, 0.0031223/step Wall: 8441.93, 0.0031223/step, 2.01839 hours remaining, 234.863281 MB of memory in use. ENERGY: 2672800 4061.4320 20639.6746 14429.5508 224.9379 -203293.4555 2642.2523 0.0000 0.0000 51995.8830 -109299.7250 298.8211 -161295.6080 -108935.1702 298.7644 187.3224 216.3060 760643.4574 -7.8144 -7.7063 PRESSURE: 2673000 -98.1421 -142.778 -18.9916 -142.778 -78.071 -62.3234 -18.992 -62.3237 -234.722 GPRESSURE: 2673000 -68.3692 -39.494 34.2169 -205.267 -75.8962 -51.2366 41.6542 -55.6563 -167.644 PRESSAVG: 2673000 12.2232 13.3426 4.25459 13.3427 5.35512 17.1948 4.25459 17.1948 18.8747 GPRESSAVG: 2673000 12.1801 12.8225 4.7441 12.6857 6.33715 18.9751 4.01813 14.4271 18.4093 TIMING: 2673000 CPU: 8442.56, 0.00313371/step Wall: 8442.56, 0.00313371/step, 2.0256 hours remaining, 234.875000 MB of memory in use. ENERGY: 2673000 4005.3222 20574.5971 14446.8036 225.1181 -202976.8507 2506.2261 0.0000 0.0000 51958.7490 -109260.0346 298.6076 -161218.7836 -108894.9025 299.6266 -136.9782 -103.9697 762167.8984 12.1510 12.3088 PRESSURE: 2673200 27.1647 -40.0563 -42.2857 -40.0567 193.609 -97.7634 -42.285 -97.7644 224.99 GPRESSURE: 2673200 99.7117 -73.4703 -69.2384 -78.7184 283.393 -57.4168 41.9165 18.7082 142.841 PRESSAVG: 2673200 -1.6987 -29.1507 -25.4749 -29.1507 21.7057 -20.3902 -25.4749 -20.3902 -17.4101 GPRESSAVG: 2673200 -0.150431 -29.1582 -24.6056 -28.3486 21.3218 -19.907 -23.999 -19.6829 -17.9279 TIMING: 2673200 CPU: 8443.18, 0.0031243/step Wall: 8443.18, 0.00312429/step, 2.01934 hours remaining, 234.875000 MB of memory in use. ENERGY: 2673200 3916.4171 20436.0213 14484.7992 225.8096 -203292.9087 2693.2271 0.0000 0.0000 52313.6636 -109222.9708 300.6473 -161536.6344 -108861.7718 299.3372 148.5879 175.3150 761425.1762 0.8656 1.0811 PRESSURE: 2673400 156.038 -70.0785 -199.805 -70.0786 -175.228 -221.575 -199.806 -221.575 -217.26 GPRESSURE: 2673400 90.4186 -42.9691 -197.401 -153.417 -54.8036 -122.303 -195.662 -225.116 -163.495 PRESSAVG: 2673400 -6.10992 37.3371 8.18844 37.337 21.7397 15.1613 8.18843 15.1612 -9.62572 GPRESSAVG: 2673400 -6.94351 38.3467 6.48203 35.9134 21.7991 14.3128 7.44103 16.2414 -9.61546 TIMING: 2673400 CPU: 8443.81, 0.00312235/step Wall: 8443.81, 0.00312235/step, 2.01791 hours remaining, 234.875000 MB of memory in use. ENERGY: 2673400 4015.3652 20584.0427 14453.2898 244.3348 -203152.5365 2632.2356 0.0000 0.0000 52207.2274 -109016.0410 300.0357 -161223.2684 -108655.8385 299.7328 -78.8167 -42.6266 762074.8237 2.0013 1.7467 PRESSURE: 2673600 -690.311 -31.0609 74.8394 -31.0613 -506.922 18.0543 74.8389 18.054 -245.049 GPRESSURE: 2673600 -664.786 -18.9939 93.4911 -117.431 -431.312 82.3215 7.18233 -3.22311 -258.19 PRESSAVG: 2673600 -30.5403 -15.0815 -18.33 -15.0815 -12.5164 -32.686 -18.3299 -32.6861 7.65452 GPRESSAVG: 2673600 -31.8323 -15.8857 -18.3081 -16.0651 -11.501 -32.3791 -21.0725 -34.4699 8.29408 TIMING: 2673600 CPU: 8444.43, 0.00312448/step Wall: 8444.43, 0.00312448/step, 2.01911 hours remaining, 234.875000 MB of memory in use. ENERGY: 2673600 4070.8247 20511.5395 14440.0231 247.0106 -202906.2698 2254.6515 0.0000 0.0000 52094.0433 -109288.1770 299.3852 -161382.2203 -108927.0525 299.6058 -480.7607 -451.4294 764138.3664 -11.8007 -11.6797 PRESSURE: 2673800 5.74507 32.2656 -41.007 32.2667 86.0651 66.9378 -41.0066 66.9373 -257.213 GPRESSURE: 2673800 -45.3884 -123.907 -24.8287 -31.3795 206.437 85.152 -77.4575 135.036 -251.734 PRESSAVG: 2673800 -38.0129 20.1221 16.546 20.1222 -9.63824 -22.884 16.546 -22.884 21.6429 GPRESSAVG: 2673800 -37.2198 18.0602 17.0234 22.5202 -9.62864 -23.3191 18.8573 -22.7276 21.3724 TIMING: 2673800 CPU: 8445.06, 0.00312019/step Wall: 8445.06, 0.00312019/step, 2.01616 hours remaining, 234.875000 MB of memory in use. ENERGY: 2673800 4018.0409 20683.2115 14470.6884 236.9118 -203396.5028 2674.8350 0.0000 0.0000 52063.2870 -109249.5281 299.2084 -161312.8151 -108895.7220 299.0790 -55.1343 -30.2284 762531.7724 -8.6694 -8.4920 PRESSURE: 2674000 -92.6458 -72.1437 -156.489 -72.1432 138.489 -25.6203 -156.489 -25.6203 -138.832 GPRESSURE: 2674000 -115.842 -41.9513 -95.0866 -101.65 173.427 45.8866 -193.12 -54.1987 -79.0744 PRESSAVG: 2674000 12.6039 -20.8874 56.4841 -20.8875 6.49497 -27.2415 56.4842 -27.2415 -22.7206 GPRESSAVG: 2674000 12.2769 -20.5006 57.2798 -23.0578 5.78762 -26.9034 57.0568 -26.5083 -22.4341 TIMING: 2674000 CPU: 8445.69, 0.00314793/step Wall: 8445.69, 0.00314793/step, 2.03391 hours remaining, 234.875000 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: 2674000 3997.1471 20475.3692 14508.5303 249.6672 -202957.0434 2484.8489 0.0000 0.0000 52169.0847 -109072.3961 299.8164 -161241.4808 -108718.7750 299.4796 -30.9963 -7.1631 762589.9896 -1.2073 -1.4565 PRESSURE: 2674200 13.2762 -21.5756 239.692 -21.5773 176.578 -247.582 239.692 -247.582 241.487 GPRESSURE: 2674200 14.9371 86.8274 220.251 109.577 240.193 -229.153 204.955 -238.929 259.413 PRESSAVG: 2674200 -35.9517 -32.7099 -21.478 -32.7099 49.2486 -14.1085 -21.4779 -14.1085 5.45077 GPRESSAVG: 2674200 -35.6646 -30.0453 -22.1728 -31.9507 48.3822 -14.4838 -22.8785 -13.066 5.66541 TIMING: 2674200 CPU: 8446.31, 0.00312962/step Wall: 8446.31, 0.00312962/step, 2.02191 hours remaining, 234.875000 MB of memory in use. ENERGY: 2674200 4038.2660 20500.3411 14440.1791 227.1084 -203170.2613 2651.4681 0.0000 0.0000 52041.9130 -109270.9856 299.0856 -161312.8986 -108908.1731 299.1515 143.7803 171.5144 760718.3314 6.2492 6.1277 PRESSURE: 2674400 267.698 -3.99544 226.467 -3.99637 -195.116 -41.7788 226.468 -41.7783 251.949 GPRESSURE: 2674400 207.822 -121.292 159.663 25.4412 -139.412 -79.8708 146.871 -10.358 339.039 PRESSAVG: 2674400 -44.628 -25.3707 5.87408 -25.3707 50.4922 -57.2584 5.87417 -57.2584 -1.96543 GPRESSAVG: 2674400 -44.1128 -26.4665 7.63074 -24.6961 49.9264 -56.6576 5.91938 -58.4933 -1.86793 TIMING: 2674400 CPU: 8446.94, 0.00313357/step Wall: 8446.94, 0.00313357/step, 2.02428 hours remaining, 234.875000 MB of memory in use. ENERGY: 2674400 3876.7941 20547.3147 14505.1784 256.9492 -202937.2935 2740.5181 0.0000 0.0000 51888.2258 -109122.3132 298.2023 -161010.5390 -108756.0925 299.2615 108.1772 135.8165 762284.7073 1.2996 1.3152 PRESSURE: 2674600 -149.898 -112.027 -229.297 -112.027 151.024 -279.711 -229.297 -279.712 -322.328 GPRESSURE: 2674600 1.78474 -68.5163 -177.083 -140.533 49.4372 -198.588 -257.625 -251.663 -286.395 PRESSAVG: 2674600 -34.9977 -3.95413 1.44784 -3.95414 76.4261 3.15638 1.44783 3.15638 0.336302 GPRESSAVG: 2674600 -34.7298 -4.09993 0.0997266 -7.3223 77.0477 3.57279 3.04597 2.48147 -0.395389 TIMING: 2674600 CPU: 8447.57, 0.00313626/step Wall: 8447.57, 0.00313626/step, 2.02585 hours remaining, 234.875000 MB of memory in use. ENERGY: 2674600 3944.7602 20688.5255 14467.0871 249.7916 -202881.7496 2419.7124 0.0000 0.0000 51993.7586 -109118.1143 298.8088 -161111.8728 -108752.3397 299.1523 -107.0673 -78.3908 760655.7607 13.9216 13.9742 PRESSURE: 2674800 188.26 -94.8369 -169.422 -94.8369 94.4673 94.5258 -169.421 94.5256 259.66 GPRESSURE: 2674800 219.722 -122.127 -176.723 101.73 165.415 -26.6957 -228.255 55.8526 231.209 PRESSAVG: 2674800 12.1258 -38.8837 -16.6654 -38.8837 1.58301 12.0946 -16.6654 12.0946 -5.74922 GPRESSAVG: 2674800 10.0785 -38.3779 -16.3456 -36.1668 1.88371 10.4235 -18.0878 13.5067 -3.90019 TIMING: 2674800 CPU: 8448.2, 0.00314325/step Wall: 8448.2, 0.00314325/step, 2.03019 hours remaining, 235.078125 MB of memory in use. ENERGY: 2674800 4002.4319 20603.8404 14508.5893 260.6439 -203578.5742 2893.1670 0.0000 0.0000 52317.4259 -108992.4757 300.6690 -161309.9016 -108645.2272 300.0783 180.7958 205.4485 759851.7488 2.6532 2.6873 PRESSURE: 2675000 -213.506 -150.181 -61.1602 -150.18 247.904 147.27 -61.1596 147.27 15.4473 GPRESSURE: 2675000 -119.288 -97.2503 -100.815 -90.21 249.04 127.333 -78.2841 85.1786 -10.3582 PRESSAVG: 2675000 -10.8958 -2.74697 -6.57267 -2.7469 48.2574 3.70719 -6.57254 3.70718 3.41619 GPRESSAVG: 2675000 -10.4742 -2.10289 -6.87032 -2.17778 48.6646 3.82681 -6.58992 4.36499 1.83903 TIMING: 2675000 CPU: 8448.82, 0.00313992/step Wall: 8448.82, 0.00313992/step, 2.02787 hours remaining, 235.078125 MB of memory in use. ENERGY: 2675000 3940.3796 20609.3814 14533.9245 254.1421 -203051.2023 2540.7812 0.0000 0.0000 51856.1382 -109316.4553 298.0179 -161172.5935 -108968.0083 299.6596 16.6151 39.7980 761445.4960 13.5926 13.3431 PRESSURE: 2675200 239.786 176.992 -73.064 176.992 254.442 9.63559 -73.0638 9.63572 -34.3008 GPRESSURE: 2675200 281.297 77.9549 -50.8553 116.395 319.687 18.2211 -198.094 18.965 -49.3374 PRESSAVG: 2675200 11.2245 9.41853 -9.49731 9.4185 14.8935 16.0577 -9.49727 16.0577 2.03798 GPRESSAVG: 2675200 11.5563 6.44334 -10.1981 8.97371 14.8667 16.4157 -9.67445 14.5703 1.87255 TIMING: 2675200 CPU: 8449.45, 0.00312492/step Wall: 8449.45, 0.00312492/step, 2.01801 hours remaining, 235.078125 MB of memory in use. ENERGY: 2675200 3978.4721 20620.2380 14515.6864 249.9313 -203131.1832 2579.4833 0.0000 0.0000 52055.4552 -109131.9169 299.1634 -161187.3722 -108765.3548 299.2631 153.3090 183.8822 761217.8727 9.3853 9.4318 PRESSURE: 2675400 -261.465 -208.328 146.45 -208.328 -143.739 34.8341 146.451 34.8335 -311.336 GPRESSURE: 2675400 -262.842 -261.782 84.3771 -100.018 -112.054 152.467 270.685 -70.1548 -268.208 PRESSAVG: 2675400 -32.7824 -0.624311 14.5713 -0.624252 41.5609 9.42237 14.5713 9.42231 -8.09251 GPRESSAVG: 2675400 -32.9456 1.50909 15.2161 -1.53386 40.7679 8.7965 15.0947 10.5409 -7.39637 TIMING: 2675400 CPU: 8450.08, 0.00313052/step Wall: 8450.08, 0.00313052/step, 2.02145 hours remaining, 235.078125 MB of memory in use. ENERGY: 2675400 3989.6957 20675.9312 14470.1984 241.8323 -203075.6538 2545.1323 0.0000 0.0000 51925.8667 -109226.9973 298.4187 -161152.8639 -108857.6117 299.3194 -238.8463 -214.3680 761430.5006 0.2287 0.1420 PRESSURE: 2675600 49.5628 146.839 -10.4833 146.838 -13.0982 -64.0376 -10.4826 -64.0378 109.871 GPRESSURE: 2675600 168.087 -0.973253 56.0071 143.431 1.65745 -24.0173 196.665 -170.743 67.958 PRESSAVG: 2675600 -49.5228 9.10271 28.4578 9.10267 4.02692 47.9267 28.4578 47.9267 -24.9017 GPRESSAVG: 2675600 -48.7288 7.57324 29.6646 8.51877 3.66321 48.9065 29.7993 47.3234 -25.552 TIMING: 2675600 CPU: 8450.7, 0.00313704/step Wall: 8450.7, 0.00313704/step, 2.02548 hours remaining, 235.078125 MB of memory in use. ENERGY: 2675600 3957.6334 20447.3833 14469.1489 283.0624 -203268.8306 2748.8531 0.0000 0.0000 52120.4249 -109242.3247 299.5368 -161362.7496 -108886.1992 299.3630 48.7785 79.2340 762773.1021 -23.4659 -23.5392 PRESSURE: 2675800 -257.46 -28.0578 132.21 -28.0574 234.282 -292.916 132.21 -292.916 134.6 GPRESSURE: 2675800 -118.198 -8.80136 241.56 -160.797 215.892 -291.834 -3.07461 -195.284 95.6301 PRESSAVG: 2675800 -52.9466 -28.7582 -40.6454 -28.7582 22.4764 34.2677 -40.6454 34.2677 1.34702 GPRESSAVG: 2675800 -54.0459 -28.7737 -41.7406 -26.5965 23.0351 33.5652 -41.3293 35.3513 1.94728 TIMING: 2675800 CPU: 8451.33, 0.00312853/step Wall: 8451.33, 0.00312853/step, 2.01982 hours remaining, 235.078125 MB of memory in use. ENERGY: 2675800 4066.2469 20690.4349 14448.3898 250.1883 -203178.3785 2555.5477 0.0000 0.0000 51858.0466 -109309.5244 298.0289 -161167.5710 -108945.6908 299.2506 37.1407 64.4414 762857.7186 -9.7077 -9.6878 PRESSURE: 2676000 123.353 70.0742 13.0549 70.074 -198.056 238.381 13.0552 238.381 -206.302 GPRESSURE: 2676000 152.601 29.9221 96.2144 -25.0213 -129.084 288.888 44.2634 123.594 -242.092 PRESSAVG: 2676000 -4.89859 -14.373 -26.7492 -14.373 -26.0514 71.3773 -26.7492 71.3773 8.71503 GPRESSAVG: 2676000 -4.36212 -13.1541 -26.0816 -15.5606 -26.5392 72.901 -24.9263 70.3731 8.14753 TIMING: 2676000 CPU: 8451.96, 0.00314025/step Wall: 8451.96, 0.00314025/step, 2.0272 hours remaining, 235.078125 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: 2676000 3999.9096 20485.6588 14370.8599 244.2154 -203471.0562 2549.9938 0.0000 0.0000 52126.1491 -109694.2695 299.5697 -161820.4186 -109328.8155 298.7662 -93.6682 -72.8584 761806.8385 -7.4116 -7.5846 PRESSURE: 2676200 123.61 -106.223 -8.52261 -106.223 131.868 -64.4565 -8.52177 -64.4565 -76.7718 GPRESSURE: 2676200 107.61 -204.027 42.9131 -108.579 223.766 -76.2347 -57.8771 -74.4689 -63.2315 PRESSAVG: 2676200 -3.72165 -0.669477 -0.635693 -0.6694 27.7955 3.6599 -0.635743 3.65988 -5.00297 GPRESSAVG: 2676200 -4.12301 -1.93117 -2.04493 -0.861475 27.3476 2.11822 -2.89209 3.95882 -4.96426 TIMING: 2676200 CPU: 8452.58, 0.00313711/step Wall: 8452.58, 0.00313711/step, 2.02501 hours remaining, 235.078125 MB of memory in use. ENERGY: 2676200 3945.2568 20416.8566 14462.5641 251.5069 -203419.4886 2609.1547 0.0000 0.0000 52064.5835 -109669.5660 299.2159 -161734.1495 -109308.9571 298.4735 59.5685 89.3815 761007.2407 6.3570 6.0868 LDB: ============= START OF LOAD BALANCING ============== 8465.12 LDB: ============== END OF LOAD BALANCING =============== 8465.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8465.12 LDB: ============= START OF LOAD BALANCING ============== 8465.43 LDB: Largest compute 7026 load 0.030323 is 15.5% of average load 0.195458 LDB: Average compute 0.004385 is 2.2% of average load 0.195458 LDB: TIME 8465.44 LOAD: AVG 0.195458 MAX 0.213346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.73 MB LDB: TIME 8465.44 LOAD: AVG 0.195458 MAX 0.213346 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.957 MB LDB: TIME 8465.44 LOAD: AVG 0.195458 MAX 0.213346 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.957 MB LDB: ============== END OF LOAD BALANCING =============== 8465.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8465.44 PRESSURE: 2676400 -151.491 -140.519 145.993 -140.519 -71.5712 76.61 145.993 76.6095 112.956 GPRESSURE: 2676400 -39.4342 -130.132 228.582 -41.2564 -116.955 36.4706 97.9728 -35.7331 121.071 PRESSAVG: 2676400 -36.8083 -8.9663 46.3665 -8.96626 21.4112 -17.5266 46.3665 -17.5266 -16.9523 GPRESSAVG: 2676400 -37.6714 -7.07485 47.7524 -8.9341 21.6677 -17.763 45.245 -18.536 -16.2802 TIMING: 2676400 CPU: 8453.23, 0.00322016/step Wall: 8453.23, 0.00322016/step, 2.07843 hours remaining, 235.183594 MB of memory in use. ENERGY: 2676400 3901.7318 20687.7628 14442.6427 240.8003 -203254.5315 2526.7882 0.0000 0.0000 51813.1317 -109641.6741 297.7708 -161454.8057 -109277.6512 298.0552 -36.7021 -11.7726 761255.3532 -10.7832 -10.7613 PRESSURE: 2676600 126.847 -79.8592 -13.5792 -79.8591 455.583 -131.1 -13.5797 -131.1 467.989 GPRESSURE: 2676600 200.724 -150.002 -116.85 -16.1923 372.657 -149.329 -6.65739 16.504 575.498 PRESSAVG: 2676600 -10.6122 -53.7192 -36.4134 -53.7192 -9.63747 -34.3971 -36.4133 -34.3972 25.304 GPRESSAVG: 2676600 -9.31957 -55.8486 -39.167 -52.7253 -9.93742 -34.9494 -34.3914 -32.438 25.09 TIMING: 2676600 CPU: 8453.85, 0.00312757/step Wall: 8453.85, 0.00312757/step, 2.0185 hours remaining, 235.183594 MB of memory in use. ENERGY: 2676600 3991.6229 20543.5634 14362.8498 250.2927 -203412.3247 2739.9215 0.0000 0.0000 51890.6957 -109633.3786 298.2165 -161524.0743 -109276.3046 298.4222 350.1395 382.9597 760860.8469 1.6848 1.9443 PRESSURE: 2676800 60.799 -76.9627 -16.8094 -76.9628 236.826 106.722 -16.8091 106.721 189.68 GPRESSURE: 2676800 99.1487 -60.0277 -86.2007 -78.7372 228.367 110.04 137.231 -142.786 244.459 PRESSAVG: 2676800 14.9643 22.7656 35.7674 22.7656 57.9554 -2.33962 35.7673 -2.33971 11.9113 GPRESSAVG: 2676800 14.8142 24.9395 37.089 22.7444 58.088 -0.725541 35.2863 -4.67064 11.4207 TIMING: 2676800 CPU: 8454.48, 0.00313012/step Wall: 8454.48, 0.00313012/step, 2.01997 hours remaining, 235.386719 MB of memory in use. ENERGY: 2676800 3914.8411 20509.0158 14448.6446 243.1819 -203209.7300 2636.9072 0.0000 0.0000 51940.4854 -109516.6538 298.5027 -161457.1393 -109165.7043 298.6263 162.4350 190.6585 761369.0152 28.2770 28.1076 PRESSURE: 2677000 -163.227 -163.037 40.3043 -163.037 127.498 -33.0076 40.303 -33.009 20.6798 GPRESSURE: 2677000 -112.058 -176.813 -54.2418 -200.737 96.4313 22.9741 132.324 -31.6638 70.7965 PRESSAVG: 2677000 -22.5416 -28.5877 32.5319 -28.5877 -3.23769 28.3494 32.5319 28.3495 6.27298 GPRESSAVG: 2677000 -22.7918 -31.2487 32.0231 -26.8759 -3.52536 27.3113 33.2867 30.7103 6.64818 TIMING: 2677000 CPU: 8455.11, 0.00314009/step Wall: 8455.11, 0.00314009/step, 2.02623 hours remaining, 235.386719 MB of memory in use. ENERGY: 2677000 3996.5122 20410.3977 14465.2945 245.4838 -203454.1397 2813.3497 0.0000 0.0000 52134.7947 -109388.3072 299.6194 -161523.1019 -109023.4967 298.7491 -5.0163 18.3901 762035.8064 -6.5021 -6.5563 PRESSURE: 2677200 115.801 30.1713 -73.5593 30.1712 206.504 115.837 -73.5593 115.837 545.607 GPRESSURE: 2677200 169.602 55.5723 -54.6609 -10.9681 216.778 117.996 -38.7195 175.457 574.758 PRESSAVG: 2677200 -9.09984 -3.20171 -0.18058 -3.20178 68.0977 25.3111 -0.180565 25.3111 -9.3171 GPRESSAVG: 2677200 -8.3252 -3.00017 -0.268355 -4.50958 68.8642 25.7431 0.614772 24.7884 -10.8583 TIMING: 2677200 CPU: 8455.73, 0.00313143/step Wall: 8455.73, 0.00313143/step, 2.02047 hours remaining, 235.386719 MB of memory in use. ENERGY: 2677200 3971.7569 20459.8126 14468.3203 241.9089 -203520.1934 2860.8469 0.0000 0.0000 52083.7084 -109433.8394 299.3258 -161517.5478 -109078.4462 299.2140 289.3044 320.3792 762071.5497 16.5603 16.5602 PRESSURE: 2677400 255.204 -42.0983 152.076 -42.0989 -139.153 156.088 152.075 156.089 -92.7416 GPRESSURE: 2677400 221.62 5.01194 154.812 57.9612 -140.904 134.144 150.228 78.515 -2.3217 PRESSAVG: 2677400 -29.2722 -21.6975 -27.2586 -21.6975 -37.6075 -3.29258 -27.2585 -3.29244 -12.5364 GPRESSAVG: 2677400 -30.8761 -21.4145 -26.0478 -22.3796 -37.5535 -2.77272 -29.3364 -4.64728 -10.9693 TIMING: 2677400 CPU: 8456.36, 0.00314656/step Wall: 8456.36, 0.00314656/step, 2.03006 hours remaining, 235.386719 MB of memory in use. ENERGY: 2677400 3926.6112 20479.2420 14495.6254 232.6856 -203336.8016 2666.1751 0.0000 0.0000 51903.5384 -109632.9238 298.2903 -161536.4622 -109262.2759 298.2794 7.7698 26.1312 763742.5057 -26.4720 -26.4663 PRESSURE: 2677600 -365.985 -110.547 -79.9078 -110.547 179.341 -76.2211 -79.9071 -76.2218 -495.668 GPRESSURE: 2677600 -241.581 31.9896 3.91112 -125.716 193.135 -3.52408 -47.4408 -207.727 -541.238 PRESSAVG: 2677600 -20.96 -3.43262 27.7517 -3.43261 -13.822 13.2459 27.7518 13.2459 -6.21156 GPRESSAVG: 2677600 -19.9129 -2.2739 28.7486 -5.11474 -14.0848 13.0873 27.5444 14.879 -6.92236 TIMING: 2677600 CPU: 8456.99, 0.00314289/step Wall: 8456.99, 0.00314289/step, 2.02751 hours remaining, 235.386719 MB of memory in use. ENERGY: 2677600 4075.7962 20364.2151 14502.2994 245.5445 -203342.5146 2778.1729 0.0000 0.0000 51888.0879 -109488.3987 298.2016 -161376.4866 -109131.4505 298.3269 -227.4372 -196.5614 763645.3834 -13.6645 -13.6400 PRESSURE: 2677800 -49.973 -75.7101 -131.913 -75.7095 -164.809 116.236 -131.913 116.236 -205.364 GPRESSURE: 2677800 -38.0044 -198.045 -145.072 90.8581 -41.8656 70.2978 -230.05 26.1163 -270.99 PRESSAVG: 2677800 3.65268 -32.7993 -37.8333 -32.7994 -12.9053 -0.191004 -37.8333 -0.191063 -2.97147 GPRESSAVG: 2677800 4.73165 -33.1014 -37.5426 -30.4083 -13.3941 -1.78622 -37.7383 -0.683887 -3.93545 TIMING: 2677800 CPU: 8457.62, 0.00314025/step Wall: 8457.62, 0.00314025/step, 2.02564 hours remaining, 235.386719 MB of memory in use. ENERGY: 2677800 3994.7036 20306.2769 14452.8229 233.2903 -202730.1595 2311.3859 0.0000 0.0000 51759.2264 -109672.4533 297.4610 -161431.6798 -109296.5255 298.1124 -140.0486 -116.9533 763920.5277 -4.0747 -4.1993 PRESSURE: 2678000 -510.243 -146.87 39.2378 -146.87 -53.3685 -33.7447 39.2386 -33.7433 -164.142 GPRESSURE: 2678000 -414.542 -58.1231 -38.6241 -132.042 -70.2012 -7.63745 -30.5731 -40.4655 -143.898 PRESSAVG: 2678000 7.11441 -17.9263 35.6062 -17.9263 -29.9097 43.2901 35.6062 43.2902 -0.541421 GPRESSAVG: 2678000 5.889 -17.766 34.4651 -18.5089 -28.9456 44.4706 35.1174 40.324 -0.411825 TIMING: 2678000 CPU: 8458.25, 0.00313441/step Wall: 8458.25, 0.00313441/step, 2.0217 hours remaining, 235.386719 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: 2678000 3920.6382 20441.1446 14539.7107 238.6922 -203588.6013 2756.1608 0.0000 0.0000 52058.9093 -109633.3456 299.1833 -161692.2549 -109268.9282 297.8214 -242.5845 -209.5471 762769.5352 -7.7789 -7.8228 PRESSURE: 2678200 -91.1178 57.6215 156.942 57.621 461.757 -102.226 156.941 -102.227 -227.413 GPRESSURE: 2678200 26.5967 4.44225 46.6624 121.246 400.363 -116.619 160.542 -6.43609 -198.164 PRESSAVG: 2678200 -11.5063 -13.9535 -22.2142 -13.9534 28.4918 52.2995 -22.2142 52.2994 5.92727 GPRESSAVG: 2678200 -12.0941 -14.1929 -22.5326 -15.1312 27.5522 50.4976 -20.986 56.586 7.9386 TIMING: 2678200 CPU: 8458.87, 0.00313659/step Wall: 8458.87, 0.00313659/step, 2.02292 hours remaining, 235.386719 MB of memory in use. ENERGY: 2678200 4029.0692 20422.7983 14463.1709 249.0245 -203239.9636 2590.2054 0.0000 0.0000 51879.2880 -109606.4074 298.1510 -161485.6954 -109251.0168 298.8684 47.7421 76.2652 762046.2648 7.6376 7.7989 PRESSURE: 2678400 -245.799 -223.718 -61.9813 -223.718 -285.384 91.728 -61.9813 91.7266 -44.4929 GPRESSURE: 2678400 -217.813 -192.807 51.7367 -185.045 -276.546 102.827 -43.4318 56.7831 -7.91503 PRESSAVG: 2678400 22.2078 -22.0547 -57.2394 -22.0547 4.74088 27.715 -57.2394 27.7149 7.87035 GPRESSAVG: 2678400 23.4727 -22.182 -55.3343 -20.2621 4.90943 28.2652 -58.6774 27.6561 6.30097 TIMING: 2678400 CPU: 8459.5, 0.00314893/step Wall: 8459.5, 0.00314893/step, 2.03071 hours remaining, 235.386719 MB of memory in use. ENERGY: 2678400 3996.3528 20410.1915 14538.3533 239.2505 -203136.8894 2453.6707 0.0000 0.0000 51951.1700 -109547.9005 298.5641 -161499.0705 -109183.2716 298.5214 -191.8919 -167.4246 762268.8516 11.6064 11.5611 PRESSURE: 2678600 342.793 -118.126 -99.1254 -118.125 58.8502 -46.65 -99.1253 -46.6507 261.591 GPRESSURE: 2678600 392.322 -117.997 -171.29 -20.5396 162.031 -41.0631 -42.2025 -89.1171 199.899 PRESSAVG: 2678600 37.7866 -7.00404 -49.6517 -7.00399 7.21807 35.7543 -49.6517 35.7543 12.5964 GPRESSAVG: 2678600 36.5572 -5.70295 -51.8443 -9.42565 8.21915 35.8218 -49.9803 32.963 13.0116 TIMING: 2678600 CPU: 8460.13, 0.00313667/step Wall: 8460.13, 0.00313667/step, 2.02263 hours remaining, 235.386719 MB of memory in use. ENERGY: 2678600 3979.8109 20522.0178 14482.2595 241.0271 -203489.8579 2799.5898 0.0000 0.0000 52006.9166 -109458.2362 298.8845 -161465.1528 -109103.4952 298.5591 221.0779 251.4176 761034.3467 19.2003 19.2627 PRESSURE: 2678800 -135.34 -114.367 -5.97331 -114.366 -99.5257 -46.9441 -5.97443 -46.944 176.854 GPRESSURE: 2678800 -98.1388 -24.9694 29.8698 -179.151 -72.3174 -22.5031 92.3614 43.3707 199.803 PRESSAVG: 2678800 61.1144 -47.3938 -23.73 -47.3938 -73.5449 -34.7347 -23.73 -34.7347 1.51471 GPRESSAVG: 2678800 60.4929 -47.4928 -24.285 -47.1662 -73.0891 -36.0406 -21.4057 -32.1419 1.73258 TIMING: 2678800 CPU: 8460.76, 0.00314202/step Wall: 8460.76, 0.00314202/step, 2.0259 hours remaining, 235.386719 MB of memory in use. ENERGY: 2678800 3995.5705 20544.0476 14445.8967 264.9030 -203257.0858 2554.5716 0.0000 0.0000 52277.8464 -109174.2500 300.4415 -161452.0963 -108819.7414 299.1018 -19.3375 9.7822 761760.2342 -3.6386 -3.6212 PRESSURE: 2679000 -81.4217 -224.771 14.0376 -224.772 -108.285 53.7813 14.0371 53.7809 -233.71 GPRESSURE: 2679000 -79.6221 -168.126 94.2332 -239.703 -96.0369 53.77 -69.5344 47.9066 -162.884 PRESSAVG: 2679000 12.002 -22.0138 -12.9411 -22.0138 21.6003 42.8973 -12.9411 42.8973 2.35723 GPRESSAVG: 2679000 13.05 -21.2847 -10.0987 -21.0921 21.1018 43.5378 -15.107 41.3314 1.41243 TIMING: 2679000 CPU: 8461.39, 0.00313307/step Wall: 8461.39, 0.00313307/step, 2.01996 hours remaining, 235.386719 MB of memory in use. ENERGY: 2679000 3940.1707 20576.4749 14443.2162 247.2291 -202900.5419 2477.7639 0.0000 0.0000 51913.6941 -109301.9930 298.3487 -161215.6871 -108935.3480 299.7454 -141.1388 -112.8478 762571.2322 11.9865 11.8547 PRESSURE: 2679200 -182.556 246.227 -146.56 246.229 69.003 -189.876 -146.559 -189.876 -215.699 GPRESSURE: 2679200 -85.6042 198.432 -103.991 202.655 138.411 -203.128 -113.571 -32.2255 -304.475 PRESSAVG: 2679200 -1.44721 14.4212 19.6905 14.4212 18.54 -11.0412 19.6905 -11.0411 -16.8829 GPRESSAVG: 2679200 -0.592318 12.7928 17.3917 12.8602 16.8975 -10.0235 21.213 -10.3177 -16.2201 TIMING: 2679200 CPU: 8462.01, 0.00312209/step Wall: 8462.01, 0.00312209/step, 2.0127 hours remaining, 235.386719 MB of memory in use. ENERGY: 2679200 3961.2786 20539.4976 14503.5059 253.9315 -203203.7941 2562.5117 0.0000 0.0000 52140.0656 -109243.0031 299.6497 -161383.0688 -108881.8202 299.2727 -109.7507 -83.8892 762938.4619 0.0699 0.0283 PRESSURE: 2679400 91.2905 -171.57 -108.123 -171.57 -109.561 -33.6339 -108.124 -33.6353 20.1257 GPRESSURE: 2679400 35.6183 -36.8272 -112.569 -267.516 18.0729 82.7395 -62.6324 4.54427 48.6643 PRESSAVG: 2679400 -2.18338 -4.93516 -31.1322 -4.93512 21.513 -2.96684 -31.1322 -2.96685 15.8705 GPRESSAVG: 2679400 -1.90428 -3.5259 -32.2187 -6.08602 23.1714 -1.87049 -30.5254 -6.01357 14.5706 TIMING: 2679400 CPU: 8462.64, 0.00313555/step Wall: 8462.64, 0.00313555/step, 2.02121 hours remaining, 235.386719 MB of memory in use. ENERGY: 2679400 4022.9465 20503.3580 14473.8149 251.0617 -202553.1935 2191.6262 0.0000 0.0000 51953.0817 -109157.3046 298.5751 -161110.3863 -108799.7202 299.1040 0.6186 34.1185 762324.5324 11.7334 11.9459 PRESSURE: 2679600 515.809 -15.8389 324.477 -15.8387 274.889 59.2326 324.476 59.2324 206.406 GPRESSURE: 2679600 447.118 -42.4289 298.332 88.1793 319.886 -90.7202 166.227 83.1995 298.973 PRESSAVG: 2679600 32.5198 23.7416 34.7984 23.7415 -27.6666 -72.6202 34.7984 -72.6202 -1.08838 GPRESSAVG: 2679600 30.6437 22.7587 38.027 24.6161 -27.5889 -73.6096 33.4973 -69.3084 0.724916 TIMING: 2679600 CPU: 8463.27, 0.00314094/step Wall: 8463.27, 0.00314094/step, 2.02451 hours remaining, 235.386719 MB of memory in use. ENERGY: 2679600 3945.8184 20715.9070 14498.6902 255.6484 -203322.8475 2696.8090 0.0000 0.0000 51947.3233 -109262.6511 298.5420 -161209.9744 -108905.5200 298.8963 332.3678 355.3258 760113.9795 1.2549 1.2599 PRESSURE: 2679800 140.676 -135.07 -307.853 -135.07 110.818 -70.6493 -307.855 -70.6498 -32.5034 GPRESSURE: 2679800 158.085 -71.357 -258.93 -107.054 259.623 -30.9786 -280.745 9.43439 -92.0842 PRESSAVG: 2679800 33.2721 -27.1902 17.5328 -27.1902 -23.993 28.943 17.5328 28.943 -7.41094 GPRESSAVG: 2679800 35.3388 -28.6342 16.0074 -25.5366 -24.4094 29.2936 17.3225 28.3533 -9.49072 TIMING: 2679800 CPU: 8463.89, 0.00313773/step Wall: 8463.89, 0.00313773/step, 2.02227 hours remaining, 235.386719 MB of memory in use. ENERGY: 2679800 4038.5323 20477.9779 14485.4538 265.8788 -203105.0929 2515.5876 0.0000 0.0000 52056.9901 -109264.6725 299.1722 -161321.6626 -108908.3718 299.2714 72.9968 108.5411 761156.7771 0.6227 0.4795 PRESSURE: 2680000 114.443 -91.0573 -96.434 -91.0575 500.937 -149.803 -96.4343 -149.802 274.516 GPRESSURE: 2680000 186.303 -72.9569 -101.439 -113.686 444.195 -183.552 115.131 -182.002 350.078 PRESSAVG: 2680000 -18.796 -48.8147 -9.18288 -48.8147 19.7996 -18.4143 -9.1829 -18.4144 -2.84835 GPRESSAVG: 2680000 -20.4317 -46.4807 -8.00884 -49.9105 20.195 -19.2741 -9.08743 -18.964 -1.88804 TIMING: 2680000 CPU: 8464.52, 0.00313552/step Wall: 8464.52, 0.00313552/step, 2.02067 hours remaining, 235.398438 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: 2680000 4000.0981 20547.4663 14467.7041 239.9913 -203430.0173 2912.6231 0.0000 0.0000 51709.5590 -109552.5754 297.1755 -161262.1344 -109193.0077 299.2785 296.6321 326.8589 761122.6028 -0.6149 -0.7082 PRESSURE: 2680200 343.247 24.835 -169.898 24.8346 294.585 53.13 -169.899 53.1301 280.392 GPRESSURE: 2680200 341.839 109.427 -121.489 -25.9522 324.748 102.13 -122.55 -110.1 333.975 PRESSAVG: 2680200 -2.45915 9.25739 -6.68956 9.2574 2.44216 0.747265 -6.68965 0.747312 -1.81208 GPRESSAVG: 2680200 -0.684464 9.18384 -8.50877 9.60838 1.38938 0.109199 -4.67044 0.780325 -2.02313 TIMING: 2680200 CPU: 8465.15, 0.00314387/step Wall: 8465.15, 0.00314387/step, 2.02587 hours remaining, 235.398438 MB of memory in use. ENERGY: 2680200 3951.2571 20340.8312 14565.9651 249.2426 -203546.3692 2615.4327 0.0000 0.0000 52320.0638 -109503.5767 300.6841 -161823.6405 -109148.8010 298.6164 306.0747 333.5208 760438.5152 -0.6097 -0.4394 LDB: ============= START OF LOAD BALANCING ============== 8477.68 LDB: ============== END OF LOAD BALANCING =============== 8477.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8477.68 LDB: ============= START OF LOAD BALANCING ============== 8478 LDB: Largest compute 7026 load 0.030334 is 15.5% of average load 0.195566 LDB: Average compute 0.004378 is 2.2% of average load 0.195566 LDB: TIME 8478 LOAD: AVG 0.195566 MAX 0.213789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.07 MB LDB: TIME 8478 LOAD: AVG 0.195566 MAX 0.213789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: TIME 8478 LOAD: AVG 0.195566 MAX 0.213789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.273 MB LDB: ============== END OF LOAD BALANCING =============== 8478 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8478.01 PRESSURE: 2680400 384.878 -206.061 67.86 -206.062 94.5433 132.008 67.8595 132.009 279.855 GPRESSURE: 2680400 342.377 -128.784 71.4344 -178.785 208.209 196.927 29.4014 146.223 291.418 PRESSAVG: 2680400 15.2596 -87.6732 3.73121 -87.6732 36.7368 11.9456 3.73117 11.9457 6.21065 GPRESSAVG: 2680400 13.8642 -88.0514 5.14985 -86.0867 37.804 13.1689 1.8746 12.6634 6.59509 TIMING: 2680400 CPU: 8465.79, 0.00319993/step Wall: 8465.79, 0.00319993/step, 2.06182 hours remaining, 235.132812 MB of memory in use. ENERGY: 2680400 3947.5773 20363.5331 14383.9050 234.4716 -203606.3265 3002.6400 0.0000 0.0000 52129.3108 -109544.8887 299.5879 -161674.1995 -109180.0728 298.8806 253.0921 280.6680 761043.4310 19.4024 19.4211 PRESSURE: 2680600 -818.794 71.5625 -182.817 71.5626 -287.216 -324.616 -182.818 -324.615 -491.51 GPRESSURE: 2680600 -635.219 162.115 -107.327 178.802 -400.411 -272.813 -88.1938 -321.551 -489.771 PRESSAVG: 2680600 -33.8559 -71.2223 -0.762762 -71.2224 -14.1623 -47.0026 -0.762792 -47.0026 2.41222 GPRESSAVG: 2680600 -31.7377 -71.3813 -1.98342 -71.1213 -15.4214 -46.854 0.898839 -47.2661 1.38043 TIMING: 2680600 CPU: 8466.42, 0.00313511/step Wall: 8466.42, 0.00313511/step, 2.01988 hours remaining, 235.335938 MB of memory in use. ENERGY: 2680600 4021.7262 20485.2835 14450.5686 240.2293 -202862.5217 2067.9434 0.0000 0.0000 51928.8441 -109667.9265 298.4358 -161596.7706 -109316.1947 298.2473 -532.5066 -508.4668 762813.1030 -15.2020 -15.2595 PRESSURE: 2680800 201.064 -20.8144 -29.1157 -20.8145 285.735 118.176 -29.1166 118.176 115.82 GPRESSURE: 2680800 176.528 16.2469 -80.7348 -98.7322 387.622 59.975 91.0613 117.923 133.478 PRESSAVG: 2680800 -53.6005 -95.2731 45.4206 -95.2732 48.4511 -20.2007 45.4206 -20.2006 -12.9968 GPRESSAVG: 2680800 -55.4524 -95.2368 45.5362 -97.5449 49.3777 -18.7549 47.4246 -21.7917 -11.4349 TIMING: 2680800 CPU: 8467.04, 0.00314024/step Wall: 8467.04, 0.00314024/step, 2.02301 hours remaining, 235.335938 MB of memory in use. ENERGY: 2680800 3932.3545 20386.6225 14477.4854 253.0805 -203295.9387 2838.7796 0.0000 0.0000 51605.5022 -109802.1140 296.5775 -161407.6161 -109452.8052 298.2574 200.8731 232.5430 761445.0409 -6.0487 -5.8365 PRESSURE: 2681000 282.21 -39.2471 33.5519 -39.2483 367.756 91.9179 33.5521 91.9182 339.242 GPRESSURE: 2681000 426.678 12.9994 47.4808 -108.579 329.573 167.703 45.0438 46.349 307.337 PRESSAVG: 2681000 -37.9261 -6.61971 44.3809 -6.6198 81.9201 36.9598 44.3809 36.9597 6.27675 GPRESSAVG: 2681000 -37.2237 -6.54174 44.3882 -7.03447 81.5512 34.4842 41.1861 40.2358 6.12799 TIMING: 2681000 CPU: 8467.67, 0.00315101/step Wall: 8467.67, 0.00315101/step, 2.02978 hours remaining, 235.335938 MB of memory in use. ENERGY: 2681000 3933.2781 20429.6753 14462.4507 262.2710 -203939.0377 3047.0868 0.0000 0.0000 51884.1473 -109920.1286 298.1789 -161804.2758 -109560.8396 297.7446 329.7361 354.5292 759052.1093 16.7569 16.8185 PRESSURE: 2681200 -176.834 -54.9303 -76.6064 -54.9304 -17.7716 -147.24 -76.6067 -147.238 -196.02 GPRESSURE: 2681200 -125.864 -40.3457 -193.286 -61.5386 -7.28666 -114.594 2.84308 -120.991 -155.961 PRESSAVG: 2681200 -8.83528 26.9215 34.1729 26.9215 14.131 -28.1157 34.1728 -28.1156 -2.03016 GPRESSAVG: 2681200 -7.90793 26.961 34.9228 28.4071 13.3569 -28.4426 33.0604 -28.9426 -2.13491 TIMING: 2681200 CPU: 8468.3, 0.0031458/step Wall: 8468.3, 0.0031458/step, 2.02625 hours remaining, 235.335938 MB of memory in use. ENERGY: 2681200 3938.1218 20399.2529 14453.8892 250.6451 -203209.3551 2420.8232 0.0000 0.0000 51816.6858 -109929.9370 297.7912 -161746.6228 -109561.4904 297.7904 -130.2086 -96.3703 763676.4201 1.0885 1.1047 PRESSURE: 2681400 -53.3547 -203.31 -133.888 -203.31 37.7293 -68.3373 -133.888 -68.337 -125.654 GPRESSURE: 2681400 -7.10106 -145.795 -113.312 -43.3449 67.1054 -98.1273 -163.174 -25.2509 -112.258 PRESSAVG: 2681400 -25.432 -34.507 20.7915 -34.507 -5.40121 -1.18692 20.7915 -1.18691 -8.33321 GPRESSAVG: 2681400 -26.4852 -33.9167 18.8659 -34.9756 -4.17504 -0.0968907 23.1692 -1.07457 -9.22088 TIMING: 2681400 CPU: 8468.93, 0.00314199/step Wall: 8468.93, 0.00314199/step, 2.02362 hours remaining, 235.335938 MB of memory in use. ENERGY: 2681400 3996.9934 20357.7797 14433.5887 238.5958 -203654.4833 2716.6132 0.0000 0.0000 51932.6688 -109978.2437 298.4578 -161910.9125 -109604.1131 297.7193 -47.0931 -17.4180 761697.2766 -13.0555 -13.2937 PRESSURE: 2681600 288.376 -0.728909 36.9919 -0.729663 414.669 56.8348 36.9911 56.8345 217.517 GPRESSURE: 2681600 300.543 39.1458 33.5046 62.1655 419.264 14.309 -54.098 4.82798 291.12 PRESSAVG: 2681600 0.498184 0.332805 63.9095 0.332824 21.9577 19.4061 63.9095 19.4061 18.585 GPRESSAVG: 2681600 0.104751 -1.26446 64.5622 2.29046 21.4407 22.0259 62.4873 17.2158 19.8103 TIMING: 2681600 CPU: 8469.56, 0.00313989/step Wall: 8469.56, 0.00313989/step, 2.02209 hours remaining, 235.335938 MB of memory in use. ENERGY: 2681600 3954.5428 20361.7665 14442.4027 224.9134 -203389.4376 2581.7363 0.0000 0.0000 51889.8404 -109934.2356 298.2116 -161824.0759 -109574.8132 297.5506 306.8540 336.9758 762509.9926 13.6803 13.7853 PRESSURE: 2681800 9.62892 176.023 188.495 176.024 162.962 43.9024 188.494 43.9021 83.7453 GPRESSURE: 2681800 44.0574 53.1698 157.634 144.845 144.324 -5.05191 154.241 134.722 151.092 PRESSAVG: 2681800 -2.12968 -28.0544 61.896 -28.0544 13.2996 10.0688 61.8961 10.0688 -21.9798 GPRESSAVG: 2681800 -2.06779 -27.1539 61.4456 -28.3963 12.0627 7.71243 62.5631 13.5989 -20.9144 TIMING: 2681800 CPU: 8470.19, 0.003139/step Wall: 8470.19, 0.003139/step, 2.02134 hours remaining, 235.335938 MB of memory in use. ENERGY: 2681800 3989.8074 20329.8878 14463.9670 246.5278 -203616.6701 2864.0785 0.0000 0.0000 51891.1592 -109831.2423 298.2192 -161722.4015 -109474.6716 297.8724 85.4455 113.1579 761803.7413 -3.6033 -3.6398 PRESSURE: 2682000 -98.0012 -55.2099 95.0784 -55.2093 141.882 79.2047 95.0784 79.2057 -96.0409 GPRESSURE: 2682000 23.6499 -64.1781 138.844 1.51399 121.556 137.833 10.2095 96.3045 -118.001 PRESSAVG: 2682000 -2.55617 -44.8558 13.5884 -44.8557 -41.4617 20.0289 13.5884 20.0289 -16.0778 GPRESSAVG: 2682000 -0.410238 -45.6871 14.4315 -46.0973 -40.3546 20.5815 13.4042 18.4129 -18.6534 TIMING: 2682000 CPU: 8470.82, 0.00313962/step Wall: 8470.82, 0.00313962/step, 2.02156 hours remaining, 235.335938 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: 2682000 4006.9794 20435.0544 14435.1565 242.9277 -203291.5116 2670.9184 0.0000 0.0000 51635.3914 -109865.0839 296.7493 -161500.4752 -109511.4695 298.0948 -17.3868 9.0683 762229.7555 -20.0319 -19.8061 PRESSURE: 2682200 287.435 56.9441 -137.288 56.9438 313.921 -175.38 -137.288 -175.377 159.7 GPRESSURE: 2682200 335.04 12.7354 -91.1329 3.83373 296.458 -179.362 -132.675 -221.577 216.525 PRESSAVG: 2682200 -12.1291 -39.869 -14.0074 -39.869 30.6325 -5.25922 -14.0074 -5.25931 1.15919 GPRESSAVG: 2682200 -12.8583 -37.0464 -14.045 -40.9643 30.7813 -6.60527 -13.368 -4.30707 1.93859 TIMING: 2682200 CPU: 8471.45, 0.00315268/step Wall: 8471.45, 0.00315268/step, 2.0298 hours remaining, 235.335938 MB of memory in use. ENERGY: 2682200 3967.1966 20376.5449 14437.0312 266.2720 -203703.0491 2812.7797 0.0000 0.0000 51776.1558 -110067.0689 297.5583 -161843.2247 -109708.8444 297.7587 253.6855 282.6741 761698.9904 6.5542 6.6205 PRESSURE: 2682400 -92.4274 34.5514 -70.0401 34.5515 -44.1894 -115.644 -70.0396 -115.645 96.816 GPRESSURE: 2682400 46.9146 -52.2435 -94.1064 -13.2017 -104.54 -53.6506 -122.382 -84.687 102.05 PRESSAVG: 2682400 -16.246 -18.533 36.1467 -18.5331 -17.4272 27.5916 36.1468 27.5915 -5.83097 GPRESSAVG: 2682400 -17.4658 -21.3547 35.0036 -16.9726 -17.3774 29.67 34.8638 26.2347 -4.31887 TIMING: 2682400 CPU: 8472.08, 0.00315283/step Wall: 8472.08, 0.00315283/step, 2.02972 hours remaining, 235.335938 MB of memory in use. ENERGY: 2682400 3905.2456 20498.4986 14396.7331 229.2733 -203173.9812 2640.7023 0.0000 0.0000 51678.3767 -109825.1516 296.9963 -161503.5283 -109463.8906 297.8684 -13.2669 14.8079 762936.7055 -13.1680 -13.0540 PRESSURE: 2682600 -262.151 -194.091 36.4501 -194.091 7.32434 -78.9952 36.4508 -78.9948 270.729 GPRESSURE: 2682600 -158.263 -158.921 98.7842 -157.645 -15.7361 20.0624 54.4058 -78.6913 280.565 PRESSAVG: 2682600 4.13842 37.5327 9.62798 37.5328 -13.6114 34.562 9.62802 34.562 9.25676 GPRESSAVG: 2682600 4.57229 38.2798 9.88479 36.5479 -13.2029 32.8311 10.3363 36.3657 8.55105 TIMING: 2682600 CPU: 8472.7, 0.00313717/step Wall: 8472.7, 0.00313717/step, 2.01947 hours remaining, 235.335938 MB of memory in use. ENERGY: 2682600 3942.6296 20375.5472 14480.3627 238.0971 -203490.3542 2686.9042 0.0000 0.0000 51745.4462 -110021.3671 297.3818 -161766.8133 -109652.6955 297.9412 5.3009 35.5222 760987.7086 -0.0721 -0.0265 PRESSURE: 2682800 -12.32 -325.584 125.792 -325.585 -368.995 -93.0088 125.792 -93.0086 -246.279 GPRESSURE: 2682800 -48.1091 -352.192 155.268 -273.674 -300.157 -237.312 37.1145 41.0268 -193.113 PRESSAVG: 2682800 8.0736 -4.02824 26.3009 -4.02824 -25.3594 -1.44236 26.3008 -1.44237 -30.9941 GPRESSAVG: 2682800 7.91046 -4.46173 27.9375 -5.40624 -25.1623 -1.82725 24.9453 -1.08736 -31.4507 TIMING: 2682800 CPU: 8473.33, 0.00313336/step Wall: 8473.33, 0.00313336/step, 2.01684 hours remaining, 235.335938 MB of memory in use. ENERGY: 2682800 3986.9379 20473.4902 14433.5094 244.7501 -203717.3028 2803.2909 0.0000 0.0000 51821.6653 -109953.6590 297.8198 -161775.3243 -109588.5966 297.7431 -209.1980 -180.4594 761581.4341 -16.0933 -16.2342 PRESSURE: 2683000 85.0254 110.851 207.228 110.851 40.0213 147.893 207.228 147.894 57.7933 GPRESSURE: 2683000 38.7739 136.66 92.253 132.644 136.199 179.954 168.874 140.923 79.6093 PRESSAVG: 2683000 27.6222 -24.1516 73.0869 -24.1517 -54.5964 -30.2494 73.0868 -30.2495 29.5966 GPRESSAVG: 2683000 27.4791 -23.0337 71.1878 -24.4049 -54.9475 -29.2801 74.5627 -30.1922 30.1497 TIMING: 2683000 CPU: 8473.96, 0.00314832/step Wall: 8473.96, 0.00314832/step, 2.02629 hours remaining, 235.335938 MB of memory in use. ENERGY: 2683000 3932.6196 20454.8397 14415.3092 253.5512 -203826.2584 2892.4260 0.0000 0.0000 51768.4783 -110109.0343 297.5142 -161877.5126 -109758.6968 298.2334 60.9467 84.8609 762053.8716 0.8742 0.8938 PRESSURE: 2683200 -154.405 -185.575 -2.4542 -185.575 96.7001 -126.35 -2.45327 -126.35 12.0825 GPRESSURE: 2683200 -80.7822 -149.814 51.7102 -335.194 77.2641 -161.776 -110.544 -11.2144 43.4012 PRESSAVG: 2683200 15.89 -6.9925 7.98135 -6.99251 -14.7748 8.29314 7.9814 8.29312 -18.6954 GPRESSAVG: 2683200 15.6285 -7.16817 9.58014 -4.86038 -14.272 7.64548 6.38169 6.971 -19.005 TIMING: 2683200 CPU: 8474.59, 0.00312947/step Wall: 8474.59, 0.00312947/step, 2.01399 hours remaining, 235.335938 MB of memory in use. ENERGY: 2683200 3891.4298 20395.8796 14445.0848 238.6678 -203251.9819 2473.1710 0.0000 0.0000 51913.9949 -109893.7540 298.3504 -161807.7490 -109523.5619 297.8115 -15.2074 13.2944 761612.1720 -5.8601 -5.8828 PRESSURE: 2683400 -462.181 -2.64465 55.9539 -2.64475 354.179 216.723 55.9541 216.723 52.3946 GPRESSURE: 2683400 -265.457 22.7832 52.5103 -0.768504 295.176 232.406 119.409 128.213 8.46688 PRESSAVG: 2683400 -79.4047 -12.6643 13.5652 -12.6643 51.8869 8.38098 13.5652 8.38098 6.8347 GPRESSAVG: 2683400 -77.4804 -11.3049 14.5954 -13.7582 51.2138 8.87308 13.5539 10.0774 6.64967 TIMING: 2683400 CPU: 8475.21, 0.00313956/step Wall: 8475.21, 0.00313956/step, 2.0203 hours remaining, 235.335938 MB of memory in use. ENERGY: 2683400 3948.0202 20483.7432 14399.1820 245.9184 -203736.6573 2794.4966 0.0000 0.0000 52082.5917 -109782.7050 299.3194 -161865.2968 -109417.1663 298.5654 -18.5360 12.7286 758880.2436 -6.8944 -6.5390 PRESSURE: 2683600 -299.787 -47.41 -458.645 -47.4095 -392.052 8.5329 -458.646 8.53196 -95.0214 GPRESSURE: 2683600 -184.835 33.7624 -476.053 -10.6338 -418.92 38.9045 -295.291 23.4123 -90.9567 PRESSAVG: 2683600 4.82756 -6.57962 -55.8024 -6.57962 35.5143 -2.05061 -55.8024 -2.05058 5.77029 GPRESSAVG: 2683600 4.95757 -9.56205 -56.8225 -4.00295 34.6116 -2.56591 -53.7846 -1.86862 6.31244 TIMING: 2683600 CPU: 8475.85, 0.00315698/step Wall: 8475.85, 0.00315698/step, 2.03134 hours remaining, 235.335938 MB of memory in use. ENERGY: 2683600 3944.0723 20495.4734 14424.5471 253.2552 -203173.4965 2268.7377 0.0000 0.0000 52092.0099 -109695.4010 299.3735 -161787.4109 -109327.8087 298.7462 -262.2869 -231.5707 761178.1696 15.3707 15.2939 PRESSURE: 2683800 89.3799 111.733 21.8543 111.733 -17.2758 -155.103 21.8555 -155.105 272.746 GPRESSURE: 2683800 88.1809 72.8324 -35.3032 69.4122 55.3442 -142.418 -17.1308 -149.81 274.999 PRESSAVG: 2683800 14.799 -0.243722 -22.2061 -0.243787 1.48598 11.0138 -22.2061 11.0138 -11.8847 GPRESSAVG: 2683800 13.5888 0.674948 -22.0184 -0.864986 3.04885 11.5388 -23.4338 9.2932 -12.8055 TIMING: 2683800 CPU: 8476.48, 0.00315896/step Wall: 8476.48, 0.00315896/step, 2.03244 hours remaining, 235.335938 MB of memory in use. ENERGY: 2683800 3929.0452 20526.3846 14492.7611 251.8123 -203351.1165 2446.9240 0.0000 0.0000 51972.5034 -109731.6859 298.6867 -161704.1893 -109370.2058 298.3852 114.9501 139.5080 759600.9903 1.4668 1.2774 PRESSURE: 2684000 128.347 -11.0103 -271.085 -11.0105 365.246 -9.62414 -271.083 -9.62335 102.161 GPRESSURE: 2684000 240.582 -31.9504 -307.188 -13.3314 395.418 -21.1034 -296.864 12.9004 64.6037 PRESSAVG: 2684000 8.49138 -25.5762 -10.2817 -25.5762 50.4371 11.0882 -10.2817 11.0882 6.38388 GPRESSAVG: 2684000 9.45744 -26.2116 -11.0742 -25.2297 50.0336 12.1175 -9.02258 10.7682 5.83654 TIMING: 2684000 CPU: 8477.11, 0.00315354/step Wall: 8477.11, 0.00315354/step, 2.02878 hours remaining, 235.335938 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: 2684000 3950.5003 20274.0567 14431.9135 231.8832 -203412.7890 2667.8216 0.0000 0.0000 52099.7700 -109756.8438 299.4181 -161856.6137 -109382.5274 298.4731 198.5849 233.5346 758291.4844 21.7708 21.7759 PRESSURE: 2684200 120.207 313.101 108.514 313.102 -357.78 87.3588 108.514 87.3594 -92.9523 GPRESSURE: 2684200 109.257 266.118 30.351 183.017 -219.786 -13.746 134.492 88.712 -115.297 PRESSAVG: 2684200 40.5919 -58.0395 -19.6673 -58.0394 3.60434 38.2994 -19.6672 38.2993 -26.2691 GPRESSAVG: 2684200 40.3778 -57.0118 -18.7041 -59.2901 3.36724 36.9199 -21.0006 39.5517 -26.0126 TIMING: 2684200 CPU: 8477.74, 0.00314165/step Wall: 8477.74, 0.00314165/step, 2.02095 hours remaining, 235.335938 MB of memory in use. ENERGY: 2684200 4032.1750 20302.4898 14407.2739 258.3906 -203195.4483 2422.8846 0.0000 0.0000 52077.5726 -109694.6618 299.2905 -161772.2345 -109323.7650 298.6062 -110.1751 -75.2753 761384.0820 5.9757 5.9108 LDB: ============= START OF LOAD BALANCING ============== 8490.27 LDB: ============== END OF LOAD BALANCING =============== 8490.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8490.27 LDB: ============= START OF LOAD BALANCING ============== 8490.58 LDB: Largest compute 7077 load 0.032261 is 16.5% of average load 0.195439 LDB: Average compute 0.004406 is 2.3% of average load 0.195439 LDB: TIME 8490.59 LOAD: AVG 0.195439 MAX 0.213412 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.414 MB LDB: TIME 8490.59 LOAD: AVG 0.195439 MAX 0.213412 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.484 MB LDB: TIME 8490.59 LOAD: AVG 0.195439 MAX 0.213412 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.484 MB LDB: ============== END OF LOAD BALANCING =============== 8490.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8490.59 PRESSURE: 2684400 -178.701 0.438773 -102.219 0.438258 -466.149 17.717 -102.219 17.7171 23.2717 GPRESSURE: 2684400 -120.169 -22.3355 -39.8877 -35.591 -376.313 -37.4556 -27.1606 107.756 -18.1006 PRESSAVG: 2684400 45.5584 -56.1289 -2.16837 -56.1289 -20.8108 -11.8033 -2.1683 -11.8033 12.1719 GPRESSAVG: 2684400 44.5943 -56.6169 -2.7456 -56.318 -20.557 -12.2024 1.23125 -12.3296 13.2255 TIMING: 2684400 CPU: 8478.38, 0.00320284/step Wall: 8478.38, 0.00320284/step, 2.06014 hours remaining, 234.593750 MB of memory in use. ENERGY: 2684400 3957.2920 20451.4240 14390.8651 238.0839 -203006.3488 2339.4492 0.0000 0.0000 52030.2545 -109598.9800 299.0186 -161629.2345 -109234.7410 299.2359 -207.1927 -171.5276 761816.1329 12.3065 12.4209 PRESSURE: 2684600 -254.661 97.0568 59.7528 97.0565 47.7934 -0.664376 59.753 -0.665588 -391.72 GPRESSURE: 2684600 -254.448 104.954 65.6959 86.0682 55.4839 -18.1708 70.5563 35.93 -310.23 PRESSAVG: 2684600 19.9216 6.03606 6.01792 6.03612 -45.5499 -0.648733 6.01787 -0.648726 29.0255 GPRESSAVG: 2684600 20.8099 6.6407 5.94438 5.83923 -45.4833 0.929461 5.46035 -0.937477 28.0931 TIMING: 2684600 CPU: 8479.01, 0.00314923/step Wall: 8479.01, 0.00314923/step, 2.02548 hours remaining, 234.796875 MB of memory in use. ENERGY: 2684600 3926.4811 20545.6023 14399.9697 228.8452 -202946.1665 2434.1032 0.0000 0.0000 51942.5776 -109468.5873 298.5147 -161411.1650 -109103.3122 299.1749 -199.5294 -169.7313 762682.8247 1.1324 1.1399 PRESSURE: 2684800 -127.948 -131.709 -73.4883 -131.709 -159.149 190.207 -73.4885 190.206 118.625 GPRESSURE: 2684800 -40.5043 -63.5916 -82.1724 -154.736 -144.169 245.715 -46.9585 182.353 109.106 PRESSAVG: 2684800 32.2828 -11.665 -15.2754 -11.665 -18.9648 22.2308 -15.2754 22.2308 -3.29825 GPRESSAVG: 2684800 32.0302 -11.0294 -15.5642 -11.3313 -18.415 21.7944 -16.0184 21.1827 -3.024 TIMING: 2684800 CPU: 8479.63, 0.00313103/step Wall: 8479.63, 0.00313103/step, 2.0136 hours remaining, 234.796875 MB of memory in use. ENERGY: 2684800 3986.7856 20641.7253 14442.0184 238.1088 -203232.3840 2519.5159 0.0000 0.0000 51929.7900 -109474.4399 298.4412 -161404.2300 -109123.2690 298.7547 -56.1575 -25.1890 759850.5982 3.3399 3.5304 PRESSURE: 2685000 157.344 17.6098 -110.036 17.6095 169.336 -206.633 -110.036 -206.633 512.167 GPRESSURE: 2685000 235.307 -35.9539 -133.509 -86.9984 184.329 -226.031 -53.0521 -233.679 472.752 PRESSAVG: 2685000 1.19117 -53.1371 -53.6952 -53.1371 23.1446 31.8016 -53.6952 31.8015 -13.7933 GPRESSAVG: 2685000 1.96388 -54.1702 -52.0317 -54.0201 22.6432 29.8931 -54.0177 31.8472 -14.8025 TIMING: 2685000 CPU: 8480.26, 0.00315011/step Wall: 8480.26, 0.00315011/step, 2.02569 hours remaining, 234.796875 MB of memory in use. ENERGY: 2685000 3995.2286 20495.8072 14438.7181 239.1107 -202966.9065 2370.8323 0.0000 0.0000 52014.4306 -109412.7791 298.9276 -161427.2097 -109040.1472 298.9255 279.6157 297.4629 759852.6757 3.5141 3.2682 PRESSURE: 2685200 -4.63798 -214.224 -65.23 -214.225 185.693 381.055 -65.23 381.056 272.798 GPRESSURE: 2685200 -24.3486 -265.225 -82.8378 -126.884 225.363 394.124 -59.7944 378.179 346.132 PRESSAVG: 2685200 8.75073 -2.50325 -34.3516 -2.50326 -10.7344 19.2175 -34.3516 19.2175 17.782 GPRESSAVG: 2685200 8.67426 -3.95304 -35.3168 1.11247 -12.1904 20.6662 -32.8769 19.1424 19.0432 TIMING: 2685200 CPU: 8480.89, 0.00315491/step Wall: 8480.89, 0.00315491/step, 2.02861 hours remaining, 234.796875 MB of memory in use. ENERGY: 2685200 3992.7386 20464.0886 14482.7553 242.0494 -203009.0436 2408.3113 0.0000 0.0000 52094.3892 -109324.7111 299.3872 -161419.1003 -108951.8271 299.4502 151.2842 182.3821 760906.6616 5.2661 5.1757 PRESSURE: 2685400 38.2795 -27.9972 88.1134 -27.9974 -163.827 -268.863 88.1125 -268.863 233.296 GPRESSURE: 2685400 -13.5181 -89.9466 175.624 -113.838 37.8234 -237.573 230.921 -178.852 168.899 PRESSAVG: 2685400 17.023 -11.872 -23.6283 -11.872 -24.006 31.975 -23.6283 31.975 -7.89527 GPRESSAVG: 2685400 15.8692 -10.741 -22.5068 -13.0415 -22.4426 33.0762 -24.7152 32.9313 -8.76703 TIMING: 2685400 CPU: 8481.53, 0.00316098/step Wall: 8481.53, 0.00316098/step, 2.03234 hours remaining, 234.796875 MB of memory in use. ENERGY: 2685400 3905.7420 20516.4952 14448.4127 228.4274 -203601.1764 2949.6661 0.0000 0.0000 52037.4960 -109514.9370 299.0602 -161552.4330 -109147.1087 299.1791 35.9160 64.4015 762975.1933 -4.9594 -5.1135 PRESSURE: 2685600 -288.691 -8.7547 -158.868 -8.75414 -173.922 -55.8214 -158.869 -55.8209 -348.369 GPRESSURE: 2685600 -140.061 -13.5508 -189.207 69.855 -254.717 -92.9074 -226.694 -76.6146 -325.059 PRESSAVG: 2685600 53.7187 -48.5445 -19.5047 -48.5445 -18.0467 64.7065 -19.5047 64.7065 -20.1793 GPRESSAVG: 2685600 53.9994 -47.5698 -20.6854 -49.4853 -19.0108 64.4222 -19.0802 64.0078 -19.8298 TIMING: 2685600 CPU: 8482.16, 0.00316562/step Wall: 8482.16, 0.00316562/step, 2.03514 hours remaining, 234.796875 MB of memory in use. ENERGY: 2685600 3992.2352 20521.4986 14531.2349 239.9177 -203259.9145 2501.6023 0.0000 0.0000 52091.8701 -109381.5557 299.3727 -161473.4258 -109012.6377 299.5079 -270.3271 -239.9458 762329.3381 5.1642 5.0529 PRESSURE: 2685800 -68.9965 190.064 -265.345 190.065 -330.948 56.1082 -265.345 56.1075 -207.193 GPRESSURE: 2685800 -81.4838 234.798 -190.957 227.897 -340.685 42.1924 -195.11 168.092 -81.351 PRESSAVG: 2685800 27.3417 -7.57933 -11.5995 -7.57932 -44.5075 59.5282 -11.5995 59.5281 6.64275 GPRESSAVG: 2685800 28.0225 -7.0984 -9.99974 -6.75611 -44.2141 56.9979 -13.0446 60.8248 5.82856 TIMING: 2685800 CPU: 8482.79, 0.00314568/step Wall: 8482.79, 0.00314568/step, 2.02215 hours remaining, 234.796875 MB of memory in use. ENERGY: 2685800 3974.5693 20494.7739 14391.2282 257.6421 -203330.8491 2601.8828 0.0000 0.0000 52123.5262 -109487.2266 299.5546 -161610.7528 -109120.8746 299.5070 -202.3790 -167.8401 762526.9848 -3.5077 -3.4543 PRESSURE: 2686000 137.858 -30.3798 16.7881 -30.3794 281.458 -176.596 16.7897 -176.596 236.206 GPRESSURE: 2686000 181.989 39.9731 108.427 -46.6064 309.367 -195.195 166.301 -176.024 245.818 PRESSAVG: 2686000 92.5355 -1.81596 19.1372 -1.81591 -81.0811 -28.1578 19.1371 -28.1578 -12.1193 GPRESSAVG: 2686000 92.278 -1.05345 18.9083 -3.85652 -80.7187 -25.7817 21.2263 -29.4421 -12.1611 TIMING: 2686000 CPU: 8483.42, 0.00315807/step Wall: 8483.42, 0.00315807/step, 2.02994 hours remaining, 234.796875 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: 2686000 3979.2156 20496.4276 14415.3227 245.6825 -203327.6903 2657.6803 0.0000 0.0000 52046.8706 -109486.4910 299.1141 -161533.3616 -109121.3932 299.1409 218.5074 245.7245 760983.7413 -0.2216 -0.2006 PRESSURE: 2686200 -187.26 -19.4532 50.6021 -19.4537 -90.0047 102.883 50.6013 102.884 -71.9113 GPRESSURE: 2686200 -153.581 -138.734 68.3303 122.924 -95.0706 103.744 85.8856 -14.1378 -23.2576 PRESSAVG: 2686200 91.2178 -15.8568 8.02808 -15.8569 -45.2715 19.9815 8.02808 19.9815 -0.669309 GPRESSAVG: 2686200 91.6021 -16.2035 7.67995 -11.56 -45.9519 19.4692 7.18569 18.9755 0.0131254 TIMING: 2686200 CPU: 8484.05, 0.0031673/step Wall: 8484.05, 0.0031673/step, 2.0357 hours remaining, 234.796875 MB of memory in use. ENERGY: 2686200 3915.7453 20572.7662 14455.8707 240.0034 -203323.8685 2481.4935 0.0000 0.0000 52267.4103 -109390.5792 300.3815 -161657.9895 -109018.4765 299.1769 -116.3921 -90.6364 763655.5893 15.0923 15.2211 PRESSURE: 2686400 54.8243 60.1303 -46.5119 60.1295 -310.884 -101.23 -46.5113 -101.232 -192.535 GPRESSURE: 2686400 55.6975 60.8074 -72.1335 -124.457 -306.575 -92.1488 -74.0736 -163.955 -124.971 PRESSAVG: 2686400 48.995 -62.4236 -0.899905 -62.4236 -52.0469 11.0742 -0.89987 11.074 -7.56807 GPRESSAVG: 2686400 49.9912 -63.6104 -0.759622 -64.8099 -52.6254 12.803 -1.32149 9.88095 -7.35916 TIMING: 2686400 CPU: 8484.69, 0.00315674/step Wall: 8484.69, 0.00315674/step, 2.02873 hours remaining, 234.796875 MB of memory in use. ENERGY: 2686400 4023.6363 20528.0552 14400.8752 222.8299 -203098.5228 2510.4055 0.0000 0.0000 52101.0355 -109311.6852 299.4254 -161412.7207 -108953.5324 299.3395 -149.5318 -125.2826 764330.2311 -3.5400 -3.3311 PRESSURE: 2686600 206.798 -2.94073 2.87203 -2.94037 -316.948 9.9055 2.8726 9.90632 -68.37 GPRESSURE: 2686600 222.117 -53.2946 47.1911 96.2963 -294.734 -41.0045 57.3895 3.23524 -19.966 PRESSAVG: 2686600 53.2839 1.5892 -23.8987 1.58919 -55.5029 -5.23036 -23.8987 -5.23038 18.9187 GPRESSAVG: 2686600 52.8755 4.26304 -24.122 1.70606 -55.0502 -7.52599 -22.8664 -3.53255 18.9665 TIMING: 2686600 CPU: 8485.31, 0.00312894/step Wall: 8485.31, 0.00312894/step, 2.01069 hours remaining, 234.796875 MB of memory in use. ENERGY: 2686600 3960.4924 20594.9212 14414.1231 255.6056 -203349.1501 2729.3766 0.0000 0.0000 51874.7215 -109519.9097 298.1247 -161394.6312 -109163.6473 298.9116 -59.5066 -30.8612 761901.3809 5.5666 5.5973 PRESSURE: 2686800 93.4369 226.821 112.45 226.821 74.6228 -156.915 112.451 -156.915 124.389 GPRESSURE: 2686800 86.1506 93.3812 152.817 172.182 66.2313 -14.6877 -28.3975 -102.284 220.414 PRESSAVG: 2686800 22.6314 -43.3227 42.1045 -43.3227 -59.594 -1.08614 42.1045 -1.08606 4.30255 GPRESSAVG: 2686800 21.8942 -46.0975 40.3257 -42.9859 -58.0123 0.13589 43.3372 -1.63201 4.05846 TIMING: 2686800 CPU: 8485.94, 0.00314017/step Wall: 8485.94, 0.00314017/step, 2.01774 hours remaining, 234.796875 MB of memory in use. ENERGY: 2686800 3984.4294 20382.4908 14486.8371 245.8228 -203888.8282 3155.3410 0.0000 0.0000 52088.1928 -109545.7143 299.3516 -161633.9071 -109181.3553 298.6893 97.4830 124.2653 762986.8138 -10.8867 -10.6866 PRESSURE: 2687000 259.88 -126.549 -212.203 -126.549 -300.3 9.54024 -212.203 9.5397 -265.608 GPRESSURE: 2687000 174.863 -82.613 -254.924 -83.8487 -243.468 -18.689 -203.447 236.208 -178.722 PRESSAVG: 2687000 -2.77331 -33.8971 -42.3114 -33.897 32.0695 17.0262 -42.3114 17.0262 -15.8423 GPRESSAVG: 2687000 -3.58462 -34.269 -40.9309 -33.6079 31.5605 15.6412 -44.1151 19.7404 -15.1718 TIMING: 2687000 CPU: 8486.57, 0.00314714/step Wall: 8486.57, 0.00314714/step, 2.02204 hours remaining, 234.796875 MB of memory in use. ENERGY: 2687000 3968.4755 20557.1070 14481.2357 221.9125 -203544.3375 2783.0050 0.0000 0.0000 52150.1504 -109382.4514 299.7076 -161532.6018 -109024.2830 298.7831 -102.0094 -82.4426 764032.0774 4.4846 4.2680 PRESSURE: 2687200 207.908 57.7274 57.8167 57.7274 157.419 -298.678 57.8173 -298.678 -380.019 GPRESSURE: 2687200 234.544 75.562 29.9693 40.6162 182.224 -209.967 267.803 -236.196 -327.898 PRESSAVG: 2687200 -32.6895 -20.6653 -69.0105 -20.6653 13.4667 34.221 -69.0105 34.221 11.4909 GPRESSAVG: 2687200 -31.2274 -20.6651 -71.0057 -22.1625 13.6641 35.2859 -68.1652 30.9314 9.80664 TIMING: 2687200 CPU: 8487.2, 0.0031451/step Wall: 8487.2, 0.0031451/step, 2.02055 hours remaining, 234.796875 MB of memory in use. ENERGY: 2687200 4057.9242 20574.2181 14522.7271 258.1607 -203772.8524 2877.7101 0.0000 0.0000 52088.3912 -109393.7209 299.3527 -161482.1122 -109029.2433 299.1620 -4.8973 29.6232 763438.3697 -2.5773 -2.5855 PRESSURE: 2687400 121.679 -301.389 158.369 -301.389 -139.111 154.779 158.368 154.779 -53.6675 GPRESSURE: 2687400 23.261 -264.301 227.743 -277.985 47.6837 181.425 129.15 139.602 -50.2144 PRESSAVG: 2687400 21.7396 -49.886 9.0525 -49.886 9.66345 41.3162 9.05249 41.3162 -8.88869 GPRESSAVG: 2687400 19.9886 -46.3617 10.2118 -48.8114 10.3182 39.5535 9.48893 42.1289 -7.98928 TIMING: 2687400 CPU: 8487.83, 0.00315956/step Wall: 8487.83, 0.00315956/step, 2.02967 hours remaining, 234.796875 MB of memory in use. ENERGY: 2687400 3882.3582 20572.6798 14589.9293 256.1246 -203676.1760 2797.7477 0.0000 0.0000 52260.5219 -109316.8144 300.3419 -161577.3363 -108952.9354 299.3814 -23.6996 6.9101 763569.1196 7.5048 7.4392 PRESSURE: 2687600 503.994 -35.6822 -4.75933 -35.6827 178.921 -109.818 -4.76033 -109.819 259.042 GPRESSURE: 2687600 489.835 -63.6305 -13.5481 -79.5132 234.376 -165.762 -44.9026 -53.7277 292.438 PRESSAVG: 2687600 -6.33177 -61.6656 -12.8443 -61.6656 -77.8112 13.0249 -12.8443 13.0249 -3.30955 GPRESSAVG: 2687600 -5.19354 -62.6647 -12.7278 -61.7559 -78.6251 13.4398 -13.9589 13.1567 -3.92953 TIMING: 2687600 CPU: 8488.46, 0.00313694/step Wall: 8488.46, 0.00313694/step, 2.01496 hours remaining, 234.796875 MB of memory in use. ENERGY: 2687600 3938.4752 20522.9683 14518.3306 228.2005 -203668.5302 3011.8356 0.0000 0.0000 52097.8410 -109350.8791 299.4070 -161448.7202 -108988.7845 299.4699 313.9856 338.8829 763911.7890 -29.1508 -29.2494 PRESSURE: 2687800 4.23333 -78.1199 -167.486 -78.1195 113.613 -156.88 -167.486 -156.881 42.4177 GPRESSURE: 2687800 23.7956 -146.222 -217.624 49.9399 143.515 -182.595 -89.4341 -48.0189 83.2288 PRESSAVG: 2687800 14.6694 -75.2185 -0.844906 -75.2185 5.40377 -39.3532 -0.844931 -39.3533 -2.55038 GPRESSAVG: 2687800 14.2742 -75.366 -0.300913 -77.8349 5.1015 -37.8335 -1.36805 -40.111 -2.83798 TIMING: 2687800 CPU: 8489.08, 0.00313781/step Wall: 8489.08, 0.00313781/step, 2.01535 hours remaining, 234.796875 MB of memory in use. ENERGY: 2687800 4002.5164 20571.0894 14476.6345 265.1619 -203529.8869 2750.1558 0.0000 0.0000 52102.5157 -109361.8132 299.4339 -161464.3289 -108991.9677 299.2287 53.4213 83.5131 762209.8206 5.8409 5.5126 PRESSURE: 2688000 -306.896 -220.721 -221.662 -220.721 -224.477 -85.0332 -221.661 -85.0336 147.803 GPRESSURE: 2688000 -255.297 -168.856 -208.137 -281.483 -304.946 -47.0656 -197.29 69.6202 246.068 PRESSAVG: 2688000 24.3855 -54.4412 -31.8119 -54.4413 -25.9625 19.5245 -31.8119 19.5246 -13.133 GPRESSAVG: 2688000 23.4084 -53.6806 -31.7354 -53.6271 -26.8216 19.9866 -30.3415 23.2342 -11.6194 TIMING: 2688000 CPU: 8489.72, 0.00315658/step Wall: 8489.72, 0.00315658/step, 2.02723 hours remaining, 234.796875 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: 2688000 4032.3637 20526.6489 14466.9692 262.0753 -203653.4195 2710.1813 0.0000 0.0000 52243.5697 -109411.6113 300.2445 -161655.1810 -109067.9421 299.6002 -127.8566 -104.7248 761864.1285 -4.9033 -5.0109 PRESSURE: 2688200 -434.92 -110.674 21.7132 -110.675 145.793 -89.3068 21.7131 -89.3078 -13.8324 GPRESSURE: 2688200 -361.176 -55.2092 74.1762 -13.0741 153.848 -162.378 10.4078 -125.676 -9.54239 PRESSAVG: 2688200 -0.812289 -63.505 -27.768 -63.5051 27.6745 -11.787 -27.768 -11.787 28.8285 GPRESSAVG: 2688200 0.270713 -64.9363 -26.5576 -62.6637 27.7582 -13.8639 -28.9656 -14.3907 27.8464 TIMING: 2688200 CPU: 8490.34, 0.00313441/step Wall: 8490.34, 0.00313441/step, 2.01281 hours remaining, 234.796875 MB of memory in use. ENERGY: 2688200 3976.2004 20524.2618 14440.2280 257.4773 -203410.4249 2709.3472 0.0000 0.0000 51950.3710 -109552.5392 298.5595 -161502.9102 -109190.3252 299.3432 -100.9863 -72.2902 762624.3995 18.5636 18.6251 LDB: ============= START OF LOAD BALANCING ============== 8502.87 LDB: ============== END OF LOAD BALANCING =============== 8502.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8502.87 LDB: ============= START OF LOAD BALANCING ============== 8503.19 LDB: Largest compute 7077 load 0.032083 is 16.4% of average load 0.195460 LDB: Average compute 0.004400 is 2.3% of average load 0.195460 LDB: TIME 8503.19 LOAD: AVG 0.19546 MAX 0.211208 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.012 MB LDB: TIME 8503.19 LOAD: AVG 0.19546 MAX 0.211208 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: TIME 8503.19 LOAD: AVG 0.19546 MAX 0.211208 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.215 MB LDB: ============== END OF LOAD BALANCING =============== 8503.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8503.2 PRESSURE: 2688400 166.303 -166.644 -208.15 -166.643 -246.603 -0.737493 -208.15 -0.737655 -204.631 GPRESSURE: 2688400 54.0242 -187.555 -93.3774 -112.241 -168.606 -27.6945 -261.784 5.76651 -78.8534 PRESSAVG: 2688400 -21.9873 -46.2785 -36.2594 -46.2785 -0.472764 -38.4833 -36.2594 -38.4832 0.498124 GPRESSAVG: 2688400 -22.836 -47.092 -36.4443 -45.4039 0.508628 -38.6666 -34.4793 -40.2988 0.422916 TIMING: 2688400 CPU: 8490.98, 0.00320844/step Wall: 8490.98, 0.00320844/step, 2.06017 hours remaining, 235.300781 MB of memory in use. ENERGY: 2688400 4018.7428 20437.9108 14465.4550 237.8738 -203193.5960 2838.4671 0.0000 0.0000 51746.1166 -109449.0299 297.3856 -161195.1465 -109095.9780 299.5227 -94.9771 -64.4785 763553.5106 -7.3207 -7.3015 PRESSURE: 2688600 -48.2711 320.951 128.554 320.949 105.675 270.63 128.554 270.631 -1.6769 GPRESSURE: 2688600 16.3993 120.305 62.064 217.839 146.866 232.422 163.306 221.309 -21.5167 PRESSAVG: 2688600 20.9852 -23.5303 -6.7177 -23.5302 16.1585 35.4253 -6.71767 35.4253 -6.57523 GPRESSAVG: 2688600 21.9816 -24.1009 -8.21099 -24.3667 16.0441 36.0471 -7.658 36.2367 -7.07255 TIMING: 2688600 CPU: 8491.61, 0.00314262/step Wall: 8491.61, 0.00314262/step, 2.01774 hours remaining, 235.300781 MB of memory in use. ENERGY: 2688600 3972.8422 20160.0413 14490.3034 243.6483 -203044.7193 2487.8646 0.0000 0.0000 52222.8110 -109467.2083 300.1252 -161690.0194 -109095.2426 299.0144 18.5756 47.2495 759883.5300 10.1895 10.3177 PRESSURE: 2688800 227.068 -197.567 111.833 -197.568 -101.652 -24.9621 111.833 -24.9633 103.88 GPRESSURE: 2688800 215.059 -83.2822 177.42 -63.9408 -11.0715 -55.3855 80.7376 21.7441 111.276 PRESSAVG: 2688800 -21.0279 -52.1905 -30.5197 -52.1905 -27.4425 -12.6096 -30.5198 -12.6096 18.213 GPRESSAVG: 2688800 -21.4178 -48.3529 -29.1372 -52.3128 -26.9675 -12.1969 -28.726 -9.71734 18.2324 TIMING: 2688800 CPU: 8492.24, 0.00314673/step Wall: 8492.24, 0.00314673/step, 2.0202 hours remaining, 235.300781 MB of memory in use. ENERGY: 2688800 3870.4567 20409.2389 14420.7488 259.3309 -202688.0273 2271.8643 0.0000 0.0000 52135.8936 -109320.4940 299.6257 -161456.3876 -108956.9144 299.1996 76.4318 105.0879 762171.8104 -10.0858 -10.0510 PRESSURE: 2689000 -70.5093 -138.548 73.3484 -138.548 262.149 -20.2139 73.347 -20.213 331.055 GPRESSURE: 2689000 -38.8805 -159.35 -59.6786 -195.472 324.715 18.4192 158.168 -169.4 319.674 PRESSAVG: 2689000 -3.23298 -63.123 -44.653 -63.1231 -12.562 21.9677 -44.653 21.9676 -15.9476 GPRESSAVG: 2689000 -3.33653 -67.4359 -44.729 -59.4257 -12.3427 21.0605 -45.2933 20.0392 -15.9383 TIMING: 2689000 CPU: 8492.87, 0.00314993/step Wall: 8492.87, 0.00314993/step, 2.02208 hours remaining, 235.558594 MB of memory in use. ENERGY: 2689000 3872.5978 20476.2373 14464.9197 259.4190 -203323.7845 2948.8194 0.0000 0.0000 52163.7353 -109138.0560 299.7857 -161301.7913 -108779.9341 299.4692 174.2314 201.8362 762690.5061 -10.5808 -10.5392 PRESSURE: 2689200 -111.535 17.0538 61.8278 17.0532 -135.677 -13.6506 61.8281 -13.6505 -312.849 GPRESSURE: 2689200 -182.821 8.81989 72.8272 75.6452 -71.998 -39.3349 18.2036 -13.6661 -239.594 PRESSAVG: 2689200 23.3045 -66.0064 -28.0525 -66.0064 -18.3237 40.5966 -28.0525 40.5966 -5.66882 GPRESSAVG: 2689200 23.209 -64.6155 -28.0836 -67.334 -18.4953 42.7272 -29.5545 38.2022 -4.90204 TIMING: 2689200 CPU: 8493.5, 0.00312844/step Wall: 8493.5, 0.00312844/step, 2.00811 hours remaining, 235.558594 MB of memory in use. ENERGY: 2689200 3986.2099 20451.4856 14459.5893 255.0168 -202758.6248 2176.6096 0.0000 0.0000 52138.8437 -109290.8698 299.6427 -161429.7134 -108921.6841 299.2494 -186.6871 -164.8044 764236.2482 -0.2293 -0.0628 PRESSURE: 2689400 -342.5 -88.8239 -145.134 -88.8248 36.0717 166.63 -145.134 166.629 -48.7692 GPRESSURE: 2689400 -196.518 -98.4383 -83.094 -80.2226 -1.47379 195.607 -164.101 89.4166 -65.7935 PRESSAVG: 2689400 -6.856 -11.8059 -29.2022 -11.8059 0.403585 45.614 -29.2023 45.6139 11.9688 GPRESSAVG: 2689400 -7.09331 -9.20496 -28.4708 -12.9257 0.684373 45.4124 -28.7939 48.8147 11.8898 TIMING: 2689400 CPU: 8494.12, 0.00313448/step Wall: 8494.12, 0.00313448/step, 2.01182 hours remaining, 235.558594 MB of memory in use. ENERGY: 2689400 4014.1497 20371.6013 14504.5183 264.7353 -202841.9592 2342.6581 0.0000 0.0000 51876.8599 -109467.4365 298.1370 -161344.2964 -109096.2832 299.2725 -118.3992 -87.9283 762367.4337 1.8388 1.8269 PRESSURE: 2689600 -207.556 10.4099 -21.5608 10.4102 -54.932 63.547 -21.5608 63.5481 -403.033 GPRESSURE: 2689600 -224.168 28.1617 8.25742 23.1072 27.8442 102.761 21.518 61.8364 -371.7 PRESSAVG: 2689600 30.9459 27.5903 -57.8 27.5902 -37.2963 13.3068 -57.8 13.3068 5.4538 GPRESSAVG: 2689600 30.7108 27.3741 -56.8963 27.8348 -37.1256 11.6735 -57.5082 11.7231 5.40649 TIMING: 2689600 CPU: 8494.75, 0.00312473/step Wall: 8494.75, 0.00312473/step, 2.00538 hours remaining, 235.558594 MB of memory in use. ENERGY: 2689600 4012.1163 20388.1360 14531.0568 246.4463 -203115.5431 2424.2572 0.0000 0.0000 52095.6384 -109417.8922 299.3943 -161513.5306 -109056.0805 299.2907 -221.8401 -189.3411 761800.1282 -0.2989 -0.3361 PRESSURE: 2689800 196.191 7.87941 166.233 7.87992 -75.591 -300.752 166.234 -300.752 -26.6485 GPRESSURE: 2689800 190.518 63.3711 225.728 39.7875 -55.5335 -265.777 125.75 -187.223 50.0129 PRESSAVG: 2689800 50.952 0.841482 -44.003 0.841535 -43.4116 46.2625 -44.003 46.2626 -12.0314 GPRESSAVG: 2689800 51.1959 -1.46072 -44.3572 -0.822835 -43.2155 46.433 -44.2257 48.4446 -12.2532 TIMING: 2689800 CPU: 8495.38, 0.00312691/step Wall: 8495.38, 0.00312691/step, 2.00661 hours remaining, 235.558594 MB of memory in use. ENERGY: 2689800 3963.2184 20511.4552 14516.8797 252.6690 -202772.1203 2193.9425 0.0000 0.0000 51744.2930 -109589.6624 297.3752 -161333.9554 -109235.1230 298.9786 31.3170 61.6658 761766.5423 -1.4970 -1.4243 PRESSURE: 2690000 -367.174 -218.833 -77.7139 -218.833 -433.247 154.297 -77.714 154.297 -57.1599 GPRESSURE: 2690000 -347.828 -244.436 -91.5061 -217.526 -367.115 200.006 -6.60935 118.274 -51.6539 PRESSAVG: 2690000 59.1523 -89.4393 23.6993 -89.4393 -40.0314 81.9229 23.6993 81.9229 -12.5142 GPRESSAVG: 2690000 58.7441 -85.7142 22.6236 -88.5194 -38.9045 82.9114 24.6839 79.5382 -13.5355 TIMING: 2690000 CPU: 8496, 0.00313671/step Wall: 8496, 0.00313671/step, 2.01272 hours remaining, 235.558594 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: 2690000 4018.6468 20233.6495 14494.8821 256.5824 -203191.0159 2380.2024 0.0000 0.0000 52182.5769 -109624.4758 299.8940 -161807.0527 -109264.6521 298.7434 -285.8606 -255.5323 761439.1764 2.2022 2.1013 PRESSURE: 2690200 -163.75 37.2515 -136.471 37.2511 -643.148 191.691 -136.471 191.692 -156.67 GPRESSURE: 2690200 -187.975 -64.4195 -108.152 63.3177 -500.595 247.388 -105.561 86.8212 -206.333 PRESSAVG: 2690200 1.63272 -112.507 -16.1853 -112.507 -39.6568 62.7405 -16.1853 62.7406 4.68988 GPRESSAVG: 2690200 2.18302 -115.564 -16.6967 -112.301 -40.2109 62.2142 -16.5949 63.8277 4.60819 TIMING: 2690200 CPU: 8496.63, 0.00314894/step Wall: 8496.63, 0.00314894/step, 2.0204 hours remaining, 235.558594 MB of memory in use. ENERGY: 2690200 3994.4062 20563.6789 14409.1672 243.7844 -203242.3246 2451.9422 0.0000 0.0000 51952.0532 -109627.2925 298.5692 -161579.3457 -109272.6012 298.8175 -321.1891 -298.3011 761309.0681 -11.1114 -11.1399 PRESSURE: 2690400 88.7976 21.7852 69.9706 21.7853 228.512 203.049 69.9705 203.05 -24.7086 GPRESSURE: 2690400 156.997 -79.6572 44.3746 -126.125 195.147 226.79 25.7454 207.981 41.2798 PRESSAVG: 2690400 6.78076 -95.4541 -27.7869 -95.4541 -0.32397 70.8444 -27.787 70.8445 21.6555 GPRESSAVG: 2690400 7.54126 -94.7503 -26.6973 -94.4089 -0.748591 70.377 -28.2535 70.1393 21.5081 TIMING: 2690400 CPU: 8497.26, 0.0031393/step Wall: 8497.26, 0.0031393/step, 2.01403 hours remaining, 235.558594 MB of memory in use. ENERGY: 2690400 4040.1374 20414.6530 14360.6864 247.6094 -203152.7453 2552.8662 0.0000 0.0000 51960.9465 -109575.8463 298.6203 -161536.7929 -109221.0238 298.8322 97.5338 131.1412 761112.8727 9.3708 9.4336 PRESSURE: 2690600 -34.6553 -131.287 -54.2581 -131.287 280.944 5.15108 -54.2574 5.15204 68.1225 GPRESSURE: 2690600 92.5289 -118.092 -10.3358 -268.828 229.34 25.2305 34.3487 54.6375 72.5139 PRESSAVG: 2690600 25.3847 -35.6196 20.525 -35.6195 -4.00983 26.6075 20.525 26.6076 0.911442 GPRESSAVG: 2690600 26.8357 -36.0233 20.7541 -35.7718 -4.98946 27.2991 21.0566 26.922 1.09345 TIMING: 2690600 CPU: 8497.89, 0.00314642/step Wall: 8497.89, 0.00314642/step, 2.01843 hours remaining, 235.558594 MB of memory in use. ENERGY: 2690600 3981.7756 20239.1175 14409.9102 245.2665 -203020.0346 2574.1934 0.0000 0.0000 52137.1010 -109432.6703 299.6326 -161569.7713 -109065.2522 298.6467 104.8038 131.4611 761326.2048 7.4288 7.6466 PRESSURE: 2690800 -208.172 -74.1312 -299.597 -74.1307 -250.539 35.2802 -299.597 35.2804 -240.238 GPRESSURE: 2690800 -180.736 38.2432 -272.847 -85.737 -140.461 21.1579 -231.011 74.0074 -285.248 PRESSAVG: 2690800 33.1951 -88.5766 11.9981 -88.5766 7.29172 31.5185 11.9981 31.5185 -13.8204 GPRESSAVG: 2690800 32.3977 -86.9052 11.3994 -89.2605 7.79339 30.0706 10.5629 32.8528 -13.8405 TIMING: 2690800 CPU: 8498.52, 0.00315121/step Wall: 8498.52, 0.00315121/step, 2.02132 hours remaining, 235.558594 MB of memory in use. ENERGY: 2690800 3988.7605 20398.2604 14394.7738 237.4879 -203065.7367 2324.7235 0.0000 0.0000 52242.0601 -109479.6705 300.2358 -161721.7307 -109117.6156 298.6973 -232.9828 -202.1482 762265.0001 8.8888 8.7835 PRESSURE: 2691000 -121.457 -45.5392 -15.2242 -45.5395 165.093 113.383 -15.2244 113.384 -199.315 GPRESSURE: 2691000 -6.28755 -75.9672 52.9552 -36.1953 162.664 139.137 -20.0763 121.284 -231.131 PRESSAVG: 2691000 -4.56288 -40.8609 6.29749 -40.861 -22.0128 78.5032 6.29747 78.5032 -9.78176 GPRESSAVG: 2691000 -4.08999 -42.8873 7.79403 -39.0556 -22.4655 79.547 6.77124 78.4281 -9.97088 TIMING: 2691000 CPU: 8499.15, 0.00313705/step Wall: 8499.15, 0.00313706/step, 2.01207 hours remaining, 235.558594 MB of memory in use. ENERGY: 2691000 3949.1270 20309.5384 14472.4355 258.3493 -203211.2803 2511.4911 0.0000 0.0000 52295.5631 -109414.7759 300.5433 -161710.3390 -109036.2368 299.2084 -51.8929 -24.9182 761382.5690 -12.1191 -12.1754 PRESSURE: 2691200 -118.753 -41.3325 -325.771 -41.3329 26.4003 75.3419 -325.77 75.342 -89.1438 GPRESSURE: 2691200 -231.606 -56.2451 -363.858 -17.3476 122.57 74.0605 -311.702 3.80696 -5.4079 PRESSAVG: 2691200 -40.6536 -45.0506 11.8434 -45.0506 52.063 26.3239 11.8434 26.3238 0.623344 GPRESSAVG: 2691200 -41.1746 -42.4824 11.8463 -47.3885 51.6275 26.1537 11.5936 24.804 1.84236 TIMING: 2691200 CPU: 8499.77, 0.00312684/step Wall: 8499.77, 0.00312684/step, 2.00535 hours remaining, 235.558594 MB of memory in use. ENERGY: 2691200 3944.7679 20761.5162 14438.9244 237.0930 -203196.0902 2437.3282 0.0000 0.0000 51968.4415 -109408.0190 298.6633 -161376.4605 -109046.5418 298.7667 -60.4989 -38.1478 760453.0446 4.0109 4.0984 PRESSURE: 2691400 186.797 -237.616 -61.1722 -237.616 -192.666 -205.202 -61.1729 -205.203 -72.4601 GPRESSURE: 2691400 124.602 -258.929 -99.3689 -243.169 -89.0094 -154.604 12.5071 -242.417 -42.9901 PRESSAVG: 2691400 42.8549 -76.0468 46.1337 -76.0469 7.96781 -27.9771 46.1337 -27.9772 7.81518 GPRESSAVG: 2691400 41.372 -76.1855 45.6595 -76.7068 9.79884 -26.0104 45.6976 -27.9302 6.96766 TIMING: 2691400 CPU: 8500.4, 0.00314392/step Wall: 8500.4, 0.00314392/step, 2.01613 hours remaining, 235.558594 MB of memory in use. ENERGY: 2691400 4000.2922 20618.6672 14485.7362 259.5857 -203244.9528 2468.9185 0.0000 0.0000 51875.4445 -109536.3084 298.1289 -161411.7529 -109181.8262 298.8511 -26.1096 -2.4659 761560.9021 19.5460 19.3795 PRESSURE: 2691600 -109.473 99.4184 -13.0233 99.418 -83.0287 94.5146 -13.0237 94.5148 14.3459 GPRESSURE: 2691600 16.5544 -50.0441 -11.7692 60.3167 -107.339 37.4778 11.4868 -12.3533 6.44554 PRESSAVG: 2691600 21.175 -37.0578 -22.6406 -37.0578 -23.5998 -61.7299 -22.6406 -61.73 -6.75034 GPRESSAVG: 2691600 21.9902 -38.544 -23.6888 -35.611 -24.642 -62.3141 -22.6901 -62.7954 -6.68004 TIMING: 2691600 CPU: 8501.03, 0.00313931/step Wall: 8501.03, 0.00313931/step, 2.01299 hours remaining, 235.558594 MB of memory in use. ENERGY: 2691600 3995.1046 20662.4711 14426.3599 233.4144 -202898.9214 2512.7777 0.0000 0.0000 51621.0609 -109447.7328 296.6669 -161068.7936 -109099.8178 298.4535 -59.3852 -28.1131 762280.7456 -3.0584 -3.1106 PRESSURE: 2691800 -403.867 -202.424 254.698 -202.425 -29.115 -65.4698 254.698 -65.4698 -274.435 GPRESSURE: 2691800 -320.878 -204.611 177.508 -234.522 -19.1009 14.9488 133.19 21.3524 -258.476 PRESSAVG: 2691800 -5.33366 -17.2828 -21.3643 -17.2828 -10.0243 14.9011 -21.3642 14.9011 18.13 GPRESSAVG: 2691800 -3.62524 -17.4674 -21.5136 -16.7778 -10.8482 13.2775 -19.3835 16.6478 17.2947 TIMING: 2691800 CPU: 8501.66, 0.00314927/step Wall: 8501.66, 0.00314927/step, 2.0192 hours remaining, 235.558594 MB of memory in use. ENERGY: 2691800 4021.6728 20466.1028 14422.4980 266.1738 -203493.8532 2509.6240 0.0000 0.0000 52148.5777 -109659.2040 299.6986 -161807.7817 -109282.7583 298.8287 -235.8057 -199.4850 763361.8081 0.9240 0.9404 PRESSURE: 2692000 46.0478 3.74933 -5.12579 3.74947 -112.479 319.223 -5.126 319.223 232.615 GPRESSURE: 2692000 77.7409 60.1833 -99.7928 -138.392 -93.0967 273.775 94.1146 108.901 267.437 PRESSAVG: 2692000 31.4171 5.09274 -37.8089 5.0927 6.6657 1.92295 -37.8089 1.92292 7.91125 GPRESSAVG: 2692000 29.7904 5.22637 -37.136 3.5726 7.4591 2.48244 -38.7425 3.18116 8.17198 TIMING: 2692000 CPU: 8502.29, 0.00314494/step Wall: 8502.29, 0.00314494/step, 2.01625 hours remaining, 235.558594 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: 2692000 4013.3703 20569.4860 14413.8624 250.2332 -203494.7700 2730.4418 0.0000 0.0000 52056.5767 -109460.7997 299.1699 -161517.3764 -109110.4224 299.1912 55.3948 84.0270 762328.4494 15.3313 15.1405 PRESSURE: 2692200 24.457 46.2195 -346.034 46.2194 24.3157 45.9748 -346.034 45.9743 51.1791 GPRESSURE: 2692200 58.6033 172.39 -363.322 36.2434 93.6513 65.5936 -233.896 -0.0785319 30.4022 PRESSAVG: 2692200 46.8147 -44.4262 -75.0465 -44.4263 -10.8852 48.9828 -75.0465 48.9828 2.13587 GPRESSAVG: 2692200 45.8715 -43.0006 -75.0951 -42.4413 -11.3489 48.0876 -74.8828 48.8205 4.03942 TIMING: 2692200 CPU: 8502.92, 0.00315729/step Wall: 8502.92, 0.00315729/step, 2.024 hours remaining, 235.558594 MB of memory in use. ENERGY: 2692200 4024.4104 20598.1103 14428.1020 263.8385 -203538.4048 2652.5675 0.0000 0.0000 52231.5982 -109339.7779 300.1757 -161571.3761 -108980.0210 299.5577 33.3173 60.8856 761723.0217 12.6885 12.8540 LDB: ============= START OF LOAD BALANCING ============== 8515.45 LDB: ============== END OF LOAD BALANCING =============== 8515.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8515.45 LDB: ============= START OF LOAD BALANCING ============== 8515.77 LDB: Largest compute 7026 load 0.032592 is 16.7% of average load 0.195523 LDB: Average compute 0.004397 is 2.2% of average load 0.195523 LDB: TIME 8515.77 LOAD: AVG 0.195523 MAX 0.215317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.82 MB LDB: TIME 8515.77 LOAD: AVG 0.195523 MAX 0.215317 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: TIME 8515.77 LOAD: AVG 0.195523 MAX 0.215317 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: ============== END OF LOAD BALANCING =============== 8515.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8515.78 PRESSURE: 2692400 -264.168 -82.8138 -42.3054 -82.8151 -94.8822 192.527 -42.3052 192.527 56.5191 GPRESSURE: 2692400 -143.814 -87.0756 -63.3358 -51.9482 -6.35997 192.831 -82.2457 161.234 -74.1198 PRESSAVG: 2692400 16.1569 13.7842 -52.944 13.7841 -14.0869 60.2258 -52.944 60.2257 -9.8803 GPRESSAVG: 2692400 17.0778 12.474 -53.4346 12.4178 -13.7305 61.1168 -53.6317 57.2099 -11.4438 TIMING: 2692400 CPU: 8503.56, 0.00321354/step Wall: 8503.56, 0.00321354/step, 2.05988 hours remaining, 234.789062 MB of memory in use. ENERGY: 2692400 4090.8880 20493.2290 14489.0612 242.4252 -203583.1019 2798.6431 0.0000 0.0000 52123.5901 -109345.2653 299.5550 -161468.8554 -108983.8896 299.3469 -100.8437 -74.7647 761979.4080 -2.6034 -2.6988 PRESSURE: 2692600 367.601 43.786 118.933 43.7866 39.5274 -294.002 118.932 -294.002 224.736 GPRESSURE: 2692600 378.311 -48.2419 78.3647 -126.069 56.1453 -268.563 112.414 -283.636 282.259 PRESSAVG: 2692600 -20.5163 -40.3949 15.756 -40.3949 10.7456 97.8338 15.756 97.8338 -17.4508 GPRESSAVG: 2692600 -19.6089 -39.9434 16.425 -40.5384 10.0478 98.9088 16.3625 98.5448 -17.0035 TIMING: 2692600 CPU: 8504.19, 0.00314202/step Wall: 8504.19, 0.00314203/step, 2.01386 hours remaining, 234.789062 MB of memory in use. ENERGY: 2692600 3963.9601 20531.8841 14506.0456 246.8312 -203078.8532 2557.3682 0.0000 0.0000 51835.0009 -109437.7629 297.8965 -161272.7638 -109087.6409 299.1612 210.6216 238.9051 761536.5420 -9.0738 -8.8549 PRESSURE: 2692800 -180.034 159.762 241.438 159.762 350.622 73.3188 241.438 73.319 314.059 GPRESSURE: 2692800 -85.3168 136.69 223.105 98.8598 389.4 -9.97775 102.851 140.763 281.058 PRESSAVG: 2692800 35.2828 23.8808 15.3637 23.8808 -23.1176 44.791 15.3638 44.791 4.02585 GPRESSAVG: 2692800 33.9252 25.2936 15.4522 22.9935 -21.7243 43.4743 14.0827 47.3976 4.30871 TIMING: 2692800 CPU: 8504.82, 0.00316599/step Wall: 8504.82, 0.00316599/step, 2.02905 hours remaining, 234.789062 MB of memory in use. ENERGY: 2692800 4053.3605 20352.6792 14403.7546 248.2500 -203543.7013 2966.5970 0.0000 0.0000 52123.7806 -109395.2793 299.5561 -161519.0599 -109037.5325 298.7679 161.5489 195.0470 761868.9737 5.3970 5.5032 PRESSURE: 2693000 -248.817 -133.8 107.604 -133.801 -75.0323 50.3321 107.603 50.3313 309.437 GPRESSURE: 2693000 -129.077 -114.67 66.8251 -33.4856 -67.0987 -56.2989 115.197 69.4659 239.253 PRESSAVG: 2693000 -27.7778 -4.69442 18.8486 -4.69445 -7.05588 27.7791 18.8485 27.779 14.4428 GPRESSAVG: 2693000 -26.3436 -6.91174 17.2368 -2.47831 -7.88377 26.4368 18.4871 26.1878 13.7868 TIMING: 2693000 CPU: 8505.45, 0.00315157/step Wall: 8505.45, 0.00315157/step, 2.01963 hours remaining, 234.789062 MB of memory in use. ENERGY: 2693000 4009.9522 20454.4443 14402.7657 236.4773 -203352.0920 2646.1348 0.0000 0.0000 51954.2533 -109648.0643 298.5818 -161602.3176 -109282.1436 298.9383 -4.8042 14.3592 764622.2918 -6.7970 -6.8135 PRESSURE: 2693200 274.122 -142.572 46.7296 -142.571 507.764 -164.588 46.7295 -164.586 621.855 GPRESSURE: 2693200 263.772 -135.359 136.729 -20.3597 558.742 -93.8878 87.9985 -145.25 672.396 PRESSAVG: 2693200 -11.3161 -23.7347 -28.9372 -23.7346 -4.71028 59.6729 -28.9372 59.6729 8.72656 GPRESSAVG: 2693200 -12.6256 -22.3738 -26.9494 -24.8077 -4.54523 60.3248 -29.0368 61.5817 10.1486 TIMING: 2693200 CPU: 8506.09, 0.0031587/step Wall: 8506.09, 0.0031587/step, 2.02402 hours remaining, 234.789062 MB of memory in use. ENERGY: 2693200 3972.7821 20510.5074 14573.9575 240.0027 -203712.9434 2860.2522 0.0000 0.0000 52047.4507 -109507.9908 299.1174 -161555.4415 -109150.5035 298.9432 467.9139 498.3035 761364.7988 -2.4333 -2.3407 PRESSURE: 2693400 -196.933 -117.441 -54.6936 -117.441 -652.169 -79.9465 -54.6945 -79.948 -472.021 GPRESSURE: 2693400 -175.802 -163.203 -25.5246 -170.131 -555.082 -85.8522 45.7159 -147.744 -480.982 PRESSAVG: 2693400 10.5949 -26.1564 -0.513997 -26.1563 -22.1778 18.3133 -0.514023 18.3133 4.2493 GPRESSAVG: 2693400 11.4318 -27.598 -1.98911 -25.8205 -22.06 18.5995 -0.607889 17.8823 3.70049 TIMING: 2693400 CPU: 8506.72, 0.00314715/step Wall: 8506.72, 0.00314715/step, 2.01645 hours remaining, 234.789062 MB of memory in use. ENERGY: 2693400 4065.4829 20559.7367 14505.4793 238.3371 -203421.5465 2436.4179 0.0000 0.0000 51837.1997 -109778.8929 297.9091 -161616.0926 -109417.7797 298.6321 -440.3742 -403.9552 762998.9798 -2.4445 -2.3092 PRESSURE: 2693600 121.261 -73.8038 -56.4768 -73.8035 167.838 258.757 -56.4768 258.758 -263.811 GPRESSURE: 2693600 94.9253 22.0569 -52.1518 -44.9085 184.365 333.043 -19.2108 145.414 -187.775 PRESSAVG: 2693600 -10.5812 -10.8294 -31.604 -10.8294 13.4233 64.8631 -31.6041 64.8631 -8.02711 GPRESSAVG: 2693600 -10.804 -9.31201 -29.6157 -10.6394 13.543 64.0259 -30.0575 63.3263 -7.51798 TIMING: 2693600 CPU: 8507.35, 0.00315329/step Wall: 8507.35, 0.00315329/step, 2.02021 hours remaining, 234.789062 MB of memory in use. ENERGY: 2693600 4089.6855 20442.1289 14416.1286 244.1940 -203445.5040 2418.7476 0.0000 0.0000 51997.5565 -109837.0629 298.8307 -161834.6194 -109462.8169 298.5550 8.4296 30.5053 761219.2853 -1.7283 -1.5930 PRESSURE: 2693800 140.583 73.636 -81.5182 73.6358 36.6504 80.13 -81.5189 80.13 98.152 GPRESSURE: 2693800 224.463 17.3978 -75.0694 75.2906 -52.6747 15.7273 -101.34 102.856 180.93 PRESSAVG: 2693800 -11.1502 -18.9887 5.15994 -18.9886 -6.67195 13.4164 5.15993 13.4163 10.2515 GPRESSAVG: 2693800 -12.238 -20.2262 4.61161 -19.4068 -5.35119 15.2747 1.86041 12.54 9.45162 TIMING: 2693800 CPU: 8507.97, 0.00314556/step Wall: 8507.97, 0.00314556/step, 2.01508 hours remaining, 234.789062 MB of memory in use. ENERGY: 2693800 3968.4634 20531.3583 14455.0111 240.9501 -203777.7718 2736.6076 0.0000 0.0000 52047.4397 -109797.9416 299.1174 -161845.3814 -109430.1087 298.8216 91.7950 117.5728 760114.1163 -2.5235 -2.7125 PRESSURE: 2694000 -30.8878 206.984 -105.491 206.984 -207.764 -107.872 -105.491 -107.872 -171.006 GPRESSURE: 2694000 -28.9587 185.782 11.582 179.128 -139.636 -19.2089 -113.933 -104.338 -144.381 PRESSAVG: 2694000 27.76 13.0673 -26.808 13.0673 -33.5395 -49.5514 -26.8081 -49.5514 22.3998 GPRESSAVG: 2694000 27.58 12.7339 -26.0159 13.3517 -33.9678 -50.7826 -23.674 -49.3731 22.3407 TIMING: 2694000 CPU: 8508.6, 0.00312533/step Wall: 8508.6, 0.00312533/step, 2.00195 hours remaining, 234.789062 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: 2694000 4031.9186 20630.5304 14432.4870 242.6993 -203647.4419 2670.6741 0.0000 0.0000 52083.7782 -109555.3542 299.3262 -161639.1324 -109193.5611 298.8087 -136.5525 -104.3254 761402.4864 5.5401 5.3176 PRESSURE: 2694200 -114.811 -240.7 48.1189 -240.699 -49.465 -59.698 48.1184 -59.7004 26.11 GPRESSURE: 2694200 -42.6902 -269.168 81.982 -225.413 -35.0261 -77.3379 95.5779 -11.4253 47.7747 PRESSAVG: 2694200 14.68 -35.8437 -12.5226 -35.8437 -40.1665 -4.47235 -12.5227 -4.47245 -31.0144 GPRESSAVG: 2694200 13.3586 -34.7649 -14.6929 -35.9591 -40.1083 -4.60831 -12.3115 -3.40964 -29.5099 TIMING: 2694200 CPU: 8509.23, 0.00314858/step Wall: 8509.23, 0.00314858/step, 2.01666 hours remaining, 234.789062 MB of memory in use. ENERGY: 2694200 4022.0112 20652.2091 14447.9843 256.0417 -203687.2189 2591.9557 0.0000 0.0000 52019.2999 -109697.7171 298.9556 -161717.0169 -109340.3666 299.2554 -46.0554 -9.9805 761395.3598 -18.8336 -18.7532 PRESSURE: 2694400 101.355 -10.415 -81.3587 -10.4154 -385.664 217.408 -81.3579 217.408 238.488 GPRESSURE: 2694400 127.885 -19.5336 -32.7682 -9.91517 -336.955 298.325 -205.887 108.537 251.703 PRESSAVG: 2694400 24.1907 -67.3341 15.8545 -67.334 -14.9526 4.35556 15.8546 4.35554 -15.733 GPRESSAVG: 2694400 26.5725 -69.2685 16.1465 -65.0286 -15.2958 6.59751 13.9385 2.61797 -16.9897 TIMING: 2694400 CPU: 8509.86, 0.00313714/step Wall: 8509.86, 0.00313714/step, 2.00916 hours remaining, 234.789062 MB of memory in use. ENERGY: 2694400 3966.1153 20483.8968 14490.3140 248.1112 -203651.7011 2791.3919 0.0000 0.0000 52043.2140 -109628.6579 299.0931 -161671.8720 -109249.4086 298.8200 -15.2738 14.2108 761903.1314 -2.1649 -1.9044 PRESSURE: 2694600 7.79759 -48.4901 -32.9375 -48.49 70.3871 43.6873 -32.9381 43.6872 -36.6786 GPRESSURE: 2694600 11.2362 123.606 -60.4609 12.49 132.7 35.776 47.6738 89.0245 -7.01571 PRESSAVG: 2694600 -5.42258 -38.2711 -10.1052 -38.2711 11.7835 -11.6184 -10.1052 -11.6184 0.915378 GPRESSAVG: 2694600 -6.26995 -37.9304 -9.65061 -39.274 11.1657 -12.7915 -9.23429 -10.8154 1.88498 TIMING: 2694600 CPU: 8510.49, 0.00314001/step Wall: 8510.49, 0.00314001/step, 2.01083 hours remaining, 234.789062 MB of memory in use. ENERGY: 2694600 4011.2965 20513.1393 14460.9788 250.6904 -203606.6114 2796.8376 0.0000 0.0000 51857.3929 -109716.2757 298.0251 -161573.6686 -109358.0905 298.5175 13.8353 45.6400 762721.2592 2.4254 2.2602 PRESSURE: 2694800 445.302 17.4372 -72.6809 17.4376 -70.075 102.032 -72.6807 102.032 -61.8374 GPRESSURE: 2694800 314.144 70.303 -119.754 -70.9563 32.2706 183.947 -113.331 77.2905 48.505 PRESSAVG: 2694800 -20.3591 25.1857 12.1683 25.1857 -3.33673 -0.845417 12.1683 -0.845438 1.82229 GPRESSAVG: 2694800 -20.7128 25.8025 12.2974 25.7907 -2.59321 -1.09145 13.1813 -0.827296 1.41177 TIMING: 2694800 CPU: 8511.11, 0.00314226/step Wall: 8511.11, 0.00314226/step, 2.01209 hours remaining, 234.789062 MB of memory in use. ENERGY: 2694800 3961.0564 20557.5458 14488.3490 251.6143 -203852.3851 2955.1944 0.0000 0.0000 52019.6198 -109619.0054 298.9575 -161638.6252 -109265.7973 298.7294 104.4631 131.6398 761545.1560 -7.2912 -7.2981 PRESSURE: 2695000 -153.441 78.8172 30.0887 78.8166 -135.103 -29.0568 30.089 -29.0566 368.58 GPRESSURE: 2695000 -62.4117 -31.7962 43.1108 97.1423 -125.538 -54.5431 -74.0615 31.9065 369.647 PRESSAVG: 2695000 36.349 15.1004 6.67605 15.1004 4.87051 -20.8959 6.67598 -20.8959 -5.70759 GPRESSAVG: 2695000 36.9891 15.6829 7.59611 14.0905 5.69889 -21.5754 4.46928 -21.2689 -6.90409 TIMING: 2695000 CPU: 8511.74, 0.00314426/step Wall: 8511.74, 0.00314426/step, 2.0132 hours remaining, 234.789062 MB of memory in use. ENERGY: 2695000 3904.3931 20453.9615 14431.9077 235.5238 -203285.9829 2572.9275 0.0000 0.0000 52007.5712 -109679.6982 298.8882 -161687.2694 -109320.7206 298.7355 26.6788 60.5659 762523.6457 11.8373 11.9280 PRESSURE: 2695200 -62.9386 -91.031 269.577 -91.0304 -36.4004 80.2134 269.577 80.2122 -291.698 GPRESSURE: 2695200 -4.36941 -27.8148 208.477 2.07695 -101.693 -14.6761 225.037 75.511 -220.361 PRESSAVG: 2695200 21.1124 17.6276 62.5302 17.6276 -25.3148 -39.1965 62.5302 -39.1965 -10.8419 GPRESSAVG: 2695200 21.69 17.2257 62.0358 16.5925 -26.7883 -38.8212 64.2333 -37.7345 -9.96944 TIMING: 2695200 CPU: 8512.37, 0.0031547/step Wall: 8512.37, 0.0031547/step, 2.01971 hours remaining, 234.789062 MB of memory in use. ENERGY: 2695200 4072.1701 20405.6925 14476.3721 255.8955 -203511.2005 2665.9566 0.0000 0.0000 52161.1595 -109473.9543 299.7709 -161635.1138 -109110.4924 299.1228 -130.3458 -108.8077 763108.2509 -5.0148 -5.0226 PRESSURE: 2695400 -310.295 -11.6119 90.3178 -11.6111 -30.3572 26.3902 90.3177 26.3894 139.422 GPRESSURE: 2695400 -326.714 -79.9328 14.8628 91.2401 54.568 37.196 101.198 -91.3011 159.855 PRESSAVG: 2695400 5.89854 -3.04851 -33.2768 -3.04845 -14.446 11.3193 -33.2768 11.3193 38.1905 GPRESSAVG: 2695400 5.59014 -4.27148 -33.0644 -0.205515 -13.7341 11.1334 -35.0091 9.05366 37.9048 TIMING: 2695400 CPU: 8513, 0.00315112/step Wall: 8513, 0.00315112/step, 2.01724 hours remaining, 234.789062 MB of memory in use. ENERGY: 2695400 4125.6764 20435.4510 14515.6108 256.5560 -203133.6359 2826.6248 0.0000 0.0000 51786.6450 -109187.0719 297.6186 -160973.7169 -108823.3595 299.3184 -67.0767 -37.4306 763989.4202 9.8810 9.9203 PRESSURE: 2695600 196.521 -42.8363 -186.545 -42.8367 124.452 256.689 -186.545 256.689 234.12 GPRESSURE: 2695600 122.435 -9.75808 -105.088 33.7814 211.124 313.644 -110.87 111.309 289.998 PRESSAVG: 2695600 12.762 11.0114 36.1345 11.0114 -40.8805 -44.6823 36.1345 -44.6822 -3.20816 GPRESSAVG: 2695600 13.3063 11.6705 36.3988 9.94086 -41.7027 -45.3237 36.6192 -43.9963 -2.89475 TIMING: 2695600 CPU: 8513.63, 0.003151/step Wall: 8513.63, 0.003151/step, 2.01699 hours remaining, 234.789062 MB of memory in use. ENERGY: 2695600 3945.6774 20682.5750 14496.8530 254.6368 -203702.2815 2963.6213 0.0000 0.0000 52076.5580 -109282.3600 299.2847 -161358.9180 -108925.4769 299.6161 185.0309 207.8525 762447.4262 -10.4422 -10.4304 PRESSURE: 2695800 -205.91 156.131 -34.4789 156.131 -160.88 114.218 -34.4782 114.218 -298.999 GPRESSURE: 2695800 -185.531 172.184 -85.8427 97.6335 -86.5748 127.728 -73.182 65.3955 -323.375 PRESSAVG: 2695800 56.39 -23.4915 -51.2626 -23.4915 -9.15926 20.87 -51.2626 20.87 4.75199 GPRESSAVG: 2695800 56.0145 -21.0908 -52.0649 -23.4462 -9.36329 21.6613 -53.2847 21.8223 5.09833 TIMING: 2695800 CPU: 8514.26, 0.00315427/step Wall: 8514.26, 0.00315427/step, 2.01891 hours remaining, 234.789062 MB of memory in use. ENERGY: 2695800 3990.0591 20603.3159 14435.3814 242.7452 -203195.7877 2384.9379 0.0000 0.0000 51961.8005 -109577.5477 298.6252 -161539.3482 -109205.8466 299.3402 -221.9297 -198.4937 762835.3779 17.3276 17.2498 PRESSURE: 2696000 37.9618 -40.8591 -50.8391 -40.859 -304.842 -140.523 -50.8388 -140.523 -35.6491 GPRESSURE: 2696000 118.993 -74.0798 -148.896 10.7321 -266.396 -224.857 41.4927 -204.62 -78.3077 PRESSAVG: 2696000 -23.2288 -1.46443 -17.572 -1.46443 36.3206 -28.8041 -17.5721 -28.8041 3.44176 GPRESSAVG: 2696000 -22.7992 -4.49153 -17.9298 -0.167392 36.9469 -31.2186 -13.8065 -29.2912 2.21512 TIMING: 2696000 CPU: 8514.9, 0.00317138/step Wall: 8514.9, 0.00317138/step, 2.02969 hours remaining, 234.789062 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: 2696000 4026.9793 20678.6389 14400.0245 251.8332 -203364.6676 2752.4760 0.0000 0.0000 51919.7159 -109334.9998 298.3833 -161254.7157 -108986.2592 298.9622 -100.8431 -75.2369 762674.1322 5.5112 5.4543 PRESSURE: 2696200 -172.659 53.6538 24.6354 53.6538 -32.6077 -168.972 24.6358 -168.972 141.991 GPRESSURE: 2696200 -98.2322 262.402 72.6824 -24.7978 50.8221 -256.78 48.6659 75.7272 75.1543 PRESSAVG: 2696200 -42.2969 -17.5344 -16.293 -17.5344 51.4498 -28.1517 -16.293 -28.1517 17.9392 GPRESSAVG: 2696200 -43.2289 -14.8198 -17.8475 -17.1978 51.9242 -27.7696 -15.3506 -27.3668 18.5274 TIMING: 2696200 CPU: 8515.53, 0.00315713/step Wall: 8515.53, 0.00315713/step, 2.02039 hours remaining, 234.789062 MB of memory in use. ENERGY: 2696200 3979.2204 20610.3848 14394.0151 237.6267 -203512.9440 2885.6614 0.0000 0.0000 52137.5682 -109268.4674 299.6353 -161406.0356 -108910.3557 299.4155 -21.0920 9.2480 762575.8221 9.0307 9.0742 LDB: ============= START OF LOAD BALANCING ============== 8528.06 LDB: ============== END OF LOAD BALANCING =============== 8528.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8528.07 LDB: ============= START OF LOAD BALANCING ============== 8528.38 LDB: Largest compute 7026 load 0.032000 is 16.4% of average load 0.195493 LDB: Average compute 0.004383 is 2.2% of average load 0.195493 LDB: TIME 8528.39 LOAD: AVG 0.195493 MAX 0.21506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.336 MB LDB: TIME 8528.39 LOAD: AVG 0.195493 MAX 0.21506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.43 MB LDB: TIME 8528.39 LOAD: AVG 0.195493 MAX 0.21506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.43 MB LDB: ============== END OF LOAD BALANCING =============== 8528.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8528.39 PRESSURE: 2696400 -18.6882 -68.0724 194.425 -68.0725 -309.935 78.3038 194.424 78.3038 307.219 GPRESSURE: 2696400 23.6339 -85.5251 203.567 -33.6223 -271.062 170.973 172.607 90.653 309.103 PRESSAVG: 2696400 13.107 25.0111 31.8714 25.011 -42.8051 -10.1123 31.8713 -10.1123 -1.59933 GPRESSAVG: 2696400 13.2865 26.0121 32.6707 21.1249 -43.043 -9.02246 30.4263 -8.29201 -1.5389 TIMING: 2696400 CPU: 8516.18, 0.00323202/step Wall: 8516.18, 0.00323202/step, 2.06813 hours remaining, 235.132812 MB of memory in use. ENERGY: 2696400 4084.2108 20422.9590 14512.8978 269.4764 -203231.4692 2775.1316 0.0000 0.0000 51683.8859 -109482.9077 297.0280 -161166.7936 -109123.4604 298.8704 -7.1346 20.5583 763101.8477 -10.4325 -10.4318 PRESSURE: 2696600 -322.86 -4.53357 -84.3623 -4.53388 -106.999 -113.186 -84.3614 -113.188 -204.227 GPRESSURE: 2696600 -270.867 -56.7932 -59.2124 54.6516 12.7371 -53.0244 -1.25364 -223.212 -285.045 PRESSAVG: 2696600 -26.2576 -47.285 3.65205 -47.2851 -19.1782 -35.5357 3.65203 -35.5357 4.23615 GPRESSAVG: 2696600 -26.1153 -48.6643 4.98387 -45.0072 -18.6737 -36.8446 5.10278 -34.5069 3.91869 TIMING: 2696600 CPU: 8516.81, 0.00315139/step Wall: 8516.81, 0.00315139/step, 2.01636 hours remaining, 235.132812 MB of memory in use. ENERGY: 2696600 3945.6306 20443.9051 14355.3896 242.4005 -203539.7203 2814.8640 0.0000 0.0000 52060.3037 -109677.2267 299.1913 -161737.5304 -109311.7864 298.7754 -211.3620 -181.0583 763584.3807 -13.7332 -13.6234 PRESSURE: 2696800 -42.241 73.219 -66.0801 73.2187 137.95 128.061 -66.0807 128.063 250.918 GPRESSURE: 2696800 22.3301 211.433 -82.2717 133.44 116.488 29.947 -7.90057 102.104 288.832 PRESSAVG: 2696800 -26.9863 11.3464 0.129076 11.3464 -0.39716 -17.9824 0.128984 -17.9824 -29.521 GPRESSAVG: 2696800 -26.6235 10.9995 -0.267367 11.5861 -0.653657 -20.2749 -3.32535 -18.8642 -30.1064 TIMING: 2696800 CPU: 8517.44, 0.00315228/step Wall: 8517.44, 0.00315228/step, 2.01676 hours remaining, 235.132812 MB of memory in use. ENERGY: 2696800 3965.6125 20211.8403 14476.8548 258.5334 -202677.0500 2386.8287 0.0000 0.0000 51879.8788 -109497.5014 298.1544 -161377.3803 -109137.8836 298.2030 115.5425 142.5502 763511.0254 -18.9682 -19.1279 PRESSURE: 2697000 -7.74612 67.8027 -187.825 67.8025 183.039 -165.646 -187.825 -165.647 209.454 GPRESSURE: 2697000 71.7298 -11.9294 -142.556 40.2101 161.018 -175.604 -42.7652 -260.272 238.548 PRESSAVG: 2697000 10.3331 -10.6931 36.8777 -10.6931 29.4292 -14.2915 36.8778 -14.2916 13.6045 GPRESSAVG: 2697000 9.88629 -10.1109 36.0964 -11.2928 28.7564 -12.3214 39.6302 -13.9463 14.9312 TIMING: 2697000 CPU: 8518.07, 0.00315466/step Wall: 8518.07, 0.00315466/step, 2.0181 hours remaining, 235.132812 MB of memory in use. ENERGY: 2697000 4040.1371 20699.7443 14400.0556 247.3044 -203288.8690 2721.8792 0.0000 0.0000 51972.6812 -109207.0672 298.6877 -161179.7484 -108855.6297 299.1525 128.2488 157.0983 761514.6384 17.7889 17.8580 PRESSURE: 2697200 33.6237 -133.056 79.7025 -133.057 -117.147 115.429 79.7023 115.431 -110.44 GPRESSURE: 2697200 8.9579 -75.9556 47.0765 -171.807 -84.4194 42.3361 80.6735 35.3663 -37.9631 PRESSAVG: 2697200 -9.14197 -55.2658 -41.3152 -55.2657 5.11129 -29.1949 -41.3152 -29.195 22.8415 GPRESSAVG: 2697200 -8.35271 -55.795 -40.5141 -54.9918 5.57593 -30.2502 -42.8795 -30.3393 21.5295 TIMING: 2697200 CPU: 8518.7, 0.00315635/step Wall: 8518.7, 0.00315635/step, 2.01901 hours remaining, 235.132812 MB of memory in use. ENERGY: 2697200 3968.2427 20639.2578 14411.9957 235.3925 -203301.6460 2732.0161 0.0000 0.0000 52095.5183 -109219.2229 299.3937 -161314.7412 -108858.2076 299.4815 -64.6542 -37.8082 762986.8087 6.2703 6.2509 PRESSURE: 2697400 225.673 -87.3759 201.11 -87.3755 81.8334 24.834 201.11 24.8348 370.292 GPRESSURE: 2697400 311.486 -56.7548 106.899 -111.829 72.9152 28.537 194.764 -41.5464 385.721 PRESSAVG: 2697400 -6.63867 5.9715 7.82564 5.97144 3.10663 -31.7464 7.82557 -31.7466 -2.78064 GPRESSAVG: 2697400 -7.4853 6.45041 6.76583 3.40953 2.43882 -31.4057 9.1027 -32.333 -1.06537 TIMING: 2697400 CPU: 8519.33, 0.00315804/step Wall: 8519.33, 0.00315804/step, 2.01992 hours remaining, 235.335938 MB of memory in use. ENERGY: 2697400 4009.6080 20433.8539 14426.7589 246.0440 -203426.9427 3081.1697 0.0000 0.0000 51941.2160 -109288.2922 298.5069 -161229.5082 -108928.3412 299.3431 225.9329 256.7072 761499.1277 -2.1042 -2.0373 PRESSURE: 2697600 128.112 137.269 52.9251 137.269 -91.6097 -51.7138 52.9259 -51.714 -85.8475 GPRESSURE: 2697600 156.173 111.154 90.4253 66.9785 -67.8116 5.02815 -19.3652 37.5602 -58.0564 PRESSAVG: 2697600 -41.3521 -22.6598 30.0994 -22.6598 38.0983 8.7495 30.0995 8.74944 22.8586 GPRESSAVG: 2697600 -41.0251 -23.4435 32.9761 -19.7847 39.0708 8.65054 29.7658 9.91645 21.3646 TIMING: 2697600 CPU: 8519.96, 0.00315987/step Wall: 8519.96, 0.00315987/step, 2.02091 hours remaining, 235.335938 MB of memory in use. ENERGY: 2697600 3987.8968 20504.9545 14464.7305 263.5546 -203134.4406 2469.5489 0.0000 0.0000 52026.8788 -109416.8764 298.9992 -161443.7553 -109045.1292 298.8732 -16.4485 10.1018 762826.9713 6.5349 6.4701 PRESSURE: 2697800 -62.8458 160.27 74.1531 160.271 170.717 10.1742 74.153 10.1735 193.683 GPRESSURE: 2697800 33.5464 109.058 20.8826 -18.9042 196.048 -51.2594 47.3154 48.0489 165.788 PRESSAVG: 2697800 -3.96142 -23.2776 -42.484 -23.2776 8.31997 -11.8156 -42.484 -11.8155 1.85926 GPRESSAVG: 2697800 -4.35561 -23.0402 -44.4321 -22.7321 7.92801 -12.6118 -42.7917 -12.4044 3.01879 TIMING: 2697800 CPU: 8520.59, 0.00314001/step Wall: 8520.59, 0.00314001/step, 2.00803 hours remaining, 235.335938 MB of memory in use. ENERGY: 2697800 4063.5431 20440.6204 14425.6617 241.2054 -203184.3191 2606.6899 0.0000 0.0000 52095.3104 -109311.2883 299.3925 -161406.5987 -108948.7634 299.2947 100.5182 131.7943 760887.2580 2.0726 2.1971 PRESSURE: 2698000 -179.698 -97.3256 -29.755 -97.3261 228.37 -43.7377 -29.7552 -43.7386 -53.7049 GPRESSURE: 2698000 -257.062 -90.5842 -87.7787 -93.0082 272.854 -3.75921 43.329 -86.8383 68.9514 PRESSAVG: 2698000 7.09315 19.9407 -6.42037 19.9407 17.6052 -23.666 -6.42039 -23.666 11.349 GPRESSAVG: 2698000 6.62472 20.0179 -6.60629 18.2743 17.3126 -21.2709 -6.32907 -24.7474 11.6064 TIMING: 2698000 CPU: 8521.22, 0.00315607/step Wall: 8521.22, 0.00315607/step, 2.01813 hours remaining, 235.335938 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: 2698000 3966.1111 20308.8829 14459.5281 236.7253 -202588.4643 2246.1744 0.0000 0.0000 51999.0998 -109371.9427 298.8395 -161371.0425 -108999.2143 298.8310 -1.6775 28.2477 761662.8863 12.0158 11.8479 PRESSURE: 2698200 14.252 41.4221 9.6669 41.423 -46.9116 -165.536 9.66715 -165.535 -271.226 GPRESSURE: 2698200 53.8254 -42.915 38.9649 89.2406 -27.6924 -233.943 -149.977 -122.597 -256.51 PRESSAVG: 2698200 -7.97018 19.98 -5.52479 19.9799 -7.7984 -12.6132 -5.52486 -12.6132 -0.801736 GPRESSAVG: 2698200 -6.92813 20.4253 -5.43629 18.4197 -7.34353 -13.0473 -4.77559 -10.6684 -2.25743 TIMING: 2698200 CPU: 8521.85, 0.00316094/step Wall: 8521.85, 0.00316094/step, 2.02107 hours remaining, 235.335938 MB of memory in use. ENERGY: 2698200 4036.5964 20376.5904 14446.7044 252.4833 -203439.6953 2664.9945 0.0000 0.0000 52354.0208 -109308.3054 300.8793 -161662.3263 -108941.9331 299.3600 -101.2953 -76.7922 762032.4208 -5.5234 -5.5097 PRESSURE: 2698400 -267.34 -88.0937 232.406 -88.0943 -94.899 70.7438 232.406 70.7445 -141.027 GPRESSURE: 2698400 -191.89 -65.405 172.171 -48.9065 -77.4904 1.34008 270.079 65.5391 -153.001 PRESSAVG: 2698400 35.6608 -28.2868 24.723 -28.2868 -18.3774 -68.295 24.723 -68.2948 2.30539 GPRESSAVG: 2698400 35.9226 -28.6955 25.3129 -25.4215 -19.5277 -68.7162 22.6836 -68.9118 3.19421 TIMING: 2698400 CPU: 8522.49, 0.0031554/step Wall: 8522.49, 0.0031554/step, 2.01735 hours remaining, 235.335938 MB of memory in use. ENERGY: 2698400 4040.2185 20377.8744 14481.4227 247.1261 -202943.6603 2330.7178 0.0000 0.0000 52095.0006 -109371.3003 299.3907 -161466.3009 -109007.3467 299.4251 -167.7552 -140.7938 761194.9949 6.5296 6.5297 PRESSURE: 2698600 -145.005 -280.354 -23.3464 -280.355 -425.561 -44.1095 -23.3463 -44.1092 -312.392 GPRESSURE: 2698600 -156.712 -294.177 -11.9603 -208.277 -412.124 -51.1888 -33.7741 -13.0617 -223.184 PRESSAVG: 2698600 31.5695 -33.1498 9.03504 -33.1499 -16.1305 -18.0641 9.03506 -18.064 -10.4556 GPRESSAVG: 2698600 29.9687 -33.6169 11.0734 -34.5588 -14.581 -17.3224 9.9434 -16.7198 -10.8236 TIMING: 2698600 CPU: 8523.11, 0.00314032/step Wall: 8523.11, 0.00314032/step, 2.00754 hours remaining, 235.335938 MB of memory in use. ENERGY: 2698600 3972.2743 20690.6344 14519.8728 256.9234 -203218.1299 2399.5939 0.0000 0.0000 51856.6178 -109522.2134 298.0207 -161378.8312 -109172.5608 299.3641 -294.3192 -264.0066 761816.2851 1.6611 1.5214 PRESSURE: 2698800 -5.07757 74.5509 16.0718 74.5505 116.511 -25.2368 16.0721 -25.2351 -93.5462 GPRESSURE: 2698800 -3.08684 -56.1462 12.5916 69.6631 166.208 11.7295 67.7423 -38.6618 -50.5676 PRESSAVG: 2698800 14.6272 6.63474 19.1552 6.63474 -39.4371 52.6958 19.1552 52.6958 1.21577 GPRESSAVG: 2698800 15.3871 5.2255 17.4282 7.52616 -41.3563 51.8434 18.9313 52.9614 1.60142 TIMING: 2698800 CPU: 8523.74, 0.00315358/step Wall: 8523.74, 0.00315358/step, 2.01584 hours remaining, 235.335938 MB of memory in use. ENERGY: 2698800 4006.8490 20407.0146 14483.2845 253.7070 -203703.5206 2964.9508 0.0000 0.0000 52163.6436 -109424.0711 299.7852 -161587.7147 -109057.7861 299.2246 5.9624 37.5179 760464.8338 -7.8647 -8.1226 PRESSURE: 2699000 257.277 -76.6105 247.24 -76.6107 105.652 61.5577 247.24 61.5588 149.911 GPRESSURE: 2699000 312.631 -56.6674 286.729 -146.076 134.828 39.0447 291.187 94.051 147.952 PRESSAVG: 2699000 -79.732 25.3736 33.4798 25.3735 66.2624 37.0465 33.4798 37.0465 12.106 GPRESSAVG: 2699000 -79.7842 26.1921 32.9649 25.5031 66.5753 36.8973 34.6801 34.6893 12.1352 TIMING: 2699000 CPU: 8524.37, 0.00315063/step Wall: 8524.37, 0.00315063/step, 2.01378 hours remaining, 235.335938 MB of memory in use. ENERGY: 2699000 4049.4894 20477.1576 14435.3541 246.1294 -203067.6912 2643.0347 0.0000 0.0000 52106.0392 -109110.4868 299.4541 -161216.5261 -108752.6143 298.9341 170.9467 198.4703 761002.5731 -0.4545 -0.3579 PRESSURE: 2699200 -75.6227 -86.4914 -62.7957 -86.4915 -81.3464 -58.2732 -62.7952 -58.2744 99.5152 GPRESSURE: 2699200 -77.5512 -43.413 47.3701 -150.86 16.5785 -4.53877 -116.65 -175.249 93.7917 PRESSAVG: 2699200 -52.5143 -66.036 35.3351 -66.0361 18.2745 36.2561 35.3351 36.2561 -0.641709 GPRESSAVG: 2699200 -53.4932 -64.2707 36.4535 -65.3508 18.9048 36.5736 34.6254 36.4439 -0.772212 TIMING: 2699200 CPU: 8525, 0.00314593/step Wall: 8525, 0.00314593/step, 2.0106 hours remaining, 235.335938 MB of memory in use. ENERGY: 2699200 3970.6810 20601.3683 14411.1842 244.1994 -203124.2402 2585.2522 0.0000 0.0000 52301.0585 -109010.4967 300.5749 -161311.5552 -108664.0000 299.7845 -19.1513 10.9397 761825.3429 -11.6272 -11.7869 PRESSURE: 2699400 169.464 -21.7784 -28.4679 -21.7787 -159.93 24.403 -28.4674 24.4042 325.869 GPRESSURE: 2699400 169.633 -89.0781 -87.9183 -152.692 -159.621 107.799 -39.4668 -0.364251 415.715 PRESSAVG: 2699400 41.711 -41.6947 36.9281 -41.6947 -21.8595 12.6113 36.9281 12.6113 5.60868 GPRESSAVG: 2699400 43.4825 -44.071 37.4729 -42.4408 -22.7182 11.7148 36.4049 11.8544 4.82014 TIMING: 2699400 CPU: 8525.63, 0.00315294/step Wall: 8525.63, 0.00315294/step, 2.0149 hours remaining, 235.335938 MB of memory in use. ENERGY: 2699400 3958.4744 20610.9794 14455.4703 247.5967 -202843.9228 2362.9754 0.0000 0.0000 51940.5129 -109267.9137 298.5028 -161208.4265 -108923.7698 299.6505 111.8012 141.9089 761104.7940 8.4867 8.5282 PRESSURE: 2699600 -23.907 -1.92269 -124.62 -1.92366 59.9796 57.9385 -124.621 57.939 -170.227 GPRESSURE: 2699600 23.2848 -9.01622 -152.189 70.5434 149.817 107.96 -114.279 16.794 -230.341 PRESSAVG: 2699600 50.3073 -36.4527 23.0921 -36.4527 8.02783 -6.34148 23.092 -6.34155 3.60835 GPRESSAVG: 2699600 49.0985 -33.507 21.2272 -35.6322 8.66518 -5.75168 24.444 -2.81218 4.39377 TIMING: 2699600 CPU: 8526.26, 0.00314447/step Wall: 8526.26, 0.00314447/step, 2.00931 hours remaining, 235.335938 MB of memory in use. ENERGY: 2699600 3929.8260 20413.4462 14472.0260 247.9459 -203374.0347 2729.7438 0.0000 0.0000 52238.1668 -109342.8799 300.2135 -161581.0467 -108974.2547 299.5215 -44.7183 -19.0796 761338.5651 20.6478 20.7191 PRESSURE: 2699800 176.991 5.36163 41.7215 5.36139 149.15 18.3015 41.7217 18.3012 -24.2126 GPRESSURE: 2699800 210.148 -122.308 31.0007 -112.743 232.845 24.8499 140.137 -1.14595 -53.7887 PRESSAVG: 2699800 64.3274 19.7378 11.5983 19.7379 -58.6698 -5.91284 11.5984 -5.91282 18.2519 GPRESSAVG: 2699800 64.2366 19.1116 12.3881 17.3375 -58.6503 -7.96946 12.2152 -6.29981 18.6797 TIMING: 2699800 CPU: 8526.89, 0.00314314/step Wall: 8526.89, 0.00314314/step, 2.0083 hours remaining, 235.335938 MB of memory in use. ENERGY: 2699800 3975.9632 20595.8035 14535.3768 255.3268 -203437.2444 2730.2247 0.0000 0.0000 52074.8648 -109269.6845 299.2750 -161344.5493 -108915.4295 299.3969 100.6428 129.7348 759963.0139 7.9698 8.0887 PRESSURE: 2700000 12.3745 2.27114 -132.907 2.27126 132.972 87.2482 -132.906 87.2487 -234.142 GPRESSURE: 2700000 34.4237 15.8233 -75.7805 -71.4079 149.99 184.122 -113.263 13.1985 -194.506 PRESSAVG: 2700000 17.6245 -13.9456 -5.22573 -13.9456 -10.6017 20.009 -5.22572 20.009 10.8663 GPRESSAVG: 2700000 18.1265 -14.1321 -5.10785 -12.392 -11.58 21.5959 -4.20445 17.5172 11.1744 TIMING: 2700000 CPU: 8527.52, 0.00315336/step Wall: 8527.52, 0.00315336/step, 2.01464 hours remaining, 235.335938 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: 2700000 3930.7327 20470.2048 14513.2049 250.5818 -203140.3921 2620.2001 0.0000 0.0000 52222.9096 -109132.5584 300.1258 -161355.4680 -108770.2717 299.3418 -29.5986 -3.3641 762669.8828 5.9630 5.9070 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.1.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 -331.251 -76.1606 -26.5606 -76.1606 130.645 -260.546 -26.5603 -260.546 79.0606 GPRESSURE: 2700200 -302.526 -92.0132 -61.4245 -21.2147 69.9721 -252.212 -50.7923 -275.274 193.264 PRESSAVG: 2700200 -30.7581 24.8327 3.21773 24.8327 45.8761 2.85647 3.21774 2.85641 -6.02297 GPRESSAVG: 2700200 -30.3253 25.3844 3.79539 24.7713 47.0051 3.44842 1.9072 4.33953 -7.6223 TIMING: 2700200 CPU: 8528.17, 0.00323734/step Wall: 8528.17, 0.00323734/step, 2.06812 hours remaining, 235.335938 MB of memory in use. ENERGY: 2700200 3972.3180 20511.1687 14448.0553 239.9829 -202946.9405 2462.3842 0.0000 0.0000 51975.3823 -109337.6490 298.7032 -161313.0314 -108974.9864 299.0460 -40.5152 -13.0966 761174.1121 3.0317 3.0192 LDB: ============= START OF LOAD BALANCING ============== 8540.7 LDB: ============== END OF LOAD BALANCING =============== 8540.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8540.7 LDB: ============= START OF LOAD BALANCING ============== 8541.02 LDB: Largest compute 7058 load 0.032636 is 16.7% of average load 0.195611 LDB: Average compute 0.004397 is 2.2% of average load 0.195611 LDB: TIME 8541.02 LOAD: AVG 0.195611 MAX 0.216701 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.668 MB LDB: TIME 8541.02 LOAD: AVG 0.195611 MAX 0.216701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.734 MB LDB: TIME 8541.02 LOAD: AVG 0.195611 MAX 0.216701 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.734 MB LDB: ============== END OF LOAD BALANCING =============== 8541.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8541.03 PRESSURE: 2700400 -151.95 139.012 28.1897 139.011 -535.494 133.038 28.1894 133.038 98.1872 GPRESSURE: 2700400 -71.9865 104.465 39.2897 85.4868 -405.052 190.631 28.5947 131.096 -13.9448 PRESSAVG: 2700400 8.22095 -6.46347 2.40948 -6.46356 -24.7357 -53.9087 2.4095 -53.9087 16.069 GPRESSAVG: 2700400 7.10229 -6.53804 2.06789 -8.75849 -25.0934 -54.2137 2.55277 -54.3364 17.4384 TIMING: 2700400 CPU: 8528.81, 0.00321497/step Wall: 8528.81, 0.00321497/step, 2.05365 hours remaining, 234.804688 MB of memory in use. ENERGY: 2700400 4032.5533 20625.6581 14512.3863 240.9797 -202999.5028 2266.0136 0.0000 0.0000 51942.8152 -109379.0966 298.5161 -161321.9118 -109016.7917 299.2207 -196.4192 -163.6612 761438.3458 -0.1486 -0.1842 PRESSURE: 2700600 169.097 -104.417 -37.7358 -104.417 -440.848 166.202 -37.7364 166.201 82.0193 GPRESSURE: 2700600 215.549 -81.2908 -40.4465 -166.866 -380.603 152.402 -100.042 188.533 57.4957 PRESSAVG: 2700600 64.2176 44.731 6.14982 44.7311 -9.70329 11.3482 6.14981 11.3481 0.12285 GPRESSAVG: 2700600 65.4637 43.405 5.60533 46.5772 -10.6724 10.1717 5.77016 12.3395 -0.325347 TIMING: 2700600 CPU: 8529.44, 0.0031543/step Wall: 8529.44, 0.0031543/step, 2.01472 hours remaining, 234.804688 MB of memory in use. ENERGY: 2700600 3960.7444 20479.8609 14464.1223 264.2189 -203298.4268 2644.5236 0.0000 0.0000 52097.1536 -109387.8032 299.4031 -161484.9568 -109033.5511 299.5069 -63.2439 -35.8528 761672.9755 18.2124 18.1553 PRESSURE: 2700800 209.906 56.7455 15.3362 56.7445 -20.3206 39.7635 15.3365 39.764 -134.029 GPRESSURE: 2700800 232.479 17.8528 -35.1411 128.801 -70.9863 81.4726 -63.365 -25.2356 -8.09841 PRESSAVG: 2700800 6.03334 22.8962 2.05208 22.8961 -60.9893 -33.199 2.0521 -33.199 -8.83063 GPRESSAVG: 2700800 5.30703 25.1513 0.656941 22.4284 -59.8432 -32.5507 1.83524 -33.1273 -8.84992 TIMING: 2700800 CPU: 8530.07, 0.00313148/step Wall: 8530.07, 0.00313148/step, 1.99997 hours remaining, 234.804688 MB of memory in use. ENERGY: 2700800 3960.9852 20479.4173 14534.7320 248.7713 -203070.3326 2642.8343 0.0000 0.0000 51862.7903 -109340.8021 298.0562 -161203.5924 -108988.5212 298.8952 18.5191 51.1315 761802.2314 -21.2622 -21.1287 PRESSURE: 2701000 -33.3375 -87.8807 126.354 -87.8813 202.965 278.257 126.355 278.258 258.726 GPRESSURE: 2701000 52.1278 -54.2646 220.768 -98.5488 205.588 239.32 140.328 233.808 266.948 PRESSAVG: 2701000 25.7802 -0.406543 -62.3536 -0.406608 -32.7451 -24.5899 -62.3536 -24.5899 -15.6546 GPRESSAVG: 2701000 26.1951 -3.36376 -60.4197 -0.574524 -33.8402 -24.7304 -61.916 -24.8815 -15.2483 TIMING: 2701000 CPU: 8530.7, 0.00314845/step Wall: 8530.7, 0.00314845/step, 2.01063 hours remaining, 234.804688 MB of memory in use. ENERGY: 2701000 3918.1214 20387.2880 14388.1163 248.9631 -203026.6150 2672.8898 0.0000 0.0000 52164.3219 -109246.9145 299.7891 -161411.2363 -108891.1232 299.2339 142.7845 174.8878 762682.1755 -7.5398 -7.6311 PRESSURE: 2701200 260.859 -38.5769 25.1008 -38.5784 24.0151 19.8558 25.1003 19.8564 126.477 GPRESSURE: 2701200 243.398 -34.9347 -97.4281 -33.7811 84.2951 -2.77583 -166.838 77.0368 174.502 PRESSAVG: 2701200 22.1105 -47.0881 -30.6772 -47.0881 -53.8801 -23.0607 -30.6772 -23.0608 7.78753 GPRESSAVG: 2701200 21.0029 -44.6857 -31.993 -47.8173 -53.0515 -21.5205 -30.6415 -22.0098 8.01135 TIMING: 2701200 CPU: 8531.33, 0.00315292/step Wall: 8531.33, 0.00315292/step, 2.01332 hours remaining, 234.804688 MB of memory in use. ENERGY: 2701200 3972.1104 20508.4261 14491.5017 257.7926 -203038.4296 2567.8072 0.0000 0.0000 52144.2618 -109096.5297 299.6738 -161240.7915 -108736.3063 299.4371 137.1167 167.3983 762696.4249 -7.9940 -8.0124 PRESSURE: 2701400 406.463 230.655 6.26477 230.655 -182.446 142.491 6.26491 142.492 -174.651 GPRESSURE: 2701400 398.068 60.2021 3.64148 136.023 -116.657 66.4244 -76.8035 90.9225 -144.422 PRESSAVG: 2701400 23.8206 -18.3627 23.3942 -18.3628 -20.316 -0.73579 23.3942 -0.735767 24.5996 GPRESSAVG: 2701400 23.642 -18.005 24.7016 -18.2642 -19.6438 -1.41386 23.3166 -0.945984 23.6508 TIMING: 2701400 CPU: 8531.96, 0.0031405/step Wall: 8531.96, 0.0031405/step, 2.00521 hours remaining, 234.804688 MB of memory in use. ENERGY: 2701400 3959.8876 20461.1353 14541.4867 236.4653 -203515.6202 2855.3994 0.0000 0.0000 52334.0987 -109127.1472 300.7648 -161461.2459 -108750.9858 299.6113 16.4553 45.6630 762025.5893 9.3681 9.2163 PRESSURE: 2701600 -201.824 -68.6169 56.4693 -68.6166 64.7915 -171.412 56.4695 -171.412 307.836 GPRESSURE: 2701600 -102.122 -54.5565 151.227 -65.3771 63.5584 -269.168 58.9863 -100.553 290.429 PRESSAVG: 2701600 2.98744 -42.678 -17.3266 -42.678 -15.3091 -30.5217 -17.3265 -30.5216 3.80261 GPRESSAVG: 2701600 3.33964 -42.6417 -18.3582 -41.4166 -15.9121 -30.3199 -17.4305 -32.3568 3.61508 TIMING: 2701600 CPU: 8532.59, 0.00316528/step Wall: 8532.59, 0.00316528/step, 2.02085 hours remaining, 234.804688 MB of memory in use. ENERGY: 2701600 3968.9990 20551.7197 14513.5496 243.1236 -203330.1635 2676.5330 0.0000 0.0000 51833.5731 -109542.6655 297.8883 -161376.2385 -109183.2107 299.5384 56.9345 83.9552 760660.2424 -2.8397 -2.9858 PRESSURE: 2701800 127.51 30.1695 -81.8426 30.1687 71.0057 -22.7351 -81.8434 -22.7346 137.921 GPRESSURE: 2701800 103.507 -55.6446 -62.797 258.15 188.523 18.3163 -162.593 -64.6552 119.382 PRESSAVG: 2701800 -17.913 -18.0402 -0.36897 -18.0403 38.9542 -39.0687 -0.368993 -39.0687 -1.32976 GPRESSAVG: 2701800 -17.7236 -18.8492 0.185417 -17.1311 38.8797 -39.1527 -0.861653 -37.9535 -1.52382 TIMING: 2701800 CPU: 8533.22, 0.00314771/step Wall: 8533.22, 0.00314771/step, 2.00946 hours remaining, 234.804688 MB of memory in use. ENERGY: 2701800 3961.4577 20721.0949 14442.9630 260.7306 -203680.6515 2702.9770 0.0000 0.0000 52035.1381 -109556.2902 299.0467 -161591.4282 -109209.6769 299.1179 112.1455 137.1373 760025.1561 6.5705 6.5441 PRESSURE: 2702000 120.427 -150.332 90.5497 -150.333 175.622 59.1629 90.5494 59.1637 -105.179 GPRESSURE: 2702000 181.126 -205.065 84.7777 -133.016 240.789 -46.3994 -1.27342 123.899 -135.782 PRESSAVG: 2702000 -33.025 -20.0444 -48.3838 -20.0443 69.1538 -26.9785 -48.3838 -26.9785 10.6303 GPRESSAVG: 2702000 -33.0267 -20.0471 -48.5033 -20.5932 68.5462 -27.5841 -47.4016 -28.0334 11.6532 TIMING: 2702000 CPU: 8533.85, 0.00314892/step Wall: 8533.85, 0.00314892/step, 2.01006 hours remaining, 234.804688 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: 2702000 3876.2941 20422.7499 14482.6420 236.8867 -203032.8552 2507.0521 0.0000 0.0000 52101.0945 -109406.1358 299.4257 -161507.2304 -109040.0232 298.9049 63.6232 95.3778 761540.1931 15.5863 15.7242 PRESSURE: 2702200 102.318 -227.709 143.027 -227.71 -15.819 41.0019 143.027 41.0031 -43.0099 GPRESSURE: 2702200 172.438 -284.911 154.134 -152.871 48.0794 30.6475 210.408 47.7409 -78.6581 PRESSAVG: 2702200 -20.9835 -31.1233 29.9222 -31.1234 29.7924 31.7258 29.9222 31.7259 -11.7804 GPRESSAVG: 2702200 -20.5263 -29.2221 31.2121 -32.4234 29.6715 31.6651 27.797 32.3063 -12.5183 TIMING: 2702200 CPU: 8534.48, 0.0031572/step Wall: 8534.48, 0.0031572/step, 2.01517 hours remaining, 234.804688 MB of memory in use. ENERGY: 2702200 4001.9171 20591.0872 14386.9973 220.5022 -203432.6167 2780.6451 0.0000 0.0000 52180.0758 -109271.3919 299.8796 -161451.4677 -108915.0624 299.7951 14.4962 47.2864 760490.2414 -0.9905 -1.1244 PRESSURE: 2702400 92.5591 -226.754 288.455 -226.755 -291.499 -92.2388 288.456 -92.2402 -19.3598 GPRESSURE: 2702400 66.1008 -234.467 190.218 -257.041 -211.757 -38.7262 136.453 -99.3797 3.20642 PRESSAVG: 2702400 46.5802 -50.5508 9.32459 -50.5508 -37.92 -0.396942 9.32459 -0.396909 43.6019 GPRESSAVG: 2702400 46.977 -52.1953 8.4313 -50.5682 -38.4219 -0.935399 10.3163 -0.379653 44.1734 TIMING: 2702400 CPU: 8535.11, 0.00314793/step Wall: 8535.11, 0.00314793/step, 2.00908 hours remaining, 234.804688 MB of memory in use. ENERGY: 2702400 3948.3256 20460.3504 14582.7115 252.6071 -202871.7320 2445.7619 0.0000 0.0000 52051.7883 -109130.1873 299.1423 -161181.9756 -108772.0217 299.8885 -72.7666 -47.4833 762786.8168 17.4207 17.5762 PRESSURE: 2702600 139.168 -41.3081 74.9496 -41.3083 27.9247 -67.873 74.9501 -67.873 -196.126 GPRESSURE: 2702600 60.9255 -143.68 66.2813 -0.734159 89.8337 -8.6176 -2.05369 -23.163 -98.3315 PRESSAVG: 2702600 26.5886 -33.9307 -12.2156 -33.9307 26.9492 -3.91226 -12.2156 -3.91226 9.14048 GPRESSAVG: 2702600 25.7734 -33.2705 -13.4214 -35.0979 27.4713 -3.30838 -12.017 -2.33395 9.23756 TIMING: 2702600 CPU: 8535.74, 0.00313662/step Wall: 8535.74, 0.00313662/step, 2.00169 hours remaining, 234.804688 MB of memory in use. ENERGY: 2702600 4035.0015 20508.5985 14475.9729 250.6054 -203008.9503 2425.6681 0.0000 0.0000 51848.6989 -109464.4049 297.9752 -161313.1038 -109101.3553 299.2407 -9.6776 17.4759 761699.3025 20.8928 20.8274 PRESSURE: 2702800 82.6561 338.141 74.7167 338.141 -55.6986 3.7749 74.7161 3.77549 363.535 GPRESSURE: 2702800 112.849 351.635 19.8869 263.363 28.2205 20.4473 264.655 3.28149 362.48 PRESSAVG: 2702800 -24.8155 -28.6066 -37.7981 -28.6066 39.2702 17.5774 -37.798 17.5774 -9.40756 GPRESSAVG: 2702800 -24.1908 -28.5397 -38.6011 -28.1998 39.6851 16.2524 -37.5857 17.7658 -10.0568 TIMING: 2702800 CPU: 8536.37, 0.00315256/step Wall: 8536.37, 0.00315256/step, 2.01168 hours remaining, 234.804688 MB of memory in use. ENERGY: 2702800 3959.3283 20500.1276 14514.0206 251.0345 -203077.1385 2787.6436 0.0000 0.0000 52003.2556 -109061.7282 298.8634 -161064.9838 -108699.5471 299.0505 130.1640 167.8498 763484.8132 1.6824 1.8125 PRESSURE: 2703000 -263.213 238.525 32.5383 238.524 -299.619 149.997 32.5378 149.997 -245.796 GPRESSURE: 2703000 -185.395 226.231 0.823725 203.571 -162.567 238.034 -41.7575 176.667 -372.273 PRESSAVG: 2703000 -13.0257 18.2645 4.37068 18.2645 22.602 -3.05153 4.37062 -3.05155 4.04593 GPRESSAVG: 2703000 -13.1537 17.6624 5.09879 21.1047 23.7884 -2.16792 3.6498 -3.40142 3.42194 TIMING: 2703000 CPU: 8537, 0.00316352/step Wall: 8537, 0.00316352/step, 2.0185 hours remaining, 234.804688 MB of memory in use. ENERGY: 2703000 3978.8061 20429.7056 14496.6302 260.6499 -203002.3625 2556.2689 0.0000 0.0000 52271.2679 -109009.0339 300.4037 -161280.3017 -108647.7605 299.5595 -269.5425 -240.0784 763579.0109 4.5407 4.6856 PRESSURE: 2703200 -9.01957 -68.404 223.581 -68.4047 85.3134 -232.215 223.581 -232.216 175.101 GPRESSURE: 2703200 102.711 1.15505 125.005 -113.446 41.1226 -195.606 323.695 -22.5574 188.51 PRESSAVG: 2703200 31.1183 36.1081 26.2202 36.108 0.924957 10.9098 26.2202 10.9099 21.6911 GPRESSAVG: 2703200 32.3135 35.4161 26.7572 34.8003 0.380507 9.55312 25.3507 12.5038 21.1607 TIMING: 2703200 CPU: 8537.63, 0.00313581/step Wall: 8537.63, 0.00313581/step, 2.00064 hours remaining, 234.804688 MB of memory in use. ENERGY: 2703200 3970.5926 20471.6880 14500.5531 240.3881 -202992.5637 2635.1485 0.0000 0.0000 52312.2168 -108861.9764 300.6390 -161174.1933 -108496.8346 300.3144 83.7982 110.7812 762869.9137 17.9115 17.9516 PRESSURE: 2703400 -58.3443 55.1771 144.898 55.1774 -48.8737 -271.202 144.898 -271.203 70.5269 GPRESSURE: 2703400 86.1103 13.3733 153.193 75.7735 -65.6393 -246.637 126.899 -282.794 16.4206 PRESSAVG: 2703400 -19.6385 -29.8318 -2.80121 -29.8319 -26.5076 -38.855 -2.80121 -38.855 -10.5265 GPRESSAVG: 2703400 -19.7495 -28.8109 -2.08472 -31.0598 -26.6878 -38.2809 -1.83343 -40.2144 -10.2839 TIMING: 2703400 CPU: 8538.25, 0.0031232/step Wall: 8538.25, 0.0031232/step, 1.99243 hours remaining, 234.804688 MB of memory in use. ENERGY: 2703400 4045.9626 20571.7416 14476.5179 240.1153 -203173.0642 2803.6516 0.0000 0.0000 52113.6278 -108921.4475 299.4977 -161035.0752 -108555.8487 300.2584 -12.2304 12.2972 762014.5915 -18.8909 -18.9071 PRESSURE: 2703600 -25.1676 -55.5865 -153.331 -55.5864 -209.431 14.7103 -153.329 14.71 -369.99 GPRESSURE: 2703600 17.0483 5.56963 6.23537 -27.5124 -139.45 -53.0574 -126.551 24.8117 -385.967 PRESSAVG: 2703600 35.2126 -78.8847 11.9236 -78.8847 -28.2059 16.2495 11.9236 16.2495 4.84646 GPRESSAVG: 2703600 35.8189 -78.144 11.5415 -78.6709 -28.6698 16.0685 10.9287 18.4377 4.76808 TIMING: 2703600 CPU: 8538.88, 0.0031398/step Wall: 8538.88, 0.0031398/step, 2.00284 hours remaining, 234.804688 MB of memory in use. ENERGY: 2703600 4022.2393 20572.6343 14523.5572 256.8827 -202829.1878 2466.1027 0.0000 0.0000 52117.7302 -108870.0415 299.5213 -160987.7717 -108510.6526 299.8189 -201.5295 -169.4563 763110.4582 3.9511 3.9724 PRESSURE: 2703800 279.999 113.085 6.22218 113.085 376.06 29.5546 6.22104 29.5553 -34.3582 GPRESSURE: 2703800 219.895 17.7994 -24.7768 49.0099 516.844 60.9456 67.7133 131.03 -22.7756 PRESSAVG: 2703800 33.1686 10.3846 21.1974 10.3846 -17.5895 4.41704 21.1975 4.41706 0.107162 GPRESSAVG: 2703800 31.1628 7.3685 22.3502 10.8655 -16.1852 7.00836 22.7305 0.164365 0.812436 TIMING: 2703800 CPU: 8539.51, 0.00314264/step Wall: 8539.51, 0.00314264/step, 2.00448 hours remaining, 234.804688 MB of memory in use. ENERGY: 2703800 3978.3292 20533.8682 14428.1316 255.5205 -203250.5987 2824.3543 0.0000 0.0000 52342.6621 -108887.7328 300.8140 -161230.3949 -108528.5655 299.9911 207.2335 237.9877 761932.8043 5.2288 5.2633 PRESSURE: 2704000 199.045 233.373 -118.327 233.372 -230.575 -226.335 -118.327 -226.336 4.30622 GPRESSURE: 2704000 248.961 159.917 -218.162 173.065 -148.475 -189.389 10.3309 -154.011 -50.2538 PRESSAVG: 2704000 -9.1533 -20.3913 -0.618802 -20.3914 -8.68543 -14.5168 -0.618799 -14.5168 -11.2286 GPRESSAVG: 2704000 -8.37829 -19.3399 -0.0515666 -21.2524 -9.46034 -15.9299 -2.95751 -12.7735 -10.8471 TIMING: 2704000 CPU: 8540.14, 0.00314006/step Wall: 8540.14, 0.00314006/step, 2.00266 hours remaining, 234.804688 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: 2704000 3941.0659 20471.9768 14446.9251 268.0958 -203145.3017 2752.7128 0.0000 0.0000 52340.4659 -108924.0594 300.8014 -161264.5253 -108558.8232 300.4930 -9.0745 16.7442 762864.6546 -9.6891 -9.5619 PRESSURE: 2704200 44.3102 -129.47 -75.9415 -129.471 -161.55 153.543 -75.9422 153.543 -213.578 GPRESSURE: 2704200 58.9453 -200.021 -65.7796 -286.141 -94.1461 158.921 16.231 139.989 -187.354 PRESSAVG: 2704200 12.259 -19.04 -6.11042 -19.04 -20.9607 -22.3984 -6.11049 -22.3983 -17.303 GPRESSAVG: 2704200 12.146 -20.3426 -7.92756 -19.999 -19.7354 -22.4514 -3.79257 -21.7933 -18.6118 TIMING: 2704200 CPU: 8540.77, 0.00315526/step Wall: 8540.77, 0.00315526/step, 2.01218 hours remaining, 234.804688 MB of memory in use. ENERGY: 2704200 4007.1020 20530.6440 14397.2155 237.8460 -202682.7474 2223.5710 0.0000 0.0000 52551.2686 -108735.1002 302.0129 -161286.3688 -108372.8435 299.9826 -110.2724 -74.1850 763751.6264 -8.6682 -8.7338 LDB: ============= START OF LOAD BALANCING ============== 8553.3 LDB: ============== END OF LOAD BALANCING =============== 8553.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8553.31 LDB: ============= START OF LOAD BALANCING ============== 8553.62 LDB: Largest compute 7026 load 0.032276 is 16.5% of average load 0.195509 LDB: Average compute 0.004375 is 2.2% of average load 0.195509 LDB: TIME 8553.62 LOAD: AVG 0.195509 MAX 0.216491 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.805 MB LDB: TIME 8553.62 LOAD: AVG 0.195509 MAX 0.216491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: TIME 8553.62 LOAD: AVG 0.195509 MAX 0.216491 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.898 MB LDB: ============== END OF LOAD BALANCING =============== 8553.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8553.63 PRESSURE: 2704400 238.449 -221.435 124.195 -221.435 139.152 136.579 124.195 136.578 92.4096 GPRESSURE: 2704400 207.461 -86.5557 142.96 -161.344 173.9 109.081 53.4591 143.754 144.96 PRESSAVG: 2704400 37.0223 -81.0334 33.1422 -81.0334 14.1703 -10.5612 33.1423 -10.5612 -2.56157 GPRESSAVG: 2704400 36.2121 -78.6897 31.7978 -79.0175 13.8776 -11.2666 32.1779 -9.90467 -1.62554 TIMING: 2704400 CPU: 8541.41, 0.00321725/step Wall: 8541.41, 0.00321725/step, 2.05153 hours remaining, 234.929688 MB of memory in use. ENERGY: 2704400 3906.8631 20619.6135 14446.7216 267.1830 -203306.3775 2836.4740 0.0000 0.0000 52314.9808 -108914.5415 300.6549 -161229.5223 -108549.7174 299.9654 156.6702 175.4404 761956.3702 16.2103 16.1547 PRESSURE: 2704600 -58.4265 331.359 -107.022 331.36 -269.428 -62.3267 -107.023 -62.3282 98.768 GPRESSURE: 2704600 -10.608 378.576 -151.812 261.162 -250.786 -89.9903 -159.728 -42.1392 128.887 PRESSAVG: 2704600 44.8212 -16.5765 16.5144 -16.5765 -53.3369 -18.9784 16.5144 -18.9784 -7.42184 GPRESSAVG: 2704600 45.8041 -18.3495 18.1962 -14.9568 -54.0227 -16.4108 15.6702 -20.9441 -7.66602 TIMING: 2704600 CPU: 8542.04, 0.00314906/step Wall: 8542.04, 0.00314906/step, 2.00787 hours remaining, 235.132812 MB of memory in use. ENERGY: 2704600 3992.1070 20351.3314 14536.8365 242.9581 -202981.9510 2644.4752 0.0000 0.0000 52413.0915 -108801.1514 301.2188 -161214.2429 -108434.8220 299.8462 -76.3622 -44.1689 763295.1450 -5.3125 -5.2949 PRESSURE: 2704800 -75.4956 -175.01 45.4493 -175.01 41.4096 -15.1853 45.4496 -15.1844 93.8972 GPRESSURE: 2704800 -42.8735 -213.018 46.9249 -73.9816 21.5952 -66.3947 135.525 -41.569 154.794 PRESSAVG: 2704800 -10.7625 35.8198 38.7074 35.8197 -7.52591 -0.333976 38.7074 -0.333932 -0.765727 GPRESSAVG: 2704800 -12.1497 35.6393 39.1385 34.7099 -6.88146 -2.02733 39.4101 2.05651 -0.128118 TIMING: 2704800 CPU: 8542.67, 0.00314297/step Wall: 8542.67, 0.00314297/step, 2.00382 hours remaining, 235.132812 MB of memory in use. ENERGY: 2704800 3956.5536 20548.5974 14401.2070 252.9831 -202669.0578 2442.2233 0.0000 0.0000 52497.4652 -108570.0281 301.7037 -161067.4933 -108212.9533 300.9728 19.9371 44.5054 764266.5254 -6.3514 -6.3864 PRESSURE: 2705000 -312.079 95.4498 36.0038 95.4499 -146.453 -185.999 36.0056 -185.998 -165.661 GPRESSURE: 2705000 -281.901 51.7114 98.712 37.1589 -134.46 -129.222 -76.4792 -271.341 -145.307 PRESSAVG: 2705000 -48.6101 -2.88723 29.2256 -2.88715 42.3101 -16.6209 29.2256 -16.6209 -9.64264 GPRESSAVG: 2705000 -47.7006 -3.29613 28.433 -3.72793 41.7043 -16.1031 29.4209 -18.4863 -10.2925 TIMING: 2705000 CPU: 8543.3, 0.00314075/step Wall: 8543.3, 0.00314075/step, 2.00223 hours remaining, 235.132812 MB of memory in use. ENERGY: 2705000 3974.2605 20682.6046 14444.8499 245.2393 -202921.6447 2601.1339 0.0000 0.0000 52340.2980 -108633.2586 300.8004 -160973.5566 -108271.8235 300.8733 -208.0644 -187.2224 764736.4017 -5.3142 -5.4296 PRESSURE: 2705200 125.549 -168.386 -144.954 -168.386 -31.8223 -42.3846 -144.955 -42.3848 27.9785 GPRESSURE: 2705200 169.144 -175.91 -181.925 -151.603 16.94 -101.284 -214.474 -41.9213 23.0736 PRESSAVG: 2705200 74.2058 -0.0836007 -20.8219 -0.0835641 -36.2356 -48.1705 -20.8219 -48.1706 17.1453 GPRESSAVG: 2705200 73.5053 2.69255 -20.2883 -0.506278 -34.6165 -47.9187 -21.6685 -47.5174 16.4708 TIMING: 2705200 CPU: 8543.93, 0.00313371/step Wall: 8543.93, 0.00313371/step, 1.99757 hours remaining, 235.132812 MB of memory in use. ENERGY: 2705200 3912.2775 20616.8391 14474.3515 221.8364 -203018.6057 2691.7659 0.0000 0.0000 52238.9267 -108862.6085 300.2178 -161101.5352 -108511.0242 300.1854 40.5683 69.7193 764514.4066 18.3718 18.4532 PRESSURE: 2705400 515.639 46.6795 76.7257 46.6794 368.676 -106.854 76.726 -106.855 405.23 GPRESSURE: 2705400 441.68 9.50612 132.593 8.451 478.063 -111.717 -37.2889 -152.895 466.02 PRESSAVG: 2705400 -21.2219 -19.9495 41.4137 -19.9495 10.3586 -28.5003 41.4135 -28.5004 2.39746 GPRESSAVG: 2705400 -20.2516 -20.267 43.1363 -20.2183 9.66852 -28.1656 41.1845 -29.1894 2.56256 TIMING: 2705400 CPU: 8544.56, 0.00315356/step Wall: 8544.56, 0.00315356/step, 2.01005 hours remaining, 235.132812 MB of memory in use. ENERGY: 2705400 4064.0413 20482.6202 14509.0313 254.3795 -203526.0262 2875.2549 0.0000 0.0000 52324.8287 -109015.8702 300.7115 -161340.6989 -108647.4860 299.6949 429.8483 461.9211 762813.4206 -2.8220 -2.6735 PRESSURE: 2705600 -21.8117 -134.006 10.5412 -134.006 -34.2048 -69.3633 10.5406 -69.3627 26.7845 GPRESSURE: 2705600 44.3533 -161.264 -44.8678 12.3164 -33.0642 -88.9519 -12.4524 -151.224 39.8948 PRESSAVG: 2705600 -12.2335 -15.7443 19.1218 -15.7442 1.98574 16.1129 19.1218 16.1129 -14.5117 GPRESSAVG: 2705600 -11.6984 -15.2344 17.8976 -14.8956 0.736769 15.3878 17.326 15.5118 -13.8666 TIMING: 2705600 CPU: 8545.19, 0.00316226/step Wall: 8545.19, 0.00316226/step, 2.01541 hours remaining, 235.132812 MB of memory in use. ENERGY: 2705600 3985.0071 20514.2564 14448.4770 252.6920 -202959.5279 2428.5458 0.0000 0.0000 51959.1870 -109371.3626 298.6102 -161330.5496 -109001.4720 299.6433 -9.7440 17.0613 762074.6723 -8.2532 -8.2761 PRESSURE: 2705800 -32.6501 -29.4934 -119.365 -29.4928 140.773 84.6234 -119.364 84.6238 -84.5277 GPRESSURE: 2705800 93.2038 -62.4702 -38.1088 -109.475 133.111 94.836 -60.4652 164.693 -112.564 PRESSAVG: 2705800 19.9284 21.0114 66.7381 21.0115 -1.15446 -3.15394 66.7382 -3.15392 11.2317 GPRESSAVG: 2705800 20.5274 19.1608 66.8821 21.1753 -0.927424 -3.97801 68.4552 -1.0651 11.0178 TIMING: 2705800 CPU: 8545.82, 0.00316737/step Wall: 8545.82, 0.00316737/step, 2.01849 hours remaining, 235.132812 MB of memory in use. ENERGY: 2705800 3978.5144 20584.7039 14488.0808 265.4890 -203342.6934 2617.1487 0.0000 0.0000 51940.5723 -109468.1842 298.5032 -161408.7566 -109109.3669 299.1412 7.8650 37.9168 762727.5486 10.0019 10.2059 PRESSURE: 2706000 34.9561 -138.033 1.97364 -138.033 75.6683 -76.9583 1.97347 -76.9588 363.206 GPRESSURE: 2706000 122.856 -123.955 40.7676 -143.824 23.2859 -128.489 -9.89893 98.4219 406.485 PRESSAVG: 2706000 -11.8925 -27.6509 -65.0573 -27.6509 0.206902 62.496 -65.0573 62.4961 25.9569 GPRESSAVG: 2706000 -12.0187 -27.7101 -65.4041 -27.7213 -0.0662398 62.5558 -63.5523 62.0642 25.6464 TIMING: 2706000 CPU: 8546.45, 0.00315489/step Wall: 8546.45, 0.00315489/step, 2.01037 hours remaining, 235.132812 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: 2706000 4057.1240 20299.5033 14493.1581 237.7981 -203471.2663 2813.1479 0.0000 0.0000 52159.0600 -109411.4748 299.7588 -161570.5348 -109056.2591 298.6525 157.9434 184.2090 762915.2243 4.7571 4.5205 PRESSURE: 2706200 301.412 -14.602 -255.042 -14.6012 267.264 -198.095 -255.042 -198.095 -171.72 GPRESSURE: 2706200 387.8 -115.809 -256.01 44.1676 277.784 -113.58 -144.65 -310.899 -188.898 PRESSAVG: 2706200 -33.5878 -32.5009 -24.3688 -32.5009 -2.53824 54.9945 -24.3688 54.9945 7.12895 GPRESSAVG: 2706200 -34.1255 -32.9984 -23.3395 -34.2544 -1.30518 55.5419 -25.0766 54.2962 7.07435 TIMING: 2706200 CPU: 8547.08, 0.00313501/step Wall: 8547.08, 0.00313501/step, 1.99752 hours remaining, 235.132812 MB of memory in use. ENERGY: 2706200 3977.1875 20629.2568 14472.5418 233.8354 -203580.6406 2761.6463 0.0000 0.0000 51986.7787 -109519.3942 298.7687 -161506.1729 -109171.2917 298.8597 132.3186 158.8955 761393.8457 -9.6657 -9.4521 PRESSURE: 2706400 -0.417613 33.5004 17.0198 33.5002 137.354 258.758 17.0192 258.758 230.469 GPRESSURE: 2706400 152.32 9.12415 70.2451 -8.30134 123.879 223.871 -35.6468 90.2995 167.546 PRESSAVG: 2706400 -3.36348 -25.192 -22.4571 -25.192 -3.21003 -18.196 -22.4571 -18.196 6.77642 GPRESSAVG: 2706400 -3.32449 -24.0829 -22.2269 -23.7694 -3.46312 -18.2747 -23.5743 -19.2723 7.61288 TIMING: 2706400 CPU: 8547.71, 0.00315094/step Wall: 8547.71, 0.00315094/step, 2.0075 hours remaining, 235.132812 MB of memory in use. ENERGY: 2706400 3978.5022 20534.3924 14491.0489 249.2120 -203649.7939 2646.2844 0.0000 0.0000 52346.0857 -109404.2684 300.8337 -161750.3541 -109046.3287 299.1087 122.4685 147.9149 761276.6577 0.0676 0.2751 PRESSURE: 2706600 26.9227 -154.122 166.716 -154.122 -77.7917 5.93056 166.717 5.93013 228.3 GPRESSURE: 2706600 95.1064 -118.242 238.775 -86.4831 -59.424 -57.4651 122.54 -45.8897 242.54 PRESSAVG: 2706600 17.1131 -2.10275 -14.7956 -2.10281 11.5644 -0.399007 -14.7956 -0.39903 25.9244 GPRESSAVG: 2706600 17.9549 -1.47618 -15.4068 -2.43524 11.6629 -0.703672 -15.9323 2.3222 25.0776 TIMING: 2706600 CPU: 8548.34, 0.00314854/step Wall: 8548.34, 0.00314854/step, 2.00579 hours remaining, 235.132812 MB of memory in use. ENERGY: 2706600 3989.8441 20447.6382 14534.5844 241.3538 -203100.5105 2580.9679 0.0000 0.0000 51875.4717 -109430.6504 298.1290 -161306.1221 -109068.7040 299.7059 59.1438 92.7409 762039.2007 18.2006 18.2318 PRESSURE: 2706800 186.488 6.75809 83.228 6.75772 232.925 101.802 83.228 101.802 -217.851 GPRESSURE: 2706800 220.123 -50.7734 138.112 -15.6415 240.722 119.708 109.737 69.6223 -178.426 PRESSAVG: 2706800 -63.2151 -43.5068 -33.6483 -43.5068 33.896 60.7692 -33.6484 60.7692 -20.2281 GPRESSAVG: 2706800 -63.2195 -43.0179 -34.6745 -42.2809 33.3123 63.0256 -31.5861 56.8759 -19.7705 TIMING: 2706800 CPU: 8548.97, 0.00313072/step Wall: 8548.97, 0.00313072/step, 1.99427 hours remaining, 235.132812 MB of memory in use. ENERGY: 2706800 4029.5573 20557.3732 14427.5682 256.2174 -203663.7483 2900.1087 0.0000 0.0000 52183.4373 -109309.4862 299.8989 -161492.9234 -108956.2763 299.0881 67.1875 94.1396 760090.2919 -16.5157 -16.5592 PRESSURE: 2707000 545.199 161.763 -283.359 161.763 184.696 111.862 -283.359 111.862 21.5757 GPRESSURE: 2707000 513.354 140.981 -332.743 154.538 263.411 58.5281 -214.272 60.4771 31.3161 PRESSAVG: 2707000 8.40012 -22.3229 -54.5914 -22.3229 21.0041 -21.8576 -54.5915 -21.8577 -21.9956 GPRESSAVG: 2707000 8.19411 -24.2844 -54.6748 -22.5294 20.3987 -23.7282 -54.6724 -18.9746 -21.1728 TIMING: 2707000 CPU: 8549.6, 0.00314164/step Wall: 8549.6, 0.00314164/step, 2.00105 hours remaining, 235.132812 MB of memory in use. ENERGY: 2707000 4032.9482 20566.7837 14397.8796 239.2566 -203629.9518 2893.4582 0.0000 0.0000 52403.7204 -109095.9051 301.1649 -161499.6255 -108732.6272 299.9534 250.4902 269.3605 760367.1571 2.4695 2.4733 PRESSURE: 2707200 17.9862 -35.2157 -27.5533 -35.2151 -0.486945 -29.3319 -27.553 -29.331 -217.176 GPRESSURE: 2707200 39.915 -131.404 -79.043 55.6782 63.7843 -68.4373 60.2918 -114.064 -208.008 PRESSAVG: 2707200 39.199 -25.9009 -46.8786 -25.901 -7.08714 7.46581 -46.8786 7.46577 -11.3043 GPRESSAVG: 2707200 39.5697 -24.245 -46.4525 -25.701 -5.8688 8.21049 -48.5383 6.32077 -12.0617 TIMING: 2707200 CPU: 8550.22, 0.00314112/step Wall: 8550.22, 0.00314112/step, 2.00054 hours remaining, 235.324219 MB of memory in use. ENERGY: 2707200 4017.1729 20532.5315 14513.7384 263.5562 -203101.5489 2826.8017 0.0000 0.0000 51879.9772 -109067.7710 298.1549 -160947.7482 -108707.6624 300.0727 -66.5590 -34.7696 763360.8621 6.9358 7.2131 PRESSURE: 2707400 41.7894 -10.2852 83.0243 -10.2847 -51.1695 168.464 83.025 168.464 373.588 GPRESSURE: 2707400 9.33682 -128.573 52.5931 110.234 86.2812 238.785 154.255 106.72 372.005 PRESSAVG: 2707400 -14.8474 3.96266 -14.0661 3.96274 17.6884 47.2292 -14.066 47.2292 3.58929 GPRESSAVG: 2707400 -16.4003 2.82957 -14.4085 4.04785 18.2664 46.8864 -11.749 45.6564 4.48272 TIMING: 2707400 CPU: 8550.85, 0.00314606/step Wall: 8550.85, 0.00314606/step, 2.00352 hours remaining, 235.324219 MB of memory in use. ENERGY: 2707400 3981.1271 20388.0089 14497.0689 275.6841 -203295.0563 2773.1905 0.0000 0.0000 52388.9946 -108990.9821 301.0803 -161379.9767 -108624.0580 299.7481 121.4026 155.8743 762340.5031 2.1434 2.1163 PRESSURE: 2707600 -73.1945 51.8806 -0.0692718 51.881 -125.567 -116.145 -0.0703498 -116.145 -387.502 GPRESSURE: 2707600 -62.2284 42.805 103.958 95.7718 -142.047 -59.6175 -141.993 -132.13 -313.9 PRESSAVG: 2707600 19.5407 -12.9521 -8.24634 -12.9521 40.5948 24.998 -8.24633 24.9979 1.10358 GPRESSAVG: 2707600 21.8764 -12.2548 -8.16002 -13.9729 39.1857 24.5507 -9.7061 28.3271 -0.207609 TIMING: 2707600 CPU: 8551.48, 0.00314166/step Wall: 8551.48, 0.00314166/step, 2.00054 hours remaining, 235.324219 MB of memory in use. ENERGY: 2707600 3984.9572 20620.9427 14524.1934 254.4139 -202664.7784 2191.3548 0.0000 0.0000 52026.2778 -109062.6386 298.9957 -161088.9164 -108697.0689 299.5316 -195.4214 -172.7249 762605.4414 20.4130 20.2849 PRESSURE: 2707800 -240.448 -173.045 43.6918 -173.046 -50.1286 180.797 43.6923 180.796 -206.78 GPRESSURE: 2707800 -207.952 -137.756 -3.12725 -107.92 -40.847 58.2668 82.8837 123.539 -147.172 PRESSAVG: 2707800 3.55966 -75.729 12.3132 -75.729 50.5846 -21.5969 12.3133 -21.5969 -2.04845 GPRESSAVG: 2707800 3.46588 -76.5698 11.1868 -75.793 50.4873 -23.5833 11.4014 -21.8158 -2.21798 TIMING: 2707800 CPU: 8552.11, 0.00315282/step Wall: 8552.11, 0.00315282/step, 2.00747 hours remaining, 235.324219 MB of memory in use. ENERGY: 2707800 3964.2972 20440.5711 14493.4858 260.4488 -202959.3179 2356.4602 0.0000 0.0000 52104.2735 -109339.7814 299.4440 -161444.0548 -108980.2974 299.3211 -165.7858 -131.9903 760509.0660 17.3653 17.2451 PRESSURE: 2708000 -98.2495 -71.4725 -66.5735 -71.473 279.759 183.92 -66.573 183.921 23.3262 GPRESSURE: 2708000 -114.011 -1.11099 -44.0091 -26.1579 316.146 105.576 -86.5718 216.333 80.6599 PRESSAVG: 2708000 -9.80533 -6.44593 -36.2961 -6.44596 63.848 18.8142 -36.2961 18.8142 -28.5794 GPRESSAVG: 2708000 -10.196 -6.24786 -34.575 -6.02493 62.8833 21.7169 -36.1288 16.7336 -27.3542 TIMING: 2708000 CPU: 8552.74, 0.00314478/step Wall: 8552.74, 0.00314478/step, 2.00218 hours remaining, 235.324219 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: 2708000 3948.4176 20517.6411 14526.0424 235.0659 -203399.4726 2621.8743 0.0000 0.0000 52017.6808 -109532.7504 298.9463 -161550.4312 -109164.8297 299.7826 68.2785 94.2649 760750.1398 8.4878 8.4444 PRESSURE: 2708200 62.6673 -83.5763 -346.1 -83.5778 60.7284 237.414 -346.101 237.415 171.978 GPRESSURE: 2708200 171.35 -58.6291 -361.891 -201.098 47.4123 135.938 -291.661 306.457 135.857 PRESSAVG: 2708200 -6.71051 -25.7316 -19.8938 -25.7316 38.1123 3.36196 -19.8938 3.36197 15.8447 GPRESSAVG: 2708200 -7.4711 -26.4144 -20.4009 -24.6557 39.8837 1.94156 -17.3656 6.03473 15.0089 TIMING: 2708200 CPU: 8553.37, 0.00313418/step Wall: 8553.37, 0.00313418/step, 1.99526 hours remaining, 235.324219 MB of memory in use. ENERGY: 2708200 3969.1353 20385.8732 14508.0393 229.1298 -203730.0950 3059.9514 0.0000 0.0000 52054.3486 -109523.6174 299.1571 -161577.9660 -109160.0917 298.8819 98.4581 118.2066 762925.1768 15.7488 15.8072 LDB: ============= START OF LOAD BALANCING ============== 8565.9 LDB: ============== END OF LOAD BALANCING =============== 8565.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8565.9 LDB: ============= START OF LOAD BALANCING ============== 8566.21 LDB: Largest compute 7026 load 0.030298 is 15.5% of average load 0.195529 LDB: Average compute 0.004358 is 2.2% of average load 0.195529 LDB: TIME 8566.22 LOAD: AVG 0.195529 MAX 0.213895 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.375 MB LDB: TIME 8566.22 LOAD: AVG 0.195529 MAX 0.213895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: TIME 8566.22 LOAD: AVG 0.195529 MAX 0.213895 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: ============== END OF LOAD BALANCING =============== 8566.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8566.22 PRESSURE: 2708400 -115.148 -39.8321 -47.3375 -39.8323 98.8714 72.9837 -47.3381 72.9833 -335.95 GPRESSURE: 2708400 -95.6119 -9.56539 24.7958 -59.5783 135.707 119.8 -86.2758 184.081 -308.572 PRESSAVG: 2708400 -82.979 -53.468 -26.987 -53.468 60.6014 4.27277 -26.987 4.27273 -8.9306 GPRESSAVG: 2708400 -82.8481 -54.1616 -25.4243 -53.0922 59.2732 4.39023 -28.4796 2.40453 -7.74021 TIMING: 2708400 CPU: 8554.01, 0.00319505/step Wall: 8554.01, 0.00319505/step, 2.03383 hours remaining, 235.632812 MB of memory in use. ENERGY: 2708400 3932.1636 20520.1172 14457.9238 258.5615 -203123.2206 2557.6400 0.0000 0.0000 51916.4120 -109480.4025 298.3643 -161396.8144 -109127.7231 298.6353 -117.4090 -89.4923 761695.2897 -10.4361 -10.4384 PRESSURE: 2708600 -362.522 -101.807 -42.3315 -101.806 -210.697 -78.2237 -42.331 -78.2251 -338.509 GPRESSURE: 2708600 -371.344 -95.0415 -20.5098 -52.8587 -127.261 -123.907 -132.088 -202.395 -339.517 PRESSAVG: 2708600 -40.0521 -40.4884 -16.4388 -40.4885 10.571 18.7832 -16.4389 18.7831 20.8418 GPRESSAVG: 2708600 -39.496 -37.1392 -17.3356 -42.5174 10.2112 18.2708 -17.1148 18.2245 19.719 TIMING: 2708600 CPU: 8554.64, 0.00314405/step Wall: 8554.64, 0.00314405/step, 2.00119 hours remaining, 235.906250 MB of memory in use. ENERGY: 2708600 4004.8478 20344.7201 14439.8084 236.0473 -203029.7812 2441.5979 0.0000 0.0000 52060.2201 -109502.5396 299.1908 -161562.7597 -109138.5118 298.8995 -303.9095 -279.3740 762794.2557 -2.8798 -3.1886 PRESSURE: 2708800 -455.807 120.689 9.76463 120.689 63.8151 -194.869 9.76372 -194.868 126.873 GPRESSURE: 2708800 -475.317 -32.2984 3.70152 125.571 147.481 -246.909 44.3539 -169.754 142.791 PRESSAVG: 2708800 -18.2208 -9.36491 -22.9842 -9.36484 -0.903494 15.6347 -22.9843 15.6348 -27.2383 GPRESSAVG: 2708800 -19.6747 -12.1593 -23.6714 -8.87865 -0.810651 15.2612 -20.3925 14.0117 -25.8422 TIMING: 2708800 CPU: 8555.26, 0.00313813/step Wall: 8555.26, 0.00313814/step, 1.99725 hours remaining, 235.906250 MB of memory in use. ENERGY: 2708800 4035.7097 20444.5414 14442.2859 258.4873 -202426.0662 2106.8903 0.0000 0.0000 51908.3272 -109229.8243 298.3179 -161138.1516 -108871.3399 298.9373 -88.3731 -61.6818 762366.8404 -15.4542 -15.4425 PRESSURE: 2709000 194.315 -69.5993 -93.7635 -69.5993 209.792 163.964 -93.7637 163.963 -50.439 GPRESSURE: 2709000 177.376 -91.0731 -104.967 -15.5926 263.642 220.596 -122.308 165.283 -2.60142 PRESSAVG: 2709000 15.6621 -21.6635 -53.2834 -21.6635 -33.6287 -42.5809 -53.2834 -42.5809 11.4229 GPRESSAVG: 2709000 15.6627 -21.2163 -51.0228 -20.2384 -33.3892 -42.0534 -54.1213 -41.5256 11.4747 TIMING: 2709000 CPU: 8555.89, 0.00314034/step Wall: 8555.89, 0.00314034/step, 1.99848 hours remaining, 235.937500 MB of memory in use. ENERGY: 2709000 3976.3944 20532.7804 14422.1551 253.5918 -203359.1561 2770.6819 0.0000 0.0000 52063.8413 -109339.7112 299.2116 -161403.5524 -108979.8047 299.0562 117.8893 146.1389 760900.0196 -2.1813 -2.0840 PRESSURE: 2709200 101.14 9.00636 -88.705 9.00634 71.6427 -18.1134 -88.7057 -18.1126 246.045 GPRESSURE: 2709200 134.208 94.782 -13.385 25.613 46.7256 74.1866 -40.8324 -37.9426 323.806 PRESSAVG: 2709200 -74.5276 5.6932 -18.8108 5.69313 53.0687 20.3906 -18.8108 20.3906 2.94927 GPRESSAVG: 2709200 -74.5304 7.7211 -20.2344 4.34818 52.774 20.8518 -17.8048 21.4394 3.8317 TIMING: 2709200 CPU: 8556.52, 0.00316359/step Wall: 8556.52, 0.00316359/step, 2.0131 hours remaining, 235.937500 MB of memory in use. ENERGY: 2709200 4001.5515 20388.1316 14470.0342 239.3034 -203562.4265 2902.7323 0.0000 0.0000 52097.8816 -109462.7919 299.4072 -161560.6735 -109100.4707 298.5766 139.6090 168.2463 761295.1178 -6.1699 -5.9749 PRESSURE: 2709400 -158.06 -301.726 193.592 -301.726 -444.917 6.33323 193.59 6.33223 -144.34 GPRESSURE: 2709400 -164.225 -304.779 155.279 -302.833 -309.95 17.3519 68.5435 67.4911 -177.682 PRESSAVG: 2709400 -17.1729 -6.50574 -3.68881 -6.50575 30.5743 -19.1989 -3.68877 -19.1988 10.9981 GPRESSAVG: 2709400 -17.3623 -7.60106 -3.47803 -5.68222 30.7576 -18.5168 -5.63772 -19.4876 10.5313 TIMING: 2709400 CPU: 8557.15, 0.00315524/step Wall: 8557.15, 0.00315524/step, 2.00761 hours remaining, 235.937500 MB of memory in use. ENERGY: 2709400 4018.7544 20397.9128 14427.4922 253.4114 -202967.3959 2369.9896 0.0000 0.0000 51850.3274 -109649.5082 297.9845 -161499.8356 -109281.2929 298.7356 -249.1057 -217.2858 762059.8116 8.1332 7.9755 PRESSURE: 2709600 102.852 -11.4189 -198.791 -11.4187 244.532 46.4353 -198.792 46.4369 -27.3558 GPRESSURE: 2709600 173.063 16.1319 -218.551 -90.8735 223.011 -48.789 -51.8159 -80.5924 6.8043 PRESSAVG: 2709600 -36.636 -4.87806 52.5682 -4.87803 37.5284 8.87668 52.5682 8.87669 -16.1769 GPRESSAVG: 2709600 -36.0599 -5.56986 51.6534 -5.04201 36.4012 7.01152 54.0833 9.60209 -15.8617 TIMING: 2709600 CPU: 8557.79, 0.00315459/step Wall: 8557.79, 0.00315459/step, 2.00702 hours remaining, 235.937500 MB of memory in use. ENERGY: 2709600 3963.5239 20605.4869 14486.1692 249.8279 -203305.9646 2547.1553 0.0000 0.0000 51866.3311 -109587.4703 298.0765 -161453.8013 -109241.0099 298.1439 106.6759 134.2928 760646.9795 -5.0948 -5.1735 PRESSURE: 2709800 -13.8706 95.16 15.2184 95.1594 378.878 175.054 15.2187 175.054 153.623 GPRESSURE: 2709800 -30.989 21.9437 -28.492 73.7364 496.38 192.642 115.252 208.356 131.091 PRESSAVG: 2709800 -30.4381 12.1052 39.591 12.1052 39.4726 44.5493 39.591 44.5493 17.6601 GPRESSAVG: 2709800 -31.8773 11.1335 39.4005 11.4875 39.8612 44.9929 39.0221 43.412 18.2484 TIMING: 2709800 CPU: 8558.42, 0.00316471/step Wall: 8558.42, 0.00316471/step, 2.01328 hours remaining, 235.937500 MB of memory in use. ENERGY: 2709800 3974.3186 20594.0603 14426.7447 242.2037 -203816.7988 2932.4621 0.0000 0.0000 51941.4133 -109705.5960 298.5080 -161647.0094 -109352.0890 298.5916 172.8768 198.8273 762734.9124 8.8982 8.7441 PRESSURE: 2710000 -89.1386 -193.652 -127.106 -193.652 -178.269 -35.7585 -127.106 -35.7587 120.783 GPRESSURE: 2710000 27.3444 -258.822 -28.4701 -116.223 -210.131 33.3819 12.5293 -52.1948 90.3518 PRESSAVG: 2710000 -72.3431 -25.3196 74.3735 -25.3196 36.7378 22.6573 74.3735 22.6572 -22.7164 GPRESSAVG: 2710000 -72.4143 -24.2637 75.1849 -25.8025 37.4243 22.6486 72.3625 24.45 -23.385 TIMING: 2710000 CPU: 8559.05, 0.00316202/step Wall: 8559.05, 0.00316202/step, 2.0114 hours remaining, 235.937500 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: 2710000 3950.7391 20588.2654 14457.6342 245.5987 -203218.4090 2639.3462 0.0000 0.0000 51850.8293 -109485.9961 297.9874 -161336.8254 -109133.6375 298.4305 -48.8751 -30.8116 764117.6388 -19.4406 -19.4583 PRESSURE: 2710200 -126.248 -58.4979 186.072 -58.4975 19.9035 -24.6037 186.074 -24.6038 -147.464 GPRESSURE: 2710200 -164.725 -100.795 86.0185 -122.412 86.99 -15.2895 206.853 -50.1172 -99.4635 PRESSAVG: 2710200 9.7664 -13.9629 30.6268 -13.9629 59.0593 -65.128 30.6268 -65.1279 7.16841 GPRESSAVG: 2710200 10.6386 -13.0227 29.716 -15.8637 58.3284 -64.306 33.7191 -66.5114 7.12214 TIMING: 2710200 CPU: 8559.68, 0.00316139/step Wall: 8559.68, 0.00316139/step, 2.01082 hours remaining, 235.937500 MB of memory in use. ENERGY: 2710200 3971.7311 20505.9510 14480.8525 240.4941 -203333.4727 2716.4688 0.0000 0.0000 51934.3034 -109483.6718 298.4672 -161417.9752 -109116.6349 298.9247 -84.6029 -59.0661 763409.0528 25.3314 25.3630 PRESSURE: 2710400 351.821 -51.7142 -259.251 -51.7143 163.582 59.8459 -259.251 59.8458 200.61 GPRESSURE: 2710400 421.683 -64.7686 -238.327 88.6579 157.734 -34.1178 -189.136 17.2706 200.325 PRESSAVG: 2710400 16.9327 -31.5356 22.2448 -31.5356 40.6377 2.60474 22.2448 2.60475 -17.6866 GPRESSAVG: 2710400 15.9105 -33.7382 22.4318 -28.0256 41.6629 1.85416 22.232 2.09741 -17.9104 TIMING: 2710400 CPU: 8560.31, 0.00315236/step Wall: 8560.31, 0.00315236/step, 2.0049 hours remaining, 235.937500 MB of memory in use. ENERGY: 2710400 3997.7239 20480.8109 14483.7833 247.3919 -203443.3942 2922.8742 0.0000 0.0000 51908.5334 -109402.2766 298.3191 -161310.8100 -109041.2898 298.4632 238.6709 259.9139 763179.2444 13.2946 13.2210 PRESSURE: 2710600 81.3564 68.3647 326.756 68.3652 -118.142 -1.95046 326.755 -1.9494 -361.496 GPRESSURE: 2710600 114.828 113.46 330.307 -31.7128 -49.5268 -71.6367 283.696 107.277 -382.169 PRESSAVG: 2710600 31.884 -32.6514 8.28201 -32.6514 -2.9987 28.1107 8.28198 28.1107 3.17782 GPRESSAVG: 2710600 32.2498 -30.2849 8.85399 -33.0543 -3.34794 28.5275 7.08319 29.2501 2.71617 TIMING: 2710600 CPU: 8560.94, 0.00315245/step Wall: 8560.94, 0.00315245/step, 2.00478 hours remaining, 235.937500 MB of memory in use. ENERGY: 2710600 4011.8875 20455.3183 14477.5177 248.9763 -203285.8364 2684.5229 0.0000 0.0000 52026.5322 -109381.0814 298.9972 -161407.6136 -109012.1303 298.9507 -132.7605 -105.6227 762046.9174 10.6877 10.5393 PRESSURE: 2710800 -325.687 -121.367 -268.814 -121.369 -122.849 71.4901 -268.815 71.4899 359.058 GPRESSURE: 2710800 -323.713 -206.48 -311.43 11.0706 -128.215 -6.89859 -279.711 26.1118 448.068 PRESSAVG: 2710800 3.45704 -8.81652 -7.64067 -8.81658 -37.0113 37.7106 -7.64068 37.7106 17.6374 GPRESSAVG: 2710800 3.72333 -8.6802 -9.17913 -9.14234 -39.5155 36.979 -5.61294 40.7461 19.2136 TIMING: 2710800 CPU: 8561.57, 0.00315058/step Wall: 8561.57, 0.00315058/step, 2.00342 hours remaining, 235.937500 MB of memory in use. ENERGY: 2710800 3955.7477 20531.2667 14483.2631 274.4126 -202869.8076 2295.8955 0.0000 0.0000 51954.3956 -109374.8265 298.5826 -161329.2220 -109017.7962 299.0164 -29.8259 -1.2865 762296.8077 -5.3056 -5.5262 PRESSURE: 2711000 -146.218 -28.493 -15.6234 -28.4931 133.389 252.254 -15.6233 252.254 -21.5396 GPRESSURE: 2711000 -124.788 -85.2932 -24.4435 -79.7166 225.318 146.034 8.68519 249.087 -35.5587 PRESSAVG: 2711000 -1.25518 -43.2688 -25.1563 -43.2687 -4.02682 37.9777 -25.1563 37.9778 1.27574 GPRESSAVG: 2711000 -1.48147 -45.2212 -23.8719 -44.4016 -2.5922 38.2722 -28.4491 37.0605 -0.00800506 TIMING: 2711000 CPU: 8562.21, 0.00315307/step Wall: 8562.21, 0.00315307/step, 2.00483 hours remaining, 235.937500 MB of memory in use. ENERGY: 2711000 4006.9248 20495.2480 14559.3618 247.9461 -203089.9874 2402.3352 0.0000 0.0000 52136.5527 -109241.6188 299.6295 -161378.1715 -108879.1251 298.9928 -11.4563 21.6570 761980.2126 -1.3354 -1.3606 PRESSURE: 2711200 165.972 -74.3111 -205.11 -74.311 70.2333 -250.415 -205.109 -250.416 -237.607 GPRESSURE: 2711200 98.7408 -45.3542 -175.425 -89.0649 171.756 -220.338 -259.25 -112.923 -199.064 PRESSAVG: 2711200 55.8621 -6.41464 11.4588 -6.41464 22.4546 35.8543 11.4588 35.8543 -4.20119 GPRESSAVG: 2711200 56.6087 -4.92307 11.4602 -4.90528 22.6754 37.0361 9.87109 33.2933 -4.66193 TIMING: 2711200 CPU: 8562.83, 0.00313372/step Wall: 8562.83, 0.00313372/step, 1.99235 hours remaining, 235.937500 MB of memory in use. ENERGY: 2711200 4002.4973 20542.1569 14580.6373 241.1005 -203368.3961 2477.5200 0.0000 0.0000 52082.0007 -109442.4834 299.3160 -161524.4841 -109088.2042 299.3642 -0.4675 23.8111 760645.2968 24.7052 24.8741 PRESSURE: 2711400 -195.118 62.3005 -118.164 62.3002 219.457 85.5007 -118.164 85.499 76.6994 GPRESSURE: 2711400 -184.787 17.3446 -108.975 78.0727 218.033 9.24187 -87.8213 120.946 154.281 PRESSAVG: 2711400 13.2097 9.73412 -29.4725 9.73413 -20.9546 54.9647 -29.4725 54.9647 7.88346 GPRESSAVG: 2711400 12.8627 8.69456 -29.9563 9.73454 -21.5572 53.052 -28.1777 56.9636 8.55202 TIMING: 2711400 CPU: 8563.46, 0.00313692/step Wall: 8563.46, 0.00313692/step, 1.99421 hours remaining, 235.937500 MB of memory in use. ENERGY: 2711400 3979.4667 20684.1272 14564.4653 247.0152 -203027.6502 2507.2208 0.0000 0.0000 51879.0855 -109166.2696 298.1498 -161045.3551 -108825.2330 298.9140 33.6794 62.5091 762214.8488 0.0462 -0.0475 PRESSURE: 2711600 183.476 -113.809 -245.056 -113.809 -152.201 307.954 -245.055 307.955 -53.4218 GPRESSURE: 2711600 257.867 12.5233 -173.332 -220.612 -63.8222 238.322 -167.219 301.131 -139.376 PRESSAVG: 2711600 -57.4564 2.30111 19.9216 2.30112 31.8593 29.3098 19.9216 29.3098 7.9311 GPRESSAVG: 2711600 -58.0734 1.25405 21.3987 2.09455 33.4604 29.5465 19.4925 27.7092 7.78494 TIMING: 2711600 CPU: 8564.09, 0.00313979/step Wall: 8564.09, 0.00313979/step, 1.99586 hours remaining, 235.937500 MB of memory in use. ENERGY: 2711600 3964.6048 20459.6551 14509.3586 231.0300 -202821.2613 2251.7326 0.0000 0.0000 52261.4931 -109143.3871 300.3475 -161404.8802 -108777.0306 299.5233 -7.3822 18.2231 762352.2022 -5.8887 -5.6093 PRESSURE: 2711800 25.791 -109.158 76.1624 -109.158 -132.6 -126.33 76.1617 -126.331 -124.811 GPRESSURE: 2711800 86.5419 -177.711 98.853 -26.4878 -91.9545 -127.066 30.299 47.861 -137.581 PRESSAVG: 2711800 -12.9034 -43.6482 40.7699 -43.6482 -16.9219 35.5148 40.77 35.5149 -4.07163 GPRESSAVG: 2711800 -12.5665 -41.0906 39.9803 -45.7235 -16.7105 35.6769 40.8798 36.3614 -4.77587 TIMING: 2711800 CPU: 8564.72, 0.00315512/step Wall: 8564.72, 0.00315512/step, 2.00543 hours remaining, 235.937500 MB of memory in use. ENERGY: 2711800 4056.2361 20518.0179 14578.4118 241.5543 -203405.7411 2767.4148 0.0000 0.0000 52047.0663 -109197.0399 299.1152 -161244.1062 -108840.9507 299.4428 -77.2067 -47.6644 762310.4936 -11.2990 -11.3510 PRESSURE: 2712000 -16.7153 66.8121 -97.9499 66.8119 -121.268 -111.523 -97.9501 -111.522 -88.2433 GPRESSURE: 2712000 83.0647 17.0041 -153.658 153.14 -84.593 -155.852 -163.815 -151.871 -156.142 PRESSAVG: 2712000 27.0016 -40.4242 -13.5976 -40.4242 -37.2371 12.9862 -13.5976 12.9863 -14.2693 GPRESSAVG: 2712000 27.1902 -42.6161 -12.2873 -38.2279 -37.4323 13.6305 -12.85 11.6075 -13.5424 TIMING: 2712000 CPU: 8565.35, 0.00314372/step Wall: 8565.35, 0.00314372/step, 1.99801 hours remaining, 235.937500 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: 2712000 3997.4179 20578.5619 14500.1105 249.2683 -203133.4578 2326.5855 0.0000 0.0000 52222.9197 -109258.5940 300.1258 -161481.5138 -108891.8404 299.0799 -75.4087 -52.5569 761573.7014 -8.1682 -7.9282 PRESSURE: 2712200 -25.7721 -47.5754 120.924 -47.5749 -56.0637 -117.392 120.924 -117.392 269.857 GPRESSURE: 2712200 40.4964 -79.3372 93.9157 -51.2165 40.1939 -206.249 63.6786 -72.0542 191.354 PRESSAVG: 2712200 16.5224 -42.0158 3.84165 -42.0157 -1.00171 14.5836 3.84169 14.5836 21.7026 GPRESSAVG: 2712200 17.5527 -41.153 2.36239 -41.4252 -1.59013 14.3002 3.50941 14.3453 21.5363 TIMING: 2712200 CPU: 8565.97, 0.00313938/step Wall: 8565.97, 0.00313938/step, 1.99508 hours remaining, 235.937500 MB of memory in use. ENERGY: 2712200 3944.2899 20540.8898 14431.8079 237.0852 -203246.8568 2746.3166 0.0000 0.0000 52336.2689 -109010.1985 300.7773 -161346.4674 -108654.1997 299.1583 62.6739 90.6813 761413.4881 12.4078 12.4996 LDB: ============= START OF LOAD BALANCING ============== 8578.51 LDB: ============== END OF LOAD BALANCING =============== 8578.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8578.51 LDB: ============= START OF LOAD BALANCING ============== 8578.82 LDB: Largest compute 7057 load 0.031710 is 16.2% of average load 0.195563 LDB: Average compute 0.004392 is 2.2% of average load 0.195563 LDB: TIME 8578.83 LOAD: AVG 0.195563 MAX 0.212374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.609 MB LDB: TIME 8578.83 LOAD: AVG 0.195563 MAX 0.212374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.609 MB LDB: TIME 8578.83 LOAD: AVG 0.195563 MAX 0.212374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.609 MB LDB: ============== END OF LOAD BALANCING =============== 8578.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8578.83 PRESSURE: 2712400 -22.4333 86.8308 -72.7562 86.8304 227.261 -121.18 -72.7556 -121.179 260.67 GPRESSURE: 2712400 63.6032 -30.7192 -45.37 -57.5862 286.19 -102.237 -59.4225 -45.5222 214.13 PRESSAVG: 2712400 2.2641 -48.8656 18.6511 -48.8656 3.06424 2.53417 18.6512 2.53416 2.01255 GPRESSAVG: 2712400 2.83749 -50.4059 18.3206 -49.6879 2.98236 3.8953 18.5695 2.42945 1.19747 TIMING: 2712400 CPU: 8566.62, 0.00321408/step Wall: 8566.62, 0.00321408/step, 2.04237 hours remaining, 234.160156 MB of memory in use. ENERGY: 2712400 3916.9638 20617.1801 14412.0046 254.7130 -203023.6826 2820.4542 0.0000 0.0000 52100.5068 -108901.8600 299.4223 -161002.3669 -108541.1786 299.3427 155.1660 187.9744 761867.4331 2.4470 2.3391 PRESSURE: 2712600 -386.637 -83.4204 133.541 -83.421 -273.287 -0.817585 133.541 -0.818076 72.6688 GPRESSURE: 2712600 -366.636 -23.2254 142.479 -50.8846 -186.971 75.1319 136.362 -80.5251 43.6911 PRESSAVG: 2712600 -25.8951 -45.6594 29.7004 -45.6594 19.0854 -22.3662 29.7004 -22.3663 -20.8442 GPRESSAVG: 2712600 -27.7214 -43.2021 31.6633 -46.6497 19.3567 -20.8661 28.9037 -21.8172 -19.3022 TIMING: 2712600 CPU: 8567.24, 0.00313019/step Wall: 8567.24, 0.00313019/step, 1.98889 hours remaining, 234.160156 MB of memory in use. ENERGY: 2712600 4011.3925 20402.2867 14529.1427 243.0136 -202614.5294 2382.7795 0.0000 0.0000 52094.9660 -108950.9485 299.3905 -161045.9144 -108583.8255 299.8623 -195.7518 -169.9719 761368.8835 -9.2180 -9.2223 PRESSURE: 2712800 -129.268 -139.379 -61.0345 -139.38 329.601 -60.7079 -61.0343 -60.7082 -211.759 GPRESSURE: 2712800 -43.5109 -154.243 16.2907 -122.713 274.369 -1.96606 -114.187 44.7707 -161.78 PRESSAVG: 2712800 -47.0141 -36.5344 15.35 -36.5344 36.5873 1.29099 15.35 1.29087 13.3888 GPRESSAVG: 2712800 -45.9204 -38.1065 13.7524 -36.51 37.4045 -0.639131 15.5919 2.35756 11.5468 TIMING: 2712800 CPU: 8567.87, 0.00313478/step Wall: 8567.87, 0.00313478/step, 1.99163 hours remaining, 234.160156 MB of memory in use. ENERGY: 2712800 3960.0398 20503.1584 14378.4714 240.2825 -203274.2902 2658.5253 0.0000 0.0000 52302.8303 -109230.9826 300.5851 -161533.8128 -108872.7365 298.5297 -3.8087 23.0262 760633.6028 0.9873 1.0103 PRESSURE: 2713000 -357.123 -87.5486 -12.751 -87.5502 -58.0408 118.507 -12.751 118.508 -230.934 GPRESSURE: 2713000 -282.065 -44.6278 -10.2857 -142.884 -98.7839 64.7905 110.059 -7.10174 -206.925 PRESSAVG: 2713000 -57.2702 -21.5784 -1.99767 -21.5785 63.8244 -11.4394 -1.99765 -11.4395 -0.820405 GPRESSAVG: 2713000 -57.6047 -21.2654 -3.03037 -20.6885 62.3047 -9.07011 -1.73789 -14.4534 0.516877 TIMING: 2713000 CPU: 8568.5, 0.00313613/step Wall: 8568.5, 0.00313613/step, 1.99231 hours remaining, 234.160156 MB of memory in use. ENERGY: 2713000 4008.3555 20581.3920 14461.8612 246.6934 -203027.7278 2346.3051 0.0000 0.0000 52178.1432 -109204.9775 299.8685 -161383.1207 -108843.4560 299.5517 -215.3659 -195.9248 762997.5045 1.9113 1.7390 PRESSURE: 2713200 -110.933 25.2577 144.192 25.2583 -93.8469 -71.1851 144.192 -71.186 167.823 GPRESSURE: 2713200 -99.0075 23.6063 185.704 97.352 1.51639 50.6466 155.034 -90.4188 141.221 PRESSAVG: 2713200 23.6462 15.7295 21.4585 15.7295 -3.63938 -51.1388 21.4585 -51.1388 12.1235 GPRESSAVG: 2713200 23.4591 14.3975 21.2892 16.336 -3.22995 -52.289 23.6769 -49.506 11.4014 TIMING: 2713200 CPU: 8569.13, 0.0031411/step Wall: 8569.13, 0.0031411/step, 1.99529 hours remaining, 234.160156 MB of memory in use. ENERGY: 2713200 3923.5384 20351.6260 14521.1823 228.6271 -203131.2254 2413.4115 0.0000 0.0000 52404.8835 -109287.9565 301.1716 -161692.8400 -108917.4449 299.4282 -12.3189 14.5767 763335.5077 10.7101 10.5435 PRESSURE: 2713400 96.4358 -55.4631 140.151 -55.4638 56.0625 157.811 140.152 157.811 117.767 GPRESSURE: 2713400 130.548 -120.299 322.308 -44.4105 61.8401 91.537 30.4305 208.331 167.089 PRESSAVG: 2713400 1.38356 -26.4749 50.9872 -26.4748 -3.74346 24.1286 50.9873 24.1287 -8.24079 GPRESSAVG: 2713400 0.843825 -25.3716 52.3955 -27.6036 -4.95961 22.7279 49.9256 23.5305 -7.11004 TIMING: 2713400 CPU: 8569.75, 0.00314298/step Wall: 8569.75, 0.00314298/step, 1.99632 hours remaining, 234.160156 MB of memory in use. ENERGY: 2713400 3986.7434 20496.1902 14556.9039 239.0113 -203591.9616 2980.3772 0.0000 0.0000 52129.2436 -109203.4921 299.5875 -161332.7357 -108832.3501 299.5022 90.0886 119.8258 762059.6109 -3.5336 -3.7419 PRESSURE: 2713600 -124.168 151.781 93.3051 151.781 -195.27 -128.552 93.3056 -128.554 -70.0263 GPRESSURE: 2713600 -107.967 143.659 193.357 46.3137 -134.899 -135.985 2.90282 -84.7217 -60.4964 PRESSAVG: 2713600 23.352 -11.3627 54.7756 -11.3627 -31.8639 -1.21154 54.7756 -1.21152 19.7169 GPRESSAVG: 2713600 22.9963 -10.6613 54.1279 -12.7287 -31.1646 -1.7601 55.1813 0.312711 19.0667 TIMING: 2713600 CPU: 8570.38, 0.00313591/step Wall: 8570.38, 0.00313591/step, 1.99165 hours remaining, 234.160156 MB of memory in use. ENERGY: 2713600 4082.6480 20617.4633 14436.8135 232.9101 -203010.2037 2543.6985 0.0000 0.0000 51987.8292 -109108.8411 298.7748 -161096.6704 -108756.8930 299.4306 -129.8212 -101.1208 761680.2820 3.7350 3.6328 PRESSURE: 2713800 39.5787 -112.588 45.4576 -112.59 61.4749 -27.5241 45.458 -27.5226 88.9317 GPRESSURE: 2713800 12.599 -109.564 32.9003 -16.5981 128.975 -50.3599 -130.58 -45.8883 142.634 PRESSAVG: 2713800 4.26061 34.3817 18.636 34.3816 7.10295 -24.1568 18.636 -24.1568 38.8031 GPRESSAVG: 2713800 4.43038 33.9661 18.945 36.6226 7.43457 -22.5279 16.9034 -24.4391 38.4105 TIMING: 2713800 CPU: 8571.01, 0.00314869/step Wall: 8571.01, 0.0031487/step, 1.9996 hours remaining, 234.160156 MB of memory in use. ENERGY: 2713800 4022.5328 20542.6977 14488.7998 247.2171 -203063.7830 2480.0033 0.0000 0.0000 52174.7303 -109107.8019 299.8489 -161282.5322 -108745.8990 299.2615 63.3284 94.7360 761297.5492 16.7222 16.7585 PRESSURE: 2714000 -26.4808 137.8 340.066 137.8 -11.1268 13.8065 340.066 13.8059 -311.797 GPRESSURE: 2714000 -48.0652 201.144 270.591 60.0409 97.9175 -65.0807 346.584 55.9714 -301.002 PRESSAVG: 2714000 28.6016 20.6239 -46.3188 20.6239 28.413 9.06076 -46.3188 9.06081 -9.77383 GPRESSAVG: 2714000 27.4686 19.4417 -47.2038 20.186 29.1461 8.70322 -45.8189 8.12994 -9.09452 TIMING: 2714000 CPU: 8571.64, 0.00313347/step Wall: 8571.64, 0.00313347/step, 1.98975 hours remaining, 234.160156 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: 2714000 4019.5159 20630.1149 14418.1356 241.3442 -203177.1935 2564.3430 0.0000 0.0000 52089.9664 -109213.7734 299.3618 -161303.7398 -108845.7944 299.6796 -116.4683 -83.7166 762080.1610 15.7469 15.8401 PRESSURE: 2714200 -184.721 -6.39118 234.169 -6.3912 -9.84551 20.6058 234.169 20.6066 429.599 GPRESSURE: 2714200 -37.5635 31.2711 273.099 -3.96434 -64.7275 13.9846 184.885 21.183 425.203 PRESSAVG: 2714200 4.72192 -33.5855 35.4579 -33.5855 12.1861 -37.3517 35.4578 -37.3517 -1.92677 GPRESSAVG: 2714200 6.47925 -35.1518 33.3856 -32.305 12.0108 -37.5249 36.6982 -35.7794 -2.94778 TIMING: 2714200 CPU: 8572.27, 0.00314122/step Wall: 8572.27, 0.00314122/step, 1.9945 hours remaining, 234.160156 MB of memory in use. ENERGY: 2714200 4011.4511 20491.4424 14482.2231 248.2065 -202963.0193 2512.4976 0.0000 0.0000 52050.4642 -109166.7344 299.1347 -161217.1986 -108814.1822 299.4182 78.3441 107.6375 762793.5465 4.9937 5.1807 PRESSURE: 2714400 164.841 86.4752 -79.3169 86.4753 -173.932 -158.282 -79.3166 -158.283 231.806 GPRESSURE: 2714400 163.54 133.743 -7.32526 57.214 -116.247 -245.79 -139.112 -101.156 247.717 PRESSAVG: 2714400 -30.4763 9.86662 56.2498 9.86667 14.3218 30.1643 56.2498 30.1643 -0.412979 GPRESSAVG: 2714400 -31.7967 12.1249 58.0232 9.25037 15.054 31.7935 56.2173 27.5144 0.169225 TIMING: 2714400 CPU: 8572.9, 0.00314274/step Wall: 8572.9, 0.00314274/step, 1.99529 hours remaining, 234.160156 MB of memory in use. ENERGY: 2714400 3911.1534 20713.4661 14495.2913 264.9215 -203182.9729 2717.2467 0.0000 0.0000 52004.7504 -109076.1434 298.8720 -161080.8938 -108726.1616 299.9928 74.2383 98.3370 760978.5929 -5.5225 -5.5245 PRESSURE: 2714600 -10.4719 -246.186 -182.921 -246.185 -93.0767 -107.37 -182.921 -107.37 151.59 GPRESSURE: 2714600 71.6397 -142.431 -46.0101 -209.949 -89.7338 -94.5232 -191.231 -33.4053 151.782 PRESSAVG: 2714600 -10.5345 15.7701 10.1884 15.7701 1.56863 -11.6869 10.1885 -11.6869 2.81263 GPRESSAVG: 2714600 -10.6708 15.3743 10.657 15.5866 0.933988 -14.3225 7.55983 -8.55323 3.98187 TIMING: 2714600 CPU: 8573.53, 0.00315424/step Wall: 8573.53, 0.00315424/step, 2.00242 hours remaining, 234.160156 MB of memory in use. ENERGY: 2714600 3925.7099 20527.2013 14491.1763 249.8211 -202857.8534 2436.2476 0.0000 0.0000 51928.1619 -109299.5352 298.4319 -161227.6971 -108928.2506 299.7592 16.0137 44.5625 763086.1266 -2.0511 -1.9183 PRESSURE: 2714800 -204.481 -111.583 -62.9036 -111.583 53.2205 -86.8283 -62.9036 -86.8277 408.285 GPRESSURE: 2714800 -104.961 -61.7898 58.9198 -99.3197 79.4033 -148.175 -190.538 -17.4131 352.526 PRESSAVG: 2714800 -46.8292 -21.4643 -5.16058 -21.4644 70.781 6.84971 -5.16062 6.84969 8.99853 GPRESSAVG: 2714800 -45.8047 -21.145 -3.8656 -22.1074 70.8266 6.69438 -3.89699 4.49613 7.76897 TIMING: 2714800 CPU: 8574.15, 0.00313516/step Wall: 8574.15, 0.00313516/step, 1.99013 hours remaining, 234.160156 MB of memory in use. ENERGY: 2714800 3964.6767 20388.9712 14499.9700 251.6647 -203358.2998 2812.4672 0.0000 0.0000 52067.6417 -109372.9083 299.2335 -161440.5500 -109000.8696 299.4706 85.6746 108.9893 761910.9723 10.9834 10.9303 PRESSURE: 2715000 173.076 24.9051 -100.694 24.9048 306.028 51.0042 -100.694 51.0049 34.0774 GPRESSURE: 2715000 173.1 -137.827 -76.1075 145.327 383.82 31.2593 -83.5375 21.86 42.3987 PRESSAVG: 2715000 -20.1634 6.08419 0.736561 6.08426 29.9045 2.23315 0.736605 2.23318 6.12929 GPRESSAVG: 2715000 -20.6958 3.99938 -0.910414 7.64391 28.9803 3.52907 1.76046 2.33448 7.39866 TIMING: 2715000 CPU: 8574.78, 0.00313106/step Wall: 8574.78, 0.00313106/step, 1.98735 hours remaining, 234.160156 MB of memory in use. ENERGY: 2715000 3910.3613 20554.1178 14443.2192 237.5663 -203714.7376 2870.1795 0.0000 0.0000 52075.4584 -109623.8350 299.2784 -161699.2934 -109263.4780 299.0628 171.0605 199.7728 761476.1345 5.2901 5.2277 PRESSURE: 2715200 -280.607 -71.4359 -121.461 -71.4357 -112.66 -43.3698 -121.461 -43.3698 195.073 GPRESSURE: 2715200 -185.804 -18.9872 -175.32 50.2031 -151.626 26.9114 -108.346 3.73523 207.312 PRESSAVG: 2715200 -20.4715 30.0017 77.7615 30.0016 10.9258 32.3786 77.7614 32.3787 2.00564 GPRESSAVG: 2715200 -19.1063 31.8444 78.193 29.4246 11.7325 31.2657 75.9093 34.1533 0.383511 TIMING: 2715200 CPU: 8575.41, 0.00314502/step Wall: 8575.41, 0.00314502/step, 1.99604 hours remaining, 234.160156 MB of memory in use. ENERGY: 2715200 3890.3494 20417.0219 14458.3898 259.1218 -203520.2473 2673.4883 0.0000 0.0000 52170.9658 -109650.9104 299.8273 -161821.8761 -109281.5442 298.4106 -66.0646 -43.3729 763540.2297 -2.5133 -2.3301 PRESSURE: 2715400 -358.597 -146.489 -59.2531 -146.489 -215.44 -230.849 -59.2535 -230.849 -316.236 GPRESSURE: 2715400 -317.327 -60.5628 -97.2956 -137.219 -160.321 -142.23 20.4964 -98.4842 -325.06 PRESSAVG: 2715400 -22.9687 -38.685 30.9852 -38.6849 25.3061 -4.55389 30.9852 -4.55394 -20.0887 GPRESSAVG: 2715400 -23.2913 -37.1802 31.0976 -39.6965 25.7693 -3.40753 32.4447 -5.63549 -19.7631 TIMING: 2715400 CPU: 8576.04, 0.00315551/step Wall: 8576.04, 0.00315551/step, 2.00252 hours remaining, 234.160156 MB of memory in use. ENERGY: 2715400 3998.6644 20527.1081 14397.3377 234.3639 -203264.9420 2454.3883 0.0000 0.0000 52027.5664 -109625.5132 299.0031 -161653.0796 -109269.6738 298.6569 -296.7577 -267.5694 763288.7997 -5.9171 -5.7617 PRESSURE: 2715600 -157.861 225.039 52.1253 225.039 -457.562 -136.47 52.1249 -136.469 -96.4702 GPRESSURE: 2715600 -185.535 197.527 14.7364 156.278 -368.375 -57.3049 70.3016 -23.8504 -67.3972 PRESSAVG: 2715600 -76.3659 13.5922 -11.6365 13.5923 42.3173 1.04691 -11.6365 1.04692 -5.06583 GPRESSAVG: 2715600 -76.8987 10.3946 -12.1205 15.5505 42.2093 0.0364493 -13.1179 2.75033 -4.40248 TIMING: 2715600 CPU: 8576.67, 0.00316472/step Wall: 8576.67, 0.00316472/step, 2.00819 hours remaining, 234.160156 MB of memory in use. ENERGY: 2715600 3949.8772 20360.0180 14475.2759 267.1168 -202954.0939 2392.4555 0.0000 0.0000 51848.3819 -109660.9684 297.9734 -161509.3503 -109306.2162 298.4574 -237.2978 -207.1022 764482.3700 -13.0382 -13.0306 PRESSURE: 2715800 -503.261 -75.0755 37.4711 -75.0757 -23.4368 165.05 37.4711 165.05 -38.4847 GPRESSURE: 2715800 -407.914 -193.056 71.627 -25.4763 -20.9831 127.7 46.0284 -0.330784 -62.8022 PRESSAVG: 2715800 -1.44006 -17.4582 -6.67205 -17.4582 36.1496 1.11478 -6.67206 1.11481 -7.94128 GPRESSAVG: 2715800 -0.758945 -16.2343 -7.27595 -18.6793 36.1144 1.94043 -6.21954 0.62542 -8.15808 TIMING: 2715800 CPU: 8577.31, 0.00317188/step Wall: 8577.31, 0.00317188/step, 2.01256 hours remaining, 234.160156 MB of memory in use. ENERGY: 2715800 3991.1734 20469.9347 14395.2318 259.6785 -202924.0848 2369.7105 0.0000 0.0000 51899.0996 -109539.2562 298.2648 -161438.3558 -109184.4203 298.0120 -188.3943 -163.8997 763532.9846 8.9228 9.0658 PRESSURE: 2716000 -133.943 -17.9663 157.129 -17.9668 92.9995 37.896 157.13 37.8967 -17.0251 GPRESSURE: 2716000 -67.3572 -32.3136 98.7937 -68.7668 103.697 -9.53996 215.785 48.6812 -8.45445 PRESSAVG: 2716000 -14.0887 9.78508 26.8148 9.78506 20.0508 -55.7368 26.8148 -55.7367 19.0838 GPRESSAVG: 2716000 -14.7659 7.77023 27.3412 8.38116 20.3985 -58.2759 27.6982 -53.9758 19.1933 TIMING: 2716000 CPU: 8577.94, 0.00315683/step Wall: 8577.94, 0.00315683/step, 2.00283 hours remaining, 234.160156 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: 2716000 4009.3025 20417.7895 14498.6995 244.1219 -203456.3242 2623.3006 0.0000 0.0000 52051.7438 -109611.3665 299.1421 -161663.1103 -109253.9654 298.6370 -19.3229 9.2953 761212.1641 8.3486 8.2753 PRESSURE: 2716200 574.619 -78.3811 -163.534 -78.3808 -142.434 -184.748 -163.535 -184.747 26.3762 GPRESSURE: 2716200 522.555 -8.90456 -210.261 -45.1156 -119.238 -192.681 -144.183 -71.881 112.714 PRESSAVG: 2716200 -11.8712 -9.74544 9.62794 -9.74543 29.5588 -26.8262 9.62792 -26.8262 -10.7758 GPRESSAVG: 2716200 -10.3489 -7.52777 9.10067 -8.59479 28.4196 -25.1699 7.50703 -26.7937 -10.4317 TIMING: 2716200 CPU: 8578.57, 0.00315048/step Wall: 8578.57, 0.00315048/step, 1.99863 hours remaining, 234.160156 MB of memory in use. ENERGY: 2716200 4002.3850 20523.9189 14526.7721 239.0520 -203304.7914 2709.8852 0.0000 0.0000 51750.8044 -109551.9739 297.4126 -161302.7783 -109195.8971 298.4998 152.8538 172.0105 762426.8095 2.3040 2.5463 LDB: ============= START OF LOAD BALANCING ============== 8591.1 LDB: ============== END OF LOAD BALANCING =============== 8591.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8591.1 LDB: ============= START OF LOAD BALANCING ============== 8591.42 LDB: Largest compute 7026 load 0.033291 is 17.0% of average load 0.195648 LDB: Average compute 0.004387 is 2.2% of average load 0.195648 LDB: TIME 8591.42 LOAD: AVG 0.195648 MAX 0.215147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.387 MB LDB: TIME 8591.42 LOAD: AVG 0.195648 MAX 0.215147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.59 MB LDB: TIME 8591.42 LOAD: AVG 0.195648 MAX 0.215147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.59 MB LDB: ============== END OF LOAD BALANCING =============== 8591.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8591.43 PRESSURE: 2716400 -278.694 -203.243 -4.0932 -203.243 -10.1432 -68.2901 -4.09248 -68.2895 -174.872 GPRESSURE: 2716400 -134.584 -177.29 35.571 -136.475 15.2975 -46.7534 50.1176 -122.678 -280.335 PRESSAVG: 2716400 -27.2261 -31.3815 -19.9111 -31.3815 2.00491 -28.8627 -19.9111 -28.8627 13.0269 GPRESSAVG: 2716400 -27.6673 -30.8303 -21.6993 -31.7108 2.63586 -28.0552 -17.7279 -30.3959 13.3424 TIMING: 2716400 CPU: 8579.21, 0.00321112/step Wall: 8579.21, 0.00321112/step, 2.03692 hours remaining, 235.644531 MB of memory in use. ENERGY: 2716400 3971.4300 20402.5513 14529.1469 249.8550 -203533.0309 2762.7434 0.0000 0.0000 52186.0170 -109431.2873 299.9138 -161617.3043 -109068.5179 298.4576 -154.5697 -133.2070 763104.3807 -4.0648 -3.8963 PRESSURE: 2716600 189.77 -19.3182 64.3089 -19.3185 -109.848 34.8008 64.3084 34.8009 226.851 GPRESSURE: 2716600 220.233 36.507 18.6897 -11.2784 -123.859 54.5042 42.4228 120.383 288.384 PRESSAVG: 2716600 -0.333058 -5.94129 38.4319 -5.94131 -28.1121 -9.63613 38.4319 -9.63604 -6.69698 GPRESSAVG: 2716600 -0.519994 -8.23387 40.6874 -5.85254 -26.7731 -10.7064 39.0232 -8.9109 -7.20569 TIMING: 2716600 CPU: 8579.84, 0.00315009/step Wall: 8579.84, 0.00315009/step, 1.99803 hours remaining, 235.957031 MB of memory in use. ENERGY: 2716600 3909.1700 20506.4392 14506.8501 259.0330 -203845.2537 2998.2156 0.0000 0.0000 52134.2051 -109531.3408 299.6160 -161665.5459 -109159.1269 299.0173 102.2575 128.2527 763390.3487 -11.7140 -11.4996 PRESSURE: 2716800 116.084 202.196 174.443 202.195 -110.524 -118.107 174.444 -118.106 -290.643 GPRESSURE: 2716800 228.215 305.853 194.314 122.563 -130.455 -60.8542 25.4633 -219.822 -300.259 PRESSAVG: 2716800 42.3313 14.2563 -10.0818 14.2564 -78.0465 14.2567 -10.0818 14.2567 -8.83117 GPRESSAVG: 2716800 43.4676 15.7249 -9.35318 13.4979 -78.1435 14.2413 -11.4862 15.8768 -9.82591 TIMING: 2716800 CPU: 8580.47, 0.00314798/step Wall: 8580.47, 0.00314798/step, 1.99652 hours remaining, 235.957031 MB of memory in use. ENERGY: 2716800 4027.3254 20599.6614 14446.4414 227.5074 -203239.8249 2620.8706 0.0000 0.0000 52017.5988 -109300.4199 298.9459 -161318.0187 -108938.4715 299.0515 -95.0277 -67.4994 763419.8987 -14.8488 -14.8339 PRESSURE: 2717000 -3.03561 80.8536 37.0977 80.8536 130.707 42.4758 37.0974 42.4761 -337.399 GPRESSURE: 2717000 54.0312 79.2148 -89.4378 218.361 146.513 58.005 62.4842 118.323 -320.546 PRESSAVG: 2717000 -4.35827 -39.3952 22.9286 -39.3953 -15.3168 32.4767 22.9285 32.4767 9.80093 GPRESSAVG: 2717000 -4.46667 -39.1871 20.9934 -37.7218 -16.0153 34.7492 23.4154 31.9708 10.6876 TIMING: 2717000 CPU: 8581.1, 0.00315604/step Wall: 8581.1, 0.00315604/step, 2.00145 hours remaining, 235.957031 MB of memory in use. ENERGY: 2717000 3986.7217 20452.2661 14480.8231 248.3990 -203269.8193 2741.8888 0.0000 0.0000 51917.2608 -109442.4599 298.3692 -161359.7207 -109067.6346 298.9566 -69.9092 -40.0005 763155.6090 -3.2914 -3.2648 PRESSURE: 2717200 -89.7087 -2.54667 -77.5347 -2.54717 -360.766 66.6495 -77.5351 66.6477 -319.897 GPRESSURE: 2717200 -120.96 -40.8503 -79.3844 31.7216 -339.074 63.4991 -74.297 -1.1681 -233.369 PRESSAVG: 2717200 18.5283 -7.86861 32.0912 -7.86869 -18.3451 -28.0656 32.0913 -28.0656 6.70423 GPRESSAVG: 2717200 17.0545 -8.90499 32.7486 -8.76708 -18.1046 -30.77 33.4094 -28.3668 7.39861 TIMING: 2717200 CPU: 8581.73, 0.00315144/step Wall: 8581.73, 0.00315144/step, 1.99836 hours remaining, 235.957031 MB of memory in use. ENERGY: 2717200 3926.5603 20478.3975 14498.3153 226.5019 -202917.2917 2350.7879 0.0000 0.0000 51805.0066 -109631.7222 297.7241 -161436.7288 -109271.1244 298.8442 -256.7907 -231.1343 762480.4014 2.2958 2.1162 PRESSURE: 2717400 -239.192 -9.6184 90.2315 -9.61854 -104.914 81.8189 90.2319 81.8189 294.112 GPRESSURE: 2717400 -224.164 25.1898 170.463 -52.8314 -72.1069 88.1608 -77.0446 62.6892 319.23 PRESSAVG: 2717400 -11.735 -20.5965 18.9186 -20.5965 -17.3235 13.9121 18.9187 13.912 7.5306 GPRESSAVG: 2717400 -11.44 -19.7489 18.5844 -20.4522 -16.6698 14.8622 17.5076 11.3518 6.61668 TIMING: 2717400 CPU: 8582.36, 0.00314017/step Wall: 8582.36, 0.00314017/step, 1.99104 hours remaining, 235.957031 MB of memory in use. ENERGY: 2717400 3918.6410 20531.1862 14445.7585 248.6443 -203283.5911 2380.8009 0.0000 0.0000 52132.6502 -109625.9100 299.6071 -161758.5602 -109258.6340 298.5852 -16.6646 7.6532 761719.1003 -7.1760 -7.1644 PRESSURE: 2717600 -29.5241 -85.6665 -10.0936 -85.666 45.1446 111.025 -10.093 111.023 506.135 GPRESSURE: 2717600 -47.4026 -170.163 34.0645 12.7828 169.032 148.422 -12.5689 64.2586 483.966 PRESSAVG: 2717600 -38.1328 -33.2515 51.3231 -33.2515 27.3309 31.2965 51.3231 31.2965 21.61 GPRESSAVG: 2717600 -38.7053 -32.3529 52.6362 -35.1551 27.4731 31.459 51.0753 32.5023 22.1064 TIMING: 2717600 CPU: 8582.99, 0.00315269/step Wall: 8582.99, 0.00315269/step, 1.9988 hours remaining, 235.957031 MB of memory in use. ENERGY: 2717600 3975.4120 20449.0845 14519.0189 221.7638 -203519.5008 2717.1294 0.0000 0.0000 52190.7300 -109446.3622 299.9408 -161637.0922 -109091.0323 298.8720 173.9185 201.8650 761650.8767 3.6027 3.6247 PRESSURE: 2717800 221.105 -14.2956 281.553 -14.2954 156.01 200.973 281.553 200.972 -465.206 GPRESSURE: 2717800 244.614 -34.8865 243.315 29.7662 214.995 61.7583 306.431 127.965 -461.088 PRESSAVG: 2717800 71.0184 -39.7882 -22.9146 -39.7882 -7.41871 40.9078 -22.9147 40.9078 -3.16104 GPRESSAVG: 2717800 71.3577 -41.6601 -22.2643 -37.2731 -7.40546 40.1701 -24.0784 39.2974 -3.31724 TIMING: 2717800 CPU: 8583.62, 0.0031472/step Wall: 8583.62, 0.0031472/step, 1.99515 hours remaining, 235.957031 MB of memory in use. ENERGY: 2717800 3943.7405 20626.2020 14543.5551 260.8638 -203226.1956 2605.3570 0.0000 0.0000 51723.2583 -109523.2188 297.2543 -161246.4771 -109162.9153 298.7476 -29.3637 -0.4928 761525.4470 20.1462 20.2117 PRESSURE: 2718000 -187.488 -190.371 49.3723 -190.372 233.728 -85.0381 49.3731 -85.0383 -167.143 GPRESSURE: 2718000 -179.226 -165.359 -23.5733 -218.556 330.352 -67.537 32.5644 -45.0909 -202.506 PRESSAVG: 2718000 -25.5299 19.0968 0.413286 19.0968 9.13661 6.47339 0.413265 6.47337 13.3622 GPRESSAVG: 2718000 -24.1518 20.1147 -0.727143 19.7401 9.01978 7.62999 2.58318 6.86385 12.1347 TIMING: 2718000 CPU: 8584.25, 0.00314824/step Wall: 8584.25, 0.00314824/step, 1.99564 hours remaining, 235.957031 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: 2718000 3994.7147 20525.4732 14446.8745 239.6051 -203354.8559 2724.8703 0.0000 0.0000 52036.0072 -109387.3109 299.0516 -161423.3181 -109016.1855 298.6454 -40.3013 -17.1269 763424.8915 -1.0103 -0.9991 PRESSURE: 2718200 104.392 -50.677 -182.808 -50.6773 -5.32683 -20.1605 -182.809 -20.1615 -7.78497 GPRESSURE: 2718200 133.107 -31.7431 -100.846 106.089 -14.0711 -54.6396 -220.872 -22.5723 52.8365 PRESSAVG: 2718200 -28.0546 -46.3666 39.0964 -46.3666 41.7631 -24.7512 39.0964 -24.7512 22.1377 GPRESSAVG: 2718200 -29.019 -45.6319 37.0032 -47.9487 41.052 -25.9998 38.7778 -23.0527 24.2216 TIMING: 2718200 CPU: 8584.88, 0.0031492/step Wall: 8584.88, 0.0031492/step, 1.99607 hours remaining, 235.957031 MB of memory in use. ENERGY: 2718200 3978.6250 20481.9341 14473.9574 250.3386 -203349.5196 2739.3317 0.0000 0.0000 51946.8391 -109478.4937 298.5392 -161425.3328 -109118.3665 298.5544 30.4268 57.2907 763196.9264 11.9487 12.0848 PRESSURE: 2718400 -269.034 -22.0584 -169.585 -22.0591 188.184 200.575 -169.585 200.574 177.346 GPRESSURE: 2718400 -90.5347 61.9893 -121.856 92.1343 170.705 169.695 -175.546 120.468 89.8458 PRESSAVG: 2718400 -26.0715 -30.1831 30.1681 -30.1831 40.6532 8.44885 30.1681 8.4488 27.6933 GPRESSAVG: 2718400 -26.0072 -32.2478 31.7292 -29.5725 41.9028 8.36409 28.5346 9.27337 26.5517 TIMING: 2718400 CPU: 8585.51, 0.00314538/step Wall: 8585.51, 0.00314538/step, 1.99347 hours remaining, 235.957031 MB of memory in use. ENERGY: 2718400 4005.6812 20407.2219 14470.4075 268.6985 -203555.5051 3053.3916 0.0000 0.0000 52110.1779 -109239.9266 299.4779 -161350.1044 -108890.8388 299.0577 32.1654 56.6720 763089.6657 14.0917 14.1491 PRESSURE: 2718600 -108.091 -28.2376 34.4111 -28.2374 392.737 242.836 34.4109 242.836 154.972 GPRESSURE: 2718600 68.3447 -122.97 52.5363 79.2192 320.241 211.731 39.5035 212.148 130.039 PRESSAVG: 2718600 -4.16726 -37.6652 8.49259 -37.6651 47.3924 -38.2547 8.49256 -38.2547 -8.36362 GPRESSAVG: 2718600 -3.63593 -37.382 9.29034 -36.9295 46.7364 -35.9109 7.99882 -40.0331 -7.70806 TIMING: 2718600 CPU: 8586.14, 0.0031555/step Wall: 8586.14, 0.0031555/step, 1.99971 hours remaining, 235.957031 MB of memory in use. ENERGY: 2718600 4000.9730 20375.8233 14544.7160 231.6581 -203318.9361 2775.4054 0.0000 0.0000 52162.7631 -109227.5972 299.7801 -161390.3603 -108862.7058 299.1747 146.5392 172.8749 762369.0496 11.6205 11.7975 PRESSURE: 2718800 -383.777 -115.39 109.344 -115.391 127.969 -106.927 109.344 -106.927 -225.163 GPRESSURE: 2718800 -269.01 -115.403 37.9134 -154.184 122.77 -167.045 88.2591 -21.567 -256.564 PRESSAVG: 2718800 -3.91043 3.26643 13.5637 3.26639 44.7242 -21.9849 13.5637 -21.9848 -16.0881 GPRESSAVG: 2718800 -3.20337 4.35458 13.5326 3.4849 44.3103 -24.2881 13.5088 -21.1268 -15.8143 TIMING: 2718800 CPU: 8586.77, 0.00316355/step Wall: 8586.77, 0.00316355/step, 2.00464 hours remaining, 235.957031 MB of memory in use. ENERGY: 2718800 4026.9441 20503.4192 14533.7563 255.4238 -202866.3673 2367.4709 0.0000 0.0000 52067.6317 -109111.7213 299.2334 -161179.3530 -108752.5186 299.4880 -160.3238 -134.2681 764811.6362 8.2419 8.4309 PRESSURE: 2719000 -23.3969 -39.722 -153.342 -39.723 75.2595 53.1234 -153.342 53.1238 51.9469 GPRESSURE: 2719000 1.19538 -144.379 -135.867 23.9728 188.568 18.7985 -52.6393 96.3792 -6.09028 PRESSAVG: 2719000 -35.4687 -7.17531 -14.2359 -7.17522 19.0107 -26.6053 -14.2358 -26.6053 20.1856 GPRESSAVG: 2719000 -37.1174 -8.76867 -14.3369 -8.3291 20.8993 -24.916 -11.4391 -27.0474 19.5024 TIMING: 2719000 CPU: 8587.4, 0.00315812/step Wall: 8587.4, 0.00315812/step, 2.00102 hours remaining, 235.957031 MB of memory in use. ENERGY: 2719000 4071.7943 20462.7111 14477.6625 256.0244 -203099.1611 2518.6114 0.0000 0.0000 52155.9978 -109156.3597 299.7412 -161312.3574 -108793.7802 299.1975 34.6032 61.2244 761581.8517 1.2425 1.0947 PRESSURE: 2719200 75.0764 -147.198 36.8105 -147.197 91.4429 166.198 36.8119 166.199 32.297 GPRESSURE: 2719200 206.67 -149.492 -19.3586 -166.74 98.1 150.735 35.5872 113.822 -27.5946 PRESSAVG: 2719200 6.73483 -29.2095 30.6813 -29.2095 -21.727 63.1023 30.6813 63.1023 21.1841 GPRESSAVG: 2719200 7.18451 -28.6699 30.0994 -29.3554 -21.9847 62.2848 29.7489 63.1233 20.9226 TIMING: 2719200 CPU: 8588.03, 0.00315265/step Wall: 8588.03, 0.00315265/step, 1.99738 hours remaining, 236.160156 MB of memory in use. ENERGY: 2719200 4025.7668 20498.9469 14458.2233 239.0078 -203519.6318 2908.0079 0.0000 0.0000 52249.5528 -109140.1264 300.2789 -161389.6792 -108777.7432 299.0310 66.2721 92.3919 763763.9161 2.0640 2.0408 PRESSURE: 2719400 -384.067 -108.77 257.377 -108.77 -92.2684 -132.543 257.379 -132.543 -205.796 GPRESSURE: 2719400 -315.19 -152.567 224.939 -70.1352 -76.0096 -203.659 155.253 -44.1251 -199.795 PRESSAVG: 2719400 -10.1541 -61.2201 11.7667 -61.2201 2.05346 -22.4524 11.7666 -22.4524 -1.56454 GPRESSAVG: 2719400 -10.8005 -58.9566 10.8589 -62.7657 2.27436 -22.3856 9.94051 -22.2276 -1.17415 TIMING: 2719400 CPU: 8588.66, 0.00313593/step Wall: 8588.66, 0.00313593/step, 1.98661 hours remaining, 236.160156 MB of memory in use. ENERGY: 2719400 4018.4615 20539.5560 14487.4482 237.2473 -202806.1739 2424.5513 0.0000 0.0000 52167.2800 -108931.6295 299.8061 -161098.9095 -108576.0104 299.4698 -227.3771 -196.9982 764049.4170 -3.2217 -3.2334 PRESSURE: 2719600 -47.0319 -120.904 22.7452 -120.904 196.016 46.5282 22.7446 46.528 266.949 GPRESSURE: 2719600 8.09385 -2.42209 12.1278 -83.7372 242.042 148.354 -8.70122 69.6383 253.792 PRESSAVG: 2719600 -36.1266 2.5064 -31.2212 2.50641 -5.03665 24.0172 -31.2213 24.0171 14.6124 GPRESSAVG: 2719600 -36.1573 1.70808 -32.5368 3.40357 -5.8902 24.6711 -29.4827 24.0112 15.5127 TIMING: 2719600 CPU: 8589.29, 0.0031508/step Wall: 8589.29, 0.0031508/step, 1.99586 hours remaining, 236.160156 MB of memory in use. ENERGY: 2719600 4053.4824 20552.7849 14444.3843 250.4078 -203616.4505 2797.4095 0.0000 0.0000 52445.6426 -109072.3391 301.4058 -161517.9817 -108703.1416 300.2515 138.6445 167.9761 760833.2021 -8.8503 -8.8449 PRESSURE: 2719800 -41.6672 -83.4899 -10.814 -83.4906 -234.869 -294.01 -10.8139 -294.01 120.154 GPRESSURE: 2719800 -95.3161 -79.2188 -21.6029 -71.3474 -142.959 -277.13 72.9338 -282.961 155.649 PRESSAVG: 2719800 21.766 20.75 11.9258 20.75 -25.1607 25.2358 11.9258 25.2358 -0.701324 GPRESSAVG: 2719800 22.442 19.5055 13.8947 20.4702 -24.4031 24.9312 11.469 26.8603 -1.99507 TIMING: 2719800 CPU: 8589.92, 0.00314167/step Wall: 8589.92, 0.00314167/step, 1.9899 hours remaining, 236.160156 MB of memory in use. ENERGY: 2719800 4128.9767 20450.9298 14468.3204 248.9671 -203684.3289 3095.7644 0.0000 0.0000 52022.7032 -109268.6674 298.9752 -161291.3706 -108912.3600 299.4260 -52.1273 -27.5420 763223.9985 -1.3653 -1.3187 PRESSURE: 2720000 111.737 196.347 -198.31 196.347 -108.297 -27.3989 -198.31 -27.3981 -198.657 GPRESSURE: 2720000 126 232.535 -96.6368 189.698 -49.752 -202.45 -100.864 -113.006 -175.81 PRESSAVG: 2720000 -8.56246 -15.0734 26.7464 -15.0734 21.1008 -65.5891 26.7464 -65.5891 -18.8428 GPRESSAVG: 2720000 -8.98965 -15.2175 28.0833 -13.0037 21.5866 -66.408 27.7992 -67.3477 -17.8993 TIMING: 2720000 CPU: 8590.55, 0.0031463/step Wall: 8590.55, 0.0031463/step, 1.99266 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: 2720000 3957.5278 20563.6044 14435.6048 239.8622 -203541.1447 2902.6162 0.0000 0.0000 52071.8580 -109370.0712 299.2577 -161441.9292 -109011.4629 299.1321 -65.0725 -33.1874 761901.8417 -2.1015 -1.7674 PRESSURE: 2720200 -21.2876 188.716 167.897 188.716 142.849 86.7516 167.897 86.7511 -118.823 GPRESSURE: 2720200 149.736 82.6795 223.319 166.118 103.226 134.482 182.074 -67.859 -169.285 PRESSAVG: 2720200 20.8079 -24.0681 10.5045 -24.0682 -20.5907 -7.65339 10.5046 -7.65346 -9.74149 GPRESSAVG: 2720200 20.4841 -22.3693 9.66428 -24.7997 -20.1212 -6.42061 9.04209 -7.40791 -9.45672 TIMING: 2720200 CPU: 8591.18, 0.00315198/step Wall: 8591.18, 0.00315198/step, 1.99608 hours remaining, 236.160156 MB of memory in use. ENERGY: 2720200 4030.3230 20538.2393 14559.1864 245.1326 -203119.1292 2486.9082 0.0000 0.0000 51858.9308 -109400.4089 298.0340 -161259.3397 -109030.3224 298.6570 0.9125 27.8923 763622.1652 -3.1748 -3.0313 LDB: ============= START OF LOAD BALANCING ============== 8603.71 LDB: ============== END OF LOAD BALANCING =============== 8603.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8603.71 LDB: ============= START OF LOAD BALANCING ============== 8604.03 LDB: Largest compute 7026 load 0.033556 is 17.2% of average load 0.195555 LDB: Average compute 0.004370 is 2.2% of average load 0.195555 LDB: TIME 8604.03 LOAD: AVG 0.195555 MAX 0.213353 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.531 MB LDB: TIME 8604.03 LOAD: AVG 0.195555 MAX 0.213353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: TIME 8604.03 LOAD: AVG 0.195555 MAX 0.213353 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: ============== END OF LOAD BALANCING =============== 8604.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8604.04 PRESSURE: 2720400 -25.7825 -249.211 -8.60231 -249.211 -45.6114 -94.3437 -8.6026 -94.3449 99.5796 GPRESSURE: 2720400 51.4606 -182.745 42.2235 -142.583 -37.3198 -118.656 -96.751 -16.3289 105.44 PRESSAVG: 2720400 -4.05024 -49.5113 -22.1548 -49.5113 7.30816 8.49493 -22.1548 8.49487 -27.6306 GPRESSAVG: 2720400 -3.00587 -48.2696 -21.256 -48.8563 6.15451 8.68013 -24.9572 9.61237 -27.1618 TIMING: 2720400 CPU: 8591.82, 0.00320895/step Wall: 8591.82, 0.00320895/step, 2.03198 hours remaining, 235.351562 MB of memory in use. ENERGY: 2720400 3887.0760 20534.9188 14405.0617 239.5038 -203200.1255 2519.5819 0.0000 0.0000 52093.9426 -109520.0408 299.3846 -161613.9834 -109144.8698 298.7355 9.3952 39.8601 763313.2105 -8.1242 -8.0044 PRESSURE: 2720600 -256.231 -13.9614 112.08 -13.9613 209.794 33.6803 112.08 33.6803 107.554 GPRESSURE: 2720600 -175.414 -55.6494 22.1425 -44.103 180.747 109.207 200.706 -225.993 149.753 PRESSAVG: 2720600 11.7351 -60.9359 33.234 -60.9359 -17.8517 5.56998 33.234 5.57003 24.9567 GPRESSAVG: 2720600 12.1639 -63.2321 31.5148 -60.8543 -17.827 4.1429 36.0158 4.34227 24.1766 TIMING: 2720600 CPU: 8592.45, 0.00315702/step Wall: 8592.45, 0.00315702/step, 1.99892 hours remaining, 235.351562 MB of memory in use. ENERGY: 2720600 3950.8950 20600.0597 14448.5956 264.0270 -202820.6398 2363.0725 0.0000 0.0000 51866.9671 -109327.0229 298.0802 -161193.9900 -108976.5044 298.7225 20.3722 51.6955 761699.3208 6.2800 6.1712 PRESSURE: 2720800 -183.115 -284.704 72.2969 -284.705 166.749 -181.892 72.2973 -181.892 -303.828 GPRESSURE: 2720800 -71.605 -254.156 83.2683 -253.27 77.686 -175.211 101.874 23.0265 -263.952 PRESSAVG: 2720800 41.7713 -44.909 30.1439 -44.909 -47.1321 -41.2552 30.1439 -41.2553 -34.6567 GPRESSAVG: 2720800 42.1021 -44.2454 28.604 -44.5072 -48.5328 -40.1309 29.2423 -40.5025 -33.3352 TIMING: 2720800 CPU: 8593.08, 0.00315031/step Wall: 8593.08, 0.00315031/step, 1.9945 hours remaining, 235.351562 MB of memory in use. ENERGY: 2720800 3989.8015 20364.2182 14420.3486 246.6041 -203255.3245 2545.3137 0.0000 0.0000 52335.6148 -109353.4235 300.7735 -161689.0383 -108987.3195 298.6707 -106.7314 -85.9571 762228.0522 -13.3392 -13.2553 PRESSURE: 2721000 15.1257 -35.0141 51.5406 -35.0135 214.366 -109.987 51.5405 -109.986 34.6934 GPRESSURE: 2721000 74.7109 -137.526 91.2115 -38.7433 194.278 -141.388 74.0008 -58.4426 71.1163 PRESSAVG: 2721000 81.9088 -46.4893 22.9787 -46.4893 -90.7041 22.7882 22.9787 22.7882 -12.2959 GPRESSAVG: 2721000 81.1942 -46.0507 24.7399 -47.2044 -90.8289 23.3022 23.1601 23.4263 -11.4353 TIMING: 2721000 CPU: 8593.71, 0.00315218/step Wall: 8593.71, 0.00315218/step, 1.9955 hours remaining, 235.351562 MB of memory in use. ENERGY: 2721000 3913.6954 20426.5843 14438.7863 229.2372 -202884.9867 2617.1759 0.0000 0.0000 52041.3838 -109218.1239 299.0825 -161259.5077 -108851.6531 298.9095 88.0615 113.3683 763415.2846 -7.0304 -7.0233 PRESSURE: 2721200 261.775 -84.1299 -76.6703 -84.1296 -294.85 -62.9702 -76.6706 -62.9717 67.4398 GPRESSURE: 2721200 275.168 -30.0187 -1.02865 -131.706 -160.229 -57.9504 -8.80018 -75.9243 12.066 PRESSAVG: 2721200 -25.7647 -61.7419 8.56598 -61.7419 1.05723 10.2864 8.56595 10.2863 -27.3947 GPRESSAVG: 2721200 -25.01 -61.1234 7.33797 -61.9715 1.70015 8.73196 9.13033 9.9439 -28.3368 TIMING: 2721200 CPU: 8594.35, 0.00316004/step Wall: 8594.35, 0.00316004/step, 2.0003 hours remaining, 235.351562 MB of memory in use. ENERGY: 2721200 3985.6306 20463.1104 14404.5584 257.0774 -202743.8419 2496.1013 0.0000 0.0000 51992.3120 -109145.0518 298.8005 -161137.3638 -108796.8413 298.5765 11.4550 42.3349 763161.4426 -17.3674 -17.2155 PRESSURE: 2721400 -150.261 155.112 33.0596 155.112 -15.0226 -251.569 33.0591 -251.568 -8.25285 GPRESSURE: 2721400 -182.528 115.652 -12.7218 141.77 84.5517 -280.77 -82.4697 -257.589 9.56524 PRESSAVG: 2721400 -0.269039 -14.4533 23.0716 -14.4532 3.29118 -29.4898 23.0715 -29.4898 22.9473 GPRESSAVG: 2721400 0.126454 -15.7762 23.6771 -13.6512 4.3563 -27.8026 24.2194 -30.4697 21.2798 TIMING: 2721400 CPU: 8594.97, 0.00314799/step Wall: 8594.97, 0.00314799/step, 1.9925 hours remaining, 235.351562 MB of memory in use. ENERGY: 2721400 3960.4649 20517.8940 14472.1439 251.9699 -203042.4373 2425.5469 0.0000 0.0000 52312.2747 -109102.1431 300.6394 -161414.4178 -108740.8032 299.0630 -57.8453 -29.4705 762174.7690 8.6565 8.5875 PRESSURE: 2721600 -131.051 132.357 45.9551 132.358 41.7449 -50.3079 45.9546 -50.3075 -14.7857 GPRESSURE: 2721600 -69.584 -43.801 78.1636 156.409 22.4053 -24.2763 23.4157 -155.175 19.0476 PRESSAVG: 2721600 55.8579 7.01755 34.1673 7.01758 -62.636 25.6599 34.1673 25.6599 7.83508 GPRESSAVG: 2721600 55.8717 7.07389 33.8088 6.78911 -62.9366 23.9156 32.7931 26.0589 8.5464 TIMING: 2721600 CPU: 8595.61, 0.00315395/step Wall: 8595.61, 0.00315395/step, 1.9961 hours remaining, 235.351562 MB of memory in use. ENERGY: 2721600 3961.3679 20555.9354 14498.1031 256.3242 -202841.2389 2519.0347 0.0000 0.0000 51919.4815 -109130.9921 298.3820 -161050.4736 -108760.8555 299.2436 -34.6972 -9.3770 762931.7043 0.3523 0.4938 PRESSURE: 2721800 -409.295 -193.182 -366.613 -193.181 -240.935 92.9269 -366.613 92.9283 79.8545 GPRESSURE: 2721800 -347.181 -135.802 -220.668 -222.507 -172.208 119.108 -256.918 58.1351 27.4051 PRESSAVG: 2721800 10.0594 -39.7052 5.29189 -39.7052 -0.189919 23.0081 5.29184 23.0081 -34.1686 GPRESSAVG: 2721800 9.59512 -39.585 5.87003 -40.236 -1.24174 23.7682 6.75101 23.0441 -32.7413 TIMING: 2721800 CPU: 8596.24, 0.00316134/step Wall: 8596.24, 0.00316134/step, 2.0006 hours remaining, 235.351562 MB of memory in use. ENERGY: 2721800 3973.9100 20449.8888 14486.9257 266.8968 -202825.8254 2337.2716 0.0000 0.0000 51826.8061 -109484.1264 297.8494 -161310.9325 -109123.6959 298.3787 -190.1250 -163.9944 762100.6933 -8.0997 -8.1293 PRESSURE: 2722000 99.5333 370.946 -173.476 370.946 -286.64 137.223 -173.476 137.223 -37.6638 GPRESSURE: 2722000 79.7366 312.219 -80.4062 223.691 -178.61 77.3978 -19.7228 145.05 -42.4737 PRESSAVG: 2722000 27.9981 -1.59865 -16.3787 -1.59863 -7.89732 27.7231 -16.3787 27.723 13.6129 GPRESSAVG: 2722000 28.0902 -0.633864 -15.5151 -4.18979 -7.4425 27.327 -18.3937 26.6668 13.3985 TIMING: 2722000 CPU: 8596.87, 0.00316261/step Wall: 8596.87, 0.00316261/step, 2.00123 hours remaining, 235.351562 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: 2722000 4008.2147 20489.0733 14428.3689 242.4471 -202843.6335 2395.8050 0.0000 0.0000 51773.2303 -109506.4941 297.5415 -161279.7244 -109148.9508 298.4383 -74.9234 -47.1159 762047.4892 11.2379 11.3487 PRESSURE: 2722200 -217.015 -86.9793 34.7851 -86.9794 -208.246 -381.955 34.7853 -381.956 -119.225 GPRESSURE: 2722200 -209.641 -49.2747 73.0889 73.5736 -164.983 -385.203 93.2601 -234.546 -74.8062 PRESSAVG: 2722200 67.084 35.1153 -6.32769 35.1152 -20.0969 16.0026 -6.32767 16.0025 -11.6003 GPRESSAVG: 2722200 65.8651 34.3663 -8.31773 37.839 -18.8674 17.3042 -2.92314 16.0934 -11.7074 TIMING: 2722200 CPU: 8597.5, 0.00316314/step Wall: 8597.5, 0.00316314/step, 2.00139 hours remaining, 235.351562 MB of memory in use. ENERGY: 2722200 3922.3736 20505.0087 14479.8301 253.3722 -203135.4499 2519.2533 0.0000 0.0000 51864.2597 -109591.3522 298.0646 -161455.6119 -109225.4561 298.6505 -181.4954 -149.8099 761787.5983 11.7956 11.7634 PRESSURE: 2722400 144.869 -55.7438 -84.1386 -55.7442 425.7 68.5114 -84.1377 68.5112 465.016 GPRESSURE: 2722400 246.251 -63.0903 -82.1264 -31.6617 410.391 159.34 -96.1056 65.6497 457.498 PRESSAVG: 2722400 -27.4856 -34.5958 -37.4251 -34.5958 46.5771 -7.50457 -37.4251 -7.50453 23.5672 GPRESSAVG: 2722400 -25.6135 -34.2644 -35.7084 -33.6916 44.8554 -7.9491 -40.2709 -8.75103 23.0788 TIMING: 2722400 CPU: 8598.13, 0.00315353/step Wall: 8598.13, 0.00315353/step, 1.99513 hours remaining, 235.351562 MB of memory in use. ENERGY: 2722400 3949.1408 20399.1114 14484.6023 248.4225 -203584.8922 2935.2006 0.0000 0.0000 51882.0387 -109686.3759 298.1668 -161568.4146 -109338.9336 298.1062 345.1949 371.3799 761301.9305 14.2196 14.1069 PRESSURE: 2722600 342.7 -52.2892 -200.576 -52.29 341.523 -23.2133 -200.576 -23.2126 310.432 GPRESSURE: 2722600 367.787 -95.6544 -242.933 -24.4575 393.227 -11.3637 -87.6905 -70.6675 330.51 PRESSAVG: 2722600 -12.3434 -5.11812 -37.054 -5.11821 29.7924 39.8614 -37.054 39.8615 -1.77574 GPRESSAVG: 2722600 -14.1248 -5.17176 -36.7632 -4.26344 30.68 39.2219 -36.9519 41.4684 -0.578646 TIMING: 2722600 CPU: 8598.76, 0.00315573/step Wall: 8598.76, 0.00315574/step, 1.99635 hours remaining, 235.351562 MB of memory in use. ENERGY: 2722600 3944.7322 20522.4735 14545.9934 243.3848 -203653.9071 3088.1937 0.0000 0.0000 51797.9059 -109511.2235 297.6833 -161309.1295 -109154.6648 298.3475 331.5517 363.8411 761327.5095 5.2244 5.3255 PRESSURE: 2722800 -105.271 -263.34 74.8587 -263.34 -294.622 -80.0502 74.8582 -80.0512 168.074 GPRESSURE: 2722800 -71.7182 -270.29 36.0682 -300.018 -212.713 -150.638 62.1588 -265.197 150.419 PRESSAVG: 2722800 -0.0969542 -59.1873 -7.46301 -59.1873 47.1289 -20.538 -7.46308 -20.538 -4.37645 GPRESSAVG: 2722800 0.769279 -59.2663 -7.22793 -60.1336 46.3024 -19.3153 -7.7028 -22.4016 -4.87833 TIMING: 2722800 CPU: 8599.39, 0.00314542/step Wall: 8599.39, 0.00314542/step, 1.98966 hours remaining, 235.351562 MB of memory in use. ENERGY: 2722800 3993.1445 20504.0536 14469.2986 247.0320 -203095.4439 2555.6115 0.0000 0.0000 51812.8049 -109513.4987 297.7689 -161326.3036 -109154.1523 298.4367 -77.2731 -44.6708 763407.5819 14.2185 14.0644 PRESSURE: 2723000 -82.5691 -243.861 -263.192 -243.862 97.1305 -199.914 -263.192 -199.913 234.566 GPRESSURE: 2723000 -46.7699 -264.153 -271.06 -284.105 55.9985 -239.935 -235.7 -149.035 295.14 PRESSAVG: 2723000 -0.712623 -26.3178 -16.805 -26.3178 -15.1158 -36.069 -16.805 -36.069 -1.72725 GPRESSAVG: 2723000 -1.74738 -25.9139 -18.5787 -26.7619 -15.381 -36.6686 -16.71 -34.9495 -1.22945 TIMING: 2723000 CPU: 8600.02, 0.00314918/step Wall: 8600.02, 0.00314918/step, 1.99185 hours remaining, 235.351562 MB of memory in use. ENERGY: 2723000 3927.5480 20412.0735 14492.6917 253.4068 -202859.3498 2539.5728 0.0000 0.0000 51897.1970 -109336.8601 298.2539 -161234.0570 -108975.5707 298.6219 83.0424 101.4562 762460.6690 -5.8519 -6.1193 PRESSURE: 2723200 91.5174 -24.971 -7.1915 -24.9709 -338.042 -129.231 -7.19184 -129.231 89.2671 GPRESSURE: 2723200 149.518 107.539 15.2783 -95.1246 -261.995 -219.713 11.6663 -197.861 57.2639 PRESSAVG: 2723200 48.1681 -1.50005 -22.9162 -1.50001 -56.2739 -33.6908 -22.9162 -33.6908 -15.1419 GPRESSAVG: 2723200 48.8458 -2.34044 -23.513 -2.2312 -55.139 -34.5546 -22.3345 -33.7513 -16.6312 TIMING: 2723200 CPU: 8600.66, 0.00317789/step Wall: 8600.66, 0.00317789/step, 2.00984 hours remaining, 235.351562 MB of memory in use. ENERGY: 2723200 3939.8988 20346.1270 14492.3066 244.0254 -203380.2412 2915.6129 0.0000 0.0000 52181.8348 -109260.4358 299.8897 -161442.2705 -108894.1668 298.8657 -52.4190 -18.4043 763279.3235 -7.7493 -7.6415 PRESSURE: 2723400 -44.8751 -252.918 158.112 -252.918 140.402 83.1747 158.113 83.1743 427.904 GPRESSURE: 2723400 -29.8384 -236.357 85.6137 -207.639 170.083 97.417 155.635 19.795 465.69 PRESSAVG: 2723400 32.1319 -91.4248 28.694 -91.4248 -11.7632 -30.4359 28.6939 -30.4359 5.52744 GPRESSAVG: 2723400 31.8136 -90.2313 30.0205 -89.356 -12.0878 -29.1338 28.8589 -31.1488 6.69141 TIMING: 2723400 CPU: 8601.3, 0.00320114/step Wall: 8601.3, 0.00320114/step, 2.02436 hours remaining, 235.351562 MB of memory in use. ENERGY: 2723400 4009.9649 20460.8164 14500.6259 247.0518 -203253.3489 2644.1667 0.0000 0.0000 52177.4670 -109213.2562 299.8646 -161390.7232 -108857.3872 299.0439 174.4768 201.9782 763912.4240 8.6320 8.8057 PRESSURE: 2723600 -166.885 219.776 -165.476 219.777 268.119 103.258 -165.476 103.259 89.5805 GPRESSURE: 2723600 -37.9621 139.711 -140.32 120.128 233.85 116.033 -166.318 31.8667 82.8367 PRESSAVG: 2723600 -14.0673 -40.3471 -56.9511 -40.3471 -3.34637 -26.9111 -56.9511 -26.9112 11.9826 GPRESSAVG: 2723600 -13.0256 -41.7509 -56.3511 -41.2263 -4.71775 -28.5496 -57.3959 -26.3474 12.5356 TIMING: 2723600 CPU: 8601.93, 0.00316892/step Wall: 8601.93, 0.00316892/step, 2.00381 hours remaining, 235.351562 MB of memory in use. ENERGY: 2723600 3976.3830 20613.5611 14465.8842 253.3390 -203111.0897 2521.9311 0.0000 0.0000 51891.6492 -109388.3421 298.2220 -161279.9913 -109031.3615 299.0586 63.6046 92.9081 762494.7289 -1.8104 -1.7359 PRESSURE: 2723800 -156.775 -85.6417 31.2375 -85.641 -74.6805 -175.189 31.2372 -175.19 227.955 GPRESSURE: 2723800 -116.156 -75.7004 81.8015 -80.712 21.9674 -157.668 43.0266 -48.1406 186.881 PRESSAVG: 2723800 24.4437 1.39697 32.5441 1.39698 17.8749 14.3641 32.5441 14.3641 1.6 GPRESSAVG: 2723800 22.5871 -0.0010312 31.633 2.22695 20.2485 14.2556 33.0734 14.2775 0.878565 TIMING: 2723800 CPU: 8602.57, 0.00318496/step Wall: 8602.57, 0.00318496/step, 2.01378 hours remaining, 235.351562 MB of memory in use. ENERGY: 2723800 3919.8418 20495.3887 14436.4113 243.0961 -202844.5680 2475.4766 0.0000 0.0000 52013.0914 -109261.2622 298.9200 -161274.3536 -108901.8620 299.1369 -1.1668 30.8975 763011.0957 14.6395 14.5714 PRESSURE: 2724000 -400.538 119.218 -122.237 119.218 32.5164 160.195 -122.237 160.196 278.822 GPRESSURE: 2724000 -372.644 -27.8191 -111.256 253.544 81.6114 150.736 -272.098 228.099 279.61 PRESSAVG: 2724000 17.4521 2.94811 -57.2739 2.94815 6.88153 -13.9967 -57.2738 -13.9968 -27.8707 GPRESSAVG: 2724000 19.4211 5.34 -58.6051 2.10069 5.07393 -12.0252 -57.7876 -14.6659 -27.7522 TIMING: 2724000 CPU: 8603.2, 0.00315398/step Wall: 8603.2, 0.00315398/step, 1.99401 hours remaining, 235.351562 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: 2724000 3956.2930 20463.2663 14531.0073 262.9244 -203156.6390 2719.0460 0.0000 0.0000 52071.5394 -109152.5627 299.2559 -161224.1021 -108787.8977 299.3150 -29.7331 -3.8075 762683.7605 -1.1790 -1.0857 PRESSURE: 2724200 226.377 -38.5053 -72.5957 -38.5052 -72.2553 -190.782 -72.5957 -190.782 188.044 GPRESSURE: 2724200 163.197 -166.574 -57.4138 -45.9044 33.0745 -190.379 -114.383 -88.5648 225.492 PRESSAVG: 2724200 26.9152 0.579202 -45.9679 0.579263 8.92929 -79.7067 -45.9679 -79.7067 5.15595 GPRESSAVG: 2724200 25.8641 -1.10346 -46.6055 1.56786 11.1587 -80.4254 -45.5845 -79.5606 4.37023 TIMING: 2724200 CPU: 8603.83, 0.00315453/step Wall: 8603.83, 0.00315453/step, 1.99419 hours remaining, 235.351562 MB of memory in use. ENERGY: 2724200 3959.3083 20567.8127 14544.0061 246.1277 -202945.6947 2582.7711 0.0000 0.0000 52050.7696 -108994.8993 299.1365 -161045.6689 -108635.6769 299.3125 114.0554 140.5879 762119.6814 13.6668 13.7977 LDB: ============= START OF LOAD BALANCING ============== 8616.36 LDB: ============== END OF LOAD BALANCING =============== 8616.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8616.37 LDB: ============= START OF LOAD BALANCING ============== 8616.68 LDB: Largest compute 7065 load 0.033491 is 17.1% of average load 0.195464 LDB: Average compute 0.004378 is 2.2% of average load 0.195464 LDB: TIME 8616.68 LOAD: AVG 0.195464 MAX 0.215756 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.133 MB LDB: TIME 8616.69 LOAD: AVG 0.195464 MAX 0.215756 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.203 MB LDB: TIME 8616.69 LOAD: AVG 0.195464 MAX 0.215756 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.203 MB LDB: ============== END OF LOAD BALANCING =============== 8616.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8616.69 PRESSURE: 2724400 -95.9781 93.4881 -44.1949 93.4885 136.675 -90.2942 -44.1943 -90.2931 43.1361 GPRESSURE: 2724400 8.56286 4.26828 -41.8531 89.116 125.842 -53.3868 -97.0392 -116.912 39.0606 PRESSAVG: 2724400 14.6493 -15.9138 16.9205 -15.9139 -36.5424 2.81307 16.9206 2.8131 -4.03518 GPRESSAVG: 2724400 15.8383 -15.9495 18.6469 -16.5106 -38.1795 1.23383 15.4624 4.186 -3.80592 TIMING: 2724400 CPU: 8604.48, 0.00321604/step Wall: 8604.48, 0.00321604/step, 2.03289 hours remaining, 234.988281 MB of memory in use. ENERGY: 2724400 3980.6022 20645.1240 14478.6233 251.4624 -202915.9157 2479.6261 0.0000 0.0000 52471.3491 -108609.1286 301.5536 -161080.4777 -108254.4157 300.1306 27.9444 57.8217 761271.4234 -8.6428 -8.7157 PRESSURE: 2724600 -122.649 -239.35 -2.2044 -239.35 -1.73783 27.2804 -2.20369 27.2802 -368.483 GPRESSURE: 2724600 -62.0571 -127.44 55.7624 -215.375 -79.2278 58.768 11.3499 -34.1352 -281.293 PRESSAVG: 2724600 13.0898 -42.4467 -4.31579 -42.4467 7.00914 37.0939 -4.31583 37.0939 18.4266 GPRESSAVG: 2724600 11.8394 -42.0519 -4.64295 -41.6167 7.21471 41.1872 -3.51677 33.4696 19.3692 TIMING: 2724600 CPU: 8605.1, 0.00313785/step Wall: 8605.1, 0.00313785/step, 1.98329 hours remaining, 234.988281 MB of memory in use. ENERGY: 2724600 3992.4056 20670.6721 14551.9395 254.4004 -202652.6494 2345.7618 0.0000 0.0000 51945.5634 -108891.9066 298.5319 -160837.4700 -108527.8811 300.0247 -164.2898 -140.8595 764467.1114 12.8419 12.8078 PRESSURE: 2724800 -235.867 -10.3554 326.669 -10.3556 -304.932 8.89014 326.669 8.89006 -319.011 GPRESSURE: 2724800 -178.063 14.8412 314.492 -58.9936 -300.176 13.5531 246.446 -18.367 -304.316 PRESSAVG: 2724800 -71.5989 -14.4101 20.1879 -14.4101 38.1236 -18.3557 20.188 -18.3558 9.12918 GPRESSAVG: 2724800 -71.0055 -13.6403 19.4394 -15.8451 38.4419 -22.6514 23.4619 -17.0432 8.16931 TIMING: 2724800 CPU: 8605.73, 0.00314533/step Wall: 8605.73, 0.00314533/step, 1.98785 hours remaining, 234.988281 MB of memory in use. ENERGY: 2724800 3982.8197 20554.4845 14521.6769 245.7764 -202661.3026 2076.4629 0.0000 0.0000 52006.1581 -109273.9243 298.8801 -161280.0823 -108913.3931 300.1006 -286.6033 -260.8516 762375.6844 -8.1154 -8.1314 PRESSURE: 2725000 -55.7592 -157.657 65.722 -157.656 5.74691 -13.3397 65.7225 -13.3402 -273.269 GPRESSURE: 2725000 -7.66155 -174.171 129.626 -43.3793 8.75021 -1.53095 32.3146 8.42562 -218.723 PRESSAVG: 2725000 10.4443 -57.8318 46.9053 -57.8318 13.4603 -19.2351 46.9054 -19.235 15.3823 GPRESSAVG: 2725000 10.1061 -59.7593 47.5523 -55.3714 13.6191 -19.0649 43.7186 -19.11 15.7881 TIMING: 2725000 CPU: 8606.36, 0.00314287/step Wall: 8606.36, 0.00314287/step, 1.98612 hours remaining, 234.988281 MB of memory in use. ENERGY: 2725000 3937.8964 20424.7690 14481.0558 244.9758 -203152.7524 2702.3916 0.0000 0.0000 51962.8342 -109398.8296 298.6311 -161361.6638 -109046.3395 298.9171 -107.7605 -72.5447 762776.5566 13.0956 13.1711 PRESSURE: 2725200 91.2943 -22.8171 -223.149 -22.817 -85.5142 60.2027 -223.149 60.2028 -93.5365 GPRESSURE: 2725200 168.094 -97.4265 -178.146 -140.831 -86.9841 -8.44864 -156.426 130.901 -74.3711 PRESSAVG: 2725200 -13.9903 -20.2263 -28.5268 -20.2262 29.0336 -12.766 -28.5268 -12.7659 -16.951 GPRESSAVG: 2725200 -13.8893 -19.5432 -30.2342 -21.2996 29.4744 -12.433 -27.1024 -11.2872 -17.6315 TIMING: 2725200 CPU: 8606.99, 0.00314878/step Wall: 8606.99, 0.00314878/step, 1.98968 hours remaining, 234.988281 MB of memory in use. ENERGY: 2725200 4001.4436 20476.2846 14498.1286 248.6349 -203268.2834 2554.3458 0.0000 0.0000 52058.3199 -109431.1259 299.1799 -161489.4458 -109066.5196 298.8178 -29.2521 2.2464 763036.2508 -0.6359 -0.6821 PRESSURE: 2725400 196.502 -11.1751 64.4593 -11.1753 -311.923 335.412 64.4598 335.412 -46.3772 GPRESSURE: 2725400 240.872 3.2958 41.6726 -25.953 -232.692 338.768 -130.508 397.511 -66.0929 PRESSAVG: 2725400 54.2403 -20.6936 -57.5773 -20.6935 -7.065 -1.43425 -57.5773 -1.43421 -5.57603 GPRESSAVG: 2725400 53.2832 -18.3665 -57.6378 -21.7239 -6.79697 -1.64152 -58.4118 -3.03985 -4.76377 TIMING: 2725400 CPU: 8607.62, 0.00314594/step Wall: 8607.62, 0.00314594/step, 1.98771 hours remaining, 234.988281 MB of memory in use. ENERGY: 2725400 4006.7482 20528.9860 14460.8705 253.4972 -203214.6787 2687.0528 0.0000 0.0000 51948.1783 -109329.3456 298.5469 -161277.5240 -108973.0419 298.6809 -53.9326 -19.3046 763149.5650 13.8664 13.9075 PRESSURE: 2725600 101.835 -81.43 106.499 -81.4304 139.453 125.927 106.5 125.929 76.7165 GPRESSURE: 2725600 158.289 -131.432 73.8475 -57.2257 184.522 62.9205 99.8676 34.2141 75.6851 PRESSAVG: 2725600 -27.7622 -37.2854 30.2587 -37.2854 20.9627 -31.7361 30.2587 -31.7361 -13.1055 GPRESSAVG: 2725600 -26.372 -40.687 31.0342 -36.6507 19.6197 -31.5486 31.3541 -31.2013 -13.2057 TIMING: 2725600 CPU: 8608.25, 0.00313962/step Wall: 8608.25, 0.00313962/step, 1.98354 hours remaining, 234.988281 MB of memory in use. ENERGY: 2725600 3994.0762 20678.9013 14450.5446 243.6954 -203298.6763 2530.0112 0.0000 0.0000 52183.7628 -109217.6849 299.9008 -161401.4477 -108860.5184 298.7636 106.0016 139.4990 761590.6140 -6.6350 -6.6527 PRESSURE: 2725800 150.559 -75.4012 -132.469 -75.4013 218.86 -74.462 -132.47 -74.4619 101.032 GPRESSURE: 2725800 181.174 -4.26526 -55.8797 48.5383 239.015 -53.5796 -31.7717 -173.093 117.014 PRESSAVG: 2725800 -31.2419 -79.235 16.503 -79.235 28.4358 30.2831 16.503 30.2831 -13.7852 GPRESSAVG: 2725800 -30.0867 -78.9956 17.5821 -79.3893 29.267 30.0176 15.0022 29.7479 -15.5387 TIMING: 2725800 CPU: 8608.88, 0.00315856/step Wall: 8608.88, 0.00315856/step, 1.99533 hours remaining, 234.988281 MB of memory in use. ENERGY: 2725800 4000.2533 20596.8973 14419.1736 249.5598 -203280.1087 2714.4376 0.0000 0.0000 52059.5316 -109240.2556 299.1868 -161299.7872 -108872.6729 299.3524 156.8169 179.0680 761909.9068 -5.5304 -5.4528 PRESSURE: 2726000 55.212 30.9973 150.613 30.9975 -131.037 351.887 150.614 351.887 -204.676 GPRESSURE: 2726000 90.5872 121.049 123.871 117.994 -103.345 421.445 114.148 291.623 -179.756 PRESSAVG: 2726000 -57.9883 -78.927 28.6143 -78.927 19.7209 -33.0526 28.6143 -33.0526 -20.3341 GPRESSAVG: 2726000 -58.4666 -77.8878 27.4718 -74.92 19.2167 -32.3298 29.2218 -33.2514 -18.9243 TIMING: 2726000 CPU: 8609.51, 0.00317061/step Wall: 8609.51, 0.00317061/step, 2.00277 hours remaining, 234.988281 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: 2726000 4031.5605 20707.5080 14417.1305 244.6336 -203069.6284 2445.9355 0.0000 0.0000 51916.9088 -109305.9514 298.3672 -161222.8602 -108948.3697 299.0252 -93.5002 -64.1714 762725.0320 -19.5338 -19.3914 PRESSURE: 2726200 -336.803 148.155 -37.1683 148.155 56.8671 -191.439 -37.1672 -191.439 -4.56009 GPRESSURE: 2726200 -211.837 37.3782 -59.4618 177.531 52.9843 -264.006 46.451 -251.908 -54.8931 PRESSAVG: 2726200 28.3782 -30.6501 14.6397 -30.6501 27.7506 -11.1735 14.6398 -11.1735 12.6892 GPRESSAVG: 2726200 28.1863 -30.0058 13.4475 -34.4644 28.6586 -11.6249 14.3801 -10.946 11.7137 TIMING: 2726200 CPU: 8610.15, 0.0031709/step Wall: 8610.15, 0.0031709/step, 2.00277 hours remaining, 234.988281 MB of memory in use. ENERGY: 2726200 4033.0505 20461.7188 14445.2092 236.1372 -203458.2123 2817.2212 0.0000 0.0000 52107.7224 -109357.1530 299.4638 -161464.8754 -109000.2863 299.8087 -94.8318 -71.2487 760951.8013 22.9393 22.8529 PRESSURE: 2726400 114.97 134.612 -219.571 134.613 -18.443 -196.128 -219.571 -196.127 12.4702 GPRESSURE: 2726400 89.2541 206.754 -140.479 108.648 -14.8053 -112.423 -258.128 -122.002 120.831 PRESSAVG: 2726400 6.06076 -9.33177 -17.5171 -9.33176 19.2568 -16.3975 -17.517 -16.3975 -11.639 GPRESSAVG: 2726400 5.05025 -8.9667 -17.2678 -8.5966 19.261 -15.9798 -15.6255 -13.7229 -10.7356 TIMING: 2726400 CPU: 8610.78, 0.00316146/step Wall: 8610.78, 0.00316146/step, 1.99664 hours remaining, 234.988281 MB of memory in use. ENERGY: 2726400 4037.3866 20484.6115 14434.2314 251.2918 -203612.8661 2674.1273 0.0000 0.0000 52308.5562 -109422.6614 300.6180 -161731.2176 -109064.7548 299.1216 36.3324 65.0931 759871.2330 4.5595 4.5252 PRESSURE: 2726600 -274.302 79.2781 183.3 79.2776 -364.304 -32.3751 183.301 -32.3754 -143.394 GPRESSURE: 2726600 -363.372 42.426 80.5491 10.5326 -191.823 35.2354 66.6182 47.1054 -135.383 PRESSAVG: 2726600 32.8668 -32.2717 29.0587 -32.2717 43.6894 -3.03159 29.0587 -3.03155 30.3198 GPRESSAVG: 2726600 33.9578 -32.9893 32.0757 -32.8337 42.4132 -2.38553 26.0101 -6.75053 30.1531 TIMING: 2726600 CPU: 8611.41, 0.00315657/step Wall: 8611.41, 0.00315657/step, 1.99337 hours remaining, 234.988281 MB of memory in use. ENERGY: 2726600 3999.3891 20574.2429 14501.5568 240.7101 -203431.6697 2539.4555 0.0000 0.0000 52158.8497 -109417.4657 299.7576 -161576.3154 -109061.6682 299.1155 -260.6668 -230.1926 761471.2533 35.6253 35.5080 PRESSURE: 2726800 20.908 -123.761 -56.0671 -123.761 -93.6334 85.6324 -56.067 85.6328 -22.1876 GPRESSURE: 2726800 5.30071 -190.005 -95.4242 -58.6989 -24.0026 94.3328 45.8466 40.861 14.6297 PRESSAVG: 2726800 -1.5432 -16.8136 30.7268 -16.8136 4.98325 12.6583 30.7268 12.6583 -21.7647 GPRESSAVG: 2726800 -3.04873 -15.7319 29.8095 -15.2676 5.9998 11.6096 30.9118 14.5422 -21.4384 TIMING: 2726800 CPU: 8612.04, 0.00316087/step Wall: 8612.04, 0.00316087/step, 1.99591 hours remaining, 235.191406 MB of memory in use. ENERGY: 2726800 3914.4166 20522.7853 14514.5979 240.9200 -203068.4982 2398.7461 0.0000 0.0000 51908.3021 -109568.7301 298.3177 -161477.0322 -109204.7373 299.0927 -31.6377 -1.3574 762297.5106 -6.1082 -6.1624 PRESSURE: 2727000 -177.57 99.5281 -255.558 99.5277 165.659 9.42852 -255.558 9.42836 170.943 GPRESSURE: 2727000 -118.15 90.5781 -212.752 79.3125 214.007 -15.8574 -156.131 -31.9488 160.516 PRESSAVG: 2727000 21.846 -17.8197 2.79037 -17.8197 -28.3785 -4.17932 2.79035 -4.17933 -0.369595 GPRESSAVG: 2727000 22.3662 -19.5074 3.37553 -18.1983 -28.4546 -4.09412 2.03946 -3.99056 -0.200129 TIMING: 2727000 CPU: 8612.67, 0.00315254/step Wall: 8612.67, 0.00315254/step, 1.99048 hours remaining, 235.191406 MB of memory in use. ENERGY: 2727000 3989.9831 20358.2873 14531.1957 248.6476 -203679.4227 2747.7985 0.0000 0.0000 52177.6028 -109625.9076 299.8654 -161803.5104 -109265.9029 298.4711 53.0108 85.4578 762986.2691 -2.3007 -2.0962 PRESSURE: 2727200 -39.5734 -21.5091 52.9533 -21.5088 176.929 -65.1007 52.9529 -65.1011 -344.713 GPRESSURE: 2727200 -58.7602 40.0354 81.1742 -37.4677 229.941 -65.2714 125.433 18.7873 -277.411 PRESSAVG: 2727200 50.0634 -50.1593 -27.8131 -50.1594 20.5607 -23.2005 -27.8132 -23.2005 14.4626 GPRESSAVG: 2727200 48.8733 -48.0965 -28.4163 -50.8288 22.1317 -22.7222 -26.8802 -23.3932 13.8966 TIMING: 2727200 CPU: 8613.3, 0.00315474/step Wall: 8613.3, 0.00315474/step, 1.9917 hours remaining, 235.191406 MB of memory in use. ENERGY: 2727200 3949.8248 20399.3862 14472.4174 245.2375 -203380.6356 2620.0214 0.0000 0.0000 51938.9644 -109754.7839 298.4939 -161693.7482 -109385.0411 298.4625 -69.1191 -35.4101 761468.7419 28.3622 28.3005 PRESSURE: 2727400 -212.774 89.6624 -168.573 89.6631 -28.9226 94.3243 -168.573 94.3236 197.646 GPRESSURE: 2727400 -137.719 37.8802 -91.8892 35.1851 -21.2058 74.1938 -91.8123 131.829 201.076 PRESSAVG: 2727400 -29.3549 -5.29446 -4.7951 -5.29451 -35.9572 -35.2271 -4.79507 -35.2272 -1.4873 GPRESSAVG: 2727400 -27.5687 -7.69492 -5.91244 -1.63945 -38.6612 -34.2431 -2.06319 -34.9596 -0.702873 TIMING: 2727400 CPU: 8613.93, 0.0031448/step Wall: 8613.93, 0.0031448/step, 1.98524 hours remaining, 235.191406 MB of memory in use. ENERGY: 2727400 4000.6239 20625.3763 14491.8924 235.3598 -203385.1957 2585.9649 0.0000 0.0000 51829.5645 -109616.4138 297.8652 -161445.9783 -109262.8647 298.2827 -14.6834 14.0505 761325.7788 -22.2665 -22.3109 PRESSURE: 2727600 211.292 -63.0877 158.889 -63.088 -267.75 -209.567 158.889 -209.568 -306.931 GPRESSURE: 2727600 287.269 -77.9998 82.0924 -198.233 -178.23 -261.324 83.9547 -113.821 -369.908 PRESSAVG: 2727600 2.87909 -57.383 -22.0767 -57.383 -29.4618 -93.6078 -22.0767 -93.6077 8.46749 GPRESSAVG: 2727600 1.94596 -57.116 -20.9988 -59.1881 -28.2557 -95.0683 -23.5389 -92.1826 7.96095 TIMING: 2727600 CPU: 8614.56, 0.00313635/step Wall: 8614.56, 0.00313635/step, 1.97973 hours remaining, 235.191406 MB of memory in use. ENERGY: 2727600 3928.0318 20411.0702 14633.0025 236.4960 -203110.2751 2414.3881 0.0000 0.0000 51929.3890 -109557.8974 298.4389 -161487.2864 -109187.8000 298.3015 -121.1295 -86.9563 761514.6949 -6.0384 -6.1163 PRESSURE: 2727800 -178.054 -3.64545 -42.9789 -3.64533 -305.646 113.653 -42.9792 113.653 85.0227 GPRESSURE: 2727800 -118.026 -47.7617 -82.4952 -51.1378 -317.534 48.3125 66.5899 48.8965 111.069 PRESSAVG: 2727800 61.6426 -25.403 13.3005 -25.403 -58.4791 -44.6589 13.3004 -44.6589 -2.13291 GPRESSAVG: 2727800 62.6181 -24.958 12.196 -26.5611 -59.1969 -44.8016 11.042 -44.9635 -1.94626 TIMING: 2727800 CPU: 8615.19, 0.0031614/step Wall: 8615.19, 0.0031614/step, 1.99537 hours remaining, 235.191406 MB of memory in use. ENERGY: 2727800 3939.8269 20549.6606 14598.0934 232.0747 -203134.0455 2319.0730 0.0000 0.0000 51899.8144 -109595.5024 298.2689 -161495.3168 -109237.6146 298.2837 -132.8925 -108.1636 760373.6244 0.3435 0.4917 PRESSURE: 2728000 530.809 -214.494 -364.205 -214.494 466.497 193.409 -364.206 193.409 285.692 GPRESSURE: 2728000 539.588 -113.402 -231.85 -198.522 420.745 314.527 -316.817 186.459 383.352 PRESSAVG: 2728000 15.2275 -6.76119 -38.6664 -6.76116 14.8174 27.4816 -38.6665 27.4817 23.6617 GPRESSAVG: 2728000 13.7045 -5.95579 -37.5064 -7.24772 16.3013 28.1685 -36.8151 23.7218 23.7895 TIMING: 2728000 CPU: 8615.82, 0.00314607/step Wall: 8615.82, 0.00314607/step, 1.98552 hours remaining, 235.191406 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: 2728000 3917.1292 20618.6930 14559.8634 248.7481 -203356.2407 2772.3793 0.0000 0.0000 51698.8132 -109540.6143 297.1138 -161239.4276 -109182.6156 298.3936 427.6660 447.8949 760574.3946 17.9022 17.9318 PRESSURE: 2728200 80.1749 -81.3793 87.6137 -81.3789 -189.709 253.807 87.6132 253.807 200.868 GPRESSURE: 2728200 143.116 -58.49 58.7227 -57.4998 -41.2252 244.79 31.38 366.104 76.8681 PRESSAVG: 2728200 -13.8038 -27.899 -54.3147 -27.899 26.1598 -42.7109 -54.3147 -42.7109 -13.9463 GPRESSAVG: 2728200 -13.1563 -28.4123 -54.1755 -25.8361 25.7869 -43.1743 -54.5321 -39.5859 -14.2722 TIMING: 2728200 CPU: 8616.45, 0.00313958/step Wall: 8616.45, 0.00313958/step, 1.98125 hours remaining, 235.191406 MB of memory in use. ENERGY: 2728200 3949.4094 20408.1607 14442.4626 244.3240 -203213.1380 2695.0038 0.0000 0.0000 52100.3469 -109373.4305 299.4214 -161473.7774 -109006.3088 298.8209 30.4448 59.5862 760977.4736 -0.5301 -0.5472 LDB: ============= START OF LOAD BALANCING ============== 8628.98 LDB: ============== END OF LOAD BALANCING =============== 8628.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8628.99 LDB: ============= START OF LOAD BALANCING ============== 8629.3 LDB: Largest compute 7047 load 0.032627 is 16.7% of average load 0.195524 LDB: Average compute 0.004388 is 2.2% of average load 0.195524 LDB: TIME 8629.31 LOAD: AVG 0.195524 MAX 0.214869 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.445 MB LDB: TIME 8629.31 LOAD: AVG 0.195524 MAX 0.214869 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: TIME 8629.31 LOAD: AVG 0.195524 MAX 0.214869 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: ============== END OF LOAD BALANCING =============== 8629.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8629.31 PRESSURE: 2728400 -403.507 -106.069 -52.8328 -106.068 155.38 -165.476 -52.8319 -165.477 204.355 GPRESSURE: 2728400 -307.416 -135.384 -72.8403 -165.87 187.484 -90.8177 18.2563 -21.8667 163.148 PRESSAVG: 2728400 36.8538 -28.2226 10.8816 -28.2227 -36.9729 -2.24155 10.8817 -2.24148 29.2824 GPRESSAVG: 2728400 36.0575 -28.0511 9.64938 -28.7426 -35.8771 -2.63828 12.4709 -3.37472 29.094 TIMING: 2728400 CPU: 8617.1, 0.00323642/step Wall: 8617.1, 0.00323642/step, 2.04218 hours remaining, 235.644531 MB of memory in use. ENERGY: 2728400 4004.6979 20638.4516 14574.5619 238.1019 -203289.0322 2578.8683 0.0000 0.0000 51941.1949 -109313.1557 298.5068 -161254.3506 -108959.2226 299.1493 -14.5908 14.4055 761909.8852 9.7211 9.7581 PRESSURE: 2728600 -158.028 -139.194 58.868 -139.194 -142.669 -240.563 58.8682 -240.563 28.0088 GPRESSURE: 2728600 -7.15205 -191.556 139.218 -95.31 -177.559 -244.104 128.17 -222.862 -10.9581 PRESSAVG: 2728600 37.8584 5.51076 -49.952 5.51083 -30.0996 64.4414 -49.9519 64.4414 -8.50109 GPRESSAVG: 2728600 39.211 4.08996 -49.0585 4.95234 -31.9397 64.2917 -49.0049 64.1089 -7.84843 TIMING: 2728600 CPU: 8617.73, 0.00316061/step Wall: 8617.73, 0.00316061/step, 1.99417 hours remaining, 235.847656 MB of memory in use. ENERGY: 2728600 4019.2280 20646.3041 14490.2599 240.2305 -203468.6035 2696.4267 0.0000 0.0000 52118.9624 -109257.1919 299.5284 -161376.1543 -108894.8340 299.5266 -90.8959 -65.2230 760463.2467 -0.2475 -0.1924 PRESSURE: 2728800 -12.2277 126.224 183.678 126.225 -83.1968 -32.3232 183.679 -32.3234 -333.871 GPRESSURE: 2728800 -4.75779 102.933 175.89 125.216 25.5166 32.3949 17.4636 -1.68875 -362.906 PRESSAVG: 2728800 8.45629 -53.6701 -7.28353 -53.6702 -40.8449 51.4993 -7.28352 51.4993 1.03265 GPRESSAVG: 2728800 8.2573 -53.8088 -7.3132 -56.0635 -40.269 52.2341 -11.6431 51.0624 0.507125 TIMING: 2728800 CPU: 8618.36, 0.00314059/step Wall: 8618.36, 0.00314059/step, 1.98136 hours remaining, 235.847656 MB of memory in use. ENERGY: 2728800 4011.7333 20623.7136 14556.8677 256.0628 -203394.8668 2536.6271 0.0000 0.0000 51745.4271 -109664.4353 297.3817 -161409.8623 -109306.6024 298.8579 -143.0986 -114.0492 759311.5652 -10.4520 -10.5015 PRESSURE: 2729000 -356.457 -202.394 -134.715 -202.394 132.525 -202.962 -134.716 -202.96 -141.812 GPRESSURE: 2729000 -181.091 -207.809 -22.5918 -133.627 95.0415 -283.352 -163.152 -144.967 -193.194 PRESSAVG: 2729000 87.023 -21.703 -45.2704 -21.7029 -57.6254 6.23593 -45.2704 6.23597 22.4874 GPRESSAVG: 2729000 86.507 -20.4586 -46.8423 -21.2133 -56.8913 7.09894 -43.4492 6.3302 22.4794 TIMING: 2729000 CPU: 8618.99, 0.00315214/step Wall: 8618.99, 0.00315214/step, 1.98847 hours remaining, 235.847656 MB of memory in use. ENERGY: 2729000 3989.3474 20384.3816 14518.6057 251.2252 -203533.6431 2659.0780 0.0000 0.0000 52009.0722 -109721.9329 298.8969 -161731.0052 -109355.5060 298.6607 -121.9147 -93.0810 760208.8125 17.2950 17.3650 PRESSURE: 2729200 -133.458 -88.1342 -224.619 -88.1339 -91.7705 -158.23 -224.619 -158.23 -302.428 GPRESSURE: 2729200 -109.934 -120.264 -232.814 44.8263 -44.7608 -266.773 -152.171 27.9806 -293.111 PRESSAVG: 2729200 93.4944 28.8809 -25.9084 28.8808 -45.0943 24.5372 -25.9085 24.5373 10.7062 GPRESSAVG: 2729200 95.3361 27.8846 -24.1155 29.0738 -47.2589 23.5615 -27.7279 25.2352 11.0436 TIMING: 2729200 CPU: 8619.62, 0.00315383/step Wall: 8619.62, 0.00315383/step, 1.98937 hours remaining, 235.847656 MB of memory in use. ENERGY: 2729200 3969.7956 20477.3468 14462.9970 241.2730 -203136.4262 2331.4463 0.0000 0.0000 52049.1313 -109604.4362 299.1271 -161653.5675 -109235.0200 298.6052 -175.8858 -149.2685 761274.0229 19.7021 19.7069 PRESSURE: 2729400 -428.254 -207.975 260.283 -207.975 29.4188 76.5966 260.283 76.5971 -444.906 GPRESSURE: 2729400 -390.651 -184.477 247.906 -156.449 43.6912 65.9603 187.564 100.971 -422.9 PRESSAVG: 2729400 -12.5313 -11.2888 -40.7864 -11.2888 -40.6034 -31.328 -40.7864 -31.328 -6.59327 GPRESSAVG: 2729400 -15.5187 -8.11778 -40.1011 -10.024 -39.2569 -33.5287 -39.3779 -30.2911 -5.05111 TIMING: 2729400 CPU: 8620.25, 0.00315916/step Wall: 8620.25, 0.00315916/step, 1.99255 hours remaining, 235.847656 MB of memory in use. ENERGY: 2729400 3983.9698 20407.5185 14518.1556 253.2548 -203957.8114 3037.0419 0.0000 0.0000 51991.2014 -109766.6695 298.7941 -161757.8709 -109404.6782 297.9538 -281.2471 -256.6200 762043.2957 -19.9093 -19.9422 PRESSURE: 2729600 30.7779 130.174 204.151 130.174 -131.057 18.1849 204.152 18.1847 2.61331 GPRESSURE: 2729600 69.6136 280.274 133.448 26.6346 39.6843 23.0064 230.594 4.53523 -105.426 PRESSAVG: 2729600 -17.461 -36.7028 -87.1597 -36.7029 11.0752 -9.3798 -87.1596 -9.37977 5.23728 GPRESSAVG: 2729600 -16.3312 -37.743 -87.8733 -38.3023 11.6844 -8.31773 -85.175 -10.8149 3.64759 TIMING: 2729600 CPU: 8620.88, 0.00314942/step Wall: 8620.88, 0.00314942/step, 1.98623 hours remaining, 235.847656 MB of memory in use. ENERGY: 2729600 4000.5105 20356.7654 14465.9753 239.0092 -203417.1614 2635.7504 0.0000 0.0000 52197.1098 -109522.0408 299.9775 -161719.1506 -109151.2688 298.7824 -32.5553 1.2908 763305.2904 -0.3829 -0.3331 PRESSURE: 2729800 -16.9389 -276.785 108.048 -276.784 -170.682 -79.1825 108.048 -79.183 446.685 GPRESSURE: 2729800 40.9708 -199.409 149.019 -229.736 -158.27 -65.7156 185.262 -118.028 452.017 PRESSAVG: 2729800 12.2068 -54.1853 -61.3519 -54.1854 -27.5842 -6.75316 -61.3518 -6.7531 10.3824 GPRESSAVG: 2729800 12.2115 -52.5459 -59.6331 -53.3187 -26.577 -5.2515 -65.854 -8.87881 9.5989 TIMING: 2729800 CPU: 8621.51, 0.00314008/step Wall: 8621.51, 0.00314008/step, 1.98017 hours remaining, 235.847656 MB of memory in use. ENERGY: 2729800 4022.6206 20478.2354 14496.3334 232.4629 -203400.8029 2670.5584 0.0000 0.0000 51925.2288 -109575.3633 298.4150 -161500.5921 -109219.6440 298.2562 86.3546 111.5726 762467.9689 -1.6650 -1.5889 PRESSURE: 2730000 -191.735 179.225 -372.814 179.225 -126.681 -84.8625 -372.814 -84.8618 -86.6669 GPRESSURE: 2730000 -81.3348 154.336 -397.563 172.047 -157.563 -78.1972 -199.987 -75.3257 -98.6679 PRESSAVG: 2730000 -3.94252 38.8397 0.403806 38.8397 2.37661 9.32531 0.403745 9.32529 1.65891 GPRESSAVG: 2730000 -3.08945 37.4985 -0.419346 38.3962 0.67568 9.30908 3.10399 11.1492 2.58856 TIMING: 2730000 CPU: 8622.15, 0.00319131/step Wall: 8622.15, 0.00319131/step, 2.0123 hours remaining, 235.847656 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: 2730000 4045.7319 20521.6260 14529.0030 249.5621 -203299.6192 2498.7780 0.0000 0.0000 51918.6946 -109536.2237 298.3775 -161454.9183 -109182.5897 298.7168 -135.0279 -112.5218 761448.5986 0.0310 0.0583 PRESSURE: 2730200 -189.668 -201.107 -301.827 -201.107 -18.453 -42.2079 -301.827 -42.2077 -98.2336 GPRESSURE: 2730200 -143.343 -184.613 -257.727 -30.8403 -20.918 -36.1957 -294.416 18.2572 -52.7163 PRESSAVG: 2730200 -6.94382 -14.551 -13.8414 -14.551 20.5282 36.3509 -13.8414 36.3508 -9.76122 GPRESSAVG: 2730200 -6.61565 -16.5742 -15.1063 -14.0316 20.792 33.7635 -13.1281 38.3728 -10.3596 TIMING: 2730200 CPU: 8622.78, 0.00316759/step Wall: 8622.78, 0.00316759/step, 1.99717 hours remaining, 235.847656 MB of memory in use. ENERGY: 2730200 3886.4722 20485.9644 14439.7472 238.9231 -203618.7967 2883.5289 0.0000 0.0000 52075.1712 -109608.9897 299.2767 -161684.1609 -109234.9828 298.7705 -102.1182 -72.3259 761410.3805 1.2744 1.2723 PRESSURE: 2730400 -21.2718 -108.976 96.0854 -108.977 378.08 -50.9545 96.085 -50.9536 -62.2593 GPRESSURE: 2730400 -63.9497 -106.309 82.5661 -34.9658 465.753 15.4853 -30.6568 -43.5439 -20.5435 PRESSAVG: 2730400 -90.1876 -6.67191 -26.0422 -6.67198 47.8767 -36.5063 -26.0421 -36.5062 16.2326 GPRESSAVG: 2730400 -92.0493 -6.16559 -25.6257 -6.3705 48.7428 -34.0339 -28.0561 -37.3134 16.847 TIMING: 2730400 CPU: 8623.41, 0.00315694/step Wall: 8623.41, 0.00315694/step, 1.99027 hours remaining, 235.847656 MB of memory in use. ENERGY: 2730400 3902.0313 20307.5243 14521.6838 244.4626 -203567.7893 2805.7298 0.0000 0.0000 52016.7369 -109769.6208 298.9409 -161786.3576 -109411.7058 298.2308 98.1829 127.0866 763037.7403 -8.6928 -8.8198 PRESSURE: 2730600 -136.691 -25.5713 144.078 -25.571 42.7415 189.659 144.078 189.659 154.273 GPRESSURE: 2730600 -96.8673 106.661 148.59 28.2442 105.702 179.583 181.648 215.027 149.518 PRESSAVG: 2730600 10.8161 -28.503 -19.9834 -28.503 -24.032 -35.1993 -19.9834 -35.1994 11.1985 GPRESSAVG: 2730600 11.125 -27.5438 -21.2056 -27.8409 -24.2343 -36.6821 -18.9222 -36.4415 10.6867 TIMING: 2730600 CPU: 8624.05, 0.00317507/step Wall: 8624.05, 0.00317507/step, 2.00153 hours remaining, 235.847656 MB of memory in use. ENERGY: 2730600 3932.6682 20386.5771 14434.1039 261.8975 -203841.0446 3054.6448 0.0000 0.0000 51768.1470 -110003.0060 297.5123 -161771.1530 -109646.8991 297.2274 20.1078 52.7844 762104.2946 -0.6724 -0.8075 PRESSURE: 2730800 53.9267 145.563 128.163 145.562 -235.897 -118.601 128.163 -118.6 -315.003 GPRESSURE: 2730800 -38.8065 206.036 96.7735 86.7144 -113.046 -120.154 81.7929 -59.0139 -230.379 PRESSAVG: 2730800 32.4112 -29.6737 -6.18533 -29.6737 -32.0149 -58.0608 -6.18538 -58.0607 0.182644 GPRESSAVG: 2730800 32.6875 -30.069 -4.25775 -29.2695 -33.5633 -56.7716 -8.10222 -56.7543 1.29891 TIMING: 2730800 CPU: 8624.68, 0.00316249/step Wall: 8624.68, 0.00316249/step, 1.99342 hours remaining, 235.847656 MB of memory in use. ENERGY: 2730800 3993.0989 20342.8069 14461.1611 244.3375 -203249.7506 2519.0283 0.0000 0.0000 51915.7587 -109773.5593 298.3606 -161689.3179 -109417.3551 297.7856 -165.6578 -127.4106 761949.6542 0.1930 0.1410 PRESSURE: 2731000 26.398 81.9066 177.032 81.9067 192.693 -74.474 177.032 -74.4751 126.367 GPRESSURE: 2731000 7.5655 237.91 131.069 91.0453 233.188 -40.1086 100.158 -46.2765 179.855 PRESSAVG: 2731000 72.4026 44.8126 9.09573 44.8126 -68.1884 -14.9332 9.09578 -14.9332 -13.8657 GPRESSAVG: 2731000 71.8897 46.4823 9.7992 43.9893 -66.6631 -14.2833 8.37469 -17.6768 -14.8355 TIMING: 2731000 CPU: 8625.31, 0.0031527/step Wall: 8625.31, 0.0031527/step, 1.98708 hours remaining, 235.847656 MB of memory in use. ENERGY: 2731000 3927.7289 20379.8399 14533.6688 237.5007 -203679.9263 2840.1197 0.0000 0.0000 51905.5336 -109855.5347 298.3018 -161761.0683 -109502.7707 297.8155 115.1527 140.2031 761580.6242 -3.2172 -3.2030 PRESSURE: 2731200 11.7564 -295.022 -187.57 -295.021 48.5955 174.062 -187.57 174.061 -8.82781 GPRESSURE: 2731200 -57.8963 -550.151 -258.013 -278.102 81.7638 158.589 -214.033 73.2802 121.066 PRESSAVG: 2731200 -4.33894 24.5524 37.6889 24.5523 71.3273 14.7913 37.6889 14.7913 23.7592 GPRESSAVG: 2731200 -3.65107 22.5465 36.6716 23.6515 70.1211 13.32 40.0234 14.8351 23.9401 TIMING: 2731200 CPU: 8625.95, 0.00318283/step Wall: 8625.95, 0.00318283/step, 2.00589 hours remaining, 235.847656 MB of memory in use. ENERGY: 2731200 3995.7166 20517.4617 14556.0126 246.6489 -203379.7473 2753.0963 0.0000 0.0000 51709.5498 -109601.2615 297.1755 -161310.8113 -109250.4130 297.9501 17.1747 48.3112 761236.5585 30.2492 30.1367 PRESSURE: 2731400 -289.916 257.449 31.4131 257.45 355.05 -200.234 31.413 -200.236 -85.7793 GPRESSURE: 2731400 -232.889 157.684 28.6221 197.384 358.107 -220.934 100.804 -172.191 -77.13 PRESSAVG: 2731400 -3.12377 -43.9388 -22.0601 -43.9389 -39.3285 4.98599 -22.0601 4.98599 -14.893 GPRESSAVG: 2731400 -3.64253 -43.8028 -21.7083 -45.0175 -39.177 4.52175 -22.5256 7.21619 -14.6788 TIMING: 2731400 CPU: 8626.58, 0.00315954/step Wall: 8626.58, 0.00315954/step, 1.99103 hours remaining, 235.847656 MB of memory in use. ENERGY: 2731400 3992.9956 20718.0509 14518.4888 241.7939 -203556.9975 3051.3410 0.0000 0.0000 51663.8925 -109370.4348 296.9131 -161034.3273 -109015.1207 298.6973 -6.8818 16.0293 763021.5619 -19.1151 -19.1661 PRESSURE: 2731600 -250.475 -84.387 -53.9298 -84.3868 294.46 192.34 -53.9296 192.34 46.7557 GPRESSURE: 2731600 -222.22 -72.6753 -43.6393 -16.207 298.411 120.504 21.1985 110.253 110.306 PRESSAVG: 2731600 -6.01901 20.1959 29.9628 20.1959 17.6372 -15.7865 29.9628 -15.7865 -5.49046 GPRESSAVG: 2731600 -6.12802 21.1862 31.3648 21.7032 18.0736 -15.0318 30.0542 -15.2069 -6.03527 TIMING: 2731600 CPU: 8627.21, 0.00315756/step Wall: 8627.21, 0.00315756/step, 1.98962 hours remaining, 235.847656 MB of memory in use. ENERGY: 2731600 3977.6862 20578.5717 14516.1244 229.0886 -203635.0011 2723.0335 0.0000 0.0000 52232.7866 -109377.7101 300.1825 -161610.4967 -109010.8534 298.6524 30.2468 62.1659 762788.1317 2.0426 1.9701 PRESSURE: 2731800 -260.719 209.326 -117.458 209.327 34.9702 -148.884 -117.458 -148.884 114.868 GPRESSURE: 2731800 -137.161 89.9516 -30.8628 170.574 6.76432 -147.933 -197.919 -157.984 118.176 PRESSAVG: 2731800 22.8376 -30.079 32.7268 -30.079 -43.8718 26.0071 32.7268 26.007 25.6094 GPRESSAVG: 2731800 23.9966 -30.9564 30.8293 -29.3502 -44.5389 24.5073 32.758 27.7082 25.1429 TIMING: 2731800 CPU: 8627.84, 0.0031393/step Wall: 8627.84, 0.0031393/step, 1.97793 hours remaining, 235.847656 MB of memory in use. ENERGY: 2731800 3979.1911 20411.3577 14535.4734 246.1155 -203012.5157 2538.6155 0.0000 0.0000 52092.6908 -109209.0718 299.3774 -161301.7626 -108838.2259 299.3650 -36.9604 -4.0736 761576.7460 1.5251 1.5335 PRESSURE: 2732000 -263.767 39.3313 131.088 39.3316 -80.2066 -397.415 131.088 -397.414 62.9992 GPRESSURE: 2732000 -211.129 89.1182 156.376 101.941 -64.882 -253.268 247.014 -473.57 74.0059 PRESSAVG: 2732000 -24.0716 10.9885 8.77185 10.9886 57.6607 -27.6897 8.77191 -27.6898 4.82783 GPRESSAVG: 2732000 -24.9223 10.7806 9.29026 9.54319 57.8401 -26.2184 7.95151 -29.2759 5.65885 TIMING: 2732000 CPU: 8628.47, 0.0031506/step Wall: 8628.47, 0.0031506/step, 1.98488 hours remaining, 235.847656 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: 2732000 3979.2397 20525.2590 14484.3985 261.8683 -202970.0212 2517.0279 0.0000 0.0000 52149.9319 -109052.2959 299.7064 -161202.2278 -108694.2549 299.4206 -93.6582 -67.3349 762001.5719 12.8056 12.8589 PRESSURE: 2732200 521.68 25.1756 115.822 25.1759 111.701 161.404 115.821 161.404 298.004 GPRESSURE: 2732200 545.296 146.809 146.638 24.8916 130.361 112.267 33.4045 131.844 307.674 PRESSAVG: 2732200 63.4316 17.24 -9.06453 17.24 -98.295 2.16311 -9.0645 2.16319 -6.34616 GPRESSAVG: 2732200 63.6562 17.4314 -8.84369 19.3922 -98.1036 2.08493 -8.47494 3.30273 -7.16205 TIMING: 2732200 CPU: 8629.1, 0.00315183/step Wall: 8629.1, 0.00315183/step, 1.98548 hours remaining, 235.847656 MB of memory in use. ENERGY: 2732200 3876.9209 20637.1535 14512.3217 243.8995 -203706.6169 2942.1263 0.0000 0.0000 52324.3135 -109169.8815 300.7085 -161494.1950 -108808.0651 299.8540 310.4617 327.7770 762680.6805 -13.7365 -13.8698 LDB: ============= START OF LOAD BALANCING ============== 8641.63 LDB: ============== END OF LOAD BALANCING =============== 8641.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8641.63 LDB: ============= START OF LOAD BALANCING ============== 8641.95 LDB: Largest compute 7026 load 0.033523 is 17.1% of average load 0.195488 LDB: Average compute 0.004393 is 2.2% of average load 0.195488 LDB: TIME 8641.96 LOAD: AVG 0.195488 MAX 0.21278 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 8641.96 LOAD: AVG 0.195488 MAX 0.21278 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: TIME 8641.96 LOAD: AVG 0.195488 MAX 0.21278 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.566 MB LDB: ============== END OF LOAD BALANCING =============== 8641.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8641.96 PRESSURE: 2732400 -141.662 -81.5205 11.5799 -81.5204 254.819 47.626 11.5798 47.6266 114.662 GPRESSURE: 2732400 -89.878 34.1158 -81.7351 -2.45342 298.428 29.2413 50.9546 -49.4757 115.234 PRESSAVG: 2732400 24.7763 -34.6239 -55.9347 -34.6239 -24.1697 8.2826 -55.9347 8.28272 3.73932 GPRESSAVG: 2732400 24.4418 -34.4186 -54.7974 -35.3733 -24.6344 6.8271 -57.754 5.24992 4.32908 TIMING: 2732400 CPU: 8629.75, 0.00325048/step Wall: 8629.75, 0.00325047/step, 2.04744 hours remaining, 234.875000 MB of memory in use. ENERGY: 2732400 3979.4741 20539.3570 14518.0690 253.1196 -203689.6243 2857.1514 0.0000 0.0000 52200.9576 -109341.4957 299.9996 -161542.4533 -108974.4035 299.6251 75.9398 107.9278 762819.5555 1.4486 1.3788 PRESSURE: 2732600 242.318 -163.755 78.1878 -163.754 175.709 177.589 78.1875 177.59 420.029 GPRESSURE: 2732600 285.202 -248.546 121.457 -166.246 179.878 113.469 177.089 213.811 462.03 PRESSAVG: 2732600 16.2584 -3.27365 10.2927 -3.27363 20.1874 6.47709 10.2927 6.47701 0.219207 GPRESSAVG: 2732600 15.2348 -3.81081 9.4113 -1.839 20.7117 7.38263 10.6517 8.46087 0.568772 TIMING: 2732600 CPU: 8630.38, 0.0031578/step Wall: 8630.38, 0.0031578/step, 1.98889 hours remaining, 234.875000 MB of memory in use. ENERGY: 2732600 3974.3076 20733.2354 14510.1934 242.9983 -203680.4141 2756.9699 0.0000 0.0000 51974.7733 -109487.9361 298.6997 -161462.7094 -109128.5030 299.3798 279.3522 309.0365 761488.0093 12.2217 12.1718 PRESSURE: 2732800 -95.0439 59.037 220.238 59.037 49.8302 209.69 220.238 209.691 426.198 GPRESSURE: 2732800 -72.8671 104.488 182.228 92.8716 108.784 233.317 147.202 285.558 410.726 PRESSAVG: 2732800 47.8133 -21.2688 16.1338 -21.2688 -11.8188 10.6328 16.1338 10.6327 6.30723 GPRESSAVG: 2732800 47.8551 -20.3724 14.7073 -25.5193 -12.206 9.69106 17.8802 10.587 6.4456 TIMING: 2732800 CPU: 8631.01, 0.00314752/step Wall: 8631.01, 0.00314752/step, 1.98224 hours remaining, 235.167969 MB of memory in use. ENERGY: 2732800 4120.4459 20534.4080 14487.1178 267.1358 -203507.1903 2773.5764 0.0000 0.0000 51948.6160 -109375.8905 298.5494 -161324.5065 -109016.6467 299.5013 126.9948 148.8809 762314.0785 14.1006 14.0316 PRESSURE: 2733000 -95.1434 63.7547 14.2658 63.7551 -257.874 174.472 14.2662 174.472 -191.741 GPRESSURE: 2733000 -117.593 172.226 34.3517 124.881 -155.638 162.934 104.253 97.25 -179.634 PRESSAVG: 2733000 19.2461 14.6008 -24.6637 14.6008 -8.56289 46.2221 -24.6637 46.222 11.0128 GPRESSAVG: 2733000 19.353 15.1734 -22.2979 16.774 -8.53079 47.972 -28.6556 46.3126 11.1926 TIMING: 2733000 CPU: 8631.64, 0.00315234/step Wall: 8631.64, 0.00315234/step, 1.9851 hours remaining, 235.167969 MB of memory in use. ENERGY: 2733000 4002.6403 20499.9263 14368.9955 235.8092 -202985.0674 2304.3724 0.0000 0.0000 52079.6406 -109493.6831 299.3024 -161573.3237 -109131.3273 298.9051 -181.5861 -150.9550 761904.7388 7.2320 7.3383 PRESSURE: 2733200 30.4427 63.952 -93.985 63.9509 -237.809 59.1463 -93.9845 59.1466 -381.646 GPRESSURE: 2733200 -24.2519 -44.158 -155.771 52.7756 -146.765 -65.9847 -79.0025 53.5482 -336.436 PRESSAVG: 2733200 -3.20402 -24.082 -77.8753 -24.0819 -37.5606 30.5514 -77.8753 30.5513 27.8072 GPRESSAVG: 2733200 -3.10413 -23.6244 -76.9596 -25.0153 -36.3806 30.0672 -76.9639 28.7829 26.6627 TIMING: 2733200 CPU: 8632.27, 0.00314499/step Wall: 8632.27, 0.00314499/step, 1.98029 hours remaining, 235.167969 MB of memory in use. ENERGY: 2733200 4040.0674 20513.1194 14450.3348 232.0016 -203479.1270 2486.2381 0.0000 0.0000 52190.6371 -109566.7285 299.9403 -161757.3657 -109206.4852 298.5714 -196.3375 -169.1508 761632.6052 -4.3191 -4.2740 PRESSURE: 2733400 -43.708 -50.6245 -38.3398 -50.6251 -116.126 -181.795 -38.3398 -181.794 -130.943 GPRESSURE: 2733400 -47.995 -49.2563 21.5909 -21.5911 -96.7981 -136.191 -69.3501 -180.389 -31.8249 PRESSAVG: 2733400 1.23727 -15.9131 -9.3315 -15.9131 -6.65449 28.5569 -9.33148 28.557 -4.71177 GPRESSAVG: 2733400 -0.0119883 -18.9827 -10.4668 -15.2005 -6.55853 28.0033 -6.29909 32.1216 -3.75697 TIMING: 2733400 CPU: 8632.9, 0.00315727/step Wall: 8632.9, 0.00315727/step, 1.98785 hours remaining, 235.167969 MB of memory in use. ENERGY: 2733400 4002.5674 20423.6510 14414.1458 243.9233 -202936.0121 2331.7067 0.0000 0.0000 51990.9620 -109529.0559 298.7928 -161520.0179 -109152.8504 298.9418 -96.9255 -58.8727 762851.6043 -3.3763 -3.4425 PRESSURE: 2733600 29.1696 86.1337 -304.464 86.1344 -288.948 205.948 -304.465 205.948 -680.947 GPRESSURE: 2733600 27.5533 174.064 -249.791 59.3441 -233.389 208.321 -271.473 240.209 -649.584 PRESSAVG: 2733600 40.3777 -20.8598 73.0977 -20.8598 -11.2145 -35.9457 73.0977 -35.9457 -1.63014 GPRESSAVG: 2733600 41.7014 -19.3041 71.5634 -20.1023 -13.102 -37.0466 71.315 -36.3975 -1.02334 TIMING: 2733600 CPU: 8633.53, 0.00315016/step Wall: 8633.53, 0.00315016/step, 1.9832 hours remaining, 235.167969 MB of memory in use. ENERGY: 2733600 3955.1673 20570.0307 14409.3839 248.6190 -203240.1125 2512.7527 0.0000 0.0000 51719.3077 -109824.8510 297.2316 -161544.1588 -109470.6054 298.3097 -313.5749 -285.1400 760511.1573 9.1777 9.1920 PRESSURE: 2733800 187.974 -228.628 -156.851 -228.628 -16.8038 86.026 -156.85 86.0262 -187 GPRESSURE: 2733800 117.966 -190.217 -205.321 -74.4849 103.71 9.28443 -12.4984 -6.67863 -157.352 PRESSAVG: 2733800 34.5605 0.54695 -22.1081 0.546959 -38.3776 14.5962 -22.1081 14.5962 -22.4428 GPRESSAVG: 2733800 33.3309 -0.235926 -22.0589 -0.078215 -37.0733 17.056 -22.915 13.5895 -23.0333 TIMING: 2733800 CPU: 8634.16, 0.00314456/step Wall: 8634.16, 0.00314456/step, 1.9795 hours remaining, 235.167969 MB of memory in use. ENERGY: 2733800 3988.6860 20330.7688 14462.1179 248.9289 -203639.9343 2843.3844 0.0000 0.0000 51987.7097 -109778.3384 298.7741 -161766.0482 -109419.2668 298.1639 -5.2766 21.4413 761240.0688 -8.7533 -8.9252 PRESSURE: 2734000 114.547 -177.344 -175.787 -177.344 -199.104 186.285 -175.788 186.286 -153.451 GPRESSURE: 2734000 60.4307 -179.208 -94.0817 -103.096 -115.812 276.114 -80.0039 179.659 -99.4468 PRESSAVG: 2734000 -66.8874 -49.207 23.6833 -49.207 69.9863 14.7093 23.6832 14.7092 9.42872 GPRESSAVG: 2734000 -65.8211 -48.57 23.9335 -48.7019 69.29 15.6428 26.0698 14.4088 9.941 TIMING: 2734000 CPU: 8634.79, 0.0031575/step Wall: 8634.79, 0.0031575/step, 1.98747 hours remaining, 235.167969 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: 2734000 3945.8434 20242.6457 14505.6791 257.8922 -203208.6025 2481.8377 0.0000 0.0000 52068.1939 -109706.5105 299.2366 -161774.7044 -109331.0917 298.1673 -79.3362 -51.6094 762230.3041 4.1759 4.4700 PRESSURE: 2734200 313.561 -257.138 40.2685 -257.138 -96.2185 62.8639 40.2688 62.8636 70.1223 GPRESSURE: 2734200 217.583 -94.5367 42.6156 -272.43 -0.580369 -1.18009 -56.4118 122.637 151.201 PRESSAVG: 2734200 45.4767 -8.65073 27.4168 -8.65068 -63.4776 55.6343 27.4169 55.6343 1.06149 GPRESSAVG: 2734200 45.9706 -7.658 27.5806 -8.84668 -63.6015 54.8779 27.4268 56.3452 0.140436 TIMING: 2734200 CPU: 8635.42, 0.00315342/step Wall: 8635.42, 0.00315342/step, 1.98473 hours remaining, 235.167969 MB of memory in use. ENERGY: 2734200 3950.4517 20398.5936 14492.5984 251.4261 -203642.2100 2731.8755 0.0000 0.0000 52263.8374 -109553.4273 300.3610 -161817.2648 -109200.1031 298.3423 95.8215 122.7345 759967.8936 -5.6465 -5.8301 PRESSURE: 2734400 87.6927 241.03 -184.636 241.03 345.443 25.1691 -184.635 25.1682 -517.262 GPRESSURE: 2734400 144.863 30.7393 -153.293 215.735 322.239 37.7948 -72.2594 37.3452 -456.836 PRESSAVG: 2734400 -15.5591 14.6278 26.4244 14.6279 -15.2117 53.7333 26.4244 53.7334 -6.59186 GPRESSAVG: 2734400 -15.4729 12.737 25.4787 14.4223 -14.3183 53.6946 23.4745 54.1103 -6.95929 TIMING: 2734400 CPU: 8636.05, 0.00314892/step Wall: 8636.05, 0.00314892/step, 1.98172 hours remaining, 235.371094 MB of memory in use. ENERGY: 2734400 3953.1799 20428.3969 14538.2471 262.9818 -203668.8575 2806.3590 0.0000 0.0000 52122.1403 -109557.5526 299.5467 -161679.6929 -109177.3915 299.2959 -28.0420 3.4220 760600.5768 -12.4542 -12.2501 PRESSURE: 2734600 134.9 -158.22 -66.0088 -158.219 374.171 145.439 -66.0086 145.439 -361.124 GPRESSURE: 2734600 160.652 -91.9607 -142.793 -186.388 312.762 170.463 31.784 152.201 -246.906 PRESSAVG: 2734600 2.70929 9.70387 -18.5895 9.70392 11.5916 42.5077 -18.5895 42.5077 15.317 GPRESSAVG: 2734600 0.814043 11.2753 -18.1247 8.70046 11.5536 42.0187 -16.6959 42.5781 16.5718 TIMING: 2734600 CPU: 8636.68, 0.00315345/step Wall: 8636.68, 0.00315345/step, 1.98439 hours remaining, 235.371094 MB of memory in use. ENERGY: 2734600 3987.2895 20552.8534 14545.7148 260.7757 -202979.4360 2351.8954 0.0000 0.0000 51767.7081 -109513.1991 297.5097 -161280.9072 -109155.2395 298.8435 49.3154 75.5027 759896.0026 9.8726 9.6465 PRESSURE: 2734800 173.847 -78.0037 -20.534 -78.0047 170.933 -192.264 -20.5353 -192.264 -177.661 GPRESSURE: 2734800 226.163 44.8929 -49.2766 -26.0787 187.8 -115.273 44.928 -158.771 -147.315 PRESSAVG: 2734800 2.70089 -15.9725 -35.6767 -15.9725 14.1037 5.6744 -35.6768 5.67438 -2.32054 GPRESSAVG: 2734800 3.95253 -16.4087 -35.8406 -13.972 14.121 4.85706 -36.4671 6.45572 -4.24616 TIMING: 2734800 CPU: 8637.31, 0.00315476/step Wall: 8637.31, 0.00315476/step, 1.98504 hours remaining, 235.371094 MB of memory in use. ENERGY: 2734800 4003.6830 20605.0238 14527.9976 244.4524 -203345.4107 2612.6738 0.0000 0.0000 52002.3760 -109349.2041 298.8584 -161351.5801 -108990.2955 299.4792 55.7061 88.8823 759588.4705 4.8280 4.6091 PRESSURE: 2735000 -130.181 194.329 71.6337 194.329 5.75307 -140.755 71.634 -140.756 -112.381 GPRESSURE: 2735000 -26.3642 132.745 3.02016 150.814 52.9524 -27.5994 115.3 -77.126 -184.812 PRESSAVG: 2735000 15.3918 -1.69778 9.42621 -1.69782 -28.5659 54.7122 9.42626 54.7122 4.92892 GPRESSAVG: 2735000 15.3883 -1.06029 10.615 -4.55016 -28.4635 54.9452 8.28992 55.5028 5.59204 TIMING: 2735000 CPU: 8637.94, 0.00314559/step Wall: 8637.94, 0.00314559/step, 1.9791 hours remaining, 235.371094 MB of memory in use. ENERGY: 2735000 4029.9784 20548.7284 14509.0428 264.6969 -202890.7027 2219.8877 0.0000 0.0000 51825.5124 -109492.8561 297.8419 -161318.3685 -109130.9934 299.3176 -78.9362 -52.7412 762402.2269 -2.7484 -2.4944 PRESSURE: 2735200 -11.7252 57.2127 -77.531 57.2135 -388.237 327.563 -77.5312 327.562 -237.502 GPRESSURE: 2735200 35.2844 -3.67011 -120.402 10.458 -356.042 294.356 -29.5247 275.036 -233.772 PRESSAVG: 2735200 9.60981 28.8995 -6.65123 28.8995 -8.9782 20.8999 -6.65123 20.9 -15.496 GPRESSAVG: 2735200 8.99281 26.8834 -6.23923 32.7305 -10.1054 21.9907 -6.28164 18.7965 -14.1262 TIMING: 2735200 CPU: 8638.57, 0.00315292/step Wall: 8638.57, 0.00315292/step, 1.98354 hours remaining, 235.371094 MB of memory in use. ENERGY: 2735200 3955.2264 20603.2002 14499.0854 255.1723 -203268.8024 2273.7014 0.0000 0.0000 52401.9245 -109280.4922 301.1546 -161682.4167 -108904.6786 299.4331 -212.4881 -184.8431 761988.1305 -4.9548 -5.0796 PRESSURE: 2735400 67.3894 -84.5485 -49.9784 -84.5476 -183.989 30.1356 -49.9791 30.1354 -81.3157 GPRESSURE: 2735400 72.6825 -85.5002 -79.0361 -28.1098 -220.143 48.8695 95.2347 35.5383 13.9286 PRESSAVG: 2735400 -0.645415 -28.0291 27.5026 -28.029 -31.2522 19.3061 27.5026 19.3061 2.75034 GPRESSAVG: 2735400 0.678802 -26.3349 25.2639 -28.8465 -31.3901 19.8037 28.8853 19.1674 1.52946 TIMING: 2735400 CPU: 8639.2, 0.00314039/step Wall: 8639.2, 0.00314039/step, 1.97548 hours remaining, 235.371094 MB of memory in use. ENERGY: 2735400 3921.6898 20511.3785 14489.4107 256.8611 -203462.0480 2594.5856 0.0000 0.0000 52168.2722 -109519.8502 299.8118 -161688.1224 -109160.4029 299.4294 -65.9719 -44.5107 760440.9528 -9.7157 -9.7273 PRESSURE: 2735600 59.2988 -68.0361 294.053 -68.0364 160.987 -94.0662 294.053 -94.066 71.2448 GPRESSURE: 2735600 129.166 -113.167 180.687 -95.406 188.074 -37.839 287.985 -67.1464 56.3996 PRESSAVG: 2735600 44.9481 -8.29796 -14.1394 -8.29802 -24.486 -10.0139 -14.1394 -10.0138 9.26635 GPRESSAVG: 2735600 45.4268 -10.2656 -12.4926 -7.81634 -24.0824 -9.47545 -15.4182 -9.93554 8.19729 TIMING: 2735600 CPU: 8639.83, 0.00315967/step Wall: 8639.83, 0.00315967/step, 1.98743 hours remaining, 235.371094 MB of memory in use. ENERGY: 2735600 3992.7655 20586.4662 14433.8972 270.6864 -203657.7517 2837.2113 0.0000 0.0000 52230.4528 -109306.2723 300.1691 -161536.7252 -108948.5877 299.3742 97.1770 124.5466 761109.2206 9.9095 9.8472 PRESSURE: 2735800 87.1728 -74.1274 -261.644 -74.1282 -164.483 -32.3617 -261.644 -32.3622 0.181597 GPRESSURE: 2735800 144.621 -38.7612 -376.06 -2.6029 -157.463 -22.7919 -149.774 -8.74229 42.0295 PRESSAVG: 2735800 -10.5287 -40.2904 29.0175 -40.2904 18.3234 0.750758 29.0174 0.750754 -28.5387 GPRESSAVG: 2735800 -12.0195 -38.6673 27.6404 -40.7793 17.9848 -0.252501 29.587 0.454958 -25.9753 TIMING: 2735800 CPU: 8640.46, 0.00315864/step Wall: 8640.46, 0.00315864/step, 1.98661 hours remaining, 235.371094 MB of memory in use. ENERGY: 2735800 4012.0614 20509.0699 14466.7707 238.1858 -202862.3055 2299.2379 0.0000 0.0000 52026.6401 -109310.3398 298.9978 -161336.9799 -108940.8835 299.2546 -25.7095 9.7292 762030.3998 -6.9147 -6.6700 PRESSURE: 2736000 -174.715 162.646 266.722 162.646 -118.066 -90.9936 266.722 -90.9954 -75.0118 GPRESSURE: 2736000 -48.284 98.5249 218.254 32.8991 -115.736 -146.525 329.35 -166.198 -126.551 PRESSAVG: 2736000 65.3081 22.4339 -25.7214 22.4339 -58.1039 -16.9685 -25.7214 -16.9684 13.986 GPRESSAVG: 2736000 65.6109 22.7106 -25.7626 21.9192 -56.974 -15.9717 -27.2901 -17.472 12.1907 TIMING: 2736000 CPU: 8641.1, 0.00315782/step Wall: 8641.1, 0.00315782/step, 1.98592 hours remaining, 235.371094 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: 2736000 4066.7800 20591.8336 14493.8411 258.6728 -203212.4105 2636.7752 0.0000 0.0000 51803.4188 -109361.0890 297.7150 -161164.5078 -109012.4996 298.9350 -122.5973 -96.8571 762953.9675 7.0634 6.9425 PRESSURE: 2736200 -183.971 -168.144 114.044 -168.146 -109.344 54.7629 114.044 54.763 99.932 GPRESSURE: 2736200 -179.014 -86.1256 118.96 -81.7065 -57.2968 56.9258 58.967 109.528 122.416 PRESSAVG: 2736200 -15.2152 14.2378 33.325 14.2378 -48.2197 -12.6029 33.325 -12.6029 -6.99738 GPRESSAVG: 2736200 -14.0128 12.4793 33.9257 14.9048 -49.6542 -13.0362 33.0272 -11.5608 -6.77023 TIMING: 2736200 CPU: 8641.72, 0.00314029/step Wall: 8641.72, 0.00314029/step, 1.97472 hours remaining, 235.371094 MB of memory in use. ENERGY: 2736200 3961.6397 20582.6722 14519.1744 232.6209 -203095.7736 2446.7566 0.0000 0.0000 51794.9486 -109557.9613 297.6663 -161352.9099 -109203.4272 298.8635 -64.4608 -37.9648 761415.5612 -23.4774 -23.4791 LDB: ============= START OF LOAD BALANCING ============== 8654.26 LDB: ============== END OF LOAD BALANCING =============== 8654.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8654.26 LDB: ============= START OF LOAD BALANCING ============== 8654.57 LDB: Largest compute 7026 load 0.030772 is 15.7% of average load 0.195506 LDB: Average compute 0.004386 is 2.2% of average load 0.195506 LDB: TIME 8654.58 LOAD: AVG 0.195506 MAX 0.216018 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.863 MB LDB: TIME 8654.58 LOAD: AVG 0.195506 MAX 0.216018 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.863 MB LDB: TIME 8654.58 LOAD: AVG 0.195506 MAX 0.216018 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.863 MB LDB: ============== END OF LOAD BALANCING =============== 8654.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8654.58 PRESSURE: 2736400 22.7651 39.968 14.0859 39.9691 -174.773 -104.52 14.086 -104.521 -46.1489 GPRESSURE: 2736400 -35.2771 -45.8924 -19.6437 182.552 -110.914 -149.733 27.0495 -108.167 19.5558 PRESSAVG: 2736400 30.2952 -60.2133 48.3731 -60.2133 -40.2194 41.5252 48.3731 41.5252 -8.61875 GPRESSAVG: 2736400 30.0064 -58.9822 49.0478 -62.3341 -40.3125 41.079 51.2087 40.7269 -8.12222 TIMING: 2736400 CPU: 8642.37, 0.00321092/step Wall: 8642.37, 0.00321092/step, 2.01895 hours remaining, 233.851562 MB of memory in use. ENERGY: 2736400 3974.1459 20474.4720 14470.0117 245.7383 -203514.5722 2536.9078 0.0000 0.0000 52309.8641 -109503.4324 300.6255 -161813.2965 -109132.9309 298.4437 -66.0522 -42.2119 761404.1510 -6.1810 -6.1428 PRESSURE: 2736600 318.797 -165.04 98.1181 -165.04 127.362 171.338 98.1185 171.34 195.189 GPRESSURE: 2736600 369.89 -139.173 25.2414 -161.597 227.899 158.863 133.649 277.026 126.838 PRESSAVG: 2736600 7.93507 -11.6775 17.8365 -11.6774 4.07021 22.592 17.8365 22.592 20.8274 GPRESSAVG: 2736600 6.46025 -12.4832 16.3508 -10.9197 5.83959 22.109 15.284 25.0947 20.5309 TIMING: 2736600 CPU: 8643, 0.00315918/step Wall: 8643, 0.00315918/step, 1.98625 hours remaining, 233.851562 MB of memory in use. ENERGY: 2736600 3953.6442 20452.5922 14575.9423 240.6493 -203525.6473 2784.6314 0.0000 0.0000 52015.6637 -109502.5243 298.9347 -161518.1880 -109128.1030 298.9679 213.7829 241.5422 761718.4262 10.9442 10.9436 PRESSURE: 2736800 -129.287 -71.3529 229.576 -71.3528 155.858 250.084 229.575 250.084 -95.4331 GPRESSURE: 2736800 -46.031 54.2868 201.228 -65.8042 127.398 204.955 144.691 326.593 -75.9832 PRESSAVG: 2736800 4.17341 -26.7681 34.3187 -26.768 -20.1559 41.7304 34.3187 41.7304 -6.59702 GPRESSAVG: 2736800 5.4573 -26.3108 35.5339 -24.2851 -21.2499 41.2306 34.0952 39.7224 -6.05728 TIMING: 2736800 CPU: 8643.63, 0.00314667/step Wall: 8643.63, 0.00314667/step, 1.97821 hours remaining, 233.855469 MB of memory in use. ENERGY: 2736800 4000.9793 20462.9851 14506.7272 256.1034 -203722.6658 2715.9327 0.0000 0.0000 52127.1457 -109652.7923 299.5754 -161779.9380 -109294.5378 298.5202 -22.9540 1.7947 761335.5142 -7.5265 -7.2833 PRESSURE: 2737000 167.716 -99.258 111.136 -99.2584 11.5232 -194.759 111.136 -194.759 -344.652 GPRESSURE: 2737000 217.168 82.0459 100.15 -99.1021 41.1342 -269.63 221.565 -76.3895 -349.817 PRESSAVG: 2737000 -6.06666 -3.67775 54.7231 -3.67771 20.2231 5.88113 54.7231 5.88105 -21.5806 GPRESSAVG: 2737000 -6.93991 -5.33394 54.6392 -3.91596 19.8181 6.22919 56.606 5.88789 -19.9977 TIMING: 2737000 CPU: 8644.26, 0.00314651/step Wall: 8644.26, 0.00314651/step, 1.97793 hours remaining, 233.855469 MB of memory in use. ENERGY: 2737000 3968.8656 20511.7014 14573.5408 255.9319 -203537.8711 2767.6720 0.0000 0.0000 51773.2914 -109686.8680 297.5418 -161460.1594 -109332.0623 298.8959 -55.1377 -30.5049 761887.9320 -2.4747 -2.3732 PRESSURE: 2737200 -163.998 -63.9664 108.83 -63.9658 275.4 148.78 108.83 148.779 -239.579 GPRESSURE: 2737200 -84.2385 -175.597 151.963 -33.3949 303.883 156.54 114.432 224.956 -272.961 PRESSAVG: 2737200 37.7465 9.29753 41.0007 9.29751 -56.8343 -20.5518 41.0007 -20.5519 3.59881 GPRESSAVG: 2737200 37.9579 9.13516 40.8108 9.41252 -56.0674 -20.8055 40.6206 -17.8544 2.48492 TIMING: 2737200 CPU: 8644.89, 0.00315489/step Wall: 8644.89, 0.00315489/step, 1.98303 hours remaining, 233.855469 MB of memory in use. ENERGY: 2737200 3927.0020 20376.5566 14475.9990 236.2675 -203629.2571 2836.1978 0.0000 0.0000 52020.6229 -109756.6114 298.9632 -161777.2343 -109396.1146 298.1734 -42.7257 -17.7721 760785.5168 -5.1630 -5.2082 PRESSURE: 2737400 86.0194 -16.7998 226.31 -16.7999 -126.365 84.7217 226.31 84.7226 -332.01 GPRESSURE: 2737400 242.775 85.076 267.799 80.602 -155.164 115.636 113.373 -11.6244 -354.474 PRESSAVG: 2737400 41.9345 -17.2331 16.7875 -17.2331 -22.5717 53.0999 16.7875 53.0998 -6.73961 GPRESSAVG: 2737400 42.4536 -16.8097 17.8324 -17.5246 -23.6253 54.6092 15.6826 52.0404 -6.1827 TIMING: 2737400 CPU: 8645.52, 0.00314587/step Wall: 8645.52, 0.00314587/step, 1.97718 hours remaining, 233.855469 MB of memory in use. ENERGY: 2737400 4098.8062 20372.2735 14500.3451 232.0609 -203521.5788 2734.9971 0.0000 0.0000 51886.8044 -109696.2916 298.1942 -161583.0960 -109340.0139 298.6560 -124.1187 -88.9546 761442.1656 4.2077 4.2152 PRESSURE: 2737600 -210.144 33.6476 209.877 33.6484 -51.3952 85.4436 209.879 85.4435 180.955 GPRESSURE: 2737600 -196.039 18.448 253.98 55.141 21.3434 75.498 103.439 20.8913 195.95 PRESSAVG: 2737600 30.3898 -15.5035 31.3384 -15.5035 -76.837 8.89675 31.3384 8.89668 3.68701 GPRESSAVG: 2737600 31.3075 -14.6774 29.9478 -16.7505 -76.1577 7.12601 30.642 8.72283 1.88556 TIMING: 2737600 CPU: 8646.15, 0.00315742/step Wall: 8646.15, 0.00315742/step, 1.98426 hours remaining, 233.855469 MB of memory in use. ENERGY: 2737600 4025.3872 20471.2866 14514.6453 241.5472 -203360.1490 2672.6134 0.0000 0.0000 51866.2593 -109568.4100 298.0761 -161434.6694 -109217.8754 298.6600 -26.8615 7.0848 759811.8583 -14.2534 -14.3215 PRESSURE: 2737800 -226.662 -85.7419 -120.093 -85.7415 -138.375 111.795 -120.092 111.795 17.6976 GPRESSURE: 2737800 -249.007 -217.855 -186.752 -15.3706 -117.642 5.66915 -161.927 201.364 91.7161 PRESSAVG: 2737800 33.051 4.09489 -0.346775 4.09487 5.28659 0.555776 -0.346826 0.555716 -15.8285 GPRESSAVG: 2737800 32.5116 2.05142 0.676353 6.20493 4.8842 0.751952 -0.349372 -1.4602 -14.224 TIMING: 2737800 CPU: 8646.78, 0.00315774/step Wall: 8646.78, 0.00315774/step, 1.98429 hours remaining, 233.855469 MB of memory in use. ENERGY: 2737800 4003.2113 20467.2881 14605.4326 256.1768 -203180.7419 2376.8188 0.0000 0.0000 51882.7042 -109589.1102 298.1706 -161471.8144 -109218.2881 298.7568 -115.7798 -91.6443 761086.0568 7.5030 7.7239 PRESSURE: 2738000 -94.2477 -31.637 -77.9812 -31.6364 -193.855 -84.9218 -77.9804 -84.9218 -136.942 GPRESSURE: 2738000 -29.5796 67.2254 -103.785 -51.1083 -181.334 -93.9488 -103.109 -17.5333 -135.339 PRESSAVG: 2738000 -34.7477 40.3744 4.50718 40.3744 -35.0452 52.7572 4.50719 52.7571 13.7919 GPRESSAVG: 2738000 -35.7099 42.3017 4.11163 39.3932 -34.1113 52.8826 5.33551 52.7033 13.892 TIMING: 2738000 CPU: 8647.41, 0.00315389/step Wall: 8647.41, 0.00315389/step, 1.98169 hours remaining, 233.855469 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: 2738000 4024.5184 20252.6898 14525.2353 257.8106 -203224.2061 2387.3766 0.0000 0.0000 52152.3919 -109624.1833 299.7205 -161776.5753 -109256.8619 299.0018 -141.6817 -115.4175 761998.9334 -18.6670 -18.6431 PRESSURE: 2738200 97.9 -227.144 -42.7072 -227.144 -100.473 16.9453 -42.7067 16.9453 255.407 GPRESSURE: 2738200 35.0898 -138.289 -70.4588 -133.352 -56.6077 52.651 -23.7981 118.172 346.054 PRESSAVG: 2738200 -34.8018 -19.2579 28.3738 -19.2579 22.2341 -32.2474 28.3739 -32.2474 5.6237 GPRESSAVG: 2738200 -33.9252 -18.6262 29.5237 -18.895 21.5253 -31.0511 29.048 -29.767 5.52352 TIMING: 2738200 CPU: 8648.04, 0.0031588/step Wall: 8648.04, 0.0031588/step, 1.9846 hours remaining, 233.855469 MB of memory in use. ENERGY: 2738200 3955.1317 20299.6035 14538.3012 231.9558 -203259.9797 2655.9769 0.0000 0.0000 52162.2560 -109416.7547 299.7772 -161579.0107 -109061.0120 298.8453 84.2782 108.1788 760767.5175 -2.3147 -2.2921 PRESSURE: 2738400 29.062 -87.31 -138.104 -87.3106 116.729 -98.0597 -138.105 -98.06 148.717 GPRESSURE: 2738400 -13.8402 -88.6859 -66.9128 -134.87 154.937 -136.211 -112.303 -36.6326 235.138 PRESSAVG: 2738400 43.512 -1.29255 18.7693 -1.29258 3.77663 -4.27197 18.7693 -4.27199 -8.08706 GPRESSAVG: 2738400 42.7198 -3.01765 20.0339 -2.15381 5.19843 -5.94965 17.5772 -5.84716 -8.64296 TIMING: 2738400 CPU: 8648.67, 0.00316077/step Wall: 8648.67, 0.00316077/step, 1.98566 hours remaining, 233.855469 MB of memory in use. ENERGY: 2738400 3896.7511 20484.7897 14546.8440 234.5082 -203314.5138 2552.8369 0.0000 0.0000 52075.3781 -109523.4058 299.2779 -161598.7839 -109161.3985 298.9312 98.1692 125.4116 760145.1399 13.0672 13.0918 PRESSURE: 2738600 197.969 38.4086 -58.7352 38.4092 -384.144 -62.8563 -58.7352 -62.8559 702.192 GPRESSURE: 2738600 238.008 -33.2614 -147.624 58.4356 -269.222 -50.4762 29.1388 -151.931 608.981 PRESSAVG: 2738600 -26.6826 -13.6615 28.5683 -13.6615 8.91208 1.47041 28.5683 1.47044 14.9474 GPRESSAVG: 2738600 -26.0015 -11.9687 26.0232 -12.8211 7.67958 2.62672 30.459 2.36813 15.2884 TIMING: 2738600 CPU: 8649.3, 0.00315049/step Wall: 8649.3, 0.00315049/step, 1.97903 hours remaining, 233.855469 MB of memory in use. ENERGY: 2738600 4012.8098 20498.5574 14469.4173 231.6122 -203320.5055 2683.4066 0.0000 0.0000 52126.0104 -109298.6919 299.5689 -161424.7023 -108939.0566 299.2147 172.0059 192.5891 760782.6212 -0.9410 -1.0112 PRESSURE: 2738800 -115.136 119.949 43.1256 119.948 139.872 -11.5801 43.125 -11.5802 -437.654 GPRESSURE: 2738800 -63.7872 41.9756 -29.8479 171.065 113.906 -2.42727 -95.2862 98.2757 -371.233 PRESSAVG: 2738800 -4.50818 -5.93438 -8.47501 -5.93434 42.5926 17.3748 -8.47499 17.3748 -33.7413 GPRESSAVG: 2738800 -5.02726 -6.72942 -8.90629 -5.60558 42.2445 17.5847 -9.60651 15.875 -33.6057 TIMING: 2738800 CPU: 8649.94, 0.00316256/step Wall: 8649.94, 0.00316256/step, 1.98644 hours remaining, 233.855469 MB of memory in use. ENERGY: 2738800 4024.9145 20491.4880 14543.5284 223.3249 -203036.2146 2478.9066 0.0000 0.0000 51925.4387 -109348.6137 298.4162 -161274.0524 -108982.7579 299.3901 -137.6393 -107.0382 760952.6566 1.4477 1.2039 PRESSURE: 2739000 -459.76 303.251 -166.631 303.251 18.8056 100.585 -166.63 100.586 -216.101 GPRESSURE: 2739000 -382.044 263.336 -80.5148 186.124 45.2172 142.138 2.77678 108.538 -225.207 PRESSAVG: 2739000 -23.0829 -2.43458 -7.84262 -2.43449 63.0436 -1.63423 -7.84267 -1.6342 6.89214 GPRESSAVG: 2739000 -24.8982 -2.13623 -7.90601 -4.88229 63.4414 -1.29333 -7.59355 -4.76094 8.08669 TIMING: 2739000 CPU: 8650.57, 0.00315276/step Wall: 8650.57, 0.00315276/step, 1.98011 hours remaining, 233.855469 MB of memory in use. ENERGY: 2739000 4007.6824 20478.0935 14482.5403 227.0140 -202764.7568 2145.1923 0.0000 0.0000 52081.6965 -109342.5378 299.3142 -161424.2343 -108985.0564 299.5104 -219.0185 -187.3444 760974.5153 15.6176 15.5433 PRESSURE: 2739200 -91.4698 -99.5342 39.6482 -99.5342 27.2311 -119.301 39.6482 -119.301 -283.606 GPRESSURE: 2739200 20.8478 -126.756 69.9173 -75.5813 -38.7415 -188.906 89.8746 -188.801 -255.713 PRESSAVG: 2739200 -44.267 14.9163 -7.17238 14.9162 78.3056 11.9017 -7.1724 11.9017 1.99143 GPRESSAVG: 2739200 -42.9782 14.3946 -7.21091 17.9354 78.5183 11.4387 -5.97991 15.1727 0.650778 TIMING: 2739200 CPU: 8651.2, 0.00315928/step Wall: 8651.2, 0.00315928/step, 1.98403 hours remaining, 233.855469 MB of memory in use. ENERGY: 2739200 4089.9982 20616.7177 14486.1551 237.2130 -202937.4585 2277.9383 0.0000 0.0000 51954.1150 -109275.3212 298.5810 -161229.4362 -108915.0643 299.6280 -115.9482 -91.2021 760615.9882 12.0100 12.0637 PRESSURE: 2739400 -273.659 76.0375 -183.691 76.0376 -98.3837 -223.008 -183.692 -223.009 -71.355 GPRESSURE: 2739400 -183.039 262.474 -137.457 112.736 -100.013 -185.095 -75.7625 -157.759 -81.4398 PRESSAVG: 2739400 -8.51424 -11.484 -28.6175 -11.484 48.2052 -77.7624 -28.6176 -77.7625 -7.29691 GPRESSAVG: 2739400 -8.50304 -11.0005 -27.6496 -12.4055 47.324 -77.9607 -28.8222 -80.0571 -6.7424 TIMING: 2739400 CPU: 8651.83, 0.00315955/step Wall: 8651.83, 0.00315955/step, 1.98402 hours remaining, 233.855469 MB of memory in use. ENERGY: 2739400 4020.3260 20581.9409 14472.9897 254.4490 -203046.9626 2249.0823 0.0000 0.0000 51996.1858 -109471.9890 298.8228 -161468.1747 -109113.6354 299.0813 -147.7994 -121.4973 761327.0288 10.7980 10.6929 PRESSURE: 2739600 -64.0753 -66.4445 313.358 -66.444 -305.129 -281.74 313.359 -281.741 -36.987 GPRESSURE: 2739600 -39.0905 -73.5993 280.152 14.5957 -180.895 -237.717 110.005 -10.5296 -117.32 PRESSAVG: 2739600 -34.4637 42.8036 -24.8737 42.8037 50.1017 -60.3341 -24.8736 -60.3342 -12.7766 GPRESSAVG: 2739600 -33.9385 42.1152 -26.2497 44.5238 50.255 -60.5316 -25.4848 -58.0382 -13.156 TIMING: 2739600 CPU: 8652.46, 0.00312975/step Wall: 8652.46, 0.00312975/step, 1.96514 hours remaining, 233.855469 MB of memory in use. ENERGY: 2739600 4080.5673 20549.9220 14401.8686 239.1566 -203498.8926 2707.4656 0.0000 0.0000 52063.6866 -109456.2259 299.2107 -161519.9125 -109090.9470 299.1557 -135.3972 -112.4353 761330.3733 0.9538 1.0535 PRESSURE: 2739800 -194.557 114.698 189.23 114.698 -313.668 -106.259 189.23 -106.26 97.4396 GPRESSURE: 2739800 -169.205 44.1256 191.928 207.725 -193.805 -144.316 52.94 -52.7025 40.9259 PRESSAVG: 2739800 -29.6478 -27.2741 46.644 -27.2741 25.1277 -8.63286 46.644 -8.63275 32.1934 GPRESSAVG: 2739800 -30.2678 -26.7898 48.1869 -29.192 26.275 -8.54732 45.31 -8.23987 31.7182 TIMING: 2739800 CPU: 8653.08, 0.00313645/step Wall: 8653.08, 0.00313645/step, 1.96917 hours remaining, 233.855469 MB of memory in use. ENERGY: 2739800 3958.6195 20687.3844 14487.2398 249.4211 -203348.4935 2489.2370 0.0000 0.0000 52043.1472 -109433.4445 299.0927 -161476.5917 -109079.2445 299.0944 -136.9283 -107.3613 760671.3531 9.2244 9.2418 PRESSURE: 2740000 421.47 55.3638 -87.3083 55.3643 -219.949 218.901 -87.309 218.901 53.813 GPRESSURE: 2740000 439.284 57.9283 -191.068 72.0905 -149.274 189.079 -79.528 206.545 69.4929 PRESSAVG: 2740000 4.53434 -18.8731 7.44124 -18.8731 6.58275 10.7313 7.44122 10.7313 -9.93366 GPRESSAVG: 2740000 5.82499 -19.6626 6.12093 -18.3949 5.62194 10.9018 11.5066 9.33802 -10.1599 TIMING: 2740000 CPU: 8653.71, 0.00314082/step Wall: 8653.71, 0.00314082/step, 1.97174 hours remaining, 233.855469 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: 2740000 4054.0177 20586.2549 14520.7030 253.7668 -203225.4078 2356.2757 0.0000 0.0000 51947.2649 -109507.1247 298.5416 -161454.3897 -109158.7545 299.2291 85.1112 119.8343 760431.1255 0.3945 0.4290 PRESSURE: 2740200 124.66 -6.743 -16.6469 -6.74272 223.728 -66.9271 -16.6462 -66.9262 -294.894 GPRESSURE: 2740200 109.306 36.918 -46.5757 -24.6374 265.999 -69.6778 -173.644 -66.1742 -241.719 PRESSAVG: 2740200 51.7276 7.04403 -23.3685 7.04399 -22.0805 12.4962 -23.3685 12.4963 11.526 GPRESSAVG: 2740200 49.027 7.71567 -22.2665 5.4184 -20.5408 12.8779 -25.5511 10.8698 13.4105 TIMING: 2740200 CPU: 8654.34, 0.00314191/step Wall: 8654.34, 0.00314191/step, 1.97225 hours remaining, 233.855469 MB of memory in use. ENERGY: 2740200 3967.4369 20405.9557 14511.7862 265.0587 -203489.1363 2697.6885 0.0000 0.0000 51915.6496 -109725.5608 298.3600 -161641.2104 -109372.9597 298.4217 17.8316 44.5285 761149.5974 13.7244 13.9656 LDB: ============= START OF LOAD BALANCING ============== 8666.87 LDB: ============== END OF LOAD BALANCING =============== 8666.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8666.87 LDB: ============= START OF LOAD BALANCING ============== 8667.19 LDB: Largest compute 7024 load 0.030061 is 15.4% of average load 0.195445 LDB: Average compute 0.004385 is 2.2% of average load 0.195445 LDB: TIME 8667.19 LOAD: AVG 0.195445 MAX 0.215431 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.391 MB LDB: TIME 8667.19 LOAD: AVG 0.195445 MAX 0.215431 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: TIME 8667.19 LOAD: AVG 0.195445 MAX 0.215431 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.594 MB LDB: ============== END OF LOAD BALANCING =============== 8667.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8667.2 PRESSURE: 2740400 155.584 -36.4438 114.83 -36.4429 -307.955 -129.38 114.83 -129.38 -44.6679 GPRESSURE: 2740400 120.613 -78.3717 137.938 -14.726 -179.763 -119.634 145.106 -97.5321 -37.0731 PRESSAVG: 2740400 27.0079 3.68103 -16.004 3.68106 -5.33411 -28.1555 -16.004 -28.1555 19.3363 GPRESSAVG: 2740400 27.3665 3.41024 -18.0772 3.11144 -5.42792 -29.1531 -18.3176 -25.1481 19.4125 TIMING: 2740400 CPU: 8654.98, 0.00321191/step Wall: 8654.98, 0.00321191/step, 2.01601 hours remaining, 235.652344 MB of memory in use. ENERGY: 2740400 4020.9394 20500.0583 14512.3882 248.0221 -203730.4275 2641.1987 0.0000 0.0000 52081.6928 -109726.1280 299.3142 -161807.8208 -109359.7581 298.4969 -65.6795 -32.0745 761569.2839 13.6700 13.7837 PRESSURE: 2740600 287.112 -101.684 -19.3211 -101.684 -136.908 47.5088 -19.3212 47.5084 -365.001 GPRESSURE: 2740600 240.792 -92.0379 -41.2782 88.1358 -93.2176 82.6201 77.1587 155.338 -297.585 PRESSAVG: 2740600 57.3492 -12.9232 -66.481 -12.9232 18.9248 40.9353 -66.481 40.9353 -13.1775 GPRESSAVG: 2740600 58.9727 -11.8627 -66.0113 -11.3838 18.7839 40.4244 -63.7983 41.37 -14.7488 TIMING: 2740600 CPU: 8655.61, 0.00314093/step Wall: 8655.61, 0.00314093/step, 1.97128 hours remaining, 235.652344 MB of memory in use. ENERGY: 2740600 3955.9502 20560.2939 14428.3316 259.8659 -203592.9013 2464.9103 0.0000 0.0000 52162.6456 -109760.9038 299.7794 -161923.5494 -109403.9181 298.9397 -71.5989 -50.0035 762766.9790 21.0322 21.0026 PRESSURE: 2740800 84.5264 82.2315 83.3344 82.2313 206.395 63.737 83.3356 63.7366 484.709 GPRESSURE: 2740800 239.919 55.0477 114.542 -54.924 272.046 60.089 -11.1427 49.1887 354.167 PRESSAVG: 2740800 19.6603 -24.2408 20.3225 -24.2408 -38.0024 59.7307 20.3226 59.7307 -9.53586 GPRESSAVG: 2740800 19.1524 -24.2426 19.7904 -24.6927 -38.9433 61.8293 18.6803 58.6299 -7.83907 TIMING: 2740800 CPU: 8656.24, 0.0031296/step Wall: 8656.24, 0.0031296/step, 1.964 hours remaining, 235.652344 MB of memory in use. ENERGY: 2740800 3935.1265 20610.5128 14470.2514 253.4550 -203524.0241 2755.6464 0.0000 0.0000 51907.0773 -109591.9547 298.3107 -161499.0320 -109233.8455 298.7538 258.5437 288.7106 762180.2724 -9.2927 -9.2100 PRESSURE: 2741000 -200.178 14.5797 -111.814 14.5803 -81.4954 -158.003 -111.814 -158.004 -316.909 GPRESSURE: 2741000 -153.876 -67.4581 -156.135 24.5049 -58.6929 -209.523 -142.42 -230.81 -318.405 PRESSAVG: 2741000 44.1408 -23.4344 -30.1956 -23.4344 -4.96611 17.2073 -30.1956 17.2073 27.9344 GPRESSAVG: 2741000 44.9367 -23.1674 -30.2183 -22.8736 -4.86534 15.3514 -28.2246 18.5152 26.9889 TIMING: 2741000 CPU: 8656.86, 0.00313544/step Wall: 8656.86, 0.00313544/step, 1.96749 hours remaining, 235.652344 MB of memory in use. ENERGY: 2741000 3987.8098 20340.1968 14414.4863 264.6807 -202977.6348 2159.8423 0.0000 0.0000 52137.8964 -109672.7225 299.6372 -161810.6189 -109301.7451 298.6971 -199.5275 -176.9913 762258.2449 22.3697 22.3534 PRESSURE: 2741200 57.6697 60.1832 -183.63 60.1833 -230.982 -88.9082 -183.63 -88.908 -10.1921 GPRESSURE: 2741200 214.223 127.46 -189.866 172.804 -267.826 -39.9489 -235.607 -154.575 -44.2866 PRESSAVG: 2741200 -24.4987 -41.9107 -40.2604 -41.9107 32.2899 17.2474 -40.2604 17.2474 25.9843 GPRESSAVG: 2741200 -25.5972 -42.7532 -39.2828 -42.1354 33.3166 16.7681 -42.955 15.8568 25.9357 TIMING: 2741200 CPU: 8657.49, 0.0031501/step Wall: 8657.49, 0.0031501/step, 1.97651 hours remaining, 235.652344 MB of memory in use. ENERGY: 2741200 4049.9705 20417.6288 14504.9220 249.6633 -203449.7070 2582.8236 0.0000 0.0000 51972.7970 -109671.9018 298.6884 -161644.6988 -109323.0656 298.6154 -61.1682 -32.6297 759949.4600 11.2585 11.2184 PRESSURE: 2741400 -40.5813 -85.5273 -60.822 -85.5269 -233.613 184.454 -60.8222 184.454 139.733 GPRESSURE: 2741400 45.556 -77.8622 39.6692 -134.047 -222.713 115.833 -24.4 101.466 126.88 PRESSAVG: 2741400 1.1788 17.7743 -31.2161 17.7743 -38.6698 -2.70295 -31.2161 -2.70294 -1.36194 GPRESSAVG: 2741400 2.70526 15.6669 -31.6139 16.6115 -38.7061 -1.92635 -29.5952 -2.32928 -2.27732 TIMING: 2741400 CPU: 8658.12, 0.00314185/step Wall: 8658.12, 0.00314185/step, 1.97116 hours remaining, 235.652344 MB of memory in use. ENERGY: 2741400 3989.4854 20357.8933 14444.4800 240.0043 -203419.5570 2617.1671 0.0000 0.0000 52053.1813 -109717.3455 299.1503 -161770.5268 -109349.0014 298.1795 -44.8205 -16.7589 759562.5800 -12.9510 -12.7594 PRESSURE: 2741600 -124.278 32.6632 -29.0933 32.6634 385.47 -117.921 -29.0933 -117.919 538.018 GPRESSURE: 2741600 9.78136 70.3453 31.8618 73.4937 288.486 -169.447 -79.7568 -53.2499 592.968 PRESSAVG: 2741600 39.1838 15.2276 25.8963 15.2276 -51.9825 49.8431 25.8964 49.843 -11.7372 GPRESSAVG: 2741600 37.8778 17.0679 25.891 15.0015 -51.9103 50.9082 24.6941 47.6207 -10.7406 TIMING: 2741600 CPU: 8658.76, 0.0031647/step Wall: 8658.76, 0.0031647/step, 1.98532 hours remaining, 235.652344 MB of memory in use. ENERGY: 2741600 3950.4152 20316.3474 14553.9983 240.9669 -202975.7914 2413.7195 0.0000 0.0000 51915.7947 -109584.5494 298.3608 -161500.3441 -109212.4069 298.4636 266.4033 297.0787 762172.9978 -8.1786 -8.2577 PRESSURE: 2741800 20.4756 52.8031 -247.252 52.8024 -135.092 147.434 -247.252 147.433 310.86 GPRESSURE: 2741800 99.4471 0.120446 -334.761 34.0457 -129.822 198.438 -178.051 150.321 289.846 PRESSAVG: 2741800 7.24654 13.9034 -38.5262 13.9034 -19.1898 52.6435 -38.5261 52.6435 0.0475585 GPRESSAVG: 2741800 7.5083 13.2124 -40.0832 13.7756 -20.174 53.0721 -38.3381 54.1848 0.603785 TIMING: 2741800 CPU: 8659.39, 0.00315849/step Wall: 8659.39, 0.00315849/step, 1.98125 hours remaining, 235.652344 MB of memory in use. ENERGY: 2741800 3895.5171 20376.1883 14472.6277 239.4691 -202970.7304 2402.3733 0.0000 0.0000 52050.2746 -109534.2804 299.1336 -161584.5550 -109175.8935 298.5483 65.4147 86.4904 760669.0955 -3.9652 -4.0206 PRESSURE: 2742000 -270.711 -114.166 -90.8905 -114.165 -56.0414 133.273 -90.8904 133.274 -204.778 GPRESSURE: 2742000 -206.877 -18.8113 -7.37073 -75.9708 4.26426 16.4294 -71.6232 148.649 -250.514 PRESSAVG: 2742000 38.1058 27.1296 -21.7826 27.1296 -2.33268 71.9911 -21.7826 71.9911 6.61449 GPRESSAVG: 2742000 37.3016 29.5009 -19.4979 26.2286 -2.06518 71.1483 -22.8098 73.703 7.2015 TIMING: 2742000 CPU: 8660.02, 0.00315521/step Wall: 8660.02, 0.00315521/step, 1.97902 hours remaining, 235.652344 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: 2742000 3946.2244 20612.2380 14402.5867 265.0463 -202868.4749 2201.4710 0.0000 0.0000 52049.6610 -109391.2476 299.1301 -161440.9086 -109025.0758 299.0284 -177.1769 -151.0422 761520.7948 14.1292 14.1460 PRESSURE: 2742200 -41.8082 160.98 -129.01 160.98 -168.473 192.248 -129.01 192.247 -43.0757 GPRESSURE: 2742200 -13.5483 75.837 -161.249 107.328 -128.723 115.888 -188.633 151.48 -29.2802 PRESSAVG: 2742200 -26.9721 -28.7203 8.87572 -28.7203 7.51206 -57.4126 8.87563 -57.4126 8.66835 GPRESSAVG: 2742200 -25.8174 -31.7191 7.99758 -26.6543 6.35171 -58.3256 11.0895 -58.8164 8.74077 TIMING: 2742200 CPU: 8660.65, 0.00313999/step Wall: 8660.65, 0.00313999/step, 1.96929 hours remaining, 235.652344 MB of memory in use. ENERGY: 2742200 3926.8737 20486.0087 14484.8132 254.3591 -202808.0865 2442.2939 0.0000 0.0000 51954.7902 -109258.9476 298.5849 -161213.7378 -108896.9375 299.5601 -84.4522 -57.1837 761653.6095 -3.5972 -3.5750 PRESSURE: 2742400 -250.537 17.8887 140.411 17.8886 87.0051 280.954 140.411 280.954 -43.3232 GPRESSURE: 2742400 -131.698 -11.5808 82.3065 -32.7356 97.7703 231.54 72.3687 191.219 -97.17 PRESSAVG: 2742400 -53.0805 -33.2535 -18.2903 -33.2535 48.2826 -23.2679 -18.2903 -23.2679 -19.5755 GPRESSAVG: 2742400 -53.413 -33.3584 -18.6748 -34.8395 49.3996 -22.2103 -19.4613 -22.1106 -20.4028 TIMING: 2742400 CPU: 8661.27, 0.00313014/step Wall: 8661.27, 0.00313014/step, 1.96295 hours remaining, 235.652344 MB of memory in use. ENERGY: 2742400 4007.4533 20394.9692 14404.3624 260.9520 -203118.6219 2491.3431 0.0000 0.0000 52468.5187 -109091.0233 301.5373 -161559.5420 -108734.3368 299.8142 -68.9516 -43.6992 760847.4197 -8.1245 -8.1387 PRESSURE: 2742600 81.3279 -192.04 133.367 -192.04 -205.525 269.19 133.367 269.19 -327.301 GPRESSURE: 2742600 51.6629 -227.109 131.547 -210.307 -147.083 309.138 189.186 203.978 -271.776 PRESSAVG: 2742600 -3.39956 -59.6242 -20.4616 -59.6241 -28.4141 -13.4243 -20.4616 -13.4243 0.185211 GPRESSAVG: 2742600 -4.16988 -59.9015 -18.7725 -54.8638 -28.5106 -13.6295 -21.2984 -13.7586 0.21036 TIMING: 2742600 CPU: 8661.9, 0.00314468/step Wall: 8661.9, 0.00314468/step, 1.97189 hours remaining, 235.652344 MB of memory in use. ENERGY: 2742600 4034.9287 20486.0851 14462.7202 247.9683 -202862.9072 2322.4279 0.0000 0.0000 52038.8052 -109269.9717 299.0677 -161308.7769 -108911.5060 299.4947 -150.4994 -122.3984 761272.3197 -10.5428 -10.8234 PRESSURE: 2742800 48.1076 -247.574 -17.4353 -247.574 -107.616 -0.15087 -17.4358 -0.150504 -414.519 GPRESSURE: 2742800 12.6094 -157.307 -74.6574 -179.87 -54.4072 -143.369 89.8321 68.1239 -344.915 PRESSAVG: 2742800 22.4036 -13.8602 11.3283 -13.8602 -41.8659 16.5694 11.3284 16.5693 -4.9018 GPRESSAVG: 2742800 22.3816 -13.4109 8.15921 -16.824 -42.8413 16.569 13.2813 16.5954 -4.01818 TIMING: 2742800 CPU: 8662.53, 0.00313214/step Wall: 8662.53, 0.00313214/step, 1.96385 hours remaining, 235.652344 MB of memory in use. ENERGY: 2742800 3983.2815 20505.7673 14466.3397 235.3483 -202961.8208 2410.1521 0.0000 0.0000 52153.0161 -109207.9157 299.7241 -161360.9318 -108834.8990 299.7034 -158.0092 -128.9043 761650.6188 -8.1214 -8.1593 PRESSURE: 2743000 395.672 -44.0533 -73.3068 -44.053 293.834 44.1267 -73.3074 44.1267 25.5776 GPRESSURE: 2743000 302.269 -105.359 -35.5484 -110.843 338.253 13.9815 -43.8051 -12.5258 162.97 PRESSAVG: 2743000 38.2558 -27.1231 36.8696 -27.123 8.84004 -8.21511 36.8695 -8.21514 25.9972 GPRESSAVG: 2743000 38.4547 -27.3465 38.6381 -26.991 8.77934 -9.01183 35.9553 -8.50588 25.824 TIMING: 2743000 CPU: 8663.16, 0.00313724/step Wall: 8663.16, 0.00313724/step, 1.96687 hours remaining, 235.652344 MB of memory in use. ENERGY: 2743000 4009.1986 20647.3507 14502.4742 228.4007 -203649.0868 2970.2547 0.0000 0.0000 52028.4779 -109262.9299 299.0084 -161291.4079 -108900.1466 299.2329 238.3610 267.8306 760293.5868 24.3643 24.3527 PRESSURE: 2743200 40.9043 -174.687 117.799 -174.687 306.32 -312.844 117.8 -312.844 235.679 GPRESSURE: 2743200 54.0502 -149.449 157.905 -114.054 401.899 -310.059 15.6527 -212.649 210.662 PRESSAVG: 2743200 -11.1243 -2.22761 -6.59482 -2.22764 35.0229 45.9797 -6.59481 45.9797 -15.4867 GPRESSAVG: 2743200 -11.0909 -0.863707 -6.29209 -2.86817 35.9378 46.7133 -8.45714 48.1602 -16.6482 TIMING: 2743200 CPU: 8663.78, 0.00311953/step Wall: 8663.78, 0.00311953/step, 1.9556 hours remaining, 235.652344 MB of memory in use. ENERGY: 2743200 3904.7938 20401.8489 14460.5310 253.3195 -203229.2235 2553.1059 0.0000 0.0000 52402.9026 -109252.7219 301.1602 -161655.6245 -108887.2957 299.3468 194.3012 222.2035 760610.0964 2.8040 2.7329 PRESSURE: 2743400 -22.2419 1.20797 -116.199 1.2081 -242.291 -148.981 -116.198 -148.981 -361.683 GPRESSURE: 2743400 76.1056 -64.096 -86.7671 -24.5138 -312.432 -224.937 -34.6323 -157.589 -317.345 PRESSAVG: 2743400 -1.17557 -36.0461 7.8492 -36.0461 -19.3431 -41.8382 7.84926 -41.8382 15.9595 GPRESSAVG: 2743400 -0.98478 -37.3604 7.44397 -34.5157 -19.9752 -41.9618 7.61597 -44.5085 16.03 TIMING: 2743400 CPU: 8664.41, 0.0031455/step Wall: 8664.41, 0.0031455/step, 1.97171 hours remaining, 235.652344 MB of memory in use. ENERGY: 2743400 4062.4275 20568.1504 14501.9296 250.5031 -203290.2763 2621.0628 0.0000 0.0000 51983.8100 -109302.3930 298.7517 -161286.2029 -108948.5691 299.2382 -208.7387 -184.5570 763522.7586 -1.5197 -1.6433 PRESSURE: 2743600 70.7853 -18.6954 -54.5887 -18.6957 226.927 101.305 -54.5888 101.304 -404.667 GPRESSURE: 2743600 71.1356 13.1237 14.3622 -47.1862 275.113 107.346 -23.1088 66.6594 -368.026 PRESSAVG: 2743600 3.28347 -14.5408 23.9494 -14.5409 11.8143 6.43245 23.9493 6.43241 8.04016 GPRESSAVG: 2743600 3.58767 -14.5809 25.3064 -15.4651 10.6826 6.19499 24.6517 7.0564 9.2797 TIMING: 2743600 CPU: 8665.04, 0.0031571/step Wall: 8665.04, 0.00315709/step, 1.9788 hours remaining, 235.652344 MB of memory in use. ENERGY: 2743600 3960.2622 20435.7684 14471.5063 250.3681 -203206.5672 2694.9821 0.0000 0.0000 52275.8056 -109117.8745 300.4298 -161393.6801 -108746.4999 298.8876 -35.6514 -7.2589 761682.1668 7.7127 7.8500 PRESSURE: 2743800 -295.877 -452.007 34.2381 -452.007 -424.192 -27.1207 34.2379 -27.1209 92.2869 GPRESSURE: 2743800 -288.172 -372.375 77.1567 -316.299 -299.09 19.6902 -90.7259 12.6543 71.7954 PRESSAVG: 2743800 -17.3279 -59.5442 -26.9678 -59.5442 5.29723 -20.5697 -26.9678 -20.5697 -13.8001 GPRESSAVG: 2743800 -16.1057 -58.2577 -25.8298 -59.4858 5.91577 -20.7944 -25.5876 -17.0578 -16.1296 TIMING: 2743800 CPU: 8665.67, 0.00314536/step Wall: 8665.67, 0.00314536/step, 1.97127 hours remaining, 235.652344 MB of memory in use. ENERGY: 2743800 3948.6181 20415.4540 14522.3306 242.8701 -203010.6966 2376.7669 0.0000 0.0000 52382.9581 -109121.6988 301.0456 -161504.6569 -108754.3152 299.3986 -209.2606 -171.8222 763003.5717 -8.6102 -8.7732 PRESSURE: 2744000 82.284 -191.957 312.728 -191.957 -117.563 72.4547 312.729 72.4538 110.203 GPRESSURE: 2744000 29.7925 -241.406 268.621 -258.118 7.84477 103.536 224.408 -107.035 115.92 PRESSAVG: 2744000 -3.46647 -99.0068 15.6187 -99.0068 27.1908 17.9093 15.6187 17.9092 -8.93837 GPRESSAVG: 2744000 -5.25884 -100.184 13.8279 -99.9705 26.7064 19.4107 14.8879 13.3899 -6.6156 TIMING: 2744000 CPU: 8666.3, 0.00313926/step Wall: 8666.3, 0.00313926/step, 1.96727 hours remaining, 235.652344 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: 2744000 4023.7976 20486.4451 14450.5129 259.1460 -203135.7747 2610.3018 0.0000 0.0000 52140.2174 -109165.3538 299.6505 -161305.5712 -108799.0187 299.1546 24.9746 51.1858 761885.9298 4.9286 4.9440 PRESSURE: 2744200 -270.608 119.017 -130.293 119.017 110.658 119.606 -130.294 119.606 -40.8023 GPRESSURE: 2744200 -179.34 59.3873 -98.6596 99.1991 80.366 54.9747 2.24898 266.251 -18.3694 PRESSAVG: 2744200 25.4128 -16.7716 22.7302 -16.7716 -2.94707 -12.9423 22.7301 -12.9423 -0.467722 GPRESSAVG: 2744200 25.9246 -17.8473 23.9275 -15.7161 -2.96154 -14.8983 22.0878 -11.6511 -0.70224 TIMING: 2744200 CPU: 8666.93, 0.00315955/step Wall: 8666.93, 0.00315955/step, 1.97981 hours remaining, 235.652344 MB of memory in use. ENERGY: 2744200 3977.8585 20616.8591 14585.2150 241.2510 -203408.5976 2587.9839 0.0000 0.0000 52206.9516 -109192.4785 300.0341 -161399.4301 -108828.6161 299.6900 -66.9174 -39.1144 761239.8079 7.3327 7.4203 LDB: ============= START OF LOAD BALANCING ============== 8679.46 LDB: ============== END OF LOAD BALANCING =============== 8679.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8679.46 LDB: ============= START OF LOAD BALANCING ============== 8679.78 LDB: Largest compute 7065 load 0.033302 is 17.0% of average load 0.195499 LDB: Average compute 0.004397 is 2.2% of average load 0.195499 LDB: TIME 8679.78 LOAD: AVG 0.195499 MAX 0.216668 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 8679.78 LOAD: AVG 0.195499 MAX 0.216668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: TIME 8679.78 LOAD: AVG 0.195499 MAX 0.216668 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.723 MB LDB: ============== END OF LOAD BALANCING =============== 8679.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8679.79 PRESSURE: 2744400 155.113 -145.692 97.9581 -145.693 218.299 40.1918 97.9581 40.1923 512.309 GPRESSURE: 2744400 297.026 -92.1872 109.916 -102.178 228.722 82.996 2.49887 96.4237 453.107 PRESSAVG: 2744400 14.153 -3.27076 -28.5154 -3.27075 14.6176 33.2622 -28.5154 33.2623 5.53961 GPRESSAVG: 2744400 15.1428 -1.98156 -28.6423 -4.75191 15.0605 34.525 -29.3827 33.5768 4.26549 TIMING: 2744400 CPU: 8667.57, 0.00321942/step Wall: 8667.57, 0.00321942/step, 2.01714 hours remaining, 235.710938 MB of memory in use. ENERGY: 2744400 3953.0326 20510.6272 14544.7265 260.2230 -203361.5857 2572.0884 0.0000 0.0000 52156.3071 -109364.5809 299.7430 -161520.8880 -109009.6433 299.3243 295.2403 326.2850 761345.4357 11.4367 11.4896 PRESSURE: 2744600 82.4497 21.886 233.47 21.887 -103.924 -128.213 233.47 -128.213 154.351 GPRESSURE: 2744600 114.225 -51.1817 256.576 -43.1132 -1.20869 -108.603 283.25 -114.065 84.3932 PRESSAVG: 2744600 31.8301 -9.36747 -41.1407 -9.36744 -10.3067 -28.371 -41.1408 -28.3711 28.4024 GPRESSAVG: 2744600 30.3029 -12.6813 -43.2455 -9.30661 -10.1158 -27.4152 -40.1864 -28.0759 29.6224 TIMING: 2744600 CPU: 8668.2, 0.00313966/step Wall: 8668.2, 0.00313966/step, 1.967 hours remaining, 235.710938 MB of memory in use. ENERGY: 2744600 4058.0810 20546.2302 14456.9565 241.9542 -203646.4046 2920.0705 0.0000 0.0000 51957.3602 -109465.7520 298.5997 -161423.1122 -109106.1687 299.3907 44.2924 65.8032 761780.6403 16.6419 16.6031 PRESSURE: 2744800 7.38926 -58.1143 -22.2342 -58.1144 -45.6999 131.59 -22.2341 131.589 -292.765 GPRESSURE: 2744800 -2.57197 -18.89 -52.739 -38.6314 89.928 83.6469 -87.2097 168.143 -317.791 PRESSAVG: 2744800 -54.4585 -28.3172 -16.2782 -28.3172 -32.2367 -38.7964 -16.2782 -38.7964 14.7817 GPRESSAVG: 2744800 -54.6656 -27.5602 -13.6573 -29.1175 -31.5128 -39.4322 -14.9304 -37.7744 14.2928 TIMING: 2744800 CPU: 8668.83, 0.00313901/step Wall: 8668.83, 0.00313901/step, 1.96642 hours remaining, 235.710938 MB of memory in use. ENERGY: 2744800 4077.8578 20437.1890 14521.1617 252.8643 -203522.5632 2705.7299 0.0000 0.0000 52058.6786 -109469.0820 299.1819 -161527.7605 -109110.6555 299.1821 -110.3584 -76.8117 763294.4489 -23.9712 -23.9619 PRESSURE: 2745000 46.9849 4.38033 53.5591 4.38018 -256.968 132.757 53.5594 132.755 -38.4778 GPRESSURE: 2745000 95.21 -36.7041 132.841 -3.83043 -256.925 69.4366 117.833 -41.5303 7.44172 PRESSAVG: 2745000 48.7813 -50.6782 8.56043 -50.6781 -24.895 32.8685 8.56042 32.8685 -8.81765 GPRESSAVG: 2745000 48.9802 -49.055 8.87057 -49.4323 -24.5231 31.0821 6.21622 29.6548 -9.59748 TIMING: 2745000 CPU: 8669.46, 0.00315486/step Wall: 8669.46, 0.00315486/step, 1.97617 hours remaining, 235.710938 MB of memory in use. ENERGY: 2745000 3992.1511 20605.1463 14495.5179 255.5716 -202818.3428 2389.8344 0.0000 0.0000 51813.8521 -109266.2694 297.7749 -161080.1215 -108907.8913 299.3519 -82.8203 -51.4244 762894.6208 5.0229 4.9532 PRESSURE: 2745200 234.784 156.092 128.193 156.093 -87.4767 126.145 128.193 126.145 -113.451 GPRESSURE: 2745200 298.483 123.115 204.743 185.949 -195.194 180.188 20.2972 128.509 9.22028 PRESSAVG: 2745200 24.3436 -29.0475 13.0567 -29.0475 -13.3814 3.55638 13.0567 3.55643 -20.0637 GPRESSAVG: 2745200 25 -30.8829 13.1686 -29.2829 -13.7413 4.21806 11.5234 2.69179 -20.4015 TIMING: 2745200 CPU: 8670.09, 0.00313967/step Wall: 8670.09, 0.00313967/step, 1.96648 hours remaining, 235.710938 MB of memory in use. ENERGY: 2745200 3987.7833 20407.6299 14511.3996 253.2594 -203167.9497 2713.3295 0.0000 0.0000 51911.1534 -109383.3946 298.3341 -161294.5480 -109020.3217 299.2983 11.2854 37.5029 762040.7002 -3.0339 -3.0476 PRESSURE: 2745400 151.775 -107.9 482.244 -107.899 -316.075 16.519 482.244 16.5192 -268.781 GPRESSURE: 2745400 133.485 -273.424 413.498 -101.421 -233.59 -26.668 419.654 -3.85569 -230.155 PRESSAVG: 2745400 59.4304 -33.191 8.52318 -33.1911 -48.9743 -27.1228 8.52317 -27.1228 0.819149 GPRESSAVG: 2745400 58.637 -30.804 6.92261 -34.1023 -49.7684 -27.2306 10.0944 -25.4707 2.34235 TIMING: 2745400 CPU: 8670.72, 0.00314871/step Wall: 8670.72, 0.00314871/step, 1.97197 hours remaining, 235.710938 MB of memory in use. ENERGY: 2745400 4003.6171 20538.9281 14462.4761 243.2496 -203126.5620 2619.3495 0.0000 0.0000 51836.6233 -109422.3183 297.9058 -161258.9415 -109073.5631 299.4427 -144.3606 -110.0866 763335.3806 3.7584 3.7370 PRESSURE: 2745600 -123.851 28.6067 82.6464 28.6069 367.254 -29.2517 82.6464 -29.2519 -204.24 GPRESSURE: 2745600 -66.6968 32.2513 9.50385 74.7762 319.664 91.9784 65.0009 -70.0668 -123.873 PRESSAVG: 2745600 -5.09029 -42.1381 44.5263 -42.1382 -24.3138 18.6247 44.5263 18.6247 -0.832805 GPRESSAVG: 2745600 -4.24164 -43.3391 42.6285 -41.033 -24.503 18.5684 45.8464 18.5553 -0.854908 TIMING: 2745600 CPU: 8671.34, 0.00313589/step Wall: 8671.34, 0.00313589/step, 1.96377 hours remaining, 235.710938 MB of memory in use. ENERGY: 2745600 3963.0961 20425.1312 14440.0916 261.3175 -203002.0686 2452.2048 0.0000 0.0000 52049.0330 -109411.1944 299.1265 -161460.2274 -109050.9570 299.2452 13.0542 43.0314 762593.2549 -10.0790 -9.8665 PRESSURE: 2745800 155.118 34.7562 -107.698 34.7561 107.769 208.549 -107.698 208.55 126.643 GPRESSURE: 2745800 206.224 81.6199 -216.514 -33.4359 164.926 275.822 -33.9385 49.8039 91.8217 PRESSAVG: 2745800 4.97959 -23.8457 4.39683 -23.8457 17.5646 30.082 4.39679 30.082 0.315314 GPRESSAVG: 2745800 5.23134 -23.5327 6.64726 -22.4893 18.0806 30.0874 3.68934 32.9046 0.0544922 TIMING: 2745800 CPU: 8671.97, 0.00312047/step Wall: 8671.97, 0.00312047/step, 1.95393 hours remaining, 235.710938 MB of memory in use. ENERGY: 2745800 3981.7772 20601.2938 14482.3065 254.5300 -203469.6757 2949.8406 0.0000 0.0000 51837.5995 -109362.3281 297.9114 -161199.9276 -109009.0679 299.0916 129.8435 154.3239 762181.4438 7.6198 7.7888 PRESSURE: 2746000 -257.818 135.724 297.153 135.725 -284.947 -141.969 297.153 -141.968 -299.305 GPRESSURE: 2746000 -212.412 95.2835 301.796 30.744 -223.022 -119.064 139.685 -156.891 -314.229 PRESSAVG: 2746000 8.72886 -25.1837 -26.8945 -25.1837 -19.0846 -42.8385 -26.8945 -42.8386 11.0659 GPRESSAVG: 2746000 9.01887 -26.3515 -25.3126 -27.7215 -18.9981 -43.4478 -26.3513 -44.695 10.2575 TIMING: 2746000 CPU: 8672.59, 0.00312926/step Wall: 8672.59, 0.00312926/step, 1.95927 hours remaining, 235.710938 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: 2746000 4094.7851 20364.5922 14469.1714 253.0015 -203301.1386 2536.3041 0.0000 0.0000 52199.7591 -109383.5253 299.9927 -161583.2844 -109012.4629 299.2602 -280.6900 -249.8878 763773.8739 0.2367 0.0928 PRESSURE: 2746200 -299.011 -2.92362 -54.3969 -2.92375 -142.141 -132.892 -54.3976 -132.893 -124.142 GPRESSURE: 2746200 -229.617 38.6364 46.967 -34.7037 -82.3441 -129.788 -47.2071 -102.936 -156.218 PRESSAVG: 2746200 -20.6015 -39.5681 8.27358 -39.5681 30.6602 -25.0459 8.27357 -25.0458 22.4963 GPRESSAVG: 2746200 -21.5595 -36.2547 7.8397 -37.8498 30.6327 -24.2033 6.90788 -26.0036 22.8793 TIMING: 2746200 CPU: 8673.22, 0.00312648/step Wall: 8673.22, 0.00312648/step, 1.95735 hours remaining, 235.710938 MB of memory in use. ENERGY: 2746200 4050.6035 20339.5571 14507.3132 233.1723 -203169.8434 2582.6569 0.0000 0.0000 52051.0388 -109405.5016 299.1380 -161456.5403 -109042.0227 299.0387 -188.4314 -156.0598 761759.4753 10.8517 10.6508 PRESSURE: 2746400 62.0278 25.5265 200.586 25.5258 -87.7216 -45.6343 200.586 -45.6338 -532.488 GPRESSURE: 2746400 83.9838 -20.3581 193.721 2.11674 -48.0455 -32.4102 198.625 -3.99719 -508.069 PRESSAVG: 2746400 21.1149 -10.5084 -55.035 -10.5083 -47.8337 -4.46976 -55.035 -4.46977 2.5963 GPRESSAVG: 2746400 20.3109 -11.7242 -56.8926 -12.2586 -46.7655 -3.52018 -53.5437 -5.01708 1.9568 TIMING: 2746400 CPU: 8673.85, 0.00314161/step Wall: 8673.85, 0.00314161/step, 1.96665 hours remaining, 235.710938 MB of memory in use. ENERGY: 2746400 3978.8433 20483.2895 14479.4093 232.9609 -202910.7620 2351.4090 0.0000 0.0000 52063.8241 -109321.0259 299.2115 -161384.8500 -108966.0428 298.9706 -186.0607 -157.3770 761509.4623 -8.0408 -8.1659 PRESSURE: 2746600 -175.343 35.8072 -126.004 35.8078 139.458 103.378 -126.004 103.377 -23.4089 GPRESSURE: 2746600 -145.408 2.70852 -157.386 17.3062 182.191 36.3677 -77.7995 63.6197 -2.42168 PRESSAVG: 2746600 25.2718 -36.0375 -20.9503 -36.0375 -29.8807 13.2538 -20.9503 13.2537 -1.50147 GPRESSAVG: 2746600 26.0001 -37.0973 -19.6421 -35.3713 -31.5128 12.9782 -20.2323 15.4743 -0.777222 TIMING: 2746600 CPU: 8674.48, 0.00314476/step Wall: 8674.48, 0.00314476/step, 1.96845 hours remaining, 235.710938 MB of memory in use. ENERGY: 2746600 3962.8195 20298.7707 14476.7252 244.6949 -203021.6127 2742.6394 0.0000 0.0000 51976.6488 -109319.3141 298.7105 -161295.9629 -108955.2050 299.2436 -19.7647 11.4539 761579.9467 -2.0368 -2.0966 PRESSURE: 2746800 70.5747 59.7271 -24.9758 59.7261 108.554 -7.33411 -24.9761 -7.33295 -292.611 GPRESSURE: 2746800 34.7832 91.6801 -37.9947 43.0967 115.288 -27.9406 -178.969 58.1275 -181.638 PRESSAVG: 2746800 -4.98717 -29.8384 -40.247 -29.8383 50.3657 26.4583 -40.247 26.4583 -14.2646 GPRESSAVG: 2746800 -4.65344 -28.9156 -40.9007 -29.2496 50.1655 26.2928 -42.0602 26.6138 -14.0352 TIMING: 2746800 CPU: 8675.1, 0.00314069/step Wall: 8675.1, 0.00314069/step, 1.96573 hours remaining, 235.710938 MB of memory in use. ENERGY: 2746800 3984.0561 20334.1148 14442.5250 238.7315 -203439.9016 2829.4508 0.0000 0.0000 51983.0744 -109627.9490 298.7474 -161611.0235 -109274.1251 298.6490 -37.8275 -10.5221 762017.3449 10.3713 10.4923 PRESSURE: 2747000 307.421 6.15872 -41.8666 6.15859 69.8931 -93.7408 -41.8671 -93.7423 -0.184261 GPRESSURE: 2747000 314.188 -14.7459 -32.5251 -62.2467 143.024 -89.3223 35.6179 -65.6174 -2.37509 PRESSAVG: 2747000 5.51539 -23.775 3.62316 -23.775 -1.96539 -0.906643 3.62314 -0.906664 -17.5275 GPRESSAVG: 2747000 5.10552 -24.7831 4.93469 -25.1509 -1.40156 -0.279669 3.6513 -1.6697 -17.927 TIMING: 2747000 CPU: 8675.73, 0.00314716/step Wall: 8675.73, 0.00314716/step, 1.9696 hours remaining, 235.710938 MB of memory in use. ENERGY: 2747000 3980.5286 20348.9750 14483.9630 244.7929 -203076.4011 2560.9075 0.0000 0.0000 52017.0748 -109440.1593 298.9428 -161457.2342 -109081.3706 298.7569 125.7101 151.6125 761831.2792 -4.6592 -4.7410 PRESSURE: 2747200 -445.791 51.8134 -69.2692 51.8139 -188.264 340.522 -69.2689 340.522 -17.3714 GPRESSURE: 2747200 -391.584 -43.6455 -121.865 46.4078 -171.369 312.648 18.9481 248.755 8.57096 PRESSAVG: 2747200 8.14675 -33.548 -58.317 -33.548 22.0361 -34.3549 -58.3169 -34.3548 0.138366 GPRESSAVG: 2747200 7.91635 -31.3469 -59.701 -33.1026 22.1066 -34.6962 -54.8888 -34.0061 0.157973 TIMING: 2747200 CPU: 8676.36, 0.00314278/step Wall: 8676.36, 0.00314278/step, 1.96668 hours remaining, 235.710938 MB of memory in use. ENERGY: 2747200 4018.2067 20404.2487 14449.6243 229.5689 -202732.9571 2373.0298 0.0000 0.0000 51875.6280 -109382.6507 298.1299 -161258.2787 -109028.4625 298.7222 -217.1423 -184.7939 762357.0737 10.1071 10.0603 PRESSURE: 2747400 -129.357 6.9923 -27.6081 6.9923 -251.811 4.05045 -27.6084 4.05046 -113.26 GPRESSURE: 2747400 -177.907 65.0216 -11.5775 -45.7858 -168.735 -34.7676 -81.505 -140.732 -75.2971 PRESSAVG: 2747400 1.32818 -4.81227 -20.731 -4.81224 2.94993 -19.6581 -20.7309 -19.6581 4.11493 GPRESSAVG: 2747400 2.26477 -5.92817 -20.8371 -2.45148 1.49509 -19.7095 -23.7736 -21.7758 4.36172 TIMING: 2747400 CPU: 8676.99, 0.00313921/step Wall: 8676.99, 0.00313921/step, 1.96427 hours remaining, 235.710938 MB of memory in use. ENERGY: 2747400 3981.3888 20371.0357 14554.5779 256.3887 -203234.5788 2554.2050 0.0000 0.0000 52155.0119 -109361.9707 299.7356 -161516.9826 -108993.4563 299.0447 -164.8092 -140.6461 762570.0316 2.7977 2.7072 PRESSURE: 2747600 418.334 -51.9141 -19.9227 -51.9142 191.752 -87.1049 -19.9227 -87.1052 334.052 GPRESSURE: 2747600 467.126 -129.111 -106.64 69.2829 252.532 -56.4376 -100.354 -95.0905 305.743 PRESSAVG: 2747600 -10.4451 58.9792 -39.2527 58.9791 36.9107 45.6193 -39.2527 45.6192 15.2475 GPRESSAVG: 2747600 -10.8264 58.3301 -38.4948 55.7104 36.9956 45.2619 -38.8689 46.9261 15.3583 TIMING: 2747600 CPU: 8677.62, 0.00314964/step Wall: 8677.62, 0.00314964/step, 1.97062 hours remaining, 235.710938 MB of memory in use. ENERGY: 2747600 3968.9914 20484.4543 14528.2031 255.6462 -203138.5543 2550.9861 0.0000 0.0000 51926.7953 -109423.4779 298.4240 -161350.2732 -109069.2814 298.8011 314.7126 341.8003 761024.7787 13.9044 13.8425 PRESSURE: 2747800 39.0302 112.283 120.847 112.282 79.624 -162.346 120.847 -162.346 -83.3004 GPRESSURE: 2747800 56.4854 159.699 161.594 82.1165 96.6848 -180.954 141.811 34.6827 -34.3731 PRESSAVG: 2747800 -1.02372 25.5298 -79.3103 25.5298 4.94288 -12.0826 -79.3103 -12.0825 -5.07688 GPRESSAVG: 2747800 -1.40626 24.7348 -79.8782 25.6218 5.59582 -10.6535 -81.6586 -12.0776 -5.39319 TIMING: 2747800 CPU: 8678.25, 0.00313613/step Wall: 8678.25, 0.00313613/step, 1.962 hours remaining, 235.710938 MB of memory in use. ENERGY: 2747800 3989.9899 20575.8021 14526.1291 224.3085 -203026.6409 2339.0644 0.0000 0.0000 52054.1926 -109317.1543 299.1562 -161371.3469 -108959.6829 298.6140 11.7846 39.5990 760779.1110 -0.3859 -0.4012 PRESSURE: 2748000 -28.6813 -37.2267 -24.2872 -37.2269 182.234 -166.438 -24.2867 -166.439 8.34877 GPRESSURE: 2748000 1.24039 -8.93226 -3.52 -74.5881 228.157 -98.694 -107.947 -110.177 23.4493 PRESSAVG: 2748000 13.0503 -13.4053 -19.2991 -13.4053 45.591 -23.6033 -19.2991 -23.6033 -18.425 GPRESSAVG: 2748000 13.8741 -11.4671 -18.5129 -12.1684 45.6616 -24.0491 -17.6101 -23.1624 -19.0274 TIMING: 2748000 CPU: 8678.88, 0.00314913/step Wall: 8678.88, 0.00314913/step, 1.96996 hours remaining, 235.710938 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: 2748000 3995.3627 20693.1522 14481.2222 240.7579 -203158.5368 2719.0648 0.0000 0.0000 51911.3200 -109117.6570 298.3351 -161028.9770 -108764.1076 299.3498 53.9671 84.2823 762626.7381 13.4054 13.5028 PRESSURE: 2748200 197.668 -86.0379 115.88 -86.0378 245.644 329.396 115.881 329.396 23.609 GPRESSURE: 2748200 270.334 -104.472 124.255 -70.3267 260.699 348.146 162.898 127.636 20.8544 PRESSAVG: 2748200 28.8049 -54.9101 14.59 -54.9101 -48.9781 -4.94723 14.5901 -4.94722 12.8538 GPRESSAVG: 2748200 28.745 -54.7021 13.7357 -55.1615 -49.2295 -3.35561 15.0752 -3.22374 12.8788 TIMING: 2748200 CPU: 8679.51, 0.00314618/step Wall: 8679.51, 0.00314618/step, 1.96793 hours remaining, 235.710938 MB of memory in use. ENERGY: 2748200 3907.5436 20544.5170 14460.9042 247.8677 -203040.9620 2491.8121 0.0000 0.0000 52418.6579 -108969.6594 301.2507 -161388.3173 -108591.5703 299.6997 155.6404 183.9624 761665.8669 -2.4398 -2.5353 LDB: ============= START OF LOAD BALANCING ============== 8692.04 LDB: ============== END OF LOAD BALANCING =============== 8692.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8692.04 LDB: ============= START OF LOAD BALANCING ============== 8692.36 LDB: Largest compute 7065 load 0.031036 is 15.9% of average load 0.195471 LDB: Average compute 0.004373 is 2.2% of average load 0.195471 LDB: TIME 8692.36 LOAD: AVG 0.195471 MAX 0.214343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 8692.36 LOAD: AVG 0.195471 MAX 0.214343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: TIME 8692.36 LOAD: AVG 0.195471 MAX 0.214343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: ============== END OF LOAD BALANCING =============== 8692.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8692.37 PRESSURE: 2748400 -124.732 -22.6196 84.4041 -22.6201 -360.354 -125.268 84.404 -125.268 -650.852 GPRESSURE: 2748400 -163.991 -44.3284 48.045 -48.4711 -285.287 -82.8752 177.266 -70.6695 -599.44 PRESSAVG: 2748400 10.5889 -22.9921 21.5103 -22.9921 17.1898 -8.83305 21.5104 -8.83302 -32.7431 GPRESSAVG: 2748400 9.05491 -22.9488 22.2617 -24.0245 17.9328 -8.66831 21.1618 -10.4778 -32.1669 TIMING: 2748400 CPU: 8680.15, 0.00322733/step Wall: 8680.15, 0.00322733/step, 2.01851 hours remaining, 234.882812 MB of memory in use. ENERGY: 2748400 4041.9721 20579.5611 14437.8274 240.7297 -202392.7474 1968.0878 0.0000 0.0000 52238.0812 -108886.4880 300.2130 -161124.5693 -108530.0927 300.3723 -378.6461 -349.5725 761320.7167 -1.6548 -1.7264 PRESSURE: 2748600 -91.6788 -82.5672 134.739 -82.5677 73.438 -227.438 134.739 -227.438 161.681 GPRESSURE: 2748600 33.4674 -47.3529 68.9972 -29.1814 35.047 -163.906 212.991 -122.543 159.746 PRESSAVG: 2748600 -20.8669 -1.74533 5.13514 -1.7454 -28.4035 -52.1581 5.13519 -52.1581 -34.6559 GPRESSAVG: 2748600 -18.1803 -0.220034 4.52427 -2.21258 -29.463 -52.9291 6.04406 -51.7996 -35.0461 TIMING: 2748600 CPU: 8680.79, 0.00316331/step Wall: 8680.79, 0.00316331/step, 1.9783 hours remaining, 235.085938 MB of memory in use. ENERGY: 2748600 4003.5185 20650.6038 14418.3854 257.2042 -203033.2799 2515.0366 0.0000 0.0000 52391.4899 -108797.0416 301.0946 -161188.5315 -108436.3665 300.4197 47.8134 76.0868 761549.8829 -27.9754 -27.5631 PRESSURE: 2748800 364.756 -97.4599 -90.7991 -97.4597 -149.741 77.7029 -90.7985 77.7019 555.454 GPRESSURE: 2748800 404.579 -61.0433 -144.335 -126.814 -73.699 -35.3485 -30.3469 193.152 519.273 PRESSAVG: 2748800 27.3254 -66.2849 -3.25364 -66.285 -36.8188 13.9506 -3.25363 13.9507 -22.1898 GPRESSAVG: 2748800 25.4616 -68.423 -3.05143 -64.1018 -36.1435 14.6791 -5.31536 13.8018 -21.5315 TIMING: 2748800 CPU: 8681.42, 0.00315356/step Wall: 8681.42, 0.00315356/step, 1.97203 hours remaining, 235.085938 MB of memory in use. ENERGY: 2748800 4052.3246 20688.5836 14510.1995 244.4297 -203546.9472 2839.7025 0.0000 0.0000 52277.1156 -108934.5918 300.4373 -161211.7074 -108565.8315 300.2359 256.8232 283.3844 761343.5975 -10.5611 -10.7378 PRESSURE: 2749000 25.4693 -123.288 -102.643 -123.288 83.4152 90.7675 -102.644 90.7678 -119.444 GPRESSURE: 2749000 107.439 -161.046 -52.1487 -86.6806 6.0069 125.157 -27.7994 169.046 -34.456 PRESSAVG: 2749000 90.6527 -49.2318 -15.6752 -49.2318 -79.735 25.7131 -15.6753 25.7131 -3.75938 GPRESSAVG: 2749000 90.8811 -48.266 -14.8706 -50.5621 -80.2661 25.2046 -15.2402 27.7583 -4.19944 TIMING: 2749000 CPU: 8682.04, 0.00314123/step Wall: 8682.04, 0.00314123/step, 1.96414 hours remaining, 235.085938 MB of memory in use. ENERGY: 2749000 4035.7536 20681.6933 14550.5210 254.4523 -203047.2523 2534.4313 0.0000 0.0000 52052.5594 -108937.8414 299.1468 -160990.4009 -108593.0534 300.0671 -3.5198 26.3301 762943.3172 2.3861 2.1385 PRESSURE: 2749200 98.4048 -68.0185 -19.5282 -68.0179 -227.853 -39.3253 -19.5275 -39.3249 241.828 GPRESSURE: 2749200 210.558 -104.661 -4.73484 -25.8845 -197.277 -11.8287 33.9894 -80.0631 188.649 PRESSAVG: 2749200 24.4484 -17.0921 13.0088 -17.0921 -10.0882 9.49687 13.0089 9.49693 -5.29433 GPRESSAVG: 2749200 25.5647 -17.8736 10.0086 -17.583 -10.418 8.75644 15.1886 6.50967 -6.03493 TIMING: 2749200 CPU: 8682.68, 0.00315602/step Wall: 8682.68, 0.00315602/step, 1.97321 hours remaining, 235.085938 MB of memory in use. ENERGY: 2749200 4024.1026 20617.3923 14523.8127 238.3665 -202910.7301 2421.0453 0.0000 0.0000 52337.2451 -108748.7656 300.7829 -161086.0107 -108396.0860 300.3478 37.4600 67.3099 764827.6381 3.0220 3.0373 PRESSURE: 2749400 -240.453 -168.421 62.9926 -168.42 50.1261 -85.8526 62.9931 -85.8513 -28.8444 GPRESSURE: 2749400 -205.597 -105.425 73.3868 -155.326 61.6996 -95.9436 -18.5936 -136.409 -1.06765 PRESSAVG: 2749400 44.1805 -43.8557 42.399 -43.8557 -65.5341 13.3399 42.3991 13.34 -7.2161 GPRESSAVG: 2749400 43.1376 -43.3044 43.3399 -41.3206 -64.3782 13.8241 38.8631 13.5008 -7.58439 TIMING: 2749400 CPU: 8683.3, 0.0031438/step Wall: 8683.3, 0.0031438/step, 1.9654 hours remaining, 235.085938 MB of memory in use. ENERGY: 2749400 3978.1017 20629.7536 14502.2478 257.0831 -202938.5796 2512.7494 0.0000 0.0000 52341.2952 -108717.3488 300.8061 -161058.6440 -108344.9824 301.4740 -73.0570 -48.3217 761513.7731 -9.5232 -9.6083 PRESSURE: 2749600 -67.3773 162.299 102.951 162.299 -105.889 -120.22 102.952 -120.218 26.5584 GPRESSURE: 2749600 32.8508 -16.0179 99.6548 112.125 -98.4447 -125.023 126.13 -182.463 -3.16913 PRESSAVG: 2749600 3.25391 -9.01419 -19.7476 -9.01416 10.1726 -1.94292 -19.7476 -1.94294 -5.63521 GPRESSAVG: 2749600 3.1585 -9.36126 -18.911 -9.95259 8.68037 -2.00284 -16.0066 -1.4492 -4.67449 TIMING: 2749600 CPU: 8683.93, 0.00313036/step Wall: 8683.93, 0.00313036/step, 1.95682 hours remaining, 235.085938 MB of memory in use. ENERGY: 2749600 4024.2739 20707.9273 14479.2218 262.1486 -203148.3113 2543.3647 0.0000 0.0000 52333.4647 -108797.9103 300.7611 -161131.3750 -108428.4231 300.6887 -48.9027 -22.9210 760436.6337 2.5971 2.3881 PRESSURE: 2749800 -98.1681 -158.066 -225.926 -158.065 270.069 226.153 -225.927 226.153 475.762 GPRESSURE: 2749800 15.3468 -66.8901 -252.855 -233.867 306.466 216.051 -143.961 251.015 417.059 PRESSAVG: 2749800 -19.5094 -0.338765 27.4481 -0.33869 -20.5151 35.6609 27.448 35.6608 -7.28606 GPRESSAVG: 2749800 -19.5341 1.07075 27.8689 -0.540235 -20.4733 35.5305 28.0684 34.6082 -7.20329 TIMING: 2749800 CPU: 8684.56, 0.00314665/step Wall: 8684.56, 0.00314665/step, 1.96683 hours remaining, 235.085938 MB of memory in use. ENERGY: 2749800 3990.9082 20604.0338 14499.9953 255.3170 -203496.7745 2978.6640 0.0000 0.0000 52277.6855 -108890.1706 300.4406 -161167.8561 -108521.7458 300.5045 215.8877 246.2906 762148.1704 -15.7702 -15.7369 PRESSURE: 2750000 17.6724 -137.301 288.807 -137.302 255 -48.4093 288.807 -48.409 355.55 GPRESSURE: 2750000 107.154 -183.888 346.817 -206.591 226.482 -12.7453 230.936 -42.4451 373.656 PRESSAVG: 2750000 -12.464 29.1583 57.7069 29.1582 7.44095 -13.0636 57.7069 -13.0636 13.3899 GPRESSAVG: 2750000 -11.2945 27.7721 58.5159 28.7111 7.27806 -13.8448 55.8785 -10.4265 12.6402 TIMING: 2750000 CPU: 8685.19, 0.00315441/step Wall: 8685.19, 0.00315441/step, 1.97151 hours remaining, 235.085938 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: 2750000 4015.4361 20671.0605 14492.9913 236.6412 -203072.8736 2796.7399 0.0000 0.0000 52221.9210 -108638.0836 300.1201 -160860.0046 -108279.4052 300.5531 209.4077 235.7637 761867.7062 2.7890 2.8746 PRESSURE: 2750200 37.0643 -116.243 28.9721 -116.244 -36.14 -140.133 28.9714 -140.133 -118.425 GPRESSURE: 2750200 64.0115 -113.354 79.939 -141.371 -38.8223 -54.9029 190.132 -161.866 -45.4948 PRESSAVG: 2750200 10.6496 13.8277 30.0517 13.8277 -15.3589 33.1132 30.0517 33.1132 -6.02622 GPRESSAVG: 2750200 10.5003 13.4572 27.9135 14.5994 -14.1802 33.2298 28.5783 31.9143 -6.20557 TIMING: 2750200 CPU: 8685.82, 0.00313455/step Wall: 8685.82, 0.00313455/step, 1.95892 hours remaining, 235.289062 MB of memory in use. ENERGY: 2750200 3990.6932 20632.3095 14501.0173 251.7588 -202756.6295 2511.0119 0.0000 0.0000 52260.8398 -108608.9990 300.3438 -160869.8388 -108248.8280 300.6617 -39.1670 -6.7685 762793.2409 -3.5785 -3.2952 PRESSURE: 2750400 -232.318 41.0563 150.537 41.0555 202.741 202.816 150.537 202.817 83.9429 GPRESSURE: 2750400 -235.99 -79.1972 118.57 32.8669 295.944 200.886 190.802 17.7264 56.9759 PRESSAVG: 2750400 4.90998 -48.3388 59.0871 -48.3388 2.43573 31.1913 59.087 31.1913 21.4302 GPRESSAVG: 2750400 5.29058 -49.2973 59.5755 -48.0815 1.65865 31.7064 61.7276 28.802 21.6689 TIMING: 2750400 CPU: 8686.45, 0.0031433/step Wall: 8686.45, 0.0031433/step, 1.96421 hours remaining, 235.289062 MB of memory in use. ENERGY: 2750400 3977.9662 20503.0067 14503.2401 281.7316 -202869.8910 2602.2391 0.0000 0.0000 52462.4199 -108539.2873 301.5022 -161001.7072 -108167.5844 300.7950 18.1220 38.9767 762945.8363 9.5920 9.5394 PRESSURE: 2750600 -182.482 92.8166 -180.228 92.8161 -266.009 -88.2576 -180.228 -88.2573 -73.2459 GPRESSURE: 2750600 -72.2712 158.269 -181.889 65.5008 -250.964 -83.2513 -201.318 -77.2964 -123.546 PRESSAVG: 2750600 -16.449 -35.4809 5.19003 -35.4809 -14.1138 24.4539 5.19002 24.4539 -38.5935 GPRESSAVG: 2750600 -16.0175 -33.8824 6.28606 -36.2931 -14.7817 22.6494 3.51165 25.643 -38.0025 TIMING: 2750600 CPU: 8687.07, 0.00314286/step Wall: 8687.07, 0.00314286/step, 1.96377 hours remaining, 235.289062 MB of memory in use. ENERGY: 2750600 3972.8280 20645.1789 14513.7688 252.1687 -203347.2472 2568.3857 0.0000 0.0000 52577.8570 -108817.0601 302.1657 -161394.9171 -108461.5209 300.9661 -173.9121 -148.9272 762762.9366 -23.0521 -22.9339 PRESSURE: 2750800 -123.104 -122.582 65.7476 -122.581 -59.6684 -0.598949 65.7479 -0.598891 10.3007 GPRESSURE: 2750800 -124.043 -159.871 7.39892 35.3551 -72.7203 155.24 135.943 -24.479 111.763 PRESSAVG: 2750800 44.9976 14.4746 7.61286 14.4746 -36.7708 24.2713 7.61291 24.2713 -7.51541 GPRESSAVG: 2750800 43.7932 12.813 5.94844 15.1834 -36.1166 26.679 9.22343 24.0716 -6.56341 TIMING: 2750800 CPU: 8687.7, 0.00312901/step Wall: 8687.7, 0.00312901/step, 1.95494 hours remaining, 235.289062 MB of memory in use. ENERGY: 2750800 3892.6437 20651.2213 14540.3068 248.1302 -202911.1279 2552.4030 0.0000 0.0000 52401.9367 -108624.4863 301.1547 -161026.4230 -108265.8052 300.7173 -57.4906 -28.3337 762283.7884 0.2371 0.3711 PRESSURE: 2751000 -110.141 48.5864 26.1993 48.5867 -155.017 -101.738 26.2 -101.738 235.15 GPRESSURE: 2751000 43.5447 19.4389 82.1305 32.7927 -170.193 -87.7471 61.9051 -174.656 177.501 PRESSAVG: 2751000 50.3977 41.9213 22.2591 41.9213 -24.3889 9.11359 22.2591 9.11355 -1.40217 GPRESSAVG: 2751000 51.3899 44.2714 23.1288 41.8067 -23.3267 10.6218 21.9104 8.44707 -3.35001 TIMING: 2751000 CPU: 8688.33, 0.00312972/step Wall: 8688.33, 0.00312972/step, 1.95521 hours remaining, 235.289062 MB of memory in use. ENERGY: 2751000 3995.5199 20511.9055 14492.6861 254.5615 -202667.8889 2605.1126 0.0000 0.0000 52162.6375 -108645.4659 299.7794 -160808.1034 -108273.9705 300.4467 -10.0028 16.9511 762326.4919 8.2022 8.2377 PRESSURE: 2751200 264.078 -118.345 46.0625 -118.345 -122.283 107.245 46.0623 107.246 -324.247 GPRESSURE: 2751200 280.895 -185.151 48.5665 -105.405 -88.0483 95.0273 32.3678 48.2567 -308.052 PRESSAVG: 2751200 27.8665 -17.8613 -15.1349 -17.8613 -18.5926 25.5262 -15.1349 25.5263 16.7353 GPRESSAVG: 2751200 27.9949 -18.1771 -14.4698 -19.9744 -18.7316 23.9022 -15.8052 24.2602 17.0298 TIMING: 2751200 CPU: 8688.95, 0.00313572/step Wall: 8688.95, 0.00313572/step, 1.95878 hours remaining, 235.289062 MB of memory in use. ENERGY: 2751200 3990.2376 20670.3808 14520.4937 244.1642 -202927.6982 2610.7948 0.0000 0.0000 52468.1668 -108423.4605 301.5353 -160891.6272 -108064.2794 300.9855 -60.8172 -38.4021 763397.1657 8.6697 8.7644 PRESSURE: 2751400 -319.932 142.14 -188.932 142.141 199.589 -14.5275 -188.931 -14.5276 -365.756 GPRESSURE: 2751400 -261.773 108.206 -205.045 100.702 216.702 52.7582 -186.739 25.4772 -361.204 PRESSAVG: 2751400 -15.8457 18.5731 -20.2553 18.5731 33.3907 -49.1222 -20.2554 -49.1222 1.66893 GPRESSAVG: 2751400 -15.7717 19.0445 -21.6141 18.5779 34.0002 -47.9987 -21.4486 -45.9872 1.14516 TIMING: 2751400 CPU: 8689.58, 0.00314441/step Wall: 8689.58, 0.00314441/step, 1.96403 hours remaining, 235.289062 MB of memory in use. ENERGY: 2751400 4037.5092 20667.1292 14503.1895 246.1364 -202882.2588 2608.5413 0.0000 0.0000 52329.0126 -108490.7407 300.7356 -160819.7533 -108124.3104 301.5808 -162.0329 -135.4251 763673.8312 6.4046 6.4579 PRESSURE: 2751600 -99.38 46.1762 227.327 46.1752 -102.835 177.858 227.327 177.857 -348.426 GPRESSURE: 2751600 -90.2689 79.5423 204.425 -83.5216 -94.4629 89.2705 233.446 67.0877 -287.889 PRESSAVG: 2751600 -54.2045 51.6286 6.1629 51.6285 66.3598 0.379801 6.16282 0.379857 29.3903 GPRESSAVG: 2751600 -54.4508 49.3381 5.61877 52.6555 64.765 -2.58485 8.53699 0.589441 30.7776 TIMING: 2751600 CPU: 8690.21, 0.00316086/step Wall: 8690.21, 0.00316086/step, 1.97414 hours remaining, 235.289062 MB of memory in use. ENERGY: 2751600 3990.7831 20476.3081 14467.4644 256.8783 -202570.8438 2006.8080 0.0000 0.0000 52660.2550 -108712.3468 302.6392 -161372.6019 -108340.1760 301.3969 -183.5472 -157.5404 762968.6058 13.8485 13.6973 PRESSURE: 2751800 38.7021 -117.943 -170.581 -117.943 58.9348 -260.327 -170.581 -260.326 486.525 GPRESSURE: 2751800 83.6822 -0.668508 -272.071 73.2138 114.677 -148.906 -124.188 -195.513 455.962 PRESSAVG: 2751800 -2.40988 22.8072 -13.0799 22.8073 39.615 34.3671 -13.0799 34.3671 2.56158 GPRESSAVG: 2751800 -3.36461 25.9703 -10.9689 23.024 41.1116 35.7935 -14.1051 33.5078 1.50711 TIMING: 2751800 CPU: 8690.84, 0.00314459/step Wall: 8690.84, 0.00314459/step, 1.9638 hours remaining, 235.355469 MB of memory in use. ENERGY: 2751800 3945.3277 20426.5261 14445.8198 264.7196 -202586.0345 2495.1962 0.0000 0.0000 52320.8864 -108687.5586 300.6889 -161008.4450 -108315.1849 300.4559 194.7207 218.1072 763200.7024 13.2556 13.0847 PRESSURE: 2752000 178.48 -13.3816 -191.804 -13.3815 152.654 -163.183 -191.804 -163.182 38.457 GPRESSURE: 2752000 249.52 -49.5494 -191.557 -109.229 220.522 -89.3254 -96.8717 -174.543 -10.5492 PRESSAVG: 2752000 14.9347 2.81878 -6.9046 2.81875 43.9048 -7.12569 -6.90463 -7.12569 20.5667 GPRESSAVG: 2752000 14.9147 0.216084 -9.50621 2.91419 44.977 -7.7377 -7.45384 -5.48081 19.1591 TIMING: 2752000 CPU: 8691.46, 0.00310807/step Wall: 8691.46, 0.00310807/step, 1.94082 hours remaining, 235.355469 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: 2752000 4023.2857 20461.0489 14498.3237 234.6121 -202969.1830 2747.0829 0.0000 0.0000 52242.5804 -108762.2493 300.2388 -161004.8297 -108396.7269 300.2834 123.1969 153.1641 763056.6395 26.4687 26.3502 PRESSURE: 2752200 -184.264 -105.407 -99.8694 -105.407 236.295 172.415 -99.8691 172.414 -257.435 GPRESSURE: 2752200 -106.053 -173.042 -100.196 -34.3819 232.389 189.997 -52.014 161.899 -254.672 PRESSAVG: 2752200 -51.9844 -20.0171 -19.0594 -20.0171 72.0772 39.2887 -19.0593 39.2888 -0.0155832 GPRESSAVG: 2752200 -52.5992 -17.2926 -19.7913 -19.2824 70.1871 37.9017 -17.3131 37.3135 2.08563 TIMING: 2752200 CPU: 8692.09, 0.00313299/step Wall: 8692.09, 0.00313299/step, 1.95621 hours remaining, 235.355469 MB of memory in use. ENERGY: 2752200 3980.9054 20693.7608 14402.3716 260.7089 -202916.2315 2743.4733 0.0000 0.0000 52154.0399 -108680.9716 299.7300 -160835.0115 -108320.2924 300.3085 -68.4679 -42.7787 763760.6245 6.6924 6.5578 LDB: ============= START OF LOAD BALANCING ============== 8704.62 LDB: ============== END OF LOAD BALANCING =============== 8704.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8704.62 LDB: ============= START OF LOAD BALANCING ============== 8704.94 LDB: Largest compute 7066 load 0.031415 is 16.1% of average load 0.195469 LDB: Average compute 0.004393 is 2.2% of average load 0.195469 LDB: TIME 8704.94 LOAD: AVG 0.195469 MAX 0.220448 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 8704.94 LOAD: AVG 0.195469 MAX 0.220448 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: TIME 8704.94 LOAD: AVG 0.195469 MAX 0.215128 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: ============== END OF LOAD BALANCING =============== 8704.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8704.95 PRESSURE: 2752400 -81.8575 59.1239 -260.277 59.1239 -228.726 154.627 -260.277 154.626 -57.4967 GPRESSURE: 2752400 -24.2641 18.7948 -205.815 -0.240876 -178.825 150.668 -95.9964 215.56 -85.5618 PRESSAVG: 2752400 -62.2293 -20.3967 -31.8136 -20.3967 71.7769 -8.44606 -31.8137 -8.44616 6.83753 GPRESSAVG: 2752400 -61.7462 -22.6161 -29.5997 -20.5759 71.876 -4.72827 -32.9162 -10.8185 5.20445 TIMING: 2752400 CPU: 8692.73, 0.00321415/step Wall: 8692.73, 0.00321415/step, 2.0067 hours remaining, 234.882812 MB of memory in use. ENERGY: 2752400 4113.3706 20526.2578 14463.5369 246.4279 -202839.3609 2594.4734 0.0000 0.0000 52241.7161 -108653.5782 300.2339 -160895.2942 -108296.4255 300.3413 -122.6935 -96.2169 764969.0877 5.4617 5.1114 PRESSURE: 2752600 171.66 25.1212 202.79 25.1214 151.522 -128.643 202.79 -128.643 -115.748 GPRESSURE: 2752600 280.5 130.559 232.558 97.9167 136.659 -58.2132 180.579 -91.1617 -142.688 PRESSAVG: 2752600 -12.8157 -0.268925 36.9348 -0.268946 48.5684 -13.7064 36.9348 -13.7063 -14.6342 GPRESSAVG: 2752600 -12.2024 0.695028 35.6413 0.641753 47.9977 -16.9498 36.9505 -11.468 -14.6886 TIMING: 2752600 CPU: 8693.36, 0.00312828/step Wall: 8693.36, 0.00312828/step, 1.95292 hours remaining, 234.882812 MB of memory in use. ENERGY: 2752600 3984.2248 20596.4108 14483.9766 253.6366 -203261.8079 2771.3848 0.0000 0.0000 52185.9796 -108986.1948 299.9135 -161172.1744 -108621.5235 300.1319 69.1446 91.4904 761039.6315 7.0395 7.0356 PRESSURE: 2752800 -23.4528 32.3906 21.7176 32.3909 146.136 -52.9682 21.718 -52.9678 62.8702 GPRESSURE: 2752800 -27.4887 -9.79066 12.5909 136.311 247.173 -79.609 161.508 -45.1408 45.6536 PRESSAVG: 2752800 25.8025 -2.10741 -4.17264 -2.10735 17.8397 -12.6513 -4.17271 -12.6514 -14.5632 GPRESSAVG: 2752800 25.8749 -2.91512 -3.50036 -0.0300974 16.4059 -12.9341 -4.73471 -11.4245 -13.2584 TIMING: 2752800 CPU: 8693.99, 0.00314154/step Wall: 8693.99, 0.00314154/step, 1.96102 hours remaining, 234.882812 MB of memory in use. ENERGY: 2752800 4063.2361 20600.6275 14465.9158 245.4247 -203091.8204 2573.4911 0.0000 0.0000 52143.1516 -108999.9736 299.6674 -161143.1252 -108640.1894 300.1992 61.8512 88.4460 761611.3013 9.6930 9.6742 PRESSURE: 2753000 -95.0662 -101.312 -112.037 -101.311 -255.751 189.08 -112.037 189.078 -171.558 GPRESSURE: 2753000 -92.7841 -97.2225 -125.261 -108.638 -202.005 240.653 -81.2675 271.019 -121.198 PRESSAVG: 2753000 -50.7883 10.0434 -57.3875 10.0434 55.0324 -63.5798 -57.3875 -63.5797 -0.0241233 GPRESSAVG: 2753000 -51.9099 8.52454 -56.7064 10.3393 56.8304 -62.7894 -60.0119 -64.3052 -0.779423 TIMING: 2753000 CPU: 8694.62, 0.00314727/step Wall: 8694.62, 0.00314727/step, 1.96442 hours remaining, 234.882812 MB of memory in use. ENERGY: 2753000 4038.6294 20473.4347 14436.8853 267.1939 -202659.2117 2249.8786 0.0000 0.0000 51920.7697 -109272.4202 298.3894 -161193.1899 -108907.9732 299.8177 -174.1253 -138.6624 763053.8363 1.4066 1.3803 PRESSURE: 2753200 95.8785 5.18456 -115.837 5.18515 -199.705 -153.313 -115.838 -153.312 -165.426 GPRESSURE: 2753200 101.058 16.2399 -202.76 73.3036 -75.7188 -190.292 -180.691 -104.749 -204.083 PRESSAVG: 2753200 -41.9458 39.1331 4.94939 39.1331 14.8047 -15.6851 4.94942 -15.685 -5.71763 GPRESSAVG: 2753200 -40.4836 40.8076 5.68325 36.1374 14.3868 -15.2885 4.75444 -15.6329 -6.75587 TIMING: 2753200 CPU: 8695.24, 0.0031349/step Wall: 8695.24, 0.0031349/step, 1.95652 hours remaining, 234.882812 MB of memory in use. ENERGY: 2753200 4013.2353 20511.1209 14477.3376 252.7542 -203184.6138 2502.9174 0.0000 0.0000 52034.1463 -109393.1020 299.0410 -161427.2483 -109039.4319 298.9394 -89.7510 -59.5814 762849.2583 -10.9529 -10.9509 PRESSURE: 2753400 211.296 197.189 51.1721 197.19 -58.6176 -2.9355 51.172 -2.93545 311.825 GPRESSURE: 2753400 245.557 293.625 18.8328 74.2782 6.29804 -89.4317 3.94147 11.5128 290.996 PRESSAVG: 2753400 -15.4255 36.415 2.71241 36.415 3.30071 -22.4236 2.71238 -22.4235 -1.25996 GPRESSAVG: 2753400 -16.9458 34.5871 2.40988 37.0522 4.34032 -23.1437 5.65542 -22.6612 -0.166346 TIMING: 2753400 CPU: 8695.87, 0.00314176/step Wall: 8695.87, 0.00314176/step, 1.96063 hours remaining, 234.882812 MB of memory in use. ENERGY: 2753400 3968.6063 20523.4620 14454.0831 244.7060 -203670.9434 2846.7832 0.0000 0.0000 52086.9049 -109546.3978 299.3442 -161633.3027 -109184.4913 298.6247 154.8344 180.9503 763342.3678 -4.4616 -4.2573 PRESSURE: 2753600 -396.766 76.0562 156.861 76.0573 -301.078 75.8893 156.861 75.8897 -126.693 GPRESSURE: 2753600 -304.72 150.11 294.47 127.003 -281.655 12.8519 85.0836 114.332 -141.186 PRESSAVG: 2753600 7.59214 17.0732 39.0803 17.0731 38.3791 -20.1914 39.0803 -20.1914 -24.6045 GPRESSAVG: 2753600 8.40135 20.0137 37.5058 17.109 37.2758 -18.5521 38.9103 -17.9322 -24.3259 TIMING: 2753600 CPU: 8696.51, 0.00317092/step Wall: 8696.51, 0.00317092/step, 1.97865 hours remaining, 234.882812 MB of memory in use. ENERGY: 2753600 4075.1778 20475.6940 14454.6704 248.9103 -203479.5017 2579.6314 0.0000 0.0000 52061.5599 -109583.8579 299.1985 -161645.4178 -109214.8196 299.2113 -274.8456 -242.5204 761182.3033 7.1222 7.1171 PRESSURE: 2753800 248.716 7.57416 72.2201 7.57369 178.377 -85.3551 72.2181 -85.3558 120.359 GPRESSURE: 2753800 287.264 106.47 30.4872 -32.6826 146.805 -70.239 161.667 -102.046 179.574 PRESSAVG: 2753800 0.587224 38.19 22.1925 38.19 10.0878 -30.0007 22.1924 -30.0007 -8.82999 GPRESSAVG: 2753800 0.159383 39.4472 23.8475 38.001 9.83861 -30.0149 21.69 -31.6566 -8.31942 TIMING: 2753800 CPU: 8697.13, 0.00313695/step Wall: 8697.13, 0.00313695/step, 1.95728 hours remaining, 234.882812 MB of memory in use. ENERGY: 2753800 4060.0521 20438.0346 14459.5639 241.6956 -203666.0441 2844.7295 0.0000 0.0000 51918.3800 -109703.5885 298.3756 -161621.9685 -109345.4387 298.7697 182.4839 204.5476 760679.8867 0.6150 0.5595 PRESSURE: 2754000 -344.307 63.2631 66.9795 63.2639 -95.5892 -101.083 66.9783 -101.084 -164.012 GPRESSURE: 2754000 -417.627 -0.962263 37.6292 53.5024 87.0096 -96.8533 32.3709 -136.349 -210.641 PRESSAVG: 2754000 30.4636 7.83987 12.636 7.83989 18.2324 -38.5488 12.6359 -38.5488 19.1124 GPRESSAVG: 2754000 30.0396 4.57407 12.4785 9.36011 19.3354 -38.8091 11.8639 -38.456 18.5516 TIMING: 2754000 CPU: 8697.76, 0.00313273/step Wall: 8697.76, 0.00313273/step, 1.95448 hours remaining, 234.882812 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: 2754000 3999.8627 20416.8561 14427.7625 233.6931 -203354.1506 2486.5086 0.0000 0.0000 51976.3497 -109813.1180 298.7088 -161789.4677 -109453.6634 298.4348 -201.3027 -180.4196 762178.6160 22.6028 22.6422 PRESSURE: 2754200 -264.07 60.0308 -85.8969 60.0316 -38.0276 -219.858 -85.8972 -219.858 14.0991 GPRESSURE: 2754200 -237.609 -13.9442 -62.7418 128.821 5.05748 -141.42 42.9598 -188.487 37.362 PRESSAVG: 2754200 29.2932 -25.4175 -8.86815 -25.4175 -22.912 -40.8151 -8.86814 -40.8151 -3.03493 GPRESSAVG: 2754200 28.867 -25.026 -7.96989 -25.5111 -24.1206 -40.4792 -7.30381 -41.2468 -1.88901 TIMING: 2754200 CPU: 8698.39, 0.003125/step Wall: 8698.39, 0.003125/step, 1.94948 hours remaining, 234.882812 MB of memory in use. ENERGY: 2754200 4048.0417 20590.6312 14471.2126 244.7450 -203575.8955 2820.0730 0.0000 0.0000 51714.2270 -109686.9650 297.2024 -161401.1920 -109339.7007 297.7284 -95.9996 -65.0631 761119.0889 1.1154 0.9524 PRESSURE: 2754400 -276.963 194.071 14.7134 194.071 -183.795 -135.931 14.7122 -135.931 -179.63 GPRESSURE: 2754400 -193.632 133.443 40.2303 155.709 -116.425 -218.047 79.9433 -18.0868 -237.353 PRESSAVG: 2754400 57.3197 30.4313 -7.73407 30.4313 -68.7312 9.23404 -7.73404 9.234 19.0267 GPRESSAVG: 2754400 57.8346 30.6227 -10.1593 29.2172 -68.818 10.1258 -8.11365 8.82074 18.3758 TIMING: 2754400 CPU: 8699.01, 0.00312765/step Wall: 8699.01, 0.00312765/step, 1.95096 hours remaining, 234.882812 MB of memory in use. ENERGY: 2754400 4053.7901 20494.4838 14453.6247 243.8724 -203215.0115 2523.0408 0.0000 0.0000 52077.4599 -109368.7399 299.2899 -161446.1997 -109001.7005 299.1634 -213.4624 -182.4702 762704.6608 2.5384 2.4642 PRESSURE: 2754600 74.0651 -47.8459 63.0263 -47.8464 242.023 -71.3832 63.026 -71.3831 323.129 GPRESSURE: 2754600 190.94 -56.8386 7.62902 -14.0983 238.212 -12.6843 -74.4767 -47.9444 291.086 PRESSAVG: 2754600 116.515 43.3361 22.5782 43.3361 -65.4547 -63.1173 22.5781 -63.1174 11.096 GPRESSAVG: 2754600 117.631 43.8096 23.1176 43.5027 -65.5571 -64.8135 22.2208 -63.2806 10.0313 TIMING: 2754600 CPU: 8699.64, 0.00313858/step Wall: 8699.64, 0.00313858/step, 1.9576 hours remaining, 234.882812 MB of memory in use. ENERGY: 2754600 3962.7742 20523.6540 14392.1859 228.8675 -203714.0595 2869.8541 0.0000 0.0000 52091.0207 -109645.7031 299.3678 -161736.7239 -109286.3374 299.0910 213.0726 240.0791 760968.8393 20.7186 20.7017 PRESSURE: 2754800 -221.007 -91.7765 -26.1723 -91.7765 -112.144 -90.5404 -26.1725 -90.5393 -74.0198 GPRESSURE: 2754800 -106.319 -68.1292 -4.27225 11.1708 -157.349 -187.547 -81.6329 -57.2751 -66.4993 PRESSAVG: 2754800 43.957 -27.4436 19.3258 -27.4436 -39.2065 -3.69471 19.3258 -3.69472 -2.15246 GPRESSAVG: 2754800 44.2275 -27.271 19.3699 -26.2631 -40.7699 -2.95434 18.2336 -2.38352 -0.725518 TIMING: 2754800 CPU: 8700.27, 0.00314751/step Wall: 8700.27, 0.00314751/step, 1.963 hours remaining, 234.882812 MB of memory in use. ENERGY: 2754800 4027.9684 20559.4523 14380.5803 254.8205 -203072.6307 2392.0889 0.0000 0.0000 52053.4456 -109404.2747 299.1519 -161457.7203 -109045.6798 298.9182 -135.7234 -110.0560 761881.2672 0.8660 0.9107 PRESSURE: 2755000 -318.995 16.8464 35.2559 16.8465 -548.178 -107.181 35.2557 -107.182 -658.251 GPRESSURE: 2755000 -370.081 60.9606 38.8 -48.0987 -454.517 -120.234 140.605 -53.9831 -628.35 PRESSAVG: 2755000 59.2132 -13.456 25.8328 -13.456 -34.0105 -35.0698 25.8329 -35.0699 -22.2263 GPRESSAVG: 2755000 56.5747 -12.8851 25.514 -14.8972 -33.1168 -35.213 28.9901 -36.8857 -21.3148 TIMING: 2755000 CPU: 8700.9, 0.0031589/step Wall: 8700.9, 0.0031589/step, 1.96993 hours remaining, 234.882812 MB of memory in use. ENERGY: 2755000 4031.8617 20614.7027 14413.9803 233.7896 -202882.2634 2223.4360 0.0000 0.0000 52024.1999 -109340.2932 298.9838 -161364.4931 -108971.9550 299.2838 -508.4746 -484.3159 762235.1084 0.9921 0.7144 PRESSURE: 2755200 -93.624 -10.6098 19.1814 -10.6106 89.2806 65.8607 19.1813 65.8617 -8.27081 GPRESSURE: 2755200 20.0877 -44.6736 -44.8963 -69.1305 12.0736 83.0203 -40.884 40.7161 37.2628 PRESSAVG: 2755200 16.0364 -84.101 16.1841 -84.1009 -8.39678 -12.2571 16.1841 -12.2571 -26.627 GPRESSAVG: 2755200 16.5832 -85.3993 15.3388 -83.4561 -7.22508 -12.4439 14.9556 -11.3333 -27.4946 TIMING: 2755200 CPU: 8701.53, 0.00314275/step Wall: 8701.53, 0.00314275/step, 1.95968 hours remaining, 234.882812 MB of memory in use. ENERGY: 2755200 4006.9336 20445.2182 14393.6699 270.3159 -203501.4854 2730.3506 0.0000 0.0000 52182.9007 -109472.0963 299.8958 -161654.9970 -109105.7002 299.6025 -4.2047 23.1414 760569.8147 -6.3292 -6.0455 PRESSURE: 2755400 -227.001 -52.5327 -15.9815 -52.5335 -471.887 -94.3322 -15.9821 -94.3327 228.033 GPRESSURE: 2755400 -182.27 -157.625 -49.0234 45.4015 -416.893 -90.347 127.291 33.4322 209.007 PRESSAVG: 2755400 41.5161 12.591 -13.2473 12.591 -55.0045 8.63057 -13.2472 8.63053 -6.35099 GPRESSAVG: 2755400 41.7148 14.5262 -12.0351 12.3046 -56.1798 9.74785 -12.8417 8.10956 -5.30589 TIMING: 2755400 CPU: 8702.16, 0.00313724/step Wall: 8702.16, 0.00313724/step, 1.95607 hours remaining, 234.882812 MB of memory in use. ENERGY: 2755400 3969.5990 20489.6192 14423.8031 244.0652 -203110.0376 2379.2845 0.0000 0.0000 52200.3405 -109403.3261 299.9961 -161603.6666 -109039.2076 299.7135 -156.9521 -130.0521 761431.5506 -6.6131 -6.5903 PRESSURE: 2755600 9.79877 -10.1501 90.5522 -10.1504 -125.917 172.279 90.5524 172.279 384.754 GPRESSURE: 2755600 95.6147 10.466 53.074 -25.8938 -74.1372 115.352 62.4799 237.07 344.527 PRESSAVG: 2755600 76.0713 29.1215 19.0007 29.1214 -53.5076 -53.4578 19.0007 -53.4578 9.92235 GPRESSAVG: 2755600 76.2705 28.8237 18.8591 27.4162 -52.414 -54.9579 18.1605 -52.5923 8.51543 TIMING: 2755600 CPU: 8702.78, 0.00313556/step Wall: 8702.78, 0.00313556/step, 1.95485 hours remaining, 234.882812 MB of memory in use. ENERGY: 2755600 4006.7105 20579.8663 14404.1909 243.1038 -203479.8071 2727.6396 0.0000 0.0000 52129.3339 -109388.9621 299.5880 -161518.2960 -109018.9638 299.2208 89.5454 122.0014 761040.7261 10.8287 10.7906 PRESSURE: 2755800 171.715 -27.6914 -134.214 -27.6907 -367.721 -151.663 -134.215 -151.663 -142.058 GPRESSURE: 2755800 266.897 12.7519 -123.086 51.2168 -424.293 -126.996 -209.665 53.0083 -83.6847 PRESSAVG: 2755800 18.0577 39.9449 51.0698 39.9448 10.4144 26.0219 51.0697 26.0219 19.8398 GPRESSAVG: 2755800 18.7932 38.1593 51.3613 43.3921 9.24009 27.4439 50.2199 26.2306 20.7063 TIMING: 2755800 CPU: 8703.41, 0.0031557/step Wall: 8703.41, 0.0031557/step, 1.96723 hours remaining, 234.882812 MB of memory in use. ENERGY: 2755800 3973.6228 20412.4954 14477.9686 253.1953 -203196.9614 2516.4364 0.0000 0.0000 52078.7432 -109484.4997 299.2973 -161563.2429 -109122.4659 298.7751 -112.6879 -80.3602 760894.6457 16.1040 16.2465 PRESSURE: 2756000 -18.9161 77.0771 -61.9739 77.0761 10.9459 146.085 -61.9736 146.086 40.447 GPRESSURE: 2756000 -72.2487 64.0183 -172.073 64.9649 208.9 143.003 33.2413 -39.7803 -26.7102 PRESSAVG: 2756000 1.43273 -0.275812 -2.89631 -0.275875 -9.0002 35.9779 -2.89626 35.9779 -20.8851 GPRESSAVG: 2756000 -0.213026 -0.182542 -4.1745 -0.616165 -7.31489 35.458 -0.992091 34.4412 -21.1712 TIMING: 2756000 CPU: 8704.05, 0.00315108/step Wall: 8704.05, 0.00315108/step, 1.96417 hours remaining, 234.882812 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: 2756000 3979.6804 20604.0029 14358.0167 220.3648 -203153.0461 2326.4527 0.0000 0.0000 52036.7043 -109627.8243 299.0557 -161664.5287 -109278.9564 298.8900 10.8256 36.6472 761566.5402 -9.4842 -9.5664 PRESSURE: 2756200 120.581 -71.6226 186.838 -71.6227 298.047 169.874 186.838 169.874 333.518 GPRESSURE: 2756200 219.728 -145.112 170.419 0.734771 308.713 127.887 46.167 193.265 336.127 PRESSAVG: 2756200 -19.1915 -22.0114 -98.6762 -22.0114 8.13272 69.0991 -98.6762 69.0991 0.98035 GPRESSAVG: 2756200 -18.958 -20.9786 -96.5843 -23.7382 7.4446 69.0526 -100.941 70.3435 1.25569 TIMING: 2756200 CPU: 8704.68, 0.00316092/step Wall: 8704.68, 0.00316092/step, 1.97013 hours remaining, 234.882812 MB of memory in use. ENERGY: 2756200 4017.7756 20318.8960 14462.3310 266.7425 -203420.4634 2765.5976 0.0000 0.0000 51799.3380 -109789.7828 297.6915 -161589.1207 -109423.4484 298.3945 250.7151 288.1896 759888.9994 -3.3595 -3.4192 LDB: ============= START OF LOAD BALANCING ============== 8717.21 LDB: ============== END OF LOAD BALANCING =============== 8717.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8717.21 LDB: ============= START OF LOAD BALANCING ============== 8717.53 LDB: Largest compute 7075 load 0.032840 is 16.8% of average load 0.195639 LDB: Average compute 0.004374 is 2.2% of average load 0.195639 LDB: TIME 8717.53 LOAD: AVG 0.195639 MAX 0.224557 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.367 MB LDB: TIME 8717.53 LOAD: AVG 0.195639 MAX 0.224557 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: TIME 8717.53 LOAD: AVG 0.195639 MAX 0.218149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: ============== END OF LOAD BALANCING =============== 8717.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8717.54 PRESSURE: 2756400 78.2967 183.365 -4.05474 183.365 -82.1766 222.133 -4.05507 222.133 434.231 GPRESSURE: 2756400 144.086 183.463 -74.8786 63.0356 -93.9689 193.776 2.87848 107.066 471.291 PRESSAVG: 2756400 40.285 14.3649 10.1645 14.3649 2.03226 48.5651 10.1645 48.5651 -9.77301 GPRESSAVG: 2756400 40.7664 11.1855 6.94546 15.8979 0.666566 48.0842 11.7261 45.934 -9.34677 TIMING: 2756400 CPU: 8705.32, 0.00321339/step Wall: 8705.32, 0.00321339/step, 2.00265 hours remaining, 234.679688 MB of memory in use. ENERGY: 2756400 3890.7967 20421.8661 14444.0669 251.0380 -203265.3946 2553.9286 0.0000 0.0000 51862.6426 -109841.0557 298.0553 -161703.6983 -109488.3145 297.8123 143.4503 173.8026 761865.6697 10.8481 10.6954 PRESSURE: 2756600 -102.549 -221.714 45.4562 -221.713 -13.5074 -144.453 45.4562 -144.454 -57.92 GPRESSURE: 2756600 -139.006 -15.4119 21.8941 -309.565 59.9804 -149.282 46.6388 -71.6838 -16.7764 PRESSAVG: 2756600 11.5817 5.24894 30.3774 5.24887 -7.56972 34.4067 30.3773 34.4067 4.18111 GPRESSAVG: 2756600 10.9171 8.59728 30.4169 3.77041 -7.67319 33.6728 30.503 35.9866 5.00566 TIMING: 2756600 CPU: 8705.95, 0.00315651/step Wall: 8705.95, 0.00315651/step, 1.96703 hours remaining, 235.199219 MB of memory in use. ENERGY: 2756600 3898.4823 20561.0912 14505.4423 233.8471 -203750.2212 2702.8330 0.0000 0.0000 52031.5256 -109816.9998 299.0259 -161848.5254 -109446.1809 298.4851 -57.9920 -31.9342 761218.7318 2.7310 2.7499 PRESSURE: 2756800 590.884 -12.4197 49.874 -12.4201 168.995 194.721 49.8746 194.721 181.111 GPRESSURE: 2756800 503.891 -44.7659 12.2286 -26.427 280.772 116.88 39.3064 116.752 238.794 PRESSAVG: 2756800 1.34207 -25.8827 45.3918 -25.8827 -43.7133 59.8469 45.3919 59.8469 4.88366 GPRESSAVG: 2756800 -0.493481 -26.8259 47.9591 -26.192 -41.5816 60.4267 44.3266 60.5982 4.43292 TIMING: 2756800 CPU: 8706.58, 0.00315704/step Wall: 8706.58, 0.00315704/step, 1.96719 hours remaining, 235.199219 MB of memory in use. ENERGY: 2756800 3958.0862 20434.3206 14442.7516 250.3566 -203253.8259 2490.2186 0.0000 0.0000 51899.3922 -109778.7001 298.2665 -161678.0923 -109419.4892 298.1924 313.6635 341.1527 760840.9243 -12.4958 -12.5474 PRESSURE: 2757000 -80.6158 65.74 -84.7315 65.7407 10.399 -26.1725 -84.73 -26.1723 -162.578 GPRESSURE: 2757000 -24.6599 113.914 -75.9834 80.6729 62.6968 -71.8697 -16.0145 90.4416 -184.176 PRESSAVG: 2757000 23.0488 1.53067 30.3827 1.53067 -23.5114 102.609 30.3827 102.609 -6.32465 GPRESSAVG: 2757000 25.2951 1.6406 29.3793 2.66497 -24.9751 102.498 30.6648 99.7564 -7.17691 TIMING: 2757000 CPU: 8707.21, 0.0031486/step Wall: 8707.21, 0.0031486/step, 1.96175 hours remaining, 235.199219 MB of memory in use. ENERGY: 2757000 3974.3312 20497.7855 14447.9135 245.9225 -203411.6478 2508.6942 0.0000 0.0000 51877.7923 -109859.2086 298.1424 -161737.0009 -109496.8511 298.6850 -77.5982 -48.7131 761638.2919 -2.2624 -2.2857 PRESSURE: 2757200 -40.2351 -143.593 51.0179 -143.593 66.1405 80.9794 51.0175 80.9782 294.874 GPRESSURE: 2757200 35.3999 -162.952 62.5082 -134.303 56.338 124.842 -58.649 136.728 328.403 PRESSAVG: 2757200 -34.6064 -36.9318 -25.0847 -36.9318 49.6034 -0.122642 -25.0847 -0.122683 -6.92244 GPRESSAVG: 2757200 -34.9687 -37.6827 -23.983 -38.6569 50.0984 0.518948 -24.5888 3.57673 -7.13686 TIMING: 2757200 CPU: 8707.84, 0.00315966/step Wall: 8707.84, 0.00315966/step, 1.96847 hours remaining, 235.199219 MB of memory in use. ENERGY: 2757200 3975.9559 20348.2492 14466.6648 224.4722 -203463.4230 2679.8389 0.0000 0.0000 51865.1459 -109903.0961 298.0697 -161768.2420 -109539.4440 298.1376 106.9266 140.0468 761229.0217 2.6915 2.6643 PRESSURE: 2757400 -81.8886 -52.004 98.9801 -52.0049 251.088 121.29 98.9806 121.29 104.62 GPRESSURE: 2757400 -98.6281 -62.6113 40.7677 7.99406 302.191 104.974 94.5402 122.914 150.619 PRESSAVG: 2757400 -82.0717 12.1686 24.0041 12.1686 25.841 17.9256 24.0042 17.9256 -1.86257 GPRESSAVG: 2757400 -82.0996 13.068 23.7561 13.9216 26.3029 16.291 22.4781 16.2792 -2.09679 TIMING: 2757400 CPU: 8708.48, 0.00318019/step Wall: 8708.48, 0.00318019/step, 1.98108 hours remaining, 235.199219 MB of memory in use. ENERGY: 2757400 3973.7374 20351.6391 14468.1183 255.0946 -203458.4619 2735.5047 0.0000 0.0000 51916.1456 -109758.2223 298.3628 -161674.3679 -109404.7027 298.1704 91.2731 118.0607 760529.6833 -19.3644 -19.2978 PRESSURE: 2757600 378.42 -110.179 -87.101 -110.178 77.5865 280.199 -87.1005 280.198 404.761 GPRESSURE: 2757600 459.654 -68.8663 5.73335 -104.914 99.193 313.721 -164.324 201.985 386.616 PRESSAVG: 2757600 4.09662 -2.37498 29.1957 -2.375 -24.5644 -29.6961 29.1957 -29.6962 15.2751 GPRESSAVG: 2757600 3.31266 -1.55621 27.9187 -2.81732 -24.8727 -28.0393 31.5102 -30.6899 16.0318 TIMING: 2757600 CPU: 8709.11, 0.00317258/step Wall: 8709.11, 0.00317258/step, 1.97617 hours remaining, 235.210938 MB of memory in use. ENERGY: 2757600 3923.9348 20402.9085 14478.1579 241.5292 -203643.1373 2672.1164 0.0000 0.0000 52186.6167 -109737.8739 299.9172 -161924.4905 -109371.8149 298.5494 286.9224 315.1543 760948.3315 -1.7309 -1.8427 PRESSURE: 2757800 -345.704 -207.264 -4.44195 -207.263 111.552 -208.442 -4.44173 -208.442 141.366 GPRESSURE: 2757800 -243.052 -135.786 -78.1209 -252.554 60.633 -91.5005 175.451 -198.828 188.357 PRESSAVG: 2757800 -4.92792 15.3901 24.1026 15.3901 36.168 51.6956 24.1025 51.6956 8.2832 GPRESSAVG: 2757800 -3.43327 15.236 23.6963 14.0976 35.2781 51.2188 24.3873 53.2345 8.27249 TIMING: 2757800 CPU: 8709.75, 0.0031851/step Wall: 8709.75, 0.0031851/step, 1.98379 hours remaining, 235.210938 MB of memory in use. ENERGY: 2757800 3929.0966 20362.9254 14428.8952 235.0453 -203158.0140 2569.6277 0.0000 0.0000 51966.3843 -109666.0394 298.6515 -161632.4237 -109298.1940 298.1224 -30.9285 1.9795 763695.9520 13.1744 13.3724 PRESSURE: 2758000 -226.726 -33.2983 114.683 -33.2981 51.5695 38.0832 114.683 38.0849 168.759 GPRESSURE: 2758000 -143.924 -56.6042 40.3419 -58.2388 17.3385 -23.7568 0.46146 -16.5103 208.433 PRESSAVG: 2758000 -41.6069 -12.0685 -16.8283 -12.0685 27.6165 -13.0516 -16.8282 -13.0516 -3.36781 GPRESSAVG: 2758000 -41.0942 -11.9677 -15.3183 -12.625 27.2191 -11.1817 -18.8824 -13.5734 -2.84825 TIMING: 2758000 CPU: 8710.38, 0.00314692/step Wall: 8710.38, 0.00314692/step, 1.95983 hours remaining, 235.210938 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: 2758000 3966.0671 20618.6846 14525.3429 251.1274 -203459.2736 2771.5015 0.0000 0.0000 51832.3206 -109494.2296 297.8811 -161326.5502 -109145.1638 298.4997 -2.1323 27.2824 762662.6816 -5.7861 -5.5745 PRESSURE: 2758200 -15.3318 163.317 -224.272 163.317 193.244 34.0288 -224.272 34.0292 225.787 GPRESSURE: 2758200 14.8262 74.0847 -193.653 33.3298 291.806 41.4107 -235.515 112.002 184.021 PRESSAVG: 2758200 -66.5909 -14.9723 -2.73183 -14.9723 24.4556 -20.3137 -2.73187 -20.3137 -6.58198 GPRESSAVG: 2758200 -66.7617 -14.6847 -1.51409 -16.6314 24.7316 -20.3677 -2.45864 -20.4417 -6.88152 TIMING: 2758200 CPU: 8711.01, 0.00315445/step Wall: 8711.01, 0.00315445/step, 1.96435 hours remaining, 235.210938 MB of memory in use. ENERGY: 2758200 3905.0906 20512.2041 14493.3888 241.9039 -203411.8084 2594.7787 0.0000 0.0000 51982.3728 -109682.0695 298.7434 -161664.4422 -109317.1323 298.6872 134.5664 163.5511 762146.2203 -16.2391 -16.3039 PRESSURE: 2758400 -47.0337 107.076 -354.497 107.076 -43.3591 98.6026 -354.497 98.6038 -76.708 GPRESSURE: 2758400 -82.9333 64.8738 -320.945 26.7618 76.8435 56.3995 -202.36 -45.5795 -88.7936 PRESSAVG: 2758400 4.71694 8.55541 -66.3545 8.55535 41.5624 22.7533 -66.3545 22.7533 13.7392 GPRESSAVG: 2758400 2.71579 7.73191 -67.5302 9.93531 42.9932 21.7411 -64.7844 20.6153 14.3268 TIMING: 2758400 CPU: 8711.65, 0.00317893/step Wall: 8711.65, 0.00317893/step, 1.97941 hours remaining, 235.210938 MB of memory in use. ENERGY: 2758400 4014.0297 20555.4078 14480.5338 242.2458 -203197.8055 2310.5661 0.0000 0.0000 51939.9349 -109655.0875 298.4995 -161595.0224 -109293.1184 298.6375 -55.7003 -31.6278 762136.4166 20.0062 20.0119 PRESSURE: 2758600 65.3091 -187.596 302.268 -187.596 -242.971 -140.347 302.269 -140.347 -547.482 GPRESSURE: 2758600 112.197 -130.718 298.971 -91.055 -343.631 -98.664 168.087 -154.134 -407.068 PRESSAVG: 2758600 41.7406 -32.2951 7.6746 -32.2951 -24.4016 38.6136 7.67462 38.6136 -2.53241 GPRESSAVG: 2758600 44.1538 -33.6274 8.30726 -31.8575 -26.0285 39.2493 6.35701 39.7615 -3.56481 TIMING: 2758600 CPU: 8712.28, 0.00317725/step Wall: 8712.28, 0.00317725/step, 1.97819 hours remaining, 235.210938 MB of memory in use. ENERGY: 2758600 3962.9135 20522.1032 14451.5882 244.3047 -203149.2974 2537.2094 0.0000 0.0000 52024.7204 -109406.4580 298.9868 -161431.1784 -109043.5487 298.6543 -241.7144 -212.8342 762247.6166 4.9355 4.8535 PRESSURE: 2758800 137.078 -247.249 188.406 -247.249 77.0746 7.20455 188.407 7.2057 168.899 GPRESSURE: 2758800 97.3757 -177.821 64.453 -105.477 86.0464 -37.6452 269.508 -10.2903 297.459 PRESSAVG: 2758800 44.8733 55.6957 38.1796 55.6957 -4.89483 -15.2405 38.1796 -15.2404 9.31216 GPRESSAVG: 2758800 44.7809 55.9054 37.9686 55.808 -4.573 -16.0063 36.8407 -15.6155 9.85705 TIMING: 2758800 CPU: 8712.92, 0.00316448/step Wall: 8712.92, 0.00316448/step, 1.97006 hours remaining, 235.210938 MB of memory in use. ENERGY: 2758800 3943.0635 20359.9818 14431.7327 249.0575 -202919.1482 2522.0474 0.0000 0.0000 52028.6262 -109384.6391 299.0092 -161413.2653 -109024.2483 299.2480 127.6838 160.2936 760303.8617 16.4302 16.6883 PRESSURE: 2759000 11.5726 43.647 161.612 43.6456 48.855 -210.136 161.612 -210.137 -439.609 GPRESSURE: 2759000 -8.65277 24.9066 145.216 77.3719 106.263 -172.897 152.993 -205.717 -395.43 PRESSAVG: 2759000 -25.7756 16.3974 -24.8296 16.3972 36.5578 -25.251 -24.8296 -25.2511 11.1279 GPRESSAVG: 2759000 -25.8378 18.3007 -25.8162 16.0032 37.073 -24.7075 -23.7653 -23.0068 10.6374 TIMING: 2759000 CPU: 8713.55, 0.00315199/step Wall: 8713.55, 0.00315199/step, 1.96211 hours remaining, 235.210938 MB of memory in use. ENERGY: 2759000 3982.2130 20569.9270 14440.3683 233.4464 -202850.7140 2306.0000 0.0000 0.0000 51796.3173 -109522.4419 297.6741 -161318.7592 -109158.6418 298.9486 -126.3938 -99.2731 762461.4939 7.3034 7.2909 PRESSURE: 2759200 -68.7478 -134.458 -203.347 -134.458 93.291 -118.767 -203.348 -118.767 -92.7993 GPRESSURE: 2759200 -56.7563 -185.153 -142.316 -165.913 184.516 -131.097 -170.696 37.3158 -98.2669 PRESSAVG: 2759200 27.4856 -9.58249 -18.9601 -9.58247 -31.7469 -8.02007 -18.9602 -8.02004 -0.913107 GPRESSAVG: 2759200 27.0278 -11.7702 -17.9215 -8.24886 -31.5429 -8.41922 -19.5091 -7.48871 -0.698246 TIMING: 2759200 CPU: 8714.18, 0.00314147/step Wall: 8714.18, 0.00314147/step, 1.95539 hours remaining, 235.210938 MB of memory in use. ENERGY: 2759200 3933.8547 20460.8473 14406.6222 232.9021 -202933.4815 2514.8635 0.0000 0.0000 52013.1124 -109371.2793 298.9201 -161384.3917 -109011.2197 298.7928 -22.7521 9.8310 764138.4138 -1.7248 -1.7378 PRESSURE: 2759400 -317.242 -93.973 -160.472 -93.9732 74.8343 96.8578 -160.47 96.8577 -76.7624 GPRESSURE: 2759400 -321.504 -7.23727 -248.918 -78.3931 158.496 69.4387 12.0719 56.3529 -60.8104 PRESSAVG: 2759400 -28.236 -23.4958 -37.0354 -23.4958 27.7083 13.1937 -37.0355 13.1937 2.85728 GPRESSAVG: 2759400 -28.3484 -22.1317 -37.2805 -24.6075 27.7089 12.3438 -33.8644 12.5087 2.96172 TIMING: 2759400 CPU: 8714.8, 0.0031486/step Wall: 8714.8, 0.0031486/step, 1.95965 hours remaining, 235.210938 MB of memory in use. ENERGY: 2759400 4096.4146 20396.1952 14442.4584 252.8093 -202766.9229 2326.4733 0.0000 0.0000 51865.2199 -109387.3521 298.0701 -161252.5721 -109027.0752 298.7193 -106.3899 -74.6060 762295.1627 0.7765 0.7741 PRESSURE: 2759600 -135.267 -42.5152 8.13518 -42.516 -135.494 -145.054 8.13535 -145.054 -34.3666 GPRESSURE: 2759600 -136.993 -34.1953 -47.9644 0.522889 -47.6662 -181.345 54.2192 -111.702 -28.4915 PRESSAVG: 2759600 -37.7609 -4.96826 -37.3639 -4.96827 -5.26888 -4.44153 -37.3639 -4.44148 18.2744 GPRESSAVG: 2759600 -35.9574 -4.79783 -39.837 -2.91929 -6.34337 -4.91748 -38.5361 -6.34958 18.0394 TIMING: 2759600 CPU: 8715.43, 0.00314256/step Wall: 8715.43, 0.00314256/step, 1.95572 hours remaining, 235.210938 MB of memory in use. ENERGY: 2759600 4035.7672 20643.2065 14464.3392 266.2925 -203071.2989 2542.5930 0.0000 0.0000 52028.3412 -109090.7594 299.0076 -161119.1006 -108728.6508 299.5619 -101.7089 -71.0504 761536.9684 -8.2518 -8.0871 PRESSURE: 2759800 61.8402 -60.8692 5.68917 -60.8694 -55.6921 -69.2057 5.68914 -69.2062 -24.1317 GPRESSURE: 2759800 158.582 -178.496 69.3759 -232.777 -69.602 -1.73369 -41.9047 -168.517 -29.4861 PRESSAVG: 2759800 49.59 -21.2168 27.8959 -21.2168 -8.29542 -9.27298 27.8959 -9.27304 30.4329 GPRESSAVG: 2759800 49.0509 -22.4386 29.8418 -21.8487 -7.51316 -8.99285 27.1477 -8.2461 30.0611 TIMING: 2759800 CPU: 8716.07, 0.00316021/step Wall: 8716.07, 0.00316021/step, 1.96653 hours remaining, 235.210938 MB of memory in use. ENERGY: 2759800 4016.5304 20396.4325 14471.5657 238.5159 -202785.0882 2402.5432 0.0000 0.0000 51972.7512 -109286.7493 298.6881 -161259.5005 -108926.4120 299.4715 -5.9945 19.8313 762794.8864 23.9092 23.8663 PRESSURE: 2760000 110.356 57.3556 27.7466 57.3558 119.583 68.941 27.7461 68.9403 94.2195 GPRESSURE: 2760000 95.0743 28.9023 84.4496 -27.349 233 108.87 -25.0994 -63.5176 96.5299 PRESSAVG: 2760000 18.5318 -37.855 33.7277 -37.8549 -31.6818 -21.8497 33.7278 -21.8497 -5.99168 GPRESSAVG: 2760000 18.1235 -37.6746 33.9597 -37.5161 -31.7546 -20.5693 32.9499 -21.8967 -4.89252 TIMING: 2760000 CPU: 8716.7, 0.00316063/step Wall: 8716.7, 0.00316063/step, 1.96662 hours remaining, 235.210938 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: 2760000 3937.3090 20461.0911 14437.1653 244.1127 -202845.0265 2540.4516 0.0000 0.0000 51992.3560 -109232.5408 298.8008 -161224.8968 -108866.4922 299.5560 108.0527 141.5348 762871.8020 -6.3805 -6.1746 PRESSURE: 2760200 101.522 143.622 117.936 143.622 42.6806 15.517 117.935 15.5167 -78.4161 GPRESSURE: 2760200 158.359 144.317 96.5334 176.601 66.2441 68.1759 105.571 0.218163 -72.6565 PRESSAVG: 2760200 1.18848 2.20305 12.6136 2.20305 -30.3607 -2.35256 12.6136 -2.35259 4.5552 GPRESSAVG: 2760200 1.04008 2.06068 12.9715 2.78343 -29.881 -0.870381 11.6897 -4.97916 4.13814 TIMING: 2760200 CPU: 8717.33, 0.00315497/step Wall: 8717.33, 0.00315497/step, 1.96292 hours remaining, 235.210938 MB of memory in use. ENERGY: 2760200 4016.8778 20623.0907 14394.0429 235.1582 -203049.6551 2671.2561 0.0000 0.0000 52209.1691 -108900.0604 300.0468 -161109.2295 -108533.6044 299.5437 21.9288 50.6489 762320.2089 -8.2057 -8.2343 LDB: ============= START OF LOAD BALANCING ============== 8729.86 LDB: ============== END OF LOAD BALANCING =============== 8729.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8729.86 LDB: ============= START OF LOAD BALANCING ============== 8730.18 LDB: Largest compute 7066 load 0.031305 is 16.0% of average load 0.195521 LDB: Average compute 0.004384 is 2.2% of average load 0.195521 LDB: TIME 8730.18 LOAD: AVG 0.195521 MAX 0.213612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 8730.18 LOAD: AVG 0.195521 MAX 0.213612 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 8730.18 LOAD: AVG 0.195521 MAX 0.213612 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 8730.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8730.19 PRESSURE: 2760400 182.227 -200.332 -22.6167 -200.33 313.26 131.442 -22.6166 131.442 -98.0763 GPRESSURE: 2760400 283.13 -127.344 36.8685 -192.312 241.744 93.5636 -67.5169 223.837 -37.438 PRESSAVG: 2760400 -39.7983 23.7484 1.26095 23.7484 42.6369 -6.23342 1.26103 -6.23339 -7.01642 GPRESSAVG: 2760400 -40.2217 22.7334 2.41522 22.3278 41.2177 -9.20825 3.38926 -1.91407 -5.69436 TIMING: 2760400 CPU: 8717.97, 0.00321841/step Wall: 8717.97, 0.00321841/step, 2.00221 hours remaining, 236.683594 MB of memory in use. ENERGY: 2760400 3975.4291 20583.7844 14456.3836 242.2369 -203136.3902 2785.5702 0.0000 0.0000 51980.3748 -109112.6112 298.7319 -161092.9860 -108754.7429 299.8805 132.4705 162.4789 761894.6143 -1.3926 -1.5661 PRESSURE: 2760600 228.451 126.917 -49.399 126.918 527.972 -71.7032 -49.3989 -71.7028 -121.202 GPRESSURE: 2760600 246.626 167.962 12.7074 89.996 586.196 -99.3712 14.7927 -112.092 -115.555 PRESSAVG: 2760600 -39.7654 2.43883 -23.0073 2.43883 10.5084 -41.1487 -23.0073 -41.1487 -16.6539 GPRESSAVG: 2760600 -39.1279 3.55249 -24.4938 2.69526 10.2684 -39.6219 -22.3222 -42.5545 -16.8354 TIMING: 2760600 CPU: 8718.6, 0.00316188/step Wall: 8718.6, 0.00316188/step, 1.96686 hours remaining, 236.750000 MB of memory in use. ENERGY: 2760600 3952.6956 20569.8900 14508.2807 251.5731 -202984.9551 2486.5913 0.0000 0.0000 52012.6571 -109203.2675 298.9175 -161215.9246 -108834.4457 299.3818 211.7405 239.0894 762292.6559 -15.3036 -15.2316 PRESSURE: 2760800 72.119 -134.163 43.8625 -134.163 -90.0771 -48.4943 43.8634 -48.4945 290.492 GPRESSURE: 2760800 68.7569 -236.114 117.105 -27.9345 17.9502 -91.3368 12.6681 -58.3952 252.939 PRESSAVG: 2760800 4.00618 -50.7122 19.9508 -50.7122 13.1141 2.99714 19.9508 2.99706 6.45661 GPRESSAVG: 2760800 3.85063 -49.5963 20.9609 -51.1556 13.5485 3.00755 19.8869 2.25045 6.31265 TIMING: 2760800 CPU: 8719.24, 0.00315801/step Wall: 8719.24, 0.00315801/step, 1.96428 hours remaining, 236.953125 MB of memory in use. ENERGY: 2760800 3950.2038 20647.4868 14501.8839 243.4832 -203249.4296 2699.0344 0.0000 0.0000 52172.0410 -109035.2966 299.8334 -161207.3375 -108663.1082 299.3809 90.8445 113.2153 763497.3474 7.8590 7.9039 PRESSURE: 2761000 35.3683 85.6572 173.248 85.6559 330.49 -82.6167 173.247 -82.6169 -13.6959 GPRESSURE: 2761000 117.986 131.8 96.8083 -51.936 362.62 -167.272 170.926 -178.043 -46.0344 PRESSAVG: 2761000 -30.66 -22.9647 -13.2848 -22.9647 18.8813 -4.40707 -13.2849 -4.40701 -4.3334 GPRESSAVG: 2761000 -31.0304 -23.8633 -14.2191 -23.1953 20.065 -5.02474 -14.2644 -4.10847 -5.30978 TIMING: 2761000 CPU: 8719.87, 0.00316077/step Wall: 8719.87, 0.00316077/step, 1.96582 hours remaining, 236.953125 MB of memory in use. ENERGY: 2761000 3905.6659 20531.9015 14387.6701 257.8716 -203357.2564 2856.9242 0.0000 0.0000 52084.9862 -109332.2369 299.3331 -161417.2231 -108965.4987 299.4445 117.3876 144.8573 761315.4966 -5.3707 -5.4251 PRESSURE: 2761200 -239.198 -374.446 131.521 -374.446 -124.749 -61.5761 131.521 -61.5757 -78.0434 GPRESSURE: 2761200 -158.576 -299.742 162.296 -375.283 -102.744 -116.678 -7.84132 112.877 -93.9737 PRESSAVG: 2761200 -18.1111 -51.4284 -11.5001 -51.4284 30.4168 -24.1184 -11.5001 -24.1184 -2.14789 GPRESSAVG: 2761200 -19.3289 -53.975 -11.3978 -51.5768 30.596 -24.6021 -11.3732 -23.3492 -1.96963 TIMING: 2761200 CPU: 8720.5, 0.00316819/step Wall: 8720.5, 0.00316819/step, 1.97026 hours remaining, 236.953125 MB of memory in use. ENERGY: 2761200 3965.7724 20616.1158 14378.0370 226.2092 -203078.3687 2427.8002 0.0000 0.0000 52301.3348 -109163.0994 300.5765 -161464.4342 -108786.8232 299.6506 -147.3302 -118.4313 761324.4042 3.3859 3.0992 PRESSURE: 2761400 237.187 3.8616 7.04599 3.86125 -252.593 151.987 7.04586 151.986 -150.176 GPRESSURE: 2761400 275.665 19.121 90.6771 94.8302 -226.971 145.383 40.3829 90.6252 -111.713 PRESSAVG: 2761400 -1.83552 -36.5608 1.96244 -36.5608 -6.57145 -30.3105 1.96245 -30.3105 7.31151 GPRESSAVG: 2761400 -0.70655 -33.9633 3.19323 -36.5529 -6.86872 -30.2762 2.59654 -29.0866 6.75736 TIMING: 2761400 CPU: 8721.14, 0.00316661/step Wall: 8721.14, 0.00316661/step, 1.96911 hours remaining, 236.953125 MB of memory in use. ENERGY: 2761400 3996.6286 20366.2570 14456.6445 265.7742 -203184.0897 2479.9601 0.0000 0.0000 52401.0770 -109217.7482 301.1497 -161618.8252 -108851.7263 299.7306 -55.1941 -21.0068 762260.4479 -0.3652 -0.2726 PRESSURE: 2761600 33.0592 -28.3338 351.911 -28.3341 216.14 -154.531 351.912 -154.531 -344.491 GPRESSURE: 2761600 160.335 -8.40829 444.001 0.887471 64.3154 -181.337 239.988 -235.675 -248.582 PRESSAVG: 2761600 -21.835 -11.9079 47.9559 -11.9079 61.9169 -28.4032 47.956 -28.4031 31.2166 GPRESSAVG: 2761600 -20.8447 -13.1271 46.3894 -9.25932 60.3996 -27.6796 46.8341 -29.7844 31.1919 TIMING: 2761600 CPU: 8721.76, 0.0031459/step Wall: 8721.76, 0.0031459/step, 1.95605 hours remaining, 236.953125 MB of memory in use. ENERGY: 2761600 3985.0851 20808.2159 14428.4059 219.3552 -203303.3812 2583.8974 0.0000 0.0000 51932.3644 -109346.0572 298.4560 -161278.4217 -108989.5484 299.7987 -31.7641 -7.9771 761403.2645 23.7662 23.5823 PRESSURE: 2761800 163.311 -87.781 -80.2485 -87.7811 -291.28 87.3535 -80.2483 87.3536 -159.846 GPRESSURE: 2761800 101.023 -27.0199 -121.582 -172.116 -190.572 81.8459 -127.272 117.021 -130.759 PRESSAVG: 2761800 -33.3896 -57.6297 -16.3628 -57.6297 18.5249 -18.2667 -16.3629 -18.2666 -3.77665 GPRESSAVG: 2761800 -34.809 -58.3077 -14.9034 -60.8082 18.7486 -18.6275 -17.198 -19.9265 -2.021 TIMING: 2761800 CPU: 8722.4, 0.00316276/step Wall: 8722.4, 0.00316276/step, 1.96636 hours remaining, 236.953125 MB of memory in use. ENERGY: 2761800 3955.1515 20611.8829 14434.9637 249.3479 -203433.4577 2570.2078 0.0000 0.0000 52266.3412 -109345.5627 300.3754 -161611.9040 -108983.3791 298.9635 -95.9380 -73.4363 762844.9284 -6.2138 -6.0271 PRESSURE: 2762000 -273.612 11.6932 -188.804 11.6936 -113.942 8.0842 -188.804 8.08269 -215.754 GPRESSURE: 2762000 -162.244 -32.1785 -139.261 0.343455 -120.568 49.8991 15.1643 -22.1367 -236.343 PRESSAVG: 2762000 -26.0445 -49.1781 -21.6617 -49.1781 -14.2243 -17.8637 -21.6616 -17.8637 -5.23319 GPRESSAVG: 2762000 -25.0033 -48.6575 -23.2493 -46.4813 -13.8433 -18.3256 -20.3599 -14.4413 -6.75998 TIMING: 2762000 CPU: 8723.03, 0.00318708/step Wall: 8723.03, 0.00318708/step, 1.9813 hours remaining, 236.953125 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: 2762000 3992.1062 20775.3183 14457.3179 259.6285 -202958.7162 2277.5194 0.0000 0.0000 52042.8405 -109153.9854 299.0909 -161196.8259 -108789.1444 300.2295 -201.1028 -173.0518 764605.0283 -15.1674 -15.2022 PRESSURE: 2762200 169.294 42.7146 11.7097 42.7148 49.242 -104.745 11.7094 -104.745 353.805 GPRESSURE: 2762200 239.011 91.8489 -18.612 10.9059 88.1899 -178.532 16.042 -14.6046 350.366 PRESSAVG: 2762200 -22.9682 -13.9423 8.83314 -13.9423 -10.561 -11.1443 8.83316 -11.1443 9.07745 GPRESSAVG: 2762200 -22.4621 -11.0768 9.98269 -14.1822 -10.1135 -11.6732 6.08748 -11.8883 8.1835 TIMING: 2762200 CPU: 8723.66, 0.00313904/step Wall: 8723.66, 0.00313904/step, 1.95126 hours remaining, 236.953125 MB of memory in use. ENERGY: 2762200 3949.7859 20593.2614 14493.0502 238.3743 -203679.1757 3028.3235 0.0000 0.0000 52290.4228 -109085.9577 300.5138 -161376.3804 -108722.1759 299.4788 190.7804 225.8556 762215.7004 -8.1506 -8.1307 PRESSURE: 2762400 585.03 -40.8096 -30.6761 -40.8095 501.669 -290.703 -30.6766 -290.703 162.688 GPRESSURE: 2762400 559.25 -102.013 28.7421 -70.7882 550.296 -265.345 -47.9482 -190.436 234.041 PRESSAVG: 2762400 -65.8109 -4.36327 -5.09365 -4.3632 10.9177 -11.9985 -5.09363 -11.9985 0.881535 GPRESSAVG: 2762400 -67.6306 -6.49876 -4.06007 -4.06125 9.74325 -10.4164 -3.20413 -11.9381 3.46882 TIMING: 2762400 CPU: 8724.29, 0.0031462/step Wall: 8724.29, 0.0031462/step, 1.95554 hours remaining, 236.953125 MB of memory in use. ENERGY: 2762400 3926.6457 20612.3625 14442.3696 244.9709 -203313.6419 3021.7632 0.0000 0.0000 51949.0585 -109116.4716 298.5520 -161065.5300 -108762.9279 300.2829 416.4623 447.8622 761132.3532 -18.0039 -18.1395 PRESSURE: 2762600 -231.459 100.776 -110.026 100.776 -118.29 58.7572 -110.026 58.7576 328.805 GPRESSURE: 2762600 -215.423 -15.0392 -47.9035 -49.5128 -106.162 51.0643 -95.5803 23.8097 392.412 PRESSAVG: 2762600 -59.9062 7.2823 2.44712 7.28232 88.7679 -64.5907 2.4471 -64.5908 3.26743 GPRESSAVG: 2762600 -59.3739 5.57888 0.750452 6.61241 89.2483 -63.7501 2.48628 -65.8141 2.14165 TIMING: 2762600 CPU: 8724.92, 0.00315061/step Wall: 8724.92, 0.00315061/step, 1.9581 hours remaining, 236.941406 MB of memory in use. ENERGY: 2762600 4006.6069 20737.8414 14485.8269 250.7697 -202940.1824 2440.5391 0.0000 0.0000 52043.8685 -108974.7300 299.0968 -161018.5985 -108622.3064 299.5915 -6.9815 23.6092 762209.8039 10.7097 10.6720 PRESSURE: 2762800 -226.189 150.134 158.352 150.134 -125.206 44.4447 158.351 44.4449 207.646 GPRESSURE: 2762800 -212.761 140.925 24.7306 51.5591 -95.4644 61.5874 101.783 46.9254 258.06 PRESSAVG: 2762800 -50.8111 30.8437 46.1493 30.8436 49.3971 -7.37406 46.1493 -7.374 11.3041 GPRESSAVG: 2762800 -50.7075 31.5809 46.0056 29.393 49.9054 -8.51316 46.5714 -9.19307 11.0301 TIMING: 2762800 CPU: 8725.55, 0.00314405/step Wall: 8725.55, 0.00314405/step, 1.95385 hours remaining, 236.941406 MB of memory in use. ENERGY: 2762800 3943.8066 20581.8721 14460.2608 261.9041 -202856.9194 2401.9370 0.0000 0.0000 52326.0038 -108881.1350 300.7183 -161207.1388 -108526.0522 300.0200 -47.9163 -16.7216 762584.0478 3.2967 3.4094 PRESSURE: 2763000 -312.523 -77.0803 109.152 -77.0801 -106.567 50.795 109.152 50.7944 -472.154 GPRESSURE: 2763000 -318.857 43.2772 11.2182 -61.5478 -84.5087 -12.5566 201.403 1.0969 -404.139 PRESSAVG: 2763000 -60.4994 14.0288 -12.7581 14.0288 45.6842 -86.0343 -12.7582 -86.0343 16.157 GPRESSAVG: 2763000 -60.9769 15.2131 -13.2627 15.1952 46.3737 -86.1282 -11.7851 -83.3211 15.7878 TIMING: 2763000 CPU: 8726.18, 0.00313373/step Wall: 8726.18, 0.00313373/step, 1.94727 hours remaining, 236.941406 MB of memory in use. ENERGY: 2763000 3962.6252 20668.2749 14457.5629 263.9018 -202734.0859 2029.0114 0.0000 0.0000 52473.8206 -108878.8892 301.5678 -161352.7098 -108514.6785 300.3838 -297.0811 -269.1682 764822.5975 0.4473 0.3949 PRESSURE: 2763200 -398.462 -92.3207 12.8328 -92.3211 84.961 51.0611 12.8337 51.0615 30.4444 GPRESSURE: 2763200 -342.882 -60.4545 70.7775 -5.06381 88.7976 -3.80228 68.1191 96.1016 38.0337 PRESSAVG: 2763200 -21.0373 -26.0032 3.5881 -26.0031 36.3647 -58.2689 3.58811 -58.2689 -17.1458 GPRESSAVG: 2763200 -18.9184 -26.9278 5.25574 -26.2687 35.4653 -58.0269 1.21168 -58.5565 -18.384 TIMING: 2763200 CPU: 8726.81, 0.00314551/step Wall: 8726.81, 0.00314551/step, 1.95441 hours remaining, 236.953125 MB of memory in use. ENERGY: 2763200 3918.3903 20673.3800 14487.8403 244.6558 -202549.4029 2160.4590 0.0000 0.0000 52203.2128 -108861.4647 300.0126 -161064.6776 -108505.7998 300.0884 -94.3521 -72.0169 762442.1907 -0.6061 -0.6123 PRESSURE: 2763400 -261.116 -42.3739 118.519 -42.3742 -243.78 -94.5417 118.52 -94.542 -254.18 GPRESSURE: 2763400 -224.26 -83.679 53.2058 -49.1111 -155.638 -79.943 8.27581 -85.3829 -276.424 PRESSAVG: 2763400 -22.1304 7.02254 1.53739 7.0226 30.1678 -11.4578 1.53739 -11.4578 1.26023 GPRESSAVG: 2763400 -23.4563 7.18489 0.307524 8.52931 30.7109 -10.5162 3.11635 -12.4999 1.3802 TIMING: 2763400 CPU: 8727.43, 0.00314176/step Wall: 8727.43, 0.00314176/step, 1.95191 hours remaining, 236.953125 MB of memory in use. ENERGY: 2763400 3990.1294 20494.9194 14416.3188 250.0327 -202614.9896 2234.9726 0.0000 0.0000 52322.3310 -108906.2855 300.6972 -161228.6165 -108544.5274 300.5344 -253.0254 -218.7740 760723.2233 3.0992 2.8782 PRESSURE: 2763600 -355.134 95.8884 -28.5293 95.8882 40.1198 40.4207 -28.5286 40.4203 23.0449 GPRESSURE: 2763600 -258.1 -53.0327 -17.288 110.146 20.2584 47.1098 -122.762 -89.8541 54.192 PRESSAVG: 2763600 43.3455 -48.9728 14.2563 -48.9728 -38.3155 21.7749 14.2563 21.775 -20.2602 GPRESSAVG: 2763600 42.9277 -48.7965 14.0875 -50.2864 -39.1409 18.6484 14.865 23.4336 -19.0098 TIMING: 2763600 CPU: 8728.06, 0.00315146/step Wall: 8728.06, 0.00315146/step, 1.95775 hours remaining, 236.953125 MB of memory in use. ENERGY: 2763600 3978.1395 20561.1428 14424.2018 240.4573 -203087.1667 2406.0898 0.0000 0.0000 52534.9376 -108942.1979 301.9190 -161477.1355 -108580.6088 300.4981 -97.3232 -61.2165 761009.8015 -5.0768 -5.0743 PRESSURE: 2763800 177.921 60.3494 -38.6831 60.3502 -94.2781 234.678 -38.6823 234.678 57.5485 GPRESSURE: 2763800 235.172 117.178 16.9268 91.8614 -95.6649 236.479 66.2225 146.034 77.6781 PRESSAVG: 2763800 22.2213 16.6372 -14.0216 16.6372 -9.26692 4.32461 -14.0216 4.32457 14.2412 GPRESSAVG: 2763800 21.0245 14.2997 -14.07 16.8712 -8.8475 6.66695 -14.6835 3.65746 14.7117 TIMING: 2763800 CPU: 8728.7, 0.00316188/step Wall: 8728.7, 0.00316188/step, 1.96405 hours remaining, 236.953125 MB of memory in use. ENERGY: 2763800 3934.5415 20531.5082 14453.4855 233.1111 -203247.9871 2577.2711 0.0000 0.0000 52335.6510 -109182.4186 300.7737 -161518.0696 -108819.1543 300.0140 47.0639 72.3950 760737.9194 9.0652 8.9629 PRESSURE: 2764000 -44.5276 59.6712 -164.399 59.6723 -283.118 -53.6659 -164.399 -53.6647 -45.2251 GPRESSURE: 2764000 15.1374 99.4495 -124.086 119.338 -358.161 7.34744 -220.182 24.6446 46.489 PRESSAVG: 2764000 11.7936 10.9572 3.4104 10.9572 22.8508 -46.3607 3.41038 -46.3607 14.896 GPRESSAVG: 2764000 13.5973 15.2717 4.2351 9.52648 21.9471 -46.9447 2.899 -45.5823 13.7213 TIMING: 2764000 CPU: 8729.33, 0.00315461/step Wall: 8729.33, 0.00315461/step, 1.95936 hours remaining, 236.953125 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: 2764000 3954.1914 20536.0124 14455.3055 239.8239 -202832.4773 2130.6752 0.0000 0.0000 52076.3388 -109440.1301 299.2834 -161516.4688 -109089.4583 299.7719 -124.2903 -98.8448 761249.0850 16.5135 16.4219 PRESSURE: 2764200 -333.257 69.4279 -222.235 69.4283 103.544 -75.9645 -222.234 -75.9654 7.35676 GPRESSURE: 2764200 -210.504 -50.2308 -138.604 134.71 123.157 -101.959 -243.351 13.249 -41.2591 PRESSAVG: 2764200 -6.47432 37.836 -46.5895 37.836 -13.3152 -13.7414 -46.5895 -13.7414 21.5041 GPRESSAVG: 2764200 -7.04757 34.5563 -46.1998 39.094 -12.7278 -13.8772 -47.0687 -14.2212 21.3302 TIMING: 2764200 CPU: 8729.95, 0.00313009/step Wall: 8729.95, 0.00313009/step, 1.94396 hours remaining, 236.941406 MB of memory in use. ENERGY: 2764200 3994.1783 20321.3047 14504.7189 247.7014 -203518.3921 2624.3451 0.0000 0.0000 52436.2358 -109389.9078 301.3518 -161826.1436 -109030.9122 299.3935 -74.1187 -42.8686 760824.8208 0.5715 0.5183 LDB: ============= START OF LOAD BALANCING ============== 8742.49 LDB: ============== END OF LOAD BALANCING =============== 8742.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8742.49 LDB: ============= START OF LOAD BALANCING ============== 8742.8 LDB: Largest compute 7072 load 0.031230 is 16.0% of average load 0.195574 LDB: Average compute 0.004384 is 2.2% of average load 0.195574 LDB: TIME 8742.81 LOAD: AVG 0.195574 MAX 0.216478 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.641 MB LDB: TIME 8742.81 LOAD: AVG 0.195574 MAX 0.216478 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: TIME 8742.81 LOAD: AVG 0.195574 MAX 0.216478 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: ============== END OF LOAD BALANCING =============== 8742.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8742.81 PRESSURE: 2764400 69.1992 -109.282 -91.3578 -109.283 -26.628 -118.635 -91.3585 -118.637 190.314 GPRESSURE: 2764400 9.62705 -29.3522 -13.1496 -187.865 56.5237 -15.8497 -130.314 -55.5109 247.189 PRESSAVG: 2764400 -29.9477 37.511 -20.0698 37.511 6.08752 -2.65712 -20.0697 -2.65718 -0.548555 GPRESSAVG: 2764400 -30.5445 36.647 -21.3366 37.4927 5.8241 -2.47636 -18.4025 -1.30847 0.264464 TIMING: 2764400 CPU: 8730.6, 0.00321976/step Wall: 8730.6, 0.00321976/step, 1.99947 hours remaining, 234.871094 MB of memory in use. ENERGY: 2764400 3981.6505 20480.3795 14505.6806 245.8640 -202864.2250 2253.4188 0.0000 0.0000 51946.5300 -109450.7016 298.5374 -161397.2316 -109091.8021 299.3696 77.6285 104.4465 761980.6964 -8.1362 -8.1520 PRESSURE: 2764600 0.648229 -49.1259 124.627 -49.126 -148.484 66.2731 124.628 66.2741 -185.606 GPRESSURE: 2764600 51.5161 -0.735541 91.4671 -27.0751 -171.636 14.6498 158.023 140.271 -115.726 PRESSAVG: 2764600 30.2515 16.9095 42.311 16.9094 9.41234 -27.8115 42.311 -27.8116 -7.20375 GPRESSAVG: 2764600 29.7364 19.5405 44.4369 15.0935 8.73662 -28.5839 39.2549 -28.287 -6.17897 TIMING: 2764600 CPU: 8731.23, 0.00314408/step Wall: 8731.23, 0.00314408/step, 1.9523 hours remaining, 235.132812 MB of memory in use. ENERGY: 2764600 4016.3677 20456.6989 14445.9851 257.9590 -202851.7910 2352.3542 0.0000 0.0000 51825.6716 -109496.7545 297.8428 -161322.4261 -109133.1554 298.9936 -111.1473 -78.6153 761897.0014 10.8200 10.7647 PRESSURE: 2764800 103.706 -97.4923 68.8139 -97.4927 -64.7745 -15.8609 68.8132 -15.8614 -227.177 GPRESSURE: 2764800 145.209 -0.550269 43.9728 -160.164 -49.3395 8.58284 -30.8622 -45.2763 -182.521 PRESSAVG: 2764800 18.0277 5.53747 -19.7669 5.53739 12.5074 -22.8386 -19.7669 -22.8384 -0.951453 GPRESSAVG: 2764800 18.9374 4.85875 -20.957 4.32026 13.606 -20.7283 -17.3754 -22.0635 -2.8794 TIMING: 2764800 CPU: 8731.85, 0.00312231/step Wall: 8731.85, 0.00312231/step, 1.93861 hours remaining, 235.132812 MB of memory in use. ENERGY: 2764800 3996.6022 20325.0049 14513.5614 227.9273 -203505.8939 2837.5353 0.0000 0.0000 52136.7861 -109468.4765 299.6308 -161605.2626 -109100.9743 299.3081 -62.7484 -28.8840 762190.5915 9.8612 9.8880 PRESSURE: 2765000 -96.3491 -96.6863 61.3599 -96.6861 -89.0415 -231.607 61.3592 -231.607 -296.563 GPRESSURE: 2765000 -32.6081 9.96275 -19.7155 -114.416 -72.6408 -270.8 4.26574 -299.616 -275.08 PRESSAVG: 2765000 -11.1704 50.8573 1.95015 50.8572 29.121 -60.8393 1.95017 -60.8393 15.2136 GPRESSAVG: 2765000 -11.8316 50.972 1.64748 51.9033 28.506 -61.08 1.37291 -61.4797 16.0208 TIMING: 2765000 CPU: 8732.48, 0.00314136/step Wall: 8732.48, 0.00314136/step, 1.95026 hours remaining, 235.132812 MB of memory in use. ENERGY: 2765000 3996.6921 20389.0622 14440.3190 225.1967 -203114.9356 2505.1926 0.0000 0.0000 52285.4719 -109273.0011 300.4853 -161558.4730 -108902.9695 299.1465 -160.6512 -126.7762 761455.7702 11.0547 10.8984 PRESSURE: 2765200 -168.044 -110.164 252.025 -110.164 -299.628 -66.0757 252.025 -66.0761 -141.115 GPRESSURE: 2765200 -145.309 -48.4646 257.693 -30.1581 -284.839 -96.7705 361.214 -105.554 -89.4466 PRESSAVG: 2765200 5.55079 -10.9466 -12.4173 -10.9467 7.1048 -22.8221 -12.4173 -22.8222 3.50719 GPRESSAVG: 2765200 4.2245 -10.8739 -10.8652 -9.39126 6.84511 -23.682 -12.5054 -22.1643 5.11232 TIMING: 2765200 CPU: 8733.11, 0.00315017/step Wall: 8733.11, 0.00315017/step, 1.95556 hours remaining, 235.132812 MB of memory in use. ENERGY: 2765200 4059.3311 20545.8513 14414.1159 254.3558 -202906.6638 2420.9288 0.0000 0.0000 52127.7578 -109084.3233 299.5789 -161212.0811 -108714.3693 299.2793 -202.9290 -173.1980 762455.7689 5.3876 5.3940 PRESSURE: 2765400 -111.569 -256.239 -136.104 -256.24 -270.168 -62.2967 -136.104 -62.2964 -227.909 GPRESSURE: 2765400 -45.2696 -280.226 -87.683 -262.347 -211.556 -8.68081 -39.0871 -70.4551 -256.753 PRESSAVG: 2765400 -10.9404 -12.6264 3.97292 -12.6264 24.3852 -32.8194 3.97292 -32.8193 -8.53167 GPRESSAVG: 2765400 -10.2987 -12.4804 2.04147 -14.7782 24.5678 -31.6378 3.70086 -33.6858 -9.19697 TIMING: 2765400 CPU: 8733.74, 0.00314384/step Wall: 8733.74, 0.00314384/step, 1.95145 hours remaining, 235.175781 MB of memory in use. ENERGY: 2765400 3980.8598 20407.0033 14421.3497 243.2759 -202958.6457 2588.3117 0.0000 0.0000 52111.5170 -109206.3284 299.4856 -161317.8453 -108832.0745 299.4203 -203.2152 -171.1927 762504.4369 1.6377 1.6907 PRESSURE: 2765600 -395.848 87.9487 -94.4255 87.9491 -169.721 -76.7759 -94.4249 -76.775 440.317 GPRESSURE: 2765600 -242.416 59.0562 -94.6044 237.163 -240.297 -110.203 -60.7782 -107.417 459.064 PRESSAVG: 2765600 -4.61393 41.5968 -9.45732 41.5968 5.45417 -88.769 -9.45736 -88.769 11.2402 GPRESSAVG: 2765600 -4.11114 40.9835 -8.41378 43.5468 5.01383 -88.6723 -8.60142 -89.6081 10.9317 TIMING: 2765600 CPU: 8734.37, 0.00314314/step Wall: 8734.37, 0.00314314/step, 1.95084 hours remaining, 235.175781 MB of memory in use. ENERGY: 2765600 3943.0831 20526.8506 14457.8244 247.2175 -203124.9101 2581.0383 0.0000 0.0000 52134.7266 -109234.1697 299.6190 -161368.8963 -108863.5777 299.3567 -41.7509 -7.8830 762249.6303 4.0268 3.9448 PRESSURE: 2765800 -4.7932 152.462 208.441 152.462 -152.23 -143.889 208.441 -143.888 -485.362 GPRESSURE: 2765800 35.6081 103.292 151.637 54.6107 -140.355 -94.6105 102.119 -196.638 -441.527 PRESSAVG: 2765800 45.9383 -4.64738 5.95877 -4.64738 -30.7934 -67.2674 5.95875 -67.2674 -18.0241 GPRESSAVG: 2765800 46.0713 -4.69488 5.78244 -5.69899 -31.1153 -67.0769 6.76773 -66.8405 -18.2642 TIMING: 2765800 CPU: 8734.99, 0.00313824/step Wall: 8734.99, 0.00313824/step, 1.94763 hours remaining, 235.175781 MB of memory in use. ENERGY: 2765800 4043.9988 20454.1523 14481.2070 263.2980 -202910.4008 2472.0676 0.0000 0.0000 51914.8110 -109280.8661 298.3551 -161195.6771 -108924.8410 299.0682 -214.1285 -182.0914 764064.6358 -0.9598 -1.1027 PRESSURE: 2766000 -48.4919 0.112 1.24644 0.11198 0.82025 -28.5784 1.2453 -28.5785 201.303 GPRESSURE: 2766000 77.098 -61.154 60.8493 -66.3103 -69.3724 59.0485 -106.772 -50.4183 234.422 PRESSAVG: 2766000 1.84131 14.7894 5.3439 14.7894 21.2941 -36.755 5.34391 -36.7549 1.29561 GPRESSAVG: 2766000 2.63017 16.1503 5.84263 15.1256 21.6567 -37.1762 4.89615 -38.6984 0.357039 TIMING: 2766000 CPU: 8735.62, 0.0031334/step Wall: 8735.62, 0.0031334/step, 1.94445 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: 2766000 3960.1227 20453.2569 14473.1502 246.9669 -203047.9146 2502.4852 0.0000 0.0000 52061.7879 -109350.1448 299.1998 -161411.9326 -108979.3390 298.9103 51.2105 80.7159 762837.4601 8.1437 8.2146 PRESSURE: 2766200 105.381 1.41679 151.247 1.41697 -323.367 -10.1871 151.247 -10.187 142.371 GPRESSURE: 2766200 116.72 -120.237 176.958 -56.2874 -268.291 -11.1298 90.5388 77.1085 140.834 PRESSAVG: 2766200 25.8005 -4.32569 -30.8909 -4.32562 -40.9208 -14.1134 -30.8909 -14.1134 0.922401 GPRESSAVG: 2766200 24.3012 -6.37212 -32.5051 -4.33398 -40.8943 -13.4332 -29.1381 -12.5588 2.38269 TIMING: 2766200 CPU: 8736.25, 0.00314525/step Wall: 8736.25, 0.00314525/step, 1.95163 hours remaining, 235.175781 MB of memory in use. ENERGY: 2766200 3949.3424 20571.8818 14417.0031 261.5671 -203704.8677 3023.5966 0.0000 0.0000 52051.2801 -109430.1966 299.1394 -161481.4767 -109062.2656 298.7960 -25.2054 -3.5790 764722.8998 -4.7326 -4.7368 PRESSURE: 2766400 -394.886 230.153 3.20008 230.153 -150.399 -191.338 3.19951 -191.337 232.31 GPRESSURE: 2766400 -357.743 287.723 -3.59556 205.852 -87.4537 -195.982 -9.82261 -29.4786 202.87 PRESSAVG: 2766400 -14.4472 74.9068 4.51663 74.9068 -18.052 8.09025 4.51663 8.09022 3.4257 GPRESSAVG: 2766400 -12.5597 73.596 4.40114 76.5707 -18.642 7.45464 4.52128 8.00908 2.35814 TIMING: 2766400 CPU: 8736.88, 0.00313403/step Wall: 8736.88, 0.00313403/step, 1.94449 hours remaining, 235.175781 MB of memory in use. ENERGY: 2766400 4003.1112 20537.0148 14438.7305 243.0657 -203362.7161 2815.5093 0.0000 0.0000 51906.7855 -109418.4990 298.3090 -161325.2845 -109061.1718 299.1688 -104.3249 -80.7754 764127.1629 -9.6912 -9.6145 PRESSURE: 2766600 315.239 -221.127 -47.5259 -221.127 -138.916 49.6032 -47.5259 49.604 -12.8249 GPRESSURE: 2766600 335.512 -65.3889 -36.7636 -152.964 -71.7465 -10.1168 52.4604 -43.4279 7.59266 PRESSAVG: 2766600 -14.4019 26.5521 -1.92834 26.5521 26.4192 34.4983 -1.92832 34.4984 -32.445 GPRESSAVG: 2766600 -15.0564 30.2457 -0.0814467 22.7406 26.3669 33.7418 -2.86089 34.6583 -32.2839 TIMING: 2766600 CPU: 8737.5, 0.00312376/step Wall: 8737.5, 0.00312376/step, 1.93795 hours remaining, 235.175781 MB of memory in use. ENERGY: 2766600 3940.7945 20563.9255 14505.9114 231.7912 -203622.6480 2808.2126 0.0000 0.0000 52039.8038 -109532.2090 299.0735 -161572.0128 -109172.2478 298.5132 54.4992 90.4526 762255.6690 -6.8093 -6.9911 PRESSURE: 2766800 -138.065 14.2378 220.152 14.2378 -77.3591 -59.5417 220.153 -59.5411 -129.789 GPRESSURE: 2766800 -152.526 119.019 113.979 -12.3517 -88.6484 -111.427 169.492 -6.07356 -10.2883 PRESSAVG: 2766800 -11.233 27.9396 -5.9345 27.9396 20.0672 -59.9198 -5.93446 -59.9198 -15.7213 GPRESSAVG: 2766800 -12.1096 26.4105 -6.42289 29.4461 19.9504 -60.3382 -6.71305 -59.8939 -15.2182 TIMING: 2766800 CPU: 8738.13, 0.00312817/step Wall: 8738.13, 0.00312817/step, 1.94051 hours remaining, 235.175781 MB of memory in use. ENERGY: 2766800 3900.4923 20490.0405 14493.0173 243.0742 -203192.6211 2637.0058 0.0000 0.0000 51915.1581 -109513.8330 298.3571 -161428.9910 -109150.8159 298.3344 -115.0710 -83.8209 763674.4750 -2.2957 -2.4591 PRESSURE: 2767000 14.6162 -17.8807 -92.0861 -17.8806 85.3156 -17.0913 -92.0853 -17.0911 -84.7064 GPRESSURE: 2767000 70.2361 -39.3421 -38.6336 25.2604 101.842 -86.442 -60.8906 -4.61789 -73.8162 PRESSAVG: 2767000 31.1939 1.03307 31.7358 1.03304 -34.7763 -21.4899 31.7358 -21.4899 -16.027 GPRESSAVG: 2767000 31.5252 1.42045 31.4119 2.7214 -34.008 -21.738 33.0437 -20.2023 -16.8106 TIMING: 2767000 CPU: 8738.75, 0.00312253/step Wall: 8738.75, 0.00312253/step, 1.93684 hours remaining, 235.175781 MB of memory in use. ENERGY: 2767000 3947.0820 20531.5747 14567.4545 247.1957 -203807.0762 2949.8244 0.0000 0.0000 51921.2741 -109642.6708 298.3923 -161563.9449 -109281.7983 298.3291 5.0751 32.7540 762593.0144 -6.5365 -6.4311 PRESSURE: 2767200 96.5438 19.6437 -142.497 19.6445 -14.2046 102.324 -142.497 102.324 129.792 GPRESSURE: 2767200 166.423 -24.1955 -129.939 40.6437 36.6827 80.335 -47.8363 217.522 80.4635 PRESSAVG: 2767200 77.2736 15.1023 -23.8954 15.1023 -61.6903 -26.395 -23.8954 -26.3951 -28.1123 GPRESSAVG: 2767200 76.959 13.5228 -23.1422 15.2033 -62.3611 -25.8386 -26.0362 -26.8969 -26.9425 TIMING: 2767200 CPU: 8739.38, 0.00313054/step Wall: 8739.38, 0.00313054/step, 1.94163 hours remaining, 235.175781 MB of memory in use. ENERGY: 2767200 3893.0223 20615.5252 14548.6715 240.7944 -203740.9948 2907.7795 0.0000 0.0000 51941.9720 -109593.2299 298.5112 -161535.2019 -109233.0340 298.7182 70.7105 94.5231 762049.4314 -4.1763 -4.1149 PRESSURE: 2767400 -29.0869 -117.371 271.707 -117.372 -80.5551 151.916 271.707 151.916 -318.884 GPRESSURE: 2767400 -82.2184 62.7634 242.434 -121.863 -6.96992 138.647 243.205 212.107 -260.812 PRESSAVG: 2767400 -48.7804 30.5862 30.5879 30.5861 18.0452 2.58604 30.588 2.58607 15.9436 GPRESSAVG: 2767400 -48.4006 31.6356 31.1282 29.4406 17.7108 3.77593 30.1155 1.86865 15.6148 TIMING: 2767400 CPU: 8740, 0.0031278/step Wall: 8740, 0.0031278/step, 1.93975 hours remaining, 235.175781 MB of memory in use. ENERGY: 2767400 3978.9950 20724.8330 14442.8732 243.5050 -203239.1929 2672.4053 0.0000 0.0000 51837.5655 -109339.0158 297.9112 -161176.5813 -108979.4585 299.0138 -142.8421 -116.6668 762416.9177 -4.9305 -5.0250 PRESSURE: 2767600 -144.574 99.3725 -115.08 99.3724 304.735 -122.345 -115.08 -122.346 -499.318 GPRESSURE: 2767600 -112.186 120.204 -165.743 87.5181 308.582 -109.799 -104.561 81.265 -443.742 PRESSAVG: 2767600 -8.21897 -48.887 -2.58223 -48.887 -13.0236 -23.4396 -2.5823 -23.4396 -14.1068 GPRESSAVG: 2767600 -9.31044 -47.5478 -2.55355 -49.3374 -12.0161 -24.0326 -2.82855 -24.69 -13.8819 TIMING: 2767600 CPU: 8740.63, 0.00314049/step Wall: 8740.63, 0.00314049/step, 1.94745 hours remaining, 235.175781 MB of memory in use. ENERGY: 2767600 3959.4645 20572.3652 14566.5223 252.8268 -203313.2108 2705.7211 0.0000 0.0000 52074.8127 -109181.4982 299.2747 -161256.3109 -108823.1044 299.1684 -113.0525 -82.4486 762945.3683 -11.7831 -11.7361 PRESSURE: 2767800 -181.727 -65.6152 -312.813 -65.6151 -83.5313 372.46 -312.814 372.461 -177.694 GPRESSURE: 2767800 -201.577 -43.0455 -427.046 -83.4638 -31.0677 330.455 -110.551 301.56 -127.361 PRESSAVG: 2767800 -31.1317 7.50732 -19.6251 7.50729 -21.7616 -47.4769 -19.6251 -47.4769 -7.91011 GPRESSAVG: 2767800 -29.2729 6.61593 -22.2315 9.35321 -22.2991 -48.938 -17.6044 -44.9879 -8.45524 TIMING: 2767800 CPU: 8741.26, 0.00314598/step Wall: 8741.26, 0.00314598/step, 1.95068 hours remaining, 235.175781 MB of memory in use. ENERGY: 2767800 3950.0285 20501.4789 14550.5097 254.9347 -202998.5192 2534.6406 0.0000 0.0000 52052.0430 -109154.8838 299.1438 -161206.9269 -108784.2999 299.7501 -147.6505 -120.0019 763729.6181 -20.2678 -20.0091 PRESSURE: 2768000 10.7864 -237.582 136.7 -237.583 -23.342 -28.9708 136.702 -28.971 -194.335 GPRESSURE: 2768000 25.7512 -177.674 122.541 -235.046 41.3896 -46.6655 162.576 -105.795 -189.722 PRESSAVG: 2768000 -50.9 -50.5214 49.6197 -50.5214 53.4688 -9.1489 49.6197 -9.1488 19.8298 GPRESSAVG: 2768000 -50.9727 -50.6299 50.4966 -51.8443 54.0428 -7.34303 51.8533 -11.1724 19.5416 TIMING: 2768000 CPU: 8741.89, 0.0031555/step Wall: 8741.89, 0.0031555/step, 1.95641 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: 2768000 4008.4246 20711.7278 14593.5785 240.2068 -203052.4285 2757.2797 0.0000 0.0000 51561.4206 -109179.7904 296.3242 -160741.2111 -108835.7404 299.5461 -68.9635 -40.8605 762345.1976 7.4662 7.5372 PRESSURE: 2768200 -157.866 -149.414 187.627 -149.415 -366.337 -25.8371 187.627 -25.8372 -62.461 GPRESSURE: 2768200 -129.456 -144.981 146.588 -211.333 -407.825 -22.6466 95.7877 7.45917 45.5248 PRESSAVG: 2768200 -17.7383 -9.81991 61.6698 -9.81999 53.4305 -13.3759 61.6699 -13.3759 10.3737 GPRESSAVG: 2768200 -17.9457 -9.61208 61.6332 -9.96879 53.0108 -13.2856 59.4822 -11.6459 10.8393 TIMING: 2768200 CPU: 8742.52, 0.00314452/step Wall: 8742.52, 0.00314452/step, 1.94943 hours remaining, 235.175781 MB of memory in use. ENERGY: 2768200 3989.4498 20453.0626 14500.6334 240.1265 -202775.5173 2379.8633 0.0000 0.0000 52106.6661 -109105.7156 299.4577 -161212.3817 -108741.7213 299.4930 -195.5544 -163.9187 763380.6700 15.3553 15.3015 LDB: ============= START OF LOAD BALANCING ============== 8755.05 LDB: ============== END OF LOAD BALANCING =============== 8755.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8755.05 LDB: ============= START OF LOAD BALANCING ============== 8755.37 LDB: Largest compute 7068 load 0.030372 is 15.5% of average load 0.195583 LDB: Average compute 0.004373 is 2.2% of average load 0.195583 LDB: TIME 8755.37 LOAD: AVG 0.195583 MAX 0.213268 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.445 MB LDB: TIME 8755.37 LOAD: AVG 0.195583 MAX 0.213268 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: TIME 8755.37 LOAD: AVG 0.195583 MAX 0.213268 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: ============== END OF LOAD BALANCING =============== 8755.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8755.38 PRESSURE: 2768400 -158.074 203.292 36.2658 203.292 -88.7497 -78.3142 36.2653 -78.3131 -89.1645 GPRESSURE: 2768400 -99.6061 73.7145 48.0398 156.864 -65.1216 -17.4613 35.1727 -108.321 -87.7396 PRESSAVG: 2768400 36.7628 11.9193 -29.4546 11.9192 1.33006 14.0482 -29.4546 14.0483 -17.3864 GPRESSAVG: 2768400 38.0415 11.2854 -29.6444 12.829 1.32296 15.4747 -30.4267 10.5666 -18.3082 TIMING: 2768400 CPU: 8743.16, 0.00320574/step Wall: 8743.16, 0.00320574/step, 1.9872 hours remaining, 234.882812 MB of memory in use. ENERGY: 2768400 3899.2200 20527.5989 14543.6552 273.8632 -203174.5526 2784.5765 0.0000 0.0000 52254.9517 -108890.6871 300.3099 -161145.6389 -108514.3755 299.7144 -111.9960 -84.1558 763812.0851 6.9022 7.0187 PRESSURE: 2768600 48.9927 -122.102 -52.0658 -122.102 -253.784 -47.4076 -52.0651 -47.4073 -41.8953 GPRESSURE: 2768600 -25.8662 -112.61 26.5277 -130.006 -183.564 -105.752 -54.927 118.844 40.0233 PRESSAVG: 2768600 -22.9437 7.51991 -6.8443 7.51993 20.7089 -42.3923 -6.84434 -42.3923 23.099 GPRESSAVG: 2768600 -23.2689 7.66243 -3.58227 5.66782 21.5371 -44.1909 -7.70271 -39.1686 22.2192 TIMING: 2768600 CPU: 8743.79, 0.00314179/step Wall: 8743.79, 0.00314179/step, 1.94738 hours remaining, 234.882812 MB of memory in use. ENERGY: 2768600 4012.4356 20540.1291 14594.4442 257.4761 -202987.1132 2680.9341 0.0000 0.0000 52114.8252 -108786.8689 299.5046 -160901.6941 -108426.5688 300.2546 -82.2289 -56.4690 762389.0183 6.9547 6.8291 PRESSURE: 2768800 -14.9142 93.3191 23.3078 93.3184 -2.82998 24.696 23.3074 24.6965 -201.313 GPRESSURE: 2768800 86.3067 69.6723 53.5778 118.781 -15.7866 24.4816 -28.2515 74.8153 -213.552 PRESSAVG: 2768800 -28.4962 -30.8271 9.74407 -30.827 66.8463 6.61935 9.74408 6.61933 11.2855 GPRESSAVG: 2768800 -29.2351 -30.8903 6.9863 -29.6402 66.8291 6.86283 10.6519 7.13048 11.4566 TIMING: 2768800 CPU: 8744.42, 0.00314072/step Wall: 8744.42, 0.00314072/step, 1.94655 hours remaining, 234.882812 MB of memory in use. ENERGY: 2768800 4047.9270 20510.1889 14540.4312 239.6237 -203030.3539 2500.2758 0.0000 0.0000 52275.7731 -108916.1343 300.4296 -161191.9074 -108554.9811 300.2583 -73.0192 -47.6772 762592.3480 16.5452 16.3502 PRESSURE: 2769000 -64.2141 -270.641 -451.691 -270.642 211.381 -32.0275 -451.692 -32.0289 277.365 GPRESSURE: 2769000 -51.6494 -317.212 -499.539 -278.068 158.575 -75.5443 -445.223 -58.8881 404.84 PRESSAVG: 2769000 -39.4744 -42.5131 6.56358 -42.5131 58.2763 8.46703 6.56365 8.46704 7.09626 GPRESSAVG: 2769000 -39.4122 -41.2738 6.56381 -43.4192 56.3906 8.75733 7.66857 6.55185 8.70561 TIMING: 2769000 CPU: 8745.05, 0.00314493/step Wall: 8745.05, 0.00314493/step, 1.94898 hours remaining, 234.882812 MB of memory in use. ENERGY: 2769000 3949.7716 20688.7076 14568.7112 265.0128 -203032.6328 2585.1323 0.0000 0.0000 51757.5947 -109217.7027 297.4516 -160975.2974 -108859.7178 299.8092 141.5106 170.5886 762278.7386 8.6327 8.5613 PRESSURE: 2769200 -292.939 102.696 205.372 102.694 -91.0761 -162.699 205.371 -162.701 -557.932 GPRESSURE: 2769200 -269.603 98.6297 143.739 26.309 -71.7518 -201.264 272.18 -179.392 -506.354 PRESSAVG: 2769200 -41.466 13.353 -4.13398 13.3529 24.8301 56.5107 -4.13401 56.5107 12.4548 GPRESSAVG: 2769200 -42.6016 11.5015 -5.23372 13.8388 27.8674 55.524 -4.43863 57.9404 10.2433 TIMING: 2769200 CPU: 8745.68, 0.00314618/step Wall: 8745.68, 0.00314618/step, 1.94958 hours remaining, 234.882812 MB of memory in use. ENERGY: 2769200 3997.0653 20488.9284 14463.2560 259.0789 -203160.7621 2615.7953 0.0000 0.0000 52076.6275 -109260.0106 299.2851 -161336.6381 -108897.8224 298.9868 -313.9827 -282.5694 763326.3072 -1.3937 -1.4970 PRESSURE: 2769400 -455.329 70.2728 47.8978 70.2731 -123.526 -103.847 47.897 -103.846 -250.875 GPRESSURE: 2769400 -299.071 98.4408 144.467 41.0428 -152.239 -111.929 -46.2588 -177.369 -285.796 PRESSAVG: 2769400 -17.4443 -33.13 -32.6126 -33.13 24.4378 -18.4008 -32.6126 -18.4008 18.0845 GPRESSAVG: 2769400 -16.7603 -32.908 -32.2138 -33.9793 22.4886 -18.3398 -34.1186 -17.5755 19.3078 TIMING: 2769400 CPU: 8746.31, 0.00315364/step Wall: 8746.31, 0.00315364/step, 1.95403 hours remaining, 234.882812 MB of memory in use. ENERGY: 2769400 4010.9865 20639.4390 14519.8391 252.8771 -202938.7974 2236.9174 0.0000 0.0000 52096.4673 -109182.2709 299.3991 -161278.7382 -108821.0788 299.5326 -276.5765 -245.7018 764278.0605 8.3593 8.3454 PRESSURE: 2769600 -88.4587 43.1422 -30.7161 43.1414 -494.062 -219.368 -30.7161 -219.367 193.575 GPRESSURE: 2769600 -24.5892 130.135 30.9118 150.43 -522.829 -111.469 -133.493 -270.177 263.616 PRESSAVG: 2769600 13.1752 14.5573 -40.6442 14.5573 -26.952 -22.3648 -40.6441 -22.3648 -0.934825 GPRESSAVG: 2769600 13.1523 16.5157 -39.4845 15.1615 -27.3156 -21.0777 -39.3894 -24.988 -0.859107 TIMING: 2769600 CPU: 8746.94, 0.00316658/step Wall: 8746.94, 0.00316658/step, 1.96187 hours remaining, 234.882812 MB of memory in use. ENERGY: 2769600 3959.7506 20498.7756 14515.4339 231.3089 -203396.9557 2993.0598 0.0000 0.0000 52162.7044 -109035.9225 299.7798 -161198.6269 -108658.6778 299.3346 -129.6487 -94.6008 763589.2842 -4.9039 -5.0075 PRESSURE: 2769800 124.471 -148.923 272.018 -148.924 323.791 -172.443 272.018 -172.443 314.472 GPRESSURE: 2769800 160.341 -50.5667 204.896 -52.3655 367.617 -18.5721 274.445 -84.9331 320.643 PRESSAVG: 2769800 4.67349 24.2091 -7.16836 24.2091 13.6655 -37.3638 -7.16834 -37.3638 1.59671 GPRESSAVG: 2769800 5.19221 24.3525 -8.0456 23.751 13.0665 -36.3353 -6.87677 -35.7744 1.82033 TIMING: 2769800 CPU: 8747.57, 0.00313589/step Wall: 8747.57, 0.00313589/step, 1.94268 hours remaining, 234.882812 MB of memory in use. ENERGY: 2769800 3925.9345 20517.3743 14525.2731 228.6893 -203808.6483 3005.1472 0.0000 0.0000 52452.8611 -109153.3687 301.4473 -161606.2298 -108785.8322 299.7343 254.2448 282.8672 763179.3378 6.6452 6.6930 PRESSURE: 2770000 397.552 100.064 114.692 100.064 -58.8122 -266.616 114.692 -266.616 665.9 GPRESSURE: 2770000 426.875 5.79855 121.844 1.09276 -0.940939 -156.702 53.5256 -283.524 654.443 PRESSAVG: 2770000 -13.7528 -0.531097 12.2327 -0.530989 -5.65527 -5.01331 12.2327 -5.01333 15.001 GPRESSAVG: 2770000 -14.543 -1.81305 12.1784 -1.11154 -4.57468 -4.95054 9.83115 -7.28553 14.9755 TIMING: 2770000 CPU: 8748.19, 0.00312944/step Wall: 8748.19, 0.00312944/step, 1.93852 hours remaining, 234.882812 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: 2770000 3962.1824 20600.6946 14522.9319 249.2371 -203694.3678 3085.5461 0.0000 0.0000 51955.7793 -109317.9963 298.5906 -161273.7756 -108959.0483 299.2116 334.8798 360.1258 761942.0091 -1.4690 -1.3808 PRESSURE: 2770200 208.325 -341.205 -107.232 -341.205 99.0359 -12.5932 -107.232 -12.5916 294.265 GPRESSURE: 2770200 214.293 -246.802 -2.03987 -364.791 168.698 15.8406 -126.587 49.3585 314.825 PRESSAVG: 2770200 5.85233 6.64144 26.5994 6.64143 9.16407 -4.97061 26.5994 -4.97052 -15.9814 GPRESSAVG: 2770200 6.07867 7.84203 28.8185 7.77775 9.94107 -6.4292 28.4224 -2.60667 -16.3253 TIMING: 2770200 CPU: 8748.83, 0.00316082/step Wall: 8748.83, 0.00316082/step, 1.95777 hours remaining, 234.882812 MB of memory in use. ENERGY: 2770200 3995.8978 20201.3795 14565.6146 261.3122 -203587.0713 3093.7603 0.0000 0.0000 52271.6207 -109197.4860 300.4057 -161469.1068 -108830.0456 299.3056 200.5420 232.6053 762112.1148 -0.3217 -0.1019 PRESSURE: 2770400 -476.662 187.987 -104.303 187.987 -48.0509 205.58 -104.304 205.58 -17.4087 GPRESSURE: 2770400 -394.989 -16.6125 -145.435 228.708 -67.1361 172.486 -17.5992 132.166 -14.6222 PRESSAVG: 2770400 -37.6244 -3.24113 -1.23746 -3.2411 27.0348 7.64189 -1.23754 7.64187 -5.98714 GPRESSAVG: 2770400 -36.7902 -3.43725 -1.56214 -3.9287 27.0856 7.73662 -1.76889 5.89805 -6.77486 TIMING: 2770400 CPU: 8749.46, 0.00316942/step Wall: 8749.46, 0.00316942/step, 1.96293 hours remaining, 234.882812 MB of memory in use. ENERGY: 2770400 3912.1906 20346.1042 14456.7073 253.9045 -202842.6837 2443.0856 0.0000 0.0000 52129.3794 -109301.3121 299.5883 -161430.6915 -108937.8085 298.7751 -180.7072 -158.9158 763074.7696 -5.5256 -5.4932 PRESSURE: 2770600 -221.632 -122.751 -18.6465 -122.749 234.371 7.45299 -18.6466 7.45361 -195.811 GPRESSURE: 2770600 -234.736 -0.537083 11.7942 -73.71 231.567 75.4053 -209.279 -115.518 -85.8117 PRESSAVG: 2770600 -0.472182 23.9517 1.404 23.9517 2.74333 -31.444 1.40402 -31.444 -11.2322 GPRESSAVG: 2770600 -1.94057 23.0694 -0.0482146 24.6431 2.12255 -31.5602 1.1611 -29.7752 -9.22554 TIMING: 2770600 CPU: 8750.09, 0.00316955/step Wall: 8750.09, 0.00316955/step, 1.96283 hours remaining, 235.085938 MB of memory in use. ENERGY: 2770600 3940.4086 20451.9324 14496.8620 243.7998 -203095.6954 2581.6442 0.0000 0.0000 51951.0980 -109429.9505 298.5637 -161381.0485 -109071.2333 298.2965 -61.0241 -29.6602 761087.4217 -2.9870 -3.0145 PRESSURE: 2770800 -158.198 174.585 168.643 174.585 354.944 -215.137 168.644 -215.137 -182.557 GPRESSURE: 2770800 -116.019 203.706 312.1 79.3261 375.354 -176.903 117.535 -43.6823 -139.798 PRESSAVG: 2770800 -1.68513 19.2847 -24.9948 19.2846 0.458362 4.68356 -24.9948 4.68361 15.9984 GPRESSAVG: 2770800 -1.8822 19.3467 -24.277 21.1729 0.749536 5.27066 -24.0398 1.84527 15.6598 TIMING: 2770800 CPU: 8750.72, 0.00315372/step Wall: 8750.72, 0.00315372/step, 1.95286 hours remaining, 235.085938 MB of memory in use. ENERGY: 2770800 4012.1916 20402.8552 14516.0721 275.2060 -203025.5911 2775.0352 0.0000 0.0000 51536.1932 -109508.0378 296.1792 -161044.2310 -109157.8681 298.5411 4.7296 39.8458 762903.0967 4.9239 4.8424 PRESSURE: 2771000 -146.769 -34.3289 53.0279 -34.3284 -37.9094 -92.6579 53.0271 -92.6573 419.762 GPRESSURE: 2771000 -142.402 -105.004 -23.6634 14.6475 78.1333 -99.8972 156.011 -20.3552 389.016 PRESSAVG: 2771000 -68.9443 5.32889 5.96945 5.32891 62.8671 4.59624 5.9694 4.59629 -24.3332 GPRESSAVG: 2771000 -67.4371 6.91526 5.94036 4.64285 62.7042 3.33756 4.32621 5.69654 -25.7557 TIMING: 2771000 CPU: 8751.36, 0.00315125/step Wall: 8751.36, 0.00315125/step, 1.95115 hours remaining, 235.085938 MB of memory in use. ENERGY: 2771000 3978.8841 20344.7297 14461.8451 235.7301 -203088.1833 2541.1761 0.0000 0.0000 52054.4638 -109471.3544 299.1577 -161525.8182 -109106.0793 298.3309 78.3612 108.2491 762854.7313 -10.1368 -10.1629 PRESSURE: 2771200 -231.695 -109.345 -87.9096 -109.346 24.7636 220.165 -87.9086 220.166 -8.8931 GPRESSURE: 2771200 -94.2401 -39.8299 -163.619 -95.0347 -26.4099 263.095 -93.2622 183.378 10.4787 PRESSAVG: 2771200 -44.3131 30.4678 41.1517 30.4678 29.9493 -8.6788 41.1517 -8.67868 28.3975 GPRESSAVG: 2771200 -44.9358 29.1895 40.3953 29.1483 29.4053 -8.98208 39.979 -7.60842 29.6933 TIMING: 2771200 CPU: 8751.99, 0.0031596/step Wall: 8751.99, 0.0031596/step, 1.95614 hours remaining, 235.085938 MB of memory in use. ENERGY: 2771200 4046.1875 20485.4108 14449.6680 246.1391 -203371.8163 2748.9153 0.0000 0.0000 51890.5754 -109504.9202 298.2158 -161395.4955 -109150.7310 298.3445 -71.9415 -36.7238 763930.4754 4.6779 4.7209 PRESSURE: 2771400 6.3121 -52.1275 -87.7623 -52.1278 -110.144 -12.5669 -87.7625 -12.5671 29.6088 GPRESSURE: 2771400 50.9381 -158.922 9.04054 59.6192 -112.368 50.7922 -5.29297 -216.499 45.9561 PRESSAVG: 2771400 -36.8989 -1.20655 -1.75212 -1.2066 38.4627 -51.66 -1.75211 -51.66 4.10414 GPRESSAVG: 2771400 -36.7482 -1.98782 -1.35572 0.969523 38.0916 -51.2066 0.576578 -53.1506 4.59343 TIMING: 2771400 CPU: 8752.62, 0.00314459/step Wall: 8752.62, 0.00314459/step, 1.94667 hours remaining, 235.074219 MB of memory in use. ENERGY: 2771400 4042.0525 20444.4100 14482.7817 257.3905 -202714.9794 2305.6677 0.0000 0.0000 51588.6922 -109593.9848 296.4809 -161182.6770 -109233.4025 298.5408 -24.7412 -5.1580 764503.2541 1.8893 1.9790 PRESSURE: 2771600 -302.853 54.7531 3.63807 54.7519 -130.145 -40.8082 3.63873 -40.8081 -258.422 GPRESSURE: 2771600 -270.897 25.3282 3.58203 68.2707 -114.436 -23.3953 6.64856 -58.4533 -219.815 PRESSAVG: 2771600 -24.7206 -31.2996 1.9592 -31.2996 29.4586 -65.3543 1.95912 -65.3544 2.25574 GPRESSAVG: 2771600 -24.5792 -31.5763 1.98556 -32.6716 29.9217 -64.9978 1.48572 -64.1178 2.24742 TIMING: 2771600 CPU: 8753.24, 0.0031378/step Wall: 8753.24, 0.0031378/step, 1.9423 hours remaining, 235.074219 MB of memory in use. ENERGY: 2771600 3956.4944 20389.8245 14500.8915 250.4115 -203249.4635 2633.4204 0.0000 0.0000 51756.2255 -109762.1956 297.4437 -161518.4211 -109403.6203 298.1673 -230.4731 -201.7160 764003.7342 2.3313 2.5300 PRESSURE: 2771800 -114.023 68.7403 35.1078 68.7401 193.48 -205.009 35.1082 -205.009 110.739 GPRESSURE: 2771800 -36.8223 7.27967 65.4273 16.309 194.486 -143.833 83.9507 -176.784 138.325 PRESSAVG: 2771800 -31.5877 -16.6077 11.6086 -16.6078 41.8769 -14.9704 11.6086 -14.9704 -0.0944312 GPRESSAVG: 2771800 -31.365 -15.0157 11.1478 -17.6191 42.2391 -16.3676 11.7056 -16.1464 -0.880656 TIMING: 2771800 CPU: 8753.87, 0.0031364/step Wall: 8753.87, 0.0031364/step, 1.94126 hours remaining, 235.085938 MB of memory in use. ENERGY: 2771800 3944.4141 20477.3652 14433.3505 235.4850 -203594.0063 2950.0145 0.0000 0.0000 51876.2314 -109677.1457 298.1334 -161553.3771 -109316.0945 297.8560 63.3984 98.6628 762792.8611 3.3982 3.3312 PRESSURE: 2772000 1.71589 163.742 283.113 163.742 -174.284 51.0049 283.113 51.005 298.789 GPRESSURE: 2772000 -4.20589 140.159 326.48 89.5524 -82.7541 -23.0378 152.719 -15.0977 284.662 PRESSAVG: 2772000 -35.7112 -22.6842 -9.06819 -22.6842 -0.642238 28.654 -9.06812 28.654 -7.06235 GPRESSAVG: 2772000 -35.643 -23.3323 -11.0203 -23.6106 -1.39963 27.8571 -9.47841 31.612 -6.1532 TIMING: 2772000 CPU: 8754.5, 0.0031288/step Wall: 8754.5, 0.0031288/step, 1.93638 hours remaining, 235.085938 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: 2772000 3976.0207 20476.1862 14379.1564 247.4793 -203768.6388 2897.5454 0.0000 0.0000 52125.6295 -109666.6213 299.5667 -161792.2509 -109299.3156 298.4820 42.0736 65.9007 761120.8800 -14.4719 -14.3986 PRESSURE: 2772200 -12.663 -289.299 161.143 -289.298 -118.255 -89.6418 161.144 -89.6414 -271.978 GPRESSURE: 2772200 -45.8723 -291.968 81.5965 -276.13 6.98984 -56.0951 138.018 43.4667 -273.282 PRESSAVG: 2772200 21.7863 -3.12738 32.5699 -3.12734 -38.8438 -23.4638 32.5698 -23.4638 -8.87289 GPRESSAVG: 2772200 22.2555 -4.02471 35.6692 -2.79119 -38.9637 -20.916 33.716 -25.6477 -9.78034 TIMING: 2772200 CPU: 8755.12, 0.00313835/step Wall: 8755.12, 0.00313835/step, 1.94211 hours remaining, 235.085938 MB of memory in use. ENERGY: 2772200 3923.0155 20339.9486 14515.8953 255.5190 -203228.3687 2544.3034 0.0000 0.0000 52068.7589 -109580.9281 299.2399 -161649.6870 -109214.1800 298.3827 -134.2987 -104.0549 763301.8361 -8.6435 -8.8295 LDB: ============= START OF LOAD BALANCING ============== 8767.66 LDB: ============== END OF LOAD BALANCING =============== 8767.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8767.66 LDB: ============= START OF LOAD BALANCING ============== 8767.97 LDB: Largest compute 7058 load 0.030851 is 15.8% of average load 0.195604 LDB: Average compute 0.004372 is 2.2% of average load 0.195604 LDB: TIME 8767.97 LOAD: AVG 0.195604 MAX 0.215359 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 8767.97 LOAD: AVG 0.195604 MAX 0.215359 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 8767.97 LOAD: AVG 0.195604 MAX 0.215359 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 8767.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8767.98 PRESSURE: 2772400 39.7729 -100.602 -21.2288 -100.601 372.857 104.046 -21.2289 104.047 428.423 GPRESSURE: 2772400 54.2773 -102.911 41.8462 -96.7605 420.658 151.598 -49.8651 127.878 435.091 PRESSAVG: 2772400 1.832 -36.2991 16.136 -36.299 -1.47619 -40.9086 16.1359 -40.9088 6.42205 GPRESSAVG: 2772400 2.03519 -37.552 16.6624 -35.399 -0.662115 -41.4171 15.3302 -41.167 5.20007 TIMING: 2772400 CPU: 8755.76, 0.00320253/step Wall: 8755.76, 0.00320253/step, 1.98165 hours remaining, 234.679688 MB of memory in use. ENERGY: 2772400 3947.4091 20626.5849 14472.6968 258.9665 -203567.8022 2845.1649 0.0000 0.0000 51861.5269 -109555.4530 298.0489 -161416.9799 -109212.9593 297.9491 280.3510 303.3423 763032.5520 2.2593 2.1911 PRESSURE: 2772600 -170.218 -111.655 -2.04852 -111.655 105.311 -119.358 -2.04751 -119.359 -293.507 GPRESSURE: 2772600 6.6541 -69.0342 -4.56768 -58.5356 9.97111 -75.2359 53.1354 -89.5911 -300.571 PRESSAVG: 2772600 34.9842 -25.8967 24.6733 -25.8967 -6.00524 13.8259 24.6732 13.8258 -11.148 GPRESSAVG: 2772600 34.5063 -22.8149 24.8314 -25.6613 -6.83648 13.6387 25.0118 14.6809 -9.97709 TIMING: 2772600 CPU: 8756.39, 0.00313572/step Wall: 8756.39, 0.00313572/step, 1.94014 hours remaining, 234.679688 MB of memory in use. ENERGY: 2772600 3953.6650 20462.3684 14510.4201 238.0257 -203465.3733 2709.2915 0.0000 0.0000 51983.7616 -109607.8410 298.7514 -161591.6026 -109247.2429 298.4041 -119.4712 -94.6486 762733.8698 5.9436 5.8976 PRESSURE: 2772800 -257.883 94.5027 372.31 94.5036 -26.4487 -157.186 372.31 -157.187 278.324 GPRESSURE: 2772800 -271.997 65.681 308.648 37.3582 19.8932 -99.8575 255.356 -81.5933 321.508 PRESSAVG: 2772800 17.4691 -25.4171 48.0818 -25.417 -9.40544 6.23671 48.0819 6.2368 -14.5001 GPRESSAVG: 2772800 16.9665 -27.2206 45.9623 -24.9734 -8.88663 6.58893 48.9577 5.42982 -14.8054 TIMING: 2772800 CPU: 8757.02, 0.00315582/step Wall: 8757.02, 0.00315582/step, 1.9524 hours remaining, 234.679688 MB of memory in use. ENERGY: 2772800 3971.8845 20398.4326 14534.5043 256.5439 -203167.9546 2518.6096 0.0000 0.0000 51951.5579 -109536.4219 298.5663 -161487.9798 -109178.4703 298.5588 -2.0024 23.1350 761258.9758 -2.1455 -2.2419 PRESSURE: 2773000 -106.008 -19.0585 -14.3066 -19.0579 107.902 138.132 -14.3062 138.132 28.9031 GPRESSURE: 2773000 -10.3562 -102.812 -20.4203 -44.8077 81.0698 111.099 28.1198 205.547 35.4511 PRESSAVG: 2773000 69.9388 2.15494 7.11827 2.15503 -51.8382 3.90601 7.11828 3.90605 -4.57505 GPRESSAVG: 2773000 69.9239 2.36299 8.37584 1.4132 -52.3437 4.0284 5.77087 4.54615 -4.32942 TIMING: 2773000 CPU: 8757.65, 0.00315191/step Wall: 8757.65, 0.00315191/step, 1.94981 hours remaining, 234.679688 MB of memory in use. ENERGY: 2773000 3973.2227 20509.1661 14534.4370 255.2483 -203220.5426 2696.5966 0.0000 0.0000 51807.6184 -109444.2534 297.7391 -161251.8718 -109082.4349 298.7478 10.2657 35.3882 763172.0910 4.5085 4.4169 PRESSURE: 2773200 178.173 -68.9653 -189.39 -68.9646 499.56 -87.3638 -189.39 -87.3645 -116.006 GPRESSURE: 2773200 246.145 -69.8218 -70.0317 -84.1854 461.523 -101.081 -171.982 -155.319 -76.2811 PRESSAVG: 2773200 9.03871 -31.9629 -2.36762 -31.963 -15.259 4.46824 -2.36765 4.46815 3.36507 GPRESSAVG: 2773200 9.97423 -31.844 -3.68159 -34.6288 -15.1169 3.60289 1.40055 5.65255 2.52029 TIMING: 2773200 CPU: 8758.28, 0.00314676/step Wall: 8758.28, 0.00314676/step, 1.94645 hours remaining, 234.679688 MB of memory in use. ENERGY: 2773200 3955.7670 20547.6835 14568.6584 249.2066 -203436.1847 2851.5939 0.0000 0.0000 51917.7456 -109345.5297 298.3720 -161263.2753 -108986.3633 298.6929 187.2424 210.4622 761236.6317 -0.9517 -0.8741 PRESSURE: 2773400 153.705 85.2977 166.329 85.2976 -150.476 -153.776 166.33 -153.776 -76.3077 GPRESSURE: 2773400 235.85 -23.6936 176.565 126.256 -132.528 -160.824 118.021 -120.264 -92.1037 PRESSAVG: 2773400 -8.37791 -29.4841 -2.4186 -29.4841 -2.71867 32.1872 -2.41858 32.1872 -17.0397 GPRESSAVG: 2773400 -8.97771 -30.0241 -1.92532 -27.2184 -3.06449 31.8377 -5.3643 31.3588 -16.926 TIMING: 2773400 CPU: 8758.91, 0.0031401/step Wall: 8758.91, 0.0031401/step, 1.94215 hours remaining, 234.679688 MB of memory in use. ENERGY: 2773400 3925.8309 20554.3916 14555.5781 224.8811 -203406.4399 2601.5686 0.0000 0.0000 52102.8724 -109441.3171 299.4359 -161544.1896 -109084.3721 299.1833 -24.3596 3.7395 762615.8130 -9.3787 -9.6561 PRESSURE: 2773600 -178.729 -97.4507 65.1611 -97.4515 -270.431 161.497 65.1608 161.496 -198.252 GPRESSURE: 2773600 -259.067 107.43 76.5113 -13.5411 -200.055 168.777 96.0679 180.08 -97.6879 PRESSAVG: 2773600 -46.0626 -36.3992 9.56004 -36.3992 24.3604 47.0916 9.56006 47.0918 -1.28206 GPRESSAVG: 2773600 -46.0677 -34.0075 10.7291 -37.4559 24.7315 47.015 10.5448 48.2041 -1.16057 TIMING: 2773600 CPU: 8759.54, 0.00314531/step Wall: 8759.54, 0.00314532/step, 1.9452 hours remaining, 234.679688 MB of memory in use. ENERGY: 2773600 3942.4567 20514.6181 14549.5198 235.8901 -203495.5810 2891.7004 0.0000 0.0000 51977.2359 -109384.1601 298.7139 -161361.3960 -109013.6197 298.8390 -215.8040 -185.6033 764178.6254 -7.6614 -7.4989 PRESSURE: 2773800 -324.143 -79.8945 122.928 -79.8947 -286.769 59.4131 122.928 59.413 121.531 GPRESSURE: 2773800 -330.701 -36.5447 124.573 -97.7427 -148.34 29.1819 197.491 79.1955 64.3665 PRESSAVG: 2773800 -31.9484 -12.2815 35.1229 -12.2816 88.4839 -7.92956 35.1229 -7.9295 0.615449 GPRESSAVG: 2773800 -32.9464 -12.5534 35.5496 -12.2386 89.119 -7.12875 34.972 -9.33211 0.640849 TIMING: 2773800 CPU: 8760.17, 0.00314738/step Wall: 8760.17, 0.00314738/step, 1.9463 hours remaining, 234.679688 MB of memory in use. ENERGY: 2773800 3993.7646 20487.7105 14543.8542 247.8679 -203101.0262 2245.1455 0.0000 0.0000 52321.6037 -109261.0798 300.6930 -161582.6835 -108907.6116 299.2178 -163.1268 -138.2248 762867.3505 19.0503 18.9378 PRESSURE: 2774000 86.5466 -76.4411 -32.1733 -76.4417 -146.781 -234.258 -32.1736 -234.258 -57.0385 GPRESSURE: 2774000 135.964 -138.177 -72.1673 -137.103 -152.153 -215.867 -84.8688 -143.995 -43.5133 PRESSAVG: 2774000 32.1954 -49.8514 17.2837 -49.8514 7.4472 -0.107861 17.2837 -0.10781 3.61593 GPRESSAVG: 2774000 31.9928 -52.547 16.9481 -49.5309 6.57517 -0.207589 15.8225 -0.567377 3.6529 TIMING: 2774000 CPU: 8760.8, 0.00315709/step Wall: 8760.8, 0.00315709/step, 1.95213 hours remaining, 234.679688 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: 2774000 3894.1939 20597.4072 14589.8551 240.6996 -203452.0840 2649.4918 0.0000 0.0000 52172.0154 -109308.4211 299.8333 -161480.4364 -108942.3079 299.4031 -39.0909 -19.9008 760325.5903 14.4195 14.0736 PRESSURE: 2774200 98.0001 48.1066 -51.546 48.1067 359.927 210.65 -51.5458 210.65 -297.704 GPRESSURE: 2774200 253.284 -50.4316 -78.076 142.12 359.015 161.986 -10.896 284.192 -364.564 PRESSAVG: 2774200 16.94 -33.3782 -46.932 -33.3782 -25.1581 27.4806 -46.932 27.4806 -19.5715 GPRESSAVG: 2774200 17.8052 -32.7793 -48.7266 -30.5186 -25.4743 28.2532 -45.3705 26.292 -20.3349 TIMING: 2774200 CPU: 8761.43, 0.00315012/step Wall: 8761.43, 0.00315012/step, 1.94765 hours remaining, 234.679688 MB of memory in use. ENERGY: 2774200 3903.8836 20442.3291 14532.7016 225.8714 -203505.1928 2736.8215 0.0000 0.0000 52268.0228 -109395.5627 300.3850 -161663.5856 -109042.5762 299.1186 53.4075 82.5782 760419.9916 -9.2632 -9.3347 PRESSURE: 2774400 189.082 -26.2204 -30.5461 -26.2204 -313.201 189.065 -30.5468 189.064 -117.822 GPRESSURE: 2774400 96.8351 47.0941 -67.1746 -32.6511 -203.773 95.5099 -22.5049 237.481 -34.9568 PRESSAVG: 2774400 47.8485 -38.6842 -5.07579 -38.6842 -32.3922 -21.0651 -5.07574 -21.0651 22.901 GPRESSAVG: 2774400 47.1129 -36.1806 -3.07504 -42.5492 -31.4184 -22.9314 -6.9711 -18.6535 22.7037 TIMING: 2774400 CPU: 8762.06, 0.00316307/step Wall: 8762.06, 0.00316307/step, 1.95548 hours remaining, 234.679688 MB of memory in use. ENERGY: 2774400 3955.6232 20447.9697 14522.2487 234.8376 -203432.5850 2564.3244 0.0000 0.0000 52118.4038 -109589.1776 299.5252 -161707.5814 -109227.7374 299.0104 -80.6472 -47.2981 763772.0906 12.7858 12.7994 PRESSURE: 2774600 38.8281 -60.6887 279.687 -60.6886 33.8022 -62.1422 279.688 -62.143 -134.522 GPRESSURE: 2774600 74.7317 20.4756 279.301 -119.579 89.0318 -31.5746 267.202 -6.12833 -141.869 PRESSAVG: 2774600 71.565 5.78226 -52.2159 5.78225 -38.6815 -18.7216 -52.2159 -18.7216 2.40052 GPRESSAVG: 2774600 71.4398 2.48655 -55.4347 9.24561 -39.9795 -19.1399 -49.8569 -19.9063 3.41652 TIMING: 2774600 CPU: 8762.7, 0.00317337/step Wall: 8762.7, 0.00317337/step, 1.96167 hours remaining, 234.679688 MB of memory in use. ENERGY: 2774600 4020.9208 20283.8714 14512.0644 248.4449 -203513.3890 2688.8692 0.0000 0.0000 51977.6174 -109781.6010 298.7161 -161759.2184 -109427.7922 298.7387 -20.6305 7.2980 762382.8772 11.7613 11.6256 PRESSURE: 2774800 -40.4501 18.5882 -29.6154 18.5878 303.577 -30.4031 -29.6158 -30.4035 -208.304 GPRESSURE: 2774800 74.7254 48.1789 -46.1267 -45.9116 219.196 -24.4515 -117.03 64.576 -161.745 PRESSAVG: 2774800 27.7047 -37.0284 35.239 -37.0284 2.28026 10.0117 35.239 10.0117 -22.8252 GPRESSAVG: 2774800 27.7674 -33.9491 37.3842 -38.0264 2.93907 11.3812 33.9219 8.64924 -23.1942 TIMING: 2774800 CPU: 8763.34, 0.0031889/step Wall: 8763.34, 0.0031889/step, 1.97109 hours remaining, 234.679688 MB of memory in use. ENERGY: 2774800 4024.8326 20427.3794 14555.1494 237.2634 -203753.3622 2766.7360 0.0000 0.0000 51819.4321 -109922.5692 297.8070 -161742.0013 -109557.1002 298.5207 18.2742 44.0590 762086.2569 2.3866 2.5041 PRESSURE: 2775000 -318.501 -6.17712 -115.744 -6.17718 -5.04395 236.558 -115.744 236.558 -417.066 GPRESSURE: 2775000 -289.774 1.79013 -219.187 12.8354 44.26 259.55 -115.934 149.675 -390.819 PRESSAVG: 2775000 -0.514551 -48.7745 -33.0331 -48.7745 -46.7785 28.8149 -33.0331 28.815 10.0684 GPRESSAVG: 2775000 -0.782658 -50.2743 -31.1792 -47.9834 -47.0468 26.7334 -34.7463 30.0755 10.2175 TIMING: 2775000 CPU: 8763.97, 0.00317907/step Wall: 8763.97, 0.00317907/step, 1.96484 hours remaining, 234.679688 MB of memory in use. ENERGY: 2775000 4027.2125 20369.9352 14462.7486 243.4206 -203755.5309 2820.3503 0.0000 0.0000 52075.2704 -109756.5934 299.2773 -161831.8638 -109408.9486 298.0409 -246.8706 -212.1111 761920.9014 -12.4082 -12.5373 PRESSURE: 2775200 -45.4531 -157.738 73.8634 -157.738 -339.638 -1.12839 73.863 -1.12818 74.2129 GPRESSURE: 2775200 -17.1926 -289.366 202.204 -185.006 -306.346 -25.8667 65.1746 -89.5272 92.2058 PRESSAVG: 2775200 14.6541 -39.0514 10.6489 -39.0514 -29.3612 14.4318 10.6489 14.4319 -23.083 GPRESSAVG: 2775200 13.5557 -38.6488 9.14984 -41.8532 -28.3672 16.6612 12.8795 12.5247 -22.9186 TIMING: 2775200 CPU: 8764.61, 0.00316993/step Wall: 8764.61, 0.00316993/step, 1.95902 hours remaining, 234.679688 MB of memory in use. ENERGY: 2775200 3937.7176 20440.2891 14601.2492 249.6491 -203289.3542 2557.2922 0.0000 0.0000 51783.8648 -109719.2921 297.6026 -161503.1569 -109360.6815 298.0037 -103.6262 -77.1109 764131.3451 -12.5967 -12.5767 PRESSURE: 2775400 124.937 78.3789 -54.5269 78.3785 -112.432 165.093 -54.5267 165.094 34.7024 GPRESSURE: 2775400 74.0063 46.4516 -64.8331 18.5038 -98.5367 132.475 52.4841 170.022 161.918 PRESSAVG: 2775400 15.9069 -17.9582 3.92176 -17.9582 -60.3416 66.4589 3.92177 66.4589 10.6607 GPRESSAVG: 2775400 16.4632 -17.6724 5.24084 -15.3347 -61.6571 65.3832 5.06453 67.6666 10.8616 TIMING: 2775400 CPU: 8765.23, 0.00313705/step Wall: 8765.23, 0.00313705/step, 1.93852 hours remaining, 234.679688 MB of memory in use. ENERGY: 2775400 4079.7252 20471.0124 14531.5736 240.6526 -203547.2159 2469.6704 0.0000 0.0000 51858.6040 -109895.9778 298.0321 -161754.5818 -109533.5087 297.5360 15.7355 45.7958 760885.7224 -11.2580 -11.4441 PRESSURE: 2775600 -125.484 36.5521 159.96 36.5512 121.192 -244.334 159.961 -244.334 -245.06 GPRESSURE: 2775600 -122.586 -3.09041 37.5874 -41.0093 183.276 -175.4 167.447 -156.477 -240.12 PRESSAVG: 2775600 38.9277 -1.42604 43.7901 -1.42604 -3.32165 35.3319 43.7901 35.3319 -1.04583 GPRESSAVG: 2775600 40.3809 -2.07952 42.0683 -0.630776 -4.13476 35.61 41.3709 36.3877 -1.6253 TIMING: 2775600 CPU: 8765.86, 0.00314833/step Wall: 8765.86, 0.00314833/step, 1.94532 hours remaining, 234.679688 MB of memory in use. ENERGY: 2775600 4010.5098 20312.5311 14484.4977 253.1254 -203674.5108 2785.7804 0.0000 0.0000 51984.6574 -109843.4090 298.7565 -161828.0663 -109483.9774 297.9676 -83.1171 -59.8101 762322.1383 11.5201 11.5403 PRESSURE: 2775800 -4.18302 -40.3553 -50.7411 -40.3543 -165.538 215.766 -50.7415 215.766 315.449 GPRESSURE: 2775800 37.735 -41.2577 -137.307 -53.4468 -61.0785 126.127 -67.5839 91.2983 282.565 PRESSAVG: 2775800 -20.4577 -59.7687 30.0348 -59.7686 -22.2413 22.8363 30.0347 22.8363 -28.6876 GPRESSAVG: 2775800 -22.1739 -60.68 29.3117 -62.2492 -19.9074 21.0683 30.6308 23.2476 -29.1249 TIMING: 2775800 CPU: 8766.49, 0.0031274/step Wall: 8766.49, 0.0031274/step, 1.93221 hours remaining, 234.679688 MB of memory in use. ENERGY: 2775800 3984.8368 20383.4249 14471.5030 236.3653 -203170.9471 2618.5828 0.0000 0.0000 51837.0607 -109639.1736 297.9083 -161476.2343 -109273.7905 298.9105 48.5761 86.4072 761582.4069 -23.7955 -23.7354 PRESSURE: 2776000 -188.707 224.604 -56.558 224.605 -168.5 -191.923 -56.5591 -191.922 161.209 GPRESSURE: 2776000 -199.102 230.487 -18.75 188.662 -72.0905 -105.567 -49.8392 -220.923 154.823 PRESSAVG: 2776000 29.7562 -25.0331 13.764 -25.0331 -58.2263 7.98545 13.764 7.98543 12.9967 GPRESSAVG: 2776000 30.1057 -24.6385 14.137 -25.6954 -59.3341 10.8092 14.7454 6.76957 13.3882 TIMING: 2776000 CPU: 8767.12, 0.00314929/step Wall: 8767.12, 0.00314929/step, 1.94556 hours remaining, 234.679688 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: 2776000 3989.2467 20447.7189 14548.3653 256.4266 -203238.3898 2448.5173 0.0000 0.0000 51866.6967 -109681.4183 298.0786 -161548.1150 -109323.7794 298.5784 -65.3327 -38.7898 761931.0870 -5.1578 -5.2801 PRESSURE: 2776200 212.769 0.978804 -109.227 0.978832 -3.50776 155.87 -109.227 155.871 -197.569 GPRESSURE: 2776200 171.894 -9.22561 -147.493 -66.9159 74.3712 164.558 -103.284 112.86 -145.864 PRESSAVG: 2776200 -32.09 4.55205 -35.9309 4.55204 11.6565 34.4875 -35.931 34.4875 4.82093 GPRESSAVG: 2776200 -31.8042 4.11852 -35.7916 6.34424 10.92 33.9348 -35.944 33.9286 5.10174 TIMING: 2776200 CPU: 8767.75, 0.00315913/step Wall: 8767.75, 0.00315913/step, 1.95147 hours remaining, 234.679688 MB of memory in use. ENERGY: 2776200 3952.1171 20449.8397 14531.5275 269.9459 -203949.7504 2921.7809 0.0000 0.0000 52024.4762 -109800.0633 298.9854 -161824.5395 -109441.4305 298.8495 3.8973 33.4672 760726.3950 -5.2042 -5.2608 LDB: ============= START OF LOAD BALANCING ============== 8780.28 LDB: ============== END OF LOAD BALANCING =============== 8780.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8780.28 LDB: ============= START OF LOAD BALANCING ============== 8780.6 LDB: Largest compute 7058 load 0.031555 is 16.1% of average load 0.195602 LDB: Average compute 0.004376 is 2.2% of average load 0.195602 LDB: TIME 8780.6 LOAD: AVG 0.195602 MAX 0.219526 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.59 MB LDB: TIME 8780.6 LOAD: AVG 0.195602 MAX 0.219526 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: TIME 8780.6 LOAD: AVG 0.195602 MAX 0.212788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.594 MB LDB: ============== END OF LOAD BALANCING =============== 8780.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8780.61 PRESSURE: 2776400 236.296 -51.5506 109.643 -51.5499 -34.7622 -229.144 109.643 -229.143 128.106 GPRESSURE: 2776400 216.968 1.5966 51.056 -41.5383 79.0355 -165.571 68.2078 -246.445 142.902 PRESSAVG: 2776400 -40.3952 -1.61469 73.727 -1.61467 17.9582 -9.88203 73.7269 -9.88205 12.6901 GPRESSAVG: 2776400 -39.7698 -0.266804 75.5389 -2.69474 17.4023 -10.5616 72.6111 -8.05763 13.3053 TIMING: 2776400 CPU: 8768.39, 0.0032026/step Wall: 8768.39, 0.0032026/step, 1.97814 hours remaining, 235.644531 MB of memory in use. ENERGY: 2776400 3967.1577 20450.7476 14468.2897 262.5640 -203439.3020 2567.8035 0.0000 0.0000 51962.2495 -109760.4901 298.6278 -161722.7396 -109404.1625 298.4879 109.8799 146.3017 760559.8722 -3.2490 -3.0208 PRESSURE: 2776600 145.209 76.7737 -293.067 76.7727 75.5841 202.327 -293.067 202.328 44.4314 GPRESSURE: 2776600 125.05 8.88678 -215.34 84.2768 74.7321 193.968 -222.964 76.9336 129.968 PRESSAVG: 2776600 -20.737 -12.8902 -1.9881 -12.8902 -11.0681 -53.5893 -1.98804 -53.5893 -0.610551 GPRESSAVG: 2776600 -22.1546 -12.4337 -3.68518 -12.1627 -9.40495 -54.8236 -1.80173 -54.4899 -0.930062 TIMING: 2776600 CPU: 8769.02, 0.00316003/step Wall: 8769.02, 0.00316003/step, 1.95167 hours remaining, 235.968750 MB of memory in use. ENERGY: 2776600 3888.4040 20391.4145 14513.9857 255.5859 -203353.0068 2849.6355 0.0000 0.0000 51676.5665 -109777.4146 296.9859 -161453.9811 -109413.8395 298.0762 88.4082 109.9168 762976.6529 -10.8052 -10.8299 PRESSURE: 2776800 -198.17 121.014 200.919 121.014 35.3911 -467.335 200.918 -467.334 226.293 GPRESSURE: 2776800 -162.96 131.302 206.712 116.539 53.2236 -409.225 230.302 -488.289 242.753 PRESSAVG: 2776800 -0.910396 5.15698 -11.873 5.15691 -12.6957 -44.5064 -11.8731 -44.5065 1.77708 GPRESSAVG: 2776800 0.395982 2.84973 -11.2171 5.7412 -13.2603 -43.0312 -10.6399 -45.7595 0.861578 TIMING: 2776800 CPU: 8769.65, 0.00314974/step Wall: 8769.65, 0.00314974/step, 1.94514 hours remaining, 236.039062 MB of memory in use. ENERGY: 2776800 3959.2604 20388.7157 14525.3457 244.9761 -203542.5395 2807.2764 0.0000 0.0000 51696.4046 -109920.5607 297.0999 -161616.9653 -109560.0813 298.0897 21.1715 44.3391 762029.2724 -3.9430 -4.0009 PRESSURE: 2777000 -339.926 -171.666 -53.442 -171.666 96.295 -33.0221 -53.4416 -33.0219 153.389 GPRESSURE: 2777000 -254.92 -96.5063 -17.1539 -136.704 114.649 -45.3004 -86.3811 -24.6888 134.927 PRESSAVG: 2777000 -19.1855 31.7543 40.3323 31.7543 20.4177 -144.842 40.3323 -144.842 19.3337 GPRESSAVG: 2777000 -20.2747 33.1194 40.3362 31.2244 20.7079 -144.906 36.7935 -143.836 19.9905 TIMING: 2777000 CPU: 8770.28, 0.00314271/step Wall: 8770.28, 0.00314271/step, 1.94062 hours remaining, 236.039062 MB of memory in use. ENERGY: 2777000 3962.0070 20359.3896 14483.1701 248.3424 -203352.6892 2691.7833 0.0000 0.0000 51897.8392 -109710.1576 298.2576 -161607.9968 -109341.3228 298.0249 -30.0808 -1.7813 763265.7084 6.8553 6.8079 PRESSURE: 2777200 19.9769 143.134 -62.0122 143.134 -189.936 109.818 -62.0118 109.818 -89.1864 GPRESSURE: 2777200 64.6585 70.0042 -73.5624 169.139 -200.997 -4.89754 32.7632 148.017 -14.1089 PRESSAVG: 2777200 -8.77122 17.6107 21.7061 17.6107 -3.17002 24.9509 21.706 24.9509 -5.75002 GPRESSAVG: 2777200 -8.10672 17.6437 22.0139 17.3511 -3.0464 23.9492 23.3979 26.9031 -5.76086 TIMING: 2777200 CPU: 8770.91, 0.00313398/step Wall: 8770.91, 0.00313398/step, 1.93506 hours remaining, 236.039062 MB of memory in use. ENERGY: 2777200 3950.7520 20238.5580 14476.2975 268.0232 -203017.0521 2546.0675 0.0000 0.0000 52045.4618 -109491.8921 299.1060 -161537.3539 -109131.7136 298.5396 -86.3817 -50.1493 761508.9402 -5.8971 -5.6380 PRESSURE: 2777400 -183.608 150.122 135.226 150.123 -223.147 -69.8502 135.226 -69.8505 -9.45065 GPRESSURE: 2777400 -221.782 80.8728 206.498 117.592 -107.503 -113.593 16.179 -84.6631 -0.485721 PRESSAVG: 2777400 8.46475 35.252 21.1147 35.252 -26.3611 -3.02158 21.1147 -3.02152 12.7259 GPRESSAVG: 2777400 7.87229 35.5434 22.2929 36.6659 -25.8382 -1.68249 21.7046 -5.26318 12.7564 TIMING: 2777400 CPU: 8771.54, 0.00314268/step Wall: 8771.54, 0.00314268/step, 1.94026 hours remaining, 236.039062 MB of memory in use. ENERGY: 2777400 3954.8949 20223.4539 14566.7601 262.0893 -202785.7926 2445.4557 0.0000 0.0000 51856.5454 -109476.5933 298.0203 -161333.1387 -109113.2686 298.4861 -138.7353 -109.9235 763222.6508 -1.7235 -1.7365 PRESSURE: 2777600 16.7568 -97.4884 -54.31 -97.4885 -107.889 131.782 -54.3088 131.783 63.3761 GPRESSURE: 2777600 34.3119 -97.2228 -132.332 -84.4972 12.0523 87.2443 26.6951 96.2123 25.4778 PRESSAVG: 2777600 26.9619 19.2495 -38.5326 19.2495 46.0286 8.55174 -38.5326 8.5518 -3.63371 GPRESSAVG: 2777600 27.4383 17.4052 -40.1466 19.0503 45.7282 9.50934 -40.7251 8.63097 -3.29907 TIMING: 2777600 CPU: 8772.16, 0.00313385/step Wall: 8772.16, 0.00313385/step, 1.93463 hours remaining, 236.039062 MB of memory in use. ENERGY: 2777600 3920.9213 20392.8374 14544.1241 251.7969 -202934.3383 2563.0359 0.0000 0.0000 51933.7208 -109327.9020 298.4638 -161261.6228 -108973.4846 298.5143 -9.2520 23.9473 762928.1447 23.1189 23.2891 PRESSURE: 2777800 71.6635 235.325 -61.273 235.325 126.671 161.038 -61.2728 161.037 147.285 GPRESSURE: 2777800 155.169 274.593 -101.627 265.431 81.3992 153.927 94.1437 156.022 193.773 PRESSAVG: 2777800 0.11187 18.6285 6.89005 18.6285 -21.4911 -42.2985 6.89003 -42.2984 8.84038 GPRESSAVG: 2777800 0.293526 21.427 6.46184 17.7489 -21.1554 -44.0852 8.11388 -39.4081 8.17104 TIMING: 2777800 CPU: 8772.79, 0.00314193/step Wall: 8772.79, 0.00314193/step, 1.93945 hours remaining, 236.039062 MB of memory in use. ENERGY: 2777800 3997.2822 20426.4929 14494.8088 238.5291 -203098.2509 2634.1049 0.0000 0.0000 52050.9271 -109256.1058 299.1374 -161307.0329 -108900.2336 299.0911 115.2066 143.4473 763040.3107 -4.1796 -4.2303 PRESSURE: 2778000 92.9893 201.35 -61.7066 201.351 -110.638 171.939 -61.7054 171.939 -23.0882 GPRESSURE: 2778000 100.721 140.151 19.5579 123.238 -38.8526 160.816 -152.642 146.164 -30.1172 PRESSAVG: 2778000 11.8579 44.8157 -46.1921 44.8157 0.596579 20.87 -46.1921 20.87 0.267866 GPRESSAVG: 2778000 11.7698 44.5447 -44.3216 44.291 -1.16072 22.0705 -47.1973 19.0503 1.80242 TIMING: 2778000 CPU: 8773.42, 0.00315589/step Wall: 8773.42, 0.00315589/step, 1.94789 hours remaining, 236.039062 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: 2778000 4009.5467 20357.6239 14461.7889 248.7901 -203302.9848 2596.0633 0.0000 0.0000 52092.1723 -109536.9996 299.3744 -161629.1719 -109178.7011 299.1018 -13.5790 10.5837 763471.8261 4.2408 4.1372 PRESSURE: 2778200 -18.6395 69.022 -85.0221 69.0216 -137.149 146.367 -85.0222 146.366 39.9318 GPRESSURE: 2778200 20.5115 129.497 -89.5827 149.975 -62.0736 159.401 62.8247 138.5 2.22307 PRESSAVG: 2778200 38.3732 49.8762 38.7652 49.8762 -6.71044 5.71002 38.7652 5.71004 -3.82828 GPRESSAVG: 2778200 37.617 49.3095 37.7465 52.3024 -5.10521 6.75335 40.0387 7.40182 -4.83645 TIMING: 2778200 CPU: 8774.05, 0.00314388/step Wall: 8774.05, 0.00314388/step, 1.9403 hours remaining, 236.039062 MB of memory in use. ENERGY: 2778200 3989.9783 20383.8180 14469.9108 261.0574 -203080.4694 2477.7230 0.0000 0.0000 51909.4794 -109588.5026 298.3245 -161497.9820 -109240.0752 298.8727 -38.6188 -13.1130 761925.6614 9.2782 9.2251 PRESSURE: 2778400 128.595 -175.081 -85.074 -175.082 -396.981 -5.82437 -85.0728 -5.82396 -25.2592 GPRESSURE: 2778400 97.805 -61.2058 -91.0999 -166.309 -301.104 -52.5576 -151.98 -21.4379 9.32812 PRESSAVG: 2778400 43.7946 47.9463 55.3143 47.9463 -31.5432 37.4101 55.3143 37.4101 13.3023 GPRESSAVG: 2778400 43.1447 47.809 56.0564 47.9696 -30.7547 35.2608 53.4605 35.3448 12.8716 TIMING: 2778400 CPU: 8774.68, 0.00313946/step Wall: 8774.68, 0.00313946/step, 1.93739 hours remaining, 236.050781 MB of memory in use. ENERGY: 2778400 3992.0244 20390.7195 14477.2999 249.5592 -203122.3234 2461.3031 0.0000 0.0000 52008.2655 -109543.1518 298.8922 -161551.4173 -109174.8554 298.1321 -97.8817 -64.6570 760756.3442 8.5179 8.4205 PRESSURE: 2778600 304.34 132.787 288.735 132.786 -119.2 57.3213 288.736 57.3219 -348.548 GPRESSURE: 2778600 255.243 151.223 175.158 83.9874 -39.1323 70.1915 278.432 134.922 -289.713 PRESSAVG: 2778600 45.9717 -6.40374 2.96327 -6.40371 -47.0412 47.3009 2.96338 47.3009 22.7236 GPRESSAVG: 2778600 47.7992 -7.08482 4.36907 -7.89881 -48.7441 47.6882 2.39436 49.5519 22.2423 TIMING: 2778600 CPU: 8775.31, 0.00314864/step Wall: 8775.31, 0.00314864/step, 1.94288 hours remaining, 236.050781 MB of memory in use. ENERGY: 2778600 3963.2248 20510.6505 14481.5343 252.5083 -202924.4266 2392.6749 0.0000 0.0000 51869.9511 -109453.8827 298.0973 -161323.8338 -109093.9439 298.9458 -54.4693 -24.5342 761915.4387 7.2180 7.0991 PRESSURE: 2778800 380.543 7.95441 82.2196 7.95393 168.641 23.6172 82.2195 23.6167 -37.8084 GPRESSURE: 2778800 402.544 85.0139 100.353 69.7656 200.688 21.445 140.982 94.6123 3.68742 PRESSAVG: 2778800 68.3489 -13.5647 23.8278 -13.5647 -37.7793 0.400944 23.8279 0.400918 4.28756 GPRESSAVG: 2778800 67.2423 -11.0589 23.3877 -15.0943 -38.0802 0.888164 24.9325 -2.64528 5.32139 TIMING: 2778800 CPU: 8775.94, 0.00314519/step Wall: 8775.94, 0.00314519/step, 1.94059 hours remaining, 236.050781 MB of memory in use. ENERGY: 2778800 3935.9448 20513.0488 14499.3048 267.0915 -203370.3806 2786.9866 0.0000 0.0000 51922.9900 -109445.0141 298.4021 -161368.0041 -109087.1861 299.0598 170.4584 202.3065 762679.0865 11.6191 11.4945 PRESSURE: 2779000 276.751 -68.4914 126.313 -68.4914 23.2813 73.0566 126.313 73.0566 47.3533 GPRESSURE: 2779000 373.74 -0.283726 144.756 -175.093 125.376 -14.5762 71.6728 76.8207 -51.9119 PRESSAVG: 2779000 27.6892 -41.0292 29.5279 -41.0292 -7.72647 -12.3282 29.5279 -12.3281 9.57149 GPRESSAVG: 2779000 29.3569 -41.8814 28.7568 -40.0687 -7.31267 -12.2006 30.1527 -11.3063 8.35015 TIMING: 2779000 CPU: 8776.57, 0.00313844/step Wall: 8776.57, 0.00313844/step, 1.93624 hours remaining, 236.050781 MB of memory in use. ENERGY: 2779000 3990.0404 20423.2990 14556.1673 229.4494 -203704.6170 2852.5787 0.0000 0.0000 52110.3662 -109542.7159 299.4790 -161653.0821 -109180.3392 298.3279 115.7952 149.0679 760614.9037 9.8447 10.1315 PRESSURE: 2779200 48.6695 10.4639 171.327 10.464 -28.536 301.608 171.327 301.608 282.452 GPRESSURE: 2779200 80.8555 -2.89355 256.113 12.6864 9.43018 258.423 215.134 374.245 302.448 PRESSAVG: 2779200 40.5776 -2.39341 -7.61723 -2.39348 -78.6258 41.791 -7.61723 41.791 1.18501 GPRESSAVG: 2779200 40.4296 -1.84727 -8.26056 -0.411205 -79.0673 43.0068 -7.72263 41.1932 1.78336 TIMING: 2779200 CPU: 8777.19, 0.00314461/step Wall: 8777.19, 0.0031446/step, 1.93987 hours remaining, 236.050781 MB of memory in use. ENERGY: 2779200 3880.7521 20577.1577 14549.8909 243.7720 -203554.3038 2718.3814 0.0000 0.0000 52107.4110 -109476.9386 299.4620 -161584.3496 -109110.6412 299.0720 100.8617 130.9112 761926.1449 -12.2877 -12.2848 PRESSURE: 2779400 -203.659 -5.98968 39.9194 -5.99046 -21.9841 -69.3909 39.92 -69.391 208.197 GPRESSURE: 2779400 -112.06 -58.9851 95.0009 46.3509 54.3333 -96.5855 -49.8016 -178.488 127.089 PRESSAVG: 2779400 -42.7167 -1.87158 27.3536 -1.87162 1.19556 10.6622 27.3536 10.6622 6.37082 GPRESSAVG: 2779400 -42.8501 -2.48018 28.7688 -4.12782 1.75471 10.6163 26.5319 11.4314 6.38446 TIMING: 2779400 CPU: 8777.82, 0.00314873/step Wall: 8777.82, 0.00314873/step, 1.94224 hours remaining, 236.050781 MB of memory in use. ENERGY: 2779400 3977.4375 20517.5408 14524.4890 269.4202 -203427.1506 2490.5593 0.0000 0.0000 51950.3447 -109697.3590 298.5593 -161647.7037 -109336.0505 298.7160 -5.8152 23.1209 762620.4846 -11.7168 -11.5703 PRESSURE: 2779600 77.3229 131.537 191.133 131.537 138.673 -159.033 191.132 -159.034 164.821 GPRESSURE: 2779600 151.755 146.307 215.693 201.406 108.884 -108.743 200.798 2.88428 210.796 PRESSAVG: 2779600 -2.83018 -13.0816 33.8359 -13.0816 -4.37977 -26.1552 33.8359 -26.1551 -28.9297 GPRESSAVG: 2779600 -2.78581 -14.9094 34.0922 -10.5025 -4.26089 -26.3887 35.9303 -26.5317 -28.898 TIMING: 2779600 CPU: 8778.45, 0.00312462/step Wall: 8778.45, 0.00312462/step, 1.92719 hours remaining, 236.050781 MB of memory in use. ENERGY: 2779600 3980.4771 20483.8520 14590.4792 257.5758 -203571.0791 2888.4604 0.0000 0.0000 51793.9219 -109576.3127 297.6604 -161370.2346 -109218.5807 298.6561 126.9390 157.1446 762329.1899 -12.0466 -11.9816 PRESSURE: 2779800 -151.191 169.631 -113.532 169.63 -60.711 53.5477 -113.533 53.5487 28.3535 GPRESSURE: 2779800 -154.739 21.3789 -115.512 83.3255 42.6228 -57.3228 -137.067 15.3344 15.5159 PRESSAVG: 2779800 10.1984 -7.43429 32.6707 -7.43426 -9.1476 -40.1489 32.6707 -40.1489 9.77789 GPRESSAVG: 2779800 10.6902 -5.06456 31.5333 -10.7971 -8.75206 -42.1647 30.8831 -39.0658 9.48272 TIMING: 2779800 CPU: 8779.08, 0.00314368/step Wall: 8779.08, 0.00314368/step, 1.93878 hours remaining, 236.050781 MB of memory in use. ENERGY: 2779800 3960.5651 20380.4325 14545.3980 240.3252 -203399.7498 2672.8393 0.0000 0.0000 52169.7267 -109430.4630 299.8201 -161600.1897 -109074.3252 298.6635 -61.1827 -32.2002 759747.6469 3.6095 3.8069 PRESSURE: 2780000 246.673 61.5803 176.919 61.5806 204.324 204.894 176.919 204.894 75.8048 GPRESSURE: 2780000 273.54 144.078 173.848 -40.6105 186.924 186.734 89.9248 114.348 133.932 PRESSAVG: 2780000 4.5942 15.7585 34.0441 15.7585 44.2852 -1.1451 34.0441 -1.14506 -0.919806 GPRESSAVG: 2780000 4.8737 14.7376 33.0464 17.2695 43.7791 2.88296 36.3849 -3.38846 -0.86576 TIMING: 2780000 CPU: 8779.71, 0.00314877/step Wall: 8779.71, 0.00314877/step, 1.94174 hours remaining, 236.050781 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: 2780000 3924.0047 20532.1175 14512.2360 251.2671 -203094.2060 2345.8430 0.0000 0.0000 52213.9532 -109314.7845 300.0743 -161528.7377 -108949.1729 299.6150 175.6008 198.1321 760513.5518 15.9865 15.9290 PRESSURE: 2780200 137.458 -139.296 84.489 -139.296 -78.3727 -168.265 84.4886 -168.264 -304.658 GPRESSURE: 2780200 168.753 -106.083 83.3817 -59.1854 -66.5747 -38.8263 -2.9439 -282.661 -250.717 PRESSAVG: 2780200 17.0082 -13.211 37.5756 -13.211 29.3651 18.3718 37.5756 18.3718 10.4965 GPRESSAVG: 2780200 16.4747 -13.4497 38.4527 -10.3488 29.4981 16.925 37.3383 19.7698 10.8529 TIMING: 2780200 CPU: 8780.34, 0.00315479/step Wall: 8780.34, 0.00315479/step, 1.94528 hours remaining, 236.050781 MB of memory in use. ENERGY: 2780200 4014.2964 20480.8882 14637.1514 240.6597 -203440.9649 2506.5909 0.0000 0.0000 51932.7270 -109628.6512 298.4581 -161561.3782 -109266.0235 298.5600 -81.8575 -49.5130 761157.4245 18.9566 18.9419 LDB: ============= START OF LOAD BALANCING ============== 8792.87 LDB: ============== END OF LOAD BALANCING =============== 8792.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8792.87 LDB: ============= START OF LOAD BALANCING ============== 8793.19 LDB: Largest compute 7026 load 0.031255 is 16.0% of average load 0.195589 LDB: Average compute 0.004370 is 2.2% of average load 0.195589 LDB: TIME 8793.19 LOAD: AVG 0.195589 MAX 0.212836 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 8793.19 LOAD: AVG 0.195589 MAX 0.212836 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 8793.19 LOAD: AVG 0.195589 MAX 0.212836 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 8793.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8793.2 PRESSURE: 2780400 -144.704 -33.3813 -95.1869 -33.381 -215.886 166.043 -95.1873 166.043 25.5029 GPRESSURE: 2780400 -55.8994 -64.7719 -174.967 -126.315 -227.604 117.91 -41.5791 63.9672 40.059 PRESSAVG: 2780400 18.761 -46.9954 19.8058 -46.9954 -15.8192 -62.6616 19.8059 -62.6616 -22.1273 GPRESSAVG: 2780400 19.7587 -46.2169 18.8762 -48.6699 -15.1216 -62.8028 18.1118 -63.9371 -23.7537 TIMING: 2780400 CPU: 8780.98, 0.00323015/step Wall: 8780.98, 0.00323015/step, 1.99157 hours remaining, 236.933594 MB of memory in use. ENERGY: 2780400 4015.3529 20562.6886 14519.3438 259.2033 -203333.4150 2299.7046 0.0000 0.0000 51883.6852 -109793.4366 298.1763 -161677.1218 -109441.7328 298.8819 -111.6958 -81.1481 761635.4592 -6.3952 -6.3722 PRESSURE: 2780600 231.748 -155.402 -94.4779 -155.403 -337.242 -162.957 -94.4775 -162.957 136.416 GPRESSURE: 2780600 219.819 -9.62017 -12.3517 -140.726 -219.344 -159.683 -79.4007 -17.6973 104.615 PRESSAVG: 2780600 79.4978 -29.8707 16.9024 -29.8708 -79.3705 15.1084 16.9025 15.1085 -2.14987 GPRESSAVG: 2780600 79.3215 -31.1825 19.1585 -28.6924 -79.7795 14.8304 16.3935 15.3154 -0.762051 TIMING: 2780600 CPU: 8781.62, 0.0031563/step Wall: 8781.62, 0.0031563/step, 1.94586 hours remaining, 237.074219 MB of memory in use. ENERGY: 2780600 4036.9917 20433.9153 14525.0868 241.3358 -203551.5079 2546.6904 0.0000 0.0000 51991.2810 -109776.2068 298.7946 -161767.4879 -109406.7336 298.3993 10.3075 35.0300 761336.9463 -0.6742 -0.4067 PRESSURE: 2780800 -226.017 -43.7405 49.1651 -43.7398 -34.7638 -143.051 49.1654 -143.052 -327.956 GPRESSURE: 2780800 -166.401 -110.722 66.6984 -28.6128 -93.3077 -82.8563 60.2499 -182.784 -250.286 PRESSAVG: 2780800 35.414 -24.2984 -24.2524 -24.2984 -48.4312 -61.1791 -24.2524 -61.1792 12.809 GPRESSAVG: 2780800 36.0412 -25.0153 -27.0277 -24.2103 -49.1628 -61.4392 -24.8082 -60.6816 12.4903 TIMING: 2780800 CPU: 8782.24, 0.00314038/step Wall: 8782.24, 0.00314038/step, 1.93587 hours remaining, 237.074219 MB of memory in use. ENERGY: 2780800 4098.1500 20450.7113 14532.8259 248.5942 -203638.3487 2585.6824 0.0000 0.0000 52011.7565 -109710.6285 298.9123 -161722.3850 -109351.9485 298.3546 -196.2456 -169.9980 761569.3826 -0.0694 -0.2104 PRESSURE: 2781000 -274.49 -50.5342 -182.362 -50.5338 -37.0363 1.92869 -182.363 1.92877 -44.6084 GPRESSURE: 2781000 -247.479 -13.6144 -182.25 -227.959 10.6688 -79.2395 -75.8982 101.918 -37.8791 PRESSAVG: 2781000 57.5021 -58.1682 15.7892 -58.1682 -42.6577 -27.6813 15.7892 -27.6814 -5.74653 GPRESSAVG: 2781000 56.8927 -56.718 15.5918 -60.0909 -41.3408 -29.2344 18.2744 -25.4601 -5.98633 TIMING: 2781000 CPU: 8782.88, 0.00318801/step Wall: 8782.88, 0.00318801/step, 1.96505 hours remaining, 237.074219 MB of memory in use. ENERGY: 2781000 4007.5696 20514.8623 14384.8551 244.6007 -203366.0876 2384.0302 0.0000 0.0000 52096.1693 -109734.0005 299.3974 -161830.1698 -109367.9532 298.9711 -118.7116 -91.5631 760064.0936 3.0326 3.1885 PRESSURE: 2781200 176.55 -340.892 61.7437 -340.891 -136.944 -82.9376 61.7435 -82.9375 85.3405 GPRESSURE: 2781200 168.562 -414.62 -20.6198 -266.38 -40.4309 -41.4967 -30.6978 -153.067 99.963 PRESSAVG: 2781200 25.7049 -45.2004 -11.7468 -45.2004 0.00515634 -29.8442 -11.7468 -29.8442 -6.24431 GPRESSAVG: 2781200 25.1019 -42.9069 -10.7206 -45.3211 -0.148336 -29.1405 -10.297 -30.2271 -5.46976 TIMING: 2781200 CPU: 8783.51, 0.00315963/step Wall: 8783.51, 0.00315963/step, 1.94739 hours remaining, 237.074219 MB of memory in use. ENERGY: 2781200 4062.5000 20545.1174 14477.9675 240.7674 -203606.5774 2711.0391 0.0000 0.0000 51805.2018 -109763.9842 297.7252 -161569.1860 -109398.7580 299.1552 41.6487 76.0314 760619.3368 6.4886 6.4946 PRESSURE: 2781400 -199.934 23.9485 -6.41748 23.9478 -149.081 81.1521 -6.41726 81.1524 519.883 GPRESSURE: 2781400 -96.7593 19.2695 39.1916 112.872 -25.7336 119.657 -96.9427 -49.1079 384.912 PRESSAVG: 2781400 5.50125 17.9162 33.1568 17.9162 -32.0588 17.8776 33.1569 17.8776 8.06163 GPRESSAVG: 2781400 5.68998 16.1026 33.4425 18.1562 -30.9781 17.1438 30.4235 17.2898 6.34959 TIMING: 2781400 CPU: 8784.14, 0.00313863/step Wall: 8784.14, 0.00313863/step, 1.93427 hours remaining, 237.062500 MB of memory in use. ENERGY: 2781400 3992.8768 20289.5256 14593.3989 239.8614 -203487.0004 2695.4441 0.0000 0.0000 52135.6581 -109540.2356 299.6243 -161675.8937 -109174.1864 298.8905 56.9561 87.4730 760775.9075 -6.1653 -6.3128 PRESSURE: 2781600 34.3025 -47.6107 -114.024 -47.6104 69.1658 -128.102 -114.024 -128.103 -119.617 GPRESSURE: 2781600 124.196 -4.40012 -55.1443 52.9402 50.2917 -162.112 -203.905 14.7875 -98.1511 PRESSAVG: 2781600 -33.5187 -28.1913 13.8062 -28.1914 28.9078 0.242562 13.8062 0.242462 -8.80801 GPRESSAVG: 2781600 -33.4286 -26.3556 14.8569 -29.7547 28.1038 -0.446165 14.0278 -0.48858 -8.20732 TIMING: 2781600 CPU: 8784.77, 0.00312633/step Wall: 8784.77, 0.00312633/step, 1.92652 hours remaining, 237.050781 MB of memory in use. ENERGY: 2781600 3925.9850 20516.2922 14492.9006 235.7055 -203571.0240 2566.0028 0.0000 0.0000 52111.4811 -109722.6566 299.4854 -161834.1378 -109357.1952 298.9929 -5.3828 25.4456 758915.7673 -4.4730 -4.5107 PRESSURE: 2781800 -176.647 56.9537 146.287 56.9529 -125.108 -51.7429 146.287 -51.7437 31.536 GPRESSURE: 2781800 -46.1158 -102.642 169.659 81.5802 -179.618 -67.8755 127.219 -23.5953 29.3317 PRESSAVG: 2781800 49.8188 -66.3588 7.77614 -66.3587 -18.4393 -21.9739 7.77612 -21.9739 -6.27438 GPRESSAVG: 2781800 49.9432 -69.1116 5.97541 -64.839 -18.419 -20.446 8.05155 -19.6141 -6.41356 TIMING: 2781800 CPU: 8785.39, 0.00314118/step Wall: 8785.39, 0.00314118/step, 1.93549 hours remaining, 237.062500 MB of memory in use. ENERGY: 2781800 4009.2639 20669.9048 14507.5021 244.9011 -203388.0869 2612.5192 0.0000 0.0000 51733.3316 -109610.6641 297.3122 -161343.9958 -109260.6168 298.9428 -90.0728 -65.4674 761421.3606 8.3684 8.3702 PRESSURE: 2782000 569.84 -81.6911 -31.272 -81.6919 376.291 -121.539 -31.2729 -121.538 295.92 GPRESSURE: 2782000 577.5 -106.555 70.2034 -89.777 352.983 -63.847 -13.6211 -26.1169 380.201 PRESSAVG: 2782000 44.7355 -27.2616 36.2145 -27.2617 -91.577 25.7854 36.2145 25.7854 2.25773 GPRESSAVG: 2782000 43.3517 -26.0615 36.8633 -27.039 -91.1813 24.8964 35.8955 25.7639 3.2688 TIMING: 2782000 CPU: 8786.03, 0.00315956/step Wall: 8786.03, 0.00315956/step, 1.94664 hours remaining, 237.062500 MB of memory 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 3953.3142 20503.5525 14549.2411 257.5122 -203647.2715 2854.2264 0.0000 0.0000 51884.5405 -109644.8846 298.1812 -161529.4251 -109292.2842 298.5426 414.0170 436.8948 760766.7730 -14.8613 -14.8536 PRESSURE: 2782200 115.447 -125.755 68.4808 -125.754 -180.57 23.0189 68.4813 23.0193 579.493 GPRESSURE: 2782200 120.565 -32.0255 11.2842 -109.558 -102.823 10.8082 138.304 8.81538 568.791 PRESSAVG: 2782200 -29.7711 -48.3929 34.966 -48.393 18.8625 -15.8029 34.966 -15.8029 14.9256 GPRESSAVG: 2782200 -29.5471 -45.4103 34.2949 -49.3895 19.1233 -14.523 34.7466 -19.9265 15.1064 TIMING: 2782200 CPU: 8786.66, 0.00315876/step Wall: 8786.66, 0.00315876/step, 1.94597 hours remaining, 237.062500 MB of memory in use. ENERGY: 2782200 3964.8266 20436.7036 14523.3210 246.1976 -203429.9101 2648.4397 0.0000 0.0000 51833.1137 -109777.3080 297.8856 -161610.4216 -109411.6857 298.8400 171.4569 195.5113 760260.5247 1.3390 1.5609 PRESSURE: 2782400 -264.314 62.7357 41.0938 62.7344 49.7462 171.108 41.0938 171.107 -195.479 GPRESSURE: 2782400 -220.86 -47.4847 127.291 -20.0412 106.446 229.204 184.051 168.437 -209.092 PRESSAVG: 2782400 -36.3693 -44.4401 28.549 -44.4401 14.5108 2.29899 28.549 2.299 3.24581 GPRESSAVG: 2782400 -35.5781 -48.0137 28.8383 -43.5264 13.8653 1.91804 27.6981 5.77071 2.89071 TIMING: 2782400 CPU: 8787.29, 0.00314935/step Wall: 8787.29, 0.00314935/step, 1.94 hours remaining, 237.062500 MB of memory in use. ENERGY: 2782400 3959.1754 20373.2602 14479.9083 244.1784 -203232.9419 2424.7991 0.0000 0.0000 51895.2175 -109856.4029 298.2425 -161751.6204 -109493.4812 298.2595 -136.6822 -107.8353 761324.1683 -6.2042 -6.2741 PRESSURE: 2782600 -104.486 -385.785 -44.9229 -385.785 -195.674 -70.7538 -44.9234 -70.7541 -155.129 GPRESSURE: 2782600 -66.3955 -279.129 -91.1067 -390.438 -130.323 -192.298 -1.87851 -106.588 -152.349 PRESSAVG: 2782600 -13.5586 -26.5804 24.7056 -26.5804 12.9512 -7.81218 24.7056 -7.81225 -5.87181 GPRESSAVG: 2782600 -13.9023 -26.2198 25.0425 -25.3749 12.8141 -8.52184 26.5277 -9.91153 -5.27816 TIMING: 2782600 CPU: 8787.92, 0.00314617/step Wall: 8787.92, 0.00314617/step, 1.93787 hours remaining, 237.074219 MB of memory in use. ENERGY: 2782600 3933.0848 20544.3998 14516.9783 249.2502 -202971.1305 2301.3617 0.0000 0.0000 51903.1497 -109522.9061 298.2881 -161426.0558 -109163.6375 298.9524 -151.7632 -116.3558 762799.7941 -2.1597 -2.1221 PRESSURE: 2782800 -31.6297 -239.494 122.383 -239.495 86.1139 -198.779 122.383 -198.779 -269.482 GPRESSURE: 2782800 -168.99 -299.964 64.977 -209.452 222.501 -191.39 111.125 -139.003 -191.08 PRESSAVG: 2782800 54.5554 -49.8901 5.40192 -49.8901 -39.7378 10.5332 5.402 10.5332 5.00992 GPRESSAVG: 2782800 54.6634 -50.9392 4.19985 -52.098 -38.5238 12.5656 3.70219 13.3114 3.07581 TIMING: 2782800 CPU: 8788.55, 0.00314007/step Wall: 8788.55, 0.00314007/step, 1.93393 hours remaining, 237.074219 MB of memory in use. ENERGY: 2782800 4043.3385 20594.7544 14545.7143 266.0114 -203511.3010 2646.6123 0.0000 0.0000 52098.9083 -109315.9618 299.4131 -161414.8700 -108965.6677 299.1029 -71.6660 -45.8564 761248.1160 6.6092 6.4051 PRESSURE: 2783000 57.4998 32.6361 37.2543 32.6355 -3.85257 240.93 37.2549 240.93 -371.924 GPRESSURE: 2783000 50.8207 159.193 90.2739 7.3504 -7.48231 251.437 60.0389 164.864 -272.586 PRESSAVG: 2783000 -7.68933 -30.4506 -14.717 -30.4505 -22.6214 8.83935 -14.717 8.83934 -17.06 GPRESSAVG: 2783000 -8.59762 -29.4303 -10.277 -29.5851 -23.518 7.4712 -13.9152 6.63722 -15.122 TIMING: 2783000 CPU: 8789.17, 0.00314048/step Wall: 8789.17, 0.00314048/step, 1.93401 hours remaining, 237.074219 MB of memory in use. ENERGY: 2783000 4020.3749 20656.3336 14427.0434 238.3323 -203302.8321 2454.1297 0.0000 0.0000 52157.6557 -109348.9624 299.7508 -161506.6182 -108986.8229 299.3424 -106.0924 -76.4158 760934.6709 -15.7903 -15.7459 PRESSURE: 2783200 -220.013 53.1721 81.636 53.1725 -236.44 -121.958 81.637 -121.958 32.039 GPRESSURE: 2783200 -202.985 67.9145 111.138 48.3141 -195.827 -127.935 36.1176 -39.8447 48.3871 PRESSAVG: 2783200 -23.2872 -25.9903 15.8526 -25.9903 43.3903 -8.65624 15.8526 -8.65625 -23.4045 GPRESSAVG: 2783200 -23.1834 -27.6347 12.9093 -26.4974 44.4392 -9.32287 14.1197 -9.55854 -24.1531 TIMING: 2783200 CPU: 8789.8, 0.0031368/step Wall: 8789.8, 0.0031368/step, 1.93157 hours remaining, 237.074219 MB of memory in use. ENERGY: 2783200 4003.6316 20562.6990 14442.8689 232.4609 -203212.9008 2544.3647 0.0000 0.0000 52093.6582 -109333.2176 299.3830 -161426.8758 -108978.0390 299.3995 -141.4710 -116.8083 763013.0923 -1.1005 -0.9658 PRESSURE: 2783400 187.347 -133.605 99.5573 -133.604 -141.328 -25.7318 99.5577 -25.7315 -277.976 GPRESSURE: 2783400 126.805 -46.9086 224.207 -83.1556 -22.8243 51.3564 117.799 -134.892 -243.653 PRESSAVG: 2783400 -55.4818 -40.6574 2.04756 -40.6574 55.4326 -34.3144 2.04752 -34.3144 -5.43224 GPRESSAVG: 2783400 -55.6315 -40.0719 2.01147 -40.2398 55.4899 -33.2609 4.94272 -33.7927 -4.74352 TIMING: 2783400 CPU: 8790.43, 0.00313349/step Wall: 8790.43, 0.00313349/step, 1.92936 hours remaining, 237.074219 MB of memory in use. ENERGY: 2783400 3949.3155 20723.7366 14457.7245 235.6808 -203246.8222 2349.5260 0.0000 0.0000 52108.5923 -109422.2465 299.4688 -161530.8388 -109062.8501 299.2454 -77.3189 -46.5574 761878.4261 -1.8272 -1.6284 PRESSURE: 2783600 294.616 -23.1636 64.3955 -23.1633 150.419 -27.4761 64.3961 -27.4753 -109.125 GPRESSURE: 2783600 223.089 -12.7658 43.3531 153.982 270.907 -68.879 -16.3374 33.6348 -80.6527 PRESSAVG: 2783600 40.5003 -9.75969 -3.97589 -9.75964 -10.9151 -3.7367 -3.97586 -3.73679 9.68538 GPRESSAVG: 2783600 40.9826 -6.89253 -4.55798 -10.4258 -11.3129 -4.1626 -4.13928 -1.34922 8.9362 TIMING: 2783600 CPU: 8791.06, 0.00315056/step Wall: 8791.06, 0.00315056/step, 1.93969 hours remaining, 237.140625 MB of memory in use. ENERGY: 2783600 3895.7960 20567.3330 14445.2438 268.8366 -203132.4094 2496.1234 0.0000 0.0000 52078.7187 -109380.3580 299.2971 -161459.0767 -109016.7774 299.0713 111.9700 137.7810 760540.8606 13.0902 12.8686 PRESSURE: 2783800 223.056 -227.144 137.218 -227.143 156.583 -231.742 137.219 -231.741 117.687 GPRESSURE: 2783800 382.37 -96.6526 173.131 -229.928 139.114 -273.755 102.341 -109.337 68.761 PRESSAVG: 2783800 5.94557 -12.8291 1.54676 -12.8291 -0.548481 -18.76 1.54678 -18.7599 0.872646 GPRESSAVG: 2783800 6.75153 -15.3533 -0.20354 -11.9741 -0.811789 -17.6972 1.24487 -21.2163 0.457894 TIMING: 2783800 CPU: 8791.69, 0.00313566/step Wall: 8791.69, 0.00313566/step, 1.93035 hours remaining, 237.140625 MB of memory in use. ENERGY: 2783800 3979.7792 20490.1440 14492.2858 247.2613 -203501.6258 2914.0525 0.0000 0.0000 52029.7202 -109348.3828 299.0155 -161378.1030 -108990.5938 298.8701 165.7754 196.7482 761796.3434 2.0899 2.1325 PRESSURE: 2784000 -91.6968 -112.306 211.76 -112.307 206.17 4.96619 211.76 4.96564 -104.01 GPRESSURE: 2784000 -66.4084 -17.6515 192.556 -194.502 208.863 39.734 237.276 -118.187 -56.8982 PRESSAVG: 2784000 -6.56226 -2.83924 17.8075 -2.83922 11.3979 -24.8524 17.8075 -24.8524 0.427618 GPRESSAVG: 2784000 -7.98785 -2.38249 19.7388 -3.64778 11.6543 -24.8919 16.1242 -24.7298 1.33185 TIMING: 2784000 CPU: 8792.31, 0.00314949/step Wall: 8792.31, 0.00314949/step, 1.93868 hours remaining, 237.140625 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: 2784000 3968.8068 20474.6188 14515.8243 252.7199 -203470.1699 2724.1805 0.0000 0.0000 52091.5911 -109442.4284 299.3711 -161534.0195 -109074.8331 299.5451 3.4876 28.5187 762151.1801 1.7544 1.6661 PRESSURE: 2784200 -210.998 -30.7839 305.475 -30.7842 -264.514 -197.691 305.475 -197.691 134.725 GPRESSURE: 2784200 -174.546 -25.3385 204.354 -63.8575 -230.488 -237.708 316.52 -238.733 151.67 PRESSAVG: 2784200 6.06268 -35.0409 -32.2461 -35.041 15.4111 3.52929 -32.2461 3.52935 0.536477 GPRESSAVG: 2784200 5.64785 -34.2835 -32.1392 -33.3309 14.4288 3.10064 -31.6094 5.47427 1.91357 TIMING: 2784200 CPU: 8792.94, 0.00313734/step Wall: 8792.94, 0.00313734/step, 1.93103 hours remaining, 237.140625 MB of memory in use. ENERGY: 2784200 4024.5773 20624.8439 14477.5284 244.5243 -202728.7105 2122.0316 0.0000 0.0000 51866.7365 -109368.4684 298.0788 -161235.2050 -109009.0457 299.3308 -113.5956 -84.4546 761619.4975 7.3367 7.3301 LDB: ============= START OF LOAD BALANCING ============== 8805.48 LDB: ============== END OF LOAD BALANCING =============== 8805.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8805.48 LDB: ============= START OF LOAD BALANCING ============== 8805.79 LDB: Largest compute 7064 load 0.029828 is 15.3% of average load 0.195513 LDB: Average compute 0.004385 is 2.2% of average load 0.195513 LDB: TIME 8805.8 LOAD: AVG 0.195513 MAX 0.215655 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.965 MB LDB: TIME 8805.8 LOAD: AVG 0.195513 MAX 0.215655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: TIME 8805.8 LOAD: AVG 0.195513 MAX 0.215655 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: ============== END OF LOAD BALANCING =============== 8805.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8805.8 PRESSURE: 2784400 36.0677 -178.95 27.9562 -178.951 87.7037 -148.867 27.9557 -148.867 -54.9502 GPRESSURE: 2784400 74.437 -111.41 -19.65 -187.847 124.97 -156.644 44.8282 -62.13 -53.6007 PRESSAVG: 2784400 13.9087 -28.9104 8.1272 -28.9104 -17.7255 -14.8031 8.12721 -14.803 25.7032 GPRESSAVG: 2784400 14.1134 -29.8786 9.35184 -30.1902 -15.7894 -16.276 8.40071 -16.0433 23.2263 TIMING: 2784400 CPU: 8793.59, 0.00322473/step Wall: 8793.59, 0.00322473/step, 1.98464 hours remaining, 234.988281 MB of memory in use. ENERGY: 2784400 4031.3767 20512.4469 14505.4656 247.7536 -203357.6353 2539.6088 0.0000 0.0000 52067.9502 -109453.0335 299.2352 -161520.9837 -109092.4991 299.4904 22.9404 48.6021 762663.4786 7.2954 7.1834 PRESSURE: 2784600 -92.1897 -202.122 -101.489 -202.122 -314.719 -326.091 -101.488 -326.092 -332.889 GPRESSURE: 2784600 -42.8869 -288.805 -28.2457 -74.5962 -290.707 -271.308 -195.303 -255.65 -314.67 PRESSAVG: 2784600 33.8273 -31.7816 -6.75137 -31.7816 -52.719 -1.38788 -6.75138 -1.38796 29.6085 GPRESSAVG: 2784600 33.6112 -31.3641 -6.16729 -31.1396 -54.1612 -0.00712265 -7.32055 -1.02911 31.3334 TIMING: 2784600 CPU: 8794.22, 0.00314198/step Wall: 8794.22, 0.00314198/step, 1.93354 hours remaining, 234.988281 MB of memory in use. ENERGY: 2784600 3923.9923 20498.6033 14416.8967 248.3569 -202714.9491 2260.9955 0.0000 0.0000 52023.5067 -109342.5977 298.9798 -161366.1044 -108966.7756 299.0910 -246.5994 -216.0881 762573.7021 3.5723 3.5945 PRESSURE: 2784800 178.283 -7.36401 17.04 -7.36452 -131.037 -256.761 17.0399 -256.761 19.8235 GPRESSURE: 2784800 141.92 61.3488 22.8781 -4.94045 -21.7139 -231.22 -87.9215 -79.9719 23.3413 PRESSAVG: 2784800 7.59074 -10.6343 6.22856 -10.6343 -34.2835 4.75528 6.22863 4.75516 3.04874 GPRESSAVG: 2784800 6.77601 -10.9145 4.87447 -11.4538 -33.598 5.59536 7.10631 5.3941 2.22288 TIMING: 2784800 CPU: 8794.84, 0.00314208/step Wall: 8794.84, 0.00314207/step, 1.93342 hours remaining, 234.988281 MB of memory in use. ENERGY: 2784800 4050.3418 20409.4890 14501.3626 233.5114 -203303.2850 2620.1829 0.0000 0.0000 52147.1176 -109341.2796 299.6902 -161488.3972 -108975.8474 299.5142 22.3564 47.8492 763081.1701 -7.8813 -8.1997 PRESSURE: 2785000 -49.131 -71.5267 -67.2736 -71.5263 -118.196 -133.284 -67.274 -133.283 -23.238 GPRESSURE: 2785000 -20.6947 -81.6502 -147.085 -78.7611 -81.1158 -26.837 -63.6828 -142.881 -6.55286 PRESSAVG: 2785000 6.79027 -31.1158 -4.8383 -31.1158 17.267 -10.7992 -4.83834 -10.7992 35.2823 GPRESSAVG: 2785000 8.99527 -30.7371 -5.56996 -30.7724 15.1731 -12.0063 -3.79469 -12.2876 34.9346 TIMING: 2785000 CPU: 8795.47, 0.00315018/step Wall: 8795.47, 0.00315019/step, 1.93824 hours remaining, 234.988281 MB of memory in use. ENERGY: 2785000 4015.9028 20506.0872 14441.3258 249.1378 -203503.9812 2696.1404 0.0000 0.0000 52021.1333 -109574.2538 298.9662 -161595.3871 -109214.4997 299.2419 -63.5218 -36.1211 763527.6274 19.7799 19.7010 PRESSURE: 2785200 -152.17 -222.057 257.809 -222.057 1.05474 70.0594 257.808 70.0591 -378.01 GPRESSURE: 2785200 -115.103 -245.333 135.672 -174.905 72.406 55.3286 206.832 171.74 -398.883 PRESSAVG: 2785200 32.8677 -12.0673 31.959 -12.0673 -0.0633042 -27.0134 31.959 -27.0134 0.585361 GPRESSAVG: 2785200 31.278 -12.0465 31.402 -11.2797 0.535177 -26.4636 30.6715 -24.7905 0.81069 TIMING: 2785200 CPU: 8796.1, 0.00313299/step Wall: 8796.1, 0.00313299/step, 1.92748 hours remaining, 234.988281 MB of memory in use. ENERGY: 2785200 3970.7075 20693.7741 14477.4849 246.0708 -202991.0321 2196.8761 0.0000 0.0000 51902.9795 -109503.1392 298.2871 -161406.1187 -109150.0948 299.3112 -176.3750 -147.1932 762429.0314 11.1299 10.8746 PRESSURE: 2785400 -275.844 94.3883 -137.873 94.3877 -31.8321 -398.964 -137.874 -398.964 -357.648 GPRESSURE: 2785400 -268.418 16.9012 -102.958 91.2644 32.5787 -403.465 -64.3909 -207.814 -324.875 PRESSAVG: 2785400 -22.0845 -84.0512 24.2193 -84.0513 -0.61522 -42.3177 24.2193 -42.3178 4.34862 GPRESSAVG: 2785400 -20.6491 -84.8131 25.8875 -85.4541 -1.14825 -41.0164 24.1658 -41.8143 3.26169 TIMING: 2785400 CPU: 8796.73, 0.00315346/step Wall: 8796.73, 0.00315346/step, 1.9399 hours remaining, 234.988281 MB of memory in use. ENERGY: 2785400 3929.7869 20546.3769 14556.4401 259.9550 -203078.0848 2330.8636 0.0000 0.0000 52086.4628 -109368.1995 299.3416 -161454.6623 -109009.7969 299.3567 -221.7747 -186.9049 761891.2701 -6.1170 -6.1785 PRESSURE: 2785600 301.784 -64.4007 72.3204 -64.4012 -73.834 -19.4237 72.321 -19.4235 -100.951 GPRESSURE: 2785600 294.407 -98.154 30.4627 -56.2235 -26.54 43.5406 48.3489 -43.7424 -55.6375 PRESSAVG: 2785600 26.2568 8.48932 -1.90619 8.48934 -40.6247 -9.14882 -1.90625 -9.14884 -5.42037 GPRESSAVG: 2785600 25.6198 8.05161 -2.34929 11.2086 -40.4942 -9.61058 -1.17558 -11.3852 -5.00065 TIMING: 2785600 CPU: 8797.36, 0.00316074/step Wall: 8797.36, 0.00316074/step, 1.9442 hours remaining, 234.988281 MB of memory in use. ENERGY: 2785600 4043.1285 20372.6004 14497.5358 261.1226 -203540.2432 2980.2264 0.0000 0.0000 52093.5704 -109292.0592 299.3825 -161385.6296 -108930.1383 298.9220 42.3329 70.7433 763002.6866 -6.5961 -6.6250 PRESSURE: 2785800 -117.376 -78.8033 -167.21 -78.8038 58.4338 -120.47 -167.21 -120.471 -265.202 GPRESSURE: 2785800 -39.3618 -122.685 -159.439 -58.8351 136.187 -123.358 15.5593 -176.878 -344.518 PRESSAVG: 2785800 48.7238 -36.6577 -39.2485 -36.6577 -62.7462 11.3581 -39.2485 11.358 -24.1571 GPRESSAVG: 2785800 47.4339 -37.1155 -38.6003 -38.3494 -62.3709 11.7275 -39.4434 9.87532 -23.3979 TIMING: 2785800 CPU: 8797.99, 0.00314613/step Wall: 8797.99, 0.00314613/step, 1.93505 hours remaining, 234.988281 MB of memory in use. ENERGY: 2785800 4006.4840 20588.3789 14504.9140 238.4187 -202994.5795 2338.7438 0.0000 0.0000 51906.3816 -109411.2585 298.3067 -161317.6401 -109052.3406 298.8562 -108.0481 -82.5644 763745.3332 -12.7265 -12.7783 PRESSURE: 2786000 86.4409 172.783 46.8698 172.784 163.549 -68.8515 46.87 -68.8529 -101.572 GPRESSURE: 2786000 62.0185 45.1001 -46.357 141.549 238.388 -158.805 34.1874 -115.61 -72.9955 PRESSAVG: 2786000 -12.509 22.5047 12.8074 22.5046 33.0599 -10.3941 12.8074 -10.3942 -26.9792 GPRESSAVG: 2786000 -11.8846 23.214 11.9039 23.7157 32.6837 -11.2674 12.6188 -9.85598 -27.9562 TIMING: 2786000 CPU: 8798.62, 0.00313072/step Wall: 8798.62, 0.00313072/step, 1.92539 hours remaining, 234.988281 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: 2786000 3993.1610 20483.3123 14559.9013 251.3089 -203390.5040 2696.7309 0.0000 0.0000 51804.3710 -109601.7185 297.7204 -161406.0895 -109239.8892 299.2375 49.4727 75.8037 762247.3043 -2.1428 -2.3857 PRESSURE: 2786200 230.204 -164.101 141.052 -164.101 160.264 181.007 141.052 181.007 614.158 GPRESSURE: 2786200 194.902 -62.363 101.925 -176.176 287.642 236.521 151.032 105.761 597.969 PRESSAVG: 2786200 -18.1227 0.818246 -38.7493 0.81824 5.38514 -0.565661 -38.7494 -0.565625 11.4066 GPRESSAVG: 2786200 -18.9327 1.40495 -39.1723 -1.3444 6.15683 0.560827 -37.8228 -2.57341 11.88 TIMING: 2786200 CPU: 8799.25, 0.00314539/step Wall: 8799.25, 0.00314539/step, 1.93424 hours remaining, 234.988281 MB of memory in use. ENERGY: 2786200 3901.5139 20495.3897 14457.4942 237.9156 -203657.0730 2978.4900 0.0000 0.0000 51795.3313 -109790.9383 297.6685 -161586.2696 -109433.2875 298.1600 334.8751 360.1712 761551.9048 -0.4437 -0.2986 PRESSURE: 2786400 132.073 -220.908 133.688 -220.908 -107.553 114.46 133.689 114.46 -42.7451 GPRESSURE: 2786400 186.241 -124.268 166.114 -71.0984 -11.1375 34.8848 73.9606 83.186 -125.422 PRESSAVG: 2786400 -12.3739 -66.8309 8.00532 -66.8308 39.8223 -1.3356 8.0053 -1.33564 7.78081 GPRESSAVG: 2786400 -11.2244 -65.5587 7.57401 -66.5997 38.9968 -3.12531 8.16422 1.54474 7.90397 TIMING: 2786400 CPU: 8799.87, 0.00312939/step Wall: 8799.87, 0.00312939/step, 1.92423 hours remaining, 234.988281 MB of memory in use. ENERGY: 2786400 3947.6735 20417.5039 14486.7018 268.9366 -203589.2590 2585.8180 0.0000 0.0000 52195.4388 -109687.1862 299.9679 -161882.6251 -109325.8682 298.1689 -6.0751 16.5604 762574.5296 11.7431 11.8921 PRESSURE: 2786600 -276.138 -216.938 4.53718 -216.939 101.893 -96.2592 4.53663 -96.2597 21.6308 GPRESSURE: 2786600 -196.848 -352.254 20.5037 -285.794 136.709 -82.7133 74.5123 -33.1193 -23.0199 PRESSAVG: 2786600 30.1675 -81.9934 29.636 -81.9934 -39.3014 -60.7908 29.636 -60.791 10.048 GPRESSAVG: 2786600 29.9909 -82.772 31.7466 -82.6159 -38.9116 -60.9361 30.9284 -59.4942 10.185 TIMING: 2786600 CPU: 8800.51, 0.00316283/step Wall: 8800.51, 0.00316283/step, 1.94461 hours remaining, 234.988281 MB of memory in use. ENERGY: 2786600 3998.7317 20379.6028 14488.8767 239.0392 -203468.1761 2645.2973 0.0000 0.0000 52100.1258 -109616.5026 299.4201 -161716.6284 -109245.2620 298.7930 -50.8712 -27.7197 763295.5297 0.3047 0.4215 PRESSURE: 2786800 -85.7918 19.6823 61.324 19.6818 190.481 -3.73822 61.3241 -3.73822 -72.0342 GPRESSURE: 2786800 5.11945 -33.0817 33.0471 56.5237 177.964 48.1378 77.3392 -94.4206 -85.2092 PRESSAVG: 2786800 -68.9732 -38.9287 -15.3171 -38.9286 12.4583 -25.8027 -15.3171 -25.8028 -11.1613 GPRESSAVG: 2786800 -68.3138 -38.4884 -15.8316 -37.5046 12.1634 -25.6935 -19.0433 -26.256 -11.3593 TIMING: 2786800 CPU: 8801.13, 0.00313801/step Wall: 8801.13, 0.00313801/step, 1.92918 hours remaining, 234.988281 MB of memory in use. ENERGY: 2786800 3941.9455 20452.2348 14476.5414 240.2449 -203432.6069 2672.9973 0.0000 0.0000 51925.1207 -109723.5224 298.4144 -161648.6430 -109349.5804 298.4196 10.8848 32.6246 762949.5703 -22.5587 -22.5032 PRESSURE: 2787000 -190.96 -173.317 92.7062 -173.317 184.096 26.6746 92.7064 26.6745 170.485 GPRESSURE: 2787000 -130.718 -137.39 -37.747 -107.118 239.442 78.9258 166.203 89.8619 133.189 PRESSAVG: 2787000 12.848 8.26452 -5.74891 8.26456 8.11729 4.86447 -5.74895 4.86448 3.9957 GPRESSAVG: 2787000 12.1405 6.66544 -5.20893 8.06737 7.63035 5.46302 -5.82061 3.76074 4.87006 TIMING: 2787000 CPU: 8801.76, 0.00314057/step Wall: 8801.76, 0.00314057/step, 1.93058 hours remaining, 234.988281 MB of memory in use. ENERGY: 2787000 3964.1748 20617.8457 14510.5304 240.1814 -203303.4263 2471.5061 0.0000 0.0000 51840.1553 -109659.0326 297.9261 -161499.1879 -109297.2128 299.0223 54.5406 80.6375 760745.1454 8.3203 8.2136 PRESSURE: 2787200 -197.09 -42.1602 -0.896627 -42.1598 -461.805 46.1149 -0.896075 46.1149 -296.856 GPRESSURE: 2787200 -154.101 -48.7772 -13.1048 26.772 -360.091 -19.2503 -65.1517 -109.845 -350.119 PRESSAVG: 2787200 15.9735 -39.6563 3.91346 -39.6563 -22.8991 6.80742 3.91356 6.80741 3.539 GPRESSAVG: 2787200 15.62 -41.4993 3.37951 -36.6363 -21.4681 6.71936 3.27538 6.61887 2.48901 TIMING: 2787200 CPU: 8802.39, 0.00313972/step Wall: 8802.39, 0.00313972/step, 1.92988 hours remaining, 234.988281 MB of memory in use. ENERGY: 2787200 3951.5320 20481.8772 14485.8213 228.3653 -203000.4197 2335.9027 0.0000 0.0000 52004.0584 -109512.8627 298.8680 -161516.9212 -109144.3073 298.6685 -318.5835 -288.1037 763485.4172 -1.1289 -1.1197 PRESSURE: 2787400 -134.987 18.7422 -273.095 18.7427 235.795 206.111 -273.096 206.11 -111.923 GPRESSURE: 2787400 -24.3049 -35.7665 -267.175 13.0167 181.445 212.253 -29.0544 274.586 -100.103 PRESSAVG: 2787400 17.3149 -21.7902 -27.7194 -21.7902 -29.6246 46.5617 -27.7195 46.5616 6.93219 GPRESSAVG: 2787400 17.6427 -20.3664 -28.4857 -23.221 -30.2286 44.5602 -26.117 48.5857 6.80872 TIMING: 2787400 CPU: 8803.02, 0.00314746/step Wall: 8803.02, 0.00314746/step, 1.93447 hours remaining, 234.988281 MB of memory in use. ENERGY: 2787400 3981.1274 20420.4704 14522.6334 243.6452 -203816.8636 2855.2116 0.0000 0.0000 52003.3798 -109790.3958 298.8641 -161793.7756 -109436.0456 298.6606 -3.7049 19.0122 761230.7829 -1.7925 -1.9258 PRESSURE: 2787600 -160.338 23.1011 135.713 23.1008 -44.4293 -111.881 135.712 -111.881 -64.69 GPRESSURE: 2787600 -105.567 110.853 79.1805 -88.4479 -19.2931 -27.9395 197.496 -122.166 -70.645 PRESSAVG: 2787600 6.02954 -60.5872 -12.8129 -60.5872 7.14065 65.1439 -12.8128 65.1439 11.3329 GPRESSAVG: 2787600 5.862 -62.2171 -11.8232 -60.4831 6.72041 65.784 -12.9927 64.4954 11.9162 TIMING: 2787600 CPU: 8803.65, 0.00312989/step Wall: 8803.65, 0.00312989/step, 1.92349 hours remaining, 234.988281 MB of memory in use. ENERGY: 2787600 4006.7979 20421.7810 14537.7586 237.9080 -203373.1690 2537.1649 0.0000 0.0000 52023.8418 -109607.9169 298.9817 -161631.7587 -109246.9353 299.0427 -89.8192 -65.1684 763144.6641 8.1677 8.1662 PRESSURE: 2787800 -128.998 -37.3125 -130.933 -37.3119 -87.9616 -152.745 -130.933 -152.743 540.727 GPRESSURE: 2787800 -160.827 -48.5222 -100.079 -59.9858 -1.60845 -88.0178 -110.195 -205.494 555.136 PRESSAVG: 2787800 -26.6073 -29.0935 11.4651 -29.0935 56.0338 22.9837 11.4651 22.9837 -15.5217 GPRESSAVG: 2787800 -26.5834 -28.5672 11.2403 -29.3796 55.867 24.5199 10.6865 21.0005 -15.9121 TIMING: 2787800 CPU: 8804.28, 0.00315307/step Wall: 8804.28, 0.00315307/step, 1.93756 hours remaining, 234.988281 MB of memory in use. ENERGY: 2787800 3998.3977 20405.7597 14496.9786 232.5087 -203459.2125 2824.1424 0.0000 0.0000 52095.3151 -109406.1102 299.3925 -161501.4253 -109042.8293 298.7848 107.9224 130.9003 761657.3351 4.6349 4.4572 PRESSURE: 2788000 152.062 93.0432 13.9017 93.0432 390.923 53.2211 13.9018 53.2209 154.84 GPRESSURE: 2788000 216.441 78.2672 2.98471 185.924 339.386 17.7212 2.24805 67.6579 216.026 PRESSAVG: 2788000 -36.2735 -65.0012 -13.0979 -65.0012 39.3701 97.9455 -13.0979 97.9456 9.66624 GPRESSAVG: 2788000 -36.3315 -64.4723 -12.9464 -64.9076 38.2445 98.0496 -12.8007 99.2339 10.5011 TIMING: 2788000 CPU: 8804.91, 0.00315572/step Wall: 8804.91, 0.00315572/step, 1.93901 hours remaining, 234.988281 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: 2788000 3981.0737 20344.5872 14432.3121 245.6788 -203281.8761 2633.9427 0.0000 0.0000 52176.4941 -109467.7876 299.8590 -161644.2817 -109121.6955 298.9887 232.6083 257.2845 761249.1604 4.2543 4.1380 PRESSURE: 2788200 109.683 74.6135 18.7347 74.6153 86.3334 -155.802 18.735 -155.803 -215.742 GPRESSURE: 2788200 67.5109 50.0999 -78.5794 135.204 131.602 -82.7107 36.8177 -81.9483 -165.696 PRESSAVG: 2788200 -68.9855 -38.2478 -67.3576 -38.2479 51.0833 42.4446 -67.3576 42.4447 -2.25005 GPRESSAVG: 2788200 -69.6036 -37.3937 -69.5887 -41.0984 51.7732 42.6714 -68.6031 44.9581 -2.40277 TIMING: 2788200 CPU: 8805.54, 0.00314687/step Wall: 8805.54, 0.00314687/step, 1.9334 hours remaining, 234.988281 MB of memory in use. ENERGY: 2788200 3951.7155 20617.5518 14546.1628 251.3722 -203254.4875 2527.2452 0.0000 0.0000 52053.8701 -109306.5698 299.1543 -161360.4399 -108946.1716 299.1384 -6.5755 11.1389 761225.7133 -6.7174 -6.7444 LDB: ============= START OF LOAD BALANCING ============== 8818.07 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8818.07 LDB: =============== DONE WITH MIGRATION ================ 8818.07 LDB: ============= START OF LOAD BALANCING ============== 8818.39 LDB: Largest compute 7065 load 0.031508 is 16.1% of average load 0.195622 LDB: Average compute 0.004365 is 2.2% of average load 0.195622 LDB: TIME 8818.39 LOAD: AVG 0.195622 MAX 0.213703 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.055 MB LDB: TIME 8818.39 LOAD: AVG 0.195622 MAX 0.213703 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: TIME 8818.39 LOAD: AVG 0.195622 MAX 0.213703 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: ============== END OF LOAD BALANCING =============== 8818.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8818.4 PRESSURE: 2788400 -243.428 -10.8269 156.322 -10.8262 -219.283 -284.31 156.323 -284.31 -8.52755 GPRESSURE: 2788400 -97.4489 -10.6187 229.722 43.0533 -245.453 -219.597 164.443 -301.965 -47.6615 PRESSAVG: 2788400 -32.8837 -57.083 -0.858318 -57.083 11.905 -27.7153 -0.858274 -27.7153 12.3536 GPRESSAVG: 2788400 -33.1758 -57.4981 0.605515 -54.8596 12.458 -28.6826 1.30523 -30.8844 12.3289 TIMING: 2788400 CPU: 8806.18, 0.00322728/step Wall: 8806.18, 0.00322728/step, 1.98262 hours remaining, 235.421875 MB of memory in use. ENERGY: 2788400 3962.4256 20590.3468 14496.1724 258.4505 -203161.1303 2401.1496 0.0000 0.0000 52002.0876 -109450.4979 298.8567 -161452.5854 -109093.2838 299.5043 -157.0796 -130.1879 761332.7381 -2.8750 -2.7963 PRESSURE: 2788600 -54.8642 62.7149 105.325 62.7163 100.409 150.435 105.326 150.435 -162.695 GPRESSURE: 2788600 -64.8103 63.4082 53.8494 51.6831 137.778 41.5112 136.849 159.62 -108.522 PRESSAVG: 2788600 -15.8978 -62.0123 16.822 -62.0123 -3.38003 -53.3417 16.8219 -53.3418 -1.14003 GPRESSAVG: 2788600 -15.4985 -64.3395 18.1569 -62.0805 -3.44931 -53.2187 14.2468 -51.9297 -1.74464 TIMING: 2788600 CPU: 8806.81, 0.00315189/step Wall: 8806.81, 0.00315189/step, 1.93614 hours remaining, 235.566406 MB of memory in use. ENERGY: 2788600 4004.5789 20597.0611 14488.8751 250.6494 -203335.6858 2736.1522 0.0000 0.0000 51923.1603 -109335.2088 298.4031 -161258.3690 -108983.7100 299.1936 -39.0501 -11.8517 763420.9893 -6.8059 -6.8975 PRESSURE: 2788800 -319.562 11.8622 114.629 11.8625 -375.282 -70.0128 114.628 -70.0139 -1.8569 GPRESSURE: 2788800 -321.52 50.3281 51.5494 -10.4334 -286.979 11.2942 82.9092 27.5135 3.84239 PRESSAVG: 2788800 -40.6859 -49.5711 6.99197 -49.5711 24.6058 9.85308 6.99193 9.85309 -8.38237 GPRESSAVG: 2788800 -42.1318 -48.4968 6.26279 -50.5901 24.8243 9.45666 7.22395 10.4781 -7.41415 TIMING: 2788800 CPU: 8807.44, 0.00315915/step Wall: 8807.44, 0.00315915/step, 1.94042 hours remaining, 235.769531 MB of memory in use. ENERGY: 2788800 3985.3346 20598.8697 14534.4567 252.8330 -203406.6238 2590.0271 0.0000 0.0000 52189.1198 -109255.9829 299.9316 -161445.1027 -108903.9253 299.4449 -232.2338 -201.5522 762451.9360 -8.1541 -8.2406 PRESSURE: 2789000 172.046 91.9342 -73.2075 91.9335 107.027 37.0406 -73.2069 37.0409 -28.3314 GPRESSURE: 2789000 94.0246 147.854 -139.891 8.29078 185.122 84.1418 -13.5166 144.189 57.3765 PRESSAVG: 2789000 5.14449 -43.5592 -3.49181 -43.5592 32.2145 -36.2068 -3.4918 -36.2068 3.71669 GPRESSAVG: 2789000 5.36496 -39.2939 -5.64964 -44.0004 31.547 -35.7724 -2.35295 -36.296 3.55076 TIMING: 2789000 CPU: 8808.07, 0.00314178/step Wall: 8808.07, 0.00314178/step, 1.92958 hours remaining, 235.769531 MB of memory in use. ENERGY: 2789000 4013.2198 20659.6056 14523.3808 262.7199 -203330.2162 2600.8898 0.0000 0.0000 51963.3781 -109307.0221 298.6342 -161270.4002 -108940.7751 299.8070 83.5805 112.1743 762250.7565 13.6919 13.4876 PRESSURE: 2789200 -149.182 102.172 71.0059 102.171 -236.033 197.767 71.0056 197.766 211.28 GPRESSURE: 2789200 -119.254 43.2322 104.044 62.2463 -221.368 302.35 163.546 115.854 272.399 PRESSAVG: 2789200 17.756 1.93604 -35.0516 1.93606 2.66417 4.72446 -35.0516 4.72439 3.69806 GPRESSAVG: 2789200 18.7076 -3.7084 -34.5023 2.50976 2.84039 5.16904 -31.9185 4.22075 2.536 TIMING: 2789200 CPU: 8808.7, 0.00316006/step Wall: 8808.7, 0.00316006/step, 1.94063 hours remaining, 235.800781 MB of memory in use. ENERGY: 2789200 4033.5015 20619.6664 14529.4074 246.3828 -202580.6698 2062.3642 0.0000 0.0000 51955.6612 -109133.6863 298.5899 -161089.3476 -108781.1296 300.0119 -57.9779 -22.7410 761076.5440 8.0394 8.0280 PRESSURE: 2789400 88.6998 -155.057 -165 -155.057 306.774 210.731 -165 210.73 -59.5702 GPRESSURE: 2789400 143.331 -123.472 -132.863 -61.867 229.352 202.189 -139.027 96.7643 42.0257 PRESSAVG: 2789400 6.32002 -38.559 16.3174 -38.5591 -4.60945 -13.0309 16.3174 -13.0309 6.02612 GPRESSAVG: 2789400 7.04171 -36.3682 16.9474 -37.1136 -5.55819 -14.2068 14.2357 -12.8561 6.50654 TIMING: 2789400 CPU: 8809.34, 0.0031578/step Wall: 8809.34, 0.0031578/step, 1.93907 hours remaining, 235.800781 MB of memory in use. ENERGY: 2789400 4044.2110 20814.6144 14472.1263 256.1521 -203675.7120 2796.0442 0.0000 0.0000 52274.1581 -109018.4058 300.4203 -161292.5639 -108653.6176 300.7880 111.9679 138.2363 760743.5109 2.5789 2.6634 PRESSURE: 2789600 59.3724 85.8595 25.5428 85.8595 -103.05 35.4685 25.5429 35.4682 -183.766 GPRESSURE: 2789600 68.7207 53.4844 6.89819 22.1058 -9.59392 2.64134 -12.7656 -9.81117 -203.692 PRESSAVG: 2789600 1.44123 -34.7842 28.2134 -34.7843 57.069 2.0243 28.2134 2.0242 19.8713 GPRESSAVG: 2789600 0.967675 -34.906 28.4236 -34.7509 58.4217 2.87529 28.3189 -1.72121 19.289 TIMING: 2789600 CPU: 8809.97, 0.00315827/step Wall: 8809.97, 0.00315827/step, 1.93918 hours remaining, 235.871094 MB of memory in use. ENERGY: 2789600 4039.6611 20643.3071 14494.7716 241.4404 -203714.1957 2888.6994 0.0000 0.0000 52346.9127 -109059.4033 300.8384 -161406.3160 -108698.7520 300.2177 -75.8142 -48.1884 761522.4220 26.1272 26.2261 PRESSURE: 2789800 -325.929 111.717 1.12228 111.717 -88.3663 -50.229 1.12296 -50.2294 113.434 GPRESSURE: 2789800 -316.459 61.5488 -6.25692 40.4878 3.31974 -70.0283 130.579 51.3849 92.019 PRESSAVG: 2789800 -27.947 -4.04477 13.8619 -4.04488 17.4908 -23.2035 13.862 -23.2036 18.7289 GPRESSAVG: 2789800 -27.3112 -5.31383 13.0935 -4.68427 15.5206 -23.5201 13.3033 -19.2322 20.1759 TIMING: 2789800 CPU: 8810.6, 0.00317721/step Wall: 8810.6, 0.00317721/step, 1.95063 hours remaining, 235.871094 MB of memory in use. ENERGY: 2789800 4013.1120 20675.1089 14412.1105 250.4598 -203373.2643 2776.1437 0.0000 0.0000 52189.2827 -109057.0468 299.9325 -161246.3295 -108685.7226 300.4651 -100.2869 -73.7069 761700.9701 2.7576 2.7951 PRESSURE: 2790000 142.086 -105.864 -86.9061 -105.864 -326.774 157.105 -86.9062 157.105 68.215 GPRESSURE: 2790000 100.323 0.875209 -62.6222 -102.112 -201.527 222.353 -180.264 66.6885 70.44 PRESSAVG: 2790000 -25.1114 -44.0405 0.148949 -44.0405 26.9389 3.46454 0.148936 3.46452 9.73152 GPRESSAVG: 2790000 -26.6504 -41.931 -1.63196 -43.7996 29.0757 5.89137 -0.220382 0.540529 9.14676 TIMING: 2790000 CPU: 8811.24, 0.00317047/step Wall: 8811.24, 0.00317047/step, 1.94632 hours remaining, 235.871094 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: 2790000 4011.2844 20643.5201 14475.2198 244.0142 -203725.3663 2886.5446 0.0000 0.0000 52410.0390 -109054.7443 301.2012 -161464.7832 -108688.2219 300.5808 -38.8246 -10.2544 760994.1388 3.8530 3.8574 PRESSURE: 2790200 -189.143 -192.303 68.5312 -192.302 304.566 -29.6323 68.532 -29.6319 219.058 GPRESSURE: 2790200 -172.41 -240.727 23.8448 -154.027 351.888 -13.0036 11.4659 -33.5253 236.239 PRESSAVG: 2790200 -56.0323 -49.9561 32.0338 -49.9561 43.9279 63.0015 32.0338 63.0015 -1.41973 GPRESSAVG: 2790200 -55.8805 -50.8977 34.3253 -48.9393 43.329 61.5683 30.4899 66.7389 -0.705819 TIMING: 2790200 CPU: 8811.87, 0.00316054/step Wall: 8811.87, 0.00316054/step, 1.94004 hours remaining, 235.871094 MB of memory in use. ENERGY: 2790200 3950.0030 20637.8986 14495.7037 252.6123 -203413.5574 2668.8582 0.0000 0.0000 52189.6716 -109218.8101 299.9348 -161408.4817 -108849.9713 299.9523 111.4938 138.5725 761173.4545 -4.5080 -4.4191 PRESSURE: 2790400 178.174 144.518 -45.9256 144.519 18.0148 185.686 -45.9247 185.686 -134.162 GPRESSURE: 2790400 244.249 50.4653 28.7192 80.1176 11.484 154.627 -132.971 202.973 -117.47 PRESSAVG: 2790400 -46.344 -81.7844 22.9964 -81.7844 44.5153 14.3343 22.9965 14.3342 8.04953 GPRESSAVG: 2790400 -45.9677 -80.5002 22.0057 -82.7377 43.5643 13.4658 23.8394 12.1454 8.57713 TIMING: 2790400 CPU: 8812.5, 0.0031576/step Wall: 8812.5, 0.0031576/step, 1.93806 hours remaining, 235.871094 MB of memory in use. ENERGY: 2790400 4045.4711 20565.6716 14467.1634 242.9779 -203047.5146 2639.3700 0.0000 0.0000 51957.1846 -109129.6760 298.5987 -161086.8606 -108756.6595 299.8092 20.6756 46.0878 762791.4879 2.0736 2.0579 PRESSURE: 2790600 165.516 125.212 -21.673 125.211 -65.5582 111.927 -21.673 111.927 188.023 GPRESSURE: 2790600 182.716 26.7973 -120.451 95.9964 56.9487 212.399 -3.39235 77.2235 143.875 PRESSAVG: 2790600 -15.9191 -18.9227 21.0531 -18.9226 9.30742 36.1069 21.0532 36.1068 -0.229105 GPRESSAVG: 2790600 -16.5973 -20.5335 21.2402 -17.4907 10.8046 36.3023 21.9492 37.6328 -1.15194 TIMING: 2790600 CPU: 8813.13, 0.00316722/step Wall: 8813.13, 0.00316722/step, 1.94379 hours remaining, 235.871094 MB of memory in use. ENERGY: 2790600 3980.2729 20554.2484 14456.2815 271.2511 -203549.7357 2859.0868 0.0000 0.0000 52222.3342 -109206.2607 300.1225 -161428.5949 -108847.4657 299.8130 95.9935 127.8467 761810.2916 -2.2802 -2.3149 PRESSURE: 2790800 95.5241 25.6293 -133.468 25.6293 -8.48941 116.709 -133.468 116.708 83.9432 GPRESSURE: 2790800 127.047 -39.5128 -125.972 -16.4523 -2.54229 100.028 -26.1532 86.3505 131.028 PRESSAVG: 2790800 -0.412245 -26.9526 50.8258 -26.9527 2.83653 -13.6974 50.8258 -13.6974 -2.00178 GPRESSAVG: 2790800 -0.0945896 -28.1461 53.0099 -27.5244 1.54181 -15.2488 49.827 -15.144 -1.04968 TIMING: 2790800 CPU: 8813.77, 0.00317048/step Wall: 8813.77, 0.00317048/step, 1.94562 hours remaining, 235.871094 MB of memory in use. ENERGY: 2790800 3979.7865 20576.8723 14496.9184 241.2462 -202980.5467 2501.6609 0.0000 0.0000 52022.3442 -109161.7182 298.9731 -161184.0624 -108808.3744 299.7874 56.9926 85.1778 764150.7332 0.1408 0.1325 PRESSURE: 2791000 -142.912 141.196 -202.898 141.196 -58.7522 77.21 -202.898 77.2109 432.292 GPRESSURE: 2791000 -2.85382 292.839 -168.501 85.1017 -68.9616 62.4037 -226.901 98.9109 398.431 PRESSAVG: 2791000 17.0237 45.6357 21.6175 45.6356 -3.24673 -72.0908 21.6175 -72.0909 1.77404 GPRESSAVG: 2791000 18.8075 47.7492 19.5423 43.2622 -3.42698 -71.2428 22.3046 -70.2327 0.206623 TIMING: 2791000 CPU: 8814.4, 0.00317314/step Wall: 8814.4, 0.00317314/step, 1.94707 hours remaining, 235.871094 MB of memory in use. ENERGY: 2791000 4076.9196 20541.4818 14478.9382 259.1336 -203258.8778 2672.4338 0.0000 0.0000 52320.2216 -108909.7492 300.6850 -161229.9708 -108542.3423 300.1100 76.8760 108.8720 762187.5495 5.1837 5.1957 PRESSURE: 2791200 242.872 -155.273 82.5027 -155.274 -226.644 54.7808 82.502 54.7815 -190.498 GPRESSURE: 2791200 228.3 -184.108 -65.4576 -49.2851 -147.13 23.8521 122.117 -69.6016 -180.419 PRESSAVG: 2791200 -50.7277 9.62804 2.75548 9.62799 18.051 -35.5355 2.75547 -35.5355 26.7413 GPRESSAVG: 2791200 -51.8277 8.93842 1.98379 10.9233 18.3256 -34.7206 0.545701 -37.581 27.2189 TIMING: 2791200 CPU: 8815.04, 0.00316977/step Wall: 8815.04, 0.00316977/step, 1.94483 hours remaining, 235.871094 MB of memory in use. ENERGY: 2791200 3948.6063 20485.5014 14521.7188 247.6188 -202799.7137 2369.6466 0.0000 0.0000 52350.5235 -108876.0984 300.8592 -161226.6219 -108523.9395 300.0740 -58.0897 -33.0830 761477.6962 -1.9785 -2.0944 PRESSURE: 2791400 88.5764 -42.1579 -81.8528 -42.1574 255.437 -124.674 -81.8529 -124.674 498.484 GPRESSURE: 2791400 138.948 8.67039 -184.949 -83.0491 266.066 -86.8439 75.4182 -63.7135 485.973 PRESSAVG: 2791400 -80.5933 -10.568 2.96887 -10.5679 53.3877 3.80742 2.96886 3.80742 -26.7838 GPRESSAVG: 2791400 -81.0948 -9.31572 5.26823 -10.1002 53.1963 3.35256 3.58018 3.7343 -26.1262 TIMING: 2791400 CPU: 8815.67, 0.00315418/step Wall: 8815.67, 0.00315418/step, 1.93509 hours remaining, 235.871094 MB of memory in use. ENERGY: 2791400 3979.4253 20536.1371 14474.6715 237.0111 -203147.3962 2783.1387 0.0000 0.0000 52366.9969 -108770.0157 300.9539 -161137.0126 -108411.5882 300.6153 280.8325 296.9956 762442.0253 -17.9965 -18.0083 PRESSURE: 2791600 -216.941 -256.927 -40.1683 -256.928 -201.764 201.291 -40.1685 201.293 -245.866 GPRESSURE: 2791600 -232.958 -239.866 1.09531 -241.762 -68.4577 29.7658 -32.0248 222.516 -277.572 PRESSAVG: 2791600 -33.3145 24.6982 59.0628 24.6982 58.8408 -27.3711 59.0628 -27.3711 16.701 GPRESSAVG: 2791600 -32.5547 22.0373 57.8263 25.6135 58.8403 -28.5502 60.0309 -26.8404 16.0109 TIMING: 2791600 CPU: 8816.3, 0.00314832/step Wall: 8816.3, 0.00314832/step, 1.93132 hours remaining, 235.871094 MB of memory in use. ENERGY: 2791600 3978.4760 20453.9497 14504.3398 255.1705 -202520.1701 2499.8649 0.0000 0.0000 52182.0361 -108646.3332 299.8909 -160828.3693 -108280.8956 300.4115 -221.5239 -192.9959 763332.0749 14.0758 14.0988 PRESSURE: 2791800 -252.18 -150.35 65.0614 -150.35 -341.181 82.6775 65.0608 82.6771 -558.837 GPRESSURE: 2791800 -194.3 -93.6627 -14.2339 -181.434 -335.228 99.8466 210.605 95.6657 -531.866 PRESSAVG: 2791800 11.6697 -53.3991 72.0909 -53.3991 -28.3167 5.5656 72.0909 5.56556 -30.6658 GPRESSAVG: 2791800 10.0728 -51.2289 70.4328 -55.5961 -27.0747 7.98049 72.8805 4.77593 -29.8736 TIMING: 2791800 CPU: 8816.93, 0.00317558/step Wall: 8816.93, 0.00317558/step, 1.94786 hours remaining, 235.871094 MB of memory in use. ENERGY: 2791800 4009.6034 20490.2658 14466.1862 225.4406 -202541.1101 2453.5932 0.0000 0.0000 52184.8468 -108711.1740 299.9070 -160896.0208 -108343.5083 300.6247 -384.0660 -353.7979 764396.1450 -15.7709 -15.6252 PRESSURE: 2792000 -121.189 -115.473 57.859 -115.473 473.97 220.499 57.86 220.498 -106.196 GPRESSURE: 2792000 -3.91372 -43.152 73.6146 -194.837 466.79 222.299 79.9028 167.829 -148.03 PRESSAVG: 2792000 -55.365 -31.7884 6.01444 -31.7884 36.2438 -20.7839 6.01443 -20.7838 9.65135 GPRESSAVG: 2792000 -54.2728 -30.5212 8.32695 -32.7367 35.4137 -23.776 4.98672 -19.3894 9.6529 TIMING: 2792000 CPU: 8817.56, 0.00315376/step Wall: 8817.56, 0.00315376/step, 1.93431 hours remaining, 235.871094 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: 2792000 3915.1460 20596.5001 14485.6667 239.3680 -203198.1413 2691.7444 0.0000 0.0000 52489.7898 -108779.9263 301.6595 -161269.7161 -108412.4524 300.4068 82.1953 104.9486 762461.8395 -3.1566 -3.0687 PRESSURE: 2792200 -10.8228 -12.633 164.661 -12.6327 -14.6924 -36.9679 164.661 -36.968 284.486 GPRESSURE: 2792200 0.74694 -57.7791 96.7645 31.3169 -1.68375 -53.4104 179.144 -39.7719 328.578 PRESSAVG: 2792200 -23.1381 -32.4335 25.217 -32.4336 18.272 34.3982 25.217 34.3982 5.51774 GPRESSAVG: 2792200 -22.0676 -35.6404 25.0828 -29.78 18.4597 36.1866 24.2444 36.4725 5.19091 TIMING: 2792200 CPU: 8818.19, 0.00313278/step Wall: 8818.19, 0.00313278/step, 1.92126 hours remaining, 235.871094 MB of memory in use. ENERGY: 2792200 3977.7068 20533.9930 14466.8004 257.6045 -202616.0284 2283.7021 0.0000 0.0000 52345.2521 -108750.9695 300.8289 -161096.2216 -108372.4446 300.4338 86.3235 109.2138 762436.4487 0.2172 0.5277 LDB: ============= START OF LOAD BALANCING ============== 8830.72 LDB: ============== END OF LOAD BALANCING =============== 8830.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8830.72 LDB: ============= START OF LOAD BALANCING ============== 8831.03 LDB: Largest compute 7031 load 0.030857 is 15.8% of average load 0.195559 LDB: Average compute 0.004378 is 2.2% of average load 0.195559 LDB: TIME 8831.04 LOAD: AVG 0.195559 MAX 0.21322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 8831.04 LOAD: AVG 0.195559 MAX 0.21322 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 8831.04 LOAD: AVG 0.195559 MAX 0.21322 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 8831.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8831.05 PRESSURE: 2792400 110.595 -58.62 -23.7887 -58.6191 151.476 104.936 -23.7892 104.935 -575.841 GPRESSURE: 2792400 165.674 -20.2507 -3.29763 -173.158 83.5271 80.7433 59.0332 -3.78769 -471.365 PRESSAVG: 2792400 66.6617 18.7483 -16.866 18.7483 -48.9714 28.4585 -16.8661 28.4585 7.12481 GPRESSAVG: 2792400 66.7634 19.5364 -19.7329 16.1101 -49.2908 27.6716 -14.3237 24.9667 7.03756 TIMING: 2792400 CPU: 8818.83, 0.00319437/step Wall: 8818.83, 0.00319437/step, 1.95886 hours remaining, 235.652344 MB of memory in use. ENERGY: 2792400 3994.1299 20517.2036 14484.6510 268.9471 -203181.9103 2680.1257 0.0000 0.0000 52509.7017 -108727.1513 301.7740 -161236.8530 -108357.1310 300.6751 -104.5902 -74.0548 763197.3692 8.2717 8.1701 PRESSURE: 2792600 140.762 -241.827 146.226 -241.827 138.238 158.005 146.226 158.005 47.6185 GPRESSURE: 2792600 142.158 -297.439 125.972 -148.535 171.005 102.51 213.84 225.359 79.0246 PRESSAVG: 2792600 23.6703 -62.8839 26.7972 -62.8839 10.7656 5.0683 26.7972 5.06826 5.11772 GPRESSAVG: 2792600 23.2246 -62.9028 28.806 -62.1187 11.8311 3.95607 25.4253 6.72335 4.59737 TIMING: 2792600 CPU: 8819.46, 0.00314536/step Wall: 8819.46, 0.00314536/step, 1.92863 hours remaining, 235.722656 MB of memory in use. ENERGY: 2792600 3992.1537 20598.8970 14530.5197 243.8651 -203151.8080 2648.2490 0.0000 0.0000 52168.0432 -108970.0803 299.8105 -161138.1235 -108610.0994 300.5233 108.8728 130.7294 761049.1536 13.1846 13.2177 PRESSURE: 2792800 -18.0492 17.6439 145.421 17.6436 67.7028 -111.114 145.42 -111.113 -324.647 GPRESSURE: 2792800 27.6749 -6.45758 217.355 28.4586 101.193 -91.7593 139.582 -45.8905 -321.674 PRESSAVG: 2792800 15.2611 -0.143561 0.135878 -0.143602 25.2841 32.1359 0.135864 32.1359 8.58813 GPRESSAVG: 2792800 15.1929 1.1174 0.614483 -0.372969 25.3446 33.5666 0.973151 31.6246 8.77917 TIMING: 2792800 CPU: 8820.09, 0.0031348/step Wall: 8820.09, 0.0031348/step, 1.92198 hours remaining, 235.925781 MB of memory in use. ENERGY: 2792800 4015.6063 20437.4279 14457.8228 248.1398 -203033.8739 2601.7561 0.0000 0.0000 52198.1937 -109074.9273 299.9837 -161273.1210 -108711.4575 299.9517 -91.6645 -64.2689 762424.1355 16.3778 16.4389 PRESSURE: 2793000 -41.1274 106.697 -93.7428 106.698 -164.142 -24.1983 -93.7425 -24.1982 -659.208 GPRESSURE: 2793000 -53.5107 58.5324 -40.9771 84.1977 -95.9594 -47.2604 -106.26 108.534 -608.739 PRESSAVG: 2793000 16.5525 -38.1188 -6.43133 -38.1188 -13.5236 -2.43171 -6.43132 -2.43173 9.20975 GPRESSAVG: 2793000 16.9202 -38.5679 -6.19416 -38.2813 -13.7562 -3.11805 -7.06754 -1.40838 9.78361 TIMING: 2793000 CPU: 8820.72, 0.00315273/step Wall: 8820.72, 0.00315273/step, 1.9328 hours remaining, 235.925781 MB of memory in use. ENERGY: 2793000 4033.3684 20430.9779 14411.0596 252.2784 -203133.6965 2564.9859 0.0000 0.0000 52314.2533 -109126.7730 300.6507 -161441.0263 -108762.9435 300.1957 -288.1591 -252.7365 764171.5592 4.0796 4.3159 PRESSURE: 2793200 219.152 32.6621 -121.932 32.6633 237.316 98.1989 -121.933 98.1993 249.133 GPRESSURE: 2793200 244.127 -30.945 -179.296 33.7872 281.492 163.65 -3.67729 192.411 252 PRESSAVG: 2793200 83.2305 -2.31347 66.6439 -2.31343 -53.3457 55.8817 66.6439 55.8816 34.5536 GPRESSAVG: 2793200 82.6154 -3.63331 65.0956 -1.6565 -52.7924 56.8151 66.4456 54.5703 34.9912 TIMING: 2793200 CPU: 8821.34, 0.0031361/step Wall: 8821.34, 0.0031361/step, 1.92243 hours remaining, 236.117188 MB of memory in use. ENERGY: 2793200 3949.5718 20562.8428 14448.9077 250.2232 -203931.5670 2960.0364 0.0000 0.0000 52178.1014 -109581.8837 299.8683 -161759.9851 -109226.8592 299.6382 235.2002 259.2063 760119.5527 21.4795 21.6047 PRESSURE: 2793400 -68.2788 -137.718 107.322 -137.718 -25.547 113.974 107.323 113.974 660.987 GPRESSURE: 2793400 -3.62707 -93.7816 158.127 -162.978 -27.3271 145.076 -18.9087 87.6669 680.82 PRESSAVG: 2793400 38.4168 -71.3224 23.036 -71.3224 -13.2725 65.093 23.036 65.0929 -15.981 GPRESSAVG: 2793400 38.5931 -70.9114 24.4408 -71.2317 -13.4899 66.1388 22.8602 63.2858 -15.6837 TIMING: 2793400 CPU: 8821.97, 0.00314544/step Wall: 8821.97, 0.00314544/step, 1.92798 hours remaining, 236.128906 MB of memory in use. ENERGY: 2793400 3951.8415 20576.3125 14373.6598 256.6735 -203785.4030 3033.5703 0.0000 0.0000 52037.7286 -109555.6169 299.0615 -161593.3455 -109194.6420 299.4415 189.0537 216.6218 761415.8214 3.0545 3.1399 PRESSURE: 2793600 164.755 0.952131 -155.407 0.951855 -110.019 8.63887 -155.406 8.63738 -145.127 GPRESSURE: 2793600 117.65 3.74595 -155.261 45.8485 -20.9819 -1.00649 -145.77 63.1924 -112.075 PRESSAVG: 2793600 35.6104 -73.35 78.4527 -73.35 -0.746656 50.6355 78.4527 50.6355 33.0988 GPRESSAVG: 2793600 37.2594 -73.2002 79.1612 -73.1521 -1.52497 49.9623 78.3125 51.2856 32.6841 TIMING: 2793600 CPU: 8822.6, 0.00314218/step Wall: 8822.6, 0.00314218/step, 1.9258 hours remaining, 236.128906 MB of memory in use. ENERGY: 2793600 3992.9052 20466.6578 14379.1922 259.5332 -203286.5617 2512.4879 0.0000 0.0000 52161.8746 -109513.9109 299.7750 -161675.7855 -109156.5739 299.0702 -30.1304 -5.1357 762233.8324 22.6542 22.8062 PRESSURE: 2793800 43.6514 -40.5257 5.49348 -40.5256 -28.6137 135.308 5.49316 135.309 -191.134 GPRESSURE: 2793800 146.519 -139.38 13.7448 -80.2574 -51.6349 152.847 16.1121 156.564 -204.115 PRESSAVG: 2793800 23.6419 -47.9888 41.5837 -47.9888 -49.9267 67.6614 41.5836 67.6613 -1.20508 GPRESSAVG: 2793800 24.2026 -47.216 41.6079 -49.4071 -50.5403 67.0725 40.3192 65.4546 -1.31249 TIMING: 2793800 CPU: 8823.23, 0.00313697/step Wall: 8823.23, 0.00313697/step, 1.92244 hours remaining, 236.128906 MB of memory in use. ENERGY: 2793800 4018.1442 20466.7903 14380.3692 219.8201 -203432.9949 2637.8711 0.0000 0.0000 52144.1110 -109565.8889 299.6729 -161709.9998 -109201.3944 298.9221 -58.6988 -36.4100 760926.8982 -9.1633 -9.2167 PRESSURE: 2794000 -370.725 -62.6501 -15.6493 -62.6496 -164.1 25.5633 -15.6489 25.564 -133.717 GPRESSURE: 2794000 -330.542 -68.7909 -6.60218 -147.803 -74.1845 106.253 59.0828 2.99675 -186.897 PRESSAVG: 2794000 21.9134 -23.7068 -5.5217 -23.7068 19.6024 23.9165 -5.52174 23.9165 18.9346 GPRESSAVG: 2794000 19.7417 -24.6162 -7.00565 -22.2475 22.23 24.6352 -4.80029 25.5242 18.9374 TIMING: 2794000 CPU: 8823.86, 0.00314374/step Wall: 8823.86, 0.00314374/step, 1.92642 hours remaining, 236.128906 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: 2794000 4002.4426 20408.6448 14445.0822 248.3635 -203305.3103 2762.4643 0.0000 0.0000 51794.4271 -109643.8859 297.6633 -161438.3130 -109277.8898 298.5830 -222.8475 -197.2079 763804.6598 20.1501 20.3030 PRESSURE: 2794200 -235.855 43.3496 -159.047 43.3499 120.44 -0.736182 -159.046 -0.735432 35.5703 GPRESSURE: 2794200 -275.054 183.586 -54.5369 15.0282 204.727 -229.412 -83.709 142.278 67.5436 PRESSAVG: 2794200 35.4165 15.2931 62.3193 15.2931 -20.9016 -13.6999 62.3193 -13.6999 -3.59314 GPRESSAVG: 2794200 35.9457 15.8357 60.3957 13.784 -21.5335 -13.9036 64.5476 -11.9392 -3.24526 TIMING: 2794200 CPU: 8824.49, 0.00314611/step Wall: 8824.49, 0.0031461/step, 1.92769 hours remaining, 236.128906 MB of memory in use. ENERGY: 2794200 3919.3720 20474.5202 14413.5484 261.7796 -203205.3044 2652.5692 0.0000 0.0000 51991.6923 -109491.8227 298.7970 -161483.5150 -109131.0591 298.6463 -26.6149 -0.9278 764324.4777 3.6406 3.7223 PRESSURE: 2794400 -459.911 -391.717 86.6385 -391.717 178.729 -117.406 86.6373 -117.407 325.062 GPRESSURE: 2794400 -388.593 -325.468 88.8975 -256.787 254.611 -97.9653 -11.8197 2.97868 262.481 PRESSAVG: 2794400 -74.6301 -19.972 41.8208 -19.9721 97.1707 13.5889 41.8209 13.5889 18.4438 GPRESSAVG: 2794400 -73.6139 -18.8995 45.087 -19.0922 97.3092 13.1234 39.8016 13.1646 17.5057 TIMING: 2794400 CPU: 8825.11, 0.00314338/step Wall: 8825.11, 0.00314338/step, 1.92584 hours remaining, 236.128906 MB of memory in use. ENERGY: 2794400 3949.9812 20545.3082 14435.1379 249.3926 -203447.3923 2769.0484 0.0000 0.0000 52060.7738 -109437.7501 299.1940 -161498.5240 -109078.0087 298.5969 14.6267 42.8330 762544.5337 13.6615 13.7337 PRESSURE: 2794600 -180.915 -16.6093 13.3083 -16.6093 61.8809 -157.655 13.3088 -157.655 -291.666 GPRESSURE: 2794600 -160.229 72.0226 -3.01815 -55.0277 64.0526 -221.147 -35.9664 -163.455 -227.496 PRESSAVG: 2794600 -36.186 -30.6835 -19.5081 -30.6835 14.6365 57.8098 -19.5082 57.8098 -20.7278 GPRESSAVG: 2794600 -35.9606 -30.0798 -22.5574 -30.2466 13.2084 57.963 -19.7287 58.1121 -19.6508 TIMING: 2794600 CPU: 8825.75, 0.00315711/step Wall: 8825.75, 0.00315711/step, 1.93408 hours remaining, 236.128906 MB of memory in use. ENERGY: 2794600 3958.9929 20535.6970 14406.9636 258.7961 -202841.7877 2307.8670 0.0000 0.0000 52132.2577 -109241.2133 299.6048 -161373.4710 -108876.6982 298.8391 -136.8999 -107.8908 764551.7796 -14.0924 -14.1343 PRESSURE: 2794800 -112.683 197.781 -14.5588 197.781 168.012 3.91283 -14.5602 3.91251 106.914 GPRESSURE: 2794800 -19.1782 -32.6796 14.7389 99.4535 141.492 -65.836 150.284 -1.89146 111.618 PRESSAVG: 2794800 -26.1165 -5.69228 -29.6166 -5.69232 -23.8307 71.1569 -29.6166 71.157 -6.26941 GPRESSAVG: 2794800 -26.0881 -5.48732 -27.0132 -7.65665 -23.8623 70.4921 -27.3688 72.0299 -6.46384 TIMING: 2794800 CPU: 8826.38, 0.00316123/step Wall: 8826.38, 0.00316123/step, 1.93643 hours remaining, 236.128906 MB of memory in use. ENERGY: 2794800 4073.2552 20583.7574 14445.7390 271.1256 -203847.6975 2971.1638 0.0000 0.0000 52340.0731 -109162.5834 300.7991 -161502.6565 -108811.4474 299.1968 54.0807 77.9773 762020.0334 -18.7389 -18.8047 PRESSURE: 2795000 -84.816 20.0263 81.6424 20.0262 -134.255 354.838 81.6418 354.838 -31.9843 GPRESSURE: 2795000 -65.2544 -177.178 -51.8136 5.18819 -65.1043 315.308 171.858 359.079 -62.3959 PRESSAVG: 2795000 6.30856 -0.180601 -11.291 -0.180635 16.204 33.5836 -11.2911 33.5836 17.437 GPRESSAVG: 2795000 5.81833 -2.82622 -13.3988 1.9037 16.3716 35.2653 -11.2085 30.9787 17.0344 TIMING: 2795000 CPU: 8827.01, 0.00314847/step Wall: 8827.01, 0.00314847/step, 1.92844 hours remaining, 236.128906 MB of memory in use. ENERGY: 2795000 4073.4210 20441.9780 14489.8154 245.8597 -202961.6902 2454.4283 0.0000 0.0000 51871.0711 -109385.1167 298.1038 -161256.1877 -109027.0559 299.2149 -83.6849 -64.2515 764901.3508 13.3165 13.0748 PRESSURE: 2795200 158.538 105.227 -195.637 105.227 -31.6096 148.165 -195.636 148.165 184.505 GPRESSURE: 2795200 33.8282 67.9747 -201.544 86.6316 78.7071 244.318 -109.267 157.578 262.844 PRESSAVG: 2795200 -24.5342 -2.90318 16.4055 -2.9032 12.4688 70.1989 16.4055 70.1989 -7.05194 GPRESSAVG: 2795200 -25.9574 -3.16185 17.0807 -2.93574 13.1614 70.0664 15.4042 71.2638 -6.14716 TIMING: 2795200 CPU: 8827.64, 0.00315218/step Wall: 8827.64, 0.00315218/step, 1.93053 hours remaining, 236.128906 MB of memory in use. ENERGY: 2795200 3955.7170 20540.4835 14486.0357 246.6852 -203313.4724 2529.8153 0.0000 0.0000 52146.5334 -109408.2024 299.6868 -161554.7358 -109039.7769 299.1938 103.8111 125.1265 762962.7532 -6.3724 -6.3144 PRESSURE: 2795400 -138.067 107.495 -67.6568 107.494 -130.094 -61.0258 -67.6572 -61.0256 -164.538 GPRESSURE: 2795400 -137.234 72.1949 -99.7817 186.554 -155.861 -62.775 -109.103 -123.738 -65.6326 PRESSAVG: 2795400 -55.3669 -5.43163 -16.1824 -5.43166 59.8756 63.5954 -16.1824 63.5954 6.22146 GPRESSAVG: 2795400 -54.1434 -4.9842 -16.3285 -4.88891 59.332 63.444 -17.8419 62.7123 5.56638 TIMING: 2795400 CPU: 8828.26, 0.00313166/step Wall: 8828.26, 0.00313166/step, 1.91779 hours remaining, 236.128906 MB of memory in use. ENERGY: 2795400 3947.3773 20706.6311 14433.0305 261.7293 -203279.7870 2667.7397 0.0000 0.0000 51657.2426 -109606.0366 296.8749 -161263.2792 -109250.6443 298.8238 -144.2329 -119.5759 763332.7374 3.5767 3.5850 PRESSURE: 2795600 -191.684 42.4079 -109.485 42.4075 198.388 -59.3081 -109.486 -59.3078 489.695 GPRESSURE: 2795600 -131.998 -10.9011 -81.1981 46.3407 242.064 23.5499 -95.6742 -115.597 479.245 PRESSAVG: 2795600 -23.9634 -19.0784 9.5768 -19.0784 45.3221 48.6375 9.57677 48.6375 8.46103 GPRESSAVG: 2795600 -25.164 -19.4839 10.3736 -18.5118 46.6607 49.5667 11.5217 48.1495 8.30218 TIMING: 2795600 CPU: 8828.89, 0.00313592/step Wall: 8828.89, 0.00313592/step, 1.92023 hours remaining, 236.128906 MB of memory in use. ENERGY: 2795600 3985.8206 20629.1560 14432.3790 248.9111 -203534.3889 2900.5473 0.0000 0.0000 51648.2621 -109689.3128 296.8233 -161337.5749 -109336.0993 298.8272 165.4665 196.4368 763045.4899 9.9399 9.9330 PRESSURE: 2795800 116.808 46.9213 -335.71 46.9218 -57.0561 -151.192 -335.71 -151.191 -332.213 GPRESSURE: 2795800 43.9398 -15.6513 -374.644 128.195 66.1017 -205.748 -294.418 -130.834 -287.405 PRESSAVG: 2795800 16.3648 -23.0668 17.5168 -23.0668 41.3818 2.11955 17.5169 2.11957 -30.1911 GPRESSAVG: 2795800 17.4612 -22.6699 16.4079 -25.3097 40.583 0.534802 17.7865 2.86386 -29.805 TIMING: 2795800 CPU: 8829.52, 0.00313862/step Wall: 8829.52, 0.00313862/step, 1.92171 hours remaining, 236.117188 MB of memory in use. ENERGY: 2795800 3995.8748 20392.4489 14303.0802 263.4195 -203157.3116 2595.4485 0.0000 0.0000 52022.5819 -109584.4578 298.9745 -161607.0397 -109219.3220 299.1510 -90.8203 -59.1213 761576.2197 9.1851 9.4131 PRESSURE: 2796000 -91.7832 -51.3817 23.657 -51.382 -253.852 90.0015 23.6569 90 -155.242 GPRESSURE: 2796000 -84.6997 16.5262 -15.8084 -17.9288 -243.276 57.7219 77.1923 83.5232 -116.437 PRESSAVG: 2796000 -25.2468 -34.7004 11.3567 -34.7005 11.9092 43.0601 11.3566 43.0601 -9.21142 GPRESSAVG: 2796000 -24.8299 -32.8124 11.185 -33.8401 10.283 44.0746 11.2013 44.2066 -8.18989 TIMING: 2796000 CPU: 8830.15, 0.00314239/step Wall: 8830.15, 0.00314239/step, 1.92384 hours remaining, 236.128906 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: 2796000 3990.8515 20555.4984 14451.4296 245.9988 -203429.4047 2563.4572 0.0000 0.0000 52025.2643 -109596.9049 298.9899 -161622.1691 -109234.8494 298.9522 -166.9590 -148.1375 762363.7231 -7.5163 -7.5789 PRESSURE: 2796200 -4.28162 -30.9454 116.97 -30.9461 92.0445 248.464 116.97 248.464 301.02 GPRESSURE: 2796200 110.964 -138.879 66.883 43.5483 94.1453 278.593 218.941 229.1 249.521 PRESSAVG: 2796200 -9.68093 -17.7552 44.9459 -17.7553 12.6629 48.3327 44.9459 48.3327 5.85316 GPRESSAVG: 2796200 -10.6504 -19.4631 46.3218 -15.2175 14.4957 48.2523 43.7689 46.9547 4.81425 TIMING: 2796200 CPU: 8830.78, 0.00315319/step Wall: 8830.78, 0.00315319/step, 1.93028 hours remaining, 236.128906 MB of memory in use. ENERGY: 2796200 3920.0444 20546.9963 14510.9119 256.1377 -203330.8088 2704.7449 0.0000 0.0000 52027.1293 -109364.8441 299.0006 -161391.9734 -108999.9556 299.0303 129.5942 151.5435 762197.3219 2.9450 2.8865 LDB: ============= START OF LOAD BALANCING ============== 8843.31 LDB: ============== END OF LOAD BALANCING =============== 8843.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8843.31 LDB: ============= START OF LOAD BALANCING ============== 8843.63 LDB: Largest compute 7031 load 0.030705 is 15.7% of average load 0.195547 LDB: Average compute 0.004376 is 2.2% of average load 0.195547 LDB: TIME 8843.63 LOAD: AVG 0.195547 MAX 0.2144 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.941 MB LDB: TIME 8843.63 LOAD: AVG 0.195547 MAX 0.2144 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: TIME 8843.63 LOAD: AVG 0.195547 MAX 0.2144 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.945 MB LDB: ============== END OF LOAD BALANCING =============== 8843.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8843.64 PRESSURE: 2796400 38.0397 -158.878 -39.9782 -158.878 120.279 35.2035 -39.9784 35.2035 540.329 GPRESSURE: 2796400 142.526 -62.0439 -41.4779 -25.5118 117.116 3.54478 -121.519 199.026 514.834 PRESSAVG: 2796400 -25.2667 -23.5624 41.6378 -23.5623 32.8657 45.0718 41.6378 45.0717 9.93229 GPRESSAVG: 2796400 -25.1591 -23.6705 40.619 -24.2641 31.9317 44.0262 41.9535 47.7677 10.4361 TIMING: 2796400 CPU: 8831.42, 0.00321705/step Wall: 8831.42, 0.00321705/step, 1.96919 hours remaining, 235.640625 MB of memory in use. ENERGY: 2796400 4007.1151 20576.8254 14462.8532 260.5511 -203100.9741 2571.0767 0.0000 0.0000 51834.6820 -109387.8707 297.8946 -161222.5527 -109041.5672 299.0244 232.8826 258.1587 760814.2119 5.8438 5.7362 PRESSURE: 2796600 -466.959 -40.7695 -40.7463 -40.769 -71.1843 -30.0972 -40.7464 -30.0968 -473.535 GPRESSURE: 2796600 -451.695 47.9372 -41.0448 -64.6116 -27.4018 -78.3996 12.3813 -110.083 -450.294 PRESSAVG: 2796600 -20.3413 -14.223 30.4187 -14.223 39.1192 25.9907 30.4187 25.9908 -4.39639 GPRESSAVG: 2796600 -20.5628 -12.7392 29.7974 -14.3191 39.1582 27.956 32.1966 22.444 -3.86736 TIMING: 2796600 CPU: 8832.05, 0.00313809/step Wall: 8832.05, 0.00313809/step, 1.92068 hours remaining, 235.707031 MB of memory in use. ENERGY: 2796600 4018.0949 20429.3063 14413.0795 242.6271 -203433.2689 2685.9467 0.0000 0.0000 52182.1201 -109462.0944 299.8914 -161644.2145 -109091.2139 299.2090 -337.2258 -309.7969 762325.8043 4.7938 4.9093 PRESSURE: 2796800 155.362 -17.1 96.4082 -17.1004 -184.67 122.122 96.4078 122.123 -252.096 GPRESSURE: 2796800 205.122 -120.63 32.8801 4.33986 -158.331 115.954 -106.343 97.9218 -239.9 PRESSAVG: 2796800 -28.6006 24.2692 20.977 24.2693 23.2598 34.954 20.9769 34.9541 6.96231 GPRESSAVG: 2796800 -28.0279 23.1842 21.8411 23.4517 23.532 33.9899 20.0577 37.6926 6.64128 TIMING: 2796800 CPU: 8832.68, 0.00315361/step Wall: 8832.68, 0.00315361/step, 1.93001 hours remaining, 235.707031 MB of memory in use. ENERGY: 2796800 4071.4094 20655.2440 14440.0410 255.2982 -203356.1646 2552.1342 0.0000 0.0000 52057.6836 -109324.3542 299.1762 -161382.0379 -108970.5063 298.9688 -93.8016 -64.3695 762520.2588 0.5405 0.7151 PRESSURE: 2797000 -64.5312 188.313 -45.1666 188.313 -210.807 -83.2282 -45.1661 -83.2279 -104.785 GPRESSURE: 2797000 -79.4146 302.414 20.4598 158.603 -135.744 -96.1945 25.0388 -101.078 -90.8533 PRESSAVG: 2797000 -1.07722 -18.3794 35.9649 -18.3795 13.5677 9.51795 35.9649 9.51796 23.432 GPRESSAVG: 2797000 -2.20822 -18.3565 35.0754 -18.9655 15.1332 10.3136 35.6271 7.44574 22.86 TIMING: 2797000 CPU: 8833.31, 0.00314584/step Wall: 8833.31, 0.00314584/step, 1.92508 hours remaining, 235.707031 MB of memory in use. ENERGY: 2797000 3989.6284 20515.4221 14386.3328 254.1685 -203237.7910 2677.4335 0.0000 0.0000 52252.1036 -109162.7021 300.2936 -161414.8057 -108790.3092 300.0858 -126.7076 -102.0039 765154.8584 11.9742 11.9283 PRESSURE: 2797200 389.106 -197.564 -132.812 -197.564 87.1415 52.0639 -132.812 52.0635 46.591 GPRESSURE: 2797200 362.111 -212.45 -198.674 -227.408 92.4122 -0.887064 -62.6874 26.2172 125.316 PRESSAVG: 2797200 -11.9226 -37.5268 36.6444 -37.5269 12.1655 -27.5325 36.6444 -27.5326 3.35115 GPRESSAVG: 2797200 -11.5359 -37.7903 38.4069 -36.2923 11.2573 -29.3037 35.8428 -27.4358 4.24807 TIMING: 2797200 CPU: 8833.94, 0.00314041/step Wall: 8833.94, 0.00314041/step, 1.92158 hours remaining, 235.707031 MB of memory in use. ENERGY: 2797200 3984.4272 20432.9395 14461.6712 268.5429 -203490.3241 2911.4541 0.0000 0.0000 52169.4361 -109261.8531 299.8185 -161431.2892 -108886.8046 299.5722 174.2795 193.2799 762739.8932 1.1980 1.3232 PRESSURE: 2797400 288.006 -49.463 102.177 -49.4628 304.579 -131.89 102.177 -131.889 -229.23 GPRESSURE: 2797400 405.919 -23.6544 71.2859 92.4063 215.512 -43.7031 -17.3784 -179.988 -151.914 PRESSAVG: 2797400 -23.9763 -56.8723 38.4358 -56.8723 -8.81122 -14.7588 38.4358 -14.7588 11.6649 GPRESSAVG: 2797400 -23.3123 -55.7869 36.4181 -56.8051 -7.64445 -13.3606 38.6307 -14.9756 10.3524 TIMING: 2797400 CPU: 8834.56, 0.00312808/step Wall: 8834.56, 0.00312808/step, 1.91387 hours remaining, 235.707031 MB of memory in use. ENERGY: 2797400 4029.1346 20642.7133 14380.7025 252.9924 -203395.0398 2818.0204 0.0000 0.0000 52142.5228 -109128.9538 299.6638 -161271.4766 -108773.7654 299.4887 121.1184 156.5056 762564.2263 -7.0409 -6.8681 PRESSURE: 2797600 -161.273 -89.7174 62.0573 -89.7172 -63.1184 28.3556 62.0562 28.3558 -21.2197 GPRESSURE: 2797600 -96.0671 -166.621 73.6207 -208.214 -12.8603 -38.0851 29.5632 124.211 -45.446 PRESSAVG: 2797600 -34.924 -85.3811 28.823 -85.381 39.0016 1.54292 28.823 1.54294 -14.867 GPRESSAVG: 2797600 -35.8404 -85.1661 27.8614 -88.0635 40.091 1.7107 31.4701 1.61141 -14.9177 TIMING: 2797600 CPU: 8835.19, 0.00313841/step Wall: 8835.19, 0.00313841/step, 1.92001 hours remaining, 235.707031 MB of memory in use. ENERGY: 2797600 3898.2254 20353.7746 14423.9539 230.8190 -203142.3268 2668.9040 0.0000 0.0000 52182.2949 -109384.3551 299.8924 -161566.6500 -109014.7094 299.4799 -81.8704 -51.4578 763482.0295 -3.5965 -3.5557 PRESSURE: 2797800 63.5408 -16.1433 -286.988 -16.1428 173.564 -105.357 -286.987 -105.357 258.167 GPRESSURE: 2797800 104.576 -45.1586 -176.231 -66.1037 203.16 -136.881 -278.719 -134.667 272.892 PRESSAVG: 2797800 5.0413 -14.4503 -46.7746 -14.4504 15.181 7.91721 -46.7746 7.9172 2.58026 GPRESSAVG: 2797800 5.66851 -13.6933 -44.8962 -15.2473 13.9045 6.39733 -47.9434 11.0134 3.34233 TIMING: 2797800 CPU: 8835.82, 0.00316206/step Wall: 8835.82, 0.00316206/step, 1.9343 hours remaining, 235.707031 MB of memory in use. ENERGY: 2797800 4006.9692 20604.1370 14510.7503 232.2754 -203434.6757 2948.9307 0.0000 0.0000 51687.3334 -109444.2797 297.0478 -161131.6131 -109088.5699 299.0973 165.0906 193.5426 763192.6351 7.6009 7.6384 PRESSURE: 2798000 -8.89712 -201.573 9.48869 -201.573 39.8968 -154.982 9.48963 -154.982 -45.3647 GPRESSURE: 2798000 70.6419 -245.801 40.4524 -156.608 -49.6977 -162.074 -1.82784 -3.76646 40.0157 PRESSAVG: 2798000 -28.6989 -44.9145 -6.91857 -44.9144 66.9914 21.4781 -6.91854 21.4781 -5.8994 GPRESSAVG: 2798000 -27.8506 -46.2719 -7.93011 -41.9628 65.6766 21.8811 -5.58202 20.1446 -5.91277 TIMING: 2798000 CPU: 8836.45, 0.00314773/step Wall: 8836.45, 0.00314773/step, 1.92536 hours remaining, 235.707031 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: 2798000 3980.2447 20491.1732 14526.1474 238.7164 -203481.3350 2725.9299 0.0000 0.0000 52262.4484 -109256.6750 300.3530 -161519.1234 -108899.0917 299.5498 -4.7883 20.3200 762914.4340 10.7977 10.6378 PRESSURE: 2798200 -40.4314 -49.5895 55.9327 -49.5899 -382.39 18.1641 55.9318 18.1638 -89.2037 GPRESSURE: 2798200 -59.0665 -103.678 45.914 -2.72908 -282.79 3.67244 63.5572 85.8417 -89.9007 PRESSAVG: 2798200 -44.7749 5.59076 -22.214 5.59076 93.6106 1.65895 -22.214 1.65897 15.0855 GPRESSAVG: 2798200 -44.8914 6.46642 -22.1193 5.63058 93.383 1.18269 -24.429 2.66636 15.1851 TIMING: 2798200 CPU: 8837.08, 0.00314629/step Wall: 8837.08, 0.00314629/step, 1.92431 hours remaining, 235.707031 MB of memory in use. ENERGY: 2798200 4096.3234 20431.3643 14504.0711 243.2269 -203489.3952 2694.6394 0.0000 0.0000 52346.6703 -109173.0998 300.8370 -161519.7701 -108813.6452 299.9183 -170.6749 -143.9191 763026.8399 21.3071 21.2256 PRESSURE: 2798400 -35.6266 53.1797 153.392 53.1803 -21.9876 138.977 153.391 138.977 -386.375 GPRESSURE: 2798400 -63.6119 75.2429 154.586 63.7893 46.6938 55.4693 249.474 243.562 -345.118 PRESSAVG: 2798400 -43.074 -2.73908 2.37013 -2.73909 32.5776 21.0776 2.37018 21.0776 6.94695 GPRESSAVG: 2798400 -44.0068 -2.55069 2.18159 -3.06242 33.1782 20.7307 5.22581 19.398 7.61511 TIMING: 2798400 CPU: 8837.71, 0.00314884/step Wall: 8837.71, 0.00314884/step, 1.92569 hours remaining, 235.707031 MB of memory in use. ENERGY: 2798400 4066.0869 20509.5456 14516.7405 246.1308 -203320.4375 2702.3805 0.0000 0.0000 52130.6608 -109148.8924 299.5956 -161279.5532 -108792.9360 299.9069 -147.9964 -120.6787 763217.1732 -1.1831 -1.0712 PRESSURE: 2798600 -79.5342 117.534 -125.24 117.534 -90.7571 -37.4045 -125.241 -37.4053 -85.0346 GPRESSURE: 2798600 -162.363 120.856 -143.277 94.1513 32.5328 52.7131 -141.286 90.4625 -48.7661 PRESSAVG: 2798600 -44.2545 -27.852 29.9382 -27.852 77.1317 13.6308 29.9382 13.6307 2.86139 GPRESSAVG: 2798600 -44.843 -27.3364 30.7751 -27.8243 77.7866 14.6598 28.2918 12.9245 2.41187 TIMING: 2798600 CPU: 8838.34, 0.00314017/step Wall: 8838.34, 0.00314017/step, 1.92021 hours remaining, 235.707031 MB of memory in use. ENERGY: 2798600 4074.9881 20386.1411 14428.0513 251.5843 -202965.2248 2454.9603 0.0000 0.0000 52126.5786 -109242.9211 299.5722 -161369.4997 -108881.0736 299.5757 -85.1086 -59.5321 762683.8386 11.9129 11.7852 PRESSURE: 2798800 8.76974 -83.0885 83.272 -83.0888 113.779 -165.595 83.272 -165.595 -230.766 GPRESSURE: 2798800 85.1383 -5.56393 28.2706 8.82075 79.8737 -92.4707 4.13419 -227.755 -185.745 PRESSAVG: 2798800 -104.523 -52.2863 4.48368 -52.2863 74.4256 -33.1803 4.4836 -33.1804 -13.4925 GPRESSAVG: 2798800 -103.868 -53.9764 5.07587 -51.9567 74.9207 -34.0301 4.11711 -31.9365 -14.315 TIMING: 2798800 CPU: 8838.97, 0.00314737/step Wall: 8838.97, 0.00314737/step, 1.92444 hours remaining, 235.707031 MB of memory in use. ENERGY: 2798800 4008.6668 20511.7681 14438.6524 255.2428 -203345.6954 2825.8518 0.0000 0.0000 52193.7818 -109111.7317 299.9584 -161305.5135 -108734.6110 299.6039 -36.0722 -6.9109 762907.0371 -14.5301 -14.4207 PRESSURE: 2799000 350.988 195.442 152.95 195.441 -8.93493 -76.291 152.95 -76.2916 371.202 GPRESSURE: 2799000 346.9 176.233 109.939 -9.24256 70.3189 -78.0295 59.7252 -132.565 383.199 PRESSAVG: 2799000 -27.3293 -22.5362 -43.1971 -22.5362 34.6413 -36.7773 -43.1971 -36.7773 15.4206 GPRESSAVG: 2799000 -26.8877 -21.3535 -43.1866 -24.5528 32.9849 -36.4002 -44.3482 -38.016 16.7157 TIMING: 2799000 CPU: 8839.6, 0.00315192/step Wall: 8839.6, 0.00315193/step, 1.92705 hours remaining, 235.707031 MB of memory in use. ENERGY: 2799000 3988.2126 20503.9959 14461.9137 240.0482 -203940.9876 3322.7874 0.0000 0.0000 52018.4252 -109405.6046 298.9506 -161424.0298 -109057.3923 299.7505 237.7518 266.8062 762744.8411 7.5776 7.6043 PRESSURE: 2799200 -56.524 -151.691 -50.7834 -151.691 -200.75 129.645 -50.7837 129.645 -119.673 GPRESSURE: 2799200 51.241 -151.464 -103.628 -93.3586 -78.032 138.923 -44.7368 -4.67862 -254.092 PRESSAVG: 2799200 -13.2814 -38.8048 -22.6317 -38.8047 56.9275 -2.39448 -22.6317 -2.39447 1.30735 GPRESSAVG: 2799200 -13.3452 -39.6959 -24.2065 -35.38 58.2787 -1.88502 -20.9079 -2.77076 0.357317 TIMING: 2799200 CPU: 8840.23, 0.003154/step Wall: 8840.23, 0.003154/step, 1.92814 hours remaining, 235.707031 MB of memory in use. ENERGY: 2799200 4003.3859 20468.9737 14451.1898 247.6131 -203374.8843 2717.1279 0.0000 0.0000 52040.1070 -109446.4870 299.0752 -161486.5939 -109074.5735 299.1362 -125.6491 -93.6276 764804.3073 14.9845 15.0970 PRESSURE: 2799400 -236.658 25.1887 130.086 25.189 -117.195 -307.669 130.086 -307.669 -59.2254 GPRESSURE: 2799400 -151.422 2.98719 193.459 171.33 -95.7619 -261.985 72.744 -259.33 -55.4448 PRESSAVG: 2799400 -30.4244 -17.4513 -21.5603 -17.4513 13.5564 -35.0199 -21.5603 -35.0199 14.5744 GPRESSAVG: 2799400 -30.6298 -15.7411 -21.8558 -19.2258 13.2786 -34.4086 -21.0572 -34.6784 15.26 TIMING: 2799400 CPU: 8840.86, 0.00316725/step Wall: 8840.86, 0.00316725/step, 1.93607 hours remaining, 235.707031 MB of memory in use. ENERGY: 2799400 3923.5343 20419.7043 14430.6915 260.9512 -203465.7181 2794.8813 0.0000 0.0000 52166.3441 -109469.6113 299.8007 -161635.9554 -109109.2149 299.2514 -137.6926 -100.8764 763604.9390 -0.7645 -0.6970 PRESSURE: 2799600 93.9217 -144.685 13.6488 -144.684 -84.4854 -34.1812 13.6491 -34.1819 -40.8882 GPRESSURE: 2799600 127.672 -98.6116 -130.684 -130.433 41.4959 82.9001 -58.0187 0.573841 -112.341 PRESSAVG: 2799600 -44.0187 -27.9995 17.8782 -27.9995 -11.359 -24.2853 17.8782 -24.2853 -30.9593 GPRESSAVG: 2799600 -43.1107 -27.8675 19.3778 -27.7561 -12.2331 -25.0603 16.9542 -20.7041 -30.8445 TIMING: 2799600 CPU: 8841.49, 0.00315273/step Wall: 8841.49, 0.00315273/step, 1.92702 hours remaining, 235.707031 MB of memory in use. ENERGY: 2799600 3968.5466 20401.5066 14349.5095 240.6712 -203438.0123 2767.5319 0.0000 0.0000 52415.1021 -109295.1444 301.2303 -161710.2465 -108931.1637 299.1365 -10.4839 18.9423 764171.1112 -28.7790 -28.7294 PRESSURE: 2799800 105.64 -121.365 -280.18 -121.365 248.515 -247.661 -280.18 -247.66 226.022 GPRESSURE: 2799800 103.675 -76.6873 -256.438 -40.2388 289.874 -259.552 -151.988 -239.466 259.31 PRESSAVG: 2799800 -13.848 -19.1998 -7.0929 -19.1998 4.21583 -21.3002 -7.09291 -21.3002 -6.22306 GPRESSAVG: 2799800 -15.0218 -19.6836 -8.28599 -19.9401 4.33485 -22.3554 -6.98698 -21.4339 -5.67262 TIMING: 2799800 CPU: 8842.13, 0.00316197/step Wall: 8842.13, 0.00316197/step, 1.93249 hours remaining, 235.707031 MB of memory in use. ENERGY: 2799800 3977.9222 20414.2322 14479.2970 244.4212 -203455.0437 2931.8666 0.0000 0.0000 52239.0416 -109168.2630 300.2185 -161407.3046 -108814.6063 299.8626 193.3924 217.6196 764260.8102 -5.2851 -5.4532 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2800000 70.0273 -12.8188 -12.4042 -12.8184 258.214 147.53 -12.4042 147.529 -83.3882 GPRESSURE: 2800000 136.554 9.69243 1.00481 107.392 285.368 163.242 96.9753 181.104 -84.1816 PRESSAVG: 2800000 -44.0808 -53.334 3.36425 -53.334 40.9232 7.46951 3.36429 7.4695 2.40637 GPRESSAVG: 2800000 -43.7017 -52.0949 4.87162 -53.8773 40.6832 8.72091 2.97594 4.7915 2.77303 TIMING: 2800000 CPU: 8842.78, 0.00324606/step Wall: 8842.78, 0.00324606/step, 1.9837 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: 2800000 3905.2141 20565.9741 14501.4848 257.4312 -203630.1174 2874.1224 0.0000 0.0000 52111.6970 -109414.1938 299.4866 -161525.8908 -109057.6017 299.8357 81.6177 112.5799 761810.7828 -0.2504 -0.0818 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800200 -612.011 -106.69 -137.208 -106.69 -278.452 -67.1016 -137.208 -67.1009 -398.972 GPRESSURE: 2800200 -551.684 -108.199 -53.4029 52.6954 -263.609 -31.0237 -123.175 -70.5247 -364.564 PRESSAVG: 2800200 -12.7414 -3.28322 9.18553 -3.28321 40.2091 -7.03382 9.18551 -7.03383 -0.62683 GPRESSAVG: 2800200 -13.4329 -5.5625 8.24838 -1.92947 41.5687 -6.23607 10.6318 -6.83988 -1.37261 TIMING: 2800200 CPU: 8843.41, 0.00319239/step Wall: 8843.41, 0.00319239/step, 1.95073 hours remaining, 235.832031 MB of memory in use. ENERGY: 2800200 3968.3884 20624.0187 14448.8011 235.1169 -202819.5126 2095.6576 0.0000 0.0000 52012.9442 -109434.5856 298.9191 -161447.5297 -109074.0416 299.1895 -429.8116 -393.2857 762386.0301 8.9469 8.9211 LDB: ============= START OF LOAD BALANCING ============== 8855.94 LDB: ============== END OF LOAD BALANCING =============== 8855.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8855.95 LDB: ============= START OF LOAD BALANCING ============== 8856.26 LDB: Largest compute 7063 load 0.029780 is 15.2% of average load 0.195589 LDB: Average compute 0.004377 is 2.2% of average load 0.195589 LDB: TIME 8856.27 LOAD: AVG 0.195589 MAX 0.215017 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.508 MB LDB: TIME 8856.27 LOAD: AVG 0.195589 MAX 0.215017 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 8856.27 LOAD: AVG 0.195589 MAX 0.215017 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 8856.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8856.27 PRESSURE: 2800400 144.957 52.6819 127.189 52.6819 -128.794 -5.57115 127.189 -5.57085 132.079 GPRESSURE: 2800400 146.009 -58.4576 178.605 26.8729 -69.8255 43.0778 20.3692 72.8885 152.69 PRESSAVG: 2800400 -28.6392 -43.1734 33.8241 -43.1734 -36.9843 10.3199 33.8241 10.3199 8.62197 GPRESSAVG: 2800400 -28.2469 -42.3819 33.9381 -43.2839 -37.8203 9.82745 31.9512 9.66148 9.48071 TIMING: 2800400 CPU: 8844.06, 0.0032083/step Wall: 8844.06, 0.0032083/step, 1.96027 hours remaining, 235.437500 MB of memory in use. ENERGY: 2800400 4102.1438 20530.3587 14429.6587 246.2547 -203403.1879 2792.0021 0.0000 0.0000 51907.2556 -109395.5144 298.3117 -161302.7699 -109045.0861 299.2903 49.4141 76.2910 761357.3555 -19.0005 -18.8622 PRESSURE: 2800600 -108.439 116.524 -5.26128 116.524 -99.6284 -1.54763 -5.26201 -1.54792 -142.333 GPRESSURE: 2800600 -125.368 33.9891 32.6862 6.04857 -92.7515 19.1162 7.25201 8.77375 -64.6168 PRESSAVG: 2800600 -6.42468 7.2823 -3.07231 7.28228 45.7826 -34.7338 -3.07235 -34.7337 11.2928 GPRESSAVG: 2800600 -6.26616 9.37063 -2.35688 6.11196 45.1054 -35.1581 -3.78984 -33.4375 11.4209 TIMING: 2800600 CPU: 8844.69, 0.0031499/step Wall: 8844.69, 0.0031499/step, 1.92442 hours remaining, 235.640625 MB of memory in use. ENERGY: 2800600 3976.9822 20642.1799 14441.5728 238.0868 -203504.7433 2602.0234 0.0000 0.0000 52252.1562 -109351.7419 300.2939 -161603.8981 -108993.1055 299.8815 -116.8000 -94.2455 761920.3390 16.8836 16.7534 PRESSURE: 2800800 -215.156 -62.0798 -13.8532 -62.0806 4.65102 109.798 -13.8533 109.798 -213.96 GPRESSURE: 2800800 -203.377 -42.6838 73.084 -96.2741 71.5036 77.1873 32.2336 46.7697 -206.426 PRESSAVG: 2800800 -35.2816 13.9071 23.5435 13.9072 14.1415 -25.3198 23.5434 -25.3198 32.1283 GPRESSAVG: 2800800 -34.9189 12.1859 23.6617 14.8753 15.1943 -25.4758 24.1331 -25.385 31.0216 TIMING: 2800800 CPU: 8845.32, 0.0031457/step Wall: 8845.32, 0.0031457/step, 1.92168 hours remaining, 235.843750 MB of memory in use. ENERGY: 2800800 4032.8981 20624.2338 14391.2203 254.8906 -203249.6189 2537.3268 0.0000 0.0000 51977.9310 -109431.1183 298.7179 -161409.0493 -109072.6029 299.4198 -141.4881 -112.7667 762052.3598 3.6628 3.7656 PRESSURE: 2801000 -351.29 149.587 24.5962 149.587 150.524 -16.5969 24.5967 -16.5968 -15.1161 GPRESSURE: 2801000 -208.853 132.478 4.61995 130.509 117.153 -6.51051 -31.7368 -5.11723 -27.7105 PRESSAVG: 2801000 -25.1033 5.07531 34.9235 5.07531 23.9785 19.9252 34.9235 19.9253 -36.8011 GPRESSAVG: 2801000 -26.2957 3.87194 34.8133 4.79927 23.3002 18.4075 34.1249 19.5558 -35.2003 TIMING: 2801000 CPU: 8845.94, 0.00314696/step Wall: 8845.94, 0.00314696/step, 1.92227 hours remaining, 235.843750 MB of memory in use. ENERGY: 2801000 4033.3943 20460.6894 14419.5182 234.0730 -203317.4957 2800.5056 0.0000 0.0000 51972.5899 -109396.7252 298.6872 -161369.3151 -109045.1383 299.1166 -71.9607 -39.8035 760899.9662 -12.6419 -12.7319 PRESSURE: 2801200 -105.187 3.64696 294.208 3.64725 7.55902 -168.545 294.208 -168.545 -375.946 GPRESSURE: 2801200 -22.067 55.3511 202.179 52.1217 -60.263 -148.131 312.108 -85.8908 -311.392 PRESSAVG: 2801200 13.2304 15.1775 50.4828 15.1775 -5.40059 11.0687 50.4828 11.0686 -2.99696 GPRESSAVG: 2801200 14.7572 16.0427 48.914 15.143 -5.31588 12.2626 50.3494 10.6164 -3.99251 TIMING: 2801200 CPU: 8846.57, 0.00314667/step Wall: 8846.57, 0.00314667/step, 1.92191 hours remaining, 235.843750 MB of memory in use. ENERGY: 2801200 4005.7614 20499.2310 14422.4031 246.9773 -203144.9042 2319.4711 0.0000 0.0000 52050.7613 -109600.2990 299.1364 -161651.0603 -109228.9889 298.7434 -157.8579 -131.2406 761437.8373 1.6110 1.8163 PRESSURE: 2801400 158.298 -19.2172 80.9511 -19.2173 -69.7223 221.347 80.9519 221.348 211.618 GPRESSURE: 2801400 112.951 66.8537 7.89741 129.82 -12.7563 100.513 109.723 196.089 283.744 PRESSAVG: 2801400 23.8833 17.789 43.9305 17.789 -49.0721 37.6904 43.9305 37.6904 -16.0119 GPRESSAVG: 2801400 23.6608 18.9028 43.7814 17.7942 -48.6108 36.8639 44.0157 36.8016 -16.6499 TIMING: 2801400 CPU: 8847.2, 0.00313345/step Wall: 8847.2, 0.00313345/step, 1.91367 hours remaining, 235.843750 MB of memory in use. ENERGY: 2801400 3994.1857 20535.5603 14515.1743 253.6828 -203550.9118 2828.4534 0.0000 0.0000 51620.4410 -109803.4143 296.6634 -161423.8553 -109447.8954 298.2702 100.0646 127.9797 762782.9395 -13.7336 -13.8666 PRESSURE: 2801600 -401.396 -62.8207 44.9396 -62.8202 -5.13796 212.019 44.939 212.018 175.349 GPRESSURE: 2801600 -257.585 -120.508 45.6051 -71.3356 1.29614 241.034 102.89 168.065 113.319 PRESSAVG: 2801600 24.9788 -36.9765 32.7776 -36.9765 -3.15713 -25.4323 32.7776 -25.4323 2.50187 GPRESSAVG: 2801600 23.4302 -37.2625 32.5581 -36.3603 -2.51164 -24.7684 34.0086 -24.9916 3.47444 TIMING: 2801600 CPU: 8847.83, 0.00313318/step Wall: 8847.83, 0.00313318/step, 1.91333 hours remaining, 235.843750 MB of memory in use. ENERGY: 2801600 3872.7530 20369.6455 14523.4300 242.8549 -203024.3199 2591.6512 0.0000 0.0000 51795.4321 -109628.5533 297.6691 -161423.9853 -109257.8702 298.4052 -77.0617 -47.6565 764727.3875 8.1079 8.1310 PRESSURE: 2801800 -429.956 -75.0893 -51.9015 -75.0898 -712.335 -87.5467 -51.9019 -87.5456 -300.828 GPRESSURE: 2801800 -398.2 -27.1824 -201.025 -110.928 -652.055 -141.946 -38.8416 -114.583 -290.215 PRESSAVG: 2801800 10.2258 -28.8036 16.5055 -28.8036 -14.1888 -0.236785 16.5055 -0.236812 -10.0033 GPRESSAVG: 2801800 12.8687 -28.8789 15.4846 -29.0875 -15.8207 -0.111581 16.4886 0.574504 -10.4529 TIMING: 2801800 CPU: 8848.46, 0.00314081/step Wall: 8848.46, 0.00314081/step, 1.91781 hours remaining, 235.843750 MB of memory in use. ENERGY: 2801800 3979.3663 20417.7310 14512.0669 248.1919 -202960.4942 2388.9465 0.0000 0.0000 51992.3335 -109421.8579 298.8007 -161414.1914 -109062.1940 298.7140 -481.0397 -446.8235 762297.6613 -4.6555 -4.4683 PRESSURE: 2802000 100.543 -120.975 -154.516 -120.975 248.826 -130.911 -154.516 -130.91 193.91 GPRESSURE: 2802000 139.815 -91.4375 -198.404 -67.6871 267.576 30.3692 -160.577 -53.4457 220.178 PRESSAVG: 2802000 27.542 -62.3483 -39.8918 -62.3483 -81.5248 -12.4441 -39.8918 -12.4442 -10.764 GPRESSAVG: 2802000 25.7442 -63.0273 -38.1227 -62.1321 -80.0551 -10.7478 -37.6562 -14.2894 -10.9027 TIMING: 2802000 CPU: 8849.09, 0.00315256/step Wall: 8849.09, 0.00315256/step, 1.92481 hours remaining, 235.843750 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: 2802000 4011.1726 20450.2247 14471.4088 255.0761 -203816.8433 3209.9985 0.0000 0.0000 52164.8811 -109254.0815 299.7923 -161418.9626 -108898.0004 299.3940 181.0929 209.1898 761812.0970 -21.5822 -21.7378 PRESSURE: 2802200 -184.034 -127.039 60.6005 -127.039 -259.885 69.7949 60.6011 69.794 -334.545 GPRESSURE: 2802200 -153.731 -203.566 39.6842 -0.190031 -176.662 98.9031 88.8366 80.366 -363.438 PRESSAVG: 2802200 30.0351 -56.5981 -34.4392 -56.5981 -42.9023 13.4993 -34.4391 13.4994 -6.42324 GPRESSAVG: 2802200 29.8791 -55.3678 -35.3359 -56.522 -42.7258 12.2006 -34.5533 15.6151 -6.32913 TIMING: 2802200 CPU: 8849.72, 0.00314674/step Wall: 8849.72, 0.00314674/step, 1.92109 hours remaining, 235.843750 MB of memory in use. ENERGY: 2802200 4019.2264 20509.7494 14459.4920 251.3232 -202919.8273 2447.1596 0.0000 0.0000 52029.2823 -109203.5943 299.0130 -161232.8767 -108845.4321 299.2026 -259.4881 -231.2768 763132.5454 -6.4302 -6.3919 PRESSURE: 2802400 -105.19 20.2484 -85.1488 20.2491 -265.15 19.3633 -85.1485 19.3632 -11.884 GPRESSURE: 2802400 -55.3569 -24.2507 -115.611 17.4818 -263.452 69.7432 -103.277 -128.894 16.604 PRESSAVG: 2802400 31.2455 -4.49018 17.6227 -4.49008 -46.2455 23.4928 17.6226 23.4928 1.02529 GPRESSAVG: 2802400 32.7566 -5.73235 17.9338 -6.60742 -48.7231 23.2696 16.1764 21.4886 2.20774 TIMING: 2802400 CPU: 8850.35, 0.00316457/step Wall: 8850.35, 0.00316457/step, 1.93179 hours remaining, 235.843750 MB of memory in use. ENERGY: 2802400 4011.3579 20609.7718 14470.2049 250.0252 -203236.2493 2534.0468 0.0000 0.0000 52062.0060 -109298.8367 299.2011 -161360.8427 -108930.3762 299.3464 -127.4077 -100.7349 762254.0602 -4.6582 -4.5863 PRESSURE: 2802600 76.426 -253.76 32.7589 -253.76 -204.375 -103.624 32.7604 -103.624 -91.1551 GPRESSURE: 2802600 96.7153 -142.086 54.4755 -248.889 -113.942 -158.688 15.0057 -203.451 -75.2416 PRESSAVG: 2802600 0.298963 -45.6758 -68.115 -45.6758 -3.93284 -27.8449 -68.115 -27.8448 4.26238 GPRESSAVG: 2802600 -0.290274 -44.7364 -67.1715 -43.3411 -2.16496 -28.3933 -68.6184 -26.3277 3.28641 TIMING: 2802600 CPU: 8850.98, 0.00316482/step Wall: 8850.98, 0.00316482/step, 1.93177 hours remaining, 235.843750 MB of memory in use. ENERGY: 2802600 4171.9281 20534.3378 14457.0464 249.4915 -203508.2283 2867.5436 0.0000 0.0000 52148.0602 -109079.8209 299.6956 -161227.8811 -108721.0645 300.1727 -73.0347 -30.8229 761257.1467 0.2095 0.2771 PRESSURE: 2802800 33.2364 106.66 104.578 106.66 214.818 -111.537 104.578 -111.537 314.102 GPRESSURE: 2802800 106.629 -30.2173 155.3 148.66 174.778 -23.8514 187.38 -105.42 361.153 PRESSAVG: 2802800 -17.5929 -47.0487 -52.5023 -47.0487 -11.5289 34.5184 -52.5023 34.5184 11.6541 GPRESSAVG: 2802800 -17.4857 -46.6882 -52.8077 -49.725 -12.1509 36.0157 -52.8538 34.5616 11.9298 TIMING: 2802800 CPU: 8851.61, 0.00315688/step Wall: 8851.61, 0.00315688/step, 1.92675 hours remaining, 235.843750 MB of memory in use. ENERGY: 2802800 4066.1173 20613.3047 14444.5012 239.7104 -203274.8448 2766.7396 0.0000 0.0000 52005.1379 -109139.3337 298.8742 -161144.4715 -108771.7034 300.3476 187.3854 214.1866 762194.1602 -5.8226 -5.9023 PRESSURE: 2803000 -69.1178 -129.116 21.7983 -129.116 28.6448 -111.403 21.799 -111.403 105.462 GPRESSURE: 2803000 -31.6492 -27.1374 -35.0148 -132.696 200.533 -10.4323 -74.8131 -121.446 -26.6445 PRESSAVG: 2803000 -3.79305 -48.6891 -16.1355 -48.6891 0.58856 -42.5759 -16.1355 -42.5759 6.45533 GPRESSAVG: 2803000 -5.15158 -48.724 -17.1454 -46.5588 1.73011 -42.8133 -16.5837 -43.131 6.30165 TIMING: 2803000 CPU: 8852.24, 0.00315675/step Wall: 8852.24, 0.00315675/step, 1.9265 hours remaining, 235.843750 MB of memory in use. ENERGY: 2803000 4104.3275 20572.7387 14420.6232 236.5116 -203645.5560 2735.6653 0.0000 0.0000 52223.4071 -109352.2827 300.1286 -161575.6897 -108995.4813 299.6279 21.6629 47.4132 761163.4563 1.0836 0.9601 PRESSURE: 2803200 -186.442 -280.989 -101.228 -280.99 197.389 21.604 -101.228 21.6045 -8.50432 GPRESSURE: 2803200 -111.027 -90.3498 -80.9281 -161.225 221.74 -33.4753 -43.2367 -73.3853 -33.9747 PRESSAVG: 2803200 -43.0998 -43.3698 -13.5918 -43.3698 1.98008 -1.40871 -13.5919 -1.40873 12.453 GPRESSAVG: 2803200 -41.3888 -43.2821 -12.4231 -45.6562 0.249224 -2.76432 -14.5256 -1.46493 12.7862 TIMING: 2803200 CPU: 8852.87, 0.00313967/step Wall: 8852.87, 0.00313967/step, 1.9159 hours remaining, 235.843750 MB of memory in use. ENERGY: 2803200 3999.8766 20456.2961 14509.9699 261.7810 -203527.3588 2688.3501 0.0000 0.0000 52174.2492 -109436.8359 299.8461 -161611.0851 -109074.1462 299.6091 0.8143 25.5797 760734.1171 -9.5556 -9.4511 PRESSURE: 2803400 83.7895 -61.3279 -71.3688 -61.3276 -11.5998 295.535 -71.3682 295.535 -258.54 GPRESSURE: 2803400 121.651 -32.2748 -82.1028 9.48718 33.6463 234.772 -21.0648 196.174 -257.972 PRESSAVG: 2803400 -37.9447 -97.7375 32.7632 -97.7375 40.4825 6.37091 32.7632 6.37086 -21.4334 GPRESSAVG: 2803400 -37.7364 -99.2307 32.2977 -96.1132 41.143 6.73394 35.0176 8.13003 -22.2071 TIMING: 2803400 CPU: 8853.5, 0.00315011/step Wall: 8853.5, 0.00315011/step, 1.92209 hours remaining, 235.843750 MB of memory in use. ENERGY: 2803400 4036.6682 20632.6649 14512.8928 239.0276 -202872.5182 2413.7497 0.0000 0.0000 51752.5549 -109284.9599 297.4226 -161037.5148 -108921.0521 299.8453 -62.1167 -34.2249 763530.7572 -6.2986 -6.2668 PRESSURE: 2803600 -194.108 -188.105 63.0874 -188.106 -68.7464 -43.4087 63.0866 -43.4079 197.714 GPRESSURE: 2803600 -74.0174 -218.808 -63.3236 -63.6772 -130.929 -20.4807 14.7605 18.8449 197.185 PRESSAVG: 2803600 -1.20342 -119.938 35.8463 -119.938 5.39287 22.1065 35.8463 22.1065 5.53638 GPRESSAVG: 2803600 -1.55131 -118.914 35.7007 -118.307 5.08201 23.6135 36.2016 18.9819 7.06483 TIMING: 2803600 CPU: 8854.13, 0.00315604/step Wall: 8854.13, 0.00315604/step, 1.92553 hours remaining, 235.843750 MB of memory in use. ENERGY: 2803600 4012.3247 20465.8903 14498.6117 259.7321 -203131.8694 2104.5704 0.0000 0.0000 52195.2633 -109595.4771 299.9669 -161790.7403 -109233.5697 299.0634 -21.7135 -2.5870 763164.6564 3.2419 3.5318 PRESSURE: 2803800 135.235 33.0715 -17.4169 33.0716 136.531 -81.7141 -17.4171 -81.7154 -442.395 GPRESSURE: 2803800 135.892 3.66798 5.19468 68.3368 153.209 -82.0713 -12.0333 -104.286 -380.32 PRESSAVG: 2803800 -55.7843 -12.8067 -5.61073 -12.8067 30.7319 -2.39916 -5.61068 -2.39926 -23.9128 GPRESSAVG: 2803800 -55.433 -13.713 -4.38965 -13.2239 30.3256 -3.29318 -7.27381 -1.42791 -24.0835 TIMING: 2803800 CPU: 8854.76, 0.00315406/step Wall: 8854.76, 0.00315406/step, 1.92415 hours remaining, 235.855469 MB of memory in use. ENERGY: 2803800 3960.9565 20483.5658 14465.6270 267.9562 -203929.5223 2936.5511 0.0000 0.0000 51994.9154 -109819.9504 298.8155 -161814.8658 -109458.6627 298.6746 -56.8764 -30.4062 761476.3251 -16.3217 -16.3970 PRESSURE: 2804000 -128.819 -118.858 29.0481 -118.858 -144.976 -40.7742 29.0492 -40.7751 -25.0171 GPRESSURE: 2804000 -44.0891 -111.775 -13.3825 -173.784 -188.002 -38.0622 64.7181 -90.3805 33.5196 PRESSAVG: 2804000 -17.2296 -1.41118 -33.363 -1.4112 21.7591 20.7362 -33.363 20.7362 -8.11819 GPRESSAVG: 2804000 -17.6827 -0.116691 -34.4952 -3.19729 22.9134 20.6277 -33.7287 19.4819 -8.42255 TIMING: 2804000 CPU: 8855.4, 0.00315871/step Wall: 8855.4, 0.00315871/step, 1.92681 hours remaining, 235.855469 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: 2804000 4057.6346 20484.0280 14526.4678 249.4655 -203645.2586 2584.7288 0.0000 0.0000 51991.6908 -109751.2431 298.7970 -161742.9339 -109398.5015 298.2872 -99.6039 -66.1904 761027.1087 -1.1962 -1.0640 PRESSURE: 2804200 27.17 -128.743 282.926 -128.743 135.041 -16.9364 282.926 -16.937 239.007 GPRESSURE: 2804200 79.218 -57.6316 334.99 -194.32 201.314 -54.191 310.713 87.6476 213.428 PRESSAVG: 2804200 1.48933 -37.2518 -7.89406 -37.2517 15.5599 -11.6289 -7.89401 -11.629 7.90273 GPRESSAVG: 2804200 0.947738 -37.0719 -7.24413 -35.8787 16.696 -13.3905 -6.42003 -8.71649 7.46487 TIMING: 2804200 CPU: 8856.03, 0.00315177/step Wall: 8856.03, 0.00315177/step, 1.9224 hours remaining, 235.855469 MB of memory in use. ENERGY: 2804200 3967.4989 20584.8827 14393.2871 241.1328 -203398.6925 2533.8545 0.0000 0.0000 52057.5889 -109620.4475 299.1757 -161678.0365 -109260.9846 298.9000 133.7392 164.6534 762283.5826 8.3173 8.3695 LDB: ============= START OF LOAD BALANCING ============== 8868.56 LDB: ============== END OF LOAD BALANCING =============== 8868.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8868.56 LDB: ============= START OF LOAD BALANCING ============== 8868.88 LDB: Largest compute 7024 load 0.032060 is 16.4% of average load 0.195557 LDB: Average compute 0.004386 is 2.2% of average load 0.195557 LDB: TIME 8868.88 LOAD: AVG 0.195557 MAX 0.214739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 8868.88 LOAD: AVG 0.195557 MAX 0.214739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 8868.88 LOAD: AVG 0.195557 MAX 0.214739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 8868.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8868.89 PRESSURE: 2804400 42.8049 182.539 -27.6415 182.539 159.856 102.476 -27.6411 102.475 -73.5629 GPRESSURE: 2804400 88.1515 220.315 -145.153 126.613 146.764 39.0564 31.1049 46.3455 -42.146 PRESSAVG: 2804400 -14.8151 -67.3171 -10.4119 -67.3172 1.6981 47.4675 -10.4119 47.4675 -9.6266 GPRESSAVG: 2804400 -13.1711 -66.4853 -12.1474 -68.1419 -0.270908 47.4706 -10.9996 46.1802 -9.627 TIMING: 2804400 CPU: 8856.67, 0.00322083/step Wall: 8856.67, 0.00322083/step, 1.96435 hours remaining, 235.453125 MB of memory in use. ENERGY: 2804400 3949.7650 20634.3687 14419.5095 255.8655 -203811.5702 2921.4513 0.0000 0.0000 52086.4341 -109544.1761 299.3415 -161630.6102 -109182.4214 299.0170 43.0328 64.2566 760521.7146 -7.5812 -7.6897 PRESSURE: 2804600 121.867 31.5866 -103.471 31.5865 249.724 -103.841 -103.471 -103.841 180.56 GPRESSURE: 2804600 210.462 98.3991 -147.053 9.08584 183.037 -104.256 -49.8886 -12.5699 249.59 PRESSAVG: 2804600 -24.6263 -45.3259 29.7713 -45.3259 12.3263 11.6602 29.7713 11.6602 6.83941 GPRESSAVG: 2804600 -26.784 -46.1164 31.4471 -46.0439 12.6962 12.8426 29.9187 13.3179 8.72243 TIMING: 2804600 CPU: 8857.29, 0.00312097/step Wall: 8857.29, 0.00312097/step, 1.90327 hours remaining, 235.453125 MB of memory in use. ENERGY: 2804600 3983.8863 20468.5086 14419.6654 235.7652 -203436.8283 2714.9223 0.0000 0.0000 52040.9237 -109573.1567 299.0799 -161614.0805 -109212.0784 299.1281 184.0501 214.3634 760027.2359 -1.8202 -1.7885 PRESSURE: 2804800 -138.635 43.3326 -197.39 43.3338 -188.561 -48.4329 -197.39 -48.433 335.161 GPRESSURE: 2804800 -115.992 20.2922 -78.2449 18.7092 -51.7219 -41.8186 -208.889 -53.921 259.732 PRESSAVG: 2804800 82.9863 44.9991 35.3968 44.999 -18.321 13.218 35.3968 13.218 -3.73914 GPRESSAVG: 2804800 84.368 42.5848 34.681 47.9678 -17.8822 13.5145 35.0992 11.5433 -5.9335 TIMING: 2804800 CPU: 8857.92, 0.00313258/step Wall: 8857.92, 0.00313258/step, 1.91018 hours remaining, 235.453125 MB of memory in use. ENERGY: 2804800 3998.9611 20572.5485 14444.0136 226.4467 -203687.0849 2770.8807 0.0000 0.0000 51938.3794 -109735.8550 298.4906 -161674.2343 -109372.5101 299.0862 2.6551 30.6724 760579.4005 20.3087 20.1841 PRESSURE: 2805000 -59.1817 -27.0207 132.077 -27.0201 27.7545 60.9336 132.076 60.9339 269.075 GPRESSURE: 2805000 -83.836 104.276 156.337 -66.2131 61.1729 59.4749 140.631 173.287 343.755 PRESSAVG: 2805000 57.6403 33.6952 22.0364 33.6952 -56.9379 17.2827 22.0364 17.2827 -11.4709 GPRESSAVG: 2805000 56.4269 35.2233 23.0215 31.049 -57.1202 16.9642 21.4737 16.626 -9.51067 TIMING: 2805000 CPU: 8858.55, 0.00314436/step Wall: 8858.55, 0.00314436/step, 1.91718 hours remaining, 235.453125 MB of memory in use. ENERGY: 2805000 3991.3142 20570.7722 14445.7374 253.5637 -203310.3986 2690.6345 0.0000 0.0000 51798.4550 -109559.9216 297.6864 -161358.3766 -109199.8452 298.4669 79.2160 107.0306 761583.3803 -3.5895 -3.4013 PRESSURE: 2805200 -107.694 -277.485 61.2578 -277.485 -395.536 -134.895 61.2579 -134.897 -4.98343 GPRESSURE: 2805200 8.00109 -198.595 22.4155 -186.198 -365.259 -172.027 5.69578 -87.6703 -69.0613 PRESSAVG: 2805200 48.6522 2.64074 29.28 2.64076 -54.8463 12.3343 29.28 12.3343 -30.0793 GPRESSAVG: 2805200 50.0815 2.22476 27.6081 4.63085 -54.5092 12.4597 29.0843 14.9665 -31.5089 TIMING: 2805200 CPU: 8859.18, 0.00313919/step Wall: 8859.18, 0.00313919/step, 1.91386 hours remaining, 235.453125 MB of memory in use. ENERGY: 2805200 4003.4007 20475.9383 14441.0370 249.0034 -203674.3160 2870.5017 0.0000 0.0000 52131.3970 -109503.0380 299.5999 -161634.4349 -109136.3281 298.9558 -169.4044 -142.1065 761212.6624 -12.0911 -11.9789 PRESSURE: 2805400 23.1306 -68.1546 28.402 -68.1552 -166.157 87.8267 28.402 87.8285 -82.5067 GPRESSURE: 2805400 45.9264 42.2765 79.9216 40.455 -119.851 -20.3289 51.8106 90.886 -65.8357 PRESSAVG: 2805400 -12.4255 -23.8599 90.4058 -23.8599 10.813 -24.8958 90.4058 -24.8957 1.08264 GPRESSAVG: 2805400 -13.5715 -23.1344 91.0702 -24.9026 10.843 -26.7372 91.2682 -25.0721 1.87774 TIMING: 2805400 CPU: 8859.8, 0.00313592/step Wall: 8859.8, 0.00313592/step, 1.91169 hours remaining, 235.453125 MB of memory in use. ENERGY: 2805400 3987.1761 20613.1768 14478.7711 249.8776 -203720.0727 2859.1788 0.0000 0.0000 51979.9369 -109551.9553 298.7294 -161531.8922 -109192.6907 299.0798 -75.1776 -46.5867 761797.3329 -0.1766 -0.2836 PRESSURE: 2805600 74.1168 -244.012 -128.593 -244.012 25.883 -168.057 -128.594 -168.056 -340.557 GPRESSURE: 2805600 44.7428 -187.474 -44.499 -156.237 55.7026 -112.341 -58.2794 -158.972 -255.413 PRESSAVG: 2805600 -27.4729 -67.6711 14.3929 -67.6712 -46.8277 -19.6403 14.393 -19.6402 14.3135 GPRESSAVG: 2805600 -26.8119 -67.2744 15.794 -68.5022 -47.0364 -18.33 13.0108 -19.1985 13.9046 TIMING: 2805600 CPU: 8860.43, 0.00313466/step Wall: 8860.43, 0.00313466/step, 1.91075 hours remaining, 235.453125 MB of memory in use. ENERGY: 2805600 3957.3025 20609.0193 14411.7084 251.7258 -203226.5252 2529.5225 0.0000 0.0000 51882.7115 -109584.5351 298.1707 -161467.2466 -109232.9941 298.5776 -80.1857 -51.6559 763370.0073 -19.9957 -19.9812 PRESSURE: 2805800 255.073 66.8589 63.9451 66.859 -28.3466 -260.933 63.9453 -260.934 451.465 GPRESSURE: 2805800 336.415 114.891 157.357 92.3205 33.6667 -149.512 -45.6919 -276.696 385.525 PRESSAVG: 2805800 6.88871 -78.2442 21.3145 -78.2442 -2.94261 -38.5828 21.3144 -38.5829 -15.0475 GPRESSAVG: 2805800 7.26425 -76.5707 21.0515 -77.4608 -4.14905 -39.0354 22.2362 -39.2785 -13.8372 TIMING: 2805800 CPU: 8861.06, 0.0031394/step Wall: 8861.06, 0.0031394/step, 1.91346 hours remaining, 235.453125 MB of memory in use. ENERGY: 2805800 3992.3770 20547.2500 14426.3852 247.3936 -203619.2021 2979.1502 0.0000 0.0000 51945.4705 -109481.1756 298.5313 -161426.6461 -109137.1931 298.7167 226.0637 251.8690 763875.2878 -3.7005 -3.5740 PRESSURE: 2806000 -170.051 16.0935 11.7567 16.093 20.6157 -287.3 11.7561 -287.3 390.09 GPRESSURE: 2806000 -80.0128 2.1848 56.6865 26.9668 34.5782 -184.588 -15.1911 -241.675 399.14 PRESSAVG: 2806000 -23.3968 -2.62649 2.86466 -2.62655 36.7002 -14.8687 2.86472 -14.8685 -7.29469 GPRESSAVG: 2806000 -21.7691 -3.83315 0.427387 -3.73921 37.0991 -13.3088 4.51827 -14.407 -8.65797 TIMING: 2806000 CPU: 8861.69, 0.00314712/step Wall: 8861.69, 0.00314712/step, 1.91799 hours remaining, 235.710938 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: 2806000 4061.3291 20454.8249 14375.4406 251.7335 -204169.8699 3389.2448 0.0000 0.0000 52034.2391 -109603.0579 299.0415 -161637.2970 -109248.7309 298.6558 80.2182 117.9019 762220.6130 2.0029 2.2240 PRESSURE: 2806200 -153.757 -202.102 -80.1221 -202.101 -64.1146 41.3586 -80.1213 41.3581 -113.658 GPRESSURE: 2806200 -135.205 -242.301 -58.8038 -205.017 -26.0572 80.9262 -138.677 -32.6065 -71.0026 PRESSAVG: 2806200 -25.9508 -18.902 -8.17077 -18.9019 25.1476 -20.7329 -8.17075 -20.733 -29.8491 GPRESSAVG: 2806200 -27.0036 -18.2601 -5.0571 -19.1343 25.2 -21.534 -10.4942 -21.1307 -28.3595 TIMING: 2806200 CPU: 8862.32, 0.00313976/step Wall: 8862.32, 0.00313976/step, 1.91333 hours remaining, 235.710938 MB of memory in use. ENERGY: 2806200 3967.6421 20619.6363 14402.1856 236.2298 -203224.8731 2604.4559 0.0000 0.0000 52085.2765 -109309.4468 299.3348 -161394.7233 -108944.8049 299.0385 -110.5100 -77.4215 762710.8095 -10.2174 -10.0544 PRESSURE: 2806400 -74.8193 -63.8406 -124.319 -63.8403 139.363 -9.54792 -124.319 -9.54868 -146.135 GPRESSURE: 2806400 -44.0537 -58.8206 -93.4665 -177.987 91.9427 6.48405 -161.275 -101.194 -45.684 PRESSAVG: 2806400 -42.8754 -21.3514 -28.0446 -21.3514 43.6949 -52.7158 -28.0445 -52.7159 -3.60753 GPRESSAVG: 2806400 -42.881 -19.948 -28.2709 -21.4137 44.7777 -52.8842 -26.0778 -54.2232 -5.02328 TIMING: 2806400 CPU: 8862.95, 0.00315136/step Wall: 8862.95, 0.00315136/step, 1.92023 hours remaining, 235.710938 MB of memory in use. ENERGY: 2806400 4043.8599 20428.5842 14495.8434 243.4022 -203286.4313 2750.7567 0.0000 0.0000 51970.0285 -109353.9565 298.6725 -161323.9850 -109004.6864 298.9768 -27.1973 0.7350 762783.1542 -0.9293 -1.0422 PRESSURE: 2806600 32.8866 -72.1835 -65.9048 -72.1846 -15.3695 8.2954 -65.9044 8.2959 311.895 GPRESSURE: 2806600 198.062 -91.641 -86.2616 -1.25384 3.43518 -16.0869 6.40721 101.69 216.309 PRESSAVG: 2806600 -6.23305 -56.2634 -26.1955 -56.2634 -19.0122 -28.3961 -26.1956 -28.3961 3.19489 GPRESSAVG: 2806600 -5.24568 -57.3943 -28.0938 -54.5415 -20.5665 -30.7489 -26.2804 -25.7633 3.49702 TIMING: 2806600 CPU: 8863.58, 0.00315026/step Wall: 8863.58, 0.00315026/step, 1.91939 hours remaining, 235.710938 MB of memory in use. ENERGY: 2806600 3984.0857 20499.5596 14440.5000 265.7767 -203376.1830 2713.2578 0.0000 0.0000 52099.7906 -109373.2126 299.4182 -161473.0032 -109013.6211 299.4336 109.8040 139.2686 761875.9150 -7.3501 -7.4384 PRESSURE: 2806800 -176.432 80.2465 37.4941 80.2465 199.797 -155.762 37.494 -155.763 -75.8548 GPRESSURE: 2806800 -153.664 -38.082 -24.6062 3.31205 262.068 -151.89 78.7077 -88.3144 -80.1974 PRESSAVG: 2806800 -36.1319 -50.1413 -24.9101 -50.1414 28.9353 -78.7462 -24.9101 -78.7462 18.9468 GPRESSAVG: 2806800 -37.083 -50.6679 -24.2421 -49.461 29.2951 -77.0938 -23.8534 -80.2406 19.2533 TIMING: 2806800 CPU: 8864.2, 0.0031206/step Wall: 8864.2, 0.0031206/step, 1.90114 hours remaining, 235.710938 MB of memory in use. ENERGY: 2806800 3891.8922 20486.7503 14499.4084 243.3077 -203185.5633 2732.9302 0.0000 0.0000 51945.1671 -109386.1074 298.5296 -161331.2745 -109022.9607 299.4035 -17.4965 9.4022 763779.5474 3.9167 3.8218 PRESSURE: 2807000 26.1209 -132.05 -44.4449 -132.049 30.8363 198.683 -44.4451 198.683 -350.407 GPRESSURE: 2807000 70.0387 -69.4225 -4.97965 -176.696 65.7769 211.242 -111.37 29.0338 -337.375 PRESSAVG: 2807000 -52.8341 -19.2473 -65.26 -19.2473 36.8489 -39.285 -65.26 -39.2849 -14.4892 GPRESSAVG: 2807000 -54.1547 -18.1447 -65.4275 -21.0292 37.5806 -40.2626 -65.9908 -38.5161 -13.9332 TIMING: 2807000 CPU: 8864.83, 0.00313968/step Wall: 8864.83, 0.00313968/step, 1.91259 hours remaining, 235.710938 MB of memory in use. ENERGY: 2807000 3972.8253 20471.5679 14444.2798 269.9778 -203136.5218 2601.4522 0.0000 0.0000 52029.7972 -109346.6215 299.0160 -161376.4187 -108996.7092 298.7962 -97.8165 -67.1865 761197.9294 -10.1581 -10.1691 PRESSURE: 2807200 -61.024 158.61 248.217 158.611 -64.5064 -155.058 248.218 -155.059 21.9705 GPRESSURE: 2807200 -116.639 139.784 281.837 224.166 -6.64012 -96.3875 103.901 -115.554 91.8775 PRESSAVG: 2807200 21.6328 -29.2601 -15.9963 -29.2601 -44.4314 28.5375 -15.9963 28.5375 12.041 GPRESSAVG: 2807200 22.2779 -28.9071 -15.788 -27.7037 -43.7901 30.5173 -17.5789 27.1869 11.0558 TIMING: 2807200 CPU: 8865.46, 0.00313442/step Wall: 8865.46, 0.00313442/step, 1.90921 hours remaining, 235.710938 MB of memory in use. ENERGY: 2807200 3934.8133 20344.8973 14461.2940 255.5302 -203607.6157 2998.4705 0.0000 0.0000 52154.1650 -109458.4456 299.7307 -161612.6105 -109104.0438 298.8776 -34.5200 -10.4671 762959.6154 -3.5859 -3.4855 PRESSURE: 2807400 -72.6367 -41.0019 -171.238 -41.0019 -87.6761 -99.8243 -171.238 -99.8233 78.7684 GPRESSURE: 2807400 -44.6551 -14.2621 -194.694 -24.5344 -37.7763 -116.586 -159.489 -152.637 78.8374 PRESSAVG: 2807400 0.647652 13.7985 19.5498 13.7985 -36.946 -106.846 19.5498 -106.846 -9.26652 GPRESSAVG: 2807400 2.30317 13.1433 19.2179 14.9343 -37.6955 -108.147 20.9672 -104.183 -10.1473 TIMING: 2807400 CPU: 8866.08, 0.00313869/step Wall: 8866.08, 0.00313869/step, 1.91164 hours remaining, 235.710938 MB of memory in use. ENERGY: 2807400 4003.4658 20483.2473 14518.6701 234.3476 -203679.8346 2959.4502 0.0000 0.0000 52077.3826 -109403.2710 299.2894 -161480.6536 -109052.4161 299.0477 -27.1815 -1.1980 763824.9811 -15.1883 -15.1799 PRESSURE: 2807600 -6.2333 -172.329 84.9881 -172.33 -8.43856 108.397 84.9874 108.397 -94.0173 GPRESSURE: 2807600 -9.38053 -146.468 93.2453 -120.412 60.3082 238.409 125.234 153.558 -79.396 PRESSAVG: 2807600 10.1968 -40.0339 -18.32 -40.034 14.8993 34.1221 -18.3201 34.1221 20.7034 GPRESSAVG: 2807600 9.33154 -39.5692 -17.5862 -43.0327 15.5812 35.9143 -17.5856 31.0182 20.4736 TIMING: 2807600 CPU: 8866.72, 0.00315849/step Wall: 8866.72, 0.00315849/step, 1.92352 hours remaining, 235.710938 MB of memory in use. ENERGY: 2807600 3936.2727 20457.1177 14459.0305 252.6573 -203021.0445 2470.8960 0.0000 0.0000 51981.1427 -109463.9277 298.7363 -161445.0703 -109117.5402 299.1624 -36.2297 -9.4895 765087.9914 15.2665 15.1288 PRESSURE: 2807800 -89.1159 75.9181 112.432 75.918 -87.3856 -180.967 112.432 -180.967 67.2383 GPRESSURE: 2807800 -20.9271 26.1683 81.7054 0.127788 -88.2487 -175.966 201.724 -183.858 85.227 PRESSAVG: 2807800 -5.35348 -13.8689 34.2215 -13.869 18.4289 -5.47043 34.2216 -5.47041 17.7249 GPRESSAVG: 2807800 -5.36042 -12.9235 34.2825 -15.0366 17.4486 -6.39224 32.3634 -3.63263 18.9098 TIMING: 2807800 CPU: 8867.35, 0.0031582/step Wall: 8867.35, 0.0031582/step, 1.92317 hours remaining, 235.710938 MB of memory in use. ENERGY: 2807800 4001.3085 20489.8515 14391.4351 242.3638 -203303.0869 2911.3816 0.0000 0.0000 52135.5875 -109131.1589 299.6239 -161266.7464 -108765.9575 299.0109 -36.4210 -7.9829 762899.2978 10.2668 10.3326 PRESSURE: 2808000 -616.658 -172.554 -84.2068 -172.553 -135.409 37.6364 -84.2061 37.6375 -615.647 GPRESSURE: 2808000 -494.161 -132.275 -28.4141 -90.3676 -208.384 37.4966 -53.995 10.5723 -576.041 PRESSAVG: 2808000 0.184595 6.76981 6.85534 6.7698 2.09383 -9.69281 6.8553 -9.6928 -4.13537 GPRESSAVG: 2808000 -0.24655 5.40092 6.85317 10.2996 2.62254 -11.4196 8.12293 -8.88731 -4.41926 TIMING: 2808000 CPU: 8867.97, 0.00313419/step Wall: 8867.97, 0.00313419/step, 1.90837 hours remaining, 235.710938 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: 2808000 4084.3749 20480.0785 14479.3304 241.2097 -202883.5958 2409.2098 0.0000 0.0000 51921.1398 -109268.2528 298.3915 -161189.3926 -108904.1476 299.1889 -455.9048 -426.1954 763123.9703 -0.6190 -0.6811 PRESSURE: 2808200 34.2109 -10.834 -57.1098 -10.8344 4.45816 170.281 -57.1101 170.281 -391.282 GPRESSURE: 2808200 37.7866 26.7936 -66.8964 -1.22484 61.7006 206.905 66.652 72.759 -359.165 PRESSAVG: 2808200 -50.0154 7.72618 11.2908 7.72616 30.33 13.7842 11.2908 13.7842 14.3705 GPRESSAVG: 2808200 -50.1236 7.51783 10.571 6.80359 31.0529 15.4485 12.0926 11.0598 13.5169 TIMING: 2808200 CPU: 8868.6, 0.00312921/step Wall: 8868.6, 0.00312921/step, 1.90517 hours remaining, 235.710938 MB of memory in use. ENERGY: 2808200 4010.6121 20463.1956 14581.9507 250.9246 -203647.1022 2886.1599 0.0000 0.0000 52032.2275 -109422.0317 299.0299 -161454.2593 -109066.2507 299.4229 -117.5378 -86.5594 762221.4430 -1.7716 -1.8512 LDB: ============= START OF LOAD BALANCING ============== 8881.13 LDB: ============== END OF LOAD BALANCING =============== 8881.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8881.13 LDB: ============= START OF LOAD BALANCING ============== 8881.45 LDB: Largest compute 7065 load 0.032658 is 16.7% of average load 0.195507 LDB: Average compute 0.004392 is 2.2% of average load 0.195507 LDB: TIME 8881.45 LOAD: AVG 0.195507 MAX 0.214407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.914 MB LDB: TIME 8881.45 LOAD: AVG 0.195507 MAX 0.214407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: TIME 8881.45 LOAD: AVG 0.195507 MAX 0.214407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: ============== END OF LOAD BALANCING =============== 8881.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8881.46 PRESSURE: 2808400 -24.2945 -191.869 -172.169 -191.869 -260.01 -135.714 -172.169 -135.715 -188.556 GPRESSURE: 2808400 -55.3838 -141.245 -156.002 -92.9646 -164.657 -112.406 -114.985 3.51327 -171.461 PRESSAVG: 2808400 -17.6789 3.54832 -3.28122 3.54834 90.2974 45.8504 -3.28123 45.8504 -6.83836 GPRESSAVG: 2808400 -17.2237 4.39828 -2.43648 4.34394 88.7167 45.347 -3.11136 48.5727 -5.60882 TIMING: 2808400 CPU: 8869.24, 0.00320215/step Wall: 8869.24, 0.00320215/step, 1.94939 hours remaining, 233.656250 MB of memory in use. ENERGY: 2808400 3892.0864 20583.0914 14530.8978 261.1806 -203112.8090 2497.3477 0.0000 0.0000 51721.7241 -109626.4810 297.2455 -161348.2051 -109260.2174 299.0329 -157.6200 -130.5007 763975.1323 21.9267 21.9614 PRESSURE: 2808600 -335.037 168.356 -24.3924 168.356 27.179 117.615 -24.3926 117.615 -47.1009 GPRESSURE: 2808600 -315.343 149.35 -77.3796 154.904 129.066 86.0804 -242.123 155.695 -85.7952 PRESSAVG: 2808600 -20.9929 -59.9416 29.251 -59.9416 4.24432 0.834048 29.2509 0.834108 -11.2646 GPRESSAVG: 2808600 -21.4352 -57.298 27.6597 -62.1408 5.61872 1.22796 29.2155 0.318418 -12.0252 TIMING: 2808600 CPU: 8869.86, 0.00311424/step Wall: 8869.86, 0.00311424/step, 1.89571 hours remaining, 233.859375 MB of memory in use. ENERGY: 2808600 3997.5449 20473.4811 14568.9498 224.7114 -203953.0169 3009.6792 0.0000 0.0000 52149.2096 -109529.4409 299.7022 -161678.6505 -109172.1061 298.8333 -118.3197 -90.6906 761932.9316 -9.3377 -9.2806 PRESSURE: 2808800 -320.486 86.7105 -97.2825 86.71 -124.861 -151.542 -97.2822 -151.542 -174.706 GPRESSURE: 2808800 -288.898 170.044 -79.2585 74.5855 -21.6044 -78.1775 -167.272 -173.613 -226.592 PRESSAVG: 2808800 -31.0231 -4.9298 -4.05581 -4.92983 31.286 41.8418 -4.05583 41.8418 0.286646 GPRESSAVG: 2808800 -30.9884 -7.93097 -2.37723 -5.87184 31.331 42.3714 -5.53694 39.7895 0.0865352 TIMING: 2808800 CPU: 8870.49, 0.00312344/step Wall: 8870.49, 0.00312344/step, 1.90113 hours remaining, 233.859375 MB of memory in use. ENERGY: 2808800 3983.8704 20456.7869 14460.8806 246.9964 -203399.8399 2600.9785 0.0000 0.0000 52275.9461 -109374.3809 300.4306 -161650.3270 -109012.5603 299.3780 -206.6845 -179.0312 761636.6231 0.1832 0.1430 PRESSURE: 2809000 51.7426 -221.532 131.062 -221.532 43.6333 144.618 131.062 144.618 -185.875 GPRESSURE: 2809000 7.43286 -157.373 114.054 -128.033 168.135 91.224 136.104 32.8642 -174.333 PRESSAVG: 2809000 -60.7398 -31.2769 38.1181 -31.277 37.1825 24.3058 38.1181 24.3058 2.73125 GPRESSAVG: 2809000 -61.1842 -29.5416 35.5741 -30.4863 37.307 25.679 38.4493 23.5102 3.79147 TIMING: 2809000 CPU: 8871.11, 0.0031245/step Wall: 8871.11, 0.0031245/step, 1.90161 hours remaining, 233.859375 MB of memory in use. ENERGY: 2809000 4065.6553 20552.9773 14486.7350 250.6897 -202982.6445 2595.6794 0.0000 0.0000 51966.7323 -109064.1756 298.6535 -161030.9079 -108705.0076 298.9489 -30.1662 0.4117 762959.5429 -6.9420 -6.6952 PRESSURE: 2809200 -312.814 46.5126 -228.303 46.5128 -107.099 -123.074 -228.302 -123.073 -466.25 GPRESSURE: 2809200 -278.366 143.879 -182.224 26.8429 -137.247 -101.334 -127.915 -65.3278 -400.176 PRESSAVG: 2809200 -23.7936 -56.2999 18.1989 -56.2999 17.6006 35.5677 18.1989 35.5677 -4.4782 GPRESSAVG: 2809200 -22.5078 -58.0556 20.1172 -58.7902 17.39 33.8759 19.5102 35.1991 -5.38345 TIMING: 2809200 CPU: 8871.74, 0.00312184/step Wall: 8871.74, 0.00312184/step, 1.89981 hours remaining, 233.859375 MB of memory in use. ENERGY: 2809200 4087.9347 20552.0793 14493.7241 220.9699 -203047.2906 2435.0852 0.0000 0.0000 52284.1569 -108973.3405 300.4778 -161257.4974 -108611.9315 300.2277 -295.3876 -271.9297 762358.7215 -3.5571 -3.5004 PRESSURE: 2809400 -457.161 66.917 121.041 66.9175 -535.822 -121.84 121.042 -121.841 -73.1503 GPRESSURE: 2809400 -440.291 59.9079 116.485 77.1381 -450.774 -104.506 221.333 -144.413 -98.2654 PRESSAVG: 2809400 -51.955 -8.25367 29.2138 -8.25374 4.5383 -21.6956 29.2139 -21.6956 -8.42862 GPRESSAVG: 2809400 -53.0045 -7.46181 29.4022 -5.07126 5.50105 -21.2439 28.7422 -19.027 -7.33282 TIMING: 2809400 CPU: 8872.37, 0.00314276/step Wall: 8872.37, 0.00314276/step, 1.91237 hours remaining, 233.859375 MB of memory in use. ENERGY: 2809400 4008.7706 20630.8067 14554.3887 251.5449 -203544.0399 2558.1631 0.0000 0.0000 52429.4155 -109110.9504 301.3126 -161540.3659 -108742.3864 299.7411 -355.3779 -329.7769 763746.6818 -18.6151 -18.2788 PRESSURE: 2809600 213.341 -167.937 76.6866 -167.939 144.277 76.2935 76.6874 76.2934 441.985 GPRESSURE: 2809600 217.247 -240.19 -17.6716 -141.958 229.743 137.147 140.061 -3.57637 444.798 PRESSAVG: 2809600 -69.4921 12.44 7.09008 12.4401 78.7787 -58.7519 7.09009 -58.7519 -5.85773 GPRESSAVG: 2809600 -68.9284 12.3238 7.64799 10.9366 77.4129 -60.4017 5.10447 -60.4392 -4.49076 TIMING: 2809600 CPU: 8873, 0.00315723/step Wall: 8873, 0.00315723/step, 1.921 hours remaining, 233.859375 MB of memory in use. ENERGY: 2809600 4047.8703 20578.2310 14502.4240 268.4805 -203359.6899 2735.8198 0.0000 0.0000 52133.2609 -109093.6034 299.6106 -161226.8643 -108736.7851 299.9376 266.5346 297.2625 761448.7211 1.1430 1.3313 PRESSURE: 2809800 -149.793 -46.1787 -182.544 -46.1789 26.6763 105.528 -182.544 105.528 -21.8825 GPRESSURE: 2809800 -59.3035 -56.5457 -160.251 39.3731 52.5612 147.763 -57.6548 51.0783 -66.9305 PRESSAVG: 2809800 -21.67 -30.6595 9.17979 -30.6595 8.90034 2.40664 9.17977 2.40661 35.6677 GPRESSAVG: 2809800 -21.0509 -31.8089 8.19325 -30.0965 9.18886 3.76373 11.2183 3.75104 34.7798 TIMING: 2809800 CPU: 8873.63, 0.00315261/step Wall: 8873.63, 0.00315261/step, 1.91802 hours remaining, 233.859375 MB of memory in use. ENERGY: 2809800 4038.3261 20615.6190 14532.5243 253.7688 -202716.6536 2214.7876 0.0000 0.0000 51944.4433 -109117.1845 298.5254 -161061.6278 -108762.3215 299.8793 -48.3332 -24.5576 761319.0115 7.6327 7.6393 PRESSURE: 2810000 -102.371 41.8373 -118.882 41.8375 -71.8137 -89.3867 -118.881 -89.3851 340.395 GPRESSURE: 2810000 -90.8906 -66.4122 -24.2547 93.9717 -36.1098 -74.3646 -20.086 -88.3925 363.857 PRESSAVG: 2810000 -57.2752 -12.5906 -23.063 -12.5905 53.248 -29.7253 -23.063 -29.7253 -18.027 GPRESSAVG: 2810000 -57.13 -10.8151 -21.4937 -14.4301 52.8342 -28.4997 -24.882 -31.4428 -18.5645 TIMING: 2810000 CPU: 8874.26, 0.00314401/step Wall: 8874.26, 0.003144/step, 1.9126 hours remaining, 233.859375 MB of memory 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 3936.2044 20559.4519 14506.8942 240.8239 -203477.1459 2837.4731 0.0000 0.0000 52244.6987 -109151.5996 300.2510 -161396.2984 -108781.9142 299.8631 55.4032 78.9522 761712.5614 -7.3514 -7.6201 PRESSURE: 2810200 -97.5313 49.3042 -93.1285 49.3031 -80.3495 -43.9914 -93.1281 -43.9926 -144.976 GPRESSURE: 2810200 -12.1827 -47.0262 -133.746 -41.2947 -178.454 -30.184 -152.791 -0.842526 -54.081 PRESSAVG: 2810200 27.1874 -22.0398 -51.211 -22.0398 -28.7275 -12.7771 -51.2109 -12.7771 -9.34716 GPRESSAVG: 2810200 26.4223 -22.3453 -52.2749 -21.7422 -28.4126 -13.9835 -52.122 -12.3433 -8.67491 TIMING: 2810200 CPU: 8874.88, 0.00313939/step Wall: 8874.88, 0.00313939/step, 1.90962 hours remaining, 233.859375 MB of memory in use. ENERGY: 2810200 3938.8017 20624.2450 14421.5212 251.6802 -203080.0674 2653.8943 0.0000 0.0000 51809.2176 -109380.7074 297.7483 -161189.9250 -109019.2640 299.2626 -107.6188 -81.5724 763461.8530 -3.6291 -3.5551 PRESSURE: 2810400 133.486 -58.9551 -74.5876 -58.9543 1.91113 95.9109 -74.587 95.9109 81.342 GPRESSURE: 2810400 210.203 -25.5467 4.98805 -7.96438 -45.9328 77.3632 -59.543 -37.3509 140.76 PRESSAVG: 2810400 42.4247 -5.42274 -36.0123 -5.42268 -53.0038 24.7662 -36.0124 24.7662 -8.59749 GPRESSAVG: 2810400 43.6699 -8.35089 -36.1575 -3.11478 -53.3123 24.9667 -33.9456 24.0571 -9.02914 TIMING: 2810400 CPU: 8875.52, 0.0031555/step Wall: 8875.52, 0.0031555/step, 1.91924 hours remaining, 233.859375 MB of memory in use. ENERGY: 2810400 3942.6391 20474.6948 14443.7247 239.9007 -203012.3309 2507.7061 0.0000 0.0000 51958.5353 -109445.1302 298.6064 -161403.6655 -109078.3863 299.0761 72.2465 101.6767 762723.5903 -6.3922 -6.2239 PRESSURE: 2810600 45.509 9.53714 324.073 9.53661 -196.449 12.1189 324.073 12.1195 65.3714 GPRESSURE: 2810600 18.5966 -32.598 165.443 -16.9426 -70.4245 16.5879 226.331 -102.2 59.6491 PRESSAVG: 2810600 -17.8044 18.1878 13.263 18.1878 -38.8948 2.1863 13.263 2.18627 -8.91445 GPRESSAVG: 2810600 -18.2913 20.0583 13.3237 16.6681 -39.3292 3.4059 12.3901 2.23934 -8.43551 TIMING: 2810600 CPU: 8876.14, 0.00314233/step Wall: 8876.14, 0.00314232/step, 1.91106 hours remaining, 233.859375 MB of memory in use. ENERGY: 2810600 4052.5425 20381.7599 14495.4096 220.2593 -203617.5527 2989.6524 0.0000 0.0000 52196.7873 -109281.1416 299.9757 -161477.9289 -108920.4172 298.9858 -28.5228 2.6071 764052.2462 -21.8712 -22.0187 PRESSURE: 2810800 423.446 176.804 52.0044 176.804 -127.081 36.7484 52.0044 36.7479 -64.2156 GPRESSURE: 2810800 449.307 133.257 113.902 260.201 -95.1506 -3.08935 88.8358 132.358 -36.3513 PRESSAVG: 2810800 15.2183 12.7458 -29.1184 12.7458 -3.54591 75.598 -29.1183 75.598 2.54143 GPRESSAVG: 2810800 13.7956 12.2555 -29.3253 14.3798 -1.74254 74.5084 -28.4703 76.5135 2.33633 TIMING: 2810800 CPU: 8876.77, 0.0031239/step Wall: 8876.77, 0.0031239/step, 1.89968 hours remaining, 233.859375 MB of memory in use. ENERGY: 2810800 4033.3056 20473.2870 14441.3954 261.2038 -203818.4271 3025.8494 0.0000 0.0000 52137.4178 -109445.9681 299.6345 -161583.3859 -109085.8137 298.9416 77.3832 105.9350 761164.5492 4.7379 4.7965 PRESSURE: 2811000 -149.719 52.3344 -107.137 52.3351 -406.118 55.951 -107.138 55.9514 28.5097 GPRESSURE: 2811000 -108.347 121.123 -64.3823 5.71264 -298.595 50.6183 -142.032 204.997 -40.0818 PRESSAVG: 2811000 29.6063 -3.20944 38.6792 -3.20932 -7.0046 28.608 38.6791 28.6081 3.31333 GPRESSAVG: 2811000 30.2776 -3.46293 39.4489 -5.34471 -7.03615 28.8834 38.0358 29.5114 3.4994 TIMING: 2811000 CPU: 8877.4, 0.00313921/step Wall: 8877.4, 0.00313921/step, 1.90881 hours remaining, 233.859375 MB of memory in use. ENERGY: 2811000 4018.5098 20514.5992 14518.0528 252.5523 -203051.2928 2337.2071 0.0000 0.0000 51849.1231 -109561.2484 297.9776 -161410.3715 -109213.3342 298.6937 -175.7755 -149.0080 762448.6315 8.6383 8.9136 PRESSURE: 2811200 -6.99377 -135.151 -24.0426 -135.151 250.428 116.523 -24.0432 116.524 350.13 GPRESSURE: 2811200 20.4565 -136.694 112.352 -155.342 296.935 127.78 -126.007 -86.8323 337.412 PRESSAVG: 2811200 -26.1114 -17.7234 -66.2001 -17.7234 42.6874 51.184 -66.2 51.184 -17.2026 GPRESSAVG: 2811200 -27.361 -15.4357 -66.285 -17.9976 42.602 51.2196 -65.8652 48.1824 -16.4498 TIMING: 2811200 CPU: 8878.02, 0.00313932/step Wall: 8878.02, 0.00313932/step, 1.9087 hours remaining, 233.859375 MB of memory in use. ENERGY: 2811200 3913.3280 20550.5189 14513.9624 244.3706 -203352.0794 2747.2668 0.0000 0.0000 51928.9701 -109453.6626 298.4365 -161382.6327 -109086.4373 299.0702 197.8549 218.2677 761282.1917 -0.2089 -0.4029 PRESSURE: 2811400 33.9966 221.448 236.533 221.448 -73.3745 -72.8962 236.533 -72.8963 87.7587 GPRESSURE: 2811400 33.7403 258.753 222.662 151.903 47.2333 43.9649 145.439 -68.458 33.6118 PRESSAVG: 2811400 -2.82328 -20.1623 20.075 -20.1623 11.3872 -10.934 20.075 -10.934 -14.7652 GPRESSAVG: 2811400 -2.00904 -21.1364 18.6264 -18.9671 11.0225 -10.0462 19.0256 -10.4782 -15.2475 TIMING: 2811400 CPU: 8878.65, 0.00313909/step Wall: 8878.65, 0.00313909/step, 1.90839 hours remaining, 233.859375 MB of memory in use. ENERGY: 2811400 3995.1962 20420.6210 14523.3402 236.5019 -203487.4993 2706.9841 0.0000 0.0000 52115.7981 -109489.0578 299.5102 -161604.8558 -109118.5883 299.3185 16.1269 38.1951 763200.2770 -2.0671 -2.0780 PRESSURE: 2811600 115.541 205.014 -143.714 205.013 -109.872 -45.0876 -143.714 -45.0875 -34.6795 GPRESSURE: 2811600 201.612 110.435 -135.369 122.214 -191.902 40.9749 -48.3085 -44.7287 42.1051 PRESSAVG: 2811600 -12.5804 18.5675 -25.2595 18.5674 4.79078 -21.99 -25.2595 -21.99 41.8546 GPRESSAVG: 2811600 -12.4452 19.1022 -23.4046 17.058 4.43415 -22.6688 -23.2033 -21.4999 41.4961 TIMING: 2811600 CPU: 8879.28, 0.00312709/step Wall: 8879.28, 0.00312709/step, 1.90093 hours remaining, 233.859375 MB of memory in use. ENERGY: 2811600 4007.5719 20561.4892 14423.7941 227.7800 -203330.3095 2596.7798 0.0000 0.0000 52364.0166 -109148.8780 300.9367 -161512.8946 -108789.6598 299.8563 -9.6702 17.2717 763232.9886 11.3550 11.1617 PRESSURE: 2811800 -164.028 214.454 -17.6 214.454 -368.116 205.423 -17.6 205.424 -198.629 GPRESSURE: 2811800 -158.356 332.411 -69.6791 116.972 -295.135 199.767 -0.975365 282.574 -182.609 PRESSAVG: 2811800 -0.432129 -23.2394 -8.59695 -23.2394 -9.75577 -49.3531 -8.59698 -49.3531 -19.1106 GPRESSAVG: 2811800 0.686741 -23.0773 -8.27737 -22.998 -10.9706 -49.0094 -10.0886 -49.5656 -19.0226 TIMING: 2811800 CPU: 8879.91, 0.00314589/step Wall: 8879.91, 0.00314589/step, 1.91218 hours remaining, 233.859375 MB of memory in use. ENERGY: 2811800 3995.3132 20604.9437 14405.8939 235.8635 -203008.1190 2525.6396 0.0000 0.0000 51988.3898 -109252.0754 298.7780 -161240.4652 -108893.9281 299.9490 -243.5910 -212.0332 764552.3728 -9.7662 -9.7688 PRESSURE: 2812000 -16.0114 149.94 76.822 149.941 129.004 143.316 76.8219 143.317 -232.426 GPRESSURE: 2812000 22.9719 185.674 53.682 81.6286 62.929 113.171 75.1047 16.6327 -134.468 PRESSAVG: 2812000 -52.7768 14.2357 -26.5809 14.2358 15.7615 -20.1628 -26.5809 -20.1628 2.03261 GPRESSAVG: 2812000 -54.1662 14.063 -28.0734 16.2793 16.3725 -20.3685 -26.2267 -21.1673 2.56905 TIMING: 2812000 CPU: 8880.53, 0.00313895/step Wall: 8880.53, 0.00313895/step, 1.90778 hours remaining, 233.859375 MB of memory 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 4085.5605 20525.7034 14409.0651 259.6455 -203123.8799 2546.7920 0.0000 0.0000 52078.6342 -109218.4793 299.2966 -161297.1135 -108857.3905 299.5293 -39.8111 -16.1892 764084.8960 -11.6609 -11.7415 PRESSURE: 2812200 180.433 25.5525 344.334 25.5524 203.342 -13.9875 344.334 -13.9876 319.364 GPRESSURE: 2812200 289 42.0346 343.169 58.5668 273.75 -30.5371 335.518 2.21959 236.824 PRESSAVG: 2812200 -4.07764 15.0935 34.8569 15.0935 19.0148 -63.3364 34.8569 -63.3364 -19.9525 GPRESSAVG: 2812200 -2.9413 12.4331 34.3305 15.2953 18.0442 -60.9586 36.4629 -64.3168 -19.9354 TIMING: 2812200 CPU: 8881.16, 0.00313876/step Wall: 8881.16, 0.00313876/step, 1.90749 hours remaining, 233.859375 MB of memory in use. ENERGY: 2812200 3882.0746 20514.8619 14488.0847 250.3305 -203507.1344 2806.2565 0.0000 0.0000 52207.1596 -109358.3667 300.0353 -161565.5263 -108994.4713 299.5014 234.3798 266.5245 762169.2628 -1.6718 -1.6108 LDB: ============= START OF LOAD BALANCING ============== 8893.7 LDB: ============== END OF LOAD BALANCING =============== 8893.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8893.7 LDB: ============= START OF LOAD BALANCING ============== 8894.01 LDB: Largest compute 7065 load 0.032125 is 16.4% of average load 0.195618 LDB: Average compute 0.004388 is 2.2% of average load 0.195618 LDB: TIME 8894.01 LOAD: AVG 0.195618 MAX 0.219401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 8894.02 LOAD: AVG 0.195618 MAX 0.219401 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: TIME 8894.02 LOAD: AVG 0.195618 MAX 0.215813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: ============== END OF LOAD BALANCING =============== 8894.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8894.02 PRESSURE: 2812400 -77.5632 95.8175 -142.145 95.8175 -3.2932 -75.1342 -142.145 -75.1345 -359.667 GPRESSURE: 2812400 -61.3213 117.046 -148.91 -13.5575 91.8779 -10.6713 -159.08 7.27989 -380.901 PRESSAVG: 2812400 -46.6012 21.0793 6.87865 21.0791 42.9112 -12.6719 6.87857 -12.6719 -0.329569 GPRESSAVG: 2812400 -45.7569 23.0666 7.17593 19.8927 43.5051 -13.7849 4.17294 -9.23588 -1.59536 TIMING: 2812400 CPU: 8881.81, 0.00321305/step Wall: 8881.81, 0.00321305/step, 1.95246 hours remaining, 235.453125 MB of memory in use. ENERGY: 2812400 4002.4907 20475.4095 14451.2076 250.4166 -203041.6521 2398.7616 0.0000 0.0000 52140.7222 -109322.6440 299.6534 -161463.3662 -108968.7931 299.4134 -146.8412 -116.7814 761575.7140 -1.3399 -1.2824 PRESSURE: 2812600 -43.9946 -45.1148 14.6914 -45.1138 -152.471 101.242 14.6909 101.241 22.643 GPRESSURE: 2812600 59.5651 -45.8093 7.95645 -161.648 -102.536 143.093 -38.9157 97.8282 -35.958 PRESSAVG: 2812600 25.4709 53.7635 68.7231 53.7635 -6.07483 -34.1276 68.7231 -34.1277 -26.0502 GPRESSAVG: 2812600 24.0456 53.2203 68.9007 54.7306 -6.35751 -36.1106 69.5649 -35.4222 -24.2424 TIMING: 2812600 CPU: 8882.43, 0.00314192/step Wall: 8882.43, 0.00314192/step, 1.90906 hours remaining, 235.925781 MB of memory in use. ENERGY: 2812600 4081.0891 20450.5335 14462.6169 239.1294 -203351.1430 2775.7445 0.0000 0.0000 51918.9417 -109423.0879 298.3789 -161342.0296 -109054.7772 299.1470 -57.9408 -26.3097 761961.8328 -2.2180 -2.1848 PRESSURE: 2812800 1.39695 3.87305 93.8621 3.87291 -218.918 105.492 93.8605 105.491 -517.341 GPRESSURE: 2812800 11.5315 5.98462 149.758 63.2277 -222.103 133.703 45.6478 131.813 -442.131 PRESSAVG: 2812800 1.52567 6.94716 -20.3817 6.94716 -48.848 19.3473 -20.3818 19.3474 -19.7165 GPRESSAVG: 2812800 0.843058 6.86755 -20.3673 6.4419 -47.8412 20.219 -20.5974 20.1563 -20.2008 TIMING: 2812800 CPU: 8883.06, 0.00313278/step Wall: 8883.06, 0.00313278/step, 1.90334 hours remaining, 235.925781 MB of memory in use. ENERGY: 2812800 3940.3288 20587.7627 14544.5363 263.0466 -203009.3073 2577.5544 0.0000 0.0000 51822.8228 -109273.2557 297.8265 -161096.0785 -108915.4565 299.3918 -244.9542 -217.5676 761570.3633 -22.3463 -22.3997 PRESSURE: 2813000 157.277 -251.702 -51.8865 -251.701 13.5235 -333.78 -51.8874 -333.78 142.905 GPRESSURE: 2813000 276.06 -230.426 -153.851 -249.917 34.5599 -319.158 148.666 -405.883 99.2292 PRESSAVG: 2813000 14.339 -33.6886 2.23957 -33.6886 -19.8563 -20.1416 2.23948 -20.1416 0.921089 GPRESSAVG: 2813000 16.2589 -31.9709 0.707693 -36.0805 -20.7227 -18.8966 4.47022 -19.7055 0.101036 TIMING: 2813000 CPU: 8883.69, 0.00314324/step Wall: 8883.69, 0.00314324/step, 1.90952 hours remaining, 235.925781 MB of memory in use. ENERGY: 2813000 4012.3736 20573.7009 14510.4845 242.3949 -203340.4761 2649.8342 0.0000 0.0000 51877.5797 -109474.1083 298.1412 -161351.6879 -109110.5236 299.2454 104.5683 136.6164 759480.4199 -1.5321 -1.4542 PRESSURE: 2813200 133.813 -90.6839 -77.0915 -90.6837 336.497 -160.635 -77.0911 -160.635 393.651 GPRESSURE: 2813200 125.139 22.4137 -98.9183 -37.7337 368.958 -136.985 -60.2302 -334.023 457.055 PRESSAVG: 2813200 15.6756 -11.041 -8.54064 -11.0411 -1.70279 -51.6295 -8.54071 -51.6294 4.83678 GPRESSAVG: 2813200 15.2204 -12.9999 -6.05778 -8.27715 -0.807817 -52.7467 -11.2288 -52.2977 5.13493 TIMING: 2813200 CPU: 8884.32, 0.00315008/step Wall: 8884.32, 0.00315008/step, 1.9135 hours remaining, 235.925781 MB of memory in use. ENERGY: 2813200 3936.4558 20348.9032 14599.7554 244.0072 -203457.2077 2738.1122 0.0000 0.0000 52043.0056 -109546.9683 299.0919 -161589.9740 -109183.7603 298.9275 287.9873 317.0503 760284.8514 6.2699 6.5158 PRESSURE: 2813400 -191.728 -121.135 -128.362 -121.135 -221.805 323.596 -128.362 323.597 240.877 GPRESSURE: 2813400 -104.115 -87.0559 -71.2728 -206.616 -217.786 347.907 -182.748 119.561 226.115 PRESSAVG: 2813400 28.3656 50.6125 -31.8276 50.6125 -37.9562 -17.9889 -31.8275 -17.9888 22.9495 GPRESSAVG: 2813400 28.0319 52.192 -32.9043 48.8471 -37.8737 -16.9344 -30.8941 -18.1904 22.7286 TIMING: 2813400 CPU: 8884.95, 0.00315536/step Wall: 8884.95, 0.00315536/step, 1.91653 hours remaining, 235.925781 MB of memory in use. ENERGY: 2813400 4002.5721 20462.7106 14554.0872 247.3749 -203294.0872 2505.2512 0.0000 0.0000 52186.6490 -109335.4421 299.9174 -161522.0911 -108975.1047 299.1381 -57.5520 -31.9287 761616.0835 4.4529 4.2956 PRESSURE: 2813600 240.673 -125.562 126.962 -125.563 308.633 -136.606 126.962 -136.606 368.796 GPRESSURE: 2813600 252.391 -123.37 116.515 -183.2 381.391 -169.456 70.1108 -79.875 383.582 PRESSAVG: 2813600 60.6659 -66.4488 -45.4866 -66.4488 -22.1623 56.6902 -45.4866 56.6902 20.533 GPRESSAVG: 2813600 61.2414 -67.6345 -45.6568 -65.8258 -22.0392 54.2134 -46.585 56.6909 20.2358 TIMING: 2813600 CPU: 8885.58, 0.00313264/step Wall: 8885.58, 0.00313264/step, 1.90256 hours remaining, 235.925781 MB of memory in use. ENERGY: 2813600 3909.4846 20450.0165 14523.7337 235.1767 -203187.4850 2805.2157 0.0000 0.0000 51754.6683 -109509.1896 297.4348 -161263.8578 -109150.2969 298.5877 306.0338 339.1212 760922.4364 19.6788 19.8126 PRESSURE: 2813800 140.76 -155.516 -280.005 -155.516 125.358 -206.637 -280.005 -206.637 94.7923 GPRESSURE: 2813800 236.034 -119.473 -204.279 -142.522 95.6995 -222.231 -108.985 -87.1809 119.647 PRESSAVG: 2813800 41.3529 -35.5756 21.0981 -35.5756 -31.5331 4.62162 21.0981 4.62159 -9.08816 GPRESSAVG: 2813800 42.1518 -36.3487 20.0076 -33.6923 -32.4618 5.46853 22.3933 5.81332 -8.94976 TIMING: 2813800 CPU: 8886.21, 0.00314468/step Wall: 8886.21, 0.00314468/step, 1.90969 hours remaining, 235.925781 MB of memory in use. ENERGY: 2813800 3934.6702 20496.2643 14551.5185 249.1075 -203659.3732 2884.1430 0.0000 0.0000 52153.4106 -109390.2591 299.7264 -161543.6697 -109035.8729 298.5235 120.3035 150.4601 761204.6036 0.2439 0.2467 PRESSURE: 2814000 125.994 1.0757 21.4029 1.07537 191.135 -71.7151 21.4026 -71.7154 44.1714 GPRESSURE: 2814000 144.945 3.33003 -28.7365 -0.0195589 231.614 -47.3119 152.27 -94.7101 68.2466 PRESSAVG: 2814000 0.537932 -46.9296 -1.46943 -46.9296 -13.8452 -11.2547 -1.46943 -11.2548 5.18756 GPRESSAVG: 2814000 0.52425 -44.5547 0.380036 -48.5452 -13.8243 -9.58119 -1.23247 -12.8153 5.23516 TIMING: 2814000 CPU: 8886.83, 0.0031469/step Wall: 8886.83, 0.0031469/step, 1.91087 hours remaining, 235.925781 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: 2814000 4013.3681 20607.8117 14490.9098 262.6189 -203623.2585 3166.2360 0.0000 0.0000 51772.8707 -109309.4433 297.5394 -161082.3140 -108952.6985 298.8281 120.4335 148.2685 761584.7637 -2.7066 -2.6883 PRESSURE: 2814200 72.8961 67.2943 -8.42254 67.2951 -308.435 -65.5692 -8.42262 -65.5698 -243.973 GPRESSURE: 2814200 47.7713 -4.15875 10.2897 11.8067 -151.432 -103.471 42.4558 -127.918 -284.328 PRESSAVG: 2814200 -58.0637 -21.9337 4.42813 -21.9337 65.2888 -3.61378 4.42817 -3.61377 3.19728 GPRESSAVG: 2814200 -59.8731 -24.9493 4.75894 -18.8112 66.4163 -6.03148 5.26047 -3.69011 3.92465 TIMING: 2814200 CPU: 8887.46, 0.00314614/step Wall: 8887.46, 0.00314614/step, 1.91023 hours remaining, 235.925781 MB of memory in use. ENERGY: 2814200 4022.4404 20521.5522 14456.2252 247.2854 -203444.7661 2718.9402 0.0000 0.0000 52325.9320 -109152.3906 300.7179 -161478.3226 -108794.1714 299.5210 -159.8374 -129.3297 763042.1839 3.4741 3.4893 PRESSURE: 2814400 -6.50419 44.7259 61.421 44.7268 37.4229 -282.53 61.4201 -282.529 188.364 GPRESSURE: 2814400 -37.4057 40.0661 27.3998 29.1885 131.784 -288.608 38.9962 -146.553 207.235 PRESSAVG: 2814400 -46.3649 5.81416 38.5398 5.81422 51.572 9.23634 38.5398 9.23628 -15.4068 GPRESSAVG: 2814400 -46.8283 8.48683 36.5587 3.32488 51.3606 10.1363 38.8729 9.77647 -14.9924 TIMING: 2814400 CPU: 8888.1, 0.00316497/step Wall: 8888.1, 0.00316497/step, 1.92149 hours remaining, 235.925781 MB of memory in use. ENERGY: 2814400 3992.4016 20593.9834 14531.3037 255.3961 -202880.7030 2507.3578 0.0000 0.0000 51861.0088 -109139.2517 298.0459 -161000.2605 -108786.5790 299.5606 73.0941 100.5379 762098.1315 -3.3999 -3.4867 PRESSURE: 2814600 -76.9597 -168.413 326.936 -168.412 220.157 190.964 326.937 190.965 -121.066 GPRESSURE: 2814600 27.2351 -199.506 400.598 -266.74 147.583 202.562 263.334 47.1354 -70.2637 PRESSAVG: 2814600 14.5696 -37.3304 -8.00368 -37.3304 15.3585 -30.1933 -8.00364 -30.1933 43.2261 GPRESSAVG: 2814600 15.6518 -39.1165 -6.75853 -37.5214 14.5563 -31.1971 -9.66433 -30.5224 43.0712 TIMING: 2814600 CPU: 8888.73, 0.00316707/step Wall: 8888.73, 0.00316707/step, 1.92259 hours remaining, 235.992188 MB of memory in use. ENERGY: 2814600 4044.9767 20666.4320 14471.9258 198.7642 -203414.9268 2849.2496 0.0000 0.0000 52016.3430 -109167.2355 298.9386 -161183.5785 -108806.5610 299.7953 7.3773 34.8514 761916.7251 24.3848 24.4264 PRESSURE: 2814800 151.394 218.382 -12.2162 218.382 239.863 -262.487 -12.2165 -262.486 -69.0167 GPRESSURE: 2814800 194.144 300.114 -26.7912 278.633 301.811 -240.498 79.829 -303.218 -88.1823 PRESSAVG: 2814800 -26.2079 28.4914 4.93302 28.4914 26.8369 -31.218 4.93302 -31.218 20.9593 GPRESSAVG: 2814800 -25.5705 27.9717 3.90423 29.7765 27.2217 -30.22 5.07056 -31.0441 20.0244 TIMING: 2814800 CPU: 8889.36, 0.00316357/step Wall: 8889.36, 0.00316357/step, 1.92029 hours remaining, 235.992188 MB of memory in use. ENERGY: 2814800 4060.0387 20462.5519 14500.3639 236.7344 -203539.8339 3115.8679 0.0000 0.0000 52046.9001 -109117.3768 299.1143 -161164.2770 -108750.5430 299.7690 107.4133 135.9242 761630.2162 7.1961 7.2252 PRESSURE: 2815000 143.103 -41.3253 344.662 -41.3251 23.4452 -202.796 344.661 -202.797 178.591 GPRESSURE: 2815000 121.346 -109.609 247.526 -15.0647 92.579 -191.47 409.584 -324.509 219.522 PRESSAVG: 2815000 -0.560294 3.6245 16.9198 3.62449 -4.31256 -29.5625 16.9198 -29.5624 7.59141 GPRESSAVG: 2815000 -1.05709 5.60758 16.5355 2.81181 -4.55051 -28.2895 19.0843 -30.921 8.29057 TIMING: 2815000 CPU: 8890, 0.0031789/step Wall: 8890, 0.0031789/step, 1.92942 hours remaining, 235.992188 MB of memory in use. ENERGY: 2815000 3979.2181 20406.8956 14577.1338 242.9935 -202735.9477 2421.0083 0.0000 0.0000 51893.7573 -109214.9410 298.2341 -161108.6983 -108856.2515 299.3097 115.0462 144.4822 763417.0687 0.9062 0.8943 PRESSURE: 2815200 52.3366 54.0252 -113.435 54.0251 92.8039 134.157 -113.435 134.156 57.9413 GPRESSURE: 2815200 56.846 163.722 -156.142 -23.4687 139.884 68.7394 -3.23153 223.459 84.7125 PRESSAVG: 2815200 -25.021 5.92718 17.8927 5.92716 -2.59591 3.23733 17.8927 3.23744 5.84424 GPRESSAVG: 2815200 -24.1002 4.02792 17.7988 5.63562 -2.40714 2.08127 17.041 2.66451 5.0593 TIMING: 2815200 CPU: 8890.63, 0.00315845/step Wall: 8890.63, 0.00315845/step, 1.91683 hours remaining, 235.992188 MB of memory in use. ENERGY: 2815200 3966.6287 20389.6656 14485.8251 245.8246 -203353.3349 2843.3346 0.0000 0.0000 52162.2022 -109259.8540 299.7769 -161422.0562 -108890.3887 299.3709 67.6939 93.8143 764970.6650 -7.2576 -7.1493 PRESSURE: 2815400 107.221 -89.963 14.169 -89.9629 -15.8535 267.056 14.1697 267.056 -70.5029 GPRESSURE: 2815400 125.507 -98.1755 98.9491 -76.5056 -27.6626 205.644 28.8151 166.39 -25.9586 PRESSAVG: 2815400 4.13775 31.831 -38.1859 31.831 -26.8559 52.513 -38.1857 52.5129 -17.386 GPRESSAVG: 2815400 3.48624 32.9471 -38.3196 31.2524 -27.5458 52.6947 -39.5369 54.3452 -16.8544 TIMING: 2815400 CPU: 8891.26, 0.00313675/step Wall: 8891.26, 0.00313675/step, 1.90349 hours remaining, 235.992188 MB of memory in use. ENERGY: 2815400 4054.0147 20602.9242 14513.4880 259.1637 -203188.3963 2770.2484 0.0000 0.0000 51787.9742 -109200.5831 297.6262 -160988.5574 -108853.6349 299.1829 6.9547 23.9621 763694.2841 -13.3680 -13.6380 PRESSURE: 2815600 -79.4298 -0.0932344 37.5329 -0.0935238 -219.85 141.241 37.5321 141.24 213.623 GPRESSURE: 2815600 -129.436 16.5605 23.0181 -86.794 -123.274 80.9222 -65.1201 78.6405 256.53 PRESSAVG: 2815600 -47.0599 16.9918 7.56674 16.9919 33.523 31.5197 7.56676 31.5198 -4.89179 GPRESSAVG: 2815600 -46.7179 16.7337 8.7561 17.9783 33.1276 31.1521 6.44644 30.9229 -4.53031 TIMING: 2815600 CPU: 8891.89, 0.00315163/step Wall: 8891.89, 0.00315163/step, 1.91234 hours remaining, 235.992188 MB of memory in use. ENERGY: 2815600 4035.2648 20449.0547 14457.8830 243.2739 -202981.4694 2764.2765 0.0000 0.0000 52107.1193 -108924.5974 299.4603 -161031.7167 -108547.3526 299.2473 -28.5524 1.2734 764413.4726 -6.1429 -6.0402 PRESSURE: 2815800 -51.497 226.718 -144.217 226.719 170.884 -17.5926 -144.216 -17.5942 87.0647 GPRESSURE: 2815800 -61.6073 213.433 -187.909 129.551 158.87 61.6594 -14.7357 -29.8783 191.316 PRESSAVG: 2815800 48.2438 -20.1979 15.1475 -20.198 -49.2504 6.16719 15.1475 6.16722 3.9371 GPRESSAVG: 2815800 46.9794 -21.9804 15.3092 -18.8801 -47.8349 7.96788 14.9268 5.03266 3.82715 TIMING: 2815800 CPU: 8892.52, 0.00314836/step Wall: 8892.52, 0.00314836/step, 1.91018 hours remaining, 235.992188 MB of memory in use. ENERGY: 2815800 3932.0057 20418.8974 14475.6228 222.0710 -203074.4569 2705.7149 0.0000 0.0000 52318.6031 -109001.5421 300.6757 -161320.1452 -108638.9867 299.6992 68.8173 96.1931 763515.1620 0.9768 0.9905 PRESSURE: 2816000 -14.786 -48.511 54.7705 -48.5115 -100.209 -128.77 54.7705 -128.77 -445.197 GPRESSURE: 2816000 8.99227 -49.525 21.558 69.2615 -41.772 -65.0453 197.941 -82.3121 -457.803 PRESSAVG: 2816000 77.4141 25.6691 -46.488 25.6691 -58.5645 -11.0044 -46.488 -11.0043 -13.4687 GPRESSAVG: 2816000 78.3794 26.5791 -44.9095 23.7681 -58.5657 -12.6193 -44.7071 -9.22882 -13.7844 TIMING: 2816000 CPU: 8893.15, 0.0031663/step Wall: 8893.15, 0.0031663/step, 1.92089 hours remaining, 235.992188 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: 2816000 4057.5299 20525.2616 14527.9425 243.0498 -203347.3456 2697.8811 0.0000 0.0000 52305.8811 -108989.7995 300.6026 -161295.6807 -108628.4074 300.0746 -186.7305 -163.5274 763555.4180 1.7937 2.0098 PRESSURE: 2816200 -311.37 -8.52315 22.7271 -8.52316 -275.428 -106.827 22.7276 -106.827 60.84 GPRESSURE: 2816200 -290.673 47.7513 -37.9981 34.6607 -234.974 -95.5454 17.3497 -127.781 69.8264 PRESSAVG: 2816200 64.2852 -51.8154 -3.97853 -51.8154 -19.434 -35.6598 -3.9785 -35.6598 0.628275 GPRESSAVG: 2816200 64.3517 -52.0358 -6.54846 -50.1358 -20.2107 -35.8461 -3.66758 -33.7979 1.47803 TIMING: 2816200 CPU: 8893.78, 0.00315499/step Wall: 8893.78, 0.00315499/step, 1.91385 hours remaining, 235.992188 MB of memory in use. ENERGY: 2816200 3969.7449 20549.0461 14485.7220 235.5911 -203021.7698 2517.2631 0.0000 0.0000 52200.0187 -109064.3838 299.9942 -161264.4025 -108709.1974 299.7913 -175.3193 -151.9402 764913.5261 15.1598 15.2064 LDB: ============= START OF LOAD BALANCING ============== 8906.32 LDB: ============== END OF LOAD BALANCING =============== 8906.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8906.32 LDB: ============= START OF LOAD BALANCING ============== 8906.64 LDB: Largest compute 7024 load 0.031986 is 16.4% of average load 0.195446 LDB: Average compute 0.004392 is 2.2% of average load 0.195446 LDB: TIME 8906.64 LOAD: AVG 0.195446 MAX 0.21352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 8906.64 LOAD: AVG 0.195446 MAX 0.21352 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 8906.64 LOAD: AVG 0.195446 MAX 0.21352 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 8906.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8906.65 PRESSURE: 2816400 40.9126 -12.9304 12.9888 -12.9301 19.2972 53.582 12.9887 53.5811 -114.653 GPRESSURE: 2816400 85.6278 32.9832 18.2554 22.4937 -11.5909 54.9662 -15.4859 18.6868 -53.7958 PRESSAVG: 2816400 -50.8698 -45.7065 -45.0894 -45.7066 62.229 18.2324 -45.0893 18.2325 -6.94637 GPRESSAVG: 2816400 -49.9733 -45.2538 -45.3038 -47.2665 62.2795 18.8376 -46.1992 17.4438 -8.1318 TIMING: 2816400 CPU: 8894.43, 0.00323802/step Wall: 8894.43, 0.00323802/step, 1.96404 hours remaining, 235.140625 MB of memory in use. ENERGY: 2816400 3898.3158 20604.3808 14526.5153 253.6872 -203211.3301 2753.2122 0.0000 0.0000 52234.7044 -108940.5144 300.1936 -161175.2188 -108581.5649 299.5111 -18.1478 6.7470 761982.4819 1.4710 1.3915 PRESSURE: 2816600 -184.777 60.9611 79.777 60.9609 -25.1563 171.147 79.7765 171.148 -316.589 GPRESSURE: 2816600 -218.617 141.818 156.043 49.0824 51.0914 165.1 102.229 132.949 -254.076 PRESSAVG: 2816600 8.19644 13.4736 -34.8502 13.4735 10.6331 38.5088 -34.8502 38.5087 -1.52597 GPRESSAVG: 2816600 7.99583 13.1697 -34.4937 15.9668 10.0729 39.5345 -34.0157 37.0799 -0.175261 TIMING: 2816600 CPU: 8895.07, 0.00318057/step Wall: 8895.07, 0.00318057/step, 1.92902 hours remaining, 235.140625 MB of memory in use. ENERGY: 2816600 4025.9871 20536.2548 14492.1229 259.5755 -203623.5623 2860.8089 0.0000 0.0000 52161.6253 -109287.1878 299.7736 -161448.8131 -108928.6514 299.7529 -175.5076 -140.5336 761031.8670 5.7679 5.9645 PRESSURE: 2816800 -271.15 -104.695 4.57852 -104.693 -63.0354 8.80462 4.5781 8.80481 -197.186 GPRESSURE: 2816800 -232.911 -36.7639 16.055 -190.221 -26.7521 -70.5307 -180.128 0.933367 -195.726 PRESSAVG: 2816800 -34.7056 -17.6192 -29.4588 -17.6192 -0.514355 -0.137826 -29.4589 -0.13785 34.1594 GPRESSAVG: 2816800 -36.5298 -14.0719 -29.4383 -20.6491 1.99437 -1.40947 -29.3558 -0.197828 33.7256 TIMING: 2816800 CPU: 8895.7, 0.00318803/step Wall: 8895.7, 0.00318803/step, 1.93336 hours remaining, 235.140625 MB of memory in use. ENERGY: 2816800 4037.2268 20586.5847 14430.3001 249.2599 -203166.0058 2590.6430 0.0000 0.0000 52004.2387 -109267.7527 298.8691 -161271.9914 -108906.8141 299.4723 -177.1239 -151.7963 762161.5404 -0.3535 -0.2699 PRESSURE: 2817000 39.7483 55.9826 -174.753 55.9828 -174.593 -112.575 -174.753 -112.575 -803.721 GPRESSURE: 2817000 82.7871 49.09 -177.669 17.8832 -127.96 -135.129 -28.2436 -62.4144 -816.187 PRESSAVG: 2817000 -14.189 -18.0023 -63.6129 -18.0023 -49.658 34.587 -63.6129 34.587 -6.55702 GPRESSAVG: 2817000 -11.8832 -22.1835 -64.2221 -16.2753 -51.1461 34.9094 -64.6051 35.2813 -7.5944 TIMING: 2817000 CPU: 8896.34, 0.00318096/step Wall: 8896.34, 0.00318096/step, 1.9289 hours remaining, 235.140625 MB of memory in use. ENERGY: 2817000 4063.4661 20509.9764 14502.3887 250.1397 -203030.2295 2460.8091 0.0000 0.0000 52095.8859 -109147.5637 299.3958 -161243.4496 -108797.4558 299.3480 -312.8554 -287.1202 762512.1502 -23.4680 -23.5413 PRESSURE: 2817200 89.0598 155.551 107.027 155.551 -224.646 52.4432 107.027 52.4436 -122.358 GPRESSURE: 2817200 57.7401 7.96495 126.266 98.6124 -196.266 -13.6797 129.01 30.3007 -33.9391 PRESSAVG: 2817200 19.5338 -36.8768 -41.5318 -36.8768 -19.7302 -6.52054 -41.5318 -6.52057 -12.1809 GPRESSAVG: 2817200 19.2966 -36.8517 -40.968 -35.9671 -19.9747 -7.12325 -41.2596 -5.96618 -11.8161 TIMING: 2817200 CPU: 8896.98, 0.00319749/step Wall: 8896.98, 0.00319749/step, 1.93875 hours remaining, 235.140625 MB of memory in use. ENERGY: 2817200 3965.6286 20647.1591 14417.2652 241.1937 -203138.4081 2564.7492 0.0000 0.0000 52107.4141 -109194.9982 299.4620 -161302.4123 -108828.7569 299.4931 -85.9814 -57.4883 762933.4729 -4.1257 -4.1647 PRESSURE: 2817400 -326.422 61.0161 43.4182 61.0159 -329.212 -78.2765 43.4197 -78.2763 -91.5251 GPRESSURE: 2817400 -234.362 42.0769 90.5755 48.2082 -398.855 -96.7695 60.9028 -19.2399 -36.3279 PRESSAVG: 2817400 4.0829 20.3344 10.3479 20.3345 12.8219 -25.116 10.3479 -25.1161 25.204 GPRESSAVG: 2817400 3.90418 21.6117 10.9757 20.412 12.6686 -24.3374 9.56276 -25.8068 25.4159 TIMING: 2817400 CPU: 8897.61, 0.00317022/step Wall: 8897.61, 0.00317022/step, 1.92203 hours remaining, 235.140625 MB of memory in use. ENERGY: 2817400 4106.9673 20848.5162 14459.5858 235.6705 -203404.6595 2544.0355 0.0000 0.0000 52195.6435 -109014.2407 299.9691 -161209.8842 -108664.7952 299.9333 -249.0531 -223.1816 762681.9812 14.0363 13.9962 PRESSURE: 2817600 136.282 -40.2293 -16.6481 -40.2299 -93.378 -161.929 -16.6478 -161.929 -126.06 GPRESSURE: 2817600 285.546 -78.9446 -4.15137 -29.2347 -113.825 -265.65 74.2149 -234.683 -174.079 PRESSAVG: 2817600 -16.1333 -21.7584 2.8017 -21.7584 10.4684 -35.3858 2.80167 -35.3858 11.3245 GPRESSAVG: 2817600 -15.8132 -22.6939 2.39015 -22.5919 10.7989 -34.5063 2.45278 -37.8641 11.0432 TIMING: 2817600 CPU: 8898.25, 0.00317648/step Wall: 8898.25, 0.00317648/step, 1.92565 hours remaining, 235.140625 MB of memory in use. ENERGY: 2817600 3957.1821 20751.0348 14545.0479 263.8027 -203583.9193 2848.7562 0.0000 0.0000 52201.1163 -109016.9795 300.0005 -161218.0957 -108649.0340 300.0527 -27.7188 -0.7861 761610.0332 1.8865 2.0096 PRESSURE: 2817800 -176.205 5.59484 4.87582 5.59462 119.196 26.3217 4.87609 26.3216 -156.811 GPRESSURE: 2817800 -28.827 -11.3345 -34.5937 -118.615 51.8795 73.344 105.662 -31.8424 -170.293 PRESSAVG: 2817800 -14.2411 16.3016 28.0204 16.3017 3.03886 -18.2195 28.0204 -18.2195 -23.0302 GPRESSAVG: 2817800 -13.2145 19.5296 27.2416 15.3233 2.39667 -18.4949 28.2408 -17.2457 -23.4161 TIMING: 2817800 CPU: 8898.88, 0.00316065/step Wall: 8898.88, 0.00316065/step, 1.91588 hours remaining, 235.140625 MB of memory in use. ENERGY: 2817800 3991.9177 20745.1492 14513.0515 249.1679 -202989.8655 2480.3956 0.0000 0.0000 52201.7080 -108808.4756 300.0039 -161010.1836 -108452.9665 300.3084 -71.2735 -49.0800 762760.8030 -11.4108 -11.4113 PRESSURE: 2818000 -149.372 -86.5151 -19.5295 -86.5155 -10.2799 -21.1195 -19.5286 -21.1186 83.1478 GPRESSURE: 2818000 -126.247 -171.816 37.7657 -106.742 -10.3105 -32.4764 42.7513 38.2669 151.88 PRESSAVG: 2818000 19.8626 -57.5562 -56.5401 -57.5563 -13.2111 3.88828 -56.5402 3.88819 13.8778 GPRESSAVG: 2818000 19.2723 -60.3302 -54.0189 -57.0283 -13.2968 1.46065 -55.0953 6.13802 14.7249 TIMING: 2818000 CPU: 8899.52, 0.0031743/step Wall: 8899.52, 0.0031743/step, 1.92398 hours remaining, 235.140625 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: 2818000 3905.6898 20530.1174 14522.4154 241.2361 -203460.2545 2895.9364 0.0000 0.0000 52282.9462 -109081.9132 300.4708 -161364.8594 -108709.3524 300.5921 -25.5013 5.1076 762334.9749 6.8431 6.9001 PRESSURE: 2818200 -5.30453 172.037 -2.81588 172.038 -67.5031 -211.382 -2.81606 -211.382 378.178 GPRESSURE: 2818200 -26.2232 175.189 32.1892 141.181 42.6036 -147.608 79.7345 -102.285 365.498 PRESSAVG: 2818200 16.3817 -17.4955 -11.1578 -17.4955 12.9017 19.575 -11.1578 19.575 4.52722 GPRESSAVG: 2818200 16.1098 -17.0574 -12.3285 -18.7476 13.4066 21.2423 -12.9582 19.2605 4.7169 TIMING: 2818200 CPU: 8900.16, 0.00319844/step Wall: 8900.16, 0.00319844/step, 1.93843 hours remaining, 235.140625 MB of memory in use. ENERGY: 2818200 4011.5008 20497.6166 14452.3296 241.3510 -202937.5172 2726.0632 0.0000 0.0000 51821.5710 -109187.0849 297.8193 -161008.6559 -108821.8978 299.1982 101.7902 127.2926 762576.1114 11.2702 11.4111 PRESSURE: 2818400 178.26 -168.757 33.887 -168.757 -283.872 90.2672 33.8874 90.2666 175.262 GPRESSURE: 2818400 239.094 -71.316 144.74 -75.627 -233.857 17.5732 -36.7651 -17.0749 153.231 PRESSAVG: 2818400 -1.72258 1.45946 -24.1304 1.45941 -22.724 18.2595 -24.1304 18.2595 15.1093 GPRESSAVG: 2818400 -0.566103 1.90377 -24.8559 4.01174 -23.4725 18.8993 -23.6489 16.7387 14.9665 TIMING: 2818400 CPU: 8900.79, 0.00318951/step Wall: 8900.79, 0.00318951/step, 1.93284 hours remaining, 235.140625 MB of memory in use. ENERGY: 2818400 3972.0759 20503.5806 14483.1966 252.8161 -203000.8168 2867.8150 0.0000 0.0000 51891.4558 -109029.8768 298.2209 -160921.3327 -108667.4266 299.8774 23.2163 52.8227 763494.4777 -3.1124 -3.0240 PRESSURE: 2818600 195.517 26.4303 -80.0964 26.4304 -56.6037 -18.9123 -80.096 -18.9127 -337.113 GPRESSURE: 2818600 104.135 -117.666 -124.488 28.3047 84.3951 -116.381 -77.5376 127.245 -315.195 PRESSAVG: 2818600 12.3789 -12.6048 -32.9136 -12.6049 -15.1304 0.0643313 -32.9136 0.0642818 -2.0288 GPRESSAVG: 2818600 9.81008 -13.8397 -32.8951 -13.1768 -12.2653 -0.561241 -34.8238 2.50538 -2.00143 TIMING: 2818600 CPU: 8901.43, 0.00317079/step Wall: 8901.43, 0.00317079/step, 1.92132 hours remaining, 235.140625 MB of memory in use. ENERGY: 2818600 3978.8640 20360.2216 14556.0028 255.7096 -203328.9072 2737.7637 0.0000 0.0000 52406.1773 -109034.1681 301.1790 -161440.3454 -108682.4356 299.8409 -66.0666 -42.2216 762427.5883 -1.5934 -1.4856 PRESSURE: 2818800 -629.588 -95.681 360.016 -95.6805 -456.945 -176.353 360.016 -176.353 -326.712 GPRESSURE: 2818800 -516.502 -66.3671 298.431 -126.998 -459.274 -243.298 254.12 -200.455 -361.422 PRESSAVG: 2818800 -73.8469 5.22309 -27.4214 5.2231 107.388 -4.24653 -27.4215 -4.24662 2.68217 GPRESSAVG: 2818800 -73.0028 7.50455 -25.9055 3.15944 105.75 -4.11072 -25.9225 -7.04121 3.6363 TIMING: 2818800 CPU: 8902.06, 0.00316385/step Wall: 8902.06, 0.00316385/step, 1.91694 hours remaining, 235.140625 MB of memory in use. ENERGY: 2818800 4063.9378 20735.0013 14459.9433 235.6747 -202890.6139 2230.0051 0.0000 0.0000 52260.9407 -108905.1110 300.3443 -161166.0517 -108551.1505 300.4938 -471.0820 -445.7328 764245.2472 12.0743 12.1278 PRESSURE: 2819000 -214.688 64.381 3.92461 64.3815 17.7877 -11.1478 3.92425 -11.149 322.609 GPRESSURE: 2819000 -163.188 -21.6636 154.163 118.565 61.5233 -76.7831 -20.1912 -168.169 314.447 PRESSAVG: 2819000 -2.03708 30.1897 -21.207 30.1897 -21.0519 -11.8739 -21.207 -11.874 -27.6861 GPRESSAVG: 2819000 -1.60917 29.6186 -21.5664 31.1491 -20.0486 -14.2976 -21.4678 -10.8101 -28.6914 TIMING: 2819000 CPU: 8902.7, 0.00318493/step Wall: 8902.7, 0.00318493/step, 1.92953 hours remaining, 235.140625 MB of memory in use. ENERGY: 2819000 3912.6225 20643.1657 14399.0940 247.1810 -203501.4757 3081.4027 0.0000 0.0000 52254.2510 -108963.7587 300.3059 -161218.0097 -108599.6793 300.4697 41.9028 70.9274 763485.5239 -16.9250 -16.7831 PRESSURE: 2819200 256.723 -22.6094 -247.317 -22.6092 64.9647 158.608 -247.316 158.608 268.397 GPRESSURE: 2819200 306.866 -13.1996 -226.744 1.61819 57.2208 169.061 -216.296 135.62 302.583 PRESSAVG: 2819200 18.6811 27.0995 24.847 27.0994 -23.8314 -65.2969 24.8469 -65.2969 22.2666 GPRESSAVG: 2819200 18.8031 25.2507 24.5497 27.9358 -24.0947 -64.5279 24.5608 -65.1897 22.6499 TIMING: 2819200 CPU: 8903.33, 0.00317949/step Wall: 8903.33, 0.00317949/step, 1.92606 hours remaining, 235.140625 MB of memory in use. ENERGY: 2819200 3979.0845 20514.4993 14467.4194 224.4217 -203345.1930 2942.8255 0.0000 0.0000 52119.9622 -109096.9804 299.5341 -161216.9426 -108736.0744 300.3536 196.6947 222.2234 761120.0769 5.7054 5.7861 PRESSURE: 2819400 -51.7156 35.4022 -19.959 35.4019 -74.228 21.9609 -19.9599 21.962 -184.837 GPRESSURE: 2819400 63.9766 -68.1478 71.7545 -138.812 -67.7566 38.622 71.8218 71.1433 -227.622 PRESSAVG: 2819400 59.6524 -29.0663 8.23317 -29.0663 -49.9642 -30.9606 8.23308 -30.9606 10.1587 GPRESSAVG: 2819400 60.2945 -28.2411 8.84174 -29.4323 -50.156 -27.9215 8.78577 -29.0477 9.90045 TIMING: 2819400 CPU: 8903.96, 0.00315854/step Wall: 8903.96, 0.00315854/step, 1.9132 hours remaining, 235.140625 MB of memory in use. ENERGY: 2819400 4004.4235 20471.8746 14426.2356 226.2256 -203061.1775 2384.0757 0.0000 0.0000 52118.7067 -109429.6359 299.5269 -161548.3426 -109066.3512 299.3859 -103.5935 -77.1339 761743.8596 6.6157 6.6797 PRESSURE: 2819600 208.202 -33.4043 -102.047 -33.4046 312.236 -69.2235 -102.046 -69.224 174.175 GPRESSURE: 2819600 229.856 -52.0792 -102.661 -43.3771 304.204 -86.6738 -171.617 -60.3287 224.132 PRESSAVG: 2819600 16.1112 3.30218 14.1985 3.3021 -43.3531 23.7958 14.1985 23.7958 15.369 GPRESSAVG: 2819600 16.028 3.44119 13.6754 1.52567 -42.3767 20.7809 15.2282 21.7021 14.7443 TIMING: 2819600 CPU: 8904.6, 0.00315566/step Wall: 8904.6, 0.00315566/step, 1.91128 hours remaining, 235.140625 MB of memory in use. ENERGY: 2819600 4074.6631 20548.6237 14497.9742 260.9717 -203184.2389 2438.8986 0.0000 0.0000 52141.1917 -109221.9159 299.6561 -161363.1076 -108869.3239 299.3739 231.5378 252.7307 760754.7180 -3.9576 -3.8681 PRESSURE: 2819800 -267.957 92.266 -33.9272 92.2657 31.0942 152.421 -33.9276 152.422 292.152 GPRESSURE: 2819800 -45.1685 154.527 12.9626 168.663 -7.31132 139.516 -10.625 32.6986 198.716 PRESSAVG: 2819800 26.5568 47.3574 27.4383 47.3575 -15.8006 2.48777 27.4383 2.48772 18.5536 GPRESSAVG: 2819800 26.8962 47.5278 28.5273 49.4973 -16.2022 1.91367 26.8768 3.41301 18.6258 TIMING: 2819800 CPU: 8905.23, 0.00315916/step Wall: 8905.23, 0.00315916/step, 1.91323 hours remaining, 235.140625 MB of memory in use. ENERGY: 2819800 3959.4040 20457.3533 14397.8896 248.9041 -202832.2554 2362.0994 0.0000 0.0000 52287.1257 -109119.4793 300.4948 -161406.6050 -108751.6637 299.6913 18.4298 48.7452 760684.1883 9.7699 9.7733 PRESSURE: 2820000 147.632 -33.7365 57.8848 -33.7358 195.869 -168.358 57.885 -168.359 170.654 GPRESSURE: 2820000 200.954 -44.9579 25.6232 35.0241 278.644 -93.5927 -68.8686 -69.5752 126.049 PRESSAVG: 2820000 68.6142 19.7826 -6.45992 19.7826 -66.6535 -21.7891 -6.45991 -21.789 1.81689 GPRESSAVG: 2820000 67.9152 20.4168 -8.38556 19.1907 -66.1228 -19.8179 -7.76614 -21.7871 1.88232 TIMING: 2820000 CPU: 8905.86, 0.00314339/step Wall: 8905.86, 0.00314339/step, 1.9035 hours remaining, 235.140625 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: 2820000 4039.7489 20345.3840 14425.6981 243.8743 -203537.5726 3068.9810 0.0000 0.0000 52313.2562 -109100.6301 300.6450 -161413.8863 -108735.7733 299.5412 171.3850 201.8822 762128.9022 1.2592 1.2249 PRESSURE: 2820200 411.417 -163.389 17.2886 -163.388 134.819 -62.7378 17.2884 -62.7381 -1.7807 GPRESSURE: 2820200 364.917 -162.899 -32.1857 -297.337 241.831 -178.062 -64.3785 71.022 24.8995 PRESSAVG: 2820200 -32.5483 -35.0132 -14.3416 -35.0132 -22.6911 37.9522 -14.3415 37.9521 3.84812 GPRESSAVG: 2820200 -32.4823 -32.9216 -13.1219 -35.0666 -23.2823 38.0742 -14.4535 38.6288 4.13131 TIMING: 2820200 CPU: 8906.49, 0.00317433/step Wall: 8906.49, 0.00317433/step, 1.92206 hours remaining, 235.140625 MB of memory in use. ENERGY: 2820200 3961.3038 20450.8216 14455.6262 242.8150 -203352.9655 2839.0075 0.0000 0.0000 52216.0424 -109187.3490 300.0863 -161403.3913 -108814.4248 299.3187 181.4849 210.5493 761976.4424 -17.1304 -17.2111 LDB: ============= START OF LOAD BALANCING ============== 8919.03 LDB: ============== END OF LOAD BALANCING =============== 8919.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8919.03 LDB: ============= START OF LOAD BALANCING ============== 8919.35 LDB: Largest compute 7065 load 0.030868 is 15.8% of average load 0.195624 LDB: Average compute 0.004370 is 2.2% of average load 0.195624 LDB: TIME 8919.35 LOAD: AVG 0.195624 MAX 0.213415 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 8919.35 LOAD: AVG 0.195624 MAX 0.213415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: TIME 8919.35 LOAD: AVG 0.195624 MAX 0.213415 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.172 MB LDB: ============== END OF LOAD BALANCING =============== 8919.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8919.36 PRESSURE: 2820400 -124.151 -150.304 -225.191 -150.304 289.669 -79.8774 -225.19 -79.8777 -149.711 GPRESSURE: 2820400 -79.1156 18.2153 -125.285 -170.636 234.227 -35.391 -218.107 -35.3893 -65.2271 PRESSAVG: 2820400 24.4228 -5.54228 -3.28153 -5.54233 -10.93 -25.6352 -3.28155 -25.6352 -7.12514 GPRESSAVG: 2820400 24.6745 -8.17302 -2.84292 -5.54069 -11.652 -26.3825 -1.61732 -26.9581 -6.91271 TIMING: 2820400 CPU: 8907.14, 0.0032636/step Wall: 8907.14, 0.0032636/step, 1.97593 hours remaining, 235.394531 MB of memory in use. ENERGY: 2820400 3918.7252 20494.9380 14383.6567 228.5091 -203210.5418 2856.3197 0.0000 0.0000 52088.4441 -109239.9490 299.3530 -161328.3931 -108883.3862 299.1249 5.2692 29.9616 762161.6666 2.1226 2.0366 PRESSURE: 2820600 247.18 190.241 23.7259 190.241 -459.154 327.185 23.7253 327.185 -200.349 GPRESSURE: 2820600 178.188 126.226 -0.0536903 158.341 -322.16 290.516 148.397 294.212 -171.876 PRESSAVG: 2820600 63.153 4.44308 -14.6599 4.44304 -86.6005 34.3018 -14.6599 34.3018 -6.69188 GPRESSAVG: 2820600 62.7672 5.2039 -16.2876 7.11044 -85.6517 35.6453 -13.9734 35.2093 -6.81308 TIMING: 2820600 CPU: 8907.78, 0.00316814/step Wall: 8907.78, 0.00316814/step, 1.91796 hours remaining, 235.394531 MB of memory in use. ENERGY: 2820600 4061.9878 20477.7295 14505.5838 250.2918 -203163.4144 2658.9106 0.0000 0.0000 52217.9921 -108990.9188 300.0975 -161208.9109 -108622.1922 299.4462 -137.4409 -105.2825 764121.3546 -10.0465 -9.8992 PRESSURE: 2820800 -307.171 91.0121 -109.041 91.0123 -482.114 -135.81 -109.041 -135.811 -230.099 GPRESSURE: 2820800 -230.173 162.392 -112.779 63.3609 -434.493 -196.83 14.9276 -70.9899 -249.613 PRESSAVG: 2820800 -1.94209 -15.6503 15.5708 -15.6503 -19.4842 22.6997 15.5708 22.6996 2.30253 GPRESSAVG: 2820800 -2.68693 -16.1402 15.8375 -17.7512 -18.8555 20.2318 13.6395 23.4584 2.39873 TIMING: 2820800 CPU: 8908.41, 0.00316197/step Wall: 8908.41, 0.00316197/step, 1.91405 hours remaining, 235.394531 MB of memory in use. ENERGY: 2820800 4006.2171 20539.9685 14520.1525 231.0027 -202283.8217 2197.3850 0.0000 0.0000 52246.4046 -108542.6913 300.2608 -160789.0959 -108168.9457 300.2430 -339.7946 -304.7594 761929.7335 -6.3746 -6.3812 PRESSURE: 2821000 179.944 202.815 -176.411 202.815 -166.857 5.37153 -176.411 5.37274 -217.336 GPRESSURE: 2821000 206.454 57.716 -158.226 166.446 -117.819 88.0068 -271.601 -21.9989 -229.952 PRESSAVG: 2821000 3.25954 33.6169 -25.9042 33.6169 -13.3016 26.4511 -25.9042 26.4512 7.07008 GPRESSAVG: 2821000 4.71869 34.5441 -25.6791 31.8534 -13.8063 27.8242 -25.3832 24.0828 6.335 TIMING: 2821000 CPU: 8909.04, 0.00316057/step Wall: 8909.04, 0.00316057/step, 1.91302 hours remaining, 235.394531 MB of memory in use. ENERGY: 2821000 4091.0180 20700.4135 14455.5665 258.6429 -202699.6609 2528.9950 0.0000 0.0000 52075.1779 -108589.8469 299.2768 -160665.0248 -108239.6764 300.9125 -68.0830 -47.1059 763318.1907 -0.9907 -0.9175 PRESSURE: 2821200 -112.172 43.6005 -154.904 43.6007 595.077 70.6116 -154.905 70.6111 104.331 GPRESSURE: 2821200 37.1132 50.5415 -169.603 -114.627 523.314 13.9928 -69.8107 167.49 97.9596 PRESSAVG: 2821200 -37.2023 -23.4865 36.1373 -23.4865 58.8604 6.63409 36.1373 6.6341 -0.00867264 GPRESSAVG: 2821200 -37.0017 -23.4289 35.9878 -23.5888 58.3114 7.70819 34.4647 6.51594 0.621796 TIMING: 2821200 CPU: 8909.67, 0.00316417/step Wall: 8909.67, 0.00316417/step, 1.91503 hours remaining, 235.394531 MB of memory in use. ENERGY: 2821200 4001.1503 20626.5544 14443.3036 221.3523 -203564.5233 2915.5428 0.0000 0.0000 52367.7710 -108988.8488 300.9583 -161356.6199 -108624.6947 300.6006 195.7453 219.4624 760609.4019 7.2165 7.3105 PRESSURE: 2821400 -71.0811 168.776 -35.0282 168.776 -370.783 -201.64 -35.0272 -201.64 -76.396 GPRESSURE: 2821400 19.9672 148.444 -70.1847 158.576 -318.457 -113.433 -121.068 -58.9128 -134.152 PRESSAVG: 2821400 21.5482 9.81787 -71.0663 9.81788 -33.8898 44.3977 -71.0663 44.3977 -22.4154 GPRESSAVG: 2821400 21.7711 11.2083 -71.5747 11.0237 -32.9182 44.4533 -66.6665 45.6525 -23.0818 TIMING: 2821400 CPU: 8910.31, 0.00318625/step Wall: 8910.31, 0.00318625/step, 1.92821 hours remaining, 235.394531 MB of memory in use. ENERGY: 2821400 3999.6133 20493.3221 14416.8055 230.1179 -203014.7890 2351.8410 0.0000 0.0000 52271.5490 -109251.5402 300.4053 -161523.0892 -108877.6323 299.9468 -172.7533 -144.2139 763176.3097 -11.5857 -11.4096 PRESSURE: 2821600 -293.321 166.251 -19.0934 166.252 129.706 269.506 -19.0942 269.506 -29.8576 GPRESSURE: 2821600 -243.85 122.83 19.7271 126.458 86.576 185.558 -20.6222 211.148 15.7034 PRESSAVG: 2821600 -33.4137 -1.80625 -7.39621 -1.80628 24.5144 4.39292 -7.39624 4.3929 7.346 GPRESSAVG: 2821600 -34.2058 -2.13278 -4.14507 -1.18751 24.4084 3.95472 -11.7193 3.27776 8.02146 TIMING: 2821600 CPU: 8910.95, 0.00317036/step Wall: 8910.95, 0.00317036/step, 1.91842 hours remaining, 235.394531 MB of memory in use. ENERGY: 2821600 4012.3227 20621.9795 14508.6886 244.3084 -202939.5461 2333.3336 0.0000 0.0000 51969.2557 -109249.6576 298.6680 -161218.9133 -108890.3090 299.5683 -64.4907 -47.1904 763926.8256 -0.5178 -0.5920 PRESSURE: 2821800 41.3202 -64.0661 -143.723 -64.0657 -150.084 -119.987 -143.724 -119.988 48.1887 GPRESSURE: 2821800 53.8714 -60.7315 -107.023 -119.603 -65.9944 -32.1139 -91.8156 -184.164 48.8197 PRESSAVG: 2821800 -1.30508 -48.7855 -13.3266 -48.7855 32.8461 -14.5641 -13.3266 -14.5642 -7.48985 GPRESSAVG: 2821800 -0.932806 -52.0735 -15.0848 -48.8131 33.1195 -13.0182 -12.0517 -14.6252 -8.46971 TIMING: 2821800 CPU: 8911.58, 0.00317253/step Wall: 8911.58, 0.00317253/step, 1.91956 hours remaining, 235.394531 MB of memory in use. ENERGY: 2821800 3935.7529 20595.0702 14481.2129 255.3707 -203175.2632 2454.3730 0.0000 0.0000 52175.8440 -109277.6395 299.8553 -161453.4835 -108903.9978 299.2494 -20.1918 12.2322 762437.7858 8.0171 7.9057 PRESSURE: 2822000 -230.458 -18.1816 52.1646 -18.1811 -71.4373 -146.747 52.1627 -146.746 -70.7338 GPRESSURE: 2822000 -232.487 -65.85 -8.2974 33.8592 17.1507 -204.01 27.5704 -130.783 -36.8204 PRESSAVG: 2822000 -5.4273 -38.5127 -57.0054 -38.5127 1.02257 -29.6201 -57.0054 -29.6201 8.22384 GPRESSAVG: 2822000 -6.26586 -38.3292 -57.4549 -38.475 2.28366 -31.1629 -56.0782 -28.0937 8.2784 TIMING: 2822000 CPU: 8912.22, 0.00318732/step Wall: 8912.22, 0.00318732/step, 1.92833 hours remaining, 235.394531 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: 2822000 3918.9942 20589.6567 14401.7997 249.7325 -203086.4937 2640.7576 0.0000 0.0000 52020.4956 -109265.0574 298.9625 -161285.5530 -108892.0900 299.6045 -124.2098 -84.0522 764337.3109 1.2730 1.4321 PRESSURE: 2822200 201.313 -213.207 -98.3027 -213.207 106.611 -146.859 -98.302 -146.859 212.014 GPRESSURE: 2822200 274.989 -150.677 -169.299 -200.781 140.04 -174.353 -127.624 -156.418 202.143 PRESSAVG: 2822200 65.0549 -21.2807 -35.0854 -21.2806 -21.6566 4.51416 -35.0854 4.51423 11.5036 GPRESSAVG: 2822200 65.1799 -20.9365 -35.1634 -20.9208 -23.426 5.27838 -35.8561 3.25655 13.1818 TIMING: 2822200 CPU: 8912.86, 0.003187/step Wall: 8912.86, 0.003187/step, 1.92796 hours remaining, 235.394531 MB of memory in use. ENERGY: 2822200 3936.7495 20621.0525 14518.7105 237.1410 -203414.6550 2796.9288 0.0000 0.0000 51982.4541 -109321.6186 298.7439 -161304.0728 -108965.0327 299.2764 173.3125 205.7241 761303.5194 18.3006 18.3119 PRESSURE: 2822400 -186.089 96.2616 64.6363 96.2613 280.713 72.4023 64.6368 72.4018 -346.307 GPRESSURE: 2822400 -60.1757 74.9549 33.3383 -7.95094 177.087 -30.669 22.4398 142.19 -293.608 PRESSAVG: 2822400 -4.40463 -51.7113 12.5289 -51.7113 -29.849 -2.95559 12.5289 -2.95559 -0.672728 GPRESSAVG: 2822400 -4.67489 -49.7134 12.5181 -51.9805 -28.4864 -4.14595 14.3298 -3.33033 -1.26706 TIMING: 2822400 CPU: 8913.49, 0.00318739/step Wall: 8913.49, 0.00318739/step, 1.92802 hours remaining, 235.394531 MB of memory in use. ENERGY: 2822400 3961.8550 20597.0589 14472.5902 238.6555 -202897.5159 2333.7797 0.0000 0.0000 52082.7270 -109210.8497 299.3201 -161293.5767 -108849.2063 299.6536 -83.8945 -58.8990 761917.3800 -11.6421 -11.4761 PRESSURE: 2822600 129.752 -74.092 58.1273 -74.0919 -224.138 56.0803 58.1273 56.0805 97.5241 GPRESSURE: 2822600 150.28 -171.814 -2.32114 -11.2909 -220.999 -24.5545 140.749 5.04659 137.05 PRESSAVG: 2822600 21.1044 -39.5013 8.30355 -39.5013 -29.26 -23.0915 8.30364 -23.0915 14.3837 GPRESSAVG: 2822600 21.7623 -42.9655 7.78076 -38.2062 -30.076 -24.6203 8.09629 -22.389 14.3092 TIMING: 2822600 CPU: 8914.12, 0.00315873/step Wall: 8914.12, 0.00315873/step, 1.91051 hours remaining, 235.394531 MB of memory in use. ENERGY: 2822600 4056.3288 20654.1687 14462.9025 260.1548 -203145.6087 2601.2544 0.0000 0.0000 52334.0407 -108776.7588 300.7645 -161110.7995 -108412.8407 300.2717 1.0463 22.1103 763218.4815 2.0760 1.9985 PRESSURE: 2822800 410.005 -160.276 8.1086 -160.275 -21.7374 -28.7738 8.10811 -28.7738 334.042 GPRESSURE: 2822800 429.056 -64.5788 8.05869 -187.73 36.7287 -60.2518 55.267 -74.4017 345.99 PRESSAVG: 2822800 -6.22074 -39.2804 39.997 -39.2804 19.3148 -67.0694 39.997 -67.0694 4.79213 GPRESSAVG: 2822800 -5.02591 -36.0591 40.11 -40.0052 19.8713 -65.4971 37.6686 -68.2392 3.3774 TIMING: 2822800 CPU: 8914.76, 0.00315903/step Wall: 8914.76, 0.00315903/step, 1.91051 hours remaining, 235.394531 MB of memory in use. ENERGY: 2822800 3944.4911 20746.3483 14401.2906 254.7078 -203404.1754 2850.2134 0.0000 0.0000 52378.5960 -108828.5282 301.0205 -161207.1242 -108461.7814 300.8754 240.7697 270.5914 762144.4579 5.9620 6.0743 PRESSURE: 2823000 -45.2803 -48.842 -28.8549 -48.8421 -57.6483 180.024 -28.8534 180.023 -137.98 GPRESSURE: 2823000 -47.0832 -24.4538 11.9772 -154.68 44.5739 206.263 -8.14773 171.789 -134.832 PRESSAVG: 2823000 23.3467 -4.59398 7.6609 -4.59406 -36.1651 17.6236 7.66099 17.6237 18.6942 GPRESSAVG: 2823000 23.1607 -4.10099 7.00676 -4.92195 -36.2809 16.3893 10.9186 18.757 19.6033 TIMING: 2823000 CPU: 8915.39, 0.00317728/step Wall: 8915.39, 0.00317728/step, 1.92137 hours remaining, 235.394531 MB of memory in use. ENERGY: 2823000 4066.2103 20623.1423 14554.4074 241.5781 -203060.6144 2620.0676 0.0000 0.0000 52357.7160 -108597.4927 300.9005 -160955.2087 -108228.5744 301.0790 -80.3030 -45.7803 762025.8661 1.9586 2.1610 PRESSURE: 2823200 79.2336 44.251 -36.723 44.2518 322.55 -48.0357 -36.7224 -48.0364 89.781 GPRESSURE: 2823200 79.8944 -51.7379 -26.2477 -5.20915 318.238 -68.2003 -76.11 -39.4704 154.163 PRESSAVG: 2823200 3.33327 -6.49374 23.4788 -6.49369 -8.57504 -25.8589 23.4788 -25.8589 -14.6013 GPRESSAVG: 2823200 2.8898 -7.27646 22.4668 -7.57609 -8.56978 -25.1648 23.0278 -26.5587 -13.3391 TIMING: 2823200 CPU: 8916.03, 0.00317962/step Wall: 8916.03, 0.00317962/step, 1.92261 hours remaining, 235.394531 MB of memory in use. ENERGY: 2823200 4013.5744 20605.8165 14483.6923 239.8595 -203219.5499 2648.7687 0.0000 0.0000 52336.8491 -108890.9895 300.7806 -161227.8386 -108524.8255 300.7375 163.8548 184.0985 761572.4204 -6.6144 -6.3397 PRESSURE: 2823400 295.311 -217.844 -91.3305 -217.844 262.568 -71.2786 -91.3306 -71.279 9.21954 GPRESSURE: 2823400 357.426 -260.207 -80.5846 36.8692 269.859 -79.5345 -15.8323 16.236 21.1166 PRESSAVG: 2823400 -1.52526 -41.7023 16.1326 -41.7022 -0.563451 55.9105 16.1325 55.9106 -8.6741 GPRESSAVG: 2823400 -0.918884 -43.8529 18.1028 -38.8502 -0.993462 55.709 15.8795 56.4432 -8.84693 TIMING: 2823400 CPU: 8916.66, 0.00315489/step Wall: 8916.66, 0.00315489/step, 1.90748 hours remaining, 235.394531 MB of memory in use. ENERGY: 2823400 4014.4248 20549.7500 14537.5797 255.1906 -203233.1703 2802.1343 0.0000 0.0000 52090.7348 -108983.3561 299.3662 -161074.0909 -108624.8971 300.4380 189.0327 216.1339 760541.1203 -3.5876 -3.5864 PRESSURE: 2823600 -228.222 -222.685 65.357 -222.685 -127.529 20.9641 65.3567 20.9648 -500.413 GPRESSURE: 2823600 -187.441 -167.142 20.9649 -232.596 -128.325 -19.1868 48.0104 34.832 -453.009 PRESSAVG: 2823600 29.1383 -46.5839 16.7352 -46.584 -65.0658 -14.5575 16.7352 -14.5575 -11.0248 GPRESSAVG: 2823600 28.9488 -45.271 18.167 -48.9569 -65.4959 -14.9093 16.3967 -14.7191 -10.7908 TIMING: 2823600 CPU: 8917.29, 0.00317281/step Wall: 8917.29, 0.00317281/step, 1.91814 hours remaining, 235.597656 MB of memory in use. ENERGY: 2823600 4024.4919 20505.4175 14569.9395 245.6905 -203316.0900 2422.9423 0.0000 0.0000 52496.9778 -109050.6306 301.7009 -161547.6084 -108695.7753 299.9774 -285.3882 -256.2584 761375.5334 -15.6508 -15.7793 PRESSURE: 2823800 253.681 -51.6564 76.8143 -51.657 50.754 -18.73 76.8136 -18.7303 34.2304 GPRESSURE: 2823800 244.133 2.39155 157.133 -83.2262 126.257 12.1284 145.31 -16.8768 64.8267 PRESSAVG: 2823800 -31.4991 -17.5659 -14.684 -17.5658 20.8167 -38.6928 -14.684 -38.6928 -23.9541 GPRESSAVG: 2823800 -30.3643 -17.5386 -16.819 -18.1214 20.6204 -37.8757 -12.5828 -37.4875 -24.4084 TIMING: 2823800 CPU: 8917.92, 0.00313947/step Wall: 8917.92, 0.00313947/step, 1.89781 hours remaining, 235.597656 MB of memory in use. ENERGY: 2823800 4024.8040 20571.0143 14443.9235 226.4435 -203214.5064 2830.1148 0.0000 0.0000 52257.5155 -108860.6909 300.3247 -161118.2064 -108499.4284 300.2714 112.8885 145.0724 762088.8990 -11.5455 -11.3841 PRESSURE: 2824000 86.0484 11.9408 184.879 11.9411 86.2858 -72.8116 184.879 -72.8097 82.8865 GPRESSURE: 2824000 13.2023 46.7537 243.884 -113.604 250.038 -49.8567 106.257 -15.7559 81.2776 PRESSAVG: 2824000 -7.04304 -65.885 38.0546 -65.885 7.10712 60.1124 38.0546 60.1125 -25.6272 GPRESSAVG: 2824000 -8.06471 -67.4476 39.7208 -66.3712 6.71153 61.6292 36.0187 58.288 -25.0196 TIMING: 2824000 CPU: 8918.55, 0.00316639/step Wall: 8918.55, 0.00316639/step, 1.91391 hours remaining, 235.597656 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: 2824000 4041.5554 20600.2871 14536.9305 264.3275 -203444.1278 2721.8080 0.0000 0.0000 52234.7495 -109044.4698 300.1938 -161279.2193 -108684.5164 300.1993 85.0736 114.8393 762733.9106 -8.5210 -8.7909 PRESSURE: 2824200 -332.802 -137.907 316.003 -137.906 143.266 39.686 316.003 39.6862 -60.2947 GPRESSURE: 2824200 -325.503 -192.539 294.175 -46.5973 169.352 52.8128 283.512 45.075 18.0963 PRESSAVG: 2824200 -40.236 -44.8939 12.4876 -44.8939 64.0941 -19.4766 12.4877 -19.4766 -11.669 GPRESSAVG: 2824200 -39.8445 -44.5428 11.3521 -44.8486 63.0972 -19.9584 13.5089 -18.3527 -10.8459 TIMING: 2824200 CPU: 8919.19, 0.00315661/step Wall: 8919.19, 0.00315661/step, 1.90782 hours remaining, 235.597656 MB of memory in use. ENERGY: 2824200 3994.0201 20586.9688 14506.0350 255.6160 -202855.5701 2618.6995 0.0000 0.0000 52028.5559 -108865.6748 299.0088 -160894.2307 -108508.6324 299.8513 -83.2769 -46.0183 762054.8958 4.0630 4.1356 LDB: ============= START OF LOAD BALANCING ============== 8931.72 LDB: ============== END OF LOAD BALANCING =============== 8931.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8931.72 LDB: ============= START OF LOAD BALANCING ============== 8932.04 LDB: Largest compute 7065 load 0.030076 is 15.4% of average load 0.195553 LDB: Average compute 0.004352 is 2.2% of average load 0.195553 LDB: TIME 8932.04 LOAD: AVG 0.195553 MAX 0.214101 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.07 MB LDB: TIME 8932.04 LOAD: AVG 0.195553 MAX 0.214101 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.07 MB LDB: TIME 8932.04 LOAD: AVG 0.195553 MAX 0.214101 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.07 MB LDB: ============== END OF LOAD BALANCING =============== 8932.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 8932.05 Info: useSync: 0 useProxySync: 0 PRESSURE: 2824400 4.52723 -16.837 -65.7493 -16.8367 -111.518 -42.7171 -65.7489 -42.7168 445.268 GPRESSURE: 2824400 9.91218 -56.2992 -7.6987 -3.67678 78.659 -7.66029 -201.621 -49.9889 348.229 PRESSAVG: 2824400 -0.0505713 -47.6397 35.7845 -47.6397 57.8323 8.02397 35.7845 8.02389 9.07302 GPRESSAVG: 2824400 0.0432142 -47.4149 36.2767 -46.1588 58.1484 5.85738 34.8798 6.81111 8.35828 TIMING: 2824400 CPU: 8919.83, 0.00321418/step Wall: 8919.83, 0.00321418/step, 1.94244 hours remaining, 234.429688 MB of memory in use. ENERGY: 2824400 3963.6093 20455.1678 14494.1695 254.6117 -202882.1341 2601.6618 0.0000 0.0000 52177.0127 -108935.9012 299.8620 -161112.9139 -108565.3060 300.1609 112.7590 145.6002 761444.3581 22.2849 22.1833 PRESSURE: 2824600 189.179 36.4044 -293.385 36.4041 -15.3581 -7.1763 -293.385 -7.17743 -5.72463 GPRESSURE: 2824600 112.549 -63.6021 -220.818 154.097 146.125 -14.943 -261.116 -65.0681 -31.2054 PRESSAVG: 2824600 -22.1323 -3.70419 -25.9002 -3.70417 14.2755 38.9349 -25.9003 38.9348 -10.9707 GPRESSAVG: 2824600 -23.1218 -3.20409 -26.9022 -4.57509 15.8039 40.154 -25.4738 40.0106 -11.4472 TIMING: 2824600 CPU: 8920.46, 0.00315264/step Wall: 8920.46, 0.00315264/step, 1.90507 hours remaining, 234.429688 MB of memory in use. ENERGY: 2824600 3996.6625 20496.7562 14443.9836 231.0464 -203170.3081 2697.5123 0.0000 0.0000 52427.5243 -108876.8228 301.3017 -161304.3471 -108503.7773 300.2005 56.0321 75.8228 762713.9944 -6.2759 -6.2550 PRESSURE: 2824800 237.477 65.8256 88.2018 65.8251 43.7128 -141.095 88.2022 -141.095 241.205 GPRESSURE: 2824800 323.39 134.762 174.959 22.5936 52.1921 -150.557 -128.226 -43.565 244.809 PRESSAVG: 2824800 26.2809 30.3979 -28.3042 30.3978 -3.26755 18.9143 -28.3043 18.9142 9.93674 GPRESSAVG: 2824800 27.5538 30.6952 -28.7415 28.6605 -4.6193 18.6741 -28.2819 19.7643 10.6409 TIMING: 2824800 CPU: 8921.09, 0.00313359/step Wall: 8921.09, 0.00313359/step, 1.89338 hours remaining, 234.429688 MB of memory in use. ENERGY: 2824800 3965.0624 20602.6336 14520.7777 248.8392 -202898.2260 2749.8353 0.0000 0.0000 51979.6415 -108831.4362 298.7277 -160811.0777 -108477.7140 300.1037 174.1318 206.7972 763778.8503 10.9834 11.1918 PRESSURE: 2825000 -258.885 119.321 -41.4658 119.321 -201.246 42.2834 -41.4665 42.2834 -378.015 GPRESSURE: 2825000 -226.168 190.48 -110.626 52.1441 -195.47 25.2849 47.815 -37.2692 -326.545 PRESSAVG: 2825000 61.0372 17.5023 -49.3855 17.5023 -51.1917 9.43628 -49.3856 9.43625 15.3565 GPRESSAVG: 2825000 61.0073 17.9869 -46.7048 17.7715 -50.5115 8.3898 -49.8784 8.95626 15.5403 TIMING: 2825000 CPU: 8921.71, 0.00313665/step Wall: 8921.71, 0.00313665/step, 1.89506 hours remaining, 234.429688 MB of memory in use. ENERGY: 2825000 4015.2807 20538.6165 14480.1933 253.6184 -203163.0960 2854.4459 0.0000 0.0000 52225.2152 -108795.7259 300.1390 -161020.9411 -108429.6692 300.4709 -279.3819 -249.3943 764252.3182 8.4007 8.6787 PRESSURE: 2825200 -300.648 -43.4 -97.1894 -43.4 -228.823 -68.0733 -97.1898 -68.074 -337.49 GPRESSURE: 2825200 -303.177 -76.3844 -61.1406 -58.7092 -145.743 -72.4388 -112.485 1.25632 -342.343 PRESSAVG: 2825200 -84.8232 -27.5788 -22.6665 -27.5789 17.8869 44.9578 -22.6664 44.9578 9.63781 GPRESSAVG: 2825200 -83.871 -28.689 -24.7828 -26.4428 17.7471 46.9267 -21.1595 45.1399 9.41447 TIMING: 2825200 CPU: 8922.34, 0.00315073/step Wall: 8922.34, 0.00315073/step, 1.90339 hours remaining, 234.429688 MB of memory in use. ENERGY: 2825200 4017.3998 20701.0529 14434.7952 218.9725 -202995.9501 2672.3151 0.0000 0.0000 52048.9957 -108902.4188 299.1263 -160951.4145 -108547.5570 300.0092 -288.9869 -263.7543 764482.1835 -19.0995 -18.9032 PRESSURE: 2825400 184.7 28.9869 -17.3383 28.9873 155.165 -33.8913 -17.3378 -33.892 143.182 GPRESSURE: 2825400 174.664 96.8882 6.53037 -14.8503 127.607 -92.7121 -84.2078 -62.449 258.629 PRESSAVG: 2825400 -31.4019 -34.8778 -21.5516 -34.8778 29.6282 -9.27543 -21.5516 -9.27551 -11.8504 GPRESSAVG: 2825400 -32.1072 -33.2822 -20.2784 -36.292 29.1759 -9.69489 -23.4715 -8.59195 -10.6672 TIMING: 2825400 CPU: 8922.97, 0.00314912/step Wall: 8922.97, 0.00314912/step, 1.90224 hours remaining, 234.429688 MB of memory in use. ENERGY: 2825400 4040.1704 20614.0723 14413.7037 261.4126 -203660.3694 3175.5694 0.0000 0.0000 52323.7883 -108831.6528 300.7055 -161155.4411 -108467.8248 300.1069 161.0158 186.9665 762681.4551 -4.5414 -4.5328 PRESSURE: 2825600 -215.178 -82.6072 -105.437 -82.6073 -511.46 71.3553 -105.438 71.355 -198.267 GPRESSURE: 2825600 -214.506 -126.926 -232.834 14.3824 -395.498 17.3604 -147.915 75.2687 -226.449 PRESSAVG: 2825600 7.72834 -10.083 -26.8123 -10.0831 -47.5651 37.7856 -26.8123 37.7856 12.6475 GPRESSAVG: 2825600 7.35309 -11.5133 -27.883 -10.3153 -47.4568 37.1449 -25.5163 38.9838 12.9577 TIMING: 2825600 CPU: 8923.6, 0.00314342/step Wall: 8923.6, 0.00314342/step, 1.89863 hours remaining, 234.429688 MB of memory in use. ENERGY: 2825600 4061.5287 20565.6805 14497.8432 244.6781 -202912.8196 2310.7533 0.0000 0.0000 52370.5482 -108861.7875 300.9743 -161232.3357 -108487.4374 300.6424 -308.3014 -278.8178 761840.7095 -9.0631 -9.0487 PRESSURE: 2825800 -216.631 55.3762 -2.01289 55.3773 -6.54651 248.293 -2.01345 248.294 30.0497 GPRESSURE: 2825800 -158.644 -31.3806 54.5311 63.7879 51.8042 243.947 -8.74392 168.379 -8.25411 PRESSAVG: 2825800 64.6777 -33.0551 -5.74083 -33.0551 -39.9893 76.686 -5.74082 76.6861 0.950425 GPRESSAVG: 2825800 63.8558 -31.3537 -3.39311 -30.9767 -37.4444 77.0161 -6.81331 75.4127 -0.462077 TIMING: 2825800 CPU: 8924.23, 0.00314577/step Wall: 8924.23, 0.00314577/step, 1.89987 hours remaining, 234.429688 MB of memory in use. ENERGY: 2825800 4011.7862 20616.7719 14538.7621 258.6812 -202561.5169 2427.1752 0.0000 0.0000 51749.3861 -108958.9543 297.4044 -160708.3404 -108595.7284 300.3337 -64.3759 -38.3646 764328.1068 8.5463 8.6498 PRESSURE: 2826000 61.1753 36.7891 0.226723 36.789 -175.334 -72.05 0.226276 -72.0494 337.796 GPRESSURE: 2826000 85.7739 -41.3711 -36.2744 -38.2569 -113.113 -130.343 -27.009 -108.017 315.921 PRESSAVG: 2826000 -27.3431 -10.6845 2.97436 -10.6845 18.3331 -11.9959 2.97431 -11.9959 12.9476 GPRESSAVG: 2826000 -26.7433 -14.6904 1.3917 -12.9724 16.7921 -9.93588 3.00919 -13.4283 13.6595 TIMING: 2826000 CPU: 8924.86, 0.00314141/step Wall: 8924.86, 0.00314141/step, 1.89706 hours remaining, 234.429688 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: 2826000 3961.0209 20471.5997 14504.4984 242.1674 -203526.3567 2971.2372 0.0000 0.0000 52420.6670 -108955.1661 301.2623 -161375.8331 -108579.6338 299.9024 74.5455 96.1940 762994.6672 1.3125 1.2361 PRESSURE: 2826200 471.006 12.4828 -128.939 12.483 55.5024 66.7716 -128.939 66.7709 212.637 GPRESSURE: 2826200 456.458 34.6829 -108.574 -56.235 160.026 75.1497 -94.8586 -111.401 203.746 PRESSAVG: 2826200 16.6575 11.2304 9.72071 11.2304 8.35223 39.9689 9.72064 39.9689 -18.4857 GPRESSAVG: 2826200 16.2899 12.2796 9.96844 13.3432 7.97093 38.3031 10.4931 42.1291 -17.9223 TIMING: 2826200 CPU: 8925.49, 0.00314519/step Wall: 8925.49, 0.00314519/step, 1.89917 hours remaining, 234.429688 MB of memory in use. ENERGY: 2826200 4112.5319 20580.1390 14421.5865 234.2834 -203387.0005 2869.1571 0.0000 0.0000 52120.2243 -109049.0783 299.5356 -161169.3025 -108688.2311 300.2596 246.3819 273.4099 761143.5122 2.1747 2.1128 PRESSURE: 2826400 -362.76 -83.2082 -3.22844 -83.2087 94.7412 105.633 -3.22743 105.633 37.6838 GPRESSURE: 2826400 -261.266 -134.314 -24.1213 -56.5589 104.946 19.9926 -118.521 14.6474 31.6533 PRESSAVG: 2826400 -25.6199 -45.2972 35.2195 -45.2972 11.7511 12.4753 35.2196 12.4752 -4.34444 GPRESSAVG: 2826400 -23.2513 -43.5708 36.0032 -44.3743 11.1668 11.8202 34.5236 10.7297 -6.16467 TIMING: 2826400 CPU: 8926.12, 0.00314889/step Wall: 8926.12, 0.00314889/step, 1.90123 hours remaining, 234.429688 MB of memory in use. ENERGY: 2826400 4077.7256 20414.1204 14426.7006 234.6748 -203376.1500 2783.6936 0.0000 0.0000 52666.6779 -108772.5570 302.6761 -161439.2349 -108412.2793 300.1932 -76.7783 -41.5556 761904.8579 -6.0711 -6.0831 PRESSURE: 2826600 133.638 -269.842 -58.4621 -269.841 -384.457 -58.612 -58.4627 -58.6112 69.8703 GPRESSURE: 2826600 156.191 -194.088 -56.8827 -175.122 -341.117 -50.6048 -64.2552 37.5114 91.143 PRESSAVG: 2826600 -24.5509 11.463 -44.0401 11.463 -9.21658 48.5016 -44.0402 48.5016 -7.74075 GPRESSAVG: 2826600 -25.581 11.3068 -44.6917 10.3384 -8.70028 49.3508 -42.9599 48.2442 -6.9618 TIMING: 2826600 CPU: 8926.75, 0.00318352/step Wall: 8926.75, 0.00318352/step, 1.92196 hours remaining, 234.429688 MB of memory in use. ENERGY: 2826600 4053.3252 20620.1353 14448.8798 221.6825 -202802.7360 2712.6624 0.0000 0.0000 52113.5909 -108632.4598 299.4975 -160746.0507 -108271.6274 300.5701 -60.3162 -31.2609 765232.2784 -13.8361 -13.7477 PRESSURE: 2826800 -48.5325 -16.6597 -10.5204 -16.6601 -141.141 147.866 -10.52 147.866 177.43 GPRESSURE: 2826800 -26.0872 44.5013 -90.0458 82.2392 -77.8553 45.7105 58.5707 108.655 153.897 PRESSAVG: 2826800 -20.1943 -44.5475 -74.1095 -44.5475 6.91165 32.9606 -74.1095 32.9606 -5.9106 GPRESSAVG: 2826800 -21.2585 -41.7252 -76.335 -43.7715 6.63332 33.9905 -73.0132 34.1075 -5.20757 TIMING: 2826800 CPU: 8927.38, 0.00313616/step Wall: 8927.38, 0.00313616/step, 1.8932 hours remaining, 234.429688 MB of memory in use. ENERGY: 2826800 3960.7473 20494.5007 14417.4818 238.1111 -202476.7923 2534.2247 0.0000 0.0000 52178.0493 -108653.6775 299.8680 -160831.7268 -108291.2573 300.1672 -4.0812 16.6515 762814.9416 -6.3977 -6.6109 PRESSURE: 2827000 341.595 253.759 84.176 253.759 335.73 -48.6956 84.1751 -48.6947 53.9271 GPRESSURE: 2827000 359.146 125.535 -19.8958 231.641 343.856 -77.1878 -2.95837 -36.0117 113.04 PRESSAVG: 2827000 -8.56708 10.2925 -4.36844 10.2925 4.81936 -5.23007 -4.36839 -5.23 -16.0415 GPRESSAVG: 2827000 -8.99508 9.10585 -3.86544 10.1826 7.01108 -6.08498 -4.93806 -6.61611 -17.7262 TIMING: 2827000 CPU: 8928.01, 0.00314206/step Wall: 8928.01, 0.00314206/step, 1.89658 hours remaining, 234.429688 MB of memory in use. ENERGY: 2827000 4019.9348 20688.8169 14454.7864 248.4711 -203322.4353 2857.7792 0.0000 0.0000 52168.6754 -108883.9715 299.8141 -161052.6469 -108528.9345 299.8913 243.7508 272.0139 762831.3237 -6.5964 -6.5701 PRESSURE: 2827200 -217.609 -147.428 -105.461 -147.428 -2.32372 69.9317 -105.461 69.9311 -378.736 GPRESSURE: 2827200 -174.198 -85.7449 -93.2392 -214.343 34.2273 -14.4284 -214.139 178.653 -371.323 PRESSAVG: 2827200 -42.6944 -24.0381 -12.5504 -24.0381 28.6575 21.1534 -12.5504 21.1534 -9.27756 GPRESSAVG: 2827200 -41.5741 -24.3937 -10.183 -23.4548 26.8092 19.9207 -13.2859 22.1798 -7.9001 TIMING: 2827200 CPU: 8928.64, 0.00315427/step Wall: 8928.64, 0.00315427/step, 1.90378 hours remaining, 234.429688 MB of memory in use. ENERGY: 2827200 4006.9698 20605.6305 14443.4505 251.2845 -203041.2166 2505.4193 0.0000 0.0000 52057.2490 -109171.2129 299.1737 -161228.4619 -108800.3651 300.2437 -199.5562 -170.4314 763424.7649 -7.7715 -7.5550 PRESSURE: 2827400 -239.717 7.95742 -39.3632 7.95819 198.345 32.5985 -39.3633 32.5974 23.8373 GPRESSURE: 2827400 -239.834 44.5988 -89.8515 -38.6937 242.853 -27.7428 -35.7583 -57.0922 60.8689 PRESSAVG: 2827400 -62.8748 -22.2814 -20.9487 -22.2814 58.428 1.98735 -20.9486 1.98737 3.74523 GPRESSAVG: 2827400 -62.2146 -22.1503 -22.9004 -23.5074 57.2356 3.75456 -17.5208 0.39202 3.35803 TIMING: 2827400 CPU: 8929.27, 0.00316692/step Wall: 8929.27, 0.00316692/step, 1.91124 hours remaining, 234.429688 MB of memory in use. ENERGY: 2827400 3998.0250 20366.9279 14489.9396 266.5317 -203679.5009 2874.6261 0.0000 0.0000 52372.0087 -109311.4418 300.9827 -161683.4506 -108942.3640 299.6430 -5.8449 21.2962 761209.8384 -0.2339 -0.5403 PRESSURE: 2827600 -205.572 -8.47314 203.89 -8.47286 -134.359 35.0854 203.89 35.0853 74.1148 GPRESSURE: 2827600 -81.9104 20.4342 259.662 -89.3293 -133.849 55.1261 107.829 11.4013 53.4653 PRESSAVG: 2827600 -7.27672 -35.6787 -37.2508 -35.6788 8.69075 -4.14818 -37.2508 -4.14812 17.9926 GPRESSAVG: 2827600 -8.53113 -35.6147 -36.9039 -34.1833 10.4231 -5.49729 -40.8772 -3.81533 17.1702 TIMING: 2827600 CPU: 8929.91, 0.00316931/step Wall: 8929.91, 0.00316931/step, 1.91251 hours remaining, 234.429688 MB of memory in use. ENERGY: 2827600 4036.9263 20479.2443 14513.0106 249.8431 -203211.5140 2678.4515 0.0000 0.0000 52198.3873 -109055.6508 299.9848 -161254.0381 -108701.4483 300.0231 -88.6052 -54.0982 763042.7007 6.4689 6.3541 PRESSURE: 2827800 86.8486 213.966 -8.16895 213.965 -192.698 167.168 -8.16837 167.168 35.5189 GPRESSURE: 2827800 79.4205 207.456 44.9056 119.126 -116.145 142.305 26.5278 95.9198 20.9831 PRESSAVG: 2827800 0.832108 -57.2065 22.5578 -57.2065 4.88933 -29.4192 22.5578 -29.4192 4.06067 GPRESSAVG: 2827800 -0.079388 -56.821 23.9439 -60.1738 3.64666 -28.8561 22.3567 -28.9967 5.93571 TIMING: 2827800 CPU: 8930.54, 0.00314111/step Wall: 8930.54, 0.00314111/step, 1.89531 hours remaining, 234.429688 MB of memory in use. ENERGY: 2827800 4012.6625 20711.8213 14468.2760 271.9249 -202801.2126 2367.7397 0.0000 0.0000 51897.6411 -109071.1473 298.2565 -160968.7884 -108723.7961 300.1672 -23.4435 -5.2470 762348.3126 3.2607 3.1677 PRESSURE: 2828000 38.9762 -266.999 -134.497 -266.999 -29.3799 -20.2982 -134.497 -20.2973 -118.304 GPRESSURE: 2828000 96.5536 -146.071 -53.6242 -69.1423 -11.007 3.10908 -174.523 -57.3175 -134.693 PRESSAVG: 2828000 49.9253 -25.9555 18.0464 -25.9555 -72.6859 14.2443 18.0464 14.2444 -15.2022 GPRESSAVG: 2828000 50.3894 -24.8207 17.9964 -26.7502 -71.2698 14.1126 21.0977 14.9703 -17.5482 TIMING: 2828000 CPU: 8931.17, 0.00314996/step Wall: 8931.17, 0.00314996/step, 1.90048 hours remaining, 234.429688 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: 2828000 4087.6462 20543.0015 14457.8896 237.5698 -203296.6535 2886.4631 0.0000 0.0000 51989.7681 -109094.3152 298.7859 -161084.0833 -108742.1232 299.5273 -36.2360 -16.3822 762753.8904 -12.6542 -12.8096 PRESSURE: 2828200 -136.006 190.567 73.1624 190.568 16.1608 -18.9128 73.1617 -18.9121 -147.332 GPRESSURE: 2828200 -59.7348 131.649 120.711 181.969 13.0631 -14.4555 -38.0066 35.97 -142.551 PRESSAVG: 2828200 -4.89149 29.6853 -32.0901 29.6853 -0.494911 -8.29405 -32.0902 -8.2941 19.9103 GPRESSAVG: 2828200 -4.33844 27.8752 -32.8347 31.7904 -2.4305 -7.2103 -33.2316 -7.12363 21.1481 TIMING: 2828200 CPU: 8931.8, 0.00315562/step Wall: 8931.8, 0.00315562/step, 1.90371 hours remaining, 234.429688 MB of memory in use. ENERGY: 2828200 4044.3730 20661.2817 14421.4922 236.0219 -203115.5390 2534.2253 0.0000 0.0000 52123.0702 -109095.0746 299.5520 -161218.1448 -108738.5815 299.8576 -89.0591 -63.0743 762534.9386 4.8413 4.7931 LDB: ============= START OF LOAD BALANCING ============== 8944.33 LDB: ============== END OF LOAD BALANCING =============== 8944.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8944.33 LDB: ============= START OF LOAD BALANCING ============== 8944.65 LDB: Largest compute 7072 load 0.030876 is 15.8% of average load 0.195561 LDB: Average compute 0.004358 is 2.2% of average load 0.195561 LDB: TIME 8944.65 LOAD: AVG 0.195561 MAX 0.215315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.418 MB LDB: TIME 8944.65 LOAD: AVG 0.195561 MAX 0.215315 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.621 MB LDB: TIME 8944.65 LOAD: AVG 0.195561 MAX 0.215315 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.621 MB LDB: ============== END OF LOAD BALANCING =============== 8944.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8944.66 PRESSURE: 2828400 136.339 80.9709 59.7622 80.971 109.816 -38.7681 59.7625 -38.7683 79.4334 GPRESSURE: 2828400 228.014 171.38 80.4512 -17.967 49.2162 42.7301 114.146 -177.194 118.348 PRESSAVG: 2828400 -43.7191 57.9321 -35.2436 57.9321 25.6353 34.623 -35.2435 34.623 8.79936 GPRESSAVG: 2828400 -42.9159 56.9966 -35.0745 58.0864 25.4578 33.9198 -35.3144 34.0563 8.21313 TIMING: 2828400 CPU: 8932.44, 0.00321692/step Wall: 8932.44, 0.0032169/step, 1.94051 hours remaining, 235.394531 MB of memory in use. ENERGY: 2828400 3991.2916 20602.0801 14494.7372 235.9484 -203663.7272 3112.2322 0.0000 0.0000 52105.3200 -109122.1177 299.4500 -161227.4377 -108759.0914 299.7492 108.5293 131.8593 763386.3129 -3.0948 -3.0816 PRESSURE: 2828600 -147.757 -142.922 90.0086 -142.922 -81.6218 42.5634 90.0073 42.5637 53.7254 GPRESSURE: 2828600 -128.262 -212.023 -6.14421 -67.0432 -27.2383 22.1402 -155.641 180.842 87.6606 PRESSAVG: 2828600 25.4034 -1.69711 -16.8008 -1.69707 -30.1498 19.2046 -16.8008 19.2047 16.1897 GPRESSAVG: 2828600 23.8685 -1.93718 -18.8163 -1.40371 -28.4918 19.4547 -17.5268 18.5984 17.0741 TIMING: 2828600 CPU: 8933.07, 0.00314642/step Wall: 8933.07, 0.00314644/step, 1.89782 hours remaining, 235.597656 MB of memory in use. ENERGY: 2828600 3998.5753 20558.7004 14425.8789 254.4062 -202877.9449 2356.3019 0.0000 0.0000 52050.7160 -109233.3663 299.1362 -161284.0823 -108877.6661 299.4106 -58.5511 -22.6132 762163.6961 3.8144 4.1502 PRESSURE: 2828800 265.165 -66.0008 -116.354 -66.0016 106.851 39.5904 -116.355 39.591 0.992264 GPRESSURE: 2828800 342.231 -31.1142 -44.4653 -11.6458 144.063 85.8106 -160.532 -39.043 -49.2241 PRESSAVG: 2828800 -10.4967 -11.895 -1.44421 -11.895 -9.46888 -41.4527 -1.44415 -41.4527 -3.95365 GPRESSAVG: 2828800 -9.07398 -12.2797 0.89803 -10.9478 -11.2229 -42.3376 -2.8829 -41.7251 -3.92515 TIMING: 2828800 CPU: 8933.7, 0.00315798/step Wall: 8933.7, 0.00315798/step, 1.90461 hours remaining, 235.597656 MB of memory in use. ENERGY: 2828800 4009.1770 20594.2002 14371.4033 264.5884 -203600.2239 2936.3835 0.0000 0.0000 52178.0907 -109246.3809 299.8682 -161424.4715 -108872.3727 299.3234 124.3363 145.6901 763403.4579 -7.9731 -8.0740 PRESSURE: 2829000 71.6967 -14.5633 126.181 -14.5626 124.161 95.541 126.181 95.5416 -51.6092 GPRESSURE: 2829000 -36.8325 23.7624 111.359 -19.2099 255.516 80.8783 157.515 72.5162 0.0279605 PRESSAVG: 2829000 39.7337 -44.7845 -33.7682 -44.7845 -56.6509 -37.8438 -33.7682 -37.8438 8.82736 GPRESSAVG: 2829000 38.2515 -44.0978 -32.5512 -41.524 -54.6748 -36.6932 -31.0062 -37.3487 9.16993 TIMING: 2829000 CPU: 8934.33, 0.00315719/step Wall: 8934.33, 0.00315719/step, 1.90396 hours remaining, 235.597656 MB of memory in use. ENERGY: 2829000 4000.5132 20504.0988 14412.3635 243.2136 -203471.9309 2955.1393 0.0000 0.0000 52038.1031 -109318.4994 299.0637 -161356.6025 -108963.3739 299.0920 48.0827 72.9037 764138.0323 -2.6966 -2.4178 PRESSURE: 2829200 -266.239 33.03 63.6195 33.03 6.3826 -284.938 63.6191 -284.938 15.4158 GPRESSURE: 2829200 -202.996 48.9332 47.8951 -8.31361 35.8792 -264.596 127.4 -185.682 9.3804 PRESSAVG: 2829200 -19.2807 12.6551 36.545 12.6552 -15.2017 -30.5342 36.545 -30.5343 -19.215 GPRESSAVG: 2829200 -19.6248 14.0609 34.0876 6.82292 -14.1901 -32.4766 36.3689 -28.8195 -20.201 TIMING: 2829200 CPU: 8934.97, 0.00316586/step Wall: 8934.97, 0.00316586/step, 1.90901 hours remaining, 235.597656 MB of memory in use. ENERGY: 2829200 3953.7411 20563.4457 14374.0622 239.5873 -203074.2580 2485.9223 0.0000 0.0000 51907.8758 -109549.6237 298.3153 -161457.4994 -109197.7768 298.8325 -81.4801 -52.5786 762362.6316 -17.8991 -18.0053 PRESSURE: 2829400 -202.143 -62.048 -29.6153 -62.0483 -53.0473 -131.17 -29.6158 -131.17 -79.3321 GPRESSURE: 2829400 -66.9103 -61.5474 -12.1731 -64.4574 -96.5443 -164.337 -20.3846 -131.996 -108.742 PRESSAVG: 2829400 -5.94298 5.78617 -20.1181 5.7862 28.443 12.6747 -20.1181 12.6747 -23.078 GPRESSAVG: 2829400 -5.82511 4.91237 -20.3718 9.56721 27.0363 13.96 -19.4348 10.4584 -22.9698 TIMING: 2829400 CPU: 8935.6, 0.00315509/step Wall: 8935.6, 0.00315509/step, 1.90235 hours remaining, 235.597656 MB of memory in use. ENERGY: 2829400 3995.3520 20503.4703 14484.7434 269.9096 -202870.1672 2262.6449 0.0000 0.0000 51731.5159 -109622.5312 297.3017 -161354.0471 -109267.7029 298.0052 -111.5076 -90.7323 762148.5067 -0.1927 -0.5862 PRESSURE: 2829600 140.013 12.2384 -201.341 12.2399 425.228 73.5624 -201.342 73.5636 423.586 GPRESSURE: 2829600 221.914 2.09554 -147.763 69.9393 398.372 160.42 -5.04101 50.8163 438.605 PRESSAVG: 2829600 73.5625 37.4505 15.0247 37.4505 -13.8941 -45.7964 15.0248 -45.7963 11.0155 GPRESSAVG: 2829600 74.7451 38.7353 17.4979 36.3021 -14.5368 -44.9785 14.2193 -45.4258 10.7273 TIMING: 2829600 CPU: 8936.23, 0.00314654/step Wall: 8936.23, 0.00314654/step, 1.89702 hours remaining, 235.597656 MB of memory in use. ENERGY: 2829600 3976.8452 20424.2316 14433.5956 268.5402 -203861.9181 3099.5412 0.0000 0.0000 52180.8088 -109478.3555 299.8838 -161659.1643 -109128.9657 298.8158 329.6089 352.9639 760709.3523 23.5613 23.6452 PRESSURE: 2829800 -84.3043 83.8879 -158.837 83.888 -251.942 -137.089 -158.836 -137.09 -124.575 GPRESSURE: 2829800 -59.7188 79.9526 -138.445 29.4596 -240.565 -183.438 -82.2218 -178.797 -67.0271 PRESSAVG: 2829800 47.3647 -5.51813 17.0167 -5.51803 -33.5041 -61.8598 17.0168 -61.8598 9.16356 GPRESSAVG: 2829800 46.9175 -6.46862 15.846 -5.11741 -33.7941 -62.8893 19.1345 -61.5385 9.9729 TIMING: 2829800 CPU: 8936.86, 0.00315105/step Wall: 8936.86, 0.00315105/step, 1.89956 hours remaining, 235.597656 MB of memory in use. ENERGY: 2829800 4004.5148 20318.4133 14377.7385 235.4747 -203172.6260 2665.3415 0.0000 0.0000 52172.6473 -109398.4960 299.8369 -161571.1432 -109031.8478 298.8829 -153.6071 -122.4370 762799.4462 7.6747 7.6988 PRESSURE: 2830000 117.115 -27.7693 -42.9303 -27.7694 151.483 78.9201 -42.9306 78.9206 222.688 GPRESSURE: 2830000 244.109 -20.8638 -131.926 -73.3817 184.682 -17.5347 5.98381 21.6378 134.632 PRESSAVG: 2830000 -7.48563 44.8318 -0.454182 44.8318 -51.4893 -13.6231 -0.454183 -13.623 -2.22336 GPRESSAVG: 2830000 -7.70104 44.6455 0.285523 41.3309 -52.1234 -14.2603 -0.82112 -14.8144 -2.3219 TIMING: 2830000 CPU: 8937.48, 0.00313373/step Wall: 8937.48, 0.00313373/step, 1.88894 hours remaining, 235.597656 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: 2830000 4041.7809 20470.0423 14446.7209 236.6800 -203218.5547 2539.7388 0.0000 0.0000 52012.0467 -109471.5451 298.9139 -161483.5917 -109103.7947 299.0578 163.7619 187.8076 762114.2036 -20.3994 -20.7155 PRESSURE: 2830200 74.4834 125.423 -107.476 125.423 144.352 38.8012 -107.477 38.8007 -177.592 GPRESSURE: 2830200 53.9892 139.691 -183.543 86.1506 244.685 101.368 -20.1941 112.561 -148.444 PRESSAVG: 2830200 -59.3933 51.6512 36.5593 51.6512 17.2731 33.7742 36.5593 33.7742 -8.44212 GPRESSAVG: 2830200 -60.7358 51.8065 36.2381 54.3511 18.5296 34.2693 35.3582 34.4595 -8.46789 TIMING: 2830200 CPU: 8938.11, 0.0031396/step Wall: 8938.11, 0.0031396/step, 1.89231 hours remaining, 235.597656 MB of memory in use. ENERGY: 2830200 3976.3008 20578.0048 14328.0987 244.0518 -203154.9143 2627.0820 0.0000 0.0000 52017.4290 -109383.9472 298.9449 -161401.3762 -109026.4715 298.8194 13.7478 50.0769 761829.3418 -16.8541 -16.8914 PRESSURE: 2830400 40.0301 127.91 -183.387 127.911 -76.2278 29.8934 -183.388 29.8933 5.50783 GPRESSURE: 2830400 175.786 66.8097 -243.281 83.6432 -69.6007 -28.2163 -165.103 45.414 -33.6597 PRESSAVG: 2830400 -10.4724 -32.3039 47.4506 -32.3039 46.4535 -35.4831 47.4506 -35.4831 -8.81681 GPRESSAVG: 2830400 -8.69594 -31.7962 47.737 -31.8332 45.0614 -35.4704 45.5803 -35.7911 -9.12842 TIMING: 2830400 CPU: 8938.74, 0.0031424/step Wall: 8938.74, 0.0031424/step, 1.89382 hours remaining, 235.597656 MB of memory in use. ENERGY: 2830400 3919.1198 20446.4981 14368.5165 243.2117 -203094.4064 2761.6987 0.0000 0.0000 51941.1523 -109414.2093 298.5065 -161355.3616 -109054.2792 299.0720 -10.2300 24.1753 762646.0466 9.0548 9.0790 PRESSURE: 2830600 -73.6832 188.385 -22.2108 188.387 -392.071 -236.694 -22.211 -236.693 -149.202 GPRESSURE: 2830600 -71.7626 217.229 39.748 176.36 -341.842 -210.552 -33.6935 -196.639 -110.161 PRESSAVG: 2830600 6.78973 45.9721 -6.3129 45.9721 26.43 20.3484 -6.31284 20.3484 10.3966 GPRESSAVG: 2830600 6.29147 43.8476 -6.26561 44.9838 27.4252 19.5487 -6.34902 21.9921 9.86764 TIMING: 2830600 CPU: 8939.37, 0.00315541/step Wall: 8939.37, 0.00315541/step, 1.90149 hours remaining, 235.597656 MB of memory in use. ENERGY: 2830600 3925.1996 20500.4431 14412.7371 252.0717 -203516.7692 2851.6479 0.0000 0.0000 52257.5828 -109317.0870 300.3250 -161574.6699 -108958.7686 299.2384 -204.9855 -174.5885 761314.5397 14.5388 14.5281 PRESSURE: 2830800 146.788 196.326 65.6919 196.327 219.766 140.371 65.693 140.372 95.938 GPRESSURE: 2830800 233.146 270.954 65.6974 167.252 229.996 129.763 233.456 26.4769 68.2414 PRESSAVG: 2830800 -66.2923 6.79426 29.4861 6.79431 53.3839 -31.8758 29.4861 -31.8757 10.7163 GPRESSAVG: 2830800 -66.9445 9.1062 28.6174 6.15666 53.9012 -30.0721 31.4755 -35.2982 10.6812 TIMING: 2830800 CPU: 8940, 0.00314825/step Wall: 8940, 0.00314825/step, 1.897 hours remaining, 235.597656 MB of memory in use. ENERGY: 2830800 3995.5949 20469.5349 14375.0289 269.6170 -203363.3463 2788.2235 0.0000 0.0000 52111.1805 -109354.1666 299.4837 -161465.3471 -108990.8489 299.8433 154.1642 177.1279 759948.2462 -0.7307 -0.7874 PRESSURE: 2831000 244.223 75.2855 -129.017 75.2856 74.4093 81.6133 -129.017 81.6138 374.494 GPRESSURE: 2831000 304.344 154.168 -131.533 94.7456 108.992 133.257 -139.846 162.362 357.377 PRESSAVG: 2831000 -30.3847 8.66542 -28.5237 8.6654 47.3129 -21.7161 -28.5236 -21.7161 -5.57164 GPRESSAVG: 2831000 -30.4339 7.17613 -29.3032 12.1622 46.0626 -22.2191 -27.7819 -20.4988 -4.76043 TIMING: 2831000 CPU: 8940.63, 0.00315267/step Wall: 8940.63, 0.00315268/step, 1.89949 hours remaining, 235.597656 MB of memory in use. ENERGY: 2831000 3918.9530 20523.4637 14466.2751 273.1026 -203544.9744 2850.0904 0.0000 0.0000 52061.1378 -109451.9518 299.1961 -161513.0896 -109090.6731 299.2446 231.0422 256.9047 761262.6265 3.7855 3.6227 PRESSURE: 2831200 -5.23774 -219.728 -151.595 -219.729 62.8759 69.0351 -151.594 69.0347 -1.06728 GPRESSURE: 2831200 -27.4518 -136.001 -152.333 -220.915 126.705 123.486 -74.8918 39.4219 47.7768 PRESSAVG: 2831200 -38.0174 -38.7292 1.54624 -38.7291 52.1786 -33.9664 1.54625 -33.9664 -1.49021 GPRESSAVG: 2831200 -37.5209 -39.2682 2.61334 -38.3208 52.8125 -34.3168 1.52295 -33.4775 -2.62357 TIMING: 2831200 CPU: 8941.26, 0.00316026/step Wall: 8941.26, 0.00316026/step, 1.90388 hours remaining, 235.597656 MB of memory in use. ENERGY: 2831200 4035.3243 20539.3978 14400.7564 238.2798 -203377.9260 2563.6696 0.0000 0.0000 52005.4465 -109595.0517 298.8760 -161600.4982 -109222.9750 299.2724 18.8570 49.0099 761541.8264 4.2237 4.2227 PRESSURE: 2831400 264.354 145.579 -142.533 145.579 -107.57 -27.7725 -142.533 -27.7734 167.635 GPRESSURE: 2831400 212.291 88.1725 -82.5624 76.2895 -17.0976 -53.5622 -55.7565 -74.9387 206.442 PRESSAVG: 2831400 -34.3802 -8.83715 6.42718 -8.83713 36.4195 2.98837 6.42725 2.98838 12.6648 GPRESSAVG: 2831400 -35.9992 -7.0323 5.15033 -11.5192 36.3804 4.11005 5.94756 3.69136 13.6207 TIMING: 2831400 CPU: 8941.89, 0.00313356/step Wall: 8941.89, 0.00313356/step, 1.88762 hours remaining, 235.597656 MB of memory in use. ENERGY: 2831400 4051.2078 20571.1201 14422.4508 239.4505 -203539.7261 2624.4827 0.0000 0.0000 51972.8000 -109658.2141 298.6884 -161631.0142 -109290.1804 298.9874 108.1398 133.8784 761585.6034 4.9014 4.6673 PRESSURE: 2831600 86.7353 66.4081 -111.154 66.4081 216.459 -61.3677 -111.154 -61.3687 -165.442 GPRESSURE: 2831600 55.998 -26.4842 -83.3637 -42.4188 333.959 -115.796 -99.4049 -38.1616 -178.949 PRESSAVG: 2831600 -49.2353 -33.7859 -7.45967 -33.7859 71.2435 -14.693 -7.45961 -14.693 -6.64609 GPRESSAVG: 2831600 -49.0515 -35.1672 -6.04692 -34.1241 71.2601 -16.1823 -8.03457 -16.2666 -6.54316 TIMING: 2831600 CPU: 8942.52, 0.003146/step Wall: 8942.52, 0.003146/step, 1.89494 hours remaining, 235.597656 MB of memory in use. ENERGY: 2831600 4065.9240 20606.6435 14337.8679 250.0788 -204197.9415 2995.9768 0.0000 0.0000 51950.7246 -109990.7259 298.5615 -161941.4505 -109622.2533 298.7245 45.9173 70.3359 761866.4218 5.1207 5.2218 PRESSURE: 2831800 -195.855 31.674 83.7838 31.6739 -180.335 -141.948 83.7839 -141.95 -115.049 GPRESSURE: 2831800 -232.332 -10.7639 42.2469 125.14 -134.139 -66.7451 97.7204 -112.705 -52.0365 PRESSAVG: 2831800 -26.4644 1.46826 -46.2202 1.46815 16.8979 -28.5849 -46.2203 -28.5849 -26.6037 GPRESSAVG: 2831800 -24.9113 2.45371 -46.9069 0.856332 17.0617 -26.8153 -46.5033 -28.5282 -28.0481 TIMING: 2831800 CPU: 8943.15, 0.00312688/step Wall: 8943.15, 0.00312688/step, 1.88325 hours remaining, 235.597656 MB of memory in use. ENERGY: 2831800 4054.6054 20645.6999 14456.6171 215.8152 -203645.2721 2493.3346 0.0000 0.0000 52003.9775 -109775.2223 298.8676 -161779.1999 -109404.0182 298.6337 -163.7465 -139.5025 761789.2820 -12.0567 -11.9659 PRESSURE: 2832000 -642.009 -25.8723 -47.0241 -25.8721 -224.61 -36.4427 -47.0239 -36.442 -166.564 GPRESSURE: 2832000 -601.081 -57.4877 -73.839 -58.2417 -174.705 29.7572 -82.6731 -77.3214 -177.887 PRESSAVG: 2832000 -36.3367 -18.8844 22.7274 -18.8844 9.64262 -59.2648 22.7273 -59.2648 20.9251 GPRESSAVG: 2832000 -37.3848 -18.9371 23.6318 -18.0997 8.63005 -59.7248 23.2348 -58.5476 22.6772 TIMING: 2832000 CPU: 8943.77, 0.0031316/step Wall: 8943.77, 0.0031316/step, 1.88592 hours remaining, 235.597656 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: 2832000 4027.4947 20613.2653 14400.3348 256.7639 -203643.8359 2667.9554 0.0000 0.0000 52170.5244 -109507.4975 299.8247 -161678.0219 -109142.9874 298.6736 -344.3943 -317.8910 761649.9903 -1.9230 -2.0258 PRESSURE: 2832200 -96.0457 -24.5833 -153.587 -24.5833 -28.8777 -47.2068 -153.588 -47.2076 112.271 GPRESSURE: 2832200 -12.1484 123.993 -99.6035 -2.71749 -30.9645 -99.6167 -229.565 -44.4292 106.45 PRESSAVG: 2832200 -44.5884 -23.1074 12.1738 -23.1075 36.0947 -35.3493 12.1739 -35.3492 31.1365 GPRESSAVG: 2832200 -43.6786 -22.6719 9.94313 -22.3519 36.6626 -35.7888 12.024 -35.736 29.9739 TIMING: 2832200 CPU: 8944.4, 0.0031284/step Wall: 8944.4, 0.0031284/step, 1.88382 hours remaining, 235.597656 MB of memory in use. ENERGY: 2832200 3982.1890 20651.2525 14415.1536 236.4703 -203419.4013 2572.6701 0.0000 0.0000 51970.7957 -109590.8702 298.6769 -161561.6659 -109224.2300 299.2402 -4.2173 21.1123 761295.5936 7.5476 7.6526 LDB: ============= START OF LOAD BALANCING ============== 8956.93 LDB: ============== END OF LOAD BALANCING =============== 8956.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8956.93 LDB: ============= START OF LOAD BALANCING ============== 8957.25 LDB: Largest compute 7058 load 0.032651 is 16.7% of average load 0.195589 LDB: Average compute 0.004359 is 2.2% of average load 0.195589 LDB: TIME 8957.25 LOAD: AVG 0.195589 MAX 0.216547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 8957.25 LOAD: AVG 0.195589 MAX 0.216547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: TIME 8957.25 LOAD: AVG 0.195589 MAX 0.216547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.168 MB LDB: ============== END OF LOAD BALANCING =============== 8957.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8957.26 PRESSURE: 2832400 186.873 141.857 -44.0278 141.857 12.3436 156.983 -44.0272 156.981 84.0718 GPRESSURE: 2832400 228.738 188.96 -36.8843 181.893 85.6752 116.352 -165.723 160.097 43.7697 PRESSAVG: 2832400 7.36982 -68.1207 11.7175 -68.1207 -12.7913 46.5122 11.7175 46.5122 15.3726 GPRESSAVG: 2832400 7.04468 -69.4611 12.364 -68.6017 -13.2117 45.115 11.7416 46.1107 15.7055 TIMING: 2832400 CPU: 8945.04, 0.00321574/step Wall: 8945.04, 0.00321574/step, 1.93624 hours remaining, 234.851562 MB of memory in use. ENERGY: 2832400 4011.8464 20524.3406 14465.7825 246.9652 -203461.4212 2620.7942 0.0000 0.0000 51951.3543 -109640.3380 298.5651 -161591.6923 -109278.2965 298.6098 94.4295 119.3943 759339.5252 3.3171 3.1795 PRESSURE: 2832600 -160.874 72.8898 -234.326 72.8892 -135.054 52.3885 -234.326 52.3868 -205.351 GPRESSURE: 2832600 -144.918 82.6966 -236.049 81.0467 -133.805 120.327 -139.757 193.08 -154.515 PRESSAVG: 2832600 21.0095 -45.237 3.70823 -45.237 33.9036 9.4403 3.70824 9.44029 -15.4558 GPRESSAVG: 2832600 20.7036 -44.7306 3.14864 -47.1363 34.0228 9.60386 3.37359 9.17412 -15.0769 TIMING: 2832600 CPU: 8945.67, 0.00313682/step Wall: 8945.67, 0.00313682/step, 1.88854 hours remaining, 234.851562 MB of memory in use. ENERGY: 2832600 3998.5076 20569.4086 14450.5237 231.9497 -203080.6578 2318.2438 0.0000 0.0000 51957.5874 -109554.4370 298.6010 -161512.0244 -109189.8703 298.8319 -167.0931 -144.4124 761319.5981 13.1525 13.2165 PRESSURE: 2832800 60.3674 -6.55783 102.735 -6.55754 -201.224 -130.595 102.735 -130.595 -201.516 GPRESSURE: 2832800 132.44 3.15112 106.335 50.7015 -232.976 -189.365 64.3237 -111.556 -170.716 PRESSAVG: 2832800 -18.4448 -18.6226 -6.79588 -18.6227 -29.7565 17.3117 -6.79594 17.3117 5.63298 GPRESSAVG: 2832800 -18.3851 -18.6752 -7.74547 -19.0595 -29.5091 16.8492 -6.43786 18.1155 5.7108 TIMING: 2832800 CPU: 8946.3, 0.00316597/step Wall: 8946.3, 0.00316597/step, 1.90591 hours remaining, 234.851562 MB of memory in use. ENERGY: 2832800 4069.6790 20324.0103 14474.4291 245.9025 -203206.3435 2472.9048 0.0000 0.0000 51954.8038 -109664.6139 298.5850 -161619.4178 -109299.7624 299.1255 -114.1245 -90.4174 761638.1930 -14.1895 -14.0611 PRESSURE: 2833000 0.994367 -173.808 135.33 -173.809 -11.685 18.0051 135.329 18.005 330.009 GPRESSURE: 2833000 11.3616 -92.6316 74.8463 -48.8847 87.493 -31.9043 85.1399 20.9191 304.118 PRESSAVG: 2833000 -9.14066 -18.0884 10.6433 -18.0885 -33.6338 -39.2778 10.6433 -39.2777 14.3567 GPRESSAVG: 2833000 -9.66224 -18.3611 11.5644 -15.0531 -32.9564 -37.3617 9.48842 -38.0682 14.1432 TIMING: 2833000 CPU: 8946.93, 0.00314701/step Wall: 8946.93, 0.00314701/step, 1.89433 hours remaining, 234.851562 MB of memory in use. ENERGY: 2833000 4027.0960 20499.1746 14428.5554 241.2314 -203629.3066 2814.8778 0.0000 0.0000 52122.9830 -109495.3883 299.5515 -161618.3713 -109133.2545 299.1115 106.4395 134.3243 762224.4033 -9.4726 -9.4918 PRESSURE: 2833200 312.853 210.772 -13.0738 210.772 23.3003 114.592 -13.0734 114.592 313.875 GPRESSURE: 2833200 417.314 78.8782 27.6686 150.674 26.3072 174.252 -39.7303 45.2927 279.383 PRESSAVG: 2833200 -42.641 44.2537 -58.7653 44.2537 30.3386 47.1597 -58.7653 47.1597 -4.8615 GPRESSAVG: 2833200 -41.1625 45.343 -58.2184 41.9516 29.5728 46.7191 -58.184 44.496 -5.4719 TIMING: 2833200 CPU: 8947.56, 0.00315509/step Wall: 8947.56, 0.00315509/step, 1.89901 hours remaining, 234.851562 MB of memory in use. ENERGY: 2833200 4033.3533 20653.9649 14440.8698 223.9969 -203790.4950 2781.5039 0.0000 0.0000 52039.8390 -109616.9672 299.0737 -161656.8062 -109256.2662 298.9387 216.6760 241.0013 761366.1197 -5.7213 -5.6872 PRESSURE: 2833400 282.396 7.3173 98.0493 7.31723 -150.518 133.888 98.0497 133.888 30.9388 GPRESSURE: 2833400 293.348 50.6846 79.579 -43.8153 -104.589 147.563 246.384 61.0064 67.8603 PRESSAVG: 2833400 -12.2285 -45.3295 0.939053 -45.3295 0.63796 -41.5569 0.939074 -41.5569 -13.8385 GPRESSAVG: 2833400 -12.8891 -44.5716 0.0228405 -42.5402 0.331775 -42.2929 3.39942 -41.3901 -12.7277 TIMING: 2833400 CPU: 8948.19, 0.00316416/step Wall: 8948.19, 0.00316416/step, 1.9043 hours remaining, 234.851562 MB of memory in use. ENERGY: 2833400 3971.7970 20515.5540 14425.9258 245.6472 -203712.5180 2831.9726 0.0000 0.0000 52217.6655 -109503.9559 300.0956 -161721.6214 -109140.3148 299.0952 54.2723 85.5396 761140.0422 -8.4763 -8.4283 PRESSURE: 2833600 155.738 53.9143 -27.5978 53.9138 17.8185 -141.751 -27.5984 -141.751 -229.702 GPRESSURE: 2833600 182.216 61.3705 -28.8883 -55.2052 67.6575 -99.7013 -16.6411 -95.4684 -211.285 PRESSAVG: 2833600 20.2054 -16.3998 8.3292 -16.3998 -41.1862 -5.54493 8.32921 -5.5449 -22.6309 GPRESSAVG: 2833600 20.0218 -16.8106 8.12858 -19.8702 -40.6746 -5.87453 6.90168 -4.84299 -23.3579 TIMING: 2833600 CPU: 8948.83, 0.00316994/step Wall: 8948.83, 0.00316994/step, 1.9076 hours remaining, 234.851562 MB of memory in use. ENERGY: 2833600 4010.8084 20578.4108 14426.4857 240.3718 -203700.7071 2852.3739 0.0000 0.0000 51908.2732 -109683.9832 298.3176 -161592.2564 -109317.6281 298.7202 -18.7149 12.8627 760529.1327 -14.5372 -14.6702 PRESSURE: 2833800 184.036 -153.859 -38.0738 -153.859 65.1497 -217.51 -38.0734 -217.512 -380.7 GPRESSURE: 2833800 260.142 -115.502 -87.4215 -90.5106 -16.0114 -191.49 1.53556 -156.826 -280.393 PRESSAVG: 2833800 63.6035 16.3168 -54.1107 16.3167 -21.5119 -62.1801 -54.1107 -62.1801 -1.67248 GPRESSAVG: 2833800 63.4318 15.0919 -52.5822 19.2424 -21.9398 -62.7364 -55.8416 -61.3887 -1.10204 TIMING: 2833800 CPU: 8949.46, 0.00318257/step Wall: 8949.46, 0.00318257/step, 1.91502 hours remaining, 234.851562 MB of memory in use. ENERGY: 2833800 3977.1955 20438.7337 14493.3351 244.5164 -203692.4626 2575.3238 0.0000 0.0000 52129.8381 -109833.5201 299.5909 -161963.3582 -109468.1022 298.6110 -43.8381 -12.0874 760172.3159 13.4730 13.4633 PRESSURE: 2834000 -18.0763 101.005 -224.223 101.005 228.885 120.964 -224.223 120.963 585.117 GPRESSURE: 2834000 -52.4821 83.5171 -139.187 99.5376 315.016 144.602 -155.94 28.0776 624.572 PRESSAVG: 2834000 69.493 -42.3616 28.3579 -42.3616 -34.6975 21.3801 28.3579 21.3801 11.0501 GPRESSAVG: 2834000 68.7292 -42.4412 28.3331 -42.5834 -34.1998 22.7769 29.8658 18.157 11.0029 TIMING: 2834000 CPU: 8950.09, 0.00313768/step Wall: 8950.09, 0.00313768/step, 1.88784 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: 2834000 3917.9458 20389.0562 14492.3109 254.3021 -203953.2811 2897.3282 0.0000 0.0000 52263.9238 -109738.4142 300.3615 -162002.3379 -109373.6311 298.5741 265.3085 295.7021 760305.1960 15.2819 15.1774 PRESSURE: 2834200 -74.8618 172.398 -1.01695 172.398 251.981 -120.346 -1.01678 -120.345 -344.688 GPRESSURE: 2834200 -141.034 124.084 -10.3216 100.092 282.223 -141.011 -71.8405 -205.238 -237.348 PRESSAVG: 2834200 50.9749 31.6351 -4.20854 31.6352 -78.4506 -3.50856 -4.20858 -3.50846 35.0882 GPRESSAVG: 2834200 51.0817 33.2253 -2.81131 28.802 -77.8367 -3.38186 -4.72175 -2.32274 34.5694 TIMING: 2834200 CPU: 8950.72, 0.00312815/step Wall: 8950.72, 0.00312815/step, 1.88193 hours remaining, 234.851562 MB of memory in use. ENERGY: 2834200 3911.0348 20568.2882 14450.3865 267.5808 -203530.9626 2566.6386 0.0000 0.0000 51934.5750 -109832.4587 298.4687 -161767.0337 -109469.9932 298.8918 -55.8563 -32.0532 760922.0616 2.5375 2.6048 PRESSURE: 2834400 -11.9886 250.52 -140.582 250.52 33.2587 -142.433 -140.583 -142.432 124.426 GPRESSURE: 2834400 20.8591 95.237 -133.148 242.287 43.1627 -141.805 -75.6451 -145.863 173.818 PRESSAVG: 2834400 74.7483 35.0912 -42.706 35.0913 5.14507 3.63788 -42.706 3.63786 -18.5782 GPRESSAVG: 2834400 75.7506 34.5926 -44.8404 35.3191 4.11589 2.1999 -43.3627 4.75766 -18.4206 TIMING: 2834400 CPU: 8951.35, 0.00316716/step Wall: 8951.35, 0.00316716/step, 1.90522 hours remaining, 234.851562 MB of memory in use. ENERGY: 2834400 4060.0634 20502.4418 14459.2701 234.8451 -203405.3616 2534.6585 0.0000 0.0000 51930.7945 -109683.2883 298.4470 -161614.0828 -109316.6851 298.8578 48.5654 79.2801 760134.4582 20.4384 20.4820 PRESSURE: 2834600 69.1722 -3.74877 79.2731 -3.74982 172.196 -58.4956 79.2731 -58.4952 -70.132 GPRESSURE: 2834600 102.884 78.1165 106.974 -61.1953 184.857 -41.2826 45.22 -36.5385 -39.0743 PRESSAVG: 2834600 83.6727 7.52016 38.7699 7.52019 -25.4001 -7.01955 38.7699 -7.01952 -5.86704 GPRESSAVG: 2834600 82.9841 7.70326 40.7449 8.24018 -25.0848 -7.96857 40.5909 -6.94393 -5.1558 TIMING: 2834600 CPU: 8951.98, 0.0031523/step Wall: 8951.98, 0.0031523/step, 1.89611 hours remaining, 234.851562 MB of memory in use. ENERGY: 2834600 4019.9436 20535.0673 14489.6290 240.6373 -203615.5119 2722.5320 0.0000 0.0000 51838.6813 -109769.0214 297.9176 -161607.7026 -109409.9802 298.5828 57.0786 82.8889 759977.9194 17.4685 17.5812 PRESSURE: 2834800 -139.551 233.214 -166.166 233.214 -311.005 43.9692 -166.167 43.9681 -189.794 GPRESSURE: 2834800 -170.88 233.203 -140.213 254.43 -247.694 31.9154 -89.8569 41.796 -144.497 PRESSAVG: 2834800 42.6366 -17.0884 39.2252 -17.0884 -21.1339 -32.562 39.2252 -32.5621 13.9321 GPRESSAVG: 2834800 43.1534 -17.8398 38.9888 -14.6209 -21.3641 -29.7534 39.2189 -33.3921 13.3142 TIMING: 2834800 CPU: 8952.61, 0.00313876/step Wall: 8952.61, 0.00313876/step, 1.88779 hours remaining, 234.851562 MB of memory in use. ENERGY: 2834800 3967.6170 20725.7104 14560.4403 250.1418 -203723.9238 2516.5761 0.0000 0.0000 52022.5744 -109680.8639 298.9745 -161703.4383 -109320.2231 298.1912 -213.4497 -187.6905 760562.4373 11.8116 11.7011 PRESSURE: 2835000 -101.209 79.8447 -79.4688 79.8449 110.044 127.335 -79.469 127.336 -327.315 GPRESSURE: 2835000 -117.096 79.0131 -99.1584 113.477 169.952 160.214 -64.0254 110.889 -299.107 PRESSAVG: 2835000 0.61577 2.69351 6.42027 2.69352 7.47849 41.8626 6.42019 41.8626 -12.0006 GPRESSAVG: 2835000 0.901247 4.45511 6.00832 -0.964578 6.71459 39.6119 6.91509 42.5533 -11.4789 TIMING: 2835000 CPU: 8953.24, 0.0031456/step Wall: 8953.24, 0.0031456/step, 1.89173 hours remaining, 234.851562 MB of memory in use. ENERGY: 2835000 3993.5734 20782.7492 14493.5817 251.1737 -203441.3938 2514.9527 0.0000 0.0000 51879.8612 -109525.5019 298.1543 -161405.3631 -109165.3812 298.8900 -106.1604 -82.0836 762283.7353 -1.3021 -1.2877 PRESSURE: 2835200 -123.795 -149.449 255.966 -149.449 -189.166 46.7361 255.965 46.7365 3.51466 GPRESSURE: 2835200 -90.9036 4.00954 217.156 -78.5474 -94.2563 131.088 140.685 2.54683 -54.3365 PRESSAVG: 2835200 38.4286 -3.08065 -47.7308 -3.08059 -21.8607 -24.4252 -47.7309 -24.4252 -29.7331 GPRESSAVG: 2835200 38.7006 -3.02094 -47.8948 -0.760485 -21.6167 -21.9123 -50.1864 -26.3405 -30.6683 TIMING: 2835200 CPU: 8953.87, 0.00316399/step Wall: 8953.87, 0.00316399/step, 1.90261 hours remaining, 234.851562 MB of memory in use. ENERGY: 2835200 4106.7009 20522.0992 14505.8122 278.3403 -203485.3465 2720.8194 0.0000 0.0000 52050.1686 -109301.4060 299.1330 -161351.5746 -108946.6280 299.0370 -103.1487 -79.8321 763460.3814 -4.3884 -4.5282 PRESSURE: 2835400 -213.461 0.684801 -30.2893 0.683855 0.13188 -206.549 -30.2897 -206.549 -25.3637 GPRESSURE: 2835400 -101.146 -38.3859 -25.5071 -134.665 2.54133 -199.012 23.5004 -211.346 -46.6641 PRESSAVG: 2835400 42.0649 33.2765 -24.1529 33.2766 -35.0157 28.7143 -24.1529 28.7143 -14.8464 GPRESSAVG: 2835400 40.9868 31.4014 -23.9525 32.7836 -35.4326 26.2264 -22.5887 31.3406 -13.7539 TIMING: 2835400 CPU: 8954.5, 0.00315999/step Wall: 8954.5, 0.00315999/step, 1.90003 hours remaining, 235.054688 MB of memory in use. ENERGY: 2835400 4008.4678 20557.2843 14365.4051 233.6620 -203509.9098 2872.4701 0.0000 0.0000 52226.6053 -109246.0153 300.1470 -161472.6205 -108885.6051 299.9880 -79.5642 -48.4229 763693.4340 -2.5991 -2.7332 PRESSURE: 2835600 204.993 28.7182 238.938 28.7181 45.3618 -204.303 238.938 -204.303 -89.0081 GPRESSURE: 2835600 302.413 15.455 230.027 42.4844 92.7736 -129.366 179.912 -278.262 -134.02 PRESSAVG: 2835600 -4.53349 -13.1276 23.9017 -13.1276 -36.7361 18.385 23.9017 18.385 -5.5766 GPRESSAVG: 2835600 -3.45243 -12.3641 22.7314 -12.1118 -37.8606 19.1768 24.4851 17.8142 -5.39902 TIMING: 2835600 CPU: 8955.13, 0.00313617/step Wall: 8955.13, 0.00313617/step, 1.88554 hours remaining, 235.054688 MB of memory in use. ENERGY: 2835600 3989.9167 20519.4822 14501.8085 246.8745 -203416.8808 2657.6529 0.0000 0.0000 52239.1140 -109262.0319 300.2189 -161501.1458 -108891.2236 299.3856 53.7823 87.0555 762932.8967 -15.6154 -15.5707 PRESSURE: 2835800 4.54018 -121.666 -76.5056 -121.665 -141.501 133.088 -76.5057 133.088 -290.47 GPRESSURE: 2835800 0.803639 -138.599 -89.8499 -59.3031 -67.6132 211.656 -248.884 18.6858 -267.361 PRESSAVG: 2835800 54.4481 13.1961 -27.9712 13.1961 -57.554 35.9255 -27.9712 35.9257 0.881804 GPRESSAVG: 2835800 54.2827 14.1959 -27.0792 12.52 -56.4281 34.994 -28.5184 35.9108 -0.210582 TIMING: 2835800 CPU: 8955.76, 0.00313867/step Wall: 8955.76, 0.00313867/step, 1.88686 hours remaining, 235.054688 MB of memory in use. ENERGY: 2835800 4078.3011 20462.6164 14460.5696 266.0438 -203437.4070 2762.9621 0.0000 0.0000 52095.7788 -109311.1353 299.3952 -161406.9142 -108946.5880 299.3017 -142.4767 -111.3903 761657.5878 -0.7414 -0.7853 PRESSURE: 2836000 -191.591 38.9587 -31.854 38.9589 -169.532 95.6146 -31.8537 95.6147 -165.118 GPRESSURE: 2836000 -156.859 68.2007 -22.3517 2.42915 -157.15 87.9426 -112.02 5.35491 -127.707 PRESSAVG: 2836000 15.9749 -63.8575 -40.1784 -63.8575 13.0784 -3.14324 -40.1784 -3.14326 -11.0714 GPRESSAVG: 2836000 16.0418 -64.1475 -40.9369 -64.5041 11.6117 -2.7783 -38.8011 -2.14716 -9.83174 TIMING: 2836000 CPU: 8956.39, 0.00313614/step Wall: 8956.39, 0.00313614/step, 1.88517 hours remaining, 235.054688 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: 2836000 3851.1360 20447.9842 14486.0004 247.1062 -203140.9309 2617.7789 0.0000 0.0000 52052.9469 -109437.9782 299.1490 -161490.9251 -109084.3254 298.9626 -175.4138 -147.2385 762924.0959 5.9940 5.9406 PRESSURE: 2836200 53.3498 -21.6377 -270.882 -21.6364 -111.104 -392.038 -270.881 -392.038 268.793 GPRESSURE: 2836200 129.562 196.444 -300.382 -25.5189 -112.624 -339.312 -240.307 -237.578 294.925 PRESSAVG: 2836200 0.390079 7.4549 20.3207 7.45491 -57.1563 -4.50757 20.3208 -4.50759 8.69719 GPRESSAVG: 2836200 0.369012 5.32055 21.0961 9.31271 -55.6351 -5.08732 18.0147 -5.50786 7.76454 TIMING: 2836200 CPU: 8957.01, 0.00312653/step Wall: 8957.01, 0.00312653/step, 1.87922 hours remaining, 235.054688 MB of memory in use. ENERGY: 2836200 3974.4300 20382.5837 14425.6822 252.6075 -203326.2779 2707.6907 0.0000 0.0000 52124.9832 -109458.3005 299.5630 -161583.2837 -109101.7402 298.7055 70.3463 103.9543 762862.3233 -16.0230 -15.8339 LDB: ============= START OF LOAD BALANCING ============== 8969.54 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8969.54 LDB: =============== DONE WITH MIGRATION ================ 8969.54 LDB: ============= START OF LOAD BALANCING ============== 8969.85 LDB: Largest compute 7058 load 0.033236 is 17.0% of average load 0.195628 LDB: Average compute 0.004349 is 2.2% of average load 0.195628 LDB: TIME 8969.86 LOAD: AVG 0.195628 MAX 0.214821 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.133 MB LDB: TIME 8969.86 LOAD: AVG 0.195628 MAX 0.214821 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.133 MB LDB: TIME 8969.86 LOAD: AVG 0.195628 MAX 0.214821 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.133 MB LDB: ============== END OF LOAD BALANCING =============== 8969.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8969.86 PRESSURE: 2836400 58.6507 45.708 187.096 45.7085 63.0264 -105.832 187.096 -105.831 18.9272 GPRESSURE: 2836400 66.5041 17.2387 187.395 39.3459 89.0842 -39.4211 291.128 -43.6828 95.6092 PRESSAVG: 2836400 30.6339 26.4353 -11.5326 26.4353 -21.4514 18.4433 -11.5326 18.4433 3.68149 GPRESSAVG: 2836400 31.2406 27.7055 -12.4413 26.3375 -22.25 18.7365 -8.56526 20.2126 3.67744 TIMING: 2836400 CPU: 8957.65, 0.00318576/step Wall: 8957.65, 0.00318576/step, 1.91464 hours remaining, 234.648438 MB of memory in use. ENERGY: 2836400 3972.7388 20471.2166 14404.5487 228.3193 -203322.9060 2676.2623 0.0000 0.0000 51940.0262 -109629.7942 298.5000 -161569.8204 -109261.1967 298.7833 46.8681 83.7325 762093.0696 4.2880 4.2227 PRESSURE: 2836600 -100.334 -130 -125.169 -130 -134.084 -151.773 -125.17 -151.775 66.1882 GPRESSURE: 2836600 -96.4392 -91.5428 -167.879 -64.2804 -53.5847 -235.388 -86.1542 -56.2201 75.4076 PRESSAVG: 2836600 -16.5386 -42.267 -8.46087 -42.267 14.3013 -26.1648 -8.46086 -26.1648 -8.21748 GPRESSAVG: 2836600 -17.5052 -43.9877 -8.38159 -41.3398 14.9039 -26.0266 -10.3921 -29.5316 -7.81096 TIMING: 2836600 CPU: 8958.28, 0.003145/step Wall: 8958.28, 0.003145/step, 1.88997 hours remaining, 234.910156 MB of memory in use. ENERGY: 2836600 4008.8528 20409.4358 14493.9122 254.2691 -203457.5367 2867.1423 0.0000 0.0000 51879.5256 -109544.3988 298.1523 -161423.9244 -109172.3927 298.6847 -56.0766 -24.8721 762994.8981 -3.4849 -3.4707 PRESSURE: 2836800 150.079 -67.5166 -52.6973 -67.5162 -306.034 -36.7987 -52.6972 -36.7994 -35.0272 GPRESSURE: 2836800 121.927 -76.8739 -16.5153 -29.5479 -207.893 -68.4579 -220.699 28.6504 -30.9026 PRESSAVG: 2836800 -1.49913 3.55562 12.1489 3.55555 -28.631 23.8843 12.1489 23.8843 -9.88398 GPRESSAVG: 2836800 -2.49059 4.80522 11.8241 2.93729 -26.949 22.7153 11.3055 26.811 -10.6103 TIMING: 2836800 CPU: 8958.9, 0.00313155/step Wall: 8958.9, 0.00313155/step, 1.88171 hours remaining, 234.976562 MB of memory in use. ENERGY: 2836800 4052.5036 20432.4387 14533.1804 244.5711 -203495.4476 2812.6897 0.0000 0.0000 52063.5351 -109356.5289 299.2099 -161420.0640 -108990.3980 298.9138 -63.6608 -38.9559 762388.6011 -13.3380 -13.3500 PRESSURE: 2837000 -248.753 -213.797 -46.1854 -213.798 -197.255 85.2677 -46.1851 85.2686 -267.564 GPRESSURE: 2837000 -217.406 -116.573 -93.4127 -165.386 -119.003 79.5623 31.3351 133.126 -303.055 PRESSAVG: 2837000 75.476 -2.46258 3.8238 -2.46254 -42.3472 2.77076 3.82373 2.77075 15.5906 GPRESSAVG: 2837000 76.5532 -3.14304 5.41756 -1.80793 -42.94 2.85162 4.64805 1.12384 14.627 TIMING: 2837000 CPU: 8959.53, 0.00313797/step Wall: 8959.53, 0.00313797/step, 1.8854 hours remaining, 234.976562 MB of memory in use. ENERGY: 2837000 3948.2764 20663.0220 14499.2603 233.6296 -203208.3691 2475.0565 0.0000 0.0000 52055.9345 -109333.1898 299.1662 -161389.1243 -108974.4065 298.9887 -237.8576 -213.1544 762398.7596 16.2398 16.0801 PRESSURE: 2837200 447.714 -43.3801 72.4336 -43.381 -1.43724 -224.669 72.4336 -224.67 -506.035 GPRESSURE: 2837200 441.464 8.08892 32.4743 -32.0901 67.4652 -167.513 79.2672 -213.265 -492.483 PRESSAVG: 2837200 -46.2878 24.5171 -56.019 24.5171 23.5546 -49.2133 -56.019 -49.2133 -11.1234 GPRESSAVG: 2837200 -46.3062 25.7609 -57.7674 21.3425 23.4626 -47.6693 -55.3397 -48.3749 -10.57 TIMING: 2837200 CPU: 8960.16, 0.00315178/step Wall: 8960.16, 0.00315178/step, 1.89352 hours remaining, 234.976562 MB of memory in use. ENERGY: 2837200 4027.8587 20525.4640 14498.4659 254.5520 -203183.4141 2781.3826 0.0000 0.0000 51785.4358 -109310.2551 297.6116 -161095.6909 -108953.8489 299.1631 -19.9193 5.4823 762985.6419 -11.2855 -11.1379 PRESSURE: 2837400 -60.6746 -13.189 -97.0724 -13.1888 227.751 -155.742 -97.0726 -155.742 -20.0388 GPRESSURE: 2837400 -32.563 -22.8798 -83.353 -112.09 108.199 -94.1592 -47.1974 -38.8539 152.323 PRESSAVG: 2837400 -2.44156 17.5945 -60.6296 17.5945 31.0916 -3.73174 -60.6296 -3.73175 -2.26206 GPRESSAVG: 2837400 -2.78737 16.2438 -59.8874 19.7916 29.9634 -3.25694 -62.3549 -3.43762 -1.20763 TIMING: 2837400 CPU: 8960.79, 0.00313751/step Wall: 8960.79, 0.00313751/step, 1.88477 hours remaining, 235.210938 MB of memory in use. ENERGY: 2837400 4047.4645 20419.6345 14488.1337 245.9223 -203639.1219 2971.0875 0.0000 0.0000 52022.3902 -109444.4891 298.9734 -161466.8793 -109087.3680 299.4424 49.0127 75.9863 762409.1310 8.7960 8.6561 PRESSURE: 2837600 -17.3928 6.84806 -129.411 6.84762 -358.778 -225.245 -129.411 -225.245 -20.9798 GPRESSURE: 2837600 -4.97367 -15.632 -116.649 -96.438 -279.882 -82.8426 -97.6827 -349.616 -18.2292 PRESSAVG: 2837600 53.0446 34.1598 -67.6653 34.1598 -46.5395 -17.3895 -67.6653 -17.3895 -26.4249 GPRESSAVG: 2837600 54.6161 34.9299 -67.2004 32.3212 -46.8514 -18.7911 -67.685 -19.9382 -27.3717 TIMING: 2837600 CPU: 8961.42, 0.00315476/step Wall: 8961.42, 0.00315476/step, 1.89496 hours remaining, 235.210938 MB of memory in use. ENERGY: 2837600 4002.4642 20425.0928 14454.3509 244.9671 -203402.5314 2684.9793 0.0000 0.0000 52092.9283 -109497.7489 299.3788 -161590.6772 -109145.2767 298.7463 -132.3835 -101.0282 762254.6409 -6.6399 -6.5357 PRESSURE: 2837800 -234.182 123.648 41.4601 123.648 -76.2763 182.913 41.4605 182.912 -225.534 GPRESSURE: 2837800 -153.454 -25.4142 107.303 79.3771 -50.7853 199.352 67.1201 142.148 -269.242 PRESSAVG: 2837800 61.4491 -34.437 22.8582 -34.437 -116.666 -62.5633 22.8583 -62.5634 -2.92369 GPRESSAVG: 2837800 61.5903 -36.0484 21.6955 -32.6235 -116.724 -63.5095 24.4239 -61.5445 -3.50208 TIMING: 2837800 CPU: 8962.05, 0.00314916/step Wall: 8962.05, 0.00314916/step, 1.89142 hours remaining, 235.210938 MB of memory in use. ENERGY: 2837800 4034.1203 20371.3682 14534.6774 244.1035 -203334.3839 2769.1507 0.0000 0.0000 51925.6448 -109455.3189 298.4174 -161380.9637 -109098.9933 298.8257 -178.6640 -157.8272 761167.2734 -19.3802 -19.5454 PRESSURE: 2838000 91.8906 -267.869 102.105 -267.869 -268.703 -48.6359 102.105 -48.6368 -542.191 GPRESSURE: 2838000 38.4815 -181.49 28.6893 -221.446 -138.158 43.3581 95.6007 19.6488 -539.165 PRESSAVG: 2838000 68.5113 3.48811 31.6259 3.48811 -43.7936 -20.8893 31.6258 -20.8893 -1.19887 GPRESSAVG: 2838000 67.6646 6.68588 33.8719 3.5729 -42.6507 -20.2255 28.7357 -19.5916 -1.09558 TIMING: 2838000 CPU: 8962.68, 0.00314221/step Wall: 8962.68, 0.00314221/step, 1.88707 hours remaining, 235.210938 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: 2838000 4074.1811 20484.2733 14407.0179 260.6926 -203458.7390 2755.4913 0.0000 0.0000 52111.0909 -109365.9918 299.4832 -161477.0828 -109001.9535 298.6970 -239.6678 -212.9471 762998.3312 7.8396 7.9728 PRESSURE: 2838200 -88.3764 30.5005 -161.976 30.4992 -274.173 -142.633 -161.976 -142.633 47.5157 GPRESSURE: 2838200 -63.1972 2.90878 -169.124 94.0007 -246.445 -117.268 -118.03 -85.1484 61.3776 PRESSAVG: 2838200 17.3996 44.1064 8.80524 44.1063 -22.3951 -26.6808 8.80515 -26.6808 7.25462 GPRESSAVG: 2838200 16.4854 43.0684 7.05779 41.6269 -22.5796 -26.1056 9.73704 -27.9053 7.60978 TIMING: 2838200 CPU: 8963.3, 0.00313335/step Wall: 8963.3, 0.00313335/step, 1.88158 hours remaining, 235.210938 MB of memory in use. ENERGY: 2838200 3971.2392 20419.8303 14485.1232 229.6586 -203388.9090 2538.1350 0.0000 0.0000 52185.9522 -109558.9705 299.9134 -161744.9227 -109192.4403 298.7207 -105.0112 -82.7549 761237.8118 0.7530 0.5052 PRESSURE: 2838400 -47.1857 -151.834 143.476 -151.834 -57.3905 -88.3904 143.475 -88.3901 -171.402 GPRESSURE: 2838400 -14.3675 -52.1954 167.582 -10.9659 -25.0639 -116.557 25.2738 -107.834 -148.23 PRESSAVG: 2838400 24.7133 51.4209 66.5812 51.4209 -47.4397 6.32827 66.5812 6.32821 10.9622 GPRESSAVG: 2838400 24.4963 52.2537 67.4439 52.535 -47.0661 4.84478 67.689 4.37796 11.7915 TIMING: 2838400 CPU: 8963.94, 0.00315169/step Wall: 8963.94, 0.00315169/step, 1.89242 hours remaining, 235.210938 MB of memory in use. ENERGY: 2838400 4003.7288 20441.7667 14487.0899 259.2819 -203134.5297 2539.1690 0.0000 0.0000 51912.2549 -109491.2386 298.3404 -161403.4935 -109132.7380 298.7873 -91.9927 -62.5539 762557.0394 -3.9214 -3.5928 PRESSURE: 2838600 -128.165 72.1491 91.9618 72.1491 154.836 125.094 91.9622 125.094 358.218 GPRESSURE: 2838600 -27.1477 -6.30763 130.219 29.5441 150.749 179.124 71.5262 215.461 339.571 PRESSAVG: 2838600 -1.62084 38.8257 67.0339 38.8257 24.2906 -54.9258 67.0339 -54.9259 14.7667 GPRESSAVG: 2838600 -0.428458 35.3332 65.1686 40.8405 24.3975 -54.8268 67.7754 -52.7483 12.7786 TIMING: 2838600 CPU: 8964.57, 0.0031628/step Wall: 8964.57, 0.0031628/step, 1.89891 hours remaining, 235.210938 MB of memory in use. ENERGY: 2838600 4006.8638 20548.3708 14413.6069 222.0093 -203390.8546 2574.1111 0.0000 0.0000 52300.8013 -109325.0914 300.5734 -161625.8927 -108969.1492 299.4360 128.2965 154.3906 761533.2531 12.4788 12.2492 PRESSURE: 2838800 -193.762 -29.0724 74.0277 -29.0732 -307.793 -44.6688 74.0279 -44.6686 -351.283 GPRESSURE: 2838800 -173.94 -38.5734 87.8362 -114.368 -303.225 -107.717 -0.341769 -34.869 -282.263 PRESSAVG: 2838800 -7.76034 -3.64666 24.4808 -3.64668 3.46765 2.27963 24.4808 2.2797 -8.53803 GPRESSAVG: 2838800 -8.40159 -3.09361 26.4914 -4.06778 1.96704 2.61339 22.4637 2.15334 -6.69028 TIMING: 2838800 CPU: 8965.2, 0.00316707/step Wall: 8965.2, 0.00316707/step, 1.9013 hours remaining, 235.210938 MB of memory in use. ENERGY: 2838800 4023.1718 20429.1200 14439.0822 251.8804 -203191.9972 2473.2424 0.0000 0.0000 52138.2185 -109437.2817 299.6391 -161575.5003 -109074.1722 299.5777 -284.2792 -253.1428 762468.7767 -4.2769 -4.3749 PRESSURE: 2839000 -124.656 195.437 -198.57 195.436 103.335 147.277 -198.57 147.277 8.76218 GPRESSURE: 2839000 -121.456 99.2211 -173.437 90.007 168.035 248.116 -107.917 247.89 24.6014 PRESSAVG: 2839000 25.6926 -2.1408 -2.41993 -2.14077 -4.33254 54.9569 -2.41993 54.9569 8.6939 GPRESSAVG: 2839000 25.4731 -2.64291 -2.80153 -2.87482 -1.84446 54.6506 -3.61521 57.1846 6.93816 TIMING: 2839000 CPU: 8965.83, 0.00315967/step Wall: 8965.83, 0.00315967/step, 1.89668 hours remaining, 235.210938 MB of memory in use. ENERGY: 2839000 3959.7945 20523.7875 14451.7569 240.8712 -203338.2275 2665.6201 0.0000 0.0000 51869.5677 -109626.8295 298.0951 -161496.3973 -109275.0929 299.1693 -4.1861 23.7268 762910.7157 10.0180 10.1889 PRESSURE: 2839200 -217.39 -45.1137 164.543 -45.1133 82.9461 -7.55943 164.542 -7.5603 72.9175 GPRESSURE: 2839200 -246.027 28.3409 113.355 27.6316 176.123 -120.29 244.157 -10.0024 86.1014 PRESSAVG: 2839200 -38.2668 12.752 -10.5873 12.752 16.168 35.5889 -10.5873 35.5888 5.15792 GPRESSAVG: 2839200 -38.5018 15.2661 -10.2889 13.1375 14.407 34.6695 -7.98987 33.8 7.1539 TIMING: 2839200 CPU: 8966.46, 0.003141/step Wall: 8966.46, 0.003141/step, 1.8853 hours remaining, 235.210938 MB of memory in use. ENERGY: 2839200 3944.2613 20427.2845 14461.7468 230.1161 -203212.9822 2506.8370 0.0000 0.0000 51866.5813 -109776.1551 298.0780 -161642.7364 -109419.1127 298.4743 -20.5088 5.3993 762515.8291 -5.6470 -5.6470 PRESSURE: 2839400 -220.677 103.029 -127.229 103.028 -106.138 78.4334 -127.228 78.4336 95.0141 GPRESSURE: 2839400 -187.743 -58.8789 -89.0789 68.457 -73.4047 -69.8201 -148.295 -21.1241 104.007 PRESSAVG: 2839400 -0.581005 -37.0122 -4.45129 -37.0122 39.3236 -7.1091 -4.45133 -7.10917 -17.9343 GPRESSAVG: 2839400 -1.06852 -36.1181 -4.76641 -38.7954 40.5709 -6.77111 -5.22869 -7.18179 -18.7803 TIMING: 2839400 CPU: 8967.09, 0.00316732/step Wall: 8967.09, 0.00316732/step, 1.90092 hours remaining, 235.210938 MB of memory in use. ENERGY: 2839400 3902.2065 20537.2728 14409.8673 243.0443 -203403.5080 2520.9182 0.0000 0.0000 51883.5141 -109906.6848 298.1753 -161790.1989 -109541.1046 297.8661 -77.2670 -52.3800 762039.1704 6.9361 6.9074 PRESSURE: 2839600 -77.3314 -251.959 87.7955 -251.959 244.611 -56.1897 87.7957 -56.1891 -215.448 GPRESSURE: 2839600 8.51509 -203.117 -6.09578 -114.352 267.829 -49.9392 142.33 6.24595 -230.963 PRESSAVG: 2839600 -4.13218 -69.1424 4.13683 -69.1424 15.8161 -29.1457 4.13682 -29.1457 37.7292 GPRESSAVG: 2839600 -3.38456 -69.8408 3.44549 -68.5076 14.8132 -29.4462 4.53914 -28.2628 37.5157 TIMING: 2839600 CPU: 8967.73, 0.00315947/step Wall: 8967.73, 0.00315946/step, 1.89603 hours remaining, 235.210938 MB of memory in use. ENERGY: 2839600 3965.3893 20598.3234 14495.1426 248.6759 -203730.7091 2823.5483 0.0000 0.0000 51819.0611 -109780.5685 297.8049 -161599.6296 -109422.9766 298.1697 -16.0563 15.1270 762349.8141 16.4711 16.3148 PRESSURE: 2839800 0.680037 144.526 -207.927 144.526 -257.363 -55.2416 -207.927 -55.2421 -291.043 GPRESSURE: 2839800 68.5131 75.0096 -132.412 82.0689 -220.674 -127.105 -124.158 98.2678 -281.581 PRESSAVG: 2839800 -52.9224 -44.2503 -12.6033 -44.2503 20.033 13.4028 -12.6033 13.4028 19.4148 GPRESSAVG: 2839800 -52.6977 -44.94 -13.0113 -43.7768 20.1215 15.1363 -13.6585 12.6894 19.6418 TIMING: 2839800 CPU: 8968.36, 0.00316542/step Wall: 8968.36, 0.00316542/step, 1.89943 hours remaining, 235.210938 MB of memory in use. ENERGY: 2839800 3993.8832 20422.9334 14460.2920 228.9695 -203095.5543 2446.7667 0.0000 0.0000 51661.8232 -109880.8863 296.9012 -161542.7095 -109520.9026 297.8854 -182.5754 -144.5804 762576.3947 -4.4916 -4.3115 PRESSURE: 2840000 -146.58 -219.373 -94.5184 -219.372 103.058 -70.5111 -94.5191 -70.5102 -184.416 GPRESSURE: 2840000 -66.518 -188.799 -46.4366 -162.902 74.7134 2.89589 17.7189 -134.592 -186.468 PRESSAVG: 2840000 1.9954 -55.9044 -62.8376 -55.9044 27.0569 23.9078 -62.8376 23.908 5.39021 GPRESSAVG: 2840000 2.02286 -55.9855 -61.1628 -56.4779 27.7046 22.3736 -62.2594 26.2415 5.31804 TIMING: 2840000 CPU: 8968.99, 0.00315143/step Wall: 8968.99, 0.00315143/step, 1.89086 hours remaining, 235.210938 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: 2840000 3904.8479 20568.6535 14409.1029 243.2053 -202933.3575 2338.2530 0.0000 0.0000 51530.6811 -109938.6139 296.1475 -161469.2950 -109582.8409 297.8026 -75.9792 -59.4242 762790.2857 11.4808 11.6818 PRESSURE: 2840200 140.709 164.234 160.936 164.234 216.586 35.6924 160.937 35.6929 283.516 GPRESSURE: 2840200 231.555 206.989 203.852 131.481 242.109 -22.4717 115.169 4.32545 238.832 PRESSAVG: 2840200 -60.8096 -25.7619 28.7118 -25.7619 39.9751 -34.4117 28.7118 -34.4117 0.902958 GPRESSAVG: 2840200 -60.3603 -27.1268 28.6931 -24.8047 38.8039 -34.6337 30.0924 -36.7671 1.62411 TIMING: 2840200 CPU: 8969.62, 0.00316504/step Wall: 8969.62, 0.00316504/step, 1.89885 hours remaining, 235.210938 MB of memory in use. ENERGY: 2840200 3926.4019 20450.0152 14404.9713 251.5072 -203357.5403 2638.8250 0.0000 0.0000 51804.5493 -109881.2704 297.7215 -161685.8197 -109529.2764 298.3600 213.6036 237.4987 762872.0911 -6.6438 -6.6441 LDB: ============= START OF LOAD BALANCING ============== 8982.16 LDB: ============== END OF LOAD BALANCING =============== 8982.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8982.16 LDB: ============= START OF LOAD BALANCING ============== 8982.48 LDB: Largest compute 7058 load 0.034217 is 17.5% of average load 0.195539 LDB: Average compute 0.004384 is 2.2% of average load 0.195539 LDB: TIME 8982.48 LOAD: AVG 0.195539 MAX 0.213711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.418 MB LDB: TIME 8982.48 LOAD: AVG 0.195539 MAX 0.213711 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: TIME 8982.48 LOAD: AVG 0.195539 MAX 0.213711 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.586 MB LDB: ============== END OF LOAD BALANCING =============== 8982.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8982.49 PRESSURE: 2840400 117.143 -135.588 -109.649 -135.588 90.9579 -51.9022 -109.648 -51.9022 -43.6395 GPRESSURE: 2840400 55.7121 -98.5995 -132.261 -79.1989 178.662 -33.5581 -19.5147 32.7845 20.8919 PRESSAVG: 2840400 -21.0011 16.0997 70.5266 16.0998 36.3536 -10.9901 70.5265 -10.9901 -0.803114 GPRESSAVG: 2840400 -22.4476 17.252 68.7358 14.048 38.5081 -10.7689 70.8285 -10.9239 -1.01577 TIMING: 2840400 CPU: 8970.27, 0.00323291/step Wall: 8970.27, 0.00323291/step, 1.93938 hours remaining, 236.164062 MB of memory in use. ENERGY: 2840400 3965.8124 20572.9481 14412.5915 235.3997 -203985.0477 2823.6618 0.0000 0.0000 52218.4721 -109756.1621 300.1003 -161974.6343 -109394.9350 299.1868 54.8205 85.0886 762027.1510 4.8498 5.0149 PRESSURE: 2840600 44.7455 66.1398 85.2056 66.1393 -5.31462 122.01 85.2059 122.009 114.973 GPRESSURE: 2840600 117.528 44.9791 26.874 -71.2494 18.7073 75.1927 1.85684 -56.9441 95.4936 PRESSAVG: 2840600 -32.8406 -34.4566 -37.765 -34.4566 37.7237 -27.0536 -37.765 -27.0535 20.2302 GPRESSAVG: 2840600 -33.339 -33.7446 -37.9589 -31.7396 37.8044 -28.474 -38.0388 -26.2393 20.3668 TIMING: 2840600 CPU: 8970.9, 0.00314302/step Wall: 8970.9, 0.00314302/step, 1.88529 hours remaining, 236.164062 MB of memory in use. ENERGY: 2840600 4063.0877 20491.5688 14398.3748 254.7719 -203558.4901 2978.3720 0.0000 0.0000 51890.5298 -109481.7851 298.2156 -161372.3148 -109112.1187 299.6404 51.4681 77.2430 764945.4269 8.3711 8.2774 PRESSURE: 2840800 -110.953 15.3157 90.1647 15.3161 -65.8608 105.179 90.1646 105.18 -64.7579 GPRESSURE: 2840800 -7.49937 -86.6061 -12.0677 32.4385 -21.9537 63.6957 73.0708 87.7542 -124.56 PRESSAVG: 2840800 -13.6107 7.82676 34.1941 7.82676 25.8982 -37.5178 34.1942 -37.5179 -8.65632 GPRESSAVG: 2840800 -11.4715 6.22735 35.5368 8.15383 25.4084 -36.4634 33.7498 -38.7594 -9.88163 TIMING: 2840800 CPU: 8971.52, 0.00312712/step Wall: 8971.52, 0.00312712/step, 1.87558 hours remaining, 236.164062 MB of memory in use. ENERGY: 2840800 3972.6954 20570.7373 14443.3540 264.6243 -203186.2567 2597.3978 0.0000 0.0000 52098.6762 -109238.7718 299.4118 -161337.4480 -108872.0253 299.3289 -80.5239 -51.3378 763122.2476 1.2104 1.3517 PRESSURE: 2841000 -58.516 -172.297 -148.141 -172.297 -157.7 -0.426977 -148.141 -0.42708 -357.273 GPRESSURE: 2841000 -124.302 -112.345 -84.5607 -325.248 -91.2564 -10.1632 14.011 76.9819 -268.182 PRESSAVG: 2841000 -15.6098 -65.74 30.1975 -65.7399 14.4038 2.8821 30.1975 2.8821 7.22612 GPRESSAVG: 2841000 -15.3892 -63.1614 29.4513 -66.3259 13.9999 4.41545 29.2124 3.4818 6.99716 TIMING: 2841000 CPU: 8972.15, 0.00315095/step Wall: 8972.15, 0.00315095/step, 1.8897 hours remaining, 236.164062 MB of memory in use. ENERGY: 2841000 3976.2195 20589.2049 14388.5772 253.6590 -203295.4899 2380.7545 0.0000 0.0000 52196.6999 -109510.3749 299.9752 -161707.0748 -109144.4254 299.4100 -191.1627 -161.2468 761791.3741 2.0067 1.8693 PRESSURE: 2841200 17.7805 -147.28 -124.092 -147.278 170.828 -36.2617 -124.092 -36.2614 150.99 GPRESSURE: 2841200 55.9718 -133.18 -142.473 111.939 270.467 -64.5528 -7.12161 -9.49988 107.799 PRESSAVG: 2841200 -8.40528 -12.1754 1.45193 -12.1754 17.4838 2.25139 1.45199 2.25142 -3.39974 GPRESSAVG: 2841200 -8.72199 -14.7391 1.19479 -11.6677 17.9109 2.31506 3.52027 2.24847 -3.44808 TIMING: 2841200 CPU: 8972.78, 0.00314013/step Wall: 8972.78, 0.00314013/step, 1.88303 hours remaining, 236.164062 MB of memory in use. ENERGY: 2841200 3923.0079 20492.6053 14371.5895 251.6946 -203666.2492 2932.6906 0.0000 0.0000 52217.5201 -109477.1412 300.0948 -161694.6613 -109116.0127 299.5437 113.1995 144.7458 761029.0854 1.8929 1.9136 PRESSURE: 2841400 -278.504 -180.998 69.5638 -180.999 -137.176 139.341 69.5627 139.34 -288 GPRESSURE: 2841400 -204.405 -146.971 105.008 -210.981 -146.761 139.025 -58.6643 189.494 -268.779 PRESSAVG: 2841400 -81.0466 -36.9944 23.3485 -36.9943 88.6798 5.13334 23.3485 5.13335 -6.17897 GPRESSAVG: 2841400 -81.2183 -36.9595 24.225 -36.2177 87.7812 4.61602 21.642 5.44432 -5.81957 TIMING: 2841400 CPU: 8973.41, 0.00314294/step Wall: 8973.41, 0.00314294/step, 1.88454 hours remaining, 236.164062 MB of memory in use. ENERGY: 2841400 3979.4878 20550.5663 14322.2631 259.0342 -203491.1593 2622.4765 0.0000 0.0000 52139.8934 -109617.4379 299.6487 -161757.3313 -109250.2904 299.0808 -234.5599 -206.6484 761413.3164 0.4847 0.2478 PRESSURE: 2841600 83.7201 149.608 106.602 149.608 -57.6292 191.1 106.6 191.099 -609.849 GPRESSURE: 2841600 29.7655 91.309 52.4582 214.379 43.2249 161.22 107.487 185.581 -587.999 PRESSAVG: 2841600 -25.3525 7.66994 51.8462 7.67001 -3.95688 15.6728 51.8462 15.6729 -7.06401 GPRESSAVG: 2841600 -23.6575 8.68952 51.7071 6.47661 -4.69213 17.1285 50.9902 12.8144 -7.7267 TIMING: 2841600 CPU: 8974.03, 0.00311992/step Wall: 8974.03, 0.00311992/step, 1.87057 hours remaining, 236.164062 MB of memory in use. ENERGY: 2841600 3985.1778 20515.9800 14450.1001 250.8998 -203560.1995 2612.6334 0.0000 0.0000 52014.0738 -109731.3345 298.9256 -161745.4084 -109372.3766 299.2649 -194.5860 -171.6697 761193.1267 -12.1245 -12.0255 PRESSURE: 2841800 -282.795 -157.913 24.5283 -157.913 -470.806 -391.175 24.5286 -391.174 -340.574 GPRESSURE: 2841800 -314.138 -198.6 -7.67718 -210.46 -321.462 -400.966 73.8723 -279.114 -371.845 PRESSAVG: 2841800 -9.34483 54.8971 -29.4752 54.8971 -4.92323 -14.3999 -29.4752 -14.3998 -1.99255 GPRESSAVG: 2841800 -10.1723 55.6903 -30.068 53.475 -3.80983 -15.9981 -29.4343 -11.8741 -1.60917 TIMING: 2841800 CPU: 8974.67, 0.00315428/step Wall: 8974.67, 0.00315428/step, 1.89099 hours remaining, 236.164062 MB of memory in use. ENERGY: 2841800 3998.1518 20415.3426 14443.1535 243.8614 -203123.7584 2410.6833 0.0000 0.0000 51927.6487 -109684.9170 298.4289 -161612.5657 -109327.9550 298.5780 -364.7249 -335.8149 763429.1076 -5.4202 -5.1971 PRESSURE: 2842000 -301.745 -98.8309 29.4232 -98.831 -309.489 -102.749 29.4238 -102.749 257.147 GPRESSURE: 2842000 -201.238 54.3125 111.118 -95.3531 -249.062 -128.797 -13.1338 -22.8336 163.341 PRESSAVG: 2842000 40.1506 -22.601 -7.09263 -22.601 -82.44 19.1766 -7.09259 19.1766 -8.29744 GPRESSAVG: 2842000 40.0219 -24.6484 -6.04937 -20.1393 -81.4493 19.6658 -7.32068 20.9434 -8.80921 TIMING: 2842000 CPU: 8975.29, 0.00312862/step Wall: 8975.29, 0.00312862/step, 1.87544 hours remaining, 236.164062 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: 2842000 4021.4985 20623.1601 14404.6964 245.0625 -203281.0546 2559.1242 0.0000 0.0000 51846.6523 -109580.8605 297.9634 -161427.5129 -109225.9608 298.7554 -118.0291 -95.6529 763848.4300 -16.8623 -16.7455 PRESSURE: 2842200 -5.88649 205.839 -176.743 205.839 49.4381 -106.137 -176.744 -106.137 85.6935 GPRESSURE: 2842200 -31.9179 45.6769 -113.376 334.07 72.0004 -33.9619 -73.5166 -82.3726 163.37 PRESSAVG: 2842200 -37.1289 3.37399 -17.9855 3.37399 41.0936 17.7919 -17.9855 17.7918 2.85236 GPRESSAVG: 2842200 -37.8895 3.71192 -17.9652 3.43263 41.8654 19.152 -15.9467 15.6151 3.47424 TIMING: 2842200 CPU: 8975.92, 0.00312457/step Wall: 8975.92, 0.00312457/step, 1.87283 hours remaining, 236.164062 MB of memory in use. ENERGY: 2842200 3988.9818 20583.1498 14414.1359 258.6082 -203549.3741 2937.2898 0.0000 0.0000 51731.5150 -109635.6937 297.3017 -161367.2087 -109279.2644 298.6521 43.0817 67.8174 762697.7233 2.2724 2.4834 PRESSURE: 2842400 -183.533 245.507 20.2371 245.506 136.399 95.6616 20.2376 95.6614 -14.0511 GPRESSURE: 2842400 -87.2534 240.289 58.9962 188.437 103.194 66.1964 -46.2872 161.315 15.4706 PRESSAVG: 2842400 4.6616 -13.1423 -33.9393 -13.1423 29.868 -3.81505 -33.9393 -3.81496 -9.79598 GPRESSAVG: 2842400 5.57952 -12.0863 -35.9869 -14.4641 28.1014 -6.30589 -33.7159 -2.57092 -8.94132 TIMING: 2842400 CPU: 8976.54, 0.00313941/step Wall: 8976.54, 0.00313941/step, 1.88155 hours remaining, 236.164062 MB of memory in use. ENERGY: 2842400 4032.4906 20594.3602 14474.2089 253.6371 -203859.3298 2944.0958 0.0000 0.0000 52138.5410 -109421.9961 299.6409 -161560.5372 -109070.1156 298.9753 -20.3949 10.4705 762031.4035 8.2445 8.2465 PRESSURE: 2842600 -106.912 -85.9023 5.62439 -85.9026 -25.7657 -43.0802 5.62437 -43.0804 -47.3627 GPRESSURE: 2842600 -119.532 -173.624 -1.92944 -88.419 76.7466 -42.1264 85.7012 -70.7272 -59.1273 PRESSAVG: 2842600 8.74887 47.6333 -4.69809 47.6332 38.3099 11.6303 -4.69799 11.6302 5.05771 GPRESSAVG: 2842600 8.16751 47.6902 -2.805 47.8465 39.3539 15.1462 -5.35131 10.9203 3.80935 TIMING: 2842600 CPU: 8977.18, 0.00316481/step Wall: 8977.18, 0.0031648/step, 1.8966 hours remaining, 236.164062 MB of memory in use. ENERGY: 2842600 4014.2084 20662.2383 14469.7166 260.2571 -203453.3806 2557.9732 0.0000 0.0000 51973.7806 -109515.2065 298.6940 -161488.9871 -109155.2969 298.7886 -60.0134 -33.9709 761577.5796 17.3722 17.1103 PRESSURE: 2842800 -247.325 -52.0558 -104.2 -52.0572 170.088 172.725 -104.199 172.725 -81.5803 GPRESSURE: 2842800 -149.106 -107.713 5.93195 -17.4037 159.582 213.359 -183.439 65.6109 -86.3209 PRESSAVG: 2842800 -3.17757 -30.5307 -11.1679 -30.5307 25.0675 -7.22261 -11.1679 -7.22264 10.2383 GPRESSAVG: 2842800 -2.38493 -29.7328 -11.6377 -31.2037 24.7208 -9.00613 -13.8934 -6.63202 9.88249 TIMING: 2842800 CPU: 8977.81, 0.0031579/step Wall: 8977.81, 0.0031579/step, 1.89228 hours remaining, 236.164062 MB of memory in use. ENERGY: 2842800 4002.0064 20591.4706 14419.2747 241.2114 -203492.3104 2485.2260 0.0000 0.0000 52192.3966 -109560.7247 299.9504 -161753.1213 -109195.3303 298.9635 -52.9392 -25.2817 761433.7726 10.7094 10.7395 PRESSURE: 2843000 -3.31431 127.298 -118.817 127.298 -221.552 210.818 -118.816 210.818 456.962 GPRESSURE: 2843000 3.84894 98.21 -113.106 78.603 -180.608 164.314 -164.086 241.345 476.645 PRESSAVG: 2843000 -9.07573 21.3678 6.46072 21.3678 35.9564 6.80276 6.46078 6.80284 1.69394 GPRESSAVG: 2843000 -9.22548 21.9938 6.32562 20.7891 35.3482 6.61072 7.81059 7.09379 2.54038 TIMING: 2843000 CPU: 8978.44, 0.00314964/step Wall: 8978.44, 0.00314964/step, 1.88716 hours remaining, 236.164062 MB of memory in use. ENERGY: 2843000 4002.4786 20595.3000 14406.0008 254.2141 -202964.4558 2458.2715 0.0000 0.0000 51925.9057 -109322.2850 298.4189 -161248.1907 -108954.9697 299.0054 77.3653 99.9620 763567.9555 9.5249 9.5544 PRESSURE: 2843200 185.254 103.285 45.3085 103.284 387.799 17.5041 45.3081 17.5034 122.277 GPRESSURE: 2843200 147.661 97.1325 143.501 67.6604 419.269 82.0199 -101.303 -22.8258 201.091 PRESSAVG: 2843200 19.0088 24.7882 -34.8056 24.7882 20.7232 19.3635 -34.8055 19.3635 -11.2735 GPRESSAVG: 2843200 19.2747 25.2513 -35.0704 24.9915 21.2685 18.4223 -34.3898 18.7086 -11.9521 TIMING: 2843200 CPU: 8979.07, 0.00315238/step Wall: 8979.07, 0.00315238/step, 1.88863 hours remaining, 236.164062 MB of memory in use. ENERGY: 2843200 4012.8014 20529.8917 14502.4953 247.9066 -203122.4764 2601.2091 0.0000 0.0000 51960.3682 -109267.8042 298.6169 -161228.1723 -108909.2469 299.1841 231.7768 256.0070 761992.8579 9.4862 9.5304 PRESSURE: 2843400 -267.865 74.7981 45.8892 74.7984 -319.342 -18.6006 45.889 -18.6008 197.475 GPRESSURE: 2843400 -211.877 90.9994 108.648 -91.9389 -304.892 -34.1703 78.363 2.20261 215.06 PRESSAVG: 2843400 4.64483 -18.9845 0.65023 -18.9844 29.5213 -20.2271 0.650188 -20.227 3.55911 GPRESSAVG: 2843400 4.71173 -19.7513 0.878916 -19.7311 29.2408 -17.4521 -0.0376476 -20.3247 3.89443 TIMING: 2843400 CPU: 8979.7, 0.00314665/step Wall: 8979.7, 0.00314665/step, 1.88502 hours remaining, 236.164062 MB of memory in use. ENERGY: 2843400 4052.3845 20601.4292 14592.6498 238.6659 -202743.2199 2152.8937 0.0000 0.0000 51684.5291 -109420.6678 297.0317 -161105.1970 -109051.6080 299.3535 -129.9106 -100.5695 761693.9697 12.5751 12.6156 PRESSURE: 2843600 -136.741 -4.1197 55.5545 -4.11995 -63.7232 145.163 55.5547 145.163 101.21 GPRESSURE: 2843600 -105.241 4.33138 98.5486 137.873 -18.0831 147.14 94.6572 68.3285 106.86 PRESSAVG: 2843600 -34.1449 35.1739 37.0287 35.1739 54.4552 29.9607 37.0287 29.9607 -3.5753 GPRESSAVG: 2843600 -34.0356 32.5034 36.1057 38.4305 54.9947 27.8456 36.9507 30.4244 -4.07656 TIMING: 2843600 CPU: 8980.33, 0.0031442/step Wall: 8980.33, 0.0031442/step, 1.88338 hours remaining, 236.164062 MB of memory in use. ENERGY: 2843600 4092.3690 20661.6977 14463.8360 244.9663 -203653.0016 2714.5624 0.0000 0.0000 52021.2724 -109454.2977 298.9670 -161475.5701 -109095.6888 299.3266 -33.0846 -5.4882 761990.9415 5.5783 5.6275 PRESSURE: 2843800 -162.974 -81.6763 195.558 -81.6764 253.266 220.707 195.557 220.706 86.986 GPRESSURE: 2843800 -143.431 -102.479 195.159 -15.9555 258.412 204.748 181.485 241.929 142.185 PRESSAVG: 2843800 -20.1235 5.37015 -30.8601 5.37019 27.2546 30.8731 -30.8601 30.8732 14.7408 GPRESSAVG: 2843800 -19.9647 6.74097 -30.3064 4.3296 27.7884 31.5529 -28.7123 31.3145 14.2481 TIMING: 2843800 CPU: 8980.96, 0.00317607/step Wall: 8980.96, 0.00317607/step, 1.90229 hours remaining, 236.164062 MB of memory in use. ENERGY: 2843800 3975.1288 20637.9306 14501.3256 253.8932 -203566.4092 2725.8660 0.0000 0.0000 52028.0215 -109444.2436 299.0058 -161472.2651 -109079.0298 299.0166 59.0924 85.7222 762987.7560 7.2906 7.3573 PRESSURE: 2844000 -261.598 85.2182 68.8627 85.2178 14.5968 -30.9622 68.8632 -30.9621 -114.356 GPRESSURE: 2844000 -218.291 63.2229 39.8999 119.053 55.3009 -34.6774 40.7006 -71.6118 -116.81 PRESSAVG: 2844000 -23.367 -17.6557 -15.3276 -17.6557 6.75511 -3.80152 -15.3276 -3.80141 -3.29392 GPRESSAVG: 2844000 -23.795 -15.6008 -14.2469 -19.714 6.11373 -4.996 -16.571 -0.663793 -2.31887 TIMING: 2844000 CPU: 8981.59, 0.00316494/step Wall: 8981.59, 0.00316494/step, 1.89545 hours remaining, 236.164062 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: 2844000 3954.4089 20589.9755 14461.9031 237.1154 -203433.8051 2575.7369 0.0000 0.0000 52091.4640 -109523.2013 299.3704 -161614.6653 -109160.5407 299.1479 -120.4523 -93.2668 762021.0769 -6.6353 -6.6667 PRESSURE: 2844200 -22.2657 167.216 60.4059 167.216 -128.693 -56.2676 60.4056 -56.2692 -474.509 GPRESSURE: 2844200 -21.434 127.783 26.454 220.006 -113.169 -87.045 -57.3403 -26.6884 -412.88 PRESSAVG: 2844200 -16.8285 55.5725 -28.6586 55.5725 33.9328 -41.5929 -28.6586 -41.5929 -2.85434 GPRESSAVG: 2844200 -18.4129 53.1027 -30.6782 58.9611 34.736 -39.6055 -27.5293 -46.4764 -2.55674 TIMING: 2844200 CPU: 8982.22, 0.00314227/step Wall: 8982.22, 0.00314227/step, 1.88169 hours remaining, 236.164062 MB of memory in use. ENERGY: 2844200 4028.3890 20545.7452 14504.7984 233.7690 -203580.3508 2523.5081 0.0000 0.0000 52186.1010 -109558.0401 299.9142 -161744.1411 -109209.4411 299.6068 -208.4892 -182.4944 761202.0959 4.7500 4.5888 LDB: ============= START OF LOAD BALANCING ============== 8994.75 LDB: ============== END OF LOAD BALANCING =============== 8994.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8994.76 LDB: ============= START OF LOAD BALANCING ============== 8995.07 LDB: Largest compute 7049 load 0.031736 is 16.2% of average load 0.195544 LDB: Average compute 0.004374 is 2.2% of average load 0.195544 LDB: TIME 8995.07 LOAD: AVG 0.195544 MAX 0.21933 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.289 MB LDB: TIME 8995.07 LOAD: AVG 0.195544 MAX 0.21933 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: TIME 8995.08 LOAD: AVG 0.195544 MAX 0.216364 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: ============== END OF LOAD BALANCING =============== 8995.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8995.08 PRESSURE: 2844400 -129.438 -2.02884 6.08853 -2.02925 123.157 -38.376 6.08797 -38.3762 94.6166 GPRESSURE: 2844400 -74.6683 158.487 31.2742 9.92634 166.618 -51.7689 30.6434 112.483 70.8837 PRESSAVG: 2844400 -54.7753 41.6969 54.6085 41.6969 58.0855 -29.8294 54.6085 -29.8295 10.6419 GPRESSAVG: 2844400 -54.7404 42.5211 55.3182 38.5202 58.2296 -32.116 53.6492 -27.3484 9.96765 TIMING: 2844400 CPU: 8982.86, 0.00320747/step Wall: 8982.86, 0.00320747/step, 1.92056 hours remaining, 235.984375 MB of memory in use. ENERGY: 2844400 4007.1604 20502.0385 14469.6596 242.9077 -203967.6414 2905.2148 0.0000 0.0000 52295.9534 -109544.7069 300.5456 -161840.6603 -109184.0717 298.8412 29.4450 54.2779 762291.7500 4.6507 4.4856 PRESSURE: 2844600 -630.767 -4.89645 -195.028 -4.89679 -216.109 -66.6072 -195.027 -66.6073 38.2069 GPRESSURE: 2844600 -489.44 -58.1242 -208.401 18.3678 -239.736 -67.9898 -134.375 15.214 5.49998 PRESSAVG: 2844600 -37.4852 45.0413 84.1023 45.0412 77.4867 -14.8999 84.1024 -14.8998 -5.24989 GPRESSAVG: 2844600 -35.228 43.6699 85.7338 46.9482 75.2408 -14.9203 85.3768 -13.5337 -5.50737 TIMING: 2844600 CPU: 8983.49, 0.00314142/step Wall: 8983.49, 0.00314142/step, 1.88084 hours remaining, 236.390625 MB of memory in use. ENERGY: 2844600 3987.8022 20442.7060 14479.4461 279.9568 -203392.4603 2673.6668 0.0000 0.0000 52045.1343 -109483.7481 299.1041 -161528.8824 -109115.9248 299.3454 -269.5565 -241.2256 762454.7233 11.5839 11.5018 PRESSURE: 2844800 -309.711 152.233 -55.3131 152.234 -192.871 -306.494 -55.3131 -306.495 -6.40166 GPRESSURE: 2844800 -333.99 42.3992 -90.1907 44.617 -149.251 -321.525 -29.433 -198.318 56.7714 PRESSAVG: 2844800 -58.4809 9.93838 -6.89365 9.93839 41.8767 9.81922 -6.89366 9.81917 -30.7539 GPRESSAVG: 2844800 -61.7083 10.9243 -8.73579 7.98638 44.1766 11.4011 -7.25254 9.13318 -29.2481 TIMING: 2844800 CPU: 8984.12, 0.00315088/step Wall: 8984.12, 0.00315088/step, 1.88633 hours remaining, 236.390625 MB of memory in use. ENERGY: 2844800 4030.5952 20524.3932 14529.4737 246.9667 -203391.5865 2608.6961 0.0000 0.0000 51875.5283 -109575.9332 298.1294 -161451.4615 -109217.1915 298.7088 -169.6611 -142.1565 762894.2741 -15.7860 -15.5933 PRESSURE: 2845000 9.6807 216.034 -188.558 216.034 -85.3472 162.459 -188.558 162.458 -358.428 GPRESSURE: 2845000 22.6658 182.303 -51.1676 111.111 -86.7948 134.917 -213.684 126.124 -286.997 PRESSAVG: 2845000 -55.127 49.6464 -13.8948 49.6463 27.6931 6.24747 -13.8948 6.24754 4.69722 GPRESSAVG: 2845000 -54.3468 50.7724 -13.6482 50.7096 27.041 5.60045 -14.1293 3.43843 5.00833 TIMING: 2845000 CPU: 8984.75, 0.00314721/step Wall: 8984.75, 0.00314721/step, 1.88396 hours remaining, 236.390625 MB of memory in use. ENERGY: 2845000 4054.9182 20560.0452 14504.7058 251.1310 -203897.7478 2794.5088 0.0000 0.0000 52013.5918 -109718.8471 298.9228 -161732.4389 -109355.7798 298.9671 -144.6982 -117.0421 762106.8913 -7.5789 -7.4325 PRESSURE: 2845200 105.439 -109.114 -48.2278 -109.115 279.486 88.3464 -48.2266 88.3454 -371.319 GPRESSURE: 2845200 91.3858 -134.203 58.1482 -198.157 291.212 117.395 -113.062 166.375 -282.331 PRESSAVG: 2845200 -17.8809 19.0741 -10.0042 19.0741 31.5297 77.6839 -10.0042 77.6839 -2.20764 GPRESSAVG: 2845200 -17.9436 18.5522 -9.66277 17.5474 31.3403 77.4977 -10.2543 78.9637 -2.56422 TIMING: 2845200 CPU: 8985.39, 0.00316737/step Wall: 8985.39, 0.00316737/step, 1.89584 hours remaining, 236.390625 MB of memory in use. ENERGY: 2845200 3989.3104 20703.6428 14467.9676 266.3829 -203903.9752 2781.1203 0.0000 0.0000 51914.7535 -109780.7978 298.3548 -161695.5513 -109421.3243 298.5394 4.5354 33.4222 761578.5294 3.8137 3.6108 PRESSURE: 2845400 -349.407 -249.288 -15.3562 -249.288 84.8364 33.2538 -15.3559 33.2544 14.6823 GPRESSURE: 2845400 -333.945 -212.937 65.9251 -125.909 62.0492 -30.29 -110.839 7.51843 104.185 PRESSAVG: 2845400 -13.1127 -51.4045 -15.8348 -51.4045 37.3846 48.5608 -15.8348 48.5608 -6.06493 GPRESSAVG: 2845400 -13.3018 -52.628 -15.3176 -49.4581 37.4775 48.8144 -18.1618 51.4726 -5.91559 TIMING: 2845400 CPU: 8986.02, 0.00315792/step Wall: 8986.02, 0.00315792/step, 1.89002 hours remaining, 236.449219 MB of memory in use. ENERGY: 2845400 4008.8518 20530.0414 14470.6912 264.0626 -203978.7249 2865.2367 0.0000 0.0000 51984.4038 -109855.4372 298.7551 -161839.8411 -109487.6935 298.3482 -83.2961 -55.9036 762513.1059 6.0690 6.0867 PRESSURE: 2845600 60.0906 67.4777 1.36514 67.479 188.483 -62.8732 1.36504 -62.8743 172.784 GPRESSURE: 2845600 138.416 97.8013 -114.365 38.1657 212.062 -50.4718 13.5823 5.50472 153.63 PRESSAVG: 2845600 -33.4797 15.4198 -27.0816 15.4198 30.6688 30.0439 -27.0816 30.0439 10.493 GPRESSAVG: 2845600 -33.3398 15.0798 -29.4744 14.8775 30.9012 28.7949 -24.1622 26.9214 10.1934 TIMING: 2845600 CPU: 8986.65, 0.0031459/step Wall: 8986.65, 0.0031459/step, 1.88265 hours remaining, 236.449219 MB of memory in use. ENERGY: 2845600 3973.1558 20531.7236 14436.2131 264.4256 -203708.8977 2956.8023 0.0000 0.0000 52038.1784 -109508.3989 299.0641 -161546.5773 -109147.2849 298.6658 140.4525 168.0363 762312.0589 2.5607 2.5849 PRESSURE: 2845800 -278.408 98.596 -334.418 98.5968 -317.63 -191.042 -334.417 -191.04 -303.961 GPRESSURE: 2845800 -224.894 -15.4443 -381.543 74.7446 -289.062 -252.373 -321.545 -119.545 -289.687 PRESSAVG: 2845800 -51.7992 23.6603 -60.3102 23.6603 28.5479 -1.32131 -60.3101 -1.32129 1.87406 GPRESSAVG: 2845800 -51.0627 22.0067 -58.2229 24.8369 27.4484 1.31576 -60.9476 -1.85581 2.27016 TIMING: 2845800 CPU: 8987.27, 0.00312302/step Wall: 8987.27, 0.00312302/step, 1.86878 hours remaining, 236.449219 MB of memory in use. ENERGY: 2845800 3959.8217 20543.2636 14492.2467 238.4020 -203528.6378 2827.8471 0.0000 0.0000 52105.2199 -109361.8368 299.4494 -161467.0567 -109001.4171 299.1944 -299.9995 -267.8807 762181.4017 -7.1257 -7.1147 PRESSURE: 2846000 82.5046 103.048 -59.2765 103.048 -57.8755 -121.432 -59.2766 -121.433 -24.2576 GPRESSURE: 2846000 96.9127 153.945 -121.42 139.815 18.2378 -147.954 -81.372 -75.3967 -11.6915 PRESSAVG: 2846000 -27.7716 -20.7397 -15.8422 -20.7397 59.0159 -7.87073 -15.8422 -7.87075 28.4513 GPRESSAVG: 2846000 -28.1681 -18.4392 -16.0985 -19.9304 59.0517 -8.90437 -15.1619 -7.90877 28.4991 TIMING: 2846000 CPU: 8987.9, 0.00314953/step Wall: 8987.9, 0.00314953/step, 1.88447 hours remaining, 236.449219 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: 2846000 4025.5367 20474.3751 14439.3568 245.8231 -203346.0872 2799.9023 0.0000 0.0000 52163.0694 -109198.0238 299.7819 -161361.0932 -108834.3121 299.6452 0.1239 34.4864 761662.0871 19.8985 19.7942 PRESSURE: 2846200 -48.4277 -78.5357 -37.199 -78.5362 50.5555 83.0848 -37.199 83.0863 -49.1169 GPRESSURE: 2846200 54.4969 55.5259 36.346 -98.5736 61.9276 76.1621 -179.596 113.412 -81.2604 PRESSAVG: 2846200 24.2574 37.9666 -18.5107 37.9666 3.29912 53.3999 -18.5107 53.3999 -10.2145 GPRESSAVG: 2846200 25.4627 40.4914 -19.0504 36.8829 2.90613 51.9793 -20.6444 54.3823 -10.1054 TIMING: 2846200 CPU: 8988.53, 0.00315446/step Wall: 8988.53, 0.00315446/step, 1.88724 hours remaining, 236.449219 MB of memory in use. ENERGY: 2846200 4024.5018 20586.4124 14528.2266 240.0294 -203209.6133 2773.7606 0.0000 0.0000 51840.9014 -109215.7812 297.9304 -161056.6826 -108852.3306 299.7790 -15.6630 11.7214 762078.9917 5.7807 6.0878 PRESSURE: 2846400 39.0567 175.476 79.1658 175.476 325.694 -6.91866 79.1659 -6.91901 -22.1086 GPRESSURE: 2846400 -24.4673 179.914 88.2695 113.954 359.489 -2.43531 109.676 -51.2156 71.8897 PRESSAVG: 2846400 -46.3105 17.5747 52.4732 17.5747 39.1295 49.8285 52.4732 49.8285 33.563 GPRESSAVG: 2846400 -47.7816 13.3722 54.7907 17.6695 41.3194 50.1714 51.5734 49.23 33.3681 TIMING: 2846400 CPU: 8989.16, 0.00314343/step Wall: 8989.16, 0.00314343/step, 1.88047 hours remaining, 236.449219 MB of memory in use. ENERGY: 2846400 3986.1728 20658.4971 14524.6371 244.9697 -203565.0785 2722.0020 0.0000 0.0000 52002.2943 -109426.5056 298.8579 -161428.7999 -109062.5629 299.0492 114.2140 135.6372 761057.6668 8.7940 8.9687 PRESSURE: 2846600 -116.247 -3.30765 -119.462 -3.3074 -308.02 -110.315 -119.462 -110.315 -15.7618 GPRESSURE: 2846600 -76.7508 44.6466 -86.0755 -16.4986 -331.527 -196.733 -33.3358 -140.025 63.5795 PRESSAVG: 2846600 -45.8643 30.9501 32.9376 30.9502 19.178 -3.52507 32.9377 -3.52497 -3.34884 GPRESSAVG: 2846600 -45.6115 32.0198 30.6215 29.6957 17.3507 -3.07912 33.9655 -1.41678 -2.54519 TIMING: 2846600 CPU: 8989.79, 0.00316871/step Wall: 8989.79, 0.00316871/step, 1.89542 hours remaining, 236.699219 MB of memory in use. ENERGY: 2846600 4013.2782 20660.2160 14472.0400 237.0301 -203336.8105 2636.7848 0.0000 0.0000 51986.3972 -109331.0643 298.7665 -161317.4615 -108973.7713 298.8864 -146.6764 -114.8996 762780.5359 -10.0117 -10.2686 PRESSURE: 2846800 -160.365 28.3851 -33.0747 28.3853 58.4298 49.027 -33.0754 49.0277 -250.894 GPRESSURE: 2846800 -31.6369 97.1835 -121.644 31.7341 54.2953 74.4418 -39.4263 66.8641 -298.136 PRESSAVG: 2846800 -23.8571 -19.8558 17.649 -19.8558 45.692 -50.2229 17.6491 -50.223 7.34697 GPRESSAVG: 2846800 -24.0715 -16.9928 16.2581 -20.5654 45.7386 -50.0786 19.9808 -51.5726 7.63057 TIMING: 2846800 CPU: 8990.42, 0.00313427/step Wall: 8990.42, 0.00313427/step, 1.87464 hours remaining, 236.699219 MB of memory in use. ENERGY: 2846800 3991.6822 20642.1634 14440.8772 252.6962 -203649.4598 2724.7034 0.0000 0.0000 52203.9038 -109393.4336 300.0166 -161597.3374 -109025.0573 299.5567 -117.6098 -91.8258 763726.9863 9.7273 9.7659 PRESSURE: 2847000 -253.031 43.9755 268.149 43.9764 59.8596 -191.306 268.148 -191.305 354.681 GPRESSURE: 2847000 -148.344 -32.9009 312.825 47.8975 46.5994 -172.813 367.324 -55.7857 359.074 PRESSAVG: 2847000 43.8726 5.6919 13.8039 5.69187 -59.3111 17.6691 13.8039 17.6691 1.2798 GPRESSAVG: 2847000 44.3359 5.11134 16.9612 6.52542 -58.542 18.3978 11.1669 17.0346 0.0441702 TIMING: 2847000 CPU: 8991.05, 0.00315111/step Wall: 8991.05, 0.00315111/step, 1.88454 hours remaining, 236.699219 MB of memory in use. ENERGY: 2847000 3982.4272 20409.1983 14413.7484 245.2373 -203449.0543 2696.0471 0.0000 0.0000 52279.5068 -109422.8892 300.4510 -161702.3960 -109059.2436 299.4390 53.8365 85.7765 762088.1672 -4.7196 -4.7206 PRESSURE: 2847200 -71.6402 -47.4348 13.3217 -47.434 91.4155 53.1454 13.3219 53.1454 -38.9036 GPRESSURE: 2847200 50.5118 -68.2909 49.0402 -39.0388 45.0848 88.2927 60.1999 51.7919 -26.2719 PRESSAVG: 2847200 20.5826 -47.5343 24.8057 -47.5343 -15.0846 -17.0845 24.8058 -17.0845 -31.0042 GPRESSAVG: 2847200 20.4718 -49.0888 23.9519 -47.8485 -14.9782 -16.6241 24.8919 -15.7611 -30.9344 TIMING: 2847200 CPU: 8991.68, 0.00314202/step Wall: 8991.68, 0.00314202/step, 1.87893 hours remaining, 236.699219 MB of memory in use. ENERGY: 2847200 4045.1503 20574.8703 14508.7600 239.4896 -203510.4367 2919.2300 0.0000 0.0000 52112.8068 -109110.1296 299.4930 -161222.9364 -108752.7184 299.7277 -6.3761 23.1082 762544.1512 -8.5021 -8.4803 PRESSURE: 2847400 -71.5885 170.341 17.5463 170.34 -39.2473 -57.7713 17.547 -57.7721 -178.84 GPRESSURE: 2847400 -39.8821 167.557 110.366 182.642 6.02433 -38.5361 -105.352 -40.7907 -194.582 PRESSAVG: 2847400 21.8435 -14.7785 -25.8489 -14.7784 21.7973 -14.6334 -25.8489 -14.6333 -5.34397 GPRESSAVG: 2847400 21.6427 -13.6182 -24.882 -14.5027 22.0088 -15.8109 -26.9912 -15.0926 -5.02181 TIMING: 2847400 CPU: 8992.31, 0.00315429/step Wall: 8992.31, 0.00315429/step, 1.88609 hours remaining, 236.699219 MB of memory in use. ENERGY: 2847400 3991.1501 20427.4983 14475.6279 237.3923 -203281.4252 2755.0434 0.0000 0.0000 52212.0144 -109182.6987 300.0632 -161394.7131 -108811.9885 299.7852 -96.5585 -76.1465 763414.2529 12.7656 12.8765 PRESSURE: 2847600 6.47548 -104.339 48.3558 -104.339 5.53789 138.758 48.3564 138.758 -184.42 GPRESSURE: 2847600 79.1303 -76.2875 34.3116 -133.335 31.2135 153.907 79.3916 63.8647 -195.081 PRESSAVG: 2847600 59.2321 -1.8558 11.852 -1.85583 -42.8698 22.698 11.852 22.698 -9.53663 GPRESSAVG: 2847600 60.4493 -2.16412 10.4699 -1.24205 -42.8047 24.1297 14.0183 19.4285 -10.4516 TIMING: 2847600 CPU: 8992.94, 0.0031511/step Wall: 8992.94, 0.0031511/step, 1.88401 hours remaining, 236.699219 MB of memory in use. ENERGY: 2847600 4032.8596 20495.5901 14460.9283 246.6462 -203177.1654 2435.8897 0.0000 0.0000 52137.0590 -109368.1926 299.6324 -161505.2516 -109001.3468 299.5535 -57.4687 -28.2458 761416.7667 2.2752 2.3977 PRESSURE: 2847800 216.031 -76.5606 121.524 -76.5605 -176.28 -201.638 121.524 -201.637 -328.067 GPRESSURE: 2847800 159.072 -28.5732 107.175 -126.496 -98.3417 -136.75 65.2696 -179.476 -260.954 PRESSAVG: 2847800 60.9486 -2.99756 -54.842 -2.99753 -54.3211 1.77112 -54.8421 1.77121 -1.87893 GPRESSAVG: 2847800 60.7624 -4.242 -53.8165 -2.6419 -55.2853 0.771405 -55.9904 5.35897 -0.991953 TIMING: 2847800 CPU: 8993.57, 0.00316369/step Wall: 8993.57, 0.00316369/step, 1.89136 hours remaining, 236.699219 MB of memory in use. ENERGY: 2847800 4066.5098 20574.7683 14388.4582 243.1182 -203467.6292 2648.4005 0.0000 0.0000 52102.2441 -109444.1302 299.4323 -161546.3743 -109085.1681 299.0824 -96.1054 -66.7413 760852.7452 1.5829 1.4950 PRESSURE: 2848000 129.821 22.8919 37.2019 22.8915 7.94278 -247.699 37.2014 -247.7 275.585 GPRESSURE: 2848000 236.338 29.961 26.4784 142.649 31.4694 -232.566 -81.0104 -185.604 237.726 PRESSAVG: 2848000 65.7812 -7.17761 -22.4875 -7.17764 3.00225 -54.4391 -22.4875 -54.4391 19.0051 GPRESSAVG: 2848000 65.3481 -5.23851 -23.4563 -6.63709 3.33028 -53.8683 -23.0748 -55.1076 18.3964 TIMING: 2848000 CPU: 8994.21, 0.00315471/step Wall: 8994.21, 0.00315471/step, 1.88581 hours remaining, 236.699219 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: 2848000 4002.0447 20648.1691 14499.9459 235.2414 -203500.5503 2669.1629 0.0000 0.0000 51963.7559 -109482.2303 298.6364 -161445.9862 -109127.4481 299.4594 137.7829 168.5111 758654.9269 29.2628 29.0249 PRESSURE: 2848200 -115.247 -40.687 225.432 -40.6869 -372.242 117.761 225.432 117.76 -264.339 GPRESSURE: 2848200 -125.35 2.3194 269.249 -14.4182 -263.97 55.6884 201.768 135.359 -281.541 PRESSAVG: 2848200 -5.77201 -17.147 -4.62944 -17.1471 -29.2717 -33.9175 -4.62947 -33.9175 -5.39383 GPRESSAVG: 2848200 -6.01601 -17.4163 -3.19846 -18.2899 -30.6692 -36.2893 -4.99396 -33.8167 -3.74284 TIMING: 2848200 CPU: 8994.83, 0.00314084/step Wall: 8994.83, 0.00314084/step, 1.87735 hours remaining, 236.699219 MB of memory in use. ENERGY: 2848200 3999.4539 20632.7716 14482.8620 242.8931 -203473.8710 2628.2379 0.0000 0.0000 51946.6236 -109541.0289 298.5380 -161487.6524 -109176.0812 298.6239 -250.6093 -223.6203 762236.7152 -13.4792 -13.4760 LDB: ============= START OF LOAD BALANCING ============== 9007.37 LDB: ============== END OF LOAD BALANCING =============== 9007.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9007.37 LDB: ============= START OF LOAD BALANCING ============== 9007.68 LDB: Largest compute 7049 load 0.031190 is 16.0% of average load 0.195482 LDB: Average compute 0.004365 is 2.2% of average load 0.195482 LDB: TIME 9007.68 LOAD: AVG 0.195482 MAX 0.213662 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.977 MB LDB: TIME 9007.69 LOAD: AVG 0.195482 MAX 0.213662 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 9007.69 LOAD: AVG 0.195482 MAX 0.213662 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 9007.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9007.69 PRESSURE: 2848400 216.567 212.699 -251.123 212.699 -146.636 -98.8046 -251.123 -98.8053 -326.17 GPRESSURE: 2848400 141.219 233.882 -270.078 222.75 6.60646 -101.802 -168.132 70.6139 -309.607 PRESSAVG: 2848400 16.2763 42.1764 32.4998 42.1764 -8.60083 -3.82701 32.4998 -3.82696 -29.2499 GPRESSAVG: 2848400 15.7597 42.1074 31.3483 41.994 -6.8541 -0.860481 34.5269 -3.13742 -30.6535 TIMING: 2848400 CPU: 8995.48, 0.00320914/step Wall: 8995.48, 0.00320914/step, 1.918 hours remaining, 236.421875 MB of memory in use. ENERGY: 2848400 4073.7559 20595.3442 14345.3326 228.6891 -203924.8106 2838.4676 0.0000 0.0000 52197.1881 -109646.0331 299.9780 -161843.2211 -109290.9246 298.7309 -85.4132 -53.9273 762094.1786 -7.1915 -7.2493 PRESSURE: 2848600 -100.822 7.19058 434.365 7.18891 118.688 132.041 434.367 132.04 -1.70491 GPRESSURE: 2848600 7.83411 47.0745 436.73 -139.076 135.085 47.2213 381.524 51.191 -30.9508 PRESSAVG: 2848600 -1.46824 -40.6364 20.8861 -40.6364 -49.3576 -21.3827 20.8861 -21.3827 5.72123 GPRESSAVG: 2848600 -0.339863 -39.5017 19.6621 -40.7257 -50.0938 -23.7286 21.2232 -20.3613 5.67718 TIMING: 2848600 CPU: 8996.1, 0.0031285/step Wall: 8996.1, 0.0031285/step, 1.86962 hours remaining, 236.625000 MB of memory in use. ENERGY: 2848600 3992.7696 20578.2999 14371.7575 248.5129 -203719.8521 2915.1897 0.0000 0.0000 51944.6411 -109668.6814 298.5266 -161613.3225 -109306.2882 298.6461 5.3871 37.3228 761013.9659 -15.0349 -14.9188 PRESSURE: 2848800 -544.67 -237.122 -342.974 -237.123 12.6815 30.2809 -342.975 30.2807 -115.06 GPRESSURE: 2848800 -501.145 -224.915 -377.24 -322.337 55.7722 29.4686 -236.886 98.5752 -131.941 PRESSAVG: 2848800 34.011 7.47713 30.9572 7.4771 19.3967 -0.0954348 30.9573 -0.0953797 -26.8588 GPRESSAVG: 2848800 33.4511 5.52753 32.8338 7.41315 18.9756 1.48604 29.8175 -2.59479 -25.9107 TIMING: 2848800 CPU: 8996.73, 0.00314694/step Wall: 8996.73, 0.00314694/step, 1.88047 hours remaining, 236.625000 MB of memory in use. ENERGY: 2848800 4001.3219 20417.6981 14460.7179 244.5585 -203337.3114 2429.1883 0.0000 0.0000 52178.7711 -109605.0557 299.8721 -161783.8268 -109230.0355 298.9632 -215.6828 -192.4377 761210.7700 8.8497 8.8387 PRESSURE: 2849000 -294.773 -28.3717 -54.2548 -28.3723 103.37 29.165 -54.2543 29.1651 -27.4059 GPRESSURE: 2849000 -193.084 -147.252 6.50405 -53.0545 7.4797 55.5926 -238.667 -133.149 43.8655 PRESSAVG: 2849000 -9.52883 -20.7142 -20.5625 -20.7142 -14.623 15.4378 -20.5625 15.4378 4.8169 GPRESSAVG: 2849000 -9.2476 -19.7321 -21.4484 -20.277 -14.0249 16.2374 -21.1484 14.8357 4.49444 TIMING: 2849000 CPU: 8997.36, 0.00313686/step Wall: 8997.36, 0.00313686/step, 1.87428 hours remaining, 236.625000 MB of memory in use. ENERGY: 2849000 4003.7307 20473.1303 14357.7417 252.7455 -203027.7239 2488.8860 0.0000 0.0000 51925.7732 -109525.7165 298.4181 -161451.4898 -109160.3907 299.0960 -72.9363 -47.2461 763608.8011 -6.4450 -6.2594 PRESSURE: 2849200 33.1574 20.8828 -95.0874 20.8837 118.09 347.905 -95.0877 347.906 -352.608 GPRESSURE: 2849200 4.26032 36.2811 -30.6882 30.2612 160.752 318.774 123.158 290.482 -289.048 PRESSAVG: 2849200 -0.11357 47.6131 -35.2922 47.6131 48.3915 -28.3437 -35.2922 -28.3437 -9.34763 GPRESSAVG: 2849200 -0.944185 46.8029 -37.194 48.1827 48.7039 -29.2958 -33.1696 -27.1581 -9.07051 TIMING: 2849200 CPU: 8997.99, 0.00314217/step Wall: 8997.99, 0.00314217/step, 1.87727 hours remaining, 236.625000 MB of memory in use. ENERGY: 2849200 3949.8612 20388.5031 14405.8029 240.8569 -203385.4877 2728.0390 0.0000 0.0000 51971.2058 -109701.2188 298.6792 -161672.4246 -109328.8340 299.3447 -67.1202 -41.3452 762663.2262 12.9768 12.8964 PRESSURE: 2849400 -38.8441 29.7225 -97.2843 29.7222 104.845 -244.184 -97.2845 -244.184 52.6943 GPRESSURE: 2849400 -42.9729 13.158 0.445894 116.342 150.711 -186.1 -174.745 -213.815 96.216 PRESSAVG: 2849400 -53.9238 -4.41877 24.1928 -4.41872 34.7425 0.471586 24.1927 0.471612 -45.257 GPRESSAVG: 2849400 -52.8559 -4.64133 25.5516 -2.64281 33.1907 -0.117054 21.9214 3.27483 -44.7919 TIMING: 2849400 CPU: 8998.62, 0.00315001/step Wall: 8998.62, 0.00315001/step, 1.88178 hours remaining, 236.625000 MB of memory in use. ENERGY: 2849400 4027.7484 20273.3139 14448.0342 246.2636 -203963.9769 3044.0865 0.0000 0.0000 52172.9817 -109751.5486 299.8388 -161924.5302 -109380.3533 299.0496 39.5650 67.9847 761789.5468 -21.4794 -21.4857 PRESSURE: 2849600 -607.259 48.1162 21.4469 48.1153 -320.245 145.309 21.4473 145.309 360.144 GPRESSURE: 2849600 -435.874 -35.1266 44.6643 121.534 -308.221 185.686 -120.82 -17.6767 256.688 PRESSAVG: 2849600 -51.377 -16.4635 -18.9936 -16.4635 32.4803 20.9019 -18.9936 20.9019 -3.50204 GPRESSAVG: 2849600 -51.1584 -15.5229 -18.994 -17.3502 33.5261 22.7062 -19.1894 17.8738 -5.32901 TIMING: 2849600 CPU: 8999.25, 0.00315977/step Wall: 8999.25, 0.00315977/step, 1.88743 hours remaining, 236.625000 MB of memory in use. ENERGY: 2849600 3975.3577 20440.7043 14410.3251 249.0721 -203354.6641 2711.5552 0.0000 0.0000 51963.0897 -109604.5600 298.6326 -161567.6498 -109246.2925 298.8634 -189.1200 -162.4687 765456.5344 -7.4662 -7.6538 PRESSURE: 2849800 -115.411 58.123 36.4505 58.1229 31.4184 -153.755 36.4506 -153.755 -554.146 GPRESSURE: 2849800 -159.403 169.183 19.5534 100.184 117.068 -173.111 41.0344 -34.1623 -512.077 PRESSAVG: 2849800 41.2506 24.6101 -22.1628 24.6101 12.3831 -25.0252 -22.1629 -25.0252 -6.58309 GPRESSAVG: 2849800 40.8714 24.0852 -20.8677 23.7527 12.213 -25.869 -21.6685 -23.04 -5.76638 TIMING: 2849800 CPU: 8999.88, 0.0031474/step Wall: 8999.88, 0.0031474/step, 1.87987 hours remaining, 236.625000 MB of memory in use. ENERGY: 2849800 3925.0076 20371.4440 14508.6049 248.4700 -203563.6177 2717.4039 0.0000 0.0000 52008.9435 -109783.7439 298.8961 -161792.6874 -109416.8425 298.5198 -212.7129 -184.8042 763756.7825 15.6835 15.7727 PRESSURE: 2850000 -129.273 90.4232 -13.046 90.4237 68.39 -5.03482 -13.0458 -5.03391 -35.9306 GPRESSURE: 2850000 -39.2567 72.9203 -34.2663 52.8491 38.241 -74.3413 137.421 -13.1534 -9.33649 PRESSAVG: 2850000 -13.5835 43.4785 1.38309 43.4786 -2.76676 -41.1318 1.38314 -41.1317 -16.7442 GPRESSAVG: 2850000 -13.4379 44.178 -0.390392 43.1971 -3.69841 -41.8788 3.24562 -42.2088 -16.1517 TIMING: 2850000 CPU: 9000.51, 0.00316173/step Wall: 9000.51, 0.00316173/step, 1.88826 hours remaining, 236.625000 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: 2850000 3999.4028 20494.3912 14451.9235 266.5194 -203330.9921 2541.3020 0.0000 0.0000 51666.9720 -109910.4813 296.9308 -161577.4532 -109557.6314 298.2106 -32.2713 -3.4507 763637.6106 -11.0315 -11.0960 PRESSURE: 2850200 -565.564 198.194 -62.3296 198.194 -211.153 44.6673 -62.3297 44.6668 -141.595 GPRESSURE: 2850200 -524.952 167.062 -104.556 255.56 -161.258 21.4842 -66.8565 99.7141 -138.302 PRESSAVG: 2850200 -22.1699 25.1208 16.3361 25.1208 29.1297 -22.99 16.3361 -22.9901 -3.34923 GPRESSAVG: 2850200 -21.4982 24.5605 16.2203 27.674 29.1634 -21.3297 15.3946 -23.7849 -4.56234 TIMING: 2850200 CPU: 9001.14, 0.00314574/step Wall: 9001.14, 0.00314574/step, 1.87853 hours remaining, 236.625000 MB of memory in use. ENERGY: 2850200 4009.1067 20512.4345 14466.2376 250.9477 -203452.8210 2395.8059 0.0000 0.0000 51920.6224 -109897.6662 298.3885 -161818.2886 -109545.1737 298.4092 -306.1038 -274.8373 762183.3889 1.2035 1.0343 PRESSURE: 2850400 -156.341 -120.502 -8.0925 -120.502 219.019 -131.289 -8.09284 -131.288 131.168 GPRESSURE: 2850400 -87.7417 -167.402 106.71 -48.9619 178.145 -135.262 -125.652 -86.9055 175.572 PRESSAVG: 2850400 9.27574 81.0751 -18.3083 81.0752 -18.068 -4.81107 -18.3083 -4.81112 -8.91841 GPRESSAVG: 2850400 8.81861 81.2452 -18.0508 79.2985 -17.7752 -5.6273 -18.9624 -4.83339 -8.5338 TIMING: 2850400 CPU: 9001.77, 0.00317704/step Wall: 9001.77, 0.00317704/step, 1.89705 hours remaining, 236.625000 MB of memory in use. ENERGY: 2850400 4034.4257 20529.2993 14442.7435 224.5368 -203689.0792 2742.0197 0.0000 0.0000 51782.1452 -109933.9090 297.5927 -161716.0542 -109580.1823 298.4860 64.6154 88.6584 760541.0606 -5.9036 -5.8301 PRESSURE: 2850600 114.924 96.024 -178.927 96.024 -294.875 -175.555 -178.927 -175.555 -222.404 GPRESSURE: 2850600 95.531 253.88 -46.9873 177.261 -171.972 -230.043 -93.6547 -96.3894 -221.486 PRESSAVG: 2850600 -65.0826 22.5221 6.23685 22.5221 52.5868 -114.029 6.23685 -114.029 -4.36178 GPRESSAVG: 2850600 -64.8267 22.1717 7.77512 22.7689 52.2579 -114.779 4.45248 -114.542 -4.18449 TIMING: 2850600 CPU: 9002.41, 0.00316087/step Wall: 9002.41, 0.00316087/step, 1.88722 hours remaining, 236.625000 MB of memory in use. ENERGY: 2850600 3986.6173 20536.5065 14375.0571 241.6467 -203796.1566 2710.6854 0.0000 0.0000 51909.2062 -110036.4375 298.3229 -161945.6437 -109671.7892 297.7985 -134.1184 -99.3087 761874.5179 -5.6192 -5.5844 PRESSURE: 2850800 -91.9568 231.212 -127.53 231.212 199.216 -98.0812 -127.53 -98.082 292.775 GPRESSURE: 2850800 -114.865 204.951 -181.232 204.725 235.289 -23.2931 -174.861 -154.637 357.928 PRESSAVG: 2850800 -65.3591 60.8413 -32.4701 60.8413 40.2182 -34.3667 -32.47 -34.3666 13.1433 GPRESSAVG: 2850800 -65.7616 62.2258 -32.8799 60.9761 40.007 -33.471 -32.1826 -34.903 13.8142 TIMING: 2850800 CPU: 9003.03, 0.00314161/step Wall: 9003.03, 0.00314161/step, 1.87554 hours remaining, 236.625000 MB of memory in use. ENERGY: 2850800 3976.0563 20477.6008 14429.7722 244.0698 -203871.6767 2770.1749 0.0000 0.0000 51833.0910 -110140.9117 297.8855 -161974.0027 -109787.3737 297.7490 133.3446 159.4506 761440.9161 -3.9992 -3.9801 PRESSURE: 2851000 -140.854 22.4829 134.991 22.4839 128.917 72.8073 134.991 72.8064 -145.269 GPRESSURE: 2851000 -185.158 -13.9042 91.4454 20.6463 189.086 -6.27195 163.081 40.1017 -78.9062 PRESSAVG: 2851000 -77.7563 43.5922 6.42267 43.5921 32.6343 -34.5613 6.42271 -34.5612 -3.97916 GPRESSAVG: 2851000 -76.7197 42.9173 5.54566 43.606 32.9173 -33.3003 7.0434 -35.6747 -6.04826 TIMING: 2851000 CPU: 9003.67, 0.00316788/step Wall: 9003.67, 0.00316788/step, 1.89105 hours remaining, 236.625000 MB of memory in use. ENERGY: 2851000 4004.5107 20582.8505 14438.6128 237.9422 -203676.0922 2736.7785 0.0000 0.0000 51804.0206 -109871.3769 297.7184 -161675.3975 -109510.0372 298.0227 -52.4019 -24.9928 763126.9811 -16.3670 -16.6169 PRESSURE: 2851200 131.769 -78.3385 -56.0729 -78.3386 -27.5927 -124.063 -56.0733 -124.062 -71.8401 GPRESSURE: 2851200 162.662 -74.0456 -228.939 -7.36713 -12.6367 -21.7272 132.231 -207.953 -22.1873 PRESSAVG: 2851200 8.28226 -16.4494 13.8223 -16.4494 45.7477 -16.148 13.8222 -16.148 9.75784 GPRESSAVG: 2851200 7.07161 -16.7697 13.5592 -16.4729 45.8903 -16.5327 15.1765 -14.605 10.8802 TIMING: 2851200 CPU: 9004.3, 0.00315331/step Wall: 9004.3, 0.00315331/step, 1.88218 hours remaining, 236.625000 MB of memory in use. ENERGY: 2851200 4019.7634 20544.5047 14492.0156 255.8775 -204025.1396 2893.2755 0.0000 0.0000 52032.8437 -109786.8592 299.0335 -161819.7029 -109422.6676 298.5095 10.7789 42.6126 762259.9641 21.2626 21.2807 PRESSURE: 2851400 -120.969 -80.8326 197.756 -80.8326 -235.935 212.22 197.756 212.22 -450.116 GPRESSURE: 2851400 -84.3129 -48.3129 188.633 -115.861 -223.991 30.1682 81.9532 286.87 -411.636 PRESSAVG: 2851400 -21.1253 46.4924 -21.0761 46.4924 10.4375 2.23238 -21.076 2.23236 14.1784 GPRESSAVG: 2851400 -19.5045 46.5556 -19.8262 45.6919 8.92428 -1.07778 -21.6517 3.9151 14.2821 TIMING: 2851400 CPU: 9004.93, 0.00316201/step Wall: 9004.93, 0.00316201/step, 1.88719 hours remaining, 236.625000 MB of memory in use. ENERGY: 2851400 4017.4358 20645.4713 14383.3481 226.4735 -203664.3729 2775.7236 0.0000 0.0000 52027.2913 -109588.6293 299.0016 -161615.9206 -109231.9571 299.3792 -269.0066 -239.9800 763629.0339 1.1635 1.2340 PRESSURE: 2851600 -163.462 -116.329 -100.789 -116.329 -82.1991 118.386 -100.789 118.385 -59.5712 GPRESSURE: 2851600 -126.134 -150.215 12.2431 -111.734 -47.1923 69.0591 -43.3728 156.106 -69.8605 PRESSAVG: 2851600 -21.3874 27.1265 6.20367 27.1265 -2.8429 38.8369 6.20368 38.8369 16.7991 GPRESSAVG: 2851600 -22.4107 27.486 6.88527 25.8316 -1.06283 40.166 5.15797 39.1549 15.8196 TIMING: 2851600 CPU: 9005.56, 0.00316344/step Wall: 9005.56, 0.00316344/step, 1.88787 hours remaining, 236.625000 MB of memory in use. ENERGY: 2851600 3955.1918 20422.6114 14507.7212 251.8753 -203606.4070 2820.0401 0.0000 0.0000 51955.1554 -109693.8119 298.5870 -161648.9673 -109327.7496 298.4190 -101.7441 -81.0624 763632.6355 -2.4771 -2.5513 PRESSURE: 2851800 59.5946 31.1477 -11.0475 31.1479 -315.634 -164.762 -11.0483 -164.764 -252.971 GPRESSURE: 2851800 0.88242 38.4517 -48.4628 -77.296 -203.345 -204.681 61.9671 -10.5664 -191.78 PRESSAVG: 2851800 -25.4721 2.50206 -2.99844 2.50205 50.749 61.2034 -2.99841 61.2034 8.11741 GPRESSAVG: 2851800 -25.4084 2.18854 -5.52976 5.69081 49.4079 62.4735 -1.15067 59.3284 9.13452 TIMING: 2851800 CPU: 9006.19, 0.00315294/step Wall: 9006.19, 0.00315294/step, 1.88143 hours remaining, 236.625000 MB of memory in use. ENERGY: 2851800 4093.1631 20522.1719 14377.0083 245.5124 -203427.0310 3004.9063 0.0000 0.0000 51809.7333 -109374.5356 297.7512 -161184.2690 -109016.4206 299.5833 -169.6702 -131.4143 763828.6048 11.1314 11.0447 PRESSURE: 2852000 -243.977 -36.2123 -31.4139 -36.212 -186.277 146.869 -31.4137 146.87 -83.3576 GPRESSURE: 2852000 -147.719 3.96376 -61.2117 -50.9184 -192.019 131.69 -63.9299 111.699 -101.888 PRESSAVG: 2852000 -77.8357 -33.5705 25.1055 -33.5705 -3.05002 7.78434 25.1055 7.78439 -4.75371 GPRESSAVG: 2852000 -77.8479 -33.3619 25.3807 -34.3137 -0.644898 7.55024 22.9976 8.44666 -6.72386 TIMING: 2852000 CPU: 9006.83, 0.00316066/step Wall: 9006.83, 0.00316066/step, 1.88586 hours remaining, 236.625000 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: 2852000 4019.8617 20596.2892 14404.2540 240.5699 -203281.1436 2571.1695 0.0000 0.0000 52212.6852 -109236.3141 300.0670 -161448.9993 -108870.8646 299.9089 -171.2037 -147.2089 763515.7925 -28.5465 -28.4056 PRESSURE: 2852200 -60.9501 -89.1982 189.89 -89.1981 136.017 58.8328 189.89 58.8329 198.867 GPRESSURE: 2852200 -28.1283 -105.723 196.785 7.75763 215.241 63.8858 219.383 46.1725 159.916 PRESSAVG: 2852200 21.9724 5.56647 -22.8521 5.56655 -27.7553 53.6362 -22.852 53.6361 -1.4442 GPRESSAVG: 2852200 23.3305 5.02652 -23.4821 4.86509 -29.2921 53.954 -21.3434 52.4892 -1.0062 TIMING: 2852200 CPU: 9007.46, 0.00314894/step Wall: 9007.46, 0.00314894/step, 1.87869 hours remaining, 236.625000 MB of memory in use. ENERGY: 2852200 3921.2974 20600.6394 14446.6555 261.7715 -203324.1837 2592.9868 0.0000 0.0000 52293.4524 -109207.3808 300.5312 -161500.8331 -108844.5496 300.0457 91.3115 115.6760 760320.8504 -2.4090 -2.3226 LDB: ============= START OF LOAD BALANCING ============== 9019.99 LDB: ============== END OF LOAD BALANCING =============== 9019.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9019.99 LDB: ============= START OF LOAD BALANCING ============== 9020.31 LDB: Largest compute 7065 load 0.031517 is 16.1% of average load 0.195679 LDB: Average compute 0.004384 is 2.2% of average load 0.195679 LDB: TIME 9020.31 LOAD: AVG 0.195679 MAX 0.2152 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.848 MB LDB: TIME 9020.31 LOAD: AVG 0.195679 MAX 0.2152 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: TIME 9020.31 LOAD: AVG 0.195679 MAX 0.2152 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: ============== END OF LOAD BALANCING =============== 9020.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9020.32 PRESSURE: 2852400 -195.271 -87.3525 240.759 -87.3525 323.566 -104.456 240.758 -104.457 -217.321 GPRESSURE: 2852400 -147.406 -196.952 302.568 -20.6045 325.09 -91.0791 287.193 -92.1382 -182.504 PRESSAVG: 2852400 -45.678 -30.2373 -13.5355 -30.2373 44.2643 -1.32891 -13.5355 -1.32895 17.2314 GPRESSAVG: 2852400 -45.4582 -29.8777 -13.1391 -31.2979 45.6588 -2.74841 -12.3335 -0.393435 16.5667 TIMING: 2852400 CPU: 9008.1, 0.00323581/step Wall: 9008.1, 0.00323581/step, 1.93034 hours remaining, 235.449219 MB of memory in use. ENERGY: 2852400 4035.1590 20535.5866 14480.3102 257.2186 -203393.9690 2612.0389 0.0000 0.0000 52086.6400 -109387.0157 299.3426 -161473.6557 -109013.7636 299.4694 -29.6754 -1.6065 761410.4581 5.2726 5.5891 PRESSURE: 2852600 -205.517 -154.01 21.056 -154.01 -75.9967 -143.911 21.0551 -143.91 -534.552 GPRESSURE: 2852600 -202.1 -136.361 31.313 -124.156 -61.4289 -161.418 -14.7757 -144.462 -480.876 PRESSAVG: 2852600 -12.1817 9.22537 -5.38409 9.22535 12.5161 -10.5911 -5.38413 -10.5912 20.0309 GPRESSAVG: 2852600 -12.2156 10.1157 -5.48751 9.20851 10.9812 -9.60156 -6.15157 -11.4999 21.6875 TIMING: 2852600 CPU: 9008.74, 0.00316279/step Wall: 9008.74, 0.00316279/step, 1.88661 hours remaining, 235.515625 MB of memory in use. ENERGY: 2852600 3976.0418 20589.7851 14503.6792 254.1571 -203349.5031 2457.0863 0.0000 0.0000 52226.5741 -109342.1796 300.1468 -161568.7537 -108974.6527 299.5200 -272.0219 -248.1348 761680.4774 6.7884 6.8177 PRESSURE: 2852800 106.014 -26.0536 64.1358 -26.0534 171.928 -133.777 64.1354 -133.778 -138.947 GPRESSURE: 2852800 129.576 30.3603 41.2347 -0.0911795 268.236 -105.122 -39.131 -91.7903 -171.268 PRESSAVG: 2852800 48.7512 -20.9382 10.4401 -20.9382 1.72645 -39.2168 10.4401 -39.2168 -2.01187 GPRESSAVG: 2852800 49.1988 -22.521 11.9042 -18.8503 2.51982 -38.3712 10.7329 -39.3067 -3.38094 TIMING: 2852800 CPU: 9009.37, 0.0031674/step Wall: 9009.37, 0.0031674/step, 1.88918 hours remaining, 235.718750 MB of memory in use. ENERGY: 2852800 3980.9797 20436.8603 14508.9679 255.4328 -203050.1459 2409.8664 0.0000 0.0000 51945.1499 -109512.8888 298.5295 -161458.0388 -109146.2509 299.5495 46.3316 75.5146 761825.8680 16.1552 16.1126 PRESSURE: 2853000 -427.344 -28.6718 126.045 -28.6714 -73.5902 -37.5989 126.045 -37.5995 -65.6873 GPRESSURE: 2853000 -429.377 -76.7384 120.51 -46.7847 -88.5675 12.5655 -55.8735 -230.738 59.4294 PRESSAVG: 2853000 35.3227 8.31805 18.4422 8.31808 -6.30217 -9.43132 18.4422 -9.43129 5.66292 GPRESSAVG: 2853000 34.4544 7.90083 17.9031 10.5987 -7.15276 -9.11755 17.309 -9.50053 7.47009 TIMING: 2853000 CPU: 9010, 0.00314225/step Wall: 9010, 0.00314225/step, 1.874 hours remaining, 235.718750 MB of memory in use. ENERGY: 2853000 4009.3986 20512.3201 14406.7848 220.7103 -203351.8174 2517.9224 0.0000 0.0000 52181.5160 -109503.1652 299.8879 -161684.6812 -109146.9717 298.9688 -188.8739 -152.8385 763486.6919 11.5611 11.5906 PRESSURE: 2853200 88.12 -100.12 -165.465 -100.12 43.1867 -236.792 -165.465 -236.792 -299.644 GPRESSURE: 2853200 85.7385 -129.695 -139.075 -50.2387 90.5437 -224.801 -166.44 -97.9932 -274.531 PRESSAVG: 2853200 -17.9423 -6.32328 -32.1145 -6.32328 14.0109 14.6992 -32.1146 14.6992 19.211 GPRESSAVG: 2853200 -20.9534 -5.87404 -32.6315 -8.93621 16.7685 15.0101 -31.8572 16.0161 19.6976 TIMING: 2853200 CPU: 9010.63, 0.00317415/step Wall: 9010.63, 0.00317415/step, 1.89285 hours remaining, 235.718750 MB of memory in use. ENERGY: 2853200 3953.5918 20494.8051 14455.7500 231.7909 -203170.0220 2551.9137 0.0000 0.0000 51964.1631 -109518.0073 298.6388 -161482.1704 -109149.2490 298.5166 -56.1125 -32.7496 761731.3766 5.0932 5.1709 PRESSURE: 2853400 -96.0314 138.66 64.2385 138.66 -291.728 114.011 64.2388 114.011 -39.9958 GPRESSURE: 2853400 -40.6686 59.4247 86.9914 239.598 -317.439 46.4579 74.0932 99.6571 1.21218 PRESSAVG: 2853400 22.4055 0.982007 -6.51797 0.982031 2.4221 -19.3738 -6.51804 -19.3739 27.6571 GPRESSAVG: 2853400 25.7382 1.80813 -6.154 2.54499 0.863231 -20.5701 -7.36569 -19.2644 26.2862 TIMING: 2853400 CPU: 9011.27, 0.00317666/step Wall: 9011.27, 0.00317666/step, 1.89417 hours remaining, 235.718750 MB of memory in use. ENERGY: 2853400 4041.1675 20508.4576 14524.9621 236.4038 -203256.4941 2499.0490 0.0000 0.0000 51990.0341 -109456.4200 298.7874 -161446.4541 -109089.1003 299.3116 -142.5850 -118.9652 762419.6723 17.4949 17.6292 PRESSURE: 2853600 -154.176 -72.0725 -41.0415 -72.0719 -222.394 -373.035 -41.0419 -373.035 68.5202 GPRESSURE: 2853600 -142.75 4.40636 24.0687 3.24832 -163.101 -339.582 -39.4646 -274.212 91.794 PRESSAVG: 2853600 39.5496 -18.5612 1.31312 -18.5611 -53.2751 -18.5445 1.31315 -18.5444 -19.7134 GPRESSAVG: 2853600 38.3069 -20.3116 2.08871 -19.519 -52.7566 -18.1973 3.79594 -17.9733 -18.8882 TIMING: 2853600 CPU: 9011.9, 0.00317477/step Wall: 9011.9, 0.00317477/step, 1.89287 hours remaining, 235.718750 MB of memory in use. ENERGY: 2853600 3964.3788 20470.1295 14478.2322 247.5532 -202920.5783 2084.3271 0.0000 0.0000 52051.8826 -109624.0751 299.1429 -161675.9576 -109253.2285 298.9009 -102.6834 -71.3525 762505.0661 -11.1463 -11.1126 PRESSURE: 2853800 -401.947 96.8493 226.381 96.849 19.8023 -277.916 226.381 -277.916 206.856 GPRESSURE: 2853800 -351.356 62.2746 154.204 56.1779 90.4064 -334.359 244.784 -140.408 180.003 PRESSAVG: 2853800 -22.4843 -10.7783 -27.7274 -10.7784 35.2208 -56.3777 -27.7274 -56.3777 -1.59292 GPRESSAVG: 2853800 -21.5733 -8.97616 -28.8908 -9.06723 35.6378 -54.5882 -27.6872 -60.1 -2.23731 TIMING: 2853800 CPU: 9012.54, 0.00319515/step Wall: 9012.54, 0.00319515/step, 1.90484 hours remaining, 235.718750 MB of memory in use. ENERGY: 2853800 3837.1541 20399.7171 14469.1562 231.3347 -203322.7340 2629.8959 0.0000 0.0000 52107.1848 -109648.2912 299.4607 -161755.4760 -109280.1434 298.8731 -58.4298 -26.9821 764129.2713 3.7145 3.9424 PRESSURE: 2854000 119.838 77.3029 -59.0961 77.303 297.714 168.192 -59.0962 168.191 -376.823 GPRESSURE: 2854000 179.695 91.3743 -5.61508 145.365 305.585 228.079 -119.547 205.809 -363.02 PRESSAVG: 2854000 -35.8615 -31.904 -58.6073 -31.9039 24.7712 -26.0291 -58.6073 -26.0291 -9.98678 GPRESSAVG: 2854000 -36.7758 -32.4432 -58.6452 -32.1077 25.739 -28.5378 -58.8814 -23.5306 -10.193 TIMING: 2854000 CPU: 9013.18, 0.00317966/step Wall: 9013.18, 0.00317966/step, 1.89543 hours remaining, 235.718750 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: 2854000 4006.6119 20610.4835 14499.7925 251.0371 -203707.2491 2881.7546 0.0000 0.0000 51932.7791 -109524.7904 298.4584 -161457.5694 -109160.2225 298.5776 13.5765 40.7535 762540.3201 -7.0257 -7.0766 PRESSURE: 2854200 55.3552 -105.909 -74.6767 -105.909 65.5952 15.4792 -74.6767 15.4793 -17.9126 GPRESSURE: 2854200 128.18 -91.4782 -152.299 40.4509 57.9374 -61.5526 46.4555 56.4593 5.67324 PRESSAVG: 2854200 -26.2178 31.6634 -62.2467 31.6633 9.82308 -48.8575 -62.2467 -48.8575 -1.0831 GPRESSAVG: 2854200 -27.4307 30.3593 -62.8284 32.7294 10.3523 -48.5611 -61.8607 -47.7224 -0.0917623 TIMING: 2854200 CPU: 9013.81, 0.00317034/step Wall: 9013.81, 0.00317034/step, 1.8897 hours remaining, 235.718750 MB of memory in use. ENERGY: 2854200 3950.1019 20406.7439 14450.7593 244.7668 -203441.6961 2714.4378 0.0000 0.0000 52107.8002 -109567.0862 299.4642 -161674.8864 -109197.3686 298.4911 34.3459 63.9304 763212.9705 -5.8259 -5.7234 PRESSURE: 2854400 -244.503 -20.9501 -186.773 -20.9501 513.386 -99.7544 -186.775 -99.7534 -278.595 GPRESSURE: 2854400 -173.427 43.7906 -152.928 -27.66 484.916 -82.0229 -85.4001 -104.776 -234.216 PRESSAVG: 2854400 -23.0758 -25.3874 -70.5461 -25.3874 8.58253 -26.3715 -70.5461 -26.3715 4.80234 GPRESSAVG: 2854400 -21.9752 -23.7748 -69.7676 -26.5787 7.86934 -24.5128 -70.8576 -26.0716 4.36258 TIMING: 2854400 CPU: 9014.45, 0.0031736/step Wall: 9014.45, 0.0031736/step, 1.89147 hours remaining, 235.718750 MB of memory in use. ENERGY: 2854400 3980.7131 20617.9448 14493.2483 224.1623 -203756.5977 2855.9710 0.0000 0.0000 52014.4071 -109570.1512 298.9275 -161584.5582 -109210.4383 298.9892 -3.2371 25.7579 762275.7750 -3.2303 -3.2478 PRESSURE: 2854600 -231.745 -104.228 -245.346 -104.228 -143.846 49.0852 -245.346 49.0847 4.60842 GPRESSURE: 2854600 -144.244 -127.455 -335.75 -62.1362 -105.887 -40.4196 -98.7814 226.204 -28.4176 PRESSAVG: 2854600 16.1494 -17.7866 -34.3546 -17.7867 49.3731 -6.51273 -34.3546 -6.51265 8.52775 GPRESSAVG: 2854600 16.9914 -18.1529 -32.6821 -20.4733 48.2821 -7.7556 -35.6179 -5.51896 8.77749 TIMING: 2854600 CPU: 9015.08, 0.00315163/step Wall: 9015.08, 0.00315163/step, 1.8782 hours remaining, 235.718750 MB of memory in use. ENERGY: 2854600 3972.8931 20278.5238 14441.6367 244.4920 -203285.0916 2520.3467 0.0000 0.0000 52094.5517 -109732.6476 299.3881 -161827.1994 -109373.9100 298.7787 -123.6609 -92.8494 762267.3915 24.6834 24.6837 PRESSURE: 2854800 -371.369 64.5512 73.6084 64.5506 158.423 -150.794 73.6083 -150.794 139.711 GPRESSURE: 2854800 -295.302 65.7897 73.5095 -78.5811 166.239 -130.479 12.9748 -195.111 135.84 PRESSAVG: 2854800 -4.77045 -17.6535 -33.1402 -17.6535 -4.07079 -45.8163 -33.1402 -45.8163 9.06804 GPRESSAVG: 2854800 -5.97331 -18.9053 -34.5637 -15.592 -4.2387 -46.1442 -32.0092 -46.4531 9.8852 TIMING: 2854800 CPU: 9015.71, 0.00315309/step Wall: 9015.71, 0.00315309/step, 1.87889 hours remaining, 235.718750 MB of memory in use. ENERGY: 2854800 4011.6641 20512.8961 14342.4063 268.4563 -203445.6175 2783.9254 0.0000 0.0000 52029.9135 -109496.3559 299.0166 -161526.2694 -109130.6447 298.9848 -24.4119 2.2590 762085.0431 0.0756 -0.1089 PRESSURE: 2855000 -271.539 -66.8872 -243.235 -66.8883 -92.5912 252.791 -243.235 252.791 398.954 GPRESSURE: 2855000 -217.295 -48.0023 -226.76 31.872 -75.6781 183.737 -123.867 196.871 411.529 PRESSAVG: 2855000 -42.8692 9.66385 -9.38502 9.66385 31.2894 13.1313 -9.38497 13.1313 16.7379 GPRESSAVG: 2855000 -43.5649 8.88106 -9.30751 9.37715 32.2115 13.5142 -10.7063 12.2998 16.0329 TIMING: 2855000 CPU: 9016.34, 0.00315705/step Wall: 9016.34, 0.00315705/step, 1.88108 hours remaining, 235.718750 MB of memory in use. ENERGY: 2855000 4080.9683 20561.5906 14383.3780 257.9935 -203621.9173 3059.6328 0.0000 0.0000 52001.9670 -109276.3872 298.8560 -161278.3542 -108915.1386 298.9941 11.6079 39.5185 762236.0183 1.7194 1.5598 PRESSURE: 2855200 -286.628 -30.5191 153.531 -30.5197 104.612 266.148 153.53 266.147 -512.039 GPRESSURE: 2855200 -213.499 64.9011 179.5 25.3022 100.247 159.457 205.901 192.814 -483.125 PRESSAVG: 2855200 -30.7986 40.6008 -15.6805 40.6008 15.3624 56.0239 -15.6805 56.0239 15.658 GPRESSAVG: 2855200 -29.1142 43.9049 -15.2578 41.2238 14.9766 54.8933 -17.4197 56.3129 14.2034 TIMING: 2855200 CPU: 9016.97, 0.00315668/step Wall: 9016.97, 0.00315668/step, 1.88068 hours remaining, 235.718750 MB of memory in use. ENERGY: 2855200 4052.1312 20513.7831 14481.9730 251.4011 -202991.9908 2498.2899 0.0000 0.0000 51824.8447 -109369.5679 297.8381 -161194.4126 -109014.3111 299.4100 -231.3516 -198.7923 763332.8723 0.0739 0.0220 PRESSURE: 2855400 150.871 -19.1405 -160.173 -19.1411 -21.2994 63.3983 -160.173 63.3984 -22.2075 GPRESSURE: 2855400 132.982 -19.3164 -179.525 5.20296 -18.8608 -38.8001 -96.7932 12.7373 82.9819 PRESSAVG: 2855400 -11.6115 -14.3961 -23.4679 -14.3962 18.7213 23.4905 -23.4679 23.4905 -0.497641 GPRESSAVG: 2855400 -12.3568 -17.3275 -24.9477 -13.6785 17.3598 24.9192 -21.5567 21.2862 0.978519 TIMING: 2855400 CPU: 9017.6, 0.00316491/step Wall: 9017.6, 0.00316491/step, 1.88541 hours remaining, 235.718750 MB of memory in use. ENERGY: 2855400 4009.6099 20600.3169 14342.7330 230.3444 -202976.0446 2459.9281 0.0000 0.0000 51891.0838 -109442.0286 298.2188 -161333.1124 -109087.0525 298.9116 35.7881 65.7011 763115.4259 2.2041 1.9938 PRESSURE: 2855600 70.4757 89.2655 -95.6184 89.265 -294.013 144.244 -95.6189 144.245 -81.1564 GPRESSURE: 2855600 19.2282 76.2002 -93.8428 212.387 -182.737 164.101 -108.186 129.039 -56.8091 PRESSAVG: 2855600 28.8026 -27.7841 1.0566 -27.7842 -61.975 -8.48594 1.05653 -8.48602 8.72023 GPRESSAVG: 2855600 29.0036 -26.4083 0.970073 -28.1748 -61.4651 -8.31162 2.49325 -7.3541 8.24941 TIMING: 2855600 CPU: 9018.23, 0.00314418/step Wall: 9018.23, 0.00314418/step, 1.87288 hours remaining, 235.718750 MB of memory in use. ENERGY: 2855600 3907.6526 20493.1074 14437.5204 254.0323 -203381.2172 2837.7529 0.0000 0.0000 51845.7739 -109605.3778 297.9584 -161451.1517 -109239.4786 298.7079 -101.5646 -73.4393 763033.5924 -8.1507 -8.0707 PRESSURE: 2855800 246.241 199.195 188.814 199.196 104.568 -13.4743 188.814 -13.4737 -177.02 GPRESSURE: 2855800 314.806 166.1 129.703 193.654 81.099 -55.8448 235.292 61.3827 -175.914 PRESSAVG: 2855800 -10.4645 -5.45078 -9.67104 -5.45077 -33.302 48.8091 -9.67101 48.8091 6.52407 GPRESSAVG: 2855800 -10.0989 -4.74527 -10.942 -7.41593 -33.7862 47.7597 -10.0696 50.7904 6.02265 TIMING: 2855800 CPU: 9018.86, 0.00314717/step Wall: 9018.86, 0.00314717/step, 1.87449 hours remaining, 235.718750 MB of memory in use. ENERGY: 2855800 4027.2083 20342.0442 14487.8188 259.3915 -203337.6177 2703.1232 0.0000 0.0000 52069.7884 -109448.2431 299.2458 -161518.0316 -109076.7356 298.8920 57.9296 73.3304 762360.6057 -12.4141 -12.6208 PRESSURE: 2856000 -153.75 39.8836 -122.655 39.8826 -151.557 247.459 -122.655 247.458 -154.629 GPRESSURE: 2856000 -154.07 -32.7963 -138.208 187.951 -45.9107 243.956 -12.2526 207.266 -173.098 PRESSAVG: 2856000 -17.0231 4.40534 -61.9382 4.40535 -15.032 29.7994 -61.9382 29.7995 6.82766 GPRESSAVG: 2856000 -17.6338 4.2101 -61.6999 6.32586 -14.8673 29.5791 -61.4777 30.6061 6.83004 TIMING: 2856000 CPU: 9019.49, 0.00314025/step Wall: 9019.49, 0.00314025/step, 1.87019 hours remaining, 235.718750 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: 2856000 4025.4444 20501.2149 14478.7485 243.3886 -203241.7922 2540.8031 0.0000 0.0000 52011.5155 -109440.6772 298.9109 -161452.1927 -109081.5681 299.3606 -153.3124 -124.3594 761894.9374 -8.4092 -8.5570 PRESSURE: 2856200 203.513 -69.0699 114.225 -69.071 -80.7709 -86.3054 114.225 -86.3055 -291 GPRESSURE: 2856200 167.18 6.87756 104.068 -75.8161 -39.8304 -76.3285 97.0898 -129.159 -201.881 PRESSAVG: 2856200 32.9025 -1.68017 -42.289 -1.68019 2.37494 10.4992 -42.289 10.4992 -13.3519 GPRESSAVG: 2856200 32.5365 -1.73539 -41.7335 -1.01197 2.05164 13.0288 -45.0203 9.03607 -12.4564 TIMING: 2856200 CPU: 9020.12, 0.00313728/step Wall: 9020.12, 0.00313728/step, 1.86825 hours remaining, 235.718750 MB of memory in use. ENERGY: 2856200 4034.4381 20559.7296 14495.8260 264.5456 -203284.9485 2671.2294 0.0000 0.0000 51862.5254 -109396.6543 298.0546 -161259.1797 -109028.6881 298.9001 -56.0857 -24.8439 761084.4968 7.3085 7.3773 LDB: ============= START OF LOAD BALANCING ============== 9032.65 LDB: ============== END OF LOAD BALANCING =============== 9032.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9032.65 LDB: ============= START OF LOAD BALANCING ============== 9032.97 LDB: Largest compute 7065 load 0.031645 is 16.2% of average load 0.195647 LDB: Average compute 0.004351 is 2.2% of average load 0.195647 LDB: TIME 9032.97 LOAD: AVG 0.195647 MAX 0.216807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.219 MB LDB: TIME 9032.97 LOAD: AVG 0.195647 MAX 0.216807 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: TIME 9032.97 LOAD: AVG 0.195647 MAX 0.216807 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.289 MB LDB: ============== END OF LOAD BALANCING =============== 9032.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9032.98 PRESSURE: 2856400 -32.884 55.9487 -136.779 55.9487 238.455 155.74 -136.779 155.741 15.5655 GPRESSURE: 2856400 18.0057 10.3282 -152.778 14.8657 266.232 184.873 -159.327 244.348 49.4392 PRESSAVG: 2856400 -7.21727 18.783 -11.4234 18.783 -7.15287 49.5469 -11.4233 49.5469 -6.61542 GPRESSAVG: 2856400 -7.77047 19.3705 -9.96727 16.4671 -6.52285 49.2898 -9.43886 48.9615 -6.67313 TIMING: 2856400 CPU: 9020.76, 0.00320739/step Wall: 9020.76, 0.00320739/step, 1.90982 hours remaining, 235.453125 MB of memory in use. ENERGY: 2856400 4021.6112 20513.1147 14382.2434 244.4631 -203312.3748 2717.7271 0.0000 0.0000 51961.6827 -109471.5326 298.6245 -161433.2153 -109122.1188 298.7602 73.7122 111.2257 761977.7762 -6.9952 -6.9888 PRESSURE: 2856600 -189.584 102.477 -351.097 102.478 -217.557 231.918 -351.096 231.917 -128.404 GPRESSURE: 2856600 -184.576 -57.4593 -333.608 16.8597 -168.195 314.908 -219.379 265.809 -107.018 PRESSAVG: 2856600 16.1866 -14.4802 32.0608 -14.4802 5.35212 20.0256 32.0608 20.0256 3.0482 GPRESSAVG: 2856600 17.0188 -13.6357 30.8754 -15.3748 5.13833 18.7832 30.0318 22.1867 2.84431 TIMING: 2856600 CPU: 9021.39, 0.00315466/step Wall: 9021.39, 0.00315466/step, 1.87825 hours remaining, 235.714844 MB of memory in use. ENERGY: 2856600 3984.5554 20456.7495 14346.9217 242.0646 -203224.9641 2517.1263 0.0000 0.0000 52106.4724 -109571.0742 299.4566 -161677.5465 -109205.8913 298.9863 -178.5148 -153.2629 762758.8168 8.1956 8.3338 PRESSURE: 2856800 -213.383 -25.3464 -125.614 -25.3465 -164.533 -45.6912 -125.613 -45.6904 -136.371 GPRESSURE: 2856800 -108.044 18.9205 -89.1688 -111.966 -176.674 -113.927 13.9676 105.861 -152.358 PRESSAVG: 2856800 30.614 -13.6141 -24.7173 -13.6141 -20.9833 -12.5435 -24.7173 -12.5434 -0.586207 GPRESSAVG: 2856800 30.4146 -14.6288 -25.7609 -13.9985 -20.7492 -14.1803 -22.5848 -13.682 -1.66128 TIMING: 2856800 CPU: 9022.02, 0.00314407/step Wall: 9022.02, 0.00314407/step, 1.87177 hours remaining, 235.714844 MB of memory in use. ENERGY: 2856800 4006.1430 20483.6826 14472.1789 247.2078 -203181.1307 2438.8669 0.0000 0.0000 52173.9120 -109359.1395 299.8442 -161533.0515 -109000.6699 298.9965 -171.4290 -145.6920 761990.2699 3.0148 2.6681 PRESSURE: 2857000 -109.589 9.78233 -112.402 9.78266 -13.7482 -42.841 -112.402 -42.8416 -449.578 GPRESSURE: 2857000 -16.1314 95.7333 -39.5756 -7.84066 -33.6166 -56.7935 -150.92 -181.284 -431.195 PRESSAVG: 2857000 27.8541 44.6254 -34.1321 44.6255 -22.011 -12.0459 -34.1321 -12.046 11.528 GPRESSAVG: 2857000 28.4581 45.2376 -33.363 44.6329 -21.3446 -10.1809 -33.9169 -12.2471 10.6881 TIMING: 2857000 CPU: 9022.65, 0.00315413/step Wall: 9022.65, 0.00315413/step, 1.87758 hours remaining, 235.714844 MB of memory in use. ENERGY: 2857000 4008.7319 20315.4075 14481.0986 248.7866 -202615.0103 2264.8274 0.0000 0.0000 51861.3474 -109434.8110 298.0479 -161296.1583 -109079.2250 298.7515 -190.9718 -160.3144 762186.4737 5.7904 5.9338 PRESSURE: 2857200 258.757 178.405 62.134 178.407 -60.9584 158.234 62.1349 158.234 457.89 GPRESSURE: 2857200 204.339 249.64 123.688 92.8424 108.347 189.209 59.3665 225.248 437.072 PRESSAVG: 2857200 -11.8952 75.0856 8.09558 75.0857 22.6745 -5.75086 8.09554 -5.75089 11.385 GPRESSAVG: 2857200 -13.4527 74.022 7.15345 73.4312 24.1727 -6.04793 8.36138 -7.1689 11.6041 TIMING: 2857200 CPU: 9023.28, 0.0031537/step Wall: 9023.28, 0.0031537/step, 1.87715 hours remaining, 235.714844 MB of memory in use. ENERGY: 2857200 4039.3444 20477.1592 14434.9079 225.7634 -203140.3304 2698.8629 0.0000 0.0000 51961.1727 -109303.1200 298.6216 -161264.2926 -108956.8085 299.0638 218.5626 249.9196 761641.7602 7.3881 7.4414 PRESSURE: 2857400 -52.038 186.513 294.292 186.514 -324.067 77.2464 294.292 77.2473 257.648 GPRESSURE: 2857400 -108 42.9283 302 159.256 -170.936 28.9438 253.243 217.738 232.158 PRESSAVG: 2857400 -52.0262 29.5331 -36.0315 29.5331 34.0406 -21.1654 -36.0315 -21.1654 5.08353 GPRESSAVG: 2857400 -51.9508 30.6115 -36.5233 31.7374 32.7076 -20.2178 -36.2824 -19.1468 6.31938 TIMING: 2857400 CPU: 9023.91, 0.00316535/step Wall: 9023.91, 0.00316535/step, 1.88391 hours remaining, 235.781250 MB of memory in use. ENERGY: 2857400 3899.9210 20503.6688 14448.3608 246.7535 -202808.3584 2546.7450 0.0000 0.0000 52110.5967 -109052.3127 299.4803 -161162.9093 -108687.2548 299.9088 -39.4855 -15.5926 762947.1109 -4.3007 -4.3079 PRESSURE: 2857600 483.57 -166.638 -190.36 -166.639 -286.222 254.107 -190.36 254.107 89.3572 GPRESSURE: 2857600 518.736 -127.602 -104.081 -176.955 -205.57 316.294 -98.0373 152.435 68.6008 PRESSAVG: 2857600 24.103 6.70922 17.4529 6.70926 -20.9817 41.1081 17.4529 41.108 -9.87006 GPRESSAVG: 2857600 24.7918 5.74911 20.0236 8.39409 -20.7957 40.0972 16.4196 39.278 -10.7635 TIMING: 2857600 CPU: 9024.54, 0.00314868/step Wall: 9024.54, 0.00314868/step, 1.87381 hours remaining, 235.781250 MB of memory in use. ENERGY: 2857600 4012.3217 20461.3018 14559.2285 235.1392 -203517.7427 2893.8855 0.0000 0.0000 52268.9348 -109086.9311 300.3903 -161355.8660 -108731.4698 299.8397 95.5686 127.2554 762202.5310 -2.2496 -2.2558 PRESSURE: 2857800 -285.063 162.06 -53.9067 162.061 109.474 -131.903 -53.9075 -131.903 -335.987 GPRESSURE: 2857800 -194.497 128.713 13.6386 81.5618 102.463 -85.5498 -178.518 -160.65 -336.884 PRESSAVG: 2857800 18.9653 -3.72429 -57.5303 -3.72427 23.1844 3.28198 -57.5303 3.28196 -13.3093 GPRESSAVG: 2857800 18.7297 -3.06159 -58.9615 -5.93627 22.9613 4.99257 -57.3419 2.46079 -13.2514 TIMING: 2857800 CPU: 9025.17, 0.0031538/step Wall: 9025.17, 0.0031538/step, 1.87668 hours remaining, 235.781250 MB of memory in use. ENERGY: 2857800 3964.3366 20368.2641 14466.6385 255.9871 -203108.2482 2570.0924 0.0000 0.0000 52166.3299 -109316.5995 299.8006 -161482.9294 -108949.5358 299.7463 -170.5255 -142.9724 762301.8322 9.6135 9.4799 PRESSURE: 2858000 101.267 -2.60803 109.286 -2.60793 -172.392 69.6686 109.287 69.6677 8.73911 GPRESSURE: 2858000 45.2471 23.0048 125.977 144.622 -122.529 31.3347 98.5123 63.4701 94.8158 PRESSAVG: 2858000 -17.2234 -1.07603 -1.34875 -1.07597 43.991 50.8889 -1.34872 50.8889 -3.65976 GPRESSAVG: 2858000 -17.1812 -3.96432 -1.68385 0.0868901 44.7583 49.8317 -1.75989 50.755 -3.81255 TIMING: 2858000 CPU: 9025.81, 0.00317333/step Wall: 9025.81, 0.00317333/step, 1.88813 hours remaining, 235.781250 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: 2858000 3933.6710 20518.5046 14425.7461 243.5936 -203490.0974 2858.9217 0.0000 0.0000 52027.1480 -109482.5125 299.0007 -161509.6605 -109124.2475 299.0089 -20.7955 5.8445 763729.1462 7.7026 7.9215 PRESSURE: 2858200 0.425412 -13.8718 -37.5135 -13.8717 -78.1705 -183.317 -37.5134 -183.316 -17.0925 GPRESSURE: 2858200 41.9677 69.5755 -5.84533 15.2171 -49.2111 -172.661 -129.545 -223.969 -0.192823 PRESSAVG: 2858200 -50.5306 -5.85335 33.1564 -5.85334 21.7852 38.3571 33.1564 38.3571 13.5254 GPRESSAVG: 2858200 -50.3468 -3.36093 34.0775 -7.69417 20.7205 38.5289 33.8713 40.2577 14.0475 TIMING: 2858200 CPU: 9026.44, 0.00317259/step Wall: 9026.44, 0.00317259/step, 1.88751 hours remaining, 235.781250 MB of memory in use. ENERGY: 2858200 4007.7647 20511.4154 14451.8327 252.8614 -203535.1674 2878.1692 0.0000 0.0000 52078.3441 -109354.7799 299.2950 -161433.1239 -108998.2526 298.6555 -31.6125 -2.4787 763015.1248 -5.0733 -5.1929 PRESSURE: 2858400 -189.823 -26.7944 -130.261 -26.7941 39.7821 -196.591 -130.261 -196.592 -432.118 GPRESSURE: 2858400 -108.235 -35.925 -63.6766 -25.5125 -37.0015 -216.662 -35.0562 -4.00298 -374.209 PRESSAVG: 2858400 9.41355 -12.5621 -34.4735 -12.5621 -15.1246 3.89793 -34.4735 3.89789 3.84355 GPRESSAVG: 2858400 10.3871 -13.8251 -36.0274 -10.9904 -15.5249 5.25654 -33.174 3.33542 2.90427 TIMING: 2858400 CPU: 9027.08, 0.00316471/step Wall: 9027.08, 0.00316471/step, 1.88265 hours remaining, 235.781250 MB of memory in use. ENERGY: 2858400 4010.1606 20615.3363 14386.7389 253.7927 -203313.0556 2527.8825 0.0000 0.0000 52356.4660 -109162.6786 300.8933 -161519.1446 -108792.7699 299.1610 -194.0530 -173.1486 763484.1006 -0.6225 -0.7445 PRESSURE: 2858600 160.619 66.2134 24.5417 66.2132 -259.356 -97.6195 24.5418 -97.6198 22.0543 GPRESSURE: 2858600 154.187 -26.4592 42.5378 146.622 -149.305 -105.375 82.002 -194.087 7.09395 PRESSAVG: 2858600 -15.1367 -4.35024 12.6682 -4.35025 30.7325 -32.8368 12.6682 -32.8368 35.0636 GPRESSAVG: 2858600 -16.3145 -3.03643 13.3727 -5.76454 33.1547 -33.7542 11.6549 -32.6658 33.6098 TIMING: 2858600 CPU: 9027.71, 0.00315573/step Wall: 9027.71, 0.00315573/step, 1.87713 hours remaining, 235.781250 MB of memory in use. ENERGY: 2858600 4026.5298 20472.0916 14427.6942 249.8147 -203439.3174 2721.9496 0.0000 0.0000 52142.7904 -109398.4471 299.6653 -161541.2376 -109033.3178 299.3833 -25.5609 3.9918 762644.8846 16.8865 16.8167 PRESSURE: 2858800 -66.6847 -219.884 -32.5733 -219.883 -714.44 1.72755 -32.5735 1.72784 -252.917 GPRESSURE: 2858800 -125.766 -253.142 -75.3415 -235.444 -588.253 -23.6291 -93.2059 27.3603 -239.516 PRESSAVG: 2858800 -28.9643 -25.6442 18.1958 -25.6442 2.18589 -9.40309 18.1958 -9.40306 -4.46334 GPRESSAVG: 2858800 -29.1263 -25.7247 17.9967 -26.7744 0.649709 -10.1289 18.5239 -9.25569 -2.65683 TIMING: 2858800 CPU: 9028.34, 0.00314135/step Wall: 9028.34, 0.00314135/step, 1.86841 hours remaining, 235.781250 MB of memory in use. ENERGY: 2858800 4032.6520 20464.9199 14415.2750 252.6186 -203139.8875 2589.0034 0.0000 0.0000 52270.9753 -109114.4431 300.4020 -161385.4184 -108749.8701 299.6386 -344.6806 -317.8448 764986.9108 -10.4139 -10.3778 PRESSURE: 2859000 -18.7676 -164.238 -79.6265 -164.237 -145.844 -250.514 -79.6262 -250.513 -186.016 GPRESSURE: 2859000 59.0928 -246.654 -135.394 -268.54 -151.473 -343.303 -87.2244 -189.36 -152.009 PRESSAVG: 2859000 12.4789 -17.7148 -82.7053 -17.7148 11.6637 13.6952 -82.7053 13.6952 -15.1199 GPRESSAVG: 2859000 13.4414 -16.8356 -82.6716 -16.5651 10.5007 13.0461 -83.0312 13.5349 -15.6073 TIMING: 2859000 CPU: 9028.97, 0.00316089/step Wall: 9028.97, 0.00316089/step, 1.87985 hours remaining, 235.781250 MB of memory in use. ENERGY: 2859000 4000.0505 20442.5452 14408.5084 243.4063 -203082.4456 2611.9586 0.0000 0.0000 52489.4448 -108886.5318 301.6576 -161375.9766 -108530.8417 299.7500 -116.8760 -81.4629 763874.2784 3.0075 2.7783 PRESSURE: 2859200 -374.604 43.411 50.79 43.4117 130.104 -6.41089 50.7897 -6.41017 202.901 GPRESSURE: 2859200 -395.739 -27.9999 -24.1345 -29.4158 223.215 94.8194 42.9601 118.694 218.273 PRESSAVG: 2859200 -43.0463 3.55307 26.1804 3.55307 17.3982 24.8701 26.1805 24.87 5.19018 GPRESSAVG: 2859200 -44.8494 3.7282 26.2753 1.36316 19.8681 25.4594 26.2734 26.6309 4.63271 TIMING: 2859200 CPU: 9029.6, 0.0031459/step Wall: 9029.6, 0.0031459/step, 1.87076 hours remaining, 235.781250 MB of memory in use. ENERGY: 2859200 3977.4887 20635.5550 14427.3284 252.1365 -203317.4583 2806.7685 0.0000 0.0000 52257.8501 -108960.3311 300.3266 -161218.1812 -108602.3126 299.9191 -13.8662 15.2498 764177.2142 -6.8193 -6.7829 PRESSURE: 2859400 -136.207 49.3372 -259.244 49.3373 -52.565 -22.4011 -259.244 -22.4011 95.2399 GPRESSURE: 2859400 -61.9015 46.0047 -305.524 19.0361 -46.5679 -80.6029 -329.12 120.185 96.1594 PRESSAVG: 2859400 -75.6522 -90.9921 3.47863 -90.9921 76.9288 8.77277 3.47857 8.77286 -6.13477 GPRESSAVG: 2859400 -75.2973 -91.7621 4.62434 -88.8823 76.0219 10.3069 1.09854 7.52062 -5.58245 TIMING: 2859400 CPU: 9030.23, 0.00315597/step Wall: 9030.23, 0.00315597/step, 1.87657 hours remaining, 235.781250 MB of memory in use. ENERGY: 2859400 3919.0691 20477.4840 14484.2882 239.1333 -203056.4607 2399.2808 0.0000 0.0000 52368.4994 -109168.7059 300.9625 -161537.2054 -108806.6734 299.8547 -31.1774 -4.1033 762761.1150 -1.6194 -1.6193 PRESSURE: 2859600 -124.208 43.428 -70.1181 43.4275 -152.253 39.1793 -70.1179 39.18 28.3739 GPRESSURE: 2859600 -138.191 9.9966 -36.9768 130.724 -88.9356 105.641 -125.643 8.71298 64.0338 PRESSAVG: 2859600 -33.3224 -18.5451 -30.0124 -18.545 41.5296 -23.546 -30.0124 -23.546 21.2707 GPRESSAVG: 2859600 -32.9013 -17.2664 -29.707 -17.94 40.5206 -23.2622 -30.7378 -25.3118 21.8119 TIMING: 2859600 CPU: 9030.86, 0.00315583/step Wall: 9030.86, 0.00315583/step, 1.87631 hours remaining, 235.781250 MB of memory in use. ENERGY: 2859600 4070.3099 20567.3240 14508.8570 236.9785 -203083.3363 2758.5321 0.0000 0.0000 51734.1108 -109207.2240 297.3166 -160941.3348 -108852.7130 299.2954 -82.6956 -54.3643 763919.8060 9.8260 9.8104 PRESSURE: 2859800 114.064 104.178 -153.443 104.178 -195.895 63.1059 -153.443 63.1063 -101.01 GPRESSURE: 2859800 87.8061 87.5635 -71.7325 79.5714 -119.586 89.2341 -76.264 28.1493 -69.367 PRESSAVG: 2859800 19.4799 15.1098 71.4639 15.1099 8.8471 6.92178 71.4639 6.92174 -6.66431 GPRESSAVG: 2859800 20.0399 12.3011 71.1813 14.5199 9.41529 5.72119 74.318 8.43427 -8.05747 TIMING: 2859800 CPU: 9031.49, 0.00314079/step Wall: 9031.49, 0.00314079/step, 1.8672 hours remaining, 235.781250 MB of memory in use. ENERGY: 2859800 4062.4918 20631.5197 14460.8384 255.4602 -203672.6811 2844.8669 0.0000 0.0000 52131.1612 -109286.3428 299.5985 -161417.5040 -108920.7649 299.3089 -60.9471 -33.7156 763647.7271 7.2209 7.1326 PRESSURE: 2860000 -278.309 93.7264 11.3768 93.7254 51.685 -132.497 11.3757 -132.496 450.367 GPRESSURE: 2860000 -315.337 123.432 27.0734 48.8782 132.804 -51.0024 -125.018 -80.2616 462.93 PRESSAVG: 2860000 14.0777 1.15808 24.1083 1.15806 0.261308 34.7662 24.1083 34.7662 1.37063 GPRESSAVG: 2860000 11.4522 1.39851 24.3633 1.53171 0.472925 35.3977 24.619 33.9288 3.31228 TIMING: 2860000 CPU: 9032.12, 0.00314692/step Wall: 9032.12, 0.00314692/step, 1.87067 hours remaining, 235.781250 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: 2860000 4003.0098 20469.7561 14454.1042 243.6654 -203180.3735 2518.5513 0.0000 0.0000 51936.0884 -109555.1983 298.4774 -161491.2866 -109187.4286 299.5257 74.5810 93.4659 763570.9051 5.2365 5.0791 PRESSURE: 2860200 -256.372 -16.4845 -97.4377 -16.4843 -330.763 8.81207 -97.4382 8.81113 29.9605 GPRESSURE: 2860200 -236.608 -54.9322 -91.2769 -75.341 -251.844 38.6809 -132.765 -37.644 25.5251 PRESSAVG: 2860200 -15.796 0.652775 -49.5561 0.652764 55.7579 47.7944 -49.5561 47.7944 0.650031 GPRESSAVG: 2860200 -13.1768 2.29504 -49.9727 -0.111043 54.8454 47.7689 -52.3612 48.6744 -1.03252 TIMING: 2860200 CPU: 9032.75, 0.00314276/step Wall: 9032.75, 0.00314276/step, 1.86802 hours remaining, 235.781250 MB of memory in use. ENERGY: 2860200 4028.9464 20608.7744 14510.5170 249.3458 -203142.9978 2534.6568 0.0000 0.0000 51733.7058 -109477.0514 297.3143 -161210.7573 -109114.7863 299.0776 -185.7249 -154.3091 764054.9159 13.5373 13.5454 LDB: ============= START OF LOAD BALANCING ============== 9045.28 LDB: ============== END OF LOAD BALANCING =============== 9045.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9045.28 LDB: ============= START OF LOAD BALANCING ============== 9045.6 LDB: Largest compute 7026 load 0.030362 is 15.5% of average load 0.195534 LDB: Average compute 0.004367 is 2.2% of average load 0.195534 LDB: TIME 9045.6 LOAD: AVG 0.195534 MAX 0.213964 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 9045.6 LOAD: AVG 0.195534 MAX 0.213964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.992 MB LDB: TIME 9045.6 LOAD: AVG 0.195534 MAX 0.213964 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.992 MB LDB: ============== END OF LOAD BALANCING =============== 9045.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9045.61 PRESSURE: 2860400 -282.422 -125.05 102.844 -125.05 -117.395 248.794 102.844 248.795 -158.456 GPRESSURE: 2860400 -281.056 -62.0018 18.4521 -52.7005 -42.6847 356.946 136.768 80.5973 -158.384 PRESSAVG: 2860400 32.5582 35.5774 2.06419 35.5773 11.8627 76.7927 2.06408 76.7928 13.3181 GPRESSAVG: 2860400 31.151 32.2277 3.90346 35.1714 12.5727 78.765 1.67679 75.0953 13.5624 TIMING: 2860400 CPU: 9033.39, 0.00324304/step Wall: 9033.39, 0.00324304/step, 1.92745 hours remaining, 236.933594 MB of memory in use. ENERGY: 2860400 4000.5396 20568.7437 14456.4856 239.3589 -203846.8615 2673.4151 0.0000 0.0000 52328.3331 -109579.9854 300.7316 -161908.3185 -109208.4851 299.1956 -186.0910 -160.7084 763312.3611 19.2464 19.0954 PRESSURE: 2860600 51.8099 235.697 244.685 235.697 0.354983 117.502 244.685 117.501 308.542 GPRESSURE: 2860600 96.2878 182.705 75.9047 220.94 47.4526 98.9938 363.549 208.41 317.064 PRESSAVG: 2860600 9.04555 36.7371 51.988 36.7371 -23.3656 26.8239 51.9879 26.8239 12.6718 GPRESSAVG: 2860600 9.10087 39.6927 49.7521 36.1815 -23.8352 24.4477 55.0022 27.1908 12.8635 TIMING: 2860600 CPU: 9034.03, 0.00317543/step Wall: 9034.03, 0.00317543/step, 1.88709 hours remaining, 237.136719 MB of memory in use. ENERGY: 2860600 3975.0394 20447.3149 14490.2394 253.4445 -203522.7187 2576.7250 0.0000 0.0000 52044.0348 -109735.9208 299.0978 -161779.9556 -109371.0001 298.5169 120.2357 153.6016 761899.6826 -0.5494 -0.6236 PRESSURE: 2860800 220.561 79.8679 -77.5953 79.8671 32.4231 -1.89833 -77.5949 -1.89826 309.183 GPRESSURE: 2860800 208.762 15.4722 -104.65 51.162 106.741 56.9032 -55.5765 -140.537 334.115 PRESSAVG: 2860800 -9.67312 40.5323 -16.3097 40.5323 23.9324 26.3721 -16.3097 26.372 -17.4989 GPRESSAVG: 2860800 -8.32382 40.0002 -15.2229 42.4705 23.6915 26.2493 -17.9987 28.0765 -18.4667 TIMING: 2860800 CPU: 9034.66, 0.00313913/step Wall: 9034.66, 0.00313913/step, 1.86534 hours remaining, 237.136719 MB of memory in use. ENERGY: 2860800 3960.5003 20492.0078 14513.1290 281.1279 -203861.8876 2758.7568 0.0000 0.0000 52004.5480 -109851.8178 298.8709 -161856.3658 -109495.0904 298.5697 187.3891 216.5393 762087.5190 -1.0799 -1.0330 PRESSURE: 2861000 -132.792 -221.602 -186.329 -221.603 -66.5739 53.1751 -186.329 53.1751 -60.8809 GPRESSURE: 2861000 -204.76 -252.455 -191.326 -235.857 -1.25914 154.73 -133.128 67.8838 26.7902 PRESSAVG: 2861000 -1.02705 74.106 0.827035 74.1061 -37.5642 -35.7631 0.827035 -35.7631 18.1172 GPRESSAVG: 2861000 -3.64627 72.6953 2.70479 73.5718 -36.8576 -35.1813 -1.43786 -36.4223 19.8534 TIMING: 2861000 CPU: 9035.29, 0.00314781/step Wall: 9035.29, 0.00314781/step, 1.87033 hours remaining, 237.136719 MB of memory in use. ENERGY: 2861000 3940.3632 20478.7283 14521.7730 246.1008 -203299.9074 2380.9503 0.0000 0.0000 51794.1030 -109937.8888 297.6614 -161731.9918 -109560.8766 298.2529 -86.7491 -59.7430 761514.0637 -6.8247 -6.8835 PRESSURE: 2861200 339.157 -111.828 152.863 -111.828 259.913 -50.1449 152.863 -50.1449 475.246 GPRESSURE: 2861200 354.249 -30.3564 167.629 -82.8266 322.808 -103.38 245.821 -91.7219 471.127 PRESSAVG: 2861200 7.07123 74.0535 40.1974 74.0536 -30.5873 22.1115 40.1974 22.1115 -2.71248 GPRESSAVG: 2861200 8.69633 75.0688 38.1974 73.8257 -31.5648 20.5043 43.4471 22.272 -4.04931 TIMING: 2861200 CPU: 9035.92, 0.00315101/step Wall: 9035.92, 0.00315101/step, 1.87205 hours remaining, 237.136719 MB of memory in use. ENERGY: 2861200 3961.4303 20494.8178 14548.3913 265.3673 -203849.5295 2782.9585 0.0000 0.0000 51838.6471 -109957.9170 297.9174 -161796.5641 -109603.3616 297.8773 358.1055 382.7282 760768.8575 -8.7429 -8.9726 PRESSURE: 2861400 85.7908 220.136 38.7031 220.136 -391.147 -146.718 38.7034 -146.718 158.423 GPRESSURE: 2861400 44.5689 195.332 81.2531 199.885 -263.996 -10.4549 -4.03533 -160.419 150.806 PRESSAVG: 2861400 35.2556 -3.46387 11.0833 -3.46383 -59.4792 -26.3815 11.0833 -26.3816 -2.40864 GPRESSAVG: 2861400 34.836 -3.55577 11.4806 -3.11478 -60.0822 -25.9639 8.84247 -26.3586 -1.70254 TIMING: 2861400 CPU: 9036.55, 0.00317134/step Wall: 9036.55, 0.00317134/step, 1.88395 hours remaining, 237.136719 MB of memory in use. ENERGY: 2861400 3991.5443 20402.8728 14455.5664 250.9839 -203655.5967 2755.6388 0.0000 0.0000 51847.4361 -109951.5543 297.9679 -161798.9904 -109588.4885 298.1578 -48.9775 -22.8736 761319.1875 -8.8774 -8.9829 PRESSURE: 2861600 22.3065 27.3143 -215.829 27.3135 236.139 -2.62442 -215.83 -2.62381 -156.677 GPRESSURE: 2861600 147.182 -13.6164 -220.2 118.419 223.286 -28.1419 -177.776 128.775 -180.304 PRESSAVG: 2861600 25.2324 9.33916 -48.2738 9.33908 -28.2978 25.8617 -48.2737 25.8617 -4.24186 GPRESSAVG: 2861600 24.7306 10.0498 -49.2313 10.7168 -27.9995 25.2862 -46.4032 24.8303 -4.07514 TIMING: 2861600 CPU: 9037.18, 0.00315603/step Wall: 9037.18, 0.00315603/step, 1.87468 hours remaining, 237.136719 MB of memory in use. ENERGY: 2861600 3979.9961 20355.5413 14472.3518 256.6260 -203719.4883 2750.6121 0.0000 0.0000 51953.1322 -109951.2287 298.5754 -161904.3610 -109578.8151 297.8591 33.9226 63.3879 762167.6391 -2.4357 -2.4480 PRESSURE: 2861800 -223.806 -8.34175 208.085 -8.34148 138.93 -55.6812 208.084 -55.6816 692.134 GPRESSURE: 2861800 -116.871 15.7842 200.74 -78.1793 165.46 -24.6148 106.589 74.8716 654.176 PRESSAVG: 2861800 -0.465505 13.064 -18.2012 13.064 -15.0295 -0.253511 -18.2013 -0.25355 0.727029 GPRESSAVG: 2861800 -0.223595 12.194 -18.5471 10.2994 -16.6174 1.13037 -19.5651 1.7366 1.4328 TIMING: 2861800 CPU: 9037.81, 0.00315782/step Wall: 9037.81, 0.00315782/step, 1.87557 hours remaining, 237.136719 MB of memory in use. ENERGY: 2861800 3916.9773 20413.3867 14403.3617 231.1171 -203377.6700 2599.8629 0.0000 0.0000 51748.4831 -110064.4813 297.3992 -161812.9643 -109709.7046 297.6407 202.4195 234.2552 760918.1295 -4.9227 -5.1361 PRESSURE: 2862000 120.625 -144.162 -95.5995 -144.162 -217.088 -197.523 -95.5994 -197.524 208.29 GPRESSURE: 2862000 43.1036 -91.9174 -21.9772 -155.86 -81.162 -238.548 -6.07432 -170.75 243.618 PRESSAVG: 2862000 -18.4691 -39.7072 11.094 -39.7073 -18.4313 -2.90081 11.094 -2.9008 -0.507761 GPRESSAVG: 2862000 -19.275 -39.8768 11.3875 -39.6015 -16.6771 -2.82342 11.235 -4.09569 -1.27398 TIMING: 2862000 CPU: 9038.44, 0.00315189/step Wall: 9038.44, 0.00315189/step, 1.87187 hours remaining, 237.136719 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: 2862000 3933.2178 20418.6898 14483.4822 256.8472 -203794.7240 2818.4132 0.0000 0.0000 51848.9799 -110035.0938 297.9768 -161884.0737 -109669.6193 297.3669 37.2759 68.5197 762969.8719 -12.4694 -12.4087 PRESSURE: 2862200 -54.8723 49.6542 193.783 49.6537 -29.8811 -271.614 193.784 -271.614 450.068 GPRESSURE: 2862200 53.7679 73.3563 202.236 129.733 -111.056 -275.954 138.292 -83.5398 502.727 PRESSAVG: 2862200 27.9914 -27.0241 24.8783 -27.0241 12.7073 -12.2577 24.8782 -12.2577 30.5869 GPRESSAVG: 2862200 28.0153 -28.0922 26.1838 -25.7941 12.4407 -12.1237 24.4436 -12.2596 30.9739 TIMING: 2862200 CPU: 9039.07, 0.00315383/step Wall: 9039.07, 0.00315383/step, 1.87285 hours remaining, 237.136719 MB of memory in use. ENERGY: 2862200 3985.8134 20536.9796 14513.4277 246.6774 -203792.1514 2764.3733 0.0000 0.0000 51860.2243 -109884.6555 298.0414 -161744.8799 -109537.9327 297.9979 121.7716 148.4797 761766.7677 23.7619 23.8100 PRESSURE: 2862400 -38.7329 74.5412 -243.156 74.5418 185.469 156.772 -243.157 156.772 -51.5174 GPRESSURE: 2862400 44.3124 124.399 -242.529 -35.5828 217.808 197.412 -93.0746 38.6993 -73.4815 PRESSAVG: 2862400 11.3266 -13.0158 -83.3059 -13.0158 -19.7081 -58.632 -83.3059 -58.6319 29.559 GPRESSAVG: 2862400 13.0908 -12.2026 -83.9791 -13.1964 -21.0176 -58.0134 -80.9144 -60.0082 29.4885 TIMING: 2862400 CPU: 9039.7, 0.00314568/step Wall: 9039.7, 0.00314568/step, 1.86783 hours remaining, 237.136719 MB of memory in use. ENERGY: 2862400 3953.7691 20535.4954 14463.9046 241.3171 -203295.2664 2567.8948 0.0000 0.0000 51927.5100 -109605.3755 298.4281 -161532.8855 -109243.8173 298.0848 31.7394 62.8796 762269.1684 7.0592 7.1872 PRESSURE: 2862600 68.9879 -11.914 -78.9441 -11.9141 -333.568 -152.541 -78.9443 -152.542 -335.945 GPRESSURE: 2862600 68.4341 -42.6947 -33.9267 -44.0328 -289.788 -67.5156 -24.1879 -214.887 -289.922 PRESSAVG: 2862600 -3.39664 -5.22092 -17.4902 -5.22098 -3.85684 -27.9799 -17.4902 -27.9798 -13.3138 GPRESSAVG: 2862600 -2.95015 -4.33731 -17.7033 -5.94224 -3.58101 -31.2181 -16.8746 -25.0311 -13.6534 TIMING: 2862600 CPU: 9040.34, 0.00316475/step Wall: 9040.34, 0.00316475/step, 1.87898 hours remaining, 237.136719 MB of memory in use. ENERGY: 2862600 4088.3104 20657.1316 14522.6390 226.2518 -203560.7284 2664.8712 0.0000 0.0000 51705.5366 -109695.9878 297.1524 -161401.5244 -109338.1116 298.3826 -200.1752 -170.4252 761027.8502 -6.8558 -6.7282 PRESSURE: 2862800 -322.275 -9.18808 75.6973 -9.18813 -171.068 -261.352 75.6979 -261.351 404.864 GPRESSURE: 2862800 -339.124 -15.9847 185.412 -91.7787 -64.8579 -226.962 103.053 -127.011 377.581 PRESSAVG: 2862800 -39.7947 -12.7931 -6.31156 -12.7931 19.893 -24.0142 -6.31153 -24.0142 11.1813 GPRESSAVG: 2862800 -42.2524 -14.9561 -6.17721 -11.4164 21.9859 -20.539 -10.2552 -24.8547 11.0487 TIMING: 2862800 CPU: 9040.97, 0.00315173/step Wall: 9040.97, 0.00315173/step, 1.87108 hours remaining, 237.136719 MB of memory in use. ENERGY: 2862800 3959.6170 20502.0276 14542.5442 253.7165 -203650.6573 2740.9492 0.0000 0.0000 51806.1980 -109845.6048 297.7309 -161651.8028 -109478.7416 298.5886 -29.4928 -8.8004 760258.5464 -2.9068 -3.0726 PRESSURE: 2863000 -162.261 -148.527 34.5132 -148.527 22.3088 -78.9885 34.5133 -78.9882 194.977 GPRESSURE: 2863000 -44.7337 -182.843 80.1101 -181.976 -19.2139 -83.1061 -81.8114 -30.6845 211.994 PRESSAVG: 2863000 -6.88316 -0.108243 -2.162 -0.108229 7.74126 8.63469 -2.16191 8.63466 14.3722 GPRESSAVG: 2863000 -5.32566 2.02763 -1.77808 -1.66697 6.2657 7.24873 -0.643513 10.8889 14.4723 TIMING: 2863000 CPU: 9041.6, 0.0031562/step Wall: 9041.6, 0.0031562/step, 1.87355 hours remaining, 237.136719 MB of memory in use. ENERGY: 2863000 3868.0371 20597.9183 14401.7582 256.6863 -203440.4484 2462.6950 0.0000 0.0000 52105.7089 -109747.6445 299.4522 -161853.3534 -109381.7442 298.3889 18.3413 49.3487 761119.9824 5.0768 5.1374 PRESSURE: 2863200 173.918 6.03344 11.1823 6.03357 -261.301 145.341 11.1828 145.341 361.511 GPRESSURE: 2863200 137.36 10.6416 -70.3405 28.5956 -117.931 100.12 -87.0466 191.341 335 PRESSAVG: 2863200 21.0939 -1.26973 -8.59146 -1.2697 -4.51004 79.313 -8.59151 79.313 -0.134569 GPRESSAVG: 2863200 20.0316 -2.71839 -8.20151 -1.12042 -3.36528 78.8576 -10.3885 75.6707 -0.214139 TIMING: 2863200 CPU: 9042.23, 0.00314497/step Wall: 9042.23, 0.00314497/step, 1.86672 hours remaining, 237.136719 MB of memory in use. ENERGY: 2863200 4031.0536 20352.2982 14424.7264 255.8344 -203828.9304 2907.6286 0.0000 0.0000 52350.7702 -109506.6190 300.8606 -161857.3893 -109135.0052 298.5641 91.3759 118.1430 761533.3300 5.4831 5.4841 PRESSURE: 2863400 35.4481 107.826 -9.7638 107.825 97.081 63.4651 -9.763 63.4654 -9.25464 GPRESSURE: 2863400 -11.4631 43.8799 -71.467 130.521 70.2277 109.716 8.48776 -43.6783 134.131 PRESSAVG: 2863400 -22.9149 8.96563 38.819 8.9656 38.2428 -29.2595 38.819 -29.2594 0.273601 GPRESSAVG: 2863400 -23.1743 10.3407 36.6203 10.7291 37.0795 -28.7581 40.2674 -30.5678 1.07589 TIMING: 2863400 CPU: 9042.86, 0.00316165/step Wall: 9042.86, 0.00316165/step, 1.87644 hours remaining, 237.136719 MB of memory in use. ENERGY: 2863400 4084.9536 20610.4941 14436.0626 220.6557 -203661.2483 2768.7785 0.0000 0.0000 52013.2388 -109527.0649 298.9208 -161540.3037 -109180.5939 299.4002 41.0915 64.2986 762299.3598 5.2005 4.9937 PRESSURE: 2863600 49.8649 182.09 -111.272 182.089 90.7437 32.1068 -111.273 32.1067 -227.01 GPRESSURE: 2863600 66.452 88.8461 -19.2671 233.031 200.519 -7.62992 -221.96 22.1459 -254.049 PRESSAVG: 2863600 -23.3437 -27.3988 1.40525 -27.3989 30.1367 -21.6192 1.40519 -21.6191 10.2219 GPRESSAVG: 2863600 -23.0314 -28.2867 0.747655 -28.0567 31.153 -21.912 2.68585 -19.9634 9.07507 TIMING: 2863600 CPU: 9043.49, 0.00315877/step Wall: 9043.49, 0.00315877/step, 1.87456 hours remaining, 237.136719 MB of memory in use. ENERGY: 2863600 4003.2289 20393.9947 14490.9548 252.6627 -203581.1203 2710.6800 0.0000 0.0000 52500.9972 -109228.6019 301.7240 -161729.5992 -108861.1648 298.9903 -28.8005 4.3075 761255.5955 5.6717 5.7322 PRESSURE: 2863800 -86.6445 51.3778 218.167 51.3778 18.713 255.08 218.167 255.08 226.289 GPRESSURE: 2863800 -65.653 -40.9847 160.403 154.221 39.2088 331.276 164.579 230.724 273.988 PRESSAVG: 2863800 21.3505 23.2339 19.3441 23.2339 -12.0035 22.3483 19.3441 22.3482 -1.19275 GPRESSAVG: 2863800 21.7285 25.5119 22.8603 20.7015 -12.4882 22.4501 19.0792 21.4969 -1.1475 TIMING: 2863800 CPU: 9044.12, 0.00315374/step Wall: 9044.12, 0.00315374/step, 1.8714 hours remaining, 237.136719 MB of memory in use. ENERGY: 2863800 3927.7834 20598.4151 14441.6605 236.8400 -202990.1816 2491.4684 0.0000 0.0000 52199.1438 -109094.8704 299.9892 -161294.0142 -108731.7596 299.8524 52.7857 82.5146 763513.7099 2.7181 2.6976 PRESSURE: 2864000 -116.588 -109.673 57.3959 -109.672 -286.067 322.574 57.3967 322.573 -53.7417 GPRESSURE: 2864000 -136.483 3.66747 77.473 -172.994 -257.252 202.712 58.1999 308.538 20.8765 PRESSAVG: 2864000 43.9761 4.61167 27.6411 4.61161 -41.2412 -0.48312 27.6412 -0.483171 10.1984 GPRESSAVG: 2864000 43.5358 5.06735 25.1888 5.86367 -40.6429 -2.66005 26.6338 0.00710073 9.84838 TIMING: 2864000 CPU: 9044.75, 0.00314971/step Wall: 9044.75, 0.00314971/step, 1.86883 hours remaining, 237.136719 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: 2864000 3897.8471 20576.9315 14478.8899 257.2024 -203238.8761 2549.2180 0.0000 0.0000 52336.7778 -109142.0093 300.7802 -161478.7871 -108784.3767 300.1670 -152.1323 -124.2860 762327.1290 4.3111 4.2471 PRESSURE: 2864200 -53.9487 53.7301 -32.0978 53.7299 21.8128 50.4912 -32.0976 50.4918 77.7236 GPRESSURE: 2864200 14.9347 31.9597 -5.4029 135.396 83.8473 56.1874 49.4481 17.6597 28.9183 PRESSAVG: 2864200 9.43951 13.3899 7.62759 13.39 39.8852 -8.56839 7.62763 -8.56842 -1.25619 GPRESSAVG: 2864200 8.78916 12.3131 7.77341 13.9453 39.4534 -6.52778 10.0405 -7.46585 -0.556208 TIMING: 2864200 CPU: 9045.38, 0.00316191/step Wall: 9045.38, 0.00316191/step, 1.87589 hours remaining, 237.136719 MB of memory in use. ENERGY: 2864200 3972.5238 20470.9626 14438.4154 264.7101 -203150.5015 2664.6700 0.0000 0.0000 52213.3596 -109125.8600 300.0709 -161339.2195 -108771.4127 299.8837 15.1959 42.5668 761662.1791 16.0229 15.8955 LDB: ============= START OF LOAD BALANCING ============== 9057.92 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9057.92 LDB: =============== DONE WITH MIGRATION ================ 9057.92 LDB: ============= START OF LOAD BALANCING ============== 9058.24 LDB: Largest compute 7072 load 0.031918 is 16.3% of average load 0.195524 LDB: Average compute 0.004396 is 2.2% of average load 0.195524 LDB: TIME 9058.24 LOAD: AVG 0.195524 MAX 0.215778 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.047 MB LDB: TIME 9058.24 LOAD: AVG 0.195524 MAX 0.215778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: TIME 9058.24 LOAD: AVG 0.195524 MAX 0.215778 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.047 MB LDB: ============== END OF LOAD BALANCING =============== 9058.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9058.25 PRESSURE: 2864400 192.457 -92.2294 -35.4028 -92.2302 291.398 -10.0697 -35.4025 -10.0695 -142.51 GPRESSURE: 2864400 196.282 -88.3314 -14.9722 -93.5317 282.016 92.4488 -111.334 -58.3214 -69.5136 PRESSAVG: 2864400 25.5068 -5.16703 -18.6669 -5.16707 20.5577 38.8225 -18.6669 38.8224 14.6122 GPRESSAVG: 2864400 25.7842 -5.43962 -17.9628 -4.72669 19.8495 38.9805 -19.7365 37.6666 14.7143 TIMING: 2864400 CPU: 9046.03, 0.00323094/step Wall: 9046.03, 0.00323094/step, 1.91667 hours remaining, 236.449219 MB of memory in use. ENERGY: 2864400 3966.8981 20509.5195 14383.2105 254.5351 -203186.7788 2679.0080 0.0000 0.0000 52075.0808 -109318.5268 299.2762 -161393.6076 -108957.4820 300.0308 113.7819 136.2615 761338.5148 20.2256 20.1160 PRESSURE: 2864600 -274.411 154.954 76.9414 154.954 -114.315 68.6863 76.9415 68.686 441.225 GPRESSURE: 2864600 -237.2 223.954 -7.89826 41.3252 -18.8089 63.8423 -27.9874 92.841 413.216 PRESSAVG: 2864600 -21.3388 -7.98166 31.3663 -7.98167 33.3224 -24.7715 31.3663 -24.7715 4.64267 GPRESSAVG: 2864600 -19.895 -8.56745 29.9334 -10.5622 33.8843 -24.1765 30.4526 -20.4236 3.36212 TIMING: 2864600 CPU: 9046.66, 0.0031473/step Wall: 9046.66, 0.0031473/step, 1.86687 hours remaining, 236.574219 MB of memory in use. ENERGY: 2864600 3964.1507 20337.6528 14459.7588 237.6283 -203105.7808 2732.5196 0.0000 0.0000 52027.1679 -109346.9027 299.0008 -161374.0705 -108977.9590 299.5608 17.4996 52.4024 762547.0151 5.5421 5.7838 PRESSURE: 2864800 -167.074 124.858 -47.2695 124.858 9.19259 318.556 -47.2684 318.557 -330.969 GPRESSURE: 2864800 -116.069 121.915 -57.9007 8.92177 -64.0019 262.799 -114.021 125.929 -234.38 PRESSAVG: 2864800 -28.4071 26.3398 -30.7378 26.3399 31.554 40.0349 -30.7378 40.0349 4.96441 GPRESSAVG: 2864800 -27.7807 26.551 -30.0636 26.582 30.42 41.1464 -29.002 35.5394 5.73691 TIMING: 2864800 CPU: 9047.29, 0.00315464/step Wall: 9047.29, 0.00315464/step, 1.87105 hours remaining, 236.777344 MB of memory in use. ENERGY: 2864800 4062.3343 20602.9273 14458.4473 241.4700 -203274.4219 2414.2312 0.0000 0.0000 52126.1853 -109368.8265 299.5699 -161495.0118 -109018.4443 298.8970 -162.9502 -138.1502 761118.5834 2.7038 2.7920 PRESSURE: 2865000 -180.802 71.4974 -243.791 71.497 165.833 -116.422 -243.791 -116.422 -58.6364 GPRESSURE: 2865000 -149.963 13.2187 -192.586 91.0326 176.125 -132.358 -174.165 -41.5153 -3.08125 PRESSAVG: 2865000 -16.0622 38.8382 23.0488 38.8382 24.7076 44.8006 23.0487 44.8005 37.3932 GPRESSAVG: 2865000 -17.4598 40.2791 24.9175 39.7681 26.3929 43.516 20.6322 45.3137 37.0734 TIMING: 2865000 CPU: 9047.92, 0.00316802/step Wall: 9047.92, 0.00316802/step, 1.87881 hours remaining, 236.777344 MB of memory in use. ENERGY: 2865000 3959.3821 20501.7069 14425.4180 244.7072 -203176.2320 2669.0582 0.0000 0.0000 52123.4252 -109252.5345 299.5540 -161375.9596 -108891.7137 299.3965 -24.5351 7.6937 761690.3901 15.3462 15.3355 PRESSURE: 2865200 -88.7731 -50.3597 -181.155 -50.3596 271.941 -232.872 -181.154 -232.872 401.253 GPRESSURE: 2865200 36.6572 38.4837 -164.844 -205.165 312.113 -207.923 -88.0712 -174.068 326.343 PRESSAVG: 2865200 -57.819 2.9383 14.7951 2.93832 33.8906 17.9111 14.7951 17.9112 7.83878 GPRESSAVG: 2865200 -56.2789 1.68862 12.6313 3.96808 34.1799 17.9218 16.7031 18.8 6.50416 TIMING: 2865200 CPU: 9048.56, 0.00316595/step Wall: 9048.56, 0.00316595/step, 1.87741 hours remaining, 236.777344 MB of memory in use. ENERGY: 2865200 4026.2211 20517.0461 14452.6290 259.5811 -203428.6513 2760.6130 0.0000 0.0000 52129.3722 -109283.1888 299.5882 -161412.5610 -108918.4804 299.4129 194.8072 225.0377 760650.5347 -5.3632 -5.1983 PRESSURE: 2865400 -476.918 124.99 83.2573 124.991 -298.998 49.1172 83.2575 49.1176 -80.0193 GPRESSURE: 2865400 -354.696 151.439 -33.5306 156.463 -350.341 -9.80941 68.0961 82.2388 -76.0427 PRESSAVG: 2865400 30.4437 10.98 -1.01762 10.98 19.4684 -42.0394 -1.01764 -42.0393 39.6777 GPRESSAVG: 2865400 29.7782 10.9666 -0.463511 9.29525 18.7966 -41.4638 -2.40125 -43.1945 41.3465 TIMING: 2865400 CPU: 9049.19, 0.00315616/step Wall: 9049.19, 0.00315616/step, 1.87143 hours remaining, 236.777344 MB of memory in use. ENERGY: 2865400 4061.9764 20594.1837 14432.8842 247.7036 -203021.4678 2368.1727 0.0000 0.0000 52016.1927 -109300.3545 298.9378 -161316.5471 -108939.9161 299.4476 -285.3118 -260.3598 764457.2716 29.8633 29.9738 PRESSURE: 2865600 -256.672 -162.826 -242.741 -162.826 121.386 -203.964 -242.741 -203.964 398.861 GPRESSURE: 2865600 -187.633 -139.464 -175.92 -173.498 148.533 -157.259 -227.477 -184.449 377.929 PRESSAVG: 2865600 -37.3767 -2.60425 42.7537 -2.60432 28.2308 27.3037 42.7537 27.3036 -17.8474 GPRESSAVG: 2865600 -36.4429 -2.8222 44.0081 -2.19186 28.8076 26.3484 42.3679 27.3741 -18.7951 TIMING: 2865600 CPU: 9049.82, 0.00316948/step Wall: 9049.82, 0.00316948/step, 1.87915 hours remaining, 236.777344 MB of memory in use. ENERGY: 2865600 3969.2524 20210.1425 14477.6677 236.0235 -203370.5693 2947.8546 0.0000 0.0000 52192.3048 -109337.3238 299.9499 -161529.6286 -108972.5907 298.8742 87.8587 112.9429 763582.1231 -8.9978 -8.8102 PRESSURE: 2865800 -241.149 -22.5155 19.7889 -22.5167 19.3064 -219.957 19.789 -219.957 -197.387 GPRESSURE: 2865800 -213.027 -109.229 -47.1125 13.9001 39.4729 -229.374 12.5407 -232.244 -197.978 PRESSAVG: 2865800 36.2095 -14.22 72.9991 -14.2199 -17.6011 31.2079 72.9991 31.2079 -8.45421 GPRESSAVG: 2865800 35.3632 -15.4865 72.4165 -12.1836 -16.9634 31.0539 72.7275 31.1202 -7.9787 TIMING: 2865800 CPU: 9050.46, 0.00317784/step Wall: 9050.46, 0.00317784/step, 1.88393 hours remaining, 236.777344 MB of memory in use. ENERGY: 2865800 3914.3891 20532.6327 14428.8584 240.8991 -202779.2819 2286.9491 0.0000 0.0000 51831.6209 -109543.9326 297.8770 -161375.5535 -109181.4489 299.0430 -139.7430 -123.8440 763626.2469 3.3847 3.4737 PRESSURE: 2866000 -60.3398 180.5 -123.861 180.501 -13.2831 -141.046 -123.86 -141.046 -489.676 GPRESSURE: 2866000 -17.7008 99.1745 -149.789 -10.6968 40.9998 -99.3669 35.7574 20.1923 -484.42 PRESSAVG: 2866000 6.98239 35.6638 6.65065 35.6638 -21.9266 31.0925 6.65059 31.0925 -11.0557 GPRESSAVG: 2866000 5.62961 37.8884 7.83256 31.7676 -22.3675 31.7609 5.77874 33.2319 -8.94896 TIMING: 2866000 CPU: 9051.1, 0.00319114/step Wall: 9051.1, 0.00319114/step, 1.89164 hours remaining, 236.777344 MB of memory 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 3845.3062 20509.5571 14494.9103 251.3492 -203082.7257 2594.7489 0.0000 0.0000 52064.2343 -109322.6199 299.2139 -161386.8541 -108962.9052 298.6454 -187.7663 -153.7071 762065.1486 -8.6666 -8.5623 PRESSURE: 2866200 184.266 -47.1084 95.6323 -47.1087 -60.2199 -0.892158 95.6325 -0.891726 -369.357 GPRESSURE: 2866200 106.05 -156.135 -27.1149 6.42877 26.4928 -30.9275 71.664 -112.037 -277.883 PRESSAVG: 2866200 -4.50454 -8.57328 -20.5649 -8.57327 -1.12422 -35.2894 -20.565 -35.2894 -9.77903 GPRESSAVG: 2866200 -3.10684 -11.1836 -22.7313 -4.27776 -0.142532 -36.2806 -19.2101 -37.1618 -11.8346 TIMING: 2866200 CPU: 9051.73, 0.00316775/step Wall: 9051.73, 0.00316775/step, 1.8776 hours remaining, 236.820312 MB of memory in use. ENERGY: 2866200 3928.3475 20435.1648 14511.5123 234.1084 -203680.2337 2913.7425 0.0000 0.0000 52302.6402 -109354.7180 300.5840 -161657.3583 -108999.4606 299.0926 -81.7704 -48.4465 763255.1860 -5.1359 -5.0280 PRESSURE: 2866400 -19.8202 -20.2895 -99.8345 -20.2892 130.984 -46.4624 -99.8348 -46.4628 51.2487 GPRESSURE: 2866400 -50.5903 26.8909 -87.7239 116.444 150.609 41.0268 -43.923 -25.631 135.869 PRESSAVG: 2866400 30.7928 -25.4758 -36.0493 -25.4758 -7.31325 -27.6382 -36.0493 -27.6383 -9.80399 GPRESSAVG: 2866400 31.0479 -22.6071 -35.2386 -28.498 -7.85136 -26.0189 -38.4264 -28.9742 -9.9071 TIMING: 2866400 CPU: 9052.37, 0.0031768/step Wall: 9052.37, 0.0031768/step, 1.88278 hours remaining, 236.820312 MB of memory in use. ENERGY: 2866400 4079.5781 20444.2308 14465.3825 260.1806 -203397.7095 2856.3554 0.0000 0.0000 52106.4746 -109185.5076 299.4566 -161291.9822 -108832.9579 299.7239 54.1374 78.6293 762412.0714 4.5585 4.4298 PRESSURE: 2866600 -272.785 6.64101 -58.8558 6.64135 -134.288 -61.2112 -58.8561 -61.2102 -178.648 GPRESSURE: 2866600 -172.362 -6.44114 -46.9873 39.6535 -49.3131 -99.0354 -19.8509 140.737 -277.03 PRESSAVG: 2866600 -9.48873 -24.4584 -36.8741 -24.4583 17.8346 -41.4222 -36.8741 -41.4222 -10.1329 GPRESSAVG: 2866600 -8.7198 -24.6588 -36.4316 -25.5042 17.3301 -42.4475 -35.9324 -40.5656 -10.9005 TIMING: 2866600 CPU: 9053, 0.00316335/step Wall: 9053, 0.00316335/step, 1.87463 hours remaining, 236.820312 MB of memory in use. ENERGY: 2866600 3984.3565 20461.9528 14402.0232 254.1123 -202511.3162 2262.7186 0.0000 0.0000 51723.7870 -109422.3658 297.2573 -161146.1528 -109068.0662 298.4503 -195.2403 -166.2351 763618.7741 -0.5957 -0.7634 PRESSURE: 2866800 126.302 -66.6391 -8.71638 -66.6387 -230.69 53.1124 -8.71563 53.1114 -245.872 GPRESSURE: 2866800 176.971 128.608 29.2424 118.968 -226.769 46.9306 12.9512 -61.4219 -209.099 PRESSAVG: 2866800 -70.6629 -36.3052 -5.36015 -36.3051 40.8639 30.1809 -5.36019 30.1809 12.8853 GPRESSAVG: 2866800 -71.8498 -35.166 -6.24197 -34.096 42.2049 31.8017 -3.88415 29.969 12.7267 TIMING: 2866800 CPU: 9053.64, 0.00319855/step Wall: 9053.64, 0.00319855/step, 1.89532 hours remaining, 236.820312 MB of memory in use. ENERGY: 2866800 3925.7632 20372.7063 14444.9615 247.9297 -203385.8182 2840.2698 0.0000 0.0000 52085.9090 -109468.2786 299.3384 -161554.1876 -109097.7822 298.0186 -116.7534 -86.2991 764104.1299 -5.6379 -5.6394 PRESSURE: 2867000 46.5 -9.58132 -49.6936 -9.58165 -319.791 128.536 -49.6928 128.536 400.977 GPRESSURE: 2867000 75.7973 38.1123 -82.5301 -5.38697 -272.015 69.2851 -47.7296 12.7915 414.957 PRESSAVG: 2867000 30.3473 -29.2052 54.8113 -29.2052 25.0797 28.1891 54.8113 28.1891 18.8275 GPRESSAVG: 2867000 31.0005 -31.8267 56.6469 -29.544 22.7239 27.4992 52.8029 28.3711 20.3965 TIMING: 2867000 CPU: 9054.27, 0.00316965/step Wall: 9054.27, 0.00316965/step, 1.87802 hours remaining, 236.820312 MB of memory in use. ENERGY: 2867000 3982.7221 20362.0477 14499.8685 239.6392 -203340.9847 2822.4488 0.0000 0.0000 51652.0268 -109782.2317 296.8449 -161434.2585 -109422.1946 298.1452 42.5620 72.9129 763642.7844 24.7515 24.7070 PRESSURE: 2867200 34.8016 76.5414 -284.735 76.541 273.299 -172.324 -284.735 -172.324 359.987 GPRESSURE: 2867200 1.90328 47.9084 -266.9 37.1187 420.289 -109.068 -182.08 -174.059 339.361 PRESSAVG: 2867200 -3.29963 1.45899 -2.63098 1.45903 -7.40567 -23.516 -2.63105 -23.5161 -13.2327 GPRESSAVG: 2867200 -3.58709 -0.340586 -1.60487 0.61389 -5.67859 -24.864 -2.48585 -24.2253 -14.8234 TIMING: 2867200 CPU: 9054.9, 0.00316205/step Wall: 9054.9, 0.00316205/step, 1.87334 hours remaining, 236.820312 MB of memory in use. ENERGY: 2867200 4034.4132 20396.6443 14383.0604 260.3158 -203836.7858 3024.5417 0.0000 0.0000 51854.2733 -109883.5371 298.0072 -161737.8104 -109520.9169 297.9424 222.6961 253.8512 763568.7614 -7.9793 -8.0297 PRESSURE: 2867400 143.89 135.666 -104.502 135.666 -33.7673 -73.0359 -104.502 -73.0346 -21.3748 GPRESSURE: 2867400 120.419 18.9198 -146.649 82.7827 21.9199 -107.302 -132.312 -75.5325 5.61056 PRESSAVG: 2867400 11.4501 -12.8237 31.8299 -12.8237 12.4455 -6.34385 31.8299 -6.34377 4.48315 GPRESSAVG: 2867400 10.3487 -11.1369 30.5506 -12.6385 11.8943 -6.79654 31.9787 -3.26079 5.56468 TIMING: 2867400 CPU: 9055.54, 0.0031734/step Wall: 9055.54, 0.00317341/step, 1.87989 hours remaining, 236.820312 MB of memory in use. ENERGY: 2867400 4024.7946 20387.3541 14459.6062 249.9681 -203746.5108 2991.9789 0.0000 0.0000 52132.5535 -109500.2554 299.6065 -161632.8089 -109127.7183 298.5933 29.5827 49.3164 762399.5380 9.4596 9.2692 PRESSURE: 2867600 119.79 -287.487 -48.5095 -287.487 -173.598 55.7747 -48.5099 55.7734 177.525 GPRESSURE: 2867600 110.677 -265.79 -81.5945 -282.776 -97.578 22.9486 66.012 41.7602 207.912 PRESSAVG: 2867600 -23.4155 -13.0991 3.73626 -13.0991 1.41272 -11.687 3.73625 -11.687 6.02985 GPRESSAVG: 2867600 -23.0921 -13.8463 3.82698 -10.947 1.94821 -10.8918 5.50287 -12.5615 5.35526 TIMING: 2867600 CPU: 9056.17, 0.00317198/step Wall: 9056.17, 0.00317198/step, 1.87887 hours remaining, 236.820312 MB of memory in use. ENERGY: 2867600 4044.3117 20300.3015 14510.1817 272.3189 -203471.7906 2740.2258 0.0000 0.0000 52184.2947 -109420.1563 299.9039 -161604.4510 -109045.5273 298.7501 41.2391 73.6701 762484.9273 -5.3243 -5.2629 PRESSURE: 2867800 215.279 -96.3243 155.09 -96.3246 42.8103 238.983 155.09 238.984 133.939 GPRESSURE: 2867800 278.879 -97.5719 147.411 8.22955 70.8556 245.352 139.674 112.457 135.355 PRESSAVG: 2867800 17.7708 -13.3737 46.9731 -13.3736 -35.53 -5.70453 46.9732 -5.70459 -4.85336 GPRESSAVG: 2867800 17.2429 -13.509 46.6045 -13.365 -36.1733 -5.01938 47.5081 -5.85589 -3.2944 TIMING: 2867800 CPU: 9056.81, 0.00315726/step Wall: 9056.81, 0.00315726/step, 1.86998 hours remaining, 236.820312 MB of memory in use. ENERGY: 2867800 4001.7186 20510.2200 14390.0109 246.8436 -203574.7359 2856.2483 0.0000 0.0000 51917.1664 -109652.5282 298.3687 -161569.6945 -109289.9634 298.6681 130.6759 161.6963 762293.9434 -7.5375 -7.4082 PRESSURE: 2868000 -307.135 -203.073 203.836 -203.074 -298.654 -221.948 203.837 -221.948 210.259 GPRESSURE: 2868000 -146.391 -67.3457 165.276 -132.786 -352.576 -159.231 141.722 -308.401 202.97 PRESSAVG: 2868000 -25.568 -57.0126 75.574 -57.0126 12.1244 -39.7042 75.574 -39.7042 -4.65071 GPRESSAVG: 2868000 -24.4187 -57.3443 76.0615 -58.4688 11.8218 -40.8182 74.4796 -39.3383 -6.22535 TIMING: 2868000 CPU: 9057.44, 0.00316524/step Wall: 9057.44, 0.00316524/step, 1.87452 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: 2868000 4053.0889 20477.4514 14461.9329 226.4627 -203635.3119 2906.2395 0.0000 0.0000 51892.3377 -109617.7988 298.2260 -161510.1365 -109253.2215 298.7340 -131.8432 -98.6655 762281.6525 -6.0314 -6.2741 PRESSURE: 2868200 172.191 57.6365 239.516 57.6364 -100.814 -13.0929 239.516 -13.0943 -86.9601 GPRESSURE: 2868200 181.217 42.7115 191.03 -10.1831 -24.8052 83.3214 156.626 -30.0539 -104.663 PRESSAVG: 2868200 -9.26375 45.8739 31.6462 45.8739 -5.5364 3.0751 31.6462 3.07515 -4.63418 GPRESSAVG: 2868200 -10.258 47.0858 31.6132 46.8859 -5.8347 3.04078 32.6552 2.72132 -3.5364 TIMING: 2868200 CPU: 9058.07, 0.00317972/step Wall: 9058.07, 0.00317972/step, 1.88292 hours remaining, 236.820312 MB of memory in use. ENERGY: 2868200 3953.9312 20695.3547 14382.2505 272.0731 -203361.5973 2655.6205 0.0000 0.0000 51810.5614 -109591.8059 297.7560 -161402.3673 -109237.7893 298.9167 -5.1944 17.2494 763917.7100 -6.4781 -6.5430 LDB: ============= START OF LOAD BALANCING ============== 9070.61 LDB: ============== END OF LOAD BALANCING =============== 9070.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9070.61 LDB: ============= START OF LOAD BALANCING ============== 9070.93 LDB: Largest compute 7026 load 0.032415 is 16.6% of average load 0.195477 LDB: Average compute 0.004397 is 2.2% of average load 0.195477 LDB: TIME 9070.93 LOAD: AVG 0.195477 MAX 0.213051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.965 MB LDB: TIME 9070.93 LOAD: AVG 0.195477 MAX 0.213051 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: TIME 9070.93 LOAD: AVG 0.195477 MAX 0.213051 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: ============== END OF LOAD BALANCING =============== 9070.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9070.94 PRESSURE: 2868400 303.078 -99.3951 -89.9791 -99.3952 111.118 107.371 -89.9803 107.371 -397.305 GPRESSURE: 2868400 304.018 -32.797 -101.686 -57.0466 215.382 118.245 -36.6606 105.953 -425.086 PRESSAVG: 2868400 -35.8097 19.8459 4.06504 19.846 1.68499 18.0244 4.06506 18.0243 18.9527 GPRESSAVG: 2868400 -35.2663 19.2401 2.52059 20.205 1.56742 18.4757 3.52788 19.0268 18.1322 TIMING: 2868400 CPU: 9058.72, 0.00323016/step Wall: 9058.72, 0.00323016/step, 1.91262 hours remaining, 234.882812 MB of memory in use. ENERGY: 2868400 3992.1410 20474.5984 14441.0638 243.8668 -203623.1668 2985.2596 0.0000 0.0000 51769.7928 -109716.4445 297.5217 -161486.2373 -109355.4425 298.6944 5.6301 31.4380 760454.7717 -5.0573 -5.1889 PRESSURE: 2868600 126.014 317.089 10.8824 317.089 11.24 169.324 10.8826 169.325 -526.636 GPRESSURE: 2868600 197.646 209.388 71.664 244.362 6.32782 124.162 -41.1458 -15.16 -513.554 PRESSAVG: 2868600 3.00076 42.779 21.2605 42.779 4.64844 22.4539 21.2606 22.454 19.115 GPRESSAVG: 2868600 2.73497 42.7606 21.1457 41.9567 4.27983 22.4568 22.6334 20.7626 19.1747 TIMING: 2868600 CPU: 9059.35, 0.00315634/step Wall: 9059.35, 0.00315634/step, 1.86873 hours remaining, 234.882812 MB of memory in use. ENERGY: 2868600 3932.9167 20498.0404 14403.8904 237.8112 -203549.9421 2909.1995 0.0000 0.0000 52080.0255 -109488.0585 299.3046 -161568.0839 -109125.5872 298.8871 -129.7940 -103.1935 761052.0324 8.9214 8.7298 PRESSURE: 2868800 159.81 -137.164 360.438 -137.164 324.283 -169.772 360.438 -169.772 469.642 GPRESSURE: 2868800 326.14 -192.644 319.867 -149.788 307.057 -129.563 309.73 -46.2952 415.905 PRESSAVG: 2868800 -31.5828 19.3865 8.46124 19.3864 24.9426 10.803 8.46122 10.8029 0.31567 GPRESSAVG: 2868800 -30.8631 19.1585 8.13595 20.4514 25.35 10.5992 7.91835 10.3608 -0.424672 TIMING: 2868800 CPU: 9059.98, 0.0031438/step Wall: 9059.98, 0.0031438/step, 1.86113 hours remaining, 234.882812 MB of memory in use. ENERGY: 2868800 4017.8457 20421.1258 14489.3322 276.0568 -203954.3243 3164.2866 0.0000 0.0000 51969.1773 -109616.4998 298.6676 -161585.6772 -109251.7608 299.2453 317.9115 349.7005 759989.1279 -2.1082 -1.9792 PRESSURE: 2869000 -188.346 60.4143 -163.325 60.4143 -82.5024 -246.688 -163.326 -246.688 -198.859 GPRESSURE: 2869000 -124.111 91.9807 -109.263 117.657 -42.272 -312.138 -184.952 -238.839 -229.467 PRESSAVG: 2869000 -18.2719 11.582 16.0993 11.582 24.0892 -19.4688 16.0993 -19.4688 -6.52746 GPRESSAVG: 2869000 -18.8908 10.8359 18.7424 11.1747 23.6282 -18.0952 16.4087 -15.7127 -5.85804 TIMING: 2869000 CPU: 9060.61, 0.00315843/step Wall: 9060.61, 0.00315843/step, 1.86961 hours remaining, 234.882812 MB of memory in use. ENERGY: 2869000 4039.6803 20379.1054 14423.8190 239.0658 -203688.9893 2688.9952 0.0000 0.0000 52034.3329 -109883.9907 299.0420 -161918.3236 -109515.9591 298.9593 -156.5690 -131.9501 759396.0754 -0.2367 -0.3735 PRESSURE: 2869200 -312.537 -203.011 -110.166 -203.011 57.7931 63.1683 -110.165 63.1686 -118.143 GPRESSURE: 2869200 -295.276 -217.084 -112.314 -221.509 198.365 9.59323 -153.419 111.591 -172.73 PRESSAVG: 2869200 -49.4011 -25.0336 49.8858 -25.0336 24.9358 -57.348 49.8859 -57.3481 7.39455 GPRESSAVG: 2869200 -49.5277 -26.6107 47.4251 -25.6981 26.1174 -58.0219 49.4202 -58.4654 6.53134 TIMING: 2869200 CPU: 9061.25, 0.00316804/step Wall: 9061.25, 0.00316804/step, 1.87513 hours remaining, 234.953125 MB of memory in use. ENERGY: 2869200 3945.6132 20571.6139 14374.1458 243.8254 -203127.3717 2539.9894 0.0000 0.0000 51569.7750 -109882.4091 296.3722 -161452.1840 -109533.8617 298.1533 -124.2958 -89.8804 763204.5363 -5.6903 -5.6263 PRESSURE: 2869400 274.328 -27.3056 121.967 -27.3057 103.909 226.25 121.966 226.251 359.698 GPRESSURE: 2869400 280.969 2.67795 132.911 -46.2134 233.046 246.466 118.253 190.418 318.914 PRESSAVG: 2869400 29.5635 12.2756 -17.77 12.2756 -38.1521 -7.39263 -17.77 -7.39253 -6.27186 GPRESSAVG: 2869400 29.0872 14.2256 -17.4851 12.9221 -38.0991 -6.87018 -17.8731 -7.63493 -5.41226 TIMING: 2869400 CPU: 9061.88, 0.00315813/step Wall: 9061.88, 0.00315813/step, 1.86908 hours remaining, 234.953125 MB of memory in use. ENERGY: 2869400 3928.3039 20453.1085 14409.8924 237.4914 -203548.1378 2931.8309 0.0000 0.0000 51859.1357 -109728.3750 298.0352 -161587.5107 -109369.0475 298.1729 245.9781 277.6431 760886.1430 -4.9535 -4.8081 PRESSURE: 2869600 33.1378 -200.492 -40.0975 -200.492 -4.05387 362.502 -40.0986 362.503 -42.4255 GPRESSURE: 2869600 91.8935 11.4464 -29.1391 -222.59 -12.088 287.262 0.0744704 250.466 -7.59705 PRESSAVG: 2869600 19.9872 13.4201 -52.6122 13.4201 -16.9757 6.99801 -52.6122 6.99799 0.846015 GPRESSAVG: 2869600 21.8077 14.0828 -51.9953 12.8534 -17.7829 5.46693 -54.7674 6.9981 0.383137 TIMING: 2869600 CPU: 9062.51, 0.00316317/step Wall: 9062.51, 0.00316317/step, 1.87189 hours remaining, 235.156250 MB of memory in use. ENERGY: 2869600 4035.8120 20391.3964 14425.8360 234.8693 -203455.9043 2748.3062 0.0000 0.0000 52243.6647 -109376.0197 300.2451 -161619.6844 -109017.4391 298.7436 -4.4472 24.0695 762044.6786 1.2859 1.4693 PRESSURE: 2869800 331.659 -56.7917 31.3074 -56.7912 274.178 -79.9482 31.3073 -79.947 15.7152 GPRESSURE: 2869800 356.573 -63.5663 14.4813 -42.8121 353.049 -57.3341 -9.88748 -116.76 -8.26062 PRESSAVG: 2869800 -37.7656 -77.2025 -7.27808 -77.2026 19.019 0.19867 -7.27806 0.198643 20.6805 GPRESSAVG: 2869800 -38.3521 -77.5618 -7.87586 -75.3448 19.7437 2.75323 -6.89681 -0.765511 20.3519 TIMING: 2869800 CPU: 9063.14, 0.00316154/step Wall: 9063.14, 0.00316153/step, 1.87075 hours remaining, 235.156250 MB of memory in use. ENERGY: 2869800 3929.8840 20463.0869 14408.1694 230.2309 -203563.1982 2898.7353 0.0000 0.0000 52025.6554 -109607.4362 298.9922 -161633.0916 -109247.3978 299.0462 207.1843 233.7873 762085.8951 0.6446 0.5812 PRESSURE: 2870000 -187.864 52.4262 8.82754 52.4257 -84.4204 67.876 8.82791 67.875 -260.564 GPRESSURE: 2870000 -188.432 107.195 22.4942 -117.258 -34.2252 95.2304 8.17901 -12.7106 -211.529 PRESSAVG: 2870000 -12.8799 -61.0119 -19.3101 -61.0119 -10.0356 14.906 -19.3102 14.906 -4.32134 GPRESSAVG: 2870000 -13.087 -61.1834 -18.3161 -61.8588 -10.1311 12.7814 -18.1691 14.5138 -3.5453 TIMING: 2870000 CPU: 9063.78, 0.00317174/step Wall: 9063.78, 0.00317174/step, 1.87661 hours remaining, 235.156250 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: 2870000 3980.4483 20348.7491 14374.6377 229.3804 -202794.8738 2327.3725 0.0000 0.0000 51856.3727 -109677.9131 298.0193 -161534.2858 -109317.0249 298.5258 -177.6164 -144.7287 763545.3600 -9.0790 -8.9211 PRESSURE: 2870200 -179.632 31.7803 -460.37 31.7804 -269.508 -118.473 -460.371 -118.474 -809.777 GPRESSURE: 2870200 -190.914 129.336 -452.338 61.9683 -221.367 -203.947 -392.866 -132.749 -755.824 PRESSAVG: 2870200 -20.504 -7.65623 -28.4562 -7.65625 60.342 3.2894 -28.4562 3.2894 1.3229 GPRESSAVG: 2870200 -19.7204 -7.68585 -30.1182 -7.62126 60.5899 4.2616 -27.0652 3.74521 0.713186 TIMING: 2870200 CPU: 9064.41, 0.00315566/step Wall: 9064.41, 0.00315566/step, 1.86692 hours remaining, 235.156250 MB of memory in use. ENERGY: 2870200 3999.4128 20592.2985 14412.0793 234.8331 -203455.0709 2606.2223 0.0000 0.0000 52046.2004 -109564.0245 299.1102 -161610.2248 -109209.8477 298.8737 -419.6394 -389.3683 761904.9958 13.7203 13.8609 PRESSURE: 2870400 -156.998 -319.4 -165.432 -319.4 -314.192 -71.375 -165.433 -71.3753 -89.1358 GPRESSURE: 2870400 -83.8413 -333.361 -211.409 -360.297 -343.285 -163.04 46.6895 -112.924 -41.3851 PRESSAVG: 2870400 -15.5106 -50.5264 -19.2302 -50.5264 22.6757 -34.1921 -19.2302 -34.192 9.11644 GPRESSAVG: 2870400 -16.1384 -50.6587 -18.8646 -50.6411 22.3805 -35.8881 -18.4201 -33.5304 10.0907 TIMING: 2870400 CPU: 9065.04, 0.00314586/step Wall: 9065.04, 0.00314586/step, 1.86095 hours remaining, 235.156250 MB of memory in use. ENERGY: 2870400 4019.8655 20415.0686 14434.6788 252.5738 -203370.6696 2596.8996 0.0000 0.0000 51877.8980 -109773.6853 298.1430 -161651.5832 -109409.4207 298.6197 -186.7753 -156.1703 760801.9832 5.4272 5.4443 PRESSURE: 2870600 43.7657 -59.1332 37.54 -59.1333 -29.1464 121.396 37.5402 121.397 -94.2028 GPRESSURE: 2870600 43.3544 44.2249 27.6442 54.2044 44.8993 104.393 -60.3328 69.0328 -67.879 PRESSAVG: 2870600 49.2983 25.2757 25.7572 25.2757 -32.3785 -9.1275 25.7572 -9.12749 -9.28068 GPRESSAVG: 2870600 49.4716 25.2001 25.0626 23.025 -31.6479 -8.9382 25.4042 -10.1609 -10.6045 TIMING: 2870600 CPU: 9065.66, 0.0031344/step Wall: 9065.66, 0.0031344/step, 1.85399 hours remaining, 235.156250 MB of memory in use. ENERGY: 2870600 3978.4072 20395.5830 14366.7562 230.4822 -203391.0622 2887.9910 0.0000 0.0000 51864.7582 -109667.0843 298.0675 -161531.8425 -109303.0745 298.1513 -26.5279 6.7916 763566.7606 2.5464 2.4064 PRESSURE: 2870800 -72.3352 86.1349 73.0132 86.1352 -171.224 83.5664 73.0127 83.5657 358.915 GPRESSURE: 2870800 -51.4469 142.743 140.882 90.8823 -124.006 136.14 117.505 -15.5469 381.523 PRESSAVG: 2870800 29.0445 -29.0863 58.7664 -29.0863 -3.26494 41.6638 58.7664 41.6637 18.7976 GPRESSAVG: 2870800 28.0914 -27.9064 60.3215 -27.1545 -2.97537 41.8502 58.9694 41.6873 19.564 TIMING: 2870800 CPU: 9066.29, 0.00315189/step Wall: 9066.29, 0.00315189/step, 1.86417 hours remaining, 235.156250 MB of memory in use. ENERGY: 2870800 3980.2108 20311.1051 14455.3763 245.6469 -202866.9881 2451.8612 0.0000 0.0000 51833.6491 -109589.1386 297.8887 -161422.7877 -109223.3568 298.3345 38.4520 68.6902 762326.7306 14.8590 14.8933 PRESSURE: 2871000 -274.078 -32.9402 -55.6275 -32.9401 -25.6641 -161.084 -55.6275 -161.084 295.127 GPRESSURE: 2871000 -204.61 -8.99529 -71.9291 -21.0363 69.4578 -67.0676 -79.3225 -260.254 223.783 PRESSAVG: 2871000 21.1064 26.1591 -23.1533 26.1591 11.9502 45.3427 -23.1533 45.3427 12.0445 GPRESSAVG: 2871000 21.5426 25.0761 -23.8386 25.367 13.0731 44.7856 -24.7446 44.4966 10.9549 TIMING: 2871000 CPU: 9066.93, 0.00315789/step Wall: 9066.93, 0.00315789/step, 1.86754 hours remaining, 235.156250 MB of memory in use. ENERGY: 2871000 3990.2574 20431.0598 14506.2624 250.7032 -203170.2090 2640.7897 0.0000 0.0000 51857.9438 -109493.1925 298.0283 -161351.1364 -109128.8903 298.6956 -1.5381 29.5437 762261.2868 15.0337 15.1902 PRESSURE: 2871200 143.361 35.6795 117.078 35.6793 -140.08 51.2154 117.077 51.2153 233.107 GPRESSURE: 2871200 125.309 45.689 155.649 58.7066 -38.394 14.9815 85.853 225.95 217.395 PRESSAVG: 2871200 4.44665 -13.9889 -20.4098 -13.9889 41.5846 -23.4318 -20.4097 -23.4317 23.3568 GPRESSAVG: 2871200 4.9878 -10.1989 -20.3344 -13.6542 40.8796 -21.2866 -18.9887 -23.2148 23.7896 TIMING: 2871200 CPU: 9067.56, 0.00315289/step Wall: 9067.56, 0.00315289/step, 1.86441 hours remaining, 235.156250 MB of memory in use. ENERGY: 2871200 3896.9185 20536.7895 14448.7656 240.2539 -203231.9292 2620.6524 0.0000 0.0000 51844.2326 -109644.3167 297.9495 -161488.5492 -109290.0286 298.5437 78.7963 101.4366 762895.6610 23.1293 23.2190 PRESSURE: 2871400 78.3951 -56.0353 -58.9701 -56.0357 24.5607 187.334 -58.9708 187.333 -106.041 GPRESSURE: 2871400 50.8332 -170.886 -59.862 -129.207 158.015 278.702 -134.386 34.4531 -123.381 PRESSAVG: 2871400 -25.9603 -30.4973 -15.0055 -30.4973 48.3024 -22.8061 -15.0055 -22.8062 -9.90738 GPRESSAVG: 2871400 -26.1336 -33.9367 -16.1199 -30.0959 48.7516 -23.8728 -16.8493 -21.9854 -9.26749 TIMING: 2871400 CPU: 9068.19, 0.00315882/step Wall: 9068.19, 0.00315882/step, 1.86774 hours remaining, 235.156250 MB of memory in use. ENERGY: 2871400 3985.9000 20279.0244 14375.8225 246.4454 -203317.3191 2976.6390 0.0000 0.0000 51868.4754 -109585.0123 298.0888 -161453.4877 -109229.9284 298.3589 -1.0283 28.4891 762749.6182 4.1449 4.4502 PRESSURE: 2871600 -210.838 -93.9041 -168.957 -93.9041 153.052 -138.407 -168.956 -138.406 -234.925 GPRESSURE: 2871600 -133.806 -44.5906 -121.219 -71.1391 136.245 -34.3465 -109.408 -78.537 -212.618 PRESSAVG: 2871600 -64.0528 12.322 -10.6225 12.322 67.578 -14.4549 -10.6225 -14.4549 25.532 GPRESSAVG: 2871600 -63.5538 10.9142 -10.0619 14.1577 67.1848 -15.0737 -11.0708 -14.2188 25.4069 TIMING: 2871600 CPU: 9068.82, 0.00315181/step Wall: 9068.82, 0.00315181/step, 1.86342 hours remaining, 235.156250 MB of memory in use. ENERGY: 2871600 3977.5955 20458.0271 14430.4832 264.8711 -203072.0574 2639.6610 0.0000 0.0000 51916.0235 -109385.3961 298.3621 -161301.4196 -109029.0284 298.9273 -97.5701 -70.0597 763600.4513 9.6858 9.6793 PRESSURE: 2871800 123.893 129.737 42.7113 129.738 21.8124 -330.897 42.7105 -330.897 153.563 GPRESSURE: 2871800 227.909 97.0709 -66.4746 123.707 11.0006 -322.462 26.6333 -180.955 152.506 PRESSAVG: 2871800 12.1476 -15.675 -6.70038 -15.675 5.90207 -47.5258 -6.70041 -47.5258 22.8343 GPRESSAVG: 2871800 11.6125 -12.6467 -7.07453 -18.5624 5.69176 -47.0065 -8.07918 -47.0104 24.2005 TIMING: 2871800 CPU: 9069.45, 0.00315396/step Wall: 9069.45, 0.00315396/step, 1.86451 hours remaining, 235.156250 MB of memory in use. ENERGY: 2871800 3932.5679 20476.1527 14497.2219 257.4951 -203393.0945 2820.7718 0.0000 0.0000 52244.0011 -109164.8842 300.2470 -161408.8852 -108798.5202 299.3056 99.7561 130.4721 762087.0758 13.6280 13.8349 PRESSURE: 2872000 -40.3202 -313.602 -49.6849 -313.601 -287.86 -68.3758 -49.6852 -68.3759 -324.365 GPRESSURE: 2872000 -22.198 -219.732 -37.8418 -267.351 -172.488 -31.4086 -24.0906 -97.7975 -383.231 PRESSAVG: 2872000 -4.43089 -18.2956 4.98615 -18.2957 -16.0466 -9.28075 4.98616 -9.28072 -1.46732 GPRESSAVG: 2872000 -4.09366 -20.8398 5.86696 -16.7145 -15.4946 -9.36286 7.87395 -9.7004 -2.13027 TIMING: 2872000 CPU: 9070.08, 0.00316535/step Wall: 9070.08, 0.00316535/step, 1.87108 hours remaining, 235.156250 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: 2872000 4084.4597 20566.2174 14416.1444 256.8379 -202886.8985 2492.0095 0.0000 0.0000 51950.5865 -109120.6432 298.5607 -161071.2296 -108767.3845 299.2661 -217.5150 -192.6391 764533.2973 -7.3149 -7.2395 PRESSURE: 2872200 77.0389 -67.9558 22.7774 -67.9551 -109.525 155.417 22.7771 155.417 -302.091 GPRESSURE: 2872200 94.6304 -42.1635 78.6106 -136.655 -7.84776 206.35 2.44582 109.61 -336.313 PRESSAVG: 2872200 4.67634 -53.6721 34.0857 -53.6721 23.1926 12.8817 34.0857 12.8817 -9.4599 GPRESSAVG: 2872200 3.72438 -52.3341 33.5246 -52.1791 24.4401 11.5575 32.6281 14.215 -10.2126 TIMING: 2872200 CPU: 9070.71, 0.00315058/step Wall: 9070.71, 0.00315058/step, 1.86217 hours remaining, 235.156250 MB of memory in use. ENERGY: 2872200 4006.9474 20541.6273 14438.8949 241.8649 -203214.3893 2589.7932 0.0000 0.0000 52066.4842 -109328.7774 299.2268 -161395.2616 -108967.8727 299.5054 -111.5254 -83.1768 763952.6163 6.1364 5.9839 LDB: ============= START OF LOAD BALANCING ============== 9083.24 LDB: ============== END OF LOAD BALANCING =============== 9083.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9083.25 LDB: ============= START OF LOAD BALANCING ============== 9083.56 LDB: Largest compute 7026 load 0.031428 is 16.1% of average load 0.195438 LDB: Average compute 0.004392 is 2.2% of average load 0.195438 LDB: TIME 9083.57 LOAD: AVG 0.195438 MAX 0.213287 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 9083.57 LOAD: AVG 0.195438 MAX 0.213287 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 9083.57 LOAD: AVG 0.195438 MAX 0.213287 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 9083.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9083.57 PRESSURE: 2872400 -104.761 -321.822 45.9206 -321.821 71.4282 -133.153 45.9205 -133.152 -6.57452 GPRESSURE: 2872400 -43.7792 -169.045 79.6634 -301.097 129.662 -91.1748 -71.1431 -203.274 -31.1301 PRESSAVG: 2872400 9.01997 -28.3937 -20.8268 -28.3937 -13.61 20.0397 -20.8269 20.0397 -4.81071 GPRESSAVG: 2872400 9.37623 -27.6064 -20.8268 -32.4163 -14.4209 19.5795 -20.6981 18.0706 -4.4846 TIMING: 2872400 CPU: 9071.36, 0.0032218/step Wall: 9071.36, 0.0032218/step, 1.90408 hours remaining, 235.777344 MB of memory in use. ENERGY: 2872400 3995.3871 20526.9803 14466.9836 262.1609 -203448.8962 3012.4374 0.0000 0.0000 51658.6128 -109526.3342 296.8828 -161184.9469 -109173.9538 298.8956 -13.3023 18.2508 764402.8437 -3.1336 -3.1764 PRESSURE: 2872600 316.91 137.37 167.044 137.37 122.533 -42.3411 167.044 -42.3403 332.56 GPRESSURE: 2872600 314.489 227.688 200.821 171.993 183.048 13.3911 117.908 47.3491 365.423 PRESSAVG: 2872600 -24.4253 37.4975 -0.522469 37.4975 37.4902 -15.6329 -0.522365 -15.6329 28.5618 GPRESSAVG: 2872600 -24.6314 37.2537 -0.734952 41.7429 37.7679 -14.4078 1.86098 -13.5537 28.3918 TIMING: 2872600 CPU: 9071.99, 0.00315789/step Wall: 9071.99, 0.00315789/step, 1.86614 hours remaining, 235.847656 MB of memory in use. ENERGY: 2872600 3889.6949 20241.6263 14474.1758 251.7708 -203460.0426 2821.4295 0.0000 0.0000 52351.3137 -109430.0316 300.8637 -161781.3452 -109056.0506 298.8566 257.3345 287.6535 761615.4936 13.8756 13.8427 PRESSURE: 2872800 176.231 -11.1847 -15.2439 -11.1848 -1.16684 86.1419 -15.244 86.1426 -492.986 GPRESSURE: 2872800 145.722 -71.3973 31.6637 -51.2603 83.5739 152.409 -33.6506 151.654 -476.69 PRESSAVG: 2872800 12.2376 4.14217 -45.6851 4.14217 -25.5281 -13.8599 -45.6851 -13.8599 -11.2405 GPRESSAVG: 2872800 12.825 3.47871 -45.462 1.30337 -25.7269 -14.2734 -47.478 -14.6793 -11.4694 TIMING: 2872800 CPU: 9072.62, 0.00315623/step Wall: 9072.62, 0.00315623/step, 1.86498 hours remaining, 235.847656 MB of memory in use. ENERGY: 2872800 3992.0040 20638.2467 14447.4277 235.9169 -203043.6069 2471.6059 0.0000 0.0000 52254.4297 -109003.9760 300.3069 -161258.4057 -108651.6298 299.6780 -105.9737 -82.4644 761308.5860 -8.1770 -8.1238 PRESSURE: 2873000 -196.089 -157.332 -75.7495 -157.331 124.532 -52.2272 -75.75 -52.2271 25.9882 GPRESSURE: 2873000 -239.647 -114.5 -57.7407 -129.25 237.045 -35.6746 -186.884 -40.1629 27.4894 PRESSAVG: 2873000 -52.9142 -0.0986744 -35.917 -0.0986904 61.6719 -9.17321 -35.917 -9.1733 4.62212 GPRESSAVG: 2873000 -53.1789 2.00275 -35.5844 -0.222887 61.983 -9.40016 -35.3453 -8.9006 3.84334 TIMING: 2873000 CPU: 9073.25, 0.00315368/step Wall: 9073.25, 0.00315368/step, 1.8633 hours remaining, 235.847656 MB of memory in use. ENERGY: 2873000 4009.7373 20584.0251 14464.2566 256.5652 -203125.7517 2469.5210 0.0000 0.0000 52308.6987 -109032.9480 300.6188 -161341.6466 -108673.2815 299.9327 -15.1898 8.2960 760918.6494 4.4599 4.2158 PRESSURE: 2873200 -145.75 -103.082 91.3206 -103.082 237.171 -9.64714 91.3211 -9.64712 28.7921 GPRESSURE: 2873200 -89.3994 -45.1399 77.6122 -84.8139 210.075 25.7486 17.0901 42.4487 89.1731 PRESSAVG: 2873200 0.350536 -17.1346 -62.4978 -17.1346 6.43102 -12.6069 -62.4979 -12.6069 21.7627 GPRESSAVG: 2873200 -0.741373 -19.8503 -62.8129 -15.5916 6.20908 -12.2318 -65.5667 -13.258 22.9671 TIMING: 2873200 CPU: 9073.88, 0.00316667/step Wall: 9073.88, 0.00316667/step, 1.8708 hours remaining, 235.847656 MB of memory in use. ENERGY: 2873200 3977.2584 20548.5775 14505.0650 259.0511 -203237.2840 2671.6995 0.0000 0.0000 52175.3588 -109100.2737 299.8525 -161275.6325 -108728.1048 299.6862 40.0711 69.9494 762207.9228 9.5148 9.4783 PRESSURE: 2873400 -43.4814 37.2227 86.2567 37.2222 -88.1479 -285.646 86.2569 -285.645 -52.2545 GPRESSURE: 2873400 -10.6837 -30.0482 89.1484 52.1966 -41.2962 -251.139 41.1727 -231.475 -52.4079 PRESSAVG: 2873400 55.1692 3.67551 -39.9684 3.67544 -70.7964 7.3958 -39.9683 7.39592 -18.3458 GPRESSAVG: 2873400 56.1275 4.21919 -40.8783 3.83356 -71.3345 6.95911 -37.5071 7.95311 -18.4189 TIMING: 2873400 CPU: 9074.51, 0.00314438/step Wall: 9074.51, 0.00314438/step, 1.85746 hours remaining, 235.847656 MB of memory in use. ENERGY: 2873400 3963.7259 20493.1957 14460.3270 239.0480 -203154.6881 2654.1702 0.0000 0.0000 51954.7711 -109389.4501 298.5848 -161344.2213 -109025.9791 299.0066 -61.2946 -34.7959 762366.5824 -11.3243 -11.2086 PRESSURE: 2873600 -58.7588 -51.9116 33.4523 -51.9111 -236.166 -35.096 33.4526 -35.0957 -125.414 GPRESSURE: 2873600 -61.9255 -56.7578 43.9037 -126.584 -188.882 -9.99333 62.3505 21.5186 -101.833 PRESSAVG: 2873600 43.427 -12.7003 4.01487 -12.7002 -92.7894 12.5562 4.01478 12.5562 12.6975 GPRESSAVG: 2873600 43.6243 -11.7647 5.32537 -13.5942 -92.3521 12.4792 3.3051 10.9396 11.8612 TIMING: 2873600 CPU: 9075.14, 0.0031552/step Wall: 9075.14, 0.0031552/step, 1.86367 hours remaining, 235.847656 MB of memory in use. ENERGY: 2873600 3981.8497 20652.1142 14468.1046 241.7150 -203435.7006 2727.3819 0.0000 0.0000 52051.2011 -109313.3340 299.1390 -161364.5351 -108954.7077 299.2760 -140.1130 -117.5468 762650.0994 -12.2216 -12.2889 PRESSURE: 2873800 339.31 -27.5751 -107.256 -27.5745 311.126 117.632 -107.256 117.633 154.475 GPRESSURE: 2873800 332.517 -45.1291 -41.526 39.658 240.509 65.9689 -44.7899 180.093 288.813 PRESSAVG: 2873800 21.2783 -43.5327 -29.1796 -43.5327 -16.7577 7.92939 -29.1797 7.92941 0.54011 GPRESSAVG: 2873800 21.146 -44.8532 -28.6336 -44.7734 -17.8445 7.72828 -29.6472 11.7225 1.65875 TIMING: 2873800 CPU: 9075.77, 0.00314937/step Wall: 9075.77, 0.00314937/step, 1.86005 hours remaining, 235.847656 MB of memory in use. ENERGY: 2873800 3949.4455 20634.8227 14443.1891 255.5678 -203326.3487 2652.4294 0.0000 0.0000 52182.9780 -109207.9162 299.8963 -161390.8942 -108865.6235 299.2902 268.3037 287.2797 760936.0923 1.6869 1.6534 PRESSURE: 2874000 -166.514 -6.71701 71.3162 -6.71785 61.9206 -92.8293 71.3156 -92.8285 -286.22 GPRESSURE: 2874000 -22.0683 -35.5116 103.183 47.3424 42.0766 10.5535 75.211 -154.022 -306.359 PRESSAVG: 2874000 48.0689 18.4517 20.4838 18.4517 -3.90091 19.2161 20.4839 19.2161 16.2625 GPRESSAVG: 2874000 49.6686 16.5271 19.6084 19.7183 -3.09761 21.753 22.1291 16.7635 14.3369 TIMING: 2874000 CPU: 9076.41, 0.00315902/step Wall: 9076.41, 0.00315902/step, 1.86558 hours remaining, 235.847656 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: 2874000 3960.8461 20401.0804 14514.5257 233.2196 -203261.2479 2585.0327 0.0000 0.0000 52195.2118 -109371.3318 299.9666 -161566.5436 -109000.5049 299.2312 -130.2711 -95.4502 762066.8280 20.1435 20.3026 PRESSURE: 2874200 -357.427 -61.2049 -160.702 -61.2042 -60.0327 45.1292 -160.703 45.1283 -185.344 GPRESSURE: 2874200 -304.715 35.5846 -174.762 -127.814 -77.0739 80.4575 -148.133 17.9745 -148.425 PRESSAVG: 2874200 83.4201 39.2483 3.35009 39.2483 -45.2538 19.7506 3.35013 19.7506 20.9771 GPRESSAVG: 2874200 81.5146 42.2324 4.01507 39.7228 -44.0501 19.3817 2.8969 20.7938 21.8608 TIMING: 2874200 CPU: 9077.04, 0.00316576/step Wall: 9077.04, 0.00316576/step, 1.86938 hours remaining, 235.847656 MB of memory in use. ENERGY: 2874200 4007.7663 20528.5236 14450.0137 246.9741 -202896.8291 2237.4780 0.0000 0.0000 51849.0135 -109577.0599 297.9770 -161426.0734 -109214.1132 299.2961 -200.9345 -176.7382 760751.5655 19.7145 19.7751 PRESSURE: 2874400 -606.303 8.89639 108.979 8.89608 -358.255 -160.358 108.979 -160.358 -327.209 GPRESSURE: 2874400 -505.108 -13.9494 280.448 35.938 -286.292 -265.192 98.3696 -245.835 -392.192 PRESSAVG: 2874400 -12.2489 -32.1812 30.7221 -32.1813 4.08188 2.18075 30.7221 2.1807 -18.9257 GPRESSAVG: 2874400 -11.4542 -34.9416 30.7231 -30.9607 3.60948 -0.783445 30.9001 3.62662 -19.9588 TIMING: 2874400 CPU: 9077.67, 0.00315169/step Wall: 9077.67, 0.00315169/step, 1.8609 hours remaining, 235.847656 MB of memory in use. ENERGY: 2874400 4081.7799 20414.3353 14554.2685 236.7128 -203022.8797 2255.6871 0.0000 0.0000 52094.9195 -109385.1766 299.3902 -161480.0961 -109021.5953 298.7438 -430.5894 -394.5307 761826.0647 -9.0309 -9.2679 PRESSURE: 2874600 -31.6018 204.424 -72.4987 204.424 -226.013 2.15858 -72.4982 2.15965 -203.804 GPRESSURE: 2874600 -44.7035 96.2954 -139.095 108.022 -94.8181 13.4339 -222.357 34.9606 -242.1 PRESSAVG: 2874600 19.5489 -18.8428 -16.6 -18.8428 3.74357 -6.79725 -16.5999 -6.79726 15.8627 GPRESSAVG: 2874600 18.2871 -17.195 -18.0916 -19.8552 3.23161 -5.43234 -19.2499 -9.50894 17.0051 TIMING: 2874600 CPU: 9078.3, 0.00314576/step Wall: 9078.3, 0.00314576/step, 1.85722 hours remaining, 235.847656 MB of memory in use. ENERGY: 2874600 4068.5122 20529.6689 14475.3173 257.0918 -203039.8464 2397.6350 0.0000 0.0000 52104.2996 -109207.3216 299.4441 -161311.6212 -108835.6660 299.3464 -153.8064 -127.2074 761673.0153 13.0517 12.8413 PRESSURE: 2874800 -28.9088 13.0547 -184.655 13.0544 -217.478 -84.461 -184.655 -84.4609 -345.247 GPRESSURE: 2874800 -18.3078 30.1032 -182.727 -2.77276 -186.65 -15.5137 11.0973 -81.1703 -299.863 PRESSAVG: 2874800 10.4393 28.9844 -13.8909 28.9844 6.92959 19.8217 -13.8909 19.8217 15.5656 GPRESSAVG: 2874800 12.4405 28.3131 -14.8041 28.2264 5.55998 20.014 -12.2943 21.6473 14.9866 TIMING: 2874800 CPU: 9078.93, 0.00314592/step Wall: 9078.93, 0.00314592/step, 1.85714 hours remaining, 235.847656 MB of memory in use. ENERGY: 2874800 3993.2559 20616.3413 14407.6142 237.1387 -203112.2718 2529.6754 0.0000 0.0000 52126.0324 -109202.2139 299.5690 -161328.2462 -108839.6688 299.6891 -197.2113 -168.2737 762809.5189 10.9782 10.9957 PRESSURE: 2875000 -85.4536 -72.8382 -7.0918 -72.8378 128.028 84.7056 -7.09171 84.7068 213.84 GPRESSURE: 2875000 -92.2826 -154.41 13.6202 -45.2286 172.107 74.8856 43.6535 97.2383 235.981 PRESSAVG: 2875000 4.67626 -11.7275 24.0062 -11.7275 -40.3014 13.3608 24.0062 13.3608 13.9827 GPRESSAVG: 2875000 3.98643 -11.0154 25.051 -11.2478 -38.3357 13.8271 24.8413 12.201 12.6393 TIMING: 2875000 CPU: 9079.56, 0.00316629/step Wall: 9079.56, 0.00316628/step, 1.86899 hours remaining, 235.847656 MB of memory in use. ENERGY: 2875000 4005.1504 20772.2169 14442.2311 240.2275 -203423.1957 2726.9447 0.0000 0.0000 52145.9339 -109090.4912 299.6834 -161236.4251 -108729.5137 299.6543 85.4717 105.2685 762066.8725 -7.2141 -7.2367 PRESSURE: 2875200 -175.321 135.946 60.5156 135.946 -62.0248 139.007 60.5159 139.007 -179.025 GPRESSURE: 2875200 -119.046 172.932 4.33488 96.8809 -21.6336 185.088 208.219 68.8712 -202.336 PRESSAVG: 2875200 -3.45875 56.9446 14.9689 56.9446 -12.7876 -30.5896 14.9689 -30.5896 -10.669 GPRESSAVG: 2875200 -3.97555 56.8532 16.4792 54.677 -13.5404 -32.5511 15.9139 -29.646 -9.00524 TIMING: 2875200 CPU: 9080.19, 0.00315643/step Wall: 9080.19, 0.00315643/step, 1.86299 hours remaining, 235.847656 MB of memory in use. ENERGY: 2875200 4098.5670 20586.0436 14495.5027 255.2718 -203182.7660 2803.1471 0.0000 0.0000 51912.7824 -109031.4513 298.3435 -160944.2338 -108665.1741 299.0323 -138.7902 -114.3386 762858.1226 -8.9718 -8.8404 PRESSURE: 2875400 -381.427 201.929 25.8534 201.929 16.4923 -46.223 25.8538 -46.2226 163.654 GPRESSURE: 2875400 -307.542 84.2225 25.3542 146.986 27.3098 -55.0669 63.8178 -182.146 168.602 PRESSAVG: 2875400 -54.8415 27.6187 -0.287251 27.6187 51.4059 0.817627 -0.287193 0.817638 -9.93225 GPRESSAVG: 2875400 -55.117 26.8395 0.288727 28.3464 51.5452 2.75888 -2.32358 0.444507 -10.1998 TIMING: 2875400 CPU: 9080.82, 0.00314919/step Wall: 9080.82, 0.00314919/step, 1.85855 hours remaining, 235.847656 MB of memory in use. ENERGY: 2875400 4028.0289 20581.6628 14339.8448 247.9732 -202825.2529 2646.9744 0.0000 0.0000 51808.1904 -109172.5784 297.7424 -160980.7688 -108809.3401 298.9715 -67.0936 -37.2100 763911.1046 -4.4560 -4.5906 PRESSURE: 2875600 -174.016 -135.841 -140.68 -135.84 -274.948 -191.627 -140.679 -191.627 -70.8143 GPRESSURE: 2875600 -117.467 -162.516 -233.436 -195.262 -273.88 -83.3135 -182.733 -160.687 -44.9187 PRESSAVG: 2875600 7.98297 -55.0622 4.05187 -55.0622 23.609 -63.7171 4.05193 -63.7171 12.636 GPRESSAVG: 2875600 9.3264 -55.5254 1.71582 -55.522 23.1211 -65.0477 3.62775 -64.4182 11.8911 TIMING: 2875600 CPU: 9081.45, 0.00313937/step Wall: 9081.45, 0.00313937/step, 1.85258 hours remaining, 235.847656 MB of memory in use. ENERGY: 2875600 3984.8590 20472.3997 14415.7167 258.6224 -203037.5289 2498.3207 0.0000 0.0000 51981.6265 -109425.9839 298.7391 -161407.6103 -109066.6226 298.6442 -173.2596 -145.4218 763211.8842 14.7427 14.7795 PRESSURE: 2875800 -316.399 -35.3237 305.847 -35.324 -22.528 9.46083 305.848 9.46192 78.9228 GPRESSURE: 2875800 -209.261 -29.4631 336.304 -62.109 -17.1291 16.7697 312.422 47.3059 54.6485 PRESSAVG: 2875800 36.0361 15.5573 -14.4283 15.5573 -51.0555 -46.2214 -14.4283 -46.2215 13.1428 GPRESSAVG: 2875800 36.3026 17.7054 -12.7639 16.9645 -52.563 -45.1523 -13.7038 -46.5121 14.1744 TIMING: 2875800 CPU: 9082.08, 0.00314781/step Wall: 9082.08, 0.00314781/step, 1.85738 hours remaining, 235.847656 MB of memory in use. ENERGY: 2875800 4005.6255 20560.0301 14449.8365 261.5060 -203443.5264 2651.0612 0.0000 0.0000 52046.4248 -109469.0423 299.1115 -161515.4672 -109112.2659 298.9082 -86.6682 -57.2471 761849.7801 -0.6255 -0.6954 PRESSURE: 2876000 -256.754 160.932 -53.4338 160.933 -277.825 -108.729 -53.4343 -108.728 -204.965 GPRESSURE: 2876000 -248.291 208.58 -69.5627 225.266 -236.051 -104.445 -69.6907 -84.9726 -180.022 PRESSAVG: 2876000 44.0463 18.9168 20.0926 18.9168 -24.0312 -29.6133 20.0925 -29.6132 -13.2356 GPRESSAVG: 2876000 45.0181 17.0852 18.7589 18.1073 -24.2717 -30.121 19.4282 -29.8247 -14.1214 TIMING: 2876000 CPU: 9082.71, 0.00316187/step Wall: 9082.71, 0.00316187/step, 1.8655 hours remaining, 235.847656 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: 2876000 3935.2575 20432.1351 14485.4525 242.2492 -203112.9851 2426.4408 0.0000 0.0000 51931.7159 -109659.7342 298.4523 -161591.4501 -109295.6701 298.5878 -246.5147 -221.4547 762261.5167 2.2598 2.2084 PRESSURE: 2876200 -245.499 -39.9535 85.9633 -39.9538 -117.939 210.653 85.964 210.653 -169.718 GPRESSURE: 2876200 -240.402 -120.222 132.247 -50.6831 -85.2072 195.059 102.275 309.92 -121.275 PRESSAVG: 2876200 16.7949 -19.955 -41.9971 -19.9551 -6.02647 30.4385 -41.997 30.4385 -20.5882 GPRESSAVG: 2876200 14.8331 -18.6482 -39.3855 -19.9061 -4.89519 30.2434 -42.5124 31.5845 -19.7939 TIMING: 2876200 CPU: 9083.34, 0.00314416/step Wall: 9083.34, 0.00314416/step, 1.85488 hours remaining, 235.847656 MB of memory in use. ENERGY: 2876200 3993.9627 20387.9081 14388.5111 236.3709 -202979.2909 2390.8615 0.0000 0.0000 52057.9038 -109523.7727 299.1775 -161581.6765 -109159.9826 298.5974 -177.7185 -148.9614 760594.1014 -3.2733 -3.2853 LDB: ============= START OF LOAD BALANCING ============== 9095.87 LDB: ============== END OF LOAD BALANCING =============== 9095.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9095.87 LDB: ============= START OF LOAD BALANCING ============== 9096.19 LDB: Largest compute 7026 load 0.032931 is 16.8% of average load 0.195471 LDB: Average compute 0.004411 is 2.3% of average load 0.195471 LDB: TIME 9096.19 LOAD: AVG 0.195471 MAX 0.216896 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 9096.19 LOAD: AVG 0.195471 MAX 0.216896 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: TIME 9096.19 LOAD: AVG 0.195471 MAX 0.216896 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: ============== END OF LOAD BALANCING =============== 9096.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9096.2 PRESSURE: 2876400 -38.0066 -37.5504 158.289 -37.5501 -281.66 -78.9994 158.289 -78.9995 -77.7668 GPRESSURE: 2876400 45.3681 -24.658 122.922 -49.4387 -249.968 -53.0841 88.2318 -10.913 -96.1241 PRESSAVG: 2876400 35.013 -9.17366 -6.37088 -9.17369 -11.487 57.388 -6.37088 57.388 -11.9494 GPRESSAVG: 2876400 34.2204 -12.6408 -7.15838 -8.59748 -11.2324 58.7088 -5.06564 56.0472 -11.3482 TIMING: 2876400 CPU: 9083.98, 0.00321751/step Wall: 9083.98, 0.00321751/step, 1.89797 hours remaining, 234.734375 MB of memory in use. ENERGY: 2876400 4051.8276 20435.9083 14445.2099 249.2543 -203247.3529 2697.0169 0.0000 0.0000 52029.4410 -109338.6949 299.0139 -161368.1359 -108975.5970 298.8445 -132.4778 -100.2413 761654.1048 3.8589 3.8799 PRESSURE: 2876600 173.133 -102.115 -39.5716 -102.115 -135.751 184.527 -39.5712 184.527 87.1715 GPRESSURE: 2876600 207.085 56.4903 3.03424 -15.0859 -166.459 106.257 102.599 150.723 161.767 PRESSAVG: 2876600 -9.71119 -0.598183 17.8549 -0.598278 -32.3569 11.0237 17.855 11.0236 -30.1911 GPRESSAVG: 2876600 -7.53047 2.45312 17.2772 0.351043 -33.7197 10.1212 16.8809 10.9812 -30.7044 TIMING: 2876600 CPU: 9084.61, 0.00315436/step Wall: 9084.61, 0.00315436/step, 1.86055 hours remaining, 234.734375 MB of memory in use. ENERGY: 2876600 3982.9727 20568.1626 14507.8211 244.2894 -203526.0593 2826.4960 0.0000 0.0000 51977.5179 -109418.7996 298.7155 -161396.3175 -109065.9159 298.6461 41.5179 67.4645 761622.3107 -24.0864 -23.9849 PRESSURE: 2876800 -0.955448 -140.141 -28.4002 -140.141 167.195 62.4577 -28.3998 62.4568 -450.973 GPRESSURE: 2876800 1.32732 -9.72752 -120.405 -123.961 169.177 48.6554 69.3226 26.817 -351.547 PRESSAVG: 2876800 22.6967 -1.93532 73.7378 -1.93535 -9.34461 -6.92191 73.7377 -6.92194 28.4535 GPRESSAVG: 2876800 22.8265 -3.01499 74.2044 -2.13964 -7.83026 -6.85069 74.2478 -7.84046 26.5628 TIMING: 2876800 CPU: 9085.25, 0.00316646/step Wall: 9085.25, 0.00316646/step, 1.86751 hours remaining, 234.734375 MB of memory in use. ENERGY: 2876800 3975.2144 20390.3009 14492.6886 236.1483 -203072.1351 2574.6986 0.0000 0.0000 51860.2394 -109542.8449 298.0415 -161403.0842 -109172.0396 298.4228 -94.9110 -60.3475 762483.0976 13.9352 13.8530 PRESSURE: 2877000 -363.149 -158.21 -140.997 -158.21 -88.9199 -7.04792 -140.997 -7.04757 -103.192 GPRESSURE: 2877000 -331.658 -180.912 -142.966 -156.338 -73.5901 85.065 -136.268 113.294 -75.7437 PRESSAVG: 2877000 -17.5376 -4.87896 32.8709 -4.87903 -16.8616 54.8746 32.8709 54.8747 29.6077 GPRESSAVG: 2877000 -17.2595 -5.4152 32.0679 -5.64769 -17.5515 55.0628 32.338 56.8064 29.9862 TIMING: 2877000 CPU: 9085.88, 0.00316083/step Wall: 9085.88, 0.00316083/step, 1.86401 hours remaining, 234.734375 MB of memory in use. ENERGY: 2877000 4056.6959 20561.4150 14457.9011 239.6429 -203111.2774 2428.1703 0.0000 0.0000 51968.7029 -109398.7492 298.6648 -161367.4521 -109038.3898 298.4735 -185.0868 -160.3307 764557.7621 -1.5972 -1.6083 PRESSURE: 2877200 85.549 9.87008 -57.9258 9.86959 -174.7 169.995 -57.9266 169.995 554.577 GPRESSURE: 2877200 107.793 49.1064 10.3714 -53.4581 -100.197 168.78 -158.213 18.0556 547.155 PRESSAVG: 2877200 -20.5519 19.837 -38.3668 19.837 -10.5424 -32.7647 -38.3668 -32.7647 -26.9947 GPRESSAVG: 2877200 -21.333 22.1103 -39.0694 19.6345 -10.1488 -31.1286 -36.9332 -34.1763 -26.3347 TIMING: 2877200 CPU: 9086.51, 0.00314426/step Wall: 9086.51, 0.00314426/step, 1.85406 hours remaining, 234.804688 MB of memory in use. ENERGY: 2877200 4001.9775 20627.4879 14461.4118 230.4697 -203446.1767 2622.5256 0.0000 0.0000 52133.3657 -109368.9384 299.6112 -161502.3041 -109013.7586 298.7332 155.1421 184.9169 760940.8050 -19.3630 -19.2722 PRESSURE: 2877400 -620.245 -67.3554 -223.527 -67.3555 -196.922 -6.3762 -223.526 -6.37515 30.9547 GPRESSURE: 2877400 -583.375 -70.8342 -218.496 29.1916 -139.204 -39.8473 -142.371 55.4061 28.8035 PRESSAVG: 2877400 3.30461 4.83625 -16.0741 4.83629 0.515618 2.43018 -16.0741 2.43013 -5.56771 GPRESSAVG: 2877400 2.61507 3.56654 -15.2438 5.61572 1.37201 0.448291 -16.1654 1.83678 -5.92474 TIMING: 2877400 CPU: 9087.14, 0.00317401/step Wall: 9087.14, 0.00317401/step, 1.87143 hours remaining, 235.007812 MB of memory in use. ENERGY: 2877400 3970.3153 20415.7893 14403.2256 233.2097 -203442.6711 2852.0293 0.0000 0.0000 52370.8423 -109197.2596 300.9760 -161568.1019 -108827.2623 299.5137 -262.0708 -231.2584 763059.6186 -0.5825 -0.6459 PRESSURE: 2877600 167.435 222.113 -57.2792 222.112 -669.954 -310.808 -57.2793 -310.808 -466.148 GPRESSURE: 2877600 67.7441 215.736 -14.7472 162.161 -554.698 -281.781 -49.9049 -186.719 -401.877 PRESSAVG: 2877600 -9.46455 -1.45855 -13.6139 -1.45852 -10.97 -1.94736 -13.6139 -1.94738 -12.3902 GPRESSAVG: 2877600 -9.46334 -0.592361 -14.5192 -1.20395 -11.0786 -2.09714 -15.7054 0.947553 -11.9306 TIMING: 2877600 CPU: 9087.78, 0.00317924/step Wall: 9087.78, 0.00317924/step, 1.87434 hours remaining, 235.007812 MB of memory in use. ENERGY: 2877600 3996.8600 20584.6511 14387.0047 238.1224 -203154.5318 2606.6850 0.0000 0.0000 52212.3596 -109128.8489 300.0651 -161341.2085 -108767.6534 299.6293 -322.8889 -296.2768 763289.0342 -10.9416 -10.8242 PRESSURE: 2877800 -60.6258 135.123 353.715 135.123 92.5981 -138.094 353.714 -138.094 372.409 GPRESSURE: 2877800 136.613 93.9783 330.201 161.65 39.9475 -189.368 229.991 -165.974 313.542 PRESSAVG: 2877800 20.6711 33.4996 11.968 33.4996 -87.8212 17.6908 11.9679 17.6908 -0.167027 GPRESSAVG: 2877800 21.7013 32.8994 12.8401 32.7251 -87.8187 20.4457 13.2229 15.4215 -1.32362 TIMING: 2877800 CPU: 9088.41, 0.00315084/step Wall: 9088.41, 0.00315085/step, 1.85742 hours remaining, 235.210938 MB of memory in use. ENERGY: 2877800 3862.4171 20629.5584 14441.3070 267.4769 -203072.6200 2613.5461 0.0000 0.0000 52082.3978 -109175.9166 299.3183 -161258.3144 -108814.8849 299.9600 134.7936 163.3677 763493.3278 -22.4391 -22.4804 PRESSURE: 2878000 -22.4462 13.4605 -142.961 13.4613 17.316 -48.1155 -142.962 -48.1148 -642.509 GPRESSURE: 2878000 -67.1928 68.2402 -151.847 -143.566 15.8624 -71.0136 -41.933 20.7461 -512.221 PRESSAVG: 2878000 6.26857 -6.48243 0.634653 -6.48247 -20.5055 10.7802 0.634697 10.7802 -31.9833 GPRESSAVG: 2878000 5.01933 -4.92115 0.31955 -9.47192 -20.9439 11.5355 1.19504 11.7318 -30.6025 TIMING: 2878000 CPU: 9089.04, 0.00315895/step Wall: 9089.04, 0.00315895/step, 1.86203 hours remaining, 235.210938 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: 2878000 3931.2837 20495.9175 14448.6495 249.8534 -203243.5995 2563.2617 0.0000 0.0000 52280.2745 -109274.3592 300.4555 -161554.6337 -108900.7363 299.5511 -215.8799 -187.8505 763305.1103 -15.4067 -15.5090 PRESSURE: 2878200 473.191 -82.7268 -64.7659 -82.7273 314.103 -68.4036 -64.7671 -68.4039 342.951 GPRESSURE: 2878200 512.782 -75.7762 -119.626 -101.386 375.526 3.82243 -25.3646 34.82 328.056 PRESSAVG: 2878200 18.5371 -8.63799 -9.71604 -8.63803 38.3436 -6.12228 -9.71604 -6.12224 12.5187 GPRESSAVG: 2878200 19.7 -10.5229 -8.75275 -6.15979 39.0812 -6.79369 -10.0511 -7.12677 11.4155 TIMING: 2878200 CPU: 9089.67, 0.00315778/step Wall: 9089.67, 0.00315778/step, 1.86116 hours remaining, 235.210938 MB of memory in use. ENERGY: 2878200 3996.3684 20497.6607 14521.3232 233.1459 -203174.1578 2582.7765 0.0000 0.0000 52174.9098 -109167.9733 299.8499 -161342.8830 -108805.6751 299.8881 376.7484 405.4545 762007.1793 23.1332 23.3989 PRESSURE: 2878400 -19.1876 -161.791 60.6713 -161.791 175.385 11.5825 60.6717 11.5825 89.0239 GPRESSURE: 2878400 -12.8045 -217.293 123.254 -117.82 249.056 -3.05348 1.93842 -28.9187 87.2661 PRESSAVG: 2878400 -29.082 8.80749 25.6014 8.8075 6.27437 26.9443 25.6014 26.9443 -3.26354 GPRESSAVG: 2878400 -30.2146 6.66718 25.7787 8.70962 6.98241 25.3453 25.1535 27.71 -3.22144 TIMING: 2878400 CPU: 9090.31, 0.00316334/step Wall: 9090.31, 0.00316334/step, 1.86426 hours remaining, 235.210938 MB of memory in use. ENERGY: 2878400 4057.7946 20509.7576 14427.1099 250.4716 -203013.5455 2747.4511 0.0000 0.0000 51901.2581 -109119.7026 298.2772 -161020.9607 -108754.1671 299.7180 81.7403 107.8392 762213.8140 -8.6904 -8.8179 PRESSURE: 2878600 80.1953 54.0865 71.9207 54.0874 179.567 -88.2574 71.9206 -88.2578 17.6916 GPRESSURE: 2878600 123.044 238.122 49.4109 128.364 192.505 -155.815 54.9356 -157.827 34.2208 PRESSAVG: 2878600 -97.0268 4.08088 15.1776 4.0809 53.3714 32.1958 15.1777 32.1959 18.8319 GPRESSAVG: 2878600 -97.8075 7.75779 14.027 5.91921 52.9174 32.2002 16.2378 33.0328 19.8421 TIMING: 2878600 CPU: 9090.93, 0.00313994/step Wall: 9090.93, 0.00313994/step, 1.8503 hours remaining, 235.210938 MB of memory in use. ENERGY: 2878600 3968.3242 20598.4459 14459.0216 246.1518 -203155.3399 2521.2115 0.0000 0.0000 52191.4411 -109170.7438 299.9449 -161362.1849 -108803.1113 299.5956 92.4846 116.5899 761639.4434 -8.2745 -8.3493 PRESSURE: 2878800 -177.901 -133.654 -78.2429 -133.654 168.225 -41.3037 -78.2423 -41.304 -38.2658 GPRESSURE: 2878800 -147.767 -99.906 -144.934 -197.718 190.721 21.1738 113.232 11.2245 -4.23195 PRESSAVG: 2878800 0.353445 3.14494 -5.27203 3.14499 22.9667 -8.43162 -5.27204 -8.43171 -9.40602 GPRESSAVG: 2878800 3.05781 0.396072 -6.05344 2.92301 22.473 -8.08294 -5.99188 -7.75634 -11.3832 TIMING: 2878800 CPU: 9091.57, 0.00316805/step Wall: 9091.57, 0.00316805/step, 1.86669 hours remaining, 235.210938 MB of memory in use. ENERGY: 2878800 3941.1960 20368.3374 14508.3071 256.2085 -203468.2893 2656.4203 0.0000 0.0000 52508.6678 -109229.1523 301.7680 -161737.8201 -108863.7959 299.8574 -15.9807 12.9075 760582.2918 4.6380 4.7159 PRESSURE: 2879000 -27.0126 95.6982 -153.005 95.6984 -35.407 228.587 -153.005 228.587 -96.7303 GPRESSURE: 2879000 -43.9917 20.4931 -106.309 84.1703 -6.07901 269.108 -126.547 190.117 -22.9788 PRESSAVG: 2879000 -50.1904 -6.30098 35.2996 -6.30092 29.889 41.7768 35.2997 41.7768 8.99474 GPRESSAVG: 2879000 -51.7801 -5.89914 35.6043 -8.25331 28.9494 41.4994 35.8812 41.1874 11.0106 TIMING: 2879000 CPU: 9092.2, 0.00316933/step Wall: 9092.2, 0.00316933/step, 1.86726 hours remaining, 235.210938 MB of memory in use. ENERGY: 2879000 3950.2796 20690.4824 14487.8799 246.2874 -203057.3075 2592.2561 0.0000 0.0000 51886.6650 -109203.4572 298.1934 -161090.1222 -108854.4997 299.3788 -53.0500 -24.3499 761059.3136 -3.7689 -3.9401 PRESSURE: 2879200 148.13 54.9331 -103.234 54.9333 123.321 21.5383 -103.234 21.5385 -223.177 GPRESSURE: 2879200 112.927 9.77719 -132.383 3.844 279.094 -19.5351 -65.8637 -39.2485 -248.454 PRESSAVG: 2879200 -9.59736 -54.6734 -6.30661 -54.6734 20.3491 -1.97275 -6.30662 -1.97264 -6.45779 GPRESSAVG: 2879200 -10.3142 -53.2326 -4.77406 -55.7143 22.5063 -1.49403 -5.73717 -0.625105 -8.25547 TIMING: 2879200 CPU: 9092.83, 0.00316345/step Wall: 9092.83, 0.00316345/step, 1.86362 hours remaining, 235.210938 MB of memory in use. ENERGY: 2879200 4017.5578 20542.9442 14478.6946 250.0857 -203139.9914 2485.1251 0.0000 0.0000 52128.3851 -109237.1989 299.5825 -161365.5840 -108875.3762 299.6766 16.0912 47.8558 761205.6897 1.4313 1.3122 PRESSURE: 2879400 -270.097 -55.8361 -118.501 -55.8359 -37.9838 23.5378 -118.501 23.5386 180.467 GPRESSURE: 2879400 -222.91 10.79 -128.115 17.0165 42.1784 119.743 -67.4584 3.02908 145.753 PRESSAVG: 2879400 -8.07027 25.3448 39.7167 25.3448 -20.92 -4.56798 39.7166 -4.568 31.4459 GPRESSAVG: 2879400 -9.39051 25.5672 40.3441 25.4371 -20.6528 -5.00837 38.5387 -6.13026 31.8629 TIMING: 2879400 CPU: 9093.47, 0.00316139/step Wall: 9093.47, 0.00316139/step, 1.86224 hours remaining, 235.210938 MB of memory in use. ENERGY: 2879400 3955.2933 20518.3020 14422.9073 249.3127 -203318.3302 2595.1281 0.0000 0.0000 52053.5469 -109523.8400 299.1524 -161577.3868 -109159.1751 299.4053 -42.5380 -11.6596 762041.3019 0.8185 0.6065 PRESSURE: 2879600 225.458 -83.6874 30.5225 -83.6877 488.506 -240.85 30.5222 -240.851 141.374 GPRESSURE: 2879600 385.255 -96.4411 85.1781 22.1609 403.714 -218.723 -25.492 -146.315 148.008 PRESSAVG: 2879600 -19.1311 -10.4473 117.57 -10.4473 -22.206 39.7471 117.57 39.7471 9.12197 GPRESSAVG: 2879600 -17.1183 -11.4043 117.675 -8.2911 -24.8584 40.3835 117.971 41.1679 9.68847 TIMING: 2879600 CPU: 9094.1, 0.00317826/step Wall: 9094.1, 0.00317826/step, 1.872 hours remaining, 235.210938 MB of memory in use. ENERGY: 2879600 4020.5742 20428.4139 14464.1195 260.0622 -203931.2429 3170.3138 0.0000 0.0000 51992.6813 -109595.0780 298.8027 -161587.7593 -109234.8365 299.0368 285.1126 312.3259 761347.5435 -10.7383 -10.7627 PRESSURE: 2879800 -179.155 -46.2536 143.955 -46.2537 -665.771 -126.658 143.957 -126.657 -202.137 GPRESSURE: 2879800 -244.782 -27.623 215.381 -136.373 -526.848 -141.711 9.19615 -41.0796 -194.234 PRESSAVG: 2879800 41.1327 3.32766 57.883 3.32766 -36.9428 20.2345 57.883 20.2345 -8.72286 GPRESSAVG: 2879800 40.9135 2.91015 55.668 3.08807 -35.4928 20.1248 59.111 19.7109 -9.2979 TIMING: 2879800 CPU: 9094.73, 0.00316249/step Wall: 9094.73, 0.00316249/step, 1.86253 hours remaining, 235.210938 MB of memory in use. ENERGY: 2879800 3963.7368 20662.0903 14484.0900 257.8337 -202956.3223 2320.4601 0.0000 0.0000 52033.9226 -109234.1887 299.0397 -161268.1114 -108867.8122 299.1074 -349.0211 -321.9547 763268.0301 -1.5110 -1.2924 PRESSURE: 2880000 -84.2396 -36.8259 -85.2574 -36.8261 -262.62 -88.6566 -85.2569 -88.6563 45.4086 GPRESSURE: 2880000 -40.0538 -148.025 -146.633 -2.11855 -275.224 -26.0717 -81.2489 -85.3708 92.8942 PRESSAVG: 2880000 39.3498 40.4389 40.665 40.4388 -39.4761 9.3428 40.6651 9.34281 18.7627 GPRESSAVG: 2880000 39.3564 40.4229 40.7279 37.5407 -39.4925 8.17638 41.0811 11.3469 19.2735 TIMING: 2880000 CPU: 9095.36, 0.00314345/step Wall: 9095.36, 0.00314345/step, 1.85114 hours remaining, 235.210938 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: 2880000 3937.6394 20549.8434 14509.4572 262.7850 -203294.9229 2546.8807 0.0000 0.0000 52330.0296 -109158.2877 300.7414 -161488.3173 -108785.5598 299.8047 -100.4837 -74.1277 762256.5387 6.2121 6.3791 PRESSURE: 2880200 -465.553 150.443 4.72499 150.443 -211.845 53.5503 4.72562 53.5496 -56.9996 GPRESSURE: 2880200 -446.194 155.137 12.4858 50.5922 -151.488 -29.2438 8.06754 4.37344 -41.2272 PRESSAVG: 2880200 -10.0529 -54.5435 0.582394 -54.5434 -10.9588 12.8999 0.582412 12.8999 7.21793 GPRESSAVG: 2880200 -9.2799 -55.9896 1.77122 -53.0233 -12.7512 13.0064 -0.372854 11.8057 7.9991 TIMING: 2880200 CPU: 9095.99, 0.00314644/step Wall: 9095.99, 0.00314644/step, 1.85273 hours remaining, 235.210938 MB of memory in use. ENERGY: 2880200 3965.9730 20610.5922 14465.4585 237.8484 -203014.5441 2422.9195 0.0000 0.0000 52081.1027 -109230.6498 299.3108 -161311.7525 -108861.3641 299.5347 -244.7993 -212.9696 762573.3187 -4.5979 -4.6773 LDB: ============= START OF LOAD BALANCING ============== 9108.52 LDB: ============== END OF LOAD BALANCING =============== 9108.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9108.53 LDB: ============= START OF LOAD BALANCING ============== 9108.84 LDB: Largest compute 7026 load 0.032112 is 16.4% of average load 0.195621 LDB: Average compute 0.004369 is 2.2% of average load 0.195621 LDB: TIME 9108.85 LOAD: AVG 0.195621 MAX 0.214145 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 9108.85 LOAD: AVG 0.195621 MAX 0.214145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 9108.85 LOAD: AVG 0.195621 MAX 0.214145 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 9108.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9108.85 PRESSURE: 2880400 130.734 -124.453 82.7686 -124.452 -204.888 -100.126 82.7687 -100.126 -281.02 GPRESSURE: 2880400 150.087 -58.3081 47.5443 -53.6693 -228.531 -205.899 40.3935 -189.98 -183.929 PRESSAVG: 2880400 19.8585 -15.4987 17.2927 -15.4988 11.2653 37.2585 17.2927 37.2585 29.3034 GPRESSAVG: 2880400 17.3351 -15.0443 19.1625 -14.6556 13.5827 37.1215 16.7279 35.5025 29.254 TIMING: 2880400 CPU: 9096.64, 0.00322019/step Wall: 9096.64, 0.00322019/step, 1.89598 hours remaining, 236.164062 MB of memory in use. ENERGY: 2880400 3987.1608 20538.9620 14513.3036 251.5957 -202759.0883 2206.5717 0.0000 0.0000 52135.4607 -109126.0339 299.6232 -161261.4946 -108761.6784 299.6397 -118.3912 -87.4578 761415.6269 20.1424 20.0573 PRESSURE: 2880600 -180.197 33.9131 -75.5384 33.9127 219.817 -288.476 -75.5376 -288.475 -147.075 GPRESSURE: 2880600 -91.0936 60.0155 -82.5678 -93.5365 231.451 -223.871 -96.383 -242.801 -169.121 PRESSAVG: 2880600 -8.87097 -22.2722 18.6016 -22.2722 15.4639 -31.9209 18.6017 -31.9209 13.1841 GPRESSAVG: 2880600 -6.68072 -20.1027 15.3838 -22.9087 15.0535 -30.0618 19.0966 -31.7551 11.2275 TIMING: 2880600 CPU: 9097.27, 0.00315309/step Wall: 9097.27, 0.00315309/step, 1.85629 hours remaining, 236.164062 MB of memory in use. ENERGY: 2880600 3896.6724 20562.4427 14453.3215 247.0109 -203188.3831 2627.3119 0.0000 0.0000 52061.8764 -109339.7473 299.2003 -161401.6238 -108979.4416 299.7927 -35.8182 -9.5880 761364.2386 6.5923 6.5334 PRESSURE: 2880800 235.817 28.6712 -80.8376 28.6723 208.136 -4.9932 -80.8365 -4.99262 408.714 GPRESSURE: 2880800 335.553 -134.039 -70.986 -10.7497 202.981 15.2597 -88.6348 52.7238 380.761 PRESSAVG: 2880800 -4.84676 -108.817 -32.6226 -108.817 26.8406 -4.55372 -32.6226 -4.55376 -26.6117 GPRESSAVG: 2880800 -4.48015 -109.243 -32.945 -108.886 26.7401 -5.00428 -32.3091 -4.72713 -26.8387 TIMING: 2880800 CPU: 9097.9, 0.00314658/step Wall: 9097.9, 0.00314659/step, 1.85229 hours remaining, 236.164062 MB of memory in use. ENERGY: 2880800 3925.1891 20713.0483 14443.1329 245.3277 -203505.7346 2717.8262 0.0000 0.0000 52279.0839 -109182.1265 300.4486 -161461.2105 -108819.1742 299.4743 284.2224 306.4314 760585.4102 -1.5393 -1.5262 PRESSURE: 2881000 -56.0463 -149.37 142.847 -149.371 66.5802 -47.6874 142.846 -47.6865 -48.2085 GPRESSURE: 2881000 -84.1616 -115.297 136.038 -189.85 150.653 -54.2484 112.42 -145.705 -12.8132 PRESSAVG: 2881000 7.57759 -68.7491 6.63615 -68.7492 -14.884 -2.5479 6.63618 -2.54792 0.216732 GPRESSAVG: 2881000 6.52881 -70.7035 6.419 -68.1205 -15.1416 -3.24337 4.91087 -0.667404 1.47474 TIMING: 2881000 CPU: 9098.53, 0.00314961/step Wall: 9098.53, 0.00314961/step, 1.85389 hours remaining, 236.164062 MB of memory in use. ENERGY: 2881000 3998.0292 20605.5210 14415.7821 260.8721 -203578.9332 2889.1604 0.0000 0.0000 52076.7630 -109332.8054 299.2859 -161409.5684 -108977.2297 299.6217 -12.5582 17.8928 762099.8975 -2.3632 -2.3793 PRESSURE: 2881200 -104.572 49.6877 -36.9729 49.6879 -264.84 -55.0205 -36.9722 -55.0212 -135.934 GPRESSURE: 2881200 -128.737 67.4263 -86.4731 100.825 -167.618 43.9169 153.077 -26.4467 -114.752 PRESSAVG: 2881200 -4.94854 6.9855 -4.97229 6.9855 3.49488 47.6877 -4.97235 47.6877 4.2965 GPRESSAVG: 2881200 -5.04983 7.29134 -6.03409 6.90722 3.7578 48.3226 -3.33766 45.6164 4.44518 TIMING: 2881200 CPU: 9099.16, 0.00315526/step Wall: 9099.16, 0.00315526/step, 1.85705 hours remaining, 236.164062 MB of memory in use. ENERGY: 2881200 4019.3667 20376.6328 14397.7346 246.1223 -203420.5705 2763.1344 0.0000 0.0000 52258.6847 -109358.8950 300.3314 -161617.5797 -108993.5775 299.7248 -168.4488 -137.0355 763175.8277 0.9476 1.0510 PRESSURE: 2881400 259.306 -63.2586 131.243 -63.2587 364.207 73.5353 131.242 73.5355 -129.986 GPRESSURE: 2881400 251.507 -6.19384 84.5672 36.2957 395.272 93.8143 97.099 121.695 -59.99 PRESSAVG: 2881400 -16.2773 -1.72049 -6.65354 -1.72052 37.5257 25.5165 -6.65358 25.5165 -13.9683 GPRESSAVG: 2881400 -17.1248 -0.179348 -3.81007 -1.94301 36.9612 25.5697 -7.97268 24.9516 -12.5416 TIMING: 2881400 CPU: 9099.79, 0.00317353/step Wall: 9099.79, 0.00317354/step, 1.86763 hours remaining, 236.164062 MB of memory in use. ENERGY: 2881400 3991.1391 20508.1229 14456.0077 240.1967 -203363.3443 2760.9151 0.0000 0.0000 52220.8257 -109186.1370 300.1138 -161406.9627 -108826.1458 299.5834 164.5091 195.5961 761652.2288 2.4267 2.4316 PRESSURE: 2881600 -248.257 -160.761 -119.425 -160.762 -204.396 77.4585 -119.424 77.4586 73.8554 GPRESSURE: 2881600 -235.491 -125.369 -76.8273 -215.429 -131.272 -6.76016 -145.865 91.8987 75.5219 PRESSAVG: 2881600 20.6871 -52.1274 -17.4661 -52.1274 -16.7524 -49.7433 -17.4662 -49.7433 -5.14801 GPRESSAVG: 2881600 21.3709 -53.8674 -18.2471 -50.3045 -16.3406 -52.0817 -16.7781 -45.8993 -5.75379 TIMING: 2881600 CPU: 9100.42, 0.00314669/step Wall: 9100.42, 0.00314669/step, 1.85165 hours remaining, 236.164062 MB of memory in use. ENERGY: 2881600 3912.0499 20667.1806 14442.0628 250.4193 -203247.8803 2481.0249 0.0000 0.0000 52169.5218 -109325.6211 299.8190 -161495.1428 -108955.1241 299.4713 -126.2659 -97.0804 762279.3808 -0.4044 -0.2412 PRESSURE: 2881800 -445.46 -48.8989 -24.5336 -48.899 -455.367 209.42 -24.5346 209.421 -485.023 GPRESSURE: 2881800 -354.016 -15.8918 6.19284 31.0368 -493.012 255.71 -177.553 228.633 -468.709 PRESSAVG: 2881800 18.1068 -40.3953 45.6762 -40.3954 -1.14864 5.18952 45.6761 5.18963 6.67995 GPRESSAVG: 2881800 18.8975 -39.8824 46.0279 -40.6721 -1.18623 5.53585 45.3465 3.49909 5.9742 TIMING: 2881800 CPU: 9101.05, 0.00315636/step Wall: 9101.05, 0.00315636/step, 1.85717 hours remaining, 236.164062 MB of memory in use. ENERGY: 2881800 3986.2574 20468.6677 14440.2292 231.9797 -202916.5862 2352.1470 0.0000 0.0000 52077.6944 -109359.6107 299.2912 -161437.3051 -108991.6431 299.2505 -461.9500 -438.5788 762327.9401 7.8794 7.8952 PRESSURE: 2882000 -254.792 38.1549 226.048 38.1543 259.939 -0.771255 226.048 -0.771273 18.144 GPRESSURE: 2882000 -142.278 69.4141 119.202 99.855 213.784 58.8325 133.709 -84.0555 34.994 PRESSAVG: 2882000 15.4546 -68.8968 -41.78 -68.8968 -23.8802 9.11291 -41.78 9.11291 -8.19277 GPRESSAVG: 2882000 16.7775 -68.0615 -43.5144 -69.2872 -25.7258 10.9196 -42.9814 9.11631 -7.67261 TIMING: 2882000 CPU: 9101.68, 0.00315029/step Wall: 9101.68, 0.00315029/step, 1.85342 hours remaining, 236.164062 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: 2882000 4047.1813 20455.2059 14419.8397 264.7046 -203276.6711 2761.3575 0.0000 0.0000 52193.1501 -109135.2321 299.9548 -161328.3822 -108765.1666 299.6511 7.7639 35.4998 764090.3515 -5.5394 -5.5403 PRESSURE: 2882200 -240.722 -22.8661 -89.5745 -22.8653 -17.3435 86.5217 -89.575 86.5208 74.8201 GPRESSURE: 2882200 -249.319 -0.530745 -90.9398 -29.3868 37.6298 123.6 -65.7901 37.9652 124.99 PRESSAVG: 2882200 28.6378 -96.8921 6.0472 -96.892 -11.1124 -41.7949 6.04722 -41.7949 -13.8785 GPRESSAVG: 2882200 27.2019 -98.1404 7.57327 -97.9179 -9.9651 -41.6074 6.99123 -44.1244 -13.3818 TIMING: 2882200 CPU: 9102.31, 0.00314257/step Wall: 9102.31, 0.00314257/step, 1.8487 hours remaining, 236.164062 MB of memory in use. ENERGY: 2882200 4066.4019 20473.9356 14433.3896 240.7791 -203630.0757 2863.5531 0.0000 0.0000 52073.4142 -109478.6022 299.2666 -161552.0164 -109114.1648 299.4890 -61.0817 -28.8998 763353.4635 1.2156 1.2850 PRESSURE: 2882400 -62.254 124.877 67.3492 124.877 14.7991 -111.649 67.3488 -111.649 -328.847 GPRESSURE: 2882400 11.3238 29.0842 138.926 178.593 37.6051 -84.4438 58.9843 -138.283 -323.707 PRESSAVG: 2882400 -20.355 -16.5556 -24.3862 -16.5556 9.77906 21.148 -24.3863 21.148 16.7563 GPRESSAVG: 2882400 -18.8341 -17.2422 -23.3575 -16.7649 9.27215 19.9741 -24.2521 23.0961 16.3318 TIMING: 2882400 CPU: 9102.94, 0.00315101/step Wall: 9102.94, 0.00315101/step, 1.8535 hours remaining, 236.164062 MB of memory in use. ENERGY: 2882400 3993.6549 20654.9206 14433.6988 268.9259 -203295.6367 2470.2340 0.0000 0.0000 52105.1091 -109369.0933 299.4488 -161474.2024 -109005.8887 299.1988 -125.4339 -91.5929 761673.6045 2.0601 2.2566 PRESSURE: 2882600 260.196 25.5495 2.99636 25.5506 -5.96971 19.002 2.99591 19.0016 90.7886 GPRESSURE: 2882600 253.122 47.0495 75.7843 -36.6391 58.8378 -21.5605 -64.1665 95.1522 101.331 PRESSAVG: 2882600 44.3834 -8.80584 36.904 -8.80584 -44.3368 -16.8624 36.904 -16.8623 5.46362 GPRESSAVG: 2882600 43.5593 -7.2261 37.7435 -8.87999 -43.3278 -16.343 37.1639 -18.9732 5.22617 TIMING: 2882600 CPU: 9103.57, 0.00316582/step Wall: 9103.57, 0.00316582/step, 1.86203 hours remaining, 236.164062 MB of memory in use. ENERGY: 2882600 3984.6509 20540.5815 14490.9375 257.8359 -203295.0471 2721.0668 0.0000 0.0000 51991.3519 -109308.6225 298.7950 -161299.9745 -108943.3495 299.9094 115.0050 137.7634 763679.3423 1.8367 1.8192 PRESSURE: 2882800 98.4129 102.708 182.329 102.708 -287.849 -153.412 182.329 -153.41 -192.16 GPRESSURE: 2882800 82.4611 27.6435 147.501 95.6035 -209.386 -200.393 311.431 -137.969 -176.831 PRESSAVG: 2882800 21.3263 -9.59686 -9.03574 -9.59684 -47.3586 -62.5303 -9.03575 -62.5303 -14.1667 GPRESSAVG: 2882800 22.3758 -8.93556 -9.86952 -10.511 -48.8812 -63.2533 -8.2183 -61.0699 -13.794 TIMING: 2882800 CPU: 9104.21, 0.00318153/step Wall: 9104.21, 0.00318153/step, 1.8711 hours remaining, 236.164062 MB of memory in use. ENERGY: 2882800 4034.2902 20702.5707 14571.3987 248.7038 -203457.2025 2707.2987 0.0000 0.0000 51987.4786 -109205.4617 298.7728 -161192.9403 -108842.3701 299.1677 -127.1987 -101.2518 761313.8442 -13.3997 -13.4332 PRESSURE: 2883000 -316.3 31.3522 66.0846 31.3525 17.2512 -73.9986 66.0847 -73.9999 -625.473 GPRESSURE: 2883000 -352.238 7.70812 48.6726 34.431 156.145 -43.2961 -41.454 83.7422 -656.736 PRESSAVG: 2883000 -13.2652 -56.8231 9.36801 -56.8232 5.42514 -26.3345 9.36803 -26.3345 12.2838 GPRESSAVG: 2883000 -14.9177 -58.9213 7.8828 -56.6161 7.40787 -27.4844 7.70956 -25.9391 12.548 TIMING: 2883000 CPU: 9104.84, 0.0031476/step Wall: 9104.84, 0.0031476/step, 1.85096 hours remaining, 236.164062 MB of memory in use. ENERGY: 2883000 4018.3868 20530.7795 14489.4977 248.8718 -203014.6925 2636.6445 0.0000 0.0000 52110.3649 -108980.1473 299.4790 -161090.5123 -108620.5155 300.1618 -308.1738 -284.2762 763758.9298 1.4812 1.6794 PRESSURE: 2883200 -7.85669 40.0616 -199.06 40.0603 31.5817 122.058 -199.06 122.059 21.217 GPRESSURE: 2883200 38.8605 -46.1057 -126.525 85.9638 69.3843 138.871 -196.723 264.047 17.7936 PRESSAVG: 2883200 0.163524 -20.6669 -5.4919 -20.6668 -46.6535 -39.1954 -5.49186 -39.1953 2.37723 GPRESSAVG: 2883200 0.546804 -19.953 -3.75633 -20.8105 -45.0248 -36.9079 -5.94816 -38.5711 0.838733 TIMING: 2883200 CPU: 9105.47, 0.00314825/step Wall: 9105.47, 0.00314825/step, 1.85117 hours remaining, 236.164062 MB of memory in use. ENERGY: 2883200 4042.7653 20570.0061 14475.6260 233.3364 -203437.1795 2655.8722 0.0000 0.0000 52437.2146 -109022.3589 301.3574 -161459.5735 -108658.8241 300.0291 14.9807 42.0128 761957.8620 -14.7043 -14.5464 PRESSURE: 2883400 183.173 -65.2249 -195.171 -65.2265 -87.9028 -140.219 -195.172 -140.219 -42.5098 GPRESSURE: 2883400 144.618 -98.2926 -236.326 4.63437 -43.2309 -82.0203 -39.7402 -145.452 38.7673 PRESSAVG: 2883400 23.7973 -36.4473 0.530284 -36.4473 32.5546 -5.85398 0.53032 -5.8539 9.6423 GPRESSAVG: 2883400 23.4064 -37.6635 -1.0371 -34.496 30.3623 -6.87789 2.33573 -5.24623 12.7377 TIMING: 2883400 CPU: 9106.1, 0.00317486/step Wall: 9106.1, 0.00317486/step, 1.86664 hours remaining, 236.164062 MB of memory in use. ENERGY: 2883400 3980.4069 20585.5526 14461.4004 238.5865 -203481.8866 2739.0698 0.0000 0.0000 52351.8755 -109124.9949 300.8669 -161476.8704 -108753.7465 300.2655 17.5868 46.7181 762714.9419 21.9981 22.1688 PRESSURE: 2883600 -48.9842 -56.8523 125.825 -56.8524 -181.856 111.613 125.825 111.612 48.3379 GPRESSURE: 2883600 -65.8072 92.5487 78.477 -98.9373 -113.231 162.966 116.239 98.1401 85.7851 PRESSAVG: 2883600 35.6099 -51.4366 -61.7983 -51.4366 -12.1197 10.5237 -61.7983 10.5237 -5.09034 GPRESSAVG: 2883600 35.8998 -48.343 -60.8764 -52.0341 -12.4322 11.474 -63.3756 10.2515 -5.59094 TIMING: 2883600 CPU: 9106.74, 0.00316763/step Wall: 9106.74, 0.00316763/step, 1.86221 hours remaining, 236.164062 MB of memory in use. ENERGY: 2883600 4001.7029 20548.2392 14386.6981 242.9641 -203272.2017 2611.9952 0.0000 0.0000 51982.6977 -109497.9045 298.7453 -161480.6022 -109128.3075 299.4335 -60.8342 -31.0843 761935.9441 6.1333 5.9589 PRESSURE: 2883800 -241.003 -259.13 110.935 -259.13 -80.0528 176.842 110.936 176.84 -405.625 GPRESSURE: 2883800 -116.787 -272.379 77.9316 -269.691 -103.862 151.596 33.5383 156.901 -409.135 PRESSAVG: 2883800 79.2605 -7.2352 -10.766 -7.23524 -77.3994 60.6425 -10.766 60.6425 7.04619 GPRESSAVG: 2883800 78.6907 -9.34337 -11.9662 -9.3425 -76.6016 61.1784 -9.83624 58.6487 6.66005 TIMING: 2883800 CPU: 9107.37, 0.00315899/step Wall: 9107.37, 0.00315899/step, 1.85696 hours remaining, 236.164062 MB of memory in use. ENERGY: 2883800 3963.1879 20548.1440 14455.6790 252.0489 -203088.0103 2373.2864 0.0000 0.0000 51887.1460 -109608.5179 298.1961 -161495.6640 -109257.4891 298.7603 -242.2270 -209.9280 763342.3284 2.9691 2.9164 PRESSURE: 2884000 42.1333 55.8854 27.415 55.8855 -226.921 163.082 27.4157 163.082 -160.322 GPRESSURE: 2884000 10.6477 101.509 30.6104 -22.9257 -157.918 50.8553 -107.67 162.753 -101.18 PRESSAVG: 2884000 2.27749 13.2446 -7.13977 13.2446 -6.76929 9.07419 -7.13977 9.07418 -22.6387 GPRESSAVG: 2884000 3.42728 15.2017 -6.67153 13.3183 -7.75688 7.78748 -6.45875 7.67549 -22.4772 TIMING: 2884000 CPU: 9108, 0.00315394/step Wall: 9108, 0.00315394/step, 1.85381 hours remaining, 236.164062 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: 2884000 3917.4851 20445.8669 14496.2400 264.1971 -203445.7008 2739.0374 0.0000 0.0000 52015.3230 -109567.5512 298.9328 -161582.8742 -109213.8176 298.8591 -115.0367 -82.8169 762064.0877 -9.0435 -8.9356 PRESSURE: 2884200 92.4689 -17.9531 8.11491 -17.9532 -163.333 123.395 8.11556 123.395 -232.126 GPRESSURE: 2884200 2.81832 -24.9564 29.7439 -20.6947 -4.0073 117.329 30.6108 192.888 -223.887 PRESSAVG: 2884200 -6.73913 -13.4434 -0.249364 -13.4434 -12.417 -8.84713 -0.249357 -8.84716 4.41756 GPRESSAVG: 2884200 -6.62719 -15.0298 0.822142 -12.7987 -12.2288 -7.7828 -0.306342 -6.70321 4.40969 TIMING: 2884200 CPU: 9108.63, 0.00315326/step Wall: 9108.63, 0.00315326/step, 1.85324 hours remaining, 236.164062 MB of memory in use. ENERGY: 2884200 4031.0678 20580.2886 14407.5421 256.3867 -203492.1241 2694.4739 0.0000 0.0000 52061.8216 -109460.5434 299.2000 -161522.3650 -109099.0181 298.5680 -100.9966 -75.0254 761072.8123 -4.9129 -4.8154 LDB: ============= START OF LOAD BALANCING ============== 9121.16 LDB: ============== END OF LOAD BALANCING =============== 9121.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9121.16 LDB: ============= START OF LOAD BALANCING ============== 9121.48 LDB: Largest compute 7067 load 0.032173 is 16.5% of average load 0.195488 LDB: Average compute 0.004379 is 2.2% of average load 0.195488 LDB: TIME 9121.48 LOAD: AVG 0.195488 MAX 0.214305 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 9121.48 LOAD: AVG 0.195488 MAX 0.214305 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 9121.48 LOAD: AVG 0.195488 MAX 0.214305 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 9121.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9121.49 PRESSURE: 2884400 -83.7114 168.102 -6.62961 168.102 -36.4068 307.408 -6.62946 307.408 -156.248 GPRESSURE: 2884400 -28.1061 114.543 22.597 124.754 -24.1742 267.735 -73.2283 194.594 -159.286 PRESSAVG: 2884400 3.10618 28.4056 21.2975 28.4056 2.41807 15.0531 21.2976 15.053 -4.40662 GPRESSAVG: 2884400 2.4586 26.4078 21.9859 28.2622 3.23077 14.9778 20.1168 13.1359 -4.90978 TIMING: 2884400 CPU: 9109.28, 0.00321818/step Wall: 9109.28, 0.00321818/step, 1.89122 hours remaining, 234.679688 MB of memory in use. ENERGY: 2884400 3984.7016 20637.9521 14465.1918 263.7945 -203789.3595 2742.1712 0.0000 0.0000 52265.8643 -109429.6840 300.3726 -161695.5483 -109073.3394 298.9342 -92.1219 -70.5221 760976.4215 0.3725 0.2599 PRESSURE: 2884600 -300.539 62.0208 140.293 62.0202 -120.147 -2.14066 140.294 -2.14145 -478.741 GPRESSURE: 2884600 -225.223 43.3878 140.978 90.4717 -121.44 16.7107 21.1232 8.74596 -473.155 PRESSAVG: 2884600 -25.1623 -35.1234 26.5232 -35.1235 65.1005 -9.19199 26.5232 -9.19199 10.3088 GPRESSAVG: 2884600 -23.7966 -34.1737 24.4794 -33.7667 62.2065 -10.6059 26.7835 -6.60387 11.6637 TIMING: 2884600 CPU: 9109.91, 0.00316036/step Wall: 9109.91, 0.00316036/step, 1.85706 hours remaining, 234.679688 MB of memory in use. ENERGY: 2884600 4093.1436 20518.1607 14441.7733 245.9106 -202666.2021 2151.4082 0.0000 0.0000 51801.2235 -109414.5822 297.7023 -161215.8056 -109059.9176 299.3643 -299.8089 -273.2725 761982.4038 16.7490 16.6912 PRESSURE: 2884800 -240.869 -157.475 -69.1754 -157.475 -57.3412 141.239 -69.1751 141.239 -247.175 GPRESSURE: 2884800 -188.842 -190.374 -61.5433 -74.3261 32.4951 77.1035 -128.461 276.433 -312.244 PRESSAVG: 2884800 -39.7262 9.42927 -23.4229 9.42922 9.61547 -11.5688 -23.4229 -11.5688 15.6313 GPRESSAVG: 2884800 -41.4729 12.1738 -23.337 7.40246 12.3758 -10.8836 -20.0009 -13.0166 13.8652 TIMING: 2884800 CPU: 9110.54, 0.00315386/step Wall: 9110.54, 0.00315386/step, 1.85307 hours remaining, 234.679688 MB of memory in use. ENERGY: 2884800 3957.3318 20530.1942 14493.8465 233.9564 -202727.9222 2303.7601 0.0000 0.0000 52176.3784 -109032.4548 299.8584 -161208.8332 -108669.8806 298.9793 -181.7952 -156.1968 764066.0709 -4.8265 -5.0773 PRESSURE: 2885000 37.2485 106.084 -408.392 106.084 174.511 -154.085 -408.392 -154.085 233.147 GPRESSURE: 2885000 157.457 102.925 -387.888 110.075 231.813 -116.186 -329.414 -162.114 169.978 PRESSAVG: 2885000 43.7606 -9.00027 -42.8295 -9.00024 -4.95535 -18.1748 -42.8295 -18.1747 -15.6461 GPRESSAVG: 2885000 44.5349 -11.2819 -43.4896 -7.80686 -5.61756 -18.0171 -44.8454 -17.9122 -15.2332 TIMING: 2885000 CPU: 9111.17, 0.00315814/step Wall: 9111.17, 0.00315814/step, 1.85541 hours remaining, 234.679688 MB of memory in use. ENERGY: 2885000 3932.8595 20500.7005 14445.1185 245.4213 -203300.4967 2793.0201 0.0000 0.0000 52252.5631 -109130.8137 300.2962 -161383.3768 -108767.4409 299.8084 148.3022 186.4162 762776.1705 7.7197 7.8947 PRESSURE: 2885200 21.779 -43.037 -76.6979 -43.0366 219.907 -47.2198 -76.6977 -47.2196 -515.632 GPRESSURE: 2885200 51.8472 23.684 -28.4382 -74.9997 213.731 -5.68127 42.8642 4.97924 -457.088 PRESSAVG: 2885200 26.896 10.363 59.8396 10.3629 -46.1846 7.73775 59.8396 7.73781 12.8881 GPRESSAVG: 2885200 25.9538 13.5222 61.7375 9.33166 -46.4388 8.78499 59.0505 8.90683 13.9543 TIMING: 2885200 CPU: 9111.8, 0.00315801/step Wall: 9111.8, 0.00315801/step, 1.85516 hours remaining, 234.769531 MB of memory in use. ENERGY: 2885200 4022.1755 20450.7324 14458.0416 259.7513 -203690.8394 3092.0812 0.0000 0.0000 52200.3303 -109207.7270 299.9960 -161408.0573 -108859.3961 298.9404 -91.3150 -63.8366 763095.0598 -2.1335 -2.1769 PRESSURE: 2885400 -68.9501 20.4594 95.3232 20.4593 -87.9768 55.2771 95.3228 55.2778 -224.941 GPRESSURE: 2885400 7.54771 42.806 43.4883 24.7585 -52.3735 33.4149 69.3598 26.3148 -257.269 PRESSAVG: 2885400 61.3571 -16.9657 -12.3247 -16.9657 -21.1284 -12.9865 -12.3247 -12.9865 -25.292 GPRESSAVG: 2885400 63.6837 -19.6939 -14.2707 -14.7644 -22.1153 -14.0819 -10.7733 -13.1246 -26.5957 TIMING: 2885400 CPU: 9112.43, 0.00313397/step Wall: 9112.43, 0.00313397/step, 1.84086 hours remaining, 234.972656 MB of memory in use. ENERGY: 2885400 3983.8529 20480.7329 14383.8002 241.0244 -203027.5304 2687.9231 0.0000 0.0000 51880.6048 -109369.5919 298.1585 -161250.1967 -109007.6903 299.0959 -127.2892 -100.6984 761847.4850 4.9789 4.9909 PRESSURE: 2885600 -209.894 -71.7524 143.499 -71.7521 -214.551 -70.5824 143.5 -70.5816 -490.098 GPRESSURE: 2885600 -150.126 -132.881 70.4952 -58.0569 -222.301 -50.5707 100.075 -116.686 -481.785 PRESSAVG: 2885600 13.7191 -8.79599 81.6292 -8.79602 -1.08034 4.64866 81.6292 4.64872 -30.0819 GPRESSAVG: 2885600 13.0237 -8.00674 81.2493 -11.1122 -0.666999 5.35778 80.6228 2.52225 -29.7834 TIMING: 2885600 CPU: 9113.06, 0.00313927/step Wall: 9113.06, 0.00313927/step, 1.8438 hours remaining, 234.972656 MB of memory in use. ENERGY: 2885600 3987.7086 20594.5451 14419.7341 241.5736 -203376.9766 2528.0331 0.0000 0.0000 52199.2460 -109406.1362 299.9898 -161605.3822 -109049.7698 298.6561 -304.8476 -284.7373 761372.4151 -5.8144 -5.8089 PRESSURE: 2885800 -176.976 -52.4252 298.387 -52.4247 -163.663 -251.108 298.387 -251.109 -17.0954 GPRESSURE: 2885800 -197.615 36.0524 266.926 37.8684 -64.5479 -217.121 171.635 -171.075 -24.499 PRESSAVG: 2885800 -67.098 7.10549 9.5525 7.10551 43.1372 -32.5664 9.55253 -32.5663 -12.6317 GPRESSAVG: 2885800 -68.5732 5.6224 10.5649 10.4418 44.5144 -35.2097 9.86265 -31.6069 -12.3246 TIMING: 2885800 CPU: 9113.69, 0.00314843/step Wall: 9113.69, 0.00314843/step, 1.84901 hours remaining, 234.972656 MB of memory in use. ENERGY: 2885800 3958.8236 20510.5064 14384.6003 265.8219 -203232.2915 2342.4471 0.0000 0.0000 52262.4920 -109507.6002 300.3533 -161770.0922 -109138.9003 299.2618 -119.2450 -95.5540 761438.3801 -12.1975 -12.1278 PRESSURE: 2886000 79.4175 -62.1335 -109.417 -62.1341 -152.068 128.722 -109.416 128.722 146.119 GPRESSURE: 2886000 116.446 -73.7099 -75.9774 -35.2896 -129.612 102.369 -173.972 228.325 178.619 PRESSAVG: 2886000 72.0228 2.11448 17.5606 2.11446 -28.3266 28.9938 17.5605 28.9939 2.27297 GPRESSAVG: 2886000 72.152 1.59823 17.0757 0.364144 -29.4089 30.9658 18.9773 28.0794 3.028 TIMING: 2886000 CPU: 9114.32, 0.0031655/step Wall: 9114.32, 0.0031655/step, 1.85885 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: 2886000 4053.9533 20454.3220 14385.2996 259.9873 -203055.6532 2510.5392 0.0000 0.0000 51895.8211 -109495.7308 298.2460 -161391.5518 -109140.4484 298.8743 24.4894 55.1511 759857.3567 15.3231 15.2570 PRESSURE: 2886200 -151.519 37.984 27.2868 37.9852 77.5499 133.797 27.2874 133.797 -368.195 GPRESSURE: 2886200 -86.2002 -91.9817 60.1352 29.3821 91.7949 86.3048 -41.0106 23.2707 -359.9 PRESSAVG: 2886200 -35.1757 4.10191 42.6104 4.10195 50.3917 5.31343 42.6105 5.31338 12.7468 GPRESSAVG: 2886200 -34.4665 4.04036 44.5175 3.78335 49.7134 2.91306 40.7406 7.06754 12.7823 TIMING: 2886200 CPU: 9114.95, 0.00314529/step Wall: 9114.95, 0.00314529/step, 1.84681 hours remaining, 234.972656 MB of memory in use. ENERGY: 2886200 3994.7566 20512.2007 14484.3596 240.6294 -203171.4352 2677.1775 0.0000 0.0000 52005.2424 -109257.0689 298.8748 -161262.3113 -108896.0017 299.0170 -147.3881 -118.1019 762016.4557 9.3209 9.3431 PRESSURE: 2886400 10.1163 122.267 187.189 122.267 -286.663 -44.7473 187.188 -44.7468 -123.146 GPRESSURE: 2886400 55.7138 35.7431 99.7606 135.138 -274.436 -43.5374 141.718 -28.0623 -82.6257 PRESSAVG: 2886400 47.3256 -1.50622 8.30946 -1.50623 -40.2691 36.1753 8.30949 36.1753 3.43316 GPRESSAVG: 2886400 47.0001 -0.911705 6.92221 -0.625995 -40.4506 36.9194 8.64897 35.3081 4.40453 TIMING: 2886400 CPU: 9115.58, 0.00314818/step Wall: 9115.58, 0.00314818/step, 1.84833 hours remaining, 234.972656 MB of memory in use. ENERGY: 2886400 4029.9461 20471.4743 14494.4007 238.7589 -203000.4679 2806.2619 0.0000 0.0000 52016.4297 -108943.1963 298.9391 -160959.6260 -108576.1893 299.5591 -133.2308 -100.4493 762400.8430 3.4965 3.6513 PRESSURE: 2886600 -237.893 -15.4112 -6.45586 -15.4111 68.3266 69.7265 -6.45723 69.7255 -246.65 GPRESSURE: 2886600 -176.596 -24.5733 28.9432 -49.5849 70.5959 80.2927 49.7793 82.6513 -213.295 PRESSAVG: 2886600 20.317 7.85721 -9.44369 7.85721 17.3251 29.9377 -9.44362 29.9376 28.8882 GPRESSAVG: 2886600 19.1486 7.22911 -10.1399 6.08204 19.3634 30.922 -8.08956 29.2307 28.0132 TIMING: 2886600 CPU: 9116.21, 0.0031459/step Wall: 9116.21, 0.0031459/step, 1.84682 hours remaining, 234.972656 MB of memory in use. ENERGY: 2886600 3943.1510 20427.5446 14544.7674 248.1659 -202727.1061 2462.2511 0.0000 0.0000 52136.4466 -108964.7795 299.6289 -161101.2261 -108601.1424 300.0797 -138.7388 -106.4317 762343.5059 22.1767 22.1751 PRESSURE: 2886800 -334.122 1.61949 19.2592 1.61827 48.4685 -83.4563 19.2602 -83.4577 -26.3694 GPRESSURE: 2886800 -242.739 -4.49852 85.8689 32.4404 40.0327 -26.6033 26.236 -23.3865 -27.0349 PRESSAVG: 2886800 -11.9659 -26.0099 -34.7007 -26.0099 24.1246 13.0258 -34.7007 13.0258 12.2144 GPRESSAVG: 2886800 -10.3567 -26.3522 -33.0044 -23.5338 23.3628 13.5909 -36.3723 15.2697 11.2748 TIMING: 2886800 CPU: 9116.84, 0.00315849/step Wall: 9116.84, 0.00315849/step, 1.85403 hours remaining, 234.972656 MB of memory in use. ENERGY: 2886800 3981.5476 20636.8157 14473.5512 247.8197 -203531.9394 2788.2717 0.0000 0.0000 52130.9266 -109273.0070 299.5972 -161403.9335 -108903.1069 299.2779 -104.0076 -76.5804 762465.7338 8.1244 8.0936 PRESSURE: 2887000 -524.142 59.4621 246.159 59.4629 -155.022 53.5518 246.159 53.5526 -233.139 GPRESSURE: 2887000 -416.933 241.075 246.032 -65.7023 -189.971 4.78631 191.333 -47.9474 -235.209 PRESSAVG: 2887000 -10.0053 -27.1658 35.3827 -27.1658 37.1806 -7.69459 35.3827 -7.69453 -10.8558 GPRESSAVG: 2887000 -10.1611 -25.0021 34.1069 -28.6108 36.5076 -8.59462 37.3779 -7.9206 -9.80799 TIMING: 2887000 CPU: 9117.47, 0.00316496/step Wall: 9117.47, 0.00316496/step, 1.85766 hours remaining, 234.972656 MB of memory in use. ENERGY: 2887000 4028.0439 20509.8343 14514.6030 250.0923 -203110.1984 2474.4367 0.0000 0.0000 52064.3719 -109268.8164 299.2147 -161333.1883 -108900.0435 299.6681 -304.1010 -280.7044 763079.8213 5.4398 5.5128 PRESSURE: 2887200 262.175 -59.1933 63.5618 -59.1919 66.245 -72.7396 63.5621 -72.7391 -289.439 GPRESSURE: 2887200 223.231 21.8661 64.2363 -86.5615 113.921 -17.474 15.2576 27.1156 -199.124 PRESSAVG: 2887200 35.1854 19.1191 16.0816 19.1191 8.69164 -2.63929 16.0815 -2.63931 -8.57697 GPRESSAVG: 2887200 34.1601 20.4 16.5335 17.8073 9.63696 -2.72497 15.7293 -3.29454 -8.81952 TIMING: 2887200 CPU: 9118.1, 0.00316379/step Wall: 9118.1, 0.00316379/step, 1.8568 hours remaining, 234.972656 MB of memory in use. ENERGY: 2887200 3957.3984 20582.8871 14484.1667 257.4597 -203505.9555 2640.6604 0.0000 0.0000 52127.4077 -109455.9755 299.5769 -161583.3832 -109091.7223 299.3399 12.9936 46.0092 761239.4834 11.7667 11.6592 PRESSURE: 2887400 -178.508 240.144 -75.9938 240.144 -83.3182 -187.66 -75.9932 -187.661 -178.435 GPRESSURE: 2887400 -128.329 123.265 -20.4327 28.6632 -73.8672 -161.307 3.90481 -35.997 -152.732 PRESSAVG: 2887400 12.3417 -16.5625 65.1957 -16.5626 -13.4374 71.2693 65.1957 71.2693 8.91187 GPRESSAVG: 2887400 12.8718 -18.3254 65.1495 -15.3215 -14.3767 72.4094 65.1252 71.8394 9.29441 TIMING: 2887400 CPU: 9118.73, 0.00315186/step Wall: 9118.73, 0.00315186/step, 1.84962 hours remaining, 234.972656 MB of memory in use. ENERGY: 2887400 4036.2164 20558.6564 14425.3613 249.6640 -203756.8101 3025.8710 0.0000 0.0000 52309.8173 -109151.2238 300.6252 -161461.0411 -108784.8407 299.1758 -146.7538 -118.3094 763891.4211 2.6054 2.5965 PRESSURE: 2887600 -199.391 167.868 320.04 167.868 36.9174 -47.4746 320.041 -47.4747 -105.64 GPRESSURE: 2887600 -230.387 117.095 304.328 148.207 100.329 38.6563 341.349 -61.3817 -52.0232 PRESSAVG: 2887600 -0.376005 -8.44772 36.754 -8.44766 14.9312 -66.6886 36.754 -66.6886 -7.10369 GPRESSAVG: 2887600 -0.443328 -8.10038 37.5469 -8.4957 15.1134 -66.7647 34.8249 -67.6359 -6.86673 TIMING: 2887600 CPU: 9119.36, 0.00315117/step Wall: 9119.36, 0.00315117/step, 1.84904 hours remaining, 234.972656 MB of memory in use. ENERGY: 2887600 4059.0996 20633.1936 14393.2314 239.9627 -203202.2758 2500.9529 0.0000 0.0000 52087.0105 -109288.8252 299.3448 -161375.8357 -108922.2107 299.8203 -89.3711 -60.6937 763880.6138 2.4838 2.6011 PRESSURE: 2887800 -30.3024 -217.074 64.0926 -217.074 -213.832 -144.15 64.0929 -144.149 -302.37 GPRESSURE: 2887800 6.11264 -230.024 165.52 -266.126 -204.923 -157.833 -13.1526 18.3518 -257.199 PRESSAVG: 2887800 42.0713 -6.41164 -11.6374 -6.41164 -9.7111 -29.3608 -11.6375 -29.3608 -6.19137 GPRESSAVG: 2887800 42.3431 -6.67408 -11.9332 -6.75019 -10.0408 -29.8645 -10.8181 -29.4689 -6.51405 TIMING: 2887800 CPU: 9119.99, 0.00314864/step Wall: 9119.99, 0.00314864/step, 1.84738 hours remaining, 234.972656 MB of memory in use. ENERGY: 2887800 3977.2591 20491.8439 14456.2643 249.7250 -203100.8399 2514.0404 0.0000 0.0000 52120.2290 -109291.4783 299.5357 -161411.7073 -108932.9451 299.5066 -182.1684 -152.0032 763681.2968 8.7230 8.5961 PRESSURE: 2888000 122.758 56.6985 -58.6777 56.6986 29.0138 -276.142 -58.6782 -276.142 -56.6448 GPRESSURE: 2888000 177.887 52.5292 -158.43 48.6982 21.5522 -309.749 -28.0666 -289.018 0.284685 PRESSAVG: 2888000 56.5794 -10.7464 0.288173 -10.7464 -41.8511 -24.0044 0.288152 -24.0045 14.6713 GPRESSAVG: 2888000 56.7024 -10.4604 -0.360701 -8.80954 -41.8014 -25.2807 3.26457 -23.3811 14.5486 TIMING: 2888000 CPU: 9120.62, 0.00314942/step Wall: 9120.62, 0.00314942/step, 1.84766 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: 2888000 3984.8798 20581.4755 14531.8287 240.5930 -203345.5110 2641.5110 0.0000 0.0000 51875.8852 -109489.3379 298.1314 -161365.2230 -109129.9535 298.4570 31.7091 66.5747 762712.7586 9.7999 9.8166 PRESSURE: 2888200 -576.056 -226.005 362.393 -226.005 -156.44 179.411 362.393 179.411 30.7678 GPRESSURE: 2888200 -560.601 -176.59 417.889 -160.819 -101.782 144.542 291.509 269.227 49.7849 PRESSAVG: 2888200 27.0242 2.64305 -2.72659 2.643 -13.3625 -45.5112 -2.72665 -45.5113 -8.72464 GPRESSAVG: 2888200 26.7997 2.16077 -2.75504 1.67586 -12.858 -43.7246 -6.72808 -47.9484 -8.43278 TIMING: 2888200 CPU: 9121.25, 0.00314269/step Wall: 9121.25, 0.00314269/step, 1.84353 hours remaining, 235.175781 MB of memory in use. ENERGY: 2888200 4032.1147 20380.4315 14462.9121 263.0106 -203299.1160 2522.4840 0.0000 0.0000 52098.5275 -109539.6356 299.4110 -161638.1631 -109174.3738 298.7856 -233.9095 -204.1994 765180.5023 1.6457 1.8363 LDB: ============= START OF LOAD BALANCING ============== 9133.78 LDB: ============== END OF LOAD BALANCING =============== 9133.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9133.78 LDB: ============= START OF LOAD BALANCING ============== 9134.1 LDB: Largest compute 7075 load 0.032372 is 16.6% of average load 0.195496 LDB: Average compute 0.004399 is 2.2% of average load 0.195496 LDB: TIME 9134.11 LOAD: AVG 0.195496 MAX 0.218524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 9134.11 LOAD: AVG 0.195496 MAX 0.218524 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.133 MB LDB: TIME 9134.11 LOAD: AVG 0.195496 MAX 0.216382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.133 MB LDB: ============== END OF LOAD BALANCING =============== 9134.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9134.11 PRESSURE: 2888400 -88.445 86.6243 -90.3367 86.6247 128.97 93.7759 -90.3363 93.7761 -47.4441 GPRESSURE: 2888400 -16.1369 125.322 -197.94 122.512 134.004 80.1085 42.637 103.14 -44.4383 PRESSAVG: 2888400 -55.0362 -2.93663 -29.4383 -2.93662 43.1253 22.8611 -29.4382 22.8611 -22.141 GPRESSAVG: 2888400 -54.9512 -3.19726 -28.3486 -2.97878 42.9517 20.7341 -29.3308 25.2835 -21.7596 TIMING: 2888400 CPU: 9121.9, 0.00321758/step Wall: 9121.9, 0.00321758/step, 1.88729 hours remaining, 234.167969 MB of memory in use. ENERGY: 2888400 3971.8199 20508.6991 14497.3779 249.5731 -203335.3519 2424.0073 0.0000 0.0000 52281.3187 -109402.5560 300.4615 -161683.8746 -109033.5422 298.7477 -2.3064 24.4763 763593.0115 -11.3506 -11.2530 PRESSURE: 2888600 -186.814 259.956 -41.1682 259.956 -326.843 -253.412 -41.1681 -253.411 84.5681 GPRESSURE: 2888600 -256.878 91.9495 -31.4149 197.648 -217.566 -164.151 -47.1633 -51.0842 146.186 PRESSAVG: 2888600 -59.6857 37.5016 -20.9853 37.5017 23.9948 -40.3181 -20.9853 -40.3181 -5.70917 GPRESSAVG: 2888600 -59.4668 38.6024 -21.8571 37.4549 24.2332 -40.1648 -18.7653 -39.569 -6.58843 TIMING: 2888600 CPU: 9122.53, 0.00315643/step Wall: 9122.53, 0.00315643/step, 1.85125 hours remaining, 234.371094 MB of memory in use. ENERGY: 2888600 3966.0002 20659.0230 14436.6035 243.8385 -203096.9124 2519.8097 0.0000 0.0000 51887.7681 -109383.8694 298.1997 -161271.6376 -109020.2827 298.5658 -143.0298 -109.4192 762709.8373 -13.8000 -13.9407 PRESSURE: 2888800 -122.547 -127.864 188.386 -127.865 38.5907 192.485 188.386 192.484 -197.951 GPRESSURE: 2888800 -45.1058 -93.9781 188.371 -117.69 -47.5092 141.373 160.944 178.202 -114.29 PRESSAVG: 2888800 -95.0112 8.57377 39.719 8.57379 91.5906 17.505 39.719 17.5049 25.263 GPRESSAVG: 2888800 -96.9697 7.29966 41.1363 8.76343 92.8051 18.523 37.8551 15.6946 25.8626 TIMING: 2888800 CPU: 9123.15, 0.00312766/step Wall: 9123.15, 0.00312766/step, 1.8342 hours remaining, 234.371094 MB of memory in use. ENERGY: 2888800 3903.6993 20651.9033 14503.1081 240.4760 -203467.2567 2636.1855 0.0000 0.0000 52092.1763 -109439.7083 299.3745 -161531.8846 -109080.6055 298.7625 -93.9691 -68.9683 761130.3811 7.2808 7.2327 PRESSURE: 2889000 415.676 4.80376 -47.9261 4.80345 228.376 108.045 -47.9265 108.047 521.726 GPRESSURE: 2889000 524.132 43.3507 -25.5288 -26.8033 240.809 32.8798 -10.9738 144.639 496.809 PRESSAVG: 2889000 -20.4071 11.6089 -29.0971 11.6089 -15.4932 72.1338 -29.097 72.1337 4.30485 GPRESSAVG: 2889000 -18.0169 13.0826 -31.0338 10.4387 -17.1465 70.8232 -26.4302 72.6681 3.52174 TIMING: 2889000 CPU: 9123.78, 0.00314273/step Wall: 9123.78, 0.00314273/step, 1.84286 hours remaining, 234.371094 MB of memory in use. ENERGY: 2889000 3964.7564 20520.0936 14542.7606 234.1721 -203859.4464 3061.1123 0.0000 0.0000 51992.8008 -109543.7505 298.8033 -161536.5513 -109188.2835 298.9167 388.5926 420.5834 761018.7757 -10.5318 -10.5472 PRESSURE: 2889200 486.884 -91.4196 196.468 -91.42 65.5709 -50.6365 196.469 -50.6376 -249.303 GPRESSURE: 2889200 471.936 -69.9607 157.666 136.397 120.388 -23.5044 273.023 -140.631 -217.165 PRESSAVG: 2889200 37.1029 53.0003 60.6073 53.0003 -11.3712 -11.3888 60.6073 -11.3887 6.58003 GPRESSAVG: 2889200 36.0896 52.4369 61.0318 54.1129 -10.8463 -10.6926 60.0826 -10.605 6.62576 TIMING: 2889200 CPU: 9124.41, 0.00315418/step Wall: 9124.41, 0.00315418/step, 1.8494 hours remaining, 234.371094 MB of memory in use. ENERGY: 2889200 3896.9434 20482.0463 14547.3717 265.0831 -203356.9566 2601.0050 0.0000 0.0000 52351.0845 -109213.4225 300.8624 -161564.5070 -108841.5040 299.1168 101.0505 125.0527 760932.2374 10.7706 10.6230 PRESSURE: 2889400 -206.164 -0.349144 62.603 -0.348617 87.8602 -143.368 62.6043 -143.369 21.8235 GPRESSURE: 2889400 -274.834 45.3083 25.0184 -18.9188 121.379 -174.371 85.8459 -91.3919 120.086 PRESSAVG: 2889400 -6.66163 61.0496 46.0988 61.0496 -13.5295 4.96888 46.0988 4.96881 14.744 GPRESSAVG: 2889400 -6.85885 59.9609 46.9838 60.1693 -14.8075 4.17959 44.6607 3.183 16.1181 TIMING: 2889400 CPU: 9125.04, 0.00314826/step Wall: 9125.04, 0.00314826/step, 1.84575 hours remaining, 234.359375 MB of memory in use. ENERGY: 2889400 3967.5437 20816.1007 14590.6696 256.8262 -203529.5655 2676.4891 0.0000 0.0000 51964.9698 -109256.9664 298.6434 -161221.9362 -108912.4293 299.4345 -32.1599 -11.1230 762694.0691 -1.8157 -1.8494 PRESSURE: 2889600 281.729 270.257 96.8794 270.257 55.2276 -18.9439 96.8803 -18.944 181.976 GPRESSURE: 2889600 214.563 41.5464 148.06 187.376 157.842 16.5755 115.917 6.2216 208.648 PRESSAVG: 2889600 -5.75984 51.2745 62.4515 51.2745 8.87463 -56.0849 62.4515 -56.0848 -6.52823 GPRESSAVG: 2889600 -6.83127 50.8248 60.7626 50.4807 10.9376 -56.9496 65.1646 -53.6583 -7.39548 TIMING: 2889600 CPU: 9125.67, 0.00316053/step Wall: 9125.67, 0.00316053/step, 1.85277 hours remaining, 234.371094 MB of memory in use. ENERGY: 2889600 4050.5853 20498.2638 14492.4044 247.9250 -203823.7597 2829.6117 0.0000 0.0000 52163.5229 -109541.4467 299.7845 -161704.9695 -109173.0071 299.1528 172.9776 193.6840 762466.5476 -1.1378 -1.0964 PRESSURE: 2889800 178.887 -63.8971 -165.688 -63.8959 162.19 23.1803 -165.688 23.1809 -11.3887 GPRESSURE: 2889800 270.273 72.3197 -253.275 -104.003 150.312 70.7034 -64.635 -41.5052 -15.7453 PRESSAVG: 2889800 -9.65181 37.6876 5.7625 37.6877 -10.1265 2.76565 5.7625 2.76561 -17.1863 GPRESSAVG: 2889800 -8.37457 39.203 5.77943 39.1898 -11.2108 1.9608 5.27163 1.72951 -17.1637 TIMING: 2889800 CPU: 9126.3, 0.00314338/step Wall: 9126.3, 0.00314338/step, 1.84254 hours remaining, 234.371094 MB of memory in use. ENERGY: 2889800 4049.3456 20492.0561 14532.2712 248.9216 -203827.8021 3132.0951 0.0000 0.0000 51930.1505 -109442.9621 298.4433 -161373.1126 -109081.2432 299.5434 109.8962 134.9466 763290.2490 -12.3215 -12.2497 PRESSURE: 2890000 -102.975 90.8257 78.3123 90.8259 -229.25 231.117 78.3125 231.117 -410.385 GPRESSURE: 2890000 -199.714 122.304 102.758 103.962 -114.045 165.82 19.9338 214.45 -357.508 PRESSAVG: 2890000 -10.6583 26.241 -43.4132 26.241 -13.6277 -61.988 -43.4134 -61.9881 -27.9442 GPRESSAVG: 2890000 -11.0452 25.302 -41.4466 26.8244 -13.2431 -58.8517 -45.0415 -62.3552 -27.7891 TIMING: 2890000 CPU: 9126.93, 0.00315044/step Wall: 9126.93, 0.00315044/step, 1.84651 hours remaining, 234.371094 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: 2890000 3911.1251 20534.9358 14527.2733 256.2310 -203415.8519 2534.9928 0.0000 0.0000 52051.7366 -109599.5574 299.1420 -161651.2940 -109235.8114 299.0733 -247.5365 -223.7555 762034.5525 -17.4101 -17.3591 PRESSURE: 2890200 195.357 -161.774 -143.003 -161.775 66.4971 -32.7477 -143.003 -32.7479 268.524 GPRESSURE: 2890200 263.456 -32.5503 -205.169 -49.9035 84.9317 33.0267 -63.304 23.7786 268.119 PRESSAVG: 2890200 -3.55693 12.6656 37.9877 12.6656 33.158 14.405 37.9877 14.4049 16.744 GPRESSAVG: 2890200 -2.18863 14.7996 37.663 11.4663 32.1826 12.9347 38.0026 14.6621 16.0987 TIMING: 2890200 CPU: 9127.56, 0.00313773/step Wall: 9127.56, 0.00313773/step, 1.83888 hours remaining, 234.371094 MB of memory in use. ENERGY: 2890200 4020.3061 20641.4415 14408.4438 229.4821 -203674.1776 2873.2358 0.0000 0.0000 51917.5432 -109583.7250 298.3708 -161501.2682 -109231.2262 298.6774 176.7929 205.5025 761730.6085 15.4484 15.3642 PRESSURE: 2890400 474.718 -21.4746 210.266 -21.4757 204.736 -86.3596 210.266 -86.3611 325.926 GPRESSURE: 2890400 540.619 23.878 150.503 25.0386 180.387 -132.601 117.529 -13.764 373.47 PRESSAVG: 2890400 23.2802 19.2919 50.3414 19.2918 -9.8396 24.3558 50.3414 24.3557 15.7282 GPRESSAVG: 2890400 22.1101 17.3285 51.807 18.1626 -9.40649 23.1996 49.2555 25.7399 15.8951 TIMING: 2890400 CPU: 9128.19, 0.00316271/step Wall: 9128.19, 0.00316271/step, 1.85335 hours remaining, 234.371094 MB of memory in use. ENERGY: 2890400 3931.3587 20483.9574 14457.0445 241.0015 -204086.0596 3173.6941 0.0000 0.0000 52212.7594 -109586.2439 300.0674 -161799.0034 -109207.8044 298.7569 335.1267 364.8253 761961.4351 9.7229 9.5329 PRESSURE: 2890600 -217.634 -41.8576 -147.667 -41.8576 175.059 -204.775 -147.668 -204.774 -432.314 GPRESSURE: 2890600 -153.783 28.7189 -138.716 -4.83974 149.392 -337.589 -123.635 -92.3373 -386.769 PRESSAVG: 2890600 -49.8411 -39.6981 16.4568 -39.698 59.4678 -52.951 16.4568 -52.9509 22.4587 GPRESSAVG: 2890600 -49.0079 -38.7354 15.4493 -38.1087 58.7728 -51.497 14.8209 -53.9397 22.6811 TIMING: 2890600 CPU: 9128.82, 0.00314739/step Wall: 9128.82, 0.00314739/step, 1.84419 hours remaining, 234.371094 MB of memory in use. ENERGY: 2890600 3870.2229 20591.2608 14441.5655 243.9868 -202951.8759 2372.8387 0.0000 0.0000 51828.6623 -109603.3388 297.8600 -161432.0011 -109238.4779 298.7012 -158.2960 -130.3868 762335.6967 10.6952 10.8153 PRESSURE: 2890800 9.29661 54.1796 4.91234 54.1811 261.282 -65.2461 4.91337 -65.2453 -98.5658 GPRESSURE: 2890800 -7.20572 -0.493024 75.0725 64.0902 240.316 -124.482 2.09511 -47.3093 -11.0587 PRESSAVG: 2890800 2.12783 30.5799 12.122 30.5799 23.1409 -40.1222 12.122 -40.1222 36.368 GPRESSAVG: 2890800 1.15164 28.2257 11.8064 30.0724 24.1256 -40.695 15.162 -41.0995 36.5515 TIMING: 2890800 CPU: 9129.45, 0.00315146/step Wall: 9129.45, 0.00315146/step, 1.84641 hours remaining, 234.371094 MB of memory in use. ENERGY: 2890800 4013.1625 20774.8113 14519.2259 249.8057 -203952.2359 2886.7012 0.0000 0.0000 51827.3221 -109681.2071 297.8523 -161508.5293 -109325.4934 298.5173 57.3377 74.0171 759593.4132 20.5456 20.6096 PRESSURE: 2891000 1.4294 -187.743 -99.6107 -187.743 -38.4489 111.35 -99.6095 111.349 92.1056 GPRESSURE: 2891000 -68.7391 -192.217 -91.45 -258.045 -35.1604 118.095 -77.95 166.328 235.146 PRESSAVG: 2891000 -4.57043 -3.2328 -67.3687 -3.2328 12.6286 -58.4506 -67.3687 -58.4505 -5.32087 GPRESSAVG: 2891000 -3.85816 1.0013 -67.7247 -4.28797 12.8163 -58.6618 -69.4532 -55.9091 -6.07145 TIMING: 2891000 CPU: 9130.08, 0.00315452/step Wall: 9130.08, 0.00315452/step, 1.84802 hours remaining, 234.371094 MB of memory in use. ENERGY: 2891000 3958.8315 20445.7683 14554.9188 236.1737 -203365.8105 2505.6578 0.0000 0.0000 51829.6848 -109834.7757 297.8659 -161664.4605 -109471.6301 298.5168 18.3620 43.7489 760302.7169 0.9124 0.9622 PRESSURE: 2891200 -201.813 -67.1662 63.0919 -67.1663 -127.208 31.7084 63.092 31.7081 -546.062 GPRESSURE: 2891200 -145.425 -167.27 121.459 11.4759 -130.444 28.5405 -37.8784 65.1226 -509.694 PRESSAVG: 2891200 -28.6545 -25.9579 -27.7892 -25.9579 42.0072 16.4266 -27.7891 16.4266 1.06861 GPRESSAVG: 2891200 -28.2955 -29.1315 -26.4444 -24.2257 41.169 15.7195 -27.339 13.482 1.34231 TIMING: 2891200 CPU: 9130.71, 0.00313725/step Wall: 9130.71, 0.00313725/step, 1.83773 hours remaining, 234.371094 MB of memory in use. ENERGY: 2891200 3982.6256 20450.6295 14436.7890 233.7827 -203683.9474 2526.2789 0.0000 0.0000 52305.8987 -109747.9429 300.6027 -162053.8416 -109386.8667 298.8665 -291.6947 -261.8544 760337.5700 4.8071 4.7386 PRESSURE: 2891400 107.26 -124.121 148.332 -124.121 187.754 213.111 148.331 213.111 -264.69 GPRESSURE: 2891400 141.938 -254.922 120.491 -110.247 193.705 281.073 113.865 183.355 -234.185 PRESSAVG: 2891400 -25.6128 -29.3246 -66.1515 -29.3247 54.7575 -54.3009 -66.1515 -54.3009 -6.04722 GPRESSAVG: 2891400 -25.4706 -27.4589 -65.8999 -30.9673 54.2819 -52.8384 -65.567 -53.0559 -5.98875 TIMING: 2891400 CPU: 9131.34, 0.00315154/step Wall: 9131.34, 0.00315154/step, 1.84593 hours remaining, 234.371094 MB of memory in use. ENERGY: 2891400 3958.2683 20521.1355 14453.4116 250.9656 -203583.3403 2627.7158 0.0000 0.0000 52069.4263 -109702.4172 299.2437 -161771.8435 -109320.7977 299.2376 10.1081 33.8194 761124.4358 7.6992 7.6075 PRESSURE: 2891600 30.4849 -69.2323 212.525 -69.2326 27.4772 130.495 212.524 130.494 -75.6334 GPRESSURE: 2891600 8.35784 -94.8244 234.065 -166.713 143.604 268.67 149.335 89.0176 -103.106 PRESSAVG: 2891600 -46.4308 -25.7239 12.03 -25.7239 42.8498 -16.8173 12.03 -16.8173 14.8705 GPRESSAVG: 2891600 -47.1149 -27.4721 13.4136 -24.5554 43.8468 -17.8396 10.0598 -16.186 14.6865 TIMING: 2891600 CPU: 9131.97, 0.00314192/step Wall: 9131.97, 0.00314192/step, 1.84012 hours remaining, 234.371094 MB of memory in use. ENERGY: 2891600 4023.1272 20511.1564 14509.1647 219.8526 -203424.2481 2536.0946 0.0000 0.0000 52077.0355 -109547.8171 299.2874 -161624.8525 -109171.5023 299.1369 -5.8904 16.2851 760514.0879 3.7632 3.8061 PRESSURE: 2891800 -37.245 -123.659 -168.722 -123.658 -302.812 -102.841 -168.722 -102.841 -439.096 GPRESSURE: 2891800 -41.0222 178.938 -140.475 -51.7231 -191.269 -103.63 -168.253 -99.4935 -456.371 PRESSAVG: 2891800 24.3602 -25.0255 33.3914 -25.0254 20.1358 -30.7327 33.3914 -30.7327 -6.98114 GPRESSAVG: 2891800 24.4952 -25.5828 31.8598 -23.1005 19.0822 -32.3899 36.2311 -30.6907 -6.57839 TIMING: 2891800 CPU: 9132.6, 0.00313239/step Wall: 9132.6, 0.00313239/step, 1.83436 hours remaining, 234.359375 MB of memory in use. ENERGY: 2891800 4002.4345 20581.4145 14416.5369 229.1523 -202944.3839 2222.0344 0.0000 0.0000 51961.3133 -109531.4981 298.6224 -161492.8114 -109172.2940 299.1073 -259.7176 -229.5542 761519.9193 12.5049 12.3330 PRESSURE: 2892000 -62.681 75.8541 -128.179 75.8537 0.659647 -101.009 -128.179 -101.009 -171.836 GPRESSURE: 2892000 -35.5173 6.18293 -214.61 108.503 -21.3831 -44.1564 0.308531 -46.7278 -88.1342 PRESSAVG: 2892000 -34.5047 -27.0994 -41.934 -27.0993 47.4456 -47.0423 -41.934 -47.0422 26.3088 GPRESSAVG: 2892000 -34.2742 -24.1562 -42.2119 -28.9736 47.5178 -45.3223 -44.668 -47.5689 26.4381 TIMING: 2892000 CPU: 9133.23, 0.00314523/step Wall: 9133.23, 0.00314523/step, 1.84171 hours remaining, 234.359375 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: 2892000 3980.6469 20613.3298 14376.2614 235.6081 -203626.3814 2852.5989 0.0000 0.0000 52046.6261 -109521.3103 299.1127 -161567.9364 -109171.9820 298.6370 -77.9524 -48.3449 761393.9677 13.0833 13.2272 PRESSURE: 2892200 -152.334 418.565 -151.007 418.565 -300.605 -204.784 -151.009 -204.784 179.771 GPRESSURE: 2892200 -142.202 272.422 -96.392 416.473 -184.083 -245.882 -133.508 -153.991 151.231 PRESSAVG: 2892200 -11.6577 60.924 -2.84682 60.924 14.9542 -51.4067 -2.84681 -51.4068 1.92849 GPRESSAVG: 2892200 -11.6881 59.6163 -0.934475 59.1417 16.1689 -53.3051 0.392771 -51.0339 1.5684 TIMING: 2892200 CPU: 9133.85, 0.00314852/step Wall: 9133.85, 0.00314852/step, 1.84346 hours remaining, 234.359375 MB of memory in use. ENERGY: 2892200 3956.8238 20503.9242 14433.9847 249.3723 -203255.5311 2618.4424 0.0000 0.0000 51994.8652 -109498.1185 298.8152 -161492.9837 -109132.4193 299.1917 -91.0557 -58.3511 760662.1817 1.7417 2.0164 LDB: ============= START OF LOAD BALANCING ============== 9146.39 LDB: ============== END OF LOAD BALANCING =============== 9146.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9146.39 LDB: ============= START OF LOAD BALANCING ============== 9146.71 LDB: Largest compute 7026 load 0.031821 is 16.3% of average load 0.195494 LDB: Average compute 0.004385 is 2.2% of average load 0.195494 LDB: TIME 9146.71 LOAD: AVG 0.195494 MAX 0.216787 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.031 MB LDB: TIME 9146.71 LOAD: AVG 0.195494 MAX 0.216787 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.031 MB LDB: TIME 9146.71 LOAD: AVG 0.195494 MAX 0.216787 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.031 MB LDB: ============== END OF LOAD BALANCING =============== 9146.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9146.72 PRESSURE: 2892400 -40.095 -164.337 -31.9076 -164.337 -144.82 -192.405 -31.9075 -192.406 -85.763 GPRESSURE: 2892400 -4.46387 -157.348 -28.1795 -233.349 -160.645 -147.095 16.5044 -179.238 -31.7412 PRESSAVG: 2892400 -2.7286 51.1468 10.9472 51.1468 9.71375 -28.1561 10.9473 -28.1562 14.5265 GPRESSAVG: 2892400 -3.97654 50.2657 9.96742 54.2804 10.2596 -26.3609 8.41838 -30.3254 15.3637 TIMING: 2892400 CPU: 9134.5, 0.00322172/step Wall: 9134.5, 0.00322172/step, 1.88614 hours remaining, 234.167969 MB of memory in use. ENERGY: 2892400 3986.0694 20672.6330 14472.8863 249.1834 -203391.8143 2465.7181 0.0000 0.0000 52176.8879 -109368.4362 299.8613 -161545.3241 -109013.1407 299.3263 -90.2260 -65.6166 759926.7404 7.1705 7.2156 PRESSURE: 2892600 -495.954 -238.57 248.73 -238.571 -239.417 200.479 248.729 200.479 143.106 GPRESSURE: 2892600 -475.845 -192.02 341.923 -171.777 -148.131 57.8135 49.8481 222.872 104.721 PRESSAVG: 2892600 -2.38593 9.14632 29.8939 9.14631 -19.3967 15.5636 29.8938 15.5637 1.01482 GPRESSAVG: 2892600 -1.54407 9.85073 30.6884 10.197 -19.2789 14.4948 29.1807 16.3204 0.350436 TIMING: 2892600 CPU: 9135.13, 0.0031513/step Wall: 9135.13, 0.0031513/step, 1.84473 hours remaining, 234.429688 MB of memory in use. ENERGY: 2892600 4114.9729 20443.9212 14436.9903 239.1107 -203210.0882 2664.9529 0.0000 0.0000 51920.9590 -109389.1813 298.3905 -161310.1403 -109026.2104 299.4921 -197.4218 -173.0850 760647.8837 -6.9226 -6.8242 PRESSURE: 2892800 352.032 -195.667 155.736 -195.667 -174.621 103.688 155.735 103.688 -173.154 GPRESSURE: 2892800 268.798 -160.484 203.782 -181.861 -50.4229 89.4577 259.966 58.52 -103.685 PRESSAVG: 2892800 -10.9044 -10.6517 37.4386 -10.6517 -12.1819 -43.1733 37.4386 -43.1732 3.70713 GPRESSAVG: 2892800 -10.5079 -10.0633 35.6046 -11.7697 -12.1034 -42.9201 38.7744 -41.7359 3.60054 TIMING: 2892800 CPU: 9135.76, 0.00315063/step Wall: 9135.76, 0.00315063/step, 1.84417 hours remaining, 234.429688 MB of memory in use. ENERGY: 2892800 3979.4172 20643.4016 14437.6446 266.1103 -203426.0193 2711.2173 0.0000 0.0000 51886.1792 -109502.0492 298.1906 -161388.2284 -109152.0692 299.2151 1.4188 38.2302 762114.5475 -6.4597 -6.3369 PRESSURE: 2893000 22.6256 24.1909 43.4457 24.1907 -383.21 -98.5121 43.445 -98.5127 -269.327 GPRESSURE: 2893000 53.0659 17.3929 41.1778 28.6912 -326.609 -124.556 71.4793 -100.372 -262.82 PRESSAVG: 2893000 34.484 -6.49442 28.8429 -6.49442 -12.6226 -47.3078 28.8429 -47.3078 -5.05173 GPRESSAVG: 2893000 34.5107 -6.34521 29.1365 -6.33204 -13.0986 -49.0972 28.4486 -47.176 -4.73154 TIMING: 2893000 CPU: 9136.39, 0.00314865/step Wall: 9136.39, 0.00314865/step, 1.84283 hours remaining, 234.429688 MB of memory in use. ENERGY: 2893000 4030.8900 20354.9476 14450.3049 236.2282 -203250.4941 2375.3591 0.0000 0.0000 52181.8292 -109620.9350 299.8897 -161802.7642 -109259.5170 298.7104 -209.9706 -178.7876 759991.9962 5.6032 5.5602 PRESSURE: 2893200 -261.216 -32.0065 219.216 -32.0068 -106.133 61.676 219.215 61.6746 16.5507 GPRESSURE: 2893200 -169.944 -108.588 259.427 -156.449 -153.013 44.3834 154.575 28.6462 34.1895 PRESSAVG: 2893200 53.692 10.0939 57.8403 10.0939 -35.2779 -26.2337 57.8403 -26.2337 13.9057 GPRESSAVG: 2893200 53.7406 10.8181 58.5776 6.50909 -35.8892 -25.5165 57.9094 -26.3464 14.0711 TIMING: 2893200 CPU: 9137.02, 0.00314885/step Wall: 9137.02, 0.00314885/step, 1.84278 hours remaining, 234.429688 MB of memory in use. ENERGY: 2893200 4052.8993 20542.9522 14424.4370 235.4523 -203485.7405 2860.4863 0.0000 0.0000 51815.7782 -109553.7353 297.7860 -161369.5135 -109190.0849 299.2127 -116.9328 -96.2557 762201.7986 10.7733 10.6408 PRESSURE: 2893400 -239.726 -12.1517 -186.99 -12.1521 -234.045 -170.44 -186.991 -170.44 -438.326 GPRESSURE: 2893400 -195.616 -78.4608 -134.982 -4.57751 -237.166 -184.36 -179.649 -107.29 -408.711 PRESSAVG: 2893400 -15.4897 2.56815 59.5085 2.56816 34.8592 -4.49391 59.5085 -4.49388 -6.52288 GPRESSAVG: 2893400 -15.7177 1.42042 58.5927 4.33579 34.9035 -4.90027 60.3044 -5.44178 -6.09005 TIMING: 2893400 CPU: 9137.65, 0.00314647/step Wall: 9137.65, 0.00314647/step, 1.84121 hours remaining, 234.496094 MB of memory in use. ENERGY: 2893400 3972.0550 20507.6046 14432.0903 272.4550 -203015.2183 2351.2023 0.0000 0.0000 51880.5888 -109599.2223 298.1585 -161479.8111 -109240.9559 299.0339 -304.0324 -280.4977 761163.2717 4.2822 4.3653 PRESSURE: 2893600 -213.448 174.901 -33.4888 174.901 -300.77 -27.9081 -33.4883 -27.9088 -167.149 GPRESSURE: 2893600 -191.128 50.0558 -45.3951 114.577 -230.884 -29.9763 -71.3309 52.5996 -175.938 PRESSAVG: 2893600 -39.9532 -21.9008 -5.46762 -21.9008 42.9832 -46.3925 -5.46765 -46.3926 -9.4625 GPRESSAVG: 2893600 -39.2598 -23.0444 -4.19958 -22.8643 42.6321 -44.9163 -7.27398 -47.0941 -9.51988 TIMING: 2893600 CPU: 9138.28, 0.00317567/step Wall: 9138.28, 0.00317567/step, 1.85812 hours remaining, 234.496094 MB of memory in use. ENERGY: 2893600 3972.8286 20270.3142 14469.9683 246.0544 -203083.7909 2603.9825 0.0000 0.0000 51854.1602 -109666.4827 298.0066 -161520.6429 -109315.4266 298.8607 -227.1224 -199.3165 762012.9802 -2.1442 -2.0492 PRESSURE: 2893800 -88.7433 -14.1492 227.171 -14.1482 169.653 103.046 227.172 103.045 485.241 GPRESSURE: 2893800 -74.3261 4.1941 108.969 23.137 177.764 57.3001 215.905 26.5901 533.538 PRESSAVG: 2893800 -47.9291 -54.5455 24.6417 -54.5455 16.8999 -57.0031 24.6417 -57.0031 -26.703 GPRESSAVG: 2893800 -48.2022 -53.3836 24.8766 -51.8887 17.1677 -54.8563 22.4884 -57.4193 -26.942 TIMING: 2893800 CPU: 9138.92, 0.00316789/step Wall: 9138.92, 0.00316789/step, 1.85339 hours remaining, 234.496094 MB of memory in use. ENERGY: 2893800 4017.0065 20505.4033 14525.0822 233.4398 -203809.8202 2969.1654 0.0000 0.0000 51961.1152 -109598.6078 298.6212 -161559.7230 -109235.9321 299.2333 188.7169 212.3253 759173.0621 -19.2441 -19.3255 PRESSURE: 2894000 -205.393 -167.063 85.4046 -167.063 -252.431 -72.747 85.404 -72.7477 174.157 GPRESSURE: 2894000 -206.785 -102.188 121.6 -212.407 -184.063 -59.8141 -27.1547 -87.339 193.356 PRESSAVG: 2894000 -6.79584 -26.3411 19.8045 -26.3411 8.35502 -29.1464 19.8045 -29.1465 5.31964 GPRESSAVG: 2894000 -6.15413 -25.8691 18.9088 -28.0081 7.97515 -32.9554 22.3956 -27.4109 5.34038 TIMING: 2894000 CPU: 9139.55, 0.00314113/step Wall: 9139.55, 0.00314113/step, 1.83756 hours remaining, 234.496094 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: 2894000 3989.1619 20363.0769 14467.7222 233.5068 -203154.6237 2332.8929 0.0000 0.0000 52112.6223 -109655.6406 299.4920 -161768.2629 -109283.9942 298.7117 -94.5557 -65.8307 759838.1012 2.2929 2.3871 PRESSURE: 2894200 110.526 -46.0334 -55.7272 -46.0336 -188.63 438.54 -55.7278 438.54 351.917 GPRESSURE: 2894200 173.379 -2.23228 -7.10096 -74.1574 -107.972 425.336 27.2701 547.973 298.031 PRESSAVG: 2894200 17.324 6.43198 37.3139 6.43196 -11.8639 44.7194 37.3139 44.7193 -2.26418 GPRESSAVG: 2894200 17.0085 6.33473 37.0339 5.55054 -11.2959 46.7097 37.8176 44.0867 -2.72471 TIMING: 2894200 CPU: 9140.17, 0.00313968/step Wall: 9140.17, 0.00313968/step, 1.83654 hours remaining, 234.496094 MB of memory in use. ENERGY: 2894200 3987.8547 20559.1886 14406.5501 254.4845 -203011.7188 2215.1938 0.0000 0.0000 51981.5615 -109606.8856 298.7387 -161588.4471 -109252.5735 298.7420 91.2708 121.1461 759574.1514 1.0653 0.9960 PRESSURE: 2894400 -157.123 108.325 -125.509 108.325 -219.146 110.124 -125.509 110.124 -159.089 GPRESSURE: 2894400 -78.4236 140.865 -89.7383 99.8316 -238.141 77.4838 -36.4037 25.0742 -154.961 PRESSAVG: 2894400 19.6479 9.95103 -30.1342 9.95104 -6.97677 -32.1905 -30.1342 -32.1905 0.705526 GPRESSAVG: 2894400 19.8595 8.3029 -29.0749 10.0527 -7.5381 -33.1556 -30.1736 -33.036 0.943562 TIMING: 2894400 CPU: 9140.8, 0.00315076/step Wall: 9140.8, 0.00315076/step, 1.84284 hours remaining, 234.496094 MB of memory in use. ENERGY: 2894400 3960.1164 20377.2016 14394.4612 248.7074 -203335.0977 2605.8697 0.0000 0.0000 51826.0542 -109922.6872 297.8450 -161748.7414 -109563.4712 298.4392 -178.4523 -157.1753 761177.4026 4.4589 4.4216 PRESSURE: 2894600 -145.809 119.872 -118.415 119.872 -84.8374 -260.499 -118.415 -260.498 257.424 GPRESSURE: 2894600 -155.02 153.3 -182.237 171.205 -79.4332 -241.925 -98.5206 -216.565 349.755 PRESSAVG: 2894600 5.74293 11.3152 -20.0339 11.3152 -20.5792 7.57584 -20.0339 7.57587 22.2719 GPRESSAVG: 2894600 5.33395 12.9516 -20.3926 11.3869 -20.0365 7.91338 -20.3226 8.96482 21.9059 TIMING: 2894600 CPU: 9141.43, 0.00315357/step Wall: 9141.43, 0.00315357/step, 1.84431 hours remaining, 234.496094 MB of memory in use. ENERGY: 2894600 3998.6936 20565.0854 14381.8831 242.3307 -203754.3300 2793.6129 0.0000 0.0000 51884.1219 -109888.6024 298.1788 -161772.7243 -109536.1635 297.7512 8.9257 38.4339 760952.7583 2.4785 2.4011 PRESSURE: 2894800 -48.2212 6.68446 208.609 6.68449 20.7583 88.1825 208.609 88.1814 81.8126 GPRESSURE: 2894800 -19.6691 89.5842 165.775 17.0094 29.1078 82.2732 135.81 -42.4883 131.08 PRESSAVG: 2894800 -46.7033 30.3624 37.3645 30.3624 51.5349 -7.56835 37.3646 -7.56831 7.54272 GPRESSAVG: 2894800 -46.9449 30.3604 37.572 29.1364 50.346 -5.88204 37.6626 -8.20149 9.00618 TIMING: 2894800 CPU: 9142.07, 0.00316849/step Wall: 9142.07, 0.00316849/step, 1.85286 hours remaining, 234.496094 MB of memory in use. ENERGY: 2894800 3899.5263 20525.7917 14406.5712 231.3937 -203575.7352 2883.2007 0.0000 0.0000 51850.1849 -109779.0667 297.9837 -161629.2515 -109413.3640 298.4057 18.1166 46.8395 762295.8382 4.1248 4.1358 PRESSURE: 2895000 -432.095 76.3936 -84.1297 76.3933 -49.0445 -2.19815 -84.1297 -2.19812 -169.999 GPRESSURE: 2895000 -395.493 -19.6733 -11.2938 -22.4229 45.6903 -77.8691 -153.769 43.5359 -211.897 PRESSAVG: 2895000 -64.0996 -56.3045 -31.4988 -56.3045 67.9699 -20.227 -31.4989 -20.227 -14.4486 GPRESSAVG: 2895000 -61.8898 -56.2198 -32.801 -55.275 67.1915 -20.3178 -31.0337 -20.8093 -15.5057 TIMING: 2895000 CPU: 9142.7, 0.00317099/step Wall: 9142.7, 0.00317099/step, 1.85415 hours remaining, 234.496094 MB of memory in use. ENERGY: 2895000 4007.9413 20395.7675 14502.4059 253.5593 -203628.1268 2577.0810 0.0000 0.0000 52112.6281 -109778.7436 299.4920 -161891.3717 -109407.1477 298.2492 -217.0462 -187.2331 761418.4682 -3.5261 -3.4013 PRESSURE: 2895200 48.8365 23.5856 -243.226 23.5853 303.152 -202.083 -243.226 -202.085 -401.76 GPRESSURE: 2895200 60.3779 4.37816 -244.817 52.1986 322.96 -128.22 -41.4891 -129.405 -345.507 PRESSAVG: 2895200 -59.3888 21.1439 -55.8694 21.1438 30.3898 -19.5451 -55.8694 -19.5451 -13.2656 GPRESSAVG: 2895200 -61.7059 20.9964 -54.8492 21.3633 31.9299 -20.9895 -55.597 -18.9988 -12.5652 TIMING: 2895200 CPU: 9143.33, 0.00316308/step Wall: 9143.33, 0.00316308/step, 1.84935 hours remaining, 234.496094 MB of memory in use. ENERGY: 2895200 3968.4800 20630.7649 14451.8555 232.4242 -203839.3806 2804.5984 0.0000 0.0000 51845.9976 -109905.2598 297.9597 -161751.2574 -109547.2192 298.1429 -16.5905 12.6104 762222.4749 -14.0882 -14.1137 PRESSURE: 2895400 -440.211 -188.868 -233.96 -188.868 -177.404 -13.2534 -233.96 -13.2535 71.4039 GPRESSURE: 2895400 -406.55 -297.998 -251.953 -38.1628 -67.7839 -14.3184 -284.407 46.0062 2.84815 PRESSAVG: 2895400 -31.6268 -9.65578 -38.1851 -9.65576 55.335 -30.2094 -38.185 -30.2095 16.9958 GPRESSAVG: 2895400 -31.7268 -10.2663 -37.712 -11.2754 55.26 -29.9843 -39.3932 -29.8036 16.926 TIMING: 2895400 CPU: 9143.96, 0.00313802/step Wall: 9143.96, 0.00313802/step, 1.83452 hours remaining, 234.496094 MB of memory in use. ENERGY: 2895400 4011.7570 20558.3848 14503.4508 246.1081 -203517.2434 2330.8600 0.0000 0.0000 52002.6387 -109864.0440 298.8599 -161866.6827 -109497.3909 298.3088 -182.0704 -157.1620 762316.2731 13.5680 13.4864 PRESSURE: 2895600 -317.144 16.9819 84.2458 16.9821 -69.782 142.831 84.2466 142.828 -232.476 GPRESSURE: 2895600 -220.971 -84.4965 33.6845 36.3017 -55.705 92.4877 28.8041 168.228 -252.788 PRESSAVG: 2895600 -7.64361 -15.2992 -42.635 -15.2992 33.4401 -6.07805 -42.6351 -6.07804 17.8567 GPRESSAVG: 2895600 -7.68024 -17.0115 -43.8794 -12.5851 33.4362 -5.1805 -41.7381 -5.91294 18.0372 TIMING: 2895600 CPU: 9144.6, 0.00316468/step Wall: 9144.6, 0.00316468/step, 1.84993 hours remaining, 234.496094 MB of memory in use. ENERGY: 2895600 4099.6150 20473.2716 14431.8632 235.0412 -204007.6079 2874.3855 0.0000 0.0000 52089.1247 -109804.3069 299.3569 -161893.4315 -109439.9835 297.8865 -206.4672 -176.4880 763169.4133 14.5511 14.5977 PRESSURE: 2895800 -219.383 -116.513 158.621 -116.513 219.119 44.8716 158.621 44.8713 -129.974 GPRESSURE: 2895800 -162.42 -203.542 172.804 -162.573 195.531 76.2813 12.5272 61.4182 -83.3226 PRESSAVG: 2895800 -77.6487 -35.316 -30.2469 -35.3161 71.3545 -56.0296 -30.2469 -56.0296 38.2609 GPRESSAVG: 2895800 -77.1004 -34.8127 -30.4829 -37.568 72.2066 -56.6845 -30.8631 -57.6141 36.7517 TIMING: 2895800 CPU: 9145.23, 0.00315377/step Wall: 9145.23, 0.00315377/step, 1.84338 hours remaining, 234.496094 MB of memory in use. ENERGY: 2895800 3927.9778 20599.8824 14473.8302 246.3791 -203872.9404 2720.8338 0.0000 0.0000 51957.2550 -109946.7821 298.5991 -161904.0371 -109583.4860 297.8462 -43.4129 -16.7374 762727.9439 10.6556 10.6193 PRESSURE: 2896000 512.554 -14.7519 -71.1071 -14.7522 53.7759 -65.0362 -71.1066 -65.0363 -20.9685 GPRESSURE: 2896000 492.636 -70.3844 -73.4238 2.52785 134.484 -64.4946 12.6532 -103.2 -13.7974 PRESSAVG: 2896000 -23.4758 -41.3101 -67.837 -41.3101 51.4339 -60.2571 -67.837 -60.2571 8.8829 GPRESSAVG: 2896000 -23.8249 -40.6962 -67.0596 -37.9833 51.322 -60.2858 -67.2645 -60.0029 9.25806 TIMING: 2896000 CPU: 9145.86, 0.00315916/step Wall: 9145.86, 0.00315916/step, 1.84635 hours remaining, 234.496094 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: 2896000 3975.7098 20495.3837 14512.0270 227.4816 -203636.8924 2725.7510 0.0000 0.0000 52090.6719 -109609.8674 299.3658 -161700.5393 -109256.6905 298.6239 181.7873 204.4410 760832.7753 12.2804 12.2517 PRESSURE: 2896200 -268.256 -363.058 -1.68384 -363.058 312.786 -368.55 -1.68318 -368.549 -332.406 GPRESSURE: 2896200 -165.381 -255.441 35.2718 -439.03 161.699 -341.758 -82.7865 -346.297 -200.858 PRESSAVG: 2896200 -74.7273 -62.2151 38.6187 -62.2151 95.3116 -14.9542 38.6187 -14.9543 1.657 GPRESSAVG: 2896200 -73.9828 -59.7532 38.2524 -67.341 93.7368 -15.945 38.9404 -13.819 2.66412 TIMING: 2896200 CPU: 9146.49, 0.00315115/step Wall: 9146.49, 0.00315115/step, 1.8415 hours remaining, 234.496094 MB of memory in use. ENERGY: 2896200 4026.4253 20459.8876 14415.0376 260.7430 -203431.6168 2581.9485 0.0000 0.0000 52051.4893 -109636.0854 299.1406 -161687.5747 -109274.6752 298.5284 -95.9586 -68.1801 763823.0967 7.4138 7.4727 LDB: ============= START OF LOAD BALANCING ============== 9159.02 LDB: ============== END OF LOAD BALANCING =============== 9159.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9159.02 LDB: ============= START OF LOAD BALANCING ============== 9159.34 LDB: Largest compute 7070 load 0.032440 is 16.6% of average load 0.195483 LDB: Average compute 0.004394 is 2.2% of average load 0.195483 LDB: TIME 9159.34 LOAD: AVG 0.195483 MAX 0.212664 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 9159.34 LOAD: AVG 0.195483 MAX 0.212664 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 9159.34 LOAD: AVG 0.195483 MAX 0.212664 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: ============== END OF LOAD BALANCING =============== 9159.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9159.35 PRESSURE: 2896400 342.736 21.4495 -106.955 21.4507 14.3346 -193.439 -106.955 -193.439 -353.079 GPRESSURE: 2896400 283.026 68.8327 -117.779 60.5019 137.087 -150.574 -127.553 -317.983 -314.445 PRESSAVG: 2896400 -71.0292 -15.6844 7.4278 -15.6843 55.4118 -70.6562 7.4277 -70.6563 -10.2975 GPRESSAVG: 2896400 -72.8786 -17.0919 6.98651 -12.6148 57.7974 -69.1704 8.46751 -71.0127 -11.1315 TIMING: 2896400 CPU: 9147.13, 0.00321471/step Wall: 9147.13, 0.00321471/step, 1.87846 hours remaining, 235.906250 MB of memory in use. ENERGY: 2896400 3950.1182 20428.9116 14442.3126 238.8876 -203482.9968 2893.7282 0.0000 0.0000 52086.8911 -109442.1476 299.3441 -161529.0387 -109074.7252 298.6286 1.3307 35.2228 762099.7460 -8.6383 -8.7376 PRESSURE: 2896600 -200.614 75.7097 122.421 75.7097 284.622 -72.672 122.42 -72.671 -120.635 GPRESSURE: 2896600 -123.327 21.5509 55.1514 -36.3507 200.357 -117.571 145.143 17.994 -2.11908 PRESSAVG: 2896600 -53.2777 -25.3678 -22.1189 -25.3678 65.9988 -91.2142 -22.119 -91.2141 6.59367 GPRESSAVG: 2896600 -52.6815 -26.5231 -22.4931 -25.027 64.9072 -91.3129 -23.2332 -91.5922 7.349 TIMING: 2896600 CPU: 9147.76, 0.00314559/step Wall: 9147.76, 0.00314559/step, 1.8379 hours remaining, 236.109375 MB of memory in use. ENERGY: 2896600 3981.3164 20493.3851 14490.5651 247.8944 -203726.3836 2877.4924 0.0000 0.0000 52081.2795 -109554.4507 299.3118 -161635.7303 -109192.4573 298.9142 -12.2088 24.9700 761212.0971 6.4382 6.5249 PRESSURE: 2896800 242.273 16.476 45.7666 16.4764 199.563 102.004 45.7666 102.003 -12.0829 GPRESSURE: 2896800 293.828 -157.856 -21.7894 -3.24052 209.997 125.498 112.219 -42.9627 -11.9623 PRESSAVG: 2896800 -29.4246 14.3879 72.4673 14.3878 48.9331 -23.5495 72.4672 -23.5495 -0.618408 GPRESSAVG: 2896800 -27.8324 15.5772 72.9697 13.7752 47.5259 -22.5484 73.0708 -24.4306 -0.915588 TIMING: 2896800 CPU: 9148.4, 0.00318465/step Wall: 9148.4, 0.00318465/step, 1.86054 hours remaining, 236.312500 MB of memory in use. ENERGY: 2896800 4018.3032 20619.6320 14469.3606 251.8991 -203178.1702 2558.0239 0.0000 0.0000 51977.4598 -109283.4916 298.7152 -161260.9514 -108928.9432 299.2224 143.2510 163.9542 760961.8689 6.2967 6.2593 PRESSURE: 2897000 -126.761 -359.525 -131.324 -359.525 120.895 -58.8236 -131.323 -58.8238 295.139 GPRESSURE: 2897000 -70.228 -276.058 -142.008 -306.09 146.461 -27.2713 -14.3773 1.72442 294.243 PRESSAVG: 2897000 -5.46843 -13.0687 -1.44535 -13.0687 55.0208 -18.8345 -1.44534 -18.8346 -28.6862 GPRESSAVG: 2897000 -6.07371 -13.8148 -1.76037 -14.1956 56.4248 -19.452 -1.14174 -17.5741 -29.2205 TIMING: 2897000 CPU: 9149.03, 0.0031581/step Wall: 9149.03, 0.0031581/step, 1.84486 hours remaining, 236.312500 MB of memory in use. ENERGY: 2897000 4017.3935 20567.0276 14502.8838 259.0770 -203464.5297 2807.0078 0.0000 0.0000 52052.8997 -109258.2403 299.1487 -161311.1400 -108894.0737 299.7154 96.4244 123.4920 762036.3583 6.9554 7.0435 PRESSURE: 2897200 334.699 9.0114 158.26 9.01191 -27.7317 23.4615 158.26 23.4622 172.692 GPRESSURE: 2897200 317.536 79.5283 184.298 -3.95943 37.65 -60.8052 171.612 153.501 203.9 PRESSAVG: 2897200 49.2254 -22.9153 -13.3832 -22.9153 -54.0936 5.23105 -13.3832 5.23106 -9.55993 GPRESSAVG: 2897200 48.8943 -21.9486 -13.4467 -22.8653 -53.293 4.76939 -14.0725 6.40306 -9.55008 TIMING: 2897200 CPU: 9149.66, 0.00315053/step Wall: 9149.66, 0.00315053/step, 1.84026 hours remaining, 236.312500 MB of memory in use. ENERGY: 2897200 4043.4583 20477.6512 14507.9985 252.2861 -203958.1853 3047.8481 0.0000 0.0000 52191.4862 -109437.4569 299.9452 -161628.9431 -109082.7682 299.5025 159.8862 186.3622 762183.3099 -4.8094 -4.6496 PRESSURE: 2897400 16.5434 124.969 109.446 124.97 139.626 35.6098 109.445 35.6088 131.266 GPRESSURE: 2897400 121.29 47.7869 28.1837 -42.3344 187.725 14.7853 -50.7258 136.086 74.9896 PRESSAVG: 2897400 26.4058 -58.7458 -4.91446 -58.7459 -14.258 39.1844 -4.91448 39.1844 5.6235 GPRESSAVG: 2897400 27.3064 -57.9752 -4.56009 -58.69 -14.8662 37.9665 -4.35931 39.7144 5.88583 TIMING: 2897400 CPU: 9150.29, 0.00315602/step Wall: 9150.29, 0.00315602/step, 1.84329 hours remaining, 236.582031 MB of memory in use. ENERGY: 2897400 3984.2744 20527.1607 14520.0806 250.1756 -203892.3429 2955.8804 0.0000 0.0000 52313.7931 -109340.9781 300.6481 -161654.7712 -108981.2064 299.1151 95.8118 128.0016 761216.1301 5.9238 6.1087 PRESSURE: 2897600 224.631 -8.18135 -0.456153 -8.18195 259.961 -29.8848 -0.456174 -29.8848 -525.172 GPRESSURE: 2897600 220.528 15.4073 27.3451 117.566 265.094 -55.5574 164.053 -57.7268 -456.614 PRESSAVG: 2897600 -43.767 -56.6363 3.17759 -56.6362 75.3538 27.9349 3.1776 27.9349 21.4197 GPRESSAVG: 2897600 -43.4908 -56.4962 2.7213 -56.3288 74.9595 28.7424 1.61581 27.5631 21.4658 TIMING: 2897600 CPU: 9150.92, 0.00316641/step Wall: 9150.92, 0.00316641/step, 1.84918 hours remaining, 236.582031 MB of memory in use. ENERGY: 2897600 4071.3771 20406.8526 14528.2213 242.1967 -203775.9541 2962.6665 0.0000 0.0000 52273.8805 -109290.7594 300.4187 -161564.6399 -108929.4046 299.7183 -13.5266 9.6692 759499.8742 17.6689 17.6448 PRESSURE: 2897800 -27.8084 40.4726 -50.1892 40.4726 -140.122 366.486 -50.1885 366.486 -238.338 GPRESSURE: 2897800 -32.8743 -73.6977 -29.9688 16.122 -129.647 415.243 -147.116 247.861 -153.345 PRESSAVG: 2897800 -6.9028 2.86076 -10.9385 2.86076 12.2431 -5.59273 -10.9384 -5.59273 -5.69355 GPRESSAVG: 2897800 -7.36031 1.97392 -10.4488 2.84915 12.2065 -5.79673 -8.09879 -6.60362 -4.70917 TIMING: 2897800 CPU: 9151.55, 0.00314465/step Wall: 9151.55, 0.00314465/step, 1.8363 hours remaining, 236.582031 MB of memory in use. ENERGY: 2897800 4104.0943 20519.5211 14528.4906 239.9941 -203531.3462 2677.2911 0.0000 0.0000 52007.3921 -109454.5628 298.8872 -161461.9549 -109097.9144 299.2859 -135.4227 -105.2886 760524.2756 -0.1177 0.0457 PRESSURE: 2898000 -80.7358 59.0778 -93.9502 59.0775 -135.369 -8.09863 -93.9495 -8.09841 84.203 GPRESSURE: 2898000 -38.4215 38.8463 -113.709 43.1814 -74.9071 17.693 -192.698 -37.0943 75.121 PRESSAVG: 2898000 1.18144 -9.43897 -18.325 -9.43896 48.7028 2.01955 -18.325 2.01961 -4.47319 GPRESSAVG: 2898000 0.92036 -10.4793 -17.9577 -8.37822 50.0314 1.96381 -21.4347 2.44435 -5.27754 TIMING: 2898000 CPU: 9152.19, 0.00317197/step Wall: 9152.19, 0.00317197/step, 1.85208 hours remaining, 236.582031 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: 2898000 3957.2299 20485.9561 14470.4931 238.7779 -203050.3215 2302.8461 0.0000 0.0000 52211.4393 -109383.5792 300.0599 -161595.0184 -109032.6415 299.4947 -43.9672 -12.7358 762916.3645 15.1370 15.2248 PRESSURE: 2898200 210.026 175.138 -117.407 175.137 434.814 -14.5144 -117.408 -14.5149 22.338 GPRESSURE: 2898200 276.847 20.1874 -139.316 184.096 478.366 -10.7403 -150.695 17.0365 13.4719 PRESSAVG: 2898200 -30.9474 -18.2705 -16.3694 -18.2706 15.9863 -11.8332 -16.3695 -11.8333 -1.16817 GPRESSAVG: 2898200 -31.2601 -16.9956 -17.29 -19.406 15.367 -12.0241 -15.5574 -13.0758 -0.564128 TIMING: 2898200 CPU: 9152.82, 0.0031656/step Wall: 9152.82, 0.0031656/step, 1.84818 hours remaining, 236.582031 MB of memory in use. ENERGY: 2898200 3921.8110 20655.9324 14527.1492 244.0757 -203603.0577 2850.2401 0.0000 0.0000 52048.8137 -109355.0357 299.1252 -161403.8494 -108989.2279 299.8968 222.3929 256.2283 760785.9941 -5.3764 -5.4857 PRESSURE: 2898400 -206.406 9.90699 18.0834 9.90629 -215.262 35.8996 18.083 35.9007 60.8533 GPRESSURE: 2898400 -151.003 103.681 130.298 -47.4484 -190.868 124.436 114.527 -68.9865 69.4364 PRESSAVG: 2898400 12.3795 -7.63175 -26.5934 -7.63173 -12.3537 -1.06229 -26.5934 -1.0623 0.29939 GPRESSAVG: 2898400 13.2483 -9.71434 -27.0277 -5.67556 -13.0886 -0.901489 -25.7066 -0.341834 -0.290163 TIMING: 2898400 CPU: 9153.45, 0.00315263/step Wall: 9153.45, 0.00315263/step, 1.84044 hours remaining, 236.582031 MB of memory in use. ENERGY: 2898400 3993.9452 20644.7316 14412.4232 260.7107 -203073.0172 2489.3492 0.0000 0.0000 51965.4776 -109306.3798 298.6463 -161271.8574 -108952.3190 299.6027 -120.2714 -90.8114 762203.6639 0.1084 -0.0435 PRESSURE: 2898600 -126.166 145.772 -123.41 145.773 69.8856 117.101 -123.411 117.1 -101.506 GPRESSURE: 2898600 -128.625 79.1589 -171.586 120.447 113.423 235.128 -33.8191 86.1698 -67.8945 PRESSAVG: 2898600 8.09175 -1.27045 -11.9851 -1.27041 -32.9514 -22.1167 -11.9851 -22.1169 -1.10054 GPRESSAVG: 2898600 6.75246 0.96016 -10.9721 -3.75822 -31.5919 -22.6177 -11.4667 -23.1503 -1.60747 TIMING: 2898600 CPU: 9154.08, 0.00316632/step Wall: 9154.08, 0.00316632/step, 1.84825 hours remaining, 236.582031 MB of memory in use. ENERGY: 2898600 3920.8977 20545.9866 14446.7582 234.4513 -203255.2451 2722.6038 0.0000 0.0000 51979.5033 -109405.0443 298.7269 -161384.5476 -109044.5219 299.0575 -52.5953 -27.6988 762574.0824 -8.6534 -8.8156 PRESSURE: 2898800 -392.589 -92.5515 46.8297 -92.5514 -342.923 -153 46.8307 -153 325.84 GPRESSURE: 2898800 -327.13 -21.337 68.4667 -64.0572 -318.994 -135.208 96.6851 -52.4105 329.938 PRESSAVG: 2898800 -35.1008 27.4694 11.6689 27.4694 27.3175 -14.3684 11.6689 -14.3684 5.19619 GPRESSAVG: 2898800 -34.6467 28.0707 11.2547 27.9462 25.699 -14.7016 11.3123 -13.8414 5.86536 TIMING: 2898800 CPU: 9154.71, 0.00315384/step Wall: 9154.71, 0.00315384/step, 1.84079 hours remaining, 236.582031 MB of memory in use. ENERGY: 2898800 3962.0790 20718.6180 14436.6527 232.5733 -203304.4276 2635.8697 0.0000 0.0000 51906.6583 -109411.9767 298.3083 -161318.6349 -109053.8630 299.2084 -136.5571 -105.3953 762736.0880 -0.8624 -1.0274 PRESSURE: 2899000 181.342 34.9032 29.2724 34.9032 -78.3685 -40.6616 29.2725 -40.6613 -501.328 GPRESSURE: 2899000 58.5246 76.5194 69.9681 3.75563 -18.629 -183.096 -56.4021 -10.7603 -356.746 PRESSAVG: 2899000 -33.3294 41.4153 -21.4226 41.4153 9.85442 -17.0828 -21.4226 -17.0828 0.222179 GPRESSAVG: 2899000 -33.7926 38.3711 -21.9823 45.6311 10.3928 -17.7469 -21.3386 -15.5139 0.203571 TIMING: 2899000 CPU: 9155.35, 0.00316269/step Wall: 9155.35, 0.00316269/step, 1.84578 hours remaining, 236.582031 MB of memory in use. ENERGY: 2899000 4013.1361 20634.2850 14386.6999 233.9288 -203749.3403 2889.1984 0.0000 0.0000 52405.5675 -109186.5245 301.1755 -161592.0920 -108822.4802 299.5045 -132.7848 -105.6168 762462.7048 -7.7509 -7.7321 PRESSURE: 2899200 -19.2403 71.2095 -345.672 71.2096 406.079 -87.654 -345.671 -87.654 -57.6257 GPRESSURE: 2899200 77.666 97.2825 -344.258 -9.77706 433.228 -34.0285 -314.322 -93.8706 -82.3659 PRESSAVG: 2899200 -74.2956 -8.98096 -25.7635 -8.98088 84.1455 93.7468 -25.7635 93.7468 -6.29135 GPRESSAVG: 2899200 -74.1458 -4.37523 -26.0871 -14.2445 84.5867 93.1063 -24.6545 93.0487 -6.92753 TIMING: 2899200 CPU: 9155.98, 0.00316331/step Wall: 9155.98, 0.00316331/step, 1.84597 hours remaining, 236.582031 MB of memory in use. ENERGY: 2899200 3973.9980 20572.3023 14520.5288 254.3764 -203248.9362 2678.0553 0.0000 0.0000 52149.5611 -109100.1143 299.7042 -161249.6754 -108736.3657 299.4856 109.7377 142.8427 761178.2673 1.1862 1.1711 PRESSURE: 2899400 72.3584 -168.21 125.568 -168.21 369.316 9.93131 125.568 9.9306 -202.223 GPRESSURE: 2899400 155.327 -203.638 176.878 -198.273 236.613 55.7943 60.3461 60.3238 -90.4997 PRESSAVG: 2899400 -40.4201 26.7726 -49.525 26.7725 82.9201 -3.69873 -49.525 -3.69872 -21.2875 GPRESSAVG: 2899400 -40.6736 24.1979 -46.7614 29.2268 80.8906 -3.20837 -53.6466 -1.82748 -19.3584 TIMING: 2899400 CPU: 9156.61, 0.00315866/step Wall: 9156.61, 0.00315866/step, 1.84308 hours remaining, 236.582031 MB of memory in use. ENERGY: 2899400 3958.1111 20643.4322 14508.0184 232.2306 -203184.4795 2412.7323 0.0000 0.0000 52075.6067 -109354.3483 299.2792 -161429.9550 -108992.2261 299.1648 79.8173 100.4801 760217.1605 7.0708 6.9529 PRESSURE: 2899600 -226.557 29.5033 -247.935 29.504 -3.00091 -60.4255 -247.935 -60.4263 -40.1079 GPRESSURE: 2899600 -200.29 102.916 -286.275 8.87599 61.9215 -92.9078 -179.278 9.40351 -61.3485 PRESSAVG: 2899600 -37.4517 -22.4834 -31.1542 -22.4834 34.2669 -3.82542 -31.1542 -3.82546 24.2927 GPRESSAVG: 2899600 -37.4629 -20.1229 -32.416 -22.7108 35.5639 -3.51073 -28.1343 -4.46767 23.0762 TIMING: 2899600 CPU: 9157.24, 0.00314283/step Wall: 9157.24, 0.00314283/step, 1.83367 hours remaining, 236.582031 MB of memory in use. ENERGY: 2899600 3987.9700 20601.1485 14404.1571 242.1934 -203435.3375 2546.8687 0.0000 0.0000 51993.2503 -109659.7494 298.8059 -161652.9997 -109302.7999 298.9248 -89.8887 -66.5722 761488.1518 7.0360 7.0591 PRESSURE: 2899800 -99.0197 -330.149 -192.171 -330.149 -429.048 -63.1915 -192.17 -63.1912 -97.9954 GPRESSURE: 2899800 -152.375 -404.142 -179.572 -417.789 -376.413 1.74118 -199.298 -159.215 9.91115 PRESSAVG: 2899800 -34.2286 32.7902 29.4565 32.7902 8.05093 9.02937 29.4566 9.02936 26.258 GPRESSAVG: 2899800 -34.9168 30.9338 29.4145 32.3126 9.2485 9.98005 28.7544 7.52514 26.2372 TIMING: 2899800 CPU: 9157.87, 0.00313329/step Wall: 9157.87, 0.00313329/step, 1.82793 hours remaining, 236.582031 MB of memory in use. ENERGY: 2899800 3982.0940 20464.6510 14471.2697 255.2710 -202908.9368 2263.6883 0.0000 0.0000 52034.2288 -109437.7341 299.0414 -161471.9629 -109065.0316 298.8903 -208.6878 -172.9589 761655.5707 0.0268 0.1896 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2900000 WRITING COORDINATES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART COORDINATES PRESSURE: 2900000 -102.409 -100.894 127.002 -100.895 -154.66 -74.9911 127.002 -74.9909 -106.956 GPRESSURE: 2900000 -65.8168 35.7216 62.4983 -4.42802 -29.7623 -29.3669 8.42225 -51.0945 -178.545 PRESSAVG: 2900000 75.5578 -42.778 -21.1947 -42.778 -57.8626 36.197 -21.1947 36.197 -13.5679 GPRESSAVG: 2900000 75.0677 -41.7419 -20.9546 -43.9235 -58.8 36.356 -19.1622 34.4895 -12.7598 TIMING: 2900000 CPU: 9158.51, 0.00322134/step Wall: 9158.51, 0.00322134/step, 1.87912 hours remaining, 236.582031 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: 2900000 4010.9989 20333.3394 14533.9138 234.2272 -203203.3952 2450.1635 0.0000 0.0000 52153.2995 -109487.4528 299.7257 -161640.7523 -109117.8523 299.2285 -121.3415 -91.3746 761956.8192 1.3758 1.1693 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING VELOCITIES TO RESTART FILE AT STEP 2900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2900200 215.907 176.548 91.8758 176.548 111.153 -3.19932 91.8762 -3.19879 226.403 GPRESSURE: 2900200 253.37 91.4052 143.744 70.9728 119.715 -74.1427 -42.7238 172.3 265.68 PRESSAVG: 2900200 15.0827 8.87095 0.729304 8.87091 -3.38499 -4.82608 0.729448 -4.82602 7.18922 GPRESSAVG: 2900200 17.2854 8.38671 -0.19994 10.476 -4.44514 -6.00131 0.207535 -3.72026 5.82329 TIMING: 2900200 CPU: 9159.15, 0.00318267/step Wall: 9159.15, 0.00318267/step, 1.85638 hours remaining, 236.582031 MB of memory in use. ENERGY: 2900200 3932.6299 20534.0001 14540.3228 233.3372 -203316.9892 2838.3638 0.0000 0.0000 52002.4770 -109235.8585 298.8589 -161238.3354 -108869.9831 299.1520 184.4875 212.9218 764063.4298 6.2956 6.2212 LDB: ============= START OF LOAD BALANCING ============== 9171.68 LDB: ============== END OF LOAD BALANCING =============== 9171.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9171.68 LDB: ============= START OF LOAD BALANCING ============== 9172 LDB: Largest compute 7075 load 0.032159 is 16.4% of average load 0.195565 LDB: Average compute 0.004387 is 2.2% of average load 0.195565 LDB: TIME 9172 LOAD: AVG 0.195565 MAX 0.214395 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 9172 LOAD: AVG 0.195565 MAX 0.214395 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 9172 LOAD: AVG 0.195565 MAX 0.214395 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 9172 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9172.01 PRESSURE: 2900400 -226.012 4.02251 3.17324 4.0215 147.836 -47.1383 3.17349 -47.1381 -373.493 GPRESSURE: 2900400 -192.576 -73.8453 -34.9037 -141.663 120.757 -73.9227 -16.2475 30.1372 -292.455 PRESSAVG: 2900400 18.623 -26.5974 72.6278 -26.5974 -13.4485 20.0859 72.6277 20.086 16.1064 GPRESSAVG: 2900400 18.4058 -25.7396 73.1788 -27.3495 -13.2135 21.7019 71.0909 19.4382 15.962 TIMING: 2900400 CPU: 9159.79, 0.00322216/step Wall: 9159.79, 0.00322216/step, 1.87924 hours remaining, 237.703125 MB of memory in use. ENERGY: 2900400 4067.3654 20590.6920 14525.8598 237.3536 -203408.1129 2586.1071 0.0000 0.0000 52103.6846 -109297.0505 299.4406 -161400.7351 -108932.5820 299.8446 -150.5561 -121.4244 760184.3842 7.0936 7.0515 PRESSURE: 2900600 149.194 -118.129 5.22936 -118.128 94.9321 195.096 5.23045 195.097 -484.358 GPRESSURE: 2900600 85.9719 -139.985 151.313 -74.8992 161.287 294.908 -65.9251 168.625 -392.983 PRESSAVG: 2900600 -25.1365 -27.2618 -25.8411 -27.2618 33.133 -11.0634 -25.8411 -11.0634 10.7097 GPRESSAVG: 2900600 -26.3266 -27.131 -25.1526 -26.2378 34.1363 -10.3157 -24.6759 -8.54898 11.1981 TIMING: 2900600 CPU: 9160.42, 0.00315969/step Wall: 9160.42, 0.00315969/step, 1.84263 hours remaining, 237.773438 MB of memory in use. ENERGY: 2900600 4059.2843 20657.2059 14491.4994 250.3331 -203138.2790 2646.2370 0.0000 0.0000 51828.8877 -109204.8316 297.8613 -161033.7193 -108852.2216 299.9592 -80.0772 -48.5746 762200.6970 6.2354 6.3360 PRESSURE: 2900800 292.595 -51.4117 26.4175 -51.4114 272.795 8.96114 26.4173 8.95992 427.772 GPRESSURE: 2900800 232.426 26.1562 4.98203 -78.9692 371.483 -14.8618 -76.6819 -48.8301 462.002 PRESSAVG: 2900800 18.337 0.733585 -27.7343 0.733645 -4.32581 25.11 -27.7343 25.11 -2.68472 GPRESSAVG: 2900800 19.277 -2.64314 -27.6791 0.311026 -4.85183 25.4603 -28.5675 24.5707 -3.10889 TIMING: 2900800 CPU: 9161.05, 0.00314901/step Wall: 9161.05, 0.00314901/step, 1.83623 hours remaining, 237.773438 MB of memory in use. ENERGY: 2900800 3933.6690 20483.7406 14508.8494 254.2404 -203622.0285 3051.1472 0.0000 0.0000 52051.5884 -109338.7936 299.1412 -161390.3820 -108974.0699 299.4236 331.0536 355.3037 759274.5916 3.7755 3.7721 PRESSURE: 2901000 -96.3903 341.905 106.117 341.906 -286.112 46.8119 106.117 46.8103 -142.241 GPRESSURE: 2901000 -32.2856 253.849 52.8878 279.451 -294.146 87.8069 184.002 26.6674 -118.551 PRESSAVG: 2901000 37.1543 -0.620617 -17.9899 -0.620566 2.31888 4.77965 -17.99 4.77965 13.1397 GPRESSAVG: 2901000 36.9843 1.58956 -18.3157 -0.696694 2.21089 2.59091 -16.7492 3.23541 12.7394 TIMING: 2901000 CPU: 9161.68, 0.00313539/step Wall: 9161.68, 0.00313539/step, 1.8281 hours remaining, 237.773438 MB of memory in use. ENERGY: 2901000 3930.2719 20460.4346 14579.1273 240.9631 -202917.1823 2391.4674 0.0000 0.0000 52012.7070 -109302.2109 298.9177 -161314.9179 -108935.0293 299.3461 -174.9145 -148.3272 762468.7750 17.5376 17.3115 PRESSURE: 2901200 -262.364 -73.5639 -106.983 -73.5636 -39.571 -122.304 -106.983 -122.305 192.302 GPRESSURE: 2901200 -248.874 -22.9981 -14.2983 -172.668 35.9832 -191.905 -202.022 20.3414 178.214 PRESSAVG: 2901200 -35.7802 22.6081 25.7402 22.6081 39.717 7.82179 25.7401 7.82175 -13.3551 GPRESSAVG: 2901200 -36.7133 21.1454 24.4715 22.6922 40.1602 8.89715 23.5099 8.48633 -12.9486 TIMING: 2901200 CPU: 9162.31, 0.00313807/step Wall: 9162.31, 0.00313807/step, 1.82949 hours remaining, 237.773438 MB of memory in use. ENERGY: 2901200 4023.5723 20676.9634 14461.6614 252.0617 -203458.2461 2767.2314 0.0000 0.0000 51969.7772 -109306.9788 298.6710 -161276.7559 -108962.6015 299.2079 -36.5445 -11.5592 762077.8153 -3.1394 -3.1672 PRESSURE: 2901400 -147.069 -113.379 -88.707 -113.381 -96.8141 321.171 -88.7065 321.17 71.0049 GPRESSURE: 2901400 -130.052 -36.5047 55.8219 -65.7965 -83.9958 239.483 -212.119 341.791 146.229 PRESSAVG: 2901400 -35.5851 17.6972 42.0645 17.6972 47.5968 -31.1546 42.0646 -31.1546 5.26218 GPRESSAVG: 2901400 -34.2755 19.2121 44.061 17.9705 47.4937 -30.8915 41.6356 -29.6793 4.44344 TIMING: 2901400 CPU: 9162.94, 0.00316142/step Wall: 9162.94, 0.00316142/step, 1.84293 hours remaining, 237.773438 MB of memory in use. ENERGY: 2901400 3890.1773 20490.6974 14461.5087 239.7578 -203350.8521 2836.4673 0.0000 0.0000 52090.0420 -109342.2015 299.3622 -161432.2436 -108976.5526 299.6014 -57.6261 -22.6062 761994.1189 5.7580 5.8872 PRESSURE: 2901600 -224.816 122.849 241.403 122.849 28.0404 -125.328 241.403 -125.329 -108.871 GPRESSURE: 2901600 -114.568 132.151 219.938 122.047 34.7699 -117.499 105.476 -101.137 -163.044 PRESSAVG: 2901600 73.6891 -34.0964 38.1109 -34.0964 -27.8741 0.836071 38.1108 0.836008 -1.37679 GPRESSAVG: 2901600 73.1661 -33.2712 38.0924 -36.0274 -28.325 0.297846 36.8402 -0.523773 0.0130776 TIMING: 2901600 CPU: 9163.57, 0.00315067/step Wall: 9163.57, 0.00315067/step, 1.83649 hours remaining, 237.773438 MB of memory in use. ENERGY: 2901600 4073.0462 20669.0561 14470.1729 225.6619 -203514.5802 2619.1855 0.0000 0.0000 52031.7657 -109425.6918 299.0273 -161457.4575 -109067.9944 299.4106 -101.8821 -80.9472 760842.6935 14.8127 14.9514 PRESSURE: 2901800 -158.356 118.007 -71.4024 118.007 -566.625 26.6299 -71.4031 26.6299 -412.741 GPRESSURE: 2901800 -107.764 111.588 -99.9094 0.375678 -527.661 78.6219 -94.1785 79.8973 -442.34 PRESSAVG: 2901800 -5.39878 -26.2018 27.0085 -26.2017 -16.7474 -17.4747 27.0085 -17.4746 -19.5327 GPRESSAVG: 2901800 -6.52631 -29.5799 26.9241 -24.8462 -14.5966 -17.1365 27.1851 -18.3102 -20.2541 TIMING: 2901800 CPU: 9164.2, 0.00315235/step Wall: 9164.2, 0.00315235/step, 1.83729 hours remaining, 237.773438 MB of memory in use. ENERGY: 2901800 4000.5424 20403.8203 14493.4813 253.9809 -203197.2637 2387.6356 0.0000 0.0000 52175.8251 -109481.9781 299.8552 -161657.8032 -109111.7974 299.0756 -379.2408 -359.2550 763089.2832 -13.8930 -13.7924 PRESSURE: 2902000 190.188 -73.0112 -233.131 -73.0108 -129.465 -0.357721 -233.131 -0.358537 69.0669 GPRESSURE: 2902000 171.871 -16.6754 -247.825 -69.8244 -28.1418 17.8348 -227.881 -100.503 54.2297 PRESSAVG: 2902000 128.81 20.5767 7.71007 20.5767 -110.912 3.89359 7.71004 3.89367 -0.388195 GPRESSAVG: 2902000 130.053 22.233 5.27441 20.9181 -111.252 1.84555 9.21658 2.91523 -1.25088 TIMING: 2902000 CPU: 9164.83, 0.00314001/step Wall: 9164.83, 0.00314001/step, 1.82993 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: 2902000 4036.2939 20563.0556 14458.7654 260.0891 -203481.3972 2752.5796 0.0000 0.0000 51805.6499 -109604.9636 297.7278 -161410.6135 -109240.6430 299.2444 43.2631 65.9863 759623.7245 5.8366 5.8500 PRESSURE: 2902200 128.774 162.099 -106.564 162.099 -97.8939 -30.7785 -106.564 -30.7781 -246.22 GPRESSURE: 2902200 164.917 230.634 -101.016 82.2256 -2.17153 -165.426 -72.5095 125.734 -268.991 PRESSAVG: 2902200 38.3503 5.83477 -36.4202 5.83475 -17.3408 8.49089 -36.4201 8.49086 1.72531 GPRESSAVG: 2902200 38.3283 5.98368 -34.357 4.15225 -17.2412 9.5224 -36.1665 11.0917 1.86756 TIMING: 2902200 CPU: 9165.46, 0.00316192/step Wall: 9165.46, 0.00316192/step, 1.84252 hours remaining, 237.773438 MB of memory in use. ENERGY: 2902200 4030.2863 20355.2424 14466.0549 260.8904 -203486.0615 2941.5395 0.0000 0.0000 52131.5358 -109300.5121 299.6007 -161432.0480 -108929.3067 299.5383 -71.7797 -35.4154 762129.0957 7.5783 7.6515 PRESSURE: 2902400 -131.687 118.121 -131.782 118.121 -318.653 115.766 -131.782 115.766 -328.211 GPRESSURE: 2902400 -117.007 45.9539 -210.607 191.023 -309.1 96.2 -151.104 205.185 -274.102 PRESSAVG: 2902400 -6.5754 41.504 -16.559 41.5039 12.0282 29.4194 -16.559 29.4194 -22.6448 GPRESSAVG: 2902400 -6.34643 41.0335 -17.6777 44.3069 11.1649 30.1507 -18.228 27.7367 -21.7055 TIMING: 2902400 CPU: 9166.09, 0.00316518/step Wall: 9166.09, 0.00316518/step, 1.84425 hours remaining, 237.773438 MB of memory in use. ENERGY: 2902400 3976.6666 20496.2735 14467.9601 222.1620 -203237.1361 2443.5576 0.0000 0.0000 52246.2136 -109384.3026 300.2597 -161630.5163 -109021.5579 299.4042 -259.5174 -233.4030 760214.0964 -5.7306 -5.6290 PRESSURE: 2902600 72.6598 62.8575 -34.9303 62.8576 267.201 207.955 -34.9308 207.955 204.899 GPRESSURE: 2902600 111.095 118.968 -165.727 38.5134 225.771 250.421 49.0451 132.697 286.325 PRESSAVG: 2902600 26.4467 33.9769 9.68382 33.9769 32.3457 75.0027 9.68383 75.0028 32.3237 GPRESSAVG: 2902600 26.8491 34.3399 9.48114 34.5029 32.0833 75.592 11.6645 74.5982 32.0045 TIMING: 2902600 CPU: 9166.72, 0.00314448/step Wall: 9166.72, 0.00314448/step, 1.83201 hours remaining, 237.773438 MB of memory in use. ENERGY: 2902600 3943.1467 20433.6442 14477.9249 238.9642 -203773.0952 3117.7471 0.0000 0.0000 52168.4475 -109393.2205 299.8128 -161561.6680 -109018.3821 299.9604 181.5867 207.7304 760708.5073 30.3720 30.3123 PRESSURE: 2902800 30.2991 39.5871 -145.559 39.5869 -22.3151 181.312 -145.558 181.313 609.321 GPRESSURE: 2902800 67.9481 -8.46402 -121.692 46.5135 53.2145 170.509 -23.9633 230.956 581.081 PRESSAVG: 2902800 49.9906 -19.108 19.1463 -19.108 -21.4727 9.96803 19.1463 9.96804 -11.1202 GPRESSAVG: 2902800 49.6474 -18.7895 20.2209 -18.7225 -20.7529 10.5078 15.0991 8.78072 -11.3763 TIMING: 2902800 CPU: 9167.35, 0.00313495/step Wall: 9167.35, 0.00313495/step, 1.82628 hours remaining, 237.773438 MB of memory in use. ENERGY: 2902800 3944.0703 20480.5367 14479.8699 243.5708 -203412.3937 2842.8908 0.0000 0.0000 52026.6259 -109394.8293 298.9977 -161421.4551 -109041.0617 299.0393 205.7684 234.0811 760542.5380 5.7992 5.8394 PRESSURE: 2903000 -220.908 88.822 -179.022 88.8225 241.357 -93.4414 -179.021 -93.4411 142.111 GPRESSURE: 2903000 -73.5239 53.7968 -126.964 -57.6028 234.203 -63.5181 -201.78 -91.7898 119.787 PRESSAVG: 2903000 13.2924 19.84 48.4929 19.8399 -17.59 13.2071 48.4929 13.2071 -27.8329 GPRESSAVG: 2903000 13.0633 18.5771 49.3531 20.0793 -17.3505 12.7953 49.2312 15.4057 -28.1779 TIMING: 2903000 CPU: 9167.98, 0.00316786/step Wall: 9167.98, 0.00316786/step, 1.84528 hours remaining, 237.773438 MB of memory in use. ENERGY: 2903000 3998.8410 20381.9860 14487.5620 245.7542 -203491.2358 2850.0415 0.0000 0.0000 52205.5543 -109321.4967 300.0260 -161527.0510 -108952.7222 299.2505 54.1865 93.4889 760986.6839 -10.7102 -10.8217 PRESSURE: 2903200 -23.4591 81.3664 39.3937 81.3667 -235.278 29.1534 39.3931 29.1536 -355.359 GPRESSURE: 2903200 -0.332628 45.5697 -68.5039 38.8214 -223.355 37.8707 246.483 -51.4325 -300.707 PRESSAVG: 2903200 -8.88456 -8.31582 19.5236 -8.31584 -18.8265 31.9637 19.5236 31.9637 -4.65576 GPRESSAVG: 2903200 -8.99542 -8.27458 20.0643 -8.92554 -19.2712 32.7025 21.1509 30.1158 -4.27993 TIMING: 2903200 CPU: 9168.61, 0.00315019/step Wall: 9168.61, 0.00315019/step, 1.83481 hours remaining, 237.773438 MB of memory in use. ENERGY: 2903200 3991.4991 20439.8537 14518.0642 243.8907 -203352.1702 2568.2946 0.0000 0.0000 52149.8103 -109440.7577 299.7057 -161590.5681 -109076.4037 299.2694 -204.6987 -174.7982 762322.4990 -10.7889 -10.8489 PRESSURE: 2903400 -188.212 -90.4549 19.8673 -90.4555 -45.5107 69.3748 19.8676 69.3738 -253.801 GPRESSURE: 2903400 -122.361 -58.6223 50.8979 -110.158 -72.3271 -11.6496 -53.9606 11.0587 -235.856 PRESSAVG: 2903400 26.9965 39.1344 -13.894 39.1345 -26.5142 -9.26659 -13.894 -9.26661 -17.6958 GPRESSAVG: 2903400 27.1381 37.7088 -14.5864 38.6684 -26.9823 -9.38961 -13.7834 -6.66156 -17.6393 TIMING: 2903400 CPU: 9169.24, 0.00315388/step Wall: 9169.24, 0.00315388/step, 1.83678 hours remaining, 237.773438 MB of memory in use. ENERGY: 2903400 4008.3347 20634.0196 14474.3410 262.8829 -203117.0225 2563.0123 0.0000 0.0000 51783.6990 -109390.7331 297.6016 -161174.4320 -109031.1655 298.7985 -162.5079 -143.5147 762835.9440 -5.7378 -5.8278 PRESSURE: 2903600 -117.706 13.5194 -78.3467 13.5198 -78.6941 -27.8546 -78.3466 -27.8552 -392.133 GPRESSURE: 2903600 -51.3709 7.60462 -56.5775 7.58126 -72.6195 48.7345 -84.3198 -127.156 -385.058 PRESSAVG: 2903600 4.04287 -41.1801 50.6565 -41.1801 44.2543 19.3403 50.6565 19.3403 -21.1423 GPRESSAVG: 2903600 3.7845 -39.3352 51.1043 -41.8923 44.1291 18.7967 49.5645 18.9014 -21.511 TIMING: 2903600 CPU: 9169.88, 0.00315788/step Wall: 9169.88, 0.00315789/step, 1.83894 hours remaining, 237.773438 MB of memory in use. ENERGY: 2903600 4011.8650 20628.0501 14478.3080 261.3901 -203154.4587 2539.0023 0.0000 0.0000 51796.3543 -109439.4887 297.6744 -161235.8431 -109077.6732 298.6928 -196.1777 -169.6828 763712.4082 9.0516 8.8009 PRESSURE: 2903800 -42.4489 171.018 -224.492 171.018 372.439 18.2602 -224.493 18.2601 272.799 GPRESSURE: 2903800 62.2801 231.073 -210.997 36.5711 344.66 18.9856 -204.482 -21.3454 247.517 PRESSAVG: 2903800 -18.4585 -36.5115 30.5507 -36.5115 -18.5598 -10.5591 30.5507 -10.5591 -24.8887 GPRESSAVG: 2903800 -18.1861 -34.2085 29.4478 -37.2499 -17.8334 -9.67395 32.4866 -12.546 -25.2466 TIMING: 2903800 CPU: 9170.51, 0.00315594/step Wall: 9170.51, 0.00315594/step, 1.83764 hours remaining, 237.773438 MB of memory in use. ENERGY: 2903800 4031.7709 20377.1376 14495.2395 235.4669 -203755.4158 3171.2175 0.0000 0.0000 52017.1953 -109427.3880 298.9435 -161444.5834 -109070.2177 298.2309 200.9299 218.1525 761783.9300 -20.6357 -20.4220 PRESSURE: 2904000 187.184 -83.4863 -93.1788 -83.4862 -166.727 42.0349 -93.1797 42.0347 15.4797 GPRESSURE: 2904000 213.376 47.3258 -144.576 -43.3425 -83.7889 50.0036 -223.047 165.277 -38.1652 PRESSAVG: 2904000 -35.864 55.9001 34.7482 55.9001 62.2054 0.148286 34.7482 0.148278 18.9492 GPRESSAVG: 2904000 -35.7819 53.4603 33.0563 59.105 62.5609 -0.66781 35.3499 3.92901 18.6382 TIMING: 2904000 CPU: 9171.14, 0.00315459/step Wall: 9171.14, 0.00315459/step, 1.83667 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: 2904000 4000.0008 20651.7682 14528.3404 243.8778 -203176.5073 2828.2987 0.0000 0.0000 51828.3578 -109095.8636 297.8583 -160924.2214 -108743.0301 298.9008 11.9789 30.4739 764978.7456 15.0969 15.1391 PRESSURE: 2904200 -121.544 -186.115 48.9922 -186.114 -281.36 126.21 48.9922 126.211 129.952 GPRESSURE: 2904200 -30.6796 -233.843 167.716 -151.315 -261.86 87.1506 142.43 185.389 107.16 PRESSAVG: 2904200 61.5587 13.609 31.2935 13.6089 -38.5518 30.9082 31.2934 30.9082 -20.4861 GPRESSAVG: 2904200 60.9827 15.7842 31.994 11.6288 -39.4245 32.6159 31.8281 28.2034 -19.3186 TIMING: 2904200 CPU: 9171.77, 0.00313989/step Wall: 9171.77, 0.00313989/step, 1.82794 hours remaining, 237.773438 MB of memory in use. ENERGY: 2904200 4023.2994 20513.8938 14537.1871 248.7587 -203290.9044 2784.1986 0.0000 0.0000 52022.6388 -109160.9281 298.9748 -161183.5669 -108803.2262 298.9367 -90.9842 -61.7933 764714.2284 0.8402 0.7465 LDB: ============= START OF LOAD BALANCING ============== 9184.3 LDB: ============== END OF LOAD BALANCING =============== 9184.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9184.3 LDB: ============= START OF LOAD BALANCING ============== 9184.62 LDB: Largest compute 7026 load 0.032165 is 16.4% of average load 0.195535 LDB: Average compute 0.004374 is 2.2% of average load 0.195535 LDB: TIME 9184.62 LOAD: AVG 0.195535 MAX 0.216457 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.805 MB LDB: TIME 9184.62 LOAD: AVG 0.195535 MAX 0.216457 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: TIME 9184.62 LOAD: AVG 0.195535 MAX 0.216457 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.043 MB LDB: ============== END OF LOAD BALANCING =============== 9184.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9184.63 PRESSURE: 2904400 -70.0787 -14.1341 -149.263 -14.1332 -105.247 7.5005 -149.263 7.4995 -98.5463 GPRESSURE: 2904400 33.1209 -173.523 -124.022 -27.6415 -101.701 69.6453 -62.4603 98.9019 -120.391 PRESSAVG: 2904400 15.6239 -35.2679 14.3399 -35.2679 -15.843 30.8254 14.3399 30.8254 -19.2904 GPRESSAVG: 2904400 16.2594 -37.9984 14.9183 -32.2203 -14.8089 30.8622 13.6347 30.8828 -21.3094 TIMING: 2904400 CPU: 9172.41, 0.0032236/step Wall: 9172.41, 0.0032236/step, 1.87649 hours remaining, 235.085938 MB of memory in use. ENERGY: 2904400 4086.9993 20383.9014 14465.6382 223.8143 -203115.9869 2674.6323 0.0000 0.0000 52180.5681 -109100.4335 299.8824 -161281.0015 -108739.3980 298.8502 -91.2906 -62.9903 764188.9549 -6.5032 -6.6196 PRESSURE: 2904600 -214.1 -112.031 -156.813 -112.032 83.0747 -17.7676 -156.814 -17.7677 -344.748 GPRESSURE: 2904600 -86.0316 -92.6791 -185.219 -106.329 -17.7864 2.38 -66.4722 -45.1698 -288.802 PRESSAVG: 2904600 60.4364 -59.9653 -0.678063 -59.9654 4.33975 -6.86845 -0.678125 -6.86848 -7.24924 GPRESSAVG: 2904600 60.6962 -57.6266 0.136469 -60.5929 2.40518 -7.08352 -0.340579 -7.79465 -5.46993 TIMING: 2904600 CPU: 9173.04, 0.00313953/step Wall: 9173.04, 0.00313953/step, 1.82738 hours remaining, 235.085938 MB of memory in use. ENERGY: 2904600 4009.5753 20581.7273 14518.9984 256.1204 -202972.8171 2447.9601 0.0000 0.0000 51909.4153 -109249.0202 298.3241 -161158.4355 -108876.7305 299.0387 -158.5909 -130.8734 762901.9801 19.1757 19.2105 PRESSURE: 2904800 -52.8229 58.5066 15.2739 58.5065 -702.833 -131.92 15.2735 -131.92 -448.93 GPRESSURE: 2904800 -186.856 61.1258 5.7073 8.14422 -485.63 -181.318 -17.3777 -111.755 -449.038 PRESSAVG: 2904800 39.3147 -0.758962 8.54571 -0.758926 -22.3158 -1.48957 8.54578 -1.48963 -24.7479 GPRESSAVG: 2904800 37.5373 -1.17812 8.50896 -2.47263 -20.2824 -2.79573 7.99745 0.680345 -24.7944 TIMING: 2904800 CPU: 9173.67, 0.00314477/step Wall: 9173.67, 0.00314477/step, 1.83026 hours remaining, 235.085938 MB of memory in use. ENERGY: 2904800 4023.5081 20534.8273 14452.4498 220.9285 -203087.8421 2291.4316 0.0000 0.0000 52218.0777 -109346.6189 300.0980 -161564.6967 -108977.3496 299.6191 -401.5288 -373.8414 761198.3542 -2.5830 -2.5131 PRESSURE: 2905000 69.1137 -145.584 8.29353 -145.585 -92.8599 168.124 8.29315 168.125 -230.293 GPRESSURE: 2905000 115.913 -125.411 -8.57275 -135.515 -35.9992 127.366 26.1879 163.063 -245.783 PRESSAVG: 2905000 48.7215 -17.1485 8.3783 -17.1485 -64.0012 46.8565 8.37829 46.8564 2.28673 GPRESSAVG: 2905000 49.2123 -18.2597 9.51919 -17.9074 -63.8929 47.475 5.84445 43.7378 2.28765 TIMING: 2905000 CPU: 9174.29, 0.0031341/step Wall: 9174.29, 0.0031341/step, 1.82387 hours remaining, 235.085938 MB of memory in use. ENERGY: 2905000 4051.2548 20509.3526 14388.3549 245.2592 -203531.7604 2756.1005 0.0000 0.0000 52029.5214 -109551.9170 299.0144 -161581.4383 -109195.0231 298.5354 -84.6796 -55.2896 760947.2006 -4.3310 -4.1310 PRESSURE: 2905200 -184.187 -145.338 -71.0339 -145.338 169.928 189.307 -71.034 189.305 -331.566 GPRESSURE: 2905200 -158.217 -108.262 39.1658 -38.6196 225.103 218.658 31.3721 175.599 -339.889 PRESSAVG: 2905200 9.15419 -1.29901 -6.39953 -1.29896 -12.3986 45.5576 -6.39964 45.5576 10.3514 GPRESSAVG: 2905200 9.25122 1.18102 -6.96565 -0.617626 -12.5031 45.0249 -4.30289 48.1942 10.4554 TIMING: 2905200 CPU: 9174.92, 0.00314798/step Wall: 9174.92, 0.00314799/step, 1.83178 hours remaining, 235.085938 MB of memory in use. ENERGY: 2905200 4042.0083 20570.8065 14372.4601 240.3015 -203077.3824 2479.1276 0.0000 0.0000 51987.5937 -109385.0847 298.7734 -161372.6784 -109021.8035 299.0838 -115.2747 -91.0013 761826.1966 2.3690 2.4012 PRESSURE: 2905400 -62.5072 167.506 50.1448 167.506 142.218 139.102 50.1449 139.101 178.816 GPRESSURE: 2905400 -57.3474 117.391 2.2774 155.547 268.301 116.838 88.0501 248.712 157.813 PRESSAVG: 2905400 -15.6772 -41.5534 32.896 -41.5534 41.0327 31.0425 32.8961 31.0425 -7.61881 GPRESSAVG: 2905400 -15.6363 -39.366 31.2793 -43.059 41.1493 32.0334 35.6162 31.2487 -7.76925 TIMING: 2905400 CPU: 9175.55, 0.00314548/step Wall: 9175.55, 0.00314548/step, 1.83015 hours remaining, 235.085938 MB of memory in use. ENERGY: 2905400 4040.2021 20369.3807 14445.6763 258.1304 -203394.7569 2630.8635 0.0000 0.0000 52283.5037 -109367.0002 300.4740 -161650.5039 -108996.5278 299.1214 86.1756 122.9224 762926.0574 5.9122 5.9146 PRESSURE: 2905600 -44.5884 100.981 -114.526 100.982 -332.642 225.366 -114.526 225.366 -286.679 GPRESSURE: 2905600 40.8581 48.052 -110.678 88.8099 -327.33 252.712 -229.702 171.277 -289.7 PRESSAVG: 2905600 5.55256 -17.601 -22.4351 -17.601 -15.0904 29.5365 -22.4351 29.5365 -5.03945 GPRESSAVG: 2905600 6.64502 -21.3362 -21.442 -16.4379 -15.0827 28.6863 -25.5942 30.1047 -6.18098 TIMING: 2905600 CPU: 9176.18, 0.00314588/step Wall: 9176.18, 0.00314588/step, 1.8302 hours remaining, 235.085938 MB of memory in use. ENERGY: 2905600 4022.5883 20506.3540 14444.2457 230.4990 -203482.8871 2834.9313 0.0000 0.0000 52137.7543 -109306.5145 299.6364 -161444.2688 -108938.4900 299.4517 -221.3033 -192.0572 762750.5448 -4.8591 -4.8729 PRESSURE: 2905800 -303.785 -108.155 178.159 -108.156 45.076 131.496 178.158 131.496 -296.407 GPRESSURE: 2905800 -255.992 -111.607 206.064 -108.801 -2.89968 173.979 130.437 -15.1286 -236.851 PRESSAVG: 2905800 -51.2392 -2.84508 -48.5742 -2.84512 93.3946 1.54972 -48.5742 1.54971 14.2203 GPRESSAVG: 2905800 -51.6609 -2.46642 -49.4924 -1.64511 92.3882 2.65984 -47.7952 -0.198865 15.5958 TIMING: 2905800 CPU: 9176.81, 0.00313851/step Wall: 9176.81, 0.00313851/step, 1.82574 hours remaining, 235.085938 MB of memory in use. ENERGY: 2905800 4048.2987 20588.8034 14530.6546 232.6508 -203038.4066 2398.9490 0.0000 0.0000 51969.5147 -109269.5355 298.6695 -161239.0502 -108901.5714 299.4409 -185.0385 -165.2477 763726.0882 18.7919 18.7743 PRESSURE: 2906000 272.653 -215.046 198.93 -215.046 -33.9502 158.327 198.931 158.327 186.725 GPRESSURE: 2906000 245.081 -125.853 174.091 -91.2223 83.9679 46.6998 157.633 234.899 160.777 PRESSAVG: 2906000 -46.9291 9.78624 -17.9556 9.78623 8.10371 31.0131 -17.9556 31.013 11.6018 GPRESSAVG: 2906000 -48.1151 8.02964 -17.7668 9.27207 10.008 29.0244 -16.2978 32.7674 11.0129 TIMING: 2906000 CPU: 9177.44, 0.00314748/step Wall: 9177.44, 0.00314748/step, 1.83078 hours remaining, 235.085938 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: 2906000 4043.7634 20557.1016 14485.0600 268.6344 -203299.6202 2717.2288 0.0000 0.0000 52203.7909 -109024.0411 300.0159 -161227.8320 -108665.3246 299.1227 141.8093 163.2752 762272.9398 -9.0745 -9.0314 PRESSURE: 2906200 55.2549 -15.1573 123.042 -15.1578 -354.796 -14.3742 123.043 -14.3752 -469.135 GPRESSURE: 2906200 31.5125 -66.7483 199.152 14.7004 -300.431 -17.261 70.9204 41.0821 -428.642 PRESSAVG: 2906200 38.4007 28.8439 32.7553 28.8438 -6.01903 11.7758 32.7554 11.7757 14.4426 GPRESSAVG: 2906200 37.795 33.0442 34.1601 29.6557 -6.2818 13.4721 30.9404 11.9693 14.7428 TIMING: 2906200 CPU: 9178.07, 0.00314571/step Wall: 9178.07, 0.00314571/step, 1.82958 hours remaining, 235.085938 MB of memory in use. ENERGY: 2906200 4049.6126 20651.7992 14486.5425 250.0765 -203140.8518 2468.7210 0.0000 0.0000 52020.2616 -109213.8384 298.9612 -161234.1000 -108857.2037 299.7362 -256.2254 -232.5200 762094.6337 15.6081 15.4187 PRESSURE: 2906400 32.2492 -64.3472 -121.588 -64.3474 -255.95 -2.44114 -121.588 -2.4418 -408.942 GPRESSURE: 2906400 12.0637 -15.9948 -84.5519 -60.567 -163.342 -32.0861 -263.526 -109.048 -374.772 PRESSAVG: 2906400 9.94445 -15.9656 -19.2649 -15.9656 7.56317 -26.0979 -19.2649 -26.098 25.4679 GPRESSAVG: 2906400 12.4458 -16.088 -19.7615 -17.5026 6.56623 -26.3013 -20.3124 -26.8234 23.9271 TIMING: 2906400 CPU: 9178.7, 0.00315367/step Wall: 9178.7, 0.00315367/step, 1.83403 hours remaining, 235.085938 MB of memory in use. ENERGY: 2906400 4060.0136 20699.2844 14481.6960 264.8735 -202909.1513 2341.8395 0.0000 0.0000 52075.0450 -108986.3993 299.2760 -161061.4443 -108627.9244 299.8213 -210.8806 -175.3503 763380.5537 14.3252 14.3130 PRESSURE: 2906600 -132.79 -112.664 54.3661 -112.664 -11.3994 -33.638 54.3647 -33.6383 179.462 GPRESSURE: 2906600 -96.6713 -152.013 12.3398 -155.851 0.0170485 -112.504 1.91948 -61.0924 242.565 PRESSAVG: 2906600 -19.2256 -22.2913 -44.0123 -22.2912 21.0762 -38.4897 -44.0123 -38.4897 3.57962 GPRESSAVG: 2906600 -21.3426 -20.9637 -43.5127 -22.0988 22.7835 -39.8395 -43.045 -40.574 4.00598 TIMING: 2906600 CPU: 9179.33, 0.00315059/step Wall: 9179.33, 0.00315059/step, 1.83207 hours remaining, 235.085938 MB of memory in use. ENERGY: 2906600 3975.9998 20430.6050 14467.1107 236.0062 -202956.7819 2760.0755 0.0000 0.0000 52022.5072 -109064.4775 298.9741 -161086.9847 -108705.3748 299.7797 11.7573 48.6370 765811.3545 1.8101 1.8156 PRESSURE: 2906800 -391.871 90.0094 -116.705 90.0092 62.0218 101.319 -116.705 101.319 -222.698 GPRESSURE: 2906800 -296.957 63.6675 -184.617 53.3892 133.823 59.4277 9.13824 46.6482 -274.658 PRESSAVG: 2906800 -12.0079 -0.887878 -19.2294 -0.887836 20.3788 19.936 -19.2295 19.9361 5.75317 GPRESSAVG: 2906800 -10.134 -4.91986 -21.6254 -0.546208 18.0426 20.8402 -17.5621 23.2042 6.28294 TIMING: 2906800 CPU: 9179.96, 0.00314312/step Wall: 9179.96, 0.00314312/step, 1.82755 hours remaining, 235.085938 MB of memory in use. ENERGY: 2906800 4067.2132 20521.1199 14439.8679 247.8310 -202820.1065 2536.2117 0.0000 0.0000 52210.1403 -108797.7225 300.0524 -161007.8629 -108440.6727 299.8015 -184.1824 -145.9304 763393.2358 4.7080 4.7305 PRESSURE: 2907000 -91.2239 55.1627 -129.241 55.1633 -157.234 71.2038 -129.24 71.2027 -160.888 GPRESSURE: 2907000 -76.196 69.8785 -124.528 42.1203 -119.206 57.5255 -79.6582 -51.3133 -148.67 PRESSAVG: 2907000 -27.1741 28.3072 19.6289 28.3072 76.8997 7.03005 19.6289 7.03004 -11.8965 GPRESSAVG: 2907000 -28.0162 28.782 20.9119 29.8188 77.548 8.19233 19.387 6.86914 -11.456 TIMING: 2907000 CPU: 9180.59, 0.00313503/step Wall: 9180.59, 0.00313503/step, 1.82267 hours remaining, 235.085938 MB of memory in use. ENERGY: 2907000 4010.1871 20637.7638 14471.4338 229.6481 -202859.6428 2493.4818 0.0000 0.0000 51899.6070 -109117.5212 298.2678 -161017.1282 -108763.7255 299.8724 -136.4488 -114.6906 763623.9085 12.6097 12.6919 PRESSURE: 2907200 -172.949 35.7991 -56.7905 35.7991 -66.3297 -6.40995 -56.7907 -6.40868 228.952 GPRESSURE: 2907200 -209.769 -96.2659 -174.701 66.8012 -65.2174 -48.9045 -5.56894 -30.9871 335.883 PRESSAVG: 2907200 -19.5577 9.58159 10.6858 9.58159 -7.71566 -25.1292 10.6858 -25.1293 6.57042 GPRESSAVG: 2907200 -19.8905 8.2821 10.689 10.3179 -7.29774 -25.6064 11.1648 -25.8083 6.28254 TIMING: 2907200 CPU: 9181.22, 0.00315293/step Wall: 9181.22, 0.00315293/step, 1.8329 hours remaining, 235.085938 MB of memory in use. ENERGY: 2907200 3956.0997 20519.4196 14471.8181 240.7154 -203171.4715 2830.4044 0.0000 0.0000 51990.7955 -109162.2187 298.7918 -161153.0142 -108800.0330 299.2346 -3.4424 20.2989 763116.0459 -6.9010 -6.9686 PRESSURE: 2907400 277.14 -74.6327 2.93229 -74.633 -188.893 58.1324 2.93266 58.1319 -179.669 GPRESSURE: 2907400 252.41 -118.714 15.8034 -66.3055 -81.175 11.6623 -62.7471 101.898 -183.068 PRESSAVG: 2907400 -4.10856 34.1351 22.5277 34.1351 19.7962 -21.4975 22.5276 -21.4976 23.3631 GPRESSAVG: 2907400 -2.99589 35.7406 22.7603 34.016 18.9656 -21.3558 22.415 -21.4465 22.5419 TIMING: 2907400 CPU: 9181.85, 0.00314849/step Wall: 9181.85, 0.00314849/step, 1.83015 hours remaining, 235.085938 MB of memory in use. ENERGY: 2907400 3956.5362 20590.4766 14480.7184 234.2708 -202917.7470 2619.8193 0.0000 0.0000 51980.0047 -109055.9210 298.7298 -161035.9258 -108688.4916 299.5772 -30.4739 -3.9441 763546.3272 13.0169 12.8372 PRESSURE: 2907600 30.1794 165.675 107.957 165.676 10.4552 -264.715 107.957 -264.714 -139.499 GPRESSURE: 2907600 52.4841 31.6096 105.814 18.2281 -68.6997 -306.06 135.916 -160.101 6.80378 PRESSAVG: 2907600 -1.24103 62.104 44.5192 62.1039 37.3261 -63.485 44.5192 -63.485 8.96537 GPRESSAVG: 2907600 -1.71899 60.5497 45.3371 60.1915 37.9433 -63.5332 45.4172 -64.5082 9.50233 TIMING: 2907600 CPU: 9182.47, 0.00312925/step Wall: 9182.47, 0.00312925/step, 1.81879 hours remaining, 235.085938 MB of memory in use. ENERGY: 2907600 4046.0006 20568.3152 14480.4163 245.1437 -202811.7764 2567.6077 0.0000 0.0000 51790.5425 -109113.7504 297.6410 -160904.2929 -108764.6927 299.5712 -32.9549 -3.1373 763337.1015 15.0168 15.2422 PRESSURE: 2907800 32.76 39.104 113.71 39.1043 -273.878 264.753 113.71 264.752 183.504 GPRESSURE: 2907800 52.3167 65.9494 83.0972 13.8969 -168.655 260.826 85.1511 209.906 155.125 PRESSAVG: 2907800 14.5777 17.7159 10.0027 17.7159 4.44913 -26.527 10.0027 -26.527 7.29447 GPRESSAVG: 2907800 15.3332 19.2826 9.13232 18.9831 3.57436 -26.2836 7.75907 -25.9105 7.54594 TIMING: 2907800 CPU: 9183.1, 0.00314397/step Wall: 9183.1, 0.00314397/step, 1.82717 hours remaining, 235.085938 MB of memory in use. ENERGY: 2907800 3985.8262 20495.2866 14489.3281 250.9535 -203013.1606 2659.9497 0.0000 0.0000 51908.8592 -109222.9573 298.3209 -161131.8165 -108859.5637 299.0460 -19.2048 12.9289 764482.1068 8.7738 8.8178 PRESSURE: 2908000 259.339 46.7492 18.7535 46.7496 -65.5557 308.639 18.7533 308.638 69.0098 GPRESSURE: 2908000 217.071 79.3704 58.3311 83.9223 61.5201 272.636 -55.9451 291.996 64.8264 PRESSAVG: 2908000 -37.3023 40.56 1.86404 40.56 -18.0764 -18.5109 1.86404 -18.5108 -24.5358 GPRESSAVG: 2908000 -37.8851 40.2966 1.66604 38.6003 -17.3058 -18.7684 2.15297 -17.9381 -24.8098 TIMING: 2908000 CPU: 9183.73, 0.00314209/step Wall: 9183.73, 0.00314209/step, 1.82591 hours remaining, 235.085938 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: 2908000 3937.1546 20649.0552 14522.9071 238.8819 -203079.4414 2551.8256 0.0000 0.0000 52142.9803 -109036.6367 299.6664 -161179.6170 -108675.3260 299.4134 87.5976 114.4724 763579.1504 -26.6382 -26.6669 PRESSURE: 2908200 -129.836 -117.972 -78.1239 -117.972 339.458 -71.1766 -78.1245 -71.1755 -59.3432 GPRESSURE: 2908200 42.4796 -77.1074 -102.098 -60.1074 234.916 -41.9348 72.5732 -32.32 -45.0634 PRESSAVG: 2908200 -54.0432 1.16525 -17.7202 1.16529 84.4332 35.6068 -17.7202 35.6069 8.83744 GPRESSAVG: 2908200 -53.2323 1.56665 -16.2009 3.23937 83.1572 37.2509 -16.6412 35.8976 9.07834 TIMING: 2908200 CPU: 9184.36, 0.00314509/step Wall: 9184.36, 0.00314509/step, 1.82747 hours remaining, 235.085938 MB of memory in use. ENERGY: 2908200 3961.9175 20351.8293 14570.9526 267.0032 -202938.8771 2540.1720 0.0000 0.0000 52125.9985 -109121.0040 299.5688 -161247.0025 -108738.3659 299.8072 50.0931 77.4441 762948.6192 13.0758 13.0011 LDB: ============= START OF LOAD BALANCING ============== 9196.89 LDB: ============== END OF LOAD BALANCING =============== 9196.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9196.89 LDB: ============= START OF LOAD BALANCING ============== 9197.21 LDB: Largest compute 7026 load 0.033296 is 17.0% of average load 0.195472 LDB: Average compute 0.004384 is 2.2% of average load 0.195472 LDB: TIME 9197.21 LOAD: AVG 0.195472 MAX 0.213812 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.465 MB LDB: TIME 9197.21 LOAD: AVG 0.195472 MAX 0.213812 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: TIME 9197.21 LOAD: AVG 0.195472 MAX 0.213812 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: ============== END OF LOAD BALANCING =============== 9197.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9197.22 PRESSURE: 2908400 -28.7687 129.373 -69.2955 129.372 210.013 -79.793 -69.2961 -79.7937 77.7748 GPRESSURE: 2908400 150.867 120.026 -67.4219 32.7176 150.734 -57.2874 -91.7407 -56.8875 49.2388 PRESSAVG: 2908400 22.2237 -22.6724 -4.751 -22.6724 -17.9365 44.7593 -4.75104 44.7593 36.7266 GPRESSAVG: 2908400 22.5525 -22.5767 -6.71574 -21.7822 -17.2195 43.1301 -3.94099 41.9403 35.8781 TIMING: 2908400 CPU: 9185, 0.00321145/step Wall: 9185, 0.00321145/step, 1.86586 hours remaining, 235.816406 MB of memory in use. ENERGY: 2908400 3939.9326 20560.0921 14502.8103 229.0982 -203198.8778 2706.8722 0.0000 0.0000 52175.8091 -109084.2633 299.8551 -161260.0724 -108715.6142 299.5167 86.3398 116.9467 762908.1980 13.6712 13.7370 PRESSURE: 2908600 222.652 -49.0643 -41.5666 -49.0638 158.103 -201.888 -41.5671 -201.887 -172.267 GPRESSURE: 2908600 223.122 -65.3539 10.9833 -64.4073 134.106 -237.019 -18.8548 -86.34 -79.3904 PRESSAVG: 2908600 27.3238 -1.69678 14.0123 -1.69677 17.9281 3.65289 14.0122 3.65283 -26.0941 GPRESSAVG: 2908600 26.5139 -3.92161 15.2552 -1.91981 18.454 4.28237 12.995 5.44055 -25.138 TIMING: 2908600 CPU: 9185.63, 0.00315136/step Wall: 9185.63, 0.00315136/step, 1.83076 hours remaining, 236.277344 MB of memory in use. ENERGY: 2908600 4002.2926 20534.6065 14409.4781 239.6534 -202980.5683 2653.5532 0.0000 0.0000 51860.9078 -109280.0767 298.0454 -161140.9845 -108924.8873 298.7488 69.4960 92.6127 762904.9387 6.3859 6.6100 PRESSURE: 2908800 51.0532 -28.8835 -207.767 -28.8837 -283.225 23.03 -207.767 23.0286 -361.192 GPRESSURE: 2908800 17.6576 -22.8541 -262.244 -51.9976 -260.115 -61.6473 -116.455 -36.4146 -260.989 PRESSAVG: 2908800 -0.777419 -13.2948 6.93027 -13.2949 6.59603 -7.46238 6.93029 -7.46252 -8.47829 GPRESSAVG: 2908800 -0.384695 -11.4288 5.44941 -15.0988 5.52893 -7.33423 7.49407 -6.71197 -7.64821 TIMING: 2908800 CPU: 9186.26, 0.00314312/step Wall: 9186.26, 0.00314312/step, 1.82581 hours remaining, 236.277344 MB of memory in use. ENERGY: 2908800 3892.7407 20472.9815 14463.3726 247.6565 -202872.4649 2478.8455 0.0000 0.0000 51772.4636 -109544.4045 297.5371 -161316.8681 -109180.8960 298.4466 -197.7878 -167.8157 762464.8650 -0.8866 -0.8347 PRESSURE: 2909000 -70.6913 -19.9827 211.338 -19.9828 25.2574 85.709 211.339 85.7094 185.965 GPRESSURE: 2909000 -156.553 -112.972 170.515 68.6523 121.555 70.9932 120.094 -17.7465 267.769 PRESSAVG: 2909000 -26.6071 -22.0975 -4.12608 -22.0973 10.491 23.5352 -4.12605 23.5351 -2.00137 GPRESSAVG: 2909000 -27.1982 -21.6171 -2.72777 -20.9363 11.833 23.6889 -4.86286 21.8364 -2.87567 TIMING: 2909000 CPU: 9186.89, 0.0031388/step Wall: 9186.89, 0.0031388/step, 1.82312 hours remaining, 236.277344 MB of memory in use. ENERGY: 2909000 3978.3982 20534.2969 14446.9838 244.2819 -203612.1332 2923.0468 0.0000 0.0000 52220.1868 -109264.9388 300.1101 -161485.1256 -108898.2106 298.7472 46.8436 77.5903 762243.0255 -6.0392 -6.0803 PRESSURE: 2909200 28.1289 -146.827 -61.7181 -146.827 -178.052 8.77324 -61.7188 8.77269 355.365 GPRESSURE: 2909200 40.4688 -183.237 85.2336 -126.157 -135.058 -22.0137 -40.4998 74.3951 372.107 PRESSAVG: 2909200 15.9359 -16.042 10.7863 -16.0421 -3.06583 30.4512 10.7864 30.4512 11.0467 GPRESSAVG: 2909200 16.3303 -16.6757 9.81893 -15.7986 -3.56709 29.2796 10.2952 31.9282 11.6954 TIMING: 2909200 CPU: 9187.51, 0.00313161/step Wall: 9187.51, 0.00313161/step, 1.81877 hours remaining, 236.277344 MB of memory in use. ENERGY: 2909200 3990.9229 20464.0100 14417.2082 223.5567 -203493.3397 2842.1965 0.0000 0.0000 52406.5360 -109148.9094 301.1811 -161555.4454 -108771.1167 299.2608 68.4807 92.5060 763709.3628 7.9723 8.1529 PRESSURE: 2909400 0.900154 -427.59 210.53 -427.59 121.325 227.097 210.53 227.098 359.512 GPRESSURE: 2909400 17.9452 -305.295 129.832 -438.47 213.107 223.011 174.656 254.737 345.548 PRESSAVG: 2909400 3.9874 2.90745 27.8544 2.90744 12.7923 -2.48188 27.8544 -2.48195 -18.2092 GPRESSAVG: 2909400 6.24014 3.80856 29.6812 0.649505 10.7603 -1.5537 27.6455 -4.29641 -18.7288 TIMING: 2909400 CPU: 9188.14, 0.00314416/step Wall: 9188.14, 0.00314416/step, 1.82588 hours remaining, 236.277344 MB of memory in use. ENERGY: 2909400 4022.5752 20572.0732 14414.4661 250.7338 -203490.9413 2949.5370 0.0000 0.0000 51992.3293 -109289.2266 298.8006 -161281.5559 -108929.4349 299.5621 160.5791 192.2000 763394.9456 -0.4765 -0.5761 PRESSURE: 2909600 187.989 67.2854 51.5428 67.2852 -103.429 33.609 51.5425 33.6092 112.376 GPRESSURE: 2909600 234.133 50.9356 1.59965 128.832 -60.8869 36.196 18.2832 44.7145 107.173 PRESSAVG: 2909600 10.3926 -27.8057 62.8308 -27.8056 18.3278 28.3566 62.8307 28.3566 -10.8494 GPRESSAVG: 2909600 8.78227 -28.1688 61.1156 -25.9138 19.1161 29.0482 62.4111 29.1229 -10.1987 TIMING: 2909600 CPU: 9188.77, 0.0031403/step Wall: 9188.77, 0.0031403/step, 1.82347 hours remaining, 236.277344 MB of memory in use. ENERGY: 2909600 4042.0115 20496.4240 14493.6688 251.2294 -203614.3061 2967.5637 0.0000 0.0000 52060.0303 -109303.3784 299.1897 -161363.4087 -108953.8425 298.6127 65.6455 93.4732 762926.0539 5.9570 5.8999 PRESSURE: 2909800 -235.132 96.2115 -119.789 96.2115 300.038 152.177 -119.79 152.176 53.4385 GPRESSURE: 2909800 -124.244 123.145 -72.3766 -34.6239 268.993 175.257 -58.1056 129.166 74.5114 PRESSAVG: 2909800 -57.5171 -37.6801 12.7665 -37.6802 58.741 29.2017 12.7664 29.2016 7.33767 GPRESSAVG: 2909800 -57.7403 -37.5511 11.6037 -38.9248 59.1923 28.3975 15.2609 29.9587 7.29209 TIMING: 2909800 CPU: 9189.4, 0.00315446/step Wall: 9189.4, 0.00315447/step, 1.83152 hours remaining, 236.277344 MB of memory in use. ENERGY: 2909800 3956.9518 20377.0741 14520.9063 263.6695 -203229.3402 2779.7506 0.0000 0.0000 52067.4339 -109263.5541 299.2323 -161330.9881 -108901.4279 298.8749 39.4484 73.0868 762719.3322 2.8538 2.9147 PRESSURE: 2910000 -60.5084 -84.8929 -77.1071 -84.8929 -345.344 405.942 -77.1063 405.943 27.8058 GPRESSURE: 2910000 -65.8384 -118.919 -14.9134 -102.581 -310.746 417.747 -47.8137 450.009 63.8852 PRESSAVG: 2910000 4.01343 -3.84589 45.5638 -3.84585 -18.8721 72.573 45.5637 72.5729 -15.3258 GPRESSAVG: 2910000 4.12207 -5.03039 46.7384 -2.9274 -19.0841 72.9409 46.468 72.926 -14.7648 TIMING: 2910000 CPU: 9190.03, 0.00314379/step Wall: 9190.03, 0.00314379/step, 1.82515 hours remaining, 236.277344 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: 2910000 4021.1358 20552.8689 14466.6353 234.8880 -202714.0703 2307.5932 0.0000 0.0000 51913.5481 -109217.4009 298.3479 -161130.9490 -108854.5334 299.7398 -126.0155 -104.2332 761576.1913 -10.0615 -9.9090 PRESSURE: 2910200 -160.727 95.3818 -107.013 95.3811 -29.7613 59.501 -107.014 59.5011 -279.39 GPRESSURE: 2910200 -105.72 19.2176 -105.816 60.3415 -95.1055 22.9108 7.75999 67.0844 -192.302 PRESSAVG: 2910200 -8.35751 -14.6882 52.0466 -14.6882 -8.22662 87.4909 52.0466 87.4909 11.0073 GPRESSAVG: 2910200 -8.38937 -12.9914 51.492 -15.1726 -7.85239 88.0191 49.1648 86.3115 10.7616 TIMING: 2910200 CPU: 9190.66, 0.00316176/step Wall: 9190.66, 0.00316176/step, 1.8354 hours remaining, 236.277344 MB of memory in use. ENERGY: 2910200 4003.7174 20646.8711 14490.6892 260.9090 -203083.0088 2532.1643 0.0000 0.0000 52014.7547 -109133.9031 298.9295 -161148.6578 -108777.1850 299.3250 -156.6262 -131.0425 762580.8877 -1.8589 -1.8267 PRESSURE: 2910400 -300.651 -211.817 120.385 -211.817 32.581 -209.663 120.385 -209.663 -329.004 GPRESSURE: 2910400 -132.899 -211.139 67.1167 -172.368 -58.2897 -287.106 125.077 -255.79 -315.331 PRESSAVG: 2910400 -36.0564 -6.68985 17.6538 -6.68997 30.5228 -22.9434 17.6537 -22.9434 2.76303 GPRESSAVG: 2910400 -34.6694 -7.17433 17.7373 -4.30148 29.4916 -24.903 18.764 -22.6661 1.58025 TIMING: 2910400 CPU: 9191.29, 0.00315405/step Wall: 9191.29, 0.00315405/step, 1.83075 hours remaining, 236.277344 MB of memory in use. ENERGY: 2910400 4029.2545 20474.3820 14396.6014 261.3628 -203313.6793 2745.5841 0.0000 0.0000 52306.0552 -109100.4394 300.6036 -161406.4945 -108725.9182 299.2917 -199.0244 -168.8399 763852.0013 -0.9235 -1.1992 PRESSURE: 2910600 165.241 304.859 85.196 304.86 375.14 253.576 85.1955 253.576 246.735 GPRESSURE: 2910600 161.618 250.356 54.8749 153.091 451.785 229.275 165.042 190.795 267.659 PRESSAVG: 2910600 -37.4657 16.5298 15.9448 16.5298 56.3253 -39.2436 15.9449 -39.2436 -8.24231 GPRESSAVG: 2910600 -38.0549 15.8996 15.3643 13.9721 56.8914 -38.9815 16.5765 -36.6834 -7.3987 TIMING: 2910600 CPU: 9191.93, 0.00317325/step Wall: 9191.93, 0.00317325/step, 1.84172 hours remaining, 236.277344 MB of memory in use. ENERGY: 2910600 4008.0848 20349.0584 14487.5893 241.7134 -203357.1637 2959.6033 0.0000 0.0000 52117.0308 -109194.0837 299.5173 -161311.1145 -108834.9974 299.3629 262.3719 293.6875 761161.7684 3.5391 3.8126 PRESSURE: 2910800 -226.95 122.017 -14.7157 122.018 -265.858 237.066 -14.7163 237.066 -82.8892 GPRESSURE: 2910800 -241.78 178.942 -8.66597 44.9429 -161.466 285.616 -25.7705 38.9625 -76.3584 PRESSAVG: 2910800 9.54483 -7.33987 44.6499 -7.33985 29.4766 34.175 44.6498 34.1751 -1.79584 GPRESSAVG: 2910800 8.15631 -6.64432 44.6205 -5.63353 30.3442 35.1947 44.3051 31.4763 -1.44831 TIMING: 2910800 CPU: 9192.56, 0.00315486/step Wall: 9192.56, 0.00315486/step, 1.83087 hours remaining, 236.277344 MB of memory in use. ENERGY: 2910800 4030.8288 20372.1454 14470.0861 239.0713 -202950.1070 2579.6415 0.0000 0.0000 51981.6762 -109276.6578 298.7394 -161258.3340 -108910.6409 299.1093 -191.8991 -159.8684 764082.5782 12.4085 12.3507 PRESSURE: 2911000 -90.6764 62.6207 148.723 62.62 -110.631 -381.567 148.724 -381.566 -25.7659 GPRESSURE: 2911000 -125.799 -35.6417 181.751 -16.9665 -34.4926 -365.113 177.776 -380.029 11.1282 PRESSAVG: 2911000 -52.0326 11.5596 22.196 11.5597 12.4668 44.9656 22.196 44.9656 17.0549 GPRESSAVG: 2911000 -49.4476 11.4383 24.9233 10.7468 10.8524 45.2389 21.3524 44.2961 16.0058 TIMING: 2911000 CPU: 9193.19, 0.00314936/step Wall: 9193.19, 0.00314936/step, 1.8275 hours remaining, 236.277344 MB of memory in use. ENERGY: 2911000 3942.2863 20336.6712 14497.0637 244.1991 -203018.2404 2649.8445 0.0000 0.0000 51942.1649 -109406.0106 298.5123 -161348.1755 -109043.9822 298.8356 -75.6910 -49.7213 763037.9925 -7.5036 -7.5298 PRESSURE: 2911200 -447.836 133.285 -66.114 133.286 -131.023 -271.443 -66.1146 -271.444 -270.83 GPRESSURE: 2911200 -394.649 154.514 -97.1146 141.616 -48.2301 -161.878 95.1423 -220.773 -318.932 PRESSAVG: 2911200 11.4803 -7.97197 14.2822 -7.97196 25.2175 -43.4442 14.2821 -43.4441 16.8614 GPRESSAVG: 2911200 10.0157 -8.87787 10.995 -7.99891 26.3109 -43.3797 17.6712 -40.4968 17.4148 TIMING: 2911200 CPU: 9193.82, 0.00315064/step Wall: 9193.82, 0.00315064/step, 1.82807 hours remaining, 236.277344 MB of memory in use. ENERGY: 2911200 3930.6839 20403.1449 14563.9176 240.6782 -203054.0082 2433.3466 0.0000 0.0000 51919.5873 -109562.6497 298.3826 -161482.2370 -109192.8226 298.6773 -283.2296 -253.9368 762492.7741 17.8531 17.9138 PRESSURE: 2911400 -17.8177 -40.1541 47.834 -40.1531 -189.662 -150.731 47.8333 -150.73 -123.722 GPRESSURE: 2911400 81.4683 -30.8659 40.1589 -32.7402 -253.635 -132.921 117.194 -165.799 -87.6333 PRESSAVG: 2911400 0.192524 19.3989 9.66431 19.3989 40.7835 -80.7264 9.66431 -80.7264 -3.88893 GPRESSAVG: 2911400 -0.0592925 20.6209 11.7811 19.3458 40.5009 -81.4433 9.14058 -81.9695 -3.51209 TIMING: 2911400 CPU: 9194.45, 0.00314179/step Wall: 9194.45, 0.00314179/step, 1.82276 hours remaining, 236.277344 MB of memory in use. ENERGY: 2911400 4003.6996 20305.6443 14545.5253 262.5176 -203170.0946 2476.2347 0.0000 0.0000 51900.3164 -109676.1567 298.2718 -161576.4730 -109317.4940 298.7953 -110.4006 -86.6001 760812.6455 12.3624 12.3098 PRESSURE: 2911600 -111.274 -22.2636 -78.3913 -22.2634 -163.834 -217.215 -78.3903 -217.215 -414.82 GPRESSURE: 2911600 -117.171 -74.0538 4.05514 -0.101727 -116.486 -145.4 -178.599 -123.622 -375.894 PRESSAVG: 2911600 -38.9958 22.3364 59.0379 22.3364 11.168 2.31359 59.0379 2.3136 5.80753 GPRESSAVG: 2911600 -38.3803 21.8599 59.8077 21.3833 11.6804 3.10681 55.8286 2.25868 4.48999 TIMING: 2911600 CPU: 9195.08, 0.00314671/step Wall: 9195.08, 0.00314671/step, 1.82544 hours remaining, 236.277344 MB of memory in use. ENERGY: 2911600 4036.1975 20410.6199 14370.1894 235.2882 -203073.7457 2584.0449 0.0000 0.0000 51922.5953 -109514.8104 298.3999 -161437.4058 -109156.9522 298.0679 -229.9762 -203.1839 764459.0283 -7.3401 -7.4033 PRESSURE: 2911800 -168.287 -10.1162 -57.7406 -10.1156 -20.1983 -215.295 -57.7412 -215.295 -336.616 GPRESSURE: 2911800 -157.072 -76.4114 -13.4312 41.717 21.3771 -231.857 -16.2994 -194.186 -322.69 PRESSAVG: 2911800 -37.7648 34.2554 38.3363 34.2554 59.8299 -27.3632 38.3362 -27.3632 -2.16077 GPRESSAVG: 2911800 -38.2431 35.1672 36.2021 35.0556 59.574 -26.3438 39.7788 -27.5945 -1.26205 TIMING: 2911800 CPU: 9195.71, 0.00314822/step Wall: 9195.71, 0.00314822/step, 1.82614 hours remaining, 236.277344 MB of memory in use. ENERGY: 2911800 4094.2449 20304.5920 14457.6453 232.8210 -202757.4354 2440.3108 0.0000 0.0000 52007.4061 -109220.4152 298.8873 -161227.8213 -108860.8084 298.7319 -175.0337 -152.7951 763559.1022 6.6348 6.6896 PRESSURE: 2912000 23.2316 -101.153 317.389 -101.153 -178.264 19.9231 317.39 19.9211 -260.46 GPRESSURE: 2912000 52.0848 -124.319 272.318 -128.375 -87.2766 72.8912 273.26 -31.778 -277.918 PRESSAVG: 2912000 -69.0021 61.6233 -37.77 61.6233 33.8958 14.9911 -37.7699 14.9911 9.65191 GPRESSAVG: 2912000 -68.0407 60.4259 -38.0652 62.4356 34.0892 12.7288 -37.8744 14.8834 8.66431 TIMING: 2912000 CPU: 9196.33, 0.00313802/step Wall: 9196.33, 0.00313802/step, 1.82005 hours remaining, 236.277344 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: 2912000 4048.2509 20333.0461 14430.3795 231.4719 -203545.6810 2996.6798 0.0000 0.0000 52034.0271 -109471.8256 299.0403 -161505.8527 -109102.7034 298.7867 -138.4978 -104.3701 762977.1129 -8.4848 -8.4291 PRESSURE: 2912200 19.9051 6.8886 -94.8267 6.88798 120.082 -153.923 -94.8263 -153.922 -37.48 GPRESSURE: 2912200 67.6917 25.0261 -70.366 -21.4488 178.099 -111.196 -311.629 -121.955 -46.0304 PRESSAVG: 2912200 -6.29538 -4.98542 23.5334 -4.98544 -9.8008 19.5099 23.5334 19.5099 -15.3037 GPRESSAVG: 2912200 -7.14636 -4.70245 25.7407 -6.32306 -9.34927 21.4733 20.8647 20.6462 -14.7694 TIMING: 2912200 CPU: 9196.96, 0.0031503/step Wall: 9196.96, 0.0031503/step, 1.827 hours remaining, 236.277344 MB of memory in use. ENERGY: 2912200 3932.2066 20474.2677 14433.3603 243.0040 -202853.5873 2590.8195 0.0000 0.0000 51932.0494 -109247.8798 298.4542 -161179.9291 -108900.3144 298.4314 34.1690 66.5868 762979.5535 -10.4666 -10.4217 LDB: ============= START OF LOAD BALANCING ============== 9209.49 LDB: ============== END OF LOAD BALANCING =============== 9209.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9209.5 LDB: ============= START OF LOAD BALANCING ============== 9209.81 LDB: Largest compute 7026 load 0.034609 is 17.7% of average load 0.195544 LDB: Average compute 0.004376 is 2.2% of average load 0.195544 LDB: TIME 9209.81 LOAD: AVG 0.195544 MAX 0.216231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.234 MB LDB: TIME 9209.82 LOAD: AVG 0.195544 MAX 0.216231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: TIME 9209.82 LOAD: AVG 0.195544 MAX 0.216231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.312 MB LDB: ============== END OF LOAD BALANCING =============== 9209.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9209.82 PRESSURE: 2912400 182.898 -159.647 138.719 -159.646 -14.5318 -56.3819 138.721 -56.3816 -127.058 GPRESSURE: 2912400 223.965 -225.248 63.8944 -151.808 64.664 -55.0533 156.967 -97.5818 -169.944 PRESSAVG: 2912400 43.0527 13.5561 -5.06023 13.556 -12.8885 -16.1162 -5.06024 -16.1162 -8.68375 GPRESSAVG: 2912400 42.4055 13.2719 -6.9314 12.4152 -13.1174 -17.8421 -3.49057 -17.3296 -7.95546 TIMING: 2912400 CPU: 9197.61, 0.00321342/step Wall: 9197.61, 0.00321342/step, 1.86343 hours remaining, 235.703125 MB of memory in use. ENERGY: 2912400 3918.8236 20274.4313 14466.3425 233.8147 -203034.5029 2590.5743 0.0000 0.0000 52299.8683 -109250.6482 300.5681 -161550.5165 -108885.8910 299.3637 13.7693 39.5615 761599.1710 7.1602 7.1109 PRESSURE: 2912600 121.621 311.093 -66.8116 311.093 -95.0713 -253.726 -66.8117 -253.725 -51.4031 GPRESSURE: 2912600 111.32 294.607 -57.6148 286.589 -70.2355 -237.472 30.4261 -239.791 18.3761 PRESSAVG: 2912600 16.4801 19.3405 1.09939 19.3404 11.5543 -2.72246 1.09938 -2.72239 16.9825 GPRESSAVG: 2912600 17.0859 20.7907 2.46568 22.2265 12.6074 -0.797825 0.482602 -1.72739 15.5246 TIMING: 2912600 CPU: 9198.24, 0.00315969/step Wall: 9198.24, 0.00315969/step, 1.83209 hours remaining, 235.964844 MB of memory in use. ENERGY: 2912600 3950.3478 20619.0218 14502.2435 256.8434 -203187.5088 2713.8995 0.0000 0.0000 51953.0831 -109192.0697 298.5751 -161145.1528 -108836.6915 299.3771 -8.2845 19.8202 763279.0927 15.0056 15.0727 PRESSURE: 2912800 -227.061 -100.729 5.9581 -100.731 -104.119 164.468 5.95749 164.467 34.5978 GPRESSURE: 2912800 -179.435 10.245 13.4662 -81.8673 -67.9441 128.318 24.3802 187.055 37.0234 PRESSAVG: 2912800 -5.85364 -42.1775 1.55207 -42.1775 21.2802 8.13899 1.55198 8.13903 -14.0731 GPRESSAVG: 2912800 -4.83534 -41.6123 1.26249 -43.3679 19.1949 5.66392 1.31353 8.64707 -13.0534 TIMING: 2912800 CPU: 9198.87, 0.0031582/step Wall: 9198.87, 0.0031582/step, 1.83106 hours remaining, 236.234375 MB of memory in use. ENERGY: 2912800 4046.4687 20465.0456 14491.2688 237.2395 -203298.3705 2868.3924 0.0000 0.0000 51974.9679 -109214.9876 298.7009 -161189.9555 -108861.3805 299.2423 -98.8608 -70.1185 764973.3860 0.4512 0.4354 PRESSURE: 2913000 149.831 229.82 -64.0425 229.82 -152.512 -63.488 -64.0421 -63.4888 -9.57657 GPRESSURE: 2913000 142.627 211.508 -122.338 280.619 -79.9463 12.8831 -92.2574 -110.54 -29.1952 PRESSAVG: 2913000 -10.4306 22.6008 -43.7341 22.6008 36.4531 12.8062 -43.734 12.8062 13.1535 GPRESSAVG: 2913000 -12.1927 20.5076 -45.3374 24.408 38.4518 14.413 -41.9704 10.678 12.9598 TIMING: 2913000 CPU: 9199.5, 0.00315181/step Wall: 9199.5, 0.00315181/step, 1.82717 hours remaining, 236.234375 MB of memory in use. ENERGY: 2913000 3873.0496 20721.2114 14458.2987 246.4838 -203165.5792 2603.4563 0.0000 0.0000 52129.4857 -109133.5937 299.5889 -161263.0794 -108770.3745 299.2662 -4.0861 11.1619 762978.5170 13.0587 13.0730 PRESSURE: 2913200 -346.416 -23.7228 -107.08 -23.7223 -249.622 94.9342 -107.08 94.9341 -219.845 GPRESSURE: 2913200 -244.95 -92.551 -73.7242 -67.9388 -297.665 148.801 -114.232 116.621 -189.497 PRESSAVG: 2913200 14.8927 -38.2559 8.69098 -38.2559 -18.3326 8.26101 8.69095 8.26113 8.15989 GPRESSAVG: 2913200 16.2945 -37.3807 8.91457 -43.6475 -19.5248 9.19456 9.27116 9.10597 8.41881 TIMING: 2913200 CPU: 9200.13, 0.00314231/step Wall: 9200.13, 0.00314231/step, 1.82149 hours remaining, 236.234375 MB of memory in use. ENERGY: 2913200 3993.1863 20708.7579 14452.2876 255.4200 -203539.4262 2956.2693 0.0000 0.0000 52052.8038 -109120.7013 299.1482 -161173.5051 -108754.1550 299.6913 -271.9610 -244.0374 762692.4517 1.5733 1.7295 PRESSURE: 2913400 -204.192 129.026 -16.0548 129.027 222.171 -77.5035 -16.0555 -77.5036 -255.816 GPRESSURE: 2913400 -111.348 91.8341 -22.1929 152.521 148.053 -164.3 67.4213 -29.9209 -193.587 PRESSAVG: 2913400 -64.7881 -38.1652 3.27637 -38.1652 0.99999 41.574 3.2764 41.574 8.98658 GPRESSAVG: 2913400 -65.1884 -38.1764 3.31579 -33.6278 2.2726 39.3196 3.08842 42.7132 8.33642 TIMING: 2913400 CPU: 9200.76, 0.00313725/step Wall: 9200.76, 0.00313725/step, 1.81838 hours remaining, 236.234375 MB of memory in use. ENERGY: 2913400 3990.1370 20553.0953 14408.2303 239.9472 -203219.1379 2788.8663 0.0000 0.0000 52096.4685 -109142.3933 299.3991 -161238.8618 -108773.2201 299.8034 -79.2791 -52.2940 762733.3349 -18.2672 -18.1931 PRESSURE: 2913600 -246.415 244.125 -263.022 244.125 112.903 71.4051 -263.021 71.405 421.099 GPRESSURE: 2913600 -214.23 195.161 -322.015 151.473 167.25 51.1265 -272.588 144.838 415.266 PRESSAVG: 2913600 -73.6396 -10.9655 0.488389 -10.9655 103.148 -27.3185 0.488377 -27.3186 9.12982 GPRESSAVG: 2913600 -73.7894 -9.74147 1.19451 -11.9969 102.563 -27.8387 0.162753 -28.0413 10.1365 TIMING: 2913600 CPU: 9201.39, 0.00318385/step Wall: 9201.39, 0.00318385/step, 1.84522 hours remaining, 236.234375 MB of memory in use. ENERGY: 2913600 3925.5043 20490.7457 14462.9366 258.8842 -202933.3251 2570.1075 0.0000 0.0000 51984.4045 -109240.7423 298.7551 -161225.1467 -108882.0803 299.4986 95.8625 122.7621 760501.9253 12.8794 12.9701 PRESSURE: 2913800 558.049 -10.096 -61.4689 -10.097 331.305 -175.208 -61.468 -175.208 149.927 GPRESSURE: 2913800 583.549 20.3931 -41.7428 -83.2579 358.217 -202.187 -105.106 -119.971 181.22 PRESSAVG: 2913800 3.93866 19.9604 15.6286 19.9604 31.1934 -20.4411 15.6286 -20.4411 0.131415 GPRESSAVG: 2913800 3.89445 18.5771 14.6734 20.0627 32.2773 -17.7349 13.9914 -20.8124 -1.13781 TIMING: 2913800 CPU: 9202.02, 0.00316116/step Wall: 9202.02, 0.00316116/step, 1.83189 hours remaining, 236.234375 MB of memory in use. ENERGY: 2913800 3908.7267 20510.8173 14437.3730 225.4062 -203256.4370 2746.7472 0.0000 0.0000 52366.9476 -109060.4190 300.9536 -161427.3666 -108697.5679 299.5953 346.4270 374.3288 761451.8449 11.7545 11.6780 PRESSURE: 2914000 -203.536 10.7837 115.23 10.7836 11.4465 58.4085 115.229 58.408 330.368 GPRESSURE: 2914000 -207.064 -81.6492 121.92 -4.51799 37.4375 115.184 145.978 82.1411 399.579 PRESSAVG: 2914000 24.7752 -69.2641 -16.5938 -69.2642 -11.7272 -34.86 -16.5938 -34.86 -13.4662 GPRESSAVG: 2914000 24.5669 -69.5809 -13.7299 -70.4117 -12.9746 -36.0811 -14.9196 -33.2906 -11.3147 TIMING: 2914000 CPU: 9202.66, 0.00315329/step Wall: 9202.66, 0.00315329/step, 1.82716 hours remaining, 236.234375 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: 2914000 4047.0037 20516.7346 14439.3285 239.8031 -203322.5156 2840.9955 0.0000 0.0000 52128.4370 -109110.2132 299.5828 -161238.6501 -108750.4830 299.6774 46.0926 76.6508 762402.3667 -0.1394 0.0925 PRESSURE: 2914200 118.729 8.44245 -249.567 8.44282 120.232 128.05 -249.568 128.051 111.367 GPRESSURE: 2914200 222.491 -82.3213 -282.104 64.0225 164.019 221.467 -244.979 65.7309 33.3187 PRESSAVG: 2914200 -17.5066 -34.621 -9.27451 -34.621 19.6655 -25.7524 -9.2745 -25.7524 1.46005 GPRESSAVG: 2914200 -16.8632 -35.3151 -9.6498 -33.6326 19.4986 -24.0623 -9.86215 -27.7383 0.853391 TIMING: 2914200 CPU: 9203.29, 0.00315703/step Wall: 9203.29, 0.00315703/step, 1.82915 hours remaining, 236.234375 MB of memory in use. ENERGY: 2914200 3880.3970 20545.7754 14426.5924 258.0505 -203103.4465 2695.7431 0.0000 0.0000 52074.8098 -109222.0782 299.2746 -161296.8880 -108865.0980 299.0950 116.7760 139.9430 762763.7336 1.2063 1.1629 PRESSURE: 2914400 429.573 234.237 -119.503 234.237 122.912 104.904 -119.503 104.903 -159.669 GPRESSURE: 2914400 477.958 220.605 -135.883 189.469 92.6379 85.8882 -137.154 49.6423 -85.6665 PRESSAVG: 2914400 -26.2438 33.8473 1.32147 33.8473 -25.2824 -7.68238 1.32148 -7.68233 8.86049 GPRESSAVG: 2914400 -25.9539 35.428 0.0558093 34.0349 -25.1703 -7.67094 0.433828 -10.5971 8.67666 TIMING: 2914400 CPU: 9203.92, 0.00316295/step Wall: 9203.92, 0.00316295/step, 1.8324 hours remaining, 236.234375 MB of memory in use. ENERGY: 2914400 3972.2226 20646.5393 14452.4484 257.1018 -202935.6757 2444.3789 0.0000 0.0000 51908.7945 -109254.1902 298.3206 -161162.9847 -108899.5621 299.0394 130.9385 161.6432 761036.9747 -14.2219 -14.1492 PRESSURE: 2914600 -224.248 -39.0413 -144.422 -39.0411 24.5623 29.2981 -144.422 29.2984 -145.054 GPRESSURE: 2914600 -169.779 -45.9258 -49.254 73.4161 3.51033 44.7928 -46.3502 75.0527 -102.518 PRESSAVG: 2914600 13.4907 43.5524 7.0312 43.5524 -15.7374 18.3274 7.03123 18.3273 9.53305 GPRESSAVG: 2914600 14.0741 42.6254 7.99993 43.9809 -16.1036 16.2125 11.0786 22.4775 9.60257 TIMING: 2914600 CPU: 9204.55, 0.00315878/step Wall: 9204.55, 0.00315878/step, 1.82981 hours remaining, 236.234375 MB of memory in use. ENERGY: 2914600 4038.5375 20743.9850 14493.3270 260.9401 -203322.4465 2604.4706 0.0000 0.0000 52071.2540 -109109.9322 299.2542 -161181.1863 -108751.5763 299.6327 -114.9133 -89.5954 761618.6336 2.4288 2.5244 PRESSURE: 2914800 -49.8507 -3.69419 172.238 -3.69428 -117.648 140.427 172.239 140.427 -53.8311 GPRESSURE: 2914800 -85.5925 42.8052 182.294 53.5844 -52.7014 219.045 48.8884 124.089 9.68296 PRESSAVG: 2914800 10.7334 47.5406 -67.2967 47.5406 -3.80066 25.7142 -67.2968 25.7142 1.05092 GPRESSAVG: 2914800 8.92785 46.8893 -67.3457 47.5811 -1.76422 27.374 -71.7839 24.3507 0.429509 TIMING: 2914800 CPU: 9205.18, 0.0031667/step Wall: 9205.18, 0.0031667/step, 1.83422 hours remaining, 236.234375 MB of memory in use. ENERGY: 2914800 3905.1206 20505.4487 14432.0390 268.0341 -203103.8017 2587.5495 0.0000 0.0000 51939.4793 -109466.1305 298.4969 -161405.6098 -109093.4228 299.3961 -73.7767 -42.8703 762125.2204 2.6612 2.5310 PRESSURE: 2915000 -561.153 105.829 53.3285 105.83 -53.2198 -54.8568 53.3285 -54.8578 221.347 GPRESSURE: 2915000 -481.027 116.73 45.9425 79.7695 -3.95432 -105.741 13.0084 -10.8863 160.751 PRESSAVG: 2915000 -47.1563 58.6001 -33.9472 58.6001 32.8597 -38.529 -33.9471 -38.5291 -0.811648 GPRESSAVG: 2915000 -46.3997 59.6398 -33.9773 59.2331 31.458 -38.5826 -33.9199 -37.5916 -0.382056 TIMING: 2915000 CPU: 9205.82, 0.00317763/step Wall: 9205.82, 0.00317763/step, 1.84038 hours remaining, 236.234375 MB of memory in use. ENERGY: 2915000 4008.6239 20549.0747 14450.4784 251.3887 -202849.3516 2318.7383 0.0000 0.0000 52011.8031 -109259.2445 298.9125 -161271.0476 -108897.4788 299.1429 -131.0088 -108.0769 761082.1846 -5.0361 -5.1079 PRESSURE: 2915200 -136.25 -97.2164 -263.709 -97.2169 -329.981 -220.092 -263.709 -220.092 205.255 GPRESSURE: 2915200 -107.852 -80.4029 -246.113 -66.2921 -248.785 -253.486 -81.4256 -144.462 166.877 PRESSAVG: 2915200 -25.0513 18.6561 -19.1657 18.6561 -9.19632 -14.2668 -19.1657 -14.2668 -6.82146 GPRESSAVG: 2915200 -24.8187 18.8236 -19.7475 18.7009 -9.41681 -14.4937 -17.3608 -14.3625 -6.58809 TIMING: 2915200 CPU: 9206.45, 0.0031475/step Wall: 9206.45, 0.0031475/step, 1.82275 hours remaining, 236.234375 MB of memory in use. ENERGY: 2915200 3863.0732 20520.9680 14413.6695 246.7429 -202819.8835 2413.2992 0.0000 0.0000 52095.1148 -109267.0160 299.3913 -161362.1309 -108899.7326 299.0688 -86.9923 -63.2535 762466.6555 -13.6897 -13.6079 PRESSURE: 2915400 -87.6294 -46.3975 -78.5809 -46.3979 65.3602 118.448 -78.581 118.45 -173.256 GPRESSURE: 2915400 -7.0882 -102.108 -5.45394 -60.3291 7.9031 176.911 -34.3665 186.862 -124.284 PRESSAVG: 2915400 -29.5809 21.5387 -12.169 21.5386 45.3221 8.30516 -12.1691 8.30516 -24.1779 GPRESSAVG: 2915400 -30.5339 20.09 -11.6819 20.7705 46.0644 8.58183 -12.5128 6.93536 -23.9133 TIMING: 2915400 CPU: 9207.08, 0.00314746/step Wall: 9207.08, 0.00314746/step, 1.82255 hours remaining, 236.234375 MB of memory in use. ENERGY: 2915400 4005.1339 20389.2999 14453.6276 234.8314 -203145.2697 2588.9229 0.0000 0.0000 52080.8967 -109392.5573 299.3096 -161473.4540 -109033.5586 298.4396 -65.1750 -41.1564 763348.1338 -2.8122 -2.7943 PRESSURE: 2915600 -6.88695 -178.175 -28.023 -178.176 467.634 -26.5 -28.0224 -26.5 64.8756 GPRESSURE: 2915600 149.246 -182.386 -108.293 -79.4208 359.564 -2.10772 6.44321 -22.6674 104.264 PRESSAVG: 2915600 -14.0539 -28.0886 -33.5192 -28.0887 -1.02717 19.6407 -33.5191 19.6408 34.6665 GPRESSAVG: 2915600 -12.6073 -28.6665 -33.5759 -30.2191 -1.66664 18.8269 -33.9029 20.9895 34.0259 TIMING: 2915600 CPU: 9207.71, 0.00315984/step Wall: 9207.71, 0.00315984/step, 1.82955 hours remaining, 236.234375 MB of memory in use. ENERGY: 2915600 3943.8623 20352.2764 14408.5278 258.8292 -203036.1271 2738.6139 0.0000 0.0000 51967.2527 -109366.7648 298.6565 -161334.0175 -109007.3795 298.8428 175.2077 204.3581 761653.8768 6.5285 6.5840 PRESSURE: 2915800 161.798 -149.258 -167.802 -149.258 -45.4311 59.5846 -167.801 59.5839 -125.895 GPRESSURE: 2915800 232.455 -167.785 -184.035 -50.5535 -11.7156 89.8983 -212.159 76.7411 -123.418 PRESSAVG: 2915800 -8.87372 14.1092 -1.79801 14.1092 -15.8206 -14.5578 -1.79799 -14.5578 -0.122407 GPRESSAVG: 2915800 -8.65713 14.0201 -0.968171 17.6984 -15.5596 -14.5346 -3.44752 -13.8796 -0.985605 TIMING: 2915800 CPU: 9208.34, 0.00314957/step Wall: 9208.34, 0.00314957/step, 1.82343 hours remaining, 236.234375 MB of memory in use. ENERGY: 2915800 4006.9149 20274.0317 14541.7273 247.2714 -203079.8962 2608.9170 0.0000 0.0000 52125.7964 -109275.2375 299.5677 -161401.0340 -108897.4820 299.0430 -3.1759 32.4404 762514.5555 -8.2722 -8.4008 PRESSURE: 2916000 -17.5638 -284.365 -11.5219 -284.366 -20.6313 -396.533 -11.5212 -396.533 -66.031 GPRESSURE: 2916000 -36.6419 -277.291 -114.705 -162.631 -9.21711 -376.552 -5.22973 -288.081 17.4408 PRESSAVG: 2916000 -6.99402 -16.7603 -35.3576 -16.7603 -29.3497 -61.0363 -35.3576 -61.0363 5.47171 GPRESSAVG: 2916000 -8.46913 -15.6966 -37.0057 -18.2366 -29.2509 -59.8811 -33.7079 -61.3288 6.76147 TIMING: 2916000 CPU: 9208.97, 0.00316062/step Wall: 9208.97, 0.00316062/step, 1.82965 hours remaining, 236.234375 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: 2916000 3986.5641 20576.4195 14436.2006 249.1332 -203039.1522 2624.4226 0.0000 0.0000 52021.9779 -109144.4344 298.9710 -161166.4123 -108788.8417 299.1375 -34.7420 -9.4727 763543.9259 -10.2907 -10.3195 PRESSURE: 2916200 53.941 -172.039 -68.0805 -172.039 88.8717 155.165 -68.0815 155.167 -140.595 GPRESSURE: 2916200 33.5806 -192.914 -36.7151 -136.351 110.506 133.187 -72.7086 65.6263 -69.9318 PRESSAVG: 2916200 70.3626 -12.8479 -20.4175 -12.8479 6.06396 -20.8423 -20.4176 -20.8423 -14.63 GPRESSAVG: 2916200 70.5861 -11.2598 -20.8601 -13.7573 6.65665 -21.212 -19.3377 -21.6823 -15.1532 TIMING: 2916200 CPU: 9209.6, 0.00314496/step Wall: 9209.6, 0.00314496/step, 1.82041 hours remaining, 236.234375 MB of memory in use. ENERGY: 2916200 3884.4201 20552.6024 14458.4984 255.3448 -203245.6526 2615.3056 0.0000 0.0000 52365.0081 -109114.4732 300.9424 -161479.4813 -108750.1011 299.8607 0.7393 24.7183 762044.6289 20.5988 20.6965 LDB: ============= START OF LOAD BALANCING ============== 9222.14 LDB: ============== END OF LOAD BALANCING =============== 9222.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9222.14 LDB: ============= START OF LOAD BALANCING ============== 9222.45 LDB: Largest compute 7058 load 0.032264 is 16.5% of average load 0.195549 LDB: Average compute 0.004359 is 2.2% of average load 0.195549 LDB: TIME 9222.45 LOAD: AVG 0.195549 MAX 0.214932 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.168 MB LDB: TIME 9222.46 LOAD: AVG 0.195549 MAX 0.214932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: TIME 9222.46 LOAD: AVG 0.195549 MAX 0.214932 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.168 MB LDB: ============== END OF LOAD BALANCING =============== 9222.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9222.46 PRESSURE: 2916400 -109.541 -143.574 55.1139 -143.573 -1.20628 -20.6643 55.1136 -20.664 -24.901 GPRESSURE: 2916400 -86.8522 -145.584 6.64783 -203.509 -4.82711 19.0591 158.992 -29.317 46.8949 PRESSAVG: 2916400 -23.0152 8.3439 -48.1435 8.3439 11.1065 -5.81751 -48.1435 -5.81747 -5.28158 GPRESSAVG: 2916400 -22.528 7.02902 -46.5744 9.14749 11.372 -5.62575 -48.3536 -4.14831 -6.07828 TIMING: 2916400 CPU: 9210.25, 0.00321746/step Wall: 9210.25, 0.00321746/step, 1.8622 hours remaining, 237.253906 MB of memory in use. ENERGY: 2916400 4073.1047 20602.0757 14397.9738 262.3655 -203400.2752 2936.0090 0.0000 0.0000 52021.9804 -109106.7662 298.9710 -161128.7466 -108756.5596 299.6713 -45.2162 -14.9281 762248.8234 -5.7301 -5.7448 PRESSURE: 2916600 -146.837 -112.299 162.4 -112.298 33.3295 -131.9 162.4 -131.901 79.8168 GPRESSURE: 2916600 -69.3706 -17.7173 83.8044 -84.3789 89.8895 -177.236 157.558 -82.8237 22.9232 PRESSAVG: 2916600 -51.4083 0.360624 2.86933 0.360584 66.4621 -11.2855 2.86932 -11.2855 9.12697 GPRESSAVG: 2916600 -51.9223 1.58044 1.83726 0.375651 66.5204 -12.0614 2.47675 -12.9126 9.12674 TIMING: 2916600 CPU: 9210.88, 0.00314917/step Wall: 9210.88, 0.00314917/step, 1.8225 hours remaining, 237.253906 MB of memory in use. ENERGY: 2916600 4025.6756 20316.5007 14416.6330 237.6969 -203282.2087 2711.9394 0.0000 0.0000 52395.6311 -109178.1319 301.1184 -161573.7630 -108806.6877 299.4767 -11.2301 14.4807 762062.7936 8.0603 7.9083 PRESSURE: 2916800 -122.885 73.7012 -166.35 73.7011 114.753 -4.54195 -166.35 -4.54101 -371.788 GPRESSURE: 2916800 -83.9345 51.814 -152.091 152.859 88.7939 -30.1066 -75.911 23.5801 -293.499 PRESSAVG: 2916800 -17.88 48.4564 7.06447 48.4564 -9.73612 -7.03239 7.06438 -7.03229 -24.3152 GPRESSAVG: 2916800 -18.0074 47.7815 8.21929 47.7107 -9.50701 -8.05154 5.90676 -7.52167 -24.3177 TIMING: 2916800 CPU: 9211.5, 0.00314201/step Wall: 9211.5, 0.00314201/step, 1.81817 hours remaining, 237.253906 MB of memory in use. ENERGY: 2916800 3947.6966 20547.2030 14381.3706 240.7350 -202972.0930 2652.6217 0.0000 0.0000 52172.1571 -109030.3090 299.8341 -161202.4661 -108678.0672 299.4805 -126.6400 -96.2133 762894.3203 -17.3104 -17.2774 PRESSURE: 2917000 283.16 -93.081 -153.582 -93.0802 -129.589 26.0263 -153.582 26.0268 74.9033 GPRESSURE: 2917000 312.776 47.1219 -266.514 -117.955 -26.329 -1.14916 -170.262 -5.09102 27.4435 PRESSAVG: 2917000 -52.0922 5.94225 -16.7038 5.94225 51.7456 -16.4393 -16.7039 -16.4392 3.1269 GPRESSAVG: 2917000 -51.8937 6.73126 -15.9268 5.10183 49.7543 -14.8874 -17.705 -15.8027 4.63276 TIMING: 2917000 CPU: 9212.14, 0.00315822/step Wall: 9212.14, 0.00315822/step, 1.82738 hours remaining, 237.253906 MB of memory in use. ENERGY: 2917000 3950.7337 20538.2999 14475.8829 254.5790 -203370.9325 2797.0279 0.0000 0.0000 52272.9165 -109081.4926 300.4132 -161354.4091 -108718.2977 299.7131 76.1582 104.6300 761400.8718 0.9268 0.8311 PRESSURE: 2917200 -249.591 -173.9 -137.165 -173.9 -47.9898 70.2636 -137.165 70.2629 -63.1461 GPRESSURE: 2917200 -245.051 -127.564 -79.425 -50.586 22.7981 100.829 -109.174 -89.8317 -64.8238 PRESSAVG: 2917200 38.6661 51.612 -18.471 51.612 12.9374 28.4219 -18.471 28.4219 -13.0659 GPRESSAVG: 2917200 38.4851 49.834 -18.1295 51.9349 14.8102 26.935 -19.199 28.9091 -13.935 TIMING: 2917200 CPU: 9212.77, 0.00316217/step Wall: 9212.77, 0.00316217/step, 1.82949 hours remaining, 237.253906 MB of memory in use. ENERGY: 2917200 3919.5919 20686.2476 14481.0670 238.2524 -203072.6050 2603.1255 0.0000 0.0000 52132.2340 -109012.0866 299.6047 -161144.3206 -108656.7878 299.8331 -120.2424 -95.6921 762845.9817 12.8458 13.1201 PRESSURE: 2917400 128.288 131.839 236.872 131.838 369.027 -237.646 236.871 -237.646 344.562 GPRESSURE: 2917400 101.248 111.172 176.975 244.952 405.99 -231.129 79.2153 -210.936 407.817 PRESSAVG: 2917400 39.1029 36.3664 5.11136 36.3664 -19.6373 39.8812 5.11135 39.8812 -10.9811 GPRESSAVG: 2917400 39.9022 38.0479 3.11387 38.0902 -20.7572 41.3274 4.42756 38.6583 -10.6199 TIMING: 2917400 CPU: 9213.4, 0.00316437/step Wall: 9213.4, 0.00316437/step, 1.83059 hours remaining, 237.253906 MB of memory in use. ENERGY: 2917400 3897.4383 20358.0978 14450.6828 236.5704 -202938.7098 2698.3564 0.0000 0.0000 52300.1490 -108997.4150 300.5697 -161297.5640 -108633.3981 299.3902 280.6255 305.0181 762271.5799 2.8282 2.8417 PRESSURE: 2917600 189.511 -161.068 -346.336 -161.067 -1.10597 154.154 -346.336 154.152 105.252 GPRESSURE: 2917600 273.167 -139.1 -315.889 -85.8359 11.6542 161.304 -132.514 87.8247 88.9858 PRESSAVG: 2917600 13.3605 28.5058 -18.3773 28.5059 1.75477 -16.0177 -18.3773 -16.0177 -15.5493 GPRESSAVG: 2917600 13.3997 27.4643 -18.2738 30.0986 1.64958 -17.1982 -15.4233 -13.9051 -15.3383 TIMING: 2917600 CPU: 9214.03, 0.00315689/step Wall: 9214.03, 0.00315689/step, 1.82608 hours remaining, 237.253906 MB of memory in use. ENERGY: 2917600 3944.7080 20561.2232 14434.9670 224.1513 -202942.7129 2660.1672 0.0000 0.0000 52087.1823 -109030.3138 299.3458 -161117.4961 -108671.2236 299.6213 97.8857 124.6023 760680.5657 -0.1447 -0.0963 PRESSURE: 2917800 -276.171 91.6685 277.579 91.6684 -376.586 -10.8161 277.579 -10.8167 -181.726 GPRESSURE: 2917800 -218.275 146.139 276.418 100.422 -285.466 -1.07233 106.698 -61.7068 -275.952 PRESSAVG: 2917800 -17.1669 17.0926 36.779 17.0926 37.6081 37.4113 36.779 37.4112 20.0701 GPRESSAVG: 2917800 -16.4044 19.0344 36.7903 11.4325 37.3175 37.8165 34.9857 35.9617 19.7694 TIMING: 2917800 CPU: 9214.66, 0.00313102/step Wall: 9214.66, 0.00313102/step, 1.81095 hours remaining, 237.253906 MB of memory in use. ENERGY: 2917800 4048.0858 20587.4622 14426.8632 267.4474 -202947.1724 2535.9983 0.0000 0.0000 51932.0049 -109149.3106 298.4539 -161081.3154 -108785.6054 299.7027 -278.1611 -259.8972 761537.6324 13.5038 13.5608 PRESSURE: 2918000 -102.691 -99.9568 -68.0641 -99.9564 -110.262 -24.8334 -68.0639 -24.8334 -102.592 GPRESSURE: 2918000 -52.5742 -128.352 -47.8628 -107.093 -90.9238 18.572 -108.081 -51.2456 -82.6866 PRESSAVG: 2918000 -52.4659 3.60733 61.7484 3.60732 29.5007 -22.3221 61.7484 -22.3222 -25.1177 GPRESSAVG: 2918000 -52.7156 2.63096 61.1927 6.70816 29.5972 -23.1159 62.3334 -20.5997 -24.8984 TIMING: 2918000 CPU: 9215.29, 0.00314462/step Wall: 9215.29, 0.00314462/step, 1.81864 hours remaining, 237.253906 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: 2918000 3983.7994 20655.7346 14457.7195 230.3073 -202860.2079 2265.1873 0.0000 0.0000 52121.3096 -109146.1503 299.5419 -161267.4599 -108784.9967 299.8457 -105.1817 -75.3948 762569.7457 -16.0276 -16.0056 PRESSURE: 2918200 -23.0129 -95.4213 129.795 -95.4216 298.937 208.769 129.794 208.768 -399.389 GPRESSURE: 2918200 85.7835 -173.57 215.543 -163.049 230.917 125.52 75.9876 252.643 -365.282 PRESSAVG: 2918200 2.27913 28.8233 24.4604 28.8232 -2.00751 36.1304 24.4604 36.1304 4.43615 GPRESSAVG: 2918200 1.74256 28.873 24.7483 28.6743 -2.21363 35.1925 24.8009 34.9145 4.67105 TIMING: 2918200 CPU: 9215.92, 0.00315343/step Wall: 9215.92, 0.00315343/step, 1.82356 hours remaining, 237.253906 MB of memory in use. ENERGY: 2918200 4105.5572 20608.2864 14465.8849 240.1169 -203351.0019 2755.0155 0.0000 0.0000 52039.8337 -109136.3074 299.0736 -161176.1411 -108779.0870 299.5775 -41.1550 -16.1940 761777.1501 1.5693 1.4000 PRESSURE: 2918400 33.3457 15.2521 146.581 15.2523 -108.118 25.0775 146.581 25.0763 -407.502 GPRESSURE: 2918400 103.812 -54.6414 69.0404 52.1409 -105.543 106.636 162.549 0.195035 -404.612 PRESSAVG: 2918400 14.0726 -34.1251 53.1823 -34.1251 -4.51799 16.7696 53.1823 16.7696 -24.0863 GPRESSAVG: 2918400 14.3012 -32.439 53.872 -35.1371 -4.98041 18.8259 53.9565 17.502 -24.1591 TIMING: 2918400 CPU: 9216.55, 0.00316101/step Wall: 9216.55, 0.00316101/step, 1.82777 hours remaining, 237.253906 MB of memory in use. ENERGY: 2918400 4021.4925 20503.8726 14468.7735 228.3344 -202990.4167 2459.4320 0.0000 0.0000 52080.4201 -109228.0916 299.3069 -161308.5118 -108871.6814 299.4795 -160.7581 -135.4477 761379.4766 -4.8439 -4.9461 PRESSURE: 2918600 310.306 144.984 16.9107 144.984 11.5093 95.8464 16.9108 95.8466 -309.724 GPRESSURE: 2918600 385.909 88.8527 11.5761 250.018 -6.19639 119.213 -10.3524 26.601 -300.03 PRESSAVG: 2918600 10.2746 35.0269 18.4167 35.027 0.905405 26.6099 18.4167 26.6099 17.9334 GPRESSAVG: 2918600 9.51858 32.4027 17.3335 37.9352 2.1254 26.4929 20.6871 24.4783 17.6709 TIMING: 2918600 CPU: 9217.18, 0.00314827/step Wall: 9217.18, 0.00314827/step, 1.82023 hours remaining, 237.253906 MB of memory in use. ENERGY: 2918600 4033.2648 20521.2640 14449.3527 242.3534 -203318.1461 2756.5218 0.0000 0.0000 52230.8829 -109084.5065 300.1716 -161315.3894 -108727.1499 299.4907 4.0306 26.5606 762763.9012 9.7045 9.7716 PRESSURE: 2918800 -391.764 208.61 -60.0035 208.609 -258.758 -182.45 -60.0029 -182.449 -114.385 GPRESSURE: 2918800 -316.931 154.301 11.0039 220.959 -262.616 -173.629 -12.6834 -98.5905 -79.8547 PRESSAVG: 2918800 10.6226 59.0009 36.8342 59.001 -30.4021 52.6585 36.8342 52.6584 -15.756 GPRESSAVG: 2918800 10.3579 60.0102 37.5005 57.2542 -30.2343 52.1125 35.3576 55.1211 -15.456 TIMING: 2918800 CPU: 9217.81, 0.00316072/step Wall: 9217.81, 0.00316072/step, 1.82724 hours remaining, 237.253906 MB of memory in use. ENERGY: 2918800 4106.8968 20515.6967 14402.1210 242.4811 -203146.5311 2649.1553 0.0000 0.0000 52022.9183 -109207.2618 298.9764 -161230.1801 -108847.7176 299.5822 -254.9688 -219.8005 762455.6997 -11.8452 -11.7775 PRESSURE: 2919000 -156.886 -31.8102 46.6895 -31.8099 68.1475 61.9975 46.6899 61.9968 133.484 GPRESSURE: 2919000 -160.313 -11.3351 3.40108 -150.863 131.827 158.271 143.938 -69.9607 165.572 PRESSAVG: 2919000 -23.7807 15.8998 51.6081 15.8999 -5.94812 34.8597 51.608 34.8597 18.8502 GPRESSAVG: 2919000 -21.7368 15.829 50.2254 15.9585 -7.57212 35.254 52.1513 34.4151 18.0881 TIMING: 2919000 CPU: 9218.45, 0.00316644/step Wall: 9218.45, 0.00316645/step, 1.83038 hours remaining, 237.253906 MB of memory in use. ENERGY: 2919000 4045.2959 20624.5994 14472.4940 248.3643 -203203.8261 2671.4267 0.0000 0.0000 51886.6465 -109254.9993 298.1933 -161141.6458 -108897.2972 299.2797 14.9150 45.6952 761370.5374 -3.6262 -3.7403 PRESSURE: 2919200 -319.743 -48.6994 -9.95825 -48.6991 -146.316 53.0137 -9.95828 53.0137 -86.4668 GPRESSURE: 2919200 -232.735 42.296 -17.9678 -15.2624 -210.166 4.83501 -146.724 217.8 -13.2583 PRESSAVG: 2919200 -17.1906 -0.344726 37.4697 -0.34469 -15.7609 19.9264 37.4697 19.9264 -7.97196 GPRESSAVG: 2919200 -18.823 -0.755332 39.0341 -0.575929 -14.7336 18.5162 36.0547 18.9468 -7.03718 TIMING: 2919200 CPU: 9219.08, 0.0031549/step Wall: 9219.08, 0.0031549/step, 1.82353 hours remaining, 237.253906 MB of memory in use. ENERGY: 2919200 3993.8092 20476.1253 14434.8111 235.6499 -202645.5617 2402.9135 0.0000 0.0000 51817.8947 -109284.3580 297.7982 -161102.2527 -108912.7767 299.5308 -184.1752 -152.0530 764024.5099 -13.6412 -13.5313 PRESSURE: 2919400 -120.216 43.1363 138.221 43.1361 52.1778 -133.074 138.221 -133.074 202.913 GPRESSURE: 2919400 -133.997 55.5949 68.3582 112.586 114.704 -158.754 162.928 -33.4788 233.899 PRESSAVG: 2919400 -14.2345 24.4141 17.8786 24.4141 -7.73188 33.038 17.8786 33.038 2.2609 GPRESSAVG: 2919400 -14.622 23.9295 17.7009 25.5243 -7.46502 33.1484 19.9711 33.8239 2.02855 TIMING: 2919400 CPU: 9219.71, 0.00316668/step Wall: 9219.71, 0.00316668/step, 1.83016 hours remaining, 237.253906 MB of memory in use. ENERGY: 2919400 3949.6414 20522.2877 14380.6083 256.4518 -203230.9751 2559.2323 0.0000 0.0000 52185.0466 -109377.7069 299.9082 -161562.7535 -109018.1089 298.7415 44.9583 71.5354 760228.3285 -6.5685 -6.6862 PRESSURE: 2919600 312.854 41.406 -129.908 41.406 224.127 -60.0802 -129.908 -60.0793 34.6647 GPRESSURE: 2919600 345.067 65.7631 -145.695 -69.3659 245.087 -108.145 -146.756 -30.1884 79.6001 PRESSAVG: 2919600 7.67187 0.866352 9.28077 0.866296 11.5477 -25.083 9.28078 -25.0831 14.6296 GPRESSAVG: 2919600 7.95956 0.510233 10.4634 -0.19214 11.9907 -24.2667 7.06394 -24.4029 14.2334 TIMING: 2919600 CPU: 9220.34, 0.00315632/step Wall: 9220.34, 0.00315632/step, 1.824 hours remaining, 237.253906 MB of memory in use. ENERGY: 2919600 3937.4671 20550.8003 14363.7515 226.3498 -203202.2238 2630.1441 0.0000 0.0000 52190.5033 -109303.2077 299.9395 -161493.7110 -108942.6225 299.5429 190.5487 223.2514 761733.6547 11.2831 11.3945 PRESSURE: 2919800 113.384 -36.4919 -33.4434 -36.4918 -256.161 -95.476 -33.443 -95.4758 -13.1427 GPRESSURE: 2919800 204.67 -27.4853 -70.2577 -21.667 -247.222 -160.141 99.4396 -47.8846 -22.4614 PRESSAVG: 2919800 -41.3396 -13.0995 4.19089 -13.0994 67.9685 4.17477 4.19088 4.17476 0.168022 GPRESSAVG: 2919800 -40.9765 -11.5481 1.13156 -11.9516 66.962 3.25272 5.02893 3.46593 -0.0223574 TIMING: 2919800 CPU: 9220.97, 0.00316909/step Wall: 9220.97, 0.00316909/step, 1.83121 hours remaining, 237.253906 MB of memory in use. ENERGY: 2919800 3988.0914 20717.4660 14369.8605 228.6417 -202811.7389 2483.4976 0.0000 0.0000 51983.7178 -109040.4639 298.7511 -161024.1817 -108672.0709 299.7105 -51.9734 -21.6712 761373.1580 8.9323 8.6544 PRESSURE: 2920000 101.938 -96.1858 162.177 -96.1848 124.248 99.0702 162.178 99.07 -125.559 GPRESSURE: 2920000 196.725 -101.148 234.393 -115.756 77.1102 173.352 5.58302 12.2038 -82.7267 PRESSAVG: 2920000 -0.131151 -15.6637 14.7109 -15.6637 4.84208 -3.20697 14.7109 -3.20681 -24.116 GPRESSAVG: 2920000 -1.45496 -15.2513 15.076 -15.3837 5.39212 -4.10262 14.6624 0.934362 -22.9637 TIMING: 2920000 CPU: 9221.6, 0.00315008/step Wall: 9221.6, 0.00315008/step, 1.82005 hours remaining, 237.253906 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: 2920000 4026.8071 20466.8981 14509.5634 259.6697 -203048.1703 2567.7010 0.0000 0.0000 52184.5987 -109032.9324 299.9056 -161217.5311 -108670.4972 299.7450 33.5425 63.7027 761894.3133 -6.4684 -6.3422 PRESSURE: 2920200 -173.764 -50.0847 56.522 -50.0847 -68.8638 175.837 56.5213 175.838 354.443 GPRESSURE: 2920200 -154.841 -158.104 10.4422 80.4415 22.7825 147.366 -64.4021 127.677 325.468 PRESSAVG: 2920200 -34.7785 6.6992 4.4197 6.69922 17.2923 39.288 4.41966 39.288 -12.8355 GPRESSAVG: 2920200 -33.3997 5.8661 5.21505 6.48272 17.8634 40.588 3.30436 33.5278 -14.5993 TIMING: 2920200 CPU: 9222.24, 0.00316715/step Wall: 9222.24, 0.00316715/step, 1.82974 hours remaining, 237.253906 MB of memory in use. ENERGY: 2920200 3976.3681 20738.9562 14380.0883 240.5883 -203343.1099 2765.2959 0.0000 0.0000 52235.3355 -109006.4777 300.1972 -161241.8132 -108645.5551 300.1116 37.2718 64.4700 760821.1266 -10.1072 -10.0452 LDB: ============= START OF LOAD BALANCING ============== 9234.77 LDB: ============== END OF LOAD BALANCING =============== 9234.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9234.77 LDB: ============= START OF LOAD BALANCING ============== 9235.09 LDB: Largest compute 7026 load 0.033537 is 17.2% of average load 0.195468 LDB: Average compute 0.004402 is 2.3% of average load 0.195468 LDB: TIME 9235.09 LOAD: AVG 0.195468 MAX 0.216406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 9235.09 LOAD: AVG 0.195468 MAX 0.216406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: TIME 9235.09 LOAD: AVG 0.195468 MAX 0.216406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: ============== END OF LOAD BALANCING =============== 9235.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9235.1 PRESSURE: 2920400 -587.672 131.177 -105.15 131.176 -480.454 -234.453 -105.149 -234.453 -230.537 GPRESSURE: 2920400 -630.562 77.9036 -36.2293 139.782 -342.647 -196.176 -117.828 -180.516 -227.874 PRESSAVG: 2920400 -39.1332 -15.3286 28.754 -15.3287 63.3679 -29.5562 28.754 -29.5562 -2.55769 GPRESSAVG: 2920400 -40.8642 -15.3804 30.377 -15.7614 63.1916 -30.5903 30.2941 -28.3766 -0.669243 TIMING: 2920400 CPU: 9222.88, 0.00322369/step Wall: 9222.88, 0.00322369/step, 1.86222 hours remaining, 235.394531 MB of memory in use. ENERGY: 2920400 4020.5224 20487.6484 14385.0360 252.4954 -202742.6077 2165.8950 0.0000 0.0000 52282.4607 -109148.5499 300.4680 -161431.0106 -108775.5468 299.7372 -432.8879 -400.3611 764055.3984 7.2257 7.2194 PRESSURE: 2920600 -333.772 3.49582 144.469 3.49652 101.398 -108.668 144.468 -108.669 -152.529 GPRESSURE: 2920600 -220.827 48.7502 187.871 -143.844 61.5949 -110.243 214.41 -42.1412 -148.586 PRESSAVG: 2920600 -41.9382 -17.3109 28.361 -17.3109 13.074 -53.1771 28.3609 -53.1772 -8.5093 GPRESSAVG: 2920600 -39.6464 -15.3879 25.7313 -20.2371 12.3835 -50.6993 28.6961 -51.374 -10.3517 TIMING: 2920600 CPU: 9223.51, 0.00315203/step Wall: 9223.51, 0.00315203/step, 1.82065 hours remaining, 235.597656 MB of memory in use. ENERGY: 2920600 3997.1822 20668.5366 14422.5714 234.3492 -203274.0257 2745.0581 0.0000 0.0000 52097.7812 -109108.5468 299.4067 -161206.3281 -108748.4805 299.5804 -128.3014 -102.6060 762191.2218 -12.4578 -12.5382 PRESSURE: 2920800 108.992 -253.832 -113.765 -253.832 -136.679 151.462 -113.765 151.462 -36.5287 GPRESSURE: 2920800 239.717 -210.762 -125.877 -181.313 -123.559 111.463 -34.5534 157.778 -86.9065 PRESSAVG: 2920800 2.01607 8.39612 -10.9398 8.39614 40.3912 19.6618 -10.9398 19.6618 24.1663 GPRESSAVG: 2920800 2.0672 5.31941 -11.2867 12.016 40.4432 18.485 -11.1682 18.4081 23.9709 TIMING: 2920800 CPU: 9224.15, 0.00315861/step Wall: 9224.15, 0.00315861/step, 1.82428 hours remaining, 235.597656 MB of memory in use. ENERGY: 2920800 3999.8637 20418.9922 14444.8386 252.1596 -203533.7601 2793.3194 0.0000 0.0000 52573.1625 -109051.4241 302.1387 -161624.5865 -108673.1733 299.8434 -21.4051 9.7505 763578.3806 22.1912 22.1605 PRESSURE: 2921000 -170.128 71.1287 196.565 71.1296 -108.714 82.449 196.565 82.45 -230.302 GPRESSURE: 2921000 -117.098 125.235 222.996 97.0961 -13.5589 146.22 228.585 140.581 -288.037 PRESSAVG: 2921000 -14.4897 16.0177 -27.6822 16.0178 -7.66485 -14.4154 -27.6822 -14.4154 2.35232 GPRESSAVG: 2921000 -15.1326 19.6305 -26.5362 11.2025 -7.75211 -13.7387 -28.921 -14.9177 3.05784 TIMING: 2921000 CPU: 9224.78, 0.0031645/step Wall: 9224.78, 0.0031645/step, 1.8275 hours remaining, 235.597656 MB of memory in use. ENERGY: 2921000 4005.0144 20403.6361 14484.2916 249.1748 -203136.3497 2818.3531 0.0000 0.0000 52185.5726 -108990.3070 299.9112 -161175.8797 -108616.3900 299.9098 -169.7147 -139.5647 761139.3670 -6.6008 -6.6089 PRESSURE: 2921200 -89.6949 -59.7923 -101.438 -59.7922 160.722 -125.308 -101.437 -125.308 -30.8241 GPRESSURE: 2921200 -27.0668 -129.713 2.84184 -76.3125 149.09 -35.5822 -100.442 -131.552 -15.1834 PRESSAVG: 2921200 -55.5867 0.409244 21.5357 0.409205 57.8985 -30.924 21.5357 -30.9241 1.41761 GPRESSAVG: 2921200 -54.4995 -3.03816 21.6924 4.85184 56.387 -29.6917 22.603 -31.1078 1.70504 TIMING: 2921200 CPU: 9225.41, 0.00317096/step Wall: 9225.41, 0.00317096/step, 1.83105 hours remaining, 235.597656 MB of memory in use. ENERGY: 2921200 3916.0412 20471.5814 14434.2845 249.4096 -203075.3154 2826.5072 0.0000 0.0000 52076.5743 -109100.9171 299.2848 -161177.4915 -108727.7102 299.5714 13.4009 35.6132 762814.2973 1.2432 1.1975 PRESSURE: 2921400 -43.9026 -140.381 -14.4147 -140.381 -353.534 241.376 -14.4146 241.376 -701.288 GPRESSURE: 2921400 -33.6009 -39.6551 -59.3991 -220.85 -248.353 304.09 -84.3479 197.079 -723.988 PRESSAVG: 2921400 -14.0091 -7.2373 -4.86369 -7.23724 10.074 31.04 -4.86367 31.04 2.12593 GPRESSAVG: 2921400 -14.1406 -6.59419 -3.26087 -8.0117 10.2001 29.2649 -6.71827 31.8848 2.78925 TIMING: 2921400 CPU: 9226.04, 0.00315461/step Wall: 9226.04, 0.00315461/step, 1.82144 hours remaining, 235.597656 MB of memory in use. ENERGY: 2921400 4046.6724 20442.1461 14402.1443 236.1204 -203045.1312 2469.0445 0.0000 0.0000 52193.9336 -109255.0700 299.9593 -161449.0035 -108890.9774 299.6198 -366.2417 -335.3140 764607.2043 -0.6031 -0.3838 PRESSURE: 2921600 -89.3258 139.012 86.6568 139.011 -278.554 108.372 86.6564 108.372 324.522 GPRESSURE: 2921600 -108.092 136.141 82.3208 160.49 -210.929 141.954 132.462 110.656 348.216 PRESSAVG: 2921600 5.07218 -41.1508 8.785 -41.1508 32.2483 15.2594 8.78498 15.2593 -20.931 GPRESSAVG: 2921600 4.47579 -39.0991 5.60543 -42.0672 33.1354 16.9643 10.3831 15.6232 -20.8568 TIMING: 2921600 CPU: 9226.67, 0.00315107/step Wall: 9226.67, 0.00315107/step, 1.81922 hours remaining, 235.597656 MB of memory in use. ENERGY: 2921600 3995.8487 20531.7969 14409.5341 245.3039 -202874.7681 2471.8847 0.0000 0.0000 51857.3984 -109363.0015 298.0252 -161220.3998 -109007.1006 299.1545 -14.4525 9.7317 763771.0996 5.4631 5.5848 PRESSURE: 2921800 -255.54 116.108 -100.613 116.108 -373.854 6.71189 -100.611 6.71025 -172.553 GPRESSURE: 2921800 -235 145.565 -51.8891 88.9958 -359.634 11.527 -59.7877 27.4 -139.448 PRESSAVG: 2921800 23.6366 -4.74287 10.2741 -4.74287 -18.1064 -15.2588 10.2741 -15.2588 -25.3862 GPRESSAVG: 2921800 23.2257 -6.09613 10.9563 -4.26325 -18.3584 -14.5582 9.71951 -16.2581 -25.0956 TIMING: 2921800 CPU: 9227.31, 0.00316656/step Wall: 9227.31, 0.00316656/step, 1.82799 hours remaining, 235.597656 MB of memory in use. ENERGY: 2921800 4008.2012 20576.4237 14438.3044 231.8633 -202937.3277 2365.4331 0.0000 0.0000 52026.8777 -109290.2243 298.9992 -161317.1020 -108929.9490 298.8656 -267.3158 -244.6939 762671.2499 -6.6187 -6.7428 PRESSURE: 2922000 88.2618 -82.7955 47.9544 -82.7953 -12.3193 125.774 47.9551 125.775 -120.201 GPRESSURE: 2922000 114.693 -11.5988 68.0058 -53.3305 43.8456 190.546 -40.6516 27.6617 -116.467 PRESSAVG: 2922000 24.3478 -30.8051 -52.2979 -30.8051 -2.80759 24.7919 -52.2979 24.7919 -7.80579 GPRESSAVG: 2922000 24.1804 -29.3885 -51.1097 -29.2716 -3.19907 23.4294 -55.6207 25.1714 -7.47466 TIMING: 2922000 CPU: 9227.94, 0.00316345/step Wall: 9227.94, 0.00316345/step, 1.82601 hours remaining, 235.597656 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: 2922000 3962.2430 20639.4620 14431.8293 242.8235 -203254.7458 2709.7291 0.0000 0.0000 51974.2998 -109294.3592 298.6970 -161268.6589 -108925.6837 299.2825 -14.7529 14.0239 762426.2673 4.5781 4.5022 PRESSURE: 2922200 -295.946 -140.018 34.9278 -140.018 -123.373 87.3106 34.9269 87.3098 -322.406 GPRESSURE: 2922200 -185.481 -273.817 -39.1731 -94.8641 -86.5084 133.756 -10.5304 10.5803 -373.925 PRESSAVG: 2922200 -1.31976 -22.8629 -10.5772 -22.8628 -22.7216 -55.6815 -10.5772 -55.6815 -1.61624 GPRESSAVG: 2922200 -0.00922248 -23.3422 -10.3775 -24.8385 -23.2831 -57.7919 -10.4013 -55.6088 -2.24165 TIMING: 2922200 CPU: 9228.57, 0.00317728/step Wall: 9228.57, 0.00317728/step, 1.83382 hours remaining, 235.597656 MB of memory in use. ENERGY: 2922200 4005.7536 20517.6130 14459.1839 230.7165 -203470.4278 2671.3118 0.0000 0.0000 52190.6500 -109395.1991 299.9404 -161585.8490 -109030.7791 299.1443 -247.2418 -215.3049 761086.9635 -8.5525 -8.5113 PRESSURE: 2922400 -337.416 -231.634 0.593013 -231.635 -494.29 63.1439 0.593166 63.1449 -127.882 GPRESSURE: 2922400 -437.477 -214.581 -112.801 -267.413 -339.801 103.831 126.229 37.1354 -63.4377 PRESSAVG: 2922400 22.9504 -41.9925 -38.7032 -41.9925 1.5653 -4.86203 -38.7031 -4.862 -25.5699 GPRESSAVG: 2922400 21.7449 -42.1932 -40.1629 -43.0242 2.95536 -4.04455 -38.0933 -4.73777 -25.4254 TIMING: 2922400 CPU: 9229.21, 0.00315827/step Wall: 9229.21, 0.00315827/step, 1.82267 hours remaining, 235.597656 MB of memory in use. ENERGY: 2922400 3994.2868 20306.6009 14431.1295 243.4624 -202998.4806 2562.2651 0.0000 0.0000 52036.2626 -109424.4734 299.0531 -161460.7360 -109048.6019 298.7790 -319.8625 -280.2385 763136.8240 -0.3514 -0.2417 PRESSURE: 2922600 -188.504 157.138 312.45 157.139 -172.21 6.6887 312.451 6.68716 -211.485 GPRESSURE: 2922600 -187.489 132.484 311.3 43.5374 3.98435 -76.2627 159.595 -11.8361 -292.538 PRESSAVG: 2922600 75.3454 -3.95574 -44.3502 -3.9557 -38.1587 -10.1935 -44.3502 -10.1935 15.2472 GPRESSAVG: 2922600 75.9861 -3.35289 -44.1249 -2.13532 -37.7818 -10.4459 -43.9268 -9.46193 14.0931 TIMING: 2922600 CPU: 9229.84, 0.0031577/step Wall: 9229.84, 0.0031577/step, 1.82217 hours remaining, 235.597656 MB of memory in use. ENERGY: 2922600 4039.3299 20532.5278 14396.2586 234.5175 -202980.7691 2477.7062 0.0000 0.0000 51939.6720 -109360.7572 298.4980 -161300.4291 -108991.0581 299.4294 -190.7329 -158.6807 762739.5370 17.4780 17.4324 PRESSURE: 2922800 -53.3197 11.507 -94.3417 11.5056 111.396 -74.9451 -94.3416 -74.9433 -248.708 GPRESSURE: 2922800 -5.04548 87.9946 -109.115 60.4943 122.631 -45.5508 51.1972 -66.1178 -246.217 PRESSAVG: 2922800 -47.0909 -70.5446 8.4158 -70.5446 62.1226 -29.27 8.41582 -29.27 -6.94546 GPRESSAVG: 2922800 -46.7196 -71.7069 8.80078 -70.1781 61.5807 -29.4756 10.8851 -32.7458 -6.59175 TIMING: 2922800 CPU: 9230.47, 0.00317052/step Wall: 9230.47, 0.00317052/step, 1.82939 hours remaining, 235.597656 MB of memory in use. ENERGY: 2922800 4013.8787 20675.0372 14432.2046 242.6539 -203595.4744 2826.7290 0.0000 0.0000 52074.2906 -109330.6805 299.2717 -161404.9711 -108976.1506 299.2973 -63.5439 -42.8770 762577.8684 2.6954 2.7565 PRESSURE: 2923000 -564.148 197.967 -148.368 197.968 -140.434 -242.622 -148.369 -242.621 -233.224 GPRESSURE: 2923000 -472.708 277.38 -77.3245 264.232 -148.999 -249.186 -46.0301 -214.637 -245.53 PRESSAVG: 2923000 13.5783 -6.51791 18.9662 -6.51797 21.0556 -62.4212 18.9662 -62.4212 0.94715 GPRESSAVG: 2923000 14.6379 -5.94576 19.4878 -5.53115 19.5723 -61.1826 18.3211 -61.3824 1.33916 TIMING: 2923000 CPU: 9231.11, 0.00317567/step Wall: 9231.11, 0.00317567/step, 1.83219 hours remaining, 235.597656 MB of memory in use. ENERGY: 2923000 3988.4413 20514.1112 14447.1782 237.1195 -203442.4870 2774.3278 0.0000 0.0000 52008.4161 -109472.8929 298.8931 -161481.3091 -109100.2645 299.5134 -312.6020 -289.0790 762703.6866 11.8604 11.8498 PRESSURE: 2923200 151.49 -17.2216 -128.381 -17.2213 -152.962 -10.3664 -128.382 -10.3667 -78.7275 GPRESSURE: 2923200 112.039 -91.6332 -71.775 -116.243 -51.0081 68.7894 -29.5552 -41.7163 -55.5761 PRESSAVG: 2923200 -29.1148 -48.6307 34.5315 -48.6307 -8.3572 -56.2814 34.5315 -56.2814 -8.61105 GPRESSAVG: 2923200 -30.6078 -48.9047 33.5098 -49.9034 -6.49497 -57.0562 35.2904 -54.5794 -9.21728 TIMING: 2923200 CPU: 9231.74, 0.00316209/step Wall: 9231.74, 0.00316209/step, 1.82417 hours remaining, 235.597656 MB of memory in use. ENERGY: 2923200 3939.2449 20508.5645 14459.9909 236.3386 -203318.5240 2677.2858 0.0000 0.0000 52253.3146 -109243.7847 300.3005 -161497.0993 -108874.3002 298.7498 -26.7333 1.8183 762899.6422 -15.3610 -15.4400 PRESSURE: 2923400 286.964 136.299 -95.9757 136.298 177.044 -147.425 -95.9752 -147.425 536.333 GPRESSURE: 2923400 363.559 120.33 -98.6099 225.848 137.472 -177.057 -18.0806 6.57092 581.209 PRESSAVG: 2923400 -4.84728 -27.9762 -3.81009 -27.9762 13.1628 -39.0949 -3.81007 -39.0949 -6.60212 GPRESSAVG: 2923400 -2.97397 -26.285 -3.1106 -28.0058 11.5651 -39.2931 -5.39107 -40.5506 -6.86987 TIMING: 2923400 CPU: 9232.37, 0.00314954/step Wall: 9232.37, 0.00314954/step, 1.81676 hours remaining, 235.597656 MB of memory in use. ENERGY: 2923400 3973.0767 20591.9707 14445.4369 254.6365 -203231.3551 2746.3247 0.0000 0.0000 51837.8477 -109382.0617 297.9128 -161219.9095 -109030.6005 299.0817 333.4470 360.7465 762201.1767 0.5711 0.5737 PRESSURE: 2923600 -188.896 -35.5144 151.839 -35.5142 -26.8241 5.11164 151.839 5.11139 -489.925 GPRESSURE: 2923600 -107.351 34.7315 140.908 6.0885 -111.965 51.2739 188.214 32.7796 -409.083 PRESSAVG: 2923600 -29.3756 28.2713 -16.4012 28.2713 42.6406 24.5452 -16.4012 24.5452 5.83018 GPRESSAVG: 2923600 -30.9048 29.9312 -15.3057 28.6428 41.9004 25.5139 -16.5568 25.9512 7.62409 TIMING: 2923600 CPU: 9233, 0.00316294/step Wall: 9233, 0.00316294/step, 1.82432 hours remaining, 235.597656 MB of memory in use. ENERGY: 2923600 3895.4571 20617.6428 14419.8686 242.0212 -202919.5443 2240.2071 0.0000 0.0000 52120.5787 -109383.7687 299.5377 -161504.3475 -109018.0916 299.3357 -235.2153 -209.4663 761976.4447 6.3650 6.2066 PRESSURE: 2923800 -369.769 125.686 114.885 125.685 53.7437 -253.03 114.884 -253.03 -275.222 GPRESSURE: 2923800 -315.325 180.484 119.787 148.99 53.5299 -281.724 264.477 -125.717 -251.617 PRESSAVG: 2923800 -2.36584 2.3751 40.5694 2.37508 22.5581 -50.893 40.5694 -50.893 -7.99709 GPRESSAVG: 2923800 -2.61506 2.85138 39.9704 2.84255 24.0964 -50.9422 41.1346 -50.2014 -9.03866 TIMING: 2923800 CPU: 9233.63, 0.00315477/step Wall: 9233.63, 0.00315477/step, 1.81943 hours remaining, 235.597656 MB of memory in use. ENERGY: 2923800 3944.2034 20605.8951 14444.9370 246.6298 -203147.2536 2596.6020 0.0000 0.0000 51857.4342 -109451.5521 298.0254 -161308.9863 -109105.1199 299.2049 -197.0822 -171.1373 761017.4937 4.0651 4.1476 PRESSURE: 2924000 -26.8269 -124.273 262.574 -124.273 6.38002 193.958 262.574 193.959 380.202 GPRESSURE: 2924000 6.73661 -200.675 215.257 -105.833 -7.07022 53.4761 248.511 210.991 437.725 PRESSAVG: 2924000 0.741302 2.50845 12.9165 2.50846 32.3188 26.6932 12.9165 26.6932 18.2528 GPRESSAVG: 2924000 1.957 -0.631809 14.4736 2.92932 28.5382 26.9552 12.1864 25.8193 20.5878 TIMING: 2924000 CPU: 9234.26, 0.00314984/step Wall: 9234.26, 0.00314984/step, 1.81641 hours remaining, 235.855469 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: 2924000 3927.3659 20589.8055 14419.3644 246.9365 -203019.7654 2473.2702 0.0000 0.0000 52218.4907 -109144.5322 300.1004 -161363.0229 -108787.0159 299.5607 119.9185 145.7973 762435.2434 17.1043 17.0277 PRESSURE: 2924200 -14.1651 31.2018 -65.2 31.2015 -238.262 157.934 -65.2003 157.932 32.6726 GPRESSURE: 2924200 -55.0175 -52.8769 -49.3085 30.6341 -119.044 151.489 -43.8686 60.7472 43.6567 PRESSAVG: 2924200 -3.12441 19.051 15.254 19.0509 26.0514 -34.1564 15.254 -34.1564 15.8455 GPRESSAVG: 2924200 -4.77249 19.9167 12.5611 17.7915 28.5751 -35.605 13.8397 -33.3012 14.8051 TIMING: 2924200 CPU: 9234.9, 0.00317368/step Wall: 9234.9, 0.00317368/step, 1.82998 hours remaining, 235.855469 MB of memory in use. ENERGY: 2924200 4004.6869 20564.9800 14397.4486 241.7958 -202584.5904 2294.1501 0.0000 0.0000 51958.1900 -109123.3390 298.6044 -161081.5290 -108769.6980 299.6256 -73.2514 -43.4684 762521.5054 12.9242 12.8692 LDB: ============= START OF LOAD BALANCING ============== 9247.43 LDB: ============== END OF LOAD BALANCING =============== 9247.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9247.43 LDB: ============= START OF LOAD BALANCING ============== 9247.75 LDB: Largest compute 7059 load 0.031194 is 16.0% of average load 0.195483 LDB: Average compute 0.004371 is 2.2% of average load 0.195483 LDB: TIME 9247.75 LOAD: AVG 0.195483 MAX 0.217712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 9247.76 LOAD: AVG 0.195483 MAX 0.217712 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: TIME 9247.76 LOAD: AVG 0.195483 MAX 0.217712 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: ============== END OF LOAD BALANCING =============== 9247.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9247.76 PRESSURE: 2924400 -9.05087 413.633 -227.241 413.632 -21.6546 -126.487 -227.241 -126.487 -5.81778 GPRESSURE: 2924400 93.5628 351.1 -237.515 308.701 -26.5659 -68.5125 -135.625 -259.961 -20.7741 PRESSAVG: 2924400 31.4859 33.9952 41.473 33.9951 -10.6144 -37.1933 41.473 -37.1933 -7.48758 GPRESSAVG: 2924400 31.5076 33.9997 42.9893 33.1189 -9.73018 -37.8618 43.3664 -38.3558 -7.67712 TIMING: 2924400 CPU: 9235.55, 0.00323756/step Wall: 9235.55, 0.00323756/step, 1.86663 hours remaining, 235.906250 MB of memory in use. ENERGY: 2924400 3991.2168 20421.4327 14424.1258 250.6160 -202903.3266 2384.5418 0.0000 0.0000 52149.6353 -109281.7582 299.7047 -161431.3935 -108917.7029 299.3243 -12.1744 15.4076 762555.9060 4.4613 4.7001 PRESSURE: 2924600 -260.689 191.253 41.8396 191.252 -502.553 175.783 41.8392 175.783 -61.2602 GPRESSURE: 2924600 -356.551 126.805 23.0425 118.227 -354.73 146.885 97.9742 109.706 -40.4725 PRESSAVG: 2924600 68.1291 0.979484 -13.7215 0.979432 -36.2703 -8.76805 -13.7216 -8.76807 -12.6525 GPRESSAVG: 2924600 68.2903 1.8065 -14.3788 2.22487 -36.5698 -7.80499 -13.6668 -10.479 -12.8 TIMING: 2924600 CPU: 9236.18, 0.00317019/step Wall: 9236.18, 0.00317019/step, 1.82761 hours remaining, 235.906250 MB of memory in use. ENERGY: 2924600 3979.6330 20607.3618 14387.4172 225.9565 -202992.8350 2434.4347 0.0000 0.0000 52003.9140 -109354.1178 298.8672 -161358.0318 -108990.1309 299.4776 -274.8341 -250.5845 762453.9356 6.4021 6.3068 PRESSURE: 2924800 232.686 -20.0215 313.886 -20.0216 -94.0771 -90.829 313.886 -90.8281 -41.7926 GPRESSURE: 2924800 214.565 89.2468 282.307 -66.5295 -39.6993 -58.8015 204.16 -108.163 18.9996 PRESSAVG: 2924800 28.585 23.1768 -9.54482 23.1767 -52.4775 11.0742 -9.54482 11.0742 9.21535 GPRESSAVG: 2924800 28.463 23.1719 -11.1129 23.6865 -52.5015 10.183 -10.0203 14.1729 9.7222 TIMING: 2924800 CPU: 9236.81, 0.00316731/step Wall: 9236.81, 0.00316731/step, 1.82578 hours remaining, 235.906250 MB of memory in use. ENERGY: 2924800 3975.8081 20492.0776 14490.1224 247.7751 -203181.1763 2400.2498 0.0000 0.0000 52080.7552 -109494.3882 299.3088 -161575.1433 -109135.8897 298.5948 32.2720 64.6218 761146.2320 -4.8924 -4.7721 PRESSURE: 2925000 -346.053 175.727 220.309 175.726 6.60944 217.178 220.308 217.178 -160.676 GPRESSURE: 2925000 -337.558 78.1763 260.921 200.454 125.698 234.132 137.616 266.228 -189.991 PRESSAVG: 2925000 -24.552 -0.403259 8.26162 -0.403307 -29.0589 20.3269 8.2616 20.3269 8.27208 GPRESSAVG: 2925000 -23.8022 -2.25011 10.8925 -0.261791 -29.6991 20.2187 6.98083 20.788 8.26549 TIMING: 2925000 CPU: 9237.45, 0.00317326/step Wall: 9237.45, 0.00317326/step, 1.82903 hours remaining, 235.906250 MB of memory in use. ENERGY: 2925000 4029.6655 20578.0786 14409.8838 282.7496 -203224.4417 2596.5286 0.0000 0.0000 51621.5011 -109706.0344 296.6695 -161327.5356 -109351.1329 298.5116 -166.7064 -133.9502 762787.9331 -15.1129 -15.0786 PRESSURE: 2925200 39.058 95.1178 107.33 95.1178 -129.39 7.89854 107.33 7.89946 125.345 GPRESSURE: 2925200 99.9869 -53.9514 123.167 106.403 -151.47 -29.4581 55.0312 20.0422 177.095 PRESSAVG: 2925200 37.795 -14.1921 31.5977 -14.1921 -44.5116 -38.4985 31.5977 -38.4985 -2.48039 GPRESSAVG: 2925200 37.2733 -11.9087 30.5794 -15.1028 -44.3056 -39.4072 29.1823 -36.5418 -2.5373 TIMING: 2925200 CPU: 9238.08, 0.00317062/step Wall: 9238.08, 0.00317062/step, 1.82733 hours remaining, 235.906250 MB of memory in use. ENERGY: 2925200 4005.7577 20395.3348 14390.0440 262.1234 -203280.8205 2627.2525 0.0000 0.0000 51908.5414 -109691.7667 298.3191 -161600.3080 -109327.9612 298.6088 11.6713 41.8707 761800.2984 -3.0657 -3.1899 PRESSURE: 2925400 -62.9293 -126.353 -82.21 -126.352 -247.282 23.4963 -82.2095 23.4948 -14.4079 GPRESSURE: 2925400 -108.56 99.3511 -122.275 -116.778 -185.427 79.9329 -45.6605 -10.6986 53.6971 PRESSAVG: 2925400 -46.3182 -7.29651 -23.7054 -7.29658 3.05172 20.777 -23.7055 20.777 -6.37734 GPRESSAVG: 2925400 -46.1313 -6.89036 -23.7621 -7.20869 3.8029 22.1237 -20.2274 16.7309 -7.49975 TIMING: 2925400 CPU: 9238.71, 0.00314711/step Wall: 9238.71, 0.00314711/step, 1.81361 hours remaining, 235.906250 MB of memory in use. ENERGY: 2925400 4136.7359 20670.3270 14485.4877 253.5141 -203464.3021 2505.0657 0.0000 0.0000 51627.4378 -109785.7340 296.7036 -161413.1718 -109432.1273 298.4005 -108.2062 -80.0969 763548.2062 -16.5480 -16.6094 PRESSURE: 2925600 -1.79883 -52.4021 196.549 -52.4026 -83.324 -210.689 196.548 -210.689 107.314 GPRESSURE: 2925600 120.121 32.6304 143.76 21.5904 -140.84 -271.514 102.258 -74.0181 143.179 PRESSAVG: 2925600 -5.2472 -7.10425 -45.784 -7.10424 13.917 26.0722 -45.784 26.0722 16.7078 GPRESSAVG: 2925600 -5.07446 -8.13542 -46.7144 -5.78242 13.1054 25.9981 -46.833 27.4838 17.7686 TIMING: 2925600 CPU: 9239.34, 0.00316692/step Wall: 9239.34, 0.00316692/step, 1.82485 hours remaining, 235.906250 MB of memory in use. ENERGY: 2925600 4061.6692 20494.0726 14448.7015 226.0918 -203396.9863 2537.1071 0.0000 0.0000 51888.7736 -109740.5705 298.2055 -161629.3441 -109386.6502 298.2591 7.3971 40.8199 761337.8648 8.4592 8.5999 PRESSURE: 2925800 -204.898 0.150228 -183.491 0.15026 -120.312 -149.494 -183.49 -149.494 30.7052 GPRESSURE: 2925800 -120.822 -6.05921 -189.324 20.6248 -105.295 -85.2333 -65.2685 -45.5967 14.7648 PRESSAVG: 2925800 13.9591 -5.70899 -18.8651 -5.70899 0.659228 -52.0892 -18.865 -52.0893 -28.6956 GPRESSAVG: 2925800 14.2942 -4.52995 -17.3347 -7.44875 0.330308 -50.2902 -18.3039 -50.4352 -28.7426 TIMING: 2925800 CPU: 9239.98, 0.00315603/step Wall: 9239.98, 0.00315603/step, 1.8184 hours remaining, 235.906250 MB of memory in use. ENERGY: 2925800 3996.4026 20616.3514 14370.1085 230.0845 -203385.3692 2451.1131 0.0000 0.0000 52065.9460 -109655.3632 299.2237 -161721.3092 -109290.5547 298.6741 -98.1681 -70.4508 759346.2169 -4.6924 -4.7060 PRESSURE: 2926000 -77.452 47.5371 87.8305 47.5374 -285.578 283.62 87.8289 283.619 470.162 GPRESSURE: 2926000 -121.011 34.876 61.8066 30.4239 -290.595 255.08 102.109 237.044 576.654 PRESSAVG: 2926000 3.18888 -27.371 2.66529 -27.371 -36.2187 -17.1932 2.66528 -17.1932 -6.94845 GPRESSAVG: 2926000 1.90554 -27.9158 0.335078 -26.2982 -35.1601 -19.223 2.58157 -17.0955 -6.79142 TIMING: 2926000 CPU: 9240.61, 0.00315606/step Wall: 9240.61, 0.00315605/step, 1.81824 hours remaining, 235.906250 MB of memory 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 4088.0926 20546.8595 14355.9854 249.1609 -203305.2985 2592.4224 0.0000 0.0000 51783.7693 -109689.0084 297.6020 -161472.7777 -109337.2498 298.8003 35.7104 55.0162 761906.2195 -13.3261 -13.3487 PRESSURE: 2926200 -89.5736 40.4726 88.958 40.4726 -168.663 -6.87742 88.9585 -6.87729 369.239 GPRESSURE: 2926200 -25.9597 -96.4844 98.6365 31.4247 -105.751 -49.7922 37.803 96.3427 338.219 PRESSAVG: 2926200 17.4889 39.9744 23.8878 39.9745 -4.75345 17.2249 23.8878 17.2249 42.1161 GPRESSAVG: 2926200 19.3662 39.3005 24.9455 39.6934 -6.27215 17.8539 21.8741 15.3208 42.194 TIMING: 2926200 CPU: 9241.24, 0.00316071/step Wall: 9241.24, 0.00316071/step, 1.82075 hours remaining, 235.906250 MB of memory in use. ENERGY: 2926200 3990.1668 20521.6338 14452.8153 237.6451 -203363.1726 2658.4168 0.0000 0.0000 52002.2392 -109500.2556 298.8576 -161502.4947 -109147.4162 298.5821 37.0009 68.8360 760981.9447 18.2838 18.4293 PRESSURE: 2926400 -261.327 89.4585 -250.789 89.4591 16.4185 -24.4174 -250.789 -24.4163 246.632 GPRESSURE: 2926400 -231.187 31.9196 -297.336 117.319 23.6555 39.2827 -139.25 -110.941 302.621 PRESSAVG: 2926400 -3.89422 -9.10308 -9.75963 -9.10303 6.04865 -31.1048 -9.75966 -31.1048 6.4291 GPRESSAVG: 2926400 -4.65404 -10.0157 -7.77215 -9.14045 6.2561 -31.1024 -9.37056 -30.8048 7.20998 TIMING: 2926400 CPU: 9241.87, 0.00316228/step Wall: 9241.87, 0.00316228/step, 1.82147 hours remaining, 235.906250 MB of memory in use. ENERGY: 2926400 3941.9263 20587.5426 14368.9228 237.3214 -203330.5656 2535.9542 0.0000 0.0000 52280.4557 -109378.4427 300.4565 -161658.8984 -109011.5200 299.9918 0.5743 31.6965 760525.8449 2.8612 2.9373 PRESSURE: 2926600 30.8034 -31.7128 -1.09437 -31.7132 -235.474 97.4346 -1.09468 97.434 81.6767 GPRESSURE: 2926600 23.466 4.34047 84.1734 4.74006 -174.216 75.1479 -132.139 55.2836 117.982 PRESSAVG: 2926600 5.59535 17.7031 42.4354 17.703 -11.3042 -33.3435 42.4354 -33.3435 18.4121 GPRESSAVG: 2926600 4.58481 17.723 40.7658 18.1977 -9.92953 -33.1108 44.5173 -33.2752 18.2732 TIMING: 2926600 CPU: 9242.5, 0.00315952/step Wall: 9242.5, 0.00315952/step, 1.81971 hours remaining, 235.906250 MB of memory in use. ENERGY: 2926600 4034.5860 20409.7004 14340.6083 251.6588 -203617.9527 2878.0846 0.0000 0.0000 52310.0263 -109393.2883 300.6264 -161703.3146 -109015.7179 299.6768 -40.9979 -10.9228 759733.5148 4.2344 4.3095 PRESSURE: 2926800 17.3768 -214.613 150.063 -214.613 47.3212 -123.277 150.063 -123.277 -164.039 GPRESSURE: 2926800 128.056 -117.397 62.7992 -192.671 35.8411 -160.873 139.918 -102.296 -180.144 PRESSAVG: 2926800 -0.683972 12.5833 -38.4422 12.5833 22.4967 -0.135661 -38.4422 -0.135658 25.7992 GPRESSAVG: 2926800 0.854419 12.3256 -39.57 10.9518 21.0923 -0.425513 -39.6105 -0.0540374 25.8319 TIMING: 2926800 CPU: 9243.13, 0.00313735/step Wall: 9243.13, 0.00313735/step, 1.80676 hours remaining, 235.906250 MB of memory in use. ENERGY: 2926800 3973.7321 20428.4713 14466.1116 239.9867 -203171.4077 2661.8048 0.0000 0.0000 52071.5183 -109329.7829 299.2557 -161401.3012 -108966.1958 299.3765 -33.1136 -5.4159 760343.5810 15.8706 15.9262 PRESSURE: 2927000 -415.069 -82.9218 211.242 -82.9211 91.8815 -46.9601 211.242 -46.9609 -362.861 GPRESSURE: 2927000 -324.656 -178.913 225.909 -95.9142 102.313 -46.7095 325.307 -104.192 -380.906 PRESSAVG: 2927000 -58.9449 -88.4188 23.2994 -88.4189 39.5469 35.968 23.2994 35.968 12.8603 GPRESSAVG: 2927000 -58.9719 -87.7929 24.3709 -86.8312 39.8831 35.5217 24.9578 34.7555 13.0592 TIMING: 2927000 CPU: 9243.76, 0.00315466/step Wall: 9243.76, 0.00315466/step, 1.81656 hours remaining, 235.906250 MB of memory in use. ENERGY: 2927000 4071.4132 20612.0681 14465.9251 263.5405 -203224.9317 2535.2262 0.0000 0.0000 52106.1828 -109170.5758 299.4549 -161276.7586 -108801.3302 299.7601 -228.6829 -201.0828 762232.2725 -2.1792 -2.0099 PRESSURE: 2927200 -26.0527 -141.317 242.409 -141.317 -367.624 127.971 242.408 127.971 -647.288 GPRESSURE: 2927200 -16.5076 -118.349 281.805 -236.02 -397.711 72.9697 32.3738 194.458 -540.503 PRESSAVG: 2927200 -45.2026 39.662 20.1812 39.662 60.9063 -6.09654 20.1812 -6.09653 -10.4085 GPRESSAVG: 2927200 -45.6397 37.2312 20.6656 39.1764 60.9873 -6.02942 20.3104 -2.94948 -10.3877 TIMING: 2927200 CPU: 9244.39, 0.00315107/step Wall: 9244.39, 0.00315107/step, 1.81432 hours remaining, 235.906250 MB of memory in use. ENERGY: 2927200 3983.2320 20716.7731 14385.8543 257.9828 -203324.5700 2619.2594 0.0000 0.0000 52046.6629 -109314.8054 299.1129 -161361.4683 -108954.8462 299.3486 -346.9885 -318.2406 761839.9183 1.7651 1.6533 PRESSURE: 2927400 -295.059 152.347 144.435 152.347 -186.597 8.81903 144.435 8.81937 -491.853 GPRESSURE: 2927400 -266.634 119.716 97.9798 184.549 -174.611 56.4041 160.332 -58.434 -440.06 PRESSAVG: 2927400 39.5963 33.9289 17.3685 33.9289 -60.9417 17.7702 17.3685 17.7701 29.5799 GPRESSAVG: 2927400 40.0993 37.0836 17.0113 32.3699 -61.522 18.3484 17.3127 14.6488 30.2281 TIMING: 2927400 CPU: 9245.02, 0.00315374/step Wall: 9245.02, 0.00315374/step, 1.81568 hours remaining, 235.906250 MB of memory in use. ENERGY: 2927400 4086.5171 20654.1756 14419.7442 238.8624 -203217.1656 2323.7855 0.0000 0.0000 52253.9944 -109240.0863 300.3044 -161494.0808 -108876.7701 299.5593 -324.5026 -293.7683 761806.3172 2.7449 2.9351 PRESSURE: 2927600 14.2409 120.99 -115.841 120.989 191.623 213.771 -115.841 213.771 23.8427 GPRESSURE: 2927600 97.6059 166.575 -106.95 -54.5884 187.46 226.234 -82.2609 186.07 44.731 PRESSAVG: 2927600 -25.4132 29.6864 24.6101 29.6864 20.9272 -26.2536 24.6102 -26.2536 3.27474 GPRESSAVG: 2927600 -26.1779 29.1273 25.0528 31.7002 22.9448 -25.8578 24.6491 -26.1741 2.40257 TIMING: 2927600 CPU: 9245.66, 0.00317095/step Wall: 9245.66, 0.00317094/step, 1.82541 hours remaining, 235.906250 MB of memory in use. ENERGY: 2927600 3979.9826 20633.2816 14499.5320 259.1089 -203546.3940 2874.2140 0.0000 0.0000 51965.6192 -109334.6556 298.6471 -161300.2748 -108976.6522 299.6776 76.5687 109.9324 762632.4094 -0.4037 -0.2769 PRESSURE: 2927800 27.514 111.804 -158.869 111.805 220.932 207.101 -158.869 207.102 -200.311 GPRESSURE: 2927800 111.277 23.2802 -104.347 -10.0223 148.724 257.372 -1.46103 228.575 -99.8274 PRESSAVG: 2927800 65.0129 1.09012 44.1851 1.09011 -47.2048 15.6476 44.1852 15.6477 26.9578 GPRESSAVG: 2927800 64.6488 3.84973 42.962 -1.8035 -46.8246 16.9004 43.7951 16.7809 27.4933 TIMING: 2927800 CPU: 9246.29, 0.00315455/step Wall: 9246.29, 0.00315455/step, 1.81579 hours remaining, 235.906250 MB of memory in use. ENERGY: 2927800 4158.7397 20489.7100 14362.0886 235.6172 -203775.7163 2999.7648 0.0000 0.0000 52347.9850 -109181.8110 300.8446 -161529.7960 -108806.4552 299.7974 16.0449 53.3913 762826.2097 14.9220 15.1059 PRESSURE: 2928000 -239.365 51.7772 -108.312 51.7776 -385.252 10.7292 -108.312 10.7292 -251.751 GPRESSURE: 2928000 -254.553 89.8969 -38.7978 0.670744 -292.95 2.89348 -111.493 -110.785 -262.192 PRESSAVG: 2928000 17.3721 25.7179 -0.410644 25.718 -19.6739 -9.07828 -0.410606 -9.0783 -20.7237 GPRESSAVG: 2928000 17.7188 22.0972 0.982758 28.7283 -19.7348 -11.8292 -2.01432 -9.00974 -21.2511 TIMING: 2928000 CPU: 9246.92, 0.00314651/step Wall: 9246.92, 0.00314651/step, 1.81099 hours remaining, 235.906250 MB of memory 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 4087.5132 20756.8155 14390.9915 243.6505 -203100.6901 2429.7129 0.0000 0.0000 51877.7761 -109314.2303 298.1423 -161192.0064 -108957.2130 299.4920 -292.1228 -269.8981 763333.1776 -7.6752 -7.7557 PRESSURE: 2928200 -141.702 -40.4681 -58.5967 -40.4679 -196.993 -29.4944 -58.5965 -29.4953 -453.249 GPRESSURE: 2928200 -101.403 62.2025 -109.062 5.60978 -173.536 -69.6338 -120.952 33.0064 -430.744 PRESSAVG: 2928200 44.7312 -5.55332 14.6878 -5.55334 -38.2801 -68.7325 14.6878 -68.7326 4.67128 GPRESSAVG: 2928200 45.7705 -5.22667 15.4961 -6.11417 -39.6295 -65.1016 15.9189 -71.0114 4.88892 TIMING: 2928200 CPU: 9247.55, 0.00315509/step Wall: 9247.55, 0.00315509/step, 1.81576 hours remaining, 235.906250 MB of memory in use. ENERGY: 2928200 4013.1566 20521.5444 14411.8582 249.0291 -202861.7294 2227.5488 0.0000 0.0000 52274.1987 -109164.3937 300.4205 -161438.5923 -108805.7594 299.5556 -263.9815 -235.2276 760717.1446 3.7075 3.6766 LDB: ============= START OF LOAD BALANCING ============== 9260.08 LDB: ============== END OF LOAD BALANCING =============== 9260.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9260.08 LDB: ============= START OF LOAD BALANCING ============== 9260.4 LDB: Largest compute 7026 load 0.032014 is 16.4% of average load 0.195411 LDB: Average compute 0.004402 is 2.3% of average load 0.195411 LDB: TIME 9260.4 LOAD: AVG 0.195411 MAX 0.215607 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 9260.41 LOAD: AVG 0.195411 MAX 0.215607 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 9260.41 LOAD: AVG 0.195411 MAX 0.215607 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 9260.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9260.41 PRESSURE: 2928400 -108.489 170.036 62.0882 170.037 95.8033 3.59396 62.0885 3.59257 -99.7447 GPRESSURE: 2928400 -82.7914 121.393 126.709 268.592 189.81 -38.8872 -12.1412 -114.496 -134.69 PRESSAVG: 2928400 37.2221 7.35188 -7.3739 7.35187 -44.6053 -23.9327 -7.37389 -23.9326 13.6146 GPRESSAVG: 2928400 35.8605 8.89383 -10.4903 7.89466 -42.9114 -28.0297 -6.81673 -20.6116 13.6161 TIMING: 2928400 CPU: 9248.2, 0.00323749/step Wall: 9248.2, 0.00323749/step, 1.863 hours remaining, 235.074219 MB of memory in use. ENERGY: 2928400 4038.8957 20596.8912 14383.4791 244.2234 -203550.7031 2841.2302 0.0000 0.0000 52183.4607 -109262.5229 299.8991 -161445.9836 -108902.9726 299.6593 -37.4769 -9.2235 761316.5368 2.0771 2.1884 PRESSURE: 2928600 -189.695 10.9698 -143.588 10.9694 -22.4353 163.99 -143.588 163.99 33.0761 GPRESSURE: 2928600 -143.077 18.9468 -208.631 71.827 -28.6535 151.84 -127.29 162.119 64.2477 PRESSAVG: 2928600 21.4778 5.25637 61.9226 5.25638 5.38517 -1.92443 61.9226 -1.92446 1.54356 GPRESSAVG: 2928600 22.3417 3.16407 63.4146 4.71855 4.56562 -0.607368 60.0885 -3.78937 1.46854 TIMING: 2928600 CPU: 9248.83, 0.0031674/step Wall: 9248.83, 0.0031674/step, 1.82249 hours remaining, 235.140625 MB of memory in use. ENERGY: 2928600 4036.0812 20569.9974 14431.5548 236.3944 -203088.3028 2282.4718 0.0000 0.0000 52165.9267 -109365.8764 299.7983 -161531.8032 -109002.2177 299.7173 -59.6847 -35.8277 763218.5452 9.4689 9.4586 PRESSURE: 2928800 20.5934 162.305 -40.7001 162.304 14.5184 18.3079 -40.7006 18.3075 105.453 GPRESSURE: 2928800 42.2393 173.924 -20.6204 137.219 24.7335 -18.3237 -0.358341 -14.613 155.127 PRESSAVG: 2928800 13.2959 37.1085 -20.9446 37.1085 29.8355 5.88556 -20.9446 5.8856 -3.54629 GPRESSAVG: 2928800 12.1088 40.3894 -20.6338 35.6269 30.6267 5.44821 -19.1648 7.61391 -2.97114 TIMING: 2928800 CPU: 9249.46, 0.00316688/step Wall: 9249.46, 0.00316688/step, 1.82201 hours remaining, 235.210938 MB of memory in use. ENERGY: 2928800 3904.9455 20441.7664 14420.1298 233.8942 -203573.9280 2896.3238 0.0000 0.0000 52179.7469 -109497.1214 299.8777 -161676.8683 -109131.3668 299.4432 46.8549 74.0333 760720.1686 13.1950 13.2548 PRESSURE: 2929000 303.593 -234.281 95.7453 -234.281 35.8505 3.08618 95.7456 3.08715 -14.4847 GPRESSURE: 2929000 222.419 -163.06 155.918 -255.215 185.2 26.1994 -44.3589 -0.463477 -16.9351 PRESSAVG: 2929000 10.5667 26.1545 -2.75265 26.1545 -22.0293 5.47759 -2.75264 5.47765 -23.6401 GPRESSAVG: 2929000 10.7387 22.5961 -2.85785 30.3435 -21.6017 3.89892 -3.53234 4.5815 -23.6912 TIMING: 2929000 CPU: 9250.09, 0.00315019/step Wall: 9250.09, 0.00315019/step, 1.81224 hours remaining, 235.210938 MB of memory in use. ENERGY: 2929000 3890.4889 20456.6218 14448.0507 224.5389 -203123.0646 2645.1956 0.0000 0.0000 52031.4429 -109426.7257 299.0254 -161458.1686 -109060.5561 298.7545 108.3194 130.2280 762258.1538 -11.7009 -11.5181 PRESSURE: 2929200 148.253 55.2289 376.919 55.2276 343.471 54.3036 376.92 54.3041 222.458 GPRESSURE: 2929200 231.009 -36.9407 328.481 183.3 335.949 37.8565 381.764 152.043 226.959 PRESSAVG: 2929200 18.5821 -23.9421 29.2217 -23.9422 -12.8118 -8.74387 29.2217 -8.74385 -12.1979 GPRESSAVG: 2929200 18.1478 -22.334 30.2085 -25.9012 -11.7884 -5.55414 28.0812 -8.04229 -12.5609 TIMING: 2929200 CPU: 9250.72, 0.00314293/step Wall: 9250.72, 0.00314293/step, 1.80788 hours remaining, 235.210938 MB of memory in use. ENERGY: 2929200 3937.2746 20523.1691 14452.9246 232.5851 -203151.1530 2620.0262 0.0000 0.0000 51908.3607 -109476.8128 298.3181 -161385.1735 -109117.7583 298.9720 238.0607 264.6392 761306.7426 -2.1425 -2.0672 PRESSURE: 2929400 -186.385 172.535 -138.921 172.535 -9.21647 -178.697 -138.92 -178.696 -57.0831 GPRESSURE: 2929400 -189.866 55.7709 -165.669 76.8298 65.0571 -167.22 -195.578 5.10602 -53.2766 PRESSAVG: 2929400 8.02814 5.57846 -14.9008 5.57847 -12.4428 -34.2731 -14.9007 -34.2732 -19.1051 GPRESSAVG: 2929400 9.52284 4.64637 -15.9137 5.37818 -14.2226 -34.8396 -14.1838 -34.7033 -18.4842 TIMING: 2929400 CPU: 9251.35, 0.0031474/step Wall: 9251.35, 0.0031474/step, 1.81028 hours remaining, 235.210938 MB of memory in use. ENERGY: 2929400 3974.7941 20507.8834 14416.8700 248.9672 -203589.7105 2742.8446 0.0000 0.0000 52055.1156 -109643.2355 299.1615 -161698.3511 -109282.5577 298.6883 -84.2283 -59.3619 760793.2887 -7.8399 -7.7280 PRESSURE: 2929600 60.4425 -220.492 94.4495 -220.492 -39.2849 322.202 94.4494 322.201 -31.5967 GPRESSURE: 2929600 119.871 -276.778 155.633 -241.321 -41.2266 313.006 50.8167 263.919 41.048 PRESSAVG: 2929600 48.7202 -55.7786 23.7631 -55.7787 -15.413 -23.5771 23.7632 -23.577 1.93763 GPRESSAVG: 2929600 48.5475 -56.2086 25.2954 -55.6797 -14.4878 -22.761 22.1788 -24.7018 1.32967 TIMING: 2929600 CPU: 9251.98, 0.00314887/step Wall: 9251.98, 0.00314887/step, 1.81095 hours remaining, 235.210938 MB of memory in use. ENERGY: 2929600 3951.4514 20374.2379 14503.8913 256.5260 -203345.3497 2638.1987 0.0000 0.0000 52011.0596 -109609.9849 298.9083 -161621.0445 -109245.5365 298.6067 -3.4797 39.8974 761828.4308 11.7483 11.7964 PRESSURE: 2929800 191.172 -76.3125 -327.552 -76.3124 23.8119 -155.096 -327.551 -155.097 105.895 GPRESSURE: 2929800 157.306 -123.428 -392.243 -44.454 105.355 -183.09 -224.451 -181.198 164.259 PRESSAVG: 2929800 48.2367 -31.0875 9.95371 -31.0875 -59.3741 -29.3559 9.95378 -29.3559 -5.75359 GPRESSAVG: 2929800 47.4471 -29.915 8.97868 -32.2228 -58.7171 -32.7634 12.8878 -26.5024 -5.72264 TIMING: 2929800 CPU: 9252.61, 0.00314262/step Wall: 9252.61, 0.00314262/step, 1.80718 hours remaining, 235.210938 MB of memory in use. ENERGY: 2929800 3937.2614 20457.4486 14467.5357 237.9023 -203311.5801 2672.8874 0.0000 0.0000 52147.8291 -109390.7156 299.6943 -161538.5447 -109024.8810 298.8745 106.9596 142.3067 763377.8132 -5.6303 -5.6642 PRESSURE: 2930000 -202.213 99.4644 28.5379 99.4648 -78.0415 -179.469 28.5385 -179.47 1.79138 GPRESSURE: 2930000 -169.675 161.142 -21.9268 111.851 -34.3152 -92.6193 104.368 -145.154 -0.923803 PRESSAVG: 2930000 31.9504 -29.9888 5.1516 -29.9887 -24.4266 52.6612 5.15158 52.6612 1.65028 GPRESSAVG: 2930000 33.0621 -29.2159 5.20144 -29.0945 -24.4915 54.9328 6.30645 51.9651 1.04179 TIMING: 2930000 CPU: 9253.24, 0.00316187/step Wall: 9253.24, 0.00316187/step, 1.81808 hours remaining, 235.210938 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: 2930000 3975.8604 20526.9135 14361.9429 228.5053 -203013.5809 2537.7419 0.0000 0.0000 52075.4385 -109307.1784 299.2783 -161382.6169 -108932.6267 299.0006 -92.8211 -68.3046 763671.5961 3.0580 3.2041 PRESSURE: 2930200 130.59 52.7821 9.93662 52.783 -160.62 -183.415 9.9365 -183.416 13.1541 GPRESSURE: 2930200 83.7193 4.43827 88.9555 -2.21097 -0.89495 -159.521 -47.9495 -95.4635 -23.4417 PRESSAVG: 2930200 30.8365 17.4576 -18.858 17.4576 14.8872 11.8601 -18.858 11.8601 -0.599977 GPRESSAVG: 2930200 30.6254 16.3214 -19.0905 15.8697 14.4578 11.5541 -19.5657 12.4335 0.0302283 TIMING: 2930200 CPU: 9253.87, 0.00316288/step Wall: 9253.87, 0.00316288/step, 1.81848 hours remaining, 235.210938 MB of memory in use. ENERGY: 2930200 3920.4360 20662.6812 14355.0710 251.5997 -203428.2063 2819.3461 0.0000 0.0000 52080.5625 -109338.5099 299.3077 -161419.0724 -108976.5382 298.9472 -5.6253 19.7942 763535.5708 15.0413 15.0378 PRESSURE: 2930400 -131.494 59.8448 -291.066 59.8452 -111.647 225.202 -291.066 225.202 371.507 GPRESSURE: 2930400 -67.5383 37.4471 -254.612 132.366 -113.095 171.81 -203.602 201.356 392.998 PRESSAVG: 2930400 21.9783 41.5759 -15.5835 41.5758 -60.6902 4.62093 -15.5835 4.621 -7.14382 GPRESSAVG: 2930400 21.2806 41.8651 -14.6578 43.2408 -61.172 5.80775 -17.4541 4.65487 -6.59748 TIMING: 2930400 CPU: 9254.51, 0.00317371/step Wall: 9254.51, 0.00317371/step, 1.82453 hours remaining, 235.210938 MB of memory in use. ENERGY: 2930400 4013.9128 20427.1601 14398.4825 228.0872 -203256.4839 2635.3220 0.0000 0.0000 52191.3150 -109362.2042 299.9442 -161553.5192 -108999.3027 299.9890 42.7887 70.7882 763425.2199 -15.2852 -15.4963 PRESSURE: 2930600 177.739 108.017 -120.956 108.017 35.1977 25.0636 -120.955 25.0638 280.304 GPRESSURE: 2930600 119.129 34.9079 -129.714 133.049 224.203 79.3592 -133.516 -38.9905 233.559 PRESSAVG: 2930600 27.2196 -23.1383 -8.04979 -23.1383 -26.3418 36.5154 -8.04975 36.5154 5.71653 GPRESSAVG: 2930600 27.4999 -22.898 -8.95522 -22.0484 -25.3554 35.8183 -6.13937 37.0784 4.87595 TIMING: 2930600 CPU: 9255.14, 0.00315155/step Wall: 9255.14, 0.00315155/step, 1.81161 hours remaining, 235.210938 MB of memory in use. ENERGY: 2930600 3957.5377 20554.7845 14431.6677 233.5328 -203245.0838 2825.8170 0.0000 0.0000 51973.4678 -109268.2763 298.6922 -161241.7441 -108905.3487 299.3815 164.4135 192.2970 762509.7712 2.1981 2.3401 PRESSURE: 2930800 52.085 -89.909 -3.40365 -89.909 -286.454 -8.34736 -3.40373 -8.34744 -192.546 GPRESSURE: 2930800 125.956 -60.0725 -70.354 4.79304 -278.222 89.1242 -12.2463 -153.246 -181.226 PRESSAVG: 2930800 -15.9091 44.8891 -27.669 44.8891 -18.5491 27.6049 -27.669 27.6049 -14.7224 GPRESSAVG: 2930800 -16.0541 43.7617 -26.7228 42.8543 -18.0731 26.2281 -28.7925 25.7764 -14.7517 TIMING: 2930800 CPU: 9255.77, 0.00316696/step Wall: 9255.77, 0.00316696/step, 1.8203 hours remaining, 235.210938 MB of memory in use. ENERGY: 2930800 3953.3004 20384.8159 14431.5172 243.3823 -202829.9614 2354.7317 0.0000 0.0000 52243.1133 -109219.1006 300.2419 -161462.2139 -108849.2527 299.5313 -142.3051 -111.1638 762543.3505 -16.3935 -16.2930 PRESSURE: 2931000 -42.0244 -199.25 -64.0276 -199.25 252.094 83.0866 -64.0283 83.0867 244.626 GPRESSURE: 2931000 114.275 -221.647 -69.4789 -145.615 185.29 -1.91656 -2.20233 73.1415 230.328 PRESSAVG: 2931000 -25.3851 30.5216 -36.5853 30.5216 27.4044 -37.4233 -36.5853 -37.4232 -0.778582 GPRESSAVG: 2931000 -25.1716 31.3885 -35.9787 30.5519 26.9097 -37.3102 -38.316 -36.8628 -0.584683 TIMING: 2931000 CPU: 9256.4, 0.00315256/step Wall: 9256.4, 0.00315256/step, 1.81185 hours remaining, 235.210938 MB of memory in use. ENERGY: 2931000 3922.4191 20522.5427 14408.5079 248.9692 -203430.0112 2785.8076 0.0000 0.0000 52198.9112 -109342.8536 299.9879 -161541.7648 -108983.5270 299.8963 151.5652 176.6313 760815.9937 0.4136 0.3845 PRESSURE: 2931200 13.6652 142.354 119.263 142.356 -217.394 -165.201 119.262 -165.202 -216.167 GPRESSURE: 2931200 -52.9644 162.651 86.1324 -1.45444 -162.887 -126.375 111.402 -230.623 -111.906 PRESSAVG: 2931200 -5.02281 5.09102 -30.5098 5.09102 18.2587 17.5118 -30.5098 17.5117 5.58472 GPRESSAVG: 2931200 -5.79988 4.52629 -32.9157 5.91865 16.7244 17.6038 -28.1046 18.233 7.42876 TIMING: 2931200 CPU: 9257.03, 0.00315822/step Wall: 9257.03, 0.00315822/step, 1.81492 hours remaining, 235.210938 MB of memory in use. ENERGY: 2931200 4047.4457 20692.0176 14406.1910 220.4988 -203883.3191 3032.3621 0.0000 0.0000 51852.7062 -109632.0978 297.9982 -161484.8040 -109277.9539 299.4754 -139.9654 -109.2524 762746.4227 6.2735 6.1178 PRESSURE: 2931400 5.3575 173.321 34.5932 173.321 11.1347 -96.2007 34.593 -96.2004 54.8234 GPRESSURE: 2931400 6.39148 110.217 128.707 77.4675 29.2468 -97.8934 -3.52727 -109.772 98.8055 PRESSAVG: 2931400 29.2055 42.2111 27.0375 42.2111 -29.8098 -19.0873 27.0376 -19.0873 2.48708 GPRESSAVG: 2931400 28.5804 41.9917 27.3682 39.4106 -28.6518 -19.0516 26.9927 -19.4289 1.88055 TIMING: 2931400 CPU: 9257.66, 0.00314378/step Wall: 9257.66, 0.00314378/step, 1.80645 hours remaining, 235.210938 MB of memory in use. ENERGY: 2931400 3872.0022 20407.9005 14452.7792 239.5341 -203311.7874 2462.6919 0.0000 0.0000 52015.7736 -109861.1059 298.9354 -161876.8794 -109489.5225 298.7495 23.7719 44.8146 762852.2007 0.6276 0.6031 PRESSURE: 2931600 7.02336 -15.4008 113.043 -15.4003 88.2981 -86.2947 113.042 -86.2949 276.135 GPRESSURE: 2931600 31.47 -63.6953 33.9023 -1.13482 82.4193 -58.6988 -22.9012 -59.5839 331.388 PRESSAVG: 2931600 9.22532 0.333364 -22.7031 0.333395 -2.57848 32.1496 -22.7031 32.1497 2.65486 GPRESSAVG: 2931600 9.24554 -1.2129 -22.515 2.28374 -1.64477 33.7916 -23.0767 32.4498 1.79665 TIMING: 2931600 CPU: 9258.29, 0.00313357/step Wall: 9258.29, 0.00313357/step, 1.80041 hours remaining, 235.210938 MB of memory in use. ENERGY: 2931600 3877.5979 20418.8355 14380.2134 247.5216 -203582.3005 2821.2046 0.0000 0.0000 52060.2137 -109776.7139 299.1908 -161836.9277 -109418.7440 298.3658 123.8189 148.4259 762858.8708 3.1006 3.1325 PRESSURE: 2931800 100.604 -127.994 -82.2524 -127.995 224.561 94.3884 -82.2528 94.3878 -303.003 GPRESSURE: 2931800 229.41 -187.141 -109.316 -82.443 168.735 62.4895 -25.8035 86.821 -297.979 PRESSAVG: 2931800 19.1961 -38.0551 -8.59453 -38.0551 32.6885 0.826445 -8.59449 0.826424 -6.09055 GPRESSAVG: 2931800 19.6917 -35.7664 -8.85026 -37.8221 30.6174 0.146132 -8.03334 -2.5627 -4.42429 TIMING: 2931800 CPU: 9258.92, 0.00314109/step Wall: 9258.92, 0.00314109/step, 1.80455 hours remaining, 235.210938 MB of memory in use. ENERGY: 2931800 4000.2660 20560.2796 14386.1888 247.7579 -203468.9853 2866.7722 0.0000 0.0000 51877.3226 -109530.3982 298.1397 -161407.7208 -109176.9885 298.4555 7.3874 33.3889 762916.5303 15.2647 15.2949 PRESSURE: 2932000 311.262 -36.7895 36.8279 -36.79 304.025 -75.7778 36.8276 -75.7779 92.4187 GPRESSURE: 2932000 260.899 -75.0938 52.8575 37.5067 360.652 -76.0128 151.916 -44.4434 174.523 PRESSAVG: 2932000 44.1879 -18.5566 -17.3422 -18.5566 22.3783 -13.9233 -17.3422 -13.9233 -1.43057 GPRESSAVG: 2932000 44.3659 -19.3479 -15.7026 -20.2382 23.5521 -15.2134 -17.0919 -10.9634 -2.59473 TIMING: 2932000 CPU: 9259.55, 0.00313945/step Wall: 9259.55, 0.00313945/step, 1.80344 hours remaining, 235.210938 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: 2932000 4013.0418 20368.9776 14494.2882 242.4392 -203760.2186 2898.7260 0.0000 0.0000 52190.0478 -109552.6980 299.9369 -161742.7458 -109194.7421 298.8157 235.9018 265.3580 760926.1317 21.7119 21.7744 PRESSURE: 2932200 20.9892 -152.237 -100.358 -152.236 -257.563 76.3352 -100.357 76.3343 32.6327 GPRESSURE: 2932200 39.4705 -46.5385 -82.4068 -88.5896 -107.921 131.309 -47.1772 -3.52502 -37.9314 PRESSAVG: 2932200 68.6227 3.84125 -13.3172 3.84124 -67.4519 -44.4683 -13.3172 -44.4683 -30.6683 GPRESSAVG: 2932200 67.0075 5.60663 -12.709 4.11868 -66.9436 -42.4613 -15.2349 -47.5127 -29.5603 TIMING: 2932200 CPU: 9260.18, 0.0031482/step Wall: 9260.18, 0.0031482/step, 1.80829 hours remaining, 235.210938 MB of memory in use. ENERGY: 2932200 3996.6270 20453.3555 14400.3321 239.2969 -203900.5713 2948.5792 0.0000 0.0000 52240.7681 -109621.6127 300.2284 -161862.3808 -109260.5722 298.1437 -67.9804 -35.4605 763345.9361 -9.8325 -9.8321 LDB: ============= START OF LOAD BALANCING ============== 9272.71 LDB: ============== END OF LOAD BALANCING =============== 9272.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9272.71 LDB: ============= START OF LOAD BALANCING ============== 9273.03 LDB: Largest compute 7075 load 0.033746 is 17.3% of average load 0.195560 LDB: Average compute 0.004393 is 2.2% of average load 0.195560 LDB: TIME 9273.03 LOAD: AVG 0.19556 MAX 0.215914 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 9273.03 LOAD: AVG 0.19556 MAX 0.215914 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 9273.03 LOAD: AVG 0.19556 MAX 0.215914 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 9273.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9273.04 PRESSURE: 2932400 169.043 17.4507 -167.482 17.4508 -61.3451 84.2992 -167.481 84.2991 65.6997 GPRESSURE: 2932400 127.94 40.275 -210.589 41.9411 -39.3178 49.3342 -136.762 120.838 152.951 PRESSAVG: 2932400 16.1684 -22.6942 3.33884 -22.6942 -23.9575 -2.88092 3.3388 -2.8809 -8.30173 GPRESSAVG: 2932400 17.0825 -26.4041 0.541052 -21.4027 -24.7904 -6.24643 3.86631 -0.317987 -8.66316 TIMING: 2932400 CPU: 9260.82, 0.00321637/step Wall: 9260.82, 0.00321636/step, 1.84726 hours remaining, 235.394531 MB of memory in use. ENERGY: 2932400 3985.2430 20451.7511 14361.1326 247.2959 -203481.0909 2842.9898 0.0000 0.0000 51817.1040 -109775.5744 297.7936 -161592.6785 -109414.5645 298.0690 57.7992 80.5243 762272.8497 -5.3636 -5.4570 PRESSURE: 2932600 -492.399 11.2517 -22.8925 11.2515 -202.896 -163.48 -22.893 -163.481 -190.999 GPRESSURE: 2932600 -529.593 13.5066 -5.54645 93.0971 -145.85 -163.054 53.6697 -162.42 -139.257 PRESSAVG: 2932600 74.186 -22.2357 -17.4438 -22.2357 -82.1934 8.52697 -17.4438 8.52692 9.13751 GPRESSAVG: 2932600 74.0361 -19.7732 -16.1117 -21.8757 -81.5966 8.61265 -15.756 8.45574 8.9395 TIMING: 2932600 CPU: 9261.45, 0.00314614/step Wall: 9261.45, 0.00314615/step, 1.80676 hours remaining, 235.597656 MB of memory in use. ENERGY: 2932600 3942.4393 20668.0366 14343.2955 247.8404 -202989.6556 2300.4359 0.0000 0.0000 52059.3059 -109428.3020 299.1855 -161487.6079 -109062.7313 299.0728 -295.4313 -271.5666 763200.8218 0.3767 0.4597 PRESSURE: 2932800 3.48995 -117.902 85.1857 -117.902 -420.17 68.3956 85.1853 68.3946 335.84 GPRESSURE: 2932800 1.0169 -71.4125 114.809 -53.6007 -336.372 66.6929 -3.09478 63.2333 322.679 PRESSAVG: 2932800 -5.57075 -26.5128 8.35607 -26.5128 10.6787 17.0085 8.35602 17.0084 11.9632 GPRESSAVG: 2932800 -4.87606 -25.7357 8.18861 -29.4153 9.92606 19.9923 7.31068 16.869 12.398 TIMING: 2932800 CPU: 9262.08, 0.00314969/step Wall: 9262.08, 0.00314969/step, 1.80862 hours remaining, 235.585938 MB of memory in use. ENERGY: 2932800 4013.5229 20548.7641 14388.3438 254.7132 -203090.2216 2436.2901 0.0000 0.0000 52059.1310 -109389.4565 299.1845 -161448.5875 -109031.9153 299.4604 -26.9468 -4.2255 763627.8387 5.6904 5.8160 PRESSURE: 2933000 -18.4818 -4.53552 -192.209 -4.53597 -271.388 50.4826 -192.208 50.4826 12.4838 GPRESSURE: 2933000 47.4331 34.6171 -205.957 56.0387 -243.895 73.7106 -176.328 101.143 3.0431 PRESSAVG: 2933000 6.61691 12.7987 -3.2776 12.7987 -67.6242 74.4104 -3.27768 74.4104 -11.211 GPRESSAVG: 2933000 7.15596 11.3992 -1.07108 14.0831 -67.6545 72.872 -3.78576 74.0896 -11.7153 TIMING: 2933000 CPU: 9262.71, 0.0031422/step Wall: 9262.71, 0.0031422/step, 1.80415 hours remaining, 235.597656 MB of memory in use. ENERGY: 2933000 3981.1447 20678.9564 14470.3963 241.4894 -203107.9550 2299.9511 0.0000 0.0000 51988.8073 -109447.2097 298.7804 -161436.0170 -109077.1073 299.4415 -92.4620 -64.4729 763269.2618 -24.0728 -24.0713 PRESSURE: 2933200 201.993 206.744 128.981 206.744 -148.584 -199.904 128.982 -199.904 -703.836 GPRESSURE: 2933200 68.3262 124.261 58.9494 206.512 -39.9916 -122.782 114.147 -111.633 -592.336 PRESSAVG: 2933200 21.8555 -21.1422 56.533 -21.1422 -26.054 31.7498 56.533 31.7498 -10.2276 GPRESSAVG: 2933200 19.8027 -20.2022 55.5767 -22.78 -25.2186 34.3109 55.3787 30.7422 -9.08958 TIMING: 2933200 CPU: 9263.34, 0.00316482/step Wall: 9263.34, 0.00316482/step, 1.81696 hours remaining, 235.597656 MB of memory in use. ENERGY: 2933200 3975.2582 20651.9363 14435.8531 247.7281 -203335.1066 2542.2567 0.0000 0.0000 51825.7112 -109656.3631 297.8431 -161482.0742 -109295.9722 298.9551 -216.8089 -188.0003 761713.2991 -4.8087 -4.8351 PRESSURE: 2933400 71.141 -55.934 -81.0369 -55.9341 95.0804 -77.9661 -81.0373 -77.9661 136.549 GPRESSURE: 2933400 68.2339 -31.0342 -1.41798 -82.2878 126.066 68.6534 -57.3317 -135.145 199.218 PRESSAVG: 2933400 26.3571 59.1541 9.94405 59.1542 -5.67301 6.22185 9.944 6.22177 15.0202 GPRESSAVG: 2933400 27.3742 56.353 10.8425 61.4413 -6.35113 4.32927 11.8889 8.94186 14.7356 TIMING: 2933400 CPU: 9263.97, 0.00314509/step Wall: 9263.97, 0.00314509/step, 1.80546 hours remaining, 235.597656 MB of memory in use. ENERGY: 2933400 3965.0099 20527.9476 14481.1713 248.3112 -203444.1094 2770.2302 0.0000 0.0000 51864.8520 -109586.5871 298.0680 -161451.4390 -109223.5629 298.8453 100.9236 131.1725 763356.9075 11.9014 11.9196 PRESSURE: 2933600 86.7445 151.765 -7.07678 151.764 167.218 -60.0984 -7.07732 -60.0986 87.6216 GPRESSURE: 2933600 18.8861 134.471 15.3011 105.306 293.804 35.2151 -11.4672 -17.3084 120.181 PRESSAVG: 2933600 20.9073 -28.5284 15.5644 -28.5284 5.35883 10.9036 15.5645 10.9036 -4.77979 GPRESSAVG: 2933600 20.9328 -25.8832 13.9311 -29.386 5.9659 12.1665 15.3156 9.161 -5.19208 TIMING: 2933600 CPU: 9264.6, 0.00314717/step Wall: 9264.6, 0.00314717/step, 1.80648 hours remaining, 235.597656 MB of memory in use. ENERGY: 2933600 3953.7238 20680.5946 14417.1617 243.0852 -203594.5144 2670.8632 0.0000 0.0000 52096.1958 -109532.8900 299.3976 -161629.0858 -109167.5087 299.4180 113.8614 144.2907 760101.5800 7.1621 7.2355 PRESSURE: 2933800 -270.191 76.7795 -4.11437 76.7803 -278.647 96.6634 -4.11472 96.6638 -276.834 GPRESSURE: 2933800 -228.243 70.62 -106.222 -41.6249 -229.849 107.744 -90.777 14.4622 -283.167 PRESSAVG: 2933800 0.835151 -19.9177 -6.81706 -19.9176 -13.1292 -14.0709 -6.81705 -14.0709 1.66181 GPRESSAVG: 2933800 0.0817909 -19.6211 -5.61234 -21.4569 -13.7171 -15.7021 -9.34051 -14.8182 3.79161 TIMING: 2933800 CPU: 9265.23, 0.00314257/step Wall: 9265.23, 0.00314257/step, 1.80366 hours remaining, 235.597656 MB of memory in use. ENERGY: 2933800 3884.2756 20602.1936 14467.6504 250.7080 -203297.6367 2471.9749 0.0000 0.0000 51973.6682 -109647.1660 298.6934 -161620.8342 -109284.6928 298.7988 -275.2241 -247.0862 763939.6648 -3.5441 -3.2812 PRESSURE: 2934000 -79.0977 -159.43 97.3182 -159.43 280.321 168.729 97.3181 168.729 -51.5341 GPRESSURE: 2934000 37.4769 -205.596 45.859 -148.36 216.329 207.279 157.836 166.298 -40.9693 PRESSAVG: 2934000 28.5992 21.9116 -7.69066 21.9116 -37.2408 13.8538 -7.69065 13.8537 -38.8503 GPRESSAVG: 2934000 30.5252 21.619 -9.57298 21.4084 -38.0558 15.3463 -4.81229 12.4758 -39.4011 TIMING: 2934000 CPU: 9265.86, 0.0031519/step Wall: 9265.86, 0.0031519/step, 1.80884 hours remaining, 235.597656 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: 2934000 3918.7162 20460.1763 14397.1368 231.0843 -202959.7375 2444.7562 0.0000 0.0000 51777.4570 -109730.4107 297.5658 -161507.8677 -109377.6746 298.1733 49.8965 70.9455 763892.6739 -15.8306 -15.6439 PRESSURE: 2934200 -75.5845 -116.412 84.1864 -116.411 -136.579 -96.1239 84.186 -96.1238 162.842 GPRESSURE: 2934200 -87.3861 -39.6993 150.458 -158.076 -96.5009 -176.479 -11.4176 22.3452 219.498 PRESSAVG: 2934200 -14.652 -20.1801 16.5389 -20.1802 12.46 46.7154 16.5389 46.7155 -0.466604 GPRESSAVG: 2934200 -16.4001 -19.9792 17.8785 -19.549 14.1517 45.5077 15.6437 48.167 -0.942231 TIMING: 2934200 CPU: 9266.49, 0.00315222/step Wall: 9266.49, 0.00315222/step, 1.80885 hours remaining, 235.597656 MB of memory in use. ENERGY: 2934200 3953.9827 20541.0390 14385.3418 240.9882 -203060.7480 2505.9617 0.0000 0.0000 51916.4227 -109517.0118 298.3644 -161433.4346 -109151.8575 298.8807 -16.4405 11.8705 763214.3961 -0.8862 -1.0635 PRESSURE: 2934400 -154.206 -15.9705 -219.525 -15.97 76.5249 113.248 -219.525 113.248 187.052 GPRESSURE: 2934400 -112.265 -145.802 -205.541 -40.4681 99.6443 157.798 -93.2383 120.978 189.028 PRESSAVG: 2934400 58.0237 -8.35229 -1.52291 -8.35223 -87.3468 -23.4833 -1.52296 -23.4834 20.1704 GPRESSAVG: 2934400 57.8257 -10.7593 -1.98104 -9.55822 -88.1544 -23.7297 -2.23917 -20.9559 20.6262 TIMING: 2934400 CPU: 9267.12, 0.00314477/step Wall: 9267.12, 0.00314477/step, 1.8044 hours remaining, 235.597656 MB of memory in use. ENERGY: 2934400 3968.2235 20438.9520 14417.9116 231.7277 -203544.9562 2789.6326 0.0000 0.0000 52233.5446 -109464.9641 300.1869 -161698.5087 -109096.8774 298.8122 36.4570 58.8024 763751.0080 -3.0509 -3.2342 PRESSURE: 2934600 186.438 -54.64 -188.277 -54.6404 265.836 -79.3038 -188.277 -79.3039 273.105 GPRESSURE: 2934600 221.439 -178.181 -145.325 -29.5888 315.295 -11.8697 -79.6803 -155.462 289.676 PRESSAVG: 2934600 56.4804 23.7897 15.0899 23.7897 -51.5029 57.5108 15.0899 57.5108 3.80253 GPRESSAVG: 2934600 57.4537 25.6937 14.5667 24.3292 -51.2151 58.0627 16.9381 56.0481 3.53378 TIMING: 2934600 CPU: 9267.75, 0.00315052/step Wall: 9267.75, 0.00315052/step, 1.80752 hours remaining, 235.597656 MB of memory in use. ENERGY: 2934600 3956.0105 20447.8202 14448.6479 251.0503 -203416.3196 2858.7371 0.0000 0.0000 52011.9450 -109442.1087 298.9134 -161454.0536 -109084.7812 298.4466 241.7931 275.4702 762606.1341 2.9266 3.2575 PRESSURE: 2934800 221.728 -63.8007 60.8467 -63.8002 251.518 87.4458 60.8464 87.4468 156.301 GPRESSURE: 2934800 312.117 -29.8199 46.52 -66.7263 317.454 102.946 -36.2533 170.11 94.5103 PRESSAVG: 2934800 -41.9575 6.02112 20.5679 6.02111 33.739 6.27781 20.5679 6.27785 -12.3597 GPRESSAVG: 2934800 -40.3679 5.83245 21.7579 5.35583 31.5829 7.80652 20.2768 7.5443 -12.1844 TIMING: 2934800 CPU: 9268.38, 0.00315382/step Wall: 9268.38, 0.00315382/step, 1.80924 hours remaining, 235.597656 MB of memory in use. ENERGY: 2934800 4075.2704 20561.0245 14334.3276 238.8182 -203172.8123 2666.6595 0.0000 0.0000 51829.8854 -109466.8267 297.8671 -161296.7120 -109101.5046 298.8307 209.8491 241.3603 762588.4337 -6.8594 -6.9898 PRESSURE: 2935000 -149.188 86.4182 9.97532 86.4183 -25.0002 0.233547 9.97514 0.234311 127.661 GPRESSURE: 2935000 -168.699 49.9824 23.4345 3.88983 101.356 -47.2328 -84.8749 -20.3045 135.662 PRESSAVG: 2935000 -66.594 4.0793 8.48298 4.07928 35.0467 13.9704 8.48293 13.9705 -13.7163 GPRESSAVG: 2935000 -67.6466 5.12815 8.58429 2.82276 35.7774 13.6142 6.84811 11.5392 -13.5396 TIMING: 2935000 CPU: 9269.01, 0.00316754/step Wall: 9269.01, 0.00316754/step, 1.81693 hours remaining, 235.597656 MB of memory in use. ENERGY: 2935000 4015.6606 20445.2072 14471.4237 249.0557 -203203.2826 2655.9195 0.0000 0.0000 51927.6805 -109438.3354 298.4291 -161366.0159 -109069.9522 298.8713 -15.5092 22.7730 763914.7743 -15.0878 -15.1363 PRESSURE: 2935200 -46.2767 -77.9129 100.28 -77.9125 47.0256 -69.6815 100.279 -69.6812 -337.373 GPRESSURE: 2935200 -14.3487 7.25306 58.9651 -83.8844 -29.3619 -25.7975 152.392 -46.2364 -200.713 PRESSAVG: 2935200 -15.2803 -52.1237 35.8224 -52.1236 10.7915 -11.8058 35.8225 -11.8058 -4.91505 GPRESSAVG: 2935200 -15.666 -53.2507 35.9543 -49.9142 10.6731 -13.4492 37.1293 -12.2245 -4.00398 TIMING: 2935200 CPU: 9269.64, 0.0031495/step Wall: 9269.64, 0.0031495/step, 1.80641 hours remaining, 235.597656 MB of memory in use. ENERGY: 2935200 4008.1893 20416.5503 14451.7709 264.9439 -202905.4072 2464.5353 0.0000 0.0000 52125.7682 -109173.6495 299.5675 -161299.4176 -108810.6116 299.2256 -112.2080 -81.4745 763411.5141 -3.1346 -2.9989 PRESSURE: 2935400 -410.917 125.414 -183.47 125.414 -46.9012 -136.81 -183.47 -136.809 -374.971 GPRESSURE: 2935400 -338.276 71.6291 -95.2027 161.872 -36.497 -179.35 -103.856 21.3153 -365.641 PRESSAVG: 2935400 1.0073 4.62346 22.5719 4.62353 -15.9561 21.2195 22.5719 21.2195 18.3362 GPRESSAVG: 2935400 1.63668 6.90896 22.0146 3.67216 -14.5985 20.3074 21.0642 24.6047 16.5634 TIMING: 2935400 CPU: 9270.27, 0.00316928/step Wall: 9270.27, 0.00316928/step, 1.81758 hours remaining, 235.597656 MB of memory in use. ENERGY: 2935400 4062.6603 20428.5178 14493.6317 238.7980 -202818.5417 2268.0544 0.0000 0.0000 51949.4303 -109377.4493 298.5541 -161326.8796 -109020.7955 298.8157 -277.5963 -246.8047 763874.1829 1.1291 1.2005 PRESSURE: 2935600 -247.139 -12.4045 156.887 -12.4045 -309.667 89.1805 156.887 89.1798 -359.12 GPRESSURE: 2935600 -144.269 -5.54695 92.1219 -62.415 -293.499 62.2697 212.311 104.259 -380.53 PRESSAVG: 2935600 -43.0721 -60.6912 39.2797 -60.6912 7.50389 -31.863 39.2797 -31.863 -32.8532 GPRESSAVG: 2935600 -43.3728 -63.7606 36.4031 -58.4986 6.82647 -31.0649 41.0835 -34.1924 -31.8909 TIMING: 2935600 CPU: 9270.91, 0.00315474/step Wall: 9270.91, 0.00315474/step, 1.80907 hours remaining, 235.597656 MB of memory in use. ENERGY: 2935600 3987.3149 20454.3606 14457.4577 238.4591 -202901.8132 2563.0037 0.0000 0.0000 51806.1816 -109395.0355 297.7308 -161201.2171 -109032.7630 299.0920 -305.3089 -272.7662 764259.1354 -22.8071 -22.8124 PRESSURE: 2935800 -212.925 -75.8096 -206.973 -75.8094 -39.5963 1.18528 -206.974 1.18479 223.972 GPRESSURE: 2935800 -67.5366 -99.6058 -204.665 -110.769 -31.8905 -3.72158 -289.352 -70.1531 139.418 PRESSAVG: 2935800 8.29354 -38.2889 21.8884 -38.2889 -22.0417 2.27154 21.8884 2.27156 9.11741 GPRESSAVG: 2935800 8.67799 -37.5762 24.8591 -40.2884 -22.4142 2.11104 22.082 3.99673 8.62243 TIMING: 2935800 CPU: 9271.54, 0.00315503/step Wall: 9271.54, 0.00315503/step, 1.80906 hours remaining, 235.597656 MB of memory in use. ENERGY: 2935800 3958.4751 20503.4780 14421.4938 236.7295 -203492.6824 2839.7120 0.0000 0.0000 52121.0025 -109411.7915 299.5401 -161532.7941 -109054.2442 298.9479 -9.5167 13.3303 762151.5836 -1.5436 -1.7046 PRESSURE: 2936000 -83.5344 -10.4997 141.012 -10.5002 -217.647 -50.9249 141.012 -50.9242 -445.768 GPRESSURE: 2936000 -114.335 26.1397 109.681 98.0196 -190.403 -84.0426 56.8258 -110.685 -367.572 PRESSAVG: 2936000 -30.7302 -42.32 32.3698 -42.32 5.46451 -27.8172 32.3699 -27.8172 -9.17274 GPRESSAVG: 2936000 -32.7384 -43.3021 31.572 -41.6256 6.91072 -27.1913 32.29 -30.1969 -8.80565 TIMING: 2936000 CPU: 9272.17, 0.00314848/step Wall: 9272.17, 0.00314848/step, 1.80513 hours remaining, 235.597656 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: 2936000 3996.8270 20285.7739 14490.0289 259.2929 -203397.7014 2637.6617 0.0000 0.0000 52105.2102 -109622.9067 299.4494 -161728.1169 -109261.1831 298.3831 -248.9831 -224.1036 764322.4474 -11.4795 -11.5445 PRESSURE: 2936200 575.098 -15.3893 -235.552 -15.3884 -82.7826 24.1691 -235.552 24.1699 -125.167 GPRESSURE: 2936200 542.291 -38.4242 -283.26 50.686 0.838102 1.94376 -155.945 55.5361 -94.9962 PRESSAVG: 2936200 37.3185 -48.4226 20.0447 -48.4226 3.97194 7.04989 20.0447 7.04979 12.5728 GPRESSAVG: 2936200 36.2424 -46.4435 22.3908 -48.7821 4.18194 7.27444 19.0944 6.8012 13.4543 TIMING: 2936200 CPU: 9272.8, 0.00315481/step Wall: 9272.8, 0.00315481/step, 1.80858 hours remaining, 235.597656 MB of memory in use. ENERGY: 2936200 4032.6985 20478.3049 14359.8613 229.2911 -203779.3046 3135.7774 0.0000 0.0000 52043.0690 -109500.3025 299.0922 -161543.3714 -109134.1693 298.6740 122.3829 149.3776 761987.3872 17.9544 17.9596 LDB: ============= START OF LOAD BALANCING ============== 9285.33 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9285.33 LDB: =============== DONE WITH MIGRATION ================ 9285.33 LDB: ============= START OF LOAD BALANCING ============== 9285.65 LDB: Largest compute 7075 load 0.031039 is 15.9% of average load 0.195596 LDB: Average compute 0.004385 is 2.2% of average load 0.195596 LDB: TIME 9285.65 LOAD: AVG 0.195596 MAX 0.216563 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.574 MB LDB: TIME 9285.65 LOAD: AVG 0.195596 MAX 0.216563 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: TIME 9285.65 LOAD: AVG 0.195596 MAX 0.216563 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.574 MB LDB: ============== END OF LOAD BALANCING =============== 9285.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9285.66 PRESSURE: 2936400 36.3911 -29.5385 -126.623 -29.539 262.042 -145.959 -126.623 -145.958 368.854 GPRESSURE: 2936400 80.3263 -98.2251 -203.863 -2.941 325.661 -132.967 -116.262 -89.061 353.265 PRESSAVG: 2936400 15.2131 -12.3128 -29.9332 -12.3128 -16.2559 15.7134 -29.9332 15.7134 4.41662 GPRESSAVG: 2936400 16.5261 -12.137 -31.5194 -11.8125 -17.4381 16.2167 -31.242 17.0738 4.97093 TIMING: 2936400 CPU: 9273.44, 0.00321218/step Wall: 9273.44, 0.00321218/step, 1.84129 hours remaining, 235.722656 MB of memory in use. ENERGY: 2936400 3924.9805 20466.6403 14475.0117 257.9571 -203544.6270 2859.1072 0.0000 0.0000 52141.6820 -109419.2482 299.6590 -161560.9301 -109053.0008 299.0573 222.4292 253.0841 763303.7412 1.1246 1.3530 PRESSURE: 2936600 -242.404 -28.0242 211.933 -28.0245 -166.563 9.45633 211.933 9.45585 169.248 GPRESSURE: 2936600 -165.463 -2.7914 76.0445 -135.363 -174.749 19.8572 287.68 37.0765 175.701 PRESSAVG: 2936600 -62.5641 -16.3214 -12.1474 -16.3214 11.6955 -10.3848 -12.1473 -10.3848 12.2576 GPRESSAVG: 2936600 -62.6674 -16.6524 -11.8221 -15.8744 12.2833 -11.2082 -10.471 -9.75606 11.6127 TIMING: 2936600 CPU: 9274.07, 0.00315198/step Wall: 9274.07, 0.00315198/step, 1.80661 hours remaining, 235.812500 MB of memory in use. ENERGY: 2936600 4018.5643 20525.5714 14397.8228 242.8107 -203021.2255 2664.4145 0.0000 0.0000 52015.2915 -109156.7503 298.9326 -161172.0418 -108804.6752 299.0767 -79.9065 -54.8369 765086.4759 -12.8704 -12.9238 PRESSURE: 2936800 -3.56428 -11.1252 415.424 -11.125 -71.6905 14.0015 415.424 14.0016 281.512 GPRESSURE: 2936800 70.4768 30.1298 479.607 124.631 -25.7456 -26.4546 471.445 -75.9699 264.159 PRESSAVG: 2936800 -32.2056 -36.2363 68.4639 -36.2363 9.58676 -10.2606 68.4639 -10.2605 -8.46912 GPRESSAVG: 2936800 -33.2449 -37.0265 69.1816 -37.2635 10.5223 -10.1199 69.7974 -12.3679 -8.61094 TIMING: 2936800 CPU: 9274.7, 0.00316175/step Wall: 9274.7, 0.00316175/step, 1.81203 hours remaining, 235.812500 MB of memory in use. ENERGY: 2936800 4012.3157 20407.7220 14486.9807 231.9684 -203761.6620 3065.6834 0.0000 0.0000 52197.2280 -109359.7639 299.9782 -161556.9919 -108995.4265 299.7561 68.7523 102.9635 763432.7889 -10.3627 -10.4445 PRESSURE: 2937000 42.7862 -138.539 98.3509 -138.538 -41.5686 -158.567 98.3513 -158.566 168.304 GPRESSURE: 2937000 102.143 -20.6296 105.483 -100.832 -2.80785 -112.259 119.3 -213.182 156.035 PRESSAVG: 2937000 -14.5323 -44.0658 36.9226 -44.0658 -10.9282 -8.61367 36.9227 -8.61378 2.63188 GPRESSAVG: 2937000 -13.6719 -44.4706 36.2415 -44.3626 -11.8093 -8.08574 37.4841 -7.03937 2.74271 TIMING: 2937000 CPU: 9275.33, 0.00315967/step Wall: 9275.33, 0.00315967/step, 1.81067 hours remaining, 236.015625 MB of memory in use. ENERGY: 2937000 4074.1380 20411.7234 14419.6488 254.6551 -203259.4724 2700.5888 0.0000 0.0000 52018.9347 -109379.7836 298.9535 -161398.7183 -109022.8786 299.1545 56.5071 85.1232 761666.9210 -7.6096 -7.5795 PRESSURE: 2937200 130.194 68.3962 146.988 68.3959 -88.4691 48.278 146.989 48.2773 211.759 GPRESSURE: 2937200 128.1 148.406 195.905 28.4929 -15.8552 100.51 114.039 17.9908 220.725 PRESSAVG: 2937200 27.5763 -40.307 40.4426 -40.307 -13.0148 9.23734 40.4427 9.23731 10.1024 GPRESSAVG: 2937200 28.5531 -36.9701 40.4857 -40.5516 -13.7704 9.10372 39.4164 7.71285 9.51077 TIMING: 2937200 CPU: 9275.97, 0.0031573/step Wall: 9275.97, 0.0031573/step, 1.80913 hours remaining, 236.015625 MB of memory in use. ENERGY: 2937200 4018.3786 20539.0221 14404.5968 247.5178 -203123.4433 2550.3425 0.0000 0.0000 51936.1067 -109427.4789 298.4775 -161363.5856 -109061.0766 299.2017 84.4946 110.9898 761256.4186 8.2213 8.0978 PRESSURE: 2937400 -7.55522 -2.08044 -72.4911 -2.08 -327.911 -193.458 -72.49 -193.458 -318.647 GPRESSURE: 2937400 -33.5198 -72.592 -192.345 52.286 -189.625 -216.933 -94.377 -190.337 -339.809 PRESSAVG: 2937400 -5.73707 12.6104 3.16429 12.6103 6.12866 13.8158 3.1643 13.8157 -0.120979 GPRESSAVG: 2937400 -6.7409 12.5033 3.66362 11.8106 7.01789 13.9758 3.3741 16.5462 -0.387398 TIMING: 2937400 CPU: 9276.6, 0.00316818/step Wall: 9276.6, 0.00316818/step, 1.81519 hours remaining, 236.015625 MB of memory in use. ENERGY: 2937400 3973.1217 20517.6920 14467.1632 253.8246 -203065.6358 2310.4578 0.0000 0.0000 52179.4640 -109363.9126 299.8761 -161543.3766 -109006.4128 299.3313 -218.0377 -187.6511 761349.8230 0.0902 -0.0368 PRESSURE: 2937600 44.6506 36.8621 -37.11 36.8622 -306.31 -94.1157 -37.1101 -94.1142 -426.548 GPRESSURE: 2937600 50.5261 112.825 -39.7637 54.0618 -262.662 -185.331 -1.52632 -64.3113 -404.652 PRESSAVG: 2937600 -2.80849 -25.6085 -6.49243 -25.6084 31.0384 -10.7517 -6.49245 -10.7518 -12.8048 GPRESSAVG: 2937600 -4.71163 -27.2998 -5.09664 -23.4844 30.5722 -12.4208 -7.2543 -12.3951 -11.5668 TIMING: 2937600 CPU: 9277.23, 0.00314923/step Wall: 9277.23, 0.00314923/step, 1.80416 hours remaining, 236.015625 MB of memory in use. ENERGY: 2937600 4028.3399 20408.5112 14514.1504 247.0504 -203442.2439 2628.4297 0.0000 0.0000 52048.2493 -109567.5131 299.1220 -161615.7623 -109206.8806 299.3055 -229.4025 -205.5959 761232.9610 5.1417 4.7646 PRESSURE: 2937800 135.06 149.038 143.604 149.038 -80.8431 -169.997 143.604 -169.997 142.139 GPRESSURE: 2937800 208.533 220.898 10.6181 60.5063 -45.4156 -103.792 137.719 -182.282 130.501 PRESSAVG: 2937800 -64.7495 12.8022 31.8686 12.8023 56.728 6.88581 31.8686 6.88573 -11.6303 GPRESSAVG: 2937800 -63.9833 11.9624 30.2803 11.2736 56.7507 7.87082 32.3072 7.46706 -12.4544 TIMING: 2937800 CPU: 9277.86, 0.00315758/step Wall: 9277.86, 0.00315758/step, 1.80877 hours remaining, 236.015625 MB of memory in use. ENERGY: 2937800 3995.1899 20424.1966 14407.1291 244.6438 -203102.8937 2657.4744 0.0000 0.0000 51656.7993 -109717.4606 296.8723 -161374.2599 -109347.0138 298.3664 65.4521 97.8726 762860.5341 -6.5506 -6.5623 PRESSURE: 2938000 -111.141 11.5349 34.4611 11.5351 -218.099 -230.203 34.4609 -230.204 -366.258 GPRESSURE: 2938000 -113.172 98.848 17.7373 80.0997 -177.608 -205.526 50.413 -147.866 -334.846 PRESSAVG: 2938000 45.8562 38.8197 -13.1801 38.8197 -39.1062 -19.8417 -13.1801 -19.8417 21.5855 GPRESSAVG: 2938000 45.9392 39.7166 -13.0203 39.3698 -39.3363 -21.0057 -13.5813 -18.6103 21.6957 TIMING: 2938000 CPU: 9278.49, 0.00314809/step Wall: 9278.49, 0.00314809/step, 1.80316 hours remaining, 236.015625 MB of memory 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 3984.4892 20556.2405 14487.8856 257.4168 -203438.7192 2521.9478 0.0000 0.0000 51865.8874 -109764.8520 298.0740 -161630.7394 -109404.3662 298.2521 -231.8323 -208.5420 762304.6260 9.4452 9.4329 PRESSURE: 2938200 -36.5429 112.05 -209.078 112.05 52.6399 -83.0924 -209.079 -83.0932 37.5521 GPRESSURE: 2938200 -4.73067 126.138 -165.852 142.838 136.37 -77.2934 -234.603 -1.20339 -14.3979 PRESSAVG: 2938200 41.4102 46.0836 -16.9329 46.0836 -62.0222 -55.0464 -16.9329 -55.0465 15.2009 GPRESSAVG: 2938200 40.9559 45.1503 -16.8467 46.8636 -60.712 -52.8012 -16.7078 -55.4051 14.7097 TIMING: 2938200 CPU: 9279.12, 0.00315583/step Wall: 9279.12, 0.00315583/step, 1.80741 hours remaining, 236.015625 MB of memory in use. ENERGY: 2938200 3917.2794 20448.3508 14415.2878 238.9617 -203850.7680 2980.1368 0.0000 0.0000 52083.0209 -109767.7306 299.3218 -161850.7515 -109410.7635 298.4281 17.8830 39.0805 762610.0956 -1.8037 -1.6821 PRESSURE: 2938400 -417.946 94.2697 -149.661 94.2694 224.589 70.1827 -149.662 70.183 168.821 GPRESSURE: 2938400 -356.813 78.1941 -116.003 176.776 221.258 28.5423 -217.862 168.32 193.338 PRESSAVG: 2938400 -24.764 62.7708 61.6625 62.7707 26.5048 -11.3994 61.6625 -11.3993 -5.469 GPRESSAVG: 2938400 -24.5743 63.0804 61.4769 62.5369 24.6564 -11.4855 61.6051 -10.3319 -3.72978 TIMING: 2938400 CPU: 9279.75, 0.0031675/step Wall: 9279.75, 0.0031675/step, 1.81392 hours remaining, 236.015625 MB of memory in use. ENERGY: 2938400 3983.2552 20558.8983 14492.0875 249.3039 -203600.7877 2926.1334 0.0000 0.0000 51832.6616 -109558.4477 297.8830 -161391.1094 -109203.9059 298.6685 -8.1787 19.2608 762571.2396 -1.2427 -1.2159 PRESSURE: 2938600 37.8073 131.349 -81.9893 131.349 -85.7601 -104.391 -81.9885 -104.392 503.377 GPRESSURE: 2938600 95.8941 298.238 -99.6468 140.819 13.367 -54.3232 -60.1129 -108.463 442.192 PRESSAVG: 2938600 -16.5525 37.2126 8.47684 37.2126 38.1197 28.1723 8.47683 28.1723 1.31241 GPRESSAVG: 2938600 -16.1724 36.9418 8.8033 36.5689 39.5217 28.2253 10.618 26.3612 -0.213285 TIMING: 2938600 CPU: 9280.39, 0.00318423/step Wall: 9280.39, 0.00318423/step, 1.82333 hours remaining, 236.015625 MB of memory in use. ENERGY: 2938600 3987.2249 20383.6409 14446.0819 252.9535 -203614.2006 2876.3691 0.0000 0.0000 52330.8789 -109337.0513 300.7463 -161667.9302 -108970.7171 298.9411 151.8081 183.8176 763256.0879 7.6265 7.7120 PRESSURE: 2938800 -206.872 -110.711 181.622 -110.71 -151.714 181.581 181.623 181.581 165.644 GPRESSURE: 2938800 -154.032 -87.4743 159.723 -45.0511 -214.296 185.008 59.409 1.83421 255.345 PRESSAVG: 2938800 -25.935 62.8751 -47.8503 62.8751 -4.98643 7.73426 -47.8502 7.73439 5.25066 GPRESSAVG: 2938800 -25.1771 61.753 -46.7159 63.6138 -6.3521 7.49267 -50.4486 6.11841 5.97393 TIMING: 2938800 CPU: 9281.03, 0.00317446/step Wall: 9281.03, 0.00317446/step, 1.81755 hours remaining, 236.015625 MB of memory in use. ENERGY: 2938800 3958.7769 20511.0380 14449.7622 250.5070 -202754.2275 2339.0959 0.0000 0.0000 51892.8293 -109352.2181 298.2288 -161245.0475 -109007.8482 299.2609 -64.3140 -37.6608 762350.3256 -8.5569 -8.5184 PRESSURE: 2939000 291.437 -74.7048 42.7686 -74.7047 -169.611 190.813 42.769 190.814 -264.237 GPRESSURE: 2939000 319.268 -61.273 196.616 -15.9868 -76.597 132.925 -14.0136 136.119 -292.476 PRESSAVG: 2939000 -29.5353 66.5643 -18.2303 66.5642 55.6654 26.1252 -18.2303 26.1251 4.10575 GPRESSAVG: 2939000 -29.8643 67.3968 -17.5952 65.933 55.8001 25.0091 -18.3766 28.0672 4.7703 TIMING: 2939000 CPU: 9281.66, 0.00317307/step Wall: 9281.66, 0.00317307/step, 1.81658 hours remaining, 236.015625 MB of memory in use. ENERGY: 2939000 3997.9216 20394.6770 14512.2561 246.2229 -203292.2512 2800.3206 0.0000 0.0000 51966.5941 -109374.2588 298.6527 -161340.8529 -109014.4012 298.7805 -47.4703 -16.6016 761104.0808 10.0786 10.2354 PRESSURE: 2939200 -66.3247 3.27576 -248.636 3.27642 -238.221 28.4247 -248.635 28.4252 -506.876 GPRESSURE: 2939200 -107.466 11.0138 -332.421 -16.3097 -181.961 -19.0915 -154.204 89.9637 -434.456 PRESSAVG: 2939200 -8.51856 -18.2128 -30.45 -18.2129 51.6568 21.0193 -30.45 21.0193 26.0899 GPRESSAVG: 2939200 -7.88754 -17.8224 -33.1553 -19.6606 51.8438 21.3577 -29.484 21.3038 24.7249 TIMING: 2939200 CPU: 9282.29, 0.00316025/step Wall: 9282.29, 0.00316026/step, 1.80907 hours remaining, 236.015625 MB of memory in use. ENERGY: 2939200 4008.6617 20451.6822 14422.3669 233.2877 -202722.2131 2325.6423 0.0000 0.0000 51892.2044 -109388.3678 298.2252 -161280.5723 -109029.6379 298.9124 -270.4741 -241.2945 762523.1035 23.0760 22.8937 PRESSURE: 2939400 -194.472 104.559 257.185 104.559 -397.306 139.89 257.185 139.889 -168.249 GPRESSURE: 2939400 -89.3497 137.349 189.314 150.332 -321.087 226.744 174.594 277.631 -263.457 PRESSAVG: 2939400 -31.1729 62.5226 -19.1225 62.5226 0.624568 15.0581 -19.1225 15.0581 17.3235 GPRESSAVG: 2939400 -31.1243 62.5935 -18.8075 63.3003 0.266439 15.6253 -17.2403 15.4444 18.2572 TIMING: 2939400 CPU: 9282.92, 0.00315154/step Wall: 9282.92, 0.00315154/step, 1.80391 hours remaining, 236.015625 MB of memory in use. ENERGY: 2939400 3991.7499 20460.4236 14459.5693 249.0431 -203109.5825 2485.6876 0.0000 0.0000 51966.0963 -109497.0127 298.6499 -161463.1090 -109126.7754 299.2859 -253.3424 -224.6311 762622.8908 -4.4083 -4.2002 PRESSURE: 2939600 122.747 -259.756 144.928 -259.756 64.7891 -126.953 144.929 -126.953 202.352 GPRESSURE: 2939600 183.08 -309.484 138.059 -116.32 85.4859 -165.452 -57.4718 -112.844 199.136 PRESSAVG: 2939600 51.7329 81.405 19.2584 81.4049 -46.4606 -7.77352 19.2584 -7.77359 1.80963 GPRESSAVG: 2939600 50.9961 79.8289 19.8137 82.6369 -44.9504 -8.25203 18.6516 -8.76233 1.42324 TIMING: 2939600 CPU: 9283.55, 0.0031572/step Wall: 9283.55, 0.0031572/step, 1.80697 hours remaining, 236.015625 MB of memory in use. ENERGY: 2939600 3940.7741 20511.8402 14472.4900 238.1695 -203533.6421 2761.7796 0.0000 0.0000 52060.9139 -109547.6748 299.1948 -161608.5887 -109196.7605 298.9244 129.9628 155.9007 760298.6051 2.3607 2.4896 PRESSURE: 2939800 273.625 -82.5928 312.972 -82.5927 190.09 -160.906 312.972 -160.906 252.554 GPRESSURE: 2939800 323.353 30.7928 244.973 -212.398 232.519 -165.626 366.881 -164.925 244.591 PRESSAVG: 2939800 -25.4653 6.84906 -24.956 6.84902 -10.7581 -13.0413 -24.956 -13.0413 2.50947 GPRESSAVG: 2939800 -25.0262 7.10294 -25.0223 5.68487 -11.4753 -12.0046 -26.8203 -14.2992 2.8737 TIMING: 2939800 CPU: 9284.18, 0.00313585/step Wall: 9284.18, 0.00313585/step, 1.79458 hours remaining, 236.015625 MB of memory in use. ENERGY: 2939800 4008.1283 20442.8157 14506.4703 239.9744 -203868.8702 2920.9162 0.0000 0.0000 52094.9783 -109655.5869 299.3906 -161750.5652 -109290.8098 298.9380 238.7564 266.8211 760203.3297 -11.2380 -11.2093 PRESSURE: 2940000 -411.23 129.824 16.9162 129.824 -356.941 116.886 16.9167 116.887 -213.814 GPRESSURE: 2940000 -387.283 -62.0618 74.031 194.221 -274.455 80.1344 87.8478 242.388 -232.678 PRESSAVG: 2940000 26.4197 2.92925 41.5725 2.92928 -27.099 34.3496 41.5726 34.3497 12.4097 GPRESSAVG: 2940000 25.7474 3.63163 41.6406 4.39538 -25.9183 33.2574 44.0678 35.8907 12.4572 TIMING: 2940000 CPU: 9284.81, 0.00313082/step Wall: 9284.81, 0.00313082/step, 1.79153 hours remaining, 236.015625 MB of memory 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 4079.5319 20586.8255 14419.8633 218.1351 -203438.9082 2424.6031 0.0000 0.0000 52239.9744 -109469.9749 300.2239 -161709.9493 -109094.4546 299.4583 -327.3284 -298.1387 762060.9385 3.9101 4.0955 PRESSURE: 2940200 153.494 -224.817 44.0507 -224.816 12.7325 223.186 44.0509 223.186 -9.47643 GPRESSURE: 2940200 244.805 -152.559 -25.9137 -204.04 11.0634 201.959 46.1999 202.661 -6.16506 PRESSAVG: 2940200 37.6944 19.3496 3.52364 19.3496 -40.5321 4.39076 3.5237 4.39069 -28.0046 GPRESSAVG: 2940200 39.0864 19.1102 3.73695 17.8098 -42.2615 3.82819 2.26965 4.47413 -28.1475 TIMING: 2940200 CPU: 9285.44, 0.00314875/step Wall: 9285.44, 0.00314875/step, 1.80161 hours remaining, 236.015625 MB of memory in use. ENERGY: 2940200 4019.4271 20670.3752 14486.3911 242.8991 -203378.1648 2630.8496 0.0000 0.0000 51931.0427 -109397.1800 298.4484 -161328.2227 -109038.8376 299.1759 52.2502 83.2344 760838.0700 -10.2808 -10.4409 LDB: ============= START OF LOAD BALANCING ============== 9297.97 LDB: ============== END OF LOAD BALANCING =============== 9297.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9297.97 LDB: ============= START OF LOAD BALANCING ============== 9298.29 LDB: Largest compute 7075 load 0.032087 is 16.4% of average load 0.195445 LDB: Average compute 0.004369 is 2.2% of average load 0.195445 LDB: TIME 9298.29 LOAD: AVG 0.195445 MAX 0.214742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 9298.29 LOAD: AVG 0.195445 MAX 0.214742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 9298.29 LOAD: AVG 0.195445 MAX 0.214742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 9298.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9298.3 PRESSURE: 2940400 67.5372 127.783 154.875 127.783 -10.3293 154.031 154.875 154.032 149.187 GPRESSURE: 2940400 -24.075 98.5368 177.413 41.253 101.288 185.036 115.121 119.835 202.301 PRESSAVG: 2940400 -49.863 -17.1697 9.32377 -17.1696 -23.5386 21.5082 9.3238 21.5082 11.046 GPRESSAVG: 2940400 -50.1622 -19.0023 7.57986 -13.6415 -22.5317 23.3211 8.9922 20.9963 10.9463 TIMING: 2940400 CPU: 9286.08, 0.0032181/step Wall: 9286.08, 0.00321811/step, 1.84111 hours remaining, 236.933594 MB of memory in use. ENERGY: 2940400 3969.0847 20603.5171 14460.6886 261.6223 -203376.1226 2638.0857 0.0000 0.0000 52002.3675 -109440.7567 298.8583 -161443.1242 -109082.1941 299.2044 68.7982 93.1713 761898.9953 -20.7852 -20.5825 PRESSURE: 2940600 -112.676 98.3238 -45.2503 98.3238 146.206 126.562 -45.2501 126.562 73.3431 GPRESSURE: 2940600 -90.9102 74.7675 -5.36142 83.8589 204.071 54.6796 -49.7803 109.484 73.2318 PRESSAVG: 2940600 16.0587 14.6865 37.8166 14.6864 73.0588 53.9542 37.8167 53.9542 4.53078 GPRESSAVG: 2940600 16.7056 16.4911 39.058 10.7724 72.2601 54.1909 38.6238 54.2087 4.50609 TIMING: 2940600 CPU: 9286.71, 0.00313181/step Wall: 9286.71, 0.00313181/step, 1.79157 hours remaining, 236.933594 MB of memory in use. ENERGY: 2940600 3974.8878 20629.4121 14426.4266 229.2390 -203318.2621 2453.3760 0.0000 0.0000 52198.1056 -109406.8149 299.9832 -161604.9206 -109049.2799 299.5925 35.6246 62.1308 760023.7130 31.2161 31.1573 PRESSURE: 2940800 -186.984 57.2987 -69.6529 57.2985 64.3725 -66.508 -69.6519 -66.5074 -428.302 GPRESSURE: 2940800 -7.8454 35.9613 -143.759 -95.4894 -45.1064 -44.2189 -79.3806 -80.1056 -394.451 PRESSAVG: 2940800 -37.787 -12.221 -8.85718 -12.221 45.7552 1.58286 -8.85721 1.58291 -9.46714 GPRESSAVG: 2940800 -37.3757 -10.8301 -9.18548 -12.2681 44.6558 0.995208 -9.28543 1.32757 -9.35781 TIMING: 2940800 CPU: 9287.34, 0.00314461/step Wall: 9287.34, 0.00314461/step, 1.79872 hours remaining, 237.136719 MB of memory in use. ENERGY: 2940800 4000.2967 20444.9078 14472.5145 217.9509 -203473.9824 2592.0093 0.0000 0.0000 52282.3913 -109463.9119 300.4676 -161746.3032 -109087.4542 299.3203 -183.6378 -149.1343 761197.2963 -0.4996 -0.6926 PRESSURE: 2941000 124.759 154.369 7.18298 154.369 -113.592 -82.7079 7.18292 -82.7081 317.658 GPRESSURE: 2941000 65.0485 215.928 35.7746 137.802 53.2416 -91.1235 -17.8897 -85.9814 303.461 PRESSAVG: 2941000 -43.502 18.9901 -91.9042 18.9901 22.3613 16.4958 -91.9042 16.4959 -21.7026 GPRESSAVG: 2941000 -44.78 19.1316 -90.6402 21.1256 25.0222 17.5259 -91.455 15.4264 -21.9653 TIMING: 2941000 CPU: 9287.97, 0.00314957/step Wall: 9287.97, 0.00314957/step, 1.80138 hours remaining, 237.203125 MB of memory in use. ENERGY: 2941000 3998.8437 20552.0144 14466.8033 240.6269 -203955.9417 2930.7836 0.0000 0.0000 52252.1464 -109514.7234 300.2938 -161766.8698 -109156.8811 299.4895 109.6083 140.5837 761477.8455 -14.2811 -13.9077 PRESSURE: 2941200 -321.163 -39.2102 27.1847 -39.2101 -439.492 45.535 27.1846 45.5357 -318.219 GPRESSURE: 2941200 -319.323 -12.458 8.18451 -126.105 -393.719 135.763 151.026 28.1934 -285.981 PRESSAVG: 2941200 -14.1106 75.7832 -63.8272 75.7832 34.8803 -42.7873 -63.8272 -42.7872 16.2564 GPRESSAVG: 2941200 -12.477 72.4885 -65.4723 75.26 34.1989 -43.5206 -62.9115 -39.7911 15.5842 TIMING: 2941200 CPU: 9288.6, 0.00314575/step Wall: 9288.6, 0.00314575/step, 1.79902 hours remaining, 237.203125 MB of memory in use. ENERGY: 2941200 4045.3204 20584.7528 14429.6200 244.2931 -202995.8715 2345.5225 0.0000 0.0000 52033.2158 -109313.1470 299.0356 -161346.3628 -108964.2009 299.5033 -359.6247 -333.0079 763939.7425 12.3421 12.4354 PRESSURE: 2941400 187.66 -138.467 -47.0174 -138.467 9.49868 182.266 -47.0169 182.266 173.782 GPRESSURE: 2941400 250.96 -248.41 -47.3626 -73.2361 58.1309 210.212 -91.1943 232.083 146.671 PRESSAVG: 2941400 -15.2248 -29.7778 11.0088 -29.7778 30.1217 -7.79354 11.0089 -7.79351 -7.81891 GPRESSAVG: 2941400 -16.2577 -29.1644 11.74 -29.8982 30.8292 -8.00837 8.75541 -8.12484 -7.18658 TIMING: 2941400 CPU: 9289.22, 0.00313644/step Wall: 9289.22, 0.00313644/step, 1.79352 hours remaining, 237.203125 MB of memory in use. ENERGY: 2941400 3977.6600 20569.7315 14423.8087 228.8971 -203394.7444 2687.9207 0.0000 0.0000 52404.3493 -109102.3772 301.1685 -161506.7265 -108721.7519 299.5104 123.6471 151.9208 764865.9808 2.3593 2.4616 PRESSURE: 2941600 -203.243 -112.529 237.72 -112.529 336.349 16.3462 237.72 16.3467 461.161 GPRESSURE: 2941600 -28.0721 -21.7885 245.227 -219.24 295.19 97.8106 196.536 7.78646 412.69 PRESSAVG: 2941600 -11.503 34.9658 -25.756 34.9659 60.0569 25.9249 -25.756 25.925 -9.72187 GPRESSAVG: 2941600 -10.0568 34.8368 -27.9896 33.7359 58.409 25.6198 -24.2822 23.3224 -10.042 TIMING: 2941600 CPU: 9289.85, 0.00314971/step Wall: 9289.85, 0.00314971/step, 1.80094 hours remaining, 237.406250 MB of memory in use. ENERGY: 2941600 3890.4408 20611.1352 14555.3653 226.0037 -203244.5745 2628.8034 0.0000 0.0000 52207.8886 -109124.9375 300.0395 -161332.8262 -108762.5902 300.7210 198.0891 226.6027 761285.1912 12.9440 12.7701 PRESSURE: 2941800 -308.146 -263.442 133.174 -263.442 -24.8829 161.321 133.174 161.321 -244.177 GPRESSURE: 2941800 -368.004 -252.389 137.304 -131.665 54.3378 102.702 92.331 224.359 -180.877 PRESSAVG: 2941800 -102.585 -32.7488 -26.7204 -32.7487 108.338 9.74925 -26.7204 9.74928 10.5892 GPRESSAVG: 2941800 -104.451 -30.9912 -23.4593 -31.608 109.117 9.87636 -27.7567 13.0146 11.8456 TIMING: 2941800 CPU: 9290.48, 0.00314312/step Wall: 9290.48, 0.00314312/step, 1.79699 hours remaining, 237.406250 MB of memory in use. ENERGY: 2941800 3969.6962 20559.6533 14519.9585 239.3135 -203035.1318 2380.7924 0.0000 0.0000 52143.6688 -109222.0492 299.6704 -161365.7180 -108859.5070 299.6736 -192.4022 -164.8475 763800.2804 5.4473 5.5037 PRESSURE: 2942000 288.367 120.13 -99.7298 120.13 324.526 -21.436 -99.7302 -21.4356 169.371 GPRESSURE: 2942000 279.735 107.723 -147.328 152.056 348.244 -30.2781 -25.9923 -31.5704 245.957 PRESSAVG: 2942000 -80.6196 -16.9532 -60.3519 -16.9532 78.3379 -13.9911 -60.3519 -13.991 -0.408714 GPRESSAVG: 2942000 -79.8229 -18.2962 -61.7019 -18.2372 78.4259 -14.8226 -60.0025 -17.3474 -0.857305 TIMING: 2942000 CPU: 9291.11, 0.00313992/step Wall: 9291.11, 0.00313992/step, 1.79499 hours remaining, 237.406250 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: 2942000 3911.2095 20582.2518 14485.7082 227.4997 -203414.4772 2764.5411 0.0000 0.0000 52141.3058 -109301.9611 299.6568 -161443.2669 -108940.4913 299.2743 260.7546 291.3118 762771.2165 -0.8968 -0.7514 PRESSURE: 2942200 290.41 45.9841 97.193 45.9848 367.37 -58.8122 97.1929 -58.8124 243.469 GPRESSURE: 2942200 327.108 94.5595 139.5 10.4247 433.207 16.7499 128.918 -68.1495 239.978 PRESSAVG: 2942200 8.20738 35.3796 -14.3061 35.3795 -21.8104 14.9594 -14.3061 14.9593 -10.5138 GPRESSAVG: 2942200 8.97473 36.4543 -13.3794 38.9876 -22.534 15.2721 -13.238 17.0511 -10.7536 TIMING: 2942200 CPU: 9291.74, 0.00316047/step Wall: 9291.74, 0.00316047/step, 1.80656 hours remaining, 237.406250 MB of memory in use. ENERGY: 2942200 3940.2251 20494.6705 14437.0296 235.5516 -203439.7757 2945.5629 0.0000 0.0000 52305.2371 -109081.4989 300.5989 -161386.7360 -108709.9019 299.5366 300.4160 333.4309 762715.4187 -8.0389 -8.1043 PRESSURE: 2942400 214.517 -72.3481 21.8252 -72.3467 -31.2347 -33.6733 21.8259 -33.6734 -88.1912 GPRESSURE: 2942400 151.968 -88.3689 45.9141 -53.2497 116.369 -40.9666 -81.3949 -182.888 -89.6052 PRESSAVG: 2942400 -15.432 15.6291 -17.9514 15.6292 -6.58213 -31.4068 -17.9514 -31.4067 -22.0466 GPRESSAVG: 2942400 -17.1828 17.1148 -18.1648 11.8604 -5.10488 -29.2692 -19.9208 -33.1846 -21.5133 TIMING: 2942400 CPU: 9292.37, 0.00313843/step Wall: 9292.37, 0.00313843/step, 1.79379 hours remaining, 237.406250 MB of memory in use. ENERGY: 2942400 3990.8698 20505.2809 14488.4178 248.3513 -203323.3582 2905.5892 0.0000 0.0000 52261.2156 -108923.6335 300.3459 -161184.8491 -108553.3085 300.0804 31.6969 59.5771 763902.7212 -14.6869 -14.6003 PRESSURE: 2942600 -256.501 21.9327 207.4 21.932 -199.507 -90.6756 207.4 -90.6747 -27.5645 GPRESSURE: 2942600 -129.638 -22.0518 281.677 119.869 -283.783 -69.3112 85.8459 -82.6113 13.1944 PRESSAVG: 2942600 28.1243 32.1821 8.68497 32.182 16.2778 -11.0399 8.68494 -11.04 -3.24884 GPRESSAVG: 2942600 28.491 29.776 9.39286 33.0921 16.4704 -13.7195 9.54676 -11.1282 -3.76756 TIMING: 2942600 CPU: 9293, 0.00314879/step Wall: 9293, 0.00314879/step, 1.79953 hours remaining, 237.406250 MB of memory in use. ENERGY: 2942600 4070.2780 20617.5111 14451.0948 224.8001 -203312.7472 2659.9985 0.0000 0.0000 52256.3523 -109032.7123 300.3180 -161289.0646 -108664.1670 300.2119 -161.1910 -133.4090 764232.0107 13.7178 13.7313 PRESSURE: 2942800 263.106 13.2319 -52.9479 13.2327 581.806 -146.65 -52.9495 -146.651 43.6429 GPRESSURE: 2942800 318.774 83.7758 41.1723 -94.7897 490.926 -184.839 -57.6232 -91.9656 168.963 PRESSAVG: 2942800 -2.54374 -5.96455 14.1955 -5.96458 17.7818 -4.95543 14.1955 -4.95549 9.68173 GPRESSAVG: 2942800 -1.28981 -2.79688 12.8789 -7.29618 17.0379 -4.47224 16.3445 -3.43471 9.16277 TIMING: 2942800 CPU: 9293.63, 0.00315428/step Wall: 9293.63, 0.00315428/step, 1.80249 hours remaining, 237.406250 MB of memory in use. ENERGY: 2942800 3944.8356 20553.8590 14348.8861 229.9382 -203433.1035 2856.7995 0.0000 0.0000 52178.2730 -109320.5122 299.8693 -161498.7852 -108954.6397 300.0686 296.1850 326.2210 760704.3791 8.3066 8.3036 PRESSURE: 2943000 104.009 105.313 197.028 105.314 416.194 1.97296 197.028 1.97444 -216.175 GPRESSURE: 2943000 195.473 195.641 199.217 188.092 448.941 53.4334 155.101 -11.5949 -254.951 PRESSAVG: 2943000 -30.4887 -26.405 -27.941 -26.405 0.978143 -31.5593 -27.941 -31.5593 -22.4712 GPRESSAVG: 2943000 -31.8532 -30.5274 -28.0571 -23.5377 1.16351 -31.6829 -29.3203 -32.1874 -21.3136 TIMING: 2943000 CPU: 9294.26, 0.00314892/step Wall: 9294.26, 0.00314892/step, 1.79926 hours remaining, 237.406250 MB of memory in use. ENERGY: 2943000 4012.4417 20535.9077 14452.2145 230.9156 -203335.6852 2642.6712 0.0000 0.0000 52481.9363 -108979.5982 301.6144 -161461.5345 -108614.6770 299.8308 101.3429 129.8212 761386.4659 -17.3273 -17.3344 PRESSURE: 2943200 -272.114 24.6194 125.473 24.6193 -254.359 61.4049 125.473 61.4055 128.443 GPRESSURE: 2943200 -346.849 -36.8282 158.053 11.6179 -154.433 44.4782 42.2551 69.4308 172.923 PRESSAVG: 2943200 -4.72505 1.97962 -18.1505 1.97959 -18.3301 -30.5795 -18.1505 -30.5793 29.2991 GPRESSAVG: 2943200 -5.20033 1.23056 -18.1777 0.919926 -17.8898 -28.7639 -17.2917 -32.4244 29.7224 TIMING: 2943200 CPU: 9294.89, 0.0031479/step Wall: 9294.89, 0.0031479/step, 1.7985 hours remaining, 237.406250 MB of memory in use. ENERGY: 2943200 4001.6087 20659.3634 14557.7605 227.2009 -202622.5608 2146.7050 0.0000 0.0000 52083.5863 -108946.3360 299.3251 -161029.9223 -108585.9767 300.4054 -132.6768 -109.4530 762841.2709 2.0813 2.2107 PRESSURE: 2943400 -18.7862 96.2455 149.654 96.2453 86.7339 72.1839 149.655 72.1827 390.945 GPRESSURE: 2943400 -5.99417 49.4033 63.6243 188.465 139.157 134.629 230.337 -50.4308 396.892 PRESSAVG: 2943400 6.91715 -6.64658 59.8229 -6.64659 -20.5849 50.5506 59.8228 50.5505 -3.25741 GPRESSAVG: 2943400 7.14436 -4.13714 59.5432 -7.95265 -21.7349 50.3743 56.9071 50.6639 -2.82215 TIMING: 2943400 CPU: 9295.52, 0.00314331/step Wall: 9295.52, 0.00314331/step, 1.7957 hours remaining, 237.406250 MB of memory in use. ENERGY: 2943400 4017.5790 20620.7746 14434.4988 245.6315 -203349.5194 2922.8646 0.0000 0.0000 52326.4658 -108781.7051 300.7209 -161108.1709 -108431.6550 300.3171 152.9643 176.6848 763115.0231 -5.6417 -5.8042 PRESSURE: 2943600 80.4121 -188.874 -26.6948 -188.875 2.70971 112.791 -26.6941 112.791 165.965 GPRESSURE: 2943600 117.314 -193.584 53.0085 -205.091 30.4121 89.7688 -61.5025 128.219 210.241 PRESSAVG: 2943600 -19.7477 -35.7319 21.3845 -35.7319 20.7384 -23.1811 21.3845 -23.1811 1.96729 GPRESSAVG: 2943600 -18.3071 -35.6304 21.6242 -37.4372 22.1152 -22.8533 24.0311 -20.8402 -0.896746 TIMING: 2943600 CPU: 9296.15, 0.00316477/step Wall: 9296.15, 0.00316477/step, 1.80779 hours remaining, 237.406250 MB of memory in use. ENERGY: 2943600 3921.6291 20686.4429 14472.4026 254.2459 -203338.0670 2762.0905 0.0000 0.0000 52475.4090 -108765.8470 301.5769 -161241.2560 -108413.0968 301.4624 83.0291 119.3224 762206.9142 0.9860 0.9705 PRESSURE: 2943800 188.602 -119.154 -22.1803 -119.153 -360.7 -28.1135 -22.18 -28.1138 71.4918 GPRESSURE: 2943800 185.049 -189.708 -28.9453 -55.5331 -268.217 59.2866 -38.6873 -134.719 83.1064 PRESSAVG: 2943800 28.9843 -20.9498 7.60917 -20.9499 12.8822 -12.8677 7.60922 -12.8677 8.38847 GPRESSAVG: 2943800 27.2487 -20.2885 6.8978 -18.863 12.2728 -12.9526 6.22524 -14.447 10.0984 TIMING: 2943800 CPU: 9296.78, 0.00313692/step Wall: 9296.78, 0.00313692/step, 1.79171 hours remaining, 237.406250 MB of memory in use. ENERGY: 2943800 3958.8003 20603.1100 14446.3637 253.4652 -203076.6809 2658.3945 0.0000 0.0000 52201.1993 -108955.3479 300.0010 -161156.5472 -108590.0411 301.0234 -33.5352 -0.0208 761902.5144 16.7517 16.5399 PRESSURE: 2944000 470.55 30.1117 34.2308 30.1114 80.0794 -136.174 34.2312 -136.174 -266.874 GPRESSURE: 2944000 422.388 68.3853 151.725 -67.342 262.097 -197.668 63.5799 -14.8619 -307.298 PRESSAVG: 2944000 -16.0184 27.9693 23.3845 27.9693 7.32469 -7.33086 23.3844 -7.33093 24.3033 GPRESSAVG: 2944000 -16.0208 26.9925 25.5787 27.5507 7.89431 -7.16339 22.4024 -8.00599 23.2765 TIMING: 2944000 CPU: 9297.41, 0.0031444/step Wall: 9297.41, 0.0031444/step, 1.7958 hours remaining, 237.406250 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: 2944000 3932.0245 20685.0803 14400.4227 233.1016 -203357.0333 2888.1089 0.0000 0.0000 52212.3728 -109005.9225 300.0652 -161218.2953 -108647.0729 299.8356 94.5851 125.7293 761806.1436 5.2032 5.0500 PRESSURE: 2944200 -266.392 51.5733 35.7102 51.5737 55.34 230.546 35.7093 230.546 -63.9609 GPRESSURE: 2944200 -191.951 18.1988 0.351047 -16.0926 56.1803 380.232 133.864 99.2991 -36.5664 PRESSAVG: 2944200 -7.17432 -3.70456 27.5983 -3.70459 -8.18071 -37.8167 27.5982 -37.8167 6.60568 GPRESSAVG: 2944200 -5.73044 -2.898 25.0364 -3.86635 -9.8266 -39.9332 29.0591 -36.2827 7.19571 TIMING: 2944200 CPU: 9298.04, 0.00314875/step Wall: 9298.04, 0.00314875/step, 1.79811 hours remaining, 237.406250 MB of memory in use. ENERGY: 2944200 3996.5583 20428.6404 14448.1390 244.6839 -203431.4597 2603.7076 0.0000 0.0000 52284.4737 -109425.2568 300.4796 -161709.7305 -109057.9304 299.9877 -91.6710 -57.4456 761697.0732 -2.9165 -2.7871 LDB: ============= START OF LOAD BALANCING ============== 9310.57 LDB: ============== END OF LOAD BALANCING =============== 9310.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9310.57 LDB: ============= START OF LOAD BALANCING ============== 9310.88 LDB: Largest compute 7071 load 0.032219 is 16.5% of average load 0.195491 LDB: Average compute 0.004373 is 2.2% of average load 0.195491 LDB: TIME 9310.89 LOAD: AVG 0.195491 MAX 0.215328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.488 MB LDB: TIME 9310.89 LOAD: AVG 0.195491 MAX 0.215328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: TIME 9310.89 LOAD: AVG 0.195491 MAX 0.215328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: ============== END OF LOAD BALANCING =============== 9310.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9310.89 PRESSURE: 2944400 96.7644 50.602 212.809 50.6019 -222.02 8.75141 212.809 8.75039 213.026 GPRESSURE: 2944400 135.993 -45.2218 251.702 38.1691 -201.766 -46.9194 138.37 -216.379 247.087 PRESSAVG: 2944400 34.7132 -36.8068 -8.66332 -36.8069 -18.254 -4.72472 -8.66337 -4.72475 -8.82348 GPRESSAVG: 2944400 33.8354 -36.6899 -7.79356 -37.697 -18.0292 -4.8175 -8.9456 -5.42121 -7.96079 TIMING: 2944400 CPU: 9298.68, 0.00320418/step Wall: 9298.68, 0.00320418/step, 1.82959 hours remaining, 236.089844 MB of memory in use. ENERGY: 2944400 4032.4650 20608.0091 14402.8861 237.7988 -203014.6992 2616.1800 0.0000 0.0000 51791.0745 -109326.2857 297.6440 -161117.3602 -108967.8169 299.5877 29.2571 60.4377 762100.3960 2.5453 2.6151 PRESSURE: 2944600 212.896 -195.796 40.4633 -195.795 122.873 105.735 40.4622 105.736 -77.663 GPRESSURE: 2944600 220.166 -132.99 79.3468 -290.689 173.375 127.739 140.688 -55.3234 -57.9274 PRESSAVG: 2944600 80.23 0.123696 1.22344 0.123698 -28.0448 -55.1881 1.22341 -55.1881 20.6957 GPRESSAVG: 2944600 79.3516 -1.84796 0.386838 0.38715 -27.76 -53.2105 2.38676 -55.5262 20.8701 TIMING: 2944600 CPU: 9299.31, 0.00316037/step Wall: 9299.31, 0.00316037/step, 1.80439 hours remaining, 236.089844 MB of memory in use. ENERGY: 2944600 3984.0820 20477.5388 14427.2913 252.0847 -203165.6796 2796.1629 0.0000 0.0000 52109.3979 -109119.1221 299.4734 -161228.5200 -108749.9297 299.3165 86.0352 111.8712 762392.0620 24.2936 24.1539 PRESSURE: 2944800 -29.1329 139.667 -274.745 139.667 -325.51 -6.31221 -274.744 -6.31178 -135.51 GPRESSURE: 2944800 -116.087 149.481 -148.109 13.4522 -246.117 -50.5175 -285.056 -123.315 -43.8828 PRESSAVG: 2944800 3.79506 -17.0176 17.0322 -17.0177 6.38766 0.993151 17.0322 0.993056 5.51473 GPRESSAVG: 2944800 3.61349 -15.5971 16.3173 -17.7146 6.67271 -0.429106 17.1945 1.78204 5.1019 TIMING: 2944800 CPU: 9299.94, 0.00314266/step Wall: 9299.94, 0.00314266/step, 1.79411 hours remaining, 236.292969 MB of memory in use. ENERGY: 2944800 3981.2466 20558.1061 14317.3747 255.5137 -202754.7171 2281.0959 0.0000 0.0000 52274.3199 -109087.0602 300.4212 -161361.3801 -108728.9447 299.9212 -163.3846 -135.3623 762373.2297 5.2325 5.1294 PRESSURE: 2945000 -441.489 -17.1866 97.8932 -17.187 333.846 153.676 97.893 153.676 -237.659 GPRESSURE: 2945000 -300.39 -96.8194 137.856 -15.3775 333.435 222.415 -8.82078 114.869 -287.612 PRESSAVG: 2945000 13.0829 -22.683 14.6974 -22.683 32.0489 -29.515 14.6974 -29.515 1.11519 GPRESSAVG: 2945000 15.2478 -25.216 16.2287 -21.985 32.1545 -28.7925 15.8422 -29.9082 -0.505921 TIMING: 2945000 CPU: 9300.57, 0.00314734/step Wall: 9300.57, 0.00314734/step, 1.79661 hours remaining, 236.292969 MB of memory in use. ENERGY: 2945000 4018.6433 20662.5299 14355.5700 241.6438 -203101.9727 2452.6707 0.0000 0.0000 52158.4376 -109212.4773 299.7553 -161370.9150 -108844.9376 299.9732 -115.1007 -84.8554 761364.6730 15.4157 15.6321 PRESSURE: 2945200 -142.19 104.751 -45.4963 104.75 -197.975 198.227 -45.4967 198.226 -58.6086 GPRESSURE: 2945200 -112.312 194.863 -2.2855 157.841 -146.068 143.682 -63.1068 63.3539 -39.7659 PRESSAVG: 2945200 23.0662 11.7893 42.5999 11.7893 3.04907 -25.248 42.5999 -25.248 -17.5393 GPRESSAVG: 2945200 21.3625 13.9847 42.5306 11.8134 3.63661 -25.7674 41.0656 -23.3131 -16.1679 TIMING: 2945200 CPU: 9301.2, 0.00315251/step Wall: 9301.2, 0.00315251/step, 1.79938 hours remaining, 236.292969 MB of memory in use. ENERGY: 2945200 3948.7620 20596.6644 14420.8483 253.3409 -203401.6630 2577.9205 0.0000 0.0000 52139.8531 -109464.2740 299.6485 -161604.1271 -109100.8671 299.3606 -132.9243 -99.3818 761745.7342 2.8586 2.9437 PRESSURE: 2945400 -49.4521 107.541 -64.0367 107.542 -12.0543 -67.1075 -64.0359 -67.1076 -343.908 GPRESSURE: 2945400 -57.9383 96.9104 -131.109 77.1405 22.1214 70.5378 47.8924 -15.1475 -304.968 PRESSAVG: 2945400 -8.09341 31.0686 -36.4475 31.0685 -30.1861 -40.4347 -36.4474 -40.4347 18.3204 GPRESSAVG: 2945400 -8.4735 29.6031 -35.5788 32.629 -29.2732 -38.2537 -36.634 -43.0212 17.5014 TIMING: 2945400 CPU: 9301.83, 0.00316419/step Wall: 9301.83, 0.00316419/step, 1.80587 hours remaining, 236.292969 MB of memory in use. ENERGY: 2945400 4082.5862 20539.8576 14437.7938 235.6220 -203195.0546 2623.3704 0.0000 0.0000 52042.0612 -109233.7634 299.0864 -161275.8247 -108856.2811 299.3029 -135.1382 -113.5950 761118.3087 -6.6530 -6.7484 PRESSURE: 2945600 200.949 79.0864 -44.4223 79.0863 109.76 -88.5831 -44.4224 -88.5836 -42.6183 GPRESSURE: 2945600 231.305 121.728 58.8556 -6.62412 101.152 -79.4793 -92.0518 -12.4559 3.49139 PRESSAVG: 2945600 -11.1633 8.0523 -8.92428 8.05228 36.5903 7.06109 -8.92422 7.06111 -13.9225 GPRESSAVG: 2945600 -10.261 9.01285 -9.73308 5.85942 35.9824 4.88854 -8.8234 9.06502 -14.4646 TIMING: 2945600 CPU: 9302.46, 0.00314324/step Wall: 9302.46, 0.00314324/step, 1.79374 hours remaining, 236.437500 MB of memory in use. ENERGY: 2945600 3981.6779 20430.5726 14387.6767 244.3757 -203205.8447 2508.1212 0.0000 0.0000 52287.9052 -109365.5154 300.4993 -161653.4206 -108989.1783 299.8902 89.3637 111.9827 762500.4300 3.8348 3.7523 PRESSURE: 2945800 334.154 5.71211 89.1719 5.71189 -10.2358 -123.246 89.1721 -123.245 370.463 GPRESSURE: 2945800 408.798 33.9277 47.4914 -70.1968 -32.9868 -132.707 119.673 -213.195 390.428 PRESSAVG: 2945800 7.19666 -11.3642 3.96927 -11.3642 -30.0392 -3.00479 3.96921 -3.0048 15.1316 GPRESSAVG: 2945800 6.70504 -10.0993 2.85668 -9.6927 -30.7862 -5.14876 4.82523 -2.33118 16.314 TIMING: 2945800 CPU: 9303.09, 0.00315727/step Wall: 9303.09, 0.00315727/step, 1.80157 hours remaining, 236.437500 MB of memory in use. ENERGY: 2945800 3970.8160 20308.4640 14391.6068 251.3473 -203327.6877 2985.9469 0.0000 0.0000 52113.6123 -109305.8944 299.4976 -161419.5067 -108947.3961 299.6357 231.4604 255.4131 764358.1787 -2.5703 -2.5891 PRESSURE: 2946000 -11.4563 -173.395 92.9151 -173.395 -354.732 165.896 92.9153 165.896 297.482 GPRESSURE: 2946000 -59.4973 -54.4838 52.6925 -200.134 -215.417 118.284 21.1691 45.2436 294.895 PRESSAVG: 2946000 13.6216 31.0198 -18.9784 31.0198 -37.6587 4.72167 -18.9784 4.72162 -17.592 GPRESSAVG: 2946000 13.2222 30.8907 -17.8022 31.8543 -35.9325 6.62956 -18.8203 4.29002 -18.6097 TIMING: 2946000 CPU: 9303.72, 0.00312322/step Wall: 9303.72, 0.00312322/step, 1.78197 hours remaining, 236.437500 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: 2946000 3901.7858 20532.6843 14241.9012 241.5030 -203222.2796 2756.4660 0.0000 0.0000 52325.2040 -109222.7354 300.7137 -161547.9394 -108864.2410 299.8705 -22.9021 6.6603 762727.3433 -13.8764 -13.7733 PRESSURE: 2946200 -117.652 10.0903 27.5423 10.0907 84.7197 29.5408 27.5428 29.5404 338.105 GPRESSURE: 2946200 -126.258 26.5878 32.7826 -59.5691 140.67 24.4578 63.4725 76.2747 372.171 PRESSAVG: 2946200 -23.5616 9.27129 -15.5565 9.27132 14.5957 -36.6224 -15.5566 -36.6225 11.0266 GPRESSAVG: 2946200 -23.9155 8.1181 -17.2917 7.41865 13.1449 -36.822 -14.5714 -37.8676 13.0402 TIMING: 2946200 CPU: 9304.35, 0.00314612/step Wall: 9304.35, 0.00314612/step, 1.79486 hours remaining, 236.437500 MB of memory in use. ENERGY: 2946200 4048.7129 20432.6711 14404.4815 256.6835 -202588.5921 2389.0533 0.0000 0.0000 52102.3326 -108954.6573 299.4328 -161056.9899 -108595.1470 299.9177 101.7244 128.8612 762038.3440 0.6869 0.7565 PRESSURE: 2946400 -330.283 68.9043 51.9924 68.905 157.52 -41.0521 51.9917 -41.0513 -615.289 GPRESSURE: 2946400 -237.498 46.7193 85.7409 186.252 104.514 -19.4434 25.7309 -9.60558 -566.029 PRESSAVG: 2946400 -21.4344 -14.1619 50.7537 -14.162 58.2725 -55.7992 50.7537 -55.7992 -5.46962 GPRESSAVG: 2946400 -18.7468 -13.4472 51.9701 -12.4892 56.9541 -54.9494 49.9637 -56.3974 -6.45535 TIMING: 2946400 CPU: 9304.98, 0.00315664/step Wall: 9304.98, 0.00315664/step, 1.80069 hours remaining, 236.503906 MB of memory in use. ENERGY: 2946400 3986.8255 20321.9241 14393.0744 248.0624 -202474.8764 2317.8131 0.0000 0.0000 52254.5001 -108952.6768 300.3073 -161207.1769 -108586.1222 300.6472 -262.6839 -233.0043 762599.9937 10.4562 10.5840 PRESSURE: 2946600 -67.0801 -78.1356 99.153 -78.1349 -71.0202 -141.627 99.1519 -141.627 -172.147 GPRESSURE: 2946600 -66.4986 -22.1779 4.69546 -134.763 -58.5725 -90.8489 35.1995 -126.304 -101.405 PRESSAVG: 2946600 -25.8887 -27.518 20.0003 -27.518 19.5674 -13.2274 20.0003 -13.2273 -24.6179 GPRESSAVG: 2946600 -28.732 -27.6589 20.0035 -28.4426 21.7389 -12.9829 18.3542 -12.1589 -24.0448 TIMING: 2946600 CPU: 9305.6, 0.00314101/step Wall: 9305.6, 0.00314101/step, 1.7916 hours remaining, 236.503906 MB of memory in use. ENERGY: 2946600 3952.3191 20574.1926 14422.5865 233.8420 -202394.4711 2070.9795 0.0000 0.0000 52209.7840 -108930.7674 300.0503 -161140.5514 -108573.0307 299.7355 -103.4156 -75.4919 764283.5187 -10.3131 -10.3460 PRESSURE: 2946800 216.9 27.3286 188.333 27.3291 349.122 -11.1513 188.333 -11.1526 330.484 GPRESSURE: 2946800 302.134 -24.9061 181.066 137.265 397.937 -69.6121 74.8289 -104.935 276.067 PRESSAVG: 2946800 -32.0763 18.9719 38.5392 18.9719 -16.1699 -3.49489 38.5391 -3.49491 1.19136 GPRESSAVG: 2946800 -31.0815 18.5654 38.339 18.5116 -16.7377 -4.41017 42.3118 -3.79842 0.30883 TIMING: 2946800 CPU: 9306.24, 0.00315268/step Wall: 9306.24, 0.00315268/step, 1.79808 hours remaining, 236.503906 MB of memory in use. ENERGY: 2946800 3876.3133 20327.3123 14450.9999 244.0016 -202942.4238 2614.0745 0.0000 0.0000 52533.0858 -108896.6363 301.9084 -161429.7221 -108525.0119 300.2071 298.8355 325.3798 762621.5312 -15.6849 -15.8368 PRESSURE: 2947000 173.283 48.0984 -163.006 48.0986 -51.5819 -40.3586 -163.006 -40.3576 95.416 GPRESSURE: 2947000 256.038 112.994 -132.568 58.444 -88.5788 -44.6522 -84.8893 -48.6149 138.541 PRESSAVG: 2947000 6.32725 -21.5049 38.2998 -21.5049 18.1598 36.0503 38.2999 36.0503 20.3167 GPRESSAVG: 2947000 6.37837 -22.9817 39.3103 -20.7049 17.4998 36.3975 35.1254 36.1167 21.0611 TIMING: 2947000 CPU: 9306.87, 0.00315125/step Wall: 9306.87, 0.00315125/step, 1.79709 hours remaining, 236.503906 MB of memory in use. ENERGY: 2947000 4004.1141 20594.0702 14560.6652 254.6362 -203193.8293 2684.0945 0.0000 0.0000 52109.9852 -108986.2640 299.4768 -161096.2491 -108630.0097 299.8705 72.3725 102.0001 762160.3309 14.9346 14.9798 PRESSURE: 2947200 -450.952 -66.2542 -174.683 -66.2545 -34.4398 -174.401 -174.683 -174.401 -180.194 GPRESSURE: 2947200 -404.356 -31.3668 -140.08 -10.9363 -64.238 -105.447 -92.9724 -166.636 -118.893 PRESSAVG: 2947200 24.3188 -24.8014 27.5903 -24.8014 -47.8833 8.67783 27.5903 8.67784 -25.2009 GPRESSAVG: 2947200 24.1303 -24.355 27.2595 -22.274 -47.5959 9.27031 28.6239 8.78591 -25.5232 TIMING: 2947200 CPU: 9307.5, 0.00317097/step Wall: 9307.5, 0.00317097/step, 1.80816 hours remaining, 236.503906 MB of memory in use. ENERGY: 2947200 4024.4826 20248.5665 14471.7213 239.7923 -202442.4896 2345.9339 0.0000 0.0000 52260.6299 -108851.3632 300.3426 -161111.9930 -108497.3416 300.0639 -221.8620 -195.8290 765026.2965 -16.2551 -16.3296 PRESSURE: 2947400 -87.3316 30.1623 81.6174 30.1621 -145.086 66.7214 81.6174 66.7209 84.0325 GPRESSURE: 2947400 -66.0807 -60.3367 149.578 4.22067 -77.4198 22.3867 -29.6037 -19.1635 89.7653 PRESSAVG: 2947400 49.2378 -37.7328 -53.1907 -37.7328 -45.3405 18.4903 -53.1907 18.4904 4.38462 GPRESSAVG: 2947400 49.4698 -35.6193 -53.2005 -40.0603 -45.9753 17.5765 -54.735 19.4341 4.81453 TIMING: 2947400 CPU: 9308.13, 0.00314897/step Wall: 9308.13, 0.00314897/step, 1.79544 hours remaining, 236.503906 MB of memory in use. ENERGY: 2947400 4012.0035 20345.9009 14398.8981 234.6971 -202859.7535 2752.1829 0.0000 0.0000 52248.5835 -108867.4875 300.2733 -161116.0710 -108497.9034 300.1662 -49.4617 -17.9117 762958.9849 2.7606 2.7697 PRESSURE: 2947600 344.745 81.833 133.499 81.8325 -182.216 11.7926 133.5 11.7923 13.3219 GPRESSURE: 2947600 207.738 96.8843 44.2893 29.4043 -26.577 35.666 86.6418 60.41 90.6373 PRESSAVG: 2947600 -0.241724 -45.3663 -13.6829 -45.3663 23.9466 47.1143 -13.6828 47.1143 -6.06633 GPRESSAVG: 2947600 -1.70683 -45.691 -14.116 -45.7336 25.4778 48.176 -9.28698 46.1007 -6.06713 TIMING: 2947600 CPU: 9308.76, 0.00313756/step Wall: 9308.76, 0.00313756/step, 1.78876 hours remaining, 236.503906 MB of memory in use. ENERGY: 2947600 3954.5735 20426.1942 14424.8091 247.2193 -202877.6328 2817.9192 0.0000 0.0000 52038.5689 -108968.3486 299.0664 -161006.9175 -108609.1135 300.1314 58.6168 90.5995 763461.6285 5.8795 5.9013 PRESSURE: 2947800 -94.7109 132.554 -25.2631 132.553 -54.4404 163.286 -25.2632 163.286 -59.8352 GPRESSURE: 2947800 -60.6549 148.889 -88.3054 121.452 -70.2332 172.053 -33.3266 67.1064 16.9259 PRESSAVG: 2947800 -6.39584 -52.3343 37.1436 -52.3343 7.19988 56.7677 37.1437 56.7677 -24.5232 GPRESSAVG: 2947800 -4.90181 -53.3738 37.1558 -50.8362 6.74667 55.8404 33.9366 58.8193 -26.1764 TIMING: 2947800 CPU: 9309.39, 0.00315367/step Wall: 9309.39, 0.00315367/step, 1.79776 hours remaining, 236.503906 MB of memory in use. ENERGY: 2947800 4058.4825 20446.1008 14323.9075 248.1937 -203225.7053 2853.4925 0.0000 0.0000 52160.5252 -109135.0030 299.7673 -161295.5282 -108774.4202 299.9492 -69.6622 -37.9874 762257.9023 -7.9064 -8.1105 PRESSURE: 2948000 -91.9454 48.4729 90.086 48.473 -160.783 102.43 90.0856 102.43 -29.2966 GPRESSURE: 2948000 -77.9984 -35.2923 113.973 -35.3394 -65.3507 199.159 175.6 -47.1558 -65.78 PRESSAVG: 2948000 -5.02903 -40.7353 -10.4643 -40.7353 -11.7076 19.1228 -10.4643 19.1227 26.8361 GPRESSAVG: 2948000 -4.89609 -40.5106 -10.8296 -40.3426 -11.8144 18.525 -8.96688 16.6796 26.5997 TIMING: 2948000 CPU: 9310.02, 0.00314556/step Wall: 9310.02, 0.00314556/step, 1.79297 hours remaining, 236.503906 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: 2948000 3944.0321 20416.0804 14464.2435 235.2914 -203144.1342 2712.9481 0.0000 0.0000 52322.8941 -109048.6445 300.7004 -161371.5386 -108680.7496 299.9138 -94.0082 -69.7097 764724.7768 3.3665 3.2964 PRESSURE: 2948200 221.995 -42.4218 -102.94 -42.4229 -125.396 -280.805 -102.941 -280.805 153.362 GPRESSURE: 2948200 203.425 -69.6844 -64.819 -66.5616 -71.5244 -193.863 -96.6472 -333.752 200.555 PRESSAVG: 2948200 23.0067 -41.5455 7.42815 -41.5455 -3.2807 37.0371 7.42817 37.0372 8.01568 GPRESSAVG: 2948200 22.3106 -40.328 7.39633 -43.2456 -3.43345 38.7529 3.93926 37.3963 8.96791 TIMING: 2948200 CPU: 9310.65, 0.00315162/step Wall: 9310.65, 0.00315162/step, 1.79625 hours remaining, 236.503906 MB of memory in use. ENERGY: 2948200 3930.2276 20627.2745 14489.3869 246.8467 -202760.1842 2503.7763 0.0000 0.0000 52102.9992 -108859.6729 299.4367 -160962.6721 -108507.6514 300.1032 83.3203 110.8187 762837.9966 9.2472 9.2817 LDB: ============= START OF LOAD BALANCING ============== 9323.18 LDB: ============== END OF LOAD BALANCING =============== 9323.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9323.18 LDB: ============= START OF LOAD BALANCING ============== 9323.49 LDB: Largest compute 7075 load 0.032336 is 16.5% of average load 0.195551 LDB: Average compute 0.004362 is 2.2% of average load 0.195551 LDB: TIME 9323.5 LOAD: AVG 0.195551 MAX 0.214433 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 9323.5 LOAD: AVG 0.195551 MAX 0.214433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: TIME 9323.5 LOAD: AVG 0.195551 MAX 0.214433 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.684 MB LDB: ============== END OF LOAD BALANCING =============== 9323.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9323.5 PRESSURE: 2948400 -444.574 -124.405 -57.6963 -124.404 -248.373 -245.786 -57.6965 -245.786 -225.079 GPRESSURE: 2948400 -321.002 5.7732 -67.387 -229.545 -221.344 -185.5 16.0444 -205.986 -280.51 PRESSAVG: 2948400 67.0766 2.59895 -3.26754 2.59886 -52.1389 -61.4435 -3.26757 -61.4436 18.0996 GPRESSAVG: 2948400 66.568 2.61772 -3.54164 3.69406 -51.0457 -63.7209 0.229727 -60.3064 17.376 TIMING: 2948400 CPU: 9311.29, 0.00319636/step Wall: 9311.29, 0.00319636/step, 1.82157 hours remaining, 235.652344 MB of memory in use. ENERGY: 2948400 4039.2235 20599.2883 14458.6654 258.8358 -203181.2295 2438.4776 0.0000 0.0000 52364.6043 -109022.1346 300.9401 -161386.7388 -108662.9529 299.7842 -306.0088 -274.2854 763279.0799 11.0125 10.9661 PRESSURE: 2948600 -1.94418 100.711 -52.1599 100.711 -192.334 -8.05434 -52.1601 -8.05393 204.575 GPRESSURE: 2948600 38.0964 55.5608 -10.7921 -33.0671 -179.992 -10.0922 7.45419 -3.62717 235.762 PRESSAVG: 2948600 30.5162 28.6776 42.3904 28.6776 -35.841 32.473 42.3904 32.473 23.7005 GPRESSAVG: 2948600 29.7668 30.4339 43.4877 26.2722 -36.9769 32.7802 43.4844 31.6871 25.3079 TIMING: 2948600 CPU: 9311.91, 0.00313747/step Wall: 9311.91, 0.00313748/step, 1.78784 hours remaining, 235.722656 MB of memory in use. ENERGY: 2948600 4065.1562 20471.5860 14483.2236 246.3463 -203165.7523 2724.9155 0.0000 0.0000 52274.1607 -108900.3638 300.4203 -161174.5245 -108535.8888 300.0526 3.4324 31.2886 764002.1543 6.1252 6.0326 PRESSURE: 2948800 143.685 102.678 225.118 102.678 -117.795 62.0834 225.118 62.0832 -6.00936 GPRESSURE: 2948800 183.721 12.4864 120.383 91.9057 -95.7175 60.1186 187.228 -2.28535 18.8681 PRESSAVG: 2948800 -37.8353 -33.731 21.822 -33.731 12.5435 79.8022 21.8221 79.8023 21.1397 GPRESSAVG: 2948800 -36.1597 -37.2853 20.8684 -32.4885 12.5862 80.3863 19.8021 79.1251 19.7347 TIMING: 2948800 CPU: 9312.54, 0.00314884/step Wall: 9312.54, 0.00314884/step, 1.79414 hours remaining, 235.925781 MB of memory in use. ENERGY: 2948800 3926.6653 20681.4723 14493.1577 248.0135 -203195.6949 2783.0204 0.0000 0.0000 52175.8587 -108887.5070 299.8554 -161063.3657 -108516.1633 300.3680 6.6268 35.6237 766148.3382 -1.3840 -1.2796 PRESSURE: 2949000 -18.2702 -42.1729 171.795 -42.1733 138.827 96.0276 171.796 96.0273 -83.2956 GPRESSURE: 2949000 -12.0069 -45.9993 110.189 -71.8809 164.894 143.085 185.229 70.9551 -26.3985 PRESSAVG: 2949000 4.5742 12.9578 63.0963 12.9578 20.0198 9.19704 63.0963 9.19707 23.3567 GPRESSAVG: 2949000 4.45672 13.0978 62.5884 13.7862 20.2603 7.85375 60.9902 9.05517 23.2456 TIMING: 2949000 CPU: 9313.18, 0.00315662/step Wall: 9313.18, 0.00315662/step, 1.7984 hours remaining, 235.925781 MB of memory in use. ENERGY: 2949000 4030.6774 20487.5110 14397.9519 243.6140 -203321.6900 2721.1984 0.0000 0.0000 52267.8556 -109172.8817 300.3841 -161440.7373 -108812.1532 299.9802 12.4205 42.1628 763493.5283 15.9836 15.9876 PRESSURE: 2949200 -146.053 -101.519 -67.2216 -101.519 -159.834 120.424 -67.2213 120.424 -200.652 GPRESSURE: 2949200 -165.055 -131.045 62.1773 -115.437 -29.9518 42.0694 -9.46386 144.209 -229.676 PRESSAVG: 2949200 -76.4266 45.9747 22.6754 45.9747 69.5282 38.6331 22.6753 38.633 -2.17306 GPRESSAVG: 2949200 -77.1749 47.5012 26.0502 44.2375 69.8667 40.6681 23.3621 39.7885 -1.33118 TIMING: 2949200 CPU: 9313.81, 0.00315074/step Wall: 9313.81, 0.00315074/step, 1.79487 hours remaining, 235.925781 MB of memory in use. ENERGY: 2949200 4004.6413 20547.4601 14463.2143 235.4231 -203169.5880 2550.9315 0.0000 0.0000 51968.2513 -109399.6665 298.6623 -161367.9177 -109039.8017 299.0779 -168.8460 -141.5611 764043.7616 -3.0238 -2.8798 PRESSURE: 2949400 -149.909 -1.48253 -47.5564 -1.48287 -219.495 225.666 -47.557 225.666 247.86 GPRESSURE: 2949400 -63.9842 -21.2101 -83.5807 100.327 -182.586 166.803 148.12 191.013 208.428 PRESSAVG: 2949400 -53.6718 2.34715 18.9149 2.34717 66.0159 31.829 18.915 31.829 0.846206 GPRESSAVG: 2949400 -51.9414 0.763258 15.1546 3.18739 64.319 31.5244 21.1861 31.2778 1.16841 TIMING: 2949400 CPU: 9314.43, 0.00314735/step Wall: 9314.43, 0.00314735/step, 1.79277 hours remaining, 235.925781 MB of memory in use. ENERGY: 2949400 4050.4889 20410.6600 14469.4996 247.4488 -203231.9665 2614.9710 0.0000 0.0000 51977.0572 -109461.8411 298.7129 -161438.8983 -109109.1734 299.0087 -40.5145 -12.7141 763247.4190 4.3968 4.5153 PRESSURE: 2949600 48.0732 98.756 41.0569 98.7557 268.486 -96.8862 41.0574 -96.8854 -139.594 GPRESSURE: 2949600 73.0666 20.2034 -52.7131 12.0073 276.978 -70.2992 203.528 -123.931 -74.8218 PRESSAVG: 2949600 -23.9108 28.2906 8.35095 28.2906 -11.2251 2.56356 8.35093 2.56346 6.72292 GPRESSAVG: 2949600 -23.106 28.6157 8.2381 27.1924 -11.3809 3.57572 7.88426 2.24694 6.39093 TIMING: 2949600 CPU: 9315.06, 0.00313878/step Wall: 9315.06, 0.00313878/step, 1.78771 hours remaining, 235.925781 MB of memory in use. ENERGY: 2949600 4004.9407 20413.2742 14356.3507 251.8965 -203464.9690 2758.6238 0.0000 0.0000 52164.0752 -109515.8080 299.7877 -161679.8832 -109139.4464 298.8631 58.9886 91.7409 762205.8005 -9.4710 -9.3653 PRESSURE: 2949800 85.1295 -133.729 98.3193 -133.729 102.252 110.61 98.3188 110.609 18.7727 GPRESSURE: 2949800 54.9447 -94.6588 124.965 -141.751 244.756 61.8757 59.9053 69.0654 -18.8914 PRESSAVG: 2949800 -1.51832 5.59173 63.3881 5.59176 23.5608 12.0324 63.388 12.0324 7.02415 GPRESSAVG: 2949800 -2.75409 6.01073 64.764 6.84833 24.8974 10.2585 63.2826 13.144 7.00287 TIMING: 2949800 CPU: 9315.69, 0.00314451/step Wall: 9315.69, 0.00314451/step, 1.7908 hours remaining, 235.925781 MB of memory in use. ENERGY: 2949800 3959.4063 20360.9112 14455.5922 234.8239 -203691.8661 2877.7126 0.0000 0.0000 52033.7085 -109769.7114 299.0384 -161803.4200 -109411.2710 298.5280 68.7182 93.6030 762380.9533 9.6889 9.7154 PRESSURE: 2950000 105.382 -226.776 233.422 -226.775 120.344 -154.74 233.422 -154.74 -89.609 GPRESSURE: 2950000 88.7182 -289.898 175.7 -155.063 144.031 -159.846 190.587 -136.646 -6.89121 PRESSAVG: 2950000 -37.2026 -22.5691 -6.63578 -22.5691 25.1266 -11.5787 -6.63584 -11.5787 -3.73068 GPRESSAVG: 2950000 -37.8503 -21.7393 -6.41867 -23.2771 25.3735 -10.9785 -7.50575 -13.0507 -3.79084 TIMING: 2950000 CPU: 9316.32, 0.00313408/step Wall: 9316.32, 0.00313408/step, 1.78468 hours remaining, 235.925781 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: 2950000 4001.2677 20500.3866 14426.1430 238.0971 -203394.3960 2831.8383 0.0000 0.0000 51918.6853 -109477.9780 298.3774 -161396.6633 -109118.3147 298.7563 45.3724 75.2860 763146.2313 -5.2689 -5.4225 PRESSURE: 2950200 -324.138 -12.8772 42.6381 -12.8775 97.0273 103.781 42.638 103.781 92.7408 GPRESSURE: 2950200 -237.771 67.9705 106.339 24.4192 134.426 110.69 100.14 126.791 69.9802 PRESSAVG: 2950200 -2.02244 -14.0105 -6.24123 -14.0104 -10.0308 52.4447 -6.24126 52.4446 7.79274 GPRESSAVG: 2950200 -0.217557 -14.2778 -6.68582 -14.0706 -10.5776 52.3207 -5.38996 53.6455 6.76521 TIMING: 2950200 CPU: 9316.95, 0.00315246/step Wall: 9316.95, 0.00315246/step, 1.79498 hours remaining, 235.925781 MB of memory in use. ENERGY: 2950200 4020.2134 20468.9162 14429.3749 243.3797 -203275.9109 2646.0380 0.0000 0.0000 52227.8453 -109240.1434 300.1541 -161467.9887 -108880.0166 298.8421 -44.7901 -11.1216 763943.6474 -1.4202 -1.3433 PRESSURE: 2950400 17.6147 -92.9771 57.5004 -92.9773 -51.8213 -0.482608 57.5008 -0.482727 441.578 GPRESSURE: 2950400 37.8682 -19.3844 55.4819 -46.1043 -4.03621 -30.7789 138.923 -103 456.068 PRESSAVG: 2950400 -32.5248 -18.5942 46.9651 -18.5943 -9.018 14.9385 46.9651 14.9385 6.5792 GPRESSAVG: 2950400 -33.2903 -19.597 47.8272 -17.2189 -8.71859 16.8605 47.2755 13.8446 7.23967 TIMING: 2950400 CPU: 9317.58, 0.00314389/step Wall: 9317.58, 0.00314389/step, 1.78992 hours remaining, 235.925781 MB of memory in use. ENERGY: 2950400 3956.7667 20307.6370 14446.0066 244.6725 -202965.5152 2582.2870 0.0000 0.0000 52113.3723 -109314.7730 299.4963 -161428.1453 -108947.1227 299.2307 135.7904 163.3001 763767.8210 -11.6545 -11.5897 PRESSURE: 2950600 395.124 30.7825 142.258 30.7828 -7.95852 -5.34075 142.258 -5.33973 -53.6295 GPRESSURE: 2950600 439.603 10.7423 79.4383 -44.0756 28.0105 6.1203 119.205 13.814 -61.2012 PRESSAVG: 2950600 -13.5459 -13.6559 32.2555 -13.6559 7.87954 3.44671 32.2554 3.4467 -12.5802 GPRESSAVG: 2950600 -13.4418 -13.4814 30.7377 -15.0975 7.17692 3.10184 31.2564 3.98381 -11.784 TIMING: 2950600 CPU: 9318.2, 0.00313302/step Wall: 9318.2, 0.00313302/step, 1.78356 hours remaining, 235.925781 MB of memory in use. ENERGY: 2950600 3984.7512 20630.2661 14362.6728 240.1734 -203448.5245 2820.8846 0.0000 0.0000 51919.8764 -109489.8999 298.3842 -161409.7763 -109121.4935 298.7625 111.1787 135.4709 760790.0368 -6.0822 -6.0163 PRESSURE: 2950800 144.234 -98.1367 200.655 -98.1354 249.924 44.0557 200.655 44.0561 4.07167 GPRESSURE: 2950800 15.7333 -150.871 188.582 19.8355 364.637 66.0544 178.61 86.4115 99.8932 PRESSAVG: 2950800 62.8303 32.3893 12.1324 32.3894 -37.86 3.03741 12.1324 3.03744 -12.1826 GPRESSAVG: 2950800 61.8682 32.1577 14.1665 34.6848 -36.3684 1.87146 10.5904 3.00574 -12.0863 TIMING: 2950800 CPU: 9318.83, 0.00314917/step Wall: 9318.83, 0.00314917/step, 1.79258 hours remaining, 235.925781 MB of memory in use. ENERGY: 2950800 3966.2187 20516.5143 14460.6143 246.8315 -203797.2740 3128.2718 0.0000 0.0000 52015.9261 -109462.8973 298.9362 -161478.8233 -109103.5233 298.8197 132.7433 160.0878 760976.8005 4.2625 4.4712 PRESSURE: 2951000 -215.259 -180.897 108.964 -180.896 -21.8886 -150.424 108.965 -150.424 -193.669 GPRESSURE: 2951000 -142.468 -102.042 63.7616 -197.77 30.0018 -42.2921 211.068 -201.775 -237.496 PRESSAVG: 2951000 7.32597 17.5173 36.81 17.5173 -3.60058 42.3232 36.8101 42.3232 -3.64301 GPRESSAVG: 2951000 8.55608 18.3406 35.4734 15.2103 -4.55498 43.2217 40.9879 40.9526 -3.96465 TIMING: 2951000 CPU: 9319.46, 0.00314877/step Wall: 9319.46, 0.00314877/step, 1.79217 hours remaining, 235.925781 MB of memory in use. ENERGY: 2951000 3930.8205 20486.3265 14441.1508 241.2990 -202840.7602 2436.4795 0.0000 0.0000 52054.9084 -109249.7755 299.1603 -161304.6839 -108880.0556 299.2052 -143.6058 -116.6542 763437.1290 0.0275 0.0121 PRESSURE: 2951200 264.321 38.6432 -108.23 38.6438 192.941 1.97088 -108.229 1.97074 8.38306 GPRESSURE: 2951200 250.373 69.0691 -230.903 -21.6864 157.417 178.266 -57.3091 -87.3267 128.725 PRESSAVG: 2951200 24.6717 -1.9234 56.7841 -1.92351 -33.1718 21.6209 56.784 21.6209 14.3964 GPRESSAVG: 2951200 24.2687 -2.00216 56.8949 -1.59969 -32.4675 19.3691 56.05 25.6544 14.3719 TIMING: 2951200 CPU: 9320.09, 0.00313793/step Wall: 9320.09, 0.00313793/step, 1.78583 hours remaining, 235.925781 MB of memory in use. ENERGY: 2951200 3953.4729 20484.6746 14488.8603 231.1945 -203237.9922 2666.6694 0.0000 0.0000 52225.6759 -109187.4446 300.1417 -161413.1204 -108815.1360 299.4268 155.2150 178.8385 761499.8027 1.9654 2.0577 PRESSURE: 2951400 -175.864 -102.878 105.596 -102.878 -52.2471 34.4224 105.596 34.4214 310.685 GPRESSURE: 2951400 -126.738 -70.3542 171.83 -77.8298 -6.37456 16.7207 3.80389 -106.963 316.473 PRESSAVG: 2951400 -20.2918 -12.2087 26.3203 -12.2086 7.6282 12.4006 26.3202 12.4006 9.59568 GPRESSAVG: 2951400 -20.8938 -11.7131 25.5619 -13.0625 8.18281 15.2066 26.0758 9.93553 9.57258 TIMING: 2951400 CPU: 9320.72, 0.00313783/step Wall: 9320.72, 0.00313783/step, 1.7856 hours remaining, 235.925781 MB of memory in use. ENERGY: 2951400 3890.9427 20443.1210 14490.4173 263.9661 -202987.8137 2523.1406 0.0000 0.0000 52220.9818 -109155.2443 300.1147 -161376.2260 -108790.1350 299.0685 27.5245 61.1202 761082.2786 -1.0226 -1.0461 PRESSURE: 2951600 -123.72 97.0667 58.2423 97.065 401.837 -259.441 58.2418 -259.441 279.92 GPRESSURE: 2951600 -47.6747 -13.3123 14.8984 -24.596 378.49 -248.862 -88.241 -250.251 341.427 PRESSAVG: 2951600 -5.92636 24.9489 26.4965 24.9489 4.19933 14.3101 26.4965 14.3101 -5.97192 GPRESSAVG: 2951600 -5.26815 24.2071 26.1853 26.286 3.06332 14.5361 24.4044 14.3929 -5.75645 TIMING: 2951600 CPU: 9321.34, 0.00312076/step Wall: 9321.34, 0.00312076/step, 1.77571 hours remaining, 235.925781 MB of memory in use. ENERGY: 2951600 3936.4696 20649.1022 14470.3558 239.1061 -203109.2575 2639.5277 0.0000 0.0000 52005.6915 -109169.0049 298.8774 -161174.6963 -108814.7242 299.1947 186.0124 224.0806 760337.3976 -2.5663 -2.6538 PRESSURE: 2951800 25.6027 -52.5366 -117.648 -52.5367 262.329 -59.8178 -117.648 -59.8174 90.0983 GPRESSURE: 2951800 37.0978 -72.7593 -80.258 -12.972 275.384 2.31569 -57.5743 52.2205 140.94 PRESSAVG: 2951800 -11.4533 -17.2635 26.9533 -17.2633 23.0335 -0.283945 26.9533 -0.283918 27.5083 GPRESSAVG: 2951800 -12.0868 -17.294 28.6725 -17.3027 23.4344 -2.2186 27.618 -0.74839 27.3807 TIMING: 2951800 CPU: 9321.98, 0.00316199/step Wall: 9321.98, 0.00316199/step, 1.799 hours remaining, 235.925781 MB of memory in use. ENERGY: 2951800 3920.7386 20817.4030 14393.7818 225.7975 -203155.6082 2681.4147 0.0000 0.0000 51911.8931 -109204.5795 298.3384 -161116.4726 -108845.6260 299.3522 126.0101 151.1404 760676.2591 13.0295 12.9094 PRESSURE: 2952000 -107.668 114.759 96.6334 114.759 -369.069 57.7765 96.6318 57.7776 53.9318 GPRESSURE: 2952000 -52.1038 96.5256 104.837 45.5871 -359.512 181.379 -39.6847 115.164 54.9719 PRESSAVG: 2952000 -28.7086 21.9422 -44.1169 21.9422 40.0226 -15.6057 -44.1169 -15.6057 6.17963 GPRESSAVG: 2952000 -27.1954 21.1933 -44.4757 20.724 39.1124 -14.639 -41.9231 -12.9224 5.16482 TIMING: 2952000 CPU: 9322.61, 0.00316202/step Wall: 9322.61, 0.00316202/step, 1.79884 hours remaining, 235.925781 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: 2952000 3953.7625 20426.0701 14530.4331 242.8223 -203075.3203 2527.7547 0.0000 0.0000 52234.4484 -109160.0292 300.1921 -161394.4776 -108798.6670 299.7803 -140.9351 -118.8814 763005.7170 5.8312 5.6939 PRESSURE: 2952200 -3.74953 57.5393 94.4502 57.5383 -30.323 27.3966 94.4505 27.3967 44.8924 GPRESSURE: 2952200 78.7025 21.5836 77.0279 75.3944 -13.6595 41.0041 48.0602 -94.5001 23.5713 PRESSAVG: 2952200 -56.9575 12.6581 -24.1754 12.6581 61.354 19.2326 -24.1753 19.2326 -15.07 GPRESSAVG: 2952200 -58.0791 15.4627 -24.5618 13.1517 62.2793 18.9795 -25.9797 18.0845 -14.3806 TIMING: 2952200 CPU: 9323.24, 0.00315238/step Wall: 9323.24, 0.00315238/step, 1.79318 hours remaining, 235.925781 MB of memory in use. ENERGY: 2952200 3955.2013 20503.9250 14500.0670 236.7179 -203450.7480 2750.9429 0.0000 0.0000 52268.7885 -109235.1055 300.3894 -161503.8940 -108869.4242 299.4873 3.6066 29.5381 762160.9364 -3.5578 -3.3935 LDB: ============= START OF LOAD BALANCING ============== 9335.77 LDB: ============== END OF LOAD BALANCING =============== 9335.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9335.77 LDB: ============= START OF LOAD BALANCING ============== 9336.09 LDB: Largest compute 7075 load 0.032684 is 16.7% of average load 0.195494 LDB: Average compute 0.004380 is 2.2% of average load 0.195494 LDB: TIME 9336.09 LOAD: AVG 0.195494 MAX 0.215839 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 9336.09 LOAD: AVG 0.195494 MAX 0.215839 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: TIME 9336.09 LOAD: AVG 0.195494 MAX 0.215839 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: ============== END OF LOAD BALANCING =============== 9336.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9336.1 PRESSURE: 2952400 -13.4358 -69.2997 -43.0132 -69.3007 210.042 -91.1828 -43.0138 -91.182 115.768 GPRESSURE: 2952400 66.0442 -35.5126 -94.7502 -14.5748 153.908 -85.7662 -110.238 -40.4023 161.456 PRESSAVG: 2952400 -37.555 38.276 -48.5222 38.276 39.5457 11.1124 -48.5222 11.1123 14.1619 GPRESSAVG: 2952400 -37.5682 37.0836 -47.4788 39.5286 39.3807 11.0164 -47.8755 8.73245 14.3452 TIMING: 2952400 CPU: 9323.88, 0.00322087/step Wall: 9323.88, 0.00322087/step, 1.83196 hours remaining, 234.679688 MB of memory in use. ENERGY: 2952400 3973.9333 20545.8796 14382.6333 245.7729 -203400.7939 2744.9387 0.0000 0.0000 52356.9859 -109150.6501 300.8963 -161507.6360 -108782.0751 299.8021 104.1246 127.1362 763262.1935 5.3842 5.3859 PRESSURE: 2952600 -276.184 230.328 -104.297 230.328 4.64114 137.786 -104.297 137.786 -102.425 GPRESSURE: 2952600 -197.782 76.2913 -100.846 201.046 86.1214 54.5861 -35.6352 139.591 -176.288 PRESSAVG: 2952600 -4.38 17.2225 8.31141 17.2225 -33.3083 -28.2271 8.31141 -28.2271 -13.0933 GPRESSAVG: 2952600 -4.50344 16.1883 8.65446 17.0044 -33.1204 -27.7988 7.9664 -26.355 -12.7227 TIMING: 2952600 CPU: 9324.51, 0.00313695/step Wall: 9324.51, 0.00313695/step, 1.78405 hours remaining, 234.882812 MB of memory in use. ENERGY: 2952600 3920.0828 20545.8846 14426.1947 257.7106 -202882.7640 2308.7088 0.0000 0.0000 52238.0465 -109186.1359 300.2128 -161424.1824 -108812.6141 300.5135 -124.6561 -95.9827 761697.9931 -16.9272 -16.7822 PRESSURE: 2952800 6.89751 -45.4416 -30.1405 -45.4411 -65.8796 -155.065 -30.1412 -155.065 434.66 GPRESSURE: 2952800 92.8539 -110.909 -39.5172 33.9847 -49.0356 -133.586 -56.3674 -60.6008 429.305 PRESSAVG: 2952800 -30.4239 25.418 23.6243 25.418 43.6021 -27.5792 23.6243 -27.5792 4.41703 GPRESSAVG: 2952800 -30.6024 25.8033 22.0324 24.4052 43.4855 -29.6182 24.5469 -25.0725 4.29939 TIMING: 2952800 CPU: 9325.14, 0.00315631/step Wall: 9325.14, 0.00315631/step, 1.79489 hours remaining, 234.882812 MB of memory in use. ENERGY: 2952800 4014.8382 20371.3952 14489.5904 246.4744 -203269.1514 2717.2006 0.0000 0.0000 52206.3547 -109223.2979 300.0306 -161429.6526 -108864.5952 299.9748 125.2260 157.7077 763242.2948 5.8651 5.7275 PRESSURE: 2953000 44.9604 182.935 -208.705 182.936 -35.4926 174.153 -208.705 174.153 47.2779 GPRESSURE: 2953000 -33.3864 24.1744 -296.516 186.562 69.5309 100.203 -100.482 189.422 97.0962 PRESSAVG: 2953000 -9.39054 -4.4497 -17.4639 -4.44969 31.1235 -7.28048 -17.4639 -7.28045 24.2601 GPRESSAVG: 2953000 -8.58335 -1.99049 -16.0049 -3.62438 30.9343 -5.40026 -18.0869 -9.8908 23.0216 TIMING: 2953000 CPU: 9325.78, 0.00316959/step Wall: 9325.78, 0.00316959/step, 1.80226 hours remaining, 234.882812 MB of memory in use. ENERGY: 2953000 4007.3508 20588.8453 14414.9901 256.6658 -203436.4465 2754.6279 0.0000 0.0000 52144.7648 -109269.2018 299.6767 -161413.9666 -108900.7643 299.5336 18.9152 44.4135 762338.4357 15.3310 15.1242 PRESSURE: 2953200 346.602 97.5085 70.6306 97.508 153.954 -1.9375 70.6306 -1.93787 19.5589 GPRESSURE: 2953200 451.425 18.6615 130.66 155.824 139.578 -1.32023 95.1194 88.8322 28.8409 PRESSAVG: 2953200 -13.1951 52.9918 -32.728 52.9919 71.5771 -18.8785 -32.728 -18.8785 9.42808 GPRESSAVG: 2953200 -13.6828 48.3407 -33.1291 53.1896 72.0722 -18.4794 -31.7561 -18.6136 9.92179 TIMING: 2953200 CPU: 9326.41, 0.00317738/step Wall: 9326.41, 0.00317738/step, 1.80651 hours remaining, 234.882812 MB of memory in use. ENERGY: 2953200 3933.2477 20517.8841 14406.5273 267.3389 -202760.3908 2308.7264 0.0000 0.0000 51931.3945 -109395.2720 298.4504 -161326.6665 -109032.5962 299.1772 173.3716 206.6147 760151.9376 22.6034 22.7704 PRESSURE: 2953400 172.861 -57.4718 -40.9066 -57.4718 87.1445 189.109 -40.9058 189.11 59.0626 GPRESSURE: 2953400 193.876 -46.2917 -61.4692 -37.1084 42.475 214.577 108.503 180.944 164.258 PRESSAVG: 2953400 9.42348 15.7416 -31.7826 15.7416 -27.9285 -38.475 -31.7826 -38.4749 8.67647 GPRESSAVG: 2953400 10.7451 16.5925 -32.1232 16.6311 -29.2333 -38.2369 -33.3019 -40.0918 8.76942 TIMING: 2953400 CPU: 9327.05, 0.00318147/step Wall: 9327.05, 0.00318147/step, 1.80866 hours remaining, 234.882812 MB of memory in use. ENERGY: 2953400 3902.7527 20629.8482 14386.4714 249.1433 -203158.8958 2641.4380 0.0000 0.0000 51993.9757 -109355.2666 298.8101 -161349.2423 -108993.0471 299.1348 106.3560 133.5363 762886.0154 -3.2762 -3.2396 PRESSURE: 2953600 -41.3613 66.1511 -152.652 66.151 213.052 9.11619 -152.651 9.11585 586.15 GPRESSURE: 2953600 78.2609 61.2007 -182.815 7.31846 206.146 57.5831 -149.877 21.1787 548.773 PRESSAVG: 2953600 20.6215 75.3369 -33.1512 75.3368 -18.3851 -20.5353 -33.1513 -20.5353 -17.0676 GPRESSAVG: 2953600 20.1302 77.6059 -34.2432 73.854 -17.9363 -19.5581 -32.9111 -20.8404 -17.3653 TIMING: 2953600 CPU: 9327.68, 0.00316647/step Wall: 9327.68, 0.00316647/step, 1.79996 hours remaining, 234.882812 MB of memory in use. ENERGY: 2953600 3903.7614 20415.4451 14408.0028 237.6656 -203094.6591 2749.4160 0.0000 0.0000 52260.0155 -109120.3527 300.3390 -161380.3682 -108760.6628 300.0387 252.6134 277.7266 760502.9914 -4.9438 -5.0572 PRESSURE: 2953800 -395.742 74.8549 15.1949 74.8557 -170.323 84.1578 15.1948 84.158 -618.545 GPRESSURE: 2953800 -325.854 94.2094 112.252 -23.3433 -145.678 -16.5839 62.1934 120.811 -621.671 PRESSAVG: 2953800 -43.6662 -4.27185 -22.3551 -4.27193 36.5904 32.7169 -22.3551 32.7169 -20.8957 GPRESSAVG: 2953800 -43.9574 -4.73904 -20.5295 -3.40626 36.824 32.4854 -23.0771 34.3843 -20.9724 TIMING: 2953800 CPU: 9328.31, 0.00314883/step Wall: 9328.31, 0.00314883/step, 1.78976 hours remaining, 234.882812 MB of memory in use. ENERGY: 2953800 3950.6950 20437.4209 14466.2778 229.8730 -202848.6043 2313.9958 0.0000 0.0000 52112.3065 -109338.0353 299.4901 -161450.3418 -108981.4818 299.4097 -394.8699 -364.4009 759748.9282 -9.3238 -9.3686 PRESSURE: 2954000 -56.7022 311.018 36.4685 311.019 51.4957 -56.9333 36.4688 -56.9335 12.8453 GPRESSURE: 2954000 -134.522 225.276 -50.3898 97.5677 120.407 -70.1184 81.2317 -21.4954 116.441 PRESSAVG: 2954000 -1.17839 28.1724 27.4952 28.1725 34.0105 -30.6496 27.4953 -30.6497 11.9916 GPRESSAVG: 2954000 -1.72755 28.6666 27.0175 24.3854 34.3127 -31.1052 28.6789 -32.0248 12.6643 TIMING: 2954000 CPU: 9328.94, 0.00313859/step Wall: 9328.94, 0.00313859/step, 1.78377 hours remaining, 234.882812 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: 2954000 3901.7411 20426.8911 14402.3451 231.5444 -203085.5639 2566.3036 0.0000 0.0000 52348.4518 -109208.2867 300.8473 -161556.7385 -108841.0231 299.3836 2.5463 34.1083 759024.3386 14.9412 15.0832 PRESSURE: 2954200 -15.7028 249.76 -179.795 249.76 -164.31 -3.75717 -179.795 -3.758 -270.928 GPRESSURE: 2954200 -29.9642 278.716 -231.087 214.485 -158.461 50.9892 -53.7414 -147.365 -172.669 PRESSAVG: 2954200 -33.8888 -0.0132405 25.3253 -0.0133037 -22.316 -18.5128 25.3253 -18.5128 -10.7921 GPRESSAVG: 2954200 -34.2789 -1.3011 26.2716 3.71205 -22.5201 -17.1828 25.691 -17.2596 -10.8165 TIMING: 2954200 CPU: 9329.57, 0.0031578/step Wall: 9329.57, 0.00315781/step, 1.79451 hours remaining, 234.882812 MB of memory in use. ENERGY: 2954200 3978.1245 20623.7610 14418.3266 233.4273 -202770.8313 2467.7875 0.0000 0.0000 52129.1217 -108920.2827 299.5868 -161049.4044 -108568.6552 299.9461 -150.3136 -120.3647 761510.2088 -22.3323 -22.5385 PRESSURE: 2954400 275.581 98.4209 -51.417 98.4206 21.6546 115.38 -51.4163 115.38 273.836 GPRESSURE: 2954400 345.278 63.358 -105.671 78.8307 106.753 146.157 -91.0423 37.3617 196.072 PRESSAVG: 2954400 47.621 0.370256 -9.36296 0.370249 -6.97252 -27.3495 -9.36293 -27.3495 13.8544 GPRESSAVG: 2954400 46.0729 1.95026 -10.5854 -2.25524 -5.82375 -26.7345 -10.2088 -29.4917 14.032 TIMING: 2954400 CPU: 9330.2, 0.00316152/step Wall: 9330.2, 0.00316152/step, 1.79645 hours remaining, 234.882812 MB of memory in use. ENERGY: 2954400 3918.0851 20378.2760 14486.6117 244.7873 -203568.0286 3045.1698 0.0000 0.0000 52520.0243 -108975.0745 301.8333 -161495.0987 -108608.9032 300.3040 190.3571 216.0343 760839.5173 18.1676 18.0937 PRESSURE: 2954600 -37.8223 -36.685 -256.453 -36.6863 156.045 157.02 -256.453 157.02 420.497 GPRESSURE: 2954600 76.0336 -16.4493 -343.76 -67.3412 110.447 44.8173 -102.285 206.143 438.764 PRESSAVG: 2954600 -1.6991 -30.6298 10.5228 -30.6298 17.9854 21.9756 10.5228 21.9756 -14.2584 GPRESSAVG: 2954600 0.24904 -32.3754 10.8375 -28.3405 17.0793 19.3837 10.3814 25.294 -15.791 TIMING: 2954600 CPU: 9330.84, 0.0031697/step Wall: 9330.84, 0.0031697/step, 1.80092 hours remaining, 234.882812 MB of memory in use. ENERGY: 2954600 4027.5187 20582.8200 14500.4908 248.6749 -203065.8959 2511.9475 0.0000 0.0000 52205.7660 -108988.6780 300.0273 -161194.4440 -108619.1462 300.0972 179.5732 208.4149 760831.0735 0.6760 0.5124 PRESSURE: 2954800 -35.0597 5.89284 216.76 5.89323 -125.139 -52.6997 216.761 -52.6991 -188.976 GPRESSURE: 2954800 -35.4312 -77.0698 182.289 -135.624 -99.1208 -22.5365 76.8758 -4.80648 -108.326 PRESSAVG: 2954800 -29.4661 2.48408 -83.4364 2.48408 28.7523 12.544 -83.4363 12.544 16.9582 GPRESSAVG: 2954800 -29.3798 3.63764 -83.7043 0.917072 27.8821 13.0534 -83.7972 11.6739 17.0196 TIMING: 2954800 CPU: 9331.47, 0.00317229/step Wall: 9331.47, 0.00317229/step, 1.80221 hours remaining, 234.882812 MB of memory in use. ENERGY: 2954800 4032.8540 20424.6396 14491.4512 224.1868 -203237.0320 2640.8905 0.0000 0.0000 52292.6194 -109130.3906 300.5264 -161423.0100 -108764.4136 300.8467 -116.3916 -80.9593 762235.9623 5.4148 5.1740 PRESSURE: 2955000 -523.303 -59.0592 179.524 -59.0582 -56.7732 248.525 179.525 248.525 169.042 GPRESSURE: 2955000 -424.207 -92.3566 226.455 -54.9588 -78.4061 322.067 173.997 183.889 171.69 PRESSAVG: 2955000 -9.33521 -37.6453 15.6723 -37.6453 32.1284 -13.8593 15.6722 -13.8593 5.69361 GPRESSAVG: 2955000 -9.38539 -37.1962 16.9127 -36.688 32.0718 -15.1629 15.7839 -13.3153 5.52188 TIMING: 2955000 CPU: 9332.1, 0.00315377/step Wall: 9332.1, 0.00315377/step, 1.79151 hours remaining, 234.882812 MB of memory in use. ENERGY: 2955000 3916.3090 20525.2683 14519.0221 249.6069 -202847.7135 2392.8725 0.0000 0.0000 52094.0768 -109150.5579 299.3854 -161244.6347 -108786.1128 300.1862 -137.0114 -110.3077 762844.0989 9.4956 9.4027 PRESSURE: 2955200 329.048 -47.9418 100.716 -47.941 5.35659 -234.176 100.715 -234.176 17.6895 GPRESSURE: 2955200 259.486 -44.8489 71.6005 19.2197 102.247 -174.255 175.878 -120.967 50.7721 PRESSAVG: 2955200 15.2781 -10.2966 -13.2377 -10.2966 11.9663 -60.0602 -13.2377 -60.0602 6.94317 GPRESSAVG: 2955200 14.4788 -11.583 -14.2146 -10.3656 12.2079 -59.431 -10.4298 -59.684 7.5814 TIMING: 2955200 CPU: 9332.74, 0.00317514/step Wall: 9332.74, 0.00317514/step, 1.80348 hours remaining, 234.882812 MB of memory in use. ENERGY: 2955200 4049.7776 20522.1785 14504.0694 273.8289 -203303.9590 2676.7404 0.0000 0.0000 52115.0404 -109162.3238 299.5059 -161277.3642 -108799.3960 300.2344 117.3648 137.5015 760475.2738 11.3959 11.4227 PRESSURE: 2955400 -53.8884 71.0914 -106.841 71.0915 -60.6386 220.604 -106.841 220.605 38.5242 GPRESSURE: 2955400 -44.2822 138.014 -120.573 100.057 -47.4263 210.229 -239.491 85.1747 83.2349 PRESSAVG: 2955400 -37.5843 67.0639 -28.4906 67.0639 0.7039 -51.1282 -28.4905 -51.1282 39.3607 GPRESSAVG: 2955400 -36.8824 69.4755 -28.362 65.5942 -0.0457616 -51.411 -30.7199 -50.314 39.5725 TIMING: 2955400 CPU: 9333.37, 0.00315705/step Wall: 9333.37, 0.00315705/step, 1.79303 hours remaining, 234.882812 MB of memory in use. ENERGY: 2955400 3944.4468 20516.5679 14453.9838 246.0082 -203181.3223 2597.0288 0.0000 0.0000 52082.3658 -109340.9210 299.3181 -161423.2868 -108979.5825 299.9217 -25.3343 -2.8245 761745.5320 0.8268 0.8814 PRESSURE: 2955600 269.657 -120.749 96.9797 -120.749 154.372 -64.6487 96.9805 -64.6494 425.54 GPRESSURE: 2955600 394.452 -87.5485 68.7669 -67.439 208.042 -61.836 73.6057 -29.5109 345.109 PRESSAVG: 2955600 -25.155 9.00548 5.16325 9.0055 10.1177 -28.3951 5.16329 -28.3951 -10.7279 GPRESSAVG: 2955600 -24.1141 6.98416 5.81964 10.0537 9.46135 -27.7123 4.48274 -28.6215 -11.6531 TIMING: 2955600 CPU: 9333.99, 0.00313486/step Wall: 9333.99, 0.00313486/step, 1.78025 hours remaining, 234.882812 MB of memory in use. ENERGY: 2955600 3952.4658 20297.5857 14440.9648 235.9346 -203251.3905 2762.6539 0.0000 0.0000 52227.7882 -109333.9976 300.1538 -161561.7858 -108973.9095 299.3405 283.1895 315.8675 760641.2293 -8.5884 -8.7686 PRESSURE: 2955800 -367.345 87.7791 -10.6986 87.7789 0.401811 -222.072 -10.6995 -222.071 167.696 GPRESSURE: 2955800 -260.432 -13.449 -60.6653 -10.3878 18.5476 -216.506 73.6122 -153.252 137.275 PRESSAVG: 2955800 -75.4061 32.3365 -12.8789 32.3365 67.914 -37.2726 -12.8788 -37.2726 -32.9409 GPRESSAVG: 2955800 -75.459 32.7188 -13.9044 32.7286 67.8225 -37.1739 -9.26269 -38.6799 -32.3728 TIMING: 2955800 CPU: 9334.62, 0.00314713/step Wall: 9334.62, 0.00314713/step, 1.78705 hours remaining, 234.882812 MB of memory in use. ENERGY: 2955800 3954.0840 20690.9012 14464.7327 207.8292 -202557.2775 2110.1661 0.0000 0.0000 51930.5143 -109199.0499 298.4454 -161129.5642 -108837.1489 299.4859 -66.4160 -34.8701 762340.2771 -13.4777 -13.3364 PRESSURE: 2956000 247.468 -97.8967 378.853 -97.8967 92.1967 48.8619 378.855 48.8617 -152.617 GPRESSURE: 2956000 159.513 -55.8919 371.379 2.47762 204.091 -0.158158 216.321 117.855 -97.4915 PRESSAVG: 2956000 -11.8151 22.4382 7.87721 22.4382 12.9677 -3.57453 7.87722 -3.57453 -2.12589 GPRESSAVG: 2956000 -13.7776 23.5306 7.99445 21.6284 14.6842 -2.54685 2.57462 -2.77117 -1.94395 TIMING: 2956000 CPU: 9335.26, 0.00316765/step Wall: 9335.26, 0.00316765/step, 1.79852 hours remaining, 234.882812 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: 2956000 3992.4594 20545.2809 14449.4040 260.3050 -203321.3166 2684.8575 0.0000 0.0000 52145.1200 -109243.8899 299.6787 -161389.0099 -108879.8930 299.7378 62.3492 88.7042 761487.2776 -0.3244 -0.3458 PRESSURE: 2956200 -197.016 149.537 133.67 149.537 -257.587 14.989 133.669 14.9896 -122.6 GPRESSURE: 2956200 -35.7076 136.657 118.448 182.112 -320.171 -48.563 139.976 34.237 -143.976 PRESSAVG: 2956200 23.124 57.2802 -31.9666 57.2801 -24.1929 -7.67722 -31.9666 -7.67721 -17.0723 GPRESSAVG: 2956200 25.4875 56.4018 -30.6363 56.4527 -26.1004 -9.18693 -31.4509 -7.57886 -17.3091 TIMING: 2956200 CPU: 9335.89, 0.00315845/step Wall: 9335.89, 0.00315845/step, 1.79312 hours remaining, 234.882812 MB of memory in use. ENERGY: 2956200 4003.0095 20506.7220 14467.6464 248.9786 -203122.3017 2384.1491 0.0000 0.0000 52161.4477 -109350.3485 299.7726 -161511.7961 -108991.0350 299.7642 -192.4007 -166.6179 762017.9396 -6.0470 -5.9740 LDB: ============= START OF LOAD BALANCING ============== 9348.43 LDB: ============== END OF LOAD BALANCING =============== 9348.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9348.43 LDB: ============= START OF LOAD BALANCING ============== 9348.75 LDB: Largest compute 7048 load 0.031978 is 16.4% of average load 0.195467 LDB: Average compute 0.004390 is 2.2% of average load 0.195467 LDB: TIME 9348.75 LOAD: AVG 0.195467 MAX 0.216168 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 9348.75 LOAD: AVG 0.195467 MAX 0.216168 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 9348.75 LOAD: AVG 0.195467 MAX 0.216168 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 9348.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9348.76 PRESSURE: 2956400 -185.653 -20.7288 189.517 -20.7291 -371.077 -187.407 189.517 -187.409 -332.764 GPRESSURE: 2956400 -247.767 12.916 159.482 -100.779 -238.055 -195.423 235.657 -142.976 -308.565 PRESSAVG: 2956400 -3.8858 -14.0446 -29.624 -14.0447 13.2526 -48.9236 -29.6241 -48.9236 -5.23956 GPRESSAVG: 2956400 -4.54429 -13.0764 -30.4399 -14.5017 14.6123 -48.3077 -27.2267 -46.7908 -5.44186 TIMING: 2956400 CPU: 9336.54, 0.00326049/step Wall: 9336.54, 0.00326049/step, 1.85087 hours remaining, 236.921875 MB of memory in use. ENERGY: 2956400 3990.3084 20561.5482 14466.2467 268.2921 -202846.5054 2283.8725 0.0000 0.0000 51991.5300 -109284.7075 298.7960 -161276.2374 -108936.2326 299.3514 -296.4977 -264.7957 761727.7847 1.3757 1.5420 PRESSURE: 2956600 18.5622 -193.862 43.5822 -193.862 -176.491 -78.2891 43.582 -78.289 -194.473 GPRESSURE: 2956600 66.2512 -72.3712 -35.0074 -31.0159 -148.642 -90.6615 -27.3477 -54.7785 -180.245 PRESSAVG: 2956600 -8.84838 4.38705 -4.09911 4.38704 27.0357 -5.07166 -4.09908 -5.07166 -22.8137 GPRESSAVG: 2956600 -9.34842 4.64683 -5.21994 6.87689 26.6749 -3.74751 -4.75172 -10.4477 -22.3319 TIMING: 2956600 CPU: 9337.17, 0.00316979/step Wall: 9337.17, 0.00316979/step, 1.79921 hours remaining, 237.125000 MB of memory in use. ENERGY: 2956600 3972.3112 20616.4866 14438.6679 232.7090 -203276.2267 2401.9566 0.0000 0.0000 52197.4423 -109416.6530 299.9794 -161614.0954 -109048.3903 299.0531 -117.4672 -87.5450 760831.4411 -1.5421 -1.6685 PRESSURE: 2956800 -274.173 -156.339 -35.4418 -156.338 -179.55 -147.983 -35.4417 -147.984 153.867 GPRESSURE: 2956800 -250.767 -57.4982 -56.4697 -74.8287 -142.571 -42.508 -6.13107 -201.992 186.217 PRESSAVG: 2956800 0.771914 -58.612 -45.5169 -58.612 0.585149 -36.482 -45.5169 -36.4819 16.0846 GPRESSAVG: 2956800 1.71554 -58.3828 -43.7335 -60.5959 0.387587 -35.4083 -45.7008 -34.8883 15.7814 TIMING: 2956800 CPU: 9337.81, 0.00317074/step Wall: 9337.81, 0.00317074/step, 1.79957 hours remaining, 237.125000 MB of memory in use. ENERGY: 2956800 4018.8076 20516.4506 14403.2202 246.2008 -203249.5249 2564.0798 0.0000 0.0000 52177.2098 -109323.5560 299.8631 -161500.7658 -108953.4666 299.5250 -99.9521 -69.0403 761320.0436 5.8139 5.9615 PRESSURE: 2957000 -390.29 7.60297 -54.0486 7.60253 -260.4 -83.1908 -54.0478 -83.1911 -446.611 GPRESSURE: 2957000 -279.84 77.3414 -94.189 -106.923 -264.904 1.50347 -18.186 -189.218 -454.106 PRESSAVG: 2957000 -11.1906 16.8643 67.2658 16.8643 23.6832 -11.744 67.2659 -11.7441 -31.0782 GPRESSAVG: 2957000 -12.1005 15.3811 67.952 16.5942 24.2996 -12.4445 66.2521 -11.0736 -31.1144 TIMING: 2957000 CPU: 9338.45, 0.00318743/step Wall: 9338.45, 0.00318743/step, 1.80886 hours remaining, 237.125000 MB of memory in use. ENERGY: 2957000 4052.0747 20596.2375 14452.1101 222.6115 -203419.3707 2613.8550 0.0000 0.0000 52012.0052 -109470.4767 298.9137 -161482.4819 -109117.0368 299.6422 -365.7671 -332.9500 763061.7123 -6.1952 -6.3051 PRESSURE: 2957200 86.3247 78.5553 -72.9924 78.5551 -74.7886 12.5877 -72.9927 12.5869 23.1834 GPRESSURE: 2957200 118.993 245.389 -105.731 -28.6528 -32.596 70.8702 -68.285 35.4448 27.6039 PRESSAVG: 2957200 6.08561 11.6193 -30.5931 11.6192 24.0007 -22.3575 -30.5931 -22.3576 -1.84262 GPRESSAVG: 2957200 7.54888 13.134 -32.5983 12.0073 23.2865 -21.9273 -30.4499 -23.2512 -2.41457 TIMING: 2957200 CPU: 9339.08, 0.00315928/step Wall: 9339.08, 0.00315928/step, 1.79272 hours remaining, 237.125000 MB of memory in use. ENERGY: 2957200 3986.2349 20519.4074 14426.2971 247.6267 -202914.8956 2629.5478 0.0000 0.0000 51700.0092 -109405.7725 297.1207 -161105.7818 -109052.2926 299.4398 11.5732 38.0003 760439.2024 9.4146 9.4736 PRESSURE: 2957400 120.643 23.838 183.956 23.8375 -5.21071 -40.6831 183.956 -40.6828 -146.096 GPRESSURE: 2957400 48.114 -123.793 264.695 40.3092 79.9287 -55.0242 164.679 -45.2583 -66.2546 PRESSAVG: 2957400 -15.5676 -50.4687 11.6575 -50.4687 33.0858 -27.5225 11.6575 -27.5225 -27.4917 GPRESSAVG: 2957400 -17.6518 -52.3856 12.7524 -50.3923 33.397 -28.3937 10.5318 -26.4804 -25.9919 TIMING: 2957400 CPU: 9339.71, 0.00316105/step Wall: 9339.71, 0.00316105/step, 1.79354 hours remaining, 237.125000 MB of memory in use. ENERGY: 2957400 3974.2102 20294.1917 14456.5743 264.3505 -203058.0432 2426.8850 0.0000 0.0000 52017.0236 -109624.8079 298.9425 -161641.8315 -109262.2834 298.8443 -10.2215 20.5960 760894.6312 -3.3245 -3.4156 PRESSURE: 2957600 256.681 10.0494 51.0614 10.0487 -130.299 -27.7432 51.0601 -27.7439 -112.615 GPRESSURE: 2957600 263.489 -24.0147 23.356 148.362 -36.9126 -97.3785 5.80591 51.5238 -121.747 PRESSAVG: 2957600 -7.44879 -0.569889 7.38126 -0.569774 15.5037 -28.3451 7.38129 -28.345 8.49382 GPRESSAVG: 2957600 -5.84959 -2.19682 8.35959 2.5212 15.4587 -28.8129 8.35864 -29.4099 7.23725 TIMING: 2957600 CPU: 9340.35, 0.00317279/step Wall: 9340.35, 0.00317279/step, 1.80003 hours remaining, 237.125000 MB of memory in use. ENERGY: 2957600 3966.7461 20333.4476 14496.1708 242.8052 -203367.3337 2664.7228 0.0000 0.0000 52050.7862 -109612.6550 299.1366 -161663.4411 -109261.0757 298.7274 4.5891 34.9431 761928.1067 5.5163 5.6155 PRESSURE: 2957800 170.022 35.5203 -210.847 35.5194 251.292 150.805 -210.847 150.805 -16.8376 GPRESSURE: 2957800 262.663 119.16 -242.555 5.14591 218.837 145.124 -153.396 74.875 -13.6987 PRESSAVG: 2957800 -32.6688 10.3932 -15.4372 10.3932 23.7375 -56.6938 -15.4372 -56.6938 2.98143 GPRESSAVG: 2957800 -32.498 14.7014 -16.6567 6.85338 24.4124 -56.8511 -13.8471 -56.4016 2.23117 TIMING: 2957800 CPU: 9340.98, 0.0031673/step Wall: 9340.98, 0.0031673/step, 1.79674 hours remaining, 237.125000 MB of memory in use. ENERGY: 2957800 3945.7464 20584.8250 14470.3809 245.9356 -203326.6806 2611.3843 0.0000 0.0000 52237.7429 -109230.6655 300.2110 -161468.4084 -108866.8324 299.0845 134.8252 155.9340 761659.5931 -1.9833 -1.9515 PRESSURE: 2958000 -83.4723 373.074 -40.8451 373.073 79.3422 47.0739 -40.8446 47.0738 -264.773 GPRESSURE: 2958000 -12.6195 334.252 -66.4239 287.285 75.406 91.5048 -127.151 241.136 -233.938 PRESSAVG: 2958000 -4.35648 16.158 -0.261371 16.158 42.2728 6.885 -0.26136 6.88497 4.92606 GPRESSAVG: 2958000 -5.23434 13.5075 -1.06428 18.0744 42.16 5.93206 -0.635176 6.39583 5.92587 TIMING: 2958000 CPU: 9341.61, 0.0031556/step Wall: 9341.61, 0.0031556/step, 1.78992 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: 2958000 3939.3109 20450.9806 14435.5311 249.1505 -202902.6992 2433.2353 0.0000 0.0000 52147.5934 -109246.8973 299.6929 -161394.4907 -108881.4748 299.6713 -89.6343 -57.0505 763361.1838 14.2808 14.2838 PRESSURE: 2958200 125.667 66.6685 158.519 66.6691 402.832 -9.00896 158.519 -9.00874 154.361 GPRESSURE: 2958200 167.866 106.848 80.8081 64.7071 338.813 -51.7725 157.125 -36.7382 274.141 PRESSAVG: 2958200 -17.4236 39.9071 7.59631 39.9072 47.1064 34.9214 7.59626 34.9213 -6.81825 GPRESSAVG: 2958200 -17.2659 40.4894 8.41533 40.3209 46.4648 36.9973 6.63624 35.1595 -6.24933 TIMING: 2958200 CPU: 9342.24, 0.00315067/step Wall: 9342.24, 0.00315067/step, 1.78695 hours remaining, 237.125000 MB of memory in use. ENERGY: 2958200 4025.6229 20443.0697 14431.5587 241.8817 -203527.6040 2992.3119 0.0000 0.0000 51966.6425 -109426.5166 298.6530 -161393.1591 -109073.2411 298.7485 227.6200 260.2732 761492.8171 7.6215 7.6499 PRESSURE: 2958400 -473.091 107.844 -93.0527 107.844 55.6893 107.096 -93.0531 107.096 -94.2917 GPRESSURE: 2958400 -334.547 166.83 -43.4539 60.1799 5.55511 2.17063 -58.9966 66.148 -95.5171 PRESSAVG: 2958400 -36.8473 14.6939 -27.1135 14.6939 6.48095 -41.3891 -27.1134 -41.3891 43.523 GPRESSAVG: 2958400 -36.7828 14.851 -26.9372 14.2996 7.09333 -40.7081 -25.3747 -41.269 42.2756 TIMING: 2958400 CPU: 9342.88, 0.00318165/step Wall: 9342.88, 0.00318165/step, 1.80435 hours remaining, 237.125000 MB of memory in use. ENERGY: 2958400 3966.4194 20475.9745 14435.1998 269.3500 -203570.0284 2710.2295 0.0000 0.0000 52169.9517 -109542.9034 299.8214 -161712.8551 -109181.1902 299.2197 -170.5646 -141.5029 763240.2220 4.3855 4.1954 PRESSURE: 2958600 53.2608 255.611 138.146 255.612 -20.4056 105.351 138.147 105.35 361.637 GPRESSURE: 2958600 48.5029 323.243 101.858 104.208 5.56978 56.6829 71.7306 141.928 436.752 PRESSAVG: 2958600 32.6169 10.319 -15.561 10.319 -22.4816 -23.5184 -15.5609 -23.5185 12.5075 GPRESSAVG: 2958600 32.2143 11.9505 -15.5113 9.28538 -22.2657 -25.6026 -18.2916 -23.3896 12.9341 TIMING: 2958600 CPU: 9343.51, 0.00318671/step Wall: 9343.51, 0.00318671/step, 1.80704 hours remaining, 237.125000 MB of memory in use. ENERGY: 2958600 3968.7653 20490.9227 14459.4220 227.1487 -203299.8074 2683.4799 0.0000 0.0000 51920.0343 -109550.0344 298.3852 -161470.0688 -109182.2026 299.1919 131.4976 163.6083 761476.8330 7.5476 7.6276 PRESSURE: 2958800 -3.48441 -1.12946 -13.9982 -1.12925 -349.091 102.054 -13.9979 102.053 -50.7493 GPRESSURE: 2958800 -0.599134 -65.6055 12.0775 -52.8195 -295.249 60.3159 -54.1978 189.599 -37.2738 PRESSAVG: 2958800 -18.8793 29.5643 -23.6415 29.5643 34.1175 -44.9244 -23.6415 -44.9245 13.8746 GPRESSAVG: 2958800 -18.4721 28.0056 -22.4726 29.0177 33.8245 -45.1364 -24.9912 -44.1729 14.1153 TIMING: 2958800 CPU: 9344.15, 0.00316366/step Wall: 9344.15, 0.00316366/step, 1.79379 hours remaining, 237.125000 MB of memory in use. ENERGY: 2958800 3916.9401 20603.6568 14436.2741 227.3274 -203077.3824 2452.9656 0.0000 0.0000 51907.2377 -109532.9806 298.3116 -161440.2183 -109179.9157 299.0195 -134.4417 -111.0406 763154.0193 9.7043 9.8226 PRESSURE: 2959000 -61.6554 236.542 -437.465 236.542 -30.718 -124.853 -437.465 -124.852 157.104 GPRESSURE: 2959000 21.8306 202.814 -388.22 216.215 66.1849 -195.017 -395.968 -22.2258 91.2607 PRESSAVG: 2959000 49.7688 4.20153 -44.2696 4.20157 -27.5419 -35.5762 -44.2696 -35.5762 10.6899 GPRESSAVG: 2959000 50.672 4.40581 -46.8006 4.91244 -27.6688 -33.0921 -41.4591 -37.4852 10.3396 TIMING: 2959000 CPU: 9344.78, 0.00318221/step Wall: 9344.78, 0.00318221/step, 1.80414 hours remaining, 237.125000 MB of memory in use. ENERGY: 2959000 3978.1504 20486.9235 14437.1373 234.1711 -203076.0812 2576.4391 0.0000 0.0000 51923.7686 -109439.4913 298.4066 -161363.2598 -109068.8658 298.5356 21.5768 59.7587 761743.0453 10.9723 11.1143 PRESSURE: 2959200 -34.2205 139.557 144.93 139.556 15.5582 -146.705 144.929 -146.705 -109.229 GPRESSURE: 2959200 51.6289 209.806 120.968 28.7462 61.4364 -104.236 260.459 -21.3511 -161.151 PRESSAVG: 2959200 -0.190192 34.0456 -62 34.0456 22.6536 -27.1987 -61.9999 -27.1987 -14.3385 GPRESSAVG: 2959200 -0.825183 32.5192 -60.8072 33.5717 21.8445 -29.1432 -61.8063 -25.0927 -13.4024 TIMING: 2959200 CPU: 9345.42, 0.00317143/step Wall: 9345.42, 0.00317143/step, 1.79785 hours remaining, 237.125000 MB of memory in use. ENERGY: 2959200 3944.6276 20476.6849 14437.0679 243.6229 -203347.8678 2396.6619 0.0000 0.0000 52132.5320 -109716.6704 299.6064 -161849.2024 -109351.7501 299.0812 -42.6303 -16.0284 759812.8806 2.7083 2.5390 PRESSURE: 2959400 223.7 -41.8233 -107.355 -41.8231 240.673 -161.17 -107.355 -161.169 -251.708 GPRESSURE: 2959400 277.59 -70.7722 -74.57 3.88372 258.489 -173.278 28.6539 -98.1749 -235.997 PRESSAVG: 2959400 28.4592 7.59088 -16.8969 7.5909 -9.48835 -40.0245 -16.8969 -40.0244 -4.25278 GPRESSAVG: 2959400 27.5749 8.24369 -17.1722 6.89556 -8.63709 -38.2099 -16.7854 -40.1063 -4.5462 TIMING: 2959400 CPU: 9346.05, 0.00316779/step Wall: 9346.05, 0.00316779/step, 1.79561 hours remaining, 237.125000 MB of memory in use. ENERGY: 2959400 3971.8313 20546.7745 14393.3551 251.8189 -203358.2796 2466.0212 0.0000 0.0000 52037.1151 -109691.3636 299.0580 -161728.4786 -109323.6707 298.4409 70.8885 100.0274 760507.6592 4.9060 4.7972 PRESSURE: 2959600 -182.028 5.27429 91.4656 5.27363 -38.3136 158.294 91.4659 158.293 214.619 GPRESSURE: 2959600 -124.391 65.7314 74.7123 0.424542 -44.7975 71.3595 222.852 91.9321 236.895 PRESSAVG: 2959600 39.0376 -5.43168 -34.2004 -5.43166 -7.84424 -67.8109 -34.2003 -67.811 -11.0748 GPRESSAVG: 2959600 39.3238 -6.66208 -33.3562 -5.03719 -7.12324 -68.8787 -34.0089 -67.4638 -11.5912 TIMING: 2959600 CPU: 9346.68, 0.00315701/step Wall: 9346.68, 0.00315701/step, 1.78933 hours remaining, 237.125000 MB of memory in use. ENERGY: 2959600 4016.7019 20561.0345 14407.3344 234.5924 -203473.6565 2625.9896 0.0000 0.0000 52045.4374 -109582.5662 299.1058 -161628.0036 -109220.7499 299.0105 -1.9076 22.5689 761077.3569 6.7062 6.8698 PRESSURE: 2959800 -58.3035 128.154 268.455 128.155 112.667 357.026 268.456 357.025 207.815 GPRESSURE: 2959800 -30.3971 149.695 263.014 133.384 213.73 308.089 203.059 232.521 166.193 PRESSAVG: 2959800 16.5572 50.3824 -55.5696 50.3823 -26.2012 -17.6509 -55.5696 -17.6509 8.54384 GPRESSAVG: 2959800 17.6283 51.0778 -57.8893 51.3534 -26.4813 -17.1409 -55.8968 -20.8249 7.58674 TIMING: 2959800 CPU: 9347.31, 0.00314631/step Wall: 9347.31, 0.00314631/step, 1.78308 hours remaining, 237.125000 MB of memory in use. ENERGY: 2959800 4034.4251 20579.0687 14394.5475 230.2857 -203229.0341 2589.2881 0.0000 0.0000 51886.1678 -109515.2512 298.1905 -161401.4190 -109151.5164 299.0931 87.3929 116.5084 761831.0292 -0.3667 -0.4221 PRESSURE: 2960000 157.453 -188.509 -7.60701 -188.509 79.1031 -80.6465 -7.60702 -80.6469 -131.51 GPRESSURE: 2960000 154.686 -231.252 -48.9589 -172.055 122.665 -58.065 180.621 30.5303 -90.5739 PRESSAVG: 2960000 -32.6379 -26.3645 9.75193 -26.3643 14.3389 -3.97202 9.7519 -3.97204 21.2475 GPRESSAVG: 2960000 -33.3065 -25.7261 11.4898 -26.6848 14.2183 -2.91651 9.20295 -3.68541 21.5038 TIMING: 2960000 CPU: 9347.94, 0.00316282/step Wall: 9347.94, 0.00316282/step, 1.79226 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: 2960000 3969.0989 20637.8636 14423.9562 249.6693 -202976.4918 2312.4360 0.0000 0.0000 51997.3441 -109386.1236 298.8295 -161383.4677 -109028.1224 299.2348 35.0154 62.2590 761863.9420 0.9828 0.8052 PRESSURE: 2960200 -232.181 -58.477 -76.4682 -58.4767 26.5987 -22.8651 -76.4688 -22.8661 -214.855 GPRESSURE: 2960200 -184.32 -83.4626 -144.327 -89.4453 34.5899 19.83 -124.601 -128.6 -199.223 PRESSAVG: 2960200 -13.015 2.67708 18.5154 2.6771 -1.98498 -10.8772 18.5153 -10.8772 -7.78857 GPRESSAVG: 2960200 -13.3168 2.03309 16.9099 2.70746 -1.8757 -12.1155 20.0191 -8.46482 -7.42682 TIMING: 2960200 CPU: 9348.58, 0.00317/step Wall: 9348.58, 0.00317/step, 1.79616 hours remaining, 237.125000 MB of memory in use. ENERGY: 2960200 4036.4973 20499.5013 14416.7521 224.9632 -203171.8504 2261.1399 0.0000 0.0000 52435.5746 -109297.4220 301.3480 -161732.9966 -108931.5285 299.7182 -140.1459 -116.3177 760255.0847 -7.5962 -7.5398 LDB: ============= START OF LOAD BALANCING ============== 9361.11 LDB: ============== END OF LOAD BALANCING =============== 9361.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9361.12 LDB: ============= START OF LOAD BALANCING ============== 9361.44 LDB: Largest compute 7033 load 0.030857 is 15.8% of average load 0.195517 LDB: Average compute 0.004377 is 2.2% of average load 0.195517 LDB: TIME 9361.44 LOAD: AVG 0.195517 MAX 0.2159 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.617 MB LDB: TIME 9361.44 LOAD: AVG 0.195517 MAX 0.2159 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.617 MB LDB: TIME 9361.44 LOAD: AVG 0.195517 MAX 0.2159 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.617 MB LDB: ============== END OF LOAD BALANCING =============== 9361.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9361.45 PRESSURE: 2960400 -197.998 61.0248 91.7552 61.0249 335.767 -147.059 91.7549 -147.059 155.969 GPRESSURE: 2960400 -180.262 138.65 49.7697 77.952 372.811 -95.0538 63.3964 -255.607 177.663 PRESSAVG: 2960400 -2.349 23.0467 9.85706 23.0468 22.6927 -34.7724 9.85704 -34.7725 26.9394 GPRESSAVG: 2960400 -2.57867 23.8952 9.24867 22.9467 21.9026 -33.9719 9.12029 -37.1543 27.6707 TIMING: 2960400 CPU: 9349.23, 0.00325955/step Wall: 9349.23, 0.00325955/step, 1.84672 hours remaining, 236.093750 MB of memory in use. ENERGY: 2960400 3984.8874 20740.1226 14444.8000 274.2991 -202785.8319 2179.2982 0.0000 0.0000 52095.6703 -109066.7544 299.3945 -161162.4247 -108703.1592 300.5725 97.9126 123.4037 760069.8185 15.7610 15.6649 PRESSURE: 2960600 -58.2727 -44.0024 -248.193 -44.0026 9.85074 167.011 -248.194 167.011 -240.951 GPRESSURE: 2960600 -87.9207 -125.178 -265.37 -30.4449 118.47 207.325 -244.134 208.619 -243.764 PRESSAVG: 2960600 -38.5313 39.8802 15.3607 39.8802 48.191 -79.3444 15.3606 -79.3444 -3.80397 GPRESSAVG: 2960600 -39.2548 40.9112 16.654 38.8255 49.6946 -78.2592 15.3624 -78.6892 -4.35241 TIMING: 2960600 CPU: 9349.87, 0.00319834/step Wall: 9349.87, 0.00319834/step, 1.81186 hours remaining, 236.703125 MB of memory in use. ENERGY: 2960600 4039.9473 20514.3151 14406.9819 235.1435 -203211.1100 2508.3358 0.0000 0.0000 52574.7315 -108931.6548 302.1477 -161506.3863 -108553.2609 300.6953 -96.4578 -71.0714 762096.9613 1.9519 2.0291 PRESSURE: 2960800 -265.228 -128.381 124.055 -128.38 -107.863 89.4289 124.055 89.4299 123.166 GPRESSURE: 2960800 -141.573 -209.351 133.799 -140.221 -184.574 89.9732 29.7631 91.3905 177.245 PRESSAVG: 2960800 20.5482 -47.2139 3.45899 -47.2139 19.0521 11.587 3.45883 11.587 14.4852 GPRESSAVG: 2960800 21.4746 -48.2098 4.65098 -48.1865 17.495 8.75624 1.93601 13.3528 15.2266 TIMING: 2960800 CPU: 9350.51, 0.0031825/step Wall: 9350.51, 0.0031825/step, 1.80271 hours remaining, 236.703125 MB of memory in use. ENERGY: 2960800 3999.7909 20490.5436 14427.3267 242.6902 -203053.7930 2417.0781 0.0000 0.0000 52374.8712 -109101.4923 300.9991 -161476.3635 -108745.8261 300.0658 -83.3084 -49.6337 762378.0913 18.0285 18.0654 PRESSURE: 2961000 184.036 -61.4172 -170.769 -61.4173 -462.76 51.8393 -170.769 51.8383 -263.895 GPRESSURE: 2961000 258.764 -99.9765 -165.643 -133.925 -487.52 -29.9499 -252.532 80.3536 -216.696 PRESSAVG: 2961000 27.9519 4.50463 -14.4847 4.50468 -36.0615 19.8152 -14.4846 19.8152 -14.8925 GPRESSAVG: 2961000 28.3206 5.62377 -16.545 4.85823 -36.6131 22.5394 -12.7618 16.3628 -14.677 TIMING: 2961000 CPU: 9351.14, 0.00318242/step Wall: 9351.14, 0.00318242/step, 1.80249 hours remaining, 236.703125 MB of memory in use. ENERGY: 2961000 4041.2482 20548.8475 14476.0716 255.5564 -202971.6623 2614.1722 0.0000 0.0000 52101.4665 -108934.3000 299.4278 -161035.7664 -108576.5748 299.5261 -180.8731 -148.4840 762948.0283 -7.6673 -7.6565 PRESSURE: 2961200 -45.8158 185.277 39.6853 185.277 -308.887 36.8612 39.6845 36.8619 56.5047 GPRESSURE: 2961200 72.2348 69.0745 -29.3673 180.805 -292.276 33.765 -3.21124 158.398 3.38172 PRESSAVG: 2961200 41.5263 -0.0196636 -29.0174 -0.0197074 -67.0694 21.9244 -29.0174 21.9243 -14.0662 GPRESSAVG: 2961200 40.8223 -0.561102 -27.5169 0.639251 -65.3208 20.4214 -29.5399 23.9548 -15.1634 TIMING: 2961200 CPU: 9351.78, 0.00317074/step Wall: 9351.78, 0.00317074/step, 1.79569 hours remaining, 236.703125 MB of memory in use. ENERGY: 2961200 4011.1061 20516.6057 14423.8192 249.6331 -203018.5728 2634.4894 0.0000 0.0000 52035.3542 -109147.5651 299.0479 -161182.9193 -108788.1754 300.1100 -99.3994 -72.2200 761980.0107 -13.2031 -13.2206 PRESSURE: 2961400 42.6339 -99.7912 -163.537 -99.7912 -56.7801 151.57 -163.538 151.569 -108.272 GPRESSURE: 2961400 53.0804 -75.7686 -236.261 -3.68582 28.9602 123.199 -57.2757 27.2381 -126.828 PRESSAVG: 2961400 58.9 4.37026 -55.2472 4.37023 25.9166 1.48458 -55.2472 1.48455 1.94398 GPRESSAVG: 2961400 58.2643 3.40807 -55.7259 4.8061 26.1356 1.27037 -55.3039 2.37385 2.51229 TIMING: 2961400 CPU: 9352.41, 0.00318074/step Wall: 9352.41, 0.00318074/step, 1.80118 hours remaining, 236.703125 MB of memory in use. ENERGY: 2961400 3989.3449 20562.8111 14467.7936 242.4002 -203211.2812 2549.9341 0.0000 0.0000 52246.8439 -109152.1534 300.2633 -161398.9974 -108792.8471 299.8468 -40.8060 -14.9292 760583.8359 28.9202 28.9707 PRESSURE: 2961600 244.3 231.372 -240.57 231.372 16.0142 121.344 -240.569 121.344 41.3844 GPRESSURE: 2961600 272.287 190.799 -181.289 177.847 55.9751 12.1278 -146.445 138.64 52.1831 PRESSAVG: 2961600 40.3828 1.40685 -36.1704 1.40684 -63.019 -10.1487 -36.1704 -10.1486 -1.38231 GPRESSAVG: 2961600 40.9683 0.997093 -35.7077 1.3559 -63.6018 -12.6815 -36.1233 -10.906 -1.65194 TIMING: 2961600 CPU: 9353.05, 0.00317104/step Wall: 9353.05, 0.00317104/step, 1.79551 hours remaining, 236.703125 MB of memory in use. ENERGY: 2961600 3934.2436 20266.4684 14421.1565 242.0287 -203225.4683 2817.4356 0.0000 0.0000 52241.7857 -109302.3497 300.2343 -161544.1354 -108944.3308 299.7442 100.5661 126.8151 760739.6696 -8.0062 -8.0951 PRESSURE: 2961800 -295.817 -241.055 255.394 -241.056 -42.3379 170.5 255.394 170.501 -472.581 GPRESSURE: 2961800 -192.319 -254.523 209.564 -222.567 -16.3858 93.7745 143.446 211.297 -502.795 PRESSAVG: 2961800 -6.91733 -17.6253 -38.6463 -17.6253 -44.9818 1.8033 -38.6463 1.8032 -18.6343 GPRESSAVG: 2961800 -7.85622 -18.0098 -41.6781 -15.6496 -43.9609 4.68102 -39.5442 0.65833 -18.4142 TIMING: 2961800 CPU: 9353.68, 0.00316849/step Wall: 9353.68, 0.00316849/step, 1.79389 hours remaining, 236.773438 MB of memory in use. ENERGY: 2961800 3962.9289 20460.7583 14356.5523 235.3154 -202793.9263 2444.4305 0.0000 0.0000 52063.6731 -109270.2679 299.2106 -161333.9410 -108902.8151 299.8474 -270.2453 -237.1665 762883.8588 -23.5111 -23.4104 PRESSURE: 2962000 259.204 220.885 -191.768 220.885 -99.689 -19.6793 -191.768 -19.6795 -183.218 GPRESSURE: 2962000 245.67 236.234 -232.033 218.97 -68.4075 -21.8409 -59.9314 66.9758 -102.901 PRESSAVG: 2962000 25.5592 -11.0998 42.2038 -11.0998 -18.2275 29.1324 42.2038 29.1325 10.584 GPRESSAVG: 2962000 26.864 -11.5084 44.6963 -13.0605 -19.3328 30.4303 44.3124 29.6502 11.0154 TIMING: 2962000 CPU: 9354.32, 0.00317741/step Wall: 9354.32, 0.00317741/step, 1.79877 hours remaining, 236.773438 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: 2962000 3970.2412 20502.2562 14268.8939 250.4137 -202802.3215 2346.3265 0.0000 0.0000 52181.0770 -109283.1131 299.8854 -161464.1901 -108923.7209 299.1790 -7.9011 24.7873 762979.9558 5.9719 6.1822 PRESSURE: 2962200 336.061 -163.595 107.512 -163.596 -423.194 -47.2449 107.512 -47.245 8.13925 GPRESSURE: 2962200 306.719 -149.67 -0.412958 -235.691 -354.788 -105.569 113.575 -37.4359 40.9201 PRESSAVG: 2962200 71.0841 16.1416 -1.7644 16.1416 -76.0574 -36.1866 -1.76437 -36.1865 3.81629 GPRESSAVG: 2962200 70.8656 17.0123 -2.68845 16.0826 -75.9241 -38.766 -2.20967 -35.1132 3.14805 TIMING: 2962200 CPU: 9354.95, 0.00315132/step Wall: 9354.95, 0.00315132/step, 1.78382 hours remaining, 236.773438 MB of memory in use. ENERGY: 2962200 3992.1497 20498.4441 14343.0986 252.8940 -202921.8435 2483.9693 0.0000 0.0000 51836.8784 -109514.4094 297.9073 -161351.2878 -109151.4854 299.2140 -26.3312 -2.3831 762682.1095 -0.3856 -0.6368 PRESSURE: 2962400 -257.187 -91.5834 -243.276 -91.5838 -122.955 105.026 -243.275 105.025 5.12823 GPRESSURE: 2962400 -182.126 -175.702 -171.284 -88.5609 -134.648 52.6905 -64.0253 76.2917 64.7178 PRESSAVG: 2962400 -14.5023 -15.6529 -87.2445 -15.6529 38.363 -43.6424 -87.2444 -43.6424 -16.1898 GPRESSAVG: 2962400 -13.9399 -14.1517 -85.7506 -16.6691 37.8887 -42.925 -87.1425 -44.2183 -16.5201 TIMING: 2962400 CPU: 9355.58, 0.00316211/step Wall: 9355.58, 0.00316211/step, 1.78976 hours remaining, 236.773438 MB of memory in use. ENERGY: 2962400 3858.2491 20386.3882 14409.8047 218.1420 -203641.1317 2964.7817 0.0000 0.0000 52047.3857 -109756.3803 299.1170 -161803.7659 -109380.5692 298.6826 -125.0048 -84.0185 762536.8321 2.5570 2.4762 PRESSURE: 2962600 -178.676 123.738 -129.402 123.737 -89.3114 -4.06563 -129.402 -4.06353 -131.318 GPRESSURE: 2962600 -208.697 75.7973 -167.387 99.6072 -1.82116 -18.1263 -111.379 -88.4861 -104.399 PRESSAVG: 2962600 -31.9074 -8.80724 -75.1938 -8.8073 7.50058 -45.9773 -75.1938 -45.9773 1.57358 GPRESSAVG: 2962600 -31.0333 -10.5778 -75.5205 -7.62857 7.61423 -44.587 -76.7199 -47.3462 0.750834 TIMING: 2962600 CPU: 9356.21, 0.0031484/step Wall: 9356.21, 0.0031484/step, 1.78182 hours remaining, 236.773438 MB of memory in use. ENERGY: 2962600 4039.5933 20376.1631 14396.4700 233.1915 -203020.9345 2413.2122 0.0000 0.0000 51834.6218 -109727.6827 297.8943 -161562.3044 -109362.5471 298.3103 -133.1019 -104.9724 765215.2457 -7.6111 -7.5561 PRESSURE: 2962800 152.44 -59.1129 103.592 -59.1128 285.824 178.882 103.592 178.883 37.2765 GPRESSURE: 2962800 132.766 -155.786 144.48 9.0999 311.641 161.597 67.55 279.104 109.754 PRESSAVG: 2962800 -12.9334 -38.1804 -30.0824 -38.1804 15.9008 14.5653 -30.0824 14.5653 0.0673667 GPRESSAVG: 2962800 -15.3992 -36.8999 -31.3975 -37.1799 15.6254 12.5216 -30.7377 18.0276 2.25825 TIMING: 2962800 CPU: 9356.84, 0.00314436/step Wall: 9356.84, 0.00314436/step, 1.77936 hours remaining, 236.773438 MB of memory in use. ENERGY: 2962800 3910.7894 20362.5921 14414.6930 231.6118 -203358.0005 2573.1860 0.0000 0.0000 52044.7292 -109820.3990 299.1018 -161865.1282 -109462.2485 298.1756 158.5137 184.7207 762405.4935 1.0116 0.8282 PRESSURE: 2963000 31.4261 0.0435897 180.62 0.0431452 171.434 -81.26 180.62 -81.2602 -257.478 GPRESSURE: 2963000 134.74 -52.4811 138.807 52.977 130.331 -202.877 226.317 17.3275 -231.078 PRESSAVG: 2963000 19.9079 1.5224 7.41572 1.5224 -44.3845 -37.3067 7.41574 -37.3067 -10.7342 GPRESSAVG: 2963000 23.3311 -0.465814 8.02732 1.32781 -44.8075 -37.538 10.0778 -38.7286 -13.1155 TIMING: 2963000 CPU: 9357.46, 0.00313801/step Wall: 9357.46, 0.00313801/step, 1.77559 hours remaining, 236.773438 MB of memory in use. ENERGY: 2963000 3958.8949 20627.2407 14381.7387 245.5031 -203232.8490 2445.1163 0.0000 0.0000 51908.3966 -109665.9589 298.3183 -161574.3554 -109320.9050 298.0940 -18.2062 11.3309 762541.8696 -11.7369 -11.5307 PRESSURE: 2963200 212.463 -94.5301 -41.8482 -94.529 146.501 -55.831 -41.848 -55.8306 -32.5147 GPRESSURE: 2963200 253.82 -130.835 -101.215 -39.8921 70.5259 17.2097 -90.2514 -47.1915 90.6337 PRESSAVG: 2963200 7.29982 -1.54004 26.3456 -1.53997 -44.1225 25.2516 26.3456 25.2518 -33.077 GPRESSAVG: 2963200 5.57203 1.33685 25.6 -1.57264 -43.3312 25.0322 24.5562 23.8481 -32.1517 TIMING: 2963200 CPU: 9358.1, 0.00315261/step Wall: 9358.1, 0.00315261/step, 1.78368 hours remaining, 236.773438 MB of memory in use. ENERGY: 2963200 3874.0054 20424.1361 14433.8446 228.6623 -202933.0815 2431.9431 0.0000 0.0000 52117.8390 -109422.6511 299.5219 -161540.4901 -109050.7681 298.7680 108.8164 138.3264 762755.2121 -23.2999 -23.3036 PRESSURE: 2963400 112.72 -38.8407 106.801 -38.8403 123.316 143.451 106.801 143.45 -130.614 GPRESSURE: 2963400 213.365 -176.368 78.2455 12.4733 189.775 177.18 63.2726 107.259 -199.869 PRESSAVG: 2963400 23.9363 3.5752 26.4484 3.57525 41.3245 20.9732 26.4485 20.9731 12.0899 GPRESSAVG: 2963400 23.9405 2.35286 27.0581 1.8633 42.0331 21.8759 26.3517 19.4721 11.8615 TIMING: 2963400 CPU: 9358.73, 0.0031512/step Wall: 9358.73, 0.0031512/step, 1.7827 hours remaining, 236.773438 MB of memory in use. ENERGY: 2963400 4034.2565 20447.7096 14520.4107 251.0872 -203554.6960 2789.8803 0.0000 0.0000 52095.5722 -109415.7796 299.3940 -161511.3518 -109067.8875 299.8509 35.1407 67.7567 761940.0886 25.7836 25.9450 PRESSURE: 2963600 99.4222 -117.297 12.4037 -117.296 20.5127 -41.7376 12.4041 -41.7377 422.585 GPRESSURE: 2963600 214.131 -130.403 86.0315 -79.024 18.6944 11.1602 53.3223 -49.4546 388.934 PRESSAVG: 2963600 19.8005 -28.1167 16.3816 -28.1167 -4.30643 21.7784 16.3816 21.7784 4.76296 GPRESSAVG: 2963600 19.8121 -26.8732 16.0543 -26.8404 -4.58675 23.0955 17.0831 23.6483 5.35401 TIMING: 2963600 CPU: 9359.36, 0.00316798/step Wall: 9359.36, 0.00316798/step, 1.79202 hours remaining, 236.773438 MB of memory in use. ENERGY: 2963600 3988.8109 20572.4526 14436.8956 244.5791 -203283.2096 2642.0386 0.0000 0.0000 51937.6039 -109460.8289 298.4861 -161398.4328 -109100.6052 299.4750 180.8400 207.2529 761475.5954 6.7523 6.8598 PRESSURE: 2963800 -297.285 -148.268 -100.074 -148.267 -113.748 34.7612 -100.074 34.7616 -87.4441 GPRESSURE: 2963800 -223.632 -150.016 -8.0256 -59.0608 -155.451 84.2532 -16.2251 61.9259 -26.2925 PRESSAVG: 2963800 -3.2536 -32.0432 -37.4978 -32.0433 22.4062 -14.9654 -37.4978 -14.9654 -24.7164 GPRESSAVG: 2963800 -3.19055 -32.1924 -36.4203 -32.4073 23.0443 -15.41 -38.1367 -16.1656 -25.388 TIMING: 2963800 CPU: 9359.99, 0.00316593/step Wall: 9359.99, 0.00316593/step, 1.79068 hours remaining, 236.773438 MB of memory in use. ENERGY: 2963800 4063.0495 20485.0724 14463.9300 241.5896 -203248.9699 2415.4780 0.0000 0.0000 51894.1931 -109685.6574 298.2366 -161579.8504 -109334.1844 299.4060 -166.1590 -135.1253 761104.0550 -1.8546 -1.8448 PRESSURE: 2964000 -25.89 52.6356 100.145 52.6362 -308.826 37.2551 100.145 37.2547 -237.003 GPRESSURE: 2964000 37.8869 45.2488 69.6539 84.5443 -314.149 36.5687 202.303 16.964 -225.012 PRESSAVG: 2964000 -3.09481 38.2506 2.26491 38.2506 -62.8691 -14.6678 2.26494 -14.6678 4.53629 GPRESSAVG: 2964000 -2.88089 37.6613 0.751952 39.8854 -61.9391 -16.0103 4.43653 -11.5807 4.12461 TIMING: 2964000 CPU: 9360.63, 0.00317127/step Wall: 9360.63, 0.00317127/step, 1.79353 hours remaining, 236.773438 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: 2964000 4028.8096 20428.7767 14421.4163 232.2324 -203415.8296 2422.5200 0.0000 0.0000 52073.4295 -109808.6451 299.2667 -161882.0746 -109435.8386 298.6682 -190.5728 -167.0912 762389.6335 -20.4759 -20.2318 PRESSURE: 2964200 -264.831 263.608 6.24676 263.608 -204.625 -9.64304 6.24743 -9.64201 -222.025 GPRESSURE: 2964200 -146.802 274.987 54.5407 122.914 -255.792 -72.3696 63.4536 14.7827 -210.773 PRESSAVG: 2964200 3.58198 46.3436 -45.2357 46.3436 12.2897 -4.5857 -45.2357 -4.58567 18.2152 GPRESSAVG: 2964200 3.65323 46.2778 -45.459 44.8011 11.5773 -4.22093 -46.4148 -4.02872 19.3258 TIMING: 2964200 CPU: 9361.26, 0.00315649/step Wall: 9361.26, 0.00315649/step, 1.785 hours remaining, 236.773438 MB of memory in use. ENERGY: 2964200 3998.7780 20444.1594 14459.9148 232.8762 -203095.4971 2332.6609 0.0000 0.0000 51899.3931 -109727.7146 298.2665 -161627.1078 -109358.3844 298.8404 -230.4939 -204.4554 763269.9019 11.3623 11.5187 LDB: ============= START OF LOAD BALANCING ============== 9373.79 LDB: ============== END OF LOAD BALANCING =============== 9373.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9373.79 LDB: ============= START OF LOAD BALANCING ============== 9374.11 LDB: Largest compute 7072 load 0.031707 is 16.2% of average load 0.195596 LDB: Average compute 0.004382 is 2.2% of average load 0.195596 LDB: TIME 9374.11 LOAD: AVG 0.195596 MAX 0.212023 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.141 MB LDB: TIME 9374.11 LOAD: AVG 0.195596 MAX 0.212023 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.344 MB LDB: TIME 9374.11 LOAD: AVG 0.195596 MAX 0.212023 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.344 MB LDB: ============== END OF LOAD BALANCING =============== 9374.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9374.12 PRESSURE: 2964400 -446.5 48.1818 76.4682 48.1829 70.386 -131.726 76.4682 -131.727 -293.248 GPRESSURE: 2964400 -441.978 39.9661 65.7181 25.1667 81.8728 -93.4257 3.71801 -159.584 -216.27 PRESSAVG: 2964400 13.7142 20.3567 15.8521 20.3566 -32.4141 6.61385 15.8521 6.61382 1.58307 GPRESSAVG: 2964400 12.9815 18.7732 16.3321 20.195 -31.4537 6.99541 14.8997 4.89817 1.34138 TIMING: 2964400 CPU: 9361.9, 0.00323258/step Wall: 9361.9, 0.00323258/step, 1.82784 hours remaining, 235.652344 MB of memory in use. ENERGY: 2964400 3990.4176 20635.6103 14500.3328 241.2439 -203316.0713 2453.0107 0.0000 0.0000 52008.7321 -109486.7238 298.8949 -161495.4560 -109124.9155 299.0782 -223.1208 -192.1253 762509.5021 -5.7056 -5.7103 PRESSURE: 2964600 352.193 202.425 1.10072 202.425 359.175 112.997 1.09939 112.996 -446.556 GPRESSURE: 2964600 397.857 117.717 1.18004 212.774 335.037 108.624 7.90345 14.627 -374.053 PRESSAVG: 2964600 -38.6222 28.4522 60.1899 28.4522 17.7662 3.2544 60.1898 3.25447 -23.8624 GPRESSAVG: 2964600 -37.0989 29.0182 59.6947 29.1619 15.7762 2.96523 60.5549 3.3875 -24.1294 TIMING: 2964600 CPU: 9362.54, 0.00316155/step Wall: 9362.54, 0.00316155/step, 1.7875 hours remaining, 235.707031 MB of memory in use. ENERGY: 2964600 3992.4680 20446.5529 14427.6376 252.1624 -203279.8870 2633.6409 0.0000 0.0000 51874.6572 -109652.7679 298.1244 -161527.4251 -109295.1173 298.9049 88.2704 119.6138 761191.8893 -14.9061 -15.1507 PRESSURE: 2964800 164.62 131.959 -56.0194 131.959 219.83 62.0768 -56.0193 62.0764 153.676 GPRESSURE: 2964800 290.984 127.472 -52.0448 189.876 218.908 9.00452 -51.1028 18.7666 139.847 PRESSAVG: 2964800 -11.4299 25.5492 10.6506 25.5492 11.1509 30.9404 10.6507 30.9404 -5.32915 GPRESSAVG: 2964800 -12.7284 27.2201 12.7277 24.9949 11.1778 30.6112 9.12409 28.5389 -4.49468 TIMING: 2964800 CPU: 9363.17, 0.00315387/step Wall: 9363.17, 0.00315387/step, 1.78299 hours remaining, 235.707031 MB of memory in use. ENERGY: 2964800 4044.6872 20371.9350 14456.7768 259.2883 -203747.9598 2957.4981 0.0000 0.0000 52021.9473 -109635.8271 298.9708 -161657.7744 -109276.1125 298.5865 179.3754 216.5795 761867.2710 -1.8694 -2.0151 PRESSURE: 2965000 -127.488 -119.018 -72.5569 -119.017 -87.3994 16.1567 -72.5572 16.1573 104.486 GPRESSURE: 2965000 -23.8234 -177.358 -37.6012 -112.824 -88.5623 31.772 -142.587 109.853 83.6973 PRESSAVG: 2965000 -55.9538 -4.98873 27.5454 -4.98873 89.2385 40.1094 27.5453 40.1094 22.2771 GPRESSAVG: 2965000 -54.8019 -5.63196 25.1496 -4.38599 89.2341 41.2822 27.5585 41.1347 20.5089 TIMING: 2965000 CPU: 9363.8, 0.00316937/step Wall: 9363.8, 0.00316937/step, 1.79158 hours remaining, 235.707031 MB of memory in use. ENERGY: 2965000 3985.2114 20619.4273 14409.1257 241.5572 -203306.1621 2380.2290 0.0000 0.0000 51976.2432 -109694.3684 298.7082 -161670.6116 -109319.1206 298.8838 -36.8005 -9.5628 760944.8711 18.5206 18.3137 PRESSURE: 2965200 -58.3683 -95.4965 83.4689 -95.4977 -276.655 -250.97 83.4691 -250.968 -182.587 GPRESSURE: 2965200 -95.3711 -249.532 85.4665 -166.057 -213.754 -108.912 108.928 -229.539 -128.486 PRESSAVG: 2965200 -47.1636 34.6694 -31.0163 34.6694 61.0288 0.720421 -31.0162 0.72056 25.6 GPRESSAVG: 2965200 -48.7956 34.1335 -32.0452 35.234 61.4714 1.02592 -28.9397 1.27804 26.516 TIMING: 2965200 CPU: 9364.43, 0.00316339/step Wall: 9364.43, 0.00316339/step, 1.78802 hours remaining, 235.707031 MB of memory in use. ENERGY: 2965200 4047.0952 20372.9447 14430.2123 239.2067 -203130.2779 2282.0698 0.0000 0.0000 52032.5918 -109726.1574 299.0320 -161758.7492 -109361.6786 298.8162 -172.5367 -145.8703 762067.5455 13.1551 13.0639 PRESSURE: 2965400 -0.939458 40.8652 168.119 40.8651 45.9846 -15.8993 168.118 -15.8981 -200.07 GPRESSURE: 2965400 7.98224 -91.9894 214.212 116.236 132.547 23.251 33.2702 -126.684 -198.824 PRESSAVG: 2965400 -19.7971 -26.1362 34.2199 -26.1362 -0.0772498 -27.2515 34.2199 -27.2514 -8.77727 GPRESSAVG: 2965400 -19.4358 -25.6783 36.3944 -27.2188 0.887847 -27.482 33.3263 -27.6415 -10.2164 TIMING: 2965400 CPU: 9365.07, 0.00316192/step Wall: 9365.07, 0.00316192/step, 1.78701 hours remaining, 235.707031 MB of memory in use. ENERGY: 2965400 4026.8647 20588.8365 14437.2222 243.2973 -203647.2058 2758.6456 0.0000 0.0000 52027.7150 -109564.6245 299.0040 -161592.3395 -109210.2024 299.0332 -51.6748 -19.4317 760496.1839 -9.5505 -9.5881 PRESSURE: 2965600 -574.521 -18.5281 -127.254 -18.5288 -284.566 -78.4156 -127.254 -78.4156 -24.0178 GPRESSURE: 2965600 -497.745 69.1699 -161.183 119.985 -273.836 -96.1347 49.8939 -96.0175 -15.178 PRESSAVG: 2965600 -24.6383 -15.8816 14.0709 -15.8815 43.2046 -7.99166 14.071 -7.99153 10.4752 GPRESSAVG: 2965600 -25.1231 -17.4465 14.1673 -15.3962 42.7616 -7.68043 13.3626 -7.12842 11.1968 TIMING: 2965600 CPU: 9365.7, 0.00316359/step Wall: 9365.7, 0.00316359/step, 1.78778 hours remaining, 235.707031 MB of memory in use. ENERGY: 2965600 3919.1426 20538.0823 14395.4386 256.8692 -202947.8338 2550.4977 0.0000 0.0000 51709.9657 -109577.8377 297.1779 -161287.8034 -109214.0121 299.0074 -294.3683 -262.2529 765237.1435 9.6805 9.6117 PRESSURE: 2965800 -62.4615 -332.605 240.619 -332.604 -187.266 118.776 240.619 118.777 -154.835 GPRESSURE: 2965800 3.55677 -303.203 180.528 -335.747 -208.748 131.93 218.341 202.729 -103.494 PRESSAVG: 2965800 -105.426 21.1568 29.4842 21.1567 76.1341 18.5446 29.4842 18.5445 -1.92785 GPRESSAVG: 2965800 -104.839 24.6492 29.6049 18.8936 76.1407 16.8387 30.822 18.8505 -2.40982 TIMING: 2965800 CPU: 9366.33, 0.00314633/step Wall: 9366.33, 0.00314633/step, 1.77785 hours remaining, 235.707031 MB of memory in use. ENERGY: 2965800 4002.6510 20604.0815 14458.6885 234.9728 -203191.7480 2424.4466 0.0000 0.0000 51927.0988 -109539.8089 298.4258 -161466.9077 -109181.4423 298.8001 -134.8540 -102.8950 762966.4027 -10.4064 -10.3695 PRESSURE: 2966000 -228.629 120.64 279.846 120.641 -66.36 -115.323 279.846 -115.323 61.3721 GPRESSURE: 2966000 -226.657 147.84 244.572 68.9911 -43.2955 -171.827 273.341 -98.6593 116.284 PRESSAVG: 2966000 -52.0307 -30.6834 29.3025 -30.6834 56.109 19.9957 29.3024 19.9957 -7.93743 GPRESSAVG: 2966000 -50.8224 -31.6716 28.0321 -27.0843 54.7405 18.4919 27.9773 21.0887 -7.91821 TIMING: 2966000 CPU: 9366.96, 0.00314301/step Wall: 9366.96, 0.00314301/step, 1.7758 hours remaining, 235.707031 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: 2966000 4031.3830 20689.4461 14437.7951 237.0066 -203471.4683 2589.2217 0.0000 0.0000 52067.3513 -109419.2644 299.2318 -161486.6158 -109064.5308 299.1463 -77.8723 -51.2231 763021.4828 -1.2864 -1.3334 PRESSURE: 2966200 -41.6732 -221.936 -7.8852 -221.936 -408.953 -32.1186 -7.88493 -32.1189 -179.864 GPRESSURE: 2966200 -93.4956 -258.735 -60.8826 -174.481 -344.675 -6.14121 70.1746 -9.39449 -108.615 PRESSAVG: 2966200 -9.13545 -28.6474 -13.7165 -28.6473 1.39175 5.84911 -13.7165 5.8491 10.225 GPRESSAVG: 2966200 -10.7244 -29.8431 -14.2887 -30.873 2.21045 8.14401 -14.4656 5.31562 11.2487 TIMING: 2966200 CPU: 9367.59, 0.00315724/step Wall: 9367.59, 0.00315724/step, 1.78367 hours remaining, 235.707031 MB of memory in use. ENERGY: 2966200 3994.3990 20566.7304 14474.7142 243.9669 -203415.1671 2760.8408 0.0000 0.0000 51904.6972 -109469.8186 298.2970 -161374.5157 -109111.7845 298.9956 -210.1635 -182.2618 764467.4338 0.8271 0.9116 PRESSURE: 2966400 -311.136 -118.919 6.31541 -118.919 -119.993 22.8847 6.31521 22.8839 -319.472 GPRESSURE: 2966400 -322.333 -95.6417 34.1421 -98.6121 -69.8069 105.015 54.9721 -95.1202 -280.172 PRESSAVG: 2966400 -65.4581 -37.8778 27.8074 -37.8779 27.1413 15.5019 27.8074 15.502 20.8385 GPRESSAVG: 2966400 -66.1378 -38.8028 30.9137 -36.2672 27.3567 16.0529 27.4981 12.7724 21.6404 TIMING: 2966400 CPU: 9368.22, 0.00316241/step Wall: 9368.22, 0.00316241/step, 1.78641 hours remaining, 235.707031 MB of memory in use. ENERGY: 2966400 4025.1691 20346.1102 14437.9772 247.0610 -203032.0242 2409.6064 0.0000 0.0000 52122.2395 -109443.8608 299.5472 -161566.1003 -109084.2419 299.2862 -250.2006 -224.1042 762684.6741 -5.8261 -5.7136 PRESSURE: 2966600 -164.754 4.13983 86.9984 4.14032 65.5164 98.1361 86.9986 98.1359 -214.444 GPRESSURE: 2966600 -91.9497 43.0502 41.2209 -82.9689 22.7528 111.732 64.6442 30.1283 -169.597 PRESSAVG: 2966600 2.32427 10.9011 9.7165 10.9011 22.9158 -10.3593 9.7165 -10.3593 32.2741 GPRESSAVG: 2966600 3.64439 15.1032 7.25896 8.8063 23.5282 -10.3938 11.5578 -9.02534 30.1735 TIMING: 2966600 CPU: 9368.86, 0.00317903/step Wall: 9368.86, 0.00317903/step, 1.79562 hours remaining, 235.707031 MB of memory in use. ENERGY: 2966600 3961.3857 20579.7229 14457.1386 245.0338 -203227.4396 2550.1572 0.0000 0.0000 52046.0058 -109387.9956 299.1091 -161434.0014 -109033.5330 299.0912 -104.5605 -79.5980 763884.9419 19.1714 19.1153 PRESSURE: 2966800 -418.264 9.37298 162.036 9.37254 -295.115 -187.247 162.036 -187.246 -394.187 GPRESSURE: 2966800 -439.907 -22.4022 172.407 37.3836 -276.742 -68.2132 47.381 -246.728 -324.553 PRESSAVG: 2966800 -7.95326 -2.14044 45.6614 -2.1404 9.94575 12.971 45.6615 12.9709 -19.5976 GPRESSAVG: 2966800 -8.78111 -3.79817 47.2678 -2.93473 9.02622 12.024 43.9842 12.8331 -17.9908 TIMING: 2966800 CPU: 9369.5, 0.00321571/step Wall: 9369.5, 0.00321571/step, 1.81616 hours remaining, 235.707031 MB of memory in use. ENERGY: 2966800 3990.0583 20487.4344 14416.0856 238.7174 -203221.7164 2506.2081 0.0000 0.0000 51941.7240 -109641.4887 298.5098 -161583.2127 -109274.6429 298.9155 -369.1886 -347.0674 763784.9596 -5.8684 -5.9152 PRESSURE: 2967000 -2.92252 -277.272 -101.064 -277.271 -64.5414 -207.242 -101.063 -207.241 63.0603 GPRESSURE: 2967000 -48.8208 -242.477 -113.098 -201.516 0.21477 -205.268 48.6648 -73.9982 141.843 PRESSAVG: 2967000 31.2968 -27.8484 -43.1397 -27.8483 -10.6904 2.22138 -43.1397 2.22136 1.13375 GPRESSAVG: 2967000 30.4667 -27.6399 -43.3198 -27.4384 -10.1162 3.03368 -42.7753 3.31386 0.940274 TIMING: 2967000 CPU: 9370.13, 0.00315519/step Wall: 9370.13, 0.00315519/step, 1.78181 hours remaining, 235.945312 MB of memory in use. ENERGY: 2967000 3963.8678 20544.5375 14467.0282 252.1206 -203533.8911 2761.6103 0.0000 0.0000 51952.5709 -109592.1559 298.5721 -161544.7268 -109228.0123 298.5846 -1.4679 31.0791 762465.2937 7.2467 7.0969 PRESSURE: 2967200 102.233 -12.798 -76.9982 -12.7984 36.1086 -37.7283 -76.9983 -37.7282 395.703 GPRESSURE: 2967200 230.374 -114.81 -83.1086 6.54221 -16.4186 -55.0463 -21.4455 -33.2872 373.559 PRESSAVG: 2967200 66.8948 -25.0515 3.58514 -25.0516 -25.694 32.8297 3.58514 32.8298 -11.401 GPRESSAVG: 2967200 67.5477 -27.5588 3.56741 -24.315 -26.0627 30.1718 5.08559 34.2385 -12.0853 TIMING: 2967200 CPU: 9370.77, 0.00318523/step Wall: 9370.77, 0.00318523/step, 1.79859 hours remaining, 235.945312 MB of memory in use. ENERGY: 2967200 4039.7011 20485.1979 14464.1977 250.7057 -203936.7156 2934.8898 0.0000 0.0000 52066.7265 -109695.2970 299.2282 -161762.0235 -109335.1638 298.5858 178.0148 195.8381 761637.9320 9.9333 9.7999 PRESSURE: 2967400 7.1122 196.046 340.21 196.046 -88.0008 211.472 340.21 211.473 153.978 GPRESSURE: 2967400 40.6083 136.59 307.793 112.786 -59.1231 214.527 181.35 215.646 176.533 PRESSAVG: 2967400 20.3343 15.0654 -1.63298 15.0654 -47.5357 32.0043 -1.63295 32.0043 9.50997 GPRESSAVG: 2967400 20.3541 15.9776 -1.64521 13.9968 -48.1537 34.0414 -3.95227 31.5496 10.1928 TIMING: 2967400 CPU: 9371.4, 0.00314936/step Wall: 9371.4, 0.00314936/step, 1.77816 hours remaining, 235.945312 MB of memory in use. ENERGY: 2967400 4042.0265 20547.6066 14404.5024 226.7655 -203435.1828 2695.5915 0.0000 0.0000 52021.5732 -109497.1170 298.9687 -161518.6902 -109130.7084 298.7462 24.3630 52.6726 762660.6983 -5.8971 -5.8689 PRESSURE: 2967600 14.2615 -121.746 154.452 -121.746 -81.8211 -74.036 154.452 -74.0382 -42.8215 GPRESSURE: 2967600 139.835 -113.545 95.3466 4.79092 -179.638 -83.4483 217.607 38.7148 15.2185 PRESSAVG: 2967600 19.0581 -11.7638 23.6377 -11.7638 21.7718 13.8409 23.6377 13.8409 1.94373 GPRESSAVG: 2967600 19.3635 -12.1757 25.0287 -8.75174 21.8434 14.1232 26.4522 12.7738 1.49014 TIMING: 2967600 CPU: 9372.03, 0.00315865/step Wall: 9372.03, 0.00315865/step, 1.78323 hours remaining, 235.945312 MB of memory in use. ENERGY: 2967600 4016.3446 20558.2695 14410.6876 229.0916 -203120.6019 2377.3226 0.0000 0.0000 52252.9773 -109275.9087 300.2986 -161528.8860 -108902.6550 299.8157 -36.7937 -8.1949 762313.1407 14.2579 14.2324 PRESSURE: 2967800 30.3737 -5.38975 129.019 -5.39089 -200.761 83.2515 129.019 83.2511 -32.721 GPRESSURE: 2967800 -4.11522 -12.8535 141.428 -69.9458 -115.42 121.657 132.597 -12.6366 2.62995 PRESSAVG: 2967800 72.0667 -6.95344 4.32197 -6.95341 -53.6764 18.0543 4.32194 18.0542 -1.20494 GPRESSAVG: 2967800 72.5493 -6.48969 3.52464 -7.89595 -53.3106 17.5861 1.97986 15.1001 -1.20916 TIMING: 2967800 CPU: 9372.66, 0.00317036/step Wall: 9372.66, 0.00317036/step, 1.78967 hours remaining, 235.945312 MB of memory in use. ENERGY: 2967800 3964.9878 20562.0610 14426.3712 244.4049 -203676.3611 2909.2726 0.0000 0.0000 52205.8768 -109363.3870 300.0279 -161569.2637 -109007.5464 300.0966 -67.7028 -38.9685 763844.4619 5.7284 6.0098 PRESSURE: 2968000 -134.995 -112.698 31.302 -112.699 -198.782 127.621 31.3033 127.621 -207.495 GPRESSURE: 2968000 -83.9606 -200.879 81.2133 -63.2252 -135.735 198.441 108 21.8179 -250.307 PRESSAVG: 2968000 24.0173 -5.41184 -32.4888 -5.41187 22.3099 37.4858 -32.4888 37.4858 -8.73118 GPRESSAVG: 2968000 23.4836 -4.19876 -33.1849 -7.37292 22.0817 37.5858 -30.5578 39.5247 -8.35392 TIMING: 2968000 CPU: 9373.3, 0.00316802/step Wall: 9373.3, 0.00316802/step, 1.78817 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: 2968000 3993.9712 20576.1230 14456.0203 250.9665 -203380.1074 2470.7597 0.0000 0.0000 52098.9040 -109533.3626 299.4131 -161632.2666 -109170.5793 299.6992 -180.4239 -156.6678 762461.1258 12.5320 12.4038 PRESSURE: 2968200 -426.207 -98.9869 84.7694 -98.9872 273.561 73.1983 84.769 73.1991 -375.272 GPRESSURE: 2968200 -296.184 -49.996 16.1359 -28.9949 216.539 135.384 40.761 17.2003 -370.045 PRESSAVG: 2968200 -0.189202 -16.3895 -3.26335 -16.3894 -52.5822 12.1147 -3.26335 12.1147 0.165684 GPRESSAVG: 2968200 -0.141955 -17.395 -3.02037 -14.1562 -52.8042 11.9683 -2.8673 12.5423 0.518176 TIMING: 2968200 CPU: 9373.93, 0.00316809/step Wall: 9373.93, 0.00316809/step, 1.78804 hours remaining, 235.945312 MB of memory in use. ENERGY: 2968200 4110.2914 20626.2829 14443.8403 245.6389 -203262.5514 2675.5340 0.0000 0.0000 51840.4264 -109320.5376 297.9276 -161160.9640 -108970.0274 299.3075 -175.9729 -149.8967 763783.1811 -17.5352 -17.4760 LDB: ============= START OF LOAD BALANCING ============== 9386.47 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9386.47 LDB: =============== DONE WITH MIGRATION ================ 9386.47 LDB: ============= START OF LOAD BALANCING ============== 9386.78 LDB: Largest compute 7072 load 0.031829 is 16.3% of average load 0.195450 LDB: Average compute 0.004382 is 2.2% of average load 0.195450 LDB: TIME 9386.79 LOAD: AVG 0.19545 MAX 0.218677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 9386.79 LOAD: AVG 0.19545 MAX 0.218677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: TIME 9386.79 LOAD: AVG 0.19545 MAX 0.218097 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.191 MB LDB: ============== END OF LOAD BALANCING =============== 9386.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9386.8 PRESSURE: 2968400 99.5778 85.8826 96.7929 85.8811 43.3147 -52.3746 96.7921 -52.3748 -401.901 GPRESSURE: 2968400 96.0473 181.039 70.1682 68.5031 166.165 -83.4989 192.175 -83.4387 -432.321 PRESSAVG: 2968400 77.3265 26.1205 -18.8914 26.1205 -14.7437 9.91431 -18.8914 9.91429 -14.5176 GPRESSAVG: 2968400 77.6632 25.9251 -19.9243 25.1419 -16.2355 10.7018 -19.6059 12.1592 -13.6007 TIMING: 2968400 CPU: 9374.58, 0.00323863/step Wall: 9374.58, 0.00323863/step, 1.82767 hours remaining, 237.242188 MB of memory in use. ENERGY: 2968400 3942.3578 20471.1741 14506.3751 238.1478 -203089.6137 2479.3697 0.0000 0.0000 52042.4971 -109409.6920 299.0889 -161452.1891 -109050.8478 299.5401 -86.3363 -56.7031 763204.3183 16.0217 15.9423 PRESSURE: 2968600 -41.1716 -100.532 -50.2581 -100.532 406.994 -23.9883 -50.2569 -23.9875 -60.01 GPRESSURE: 2968600 10.3694 -61.8986 -37.5205 -57.8299 371.785 39.5113 -111.73 -174.865 13.0435 PRESSAVG: 2968600 -18.658 18.593 -21.6034 18.593 -29.9298 49.6589 -21.6033 49.6588 19.8001 GPRESSAVG: 2968600 -19.0958 19.5001 -20.6391 18.6316 -28.6742 50.0561 -22.4691 47.43 19.1295 TIMING: 2968600 CPU: 9375.21, 0.00315963/step Wall: 9375.21, 0.00315963/step, 1.78291 hours remaining, 237.308594 MB of memory in use. ENERGY: 2968600 4044.9313 20383.3580 14420.2968 247.2722 -203417.4218 2802.1235 0.0000 0.0000 52183.7135 -109335.7265 299.9005 -161519.4400 -108977.8996 299.2873 101.9374 131.7327 762671.6204 -9.5959 -9.5468 PRESSURE: 2968800 -303.911 -234.26 100.97 -234.26 -164.937 31.9659 100.97 31.9659 -377.262 GPRESSURE: 2968800 -221.303 -244.88 54.5588 -187.881 -210.177 -10.1464 28.7528 -27.3598 -341.578 PRESSAVG: 2968800 -16.9944 11.8555 25.2466 11.8555 11.4953 -30.799 25.2466 -30.799 -11.5255 GPRESSAVG: 2968800 -17.4744 11.4235 26.1572 11.4585 11.9137 -31.3667 24.4199 -30.7015 -12.311 TIMING: 2968800 CPU: 9375.84, 0.00316043/step Wall: 9375.84, 0.00316043/step, 1.78319 hours remaining, 237.308594 MB of memory in use. ENERGY: 2968800 4041.3360 20613.5428 14322.1802 255.0729 -203048.1267 2489.2794 0.0000 0.0000 51921.0771 -109405.6383 298.3911 -161326.7154 -109049.1266 299.1637 -282.0367 -257.6857 764655.2497 -5.6749 -5.9572 PRESSURE: 2969000 77.4964 100.62 -97.2272 100.621 116.528 -22.8399 -97.2273 -22.8394 103.569 GPRESSURE: 2969000 159.914 157.997 -206.166 185.752 120.972 6.578 2.47412 -18.3847 85.8345 PRESSAVG: 2969000 21.3193 1.76946 -36.2136 1.76945 6.3212 -45.8771 -36.2136 -45.8771 23.0889 GPRESSAVG: 2969000 21.1401 3.34019 -37.1155 0.35637 6.67699 -48.3586 -36.7185 -45.8201 22.6215 TIMING: 2969000 CPU: 9376.47, 0.00316045/step Wall: 9376.47, 0.00316045/step, 1.78302 hours remaining, 237.308594 MB of memory in use. ENERGY: 2969000 3978.8267 20511.0432 14398.7694 227.5270 -203226.3899 2655.7011 0.0000 0.0000 51990.0715 -109464.4508 298.7877 -161454.5223 -109098.9755 298.8843 99.1979 122.2400 761355.1852 16.9098 16.8129 PRESSURE: 2969200 -37.3613 -106.12 -176.11 -106.121 -360.046 -57.2106 -176.11 -57.2103 250.193 GPRESSURE: 2969200 -41.6843 -55.3798 -211.524 -197.754 -247.8 -40.9848 -184.275 -75.4999 233.188 PRESSAVG: 2969200 -15.9245 8.26033 -35.2925 8.26033 7.9979 -12.315 -35.2924 -12.315 8.00858 GPRESSAVG: 2969200 -15.1488 7.64346 -33.8453 8.83117 8.07732 -9.48053 -34.9238 -13.5618 7.49203 TIMING: 2969200 CPU: 9377.1, 0.00314991/step Wall: 9377.1, 0.00314991/step, 1.7769 hours remaining, 237.308594 MB of memory in use. ENERGY: 2969200 3957.9184 20570.6093 14377.0326 244.2227 -203293.5018 2640.0304 0.0000 0.0000 52035.0678 -109468.6206 299.0462 -161503.6884 -109106.4187 298.9029 -49.0715 -18.7655 761412.6987 0.0273 0.1402 PRESSURE: 2969400 -16.8624 65.1886 -60.6853 65.1887 38.1895 -6.81873 -60.6854 -6.81874 -117.115 GPRESSURE: 2969400 15.031 -7.38549 -52.2233 181.848 122.486 7.25284 -50.4475 6.38294 -138.865 PRESSAVG: 2969400 0.840187 17.3194 -16.0974 17.3194 33.5076 8.16995 -16.0975 8.16996 2.264 GPRESSAVG: 2969400 0.676704 16.2214 -16.5172 18.7984 33.7156 6.0926 -16.2093 11.233 2.83859 TIMING: 2969400 CPU: 9377.73, 0.00315127/step Wall: 9377.73, 0.00315126/step, 1.77749 hours remaining, 237.308594 MB of memory in use. ENERGY: 2969400 3966.2870 20440.6445 14450.2882 253.8588 -203254.8307 2764.2187 0.0000 0.0000 51950.5048 -109429.0289 298.5603 -161379.5336 -109058.9312 299.4192 -31.9293 -0.4493 761764.6667 12.2039 12.4103 PRESSURE: 2969600 -199.23 36.2465 68.2826 36.2479 310.88 106.889 68.2841 106.889 323.906 GPRESSURE: 2969600 -188.113 5.23991 42.6379 36.926 371.943 147.282 9.19658 127.19 324.213 PRESSAVG: 2969600 -68.597 4.6065 17.1735 4.60652 48.7624 61.1305 17.1735 61.1305 -11.6835 GPRESSAVG: 2969600 -68.7561 7.70013 15.354 3.04102 47.5881 60.6427 16.566 61.3584 -10.3937 TIMING: 2969600 CPU: 9378.36, 0.00314582/step Wall: 9378.36, 0.00314583/step, 1.77425 hours remaining, 237.308594 MB of memory in use. ENERGY: 2969600 3981.8284 20665.7052 14452.2298 233.7419 -203337.5401 2527.5958 0.0000 0.0000 52135.9038 -109340.5354 299.6258 -161476.4392 -108977.2558 299.2439 145.1855 169.3479 762302.5336 -10.5060 -10.5206 PRESSURE: 2969800 -232.966 151.188 352.133 151.187 -101.958 210.776 352.133 210.776 33.5647 GPRESSURE: 2969800 -113.913 135.306 246.603 155.896 -92.2371 158.631 218.615 27.9411 -16.1027 PRESSAVG: 2969800 -29.7112 6.86436 20.7666 6.86441 26.0677 79.0086 20.7666 79.0085 3.50454 GPRESSAVG: 2969800 -29.8238 6.3647 19.9363 8.21552 27.5546 79.9272 21.5082 77.049 2.39785 TIMING: 2969800 CPU: 9378.99, 0.00315181/step Wall: 9378.99, 0.00315181/step, 1.77744 hours remaining, 237.308594 MB of memory in use. ENERGY: 2969800 3987.7734 20535.2235 14476.8225 229.9237 -203085.5716 2203.2362 0.0000 0.0000 52027.4241 -109625.1681 299.0023 -161652.5922 -109264.1838 299.1195 -100.4531 -74.0845 761256.9245 -0.0463 0.0429 PRESSURE: 2970000 4.61333 -82.3084 35.2293 -82.3082 -375.922 -155.997 35.2281 -155.998 -215.798 GPRESSURE: 2970000 -78.5883 -33.7868 10.7245 -148.71 -221.244 -95.123 8.93184 -6.79643 -183.446 PRESSAVG: 2970000 -0.00998898 7.21861 4.56461 7.21864 19.1956 -16.3977 4.56458 -16.3977 2.47818 GPRESSAVG: 2970000 0.815624 6.03929 5.71861 7.38043 17.3183 -15.8712 4.13048 -16.0208 3.55915 TIMING: 2970000 CPU: 9379.63, 0.00315829/step Wall: 9379.63, 0.00315829/step, 1.78093 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: 2970000 4061.0520 20405.5426 14469.2416 246.9912 -203591.5003 2728.0209 0.0000 0.0000 52184.4762 -109496.1759 299.9049 -161680.6520 -109131.0324 298.6774 -195.7023 -161.0927 760470.5889 7.2213 7.2310 PRESSURE: 2970200 -254.023 -82.2499 31.914 -82.2499 -348.374 -56.5653 31.9145 -56.5652 -79.4217 GPRESSURE: 2970200 -245.126 -46.0124 55.0947 -41.8247 -289.028 -58.4206 -4.18354 -64.9589 -61.7379 PRESSAVG: 2970200 43.6291 -42.8173 -49.4434 -42.8173 -41.69 14.7058 -49.4434 14.7058 -1.62601 GPRESSAVG: 2970200 42.8416 -42.9249 -48.3122 -42.8814 -40.4534 14.5747 -48.9503 14.0975 -1.89035 TIMING: 2970200 CPU: 9380.26, 0.00314706/step Wall: 9380.26, 0.00314706/step, 1.77442 hours remaining, 237.308594 MB of memory in use. ENERGY: 2970200 3976.9603 20574.9556 14481.3592 246.4045 -203243.7746 2536.3388 0.0000 0.0000 52234.0198 -109193.7364 300.1896 -161427.7562 -108839.2123 299.5570 -227.2730 -198.6307 761875.0148 0.1044 0.1659 PRESSURE: 2970400 -121.549 70.4355 25.7702 70.4353 44.182 -29.3213 25.7698 -29.3216 270.333 GPRESSURE: 2970400 -100.888 -77.8333 130.597 -36.6592 41.9167 -146.733 -45.0814 30.1629 320.659 PRESSAVG: 2970400 -7.39065 -36.6703 19.6317 -36.6704 -1.34734 44.5641 19.6317 44.5642 13.5954 GPRESSAVG: 2970400 -7.54928 -35.1323 18.263 -38.4286 -2.73676 43.1482 19.4245 46.4706 14.8115 TIMING: 2970400 CPU: 9380.89, 0.00316082/step Wall: 9380.89, 0.00316082/step, 1.782 hours remaining, 237.308594 MB of memory in use. ENERGY: 2970400 3986.3731 20536.9906 14417.9910 256.5259 -202916.6360 2501.3602 0.0000 0.0000 52024.0820 -109193.3132 298.9831 -161217.3952 -108830.5147 299.5032 64.3219 87.2293 762651.6982 1.6192 1.5085 PRESSURE: 2970600 -69.614 -28.5209 74.9247 -28.5213 69.1223 125.163 74.925 125.162 138.413 GPRESSURE: 2970600 -4.6294 -50.6014 150.946 17.5313 121.407 215.295 119.531 190.807 95.3 PRESSAVG: 2970600 56.8913 -48.8131 48.9459 -48.8132 -18.9783 68.5183 48.9458 68.5183 -1.30947 GPRESSAVG: 2970600 57.4197 -50.3362 49.9789 -48.5658 -17.7136 70.2305 50.9802 67.4322 -2.60888 TIMING: 2970600 CPU: 9381.52, 0.0031579/step Wall: 9381.52, 0.0031579/step, 1.78018 hours remaining, 237.308594 MB of memory in use. ENERGY: 2970600 3932.3848 20709.0139 14430.6701 258.7821 -203509.8457 2737.0858 0.0000 0.0000 52011.7562 -109430.1528 298.9123 -161441.9090 -109062.0870 299.8935 45.9738 70.6927 762215.5952 12.2012 12.3658 PRESSURE: 2970800 228.013 -269.516 89.0128 -269.516 230.621 5.95871 89.0125 5.95928 528.794 GPRESSURE: 2970800 337.51 -242.416 102.271 -248.761 201.027 24.3739 132.488 -122.214 532.709 PRESSAVG: 2970800 15.4559 -27.9691 37.015 -27.9692 12.6735 51.2326 37.015 51.2327 -7.29438 GPRESSAVG: 2970800 15.7475 -25.8445 35.9781 -26.9482 10.4664 52.6174 35.5558 49.9607 -6.158 TIMING: 2970800 CPU: 9382.15, 0.00316648/step Wall: 9382.15, 0.00316648/step, 1.78484 hours remaining, 237.308594 MB of memory in use. ENERGY: 2970800 3951.2345 20447.1488 14478.8411 249.9598 -203717.6907 2835.5774 0.0000 0.0000 52105.4446 -109649.4845 299.4507 -161754.9291 -109289.0674 299.0711 329.1429 357.0819 760598.7134 6.9450 6.6853 PRESSURE: 2971000 -67.3797 -132.189 -59.6163 -132.189 8.48628 -234.568 -59.6157 -234.569 222.958 GPRESSURE: 2971000 -36.3454 -211.174 -108.87 -116.825 62.7624 -243.469 -4.32274 -322.748 235.302 PRESSAVG: 2971000 -13.9694 -75.2837 19.6425 -75.2836 65.6313 36.6814 19.6425 36.6814 3.28273 GPRESSAVG: 2971000 -12.8583 -77.6413 20.399 -75.1165 65.525 35.3851 21.4815 36.7527 2.40509 TIMING: 2971000 CPU: 9382.78, 0.00315893/step Wall: 9382.78, 0.00315893/step, 1.78041 hours remaining, 237.308594 MB of memory in use. ENERGY: 2971000 4015.0753 20344.7372 14489.3555 276.9957 -203137.0142 2586.3228 0.0000 0.0000 51793.1012 -109631.4265 297.6557 -161424.5277 -109275.8564 298.3496 54.6881 87.2397 761733.7949 18.3149 18.3573 PRESSURE: 2971200 433.108 178.243 -77.5547 178.241 -227.687 114.572 -77.5554 114.572 117.783 GPRESSURE: 2971200 378.452 197.72 -106.695 164.501 -96.9554 159.778 -161.527 4.68072 115.396 PRESSAVG: 2971200 0.101294 -15.3241 -0.407123 -15.3241 -24.6781 -3.38929 -0.407058 -3.38931 -4.72492 GPRESSAVG: 2971200 -1.49785 -15.2874 -0.782098 -15.4697 -23.481 -3.7532 -4.29688 -0.797896 -4.77216 TIMING: 2971200 CPU: 9383.42, 0.00316728/step Wall: 9383.42, 0.00316728/step, 1.78494 hours remaining, 237.308594 MB of memory in use. ENERGY: 2971200 3896.3313 20359.7456 14412.6793 257.9023 -202969.9005 2475.5497 0.0000 0.0000 52017.2366 -109550.4557 298.9438 -161567.6923 -109188.6012 298.3531 107.7348 132.2977 763032.5799 -9.7673 -9.9170 PRESSURE: 2971400 -174.553 -17.7984 3.65941 -17.7991 -188.22 -101.932 3.65988 -101.932 -512.921 GPRESSURE: 2971400 -183.29 81.3662 14.6038 -76.8311 -161.465 -261.226 -78.8522 21.3969 -461.143 PRESSAVG: 2971400 48.5258 -29.7934 -12.7567 -29.7934 -60.3704 8.40772 -12.7567 8.40778 14.0005 GPRESSAVG: 2971400 48.8275 -26.4973 -12.4495 -32.0273 -60.3695 7.79681 -9.93152 7.3905 13.9419 TIMING: 2971400 CPU: 9384.05, 0.00315247/step Wall: 9384.05, 0.00315247/step, 1.77642 hours remaining, 237.308594 MB of memory in use. ENERGY: 2971400 3978.0300 20417.4447 14437.6994 242.8664 -202910.0911 2328.7694 0.0000 0.0000 51933.4644 -109571.8167 298.4623 -161505.2811 -109207.7004 298.6377 -291.8982 -268.6327 763472.0310 0.7187 0.8000 PRESSURE: 2971600 304.095 -157.564 80.3767 -157.564 -82.8318 14.3455 80.3773 14.3448 -207.805 GPRESSURE: 2971600 340.609 -102.949 103.571 -115.097 -129.624 43.0374 -52.7718 130.571 -117.288 PRESSAVG: 2971600 10.1754 -30.9128 1.59051 -30.9128 -8.89139 34.2268 1.59053 34.2268 -14.8148 GPRESSAVG: 2971600 11.2141 -31.6121 2.18584 -29.6024 -9.8342 35.3801 -0.000938136 33.6656 -15.1287 TIMING: 2971600 CPU: 9384.68, 0.00316495/step Wall: 9384.68, 0.00316495/step, 1.78327 hours remaining, 237.308594 MB of memory in use. ENERGY: 2971600 3862.7924 20410.5587 14441.1617 233.4825 -202817.1637 2388.3677 0.0000 0.0000 51995.1597 -109485.6410 298.8169 -161480.8007 -109112.1360 298.7343 4.4861 31.2324 763290.1023 -4.5102 -4.5829 PRESSURE: 2971800 112.575 56.6621 50.8289 56.6612 55.3046 -99.9156 50.8289 -99.9158 -87.7155 GPRESSURE: 2971800 173.391 77.1459 46.3073 48.4692 37.515 -132.016 39.6136 -152.492 -57.0448 PRESSAVG: 2971800 31.5284 -24.5067 0.113583 -24.5068 -52.9779 19.0258 0.113559 19.0258 -5.64871 GPRESSAVG: 2971800 29.604 -26.177 0.834103 -22.9715 -52.3026 18.5693 -0.616547 19.2529 -4.76131 TIMING: 2971800 CPU: 9385.31, 0.00316149/step Wall: 9385.31, 0.00316148/step, 1.78115 hours remaining, 237.308594 MB of memory in use. ENERGY: 2971800 3910.4706 20655.5093 14455.0750 268.4753 -203225.0777 2623.1708 0.0000 0.0000 51842.2492 -109470.1274 297.9381 -161312.3766 -109104.5375 299.1399 26.7214 51.2870 761560.4107 -9.0327 -9.1533 PRESSURE: 2972000 231.222 97.2298 -265.237 97.2297 -64.7326 -62.857 -265.238 -62.8563 -182.782 GPRESSURE: 2972000 264.148 84.1359 -319.226 148.783 -39.2715 -91.2913 -112.502 -33.0283 -170.532 PRESSAVG: 2972000 21.5932 71.1674 -27.8328 71.1674 -11.2657 -19.7404 -27.8328 -19.7405 18.5791 GPRESSAVG: 2972000 22.9377 72.9147 -26.6203 68.5587 -12.7972 -21.3057 -28.2819 -18.5798 18.6946 TIMING: 2972000 CPU: 9385.95, 0.00316563/step Wall: 9385.95, 0.00316563/step, 1.7833 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: 2972000 3990.8399 20563.3770 14382.5346 232.3871 -203590.4499 2826.0262 0.0000 0.0000 52218.4772 -109376.8080 300.1003 -161595.2851 -109011.9160 299.0815 -5.4308 18.1150 763010.5366 9.6355 9.6117 PRESSURE: 2972200 -66.7183 5.86983 285.01 5.87018 -43.6234 -97.8799 285.01 -97.8795 193.259 GPRESSURE: 2972200 -64.1509 127.658 336.054 0.253853 27.1414 -76.6201 176.556 -88.1252 198.365 PRESSAVG: 2972200 43.81 17.3755 23.3694 17.3755 -15.4068 29.6588 23.3694 29.6587 -11.7066 GPRESSAVG: 2972200 44.1178 15.3129 21.485 20.6876 -14.7318 31.8906 22.4955 27.2782 -12.1815 TIMING: 2972200 CPU: 9386.59, 0.00320258/step Wall: 9386.59, 0.00320258/step, 1.80394 hours remaining, 237.308594 MB of memory in use. ENERGY: 2972200 3935.9388 20504.4166 14424.6944 252.1070 -203101.0846 2614.3521 0.0000 0.0000 51996.0461 -109373.5295 298.8220 -161369.5756 -109014.9131 299.9923 27.6392 53.7852 763096.9593 5.5655 5.7348 LDB: ============= START OF LOAD BALANCING ============== 9399.12 LDB: ============== END OF LOAD BALANCING =============== 9399.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9399.12 LDB: ============= START OF LOAD BALANCING ============== 9399.44 LDB: Largest compute 7075 load 0.033146 is 16.9% of average load 0.195565 LDB: Average compute 0.004396 is 2.2% of average load 0.195565 LDB: TIME 9399.44 LOAD: AVG 0.195565 MAX 0.212953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.305 MB LDB: TIME 9399.44 LOAD: AVG 0.195565 MAX 0.212953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: TIME 9399.44 LOAD: AVG 0.195565 MAX 0.212953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: ============== END OF LOAD BALANCING =============== 9399.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9399.45 PRESSURE: 2972400 263.756 194.736 68.8345 194.736 -143.173 -52.8107 68.8342 -52.8105 221.029 GPRESSURE: 2972400 263.595 171.787 43.5179 145.78 -79.6442 -14.6376 3.3904 86.1159 234.102 PRESSAVG: 2972400 10.4085 41.5973 25.6452 41.5973 -21.5815 20.9864 25.6452 20.9864 -29.9238 GPRESSAVG: 2972400 9.66853 43.7805 25.4341 38.6204 -20.8209 19.0454 26.8367 22.2923 -29.8216 TIMING: 2972400 CPU: 9387.23, 0.003235/step Wall: 9387.23, 0.003235/step, 1.82202 hours remaining, 236.789062 MB of memory in use. ENERGY: 2972400 3984.8892 20476.8886 14526.2032 248.5633 -203398.7209 2747.9417 0.0000 0.0000 51948.0003 -109466.2346 298.5459 -161414.2349 -109113.5342 299.5588 113.8709 139.3510 761519.5092 -13.6989 -13.6580 PRESSURE: 2972600 -189.513 51.5293 68.0748 51.5286 -116.583 -52.6363 68.0742 -52.6356 192.727 GPRESSURE: 2972600 -22.0718 34.5738 50.4562 61.1618 -114.368 -86.7355 67.2618 -5.16064 118.414 PRESSAVG: 2972600 -4.69478 -15.0914 16.4299 -15.0914 -7.4318 9.38697 16.4299 9.38704 -10.4145 GPRESSAVG: 2972600 -3.83277 -16.1198 17.1163 -12.7556 -8.17358 8.83834 16.6082 9.11451 -10.6684 TIMING: 2972600 CPU: 9387.87, 0.00318906/step Wall: 9387.87, 0.00318906/step, 1.79597 hours remaining, 236.992188 MB of memory in use. ENERGY: 2972600 3921.9536 20464.8391 14459.7230 229.5497 -203309.6499 2572.8670 0.0000 0.0000 52095.8785 -109564.8390 299.3957 -161660.7175 -109201.8828 299.2207 -37.7897 -6.0084 762241.7100 -7.5137 -7.5582 PRESSURE: 2972800 -344.883 66.3517 126.761 66.3513 -177.491 25.2931 126.762 25.2933 -432.751 GPRESSURE: 2972800 -274.079 25.1924 129.543 42.6556 -220.538 -39.7016 150.833 -14.0638 -392.322 PRESSAVG: 2972800 17.8629 17.514 26.0614 17.514 7.10778 53.0829 26.0615 53.0829 11.2025 GPRESSAVG: 2972800 17.4204 18.4417 24.5792 18.3837 7.886 54.8984 24.3692 53.3415 10.6339 TIMING: 2972800 CPU: 9388.5, 0.00315647/step Wall: 9388.5, 0.00315647/step, 1.77744 hours remaining, 236.992188 MB of memory in use. ENERGY: 2972800 3954.3843 20449.4318 14437.3373 251.6805 -202848.6235 2223.2261 0.0000 0.0000 51926.2070 -109606.3564 298.4206 -161532.5634 -109238.7956 298.7967 -318.3749 -295.6466 763226.4016 12.0577 11.9801 PRESSURE: 2973000 -99.4956 -218.592 -12.0175 -218.592 517.185 162.404 -12.0176 162.404 -48.8165 GPRESSURE: 2973000 -81.6847 -130.602 4.47734 -138.906 517.705 211.397 91.9545 44.4048 22.8695 PRESSAVG: 2973000 63.7862 -4.81558 -10.7368 -4.8156 9.0687 30.0978 -10.7368 30.0978 -0.340145 GPRESSAVG: 2973000 63.955 -3.95995 -10.577 -7.88242 8.44152 30.7528 -8.90032 28.5593 0.754509 TIMING: 2973000 CPU: 9389.13, 0.00315711/step Wall: 9389.13, 0.00315711/step, 1.77763 hours remaining, 236.992188 MB of memory in use. ENERGY: 2973000 3909.8532 20450.9145 14422.0164 242.6986 -203115.2128 2359.2789 0.0000 0.0000 52325.8388 -109404.6125 300.7173 -161730.4512 -109035.5103 299.1196 122.9577 152.9634 761187.9361 24.1716 24.3837 PRESSURE: 2973200 -118.763 -77.4563 76.7572 -77.4565 -342.783 50.768 76.7572 50.7687 139.435 GPRESSURE: 2973200 -121.861 -93.5056 26.6435 -82.6288 -163.583 48.137 91.5075 53.7996 71.2299 PRESSAVG: 2973200 0.799834 -27.5022 12.9238 -27.5022 -18.7737 41.5945 12.9239 41.5945 1.64409 GPRESSAVG: 2973200 0.151389 -29.4703 15.4096 -26.549 -18.4724 40.4829 13.3413 41.0179 1.72721 TIMING: 2973200 CPU: 9389.77, 0.00317243/step Wall: 9389.77, 0.00317244/step, 1.78608 hours remaining, 236.992188 MB of memory in use. ENERGY: 2973200 3945.7366 20465.5599 14381.7572 244.8114 -202794.5595 2342.5001 0.0000 0.0000 52017.4578 -109396.7365 298.9450 -161414.1943 -109030.8069 299.9958 -107.3704 -71.4045 763268.4346 -5.4433 -5.5313 PRESSURE: 2973400 103.43 -75.3564 -221.586 -75.3565 -56.2717 -243.846 -221.586 -243.846 375.344 GPRESSURE: 2973400 145.728 -29.4457 -158.772 76.0902 11.8779 -170.813 -122.094 -226.731 339.088 PRESSAVG: 2973400 10.2217 -3.35657 41.8702 -3.35656 -19.8318 8.81087 41.8703 8.8109 3.81775 GPRESSAVG: 2973400 8.94305 -4.61977 39.1124 -0.314126 -17.6846 7.75303 42.7267 12.6904 2.89653 TIMING: 2973400 CPU: 9390.4, 0.00317192/step Wall: 9390.4, 0.00317192/step, 1.78562 hours remaining, 236.992188 MB of memory in use. ENERGY: 2973400 3994.9038 20601.8571 14378.5809 252.8491 -203305.4418 2794.2425 0.0000 0.0000 52095.0994 -109187.9090 299.3913 -161283.0084 -108826.2806 299.4826 140.8342 165.5645 761128.2242 -1.9308 -1.9484 PRESSURE: 2973600 179.234 -60.5396 -21.5211 -60.5393 -62.0811 268.316 -21.5209 268.316 263.688 GPRESSURE: 2973600 213.165 -56.2742 46.2877 -47.3917 -36.7122 283.716 -0.5763 165.429 285.429 PRESSAVG: 2973600 7.41041 4.30668 -36.3514 4.30666 -29.3771 15.1568 -36.3515 15.1568 -10.3171 GPRESSAVG: 2973600 9.31166 7.09285 -34.4233 2.2757 -30.8713 16.6714 -37.3111 11.4349 -10.8725 TIMING: 2973600 CPU: 9391.04, 0.00317177/step Wall: 9391.04, 0.00317177/step, 1.78535 hours remaining, 236.992188 MB of memory in use. ENERGY: 2973600 3997.2947 20562.7314 14451.0311 242.1149 -203036.2954 2510.0720 0.0000 0.0000 52036.3540 -109236.6974 299.0536 -161273.0514 -108874.5080 299.6109 126.9472 153.9603 761498.6687 -10.7612 -10.8107 PRESSURE: 2973800 27.2853 48.2389 227.267 48.2395 118.108 -86.9706 227.267 -86.9701 -195.271 GPRESSURE: 2973800 -52.3226 9.42993 181.962 -4.21769 149.921 -37.4438 169.886 -80.263 -84.7593 PRESSAVG: 2973800 -40.9957 -5.16571 -3.90447 -5.16556 2.6471 1.19319 -3.9045 1.19324 -6.65502 GPRESSAVG: 2973800 -42.4633 -6.27364 -4.53776 -3.24942 3.73574 2.67727 -4.48418 1.56817 -6.08275 TIMING: 2973800 CPU: 9391.67, 0.00316662/step Wall: 9391.67, 0.00316662/step, 1.78228 hours remaining, 236.992188 MB of memory in use. ENERGY: 2973800 3973.5889 20429.8949 14356.3367 241.4075 -203099.4638 2423.4752 0.0000 0.0000 52241.6315 -109433.1292 300.2334 -161674.7607 -109067.0449 299.7740 -16.6257 4.2797 762962.0641 -15.0012 -14.9368 PRESSURE: 2974000 186.363 55.1953 39.0024 55.1952 240.032 205.293 39.0012 205.292 -390.638 GPRESSURE: 2974000 240.28 -16.1459 87.876 -0.179027 224.973 128.594 36.5736 212.259 -353.665 PRESSAVG: 2974000 -2.08357 -49.7153 2.37237 -49.7154 -18.7002 -19.1857 2.37228 -19.1856 -15.1205 GPRESSAVG: 2974000 -2.06321 -49.9625 3.64027 -52.2935 -19.1947 -19.723 1.7399 -20.2978 -15.014 TIMING: 2974000 CPU: 9392.31, 0.0031874/step Wall: 9392.31, 0.0031874/step, 1.7938 hours remaining, 236.992188 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: 2974000 3986.0868 20457.1390 14426.3680 235.4094 -202950.7266 2492.3368 0.0000 0.0000 52037.9897 -109315.3969 299.0630 -161353.3866 -108958.4754 299.6152 11.9189 37.1959 763133.2382 -11.9681 -12.0907 PRESSURE: 2974200 175.674 -189.028 250.096 -189.028 -433.847 81.6788 250.096 81.6784 -291.01 GPRESSURE: 2974200 164.779 -37.7785 160.604 -252.759 -359.442 112.818 302.428 40.5778 -263.197 PRESSAVG: 2974200 17.6977 7.49272 -0.606672 7.49273 -63.3593 10.7068 -0.606672 10.7068 -20.4381 GPRESSAVG: 2974200 18.2468 5.8365 -3.67303 8.74241 -63.34 10.9023 3.24647 12.7356 -21.2026 TIMING: 2974200 CPU: 9392.95, 0.00319242/step Wall: 9392.95, 0.00319242/step, 1.79645 hours remaining, 236.992188 MB of memory in use. ENERGY: 2974200 4024.4893 20475.5863 14437.3101 244.6381 -203088.9480 2618.8059 0.0000 0.0000 51929.1337 -109358.9846 298.4374 -161288.1183 -109004.0215 299.0578 -183.0610 -152.6202 763203.2452 -22.0333 -22.0986 PRESSURE: 2974400 475.305 -153.401 342.899 -153.401 39.4535 87.411 342.9 87.4113 -120.096 GPRESSURE: 2974400 504.357 -170.403 324.925 78.5168 67.3052 82.6113 153.938 130.394 -85.5322 PRESSAVG: 2974400 19.0381 -45.15 20.5355 -45.1501 -8.326 -2.38429 20.5355 -2.38435 5.71847 GPRESSAVG: 2974400 19.0074 -43.4097 23.1128 -45.6941 -9.07927 -2.50222 17.7845 -3.31603 6.38004 TIMING: 2974400 CPU: 9393.58, 0.00316251/step Wall: 9393.58, 0.00316251/step, 1.77944 hours remaining, 236.992188 MB of memory in use. ENERGY: 2974400 3982.5376 20356.9552 14482.3805 246.0446 -203216.0447 2731.4900 0.0000 0.0000 52050.8235 -109365.8133 299.1368 -161416.6367 -109009.3685 299.4506 131.5541 162.0432 762466.7582 5.4769 5.4360 PRESSURE: 2974600 332.609 21.4181 194.398 21.4176 -163.386 -192.538 194.398 -192.536 -576.952 GPRESSURE: 2974600 402.773 63.2242 184.381 -51.5939 -231.16 -191.794 129.08 -111.292 -499.853 PRESSAVG: 2974600 19.8764 -27.1071 32.3528 -27.1071 -29.6791 13.4709 32.3528 13.4708 30.0997 GPRESSAVG: 2974600 21.4873 -26.7737 30.5942 -28.1915 -29.8499 12.3532 30.7335 14.1559 28.5216 TIMING: 2974600 CPU: 9394.21, 0.0031565/step Wall: 9394.21, 0.00315649/step, 1.77588 hours remaining, 236.992188 MB of memory in use. ENERGY: 2974600 4065.1263 20491.6911 14406.8626 242.8570 -203049.0458 2555.3995 0.0000 0.0000 51993.7811 -109293.3283 298.8090 -161287.1094 -108926.6292 300.4302 -135.9093 -109.4134 762855.5186 6.7657 6.7197 PRESSURE: 2974800 -40.5582 -105.771 -119.189 -105.771 123.445 -12.1332 -119.19 -12.1329 235.989 GPRESSURE: 2974800 43.5157 -41.5345 -181.972 -81.1182 129.942 11.3561 -89.7578 36.791 225.544 PRESSAVG: 2974800 74.9059 27.6831 41.3241 27.683 -62.9401 29.5102 41.3241 29.5103 -4.30049 GPRESSAVG: 2974800 74.27 29.3085 42.3657 28.1564 -62.6201 30.3864 43.6001 28.2833 -3.4096 TIMING: 2974800 CPU: 9394.84, 0.00315793/step Wall: 9394.84, 0.00315793/step, 1.77651 hours remaining, 236.992188 MB of memory in use. ENERGY: 2974800 3988.4710 20450.6020 14495.8413 240.8968 -203522.7380 3010.8895 0.0000 0.0000 51899.9313 -109436.1061 298.2696 -161336.0374 -109090.5114 299.3208 106.2919 133.0006 762956.1437 2.5551 2.7468 PRESSURE: 2975000 367.469 -60.6676 -183.378 -60.6683 -30.7432 -220.48 -183.378 -220.479 161.577 GPRESSURE: 2975000 359.391 -166.817 -182.746 -1.60313 72.971 -198.102 -145.63 -146.95 156.333 PRESSAVG: 2975000 21.578 0.263055 6.75937 0.263143 -5.67247 1.52415 6.75939 1.5241 -8.52318 GPRESSAVG: 2975000 20.8304 -2.12604 5.93543 0.932357 -6.06077 1.35006 6.47357 2.71494 -8.13743 TIMING: 2975000 CPU: 9395.47, 0.00315699/step Wall: 9395.47, 0.00315699/step, 1.7758 hours remaining, 236.992188 MB of memory in use. ENERGY: 2975000 3998.8894 20447.4943 14435.6195 239.7693 -203840.3707 2870.7050 0.0000 0.0000 52271.3331 -109576.5600 300.4041 -161847.8931 -109217.6055 299.5303 166.1010 196.2315 760918.7256 2.4608 2.2107 PRESSURE: 2975200 -276.392 19.3434 49.9938 19.3434 -352.939 44.1439 49.994 44.1432 -73.4063 GPRESSURE: 2975200 -165.277 -1.58276 40.8294 -16.3921 -357.639 112.504 54.5634 -64.561 -84.9096 PRESSAVG: 2975200 17.7013 -5.86677 -7.33822 -5.86676 -26.3054 21.3139 -7.33823 21.314 42.7192 GPRESSAVG: 2975200 17.9865 -5.85361 -6.427 -6.18377 -26.4606 20.0965 -8.24697 21.827 42.2929 TIMING: 2975200 CPU: 9396.11, 0.00318296/step Wall: 9396.11, 0.00318296/step, 1.79024 hours remaining, 236.992188 MB of memory in use. ENERGY: 2975200 3961.0020 20394.4331 14523.1516 251.9970 -203175.0670 2577.1210 0.0000 0.0000 51873.6810 -109593.6813 298.1188 -161467.3623 -109227.1840 299.2032 -234.2457 -202.6087 761826.7163 11.3717 11.2729 PRESSURE: 2975400 -185.798 73.8897 -178.638 73.8885 92.4353 -157.294 -178.637 -157.293 -330.931 GPRESSURE: 2975400 -104.319 168.587 -123.464 221.799 125.305 -202.945 -238.907 -50.1013 -354.148 PRESSAVG: 2975400 51.3893 -37.5056 -3.32872 -37.5055 -24.7677 -1.82616 -3.3287 -1.82622 -13.1079 GPRESSAVG: 2975400 52.6061 -35.7644 -3.06636 -37.596 -25.9711 -0.277435 -4.41897 -2.68804 -13.0173 TIMING: 2975400 CPU: 9396.75, 0.0031734/step Wall: 9396.75, 0.0031734/step, 1.78469 hours remaining, 236.992188 MB of memory in use. ENERGY: 2975400 3925.4769 20374.6747 14484.6278 237.1751 -202732.5492 2223.0066 0.0000 0.0000 51968.8376 -109518.7504 298.6656 -161487.5880 -109154.6887 298.5265 -141.4313 -111.0537 762628.3054 4.5046 4.5393 PRESSURE: 2975600 154.708 157.438 -130.413 157.438 -48.9932 46.0213 -130.412 46.0217 38.9199 GPRESSURE: 2975600 159.461 130.477 -186.126 155.964 -18.8166 -7.54331 -101.08 57.7077 94.1545 PRESSAVG: 2975600 21.2242 -6.83033 -3.51053 -6.83031 -13.3053 -9.35386 -3.51054 -9.35389 4.58376 GPRESSAVG: 2975600 19.344 -8.12588 -4.54484 -6.94575 -11.5102 -8.67737 -1.74137 -8.28092 4.30945 TIMING: 2975600 CPU: 9397.38, 0.00317612/step Wall: 9397.38, 0.00317612/step, 1.78604 hours remaining, 236.992188 MB of memory in use. ENERGY: 2975600 3933.2436 20306.5375 14401.0762 238.9457 -203466.8486 2909.2727 0.0000 0.0000 52144.0414 -109533.7314 299.6725 -161677.7729 -109166.0703 298.6766 48.2115 78.2662 763222.5386 4.1676 4.0478 PRESSURE: 2975800 -317.858 -160.518 133.84 -160.518 -23.5852 162.012 133.84 162.012 356.73 GPRESSURE: 2975800 -314.181 -125.818 95.9963 -188.517 -32.2052 191.451 50.6239 20.9273 434.605 PRESSAVG: 2975800 -13.2524 -7.30903 6.23528 -7.30904 4.4197 -1.69242 6.23527 -1.69239 11.731 GPRESSAVG: 2975800 -13.7341 -7.87553 7.01787 -5.25839 3.62976 -1.82449 6.78301 -3.23322 12.4516 TIMING: 2975800 CPU: 9398.01, 0.00316307/step Wall: 9398.01, 0.00316307/step, 1.77852 hours remaining, 236.992188 MB of memory in use. ENERGY: 2975800 3971.3060 20419.0749 14490.0731 228.3375 -203396.0068 2707.5656 0.0000 0.0000 52071.8391 -109507.8107 299.2576 -161579.6497 -109152.2163 298.6337 5.0959 29.4063 760191.7857 0.9661 0.7824 PRESSURE: 2976000 -404.893 32.3941 91.7959 32.3946 -323.654 -132.497 91.7965 -132.496 -5.72088 GPRESSURE: 2976000 -236.088 105.39 40.9006 -41.7521 -323.1 -87.944 25.949 -105.954 -119.54 PRESSAVG: 2976000 24.0348 9.82797 36.9622 9.82792 -10.5877 44.22 36.9623 44.2199 10.462 GPRESSAVG: 2976000 24.5564 10.417 35.2627 8.22727 -9.81642 46.4657 37.5922 44.0559 9.47366 TIMING: 2976000 CPU: 9398.65, 0.00317561/step Wall: 9398.65, 0.00317561/step, 1.7854 hours remaining, 236.992188 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: 2976000 3969.8258 20521.5795 14500.7129 261.9655 -203087.8568 2306.1724 0.0000 0.0000 52109.1423 -109418.4584 299.4720 -161527.6007 -109058.3468 298.9752 -244.7558 -226.2428 762984.4333 7.9697 8.0712 PRESSURE: 2976200 -58.5458 -222.805 -52.9102 -222.805 -6.52275 -98.0555 -52.9099 -98.0552 -1.46453 GPRESSURE: 2976200 -44.4501 -161.645 -127.629 -164.948 58.1634 -102.358 -59.7375 -92.4793 0.96768 PRESSAVG: 2976200 -23.8788 -50.8144 -19.0304 -50.8144 26.7872 -28.9789 -19.0304 -28.9789 17.1736 GPRESSAVG: 2976200 -22.8985 -51.2459 -18.4041 -48.7914 25.6308 -31.6516 -20.6119 -28.0307 16.8668 TIMING: 2976200 CPU: 9399.28, 0.00316705/step Wall: 9399.28, 0.00316705/step, 1.78041 hours remaining, 236.992188 MB of memory in use. ENERGY: 2976200 3992.5685 20416.4663 14433.0082 241.2177 -203266.1773 2609.2600 0.0000 0.0000 52007.1569 -109566.4996 298.8858 -161573.6565 -109204.7170 298.8844 -22.1777 4.8937 760980.1494 6.6940 6.5331 LDB: ============= START OF LOAD BALANCING ============== 9411.82 LDB: ============== END OF LOAD BALANCING =============== 9411.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9411.82 LDB: ============= START OF LOAD BALANCING ============== 9412.13 LDB: Largest compute 7057 load 0.032401 is 16.6% of average load 0.195429 LDB: Average compute 0.004389 is 2.2% of average load 0.195429 LDB: TIME 9412.14 LOAD: AVG 0.195429 MAX 0.215024 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.574 MB LDB: TIME 9412.14 LOAD: AVG 0.195429 MAX 0.215024 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: TIME 9412.14 LOAD: AVG 0.195429 MAX 0.215024 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: ============== END OF LOAD BALANCING =============== 9412.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9412.15 PRESSURE: 2976400 -323.174 33.3023 -96.5969 33.3023 184.823 -40.6115 -96.5968 -40.6129 -288.594 GPRESSURE: 2976400 -272.663 1.02852 -110.594 -11.9465 132.857 -124.326 -129.3 -31.3404 -192.513 PRESSAVG: 2976400 -10.957 -44.9783 28.8483 -44.9782 -22.2295 21.8777 28.8483 21.8777 -3.36434 GPRESSAVG: 2976400 -11.4161 -46.2275 29.9309 -47.44 -21.7122 23.6221 29.4438 21.9999 -3.18271 TIMING: 2976400 CPU: 9399.93, 0.00323376/step Wall: 9399.93, 0.00323376/step, 1.81773 hours remaining, 234.734375 MB of memory in use. ENERGY: 2976400 3937.2242 20462.0061 14435.0968 257.3494 -203140.2443 2645.3051 0.0000 0.0000 51984.3661 -109418.8965 298.7549 -161403.2626 -109049.3586 299.3519 -142.3152 -110.7730 761163.6329 -12.1836 -12.1037 PRESSURE: 2976600 -131.041 0.047975 20.9171 0.0477954 287.653 -99.7129 20.9166 -99.7139 299.184 GPRESSURE: 2976600 -110.796 -138.824 -26.3079 -1.16097 384.483 -91.2827 5.90514 -136.371 284.699 PRESSAVG: 2976600 -5.51753 -58.8495 -35.0303 -58.8495 35.7624 -7.05994 -35.0303 -7.05992 -9.65508 GPRESSAVG: 2976600 -6.17458 -58.7369 -34.2019 -57.8681 35.7224 -8.23649 -35.579 -9.79405 -8.77105 TIMING: 2976600 CPU: 9400.56, 0.00315182/step Wall: 9400.56, 0.00315182/step, 1.7715 hours remaining, 234.734375 MB of memory in use. ENERGY: 2976600 3997.0888 20382.9790 14406.8109 243.4372 -203668.4952 2800.2313 0.0000 0.0000 52330.7033 -109507.2446 300.7453 -161837.9480 -109142.6714 299.3816 151.9321 186.1289 761452.5861 6.8633 6.9256 PRESSURE: 2976800 -138.555 -278.27 -328.561 -278.27 74.3406 -48.4577 -328.561 -48.4578 70.4133 GPRESSURE: 2976800 -77.975 -135.79 -304.865 -339.459 144.031 -66.1183 -202.226 -47.3516 18.573 PRESSAVG: 2976800 -17.3471 -43.5292 -14.5587 -43.5292 17.8812 -24.0172 -14.5587 -24.0171 -15.6085 GPRESSAVG: 2976800 -16.3719 -40.9544 -17.3208 -45.2693 18.0796 -25.5153 -12.8205 -21.2283 -16.6231 TIMING: 2976800 CPU: 9401.19, 0.00315156/step Wall: 9401.19, 0.00315156/step, 1.77118 hours remaining, 234.937500 MB of memory in use. ENERGY: 2976800 3937.8594 20654.0034 14403.7961 258.6742 -203178.4296 2564.7524 0.0000 0.0000 52025.8520 -109333.4920 298.9933 -161359.3440 -108971.7409 299.6878 2.0663 28.2098 761752.6785 -5.0248 -4.9718 PRESSURE: 2977000 52.2465 6.91519 50.0257 6.91564 -239.802 -161.423 50.0256 -161.423 -374.72 GPRESSURE: 2977000 117.783 -48.9879 -17.8781 21.6066 -302.473 -144.522 86.9283 -92.6473 -288.045 PRESSAVG: 2977000 50.2862 -72.0594 -44.2995 -72.0595 -24.8013 53.6328 -44.2995 53.6328 2.57873 GPRESSAVG: 2977000 49.2347 -72.5499 -42.9295 -70.8786 -24.679 55.0286 -45.7555 53.2587 3.45917 TIMING: 2977000 CPU: 9401.83, 0.00318264/step Wall: 9401.83, 0.00318264/step, 1.78847 hours remaining, 234.937500 MB of memory in use. ENERGY: 2977000 3953.6970 20548.4555 14454.8643 245.0694 -203065.5831 2421.1878 0.0000 0.0000 51991.6097 -109450.6995 298.7965 -161442.3091 -109092.8385 299.4068 -187.4251 -157.5783 761602.8979 9.3546 9.3383 PRESSURE: 2977200 -144.796 -38.3507 -121.137 -38.3504 -137.688 -35.2708 -121.138 -35.2708 -40.7728 GPRESSURE: 2977200 -141.449 -61.5227 -64.8164 -88.9236 -93.828 -60.433 -39.1312 -143.166 8.3444 PRESSAVG: 2977200 49.8685 -52.0083 -63.4101 -52.0084 -30.7506 10.44 -63.4101 10.4399 -5.50769 GPRESSAVG: 2977200 51.112 -51.9563 -63.4843 -53.4297 -31.7559 9.50241 -63.5342 12.6477 -5.47097 TIMING: 2977200 CPU: 9402.46, 0.00316859/step Wall: 9402.46, 0.00316859/step, 1.7804 hours remaining, 234.937500 MB of memory in use. ENERGY: 2977200 3979.9083 20516.8288 14538.0168 237.0949 -202941.3885 2294.1058 0.0000 0.0000 52079.0453 -109296.3886 299.2990 -161375.4338 -108939.4754 299.1983 -107.7524 -75.6443 763135.4149 4.5367 4.6284 PRESSURE: 2977400 -188.806 203.836 84.9854 203.836 -212.846 52.835 84.9852 52.8348 -410.7 GPRESSURE: 2977400 -96.6444 270.088 107.277 123.222 -182.067 55.3648 35.3748 26.3849 -437.374 PRESSAVG: 2977400 60.0624 -86.4206 -56.4843 -86.4206 -51.8886 27.0896 -56.4843 27.0896 3.79606 GPRESSAVG: 2977400 58.7149 -87.4734 -57.112 -85.7304 -49.9154 29.0084 -54.5809 21.9686 2.93637 TIMING: 2977400 CPU: 9403.09, 0.0031747/step Wall: 9403.09, 0.0031747/step, 1.78365 hours remaining, 234.937500 MB of memory in use. ENERGY: 2977400 4002.6239 20487.1675 14403.0732 265.4248 -203057.8201 2426.4614 0.0000 0.0000 52326.3722 -109146.6971 300.7204 -161473.0693 -108780.2823 299.3376 -270.7841 -238.6952 763709.9934 3.9900 3.9119 PRESSURE: 2977600 -166.544 186.271 -253.811 186.271 160.538 18.5268 -253.811 18.5261 -125.293 GPRESSURE: 2977600 -138.125 77.8731 -233.341 248.856 212.855 13.2792 -232.812 -116.855 -114.531 PRESSAVG: 2977600 9.02581 -59.1984 -10.0914 -59.1984 -35.1892 4.87556 -10.0914 4.87548 -7.41452 GPRESSAVG: 2977600 9.91341 -59.4019 -10.4854 -59.1415 -35.7117 4.1217 -11.9651 5.99351 -7.79796 TIMING: 2977600 CPU: 9403.73, 0.00316316/step Wall: 9403.73, 0.00316316/step, 1.77699 hours remaining, 235.210938 MB of memory in use. ENERGY: 2977600 3968.2510 20598.3674 14422.4588 263.8021 -203427.1047 2833.6467 0.0000 0.0000 51863.0769 -109477.5017 298.0578 -161340.5786 -109125.7722 299.3823 -43.7664 -13.2669 762969.8931 -11.1926 -11.1987 PRESSURE: 2977800 80.5219 -134.565 -150.825 -134.565 -221.326 -187.227 -150.825 -187.227 -191.274 GPRESSURE: 2977800 72.7399 -169.632 -51.3266 -145.567 -108.38 -170.474 -150.57 -277.201 -212.062 PRESSAVG: 2977800 -4.21711 -34.912 -1.92027 -34.9119 -25.2545 -34.3574 -1.92036 -34.3574 6.72829 GPRESSAVG: 2977800 -3.02093 -34.6664 -0.151929 -35.1671 -27.3952 -34.7497 -2.80604 -32.1039 7.47699 TIMING: 2977800 CPU: 9404.36, 0.00316711/step Wall: 9404.36, 0.00316711/step, 1.77904 hours remaining, 235.210938 MB of memory in use. ENERGY: 2977800 3990.3344 20664.9032 14413.4778 237.8363 -203253.0205 2443.4300 0.0000 0.0000 52079.4983 -109423.5406 299.3016 -161503.0388 -109063.0256 299.7763 -110.6928 -82.5676 763115.3951 -7.5811 -7.6464 PRESSURE: 2978000 -9.02715 -77.5129 -4.17294 -77.5133 148.712 52.3415 -4.1723 52.342 1.84369 GPRESSURE: 2978000 44.0681 -66.4666 57.7055 -32.423 49.4334 49.4136 -4.52385 3.29397 109.479 PRESSAVG: 2978000 39.0168 -61.3971 -16.1245 -61.397 -35.3058 21.7431 -16.1245 21.7431 -2.00745 GPRESSAVG: 2978000 38.8037 -60.1616 -17.1498 -61.6874 -35.1407 21.7617 -12.6405 19.0328 -1.8248 TIMING: 2978000 CPU: 9404.99, 0.00315912/step Wall: 9404.99, 0.00315912/step, 1.77437 hours remaining, 235.210938 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: 2978000 4034.1899 20607.4957 14398.1112 247.3276 -203479.1479 2535.1113 0.0000 0.0000 52115.9310 -109540.9813 299.5110 -161656.9123 -109174.7054 299.4894 47.1763 67.6603 762641.5599 0.5679 0.6127 PRESSURE: 2978200 280.535 -213.124 291.411 -213.124 167.669 -262.461 291.411 -262.461 -62.835 GPRESSURE: 2978200 314.177 -158.707 324.818 -223.752 195.964 -281.661 189.396 -293.05 -34.4897 PRESSAVG: 2978200 22.4395 -49.0261 -38.9549 -49.0261 2.67686 -7.36758 -38.9549 -7.36758 28.6404 GPRESSAVG: 2978200 22.0372 -50.0331 -39.6127 -49.1036 2.9481 -8.66111 -41.2647 -6.42266 29.1221 TIMING: 2978200 CPU: 9405.63, 0.0031783/step Wall: 9405.63, 0.00317831/step, 1.78497 hours remaining, 235.210938 MB of memory in use. ENERGY: 2978200 3919.1378 20563.1923 14360.8663 231.9764 -203886.3145 2880.6732 0.0000 0.0000 52274.7925 -109655.6760 300.4240 -161930.4685 -109287.1422 299.1497 128.4562 158.5503 761068.1022 17.9189 18.0358 PRESSURE: 2978400 -77.483 293.713 -43.1171 293.712 313.549 46.0947 -43.1172 46.0951 -130.02 GPRESSURE: 2978400 -36.2173 306.291 -69.0961 228.614 300.486 100.065 -166.634 -2.18279 -85.1246 PRESSAVG: 2978400 25.5119 14.3902 32.5214 14.3903 -7.50422 -37.4449 32.5214 -37.4449 -3.22943 GPRESSAVG: 2978400 25.0363 15.9763 33.0765 14.4687 -5.25514 -36.9153 33.4084 -36.9486 -4.84922 TIMING: 2978400 CPU: 9406.26, 0.00317694/step Wall: 9406.26, 0.00317694/step, 1.78403 hours remaining, 235.210938 MB of memory in use. ENERGY: 2978400 3961.8905 20480.2515 14404.1359 260.2980 -202974.5763 2368.5308 0.0000 0.0000 51713.1583 -109786.3112 297.1962 -161499.4695 -109426.5672 298.7608 35.3484 59.7148 760838.3700 4.9261 4.9773 PRESSURE: 2978600 127.987 -44.184 -105.357 -44.1835 -436.056 13.3819 -105.356 13.3818 -17.0599 GPRESSURE: 2978600 50.4915 -13.3685 -56.3139 -86.9608 -348.104 34.6067 3.69275 -52.1076 41.8459 PRESSAVG: 2978600 -5.74176 -2.51683 51.2183 -2.51684 -3.091 16.9119 51.2184 16.9119 -23.5706 GPRESSAVG: 2978600 -4.94956 -2.8676 51.3598 -2.76427 -4.66294 16.7038 50.1962 14.449 -23.0268 TIMING: 2978600 CPU: 9406.9, 0.00316788/step Wall: 9406.9, 0.00316788/step, 1.77876 hours remaining, 235.210938 MB of memory in use. ENERGY: 2978600 3979.3948 20399.9369 14386.0888 240.9616 -203274.2685 2171.5742 0.0000 0.0000 51988.2199 -110108.0922 298.7770 -162096.3121 -109738.2547 298.3614 -108.3766 -85.2554 759069.9091 -10.8011 -10.8798 PRESSURE: 2978800 -164.534 -57.4369 153.123 -57.438 -66.4677 -7.86603 153.123 -7.86576 235.585 GPRESSURE: 2978800 -52.3878 -149.165 172.32 -37.1758 -13.8602 14.6816 128.693 -73.7909 167.877 PRESSAVG: 2978800 64.1568 -20.9827 59.2225 -20.9826 -46.7323 44.3159 59.2224 44.3159 9.60317 GPRESSAVG: 2978800 62.4847 -21.7454 59.1188 -20.6721 -45.5402 44.4399 59.2416 45.7393 10.1889 TIMING: 2978800 CPU: 9407.53, 0.00317255/step Wall: 9407.53, 0.00317255/step, 1.78121 hours remaining, 235.210938 MB of memory in use. ENERGY: 2978800 3943.3404 20430.0990 14397.9660 244.2204 -203593.9530 2436.1333 0.0000 0.0000 52294.9961 -109847.1978 300.5401 -162142.1939 -109484.9859 298.4324 1.5277 33.8762 759464.5008 9.0092 9.0445 PRESSURE: 2979000 -259.3 -16.1992 101.808 -16.1986 -528.151 19.3502 101.807 19.3517 85.7499 GPRESSURE: 2979000 -285.714 -5.0149 145.427 -48.3646 -375.523 -20.8303 -75.3827 -46.9709 61.582 PRESSAVG: 2979000 68.7605 -68.8026 -8.12018 -68.8026 -39.2922 22.9158 -8.12016 22.9158 -22.1332 GPRESSAVG: 2979000 68.4759 -69.1117 -8.15768 -67.8537 -39.6489 23.8413 -6.95256 23.1678 -21.838 TIMING: 2979000 CPU: 9408.17, 0.00317983/step Wall: 9408.17, 0.00317983/step, 1.78512 hours remaining, 235.210938 MB of memory in use. ENERGY: 2979000 4054.0139 20510.1954 14385.5501 230.8695 -203497.3367 2470.8057 0.0000 0.0000 52006.5182 -109839.3839 298.8822 -161845.9021 -109472.7636 299.5218 -233.9002 -199.8851 761242.9600 2.4450 2.3297 PRESSURE: 2979200 -304.454 168.083 24.4331 168.083 -178.471 -135.056 24.4335 -135.056 -202.578 GPRESSURE: 2979200 -246.151 150.871 56.3928 116.237 -169.556 -112.513 -65.0659 4.81553 -174.535 PRESSAVG: 2979200 -10.4469 -28.7116 23.1721 -28.7116 -7.522 -16.1354 23.1721 -16.1355 -9.89332 GPRESSAVG: 2979200 -8.70065 -28.742 21.5975 -28.8003 -8.55131 -16.2063 23.0586 -16.4788 -10.4113 TIMING: 2979200 CPU: 9408.8, 0.00317356/step Wall: 9408.8, 0.00317356/step, 1.78143 hours remaining, 235.210938 MB of memory in use. ENERGY: 2979200 4024.9469 20417.3114 14461.1663 243.6339 -203496.4780 2527.0915 0.0000 0.0000 52117.0938 -109705.2342 299.5177 -161822.3279 -109343.8319 299.4800 -228.5013 -196.7474 761633.7953 -9.2874 -9.2211 PRESSURE: 2979400 -54.1149 160.411 -5.39321 160.412 -300.936 -85.1759 -5.39373 -85.1764 -493.656 GPRESSURE: 2979400 -68.3562 18.725 6.80014 140.403 -273.651 -143.483 -113.917 -141.686 -430.694 PRESSAVG: 2979400 -9.48214 -22.7198 16.1259 -22.7197 7.58316 29.5082 16.1259 29.5082 -6.30775 GPRESSAVG: 2979400 -10.7153 -24.707 18.5233 -22.9453 8.1411 29.9827 13.9177 29.7808 -5.79699 TIMING: 2979400 CPU: 9409.43, 0.00314667/step Wall: 9409.43, 0.00314667/step, 1.76616 hours remaining, 235.210938 MB of memory in use. ENERGY: 2979400 3935.9772 20531.1284 14483.9098 226.4311 -203648.5504 2464.4388 0.0000 0.0000 52306.4950 -109700.1701 300.6061 -162006.6652 -109338.5740 299.0523 -282.9021 -257.5669 761503.6666 -2.7356 -2.7904 PRESSURE: 2979600 -287.185 -70.8879 -95.354 -70.8881 60.8323 86.0235 -95.3543 86.0225 -142.175 GPRESSURE: 2979600 -267.587 -92.0971 -69.7382 -37.4636 74.3533 157.134 -43.0905 136.185 -75.6448 PRESSAVG: 2979600 24.7982 17.0111 -1.4564 17.0111 15.1281 -31.5156 -1.45641 -31.5156 -6.57251 GPRESSAVG: 2979600 25.2586 21.6813 -2.6805 14.243 16.1637 -32.5291 -1.01696 -32.309 -8.04724 TIMING: 2979600 CPU: 9410.07, 0.00316909/step Wall: 9410.07, 0.00316909/step, 1.77856 hours remaining, 235.210938 MB of memory in use. ENERGY: 2979600 3996.3080 20617.0885 14487.8583 256.0841 -203340.3665 2382.3435 0.0000 0.0000 51908.1256 -109692.5585 298.3167 -161600.6841 -109329.9933 298.9213 -122.8425 -89.6262 762587.7067 11.1179 11.1250 PRESSURE: 2979800 -131.749 -79.7586 93.6383 -79.7591 -73.5577 -104.2 93.638 -104.201 -504.092 GPRESSURE: 2979800 -112.074 -87.6176 92.0101 32.1151 -63.5988 -195.385 190.881 -168.978 -434.624 PRESSAVG: 2979800 -33.1378 6.92852 14.8308 6.92847 15.1945 -15.9116 14.8308 -15.9116 1.78984 GPRESSAVG: 2979800 -32.0624 4.15659 16.0168 11.0822 13.1482 -16.7686 13.9166 -13.7277 3.36417 TIMING: 2979800 CPU: 9410.7, 0.00316081/step Wall: 9410.7, 0.00316081/step, 1.77374 hours remaining, 235.210938 MB of memory in use. ENERGY: 2979800 4061.7111 20504.1999 14415.7019 251.0781 -203504.5923 2804.5465 0.0000 0.0000 51680.5584 -109786.7964 297.0089 -161467.3548 -109432.6195 298.7415 -236.4664 -203.4324 763103.3602 -5.3845 -5.1833 PRESSURE: 2980000 -84.7543 152.386 120.442 152.386 -161.32 -292.151 120.442 -292.152 -90.6617 GPRESSURE: 2980000 -14.0007 99.6309 152.702 126.141 -188.976 -261.092 161.612 -207.496 -47.6008 PRESSAVG: 2980000 -48.1017 -27.7653 -14.4123 -27.7653 -5.05686 -17.1864 -14.4123 -17.1864 -6.70661 GPRESSAVG: 2980000 -48.742 -29.3707 -15.4254 -28.6771 -3.60376 -18.4453 -14.2314 -16.129 -7.83399 TIMING: 2980000 CPU: 9411.33, 0.00314038/step Wall: 9411.33, 0.00314038/step, 1.7621 hours remaining, 235.210938 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: 2980000 4040.6383 20584.3105 14382.9814 235.1806 -203525.1650 2683.2608 0.0000 0.0000 51924.2819 -109674.5116 298.4096 -161598.7935 -109310.3708 298.4225 -112.2455 -83.5259 761462.5962 -19.9550 -20.0599 PRESSURE: 2980200 -115.642 40.1422 0.486293 40.1421 -395.624 22.7992 0.486313 22.8004 -229.753 GPRESSURE: 2980200 -142.332 105.934 -68.9095 -49.119 -184.533 16.0911 -65.4015 118.303 -339.788 PRESSAVG: 2980200 -14.9995 9.15785 73.8858 9.1579 41.0547 44.8163 73.8858 44.8163 -11.917 GPRESSAVG: 2980200 -15.5242 10.4373 72.958 7.21542 41.566 47.3267 75.737 42.5265 -12.0221 TIMING: 2980200 CPU: 9411.96, 0.0031588/step Wall: 9411.96, 0.0031588/step, 1.77226 hours remaining, 235.210938 MB of memory in use. ENERGY: 2980200 4067.8672 20586.1065 14446.8343 262.0802 -203429.7393 2699.1921 0.0000 0.0000 51721.8921 -109645.7668 297.2464 -161367.6589 -109278.7631 298.4740 -247.0066 -222.2178 761731.6251 4.7127 4.6732 LDB: ============= START OF LOAD BALANCING ============== 9424.49 LDB: ============== END OF LOAD BALANCING =============== 9424.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9424.49 LDB: ============= START OF LOAD BALANCING ============== 9424.81 LDB: Largest compute 7075 load 0.032096 is 16.4% of average load 0.195553 LDB: Average compute 0.004373 is 2.2% of average load 0.195553 LDB: TIME 9424.81 LOAD: AVG 0.195553 MAX 0.215416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 9424.81 LOAD: AVG 0.195553 MAX 0.215416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 9424.81 LOAD: AVG 0.195553 MAX 0.215416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 9424.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9424.82 PRESSURE: 2980400 120.203 59.291 106.033 59.2912 -160.381 -137.54 106.033 -137.539 208.503 GPRESSURE: 2980400 201.12 109.537 60.097 115.336 -148.724 -110.991 197.237 13.4016 205.149 PRESSAVG: 2980400 124.367 -37.3836 -20.4827 -37.3836 -64.1051 -28.9147 -20.4826 -28.9146 16.9511 GPRESSAVG: 2980400 124.237 -38.7717 -21.1409 -35.8366 -64.185 -29.5766 -21.3235 -27.1777 16.7001 TIMING: 2980400 CPU: 9412.6, 0.00322217/step Wall: 9412.6, 0.00322217/step, 1.80764 hours remaining, 235.652344 MB of memory in use. ENERGY: 2980400 3943.8592 20603.0086 14379.0599 253.6181 -203531.8202 2563.6486 0.0000 0.0000 52178.6331 -109609.9927 299.8713 -161788.6258 -109243.6027 298.9773 56.1084 85.8484 760598.0861 25.7378 25.5839 PRESSURE: 2980600 423.172 -158.978 125.991 -158.976 59.1407 -154.818 125.992 -154.82 -261.605 GPRESSURE: 2980600 417.353 -213.606 115.67 -204.09 158.778 -34.7386 73.3357 -108.934 -251.97 PRESSAVG: 2980600 99.3462 -56.217 9.34172 -56.217 -55.7959 -13.6705 9.34171 -13.6706 -12.0388 GPRESSAVG: 2980600 99.5287 -55.9979 9.79232 -55.3276 -57.0162 -13.2676 10.5675 -13.5844 -10.7609 TIMING: 2980600 CPU: 9413.23, 0.00316315/step Wall: 9413.23, 0.00316316/step, 1.77435 hours remaining, 235.855469 MB of memory in use. ENERGY: 2980600 4021.0759 20510.8360 14388.7465 242.6428 -203701.7507 3033.1221 0.0000 0.0000 51847.1319 -109658.1955 297.9662 -161505.3274 -109298.5439 298.6467 73.5690 108.0538 760930.3338 10.5038 10.5839 PRESSURE: 2980800 76.0501 10.2744 17.7364 10.2745 -274.91 42.7884 17.7363 42.7881 -18.3138 GPRESSURE: 2980800 93.5878 52.0371 112.313 45.293 -242.712 42.961 -119.364 17.8376 11.7573 PRESSAVG: 2980800 -23.0875 -72.1899 20.182 -72.1899 -4.15516 -1.57821 20.182 -1.57814 -16.759 GPRESSAVG: 2980800 -23.7761 -70.0117 21.0909 -74.393 -4.1314 -2.89971 18.7391 -1.69386 -15.8856 TIMING: 2980800 CPU: 9413.87, 0.00318146/step Wall: 9413.87, 0.00318146/step, 1.78445 hours remaining, 235.855469 MB of memory in use. ENERGY: 2980800 3983.1249 20576.5043 14393.0000 244.6014 -203424.3599 2448.2836 0.0000 0.0000 52020.0260 -109758.8196 298.9598 -161778.8457 -109403.8332 298.5425 -72.3913 -45.7889 760983.9259 -14.6672 -14.5977 PRESSURE: 2981000 -135.092 196.914 -145.606 196.914 -254.577 73.9441 -145.605 73.9434 -167.158 GPRESSURE: 2981000 -138.639 219.098 -124.72 118.658 -160.465 113.001 -144.448 131.377 -174.676 PRESSAVG: 2981000 -55.2979 -27.2653 23.2833 -27.2653 36.019 19.6948 23.2834 19.6947 -22.999 GPRESSAVG: 2981000 -54.1687 -28.1967 23.0556 -27.2085 35.9526 19.3979 23.3107 22.0716 -24.3452 TIMING: 2981000 CPU: 9414.51, 0.00318631/step Wall: 9414.51, 0.00318632/step, 1.78699 hours remaining, 235.855469 MB of memory in use. ENERGY: 2981000 3950.7111 20442.5850 14399.4346 245.0409 -203044.4672 2368.7146 0.0000 0.0000 51930.7110 -109707.2700 298.4465 -161637.9810 -109331.6870 298.5866 -185.6090 -157.9265 762490.0951 -14.0926 -14.1871 PRESSURE: 2981200 317.604 -48.8925 -59.1136 -48.8934 340.755 255.349 -59.1141 255.349 200.251 GPRESSURE: 2981200 326.044 37.6434 -35.6554 -79.9135 326.203 278.688 -116.695 213.247 275.565 PRESSAVG: 2981200 65.9409 -16.6508 32.8004 -16.6507 -48.9151 5.5446 32.8003 5.54447 22.6358 GPRESSAVG: 2981200 66.1113 -16.5893 33.393 -17.4024 -50.0291 7.98209 32.1516 1.86738 23.6882 TIMING: 2981200 CPU: 9415.14, 0.00317231/step Wall: 9415.14, 0.00317231/step, 1.77896 hours remaining, 235.921875 MB of memory in use. ENERGY: 2981200 3920.3519 20420.7210 14403.7094 221.1238 -203223.6396 2610.7636 0.0000 0.0000 52057.7328 -109589.2371 299.1765 -161646.9699 -109229.8449 298.9122 286.2034 309.2708 761500.6767 13.2205 13.2568 PRESSURE: 2981400 -159.052 15.1627 62.6687 15.1628 -404.823 176.478 62.6682 176.477 10.4618 GPRESSURE: 2981400 -102.74 86.9316 102.719 -40.3193 -347.233 184.968 87.2827 219.431 -20.4264 PRESSAVG: 2981400 35.3671 -17.8787 -24.9627 -17.8788 -63.8338 9.17542 -24.9626 9.17537 -1.16404 GPRESSAVG: 2981400 35.3759 -17.7573 -26.6424 -18.2741 -62.3044 8.40184 -24.495 9.43732 -2.4358 TIMING: 2981400 CPU: 9415.77, 0.00315942/step Wall: 9415.77, 0.00315942/step, 1.77156 hours remaining, 235.921875 MB of memory in use. ENERGY: 2981400 3870.7062 20275.8339 14358.5206 229.8629 -202639.3762 2147.9117 0.0000 0.0000 52157.1355 -109599.4054 299.7478 -161756.5410 -109227.8901 298.6709 -184.4710 -156.7997 762107.0411 -9.8769 -9.7881 PRESSURE: 2981600 -82.3324 -133.334 28.9861 -133.334 -160.731 -84.7497 28.9863 -84.7502 -74.0817 GPRESSURE: 2981600 -5.76041 -159.781 -18.2099 -73.7378 -139.426 -27.3244 4.46831 -164.342 -63.2675 PRESSAVG: 2981600 -8.70396 -32.1294 20.4418 -32.1294 -28.5513 -17.151 20.4417 -17.1512 -15.7027 GPRESSAVG: 2981600 -8.49687 -33.9325 22.7953 -30.0929 -28.8228 -17.4799 18.4695 -17.0471 -15.0487 TIMING: 2981600 CPU: 9416.4, 0.0031437/step Wall: 9416.4, 0.0031437/step, 1.76257 hours remaining, 235.921875 MB of memory in use. ENERGY: 2981600 3917.5740 20278.6659 14299.3975 263.5890 -203055.6315 2594.9702 0.0000 0.0000 51994.2332 -109707.2017 298.8116 -161701.4349 -109346.2332 298.3574 -105.7151 -69.4847 762013.6052 -17.6526 -17.4561 PRESSURE: 2981800 -47.6319 328.696 84.0879 328.696 135.276 68.6168 84.0879 68.6167 183.582 GPRESSURE: 2981800 59.6315 437.224 16.3252 287.185 15.2155 55.2163 31.1712 154.368 277.057 PRESSAVG: 2981800 -1.54203 -0.325561 25.3828 -0.325473 -38.7756 20.1292 25.3828 20.1293 20.6127 GPRESSAVG: 2981800 -0.993219 2.13595 23.3959 -0.149156 -40.4904 22.0063 26.4227 21.1421 21.8697 TIMING: 2981800 CPU: 9417.03, 0.0031447/step Wall: 9417.03, 0.0031447/step, 1.76295 hours remaining, 235.921875 MB of memory in use. ENERGY: 2981800 3941.1763 20380.4310 14402.3240 238.5823 -203260.0752 2716.9315 0.0000 0.0000 51881.6125 -109699.0176 298.1643 -161580.6300 -109347.7081 298.6620 90.4087 117.3013 760601.3451 -6.5683 -6.5380 PRESSURE: 2982000 474.531 54.217 6.6032 54.2173 -304.485 -12.4216 6.603 -12.422 -457.619 GPRESSURE: 2982000 434.892 26.7008 113.518 90.3575 -204.115 17.4287 28.1846 -189.046 -430.424 PRESSAVG: 2982000 31.8112 -11.9405 19.5117 -11.9405 -13.5107 30.5308 19.5117 30.5309 -7.77515 GPRESSAVG: 2982000 30.9685 -12.7724 18.8654 -12.7236 -11.5367 28.4063 20.4159 29.6204 -9.37571 TIMING: 2982000 CPU: 9417.67, 0.00317017/step Wall: 9417.67, 0.00317017/step, 1.77706 hours remaining, 235.921875 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: 2982000 3936.0077 20511.3866 14348.0662 239.0053 -203155.6027 2607.6966 0.0000 0.0000 51849.1804 -109664.2599 297.9780 -161513.4403 -109301.1927 298.3050 -95.8577 -66.5488 762359.6712 3.5084 3.3520 PRESSURE: 2982200 -446.092 -4.62664 -222.389 -4.62721 -110.419 10.9883 -222.39 10.9871 40.0145 GPRESSURE: 2982200 -405.32 34.8384 -157.427 68.2575 -89.1328 108.447 -167.598 -32.3761 74.0188 PRESSAVG: 2982200 10.4867 -5.90384 12.2264 -5.90382 2.33555 -7.08399 12.2263 -7.08393 19.7397 GPRESSAVG: 2982200 9.24833 -7.18479 14.2729 -4.7614 2.44824 -4.93948 12.9766 -7.70215 20.9188 TIMING: 2982200 CPU: 9418.3, 0.00315924/step Wall: 9418.3, 0.00315924/step, 1.77076 hours remaining, 235.921875 MB of memory in use. ENERGY: 2982200 3946.8163 20269.7003 14389.3071 247.4590 -202931.7287 2454.3643 0.0000 0.0000 51908.6932 -109715.3885 298.3200 -161624.0817 -109342.0990 298.6084 -172.1654 -140.1448 763653.8021 10.8540 10.8718 PRESSURE: 2982400 -385.973 -54.211 87.2783 -54.2109 22.0029 -108.252 87.2785 -108.251 -103.424 GPRESSURE: 2982400 -282.231 51.3228 169.586 -103.237 -1.99121 -104.166 30.2151 -13.4508 -91.448 PRESSAVG: 2982400 -33.5217 -29.2479 -5.80084 -29.2478 -5.56285 -25.229 -5.80086 -25.2289 11.6405 GPRESSAVG: 2982400 -30.5974 -26.9294 -7.11633 -29.4065 -7.07592 -27.1832 -5.25359 -23.078 9.8487 TIMING: 2982400 CPU: 9418.93, 0.00315667/step Wall: 9418.93, 0.00315667/step, 1.76914 hours remaining, 235.921875 MB of memory in use. ENERGY: 2982400 3994.7167 20422.2406 14416.8587 244.4506 -202528.2333 2066.1915 0.0000 0.0000 51803.7480 -109580.0273 297.7169 -161383.7753 -109212.3050 298.2842 -155.7981 -125.2232 761971.6581 -9.1480 -9.2749 PRESSURE: 2982600 401.584 343.84 94.0327 343.84 382.762 -151.39 94.0331 -151.389 41.8595 GPRESSURE: 2982600 349.791 261.058 37.8245 254.198 439.65 -223.396 60.7057 -97.0995 108.341 PRESSAVG: 2982600 -13.5475 -8.95059 52.9095 -8.95058 9.95036 29.1242 52.9094 29.1242 -3.05163 GPRESSAVG: 2982600 -13.9675 -9.54606 53.3697 -10.208 10.2242 28.2442 50.6969 28.4958 -2.87524 TIMING: 2982600 CPU: 9419.56, 0.00315096/step Wall: 9419.56, 0.00315096/step, 1.76576 hours remaining, 235.921875 MB of memory in use. ENERGY: 2982600 3934.2072 20458.9850 14426.8949 234.2402 -203698.9134 2985.2709 0.0000 0.0000 51786.4624 -109872.8528 297.6175 -161659.3152 -109525.2014 298.1686 275.4019 299.2609 761239.3443 -2.2162 -2.2062 PRESSURE: 2982800 70.1679 -111.542 -193.813 -111.543 112.412 28.6187 -193.813 28.6189 54.4555 GPRESSURE: 2982800 20.8019 -134.168 -231.848 -74.2009 137.697 -8.42939 -232.104 89.4855 159.615 PRESSAVG: 2982800 -7.22351 -36.6463 -6.53915 -36.6464 34.6346 15.9467 -6.53916 15.9467 -11.644 GPRESSAVG: 2982800 -9.21941 -37.8971 -6.61999 -35.6691 36.073 16.5274 -5.32518 14.4936 -11.3765 TIMING: 2982800 CPU: 9420.19, 0.00314213/step Wall: 9420.19, 0.00314213/step, 1.76064 hours remaining, 235.921875 MB of memory in use. ENERGY: 2982800 4014.5822 20506.1089 14453.0114 232.4094 -203251.4423 2534.0714 0.0000 0.0000 51550.6945 -109960.5644 296.2625 -161511.2589 -109596.2980 298.0222 79.0117 106.0377 761324.7021 5.2557 5.1590 PRESSURE: 2983000 85.0336 3.01765 -258.124 3.0171 112.598 33.9384 -258.124 33.9393 -1.11504 GPRESSURE: 2983000 23.4103 3.72418 -232.515 44.4781 175.994 86.2412 -235.442 87.3368 89.3083 PRESSAVG: 2983000 -40.9403 -82.098 8.6617 -82.0981 14.6222 10.5186 8.6617 10.5185 -3.56238 GPRESSAVG: 2983000 -41.1873 -81.6941 8.7411 -81.9352 13.1232 12.0645 7.67619 12.2885 -2.59976 TIMING: 2983000 CPU: 9420.82, 0.00315785/step Wall: 9420.82, 0.00315785/step, 1.76927 hours remaining, 235.921875 MB of memory in use. ENERGY: 2983000 3951.4994 20481.8797 14423.2671 232.6938 -203673.4734 2748.7320 0.0000 0.0000 51760.1040 -110075.2974 297.4660 -161835.4013 -109705.8425 297.5981 65.5054 96.2375 762211.0914 -9.9601 -10.2213 PRESSURE: 2983200 -222.514 53.5624 199.46 53.5614 90.4387 96.3294 199.459 96.3291 10.9965 GPRESSURE: 2983200 -138.158 -24.583 153.024 140.421 110.576 77.4208 127.05 100.26 -4.76682 PRESSAVG: 2983200 7.90736 -31.0591 62.7769 -31.0591 -10.8523 19.9599 62.7769 19.9598 -23.3795 GPRESSAVG: 2983200 8.61484 -30.1077 61.9739 -31.3151 -10.7296 18.6603 61.0013 18.3363 -24.0905 TIMING: 2983200 CPU: 9421.45, 0.0031433/step Wall: 9421.45, 0.0031433/step, 1.76095 hours remaining, 235.921875 MB of memory in use. ENERGY: 2983200 3963.4383 20618.2904 14394.9226 245.8009 -203871.0861 2774.4813 0.0000 0.0000 51907.4315 -109966.7212 298.3127 -161874.1526 -109606.5421 297.6712 -40.3595 -10.7828 760266.5522 -8.7748 -8.7351 PRESSURE: 2983400 -90.8578 -150.183 -67.6239 -150.183 -179.24 -89.5621 -67.6247 -89.5632 -187.107 GPRESSURE: 2983400 -16.4319 -97.5115 -25.2386 -99.0764 -82.3607 -161.539 -42.2135 10.1997 -279.217 PRESSAVG: 2983400 -41.2789 -29.0626 33.4687 -29.0625 65.3335 16.0498 33.4687 16.0498 16.2681 GPRESSAVG: 2983400 -40.4636 -32.4398 36.0658 -31.5795 65.9505 15.609 33.6261 17.5498 15.5214 TIMING: 2983400 CPU: 9422.08, 0.0031373/step Wall: 9422.08, 0.0031373/step, 1.75741 hours remaining, 235.921875 MB of memory in use. ENERGY: 2983400 3860.7388 20380.2531 14393.8955 254.2332 -203455.3877 2490.8250 0.0000 0.0000 52049.9700 -110025.4720 299.1319 -162075.4420 -109657.0360 298.1386 -152.4017 -126.0033 760773.9489 13.4409 13.6694 PRESSURE: 2983600 105.34 -14.5163 -22.5666 -14.516 -63.3287 35.4852 -22.5675 35.4857 -179.966 GPRESSURE: 2983600 112.211 -27.9311 -14.815 109.573 3.51169 93.5943 -93.8055 12.4328 -176.534 PRESSAVG: 2983600 49.4559 7.36877 -37.7448 7.36878 12.5235 -48.9768 -37.7448 -48.9768 12.5402 GPRESSAVG: 2983600 50.5854 7.72041 -39.3209 11.274 10.7559 -49.0741 -36.0517 -49.6142 13.5241 TIMING: 2983600 CPU: 9422.71, 0.00316442/step Wall: 9422.71, 0.00316442/step, 1.77243 hours remaining, 235.921875 MB of memory in use. ENERGY: 2983600 3971.5819 20659.0066 14404.1247 264.3386 -203883.3772 2551.9888 0.0000 0.0000 52084.6080 -109947.7285 299.3310 -162032.3366 -109589.3273 298.7112 -45.9849 -20.2705 761052.3658 24.8399 24.9551 PRESSURE: 2983800 72.4943 -91.9516 106.008 -91.9515 -110.987 -16.8525 106.009 -16.8522 -277.028 GPRESSURE: 2983800 20.2595 -271.1 44.8529 -17.3674 -62.2256 45.5104 213.609 -101.565 -166.038 PRESSAVG: 2983800 -21.2991 -54.5167 33.3878 -54.5167 65.4617 2.80841 33.3879 2.80841 9.30103 GPRESSAVG: 2983800 -23.4899 -52.1569 32.5318 -57.638 67.8293 3.95953 33.5484 1.74344 9.84231 TIMING: 2983800 CPU: 9423.34, 0.0031739/step Wall: 9423.34, 0.0031739/step, 1.77756 hours remaining, 235.921875 MB of memory in use. ENERGY: 2983800 3970.0258 20515.5974 14383.7136 229.0235 -203364.7687 2461.6489 0.0000 0.0000 51749.5782 -110055.1812 297.4055 -161804.7595 -109701.3493 297.6713 -105.1735 -69.3346 760899.8314 17.8212 18.0606 PRESSURE: 2984000 -213.823 39.1761 112.158 39.1762 13.4901 -193.943 112.158 -193.943 -250.926 GPRESSURE: 2984000 -167.195 -42.3301 84.5265 88.3807 56.405 -115.902 66.5712 -160.377 -255.428 PRESSAVG: 2984000 -16.7793 -30.2783 39.4528 -30.2784 6.54168 13.809 39.4529 13.809 -1.48095 GPRESSAVG: 2984000 -14.9178 -31.5508 40.382 -29.162 6.14242 13.6241 37.4266 14.3615 -3.01226 TIMING: 2984000 CPU: 9423.97, 0.00315332/step Wall: 9423.97, 0.00315332/step, 1.76586 hours remaining, 235.921875 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: 2984000 4025.0039 20575.0919 14404.6194 264.0996 -203855.2186 2836.8457 0.0000 0.0000 51499.8925 -110249.6656 295.9706 -161749.5581 -109897.9042 297.2055 -150.4198 -122.0728 762005.6645 -3.9062 -3.9292 PRESSURE: 2984200 310.503 -40.3686 342.077 -40.3683 86.6708 274.766 342.077 274.767 172.192 GPRESSURE: 2984200 266.697 -67.5102 311.961 -34.6948 170.13 158.698 289.405 252.842 225.288 PRESSAVG: 2984200 -47.5148 -7.34461 -14.2906 -7.34467 10.1157 -30.7851 -14.2906 -30.7851 -7.319 GPRESSAVG: 2984200 -46.6441 -7.45291 -13.9435 -6.30384 9.10403 -30.9011 -13.711 -28.7628 -6.19401 TIMING: 2984200 CPU: 9424.61, 0.00315787/step Wall: 9424.61, 0.00315787/step, 1.76823 hours remaining, 235.921875 MB of memory in use. ENERGY: 2984200 3997.8686 20460.7089 14399.8760 241.5969 -204030.4987 3031.0059 0.0000 0.0000 51775.8842 -110123.5582 297.5567 -161899.4423 -109764.0078 297.6590 189.7885 220.7053 761991.6059 -14.9060 -14.5780 LDB: ============= START OF LOAD BALANCING ============== 9437.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9437.14 LDB: =============== DONE WITH MIGRATION ================ 9437.14 LDB: ============= START OF LOAD BALANCING ============== 9437.46 LDB: Largest compute 7075 load 0.031140 is 15.9% of average load 0.195555 LDB: Average compute 0.004364 is 2.2% of average load 0.195555 LDB: TIME 9437.47 LOAD: AVG 0.195555 MAX 0.215612 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 9437.47 LOAD: AVG 0.195555 MAX 0.215612 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 9437.47 LOAD: AVG 0.195555 MAX 0.215612 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 9437.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9437.47 PRESSURE: 2984400 -331.542 -78.0293 -60.1426 -78.029 -293.569 -10.8635 -60.1431 -10.8632 -37.8461 GPRESSURE: 2984400 -265.256 3.8396 21.6866 45.5232 -265.217 -51.3218 -94.3598 2.5302 -49.8524 PRESSAVG: 2984400 19.0386 -8.84337 -47.4243 -8.84337 33.6997 -19.4879 -47.4243 -19.488 10.5607 GPRESSAVG: 2984400 18.8233 -7.71264 -48.9959 -10.9507 34.8807 -20.4922 -47.2996 -22.5833 9.85657 TIMING: 2984400 CPU: 9425.26, 0.0032588/step Wall: 9425.26, 0.0032588/step, 1.82456 hours remaining, 236.164062 MB of memory in use. ENERGY: 2984400 4026.8232 20456.9736 14333.8244 243.4241 -203641.1124 2674.1175 0.0000 0.0000 51814.9018 -110091.0478 297.7810 -161905.9496 -109721.0074 297.9949 -220.9858 -193.4420 762319.1119 21.0997 21.1869 PRESSURE: 2984600 205.864 -39.4503 118.021 -39.4495 -265.999 46.0775 118.02 46.0783 50.0224 GPRESSURE: 2984600 261.898 -92.4039 180.277 -89.9144 -234.112 74.1167 141.638 75.861 56.5282 PRESSAVG: 2984600 25.9025 -47.3115 -54.6989 -47.3115 -64.4304 -76.668 -54.6988 -76.6681 -7.07826 GPRESSAVG: 2984600 25.9082 -47.6298 -54.115 -45.0543 -65.5523 -75.6244 -52.2054 -72.6682 -5.7161 TIMING: 2984600 CPU: 9425.9, 0.00319726/step Wall: 9425.9, 0.00319726/step, 1.78993 hours remaining, 236.367188 MB of memory in use. ENERGY: 2984600 3878.2112 20577.4954 14416.0679 245.0380 -203327.9869 2467.3471 0.0000 0.0000 51841.9913 -109901.8361 297.9366 -161743.8274 -109534.8157 298.0153 -3.3710 28.1046 761875.8015 -15.2021 -15.1201 PRESSURE: 2984800 104.762 39.8718 227.016 39.8728 -100.493 -176.948 227.016 -176.947 155.518 GPRESSURE: 2984800 144.604 26.1231 33.9964 15.4442 -23.9632 -86.9869 89.4017 -224.953 119.274 PRESSAVG: 2984800 29.5397 -3.85927 35.5502 -3.85931 -26.6872 11.906 35.5501 11.906 -2.5449 GPRESSAVG: 2984800 30.5336 -3.20001 35.3873 -5.72778 -26.3934 11.1061 33.5909 10.031 -3.20204 TIMING: 2984800 CPU: 9426.53, 0.0031923/step Wall: 9426.53, 0.00319229/step, 1.78698 hours remaining, 236.367188 MB of memory in use. ENERGY: 2984800 4019.4324 20367.5402 14406.5861 238.1229 -203588.4910 2613.0267 0.0000 0.0000 52031.7858 -109911.9970 299.0274 -161943.7828 -109541.9280 298.3007 53.2624 79.9716 760801.9869 0.1025 0.3127 PRESSURE: 2985000 -34.8728 141.354 116.018 141.354 -74.3902 44.2644 116.019 44.2644 47.0155 GPRESSURE: 2985000 -39.9635 160.579 217.91 -9.60379 -8.99783 146.133 119.309 49.3495 76.4378 PRESSAVG: 2985000 14.3282 -24.1823 39.4922 -24.1824 -0.217116 -36.6975 39.4922 -36.6975 -20.8297 GPRESSAVG: 2985000 13.8122 -24.4 40.9327 -25.6311 1.0455 -34.7868 39.0312 -37.3261 -21.6715 TIMING: 2985000 CPU: 9427.17, 0.00316802/step Wall: 9427.17, 0.00316802/step, 1.77321 hours remaining, 236.425781 MB of memory in use. ENERGY: 2985000 4009.7835 20432.6757 14346.9563 266.3717 -203635.3271 2578.0774 0.0000 0.0000 51920.2204 -110081.2421 298.3862 -162001.4625 -109717.7634 298.7564 -20.7491 9.1588 760744.5493 -2.2395 -2.2713 PRESSURE: 2985200 142.697 -79.3347 -147.265 -79.3349 432.496 -38.2717 -147.265 -38.2717 -170.894 GPRESSURE: 2985200 219.74 -46.8704 -137.693 -86.253 458.946 -91.4855 -92.1579 -153.014 -174.714 PRESSAVG: 2985200 21.5529 17.9631 34.1958 17.963 -19.1805 17.0066 34.1958 17.0065 15.4026 GPRESSAVG: 2985200 21.4342 16.4132 33.5509 19.4881 -20.4344 14.6573 35.51 18.9671 16.2568 TIMING: 2985200 CPU: 9427.81, 0.00318873/step Wall: 9427.81, 0.00318873/step, 1.78463 hours remaining, 236.425781 MB of memory in use. ENERGY: 2985200 3874.8316 20419.2159 14383.2256 266.4371 -203800.0410 2768.0159 0.0000 0.0000 52026.7773 -110061.5378 298.9986 -162088.3150 -109692.4469 298.2322 134.7663 167.9907 761669.5889 5.9250 5.7522 PRESSURE: 2985400 -3.29966 69.2597 27.3036 69.26 -168.346 27.1297 27.3038 27.1295 23.3987 GPRESSURE: 2985400 75.2424 -9.97306 67.3213 120.303 -211 32.9626 -34.209 -20.6275 55.4806 PRESSAVG: 2985400 54.2107 -24.4659 22.0161 -24.466 -27.1754 -25.5759 22.0161 -25.5759 -4.59511 GPRESSAVG: 2985400 52.8044 -24.1812 22.3665 -23.2294 -27.0739 -24.8573 21.1231 -28.7515 -2.75928 TIMING: 2985400 CPU: 9428.44, 0.00317591/step Wall: 9428.44, 0.00317591/step, 1.77727 hours remaining, 236.437500 MB of memory in use. ENERGY: 2985400 3912.0753 20599.6957 14364.9691 206.0534 -203163.2664 2212.9785 0.0000 0.0000 52034.4978 -109832.9965 299.0430 -161867.4943 -109472.0194 298.6769 -49.4157 -26.7591 762692.0666 7.4801 7.6571 PRESSURE: 2985600 -113.372 113.096 -269.981 113.097 -278.248 107.318 -269.981 107.319 -305.234 GPRESSURE: 2985600 -143.178 79.2038 -185.953 54.3351 -165.062 116.973 -204.274 145.349 -302.765 PRESSAVG: 2985600 1.26118 5.45135 -0.524607 5.45134 5.66137 -17.8287 -0.524599 -17.8287 -31.7453 GPRESSAVG: 2985600 3.07757 7.14874 -0.667084 3.62119 5.25659 -18.5144 -0.907835 -15.4936 -32.6926 TIMING: 2985600 CPU: 9429.08, 0.00318531/step Wall: 9429.08, 0.00318531/step, 1.78236 hours remaining, 236.437500 MB of memory in use. ENERGY: 2985600 4018.7534 20453.1489 14314.6438 248.4115 -203358.9316 2496.1339 0.0000 0.0000 52018.5338 -109809.3064 298.9512 -161827.8401 -109440.7381 298.3815 -232.2846 -203.6681 761262.2267 -8.2742 -8.1195 PRESSURE: 2985800 -56.2734 71.9152 125.683 71.9159 -115.907 32.8162 125.684 32.815 57.419 GPRESSURE: 2985800 -103.353 90.0613 174.837 -15.8395 -49.684 62.4805 85.2424 70.9158 122.178 PRESSAVG: 2985800 -10.5911 3.47174 -20.0894 3.47177 -47.5847 1.12058 -20.0894 1.12064 -6.02913 GPRESSAVG: 2985800 -10.5731 0.744284 -21.943 5.10022 -46.5858 1.66799 -18.3016 -0.664083 -7.0654 TIMING: 2985800 CPU: 9429.71, 0.00317896/step Wall: 9429.71, 0.00317896/step, 1.77863 hours remaining, 236.437500 MB of memory in use. ENERGY: 2985800 4084.9978 20687.5242 14334.2036 243.0979 -203430.4279 2661.7142 0.0000 0.0000 51551.8074 -109867.0827 296.2689 -161418.8901 -109504.0175 298.6547 -38.2537 -10.2863 764538.1396 -21.4016 -21.4081 PRESSURE: 2986000 -26.9848 108.924 -228.686 108.924 187.391 -0.408308 -228.685 -0.409364 92.1961 GPRESSURE: 2986000 104.178 160.16 -159.124 91.4108 150.926 53.311 -273.364 88.7926 99.3714 PRESSAVG: 2986000 6.00266 -58.6337 2.46908 -58.6337 -9.1931 -2.89201 2.46908 -2.892 15.0418 GPRESSAVG: 2986000 6.37083 -57.1326 4.43409 -59.7466 -9.69674 -2.07028 -0.89937 -1.58318 15.2322 TIMING: 2986000 CPU: 9430.35, 0.00317308/step Wall: 9430.35, 0.00317308/step, 1.77516 hours remaining, 236.437500 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: 2986000 4071.0645 20560.2320 14324.1773 213.2023 -203347.5608 2523.0875 0.0000 0.0000 51865.2528 -109790.5443 298.0703 -161655.7971 -109420.7713 298.2793 84.2006 118.1584 760869.2240 3.9505 3.9688 PRESSURE: 2986200 -220.136 61.4885 -99.9128 61.4896 52.0221 -137.521 -99.912 -137.52 35.5372 GPRESSURE: 2986200 -211.594 -20.6448 -44.0457 178.862 162.142 -124.665 -140.394 -151.862 22.8657 PRESSAVG: 2986200 33.7054 -0.726487 -6.02748 -0.726523 -0.260243 -41.909 -6.02751 -41.909 0.594808 GPRESSAVG: 2986200 33.2918 -2.15308 -6.70134 0.384296 -0.355901 -41.7081 -4.13033 -42.6368 1.22464 TIMING: 2986200 CPU: 9430.98, 0.00317918/step Wall: 9430.98, 0.00317918/step, 1.7784 hours remaining, 236.437500 MB of memory in use. ENERGY: 2986200 3917.6129 20546.9339 14300.3062 238.6418 -203228.6039 2626.5314 0.0000 0.0000 51966.1855 -109632.3922 298.6504 -161598.5777 -109265.5784 298.5666 -44.1921 -8.8622 761878.5073 11.3466 11.3868 PRESSURE: 2986400 -1.51981 144.882 85.8155 144.882 204.209 -78.6603 85.8158 -78.6611 -434.945 GPRESSURE: 2986400 82.7468 185.861 165.255 79.3759 257.733 -41.5219 98.5921 -163.123 -478.044 PRESSAVG: 2986400 -54.1077 33.4052 -65.5924 33.4052 45.711 -22.3717 -65.5923 -22.3717 0.875234 GPRESSAVG: 2986400 -55.6697 34.3697 -64.6363 33.3295 46.2012 -23.196 -65.4504 -22.2202 1.4504 TIMING: 2986400 CPU: 9431.62, 0.00315375/step Wall: 9431.62, 0.00315375/step, 1.764 hours remaining, 236.437500 MB of memory in use. ENERGY: 2986400 3999.8244 20702.5630 14379.7853 249.8191 -203089.1120 2394.4572 0.0000 0.0000 51853.4420 -109509.2210 298.0024 -161362.6630 -109148.8261 298.9537 -77.4184 -45.8547 761974.7825 -2.5072 -2.6727 PRESSURE: 2986600 17.7014 -13.8814 105.876 -13.8823 -268.209 -205.235 105.876 -205.235 74.9978 GPRESSURE: 2986600 -64.5727 171.431 116.141 40.1113 -105.973 -214.014 87.8673 -161.661 75.2025 PRESSAVG: 2986600 7.85718 60.8971 -17.2403 60.8971 -1.16234 -35.562 -17.2404 -35.562 21.2617 GPRESSAVG: 2986600 8.82705 58.5652 -19.2461 61.7137 -2.44664 -35.4721 -15.8642 -36.5206 21.1343 TIMING: 2986600 CPU: 9432.24, 0.00314674/step Wall: 9432.24, 0.00314674/step, 1.7599 hours remaining, 236.437500 MB of memory in use. ENERGY: 2986600 4005.3346 20394.4268 14374.5316 242.6800 -203541.0040 2561.3251 0.0000 0.0000 52383.0091 -109579.6969 301.0459 -161962.7060 -109207.8511 298.8402 -58.5034 -31.7811 761270.0072 9.3188 9.1716 PRESSURE: 2986800 19.8643 12.9533 -200.039 12.9541 77.6217 -285.39 -200.04 -285.39 -50.4303 GPRESSURE: 2986800 63.7031 105.979 -195.648 59.7483 73.8166 -329.418 -328.514 -228.768 -11.7281 PRESSAVG: 2986800 17.0347 25.2387 -29.688 25.2388 2.41253 -89.9783 -29.688 -89.9783 11.2451 GPRESSAVG: 2986800 17.1538 28.5366 -28.4716 24.2828 2.46665 -89.7795 -30.3922 -89.3852 11.343 TIMING: 2986800 CPU: 9432.88, 0.00316789/step Wall: 9432.88, 0.00316789/step, 1.77155 hours remaining, 236.437500 MB of memory in use. ENERGY: 2986800 3996.3338 20498.7830 14412.0896 237.7010 -203466.9111 2547.7586 0.0000 0.0000 52108.2951 -109665.9501 299.4671 -161774.2451 -109300.6424 299.4108 15.6852 41.9306 760051.1089 10.2308 10.3212 PRESSURE: 2987000 -91.7815 48.9215 -66.0844 48.922 11.4346 17.1215 -66.0842 17.1202 -27.7316 GPRESSURE: 2987000 -100.408 -39.4889 -118.31 -5.7398 105.969 -42.8235 -146.573 57.329 -20.8556 PRESSAVG: 2987000 34.0644 65.3746 -8.43118 65.3747 -31.5655 38.3891 -8.43119 38.3891 -14.1817 GPRESSAVG: 2987000 33.4503 64.9078 -9.1134 63.739 -30.4923 39.5312 -8.28598 37.6843 -14.9114 TIMING: 2987000 CPU: 9433.51, 0.00314905/step Wall: 9433.51, 0.00314905/step, 1.76084 hours remaining, 236.437500 MB of memory in use. ENERGY: 2987000 3995.2370 20485.3702 14394.3872 239.0553 -203356.7273 2608.2024 0.0000 0.0000 52171.5920 -109462.8832 299.8309 -161634.4752 -109093.2528 299.1640 -36.0261 -5.0982 761663.8342 -3.8943 -3.9845 PRESSURE: 2987200 -448.498 56.9016 307.634 56.9016 -0.315907 139.885 307.633 139.886 -27.6928 GPRESSURE: 2987200 -366.099 98.8516 359.341 150.743 57.8747 156.955 171.156 -27.6693 -79.6633 PRESSAVG: 2987200 20.1947 15.6725 -4.97362 15.6725 -13.2205 -37.2848 -4.97358 -37.2849 -5.20444 GPRESSAVG: 2987200 20.1507 15.965 -3.75752 18.7731 -13.7872 -39.5991 -5.85763 -34.9182 -4.58484 TIMING: 2987200 CPU: 9434.14, 0.00315793/step Wall: 9434.14, 0.00315793/step, 1.76563 hours remaining, 236.437500 MB of memory in use. ENERGY: 2987200 3962.8351 20436.7854 14410.2779 254.0367 -203149.6104 2455.1922 0.0000 0.0000 52079.7585 -109550.7247 299.3031 -161630.4832 -109189.7126 299.2065 -158.8355 -129.2959 760975.1195 0.5899 0.5929 PRESSURE: 2987400 -193.774 -281.558 142.77 -281.557 -196.817 32.8929 142.772 32.8931 112.277 GPRESSURE: 2987400 -131.378 -189.208 178.375 -307.698 -99.1627 89.2689 -5.73419 6.92765 49.9631 PRESSAVG: 2987400 -11.5784 -11.6781 2.27212 -11.6782 24.2843 -7.258 2.27207 -7.25806 -13.5608 GPRESSAVG: 2987400 -12.2254 -11.8076 1.13981 -12.3762 25.5758 -7.68668 2.12301 -8.83662 -14.5143 TIMING: 2987400 CPU: 9434.77, 0.0031549/step Wall: 9434.77, 0.0031549/step, 1.76377 hours remaining, 236.437500 MB of memory in use. ENERGY: 2987400 3988.4341 20458.6544 14386.5043 241.8792 -202438.7391 2077.3410 0.0000 0.0000 51981.5586 -109304.3673 298.7387 -161285.9260 -108935.6678 298.7354 -92.7716 -60.1924 763788.9033 -0.2850 -0.3880 PRESSURE: 2987600 279.92 -36.9873 94.3976 -36.9878 -121.764 -186.124 94.3979 -186.124 298.452 GPRESSURE: 2987600 178.944 -90.1674 7.36361 -151.651 62.0111 -204.628 136.7 -81.731 322.677 PRESSAVG: 2987600 12.5384 4.2723 -39.2278 4.27227 -39.6741 -4.50208 -39.2278 -4.5021 7.65385 GPRESSAVG: 2987600 12.1256 3.74426 -39.2629 2.39957 -39.9899 -3.27984 -37.1981 -4.12061 8.72548 TIMING: 2987600 CPU: 9435.4, 0.00314981/step Wall: 9435.4, 0.00314981/step, 1.76074 hours remaining, 236.437500 MB of memory in use. ENERGY: 2987600 3985.5181 20639.0018 14341.4014 232.9650 -203265.7459 2573.5989 0.0000 0.0000 52271.8237 -109221.4370 300.4069 -161493.2607 -108855.8344 299.1726 152.2023 187.8773 762535.8314 -6.4939 -6.3796 PRESSURE: 2987800 71.1606 4.29684 -144.812 4.29702 121.231 149.589 -144.811 149.589 32.7127 GPRESSURE: 2987800 69.0418 33.3625 -224.37 -46.2929 154.311 118.37 -183.423 130.29 68.5658 PRESSAVG: 2987800 73.0431 7.29853 26.216 7.29856 -3.03349 36.6689 26.216 36.6689 11.0516 GPRESSAVG: 2987800 71.3713 7.60822 25.4443 8.52637 -2.87558 35.5874 25.1746 35.8358 12.3583 TIMING: 2987800 CPU: 9436.03, 0.00315537/step Wall: 9436.03, 0.00315537/step, 1.76368 hours remaining, 236.437500 MB of memory in use. ENERGY: 2987800 3955.8823 20577.4285 14404.9631 242.3482 -203404.5226 2640.0260 0.0000 0.0000 52286.9387 -109296.9358 300.4938 -161583.8745 -108931.2350 299.2688 75.0347 97.3062 763041.0852 27.0204 26.9513 PRESSURE: 2988000 300.448 -101.003 175.881 -101.003 110.008 -96.5543 175.881 -96.5538 189.091 GPRESSURE: 2988000 339.413 -20.9094 152.091 -97.7971 99.8873 -25.8295 155.128 -16.2226 253.974 PRESSAVG: 2988000 13.9651 -7.65415 11.1662 -7.65414 -60.5052 -28.6131 11.1663 -28.6131 -1.59616 GPRESSAVG: 2988000 17.3002 -4.43519 11.1691 -8.22926 -62.1289 -28.4592 11.3222 -27.0661 -3.62487 TIMING: 2988000 CPU: 9436.66, 0.0031347/step Wall: 9436.66, 0.0031347/step, 1.75195 hours remaining, 236.437500 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: 2988000 3964.4242 20753.4139 14413.2987 229.7291 -203176.6493 2719.7854 0.0000 0.0000 52020.5263 -109075.4716 298.9627 -161095.9979 -108717.2415 299.4777 199.8489 231.0915 765485.0362 -16.0454 -16.1512 PRESSURE: 2988200 227.338 -40.6959 78.095 -40.6965 356.629 92.0671 78.0949 92.0669 227.918 GPRESSURE: 2988200 212.247 -182.093 67.0537 -36.2756 413.472 41.4584 208.923 172.597 265.385 PRESSAVG: 2988200 11.6116 -13.5837 -23.5986 -13.5837 8.08535 -34.2192 -23.5986 -34.2191 1.01059 GPRESSAVG: 2988200 9.44572 -16.4606 -22.517 -13.3535 7.17146 -34.2971 -23.7971 -35.2366 3.93885 TIMING: 2988200 CPU: 9437.29, 0.00315599/step Wall: 9437.29, 0.003156/step, 1.76368 hours remaining, 236.437500 MB of memory in use. ENERGY: 2988200 3928.0568 20589.0737 14426.8020 241.4296 -203494.5809 2921.7214 0.0000 0.0000 52224.9863 -109162.5110 300.1377 -161387.4973 -108801.5170 299.5883 270.6285 297.0348 762581.4038 6.9025 6.8520 LDB: ============= START OF LOAD BALANCING ============== 9449.82 LDB: ============== END OF LOAD BALANCING =============== 9449.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9449.82 LDB: ============= START OF LOAD BALANCING ============== 9450.14 LDB: Largest compute 7076 load 0.032768 is 16.8% of average load 0.195506 LDB: Average compute 0.004399 is 2.3% of average load 0.195506 LDB: TIME 9450.14 LOAD: AVG 0.195506 MAX 0.214228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.934 MB LDB: TIME 9450.14 LOAD: AVG 0.195506 MAX 0.214228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.004 MB LDB: TIME 9450.14 LOAD: AVG 0.195506 MAX 0.214228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.004 MB LDB: ============== END OF LOAD BALANCING =============== 9450.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9450.15 PRESSURE: 2988400 -159.68 21.2647 -181.625 21.2637 -439.449 -294.314 -181.624 -294.315 -270.871 GPRESSURE: 2988400 -108.828 86.7039 -126.965 -8.17324 -414.086 -211.863 -161.765 -246.826 -259.657 PRESSAVG: 2988400 -10.3397 46.6545 19.3255 46.6545 -31.5258 -27.0742 19.3255 -27.0742 -7.63632 GPRESSAVG: 2988400 -10.6697 45.2152 19.021 46.5326 -30.1613 -26.2062 18.0006 -24.3207 -8.6448 TIMING: 2988400 CPU: 9437.93, 0.0032196/step Wall: 9437.93, 0.0032196/step, 1.79904 hours remaining, 235.703125 MB of memory in use. ENERGY: 2988400 4006.5089 20643.3614 14408.0233 251.4933 -203302.9126 2694.2032 0.0000 0.0000 52068.6365 -109230.6860 299.2392 -161299.3225 -108873.2166 299.7410 -289.9997 -260.8572 762708.3853 -16.5006 -16.4919 PRESSURE: 2988600 177.651 36.6956 -148.226 36.6956 -22.5365 -74.0987 -148.226 -74.0992 422.691 GPRESSURE: 2988600 300.099 23.0596 -46.6656 74.6292 -7.03869 -67.0275 -142.403 -58.6944 373.391 PRESSAVG: 2988600 -7.24534 5.08309 20.0477 5.08312 31.2736 -27.2233 20.0476 -27.2233 6.62819 GPRESSAVG: 2988600 -5.14533 6.06157 19.8026 6.17455 29.837 -27.1345 19.94 -29.4058 5.82685 TIMING: 2988600 CPU: 9438.57, 0.00316713/step Wall: 9438.57, 0.00316713/step, 1.76954 hours remaining, 235.906250 MB of memory in use. ENERGY: 2988600 3930.4793 20441.5534 14372.3007 251.5500 -203579.1508 2973.9907 0.0000 0.0000 52347.9333 -109261.3433 300.8443 -161609.2767 -108892.3553 299.7892 192.6019 222.1506 762599.2552 10.2188 10.1728 PRESSURE: 2988800 10.6902 -69.896 -42.2452 -69.8956 -23.692 65.1201 -42.2448 65.1208 -435.259 GPRESSURE: 2988800 0.579584 -174.829 -17.9291 -78.9686 77.6099 70.5532 -2.5727 104.212 -429.521 PRESSAVG: 2988800 13.8963 1.27479 -2.35002 1.27484 -51.7326 27.6659 -2.3501 27.666 -12.1076 GPRESSAVG: 2988800 12.8104 1.10524 -3.96034 -1.67208 -49.5273 27.3087 0.975337 29.1379 -12.7096 TIMING: 2988800 CPU: 9439.2, 0.00315884/step Wall: 9439.2, 0.00315884/step, 1.76474 hours remaining, 235.906250 MB of memory in use. ENERGY: 2988800 3978.5469 20501.3328 14453.9399 241.5489 -202857.3501 2542.9934 0.0000 0.0000 51960.7259 -109178.2623 298.6190 -161138.9882 -108813.9902 299.6122 -149.4202 -117.1106 764511.3597 -16.6480 -16.4755 PRESSURE: 2989000 -44.0996 7.92854 11.2551 7.92864 273.955 75.7506 11.2551 75.7519 -48.4592 GPRESSURE: 2989000 -72.1463 3.19671 -64.1171 -17.5591 312.161 51.8099 -70.1812 -32.7084 28.0957 PRESSAVG: 2989000 43.2163 -17.6864 -25.7711 -17.6864 -17.9228 0.778922 -25.7711 0.778995 -15.0597 GPRESSAVG: 2989000 41.642 -17.2553 -23.9027 -17.1203 -17.3074 1.06578 -28.2814 -1.75134 -13.9334 TIMING: 2989000 CPU: 9439.83, 0.00315246/step Wall: 9439.83, 0.00315246/step, 1.761 hours remaining, 235.906250 MB of memory in use. ENERGY: 2989000 3988.6740 20612.4700 14346.4176 257.4002 -203406.0389 2788.9199 0.0000 0.0000 52134.7154 -109277.4417 299.6189 -161412.1571 -108922.2192 299.8228 60.4655 89.3702 762248.1082 3.4113 3.4670 PRESSURE: 2989200 -59.6997 36.8952 75.8491 36.8946 -188.09 -195.841 75.8489 -195.842 -412.233 GPRESSURE: 2989200 19.0236 36.5361 110.433 60.975 -186.411 -113.585 24.8302 89.9582 -424.463 PRESSAVG: 2989200 -1.36128 6.58011 23.93 6.58006 -34.6204 -1.1452 23.93 -1.14523 -28.9003 GPRESSAVG: 2989200 -0.858127 6.08233 24.859 5.93864 -36.2214 -0.980738 23.0319 1.1463 -28.6208 TIMING: 2989200 CPU: 9440.46, 0.00315145/step Wall: 9440.46, 0.00315145/step, 1.76026 hours remaining, 235.906250 MB of memory in use. ENERGY: 2989200 3986.1399 20622.8207 14485.7987 252.4439 -202967.1443 2313.3897 0.0000 0.0000 51910.9650 -109395.5865 298.3330 -161306.5514 -109022.0500 298.9537 -220.0073 -197.2837 762107.9806 -21.6273 -21.9001 PRESSURE: 2989400 -265.458 139 74.393 139 249.442 162.386 74.393 162.388 -243.084 GPRESSURE: 2989400 -215.222 145.326 20.3153 106.002 229.843 204.437 71.7489 100.905 -197.288 PRESSAVG: 2989400 -30.3617 31.3679 -3.79294 31.3679 24.139 34.7133 -3.79289 34.7132 5.04026 GPRESSAVG: 2989400 -28.5165 32.2541 -4.36367 32.2363 24.0766 35.4847 -1.63728 34.9974 3.15828 TIMING: 2989400 CPU: 9441.09, 0.00317249/step Wall: 9441.09, 0.00317249/step, 1.77183 hours remaining, 235.906250 MB of memory in use. ENERGY: 2989400 4024.3358 20704.8450 14437.0162 263.7323 -203473.1360 2748.6346 0.0000 0.0000 52310.6168 -108983.9553 300.6298 -161294.5721 -108623.3987 299.6630 -86.3663 -60.8890 761860.8329 -0.3942 -0.4272 PRESSURE: 2989600 197.506 -9.83259 73.7412 -9.83266 75.2635 -112.863 73.7406 -112.862 306.292 GPRESSURE: 2989600 202.069 -19.3225 1.52618 147.974 103.954 -102.745 38.2264 -89.2025 343.34 PRESSAVG: 2989600 -17.5304 -10.3719 2.86251 -10.3719 -6.35682 -4.67061 2.86245 -4.67068 -5.13869 GPRESSAVG: 2989600 -18.8754 -12.6785 1.37287 -9.35152 -5.71059 -4.03944 3.35189 -7.15218 -4.27713 TIMING: 2989600 CPU: 9441.73, 0.00316579/step Wall: 9441.73, 0.00316579/step, 1.76792 hours remaining, 235.906250 MB of memory in use. ENERGY: 2989600 4063.6200 20516.9356 14500.9876 224.7069 -203463.0072 2784.8663 0.0000 0.0000 52217.2557 -109154.6352 300.0933 -161371.8908 -108804.6121 300.3578 193.0204 216.4540 760734.2006 -9.6753 -9.6210 PRESSURE: 2989800 -72.7466 45.7732 20.2257 45.7725 -200.227 51.5986 20.2243 51.5976 -37.3878 GPRESSURE: 2989800 -15.2621 107.192 27.4283 151.602 -139.447 19.7604 10.4232 32.7722 -60.6198 PRESSAVG: 2989800 -26.2277 -26.01 -25.4784 -26.01 -20.4699 28.035 -25.4784 28.035 14.5233 GPRESSAVG: 2989800 -25.7239 -23.4409 -25.4167 -25.3148 -20.6695 27.0801 -25.8091 27.2035 14.4887 TIMING: 2989800 CPU: 9442.36, 0.0031557/step Wall: 9442.36, 0.0031557/step, 1.76211 hours remaining, 235.906250 MB of memory in use. ENERGY: 2989800 3975.2029 20556.8440 14401.2648 232.1808 -203090.2752 2367.8625 0.0000 0.0000 52186.0511 -109370.8690 299.9140 -161556.9201 -109011.2835 299.9255 -103.4538 -71.7765 761320.4604 -10.7248 -10.6349 PRESSURE: 2990000 -71.5424 78.6832 26.6892 78.6821 160.281 -146.632 26.6896 -146.632 120.456 GPRESSURE: 2990000 -88.4957 95.8064 5.2365 27.4189 229.217 -44.5461 81.8862 -87.7723 151.639 PRESSAVG: 2990000 -41.0405 -23.0059 -19.5493 -23.006 59.5437 28.8276 -19.5492 28.8276 -11.847 GPRESSAVG: 2990000 -41.6165 -23.9603 -17.9576 -23.342 59.1409 30.8378 -20.3951 29.4146 -11.5123 TIMING: 2990000 CPU: 9442.99, 0.00315479/step Wall: 9442.99, 0.00315479/step, 1.76142 hours remaining, 235.906250 MB of memory 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 3970.4432 20453.2980 14414.9226 248.6510 -203187.2799 2563.7350 0.0000 0.0000 52268.9678 -109267.2624 300.3905 -161536.2302 -108905.0004 299.6085 69.7314 97.4535 762188.8973 2.2187 2.0040 PRESSURE: 2990200 275.415 -47.1899 -76.9558 -47.1893 -65.639 119.738 -76.9561 119.738 330.73 GPRESSURE: 2990200 207.648 -232.629 -25.6839 -60.2929 28.9417 146.103 -75.9466 -23.8184 368.361 PRESSAVG: 2990200 -18.1344 41.2854 -0.295622 41.2854 -53.6593 -55.6593 -0.295621 -55.6592 23.1992 GPRESSAVG: 2990200 -18.2258 42.5672 -0.413285 38.4682 -53.5263 -56.9163 -1.17118 -54.3429 23.2244 TIMING: 2990200 CPU: 9443.62, 0.00313645/step Wall: 9443.62, 0.00313645/step, 1.75101 hours remaining, 235.906250 MB of memory in use. ENERGY: 2990200 4031.9766 20282.4908 14486.7319 248.8844 -203540.6250 3014.0047 0.0000 0.0000 52077.5031 -109399.0335 299.2901 -161476.5366 -109038.5391 299.6788 180.1687 201.6503 762830.7157 -16.1982 -16.1759 PRESSURE: 2990400 187.745 -84.8922 30.0322 -84.8937 302.613 -295.272 30.0324 -295.272 261.628 GPRESSURE: 2990400 199.499 -108.541 69.2733 -169.608 378.076 -278.025 113.439 -232.043 261.797 PRESSAVG: 2990400 -31.2407 -9.07261 5.29637 -9.0726 -9.19125 23.3176 5.29637 23.3177 -3.68497 GPRESSAVG: 2990400 -31.2992 -10.573 3.75317 -7.52259 -8.79734 25.3346 7.22425 21.7634 -4.63558 TIMING: 2990400 CPU: 9444.24, 0.0031392/step Wall: 9444.24, 0.0031392/step, 1.75237 hours remaining, 235.906250 MB of memory in use. ENERGY: 2990400 3905.8249 20502.6093 14348.2289 249.4767 -203478.7258 2665.1140 0.0000 0.0000 52323.2695 -109484.2025 300.7025 -161807.4720 -109120.8639 299.2489 250.6624 279.7907 761504.3572 -14.7056 -14.9107 PRESSURE: 2990600 218.184 184.46 -414.185 184.459 150.101 -40.7374 -414.185 -40.7375 104.343 GPRESSURE: 2990600 173.625 158.661 -313.389 190.007 189.111 -21.2521 -346.629 12.2902 204.555 PRESSAVG: 2990600 27.609 -7.50701 30.8998 -7.507 -44.5441 -40.0563 30.8997 -40.0562 8.18451 GPRESSAVG: 2990600 27.4015 -8.56116 33.0918 -6.5782 -44.6875 -41.1734 31.0887 -38.6861 8.42971 TIMING: 2990600 CPU: 9444.88, 0.00315452/step Wall: 9444.88, 0.00315452/step, 1.76075 hours remaining, 235.906250 MB of memory in use. ENERGY: 2990600 4013.0581 20558.8023 14424.8894 229.1384 -203128.2997 2484.7833 0.0000 0.0000 51892.5340 -109525.0943 298.2271 -161417.6283 -109173.4873 299.2285 157.5425 189.0968 762307.9122 -2.9169 -2.9521 PRESSURE: 2990800 177.652 -82.1654 -166.241 -82.1641 59.9487 242.987 -166.24 242.987 193.316 GPRESSURE: 2990800 192.105 -96.5066 -207.042 -92.6625 109.294 310.618 -246.52 116.495 195.104 PRESSAVG: 2990800 -9.63872 -2.55177 22.3312 -2.55175 -1.22598 17.6472 22.3312 17.6472 0.198328 GPRESSAVG: 2990800 -9.61664 -2.11201 22.1488 -0.534927 0.0616958 18.2337 21.3444 18.9758 -0.325127 TIMING: 2990800 CPU: 9445.51, 0.00315785/step Wall: 9445.51, 0.00315785/step, 1.76243 hours remaining, 235.906250 MB of memory in use. ENERGY: 2990800 3979.6504 20685.7529 14373.0661 277.4996 -203494.6542 2739.4096 0.0000 0.0000 51993.7455 -109445.5301 298.8088 -161439.2756 -109093.6821 299.6230 143.6389 165.5012 760682.3021 -3.5555 -3.2934 PRESSURE: 2991000 135.895 0.956731 -13.5209 0.956419 116.612 -133.583 -13.521 -133.582 131.943 GPRESSURE: 2991000 157.169 -10.8431 12.4903 -48.7581 149.731 -246.404 -9.76305 -113.205 170.889 PRESSAVG: 2991000 33.4125 -32.6384 -55.7906 -32.6384 -18.4052 25.5828 -55.7907 25.5829 -2.09162 GPRESSAVG: 2991000 33.2894 -32.8956 -57.6871 -35.1201 -19.7401 24.7571 -54.6613 23.0555 -0.499844 TIMING: 2991000 CPU: 9446.14, 0.00318491/step Wall: 9446.14, 0.0031849/step, 1.77735 hours remaining, 235.906250 MB of memory in use. ENERGY: 2991000 4033.6762 20501.5245 14384.4404 252.1833 -203057.1786 2681.2050 0.0000 0.0000 51838.5560 -109365.5931 297.9169 -161204.1491 -108998.6641 299.4163 128.1500 159.2632 762006.6320 4.3052 4.3498 PRESSURE: 2991200 -232.015 -166.112 -218.156 -166.112 -62.8108 -27.1938 -218.155 -27.1931 -56.2989 GPRESSURE: 2991200 -177.832 -117.361 -198.552 -41.5995 2.34293 51.0792 -259.586 -41.2955 -70.2133 PRESSAVG: 2991200 1.49374 -0.311596 11.1971 -0.311687 15.4428 -35.9288 11.197 -35.9288 18.258 GPRESSAVG: 2991200 2.13115 0.873365 11.9397 1.28062 15.4473 -35.3342 9.80189 -35.8879 17.4137 TIMING: 2991200 CPU: 9446.78, 0.00316362/step Wall: 9446.78, 0.00316361/step, 1.7653 hours remaining, 235.906250 MB of memory in use. ENERGY: 2991200 4025.8670 20402.5585 14349.6511 241.4227 -203017.4897 2440.3019 0.0000 0.0000 52186.3450 -109371.3434 299.9156 -161557.6884 -109005.0337 299.5692 -117.0414 -81.9009 762021.8988 11.7315 11.6640 PRESSURE: 2991400 483.528 58.8546 8.6165 58.8544 312.884 76.1639 8.61652 76.1635 297.702 GPRESSURE: 2991400 465.127 15.6069 22.2326 -106.898 462.865 18.2432 40.471 105.832 248.769 PRESSAVG: 2991400 -20.4262 29.6529 -9.82527 29.6529 -32.0192 -20.9418 -9.8252 -20.9418 -11.2407 GPRESSAVG: 2991400 -21.4339 29.0615 -9.65292 29.4131 -32.1001 -20.2203 -8.52453 -21.5454 -10.663 TIMING: 2991400 CPU: 9447.41, 0.00317891/step Wall: 9447.41, 0.00317892/step, 1.77366 hours remaining, 235.906250 MB of memory in use. ENERGY: 2991400 3964.9511 20381.2776 14411.8506 247.8126 -203238.8691 2651.5555 0.0000 0.0000 52252.8819 -109328.5399 300.2980 -161581.4218 -108968.7411 299.5009 364.7050 392.2535 762121.2726 -21.2287 -21.3990 PRESSURE: 2991600 -121.994 -49.1795 73.5906 -49.1793 -135.029 95.9886 73.5901 95.9889 -162.083 GPRESSURE: 2991600 -91.8324 -171.477 40.4141 -101.647 -92.8133 89.3964 1.51063 114.137 -171.195 PRESSAVG: 2991600 -7.53986 6.59719 -22.4408 6.59716 -10.9299 10.4081 -22.4408 10.4081 6.10141 GPRESSAVG: 2991600 -7.83622 8.20243 -21.7823 5.23839 -9.62551 10.0906 -22.6071 10.8817 5.3628 TIMING: 2991600 CPU: 9448.05, 0.00316406/step Wall: 9448.05, 0.00316406/step, 1.76519 hours remaining, 235.906250 MB of memory in use. ENERGY: 2991600 3929.1601 20456.9278 14388.6503 258.2636 -203012.0547 2461.7973 0.0000 0.0000 52252.4697 -109264.7859 300.2957 -161517.2556 -108899.0582 299.5688 -139.7019 -118.6134 763209.3984 -4.1228 -4.0330 PRESSURE: 2991800 -45.229 81.7261 332.533 81.7263 68.6144 119.315 332.532 119.316 -30.2782 GPRESSURE: 2991800 27.6412 159.92 244.505 27.5319 131.43 149.722 241.778 225.032 -63.9488 PRESSAVG: 2991800 -44.2441 -6.40186 -21.5476 -6.40184 47.2301 0.320979 -21.5477 0.321041 7.66164 GPRESSAVG: 2991800 -42.3059 -7.93408 -20.3281 -7.56287 45.5501 0.929546 -22.1164 0.772622 7.78925 TIMING: 2991800 CPU: 9448.68, 0.00317609/step Wall: 9448.68, 0.00317608/step, 1.77173 hours remaining, 235.906250 MB of memory in use. ENERGY: 2991800 3928.5709 20500.9095 14371.3336 254.6971 -202717.5420 2327.6238 0.0000 0.0000 52132.0811 -109202.3259 299.6038 -161334.4070 -108840.1558 299.5197 -2.2976 31.7074 761224.5420 3.5492 3.6778 PRESSURE: 2992000 -102.16 4.64246 74.4039 4.643 -156.569 -71.118 74.4044 -71.1173 -90.5424 GPRESSURE: 2992000 24.0399 15.1958 66.865 84.2805 -176.751 -148.842 167.652 -71.4522 -85.6596 PRESSAVG: 2992000 -28.2864 18.813 22.1195 18.813 -16.8977 -41.8551 22.1195 -41.8551 -1.59895 GPRESSAVG: 2992000 -28.2166 18.8704 19.8548 21.1809 -17.7231 -43.9954 22.1463 -42.3169 -1.37778 TIMING: 2992000 CPU: 9449.31, 0.00316515/step Wall: 9449.31, 0.00316515/step, 1.76545 hours remaining, 235.906250 MB of memory 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 4010.0175 20511.5229 14290.6472 227.7395 -202937.5069 2412.4343 0.0000 0.0000 52446.1461 -109038.9993 301.4087 -161485.1454 -108685.9182 299.9560 -116.4239 -79.4568 763330.9061 -15.5943 -15.7725 PRESSURE: 2992200 -305.401 74.5877 145.64 74.587 -343.203 -3.18888 145.64 -3.18773 -224.101 GPRESSURE: 2992200 -275.054 35.6677 116.468 63.7262 -237.21 59.5854 65.326 4.85273 -272.091 PRESSAVG: 2992200 -11.9115 -41.9628 -19.0249 -41.9627 15.2785 -9.84516 -19.0249 -9.84515 18.3507 GPRESSAVG: 2992200 -13.3026 -40.6247 -18.6308 -42.4536 15.4662 -9.08116 -17.0673 -9.74061 19.1745 TIMING: 2992200 CPU: 9449.95, 0.00319136/step Wall: 9449.95, 0.00319136/step, 1.77989 hours remaining, 235.906250 MB of memory in use. ENERGY: 2992200 4007.4614 20531.1680 14303.9056 236.9914 -202813.4803 2425.9092 0.0000 0.0000 52063.5156 -109244.5293 299.2097 -161308.0448 -108880.9235 299.8668 -290.9019 -261.4516 764577.3552 7.2392 7.1127 LDB: ============= START OF LOAD BALANCING ============== 9462.49 LDB: ============== END OF LOAD BALANCING =============== 9462.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9462.49 LDB: ============= START OF LOAD BALANCING ============== 9462.81 LDB: Largest compute 7048 load 0.030447 is 15.6% of average load 0.195482 LDB: Average compute 0.004415 is 2.3% of average load 0.195482 LDB: TIME 9462.81 LOAD: AVG 0.195482 MAX 0.214328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 9462.81 LOAD: AVG 0.195482 MAX 0.214328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 9462.81 LOAD: AVG 0.195482 MAX 0.214328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 9462.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9462.82 PRESSURE: 2992400 -456.754 101.54 -251.948 101.54 -550.077 -77.6581 -251.948 -77.6584 -15.0879 GPRESSURE: 2992400 -342.426 169.658 -201.06 119.682 -459.553 -60.9611 -285.184 -129.219 -144.646 PRESSAVG: 2992400 21.7943 -42.2976 15.358 -42.2976 -20.6642 -25.3143 15.3579 -25.3142 8.38258 GPRESSAVG: 2992400 23.0543 -42.5828 16.4704 -44.8247 -20.4764 -24.9533 12.1723 -24.1491 7.06331 TIMING: 2992400 CPU: 9450.6, 0.00325284/step Wall: 9450.6, 0.00325284/step, 1.814 hours remaining, 235.929688 MB of memory in use. ENERGY: 2992400 4012.6093 20505.7825 14361.0007 240.3160 -203393.3237 2465.8874 0.0000 0.0000 52218.6651 -109589.0626 300.1014 -161807.7278 -109229.3909 299.0334 -340.6394 -315.5414 762798.2591 3.1709 3.2137 PRESSURE: 2992600 -35.0592 -90.0669 -4.39646 -90.0675 -41.9097 -33.0949 -4.39693 -33.0958 -12.6158 GPRESSURE: 2992600 -63.5375 -146.644 -57.7876 -5.39839 45.2555 -177.318 -15.9317 -112.419 5.74198 PRESSAVG: 2992600 30.814 13.2163 -25.3084 13.2163 -90.1296 -23.6818 -25.3084 -23.6818 8.41395 GPRESSAVG: 2992600 30.0877 13.3526 -25.5088 15.2155 -90.4216 -23.9973 -25.1183 -26.235 9.18411 TIMING: 2992600 CPU: 9451.24, 0.00317495/step Wall: 9451.24, 0.00317495/step, 1.77039 hours remaining, 236.000000 MB of memory in use. ENERGY: 2992600 3991.7714 20392.7500 14333.9201 232.3359 -203174.5895 2567.7482 0.0000 0.0000 52040.9559 -109615.1081 299.0801 -161656.0640 -109259.5073 299.0762 -29.8616 -4.1800 761608.4158 -16.9672 -17.0499 PRESSURE: 2992800 -105.068 -107.514 -40.6257 -107.514 -295.703 161.261 -40.6259 161.259 -213.856 GPRESSURE: 2992800 -29.0686 60.7517 -140.658 -99.7689 -259.963 191.171 -66.6351 212.835 -242.564 PRESSAVG: 2992800 37.5703 -30.5144 -45.4852 -30.5144 -65.1169 -11.1741 -45.4851 -11.1742 -4.98039 GPRESSAVG: 2992800 37.2957 -29.8925 -46.3065 -31.7632 -64.7785 -11.5013 -44.8057 -9.06997 -5.22563 TIMING: 2992800 CPU: 9451.87, 0.00316583/step Wall: 9451.87, 0.00316583/step, 1.76513 hours remaining, 236.000000 MB of memory in use. ENERGY: 2992800 3929.0556 20567.8753 14348.6857 242.0159 -203467.4431 2606.5581 0.0000 0.0000 52036.7037 -109736.5489 299.0557 -161773.2526 -109377.5742 298.3955 -204.8759 -177.1985 762022.6387 -10.8423 -10.9028 PRESSURE: 2993000 -229.222 -159.309 173.723 -159.309 250.014 190.305 173.723 190.305 98.9908 GPRESSURE: 2993000 -88.3553 -181.999 189.828 -254.097 243.664 176.885 243.752 205.344 58.3608 PRESSAVG: 2993000 24.2585 -58.2698 -2.98707 -58.2699 -45.9122 -12.9326 -2.9871 -12.9325 -7.29334 GPRESSAVG: 2993000 24.6237 -59.8246 -2.0224 -58.5806 -46.4266 -10.2701 -2.58378 -14.3825 -7.26124 TIMING: 2993000 CPU: 9452.5, 0.0031667/step Wall: 9452.5, 0.0031667/step, 1.76544 hours remaining, 236.234375 MB of memory in use. ENERGY: 2993000 4027.7264 20480.7854 14353.1419 243.4244 -203347.8031 2551.3139 0.0000 0.0000 52051.5116 -109639.8995 299.1408 -161691.4111 -109282.8639 298.9551 39.9275 71.2230 762174.9231 -9.6490 -9.6880 PRESSURE: 2993200 -123.456 14.0974 -261.187 14.0976 -0.573608 -96.7366 -261.187 -96.7368 -218.484 GPRESSURE: 2993200 -34.0173 -69.7522 -299.801 134.347 8.21636 -50.0067 -205.691 -150.729 -232.963 PRESSAVG: 2993200 1.58843 -10.9904 -5.7982 -10.9903 11.9579 -12.5602 -5.79817 -12.5602 -16.4016 GPRESSAVG: 2993200 0.662019 -10.3984 -7.06197 -9.3191 13.0167 -13.5833 -4.21563 -12.3694 -16.902 TIMING: 2993200 CPU: 9453.14, 0.00315592/step Wall: 9453.14, 0.00315592/step, 1.75925 hours remaining, 236.234375 MB of memory in use. ENERGY: 2993200 4019.7387 20454.5764 14285.2718 260.6823 -203232.6928 2460.3722 0.0000 0.0000 52201.8855 -109550.1658 300.0050 -161752.0513 -109185.7042 299.2348 -114.1711 -86.2547 762682.5860 -0.9518 -1.0744 PRESSURE: 2993400 115.061 163.451 -91.6515 163.45 -50.4129 3.08773 -91.6517 3.08827 503.991 GPRESSURE: 2993400 175.843 149.24 -66.0028 59.3148 -93.1781 72.2657 -138.73 28.3219 580.788 PRESSAVG: 2993400 32.8946 12.6822 -5.27028 12.6822 -36.4564 -33.217 -5.27025 -33.217 9.26043 GPRESSAVG: 2993400 33.2003 13.4862 -5.12806 11.8676 -38.5229 -33.888 -5.32545 -32.6664 10.6821 TIMING: 2993400 CPU: 9453.77, 0.00316259/step Wall: 9453.77, 0.00316259/step, 1.76279 hours remaining, 236.234375 MB of memory in use. ENERGY: 2993400 3977.2585 20563.8956 14335.6726 251.6432 -203852.9973 3131.0437 0.0000 0.0000 51997.1135 -109596.3702 298.8281 -161593.4837 -109234.9750 299.3889 189.5463 221.1509 762720.2986 1.8995 1.7865 PRESSURE: 2993600 -19.4273 52.6223 7.54183 52.6224 241.875 83.6925 7.54226 83.6937 -236.03 GPRESSURE: 2993600 -71.6512 -12.8556 -5.04755 31.976 309.962 88.9335 -1.2689 117.6 -183.106 PRESSAVG: 2993600 -10.8572 -32.7626 40.0504 -32.7626 9.8545 21.5724 40.0504 21.5724 4.76534 GPRESSAVG: 2993600 -11.4909 -33.6074 41.3475 -33.6978 10.7313 21.094 40.3622 22.5401 4.51807 TIMING: 2993600 CPU: 9454.4, 0.00315719/step Wall: 9454.4, 0.0031572/step, 1.75961 hours remaining, 236.234375 MB of memory in use. ENERGY: 2993600 3971.5348 20663.0123 14378.0880 258.1943 -203631.4436 2784.9166 0.0000 0.0000 52058.6703 -109517.0273 299.1819 -161575.6976 -109153.9196 299.1726 -4.5274 18.4017 760209.3249 1.2542 1.2528 PRESSURE: 2993800 -199.148 3.05231 132.97 3.05262 -219.715 -275.08 132.97 -275.081 16.5047 GPRESSURE: 2993800 -202.02 14.6707 56.0516 -48.4127 -189.131 -223.886 151.191 -163.919 92.0325 PRESSAVG: 2993800 13.6413 -1.09484 -18.187 -1.09479 -11.7365 32.4882 -18.1869 32.4882 10.9219 GPRESSAVG: 2993800 14.9758 -0.25409 -19.0928 -0.571211 -12.0054 32.3994 -19.4786 31.7244 10.2251 TIMING: 2993800 CPU: 9455.03, 0.00316664/step Wall: 9455.03, 0.00316664/step, 1.7647 hours remaining, 236.304688 MB of memory in use. ENERGY: 2993800 4074.6591 20431.2581 14295.0673 264.6254 -203123.3754 2379.5137 0.0000 0.0000 52183.5974 -109494.6543 299.8999 -161678.2517 -109141.1416 299.5710 -134.1195 -99.7062 761977.5568 4.2756 4.3985 PRESSURE: 2994000 141.085 32.0423 -44.37 32.0421 172.572 74.0867 -44.3708 74.088 73.3671 GPRESSURE: 2994000 170.253 18.1124 -59.0525 60.7516 186.526 72.6709 -55.4474 -3.49661 118.27 PRESSAVG: 2994000 -32.088 -3.38174 -36.9851 -3.38178 6.14598 -31.478 -36.9851 -31.4781 -3.98546 GPRESSAVG: 2994000 -31.2964 -2.1841 -36.6967 -3.73463 6.92323 -31.8585 -37.0971 -31.606 -5.2561 TIMING: 2994000 CPU: 9455.67, 0.00317785/step Wall: 9455.67, 0.00317785/step, 1.77077 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: 2994000 3997.7665 20523.8212 14358.6549 255.1074 -203425.8395 2532.8855 0.0000 0.0000 52004.7028 -109752.9012 298.8717 -161757.6040 -109376.7001 299.1376 129.0079 158.3495 760274.3856 -9.9758 -9.8764 PRESSURE: 2994200 -468.227 -23.7541 76.4872 -23.7545 -542.552 53.585 76.4872 53.5843 -238.322 GPRESSURE: 2994200 -438.895 15.0507 -5.14034 22.3054 -480.515 127.344 235.28 31.946 -236.094 PRESSAVG: 2994200 60.0418 19.9072 12.6127 19.9072 -20.4539 9.01558 12.6127 9.01564 -2.53566 GPRESSAVG: 2994200 58.3778 17.8978 12.6324 21.889 -20.5315 10.8968 12.321 12.0614 -1.0849 TIMING: 2994200 CPU: 9456.3, 0.00315121/step Wall: 9456.3, 0.00315121/step, 1.75575 hours remaining, 236.304688 MB of memory in use. ENERGY: 2994200 3946.0916 20635.3794 14363.9601 219.7688 -203194.8719 2408.7702 0.0000 0.0000 52130.8948 -109490.0070 299.5970 -161620.9017 -109118.5647 298.9047 -416.3668 -385.1683 761832.0732 12.3507 12.2538 PRESSURE: 2994400 -37.5827 196.988 61.6925 196.988 109.492 -206.826 61.6921 -206.827 59.8911 GPRESSURE: 2994400 32.6166 84.4442 22.6378 277.773 75.2625 -31.1549 54.9795 -225.232 111.56 PRESSAVG: 2994400 27.3265 8.82355 22.5608 8.82357 -25.5357 -1.29437 22.5609 -1.29438 -0.905157 GPRESSAVG: 2994400 28.6444 10.128 22.7 9.39367 -26.1265 -3.04687 23.4977 -3.09591 -1.12478 TIMING: 2994400 CPU: 9456.93, 0.00316056/step Wall: 9456.93, 0.00316056/step, 1.76079 hours remaining, 236.304688 MB of memory in use. ENERGY: 2994400 3954.8929 20581.4260 14460.4047 230.4501 -203550.9430 2690.4371 0.0000 0.0000 51966.6914 -109666.6408 298.6533 -161633.3321 -109312.4491 299.1547 43.9334 73.1464 761460.8082 0.2952 0.4644 PRESSURE: 2994600 -146.609 -188.646 46.7721 -188.646 -456.129 -88.3784 46.7723 -88.3797 -378.138 GPRESSURE: 2994600 -129.734 -50.8463 0.405196 -112.444 -413.357 -39.9946 19.3805 75.9522 -357.43 PRESSAVG: 2994600 -6.86696 22.7811 -25.4348 22.7811 12.2936 48.9507 -25.4348 48.9507 -14.58 GPRESSAVG: 2994600 -8.3254 22.4978 -26.0284 20.8791 13.0647 51.0423 -26.3305 47.1702 -14.249 TIMING: 2994600 CPU: 9457.57, 0.00317593/step Wall: 9457.57, 0.00317593/step, 1.76917 hours remaining, 236.304688 MB of memory in use. ENERGY: 2994600 3940.6152 20502.1627 14392.0042 247.7235 -202845.2889 1992.7126 0.0000 0.0000 51963.2426 -109806.8281 298.6335 -161770.0707 -109442.2722 298.7802 -326.9587 -300.1739 761415.9610 -3.0511 -3.1699 PRESSURE: 2994800 -5.70157 119.421 -7.20208 119.422 -247.744 -75.8101 -7.20185 -75.8113 77.7963 GPRESSURE: 2994800 -21.9867 75.8731 -21.8899 96.6403 -194.803 -94.6622 -55.8291 -113.643 117.506 PRESSAVG: 2994800 39.9677 35.618 -52.1404 35.618 -5.57411 2.7248 -52.1404 2.72474 11.2184 GPRESSAVG: 2994800 40.6712 36.0186 -51.9344 35.9148 -6.19997 -1.14376 -52.125 5.18825 11.2661 TIMING: 2994800 CPU: 9458.2, 0.00317/step Wall: 9458.2, 0.00317/step, 1.76569 hours remaining, 236.304688 MB of memory in use. ENERGY: 2994800 4002.6597 20537.4627 14392.4622 252.6711 -203194.2306 2296.2070 0.0000 0.0000 52042.9996 -109669.7683 299.0918 -161712.7679 -109304.1802 298.9741 -58.5497 -33.0945 761218.2312 15.2040 15.2458 PRESSURE: 2995000 62.0196 71.7114 112.926 71.7117 -22.2014 117.397 112.925 117.396 -117.282 GPRESSURE: 2995000 9.76301 30.0368 119.528 22.8861 89.2687 156.189 33.4832 55.0602 -77.7054 PRESSAVG: 2995000 -11.0057 31.4563 -86.0259 31.4563 37.6123 -22.162 -86.0259 -22.1621 7.18286 GPRESSAVG: 2995000 -9.2425 31.0857 -87.4421 31.8143 36.7445 -20.5309 -86.7607 -23.4448 6.79337 TIMING: 2995000 CPU: 9458.83, 0.00317144/step Wall: 9458.83, 0.00317144/step, 1.76631 hours remaining, 236.304688 MB of memory in use. ENERGY: 2995000 3947.8096 20527.5833 14419.1848 218.8374 -203654.0888 2488.2988 0.0000 0.0000 52091.3174 -109961.0575 299.3695 -162052.3750 -109593.0239 298.4975 -25.8214 7.1088 759731.6812 11.2631 11.4318 PRESSURE: 2995200 -9.80289 -16.4423 -98.4334 -16.4423 61.6681 -178.426 -98.4332 -178.425 46.5714 GPRESSURE: 2995200 -64.9637 -6.42483 -60.0359 38.1229 158.682 -170.17 4.41189 -214.665 91.4189 PRESSAVG: 2995200 56.3179 -26.3332 -30.612 -26.3333 -35.2086 -49.284 -30.612 -49.284 7.3595 GPRESSAVG: 2995200 54.2463 -24.8999 -29.19 -27.9592 -33.0412 -49.1532 -27.2731 -49.6818 7.63245 TIMING: 2995200 CPU: 9459.47, 0.00315976/step Wall: 9459.47, 0.00315976/step, 1.75963 hours remaining, 236.304688 MB of memory in use. ENERGY: 2995200 3990.7048 20557.6488 14314.4007 235.4113 -203567.5754 2549.7459 0.0000 0.0000 51705.8970 -110213.7670 297.1545 -161919.6639 -109859.3973 298.6628 32.8122 61.7124 758398.0265 9.4896 9.6125 PRESSURE: 2995400 -252.317 -1.8538 82.5363 -1.85304 -91.7425 88.7981 82.5361 88.7982 42.32 GPRESSURE: 2995400 -196.924 -8.20089 81.1143 94.5813 -106.433 79.253 155.385 2.93117 88.1572 PRESSAVG: 2995400 -71.5032 18.36 -57.2896 18.36 77.3722 -8.64664 -57.2895 -8.64657 2.50112 GPRESSAVG: 2995400 -70.5928 17.2378 -56.6742 21.6172 76.8838 -8.42155 -60.136 -6.97743 2.10249 TIMING: 2995400 CPU: 9460.1, 0.003175/step Wall: 9460.1, 0.003175/step, 1.76795 hours remaining, 236.304688 MB of memory in use. ENERGY: 2995400 3969.6151 20451.5339 14290.2746 237.9031 -203586.8275 2798.2076 0.0000 0.0000 51779.7311 -110059.5621 297.5788 -161839.2933 -109695.0409 298.4232 -100.5797 -71.7330 760844.8653 2.7900 2.7978 PRESSURE: 2995600 -114.965 115.961 53.2287 115.962 51.4396 -46.0032 53.2284 -46.0034 409.184 GPRESSURE: 2995600 -87.5603 163.452 4.94914 190.333 111.94 -61.6768 104.851 -160.64 408.292 PRESSAVG: 2995600 -57.0044 21.8115 11.4773 21.8114 5.93795 0.726255 11.4772 0.726237 8.88814 GPRESSAVG: 2995600 -57.8195 22.1527 12.0088 19.0319 6.11821 1.37011 11.8685 -1.38104 9.47017 TIMING: 2995600 CPU: 9460.73, 0.00316407/step Wall: 9460.73, 0.00316407/step, 1.76169 hours remaining, 236.304688 MB of memory in use. ENERGY: 2995600 3985.6603 20375.8659 14275.8969 223.2564 -203210.0677 2511.3996 0.0000 0.0000 51877.7387 -109960.2498 298.1421 -161837.9885 -109606.5823 298.6970 115.2195 144.2240 762583.6148 -14.0595 -14.0770 PRESSURE: 2995800 -96.4902 127.274 69.5444 127.274 -304.488 -66.3916 69.5438 -66.3907 -283.222 GPRESSURE: 2995800 10.7048 45.1227 93.5559 59.9684 -376.411 21.1809 -91.1738 -102.416 -230.822 PRESSAVG: 2995800 32.1885 -37.9533 8.89571 -37.9533 -35.0685 -58.5898 8.89569 -58.5898 32.4762 GPRESSAVG: 2995800 33.7459 -39.5033 6.98739 -36.2901 -35.7484 -57.6617 8.97527 -56.7488 32.6147 TIMING: 2995800 CPU: 9461.37, 0.00316824/step Wall: 9461.37, 0.00316824/step, 1.76383 hours remaining, 236.304688 MB of memory in use. ENERGY: 2995800 4021.0006 20521.1811 14255.8128 237.2314 -202841.9029 2019.1934 0.0000 0.0000 51823.3220 -109964.1616 297.8293 -161787.4836 -109605.9784 298.3361 -228.0667 -198.8426 762661.2870 9.8654 10.2041 PRESSURE: 2996000 -162.286 -8.1519 81.6699 -8.15225 -171.108 96.8186 81.6703 96.8195 113.525 GPRESSURE: 2996000 -112.544 44.4229 67.9622 -49.0537 -76.8311 30.9827 106.503 -26.5885 35.6617 PRESSAVG: 2996000 -47.6193 -14.6051 -6.32106 -14.6051 25.6689 7.65719 -6.32111 7.65718 -20.3784 GPRESSAVG: 2996000 -49.1049 -13.2297 -5.63673 -15.6512 27.259 6.83507 -6.77455 7.35048 -20.2748 TIMING: 2996000 CPU: 9462, 0.00317671/step Wall: 9462, 0.00317671/step, 1.76837 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: 2996000 3984.0157 20578.8677 14330.0728 246.1738 -203487.8685 2413.3168 0.0000 0.0000 52058.1638 -109877.2579 299.1790 -161935.4217 -109514.4085 298.5556 -73.2899 -51.2377 761504.6278 -14.1096 -14.0403 PRESSURE: 2996200 268.138 -137.428 94.7562 -137.428 -54.4577 17.8444 94.7558 17.8437 -16.4759 GPRESSURE: 2996200 224.829 -213.128 53.291 -76.5152 111.089 94.3252 217.738 53.5923 -36.0664 PRESSAVG: 2996200 29.9356 14.6325 30.8657 14.6325 -22.9993 19.8605 30.8656 19.8605 -2.12415 GPRESSAVG: 2996200 31.474 14.0187 31.4702 15.4976 -24.1454 19.3039 33.2787 20.3612 -2.16892 TIMING: 2996200 CPU: 9462.63, 0.00315322/step Wall: 9462.63, 0.00315322/step, 1.75512 hours remaining, 236.304688 MB of memory in use. ENERGY: 2996200 3982.8407 20455.7765 14375.6635 232.2700 -203493.4801 2585.3969 0.0000 0.0000 52074.9071 -109786.6255 299.2752 -161861.5326 -109412.5748 298.7848 65.7347 99.9506 762184.0901 1.6040 1.7199 LDB: ============= START OF LOAD BALANCING ============== 9475.17 LDB: ============== END OF LOAD BALANCING =============== 9475.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9475.17 LDB: ============= START OF LOAD BALANCING ============== 9475.49 LDB: Largest compute 7049 load 0.031878 is 16.3% of average load 0.195559 LDB: Average compute 0.004386 is 2.2% of average load 0.195559 LDB: TIME 9475.49 LOAD: AVG 0.195559 MAX 0.215257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 9475.49 LOAD: AVG 0.195559 MAX 0.215257 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 9475.49 LOAD: AVG 0.195559 MAX 0.215257 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 9475.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9475.5 PRESSURE: 2996400 332.274 109.563 139.984 109.563 85.7157 26.4316 139.984 26.432 99.676 GPRESSURE: 2996400 440.891 65.991 74.0261 38.74 106.437 48.2535 84.614 20.6583 80.609 PRESSAVG: 2996400 -68.3377 5.41182 43.7965 5.41179 13.6599 51.6362 43.7965 51.6363 -1.58449 GPRESSAVG: 2996400 -68.2372 6.60856 42.5527 4.3439 14.401 53.0662 39.9151 51.0934 -2.99796 TIMING: 2996400 CPU: 9463.28, 0.00323308/step Wall: 9463.28, 0.00323308/step, 1.79939 hours remaining, 235.453125 MB of memory in use. ENERGY: 2996400 3915.2505 20567.8522 14357.0683 254.7557 -203565.4649 2631.1779 0.0000 0.0000 52174.0603 -109665.3001 299.8450 -161839.3604 -109304.1636 298.8296 172.5553 209.3123 760407.7404 -18.7541 -18.9447 PRESSURE: 2996600 196.063 182.172 -3.012 182.174 106.112 4.14864 -3.01194 4.14885 203.413 GPRESSURE: 2996600 262.709 170.616 -69.2174 201.427 147.573 46.2125 -22.8471 90.9719 174.618 PRESSAVG: 2996600 -10.5399 29.2326 16.6148 29.2326 -6.33383 2.1186 16.6148 2.11851 4.64739 GPRESSAVG: 2996600 -10.4012 28.6324 17.7167 32.4441 -6.8141 1.05649 17.2851 2.23656 5.43051 TIMING: 2996600 CPU: 9463.91, 0.00317422/step Wall: 9463.91, 0.00317422/step, 1.76645 hours remaining, 235.453125 MB of memory in use. ENERGY: 2996600 4055.9682 20604.1040 14285.1542 259.1318 -203684.6316 2718.1393 0.0000 0.0000 52001.4398 -109760.6943 298.8530 -161762.1341 -109407.6665 298.5677 168.5293 194.9666 761649.1737 -4.0755 -3.9283 PRESSURE: 2996800 140.584 9.00752 83.4093 9.00828 438.804 -77.2508 83.4094 -77.2509 110.833 GPRESSURE: 2996800 215.094 89.7135 169.919 27.4727 433.965 -106.249 -78.9129 123.944 129.653 PRESSAVG: 2996800 -25.4693 -23.3691 -6.67401 -23.369 40.2159 53.2622 -6.67399 53.2621 12.6938 GPRESSAVG: 2996800 -27.4419 -22.3674 -5.85208 -26.0089 41.9705 55.6785 -6.06306 51.3166 13.4392 TIMING: 2996800 CPU: 9464.55, 0.00316221/step Wall: 9464.55, 0.00316221/step, 1.75959 hours remaining, 235.453125 MB of memory in use. ENERGY: 2996800 4000.8270 20364.2288 14326.4280 264.0380 -203463.0213 2719.3792 0.0000 0.0000 51809.5072 -109978.6130 297.7499 -161788.1201 -109620.2089 298.4965 230.0734 259.5707 760603.6080 9.1468 9.3226 PRESSURE: 2997000 144.248 116.428 -42.0569 116.428 232.754 63.7248 -42.0555 63.7239 287.871 GPRESSURE: 2997000 227.683 36.3628 -91.5702 -3.2723 272.249 81.1491 -21.5982 -17.4593 258.193 PRESSAVG: 2997000 -37.9906 -11.6185 -31.8201 -11.6185 42.6381 33.6266 -31.8201 33.6266 -15.7737 GPRESSAVG: 2997000 -36.9815 -12.7813 -33.1602 -10.5002 41.2376 31.1112 -32.663 34.5951 -15.4981 TIMING: 2997000 CPU: 9465.18, 0.00317398/step Wall: 9465.18, 0.00317398/step, 1.76597 hours remaining, 235.453125 MB of memory in use. ENERGY: 2997000 3959.0976 20536.5762 14336.3416 256.0472 -203541.7558 2818.7556 0.0000 0.0000 51807.4490 -109827.4886 297.7381 -161634.9376 -109473.1928 298.3724 221.6241 252.7083 760947.7088 -3.7087 -3.7473 PRESSURE: 2997200 108.495 -167.899 -31.5865 -167.9 197.28 -51.4763 -31.5861 -51.4749 -235.792 GPRESSURE: 2997200 229.129 -36.7011 29.8531 -188.251 191.138 -69.4745 26.6434 -154.119 -276.056 PRESSAVG: 2997200 -47.913 -11.0356 39.1185 -11.0357 -0.62391 78.7882 39.1185 78.7881 -0.172312 GPRESSAVG: 2997200 -47.2913 -10.037 38.7886 -12.7683 -1.42261 79.6007 38.9192 78.8189 0.170549 TIMING: 2997200 CPU: 9465.82, 0.00316797/step Wall: 9465.82, 0.00316797/step, 1.76245 hours remaining, 235.453125 MB of memory in use. ENERGY: 2997200 3968.5069 20560.5590 14290.5797 258.6329 -203249.1709 2494.1983 0.0000 0.0000 51745.3772 -109931.3169 297.3814 -161676.6940 -109572.5191 298.3799 23.3277 48.0703 762863.5730 -16.2364 -16.1811 PRESSURE: 2997400 162.818 -24.2334 -322.94 -24.2336 119.051 -7.38988 -322.941 -7.38966 249.701 GPRESSURE: 2997400 194.243 101.081 -270.876 -52.7563 97.9922 13.1763 -391.803 65.8384 307.765 PRESSAVG: 2997400 4.61293 -1.42581 -24.4003 -1.42581 24.9247 13.2585 -24.4003 13.2585 -1.01542 GPRESSAVG: 2997400 4.0695 -2.45916 -21.9067 -0.482942 25.4284 11.8142 -22.1213 12.6303 -0.773468 TIMING: 2997400 CPU: 9466.45, 0.00316436/step Wall: 9466.45, 0.00316436/step, 1.76026 hours remaining, 235.453125 MB of memory in use. ENERGY: 2997400 3991.5067 20510.6701 14267.2371 266.8564 -204010.1462 2916.8520 0.0000 0.0000 52196.7414 -109860.2825 299.9754 -162057.0239 -109498.1339 299.0747 177.1899 199.9999 761077.2626 9.5074 9.5748 PRESSURE: 2997600 -25.6823 80.1157 43.708 80.1165 549.422 -130.164 43.707 -130.163 -92.904 GPRESSURE: 2997600 9.62629 -36.3067 22.8215 107.595 548.215 -140.465 48.4602 -219.063 -43.6495 PRESSAVG: 2997600 -54.7201 -49.9118 -5.01955 -49.9118 66.6849 -3.37196 -5.01954 -3.37191 28.0433 GPRESSAVG: 2997600 -54.8969 -49.1947 -6.59939 -48.3341 66.9374 -1.97122 -7.09667 -3.56073 27.4238 TIMING: 2997600 CPU: 9467.08, 0.00315726/step Wall: 9467.08, 0.00315726/step, 1.75614 hours remaining, 235.453125 MB of memory in use. ENERGY: 2997600 3920.5190 20386.1141 14386.8150 248.1173 -203634.9670 2607.2467 0.0000 0.0000 52082.3414 -110003.8134 299.3179 -162086.1548 -109639.5172 298.8930 143.6120 171.3971 761921.2972 13.3360 13.1548 PRESSURE: 2997800 -471.867 -130.938 21.2122 -130.937 -131.765 -73.6545 21.2121 -73.6543 -166.155 GPRESSURE: 2997800 -477.853 -183.625 71.4259 -11.1899 -124.606 -62.0713 -18.395 109.032 -69.3585 PRESSAVG: 2997800 -101.501 19.6225 -16.4674 19.6226 68.4264 2.83342 -16.4674 2.83334 -23.0888 GPRESSAVG: 2997800 -101.805 20.1193 -17.6026 19.0276 67.9262 2.52679 -16.7161 5.50288 -22.2393 TIMING: 2997800 CPU: 9467.72, 0.00317996/step Wall: 9467.72, 0.00317996/step, 1.76859 hours remaining, 235.453125 MB of memory in use. ENERGY: 2997800 3959.9805 20485.4480 14329.4484 247.0563 -203281.9689 2324.4066 0.0000 0.0000 51907.1383 -110028.4908 298.3110 -161935.6291 -109664.5210 298.7152 -256.5954 -223.9392 762800.0392 -18.7210 -18.7060 PRESSURE: 2998000 -114.966 -146.424 -107.036 -146.424 129.654 15.0994 -107.036 15.0992 -309.943 GPRESSURE: 2998000 -96.5136 -53.1317 -115.281 -28.5198 167.327 -66.8933 -52.9207 -166.254 -305.009 PRESSAVG: 2998000 4.70769 -11.6923 -41.6903 -11.6924 -21.4292 -15.817 -41.6903 -15.817 -2.68961 GPRESSAVG: 2998000 4.82169 -11.8436 -40.1407 -11.4275 -21.2467 -18.1199 -40.6898 -17.1645 -3.36693 TIMING: 2998000 CPU: 9468.35, 0.00316871/step Wall: 9468.35, 0.00316872/step, 1.76216 hours remaining, 235.453125 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: 2998000 3995.8053 20485.4340 14424.3080 253.4022 -203502.1891 2602.3985 0.0000 0.0000 51776.6691 -109964.1720 297.5612 -161740.8411 -109606.1207 298.0737 -98.4184 -78.0651 763223.4826 -6.4704 -6.5973 PRESSURE: 2998200 -135.89 15.0937 -19.7662 15.0938 167.634 44.5196 -19.7664 44.5196 -31.0925 GPRESSURE: 2998200 -134.246 -57.7923 -101.229 46.1208 220.754 45.297 -69.608 -27.4622 -0.975231 PRESSAVG: 2998200 -34.6635 -54.2292 -18.3626 -54.2292 -19.8726 -3.5979 -18.3626 -3.59793 -1.55862 GPRESSAVG: 2998200 -35.8693 -53.3913 -19.0859 -54.8285 -18.0789 -1.36085 -18.531 -4.45373 -1.9579 TIMING: 2998200 CPU: 9468.99, 0.0031834/step Wall: 9468.99, 0.0031834/step, 1.77015 hours remaining, 235.453125 MB of memory in use. ENERGY: 2998200 3992.6855 20598.2592 14400.5162 223.6750 -203679.7631 2635.3584 0.0000 0.0000 51816.7556 -110012.5133 297.7916 -161829.2689 -109652.0675 298.4257 0.2169 28.5110 761714.3058 -18.6982 -18.6354 PRESSURE: 2998400 21.1259 37.2498 112.438 37.2499 57.7569 -172.692 112.438 -172.693 417.097 GPRESSURE: 2998400 125.82 22.4843 90.9009 0.813518 17.7669 -81.3519 71.3948 -110.325 433.174 PRESSAVG: 2998400 -66.9488 -13.5798 -24.4573 -13.5799 28.1145 60.5863 -24.4572 60.5863 0.748367 GPRESSAVG: 2998400 -64.8856 -13.2649 -25.0415 -13.7102 26.3818 61.1013 -24.1105 60.9408 -0.37823 TIMING: 2998400 CPU: 9469.62, 0.00318512/step Wall: 9469.62, 0.00318512/step, 1.77093 hours remaining, 235.453125 MB of memory in use. ENERGY: 2998400 3929.5559 20409.7060 14293.1325 240.9089 -203461.0387 2575.0344 0.0000 0.0000 52015.7787 -109996.9223 298.9354 -162012.7010 -109635.3629 298.9264 165.3265 192.2536 760570.1357 -12.6953 -12.9607 PRESSURE: 2998600 128.471 -3.57679 49.1004 -3.57629 -35.5534 137.252 49.0997 137.253 -53.7292 GPRESSURE: 2998600 272.669 99.6737 47.4099 -35.0266 -40.4309 122.514 166.931 82.6134 -107.769 PRESSAVG: 2998600 -7.27124 36.1112 -2.71959 36.1112 54.0081 29.3584 -2.71963 29.3584 -6.16739 GPRESSAVG: 2998600 -8.15373 34.428 -1.8852 35.8649 53.2021 28.3487 -1.73821 31.6543 -4.75532 TIMING: 2998600 CPU: 9470.26, 0.00320103/step Wall: 9470.26, 0.00320103/step, 1.7796 hours remaining, 235.453125 MB of memory in use. ENERGY: 2998600 3948.7615 20367.6907 14262.0473 239.7539 -203338.2180 2399.2256 0.0000 0.0000 51964.4779 -110156.2611 298.6406 -162120.7389 -109794.0059 298.3808 13.0629 41.4895 760662.0026 13.5232 13.4310 PRESSURE: 2998800 -76.402 -124.728 -137.848 -124.728 -199.819 73.7728 -137.848 73.7725 146.439 GPRESSURE: 2998800 -54.8972 -68.96 -4.51127 -175.176 -167.693 130.963 -149.582 188.407 148.953 PRESSAVG: 2998800 -7.39132 -23.6073 -38.7618 -23.6074 -10.042 25.35 -38.7617 25.35 -9.59672 GPRESSAVG: 2998800 -8.31126 -24.0123 -39.0525 -21.6638 -8.80379 25.1939 -39.2773 23.5874 -10.4347 TIMING: 2998800 CPU: 9470.9, 0.00319883/step Wall: 9470.9, 0.00319883/step, 1.77819 hours remaining, 235.453125 MB of memory in use. ENERGY: 2998800 4018.4477 20491.0827 14328.7192 234.8232 -203248.9303 2533.0314 0.0000 0.0000 51776.5419 -109866.2842 297.5605 -161642.8261 -109496.7722 298.2302 -43.2607 -24.5457 761445.5703 -9.0100 -9.1832 PRESSURE: 2999000 63.2667 -39.9432 -240.89 -39.9434 307.29 -190.202 -240.89 -190.202 -206.394 GPRESSURE: 2999000 60.7519 -87.7197 -193.219 -31.1417 449.697 -200.346 -261.833 -212.947 -247.683 PRESSAVG: 2999000 -30.0377 -46.7411 3.80184 -46.7412 59.324 -24.8524 3.80185 -24.8524 7.12565 GPRESSAVG: 2999000 -31.0727 -46.7152 3.31256 -48.0476 59.7453 -24.6899 2.67626 -23.0341 7.82457 TIMING: 2999000 CPU: 9471.54, 0.00316705/step Wall: 9471.54, 0.00316705/step, 1.76035 hours remaining, 235.453125 MB of memory in use. ENERGY: 2999000 3995.8129 20373.2954 14440.7005 249.8971 -203529.4932 2663.9840 0.0000 0.0000 52023.6265 -109782.1769 298.9805 -161805.8034 -109422.5976 299.2586 54.7210 87.5884 762381.2511 12.1373 12.1657 PRESSURE: 2999200 -519.465 43.4172 79.2423 43.4175 -384.453 51.9997 79.243 51.9992 -206.413 GPRESSURE: 2999200 -442.502 65.5684 50.4995 20.5139 -396.732 0.110751 -31.5129 94.1727 -142.371 PRESSAVG: 2999200 33.5298 -24.6639 49.0769 -24.6638 -19.4586 22.6146 49.077 22.6146 -6.07567 GPRESSAVG: 2999200 35.3765 -24.4213 48.2134 -25.9409 -19.7815 24.1272 50.3327 20.3979 -6.87395 TIMING: 2999200 CPU: 9472.17, 0.00314908/step Wall: 9472.17, 0.00314908/step, 1.75019 hours remaining, 235.453125 MB of memory in use. ENERGY: 2999200 3993.3384 20413.1178 14369.7685 246.9027 -202988.0138 2333.5670 0.0000 0.0000 51762.5530 -109868.7664 297.4801 -161631.3194 -109501.5475 298.7523 -370.1104 -327.2013 764130.5687 2.6652 2.9070 PRESSURE: 2999400 23.1475 133.686 151.833 133.686 185.229 15.0771 151.833 15.0771 42.342 GPRESSURE: 2999400 95.354 214.734 173.037 154.022 219.244 -6.80488 64.4253 -21.6149 46.0931 PRESSAVG: 2999400 -6.39706 22.7628 2.46935 22.7628 -13.9603 14.7813 2.46933 14.7813 -16.4836 GPRESSAVG: 2999400 -6.2479 23.4853 2.88323 23.0019 -14.4671 12.9012 0.925183 14.8675 -16.1506 TIMING: 2999400 CPU: 9472.8, 0.00317254/step Wall: 9472.8, 0.00317254/step, 1.76305 hours remaining, 235.453125 MB of memory in use. ENERGY: 2999400 3966.2225 20441.9954 14391.4742 243.3795 -203408.1019 2852.7433 0.0000 0.0000 51764.3971 -109747.8899 297.4907 -161512.2870 -109399.2603 298.5501 83.5729 120.2302 762178.1649 -12.2803 -12.2885 PRESSURE: 2999600 -13.8242 -105.791 -27.3653 -105.791 -295.378 -65.273 -27.3646 -65.2738 153.479 GPRESSURE: 2999600 -13.0244 -4.54726 -59.8807 -113.881 -234.887 -124.189 -148.983 -31.9577 183.941 PRESSAVG: 2999600 40.4048 -3.04661 -35.1432 -3.04663 -68.9819 8.20712 -35.1431 8.20713 13.3229 GPRESSAVG: 2999600 40.8946 -2.28725 -33.8592 -3.05056 -68.7766 10.3509 -32.9646 8.53261 12.546 TIMING: 2999600 CPU: 9473.43, 0.0031616/step Wall: 9473.43, 0.0031616/step, 1.75679 hours remaining, 235.453125 MB of memory in use. ENERGY: 2999600 3981.2696 20586.6838 14375.3998 246.4418 -203342.3107 2618.8412 0.0000 0.0000 52025.4716 -109508.2028 298.9911 -161533.6744 -109148.7708 298.5418 -51.9079 -21.3233 762461.1511 -5.0847 -5.1120 PRESSURE: 2999800 2.27666 0.379825 -118.165 0.380728 -634.624 108.116 -118.165 108.117 -73.9321 GPRESSURE: 2999800 -64.2981 5.27062 -213.036 7.49571 -482.186 99.6129 -69.6843 74.3951 -69.6897 PRESSAVG: 2999800 52.4118 -45.5114 -49.1203 -45.5114 -20.2797 30.1467 -49.1203 30.1467 14.4915 GPRESSAVG: 2999800 49.7092 -46.9646 -49.7328 -45.5773 -19.015 28.3754 -50.3845 29.1866 15.994 TIMING: 2999800 CPU: 9474.07, 0.00317192/step Wall: 9474.07, 0.00317192/step, 1.76235 hours remaining, 235.453125 MB of memory in use. ENERGY: 2999800 4055.6994 20462.2742 14368.6562 245.3385 -203229.2497 2653.1620 0.0000 0.0000 51986.2032 -109457.9163 298.7654 -161444.1195 -109096.6062 299.2437 -235.4265 -205.3913 762871.4908 15.5412 15.5627 WRITING COORDINATES TO DCD FILE MD.1.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: 3000000 129.382 -141.892 -113.547 -141.892 317.977 106.64 -113.547 106.64 145.685 GPRESSURE: 3000000 222.852 -77.6287 -120.362 -108.318 309.801 70.7533 -75.3081 100.971 165.435 PRESSAVG: 3000000 -21.3171 -51.5799 -45.9575 -51.5799 25.4116 25.7278 -45.9575 25.7278 -11.5028 GPRESSAVG: 3000000 -17.8035 -49.4863 -45.6748 -51.5961 23.0299 25.1198 -44.3851 26.8062 -12.3285 TIMING: 3000000 CPU: 9474.72, 0.00326005/step Wall: 9474.72, 0.00326005/step, 1.81114 hours remaining, 235.578125 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: 3000000 4042.8942 20589.7002 14404.3403 242.8544 -203467.7712 2731.6240 0.0000 0.0000 51915.8930 -109540.4650 298.3614 -161456.3580 -109176.0401 299.3893 197.6813 232.6960 761799.5862 -2.4694 -2.3674 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 PRESSURE: 3000200 -189.257 5.21398 125.523 5.2135 -198.932 -137.929 125.523 -137.929 8.85498 GPRESSURE: 3000200 -182.829 -8.66141 162.198 14.7526 -122.365 -220.768 195.191 -66.1202 15.3835 PRESSAVG: 3000200 -48.4322 -44.4144 -53.5624 -44.4144 61.4645 37.8118 -53.5623 37.8119 0.661161 GPRESSAVG: 3000200 -50.1526 -44.5137 -53.7559 -43.6402 63.687 37.5958 -55.3311 37.6261 0.213129 TIMING: 3000200 CPU: 9475.36, 0.00317652/step Wall: 9475.36, 0.00317652/step, 1.76456 hours remaining, 235.578125 MB of memory in use. ENERGY: 3000200 4026.7756 20400.4043 14454.3671 227.5523 -203187.3157 2472.4939 0.0000 0.0000 52152.1908 -109453.5317 299.7194 -161605.7224 -109094.5666 299.9065 -126.4446 -96.6035 760915.2151 4.5645 4.5825 LDB: ============= START OF LOAD BALANCING ============== 9487.89 LDB: ============== END OF LOAD BALANCING =============== 9487.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9487.89 LDB: ============= START OF LOAD BALANCING ============== 9488.21 LDB: Largest compute 7067 load 0.030698 is 15.7% of average load 0.195592 LDB: Average compute 0.004386 is 2.2% of average load 0.195592 LDB: TIME 9488.21 LOAD: AVG 0.195592 MAX 0.214907 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.094 MB LDB: TIME 9488.21 LOAD: AVG 0.195592 MAX 0.214907 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.094 MB LDB: TIME 9488.21 LOAD: AVG 0.195592 MAX 0.214907 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.094 MB LDB: ============== END OF LOAD BALANCING =============== 9488.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9488.22 PRESSURE: 3000400 277.954 257.176 29.899 257.176 -77.424 -93.3117 29.9007 -93.312 -54.3883 GPRESSURE: 3000400 221.383 184.56 53.9593 278.248 32.2324 -99.1795 67.5588 -34.7297 -14.1758 PRESSAVG: 3000400 -3.79261 -12.3431 62.6039 -12.3432 18.1518 12.8938 62.6039 12.8938 44.9233 GPRESSAVG: 3000400 -4.00566 -13.1356 61.5177 -12.3715 18.9694 14.1203 60.7691 11.6533 44.5298 TIMING: 3000400 CPU: 9476, 0.00321962/step Wall: 9476, 0.00321962/step, 1.78832 hours remaining, 236.339844 MB of memory in use. ENERGY: 3000400 4019.0765 20619.2768 14393.1083 256.1619 -203159.5991 2421.6213 0.0000 0.0000 51795.8672 -109654.4870 297.6716 -161450.3543 -109299.3589 299.3380 48.7140 79.8133 760004.4697 19.7608 19.8312 PRESSURE: 3000600 -48.024 -58.7252 66.5449 -58.7254 -332.598 143.171 66.5444 143.171 -359.679 GPRESSURE: 3000600 25.596 -58.1565 129.048 -92.5562 -292.562 122.915 33.9609 44.8254 -386.51 PRESSAVG: 3000600 -5.14504 19.5852 33.3693 19.5852 -0.767486 31.7756 33.3692 31.7755 -29.5353 GPRESSAVG: 3000600 -5.15417 19.9258 34.5117 22.4007 -2.0436 32.3545 35.5511 32.2157 -28.1973 TIMING: 3000600 CPU: 9476.63, 0.00317495/step Wall: 9476.63, 0.00317495/step, 1.76333 hours remaining, 236.597656 MB of memory in use. ENERGY: 3000600 3944.7174 20445.2451 14313.4420 246.7817 -203312.1910 2498.1329 0.0000 0.0000 51947.4626 -109916.4093 298.5428 -161863.8719 -109545.0617 298.3592 -246.7669 -217.8252 762403.1944 -11.8159 -11.7984 PRESSURE: 3000800 172.966 101.376 200.94 101.375 -142.582 -59.2272 200.941 -59.2271 232.847 GPRESSURE: 3000800 152.621 150.238 175.473 84.2499 -1.76509 -13.5016 66.8182 52.5694 200.163 PRESSAVG: 3000800 15.1437 -14.7194 22.9529 -14.7193 -38.1346 -9.26649 22.9529 -9.26649 -22.8797 GPRESSAVG: 3000800 16.0097 -16.4039 22.3141 -16.949 -37.6613 -11.5001 22.7331 -7.66652 -23.8256 TIMING: 3000800 CPU: 9477.27, 0.00317982/step Wall: 9477.27, 0.00317982/step, 1.76586 hours remaining, 236.597656 MB of memory in use. ENERGY: 3000800 3974.9924 20556.7562 14409.1927 250.2119 -203773.1889 2815.6644 0.0000 0.0000 51987.8919 -109778.4794 298.7751 -161766.3713 -109419.4964 298.7160 87.7438 117.0063 760607.8047 -15.2902 -15.1591 PRESSURE: 3001000 38.5189 -60.0346 117.643 -60.0344 187.047 -130.134 117.644 -130.133 441.086 GPRESSURE: 3001000 112.113 -33.1526 23.6388 19.6441 259.368 -73.3559 82.2883 -187.588 401.674 PRESSAVG: 3001000 10.7986 -7.02633 -46.6284 -7.02639 53.5051 -10.9147 -46.6284 -10.9147 4.98778 GPRESSAVG: 3001000 11.04 -6.68241 -46.6122 -6.31518 52.527 -8.77511 -46.0487 -11.9693 6.26847 TIMING: 3001000 CPU: 9477.91, 0.00317543/step Wall: 9477.91, 0.00317543/step, 1.76324 hours remaining, 236.597656 MB of memory in use. ENERGY: 3001000 3986.2393 20530.4357 14280.1472 252.8448 -203528.7797 2825.3639 0.0000 0.0000 51725.7105 -109928.0383 297.2684 -161653.7488 -109570.2298 299.1147 222.2173 257.7184 761120.7406 23.0972 23.2785 PRESSURE: 3001200 -216.211 124.012 53.2854 124.013 -181.287 -19.425 53.2856 -19.425 6.47714 GPRESSURE: 3001200 -138.618 73.361 64.4164 191.768 -233.051 -102.971 129.019 27.5153 63.2015 PRESSAVG: 3001200 -29.5106 -9.31016 21.2417 -9.31003 42.6675 -57.1273 21.2417 -57.1273 1.21821 GPRESSAVG: 3001200 -29.0533 -8.41461 21.3821 -10.5562 42.4774 -56.8583 21.0248 -54.6532 0.918178 TIMING: 3001200 CPU: 9478.54, 0.00317993/step Wall: 9478.54, 0.00317993/step, 1.76557 hours remaining, 236.597656 MB of memory in use. ENERGY: 3001200 3997.2459 20566.8351 14298.9547 230.5544 -203575.1135 2779.4343 0.0000 0.0000 52042.3020 -109659.7872 299.0878 -161702.0891 -109299.3580 298.5550 -130.3405 -102.8224 762448.8521 4.7917 4.7808 PRESSURE: 3001400 -54.9447 187.829 -113.667 187.829 -325.518 141.503 -113.668 141.502 38.6795 GPRESSURE: 3001400 -11.9073 108.145 -141.1 201.81 -251.5 65.2386 -66.8206 16.9577 -11.0007 PRESSAVG: 3001400 19.5368 -8.19647 -7.92733 -8.19648 -15.1527 1.44008 -7.92736 1.44 14.6553 GPRESSAVG: 3001400 19.319 -8.14388 -7.82382 -6.98248 -14.338 0.69709 -9.04112 -1.51894 13.8581 TIMING: 3001400 CPU: 9479.18, 0.00319545/step Wall: 9479.18, 0.00319545/step, 1.77401 hours remaining, 236.597656 MB of memory in use. ENERGY: 3001400 3990.9638 20613.2240 14371.4218 238.8535 -203310.5079 2511.9965 0.0000 0.0000 51958.1796 -109625.8686 298.6044 -161584.0482 -109267.3935 299.0481 -113.9279 -91.4695 761131.8063 6.3465 6.2797 PRESSURE: 3001600 292.893 -86.5771 148.098 -86.5774 -70.6783 178.34 148.099 178.34 -218.396 GPRESSURE: 3001600 266.907 -58.4587 137.469 -31.4403 23.2561 210.975 162.627 113.162 -203.586 PRESSAVG: 3001600 -5.85862 -7.92139 -23.8933 -7.92137 27.1371 1.37206 -23.8933 1.37202 5.89282 GPRESSAVG: 3001600 -6.81519 -6.36638 -23.0972 -7.25905 28.1278 0.268102 -24.1229 0.960252 6.28145 TIMING: 3001600 CPU: 9479.81, 0.00317264/step Wall: 9479.81, 0.00317264/step, 1.76117 hours remaining, 236.597656 MB of memory in use. ENERGY: 3001600 4027.2093 20488.4781 14400.8419 216.1673 -203573.7265 2775.0345 0.0000 0.0000 51954.1239 -109711.8714 298.5811 -161665.9953 -109347.5823 298.8209 1.2729 28.8592 762737.8187 9.0571 9.1980 PRESSURE: 3001800 -0.100977 -107.259 -48.9812 -107.259 -299.162 285.95 -48.9822 285.951 -62.9379 GPRESSURE: 3001800 33.818 1.46191 -3.79411 -93.8321 -230.797 287.175 -77.2317 193.857 -111.028 PRESSAVG: 3001800 36.1009 -5.50854 -10.4699 -5.50856 0.479955 -22.7953 -10.4699 -22.7953 -21.3022 GPRESSAVG: 3001800 36.2049 -7.80756 -8.24207 -4.63248 0.960113 -21.954 -11.0574 -20.5372 -22.1953 TIMING: 3001800 CPU: 9480.45, 0.00319068/step Wall: 9480.45, 0.00319068/step, 1.771 hours remaining, 236.597656 MB of memory in use. ENERGY: 3001800 4084.7349 20447.3081 14413.1848 240.1352 -203382.8954 2672.1670 0.0000 0.0000 51982.4729 -109542.8926 298.7440 -161525.3655 -109186.0158 298.9022 -120.7336 -102.6687 761509.6563 5.0929 4.9899 PRESSURE: 3002000 -289.366 -230.719 25.2967 -230.719 60.8515 59.6029 25.2971 59.6019 -216.74 GPRESSURE: 3002000 -238.827 -74.0294 55.835 -222.867 145.811 58.6777 -49.5938 60.049 -255.438 PRESSAVG: 3002000 -37.5989 -62.706 21.6009 -62.7059 17.6968 32.0361 21.6009 32.0361 -3.05427 GPRESSAVG: 3002000 -37.5881 -59.5473 19.8308 -63.1395 17.4945 32.4712 22.5328 31.4174 -2.51574 TIMING: 3002000 CPU: 9481.08, 0.00314926/step Wall: 9481.08, 0.00314926/step, 1.74784 hours remaining, 236.597656 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: 3002000 4023.7857 20303.9187 14397.0855 253.7000 -203568.4006 2804.8297 0.0000 0.0000 52146.1488 -109638.9323 299.6846 -161785.0810 -109283.5029 298.8510 -148.4180 -116.1511 761986.8137 -7.6521 -7.5364 PRESSURE: 3002200 41.4669 -39.7447 -30.5641 -39.7446 -230.331 25.131 -30.5642 25.1297 -79.3862 GPRESSURE: 3002200 45.7709 -79.5728 32.5987 -92.725 -230.043 24.6037 -40.111 89.633 1.46634 PRESSAVG: 3002200 5.75382 -53.4398 33.9718 -53.4397 52.2623 21.3227 33.9718 21.3226 -4.33204 GPRESSAVG: 3002200 6.11915 -54.9628 33.1794 -53.229 52.7867 20.4698 34.0289 20.7256 -4.49618 TIMING: 3002200 CPU: 9481.71, 0.00315593/step Wall: 9481.71, 0.00315593/step, 1.75137 hours remaining, 236.597656 MB of memory in use. ENERGY: 3002200 4048.7270 20416.6686 14426.8006 248.2670 -203222.6530 2516.1739 0.0000 0.0000 51968.9650 -109597.0509 298.6664 -161566.0159 -109247.7854 299.0746 -89.4167 -60.9353 761104.5179 17.8947 18.1366 PRESSURE: 3002400 -291.483 4.81705 52.3601 4.8173 -216.933 -113.138 52.3602 -113.139 -471.784 GPRESSURE: 3002400 -241.689 18.2562 31.6169 -56.8087 -206.571 -117.88 121.725 -173.883 -440.298 PRESSAVG: 3002400 49.1482 -8.29622 8.96057 -8.29621 -2.87793 -10.7502 8.9605 -10.7502 5.13072 GPRESSAVG: 3002400 49.3229 -9.13056 10.1428 -9.57997 -2.81848 -10.9164 6.62796 -11.6554 5.19015 TIMING: 3002400 CPU: 9482.35, 0.00317083/step Wall: 9482.35, 0.00317083/step, 1.75946 hours remaining, 236.597656 MB of memory in use. ENERGY: 3002400 3971.8582 20501.8627 14405.2613 242.6812 -203141.4855 2322.2072 0.0000 0.0000 52009.5981 -109688.0167 298.8999 -161697.6148 -109322.7115 299.1302 -326.7334 -296.1861 762160.7398 17.1337 17.2315 PRESSURE: 3002600 -319.009 -13.1645 -101.025 -13.1644 74.8621 -155.407 -101.025 -155.407 149.424 GPRESSURE: 3002600 -202.159 33.6658 -71.1805 -54.0494 84.9649 -139.949 -36.2068 -204.188 116.65 PRESSAVG: 3002600 -34.3663 -4.12938 -4.70644 -4.12938 11.8211 -22.8749 -4.70643 -22.8749 4.82518 GPRESSAVG: 3002600 -33.2507 -2.99711 -3.96254 -4.30474 9.64782 -22.0604 -2.7054 -23.0139 5.73726 TIMING: 3002600 CPU: 9482.98, 0.00316653/step Wall: 9482.98, 0.00316653/step, 1.75689 hours remaining, 236.597656 MB of memory in use. ENERGY: 3002600 3956.4198 20562.0999 14466.4201 257.3576 -203183.6033 2371.2204 0.0000 0.0000 52116.4125 -109453.6731 299.5137 -161570.0856 -109088.8358 299.0310 -31.5743 -0.1813 762900.7499 -5.9067 -5.9552 PRESSURE: 3002800 -386.901 -48.6432 -246.299 -48.6438 -463.458 165.509 -246.299 165.509 -298.024 GPRESSURE: 3002800 -323.707 -175.323 -292.958 -59.048 -469.925 154.767 -155.362 212.353 -269.734 PRESSAVG: 3002800 -12.8664 33.4437 -2.26908 33.4438 10.5607 -4.09682 -2.26906 -4.09685 9.39047 GPRESSAVG: 3002800 -13.9301 32.3513 -4.2834 34.5447 11.9736 -3.97596 1.1453 -4.21678 9.52376 TIMING: 3002800 CPU: 9483.62, 0.00316983/step Wall: 9483.62, 0.00316983/step, 1.75855 hours remaining, 236.597656 MB of memory in use. ENERGY: 3002800 3983.0752 20561.7215 14373.9665 239.0677 -203004.2878 2458.0837 0.0000 0.0000 52010.2585 -109378.1148 298.9037 -161388.3733 -109018.3366 299.4277 -382.7944 -354.4552 764394.9903 2.3616 2.5224 PRESSURE: 3003000 132.95 -56.0563 -60.2055 -56.0554 235.914 102.551 -60.2056 102.552 280.81 GPRESSURE: 3003000 228.943 -20.5365 -115.03 -24.6378 213.307 50.3835 -154.984 206.435 295.329 PRESSAVG: 3003000 -7.29818 -15.9085 -6.05837 -15.9085 10.0977 8.07518 -6.0584 8.07508 2.00726 GPRESSAVG: 3003000 -6.00758 -15.2066 -5.61756 -17.73 9.0421 7.14364 -9.4187 7.42593 1.96813 TIMING: 3003000 CPU: 9484.25, 0.00317393/step Wall: 9484.25, 0.00317393/step, 1.76065 hours remaining, 236.597656 MB of memory in use. ENERGY: 3003000 4008.6462 20507.1519 14392.2654 225.7778 -203451.0192 2893.6491 0.0000 0.0000 51980.1723 -109443.3564 298.7308 -161423.5287 -109084.9407 299.4375 216.5578 245.8598 763392.0791 1.6023 1.6675 PRESSURE: 3003200 326.336 -61.7495 -6.3483 -61.7488 49.6479 -9.20877 -6.34758 -9.20978 -110.326 GPRESSURE: 3003200 267.775 4.97959 12.1719 -147.985 177.769 27.1926 -33.4859 110.996 -99.3473 PRESSAVG: 3003200 4.80185 5.38902 -81.7994 5.38903 13.2789 -3.77678 -81.7993 -3.77677 -0.115901 GPRESSAVG: 3003200 4.85906 7.48912 -80.4306 5.7292 12.9056 -3.15287 -81.7118 -1.94861 0.224828 TIMING: 3003200 CPU: 9484.89, 0.00317795/step Wall: 9484.89, 0.00317795/step, 1.76271 hours remaining, 236.597656 MB of memory in use. ENERGY: 3003200 4041.2157 20581.2832 14371.1039 257.6068 -203612.7272 2893.6277 0.0000 0.0000 51971.0234 -109496.8666 298.6782 -161467.8900 -109139.6080 299.1306 88.5528 115.3987 763438.6991 5.9883 5.9965 PRESSURE: 3003400 -229.661 13.306 -194.26 13.3047 192.48 -70.71 -194.26 -70.7109 109.967 GPRESSURE: 3003400 -187.432 -2.64453 -201.662 93.9294 160.572 42.227 -103.82 -34.1816 179.122 PRESSAVG: 3003400 -32.6534 -15.6373 -16.4722 -15.6372 19.8555 9.25038 -16.4722 9.25031 -4.35053 GPRESSAVG: 3003400 -33.7717 -17.8532 -17.9274 -13.4386 20.5966 9.34576 -16.8337 7.91197 -4.43521 TIMING: 3003400 CPU: 9485.52, 0.00317732/step Wall: 9485.52, 0.00317732/step, 1.76217 hours remaining, 236.597656 MB of memory in use. ENERGY: 3003400 3949.5768 20589.1814 14374.3038 246.9543 -203263.5244 2677.1383 0.0000 0.0000 52063.2516 -109363.1182 299.2082 -161426.3698 -109000.0479 299.2241 24.2621 50.7537 762557.6681 -5.7161 -5.8701 PRESSURE: 3003600 375.045 -219.143 102.174 -219.142 313.089 30.4113 102.174 30.4117 249.333 GPRESSURE: 3003600 464.054 -280.82 23.5543 -210.847 274.267 49.4955 118.143 28.39 298.764 PRESSAVG: 3003600 26.1416 -31.6592 -32.6984 -31.6593 -14.9787 11.2732 -32.6984 11.2732 10.1569 GPRESSAVG: 3003600 27.7212 -31.9729 -33.3157 -34.4142 -15.6833 10.4817 -30.7983 11.8955 9.26513 TIMING: 3003600 CPU: 9486.16, 0.00317744/step Wall: 9486.16, 0.00317744/step, 1.76206 hours remaining, 236.597656 MB of memory in use. ENERGY: 3003600 4085.2548 20565.2807 14444.0349 231.8798 -203714.1151 2881.4585 0.0000 0.0000 52346.8881 -109159.3183 300.8383 -161506.2063 -108785.1537 300.1731 312.4892 345.6951 762656.2385 7.1066 7.1010 PRESSURE: 3003800 -274.255 22.757 113.669 22.7562 82.7812 -243.605 113.668 -243.606 -435.509 GPRESSURE: 3003800 -235.35 10.5715 216.417 86.9151 27.7286 -231.918 134.066 -229.326 -324.781 PRESSAVG: 3003800 -30.4632 -4.54935 48.1745 -4.54932 51.4832 -86.5959 48.1745 -86.5958 -11.5615 GPRESSAVG: 3003800 -30.5839 -5.0214 49.8659 -4.39718 51.4575 -86.602 47.3175 -86.0304 -11.4933 TIMING: 3003800 CPU: 9486.79, 0.00318828/step Wall: 9486.79, 0.00318828/step, 1.7679 hours remaining, 236.597656 MB of memory in use. ENERGY: 3003800 3992.0216 20554.5147 14374.4747 238.9130 -203524.1783 2525.1454 0.0000 0.0000 52325.2711 -109513.8378 300.7141 -161839.1089 -109149.4785 299.6791 -208.9943 -177.4673 762980.8896 3.1528 3.1268 PRESSURE: 3004000 381.673 -103.351 111.146 -103.352 -57.5319 -23.0101 111.146 -23.011 -30.5685 GPRESSURE: 3004000 368.642 -105.372 8.65206 -137.608 26.324 110.489 82.8056 -144.039 -19.545 PRESSAVG: 3004000 -30.5476 -19.8519 3.93425 -19.852 11.6824 71.1627 3.93429 71.1627 -0.376619 GPRESSAVG: 3004000 -31.8846 -19.1665 3.52371 -20.8819 13.1782 72.0068 2.22804 70.9632 -0.903458 TIMING: 3004000 CPU: 9487.43, 0.00318809/step Wall: 9487.43, 0.00318809/step, 1.76762 hours remaining, 236.597656 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: 3004000 3981.3103 20497.2797 14380.5994 254.0584 -203300.5533 2511.6211 0.0000 0.0000 51927.8038 -109747.8806 298.4298 -161675.6844 -109391.1749 299.0835 97.8574 125.1403 762249.4641 -6.4140 -6.5366 PRESSURE: 3004200 -70.6674 -37.9683 259.436 -37.968 180.33 271.845 259.436 271.845 153.092 GPRESSURE: 3004200 69.8801 -144.628 274.434 -72.5736 169.176 197.25 172.758 219.198 108.573 PRESSAVG: 3004200 -39.6413 -34.2421 -5.84732 -34.2421 42.8192 21.6028 -5.84726 21.6028 2.39776 GPRESSAVG: 3004200 -38.171 -34.246 -5.70992 -32.7172 41.6347 20.3335 -6.23308 21.3528 2.31639 TIMING: 3004200 CPU: 9488.07, 0.00318907/step Wall: 9488.07, 0.00318907/step, 1.76798 hours remaining, 236.597656 MB of memory in use. ENERGY: 3004200 4028.1300 20407.4234 14389.1791 223.4276 -203639.2933 2732.7572 0.0000 0.0000 51957.3832 -109900.9928 298.5998 -161858.3760 -109545.4006 298.6899 87.5850 115.8764 760245.8051 1.8585 1.9267 LDB: ============= START OF LOAD BALANCING ============== 9500.6 LDB: ============== END OF LOAD BALANCING =============== 9500.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9500.61 LDB: ============= START OF LOAD BALANCING ============== 9500.92 LDB: Largest compute 7026 load 0.032073 is 16.4% of average load 0.195491 LDB: Average compute 0.004390 is 2.2% of average load 0.195491 LDB: TIME 9500.93 LOAD: AVG 0.195491 MAX 0.214225 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.766 MB LDB: TIME 9500.93 LOAD: AVG 0.195491 MAX 0.214225 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: TIME 9500.93 LOAD: AVG 0.195491 MAX 0.214225 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: ============== END OF LOAD BALANCING =============== 9500.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9500.93 PRESSURE: 3004400 202.948 163.345 -59.9165 163.345 354.282 -187.733 -59.9164 -187.733 285.822 GPRESSURE: 3004400 231.622 138.624 -19.7993 207.296 449.361 -81.6051 -64.2368 -153.998 240.528 PRESSAVG: 3004400 -11.1588 -1.08062 -8.69372 -1.08064 60.9408 20.6466 -8.69367 20.6466 -19.754 GPRESSAVG: 3004400 -11.2953 -1.5047 -10.36 -0.177712 61.396 21.8784 -5.84866 21.7885 -20.4361 TIMING: 3004400 CPU: 9488.72, 0.0032369/step Wall: 9488.72, 0.0032369/step, 1.79432 hours remaining, 237.050781 MB of memory in use. ENERGY: 3004400 3951.3190 20431.7700 14343.9947 231.4095 -203825.4797 3063.1253 0.0000 0.0000 51953.2768 -109850.5844 298.5762 -161803.8612 -109480.9386 297.9290 281.0174 307.1705 760423.8003 10.0093 9.8882 PRESSURE: 3004600 37.8757 -133.737 -70.7139 -133.737 -424.627 6.7691 -70.714 6.76952 -288.6 GPRESSURE: 3004600 2.71761 -171.091 -108.168 -179.228 -386.021 -38.7042 -177.657 -7.23349 -216.601 PRESSAVG: 3004600 36.8024 -23.7383 -15.942 -23.7383 -47.5327 27.5014 -15.942 27.5014 -18.7936 GPRESSAVG: 3004600 35.0821 -23.6893 -14.5256 -25.241 -48.1196 27.492 -17.4381 23.4917 -16.4045 TIMING: 3004600 CPU: 9489.35, 0.003169/step Wall: 9489.35, 0.003169/step, 1.7565 hours remaining, 237.121094 MB of memory in use. ENERGY: 3004600 4003.2193 20456.6417 14401.7858 235.5711 -203304.5582 2615.7787 0.0000 0.0000 51920.9764 -109670.5853 298.3906 -161591.5617 -109316.3647 298.5169 -225.1171 -199.9682 762955.8183 -9.8413 -9.8140 PRESSURE: 3004800 -9.5183 5.48818 -159.98 5.48874 232.842 -2.07327 -159.981 -2.07391 -21.3881 GPRESSURE: 3004800 50.8097 69.6041 -28.6815 30.7997 237.455 1.29645 -229.948 62.7508 -4.23373 PRESSAVG: 3004800 51.1503 13.5327 -4.6544 13.5326 -42.5805 -33.4053 -4.65441 -33.4053 4.34778 GPRESSAVG: 3004800 51.9588 12.8285 -5.93568 14.3353 -41.1179 -33.4539 -5.60358 -31.3308 1.37117 TIMING: 3004800 CPU: 9489.99, 0.00317729/step Wall: 9489.99, 0.00317729/step, 1.76093 hours remaining, 237.121094 MB of memory in use. ENERGY: 3004800 3936.4207 20460.1400 14350.6870 245.3597 -203610.7129 2704.6361 0.0000 0.0000 52099.6864 -109813.7829 299.4176 -161913.4693 -109454.2309 299.2060 67.3118 94.6770 761228.2937 4.3059 4.0707 PRESSURE: 3005000 180.433 -275.247 47.5111 -275.246 39.6297 -175.817 47.5116 -175.818 -161.348 GPRESSURE: 3005000 288.879 -309.722 95.3449 -298.651 -14.1821 -182.409 53.2852 -56.4331 -102.189 PRESSAVG: 3005000 2.006 -18.5587 -22.1561 -18.5587 16.307 -28.3646 -22.1562 -28.3646 21.7997 GPRESSAVG: 3005000 3.0128 -16.8038 -20.4065 -18.0177 14.2059 -29.3935 -22.2959 -26.7365 22.6544 TIMING: 3005000 CPU: 9490.62, 0.00317869/step Wall: 9490.62, 0.00317869/step, 1.76152 hours remaining, 237.121094 MB of memory in use. ENERGY: 3005000 4040.6386 20462.1088 14380.0750 242.2944 -203468.1089 2569.2643 0.0000 0.0000 52154.4122 -109619.3156 299.7321 -161773.7278 -109253.7813 299.0981 19.5713 57.5026 761487.0235 13.3709 13.2910 PRESSURE: 3005200 56.8863 -78.3658 326.407 -78.3663 17.1845 114.809 326.406 114.809 -196.773 GPRESSURE: 3005200 -12.8887 -105.039 192.216 -65.0013 111.691 129.565 283.464 -26.5147 -159.52 PRESSAVG: 3005200 -15.0712 -39.2362 -0.965959 -39.2362 44.1299 -55.0788 -0.965949 -55.0789 34.3914 GPRESSAVG: 3005200 -17.1409 -37.2241 -2.2371 -41.3788 46.0905 -55.0765 0.00664328 -56.1512 34.4811 TIMING: 3005200 CPU: 9491.26, 0.00317914/step Wall: 9491.26, 0.00317914/step, 1.7616 hours remaining, 237.121094 MB of memory in use. ENERGY: 3005200 3892.5141 20649.3967 14343.1531 252.0893 -203138.3166 2543.1066 0.0000 0.0000 51906.4602 -109551.5965 298.3071 -161458.0567 -109189.8999 298.9372 -40.9007 -20.2391 763198.9784 21.1501 21.1435 PRESSURE: 3005400 -724.721 -28.8357 -147.987 -28.8352 -426.716 124.33 -147.987 124.33 77.1715 GPRESSURE: 3005400 -602.516 -24.0573 -83.3005 -113.19 -438.645 170.216 -80.3464 42.7977 57.5237 PRESSAVG: 3005400 -42.3513 -33.2196 20.4905 -33.2196 58.1624 -14.0594 20.4905 -14.0595 18.8841 GPRESSAVG: 3005400 -41.8692 -35.9514 20.8794 -30.0334 57.7201 -14.2666 23.7449 -14.9205 18.8032 TIMING: 3005400 CPU: 9491.89, 0.003161/step Wall: 9491.89, 0.003161/step, 1.75137 hours remaining, 237.121094 MB of memory in use. ENERGY: 3005400 3968.7622 20536.5969 14371.6000 246.4716 -202778.6174 2087.3078 0.0000 0.0000 52053.8943 -109513.9846 299.1544 -161567.8789 -109147.3226 299.5373 -358.0887 -327.8789 762519.3436 11.5651 11.5514 PRESSURE: 3005600 396.557 -114.054 -127.189 -114.053 75.7658 17.9037 -127.188 17.9039 93.0022 GPRESSURE: 3005600 387.296 -146.53 -111.912 -231.783 93.478 21.5351 -182.713 -7.4988 167.11 PRESSAVG: 3005600 -46.2098 -46.0063 -10.2054 -46.0063 32.7399 29.9337 -10.2054 29.9338 14.8539 GPRESSAVG: 3005600 -46.2945 -46.8355 -10.4617 -47.6406 32.4821 31.1612 -11.7953 31.0096 15.4696 TIMING: 3005600 CPU: 9492.52, 0.00315653/step Wall: 9492.52, 0.00315653/step, 1.74872 hours remaining, 237.121094 MB of memory in use. ENERGY: 3005600 3994.6456 20626.2463 14386.7820 223.4106 -203537.9597 2660.8942 0.0000 0.0000 52193.2687 -109452.7122 299.9554 -161645.9810 -109089.9750 299.9229 188.4417 215.9615 762950.6940 0.4613 0.5524 PRESSURE: 3005800 56.5948 -233.724 1.68057 -233.724 -29.3085 111.94 1.67984 111.94 49.918 GPRESSURE: 3005800 145.663 -396.827 40.3393 -167.638 -40.1741 87.0816 -39.1952 101.971 63.8347 PRESSAVG: 3005800 29.6302 -8.08688 10.6285 -8.08685 -47.7007 14.4296 10.6284 14.4297 4.55068 GPRESSAVG: 3005800 29.6633 -6.22104 10.8369 -9.58445 -47.9498 12.5682 8.56975 12.9523 4.69447 TIMING: 3005800 CPU: 9493.15, 0.00314838/step Wall: 9493.15, 0.00314838/step, 1.74403 hours remaining, 237.121094 MB of memory in use. ENERGY: 3005800 4015.1146 20637.8736 14316.5060 236.0200 -203508.6945 2652.8244 0.0000 0.0000 52179.4368 -109470.9192 299.8759 -161650.3559 -109109.0526 299.6195 25.7348 56.4412 762392.6900 -4.5066 -4.5307 PRESSURE: 3006000 -489.236 -49.4447 -333.911 -49.445 -21.4147 159.698 -333.91 159.698 -52.2679 GPRESSURE: 3006000 -384.191 -55.5273 -301.012 -165.869 -139.817 102.008 -237.083 261.537 48.0541 PRESSAVG: 3006000 -23.922 -91.3262 15 -91.3261 8.53062 47.7142 15 47.7141 28.7079 GPRESSAVG: 3006000 -23.7182 -93.5732 15.7568 -90.4302 9.6234 49.5216 16.3848 48.6127 27.222 TIMING: 3006000 CPU: 9493.78, 0.00315091/step Wall: 9493.78, 0.00315091/step, 1.74525 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: 3006000 3950.5801 20566.4147 14354.4826 227.5087 -202951.9165 2310.0487 0.0000 0.0000 52144.7406 -109398.1411 299.6765 -161542.8817 -109033.7820 300.0807 -187.6395 -158.6513 763439.2083 4.4388 4.3757 PRESSURE: 3006200 212.796 -117.144 72.161 -117.144 485.064 -216.468 72.1607 -216.469 332.76 GPRESSURE: 3006200 302.918 -104.16 2.07211 26.8226 442.254 -205.209 39.1879 -186.604 387.007 PRESSAVG: 3006200 -29.6202 -51.2589 13.9226 -51.2589 46.6553 -18.2405 13.9227 -18.2406 17.5587 GPRESSAVG: 3006200 -29.1357 -47.7466 12.4605 -52.5751 44.8894 -19.8359 14.678 -19.4942 19.1837 TIMING: 3006200 CPU: 9494.41, 0.00315701/step Wall: 9494.41, 0.00315701/step, 1.74846 hours remaining, 237.121094 MB of memory in use. ENERGY: 3006200 3986.8103 20532.0395 14310.6358 255.4507 -203263.6854 2774.5115 0.0000 0.0000 52103.5308 -109300.7069 299.4397 -161404.2377 -108939.4266 299.5988 343.5398 377.3931 763217.4559 11.5313 11.6458 PRESSURE: 3006400 -105.289 -124.396 178.938 -124.397 -11.1169 58.1616 178.937 58.162 -129.699 GPRESSURE: 3006400 -118.322 -174.188 147.759 -132.12 48.4249 61.3212 204.206 110.849 -86.4639 PRESSAVG: 3006400 -47.0375 -43.7729 -3.45891 -43.7729 53.1471 -38.5939 -3.4589 -38.5939 -5.29765 GPRESSAVG: 3006400 -48.3436 -45.3802 -3.10641 -43.421 55.4951 -36.9739 -2.99161 -38.0879 -6.52935 TIMING: 3006400 CPU: 9495.05, 0.00316297/step Wall: 9495.05, 0.00316297/step, 1.75158 hours remaining, 237.121094 MB of memory in use. ENERGY: 3006400 3949.9087 20684.7114 14322.1825 241.5912 -202940.7903 2290.5138 0.0000 0.0000 52098.4129 -109353.4697 299.4103 -161451.8826 -109002.4088 298.8683 -82.0352 -52.1204 761549.4978 0.2707 0.2074 PRESSURE: 3006600 93.5397 -24.2221 70.7411 -24.2219 284.936 -233.782 70.7412 -233.781 296.074 GPRESSURE: 3006600 130.554 -1.21776 -27.468 -54.0684 407.566 -210.678 95.9191 -361.524 217.506 PRESSAVG: 3006600 -31.4388 -40.531 10.3497 -40.531 40.4952 22.9104 10.3497 22.9104 -5.61889 GPRESSAVG: 3006600 -30.2517 -40.714 11.3833 -38.2339 39.4834 22.0576 9.29653 24.9073 -5.79051 TIMING: 3006600 CPU: 9495.68, 0.00316503/step Wall: 9495.68, 0.00316503/step, 1.75254 hours remaining, 237.121094 MB of memory in use. ENERGY: 3006600 4087.4104 20647.8459 14353.3857 249.8879 -203272.7357 2556.8892 0.0000 0.0000 52026.5512 -109350.7653 298.9973 -161377.3165 -108986.2379 299.5817 224.8499 251.8754 760685.1748 1.1458 1.1471 PRESSURE: 3006800 -225.227 -239.694 60.9741 -239.692 -131.435 124.249 60.975 124.25 244.587 GPRESSURE: 3006800 -217.919 -222.493 19.7111 -284.167 -4.05534 212.543 182.489 2.93343 181.642 PRESSAVG: 3006800 -62.3137 -40.8683 -54.4059 -40.8682 57.8227 -19.8241 -54.4059 -19.824 -28.9632 GPRESSAVG: 3006800 -63.0034 -42.3942 -55.5582 -42.3539 59.9375 -21.4328 -54.4273 -20.5559 -30.454 TIMING: 3006800 CPU: 9496.31, 0.00317283/step Wall: 9496.31, 0.00317283/step, 1.75669 hours remaining, 237.121094 MB of memory in use. ENERGY: 3006800 4022.1053 20582.5630 14475.0198 262.2825 -203201.6444 2607.4605 0.0000 0.0000 52182.8152 -109069.3982 299.8954 -161252.2134 -108706.8780 300.2645 -37.3585 -13.4443 762992.7431 -11.1514 -11.1733 PRESSURE: 3007000 -97.1838 -71.9196 -41.5233 -71.9199 120.491 92.3297 -41.5229 92.3299 191.379 GPRESSURE: 3007000 17.9913 84.2682 -142.66 -57.3031 105.611 40.6594 -5.42596 202.199 184.784 PRESSAVG: 3007000 -4.64544 -69.2231 7.59029 -69.2231 24.2285 55.5287 7.5903 55.5288 7.64106 GPRESSAVG: 3007000 -4.05563 -66.3616 6.84483 -69.5808 21.9261 54.979 8.56543 54.9499 8.91522 TIMING: 3007000 CPU: 9496.94, 0.00315821/step Wall: 9496.94, 0.00315821/step, 1.74842 hours remaining, 237.121094 MB of memory in use. ENERGY: 3007000 3990.0916 20553.2772 14406.3989 237.7489 -202823.7437 2448.3971 0.0000 0.0000 52232.6376 -108955.1923 300.1817 -161187.8300 -108596.0438 300.5294 71.5622 102.7955 763056.4564 9.0747 8.9286 PRESSURE: 3007200 -311.888 -175.005 134.417 -175.005 90.9863 -307.11 134.417 -307.109 -14.0077 GPRESSURE: 3007200 -156.868 -201.127 133.582 -175.415 12.1128 -339.047 44.2346 -283.885 2.59394 PRESSAVG: 3007200 -12.5723 -31.6373 42.2968 -31.6373 67.6906 -6.08817 42.2969 -6.08827 -12.7411 GPRESSAVG: 3007200 -12.7371 -33.5778 43.1769 -31.6927 68.3002 -1.93302 40.3274 -8.21078 -12.7208 TIMING: 3007200 CPU: 9497.58, 0.00315364/step Wall: 9497.58, 0.00315364/step, 1.74571 hours remaining, 237.121094 MB of memory in use. ENERGY: 3007200 3988.8868 20584.5620 14356.3861 233.2158 -202836.0287 2414.1366 0.0000 0.0000 52260.1802 -108998.6612 300.3400 -161258.8414 -108642.2504 300.5160 -78.3032 -47.3870 761978.6656 14.1257 14.2808 PRESSURE: 3007400 -335.349 -57.8654 -3.51564 -57.8662 -159.34 159.724 -3.51488 159.725 -253.998 GPRESSURE: 3007400 -359.137 1.4138 32.3053 -38.1166 -83.7327 184.834 56.0925 161.198 -208.866 PRESSAVG: 3007400 14.4183 -34.9408 6.26042 -34.9408 6.1092 24.9069 6.26048 24.9069 4.59781 GPRESSAVG: 3007400 14.3005 -34.7395 5.84806 -35.6219 5.25578 22.2733 7.7074 26.9512 5.12785 TIMING: 3007400 CPU: 9498.21, 0.00314904/step Wall: 9498.21, 0.00314904/step, 1.743 hours remaining, 237.121094 MB of memory in use. ENERGY: 3007400 4135.8900 20487.6274 14391.3932 246.8413 -203045.3686 2437.2652 0.0000 0.0000 52154.0689 -109192.2827 299.7302 -161346.3515 -108820.0268 299.7479 -249.5625 -217.2452 762294.4544 8.3751 8.2280 PRESSURE: 3007600 141.611 126.739 -90.0665 126.74 75.763 -142.284 -90.0663 -142.283 21.7944 GPRESSURE: 3007600 105.986 104.902 -142.713 72.3571 139.975 -85.3108 -146.204 -129.799 82.7426 PRESSAVG: 3007600 1.40157 -15.433 -35.8182 -15.4331 -34.5436 47.1745 -35.8181 47.1746 12.1538 GPRESSAVG: 3007600 1.93832 -14.4672 -35.2282 -14.7039 -34.5392 47.1998 -36.0812 47.5044 11.3364 TIMING: 3007600 CPU: 9498.84, 0.00315791/step Wall: 9498.84, 0.00315791/step, 1.74773 hours remaining, 237.121094 MB of memory in use. ENERGY: 3007600 3980.8487 20480.1255 14398.4616 234.1490 -203103.3954 2554.7330 0.0000 0.0000 51974.2913 -109480.7864 298.6970 -161455.0778 -109109.0695 299.7148 79.7227 109.5678 760651.8949 -6.9961 -7.0881 PRESSURE: 3007800 111.683 57.6937 -54.4694 57.6929 -49.9991 85.5357 -54.4688 85.5358 -215.894 GPRESSURE: 3007800 224.852 38.231 -173.945 7.18051 -120.848 76.9699 -33.3399 90.0238 -173.361 PRESSAVG: 3007800 6.35657 -52.3683 -11.4225 -52.3684 36.8485 0.984112 -11.4224 0.98412 10.4223 GPRESSAVG: 3007800 6.42151 -51.4836 -11.667 -52.5135 36.795 0.857155 -11.6407 1.00332 9.9452 TIMING: 3007800 CPU: 9499.47, 0.00315907/step Wall: 9499.47, 0.00315907/step, 1.74819 hours remaining, 237.121094 MB of memory in use. ENERGY: 3007800 3984.9932 20362.1473 14394.3592 260.8411 -203212.7726 2475.8696 0.0000 0.0000 52191.9706 -109542.5915 299.9480 -161734.5621 -109181.0620 298.8333 -51.4032 -23.1189 761207.2613 17.8758 17.7206 PRESSURE: 3008000 -292.62 302.171 -106.85 302.171 -36.283 20.1043 -106.85 20.1051 -106.035 GPRESSURE: 3008000 -134.953 243.74 -137.854 123.057 -111.622 -69.1187 -134.011 87.4756 -117.136 PRESSAVG: 3008000 24.9033 -0.0999053 4.4225 -0.0999698 -18.1601 -41.9401 4.42248 -41.9402 0.739218 GPRESSAVG: 3008000 24.2067 -2.53191 3.74621 -0.594785 -18.4749 -41.124 4.79497 -41.7338 1.9452 TIMING: 3008000 CPU: 9500.1, 0.00315475/step Wall: 9500.1, 0.00315475/step, 1.74563 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: 3008000 4117.1074 20495.8581 14378.9235 242.6416 -203358.2586 2499.8347 0.0000 0.0000 52148.1227 -109475.7706 299.6960 -161623.8933 -109120.9828 299.0487 -144.9794 -121.2369 760504.8556 2.4941 2.5590 PRESSURE: 3008200 52.6511 -249.738 -135.541 -249.738 -56.0907 -1.49917 -135.542 -1.4994 2.97625 GPRESSURE: 3008200 101.31 -147.785 -77.2592 -200.197 -70.8666 28.1595 -116.397 101.721 32.8694 PRESSAVG: 3008200 38.9119 -16.1485 -93.0163 -16.1485 2.56344 -54.9581 -93.0164 -54.9582 4.09414 GPRESSAVG: 3008200 39.2328 -16.0889 -91.8203 -14.7757 1.91388 -54.6555 -93.0683 -56.7906 3.59542 TIMING: 3008200 CPU: 9500.73, 0.00316507/step Wall: 9500.73, 0.00316507/step, 1.75116 hours remaining, 237.121094 MB of memory in use. ENERGY: 3008200 3875.7619 20576.9290 14361.0242 266.2035 -202877.2940 2457.7310 0.0000 0.0000 51882.4120 -109457.2324 298.1689 -161339.6444 -109102.9951 299.4995 -0.1544 21.1044 762909.9342 15.1898 14.9140 LDB: ============= START OF LOAD BALANCING ============== 9513.26 LDB: ============== END OF LOAD BALANCING =============== 9513.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9513.27 LDB: ============= START OF LOAD BALANCING ============== 9513.58 LDB: Largest compute 7075 load 0.031353 is 16.0% of average load 0.195571 LDB: Average compute 0.004388 is 2.2% of average load 0.195571 LDB: TIME 9513.59 LOAD: AVG 0.195571 MAX 0.214035 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.543 MB LDB: TIME 9513.59 LOAD: AVG 0.195571 MAX 0.214035 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: TIME 9513.59 LOAD: AVG 0.195571 MAX 0.214035 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: ============== END OF LOAD BALANCING =============== 9513.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9513.59 PRESSURE: 3008400 163.91 121.641 15.7311 121.641 219.135 -235.666 15.7309 -235.666 250.278 GPRESSURE: 3008400 119.64 113.571 14.6221 21.9009 335.317 -275.854 11.4214 -159.962 255.287 PRESSAVG: 3008400 -9.27488 5.10698 -23.931 5.10697 -6.408 26.2012 -23.931 26.2012 10.3746 GPRESSAVG: 3008400 -10.3841 6.38259 -23.9644 4.33785 -5.89823 26.193 -21.9002 25.374 10.7267 TIMING: 3008400 CPU: 9501.38, 0.00321865/step Wall: 9501.38, 0.00321865/step, 1.78063 hours remaining, 236.164062 MB of memory in use. ENERGY: 3008400 3905.8886 20450.9672 14370.3946 233.3193 -203754.8406 2821.7406 0.0000 0.0000 52226.6079 -109745.9225 300.1470 -161972.5304 -109381.7977 299.0282 211.1079 236.7483 760182.6692 -1.7694 -1.8519 PRESSURE: 3008600 -152.92 -246.719 -38.7287 -246.718 -219.778 223.129 -38.7296 223.13 -28.9391 GPRESSURE: 3008600 -195.514 -239.51 2.40038 -230.053 -53.9993 230.316 -82.354 249.141 -72.3002 PRESSAVG: 3008600 -4.99298 -42.1869 -61.6937 -42.1869 4.15962 -1.86534 -61.6938 -1.86537 17.6106 GPRESSAVG: 3008600 -4.87785 -43.0065 -60.1686 -42.3051 4.01109 -3.837 -63.7248 0.707008 17.8123 TIMING: 3008600 CPU: 9502.01, 0.00316086/step Wall: 9502.01, 0.00316086/step, 1.74848 hours remaining, 236.367188 MB of memory in use. ENERGY: 3008600 4010.5687 20377.7715 14379.6930 252.7308 -203387.6529 2416.7468 0.0000 0.0000 52039.6264 -109910.5157 299.0724 -161950.1421 -109545.7120 298.8252 -133.8789 -107.2712 760700.0888 5.5924 5.6485 PRESSURE: 3008800 -422.608 -103.054 52.7451 -103.054 108.445 -55.56 52.7451 -55.5595 63.4563 GPRESSURE: 3008800 -281.638 -49.8279 48.5429 27.6548 -4.14457 -95.1705 87.3586 -49.4872 117.879 PRESSAVG: 3008800 -51.7814 10.0203 39.4562 10.0203 66.128 22.758 39.4561 22.7579 -35.3969 GPRESSAVG: 3008800 -53.1115 9.71628 36.0552 9.77573 66.9588 24.3537 41.1957 21.5568 -34.3947 TIMING: 3008800 CPU: 9502.64, 0.00314284/step Wall: 9502.64, 0.00314284/step, 1.73834 hours remaining, 236.628906 MB of memory in use. ENERGY: 3008800 4033.8094 20375.6865 14425.1170 242.8318 -203513.1336 2539.9025 0.0000 0.0000 51994.8815 -109900.9049 298.8153 -161895.7864 -109530.4674 298.0798 -83.5686 -55.9680 760140.6082 -7.0168 -6.8491 PRESSURE: 3009000 -146.508 -173.334 -111.84 -173.334 -133.141 -59.7702 -111.84 -59.7701 268.044 GPRESSURE: 3009000 -128.317 -96.2818 -93.9441 -115.366 -89.2111 -85.5836 -83.0252 3.63629 257.968 PRESSAVG: 3009000 30.1254 -7.00252 34.9234 -7.0026 -51.1285 -32.7022 34.9234 -32.7024 12.5499 GPRESSAVG: 3009000 31.0969 -3.69209 37.8872 -7.53252 -52.1181 -33.6374 34.1624 -33.1482 11.6362 TIMING: 3009000 CPU: 9503.27, 0.00315073/step Wall: 9503.27, 0.00315073/step, 1.74253 hours remaining, 236.628906 MB of memory in use. ENERGY: 3009000 3980.6527 20455.3811 14380.1590 237.9295 -203595.5264 2633.0792 0.0000 0.0000 51898.3399 -110009.9850 298.2605 -161908.3249 -109628.9566 298.1279 -3.8685 13.4798 760344.6231 -2.8177 -3.1283 PRESSURE: 3009200 -186.959 -60.0854 167.015 -60.0854 -159.778 -172.897 167.014 -172.898 133.627 GPRESSURE: 3009200 -146.431 -3.57244 117.438 -54.8144 -123.797 -186.849 137.785 -14.6371 167.033 PRESSAVG: 3009200 59.5542 -35.3379 -12.9074 -35.3379 -66.0948 -42.8927 -12.9074 -42.8927 10.7364 GPRESSAVG: 3009200 58.3333 -37.9032 -13.4412 -34.8012 -65.4144 -40.8693 -14.3186 -42.9477 11.7538 TIMING: 3009200 CPU: 9503.9, 0.00315794/step Wall: 9503.9, 0.00315794/step, 1.74634 hours remaining, 236.628906 MB of memory in use. ENERGY: 3009200 4015.0151 20341.5585 14326.2730 242.9173 -203664.1029 2827.3678 0.0000 0.0000 52012.3975 -109898.5736 298.9160 -161910.9711 -109526.1387 298.2754 -71.0366 -34.3982 762374.4757 1.3986 1.5576 PRESSURE: 3009400 -227.411 -66.749 -88.5942 -66.7492 123.279 -152.157 -88.5943 -152.157 49.8442 GPRESSURE: 3009400 -142.996 -68.8494 -117.866 -60.1303 48.2455 -183.843 -141.733 66.0927 113.215 PRESSAVG: 3009400 -28.4757 -65.7107 -26.5 -65.7106 2.71563 -24.317 -26.5 -24.317 -8.14305 GPRESSAVG: 3009400 -27.7117 -67.7303 -28.0572 -64.0395 2.33412 -27.5637 -25.0798 -21.2172 -8.68229 TIMING: 3009400 CPU: 9504.53, 0.00317089/step Wall: 9504.53, 0.00317089/step, 1.75332 hours remaining, 236.628906 MB of memory in use. ENERGY: 3009400 4042.3468 20611.7317 14383.7747 238.6062 -203516.3581 2625.1333 0.0000 0.0000 51971.5815 -109643.1838 298.6814 -161614.7653 -109299.1499 298.7580 -18.0958 6.1550 761221.8409 -11.3010 -11.3533 PRESSURE: 3009600 96.59 -141.705 236.951 -141.705 368.027 95.7423 236.95 95.7421 598.664 GPRESSURE: 3009600 183.013 -179.557 198.829 -51.7365 332.291 61.0472 203.116 -25.4039 628.004 PRESSAVG: 3009600 2.27567 -44.7729 -6.09138 -44.7729 22.4429 26.6193 -6.09133 26.6194 11.3419 GPRESSAVG: 3009600 1.10272 -44.5576 -5.89566 -43.3511 23.1288 28.2184 -8.55349 23.3896 11.6319 TIMING: 3009600 CPU: 9505.16, 0.0031499/step Wall: 9505.16, 0.0031499/step, 1.74154 hours remaining, 236.628906 MB of memory in use. ENERGY: 3009600 3941.1656 20442.3866 14353.4843 246.9979 -204333.0543 3232.6930 0.0000 0.0000 52231.1275 -109885.1994 300.1730 -162116.3268 -109523.3608 298.8382 354.4270 381.1028 759435.0579 12.0201 11.9545 PRESSURE: 3009800 -82.2189 205.26 52.8181 205.26 -164.881 16.7064 52.8175 16.7058 -136.4 GPRESSURE: 3009800 -69.6684 108.821 74.9522 222.569 -37.8693 -73.5495 107.871 57.9039 -167.866 PRESSAVG: 3009800 0.456974 -29.3604 35.3764 -29.3604 -6.45623 35.778 35.3764 35.7781 -9.1498 GPRESSAVG: 3009800 1.42835 -27.4259 36.4852 -30.5181 -6.5476 35.623 37.657 36.3584 -9.3272 TIMING: 3009800 CPU: 9505.79, 0.00314476/step Wall: 9505.79, 0.00314476/step, 1.73853 hours remaining, 236.628906 MB of memory in use. ENERGY: 3009800 4002.3646 20565.2656 14396.6780 236.1618 -203471.8282 2214.7040 0.0000 0.0000 51963.6743 -110092.9799 298.6360 -162056.6542 -109726.8633 298.7160 -127.8331 -91.8012 760163.1081 -5.0497 -4.8155 PRESSURE: 3010000 -44.5282 56.2852 397.48 56.2853 -309.021 133.896 397.479 133.896 146.466 GPRESSURE: 3010000 -22.0632 112.351 472.402 109.115 -242.225 135.303 208.743 -25.0221 134.031 PRESSAVG: 3010000 44.4979 6.45118 -16.129 6.4512 -21.7775 -10.1014 -16.1289 -10.1015 -10.957 GPRESSAVG: 3010000 43.7612 5.0327 -15.0261 5.28084 -21.2345 -10.5813 -16.9324 -10.8766 -11.4223 TIMING: 3010000 CPU: 9506.42, 0.00315133/step Wall: 9506.42, 0.00315133/step, 1.74198 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: 3010000 4011.1824 20411.5267 14326.7439 260.1610 -203897.4420 2417.6712 0.0000 0.0000 52211.1449 -110259.0119 300.0582 -162470.1568 -109892.9484 298.5389 -69.0279 -43.4191 758460.5663 3.9211 3.7015 PRESSURE: 3010200 -279.43 -89.7535 -65.7522 -89.7543 84.3185 112.868 -65.7526 112.868 -240.755 GPRESSURE: 3010200 -231.274 -122.885 -101.446 38.8667 75.7933 100.173 35.572 76.1432 -194.693 PRESSAVG: 3010200 7.14027 -48.9133 -56.7725 -48.9134 24.8624 26.5133 -56.7726 26.5134 23.3005 GPRESSAVG: 3010200 7.66544 -48.8218 -57.839 -48.5366 23.1922 26.3233 -57.7941 27.8112 24.4434 TIMING: 3010200 CPU: 9507.05, 0.00316181/step Wall: 9507.05, 0.00316181/step, 1.7476 hours remaining, 236.730469 MB of memory in use. ENERGY: 3010200 3934.6287 20560.8493 14383.8780 243.9067 -203405.6221 2302.1228 0.0000 0.0000 51817.2450 -110162.9916 297.7944 -161980.2365 -109791.3796 298.3595 -145.2890 -116.7246 760429.5423 18.4344 18.4337 PRESSURE: 3010400 -84.8871 55.7103 -361.809 55.7098 218.801 178.918 -361.808 178.918 20.8219 GPRESSURE: 3010400 5.24269 72.4405 -294.315 54.6874 225.913 108.466 -351.873 109.348 32.3545 PRESSAVG: 3010400 31.2185 -87.0217 -12.9331 -87.0217 2.62933 47.6719 -12.9331 47.672 15.2597 GPRESSAVG: 3010400 30.8289 -87.1712 -11.5536 -87.527 4.09019 48.1455 -12.2382 46.6064 14.2194 TIMING: 3010400 CPU: 9507.69, 0.00315628/step Wall: 9507.69, 0.00315628/step, 1.74437 hours remaining, 236.730469 MB of memory in use. ENERGY: 3010400 4014.5519 20637.5153 14493.4969 241.1272 -203791.3205 2765.8904 0.0000 0.0000 51546.2629 -110092.4758 296.2371 -161638.7388 -109742.5935 298.1682 51.5787 87.8368 760492.4106 16.3692 16.3795 PRESSURE: 3010600 -296.47 -80.3083 261.815 -80.3092 -396.406 -204.37 261.815 -204.371 -371.607 GPRESSURE: 3010600 -266.11 -87.5671 345.54 -123.189 -363.094 -259.031 212.146 -77.9141 -327.348 PRESSAVG: 3010600 20.0605 -46.6224 -10.1624 -46.6223 -23.1745 -6.30314 -10.1624 -6.30319 0.979535 GPRESSAVG: 3010600 20.9194 -45.5279 -11.3545 -46.5773 -24.7406 -7.22558 -9.14312 -5.59942 1.78169 TIMING: 3010600 CPU: 9508.31, 0.00314381/step Wall: 9508.31, 0.00314381/step, 1.73731 hours remaining, 236.730469 MB of memory in use. ENERGY: 3010600 3915.5297 20464.4192 14484.6776 255.3614 -203486.2134 2316.1069 0.0000 0.0000 51800.7153 -110249.4034 297.6994 -162050.1187 -109890.1981 298.4069 -354.8278 -318.8507 760296.4276 -0.7115 -0.6799 PRESSURE: 3010800 153.57 -23.6619 159.849 -23.6619 405.532 -31.261 159.849 -31.2617 98.1683 GPRESSURE: 3010800 247.508 23.0261 170.997 86.3936 468.859 -64.8447 221.227 -7.47981 32.6539 PRESSAVG: 3010800 -17.6186 -81.7991 7.83164 -81.7991 5.19763 10.1478 7.83171 10.1477 -25.6325 GPRESSAVG: 3010800 -18.471 -84.3913 6.33605 -78.4772 7.38171 10.0429 8.26715 11.9082 -26.4121 TIMING: 3010800 CPU: 9508.94, 0.00314942/step Wall: 9508.94, 0.00314942/step, 1.74023 hours remaining, 236.730469 MB of memory in use. ENERGY: 3010800 3956.0281 20334.2961 14335.1696 246.8873 -204241.9229 2978.2495 0.0000 0.0000 52004.4468 -110386.8453 298.8703 -162391.2921 -110035.3330 297.6076 219.0902 249.6737 759064.8276 -12.6845 -12.5005 PRESSURE: 3011000 237.868 70.0375 195.672 70.0374 328.085 -82.1079 195.672 -82.1079 124.702 GPRESSURE: 3011000 261.263 -66.1291 331.635 69.7058 337.432 -160.464 216.512 -4.53504 173.975 PRESSAVG: 3011000 -13.1776 -21.1718 15.4018 -21.1718 54.2555 7.20181 15.4017 7.20181 23.08 GPRESSAVG: 3011000 -13.1147 -19.3269 17.7078 -24.4501 54.0862 8.62015 14.3967 5.54679 23.4229 TIMING: 3011000 CPU: 9509.58, 0.0031606/step Wall: 9509.58, 0.0031606/step, 1.74623 hours remaining, 236.730469 MB of memory in use. ENERGY: 3011000 4013.1313 20569.5442 14364.9085 249.8463 -203579.5418 2664.9583 0.0000 0.0000 51558.9528 -110158.2004 296.3100 -161717.1532 -109802.6061 297.6772 230.2183 257.5566 759440.8218 21.3860 21.4648 PRESSURE: 3011200 117.513 -382.716 -63.9851 -382.716 -453.975 -94.029 -63.9848 -94.0287 -69.4818 GPRESSURE: 3011200 148.076 -271.001 -28.2325 -263.008 -445.167 -141.276 -48.7335 -178.443 -30.7762 PRESSAVG: 3011200 0.218531 -20.2418 11.8392 -20.2418 4.46982 -9.51768 11.8392 -9.51775 -10.3004 GPRESSAVG: 3011200 1.09172 -19.4578 11.5834 -19.2276 2.98004 -11.3121 11.7889 -7.67262 -9.92394 TIMING: 3011200 CPU: 9510.21, 0.00314476/step Wall: 9510.21, 0.00314476/step, 1.7373 hours remaining, 236.730469 MB of memory in use. ENERGY: 3011200 3987.5473 20405.5876 14414.4919 259.6137 -203385.6850 2600.7355 0.0000 0.0000 51830.3638 -109887.3452 297.8698 -161717.7090 -109524.9181 298.1064 -135.3144 -109.2891 761171.5357 -1.8707 -1.9507 PRESSURE: 3011400 50.738 -6.38199 -173.827 -6.38268 268.427 249.516 -173.829 249.515 -318.013 GPRESSURE: 3011400 60.7132 -55.911 -184.6 5.66695 331.58 301.833 -243.663 131.975 -306.904 PRESSAVG: 3011400 -6.52596 -14.4365 -12.3212 -14.4365 -11.1291 20.4937 -12.3211 20.4937 -13.2327 GPRESSAVG: 3011400 -7.39066 -14.3993 -12.7579 -16.9592 -9.55261 21.5154 -12.3208 18.2069 -13.4338 TIMING: 3011400 CPU: 9510.84, 0.00316608/step Wall: 9510.84, 0.00316608/step, 1.74891 hours remaining, 236.730469 MB of memory in use. ENERGY: 3011400 4017.2918 20582.7054 14457.1698 240.0251 -203447.1699 2636.8978 0.0000 0.0000 51627.5887 -109885.4914 296.7045 -161513.0800 -109533.6000 298.3561 0.3842 28.4632 760713.4822 -10.2959 -10.1257 PRESSURE: 3011600 146.623 88.1591 170.624 88.1585 -301.86 -14.6322 170.626 -14.6311 56.5814 GPRESSURE: 3011600 241.424 73.078 101.503 121.277 -333.637 -15.0417 82.4765 -60.3563 87.5629 PRESSAVG: 3011600 -28.9156 -26.664 4.75556 -26.6641 15.2676 -4.03481 4.75564 -4.03478 -4.2875 GPRESSAVG: 3011600 -28.3729 -27.2198 3.30628 -25.133 14.4247 -4.26685 5.00534 -4.98815 -4.36263 TIMING: 3011600 CPU: 9511.47, 0.00317834/step Wall: 9511.47, 0.00317834/step, 1.7555 hours remaining, 236.730469 MB of memory in use. ENERGY: 3011600 3923.0339 20279.2000 14398.2382 248.6370 -203396.2475 2547.9477 0.0000 0.0000 52221.4376 -109777.7530 300.1173 -161999.1906 -109414.0235 298.2860 -32.8851 -1.5500 760924.0604 -5.9785 -6.1036 PRESSURE: 3011800 -75.905 -87.8062 159.072 -87.8065 -220.112 -139.488 159.073 -139.488 -37.733 GPRESSURE: 3011800 -131.686 -24.2013 217.429 -33.6486 -140.605 -79.3408 60.3666 -68.2353 31.6546 PRESSAVG: 3011800 -15.0044 39.5498 -3.45406 39.5499 27.9127 18.4816 -3.454 18.4816 5.85144 GPRESSAVG: 3011800 -15.3405 38.688 -2.40267 39.2515 28.6309 17.5666 -3.39149 21.0296 5.73287 TIMING: 3011800 CPU: 9512.1, 0.0031533/step Wall: 9512.1, 0.0031533/step, 1.7415 hours remaining, 236.730469 MB of memory in use. ENERGY: 3011800 4031.0059 20344.1449 14380.9459 243.7040 -203530.1647 2834.3293 0.0000 0.0000 51878.2680 -109817.7669 298.1451 -161696.0348 -109461.8381 298.1096 -111.2502 -80.2123 759885.5091 6.2532 6.3411 PRESSURE: 3012000 -133.507 -21.7971 120.013 -21.7968 -30.7097 -38.567 120.012 -38.5653 -90.6841 GPRESSURE: 3012000 -161.679 -90.6393 129.979 58.3133 -14.4616 -54.0823 35.1134 -114.588 0.00482137 PRESSAVG: 3012000 -8.7794 34.2586 -27.0425 34.2586 52.49 4.59931 -27.0425 4.59927 3.85326 GPRESSAVG: 3012000 -9.33622 33.5099 -27.3735 35.8411 51.8081 6.18413 -28.6541 3.95607 5.11249 TIMING: 3012000 CPU: 9512.73, 0.00314394/step Wall: 9512.73, 0.00314394/step, 1.73615 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: 3012000 3998.1807 20223.5157 14329.7493 246.7361 -203305.3755 2628.6057 0.0000 0.0000 52106.3107 -109772.2772 299.4557 -161878.5880 -109411.7442 298.6875 -84.9669 -58.7120 763696.5345 15.8546 15.8615 PRESSURE: 3012200 -256.132 -19.3193 -130.603 -19.3195 241.328 -7.35704 -130.604 -7.35746 240.297 GPRESSURE: 3012200 -135.018 -46.4656 -130.589 6.49469 188.468 -53.4874 -193.945 65.0636 252.871 PRESSAVG: 3012200 -27.642 -73.1687 11.2262 -73.1687 -5.40297 10.9319 11.2262 10.932 29.41 GPRESSAVG: 3012200 -26.698 -71.5581 11.6694 -74.6897 -4.40734 9.81914 11.3824 11.3222 28.2324 TIMING: 3012200 CPU: 9513.36, 0.00315252/step Wall: 9513.36, 0.00315252/step, 1.74072 hours remaining, 236.730469 MB of memory in use. ENERGY: 3012200 3977.8780 20335.7327 14466.2331 240.2669 -203531.5411 2847.7345 0.0000 0.0000 51839.6836 -109824.0123 297.9234 -161663.6959 -109461.6802 298.2717 75.1644 102.1072 762466.1885 -1.2117 -0.9577 LDB: ============= START OF LOAD BALANCING ============== 9525.89 LDB: ============== END OF LOAD BALANCING =============== 9525.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9525.9 LDB: ============= START OF LOAD BALANCING ============== 9526.21 LDB: Largest compute 7075 load 0.031337 is 16.0% of average load 0.195534 LDB: Average compute 0.004383 is 2.2% of average load 0.195534 LDB: TIME 9526.22 LOAD: AVG 0.195534 MAX 0.213885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.023 MB LDB: TIME 9526.22 LOAD: AVG 0.195534 MAX 0.213885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: TIME 9526.22 LOAD: AVG 0.195534 MAX 0.213885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.047 MB LDB: ============== END OF LOAD BALANCING =============== 9526.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9526.22 PRESSURE: 3012400 -637.728 -2.85561 17.4406 -2.85538 56.0936 -26.8748 17.4414 -26.8751 -21.2873 GPRESSURE: 3012400 -538.549 37.3262 -2.16052 38.6199 -34.8211 -6.90181 64.7697 47.0429 34.5719 PRESSAVG: 3012400 3.03067 -43.5386 -40.8525 -43.5386 -23.7529 37.4735 -40.8525 37.4735 -11.1845 GPRESSAVG: 3012400 2.36851 -46.1224 -40.7377 -42.998 -23.7317 37.5569 -40.0127 36.5334 -11.0453 TIMING: 3012400 CPU: 9514.01, 0.0032096/step Wall: 9514.01, 0.0032096/step, 1.77205 hours remaining, 235.925781 MB of memory in use. ENERGY: 3012400 4038.6573 20407.6676 14372.0938 254.3460 -203614.8386 2729.7577 0.0000 0.0000 51890.9490 -109921.3672 298.2180 -161812.3162 -109564.2739 298.2884 -200.9741 -179.5996 762402.7970 -10.6356 -10.8028 PRESSURE: 3012600 -183.107 12.9759 -203.681 12.9758 134.856 23.5577 -203.681 23.5577 247.536 GPRESSURE: 3012600 -142.211 130.357 -201.338 68.1443 184.521 38.3189 -160.615 -11.8939 255.061 PRESSAVG: 3012600 5.43206 -42.606 7.62545 -42.606 37.833 -7.24282 7.62545 -7.24284 32.6891 GPRESSAVG: 3012600 5.77989 -40.3027 8.40822 -41.2639 36.7646 -5.92685 6.42565 -6.31994 33.4996 TIMING: 3012600 CPU: 9514.64, 0.00314849/step Wall: 9514.64, 0.00314849/step, 1.73814 hours remaining, 236.386719 MB of memory in use. ENERGY: 3012600 3976.1416 20588.0772 14474.1145 248.0733 -203812.5567 2844.7650 0.0000 0.0000 51879.6998 -109801.6854 298.1533 -161681.3852 -109447.3927 298.2731 66.4282 99.1238 759546.7776 25.3180 25.3480 PRESSURE: 3012800 147.397 -50.69 21.7401 -50.691 190.644 103.863 21.7408 103.864 -387.816 GPRESSURE: 3012800 57.8319 34.6782 1.43854 -97.1104 266.143 102.125 25.9393 97.7515 -288.985 PRESSAVG: 3012800 -21.4397 -33.7785 6.06785 -33.7785 13.4708 -24.511 6.06785 -24.5109 1.90549 GPRESSAVG: 3012800 -22.4895 -34.6247 5.66097 -33.3005 15.5668 -24.7284 7.39232 -23.2715 1.46867 TIMING: 3012800 CPU: 9515.27, 0.00314727/step Wall: 9515.27, 0.00314727/step, 1.73729 hours remaining, 236.457031 MB of memory in use. ENERGY: 3012800 4065.2001 20503.2151 14438.7928 241.8829 -203530.5769 2729.9125 0.0000 0.0000 51747.7996 -109803.7739 297.3953 -161551.5735 -109444.6062 298.1751 -16.5917 11.6634 761498.7692 -2.0211 -1.8180 PRESSURE: 3013000 -83.9486 87.7427 0.286777 87.7429 -388.271 100.244 0.287084 100.245 124.773 GPRESSURE: 3013000 -46.29 41.6685 -25.7081 121.438 -288.641 62.7856 -59.8843 198.875 74.4033 PRESSAVG: 3013000 30.6087 -46.7389 -15.2454 -46.7389 -6.54121 -21.1182 -15.2454 -21.1182 18.1702 GPRESSAVG: 3013000 29.8489 -47.7254 -16.9034 -46.8983 -6.65508 -20.1635 -14.1586 -20.426 18.2039 TIMING: 3013000 CPU: 9515.89, 0.00313584/step Wall: 9515.89, 0.00313584/step, 1.73081 hours remaining, 236.457031 MB of memory in use. ENERGY: 3013000 3995.6985 20303.3638 14464.8021 245.3003 -203574.8662 2427.0824 0.0000 0.0000 52030.4337 -110108.1853 299.0196 -162138.6190 -109733.0351 298.1673 -115.8158 -86.8427 759312.2856 14.0792 13.7992 PRESSURE: 3013200 14.5376 -141.043 12.1234 -141.043 469.488 -99.8048 12.1235 -99.8042 -37.3376 GPRESSURE: 3013200 102.609 4.81556 42.2095 -307.5 471.404 -92.5777 2.88992 -186.485 -30.0357 PRESSAVG: 3013200 6.1371 -14.1671 -25.7356 -14.1671 23.5831 0.514533 -25.7355 0.514539 19.3941 GPRESSAVG: 3013200 6.70662 -14.0507 -24.3247 -15.6653 22.0679 -0.00559132 -26.7158 -1.82537 20.4129 TIMING: 3013200 CPU: 9516.52, 0.00316227/step Wall: 9516.52, 0.00316227/step, 1.74522 hours remaining, 236.660156 MB of memory in use. ENERGY: 3013200 3959.0867 20557.1985 14321.6308 255.9841 -204296.6353 3250.4301 0.0000 0.0000 51838.3076 -110113.9975 297.9155 -161952.3051 -109762.2364 297.3374 148.8960 181.3258 759868.9659 16.3714 16.3958 PRESSURE: 3013400 364.981 -123.722 -116.939 -123.721 14.5238 -159.156 -116.94 -159.156 166.034 GPRESSURE: 3013400 418.275 43.8511 -169.357 -35.9533 21.462 -79.6128 -177.035 -133.341 174.416 PRESSAVG: 3013400 -37.9585 -80.6326 -35.1283 -80.6326 -4.82249 17.7752 -35.1283 17.7752 -13.7557 GPRESSAVG: 3013400 -37.9443 -81.1936 -37.7416 -80.1969 -4.82517 17.1594 -34.3635 17.9523 -13.8374 TIMING: 3013400 CPU: 9517.15, 0.0031466/step Wall: 9517.15, 0.0031466/step, 1.7364 hours remaining, 236.660156 MB of memory in use. ENERGY: 3013400 3905.1912 20547.6310 14469.3220 225.1510 -203612.0687 2695.3664 0.0000 0.0000 52027.1792 -109742.2278 299.0009 -161769.4071 -109377.7693 298.1373 181.8463 204.7176 760049.8945 -18.8456 -18.8690 PRESSURE: 3013600 101.571 -151.071 -78.0809 -151.072 441.838 113.99 -78.0807 113.991 11.3158 GPRESSURE: 3013600 160.972 -180.1 38.6496 -65.4937 458.736 73.1154 -85.9635 206.305 42.8988 PRESSAVG: 3013600 18.0777 7.84197 -26.6921 7.84205 -43.9879 -20.216 -26.6921 -20.2159 34.9516 GPRESSAVG: 3013600 18.8748 9.5436 -24.5695 7.64 -43.8106 -20.8726 -27.3036 -18.3579 33.5975 TIMING: 3013600 CPU: 9517.79, 0.00316174/step Wall: 9517.79, 0.00316174/step, 1.74458 hours remaining, 236.660156 MB of memory in use. ENERGY: 3013600 3893.6071 20408.8147 14409.1320 239.7950 -203249.4197 2465.5354 0.0000 0.0000 51957.0470 -109875.4885 298.5979 -161832.5355 -109509.2417 298.2469 184.9085 220.8690 759056.6099 3.0138 2.8872 PRESSURE: 3013800 -99.288 -31.6297 -254.516 -31.6295 48.0639 -87.6776 -254.518 -87.6756 26.3759 GPRESSURE: 3013800 -57.5263 -23.5437 -203.239 27.5955 14.7419 -177.416 -350.436 25.1249 80.0779 PRESSAVG: 3013800 -19.6412 16.1765 -37.3151 16.1764 13.8245 -51.7628 -37.3151 -51.763 5.99475 GPRESSAVG: 3013800 -20.8879 15.6731 -38.3106 18.6719 14.2528 -51.026 -37.5403 -52.7959 6.2797 TIMING: 3013800 CPU: 9518.42, 0.00316654/step Wall: 9518.42, 0.00316654/step, 1.74705 hours remaining, 236.660156 MB of memory in use. ENERGY: 3013800 3960.7436 20587.2943 14388.5137 225.7128 -203676.3597 2522.4308 0.0000 0.0000 52058.5264 -109933.1382 299.1811 -161991.6646 -109575.7196 298.4743 -8.2827 12.4311 759843.2197 0.0593 -0.1185 PRESSURE: 3014000 -388.319 228.015 -66.3895 228.015 -501.411 95.7278 -66.3895 95.7278 83.787 GPRESSURE: 3014000 -356.003 207.921 -47.4144 85.0957 -445.348 160.917 -76.5304 192.269 78.9825 PRESSAVG: 3014000 32.2084 -6.53974 -56.0871 -6.53977 4.33708 -6.11444 -56.0871 -6.11449 11.85 GPRESSAVG: 3014000 31.7261 -7.39891 -55.2441 -9.31533 4.34061 -5.25039 -57.1939 -5.54943 12.1652 TIMING: 3014000 CPU: 9519.05, 0.00315341/step Wall: 9519.05, 0.00315341/step, 1.73963 hours remaining, 236.660156 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: 3014000 4027.4395 20736.3959 14374.6789 249.6181 -203386.1567 2338.1650 0.0000 0.0000 51683.9135 -109975.9458 297.0282 -161659.8593 -109623.1992 298.2403 -268.6474 -240.7893 759027.0893 16.1318 16.0773 PRESSURE: 3014200 -58.8316 64.125 -6.37374 64.1254 -8.10276 -112.364 -6.37415 -112.363 -468.507 GPRESSURE: 3014200 4.4497 12.3501 109.632 107.71 24.8417 -115.538 -57.1108 -201.529 -485.028 PRESSAVG: 3014200 19.6713 14.6342 -54.6672 14.6343 -2.23801 28.5899 -54.6672 28.5898 -8.03875 GPRESSAVG: 3014200 20.2506 15.4487 -55.2693 15.6946 -1.98839 27.2378 -52.8124 26.7987 -8.5873 TIMING: 3014200 CPU: 9519.68, 0.00314315/step Wall: 9519.68, 0.00314315/step, 1.73379 hours remaining, 236.660156 MB of memory in use. ENERGY: 3014200 4006.5241 20407.8478 14387.7480 256.4981 -203684.3205 2657.3725 0.0000 0.0000 52102.9999 -109865.3301 299.4367 -161968.3300 -109501.6269 298.1639 -178.4804 -151.9123 759667.2488 3.1315 3.2250 PRESSURE: 3014400 -330.14 163.859 169.828 163.86 367.132 65.6306 169.828 65.6303 702.893 GPRESSURE: 3014400 -223.724 103.515 165.481 240.511 317.565 -29.9953 168.751 51.3439 716.011 PRESSAVG: 3014400 -47.0654 36.1107 34.1947 36.1107 14.4378 16.02 34.1947 16.0199 -17.1706 GPRESSAVG: 3014400 -46.6247 35.094 34.4342 36.0531 13.4633 15.9353 35.2853 18.5935 -17.0543 TIMING: 3014400 CPU: 9520.3, 0.00312177/step Wall: 9520.3, 0.00312177/step, 1.72183 hours remaining, 236.660156 MB of memory in use. ENERGY: 3014400 4013.9973 20498.3215 14408.2640 237.3909 -203541.9334 2534.0232 0.0000 0.0000 51933.9637 -109915.9729 298.4652 -161849.9366 -109553.8550 298.6902 246.6283 269.9507 760797.3184 -16.5994 -16.7386 PRESSURE: 3014600 -219.824 -212.122 -105.064 -212.122 -60.0608 -138.862 -105.064 -138.862 68.3792 GPRESSURE: 3014600 -138.067 -336.216 -53.6749 -140.629 -98.0288 -168.01 -190.485 -134.334 131.861 PRESSAVG: 3014600 -10.3879 -21.7695 -21.7072 -21.7695 6.75629 -64.1274 -21.7071 -64.1274 6.81891 GPRESSAVG: 3014600 -10.4526 -19.8587 -21.8305 -22.2786 6.86216 -63.6092 -23.8012 -65.3441 7.12407 TIMING: 3014600 CPU: 9520.93, 0.00313549/step Wall: 9520.93, 0.00313549/step, 1.72922 hours remaining, 236.660156 MB of memory in use. ENERGY: 3014600 3966.6171 20558.2081 14370.4416 245.8481 -203600.4922 2481.1574 0.0000 0.0000 51893.6291 -110084.5908 298.2334 -161978.2199 -109715.3004 298.1177 -70.5019 -34.7449 760382.3327 1.0624 1.1779 PRESSURE: 3014800 486.609 144.988 -102.12 144.988 82.1067 233.179 -102.121 233.179 264.269 GPRESSURE: 3014800 407.864 174.687 -147.147 25.5601 198.293 310.448 3.79406 178.262 312.351 PRESSAVG: 3014800 23.2444 17.4277 -7.49049 17.4277 -44.9406 -12.3391 -7.49047 -12.3391 11.4377 GPRESSAVG: 3014800 22.0008 16.4205 -6.54555 16.5643 -43.6465 -11.9576 -8.4432 -13.2685 11.1291 TIMING: 3014800 CPU: 9521.56, 0.00313975/step Wall: 9521.56, 0.00313975/step, 1.7314 hours remaining, 236.660156 MB of memory in use. ENERGY: 3014800 3951.1659 20463.3306 14370.0760 239.7672 -204157.2242 2960.7504 0.0000 0.0000 52045.6011 -110126.5330 299.1068 -162172.1341 -109756.8848 297.4964 277.6616 306.1693 758961.7156 -3.4195 -3.5056 PRESSURE: 3015000 95.2744 -203.866 -164.148 -203.865 157.075 -45.9566 -164.148 -45.9567 -242.518 GPRESSURE: 3015000 143.148 -221.719 -95.0021 -233.293 163.59 -51.8017 -125.253 7.84154 -209.589 PRESSAVG: 3015000 42.9373 15.1152 -16.2137 15.1152 -3.84022 3.0212 -16.2137 3.0212 -0.322429 GPRESSAVG: 3015000 44.0654 15.6039 -16.4415 16.8911 -4.80131 1.63705 -16.1272 4.92872 -0.0351896 TIMING: 3015000 CPU: 9522.19, 0.00313265/step Wall: 9522.19, 0.00313265/step, 1.72731 hours remaining, 236.660156 MB of memory in use. ENERGY: 3015000 3945.8326 20588.0250 14452.7560 248.1985 -203324.3686 2390.1225 0.0000 0.0000 51695.3533 -110004.0807 297.0939 -161699.4340 -109638.9165 297.6455 3.2770 32.3829 759896.0031 12.9249 13.0763 PRESSURE: 3015200 -5.00209 -20.933 59.827 -20.9327 161.092 -26.0299 59.8276 -26.03 -54.4394 GPRESSURE: 3015200 57.3972 7.66018 63.5196 -187.004 99.2039 -7.55364 77.6483 -11.9882 52.5648 PRESSAVG: 3015200 -4.16881 6.80436 14.197 6.80442 -18.9538 3.75514 14.197 3.75521 21.1243 GPRESSAVG: 3015200 -3.85365 8.3151 14.416 5.36768 -19.0892 3.46722 14.2251 2.05949 21.2604 TIMING: 3015200 CPU: 9522.81, 0.00314639/step Wall: 9522.81, 0.00314639/step, 1.73471 hours remaining, 236.660156 MB of memory in use. ENERGY: 3015200 3982.0410 20420.1335 14385.7147 246.3373 -203424.4918 2614.4687 0.0000 0.0000 51890.8586 -109884.9381 298.2175 -161775.7967 -109517.5861 297.7465 33.8835 69.7220 761425.1329 -0.6661 -0.5608 PRESSURE: 3015400 -53.4257 -64.0028 -16.0379 -64.002 -522.867 -245.639 -16.0382 -245.64 -64.1536 GPRESSURE: 3015400 -116.438 -78.1195 16.9565 -44.5147 -360.133 -171.134 -17.9025 -333.919 -69.8187 PRESSAVG: 3015400 29.5371 -16.7349 -17.86 -16.7349 11.2035 -21.3978 -17.86 -21.3978 0.117366 GPRESSAVG: 3015400 28.8797 -17.9517 -18.4802 -15.6521 11.9579 -20.6211 -16.242 -20.2658 -0.0272412 TIMING: 3015400 CPU: 9523.44, 0.0031498/step Wall: 9523.44, 0.0031498/step, 1.73641 hours remaining, 236.660156 MB of memory in use. ENERGY: 3015400 3944.3626 20510.1781 14406.0075 248.8571 -203370.4031 2524.4243 0.0000 0.0000 51994.5641 -109742.0094 298.8135 -161736.5735 -109377.8490 298.0214 -213.4823 -182.1297 762476.3377 13.6193 13.6035 PRESSURE: 3015600 114.262 58.2143 -100.296 58.2144 276.764 125.545 -100.297 125.544 110.619 GPRESSURE: 3015600 205.183 28.5432 -160.045 2.6703 297.183 91.7126 -189.997 28.9008 96.145 PRESSAVG: 3015600 -5.46711 37.0158 -13.1059 37.0158 14.7118 1.05036 -13.1058 1.0504 -9.66661 GPRESSAVG: 3015600 -4.66507 36.3653 -15.5489 36.9523 14.0317 0.234531 -12.988 0.597358 -9.86562 TIMING: 3015600 CPU: 9524.07, 0.0031443/step Wall: 9524.07, 0.0031443/step, 1.73321 hours remaining, 236.660156 MB of memory in use. ENERGY: 3015600 3983.2634 20483.7331 14380.7685 254.9750 -203549.0380 2777.2620 0.0000 0.0000 52060.2152 -109608.8209 299.1908 -161669.0361 -109239.7744 298.5108 167.2151 199.5039 760870.1725 -0.1406 -0.1663 PRESSURE: 3015800 79.6228 10.9686 -80.2535 10.968 -23.1237 336.246 -80.2532 336.246 -7.32282 GPRESSURE: 3015800 138.641 86.7239 -17.4749 -84.5065 11.5326 285.852 -205.966 281.441 -19.1025 PRESSAVG: 3015800 -10.3954 1.36042 -22.2115 1.3604 17.7541 -28.2677 -22.2115 -28.2677 23.9015 GPRESSAVG: 3015800 -8.96053 1.428 -20.3492 1.63783 17.0911 -26.1871 -22.3725 -30.3019 23.1582 TIMING: 3015800 CPU: 9524.7, 0.00315052/step Wall: 9524.7, 0.00315052/step, 1.73646 hours remaining, 236.660156 MB of memory in use. ENERGY: 3015800 3989.0364 20566.0164 14418.1504 240.6057 -203589.2009 2598.8984 0.0000 0.0000 52136.4764 -109640.0172 299.6290 -161776.4936 -109281.9202 298.8801 16.3921 43.6904 760396.1701 10.4201 10.4296 PRESSURE: 3016000 -477.286 -0.582996 -58.2621 -0.583037 -204.024 274.025 -58.2623 274.026 -165.778 GPRESSURE: 3016000 -323.96 -19.1407 -2.88152 -37.2412 -247.912 242.502 -114.661 281.778 -191.256 PRESSAVG: 3016000 -17.657 25.9879 11.8067 25.9879 37.6151 -26.7349 11.8067 -26.7349 -0.617129 GPRESSAVG: 3016000 -17.7413 26.9788 12.4044 26.4939 37.1415 -29.0778 11.5761 -24.7609 -0.72768 TIMING: 3016000 CPU: 9525.33, 0.00314593/step Wall: 9525.33, 0.00314593/step, 1.73376 hours remaining, 236.660156 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: 3016000 3937.0396 20552.9932 14462.4995 229.5805 -203598.2662 2465.2425 0.0000 0.0000 52023.1674 -109927.7435 298.9779 -161950.9109 -109573.6916 298.4754 -282.3628 -254.3758 761414.1052 6.4470 6.2242 PRESSURE: 3016200 16.6491 27.9388 50.1716 27.9387 195.916 29.2166 50.1716 29.2156 32.3038 GPRESSURE: 3016200 95.431 -47.3894 74.9378 55.6326 182.759 43.1532 64.6439 2.14767 53.2717 PRESSAVG: 3016200 75.1576 -16.0385 3.98327 -16.0385 -27.8065 44.851 3.98324 44.8509 2.11075 GPRESSAVG: 3016200 74.5203 -18.1538 3.13053 -17.017 -28.1924 45.0767 2.56354 44.6399 3.03244 TIMING: 3016200 CPU: 9525.96, 0.00315762/step Wall: 9525.96, 0.00315762/step, 1.74003 hours remaining, 236.660156 MB of memory in use. ENERGY: 3016200 3965.7667 20436.8406 14435.7509 251.9304 -203567.4964 2761.1297 0.0000 0.0000 51900.5293 -109815.5487 298.2731 -161716.0780 -109455.5826 298.1170 81.6228 110.4874 761069.7827 16.4873 16.4534 LDB: ============= START OF LOAD BALANCING ============== 9538.5 LDB: ============== END OF LOAD BALANCING =============== 9538.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9538.5 LDB: ============= START OF LOAD BALANCING ============== 9538.82 LDB: Largest compute 7076 load 0.033379 is 17.1% of average load 0.195564 LDB: Average compute 0.004376 is 2.2% of average load 0.195564 LDB: TIME 9538.82 LOAD: AVG 0.195564 MAX 0.215057 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.824 MB LDB: TIME 9538.82 LOAD: AVG 0.195564 MAX 0.215057 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: TIME 9538.82 LOAD: AVG 0.195564 MAX 0.215057 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.824 MB LDB: ============== END OF LOAD BALANCING =============== 9538.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9538.83 PRESSURE: 3016400 -65.5931 -115.111 -50.1867 -115.111 -167.602 117.937 -50.1863 117.937 227.416 GPRESSURE: 3016400 -35.5702 -220.532 -54.3732 -154.303 -100.139 129.343 -167.074 171.356 217.319 PRESSAVG: 3016400 60.2533 11.0986 -8.3061 11.0986 -1.46677 22.5622 -8.30611 22.5622 12.1514 GPRESSAVG: 3016400 61.7749 11.0385 -8.09094 12.1864 -1.7034 24.2068 -7.27201 21.6357 11.0734 TIMING: 3016400 CPU: 9526.61, 0.00322599/step Wall: 9526.61, 0.00322599/step, 1.77752 hours remaining, 234.882812 MB of memory in use. ENERGY: 3016400 3958.6006 20511.6270 14444.8911 239.0806 -203435.8122 2759.6244 0.0000 0.0000 51796.3276 -109725.6610 297.6742 -161521.9886 -109371.0117 298.4295 -1.9263 27.2030 762097.3969 23.6460 23.7150 PRESSURE: 3016600 -36.2284 -40.9351 -91.1136 -40.9352 -318.148 -170.552 -91.1144 -170.552 -476.208 GPRESSURE: 3016600 23.6485 -97.5227 -52.6243 19.0388 -349.82 -148.359 -236.66 -132.044 -420.326 PRESSAVG: 3016600 -32.065 -19.2319 -35.2958 -19.2319 13.1183 10.3873 -35.2959 10.3874 -3.23141 GPRESSAVG: 3016600 -33.1595 -18.6517 -36.4669 -17.7795 14.3426 9.56881 -35.1447 11.5567 -3.62165 TIMING: 3016600 CPU: 9527.24, 0.00314394/step Wall: 9527.24, 0.00314394/step, 1.73214 hours remaining, 235.085938 MB of memory in use. ENERGY: 3016600 4001.5369 20411.3173 14455.9503 259.9070 -203626.0481 2679.4735 0.0000 0.0000 52078.0971 -109739.7660 299.2935 -161817.8631 -109369.9567 298.5347 -276.8616 -248.8325 761452.7501 -7.3927 -7.4795 PRESSURE: 3016800 100.511 -157.838 0.147275 -157.838 -375.724 -271.215 0.147099 -271.215 441.054 GPRESSURE: 3016800 99.7898 -213.719 50.2926 -141.51 -266.865 -272.763 -17.0698 -162.121 444.657 PRESSAVG: 3016800 -4.69501 -11.6517 -12.651 -11.6517 33.2719 -43.4741 -12.651 -43.474 -7.05225 GPRESSAVG: 3016800 -2.85129 -10.6696 -12.4711 -13.4108 31.8182 -44.0967 -13.4197 -44.8201 -7.28717 TIMING: 3016800 CPU: 9527.87, 0.00314358/step Wall: 9527.87, 0.00314358/step, 1.73177 hours remaining, 235.085938 MB of memory in use. ENERGY: 3016800 3962.9937 20392.7852 14471.1819 229.1451 -203595.2982 2616.5455 0.0000 0.0000 52189.6839 -109732.9629 299.9348 -161922.6468 -109367.0346 298.7346 55.2803 92.5274 762057.8931 7.1749 7.2266 PRESSURE: 3017000 62.3373 42.09 -135.808 42.0895 -86.3821 -40.1002 -135.809 -40.1003 -118.654 GPRESSURE: 3017000 189.656 23.4716 -86.3886 94.8307 -64.2087 3.36117 -103.274 -35.4593 -184.623 PRESSAVG: 3017000 55.5783 5.39273 -5.56614 5.39272 -50.4996 -40.4145 -5.56605 -40.4145 0.104876 GPRESSAVG: 3017000 55.3041 4.80675 -6.40338 3.78528 -49.9001 -38.8408 -2.2613 -38.9205 -0.179958 TIMING: 3017000 CPU: 9528.49, 0.00313868/step Wall: 9528.49, 0.00313868/step, 1.72889 hours remaining, 235.085938 MB of memory in use. ENERGY: 3017000 3931.5302 20354.5367 14476.6443 247.4009 -203180.8073 2463.6539 0.0000 0.0000 51987.2350 -109719.8064 298.7714 -161707.0413 -109356.0217 298.7149 -47.5662 -19.7255 761208.7486 1.7278 1.7413 PRESSURE: 3017200 299.831 135.328 122.841 135.328 -20.5246 31.2652 122.841 31.2671 -57.4813 GPRESSURE: 3017200 376.92 115.009 136.598 189.721 -29.4005 85.2584 81.7442 62.3104 -46.6593 PRESSAVG: 3017200 36.2789 8.24383 -12.7563 8.24379 25.5873 4.00534 -12.7564 4.00542 -9.02603 GPRESSAVG: 3017200 36.0491 7.47951 -11.1588 9.06745 25.1684 3.19214 -15.4312 4.11696 -8.88182 TIMING: 3017200 CPU: 9529.12, 0.00314424/step Wall: 9529.12, 0.00314424/step, 1.73178 hours remaining, 235.085938 MB of memory in use. ENERGY: 3017200 4027.1245 20411.3271 14464.4308 256.7886 -203603.2912 2809.9194 0.0000 0.0000 51878.2763 -109755.4245 298.1452 -161633.7008 -109399.5094 298.4173 73.9418 100.2869 760373.8412 17.6134 17.4453 PRESSURE: 3017400 -291.218 -140.729 -83.2893 -140.729 -229.033 -144.972 -83.289 -144.972 -350.016 GPRESSURE: 3017400 -248.026 -136.203 -143.753 -141.068 -184.104 -228.169 -30.8645 -177.446 -358.613 PRESSAVG: 3017400 -31.1254 16.2974 12.2483 16.2974 6.30699 37.2004 12.2484 37.2003 3.93342 GPRESSAVG: 3017400 -32.2239 16.3088 12.4984 17.632 6.65697 38.3467 10.8606 37.2317 5.14568 TIMING: 3017400 CPU: 9529.75, 0.00315172/step Wall: 9529.75, 0.00315172/step, 1.73572 hours remaining, 235.085938 MB of memory in use. ENERGY: 3017400 3987.6894 20467.6243 14463.1380 250.4462 -203433.2728 2620.0593 0.0000 0.0000 51881.8668 -109762.4488 298.1658 -161644.3156 -109400.5380 298.5778 -290.0892 -263.5808 761452.4046 -6.9617 -6.8071 PRESSURE: 3017600 171.287 -26.3618 -264.779 -26.362 35.0038 -184.623 -264.779 -184.623 5.76002 GPRESSURE: 3017600 236.09 -75.5741 -240.945 -21.8663 50.9403 -198.764 -152.941 -187.451 2.28918 PRESSAVG: 3017600 -10.7096 -42.9798 -6.23182 -42.9798 10.8342 8.39816 -6.23179 8.3982 -12.5961 GPRESSAVG: 3017600 -10.4885 -43.4996 -7.37959 -42.7343 12.4295 6.73218 -2.85835 7.57044 -14.6755 TIMING: 3017600 CPU: 9530.38, 0.00315122/step Wall: 9530.38, 0.00315122/step, 1.73527 hours remaining, 235.085938 MB of memory in use. ENERGY: 3017600 3930.2527 20422.3509 14505.2906 242.9880 -203671.0354 2896.5957 0.0000 0.0000 51824.6825 -109848.8749 297.8372 -161673.5574 -109495.8353 298.2581 70.6836 96.4398 762876.5132 -4.1572 -4.2448 PRESSURE: 3017800 60.1284 77.8516 137.781 77.8516 -296.034 88.521 137.781 88.5215 -417.403 GPRESSURE: 3017800 95.2032 -24.5746 115.969 89.5908 -193.778 63.6318 130.6 64.5963 -451.846 PRESSAVG: 3017800 -29.8201 8.23981 1.2988 8.23978 38.7477 -1.23117 1.2988 -1.23122 -5.00649 GPRESSAVG: 3017800 -29.8613 9.89083 1.54079 7.4546 38.1554 -0.40397 0.733501 -0.558575 -4.33098 TIMING: 3017800 CPU: 9531.02, 0.00316613/step Wall: 9531.02, 0.00316613/step, 1.74331 hours remaining, 235.085938 MB of memory in use. ENERGY: 3017800 4040.9751 20451.7729 14369.9941 258.3598 -203552.9299 2822.5291 0.0000 0.0000 52001.6983 -109607.6006 298.8545 -161609.2988 -109238.4467 298.2514 -217.7696 -183.4735 761891.6653 1.3070 1.3211 PRESSURE: 3018000 -183.413 211.287 315.705 211.286 199.42 -168.925 315.705 -168.925 216.087 GPRESSURE: 3018000 -145.875 146.45 336.653 157.03 170.493 -153.409 233.902 -126.064 277.047 PRESSAVG: 3018000 -30.198 -39.5778 23.1411 -39.5778 46.4626 -22.1532 23.141 -22.1532 10.4958 GPRESSAVG: 3018000 -30.6211 -43.2772 23.5472 -37.0332 45.6417 -23.1375 21.14 -24.8304 11.5743 TIMING: 3018000 CPU: 9531.64, 0.00313733/step Wall: 9531.64, 0.00313733/step, 1.72728 hours remaining, 235.085938 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: 3018000 3988.8849 20675.6103 14419.0812 237.3353 -203557.7062 2753.3191 0.0000 0.0000 51869.7439 -109613.7314 298.0961 -161483.4754 -109249.4700 299.0257 77.3646 100.5548 761254.4546 8.9201 8.8650 PRESSURE: 3018200 404.054 -62.0297 50.1298 -62.0301 175.63 -140.386 50.1298 -140.386 -54.8407 GPRESSURE: 3018200 432.139 46.5159 -49.1647 -34.6645 276.052 -143.435 22.6224 -124.338 -77.8851 PRESSAVG: 3018200 11.7193 9.58622 -6.66697 9.58624 3.1947 3.58166 -6.66697 3.58169 18.1282 GPRESSAVG: 3018200 12.6988 11.5423 -6.99584 7.64341 2.9616 3.27562 -4.24625 5.08699 17.861 TIMING: 3018200 CPU: 9532.27, 0.00314065/step Wall: 9532.27, 0.00314065/step, 1.72893 hours remaining, 235.085938 MB of memory in use. ENERGY: 3018200 4039.9027 20477.7685 14391.1161 250.0922 -203830.2910 3034.7275 0.0000 0.0000 52103.4098 -109533.2743 299.4390 -161636.6841 -109173.6597 299.1471 174.9479 210.1018 760290.4239 11.0141 11.1738 PRESSURE: 3018400 -54.7207 -17.2215 142.915 -17.2213 -193.311 -140.807 142.916 -140.807 315.672 GPRESSURE: 3018400 -72.6937 -1.98478 141.766 112.405 -56.2372 -51.9341 125.485 -129.61 276.643 PRESSAVG: 3018400 -25.4061 -58.4949 -22.0875 -58.4949 -3.23303 12.9701 -22.0875 12.97 -5.39351 GPRESSAVG: 3018400 -25.758 -56.904 -22.6058 -58.7213 -3.3213 14.4553 -23.8996 13.8854 -4.90812 TIMING: 3018400 CPU: 9532.9, 0.00314253/step Wall: 9532.9, 0.00314253/step, 1.72979 hours remaining, 235.085938 MB of memory in use. ENERGY: 3018400 3973.3748 20469.9752 14466.9061 245.7258 -203704.2122 2873.3800 0.0000 0.0000 52020.8454 -109654.0050 298.9645 -161674.8504 -109291.0203 299.1947 22.5467 49.2374 761493.2547 -11.3442 -11.3291 PRESSURE: 3018600 34.5319 -121.966 -1.66529 -121.966 28.4406 -147.176 -1.6665 -147.176 -4.59636 GPRESSURE: 3018600 133.27 -105.636 87.8788 -281.474 39.1007 -108.013 22.7325 -151.865 -39.986 PRESSAVG: 3018600 -7.12049 -1.31344 -12.5617 -1.31347 50.5703 27.6697 -12.5617 27.6698 -0.0794002 GPRESSAVG: 3018600 -7.6663 -1.84478 -12.028 -2.64677 51.4251 26.5415 -12.1242 26.2971 -0.735732 TIMING: 3018600 CPU: 9533.53, 0.00313763/step Wall: 9533.53, 0.00313763/step, 1.72692 hours remaining, 235.085938 MB of memory in use. ENERGY: 3018600 4106.2990 20480.3158 14472.5545 269.1630 -203528.6393 2694.8312 0.0000 0.0000 51773.7983 -109731.6776 297.5447 -161505.4759 -109377.6180 298.6707 19.4587 44.1283 760315.9062 14.4568 14.3410 PRESSURE: 3018800 124.58 -104.818 363.559 -104.818 309.411 -14.6312 363.559 -14.6306 2.76053 GPRESSURE: 3018800 164.302 -180.358 363.239 -103.566 328.932 9.54382 268.078 -23.5116 21.57 PRESSAVG: 3018800 -51.4204 27.4185 4.97188 27.4185 14.4708 -15.1801 4.97184 -15.18 2.11982 GPRESSAVG: 3018800 -50.0537 26.0655 3.70978 28.4334 13.7009 -15.2651 4.3607 -14.3603 1.17347 TIMING: 3018800 CPU: 9534.16, 0.00314341/step Wall: 9534.16, 0.00314341/step, 1.72992 hours remaining, 235.085938 MB of memory in use. ENERGY: 3018800 4049.3246 20420.4242 14443.2288 258.3099 -203544.8350 2709.0964 0.0000 0.0000 51769.4029 -109895.0481 297.5195 -161664.4510 -109538.1536 298.4449 145.5839 171.6013 761490.1565 -11.6099 -11.7264 PRESSURE: 3019000 -302.895 30.2759 -267.496 30.2752 -375.691 167.965 -267.495 167.965 159.157 GPRESSURE: 3019000 -211.542 136.767 -271.982 -25.8689 -334.313 80.2264 -236.325 153.532 113.479 PRESSAVG: 3019000 17.8378 23.1477 50.8629 23.1477 -39.7923 44.1531 50.8628 44.1531 -3.14755 GPRESSAVG: 3019000 17.4848 23.1656 51.2949 23.2735 -40.3901 43.2354 52.4123 44.4399 -2.96347 TIMING: 3019000 CPU: 9534.78, 0.00313049/step Wall: 9534.78, 0.00313049/step, 1.72264 hours remaining, 235.085938 MB of memory in use. ENERGY: 3019000 3947.5763 20376.3840 14422.3054 249.9514 -204099.5255 2959.9458 0.0000 0.0000 52126.1052 -110017.2574 299.5694 -162143.3626 -109654.7102 298.5900 -173.1431 -144.1255 762856.5991 -8.3673 -8.6229 PRESSURE: 3019200 334.9 -61.913 -4.07034 -61.9139 67.1313 73.1773 -4.06946 73.1774 -114.506 GPRESSURE: 3019200 395.443 -36.2084 12.6064 -143.974 48.7474 135.86 -99.1729 41.3724 -100.251 PRESSAVG: 3019200 19.5389 -5.51929 -2.87854 -5.51935 -5.27012 8.48809 -2.8785 8.48803 -1.46701 GPRESSAVG: 3019200 18.4494 -5.35521 -3.36734 -5.52286 -4.52867 9.19865 -3.77799 7.76938 -1.78896 TIMING: 3019200 CPU: 9535.41, 0.003151/step Wall: 9535.41, 0.003151/step, 1.73375 hours remaining, 235.085938 MB of memory in use. ENERGY: 3019200 3953.8384 20427.2319 14409.0645 267.5934 -203488.0981 2790.8014 0.0000 0.0000 51788.0048 -109851.5637 297.6264 -161639.5685 -109491.9437 297.8757 95.8418 114.6464 761530.4233 4.2672 4.0439 PRESSURE: 3019400 264.216 4.33737 -76.7997 4.3373 199.161 -123.562 -76.7993 -123.562 -188.483 GPRESSURE: 3019400 257.707 -73.3332 -32.6469 25.6531 260.519 -50.0909 -32.594 -137.886 -155.707 PRESSAVG: 3019400 30.737 -29.1988 2.9337 -29.1987 -14.1415 -35.1085 2.93364 -35.1086 -9.55519 GPRESSAVG: 3019400 30.7021 -32.3981 4.83686 -27.7047 -15.1351 -34.5911 1.46279 -35.3814 -8.95282 TIMING: 3019400 CPU: 9536.04, 0.00313974/step Wall: 9536.04, 0.00313974/step, 1.72738 hours remaining, 235.085938 MB of memory in use. ENERGY: 3019400 3973.7344 20598.1209 14513.4563 239.0647 -204026.4315 2947.9880 0.0000 0.0000 52170.4865 -109583.5808 299.8245 -161754.0673 -109222.3188 298.8102 91.6312 120.8398 760231.8902 2.3468 2.2047 PRESSURE: 3019600 207.393 20.8883 -16.1535 20.8883 188.86 44.4422 -16.1548 44.442 -356.115 GPRESSURE: 3019600 221.808 113.033 -91.631 21.1702 180.959 74.8974 -68.224 -91.1292 -277.781 PRESSAVG: 3019600 -19.4496 2.21859 -29.8475 2.21858 8.67278 -7.14805 -29.8475 -7.14808 6.9306 GPRESSAVG: 3019600 -20.6449 6.45369 -31.403 1.08516 9.57977 -6.30172 -28.6613 -8.65513 7.16165 TIMING: 3019600 CPU: 9536.67, 0.00314625/step Wall: 9536.67, 0.00314625/step, 1.73079 hours remaining, 235.085938 MB of memory in use. ENERGY: 3019600 3977.9728 20510.2385 14478.5794 252.3372 -203419.9549 2623.6754 0.0000 0.0000 52222.7718 -109354.3799 300.1250 -161577.1517 -108992.4188 299.4375 13.3789 41.6621 762362.8240 -1.2821 -1.3011 PRESSURE: 3019800 30.145 -175.252 11.3632 -175.251 108.76 -23.8118 11.3638 -23.8109 95.4627 GPRESSURE: 3019800 121.989 -75.2306 62.9558 -148.792 131.984 7.2474 1.18746 92.8451 72.0604 PRESSAVG: 3019800 46.8232 19.2125 -0.434415 19.2125 -54.1454 -56.1269 -0.434316 -56.1269 14.4565 GPRESSAVG: 3019800 46.9237 17.2243 -0.451858 20.1922 -54.3326 -55.8234 -1.34467 -55.3258 14.5296 TIMING: 3019800 CPU: 9537.3, 0.00316627/step Wall: 9537.3, 0.00316627/step, 1.74162 hours remaining, 235.085938 MB of memory in use. ENERGY: 3019800 3979.5148 20539.6096 14440.1626 237.5256 -203286.8899 2544.7906 0.0000 0.0000 52167.5190 -109377.7677 299.8074 -161545.2867 -109017.8666 299.4376 78.1227 108.6778 763011.2732 2.3781 2.3736 PRESSURE: 3020000 -238.587 -15.9056 -284.939 -15.9058 -13.6054 -198.061 -284.939 -198.062 152.837 GPRESSURE: 3020000 -84.8818 -28.1479 -345.652 32.1433 2.16363 -243.334 -270.566 -239.428 89.0158 PRESSAVG: 3020000 -8.57727 -29.5506 45.0662 -29.5506 9.49199 -15.9628 45.0662 -15.9629 0.773529 GPRESSAVG: 3020000 -7.48336 -27.5118 45.64 -31.6857 9.51522 -17.769 47.2785 -13.8386 -0.282858 TIMING: 3020000 CPU: 9537.94, 0.00315858/step Wall: 9537.94, 0.00315858/step, 1.73722 hours remaining, 235.085938 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: 3020000 3957.2491 20554.6682 14438.8789 267.7145 -203118.6190 2525.9357 0.0000 0.0000 52033.2894 -109340.8832 299.0360 -161374.1725 -108989.3667 299.8364 -33.1185 2.0992 763501.4671 0.5628 0.5830 PRESSURE: 3020200 298.15 17.7019 49.0532 17.7033 84.3108 35.9222 49.0542 35.9237 -13.2174 GPRESSURE: 3020200 308.957 84.1621 85.8962 -12.6238 115.197 77.8568 -11.7377 -79.0354 27.1524 PRESSAVG: 3020200 42.4286 16.6504 -57.5737 16.6503 -37.7145 -117.611 -57.5736 -117.611 -14.2822 GPRESSAVG: 3020200 41.1989 17.0578 -57.9858 17.3425 -38.0074 -116.259 -58.4158 -118.188 -12.6988 TIMING: 3020200 CPU: 9538.57, 0.00316099/step Wall: 9538.57, 0.00316099/step, 1.73837 hours remaining, 235.085938 MB of memory in use. ENERGY: 3020200 3952.7187 20503.1270 14483.0327 247.7286 -203057.8243 2391.1161 0.0000 0.0000 51971.0415 -109509.0597 298.6783 -161480.1011 -109147.7041 299.3476 123.0812 150.4354 764304.3225 -3.1894 -3.1691 LDB: ============= START OF LOAD BALANCING ============== 9551.1 LDB: ============== END OF LOAD BALANCING =============== 9551.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9551.1 LDB: ============= START OF LOAD BALANCING ============== 9551.42 LDB: Largest compute 7057 load 0.031982 is 16.4% of average load 0.195592 LDB: Average compute 0.004391 is 2.2% of average load 0.195592 LDB: TIME 9551.42 LOAD: AVG 0.195592 MAX 0.216272 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.934 MB LDB: TIME 9551.42 LOAD: AVG 0.195592 MAX 0.216272 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.137 MB LDB: TIME 9551.42 LOAD: AVG 0.195592 MAX 0.216272 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.137 MB LDB: ============== END OF LOAD BALANCING =============== 9551.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9551.43 PRESSURE: 3020400 481.804 -193.997 -90.0237 -193.997 245.248 57.0372 -90.0239 57.0366 151.869 GPRESSURE: 3020400 445.646 -205.124 -91.487 -194.052 304.819 26.4019 -103.284 -11.6843 219.102 PRESSAVG: 3020400 70.0543 -21.1969 6.76386 -21.1969 -78.1598 -52.904 6.76386 -52.9039 12.7371 GPRESSAVG: 3020400 71.0742 -22.4743 6.87655 -19.4266 -78.3371 -54.359 8.51936 -52.3113 12.246 TIMING: 3020400 CPU: 9539.21, 0.00322198/step Wall: 9539.21, 0.00322198/step, 1.77173 hours remaining, 235.960938 MB of memory in use. ENERGY: 3020400 3952.9889 20310.7396 14450.6083 244.7380 -203383.6377 2836.0472 0.0000 0.0000 52190.7541 -109397.7616 299.9410 -161588.5157 -109028.1024 299.1848 292.9736 323.1891 762702.2733 1.5439 1.6610 PRESSURE: 3020600 112.424 -75.3541 239.399 -75.3536 -45.8327 59.1783 239.398 59.1791 -25.7568 GPRESSURE: 3020600 88.2492 21.4564 337.985 -0.697793 -16.124 -2.15164 140.628 28.4367 39.4499 PRESSAVG: 3020600 20.7177 -29.6533 10.2978 -29.6532 -84.0979 -19.7652 10.2978 -19.7653 23.7116 GPRESSAVG: 3020600 20.0447 -27.5506 10.4931 -32.2877 -83.322 -19.4724 10.3008 -20.6292 23.8435 TIMING: 3020600 CPU: 9539.84, 0.00316205/step Wall: 9539.84, 0.00316205/step, 1.7386 hours remaining, 236.421875 MB of memory in use. ENERGY: 3020600 3965.9320 20577.1633 14384.3862 232.4212 -203100.3420 2364.8171 0.0000 0.0000 52130.4599 -109445.1623 299.5945 -161575.6223 -109086.7265 299.2176 13.6115 37.1917 763349.2110 -13.2228 -13.1446 PRESSURE: 3020800 -104.967 100.89 -206.811 100.89 -510.244 -53.229 -206.81 -53.2278 146.072 GPRESSURE: 3020800 -144.456 131.939 -208.813 82.177 -418.277 -78.0599 -103.958 2.82924 189.913 PRESSAVG: 3020800 1.00538 -1.60229 -46.5976 -1.60233 -13.945 19.484 -46.5975 19.484 10.896 GPRESSAVG: 3020800 0.413948 -3.13566 -45.6328 0.221421 -13.5944 21.6099 -49.1648 19.3204 10.7209 TIMING: 3020800 CPU: 9540.47, 0.0031468/step Wall: 9540.47, 0.0031468/step, 1.73004 hours remaining, 236.421875 MB of memory in use. ENERGY: 3020800 3911.0665 20567.6781 14359.0675 257.7227 -203295.3637 2636.9803 0.0000 0.0000 52219.9912 -109342.8573 300.1090 -161562.8485 -108986.6551 298.8924 -156.3798 -124.2733 763252.2595 -0.6812 -0.8198 PRESSURE: 3021000 207.399 263.806 -234.532 263.807 -54.4661 45.4191 -234.532 45.4191 210.185 GPRESSURE: 3021000 185.232 66.0093 -270.054 155.524 3.21774 10.7533 -236.916 41.3407 266.612 PRESSAVG: 3021000 47.7091 5.76514 13.0634 5.76522 -27.4211 22.1017 13.0634 22.1018 13.4 GPRESSAVG: 3021000 48.8964 4.54813 13.5466 4.64512 -27.7838 21.1373 14.1619 21.1894 13.0059 TIMING: 3021000 CPU: 9541.1, 0.00314534/step Wall: 9541.1, 0.00314534/step, 1.72906 hours remaining, 236.421875 MB of memory in use. ENERGY: 3021000 4019.6451 20417.9087 14448.2567 231.0403 -202826.0876 2472.3509 0.0000 0.0000 51918.4869 -109318.3989 298.3763 -161236.8858 -108946.2545 298.9489 121.0393 151.6869 761958.9722 11.2293 11.3728 PRESSURE: 3021200 71.7357 42.6838 -51.0168 42.6841 143.488 15.9154 -51.0163 15.916 -52.6993 GPRESSURE: 3021200 129.615 67.8808 -133.732 108.796 187.743 12.8678 -5.08623 225.124 -56.5864 PRESSAVG: 3021200 -36.9167 -23.5472 -11.3185 -23.5472 36.6587 -24.2078 -11.3185 -24.2078 -13.2602 GPRESSAVG: 3021200 -36.9735 -21.5662 -13.0617 -23.3677 36.7681 -23.4549 -10.6339 -23.866 -13.2576 TIMING: 3021200 CPU: 9541.73, 0.00313149/step Wall: 9541.73, 0.00313149/step, 1.72128 hours remaining, 236.421875 MB of memory in use. ENERGY: 3021200 4027.8133 20448.0367 14497.4648 228.1578 -203225.0505 2697.1762 0.0000 0.0000 51956.1974 -109370.2043 298.5930 -161326.4017 -109001.3523 299.0950 54.1747 86.9240 762721.4928 -4.5061 -4.4877 PRESSURE: 3021400 251.193 -25.8775 -186.307 -25.8774 145.409 207.328 -186.308 207.328 -26.7126 GPRESSURE: 3021400 364.949 -102.471 -314.238 143.831 82.7646 175.152 -218.362 297.468 10.6281 PRESSAVG: 3021400 2.52391 -44.5469 10.7015 -44.5469 46.1074 -0.0570322 10.7015 -0.0570407 -18.8174 GPRESSAVG: 3021400 0.069313 -44.3029 11.5806 -45.2453 47.2377 -1.10356 8.89472 0.581755 -17.8855 TIMING: 3021400 CPU: 9542.36, 0.00313198/step Wall: 9542.36, 0.00313198/step, 1.72137 hours remaining, 236.421875 MB of memory in use. ENERGY: 3021400 3958.3612 20375.7470 14381.4790 207.9309 -203305.7937 2707.6136 0.0000 0.0000 52261.9491 -109412.7130 300.3501 -161674.6621 -109051.5364 298.8429 123.2963 152.7805 760933.9454 9.9380 9.8072 PRESSURE: 3021600 176.223 80.0566 -81.4082 80.0569 54.9503 33.3989 -81.4082 33.398 -11.8243 GPRESSURE: 3021600 191.674 31.043 -85.5679 197.405 141.487 116.896 -15.5283 -93.8356 -38.6557 PRESSAVG: 3021600 -24.0144 21.8398 8.75287 21.8397 24.5467 -47.8785 8.75284 -47.8785 -15.7906 GPRESSAVG: 3021600 -22.3295 20.3016 9.02214 23.7783 22.7213 -46.3562 8.69001 -50.5314 -15.8662 TIMING: 3021600 CPU: 9542.99, 0.00315504/step Wall: 9542.99, 0.00315504/step, 1.73387 hours remaining, 236.421875 MB of memory in use. ENERGY: 3021600 3950.0218 20443.6523 14444.1089 245.7337 -203123.7847 2605.5783 0.0000 0.0000 51903.9248 -109530.7648 298.2926 -161434.6897 -109163.4271 298.7750 73.1163 98.1687 761156.9150 -5.0861 -5.1582 PRESSURE: 3021800 287.849 246.53 45.5799 246.53 -131.445 85.171 45.5789 85.1704 223.003 GPRESSURE: 3021800 218.693 152.997 63.0656 199.588 -53.0125 208.293 -46.5857 95.323 317.118 PRESSAVG: 3021800 11.0199 -6.7329 9.11074 -6.73298 7.0394 -6.63788 9.11073 -6.63779 -3.22753 GPRESSAVG: 3021800 11.2475 -6.75385 7.39529 -8.82974 7.7446 -5.7005 10.0418 -5.71903 -3.8715 TIMING: 3021800 CPU: 9543.62, 0.00314699/step Wall: 9543.62, 0.00314699/step, 1.72927 hours remaining, 236.421875 MB of memory in use. ENERGY: 3021800 3992.3722 20544.9897 14364.4715 235.1917 -202957.2804 2447.4602 0.0000 0.0000 52082.5189 -109290.2762 299.3190 -161372.7951 -108925.7142 299.1813 126.4693 160.9328 762023.5244 4.9439 5.0402 PRESSURE: 3022000 -89.0977 -141.807 -98.4602 -141.806 61.4042 71.187 -98.4598 71.1872 44.9189 GPRESSURE: 3022000 -165.559 -120.788 -162.265 -168.401 228.86 86.6098 -56.0166 83.8148 50.3214 PRESSAVG: 3022000 12.5012 -3.53627 -11.9388 -3.53625 -29.0453 15.0565 -11.9388 15.0566 -26.29 GPRESSAVG: 3022000 12.2886 -2.53069 -10.312 -4.017 -29.6698 13.6981 -10.9885 15.665 -25.2281 TIMING: 3022000 CPU: 9544.24, 0.00313231/step Wall: 9544.24, 0.00313231/step, 1.72103 hours remaining, 236.421875 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: 3022000 3956.9014 20546.3689 14425.1763 251.0219 -203300.6372 2549.4717 0.0000 0.0000 51996.4383 -109575.2587 298.8242 -161571.6970 -109203.4605 298.8288 5.7418 37.8741 760684.4249 -14.2781 -14.2031 PRESSURE: 3022200 -200.552 -102.529 198.214 -102.529 -299.056 -142.46 198.216 -142.459 -409.306 GPRESSURE: 3022200 -116.044 -35.6793 201.873 -67.0881 -326.08 -77.8693 -23.5991 -223.505 -391.049 PRESSAVG: 3022200 36.5483 -44.2598 -39.8517 -44.2597 -1.40589 -21.7808 -39.8518 -21.7807 4.66391 GPRESSAVG: 3022200 36.7781 -45.2103 -39.2616 -41.9755 -1.45174 -21.4332 -40.9286 -20.9877 3.91895 TIMING: 3022200 CPU: 9544.87, 0.00314148/step Wall: 9544.87, 0.00314148/step, 1.7259 hours remaining, 236.421875 MB of memory in use. ENERGY: 3022200 4031.7501 20525.9838 14376.0081 247.0310 -203122.7635 2413.7624 0.0000 0.0000 51897.8090 -109630.4192 298.2574 -161528.2282 -109268.1661 298.7391 -302.9713 -277.7243 759574.4015 13.2688 13.0818 PRESSURE: 3022400 5.04829 -107.074 -59.0614 -107.074 131.017 120.413 -59.0611 120.413 -421.635 GPRESSURE: 3022400 -59.2829 28.3621 41.2386 -322.181 182.859 152.106 -0.875463 58.8242 -313.711 PRESSAVG: 3022400 26.073 -21.7273 5.78518 -21.7272 -49.945 10.613 5.78519 10.613 -9.16634 GPRESSAVG: 3022400 25.8222 -20.5681 4.93344 -22.4514 -50.6105 10.4562 4.6412 8.45709 -7.70256 TIMING: 3022400 CPU: 9545.5, 0.00315222/step Wall: 9545.5, 0.00315222/step, 1.73162 hours remaining, 236.421875 MB of memory in use. ENERGY: 3022400 4039.0323 20393.0420 14414.3952 247.7703 -203080.4215 2419.4647 0.0000 0.0000 51872.6924 -109694.0246 298.1131 -161566.7170 -109335.3085 298.5214 -95.1899 -63.3786 760822.4673 -11.0128 -10.8303 PRESSURE: 3022600 163.611 29.9395 14.2488 29.9401 -352.606 56.7304 14.2488 56.7284 28.309 GPRESSURE: 3022600 114.451 -49.0151 2.99396 -64.3119 -268.222 33.4722 -9.16482 -15.3643 89.1279 PRESSAVG: 3022600 5.07412 3.38338 27.9795 3.38337 -0.551055 27.4347 27.9795 27.4348 -27.0558 GPRESSAVG: 3022600 4.39438 2.78298 26.4427 4.79639 0.930053 28.1622 29.0567 28.2177 -28.912 TIMING: 3022600 CPU: 9546.13, 0.00313317/step Wall: 9546.13, 0.00313317/step, 1.72098 hours remaining, 236.421875 MB of memory in use. ENERGY: 3022600 3977.7290 20351.5948 14326.7047 227.9981 -202900.5517 2173.8670 0.0000 0.0000 52017.2496 -109825.4085 298.9438 -161842.6581 -109459.8086 298.1444 -53.5620 -21.5478 761326.7385 -7.5109 -7.8625 PRESSURE: 3022800 75.3847 89.6503 11.8101 89.6506 220.084 -61.6366 11.8103 -61.6365 -211.474 GPRESSURE: 3022800 74.0739 43.0337 18.9573 81.2798 227.713 -3.20537 18.3754 66.9244 -134.63 PRESSAVG: 3022800 22.2785 -29.4397 -4.43987 -29.4396 14.696 -12.3759 -4.43982 -12.376 6.9007 GPRESSAVG: 3022800 22.193 -31.1356 -4.66167 -30.4424 14.1368 -13.3617 -2.60537 -12.1593 7.49221 TIMING: 3022800 CPU: 9546.75, 0.00311797/step Wall: 9546.75, 0.00311797/step, 1.71246 hours remaining, 236.421875 MB of memory in use. ENERGY: 3022800 3999.5000 20300.2854 14422.8478 231.3396 -203400.4371 2572.3729 0.0000 0.0000 52015.1362 -109858.9552 298.9317 -161874.0914 -109504.8947 298.5411 27.9981 55.7188 760381.6412 14.6251 14.6073 PRESSURE: 3023000 -240.66 54.6976 -118.569 54.6982 -636.817 -92.5154 -118.569 -92.5151 -147.733 GPRESSURE: 3023000 -261.998 -26.5663 -25.2063 -7.2111 -495.758 -49.0544 -105.51 103.785 -163.839 PRESSAVG: 3023000 -10.0683 -43.2109 61.235 -43.2108 7.91829 44.1761 61.2349 44.1762 -6.42754 GPRESSAVG: 3023000 -10.9068 -41.4872 61.8411 -43.1168 8.26934 46.4763 60.5316 44.2174 -6.21621 TIMING: 3023000 CPU: 9547.38, 0.00313811/step Wall: 9547.38, 0.00313811/step, 1.72335 hours remaining, 236.421875 MB of memory in use. ENERGY: 3023000 3961.1048 20412.3447 14363.4788 235.6204 -203132.7055 2397.1533 0.0000 0.0000 51825.4755 -109937.5280 297.8417 -161763.0035 -109577.4895 298.1326 -341.7367 -307.1981 761123.5961 -2.8592 -2.9512 PRESSURE: 3023200 117.575 -123.71 -18.1857 -123.71 180.74 -87.1805 -18.1861 -87.1808 439.412 GPRESSURE: 3023200 194.048 -73.5129 -89.3502 -63.7897 198.928 -10.7813 -43.6812 -175.624 422.707 PRESSAVG: 3023200 65.6978 -8.10079 36.5452 -8.10079 -49.1715 39.7122 36.5452 39.7122 9.00537 GPRESSAVG: 3023200 66.7641 -9.17203 36.9099 -6.38765 -48.4049 38.631 36.0924 39.0343 7.42343 TIMING: 3023200 CPU: 9548.01, 0.00314086/step Wall: 9548.01, 0.00314086/step, 1.72468 hours remaining, 236.421875 MB of memory in use. ENERGY: 3023200 3891.5402 20490.6584 14321.4950 269.6745 -203128.1873 2475.7227 0.0000 0.0000 51950.2501 -109728.8464 298.5588 -161679.0965 -109363.6325 298.4602 245.9090 271.8943 760697.5256 8.5106 8.5942 PRESSURE: 3023400 -169.152 -29.3609 15.8918 -29.3608 61.2042 -111.813 15.8909 -111.813 81.3146 GPRESSURE: 3023400 -96.1619 -72.03 47.6778 -78.5791 31.9096 -169.245 6.20281 -26.0835 121.313 PRESSAVG: 3023400 14.4097 42.9505 28.191 42.9505 9.53922 -34.0861 28.191 -34.0862 -10.0293 GPRESSAVG: 3023400 14.978 42.7822 29.1889 39.8124 7.68888 -35.1676 27.9576 -33.8006 -8.79531 TIMING: 3023400 CPU: 9548.64, 0.00316457/step Wall: 9548.64, 0.00316457/step, 1.73752 hours remaining, 236.421875 MB of memory in use. ENERGY: 3023400 3999.6567 20654.7278 14458.7540 243.8217 -203353.7908 2447.5952 0.0000 0.0000 51896.0791 -109653.1564 298.2475 -161549.2355 -109297.2750 299.1090 -8.8778 19.0203 759094.2348 4.6399 4.6238 PRESSURE: 3023600 224.714 -297.609 -21.6422 -297.609 -186.824 -108.174 -21.6417 -108.173 -78.9488 GPRESSURE: 3023600 172.759 -226 -59.9851 -241.89 -97.9692 -82.5209 127.843 -87.593 -52.0373 PRESSAVG: 3023600 -0.901419 22.0739 -18.9222 22.0739 19.6249 -37.1898 -18.9223 -37.1897 -5.46269 GPRESSAVG: 3023600 -2.0984 22.3356 -19.5472 21.943 19.8207 -36.628 -18.3918 -37.6104 -4.78302 TIMING: 3023600 CPU: 9549.27, 0.00315042/step Wall: 9549.27, 0.00315042/step, 1.72958 hours remaining, 236.421875 MB of memory in use. ENERGY: 3023600 4058.8440 20541.7089 14417.7932 256.7002 -203308.0656 2518.9398 0.0000 0.0000 51917.7454 -109596.3341 298.3720 -161514.0795 -109237.8315 299.2760 -13.6863 7.5841 761146.8742 4.4203 4.3131 PRESSURE: 3023800 5.59554 -314.369 158.539 -314.369 46.5961 128.123 158.539 128.123 216.607 GPRESSURE: 3023800 104.797 -293.337 137.13 -255.735 32.6188 73.1104 16.1807 105.893 204.946 PRESSAVG: 3023800 -38.235 -27.5652 -9.23081 -27.5652 4.39218 -23.2256 -9.23073 -23.2257 11.8034 GPRESSAVG: 3023800 -36.0401 -27.5889 -8.29216 -25.9086 4.50625 -23.7982 -7.10052 -23.0581 9.92634 TIMING: 3023800 CPU: 9549.9, 0.00314995/step Wall: 9549.9, 0.00314995/step, 1.72915 hours remaining, 236.421875 MB of memory in use. ENERGY: 3023800 3954.8480 20570.4092 14321.3101 229.0903 -203042.5280 2501.8143 0.0000 0.0000 51874.7754 -109590.2806 298.1250 -161465.0559 -109227.5685 298.7774 89.5995 114.1206 762522.4241 -7.3465 -7.2025 PRESSURE: 3024000 -253.377 19.1016 -5.05823 19.1024 115.489 -54.1215 -5.05948 -54.1214 115.054 GPRESSURE: 3024000 -153.852 48.902 57.2114 -9.63869 123.519 -51.4938 23.9863 -10.3928 75.9324 PRESSAVG: 3024000 -33.7447 -49.4373 -6.56811 -49.4372 14.6034 -44.0781 -6.56814 -44.0781 19.7052 GPRESSAVG: 3024000 -34.2919 -47.5837 -5.75234 -50.9863 14.9487 -42.1922 -8.89509 -44.4963 19.75 TIMING: 3024000 CPU: 9550.53, 0.00313587/step Wall: 9550.53, 0.00313587/step, 1.72124 hours remaining, 236.421875 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: 3024000 3989.0286 20439.9663 14310.3870 260.2839 -203360.5204 2524.9269 0.0000 0.0000 52343.8369 -109492.0907 300.8208 -161835.9276 -109133.0678 299.4400 -7.6114 15.2000 761554.3910 0.1879 0.1356 PRESSURE: 3024200 85.8537 83.9136 -6.19957 83.914 399.08 -13.6705 -6.19884 -13.6698 241.178 GPRESSURE: 3024200 194.021 -28.8119 -13.8646 103.895 322.951 -133.009 96.0719 5.89452 282.177 PRESSAVG: 3024200 -31.8781 -11.9418 -1.46545 -11.9417 33.6001 -19.1332 -1.4655 -19.1332 -35.8399 GPRESSAVG: 3024200 -32.8066 -14.4441 -2.30709 -9.32538 32.8251 -21.2903 -2.4007 -16.8342 -34.0558 TIMING: 3024200 CPU: 9551.16, 0.00314942/step Wall: 9551.16, 0.00314942/step, 1.72851 hours remaining, 236.421875 MB of memory in use. ENERGY: 3024200 4002.2023 20695.8985 14433.6882 256.5650 -203812.4949 2926.1844 0.0000 0.0000 51840.2352 -109657.7213 297.9265 -161497.9565 -109308.0698 298.9508 242.0371 266.3832 759909.0775 -11.3727 -11.3458 LDB: ============= START OF LOAD BALANCING ============== 9563.69 LDB: ============== END OF LOAD BALANCING =============== 9563.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9563.69 LDB: ============= START OF LOAD BALANCING ============== 9564.01 LDB: Largest compute 7057 load 0.030714 is 15.7% of average load 0.195553 LDB: Average compute 0.004379 is 2.2% of average load 0.195553 LDB: TIME 9564.01 LOAD: AVG 0.195553 MAX 0.215648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 9564.01 LOAD: AVG 0.195553 MAX 0.215648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 9564.01 LOAD: AVG 0.195553 MAX 0.215648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 9564.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9564.02 PRESSURE: 3024400 392.1 -17.5594 147.241 -17.5588 260.832 -296.327 147.241 -296.327 -60.308 GPRESSURE: 3024400 470.148 -21.6704 87.5134 25.6445 266.925 -334.104 124.393 -128.115 -54.5425 PRESSAVG: 3024400 -15.2107 -15.4557 54.1292 -15.4557 -27.2862 -29.0048 54.1292 -29.0047 -3.69885 GPRESSAVG: 3024400 -15.3039 -13.832 53.6106 -18.813 -26.9242 -29.0676 53.0926 -28.599 -3.79538 TIMING: 3024400 CPU: 9551.8, 0.00322483/step Wall: 9551.8, 0.00322483/step, 1.76972 hours remaining, 235.585938 MB of memory in use. ENERGY: 3024400 3979.1499 20633.6770 14337.0794 254.5022 -203411.3647 2527.2444 0.0000 0.0000 51888.7103 -109791.0015 298.2051 -161679.7119 -109419.6823 298.4490 197.5413 227.5101 759180.8238 -15.3986 -15.3411 PRESSURE: 3024600 -332.38 125.718 -117.516 125.718 -205.704 63.7135 -117.516 63.7135 -73.606 GPRESSURE: 3024600 -220.136 174.302 -38.9688 269.337 -181.728 68.2991 59.0233 135.49 -111.454 PRESSAVG: 3024600 -55.637 -18.7789 14.3287 -18.7789 89.5884 -77.7731 14.3287 -77.7731 10.052 GPRESSAVG: 3024600 -55.9636 -17.5133 15.4012 -17.8692 89.7074 -78.5008 17.0232 -79.1919 10.0641 TIMING: 3024600 CPU: 9552.43, 0.00314463/step Wall: 9552.43, 0.00314464/step, 1.72553 hours remaining, 235.585938 MB of memory in use. ENERGY: 3024600 3948.7382 20545.2259 14359.5437 225.3761 -203079.8963 2322.3416 0.0000 0.0000 52035.6636 -109643.0071 299.0497 -161678.6707 -109271.1382 298.7033 -203.8966 -171.1060 762184.2682 14.6678 14.6026 PRESSURE: 3024800 -289.185 -27.8018 -2.16149 -27.8027 -70.5095 164.745 -2.16071 164.746 -101.797 GPRESSURE: 3024800 -223.971 -30.5495 -13.3612 -38.305 -73.5586 134.418 4.15142 40.8431 -71.3152 PRESSAVG: 3024800 -29.0993 -6.05548 30.2599 -6.05545 40.5344 20.5789 30.2599 20.5789 2.51227 GPRESSAVG: 3024800 -29.4034 -5.58994 31.804 -4.85532 41.0187 20.8495 29.7862 20.9766 2.6299 TIMING: 3024800 CPU: 9553.06, 0.00315453/step Wall: 9553.06, 0.00315453/step, 1.73079 hours remaining, 235.585938 MB of memory in use. ENERGY: 3024800 4073.0238 20786.1941 14400.3364 238.8418 -203480.6722 2371.4427 0.0000 0.0000 51946.9687 -109663.8648 298.5399 -161610.8335 -109302.8401 299.3621 -153.8307 -122.9481 761724.8237 4.6491 4.7484 PRESSURE: 3025000 -95.013 76.1843 119.449 76.1841 284.036 56.7967 119.448 56.7961 33.3343 GPRESSURE: 3025000 -9.52059 196.679 166.58 72.7885 227.16 14.9406 26.1151 23.8556 102.306 PRESSAVG: 3025000 -0.942353 -27.4867 38.6759 -27.4868 27.0768 -15.4941 38.6759 -15.4942 -26.4328 GPRESSAVG: 3025000 0.0333 -28.2238 37.2591 -29.1809 26.9946 -13.6577 38.8334 -19.0757 -26.7119 TIMING: 3025000 CPU: 9553.69, 0.00314615/step Wall: 9553.69, 0.00314615/step, 1.72601 hours remaining, 235.585938 MB of memory in use. ENERGY: 3025000 3935.6017 20633.0873 14420.8307 247.8214 -203443.9814 2593.0193 0.0000 0.0000 52154.5092 -109459.1118 299.7327 -161613.6209 -109100.1931 299.3342 74.1192 106.6484 760978.5702 -0.0995 0.1053 PRESSURE: 3025200 92.8813 -1.35365 195.745 -1.35423 -235.868 52.4179 195.745 52.4188 221.052 GPRESSURE: 3025200 129.765 31.161 134.622 61.3183 -197.93 -50.0309 177.271 141.772 227.135 PRESSAVG: 3025200 -15.1321 18.0975 35.8261 18.0975 33.0584 7.50564 35.8261 7.50554 4.13788 GPRESSAVG: 3025200 -14.6374 17.8133 34.3029 19.9587 33.3604 6.86406 36.4715 7.60675 3.73092 TIMING: 3025200 CPU: 9554.32, 0.00315257/step Wall: 9554.32, 0.00315257/step, 1.72936 hours remaining, 235.585938 MB of memory in use. ENERGY: 3025200 3997.9228 20560.4002 14397.2454 252.0546 -203373.3176 2732.8132 0.0000 0.0000 52166.8254 -109266.0560 299.8035 -161432.8814 -108900.0649 299.6853 26.0218 52.9900 762287.1532 7.3547 7.4846 PRESSURE: 3025400 -7.70432 100.821 -81.0846 100.82 -97.6993 -63.7754 -81.0839 -63.7758 64.4869 GPRESSURE: 3025400 -35.0439 91.5007 -35.4736 80.5452 4.68441 -18.4978 -93.8944 -55.167 58.4638 PRESSAVG: 3025400 18.1464 -33.336 26.8627 -33.336 -16.848 -3.01221 26.8626 -3.01225 5.11522 GPRESSAVG: 3025400 17.707 -32.1278 26.3933 -33.6238 -16.5546 -3.68428 26.6259 0.905572 5.27965 TIMING: 3025400 CPU: 9554.95, 0.00314104/step Wall: 9554.95, 0.00314104/step, 1.72286 hours remaining, 235.585938 MB of memory in use. ENERGY: 3025400 4070.3445 20691.2306 14334.2759 255.0337 -203269.7820 2558.5851 0.0000 0.0000 52083.5545 -109276.7578 299.3249 -161360.3123 -108899.1506 299.5046 -13.6389 9.3681 762445.3308 2.1379 2.1440 PRESSURE: 3025600 98.0409 -175.251 -164.175 -175.252 -5.28871 127.606 -164.174 127.606 437.48 GPRESSURE: 3025600 134.67 -140.336 -100.005 -151.402 -4.99629 99.2332 -154.785 128.347 484.353 PRESSAVG: 3025600 -58.7373 20.2544 35.8869 20.2544 27.9535 26.8538 35.8869 26.8538 -19.9701 GPRESSAVG: 3025600 -58.6568 19.6164 34.7503 19.6181 27.4646 26.6834 36.7162 24.7337 -19.3957 TIMING: 3025600 CPU: 9555.58, 0.00314496/step Wall: 9555.58, 0.00314496/step, 1.72484 hours remaining, 235.585938 MB of memory in use. ENERGY: 3025600 3989.8304 20687.3522 14402.0069 247.7502 -203517.2522 2731.9363 0.0000 0.0000 52214.1020 -109244.2741 300.0752 -161458.3762 -108892.9779 300.3715 176.7440 204.6756 762067.0296 -16.9180 -16.8626 PRESSURE: 3025800 229.384 196.113 230.804 196.114 52.4998 -78.1727 230.804 -78.173 -84.7667 GPRESSURE: 3025800 263.949 148.397 217.825 110.176 28.7884 -48.8568 191.321 -56.0036 -35.4112 PRESSAVG: 3025800 6.81977 24.931 -45.5677 24.931 22.6076 -1.47656 -45.5678 -1.47654 8.6826 GPRESSAVG: 3025800 7.20334 22.3053 -41.5145 26.3834 22.1808 -1.06083 -47.4529 -2.81328 8.16252 TIMING: 3025800 CPU: 9556.21, 0.00315259/step Wall: 9556.21, 0.00315259/step, 1.72884 hours remaining, 235.585938 MB of memory in use. ENERGY: 3025800 3982.1327 20714.7921 14451.7961 243.2992 -203634.5219 2611.2613 0.0000 0.0000 52378.1446 -109253.0959 301.0179 -161631.2404 -108894.0789 299.8018 65.7056 85.7753 760945.8220 12.7033 12.5156 PRESSURE: 3026000 -53.6634 54.5707 42.5862 54.5706 -401.894 79.0429 42.5865 79.043 247.899 GPRESSURE: 3026000 23.7453 7.78709 13.9517 40.6237 -298.57 61.7645 165.412 -4.96169 159.551 PRESSAVG: 3026000 1.23657 -19.0557 3.60563 -19.0558 33.4566 -49.8611 3.60568 -49.8611 17.7834 GPRESSAVG: 3026000 1.12312 -16.8994 1.84996 -19.8612 33.4465 -49.7572 1.64429 -47.4174 18.2186 TIMING: 3026000 CPU: 9556.84, 0.00313035/step Wall: 9556.84, 0.00313035/step, 1.71647 hours remaining, 235.585938 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: 3026000 3932.3766 20742.6885 14380.5988 233.7432 -203326.3856 2735.3021 0.0000 0.0000 52355.9770 -108945.6993 300.8905 -161301.6763 -108579.7901 300.3613 -69.2194 -38.4245 762410.4638 17.4922 17.5961 PRESSURE: 3026200 -63.6837 33.8629 -26.6169 33.8635 424.106 50.3456 -26.6171 50.3462 301.311 GPRESSURE: 3026200 -18.1852 16.6814 -33.7227 -125.567 435.354 3.97273 1.36997 -64.9813 329.835 PRESSAVG: 3026200 -43.5887 -0.609196 10.336 -0.609167 -1.06503 13.8328 10.3359 13.8328 -13.199 GPRESSAVG: 3026200 -43.4437 -0.0866753 9.75428 -2.26416 -1.13358 13.0058 14.2997 11.9276 -13.4999 TIMING: 3026200 CPU: 9557.46, 0.00312806/step Wall: 9557.46, 0.00312806/step, 1.71505 hours remaining, 235.585938 MB of memory in use. ENERGY: 3026200 4038.9233 20505.6434 14484.5567 233.2395 -203746.4339 2866.6122 0.0000 0.0000 52583.8358 -109033.6231 302.2000 -161617.4589 -108661.9161 300.9619 220.5778 249.0014 760696.4908 -19.2842 -19.3591 PRESSURE: 3026400 -175.777 -341.406 96.5129 -341.406 58.3453 69.066 96.5122 69.0662 -153.618 GPRESSURE: 3026400 -163.582 -220.186 44.552 -205.358 34.9744 130.986 60.3242 130.474 -74.8918 PRESSAVG: 3026400 28.4554 -38.0796 22.4541 -38.0796 24.0409 21.7592 22.4541 21.7592 3.38315 GPRESSAVG: 3026400 27.2616 -38.8041 23.7732 -37.6662 24.9834 24.18 21.0027 22.5079 3.68426 TIMING: 3026400 CPU: 9558.1, 0.00317914/step Wall: 9558.1, 0.00317914/step, 1.74288 hours remaining, 235.585938 MB of memory in use. ENERGY: 3026400 3984.4053 20728.3075 14338.5001 242.3152 -202965.2354 2429.6811 0.0000 0.0000 52082.1238 -109159.9025 299.3167 -161242.0263 -108792.1006 300.9957 -90.3499 -67.8331 762595.8992 18.6265 18.6431 PRESSURE: 3026600 -295.695 11.1594 -172.033 11.1585 -238.555 123.416 -172.033 123.417 150.985 GPRESSURE: 3026600 -214.521 36.1141 -98.9518 -14.4736 -248.39 56.4262 -100.409 44.7425 169.458 PRESSAVG: 3026600 17.4435 -3.28937 39.5981 -3.28939 -14.2602 9.71266 39.5981 9.71255 -17.1434 GPRESSAVG: 3026600 17.3333 -4.72607 39.3956 -2.27277 -14.8477 8.62406 40.7498 10.6802 -17.1056 TIMING: 3026600 CPU: 9558.73, 0.00316419/step Wall: 9558.73, 0.00316419/step, 1.7345 hours remaining, 235.585938 MB of memory in use. ENERGY: 3026600 3978.6341 20522.7762 14361.5463 246.3085 -203130.2472 2457.2396 0.0000 0.0000 52476.7378 -109087.0046 301.5845 -161563.7424 -108737.1196 300.8496 -127.7553 -97.8174 762824.9448 -4.6534 -4.8733 PRESSURE: 3026800 212.938 -2.19955 63.08 -2.19869 -335.737 252.225 63.0802 252.226 -16.5341 GPRESSURE: 3026800 284.218 -30.8626 77.0451 -173.028 -246.665 238.047 97.7505 286.548 -94.1738 PRESSAVG: 3026800 21.3867 -5.25335 -1.63474 -5.25335 -46.4073 8.79499 -1.63471 8.795 17.2653 GPRESSAVG: 3026800 21.416 -5.07474 -2.54002 -5.63358 -46.4002 9.64128 -3.34554 8.60965 17.9965 TIMING: 3026800 CPU: 9559.36, 0.00314356/step Wall: 9559.36, 0.00314356/step, 1.72302 hours remaining, 235.585938 MB of memory in use. ENERGY: 3026800 3935.5629 20602.7013 14405.4854 251.8012 -203283.9309 2653.5408 0.0000 0.0000 52229.3216 -109205.5178 300.1626 -161434.8394 -108845.4325 300.5620 -46.4441 -18.8737 760619.9181 -2.5851 -2.3292 PRESSURE: 3027000 -138.228 -45.5235 6.76865 -45.5228 -71.5933 101.343 6.76835 101.343 -6.84167 GPRESSURE: 3027000 -120.302 -7.27439 1.51394 -82.4864 35.7482 117.205 11.8977 99.8803 -40.0957 PRESSAVG: 3027000 16.4619 -14.0907 23.7595 -14.0908 -23.6663 -21.5476 23.7595 -21.5476 -27.3629 GPRESSAVG: 3027000 16.7264 -13.6468 24.9801 -14.2076 -23.0238 -22.0711 22.9015 -23.078 -28.2727 TIMING: 3027000 CPU: 9559.99, 0.00316009/step Wall: 9559.99, 0.00316009/step, 1.73191 hours remaining, 235.585938 MB of memory in use. ENERGY: 3027000 3904.8112 20488.5159 14370.1801 258.7885 -202727.6959 2178.2260 0.0000 0.0000 52156.0258 -109371.1484 299.7414 -161527.1742 -109014.8995 299.6007 -72.2211 -41.5498 762494.1828 -11.5224 -11.5234 PRESSURE: 3027200 80.7156 -108.231 -74.3958 -108.231 12.0199 77.6139 -74.3959 77.6137 -84.7604 GPRESSURE: 3027200 183.577 -265.977 -109.25 -19.1651 -41.7308 40.3621 -90.0913 -3.45555 -41.0246 PRESSAVG: 3027200 28.332 -31.2073 -10.6124 -31.2073 -14.4737 -59.2297 -10.6124 -59.2297 12.3306 GPRESSAVG: 3027200 28.0069 -30.4348 -10.886 -31.0872 -15.1867 -60.1868 -8.99232 -58.7038 13.0442 TIMING: 3027200 CPU: 9560.62, 0.00314811/step Wall: 9560.62, 0.00314811/step, 1.72517 hours remaining, 235.585938 MB of memory in use. ENERGY: 3027200 3943.3986 20444.6281 14436.7259 239.7971 -203415.1212 2665.2073 0.0000 0.0000 52294.0478 -109391.3164 300.5346 -161685.3642 -109025.4894 299.5103 2.6584 33.6072 761958.5675 8.7296 8.6215 PRESSURE: 3027400 -56.441 -142.301 -93.0314 -142.301 249.349 8.94115 -93.0314 8.9412 131.573 GPRESSURE: 3027400 16.8388 -212.187 -139.657 -126.636 281.714 22.3707 -56.1015 79.0711 101.005 PRESSAVG: 3027400 3.73335 -43.016 41.2446 -43.016 -70.6521 -19.9198 41.2446 -19.9199 -24.8649 GPRESSAVG: 3027400 5.09906 -42.3958 41.4096 -42.8108 -70.6895 -18.1469 41.525 -21.0049 -25.7428 TIMING: 3027400 CPU: 9561.25, 0.00315064/step Wall: 9561.25, 0.00315064/step, 1.72637 hours remaining, 235.585938 MB of memory in use. ENERGY: 3027400 4039.8984 20460.2929 14428.8314 248.2005 -203823.7750 2921.4353 0.0000 0.0000 52020.4786 -109704.6380 298.9624 -161725.1166 -109345.1966 299.0358 108.1600 133.1860 760775.3917 -30.5945 -30.4444 PRESSURE: 3027600 -134.867 -14.2427 -27.9485 -14.2434 -450.953 26.3375 -27.9492 26.338 -360.548 GPRESSURE: 3027600 -194.673 -11.1629 -39.9858 -87.4431 -300.745 -11.7405 97.7417 80.4872 -355.757 PRESSAVG: 3027600 16.3359 -26.8399 35.8563 -26.8398 -21.1677 16.591 35.8563 16.5911 -12.7486 GPRESSAVG: 3027600 15.0037 -29.7713 35.5496 -26.6334 -20.5081 17.7996 36.9122 16.081 -12.127 TIMING: 3027600 CPU: 9561.88, 0.00314287/step Wall: 9561.88, 0.00314287/step, 1.72194 hours remaining, 235.585938 MB of memory in use. ENERGY: 3027600 4000.1303 20460.1180 14346.2072 249.8853 -202953.2052 2269.9724 0.0000 0.0000 52060.8454 -109566.0467 299.1944 -161626.8921 -109213.1837 298.9815 -315.4562 -283.7249 762801.8234 -5.8601 -5.8771 PRESSURE: 3027800 223.049 10.9541 86.4644 10.9538 -64.2305 -105.721 86.4645 -105.721 -147.874 GPRESSURE: 3027800 254.826 -76.1858 53.586 12.4603 -24.9083 -201.074 21.4572 -62.3835 -145.905 PRESSAVG: 3027800 48.5242 19.7338 -16.8752 19.7338 -30.492 21.9964 -16.8751 21.9964 17.6744 GPRESSAVG: 3027800 48.7353 21.2174 -14.4292 17.529 -30.016 19.6186 -18.7022 25.1231 16.6411 TIMING: 3027800 CPU: 9562.51, 0.00315654/step Wall: 9562.51, 0.00315654/step, 1.72926 hours remaining, 235.585938 MB of memory in use. ENERGY: 3027800 4019.2137 20532.2885 14415.3709 246.4666 -203501.5233 2664.5740 0.0000 0.0000 51834.6748 -109788.9348 297.8946 -161623.6096 -109420.3905 298.6950 3.6484 28.0044 762040.6952 11.9022 11.7868 PRESSURE: 3028000 -87.6541 163.184 -70.7703 163.184 -316.934 -203.097 -70.7696 -203.097 124.273 GPRESSURE: 3028000 -132.677 105.476 -35.1353 65.04 -244.132 -71.4416 -70.4709 -202.275 196.053 PRESSAVG: 3028000 41.0988 -32.4446 -34.8277 -32.4446 -30.1418 47.9497 -34.8278 47.9497 -2.24095 GPRESSAVG: 3028000 40.838 -31.2711 -37.0567 -32.4401 -30.9129 49.2334 -35.1137 48.4645 -1.66586 TIMING: 3028000 CPU: 9563.14, 0.00316855/step Wall: 9563.14, 0.00316855/step, 1.73566 hours remaining, 235.585938 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: 3028000 3982.7097 20573.7645 14479.3575 251.8155 -203344.0570 2614.6643 0.0000 0.0000 52013.4924 -109428.2530 298.9223 -161441.7454 -109067.6534 299.0127 -93.4384 -60.2519 763002.0375 2.9054 2.7531 PRESSURE: 3028200 -253.375 -64.4551 84.8157 -64.4539 -217.691 -121.17 84.8153 -121.169 -202.227 GPRESSURE: 3028200 -231.539 -196.264 125.651 15.2988 -83.6389 -112.679 -24.2339 -135.428 -261.648 PRESSAVG: 3028200 -1.33964 -11.7033 47.8226 -11.7033 2.98728 -5.84033 47.8226 -5.84023 16.8918 GPRESSAVG: 3028200 -0.533304 -12.9907 48.2871 -10.0499 2.10544 -8.00874 47.45 -7.25397 16.5196 TIMING: 3028200 CPU: 9563.78, 0.00316884/step Wall: 9563.78, 0.00316884/step, 1.73564 hours remaining, 235.585938 MB of memory in use. ENERGY: 3028200 3977.5835 20512.3368 14344.7589 234.6356 -202935.6360 2339.2398 0.0000 0.0000 52087.1284 -109439.9530 299.3454 -161527.0814 -109071.4926 299.1623 -224.4310 -192.2755 763702.0230 6.1798 6.0306 LDB: ============= START OF LOAD BALANCING ============== 9576.31 LDB: ============== END OF LOAD BALANCING =============== 9576.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9576.31 LDB: ============= START OF LOAD BALANCING ============== 9576.63 LDB: Largest compute 7057 load 0.030999 is 15.8% of average load 0.195672 LDB: Average compute 0.004364 is 2.2% of average load 0.195672 LDB: TIME 9576.63 LOAD: AVG 0.195672 MAX 0.214834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 9576.63 LOAD: AVG 0.195672 MAX 0.214834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 9576.63 LOAD: AVG 0.195672 MAX 0.214834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 9576.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9576.64 PRESSURE: 3028400 -39.543 -23.9755 77.9577 -23.9755 -24.7191 -68.511 77.9582 -68.5116 -510.891 GPRESSURE: 3028400 -144.912 -30.1211 121.829 -81.3248 97.3931 -56.922 113.994 -296.737 -434.466 PRESSAVG: 3028400 5.60877 -3.91605 8.66024 -3.91605 1.28361 -49.0741 8.66011 -49.0741 -22.1005 GPRESSAVG: 3028400 4.23252 -3.92168 7.50931 -3.73177 2.53808 -47.1073 9.02115 -49.8912 -21.5581 TIMING: 3028400 CPU: 9564.42, 0.00321491/step Wall: 9564.42, 0.00321491/step, 1.7607 hours remaining, 237.894531 MB of memory in use. ENERGY: 3028400 4034.2739 20430.0556 14391.5866 220.1803 -203047.9378 2462.2074 0.0000 0.0000 52186.2306 -109323.4033 299.9150 -161509.6339 -108965.1446 299.4935 -191.7175 -160.6615 761592.5435 -5.0694 -4.9292 PRESSURE: 3028600 -3.28063 34.311 -13.3864 34.3105 -176.711 -0.369502 -13.3851 -0.370563 -35.2241 GPRESSURE: 3028600 -57.4972 -18.4606 47.0465 100.621 -58.9751 77.3691 9.10367 62.4033 -30.8478 PRESSAVG: 3028600 9.42321 -29.9892 29.2138 -29.9892 3.42008 -45.9256 29.2138 -45.9257 5.87751 GPRESSAVG: 3028600 10.5131 -29.1751 30.3657 -30.0759 3.02509 -46.4672 30.7722 -44.0628 4.6212 TIMING: 3028600 CPU: 9565.05, 0.00314422/step Wall: 9565.05, 0.00314422/step, 1.72181 hours remaining, 238.097656 MB of memory in use. ENERGY: 3028600 3975.7042 20522.7249 14424.0320 227.7792 -203253.2726 2708.6483 0.0000 0.0000 52153.1017 -109241.2823 299.7246 -161394.3840 -108883.0329 299.6460 -71.7385 -49.1067 762186.9446 6.2403 6.0531 PRESSURE: 3028800 59.6983 37.9147 239.857 37.9141 -335.556 161.455 239.857 161.454 -303.157 GPRESSURE: 3028800 41.5692 46.3533 249.009 32.7871 -247.135 106.816 149.033 268.988 -291.182 PRESSAVG: 3028800 -10.5726 -43.3848 23.9161 -43.3849 -32.634 6.84042 23.9161 6.84049 -0.673323 GPRESSAVG: 3028800 -10.7533 -44.8473 25.249 -41.6404 -33.0378 6.4819 20.9428 7.9965 0.821365 TIMING: 3028800 CPU: 9565.68, 0.00315231/step Wall: 9565.68, 0.00315231/step, 1.72607 hours remaining, 238.097656 MB of memory in use. ENERGY: 3028800 4017.4033 20537.9048 14460.9378 248.3152 -202993.3403 2344.8063 0.0000 0.0000 52086.5905 -109297.3825 299.3424 -161383.9730 -108935.7337 299.6069 -193.0047 -165.5826 762955.2593 -14.6266 -14.3232 PRESSURE: 3029000 -185.093 -200.656 129.291 -200.655 -96.6132 40.961 129.291 40.9611 -309.264 GPRESSURE: 3029000 -119.856 -167.299 130.47 -144.19 -47.4333 -55.4943 168.271 -9.52587 -356.109 PRESSAVG: 3029000 -94.5567 -74.7615 -23.8972 -74.7615 87.5082 42.332 -23.8971 42.3321 -18.8312 GPRESSAVG: 3029000 -93.9467 -73.3527 -25.5784 -76.4742 87.8597 43.8405 -20.7889 39.8052 -20.0433 TIMING: 3029000 CPU: 9566.31, 0.00314315/step Wall: 9566.31, 0.00314315/step, 1.72087 hours remaining, 238.097656 MB of memory in use. ENERGY: 3029000 4063.1012 20659.1559 14474.8163 243.1602 -203684.9893 2862.9635 0.0000 0.0000 51879.1619 -109502.6303 298.1503 -161381.7922 -109147.5272 298.9266 -196.9902 -174.4658 763212.3616 -8.6266 -8.7101 PRESSURE: 3029200 -136.749 235.55 115.467 235.549 -423.106 78.7187 115.467 78.7191 -85.6707 GPRESSURE: 3029200 -180.354 179.429 -7.9931 189.354 -456.091 44.5238 0.617654 -19.7156 61.3173 PRESSAVG: 3029200 -5.23632 -17.4344 -45.6006 -17.4345 0.772109 -11.6711 -45.6006 -11.6711 8.76221 GPRESSAVG: 3029200 -3.8204 -18.4895 -45.679 -17.6744 0.429238 -13.0951 -46.8112 -11.9649 8.16526 TIMING: 3029200 CPU: 9566.94, 0.00314846/step Wall: 9566.94, 0.00314846/step, 1.7236 hours remaining, 238.097656 MB of memory in use. ENERGY: 3029200 4005.6006 20429.4862 14362.3949 237.7670 -203072.1569 2266.8243 0.0000 0.0000 52190.9168 -109579.1671 299.9419 -161770.0839 -109215.6281 299.1396 -215.1750 -191.7093 763163.1021 1.4327 1.5914 PRESSURE: 3029400 216.18 -175.788 184.136 -175.788 -31.0248 12.041 184.136 12.0412 165.247 GPRESSURE: 3029400 190.374 -215.069 176.649 -267.459 9.26759 -20.7278 107.735 -23.7214 224.597 PRESSAVG: 3029400 9.88824 -15.8922 -47.2871 -15.8922 -7.12794 -6.6768 -47.2871 -6.67679 -21.2618 GPRESSAVG: 3029400 9.64488 -15.4094 -47.0904 -13.3623 -8.16447 -6.18751 -48.4503 -6.67815 -19.9104 TIMING: 3029400 CPU: 9567.57, 0.00316901/step Wall: 9567.57, 0.00316901/step, 1.73468 hours remaining, 238.097656 MB of memory in use. ENERGY: 3029400 3963.1506 20605.6049 14441.8865 227.3638 -203223.4192 2494.1314 0.0000 0.0000 51819.4664 -109671.8156 297.8072 -161491.2820 -109310.1695 299.0774 116.8007 141.4128 760792.8868 -6.1672 -6.1433 PRESSURE: 3029600 -80.9759 -17.1031 118.115 -17.1042 -247.719 -5.09661 118.116 -5.09496 -168.459 GPRESSURE: 3029600 -66.5123 -118.869 110.604 -44.1668 -248.144 -20.5106 147.765 54.6352 -95.3524 PRESSAVG: 3029600 1.42552 -39.8148 9.12389 -39.8148 29.5841 4.52173 9.12388 4.52171 -1.13377 GPRESSAVG: 3029600 1.08938 -40.3145 9.84579 -43.5417 29.6126 4.38675 10.8579 5.87546 -0.567899 TIMING: 3029600 CPU: 9568.2, 0.00315304/step Wall: 9568.2, 0.00315304/step, 1.72577 hours remaining, 238.097656 MB of memory in use. ENERGY: 3029600 3920.4926 20425.4229 14366.3700 236.2747 -203316.3632 2484.7523 0.0000 0.0000 52138.6336 -109744.4170 299.6414 -161883.0506 -109368.2191 298.9311 -165.7180 -136.6694 762080.2280 9.9586 10.0447 PRESSURE: 3029800 306.996 -0.365311 -83.412 -0.364654 86.9297 260.576 -83.4123 260.576 -49.6711 GPRESSURE: 3029800 275.717 36.0526 -105.801 27.4526 60.2977 328.467 -124.404 92.03 86.0229 PRESSAVG: 3029800 41.3298 -73.5654 -21.23 -73.5655 -1.75867 35.987 -21.2301 35.987 11.5664 GPRESSAVG: 3029800 40.3417 -72.4953 -21.3632 -73.2937 -1.12248 36.2318 -21.0633 36.3445 11.7184 TIMING: 3029800 CPU: 9568.83, 0.00314569/step Wall: 9568.83, 0.00314569/step, 1.72157 hours remaining, 238.097656 MB of memory in use. ENERGY: 3029800 4030.7598 20582.4089 14419.8604 234.0416 -203627.1201 3003.4274 0.0000 0.0000 51676.1519 -109680.4701 296.9836 -161356.6220 -109331.9626 298.5717 114.7516 140.6793 762155.2867 17.0458 16.9792 PRESSURE: 3030000 85.7974 -89.0959 135.715 -89.0956 90.8451 -16.9572 135.715 -16.9564 130.637 GPRESSURE: 3030000 163.726 -40.6647 189.641 -179.477 109.19 13.302 91.0009 -69.3532 133.209 PRESSAVG: 3030000 -4.60972 -62.0308 -5.82561 -62.0308 -0.931077 83.7722 -5.82558 83.7722 17.0878 GPRESSAVG: 3030000 -3.92883 -61.0108 -6.68486 -60.7397 -1.39452 83.2301 -6.99079 83.6801 16.6538 TIMING: 3030000 CPU: 9569.46, 0.00313861/step Wall: 9569.46, 0.00313861/step, 1.71752 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: 3030000 3984.5376 20504.6960 14377.1891 252.2882 -203638.4526 2752.9252 0.0000 0.0000 52167.7891 -109599.0275 299.8090 -161766.8165 -109233.3089 298.9888 102.4266 135.3747 760635.6982 3.8490 3.7768 PRESSURE: 3030200 -101.458 -54.3182 268.364 -54.3188 59.3602 -218.396 268.365 -218.396 10.5967 GPRESSURE: 3030200 -110.478 7.5112 202.104 -90.883 147.645 -205.55 236.073 -357.507 18.0988 PRESSAVG: 3030200 31.7768 -31.7018 61.0034 -31.7018 -8.48386 -15.4307 61.0033 -15.4308 -0.245098 GPRESSAVG: 3030200 31.8098 -31.2731 63.5412 -33.3336 -7.20594 -15.3101 60.5863 -15.5436 -1.39335 TIMING: 3030200 CPU: 9570.09, 0.00314958/step Wall: 9570.09, 0.00314958/step, 1.72335 hours remaining, 238.097656 MB of memory in use. ENERGY: 3030200 3967.0302 20394.1669 14387.9778 275.3307 -203333.4166 2649.4843 0.0000 0.0000 52111.6536 -109547.7730 299.4864 -161659.4266 -109176.9307 299.0531 -10.5002 18.4220 761032.7644 7.6826 7.7368 PRESSURE: 3030400 80.5779 195.887 -199.323 195.886 -197.721 -268.507 -199.322 -268.507 174.216 GPRESSURE: 3030400 80.2943 115.264 -179.429 104.859 -183.916 -183.634 -171.733 -231.611 244.558 PRESSAVG: 3030400 47.9249 -13.9868 3.36986 -13.9867 4.63172 46.403 3.3699 46.403 -9.17759 GPRESSAVG: 3030400 48.357 -14.6659 2.43855 -12.8448 3.91466 47.4865 5.26921 45.5997 -9.18706 TIMING: 3030400 CPU: 9570.72, 0.00314464/step Wall: 9570.72, 0.00314464/step, 1.72046 hours remaining, 238.097656 MB of memory in use. ENERGY: 3030400 4088.6923 20476.2619 14339.5251 235.6927 -203013.7398 2328.4210 0.0000 0.0000 52069.9931 -109475.1538 299.2470 -161545.1469 -109113.2326 299.2650 19.0244 46.9788 759878.2314 14.4597 14.3615 PRESSURE: 3030600 -106.022 -99.1545 -298.661 -99.1553 -72.1386 -81.4188 -298.661 -81.4206 380.734 GPRESSURE: 3030600 -62.1117 -35.7721 -269.168 30.6714 52.3205 26.5425 -180.146 -72.4041 289.186 PRESSAVG: 3030600 39.3886 -20.2039 -37.7167 -20.2038 -39.1813 -23.8818 -37.7167 -23.8819 -27.2324 GPRESSAVG: 3030600 38.4248 -19.3755 -38.4457 -19.3852 -38.533 -24.815 -38.8198 -25.3673 -27.5312 TIMING: 3030600 CPU: 9571.35, 0.00317514/step Wall: 9571.35, 0.00317514/step, 1.73698 hours remaining, 238.097656 MB of memory in use. ENERGY: 3030600 3924.5625 20780.4811 14426.0173 251.7055 -203354.3925 2469.8348 0.0000 0.0000 52151.9924 -109349.7990 299.7182 -161501.7914 -108990.2200 299.4909 67.5243 93.1316 760768.3507 -9.0084 -9.2132 PRESSURE: 3030800 -133.679 -113.037 118.655 -113.038 -43.8094 59.2274 118.655 59.2279 420.489 GPRESSURE: 3030800 -63.2094 -110.44 147.595 -124.672 -106.948 168.922 199.794 55.824 489.143 PRESSAVG: 3030800 4.43351 -5.12607 -49.8526 -5.12608 -20.2088 11.0291 -49.8526 11.0291 -6.05755 GPRESSAVG: 3030800 5.0225 -7.03782 -50.6666 -5.62895 -20.8605 10.473 -49.0704 15.6225 -5.24395 TIMING: 3030800 CPU: 9571.98, 0.0031474/step Wall: 9571.98, 0.0031474/step, 1.72163 hours remaining, 238.097656 MB of memory in use. ENERGY: 3030800 3970.4327 20419.0083 14499.9079 242.6078 -203227.6000 2583.3574 0.0000 0.0000 51862.7411 -109649.5447 298.0559 -161512.2858 -109283.4353 299.1958 81.0003 106.3287 762612.1260 -7.2776 -7.0273 PRESSURE: 3031000 179.439 -176.277 -98.2281 -176.278 107.605 -127.64 -98.2273 -127.638 36.4015 GPRESSURE: 3031000 162.432 -161.801 -118.114 -142.959 194.535 -111.359 -74.0103 -334.629 45.5394 PRESSAVG: 3031000 75.3065 -38.3701 -1.0381 -38.3701 -61.0964 -26.3398 -1.03811 -26.3397 -6.92964 GPRESSAVG: 3031000 74.2677 -38.2015 0.306906 -38.2763 -60.5095 -26.3735 -1.33971 -30.9383 -6.52793 TIMING: 3031000 CPU: 9572.62, 0.00316165/step Wall: 9572.62, 0.00316165/step, 1.72925 hours remaining, 238.097656 MB of memory in use. ENERGY: 3031000 3909.1946 20431.7862 14477.9941 220.9675 -203384.1970 2688.9427 0.0000 0.0000 52108.3305 -109546.9815 299.4673 -161655.3120 -109184.7077 298.7290 107.8153 134.1687 761244.6530 2.4268 2.4101 PRESSURE: 3031200 123.511 139.522 -7.73933 139.522 -496.257 -57.8798 -7.73888 -57.8807 -59.5774 GPRESSURE: 3031200 154.703 146.49 -86.6754 153.983 -394.626 -65.0895 66.3781 2.41173 -106.24 PRESSAVG: 3031200 55.8232 -53.1907 -35.1441 -53.1907 -43.567 29.0584 -35.144 29.0585 21.084 GPRESSAVG: 3031200 56.7106 -53.1156 -37.2108 -50.586 -43.3 31.0684 -34.1615 30.635 19.6056 TIMING: 3031200 CPU: 9573.25, 0.0031606/step Wall: 9573.25, 0.0031606/step, 1.7285 hours remaining, 238.097656 MB of memory in use. ENERGY: 3031200 4029.2931 20419.5708 14413.5836 239.6218 -203325.0586 2752.2432 0.0000 0.0000 51990.1951 -109480.5511 298.7884 -161470.7462 -109119.0340 298.5617 -144.1077 -115.3876 762421.1534 11.1134 11.0054 PRESSURE: 3031400 271.809 -99.7315 183.239 -99.731 -37.8299 25.3104 183.239 25.3111 9.74019 GPRESSURE: 3031400 252.761 -58.2764 144.761 -34.2274 40.8002 -58.9449 276.744 -34.3536 16.5447 PRESSAVG: 3031400 30.762 -51.839 17.1882 -51.839 -27.6537 -21.0869 17.1881 -21.0869 -12.1448 GPRESSAVG: 3031400 30.1241 -51.6895 18.2033 -52.7725 -28.499 -23.0455 15.7498 -20.2517 -11.0596 TIMING: 3031400 CPU: 9573.88, 0.00316414/step Wall: 9573.88, 0.00316414/step, 1.73026 hours remaining, 238.097656 MB of memory in use. ENERGY: 3031400 4024.8112 20469.1788 14432.8651 236.2132 -203304.1319 2597.7583 0.0000 0.0000 51835.2913 -109708.0142 297.8981 -161543.3054 -109355.4977 298.8174 81.2396 103.3687 762270.4893 -3.0122 -3.1448 PRESSURE: 3031600 -410.324 -37.2376 23.2111 -37.2383 -220.852 229.88 23.2112 229.879 416.151 GPRESSURE: 3031600 -230.508 -173.575 49.1288 35.0907 -319.914 226.844 -143.521 210.665 410.425 PRESSAVG: 3031600 -4.23052 -22.3438 23.9482 -22.3437 -13.5241 17.9663 23.9482 17.9662 4.27045 GPRESSAVG: 3031600 -2.73225 -21.6949 23.9928 -24.0857 -14.4979 17.9095 25.9671 17.8653 3.61734 TIMING: 3031600 CPU: 9574.52, 0.00317667/step Wall: 9574.52, 0.00317667/step, 1.73693 hours remaining, 238.097656 MB of memory in use. ENERGY: 3031600 3910.5540 20512.2855 14445.7945 225.1515 -203245.2773 2484.7953 0.0000 0.0000 51879.4852 -109787.2113 298.1521 -161666.6965 -109430.5146 298.6995 -71.6750 -46.6659 764151.0141 -4.4947 -4.5376 PRESSURE: 3031800 -282.74 53.4813 9.24123 53.4824 -122.44 -195.957 9.24044 -195.956 -378.349 GPRESSURE: 3031800 -286.621 56.7135 30.0434 -67.9806 3.9187 -130.801 -33.3668 -220.397 -408.488 PRESSAVG: 3031800 34.5997 -69.3979 -38.9555 -69.3979 -33.4555 16.4064 -38.9555 16.4065 -19.9731 GPRESSAVG: 3031800 34.3151 -71.0971 -38.3838 -68.1914 -33.2178 16.3009 -39.7848 16.2216 -19.9594 TIMING: 3031800 CPU: 9575.15, 0.00316903/step Wall: 9575.15, 0.00316903/step, 1.73258 hours remaining, 238.097656 MB of memory in use. ENERGY: 3031800 4003.9980 20355.2095 14361.2363 251.0654 -203208.4462 2608.9354 0.0000 0.0000 51788.5064 -109839.4953 297.6293 -161628.0016 -109480.8343 297.1998 -261.1763 -230.3969 763236.3667 -6.2763 -6.2874 PRESSURE: 3032000 -132.352 -77.8884 -8.98821 -77.8882 -92.7547 7.42024 -8.9874 7.42032 204.883 GPRESSURE: 3032000 -131.703 7.13895 21.6078 -106.184 82.263 -94.0454 -115.375 12.5528 127.833 PRESSAVG: 3032000 18.0677 -14.5189 23.4782 -14.5188 -22.0622 38.2811 23.4781 38.2811 4.63055 GPRESSAVG: 3032000 17.4548 -13.1693 24.8299 -15.8864 -20.5003 39.2242 22.0111 39.5246 4.17356 TIMING: 3032000 CPU: 9575.78, 0.00317274/step Wall: 9575.78, 0.00317274/step, 1.73443 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: 3032000 3995.8074 20232.1275 14391.7486 214.4365 -203271.5611 2526.6391 0.0000 0.0000 51908.8842 -110001.9177 298.3211 -161910.8019 -109638.3988 297.6308 -6.7413 26.1309 762007.0115 0.2120 0.3761 PRESSURE: 3032200 76.1917 -36.8316 112.824 -36.8314 -192.212 263.304 112.823 263.304 -62.0097 GPRESSURE: 3032200 33.47 -49.0872 86.8612 61.4253 -135.726 200.924 183.434 256.701 0.887389 PRESSAVG: 3032200 9.6741 -38.487 10.4958 -38.4869 8.78284 -7.73245 10.4958 -7.73242 -11.494 GPRESSAVG: 3032200 9.11275 -37.6236 8.63673 -37.6395 8.27731 -8.64467 11.2383 -8.3227 -10.1727 TIMING: 3032200 CPU: 9576.42, 0.00317323/step Wall: 9576.42, 0.00317323/step, 1.73452 hours remaining, 238.097656 MB of memory in use. ENERGY: 3032200 3941.3055 20380.2580 14356.1527 225.8132 -203265.4029 2372.0911 0.0000 0.0000 52079.3160 -109910.4664 299.3005 -161989.7824 -109554.3794 298.1082 -59.3435 -33.7897 761774.9608 2.3210 2.4058 LDB: ============= START OF LOAD BALANCING ============== 9588.95 LDB: ============== END OF LOAD BALANCING =============== 9588.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9588.96 LDB: ============= START OF LOAD BALANCING ============== 9589.27 LDB: Largest compute 7076 load 0.031289 is 16.0% of average load 0.195678 LDB: Average compute 0.004357 is 2.2% of average load 0.195678 LDB: TIME 9589.27 LOAD: AVG 0.195678 MAX 0.218834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 9589.28 LOAD: AVG 0.195678 MAX 0.218834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.109 MB LDB: TIME 9589.28 LOAD: AVG 0.195678 MAX 0.216799 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.109 MB LDB: ============== END OF LOAD BALANCING =============== 9589.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9589.28 PRESSURE: 3032400 -53.0447 10.7299 -121.364 10.7296 48.3831 -35.0813 -121.364 -35.082 335.607 GPRESSURE: 3032400 57.6699 93.5008 -55.2362 -38.3788 30.0907 -79.8669 -131.772 19.0095 315.715 PRESSAVG: 3032400 -15.5524 14.7494 28.2038 14.7494 15.4326 -33.8929 28.2038 -33.8929 -6.57578 GPRESSAVG: 3032400 -14.4018 14.0922 28.0445 14.907 14.7856 -34.0868 26.8695 -32.8782 -7.10419 TIMING: 3032400 CPU: 9577.07, 0.00323252/step Wall: 9577.07, 0.00323252/step, 1.76675 hours remaining, 234.812500 MB of memory in use. ENERGY: 3032400 3937.0915 20313.7187 14421.3874 248.7760 -203116.6471 2771.7422 0.0000 0.0000 51743.7375 -109680.1940 297.3720 -161423.9314 -109313.6345 298.1597 110.3152 134.4920 763419.5969 -2.2319 -2.2401 PRESSURE: 3032600 66.4489 -18.1847 10.5903 -18.1843 172.763 -70.3115 10.5901 -70.3106 375.149 GPRESSURE: 3032600 177.079 -38.4853 -50.414 54.3253 161.629 -26.0823 36.7094 -124.023 345.393 PRESSAVG: 3032600 34.9636 -9.04708 6.61517 -9.0471 -63.5865 20.6138 6.61518 20.6138 -13.0411 GPRESSAVG: 3032600 34.8719 -9.21325 7.39762 -8.51983 -63.3992 22.3766 8.13449 16.5581 -13.1105 TIMING: 3032600 CPU: 9577.7, 0.00318156/step Wall: 9577.7, 0.00318156/step, 1.73872 hours remaining, 234.812500 MB of memory in use. ENERGY: 3032600 3937.6641 20570.8878 14374.9972 244.0587 -203473.5994 2759.7217 0.0000 0.0000 52044.1096 -109542.1604 299.0982 -161586.2700 -109182.5913 298.7870 204.7871 228.0339 763434.8946 -13.8880 -13.8793 PRESSURE: 3032800 16.1181 -7.57618 95.3869 -7.57666 -52.6095 -241.339 95.3863 -241.339 -370.897 GPRESSURE: 3032800 52.7881 9.87764 60.3636 -6.81558 34.4639 -232.152 117.203 -172.269 -410.682 PRESSAVG: 3032800 12.6563 26.3693 -0.609355 26.3693 -16.0067 -13.8745 -0.609354 -13.8744 5.23951 GPRESSAVG: 3032800 13.686 25.7106 -1.2889 24.1235 -15.2904 -15.2057 -0.0073642 -8.9889 4.20264 TIMING: 3032800 CPU: 9578.33, 0.00316526/step Wall: 9578.33, 0.00316526/step, 1.72964 hours remaining, 234.812500 MB of memory in use. ENERGY: 3032800 3992.5820 20444.1880 14448.3626 249.4668 -203669.7334 2710.0664 0.0000 0.0000 52255.1623 -109569.9054 300.3111 -161825.0676 -109202.5601 298.7711 -135.7962 -107.8101 761481.6146 0.6297 0.8661 PRESSURE: 3033000 -120.6 -27.8351 -57.0669 -27.8352 -4.21085 175.556 -57.0668 175.556 -128.889 GPRESSURE: 3033000 -144.693 29.0791 -102.591 -34.2101 42.3281 129.895 -41.6165 46.564 -49.0578 PRESSAVG: 3033000 -40.9126 -35.5219 56.6143 -35.522 24.4147 30.4947 56.6143 30.4948 0.178461 GPRESSAVG: 3033000 -42.5507 -34.5456 57.2811 -33.7336 24.0926 32.3771 55.0257 27.4213 2.51877 TIMING: 3033000 CPU: 9578.97, 0.00316106/step Wall: 9578.97, 0.00316106/step, 1.72717 hours remaining, 234.812500 MB of memory in use. ENERGY: 3033000 4061.5329 20470.8693 14420.4591 239.7658 -203054.5396 2759.3246 0.0000 0.0000 51590.9637 -109511.6242 296.4940 -161102.5879 -109154.1994 299.2289 -84.5665 -50.4742 761595.2845 -5.4398 -5.3131 PRESSURE: 3033200 -276.363 -17.4176 58.8282 -17.4176 -115.168 -10.6713 58.8276 -10.6708 -94.5092 GPRESSURE: 3033200 -190.949 11.4043 17.8755 55.3984 -147.721 -63.3652 1.98254 32.1102 -64.4709 PRESSAVG: 3033200 34.9029 8.06169 -14.7414 8.06171 6.35872 77.9208 -14.7415 77.9206 14.9003 GPRESSAVG: 3033200 35.8473 8.89429 -15.1314 7.06189 6.45621 76.0114 -14.4727 77.7672 13.7464 TIMING: 3033200 CPU: 9579.6, 0.00314543/step Wall: 9579.6, 0.00314543/step, 1.71845 hours remaining, 234.812500 MB of memory in use. ENERGY: 3033200 4036.2473 20660.6415 14390.9267 228.7788 -203042.2452 2518.0325 0.0000 0.0000 51936.1487 -109271.4697 298.4778 -161207.6184 -108916.1196 299.4266 -162.0134 -134.3803 762801.5725 18.7206 18.6833 PRESSURE: 3033400 30.8087 -207.989 243.735 -207.988 28.7117 173.883 243.735 173.883 109.319 GPRESSURE: 3033400 86.2928 -229.478 147.953 -156.683 83.732 181.589 166.389 215.313 86.3016 PRESSAVG: 3033400 -11.5935 -34.2279 4.56816 -34.2279 12.4653 75.5494 4.56813 75.5494 10.3002 GPRESSAVG: 3033400 -10.6741 -35.3261 3.77521 -31.6893 11.5957 77.7127 6.83942 75.8916 10.6018 TIMING: 3033400 CPU: 9580.23, 0.00316833/step Wall: 9580.23, 0.00316833/step, 1.73079 hours remaining, 234.812500 MB of memory in use. ENERGY: 3033400 4081.7572 20565.2570 14346.0037 242.9858 -202762.7511 2276.2909 0.0000 0.0000 51994.0114 -109256.4451 298.8103 -161250.4565 -108885.0349 299.9000 56.2797 85.4421 761193.7875 3.7240 3.8411 PRESSURE: 3033600 -210.707 157.5 63.3347 157.5 -8.54007 174.35 63.3354 174.35 272.047 GPRESSURE: 3033600 -174.45 139.595 37.674 93.6739 57.4203 190.122 -74.1395 229.123 245.495 PRESSAVG: 3033600 -26.4665 -54.8858 -67.0941 -54.8858 15.779 -1.98215 -67.0941 -1.98209 -1.05013 GPRESSAVG: 3033600 -27.3423 -53.5297 -66.6757 -58.2325 16.0569 -2.22178 -67.9505 -1.18576 -0.974143 TIMING: 3033600 CPU: 9580.86, 0.00315827/step Wall: 9580.86, 0.00315827/step, 1.72512 hours remaining, 234.812500 MB of memory in use. ENERGY: 3033600 3992.1685 20662.0578 14402.3427 245.6714 -203335.7499 2782.4834 0.0000 0.0000 51901.8612 -109349.1648 298.2807 -161251.0261 -108993.9286 299.3742 17.6002 42.8220 762330.1548 -3.9125 -4.0865 PRESSURE: 3033800 -58.6816 -99.1169 29.2031 -99.117 -210.124 144.412 29.2028 144.411 106.063 GPRESSURE: 3033800 -65.2647 -41.3792 -18.2341 -111.69 -162.876 142.846 5.19252 40.1352 138.398 PRESSAVG: 3033800 -27.763 -39.1056 -13.0686 -39.1057 28.3238 5.05107 -13.0686 5.05114 -11.0995 GPRESSAVG: 3033800 -28.2718 -39.1316 -11.7618 -36.9325 29.5802 4.55312 -16.6886 3.5169 -12.0789 TIMING: 3033800 CPU: 9581.49, 0.00316128/step Wall: 9581.49, 0.00316128/step, 1.72659 hours remaining, 234.812500 MB of memory in use. ENERGY: 3033800 4054.1737 20558.1829 14355.7696 240.7936 -202810.4039 2298.4771 0.0000 0.0000 51991.8601 -109311.1468 298.7979 -161303.0068 -108946.3592 299.2428 -54.2476 -29.9140 762336.7496 -3.5129 -3.5901 PRESSURE: 3034000 -547.463 73.4191 -238.669 73.4196 -214.4 45.803 -238.669 45.8037 -45.9322 GPRESSURE: 3034000 -471.812 34.8181 -176.033 -6.49744 -242.516 30.9114 -129.866 39.6435 -7.58245 PRESSAVG: 3034000 18.4037 -58.8568 -35.781 -58.8568 -9.40091 -16.3539 -35.781 -16.3539 34.352 GPRESSAVG: 3034000 19.1011 -59.9071 -37.9424 -60.2051 -10.1056 -15.562 -31.9149 -16.5523 34.0029 TIMING: 3034000 CPU: 9582.13, 0.00316364/step Wall: 9582.13, 0.00316364/step, 1.7277 hours remaining, 234.812500 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: 3034000 3924.0960 20506.1713 14523.7786 230.2072 -202847.7092 2276.3755 0.0000 0.0000 51952.8268 -109434.2539 298.5736 -161387.0807 -109071.2721 299.6148 -269.2649 -240.6366 762327.2924 14.4516 14.3328 PRESSURE: 3034200 -374.239 -150.874 77.8407 -150.875 -231.881 -107.304 77.8409 -107.303 -6.12743 GPRESSURE: 3034200 -325.002 -206.784 119.626 -33.547 -217.234 -67.7878 -6.01997 -21.7516 -5.63727 PRESSAVG: 3034200 2.49524 -59.6023 -19.4662 -59.6022 -36.3115 25.8763 -19.4662 25.8764 -27.7224 GPRESSAVG: 3034200 0.985688 -60.6472 -16.9313 -57.3681 -35.4339 25.1356 -21.6048 26.8968 -27.5514 TIMING: 3034200 CPU: 9582.76, 0.00316404/step Wall: 9582.76, 0.00316404/step, 1.72774 hours remaining, 234.812500 MB of memory in use. ENERGY: 3034200 3976.4507 20768.4979 14406.2687 252.3250 -203340.3346 2653.1884 0.0000 0.0000 51865.8353 -109417.7686 298.0737 -161283.6039 -109064.1490 299.1480 -204.0825 -182.6242 763348.6150 -20.5129 -20.6665 PRESSURE: 3034400 -94.5293 -191.358 57.9798 -191.357 -208.065 0.668667 57.98 0.669865 321.947 GPRESSURE: 3034400 -72.8167 -139.373 50.9032 -270.496 -185.259 46.9974 37.4911 21.6343 351.042 PRESSAVG: 3034400 47.2214 -117.794 -3.80157 -117.794 -44.8146 14.657 -3.80158 14.657 18.1086 GPRESSAVG: 3034400 48.4562 -115.817 -5.87066 -120.912 -46.1876 15.7736 -3.22477 15.736 18.3474 TIMING: 3034400 CPU: 9583.39, 0.00316981/step Wall: 9583.39, 0.00316981/step, 1.73072 hours remaining, 234.812500 MB of memory in use. ENERGY: 3034400 4012.7736 20735.7768 14364.1093 250.2604 -203183.5856 2539.6563 0.0000 0.0000 51809.1079 -109471.9013 297.7477 -161281.0092 -109109.3187 299.3037 6.4511 30.9887 761693.6391 6.8385 6.8720 PRESSURE: 3034600 -116.338 -235.364 -50.7668 -235.365 172.005 -49.3244 -50.7668 -49.3249 359.975 GPRESSURE: 3034600 -30.7135 -193.112 -44.6968 -287.734 207.967 -107.963 34.2686 31.8324 311.916 PRESSAVG: 3034600 -22.84 -63.8042 1.14181 -63.8042 1.74902 -35.054 1.1418 -35.0541 -5.04894 GPRESSAVG: 3034600 -22.4113 -63.2722 2.28102 -62.3826 1.02414 -36.2476 -0.0916251 -35.8697 -4.80499 TIMING: 3034600 CPU: 9584.02, 0.00313581/step Wall: 9584.02, 0.00313581/step, 1.71198 hours remaining, 234.812500 MB of memory in use. ENERGY: 3034600 3944.9089 20713.0358 14471.4603 229.9383 -203034.2333 2258.0723 0.0000 0.0000 52065.3741 -109351.4436 299.2204 -161416.8177 -108990.7359 298.8824 138.5476 163.0565 759110.5171 -8.7133 -8.7307 PRESSURE: 3034800 -411.541 102.57 27.8857 102.571 -252.576 40.111 27.8863 40.111 -50.4692 GPRESSURE: 3034800 -350.33 125.469 38.8586 18.1475 -180.601 -5.75904 38.8299 83.5342 -104.732 PRESSAVG: 3034800 52.761 -53.6229 -5.12082 -53.623 -20.439 -24.9005 -5.12081 -24.9004 12.8003 GPRESSAVG: 3034800 52.9301 -54.865 -5.92308 -54.387 -20.2194 -24.2282 -4.27883 -26.7398 12.2635 TIMING: 3034800 CPU: 9584.65, 0.00315855/step Wall: 9584.65, 0.00315855/step, 1.72422 hours remaining, 234.812500 MB of memory in use. ENERGY: 3034800 3985.8215 20825.6427 14412.5740 258.3081 -203172.1132 2485.2289 0.0000 0.0000 52045.3174 -109159.2206 299.1052 -161204.5380 -108799.6919 299.6669 -238.1953 -211.8877 760150.2701 15.0408 14.9914 PRESSURE: 3035000 222.779 25.4848 -255.131 25.4854 132.514 -24.0421 -255.13 -24.0425 -154.09 GPRESSURE: 3035000 178.766 -54.128 -214.494 57.3627 107.198 -69.1284 -228.142 98.2817 2.71208 PRESSAVG: 3035000 -0.622122 -3.71862 -14.2468 -3.71865 28.2409 -6.41215 -14.2468 -6.41214 -15.8184 GPRESSAVG: 3035000 -2.56658 -2.47793 -13.0179 -3.20087 28.0611 -7.17292 -15.4056 -2.93274 -14.1928 TIMING: 3035000 CPU: 9585.29, 0.00317378/step Wall: 9585.29, 0.00317378/step, 1.73236 hours remaining, 234.812500 MB of memory in use. ENERGY: 3035000 4031.8056 20575.4969 14421.7657 251.9787 -203183.9170 2412.3923 0.0000 0.0000 52082.1734 -109408.3045 299.3170 -161490.4778 -109044.6414 299.6407 67.0677 96.2253 760013.4612 3.9334 3.7673 PRESSURE: 3035200 180.86 -22.7316 135.807 -22.7312 135.254 76.9649 135.808 76.9651 122.431 GPRESSURE: 3035200 183.426 -22.6233 158.864 -11.4523 171.675 78.3388 147.721 68.7781 169.482 PRESSAVG: 3035200 1.85467 -21.4325 -11.0096 -21.4324 -13.7591 8.58532 -11.0095 8.58533 18.8452 GPRESSAVG: 3035200 1.96141 -22.5575 -10.1705 -19.9812 -12.9066 7.53771 -9.93153 7.71192 18.0557 TIMING: 3035200 CPU: 9585.92, 0.00315581/step Wall: 9585.92, 0.00315581/step, 1.72237 hours remaining, 234.812500 MB of memory in use. ENERGY: 3035200 4029.3358 20584.4539 14420.8276 244.1838 -202952.2893 2501.2036 0.0000 0.0000 51703.6305 -109468.6541 297.1415 -161172.2846 -109116.4320 299.2864 146.1816 174.8612 760364.1417 2.3136 2.3702 PRESSURE: 3035400 -420.415 38.6836 -169.423 38.6843 -290.588 -103.337 -169.423 -103.336 226.289 GPRESSURE: 3035400 -351.059 0.159604 -164.003 126.967 -286.707 15.6421 -252.764 -203.571 204.792 PRESSAVG: 3035400 -9.535 13.4872 5.50572 13.4871 -21.4319 -4.87361 5.5057 -4.87364 7.06384 GPRESSAVG: 3035400 -8.70328 14.5396 5.31868 11.2182 -23.3571 -2.74505 5.24714 -7.61868 8.23237 TIMING: 3035400 CPU: 9586.55, 0.00316035/step Wall: 9586.55, 0.00316035/step, 1.72468 hours remaining, 234.812500 MB of memory in use. ENERGY: 3035400 4103.5994 20613.5983 14400.7281 257.0158 -203067.2551 2456.7970 0.0000 0.0000 51905.5084 -109330.0080 298.3017 -161235.5165 -108971.9356 299.2347 -161.5714 -144.3249 762200.1574 -7.9677 -7.9427 PRESSURE: 3035600 -388.947 59.9813 12.3715 59.981 -72.7567 55.5744 12.3708 55.5747 -357.712 GPRESSURE: 3035600 -359.743 59.2149 -56.6401 35.0649 -107.929 41.7789 30.6387 22.7438 -249.371 PRESSAVG: 3035600 -6.29386 -24.8383 -48.9806 -24.8383 -16.4382 -47.9193 -48.9806 -47.9193 15.8513 GPRESSAVG: 3035600 -5.69547 -25.0384 -51.2127 -23.4886 -15.3829 -46.2977 -48.9291 -47.9733 15.2516 TIMING: 3035600 CPU: 9587.18, 0.0031616/step Wall: 9587.18, 0.0031616/step, 1.72518 hours remaining, 234.812500 MB of memory in use. ENERGY: 3035600 4001.6689 20353.8184 14412.9992 256.9635 -203581.7083 2608.1973 0.0000 0.0000 52436.8931 -109511.1678 301.3555 -161948.0610 -109129.9464 298.8083 -273.1385 -239.0142 761263.3609 -2.2936 -1.9423 PRESSURE: 3035800 42.2214 -21.8901 76.8511 -21.8897 -490.407 -160.061 76.8507 -160.061 330.046 GPRESSURE: 3035800 95.3397 -76.0772 73.1152 -24.0561 -379.314 -154.762 46.95 -107.062 262.26 PRESSAVG: 3035800 6.73327 -43.5383 -6.61944 -43.5384 -52.2812 -3.32603 -6.61944 -3.32604 -21.2688 GPRESSAVG: 3035800 6.1337 -42.8597 -4.66784 -44.9864 -51.661 -5.01611 -6.19547 -1.86151 -21.1024 TIMING: 3035800 CPU: 9587.82, 0.00316304/step Wall: 9587.82, 0.00316304/step, 1.72579 hours remaining, 234.812500 MB of memory in use. ENERGY: 3035800 3925.6713 20684.1902 14373.0231 249.1316 -203141.7864 2355.5401 0.0000 0.0000 52024.2573 -109529.9728 298.9841 -161554.2300 -109164.5307 299.1108 -39.3800 -7.2383 760737.0273 -22.2723 -22.2099 PRESSURE: 3036000 454.047 -94.1985 -46.595 -94.1989 2.09507 38.6211 -46.5956 38.6215 269.185 GPRESSURE: 3036000 445.337 -27.1275 -192.364 -110.711 82.7348 -42.2274 70.081 205.825 289.139 PRESSAVG: 3036000 64.7982 -6.13708 42.0609 -6.13707 -2.10914 -58.5135 42.0609 -58.5135 29.2845 GPRESSAVG: 3036000 65.0726 -7.22603 42.0536 -8.37522 -2.24001 -58.6177 40.7857 -58.3105 29.2825 TIMING: 3036000 CPU: 9588.45, 0.00315452/step Wall: 9588.45, 0.00315452/step, 1.72097 hours remaining, 234.812500 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: 3036000 4060.3582 20542.1063 14421.1209 224.2388 -203249.6136 2694.7777 0.0000 0.0000 51861.6487 -109445.3630 298.0496 -161307.0117 -109086.8895 299.0306 241.7754 272.4036 760943.2944 30.6579 30.7050 PRESSURE: 3036200 -92.7256 157.319 41.191 157.319 166.264 344.743 41.1917 344.743 -81.1417 GPRESSURE: 3036200 38.4241 200.019 -9.30774 126.821 106.964 327.623 -145.841 172.483 -60.5018 PRESSAVG: 3036200 -17.138 -26.4662 48.0289 -26.4661 47.0241 -33.2199 48.0288 -33.2199 -13.3061 GPRESSAVG: 3036200 -17.033 -25.6398 49.1541 -25.0817 47.6771 -34.7172 47.8383 -32.3115 -14.5565 TIMING: 3036200 CPU: 9589.08, 0.00316676/step Wall: 9589.08, 0.00316676/step, 1.72747 hours remaining, 234.812500 MB of memory in use. ENERGY: 3036200 4011.0132 20449.9324 14362.9548 228.9437 -203475.0057 2735.6323 0.0000 0.0000 52071.5078 -109615.0215 299.2557 -161686.5293 -109253.2593 298.5103 -2.5343 28.2953 760046.2938 5.5267 5.3626 LDB: ============= START OF LOAD BALANCING ============== 9601.61 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9601.61 LDB: =============== DONE WITH MIGRATION ================ 9601.62 LDB: ============= START OF LOAD BALANCING ============== 9601.93 LDB: Largest compute 7060 load 0.031937 is 16.3% of average load 0.195637 LDB: Average compute 0.004370 is 2.2% of average load 0.195637 LDB: TIME 9601.94 LOAD: AVG 0.195637 MAX 0.216 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.234 MB LDB: TIME 9601.94 LOAD: AVG 0.195637 MAX 0.216 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.234 MB LDB: TIME 9601.94 LOAD: AVG 0.195637 MAX 0.216 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.234 MB LDB: ============== END OF LOAD BALANCING =============== 9601.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9601.94 PRESSURE: 3036400 170.583 -16.4782 -16.7369 -16.4783 85.6413 -162.72 -16.7366 -162.719 -188.476 GPRESSURE: 3036400 208.755 -24.6256 64.2468 33.4745 135.885 -179.723 -13.2486 -228.903 -169.13 PRESSAVG: 3036400 -14.7428 20.5513 -12.9021 20.5512 21.6793 40.3296 -12.9021 40.3297 16.5071 GPRESSAVG: 3036400 -14.1721 18.5714 -14.4387 21.755 20.1538 42.1354 -13.1386 36.5438 17.3314 TIMING: 3036400 CPU: 9589.73, 0.00324282/step Wall: 9589.73, 0.00324282/step, 1.76878 hours remaining, 236.546875 MB of memory in use. ENERGY: 3036400 3930.4521 20306.6397 14385.9541 257.6348 -203172.5033 2637.1300 0.0000 0.0000 51966.6459 -109688.0467 298.6530 -161654.6926 -109323.1398 298.6372 22.5828 58.5034 761667.4189 7.8145 7.7710 PRESSURE: 3036600 -259.622 81.6982 -40.5216 81.6982 -32.8875 175.995 -40.5216 175.996 103.985 GPRESSURE: 3036600 -205.063 38.7453 12.9518 98.0026 93.3163 152.047 -162.691 269.555 26.4453 PRESSAVG: 3036600 8.97662 -2.77938 -11.1069 -2.77935 14.5815 28.7768 -11.1068 28.7769 -1.50136 GPRESSAVG: 3036600 8.50522 -2.99609 -11.6078 -2.57369 15.4687 26.6715 -8.87042 33.1084 -1.72212 TIMING: 3036600 CPU: 9590.36, 0.00315812/step Wall: 9590.36, 0.00315812/step, 1.7224 hours remaining, 236.546875 MB of memory in use. ENERGY: 3036600 3923.9889 20606.5272 14365.1583 237.0306 -203295.1692 2505.1865 0.0000 0.0000 52108.5442 -109548.7334 299.4685 -161657.2776 -109185.4294 298.4827 -62.8414 -28.4340 761424.4399 7.3522 7.4173 PRESSURE: 3036800 -293.588 -22.1301 -86.4853 -22.1294 -149.198 -164.975 -86.4861 -164.974 -132.501 GPRESSURE: 3036800 -198.692 18.9346 -123.376 -0.419523 -216.518 -171.64 -28.7111 -162.928 -110.343 PRESSAVG: 3036800 -95.9578 -52.6262 4.91596 -52.6262 5.21542 -5.65704 4.91594 -5.65702 20.961 GPRESSAVG: 3036800 -96.5491 -50.4791 4.67738 -53.2751 5.13342 -3.8349 3.98054 -7.91888 21.93 TIMING: 3036800 CPU: 9590.99, 0.0031604/step Wall: 9590.99, 0.0031604/step, 1.72347 hours remaining, 236.546875 MB of memory in use. ENERGY: 3036800 4023.9293 20601.5335 14423.3473 249.0412 -202885.8356 2362.2789 0.0000 0.0000 51778.4507 -109447.2547 297.5715 -161225.7054 -109093.1067 298.9342 -191.7626 -175.1843 763800.4712 -23.2604 -23.1619 PRESSURE: 3037000 -219.867 -98.5751 125.582 -98.5746 142.37 -162.866 125.58 -162.868 -94.6389 GPRESSURE: 3037000 -206.904 -28.8875 122.584 -50.451 221.947 -147.779 169.19 -75.3394 -110.761 PRESSAVG: 3037000 -20.8561 -55.1507 31.2256 -55.1507 1.50072 -19.7412 31.2256 -19.7412 4.41135 GPRESSAVG: 3037000 -21.6976 -54.5867 31.7834 -55.3009 2.19456 -20.6854 32.7312 -19.8951 4.36426 TIMING: 3037000 CPU: 9591.62, 0.0031657/step Wall: 9591.62, 0.0031657/step, 1.72619 hours remaining, 236.546875 MB of memory in use. ENERGY: 3037000 4000.4417 20600.3382 14398.1621 233.5816 -202938.9977 2399.6424 0.0000 0.0000 51832.5962 -109474.2355 297.8826 -161306.8317 -109120.6113 298.2803 -57.3786 -31.9060 761240.4810 -4.9813 -5.0463 PRESSURE: 3037200 -336.562 27.4311 -107.587 27.4318 -52.4489 40.5887 -107.588 40.5884 -230.289 GPRESSURE: 3037200 -177.511 -40.527 -145.781 83.6797 -116.116 73.6319 -52.6176 89.4617 -267.604 PRESSAVG: 3037200 7.04612 -60.8871 49.7237 -60.8871 -13.4966 20.4534 49.7237 20.4533 2.69232 GPRESSAVG: 3037200 7.64612 -63.5081 49.1512 -60.7251 -14.0344 19.6898 49.7692 22.25 2.54369 TIMING: 3037200 CPU: 9592.26, 0.0031627/step Wall: 9592.26, 0.0031627/step, 1.72437 hours remaining, 236.546875 MB of memory in use. ENERGY: 3037200 3945.3916 20725.5894 14398.8196 260.1956 -203217.0579 2362.7116 0.0000 0.0000 51788.8483 -109735.5018 297.6312 -161524.3501 -109376.2966 298.3315 -206.4335 -187.0770 761358.7936 -1.2527 -1.2815 PRESSURE: 3037400 106.609 24.1654 -130.916 24.1655 8.45812 150.122 -130.916 150.121 109.531 GPRESSURE: 3037400 185.359 78.0804 -95.8053 41.883 23.6852 87.9722 1.18586 101.474 118.479 PRESSAVG: 3037400 17.9459 -9.94366 -15.6076 -9.94359 -25.2037 -18.3442 -15.6076 -18.3442 32.1411 GPRESSAVG: 3037400 19.1322 -8.66668 -14.7103 -8.90512 -26.3047 -16.9102 -14.3002 -20.1634 31.9495 TIMING: 3037400 CPU: 9592.89, 0.00316205/step Wall: 9592.89, 0.00316205/step, 1.72384 hours remaining, 236.546875 MB of memory in use. ENERGY: 3037400 3942.2657 20632.1045 14425.8250 264.7131 -203529.2528 2736.1157 0.0000 0.0000 51811.5650 -109716.6638 297.7618 -161528.2288 -109359.2500 297.9884 74.8659 109.1744 760934.8257 8.2945 8.2590 PRESSURE: 3037600 -96.2375 -131.708 69.4237 -131.708 -66.5317 92.2643 69.4241 92.2647 180.708 GPRESSURE: 3037600 -49.0421 -100.126 106.17 -210.785 35.7354 -27.2037 96.4164 11.4056 129.727 PRESSAVG: 3037600 40.9063 -32.1437 27.4615 -32.1436 -31.9922 -22.3443 27.4615 -22.3444 -1.40007 GPRESSAVG: 3037600 39.8607 -31.8884 28.2711 -32.8468 -30.7315 -24.1878 25.1455 -22.7025 -1.74872 TIMING: 3037600 CPU: 9593.52, 0.00316974/step Wall: 9593.52, 0.00316974/step, 1.72786 hours remaining, 236.617188 MB of memory in use. ENERGY: 3037600 3899.5710 20503.4093 14393.2683 227.5197 -202928.9095 2390.0453 0.0000 0.0000 51986.9243 -109528.1717 298.7696 -161515.0960 -109157.7888 298.6380 5.9796 38.8068 762741.6581 2.5047 2.4602 PRESSURE: 3037800 -49.2306 45.8329 -134.638 45.8328 -84.6108 33.7888 -134.639 33.7898 154.019 GPRESSURE: 3037800 -126.512 13.8371 -171.025 129.557 118.241 117.777 -24.946 -47.1758 117.647 PRESSAVG: 3037800 10.5516 1.87333 6.45182 1.87334 -25.075 -17.2844 6.45178 -17.2843 4.47362 GPRESSAVG: 3037800 9.68754 1.66456 5.54513 -0.560373 -23.7219 -16.3221 4.95661 -16.7317 4.23081 TIMING: 3037800 CPU: 9594.15, 0.00315696/step Wall: 9594.15, 0.00315696/step, 1.72072 hours remaining, 236.617188 MB of memory in use. ENERGY: 3037800 3972.9599 20472.3330 14483.2855 258.3596 -203559.5774 2624.6752 0.0000 0.0000 52161.0039 -109586.9603 299.7700 -161747.9642 -109224.0859 298.7536 6.7260 36.4586 761808.9640 -3.3499 -3.2679 PRESSURE: 3038000 132.263 81.5741 -84.5145 81.5733 -140.394 -65.5487 -84.5141 -65.5483 223.995 GPRESSURE: 3038000 85.604 -134.106 -36.8696 40.3725 -42.9933 -42.9691 -16.5233 -115.895 259.34 PRESSAVG: 3038000 18.2239 40.0347 -19.1264 40.0348 -30.3528 -11.5206 -19.1264 -11.5206 -2.88918 GPRESSAVG: 3038000 18.9444 39.8924 -18.6605 39.8292 -31.8972 -14.1511 -19.6972 -10.4727 -1.59732 TIMING: 3038000 CPU: 9594.79, 0.00315786/step Wall: 9594.79, 0.00315786/step, 1.72103 hours remaining, 236.617188 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: 3038000 3898.9672 20572.1903 14418.4254 259.6305 -203094.6111 2296.4150 0.0000 0.0000 52053.0425 -109595.9402 299.1496 -161648.9827 -109231.5007 298.9695 71.9547 100.6502 762810.9714 -5.0060 -4.8500 PRESSURE: 3038200 -178.798 -225.68 126.494 -225.679 -4.88488 -133.027 126.493 -133.028 -253.745 GPRESSURE: 3038200 -86.7288 -219.575 114.409 -89.1472 -5.76546 30.1829 76.1008 -166.633 -247.009 PRESSAVG: 3038200 -19.1785 -46.8744 17.4659 -46.8744 32.0122 -37.1204 17.4658 -37.1204 2.17539 GPRESSAVG: 3038200 -17.6368 -46.3812 17.1069 -44.1986 31.7692 -33.3879 18.0726 -38.29 1.10219 TIMING: 3038200 CPU: 9595.42, 0.00318322/step Wall: 9595.42, 0.00318322/step, 1.73468 hours remaining, 236.617188 MB of memory in use. ENERGY: 3038200 4011.4933 20691.0109 14406.9431 230.3833 -203330.5195 2426.3728 0.0000 0.0000 51904.2374 -109660.0787 298.2944 -161564.3161 -109301.1698 298.6841 -145.8093 -113.1677 762217.0789 5.0030 5.0782 PRESSURE: 3038400 127.417 -88.8867 -37.0455 -88.8866 133.353 234.467 -37.0455 234.468 190.015 GPRESSURE: 3038400 186.275 -4.69133 -61.7104 -54.9763 142.232 250.978 23.5509 171.597 227.992 PRESSAVG: 3038400 23.1672 -3.87548 24.1973 -3.87545 -10.7872 -12.5347 24.1973 -12.5348 -8.49586 GPRESSAVG: 3038400 22.9853 -5.04576 23.4198 -2.94032 -11.2068 -13.7304 24.3824 -11.5598 -7.57764 TIMING: 3038400 CPU: 9596.06, 0.00317972/step Wall: 9596.06, 0.00317972/step, 1.73259 hours remaining, 236.617188 MB of memory in use. ENERGY: 3038400 3944.5607 20644.4334 14486.5895 241.6019 -203147.0065 2423.7693 0.0000 0.0000 52114.2761 -109291.7757 299.5015 -161406.0518 -108926.4798 299.3440 150.2617 185.4996 758922.1329 1.2947 1.4003 PRESSURE: 3038600 36.1596 -44.2083 -74.5707 -44.2085 91.5548 -353.132 -74.5707 -353.132 156.281 GPRESSURE: 3038600 91.8057 -2.44994 -13.4816 -94.7136 175.801 -358.362 -152.876 -160.409 85.3982 PRESSAVG: 3038600 -14.8306 21.247 -0.576313 21.2469 -4.4644 -12.1667 -0.576232 -12.1668 -19.4786 GPRESSAVG: 3038600 -16.3618 22.8871 1.51181 19.1551 -2.66456 -11.3743 0.996763 -12.1893 -19.631 TIMING: 3038600 CPU: 9596.69, 0.00317634/step Wall: 9596.69, 0.00317634/step, 1.73058 hours remaining, 236.617188 MB of memory in use. ENERGY: 3038600 3965.8206 20506.8676 14428.6061 229.9014 -203310.1384 2753.3895 0.0000 0.0000 51969.7051 -109455.8482 298.6706 -161425.5533 -109102.3446 299.2806 94.6653 117.6682 760366.0981 -12.9245 -12.8858 PRESSURE: 3038800 61.7426 44.5572 -97.3831 44.557 -176.64 -310.044 -97.3821 -310.044 -65.0984 GPRESSURE: 3038800 138.136 127.13 -68.9064 -21.8588 -126.368 -312.219 -43.1603 -355.196 -96.6046 PRESSAVG: 3038800 41.2419 30.3245 42.3435 30.3245 -23.4195 -34.376 42.3435 -34.3759 -13.5917 GPRESSAVG: 3038800 41.7472 29.9461 41.0905 30.0445 -23.8114 -35.7915 42.9812 -34.5715 -14.2335 TIMING: 3038800 CPU: 9597.33, 0.00316563/step Wall: 9597.33, 0.00316563/step, 1.72457 hours remaining, 236.617188 MB of memory in use. ENERGY: 3038800 4020.8413 20547.1093 14417.1728 236.8369 -203146.7853 2507.8463 0.0000 0.0000 51934.7016 -109482.2772 298.4694 -161416.9788 -109115.5969 298.8392 -59.9986 -28.2789 762076.1170 1.4102 1.2341 PRESSURE: 3039000 -142.328 -102.458 9.13123 -102.457 217.458 -62.9239 9.13159 -62.9236 115.679 GPRESSURE: 3039000 -57.3186 -68.158 -45.3503 89.2699 250.502 -13.5411 125.981 -29.4324 94.472 PRESSAVG: 3039000 -9.77983 -35.0949 -9.23797 -35.0949 22.2657 -62.4329 -9.23796 -62.4329 2.03272 GPRESSAVG: 3039000 -9.72065 -35.5233 -9.43974 -33.6274 23.3003 -62.7518 -10.4601 -61.859 1.11463 TIMING: 3039000 CPU: 9597.96, 0.00316035/step Wall: 9597.96, 0.00316035/step, 1.72152 hours remaining, 236.617188 MB of memory in use. ENERGY: 3039000 3913.1116 20536.0274 14460.1171 235.9051 -203024.0808 2298.2314 0.0000 0.0000 51987.6144 -109593.0738 298.7735 -161580.6882 -109231.7918 298.6222 63.6031 95.8850 761918.8362 4.8395 4.8981 PRESSURE: 3039200 -78.836 275.15 -179.595 275.149 -79.4711 69.404 -179.594 69.4038 -35.9559 GPRESSURE: 3039200 11.4275 166.36 -143.252 181.254 -36.901 90.5587 -128.247 154.269 -84.9821 PRESSAVG: 3039200 -0.859592 -32.2314 -46.1529 -32.2314 -11.8358 -11.0732 -46.1529 -11.0732 -24.862 GPRESSAVG: 3039200 0.162414 -31.2832 -45.4151 -33.3724 -12.5122 -11.1916 -45.7456 -11.477 -24.9171 TIMING: 3039200 CPU: 9598.59, 0.00316755/step Wall: 9598.59, 0.00316755/step, 1.72526 hours remaining, 236.617188 MB of memory in use. ENERGY: 3039200 4057.5412 20491.9038 14400.2137 227.9958 -202938.7532 2428.4053 0.0000 0.0000 51770.8576 -109561.8358 297.5278 -161332.6934 -109195.0307 298.7579 -64.7543 -36.8185 762536.6145 -12.5191 -12.4223 PRESSURE: 3039400 30.0203 -37.6589 -68.8056 -37.6591 -55.8211 -279.584 -68.8037 -279.584 -69.3952 GPRESSURE: 3039400 158.345 57.9595 -38.0473 40.4094 -108.692 -209.006 -87.3843 -254.453 -63.6981 PRESSAVG: 3039400 -3.28751 -29.0314 16.1925 -29.0314 16.9155 -39.6124 16.1926 -39.6124 -0.849221 GPRESSAVG: 3039400 -4.08357 -29.9388 14.4752 -27.7984 16.2503 -39.3491 16.2764 -36.4279 0.974726 TIMING: 3039400 CPU: 9599.23, 0.00316189/step Wall: 9599.23, 0.00316189/step, 1.722 hours remaining, 236.617188 MB of memory in use. ENERGY: 3039400 3964.4108 20544.3105 14509.5464 253.2235 -203290.5239 2570.5013 0.0000 0.0000 51960.6768 -109487.8546 298.6187 -161448.5314 -109122.4305 298.7749 -31.7320 -4.6817 760481.0887 4.2596 4.3805 PRESSURE: 3039600 -206.762 22.6537 -21.4662 22.654 265.679 -66.8846 -21.4662 -66.8843 65.844 GPRESSURE: 3039600 -174.013 3.86278 -119.927 -78.6896 240.777 -51.3145 14.2898 -120.234 145.466 PRESSAVG: 3039600 -16.8432 -25.4323 17.1137 -25.4323 14.3537 -21.4889 17.1138 -21.489 8.27505 GPRESSAVG: 3039600 -16.5446 -25.044 18.7249 -26.632 14.2391 -20.3728 16.6104 -23.4359 8.3525 TIMING: 3039600 CPU: 9599.86, 0.00315752/step Wall: 9599.86, 0.00315752/step, 1.71945 hours remaining, 236.640625 MB of memory in use. ENERGY: 3039600 4003.2807 20378.0507 14433.2729 264.9812 -203584.9995 2581.9831 0.0000 0.0000 52111.6879 -109811.7430 299.4866 -161923.4309 -109452.7097 298.9036 41.5870 70.7435 759667.4546 1.9285 2.0157 PRESSURE: 3039800 -298.556 43.7197 82.4947 43.7192 122.026 194.755 82.4944 194.753 174.967 GPRESSURE: 3039800 -163.909 136.956 18.6168 125.221 82.2879 239.355 28.6497 144.558 178.026 PRESSAVG: 3039800 -2.11665 -2.35931 31.6632 -2.3593 34.1329 -33.2121 31.6632 -33.2121 2.01264 GPRESSAVG: 3039800 -1.26684 -4.71468 29.8948 -2.6771 34.7614 -33.0984 33.0676 -33.8028 1.20169 TIMING: 3039800 CPU: 9600.49, 0.00316251/step Wall: 9600.49, 0.00316251/step, 1.72199 hours remaining, 236.640625 MB of memory in use. ENERGY: 3039800 4003.3498 20606.9212 14433.5374 230.2055 -203270.6193 2342.5170 0.0000 0.0000 51744.1648 -109909.9236 297.3744 -161654.0884 -109554.6398 298.5584 -0.5207 32.1349 757404.8528 11.3430 11.5654 PRESSURE: 3040000 -506.088 -33.5822 -11.4711 -33.5829 -285.892 36.1785 -11.4706 36.1788 -92.3402 GPRESSURE: 3040000 -434.301 71.8129 -32.5084 25.9054 -217.367 26.74 -156.688 14.1346 -140.252 PRESSAVG: 3040000 -13.2181 -52.7597 13.9486 -52.7596 34.4823 -32.957 13.9485 -32.957 -10.1712 GPRESSAVG: 3040000 -12.9123 -50.1887 14.1532 -51.433 32.8496 -33.4382 12.6368 -33.7004 -9.14033 TIMING: 3040000 CPU: 9601.12, 0.00316148/step Wall: 9601.12, 0.00316148/step, 1.72125 hours remaining, 236.640625 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: 3040000 4005.8841 20506.3651 14347.2569 241.8497 -203435.8814 2544.9836 0.0000 0.0000 51832.4404 -109957.1016 297.8817 -161789.5419 -109596.3735 298.4485 -294.7734 -263.9733 761114.9721 3.6977 3.5990 PRESSURE: 3040200 -73.4764 23.5147 33.2636 23.5138 364.123 56.2428 33.264 56.2438 98.954 GPRESSURE: 3040200 -28.3672 -166.53 78.2279 112.706 376.196 72.2143 7.20277 -82.4675 118.87 PRESSAVG: 3040200 26.5355 -18.2074 26.9996 -18.2074 -48.1845 -10.8281 26.9996 -10.8281 -5.47679 GPRESSAVG: 3040200 25.0152 -19.2993 27.5417 -18.945 -46.5662 -11.5103 26.0543 -9.52694 -5.97621 TIMING: 3040200 CPU: 9601.76, 0.00317274/step Wall: 9601.76, 0.00317273/step, 1.7272 hours remaining, 236.640625 MB of memory in use. ENERGY: 3040200 3888.3570 20457.9223 14374.0988 238.7812 -203719.4520 3054.6732 0.0000 0.0000 51596.5358 -110109.0835 296.5260 -161705.6193 -109752.0449 297.7343 129.8669 155.5665 762153.9459 -9.0419 -9.1757 LDB: ============= START OF LOAD BALANCING ============== 9614.29 LDB: ============== END OF LOAD BALANCING =============== 9614.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9614.29 LDB: ============= START OF LOAD BALANCING ============== 9614.61 LDB: Largest compute 7076 load 0.032848 is 16.8% of average load 0.195598 LDB: Average compute 0.004371 is 2.2% of average load 0.195598 LDB: TIME 9614.61 LOAD: AVG 0.195598 MAX 0.217348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.109 MB LDB: TIME 9614.61 LOAD: AVG 0.195598 MAX 0.217348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 9614.61 LOAD: AVG 0.195598 MAX 0.217348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 9614.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9614.62 PRESSURE: 3040400 39.0919 4.14312 -113.058 4.14289 -291.378 -36.8871 -113.058 -36.8876 313.622 GPRESSURE: 3040400 45.7065 -34.0076 35.0348 82.7934 -261.828 -116.447 3.06796 81.9056 383.035 PRESSAVG: 3040400 7.12233 18.044 -31.0462 18.044 5.66129 -58.9865 -31.0463 -58.9865 4.2479 GPRESSAVG: 3040400 7.07371 18.514 -30.96 18.697 5.24069 -59.4381 -27.9125 -58.1953 4.4117 TIMING: 3040400 CPU: 9602.4, 0.00322481/step Wall: 9602.4, 0.00322481/step, 1.75537 hours remaining, 234.937500 MB of memory in use. ENERGY: 3040400 3967.7269 20404.4650 14412.1676 243.2576 -203211.4491 2414.1136 0.0000 0.0000 51735.6696 -110034.0488 297.3256 -161769.7184 -109679.1646 297.4516 20.4451 55.6380 762151.7877 5.6772 5.5754 PRESSURE: 3040600 -171.069 -190.155 58.1818 -190.156 -332.579 -117.119 58.1818 -117.12 60.1878 GPRESSURE: 3040600 -199.312 -161.597 26.2621 -81.8648 -261.329 -131.943 75.7864 -90.4566 109.188 PRESSAVG: 3040600 -14.6396 13.0703 3.73318 13.0703 20.0543 -82.0944 3.73319 -82.0944 -27.1036 GPRESSAVG: 3040600 -13.8728 13.5865 3.84377 12.5877 19.3006 -80.691 1.6692 -85.416 -27.3377 TIMING: 3040600 CPU: 9603.03, 0.00316272/step Wall: 9603.03, 0.00316272/step, 1.7214 hours remaining, 235.187500 MB of memory in use. ENERGY: 3040600 3959.9852 20576.1406 14314.3114 242.2767 -203210.3662 2441.6330 0.0000 0.0000 51564.6821 -110111.3372 296.3429 -161676.0193 -109749.4512 297.3591 -147.8202 -117.1511 761493.7051 -7.2296 -7.3033 PRESSURE: 3040800 65.0282 -246.764 184.861 -246.763 -133.475 -224.854 184.861 -224.855 124.92 GPRESSURE: 3040800 -10.3249 -45.6302 153.808 -169.502 14.0051 -252.542 23.8188 -127.85 130.823 PRESSAVG: 3040800 -58.1592 -53.1623 13.7663 -53.1623 9.90667 -46.1631 13.7664 -46.1631 -18.7947 GPRESSAVG: 3040800 -59.0871 -54.0577 13.0167 -52.9168 11.8036 -46.1379 11.638 -43.0555 -19.4944 TIMING: 3040800 CPU: 9603.67, 0.00318365/step Wall: 9603.67, 0.00318365/step, 1.73261 hours remaining, 235.187500 MB of memory in use. ENERGY: 3040800 4062.5796 20553.8680 14376.7506 217.8852 -203339.7248 2428.8281 0.0000 0.0000 51773.3041 -109926.5091 297.5419 -161699.8132 -109580.8355 297.7945 18.8245 44.8344 761307.6675 -22.3491 -22.2593 PRESSURE: 3041000 -300.596 -65.6712 143.262 -65.6704 40.5867 126.4 143.262 126.4 -19.1997 GPRESSURE: 3041000 -220.455 -31.5484 90.2774 -72.9679 -39.3894 115.623 41.2174 175.566 71.3991 PRESSAVG: 3041000 42.4208 -30.8949 14.8419 -30.8949 -17.7516 -18.1723 14.8419 -18.1723 10.1315 GPRESSAVG: 3041000 42.6935 -29.5829 16.911 -30.6112 -19.2379 -18.9177 16.0036 -18.3322 11.1947 TIMING: 3041000 CPU: 9604.31, 0.00317402/step Wall: 9604.31, 0.00317402/step, 1.7272 hours remaining, 235.187500 MB of memory in use. ENERGY: 3041000 3994.0592 20646.5050 14396.3764 247.2280 -203237.0397 2333.4943 0.0000 0.0000 51832.9580 -109786.4187 297.8847 -161619.3767 -109430.6805 297.9920 -93.0696 -62.8151 760001.3519 11.6002 11.5501 PRESSURE: 3041200 261.974 304.438 -11.9966 304.437 136.34 68.0913 -11.9963 68.092 93.9099 GPRESSURE: 3041200 325.202 232.601 50.8101 186.644 73.5315 83.6699 -36.5803 -18.7438 153.79 PRESSAVG: 3041200 -23.0574 -44.1913 -42.9668 -44.1913 18.9293 -5.32608 -42.9668 -5.32603 -5.10371 GPRESSAVG: 3041200 -22.7188 -45.2475 -45.06 -44.4125 18.8382 -5.33937 -42.0946 -6.29672 -6.07762 TIMING: 3041200 CPU: 9604.94, 0.0031626/step Wall: 9604.94, 0.0031626/step, 1.72081 hours remaining, 235.187500 MB of memory in use. ENERGY: 3041200 3962.3612 20589.6619 14506.1962 267.8723 -203634.0917 2676.8315 0.0000 0.0000 51821.8524 -109809.3162 297.8209 -161631.1685 -109449.2056 298.7570 164.0746 184.1744 760137.8766 -3.0773 -3.3194 PRESSURE: 3041400 30.0714 -70.5142 -113.934 -70.5147 -3.00371 -19.6981 -113.934 -19.6984 -165.681 GPRESSURE: 3041400 121.942 -55.7667 -121.533 -105.082 -26.2443 -11.176 -175.83 112.756 -142.31 PRESSAVG: 3041400 17.5895 -12.9787 -54.6946 -12.9788 3.8564 -0.304988 -54.6945 -0.304979 13.0763 GPRESSAVG: 3041400 18.4545 -12.9957 -53.226 -14.9568 3.10048 -1.41252 -56.0181 0.872067 13.5494 TIMING: 3041400 CPU: 9605.57, 0.00314246/step Wall: 9605.57, 0.00314246/step, 1.70967 hours remaining, 235.187500 MB of memory in use. ENERGY: 3041400 3908.6805 20457.7274 14468.1710 237.9676 -203350.7723 2676.4580 0.0000 0.0000 51808.2291 -109793.5387 297.7426 -161601.7678 -109422.7280 298.3800 -46.2044 -15.5376 760770.0719 11.5074 11.7015 PRESSURE: 3041600 -251.501 135.393 164.195 135.393 -35.3132 -131.608 164.195 -131.608 -388.219 GPRESSURE: 3041600 -221.914 149.743 237.564 68.8234 -13.936 -110.237 174.153 -78.3286 -352.52 PRESSAVG: 3041600 -0.363481 -6.62861 4.02753 -6.62858 19.908 -48.8224 4.02753 -48.8223 10.016 GPRESSAVG: 3041600 -1.59443 -5.91334 2.69825 -5.58377 20.1824 -48.536 3.95188 -48.6544 10.6297 TIMING: 3041600 CPU: 9606.2, 0.00315729/step Wall: 9606.2, 0.00315729/step, 1.71757 hours remaining, 235.187500 MB of memory in use. ENERGY: 3041600 4047.1485 20609.6758 14491.9011 248.6580 -203189.3413 2263.0324 0.0000 0.0000 51906.5272 -109622.3983 298.3075 -161528.9255 -109268.6439 299.1111 -225.0108 -196.1236 760936.1233 9.8535 9.7392 PRESSURE: 3041800 354.857 121.314 -156.45 121.315 409.064 -63.5059 -156.45 -63.5057 449.717 GPRESSURE: 3041800 321.651 14.1003 -160.749 45.6417 470.028 -30.1601 -174.081 -74.8283 530.34 PRESSAVG: 3041800 26.541 -46.1594 -75.9922 -46.1594 -36.511 -28.2487 -75.9923 -28.2486 -12.486 GPRESSAVG: 3041800 26.6418 -45.3982 -76.6264 -45.7987 -36.185 -27.0824 -74.7792 -30.0185 -12.9014 TIMING: 3041800 CPU: 9606.83, 0.00316474/step Wall: 9606.83, 0.00316474/step, 1.72144 hours remaining, 235.187500 MB of memory in use. ENERGY: 3041800 4026.4672 20418.4203 14416.6662 267.8228 -204166.5177 3066.7243 0.0000 0.0000 52578.9579 -109391.4589 302.1720 -161970.4168 -109023.5460 299.3122 404.5458 440.6734 758417.3954 -7.4853 -7.4816 PRESSURE: 3042000 -491.715 14.3877 -69.5522 14.3877 -74.7125 33.6102 -69.5526 33.6094 -243.88 GPRESSURE: 3042000 -425.919 69.957 -34.3642 -87.1314 -66.4635 63.6705 3.31494 39.422 -229.886 PRESSAVG: 3042000 -7.08125 -29.1565 -11.4754 -29.1565 23.5505 -60.6901 -11.4755 -60.6901 11.96 GPRESSAVG: 3042000 -7.04936 -29.2617 -10.161 -28.6801 24.1085 -59.8369 -11.3456 -60.5748 11.8593 TIMING: 3042000 CPU: 9607.46, 0.00315745/step Wall: 9607.46, 0.00315745/step, 1.7173 hours remaining, 235.187500 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: 3042000 4009.6419 20613.7960 14355.6337 255.1886 -203045.0443 2246.2599 0.0000 0.0000 52125.8955 -109438.6288 299.5682 -161564.5243 -109083.2254 299.9823 -270.1022 -240.7563 760103.5750 9.4764 9.6395 PRESSURE: 3042200 -172.643 -161.328 -98.2328 -161.327 -176.248 133.746 -98.2322 133.747 49.8852 GPRESSURE: 3042200 -66.4274 -190.504 -206.411 -64.428 -155.471 111.207 -18.3811 31.6143 4.89599 PRESSAVG: 3042200 -10.3789 -53.1237 -23.8838 -53.1238 27.1933 3.3831 -23.8837 3.38306 -3.39592 GPRESSAVG: 3042200 -9.12296 -53.5577 -23.1118 -53.1917 26.1739 2.92829 -26.7058 3.98012 -4.04937 TIMING: 3042200 CPU: 9608.09, 0.00316116/step Wall: 9608.09, 0.00316116/step, 1.71914 hours remaining, 235.187500 MB of memory in use. ENERGY: 3042200 4048.7815 20737.5279 14299.8411 244.3544 -203507.6862 2782.1060 0.0000 0.0000 52053.8216 -109341.2536 299.1540 -161395.0752 -108980.5303 299.4604 -99.6687 -72.3340 761389.2811 4.4728 4.3339 PRESSURE: 3042400 -452.807 -23.9367 -270.886 -23.9364 189.78 -103.831 -270.887 -103.831 -80.5122 GPRESSURE: 3042400 -381.265 3.77943 -241.397 -117.433 209.387 -93.7102 -202.218 16.7691 -88.8078 PRESSAVG: 3042400 -5.72201 -56.5049 -63.4969 -56.505 12.8603 -17.9134 -63.4969 -17.9134 -7.58973 GPRESSAVG: 3042400 -6.87335 -56.9091 -64.3269 -56.1 13.2361 -19.1609 -60.9538 -17.4154 -7.07599 TIMING: 3042400 CPU: 9608.72, 0.00313172/step Wall: 9608.72, 0.00313172/step, 1.70296 hours remaining, 235.187500 MB of memory in use. ENERGY: 3042400 4044.3123 20706.8328 14365.1562 234.1647 -203292.5625 2674.3125 0.0000 0.0000 51899.8664 -109367.9176 298.2692 -161267.7840 -109006.9554 299.6789 -114.5130 -86.8954 761736.4764 -0.1505 -0.2377 PRESSURE: 3042600 -44.3381 127.831 -12.6968 127.83 57.423 -217.535 -12.6965 -217.535 307.839 GPRESSURE: 3042600 -85.9022 124.005 25.8663 35.338 186.854 -189.242 -28.5979 -202.799 321.041 PRESSAVG: 3042600 10.7301 -23.4544 -29.8264 -23.4544 26.7153 11.8469 -29.8264 11.8469 48.1303 GPRESSAVG: 3042600 8.65089 -22.7555 -29.0486 -25.2233 28.5226 12.0616 -27.8386 10.7781 48.6758 TIMING: 3042600 CPU: 9609.35, 0.00314935/step Wall: 9609.35, 0.00314935/step, 1.71237 hours remaining, 235.437500 MB of memory in use. ENERGY: 3042600 4030.5777 20757.8381 14400.4860 240.9957 -203719.3206 2888.4638 0.0000 0.0000 51816.8880 -109584.0713 297.7924 -161400.9593 -109221.3909 299.8184 106.9747 140.6642 760484.8011 28.5253 28.6164 PRESSURE: 3042800 102.585 -185.741 -46.539 -185.741 95.2844 167.128 -46.5386 167.128 68.362 GPRESSURE: 3042800 118.148 -156.826 5.30524 -72.1805 120.62 121.643 -47.3226 306.18 97.7309 PRESSAVG: 3042800 -15.2619 6.11072 -12.8694 6.11068 43.2449 -3.91373 -12.8694 -3.91378 3.02488 GPRESSAVG: 3042800 -14.6011 5.01726 -13.9125 8.12262 43.1156 -4.47081 -15.4607 -1.70311 2.19393 TIMING: 3042800 CPU: 9609.98, 0.00315277/step Wall: 9609.98, 0.00315278/step, 1.71406 hours remaining, 235.437500 MB of memory in use. ENERGY: 3042800 4052.9877 20480.4323 14472.1866 235.9305 -203377.2164 2563.5707 0.0000 0.0000 52166.6300 -109405.4786 299.8023 -161572.1086 -109039.3586 298.7436 88.7437 112.1664 761150.1395 10.3359 10.2361 PRESSURE: 3043000 -286.258 -94.648 46.2729 -94.648 -353.812 -189.994 46.2729 -189.995 -377.745 GPRESSURE: 3043000 -253.475 -144.823 80.321 -110.939 -353.815 -170.296 103.503 -128.358 -319.036 PRESSAVG: 3043000 -1.90235 -67.1451 -42.1848 -67.1451 -13.992 7.93625 -42.1848 7.9362 -16.6772 GPRESSAVG: 3043000 -0.87811 -67.6882 -43.0795 -68.2566 -14.6957 8.79712 -40.1256 6.54854 -16.9101 TIMING: 3043000 CPU: 9610.61, 0.00313679/step Wall: 9610.61, 0.00313679/step, 1.7052 hours remaining, 235.437500 MB of memory in use. ENERGY: 3043000 4013.6270 20573.3086 14371.2575 237.6674 -202863.3603 2300.7195 0.0000 0.0000 52037.7062 -109329.0741 299.0614 -161366.7803 -108964.0606 299.3284 -339.2718 -308.7752 761982.5009 -10.8572 -10.8280 PRESSURE: 3043200 -43.8821 -53.2883 70.7224 -53.2897 -264.06 102.114 70.7234 102.115 -17.8467 GPRESSURE: 3043200 -63.3155 -102.261 46.5106 -15.9441 -210.5 70.0103 22.6071 145.952 39.9935 PRESSAVG: 3043200 46.0352 -29.3879 -2.61825 -29.3879 -48.4621 -21.2189 -2.61825 -21.2189 -16.2962 GPRESSAVG: 3043200 45.2613 -28.3143 -0.548756 -28.4261 -48.7264 -20.4229 -4.68972 -22.3539 -14.8623 TIMING: 3043200 CPU: 9611.24, 0.00314523/step Wall: 9611.24, 0.00314523/step, 1.70961 hours remaining, 235.437500 MB of memory in use. ENERGY: 3043200 4047.1092 20704.4205 14396.9417 238.5474 -202915.6337 2458.1081 0.0000 0.0000 51807.0559 -109263.4509 297.7359 -161070.5068 -108902.8891 299.0557 -108.5964 -77.9408 761599.8815 -6.2410 -6.1092 PRESSURE: 3043400 -200.047 42.6496 31.023 42.6489 -126.293 -38.5855 31.0245 -38.585 9.34292 GPRESSURE: 3043400 -117.53 108.297 32.6538 67.0499 -85.8004 -81.3641 -16.48 -67.5587 -44.2061 PRESSAVG: 3043400 37.4365 9.10461 34.2392 9.10461 -14.2829 -43.5752 34.2392 -43.5751 7.04276 GPRESSAVG: 3043400 36.7699 8.77033 32.7752 7.19296 -14.3881 -43.8637 35.0328 -43.3662 7.60661 TIMING: 3043400 CPU: 9611.87, 0.00314495/step Wall: 9611.87, 0.00314495/step, 1.70928 hours remaining, 235.437500 MB of memory in use. ENERGY: 3043400 3992.2670 20801.2552 14456.2441 241.4686 -203133.7108 2324.1227 0.0000 0.0000 52066.9785 -109251.3746 299.2296 -161318.3531 -108892.4643 299.4324 -105.6658 -82.5123 761125.6365 10.0655 9.9962 PRESSURE: 3043600 -78.7248 -170.817 -188.533 -170.817 209.399 -43.8656 -188.532 -43.8649 366.41 GPRESSURE: 3043600 25.7283 -90.4549 -176.275 -188.764 169.508 -64.9298 -196.671 12.2658 369.906 PRESSAVG: 3043600 40.4089 0.476835 -65.0918 0.476838 2.83931 -21.7295 -65.0918 -21.7295 9.04562 GPRESSAVG: 3043600 41.8892 0.412445 -64.4669 0.277903 2.76928 -22.0695 -65.2948 -20.125 7.8321 TIMING: 3043600 CPU: 9612.5, 0.00315049/step Wall: 9612.5, 0.00315049/step, 1.71212 hours remaining, 235.437500 MB of memory in use. ENERGY: 3043600 4001.5633 20518.9049 14421.3421 256.1450 -203465.8995 2729.6311 0.0000 0.0000 52368.4250 -109169.8880 300.9621 -161538.3130 -108796.9161 300.1375 165.6948 188.3809 761377.3042 17.4313 17.4969 PRESSURE: 3043800 -180.399 9.36424 -126.471 9.36372 -333.125 -125.161 -126.471 -125.161 21.8779 GPRESSURE: 3043800 -85.864 -19.2797 -122.626 130.444 -347.921 -43.8334 -56.8707 -211.141 26.7633 PRESSAVG: 3043800 -35.1574 -49.6788 24.7842 -49.6787 10.9479 -19.4066 24.7841 -19.4068 3.00739 GPRESSAVG: 3043800 -35.1134 -50.9589 25.1393 -49.1267 10.0878 -20.3006 25.7437 -18.9625 4.10884 TIMING: 3043800 CPU: 9613.13, 0.00317145/step Wall: 9613.13, 0.00317145/step, 1.72333 hours remaining, 235.437500 MB of memory in use. ENERGY: 3043800 4156.2929 20791.7667 14432.7691 242.3413 -203048.6889 2460.5872 0.0000 0.0000 51862.5176 -109102.4141 298.0546 -160964.9317 -108747.7851 299.7548 -163.8818 -135.6738 761384.2149 -7.0674 -6.9723 PRESSURE: 3044000 -369.03 -244.999 -147.288 -244.998 -192.913 -51.0035 -147.288 -51.0043 217.948 GPRESSURE: 3044000 -374.95 -309.742 -169.987 -71.2343 -131.798 -40.7461 -234.942 -23.0444 259.394 PRESSAVG: 3044000 -44.1766 -4.72252 -9.02577 -4.72244 28.1452 -0.056579 -9.02571 -0.056604 -9.51243 GPRESSAVG: 3044000 -43.5923 -5.47643 -10.2823 -4.38984 29.4541 0.00242853 -6.27388 0.822056 -11.2462 TIMING: 3044000 CPU: 9613.77, 0.00317201/step Wall: 9613.77, 0.00317201/step, 1.72346 hours remaining, 235.437500 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: 3044000 4090.7831 20574.2407 14455.3292 238.4472 -203249.8541 2458.9728 0.0000 0.0000 52502.7183 -108929.3628 301.7338 -161432.0811 -108555.5085 300.3805 -114.6649 -82.4514 761374.9494 -8.5146 -8.4614 PRESSURE: 3044200 209.389 172.515 27.0104 172.514 4.47292 52.9539 27.0101 52.9542 320.446 GPRESSURE: 3044200 292.372 242.015 56.3212 123.493 73.4358 107.897 -77.5208 59.5663 251.935 PRESSAVG: 3044200 -49.5213 -28.173 -58.0079 -28.173 30.1395 2.24598 -58.0079 2.24611 -10.3269 GPRESSAVG: 3044200 -49.6538 -24.8957 -57.8292 -26.2815 30.0139 3.12782 -61.185 -0.491465 -10.2657 TIMING: 3044200 CPU: 9614.4, 0.00316241/step Wall: 9614.4, 0.00316241/step, 1.71807 hours remaining, 235.437500 MB of memory in use. ENERGY: 3044200 3974.7365 20416.4101 14406.1226 266.5758 -202824.6821 2229.5680 0.0000 0.0000 52228.5014 -109302.7675 300.1579 -161531.2690 -108931.7290 299.9719 178.1026 205.9146 760153.8692 -9.9029 -9.9685 LDB: ============= START OF LOAD BALANCING ============== 9626.93 LDB: ============== END OF LOAD BALANCING =============== 9626.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9626.93 LDB: ============= START OF LOAD BALANCING ============== 9627.25 LDB: Largest compute 7076 load 0.032348 is 16.5% of average load 0.195470 LDB: Average compute 0.004370 is 2.2% of average load 0.195470 LDB: TIME 9627.25 LOAD: AVG 0.19547 MAX 0.216594 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.133 MB LDB: TIME 9627.25 LOAD: AVG 0.19547 MAX 0.216594 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 9627.25 LOAD: AVG 0.19547 MAX 0.216594 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 9627.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9627.26 PRESSURE: 3044400 -231.648 -28.2604 436.294 -28.2605 -165.534 -112.972 436.295 -112.972 98.2739 GPRESSURE: 3044400 -210.446 -47.9416 462.044 44.1105 -99.3705 -175.876 297.491 -33.1288 102.137 PRESSAVG: 3044400 -31.1259 -9.06624 14.1575 -9.06631 -10.3754 -65.4044 14.1575 -65.4045 -9.4933 GPRESSAVG: 3044400 -32.2993 -11.4336 14.8209 -11.0657 -10.7561 -66.0355 12.9976 -65.816 -8.63391 TIMING: 3044400 CPU: 9615.04, 0.00321919/step Wall: 9615.04, 0.00321919/step, 1.74874 hours remaining, 235.363281 MB of memory in use. ENERGY: 3044400 3944.4853 20648.2396 14422.5070 257.8759 -203026.6414 2445.2076 0.0000 0.0000 51960.0618 -109348.2642 298.6152 -161308.3260 -108980.7503 299.3103 -99.6360 -69.2264 760880.0720 -16.9982 -17.2298 PRESSURE: 3044600 -84.4906 27.3792 59.9171 27.3793 -95.1774 80.0632 59.9165 80.0639 322.409 GPRESSURE: 3044600 -28.2238 53.8524 86.2949 60.7377 -44.8604 85.6919 -149.41 36.8998 300.371 PRESSAVG: 3044600 11.5503 19.9353 -64.2041 19.9353 42.3183 -21.3423 -64.2041 -21.3424 0.107125 GPRESSAVG: 3044600 11.5738 21.5569 -63.1698 17.7143 42.2417 -21.5458 -64.4524 -20.0485 -0.361215 TIMING: 3044600 CPU: 9615.67, 0.00316054/step Wall: 9615.67, 0.00316054/step, 1.7167 hours remaining, 235.363281 MB of memory in use. ENERGY: 3044600 3997.0576 20538.7254 14359.8989 239.2117 -203274.6297 2670.0692 0.0000 0.0000 52290.1771 -109179.4897 300.5124 -161469.6669 -108806.3951 299.6418 47.5802 75.7622 760049.7353 17.9919 17.8181 PRESSURE: 3044800 118.735 -6.83309 141.855 -6.83366 -66.0678 -27.6224 141.856 -27.622 292.886 GPRESSURE: 3044800 131.31 -24.0921 102.734 72.2127 26.6371 10.8265 188.921 -23.5702 264.747 PRESSAVG: 3044800 -34.8681 -13.4608 15.7718 -13.4608 -4.07196 -12.8238 15.7718 -12.8238 14.6533 GPRESSAVG: 3044800 -34.6025 -14.0748 15.0805 -12.434 -3.22038 -12.309 15.7166 -13.3887 13.5732 TIMING: 3044800 CPU: 9616.31, 0.00315619/step Wall: 9616.31, 0.00315619/step, 1.71416 hours remaining, 235.621094 MB of memory in use. ENERGY: 3044800 3954.8947 20667.3986 14386.6587 242.6423 -202946.8928 2431.5000 0.0000 0.0000 51942.1333 -109321.6653 298.5122 -161263.7985 -108957.4303 299.4855 115.1845 140.8983 761100.9897 -8.0956 -8.0832 PRESSURE: 3045000 361.379 166.507 -50.6159 166.507 196.125 27.1559 -50.6153 27.1562 -6.43846 GPRESSURE: 3045000 432.714 117.732 -67.1643 21.8084 170.05 65.3236 -76.3903 25.3804 31.4171 PRESSAVG: 3045000 23.0958 -34.776 -23.2726 -34.7759 -17.225 -7.5351 -23.2725 -7.53517 -12.3291 GPRESSAVG: 3045000 23.8656 -36.841 -24.1633 -33.7756 -18.0812 -8.13614 -20.8504 -6.78121 -11.9295 TIMING: 3045000 CPU: 9616.93, 0.00314836/step Wall: 9616.93, 0.00314836/step, 1.70974 hours remaining, 235.621094 MB of memory in use. ENERGY: 3045000 3986.9127 20482.4234 14465.7898 253.3719 -203348.1746 2628.2482 0.0000 0.0000 52099.2908 -109432.1378 299.4153 -161531.4286 -109066.6989 299.2897 183.6887 211.3937 760524.1770 -2.1528 -2.0484 PRESSURE: 3045200 -120.084 -186.502 -334.326 -186.501 -115.438 -6.68917 -334.325 -6.68843 -60.5271 GPRESSURE: 3045200 -111.455 -162.341 -254.729 -102.315 -80.8708 -26.5415 -387.917 -9.73462 -37.697 PRESSAVG: 3045200 -2.19621 -33.6293 -28.8374 -33.6293 41.5683 -18.8624 -28.8374 -18.8624 7.12189 GPRESSAVG: 3045200 -3.87896 -31.7428 -28.0603 -34.8851 42.5189 -17.6001 -30.9839 -18.6513 7.68464 TIMING: 3045200 CPU: 9617.57, 0.00317721/step Wall: 9617.57, 0.00317721/step, 1.72523 hours remaining, 235.621094 MB of memory in use. ENERGY: 3045200 3880.8318 20450.5849 14495.6799 229.1764 -202732.6760 2316.3031 0.0000 0.0000 51928.7102 -109431.3897 298.4350 -161360.1000 -109070.0450 298.7508 -98.6830 -76.6743 764137.0221 15.4980 15.4415 PRESSURE: 3045400 -446.007 87.8271 -8.08769 87.8271 -60.0759 -208.01 -8.08794 -208.01 -218.521 GPRESSURE: 3045400 -368.279 39.4303 -32.5156 86.5034 -37.6809 -163.301 27.3977 -48.615 -248.698 PRESSAVG: 3045400 -42.4806 -15.6916 -11.5038 -15.6915 -50.0658 12.663 -11.5039 12.663 9.72692 GPRESSAVG: 3045400 -42.0034 -15.3675 -13.4789 -14.7442 -50.0546 10.3194 -11.15 14.6452 9.37091 TIMING: 3045400 CPU: 9618.2, 0.00316547/step Wall: 9618.2, 0.00316547/step, 1.71867 hours remaining, 235.621094 MB of memory in use. ENERGY: 3045400 3943.7134 20656.6081 14451.6264 251.2703 -203264.5422 2484.3630 0.0000 0.0000 52027.6108 -109449.3503 299.0034 -161476.9611 -109088.6254 298.1401 -241.5346 -218.2194 763032.2432 -27.6065 -27.5624 PRESSURE: 3045600 -47.4628 -79.1057 262.148 -79.1055 -61.6928 -48.119 262.148 -48.1165 120.002 GPRESSURE: 3045600 -24.9321 -84.4944 262.787 -115.035 -83.3319 -41.1913 270.475 -94.5859 186.997 PRESSAVG: 3045600 -55.6316 -17.1815 36.3735 -17.1815 -0.0459598 20.5333 36.3735 20.5332 -5.85503 GPRESSAVG: 3045600 -55.2587 -17.9018 36.0728 -18.011 -0.406884 22.2515 34.3064 19.311 -6.25502 TIMING: 3045600 CPU: 9618.84, 0.00317852/step Wall: 9618.84, 0.00317852/step, 1.72558 hours remaining, 235.621094 MB of memory in use. ENERGY: 3045600 4036.6716 20530.9704 14455.0599 245.1109 -203182.9981 2490.7185 0.0000 0.0000 52154.8566 -109269.6102 299.7347 -161424.4668 -108897.1964 299.3789 3.6155 26.2444 760819.8396 -20.5108 -20.6402 PRESSURE: 3045800 -254.006 -263.241 8.13673 -263.242 -100.498 87.4368 8.13601 87.4373 -180.85 GPRESSURE: 3045800 -297.376 -295.952 34.1582 -222.484 -48.2831 27.2888 25.9809 85.5331 -115.685 PRESSAVG: 3045800 6.40195 -7.17483 -3.4206 -7.17484 47.3488 64.6597 -3.42058 64.6596 18.1826 GPRESSAVG: 3045800 5.41782 -6.09483 -1.0252 -6.87394 47.6283 65.2071 -0.924204 64.3413 18.432 TIMING: 3045800 CPU: 9619.47, 0.00317273/step Wall: 9619.47, 0.00317273/step, 1.72227 hours remaining, 235.621094 MB of memory in use. ENERGY: 3045800 4029.5120 20539.6614 14394.6784 250.7607 -203076.8704 2560.8052 0.0000 0.0000 52239.0309 -109062.4218 300.2184 -161301.4527 -108698.9984 299.9407 -178.4514 -153.7813 763407.8107 23.9778 23.8261 PRESSURE: 3046000 -455.189 -90.5221 -27.7684 -90.5214 -140.213 57.2753 -27.7691 57.2748 -302.573 GPRESSURE: 3046000 -350.863 -23.2238 -19.4206 -105.184 -188.478 95.4425 13.3351 55.5365 -280.828 PRESSAVG: 3046000 -10.6083 -34.1095 -28.2274 -34.1095 25.3376 -30.8588 -28.2274 -30.8588 -1.72262 GPRESSAVG: 3046000 -9.51688 -34.2252 -29.1563 -33.6695 24.6961 -31.3146 -29.7081 -31.3205 -2.36096 TIMING: 3046000 CPU: 9620.11, 0.00316885/step Wall: 9620.11, 0.00316885/step, 1.71998 hours remaining, 235.621094 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: 3046000 3941.8795 20655.1220 14389.0685 254.5316 -202997.3542 2564.6147 0.0000 0.0000 52022.9492 -109169.1886 298.9766 -161192.1379 -108805.4290 299.8925 -299.3249 -273.3896 762838.0503 4.3355 4.2727 PRESSURE: 3046200 -49.628 89.186 -29.8866 89.1871 190.205 -92.5929 -29.8863 -92.5924 130.312 GPRESSURE: 3046200 -49.9002 74.8434 -34.7738 54.7014 241.763 -146.579 -82.985 -63.3935 153.353 PRESSAVG: 3046200 3.96231 -6.4905 1.24766 -6.49048 19.7845 -39.3454 1.24769 -39.3454 -14.1609 GPRESSAVG: 3046200 4.28758 -6.64159 2.12928 -6.67243 19.1251 -38.0845 1.80339 -38.5375 -14.0686 TIMING: 3046200 CPU: 9620.73, 0.00313107/step Wall: 9620.73, 0.00313107/step, 1.6993 hours remaining, 235.621094 MB of memory in use. ENERGY: 3046200 4058.5692 20513.3640 14500.3902 240.4959 -203399.2666 2856.5437 0.0000 0.0000 51954.5098 -109275.3938 298.5833 -161229.9037 -108911.0245 299.2491 90.2964 115.0721 762390.9091 3.1953 3.1147 PRESSURE: 3046400 198.189 -132.192 163.047 -132.192 -363.723 127.612 163.046 127.612 -90.0528 GPRESSURE: 3046400 206.864 -97.9802 167.135 -85.5261 -239.645 63.8225 78.478 59.9901 -124.964 PRESSAVG: 3046400 -54.6282 -46.2344 -7.99736 -46.2344 14.1261 7.76399 -7.99739 7.76396 -21.317 GPRESSAVG: 3046400 -55.6764 -47.6281 -7.75564 -46.6586 15.4299 6.81995 -9.64695 8.85132 -22.5432 TIMING: 3046400 CPU: 9621.36, 0.00314032/step Wall: 9621.36, 0.00314032/step, 1.70415 hours remaining, 235.632812 MB of memory in use. ENERGY: 3046400 3924.0385 20510.9616 14337.5108 238.8445 -202719.9809 2328.9872 0.0000 0.0000 52289.4098 -109090.2285 300.5080 -161379.6382 -108724.0291 299.6945 -85.1958 -52.5818 763581.4688 -20.6063 -20.9299 PRESSURE: 3046600 -159.723 79.6245 -131.185 79.6237 253.987 36.347 -131.185 36.3476 119.883 GPRESSURE: 3046600 -36.2209 184.485 -97.3636 17.1259 286.835 -46.0935 -92.6672 98.3036 50.5748 PRESSAVG: 3046600 -22.7331 21.8026 -37.9621 21.8026 29.9927 19.2391 -37.9621 19.2391 -28.7363 GPRESSAVG: 3046600 -22.155 23.9625 -39.4067 22.7402 28.2373 18.4049 -36.3928 14.6905 -27.8233 TIMING: 3046600 CPU: 9621.99, 0.00316044/step Wall: 9621.99, 0.00316044/step, 1.71489 hours remaining, 235.632812 MB of memory in use. ENERGY: 3046600 3985.1609 20520.4756 14462.1617 234.3580 -202940.3979 2530.8649 0.0000 0.0000 52000.3248 -109207.0519 298.8466 -161207.3767 -108841.3328 299.4332 71.3824 100.3964 762586.9763 -7.1589 -7.2470 PRESSURE: 3046800 7.73788 121.363 -89.9893 121.363 -57.6582 83.1509 -89.989 83.1505 315.821 GPRESSURE: 3046800 1.22072 35.0823 -91.615 140.664 3.57561 21.4561 -176.632 146.805 340.827 PRESSAVG: 3046800 -56.469 20.9205 -34.6467 20.9206 3.05433 -3.73449 -34.6466 -3.7345 38.8953 GPRESSAVG: 3046800 -57.5182 20.8288 -34.5838 19.9746 3.74821 -2.89165 -33.4694 -1.718 39.1766 TIMING: 3046800 CPU: 9622.63, 0.00317362/step Wall: 9622.63, 0.00317362/step, 1.72186 hours remaining, 235.632812 MB of memory in use. ENERGY: 3046800 4032.0594 20388.9537 14312.3096 254.4198 -203431.2450 2810.0993 0.0000 0.0000 52410.6163 -109222.7868 301.2045 -161633.4031 -108849.2798 299.7232 88.6336 115.2079 763562.4684 -4.8398 -4.8644 PRESSURE: 3047000 -118.666 -56.1597 -141.538 -56.1598 -222.025 192.418 -141.538 192.419 280.134 GPRESSURE: 3047000 -102.493 -25.9296 -110.669 -140.229 -185.209 139.44 -34.9041 92.8674 334.937 PRESSAVG: 3047000 48.7475 12.2452 4.80077 12.2452 -75.2104 -32.5552 4.80077 -32.5551 -2.6211 GPRESSAVG: 3047000 49.4688 10.2703 4.41347 12.0599 -75.4912 -33.7712 4.99632 -32.4033 -2.46243 TIMING: 3047000 CPU: 9623.26, 0.00315745/step Wall: 9623.26, 0.00315745/step, 1.71292 hours remaining, 235.632812 MB of memory in use. ENERGY: 3047000 4004.8708 20551.0534 14425.8232 247.6254 -203046.2871 2557.9029 0.0000 0.0000 52054.5793 -109204.4321 299.1584 -161259.0114 -108845.8201 299.8448 -20.1856 15.7447 764067.2794 -9.6947 -9.4949 PRESSURE: 3047200 -179.274 116.34 144.669 116.34 -72.03 -68.2465 144.669 -68.2482 -241.235 GPRESSURE: 3047200 -156.387 39.4534 162.04 130.521 -51.6583 -35.6677 110.462 -47.6162 -224.248 PRESSAVG: 3047200 -32.7916 80.0205 79.6423 80.0204 25.2669 13.1397 79.6423 13.1397 1.73663 GPRESSAVG: 3047200 -32.4892 78.8648 79.2315 83.1804 24.7383 13.7559 78.679 11.9579 2.07692 TIMING: 3047200 CPU: 9623.89, 0.00314083/step Wall: 9623.89, 0.00314083/step, 1.70373 hours remaining, 235.632812 MB of memory in use. ENERGY: 3047200 4002.8241 20509.4308 14450.8585 248.3972 -203141.8043 2465.0236 0.0000 0.0000 52227.9708 -109237.2993 300.1549 -161465.2701 -108862.9842 299.9504 -164.1795 -144.0978 764289.5071 -1.9294 -1.8913 PRESSURE: 3047400 80.476 -59.1648 -107.219 -59.1643 -332.317 -28.4479 -107.219 -28.4478 -326.415 GPRESSURE: 3047400 103.547 2.87786 -127.367 51.5173 -293.473 -46.7097 -18.0903 -52.1076 -309.322 PRESSAVG: 3047400 -7.16895 -2.68986 46.3131 -2.68984 36.8043 -14.8558 46.3131 -14.8558 -2.10442 GPRESSAVG: 3047400 -7.8119 -1.39967 46.7072 -4.34962 38.0749 -14.4229 47.6748 -13.8455 -2.33011 TIMING: 3047400 CPU: 9624.52, 0.00315739/step Wall: 9624.52, 0.00315739/step, 1.71253 hours remaining, 235.632812 MB of memory in use. ENERGY: 3047400 3973.2490 20553.9135 14431.2318 267.9934 -203124.8924 2589.6926 0.0000 0.0000 51991.5257 -109317.2865 298.7960 -161308.8121 -108957.6184 299.6160 -192.7523 -166.4161 763587.8033 9.1770 9.3110 PRESSURE: 3047600 -69.7266 70.7127 -0.644146 70.7127 -103.164 -5.15498 -0.643451 -5.15458 95.8978 GPRESSURE: 3047600 4.32063 106.621 -27.425 132.381 -144.796 15.3704 -62.9317 27.4103 132.107 PRESSAVG: 3047600 16.1896 37.0213 -36.8681 37.0214 -13.8044 26.8163 -36.8681 26.8162 -4.33925 GPRESSAVG: 3047600 16.091 39.3318 -36.3626 35.093 -12.7762 25.9314 -40.0612 27.8238 -5.45064 TIMING: 3047600 CPU: 9625.15, 0.00316458/step Wall: 9625.15, 0.00316458/step, 1.71626 hours remaining, 235.632812 MB of memory in use. ENERGY: 3047600 4036.4055 20552.1566 14372.9541 247.2713 -203196.9015 2773.2368 0.0000 0.0000 51805.2878 -109409.5893 297.7257 -161214.8771 -109056.2286 299.2623 -25.6642 -2.7894 763856.8316 -0.6513 -0.7119 PRESSURE: 3047800 59.2745 29.3069 34.6283 29.3068 141.878 34.5288 34.6283 34.5286 71.3512 GPRESSURE: 3047800 24.5232 20.5173 -28.6196 109.572 223.649 113.583 121.667 -42.0291 117.67 PRESSAVG: 3047800 45.1925 31.2124 10.9034 31.2124 -65.0731 1.74728 10.9035 1.74733 3.70212 GPRESSAVG: 3047800 44.4277 28.5421 11.1068 31.1665 -66.0451 2.76524 13.6251 -0.351057 5.3511 TIMING: 3047800 CPU: 9625.79, 0.00319538/step Wall: 9625.79, 0.00319538/step, 1.73279 hours remaining, 235.632812 MB of memory in use. ENERGY: 3047800 3957.1361 20526.5654 14355.3941 228.3374 -203399.6481 2966.3489 0.0000 0.0000 51708.4528 -109657.4134 297.1692 -161365.8662 -109307.8992 298.3196 90.8346 121.9473 764154.0217 -5.3928 -5.4221 PRESSURE: 3048000 113.1 -205.768 139.441 -205.768 -21.6678 189.541 139.441 189.539 -4.26305 GPRESSURE: 3048000 178.666 -169.569 57.8212 -202.438 -8.47957 204.385 45.6621 136.641 23.0465 PRESSAVG: 3048000 18.3691 36.3545 2.47416 36.3545 15.218 17.752 2.47416 17.7519 -6.70433 GPRESSAVG: 3048000 19.5023 36.5674 1.24686 35.385 15.7029 17.8132 2.03053 20.1213 -8.55905 TIMING: 3048000 CPU: 9626.43, 0.00317645/step Wall: 9626.43, 0.00317645/step, 1.72234 hours remaining, 235.632812 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: 3048000 4034.6570 20488.5352 14339.3401 246.8586 -203183.0587 2435.2593 0.0000 0.0000 52021.3863 -109617.0222 298.9676 -161638.4085 -109255.2653 299.0865 29.0564 64.4110 763196.8826 8.9609 8.8821 PRESSURE: 3048200 201.999 -38.297 -120.609 -38.2974 -229.804 -237.624 -120.609 -237.626 -193.275 GPRESSURE: 3048200 119.541 24.9928 -48.8569 -82.4785 -90.5636 -264.393 -145.762 -195.615 -146.727 PRESSAVG: 3048200 -4.24047 -18.0075 -45.8434 -18.0075 27.3331 -48.5772 -45.8434 -48.5771 2.81189 GPRESSAVG: 3048200 -3.8552 -17.6196 -43.4797 -15.0658 26.7212 -47.3282 -44.8844 -48.4857 2.92763 TIMING: 3048200 CPU: 9627.06, 0.00314267/step Wall: 9627.06, 0.00314267/step, 1.70385 hours remaining, 235.632812 MB of memory in use. ENERGY: 3048200 4013.3770 20459.1280 14422.9614 243.0678 -202957.6591 2428.9663 0.0000 0.0000 51808.0774 -109582.0811 297.7417 -161390.1586 -109229.2395 298.7100 -73.6933 -39.2500 764056.2339 8.6348 8.5979 LDB: ============= START OF LOAD BALANCING ============== 9639.59 LDB: ============== END OF LOAD BALANCING =============== 9639.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9639.59 LDB: ============= START OF LOAD BALANCING ============== 9639.9 LDB: Largest compute 7068 load 0.033762 is 17.3% of average load 0.195615 LDB: Average compute 0.004372 is 2.2% of average load 0.195615 LDB: TIME 9639.91 LOAD: AVG 0.195615 MAX 0.215683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.852 MB LDB: TIME 9639.91 LOAD: AVG 0.195615 MAX 0.215683 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: TIME 9639.91 LOAD: AVG 0.195615 MAX 0.215683 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.852 MB LDB: ============== END OF LOAD BALANCING =============== 9639.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9639.91 PRESSURE: 3048400 -69.9817 -138.737 104.693 -138.737 -126.529 -186.677 104.693 -186.677 -372.067 GPRESSURE: 3048400 -103.618 -6.46434 99.1225 -84.2027 -58.4544 -187.638 49.9138 -43.6942 -332.908 PRESSAVG: 3048400 26.722 1.58199 -51.1812 1.582 8.36103 -8.9571 -51.1813 -8.95708 -10.4566 GPRESSAVG: 3048400 25.8042 2.32085 -52.0738 0.882691 8.69048 -10.4768 -51.0215 -10.9385 -9.91722 TIMING: 3048400 CPU: 9627.7, 0.00321008/step Wall: 9627.7, 0.00321008/step, 1.74022 hours remaining, 236.164062 MB of memory in use. ENERGY: 3048400 4034.4151 20502.2621 14394.1429 223.2392 -203147.4855 2613.0102 0.0000 0.0000 51726.6555 -109653.7606 297.2738 -161380.4161 -109304.1515 298.5259 -189.5257 -164.9934 764868.7456 8.2088 8.1925 PRESSURE: 3048600 99.8582 108.391 7.6298 108.39 -162.663 -62.6952 7.62972 -62.695 89.3908 GPRESSURE: 3048600 92.5157 75.1059 38.2702 148.049 -95.8805 -50.4344 -126.61 -3.90608 122.431 PRESSAVG: 3048600 -12.6439 88.1577 -14.3235 88.1576 20.1377 -44.4977 -14.3234 -44.4977 -5.78942 GPRESSAVG: 3048600 -12.3405 91.5785 -14.9851 84.3964 20.1444 -43.9169 -15.5099 -41.8225 -5.94389 TIMING: 3048600 CPU: 9628.33, 0.00316267/step Wall: 9628.33, 0.00316267/step, 1.71434 hours remaining, 236.164062 MB of memory in use. ENERGY: 3048600 3938.7231 20410.1738 14460.2536 243.1850 -203140.1721 2510.3025 0.0000 0.0000 51855.6058 -109721.9282 298.0149 -161577.5341 -109361.2759 298.3269 8.8621 39.6887 763358.9498 0.5681 0.6200 PRESSURE: 3048800 154.33 291.022 222.841 291.023 145.275 229.63 222.842 229.629 165.009 GPRESSURE: 3048800 43.0131 198.387 273.702 332.291 274.647 168.643 212.212 196.554 249.937 PRESSAVG: 3048800 9.99094 25.4632 18.2221 25.4631 11.4766 -38.0369 18.222 -38.037 -10.5731 GPRESSAVG: 3048800 10.6537 20.2282 19.2118 30.333 11.4747 -38.0468 19.315 -39.4423 -10.7999 TIMING: 3048800 CPU: 9628.96, 0.00316034/step Wall: 9628.96, 0.00316034/step, 1.7129 hours remaining, 236.164062 MB of memory in use. ENERGY: 3048800 4029.5773 20460.6608 14384.0798 238.6210 -203099.5513 2527.6083 0.0000 0.0000 51978.2322 -109480.7719 298.7196 -161459.0040 -109119.8217 298.4051 154.8714 189.1991 763213.7939 3.6315 3.7762 PRESSURE: 3049000 -103.874 -142.619 96.7928 -142.619 337.608 36.9145 96.7925 36.9147 9.4225 GPRESSURE: 3049000 -98.5721 -147.462 2.72897 -135.03 432.37 61.6286 -60.3106 79.4297 -10.7671 PRESSAVG: 3049000 -31.7493 -14.5555 29.2576 -14.5555 26.0101 -29.8984 29.2575 -29.8984 -0.70975 GPRESSAVG: 3049000 -31.7978 -10.9241 29.6041 -18.1891 26.2063 -29.0285 29.521 -30.8602 -0.979594 TIMING: 3049000 CPU: 9629.59, 0.00315851/step Wall: 9629.59, 0.00315851/step, 1.71174 hours remaining, 236.164062 MB of memory in use. ENERGY: 3049000 3929.2906 20596.0139 14393.5445 242.6515 -203157.2871 2570.4433 0.0000 0.0000 52075.4154 -109349.9280 299.2781 -161425.3433 -108990.6519 299.3336 81.0519 107.6768 761609.7440 -2.1497 -2.1904 PRESSURE: 3049200 1.10581 -87.8972 -28.6123 -87.8975 -130.023 20.6156 -28.6127 20.6156 -262.39 GPRESSURE: 3049200 39.1644 -79.1285 -86.2854 -153.163 -32.1541 -18.1833 95.0264 -44.3793 -297.674 PRESSAVG: 3049200 -5.32869 -13.1868 33.8758 -13.1868 -5.17132 17.5641 33.8758 17.5642 -8.62245 GPRESSAVG: 3049200 -5.19595 -13.658 32.8091 -12.2208 -5.44079 16.0979 34.4451 18.9396 -8.50749 TIMING: 3049200 CPU: 9630.22, 0.00315241/step Wall: 9630.22, 0.00315241/step, 1.70826 hours remaining, 236.164062 MB of memory in use. ENERGY: 3049200 3998.8678 20530.0839 14320.2903 224.7162 -203146.5152 2621.8732 0.0000 0.0000 52099.9661 -109350.7178 299.4192 -161450.6839 -108983.9193 298.9433 -130.4356 -96.8878 762489.9469 -6.3742 -6.3814 PRESSURE: 3049400 -251.3 79.6292 -113.959 79.6288 155.263 148.239 -113.96 148.238 44.4469 GPRESSURE: 3049400 -204.097 -90.1212 -139.52 112.713 139.317 77.5177 -100.477 292.605 86.5059 PRESSAVG: 3049400 -23.7079 25.2205 6.14786 25.2205 21.4867 43.7603 6.14784 43.7603 -17.4482 GPRESSAVG: 3049400 -23.6389 23.8228 6.3658 23.8283 21.6468 43.3073 3.89065 44.4498 -17.9328 TIMING: 3049400 CPU: 9630.86, 0.00316756/step Wall: 9630.86, 0.00316756/step, 1.71629 hours remaining, 236.421875 MB of memory in use. ENERGY: 3049400 4012.9115 20552.1893 14380.0360 253.0346 -203160.4952 2509.3226 0.0000 0.0000 52144.6951 -109308.3062 299.6763 -161453.0013 -108949.1633 299.5761 -17.1966 7.2421 762221.1106 -6.5565 -6.6416 PRESSURE: 3049600 -490.814 7.35262 -93.9976 7.35371 -83.7266 143.749 -93.9975 143.749 -425.146 GPRESSURE: 3049600 -467.261 -49.6018 -98.895 56.574 -86.7325 141.9 -44.4264 127.784 -367.823 PRESSAVG: 3049600 -18.0497 27.3692 40.9723 27.3692 27.1975 13.6539 40.9723 13.6539 -5.87542 GPRESSAVG: 3049600 -18.2396 27.5651 39.5881 28.4013 26.6158 13.8066 42.2053 13.827 -4.94437 TIMING: 3049600 CPU: 9631.49, 0.00318092/step Wall: 9631.49, 0.00318092/step, 1.72335 hours remaining, 236.421875 MB of memory in use. ENERGY: 3049600 3993.4596 20645.9796 14397.5138 234.0043 -202690.5319 2163.9688 0.0000 0.0000 52221.9779 -109033.6280 300.1204 -161255.6059 -108666.8141 299.9948 -333.2288 -307.2723 761520.5244 1.0908 1.1439 PRESSURE: 3049800 -181.515 -141.952 171.219 -141.952 100.355 -16.9076 171.219 -16.9069 51.309 GPRESSURE: 3049800 8.59706 -8.95454 202.436 -155.132 43.1594 15.8618 112.024 -94.5796 9.04697 PRESSAVG: 3049800 -46.4419 39.469 8.73936 39.4689 15.2058 -17.9713 8.73931 -17.9714 5.8821 GPRESSAVG: 3049800 -45.85 39.5143 9.00841 39.7351 15.8054 -17.6172 7.77265 -17.9047 4.97546 TIMING: 3049800 CPU: 9632.13, 0.00316077/step Wall: 9632.13, 0.00316077/step, 1.71226 hours remaining, 236.421875 MB of memory in use. ENERGY: 3049800 4009.8416 20598.0749 14415.3784 257.9049 -203131.9357 2544.3444 0.0000 0.0000 52354.8157 -108951.5758 300.8838 -161306.3915 -108585.9978 300.6209 -9.9505 20.2678 762348.5473 -8.4513 -8.3564 PRESSURE: 3050000 -239.258 50.2249 -109.617 50.2249 -69.7977 -304.159 -109.617 -304.16 -449.364 GPRESSURE: 3050000 -139.555 14.5642 -145.421 37.8542 -25.2877 -452.196 1.11002 -117.913 -508.461 PRESSAVG: 3050000 -40.0842 38.3576 4.99558 38.3576 41.8517 -6.57352 4.99554 -6.57357 10.4861 GPRESSAVG: 3050000 -41.0092 39.104 6.22817 37.9998 43.0898 -5.51448 5.72165 -6.81707 10.6038 TIMING: 3050000 CPU: 9632.76, 0.00316702/step Wall: 9632.76, 0.00316702/step, 1.71547 hours remaining, 236.421875 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: 3050000 4046.7408 20574.1641 14364.5157 243.2328 -202798.6143 2241.1979 0.0000 0.0000 52210.6083 -109118.1547 300.0551 -161328.7630 -108757.0179 300.0403 -252.8068 -224.4346 760466.8869 4.0845 4.2281 PRESSURE: 3050200 -337.344 68.2011 -118.72 68.2006 -389.265 172.887 -118.719 172.887 -183.11 GPRESSURE: 3050200 -264.936 79.3156 -64.2568 76.3354 -352.072 190.781 -60.7727 -45.4616 -190.737 PRESSAVG: 3050200 23.6682 50.0888 -38.1564 50.0887 -39.5925 25.3591 -38.1564 25.3592 0.733821 GPRESSAVG: 3050200 23.8703 49.8811 -38.8163 49.1636 -41.4721 24.8118 -37.7425 23.981 2.68728 TIMING: 3050200 CPU: 9633.39, 0.0031673/step Wall: 9633.39, 0.0031673/step, 1.71545 hours remaining, 236.421875 MB of memory in use. ENERGY: 3050200 3975.4281 20656.9869 14343.0294 222.6031 -202206.4562 1893.5848 0.0000 0.0000 52141.4189 -108973.4052 299.6575 -161114.8240 -108611.7201 300.2345 -303.2399 -269.2480 761912.3569 -5.0635 -4.9715 PRESSURE: 3050400 -102.868 -154.804 -89.6024 -154.805 -646.57 -1.08658 -89.6027 -1.08522 -158.824 GPRESSURE: 3050400 -179.845 -150.163 -119.146 -194.011 -573.653 -25.0471 -123.542 67.4966 -64.8758 PRESSAVG: 3050400 7.15269 11.4015 20.4901 11.4016 5.13262 12.8129 20.4901 12.8129 8.26327 GPRESSAVG: 3050400 5.95707 12.5858 20.3496 11.6415 7.28641 14.7113 19.8569 11.8229 7.34054 TIMING: 3050400 CPU: 9634.03, 0.00317984/step Wall: 9634.03, 0.00317985/step, 1.72206 hours remaining, 236.421875 MB of memory in use. ENERGY: 3050400 4036.2847 20686.4411 14376.8826 235.2762 -202441.5719 2047.5154 0.0000 0.0000 52151.1341 -108908.0378 299.7133 -161059.1719 -108549.5451 300.0130 -302.7542 -272.7912 762752.7403 6.8495 6.8613 PRESSURE: 3050600 -290.081 -79.8969 -19.8284 -79.8975 -14.9868 79.9955 -19.8291 79.9954 -84.2313 GPRESSURE: 3050600 -273.272 -57.6654 53.2091 74.7217 -1.18452 32.6569 -57.6807 108.807 -36.9426 PRESSAVG: 3050600 15.8282 -17.8083 -26.0068 -17.8082 -19.3907 3.07317 -26.0068 3.07309 16.8934 GPRESSAVG: 3050600 17.1473 -19.8799 -25.7586 -15.4284 -18.9806 0.968535 -26.6961 3.4428 15.54 TIMING: 3050600 CPU: 9634.66, 0.00315758/step Wall: 9634.66, 0.00315758/step, 1.70983 hours remaining, 236.492188 MB of memory in use. ENERGY: 3050600 3991.5384 20452.7173 14391.7351 254.4155 -203110.0779 2629.1175 0.0000 0.0000 52339.2744 -109051.2798 300.7945 -161390.5542 -108685.9388 300.4831 -129.7665 -103.7995 761761.5796 4.4436 4.5689 PRESSURE: 3050800 95.2401 -120.186 -31.0687 -120.187 -24.623 -74.2251 -31.0688 -74.2243 227.168 GPRESSURE: 3050800 211.689 -213.57 -23.0546 -79.3324 20.7241 -159.241 31.3021 -38.9509 172.235 PRESSAVG: 3050800 20.175 -26.3681 -9.9353 -26.3682 -20.2857 11.6835 -9.93526 11.6835 8.71259 GPRESSAVG: 3050800 19.1687 -23.8155 -10.4737 -28.7327 -22.0633 11.5879 -8.99258 12.2864 10.9299 TIMING: 3050800 CPU: 9635.29, 0.00316089/step Wall: 9635.29, 0.00316089/step, 1.71145 hours remaining, 236.492188 MB of memory in use. ENERGY: 3050800 3967.4583 20529.9378 14328.2822 236.9292 -202950.8022 2737.1564 0.0000 0.0000 52015.7277 -109135.3105 298.9351 -161151.0383 -108773.3583 300.2663 99.2618 134.8828 761956.0428 2.8673 2.6784 PRESSURE: 3051000 60.3688 192.253 138.894 192.253 158.971 -79.6557 138.893 -79.6556 167.543 GPRESSURE: 3051000 103.477 218.074 84.9478 238.968 125.825 -99.7212 222.971 43.9691 237.55 PRESSAVG: 3051000 18.8598 6.49976 -10.8347 6.4998 -24.1367 -15.2973 -10.8347 -15.2973 -11.8522 GPRESSAVG: 3051000 18.9021 2.53716 -10.6738 8.07944 -24.1379 -14.642 -12.0773 -15.2938 -12.1021 TIMING: 3051000 CPU: 9635.92, 0.00315365/step Wall: 9635.92, 0.00315365/step, 1.70735 hours remaining, 236.492188 MB of memory in use. ENERGY: 3051000 4031.8217 20608.3240 14340.0997 230.4888 -203008.2589 2488.2888 0.0000 0.0000 51899.3313 -109409.9043 298.2662 -161309.2357 -109057.9132 299.0363 128.9608 155.6172 762301.5871 -5.7097 -5.7793 PRESSURE: 3051200 -203.73 -33.6712 -176.515 -33.6713 -52.1052 -366.957 -176.516 -366.956 -317.287 GPRESSURE: 3051200 -53.7258 -4.34987 -289.266 74.9298 -86.76 -349.214 -126.009 -156.505 -350.938 PRESSAVG: 3051200 -19.8346 27.2965 -0.300678 27.2964 -21.0634 33.5489 -0.300617 33.5489 21.9132 GPRESSAVG: 3051200 -19.1462 28.141 -0.558988 25.577 -20.3429 32.2716 0.464737 37.1489 20.8255 TIMING: 3051200 CPU: 9636.55, 0.00313806/step Wall: 9636.55, 0.00313806/step, 1.69874 hours remaining, 236.492188 MB of memory in use. ENERGY: 3051200 3981.8945 20645.0517 14388.6305 241.8748 -203152.9349 2633.1322 0.0000 0.0000 51860.5888 -109401.7624 298.0435 -161262.3512 -109030.5879 298.8179 -191.0408 -163.8079 763898.9458 -6.3283 -6.2212 PRESSURE: 3051400 2.14632 -35.1037 -187.813 -35.1034 -243.817 -15.5008 -187.814 -15.501 22.9331 GPRESSURE: 3051400 -87.6489 -41.9519 -78.3617 -202.267 -66.8745 -100.442 -121.502 40.1656 21.7991 PRESSAVG: 3051400 30.2863 23.7804 1.79767 23.7804 -24.8224 44.6662 1.79768 44.6663 1.19055 GPRESSAVG: 3051400 28.7092 23.4225 1.48742 23.438 -24.2393 44.727 1.63086 42.8271 2.16051 TIMING: 3051400 CPU: 9637.18, 0.00315437/step Wall: 9637.18, 0.00315437/step, 1.70739 hours remaining, 236.492188 MB of memory in use. ENERGY: 3051400 4029.3236 20702.0056 14333.1713 229.2334 -202989.0292 2435.9321 0.0000 0.0000 52155.4391 -109103.9239 299.7380 -161259.3630 -108745.5322 299.6932 -72.9125 -44.2414 764341.3511 2.2181 2.2101 PRESSURE: 3051600 -187.822 19.482 33.5146 19.4813 -116.618 15.7443 33.5156 15.7442 31.8889 GPRESSURE: 3051600 -182.783 100.52 -44.6455 30.3048 -56.393 84.5478 37.7193 -193.127 35.9968 PRESSAVG: 3051600 -7.37025 33.0647 -11.0244 33.0647 2.79686 7.94192 -11.0244 7.94187 17.2234 GPRESSAVG: 3051600 -5.61929 32.0731 -8.40227 34.5749 1.83899 9.78706 -11.6683 5.78053 16.3827 TIMING: 3051600 CPU: 9637.81, 0.00315401/step Wall: 9637.81, 0.00315401/step, 1.70702 hours remaining, 236.492188 MB of memory in use. ENERGY: 3051600 4033.4848 20473.6826 14440.6433 243.9855 -202949.7497 2674.8800 0.0000 0.0000 52008.5549 -109074.5185 298.8939 -161083.0734 -108710.2829 299.6311 -90.8505 -67.7264 764174.1638 4.2167 4.2008 PRESSURE: 3051800 37.1163 -97.2635 76.0873 -97.2645 -77.335 -146.569 76.0875 -146.569 -121.816 GPRESSURE: 3051800 210.285 -87.4079 37.6846 -17.5246 -144.446 -21.5306 60.1349 -87.5757 -148.356 PRESSAVG: 3051800 23.094 -6.98602 18.2427 -6.98598 23.5695 -3.26704 18.2428 -3.26702 9.56569 GPRESSAVG: 3051800 23.2225 -5.33388 17.6762 -9.10305 23.9607 -3.39603 18.3467 -3.38937 9.66225 TIMING: 3051800 CPU: 9638.44, 0.00315619/step Wall: 9638.44, 0.00315619/step, 1.70803 hours remaining, 236.492188 MB of memory in use. ENERGY: 3051800 3956.8319 20635.8955 14465.2177 235.8086 -202888.7879 2477.5631 0.0000 0.0000 52084.8911 -109032.5798 299.3326 -161117.4710 -108671.9764 299.7467 -54.0114 -27.5058 764257.3585 18.7431 18.9485 PRESSURE: 3052000 73.8505 -203.109 -209.563 -203.109 97.4567 226.811 -209.563 226.811 64.0258 GPRESSURE: 3052000 106.543 -123.998 -210.292 -119.741 104.028 275.404 -169.357 170.048 110.674 PRESSAVG: 3052000 -26.1804 38.7223 -22.9357 38.7223 -8.1882 65.1246 -22.9356 65.1246 -0.647903 GPRESSAVG: 3052000 -25.3271 38.1431 -23.7458 38.3731 -8.5707 63.9522 -22.9256 66.6631 -1.26627 TIMING: 3052000 CPU: 9639.08, 0.00315835/step Wall: 9639.08, 0.00315835/step, 1.70902 hours remaining, 236.492188 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: 3052000 3994.5880 20459.6147 14377.9602 240.9628 -203199.4837 2656.3123 0.0000 0.0000 52300.4225 -109169.6231 300.5712 -161470.0456 -108796.8519 300.0681 78.4444 107.0815 763163.9704 -11.6722 -11.7214 PRESSURE: 3052200 -50.6957 -184.423 60.6925 -184.423 21.6025 -172.433 60.6916 -172.433 -63.0584 GPRESSURE: 3052200 38.4911 -175.21 13.1797 -140.841 -47.1449 -234.626 48.1712 -20.7221 0.86792 PRESSAVG: 3052200 7.10661 9.48659 17.94 9.48662 33.6576 32.0126 17.94 32.0126 -16.7847 GPRESSAVG: 3052200 5.54069 9.32095 19.7786 10.4873 34.6013 32.6909 17.3525 31.824 -16.1427 TIMING: 3052200 CPU: 9639.71, 0.00315892/step Wall: 9639.71, 0.00315892/step, 1.70915 hours remaining, 236.492188 MB of memory in use. ENERGY: 3052200 4034.3154 20614.0588 14449.4218 234.2622 -202959.2428 2539.8349 0.0000 0.0000 52067.1112 -109020.2387 299.2304 -161087.3498 -108668.3741 299.9032 -30.7172 -2.5953 763295.1637 7.9931 7.9998 LDB: ============= START OF LOAD BALANCING ============== 9652.24 LDB: ============== END OF LOAD BALANCING =============== 9652.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9652.24 LDB: ============= START OF LOAD BALANCING ============== 9652.56 LDB: Largest compute 7076 load 0.032376 is 16.5% of average load 0.195651 LDB: Average compute 0.004362 is 2.2% of average load 0.195651 LDB: TIME 9652.56 LOAD: AVG 0.195651 MAX 0.214103 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.402 MB LDB: TIME 9652.56 LOAD: AVG 0.195651 MAX 0.214103 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: TIME 9652.56 LOAD: AVG 0.195651 MAX 0.214103 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: ============== END OF LOAD BALANCING =============== 9652.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9652.57 PRESSURE: 3052400 -294.772 349.342 -153.895 349.343 40.4946 87.0815 -153.895 87.0813 102.484 GPRESSURE: 3052400 -149.288 284.446 -115.233 343.05 52.63 -24.372 -232.37 185.537 8.26371 PRESSAVG: 3052400 23.2725 11.0155 -15.2051 11.0155 -34.122 23.6266 -15.2051 23.6265 -7.80449 GPRESSAVG: 3052400 24.4751 11.7463 -15.9773 11.1183 -34.6883 23.4372 -14.4329 25.3534 -8.49241 TIMING: 3052400 CPU: 9640.35, 0.00321963/step Wall: 9640.35, 0.00321963/step, 1.74182 hours remaining, 234.882812 MB of memory in use. ENERGY: 3052400 4045.0102 20575.5498 14444.6086 265.1293 -202988.8819 2357.5868 0.0000 0.0000 52344.5829 -108956.4144 300.8250 -161300.9973 -108594.6725 299.7772 -50.5976 -29.4648 762109.1264 -6.2180 -6.2352 PRESSURE: 3052600 -102.522 -21.922 41.57 -21.9222 -231.689 91.8094 41.5695 91.8099 376.446 GPRESSURE: 3052600 -92.3975 69.8358 86.2248 -43.0977 -104.309 156.78 11.5205 106.228 336.379 PRESSAVG: 3052600 14.5809 -0.964682 34.7957 -0.964597 -28.2954 51.2051 34.7957 51.2051 -24.9577 GPRESSAVG: 3052600 13.9439 -1.59354 34.576 -0.571454 -28.7465 52.2057 34.3233 49.2389 -24.0262 TIMING: 3052600 CPU: 9640.98, 0.00314116/step Wall: 9640.98, 0.00314116/step, 1.69919 hours remaining, 235.152344 MB of memory in use. ENERGY: 3052600 3949.5025 20683.2572 14395.0810 251.3526 -203014.0305 2516.0203 0.0000 0.0000 52091.5553 -109127.2615 299.3709 -161218.8168 -108766.3827 300.3852 14.0785 46.5575 760621.0128 -12.8907 -12.9429 PRESSURE: 3052800 58.6801 -102.225 319.357 -102.226 225.903 49.1355 319.358 49.1365 -24.6898 GPRESSURE: 3052800 92.917 -81.5606 297.389 -70.7794 244.317 103.349 118.528 -46.686 -3.20119 PRESSAVG: 3052800 -7.83382 6.27893 64.6291 6.27887 4.95754 3.80913 64.6291 3.80918 42.5795 GPRESSAVG: 3052800 -8.60421 6.1774 63.9648 6.88006 4.8087 2.53587 65.9804 4.05233 43.2186 TIMING: 3052800 CPU: 9641.61, 0.00314681/step Wall: 9641.61, 0.00314681/step, 1.70208 hours remaining, 235.152344 MB of memory in use. ENERGY: 3052800 3982.2556 20489.0165 14364.0610 236.3534 -203046.7692 2377.6961 0.0000 0.0000 52612.9943 -108984.3924 302.3676 -161597.3867 -108609.6839 300.2931 86.6312 111.3442 763540.3842 13.2344 13.1410 PRESSURE: 3053000 -54.5397 -40.3732 128.746 -40.3728 -138.729 -218.581 128.746 -218.58 63.7395 GPRESSURE: 3053000 -62.2 -39.9442 125.788 64.1533 -106.449 -213.076 172.157 -183.346 119.136 PRESSAVG: 3053000 17.395 -51.1816 29.569 -51.1816 15.5978 57.0613 29.569 57.0613 -32.1295 GPRESSAVG: 3053000 18.4925 -50.3623 29.0835 -51.8323 14.6525 56.5527 28.8185 56.5932 -32.6631 TIMING: 3053000 CPU: 9642.24, 0.00313866/step Wall: 9642.24, 0.00313866/step, 1.69749 hours remaining, 235.152344 MB of memory in use. ENERGY: 3053000 3998.7708 20911.7409 14422.3138 263.1713 -203119.3418 2429.7088 0.0000 0.0000 51913.9192 -109179.7169 298.3500 -161093.6361 -108833.9145 300.1550 -43.1765 -16.5043 761067.1231 0.2877 0.1606 PRESSURE: 3053200 -222.368 7.52379 75.2346 7.52365 -18.7404 17.0102 75.2348 17.0106 -163.826 GPRESSURE: 3053200 -162.903 18.339 68.149 -17.3556 11.3889 51.5033 -21.4096 -51.3729 -153.71 PRESSAVG: 3053200 -30.7566 -39.5835 6.94737 -39.5835 -17.7181 3.18339 6.94745 3.18337 6.3082 GPRESSAVG: 3053200 -31.0135 -38.6959 8.07166 -38.9875 -16.5661 2.87565 6.74969 4.43315 5.78421 TIMING: 3053200 CPU: 9642.87, 0.00314678/step Wall: 9642.87, 0.00314678/step, 1.70171 hours remaining, 235.152344 MB of memory in use. ENERGY: 3053200 4029.4272 20554.0082 14450.3743 250.7247 -203007.0612 2594.6516 0.0000 0.0000 52341.4973 -108786.3779 300.8073 -161127.8752 -108423.2925 300.3623 -134.9784 -101.7412 764122.9798 -14.0555 -13.9318 PRESSURE: 3053400 -80.5456 -259.225 -103.864 -259.225 -151.796 -131.124 -103.864 -131.124 254.995 GPRESSURE: 3053400 -148.879 -223.236 -107.166 -156.261 17.8044 -108.385 -25.7561 -183.184 241.971 PRESSAVG: 3053400 44.8696 -7.48129 47.8534 -7.48132 11.7949 -62.4346 47.8533 -62.4346 -23.0443 GPRESSAVG: 3053400 45.2011 -8.8875 45.9357 -7.20453 11.2274 -62.3519 48.5171 -61.6255 -22.9589 TIMING: 3053400 CPU: 9643.5, 0.00316742/step Wall: 9643.5, 0.00316742/step, 1.71269 hours remaining, 235.152344 MB of memory in use. ENERGY: 3053400 3937.8058 20755.4326 14381.2503 258.3974 -202619.1055 2219.8575 0.0000 0.0000 52146.1782 -108920.1836 299.6848 -161066.3619 -108556.7619 300.7933 7.5511 36.9654 763909.9773 11.2067 11.1565 PRESSURE: 3053600 -90.0214 135.628 222.096 135.628 -229.194 180.07 222.096 180.07 -128.198 GPRESSURE: 3053600 -118.221 50.4462 187.421 188.018 -120.731 138.987 110.625 207.859 -130.62 PRESSAVG: 3053600 -49.0736 -36.7501 -2.30919 -36.7501 47.4717 -6.02266 -2.30915 -6.02269 -23.096 GPRESSAVG: 3053600 -49.2873 -36.4075 -0.928611 -35.3497 47.6984 -8.23352 -3.9822 -6.05988 -23.0486 TIMING: 3053600 CPU: 9644.13, 0.00316934/step Wall: 9644.13, 0.00316934/step, 1.71356 hours remaining, 235.152344 MB of memory in use. ENERGY: 3053600 3988.5822 20561.3342 14408.6089 231.6477 -202832.5695 2361.2691 0.0000 0.0000 52319.7437 -108961.3837 300.6823 -161281.1274 -108593.7931 300.0456 -149.1379 -123.1908 762932.8151 -8.2326 -8.2125 PRESSURE: 3053800 -241.888 22.2253 -177.643 22.225 -65.9444 171.487 -177.643 171.487 -306.11 GPRESSURE: 3053800 -155.682 -6.65269 -174.488 -54.6638 -16.368 115.623 -192.412 206.12 -372.455 PRESSAVG: 3053800 -0.359025 -28.1851 13.4345 -28.185 -1.17728 -26.2815 13.4346 -26.2814 -15.5973 GPRESSAVG: 3053800 -0.64111 -27.9088 12.9371 -32.7218 -0.378621 -24.8659 15.583 -28.0304 -16.4997 TIMING: 3053800 CPU: 9644.77, 0.00319782/step Wall: 9644.77, 0.00319782/step, 1.72878 hours remaining, 235.152344 MB of memory in use. ENERGY: 3053800 3978.4038 20633.5437 14398.4269 240.7553 -203038.6157 2636.9558 0.0000 0.0000 52152.1677 -108998.3625 299.7192 -161150.5302 -108645.0946 300.3727 -204.6475 -181.5016 762223.0443 -5.7112 -5.8398 PRESSURE: 3054000 56.7065 3.80212 -34.7397 3.80172 289.47 42.3198 -34.7404 42.3196 -648.466 GPRESSURE: 3054000 89.9944 18.7542 21.812 22.343 254.545 -13.8505 -2.97609 88.8145 -572.631 PRESSAVG: 3054000 -16.0782 9.19514 -59.4341 9.1951 2.44458 11.0675 -59.4341 11.0675 21.7555 GPRESSAVG: 3054000 -15.4181 9.31122 -60.1381 12.3919 1.52369 11.0483 -59.062 12.264 21.9247 TIMING: 3054000 CPU: 9645.41, 0.00317003/step Wall: 9645.41, 0.00317003/step, 1.71358 hours remaining, 235.152344 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: 3054000 3988.2998 20862.8049 14304.1776 273.1953 -203166.7030 2522.7660 0.0000 0.0000 52223.7081 -108991.7512 300.1304 -161215.4593 -108634.6878 299.8800 -100.7631 -76.0305 761722.9306 2.7073 2.6768 PRESSURE: 3054200 -332.753 -204.767 38.4094 -204.767 -181.12 -144.304 38.4092 -144.304 -117.34 GPRESSURE: 3054200 -239.258 -93.7741 57.613 -91.5874 -158.958 -34.6142 -55.1634 -183.513 -162.68 PRESSAVG: 3054200 -2.19363 2.76359 -13.1164 2.76352 -38.1687 -29.0347 -13.1163 -29.0346 -24.7786 GPRESSAVG: 3054200 -2.70809 3.57785 -11.5259 2.01226 -38.3481 -30.1222 -15.3471 -28.5559 -24.2725 TIMING: 3054200 CPU: 9646.04, 0.00316403/step Wall: 9646.04, 0.00316403/step, 1.71016 hours remaining, 235.152344 MB of memory in use. ENERGY: 3054200 3992.8860 20655.2963 14333.3436 247.7718 -202687.5486 2148.4988 0.0000 0.0000 52228.9522 -109080.8000 300.1605 -161309.7522 -108711.2332 300.4194 -210.4042 -186.9651 762044.6207 -21.7136 -21.7762 PRESSURE: 3054400 150.139 -31.2597 126.351 -31.2596 -139.816 -305.263 126.351 -305.265 -256.84 GPRESSURE: 3054400 99.2944 15.544 129.093 -6.03799 -58.9937 -272.548 67.564 -321.73 -192.59 PRESSAVG: 3054400 10.4664 -2.84771 25.5481 -2.8477 19.5404 -34.6525 25.5481 -34.6524 -12.9012 GPRESSAVG: 3054400 9.63859 -3.844 25.2733 0.183812 19.4842 -32.9743 25.2426 -35.6955 -12.2886 TIMING: 3054400 CPU: 9646.67, 0.00316556/step Wall: 9646.67, 0.00316556/step, 1.71081 hours remaining, 235.152344 MB of memory in use. ENERGY: 3054400 3942.9016 20659.9288 14344.5010 254.8555 -203040.3292 2335.2305 0.0000 0.0000 52252.7823 -109250.1293 300.2975 -161502.9117 -108888.6076 299.9089 -82.1726 -50.7631 760661.3995 5.7019 5.6114 PRESSURE: 3054600 132.641 -65.4606 60.4908 -65.4608 174.749 34.1718 60.4913 34.1717 217.365 GPRESSURE: 3054600 125.985 -135.496 47.3205 -144.799 227.572 15.9202 18.8499 -143.105 250.887 PRESSAVG: 3054600 -36.3079 -2.66619 32.0571 -2.66611 15.9808 -11.2861 32.0571 -11.2862 -7.11093 GPRESSAVG: 3054600 -35.8829 -3.46335 33.0352 -4.8358 16.7752 -10.7917 32.4129 -10.2517 -8.32052 TIMING: 3054600 CPU: 9647.31, 0.00316516/step Wall: 9647.31, 0.00316516/step, 1.71042 hours remaining, 235.152344 MB of memory in use. ENERGY: 3054600 3969.8049 20671.4543 14387.4092 246.5156 -203324.1968 2586.2690 0.0000 0.0000 52206.5948 -109256.1491 300.0320 -161462.7439 -108900.3247 299.5767 174.9186 201.4814 761214.4837 -9.1460 -9.1427 PRESSURE: 3054800 156.462 230.203 -29.0361 230.204 -111.841 8.73548 -29.0365 8.73406 -249.924 GPRESSURE: 3054800 3.27066 62.3294 -26.9312 242.07 51.8636 -49.0213 -30.224 -50.7962 -173.087 PRESSAVG: 3054800 8.70946 20.0821 19.9568 20.0822 2.56296 26.1173 19.9568 26.1173 13.1114 GPRESSAVG: 3054800 6.19882 21.5156 19.3969 19.3487 4.01084 25.1379 21.1497 24.9362 14.6049 TIMING: 3054800 CPU: 9647.94, 0.00315672/step Wall: 9647.94, 0.00315672/step, 1.70568 hours remaining, 235.152344 MB of memory in use. ENERGY: 3054800 3983.8496 20516.3640 14348.9160 235.7219 -203240.9405 2621.1161 0.0000 0.0000 52295.3834 -109239.5896 300.5423 -161534.9729 -108874.1509 299.4784 -68.4346 -39.3177 759603.6689 8.1279 8.2715 PRESSURE: 3055000 176.814 -185.448 -169.852 -185.448 -363.755 -104.931 -169.851 -104.931 -76.4557 GPRESSURE: 3055000 72.8392 -165.794 -248.872 -238.744 -237.121 -202.516 -1.1923 -164.398 -36.0857 PRESSAVG: 3055000 -1.70113 23.1369 -26.6068 23.1369 -1.03991 -9.18958 -26.6068 -9.18966 -17.7902 GPRESSAVG: 3055000 0.190764 22.6739 -27.2468 22.9338 -2.32491 -9.18951 -27.6423 -10.4149 -18.0914 TIMING: 3055000 CPU: 9648.57, 0.00318152/step Wall: 9648.57, 0.00318152/step, 1.7189 hours remaining, 235.152344 MB of memory in use. ENERGY: 3055000 3998.4206 20604.8956 14335.5693 256.5321 -203136.0101 2482.6783 0.0000 0.0000 52271.7089 -109186.2052 300.4062 -161457.9141 -108818.3909 299.8787 -87.7989 -66.7893 761610.0598 -6.8437 -6.7419 PRESSURE: 3055200 287.602 -27.197 108.245 -27.1967 -280.825 -17.029 108.245 -17.0293 209.716 GPRESSURE: 3055200 317.736 54.6808 117.019 -39.3223 -200.73 -35.366 31.2251 142.914 175.464 PRESSAVG: 3055200 21.9553 -4.82257 12.452 -4.82259 18.8451 -4.96202 12.452 -4.96202 -19.8279 GPRESSAVG: 3055200 21.783 -4.54958 11.5903 -4.90682 20.444 -4.24841 13.9362 -4.71734 -20.752 TIMING: 3055200 CPU: 9649.21, 0.00317054/step Wall: 9649.21, 0.00317054/step, 1.7128 hours remaining, 235.140625 MB of memory in use. ENERGY: 3055200 3962.8084 20763.9548 14438.5255 235.0626 -202869.7442 2369.9793 0.0000 0.0000 52018.2031 -109081.2104 298.9493 -161099.4136 -108714.3425 300.0205 72.1643 97.4900 761797.1402 6.9908 7.1583 PRESSURE: 3055400 203.543 -5.97078 15.7454 -5.97066 148.502 -114.111 15.7457 -114.112 370.034 GPRESSURE: 3055400 225.984 -32.2836 60.2406 -9.53392 253.221 -86.8695 100.695 -10.3407 333.001 PRESSAVG: 3055400 3.69587 35.1572 -41.8591 35.1572 -17.6565 29.2877 -41.8591 29.2876 -0.853329 GPRESSAVG: 3055400 4.61962 33.8684 -40.6451 38.0814 -18.5997 28.5033 -41.6964 31.0654 -0.511758 TIMING: 3055400 CPU: 9649.84, 0.00315887/step Wall: 9649.84, 0.00315887/step, 1.70632 hours remaining, 235.140625 MB of memory in use. ENERGY: 3055400 4015.1330 20553.6785 14430.8635 249.8325 -203542.1968 2721.0234 0.0000 0.0000 52328.1776 -109243.4882 300.7308 -161571.6658 -108876.3734 300.2208 240.6929 270.7351 759429.6750 -4.9380 -4.8306 PRESSURE: 3055600 47.959 -106.548 161.304 -106.547 -178.276 166.928 161.304 166.927 539.457 GPRESSURE: 3055600 101.214 -84.7061 151.134 -154.51 -138.188 110.516 191.798 85.0751 541.103 PRESSAVG: 3055600 -9.71745 14.8204 31.414 14.8205 5.02305 52.7882 31.4141 52.7882 12.6053 GPRESSAVG: 3055600 -8.83289 15.4415 31.9448 13.5918 3.59743 53.2605 28.8574 51.858 13.0355 TIMING: 3055600 CPU: 9650.47, 0.00317285/step Wall: 9650.47, 0.00317285/step, 1.71369 hours remaining, 235.140625 MB of memory in use. ENERGY: 3055600 4020.1441 20571.5073 14388.3974 266.9641 -203393.9313 2739.8762 0.0000 0.0000 52009.6079 -109397.4344 298.8999 -161407.0423 -109036.7180 299.2763 136.3799 168.0427 760640.8332 2.6370 2.6000 PRESSURE: 3055800 -174.224 8.42726 66.5235 8.42732 -419.076 109.397 66.5236 109.397 -0.585054 GPRESSURE: 3055800 -141.682 133.066 28.7407 15.8437 -512.019 22.7855 231.969 -29.2738 125.683 PRESSAVG: 3055800 32.0882 79.6422 -14.352 79.6422 -21.1544 27.2286 -14.352 27.2286 -5.57192 GPRESSAVG: 3055800 31.4101 78.9924 -15.3279 80.3615 -20.1136 27.4939 -10.9774 28.0861 -5.54111 TIMING: 3055800 CPU: 9651.11, 0.0031582/step Wall: 9651.11, 0.0031582/step, 1.70561 hours remaining, 235.140625 MB of memory in use. ENERGY: 3055800 3938.5942 20506.6213 14349.9661 245.4064 -203540.1759 2653.7899 0.0000 0.0000 52225.9443 -109619.8538 300.1432 -161845.7981 -109252.8309 298.5597 -197.9618 -176.0057 762029.6188 1.7873 1.9185 PRESSURE: 3056000 206.467 89.2697 -232.519 89.2698 -237.91 -63.1424 -232.52 -63.1424 76.447 GPRESSURE: 3056000 232.501 196.164 -149.25 193.589 -146.353 -93.0269 -335.944 9.77015 58.3677 PRESSAVG: 3056000 35.1642 14.59 -21.1808 14.59 -14.1338 -18.8061 -21.1809 -18.8061 19.5294 GPRESSAVG: 3056000 36.0926 15.6117 -20.166 12.9668 -14.5432 -19.7858 -23.4383 -18.9143 19.4321 TIMING: 3056000 CPU: 9651.74, 0.00316857/step Wall: 9651.74, 0.00316857/step, 1.71103 hours remaining, 235.140625 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: 3056000 3987.9918 20504.6788 14313.6447 245.3750 -203405.3532 2838.4098 0.0000 0.0000 51773.4024 -109741.8507 297.5425 -161515.2531 -109391.9500 298.7290 15.0014 48.1719 761546.8908 13.5199 13.6605 PRESSURE: 3056200 -24.0259 93.1149 -5.44595 93.1149 -182.046 -120.352 -5.44581 -120.352 -221.3 GPRESSURE: 3056200 -11.4115 195.025 -2.21105 113.856 -181.839 -13.649 2.28661 -118.176 -176.708 PRESSAVG: 3056200 -33.5272 21.8372 4.5645 21.8372 10.2045 -50.061 4.56451 -50.061 16.9729 GPRESSAVG: 3056200 -33.4126 19.2292 4.65743 21.6982 10.6348 -49.6225 5.9784 -51.7699 16.5269 TIMING: 3056200 CPU: 9652.37, 0.00316295/step Wall: 9652.37, 0.00316295/step, 1.70782 hours remaining, 235.140625 MB of memory in use. ENERGY: 3056200 4077.5890 20493.9046 14325.5298 258.2474 -203367.8993 2509.7145 0.0000 0.0000 52216.9906 -109485.9236 300.0918 -161702.9141 -109117.1650 299.3588 -142.4571 -123.3197 762237.9048 -2.1166 -2.0836 LDB: ============= START OF LOAD BALANCING ============== 9664.9 LDB: ============== END OF LOAD BALANCING =============== 9664.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9664.9 LDB: ============= START OF LOAD BALANCING ============== 9665.22 LDB: Largest compute 7068 load 0.030846 is 15.8% of average load 0.195586 LDB: Average compute 0.004340 is 2.2% of average load 0.195586 LDB: TIME 9665.22 LOAD: AVG 0.195586 MAX 0.21784 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.176 MB LDB: TIME 9665.22 LOAD: AVG 0.195586 MAX 0.21784 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.176 MB LDB: TIME 9665.22 LOAD: AVG 0.195586 MAX 0.21784 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.176 MB LDB: ============== END OF LOAD BALANCING =============== 9665.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9665.23 PRESSURE: 3056400 -44.1147 29.1239 96.5587 29.1236 -207.888 -91.8498 96.5579 -91.8493 216.979 GPRESSURE: 3056400 -3.591 -16.7985 49.5099 5.21534 -204.128 -123.078 177.989 -67.6916 229.933 PRESSAVG: 3056400 -30.8957 34.5466 -15.076 34.5467 34.961 -62.9115 -15.0761 -62.9114 -13.0474 GPRESSAVG: 3056400 -32.101 34.254 -16.3222 37.8838 36.1523 -63.771 -15.2051 -61.1415 -13.2818 TIMING: 3056400 CPU: 9653.01, 0.00320939/step Wall: 9653.01, 0.00320939/step, 1.73271 hours remaining, 236.421875 MB of memory in use. ENERGY: 3056400 4001.6005 20489.7716 14328.9754 230.8503 -203482.6423 2724.5107 0.0000 0.0000 52106.2613 -109600.6725 299.4554 -161706.9338 -109235.8336 298.9360 -11.6747 7.4049 762223.5326 -2.9940 -3.0768 PRESSURE: 3056600 -109.225 124.913 -351.685 124.913 -402.646 67.5312 -351.685 67.5313 -86.9396 GPRESSURE: 3056600 -180.016 141.908 -296.084 26.2847 -269.346 90.4617 -290.126 -60.6431 -49.0008 PRESSAVG: 3056600 27.2744 -3.5174 -15.682 -3.51735 -48.3253 -41.1066 -15.6819 -41.1066 12.5665 GPRESSAVG: 3056600 27.2113 -2.27776 -15.6208 -7.22303 -47.9339 -41.0779 -14.6796 -41.8494 13.0362 TIMING: 3056600 CPU: 9653.64, 0.00315173/step Wall: 9653.64, 0.00315173/step, 1.70141 hours remaining, 236.625000 MB of memory in use. ENERGY: 3056600 4029.6808 20668.0245 14380.1282 241.1310 -202829.2722 2008.9779 0.0000 0.0000 52039.2080 -109462.1217 299.0700 -161501.3297 -109104.0833 299.2314 -199.6034 -166.1210 761800.5209 -2.8281 -2.5621 PRESSURE: 3056800 -227.162 -307.223 156.548 -307.222 -374.962 -6.4816 156.547 -6.48223 -296.138 GPRESSURE: 3056800 -150.001 -304.753 90.0659 -276.487 -310.029 -17.9046 115.721 46.0743 -329.677 PRESSAVG: 3056800 -8.1313 -61.117 -14.3476 -61.117 22.6657 -40.8561 -14.3476 -40.856 12.6866 GPRESSAVG: 3056800 -7.59663 -62.0641 -16.27 -61.3492 21.1738 -40.3187 -12.887 -38.8681 13.9881 TIMING: 3056800 CPU: 9654.27, 0.0031544/step Wall: 9654.27, 0.0031544/step, 1.70267 hours remaining, 236.625000 MB of memory in use. ENERGY: 3056800 4005.9633 20364.1386 14426.0418 246.5278 -203204.2219 2583.8769 0.0000 0.0000 52134.7988 -109442.8748 299.6194 -161577.6736 -109072.4094 299.8504 -299.4205 -263.2357 761921.1325 9.0737 9.1884 PRESSURE: 3057000 146.13 264.737 29.7922 264.737 -133.687 -144.712 29.7921 -144.711 234.683 GPRESSURE: 3057000 165.963 156.907 -63.556 279.928 -30.2335 21.9924 113.755 -68.263 217.593 PRESSAVG: 3057000 -12.3802 -20.8461 -24.6709 -20.8461 -8.06335 20.7458 -24.6709 20.7458 -3.80599 GPRESSAVG: 3057000 -12.7749 -19.0003 -22.1693 -19.0143 -6.55501 22.1002 -27.0874 16.9951 -4.30778 TIMING: 3057000 CPU: 9654.91, 0.0031683/step Wall: 9654.91, 0.0031683/step, 1.71 hours remaining, 236.625000 MB of memory in use. ENERGY: 3057000 4069.3367 20377.1476 14338.6274 225.3464 -203134.2701 2373.0899 0.0000 0.0000 52162.1329 -109588.5892 299.7765 -161750.7221 -109226.4184 299.2278 82.3754 117.7740 759476.1983 -8.0832 -7.8792 PRESSURE: 3057200 -176.368 2.03977 199.448 2.03956 -55.0556 47.6137 199.449 47.6135 9.52684 GPRESSURE: 3057200 -97.6419 -9.14721 190.414 31.3057 -13.6574 42.4757 143.494 79.7822 -34.8342 PRESSAVG: 3057200 -66.5509 -41.6126 41.8913 -41.6127 24.8373 -16.4871 41.8913 -16.4871 -28.0125 GPRESSAVG: 3057200 -66.4378 -43.3224 41.2229 -41.5372 24.486 -16.9901 41.0023 -15.4227 -27.3823 TIMING: 3057200 CPU: 9655.54, 0.0031621/step Wall: 9655.54, 0.0031621/step, 1.70648 hours remaining, 236.625000 MB of memory in use. ENERGY: 3057200 3993.8210 20579.7008 14337.4183 248.9025 -203184.2484 2251.4020 0.0000 0.0000 52160.9892 -109612.0146 299.7699 -161773.0038 -109238.4456 299.0260 -73.9657 -48.7112 759780.0042 -23.2420 -23.1114 PRESSURE: 3057400 219.54 -20.181 79.1179 -20.1818 431.74 -183.878 79.1164 -183.878 401.184 GPRESSURE: 3057400 255.171 -26.0839 70.413 -17.6721 527.569 -109.062 108.449 -124.312 368.702 PRESSAVG: 3057400 0.986145 -27.6394 14.3233 -27.6394 18.2649 51.2673 14.3234 51.2672 2.57802 GPRESSAVG: 3057400 1.6855 -26.0293 15.3004 -29.0321 17.9256 50.8019 13.9518 52.5793 2.26945 TIMING: 3057400 CPU: 9656.17, 0.00314917/step Wall: 9656.17, 0.00314917/step, 1.69933 hours remaining, 236.625000 MB of memory in use. ENERGY: 3057400 4014.1147 20396.0912 14281.6441 246.6388 -203492.3211 2604.2072 0.0000 0.0000 52258.5929 -109691.0321 300.3309 -161949.6250 -109324.8276 299.2595 350.8213 383.8140 757153.6257 7.2764 7.2935 PRESSURE: 3057600 -48.3844 -68.52 -158.976 -68.5207 3.26081 1.37697 -158.976 1.3764 619.327 GPRESSURE: 3057600 23.8945 -161.956 -125.677 -175.033 -19.2315 -38.3815 -191.754 -32.3614 646.642 PRESSAVG: 3057600 6.17411 -14.8843 -17.0492 -14.8843 18.8668 14.1719 -17.0493 14.1719 -8.22046 GPRESSAVG: 3057600 6.64334 -16.2778 -17.1875 -16.0288 18.1266 14.8241 -15.9174 13.7791 -7.71641 TIMING: 3057600 CPU: 9656.8, 0.00316394/step Wall: 9656.8, 0.00316394/step, 1.70712 hours remaining, 236.625000 MB of memory in use. ENERGY: 3057600 3937.6229 20491.4496 14413.2900 240.6104 -203205.7998 2591.6778 0.0000 0.0000 52022.9871 -109508.1620 298.9768 -161531.1491 -109137.5716 299.5822 191.4010 217.1017 760997.1798 5.6068 5.6845 PRESSURE: 3057800 36.2486 -13.8078 113.196 -13.8089 35.5065 46.9411 113.195 46.9412 133.371 GPRESSURE: 3057800 96.871 -119.75 115.189 60.5303 82.7211 69.864 -15.6339 130.836 118.615 PRESSAVG: 3057800 18.0121 -56.6768 -16.4286 -56.6768 -11.3832 4.58241 -16.4286 4.58241 -6.05988 GPRESSAVG: 3057800 16.9187 -56.8568 -17.9989 -53.0083 -9.54281 3.74534 -15.0765 4.72085 -6.75457 TIMING: 3057800 CPU: 9657.43, 0.00314817/step Wall: 9657.43, 0.00314817/step, 1.69844 hours remaining, 236.625000 MB of memory in use. ENERGY: 3057800 3943.6537 20565.4447 14334.6130 244.9285 -203409.8062 2661.6881 0.0000 0.0000 52237.7747 -109421.7036 300.2112 -161659.4783 -109054.9698 299.2541 68.3754 99.4022 760331.0042 0.1897 0.2071 PRESSURE: 3058000 204.792 -107.133 -194.941 -107.134 140.308 -402.948 -194.941 -402.947 273.945 GPRESSURE: 3058000 211.857 -20.8966 -87.2497 -43.9338 200.682 -433.413 -204.643 -369.901 270.863 PRESSAVG: 3058000 7.41836 29.8965 -30.4111 29.8965 -26.0313 -77.0051 -30.4112 -77.0051 -10.6615 GPRESSAVG: 3058000 7.45562 31.7553 -29.331 28.2326 -26.2547 -76.6923 -33.3866 -77.4883 -10.6744 TIMING: 3058000 CPU: 9658.06, 0.00314684/step Wall: 9658.06, 0.00314684/step, 1.69754 hours remaining, 236.625000 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: 3058000 3926.5762 20509.2073 14400.9841 248.8187 -203233.6378 2544.9544 0.0000 0.0000 52295.7235 -109307.3737 300.5442 -161603.0972 -108936.9469 299.5826 206.3481 227.8008 760143.0538 -9.7581 -9.8245 PRESSURE: 3058200 -311.623 -133.325 224.812 -133.325 -377.522 -180.712 224.812 -180.713 -396.857 GPRESSURE: 3058200 -320.334 -72.6363 214.12 -126.047 -345.73 -202.251 125.329 -203.121 -332.481 PRESSAVG: 3058200 30.2743 39.5237 -14.8381 39.5237 -10.0077 -18.7968 -14.838 -18.7967 -21.7063 GPRESSAVG: 3058200 29.7526 39.1183 -15.0078 38.729 -9.9019 -18.2828 -13.7429 -17.4997 -21.1539 TIMING: 3058200 CPU: 9658.69, 0.003155/step Wall: 9658.69, 0.003155/step, 1.70177 hours remaining, 236.625000 MB of memory in use. ENERGY: 3058200 4033.3860 20581.0155 14275.0950 230.1726 -203337.0365 2466.3127 0.0000 0.0000 52130.4456 -109620.6091 299.5944 -161751.0547 -109256.7190 300.1464 -362.0004 -332.8481 761511.2909 -0.4799 -0.4344 PRESSURE: 3058400 -29.3887 -160.098 46.3175 -160.097 -245.281 1.70438 46.3162 1.70451 212.904 GPRESSURE: 3058400 88.1569 -198.382 13.8882 -143.486 -318.177 -5.87597 -42.3985 35.1922 240.636 PRESSAVG: 3058400 -35.9981 45.0386 -3.70663 45.0386 4.34541 -58.1355 -3.70654 -58.1355 10.5106 GPRESSAVG: 3058400 -34.6586 44.2767 -4.20081 45.5755 4.51198 -56.9815 -3.075 -60.6819 9.27473 TIMING: 3058400 CPU: 9659.33, 0.00317716/step Wall: 9659.33, 0.00317716/step, 1.71355 hours remaining, 236.625000 MB of memory in use. ENERGY: 3058400 4068.9608 20545.5758 14308.0000 243.8626 -203642.1994 2490.0476 0.0000 0.0000 52064.4206 -109921.3319 299.2149 -161985.7525 -109557.6570 299.3697 -20.5889 3.5388 758959.1884 -7.0474 -6.9573 PRESSURE: 3058600 23.3476 127.423 -327.383 127.423 38.583 103.835 -327.382 103.836 -67.4105 GPRESSURE: 3058600 147.44 106.344 -271.907 20.984 41.3963 124.339 -238.5 49.9582 -103.017 PRESSAVG: 3058600 7.64686 5.79902 18.2813 5.79899 -16.6169 -76.7663 18.2813 -76.7663 18.9192 GPRESSAVG: 3058600 7.2066 6.02732 19.0915 5.18259 -16.5374 -77.7894 17.6941 -73.8332 18.7706 TIMING: 3058600 CPU: 9659.96, 0.00315368/step Wall: 9659.96, 0.00315368/step, 1.70071 hours remaining, 236.625000 MB of memory in use. ENERGY: 3058600 3972.8133 20656.2915 14397.0841 249.6506 -203742.4076 2565.4161 0.0000 0.0000 52066.9045 -109834.2475 299.2292 -161901.1520 -109470.5542 298.8051 -1.8266 28.6065 758797.0953 3.3164 3.1466 PRESSURE: 3058800 168.762 152.587 92.9068 152.588 7.84415 -108.821 92.9068 -108.822 372.613 GPRESSURE: 3058800 192.64 60.2331 -14.7726 131.554 62.3304 -126.791 183.05 -68.5334 379.64 PRESSAVG: 3058800 -11.2997 -43.301 16.4197 -43.3009 6.64928 -63.8655 16.4196 -63.8656 17.077 GPRESSAVG: 3058800 -10.6853 -43.106 15.6901 -41.8493 5.47389 -65.1422 17.531 -63.9454 18.2765 TIMING: 3058800 CPU: 9660.59, 0.0031592/step Wall: 9660.59, 0.0031592/step, 1.70351 hours remaining, 236.625000 MB of memory in use. ENERGY: 3058800 3997.4072 20639.3271 14379.4262 246.3265 -203605.3646 2589.0775 0.0000 0.0000 51992.0446 -109761.7555 298.7990 -161753.8002 -109404.1831 299.2044 183.0733 211.5368 758535.5039 4.1422 4.3550 PRESSURE: 3059000 359.645 35.9134 -121.401 35.9125 342.531 -9.48945 -121.401 -9.48973 -247.709 GPRESSURE: 3059000 290.535 194.594 -193.527 106.059 332.757 -28.5836 -110.174 71.3634 -107.526 PRESSAVG: 3059000 -9.93457 -9.05574 -21.74 -9.05577 -0.27569 -88.2463 -21.74 -88.2464 20.3074 GPRESSAVG: 3059000 -10.4185 -9.13068 -20.7038 -11.2539 1.08734 -88.8361 -23.6223 -88.1165 19.5742 TIMING: 3059000 CPU: 9661.22, 0.00316619/step Wall: 9661.22, 0.00316619/step, 1.7071 hours remaining, 236.625000 MB of memory in use. ENERGY: 3059000 3998.8531 20648.4658 14343.6656 246.2290 -204107.3950 2947.0155 0.0000 0.0000 51959.3622 -109963.8038 298.6112 -161923.1660 -109604.3634 298.4769 151.4889 171.9220 760242.1517 3.3657 3.4143 PRESSURE: 3059200 -103.809 155.829 -1.00318 155.829 -241.502 136.356 -1.0035 136.357 -326.781 GPRESSURE: 3059200 -82.9482 161.65 15.2218 18.4632 -179.687 139.091 -144.462 157.596 -315.595 PRESSAVG: 3059200 -9.88752 10.2152 -50.4687 10.2152 56.2186 -43.3251 -50.4687 -43.3251 36.4952 GPRESSAVG: 3059200 -10.2588 10.5069 -49.2149 11.0663 56.546 -41.403 -50.0758 -43.7942 36.4918 TIMING: 3059200 CPU: 9661.86, 0.00316098/step Wall: 9661.86, 0.00316098/step, 1.70412 hours remaining, 236.625000 MB of memory in use. ENERGY: 3059200 3987.9079 20484.8367 14408.9081 244.6652 -203095.4758 2313.5351 0.0000 0.0000 51884.5087 -109771.1141 298.1810 -161655.6227 -109407.8947 298.6243 -224.0309 -192.7435 759418.4863 27.6088 27.5930 PRESSURE: 3059400 -285.447 196.994 10.22 196.994 -340.243 -63.1667 10.2192 -63.1659 -70.5574 GPRESSURE: 3059400 -233.268 106.293 10.0629 152.322 -286.473 -81.9351 -31.9494 -45.4326 -83.0651 PRESSAVG: 3059400 -29.9099 4.59363 -37.0922 4.59368 29.7367 -24.7754 -37.0922 -24.7754 -7.18356 GPRESSAVG: 3059400 -29.581 1.80684 -38.3893 7.15512 28.3848 -25.9168 -37.6485 -24.6267 -6.17908 TIMING: 3059400 CPU: 9662.49, 0.00315061/step Wall: 9662.49, 0.00315061/step, 1.69836 hours remaining, 236.625000 MB of memory in use. ENERGY: 3059400 4008.5430 20640.7229 14422.1425 238.8466 -203641.6851 2476.9304 0.0000 0.0000 52166.8234 -109687.6763 299.8035 -161854.4996 -109325.1583 299.7393 -232.0827 -200.9353 759057.0906 -2.4523 -2.4584 PRESSURE: 3059600 312.304 12.6238 59.2033 12.623 184.18 -283.888 59.2034 -283.887 -259.542 GPRESSURE: 3059600 329.83 41.5513 89.7335 17.6438 176.16 -266.369 164.182 -220.79 -190.078 PRESSAVG: 3059600 -21.4523 7.18417 -23.5244 7.18417 17.5405 24.3426 -23.5244 24.3426 -9.72069 GPRESSAVG: 3059600 -20.9326 10.6526 -24.7416 3.84526 18.6506 24.0996 -21.6334 23.6161 -11.0127 TIMING: 3059600 CPU: 9663.12, 0.00314269/step Wall: 9663.12, 0.00314269/step, 1.69391 hours remaining, 236.625000 MB of memory in use. ENERGY: 3059600 4048.7881 20539.4910 14435.0913 238.0257 -202917.7392 2381.2930 0.0000 0.0000 51642.6647 -109632.3853 296.7911 -161275.0500 -109274.3439 299.0839 78.9806 105.3040 759524.0152 -4.5442 -4.4316 PRESSURE: 3059800 -180.738 3.38967 -137.466 3.38941 -179.467 104.464 -137.465 104.465 27.428 GPRESSURE: 3059800 -192.612 -111.563 -114.66 10.4995 -190.837 52.6044 -91.4928 116.145 131.75 PRESSAVG: 3059800 58.2799 -47.1054 -28.1549 -47.1054 -34.955 -2.29213 -28.1549 -2.29217 5.4832 GPRESSAVG: 3059800 58.3252 -49.8164 -26.3303 -43.9399 -34.7735 -1.56411 -28.0952 -1.75502 5.75024 TIMING: 3059800 CPU: 9663.75, 0.00314934/step Wall: 9663.75, 0.00314934/step, 1.69732 hours remaining, 236.625000 MB of memory in use. ENERGY: 3059800 4008.1771 20541.5334 14426.5748 255.0079 -203253.6403 2203.6578 0.0000 0.0000 52177.7611 -109640.9281 299.8663 -161818.6892 -109275.9288 298.9506 -110.9257 -83.8996 759087.6709 9.6027 9.7673 PRESSURE: 3060000 -38.0431 -57.2297 -39.0135 -57.2289 -312.349 94.3959 -39.0135 94.3957 123.081 GPRESSURE: 3060000 -108.211 -58.8068 -93.9576 -87.2866 -154.635 132.625 -73.8943 73.8509 115.32 PRESSAVG: 3060000 4.33965 -18.4283 -13.9617 -18.4283 -20.1771 -73.3323 -13.9617 -73.3323 -21.9653 GPRESSAVG: 3060000 4.03662 -17.6693 -14.4759 -19.1205 -20.0833 -73.1881 -17.9308 -74.9565 -21.9806 TIMING: 3060000 CPU: 9664.38, 0.00314743/step Wall: 9664.38, 0.00314743/step, 1.69611 hours remaining, 236.625000 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: 3060000 4020.1357 20350.6798 14416.1646 251.8650 -203170.9801 2440.0516 0.0000 0.0000 51946.7170 -109745.3664 298.5385 -161692.0834 -109385.2179 298.7452 -75.7705 -49.1755 760123.1503 -12.6009 -12.6758 PRESSURE: 3060200 -44.9693 180.732 11.343 180.732 347.736 -363.651 11.3427 -363.653 145.863 GPRESSURE: 3060200 -59.8676 82.3715 -37.2741 160.838 390.734 -341.232 115.353 -279.624 198.625 PRESSAVG: 3060200 -53.4347 -10.4432 -79.6284 -10.4432 62.0912 -38.7337 -79.6284 -38.7337 15.3382 GPRESSAVG: 3060200 -53.5282 -11.0493 -80.3775 -11.7146 63.0456 -38.8655 -77.907 -37.7463 14.7368 TIMING: 3060200 CPU: 9665.01, 0.00315203/step Wall: 9665.01, 0.00315203/step, 1.69842 hours remaining, 236.625000 MB of memory in use. ENERGY: 3060200 3906.2564 20535.4626 14403.5963 217.4649 -203436.3179 2500.2540 0.0000 0.0000 51987.1071 -109886.1765 298.7706 -161873.2837 -109526.4743 298.8612 149.5432 176.4970 759252.7508 7.9982 8.0847 LDB: ============= START OF LOAD BALANCING ============== 9677.54 LDB: ============== END OF LOAD BALANCING =============== 9677.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9677.54 LDB: ============= START OF LOAD BALANCING ============== 9677.85 LDB: Largest compute 7076 load 0.033742 is 17.2% of average load 0.195721 LDB: Average compute 0.004364 is 2.2% of average load 0.195721 LDB: TIME 9677.86 LOAD: AVG 0.195721 MAX 0.216537 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.98 MB LDB: TIME 9677.86 LOAD: AVG 0.195721 MAX 0.216537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: TIME 9677.86 LOAD: AVG 0.195721 MAX 0.216537 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: ============== END OF LOAD BALANCING =============== 9677.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9677.87 PRESSURE: 3060400 128.823 -106.828 44.1453 -106.829 172.098 -122.543 44.1455 -122.543 61.724 GPRESSURE: 3060400 135.683 70.9051 86.2531 -71.4047 198.525 34.5109 63.4675 -186.465 116.406 PRESSAVG: 3060400 -45.2918 -3.6102 -39.7685 -3.61022 3.72422 -96.7912 -39.7685 -96.7912 -16.9932 GPRESSAVG: 3060400 -44.6094 -2.56616 -40.193 -2.76003 3.09406 -95.4958 -36.9644 -97.4276 -16.6624 TIMING: 3060400 CPU: 9665.65, 0.003216/step Wall: 9665.65, 0.003216/step, 1.73271 hours remaining, 233.851562 MB of memory in use. ENERGY: 3060400 3913.9010 20281.7282 14338.7068 248.7391 -203769.1273 2822.7305 0.0000 0.0000 52151.0521 -110012.2696 299.7128 -162163.3217 -109649.2770 298.4642 120.8816 150.2046 759353.3175 -19.5203 -19.3926 PRESSURE: 3060600 -10.2912 84.6176 -295.861 84.6178 -79.8739 -44.3762 -295.861 -44.3771 -238.351 GPRESSURE: 3060600 -62.4566 -45.4545 -266.261 183.301 67.9602 -42.1741 -190.866 -85.0565 -254.599 PRESSAVG: 3060600 37.7896 -41.3223 -9.94466 -41.3222 -4.9075 -56.5447 -9.94466 -56.5447 2.81414 GPRESSAVG: 3060600 37.5489 -41.0224 -9.04948 -42.1074 -5.46763 -57.3306 -11.8434 -55.2059 3.32068 TIMING: 3060600 CPU: 9666.28, 0.00316347/step Wall: 9666.28, 0.00316347/step, 1.70423 hours remaining, 233.851562 MB of memory in use. ENERGY: 3060600 4004.0318 20531.4008 14447.4792 246.1133 -203840.9393 2550.1426 0.0000 0.0000 51935.1790 -110126.5926 298.4722 -162061.7716 -109770.1653 298.4840 -109.5055 -83.0317 759268.3299 11.8988 11.8006 PRESSURE: 3060800 2.81253 85.5167 -103.711 85.5172 -99.0379 -12.3611 -103.712 -12.36 -1.76158 GPRESSURE: 3060800 55.5297 30.2448 -119.385 115.844 -19.6907 -99.9624 -29.0513 -53.6696 -31.2173 PRESSAVG: 3060800 -28.2274 27.3437 14.9979 27.3438 23.7684 4.99895 14.998 4.99895 1.52478 GPRESSAVG: 3060800 -28.1975 26.1836 15.3364 29.2049 25.2474 2.1309 16.3172 5.03528 0.0819197 TIMING: 3060800 CPU: 9666.91, 0.00315371/step Wall: 9666.91, 0.00315372/step, 1.6988 hours remaining, 233.851562 MB of memory in use. ENERGY: 3060800 3985.4231 20486.5760 14308.0712 243.7807 -204223.1907 3009.1331 0.0000 0.0000 51979.5204 -110210.6861 298.7270 -162190.2065 -109842.9722 298.0918 -32.6623 1.5406 759248.0885 -0.9781 -0.9561 PRESSURE: 3061000 -263.798 -38.7749 25.9992 -38.7751 -262.051 -169.822 25.9999 -169.824 -137.685 GPRESSURE: 3061000 -193.595 -161.085 41.0055 -27.1949 -297.071 -161.166 58.5474 -197.09 -81.1951 PRESSAVG: 3061000 30.3155 -17.477 -119.44 -17.477 -20.1512 -31.3321 -119.44 -31.3321 -24.8652 GPRESSAVG: 3061000 31.8672 -13.8414 -118.999 -20.8904 -23.0886 -29.2632 -119.827 -32.5149 -24.0399 TIMING: 3061000 CPU: 9667.54, 0.00314582/step Wall: 9667.54, 0.00314582/step, 1.69437 hours remaining, 233.851562 MB of memory in use. ENERGY: 3061000 4036.0962 20491.4474 14368.1364 250.8824 -203636.5415 2389.2708 0.0000 0.0000 51923.6076 -110177.1006 298.4057 -162100.7082 -109823.4007 297.7603 -221.1781 -190.6202 760356.9161 -4.9003 -5.0871 PRESSURE: 3061200 57.2288 72.9014 -85.1619 72.9013 -117.48 -58.115 -85.1615 -58.1159 616.241 GPRESSURE: 3061200 -23.4014 111.322 -69.686 104.573 46.858 -68.4984 -139.265 -18.9721 617.489 PRESSAVG: 3061200 -35.4719 -15.0016 -49.0174 -15.0016 19.1888 0.831898 -49.0174 0.831918 17.6459 GPRESSAVG: 3061200 -36.3363 -17.255 -49.7253 -14.0948 21.9077 3.2268 -49.8842 1.50483 16.0088 TIMING: 3061200 CPU: 9668.17, 0.00314719/step Wall: 9668.17, 0.00314719/step, 1.69494 hours remaining, 233.851562 MB of memory in use. ENERGY: 3061200 3946.8294 20513.2432 14425.2429 228.1009 -203575.8141 2586.3030 0.0000 0.0000 51723.8764 -110152.2182 297.2578 -161876.0946 -109789.9590 297.6055 185.3299 213.6487 760685.6361 0.4543 0.5267 PRESSURE: 3061400 -237.211 -65.0153 29.8072 -65.0163 299.899 -133.077 29.8064 -133.078 49.7223 GPRESSURE: 3061400 -165.698 -30.2777 129.719 -136.409 240.332 -119.509 -52.274 75.7833 129.674 PRESSAVG: 3061400 -22.2583 -19.7922 -10.7076 -19.7921 18.7165 -3.28047 -10.7076 -3.28046 40.0809 GPRESSAVG: 3061400 -23.3118 -18.128 -10.7264 -19.0954 18.6223 -5.69949 -11.0392 -1.44291 41.0597 TIMING: 3061400 CPU: 9668.8, 0.00314994/step Wall: 9668.8, 0.00314994/step, 1.69624 hours remaining, 233.851562 MB of memory in use. ENERGY: 3061400 3964.9663 20579.7649 14386.4913 267.5582 -204023.6015 2859.9180 0.0000 0.0000 51944.0743 -110020.8285 298.5233 -161964.9029 -109665.4041 297.9641 37.4699 68.1026 759109.2528 12.1797 12.1234 PRESSURE: 3061600 -74.0484 90.0203 170.502 90.0203 19.4321 12.3222 170.503 12.3227 -168.061 GPRESSURE: 3061600 43.9233 61.8757 215.155 48.8466 -31.631 -86.3304 16.1044 110.599 -132.165 PRESSAVG: 3061600 -48.4904 2.73165 20.5228 2.73166 43.9917 -14.6261 20.5228 -14.6261 -2.74642 GPRESSAVG: 3061600 -47.3491 1.20997 20.4667 2.70725 42.1102 -13.5957 19.9957 -15.7907 -1.90632 TIMING: 3061600 CPU: 9669.43, 0.00313659/step Wall: 9669.43, 0.00313659/step, 1.68888 hours remaining, 233.851562 MB of memory in use. ENERGY: 3061600 3984.5996 20383.4603 14394.7954 245.5615 -203500.7688 2476.4991 0.0000 0.0000 51953.7400 -110062.1129 298.5789 -162015.8529 -109702.2258 298.1201 -74.2259 -39.9574 760855.8521 -2.4150 -2.3817 PRESSURE: 3061800 91.8974 -82.4905 250.879 -82.4902 21.8822 29.6861 250.879 29.6846 200.088 GPRESSURE: 3061800 132.619 -47.4883 158.017 42.5661 61.3318 42.6353 295.992 170.313 188.815 PRESSAVG: 3061800 -30.7291 -5.90037 -11.3004 -5.90031 67.6568 -13.1242 -11.3004 -13.1243 -9.74857 GPRESSAVG: 3061800 -30.8239 -7.3925 -12.6529 -4.4997 68.038 -12.9623 -8.75569 -13.8521 -9.90919 TIMING: 3061800 CPU: 9670.05, 0.00313049/step Wall: 9670.05, 0.00313049/step, 1.68542 hours remaining, 233.851562 MB of memory in use. ENERGY: 3061800 3981.7815 20513.6655 14351.8761 241.1618 -203585.1692 2790.3020 0.0000 0.0000 51601.0439 -110105.3386 296.5519 -161706.3824 -109753.3227 298.1446 104.6226 127.5887 760493.5373 9.0597 9.1016 PRESSURE: 3062000 -489.467 -129.762 -68.8488 -129.763 160.451 186.603 -68.8493 186.603 375.579 GPRESSURE: 3062000 -380.891 -97.879 -108.595 -91.0171 209.123 201.73 -185.718 166.356 295.471 PRESSAVG: 3062000 -66.8073 -9.94532 2.3481 -9.94534 38.9431 -40.4696 2.34809 -40.4695 -16.1228 GPRESSAVG: 3062000 -67.1401 -8.49814 4.73932 -12.2129 39.0378 -40.081 0.0908176 -41.1014 -15.6969 TIMING: 3062000 CPU: 9670.68, 0.0031268/step Wall: 9670.68, 0.0031268/step, 1.68326 hours remaining, 233.851562 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: 3062000 3997.1651 20220.7090 14331.4477 235.8472 -203692.9474 2580.3948 0.0000 0.0000 52321.8054 -110005.5782 300.6941 -162327.3836 -109631.0750 297.9714 15.5210 41.2343 759060.4302 -14.6623 -14.5997 PRESSURE: 3062200 264.745 42.9105 -85.4967 42.9099 -148.088 -99.1518 -85.4964 -99.1521 -67.2028 GPRESSURE: 3062200 356.436 27.9304 -103.065 45.3381 -67.144 -146.107 -75.3943 -176.821 -137.798 PRESSAVG: 3062200 -21.2967 11.5237 -19.884 11.5237 29.6648 -62.0737 -19.8839 -62.0737 -7.69055 GPRESSAVG: 3062200 -20.2932 10.4039 -21.1561 13.6197 30.3149 -63.9552 -19.343 -61.1588 -8.79185 TIMING: 3062200 CPU: 9671.31, 0.00313642/step Wall: 9671.31, 0.00313642/step, 1.68827 hours remaining, 233.851562 MB of memory in use. ENERGY: 3062200 4024.7979 20255.7147 14389.1315 238.4032 -203580.1474 2681.7032 0.0000 0.0000 51968.0885 -110022.3083 298.6613 -161990.3968 -109665.7721 298.1129 16.4847 50.4980 759079.7811 0.2258 0.4099 PRESSURE: 3062400 -310.741 111.973 -302.364 111.973 -65.6508 -91.6374 -302.364 -91.6375 46.7347 GPRESSURE: 3062400 -266.954 99.4846 -228.64 31.0214 -45.6536 -70.2092 -294.689 -216.71 52.6591 PRESSAVG: 3062400 -25.4928 1.73855 5.97908 1.73858 60.0182 -77.2422 5.97909 -77.2423 32.3009 GPRESSAVG: 3062400 -26.4593 4.19718 6.92613 0.574235 60.9473 -76.4345 6.36809 -78.0366 32.0674 TIMING: 3062400 CPU: 9671.94, 0.00315051/step Wall: 9671.94, 0.00315051/step, 1.69567 hours remaining, 233.851562 MB of memory in use. ENERGY: 3062400 3917.0056 20456.3564 14321.7641 246.4117 -203534.2249 2656.6177 0.0000 0.0000 51910.3271 -110025.7424 298.3294 -161936.0695 -109662.5780 298.1397 -109.8858 -86.6494 760006.8738 22.2754 22.1851 PRESSURE: 3062600 -305.044 114.742 153.891 114.742 106.26 102.134 153.891 102.133 349.757 GPRESSURE: 3062600 -187.353 146.072 126.431 159.716 30.9378 121.739 183.092 104.676 366.463 PRESSAVG: 3062600 -27.0997 20.3166 -4.83922 20.3166 -1.50409 -18.7808 -4.8393 -18.7809 13.3554 GPRESSAVG: 3062600 -26.4732 18.3833 -4.58057 20.8236 -2.81404 -18.4523 -5.36855 -17.6958 14.1914 TIMING: 3062600 CPU: 9672.56, 0.00313704/step Wall: 9672.56, 0.00313704/step, 1.68825 hours remaining, 233.851562 MB of memory in use. ENERGY: 3062600 3982.1316 20329.5195 14330.2188 246.0036 -202711.6251 2116.3904 0.0000 0.0000 51737.4613 -109969.8998 297.3359 -161707.3611 -109598.4022 298.3331 50.3244 70.0158 760486.8774 -5.0828 -5.0320 PRESSURE: 3062800 250.127 -223.54 -113.752 -223.54 -114.117 82.172 -113.751 82.1722 307.271 GPRESSURE: 3062800 256.273 -194.406 -78.1332 -16.7611 -19.502 81.3594 -176.167 -43.246 289.286 PRESSAVG: 3062800 -4.2671 6.13625 0.442055 6.13632 27.7461 -89.3047 0.442009 -89.3046 29.9172 GPRESSAVG: 3062800 -4.10135 6.01591 -1.03239 7.39621 26.8051 -90.6608 1.24092 -87.6262 30.7661 TIMING: 3062800 CPU: 9673.19, 0.0031483/step Wall: 9673.19, 0.0031483/step, 1.69414 hours remaining, 233.851562 MB of memory in use. ENERGY: 3062800 4027.0314 20509.7929 14258.8989 241.9895 -203716.2811 2860.0692 0.0000 0.0000 51866.1903 -109952.3090 298.0757 -161818.4993 -109597.8091 297.8128 147.7604 175.3521 759850.9702 17.7987 17.8233 PRESSURE: 3063000 400.513 -27.6658 97.5352 -27.6664 173.27 99.2317 97.5349 99.2317 -102.651 GPRESSURE: 3063000 433.656 -18.0509 28.4779 -75.8034 137.618 60.8904 169.861 101.626 -11.3757 PRESSAVG: 3063000 -19.405 32.3663 -3.19881 32.3663 31.4949 -24.0044 -3.19879 -24.0044 2.56684 GPRESSAVG: 3063000 -18.6881 33.4554 -2.3374 31.8703 33.3832 -22.5041 -2.79984 -23.8564 1.31828 TIMING: 3063000 CPU: 9673.82, 0.00312215/step Wall: 9673.82, 0.00312215/step, 1.67989 hours remaining, 233.851562 MB of memory in use. ENERGY: 3063000 3928.6319 20485.7859 14339.9319 234.5452 -203510.4307 2643.0308 0.0000 0.0000 51906.7377 -109971.7673 298.3087 -161878.5049 -109603.4187 298.2121 157.0441 186.6328 760669.5578 4.8856 5.3378 PRESSURE: 3063200 -207.931 45.2583 -22.4947 45.2576 -325.872 -180.213 -22.4943 -180.215 -191.392 GPRESSURE: 3063200 -139.71 -80.1737 -9.15536 13.0555 -365.117 -208.97 7.45682 -128.036 -136.816 PRESSAVG: 3063200 11.6098 -35.2248 43.6415 -35.2247 16.6659 -41.5862 43.6414 -41.5862 -9.62791 GPRESSAVG: 3063200 10.8756 -35.0784 44.3632 -35.2869 17.5662 -42.4483 44.3395 -42.7069 -9.34437 TIMING: 3063200 CPU: 9674.45, 0.00313376/step Wall: 9674.45, 0.00313376/step, 1.68596 hours remaining, 233.851562 MB of memory in use. ENERGY: 3063200 3908.7515 20447.9278 14392.9255 226.1880 -203235.9311 2313.2991 0.0000 0.0000 51995.4429 -109951.3962 298.8185 -161946.8391 -109593.3685 298.1392 -241.7314 -213.8811 761851.8197 6.2159 6.3658 PRESSURE: 3063400 -216.854 96.642 -183.645 96.6419 36.4748 -71.5077 -183.645 -71.5064 -74.744 GPRESSURE: 3063400 -93.061 191.469 -139.83 -31.7929 -4.19954 -4.22789 -123.526 -24.4272 -72.065 PRESSAVG: 3063400 -9.64049 26.9792 -20.9157 26.9792 -12.5068 14.3179 -20.9158 14.3177 -16.9095 GPRESSAVG: 3063400 -8.75147 26.624 -20.075 24.2701 -13.0542 14.3994 -24.4114 11.3325 -16.937 TIMING: 3063400 CPU: 9675.07, 0.00314581/step Wall: 9675.07, 0.00314581/step, 1.69227 hours remaining, 233.851562 MB of memory in use. ENERGY: 3063400 4000.0790 20468.5158 14368.8880 246.0884 -203607.9176 2553.1460 0.0000 0.0000 51993.9728 -109977.2275 298.8101 -161971.2004 -109613.6116 298.0523 -85.0409 -56.4418 761457.2407 -13.0189 -12.9142 PRESSURE: 3063600 11.8484 -50.5106 -129.483 -50.5111 -137.124 -88.657 -129.482 -88.6566 -664.41 GPRESSURE: 3063600 22.6659 36.6505 -122.358 5.92722 -82.6981 -28.8798 -79.8767 -118.403 -656.335 PRESSAVG: 3063600 -19.7366 40.7652 -20.2905 40.7653 46.8012 -35.0938 -20.2905 -35.0938 3.70484 GPRESSAVG: 3063600 -20.1889 39.474 -21.4946 44.1119 46.9484 -34.7468 -17.8204 -32.9893 3.5881 TIMING: 3063600 CPU: 9675.71, 0.00315457/step Wall: 9675.71, 0.00315457/step, 1.69681 hours remaining, 233.851562 MB of memory in use. ENERGY: 3063600 3978.6587 20351.4501 14391.2128 223.9384 -203558.7172 2419.5788 0.0000 0.0000 52011.5886 -110182.2898 298.9113 -162193.8784 -109808.0363 298.3653 -263.2283 -238.7891 760094.4485 10.2565 10.1158 PRESSURE: 3063800 -199.739 -65.118 -225.978 -65.1187 -129.419 -39.3379 -225.978 -39.3385 -53.2896 GPRESSURE: 3063800 -270.967 -159.404 -260.834 -64.4226 -15.5828 -42.4693 -284.987 39.3192 -23.981 PRESSAVG: 3063800 -24.2029 -20.442 2.25198 -20.442 24.5059 -26.3425 2.25197 -26.3425 0.280363 GPRESSAVG: 3063800 -24.1258 -19.6256 2.42158 -22.144 23.7568 -26.7077 2.22356 -28.1138 1.07975 TIMING: 3063800 CPU: 9676.34, 0.00315652/step Wall: 9676.34, 0.00315652/step, 1.69768 hours remaining, 233.851562 MB of memory in use. ENERGY: 3063800 4010.8612 20305.6692 14340.7179 236.5523 -203435.8331 2362.2242 0.0000 0.0000 51973.5884 -110206.2198 298.6929 -162179.8082 -109840.1489 298.4785 -127.4825 -103.5101 759637.3447 0.1944 0.2369 PRESSURE: 3064000 202.408 -74.4274 -26.2005 -74.4277 158.683 -234.048 -26.2 -234.048 717.027 GPRESSURE: 3064000 238.465 -186.925 -13.3992 -129.536 217.742 -257.932 35.8787 -282.094 709.566 PRESSAVG: 3064000 -3.98152 24.2662 -31.0081 24.2661 -4.82223 -44.2361 -31.0081 -44.2361 -17.8033 GPRESSAVG: 3064000 -4.43547 25.3125 -30.0318 23.1307 -4.93507 -44.6419 -31.7968 -42.1723 -17.1195 TIMING: 3064000 CPU: 9676.96, 0.00313393/step Wall: 9676.96, 0.00313393/step, 1.68536 hours remaining, 233.851562 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: 3064000 3907.8970 20546.7092 14374.4408 238.5111 -203976.8472 2913.9932 0.0000 0.0000 51682.4527 -110312.8433 297.0198 -161995.2960 -109954.7716 297.5835 359.3728 388.5909 759957.9446 -8.8690 -8.8300 PRESSURE: 3064200 -18.2446 90.3736 -89.4933 90.3736 -120.952 68.6468 -89.4932 68.6471 -160.998 GPRESSURE: 3064200 -22.364 168.503 -9.18338 71.2308 -142.884 99.9431 -56.2782 88.4272 -65.552 PRESSAVG: 3064200 29.5309 -14.793 51.4331 -14.793 -13.8489 -6.32655 51.4331 -6.32649 -17.8869 GPRESSAVG: 3064200 30.4915 -14.9691 50.2374 -12.2556 -14.4644 -7.35383 51.2213 -5.92352 -18.0591 TIMING: 3064200 CPU: 9677.59, 0.00314513/step Wall: 9677.59, 0.00314513/step, 1.69121 hours remaining, 233.851562 MB of memory in use. ENERGY: 3064200 3959.1443 20580.6273 14504.5052 249.5463 -203708.7663 2354.1365 0.0000 0.0000 51904.3531 -110156.4536 298.2950 -162060.8068 -109800.0079 297.7797 -100.0648 -76.9333 760270.5947 -0.7350 -0.6774 LDB: ============= START OF LOAD BALANCING ============== 9690.12 LDB: ============== END OF LOAD BALANCING =============== 9690.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9690.13 LDB: ============= START OF LOAD BALANCING ============== 9690.44 LDB: Largest compute 7075 load 0.031999 is 16.4% of average load 0.195602 LDB: Average compute 0.004367 is 2.2% of average load 0.195602 LDB: TIME 9690.44 LOAD: AVG 0.195602 MAX 0.213178 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.562 MB LDB: TIME 9690.44 LOAD: AVG 0.195602 MAX 0.213178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.77 MB LDB: TIME 9690.44 LOAD: AVG 0.195602 MAX 0.213178 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.77 MB LDB: ============== END OF LOAD BALANCING =============== 9690.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9690.45 PRESSURE: 3064400 -282.983 -198.593 -143.008 -198.593 -190.164 -96.8337 -143.008 -96.8323 -565.668 GPRESSURE: 3064400 -252.732 -220.743 -126.704 -171.338 -134.879 -59.5512 -110.194 -39.5042 -585.655 PRESSAVG: 3064400 -3.4904 -21.6806 -6.07959 -21.6806 26.1079 -43.9449 -6.07955 -43.9449 0.759419 GPRESSAVG: 3064400 -4.80575 -23.648 -4.56566 -21.9198 27.1549 -43.8651 -4.05748 -43.2462 0.313425 TIMING: 3064400 CPU: 9678.23, 0.0032114/step Wall: 9678.23, 0.0032114/step, 1.72666 hours remaining, 236.210938 MB of memory in use. ENERGY: 3064400 3961.5217 20475.3572 14404.5949 237.1953 -203673.8239 2411.2589 0.0000 0.0000 51998.5601 -110185.3358 298.8364 -162183.8959 -109822.0907 298.4334 -346.2717 -324.4221 760339.8812 7.7923 7.5542 PRESSURE: 3064600 32.5508 324.004 -114.263 324.003 76.1561 -61.4082 -114.263 -61.4097 174.235 GPRESSURE: 3064600 62.2681 293.007 -96.9576 10.3364 165.639 -63.1152 -124.629 -45.2937 150.931 PRESSAVG: 3064600 13.2894 34.5052 9.17839 34.5053 -0.86136 -42.0933 9.17846 -42.0934 12.7428 GPRESSAVG: 3064600 13.8576 35.37 7.40525 32.5025 -0.249681 -41.0732 7.85969 -42.5422 11.5371 TIMING: 3064600 CPU: 9678.86, 0.00312543/step Wall: 9678.86, 0.00312543/step, 1.68026 hours remaining, 236.210938 MB of memory in use. ENERGY: 3064600 4014.0336 20436.1054 14450.8357 242.1079 -203928.6223 2603.2204 0.0000 0.0000 52082.6908 -110099.6284 299.3199 -162182.3193 -109736.2963 298.2444 94.3141 126.2793 760001.9475 8.3903 8.3817 PRESSURE: 3064800 -88.35 -230.999 -28.324 -230.999 -147.571 -125.541 -28.3234 -125.541 -6.35118 GPRESSURE: 3064800 18.1804 -181.021 10.8743 -226.371 -93.4825 -104.26 -65.1299 -157.829 -93.2772 PRESSAVG: 3064800 -3.5714 -12.5472 3.90457 -12.5472 -64.2664 -16.8505 3.90451 -16.8506 5.85906 GPRESSAVG: 3064800 -2.49424 -13.5014 4.19574 -11.0035 -64.7785 -16.4409 2.93635 -18.064 6.01462 TIMING: 3064800 CPU: 9679.49, 0.00313463/step Wall: 9679.49, 0.00313463/step, 1.68504 hours remaining, 236.261719 MB of memory in use. ENERGY: 3064800 3984.1804 20362.5803 14386.8100 238.6068 -203588.9499 2649.5595 0.0000 0.0000 51785.0401 -110182.1728 297.6093 -161967.2130 -109817.3910 298.6062 -80.7573 -56.1931 762124.2223 -20.6596 -20.4194 PRESSURE: 3065000 -63.7079 -202.462 -226.684 -202.463 -16.6213 -28.1427 -226.684 -28.1428 142.112 GPRESSURE: 3065000 -23.6521 -183.29 -217.416 -227.439 62.6997 -24.8479 -176.309 66.6153 94.8966 PRESSAVG: 3065000 -35.2791 -66.2587 -24.2749 -66.2587 11.5336 -44.7849 -24.2749 -44.7849 11.3196 GPRESSAVG: 3065000 -35.2789 -64.374 -24.3167 -67.0359 12.0345 -45.5592 -25.4108 -43.8192 10.3224 TIMING: 3065000 CPU: 9680.12, 0.0031538/step Wall: 9680.12, 0.0031538/step, 1.69517 hours remaining, 236.261719 MB of memory in use. ENERGY: 3065000 3912.4330 20432.0648 14403.8143 254.9902 -203435.9372 2413.5706 0.0000 0.0000 51667.7255 -110351.3389 296.9351 -162019.0643 -109994.1748 298.0613 20.5943 44.6480 760987.3040 -4.1420 -4.3073 PRESSURE: 3065200 -401.578 -169.243 -98.8784 -169.244 -340.195 -21.8796 -98.8779 -21.88 -137.19 GPRESSURE: 3065200 -436.257 -109.779 -56.491 -282.807 -232.57 45.0598 11.2234 5.32707 -124.636 PRESSAVG: 3065200 -1.17434 -11.9363 -1.89537 -11.9362 12.9808 5.91064 -1.89536 5.91065 -16.3756 GPRESSAVG: 3065200 -2.14806 -12.5881 -2.63654 -11.8403 13.14 7.01218 2.34058 5.40516 -15.2857 TIMING: 3065200 CPU: 9680.75, 0.00315717/step Wall: 9680.75, 0.00315717/step, 1.6968 hours remaining, 236.261719 MB of memory in use. ENERGY: 3065200 3969.9518 20238.8896 14398.4492 252.8868 -203253.3100 2219.6167 0.0000 0.0000 51982.0758 -110191.4401 298.7417 -162173.5160 -109831.2383 297.7539 -292.9877 -264.4880 762065.4964 -1.5231 -1.4313 PRESSURE: 3065400 242.564 35.391 -71.4312 35.3907 28.5769 78.2052 -71.4313 78.2055 131.975 GPRESSURE: 3065400 213.497 57.551 -65.5704 41.4558 102.841 95.1108 -232.308 37.6008 157.875 PRESSAVG: 3065400 -33.9614 -34.9848 -52.0043 -34.9848 26.9272 31.007 -52.0043 31.007 16.9214 GPRESSAVG: 3065400 -32.2419 -35.9134 -52.4329 -33.3436 26.0606 29.291 -53.3892 32.2678 16.6747 TIMING: 3065400 CPU: 9681.38, 0.00314752/step Wall: 9681.38, 0.00314752/step, 1.69144 hours remaining, 236.464844 MB of memory in use. ENERGY: 3065400 3905.8510 20342.6502 14452.4420 239.2356 -203371.9006 2459.2148 0.0000 0.0000 51989.9570 -109982.5499 298.7870 -161972.5069 -109616.2073 298.2132 134.3719 158.0712 760496.0253 3.2957 3.4978 PRESSURE: 3065600 197.96 -304.237 -59.9269 -304.237 136.021 -66.7251 -59.9264 -66.7253 -87.665 GPRESSURE: 3065600 240.705 -235.865 -80.2423 -312.923 160.095 -45.2583 -113.686 -241.721 -63.9828 PRESSAVG: 3065600 -42.9844 -22.686 7.6725 -22.686 69.6733 -5.91465 7.6725 -5.91469 16.3898 GPRESSAVG: 3065600 -43.9986 -21.7 8.56965 -26.0616 70.1569 -4.63481 5.17523 -7.63893 17.3327 TIMING: 3065600 CPU: 9682.01, 0.00316035/step Wall: 9682.01, 0.00316035/step, 1.69816 hours remaining, 236.464844 MB of memory in use. ENERGY: 3065600 4006.1915 20477.9405 14390.8985 245.7935 -203531.8956 2591.5570 0.0000 0.0000 51999.6859 -109819.8287 298.8429 -161819.5146 -109454.9228 298.7002 82.1055 112.2723 759481.8597 14.3596 14.4970 PRESSURE: 3065800 80.4254 5.73339 -61.3526 5.73392 -4.44438 -119.901 -61.3536 -119.901 -378.768 GPRESSURE: 3065800 23.7562 12.2751 -74.1708 4.22573 98.0924 -163.161 16.2787 -82.9179 -333.385 PRESSAVG: 3065800 4.57163 -17.2399 -3.41198 -17.2398 51.362 9.27468 -3.41197 9.27466 -13.9502 GPRESSAVG: 3065800 3.9352 -17.928 -4.22271 -14.0633 52.6249 8.72204 -0.960052 10.9527 -14.1997 TIMING: 3065800 CPU: 9682.64, 0.00313655/step Wall: 9682.64, 0.00313655/step, 1.6852 hours remaining, 236.464844 MB of memory in use. ENERGY: 3065800 4076.6538 20520.1419 14419.2972 234.4395 -203419.9799 2579.2127 0.0000 0.0000 51967.6137 -109622.6211 298.6586 -161590.2348 -109277.9921 299.1823 -100.9289 -70.5121 760921.1268 13.9945 14.1202 PRESSURE: 3066000 55.7291 0.126617 205.127 0.127178 -70.3617 87.2173 205.127 87.2176 162.859 GPRESSURE: 3066000 55.0497 -8.3261 95.5798 59.2094 34.6606 13.0637 417.407 236.276 136.822 PRESSAVG: 3066000 19.9065 6.4286 28.9629 6.42867 -28.3754 -8.80315 28.9629 -8.80318 -10.3061 GPRESSAVG: 3066000 21.5773 6.66866 29.3292 6.0573 -29.6555 -10.949 28.2643 -8.08844 -10.8281 TIMING: 3066000 CPU: 9683.27, 0.00316415/step Wall: 9683.27, 0.00316415/step, 1.69985 hours remaining, 236.464844 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: 3066000 4081.6342 20501.2172 14393.7945 255.8191 -203565.1928 2783.5136 0.0000 0.0000 52060.0942 -109489.1201 299.1901 -161549.2143 -109136.2008 299.1575 49.4087 75.5106 761271.9357 -6.2583 -6.3021 PRESSURE: 3066200 -400.762 131.611 -85.5665 131.609 227.232 -290.841 -85.5652 -290.84 -152.105 GPRESSURE: 3066200 -297.078 3.19765 -148.121 116.421 144.412 -356.595 -96.7586 -144.172 -82.2684 PRESSAVG: 3066200 -7.16475 18.7513 -1.01314 18.7513 -2.33297 16.1252 -1.01317 16.1252 -2.13307 GPRESSAVG: 3066200 -7.59436 17.1936 -0.563747 18.4996 -1.8115 16.5936 -3.2605 14.4876 -1.94586 TIMING: 3066200 CPU: 9683.9, 0.00315914/step Wall: 9683.9, 0.00315914/step, 1.69699 hours remaining, 236.464844 MB of memory in use. ENERGY: 3066200 4017.8643 20459.8126 14411.3125 263.4071 -203605.2751 2756.8496 0.0000 0.0000 52070.0301 -109625.9989 299.2472 -161696.0289 -109264.8777 299.3671 -108.5449 -78.3116 761008.2482 -3.8769 -3.7839 PRESSURE: 3066400 -13.7716 132.545 88.682 132.544 62.9376 217.984 88.6817 217.985 -94.0718 GPRESSURE: 3066400 23.013 205.783 171.907 92.4241 92.8002 158.679 11.6563 140.334 -51.6733 PRESSAVG: 3066400 38.9495 47.2341 -50.4855 47.2341 -29.2564 -19.301 -50.4855 -19.301 2.02841 GPRESSAVG: 3066400 37.9783 49.8624 -50.4413 45.989 -28.6239 -20.3564 -49.164 -17.7194 1.78751 TIMING: 3066400 CPU: 9684.53, 0.00315442/step Wall: 9684.53, 0.00315442/step, 1.69428 hours remaining, 236.464844 MB of memory in use. ENERGY: 3066400 4029.2010 20296.0584 14483.5159 252.4318 -203453.6426 2561.5418 0.0000 0.0000 52151.8554 -109679.0383 299.7174 -161830.8937 -109311.3142 299.3228 -14.9686 21.3800 761620.6509 3.9072 3.7140 PRESSURE: 3066600 -62.3707 228.514 49.848 228.514 -12.5975 6.44546 49.8491 6.44641 43.1403 GPRESSURE: 3066600 -106.06 171.095 108.802 184.073 68.5604 71.6527 20.0317 -23.4224 83.5709 PRESSAVG: 3066600 25.2842 30.708 -6.6718 30.708 3.92217 31.239 -6.67179 31.2389 13.2346 GPRESSAVG: 3066600 25.0383 28.3617 -7.11674 31.83 4.03062 33.903 -4.77734 29.235 14 TIMING: 3066600 CPU: 9685.16, 0.00314933/step Wall: 9685.16, 0.00314933/step, 1.69137 hours remaining, 236.464844 MB of memory in use. ENERGY: 3066600 3976.1816 20523.6262 14360.2277 236.6126 -203765.8678 3021.2278 0.0000 0.0000 52166.8309 -109481.1611 299.8035 -161647.9920 -109121.0605 299.4554 -10.6093 15.3570 762214.3864 14.1470 14.3563 PRESSURE: 3066800 -80.7332 -86.4019 -190.482 -86.4021 149.472 -60.5183 -190.482 -60.5183 -183.342 GPRESSURE: 3066800 -27.4124 -44.5186 -222.982 -53.4169 188.077 -124.696 -107.68 -131.13 -201.563 PRESSAVG: 3066800 5.1469 28.2208 -21.6607 28.2209 8.58913 -31.1384 -21.6607 -31.1383 13.2572 GPRESSAVG: 3066800 5.25779 29.1072 -20.7921 26.4696 8.24783 -31.2225 -22.8506 -33.7499 12.9373 TIMING: 3066800 CPU: 9685.8, 0.00316286/step Wall: 9685.8, 0.00316286/step, 1.69846 hours remaining, 236.464844 MB of memory in use. ENERGY: 3066800 3965.9584 20398.0490 14466.7365 235.3874 -203066.0038 2594.6337 0.0000 0.0000 52122.5740 -109282.6648 299.5491 -161405.2387 -108909.3952 299.7546 -38.2008 -13.6327 763646.8033 8.9977 8.8143 PRESSURE: 3067000 173.561 -17.7039 -80.8384 -17.7037 -46.9474 100.707 -80.8388 100.708 -103.632 GPRESSURE: 3067000 186.588 50.4625 -141.182 -49.9276 24.8713 172.782 -11.2531 175.13 -89.1826 PRESSAVG: 3067000 -18.6557 -0.890234 -8.70215 -0.89022 34.9337 -20.5214 -8.70211 -20.5213 2.62341 GPRESSAVG: 3067000 -16.376 -2.24743 -9.25173 2.29874 33.6941 -21.7612 -7.94116 -16.8599 2.4422 TIMING: 3067000 CPU: 9686.43, 0.00317145/step Wall: 9686.43, 0.00317145/step, 1.70289 hours remaining, 236.464844 MB of memory in use. ENERGY: 3067000 4023.9742 20549.2807 14367.1863 251.9198 -203159.1079 2663.3111 0.0000 0.0000 51930.7539 -109372.6819 298.4468 -161303.4358 -109019.7721 299.0250 7.6604 40.7589 762840.9299 6.3005 6.5868 PRESSURE: 3067200 -662.988 -58.2941 -142.328 -58.2937 -11.6388 21.6185 -142.329 21.6189 -64.7831 GPRESSURE: 3067200 -552.37 -225.41 -179.063 -83.3621 -23.0028 78.4737 -130.028 33.7392 -76.9778 PRESSAVG: 3067200 -2.49698 10.6508 -16.4041 10.6508 -20.5543 45.3137 -16.4041 45.3137 -8.448 GPRESSAVG: 3067200 -3.58389 10.5842 -16.5969 8.08634 -19.9978 47.5715 -16.9725 45.5326 -7.57329 TIMING: 3067200 CPU: 9687.06, 0.00316178/step Wall: 9687.06, 0.00316178/step, 1.69752 hours remaining, 236.464844 MB of memory in use. ENERGY: 3067200 4054.2086 20324.8244 14396.9239 230.8276 -202961.6798 2495.1531 0.0000 0.0000 52073.3875 -109386.3546 299.2665 -161459.7421 -109019.2094 299.2721 -246.4700 -217.4502 763019.4432 -10.4998 -10.3850 PRESSURE: 3067400 -306.184 49.8822 -74.2159 49.8827 -127.249 124.767 -74.2161 124.766 178.513 GPRESSURE: 3067400 -220.327 189.119 -74.3265 22.8014 -157.824 59.2243 -52.1241 28.9445 173.474 PRESSAVG: 3067400 47.4069 25.5465 -56.7739 25.5465 -40.7818 66.4085 -56.7739 66.4085 8.6003 GPRESSAVG: 3067400 47.8301 27.7042 -57.6016 26.5442 -40.6629 65.3446 -56.0069 65.8501 7.96354 TIMING: 3067400 CPU: 9687.69, 0.00314557/step Wall: 9687.69, 0.00314557/step, 1.68865 hours remaining, 236.464844 MB of memory in use. ENERGY: 3067400 3935.0186 20608.6560 14394.3591 234.9115 -203323.8530 2668.5762 0.0000 0.0000 52190.2901 -109292.0415 299.9383 -161482.3316 -108937.8360 299.3635 -84.9734 -68.2254 764671.5696 5.0751 5.0436 PRESSURE: 3067600 -133.205 51.2814 2.87334 51.2823 436.586 15.2251 2.87391 15.2247 364.668 GPRESSURE: 3067600 -88.6839 -4.47719 96.4046 -32.3428 440.482 -66.0568 -64.5778 7.09851 394.837 PRESSAVG: 3067600 20.8626 -34.3541 -18.765 -34.3541 -2.30226 31.3377 -18.7649 31.3378 -13.9608 GPRESSAVG: 3067600 19.3954 -35.8309 -16.9187 -33.1874 -0.813454 31.7804 -18.3283 30.9309 -14.1136 TIMING: 3067600 CPU: 9688.32, 0.00315438/step Wall: 9688.32, 0.00315438/step, 1.6932 hours remaining, 236.464844 MB of memory in use. ENERGY: 3067600 3888.6874 20591.2953 14329.5438 243.5628 -203692.4768 2940.9405 0.0000 0.0000 52233.8714 -109464.5756 300.1888 -161698.4470 -109110.4867 299.6188 222.6828 248.8782 763346.9259 1.5332 1.4894 PRESSURE: 3067800 58.4948 36.6828 16.4994 36.6827 98.0901 -56.6506 16.5001 -56.6516 153.797 GPRESSURE: 3067800 42.06 -103.552 9.36056 5.36949 213.64 35.163 -80.8719 -138.058 140.078 PRESSAVG: 3067800 -12.7652 -10.6356 -28.5287 -10.6356 7.13949 41.8823 -28.5287 41.8824 38.0399 GPRESSAVG: 3067800 -11.497 -11.617 -29.5486 -11.9986 7.05193 40.4525 -29.3041 43.146 36.8552 TIMING: 3067800 CPU: 9688.95, 0.00314001/step Wall: 9688.95, 0.00314001/step, 1.68531 hours remaining, 236.464844 MB of memory in use. ENERGY: 3067800 4060.8928 20524.5350 14449.5625 252.6170 -203355.9117 2785.0487 0.0000 0.0000 52060.9126 -109222.3431 299.1948 -161283.2557 -108871.0170 299.8303 103.4607 131.9262 762225.4944 10.8047 10.8034 PRESSURE: 3068000 312.01 73.8012 -62.3571 73.8017 150.289 401.103 -62.3571 401.103 -198.502 GPRESSURE: 3068000 327.886 -28.8162 18.2023 58.2641 141.707 462.644 -70.1101 231.989 -113.078 PRESSAVG: 3068000 48.6833 39.2155 -21.3401 39.2155 -44.2689 8.09471 -21.3402 8.0947 -13.321 GPRESSAVG: 3068000 48.3955 40.5863 -20.9408 37.4097 -45.2593 9.52382 -20.7954 8.30241 -11.9927 TIMING: 3068000 CPU: 9689.58, 0.00313745/step Wall: 9689.58, 0.00313745/step, 1.68376 hours remaining, 236.464844 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: 3068000 3989.3350 20477.1533 14401.6918 252.5949 -202890.4235 2443.5794 0.0000 0.0000 52017.6848 -109308.3844 298.9463 -161326.0691 -108958.3537 299.4106 87.9325 118.8382 763664.2682 -2.9688 -2.9522 PRESSURE: 3068200 -179.568 224.055 10.8658 224.055 -83.5835 -19.7161 10.8656 -19.7143 245.972 GPRESSURE: 3068200 -120.725 170.358 102.717 260.17 -36.8223 93.4198 -16.044 -57.6107 221.379 PRESSAVG: 3068200 2.89208 24.4615 -13.9782 24.4615 -31.9196 56.1067 -13.9782 56.1067 12.6202 GPRESSAVG: 3068200 3.52303 22.7412 -15.3396 26.1029 -32.2063 56.5925 -13.6612 54.9591 12.4573 TIMING: 3068200 CPU: 9690.2, 0.00313363/step Wall: 9690.2, 0.00313363/step, 1.68154 hours remaining, 236.464844 MB of memory in use. ENERGY: 3068200 3974.4332 20541.1900 14421.5804 243.9112 -203006.5090 2634.4593 0.0000 0.0000 52128.4518 -109062.4833 299.5829 -161190.9350 -108711.0298 299.3145 -5.7265 21.2774 763421.9258 -5.4691 -5.4087 LDB: ============= START OF LOAD BALANCING ============== 9702.73 LDB: ============== END OF LOAD BALANCING =============== 9702.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9702.74 LDB: ============= START OF LOAD BALANCING ============== 9703.05 LDB: Largest compute 7057 load 0.032160 is 16.4% of average load 0.195730 LDB: Average compute 0.004380 is 2.2% of average load 0.195730 LDB: TIME 9703.05 LOAD: AVG 0.19573 MAX 0.215427 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.363 MB LDB: TIME 9703.05 LOAD: AVG 0.19573 MAX 0.215427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: TIME 9703.05 LOAD: AVG 0.19573 MAX 0.215427 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.363 MB LDB: ============== END OF LOAD BALANCING =============== 9703.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9703.06 PRESSURE: 3068400 -29.0914 99.9135 254.369 99.9126 -820.366 147.004 254.368 147.004 345.832 GPRESSURE: 3068400 -17.2031 156.662 216.278 69.0242 -680.976 139.018 158.658 121.663 279.207 PRESSAVG: 3068400 -24.8481 16.4866 64.8842 16.4866 6.22938 11.219 64.8843 11.2191 -11.8198 GPRESSAVG: 3068400 -25.4794 18.6733 65.1973 17.6455 5.64711 11.1376 64.0473 11.4798 -11.1551 TIMING: 3068400 CPU: 9690.84, 0.00319777/step Wall: 9690.84, 0.00319777/step, 1.71578 hours remaining, 234.875000 MB of memory in use. ENERGY: 3068400 3932.7529 20404.9969 14381.5155 242.7691 -202651.7392 2461.5043 0.0000 0.0000 52019.3260 -109208.8744 298.9558 -161228.2004 -108847.3218 300.0094 -167.8752 -139.6574 765121.6263 -10.1462 -10.3291 PRESSURE: 3068600 -113.928 -180.72 -130.47 -180.72 -200.476 -134.875 -130.47 -134.874 58.839 GPRESSURE: 3068600 -153.044 -305.041 -75.7653 -163.61 -93.4711 -57.1995 -74.8057 -8.90345 80.0848 PRESSAVG: 3068600 23.3634 -10.5935 -43.6999 -10.5934 34.6555 28.717 -43.6999 28.717 -6.66906 GPRESSAVG: 3068600 23.6936 -11.5732 -43.8295 -9.9214 35.667 27.8983 -43.2616 30.766 -7.20527 TIMING: 3068600 CPU: 9691.47, 0.00312595/step Wall: 9691.47, 0.00312595/step, 1.67707 hours remaining, 235.078125 MB of memory in use. ENERGY: 3068600 4026.5947 20552.5178 14373.1475 257.0379 -203139.3560 2685.6798 0.0000 0.0000 52171.1598 -109073.2185 299.8284 -161244.3783 -108710.4594 299.6829 -85.1886 -55.4767 763442.9553 17.1166 17.3851 PRESSURE: 3068800 -335.683 10.0604 45.3647 10.0595 -426.561 214.83 45.3651 214.829 29.9704 GPRESSURE: 3068800 -306.84 -116.585 12.7269 68.3962 -450.972 279.525 -31.3819 111.828 112.306 PRESSAVG: 3068800 -75.8739 -14.9154 -37.0306 -14.9155 37.4432 -15.0464 -37.0306 -15.0465 35.1194 GPRESSAVG: 3068800 -76.5174 -15.3154 -35.9569 -15.9169 37.2954 -15.5405 -36.6323 -16.5412 35.3922 TIMING: 3068800 CPU: 9692.1, 0.00313384/step Wall: 9692.1, 0.00313384/step, 1.68113 hours remaining, 235.078125 MB of memory in use. ENERGY: 3068800 3952.4815 20368.6425 14428.4460 250.7889 -202751.8965 2461.1094 0.0000 0.0000 52119.8890 -109170.5393 299.5337 -161290.4283 -108801.7011 299.7458 -244.0911 -215.1687 765859.3792 -1.1038 -1.2766 PRESSURE: 3069000 329.646 222.9 -83.7181 222.899 218.419 -284.16 -83.7178 -284.161 -173.74 GPRESSURE: 3069000 401.812 150.71 -53.8525 138.16 154.021 -214.785 -41.1369 -302.18 -94.8296 PRESSAVG: 3069000 37.6384 -8.59543 9.90213 -8.59537 -55.5916 -35.2468 9.90212 -35.2468 -33.1586 GPRESSAVG: 3069000 38.6969 -8.68965 10.4933 -9.4914 -56.9105 -33.4859 8.53741 -33.985 -33.0903 TIMING: 3069000 CPU: 9692.72, 0.00313753/step Wall: 9692.72, 0.00313753/step, 1.68294 hours remaining, 235.078125 MB of memory in use. ENERGY: 3069000 3970.9309 20481.7841 14387.0589 235.9106 -203269.9816 2850.4914 0.0000 0.0000 52261.4153 -109082.3904 300.3471 -161343.8057 -108718.4092 300.0530 124.7750 153.6680 762641.7380 -17.0373 -17.1013 PRESSURE: 3069200 381.602 15.8251 96.7434 15.8254 43.3065 193.524 96.7438 193.523 -158.672 GPRESSURE: 3069200 403.706 19.2346 80.2058 -56.0504 105.617 90.9012 105.701 64.4504 -180.489 PRESSAVG: 3069200 -5.84552 51.8003 36.2995 51.8003 14.755 48.8689 36.2996 48.8689 17.3877 GPRESSAVG: 3069200 -5.54058 51.9429 35.055 52.1779 15.3952 46.6217 36.9376 46.9398 16.7367 TIMING: 3069200 CPU: 9693.36, 0.00315912/step Wall: 9693.36, 0.00315912/step, 1.69434 hours remaining, 235.078125 MB of memory in use. ENERGY: 3069200 4022.0365 20239.2914 14495.2855 252.8245 -203163.6642 2686.2241 0.0000 0.0000 52439.8095 -109028.1927 301.3723 -161468.0021 -108650.4304 299.9846 88.7454 109.6116 762710.2603 8.7657 8.8638 PRESSURE: 3069400 172.046 91.1829 -273.664 91.1828 130.654 261.522 -273.665 261.522 -41.3858 GPRESSURE: 3069400 236.846 159.864 -233.609 126.42 119.879 253.759 -342.799 201.768 7.15921 PRESSAVG: 3069400 -41.9771 27.9938 18.7375 27.9938 33.2935 -30.0916 18.7375 -30.0917 -16.5625 GPRESSAVG: 3069400 -42.904 25.9753 19.8085 29.5654 34.3073 -30.9586 18.179 -29.8438 -16.2626 TIMING: 3069400 CPU: 9693.98, 0.00314707/step Wall: 9693.98, 0.00314707/step, 1.6877 hours remaining, 235.078125 MB of memory in use. ENERGY: 3069400 3958.5218 20580.5284 14432.5761 255.4956 -202794.9138 2564.8062 0.0000 0.0000 51946.9402 -109056.0455 298.5398 -161002.9857 -108692.5270 300.0647 87.1047 121.2949 762040.4924 -8.4154 -8.2864 PRESSURE: 3069600 -35.235 37.9007 -25.0974 37.9018 19.473 133.768 -25.0973 133.767 45.63 GPRESSURE: 3069600 -52.4928 -79.5328 97.0482 57.0907 94.5287 149.195 -21.8187 181.145 62.0853 PRESSAVG: 3069600 71.9948 -28.4802 -18.9875 -28.4802 -26.1174 -47.4467 -18.9875 -47.4467 -11.4223 GPRESSAVG: 3069600 70.6033 -27.0662 -20.0982 -30.1636 -25.3432 -46.6023 -20.0225 -46.455 -10.5689 TIMING: 3069600 CPU: 9694.61, 0.0031437/step Wall: 9694.61, 0.0031437/step, 1.68572 hours remaining, 235.078125 MB of memory in use. ENERGY: 3069600 3945.5055 20577.5070 14362.8090 238.2501 -203160.5239 2663.1652 0.0000 0.0000 52346.1818 -109027.1052 300.8342 -161373.2870 -108673.0752 299.9558 9.9560 34.7071 761598.2188 11.4850 11.5637 PRESSURE: 3069800 -360.951 -171.865 61.2973 -171.864 -54.5944 9.79754 61.2967 9.79629 180.762 GPRESSURE: 3069800 -311.041 -71.3498 2.15829 -164.96 -68.7222 62.0222 134.98 100.81 228.226 PRESSAVG: 3069800 -59.2793 -54.7155 -9.17097 -54.7155 36.2794 -19.0713 -9.17091 -19.0713 -9.4714 GPRESSAVG: 3069800 -57.8536 -55.9305 -9.50362 -51.9254 35.5587 -20.2327 -7.49518 -18.5912 -10.2812 TIMING: 3069800 CPU: 9695.24, 0.00314042/step Wall: 9695.24, 0.00314042/step, 1.68379 hours remaining, 235.078125 MB of memory in use. ENERGY: 3069800 4019.8077 20220.4219 14386.9287 256.8397 -203117.5377 2754.0498 0.0000 0.0000 52291.6681 -109187.8219 300.5209 -161479.4900 -108818.7319 299.8804 -78.2611 -50.5125 762665.9493 -10.8238 -10.8587 PRESSURE: 3070000 138.296 -12.2993 233.404 -12.299 341.549 -42.7582 233.405 -42.7594 496.617 GPRESSURE: 3070000 277.075 87.1548 328.84 -71.0462 317.681 -66.6466 144.6 -70.4819 462.533 PRESSAVG: 3070000 -28.1596 -6.88994 -1.00161 -6.88989 -7.29782 8.53684 -1.00158 8.53679 2.52507 GPRESSAVG: 3070000 -26.7872 -3.92455 0.634314 -11.1951 -8.59157 9.07376 -0.615485 7.49091 2.22016 TIMING: 3070000 CPU: 9695.87, 0.00315232/step Wall: 9695.87, 0.00315232/step, 1.68999 hours remaining, 235.078125 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: 3070000 3973.0016 20474.2267 14455.6747 261.0836 -203202.3524 2718.1739 0.0000 0.0000 52040.2636 -109279.9282 299.0761 -161320.1918 -108928.4187 299.8171 325.4877 352.4300 762228.0613 -10.9775 -11.0529 PRESSURE: 3070200 40.6528 19.9135 -70.2139 19.9132 7.6296 18.9278 -70.2137 18.9284 277.986 GPRESSURE: 3070200 112.339 73.6226 -59.8344 116.055 76.7373 31.8969 -51.4656 -27.1162 258.08 PRESSAVG: 3070200 -23.7588 -46.5093 13.9152 -46.5093 32.9993 6.68467 13.9152 6.68467 -14.3212 GPRESSAVG: 3070200 -24.0869 -45.4088 13.481 -46.0521 34.0213 7.6354 11.7987 7.12782 -14.8278 TIMING: 3070200 CPU: 9696.5, 0.00313878/step Wall: 9696.5, 0.00313878/step, 1.68256 hours remaining, 235.078125 MB of memory in use. ENERGY: 3070200 3865.3631 20468.7683 14458.1900 255.0679 -203470.0460 2681.3899 0.0000 0.0000 52332.8196 -109408.4472 300.7574 -161741.2668 -109040.3245 299.6357 108.7562 149.0522 762366.4195 -1.6936 -1.6311 PRESSURE: 3070400 -311.919 -27.2513 88.1658 -27.251 -209.184 -118.551 88.166 -118.551 -1.92634 GPRESSURE: 3070400 -378.155 -26.106 51.3176 87.3102 -50.2463 -79.7755 213.378 -87.7155 27.2843 PRESSAVG: 3070400 -43.024 -25.0075 64.9789 -25.0074 43.7164 16.6141 64.9789 16.6141 1.36185 GPRESSAVG: 3070400 -44.8144 -25.6678 64.0034 -25.344 44.2053 16.4132 65.2039 15.1983 2.77538 TIMING: 3070400 CPU: 9697.13, 0.00315285/step Wall: 9697.13, 0.00315285/step, 1.68993 hours remaining, 235.078125 MB of memory in use. ENERGY: 3070400 3909.8083 20333.9700 14481.8285 271.1155 -203294.1483 2731.9492 0.0000 0.0000 52150.3649 -109415.1119 299.7089 -161565.4768 -109058.4947 299.6354 -174.3432 -133.7057 762564.6089 0.6847 0.7221 PRESSURE: 3070600 111.259 -62.4734 -48.9805 -62.4738 114.172 -9.46714 -48.9806 -9.46743 -231.132 GPRESSURE: 3070600 175.222 -146.565 22.0804 -19.566 154.164 -31.2051 89.2712 -99.2177 -258.695 PRESSAVG: 3070600 -23.2843 -2.27188 79.5152 -2.27186 27.7055 -29.6861 79.5152 -29.6861 -1.6379 GPRESSAVG: 3070600 -22.0411 -3.52419 80.4552 -2.25619 27.6766 -30.7676 80.4868 -27.6378 -3.1976 TIMING: 3070600 CPU: 9697.76, 0.00316178/step Wall: 9697.76, 0.00316178/step, 1.69454 hours remaining, 235.078125 MB of memory in use. ENERGY: 3070600 3972.9070 20408.9510 14411.8984 243.7001 -203067.0935 2525.6616 0.0000 0.0000 51921.5593 -109582.4159 298.3939 -161503.9753 -109223.4347 299.0697 -1.9005 23.5637 763210.7160 0.9277 0.8126 PRESSURE: 3070800 -306.351 -3.09855 119.097 -3.09967 -113.415 31.5284 119.097 31.5281 -540.616 GPRESSURE: 3070800 -321.409 50.2578 170.531 41.0914 -64.4802 107.21 77.2266 37.4111 -487.803 PRESSAVG: 3070800 17.8318 -50.1997 15.4405 -50.1996 39.755 -13.16 15.4406 -13.16 17.757 GPRESSAVG: 3070800 17.4386 -49.8817 15.0355 -50.1861 39.4656 -13.1552 14.481 -13.1017 18.4809 TIMING: 3070800 CPU: 9698.4, 0.00317812/step Wall: 9698.4, 0.00317812/step, 1.70312 hours remaining, 235.078125 MB of memory in use. ENERGY: 3070800 3999.2590 20527.9154 14345.2621 241.7572 -203053.7138 2270.7060 0.0000 0.0000 51857.8782 -109810.9359 298.0279 -161668.8141 -109446.3273 299.0113 -320.1275 -291.2309 762216.6347 25.1146 25.1284 PRESSURE: 3071000 -396.581 -66.9774 9.00303 -66.9775 -15.1707 198.393 9.00318 198.393 159.518 GPRESSURE: 3071000 -293.986 -102.766 181.499 -127.745 39.0342 216.663 37.8297 211.392 77.2055 PRESSAVG: 3071000 -65.1729 -0.0138449 28.7921 -0.0138483 18.6476 4.81461 28.7921 4.81457 4.29098 GPRESSAVG: 3071000 -66.0722 0.359638 28.1051 1.19373 19.0655 4.43331 27.6331 5.62532 4.82513 TIMING: 3071000 CPU: 9699.03, 0.00316188/step Wall: 9699.03, 0.00316188/step, 1.69424 hours remaining, 235.078125 MB of memory in use. ENERGY: 3071000 3910.4258 20346.9877 14397.8027 254.3795 -203454.8821 2579.3992 0.0000 0.0000 51950.8068 -110015.0803 298.5620 -161965.8872 -109648.2699 298.3397 -84.0780 -59.2489 761004.3412 -14.0781 -14.0605 PRESSURE: 3071200 -335.573 64.2348 125.408 64.2341 242.942 -56.4626 125.407 -56.4634 16.797 GPRESSURE: 3071200 -326.869 70.0302 130.65 242.621 307.61 -87.7001 8.3585 -65.263 18.4775 PRESSAVG: 3071200 -8.53277 -14.7366 36.7729 -14.7365 24.7578 -15.6413 36.7728 -15.6412 -9.80423 GPRESSAVG: 3071200 -6.65274 -15.1492 35.0131 -13.7829 24.5425 -15.208 38.641 -15.5566 -11.4461 TIMING: 3071200 CPU: 9699.66, 0.00314411/step Wall: 9699.66, 0.00314411/step, 1.68454 hours remaining, 235.078125 MB of memory in use. ENERGY: 3071200 3969.3489 20462.5530 14345.4797 251.9062 -203859.8962 3034.2172 0.0000 0.0000 51983.9967 -109812.3944 298.7527 -161796.3911 -109449.1781 298.3599 -25.2783 -0.2606 761570.7608 2.1403 2.1479 PRESSURE: 3071400 267.942 -69.3218 123.682 -69.3214 -371.346 16.9205 123.683 16.9198 482.413 GPRESSURE: 3071400 171.773 111.003 74.2298 -189.139 -254.85 -49.3739 140.969 66.039 545.92 PRESSAVG: 3071400 8.10608 5.0977 37.2291 5.09771 -37.9231 13.2438 37.2291 13.2438 -2.68726 GPRESSAVG: 3071400 6.40004 6.21112 39.1395 2.79472 -38.1763 13.1271 37.7743 10.6909 -1.00241 TIMING: 3071400 CPU: 9700.29, 0.00314216/step Wall: 9700.29, 0.00314216/step, 1.68332 hours remaining, 235.078125 MB of memory in use. ENERGY: 3071400 3945.7090 20416.5113 14308.8424 254.1386 -203499.9230 2761.3480 0.0000 0.0000 52035.4751 -109777.8985 299.0486 -161813.3735 -109412.1064 298.6897 126.3363 154.2809 761902.1016 -10.8347 -10.9262 PRESSURE: 3071600 -134.751 -20.0716 193.504 -20.0711 -355.478 129.335 193.504 129.335 116.737 GPRESSURE: 3071600 -91.0249 24.9185 212.152 -52.0274 -257.963 173.119 43.1431 57.8976 66.0087 PRESSAVG: 3071600 55.2319 0.52898 17.5047 0.528964 -24.8688 -6.32131 17.5047 -6.32131 9.09164 GPRESSAVG: 3071600 55.7389 0.189488 17.1714 1.35174 -25.3002 -6.29609 15.3255 -5.49892 8.4064 TIMING: 3071600 CPU: 9700.92, 0.00314236/step Wall: 9700.92, 0.00314236/step, 1.68326 hours remaining, 235.078125 MB of memory in use. ENERGY: 3071600 3963.5152 20450.6314 14428.5687 254.2293 -203193.8032 2398.7594 0.0000 0.0000 52139.2328 -109558.8665 299.6449 -161698.0993 -109194.8026 299.3669 -124.4976 -94.3263 760246.1451 13.1516 12.9484 PRESSURE: 3071800 96.227 34.3761 -234.356 34.3768 -95.9115 211.204 -234.356 211.204 301.202 GPRESSURE: 3071800 122.785 117.902 -221.093 35.1798 -28.5923 253.97 -91.4803 246.092 311.264 PRESSAVG: 3071800 61.4518 27.2323 15.7989 27.2323 -33.0768 26.9846 15.7989 26.9846 19.2071 GPRESSAVG: 3071800 61.5077 27.5926 15.4653 26.5622 -32.8613 28.1804 15.3212 25.8989 19.0701 TIMING: 3071800 CPU: 9701.55, 0.00315344/step Wall: 9701.55, 0.00315344/step, 1.68902 hours remaining, 235.078125 MB of memory in use. ENERGY: 3071800 4025.2200 20493.2989 14402.2541 239.4761 -203186.9398 2486.9325 0.0000 0.0000 52066.2837 -109473.4744 299.2256 -161539.7581 -109105.1137 299.3002 100.5059 135.1524 760372.4593 15.8607 15.9055 PRESSURE: 3072000 16.7726 26.2598 148.984 26.2605 -215.381 220.634 148.984 220.634 119.796 GPRESSURE: 3072000 50.0078 54.7038 149.177 -9.24735 -168.049 198.263 173.014 153.77 109.048 PRESSAVG: 3072000 11.1643 17.8439 -27.578 17.8439 -13.832 -23.3584 -27.578 -23.3584 5.67412 GPRESSAVG: 3072000 8.7848 18.8442 -27.0959 16.9647 -12.4198 -24.8892 -24.9654 -22.575 6.77406 TIMING: 3072000 CPU: 9702.17, 0.00313426/step Wall: 9702.17, 0.00313426/step, 1.67857 hours remaining, 235.078125 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: 3072000 4015.1435 20500.8638 14398.8695 243.6911 -202943.4770 2331.2221 0.0000 0.0000 52242.4020 -109211.2851 300.2378 -161453.6871 -108844.2528 299.7708 -26.2708 -2.9977 760130.5583 1.0021 1.0464 PRESSURE: 3072200 -235.353 -80.5726 218.997 -80.5732 82.9996 -32.5508 218.996 -32.5505 -431.687 GPRESSURE: 3072200 -142.879 100.349 234.322 -167.305 50.6251 -104.941 200.388 96.5022 -406.563 PRESSAVG: 3072200 -24.7255 -23.3583 -1.083 -23.3583 21.5404 -17.3198 -1.08308 -17.3198 -2.3575 GPRESSAVG: 3072200 -22.8398 -24.5681 -2.20496 -21.2558 20.1874 -15.6996 -1.58137 -16.5385 -2.71614 TIMING: 3072200 CPU: 9702.8, 0.00314955/step Wall: 9702.8, 0.00314955/step, 1.68658 hours remaining, 235.078125 MB of memory in use. ENERGY: 3072200 3941.3676 20479.7189 14404.7139 237.4664 -203063.0324 2245.5239 0.0000 0.0000 52234.9317 -109519.3101 300.1949 -161754.2418 -109147.8872 299.5323 -194.6800 -166.2726 760729.7368 -1.8475 -1.7895 LDB: ============= START OF LOAD BALANCING ============== 9715.34 LDB: ============== END OF LOAD BALANCING =============== 9715.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9715.34 LDB: ============= START OF LOAD BALANCING ============== 9715.66 LDB: Largest compute 7075 load 0.032821 is 16.8% of average load 0.195679 LDB: Average compute 0.004389 is 2.2% of average load 0.195679 LDB: TIME 9715.66 LOAD: AVG 0.195679 MAX 0.215777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.16 MB LDB: TIME 9715.66 LOAD: AVG 0.195679 MAX 0.215777 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: TIME 9715.66 LOAD: AVG 0.195679 MAX 0.215777 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.363 MB LDB: ============== END OF LOAD BALANCING =============== 9715.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9715.67 PRESSURE: 3072400 -327.536 -147.18 -265.831 -147.18 -228.64 82.7387 -265.831 82.739 323.369 GPRESSURE: 3072400 -288.635 -270.803 -247.801 -138.853 -239.742 41.752 -208.776 40.1986 390.341 PRESSAVG: 3072400 -33.956 -30.1549 -49.1116 -30.1549 -17.885 27.869 -49.1116 27.8691 12.3229 GPRESSAVG: 3072400 -33.4888 -30.8921 -48.3853 -30.6112 -17.653 26.8483 -50.8726 28.4452 12.2963 TIMING: 3072400 CPU: 9703.45, 0.0032306/step Wall: 9703.45, 0.0032306/step, 1.72981 hours remaining, 235.781250 MB of memory in use. ENERGY: 3072400 3933.5984 20444.4566 14471.7771 242.1270 -203201.6832 2403.2977 0.0000 0.0000 52268.8191 -109437.6072 300.3896 -161706.4263 -109070.6534 299.0365 -77.6025 -46.0121 761112.1934 -13.1727 -12.9485 PRESSURE: 3072600 65.639 -85.7276 18.6805 -85.7284 -183.147 -79.797 18.6793 -79.7963 -79.8952 GPRESSURE: 3072600 106.737 -165.035 83.0189 7.22307 -161.305 -98.9304 101.064 -75.6001 -45.9798 PRESSAVG: 3072600 -17.4232 -18.6329 -0.559339 -18.6329 -48.6611 45.5964 -0.559408 45.5964 1.63867 GPRESSAVG: 3072600 -17.7074 -21.4344 1.11087 -16.7613 -48.3128 46.8262 1.90734 42.6691 1.85059 TIMING: 3072600 CPU: 9704.08, 0.00314971/step Wall: 9704.08, 0.00314971/step, 1.68632 hours remaining, 235.781250 MB of memory in use. ENERGY: 3072600 4046.7270 20412.7883 14490.7523 255.0593 -203048.7211 2391.3410 0.0000 0.0000 52042.5542 -109409.4989 299.0893 -161452.0531 -109053.1257 299.8976 -65.8009 -33.5158 760616.9769 -21.4819 -21.3899 PRESSURE: 3072800 -232.433 -250.672 217.109 -250.672 128.106 48.7155 217.109 48.7148 -427.343 GPRESSURE: 3072800 -221.995 -236.024 157.874 -215.222 145.254 -8.89036 200.109 71.6929 -374.927 PRESSAVG: 3072800 39.7956 -4.92188 -16.0558 -4.92187 -8.75205 -32.3524 -16.0559 -32.3525 -11.7088 GPRESSAVG: 3072800 39.356 -1.4463 -16.2989 -5.96064 -8.87751 -34.0835 -19.1331 -29.0484 -11.0509 TIMING: 3072800 CPU: 9704.71, 0.00316198/step Wall: 9704.71, 0.00316198/step, 1.69271 hours remaining, 235.781250 MB of memory in use. ENERGY: 3072800 4009.7203 20605.9905 14434.3044 244.6462 -202989.6807 2387.2606 0.0000 0.0000 52123.9485 -109183.8102 299.5570 -161307.7587 -108821.1450 299.9348 -177.2232 -150.5560 762323.0571 6.4449 6.4759 PRESSURE: 3073000 -211.121 -168.973 22.4194 -168.974 -274.432 -11.3847 22.4196 -11.3841 -102.283 GPRESSURE: 3073000 -231.844 -131.118 -0.600633 -147.801 -245.619 -4.49794 58.688 -15.3064 -36.9992 PRESSAVG: 3073000 -14.5404 9.29933 -6.48346 9.2993 18.3261 6.44102 -6.48346 6.441 0.516992 GPRESSAVG: 3073000 -14.5918 9.20618 -7.86658 8.34167 19.3739 7.43594 -4.46355 4.80882 -0.60419 TIMING: 3073000 CPU: 9705.34, 0.00315285/step Wall: 9705.34, 0.00315285/step, 1.68765 hours remaining, 235.781250 MB of memory in use. ENERGY: 3073000 3960.5497 20404.7927 14436.5980 264.5357 -202656.9016 2213.0056 0.0000 0.0000 52203.6334 -109173.7866 300.0150 -161377.4200 -108808.0936 299.9596 -195.9450 -171.4874 762580.8628 1.4342 1.3926 PRESSURE: 3073200 -290.892 -30.8274 -146.808 -30.8273 -28.1478 120.626 -146.809 120.626 376.298 GPRESSURE: 3073200 -206.088 7.14023 -110.525 -109.312 34.3575 56.6046 -21.7641 157.692 304.682 PRESSAVG: 3073200 -5.48274 -20.0784 14.5517 -20.0783 28.1305 -12.8104 14.5517 -12.8105 -10.0952 GPRESSAVG: 3073200 -5.14212 -21.9202 15.8977 -20.1596 28.4432 -12.7056 13.5079 -10.8575 -10.7626 TIMING: 3073200 CPU: 9705.97, 0.00315777/step Wall: 9705.97, 0.00315777/step, 1.69011 hours remaining, 235.781250 MB of memory in use. ENERGY: 3073200 3895.1816 20641.2538 14359.1283 252.0180 -202721.7369 2435.7185 0.0000 0.0000 51960.2079 -109178.2287 298.6160 -161138.4366 -108813.3199 299.6940 19.0860 44.3171 762861.3803 4.1842 4.1795 PRESSURE: 3073400 356.256 262.657 -194.029 262.657 121.305 262.384 -194.03 262.384 240.627 GPRESSURE: 3073400 436.371 227.068 -179.514 166.694 150.211 296.901 -118.252 135.102 222.73 PRESSAVG: 3073400 14.4985 30.6355 27.0253 30.6355 2.72308 -31.2608 27.0252 -31.2607 21.7096 GPRESSAVG: 3073400 14.4585 29.2961 26.9488 30.7186 1.97582 -32.7243 28.1995 -33.4835 22.2255 TIMING: 3073400 CPU: 9706.6, 0.00315198/step Wall: 9706.6, 0.00315198/step, 1.68684 hours remaining, 235.781250 MB of memory in use. ENERGY: 3073400 3915.4391 20365.3903 14378.2877 241.3604 -203236.4229 2753.4526 0.0000 0.0000 52247.1255 -109335.3673 300.2649 -161582.4928 -108963.4817 299.8117 239.3961 269.7707 761502.4649 12.9771 12.8866 PRESSURE: 3073600 262.329 -42.5357 337.175 -42.5356 -62.6971 -194.418 337.175 -194.418 651.573 GPRESSURE: 3073600 183.723 17.8032 363.348 -7.35641 -51.9497 -204.565 182.965 -183.865 779.467 PRESSAVG: 3073600 -0.327494 -1.9355 14.4837 -1.9355 42.0663 -30.3602 14.4836 -30.3601 20.8094 GPRESSAVG: 3073600 -1.4687 -0.0249084 15.1071 -2.2599 42.3957 -30.0071 13.3801 -29.8223 21.397 TIMING: 3073600 CPU: 9707.24, 0.00315345/step Wall: 9707.24, 0.00315345/step, 1.68745 hours remaining, 235.781250 MB of memory in use. ENERGY: 3073600 3905.4378 20463.3933 14407.0845 240.7810 -203533.0742 2849.0323 0.0000 0.0000 52218.3242 -109449.0211 300.0994 -161667.3453 -109089.2984 299.8186 283.7348 303.7466 761930.3599 20.8494 20.7747 PRESSURE: 3073800 4.27415 130.945 -156.51 130.945 -189.218 -74.6903 -156.511 -74.6899 352.138 GPRESSURE: 3073800 62.033 103.219 -138.796 50.4541 -132.821 -149.194 -62.03 -39.402 305.478 PRESSAVG: 3073800 32.3123 -9.30912 4.00828 -9.30909 -49.253 23.1792 4.00825 23.1793 10.4274 GPRESSAVG: 3073800 33.2377 -8.60537 1.35384 -8.52046 -48.8949 23.7276 3.87458 24.0977 8.91572 TIMING: 3073800 CPU: 9707.87, 0.00317274/step Wall: 9707.87, 0.00317274/step, 1.69759 hours remaining, 235.781250 MB of memory in use. ENERGY: 3073800 3979.0262 20407.0654 14407.4299 224.8205 -203222.6629 2741.3842 0.0000 0.0000 51976.4676 -109486.4693 298.7095 -161462.9368 -109122.1704 299.0262 55.7314 78.2300 762777.3435 -2.1711 -2.2472 PRESSURE: 3074000 -193.147 -94.6733 -23.5147 -94.6741 -92.2131 3.79446 -23.5148 3.79427 -129.826 GPRESSURE: 3074000 -76.3808 -93.51 -32.6155 -70.773 -37.6659 -102.293 -38.8559 35.3293 -206.03 PRESSAVG: 3074000 37.6138 33.1257 -20.1558 33.1257 -37.5913 -26.3544 -20.1558 -26.3544 -4.78276 GPRESSAVG: 3074000 38.1001 31.8279 -18.5958 30.6215 -38.6306 -25.4165 -20.4971 -27.9963 -4.15686 TIMING: 3074000 CPU: 9708.5, 0.00316938/step Wall: 9708.5, 0.00316938/step, 1.69562 hours remaining, 235.781250 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: 3074000 4053.5230 20387.4799 14417.2715 234.0660 -203357.6296 2604.6994 0.0000 0.0000 52172.3001 -109488.2898 299.8349 -161660.5899 -109130.2469 298.9985 -138.3954 -106.6922 763075.3923 -1.5867 -1.5624 PRESSURE: 3074200 -47.417 -127.119 -146.258 -127.12 -70.2028 228.674 -146.259 228.674 -34.1895 GPRESSURE: 3074200 31.2009 -90.1565 -270.893 -97.8753 -42.1366 163.353 -84.6122 328.326 -26.4304 PRESSAVG: 3074200 7.13413 -56.4937 -27.9759 -56.4938 -25.4487 50.2098 -27.976 50.2099 -10.5374 GPRESSAVG: 3074200 6.91707 -54.9571 -28.1222 -53.4814 -25.0684 48.3961 -25.5584 54.8178 -10.1013 TIMING: 3074200 CPU: 9709.14, 0.00316702/step Wall: 9709.14, 0.00316702/step, 1.69418 hours remaining, 235.781250 MB of memory in use. ENERGY: 3074200 3995.7307 20308.1273 14458.9292 234.1928 -203412.3385 2903.4840 0.0000 0.0000 52105.0959 -109406.7785 299.4487 -161511.8744 -109051.8978 299.5062 -50.6031 -12.4554 761682.8256 -9.6173 -9.4176 PRESSURE: 3074400 -87.0769 -165.195 85.5681 -165.195 -258.833 -30.8866 85.5681 -30.8884 -335.006 GPRESSURE: 3074400 -104.468 -106.396 32.3108 -133.38 -166.463 -48.1113 152.56 -56.4907 -310.528 PRESSAVG: 3074400 35.5533 -7.97941 -38.1649 -7.97934 -23.1188 -44.797 -38.1648 -44.797 7.38968 GPRESSAVG: 3074400 34.6304 -9.43363 -37.8308 -9.51728 -21.8488 -43.605 -39.4746 -48.4158 6.8292 TIMING: 3074400 CPU: 9709.77, 0.00317308/step Wall: 9709.77, 0.00317308/step, 1.69724 hours remaining, 235.781250 MB of memory in use. ENERGY: 3074400 3972.1343 20557.6316 14338.7966 246.0224 -203137.5065 2400.3490 0.0000 0.0000 51960.5428 -109662.0299 298.6180 -161622.5727 -109305.2351 299.0169 -226.9720 -193.8197 762832.1238 6.6081 6.5369 PRESSURE: 3074600 -288.574 42.3955 146.139 42.3944 174.591 40.3 146.14 40.302 36.383 GPRESSURE: 3074600 -291.004 58.125 92.7422 83.5794 178.164 68.3375 106.497 27.4717 106.783 PRESSAVG: 3074600 -3.56885 -7.52514 -12.2374 -7.52519 7.0095 -10.3811 -12.2374 -10.3811 1.91293 GPRESSAVG: 3074600 -3.02661 -5.84134 -12.0535 -6.27001 6.78276 -10.3127 -13.1039 -10.2203 1.74094 TIMING: 3074600 CPU: 9710.4, 0.00316281/step Wall: 9710.4, 0.00316281/step, 1.69158 hours remaining, 235.781250 MB of memory in use. ENERGY: 3074600 3979.1413 20524.7479 14382.1443 224.5707 -203273.9034 2614.5402 0.0000 0.0000 51924.9151 -109623.8439 298.4132 -161548.7590 -109266.4924 298.7058 -25.8667 -2.0188 762464.0028 1.7845 1.8324 PRESSURE: 3074800 75.2038 -92.7239 79.654 -92.7238 -179.414 -194.777 79.6541 -194.776 -259.781 GPRESSURE: 3074800 -4.81461 -80.2724 102.691 -22.2435 17.0635 -153.437 -6.013 -40.4228 -279.147 PRESSAVG: 3074800 -18.0553 -28.5228 1.31498 -28.5229 40.2309 12.3867 1.31491 12.3867 -0.0250688 GPRESSAVG: 3074800 -17.8626 -29.4741 1.36167 -29.6063 39.6203 11.6863 0.954567 14.1673 0.381101 TIMING: 3074800 CPU: 9711.04, 0.00317059/step Wall: 9711.04, 0.00317059/step, 1.69556 hours remaining, 235.781250 MB of memory in use. ENERGY: 3074800 3973.1268 20536.6543 14412.4940 233.3398 -203418.8192 2696.3819 0.0000 0.0000 51826.6169 -109740.2056 297.8483 -161566.8225 -109385.8850 298.6492 -121.3305 -88.9660 763155.2218 7.3835 7.3796 PRESSURE: 3075000 24.5107 145.08 226.487 145.079 -400.382 -7.8293 226.487 -7.82744 79.788 GPRESSURE: 3075000 102.628 158.902 188.515 182.306 -359.627 -43.7037 156.676 -40.3135 51.7593 PRESSAVG: 3075000 -25.5569 -11.6379 2.25042 -11.6379 26.8344 -3.53512 2.25045 -3.53509 -17.3967 GPRESSAVG: 3075000 -24.4591 -11.1956 0.288233 -11.2729 26.4135 -2.92707 1.77979 -6.35135 -18.2353 TIMING: 3075000 CPU: 9711.67, 0.00313166/step Wall: 9711.67, 0.00313166/step, 1.67457 hours remaining, 235.781250 MB of memory in use. ENERGY: 3075000 3912.9341 20418.9428 14416.9278 241.2779 -203666.5702 2720.6999 0.0000 0.0000 52115.9284 -109839.8592 299.5110 -161955.7876 -109471.2778 298.6433 -98.6945 -68.4135 762494.1504 -5.3730 -5.4270 PRESSURE: 3075200 164.98 -176.191 -179.9 -176.19 -17.6684 428.542 -179.9 428.542 -130.882 GPRESSURE: 3075200 94.3129 -193.171 -188.177 -133.051 125.824 401.523 -137.283 355.619 -104.589 PRESSAVG: 3075200 -17.9731 0.417969 -76.8604 0.417922 3.05896 -16.2565 -76.8604 -16.2565 -16.301 GPRESSAVG: 3075200 -18.5186 -0.370219 -73.9153 -0.795569 2.84114 -17.2288 -76.7084 -17.4768 -16.153 TIMING: 3075200 CPU: 9712.3, 0.00315145/step Wall: 9712.3, 0.00315145/step, 1.68497 hours remaining, 235.781250 MB of memory in use. ENERGY: 3075200 3985.6542 20425.7993 14478.2609 247.9015 -203732.0795 2747.9720 0.0000 0.0000 52116.0860 -109730.4056 299.5119 -161846.4916 -109359.2134 298.6205 5.4766 38.5159 763040.8424 -10.4050 -10.6102 PRESSURE: 3075400 233.695 56.0755 237.135 56.0755 -178.258 101.68 237.136 101.68 198.453 GPRESSURE: 3075400 257.058 5.40522 131.842 27.0411 -10.5548 83.6806 246.663 256.174 106.347 PRESSAVG: 3075400 26.6824 -8.97939 -43.8019 -8.97933 -11.8009 31.6792 -43.802 31.6793 -3.52768 GPRESSAVG: 3075400 26.0908 -8.95727 -44.9927 -8.12665 -10.1484 31.4013 -42.584 34.3452 -4.37666 TIMING: 3075400 CPU: 9712.92, 0.0031421/step Wall: 9712.92, 0.0031421/step, 1.6798 hours remaining, 235.781250 MB of memory in use. ENERGY: 3075400 3979.5429 20462.7697 14410.1876 244.4255 -203690.8478 2952.5864 0.0000 0.0000 52227.0082 -109414.3276 300.1493 -161641.3358 -109047.6354 298.9013 84.6299 117.6169 761633.3774 3.7846 3.8553 PRESSURE: 3075600 100.24 77.2942 -53.9338 77.2935 -155.821 -87.6397 -53.9334 -87.6392 101.151 GPRESSURE: 3075600 129.237 61.3257 -98.6267 87.1559 -117.6 -121.934 -3.27543 -150.569 132.058 PRESSAVG: 3075600 0.532235 -26.8845 55.0144 -26.8846 36.612 -11.2678 55.0144 -11.2678 -7.09632 GPRESSAVG: 3075600 -0.153661 -28.6732 56.8284 -26.7425 36.1708 -10.6228 55.8015 -12.1618 -5.78678 TIMING: 3075600 CPU: 9713.55, 0.0031327/step Wall: 9713.55, 0.0031327/step, 1.6746 hours remaining, 235.781250 MB of memory in use. ENERGY: 3075600 4037.1695 20494.2894 14369.0415 240.2347 -203423.6599 2654.6809 0.0000 0.0000 52288.1965 -109340.0475 300.5010 -161628.2440 -108981.4782 299.3835 15.1898 47.8983 762504.0769 10.0160 10.0768 PRESSURE: 3075800 -44.0044 -106.179 -253.738 -106.179 182.442 -38.7116 -253.738 -38.7115 -115.192 GPRESSURE: 3075800 -12.0661 -92.5392 -227.977 -162.564 91.1654 -122.21 -104.294 -24.296 0.864737 PRESSAVG: 3075800 -32.5942 -6.92322 39.1825 -6.92324 18.9738 41.6566 39.1825 41.6566 9.13096 GPRESSAVG: 3075800 -31.2076 -5.33128 37.1715 -7.14357 17.3514 42.0603 38.3774 42.257 8.88864 TIMING: 3075800 CPU: 9714.18, 0.00313562/step Wall: 9714.18, 0.00313562/step, 1.67599 hours remaining, 235.781250 MB of memory in use. ENERGY: 3075800 4061.8736 20488.7519 14475.3238 234.0229 -203469.9062 2776.1002 0.0000 0.0000 52065.5756 -109368.2582 299.2216 -161433.8339 -109006.2270 299.6899 7.7487 26.6547 761943.4152 -1.4965 -1.6559 PRESSURE: 3076000 -232.251 74.3009 222.183 74.301 149.462 44.5616 222.183 44.5626 -360.439 GPRESSURE: 3076000 -49.5053 178.098 265.84 112.787 69.1844 7.12231 268.131 38.9626 -374.719 PRESSAVG: 3076000 25.9446 29.4398 -2.6239 29.4398 -3.29606 2.64767 -2.62386 2.64771 5.40825 GPRESSAVG: 3076000 25.1051 31.0623 -2.11298 29.4719 -2.60222 2.5011 -1.32343 6.17775 5.47345 TIMING: 3076000 CPU: 9714.81, 0.00314004/step Wall: 9714.81, 0.00314004/step, 1.67818 hours remaining, 235.781250 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: 3076000 4101.3709 20640.1637 14467.8432 245.6731 -203391.0051 2657.2106 0.0000 0.0000 52020.4687 -109258.2748 298.9623 -161278.7435 -108907.4778 299.9563 -147.7429 -118.3466 762471.0775 9.3523 9.3255 PRESSURE: 3076200 -490.322 35.7971 92.6674 35.7966 -15.5358 -89.6412 92.6669 -89.6412 -312.433 GPRESSURE: 3076200 -516.85 98.7981 88.9755 100.246 26.5332 -2.47074 176.591 -71.7568 -248.214 PRESSAVG: 3076200 -15.6618 10.4579 -29.1351 10.4579 -9.29707 13.2916 -29.1352 13.2916 -8.10703 GPRESSAVG: 3076200 -15.2763 10.8459 -26.6079 10.648 -9.00903 12.9291 -31.8983 10.1606 -8.91756 TIMING: 3076200 CPU: 9715.43, 0.00313431/step Wall: 9715.43, 0.00313431/step, 1.67494 hours remaining, 235.781250 MB of memory in use. ENERGY: 3076200 4064.7892 20667.8701 14410.3519 258.8332 -203030.3318 2382.7612 0.0000 0.0000 51974.0437 -109271.6826 298.6955 -161245.7263 -108914.9659 299.3158 -272.7636 -246.1771 762432.6327 -11.0220 -11.0676 LDB: ============= START OF LOAD BALANCING ============== 9727.96 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9727.96 LDB: =============== DONE WITH MIGRATION ================ 9727.97 LDB: ============= START OF LOAD BALANCING ============== 9728.28 LDB: Largest compute 7026 load 0.032074 is 16.4% of average load 0.195651 LDB: Average compute 0.004372 is 2.2% of average load 0.195651 LDB: TIME 9728.28 LOAD: AVG 0.195651 MAX 0.215007 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.145 MB LDB: TIME 9728.28 LOAD: AVG 0.195651 MAX 0.215007 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: TIME 9728.28 LOAD: AVG 0.195651 MAX 0.215007 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.148 MB LDB: ============== END OF LOAD BALANCING =============== 9728.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9728.29 PRESSURE: 3076400 10.9905 -17.7171 38.4501 -17.717 126.888 -7.89208 38.4499 -7.89196 -136.002 GPRESSURE: 3076400 -12.3517 2.16272 126.944 -22.4588 182.812 -13.5943 57.4485 -52.5003 -83.1649 PRESSAVG: 3076400 17.3993 29.8341 -43.0405 29.8341 11.216 -41.5588 -43.0405 -41.5589 5.46247 GPRESSAVG: 3076400 16.7714 26.8417 -44.4244 28.7529 10.025 -41.2898 -43.5952 -42.4074 7.58353 TIMING: 3076400 CPU: 9716.07, 0.00321241/step Wall: 9716.07, 0.00321241/step, 1.7165 hours remaining, 235.585938 MB of memory in use. ENERGY: 3076400 3971.0606 20608.1531 14397.6067 247.0752 -203316.3845 2639.6472 0.0000 0.0000 52162.7065 -109290.1354 299.7798 -161452.8419 -108939.6969 299.5326 0.6256 29.0984 763005.8570 11.3593 11.4600 PRESSURE: 3076600 -151.039 21.822 162.372 21.8215 47.417 -11.2036 162.373 -11.2049 153.003 GPRESSURE: 3076600 -115.526 38.4043 122.809 -0.881126 96.3046 -14.4024 129.884 -76.3505 147.592 PRESSAVG: 3076600 11.9532 2.26437 -55.7222 2.26436 46.9214 12.755 -55.7222 12.755 -6.85275 GPRESSAVG: 3076600 11.921 1.86414 -57.737 4.15658 47.2096 11.9045 -52.6264 14.1625 -7.16532 TIMING: 3076600 CPU: 9716.7, 0.00314957/step Wall: 9716.7, 0.00314958/step, 1.68275 hours remaining, 235.585938 MB of memory in use. ENERGY: 3076600 4090.6072 20462.3967 14395.0856 235.4674 -203368.7631 2814.3962 0.0000 0.0000 52211.3724 -109159.4375 300.0595 -161370.8099 -108799.0256 299.4839 16.4602 42.7900 763030.9991 17.3406 17.3217 PRESSURE: 3076800 47.4364 249.017 -190.144 249.017 -74.2724 19.4649 -190.144 19.465 391.9 GPRESSURE: 3076800 124.584 171.069 -146.91 260.358 -77.8185 54.6254 -125.87 -83.0489 370.407 PRESSAVG: 3076800 21.4268 -10.3184 -61.1318 -10.3184 -33.0201 25.1908 -61.1318 25.1908 -10.3809 GPRESSAVG: 3076800 22.7954 -8.99879 -59.9605 -10.2839 -32.8689 26.5815 -62.3698 24.5562 -11.1621 TIMING: 3076800 CPU: 9717.33, 0.00314989/step Wall: 9717.33, 0.00314989/step, 1.68274 hours remaining, 235.585938 MB of memory in use. ENERGY: 3076800 3987.0293 20613.1340 14454.7865 226.4612 -203102.4218 2673.1130 0.0000 0.0000 51941.2221 -109206.6755 298.5069 -161147.8976 -108847.4878 299.7200 121.6881 139.0575 760332.2836 -7.3248 -7.0785 PRESSURE: 3077000 70.8748 205.009 181.557 205.009 -83.3922 -40.9792 181.558 -40.9782 38.6097 GPRESSURE: 3077000 71.6308 312.991 199.784 210.286 -32.1492 7.21349 198.64 93.9624 74.965 PRESSAVG: 3077000 29.3948 -7.38513 -19.5434 -7.38519 5.92381 -9.17923 -19.5434 -9.17914 3.79384 GPRESSAVG: 3077000 30.1051 -7.80734 -20.3597 -6.89394 4.57452 -8.58767 -20.476 -9.15833 3.96733 TIMING: 3077000 CPU: 9717.97, 0.00316103/step Wall: 9717.97, 0.00316103/step, 1.68852 hours remaining, 235.585938 MB of memory in use. ENERGY: 3077000 3972.4993 20624.0577 14347.3368 253.5871 -203227.9095 2813.8270 0.0000 0.0000 52116.3312 -109100.2705 299.5133 -161216.6017 -108741.1986 299.9568 8.6974 38.1489 760499.0087 13.0375 12.8823 PRESSURE: 3077200 -149.835 95.8121 20.8274 95.8125 263.815 -174.093 20.8285 -174.092 171.861 GPRESSURE: 3077200 -125.009 108.745 -32.4156 13.2923 217.068 -153.958 57.7538 -45.6523 287.663 PRESSAVG: 3077200 -0.45349 -61.5619 -58.0415 -61.5619 -47.6015 -3.87453 -58.0415 -3.87443 16.7023 GPRESSAVG: 3077200 -1.96066 -59.1978 -56.0558 -63.9087 -45.9483 -4.81472 -58.6148 -4.51839 17.1626 TIMING: 3077200 CPU: 9718.59, 0.00313735/step Wall: 9718.59, 0.00313735/step, 1.6757 hours remaining, 235.585938 MB of memory in use. ENERGY: 3077200 4043.0176 20492.3874 14320.1286 246.1347 -203142.9273 2577.7473 0.0000 0.0000 52231.3581 -109232.1536 300.1743 -161463.5117 -108869.4050 299.7368 95.2802 126.5741 763098.5506 -10.4509 -10.2488 PRESSURE: 3077400 -252.597 -11.5669 -130.985 -11.5669 -5.3731 121.511 -130.984 121.511 -466.359 GPRESSURE: 3077400 -212.574 -6.70916 -90.94 -78.8711 -54.4948 180.208 -111.847 136.254 -349.467 PRESSAVG: 3077400 -26.1207 -23.567 -11.455 -23.567 57.8285 -16.084 -11.4551 -16.0841 13.4887 GPRESSAVG: 3077400 -26.5621 -26.1317 -12.7965 -21.994 58.583 -16.0786 -9.3156 -16.7609 13.1146 TIMING: 3077400 CPU: 9719.22, 0.00312708/step Wall: 9719.22, 0.00312708/step, 1.67004 hours remaining, 235.585938 MB of memory in use. ENERGY: 3077400 4044.2534 20499.5421 14317.3795 230.8511 -202884.0110 2317.9071 0.0000 0.0000 51965.4762 -109508.6017 298.6463 -161474.0779 -109144.2956 299.2143 -241.4430 -205.5119 762353.5755 15.0655 15.0452 PRESSURE: 3077600 -367.166 -88.1535 21.5978 -88.154 -324.466 -51.08 21.5974 -51.0807 -9.4488 GPRESSURE: 3077600 -257.561 -160.198 95.6086 -154.329 -345.583 -90.2304 17.9716 67.2762 -38.1064 PRESSAVG: 3077600 -54.2049 -21.9577 -15.9522 -21.9577 81.0353 25.0117 -15.9521 25.0117 -1.69458 GPRESSAVG: 3077600 -53.3766 -21.2063 -16.0892 -21.9165 79.0293 26.4108 -16.4494 25.9937 -0.799651 TIMING: 3077600 CPU: 9719.85, 0.00314811/step Wall: 9719.85, 0.00314811/step, 1.68109 hours remaining, 235.585938 MB of memory in use. ENERGY: 3077600 3971.0087 20696.6376 14425.0335 257.3434 -203498.6948 2550.2120 0.0000 0.0000 52015.4404 -109583.0191 298.9335 -161598.4596 -109225.5067 299.4932 -233.6934 -213.7503 761157.1906 8.3786 8.2843 PRESSURE: 3077800 -100.668 -94.1609 -264.667 -94.1607 -164.551 -199.074 -264.665 -199.074 31.0474 GPRESSURE: 3077800 -122.072 -88.608 -301.444 -136.579 -86.4606 -216.349 -276.551 -133.053 48.293 PRESSAVG: 3077800 -77.5692 -55.4906 28.1098 -55.4905 5.7823 -34.1216 28.1098 -34.1216 10.8564 GPRESSAVG: 3077800 -78.9797 -54.7659 28.4016 -56.7176 7.67327 -34.2544 27.9972 -35.9002 10.4558 TIMING: 3077800 CPU: 9720.48, 0.00314353/step Wall: 9720.48, 0.00314353/step, 1.67847 hours remaining, 235.585938 MB of memory in use. ENERGY: 3077800 3931.1184 20519.8554 14371.0648 259.7708 -203029.4177 2373.9795 0.0000 0.0000 51850.1977 -109723.4310 297.9838 -161573.6287 -109357.0543 299.1686 -78.0573 -53.4132 762586.3053 -20.3101 -20.2835 PRESSURE: 3078000 355.188 130.288 30.0309 130.288 -182.226 45.4951 30.0307 45.4961 -494.476 GPRESSURE: 3078000 277.601 172.999 -19.1318 92.1263 -113.645 33.7461 14.9331 123.891 -406.112 PRESSAVG: 3078000 -22.5285 -36.032 -26.641 -36.032 12.8732 -0.00870394 -26.6411 -0.00867679 -2.94271 GPRESSAVG: 3078000 -22.4667 -36.2895 -27.4778 -36.3768 13.6772 -1.06899 -26.0961 1.59412 -3.85592 TIMING: 3078000 CPU: 9721.11, 0.00314557/step Wall: 9721.11, 0.00314557/step, 1.67939 hours remaining, 235.585938 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: 3078000 3985.1169 20289.2012 14410.0243 238.5265 -203039.0367 2348.4527 0.0000 0.0000 52181.6600 -109586.0551 299.8887 -161767.7151 -109217.7124 298.7297 -107.1713 -80.7184 761950.3646 -4.1994 -4.2151 PRESSURE: 3078200 -338.291 -107.474 234.708 -107.474 -25.2508 -57.9976 234.708 -57.9975 36.8155 GPRESSURE: 3078200 -275.22 29.2112 309.429 -32.29 -94.1563 -34.6601 172.983 -39.7581 139.38 PRESSAVG: 3078200 -60.6918 -19.5023 -19.5126 -19.5023 67.0304 21.2792 -19.5125 21.2791 -2.97368 GPRESSAVG: 3078200 -60.4394 -19.041 -16.8105 -18.2285 65.9113 22.0105 -23.1538 20.3302 -2.32152 TIMING: 3078200 CPU: 9721.73, 0.00312925/step Wall: 9721.73, 0.00312925/step, 1.6705 hours remaining, 235.585938 MB of memory in use. ENERGY: 3078200 3966.8491 20651.6288 14385.9349 253.4660 -203299.2063 2527.1801 0.0000 0.0000 52041.4681 -109472.6793 299.0830 -161514.1475 -109116.6172 299.0074 -108.9086 -76.6655 762408.1045 1.1216 1.0501 PRESSURE: 3078400 -207.985 -130.137 -216.21 -130.137 -176.552 -302.204 -216.209 -302.205 111.284 GPRESSURE: 3078400 -182.401 -117.455 -252.491 -111.684 -17.2953 -242.245 -86.8423 -209.017 11.0175 PRESSAVG: 3078400 -7.76128 -4.38757 -16.6481 -4.38756 21.7619 7.57282 -16.648 7.57282 -31.2224 GPRESSAVG: 3078400 -8.38657 -3.76439 -18.3679 -2.97976 22.4208 7.06031 -12.3813 6.52576 -30.892 TIMING: 3078400 CPU: 9722.36, 0.00314453/step Wall: 9722.36, 0.00314453/step, 1.67848 hours remaining, 235.585938 MB of memory in use. ENERGY: 3078400 3974.0160 20380.8535 14334.9817 241.9021 -203351.9056 2481.2605 0.0000 0.0000 52437.7932 -109501.0986 301.3607 -161938.8918 -109131.2813 299.3290 -91.0845 -62.8931 762201.7023 -5.7406 -5.6193 PRESSURE: 3078600 288.784 124.995 209.571 124.995 -137.077 251.696 209.572 251.697 200.157 GPRESSURE: 3078600 301.267 132.808 238.77 133.899 -140.054 216.226 208.315 154.058 280.581 PRESSAVG: 3078600 34.2407 -45.329 -32.5886 -45.329 -32.5203 8.56158 -32.5887 8.56163 19.3915 GPRESSAVG: 3078600 34.8254 -46.5028 -34.0188 -46.3843 -32.9843 6.98174 -33.2805 8.18556 19.2393 TIMING: 3078600 CPU: 9722.99, 0.00313153/step Wall: 9722.99, 0.00313153/step, 1.67137 hours remaining, 235.585938 MB of memory in use. ENERGY: 3078600 3967.0461 20499.3961 14334.5213 269.1963 -203328.6462 2641.0351 0.0000 0.0000 52219.4976 -109397.9536 300.1062 -161617.4512 -109032.9306 299.5926 117.2880 147.2644 761269.2006 7.0373 7.0268 PRESSURE: 3078800 271.45 78.0952 6.29591 78.0965 -44.8977 12.7641 6.29625 12.7636 -128.801 GPRESSURE: 3078800 189.222 -29.2035 14.085 109.906 118.877 77.4849 -22.0172 67.7565 -131.802 PRESSAVG: 3078800 18.9634 -28.5164 -21.5249 -28.5164 -16.2566 3.66791 -21.5249 3.66783 3.86412 GPRESSAVG: 3078800 18.7919 -30.3029 -19.5356 -27.605 -16.5121 4.69627 -23.6062 5.11723 4.04219 TIMING: 3078800 CPU: 9723.62, 0.00314209/step Wall: 9723.62, 0.00314209/step, 1.67683 hours remaining, 235.585938 MB of memory in use. ENERGY: 3078800 3969.7639 20494.7309 14489.1592 260.8827 -203377.6570 2521.6000 0.0000 0.0000 52091.6594 -109549.8610 299.3715 -161641.5204 -109182.2897 299.0350 32.5838 58.7657 761341.0849 2.1903 2.1073 PRESSURE: 3079000 -60.0665 -105.1 -95.9547 -105.099 104.785 -70.1758 -95.9555 -70.1755 -56.1442 GPRESSURE: 3079000 -100.409 -122.494 -64.603 31.7711 173.597 -29.2083 -31.6525 -48.7729 11.7339 PRESSAVG: 3079000 -52.2177 -22.0833 -48.2533 -22.0833 12.0911 37.9263 -48.2534 37.9263 22.7863 GPRESSAVG: 3079000 -53.1622 -19.7922 -49.7182 -21.5057 12.0121 39.5292 -47.0529 36.5758 23.2577 TIMING: 3079000 CPU: 9724.25, 0.00317725/step Wall: 9724.25, 0.00317725/step, 1.69542 hours remaining, 235.585938 MB of memory in use. ENERGY: 3079000 4000.2460 20424.8532 14496.4727 245.2133 -203057.9633 2540.1358 0.0000 0.0000 51915.6247 -109435.4177 298.3598 -161351.0423 -109070.9525 299.0461 -3.8086 28.3072 762160.0757 -5.7801 -5.9641 PRESSURE: 3079200 -108.736 46.4959 -161.168 46.4968 -3.17045 61.6848 -161.167 61.6844 25.5659 GPRESSURE: 3079200 -33.98 22.7056 -80.7917 -12.5123 53.3406 3.74571 -155.522 -13.4389 -17.5651 PRESSAVG: 3079200 -57.3892 2.66085 -27.5851 2.66091 78.2478 -3.58675 -27.5851 -3.58685 4.79388 GPRESSAVG: 3079200 -56.1629 4.65937 -27.0114 0.685198 77.3112 -5.00723 -28.5972 -3.32708 4.52769 TIMING: 3079200 CPU: 9724.88, 0.00316119/step Wall: 9724.88, 0.00316119/step, 1.68667 hours remaining, 235.585938 MB of memory in use. ENERGY: 3079200 3957.2246 20493.5567 14365.6875 242.6374 -203318.3285 2607.1572 0.0000 0.0000 52201.0095 -109451.0556 299.9999 -161652.0650 -109092.1015 299.0104 -28.7801 0.5985 761877.5903 8.5508 8.5587 PRESSURE: 3079400 -184.747 -139.839 20.3474 -139.839 -182.269 138.381 20.3477 138.381 282.756 GPRESSURE: 3079400 -46.3374 -7.5851 -2.53885 -64.186 -123.631 53.2163 -29.1124 205.534 168.929 PRESSAVG: 3079400 -4.8047 11.5828 11.3262 11.5828 5.22036 -15.7632 11.3261 -15.7631 6.98972 GPRESSAVG: 3079400 -4.97767 9.69912 11.4315 12.3907 5.16336 -16.8633 12.6599 -16.017 7.18445 TIMING: 3079400 CPU: 9725.52, 0.00316979/step Wall: 9725.52, 0.00316979/step, 1.69108 hours remaining, 235.585938 MB of memory in use. ENERGY: 3079400 4001.2671 20441.7154 14429.9873 246.9092 -203125.0455 2637.3308 0.0000 0.0000 51769.1200 -109598.7158 297.5178 -161367.8358 -109237.0055 298.7580 -28.0867 -0.3467 762339.1128 2.4685 2.4567 PRESSURE: 3079600 -110.095 -161.069 106.547 -161.069 -164.891 -5.31695 106.546 -5.31763 74.4784 GPRESSURE: 3079600 -18.7957 -146.204 93.7087 -136.131 -124.145 -34.3221 36.6011 -28.5884 45.6702 PRESSAVG: 3079600 4.47913 -32.2222 -3.42554 -32.2222 -26.0802 -19.3801 -3.42566 -19.3801 -14.6266 GPRESSAVG: 3079600 5.08091 -31.1339 -3.03099 -30.4938 -25.6076 -18.6328 -3.75381 -20.2687 -15.4916 TIMING: 3079600 CPU: 9726.15, 0.00315717/step Wall: 9726.15, 0.00315717/step, 1.68418 hours remaining, 235.585938 MB of memory in use. ENERGY: 3079600 3947.9270 20388.9134 14477.6174 238.9064 -203175.1211 2446.4243 0.0000 0.0000 52032.6676 -109642.6651 299.0325 -161675.3327 -109283.6864 298.5903 -66.8358 -32.4234 761473.9499 -12.0759 -12.0061 PRESSURE: 3079800 -102.447 -38.7442 220.983 -38.7449 -29.0008 -109.911 220.983 -109.911 -22.1169 GPRESSURE: 3079800 -61.4043 -2.01301 250.486 -103.747 77.1999 -158.213 275.542 -76.0329 -78.399 PRESSAVG: 3079800 -18.0498 -50.2118 -4.76553 -50.2118 -25.8346 -5.30043 -4.76559 -5.30041 -10.0611 GPRESSAVG: 3079800 -18.7654 -51.0198 -5.18821 -51.8057 -25.7964 -5.56819 -4.22914 -4.53094 -9.03525 TIMING: 3079800 CPU: 9726.78, 0.00317229/step Wall: 9726.78, 0.00317229/step, 1.69206 hours remaining, 235.585938 MB of memory in use. ENERGY: 3079800 3984.9226 20670.9889 14462.3447 240.1556 -203298.6702 2278.7068 0.0000 0.0000 51855.1063 -109806.4452 298.0120 -161661.5516 -109448.4216 298.6676 -51.1881 -20.8678 761982.2878 -17.9818 -17.8657 PRESSURE: 3080000 -66.1922 16.3888 13.7311 16.3877 -326.486 -325.167 13.7307 -325.168 -157.04 GPRESSURE: 3080000 -141.569 -31.0221 16.0453 139.502 -228.91 -315.933 16.2603 -169.612 -96.7484 PRESSAVG: 3080000 -0.90894 -9.41702 -16.4313 -9.417 -29.359 7.35241 -16.4313 7.3524 -7.53596 GPRESSAVG: 3080000 -1.19521 -9.15968 -16.4604 -9.01629 -28.6622 8.82425 -18.0471 7.25151 -7.94837 TIMING: 3080000 CPU: 9727.42, 0.00316586/step Wall: 9727.42, 0.00316586/step, 1.68846 hours remaining, 235.585938 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: 3080000 4004.5077 20375.4567 14499.6880 256.3566 -203772.7143 2752.2141 0.0000 0.0000 52211.7003 -109672.7910 300.0614 -161884.4913 -109310.1154 298.8747 -183.2395 -155.7426 763355.7637 -12.6013 -12.6019 PRESSURE: 3080200 -252.917 -71.8426 38.7062 -71.8432 -226.846 68.7953 38.7063 68.7938 -9.69551 GPRESSURE: 3080200 -195.197 -49.6793 127.766 -45.6331 -169.274 25.6909 3.26015 -30.3184 -49.232 PRESSAVG: 3080200 10.4332 7.40864 -50.3928 7.40862 -35.8024 6.50378 -50.3928 6.50372 -20.1562 GPRESSAVG: 3080200 10.7905 6.50121 -50.9582 8.97755 -36.8423 5.8813 -49.3113 7.01733 -19.493 TIMING: 3080200 CPU: 9728.05, 0.0031608/step Wall: 9728.05, 0.0031608/step, 1.68558 hours remaining, 235.585938 MB of memory in use. ENERGY: 3080200 3965.1998 20571.9863 14487.0489 260.4649 -203475.5191 2514.6481 0.0000 0.0000 52074.9241 -109601.2470 299.2753 -161676.1711 -109232.1658 299.8713 -163.1525 -137.9009 760764.2572 -15.1751 -15.1816 LDB: ============= START OF LOAD BALANCING ============== 9740.58 LDB: ============== END OF LOAD BALANCING =============== 9740.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9740.58 LDB: ============= START OF LOAD BALANCING ============== 9740.9 LDB: Largest compute 7026 load 0.032445 is 16.6% of average load 0.195583 LDB: Average compute 0.004397 is 2.2% of average load 0.195583 LDB: TIME 9740.9 LOAD: AVG 0.195583 MAX 0.214099 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.125 MB LDB: TIME 9740.9 LOAD: AVG 0.195583 MAX 0.214099 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.125 MB LDB: TIME 9740.9 LOAD: AVG 0.195583 MAX 0.214099 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.125 MB LDB: ============== END OF LOAD BALANCING =============== 9740.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9740.91 PRESSURE: 3080400 -83.558 117.731 -221.224 117.733 76.3007 -38.4385 -221.224 -38.4394 462.786 GPRESSURE: 3080400 39.6894 139.032 -249.64 148.518 102.829 -66.9825 -189.758 -138.367 418.912 PRESSAVG: 3080400 -56.4652 18.2686 -66.2435 18.2687 34.8239 -9.44697 -66.2435 -9.44701 29.0529 GPRESSAVG: 3080400 -55.6791 18.3914 -65.5337 17.1868 35.1247 -8.6042 -67.1508 -10.2758 28.5271 TIMING: 3080400 CPU: 9728.69, 0.00321949/step Wall: 9728.69, 0.00321949/step, 1.7167 hours remaining, 234.359375 MB of memory in use. ENERGY: 3080400 3981.7838 20431.0536 14413.4814 241.5042 -203152.3671 2586.6717 0.0000 0.0000 52042.8300 -109455.0423 299.0909 -161497.8723 -109092.3827 299.2943 151.8427 187.1436 762116.6479 2.4705 2.6576 PRESSURE: 3080600 387.203 -126.526 317.035 -126.526 147.679 -3.43975 317.035 -3.43943 -73.388 GPRESSURE: 3080600 354.84 -116.98 357.243 -72.0474 246.845 -91.0901 163.674 4.11282 -39.2688 PRESSAVG: 3080600 -5.1377 61.6508 -33.9341 61.6508 11.9046 -47.4327 -33.9341 -47.4327 10.7385 GPRESSAVG: 3080600 -5.9987 64.0634 -34.5635 61.304 12.5163 -49.8117 -32.85 -46.585 10.9967 TIMING: 3080600 CPU: 9729.33, 0.00316074/step Wall: 9729.33, 0.00316074/step, 1.6852 hours remaining, 234.359375 MB of memory in use. ENERGY: 3080600 3973.1325 20518.1057 14438.8943 231.9506 -203889.0785 3224.2615 0.0000 0.0000 52239.3112 -109263.4226 300.2200 -161502.7338 -108896.4080 299.8605 153.8311 187.4718 760136.6507 5.8351 5.8381 PRESSURE: 3080800 -162.625 -42.5438 -117.789 -42.5435 -141.567 -159.611 -117.788 -159.61 -152.534 GPRESSURE: 3080800 -162.211 -83.4872 -179.847 -63.132 -95.4021 -187.563 -55.3894 -149.082 -119.119 PRESSAVG: 3080800 -54.8614 -39.0209 -52.4742 -39.0208 22.7453 21.7969 -52.4742 21.7969 25.2713 GPRESSAVG: 3080800 -55.8929 -40.3215 -52.2019 -40.2121 22.882 23.4281 -52.3474 21.8636 25.8117 TIMING: 3080800 CPU: 9729.95, 0.00314187/step Wall: 9729.95, 0.00314187/step, 1.67496 hours remaining, 234.359375 MB of memory in use. ENERGY: 3080800 4052.7280 20422.0064 14383.9678 228.8306 -202829.8471 2279.1292 0.0000 0.0000 52233.4349 -109229.7502 300.1863 -161463.1851 -108874.1698 299.9631 -152.2420 -125.5774 761462.4362 -2.2816 -2.3998 PRESSURE: 3081000 90.4115 -277.67 188.736 -277.67 -121.589 65.0162 188.736 65.016 229.857 GPRESSURE: 3081000 121.007 -242.501 110.455 -207.477 -33.3383 41.6903 66.1736 64.3737 193.916 PRESSAVG: 3081000 -44.4794 -8.44195 47.838 -8.44198 23.8366 -0.0368589 47.838 -0.0369248 -9.0561 GPRESSAVG: 3081000 -43.5216 -7.57232 48.7251 -7.25562 23.4031 -0.294435 44.7635 -0.154314 -9.58486 TIMING: 3081000 CPU: 9730.59, 0.00317203/step Wall: 9730.59, 0.00317203/step, 1.69087 hours remaining, 234.359375 MB of memory in use. ENERGY: 3081000 4007.8782 20574.2370 14441.2091 251.4679 -203411.6770 2572.2208 0.0000 0.0000 52333.2739 -109231.3901 300.7600 -161564.6640 -108860.2577 300.0824 66.2267 93.8617 760031.2338 -9.8996 -9.9011 PRESSURE: 3081200 13.5971 -122.74 267.436 -122.74 -171.975 -122.016 267.435 -122.016 101.483 GPRESSURE: 3081200 -6.76398 -73.5209 218.785 12.8077 -56.7179 9.66763 369.892 -191.483 101.891 PRESSAVG: 3081200 -20.0629 -49.0693 15.3121 -49.0692 15.0285 -17.4894 15.3121 -17.4894 -36.8643 GPRESSAVG: 3081200 -20.2427 -49.3493 13.3433 -48.2083 16.0582 -16.9029 19.5411 -18.151 -37.5948 TIMING: 3081200 CPU: 9731.22, 0.00316935/step Wall: 9731.22, 0.00316935/step, 1.68926 hours remaining, 234.359375 MB of memory in use. ENERGY: 3081200 4030.8867 20549.5560 14391.0777 234.7049 -202958.6897 2268.5661 0.0000 0.0000 52321.5010 -109162.3973 300.6924 -161483.8983 -108793.6266 300.2509 -18.9648 12.8032 759996.1107 -13.9662 -13.9265 PRESSURE: 3081400 69.6584 7.02552 -134.275 7.02609 43.7291 141.791 -134.274 141.791 557.754 GPRESSURE: 3081400 120.189 -21.6533 -145.58 29.8156 84.6753 152.58 -57.2233 83.6561 552.37 PRESSAVG: 3081400 -13.2515 -41.5171 -1.15051 -41.5171 25.5626 14.697 -1.15047 14.6971 -26.4257 GPRESSAVG: 3081400 -12.4554 -41.6871 -0.799646 -41.9181 24.9684 14.2088 -0.922005 15.3952 -26.6229 TIMING: 3081400 CPU: 9731.86, 0.00316556/step Wall: 9731.86, 0.00316556/step, 1.68707 hours remaining, 234.359375 MB of memory in use. ENERGY: 3081400 4004.0859 20575.7621 14379.1625 254.8695 -203345.7203 2664.9615 0.0000 0.0000 52256.1685 -109210.7103 300.3169 -161466.8789 -108856.3669 300.4277 223.7140 252.4114 761903.1049 -4.7049 -4.7033 PRESSURE: 3081600 24.2919 200.622 103.04 200.622 -203.109 52.5123 103.041 52.512 342.149 GPRESSURE: 3081600 118.375 217.944 112.441 166.215 -191.808 60.4566 -7.53993 110.294 319.444 PRESSAVG: 3081600 101.76 -26.7229 -33.3307 -26.7228 -75.7312 32.0111 -33.3306 32.0111 26.6724 GPRESSAVG: 3081600 101.846 -27.0656 -33.6159 -26.0096 -75.8336 30.5388 -35.1708 31.4901 26.8194 TIMING: 3081600 CPU: 9732.48, 0.00313436/step Wall: 9732.48, 0.00313436/step, 1.67027 hours remaining, 234.359375 MB of memory in use. ENERGY: 3081600 3935.1823 20741.4925 14364.0463 243.7931 -202721.1079 2172.2458 0.0000 0.0000 51979.1230 -109285.2248 298.7247 -161264.3479 -108921.2659 300.3018 54.4443 82.0035 762034.2036 17.5670 17.6108 PRESSURE: 3081800 118.361 -99.4276 97.3151 -99.4269 -226.849 -1.8533 97.3149 -1.85281 -118.242 GPRESSURE: 3081800 9.79947 -161.833 73.6389 -109.873 -101.383 32.8279 57.5698 27.4255 -65.878 PRESSAVG: 3081800 -75.5783 -45.0513 -13.7457 -45.0514 62.4959 -12.2916 -13.7457 -12.2916 7.46611 GPRESSAVG: 3081800 -76.0445 -44.4455 -12.8009 -44.5189 63.3181 -10.8792 -13.7469 -11.4892 7.1353 TIMING: 3081800 CPU: 9733.11, 0.00315708/step Wall: 9733.11, 0.00315708/step, 1.6822 hours remaining, 234.359375 MB of memory in use. ENERGY: 3081800 3955.8202 20679.3016 14441.4410 253.7498 -202872.1252 2394.7036 0.0000 0.0000 51978.3037 -109168.8053 298.7200 -161147.1091 -108811.1680 300.4601 -75.5766 -52.4873 761574.4025 -1.8721 -1.8637 PRESSURE: 3082000 222.853 29.1949 -25.5908 29.1943 136.91 -30.484 -25.5913 -30.4846 177.381 GPRESSURE: 3082000 221.111 27.6714 -89.0202 -47.0592 181.699 -69.1708 -88.0572 -86.6044 212.49 PRESSAVG: 3082000 -2.6793 -13.0984 -21.6747 -13.0985 -41.5697 4.917 -21.6747 4.91701 6.97611 GPRESSAVG: 3082000 -2.70308 -13.5016 -20.3106 -14.3377 -41.3927 5.08136 -22.2902 2.85577 6.98207 TIMING: 3082000 CPU: 9733.74, 0.00314645/step Wall: 9733.74, 0.00314645/step, 1.67636 hours remaining, 234.359375 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: 3082000 3959.0038 20530.7122 14383.9346 235.1079 -203121.5005 2672.0983 0.0000 0.0000 52249.2177 -109091.4260 300.2770 -161340.6436 -108723.7885 300.2238 179.0480 205.1001 762833.9715 -12.4243 -12.3712 PRESSURE: 3082200 287.054 -77.5317 15.2174 -77.5316 151.26 -1.66979 15.218 -1.67026 -106.422 GPRESSURE: 3082200 283.786 -42.8534 17.2938 -18.0666 169.208 46.7541 -80.4915 77.7945 -45.3441 PRESSAVG: 3082200 32.5353 -17.7674 -21.9113 -17.7676 -6.84403 -46.8144 -21.9113 -46.8144 21.8848 GPRESSAVG: 3082200 31.9682 -19.1879 -22.7101 -16.8333 -7.64882 -46.5919 -21.369 -43.8494 23.2951 TIMING: 3082200 CPU: 9734.38, 0.00317863/step Wall: 9734.38, 0.00317863/step, 1.69333 hours remaining, 234.371094 MB of memory in use. ENERGY: 3082200 3965.2717 20601.5474 14407.1532 255.6422 -203307.0403 2513.3600 0.0000 0.0000 52431.4405 -109132.6253 301.3242 -161564.0658 -108767.5758 300.2628 110.6304 135.8834 760920.9069 15.8587 15.8715 PRESSURE: 3082400 102.294 19.6571 -82.1833 19.6576 -169.319 104.812 -82.1834 104.812 -674.24 GPRESSURE: 3082400 -0.228313 31.9929 10.8617 -91.361 -113.212 74.7918 -107.763 75.6248 -538.947 PRESSAVG: 3082400 -9.22628 4.799 23.769 4.79903 16.851 1.91303 23.7691 1.91294 -17.6672 GPRESSAVG: 3082400 -9.00054 4.36638 24.6185 2.94651 17.4196 2.3472 24.9819 0.629793 -18.2972 TIMING: 3082400 CPU: 9735.01, 0.00315076/step Wall: 9735.01, 0.00315076/step, 1.67831 hours remaining, 234.371094 MB of memory in use. ENERGY: 3082400 4022.3899 20554.4221 14363.1713 260.2738 -202723.6958 2141.2102 0.0000 0.0000 52135.3157 -109246.9128 299.6224 -161382.2285 -108873.9398 300.1530 -247.0881 -217.4626 762106.8311 -3.3475 -3.2927 PRESSURE: 3082600 16.4902 31.111 83.1229 31.1109 -139.184 -88.4753 83.1234 -88.4747 -301.961 GPRESSURE: 3082600 57.4186 20.6728 102.551 156.003 -131.588 -25.1839 -24.7616 -43.1858 -283.61 PRESSAVG: 3082600 26.5293 32.5675 25.707 32.5675 -37.1006 25.0893 25.707 25.0893 2.26273 GPRESSAVG: 3082600 26.0993 36.4121 24.6823 31.7567 -36.3794 25.5046 24.1505 24.0328 1.67818 TIMING: 3082600 CPU: 9735.65, 0.00318858/step Wall: 9735.65, 0.00318858/step, 1.69827 hours remaining, 234.371094 MB of memory in use. ENERGY: 3082600 3995.2923 20618.0404 14366.4689 242.5074 -202938.0180 2289.2378 0.0000 0.0000 52245.7923 -109180.6789 300.2573 -161426.4712 -108834.1331 300.1144 -141.5516 -119.2598 761140.9460 -2.7695 -2.8673 PRESSURE: 3082800 -260.316 116.676 -41.9121 116.677 149.05 -68.7556 -41.9132 -68.7557 416.496 GPRESSURE: 3082800 -159.694 191.699 -96.3518 -106.364 181.052 -154.884 69.8244 -83.9744 359.55 PRESSAVG: 3082800 -39.9474 -33.8505 -14.6839 -33.8505 52.539 15.4397 -14.684 15.4396 -2.17845 GPRESSAVG: 3082800 -39.7105 -35.0657 -16.6527 -34.6103 51.6677 14.104 -11.8639 17.6425 -1.38472 TIMING: 3082800 CPU: 9736.28, 0.00318958/step Wall: 9736.28, 0.00318958/step, 1.69863 hours remaining, 234.371094 MB of memory in use. ENERGY: 3082800 3959.3886 20712.7598 14419.4356 243.9838 -203323.2287 2565.0757 0.0000 0.0000 52408.4926 -109014.0926 301.1923 -161422.5852 -108653.7898 300.7253 101.7434 126.9694 762327.3740 3.4711 3.5241 PRESSURE: 3083000 -374.819 -162.662 19.4373 -162.663 -4.86126 -44.7694 19.4376 -44.7689 -678.945 GPRESSURE: 3083000 -250.1 -62.7335 -5.98739 -135.382 -94.033 32.9837 -20.0748 -96.5946 -636.777 PRESSAVG: 3083000 -40.4718 -54.2498 50.9202 -54.2499 59.9729 35.185 50.9201 35.185 25.455 GPRESSAVG: 3083000 -41.3335 -55.5565 53.5998 -53.2527 61.1577 35.7005 47.7024 31.6322 25.608 TIMING: 3083000 CPU: 9736.92, 0.00317711/step Wall: 9736.92, 0.00317711/step, 1.69181 hours remaining, 234.371094 MB of memory in use. ENERGY: 3083000 4050.2113 20686.7083 14394.5162 254.6247 -203603.3562 2612.3434 0.0000 0.0000 52279.7726 -109325.1797 300.4526 -161604.9523 -108962.3864 300.0669 -352.8749 -326.9697 761036.3119 14.9854 15.1441 PRESSURE: 3083200 213.157 -13.1167 114.241 -13.116 -7.12915 186.293 114.24 186.293 -184.05 GPRESSURE: 3083200 183.968 16.924 82.0004 37.9699 118.687 274.302 103.613 90.3754 -185.413 PRESSAVG: 3083200 -42.4382 -15.1697 -37.5691 -15.1697 9.43342 -11.793 -37.5692 -11.7931 -26.3374 GPRESSAVG: 3083200 -40.2653 -13.0879 -38.4374 -14.1533 7.27609 -12.7193 -36.6445 -10.6341 -26.1909 TIMING: 3083200 CPU: 9737.56, 0.00317927/step Wall: 9737.56, 0.00317927/step, 1.69279 hours remaining, 234.371094 MB of memory in use. ENERGY: 3083200 4010.8184 20571.4678 14475.9253 260.8068 -203186.8125 2533.1470 0.0000 0.0000 52121.3311 -109213.3162 299.5420 -161334.6473 -108843.2284 299.6980 7.3258 39.0809 762074.7062 -19.7807 -19.7267 PRESSURE: 3083400 -307.571 316.998 8.60183 316.998 -128.793 -88.0417 8.60158 -88.0409 -73.5166 GPRESSURE: 3083400 -356.981 448.64 25.3802 208.951 -63.0478 -98.2752 48.4436 -119.112 0.0505009 PRESSAVG: 3083400 -28.4759 18.2959 -12.7364 18.2959 1.29676 37.0899 -12.7364 37.0898 27.4326 GPRESSAVG: 3083400 -29.9876 17.0238 -13.0991 17.3706 2.95099 36.6153 -13.7815 39.0056 27.6136 TIMING: 3083400 CPU: 9738.2, 0.00321159/step Wall: 9738.2, 0.00321159/step, 1.70982 hours remaining, 234.371094 MB of memory in use. ENERGY: 3083400 4042.1133 20730.8105 14449.4626 264.5262 -203415.3409 2624.3687 0.0000 0.0000 51969.9419 -109334.1177 298.6720 -161304.0596 -108971.9385 299.8813 -169.9602 -139.9926 761803.8386 0.0845 0.1924 PRESSURE: 3083600 -260.109 181.109 143.296 181.109 -96.1892 -209.961 143.295 -209.962 -187.803 GPRESSURE: 3083600 -138.722 126.127 113.202 55.4063 -99.3715 -175.601 63.5253 -232.294 -218.3 PRESSAVG: 3083600 -18.7273 43.5578 -30.9707 43.5579 30.062 -29.1749 -30.9708 -29.1748 10.0672 GPRESSAVG: 3083600 -18.4189 40.8263 -29.8168 42.2217 30.4642 -28.1042 -30.8756 -30.7801 9.62442 TIMING: 3083600 CPU: 9738.83, 0.00318281/step Wall: 9738.83, 0.00318281/step, 1.69432 hours remaining, 234.371094 MB of memory in use. ENERGY: 3083600 4043.9138 20469.3196 14471.5201 246.8416 -203164.2024 2494.3744 0.0000 0.0000 52237.2729 -109200.9599 300.2083 -161438.2328 -108832.7023 299.5384 -181.3670 -152.1312 762412.7116 7.1340 7.2232 PRESSURE: 3083800 -25.4112 -154.964 135.947 -154.964 -204.065 148.371 135.948 148.371 -74.4658 GPRESSURE: 3083800 -8.84407 -185.181 127.891 -122.558 -141.322 107.383 162.36 67.1708 -74.3583 PRESSAVG: 3083800 -14.7102 16.5415 -57.8475 16.5416 73.9458 36.3711 -57.8475 36.3711 7.03415 GPRESSAVG: 3083800 -15.6365 18.7743 -57.9994 19.852 75.3196 35.2156 -58.4971 36.0421 6.74745 TIMING: 3083800 CPU: 9739.47, 0.00316596/step Wall: 9739.47, 0.00316596/step, 1.68517 hours remaining, 234.371094 MB of memory in use. ENERGY: 3083800 3984.5789 20680.9892 14481.8789 228.5248 -203080.8218 2230.8804 0.0000 0.0000 52287.3320 -109186.6376 300.4960 -161473.9696 -108827.2495 300.0210 -101.3141 -74.8415 762058.1704 22.0899 22.1435 PRESSURE: 3084000 38.2792 -215.422 39.616 -215.422 -0.847976 134.311 39.6161 134.313 -135.803 GPRESSURE: 3084000 68.698 -157.329 108.31 -108.014 -31.2677 -14.8707 -76.9475 85.4114 -56.3422 PRESSAVG: 3084000 -17.2968 13.9757 -51.0898 13.9757 6.08084 8.62858 -51.0898 8.62854 4.75149 GPRESSAVG: 3084000 -16.7791 13.8204 -50.325 11.7294 5.44372 10.6713 -48.6501 9.53294 5.02431 TIMING: 3084000 CPU: 9740.1, 0.00313768/step Wall: 9740.1, 0.00313768/step, 1.66994 hours remaining, 234.371094 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: 3084000 4055.9998 20826.2780 14378.5565 236.1537 -203498.7102 2687.3026 0.0000 0.0000 52159.3833 -109155.0362 299.7607 -161314.4195 -108792.8577 300.2777 -32.7905 -6.3040 761386.5983 -2.1548 -2.1037 PRESSURE: 3084200 -118.08 -157.504 214.332 -157.504 -58.9726 -7.99527 214.332 -7.99563 398.752 GPRESSURE: 3084200 -85.7491 -218.997 240.7 -173.947 -33.421 109.258 62.7668 64.5851 420.155 PRESSAVG: 3084200 3.24864 4.698 7.7282 4.69797 -28.0021 -38.2316 7.72822 -38.2317 -3.28596 GPRESSAVG: 3084200 4.4766 4.6199 6.31895 4.71649 -28.4205 -38.9613 5.87432 -37.1041 -3.66051 TIMING: 3084200 CPU: 9740.72, 0.00312945/step Wall: 9740.72, 0.00312945/step, 1.66539 hours remaining, 234.371094 MB of memory in use. ENERGY: 3084200 3971.6507 20631.7665 14496.2777 256.4435 -203469.3544 2786.1819 0.0000 0.0000 52157.8274 -109169.2067 299.7518 -161327.0341 -108807.6504 299.9679 73.9000 100.3284 761673.1233 -9.3465 -9.2015 LDB: ============= START OF LOAD BALANCING ============== 9753.25 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9753.25 LDB: =============== DONE WITH MIGRATION ================ 9753.25 LDB: ============= START OF LOAD BALANCING ============== 9753.57 LDB: Largest compute 7075 load 0.032704 is 16.7% of average load 0.195554 LDB: Average compute 0.004388 is 2.2% of average load 0.195554 LDB: TIME 9753.57 LOAD: AVG 0.195554 MAX 0.214997 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 9753.57 LOAD: AVG 0.195554 MAX 0.214997 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.445 MB LDB: TIME 9753.57 LOAD: AVG 0.195554 MAX 0.214997 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.445 MB LDB: ============== END OF LOAD BALANCING =============== 9753.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9753.58 PRESSURE: 3084400 -43.6257 25.9254 222.752 25.9266 102.002 60.4525 222.752 60.4531 29.2407 GPRESSURE: 3084400 19.574 1.80154 249.332 18.1496 82.6937 106.111 179.034 -142.633 55.9368 PRESSAVG: 3084400 1.57261 -35.1043 62.5917 -35.1044 7.95062 36.303 62.5917 36.303 -17.0732 GPRESSAVG: 3084400 0.491405 -34.6477 61.6205 -36.9088 8.35694 35.4244 64.4381 34.6443 -15.8376 TIMING: 3084400 CPU: 9741.36, 0.00319383/step Wall: 9741.36, 0.00319383/step, 1.69947 hours remaining, 237.765625 MB of memory in use. ENERGY: 3084400 3957.0930 20692.7719 14413.5210 258.7442 -203072.7258 2671.8113 0.0000 0.0000 52039.4679 -109039.3165 299.0715 -161078.7844 -108675.2021 299.9682 29.2055 52.7348 762615.6493 -2.5166 -2.3297 PRESSURE: 3084600 -221.062 169.97 11.4657 169.97 214.769 -174.301 11.4655 -174.301 -398.089 GPRESSURE: 3084600 -95.2285 93.6308 55.1917 224.221 211.56 -247.956 25.9869 -199.273 -441.518 PRESSAVG: 3084600 -59.2643 3.80237 -28.4039 3.80234 76.1381 47.9004 -28.4039 47.9003 3.27644 GPRESSAVG: 3084600 -58.7331 2.87011 -26.3795 7.86648 76.5036 47.9474 -30.1411 47.1246 1.4202 TIMING: 3084600 CPU: 9741.99, 0.00313706/step Wall: 9741.99, 0.00313706/step, 1.66909 hours remaining, 237.968750 MB of memory in use. ENERGY: 3084600 3973.1974 20546.6896 14405.5577 245.5968 -203020.7996 2577.0053 0.0000 0.0000 52175.3557 -109097.3971 299.8525 -161272.7528 -108739.1028 299.9167 -134.7942 -108.3955 762735.4927 6.7167 6.3969 PRESSURE: 3084800 59.9333 89.1388 76.3481 89.1386 78.0531 89.7807 76.3483 89.7809 425.435 GPRESSURE: 3084800 53.5966 84.7065 48.3469 -3.42653 88.9355 143.352 -24.4745 143.61 505.986 PRESSAVG: 3084800 27.1639 -18.2186 -7.58938 -18.2186 -11.5989 24.5701 -7.58937 24.5702 -7.11798 GPRESSAVG: 3084800 25.3968 -19.2932 -7.34026 -20.0832 -11.953 24.7473 -7.50033 26.0158 -5.28404 TIMING: 3084800 CPU: 9742.62, 0.00314751/step Wall: 9742.62, 0.00314751/step, 1.67448 hours remaining, 238.093750 MB of memory in use. ENERGY: 3084800 3930.5988 20383.2416 14448.6316 239.0116 -203155.0382 2561.8413 0.0000 0.0000 52357.7135 -109233.9998 300.9005 -161591.7133 -108865.3553 299.8585 187.8072 216.1727 761115.5861 2.8157 2.7199 PRESSURE: 3085000 -33.2328 105.212 25.4403 105.212 144.51 222.215 25.4402 222.216 218.434 GPRESSURE: 3085000 41.2675 90.3583 83.255 76.6953 172.168 142.44 -44.0534 173.303 211.363 PRESSAVG: 3085000 -44.7749 -37.7395 -36.8307 -37.7395 45.5293 39.4162 -36.8307 39.4162 -7.1751 GPRESSAVG: 3085000 -43.442 -35.6143 -36.8802 -38.3187 45.4804 39.6585 -36.6322 40.8279 -8.76518 TIMING: 3085000 CPU: 9743.24, 0.00312986/step Wall: 9743.24, 0.00312986/step, 1.66491 hours remaining, 238.093750 MB of memory in use. ENERGY: 3085000 3976.2133 20427.3086 14401.8892 229.0349 -203318.8826 2659.7048 0.0000 0.0000 52302.7574 -109321.9744 300.5847 -161624.7319 -108967.7254 299.7182 109.9038 141.5995 760227.6846 -2.1402 -2.2423 PRESSURE: 3085200 -453.764 146.457 136.409 146.456 26.9975 112.414 136.41 112.414 -669.713 GPRESSURE: 3085200 -420.352 198.013 87.9414 -13.682 -13.9538 105.25 140.191 170.264 -583.609 PRESSAVG: 3085200 -9.22031 34.0836 -58.1386 34.0837 32.7599 67.4704 -58.1386 67.4705 -17.1261 GPRESSAVG: 3085200 -9.71445 34.5149 -60.227 33.1293 31.054 66.7878 -56.137 64.6031 -14.9854 TIMING: 3085200 CPU: 9743.87, 0.00312731/step Wall: 9743.87, 0.00312731/step, 1.66338 hours remaining, 238.093750 MB of memory in use. ENERGY: 3085200 4024.2965 20500.1085 14359.0009 256.2542 -203191.1344 2519.9421 0.0000 0.0000 52172.0445 -109359.4877 299.8335 -161531.5321 -108998.8634 299.2467 -365.4932 -339.3052 762833.2691 2.1378 2.1181 PRESSURE: 3085400 260.9 -90.815 -13.7566 -90.8153 -230.385 67.6828 -13.7559 67.6827 -100.71 GPRESSURE: 3085400 376.963 -130.716 112.451 -94.0505 -211.796 181.22 54.3553 62.2611 -155.075 PRESSAVG: 3085400 -46.2571 -1.59352 -20.3893 -1.59353 -23.0232 4.13739 -20.3893 4.13728 -12.5388 GPRESSAVG: 3085400 -44.9846 -2.76242 -18.0837 0.140957 -21.1995 5.37139 -20.9973 4.77665 -14.9771 TIMING: 3085400 CPU: 9744.5, 0.00314267/step Wall: 9744.5, 0.00314267/step, 1.67137 hours remaining, 238.093750 MB of memory in use. ENERGY: 3085400 4038.2557 20486.7483 14367.8949 239.2755 -203272.6437 2566.3218 0.0000 0.0000 52211.3942 -109362.7532 300.0596 -161574.1474 -108991.3172 299.7002 -23.3983 3.3640 761127.5675 -27.2731 -27.0537 PRESSURE: 3085600 -477.047 2.01768 128.4 2.01808 -448.635 -168.434 128.4 -168.435 -160.277 GPRESSURE: 3085600 -546.339 102.459 206.153 94.1812 -365.531 -157.367 146.409 -173.681 -101.646 PRESSAVG: 3085600 -11.0896 52.2914 10.9705 52.2914 19.7045 -25.307 10.9704 -25.307 -29.1641 GPRESSAVG: 3085600 -12.3551 52.3337 10.0702 50.4036 20.4027 -25.3189 11.1804 -24.7925 -28.1015 TIMING: 3085600 CPU: 9745.13, 0.00315604/step Wall: 9745.13, 0.00315604/step, 1.67831 hours remaining, 238.093750 MB of memory in use. ENERGY: 3085600 3964.6940 20505.6170 14399.2895 235.1948 -202573.5228 2250.3811 0.0000 0.0000 51889.7822 -109328.5642 298.2113 -161218.3464 -108973.9713 299.2875 -361.9864 -337.8388 763716.6413 -6.8497 -6.6847 PRESSURE: 3085800 113.608 -158.411 -6.15675 -158.41 -79.9329 71.2937 -6.15726 71.2935 -48.3091 GPRESSURE: 3085800 132.748 -200.736 17.1554 20.126 -15.5012 72.9622 -25.594 -81.2577 -51.9043 PRESSAVG: 3085800 21.5792 -3.53318 9.81596 -3.53312 3.62578 -8.78992 9.81592 -8.78995 -6.90521 GPRESSAVG: 3085800 22.7432 -2.65608 9.73885 -1.08994 2.87126 -9.18928 10.0942 -9.3075 -6.9828 TIMING: 3085800 CPU: 9745.76, 0.0031523/step Wall: 9745.76, 0.0031523/step, 1.67615 hours remaining, 238.093750 MB of memory in use. ENERGY: 3085800 3968.8311 20336.7465 14474.0322 257.8813 -203227.3798 2512.6286 0.0000 0.0000 52321.6629 -109355.5973 300.6933 -161677.2602 -108989.4806 299.3172 -4.8781 21.7808 762308.9902 6.0999 6.2106 PRESSURE: 3086000 166.922 183.404 -23.5322 183.404 -68.0405 54.1619 -23.5316 54.1616 385.252 GPRESSURE: 3086000 159.841 138.436 32.0133 124.203 43.1114 41.3401 102.566 22.3319 359.529 PRESSAVG: 3086000 -30.6041 37.7946 12.1901 37.7947 58.5747 17.1447 12.1901 17.1447 6.17146 GPRESSAVG: 3086000 -30.5581 38.1145 12.2663 35.9183 58.5262 16.4785 11.2228 18.111 6.51597 TIMING: 3086000 CPU: 9746.39, 0.00315879/step Wall: 9746.39, 0.00315879/step, 1.67942 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: 3086000 3891.2194 20525.6513 14453.7871 272.9095 -202956.0181 2532.6398 0.0000 0.0000 52078.9884 -109200.8227 299.2987 -161279.8111 -108830.4096 299.6570 161.3776 187.4940 760449.2373 11.3807 11.4947 PRESSURE: 3086200 -113.393 42.2812 -4.8003 42.2809 -65.4309 -13.9056 -4.80007 -13.905 40.2909 GPRESSURE: 3086200 60.3158 -47.4626 37.5839 -24.9857 -121.184 26.4634 -30.7534 26.7253 -10.7635 PRESSAVG: 3086200 -28.2079 -20.2426 48.6586 -20.2426 -2.19072 9.56695 48.6586 9.56687 -6.10378 GPRESSAVG: 3086200 -28.0132 -20.6026 49.2055 -18.5377 -2.54884 11.2651 50.3483 10.7125 -6.30724 TIMING: 3086200 CPU: 9747.02, 0.00314127/step Wall: 9747.02, 0.00314127/step, 1.66993 hours remaining, 238.093750 MB of memory in use. ENERGY: 3086200 3959.0480 20541.2358 14424.2126 235.2758 -202987.6139 2567.5273 0.0000 0.0000 52114.2886 -109146.0258 299.5015 -161260.3144 -108783.1500 299.4882 -46.1778 -23.8774 762366.8133 -12.1675 -12.2898 PRESSURE: 3086400 -125.29 133.862 -19.1025 133.862 -233.304 125.269 -19.1032 125.27 -209.564 GPRESSURE: 3086400 -250.821 96.6071 -43.2141 158.708 -20.313 64.9424 -17.3437 61.2909 -207.456 PRESSAVG: 3086400 24.2351 3.08865 31.9865 3.08869 9.38788 13.4044 31.9865 13.4044 7.60831 GPRESSAVG: 3086400 23.4717 1.21525 29.9566 3.43738 10.2783 12.8441 32.1122 11.1077 7.67086 TIMING: 3086400 CPU: 9747.65, 0.00314488/step Wall: 9747.65, 0.00314488/step, 1.67168 hours remaining, 238.093750 MB of memory in use. ENERGY: 3086400 3989.6677 20566.9892 14466.4611 244.0773 -202468.4226 1990.8290 0.0000 0.0000 52183.8406 -109026.5576 299.9012 -161210.3982 -108658.2494 300.3618 -189.3862 -159.5299 760806.4435 13.7438 13.8070 PRESSURE: 3086600 -419.952 -4.02248 45.2309 -4.02321 -149.595 -64.945 45.2312 -64.9445 -551.685 GPRESSURE: 3086600 -315.008 37.9922 -39.4631 84.0314 -193.612 -40.6128 28.9485 -119.666 -533.534 PRESSAVG: 3086600 -52.9955 13.2037 0.788857 13.2037 49.9886 -41.3514 0.788855 -41.3514 3.40107 GPRESSAVG: 3086600 -52.2703 14.0923 2.11659 13.4252 48.9598 -39.1144 -0.19466 -42.3992 3.71675 TIMING: 3086600 CPU: 9748.28, 0.00316093/step Wall: 9748.28, 0.00316093/step, 1.68003 hours remaining, 238.093750 MB of memory in use. ENERGY: 3086600 3909.1601 20580.4469 14464.5707 241.3776 -202496.5341 2071.8417 0.0000 0.0000 51802.8599 -109426.2772 297.7117 -161229.1371 -109069.5528 299.7899 -373.7439 -347.3849 760778.0283 0.1314 0.1354 PRESSURE: 3086800 426.51 163.384 140.725 163.385 -212.675 181.463 140.725 181.463 360.855 GPRESSURE: 3086800 426.724 -68.744 111.994 181.937 -104.752 187.773 273.125 -13.0072 346.562 PRESSAVG: 3086800 49.4755 65.2249 13.4944 65.2248 -30.8486 62.795 13.4945 62.7951 -3.86216 GPRESSAVG: 3086800 49.4699 64.4148 13.5354 63.1678 -30.3478 58.9954 14.5125 66.0454 -4.12511 TIMING: 3086800 CPU: 9748.91, 0.00312843/step Wall: 9748.91, 0.00312843/step, 1.66258 hours remaining, 238.093750 MB of memory in use. ENERGY: 3086800 3926.5249 20350.7656 14415.0394 258.0778 -203217.8498 2718.4731 0.0000 0.0000 52250.1111 -109298.8579 300.2821 -161548.9690 -108920.6897 299.3976 191.5634 222.8446 760311.1319 4.9216 4.9990 PRESSURE: 3087000 -273.038 -41.4697 -198.879 -41.4713 -32.3779 -250.04 -198.879 -250.039 114.139 GPRESSURE: 3087000 -148.247 33.8999 -151.665 -134.322 -82.7692 -120.124 -62.6133 -255.003 124.458 PRESSAVG: 3087000 4.30961 10.3721 -25.2125 10.3721 43.5618 29.5638 -25.2125 29.5639 10.637 GPRESSAVG: 3087000 5.08135 10.9102 -24.645 10.6914 42.4999 31.4556 -22.4154 26.423 11.1678 TIMING: 3087000 CPU: 9749.53, 0.00313/step Wall: 9749.53, 0.00313/step, 1.66325 hours remaining, 238.093750 MB of memory in use. ENERGY: 3087000 4009.0825 20509.8311 14393.3331 235.5157 -203118.4228 2511.0104 0.0000 0.0000 51999.6855 -109459.9645 298.8429 -161459.6500 -109098.4183 299.3371 -63.7588 -35.5195 762162.7206 19.5028 19.5830 PRESSURE: 3087200 227.406 272.762 -4.52103 272.763 -13.7365 -93.9745 -4.52081 -93.9747 9.81704 GPRESSURE: 3087200 200.861 153.972 17.1707 350.666 93.6919 -108.588 -208.953 -25.4494 -4.99157 PRESSAVG: 3087200 3.52086 -1.05842 -13.013 -1.05832 -18.5635 -18.1423 -13.013 -18.1424 11.7016 GPRESSAVG: 3087200 2.66784 -3.81088 -13.5021 -0.184779 -18.0699 -18.4063 -15.6965 -18.1789 12.3 TIMING: 3087200 CPU: 9750.16, 0.00314615/step Wall: 9750.16, 0.00314615/step, 1.67165 hours remaining, 238.093750 MB of memory in use. ENERGY: 3087200 3945.3184 20311.8799 14411.0958 242.5889 -203297.8315 2644.9563 0.0000 0.0000 52205.3990 -109536.5931 300.0251 -161741.9921 -109169.5180 299.0307 74.4955 96.5204 763313.9266 -1.1137 -1.0340 PRESSURE: 3087400 84.1891 -105.461 -77.3666 -105.461 -87.1652 -243.475 -77.3669 -243.475 148.562 GPRESSURE: 3087400 50.3721 -140.492 -45.3789 -119.627 -2.71641 -241.553 -15.4789 -89.1907 181.327 PRESSAVG: 3087400 12.8454 -5.48885 -10.3617 -5.48885 -30.3078 -7.3538 -10.3617 -7.35382 16.0237 GPRESSAVG: 3087400 11.793 -2.28161 -10.9432 -6.34716 -29.3119 -7.41189 -11.1913 -3.33731 15.2652 TIMING: 3087400 CPU: 9750.79, 0.0031575/step Wall: 9750.79, 0.0031575/step, 1.67751 hours remaining, 238.093750 MB of memory in use. ENERGY: 3087400 3981.0971 20527.7323 14334.6462 234.2352 -203317.0950 2773.7824 0.0000 0.0000 51927.8329 -109537.7689 298.4300 -161465.6018 -109183.7729 298.8948 48.5285 76.3276 762083.0054 -0.4796 -0.7512 PRESSURE: 3087600 -50.8607 -91.7676 127.779 -91.7669 -4.89295 -15.6061 127.78 -15.6058 -49.0668 GPRESSURE: 3087600 99.9846 -153.974 68.7588 -145.89 -64.7521 4.46299 135.636 -120.004 -58.6508 PRESSAVG: 3087600 -14.8246 -4.06062 -12.5076 -4.06063 2.98908 -23.6707 -12.5076 -23.6707 -17.6997 GPRESSAVG: 3087600 -13.511 -4.58193 -12.3108 -5.80731 1.32448 -22.4683 -10.3316 -25.8349 -17.8909 TIMING: 3087600 CPU: 9751.42, 0.00313223/step Wall: 9751.42, 0.00313223/step, 1.66391 hours remaining, 238.093750 MB of memory in use. ENERGY: 3087600 3939.9584 20326.7540 14414.8318 217.8432 -202880.9976 2444.4707 0.0000 0.0000 51995.9027 -109541.2368 298.8212 -161537.1395 -109178.8429 299.1597 -34.9402 -7.8061 762293.4313 -9.8451 -10.0258 PRESSURE: 3087800 -379.106 -199.167 41.0923 -199.167 -125.891 52.8437 41.0923 52.8448 94.2442 GPRESSURE: 3087800 -288.278 -174.565 -5.0174 -281.173 -51.4664 103.446 90.3808 -60.2636 10.9115 PRESSAVG: 3087800 -15.8392 -66.1688 6.38785 -66.1688 45.3492 -37.8735 6.38783 -37.8736 8.69632 GPRESSAVG: 3087800 -15.7877 -64.9041 7.34617 -66.3376 45.3441 -39.6393 4.51296 -37.8983 9.2 TIMING: 3087800 CPU: 9752.04, 0.00312222/step Wall: 9752.04, 0.00312222/step, 1.65842 hours remaining, 238.093750 MB of memory in use. ENERGY: 3087800 4001.8311 20462.6825 14380.6564 240.1747 -203121.1833 2580.2551 0.0000 0.0000 51838.1954 -109617.3881 297.9148 -161455.5835 -109260.7031 298.9064 -136.9178 -109.6110 762014.9853 12.7354 12.9188 PRESSURE: 3088000 71.6538 3.16452 205.504 3.16454 21.2054 -42.1455 205.504 -42.1467 295.018 GPRESSURE: 3088000 66.3623 24.8064 171.86 -42.9171 10.5069 -106.807 224.644 95.3894 372.775 PRESSAVG: 3088000 -54.3863 -50.164 38.4652 -50.164 -39.5872 13.5855 38.4652 13.5854 -2.48358 GPRESSAVG: 3088000 -54.5788 -51.432 37.4275 -47.382 -39.2392 14.9004 40.1372 11.9584 -3.16633 TIMING: 3088000 CPU: 9752.67, 0.00313042/step Wall: 9752.67, 0.00313042/step, 1.6626 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: 3088000 3999.8365 20498.9765 14414.7791 254.2677 -203005.2268 2284.8832 0.0000 0.0000 51957.5949 -109594.8888 298.6010 -161552.4837 -109241.6781 298.7626 129.2924 149.8814 761813.5053 -32.1524 -32.3281 PRESSURE: 3088200 59.136 -18.1213 -23.3659 -18.121 -64.6637 -52.1192 -23.3669 -52.1201 312.242 GPRESSURE: 3088200 86.9257 10.2102 -16.1454 36.7728 69.4405 82.7981 -55.2111 -174.39 248.63 PRESSAVG: 3088200 24.3498 46.8841 41.9662 46.8841 4.46844 -5.86126 41.9662 -5.8613 11.191 GPRESSAVG: 3088200 23.0361 49.2193 40.9333 45.8549 5.68274 -6.47679 40.8488 -5.1693 11.3379 TIMING: 3088200 CPU: 9753.3, 0.00313675/step Wall: 9753.3, 0.00313675/step, 1.66579 hours remaining, 238.093750 MB of memory in use. ENERGY: 3088200 3998.9612 20418.7840 14442.8548 239.3697 -203860.3588 2889.9091 0.0000 0.0000 52102.8262 -109767.6539 299.4357 -161870.4801 -109408.8998 298.7238 102.2380 134.9986 760821.3860 13.3364 13.3522 LDB: ============= START OF LOAD BALANCING ============== 9765.83 LDB: ============== END OF LOAD BALANCING =============== 9765.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9765.83 LDB: ============= START OF LOAD BALANCING ============== 9766.15 LDB: Largest compute 7075 load 0.034002 is 17.4% of average load 0.195712 LDB: Average compute 0.004388 is 2.2% of average load 0.195712 LDB: TIME 9766.15 LOAD: AVG 0.195712 MAX 0.21569 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 9766.15 LOAD: AVG 0.195712 MAX 0.21569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 9766.15 LOAD: AVG 0.195712 MAX 0.21569 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 9766.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9766.16 PRESSURE: 3088400 -159.689 7.32077 -252.602 7.32141 -48.1805 303.78 -252.602 303.781 40.0076 GPRESSURE: 3088400 -14.1031 47.1961 -193.387 57.5705 -135.807 201.932 -128.841 308.374 79.9007 PRESSAVG: 3088400 -58.8079 -9.95569 -22.272 -9.95567 46.7544 22.6659 -22.272 22.666 -1.00056 GPRESSAVG: 3088400 -56.5765 -11.5155 -21.4395 -8.37159 43.9688 21.2276 -22.0306 24.5168 -0.717506 TIMING: 3088400 CPU: 9753.94, 0.00321821/step Wall: 9753.94, 0.00321821/step, 1.70887 hours remaining, 235.910156 MB of memory in use. ENERGY: 3088400 3984.7706 20418.1073 14407.6221 234.6562 -203095.6170 2363.0127 0.0000 0.0000 51877.6168 -109809.8312 298.1414 -161687.4480 -109445.6841 298.5984 -55.9541 -23.3366 761806.2559 -4.3514 -4.4418 PRESSURE: 3088600 -264.056 -73.8343 94.4901 -73.8337 190.67 -245.242 94.4895 -245.242 70.8366 GPRESSURE: 3088600 -171.514 -87.0292 117.028 10.4776 107.823 -256.175 0.41021 -292.004 149.402 PRESSAVG: 3088600 -23.2368 10.8593 -73.8517 10.8593 45.4934 -11.6552 -73.8517 -11.6551 6.12491 GPRESSAVG: 3088600 -24.3212 11.1452 -73.0272 9.46825 46.2272 -11.548 -75.0802 -12.9775 5.84034 TIMING: 3088600 CPU: 9754.57, 0.00313465/step Wall: 9754.57, 0.00313465/step, 1.66433 hours remaining, 235.910156 MB of memory in use. ENERGY: 3088600 4036.2432 20321.3329 14425.9640 259.6604 -203552.7418 2789.4723 0.0000 0.0000 51992.5996 -109727.4695 298.8022 -161720.0691 -109373.0576 298.1891 -0.8500 28.5703 762005.8884 9.4605 9.2488 PRESSURE: 3088800 72.4044 160.601 -104.176 160.601 209.167 274.42 -104.176 274.42 619.688 GPRESSURE: 3088800 110.659 33.0538 -74.7549 52.076 271.864 219.551 -68.4285 201.259 591.511 PRESSAVG: 3088800 -3.99444 0.969356 1.69449 0.969335 15.2721 -59.9588 1.69445 -59.9589 -24.3469 GPRESSAVG: 3088800 -4.428 0.468084 0.348642 1.13237 16.2981 -61.6116 3.50733 -58.8785 -24.3745 TIMING: 3088800 CPU: 9755.2, 0.00314981/step Wall: 9755.2, 0.00314981/step, 1.6722 hours remaining, 235.910156 MB of memory in use. ENERGY: 3088800 3923.4913 20456.3211 14492.3397 239.0378 -203580.4333 2626.1394 0.0000 0.0000 52218.2779 -109624.8261 300.0992 -161843.1040 -109258.9028 298.5187 300.4196 324.6779 760882.4106 -4.3564 -4.1681 PRESSURE: 3089000 -37.2843 34.2569 -101.838 34.2575 -136.544 46.9211 -101.837 46.9217 305.043 GPRESSURE: 3089000 68.636 21.9498 -101.389 9.07782 -121.105 64.4322 -137.11 29.2491 270.378 PRESSAVG: 3089000 15.8307 39.9843 -14.5175 39.9843 -0.892755 11.226 -14.5175 11.226 -1.94281 GPRESSAVG: 3089000 14.1682 38.829 -12.4408 40.3425 -0.0577124 13.5322 -15.1055 9.49596 -1.85945 TIMING: 3089000 CPU: 9755.83, 0.00314532/step Wall: 9755.83, 0.00314532/step, 1.66964 hours remaining, 235.980469 MB of memory in use. ENERGY: 3089000 3964.5511 20453.5975 14485.8685 238.0681 -203274.0173 2493.6745 0.0000 0.0000 52162.3419 -109475.9157 299.7777 -161638.2576 -109114.4684 299.1191 43.7383 72.6362 761565.4627 4.3317 4.0837 PRESSURE: 3089200 -175.735 71.2294 219.43 71.2293 56.9813 -96.8823 219.43 -96.8821 40.3962 GPRESSURE: 3089200 -69.7439 133.355 283.933 212.258 110.908 -113.767 198.293 13.7957 -38.6276 PRESSAVG: 3089200 -35.0454 43.78 -23.3288 43.78 55.0307 -16.5331 -23.3288 -16.5332 -6.63319 GPRESSAVG: 3089200 -33.5064 46.8743 -24.0822 41.5379 54.1026 -17.2524 -23.5679 -17.3721 -7.32815 TIMING: 3089200 CPU: 9756.45, 0.00314381/step Wall: 9756.45, 0.00314381/step, 1.66866 hours remaining, 236.183594 MB of memory in use. ENERGY: 3089200 4047.4335 20533.8007 14403.3875 282.9546 -203289.4562 2629.2772 0.0000 0.0000 52251.8721 -109140.7305 300.2922 -161392.6026 -108791.1766 299.6721 -26.1192 0.8454 761523.4892 4.4507 4.4227 PRESSURE: 3089400 206.563 117.044 -105.71 117.044 -290.204 66.2424 -105.71 66.2414 -93.273 GPRESSURE: 3089400 250.889 30.3252 -109.944 226.169 -251.431 48.6752 -121.819 91.8121 -87.4647 PRESSAVG: 3089400 15.1144 69.9189 -12.7003 69.919 -17.2148 4.99724 -12.7003 4.99721 -15.752 GPRESSAVG: 3089400 15.1594 67.7325 -12.5024 73.089 -17.6139 6.23935 -13.0303 6.30222 -15.3792 TIMING: 3089400 CPU: 9757.08, 0.00314598/step Wall: 9757.08, 0.00314598/step, 1.66964 hours remaining, 236.183594 MB of memory in use. ENERGY: 3089400 4069.3009 20499.0155 14385.4367 240.6426 -203236.7370 2734.7014 0.0000 0.0000 52061.7351 -109245.9049 299.1995 -161307.6400 -108878.9108 300.0106 -58.9715 -29.3358 762795.4276 -5.9508 -5.9446 PRESSURE: 3089600 -188.129 122.008 187.31 122.009 -352.3 39.0092 187.31 39.0107 234.708 GPRESSURE: 3089600 -195.432 176.241 144.599 96.1794 -279.933 69.0041 178.827 43.5037 226.308 PRESSAVG: 3089600 9.18032 45.5351 -15.6718 45.5351 -28.8036 -11.0257 -15.6719 -11.0257 4.4179 GPRESSAVG: 3089600 9.22649 46.4642 -16.6672 44.8947 -28.0181 -12.2136 -15.1362 -8.88095 3.76689 TIMING: 3089600 CPU: 9757.72, 0.00316382/step Wall: 9757.72, 0.00316382/step, 1.67893 hours remaining, 236.183594 MB of memory in use. ENERGY: 3089600 3986.6875 20611.4665 14465.4129 254.2944 -203053.3159 2581.7739 0.0000 0.0000 51912.9111 -109240.7696 298.3442 -161153.6807 -108883.9283 299.1445 -101.9071 -83.0188 760922.2398 -5.0685 -5.0082 PRESSURE: 3089800 -79.6185 70.9243 142.58 70.9246 -15.1369 238.571 142.579 238.572 317.373 GPRESSURE: 3089800 -18.7114 8.24342 30.0533 71.9001 -0.941776 239.725 202.378 223.947 332.658 PRESSAVG: 3089800 -37.403 1.14646 24.55 1.14652 -9.38475 -22.8795 24.55 -22.8795 -1.61327 GPRESSAVG: 3089800 -37.7269 2.03763 25.1532 0.860234 -10.1171 -22.7375 24.1625 -26.1639 -0.358304 TIMING: 3089800 CPU: 9758.35, 0.0031608/step Wall: 9758.35, 0.0031608/step, 1.67716 hours remaining, 236.183594 MB of memory in use. ENERGY: 3089800 4035.7321 20410.9992 14445.0786 248.5672 -203319.3474 2712.9914 0.0000 0.0000 52215.0093 -109250.9696 300.0804 -161465.9789 -108890.3439 299.7249 74.2057 104.3349 762483.9689 -16.1337 -16.0674 PRESSURE: 3090000 -361.915 -185.68 -256.628 -185.68 -186.123 -13.9744 -256.628 -13.9741 -147.716 GPRESSURE: 3090000 -383.239 -72.5279 -237.833 -95.787 -123.282 -59.9361 -143.259 53.9613 -110.623 PRESSAVG: 3090000 -61.6363 21.3155 7.03494 21.3155 16.4231 -35.1892 7.03489 -35.1892 7.76122 GPRESSAVG: 3090000 -60.825 22.137 6.52343 19.8683 17.2443 -35.4592 7.90191 -33.1991 6.5516 TIMING: 3090000 CPU: 9758.98, 0.00316655/step Wall: 9758.98, 0.00316655/step, 1.68003 hours remaining, 236.183594 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: 3090000 3931.0584 20625.5299 14451.1693 258.3662 -203045.1569 2657.1738 0.0000 0.0000 51979.6642 -109142.1951 298.7278 -161121.8593 -108781.9897 299.7228 -231.9180 -205.7146 762698.6298 -12.4840 -12.3430 PRESSURE: 3090200 -261.324 -145.514 -171.789 -145.515 -1.35258 -50.7378 -171.789 -50.7392 -195.551 GPRESSURE: 3090200 -181.14 -170.503 -292.232 23.0212 -62.4262 -42.5202 -215.697 -52.1249 -136.014 PRESSAVG: 3090200 7.85099 -41.2946 2.80915 -41.2946 19.9824 18.1626 2.80915 18.1625 -12.1384 GPRESSAVG: 3090200 7.47431 -44.231 2.80617 -39.4213 19.8765 18.4309 3.57591 18.4498 -11.8485 TIMING: 3090200 CPU: 9759.61, 0.00314438/step Wall: 9759.61, 0.00314438/step, 1.66809 hours remaining, 236.183594 MB of memory in use. ENERGY: 3090200 3972.1794 20614.0021 14462.0988 233.8019 -203003.4944 2466.0657 0.0000 0.0000 51938.3640 -109316.9826 298.4905 -161255.3465 -108958.5274 299.7505 -152.7425 -126.5268 763193.8258 5.2317 5.1674 PRESSURE: 3090400 -78.5257 178.413 21.7626 178.413 -108.123 65.4039 21.7629 65.4028 110.786 GPRESSURE: 3090400 -3.82266 245.844 -60.6448 131.707 -89.2943 100.69 205.259 74.6249 101.94 PRESSAVG: 3090400 -13.7233 5.62563 35.0234 5.62565 21.1491 9.97384 35.0234 9.97384 6.72351 GPRESSAVG: 3090400 -13.6621 7.73649 35.4568 5.16292 20.2367 9.20024 35.5945 9.5242 7.61259 TIMING: 3090400 CPU: 9760.24, 0.00316132/step Wall: 9760.24, 0.00316132/step, 1.6769 hours remaining, 236.183594 MB of memory in use. ENERGY: 3090400 4042.5851 20390.0050 14417.6638 233.7557 -203339.5187 2720.0570 0.0000 0.0000 52003.8588 -109531.5933 298.8669 -161535.4521 -109166.5739 299.3042 -25.2876 2.9411 762952.2746 4.7165 4.7291 PRESSURE: 3090600 -309.174 257.409 71.6111 257.409 2.84375 29.6022 71.6113 29.6017 -392.23 GPRESSURE: 3090600 -245.299 103.663 110.833 203.435 5.04179 19.3758 -17.7564 -0.577916 -388.444 PRESSAVG: 3090600 -37.0336 17.0758 31.9164 17.0758 -8.61793 12.0525 31.9164 12.0524 -3.10686 GPRESSAVG: 3090600 -36.4206 17.5458 31.5046 16.8589 -7.75848 13.1021 29.3663 12.5974 -4.48299 TIMING: 3090600 CPU: 9760.88, 0.00317691/step Wall: 9760.88, 0.00317691/step, 1.685 hours remaining, 236.183594 MB of memory in use. ENERGY: 3090600 4006.0403 20368.7317 14500.1567 232.6880 -202645.8225 2238.2952 0.0000 0.0000 51851.7658 -109448.1448 297.9928 -161299.9106 -109090.5012 298.9276 -232.8533 -209.5670 763026.0344 -16.2528 -16.2207 PRESSURE: 3090800 162.938 -62.1237 103.853 -62.1241 -308.725 -39.3419 103.852 -39.3423 7.17849 GPRESSURE: 3090800 214.271 -37.3345 104.054 -68.734 -307.478 -143.155 135.9 31.3372 31.3746 PRESSAVG: 3090800 -41.5025 4.88404 -3.55285 4.88409 37.4131 -30.4151 -3.55284 -30.4151 18.9144 GPRESSAVG: 3090800 -41.0055 2.25858 -4.51347 6.25825 36.0592 -31.5801 -2.40103 -30.1537 19.6574 TIMING: 3090800 CPU: 9761.51, 0.0031798/step Wall: 9761.51, 0.0031798/step, 1.68635 hours remaining, 236.183594 MB of memory in use. ENERGY: 3090800 3989.8123 20675.9825 14394.3598 248.5128 -203487.0263 2736.1762 0.0000 0.0000 52121.3049 -109320.8778 299.5419 -161442.1827 -108972.1648 299.3287 -46.2030 -20.6106 762316.1985 4.9417 4.9037 PRESSURE: 3091000 -594.034 -22.6174 -82.4144 -22.6177 -322.996 67.547 -82.4143 67.5461 -150.898 GPRESSURE: 3091000 -515.761 83.4347 -104.408 -60.2946 -234.236 -88.4557 -77.613 112.454 -218.063 PRESSAVG: 3091000 5.18533 7.066 1.64004 7.06605 18.2855 25.25 1.64003 25.2501 18.9702 GPRESSAVG: 3091000 3.4599 9.12231 2.40464 4.58774 18.7479 25.4184 2.09017 24.377 19.5754 TIMING: 3091000 CPU: 9762.15, 0.0031557/step Wall: 9762.15, 0.0031557/step, 1.6734 hours remaining, 236.183594 MB of memory in use. ENERGY: 3091000 4008.4955 20454.2622 14393.5886 245.7988 -202872.3848 2361.5123 0.0000 0.0000 52209.0924 -109199.6350 300.0464 -161408.7274 -108835.7671 299.9504 -355.9762 -322.6865 763137.8151 14.1470 13.9277 PRESSURE: 3091200 -197.643 -35.995 109.625 -35.9946 -29.9056 207.701 109.625 207.702 344.268 GPRESSURE: 3091200 -63.3731 -60.1909 66.5161 53.0004 -88.3352 189.365 100.313 149.593 347.21 PRESSAVG: 3091200 -71.4421 11.809 15.6407 11.809 83.1836 7.29558 15.6407 7.29565 7.78027 GPRESSAVG: 3091200 -70.1961 11.768 15.5964 14.9727 83.0517 8.47429 14.6887 6.06344 6.55653 TIMING: 3091200 CPU: 9762.77, 0.00313614/step Wall: 9762.77, 0.00313614/step, 1.66285 hours remaining, 236.183594 MB of memory in use. ENERGY: 3091200 3964.3656 20643.1950 14436.0986 241.7684 -203378.7792 2829.3744 0.0000 0.0000 52085.3714 -109178.6057 299.3353 -161263.9771 -108827.5286 299.6797 38.9064 65.1674 763115.0191 6.5072 6.4707 PRESSURE: 3091400 26.1033 -1.16171 -79.3282 -1.16159 38.5401 -201.028 -79.3289 -201.029 -102.619 GPRESSURE: 3091400 -28.4656 -31.5159 -70.3788 -25.2921 124.127 -200.767 -123.884 -113.343 -61.7345 PRESSAVG: 3091400 -3.98117 -10.7959 34.8643 -10.7958 -2.20763 -29.3027 34.8643 -29.3027 12.2891 GPRESSAVG: 3091400 -4.82823 -11.3955 35.3939 -11.4321 -2.60851 -30.9331 34.6182 -27.4618 13.6248 TIMING: 3091400 CPU: 9763.4, 0.00315707/step Wall: 9763.4, 0.00315707/step, 1.67377 hours remaining, 236.183594 MB of memory in use. ENERGY: 3091400 3990.2891 20729.3327 14483.1596 242.4187 -203292.2961 2481.4205 0.0000 0.0000 52515.9059 -108849.7697 301.8096 -161365.6756 -108485.8340 300.5052 -12.6586 11.3091 761133.3080 2.0334 2.0627 PRESSURE: 3091600 -258.972 -29.0688 51.0932 -29.0683 -332.593 223.026 51.0932 223.025 -19.1748 GPRESSURE: 3091600 -177.064 -14.586 -3.26005 95.8977 -287.777 203.428 19.507 149.128 -67.7325 PRESSAVG: 3091600 10.2178 4.35167 36.4889 4.35166 -22.3969 -2.12911 36.4889 -2.12913 16.3534 GPRESSAVG: 3091600 10.0016 3.96874 33.1032 3.40168 -21.384 -1.94248 37.0345 -2.76003 15.2 TIMING: 3091600 CPU: 9764.04, 0.00316566/step Wall: 9764.04, 0.00316566/step, 1.67815 hours remaining, 236.183594 MB of memory in use. ENERGY: 3091600 4037.4936 20567.9872 14381.9153 253.1613 -203045.2645 2498.9484 0.0000 0.0000 52432.6373 -108873.1214 301.3311 -161305.7587 -108505.1959 299.8538 -203.5800 -177.5245 761156.3524 1.3914 1.2725 PRESSURE: 3091800 18.8305 -69.9057 105.027 -69.9059 200.142 -28.7847 105.027 -28.7852 17.4881 GPRESSURE: 3091800 167.476 22.1562 23.9152 -38.7625 190.236 -3.23851 214.166 -7.30807 -31.7318 PRESSAVG: 3091800 48.4437 9.68992 -21.6277 9.68994 -42.4842 15.8346 -21.6277 15.8346 9.80184 GPRESSAVG: 3091800 48.6442 9.42503 -18.6838 7.85997 -42.47 15.5182 -21.663 15.2398 10.0797 TIMING: 3091800 CPU: 9764.68, 0.0031889/step Wall: 9764.68, 0.0031889/step, 1.6903 hours remaining, 236.183594 MB of memory in use. ENERGY: 3091800 3957.2571 20479.2569 14431.7239 254.6267 -202819.4892 2724.7316 0.0000 0.0000 52057.6909 -108914.2022 299.1763 -160971.8931 -108550.0525 299.9123 78.8201 108.6602 760416.5634 5.2538 5.4180 PRESSURE: 3092000 146.801 201.579 42.4486 201.579 -114.542 10.1021 42.4484 10.1023 432.219 GPRESSURE: 3092000 232.12 226.861 148.341 160.403 -49.9234 -58.6232 82.2832 -38.8508 373.459 PRESSAVG: 3092000 77.1463 30.446 14.6352 30.446 -45.9048 55.6019 14.6352 55.602 21.8132 GPRESSAVG: 3092000 77.8486 30.5735 14.2722 32.9201 -46.2441 56.341 17.0481 55.3098 21.9129 TIMING: 3092000 CPU: 9765.31, 0.00318136/step Wall: 9765.31, 0.00318136/step, 1.68612 hours remaining, 236.183594 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: 3092000 3940.2560 20491.4405 14381.7343 245.7671 -202969.6169 2685.9543 0.0000 0.0000 52103.4992 -109120.9656 299.4395 -161224.4647 -108759.4000 299.9516 154.8260 185.2186 761838.5846 17.6849 17.8391 PRESSURE: 3092200 -136.365 81.0728 146.029 81.0731 92.3134 217.796 146.029 217.795 -593.001 GPRESSURE: 3092200 -149.585 42.4496 116.773 55.2318 119.593 218.416 101.369 134.825 -529.385 PRESSAVG: 3092200 8.28004 16.8108 14.1359 16.8108 -12.97 25.946 14.136 25.946 -0.987116 GPRESSAVG: 3092200 7.37645 18.6828 12.7336 16.7778 -11.7052 25.4605 11.0172 26.4235 -1.70275 TIMING: 3092200 CPU: 9765.95, 0.00317743/step Wall: 9765.95, 0.00317743/step, 1.68386 hours remaining, 236.183594 MB of memory in use. ENERGY: 3092200 4062.2757 20363.2561 14429.7205 234.4424 -203214.1037 2599.3739 0.0000 0.0000 52323.7777 -109201.2573 300.7055 -161525.0350 -108843.3614 299.7166 -212.3508 -186.4587 763514.7898 -1.8924 -2.0105 LDB: ============= START OF LOAD BALANCING ============== 9778.48 LDB: ============== END OF LOAD BALANCING =============== 9778.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9778.48 LDB: ============= START OF LOAD BALANCING ============== 9778.8 LDB: Largest compute 7057 load 0.031843 is 16.3% of average load 0.195584 LDB: Average compute 0.004392 is 2.2% of average load 0.195584 LDB: TIME 9778.8 LOAD: AVG 0.195584 MAX 0.216555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 9778.8 LOAD: AVG 0.195584 MAX 0.216555 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 9778.8 LOAD: AVG 0.195584 MAX 0.216555 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 9778.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9778.81 PRESSURE: 3092400 -249.497 113.452 22.499 113.453 -677.74 24.6696 22.4997 24.6699 -238.503 GPRESSURE: 3092400 -216.131 94.1216 6.99066 58.6504 -695.863 -16.0481 169.421 -4.64729 -157.215 PRESSAVG: 3092400 4.78701 9.4403 12.6806 9.4403 -9.09707 -43.31 12.6806 -43.31 -3.64317 GPRESSAVG: 3092400 4.36984 8.72126 14.3208 9.77579 -8.74971 -42.4781 13.1902 -45.2694 -2.92463 TIMING: 3092400 CPU: 9766.59, 0.00323877/step Wall: 9766.59, 0.00323877/step, 1.71619 hours remaining, 234.679688 MB of memory in use. ENERGY: 3092400 4044.7438 20538.9090 14473.5619 253.5472 -202569.6412 2166.1964 0.0000 0.0000 51987.3890 -109105.2940 298.7722 -161092.6830 -108749.6669 299.6186 -388.5797 -356.4032 760943.6597 -2.6511 -2.4348 PRESSURE: 3092600 -156.986 -223.508 -89.4413 -223.508 7.60373 50.7524 -89.4421 50.7513 57.252 GPRESSURE: 3092600 -153.475 -331.821 -69.2089 -201.793 43.2779 -47.4221 -127.184 20.1747 78.997 PRESSAVG: 3092600 -23.5846 -1.29221 23.524 -1.29221 23.1665 -11.3804 23.5241 -11.3804 -4.02408 GPRESSAVG: 3092600 -21.1721 -2.29353 23.0931 -1.82478 21.9677 -11.3088 23.8972 -9.8401 -5.13118 TIMING: 3092600 CPU: 9767.23, 0.00315171/step Wall: 9767.23, 0.00315171/step, 1.66988 hours remaining, 234.679688 MB of memory in use. ENERGY: 3092600 3950.3411 20584.1442 14434.1688 246.1516 -202755.8566 2308.7056 0.0000 0.0000 52128.8388 -109103.5066 299.5852 -161232.3454 -108744.6991 299.9163 -30.7099 -10.3999 762970.4904 -1.4807 -1.4452 PRESSURE: 3092800 -175.913 -89.2182 124.584 -89.2184 -220.955 -170.95 124.584 -170.951 -426.974 GPRESSURE: 3092800 -174.174 -175.787 80.3208 -152.455 -138.516 -182.266 204.654 -152.007 -447.789 PRESSAVG: 3092800 9.23838 25.8731 7.80695 25.8731 17.0319 -6.87942 7.80696 -6.87942 0.265902 GPRESSAVG: 3092800 7.91622 25.2902 8.30749 25.9023 16.5365 -7.62078 6.60615 -6.35004 1.78688 TIMING: 3092800 CPU: 9767.86, 0.00315533/step Wall: 9767.86, 0.00315533/step, 1.67162 hours remaining, 234.882812 MB of memory in use. ENERGY: 3092800 4059.9156 20551.6654 14459.8679 247.8398 -202957.5138 2323.1940 0.0000 0.0000 52186.6972 -109128.3341 299.9177 -161315.0312 -108755.2744 299.7254 -274.6139 -253.4930 761396.4597 8.8454 8.7465 PRESSURE: 3093000 155.102 42.6962 105.687 42.6963 -205.501 339.563 105.687 339.563 -173.249 GPRESSURE: 3093000 142.699 56.533 55.1461 -56.3527 -167.534 212.766 80.7044 226.435 -123.371 PRESSAVG: 3093000 30.9028 -5.81774 30.5747 -5.81778 3.66224 76.5428 30.5748 76.5428 21.3245 GPRESSAVG: 3093000 31.3738 -3.72243 30.746 -6.04281 3.29504 77.3484 30.838 73.1743 21.044 TIMING: 3093000 CPU: 9768.49, 0.00318755/step Wall: 9768.49, 0.00318755/step, 1.68852 hours remaining, 234.882812 MB of memory in use. ENERGY: 3093000 3980.5395 20521.2323 14415.5917 243.1341 -203231.4252 2505.4649 0.0000 0.0000 51956.5897 -109608.8729 298.5952 -161565.4626 -109240.5128 299.6277 -74.5494 -49.4019 762232.9555 18.6298 18.5710 PRESSURE: 3093200 -151.68 90.2429 46.8903 90.2431 183.031 -4.97105 46.8904 -4.97197 -159.896 GPRESSURE: 3093200 -84.9684 146.119 24.9842 82.5701 184.252 -128.625 19.8771 35.6213 -138.199 PRESSAVG: 3093200 25.0766 -0.0531901 23.2322 -0.0531536 -14.3166 3.78125 23.2322 3.78133 -17.8425 GPRESSAVG: 3093200 23.7567 -0.177833 21.996 -1.63775 -12.5889 4.02892 23.8916 5.12298 -18.0091 TIMING: 3093200 CPU: 9769.13, 0.00315765/step Wall: 9769.13, 0.00315765/step, 1.6725 hours remaining, 234.882812 MB of memory in use. ENERGY: 3093200 3995.6556 20294.8538 14419.0895 234.6381 -203264.9343 2483.8553 0.0000 0.0000 52291.9325 -109544.9095 300.5225 -161836.8420 -109177.8629 299.0280 -42.8484 -12.9721 762735.2466 -2.3608 -2.2804 PRESSURE: 3093400 -59.443 61.7073 -65.5906 61.7079 6.12055 59.0768 -65.5919 59.0778 40.468 GPRESSURE: 3093400 16.0187 90.338 -119.643 39.0437 4.50302 43.4337 21.4371 54.3178 36.0357 PRESSAVG: 3093400 -6.26293 21.3558 63.8428 21.3558 -5.34858 -18.0623 63.8428 -18.0623 18.0068 GPRESSAVG: 3093400 -5.57341 23.1329 63.5953 19.5089 -7.41689 -18.2567 64.5451 -14.6815 18.9191 TIMING: 3093400 CPU: 9769.76, 0.00315607/step Wall: 9769.76, 0.00315607/step, 1.67149 hours remaining, 234.882812 MB of memory in use. ENERGY: 3093400 4004.1277 20663.0012 14463.7635 248.1282 -203627.7551 2856.7289 0.0000 0.0000 51944.0387 -109447.9669 298.5231 -161392.0056 -109085.1281 299.7348 -4.2848 18.8525 762150.3632 2.1318 1.9763 PRESSURE: 3093600 111.13 -88.0143 -117.979 -88.0145 156.9 28.2718 -117.979 28.2717 -132.846 GPRESSURE: 3093600 168.753 -34.3757 -38.9939 54.936 105.003 -25.252 -77.6977 48.1548 -77.8911 PRESSAVG: 3093600 13.0228 18.8739 -6.12382 18.8739 21.0736 16.439 -6.12384 16.439 -34.3996 GPRESSAVG: 3093600 12.8967 16.4886 -6.42848 23.0117 22.9696 16.9335 -5.63873 14.7221 -35.5505 TIMING: 3093600 CPU: 9770.38, 0.00313933/step Wall: 9770.38, 0.00313933/step, 1.66245 hours remaining, 234.882812 MB of memory in use. ENERGY: 3093600 3956.1063 20470.4976 14406.1915 235.1666 -203304.1852 2762.6784 0.0000 0.0000 51943.9377 -109529.6072 298.5225 -161473.5449 -109170.1713 299.1243 45.0612 65.2883 763617.2493 -0.1011 0.1053 PRESSURE: 3093800 130.568 263.988 -2.74655 263.988 250.969 58.2639 -2.74653 58.2654 210.392 GPRESSURE: 3093800 240.17 96.4806 -47.464 275.603 317.114 13.3176 -154.385 51.4306 121.607 PRESSAVG: 3093800 58.7752 22.5644 -50.1642 22.5643 4.30986 32.8918 -50.1642 32.8918 19.8212 GPRESSAVG: 3093800 58.6144 21.6965 -50.0455 21.3611 4.02445 32.823 -50.7786 31.4927 20.9762 TIMING: 3093800 CPU: 9771.01, 0.00314181/step Wall: 9771.01, 0.00314181/step, 1.66359 hours remaining, 234.882812 MB of memory in use. ENERGY: 3093800 4012.0563 20210.9589 14430.7441 237.9796 -203265.2511 2832.8599 0.0000 0.0000 52009.2201 -109531.4322 298.8977 -161540.6523 -109165.2328 299.1071 197.3097 226.2970 762746.3354 27.6354 27.8717 PRESSURE: 3094000 -50.2881 123.216 -60.059 123.216 18.9503 67.2142 -60.06 67.2136 140.442 GPRESSURE: 3094000 -18.0404 204.386 60.9757 145.82 33.6277 -50.8999 -54.4004 127.479 167.618 PRESSAVG: 3094000 65.8048 -12.7181 28.4401 -12.718 -64.7426 33.6011 28.4401 33.6012 9.21678 GPRESSAVG: 3094000 65.2606 -12.8458 27.9063 -13.7461 -64.9976 31.8852 28.1403 37.6236 10.089 TIMING: 3094000 CPU: 9771.64, 0.00314445/step Wall: 9771.64, 0.00314445/step, 1.66481 hours remaining, 234.882812 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: 3094000 3960.0138 20348.5296 14387.0619 239.0822 -203206.5695 2547.0361 0.0000 0.0000 51997.9639 -109726.8821 298.8330 -161724.8460 -109360.1013 298.7333 36.3679 61.0683 763530.9062 3.4263 3.4507 PRESSURE: 3094200 -57.4123 -32.3385 -6.96209 -32.3383 -26.0477 -93.735 -6.96087 -93.7337 149.152 GPRESSURE: 3094200 61.678 98.6849 57.2554 -150.008 -42.261 -92.73 14.2888 -91.417 135.752 PRESSAVG: 3094200 13.742 73.9738 -20.092 73.9739 -58.5279 9.71066 -20.0919 9.71067 -3.3541 GPRESSAVG: 3094200 13.6074 75.4318 -20.0211 74.4595 -57.8844 10.8118 -20.9701 7.79137 -3.86012 TIMING: 3094200 CPU: 9772.27, 0.00313998/step Wall: 9772.27, 0.00313998/step, 1.66227 hours remaining, 234.882812 MB of memory in use. ENERGY: 3094200 3989.7539 20326.3683 14442.9521 242.9632 -203312.3437 2818.6794 0.0000 0.0000 52096.0489 -109395.5778 299.3967 -161491.6267 -109027.1696 298.4804 21.8973 51.7230 762191.1462 -16.0467 -16.0457 PRESSURE: 3094400 4.51474 109.03 86.9188 109.031 187.342 -201.934 86.9179 -201.933 -648.017 GPRESSURE: 3094400 147.028 62.3904 33.191 47.4935 59.2122 -282.413 110.67 -130.853 -567.233 PRESSAVG: 3094400 34.7983 31.5041 -42.1901 31.5041 -8.12388 4.1501 -42.1901 4.1501 22.6495 GPRESSAVG: 3094400 35.0228 29.3332 -40.8939 33.8836 -8.41464 3.83333 -42.2541 4.46498 23.0591 TIMING: 3094400 CPU: 9772.9, 0.00313566/step Wall: 9772.9, 0.00313566/step, 1.65981 hours remaining, 234.882812 MB of memory in use. ENERGY: 3094400 3983.3008 20360.2816 14386.5850 255.6217 -202917.5652 2470.3480 0.0000 0.0000 52060.4311 -109400.9970 299.1920 -161461.4281 -109053.9895 298.8288 -152.0536 -120.3309 761143.3607 16.4413 16.5557 PRESSURE: 3094600 135.243 108.557 -39.8437 108.556 240.811 114.645 -39.8442 114.645 151.256 GPRESSURE: 3094600 127.243 144.221 16.5534 89.1223 214.848 129.644 -24.1273 171.655 262.611 PRESSAVG: 3094600 28.5068 44.8404 -49.6989 44.8404 29.973 37.291 -49.6989 37.291 -15.1211 GPRESSAVG: 3094600 28.7384 46.4119 -49.1825 42.7373 29.474 36.4297 -50.927 37.6955 -15.0095 TIMING: 3094600 CPU: 9773.53, 0.00315644/step Wall: 9773.53, 0.00315644/step, 1.67063 hours remaining, 234.882812 MB of memory in use. ENERGY: 3094600 3984.3007 20304.4544 14479.1958 253.1900 -202926.5535 2640.4210 0.0000 0.0000 52021.9092 -109243.0823 298.9706 -161264.9915 -108882.9208 299.0690 175.7700 201.5672 763182.5907 14.4529 14.4010 PRESSURE: 3094800 -111.343 224.24 -258.078 224.24 -192.608 183.107 -258.078 183.108 -172.032 GPRESSURE: 3094800 -48.46 164.224 -302.291 204.896 -200.998 111.224 -158.919 35.13 -163.028 PRESSAVG: 3094800 8.35321 -7.11375 -48.7339 -7.11377 17.3152 20.4452 -48.734 20.4453 -3.24562 GPRESSAVG: 3094800 8.63716 -7.73919 -49.0599 -5.24173 17.5327 22.2856 -47.6139 19.0325 -3.89961 TIMING: 3094800 CPU: 9774.15, 0.00313238/step Wall: 9774.15, 0.00313238/step, 1.65773 hours remaining, 234.882812 MB of memory in use. ENERGY: 3094800 3978.2649 20442.1225 14401.3513 260.5406 -203087.6921 2470.5128 0.0000 0.0000 52065.8114 -109469.0887 299.2229 -161534.9001 -109116.3169 299.0983 -158.6609 -137.4955 764864.0988 7.4743 7.4234 PRESSURE: 3095000 -296.489 213.246 100.284 213.246 -7.80758 -4.52896 100.283 -4.52883 -308.736 GPRESSURE: 3095000 -318.023 117.937 63.8843 155.881 -26.0222 -30.4608 228.811 43.0824 -156.87 PRESSAVG: 3095000 15.2537 -31.5734 -45.4331 -31.5734 12.235 -6.10541 -45.4331 -6.10536 -5.2304 GPRESSAVG: 3095000 14.5434 -30.5167 -46.6758 -32.7131 12.9855 -6.23737 -44.4935 -4.2564 -5.3655 TIMING: 3095000 CPU: 9774.78, 0.00314478/step Wall: 9774.78, 0.00314478/step, 1.66411 hours remaining, 234.882812 MB of memory in use. ENERGY: 3095000 4099.3863 20397.2640 14372.6375 241.9148 -203187.6924 2664.2885 0.0000 0.0000 51868.8390 -109543.3623 298.0909 -161412.2013 -109185.4628 298.6405 -204.3440 -166.9716 763438.4277 7.4194 7.3878 PRESSURE: 3095200 150.527 89.211 183.568 89.211 392.995 211.822 183.568 211.822 -83.6945 GPRESSURE: 3095200 263.38 98.9129 171.328 49.8781 340.516 236.08 17.5975 199.552 -60.5825 PRESSAVG: 3095200 -7.94376 -13.0572 -5.34188 -13.0573 31.2332 36.2868 -5.3419 36.2868 -2.43945 GPRESSAVG: 3095200 -7.9743 -12.8881 -4.64206 -12.7619 30.3685 36.377 -7.80626 34.4589 -1.45787 TIMING: 3095200 CPU: 9775.41, 0.00314319/step Wall: 9775.41, 0.00314319/step, 1.6631 hours remaining, 234.882812 MB of memory in use. ENERGY: 3095200 3892.5851 20530.7723 14451.8774 238.2583 -203165.5616 2447.4571 0.0000 0.0000 52150.3516 -109454.2599 299.7088 -161604.6115 -109090.8059 298.9363 153.2758 181.1045 761116.0969 6.9500 6.9788 PRESSURE: 3095400 -114.283 -119.868 -42.6162 -119.867 -29.2503 -115.981 -42.6162 -115.981 -455.91 GPRESSURE: 3095400 -37.4063 -90.4507 -130.554 -116.509 -7.83689 -164.231 -118.121 -128.281 -453.872 PRESSAVG: 3095400 81.6563 53.835 -0.659591 53.835 2.36772 -6.79607 -0.659567 -6.79604 7.06549 GPRESSAVG: 3095400 83.2444 55.0514 -1.88487 54.449 2.85971 -9.35108 -0.195198 -4.39795 4.50841 TIMING: 3095400 CPU: 9776.04, 0.00314567/step Wall: 9776.04, 0.00314567/step, 1.66424 hours remaining, 234.882812 MB of memory in use. ENERGY: 3095400 4005.8491 20449.9906 14380.8314 215.2023 -203032.1177 2547.8710 0.0000 0.0000 52218.7900 -109213.5833 300.1021 -161432.3733 -108848.3079 299.3138 -199.8146 -166.3716 762614.2568 30.3632 30.2042 PRESSURE: 3095600 48.2977 -24.2046 -147.861 -24.2042 -159.439 68.2178 -147.86 68.2182 53.702 GPRESSURE: 3095600 -22.203 -21.2453 -124.019 -121.586 -143.183 143.875 -213.386 122.718 180.916 PRESSAVG: 3095600 56.85 -15.9322 24.6563 -15.9322 -62.1487 94.5002 24.6563 94.5002 -6.14897 GPRESSAVG: 3095600 55.9222 -17.7519 25.4411 -16.0476 -62.7054 96.4429 24.7836 92.3047 -4.78401 TIMING: 3095600 CPU: 9776.67, 0.00315566/step Wall: 9776.67, 0.00315566/step, 1.66934 hours remaining, 234.882812 MB of memory in use. ENERGY: 3095600 3969.0093 20483.5690 14483.3145 239.5743 -203002.2815 2724.3777 0.0000 0.0000 51648.9667 -109453.4700 296.8273 -161102.4367 -109095.3160 299.0231 -19.1465 5.1766 763258.7502 -3.8159 -3.8557 PRESSURE: 3095800 -84.7952 38.0853 -66.1749 38.0855 -220.181 -26.4702 -66.1751 -26.4695 -164.283 GPRESSURE: 3095800 63.0705 118.765 -107.389 97.3604 -226.694 -119.126 16.2075 80.729 -219.875 PRESSAVG: 3095800 51.4021 -6.23572 0.31975 -6.23571 -68.4371 53.8294 0.319735 53.8294 -16.8289 GPRESSAVG: 3095800 51.3712 -5.03187 0.874353 -5.92527 -68.4799 52.7347 -0.768862 54.7549 -17.2084 TIMING: 3095800 CPU: 9777.3, 0.00314985/step Wall: 9777.3, 0.00314985/step, 1.66609 hours remaining, 235.074219 MB of memory in use. ENERGY: 3095800 4022.2581 20305.1938 14461.8130 257.6365 -202903.3083 2543.1757 0.0000 0.0000 51816.6262 -109496.6049 297.7909 -161313.2312 -109132.8352 298.9399 -156.4197 -127.8331 764359.5820 -11.2880 -11.4390 PRESSURE: 3096000 113.634 -23.5121 209.6 -23.5131 56.6125 277.468 209.599 277.469 -200.208 GPRESSURE: 3096000 89.3479 48.7749 250.926 42.6803 115.057 113.785 88.5995 334.794 -164.38 PRESSAVG: 3096000 9.40794 28.5095 43.2962 28.5095 -29.5343 25.0031 43.2962 25.0031 -4.29721 GPRESSAVG: 3096000 8.24859 27.6022 42.5013 28.3706 -28.0329 24.224 44.7756 26.7508 -4.40672 TIMING: 3096000 CPU: 9777.93, 0.00313941/step Wall: 9777.93, 0.00313941/step, 1.6604 hours remaining, 235.074219 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: 3096000 3997.2958 20469.9748 14341.2976 239.1124 -203536.6315 2695.5582 0.0000 0.0000 52221.7077 -109571.6851 300.1189 -161793.3928 -109213.3672 298.5947 -9.9872 13.3418 763406.5068 -8.1412 -8.0637 PRESSURE: 3096200 -242.441 -63.698 175.996 -63.6981 -73.1347 93.6305 175.996 93.6293 -429.305 GPRESSURE: 3096200 -232.155 36.7917 222.242 -237.32 -53.1357 1.5265 129.034 25.5023 -367.27 PRESSAVG: 3096200 9.547 2.553 -6.3845 2.55296 -5.84475 50.3393 -6.38451 50.3393 3.83214 GPRESSAVG: 3096200 10.0883 3.42211 -6.31201 2.36584 -6.00678 50.563 -7.46238 49.5277 3.73224 TIMING: 3096200 CPU: 9778.56, 0.00313604/step Wall: 9778.56, 0.00313604/step, 1.65844 hours remaining, 235.074219 MB of memory in use. ENERGY: 3096200 3998.0180 20454.7359 14377.5589 249.9013 -202616.8590 2370.3689 0.0000 0.0000 52056.6967 -109109.5794 299.1706 -161166.2761 -108753.7790 299.3293 -248.2936 -217.5203 763801.5782 2.5115 2.6046 LDB: ============= START OF LOAD BALANCING ============== 9791.09 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9791.09 LDB: =============== DONE WITH MIGRATION ================ 9791.09 LDB: ============= START OF LOAD BALANCING ============== 9791.41 LDB: Largest compute 7075 load 0.032895 is 16.8% of average load 0.195597 LDB: Average compute 0.004393 is 2.2% of average load 0.195597 LDB: TIME 9791.41 LOAD: AVG 0.195597 MAX 0.21416 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.152 MB LDB: TIME 9791.41 LOAD: AVG 0.195597 MAX 0.21416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: TIME 9791.41 LOAD: AVG 0.195597 MAX 0.21416 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: ============== END OF LOAD BALANCING =============== 9791.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9791.42 PRESSURE: 3096400 -11.1972 -99.7628 -128.661 -99.7623 109.425 -121.339 -128.66 -121.339 -291.947 GPRESSURE: 3096400 19.7511 -5.63106 -133.339 -118.166 201.121 -154.743 -153.524 -125.152 -312.909 PRESSAVG: 3096400 13.3963 -28.2382 -6.96492 -28.2382 -21.4427 -10.1228 -6.96488 -10.1228 -10.8879 GPRESSAVG: 3096400 14.8632 -30.3311 -7.96764 -28.413 -21.4228 -10.1822 -6.33842 -10.153 -11.9796 TIMING: 3096400 CPU: 9779.2, 0.0032178/step Wall: 9779.2, 0.0032178/step, 1.7015 hours remaining, 234.871094 MB of memory in use. ENERGY: 3096400 3939.9669 20460.0512 14475.5241 233.5410 -203347.8843 2796.5962 0.0000 0.0000 52182.4641 -109259.7409 299.8933 -161442.2050 -108901.1353 299.5513 -64.5731 -30.6792 764427.7382 -6.3115 -6.1797 PRESSURE: 3096600 55.0514 -33.3131 -103.765 -33.3129 -89.9771 3.28569 -103.764 3.28465 82.942 GPRESSURE: 3096600 100.874 8.89964 -192.302 -25.6961 -46.7576 58.4847 -145.174 -4.79045 71.6054 PRESSAVG: 3096600 -29.7619 -33.0634 -24.3471 -33.0634 51.0499 48.155 -24.3471 48.155 6.95756 GPRESSAVG: 3096600 -31.3553 -32.8106 -23.3672 -33.5841 51.6447 49.4707 -26.0199 48.3586 8.01865 TIMING: 3096600 CPU: 9779.83, 0.00316586/step Wall: 9779.83, 0.00316586/step, 1.67386 hours remaining, 235.085938 MB of memory in use. ENERGY: 3096600 4012.9534 20591.7073 14479.5543 246.9202 -203059.6319 2533.3727 0.0000 0.0000 52056.4774 -109138.6468 299.1693 -161195.1241 -108779.3758 299.6768 16.0054 41.9071 764846.9759 9.4152 9.4360 PRESSURE: 3096800 -187.552 30.3192 -14.7188 30.3185 108.199 134.972 -14.7193 134.972 -33.4068 GPRESSURE: 3096800 -96.6825 67.987 0.993151 27.9618 97.9852 140.606 -9.25683 141.276 -42.1878 PRESSAVG: 3096800 -14.0143 -18.7097 3.65235 -18.7097 18.1771 4.498 3.65235 4.49791 21.0183 GPRESSAVG: 3096800 -12.618 -16.8189 3.53996 -18.7678 16.4834 2.43681 4.16912 4.03776 21.1837 TIMING: 3096800 CPU: 9780.46, 0.00314608/step Wall: 9780.46, 0.00314608/step, 1.66323 hours remaining, 235.085938 MB of memory in use. ENERGY: 3096800 3964.5025 20446.7465 14508.0487 254.1569 -203293.0205 2773.3914 0.0000 0.0000 52070.5048 -109275.6697 299.2499 -161346.1746 -108906.3262 299.6066 -37.5865 -13.6283 763633.3895 8.3937 8.3497 PRESSURE: 3097000 -246.78 -124.954 188.415 -124.954 -157.339 -62.971 188.415 -62.971 -346.425 GPRESSURE: 3097000 -188.061 -195.068 172.025 -148.453 -113.041 -63.066 249.208 -182.856 -356.609 PRESSAVG: 3097000 -6.5431 -26.0363 12.3556 -26.0363 4.02979 -8.68853 12.3556 -8.68845 -0.173917 GPRESSAVG: 3097000 -6.67658 -26.1957 11.0472 -27.0614 4.95609 -8.11065 15.0127 -8.31025 -1.3289 TIMING: 3097000 CPU: 9781.09, 0.00314296/step Wall: 9781.09, 0.00314296/step, 1.66141 hours remaining, 235.085938 MB of memory in use. ENERGY: 3097000 3968.7621 20742.2950 14493.6110 260.1097 -202793.2345 2238.1618 0.0000 0.0000 51883.9158 -109206.3792 298.1776 -161090.2950 -108847.6571 298.8467 -250.1816 -219.2371 763486.4019 -0.8957 -1.0165 PRESSURE: 3097200 193.486 38.0905 22.8166 38.0912 79.6416 208.283 22.8165 208.282 134.218 GPRESSURE: 3097200 255.538 102.309 87.6146 58.6364 125.605 264.704 43.1318 50.4623 103.205 PRESSAVG: 3097200 -44.8333 23.9791 5.11273 23.9791 12.7706 56.9786 5.11275 56.9785 2.78224 GPRESSAVG: 3097200 -45.8967 23.9256 5.38173 25.0975 12.1487 59.1064 5.28169 54.1353 4.43442 TIMING: 3097200 CPU: 9781.72, 0.00314153/step Wall: 9781.72, 0.00314153/step, 1.66047 hours remaining, 235.085938 MB of memory in use. ENERGY: 3097200 3999.2210 20494.9821 14472.2807 230.8385 -203215.7171 2900.9791 0.0000 0.0000 52104.1435 -109013.2723 299.4432 -161117.4158 -108651.8374 299.8379 135.7819 161.4491 762741.5474 -9.7601 -9.7712 PRESSURE: 3097400 -307.285 -291.195 -64.6154 -291.195 75.8343 -132.58 -64.6169 -132.579 32.2372 GPRESSURE: 3097400 -172.252 -286.599 -163.313 -275.442 36.1948 -109.029 61.3423 -96.2004 21.1602 PRESSAVG: 3097400 -2.65937 -25.4385 4.98159 -25.4385 -3.19215 -14.5136 4.98157 -14.5135 -3.88529 GPRESSAVG: 3097400 -1.21041 -25.0566 6.27751 -26.4955 -3.86576 -15.5765 4.61445 -11.9101 -5.12258 TIMING: 3097400 CPU: 9782.35, 0.0031598/step Wall: 9782.35, 0.0031598/step, 1.66995 hours remaining, 235.085938 MB of memory in use. ENERGY: 3097400 4019.4364 20521.5996 14432.0942 235.5606 -203247.6536 2641.3444 0.0000 0.0000 52197.0820 -109200.5364 299.9773 -161397.6184 -108846.8719 300.0132 -66.4046 -38.2990 763630.2264 -3.2456 -3.3996 PRESSURE: 3097600 -59.6375 134.203 128.22 134.203 -25.7328 -56.4462 128.22 -56.4458 224.964 GPRESSURE: 3097600 80.6786 175.439 168.565 57.4569 -26.3313 -108.529 134.888 -68.9849 158.565 PRESSAVG: 3097600 11.2951 12.3096 30.8374 12.3095 -6.44258 -8.77941 30.8374 -8.77941 20.7838 GPRESSAVG: 3097600 10.8344 11.6164 30.7797 12.7487 -6.22128 -9.1 29.7206 -8.60547 20.7039 TIMING: 3097600 CPU: 9782.99, 0.00316556/step Wall: 9782.99, 0.00316556/step, 1.67282 hours remaining, 235.085938 MB of memory in use. ENERGY: 3097600 4043.9509 20461.4927 14403.7231 250.6660 -203151.1968 2556.1920 0.0000 0.0000 52339.2124 -109095.9597 300.7942 -161435.1721 -108734.5557 300.1997 46.5313 70.9707 761992.4407 8.5454 8.4390 PRESSURE: 3097800 221.862 19.1512 28.1396 19.151 -190.252 238.655 28.1404 238.655 -497.167 GPRESSURE: 3097800 181.701 -12.5805 46.8208 -21.5786 -120.649 243.821 86.8103 237.826 -441.085 PRESSAVG: 3097800 -57.2393 -21.5493 51.9473 -21.5494 42.9688 56.5195 51.9473 56.5195 -1.93154 GPRESSAVG: 3097800 -57.5583 -21.6392 51.4706 -21.6837 43.0766 57.2945 51.4784 53.9628 -1.92972 TIMING: 3097800 CPU: 9783.62, 0.00316524/step Wall: 9783.62, 0.00316524/step, 1.67248 hours remaining, 235.085938 MB of memory in use. ENERGY: 3097800 4038.6110 20504.7685 14440.8660 241.2577 -203149.5811 2642.4436 0.0000 0.0000 51928.7281 -109352.9062 298.4351 -161281.6343 -108993.3379 299.7219 -155.1858 -126.6774 762088.0193 -5.4007 -5.4705 PRESSURE: 3098000 168.043 -360.187 168.323 -360.187 -146.759 -27.3859 168.323 -27.3864 284.765 GPRESSURE: 3098000 297.076 -332.93 157.929 -247.68 -114.58 -76.1345 210.431 28.6971 216.525 PRESSAVG: 3098000 2.95534 14.6494 37.9074 14.6494 -4.78713 43.136 37.9073 43.136 8.47666 GPRESSAVG: 3098000 3.39031 15.3391 37.3017 15.3622 -4.71745 41.5248 37.8566 42.179 8.291 TIMING: 3098000 CPU: 9784.25, 0.00313271/step Wall: 9784.25, 0.00313271/step, 1.65512 hours remaining, 235.085938 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: 3098000 3949.4926 20514.2992 14524.3202 233.2430 -203484.0947 3025.1984 0.0000 0.0000 52056.3005 -109181.2407 299.1683 -161237.5412 -108809.8477 299.6712 102.0165 133.0071 762786.4187 2.2150 2.3213 PRESSURE: 3098200 158.927 133.462 -54.7083 133.463 53.1244 147.42 -54.7088 147.419 47.0923 GPRESSURE: 3098200 164.459 -36.4072 -9.35441 137.302 71.1219 161.762 -21.121 105.999 125.089 PRESSAVG: 3098200 -15.1919 55.4147 -15.8139 55.4147 43.4072 36.912 -15.8138 36.912 -0.932764 GPRESSAVG: 3098200 -15.8802 54.9377 -16.4233 53.1436 42.8811 38.5138 -14.3482 38.5661 0.585083 TIMING: 3098200 CPU: 9784.88, 0.00315539/step Wall: 9784.88, 0.00315539/step, 1.66692 hours remaining, 235.085938 MB of memory in use. ENERGY: 3098200 4034.4019 20601.9522 14412.8283 235.6456 -203486.6362 2893.6559 0.0000 0.0000 52076.8893 -109231.2631 299.2866 -161308.1524 -108873.7328 299.5331 86.3812 120.2233 762193.5176 9.0942 9.1953 PRESSURE: 3098400 -7.44424 29.2494 134.941 29.2491 -46.0018 -29.3884 134.942 -29.3887 -296.901 GPRESSURE: 3098400 58.2233 92.1405 163.182 83.6174 -62.5077 -6.57012 33.2301 -93.0683 -266.099 PRESSAVG: 3098400 43.3115 -45.3117 23.1564 -45.3117 -11.6644 17.7933 23.1563 17.7933 5.99428 GPRESSAVG: 3098400 43.2593 -45.0895 23.1885 -44.5923 -11.4219 17.164 23.2477 17.7576 4.99813 TIMING: 3098400 CPU: 9785.51, 0.00316007/step Wall: 9785.51, 0.00316007/step, 1.66922 hours remaining, 235.085938 MB of memory in use. ENERGY: 3098400 3987.0126 20609.7432 14404.8038 241.4775 -203318.5604 2667.2800 0.0000 0.0000 52015.1339 -109393.1095 298.9317 -161408.2434 -109031.0154 299.6176 -116.7822 -90.1277 761490.9752 12.5471 12.2785 PRESSURE: 3098600 64.2706 76.3577 17.7994 76.3589 152.94 -247.377 17.7981 -247.377 -1.65809 GPRESSURE: 3098600 52.2441 172.428 19.1984 135.81 278.563 -274.029 -54.8633 -134.659 -23.2539 PRESSAVG: 3098600 -28.5175 17.073 74.0296 17.0729 16.2128 17.4976 74.0297 17.4976 -5.06934 GPRESSAVG: 3098600 -30.0384 17.8918 75.3395 19.1888 16.6485 17.4265 72.8403 19.3621 -3.90507 TIMING: 3098600 CPU: 9786.14, 0.00315022/step Wall: 9786.14, 0.00315022/step, 1.66384 hours remaining, 235.085938 MB of memory in use. ENERGY: 3098600 3934.7835 20555.5192 14450.7865 244.8138 -203491.5001 2655.1756 0.0000 0.0000 52214.1714 -109436.2502 300.0756 -161650.4215 -109076.6212 299.3998 71.8507 102.5178 761799.2681 -5.7913 -5.7650 PRESSURE: 3098800 129.771 179.78 -202.896 179.78 -10.5756 -135.013 -202.897 -135.011 114.785 GPRESSURE: 3098800 152.401 152.837 -103.455 297.596 104.523 -138.413 -125.625 -51.0257 72.4961 PRESSAVG: 3098800 2.40853 28 34.7502 28.0001 32.3046 12.659 34.7502 12.659 5.36949 GPRESSAVG: 3098800 3.51642 26.743 35.5816 27.2922 32.5183 11.0247 34.8689 14.8737 4.3924 TIMING: 3098800 CPU: 9786.77, 0.00317619/step Wall: 9786.77, 0.00317619/step, 1.67738 hours remaining, 235.152344 MB of memory in use. ENERGY: 3098800 3963.1170 20437.1185 14500.3885 238.4578 -203625.8166 2899.2200 0.0000 0.0000 51923.8821 -109663.6327 298.4073 -161587.5148 -109291.9412 298.9481 77.9933 109.8067 762215.3133 13.3609 13.4757 PRESSURE: 3099000 74.6229 -33.8521 -20.354 -33.8527 55.7959 -0.357347 -20.3543 -0.3578 185.626 GPRESSURE: 3099000 80.3708 -113.039 -107.365 -130.319 120.862 -137.297 43.3096 85.4304 198.74 PRESSAVG: 3099000 32.953 7.31332 22.9505 7.31327 -32.7301 -0.0838916 22.9505 -0.0838655 17.0398 GPRESSAVG: 3099000 33.0408 6.3036 22.2718 6.79573 -33.9054 1.74962 23.3799 -3.996 18.1371 TIMING: 3099000 CPU: 9787.4, 0.00315751/step Wall: 9787.4, 0.00315751/step, 1.66734 hours remaining, 235.152344 MB of memory in use. ENERGY: 3099000 4018.6671 20480.3042 14352.2939 229.7870 -203477.7178 2982.0983 0.0000 0.0000 51939.6951 -109474.8721 298.4981 -161414.5672 -109105.2716 298.4877 105.3483 133.3243 763389.8924 5.7542 5.7575 PRESSURE: 3099200 -188.767 91.07 25.2163 91.0698 -77.252 169.849 25.2163 169.849 260.77 GPRESSURE: 3099200 -175.586 120.096 40.3325 161.742 -18.697 89.3372 24.5083 206.137 284.982 PRESSAVG: 3099200 4.96304 -33.1181 -30.5931 -33.1181 -3.99496 -6.7589 -30.5931 -6.75893 -11.972 GPRESSAVG: 3099200 5.40018 -32.9968 -32.1986 -32.3237 -2.93063 -5.9055 -29.3339 -6.58523 -12.7786 TIMING: 3099200 CPU: 9788.04, 0.00316847/step Wall: 9788.04, 0.00316847/step, 1.67295 hours remaining, 235.152344 MB of memory in use. ENERGY: 3099200 3990.2461 20479.9887 14503.2681 239.7421 -203209.5521 2670.2618 0.0000 0.0000 52053.0884 -109272.9568 299.1498 -161326.0453 -108911.2114 299.0163 -1.7498 30.2328 763095.3003 -3.6680 -3.4364 PRESSURE: 3099400 263.526 37.2173 -41.8405 37.2175 -1.58399 56.3502 -41.8402 56.3505 261.745 GPRESSURE: 3099400 203.066 -42.8866 -30.4616 165.087 90.5975 54.9685 -49.4676 114.251 318.266 PRESSAVG: 3099400 -39.2405 -6.87548 -19.7135 -6.87544 6.53495 20.2061 -19.7134 20.2061 16.8505 GPRESSAVG: 3099400 -39.3455 -5.80197 -19.0355 -6.98539 6.85959 19.2991 -20.7025 22.8388 16.0302 TIMING: 3099400 CPU: 9788.67, 0.0031668/step Wall: 9788.67, 0.0031668/step, 1.6719 hours remaining, 235.152344 MB of memory in use. ENERGY: 3099400 3983.3758 20515.8611 14504.1375 259.6072 -203359.7799 2818.5221 0.0000 0.0000 52098.5986 -109179.6775 299.4114 -161278.2761 -108821.7887 299.8334 174.5622 203.9766 761767.1802 -5.2850 -5.4852 PRESSURE: 3099600 -311.14 -83.2594 200.38 -83.2592 -328.792 120.846 200.38 120.847 -93.2888 GPRESSURE: 3099600 -195.089 -20.6667 187.774 -53.0789 -356.861 74.9647 97.5888 71.2155 -84.0775 PRESSAVG: 3099600 7.24737 29.9503 19.938 29.9504 17.4812 35.4698 19.938 35.4698 4.58208 GPRESSAVG: 3099600 8.00226 29.5335 18.904 29.8521 15.5827 34.1141 18.9492 34.12 5.43347 TIMING: 3099600 CPU: 9789.3, 0.0031619/step Wall: 9789.3, 0.0031619/step, 1.66913 hours remaining, 235.152344 MB of memory in use. ENERGY: 3099600 3978.1984 20474.2440 14443.3507 255.0846 -203007.6461 2518.6200 0.0000 0.0000 52150.6564 -109187.4920 299.7105 -161338.1484 -108823.7750 299.7304 -244.4071 -212.0093 762864.0313 9.7702 9.6728 PRESSURE: 3099800 -463.843 -54.4474 111.356 -54.4476 -18.4097 -21.0514 111.356 -21.0515 -256.187 GPRESSURE: 3099800 -355.079 -28.8054 107.911 -160.759 7.03766 99.3266 40.7581 -17.2438 -284.276 PRESSAVG: 3099800 32.3323 -43.3094 -20.7548 -43.3094 13.0476 19.597 -20.7548 19.5971 -15.1196 GPRESSAVG: 3099800 33.5101 -43.2835 -18.7179 -42.0774 13.5421 22.3301 -21.0628 20.3545 -16.2547 TIMING: 3099800 CPU: 9789.94, 0.00316188/step Wall: 9789.94, 0.00316188/step, 1.66895 hours remaining, 235.152344 MB of memory in use. ENERGY: 3099800 3973.4847 20341.5376 14409.0189 227.4495 -203016.5519 2533.7690 0.0000 0.0000 52208.2253 -109323.0669 300.0414 -161531.2922 -108952.1209 299.7021 -246.1467 -210.7724 765580.7797 10.0868 10.2658 WRITING COORDINATES TO DCD FILE MD.1.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: 3100000 320.512 -24.0368 42.9435 -24.0367 -78.3492 -30.2484 42.943 -30.2486 1.77252 GPRESSURE: 3100000 232.721 -0.43828 21.9299 -49.6771 93.0714 -155.677 70.4251 -26.2624 -19.1363 PRESSAVG: 3100000 -1.53766 -13.3661 -25.3776 -13.3661 -20.6855 28.3261 -25.3775 28.3261 10.6403 GPRESSAVG: 3100000 -2.86957 -13.4184 -26.355 -13.9214 -20.1043 27.3103 -24.6176 28.7422 11.5548 TIMING: 3100000 CPU: 9790.59, 0.00325821/step Wall: 9790.59, 0.00325821/step, 1.71961 hours remaining, 235.210938 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: 3100000 3970.5166 20434.3246 14461.3698 267.4197 -203558.4553 2788.8434 0.0000 0.0000 51945.0920 -109690.8894 298.5292 -161635.9814 -109335.9473 299.0587 81.3119 102.2187 763738.8814 -3.8609 -3.8064 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 PRESSURE: 3100200 -6.77027 49.3684 76.3805 49.3679 150.807 112.218 76.3807 112.218 9.89878 GPRESSURE: 3100200 -7.75304 -19.2962 162.305 -3.85204 238.958 21.8128 107.867 169.431 17.3779 PRESSAVG: 3100200 40.5287 -29.3836 30.1579 -29.3836 -24.4116 40.0976 30.1579 40.0976 0.376319 GPRESSAVG: 3100200 40.3498 -29.4402 29.6699 -31.0438 -24.9345 41.5189 29.2319 38.8332 1.43073 TIMING: 3100200 CPU: 9791.22, 0.00315186/step Wall: 9791.22, 0.00315186/step, 1.66331 hours remaining, 235.210938 MB of memory in use. ENERGY: 3100200 4014.3900 20485.6922 14348.8277 239.4780 -203543.7032 2872.4865 0.0000 0.0000 51875.7457 -109707.0831 298.1306 -161582.8288 -109349.5504 298.4164 51.3117 82.8608 762146.3334 5.4978 5.6153 LDB: ============= START OF LOAD BALANCING ============== 9803.75 LDB: ============== END OF LOAD BALANCING =============== 9803.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9803.75 LDB: ============= START OF LOAD BALANCING ============== 9804.07 LDB: Largest compute 7075 load 0.032271 is 16.5% of average load 0.195648 LDB: Average compute 0.004375 is 2.2% of average load 0.195648 LDB: TIME 9804.07 LOAD: AVG 0.195648 MAX 0.212451 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.965 MB LDB: TIME 9804.07 LOAD: AVG 0.195648 MAX 0.212451 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.043 MB LDB: TIME 9804.07 LOAD: AVG 0.195648 MAX 0.212451 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.043 MB LDB: ============== END OF LOAD BALANCING =============== 9804.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9804.08 PRESSURE: 3100400 -574.517 -175.702 34.1994 -175.702 -273.322 -49.3347 34.1999 -49.3351 -51.7947 GPRESSURE: 3100400 -444.185 -154.117 35.315 -129.882 -204.746 -17.9383 -73.7075 -47.7658 -158.893 PRESSAVG: 3100400 23.9696 -53.6699 -26.4175 -53.6699 6.51475 -11.5477 -26.4175 -11.5476 -15.1684 GPRESSAVG: 3100400 23.7813 -56.1005 -25.5186 -52.2252 6.922 -11.8324 -25.3833 -12.5515 -15.7017 TIMING: 3100400 CPU: 9791.87, 0.00323262/step Wall: 9791.87, 0.00323262/step, 1.70575 hours remaining, 235.394531 MB of memory in use. ENERGY: 3100400 4029.9274 20479.6100 14374.3799 250.0687 -203457.4176 2612.1768 0.0000 0.0000 51989.7451 -109721.5099 298.7858 -161711.2550 -109360.8921 298.5003 -299.8779 -269.2744 764433.8183 5.1053 5.0006 PRESSURE: 3100600 33.5529 44.1612 54.5489 44.1619 6.3521 -216.077 54.5488 -216.077 187.941 GPRESSURE: 3100600 -70.4667 103.541 12.2041 1.13074 148.091 -147.385 123.894 -201.211 219.837 PRESSAVG: 3100600 -52.4583 -31.8866 -5.20141 -31.8866 11.0711 -14.8352 -5.20152 -14.8352 3.59481 GPRESSAVG: 3100600 -52.5736 -31.4472 -6.59368 -32.6644 11.4509 -16.7037 -6.17801 -14.2657 3.2669 TIMING: 3100600 CPU: 9792.5, 0.00317475/step Wall: 9792.5, 0.00317475/step, 1.67503 hours remaining, 235.449219 MB of memory in use. ENERGY: 3100600 3973.9514 20381.7312 14449.8041 239.7262 -203412.8541 2850.2980 0.0000 0.0000 51898.7265 -109618.6167 298.2627 -161517.3432 -109254.8084 298.3130 75.9486 99.1539 762602.4346 -12.5975 -12.6186 PRESSURE: 3100800 -50.3511 61.61 -47.3634 61.6097 -151.556 14.9512 -47.363 14.9498 -520.157 GPRESSURE: 3100800 -2.78435 94.4762 -106.996 65.1812 -147.027 66.7996 -66.656 85.5399 -509.905 PRESSAVG: 3100800 -37.0848 -52.0253 15.3907 -52.0253 36.2037 6.46021 15.3908 6.4602 1.65412 GPRESSAVG: 3100800 -36.0029 -49.7806 17.2903 -53.1264 35.9641 7.51746 16.0413 7.41659 1.20202 TIMING: 3100800 CPU: 9793.13, 0.00317082/step Wall: 9793.13, 0.00317082/step, 1.67278 hours remaining, 235.519531 MB of memory in use. ENERGY: 3100800 4011.8146 20408.7832 14426.7883 239.5204 -203379.0435 2495.6171 0.0000 0.0000 52255.9548 -109540.5651 300.3157 -161796.5199 -109177.2140 298.4069 -240.6879 -219.9055 761404.5272 0.2577 0.3877 PRESSURE: 3101000 -53.8859 107.386 -82.2603 107.386 20.999 -220.145 -82.2601 -220.145 699.67 GPRESSURE: 3101000 16.5803 141.942 -59.5035 263.93 120.116 -210.756 -75.0043 -166.692 635.906 PRESSAVG: 3101000 -12.9798 15.088 -18.7196 15.0879 0.0487026 -10.2474 -18.7196 -10.2474 -13.143 GPRESSAVG: 3101000 -14.306 15.0576 -19.6997 16.2821 0.847747 -11.0213 -20.1501 -11.0368 -12.1373 TIMING: 3101000 CPU: 9793.77, 0.00315467/step Wall: 9793.77, 0.00315467/step, 1.66409 hours remaining, 235.519531 MB of memory in use. ENERGY: 3101000 3926.3205 20457.2551 14422.4080 239.8465 -203739.8357 2775.5835 0.0000 0.0000 52108.8557 -109809.5664 299.4703 -161918.4221 -109449.0897 298.5143 222.2610 257.5342 762530.9937 -8.6914 -8.5319 PRESSURE: 3101200 -569.842 -48.7653 14.4565 -48.7647 84.7977 -76.7531 14.4552 -76.752 -177.4 GPRESSURE: 3101200 -434.767 7.26697 -15.4058 55.9626 21.8586 -175.547 37.1743 -102.144 -154.126 PRESSAVG: 3101200 -24.539 -24.4533 -44.1895 -24.4533 -3.01428 -60.1143 -44.1895 -60.1142 -32.8755 GPRESSAVG: 3101200 -23.9248 -26.1546 -44.3348 -24.266 -2.71648 -60.2864 -42.1243 -59.4085 -34.0504 TIMING: 3101200 CPU: 9794.39, 0.00313768/step Wall: 9794.39, 0.00313769/step, 1.65495 hours remaining, 235.519531 MB of memory in use. ENERGY: 3101200 4032.0487 20473.8057 14367.7263 238.5497 -202895.6751 2376.2442 0.0000 0.0000 51755.6883 -109651.6123 297.4407 -161407.3006 -109298.6688 298.4874 -220.8147 -189.0116 762504.0628 -20.1429 -20.2306 PRESSURE: 3101400 28.3483 -42.524 325.512 -42.5239 211.889 -111.547 325.512 -111.548 159.93 GPRESSURE: 3101400 86.4713 4.71656 269.341 -46.7032 319.182 -70.2718 320.407 -101.601 105.748 PRESSAVG: 3101400 39.1972 -35.3871 3.95215 -35.3872 -51.1551 -31.0632 3.95223 -31.0631 2.76953 GPRESSAVG: 3101400 39.0502 -33.9393 5.77645 -37.9701 -50.8093 -30.292 1.44324 -27.8397 2.10748 TIMING: 3101400 CPU: 9795.02, 0.00315428/step Wall: 9795.02, 0.00315428/step, 1.66353 hours remaining, 235.519531 MB of memory in use. ENERGY: 3101400 3998.4517 20411.1982 14422.7658 254.6417 -203352.4999 2845.7032 0.0000 0.0000 51970.7817 -109448.9575 298.6768 -161419.7393 -109081.1631 298.9433 133.3891 170.4671 761644.6919 -3.0628 -3.2172 PRESSURE: 3101600 267.721 -93.8234 94.8234 -93.8229 18.118 -147.088 94.8241 -147.088 142.637 GPRESSURE: 3101600 259.44 -33.5275 -12.8972 57.8569 107.114 -96.9573 114.049 -293.179 151.89 PRESSAVG: 3101600 -30.4183 -2.42645 -7.50879 -2.42644 37.0887 -81.0947 -7.50885 -81.0947 -6.90665 GPRESSAVG: 3101600 -29.8833 -2.51925 -7.60584 1.53675 35.4683 -80.0238 -5.87115 -84.2727 -5.82502 TIMING: 3101600 CPU: 9795.66, 0.00316528/step Wall: 9795.66, 0.00316528/step, 1.66916 hours remaining, 235.519531 MB of memory in use. ENERGY: 3101600 4046.8977 20381.5393 14508.6089 248.9044 -202885.4990 2433.9568 0.0000 0.0000 52074.8523 -109190.7395 299.2749 -161265.5918 -108831.6735 299.2454 142.8255 172.8147 760827.8393 -0.0787 -0.0800 PRESSURE: 3101800 -73.3308 -73.9018 5.03707 -73.9009 360.187 280.326 5.03665 280.327 280.981 GPRESSURE: 3101800 -72.2959 -108.517 -80.6777 -101.62 400.325 232.223 6.0928 355.958 334.588 PRESSAVG: 3101800 -9.66734 -6.75138 63.563 -6.75142 30.2847 -77.0791 63.563 -77.0792 15.1953 GPRESSAVG: 3101800 -10.7097 -8.07845 62.3366 -9.28554 31.5359 -78.3151 64.4852 -77.0577 15.1044 TIMING: 3101800 CPU: 9796.29, 0.00315396/step Wall: 9796.29, 0.00315396/step, 1.66301 hours remaining, 235.519531 MB of memory in use. ENERGY: 3101800 3940.3235 20572.0518 14417.1674 254.9270 -203395.8329 2830.6631 0.0000 0.0000 52028.5135 -109352.1866 299.0086 -161380.7001 -109004.7656 299.5778 189.2792 220.8722 761094.6093 11.9376 11.9769 PRESSURE: 3102000 127.986 -257.553 202.119 -257.553 273.322 -126.397 202.119 -126.397 108.64 GPRESSURE: 3102000 169.833 -127.044 161.007 -302.455 299.874 -197.14 46.7229 22.8994 93.453 PRESSAVG: 3102000 -38.0236 -37.0856 9.81313 -37.0856 -0.363078 5.60064 9.8131 5.60063 0.59239 GPRESSAVG: 3102000 -36.3377 -36.0407 9.2513 -36.9502 -1.97709 5.2354 10.1106 3.48147 0.714731 TIMING: 3102000 CPU: 9796.92, 0.00315345/step Wall: 9796.92, 0.00315345/step, 1.66257 hours remaining, 235.519531 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: 3102000 3873.5944 20412.1154 14369.0308 258.3749 -203361.6427 2754.7590 0.0000 0.0000 52087.7170 -109606.0512 299.3488 -161693.7682 -109244.4194 298.9594 169.9829 187.7200 761287.2171 -12.5981 -12.5334 PRESSURE: 3102200 261.025 3.4807 -46.9161 3.48022 -24.7139 -0.168355 -46.9169 -0.167884 -126.557 GPRESSURE: 3102200 318.407 202.93 -115.326 47.8579 16.3767 -105.123 -8.55368 15.3587 -138.644 PRESSAVG: 3102200 -1.24349 -2.9449 -13.3539 -2.94489 -22.2717 -68.6367 -13.3539 -68.6367 11.3681 GPRESSAVG: 3102200 -2.06012 -0.233573 -13.4669 -4.20449 -21.7437 -67.9638 -14.1161 -67.1408 11.0105 TIMING: 3102200 CPU: 9797.55, 0.0031474/step Wall: 9797.55, 0.0031474/step, 1.6592 hours remaining, 235.589844 MB of memory in use. ENERGY: 3102200 3968.4401 20546.5232 14464.9184 236.3177 -203561.4711 2878.7744 0.0000 0.0000 52034.5539 -109431.9435 299.0433 -161466.4974 -109065.5904 298.9711 36.5849 65.3801 763335.7526 -4.0490 -4.2645 PRESSURE: 3102400 162.746 -12.1776 30.8633 -12.1779 -78.8628 -146.091 30.8635 -146.091 197.896 GPRESSURE: 3102400 188.967 -2.63931 56.9051 8.70341 -11.3064 -216.719 -36.0018 -126.753 186.007 PRESSAVG: 3102400 -49.4981 -18.7155 -63.8535 -18.7156 38.3911 -54.0782 -63.8535 -54.0781 24.5543 GPRESSAVG: 3102400 -48.9405 -19.8056 -62.2661 -17.8992 39.8538 -53.9078 -63.8498 -54.0391 22.9253 TIMING: 3102400 CPU: 9798.18, 0.00315389/step Wall: 9798.18, 0.00315389/step, 1.66245 hours remaining, 235.589844 MB of memory in use. ENERGY: 3102400 3974.6440 20645.6657 14415.0257 263.4255 -203287.9639 2636.5351 0.0000 0.0000 51942.4270 -109410.2409 298.5138 -161352.6679 -109059.1293 299.2955 93.9263 121.2227 762377.2148 4.4824 4.6128 PRESSURE: 3102600 -82.543 -22.8356 -79.3475 -22.8361 119.733 10.3885 -79.3479 10.388 -600.202 GPRESSURE: 3102600 -92.5487 3.56648 -211.097 17.8965 164.574 -55.6267 -77.6575 42.3023 -561.901 PRESSAVG: 3102600 -12.3864 -32.2717 -37.58 -32.2718 6.83721 13.7108 -37.5799 13.7108 -12.296 GPRESSAVG: 3102600 -13.0065 -33.791 -38.7223 -33.1606 5.92433 12.7794 -36.324 15.1651 -10.6932 TIMING: 3102600 CPU: 9798.81, 0.00316672/step Wall: 9798.81, 0.00316672/step, 1.66904 hours remaining, 235.589844 MB of memory in use. ENERGY: 3102600 3967.0614 20528.6386 14442.6461 267.4486 -203467.0986 2752.3171 0.0000 0.0000 52008.4767 -109500.5102 298.8934 -161508.9869 -109143.4194 299.3069 -187.6707 -163.2918 760964.6126 -5.9484 -5.9251 PRESSURE: 3102800 -127.343 -115.762 133.759 -115.763 39.4324 65.4604 133.759 65.4607 89.0487 GPRESSURE: 3102800 -89.8785 -115.244 116.796 -183.623 10.2875 -36.3015 59.9196 21.6741 162.044 PRESSAVG: 3102800 -13.6342 -22.9772 -34.5468 -22.9772 54.7599 -6.82451 -34.5467 -6.82456 -8.97288 GPRESSAVG: 3102800 -13.3743 -24.2993 -32.8974 -19.5939 54.8135 -6.94351 -37.31 -8.05425 -9.6561 TIMING: 3102800 CPU: 9799.45, 0.0031699/step Wall: 9799.45, 0.0031699/step, 1.67054 hours remaining, 235.644531 MB of memory in use. ENERGY: 3102800 3971.2650 20561.6941 14427.9173 254.9233 -203100.2984 2372.5728 0.0000 0.0000 52236.2994 -109275.6264 300.2027 -161511.9258 -108914.6742 299.1957 0.3795 27.4845 762149.5777 10.7176 10.5944 PRESSURE: 3103000 165.509 124.459 177.088 124.46 384.633 37.2576 177.088 37.2575 4.59979 GPRESSURE: 3103000 233.702 121.478 96.2667 26.4158 373.786 74.7392 226.169 44.8794 38.8497 PRESSAVG: 3103000 16.6614 31.0879 -9.08122 31.0879 -35.9935 -4.82531 -9.08118 -4.82531 -11.3031 GPRESSAVG: 3103000 16.5394 34.1578 -9.99022 27.5719 -36.3839 -2.84182 -8.54382 -5.51319 -10.9735 TIMING: 3103000 CPU: 9800.08, 0.00315522/step Wall: 9800.08, 0.00315522/step, 1.66263 hours remaining, 235.644531 MB of memory in use. ENERGY: 3103000 4047.4721 20243.0347 14448.2313 255.1857 -203586.1980 2819.1165 0.0000 0.0000 52344.7295 -109428.4281 300.8259 -161773.1577 -109052.8076 299.5273 184.9141 215.4459 760558.5028 -10.2117 -10.2727 PRESSURE: 3103200 -95.8907 102.552 -295.072 102.552 -286.514 57.2352 -295.072 57.2357 -37.0444 GPRESSURE: 3103200 -71.1932 125.735 -345.737 40.4825 -164.489 -68.1636 -212.152 13.8364 -86.7767 PRESSAVG: 3103200 -29.9043 6.89287 -57.7905 6.89289 9.4279 -54.44 -57.7905 -54.4401 -14.7593 GPRESSAVG: 3103200 -30.0043 4.85391 -58.9241 7.64916 10.7094 -56.1336 -56.2189 -53.3146 -15.2588 TIMING: 3103200 CPU: 9800.7, 0.00313641/step Wall: 9800.7, 0.00313641/step, 1.65254 hours remaining, 235.644531 MB of memory in use. ENERGY: 3103200 3939.6671 20330.6306 14407.1439 238.1830 -203180.4159 2423.0604 0.0000 0.0000 52257.5799 -109584.1511 300.3250 -161841.7310 -109217.0119 299.0667 -139.8164 -107.4863 761156.5961 -11.7452 -11.5179 PRESSURE: 3103400 -294.589 83.8585 -185.509 83.8586 154.542 114.287 -185.51 114.286 -161.996 GPRESSURE: 3103400 -276.996 95.6461 -171.148 149.267 193.017 126.029 -133.685 234.118 -131.74 PRESSAVG: 3103400 -22.4407 67.5374 -23.5299 67.5373 -9.8872 -2.75744 -23.5299 -2.75746 11.0267 GPRESSAVG: 3103400 -22.0932 67.5211 -20.7638 67.4232 -11.2449 -2.43856 -24.4305 -3.2928 12.3782 TIMING: 3103400 CPU: 9801.34, 0.00315709/step Wall: 9801.34, 0.00315709/step, 1.66326 hours remaining, 235.644531 MB of memory in use. ENERGY: 3103400 3951.8699 20234.6789 14421.2287 225.9904 -203436.7024 2428.1139 0.0000 0.0000 52390.2380 -109784.5826 301.0874 -162174.8205 -109417.2622 298.8308 -100.6810 -71.9065 760540.3690 -7.1004 -6.9866 PRESSURE: 3103600 272.996 287.479 87.1769 287.478 -127.968 -117.61 87.1773 -117.611 -2.207 GPRESSURE: 3103600 240.415 277.089 136.959 240.321 -78.8181 -111.859 121.333 -48.5989 63.8652 PRESSAVG: 3103600 -41.7506 -0.919123 0.0744514 -0.919159 11.8518 31.5852 0.0745066 31.5851 10.0942 GPRESSAVG: 3103600 -42.1881 -0.777364 -0.998773 -0.31278 12.0081 30.2928 -0.0806455 30.4351 9.86578 TIMING: 3103600 CPU: 9801.97, 0.00318093/step Wall: 9801.97, 0.00318093/step, 1.67564 hours remaining, 235.644531 MB of memory in use. ENERGY: 3103600 4017.1540 20474.4981 14418.1895 252.1606 -203883.9385 2927.9220 0.0000 0.0000 51951.6017 -109842.4126 298.5666 -161794.0143 -109488.5035 298.4686 47.6071 75.1539 761143.9362 -6.6016 -6.7714 PRESSURE: 3103800 241.672 19.3663 95.0945 19.3655 -56.7374 96.7255 95.0947 96.7255 250.797 GPRESSURE: 3103800 307.099 -2.59065 4.79219 93.2776 -74.1378 82.7597 81.7533 169.176 289.987 PRESSAVG: 3103800 7.17059 29.8972 -4.12669 29.8972 -37.8848 -11.4576 -4.12663 -11.4575 -7.71523 GPRESSAVG: 3103800 8.06471 29.9166 -3.50839 31.6054 -38.974 -10.7949 -3.82212 -9.63599 -8.17241 TIMING: 3103800 CPU: 9802.6, 0.00316408/step Wall: 9802.6, 0.00316408/step, 1.66659 hours remaining, 235.644531 MB of memory in use. ENERGY: 3103800 3996.6910 20597.4971 14413.0214 253.9755 -203903.1460 3089.9057 0.0000 0.0000 51917.3912 -109634.6641 298.3700 -161552.0553 -109288.4814 298.6103 145.2439 174.3159 760598.2145 -12.8098 -13.0272 PRESSURE: 3104000 -136.994 35.954 82.1693 35.9538 144.132 -139.811 82.1704 -139.81 200.218 GPRESSURE: 3104000 -88.7865 23.9388 99.9734 68.7488 132.976 -68.1939 100.088 -61.2237 241.26 PRESSAVG: 3104000 -2.99145 -6.54631 -6.16737 -6.54637 9.88576 -40.1232 -6.16739 -40.1233 13.8292 GPRESSAVG: 3104000 -3.10764 -6.19759 -8.68904 -6.97485 10.5306 -39.9831 -5.28435 -41.8979 13.5004 TIMING: 3104000 CPU: 9803.24, 0.00315797/step Wall: 9803.24, 0.00315797/step, 1.6632 hours remaining, 235.644531 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: 3104000 4026.1509 20371.8597 14484.2400 262.6982 -203957.5771 3017.1817 0.0000 0.0000 52146.6571 -109648.7894 299.6876 -161795.4466 -109293.7162 298.3949 69.1186 95.1497 761716.4960 6.9079 6.9745 PRESSURE: 3104200 -186.623 164.193 128.653 164.193 91.9786 -0.219374 128.653 -0.219017 -286.004 GPRESSURE: 3104200 -22.7056 152.364 43.4053 74.2426 35.2868 6.17645 318.086 -88.7263 -293.988 PRESSAVG: 3104200 0.292817 7.17956 -5.23936 7.1795 8.61851 -63.5122 -5.23936 -63.5122 0.302612 GPRESSAVG: 3104200 0.608973 9.61202 -5.86755 4.56263 7.59634 -62.7828 -5.49368 -62.6486 0.55957 TIMING: 3104200 CPU: 9803.86, 0.00312664/step Wall: 9803.86, 0.00312664/step, 1.64652 hours remaining, 235.644531 MB of memory in use. ENERGY: 3104200 4080.3726 20504.2785 14408.5363 229.9780 -203319.9352 2737.8120 0.0000 0.0000 51789.8949 -109569.0630 297.6372 -161358.9579 -109214.2991 298.8102 -126.8828 -93.8023 762184.9968 3.0713 2.9216 LDB: ============= START OF LOAD BALANCING ============== 9816.39 LDB: ============== END OF LOAD BALANCING =============== 9816.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9816.4 LDB: ============= START OF LOAD BALANCING ============== 9816.71 LDB: Largest compute 7075 load 0.034250 is 17.5% of average load 0.195634 LDB: Average compute 0.004399 is 2.2% of average load 0.195634 LDB: TIME 9816.72 LOAD: AVG 0.195634 MAX 0.214181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.426 MB LDB: TIME 9816.72 LOAD: AVG 0.195634 MAX 0.214181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: TIME 9816.72 LOAD: AVG 0.195634 MAX 0.214181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: ============== END OF LOAD BALANCING =============== 9816.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9816.72 PRESSURE: 3104400 82.9252 -202.068 -278.107 -202.068 20.6644 -7.2116 -278.106 -7.21218 -104.364 GPRESSURE: 3104400 82.6396 -254.029 -212.519 -237.263 24.4916 -9.61275 -365.223 46.4431 -34.3408 PRESSAVG: 3104400 5.31989 -39.2661 13.5215 -39.2661 -33.8342 -9.06065 13.5215 -9.06065 2.08342 GPRESSAVG: 3104400 4.66728 -42.7538 14.9255 -36.9817 -31.9503 -10.8314 13.1958 -8.57538 1.12774 TIMING: 3104400 CPU: 9804.51, 0.00322558/step Wall: 9804.51, 0.00322558/step, 1.69845 hours remaining, 235.031250 MB of memory in use. ENERGY: 3104400 3977.0633 20504.2486 14431.0177 245.7488 -203159.1249 2681.8273 0.0000 0.0000 51850.6797 -109468.5395 297.9866 -161319.2192 -109114.8306 298.7308 -0.2580 24.2635 763220.3929 -8.8103 -8.7184 PRESSURE: 3104600 205.055 8.9949 234.844 8.99498 120.133 38.3459 234.844 38.3465 93.4792 GPRESSURE: 3104600 290.38 49.7123 90.932 -75.7376 72.1832 92.8671 222.274 -68.0353 163.504 PRESSAVG: 3104600 -60.8485 -21.5877 4.60152 -21.5877 19.0133 -16.2136 4.60161 -16.2136 26.2855 GPRESSAVG: 3104600 -61.9467 -20.5914 5.38029 -21.9965 19.0337 -17.2462 3.54957 -16.2634 27.0758 TIMING: 3104600 CPU: 9805.14, 0.00317217/step Wall: 9805.14, 0.00317217/step, 1.67015 hours remaining, 235.140625 MB of memory in use. ENERGY: 3104600 3909.9394 20406.9386 14431.6224 218.4196 -203523.2373 2946.5966 0.0000 0.0000 51985.4522 -109624.2686 298.7611 -161609.7207 -109259.0959 298.8982 139.5560 175.3557 761887.6628 -5.1832 -5.2791 PRESSURE: 3104800 -322.106 -74.9427 109.668 -74.9434 5.95529 -110.725 109.667 -110.725 268.909 GPRESSURE: 3104800 -226.516 -153.63 53.7085 -63.4466 1.71063 -90.2599 7.98157 -96.7028 257.7 PRESSAVG: 3104800 63.6432 -44.5163 -28.6489 -44.5162 -3.56408 -0.2558 -28.6489 -0.255718 15.8293 GPRESSAVG: 3104800 64.1015 -46.9139 -29.9035 -44.0374 -3.87149 1.24413 -27.9872 -0.286749 15.6349 TIMING: 3104800 CPU: 9805.78, 0.00318778/step Wall: 9805.78, 0.00318778/step, 1.67819 hours remaining, 235.140625 MB of memory in use. ENERGY: 3104800 4005.2814 20312.6791 14471.0371 252.0729 -202919.5118 2332.6439 0.0000 0.0000 51955.1309 -109590.6664 298.5869 -161545.7973 -109227.0374 298.6997 -15.7473 10.9648 762099.0292 25.3028 25.2883 PRESSURE: 3105000 261.272 -6.75136 -68.4948 -6.75138 62.3755 -58.8216 -68.4945 -58.8222 47.1231 GPRESSURE: 3105000 225.996 -14.6982 -131.573 -64.791 141.185 -39.6716 -110.077 -71.8512 102.625 PRESSAVG: 3105000 31.1317 6.32211 -18.615 6.32211 -59.7661 11.7512 -18.615 11.7512 23.8651 GPRESSAVG: 3105000 32.0398 8.93138 -18.5703 4.42208 -59.9109 12.4985 -20.1216 9.41067 22.5608 TIMING: 3105000 CPU: 9806.41, 0.00316112/step Wall: 9806.41, 0.00316112/step, 1.66398 hours remaining, 235.140625 MB of memory in use. ENERGY: 3105000 3951.6953 20462.2377 14481.3456 261.8990 -203277.8379 2689.1430 0.0000 0.0000 52107.8505 -109323.6668 299.4645 -161431.5173 -108968.2860 299.0630 123.5902 156.6020 761619.2075 -1.5898 -1.7701 PRESSURE: 3105200 -72.3482 8.14671 -159.784 8.14659 304.088 93.5777 -159.784 93.5776 4.04453 GPRESSURE: 3105200 20.0476 -2.1118 -160.109 -2.83567 319.608 32.1706 -70.2245 156.009 -17.8026 PRESSAVG: 3105200 46.6482 -6.82459 -22.9842 -6.82458 -49.7373 29.4997 -22.9843 29.4998 34.4051 GPRESSAVG: 3105200 45.4137 -7.17812 -22.2508 -7.03428 -49.889 29.0831 -21.9052 28.9725 36.1639 TIMING: 3105200 CPU: 9807.04, 0.00315539/step Wall: 9807.04, 0.00315539/step, 1.66079 hours remaining, 235.140625 MB of memory in use. ENERGY: 3105200 3971.4365 20474.8937 14460.6420 250.3721 -203267.3644 2964.2285 0.0000 0.0000 51859.7995 -109285.9922 298.0390 -161145.7917 -108930.3917 299.1901 78.5948 107.2844 762124.1320 10.4387 10.5629 PRESSURE: 3105400 -94.9762 3.42749 -183.018 3.42793 125.729 -506.937 -183.017 -506.938 -314.654 GPRESSURE: 3105400 5.8145 -58.1642 -203.327 43.2495 105.85 -474.446 -235.276 -347.498 -328.88 PRESSAVG: 3105400 1.15548 11.1183 -38.7269 11.1184 5.96322 36.4004 -38.727 36.4002 -8.7262 GPRESSAVG: 3105400 2.02248 11.5588 -38.4135 10.6752 6.37301 36.2611 -37.3501 36.7995 -9.9896 TIMING: 3105400 CPU: 9807.67, 0.00314948/step Wall: 9807.67, 0.00314948/step, 1.6575 hours remaining, 235.140625 MB of memory in use. ENERGY: 3105400 3950.0652 20538.8525 14462.0756 240.7936 -203210.4162 2556.5585 0.0000 0.0000 52223.4541 -109238.6168 300.1289 -161462.0709 -108877.4508 299.1389 -94.6337 -72.4054 763163.2033 -0.5358 -0.5314 PRESSURE: 3105600 80.4618 251.623 120.676 251.623 -238.401 -39.1667 120.676 -39.1668 -35.1099 GPRESSURE: 3105600 69.0245 195.394 127.58 263.888 -210.186 -51.9184 159.829 85.362 15.0792 PRESSAVG: 3105600 -4.5277 -21.8339 -95.9517 -21.8339 51.8873 -47.398 -95.9517 -47.3981 0.256301 GPRESSAVG: 3105600 -5.20051 -22.6614 -95.9649 -20.1927 51.9788 -48.0588 -96.986 -43.2953 0.821998 TIMING: 3105600 CPU: 9808.3, 0.00314788/step Wall: 9808.3, 0.00314788/step, 1.65649 hours remaining, 235.140625 MB of memory in use. ENERGY: 3105600 3886.7511 20569.4834 14521.4187 245.0955 -202927.1525 2476.4279 0.0000 0.0000 52009.8141 -109218.1618 298.9011 -161227.9759 -108848.2264 299.3317 -64.3496 -42.0275 763275.0299 15.8720 15.8668 PRESSURE: 3105800 265.585 132.018 -129.44 132.018 -332.787 -71.9166 -129.44 -71.9156 26.9333 GPRESSURE: 3105800 254.173 91.6234 -140.045 116.418 -205.415 -64.401 -111.2 -46.771 -0.0652503 PRESSAVG: 3105800 31.9281 -37.4631 -37.9147 -37.4631 -48.6484 -8.65083 -37.9147 -8.65083 13.9436 GPRESSAVG: 3105800 31.9034 -37.3142 -36.7184 -38.4788 -48.9167 -7.9989 -38.8328 -9.93484 13.898 TIMING: 3105800 CPU: 9808.93, 0.00316373/step Wall: 9808.93, 0.00316373/step, 1.66465 hours remaining, 235.140625 MB of memory in use. ENERGY: 3105800 4092.8997 20485.5017 14478.1864 243.4850 -203292.1181 2771.8560 0.0000 0.0000 51970.8119 -109249.3773 298.6770 -161220.1892 -108891.3207 299.3776 -13.4230 16.2310 764106.5095 -0.9256 -1.0384 PRESSURE: 3106000 -56.6719 -183.03 119.112 -183.03 -136.691 25.8005 119.112 25.8012 -93.9147 GPRESSURE: 3106000 15.121 4.93088 119.63 -140.088 -110.998 39.0445 115.339 -43.9787 -118.038 PRESSAVG: 3106000 -40.7365 -8.6577 -47.7983 -8.65775 -13.2151 1.60423 -47.7983 1.60434 6.26769 GPRESSAVG: 3106000 -40.3504 -6.84425 -50.2636 -10.1024 -12.5482 1.57495 -47.9705 1.52283 5.6055 TIMING: 3106000 CPU: 9809.57, 0.00315575/step Wall: 9809.57, 0.00315575/step, 1.66028 hours remaining, 235.140625 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: 3106000 4011.4845 20524.7180 14456.2251 235.1604 -203011.4608 2488.4575 0.0000 0.0000 52092.0653 -109203.3500 299.3738 -161295.4153 -108837.5848 298.9819 -95.7591 -71.3050 764400.7542 -15.8946 -15.7644 PRESSURE: 3106200 -94.5059 116.329 -12.821 116.329 292.562 -87.1496 -12.8211 -87.1496 114.181 GPRESSURE: 3106200 102.961 149.356 -132.939 133.29 199.737 -64.7224 33.5144 -76.4195 100.779 PRESSAVG: 3106200 14.6879 62.604 -38.8389 62.604 -39.3249 -77.7374 -38.839 -77.7375 -4.48728 GPRESSAVG: 3106200 15.3752 61.1402 -37.9288 64.5932 -40.4677 -78.0571 -36.9823 -79.0134 -4.04791 TIMING: 3106200 CPU: 9810.2, 0.00315068/step Wall: 9810.2, 0.00315068/step, 1.65743 hours remaining, 235.140625 MB of memory in use. ENERGY: 3106200 3964.1844 20362.6220 14472.6702 239.0635 -203138.2418 2718.5848 0.0000 0.0000 52128.5670 -109252.5498 299.5836 -161381.1168 -108892.6459 299.3265 104.0791 134.4922 762648.5493 -9.7081 -9.7134 PRESSURE: 3106400 225.858 -220.007 -16.0008 -220.006 -130.276 -166.488 -16.0007 -166.488 -10.7888 GPRESSURE: 3106400 303.21 -215.237 -84.4136 -47.6591 -148.858 -214.237 -34.7817 -119.91 21.0946 PRESSAVG: 3106400 25.1188 1.85846 13.5014 1.85842 -50.5247 -64.1953 13.5014 -64.1953 -13.1326 GPRESSAVG: 3106400 24.8309 2.21804 13.1102 3.61305 -50.6204 -64.3515 11.8745 -64.4289 -12.7254 TIMING: 3106400 CPU: 9810.83, 0.00315301/step Wall: 9810.83, 0.00315301/step, 1.65849 hours remaining, 235.140625 MB of memory in use. ENERGY: 3106400 4035.9441 20372.0527 14433.2352 240.8080 -202879.5983 2564.9679 0.0000 0.0000 51880.0074 -109352.5829 298.1551 -161232.5904 -108985.3212 299.1943 28.2644 58.4820 763751.4024 -12.8462 -12.8383 PRESSURE: 3106600 -193.896 55.2368 42.5115 55.2372 -519.649 130.507 42.5109 130.506 -346.871 GPRESSURE: 3106600 -174.317 -131.336 176.467 -70.4733 -451.298 151.756 -31.8682 144.668 -343.282 PRESSAVG: 3106600 -11.371 -26.9881 -46.1739 -26.9881 54.7479 -49.2024 -46.1739 -49.2025 -22.4049 GPRESSAVG: 3106600 -11.8549 -28.6675 -43.3842 -26.0472 55.2443 -48.8053 -46.1638 -47.8697 -22.1998 TIMING: 3106600 CPU: 9811.46, 0.0031476/step Wall: 9811.46, 0.0031476/step, 1.65546 hours remaining, 235.140625 MB of memory in use. ENERGY: 3106600 3997.5335 20605.0849 14461.6887 228.1804 -203174.1359 2378.8173 0.0000 0.0000 52104.5248 -109398.3063 299.4454 -161502.8310 -109037.5594 299.2891 -353.4723 -322.9655 761669.4097 6.9907 7.0632 PRESSURE: 3106800 76.5754 -166.016 177.043 -166.016 3.49142 53.7113 177.043 53.7119 -182.749 GPRESSURE: 3106800 111.311 -184.182 135.989 -159.305 19.667 48.8287 157.618 -25.6089 -161.551 PRESSAVG: 3106800 -26.333 -44.2834 16.1916 -44.2834 63.9567 -21.8663 16.1915 -21.8663 1.82203 GPRESSAVG: 3106800 -25.3746 -42.2117 13.369 -47.0308 63.0278 -21.4668 17.6899 -22.4751 1.59997 TIMING: 3106800 CPU: 9812.09, 0.00317192/step Wall: 9812.09, 0.00317192/step, 1.66808 hours remaining, 235.140625 MB of memory in use. ENERGY: 3106800 3983.9129 20507.3734 14415.2754 244.7250 -203058.6953 2478.1685 0.0000 0.0000 52005.2268 -109424.0134 298.8748 -161429.2401 -109053.7410 299.2523 -34.2273 -10.1909 761074.0590 13.1486 13.0844 PRESSURE: 3107000 -265.118 100.57 -162.9 100.571 -349.998 -67.0544 -162.9 -67.0551 194.206 GPRESSURE: 3107000 -300.256 155.827 -188.867 158.276 -265.236 -42.4935 -104.281 35.627 202 PRESSAVG: 3107000 -23.8609 -8.18154 -42.9178 -8.18152 -22.3141 -10.9925 -42.9178 -10.9925 11.9738 GPRESSAVG: 3107000 -25.298 -11.0524 -42.1637 -6.19546 -21.8828 -9.7795 -46.0137 -11.5037 12.6392 TIMING: 3107000 CPU: 9812.73, 0.0031782/step Wall: 9812.73, 0.0031782/step, 1.6712 hours remaining, 235.140625 MB of memory in use. ENERGY: 3107000 3993.0611 20614.4328 14392.3063 239.8695 -202916.9034 2375.5171 0.0000 0.0000 51892.6635 -109409.0530 298.2279 -161301.7165 -109044.6564 298.6158 -140.3034 -121.1641 763218.4404 -11.4004 -11.5139 PRESSURE: 3107200 23.4563 50.3104 11.6595 50.3102 -93.993 -166.045 11.6596 -166.046 -473.359 GPRESSURE: 3107200 67.1558 113.03 46.1063 108.36 -57.7089 -154.902 107.744 -140.932 -468.984 PRESSAVG: 3107200 -84.378 -24.5932 32.2312 -24.5932 69.7251 5.89786 32.2311 5.89789 6.13521 GPRESSAVG: 3107200 -82.4932 -22.8624 31.2701 -25.7991 69.2107 4.13634 34.0346 8.05271 4.44286 TIMING: 3107200 CPU: 9813.36, 0.00317392/step Wall: 9813.36, 0.00317392/step, 1.66878 hours remaining, 235.140625 MB of memory in use. ENERGY: 3107200 3918.8398 20566.7692 14385.9533 237.8390 -203220.0155 2560.4686 0.0000 0.0000 52077.1175 -109473.0281 299.2879 -161550.1455 -109112.3342 298.8020 -181.2985 -153.1789 763324.4520 -2.8392 -2.9465 PRESSURE: 3107400 -353.778 -283.599 -43.5202 -283.599 116.19 -6.0311 -43.5206 -6.03139 -262.089 GPRESSURE: 3107400 -259.704 -318.099 11.7403 -184.981 129.325 28.6462 -161.199 24.493 -278.721 PRESSAVG: 3107400 -51.1806 -55.3428 -83.0705 -55.3428 1.34509 -41.6518 -83.0705 -41.6519 -4.66265 GPRESSAVG: 3107400 -51.8409 -54.6666 -80.704 -53.9821 1.98618 -41.7036 -84.6696 -43.5102 -4.61905 TIMING: 3107400 CPU: 9813.99, 0.00317237/step Wall: 9813.99, 0.00317236/step, 1.66778 hours remaining, 235.140625 MB of memory in use. ENERGY: 3107400 3999.9880 20508.7926 14452.0687 243.2290 -203031.7135 2441.3906 0.0000 0.0000 51904.3369 -109481.9077 298.2949 -161386.2446 -109123.6422 299.0027 -166.5592 -136.3668 762572.0474 -18.1661 -18.1579 PRESSURE: 3107600 50.2328 33.1515 -151.375 33.1517 -252.517 -17.5321 -151.375 -17.532 -395.822 GPRESSURE: 3107600 104.077 -84.951 -44.9652 69.6453 -163.189 37.9036 -81.8682 87.9979 -471.952 PRESSAVG: 3107600 4.14414 -9.48002 10.8668 -9.47999 0.421626 16.2649 10.8668 16.2649 -8.6619 GPRESSAVG: 3107600 3.21741 -9.75976 8.01582 -10.771 1.03244 16.4432 13.6765 17.152 -8.92439 TIMING: 3107600 CPU: 9814.63, 0.00315647/step Wall: 9814.63, 0.00315647/step, 1.65925 hours remaining, 235.140625 MB of memory in use. ENERGY: 3107600 4023.9875 20582.1300 14426.9708 257.3906 -202740.1188 2211.6329 0.0000 0.0000 51838.1914 -109399.8157 297.9148 -161238.0070 -109034.6100 299.1911 -199.3686 -177.0213 761080.4972 -1.3654 -1.5582 PRESSURE: 3107800 83.9066 -2.98884 178.616 -2.98876 97.8568 5.61447 178.617 5.61471 -76.3063 GPRESSURE: 3107800 199.684 -1.86916 184.962 -51.0538 55.8352 30.2801 160.636 -26.8154 -68.9165 PRESSAVG: 3107800 -11.4741 17.9341 -30.9921 17.9341 -10.6475 -4.56736 -30.992 -4.56735 5.68962 GPRESSAVG: 3107800 -8.8172 17.3601 -30.675 18.6441 -12.5733 -3.95309 -32.4276 -4.2725 4.55334 TIMING: 3107800 CPU: 9815.26, 0.003149/step Wall: 9815.26, 0.003149/step, 1.65515 hours remaining, 235.140625 MB of memory in use. ENERGY: 3107800 4035.7669 20488.9732 14395.6376 255.8707 -203037.2961 2497.1142 0.0000 0.0000 52043.2805 -109320.6530 299.0934 -161363.9335 -108965.9105 299.5070 35.1524 62.2008 760688.8585 -5.4773 -5.6124 PRESSURE: 3108000 24.0318 182.306 378.216 182.306 -8.27959 29.453 378.216 29.4529 -87.567 GPRESSURE: 3108000 119.775 226.557 419.761 279.53 -53.1107 -6.25284 272.009 131.311 -39.9465 PRESSAVG: 3108000 31.7013 25.911 -4.33139 25.911 -29.5059 16.1897 -4.33135 16.1897 18.4356 GPRESSAVG: 3108000 31.8062 28.0785 -2.69375 24.9696 -31.0223 17.0531 -5.70087 14.0353 19.8203 TIMING: 3108000 CPU: 9815.89, 0.00315031/step Wall: 9815.89, 0.00315031/step, 1.65566 hours remaining, 235.140625 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: 3108000 3986.1912 20677.7296 14477.5984 261.6879 -203306.8452 2577.6833 0.0000 0.0000 52115.8235 -109210.1313 299.5104 -161325.9548 -108860.5054 299.3897 -23.9383 8.9060 762113.3336 6.8770 6.8681 PRESSURE: 3108200 -46.0223 -9.27509 34.2689 -9.27431 -265.542 2.77242 34.2689 2.77218 -752.935 GPRESSURE: 3108200 -5.03498 -192.88 56.3765 10.6118 -271.699 -87.0086 12.2794 -19.2246 -698.857 PRESSAVG: 3108200 17.5756 7.01642 12.2035 7.01646 -33.8902 -12.7738 12.2035 -12.774 -12.052 GPRESSAVG: 3108200 15.4855 4.76308 11.7439 7.77493 -32.8573 -14.2936 12.5764 -11.0844 -11.4759 TIMING: 3108200 CPU: 9816.52, 0.00315046/step Wall: 9816.52, 0.00315046/step, 1.65557 hours remaining, 235.140625 MB of memory in use. ENERGY: 3108200 4066.9440 20630.8762 14453.0822 301.7782 -203874.9132 2923.8318 0.0000 0.0000 52308.0609 -109190.3399 300.6151 -161498.4007 -108815.3910 299.9408 -354.8331 -325.1970 760721.2579 -9.4555 -9.6159 LDB: ============= START OF LOAD BALANCING ============== 9829.05 LDB: ============== END OF LOAD BALANCING =============== 9829.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9829.05 LDB: ============= START OF LOAD BALANCING ============== 9829.37 LDB: Largest compute 7075 load 0.032427 is 16.6% of average load 0.195661 LDB: Average compute 0.004386 is 2.2% of average load 0.195661 LDB: TIME 9829.37 LOAD: AVG 0.195661 MAX 0.217421 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.359 MB LDB: TIME 9829.37 LOAD: AVG 0.195661 MAX 0.217421 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: TIME 9829.37 LOAD: AVG 0.195661 MAX 0.217421 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: ============== END OF LOAD BALANCING =============== 9829.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9829.38 PRESSURE: 3108400 -97.3038 78.6216 -80.4746 78.6218 9.70723 7.48666 -80.4745 7.48632 71.6669 GPRESSURE: 3108400 -109.899 73.9409 -39.5841 123.751 80.7935 -55.6368 -169.965 55.8657 86.6551 PRESSAVG: 3108400 17.7716 65.8991 31.063 65.8991 -5.82971 -7.88957 31.063 -7.88949 -21.1147 GPRESSAVG: 3108400 18.4455 66.4705 30.4068 65.0267 -5.16862 -8.3559 31.5634 -6.97444 -22.8823 TIMING: 3108400 CPU: 9817.16, 0.0032211/step Wall: 9817.16, 0.0032211/step, 1.69251 hours remaining, 235.007812 MB of memory in use. ENERGY: 3108400 3944.5766 20623.3709 14436.4278 263.1089 -203170.7917 2353.3915 0.0000 0.0000 52191.2642 -109358.6518 299.9439 -161549.9160 -108994.8732 299.5130 -5.3099 19.1833 761560.5463 -3.0576 -3.2018 PRESSURE: 3108600 -390.568 -147.263 183.894 -147.264 -93.7545 -165.515 183.894 -165.515 -6.3825 GPRESSURE: 3108600 -164.811 -136.165 259.953 -125.714 -185.103 -108.778 167.214 -209.023 -51.8068 PRESSAVG: 3108600 9.47634 4.70822 26.3641 4.70822 2.26886 23.4953 26.364 23.4953 24.1153 GPRESSAVG: 3108600 10.5566 5.39745 27.433 3.76334 0.749033 23.5395 24.3383 22.0079 24.5605 TIMING: 3108600 CPU: 9817.79, 0.00315062/step Wall: 9817.79, 0.00315062/step, 1.6553 hours remaining, 235.132812 MB of memory in use. ENERGY: 3108600 4049.2226 20793.2064 14407.3592 251.9967 -203190.1945 2299.5419 0.0000 0.0000 51954.1507 -109434.7171 298.5812 -161388.8678 -109085.1554 299.2551 -163.5684 -133.9069 761056.4775 11.9535 11.9554 PRESSURE: 3108800 -154.232 -42.6987 18.5491 -42.6988 -70.2308 -99.5734 18.5497 -99.5741 177.062 GPRESSURE: 3108800 -251.148 8.12573 61.7734 -5.8219 48.5654 -93.0229 6.83317 -70.6256 247.042 PRESSAVG: 3108800 -5.39998 8.90251 6.99886 8.90247 28.5186 20.255 6.9989 20.2551 0.0397432 GPRESSAVG: 3108800 -7.34089 7.42799 7.73707 10.7439 29.4755 21.686 8.72177 20.1833 0.963786 TIMING: 3108800 CPU: 9818.43, 0.00318517/step Wall: 9818.43, 0.00318517/step, 1.67328 hours remaining, 235.132812 MB of memory in use. ENERGY: 3108800 3992.7200 20579.0217 14514.9169 243.3558 -203208.2721 2697.3370 0.0000 0.0000 51921.4956 -109259.4252 298.3935 -161180.9208 -108899.8076 300.1097 -15.8004 14.8197 762888.6566 7.7195 7.6995 PRESSURE: 3109000 -44.9124 -140.767 -74.1594 -140.767 -27.7944 -6.21859 -74.1595 -6.21765 -90.695 GPRESSURE: 3109000 -11.4873 -90.7645 -132.961 -134.243 -12.9842 -101.255 -120.288 34.2729 -66.0284 PRESSAVG: 3109000 -37.097 34.5972 1.34795 34.5972 55.913 -16.6895 1.34807 -16.6895 -3.13572 GPRESSAVG: 3109000 -36.4355 36.1499 0.295363 33.3306 56.8994 -18.459 2.20608 -16.1354 -5.30819 TIMING: 3109000 CPU: 9819.06, 0.00317256/step Wall: 9819.06, 0.00317256/step, 1.66647 hours remaining, 235.132812 MB of memory in use. ENERGY: 3109000 4001.3468 20633.7953 14433.3834 251.8374 -202679.5830 2350.4211 0.0000 0.0000 51993.2953 -109015.5036 298.8062 -161008.7990 -108647.8809 299.7787 -54.4672 -30.1666 762099.0606 5.2267 5.0519 PRESSURE: 3109200 107.108 37.1544 309.705 37.1545 50.1291 -49.8119 309.705 -49.8115 429.121 GPRESSURE: 3109200 244.998 -50.8764 300.974 16.1114 -31.1697 -45.3026 206.109 -88.2995 459.599 PRESSAVG: 3109200 33.6271 0.22818 7.45228 0.228156 -20.4287 16.6484 7.45224 16.6484 -20.3914 GPRESSAVG: 3109200 34.2131 -1.97462 7.32904 1.27493 -21.7761 18.4359 7.61214 15.1983 -19.1435 TIMING: 3109200 CPU: 9819.69, 0.00314906/step Wall: 9819.69, 0.00314906/step, 1.65396 hours remaining, 235.132812 MB of memory in use. ENERGY: 3109200 4043.2875 20516.6968 14372.5960 241.7313 -202953.3619 2748.2351 0.0000 0.0000 52088.5648 -108942.2505 299.3537 -161030.8153 -108587.1037 299.8706 195.4529 224.4756 764209.2502 -2.3977 -2.2355 PRESSURE: 3109400 285.04 -136.837 -95.3831 -136.837 304.968 127.253 -95.3836 127.253 224.665 GPRESSURE: 3109400 312.914 -88.318 -194.517 -190.208 342.955 58.0982 22.1161 215.474 249.101 PRESSAVG: 3109400 45.8521 -16.6919 -8.678 -16.6919 -71.8736 -48.8019 -8.6779 -48.8019 0.531838 GPRESSAVG: 3109400 45.9553 -14.7393 -9.17611 -16.7722 -70.7395 -51.9532 -10.8991 -47.1806 -0.624582 TIMING: 3109400 CPU: 9820.32, 0.00314337/step Wall: 9820.32, 0.00314337/step, 1.6508 hours remaining, 235.132812 MB of memory in use. ENERGY: 3109400 4070.2817 20540.4964 14425.7075 249.5757 -203469.9928 2920.8055 0.0000 0.0000 52442.8462 -108820.2798 301.3898 -161263.1261 -108454.7813 300.5949 271.5577 301.6568 761828.0564 -8.4965 -8.4696 PRESSURE: 3109600 -325.338 197.485 -37.7977 197.485 169.324 -45.6842 -37.797 -45.6844 -6.42008 GPRESSURE: 3109600 -281.667 40.5511 -173.479 194.553 197.916 -68.9107 -22.6965 -188.544 9.04111 PRESSAVG: 3109600 62.3474 -36.4419 -67.2953 -36.4419 -52.7919 36.9942 -67.2953 36.9943 3.61829 GPRESSAVG: 3109600 61.6153 -36.7832 -67.193 -37.323 -53.7683 39.5004 -65.7152 36.04 4.7594 TIMING: 3109600 CPU: 9820.95, 0.00317084/step Wall: 9820.95, 0.00317084/step, 1.66504 hours remaining, 235.132812 MB of memory in use. ENERGY: 3109600 3908.5001 20607.5004 14482.1498 244.0411 -203043.0233 2574.2397 0.0000 0.0000 52115.9259 -109110.6662 299.5109 -161226.5921 -108734.7175 300.1221 -54.1446 -24.9032 762227.5983 4.3913 4.2021 PRESSURE: 3109800 341.685 -129.256 134.917 -129.256 282.339 129.597 134.917 129.596 61.9293 GPRESSURE: 3109800 326.461 -215.938 103.487 -29.3303 340.185 43.4271 -13.3989 78.4791 91.9607 PRESSAVG: 3109800 43.1936 8.72667 20.6328 8.72669 -48.9684 34.1648 20.6328 34.1647 -26.5787 GPRESSAVG: 3109800 42.9796 5.82369 21.224 9.62562 -47.9849 33.3171 19.6329 34.6619 -27.071 TIMING: 3109800 CPU: 9821.59, 0.00317079/step Wall: 9821.59, 0.00317079/step, 1.66484 hours remaining, 235.132812 MB of memory in use. ENERGY: 3109800 4015.7971 20546.7596 14437.4222 256.1542 -203296.1687 2720.2904 0.0000 0.0000 51958.4456 -109361.2995 298.6059 -161319.7451 -108997.4425 299.3329 228.6510 252.8691 762228.8432 -10.7845 -10.6921 PRESSURE: 3110000 60.5321 -4.81597 -115.779 -4.81477 -145.355 -7.39322 -115.779 -7.39397 -320.387 GPRESSURE: 3110000 119.806 -19.1818 -181.856 85.1404 -128.299 82.7585 5.26946 -114.965 -301.088 PRESSAVG: 3110000 -1.16064 -8.89904 -51.073 -8.89902 -11.0584 -59.2473 -51.073 -59.2473 -16.5217 GPRESSAVG: 3110000 -2.25185 -4.89219 -51.615 -8.06785 -10.7849 -58.202 -48.4262 -60.0216 -15.6779 TIMING: 3110000 CPU: 9822.22, 0.00317087/step Wall: 9822.22, 0.00317087/step, 1.66471 hours remaining, 235.132812 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: 3110000 3970.6314 20500.2066 14483.2443 266.1297 -202843.2326 2336.5455 0.0000 0.0000 52061.5312 -109224.9439 299.1983 -161286.4751 -108854.5009 299.4935 -135.0700 -103.1938 760932.6895 -9.5802 -9.5715 PRESSURE: 3110200 -75.3527 153.779 32.5252 153.779 -303.095 -208.091 32.5243 -208.091 -72.9586 GPRESSURE: 3110200 -71.2181 138.305 122.903 -33.4279 -219.685 -126.785 80.8717 -204.396 -75.2889 PRESSAVG: 3110200 18.3484 -2.32652 -30.2295 -2.3265 -24.6342 29.5247 -30.2294 29.5247 29.9526 GPRESSAVG: 3110200 19.8587 -2.40952 -29.734 -3.52245 -25.7201 29.601 -31.8269 30.278 29.5618 TIMING: 3110200 CPU: 9822.86, 0.00316112/step Wall: 9822.86, 0.00316112/step, 1.65941 hours remaining, 235.132812 MB of memory in use. ENERGY: 3110200 4034.3219 20686.0784 14397.9142 251.7359 -203512.6691 2540.7961 0.0000 0.0000 52357.0097 -109244.8131 300.8965 -161601.8227 -108885.4948 300.1133 -150.4688 -122.0640 760986.9766 7.8890 7.9001 PRESSURE: 3110400 261.156 106.344 163.134 106.346 102.171 -67.3843 163.134 -67.3843 -50.6218 GPRESSURE: 3110400 274.273 166.852 174.741 39.6512 60.601 -68.3552 34.4161 -20.1531 60.6962 PRESSAVG: 3110400 -25.8911 44.6053 -12.9573 44.6053 1.66143 -8.61114 -12.9573 -8.61103 2.59937 GPRESSAVG: 3110400 -25.4193 43.589 -13.216 46.1175 0.97817 -8.90641 -12.586 -9.80394 3.07527 TIMING: 3110400 CPU: 9823.49, 0.00315777/step Wall: 9823.49, 0.00315777/step, 1.65748 hours remaining, 235.132812 MB of memory in use. ENERGY: 3110400 4030.0858 20513.1394 14369.0125 224.5442 -203563.8539 3004.6150 0.0000 0.0000 52303.5334 -109118.9237 300.5891 -161422.4570 -108753.7982 300.0321 104.2349 131.8569 760192.3308 -7.2101 -7.1220 PRESSURE: 3110600 187.222 94.2073 62.2576 94.2077 -47.8284 120.635 62.258 120.636 128.528 GPRESSURE: 3110600 225.784 31.5886 19.9626 156.343 -31.1805 100.75 41.4998 57.082 149.977 PRESSAVG: 3110600 -9.13282 24.2946 -2.23077 24.2946 -6.7199 16.8791 -2.23082 16.8792 -0.562066 GPRESSAVG: 3110600 -10.0417 23.3245 -1.74445 25.6762 -5.51037 16.004 -1.32691 19.0164 -0.817771 TIMING: 3110600 CPU: 9824.12, 0.00318455/step Wall: 9824.12, 0.00318455/step, 1.67136 hours remaining, 235.132812 MB of memory in use. ENERGY: 3110600 3971.7044 20477.3874 14459.3232 237.2896 -202830.8078 2637.6651 0.0000 0.0000 52080.1524 -108967.2857 299.3054 -161047.4380 -108617.1669 300.4891 89.3073 114.8603 761579.1585 -5.4716 -5.4566 PRESSURE: 3110800 98.8347 40.4345 28.171 40.4332 147.162 -71.9997 28.1707 -72.0004 83.9613 GPRESSURE: 3110800 120.159 25.2209 50.8181 15.7603 213.291 -14.5075 78.7054 -63.7792 89.1951 PRESSAVG: 3110800 -11.5598 -7.73633 -8.0268 -7.73633 27.8146 -10.7359 -8.02681 -10.736 -23.4702 GPRESSAVG: 3110800 -12.6519 -7.82387 -8.80575 -10.0562 28.6137 -9.64926 -8.27573 -12.4931 -23.7767 TIMING: 3110800 CPU: 9824.76, 0.00316842/step Wall: 9824.76, 0.00316842/step, 1.66272 hours remaining, 235.132812 MB of memory in use. ENERGY: 3110800 3910.3467 20385.5573 14449.9403 239.6823 -202895.2249 2619.9091 0.0000 0.0000 52358.1776 -108931.6117 300.9032 -161289.7893 -108576.8356 300.2787 109.9859 140.8817 762128.2315 -2.4051 -2.6050 PRESSURE: 3111000 -35.4395 129.364 -146.824 129.364 204.351 127.49 -146.824 127.49 122.636 GPRESSURE: 3111000 -5.11398 30.9501 -163.315 109.063 245.008 116.739 -62.4218 138.131 138.546 PRESSAVG: 3111000 -22.8964 4.20429 11.287 4.20438 69.549 7.2221 11.287 7.22205 11.5717 GPRESSAVG: 3111000 -21.6569 5.95731 13.0312 5.26961 67.7403 4.72666 8.97296 8.25545 12.2822 TIMING: 3111000 CPU: 9825.39, 0.00315227/step Wall: 9825.39, 0.00315227/step, 1.65406 hours remaining, 235.132812 MB of memory in use. ENERGY: 3111000 3986.4442 20374.1798 14426.8281 226.2956 -203092.6850 2910.6948 0.0000 0.0000 52274.5278 -108893.7147 300.4224 -161168.2425 -108518.6294 300.2760 97.1823 126.1466 762400.4163 19.4081 19.4552 PRESSURE: 3111200 -36.4173 -114.919 -153.364 -114.919 -156.243 -131.726 -153.365 -131.727 -412.703 GPRESSURE: 3111200 -52.4591 70.6878 -145.13 -38.9402 -222.404 -34.4049 -61.4814 -22.2824 -255.866 PRESSAVG: 3111200 -91.3873 22.9277 -48.8413 22.9277 63.7422 -1.85161 -48.8414 -1.8517 5.69553 GPRESSAVG: 3111200 -91.6052 22.4508 -49.6819 21.9957 65.2535 0.81412 -44.5346 -1.55136 4.95756 TIMING: 3111200 CPU: 9826.02, 0.00314597/step Wall: 9826.02, 0.00314597/step, 1.65059 hours remaining, 235.132812 MB of memory in use. ENERGY: 3111200 3998.7361 20685.4455 14454.4079 246.6758 -202679.7076 2369.9240 0.0000 0.0000 52146.7035 -108777.8148 299.6878 -160924.5183 -108427.7624 300.4778 -201.7876 -176.9096 762932.9878 -7.3165 -7.1314 PRESSURE: 3111400 -11.1107 -123.182 30.7852 -123.181 59.6325 -89.5219 30.785 -89.5212 -69.8298 GPRESSURE: 3111400 32.9821 -154.198 103.237 -90.0526 25.3932 -153.926 -65.1835 83.1417 -6.68615 PRESSAVG: 3111400 12.678 19.7655 -25.5007 19.7655 33.1837 -37.4861 -25.5007 -37.4861 -5.11658 GPRESSAVG: 3111400 12.6419 19.8501 -26.8255 19.2303 31.668 -37.2754 -26.5954 -35.4465 -4.22756 TIMING: 3111400 CPU: 9826.65, 0.00316762/step Wall: 9826.65, 0.00316762/step, 1.66177 hours remaining, 235.132812 MB of memory in use. ENERGY: 3111400 4023.5928 20387.0121 14485.5980 258.8561 -202845.3568 2477.4816 0.0000 0.0000 52325.2588 -108887.5576 300.7140 -161212.8163 -108527.5009 300.7262 -7.1027 17.2297 760923.1685 13.5817 13.3608 PRESSURE: 3111600 -63.3472 54.6865 -31.6994 54.6853 46.6357 74.855 -31.6986 74.8553 410.705 GPRESSURE: 3111600 -36.794 63.0483 -138.109 66.1815 127.549 31.9551 -18.498 -9.36472 389.752 PRESSAVG: 3111600 -48.5879 2.55949 9.23403 2.5595 29.9351 9.04838 9.23405 9.04841 34.4501 GPRESSAVG: 3111600 -48.2081 4.04871 8.45762 -0.687081 30.4169 8.15906 8.74155 7.03855 34.1264 TIMING: 3111600 CPU: 9827.28, 0.00316893/step Wall: 9827.28, 0.00316893/step, 1.66228 hours remaining, 235.132812 MB of memory in use. ENERGY: 3111600 3924.3650 20477.4702 14436.7066 238.0809 -202622.0498 2439.1565 0.0000 0.0000 52115.5426 -108990.7281 299.5087 -161106.2706 -108625.7407 299.9950 131.3311 160.1690 761777.2894 5.2658 5.4451 PRESSURE: 3111800 23.5633 -39.6914 -106.397 -39.6922 171.772 -79.3497 -106.398 -79.3505 395.535 GPRESSURE: 3111800 77.5449 -38.8476 -138.845 -52.4059 218.044 -91.599 -43.3468 -55.0971 364.464 PRESSAVG: 3111800 -3.8238 9.32677 -90.2553 9.32679 29.03 16.6532 -90.2553 16.6533 9.99038 GPRESSAVG: 3111800 -3.02863 7.52936 -89.0942 13.1298 29.5916 16.2889 -89.4415 17.0853 7.88326 TIMING: 3111800 CPU: 9827.92, 0.00316603/step Wall: 9827.92, 0.00316603/step, 1.66058 hours remaining, 235.132812 MB of memory in use. ENERGY: 3111800 3954.8776 20546.0834 14363.5281 251.8667 -203039.4161 2437.5325 0.0000 0.0000 52163.8764 -109321.6515 299.7865 -161485.5278 -108967.4690 299.5925 196.9571 220.0176 760333.0889 11.7322 11.4821 PRESSURE: 3112000 -69.9209 -3.2251 -80.3059 -3.22463 -106.163 163.995 -80.3063 163.996 -123.857 GPRESSURE: 3112000 -129.385 -93.0948 -115.599 28.2342 25.1982 187.504 -187.983 67.3959 -108.707 PRESSAVG: 3112000 -27.5539 8.34193 -51.6947 8.34192 -32.0904 44.4732 -51.6948 44.4732 16.8017 GPRESSAVG: 3112000 -29.1496 8.88653 -51.1393 8.78021 -31.9814 44.7491 -52.9196 42.5618 18.027 TIMING: 3112000 CPU: 9828.55, 0.00314268/step Wall: 9828.55, 0.00314268/step, 1.64816 hours remaining, 235.132812 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: 3112000 4021.1880 20601.8090 14320.5097 237.2545 -203125.9266 2391.4246 0.0000 0.0000 52163.8803 -109389.8605 299.7865 -161553.7408 -109037.5071 299.2268 -99.9801 -70.9646 759515.2449 -14.2809 -14.3680 PRESSURE: 3112200 -408.284 78.6477 233.303 78.6473 449.588 188.486 233.303 188.486 -264.536 GPRESSURE: 3112200 -308.08 7.69891 252.574 -12.5964 419.888 204.205 179.29 100.334 -260.552 PRESSAVG: 3112200 1.29684 22.0452 13.4043 22.0452 -1.76835 -6.33474 13.4043 -6.3347 3.61475 GPRESSAVG: 3112200 1.02669 21.1831 12.1054 21.7677 -2.44582 -5.83542 14.3364 -6.43339 4.4586 TIMING: 3112200 CPU: 9829.17, 0.00312723/step Wall: 9829.17, 0.00312723/step, 1.63989 hours remaining, 235.132812 MB of memory in use. ENERGY: 3112200 4049.9974 20568.0860 14404.0978 264.5083 -203152.4251 2493.1936 0.0000 0.0000 52069.9192 -109302.6228 299.2465 -161372.5420 -108941.9621 299.5020 -74.4104 -49.5815 760911.3695 1.0477 1.0132 LDB: ============= START OF LOAD BALANCING ============== 9841.7 LDB: ============== END OF LOAD BALANCING =============== 9841.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9841.71 LDB: ============= START OF LOAD BALANCING ============== 9842.02 LDB: Largest compute 7075 load 0.033084 is 16.9% of average load 0.195543 LDB: Average compute 0.004373 is 2.2% of average load 0.195543 LDB: TIME 9842.02 LOAD: AVG 0.195543 MAX 0.217345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 9842.02 LOAD: AVG 0.195543 MAX 0.217345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.961 MB LDB: TIME 9842.02 LOAD: AVG 0.195543 MAX 0.217345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.961 MB LDB: ============== END OF LOAD BALANCING =============== 9842.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9842.03 PRESSURE: 3112400 130.434 60.3779 -18.9127 60.3772 -496.887 -93.4018 -18.9132 -93.4017 80.7914 GPRESSURE: 3112400 187.852 17.3538 -43.6797 145.364 -431.215 -27.1482 -7.55481 38.3881 43.1204 PRESSAVG: 3112400 -48.5007 2.8686 -10.8886 2.86859 71.4114 -60.031 -10.8886 -60.0311 11.2859 GPRESSAVG: 3112400 -48.6099 4.43439 -10.2554 4.47053 72.5368 -58.7848 -9.96509 -56.4273 10.8525 TIMING: 3112400 CPU: 9829.81, 0.00321603/step Wall: 9829.81, 0.00321603/step, 1.68627 hours remaining, 235.960938 MB of memory in use. ENERGY: 3112400 3923.9239 20678.7515 14376.6629 245.7668 -203148.2208 2576.4957 0.0000 0.0000 51673.9564 -109672.6635 296.9709 -161346.6199 -109318.8405 299.0139 -95.2205 -66.7476 760983.7712 11.3989 11.5932 PRESSURE: 3112600 -170.849 86.3268 -69.4986 86.3276 -12.5667 130.16 -69.4975 130.16 152.895 GPRESSURE: 3112600 -147.566 15.3949 -4.37328 39.812 16.3112 170.85 -104.759 103.031 184.156 PRESSAVG: 3112600 -7.42388 -26.3619 -17.6712 -26.3619 -4.60317 -50.0982 -17.6712 -50.0983 25.1364 GPRESSAVG: 3112600 -6.61428 -27.9306 -17.9159 -27.6129 -3.89721 -52.5867 -17.7951 -53.229 23.6464 TIMING: 3112600 CPU: 9830.45, 0.00316342/step Wall: 9830.45, 0.00316342/step, 1.65851 hours remaining, 236.234375 MB of memory in use. ENERGY: 3112600 4020.9003 20620.3923 14407.9176 230.3499 -203372.1881 2724.8474 0.0000 0.0000 51846.7233 -109521.0574 297.9638 -161367.7807 -109168.7853 298.8412 -10.1735 17.6338 761692.0689 4.3698 4.3783 PRESSURE: 3112800 666.352 17.072 -32.7985 17.0712 304.236 -58.6382 -32.7983 -58.6384 421.452 GPRESSURE: 3112800 624.372 54.9856 -26.1723 29.3974 349.808 -58.5177 -41.3301 -56.1792 507.733 PRESSAVG: 3112800 1.76201 -1.82125 -55.1833 -1.82128 1.88375 -36.0297 -55.1833 -36.0297 7.37171 GPRESSAVG: 3112800 1.38458 0.811173 -55.6706 -3.44877 -0.25192 -36.9085 -55.5549 -34.54 10.0053 TIMING: 3112800 CPU: 9831.07, 0.00313507/step Wall: 9831.07, 0.00313507/step, 1.64347 hours remaining, 236.437500 MB of memory in use. ENERGY: 3112800 3939.3759 20399.2380 14311.0880 260.1133 -203717.4968 3084.1540 0.0000 0.0000 52252.3947 -109471.1329 300.2952 -161723.5276 -109103.5733 298.9478 464.0133 493.9709 761379.9503 3.6725 3.7126 PRESSURE: 3113000 -331.026 -186.761 74.9553 -186.759 62.7815 -68.7745 74.9553 -68.7733 93.9157 GPRESSURE: 3113000 -279.166 -216.99 76.6313 -174.976 65.8052 -49.9937 49.5579 -144.528 119.537 PRESSAVG: 3113000 -3.29351 7.45665 -31.8063 7.45661 18.8792 22.9352 -31.8063 22.9352 19.8149 GPRESSAVG: 3113000 -4.23949 4.66358 -29.6254 9.46657 21.0673 25.2817 -32.5062 22.2492 18.6127 TIMING: 3113000 CPU: 9831.7, 0.00314299/step Wall: 9831.7, 0.00314299/step, 1.64745 hours remaining, 236.437500 MB of memory in use. ENERGY: 3113000 3991.7073 20431.4143 14397.5693 245.2833 -203298.9639 2703.5282 0.0000 0.0000 52044.4867 -109484.9748 299.1004 -161529.4615 -109125.7261 299.1500 -58.1097 -31.2746 762852.3737 11.8002 11.8135 PRESSURE: 3113200 135.847 82.4043 -182.628 82.4055 -284.616 59.5265 -182.629 59.5254 -510.095 GPRESSURE: 3113200 54.489 43.3766 -232.695 104.533 -177.335 74.2401 -196.082 -79.2538 -455.18 PRESSAVG: 3113200 -6.34275 6.84431 -10.3947 6.84432 17.5823 -16.5697 -10.3946 -16.5696 -0.234026 GPRESSAVG: 3113200 -5.64095 8.13667 -11.2091 5.36369 16.9361 -16.1941 -11.0374 -15.2534 -0.171863 TIMING: 3113200 CPU: 9832.34, 0.00316257/step Wall: 9832.34, 0.00316257/step, 1.65754 hours remaining, 236.437500 MB of memory in use. ENERGY: 3113200 3994.7575 20440.9281 14355.8269 235.4707 -203286.8209 2778.5771 0.0000 0.0000 51959.8832 -109521.3773 298.6142 -161481.2605 -109157.3740 299.1500 -219.6214 -192.6754 762524.1628 3.6685 3.7078 PRESSURE: 3113400 156.66 147.449 -188.43 147.449 323.118 -134.259 -188.429 -134.26 162.305 GPRESSURE: 3113400 186.981 36.1313 -198.343 104.054 323.432 -204.015 -161.186 -229.223 190.401 PRESSAVG: 3113400 3.36153 3.90505 -3.63796 3.90503 37.4743 -56.6453 -3.63793 -56.6453 23.0283 GPRESSAVG: 3113400 3.71362 4.20776 -4.48464 4.2466 37.479 -57.7988 -3.67897 -57.371 22.5304 TIMING: 3113400 CPU: 9832.97, 0.00314942/step Wall: 9832.97, 0.00314942/step, 1.65047 hours remaining, 236.437500 MB of memory in use. ENERGY: 3113400 3952.8450 20488.0741 14319.5420 249.6309 -203687.0565 2933.4136 0.0000 0.0000 51978.3302 -109765.2207 298.7202 -161743.5510 -109417.1297 298.6381 214.0275 233.6044 762502.9011 21.2880 21.2410 PRESSURE: 3113600 -201.302 -247.375 -57.3346 -247.375 17.6126 -44.0132 -57.3349 -44.0135 73.1443 GPRESSURE: 3113600 -119.764 -251.717 -43.7629 -232.155 49.3139 -50.3884 -67.297 80.7158 66.9696 PRESSAVG: 3113600 -58.4052 -7.39871 -1.35644 -7.3987 64.6512 -8.52031 -1.35647 -8.52037 -1.54438 GPRESSAVG: 3113600 -57.6606 -6.61299 -1.15507 -8.3403 64.086 -8.53717 0.539774 -7.49389 -1.73418 TIMING: 3113600 CPU: 9833.59, 0.00312932/step Wall: 9833.59, 0.00312932/step, 1.63976 hours remaining, 236.437500 MB of memory in use. ENERGY: 3113600 3996.7442 20236.7546 14403.4293 263.0548 -203678.0664 2773.4986 0.0000 0.0000 51914.8096 -110089.7752 298.3551 -162004.5849 -109731.3885 298.0425 -36.8484 -1.1603 763789.8179 1.5672 1.5637 PRESSURE: 3113800 -333.049 -35.5719 -78.8799 -35.5722 -14.4166 261.655 -78.8799 261.655 -426.052 GPRESSURE: 3113800 -231.056 -187.56 -235.198 -35.5543 -74.7959 261.497 -35.7073 128.49 -379.737 PRESSAVG: 3113800 -3.73848 -28.534 -9.1853 -28.534 31.1386 -36.8595 -9.18536 -36.8595 29.4601 GPRESSAVG: 3113800 -2.94742 -29.4943 -11.1635 -26.917 30.499 -35.8258 -8.80889 -38.5224 28.9897 TIMING: 3113800 CPU: 9834.22, 0.00314477/step Wall: 9834.22, 0.00314477/step, 1.64768 hours remaining, 236.437500 MB of memory in use. ENERGY: 3113800 3910.3394 20371.3113 14357.0938 253.5643 -203446.1808 2667.9616 0.0000 0.0000 51674.9923 -110210.9180 296.9769 -161885.9103 -109852.7312 297.4584 -257.8392 -228.5295 763840.3304 18.9534 18.8471 PRESSURE: 3114000 -103.416 81.8752 283.303 81.8751 467.284 -84.3398 283.302 -84.3387 433.047 GPRESSURE: 3114000 -78.3639 44.0385 268.019 76.6611 521.622 -8.33317 328.145 -64.7207 437.776 PRESSAVG: 3114000 0.285899 -2.65736 -10.9994 -2.65738 4.25148 -42.9367 -10.9994 -42.9367 -20.1935 GPRESSAVG: 3114000 -0.57133 -3.26784 -8.28078 -2.71933 5.04482 -43.1067 -11.941 -42.9236 -19.7794 TIMING: 3114000 CPU: 9834.84, 0.00312168/step Wall: 9834.84, 0.00312168/step, 1.63541 hours remaining, 236.437500 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: 3114000 3962.7845 20318.9004 14415.8531 236.1864 -203945.0447 3017.4767 0.0000 0.0000 51875.3983 -110118.4453 298.1286 -161993.8436 -109763.3669 297.6552 265.6387 293.6778 761541.5870 -5.2187 -5.1020 PRESSURE: 3114200 130.384 -182.085 144.087 -182.086 184.367 -6.29787 144.086 -6.29757 324.945 GPRESSURE: 3114200 166.556 -171.098 115.358 -56.8431 228.937 0.690252 106.163 -6.27432 340.259 PRESSAVG: 3114200 21.3438 -68.1665 -9.77094 -68.1664 4.61619 -20.0218 -9.77095 -20.0218 4.50708 GPRESSAVG: 3114200 20.2233 -67.1729 -9.78082 -67.4778 5.45053 -19.514 -10.5171 -20.7099 4.31794 TIMING: 3114200 CPU: 9835.48, 0.00315292/step Wall: 9835.48, 0.00315292/step, 1.65161 hours remaining, 236.437500 MB of memory in use. ENERGY: 3114200 3903.9626 20397.7634 14387.6587 247.7180 -203530.0461 2678.1471 0.0000 0.0000 51986.7300 -109928.0662 298.7685 -161914.7962 -109571.2027 297.7833 213.2318 245.2508 762584.1985 10.1557 9.9973 PRESSURE: 3114400 -288.818 -216.836 -235.259 -216.836 -20.2379 -110.746 -235.259 -110.746 7.20632 GPRESSURE: 3114400 -160.884 -141.936 -149.037 -78.6315 -80.3451 -245.872 -82.1806 -136.305 29.8136 PRESSAVG: 3114400 10.6475 50.8911 13.0126 50.891 -20.9475 -66.4296 13.0126 -66.4296 -10.4192 GPRESSAVG: 3114400 10.8432 49.4712 12.4395 51.554 -21.1131 -68.2018 13.1442 -64.7724 -10.3998 TIMING: 3114400 CPU: 9836.1, 0.00314824/step Wall: 9836.1, 0.00314824/step, 1.64898 hours remaining, 236.437500 MB of memory in use. ENERGY: 3114400 3939.1847 20452.0801 14395.8232 247.8159 -203674.3344 2721.6837 0.0000 0.0000 52081.8539 -109835.8928 299.3151 -161917.7467 -109471.0596 297.8679 -100.6166 -70.4719 764671.1215 -6.9064 -6.8899 PRESSURE: 3114600 -217.142 67.3592 0.250761 67.3579 -70.1951 73.5553 0.251251 73.556 129.246 GPRESSURE: 3114600 -326.527 39.8419 118.567 -5.72766 22.5454 79.1037 -76.4979 38.2153 218.475 PRESSAVG: 3114600 -20.325 -8.88356 -34.7615 -8.88355 32.3292 -5.24492 -34.7615 -5.24489 -15.1486 GPRESSAVG: 3114600 -19.9565 -10.6479 -35.4506 -8.54042 33.1875 -5.78691 -31.8139 -5.6974 -16.0179 TIMING: 3114600 CPU: 9836.74, 0.00316387/step Wall: 9836.74, 0.00316387/step, 1.65699 hours remaining, 236.437500 MB of memory in use. ENERGY: 3114600 4006.6688 20443.8466 14385.4122 233.5072 -203525.5465 2735.2833 0.0000 0.0000 52115.5568 -109605.2716 299.5088 -161720.8284 -109247.0717 298.3846 -52.6969 -28.5022 762684.1644 -1.0481 -0.9290 PRESSURE: 3114800 -149.567 -178.483 8.15707 -178.484 -164.982 -13.0735 8.15654 -13.0732 -75.5337 GPRESSURE: 3114800 -114.673 -107.426 36.4067 -150.502 -102.293 -84.0245 31.3699 -19.4759 -90.4738 PRESSAVG: 3114800 -34.0151 -15.0374 11.3506 -15.0375 49.8788 6.35573 11.3506 6.35575 19.7658 GPRESSAVG: 3114800 -34.3705 -13.8039 14.3133 -17.3042 48.9727 8.57984 9.25265 6.37259 20.498 TIMING: 3114800 CPU: 9837.37, 0.00316122/step Wall: 9837.37, 0.00316122/step, 1.65542 hours remaining, 236.437500 MB of memory in use. ENERGY: 3114800 3975.9457 20468.3422 14357.9930 249.7374 -203620.5380 2976.1044 0.0000 0.0000 51908.1035 -109684.3119 298.3166 -161592.4154 -109324.4399 297.9837 -130.0276 -102.4800 763941.6488 11.8765 11.7001 PRESSURE: 3115000 -264.828 48.2857 35.8466 48.286 -288.531 -77.2481 35.8469 -77.2488 50.2526 GPRESSURE: 3115000 -205.756 5.43254 80.0931 -72.7043 -292.119 -62.2447 26.8476 22.3242 85.4875 PRESSAVG: 3115000 -35.6969 -21.895 -21.732 -21.895 37.8859 -17.5076 -21.7319 -17.5076 -6.92119 GPRESSAVG: 3115000 -35.5444 -20.9804 -21.8675 -21.6124 37.6 -18.2198 -22.7388 -17.0667 -6.75884 TIMING: 3115000 CPU: 9838, 0.00316079/step Wall: 9838, 0.00316079/step, 1.65503 hours remaining, 236.437500 MB of memory in use. ENERGY: 3115000 3946.8136 20373.3442 14385.3690 253.8698 -202974.0217 2862.5386 0.0000 0.0000 51607.5102 -109544.5763 296.5891 -161152.0865 -109188.0949 298.0690 -167.7020 -137.4624 766357.2126 -1.5774 -1.5677 PRESSURE: 3115200 203.345 -181.138 44.845 -181.137 -136.027 -94.8004 44.8453 -94.8002 -109.231 GPRESSURE: 3115200 284.998 -214.872 61.5811 -94.8022 -92.7834 -134.077 60.3691 -126.838 -152.505 PRESSAVG: 3115200 37.9441 -65.2267 -12.1704 -65.2267 5.39499 -31.6888 -12.1704 -31.6888 -31.0575 GPRESSAVG: 3115200 38.9997 -66.3507 -13.688 -64.0592 4.66219 -31.5215 -10.8882 -30.1637 -31.5997 TIMING: 3115200 CPU: 9838.63, 0.00315473/step Wall: 9838.63, 0.00315473/step, 1.65167 hours remaining, 236.437500 MB of memory in use. ENERGY: 3115200 3992.1791 20129.2040 14338.1002 260.5215 -202331.4437 2449.0974 0.0000 0.0000 51797.8601 -109364.4813 297.6830 -161162.3414 -109002.4021 298.4010 -13.9709 13.2364 764975.6207 4.0939 4.0207 PRESSURE: 3115400 97.3223 121.353 50.1083 121.352 -252.518 111.247 50.1078 111.247 -142.971 GPRESSURE: 3115400 183.893 -11.2936 106.84 66.9089 -199.845 156.66 48.6868 18.4007 -218.464 PRESSAVG: 3115400 52.1348 -41.0208 22.1349 -41.0208 -37.6786 -16.4252 22.1349 -16.425 16.7244 GPRESSAVG: 3115400 52.1552 -43.1083 22.8094 -42.6752 -37.2791 -18.0117 20.7484 -17.8611 16.5123 TIMING: 3115400 CPU: 9839.26, 0.00313739/step Wall: 9839.26, 0.00313739/step, 1.64243 hours remaining, 236.437500 MB of memory in use. ENERGY: 3115400 3951.4039 20466.9343 14394.2910 240.1075 -202584.6745 2449.5574 0.0000 0.0000 51891.8422 -109190.5381 298.2231 -161082.3803 -108829.5810 298.5248 -99.3889 -78.1389 763633.7203 10.3935 10.4628 PRESSURE: 3115600 218.441 -150.88 72.1832 -150.881 -281.103 -81.0127 72.1825 -81.0121 -76.6884 GPRESSURE: 3115600 148.602 -177.522 22.4754 -217.985 -194.961 -113.538 137.733 -50.1449 -35.8705 PRESSAVG: 3115600 26.6736 -29.8748 -18.9243 -29.8748 -36.4235 -18.3471 -18.9242 -18.3472 -3.74822 GPRESSAVG: 3115600 25.7529 -28.1515 -19.1163 -28.5111 -36.5623 -16.99 -18.6474 -17.906 -2.96942 TIMING: 3115600 CPU: 9839.89, 0.00315374/step Wall: 9839.89, 0.00315374/step, 1.65081 hours remaining, 236.437500 MB of memory in use. ENERGY: 3115600 3970.0089 20534.6286 14401.4378 253.0919 -202700.2457 2515.2996 0.0000 0.0000 51784.0535 -109241.7256 297.6037 -161025.7791 -108884.7182 298.6801 -46.4500 -27.4096 763789.5473 -4.4994 -4.5929 PRESSURE: 3115800 101.565 -232.788 244.207 -232.788 37.8438 -89.8148 244.208 -89.8149 -17.4995 GPRESSURE: 3115800 58.4053 -204.45 340.296 -203.084 101.548 -178.339 -14.0603 -20.8852 25.6118 PRESSAVG: 3115800 -13.9721 -50.2968 -34.2739 -50.2968 -5.41509 31.5394 -34.2738 31.5393 -20.8102 GPRESSAVG: 3115800 -13.2547 -49.0828 -34.3858 -50.6197 -6.20939 29.5172 -34.7165 30.4366 -20.3618 TIMING: 3115800 CPU: 9840.52, 0.003162/step Wall: 9840.52, 0.003162/step, 1.65496 hours remaining, 236.437500 MB of memory in use. ENERGY: 3115800 3976.3990 20555.9718 14380.6891 239.6077 -203010.3916 2812.7515 0.0000 0.0000 51981.4717 -109063.5007 298.7382 -161044.9724 -108715.1213 298.9079 40.6365 61.8551 764814.0068 -13.3991 -13.2753 PRESSURE: 3116000 -97.3187 -39.2305 -142.506 -39.2312 259.285 92.2122 -142.505 92.2121 6.92429 GPRESSURE: 3116000 -100.038 -114.518 -112.036 -137.672 282.644 12.0218 -120.235 184.438 85.7035 PRESSAVG: 3116000 -23.7549 -41.6745 30.9637 -41.6745 37.1743 -5.78919 30.9637 -5.78914 13.1553 GPRESSAVG: 3116000 -23.9528 -42.4333 31.0484 -43.134 37.4213 -3.49662 33.2289 -5.94988 13.4316 TIMING: 3116000 CPU: 9841.15, 0.00313734/step Wall: 9841.15, 0.00313734/step, 1.64188 hours remaining, 236.437500 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: 3116000 3995.5853 20465.6448 14375.1995 230.9605 -202880.5762 2821.4675 0.0000 0.0000 52001.6238 -108990.0948 298.8540 -160991.7186 -108636.7808 299.4128 56.2969 89.4363 765092.5667 8.8582 8.9667 PRESSURE: 3116200 -106.95 -46.4048 132.679 -46.4043 232.513 72.5259 132.68 72.5266 201.024 GPRESSURE: 3116200 13.4486 -164.418 -1.18593 5.79248 240.414 49.4751 152.569 18.8737 170.95 PRESSAVG: 3116200 -5.43868 -15.8266 -35.3501 -15.8266 1.33391 14.1867 -35.3502 14.1868 -22.5301 GPRESSAVG: 3116200 -5.12299 -16.4551 -35.8249 -13.8514 1.31495 13.9434 -37.7073 14.6362 -23.3452 TIMING: 3116200 CPU: 9841.78, 0.00314687/step Wall: 9841.78, 0.00314687/step, 1.64669 hours remaining, 236.437500 MB of memory in use. ENERGY: 3116200 4014.8500 20652.8658 14451.3719 254.9416 -203206.4373 2802.1875 0.0000 0.0000 51967.7104 -109062.5100 298.6591 -161030.2204 -108711.9880 300.0475 108.8623 141.6040 763249.1897 -8.8783 -9.0511 LDB: ============= START OF LOAD BALANCING ============== 9854.31 LDB: ============== END OF LOAD BALANCING =============== 9854.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9854.31 LDB: ============= START OF LOAD BALANCING ============== 9854.63 LDB: Largest compute 7060 load 0.032452 is 16.6% of average load 0.195619 LDB: Average compute 0.004384 is 2.2% of average load 0.195619 LDB: TIME 9854.63 LOAD: AVG 0.195619 MAX 0.212265 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 9854.63 LOAD: AVG 0.195619 MAX 0.212265 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 9854.63 LOAD: AVG 0.195619 MAX 0.212265 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 9854.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9854.64 PRESSURE: 3116400 -40.6035 -80.4481 95.8036 -80.4477 17.4518 -118.982 95.8035 -118.982 -383.428 GPRESSURE: 3116400 -24.7505 -142.537 165.626 -68.5678 11.6867 -132.345 186.255 -118.722 -303.886 PRESSAVG: 3116400 -14.555 -37.4494 27.0145 -37.4493 10.3189 -0.167687 27.0145 -0.167572 -24.9054 GPRESSAVG: 3116400 -14.654 -38.0618 27.2477 -36.8376 9.48146 0.929965 29.0384 -0.660548 -23.7535 TIMING: 3116400 CPU: 9842.42, 0.00322224/step Wall: 9842.42, 0.00322224/step, 1.68595 hours remaining, 235.960938 MB of memory in use. ENERGY: 3116400 3986.9979 20493.0568 14451.6895 233.6445 -203136.5516 2699.5211 0.0000 0.0000 52129.2101 -109142.4316 299.5873 -161271.6417 -108783.4972 299.9786 -135.5265 -105.6500 762987.0788 -9.7138 -9.6420 PRESSURE: 3116600 -180.031 -21.2238 -163.308 -21.2244 -0.422019 36.3367 -163.308 36.3369 -125.002 GPRESSURE: 3116600 -180.871 64.2814 -129.343 5.48049 57.7883 -40.7647 -76.0742 171.505 -79.7288 PRESSAVG: 3116600 -35.5205 -33.6053 67.7247 -33.6053 35.7251 1.33947 67.7247 1.33953 -12.0208 GPRESSAVG: 3116600 -35.5555 -32.6202 67.7846 -33.5363 36.3254 -0.171544 66.4072 1.45231 -12.7117 TIMING: 3116600 CPU: 9843.06, 0.00315903/step Wall: 9843.06, 0.00315903/step, 1.6527 hours remaining, 236.421875 MB of memory in use. ENERGY: 3116600 3948.2741 20505.6722 14424.6684 263.1993 -203227.9345 2637.7978 0.0000 0.0000 52306.9034 -109141.4193 300.6085 -161448.3227 -108775.9281 299.7777 -101.8184 -67.6037 761482.4897 -3.9387 -3.9806 PRESSURE: 3116800 25.4199 62.686 66.8074 62.6853 -24.5725 -58.6497 66.8073 -58.6492 -509.296 GPRESSURE: 3116800 -0.813617 108.118 143.091 50.5367 -84.3088 -80.9878 -24.0199 -257.002 -332.769 PRESSAVG: 3116800 -35.2686 -47.7522 -15.4541 -47.7522 28.4977 13.0922 -15.4541 13.0921 -19.0776 GPRESSAVG: 3116800 -34.732 -47.5764 -14.8839 -50.1098 29.0671 13.3466 -13.919 11.8122 -20.1953 TIMING: 3116800 CPU: 9843.69, 0.00314747/step Wall: 9843.69, 0.00314747/step, 1.64647 hours remaining, 236.421875 MB of memory in use. ENERGY: 3116800 4040.7784 20561.6717 14507.3320 240.6113 -203427.4065 2759.1412 0.0000 0.0000 52152.2847 -109165.5873 299.7199 -161317.8719 -108802.2629 299.6707 -169.4827 -139.2972 761882.4104 -8.6162 -8.6201 PRESSURE: 3117000 21.247 192.376 136.39 192.377 109.32 -108.201 136.391 -108.201 -181.874 GPRESSURE: 3117000 145.492 231.314 123.093 106.562 96.4344 -81.522 42.4155 -102.138 -207.254 PRESSAVG: 3117000 -15.0532 -13.3558 -1.8547 -13.3558 18.3545 -18.7897 -1.85474 -18.7898 -19.7402 GPRESSAVG: 3117000 -15.878 -13.2238 -1.96229 -11.9609 19.4724 -16.4181 -3.91294 -19.6412 -19.5069 TIMING: 3117000 CPU: 9844.32, 0.00315013/step Wall: 9844.32, 0.00315013/step, 1.64769 hours remaining, 236.421875 MB of memory in use. ENERGY: 3117000 4044.5282 20487.9715 14472.8232 247.9086 -203127.7251 2421.8437 0.0000 0.0000 52026.3949 -109426.2550 298.9964 -161452.6500 -109065.8478 299.4808 -17.1023 11.5574 760758.1821 -5.4796 -5.3042 PRESSURE: 3117200 129.907 -75.0985 -249.682 -75.0978 -149.53 146.18 -249.681 146.179 31.0061 GPRESSURE: 3117200 189.519 -22.1494 -191.995 -151.952 -82.2341 154.541 -239.978 228.177 11.2231 PRESSAVG: 3117200 -27.112 -24.8038 2.91288 -24.8037 6.86348 54.8144 2.91292 54.8145 18.9157 GPRESSAVG: 3117200 -27.7583 -24.087 2.84361 -26.1374 6.75688 52.9812 4.6654 57.2151 19.7615 TIMING: 3117200 CPU: 9844.94, 0.00310998/step Wall: 9844.94, 0.00310998/step, 1.62652 hours remaining, 236.421875 MB of memory in use. ENERGY: 3117200 4007.7430 20538.4791 14364.3496 234.5527 -203681.4418 2655.0045 0.0000 0.0000 52436.9627 -109444.3504 301.3559 -161881.3130 -109086.3198 299.7775 3.7941 39.5027 760132.5524 -0.4443 -0.4133 PRESSURE: 3117400 -41.2119 30.157 57.076 30.1571 -149.907 -231.801 57.0761 -231.801 321.907 GPRESSURE: 3117400 -20.4276 -7.1062 98.3597 8.77787 -94.5813 -253.034 61.2373 -142.982 318.454 PRESSAVG: 3117400 -15.415 13.3439 13.9537 13.344 11.5576 -26.4673 13.9537 -26.4674 9.13108 GPRESSAVG: 3117400 -15.0101 12.5519 15.3386 15.6649 12.1264 -25.6153 13.406 -27.4126 8.56012 TIMING: 3117400 CPU: 9845.56, 0.00312813/step Wall: 9845.56, 0.00312813/step, 1.63584 hours remaining, 236.421875 MB of memory in use. ENERGY: 3117400 4007.1756 20446.0257 14515.5284 274.7683 -202987.5117 2430.7341 0.0000 0.0000 51872.9156 -109440.3641 298.1144 -161313.2797 -109065.3519 299.5517 43.5960 67.8150 761060.5948 1.7579 1.8921 PRESSURE: 3117600 -174.229 -174.613 -131.633 -174.613 333.166 -165.399 -131.634 -165.4 432.939 GPRESSURE: 3117600 -146.534 -179.307 -66.3187 -220.219 362.819 -212.414 -75.3224 -86.2492 458.38 PRESSAVG: 3117600 10.9328 5.511 9.4326 5.51099 2.95351 -18.9732 9.43258 -18.9731 1.81628 GPRESSAVG: 3117600 12.0985 3.87367 7.62724 7.27516 0.641256 -19.5217 10.7898 -19.7199 2.76236 TIMING: 3117600 CPU: 9846.19, 0.00312178/step Wall: 9846.19, 0.00312178/step, 1.63235 hours remaining, 236.421875 MB of memory in use. ENERGY: 3117600 3956.9221 20437.7847 14435.9547 245.8813 -203057.9279 2471.5415 0.0000 0.0000 52252.1865 -109257.6570 300.2940 -161509.8435 -108890.4868 299.7492 197.2917 224.8884 760787.2514 5.2342 5.1674 PRESSURE: 3117800 125.348 147.008 186.494 147.008 386.416 -68.3408 186.494 -68.342 -108.831 GPRESSURE: 3117800 81.0899 162.393 130.846 151.48 415.461 -68.0275 80.3684 -9.82047 5.46375 PRESSAVG: 3117800 -14.5414 53.6591 0.78206 53.6591 45.1999 -11.9693 0.782032 -11.9693 -27.2096 GPRESSAVG: 3117800 -14.6959 57.1814 0.343427 49.658 46.078 -13.0579 0.75083 -9.93036 -27.5788 TIMING: 3117800 CPU: 9846.81, 0.00313288/step Wall: 9846.81, 0.00313288/step, 1.63798 hours remaining, 236.421875 MB of memory in use. ENERGY: 3117800 3917.9437 20537.1237 14427.4926 234.1232 -203153.2443 2804.9468 0.0000 0.0000 52157.2387 -109074.3756 299.7484 -161231.6143 -108715.2952 299.8824 134.3114 167.3382 762191.9719 1.1496 1.2678 PRESSURE: 3118000 397.599 236.717 166.559 236.718 354.825 -10.8349 166.559 -10.8359 173.412 GPRESSURE: 3118000 421.767 252.137 214.58 232.571 388.317 55.9103 144.535 -57.5718 202.359 PRESSAVG: 3118000 -5.21655 51.1973 11.1529 51.1973 7.4872 -10.0375 11.1529 -10.0375 5.89935 GPRESSAVG: 3118000 -5.64258 49.6562 11.4679 52.9312 8.20321 -8.43765 10.2651 -11.6502 5.80785 TIMING: 3118000 CPU: 9847.44, 0.003134/step Wall: 9847.44, 0.003134/step, 1.63839 hours remaining, 236.421875 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: 3118000 3875.9609 20632.0138 14358.6123 237.7280 -203503.1006 2871.8130 0.0000 0.0000 52235.7963 -109291.1763 300.1998 -161526.9726 -108922.3112 299.9390 308.6122 337.4810 761217.4844 2.7233 2.7895 PRESSURE: 3118200 -3.04102 -18.3618 -91.8407 -18.3612 -164.413 162.761 -91.8392 162.761 138.12 GPRESSURE: 3118200 -112.155 13.6264 -75.1399 31.2843 -23.3144 201.722 -65.9032 216.044 183.151 PRESSAVG: 3118200 -17.3207 45.4374 51.3488 45.4374 13.5135 -32.0378 51.3488 -32.0378 2.65388 GPRESSAVG: 3118200 -16.4752 44.8537 51.6249 45.7516 12.8882 -32.8992 54.4336 -29.8316 2.35962 TIMING: 3118200 CPU: 9848.07, 0.00312824/step Wall: 9848.07, 0.00312824/step, 1.6352 hours remaining, 236.421875 MB of memory in use. ENERGY: 3118200 4014.0799 20594.2209 14384.5046 229.6069 -203621.5559 2914.7007 0.0000 0.0000 51932.1565 -109552.2864 298.4548 -161484.4429 -109200.6123 299.5867 -9.7781 15.8939 761688.7507 -0.3844 -0.4091 PRESSURE: 3118400 -289.757 129.722 87.1814 129.722 113.098 123.465 87.1806 123.464 -5.27896 GPRESSURE: 3118400 -213.388 -2.8719 104.386 245.077 136.646 169.367 32.2751 -46.0024 -14.6731 PRESSAVG: 3118400 -13.4211 85.1947 30.7205 85.1947 6.08483 20.1155 30.7204 20.1156 18.5592 GPRESSAVG: 3118400 -14.1653 84.4738 31.2277 85.963 6.61138 20.8424 27.899 18.4237 18.6921 TIMING: 3118400 CPU: 9848.69, 0.00313663/step Wall: 9848.69, 0.00313663/step, 1.63941 hours remaining, 236.421875 MB of memory in use. ENERGY: 3118400 3967.0621 20590.9188 14410.2957 256.1327 -203400.2323 2537.8235 0.0000 0.0000 52163.4383 -109474.5613 299.7840 -161637.9997 -109113.0833 299.3040 -60.6459 -30.4717 760983.9965 3.7410 3.7127 PRESSURE: 3118600 -33.3741 57.1582 -57.8916 57.1578 -387.184 -285.463 -57.8921 -285.462 -314.407 GPRESSURE: 3118600 -25.2565 7.21062 -7.33097 138.529 -362.278 -243.302 -100.143 -209.756 -269.804 PRESSAVG: 3118600 -9.30304 67.9131 26.7911 67.9131 30.7748 3.5632 26.7911 3.56315 -3.16361 GPRESSAVG: 3118600 -8.97891 68.3055 25.947 67.4686 29.2171 3.81723 28.3795 2.58553 -2.31112 TIMING: 3118600 CPU: 9849.32, 0.0031378/step Wall: 9849.32, 0.0031378/step, 1.63985 hours remaining, 236.421875 MB of memory in use. ENERGY: 3118600 4001.0121 20455.9544 14522.7266 250.3530 -203004.4486 2367.6896 0.0000 0.0000 52016.4022 -109390.3106 298.9390 -161406.7128 -109037.7885 299.5134 -244.9884 -219.1127 763363.6404 6.1027 5.9757 PRESSURE: 3118800 -342.471 -117.996 128.439 -117.996 132.586 -111.099 128.44 -111.098 -115.712 GPRESSURE: 3118800 -211.151 -142.233 83.7014 -35.8658 153.022 -160.056 224.582 114.571 -178.418 PRESSAVG: 3118800 -62.2324 45.5788 12.1724 45.5788 14.5847 41.0715 12.1724 41.0715 29.3252 GPRESSAVG: 3118800 -61.097 46.1014 12.8312 45.4176 15.6831 39.6328 10.4178 43.7981 27.2678 TIMING: 3118800 CPU: 9849.95, 0.00315379/step Wall: 9849.95, 0.00315379/step, 1.64803 hours remaining, 236.421875 MB of memory in use. ENERGY: 3118800 3912.4648 20535.3444 14447.8385 235.7240 -203074.1617 2649.1920 0.0000 0.0000 52005.3769 -109288.2211 298.8756 -161293.5980 -108928.3326 299.3658 -108.5322 -78.8490 763519.2063 -6.1075 -6.0487 PRESSURE: 3119000 11.441 30.008 23.8125 30.0077 222.938 -69.8977 23.8123 -69.8975 -37.2909 GPRESSURE: 3119000 32.1881 -72.7024 65.162 81.2107 203.882 -7.04417 116.142 15.8259 57.6337 PRESSAVG: 3119000 10.4848 24.9676 54.8891 24.9676 10.3027 3.60762 54.889 3.60759 -0.609288 GPRESSAVG: 3119000 10.5383 23.5836 55.6472 25.8191 9.82096 3.23769 57.2164 1.46847 -0.0456641 TIMING: 3119000 CPU: 9850.59, 0.00316167/step Wall: 9850.59, 0.00316167/step, 1.65197 hours remaining, 236.421875 MB of memory in use. ENERGY: 3119000 4019.2864 20572.3560 14472.2333 240.5363 -203513.1594 2993.0374 0.0000 0.0000 51771.1534 -109444.5567 297.5295 -161215.7101 -109084.3844 299.0077 65.6959 97.9011 759699.2208 6.7261 6.7712 PRESSURE: 3119200 317.29 52.8892 -20.6892 52.8898 -468.245 28.46 -20.6894 28.4621 -282.113 GPRESSURE: 3119200 290.547 129.808 -107.648 51.9325 -372.221 -51.4563 -85.4312 -45.9447 -233.616 PRESSAVG: 3119200 -12.4707 85.1232 40.9959 85.1233 -5.06173 5.63191 40.996 5.63192 16.2605 GPRESSAVG: 3119200 -12.0277 85.9178 39.0782 84.5521 -5.42701 6.08345 40.3199 5.13525 17.2981 TIMING: 3119200 CPU: 9851.22, 0.00315518/step Wall: 9851.22, 0.00315518/step, 1.6484 hours remaining, 236.421875 MB of memory in use. ENERGY: 3119200 3958.3207 20625.3100 14411.9820 241.3892 -203708.8443 2776.3023 0.0000 0.0000 51923.8802 -109771.6600 298.4073 -161695.5402 -109419.0615 298.9092 -144.3563 -105.0966 761718.7033 -0.4240 -0.0522 PRESSURE: 3119400 -269.873 58.6125 -149.615 58.6144 -120.912 -184.723 -149.615 -184.724 -134.51 GPRESSURE: 3119400 -242.162 78.4912 -169.514 124.931 -73.5091 -156.239 -130.364 -120.307 -125.436 PRESSAVG: 3119400 -81.3813 14.3421 8.7688 14.342 78.3751 -35.0189 8.76875 -35.019 -25.7905 GPRESSAVG: 3119400 -82.2044 14.3286 10.4547 14.1952 79.2251 -33.6761 7.84211 -32.8188 -26.0438 TIMING: 3119400 CPU: 9851.84, 0.00313256/step Wall: 9851.84, 0.00313256/step, 1.63642 hours remaining, 236.421875 MB of memory in use. ENERGY: 3119400 4030.2317 20443.5507 14439.5135 243.7949 -203530.3637 2601.5342 0.0000 0.0000 51986.4767 -109785.2618 298.7670 -161771.7385 -109419.8888 299.0657 -175.0983 -147.0356 760963.2686 -9.5989 -9.6744 PRESSURE: 3119600 -0.961248 1.76342 -40.7531 1.76306 0.267153 -116.99 -40.7538 -116.989 -36.2641 GPRESSURE: 3119600 52.012 -17.7721 -90.6822 -7.21791 78.1574 3.88257 -8.09741 -178.934 -67.0494 PRESSAVG: 3119600 -26.8995 46.6659 33.6992 46.666 22.2606 14.8495 33.6992 14.8495 -1.82657 GPRESSAVG: 3119600 -27.0378 47.9051 33.1831 45.7084 23.172 16.5464 32.8547 12.0121 -2.52094 TIMING: 3119600 CPU: 9852.47, 0.00313136/step Wall: 9852.47, 0.00313136/step, 1.63562 hours remaining, 236.421875 MB of memory in use. ENERGY: 3119600 3997.4500 20584.4234 14427.3852 226.9681 -203768.1386 2614.1461 0.0000 0.0000 52012.0477 -109905.7181 298.9140 -161917.7658 -109541.7552 298.6434 -12.3194 21.0400 759726.5431 -2.1552 -2.1289 PRESSURE: 3119800 -155.502 8.50436 -105.925 8.50453 -132.423 -123.726 -105.925 -123.727 -322.458 GPRESSURE: 3119800 -155.954 -133.746 -79.0978 -53.8635 -67.6724 -59.6621 53.4642 -78.5799 -288.788 PRESSAVG: 3119800 -64.7509 -22.0869 -4.31021 -22.0868 72.2495 53.0607 -4.31028 53.0608 6.04264 GPRESSAVG: 3119800 -66.0838 -20.9938 -5.62738 -21.4491 72.3012 52.693 -3.65647 54.3884 7.09702 TIMING: 3119800 CPU: 9853.1, 0.00317105/step Wall: 9853.1, 0.00317105/step, 1.65617 hours remaining, 236.421875 MB of memory in use. ENERGY: 3119800 4004.9254 20492.3380 14392.9041 240.8451 -203616.7462 2590.2725 0.0000 0.0000 52018.1012 -109877.3600 298.9487 -161895.4612 -109515.5381 298.5563 -203.4610 -170.8049 760228.4363 4.5138 4.4381 PRESSURE: 3120000 -172.951 105.945 79.635 105.946 -229.498 -39.4438 79.6347 -39.4436 -346.127 GPRESSURE: 3120000 -170.951 132.907 -90.3685 139.094 -125.21 -137.416 171.582 -102.256 -337.763 PRESSAVG: 3120000 -65.0771 -1.08044 -28.0552 -1.08044 82.5671 36.1286 -28.0551 36.1286 -16.6934 GPRESSAVG: 3120000 -63.8615 -2.11073 -27.459 -2.44733 83.159 32.9056 -27.0189 36.2104 -17.9529 TIMING: 3120000 CPU: 9853.74, 0.00318497/step Wall: 9853.74, 0.00318497/step, 1.66326 hours remaining, 236.421875 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: 3120000 4015.2378 20549.4873 14380.2471 240.8272 -203184.0393 2376.6481 0.0000 0.0000 51770.4932 -109851.0985 297.5257 -161621.5918 -109491.7169 298.4199 -249.5256 -211.3080 760303.6387 0.2656 0.4482 PRESSURE: 3120200 -46.3391 139.246 98.827 139.248 -124.409 27.7669 98.8264 27.7671 -119.866 GPRESSURE: 3120200 52.3602 63.7964 170.384 100.537 -57.3196 27.2722 107.445 -45.194 -198.482 PRESSAVG: 3120200 42.9038 -27.1415 23.443 -27.1416 -3.23814 -17.8883 23.4429 -17.8883 10.1765 GPRESSAVG: 3120200 42.7506 -28.1261 24.4569 -25.6004 -4.54531 -16.7408 23.6021 -18.4789 11.5881 TIMING: 3120200 CPU: 9854.37, 0.00316187/step Wall: 9854.37, 0.00316187/step, 1.65102 hours remaining, 236.421875 MB of memory in use. ENERGY: 3120200 3953.5952 20620.4799 14405.2684 234.4191 -203388.3546 2566.6105 0.0000 0.0000 51788.1255 -109819.8559 297.6271 -161607.9815 -109444.3510 299.1691 -96.8713 -67.8139 761662.1902 16.6141 16.5978 LDB: ============= START OF LOAD BALANCING ============== 9866.91 LDB: ============== END OF LOAD BALANCING =============== 9866.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9866.91 LDB: ============= START OF LOAD BALANCING ============== 9867.23 LDB: Largest compute 7030 load 0.032137 is 16.4% of average load 0.195519 LDB: Average compute 0.004389 is 2.2% of average load 0.195519 LDB: TIME 9867.23 LOAD: AVG 0.195519 MAX 0.21492 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 9867.23 LOAD: AVG 0.195519 MAX 0.21492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: TIME 9867.23 LOAD: AVG 0.195519 MAX 0.21492 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: ============== END OF LOAD BALANCING =============== 9867.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9867.24 PRESSURE: 3120400 89.127 -176.131 -36.3684 -176.131 -330.094 245.697 -36.369 245.698 -9.14793 GPRESSURE: 3120400 73.541 -138.497 -8.93097 -183.243 -221.353 206.179 6.10835 257.059 -5.38898 PRESSAVG: 3120400 14.6624 34.262 17.1191 34.262 -50.0143 -7.82438 17.119 -7.82436 -22.2257 GPRESSAVG: 3120400 14.6513 33.2751 16.4071 34.8226 -49.2537 -7.37082 17.2939 -6.55478 -22.7703 TIMING: 3120400 CPU: 9855.02, 0.00323772/step Wall: 9855.02, 0.00323772/step, 1.69045 hours remaining, 235.394531 MB of memory in use. ENERGY: 3120400 3959.6828 20324.7842 14336.4492 232.4000 -203140.1336 2448.2051 0.0000 0.0000 51914.3289 -109924.2834 298.3524 -161838.6123 -109563.6964 298.3248 -83.3715 -51.0671 763046.9786 -19.1925 -19.1242 PRESSURE: 3120600 142.364 9.19402 152.111 9.19359 -70.6499 -143.907 152.112 -143.906 106.273 GPRESSURE: 3120600 156.512 -36.4794 154.696 73.1648 20.5475 -63.0259 27.406 -129.656 104.388 PRESSAVG: 3120600 -40.4347 -9.8079 56.9417 -9.80792 10.2789 -52.0466 56.9418 -52.0467 9.49289 GPRESSAVG: 3120600 -40.0126 -9.2115 56.1486 -10.6884 8.9882 -50.9955 55.993 -50.5766 10.1249 TIMING: 3120600 CPU: 9855.66, 0.00319182/step Wall: 9855.66, 0.00319182/step, 1.66631 hours remaining, 235.394531 MB of memory in use. ENERGY: 3120600 4029.4827 20337.2933 14426.5878 236.3074 -203411.7964 2685.1145 0.0000 0.0000 52060.4776 -109636.5331 299.1923 -161697.0107 -109265.7465 298.7609 59.3291 93.8161 760543.2824 -6.8877 -6.9665 PRESSURE: 3120800 -13.373 -66.317 -156.444 -66.317 18.0764 -110.46 -156.444 -110.46 -229.401 GPRESSURE: 3120800 -32.5833 -88.2057 -142.833 -83.5163 83.2018 -63.5852 -188.13 -93.8346 -201.819 PRESSAVG: 3120800 13.2716 -8.29942 51.4682 -8.29945 -25.7075 14.7895 51.4681 14.7894 11.0015 GPRESSAVG: 3120800 13.0012 -8.09405 50.3453 -7.85964 -24.6623 14.2248 52.073 12.2012 10.3402 TIMING: 3120800 CPU: 9856.29, 0.00316845/step Wall: 9856.29, 0.00316845/step, 1.65393 hours remaining, 235.394531 MB of memory in use. ENERGY: 3120800 3990.3414 20597.2018 14306.1447 246.9135 -203343.2052 2538.7914 0.0000 0.0000 52091.5664 -109572.2460 299.3709 -161663.8124 -109215.3517 299.0060 -74.8993 -50.4000 760857.6401 -0.4782 -0.4403 PRESSURE: 3121000 -226.987 92.8545 102.474 92.8547 108.621 -62.5254 102.473 -62.5265 93.0373 GPRESSURE: 3121000 -153.623 197.399 118.655 -23.6772 86.119 -54.0292 39.7648 -28.719 112.498 PRESSAVG: 3121000 15.478 -45.6191 -38.6003 -45.6191 40.0704 -63.2983 -38.6003 -63.2984 30.0903 GPRESSAVG: 3121000 14.7676 -44.958 -36.8766 -47.1014 41.0958 -63.2221 -38.584 -63.6139 29.5515 TIMING: 3121000 CPU: 9856.93, 0.00317886/step Wall: 9856.93, 0.00317886/step, 1.65919 hours remaining, 235.394531 MB of memory in use. ENERGY: 3121000 3955.8837 20560.7494 14356.1187 249.2347 -203476.6199 2693.6743 0.0000 0.0000 51911.7154 -109749.2437 298.3373 -161660.9590 -109387.1826 298.5545 -8.4429 14.9979 760685.1677 28.5462 28.4717 PRESSURE: 3121200 -145.118 -186.616 46.7283 -186.616 -247.002 30.1967 46.7284 30.1964 31.0056 GPRESSURE: 3121200 -21.7132 -169.522 84.9467 -37.0949 -305.994 42.374 75.4724 -8.42428 57.5489 PRESSAVG: 3121200 7.73976 -15.1986 26.598 -15.1986 -8.74598 -54.8964 26.5981 -54.8964 -8.78325 GPRESSAVG: 3121200 8.92455 -17.3794 25.822 -12.377 -10.1655 -54.6732 26.1362 -51.9243 -7.70523 TIMING: 3121200 CPU: 9857.56, 0.0031732/step Wall: 9857.56, 0.0031732/step, 1.65606 hours remaining, 235.394531 MB of memory in use. ENERGY: 3121200 3947.8068 20530.4510 14348.8695 244.5088 -203220.3283 2561.7773 0.0000 0.0000 51857.4568 -109729.4583 298.0255 -161586.9151 -109381.4134 298.6129 -120.3717 -90.0528 761892.7611 -3.2632 -2.9821 PRESSURE: 3121400 -87.564 -91.6632 -222.834 -91.6635 -57.1088 318.309 -222.834 318.309 -280.851 GPRESSURE: 3121400 13.2235 -109.821 -323.94 -99.3968 -74.8241 192.454 -245.937 241.85 -273.605 PRESSAVG: 3121400 -1.34882 -27.3271 20.5417 -27.3271 -5.55059 4.34455 20.5417 4.34459 5.07891 GPRESSAVG: 3121400 -1.28912 -24.3857 19.8102 -27.0259 -4.54211 2.8669 21.2454 1.22229 4.19597 TIMING: 3121400 CPU: 9858.2, 0.0031732/step Wall: 9858.2, 0.0031732/step, 1.65588 hours remaining, 235.394531 MB of memory in use. ENERGY: 3121400 4000.7724 20456.3422 14365.9890 262.2081 -203179.1945 2236.7848 0.0000 0.0000 52248.3551 -109608.7430 300.2720 -161857.0980 -109239.4298 298.6935 -141.8414 -111.7353 761298.0694 -0.6068 -0.5451 PRESSURE: 3121600 -88.9114 -36.7309 100.028 -36.7317 -6.32788 169.69 100.028 169.689 251.704 GPRESSURE: 3121600 -117.89 -16.1371 126.823 -84.2774 160.534 165.156 19.471 200.049 194.215 PRESSAVG: 3121600 -33.5488 -20.8778 -34.184 -20.8778 36.3142 36.5624 -34.184 36.5624 -14.1195 GPRESSAVG: 3121600 -33.4799 -23.4124 -34.4085 -22.65 35.6153 38.745 -34.5224 37.1252 -13.5899 TIMING: 3121600 CPU: 9858.83, 0.00316295/step Wall: 9858.83, 0.00316295/step, 1.65036 hours remaining, 235.394531 MB of memory in use. ENERGY: 3121600 3934.8493 20337.9140 14360.3759 260.8995 -203790.2825 2819.2811 0.0000 0.0000 52274.1123 -109802.8503 300.4200 -162076.9626 -109438.3439 299.0989 52.1550 78.9532 761001.0492 -3.7847 -3.8182 PRESSURE: 3121800 39.5323 52.1932 203.222 52.1928 -268.343 18.5118 203.221 18.5112 -172.116 GPRESSURE: 3121800 -7.88193 106.249 224.785 -2.65142 -181.124 93.0013 181.679 -10.1692 -133.686 PRESSAVG: 3121800 -41.466 -26.6435 5.3019 -26.6435 57.361 6.65212 5.30187 6.65208 12.4146 GPRESSAVG: 3121800 -42.3929 -26.525 7.47094 -26.1438 58.2627 6.34501 5.87935 8.25777 11.9857 TIMING: 3121800 CPU: 9859.46, 0.00316908/step Wall: 9859.46, 0.00316908/step, 1.65338 hours remaining, 235.394531 MB of memory in use. ENERGY: 3121800 3977.4598 20417.7413 14387.7894 244.4387 -203504.0829 2562.2503 0.0000 0.0000 52210.3839 -109704.0196 300.0538 -161914.4035 -109353.0474 299.2520 -133.6423 -107.5639 762463.6055 9.4365 9.2852 PRESSURE: 3122000 140.058 -29.4279 -116.276 -29.4286 302.134 2.57249 -116.277 2.57228 -348.887 GPRESSURE: 3122000 139.003 19.648 -140.332 -67.8236 284.066 -28.4376 1.89338 -33.9663 -237.094 PRESSAVG: 3122000 7.57846 -21.0764 46.4614 -21.0765 -38.0312 27.4458 46.4614 27.4459 -22.5738 GPRESSAVG: 3122000 6.74944 -20.0888 46.3664 -21.8314 -38.187 28.4395 46.9539 28.4355 -22.4125 TIMING: 3122000 CPU: 9860.1, 0.00317367/step Wall: 9860.1, 0.00317367/step, 1.6556 hours remaining, 235.394531 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: 3122000 4047.3174 20481.9096 14438.8744 242.7232 -203399.5997 2599.5985 0.0000 0.0000 51860.2528 -109728.9239 298.0416 -161589.1767 -109373.3878 298.4815 31.1018 61.9917 760148.6116 -17.6755 -17.9500 PRESSURE: 3122200 -15.2334 -58.263 155.634 -58.2626 35.7487 76.2088 155.633 76.2083 -137.328 GPRESSURE: 3122200 6.84751 -48.5354 131.259 -110.467 125.092 90.2042 166.704 82.1596 -167.481 PRESSAVG: 3122200 -24.9736 -40.4657 9.28366 -40.4657 56.3453 -11.9572 9.28368 -11.9573 -0.991493 GPRESSAVG: 3122200 -24.2699 -40.1096 9.53397 -40.0204 55.773 -13.7614 9.5357 -13.0676 -1.5516 TIMING: 3122200 CPU: 9860.74, 0.00318385/step Wall: 9860.74, 0.00318385/step, 1.66073 hours remaining, 235.394531 MB of memory in use. ENERGY: 3122200 3916.0389 20591.2968 14393.7014 252.3171 -203570.8062 2633.4569 0.0000 0.0000 51925.6448 -109858.3502 298.4174 -161783.9950 -109501.9143 298.5904 -38.9375 -11.8471 760976.6428 10.1268 9.9839 PRESSURE: 3122400 109.269 3.62376 63.3906 3.62422 -64.5231 119.784 63.3899 119.783 -54.3598 GPRESSURE: 3122400 162.721 34.2262 71.8567 -55.2938 -20.2583 61.9686 28.3696 104.984 -55.5891 PRESSAVG: 3122400 -15.8275 -44.4026 21.6839 -44.4026 34.8974 -33.4535 21.6839 -33.4535 -3.34914 GPRESSAVG: 3122400 -14.8643 -44.9868 22.3099 -45.3616 35.1642 -32.7536 19.4117 -35.2245 -3.96359 TIMING: 3122400 CPU: 9861.37, 0.00314997/step Wall: 9861.37, 0.00314997/step, 1.64288 hours remaining, 235.394531 MB of memory in use. ENERGY: 3122400 4008.2467 20413.7935 14391.8420 278.7378 -203564.8167 2727.5048 0.0000 0.0000 51902.2725 -109842.4195 298.2831 -161744.6920 -109495.9431 298.1335 -3.2045 28.9578 761910.6357 5.2402 5.4454 PRESSURE: 3122600 68.1227 63.2419 31.1725 63.2426 102.389 156.101 31.1726 156.101 -128.837 GPRESSURE: 3122600 28.8032 -11.6337 15.0589 109.713 147.331 69.2207 13.8473 133.074 -41.5772 PRESSAVG: 3122600 8.49881 -23.051 -11.5955 -23.051 -0.0265589 16.7975 -11.5955 16.7975 -16.97 GPRESSAVG: 3122600 7.0044 -24.1743 -13.8192 -22.5741 -0.249164 16.1257 -10.5798 17.4672 -15.7255 TIMING: 3122600 CPU: 9861.99, 0.00314362/step Wall: 9861.99, 0.00314362/step, 1.6394 hours remaining, 235.394531 MB of memory in use. ENERGY: 3122600 3979.0912 20416.8586 14395.1445 251.8374 -203415.7317 2622.1506 0.0000 0.0000 51966.9249 -109783.7243 298.6546 -161750.6493 -109419.7106 298.4389 13.8918 44.8525 761115.9205 -2.8326 -2.9901 PRESSURE: 3122800 34.9083 -263.7 52.9306 -263.7 -252.146 229.709 52.9311 229.708 201.398 GPRESSURE: 3122800 34.4651 -153.698 130.917 -176.062 -95.71 214.689 87.763 206.509 116.401 PRESSAVG: 3122800 -13.0527 -7.19326 -27.5222 -7.19327 15.6171 14.192 -27.5222 14.192 -5.64113 GPRESSAVG: 3122800 -12.9175 -7.26488 -26.9973 -4.12609 15.9667 15.9417 -25.9554 15.437 -5.39534 TIMING: 3122800 CPU: 9862.62, 0.00313905/step Wall: 9862.62, 0.00313905/step, 1.63684 hours remaining, 235.394531 MB of memory in use. ENERGY: 3122800 4026.4305 20404.0154 14455.0179 262.0952 -203265.8039 2609.8650 0.0000 0.0000 51960.9550 -109547.4249 298.6203 -161508.3799 -109184.4042 298.8126 -5.2797 18.3853 762384.4175 -1.0256 -0.7821 PRESSURE: 3123000 -150.301 -89.0741 160.264 -89.0739 -96.7511 224.267 160.264 224.267 281.906 GPRESSURE: 3123000 -48.7851 31.9949 234.544 -75.8169 -58.5972 231.571 124.201 32.5042 228.754 PRESSAVG: 3123000 -17.3014 -49.52 -3.1879 -49.5201 28.9439 2.39301 -3.1879 2.39297 -9.07768 GPRESSAVG: 3123000 -16.2242 -47.0368 -2.83904 -52.3187 28.8123 2.02648 -3.57915 1.59866 -9.856 TIMING: 3123000 CPU: 9863.26, 0.00318163/step Wall: 9863.26, 0.00318163/step, 1.65887 hours remaining, 235.394531 MB of memory in use. ENERGY: 3123000 3979.6108 20512.9593 14391.5521 232.8742 -203118.7340 2629.6227 0.0000 0.0000 52043.2651 -109328.8499 299.0934 -161372.1149 -108974.2237 298.9717 11.6178 40.4571 762246.7611 0.8549 0.9107 PRESSURE: 3123200 -3.76195 -46.3438 -34.6576 -46.343 193.165 -116.707 -34.6572 -116.706 633.694 GPRESSURE: 3123200 90.5011 -100.247 3.56651 22.5961 235.602 -53.919 -185.561 -136.104 585.527 PRESSAVG: 3123200 17.3515 -39.0918 -16.4681 -39.0917 12.388 14.605 -16.4681 14.605 19.0173 GPRESSAVG: 3123200 17.6267 -38.7345 -15.3538 -39.5726 11.8343 14.7073 -18.718 13.4415 19.0997 TIMING: 3123200 CPU: 9863.89, 0.00317494/step Wall: 9863.89, 0.00317494/step, 1.6552 hours remaining, 235.394531 MB of memory in use. ENERGY: 3123200 4018.9080 20251.0953 14366.8422 238.3984 -203710.3738 3061.2862 0.0000 0.0000 52479.1993 -109294.6444 301.5987 -161773.8437 -108924.5305 299.3961 274.3657 303.8769 760843.4696 16.2523 16.1869 PRESSURE: 3123400 -129.845 102.879 -26.3464 102.879 -149.072 -54.5428 -26.3459 -54.5419 221.978 GPRESSURE: 3123400 -111.935 233.181 36.681 9.80348 -98.1435 -41.531 53.2954 -78.4161 257.765 PRESSAVG: 3123400 -43.1036 -18.3917 -33.1751 -18.3916 30.3827 -20.3925 -33.1752 -20.3926 2.31077 GPRESSAVG: 3123400 -43.836 -19.1689 -34.0383 -18.643 30.7216 -20.4104 -32.0666 -19.3631 3.22407 TIMING: 3123400 CPU: 9864.52, 0.00314833/step Wall: 9864.52, 0.00314833/step, 1.64115 hours remaining, 235.394531 MB of memory in use. ENERGY: 3123400 3959.9872 20337.1506 14397.6936 253.8881 -203082.1283 2639.7467 0.0000 0.0000 51882.1183 -109611.5438 298.1672 -161493.6621 -109250.1713 299.2125 -18.9798 15.8953 761865.2912 -3.4700 -3.2968 PRESSURE: 3123600 -29.1419 -12.349 -164.613 -12.3491 76.8465 2.28721 -164.613 2.28616 -177.342 GPRESSURE: 3123600 18.2159 20.7901 -176.384 -81.4027 100.933 -116.744 -236.25 140.881 -167.533 PRESSAVG: 3123600 -50.0167 -16.3726 -1.22691 -16.3726 37.0798 -0.234199 -1.22694 -0.234218 -2.73453 GPRESSAVG: 3123600 -49.3235 -17.9238 -1.17709 -16.0293 36.4544 0.0902465 -0.79686 0.15528 -3.01836 TIMING: 3123600 CPU: 9865.16, 0.00318516/step Wall: 9865.16, 0.00318516/step, 1.66018 hours remaining, 235.394531 MB of memory in use. ENERGY: 3123600 3946.2330 20531.4269 14517.9136 241.5686 -202817.5467 2458.5176 0.0000 0.0000 51775.1299 -109346.7571 297.5524 -161121.8870 -108994.0348 298.6183 -43.2126 -16.1280 761389.3028 -5.2238 -5.2958 PRESSURE: 3123800 -63.5476 136.874 368.458 136.874 -269.636 33.3978 368.457 33.3974 232.65 GPRESSURE: 3123800 -30.4205 82.4497 308.743 45.929 -217.861 84.2608 423.763 -20.6393 241.18 PRESSAVG: 3123800 6.61344 -34.8174 54.6928 -34.8174 -10.0999 1.19784 54.6928 1.19774 10.2113 GPRESSAVG: 3123800 6.04819 -32.9636 53.2467 -35.0692 -10.5933 -0.640751 54.5373 0.596543 10.8057 TIMING: 3123800 CPU: 9865.79, 0.00315918/step Wall: 9865.79, 0.00315918/step, 1.64646 hours remaining, 235.394531 MB of memory in use. ENERGY: 3123800 3982.3796 20459.7269 14423.4964 244.7369 -202958.8797 2381.3920 0.0000 0.0000 52001.9303 -109465.2178 298.8558 -161467.1481 -109100.9400 299.5249 -33.5112 -2.3672 761802.1156 2.2416 2.0869 PRESSURE: 3124000 -66.5599 53.0464 23.4994 53.0463 132.308 -49.9964 23.499 -49.9967 62.4718 GPRESSURE: 3124000 -134.53 34.1497 105.767 65.1759 276.007 -26.9737 52.0046 -131.262 69.6012 PRESSAVG: 3124000 18.446 -33.774 79.7175 -33.7739 15.4447 -22.9816 79.7174 -22.9817 3.37687 GPRESSAVG: 3124000 17.7369 -33.9235 80.1004 -33.4582 16.5211 -20.9554 78.0874 -23.5772 2.95093 TIMING: 3124000 CPU: 9866.43, 0.00316934/step Wall: 9866.43, 0.00316934/step, 1.65158 hours remaining, 235.394531 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: 3124000 3974.8610 20593.1868 14407.2108 250.7363 -203155.3929 2497.4173 0.0000 0.0000 52087.9554 -109344.0253 299.3502 -161431.9807 -108982.5752 299.2656 42.7398 70.3592 761592.8070 12.4225 12.4030 PRESSURE: 3124200 -214.823 88.5101 101.269 88.5105 288.745 263.15 101.268 263.151 292.694 GPRESSURE: 3124200 -130.21 73.3327 43.4399 113.397 225.755 218.883 237.842 181.355 343.855 PRESSAVG: 3124200 8.2158 -40.615 3.69703 -40.615 36.1917 -27.5209 3.69708 -27.5208 8.98514 GPRESSAVG: 3124200 8.25225 -39.979 4.0416 -40.5509 36.2559 -28.5369 6.08807 -27.3128 8.6804 TIMING: 3124200 CPU: 9867.06, 0.00318655/step Wall: 9867.06, 0.00318655/step, 1.66037 hours remaining, 235.394531 MB of memory in use. ENERGY: 3124200 3854.2653 20552.1436 14460.8881 266.5931 -203038.7963 2650.6430 0.0000 0.0000 51975.9669 -109278.2962 298.7066 -161254.2631 -108917.8313 300.0025 122.2056 146.4667 761325.9471 17.7976 17.7295 LDB: ============= START OF LOAD BALANCING ============== 9879.6 LDB: ============== END OF LOAD BALANCING =============== 9879.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9879.6 LDB: ============= START OF LOAD BALANCING ============== 9879.91 LDB: Largest compute 7076 load 0.032685 is 16.7% of average load 0.195701 LDB: Average compute 0.004357 is 2.2% of average load 0.195701 LDB: TIME 9879.92 LOAD: AVG 0.195701 MAX 0.215726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 9879.92 LOAD: AVG 0.195701 MAX 0.215726 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 9879.92 LOAD: AVG 0.195701 MAX 0.215726 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 9879.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9879.93 PRESSURE: 3124400 63.4085 -86.6257 34.3301 -86.6257 -149.681 -19.4143 34.3302 -19.4154 434.608 GPRESSURE: 3124400 174.131 -7.71537 21.5117 -34.3792 -55.8862 -10.4023 51.2371 -29.4838 315.174 PRESSAVG: 3124400 -38.421 -28.7739 0.946798 -28.7739 50.1556 -5.45068 0.94676 -5.45069 12.1824 GPRESSAVG: 3124400 -37.9989 -32.3421 2.1273 -26.8386 49.9817 -5.25101 -1.54314 -4.46309 11.6936 TIMING: 3124400 CPU: 9867.71, 0.00323154/step Wall: 9867.71, 0.00323154/step, 1.68363 hours remaining, 236.164062 MB of memory in use. ENERGY: 3124400 4022.1566 20586.1203 14331.9544 249.3157 -202727.1315 2361.8604 0.0000 0.0000 51884.3545 -109291.3696 298.1801 -161175.7240 -108923.9554 299.8681 116.1121 144.4730 761213.9487 7.9723 7.8921 PRESSURE: 3124600 -399.354 137.494 -165.928 137.494 -3.93388 87.9525 -165.928 87.9545 -135.758 GPRESSURE: 3124600 -415.707 152.059 -213.525 146.514 54.0119 34.5169 -215.102 130.969 -76.1343 PRESSAVG: 3124600 -49.9419 -42.1569 21.2053 -42.1569 65.1007 6.32678 21.2053 6.32675 -9.80176 GPRESSAVG: 3124600 -48.8813 -40.8645 20.5197 -41.1183 63.5216 5.91235 23.0128 7.20088 -8.97518 TIMING: 3124600 CPU: 9868.34, 0.0031623/step Wall: 9868.34, 0.0031623/step, 1.64738 hours remaining, 236.164062 MB of memory in use. ENERGY: 3124600 3978.5264 20517.0042 14446.1612 255.5410 -202966.2193 2494.7173 0.0000 0.0000 52182.5062 -109091.7631 299.8936 -161274.2693 -108728.3697 299.8006 -179.6818 -145.9431 762276.8221 1.7857 1.8884 PRESSURE: 3124800 -306.804 21.4988 -248.141 21.4986 103.312 -117.457 -248.141 -117.456 124.521 GPRESSURE: 3124800 -264.005 -89.5195 -239.279 156.213 107.549 -88.4921 -148.359 -2.28195 152.952 PRESSAVG: 3124800 -25.131 -75.7221 12.3746 -75.7221 26.3365 14.4335 12.3747 14.4335 16.1958 GPRESSAVG: 3124800 -26.2046 -75.9363 13.9785 -77.0201 27.9339 13.5103 11.7631 13.6711 15.8131 TIMING: 3124800 CPU: 9868.97, 0.00315186/step Wall: 9868.97, 0.00315186/step, 1.64177 hours remaining, 236.164062 MB of memory in use. ENERGY: 3124800 3973.9724 20631.7627 14343.3745 251.3962 -203033.1140 2753.0837 0.0000 0.0000 52166.4465 -108913.0779 299.8013 -161079.5244 -108544.0311 300.2411 -26.3238 -1.1682 762935.4449 5.8004 5.8475 PRESSURE: 3125000 -419.609 73.9347 121.824 73.9358 -235.718 331.961 121.824 331.96 317.657 GPRESSURE: 3125000 -405.18 71.7146 142.301 54.0286 -103.627 319.987 92.3323 436.834 257.29 PRESSAVG: 3125000 -23.2642 -51.6673 72.1463 -51.6673 1.04924 7.9399 72.1463 7.93986 1.23203 GPRESSAVG: 3125000 -24.6365 -53.1164 71.1685 -53.1173 2.25287 9.46518 73.0218 6.32359 1.09318 TIMING: 3125000 CPU: 9869.6, 0.00315905/step Wall: 9869.6, 0.00315905/step, 1.64534 hours remaining, 236.164062 MB of memory in use. ENERGY: 3125000 3974.3973 20401.3744 14380.9960 276.0618 -202710.9687 2251.6103 0.0000 0.0000 52135.6482 -109290.8807 299.6243 -161426.5289 -108934.5176 299.6917 -112.5567 -83.8392 762506.9712 -6.9943 -7.0968 PRESSURE: 3125200 -113.482 136.217 -40.9052 136.217 74.0329 -95.7428 -40.9053 -95.743 -444.148 GPRESSURE: 3125200 -97.2166 117.559 -133.438 78.1411 19.5113 -77.3402 -128.409 -175.196 -322.947 PRESSAVG: 3125200 -96.548 -77.814 19.9372 -77.814 92.6524 -10.96 19.9372 -10.96 4.77143 GPRESSAVG: 3125200 -95.3315 -77.1032 18.7697 -77.7987 91.3544 -10.1614 18.4148 -11.3754 5.32307 TIMING: 3125200 CPU: 9870.23, 0.00315517/step Wall: 9870.23, 0.00315517/step, 1.64314 hours remaining, 236.164062 MB of memory in use. ENERGY: 3125200 3992.3147 20578.8540 14377.6378 236.6983 -203031.0906 2686.4617 0.0000 0.0000 52018.7881 -109140.3360 298.9527 -161159.1241 -108780.9975 299.3511 -161.1991 -133.5508 762503.1476 0.2919 0.4486 PRESSURE: 3125400 -68.8707 -331.449 101.01 -331.448 199.808 -52.7288 101.01 -52.729 282.767 GPRESSURE: 3125400 5.37362 -231.099 115.953 -228.918 231.235 6.20521 176.339 50.604 272.099 PRESSAVG: 3125400 -40.8809 -22.9328 9.7474 -22.9329 105.748 13.707 9.74744 13.7069 5.56008 GPRESSAVG: 3125400 -40.7059 -20.7949 12.286 -23.5727 105.637 13.086 10.7033 15.7313 5.23587 TIMING: 3125400 CPU: 9870.87, 0.0031748/step Wall: 9870.87, 0.0031748/step, 1.65319 hours remaining, 236.367188 MB of memory in use. ENERGY: 3125400 3983.5588 20611.2585 14412.7094 257.6537 -203363.5152 2785.9664 0.0000 0.0000 52403.2984 -108909.0701 301.1625 -161312.3685 -108552.8836 299.6353 137.9013 169.5694 760564.8164 23.4757 23.3890 PRESSURE: 3125600 201.519 159.135 27.7404 159.135 6.21193 210.063 27.7403 210.062 117.638 GPRESSURE: 3125600 260.683 222.897 -6.67266 64.244 -13.7006 182.614 -34.6466 221.966 169.56 PRESSAVG: 3125600 -54.1867 -42.542 5.98542 -42.5419 24.7125 88.3886 5.98541 88.3887 -3.9974 GPRESSAVG: 3125600 -53.3113 -45.2041 5.35174 -40.4753 24.7198 88.363 5.27618 87.3875 -5.10163 TIMING: 3125600 CPU: 9871.5, 0.00316451/step Wall: 9871.5, 0.00316451/step, 1.64765 hours remaining, 236.367188 MB of memory in use. ENERGY: 3125600 3973.7833 20644.8741 14410.8368 247.8149 -203529.5413 2921.0222 0.0000 0.0000 52314.0315 -109017.1785 300.6495 -161331.2100 -108646.8546 299.9994 108.4564 138.8475 761439.8693 -11.1572 -11.2310 PRESSURE: 3125800 -206.211 6.94586 -221.467 6.94665 -269.746 -34.0354 -221.466 -34.0349 -395.419 GPRESSURE: 3125800 -221.779 7.55868 -148.852 37.7026 -231.487 79.5476 -140.146 -79.674 -327.099 PRESSAVG: 3125800 -14.8111 -13.9398 -10.1704 -13.9399 5.6787 39.3039 -10.1705 39.3039 -1.14388 GPRESSAVG: 3125800 -16.2153 -11.6833 -10.8129 -15.02 5.82675 40.3764 -7.92012 38.6227 0.506242 TIMING: 3125800 CPU: 9872.14, 0.00317308/step Wall: 9872.14, 0.00317308/step, 1.65194 hours remaining, 236.367188 MB of memory in use. ENERGY: 3125800 4060.3794 20572.3600 14465.3754 241.5292 -202922.0203 2668.9356 0.0000 0.0000 51991.8839 -108921.5569 298.7981 -160913.4407 -108561.3674 299.9564 -290.4586 -260.1217 762694.7698 -3.4254 -3.2941 PRESSURE: 3126000 -245.929 -182.547 95.8192 -182.547 -454.59 -258.879 95.8187 -258.879 11.8605 GPRESSURE: 3126000 -78.9961 -180.873 125.752 -169.849 -437.647 -329.631 28.6323 -134.57 -87.2475 PRESSAVG: 3126000 -64.4297 -31.1403 -21.8386 -31.1403 27.2331 41.1796 -21.8386 41.1795 -13.417 GPRESSAVG: 3126000 -64.6408 -32.4497 -20.3452 -30.7272 28.4562 40.1725 -23.5561 42.1342 -14.5561 TIMING: 3126000 CPU: 9872.77, 0.00318695/step Wall: 9872.77, 0.00318695/step, 1.65898 hours remaining, 236.367188 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: 3126000 4110.4870 20627.7758 14399.8814 235.5875 -203071.0413 2563.0614 0.0000 0.0000 52124.2532 -109009.9951 299.5588 -161134.2482 -108654.5292 300.1684 -229.5528 -201.2968 762866.6611 -16.8712 -16.9135 PRESSURE: 3126200 -146.105 -10.5395 -0.582721 -10.5393 264.204 201.907 -0.58296 201.907 229.349 GPRESSURE: 3126200 -217.087 -67.9386 56.8283 108.253 344.103 134.453 18.3893 143.407 292.683 PRESSAVG: 3126200 -88.3473 -16.0926 44.4987 -16.0926 78.787 33.678 44.4987 33.678 -12.5469 GPRESSAVG: 3126200 -87.7378 -15.793 41.7356 -15.0958 77.4961 34.9324 44.9833 33.0551 -12.116 TIMING: 3126200 CPU: 9873.41, 0.00315936/step Wall: 9873.41, 0.00315936/step, 1.64445 hours remaining, 236.367188 MB of memory in use. ENERGY: 3126200 3959.7433 20602.1294 14401.6587 256.8216 -203259.5763 2688.3335 0.0000 0.0000 52146.0389 -109204.8509 299.6840 -161350.8898 -108838.8856 299.8439 115.8159 139.8997 760871.2747 -7.3690 -7.4526 PRESSURE: 3126400 -224.77 129.907 -63.1135 129.907 -349.808 143.399 -63.1147 143.398 -34.013 GPRESSURE: 3126400 -203.257 190.237 5.81428 -11.9781 -286.302 143.15 -249.223 92.4803 -52.9556 PRESSAVG: 3126400 -55.3106 -20.7548 50.9054 -20.7547 9.91271 20.5542 50.9054 20.5542 13.73 GPRESSAVG: 3126400 -55.8375 -19.2645 52.6629 -21.9815 10.2405 19.3539 50.6801 19.3079 13.4164 TIMING: 3126400 CPU: 9874.04, 0.00316842/step Wall: 9874.04, 0.00316842/step, 1.64898 hours remaining, 236.367188 MB of memory in use. ENERGY: 3126400 4024.3996 20622.8555 14409.5186 246.1662 -202776.6399 2247.9715 0.0000 0.0000 52059.7918 -109165.9367 299.1883 -161225.7285 -108803.6151 299.2384 -202.8636 -180.8380 763300.3922 -10.5560 -10.7269 PRESSURE: 3126600 -180.073 7.76807 99.9162 7.76731 199.648 94.9938 99.9165 94.9947 -118.76 GPRESSURE: 3126600 -117.715 -161.297 92.0007 52.3248 243.109 115.966 146.328 72.7494 -112.858 PRESSAVG: 3126600 -67.4568 -47.7853 22.5489 -47.7853 61.9509 31.3669 22.5489 31.3669 4.27113 GPRESSAVG: 3126600 -66.8651 -50.5392 23.8908 -46.1429 62.3004 33.1344 22.8055 33.1679 3.6928 TIMING: 3126600 CPU: 9874.67, 0.00317169/step Wall: 9874.67, 0.00317169/step, 1.65051 hours remaining, 236.433594 MB of memory in use. ENERGY: 3126600 3994.2524 20427.8157 14391.9704 223.2110 -203202.2015 2563.0629 0.0000 0.0000 52305.2186 -109296.6704 300.5988 -161601.8890 -108925.3802 299.0821 -33.0615 4.1785 761990.8911 -0.4116 -0.2907 PRESSURE: 3126800 -192.194 23.1547 262.054 23.1548 37.4591 83.773 262.055 83.7722 233.817 GPRESSURE: 3126800 -153.313 -171.77 267.719 24.0171 126.93 59.6745 182.879 84.523 200.544 PRESSAVG: 3126800 -50.0911 -55.3689 -2.61414 -55.3687 79.7965 -5.62411 -2.61416 -5.62424 -19.0267 GPRESSAVG: 3126800 -51.7957 -52.5707 -3.98438 -57.8253 81.2123 -7.41476 -2.21785 -4.66168 -18.4387 TIMING: 3126800 CPU: 9875.31, 0.00316416/step Wall: 9875.31, 0.00316416/step, 1.64642 hours remaining, 236.433594 MB of memory in use. ENERGY: 3126800 3943.4417 20417.0839 14459.2054 248.2961 -203035.1970 2485.3577 0.0000 0.0000 52032.0290 -109449.7832 299.0288 -161481.8123 -109081.5185 299.2679 26.3610 58.0535 762134.0766 3.5596 3.6593 PRESSURE: 3127000 -143.377 -114.579 -97.8603 -114.579 -69.477 -58.2007 -97.8613 -58.2013 215.774 GPRESSURE: 3127000 -59.1155 -0.186127 -34.9728 -191.256 -45.2694 -94.7028 -126.333 -191.985 214.262 PRESSAVG: 3127000 -30.3433 -26.933 22.5509 -26.9331 33.7856 40.0297 22.5509 40.0297 -14.784 GPRESSAVG: 3127000 -29.1928 -25.9258 23.0885 -27.5872 32.665 40.448 22.3712 37.199 -15.3903 TIMING: 3127000 CPU: 9875.94, 0.00316021/step Wall: 9875.94, 0.00316021/step, 1.64419 hours remaining, 236.433594 MB of memory in use. ENERGY: 3127000 4060.9624 20487.3645 14453.0046 269.2803 -202801.9349 2238.7094 0.0000 0.0000 51920.2830 -109372.3306 298.3866 -161292.6137 -109017.0461 299.5057 0.9733 36.6258 763737.4455 -3.7806 -3.9727 PRESSURE: 3127200 -163.373 42.1915 -30.4429 42.1917 -26.4561 -3.09874 -30.4429 -3.09861 298.676 GPRESSURE: 3127200 -53.4624 -29.0558 15.8697 -39.7634 -35.118 56.6203 27.9586 -20.6879 273.562 PRESSAVG: 3127200 3.65081 27.8092 -5.90543 27.8092 -18.6023 -43.2412 -5.90543 -43.2411 -12.9361 GPRESSAVG: 3127200 4.74052 25.0055 -5.49346 30.7891 -18.8677 -43.2514 -7.02299 -41.3476 -13.4731 TIMING: 3127200 CPU: 9876.57, 0.00314603/step Wall: 9876.57, 0.00314603/step, 1.63664 hours remaining, 236.433594 MB of memory in use. ENERGY: 3127200 3969.3231 20677.1989 14435.3676 220.1160 -203131.6640 2570.3878 0.0000 0.0000 52142.3530 -109116.9176 299.6628 -161259.2706 -108759.8790 299.9026 36.2825 61.6604 763096.7129 -9.2958 -9.2001 PRESSURE: 3127400 240.644 98.6026 145.805 98.6024 293.53 91.1539 145.805 91.1547 18.6063 GPRESSURE: 3127400 314.185 145.495 129.64 107.11 259.973 105.803 88.922 68.1713 71.4297 PRESSAVG: 3127400 -2.79827 -41.8299 9.81253 -41.8299 -12.517 -1.83822 9.81252 -1.83821 2.02207 GPRESSAVG: 3127400 -3.66598 -41.9927 8.36966 -43.0787 -13.805 -1.51076 10.696 -3.41749 3.66755 TIMING: 3127400 CPU: 9877.2, 0.00316542/step Wall: 9877.2, 0.00316542/step, 1.64654 hours remaining, 236.421875 MB of memory in use. ENERGY: 3127400 4011.2038 20628.5987 14410.1666 235.8873 -203422.9623 2758.1554 0.0000 0.0000 52224.0192 -109154.9313 300.1322 -161378.9505 -108798.8722 299.9102 184.2602 215.1960 762482.2214 -4.4311 -4.6011 PRESSURE: 3127600 -340.977 -164.012 138.744 -164.011 21.8505 99.3829 138.744 99.3846 223.871 GPRESSURE: 3127600 -256.088 -65.3321 162.932 -19.0026 55.6062 69.856 132.164 48.9675 162.818 PRESSAVG: 3127600 -36.7257 -5.89462 43.6929 -5.89461 43.6916 -1.06912 43.693 -1.06908 -3.4187 GPRESSAVG: 3127600 -37.0543 -1.98565 43.9116 -6.55174 43.9712 -0.49429 44.5364 -0.686875 -3.91724 TIMING: 3127600 CPU: 9877.83, 0.0031591/step Wall: 9877.83, 0.0031591/step, 1.64309 hours remaining, 236.421875 MB of memory in use. ENERGY: 3127600 3992.5292 20585.6752 14419.1555 239.0026 -203569.7818 2780.0964 0.0000 0.0000 52381.7497 -109171.5732 301.0386 -161553.3229 -108806.9057 300.1334 -31.7517 -12.5545 760499.3459 1.1824 0.9999 PRESSURE: 3127800 -166.819 23.1781 -42.2082 23.1777 99.6519 -158.222 -42.2072 -158.222 211.721 GPRESSURE: 3127800 -44.4824 70.1742 -12.295 20.3023 62.3167 -166.697 -31.7736 -174.941 212.186 PRESSAVG: 3127800 -58.8368 -2.25011 19.6336 -2.25012 13.8079 -19.4318 19.6336 -19.4317 18.0052 GPRESSAVG: 3127800 -59.2136 -3.88733 18.7209 -2.77692 14.5667 -19.0534 21.0044 -21.2005 17.51 TIMING: 3127800 CPU: 9878.47, 0.00318759/step Wall: 9878.47, 0.00318759/step, 1.65772 hours remaining, 236.421875 MB of memory in use. ENERGY: 3127800 4044.9959 20548.5615 14391.3503 248.4344 -203499.1930 2747.0737 0.0000 0.0000 52339.1656 -109179.6116 300.7939 -161518.7772 -108817.7240 299.8214 48.1849 76.6735 759612.4150 -9.0079 -9.0457 PRESSURE: 3128000 -13.1195 119.135 -77.5139 119.135 -280.797 154.787 -77.5135 154.787 145.427 GPRESSURE: 3128000 56.7836 76.4243 -70.3683 154.669 -210.823 180.647 -42.2489 113.464 97.6794 PRESSAVG: 3128000 -6.5088 12.9332 14.024 12.9332 22.9047 -26.5476 14.024 -26.5476 5.38395 GPRESSAVG: 3128000 -5.12179 11.3635 13.8856 14.6741 22.5418 -27.3722 12.6414 -23.5779 4.78951 TIMING: 3128000 CPU: 9879.1, 0.00315978/step Wall: 9879.1, 0.00315978/step, 1.64309 hours remaining, 236.433594 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: 3128000 4061.0539 20489.4838 14387.9205 253.4232 -203342.3455 2557.8996 0.0000 0.0000 52251.9618 -109340.6028 300.2927 -161592.5646 -108981.5005 299.9164 -49.4966 -18.7865 761428.6239 7.2599 7.4032 PRESSURE: 3128200 -72.5442 -36.9513 -123.392 -36.9508 98.0943 -94.9025 -123.393 -94.9024 280.625 GPRESSURE: 3128200 6.78297 -55.0877 -112.321 54.2048 82.2788 -133.401 -125.406 -91.2396 336.146 PRESSAVG: 3128200 -43.4045 -19.3315 -8.88192 -19.3315 41.0407 39.5568 -8.88197 39.5568 -6.45975 GPRESSAVG: 3128200 -45.3203 -18.8179 -8.06114 -17.4573 41.0917 40.7401 -8.338 39.5392 -5.43976 TIMING: 3128200 CPU: 9879.74, 0.00316172/step Wall: 9879.74, 0.00316172/step, 1.64392 hours remaining, 236.433594 MB of memory in use. ENERGY: 3128200 4018.1633 20493.2868 14399.4323 228.7574 -203288.9052 2609.2424 0.0000 0.0000 52043.2719 -109496.7511 299.0934 -161540.0230 -109138.5882 299.0542 102.0583 141.7361 761820.4307 -2.9412 -3.2228 LDB: ============= START OF LOAD BALANCING ============== 9892.27 LDB: ============== END OF LOAD BALANCING =============== 9892.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9892.27 LDB: ============= START OF LOAD BALANCING ============== 9892.59 LDB: Largest compute 7076 load 0.034389 is 17.6% of average load 0.195665 LDB: Average compute 0.004381 is 2.2% of average load 0.195665 LDB: TIME 9892.6 LOAD: AVG 0.195665 MAX 0.215181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.914 MB LDB: TIME 9892.6 LOAD: AVG 0.195665 MAX 0.215181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: TIME 9892.6 LOAD: AVG 0.195665 MAX 0.215181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: ============== END OF LOAD BALANCING =============== 9892.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9892.6 PRESSURE: 3128400 -677.482 185.644 135.642 185.643 -117.638 103.296 135.642 103.296 -88.1314 GPRESSURE: 3128400 -581.631 85.518 135.985 63.0442 -119.257 179.113 88.8112 -74.9418 -98.4258 PRESSAVG: 3128400 -28.7737 -2.82668 13.3827 -2.82662 20.895 4.1784 13.3827 4.17847 16.2697 GPRESSAVG: 3128400 -28.0081 -2.76749 12.9944 -6.70104 20.4222 3.1627 12.919 4.96176 16.0004 TIMING: 3128400 CPU: 9880.39, 0.00326485/step Wall: 9880.39, 0.00326485/step, 1.69736 hours remaining, 234.371094 MB of memory in use. ENERGY: 3128400 4025.4775 20465.0949 14475.4397 257.3278 -203027.8380 2487.9116 0.0000 0.0000 51941.1061 -109375.4805 298.5063 -161316.5866 -109015.3761 299.2281 -294.4174 -266.4378 761991.0590 2.7970 2.8048 PRESSURE: 3128600 79.3314 -84.569 -60.0785 -84.5689 -105.532 -18.9256 -60.0793 -18.926 26.5838 GPRESSURE: 3128600 65.0362 19.4688 -0.719553 -1.116 -68.6387 30.1534 -140.98 -133.873 87.9753 PRESSAVG: 3128600 -48.0691 70.1156 5.05366 70.1157 63.7578 -14.5804 5.05364 -14.5804 -4.00607 GPRESSAVG: 3128600 -47.5801 69.8567 7.2245 72.6303 64.1613 -14.2529 3.18122 -14.1067 -4.83095 TIMING: 3128600 CPU: 9881.02, 0.00316658/step Wall: 9881.02, 0.00316658/step, 1.64609 hours remaining, 234.371094 MB of memory in use. ENERGY: 3128600 3954.8606 20431.9701 14428.3146 250.8356 -202667.1362 2175.0654 0.0000 0.0000 52016.8761 -109409.2140 298.9417 -161426.0900 -109035.2315 299.6977 0.1278 28.1243 761047.8006 3.8942 3.9168 PRESSURE: 3128800 344.677 -31.3372 -78.451 -31.3372 324.535 -27.843 -78.4512 -27.8437 -123.028 GPRESSURE: 3128800 420.679 -109.568 -101.972 -36.6401 321.998 -14.0766 35.4133 -28.1721 -110.702 PRESSAVG: 3128800 -38.7755 -4.90706 -8.99737 -4.90708 45.1367 -29.2542 -8.99736 -29.2541 13.8285 GPRESSAVG: 3128800 -41.1295 -4.77899 -10.0409 -6.92222 45.2584 -30.2545 -8.67186 -30.3787 15.1597 TIMING: 3128800 CPU: 9881.66, 0.00317932/step Wall: 9881.66, 0.00317932/step, 1.65254 hours remaining, 234.371094 MB of memory in use. ENERGY: 3128800 3927.7023 20564.2831 14316.5551 260.3496 -203311.8722 2547.9492 0.0000 0.0000 52114.7417 -109580.2911 299.5041 -161695.0329 -109218.2123 299.5387 182.0615 210.6583 759214.3072 6.7299 6.4295 PRESSURE: 3129000 176.994 -164.133 134.486 -164.132 82.1762 359.807 134.487 359.807 405.81 GPRESSURE: 3129000 264.115 -81.2695 134.143 -260.653 157.942 336.85 4.60048 257.825 325.893 PRESSAVG: 3129000 -33.6653 14.2479 -6.99692 14.2479 47.1619 20.1154 -6.99689 20.1154 -11.1271 GPRESSAVG: 3129000 -32.7744 13.7447 -8.43495 15.7241 46.7924 20.9278 -6.99947 21.2615 -11.6946 TIMING: 3129000 CPU: 9882.29, 0.00318331/step Wall: 9882.29, 0.00318331/step, 1.65444 hours remaining, 234.371094 MB of memory in use. ENERGY: 3129000 3929.9388 20571.6352 14389.1315 244.8682 -203255.7805 2647.8784 0.0000 0.0000 51917.1224 -109555.2061 298.3684 -161472.3285 -109194.4438 299.1922 221.6600 249.3167 760336.8689 0.7898 0.7745 PRESSURE: 3129200 -273.989 10.7028 -321.6 10.7032 151.024 8.35561 -321.601 8.35577 -367.352 GPRESSURE: 3129200 -211.016 69.9429 -241.078 -56.7495 108.618 -92.9379 -353.166 73.2551 -294.43 PRESSAVG: 3129200 -59.9769 67.269 51.0161 67.269 93.69 -38.596 51.016 -38.5961 -9.54531 GPRESSAVG: 3129200 -58.8289 68.4315 51.8714 67.6234 92.9629 -40.0702 50.4437 -37.6151 -10.0933 TIMING: 3129200 CPU: 9882.93, 0.00318115/step Wall: 9882.93, 0.00318115/step, 1.65314 hours remaining, 234.371094 MB of memory in use. ENERGY: 3129200 4025.5692 20318.0614 14409.6693 258.7150 -203486.2774 2661.3969 0.0000 0.0000 52119.0311 -109693.8345 299.5288 -161812.8656 -109322.7682 298.8947 -163.4391 -132.2762 759953.3819 8.0559 8.0136 PRESSURE: 3129400 112.29 101.994 -51.5361 101.994 82.6844 41.1599 -51.5364 41.1613 -59.2602 GPRESSURE: 3129400 179.074 201.795 -115.535 216.335 100.887 37.7644 -17.6582 -102.589 -73.7476 PRESSAVG: 3129400 -57.5121 63.2079 47.1528 63.2078 57.7066 -12.5545 47.1529 -12.5545 6.77671 GPRESSAVG: 3129400 -58.2313 61.9418 46.7219 61.9946 58.1999 -12.8374 48.5475 -14.6424 6.86152 TIMING: 3129400 CPU: 9883.56, 0.00316355/step Wall: 9883.56, 0.00316355/step, 1.64381 hours remaining, 234.371094 MB of memory in use. ENERGY: 3129400 3979.3381 20619.7359 14447.0088 251.7342 -203600.5318 2747.0093 0.0000 0.0000 51913.8960 -109641.8094 298.3499 -161555.7054 -109284.6212 299.4567 45.2381 68.7377 760567.7763 2.3237 2.2767 PRESSURE: 3129600 -359.249 -69.2338 -1.08402 -69.2339 48.1994 -56.4889 -1.08343 -56.4887 -580.293 GPRESSURE: 3129600 -340.726 -42.0396 30.0965 10.0327 -6.32982 -53.4662 39.8003 -169.512 -448.041 PRESSAVG: 3129600 -71.0203 45.5488 28.4119 45.5488 45.9547 -40.752 28.4118 -40.7519 -12.1427 GPRESSAVG: 3129600 -70.266 45.0963 28.2886 44.9685 46.1948 -41.1912 27.6689 -39.6708 -12.2493 TIMING: 3129600 CPU: 9884.19, 0.00315899/step Wall: 9884.19, 0.00315899/step, 1.64127 hours remaining, 234.371094 MB of memory in use. ENERGY: 3129600 3947.3112 20614.5540 14424.7976 267.6660 -203258.6577 2374.0739 0.0000 0.0000 52063.9107 -109566.3444 299.2120 -161630.2551 -109196.3735 299.7609 -297.1141 -265.0323 760942.2263 -12.4028 -12.1068 PRESSURE: 3129800 45.8844 -191.682 57.1754 -191.683 -144.007 -93.6287 57.1751 -93.629 445.677 GPRESSURE: 3129800 33.5927 -147.086 97.8783 -265.092 -57.4064 -256.991 109.234 -84.5122 452.579 PRESSAVG: 3129800 -85.0516 -41.8053 5.00825 -41.8053 96.3233 5.61962 5.00823 5.61969 2.94482 GPRESSAVG: 3129800 -85.8293 -41.0066 4.87051 -39.6602 95.3855 6.13662 4.43717 5.63118 3.99553 TIMING: 3129800 CPU: 9884.83, 0.00317361/step Wall: 9884.83, 0.00317361/step, 1.64869 hours remaining, 234.371094 MB of memory in use. ENERGY: 3129800 4048.2350 20447.6993 14433.3321 250.9142 -203099.0134 2361.5158 0.0000 0.0000 51971.3941 -109585.9229 298.6803 -161557.3170 -109216.1699 299.2400 115.8518 142.9218 759014.2414 4.7388 4.5173 PRESSURE: 3130000 -33.556 314.253 271.748 314.252 188.213 -67.5723 271.748 -67.5724 -299.81 GPRESSURE: 3130000 -1.62826 394.992 218.77 285.851 213.568 64.2768 212.542 -4.44627 -264.164 PRESSAVG: 3130000 14.856 15.5061 103.184 15.506 -16.0177 24.0498 103.184 24.0498 10.7707 GPRESSAVG: 3130000 14.8623 15.6338 102.554 14.3753 -15.6376 26.2039 102.843 21.8368 11.1332 TIMING: 3130000 CPU: 9885.46, 0.00314737/step Wall: 9885.46, 0.00314737/step, 1.63488 hours remaining, 234.371094 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: 3130000 3975.8130 20519.7988 14418.1352 258.7437 -203501.3423 2632.2920 0.0000 0.0000 52090.0629 -109606.4967 299.3623 -161696.5597 -109233.4859 299.6154 -48.3842 -17.4080 759228.8105 3.2030 3.4526 PRESSURE: 3130200 -256.46 -157.864 146.338 -157.865 -245.145 64.9781 146.337 64.9788 357.266 GPRESSURE: 3130200 -82.3144 -124.081 265.138 -54.2771 -270.923 40.719 216.801 -22.981 317.155 PRESSAVG: 3130200 -42.4659 27.5032 35.1241 27.5032 23.5683 -21.5677 35.1241 -21.5677 -16.2445 GPRESSAVG: 3130200 -39.8474 29.1001 34.9278 26.8032 23.2649 -23.1313 37.0415 -20.6691 -17.8719 TIMING: 3130200 CPU: 9886.09, 0.00313855/step Wall: 9886.09, 0.00313855/step, 1.63013 hours remaining, 234.371094 MB of memory in use. ENERGY: 3130200 4001.6198 20556.2434 14475.6107 238.2651 -203462.3231 2579.8282 0.0000 0.0000 52077.6232 -109533.1327 299.2908 -161610.7560 -109162.2304 299.1852 -48.1129 -12.0273 758991.0217 -11.7140 -11.4848 PRESSURE: 3130400 374.075 -17.9633 -45.8716 -17.963 327.898 -71.8507 -45.8721 -71.8516 188.899 GPRESSURE: 3130400 295.643 -73.3869 -31.2472 15.5091 416.893 -93.2533 28.4266 13.8376 251.879 PRESSAVG: 3130400 -12.1673 8.0643 17.9473 8.06437 35.3609 -28.6274 17.9473 -28.6275 11.7802 GPRESSAVG: 3130400 -14.4748 6.64355 21.2942 8.45569 36.3168 -27.7113 15.3157 -29.1764 12.9268 TIMING: 3130400 CPU: 9886.72, 0.0031454/step Wall: 9886.72, 0.0031454/step, 1.63351 hours remaining, 234.371094 MB of memory in use. ENERGY: 3130400 3945.3782 20583.8006 14439.8457 224.8223 -203434.3503 2748.3620 0.0000 0.0000 52023.3524 -109468.7892 298.9789 -161492.1416 -109103.9165 299.4458 296.9572 321.4716 759119.5601 11.6579 11.5896 PRESSURE: 3130600 -128.175 -200.65 -60.7039 -200.651 -113.818 54.349 -60.7037 54.3496 220.829 GPRESSURE: 3130600 -47.4881 -94.898 -100.752 -232.914 -110.849 99.4028 -125.212 26.2706 201.772 PRESSAVG: 3130600 10.0654 -7.18526 9.79625 -7.18524 -4.26568 27.9199 9.79624 27.92 3.51424 GPRESSAVG: 3130600 10.2129 -7.53822 8.50539 -6.5974 -4.35638 28.1422 10.4695 27.362 3.61562 TIMING: 3130600 CPU: 9887.34, 0.00313061/step Wall: 9887.34, 0.00313061/step, 1.62566 hours remaining, 234.371094 MB of memory in use. ENERGY: 3130600 3965.8796 20736.8936 14412.1112 254.7371 -203211.9893 2244.8218 0.0000 0.0000 52079.1112 -109518.4348 299.2994 -161597.5460 -109156.1975 299.0840 -7.0545 14.4783 759644.9917 3.1047 3.1574 PRESSURE: 3130800 -407.56 11.1075 -160.313 11.1082 -23.9992 98.9642 -160.313 98.9651 -206.15 GPRESSURE: 3130800 -313.038 21.2525 -131.163 -81.9324 -101.477 63.4906 -126.857 85.9223 -133.654 PRESSAVG: 3130800 -64.4118 -43.7192 17.911 -43.7192 30.3763 -16.9994 17.911 -16.9994 -0.30023 GPRESSAVG: 3130800 -62.961 -45.1132 16.8781 -45.9869 30.7606 -18.2214 19.1077 -16.4569 -2.01819 TIMING: 3130800 CPU: 9887.97, 0.00314411/step Wall: 9887.97, 0.00314411/step, 1.63249 hours remaining, 234.371094 MB of memory in use. ENERGY: 3130800 3985.9644 20690.8272 14372.7038 241.8120 -203392.0893 2551.0247 0.0000 0.0000 52034.9457 -109514.8116 299.0455 -161549.7573 -109150.0784 298.8364 -212.5698 -182.7227 760696.9572 -11.4452 -11.4062 PRESSURE: 3131000 252.013 -77.0351 30.6724 -77.0351 -22.8856 170.731 30.6719 170.731 202.956 GPRESSURE: 3131000 249.667 -45.2691 31.6021 -8.37141 -33.9955 226.977 262.67 150.606 282.897 PRESSAVG: 3131000 4.53181 -7.63587 3.09768 -7.63586 65.2998 -3.08505 3.09771 -3.08502 5.7589 GPRESSAVG: 3131000 3.34706 -5.1989 3.79445 -5.23561 64.6398 -3.19731 1.76568 -0.529184 7.05159 TIMING: 3131000 CPU: 9888.6, 0.00314208/step Wall: 9888.6, 0.00314208/step, 1.63126 hours remaining, 234.371094 MB of memory in use. ENERGY: 3131000 3975.4862 20597.1230 14464.8028 235.3474 -203523.0419 2533.8160 0.0000 0.0000 51927.7362 -109788.7303 298.4294 -161716.4665 -109434.2393 298.6793 144.0277 166.1897 759580.5091 25.1968 25.0128 PRESSURE: 3131200 -470.373 -253.779 105.148 -253.779 -96.297 -144.763 105.148 -144.761 -284.993 GPRESSURE: 3131200 -378.798 -227.247 107.388 -102.184 -119.632 -75.7547 158.503 -146.26 -277.312 PRESSAVG: 3131200 -35.1732 -25.0878 -25.1678 -25.0878 38.9697 -36.5865 -25.1678 -36.5865 -1.75935 GPRESSAVG: 3131200 -35.7916 -24.6515 -25.278 -25.1349 38.9791 -36.547 -25.1227 -38.6923 -1.75164 TIMING: 3131200 CPU: 9889.23, 0.0031603/step Wall: 9889.23, 0.0031603/step, 1.64054 hours remaining, 234.371094 MB of memory in use. ENERGY: 3131200 4066.2121 20442.1839 14400.9792 252.1943 -203262.8341 2493.9412 0.0000 0.0000 51782.3616 -109824.9620 297.5939 -161607.3236 -109455.4052 298.4572 -283.8879 -258.5808 760008.4449 0.6790 0.4786 PRESSURE: 3131400 -9.64254 28.3447 -113.459 28.3438 -166.59 172.33 -113.459 172.331 -115.339 GPRESSURE: 3131400 -1.26316 -25.4155 -27.9509 -80.7025 -111.506 146.136 -231.682 170.91 -87.6966 PRESSAVG: 3131400 10.5731 -47.8398 -40.8934 -47.8398 43.7128 29.0994 -40.8934 29.0994 -7.81108 GPRESSAVG: 3131400 11.8942 -51.0892 -39.877 -48.6731 43.6851 29.9322 -42.3204 29.6266 -8.61426 TIMING: 3131400 CPU: 9889.86, 0.00315083/step Wall: 9889.86, 0.00315083/step, 1.63545 hours remaining, 234.371094 MB of memory in use. ENERGY: 3131400 3924.0341 20470.1548 14385.9327 251.6808 -203291.2750 2495.3927 0.0000 0.0000 51809.8928 -109954.1872 297.7522 -161764.0800 -109600.8117 298.1073 -97.1905 -66.8220 760320.3556 15.4916 15.6550 PRESSURE: 3131600 221.657 -54.18 -61.3349 -54.1792 166.704 -163.405 -61.3346 -163.406 310.909 GPRESSURE: 3131600 266.365 -27.6212 -127.145 58.5398 277.332 -163.714 84.8356 -149.31 244.512 PRESSAVG: 3131600 -10.0716 21.3008 -46.1125 21.3007 12.7162 -50.4401 -46.1124 -50.4401 21.9414 GPRESSAVG: 3131600 -10.9301 23.2327 -47.5203 21.7363 13.5705 -50.2359 -43.8466 -50.5274 21.8228 TIMING: 3131600 CPU: 9890.49, 0.00313686/step Wall: 9890.49, 0.00313686/step, 1.62803 hours remaining, 234.371094 MB of memory in use. ENERGY: 3131600 3915.9996 20472.2481 14372.7256 244.7380 -204157.9479 3102.8335 0.0000 0.0000 51948.6956 -110100.7076 298.5499 -162049.4032 -109741.2692 297.8276 233.0902 262.7363 760414.9182 8.1953 8.1544 PRESSURE: 3131800 -232.275 14.6141 138.069 14.6142 165.042 235.842 138.07 235.84 -91.8184 GPRESSURE: 3131800 -196.484 -48.664 177.531 28.5467 199.733 221.871 72.5636 210.282 -83.6888 PRESSAVG: 3131800 -18.9124 -41.8078 -4.61381 -41.8078 25.2144 8.9056 -4.61384 8.90556 19.3688 GPRESSAVG: 3131800 -19.9325 -42.6192 -5.00356 -39.44 26.0344 8.28696 -6.74269 8.66125 19.3406 TIMING: 3131800 CPU: 9891.12, 0.00315133/step Wall: 9891.12, 0.00315133/step, 1.63536 hours remaining, 234.371094 MB of memory in use. ENERGY: 3131800 4030.2286 20459.8904 14351.0611 246.2903 -203262.4318 2496.7898 0.0000 0.0000 51714.2013 -109963.9702 297.2022 -161678.1715 -109603.4402 298.1354 -53.0175 -26.8131 761369.2287 8.5569 8.4808 PRESSURE: 3132000 -23.0312 -27.6591 223.667 -27.6587 -11.567 -94.9558 223.666 -94.9563 153.867 GPRESSURE: 3132000 28.7474 -68.4976 207.495 -53.3323 14.7472 -101.745 222.985 2.81965 144.589 PRESSAVG: 3132000 -28.4171 -29.0785 -24.0798 -29.0785 -19.6538 21.6467 -24.0798 21.6467 15.26 GPRESSAVG: 3132000 -27.1662 -28.1787 -25.1147 -33.0812 -20.8253 22.7525 -22.6714 20.7167 15.1942 TIMING: 3132000 CPU: 9891.75, 0.00314703/step Wall: 9891.75, 0.00314703/step, 1.63296 hours remaining, 234.371094 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: 3132000 3942.6058 20587.1668 14332.1699 251.0144 -203190.5434 2622.8807 0.0000 0.0000 51897.9119 -109556.7940 298.2580 -161454.7060 -109200.8769 298.4152 39.7564 62.6945 760994.3996 -10.9370 -10.9325 PRESSURE: 3132200 36.4306 -38.1341 -56.8842 -38.134 45.7579 -70.9673 -56.8845 -70.9663 70.2004 GPRESSURE: 3132200 51.4618 -93.5147 -31.5547 -13.7135 112.271 -157.05 -138.968 12.4179 53.6225 PRESSAVG: 3132200 -17.2566 -72.6074 -31.3966 -72.6074 65.2499 13.9303 -31.3965 13.9304 -18.1977 GPRESSAVG: 3132200 -17.7658 -71.3018 -30.4953 -70.0446 65.8955 10.6814 -31.996 17.2387 -18.2605 TIMING: 3132200 CPU: 9892.38, 0.00314436/step Wall: 9892.38, 0.00314436/step, 1.6314 hours remaining, 234.371094 MB of memory in use. ENERGY: 3132200 3920.9823 20469.4242 14384.8387 249.0618 -203376.1956 2492.0036 0.0000 0.0000 52264.2857 -109595.5994 300.3636 -161859.8851 -109235.7594 298.7106 50.7963 72.4518 760588.0388 9.9319 9.9564 LDB: ============= START OF LOAD BALANCING ============== 9904.91 LDB: ============== END OF LOAD BALANCING =============== 9904.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9904.91 LDB: ============= START OF LOAD BALANCING ============== 9905.23 LDB: Largest compute 7075 load 0.033939 is 17.4% of average load 0.195544 LDB: Average compute 0.004381 is 2.2% of average load 0.195544 LDB: TIME 9905.23 LOAD: AVG 0.195544 MAX 0.21519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.938 MB LDB: TIME 9905.23 LOAD: AVG 0.195544 MAX 0.21519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.008 MB LDB: TIME 9905.23 LOAD: AVG 0.195544 MAX 0.21519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.008 MB LDB: ============== END OF LOAD BALANCING =============== 9905.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9905.24 PRESSURE: 3132400 79.5862 108.212 99.8634 108.211 25.0753 -237.72 99.8629 -237.722 232.095 GPRESSURE: 3132400 166.114 16.0677 69.062 54.0184 -23.6925 -187.713 129.189 -284.434 283.371 PRESSAVG: 3132400 -67.1626 -21.6785 8.74069 -21.6784 83.6524 -49.1771 8.74074 -49.1772 17.0133 GPRESSAVG: 3132400 -67.1709 -23.9722 6.88063 -21.8627 82.6539 -49.3634 10.1968 -50.8508 17.7752 TIMING: 3132400 CPU: 9893.02, 0.00322362/step Wall: 9893.02, 0.00322362/step, 1.67234 hours remaining, 236.421875 MB of memory in use. ENERGY: 3132400 3999.2010 20472.0278 14403.4674 246.7870 -203919.4325 3055.7299 0.0000 0.0000 51952.3532 -109789.8662 298.5709 -161742.2194 -109425.5503 298.9299 112.2520 141.9308 760332.7351 11.1677 11.0861 PRESSURE: 3132600 -93.128 -2.73145 115.971 -2.7325 -189.477 153.801 115.97 153.801 -154.396 GPRESSURE: 3132600 25.0339 -18.2849 82.8286 -21.809 -242.431 127.274 22.5882 234.561 -128.501 PRESSAVG: 3132600 -35.8095 -17.9733 86.2968 -17.9733 79.0391 -35.9081 86.2968 -35.9081 -19.8286 GPRESSAVG: 3132600 -36.2897 -16.1689 88.383 -18.6467 79.7872 -32.8652 85.397 -34.848 -20.11 TIMING: 3132600 CPU: 9893.65, 0.00315797/step Wall: 9893.65, 0.00315797/step, 1.63811 hours remaining, 236.816406 MB of memory in use. ENERGY: 3132600 4011.6953 20398.4720 14343.2899 242.6128 -203376.5344 2795.0498 0.0000 0.0000 51904.0864 -109681.3283 298.2935 -161585.4146 -109320.6020 298.6735 -145.6670 -115.2993 761416.6822 7.8004 7.7958 PRESSURE: 3132800 -161.992 -17.1788 -246.821 -17.1785 238.611 55.5519 -246.822 55.5517 116.001 GPRESSURE: 3132800 -117.818 25.6696 -161.886 -91.9091 311.543 -15.3602 -173.967 68.7687 88.9404 PRESSAVG: 3132800 -20.302 -80.5059 22.1169 -80.5059 16.1662 -23.5004 22.117 -23.5002 8.63091 GPRESSAVG: 3132800 -20.4002 -79.0364 20.1738 -80.3952 16.4187 -23.9685 22.1068 -24.7948 8.51837 TIMING: 3132800 CPU: 9894.28, 0.00313039/step Wall: 9894.28, 0.00313039/step, 1.62363 hours remaining, 236.832031 MB of memory in use. ENERGY: 3132800 4031.3975 20638.9601 14420.0228 233.8994 -203671.6973 2899.6054 0.0000 0.0000 51970.4918 -109477.3203 298.6751 -161447.8120 -109130.6864 299.0168 64.2069 94.2217 762137.5655 1.4984 1.5123 PRESSURE: 3133000 -149.902 -94.2847 282.278 -94.2844 -173.114 -36.9311 282.278 -36.9308 -535.823 GPRESSURE: 3133000 -178.439 -132.375 222.939 -247.746 -107.158 -28.2518 218.041 -11.7651 -490.592 PRESSAVG: 3133000 -59.3324 -58.8779 -65.9647 -58.8779 69.6865 -9.41183 -65.9646 -9.41181 11.9062 GPRESSAVG: 3133000 -60.7161 -59.4312 -64.7179 -59.2706 71.1957 -9.61312 -66.4243 -11.166 11.3918 TIMING: 3133000 CPU: 9894.91, 0.00313804/step Wall: 9894.91, 0.00313804/step, 1.62742 hours remaining, 236.832031 MB of memory in use. ENERGY: 3133000 4034.6172 20501.3582 14394.0858 231.0036 -202859.2577 2270.7916 0.0000 0.0000 51878.9468 -109548.4545 298.1490 -161427.4013 -109179.5779 299.4926 -286.2795 -258.7294 760998.5634 7.4201 7.2905 PRESSURE: 3133200 -58.598 -40.8184 26.6599 -40.8181 163.203 212.592 26.6596 212.593 -380.019 GPRESSURE: 3133200 4.89775 18.9161 -27.8891 -21.7104 136.107 152.879 -7.77862 256.053 -324.665 PRESSAVG: 3133200 -9.77025 -53.4096 44.5815 -53.4096 7.05099 -14.6871 44.5816 -14.6872 -1.80356 GPRESSAVG: 3133200 -8.92335 -52.8975 45.1898 -51.8545 4.36869 -13.8953 46.2035 -13.5939 -0.411707 TIMING: 3133200 CPU: 9895.54, 0.00315161/step Wall: 9895.54, 0.00315161/step, 1.63428 hours remaining, 236.832031 MB of memory in use. ENERGY: 3133200 3984.5123 20624.1235 14397.4575 248.9600 -203484.0252 2788.2128 0.0000 0.0000 51791.3830 -109649.3761 297.6458 -161440.7592 -109282.8327 298.6852 -91.8048 -61.2202 761714.8082 -1.5076 -1.6555 PRESSURE: 3133400 -172.647 -113.108 98.786 -113.108 -151.43 65.4411 98.7867 65.441 -64.6883 GPRESSURE: 3133400 -65.675 -140.505 87.3878 19.1803 -130.472 68.155 77.0777 -10.9683 -98.72 PRESSAVG: 3133400 -29.0524 -17.9165 20.9814 -17.9166 44.5401 24.9034 20.9813 24.9036 24.2556 GPRESSAVG: 3133400 -29.3529 -20.2862 19.8843 -19.1657 45.2888 24.518 20.0337 24.7813 23.971 TIMING: 3133400 CPU: 9896.17, 0.00315323/step Wall: 9896.17, 0.00315323/step, 1.63495 hours remaining, 236.832031 MB of memory in use. ENERGY: 3133400 3952.5919 20653.3224 14366.3313 234.9288 -203541.4480 2675.5178 0.0000 0.0000 51963.0192 -109695.7365 298.6322 -161658.7557 -109335.8671 298.5123 -129.5884 -98.2889 760772.9753 13.2478 13.3023 PRESSURE: 3133600 -50.2016 -207.02 26.6664 -207.021 -220.357 167.544 26.6658 167.544 -424.215 GPRESSURE: 3133600 -68.7412 -129.889 28.7056 -246.402 -179.352 215.749 17.5841 92.2132 -379.09 PRESSAVG: 3133600 -51.2866 -60.6369 15.4295 -60.6368 41.9139 15.7372 15.4295 15.7372 -11.6038 GPRESSAVG: 3133600 -51.1959 -60.1062 16.2303 -61.2917 41.6263 16.3274 15.9153 15.1394 -11.4584 TIMING: 3133600 CPU: 9896.8, 0.00314452/step Wall: 9896.8, 0.00314452/step, 1.63026 hours remaining, 236.832031 MB of memory in use. ENERGY: 3133600 3957.2071 20502.1969 14370.5631 251.1127 -203379.0312 2646.1980 0.0000 0.0000 52092.0879 -109559.6655 299.3739 -161651.7534 -109190.1924 298.6891 -231.5911 -209.0612 760510.7962 -6.9922 -7.0093 PRESSURE: 3133800 -23.5897 -178.236 -109.425 -178.236 115.714 -171.827 -109.425 -171.827 538.916 GPRESSURE: 3133800 99.8467 -121.813 -95.6687 -46.7687 59.3149 -128.432 -179.917 56.0677 558.912 PRESSAVG: 3133800 -28.1927 -52.5814 -33.5834 -52.5815 -1.36617 -14.4286 -33.5834 -14.4285 14.6079 GPRESSAVG: 3133800 -28.4855 -53.2192 -34.3774 -51.5456 -0.817843 -16.5917 -34.8278 -11.9904 14.1734 TIMING: 3133800 CPU: 9897.42, 0.00313542/step Wall: 9897.42, 0.00313542/step, 1.62537 hours remaining, 237.035156 MB of memory in use. ENERGY: 3133800 4037.8650 20645.3563 14462.6045 239.3271 -203800.4437 2950.0042 0.0000 0.0000 51756.0505 -109709.2361 297.4427 -161465.2866 -109353.2973 298.7655 210.3468 239.3578 760936.5157 -4.9837 -5.0433 PRESSURE: 3134000 -220.254 7.08603 -28.0107 7.08619 25.6628 140.707 -28.0112 140.708 -80.5399 GPRESSURE: 3134000 -98.0851 -57.845 -45.0817 39.1169 -100.131 140.401 24.5184 83.1807 3.81773 PRESSAVG: 3134000 -52.7042 -70.4573 20.206 -70.4573 71.6644 45.8657 20.206 45.8657 13.6139 GPRESSAVG: 3134000 -52.038 -68.6129 20.7175 -71.3638 70.8579 46.5926 22.1354 44.9105 13.5076 TIMING: 3134000 CPU: 9898.05, 0.00314189/step Wall: 9898.05, 0.00314189/step, 1.62855 hours remaining, 237.035156 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: 3134000 4002.2703 20368.8802 14406.0083 238.0872 -203390.1100 2614.5480 0.0000 0.0000 51976.2060 -109784.1099 298.7080 -161760.3159 -109413.0785 298.6500 -91.7102 -64.7996 761438.9187 10.8581 10.7758 PRESSURE: 3134200 43.2575 -66.5454 28.8131 -66.5457 -173.465 161.611 28.8134 161.61 -322.963 GPRESSURE: 3134200 -33.3641 -98.5021 48.4601 -104.823 -70.225 170.173 -57.2837 86.4569 -252.378 PRESSAVG: 3134200 -21.4342 -43.4289 15.2529 -43.4288 45.4191 -2.63295 15.2528 -2.63293 3.45539 GPRESSAVG: 3134200 -21.4553 -44.1141 13.2784 -41.4309 46.2153 -2.69884 14.7815 -4.16916 2.97704 TIMING: 3134200 CPU: 9898.68, 0.00313453/step Wall: 9898.68, 0.00313453/step, 1.62456 hours remaining, 237.035156 MB of memory in use. ENERGY: 3134200 3984.4544 20360.5590 14334.5257 247.0836 -203257.7192 2510.0917 0.0000 0.0000 51998.1061 -109822.8987 298.8338 -161821.0048 -109464.2581 298.4385 -151.0569 -118.6556 761148.1714 9.1468 9.2457 PRESSURE: 3134400 -9.04061 35.3452 123.743 35.3458 -87.1969 -129 123.743 -129.002 23.8434 GPRESSURE: 3134400 44.9967 -79.9759 135.038 36.1447 -71.4022 -94.9652 55.6487 -69.2397 55.3652 PRESSAVG: 3134400 -62.0583 -38.3924 -13.9817 -38.3924 57.3179 -18.5077 -13.9818 -18.5077 -26.7103 GPRESSAVG: 3134400 -60.0686 -38.754 -14.3556 -38.2203 55.3296 -18.352 -14.797 -19.1088 -26.0245 TIMING: 3134400 CPU: 9899.31, 0.00313857/step Wall: 9899.31, 0.00313857/step, 1.62648 hours remaining, 237.035156 MB of memory in use. ENERGY: 3134400 3970.7575 20488.3793 14401.3063 247.6405 -203349.6613 2680.7105 0.0000 0.0000 51796.3960 -109764.4711 297.6746 -161560.8672 -109400.8331 298.3011 -24.1314 9.6532 760508.7523 -10.4836 -10.2545 PRESSURE: 3134600 93.7389 132.428 -7.48643 132.427 313.467 90.4728 -7.48678 90.4719 -4.34001 GPRESSURE: 3134600 145.811 122.372 -34.8613 41.3332 334.088 102.789 137.548 -19.5163 10.1845 PRESSAVG: 3134600 -16.8445 -71.4684 -8.31236 -71.4684 -3.16774 28.1414 -8.31241 28.1415 -18.0396 GPRESSAVG: 3134600 -16.6686 -70.4411 -5.54437 -74.0894 -3.39593 29.2472 -8.60867 28.1536 -17.8218 TIMING: 3134600 CPU: 9899.94, 0.00315102/step Wall: 9899.94, 0.00315102/step, 1.63275 hours remaining, 237.035156 MB of memory in use. ENERGY: 3134600 3938.0196 20490.3291 14455.5140 251.7347 -203670.7755 2901.5159 0.0000 0.0000 51994.7702 -109638.8919 298.8147 -161633.6621 -109275.6690 298.8849 134.2887 163.3613 762245.1879 -12.6839 -12.6288 PRESSURE: 3134800 -104.34 117.861 22.5664 117.862 -199.04 45.7314 22.5669 45.7302 95.7002 GPRESSURE: 3134800 -76.8767 199.474 10.8164 71.9287 -155.33 28.4048 55.5237 57.1618 120.165 PRESSAVG: 3134800 -89.5085 -4.63066 -1.34723 -4.63067 49.3047 11.7502 -1.34718 11.7503 -27.424 GPRESSAVG: 3134800 -90.8297 -5.61635 -1.50737 -5.63142 50.8954 11.6352 -0.45147 13.5454 -27.6062 TIMING: 3134800 CPU: 9900.57, 0.00315944/step Wall: 9900.57, 0.00315944/step, 1.63694 hours remaining, 237.035156 MB of memory in use. ENERGY: 3134800 3974.0423 20696.0352 14371.2671 249.2056 -203953.0324 2900.5998 0.0000 0.0000 52065.5291 -109696.3533 299.2213 -161761.8824 -109334.2997 299.0126 -69.2266 -37.3473 761358.0388 -22.5426 -22.5135 PRESSURE: 3135000 -69.1489 -61.2479 -81.5568 -61.2473 -62.5835 -19.273 -81.5571 -19.2731 97.7674 GPRESSURE: 3135000 62.6876 -23.0201 -51.4906 -150.841 -89.5271 -69.3138 -133.498 133.287 79.795 PRESSAVG: 3135000 -85.7396 -61.9676 -13.7626 -61.9676 24.8367 46.2706 -13.7625 46.2705 20.8789 GPRESSAVG: 3135000 -85.7095 -61.7271 -11.8157 -59.1398 24.71 45.6445 -16.2835 46.567 20.8052 TIMING: 3135000 CPU: 9901.2, 0.00314964/step Wall: 9901.2, 0.00314964/step, 1.63169 hours remaining, 237.035156 MB of memory in use. ENERGY: 3135000 4009.3698 20540.2528 14344.5800 249.5710 -203254.1966 2580.9169 0.0000 0.0000 51744.4835 -109785.0227 297.3763 -161529.5061 -109421.4529 298.7159 -11.3216 17.6518 761669.9641 -13.3414 -13.3981 PRESSURE: 3135200 53.3406 82.817 260.494 82.8163 27.7237 162.425 260.495 162.425 -64.1997 GPRESSURE: 3135200 90.78 105.581 242.779 39.7164 98.5536 91.0288 216.127 284.136 -70.8658 PRESSAVG: 3135200 -13.8603 -8.95258 21.1076 -8.95258 16.413 26.4384 21.1076 26.4384 -3.57005 GPRESSAVG: 3135200 -14.3835 -8.52102 18.4495 -9.38783 17.4151 26.2465 23.8073 27.0604 -3.60817 TIMING: 3135200 CPU: 9901.83, 0.00314411/step Wall: 9901.83, 0.00314411/step, 1.62865 hours remaining, 237.035156 MB of memory in use. ENERGY: 3135200 3964.8394 20568.1700 14345.7141 247.5318 -203264.0659 2601.7294 0.0000 0.0000 51936.1708 -109599.9104 298.4779 -161536.0812 -109238.6714 298.5941 5.6215 39.4893 761452.8702 -0.3391 -0.1922 PRESSURE: 3135400 -756.323 78.6307 -171.749 78.6302 -355.067 286.65 -171.75 286.649 -88.937 GPRESSURE: 3135400 -760.343 29.7369 -123.446 -34.393 -304.617 218.605 -171.824 124.563 -51.4641 PRESSAVG: 3135400 -71.5774 -37.2893 -61.0536 -37.2893 23.5539 61.4921 -61.0537 61.492 -7.65632 GPRESSAVG: 3135400 -70.1865 -36.2351 -62.1176 -39.6576 22.7937 61.6606 -60.9462 60.4917 -7.85007 TIMING: 3135400 CPU: 9902.46, 0.00314466/step Wall: 9902.46, 0.00314466/step, 1.62876 hours remaining, 237.035156 MB of memory in use. ENERGY: 3135400 4020.6422 20606.3327 14355.5170 251.7605 -202917.9712 2100.3320 0.0000 0.0000 52007.2153 -109576.1715 298.8862 -161583.3867 -109212.7547 298.8197 -400.1089 -372.1416 761363.8617 -18.5599 -18.4143 PRESSURE: 3135600 -24.7185 -123.659 128.116 -123.66 58.0295 -59.753 128.116 -59.7522 7.21005 GPRESSURE: 3135600 17.4612 -156.432 94.3785 -52.5014 102.251 -41.513 123.589 155.496 6.39595 PRESSAVG: 3135600 -79.686 -70.3179 4.11361 -70.318 46.8612 46.8946 4.11361 46.8945 23.0163 GPRESSAVG: 3135600 -80.608 -72.65 5.48009 -68.2391 47.0516 47.9532 3.49678 47.3098 23.3115 TIMING: 3135600 CPU: 9903.08, 0.00313566/step Wall: 9903.08, 0.00313565/step, 1.62392 hours remaining, 237.035156 MB of memory in use. ENERGY: 3135600 4075.3727 20574.5105 14387.9487 245.9239 -203403.7245 2665.8356 0.0000 0.0000 52132.5683 -109321.5647 299.6066 -161454.1330 -108957.6618 299.3827 13.5070 42.0361 760704.4631 -3.2695 -3.4150 PRESSURE: 3135800 -157.865 -40.9043 13.4934 -40.9029 328.628 -129.655 13.4937 -129.654 115.699 GPRESSURE: 3135800 -95.9003 -101.162 -76.5046 -2.09825 307.541 -90.9027 -4.30455 -123.005 156.473 PRESSAVG: 3135800 -59.5157 -55.9969 -53.2657 -55.9969 75.6143 33.073 -53.2657 33.0729 -5.3535 GPRESSAVG: 3135800 -58.7528 -53.7968 -54.2385 -57.4569 75.1871 30.1902 -52.8261 34.6907 -5.42692 TIMING: 3135800 CPU: 9903.71, 0.00312919/step Wall: 9903.71, 0.0031292/step, 1.6204 hours remaining, 237.035156 MB of memory in use. ENERGY: 3135800 3977.4989 20645.7629 14445.2001 260.0821 -203241.6271 2594.5142 0.0000 0.0000 52193.6814 -109124.8875 299.9578 -161318.5688 -108758.0271 299.9623 95.4870 122.7045 760385.1560 3.5817 3.6691 PRESSURE: 3136000 -38.1329 -113.212 188.196 -113.212 -54.9793 77.7751 188.196 77.7748 -141.362 GPRESSURE: 3136000 -17.7786 -21.9363 164.826 -110.259 -33.8716 68.1791 122.941 56.7965 -95.1481 PRESSAVG: 3136000 -28.888 7.32324 37.9177 7.32323 44.2951 14.5346 37.9177 14.5345 10.4912 GPRESSAVG: 3136000 -28.9611 6.92577 38.5236 8.44242 43.4835 14.9272 36.0483 14.0919 11.0517 TIMING: 3136000 CPU: 9904.34, 0.00312583/step Wall: 9904.34, 0.00312583/step, 1.61848 hours remaining, 237.035156 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: 3136000 3996.6194 20534.5588 14386.5931 247.2852 -202921.2566 2278.2654 0.0000 0.0000 52366.3392 -109111.5956 300.9501 -161477.9348 -108747.7828 300.3720 -78.1582 -48.9328 761481.4051 8.6328 8.5247 PRESSURE: 3136200 -400.325 4.08019 49.4308 4.08118 12.7324 178.735 49.4309 178.736 -39.4377 GPRESSURE: 3136200 -279.703 -23.5285 -94.759 9.41111 -59.3814 269.748 143.311 292.659 0.959079 PRESSAVG: 3136200 -2.15099 0.992462 9.15168 0.992438 57.8317 45.4343 9.15167 45.4342 11.0174 GPRESSAVG: 3136200 -2.52057 -0.818359 8.02324 0.902424 58.2311 47.4562 9.42984 44.6792 11.3537 TIMING: 3136200 CPU: 9904.96, 0.00313168/step Wall: 9904.96, 0.00313168/step, 1.62134 hours remaining, 237.035156 MB of memory in use. ENERGY: 3136200 3986.6526 20508.2081 14424.4819 251.3216 -202836.2441 2233.5109 0.0000 0.0000 52254.8487 -109177.2204 300.3093 -161432.0690 -108817.2077 300.0160 -142.3436 -112.7085 761902.2923 22.2327 22.3547 LDB: ============= START OF LOAD BALANCING ============== 9917.49 LDB: ============== END OF LOAD BALANCING =============== 9917.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9917.49 LDB: ============= START OF LOAD BALANCING ============== 9917.81 LDB: Largest compute 7075 load 0.032854 is 16.8% of average load 0.195698 LDB: Average compute 0.004393 is 2.2% of average load 0.195698 LDB: TIME 9917.81 LOAD: AVG 0.195698 MAX 0.213926 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.234 MB LDB: TIME 9917.81 LOAD: AVG 0.195698 MAX 0.213926 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: TIME 9917.81 LOAD: AVG 0.195698 MAX 0.213926 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: ============== END OF LOAD BALANCING =============== 9917.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9917.82 PRESSURE: 3136400 -234.194 292.016 267.92 292.015 -160.144 -30.269 267.919 -30.2698 228.487 GPRESSURE: 3136400 -250.96 194.125 277.099 400.69 -3.06337 1.51529 215.594 -86.2112 180.844 PRESSAVG: 3136400 -77.3108 -11.208 48.1489 -11.208 27.0315 43.1492 48.1489 43.1492 17.213 GPRESSAVG: 3136400 -76.7754 -11.8698 50.1154 -10.9335 27.0178 43.9754 48.8528 42.3977 16.1794 TIMING: 3136400 CPU: 9905.6, 0.00321032/step Wall: 9905.6, 0.00321032/step, 1.66188 hours remaining, 236.765625 MB of memory in use. ENERGY: 3136400 3948.8771 20750.1128 14457.8399 251.6943 -203298.9771 2619.7700 0.0000 0.0000 52179.0282 -109091.6549 299.8736 -161270.6831 -108726.2202 300.2137 -55.2840 -24.3931 761643.5396 -11.0221 -11.1928 PRESSURE: 3136600 55.1758 132.024 21.4997 132.024 138.348 236.413 21.4988 236.413 -68.545 GPRESSURE: 3136600 17.945 220.051 71.8772 -17.0422 187.885 196.451 50.8345 218.568 -6.42816 PRESSAVG: 3136600 -70.153 36.3854 1.63644 36.3854 48.4683 9.48054 1.63646 9.48054 -10.9206 GPRESSAVG: 3136600 -71.0693 39.1194 -0.0754246 34.6381 48.4109 7.56015 2.60125 9.66621 -10.5386 TIMING: 3136600 CPU: 9906.23, 0.00313777/step Wall: 9906.23, 0.00313777/step, 1.62414 hours remaining, 236.968750 MB of memory in use. ENERGY: 3136600 3985.9615 20529.8429 14445.8670 271.5145 -203226.7395 2603.1845 0.0000 0.0000 52211.6415 -109178.7277 300.0610 -161390.3691 -108812.9975 300.3486 41.6595 66.4673 763170.4857 -10.8684 -11.0657 PRESSURE: 3136800 -24.748 -181.385 -83.9888 -181.385 -49.5842 176.912 -83.9889 176.912 -229.129 GPRESSURE: 3136800 -37.3168 -322.113 -27.4696 -134.848 -5.92963 127.992 -106.741 173.412 -174.777 PRESSAVG: 3136800 -52.9905 -12.4748 -16.3197 -12.4749 83.1528 46.7669 -16.3198 46.767 0.42903 GPRESSAVG: 3136800 -53.7523 -14.6155 -14.5167 -11.445 83.3364 49.1582 -18.7132 46.2018 1.21998 TIMING: 3136800 CPU: 9906.86, 0.00313142/step Wall: 9906.86, 0.00313142/step, 1.62068 hours remaining, 236.968750 MB of memory in use. ENERGY: 3136800 4083.2522 20660.9270 14422.4703 252.6702 -203346.8872 2658.7648 0.0000 0.0000 51875.6007 -109393.2021 298.1298 -161268.8028 -109039.0969 299.7756 -101.1536 -72.6743 762175.5374 10.1971 10.2680 PRESSURE: 3137000 -188.632 -118.935 159.985 -118.934 9.15216 -58.6453 159.985 -58.6447 -261.725 GPRESSURE: 3137000 -220.728 -131.696 128.725 -64.2597 90.7758 82.0276 173.709 -2.2372 -227.51 PRESSAVG: 3137000 -127.616 -46.6417 22.9587 -46.6417 112.921 -9.23254 22.9586 -9.2325 -20.4274 GPRESSAVG: 3137000 -127.374 -44.7988 21.6112 -45.8225 113.453 -9.78759 25.3207 -8.70854 -21.5372 TIMING: 3137000 CPU: 9907.48, 0.00312683/step Wall: 9907.48, 0.00312683/step, 1.61814 hours remaining, 237.226562 MB of memory in use. ENERGY: 3137000 3963.1780 20664.9607 14426.9545 268.2247 -203343.7321 2465.1938 0.0000 0.0000 52188.8254 -109366.3951 299.9299 -161555.2205 -109001.5051 299.6379 -147.0682 -119.1543 761721.1217 -11.7074 -11.8194 PRESSURE: 3137200 307.531 24.0833 -221.682 24.0842 387.846 -96.7909 -221.682 -96.7908 378.966 GPRESSURE: 3137200 420.973 -67.3665 -225.725 79.4314 395.085 -143.974 -190.155 6.70622 362.298 PRESSAVG: 3137200 -60.2486 19.9618 20.8569 19.9617 78.0884 66.592 20.8569 66.5919 11.4607 GPRESSAVG: 3137200 -59.8958 19.0777 21.4757 20.1136 77.323 66.8464 21.3262 67.1235 11.83 TIMING: 3137200 CPU: 9908.11, 0.00311405/step Wall: 9908.11, 0.00311404/step, 1.61135 hours remaining, 237.226562 MB of memory in use. ENERGY: 3137200 3958.8575 20697.8748 14420.2230 241.0924 -203700.3751 2903.2572 0.0000 0.0000 52011.4772 -109467.5929 298.9107 -161479.0701 -109110.8822 299.6721 358.1144 392.7854 762109.6000 9.7669 9.7524 PRESSURE: 3137400 -85.2126 69.7354 76.3443 69.7358 189.675 -59.1292 76.3439 -59.1279 253.404 GPRESSURE: 3137400 -86.0281 167.169 29.1695 -16.6154 237.341 -89.426 70.6207 -177.799 296.661 PRESSAVG: 3137400 -38.7034 -7.38385 27.8314 -7.3839 57.8549 58.2415 27.8314 58.2415 5.44374 GPRESSAVG: 3137400 -39.2928 -7.78844 26.588 -8.02743 59.2234 55.8395 27.8763 57.7347 4.98817 TIMING: 3137400 CPU: 9908.73, 0.00312678/step Wall: 9908.73, 0.00312678/step, 1.61776 hours remaining, 237.226562 MB of memory in use. ENERGY: 3137400 4044.1257 20619.8062 14401.7267 234.9118 -204050.8638 3075.3506 0.0000 0.0000 52060.6774 -109614.2654 299.1934 -161674.9428 -109252.0693 299.3461 119.2890 149.3248 761846.4724 8.1984 8.3063 PRESSURE: 3137600 44.9729 183.619 234.388 183.618 39.4347 -119.506 234.388 -119.507 153.295 GPRESSURE: 3137600 96.7305 205.367 245.337 201.985 94.4783 -103.148 215.597 -115.904 143.079 PRESSAVG: 3137600 -61.7786 8.23198 26.5289 8.23201 76.2431 23.1074 26.5289 23.1074 -2.89641 GPRESSAVG: 3137600 -62.4023 5.92196 27.5742 11.2098 75.8797 23.5206 23.9785 24.349 -1.98848 TIMING: 3137600 CPU: 9909.36, 0.00313816/step Wall: 9909.36, 0.00313816/step, 1.62347 hours remaining, 237.226562 MB of memory in use. ENERGY: 3137600 3978.2047 20475.1822 14376.9730 245.5036 -204026.2801 3002.5684 0.0000 0.0000 51973.9812 -109973.8671 298.6952 -161947.8483 -109609.7097 298.8366 79.2342 111.4293 761472.4463 3.8560 3.8296 PRESSURE: 3137800 -29.7349 51.9341 40.3215 51.934 -44.6243 -106.246 40.3221 -106.245 -0.259251 GPRESSURE: 3137800 -31.263 27.4621 11.912 -115.536 40.6402 -64.7969 -128.059 -42.0786 -11.3816 PRESSAVG: 3137800 -51.952 -1.7592 69.5113 -1.75917 60.8981 33.6404 69.5113 33.6404 25.9844 GPRESSAVG: 3137800 -50.899 1.03452 69.0891 -6.99807 60.5963 34.4653 70.0987 33.4614 24.8749 TIMING: 3137800 CPU: 9909.98, 0.00313141/step Wall: 9909.98, 0.00313141/step, 1.61981 hours remaining, 237.226562 MB of memory in use. ENERGY: 3137800 3999.0772 20625.3536 14443.0156 251.5393 -204024.7877 3015.2957 0.0000 0.0000 51735.4145 -109955.0919 297.3241 -161690.5064 -109604.9288 298.0093 -24.8728 -0.6681 761257.4632 11.6435 11.5241 PRESSURE: 3138000 -62.2627 -34.0519 -41.5613 -34.0511 13.8207 -120.581 -41.5613 -120.581 22.2814 GPRESSURE: 3138000 -24.6452 -34.3645 -53.6048 11.5362 75.7528 -37.9358 -3.96011 -174.479 0.657155 PRESSAVG: 3138000 -70.6426 52.1566 2.83412 52.1565 81.6719 26.7008 2.83408 26.7008 19.2706 GPRESSAVG: 3138000 -69.943 53.9206 1.38544 53.9366 79.4828 26.6264 2.50116 27.3242 20.3592 TIMING: 3138000 CPU: 9910.61, 0.00312584/step Wall: 9910.61, 0.00312585/step, 1.61676 hours remaining, 237.226562 MB of memory 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 3936.6252 20426.7556 14429.0029 247.8638 -203329.8243 2409.8315 0.0000 0.0000 51835.1529 -110044.5924 297.8973 -161879.7453 -109686.1694 298.2288 -8.7202 17.2549 761567.2337 10.1000 9.9663 PRESSURE: 3138200 -238.279 151.784 -32.7933 151.783 -110.35 64.6534 -32.7936 64.6536 -381.007 GPRESSURE: 3138200 -278.1 143.627 5.34164 91.5177 -32.6972 119.625 -27.1438 129.719 -325.446 PRESSAVG: 3138200 -20.0205 31.2031 -43.1718 31.2031 16.8027 0.387118 -43.1718 0.387138 -3.96829 GPRESSAVG: 3138200 -19.992 27.8509 -42.7972 31.84 18.3126 0.226126 -42.0508 0.351725 -5.79246 TIMING: 3138200 CPU: 9911.23, 0.00311292/step Wall: 9911.23, 0.00311292/step, 1.6099 hours remaining, 237.226562 MB of memory in use. ENERGY: 3138200 4080.2739 20603.3078 14423.6357 236.8833 -203610.7994 2602.9801 0.0000 0.0000 51888.8417 -109774.8768 298.2059 -161663.7185 -109426.3212 298.1727 -243.2119 -212.0810 761578.4884 -2.3954 -2.4906 PRESSURE: 3138400 -469.297 -175.292 27.5286 -175.292 -74.8138 -126.225 27.5274 -126.224 12.0322 GPRESSURE: 3138400 -297.916 -201.385 79.5146 -156.023 -94.9678 -79.2272 -68.0937 -153.229 -38.2871 PRESSAVG: 3138400 -23.6615 -23.8995 -56.8503 -23.8995 3.02748 40.044 -56.8502 40.0441 14.3873 GPRESSAVG: 3138400 -24.354 -22.4501 -58.2641 -23.4327 2.86791 39.7543 -58.0651 40.0135 14.9286 TIMING: 3138400 CPU: 9911.86, 0.00311994/step Wall: 9911.86, 0.00311994/step, 1.61336 hours remaining, 237.226562 MB of memory in use. ENERGY: 3138400 3940.9818 20706.1374 14487.1059 248.0345 -204041.0348 2996.3673 0.0000 0.0000 51980.7296 -109681.6784 298.7340 -161662.4081 -109332.0846 298.8143 -177.3595 -143.7236 761623.4153 -2.0823 -2.1858 PRESSURE: 3138600 -173.725 -89.2456 14.0489 -89.2463 -167.246 -38.0606 14.0484 -38.0611 -35.034 GPRESSURE: 3138600 -185.605 -71.1301 -60.0239 -127.829 -130.628 1.12703 106.555 -83.2077 16.6532 PRESSAVG: 3138600 -16.8417 -63.6345 -106.176 -63.6345 69.5236 34.2993 -106.176 34.2993 0.69691 GPRESSAVG: 3138600 -17.2387 -62.398 -104.298 -63.9289 68.9366 34.7417 -104.819 35.2304 1.51443 TIMING: 3138600 CPU: 9912.48, 0.00312643/step Wall: 9912.48, 0.00312643/step, 1.61654 hours remaining, 237.226562 MB of memory in use. ENERGY: 3138600 4089.6041 20693.2401 14445.4973 243.8698 -203531.6998 2555.0732 0.0000 0.0000 52091.9138 -109412.5015 299.3729 -161504.4153 -109050.6269 299.3044 -125.3350 -99.8598 761549.5800 17.7929 17.7374 PRESSURE: 3138800 -376.687 -167.368 -40.307 -167.367 -246.038 209.207 -40.3068 209.206 255.865 GPRESSURE: 3138800 -423.27 -147.748 -110.363 -154.445 -111.19 183.796 42.3663 77.4491 244.924 PRESSAVG: 3138800 -75.4063 -33.8673 -33.3992 -33.8672 63.8128 37.8873 -33.3991 37.8873 1.02031 GPRESSAVG: 3138800 -74.932 -34.1124 -34.0173 -32.5618 64.0953 36.6662 -33.2008 37.3069 0.655544 TIMING: 3138800 CPU: 9913.11, 0.00313514/step Wall: 9913.11, 0.00313514/step, 1.62087 hours remaining, 237.226562 MB of memory in use. ENERGY: 3138800 4002.6378 20470.9478 14427.2331 245.8879 -203461.6630 2689.9972 0.0000 0.0000 51915.4304 -109709.5289 298.3587 -161624.9593 -109343.4917 299.2134 -122.2866 -96.5120 761287.6285 -3.5244 -3.3937 PRESSURE: 3139000 76.8037 91.1405 157.076 91.1398 201.49 -314.039 157.077 -314.04 379.86 GPRESSURE: 3139000 111.685 194.817 72.6094 53.242 250.103 -385.191 54.9984 -280.756 355.862 PRESSAVG: 3139000 -35.6124 -7.14693 -39.0872 -7.14693 79.5847 49.368 -39.0872 49.368 -5.28744 GPRESSAVG: 3139000 -34.3968 -7.97125 -39.973 -8.73012 79.6501 49.322 -40.7179 49.7082 -6.04255 TIMING: 3139000 CPU: 9913.73, 0.00311767/step Wall: 9913.73, 0.00311767/step, 1.61166 hours remaining, 237.226562 MB of memory in use. ENERGY: 3139000 4008.8465 20505.4223 14378.8859 233.0687 -204057.4001 2992.0924 0.0000 0.0000 51980.4425 -109958.6418 298.7323 -161939.0843 -109592.2300 298.4648 219.3847 239.2167 760253.4956 12.8949 13.0703 PRESSURE: 3139200 402.159 153.235 -232.826 153.236 -18.1916 52.1618 -232.828 52.1604 287.122 GPRESSURE: 3139200 342.696 132.488 -209.396 154.634 90.142 12.6157 -186.007 192.189 316.817 PRESSAVG: 3139200 -48.3577 -34.3819 -44.8527 -34.3819 97.3553 -5.99637 -44.8527 -5.99639 -3.41187 GPRESSAVG: 3139200 -48.6038 -33.3723 -44.5907 -34.5118 96.0758 -6.50343 -44.1541 -6.68599 -1.74067 TIMING: 3139200 CPU: 9914.36, 0.00312766/step Wall: 9914.36, 0.00312766/step, 1.61665 hours remaining, 237.226562 MB of memory in use. ENERGY: 3139200 3972.8648 20404.1447 14363.4731 225.8347 -203865.4502 2881.9078 0.0000 0.0000 52056.2862 -109960.9390 299.1682 -162017.2251 -109598.2847 298.0597 223.6966 249.8849 760757.0648 15.1952 15.2438 PRESSURE: 3139400 -49.3634 82.614 83.3094 82.6146 310.957 -104.343 83.3092 -104.344 103.65 GPRESSURE: 3139400 14.5264 67.9627 -3.8914 -45.5734 367.123 -39.3302 182.589 -75.282 63.6556 PRESSAVG: 3139400 -38.2055 -29.9564 5.20571 -29.9564 62.953 27.4472 5.20563 27.4472 -5.18222 GPRESSAVG: 3139400 -39.4517 -29.4477 6.37358 -29.4199 65.0143 27.6614 7.61642 28.0234 -5.93094 TIMING: 3139400 CPU: 9914.99, 0.00313931/step Wall: 9914.99, 0.00313931/step, 1.6225 hours remaining, 237.226562 MB of memory in use. ENERGY: 3139400 4053.4422 20593.5983 14413.2979 235.7474 -203971.5252 3033.1042 0.0000 0.0000 51732.6175 -109909.7179 297.3081 -161642.3354 -109553.7551 298.1598 121.7478 148.4351 762421.6257 6.5217 6.5439 PRESSURE: 3139600 27.822 75.3048 -9.41354 75.3054 268.307 58.0119 -9.41422 58.0115 308.98 GPRESSURE: 3139600 76.1079 185.413 72.5842 24.76 291.56 64.2883 44.3746 -9.8367 326.819 PRESSAVG: 3139600 -16.1655 -12.3641 14.4818 -12.364 14.0452 -28.3056 14.4817 -28.3057 19.7853 GPRESSAVG: 3139600 -15.5917 -13.0796 14.5249 -12.5723 13.5687 -27.0885 9.76636 -29.3515 19.1449 TIMING: 3139600 CPU: 9915.61, 0.00313112/step Wall: 9915.61, 0.00313112/step, 1.61809 hours remaining, 237.226562 MB of memory in use. ENERGY: 3139600 3985.2390 20402.1592 14384.2430 284.7470 -203926.8770 2982.4599 0.0000 0.0000 52016.5103 -109871.5187 298.9396 -161888.0289 -109511.9125 298.1563 201.7027 231.4955 761837.1455 5.8884 5.7073 PRESSURE: 3139800 -229.292 -76.2549 -61.465 -76.2545 -47.0472 -7.62551 -61.4643 -7.62487 -280.844 GPRESSURE: 3139800 -158.865 -112.06 -18.9781 -170.83 10.4647 96.131 -64.5976 -119.633 -307.51 PRESSAVG: 3139800 -17.5816 1.06108 -16.3347 1.06111 64.0976 65.9197 -16.3347 65.9196 2.21185 GPRESSAVG: 3139800 -18.7734 0.464298 -16.5743 1.19732 63.6495 65.7515 -12.2378 64.6803 3.41528 TIMING: 3139800 CPU: 9916.24, 0.00313958/step Wall: 9916.24, 0.00313958/step, 1.62229 hours remaining, 237.226562 MB of memory in use. ENERGY: 3139800 3913.8592 20444.8901 14388.7503 239.1707 -203338.3624 2448.0165 0.0000 0.0000 52019.7061 -109883.9695 298.9580 -161903.6755 -109524.3870 298.2192 -185.7278 -151.9703 762325.1125 16.2426 16.0971 PRESSURE: 3140000 134.469 -27.1771 130.638 -27.1768 -51.4112 33.6781 130.638 33.6773 -243.973 GPRESSURE: 3140000 185.709 -19.7644 147.729 -61.9887 -77.8268 -26.746 22.6865 16.2625 -173.157 PRESSAVG: 3140000 -10.6733 -16.2364 -8.00342 -16.2364 3.86371 61.3197 -8.00337 61.3196 -5.79838 GPRESSAVG: 3140000 -9.80372 -15.3599 -8.27392 -17.6344 3.78901 60.5776 -10.3213 61.2339 -7.10384 TIMING: 3140000 CPU: 9916.86, 0.00311988/step Wall: 9916.86, 0.00311988/step, 1.61194 hours remaining, 237.226562 MB of memory 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 3950.1813 20494.1459 14411.6590 243.1451 -203631.2475 2858.6471 0.0000 0.0000 51847.8786 -109825.5906 297.9705 -161673.4691 -109466.4094 297.9734 -53.6386 -21.7582 761047.0212 -4.2027 -4.3729 PRESSURE: 3140200 -112.947 71.3645 -109.209 71.3645 -378.677 152.612 -109.209 152.613 -149.729 GPRESSURE: 3140200 -192.196 -40.5715 -94.048 86.9269 -211.723 121.412 -59.0569 58.2338 -122.681 PRESSAVG: 3140200 -49.8511 -23.0279 21.1038 -23.0279 29.2376 39.7123 21.1039 39.7123 -10.3881 GPRESSAVG: 3140200 -50.2112 -22.7869 21.307 -22.5869 28.6071 39.8957 21.1468 40.8846 -9.1692 TIMING: 3140200 CPU: 9917.49, 0.00312072/step Wall: 9917.49, 0.00312072/step, 1.6122 hours remaining, 237.226562 MB of memory in use. ENERGY: 3140200 3997.0184 20459.4528 14485.7709 247.4048 -203699.0961 2859.0359 0.0000 0.0000 51946.6528 -109703.7606 298.5381 -161650.4134 -109338.3788 298.6235 -213.7843 -175.5331 760610.0834 -10.3339 -10.2578 LDB: ============= START OF LOAD BALANCING ============== 9930.02 LDB: ============== END OF LOAD BALANCING =============== 9930.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9930.02 LDB: ============= START OF LOAD BALANCING ============== 9930.33 LDB: Largest compute 7068 load 0.032760 is 16.7% of average load 0.195647 LDB: Average compute 0.004379 is 2.2% of average load 0.195647 LDB: TIME 9930.34 LOAD: AVG 0.195647 MAX 0.215129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.809 MB LDB: TIME 9930.34 LOAD: AVG 0.195647 MAX 0.215129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.809 MB LDB: TIME 9930.34 LOAD: AVG 0.195647 MAX 0.215129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 233.809 MB LDB: ============== END OF LOAD BALANCING =============== 9930.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9930.34 PRESSURE: 3140400 128.064 325.416 -141.142 325.416 -143.026 -163.442 -141.142 -163.442 137.968 GPRESSURE: 3140400 224.621 322.129 -93.6949 219.369 -146.068 -172.997 -73.1305 -134.671 147.933 PRESSAVG: 3140400 -38.6467 -35.0586 -11.0947 -35.0586 61.0009 74.9857 -11.0947 74.9857 17.0835 GPRESSAVG: 3140400 -38.7007 -36.0685 -11.3905 -34.2222 61.8819 76.3107 -10.957 74.1432 16.3875 TIMING: 3140400 CPU: 9918.13, 0.00319089/step Wall: 9918.13, 0.00319089/step, 1.64827 hours remaining, 234.832031 MB of memory in use. ENERGY: 3140400 3970.3966 20395.4286 14371.3522 235.7883 -203338.7679 2732.3445 0.0000 0.0000 51946.9759 -109686.4819 298.5400 -161633.4578 -109327.5245 298.0059 41.0020 75.4952 761896.3126 13.1459 13.1896 PRESSURE: 3140600 -324.874 -29.9739 146.729 -29.974 51.64 -84.0715 146.73 -84.0723 88.369 GPRESSURE: 3140600 -229.183 -144.854 127.217 41.6627 26.7823 -98.4458 20.5705 -20.0074 110.856 PRESSAVG: 3140600 9.9558 17.8012 -39.2777 17.8012 16.8126 32.5971 -39.2776 32.5971 -17.6258 GPRESSAVG: 3140600 9.97264 18.5978 -38.7076 16.195 15.8348 32.1126 -40.5467 33.7227 -16.3948 TIMING: 3140600 CPU: 9918.75, 0.00311726/step Wall: 9918.75, 0.00311726/step, 1.61007 hours remaining, 234.832031 MB of memory in use. ENERGY: 3140600 4011.1894 20402.2664 14439.3384 254.7221 -203217.4821 2624.9669 0.0000 0.0000 52135.4655 -109349.5333 299.6232 -161484.9988 -108988.9998 298.6787 -61.6216 -30.5149 759479.5697 3.0475 3.1375 PRESSURE: 3140800 26.9423 428.825 -243.652 428.826 -136.336 117.26 -243.652 117.26 451.44 GPRESSURE: 3140800 71.5209 252.932 -166.1 305.241 -83.0917 104.742 -172.444 -112.733 452.42 PRESSAVG: 3140800 -37.6096 -20.6775 11.8601 -20.6775 18.164 38.6626 11.8601 38.6627 -7.40669 GPRESSAVG: 3140800 -37.2113 -22.6341 12.554 -20.3355 18.4858 38.3747 12.8374 36.5809 -8.00057 TIMING: 3140800 CPU: 9919.37, 0.00311922/step Wall: 9919.37, 0.00311922/step, 1.6109 hours remaining, 234.832031 MB of memory in use. ENERGY: 3140800 3989.9996 20592.1397 14319.2522 228.1198 -202732.9343 2407.3531 0.0000 0.0000 52101.2988 -109094.7712 299.4269 -161196.0700 -108728.9998 299.8113 114.0157 146.9498 761763.1169 -8.9508 -8.9087 PRESSURE: 3141000 -271.811 -17.8557 -52.2084 -17.8548 0.642561 20.4277 -52.209 20.4269 0.209244 GPRESSURE: 3141000 -212.537 18.0279 -49.0325 40.1613 -4.42833 -16.5937 -43.4395 51.9695 31.9972 PRESSAVG: 3141000 -43.7503 20.8146 -6.24284 20.8147 35.6502 -23.4431 -6.24287 -23.4431 4.72021 GPRESSAVG: 3141000 -44.7339 22.3883 -8.49813 21.538 36.502 -24.2754 -5.11123 -22.9057 4.40955 TIMING: 3141000 CPU: 9920, 0.00314001/step Wall: 9920, 0.00314001/step, 1.62147 hours remaining, 234.832031 MB of memory in use. ENERGY: 3141000 3956.8610 20570.0654 14446.8747 255.8012 -203047.5036 2447.2143 0.0000 0.0000 52422.3375 -108948.3494 301.2719 -161370.6869 -108569.4011 300.3698 -90.3198 -61.6561 760544.0351 -1.1266 -1.2741 PRESSURE: 3141200 23.8976 -72.0988 -17.8826 -72.0986 268.485 75.1223 -17.8823 75.1222 204.817 GPRESSURE: 3141200 -13.9168 -59.4474 -36.2882 -144.819 385.418 19.8146 36.8576 131.816 203.487 PRESSAVG: 3141200 -2.41699 -29.0175 44.8686 -29.0175 23.9078 53.0771 44.8686 53.0771 2.05395 GPRESSAVG: 3141200 -2.72539 -30.4098 44.9835 -29.2983 23.2065 54.4063 41.5745 54.2454 2.87616 TIMING: 3141200 CPU: 9920.63, 0.00312638/step Wall: 9920.63, 0.00312638/step, 1.61425 hours remaining, 234.832031 MB of memory in use. ENERGY: 3141200 3902.3434 20708.0493 14354.4132 251.7021 -203181.0020 2733.8926 0.0000 0.0000 52141.3552 -109089.2462 299.6571 -161230.6013 -108727.9594 299.9965 165.7333 191.6629 761767.0665 7.8483 7.7858 PRESSURE: 3141400 -192.946 -84.5305 95.3407 -84.5318 267.234 -128.118 95.3405 -128.117 354.6 GPRESSURE: 3141400 -141.187 -110.093 143.672 -141.24 331.968 -172.92 208.938 -5.19626 341.923 PRESSAVG: 3141400 -47.7528 -50.8669 -5.66663 -50.8668 54.3555 -14.8117 -5.66666 -14.8116 0.493458 GPRESSAVG: 3141400 -46.5035 -51.6155 -4.64829 -49.1518 54.2712 -16.9662 -1.56465 -11.7408 -0.633685 TIMING: 3141400 CPU: 9921.25, 0.00311586/step Wall: 9921.25, 0.00311586/step, 1.60865 hours remaining, 234.832031 MB of memory in use. ENERGY: 3141400 4017.9117 20693.9780 14359.7704 259.6902 -203685.9078 2967.7868 0.0000 0.0000 52319.6836 -109067.0870 300.6819 -161386.7707 -108717.8750 300.1807 142.9629 177.5681 761434.8381 2.3654 2.3780 PRESSURE: 3141600 140.068 -290.75 -32.4751 -290.749 541.981 88.9579 -32.4747 88.9582 31.8005 GPRESSURE: 3141600 144.684 -267.143 -92.071 -243.572 618.57 100.855 32.0466 120.406 21.3305 PRESSAVG: 3141600 -29.6412 -43.3721 29.9665 -43.3721 77.795 5.08001 29.9665 5.07999 9.06769 GPRESSAVG: 3141600 -30.7409 -42.6681 30.9314 -44.8544 78.2927 7.01536 29.195 0.616824 9.30281 TIMING: 3141600 CPU: 9921.88, 0.00312877/step Wall: 9921.88, 0.00312877/step, 1.61514 hours remaining, 234.832031 MB of memory in use. ENERGY: 3141600 3939.2315 20403.1792 14513.8485 262.1331 -203136.8567 2628.7316 0.0000 0.0000 52356.3404 -109033.3924 300.8926 -161389.7328 -108654.3335 300.5074 237.9499 261.5282 761409.2577 19.0739 18.9515 PRESSURE: 3141800 220.365 -78.3645 -82.9975 -78.3649 -177.963 -109.386 -82.9967 -109.386 45.2034 GPRESSURE: 3141800 179.406 -119.975 -107.192 11.8699 -188.892 -35.1869 -31.8371 -94.8834 164.379 PRESSAVG: 3141800 -37.008 -38.5339 -34.8353 -38.5339 13.9211 -19.8485 -34.8354 -19.8485 -5.07126 GPRESSAVG: 3141800 -37.771 -37.432 -35.1812 -38.7715 13.0397 -19.922 -35.7013 -17.9725 -4.09829 TIMING: 3141800 CPU: 9922.51, 0.00315877/step Wall: 9922.51, 0.00315877/step, 1.63045 hours remaining, 234.832031 MB of memory in use. ENERGY: 3141800 4029.5794 20627.6866 14407.0300 246.5418 -202816.2162 2486.8399 0.0000 0.0000 52005.2128 -109013.3257 298.8747 -161018.5385 -108659.1664 300.0760 29.2020 51.6313 763000.1905 -9.3860 -9.6099 PRESSURE: 3142000 273.297 68.6491 99.1499 68.6485 -111.465 -41.206 99.1494 -41.2061 -126.539 GPRESSURE: 3142000 254.433 97.7749 86.3363 49.4864 -83.5827 -91.4182 145.159 47.0431 -46.0484 PRESSAVG: 3142000 11.4166 -18.0652 3.74497 -18.0652 18.7902 -0.842556 3.74494 -0.842573 8.1713 GPRESSAVG: 3142000 11.7477 -17.2195 4.79902 -17.7896 19.337 -2.94174 3.01575 0.319035 7.3472 TIMING: 3142000 CPU: 9923.13, 0.00313746/step Wall: 9923.13, 0.00313746/step, 1.61928 hours remaining, 234.832031 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: 3142000 4014.0058 20525.5907 14419.9810 237.7361 -203401.2979 2732.6201 0.0000 0.0000 52397.7533 -109073.6110 301.1306 -161471.3643 -108696.3868 300.0157 11.7644 41.6005 761407.0856 12.7927 12.8106 PRESSURE: 3142200 90.0157 -24.3006 248.787 -24.3 -229.357 0.642339 248.787 0.640522 154.873 GPRESSURE: 3142200 49.1103 -31.0396 260.224 5.49336 -204.214 90.0147 284.03 -58.6068 251.701 PRESSAVG: 3142200 47.5346 -62.6936 -8.61834 -62.6935 -33.2061 49.9028 -8.61834 49.9027 5.29962 GPRESSAVG: 3142200 47.3022 -64.4478 -10.268 -62.3129 -32.7558 51.481 -7.34646 49.2838 4.84822 TIMING: 3142200 CPU: 9923.76, 0.00314418/step Wall: 9923.76, 0.00314418/step, 1.62257 hours remaining, 234.832031 MB of memory in use. ENERGY: 3142200 4021.8156 20415.9168 14457.0351 252.8974 -203669.6007 3054.3864 0.0000 0.0000 52125.7748 -109341.7745 299.5675 -161467.5493 -108977.2753 299.8262 5.1772 32.1990 761849.6845 6.5427 6.4649 PRESSURE: 3142400 -209.238 58.1673 33.5344 58.1665 -63.9961 129.088 33.5333 129.089 -48.3755 GPRESSURE: 3142400 -176.115 72.918 -1.29641 131.37 -59.3758 133.616 -52.8317 125.925 -8.54356 PRESSAVG: 3142400 -40.6349 -12.6709 29.508 -12.671 22.7528 27.8587 29.5079 27.8587 -7.31251 GPRESSAVG: 3142400 -39.9998 -13.5027 29.6263 -13.853 21.4178 27.7222 29.0434 27.3602 -6.61395 TIMING: 3142400 CPU: 9924.39, 0.00314323/step Wall: 9924.39, 0.00314323/step, 1.6219 hours remaining, 234.832031 MB of memory in use. ENERGY: 3142400 4058.8876 20628.0354 14416.5474 239.0793 -203140.5403 2496.1184 0.0000 0.0000 51954.7637 -109347.1085 298.5847 -161301.8722 -108991.9284 299.6459 -107.2034 -81.3448 762961.1438 -8.3982 -8.3986 PRESSURE: 3142600 -196.99 -122.224 -76.8659 -122.225 218.196 -151.709 -76.8661 -151.709 -104.327 GPRESSURE: 3142600 -106.368 -132.43 -148.503 -99.01 222.16 -121.15 -13.3509 -120.748 -108.178 PRESSAVG: 3142600 -40.7826 40.0525 -47.4076 40.0525 32.9814 41.6922 -47.4076 41.6923 8.41562 GPRESSAVG: 3142600 -41.8648 42.0833 -46.6737 39.5564 33.2727 41.0331 -48.5606 44.9827 9.19487 TIMING: 3142600 CPU: 9925.02, 0.00314564/step Wall: 9925.02, 0.00314564/step, 1.62298 hours remaining, 234.832031 MB of memory in use. ENERGY: 3142600 4058.6699 20557.2346 14413.8809 248.1959 -203300.9747 2591.3473 0.0000 0.0000 51932.3359 -109499.3101 298.4558 -161431.6460 -109136.7004 299.0777 -27.7070 2.5382 761680.5792 0.2048 0.2009 PRESSURE: 3142800 -223.654 168.995 -19.9983 168.995 -197.528 180.69 -19.9985 180.69 -415.992 GPRESSURE: 3142800 -147.805 142.881 11.5007 84.2457 -182.821 237.67 -70.2052 71.4317 -420.359 PRESSAVG: 3142800 4.39178 -22.8493 55.483 -22.8493 -20.0491 5.9004 55.4829 5.90037 14.1844 GPRESSAVG: 3142800 5.39413 -23.3887 53.454 -21.312 -20.4694 6.10648 56.0724 3.28688 13.8667 TIMING: 3142800 CPU: 9925.65, 0.00314417/step Wall: 9925.65, 0.00314417/step, 1.62204 hours remaining, 234.832031 MB of memory in use. ENERGY: 3142800 3976.7431 20529.9181 14340.3906 240.3684 -203448.6534 2595.3816 0.0000 0.0000 52179.4056 -109586.4461 299.8758 -161765.8517 -109227.9203 299.1345 -279.0578 -250.3283 761763.1119 -0.4910 -0.4028 PRESSURE: 3143000 -138.847 128.325 15.3016 128.326 -94.4903 -174.099 15.3021 -174.1 170.707 GPRESSURE: 3143000 -132.602 74.6752 -3.1795 115.718 -4.12036 -115.488 -79.9808 -226.255 135.22 PRESSAVG: 3143000 -42.5993 -16.7421 -7.85982 -16.7421 26.5752 21.0197 -7.85988 21.0197 3.33097 GPRESSAVG: 3143000 -43.209 -18.3323 -9.31136 -17.3768 28.7377 21.79 -7.15356 22.2579 1.62723 TIMING: 3143000 CPU: 9926.28, 0.00313391/step Wall: 9926.28, 0.00313391/step, 1.61657 hours remaining, 234.832031 MB of memory in use. ENERGY: 3143000 3961.4986 20588.3629 14375.1834 238.8518 -203701.9261 2698.3798 0.0000 0.0000 52064.1577 -109775.4919 299.2134 -161839.6496 -109415.8994 298.5482 -20.8767 -0.5008 760074.4504 -4.2311 -4.2814 PRESSURE: 3143200 -94.6929 43.1728 54.1393 43.1734 208.911 -189.539 54.1397 -189.54 -111.058 GPRESSURE: 3143200 17.0376 44.1684 -15.6359 36.4257 101.172 -180.188 157.276 -198.495 -38.5488 PRESSAVG: 3143200 15.8793 -1.65661 -25.3424 -1.6566 -5.9498 -6.52826 -25.3424 -6.52825 35.4108 GPRESSAVG: 3143200 16.0228 -1.50617 -21.6992 -2.99706 -7.03112 -6.63547 -26.0481 -8.93077 36.2615 TIMING: 3143200 CPU: 9926.91, 0.00315333/step Wall: 9926.91, 0.00315333/step, 1.62642 hours remaining, 234.832031 MB of memory in use. ENERGY: 3143200 3956.7747 20583.3924 14327.6282 244.3922 -203146.6810 2549.5506 0.0000 0.0000 51942.8703 -109542.0725 298.5164 -161484.9429 -109187.4832 298.7060 1.0535 26.5537 763308.4430 15.1134 15.0844 PRESSURE: 3143400 -320.854 -138.5 -22.5684 -138.5 -227.972 -12.8696 -22.5681 -12.8691 235.57 GPRESSURE: 3143400 -338.91 -182.906 -41.895 -105.034 -167.735 -101.076 4.44881 -38.1384 271.949 PRESSAVG: 3143400 -1.05553 13.2042 35.6393 13.2041 36.6145 -38.2528 35.6393 -38.2528 -21.8248 GPRESSAVG: 3143400 -0.16923 13.7856 36.0572 13.4046 36.2434 -38.307 36.967 -39.138 -22.0384 TIMING: 3143400 CPU: 9927.54, 0.00313844/step Wall: 9927.54, 0.00313844/step, 1.61856 hours remaining, 234.832031 MB of memory in use. ENERGY: 3143400 3941.8488 20770.4239 14374.1047 250.8328 -203168.6194 2597.5486 0.0000 0.0000 51935.2218 -109298.6388 298.4724 -161233.8606 -108946.6860 299.0309 -104.4188 -78.2320 762460.4183 4.5781 4.6786 PRESSURE: 3143600 204.815 -242.67 -220.375 -242.669 370.779 -39.2178 -220.376 -39.2174 226.517 GPRESSURE: 3143600 293.13 -155.887 -247.117 -215.387 369.047 -41.9821 -201.251 4.61862 214.471 PRESSAVG: 3143600 -104.654 -65.1577 -33.1189 -65.1577 84.4367 25.5771 -33.119 25.5771 -15.9154 GPRESSAVG: 3143600 -105.628 -64.8818 -34.3417 -63.8854 83.8182 26.2677 -33.7716 25.738 -14.4548 TIMING: 3143600 CPU: 9928.16, 0.00313613/step Wall: 9928.16, 0.00313613/step, 1.6172 hours remaining, 234.832031 MB of memory in use. ENERGY: 3143600 3925.9314 20565.8370 14470.3935 234.5496 -203621.9163 2891.6539 0.0000 0.0000 52175.8377 -109357.7131 299.8553 -161533.5509 -109000.6193 299.2502 267.3706 292.2159 761721.4880 -12.0442 -12.0881 PRESSURE: 3143800 -398.067 -173.322 13.2322 -173.323 -255.043 -237.674 13.2323 -237.673 -418.699 GPRESSURE: 3143800 -369.361 -151.908 -20.0804 -112.374 -184.549 -244.975 101.472 -188.188 -424.18 PRESSAVG: 3143800 -46.511 -13.8523 -35.8088 -13.8524 28.5174 -1.28729 -35.8088 -1.28725 26.5664 GPRESSAVG: 3143800 -45.8859 -13.6257 -35.8979 -11.8961 28.8956 -1.29853 -36.751 -1.68599 26.0603 TIMING: 3143800 CPU: 9928.79, 0.00314463/step Wall: 9928.79, 0.00314464/step, 1.62141 hours remaining, 234.832031 MB of memory in use. ENERGY: 3143800 3942.9306 20698.5252 14373.2392 246.2397 -203386.4206 2635.3625 0.0000 0.0000 52040.3515 -109449.7718 299.0766 -161490.1233 -109086.6730 299.3756 -357.2697 -326.0298 763688.1774 2.8576 3.0233 PRESSURE: 3144000 -395.762 -238.552 -90.6206 -238.552 315.427 -81.1416 -90.6209 -81.1417 57.435 GPRESSURE: 3144000 -371.18 -105.603 -26.148 -155.89 322.686 -0.225511 -65.6166 -48.9723 86.9814 PRESSAVG: 3144000 22.9103 -31.478 -29.118 -31.478 23.9228 28.1341 -29.118 28.1341 10.6145 GPRESSAVG: 3144000 23.6217 -32.2871 -30.4017 -30.5425 24.2604 26.8153 -27.667 29.2443 9.97588 TIMING: 3144000 CPU: 9929.42, 0.00311832/step Wall: 9929.42, 0.00311832/step, 1.60767 hours remaining, 234.832031 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: 3144000 4030.4910 20610.4789 14342.0684 264.2051 -203948.0673 3095.0921 0.0000 0.0000 52120.5395 -109485.1923 299.5375 -161605.7318 -109120.6793 298.9339 -7.6333 12.8290 761988.5638 19.1492 19.2860 PRESSURE: 3144200 -41.4722 -228.227 275.041 -228.227 193.887 77.8271 275.04 77.8268 229.37 GPRESSURE: 3144200 17.4219 -296.767 217.358 -349.485 160.892 2.19081 168.654 18.199 281.425 PRESSAVG: 3144200 -73.9071 2.39979 -3.40455 2.39982 58.2517 35.2122 -3.40456 35.2122 8.10157 GPRESSAVG: 3144200 -75.5527 2.91337 -1.93111 1.39175 58.6832 36.3561 -5.0407 35.3257 8.69435 TIMING: 3144200 CPU: 9930.04, 0.00314192/step Wall: 9930.04, 0.00314192/step, 1.61966 hours remaining, 234.832031 MB of memory in use. ENERGY: 3144200 3910.0572 20702.9082 14421.5457 237.5922 -203963.3554 3028.2637 0.0000 0.0000 51902.5059 -109760.4825 298.2844 -161662.9883 -109406.2659 299.2767 127.2617 153.2464 762162.4107 -2.5179 -2.7251 LDB: ============= START OF LOAD BALANCING ============== 9942.57 LDB: ============== END OF LOAD BALANCING =============== 9942.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9942.58 LDB: ============= START OF LOAD BALANCING ============== 9942.89 LDB: Largest compute 7075 load 0.032958 is 16.8% of average load 0.195640 LDB: Average compute 0.004364 is 2.2% of average load 0.195640 LDB: TIME 9942.89 LOAD: AVG 0.19564 MAX 0.2135 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.574 MB LDB: TIME 9942.89 LOAD: AVG 0.19564 MAX 0.2135 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: TIME 9942.89 LOAD: AVG 0.19564 MAX 0.2135 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: ============== END OF LOAD BALANCING =============== 9942.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9942.9 PRESSURE: 3144400 151.46 145.948 -69.3688 145.948 225.864 -12.0301 -69.3683 -12.0303 -45.6913 GPRESSURE: 3144400 202.475 -31.2358 -54.1268 113.452 283.08 2.52659 -35.1999 36.0235 -59.4364 PRESSAVG: 3144400 -11.8139 -17.7681 2.15525 -17.7681 24.6394 48.8232 2.15527 48.8232 4.89782 GPRESSAVG: 3144400 -10.057 -18.9796 1.45253 -19.7056 24.2212 48.0541 0.769117 49.1751 3.8122 TIMING: 3144400 CPU: 9930.68, 0.00320414/step Wall: 9930.68, 0.00320414/step, 1.65156 hours remaining, 234.816406 MB of memory in use. ENERGY: 3144400 3894.5844 20507.5343 14383.1719 248.7652 -203979.1507 3004.4962 0.0000 0.0000 52006.4344 -109934.1643 298.8817 -161940.5987 -109564.7009 298.8218 110.5442 142.0395 762520.2453 5.9078 5.9922 PRESSURE: 3144600 -74.5186 41.3666 75.1016 41.3666 -148.831 198.408 75.1025 198.407 -190.924 GPRESSURE: 3144600 10.6161 -23.5252 -20.6677 31.8251 -191.371 169.591 181.099 153.51 -139.733 PRESSAVG: 3144600 -18.0669 1.26373 -1.22041 1.26372 67.5988 7.26024 -1.22045 7.26016 1.07866 GPRESSAVG: 3144600 -19.0547 3.4155 -0.684473 1.13777 68.0399 7.55872 1.43511 6.11502 1.15873 TIMING: 3144600 CPU: 9931.31, 0.00311749/step Wall: 9931.31, 0.00311749/step, 1.60672 hours remaining, 235.019531 MB of memory in use. ENERGY: 3144600 3976.1253 20336.3284 14372.7905 243.1486 -203549.7475 2584.1791 0.0000 0.0000 52089.9112 -109947.2645 299.3614 -162037.1757 -109575.8952 298.5234 -138.0911 -106.8292 760693.4954 16.8702 16.7146 PRESSURE: 3144800 216.151 260.328 -131.646 260.328 234.31 -27.0739 -131.646 -27.0735 189.586 GPRESSURE: 3144800 239.195 280.3 -130.69 216.635 234.322 -30.3517 -184.247 -91.4514 261.456 PRESSAVG: 3144800 -56.4074 37.2775 11.2534 37.2775 42.9693 -33.4057 11.2534 -33.4056 -5.97133 GPRESSAVG: 3144800 -56.6854 37.0945 11.9559 37.4477 42.482 -35.2221 10.2817 -33.4615 -4.48764 TIMING: 3144800 CPU: 9931.93, 0.00312116/step Wall: 9931.93, 0.00312116/step, 1.60844 hours remaining, 235.019531 MB of memory in use. ENERGY: 3144800 3961.6924 20467.9873 14424.1698 237.4554 -203499.0696 2720.3775 0.0000 0.0000 51801.9726 -109885.4147 297.7066 -161687.3872 -109535.2629 298.1988 213.3489 244.9911 761304.2678 -6.4698 -6.2304 PRESSURE: 3145000 -48.534 25.2678 -9.46145 25.2678 -78.5341 -360.276 -9.46066 -360.277 53.3049 GPRESSURE: 3145000 -36.6065 32.1843 1.36306 81.0028 -11.9257 -290.305 131.747 -326.899 40.5559 PRESSAVG: 3145000 60.1725 11.2453 -16.9487 11.2453 -10.6044 5.34052 -16.9487 5.34047 -10.2356 GPRESSAVG: 3145000 59.528 12.3613 -15.7758 11.3058 -9.06655 5.67228 -17.3583 5.05137 -11.0939 TIMING: 3145000 CPU: 9932.56, 0.0031192/step Wall: 9932.56, 0.0031192/step, 1.60725 hours remaining, 235.019531 MB of memory in use. ENERGY: 3145000 3985.3622 20538.3438 14432.0335 265.8459 -203255.9008 2372.8679 0.0000 0.0000 51799.3838 -109862.0638 297.6918 -161661.4476 -109501.5246 298.1788 -24.5877 -2.6588 761152.5737 13.1108 13.1225 PRESSURE: 3145200 46.1973 -158.837 -43.8271 -158.838 202.863 108.099 -43.827 108.1 -51.3854 GPRESSURE: 3145200 55.1381 -62.9488 -61.4405 -201.087 219.869 135.976 -57.7107 -10.0361 1.87216 PRESSAVG: 3145200 -21.1595 34.1537 -50.704 34.1537 23.6339 41.9719 -50.7039 41.9718 -11.137 GPRESSAVG: 3145200 -20.6777 33.5703 -53.2985 34.2831 22.8466 44.3987 -49.2918 43.3207 -11.1664 TIMING: 3145200 CPU: 9933.18, 0.00312309/step Wall: 9933.18, 0.00312309/step, 1.60909 hours remaining, 235.019531 MB of memory in use. ENERGY: 3145200 3932.3738 20456.9207 14347.5356 250.2804 -203511.1575 2589.5509 0.0000 0.0000 52028.5967 -109905.8994 299.0091 -161934.4960 -109537.0263 298.4651 65.8918 92.2931 760555.8222 -2.8875 -2.9991 PRESSURE: 3145400 -138.516 72.9542 -127.027 72.955 144.473 36.0986 -127.027 36.0975 260.756 GPRESSURE: 3145400 -75.3475 -24.8194 -163.879 63.0542 126.95 3.22949 -80.8468 -38.8813 296.464 PRESSAVG: 3145400 -73.1631 35.9347 -76.2307 35.9347 112.51 9.94462 -76.2307 9.94469 19.9893 GPRESSAVG: 3145400 -74.0974 33.8526 -74.1843 35.555 112.213 8.88775 -78.8563 6.715 21.4187 TIMING: 3145400 CPU: 9933.81, 0.00312222/step Wall: 9933.81, 0.00312222/step, 1.60846 hours remaining, 235.019531 MB of memory in use. ENERGY: 3145400 3882.8690 20409.5991 14351.0490 228.2043 -203773.1422 2877.2684 0.0000 0.0000 52123.2200 -109900.9325 299.5529 -162024.1524 -109533.9266 298.1888 88.9041 116.0221 759372.6597 19.7788 19.8448 PRESSURE: 3145600 135.277 0.071242 -6.4981 0.0720083 -6.85759 58.5638 -6.49917 58.5649 -269.502 GPRESSURE: 3145600 92.3556 2.34848 -27.0317 50.315 62.5684 58.3961 86.7083 103.175 -194.387 PRESSAVG: 3145600 -30.161 -45.5464 26.7138 -45.5464 0.102724 -38.8712 26.7138 -38.8711 22.0989 GPRESSAVG: 3145600 -29.1847 -45.3397 26.6035 -44.0251 0.350252 -38.7365 28.1913 -36.6111 21.4396 TIMING: 3145600 CPU: 9934.43, 0.0031428/step Wall: 9934.43, 0.0031428/step, 1.61889 hours remaining, 235.019531 MB of memory in use. ENERGY: 3145600 3936.3768 20464.3967 14422.8836 259.6299 -203552.3407 2719.6423 0.0000 0.0000 51971.6941 -109777.7174 298.6820 -161749.4115 -109411.2681 298.0398 -47.0276 -13.1543 759662.3139 -2.6531 -2.4650 PRESSURE: 3145800 -218.802 -113.568 70.8741 -113.568 -66.7173 -420.241 70.8745 -420.241 -117.421 GPRESSURE: 3145800 -228.785 -59.2104 138.972 -111.693 -0.50786 -408.32 -40.395 -349.901 -72.2674 PRESSAVG: 3145800 12.4958 -72.2253 -27.8862 -72.2253 -36.6248 -31.1511 -27.8862 -31.151 18.0275 GPRESSAVG: 3145800 13.386 -71.8634 -28.5212 -72.9672 -36.7267 -32.6092 -26.644 -30.3719 17.1064 TIMING: 3145800 CPU: 9935.06, 0.00313622/step Wall: 9935.06, 0.00313622/step, 1.61533 hours remaining, 235.019531 MB of memory in use. ENERGY: 3145800 4047.6517 20600.1345 14341.3588 251.8884 -203673.9765 2605.3558 0.0000 0.0000 52116.1868 -109711.4004 299.5124 -161827.5873 -109348.1862 298.6333 -134.3133 -100.5202 761371.7108 -2.0338 -2.0781 PRESSURE: 3146000 -205.921 229.222 -41.992 229.222 -181.754 -53.8896 -41.992 -53.8888 15.5146 GPRESSURE: 3146000 -206.041 245.646 -1.5231 88.8487 -147.869 49.1408 -83.5846 -36.3347 62.81 PRESSAVG: 3146000 -61.4958 -63.9178 11.7146 -63.9179 -1.24998 -15.3774 11.7146 -15.3774 -11.2567 GPRESSAVG: 3146000 -60.2605 -61.9076 11.1747 -64.7536 -2.23197 -13.7659 10.0714 -15.5642 -11.4075 TIMING: 3146000 CPU: 9935.69, 0.00313757/step Wall: 9935.69, 0.00313757/step, 1.61585 hours remaining, 235.019531 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: 3146000 4040.4893 20541.5700 14266.6405 243.0796 -203267.7120 2460.7506 0.0000 0.0000 52027.5485 -109687.6335 299.0030 -161715.1820 -109324.6933 299.1677 -124.0533 -97.0335 761875.2846 -24.6675 -24.6333 PRESSURE: 3146200 -101.692 45.6579 -53.3965 45.6582 46.3459 248.016 -53.3974 248.015 238.23 GPRESSURE: 3146200 15.2289 -33.6291 1.08758 72.025 59.5662 195.986 24.8809 151.701 185.785 PRESSAVG: 3146200 -17.8137 17.9561 -11.4227 17.9561 -1.4393 13.2479 -11.4227 13.2479 30.4637 GPRESSAVG: 3146200 -19.5857 17.3366 -11.9118 18.7827 0.00156568 12.0784 -8.55726 11.8815 30.4916 TIMING: 3146200 CPU: 9936.32, 0.00313861/step Wall: 9936.32, 0.00313861/step, 1.61621 hours remaining, 235.019531 MB of memory in use. ENERGY: 3146200 3930.3572 20608.3368 14411.3699 241.8469 -203312.0612 2541.0058 0.0000 0.0000 52141.1682 -109437.9763 299.6560 -161579.1446 -109074.8986 299.2529 60.9615 86.8601 760677.5543 3.7369 3.6358 PRESSURE: 3146400 25.046 -7.3158 -244.312 -7.31543 176.973 -187.238 -244.312 -187.239 219.026 GPRESSURE: 3146400 -1.99677 -49.1761 -210.297 -9.25711 313.798 -101.616 -243.81 -235.98 207.202 PRESSAVG: 3146400 -29.4234 35.38 49.7995 35.38 6.89451 -11.5862 49.7995 -11.5862 -33.0444 GPRESSAVG: 3146400 -29.1696 33.6459 51.7289 34.6196 5.39771 -9.45212 47.3494 -12.3345 -32.2753 TIMING: 3146400 CPU: 9936.95, 0.00315152/step Wall: 9936.95, 0.00315152/step, 1.62268 hours remaining, 235.019531 MB of memory in use. ENERGY: 3146400 3991.6145 20522.7519 14379.6147 255.0434 -203392.2075 2730.9483 0.0000 0.0000 52165.3662 -109346.8685 299.7951 -161512.2347 -108985.3981 299.3241 140.3485 173.0012 760391.8353 -18.5244 -18.6824 PRESSURE: 3146600 -135.053 29.2041 -231.418 29.2027 -189.7 -96.5674 -231.417 -96.5672 -653.822 GPRESSURE: 3146600 -158.813 99.0209 -281.678 88.4117 -134.459 -55.3122 -297.058 57.138 -621.405 PRESSAVG: 3146600 -50.4436 -18.8624 31.7659 -18.8623 64.2426 -5.07881 31.7658 -5.07882 -4.113 GPRESSAVG: 3146600 -51.3226 -18.3344 32.3428 -18.1438 65.4289 -5.20321 31.8744 -2.90973 -4.51386 TIMING: 3146600 CPU: 9937.58, 0.00315563/step Wall: 9937.58, 0.00315563/step, 1.62462 hours remaining, 235.019531 MB of memory in use. ENERGY: 3146600 4035.4987 20545.1678 14414.6234 233.2032 -203390.9064 2506.7997 0.0000 0.0000 52107.0800 -109548.5337 299.4601 -161655.6137 -109195.4696 299.3803 -326.1916 -304.8925 760981.1508 3.2287 3.1975 PRESSURE: 3146800 67.6735 -154.691 -91.1049 -154.692 -7.63386 20.1517 -91.1055 20.1515 197.837 GPRESSURE: 3146800 9.51444 -146.162 -82.2384 -115.955 83.7823 19.2015 -123.363 -63.0186 237.457 PRESSAVG: 3146800 -43.696 23.4066 -5.08007 23.4067 47.2826 -91.5646 -5.08004 -91.5647 -9.79474 GPRESSAVG: 3146800 -43.8285 24.9189 -6.93947 21.9294 46.8491 -92.6652 -3.20523 -90.7011 -9.05391 TIMING: 3146800 CPU: 9938.21, 0.00314335/step Wall: 9938.21, 0.00314335/step, 1.61813 hours remaining, 235.019531 MB of memory in use. ENERGY: 3146800 3989.7956 20531.0197 14314.1637 260.4115 -203236.9442 2702.0821 0.0000 0.0000 52114.2680 -109325.2034 299.5014 -161439.4714 -108968.2350 298.7805 85.9590 110.2511 761859.6542 -2.0694 -2.0111 PRESSURE: 3147000 -60.3933 116.005 -12.1576 116.003 -21.3966 -45.6172 -12.158 -45.6164 -114.4 GPRESSURE: 3147000 -137.723 129.356 -55.0937 189.348 14.2782 -79.431 18.4153 -39.3244 35.3769 PRESSAVG: 3147000 5.38247 9.7708 40.5276 9.77079 15.5113 -27.6164 40.5276 -27.6163 13.2615 GPRESSAVG: 3147000 6.98495 8.33132 41.8442 9.07323 15.001 -29.2788 39.9535 -26.8812 12.2507 TIMING: 3147000 CPU: 9938.84, 0.00314522/step Wall: 9938.84, 0.00314522/step, 1.61892 hours remaining, 235.019531 MB of memory in use. ENERGY: 3147000 3950.6012 20612.6113 14437.9442 268.3956 -202877.7915 2281.2198 0.0000 0.0000 52202.5064 -109124.5129 300.0085 -161327.0193 -108758.8311 299.8478 -65.3966 -29.3559 761860.5420 11.3851 11.4122 PRESSURE: 3147200 54.7483 -206.337 29.7336 -206.337 45.5445 119.007 29.7335 119.008 -348.402 GPRESSURE: 3147200 129.934 -284.702 -73.7179 -142.42 41.9658 106.575 42.232 45.4106 -328.382 PRESSAVG: 3147200 60.2252 -27.2474 28.9905 -27.2475 3.24941 13.8036 28.9905 13.8035 18.9541 GPRESSAVG: 3147200 58.8819 -26.1931 30.1703 -26.8802 4.16078 15.27 26.554 12.2283 19.4574 TIMING: 3147200 CPU: 9939.46, 0.00312338/step Wall: 9939.46, 0.00312338/step, 1.6075 hours remaining, 235.019531 MB of memory in use. ENERGY: 3147200 3994.9051 20570.2956 14462.1470 233.9719 -202741.1537 2441.9027 0.0000 0.0000 51893.6084 -109144.3229 298.2333 -161037.9314 -108787.7946 299.8056 -82.7031 -52.1607 760453.2730 27.4762 27.5000 PRESSURE: 3147400 208.834 -10.7819 100.273 -10.7813 -106.968 9.8463 100.274 9.84714 388.67 GPRESSURE: 3147400 139.172 52.277 197.365 -25.5068 13.6872 5.30104 115.358 -80.891 411.275 PRESSAVG: 3147400 0.239952 -63.438 -1.321 -63.438 33.0005 8.0183 -1.32101 8.01833 -4.75376 GPRESSAVG: 3147400 -0.220804 -63.4283 -3.27042 -61.8969 31.8617 7.84455 1.80891 8.50385 -3.45339 TIMING: 3147400 CPU: 9940.09, 0.00315622/step Wall: 9940.09, 0.00315622/step, 1.62422 hours remaining, 235.019531 MB of memory in use. ENERGY: 3147400 3892.7896 20661.8570 14410.4427 241.7443 -203215.1600 2634.5170 0.0000 0.0000 52153.3086 -109220.5007 299.7258 -161373.8094 -108861.9836 299.5029 163.5118 188.0449 760800.3095 9.4956 9.3958 PRESSURE: 3147600 -126.341 -61.4871 13.0598 -61.4869 92.2232 58.8403 13.0601 58.8403 392.451 GPRESSURE: 3147600 -82.0233 -187.059 9.63431 10.1502 157.864 46.7001 -8.28497 64.0786 385.358 PRESSAVG: 3147600 -47.1012 -22.3464 -29.2352 -22.3464 55.0009 -19.1588 -29.2351 -19.1588 7.92552 GPRESSAVG: 3147600 -46.9195 -22.9024 -30.3057 -22.986 55.7087 -20.1523 -30.8127 -19.0594 7.0026 TIMING: 3147600 CPU: 9940.72, 0.00315009/step Wall: 9940.72, 0.00315009/step, 1.6209 hours remaining, 235.019531 MB of memory in use. ENERGY: 3147600 3993.7531 20591.0440 14351.7261 244.8162 -202831.0408 2550.1085 0.0000 0.0000 51963.6540 -109135.9390 298.6358 -161099.5930 -108773.9880 299.3459 119.4443 153.7331 762334.2913 5.2751 5.2639 PRESSURE: 3147800 99.2924 111.49 118.838 111.49 2.04288 -89.6613 118.837 -89.661 388.498 GPRESSURE: 3147800 73.6203 103.35 68.7083 132.172 61.302 1.61214 135.877 -115.482 451.397 PRESSAVG: 3147800 -30.8955 43.8731 -5.47658 43.8731 24.1845 -5.84479 -5.47657 -5.84475 0.478812 GPRESSAVG: 3147800 -29.8772 42.9819 -3.12613 45.4915 24.8578 -4.02151 -6.46727 -3.68599 -1.16639 TIMING: 3147800 CPU: 9941.35, 0.00312806/step Wall: 9941.35, 0.00312806/step, 1.60939 hours remaining, 235.019531 MB of memory in use. ENERGY: 3147800 3991.0727 20495.9946 14368.7157 230.1667 -203119.6887 2686.6686 0.0000 0.0000 51928.4483 -109418.6220 298.4335 -161347.0703 -109047.4550 299.5048 163.2777 195.4399 762216.7898 -2.0774 -2.0620 PRESSURE: 3148000 -185.421 -32.1142 -85.9629 -32.1134 -117.393 232.801 -85.963 232.802 -113.235 GPRESSURE: 3148000 -136.032 6.3392 -63.9087 22.6647 -99.3186 271.39 -89.7233 190.608 -116.424 PRESSAVG: 3148000 0.814173 19.518 5.58688 19.5181 -11.4341 27.5512 5.58687 27.5513 -9.17801 GPRESSAVG: 3148000 0.996197 19.1168 4.83273 18.1532 -11.9541 26.4098 5.91003 24.3319 -8.43002 TIMING: 3148000 CPU: 9941.98, 0.00314664/step Wall: 9941.98, 0.00314664/step, 1.61877 hours remaining, 235.019531 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: 3148000 3934.2384 20625.9648 14322.3502 248.8126 -203350.5507 2578.6725 0.0000 0.0000 52262.0490 -109378.4632 300.3507 -161640.5122 -109013.1722 298.8562 -138.6829 -117.2582 762641.0709 -6.5993 -6.4627 PRESSURE: 3148200 169.74 -261.644 -79.3617 -261.644 253.796 -211.242 -79.361 -211.242 270.327 GPRESSURE: 3148200 226.174 -265.556 -59.6102 -188.892 251.734 -188.428 -109.34 -190.411 291.028 PRESSAVG: 3148200 33.8325 39.9621 41.1954 39.9621 -72.6437 -17.609 41.1954 -17.609 31.4566 GPRESSAVG: 3148200 33.7882 41.1557 40.0184 40.3817 -72.4526 -18.5704 41.6951 -15.4333 30.9179 TIMING: 3148200 CPU: 9942.6, 0.00313531/step Wall: 9942.6, 0.00313531/step, 1.61277 hours remaining, 235.019531 MB of memory in use. ENERGY: 3148200 3945.5417 20686.2524 14424.6131 239.4582 -203389.9175 2855.8909 0.0000 0.0000 51838.8594 -109399.3018 297.9186 -161238.1612 -109033.5262 299.0522 231.2876 256.3119 760926.2605 -2.4515 -2.5822 LDB: ============= START OF LOAD BALANCING ============== 9955.14 LDB: ============== END OF LOAD BALANCING =============== 9955.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9955.14 LDB: ============= START OF LOAD BALANCING ============== 9955.45 LDB: Largest compute 7075 load 0.035872 is 18.3% of average load 0.195753 LDB: Average compute 0.004363 is 2.2% of average load 0.195753 LDB: TIME 9955.46 LOAD: AVG 0.195753 MAX 0.21742 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.102 MB LDB: TIME 9955.46 LOAD: AVG 0.195753 MAX 0.21742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.102 MB LDB: TIME 9955.46 LOAD: AVG 0.195753 MAX 0.21742 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.102 MB LDB: ============== END OF LOAD BALANCING =============== 9955.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9955.46 PRESSURE: 3148400 -51.2352 -108.414 171.424 -108.413 -46.3813 -1.65189 171.425 -1.65256 -343.393 GPRESSURE: 3148400 -249.601 -145.37 71.8631 -19.3548 164.564 -13.8917 59.0584 -51.9646 -283.284 PRESSAVG: 3148400 34.7204 15.3041 -2.5196 15.3041 24.5536 -7.37973 -2.51961 -7.37979 29.7522 GPRESSAVG: 3148400 34.4056 15.0169 -2.51912 15.6449 25.0006 -6.78319 -1.46561 -8.72113 30.0099 TIMING: 3148400 CPU: 9943.25, 0.00322277/step Wall: 9943.25, 0.00322277/step, 1.65758 hours remaining, 236.164062 MB of memory in use. ENERGY: 3148400 3977.2732 20661.4051 14341.3170 238.8426 -203521.2001 2720.6079 0.0000 0.0000 52078.7576 -109502.9967 299.2973 -161581.7543 -109128.0432 299.2441 -147.0030 -122.7737 761220.2346 29.6754 29.8054 PRESSURE: 3148600 -35.1009 221.308 -7.06794 221.307 141.983 211.255 -7.06812 211.256 553.765 GPRESSURE: 3148600 14.2458 74.3187 -10.5382 296.548 151.987 225.649 50.1633 209.232 602.475 PRESSAVG: 3148600 -61.4892 6.67242 -17.4885 6.67244 40.2525 -10.3879 -17.4885 -10.3878 -4.28287 GPRESSAVG: 3148600 -63.5323 4.22003 -16.7057 7.87171 41.166 -9.42008 -19.1142 -11.0213 -3.32815 TIMING: 3148600 CPU: 9943.88, 0.00316289/step Wall: 9943.88, 0.00316289/step, 1.6266 hours remaining, 236.367188 MB of memory in use. ENERGY: 3148600 4022.2269 20451.6716 14373.0769 247.7109 -203372.3157 2793.2695 0.0000 0.0000 52166.3524 -109318.0076 299.8007 -161484.3599 -108951.7996 299.4609 220.2156 256.2357 760914.4890 -8.5065 -8.5648 PRESSURE: 3148800 -68.3814 -8.64906 -300.31 -8.64938 22.0451 273.176 -300.31 273.175 -624.533 GPRESSURE: 3148800 9.30789 24.9659 -229.206 98.5669 -7.17393 228.355 -319.199 259.999 -584.801 PRESSAVG: 3148800 -61.9074 -27.339 -32.9726 -27.339 111.838 3.1073 -32.9725 3.10726 20.0563 GPRESSAVG: 3148800 -61.2476 -23.1584 -33.3042 -30.0779 110.582 2.38709 -32.2479 2.64094 19.712 TIMING: 3148800 CPU: 9944.51, 0.00314264/step Wall: 9944.51, 0.00314264/step, 1.61602 hours remaining, 236.367188 MB of memory in use. ENERGY: 3148800 3990.0437 20562.3510 14399.4590 251.7043 -203142.4534 2416.9648 0.0000 0.0000 52223.4345 -109298.4961 300.1288 -161521.9306 -108947.2542 299.2497 -223.6230 -194.2222 762563.3243 23.3288 23.0154 PRESSURE: 3149000 -115.704 -113.203 -100.194 -113.203 31.7017 -84.1391 -100.194 -84.1394 -530.702 GPRESSURE: 3149000 -32.5728 -201.123 -102.555 -176.816 54.5446 -97.4961 -57.8933 -47.6887 -549.208 PRESSAVG: 3149000 -36.7292 -9.76485 31.8882 -9.76482 13.2041 -27.287 31.8883 -27.287 5.0285 GPRESSAVG: 3149000 -35.4497 -10.9317 31.2763 -10.201 12.8154 -28.2265 34.5623 -24.9594 4.02916 TIMING: 3149000 CPU: 9945.14, 0.00315241/step Wall: 9945.14, 0.00315241/step, 1.62086 hours remaining, 236.367188 MB of memory in use. ENERGY: 3149000 4004.0043 20515.6460 14413.8203 226.1625 -203349.3014 2784.0680 0.0000 0.0000 52143.7247 -109261.8756 299.6707 -161405.6003 -108896.3210 299.5651 -204.9011 -175.7454 764089.5646 -6.1655 -6.2017 PRESSURE: 3149200 193.079 -80.9452 215.37 -80.945 217.837 -138.275 215.371 -138.275 39.6943 GPRESSURE: 3149200 261.405 -108.482 186.646 -209.902 143.962 -49.3939 249.321 -10.6393 134.216 PRESSAVG: 3149200 11.3707 -17.9198 52.6935 -17.9198 0.173229 -16.6139 52.6935 -16.614 -24.7757 GPRESSAVG: 3149200 10.1381 -20.2993 54.1328 -16.0518 -0.361728 -13.7884 50.2437 -18.548 -22.8336 TIMING: 3149200 CPU: 9945.77, 0.00314598/step Wall: 9945.77, 0.00314598/step, 1.61738 hours remaining, 236.367188 MB of memory in use. ENERGY: 3149200 4006.9063 20527.4492 14440.8470 245.9679 -203785.8762 2981.4548 0.0000 0.0000 52387.0460 -109196.2051 301.0691 -161583.2510 -108823.8062 299.6058 150.2034 179.8609 761137.9155 -4.4106 -4.3524 PRESSURE: 3149400 -174.869 -241.914 416.253 -241.915 -165.199 192.595 416.253 192.595 -145.116 GPRESSURE: 3149400 -106.499 -168.182 456.418 -169.382 -155.246 214.671 423.507 168.287 -142.576 PRESSAVG: 3149400 -84.7359 -14.9452 6.28012 -14.9452 31.8426 -21.6359 6.28016 -21.636 9.48008 GPRESSAVG: 3149400 -83.8159 -14.4405 4.37106 -16.3609 32.135 -23.3312 8.17212 -22.6945 8.20936 TIMING: 3149400 CPU: 9946.4, 0.00315739/step Wall: 9946.4, 0.00315739/step, 1.62307 hours remaining, 236.367188 MB of memory in use. ENERGY: 3149400 3937.6930 20755.3598 14444.1011 260.3030 -203155.6373 2603.8236 0.0000 0.0000 52037.4262 -109116.9306 299.0598 -161154.3568 -108750.4297 299.7987 -161.7280 -134.7737 763162.1162 -14.4711 -14.4905 PRESSURE: 3149600 177.884 35.0997 -147.289 35.0994 -516.208 40.9571 -147.29 40.9577 -10.9812 GPRESSURE: 3149600 66.7767 -24.3782 -107.344 36.6439 -366.553 93.9313 -242.619 61.7021 43.2863 PRESSAVG: 3149600 5.30121 14.9639 52.1803 14.964 9.50948 32.8153 52.1802 32.8154 12.6624 GPRESSAVG: 3149600 5.65378 14.7697 53.3747 15.6866 9.08534 33.6512 49.2386 33.1213 12.6156 TIMING: 3149600 CPU: 9947.03, 0.00313918/step Wall: 9947.03, 0.00313918/step, 1.61354 hours remaining, 236.367188 MB of memory in use. ENERGY: 3149600 4046.5851 20563.8363 14392.6176 232.9667 -203204.7242 2615.2713 0.0000 0.0000 52141.8215 -109211.6257 299.6598 -161353.4472 -108850.7121 299.8569 -116.4351 -85.4968 762605.6650 9.1577 9.1182 PRESSURE: 3149800 175.703 257.286 -164.254 257.286 -114.068 -86.1635 -164.254 -86.1622 -130.102 GPRESSURE: 3149800 150.094 213.788 -142.885 209.688 -52.7368 -142.334 40.8747 -93.6894 -71.9809 PRESSAVG: 3149800 0.970116 72.6167 30.4653 72.6167 -16.8173 55.4493 30.4653 55.4493 27.8825 GPRESSAVG: 3149800 -1.06257 73.4096 31.1119 73.0079 -16.1069 54.1053 31.9155 58.1797 28.8309 TIMING: 3149800 CPU: 9947.66, 0.00313591/step Wall: 9947.66, 0.00313591/step, 1.61168 hours remaining, 236.367188 MB of memory in use. ENERGY: 3149800 3987.7103 20683.8952 14382.5157 251.6822 -203293.7612 2803.2582 0.0000 0.0000 51990.4591 -109194.2405 298.7899 -161184.6996 -108837.3425 299.7902 -22.8222 8.4588 763169.5325 4.0118 3.8871 PRESSURE: 3150000 -600.223 -48.3714 74.4205 -48.3717 65.8752 -68.6556 74.4203 -68.6557 116.06 GPRESSURE: 3150000 -574.28 -52.5067 139.388 -47.0735 121.525 -37.7175 75.0122 -73.3232 123.233 PRESSAVG: 3150000 -8.63597 23.6201 20.0027 23.6201 -33.2012 -40.6547 20.0027 -40.6547 -13.815 GPRESSAVG: 3150000 -7.50204 23.0659 17.9509 22.9286 -34.0783 -40.238 21.9234 -41.5783 -13.7355 TIMING: 3150000 CPU: 9948.28, 0.00314597/step Wall: 9948.28, 0.00314597/step, 1.61668 hours remaining, 236.367188 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: 3150000 4067.9061 20546.3897 14335.3809 242.4206 -203457.2188 2792.5668 0.0000 0.0000 52198.4378 -109274.1168 299.9851 -161472.5545 -108913.0029 299.7275 -139.4290 -109.8407 762578.0831 -18.5507 -18.4386 PRESSURE: 3150200 16.3122 -40.7969 -38.9116 -40.7971 283.444 -135.355 -38.9113 -135.355 -236.102 GPRESSURE: 3150200 18.6855 11.9622 -129.79 -87.9019 275.303 -66.2435 5.34242 -82.8554 -171.951 PRESSAVG: 3150200 -38.1925 26.9064 -18.1824 26.9064 45.2513 23.8282 -18.1824 23.8281 15.3636 GPRESSAVG: 3150200 -37.9499 27.0152 -18.0269 27.5093 45.8145 23.3286 -19.0903 24.0314 14.8349 TIMING: 3150200 CPU: 9948.91, 0.00315206/step Wall: 9948.91, 0.00315206/step, 1.61963 hours remaining, 236.367188 MB of memory in use. ENERGY: 3150200 4005.4914 20653.5333 14448.6918 262.6353 -203138.5523 2629.4492 0.0000 0.0000 51987.4728 -109151.2785 298.7727 -161138.7513 -108793.8730 299.1871 21.2183 40.6791 761115.3366 7.4742 7.5665 PRESSURE: 3150400 198.722 -42.6627 -55.5702 -42.6621 278.815 -74.3735 -55.57 -74.3721 306.276 GPRESSURE: 3150400 140.561 -66.7847 12.6367 -91.1657 393.934 4.00698 -96.2458 -19.166 324.036 PRESSAVG: 3150400 19.8749 26.6206 -19.0232 26.6206 25.0022 10.6781 -19.0233 10.6781 30.2417 GPRESSAVG: 3150400 19.7728 28.9071 -20.4323 25.0286 25.263 10.4225 -21.7103 11.6302 30.2312 TIMING: 3150400 CPU: 9949.55, 0.0031778/step Wall: 9949.55, 0.0031778/step, 1.63268 hours remaining, 236.367188 MB of memory in use. ENERGY: 3150400 4072.8648 20535.9888 14392.2627 261.4139 -203421.2413 2916.4349 0.0000 0.0000 51871.3133 -109370.9628 298.1052 -161242.2762 -109008.2968 299.8210 261.2710 286.1766 761152.1676 25.0396 25.0890 PRESSURE: 3150600 224.693 -130.933 -111.252 -130.933 118.216 74.7781 -111.252 74.778 217.175 GPRESSURE: 3150600 277.205 -168.484 -64.5622 -198.574 176.058 39.4551 -112.498 -32.2876 179.169 PRESSAVG: 3150600 -71.9233 2.52436 -50.3474 2.52445 46.7844 -35.8782 -50.3473 -35.8782 9.13578 GPRESSAVG: 3150600 -71.9339 0.379764 -47.9017 4.49996 46.4702 -34.4522 -48.9601 -38.5226 9.28191 TIMING: 3150600 CPU: 9950.18, 0.00316358/step Wall: 9950.18, 0.00316358/step, 1.6252 hours remaining, 236.367188 MB of memory in use. ENERGY: 3150600 3979.1802 20530.0861 14326.4093 247.3476 -203184.5248 2615.3000 0.0000 0.0000 52324.7779 -109161.4238 300.7112 -161486.2017 -108789.8254 299.2775 186.6946 210.8107 761528.7441 -5.3344 -5.3939 PRESSURE: 3150800 74.551 79.6321 -173.057 79.6325 -126.433 5.29337 -173.056 5.29355 -7.83034 GPRESSURE: 3150800 165.916 113.89 -196.755 32.7829 -137.453 39.9345 -91.9244 -64.9753 3.87254 PRESSAVG: 3150800 -16.5888 34.9512 20.1156 34.9512 62.8505 35.5471 20.1155 35.547 4.77597 GPRESSAVG: 3150800 -16.4362 35.2533 18.5747 34.4657 62.9391 34.9964 19.4256 36.4909 4.60327 TIMING: 3150800 CPU: 9950.81, 0.00315933/step Wall: 9950.81, 0.00315933/step, 1.62284 hours remaining, 236.367188 MB of memory in use. ENERGY: 3150800 3937.2424 20584.0693 14416.8494 246.2667 -203317.9954 2677.2005 0.0000 0.0000 52174.2844 -109282.0828 299.8463 -161456.3672 -108924.8185 299.5543 -19.9043 10.7787 761543.3608 17.0126 17.0354 PRESSURE: 3151000 247.125 -211.598 -13.6911 -211.597 -9.69826 -147.135 -13.6921 -147.136 210.591 GPRESSURE: 3151000 194.893 -268.867 -103.053 -66.8839 90.1839 -100.796 115.034 -49.0671 244.677 PRESSAVG: 3151000 14.4435 12.157 -5.99103 12.157 -29.7517 -53.9734 -5.99103 -53.9734 2.94542 GPRESSAVG: 3151000 15.2677 11.5321 -6.03175 12.5681 -31.1184 -53.7238 -6.01743 -52.1908 3.41256 TIMING: 3151000 CPU: 9951.45, 0.0031648/step Wall: 9951.45, 0.0031648/step, 1.62547 hours remaining, 236.367188 MB of memory in use. ENERGY: 3151000 3921.6359 20573.0634 14444.6595 231.9428 -203434.5829 2677.3880 0.0000 0.0000 52211.9540 -109373.9392 300.0628 -161585.8933 -109027.1511 299.5786 149.3394 176.5843 761099.5097 -4.1209 -4.1460 PRESSURE: 3151200 -211.157 38.9632 -92.0788 38.9639 151.615 264.052 -92.0784 264.051 -33.5982 GPRESSURE: 3151200 -71.3737 -12.9762 -127.59 54.8768 121.35 243.292 -47.9299 219.019 -67.2971 PRESSAVG: 3151200 24.4961 24.0433 -2.52611 24.0433 -73.4787 -41.377 -2.5261 -41.3769 4.84793 GPRESSAVG: 3151200 23.5702 26.4502 -0.720227 22.4854 -71.4236 -39.6686 -1.98103 -42.1572 3.43733 TIMING: 3151200 CPU: 9952.08, 0.0031755/step Wall: 9952.08, 0.0031755/step, 1.6308 hours remaining, 236.367188 MB of memory in use. ENERGY: 3151200 3980.1530 20422.9260 14401.8226 244.4968 -203278.5325 2738.7095 0.0000 0.0000 52081.0240 -109409.4007 299.3104 -161490.4247 -109051.2076 299.0254 -31.0467 -5.7737 763932.8460 -14.7115 -14.8054 PRESSURE: 3151400 -273.822 -27.9371 253.803 -27.9367 155.153 -65.2281 253.802 -65.2282 -128.449 GPRESSURE: 3151400 -164.18 -11.9499 200.824 -44.0749 127.568 -85.3062 316.354 -79.993 -113.054 PRESSAVG: 3151400 -97.4056 13.405 30.5393 13.405 56.7303 -14.4229 30.5394 -14.4229 -19.3314 GPRESSAVG: 3151400 -96.6441 13.899 29.0512 13.9323 56.3463 -16.1732 33.7712 -14.2879 -19.7067 TIMING: 3151400 CPU: 9952.72, 0.00318786/step Wall: 9952.72, 0.00318786/step, 1.63696 hours remaining, 236.367188 MB of memory in use. ENERGY: 3151400 3995.2268 20651.1662 14349.0258 240.0320 -203569.2019 2807.1188 0.0000 0.0000 52290.5390 -109236.0933 300.5144 -161526.6324 -108878.9234 298.9355 -82.3729 -49.8889 763102.8610 -20.0023 -20.0015 PRESSURE: 3151600 -166.529 -116.606 132.709 -116.606 -153.929 56.9087 132.709 56.908 -85.1401 GPRESSURE: 3151600 -203.57 -186.799 172.861 -28.6688 -19.1653 60.8613 118.23 100.079 -92.1147 PRESSAVG: 3151600 4.18052 51.9404 41.9989 51.9404 45.3631 5.8862 41.9989 5.88624 20.814 GPRESSAVG: 3151600 2.60209 50.5431 42.4746 50.8836 47.5081 5.51766 40.5379 5.42058 20.9206 TIMING: 3151600 CPU: 9953.35, 0.00315337/step Wall: 9953.35, 0.00315337/step, 1.61908 hours remaining, 236.367188 MB of memory in use. ENERGY: 3151600 4031.5642 20562.6375 14434.0931 261.5777 -203750.1766 2856.1420 0.0000 0.0000 52102.8797 -109501.2825 299.4360 -161604.1621 -109139.1290 299.5404 -135.1993 -104.9499 762680.6237 23.4526 23.6769 PRESSURE: 3151800 -212.813 101.498 57.4138 101.499 -307.767 -207.824 57.4142 -207.824 244.981 GPRESSURE: 3151800 -179.533 91.0025 81.7152 134.283 -194.272 -208.13 -50.2898 -118.181 181.147 PRESSAVG: 3151800 8.73092 5.04066 -25.1608 5.04073 30.69 -7.33816 -25.1607 -7.33809 13.9554 GPRESSAVG: 3151800 10.3005 6.51047 -23.8174 5.64202 29.7684 -7.1166 -27.7644 -8.40712 13.3223 TIMING: 3151800 CPU: 9953.98, 0.00315513/step Wall: 9953.98, 0.00315513/step, 1.61981 hours remaining, 236.367188 MB of memory in use. ENERGY: 3151800 4037.8710 20500.0586 14307.4357 254.0678 -203350.5020 2606.3142 0.0000 0.0000 52089.4388 -109555.3159 299.3587 -161644.7547 -109204.2907 299.1428 -91.8664 -64.2195 762883.2360 17.7921 17.7971 PRESSURE: 3152000 118.618 -71.5406 -44.7994 -71.541 117.475 -176.658 -44.8 -176.659 541.573 GPRESSURE: 3152000 178.682 -82.2636 -40.9383 -4.83335 99.57 -222.506 -29.5443 -99.7831 588.025 PRESSAVG: 3152000 2.70129 -7.52134 17.2674 -7.5214 -1.82599 -24.1089 17.2674 -24.109 3.41107 GPRESSAVG: 3152000 2.67166 -8.82068 15.1173 -7.88796 -2.29701 -23.3211 18.385 -22.1748 3.7677 TIMING: 3152000 CPU: 9954.61, 0.00315878/step Wall: 9954.61, 0.00315878/step, 1.62151 hours remaining, 236.367188 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: 3152000 3942.9336 20451.1357 14457.5934 240.9745 -203542.2983 2731.3736 0.0000 0.0000 52090.4156 -109627.8719 299.3643 -161718.2875 -109246.8285 298.9043 259.2220 288.7590 761465.9632 1.4288 1.3808 PRESSURE: 3152200 -110.735 -87.4472 5.60353 -87.447 -137.748 -26.5502 5.60349 -26.5506 -73.5517 GPRESSURE: 3152200 -56.2747 -77.4127 21.0671 -36.4745 -84.4591 -77.2715 -64.6919 -22.1429 -82.1841 PRESSAVG: 3152200 27.3215 9.73045 19.8978 9.73047 -22.9978 11.4452 19.8979 11.4452 -19.2804 GPRESSAVG: 3152200 27.6775 8.74638 21.4561 11.6385 -23.0529 11.6727 18.7975 9.44725 -19.81 TIMING: 3152200 CPU: 9955.25, 0.00316312/step Wall: 9955.25, 0.00316312/step, 1.62356 hours remaining, 236.367188 MB of memory in use. ENERGY: 3152200 3929.4799 20438.9582 14366.2499 262.5430 -202584.7845 1988.2761 0.0000 0.0000 52084.9332 -109514.3442 299.3328 -161599.2773 -109143.7743 298.7022 -107.3448 -74.3060 762843.8794 -4.9856 -5.0618 LDB: ============= START OF LOAD BALANCING ============== 9967.78 LDB: ============== END OF LOAD BALANCING =============== 9967.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9967.78 LDB: ============= START OF LOAD BALANCING ============== 9968.1 LDB: Largest compute 7075 load 0.038038 is 19.4% of average load 0.195567 LDB: Average compute 0.004393 is 2.2% of average load 0.195567 LDB: TIME 9968.1 LOAD: AVG 0.195567 MAX 0.217635 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.844 MB LDB: TIME 9968.1 LOAD: AVG 0.195567 MAX 0.217635 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.922 MB LDB: TIME 9968.1 LOAD: AVG 0.195567 MAX 0.217635 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.922 MB LDB: ============== END OF LOAD BALANCING =============== 9968.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9968.11 PRESSURE: 3152400 6.82546 186 1.42747 186 -36.0532 -302.056 1.42651 -302.056 -431.197 GPRESSURE: 3152400 78.0314 229.997 21.5777 144.524 -59.5834 -252.447 -24.5402 -131.621 -384.367 PRESSAVG: 3152400 1.44312 5.82596 -25.6019 5.82601 -5.42826 5.99946 -25.6019 5.99951 -4.85189 GPRESSAVG: 3152400 0.787472 6.70755 -25.9502 2.97525 -5.64196 5.08263 -25.1599 5.47113 -4.27058 TIMING: 3152400 CPU: 9955.89, 0.00323907/step Wall: 9955.89, 0.00323907/step, 1.66236 hours remaining, 235.382812 MB of memory in use. ENERGY: 3152400 4041.3205 20443.2917 14371.3963 232.4044 -203264.1901 2720.9487 0.0000 0.0000 51787.0907 -109667.7377 297.6211 -161454.8284 -109311.5512 298.8629 -153.4749 -121.9730 761046.9714 -2.9457 -3.0417 PRESSURE: 3152600 71.5192 -5.51879 -173.537 -5.51922 14.8374 -8.2549 -173.537 -8.254 -358.086 GPRESSURE: 3152600 9.24637 -4.31988 -195.941 23.8985 128.193 116.213 -142.104 -79.467 -324.765 PRESSAVG: 3152600 -31.8546 -4.02573 3.98754 -4.02564 19.0802 -19.2477 3.98751 -19.2476 53.4274 GPRESSAVG: 3152600 -30.5356 -4.79394 3.64621 -2.75278 18.9457 -18.5013 5.73536 -17.1694 52.3769 TIMING: 3152600 CPU: 9956.53, 0.00315333/step Wall: 9956.53, 0.00315333/step, 1.61818 hours remaining, 235.382812 MB of memory in use. ENERGY: 3152600 3949.9301 20478.9247 14317.8411 235.7099 -203603.0550 2847.4285 0.0000 0.0000 52152.9351 -109620.2857 299.7236 -161773.2208 -109258.7587 299.0512 -90.5763 -62.4420 761461.4287 13.5510 13.5957 PRESSURE: 3152800 109.969 92.5991 -244.529 92.599 -166.117 -54.9243 -244.529 -54.9236 181.226 GPRESSURE: 3152800 63.4797 97.2223 -287.645 156.329 -57.5553 43.5643 -155.439 39.3716 202.252 PRESSAVG: 3152800 -42.3928 6.12379 15.3421 6.12385 16.2321 -30.0741 15.3421 -30.0741 16.1381 GPRESSAVG: 3152800 -43.8262 7.47127 16.9817 5.02865 16.1509 -30.4403 13.8867 -30.49 17.4325 TIMING: 3152800 CPU: 9957.16, 0.00315768/step Wall: 9957.16, 0.00315768/step, 1.62024 hours remaining, 235.449219 MB of memory in use. ENERGY: 3152800 4015.0912 20474.1786 14479.0471 233.3515 -203640.9728 2755.4668 0.0000 0.0000 51896.6191 -109787.2186 298.2506 -161683.8377 -109428.7846 298.7178 41.6924 69.3922 760993.8127 -3.3409 -3.4143 PRESSURE: 3153000 -228.043 123.96 231.082 123.96 -127.608 24.6238 231.082 24.6236 32.7147 GPRESSURE: 3153000 -203.588 199.759 224.071 94.7424 -10.9033 1.41738 241.43 113.457 -25.7523 PRESSAVG: 3153000 9.04451 24.2353 24.6006 24.2353 3.37373 -23.193 24.6006 -23.1931 17.9767 GPRESSAVG: 3153000 9.14548 22.9231 22.585 24.6212 3.74854 -23.7024 26.4899 -23.0119 17.9291 TIMING: 3153000 CPU: 9957.79, 0.0031541/step Wall: 9957.79, 0.0031541/step, 1.61823 hours remaining, 235.652344 MB of memory in use. ENERGY: 3153000 3917.9482 20444.0054 14384.5827 235.9505 -202876.3068 2408.0042 0.0000 0.0000 52050.1709 -109435.6450 299.1330 -161485.8159 -109080.4298 299.0957 -107.6454 -80.0811 762590.8332 10.1316 10.2744 PRESSURE: 3153200 -379.283 117.371 4.67699 117.37 -106.566 255.463 4.67647 255.463 -350.412 GPRESSURE: 3153200 -320.247 -51.4461 50.998 74.4051 -117.946 235.584 46.0855 178.153 -290.34 PRESSAVG: 3153200 28.1028 -22.8253 14.3117 -22.8253 -30.4157 15.3288 14.3117 15.3287 18.7327 GPRESSAVG: 3153200 28.3174 -23.1753 16.4823 -22.2782 -30.7978 16.0601 11.3726 15.177 19.2908 TIMING: 3153200 CPU: 9958.42, 0.00315706/step Wall: 9958.42, 0.00315706/step, 1.61957 hours remaining, 235.652344 MB of memory in use. ENERGY: 3153200 4021.7419 20481.3082 14362.1147 266.6779 -203416.3509 2760.2274 0.0000 0.0000 52069.1802 -109455.1005 299.2423 -161524.2807 -109092.1715 299.5129 -278.7539 -242.8445 762591.7433 5.4733 5.6035 PRESSURE: 3153400 -239.716 -146.858 -91.4506 -146.858 -93.9655 75.5925 -91.4509 75.5925 2.87917 GPRESSURE: 3153400 -131.799 -67.9397 -58.266 -74.4193 -141.785 47.5771 -13.2975 -18.4653 37.8713 PRESSAVG: 3153400 -12.6843 -15.3965 -23.9367 -15.3966 19.6831 11.8928 -23.9368 11.8928 13.4984 GPRESSAVG: 3153400 -11.3923 -13.9352 -26.0491 -14.8264 19.6432 12.4996 -23.5529 11.1178 12.4111 TIMING: 3153400 CPU: 9959.05, 0.00317372/step Wall: 9959.05, 0.00317372/step, 1.62794 hours remaining, 235.652344 MB of memory in use. ENERGY: 3153400 4059.1536 20482.4786 14302.5860 266.7683 -203485.7815 2816.9664 0.0000 0.0000 51734.6699 -109823.1588 297.3199 -161557.8286 -109453.9414 298.4665 -110.2675 -78.5707 762051.9411 6.8324 6.8874 PRESSURE: 3153600 218.826 100.258 -168.606 100.257 199.495 -327.891 -168.606 -327.89 -467.761 GPRESSURE: 3153600 237.345 41.0077 -106.57 22.9856 171.841 -230.643 -149.487 -295.911 -387.224 PRESSAVG: 3153600 21.8785 -42.493 -42.6511 -42.493 10.1369 30.5011 -42.6512 30.501 -11.9467 GPRESSAVG: 3153600 22.1 -43.0173 -41.2874 -42.0592 9.77407 29.5843 -41.3431 32.2479 -11.8037 TIMING: 3153600 CPU: 9959.69, 0.00318499/step Wall: 9959.69, 0.00318499/step, 1.63355 hours remaining, 235.652344 MB of memory in use. ENERGY: 3153600 4027.4675 20473.0341 14348.9671 242.0040 -203640.4497 2699.8923 0.0000 0.0000 51947.2766 -109901.8080 298.5417 -161849.0847 -109530.7906 298.2676 -16.4801 7.3206 760877.5833 6.6896 6.6901 PRESSURE: 3153800 116.756 -160.794 268.059 -160.794 -295.066 -209.86 268.059 -209.861 -219.232 GPRESSURE: 3153800 46.7686 -157.42 318.502 -129.976 -172.139 -188.276 170.891 -262.435 -185.122 PRESSAVG: 3153800 87.6923 -26.4362 4.57205 -26.4362 -96.7113 -15.9146 4.5721 -15.9145 -7.42211 GPRESSAVG: 3153800 86.9421 -27.728 4.0072 -26.2841 -96.9884 -14.572 3.09059 -18.3839 -6.16038 TIMING: 3153800 CPU: 9960.33, 0.0031891/step Wall: 9960.33, 0.0031891/step, 1.63548 hours remaining, 235.652344 MB of memory in use. ENERGY: 3153800 4044.6559 20576.4957 14396.0298 246.0229 -203717.7511 2627.6923 0.0000 0.0000 52018.1604 -109808.6941 298.9491 -161826.8545 -109449.5609 298.3523 -132.5142 -103.4976 761751.2120 -5.4804 -5.4023 PRESSURE: 3154000 -120.777 -18.5299 -65.6307 -18.5292 9.84944 36.8192 -65.6309 36.8176 -284.474 GPRESSURE: 3154000 -110.538 57.1088 -34.786 4.60447 78.1907 63.7841 -70.0752 83.5026 -272.143 PRESSAVG: 3154000 11.0923 31.5413 1.39206 31.5414 -36.5803 -6.88589 1.39208 -6.88593 -2.73186 GPRESSAVG: 3154000 10.5417 31.4845 1.8734 29.1974 -35.3785 -7.20804 1.08051 -5.99034 -3.62452 TIMING: 3154000 CPU: 9960.96, 0.00317811/step Wall: 9960.96, 0.00317811/step, 1.62966 hours remaining, 235.652344 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: 3154000 4023.1717 20520.7522 14365.2029 238.3336 -203411.2834 2659.2047 0.0000 0.0000 52032.7246 -109571.8937 299.0328 -161604.6183 -109201.2609 298.3181 -131.8006 -101.4966 763109.0874 -9.4066 -9.4871 PRESSURE: 3154200 182.033 -147.301 105.725 -147.302 -150.139 107.749 105.725 107.748 108.149 GPRESSURE: 3154200 258.148 -117.948 37.0522 -201.359 -91.7443 131.572 143.151 15.9429 76.6309 PRESSAVG: 3154200 63.9043 -33.053 20.5211 -33.053 -37.5726 11.5345 20.521 11.5346 -7.55378 GPRESSAVG: 3154200 64.927 -32.1326 21.3908 -30.2246 -37.7076 10.8365 19.5833 13.4352 -8.46205 TIMING: 3154200 CPU: 9961.6, 0.00316774/step Wall: 9961.6, 0.00316774/step, 1.62417 hours remaining, 235.652344 MB of memory in use. ENERGY: 3154200 4014.0163 20335.7312 14397.8469 252.7016 -203303.8047 2883.1078 0.0000 0.0000 51880.3154 -109540.0854 298.1569 -161420.4009 -109177.4858 298.6089 46.6812 81.0117 763067.4960 6.2593 6.2525 PRESSURE: 3154400 150.472 -17.5084 28.0382 -17.5089 -38.0315 33.7732 28.0386 33.7735 188.337 GPRESSURE: 3154400 118.58 -54.9671 -0.169346 -35.9619 14.0158 76.5117 -26.2398 -146.034 250.773 PRESSAVG: 3154400 0.0466859 -3.49435 56.1421 -3.49438 -11.2792 16.0713 56.1421 16.0714 9.62295 GPRESSAVG: 3154400 -0.570243 -3.36135 56.0937 -4.77711 -10.4751 15.6801 57.7256 16.2153 8.95425 TIMING: 3154400 CPU: 9962.23, 0.00316803/step Wall: 9962.23, 0.00316803/step, 1.62415 hours remaining, 235.652344 MB of memory in use. ENERGY: 3154400 3958.3172 20629.6477 14465.0163 250.4086 -203363.7098 2828.1553 0.0000 0.0000 51693.2422 -109538.9225 297.0818 -161232.1647 -109189.8899 298.4454 100.2593 127.7895 761805.0621 -0.5365 -0.6970 PRESSURE: 3154600 -204.028 -216.735 0.0239953 -216.735 -41.075 180.688 0.0234914 180.688 -10.8596 GPRESSURE: 3154600 -95.0749 -124.731 23.6979 -96.2325 -89.3517 155.929 -80.9389 64.2782 -2.86114 PRESSAVG: 3154600 -1.56556 -41.6197 0.263881 -41.6197 3.47209 -15.5617 0.263829 -15.5617 -4.62351 GPRESSAVG: 3154600 -1.33806 -41.7868 -1.03447 -42.2175 3.00297 -13.5179 0.930502 -17.5138 -4.01402 TIMING: 3154600 CPU: 9962.86, 0.00315297/step Wall: 9962.86, 0.00315297/step, 1.61625 hours remaining, 235.652344 MB of memory in use. ENERGY: 3154600 4009.7975 20437.9864 14313.2748 244.3020 -203544.1145 2784.0513 0.0000 0.0000 52218.8248 -109535.8776 300.1023 -161754.7024 -109174.2312 298.8341 -85.3210 -62.4292 762257.6093 -0.9057 -0.7830 PRESSURE: 3154800 -169.982 -48.3998 43.4741 -48.3995 96.7389 2.99783 43.4739 2.99799 -53.3889 GPRESSURE: 3154800 -136.827 -94.778 31.2406 43.7887 185.941 113.707 82.3558 -48.1014 -93.5624 PRESSAVG: 3154800 -0.819858 20.8152 -17.7071 20.8151 9.12129 -15.4422 -17.7071 -15.4422 10.9139 GPRESSAVG: 3154800 0.620327 21.1778 -17.2047 22.1888 8.80688 -16.7438 -19.0768 -12.6723 9.66644 TIMING: 3154800 CPU: 9963.49, 0.00313615/step Wall: 9963.49, 0.00313616/step, 1.60745 hours remaining, 235.652344 MB of memory in use. ENERGY: 3154800 4050.1368 20426.9709 14401.0941 242.2727 -203298.5786 2655.5530 0.0000 0.0000 52062.3141 -109460.2371 299.2028 -161522.5512 -109095.0579 298.8058 -42.2106 -14.8164 761655.4629 6.4051 6.3645 PRESSURE: 3155000 -93.0006 -49.5634 -152.013 -49.5635 100.513 16.0037 -152.013 16.0034 58.7583 GPRESSURE: 3155000 -42.2819 100.283 -146.794 -16.6803 182.482 -17.4375 21.6531 48.3375 3.8437 PRESSAVG: 3155000 113.204 -12.2755 -35.9873 -12.2755 -46.139 -30.6514 -35.9872 -30.6515 13.9946 GPRESSAVG: 3155000 111.638 -11.8138 -37.5897 -10.6158 -45.4701 -30.386 -31.4341 -31.1444 14.7745 TIMING: 3155000 CPU: 9964.12, 0.00315165/step Wall: 9964.12, 0.00315165/step, 1.61522 hours remaining, 235.652344 MB of memory in use. ENERGY: 3155000 3976.2454 20583.0003 14381.1492 233.3439 -203154.0909 2615.0948 0.0000 0.0000 52224.3547 -109140.9026 300.1341 -161365.2573 -108776.8314 299.5593 22.0903 48.0146 762032.7616 27.0198 26.9806 PRESSURE: 3155200 349.502 84.9752 -16.3271 84.9755 -441.384 176.048 -16.3271 176.049 239.555 GPRESSURE: 3155200 271.932 31.0978 -98.7257 88.2252 -316.587 121.509 20.3475 168.18 269.442 PRESSAVG: 3155200 -23.209 -53.8546 -34.536 -53.8546 32.5608 -45.3478 -34.536 -45.3478 3.17052 GPRESSAVG: 3155200 -23.8469 -52.0499 -33.2863 -56.8339 31.8981 -46.5835 -36.0569 -45.3762 3.86707 TIMING: 3155200 CPU: 9964.75, 0.00316021/step Wall: 9964.75, 0.00316021/step, 1.61943 hours remaining, 235.652344 MB of memory in use. ENERGY: 3155200 4011.9150 20534.3060 14364.3099 239.9953 -203563.5460 2863.9725 0.0000 0.0000 52294.6906 -109254.3566 300.5383 -161549.0472 -108898.3815 299.6739 49.2246 74.9290 760495.4297 4.1741 3.9728 PRESSURE: 3155400 -82.9653 -114.225 -81.7037 -114.225 -149.881 28.7614 -81.7045 28.7622 -259.254 GPRESSURE: 3155400 -40.0282 -154.367 -44.0722 -146.536 -183.06 -32.0905 -83.5932 27.0882 -191.178 PRESSAVG: 3155400 12.45 -7.76011 -16.5505 -7.76011 -58.5933 -32.9187 -16.5505 -32.9187 -6.57983 GPRESSAVG: 3155400 13.0958 -8.656 -16.3069 -8.6054 -59.3794 -32.4814 -17.4745 -31.4796 -6.90206 TIMING: 3155400 CPU: 9965.38, 0.00315781/step Wall: 9965.38, 0.00315781/step, 1.61803 hours remaining, 235.652344 MB of memory in use. ENERGY: 3155400 3955.6382 20522.4577 14406.9019 232.9592 -202782.7154 2391.2633 0.0000 0.0000 52001.5376 -109271.9575 298.8536 -161273.4951 -108912.1843 299.5294 -164.0333 -138.0888 761832.1726 -17.5744 -17.7286 PRESSURE: 3155600 9.59605 -7.91278 -87.1233 -7.91351 -109.92 -426.486 -87.1236 -426.484 -51.1016 GPRESSURE: 3155600 123.329 78.6647 -101.385 -19.4197 -98.7042 -449.391 -164.509 -338.312 -74.3585 PRESSAVG: 3155600 33.3919 -31.9315 -24.7887 -31.9315 -22.2916 -11.4801 -24.7887 -11.48 -13.0001 GPRESSAVG: 3155600 32.9228 -36.2176 -23.8798 -28.3209 -21.102 -11.6367 -24.658 -12.8116 -13.4106 TIMING: 3155600 CPU: 9966.01, 0.00315792/step Wall: 9966.01, 0.00315791/step, 1.6179 hours remaining, 235.652344 MB of memory in use. ENERGY: 3155600 3960.4496 20511.5375 14377.4436 250.4468 -203060.7990 2739.6746 0.0000 0.0000 52221.4709 -108999.7761 300.1175 -161221.2469 -108629.5583 299.8122 -50.4753 -16.5777 764108.2743 -0.6332 -0.5299 PRESSURE: 3155800 -72.6781 -141.64 -29.8174 -141.639 -6.05943 8.20596 -29.8183 8.2053 16.65 GPRESSURE: 3155800 53.1926 -178.36 -52.8321 -186.352 31.612 46.2572 141.108 69.0106 -54.8773 PRESSAVG: 3155800 -2.0479 10.6818 -36.7165 10.6818 -36.5637 -40.7375 -36.7165 -40.7375 14.1785 GPRESSAVG: 3155800 -0.841367 12.3306 -37.532 10.2825 -36.2127 -39.824 -38.0134 -40.8043 13.471 TIMING: 3155800 CPU: 9966.64, 0.00314644/step Wall: 9966.64, 0.00314644/step, 1.61185 hours remaining, 235.652344 MB of memory in use. ENERGY: 3155800 3970.5756 20542.1155 14442.0972 244.4582 -202976.1919 2653.9138 0.0000 0.0000 51994.5937 -109128.4379 298.8136 -161123.0317 -108767.3500 299.7866 -20.6958 9.9758 764111.3244 -8.1444 -7.8610 PRESSURE: 3156000 -146.469 -68.9868 -56.5439 -68.9864 99.3902 -73.1749 -56.5453 -73.1754 -414.479 GPRESSURE: 3156000 -92.3645 -49.7855 -91.5521 17.9212 41.4704 -7.87389 -81.081 -90.1088 -317.205 PRESSAVG: 3156000 19.8486 -54.5126 -39.399 -54.5126 -20.0272 -66.723 -39.399 -66.7231 -9.3838 GPRESSAVG: 3156000 19.2245 -52.8619 -39.3899 -54.8257 -21.5449 -65.617 -37.7067 -69.53 -7.64921 TIMING: 3156000 CPU: 9967.28, 0.00315689/step Wall: 9967.28, 0.00315689/step, 1.61703 hours remaining, 235.652344 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: 3156000 3920.8842 20584.5757 14446.2406 252.2092 -203024.5427 2396.3516 0.0000 0.0000 52157.8483 -109266.4332 299.7519 -161424.2815 -108912.7477 299.6593 -153.8528 -122.6999 762255.7310 -3.1875 -3.3232 PRESSURE: 3156200 8.71437 99.4587 362.153 99.4594 78.9558 -56.5514 362.152 -56.5512 -174.015 GPRESSURE: 3156200 2.97641 -30.6331 345.22 97.8312 171.818 -20.9924 285.902 -44.1377 -185.732 PRESSAVG: 3156200 2.75739 23.396 10.2722 23.396 26.653 -53.7877 10.2721 -53.7877 -0.521647 GPRESSAVG: 3156200 3.70637 22.9882 8.39287 23.1316 27.8168 -54.7966 10.5442 -50.3871 -2.85284 TIMING: 3156200 CPU: 9967.91, 0.00317621/step Wall: 9967.91, 0.00317621/step, 1.62675 hours remaining, 235.652344 MB of memory in use. ENERGY: 3156200 3967.8889 20412.0684 14445.8325 231.9547 -203292.5517 2625.6886 0.0000 0.0000 52326.6967 -109282.4217 300.7222 -161609.1185 -108919.5329 299.4620 -28.7817 -3.6460 762591.7561 9.6296 9.5568 LDB: ============= START OF LOAD BALANCING ============== 9980.44 LDB: ============== END OF LOAD BALANCING =============== 9980.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9980.45 LDB: ============= START OF LOAD BALANCING ============== 9980.76 LDB: Largest compute 7075 load 0.037261 is 19.0% of average load 0.195609 LDB: Average compute 0.004371 is 2.2% of average load 0.195609 LDB: TIME 9980.76 LOAD: AVG 0.195609 MAX 0.21805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.25 MB LDB: TIME 9980.76 LOAD: AVG 0.195609 MAX 0.21805 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.25 MB LDB: TIME 9980.76 LOAD: AVG 0.195609 MAX 0.21805 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.25 MB LDB: ============== END OF LOAD BALANCING =============== 9980.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9980.77 PRESSURE: 3156400 -100.286 30.795 67.1411 30.7948 -155.256 -214.968 67.1414 -214.968 -209.638 GPRESSURE: 3156400 -6.13191 29.0613 63.7864 33.7952 -131.541 -192.038 68.8138 -76.1117 -238.696 PRESSAVG: 3156400 41.7163 -20.4965 42.7512 -20.4965 -22.6859 -38.7509 42.7512 -38.7509 3.67752 GPRESSAVG: 3156400 40.8258 -19.5732 45.1254 -20.9659 -22.8007 -38.7644 42.5536 -39.5882 4.60996 TIMING: 3156400 CPU: 9968.56, 0.00322438/step Wall: 9968.56, 0.00322438/step, 1.65124 hours remaining, 235.437500 MB of memory in use. ENERGY: 3156400 4076.7082 20578.1133 14401.8950 231.4935 -202859.4752 2295.2596 0.0000 0.0000 52294.0867 -108981.9189 300.5348 -161276.0056 -108619.1578 299.9386 -155.0602 -125.4561 760998.3532 7.5693 7.5450 PRESSURE: 3156600 -90.2561 24.2759 -10.7419 24.2756 30.3543 -158.874 -10.7426 -158.873 -343.085 GPRESSURE: 3156600 -91.7363 11.1175 44.7127 3.82238 76.1597 -144.148 60.743 -80.1548 -301.569 PRESSAVG: 3156600 0.81784 -5.58169 1.81413 -5.58169 8.66139 -42.7785 1.8141 -42.7785 -12.9815 GPRESSAVG: 3156600 -1.34562 -6.91819 1.75623 -6.0676 9.08359 -43.653 2.20389 -43.8298 -11.3319 TIMING: 3156600 CPU: 9969.18, 0.00314414/step Wall: 9969.18, 0.00314414/step, 1.60997 hours remaining, 235.437500 MB of memory in use. ENERGY: 3156600 4014.0871 20517.6386 14404.5909 251.4229 -203189.8516 2704.4364 0.0000 0.0000 52422.4060 -108875.2696 301.2723 -161297.6756 -108505.5021 299.9661 -134.3288 -105.7151 762278.9829 -1.1674 -1.1980 PRESSURE: 3156800 278.311 30.8247 -94.935 30.8255 186.418 127.036 -94.9364 127.036 202.261 GPRESSURE: 3156800 228.077 -39.9159 -166.856 52.5368 292.787 67.1729 -106.371 122.321 232.761 PRESSAVG: 3156800 -47.3015 40.9996 -54.5347 40.9996 32.0712 -2.73289 -54.5347 -2.7329 -18.0674 GPRESSAVG: 3156800 -46.7837 41.5038 -54.9025 41.1477 30.7247 -2.2096 -57.6461 -1.96565 -16.963 TIMING: 3156800 CPU: 9969.82, 0.00315513/step Wall: 9969.82, 0.00315513/step, 1.61542 hours remaining, 235.437500 MB of memory in use. ENERGY: 3156800 3922.0930 20483.6034 14450.1513 242.1175 -203338.4081 2873.8943 0.0000 0.0000 52535.2205 -108831.3281 301.9206 -161366.5486 -108466.5411 300.2270 222.3299 251.2084 762865.0945 -11.0993 -11.0073 PRESSURE: 3157000 -291.483 74.2604 -298.628 74.2608 -38.1092 122.252 -298.627 122.252 -155.783 GPRESSURE: 3157000 -188.198 74.003 -248 -64.1843 -43.7797 -10.4743 -104.451 207.211 -166.058 PRESSAVG: 3157000 5.41472 -13.407 -77.3798 -13.407 -4.41325 -3.30435 -77.3798 -3.30433 40.6817 GPRESSAVG: 3157000 5.48094 -13.3944 -77.2624 -13.7222 -2.99808 -5.50592 -74.4597 -2.25463 39.3187 TIMING: 3157000 CPU: 9970.45, 0.00318378/step Wall: 9970.45, 0.00318378/step, 1.62992 hours remaining, 235.437500 MB of memory in use. ENERGY: 3157000 3962.9692 20440.1380 14351.5484 247.2314 -202714.3765 2452.2868 0.0000 0.0000 52387.3631 -108872.8398 301.0709 -161260.2028 -108489.3998 300.7700 -161.7916 -132.6785 764194.4667 13.8944 13.9338 PRESSURE: 3157200 -293.54 85.0585 -103.193 85.0569 -39.2573 61.1561 -103.193 61.1559 -302.034 GPRESSURE: 3157200 -243.56 213.733 -123.787 92.846 -93.1129 82.0754 -183.162 -48.6366 -223.936 PRESSAVG: 3157200 -19.4265 -33.0044 -55.6171 -33.0045 15.7284 -21.8863 -55.617 -21.8864 9.34605 GPRESSAVG: 3157200 -19.0889 -31.1784 -56.8351 -31.9867 15.7496 -21.5418 -53.8489 -24.5171 9.37971 TIMING: 3157200 CPU: 9971.08, 0.00316475/step Wall: 9971.08, 0.00316475/step, 1.62 hours remaining, 235.437500 MB of memory in use. ENERGY: 3157200 3951.7083 20609.0558 14341.7216 239.0223 -202847.4370 2349.0469 0.0000 0.0000 52542.4839 -108814.3981 301.9624 -161356.8820 -108458.4104 300.3190 -211.6105 -186.8695 764095.7239 1.8826 2.0135 PRESSURE: 3157400 -230.722 114.845 92.1993 114.846 -70.9381 187.532 92.1991 187.531 112.221 GPRESSURE: 3157400 -191.038 173.533 90.0725 38.3376 -63.0578 197.961 8.1427 148.833 142.996 PRESSAVG: 3157400 15.1325 -43.368 -27.3264 -43.3679 3.79767 14.5911 -27.3264 14.5911 0.933153 GPRESSAVG: 3157400 15.8001 -42.3581 -25.4529 -46.5132 3.70939 14.8486 -28.9355 17.9331 0.0736432 TIMING: 3157400 CPU: 9971.72, 0.00316806/step Wall: 9971.72, 0.00316806/step, 1.62152 hours remaining, 235.437500 MB of memory in use. ENERGY: 3157400 3963.7536 20579.7014 14455.9421 241.8177 -203020.8901 2559.0366 0.0000 0.0000 52344.5248 -108876.1140 300.8247 -161220.6388 -108504.6333 300.2876 -63.1464 -37.0334 761256.2465 6.6211 6.5277 PRESSURE: 3157600 190.998 3.23142 -60.3849 3.23152 -50.6137 147.958 -60.3839 147.957 -251.598 GPRESSURE: 3157600 235.961 -40.8301 -66.8089 -45.6083 24.3931 95.894 -157.442 90.6935 -300.135 PRESSAVG: 3157600 27.7204 -5.24194 -7.20544 -5.2419 -4.57185 -13.0497 -7.20536 -13.0496 -29.0789 GPRESSAVG: 3157600 26.4783 -6.04743 -8.93034 -4.60824 -3.80054 -13.1426 -5.36375 -14.8963 -28.9939 TIMING: 3157600 CPU: 9972.35, 0.0031724/step Wall: 9972.35, 0.0031724/step, 1.62356 hours remaining, 235.437500 MB of memory in use. ENERGY: 3157600 3965.9371 20547.5597 14394.6490 230.6267 -202991.0394 2544.5951 0.0000 0.0000 52122.4514 -109185.2204 299.5484 -161307.6718 -108814.8235 299.9449 -37.0713 -13.2603 760856.6332 -1.9768 -2.1054 PRESSURE: 3157800 -156.453 -35.1111 104.09 -35.1116 16.2821 30.4134 104.09 30.4135 -57.2737 GPRESSURE: 3157800 -64.9208 25.1661 101.035 -29.9791 21.4493 93.923 47.5366 -61.5487 -82.834 PRESSAVG: 3157800 -23.3403 -45.5136 -49.0462 -45.5136 39.9988 -26.3941 -49.0462 -26.3941 19.0853 GPRESSAVG: 3157800 -22.4632 -46.1895 -46.9998 -45.5075 39.0802 -23.8664 -52.3166 -27.3969 19.2176 TIMING: 3157800 CPU: 9972.99, 0.00320126/step Wall: 9972.99, 0.00320126/step, 1.63815 hours remaining, 235.437500 MB of memory in use. ENERGY: 3157800 3941.9990 20731.1670 14419.1587 228.8693 -203163.3395 2414.7356 0.0000 0.0000 52087.9811 -109339.4290 299.3503 -161427.4100 -108987.8875 299.1006 -65.8149 -42.1018 760985.7886 11.9146 11.9449 PRESSURE: 3158000 -80.1223 50.3764 -99.336 50.3759 -137.495 -46.4869 -99.3358 -46.4869 -152.83 GPRESSURE: 3158000 -23.5534 71.7805 -34.7965 81.9996 -81.886 -55.9318 -38.9742 -88.5505 -191.387 PRESSAVG: 3158000 -21.5902 -6.23834 -35.6833 -6.23831 24.815 -27.0477 -35.6834 -27.0478 -0.281078 GPRESSAVG: 3158000 -20.6667 -6.45158 -37.8194 -4.94619 25.6003 -27.9757 -32.08 -25.6561 -1.81126 TIMING: 3158000 CPU: 9973.63, 0.0031927/step Wall: 9973.63, 0.0031927/step, 1.6336 hours remaining, 235.437500 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: 3158000 4001.1331 20514.9433 14442.9491 236.5597 -203048.9685 2444.1560 0.0000 0.0000 52083.5935 -109325.6338 299.3251 -161409.2273 -108950.8705 299.4022 -123.4825 -98.9420 763144.3388 0.9813 1.0408 PRESSURE: 3158200 49.9129 56.9838 124.195 56.9827 12.7489 -52.5129 124.195 -52.5131 476.043 GPRESSURE: 3158200 75.4609 78.6776 119.445 82.6855 28.9007 2.59435 23.3032 20.536 523.84 PRESSAVG: 3158200 -26.3577 39.6478 -34.7218 39.6478 40.0114 -48.272 -34.7218 -48.272 -6.08412 GPRESSAVG: 3158200 -27.1138 38.708 -31.9902 39.6749 39.6971 -48.2081 -37.9675 -49.5083 -5.37761 TIMING: 3158200 CPU: 9974.27, 0.0031734/step Wall: 9974.27, 0.0031734/step, 1.62355 hours remaining, 235.437500 MB of memory in use. ENERGY: 3158200 3932.3936 20601.4816 14440.7323 226.2951 -203413.5473 2798.9781 0.0000 0.0000 51844.2461 -109569.4206 297.9496 -161413.6667 -109210.0686 299.1907 179.5684 209.4005 761552.8465 2.5232 2.4019 PRESSURE: 3158400 -611.878 57.158 403.83 57.1589 -564.701 210.034 403.831 210.034 -334.096 GPRESSURE: 3158400 -505.789 -18.3005 389.076 -37.4011 -535.636 215.349 194.225 226.635 -398.34 PRESSAVG: 3158400 -24.7884 -12.5671 -19.6323 -12.567 -12.5074 -3.31373 -19.6324 -3.31367 31.0476 GPRESSAVG: 3158400 -24.599 -12.0495 -21.9186 -11.7639 -12.9183 -3.92397 -19.5772 -1.99039 31.1555 TIMING: 3158400 CPU: 9974.9, 0.00317189/step Wall: 9974.9, 0.00317189/step, 1.6226 hours remaining, 235.437500 MB of memory in use. ENERGY: 3158400 3991.7445 20503.7801 14463.6539 241.5912 -203105.5540 2197.4041 0.0000 0.0000 52020.3769 -109687.0034 298.9618 -161707.3803 -109338.2004 299.1024 -503.5583 -479.9216 761664.6649 -2.0827 -2.1206 PRESSURE: 3158600 -162.077 52.1887 47.2249 52.1892 96.2045 -32.6859 47.2238 -32.6853 89.1769 GPRESSURE: 3158600 -60.4967 99.2526 101.032 -5.77856 73.1078 -73.6643 87.5417 64.9933 100.103 PRESSAVG: 3158600 29.7708 -54.1239 32.0144 -54.1239 -48.0774 12.5141 32.0144 12.5142 -0.588134 GPRESSAVG: 3158600 30.7747 -53.2402 31.4435 -55.5308 -47.7347 13.5414 37.2632 8.71702 -1.24834 TIMING: 3158600 CPU: 9975.54, 0.00318651/step Wall: 9975.54, 0.00318651/step, 1.6299 hours remaining, 235.437500 MB of memory in use. ENERGY: 3158600 3911.6787 20481.9586 14406.7324 228.4471 -203200.0189 2649.0000 0.0000 0.0000 51848.5343 -109673.6677 297.9742 -161522.2020 -109307.4787 298.7031 7.7681 37.5713 761786.1507 -6.2982 -6.0695 PRESSURE: 3158800 -126.33 170.246 140.675 170.246 -354.505 -184.392 140.675 -184.393 -231.316 GPRESSURE: 3158800 -140.246 169.879 119.418 301.423 -288.977 -179.144 160.247 -83.589 -221.134 PRESSAVG: 3158800 -59.2711 -62.5487 33.7609 -62.5487 17.6261 -22.4516 33.761 -22.4516 -4.45195 GPRESSAVG: 3158800 -59.4636 -61.6725 34.5049 -63.971 18.3573 -23.9045 28.2577 -18.9964 -4.76766 TIMING: 3158800 CPU: 9976.18, 0.00319597/step Wall: 9976.18, 0.00319597/step, 1.63456 hours remaining, 235.437500 MB of memory in use. ENERGY: 3158800 3998.3191 20561.6754 14346.1669 253.1898 -203326.4895 2582.7076 0.0000 0.0000 51952.8333 -109631.5974 298.5736 -161584.4307 -109264.8944 298.4877 -237.3834 -216.7857 763010.3633 -15.3657 -15.2913 PRESSURE: 3159000 -140.767 -145.525 77.7902 -145.525 72.1923 311.46 77.79 311.461 266.232 GPRESSURE: 3159000 0.940433 -43.4786 48.1001 -128.414 4.52566 232.558 210.646 171.261 262.51 PRESSAVG: 3159000 14.4447 -47.6835 2.66558 -47.6835 2.19418 -2.91531 2.66559 -2.91526 -4.09002 GPRESSAVG: 3159000 14.557 -47.9618 1.85613 -46.8061 0.798036 -2.33185 4.60407 -4.39035 -3.1869 TIMING: 3159000 CPU: 9976.81, 0.00316844/step Wall: 9976.81, 0.00316844/step, 1.62031 hours remaining, 235.437500 MB of memory in use. ENERGY: 3159000 3931.0459 20690.7106 14368.6010 229.8739 -203373.7645 2670.0711 0.0000 0.0000 52028.1975 -109455.2645 299.0068 -161483.4620 -109089.9217 298.8146 65.8858 89.3255 761206.7592 4.1830 4.0561 PRESSURE: 3159200 91.0364 47.0871 209.317 47.0873 -252.945 -143.313 209.317 -143.313 -145.874 GPRESSURE: 3159200 116.767 61.5265 209.524 56.0212 -209.387 -58.5311 156.136 -77.1934 -120.647 PRESSAVG: 3159200 53.9497 -27.9004 -5.57917 -27.9003 -40.2418 -33.2973 -5.5792 -33.2972 0.0516559 GPRESSAVG: 3159200 54.3713 -27.3911 -5.94694 -27.1888 -40.7528 -32.836 -4.70478 -34.4692 -0.18299 TIMING: 3159200 CPU: 9977.45, 0.00317544/step Wall: 9977.45, 0.00317544/step, 1.62371 hours remaining, 235.437500 MB of memory in use. ENERGY: 3159200 3962.2867 20595.5312 14383.9125 237.8003 -203309.4109 2572.9846 0.0000 0.0000 52054.8574 -109502.0382 299.1600 -161556.8956 -109140.8247 299.1328 -102.5940 -71.0890 760755.5704 4.5865 4.4785 PRESSURE: 3159400 230.153 -63.4289 -80.0627 -63.4294 -22.9586 138.53 -80.0629 138.53 -293.198 GPRESSURE: 3159400 204.684 -68.0276 -91.4452 -121.862 -21.5014 91.5232 68.6234 125.094 -176.88 PRESSAVG: 3159400 -18.0521 -27.7933 -35.8267 -27.7933 -23.7192 3.11794 -35.8267 3.11803 -19.2251 GPRESSAVG: 3159400 -19.2645 -29.1475 -33.0819 -29.2222 -23.1454 2.8987 -36.66 3.13228 -18.7302 TIMING: 3159400 CPU: 9978.08, 0.00316674/step Wall: 9978.08, 0.00316674/step, 1.61908 hours remaining, 235.437500 MB of memory in use. ENERGY: 3159400 3926.3825 20630.5301 14377.7208 231.9248 -203514.9929 2881.1691 0.0000 0.0000 51903.2948 -109563.9709 298.2889 -161467.2657 -109195.5963 298.8036 -28.6678 2.1007 763531.1531 -20.3321 -20.3800 PRESSURE: 3159600 7.28264 -115.699 176.823 -115.699 -266.953 -268.355 176.822 -268.355 -245.59 GPRESSURE: 3159600 91.2469 -75.6207 102.606 -61.2376 -288.26 -250.353 116.294 -165.986 -206.665 PRESSAVG: 3159600 1.87201 27.6355 -60.4731 27.6354 -11.8856 -2.42294 -60.473 -2.42293 -10.6308 GPRESSAVG: 3159600 2.11765 26.7756 -62.7014 29.5627 -11.3398 -2.79956 -61.1138 -0.471375 -11.4733 TIMING: 3159600 CPU: 9978.71, 0.00317497/step Wall: 9978.71, 0.00317497/step, 1.62311 hours remaining, 235.437500 MB of memory in use. ENERGY: 3159600 3932.5805 20545.7776 14347.0786 227.1907 -203213.5138 2443.6152 0.0000 0.0000 52217.4643 -109499.8070 300.0945 -161717.2713 -109126.8383 298.9085 -168.4201 -134.5594 763114.5300 -6.8814 -6.8985 PRESSURE: 3159800 262.067 125.449 -110.512 125.449 -16.5961 -163.739 -110.513 -163.739 407.932 GPRESSURE: 3159800 255.763 112.397 70.6542 178.398 -10.093 -128.098 -59.9433 -170.176 481.147 PRESSAVG: 3159800 11.0603 30.8702 -34.4274 30.8702 -9.01 -39.391 -34.4274 -39.391 22.4967 GPRESSAVG: 3159800 11.1143 30.9574 -33.7685 32.1835 -10.9025 -40.6172 -34.0534 -40.1306 23.7141 TIMING: 3159800 CPU: 9979.35, 0.00316214/step Wall: 9979.35, 0.00316214/step, 1.61638 hours remaining, 235.437500 MB of memory in use. ENERGY: 3159800 3935.9419 20475.4313 14410.1608 231.9638 -203600.2031 2950.8637 0.0000 0.0000 51972.0208 -109623.8208 298.6839 -161595.8416 -109265.2929 299.0715 217.8008 242.2722 762763.4857 8.1823 7.9753 PRESSURE: 3160000 -287.214 60.7694 77.9176 60.7697 -338.61 114.612 77.9174 114.612 24.8907 GPRESSURE: 3160000 -255.239 -73.1278 9.53822 -76.3391 -248.804 61.6273 77.4608 105.971 -7.6702 PRESSAVG: 3160000 -16.5499 61.0036 44.3337 61.0036 30.316 -9.66909 44.3338 -9.6691 -26.4793 GPRESSAVG: 3160000 -17.49 61.6001 45.2901 59.7856 31.9367 -9.31012 42.5478 -9.48763 -27.5124 TIMING: 3160000 CPU: 9979.97, 0.00314076/step Wall: 9979.97, 0.00314076/step, 1.60528 hours remaining, 235.437500 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: 3160000 3972.9251 20550.5438 14383.0631 218.3414 -203523.3054 2603.7345 0.0000 0.0000 52299.5822 -109495.1152 300.5664 -161794.6975 -109130.9100 298.9559 -200.3114 -170.5708 763341.3564 -4.2377 -4.3552 PRESSURE: 3160200 -250.476 62.366 -158.06 62.3674 18.5453 -46.2968 -158.06 -46.2963 65.4356 GPRESSURE: 3160200 -216.857 74.3878 -97.5595 -28.3701 80.1117 -59.8427 -74.3351 -1.14675 48.5213 PRESSAVG: 3160200 -4.08463 -0.927253 -16.6817 -0.927226 -5.02279 -45.6935 -16.6816 -45.6935 15.2594 GPRESSAVG: 3160200 -4.26705 -1.12231 -17.7583 -1.83547 -6.01083 -44.7604 -14.6057 -46.0692 16.103 TIMING: 3160200 CPU: 9980.6, 0.00314556/step Wall: 9980.6, 0.00314556/step, 1.60756 hours remaining, 235.437500 MB of memory in use. ENERGY: 3160200 4044.8716 20592.7800 14440.3461 246.2045 -203448.6722 2811.8047 0.0000 0.0000 52122.1376 -109190.5278 299.5466 -161312.6654 -108830.6159 299.7935 -55.4985 -29.4079 762935.7414 2.0507 1.9417 LDB: ============= START OF LOAD BALANCING ============== 9993.14 LDB: ============== END OF LOAD BALANCING =============== 9993.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9993.14 LDB: ============= START OF LOAD BALANCING ============== 9993.46 LDB: Largest compute 7075 load 0.036988 is 18.9% of average load 0.195771 LDB: Average compute 0.004379 is 2.2% of average load 0.195771 LDB: TIME 9993.46 LOAD: AVG 0.195771 MAX 0.218147 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.977 MB LDB: TIME 9993.46 LOAD: AVG 0.195771 MAX 0.218147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.184 MB LDB: TIME 9993.46 LOAD: AVG 0.195771 MAX 0.218147 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.184 MB LDB: ============== END OF LOAD BALANCING =============== 9993.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9993.47 PRESSURE: 3160400 70.223 -12.1041 -179.326 -12.1034 -162.102 -62.3435 -179.326 -62.3432 -74.5576 GPRESSURE: 3160400 118.399 -75.8266 -210.285 -36.3764 -186.787 -40.5682 -18.9657 -60.7109 -15.6508 PRESSAVG: 3160400 -11.2488 -9.56805 -11.9013 -9.56808 24.6863 -67.2002 -11.9013 -67.2002 -2.73496 GPRESSAVG: 3160400 -10.3606 -9.80836 -12.8998 -10.5589 25.3259 -68.9232 -10.3991 -65.2293 -3.87931 TIMING: 3160400 CPU: 9981.25, 0.0032459/step Wall: 9981.25, 0.0032459/step, 1.65865 hours remaining, 234.644531 MB of memory in use. ENERGY: 3160400 4077.3488 20516.9367 14396.4214 250.2119 -203799.9151 3050.6667 0.0000 0.0000 52275.4931 -109232.8365 300.4280 -161508.3296 -108865.1438 299.7560 -55.4788 -28.0130 761723.5558 3.5675 3.6953 PRESSURE: 3160600 -274.951 -154.451 -9.93522 -154.451 -110.14 123.446 -9.93588 123.447 10.446 GPRESSURE: 3160600 -227.749 -91.2448 -115.827 -150.576 -95.9098 88.1676 -168.618 92.5012 22.3912 PRESSAVG: 3160600 2.01279 -54.0348 -23.1254 -54.0348 -16.9484 -6.61477 -23.1254 -6.61475 -10.588 GPRESSAVG: 3160600 2.33576 -54.1418 -21.37 -52.2771 -17.8792 -4.74024 -27.1006 -10.009 -10.3544 TIMING: 3160600 CPU: 9981.89, 0.00316243/step Wall: 9981.89, 0.00316243/step, 1.61582 hours remaining, 234.644531 MB of memory in use. ENERGY: 3160600 3993.4183 20505.6509 14408.4837 242.7558 -202995.2268 2472.9146 0.0000 0.0000 51981.1927 -109390.8108 298.7366 -161372.0036 -109036.3592 299.5943 -124.8817 -100.4227 763979.5197 -8.5079 -8.6326 PRESSURE: 3160800 182.734 -11.0034 92.9437 -11.0035 43.2947 28.7188 92.9442 28.7196 51.4621 GPRESSURE: 3160800 230.703 -44.5194 118.94 36.4621 73.1811 51.4133 64.2161 135.244 72.6182 PRESSAVG: 3160800 -75.8523 3.11109 -23.0421 3.11107 34.6107 -4.34796 -23.0421 -4.34798 19.9037 GPRESSAVG: 3160800 -75.6608 4.33757 -23.7323 0.873356 35.2989 -4.71237 -23.2089 -1.54092 19.1171 TIMING: 3160800 CPU: 9982.52, 0.00316934/step Wall: 9982.52, 0.00316933/step, 1.61918 hours remaining, 235.085938 MB of memory in use. ENERGY: 3160800 3978.3569 20608.7487 14385.4117 244.3748 -203629.1581 2936.0365 0.0000 0.0000 52379.9034 -109096.3262 301.0280 -161476.2296 -108735.6021 299.5967 92.4970 125.5007 763513.4640 -7.1126 -7.0816 PRESSURE: 3161000 -436.474 11.6555 -0.16454 11.6558 -322.288 90.2255 -0.164748 90.2265 84.2162 GPRESSURE: 3161000 -416.409 100.834 -89.8403 -47.6052 -325.986 68.6393 65.9678 -0.337019 169.565 PRESSAVG: 3161000 -53.5884 -25.1051 3.55248 -25.1051 53.284 -61.366 3.55258 -61.366 8.62894 GPRESSAVG: 3161000 -54.2082 -25.1402 2.68279 -23.3839 52.3609 -62.5205 6.41183 -59.1375 10.4888 TIMING: 3161000 CPU: 9983.15, 0.00316246/step Wall: 9983.15, 0.00316246/step, 1.61549 hours remaining, 235.085938 MB of memory in use. ENERGY: 3161000 4034.0226 20466.6831 14358.3184 254.2768 -203152.7506 2787.7403 0.0000 0.0000 52156.3446 -109095.3648 299.7432 -161251.7094 -108727.2722 300.0136 -224.8486 -190.9432 763380.5694 2.7749 2.8805 PRESSURE: 3161200 121.235 24.7133 -380.472 24.7137 -314.184 -259.797 -380.472 -259.797 145.947 GPRESSURE: 3161200 56.1375 -8.51833 -435.526 -2.47626 -171.095 -186.525 -392.963 -190.988 145.183 PRESSAVG: 3161200 42.9001 -13.5087 -31.7285 -13.5087 -38.9435 -7.48144 -31.7285 -7.48142 9.21695 GPRESSAVG: 3161200 43.5229 -15.3887 -30.565 -15.4064 -37.4762 -6.06742 -33.2545 -9.98253 7.22202 TIMING: 3161200 CPU: 9983.79, 0.00318012/step Wall: 9983.79, 0.00318012/step, 1.62433 hours remaining, 235.085938 MB of memory in use. ENERGY: 3161200 4090.1008 20548.4484 14421.6989 237.6922 -203080.5401 2762.0116 0.0000 0.0000 52051.9549 -108968.6333 299.1433 -161020.5882 -108619.1681 299.7112 -15.6673 10.0749 762771.1617 4.3912 4.4229 PRESSURE: 3161400 -405.106 -43.0689 120.779 -43.0679 -153.43 98.1057 120.779 98.1052 -74.1294 GPRESSURE: 3161400 -432.662 89.3321 54.1071 102.211 -104.682 130.975 45.2017 -35.4729 -17.5155 PRESSAVG: 3161400 -5.07595 -8.31926 -34.5843 -8.31926 -4.27198 -34.7444 -34.5844 -34.7444 4.82158 GPRESSAVG: 3161400 -5.5955 -5.49717 -36.6952 -8.06853 -4.98957 -36.2385 -34.305 -35.3238 6.19458 TIMING: 3161400 CPU: 9984.42, 0.00318325/step Wall: 9984.42, 0.00318325/step, 1.62576 hours remaining, 235.085938 MB of memory in use. ENERGY: 3161400 3969.5448 20466.6250 14462.8123 261.5200 -203372.6268 2743.9687 0.0000 0.0000 52424.6361 -109043.5197 301.2851 -161468.1559 -108669.3475 300.3189 -210.8883 -184.9531 762777.8945 -1.5088 -1.4635 PRESSURE: 3161600 -220.562 139.326 -237.509 139.326 -254.819 76.3301 -237.509 76.3307 -5.41348 GPRESSURE: 3161600 -134.102 111.39 -98.2928 46.3129 -211.869 21.9459 -265.581 48.5388 -47.8779 PRESSAVG: 3161600 -12.8573 39.1336 -28.5037 39.1336 -3.06565 -11.8737 -28.5037 -11.8738 -1.64691 GPRESSAVG: 3161600 -13.2741 36.7656 -27.1932 40.8321 -2.44085 -11.3906 -28.9814 -14.1874 -1.5139 TIMING: 3161600 CPU: 9985.06, 0.00316341/step Wall: 9985.06, 0.00316341/step, 1.61545 hours remaining, 235.085938 MB of memory in use. ENERGY: 3161600 4029.0460 20560.0650 14462.5303 241.4320 -203565.3191 2781.2534 0.0000 0.0000 52068.7092 -109422.2832 299.2396 -161490.9924 -109064.1617 299.5264 -160.2649 -131.2831 763129.2716 -5.8566 -5.7429 PRESSURE: 3161800 270.043 129.345 -64.156 129.344 -4.07016 -17.5559 -64.1561 -17.5561 -251.402 GPRESSURE: 3161800 303.05 155.001 7.29665 130.016 23.981 -15.4445 -71.4727 -106.781 -255.146 PRESSAVG: 3161800 -20.3277 -14.4539 -30.3994 -14.4539 12.5347 -0.0540988 -30.3994 -0.0541013 0.950699 GPRESSAVG: 3161800 -18.4446 -14.6361 -30.2676 -14.094 11.1603 0.787254 -28.6615 1.81078 0.16952 TIMING: 3161800 CPU: 9985.69, 0.003155/step Wall: 9985.69, 0.003155/step, 1.61098 hours remaining, 235.085938 MB of memory in use. ENERGY: 3161800 3973.2250 20618.0865 14386.0869 241.6851 -203640.6277 2827.8108 0.0000 0.0000 52036.1332 -109557.6002 299.0524 -161593.7334 -109190.2766 299.3351 4.8570 23.9617 763276.8829 -2.2808 -2.3716 PRESSURE: 3162000 264.063 167.161 -14.7419 167.161 -133.26 -2.78947 -14.7434 -2.78858 122.095 GPRESSURE: 3162000 198.853 256.351 -11.6693 218.728 20.8263 29.733 107.392 -69.0965 112.007 PRESSAVG: 3162000 -20.7717 -52.4642 -9.85095 -52.4642 40.5533 17.9124 -9.85097 17.9124 -1.32672 GPRESSAVG: 3162000 -21.5789 -50.3106 -10.5217 -52.7917 40.8733 17.8333 -10.9026 16.0484 -0.848512 TIMING: 3162000 CPU: 9986.32, 0.00314417/step Wall: 9986.32, 0.00314417/step, 1.60528 hours remaining, 235.085938 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: 3162000 3872.6913 20663.6424 14407.7303 243.2189 -202926.9018 2310.0976 0.0000 0.0000 51895.1563 -109534.3650 298.2422 -161429.5213 -109163.7346 299.0680 84.2994 110.5619 762560.1194 6.1516 6.1486 PRESSURE: 3162200 -67.3906 -60.9669 -59.9639 -60.9673 262.253 -69.7643 -59.9645 -69.7634 -138.188 GPRESSURE: 3162200 -101.378 -25.0621 -68.4263 33.4847 372.867 -22.1039 -174.402 -179.312 -144.161 PRESSAVG: 3162200 -24.595 -27.0806 -10.51 -27.0806 12.9479 4.50809 -10.5099 4.50813 10.7912 GPRESSAVG: 3162200 -23.704 -27.4725 -10.1075 -28.6936 13.6381 3.57524 -10.1679 6.84884 9.70395 TIMING: 3162200 CPU: 9986.95, 0.0031534/step Wall: 9986.95, 0.0031534/step, 1.60981 hours remaining, 235.085938 MB of memory in use. ENERGY: 3162200 3999.6621 20649.7733 14433.4943 254.4715 -203621.7002 2799.0120 0.0000 0.0000 52097.0698 -109388.2171 299.4026 -161485.2869 -109029.9405 299.4651 18.8915 42.4428 761772.3695 -0.2853 -0.1206 PRESSURE: 3162400 -668.545 132.914 19.6602 132.914 -274.727 92.4997 19.6599 92.4989 56.4288 GPRESSURE: 3162400 -606.064 97.9184 56.1536 152.496 -286.862 95.1904 -34.8697 79.7335 72.3138 PRESSAVG: 3162400 -37.5193 -16.8366 31.0489 -16.8366 -6.82956 -16.9989 31.0489 -16.9988 -19.4985 GPRESSAVG: 3162400 -37.3032 -19.1331 30.0076 -14.9232 -9.02929 -14.8349 28.6271 -17.6918 -17.7749 TIMING: 3162400 CPU: 9987.58, 0.00316522/step Wall: 9987.58, 0.00316522/step, 1.61567 hours remaining, 235.085938 MB of memory in use. ENERGY: 3162400 3980.6152 20560.5470 14473.2387 242.3295 -203297.2237 2303.6171 0.0000 0.0000 52223.8481 -109513.0280 300.1312 -161736.8761 -109146.8813 299.0468 -295.6144 -273.5376 762190.1383 -21.2825 -21.3691 PRESSURE: 3162600 -486.669 119.099 145.727 119.099 -284.679 -46.0195 145.728 -46.0202 145.718 GPRESSURE: 3162600 -410.301 200.186 164.55 172.659 -285.628 -70.4533 218.747 -120.009 156.714 PRESSAVG: 3162600 22.5242 -98.9015 25.418 -98.9014 -64.878 19.8585 25.418 19.8585 -19.2071 GPRESSAVG: 3162600 21.845 -97.6526 27.4579 -99.2854 -62.8946 20.4466 28.803 19.6726 -19.9469 TIMING: 3162600 CPU: 9988.21, 0.00316921/step Wall: 9988.21, 0.00316921/step, 1.61753 hours remaining, 235.085938 MB of memory in use. ENERGY: 3162600 3990.6291 20484.2802 14433.3345 252.4796 -203418.2328 2543.2053 0.0000 0.0000 51885.3137 -109828.9902 298.1856 -161714.3040 -109461.8824 298.9642 -208.5436 -179.7384 759141.0071 -20.5203 -20.3322 PRESSURE: 3162800 219.177 -192.602 113.916 -192.603 -40.6683 38.0068 113.916 38.0062 216.069 GPRESSURE: 3162800 237.62 -218.322 42.799 -90.2149 -5.41108 -22.4522 206.538 -125.075 239.065 PRESSAVG: 3162800 38.9941 -39.3664 -40.8016 -39.3664 5.09998 -8.14893 -40.8016 -8.14886 17.042 GPRESSAVG: 3162800 38.9777 -37.8443 -42.2193 -39.4617 4.92628 -11.9409 -44.2895 -6.16044 16.9331 TIMING: 3162800 CPU: 9988.85, 0.00316397/step Wall: 9988.85, 0.00316397/step, 1.61468 hours remaining, 235.085938 MB of memory in use. ENERGY: 3162800 3901.1770 20508.9996 14422.5495 257.8922 -203476.9801 2596.7765 0.0000 0.0000 51803.9569 -109985.6284 297.7181 -161789.5854 -109621.9560 298.5860 131.5258 157.0914 759569.1973 20.3787 20.2790 PRESSURE: 3163000 -25.7081 -286.722 18.3406 -286.722 66.702 82.1542 18.3408 82.1538 320.158 GPRESSURE: 3163000 39.2427 -262.015 29.4817 -306.778 113.077 106.961 20.4602 93.9583 283.681 PRESSAVG: 3163000 -28.7044 -15.0045 -1.74139 -15.0045 38.7248 -7.93327 -1.74139 -7.9332 34.0838 GPRESSAVG: 3163000 -27.5459 -16.71 -2.37945 -14.577 37.9313 -5.5394 2.46452 -9.60972 33.8607 TIMING: 3163000 CPU: 9989.48, 0.00315825/step Wall: 9989.48, 0.00315825/step, 1.61159 hours remaining, 235.085938 MB of memory in use. ENERGY: 3163000 3969.1043 20508.3737 14403.3735 238.8871 -204145.2776 3204.5881 0.0000 0.0000 51757.7644 -110063.1864 297.4526 -161820.9509 -109696.3597 298.1334 120.3839 145.3335 760721.1118 14.7014 14.7487 PRESSURE: 3163200 -134.235 112.242 155.05 112.243 -348.229 -252.656 155.05 -252.656 -304.953 GPRESSURE: 3163200 -85.3671 26.0176 55.0946 128.235 -366.402 -259.888 122.256 -145.169 -240.495 PRESSAVG: 3163200 -3.16313 4.87652 103.941 4.87646 2.4203 3.6502 103.941 3.65031 -4.47802 GPRESSAVG: 3163200 -3.79518 5.72894 105.929 4.45705 2.88129 3.00011 102.009 4.33189 -4.6996 TIMING: 3163200 CPU: 9990.12, 0.00318977/step Wall: 9990.12, 0.00318977/step, 1.62749 hours remaining, 235.085938 MB of memory in use. ENERGY: 3163200 3987.0956 20496.1831 14394.3969 253.8934 -203072.1428 2329.2333 0.0000 0.0000 51704.9948 -109906.3455 297.1493 -161611.3403 -109562.5277 297.8050 -262.4721 -230.7548 762567.2362 -1.7403 -1.8712 PRESSURE: 3163400 199.415 -86.2094 -162.288 -86.2096 240.522 -4.18475 -162.288 -4.18507 9.21528 GPRESSURE: 3163400 225.015 -14.4031 -2.43301 -50.9778 240.504 10.0571 -195.105 -87.9039 68.7727 PRESSAVG: 3163400 43.7578 -43.7179 4.96453 -43.7179 -21.7419 -16.9879 4.96456 -16.9878 -10.6921 GPRESSAVG: 3163400 44.1937 -42.948 4.04856 -45.7736 -22.3403 -16.6843 6.1104 -17.1124 -10.392 TIMING: 3163400 CPU: 9990.75, 0.00317332/step Wall: 9990.75, 0.00317332/step, 1.61892 hours remaining, 235.085938 MB of memory in use. ENERGY: 3163400 4069.2205 20521.5001 14442.7906 251.7650 -203562.1557 2872.5531 0.0000 0.0000 51418.1254 -109986.2010 295.5007 -161404.3263 -109621.3360 298.1486 149.7177 178.0970 763683.2282 3.7746 3.8205 PRESSURE: 3163600 21.6685 42.1773 -200.443 42.1769 225.216 89.4808 -200.442 89.4811 298.571 GPRESSURE: 3163600 67.7276 28.7824 -164.531 164.647 299.24 -1.27018 -219.85 105.119 271.5 PRESSAVG: 3163600 -38.8452 -26.2256 -51.0755 -26.2255 30.6721 -45.9424 -51.0756 -45.9424 -10.1744 GPRESSAVG: 3163600 -38.1546 -27.3241 -51.5871 -24.7544 30.0475 -45.464 -52.4416 -47.46 -10.1734 TIMING: 3163600 CPU: 9991.39, 0.00316765/step Wall: 9991.39, 0.00316765/step, 1.61585 hours remaining, 235.085938 MB of memory in use. ENERGY: 3163600 3953.5231 20613.2231 14397.8179 247.7514 -203687.8524 2869.3948 0.0000 0.0000 51808.7233 -109797.4187 297.7454 -161606.1420 -109442.5004 297.6892 181.8184 212.8226 763140.1085 -6.1158 -6.0935 PRESSURE: 3163800 -349.172 120.669 -67.1705 120.669 -230.561 -17.8328 -67.1695 -17.8326 -191.479 GPRESSURE: 3163800 -267.7 142.482 18.5211 43.701 -171.778 12.5245 -100.772 -73.2103 -272.906 PRESSAVG: 3163800 -24.961 -1.26355 -44.4633 -1.26362 -19.2925 -6.47681 -44.4633 -6.47678 -13.6229 GPRESSAVG: 3163800 -25.2985 -0.893281 -43.8512 -2.1461 -18.2422 -5.83146 -44.8698 -6.34591 -13.9864 TIMING: 3163800 CPU: 9992.02, 0.00315543/step Wall: 9992.02, 0.00315543/step, 1.60944 hours remaining, 235.085938 MB of memory in use. ENERGY: 3163800 3973.3050 20644.5511 14398.9936 252.1064 -203205.7241 2431.4590 0.0000 0.0000 51868.1154 -109637.1935 298.0868 -161505.3089 -109275.5433 298.3138 -257.0705 -237.4614 762102.3585 -19.2921 -19.1757 PRESSURE: 3164000 -74.1913 232.813 -7.72736 232.813 -226.071 96.1551 -7.7272 96.1562 36.3312 GPRESSURE: 3164000 -39.5521 181.713 -27.4758 168.735 -229.944 196.79 -138.537 -10.2958 83.8588 PRESSAVG: 3164000 -21.8142 3.34376 -3.37754 3.34379 -1.94725 19.107 -3.37749 19.1069 16.9483 GPRESSAVG: 3164000 -22.0085 2.7767 -4.28349 3.52486 -1.27357 18.3716 -1.35169 21.4435 16.8847 TIMING: 3164000 CPU: 9992.65, 0.00316105/step Wall: 9992.65, 0.00316105/step, 1.61214 hours remaining, 235.085938 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: 3164000 3977.0830 20614.3710 14354.5194 235.0431 -203553.4558 2770.4617 0.0000 0.0000 52097.3188 -109504.6589 299.4040 -161601.9777 -109147.5873 298.7659 -87.9770 -61.8792 762656.0145 -2.2710 -2.1325 PRESSURE: 3164200 -212.175 -234.784 110.779 -234.784 366.701 180.783 110.779 180.784 123.692 GPRESSURE: 3164200 -67.9243 -280.055 51.1814 -200.451 316.106 274.187 178.559 90.877 113.583 PRESSAVG: 3164200 0.18261 -60.1341 52.4272 -60.1341 -11.113 10.4229 52.4272 10.4229 -3.23545 GPRESSAVG: 3164200 0.457041 -60.0911 51.9453 -58.908 -12.0664 11.7096 52.3256 9.25122 -2.90535 TIMING: 3164200 CPU: 9993.28, 0.00317632/step Wall: 9993.28, 0.00317632/step, 1.61975 hours remaining, 235.085938 MB of memory in use. ENERGY: 3164200 3978.0180 20617.9303 14378.8373 232.5218 -203455.3904 2763.2852 0.0000 0.0000 51833.3227 -109651.4752 297.8868 -161484.7979 -109290.8488 298.8312 92.7391 120.5882 762411.8623 -4.7220 -4.8382 LDB: ============= START OF LOAD BALANCING ============== 10005.8 LDB: ============== END OF LOAD BALANCING =============== 10005.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10005.8 LDB: ============= START OF LOAD BALANCING ============== 10006.1 LDB: Largest compute 7076 load 0.035240 is 18.0% of average load 0.195683 LDB: Average compute 0.004388 is 2.2% of average load 0.195683 LDB: TIME 10006.1 LOAD: AVG 0.195683 MAX 0.216129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 10006.1 LOAD: AVG 0.195683 MAX 0.216129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: TIME 10006.1 LOAD: AVG 0.195683 MAX 0.216129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: ============== END OF LOAD BALANCING =============== 10006.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10006.1 PRESSURE: 3164400 30.4654 -7.33144 -9.72108 -7.33112 -228.08 226.242 -9.72034 226.242 131.657 GPRESSURE: 3164400 66.6251 -124.39 13.1162 23.8638 -199.804 249.525 -36.73 98.1456 159.298 PRESSAVG: 3164400 -70.2429 -30.5155 33.5311 -30.5155 56.2882 29.6947 33.5311 29.6949 -6.86827 GPRESSAVG: 3164400 -70.0463 -31.5404 34.1492 -32.4733 54.8237 29.3386 32.5028 30.7959 -5.71791 TIMING: 3164400 CPU: 9993.93, 0.00322145/step Wall: 9993.93, 0.00322145/step, 1.64258 hours remaining, 235.316406 MB of memory in use. ENERGY: 3164400 4010.9650 20588.6035 14397.2909 224.8835 -203292.4796 2527.7649 0.0000 0.0000 52212.5555 -109330.4163 300.0663 -161542.9718 -108980.2051 299.1882 -21.9860 8.7062 761520.0266 -6.9410 -6.9802 PRESSURE: 3164600 -307.363 8.46767 -58.0984 8.46721 -210.028 214.733 -58.0973 214.734 232.402 GPRESSURE: 3164600 -232.769 78.4066 -41.5362 121.154 -152.621 187.471 28.5065 222.13 176.429 PRESSAVG: 3164600 7.94243 3.69699 23.8305 3.69698 14.3688 20.1594 23.8304 20.1594 1.71804 GPRESSAVG: 3164600 6.63922 7.25233 24.7852 2.94473 16.2884 19.4225 23.162 18.2413 0.617868 TIMING: 3164600 CPU: 9994.56, 0.00315491/step Wall: 9994.56, 0.00315491/step, 1.60848 hours remaining, 235.519531 MB of memory in use. ENERGY: 3164600 3974.0908 20565.2681 14344.6698 247.5905 -203055.5387 2563.6038 0.0000 0.0000 51947.6459 -109412.6698 298.5438 -161360.3157 -109043.1344 299.9345 -94.9966 -69.6536 763166.1695 8.0098 7.8485 PRESSURE: 3164800 217.917 -0.331781 -46.6157 -0.332006 227.173 -7.07795 -46.6146 -7.07797 20.4809 GPRESSURE: 3164800 300.662 -60.5625 -49.4433 36.3584 208.095 75.408 -41.7999 -22.3232 63.4778 PRESSAVG: 3164800 1.81372 -61.4509 -33.0186 -61.4509 6.72651 29.4871 -33.0187 29.487 13.0129 GPRESSAVG: 3164800 1.37337 -63.4958 -32.4484 -60.278 6.78375 30.4242 -32.3324 30.0477 13.6789 TIMING: 3164800 CPU: 9995.19, 0.00317524/step Wall: 9995.19, 0.00317524/step, 1.61867 hours remaining, 235.722656 MB of memory in use. ENERGY: 3164800 3957.8784 20457.3910 14475.0500 239.9065 -203579.9523 2917.8610 0.0000 0.0000 52133.5139 -109398.3515 299.6120 -161531.8654 -109033.3157 299.2179 155.1904 190.7449 760981.1586 7.1844 7.2787 PRESSURE: 3165000 138.541 -226.092 129.593 -226.092 25.1051 35.7701 129.594 35.7706 -227.339 GPRESSURE: 3165000 129.376 -213.986 148.016 -151.086 89.8111 37.89 35.2333 120.214 -197.213 PRESSAVG: 3165000 -58.4824 -52.0424 -33.6996 -52.0424 26.6605 67.956 -33.6996 67.956 -12.1176 GPRESSAVG: 3165000 -56.8975 -52.0061 -32.792 -52.2525 25.6948 64.7708 -33.7647 69.333 -12.5064 TIMING: 3165000 CPU: 9995.83, 0.00316041/step Wall: 9995.83, 0.00316041/step, 1.61093 hours remaining, 235.722656 MB of memory in use. ENERGY: 3165000 3978.5230 20508.7057 14453.2987 239.5367 -202926.1079 2350.3200 0.0000 0.0000 51970.9130 -109424.8109 298.6776 -161395.7239 -109060.7743 299.4673 -21.2310 7.3247 761481.3814 -14.6465 -14.5697 PRESSURE: 3165200 381.812 -215.23 -54.9595 -215.228 71.8149 -203.478 -54.9601 -203.48 324.974 GPRESSURE: 3165200 433.763 -201.054 -89.5665 -221.095 134.917 -211.395 -125.046 -62.5572 295.955 PRESSAVG: 3165200 -47.1471 -44.7537 34.0967 -44.7537 41.2129 17.176 34.0966 17.1759 -17.7209 GPRESSAVG: 3165200 -46.9241 -44.3685 32.7047 -45.5483 41.0405 18.603 32.5394 16.8515 -17.7671 TIMING: 3165200 CPU: 9996.46, 0.00317522/step Wall: 9996.46, 0.00317522/step, 1.6183 hours remaining, 235.722656 MB of memory in use. ENERGY: 3165200 3946.5275 20490.9059 14504.6441 250.1510 -203448.1131 2887.9991 0.0000 0.0000 52058.7726 -109309.1129 299.1825 -161367.8855 -108946.3604 299.8093 259.5335 288.2115 762036.5125 -7.8850 -7.8836 PRESSURE: 3165400 -194.397 38.909 49.4754 38.9084 -324.383 185.346 49.4755 185.347 -123.314 GPRESSURE: 3165400 -116.94 77.1349 181.878 -45.7067 -350.133 173.319 -33.0517 84.2639 -113.318 PRESSAVG: 3165400 -22.0821 -18.2943 27.4521 -18.2943 22.0898 39.983 27.452 39.983 14.7915 GPRESSAVG: 3165400 -21.3195 -19.6842 27.3646 -18.5474 22.9848 40.1428 30.3729 37.5045 12.9394 TIMING: 3165400 CPU: 9997.09, 0.00316593/step Wall: 9997.09, 0.00316593/step, 1.61339 hours remaining, 235.722656 MB of memory in use. ENERGY: 3165400 3985.3050 20707.1992 14376.6300 234.5795 -203491.6714 2714.0280 0.0000 0.0000 51870.4685 -109603.4612 298.1003 -161473.9296 -109243.9647 298.9422 -214.0316 -193.4639 762018.2654 4.9331 4.8682 PRESSURE: 3165600 -155.177 -41.993 138.173 -41.9929 -364.546 -72.5067 138.173 -72.5074 -119.593 GPRESSURE: 3165600 -201.809 25.4243 123.288 -64.4266 -248.687 -57.0376 113.071 48.8287 -115.679 PRESSAVG: 3165600 37.7155 -36.7696 -40.7922 -36.7696 -20.3722 30.675 -40.7922 30.675 4.27385 GPRESSAVG: 3165600 35.5265 -36.0216 -39.2872 -35.4612 -20.8445 31.9285 -43.331 32.1024 7.14483 TIMING: 3165600 CPU: 9997.73, 0.0032009/step Wall: 9997.73, 0.0032009/step, 1.63104 hours remaining, 235.722656 MB of memory in use. ENERGY: 3165600 3918.7404 20530.8183 14431.6054 263.5451 -203465.7671 2763.0110 0.0000 0.0000 51828.2301 -109729.8167 297.8576 -161558.0468 -109364.9251 298.4434 -213.1054 -188.7253 764212.6372 7.2057 7.2756 PRESSURE: 3165800 42.5835 -5.37893 -96.3899 -5.3792 219.044 -53.4604 -96.3903 -53.4603 2.52678 GPRESSURE: 3165800 101.72 -15.8753 -129.001 -48.3393 271.11 -20.6201 -131.48 18.6066 1.88818 PRESSAVG: 3165800 21.1972 -3.41122 -17.0905 -3.41133 -2.65157 37.4825 -17.0905 37.4825 -11.2524 GPRESSAVG: 3165800 21.0165 -2.42204 -18.2301 -2.8461 -2.78147 36.8878 -17.9943 38.4278 -10.5957 TIMING: 3165800 CPU: 9998.38, 0.00320093/step Wall: 9998.38, 0.00320093/step, 1.63087 hours remaining, 235.722656 MB of memory in use. ENERGY: 3165800 4015.4848 20488.4204 14421.5155 253.7114 -203544.1544 2837.4135 0.0000 0.0000 52097.3593 -109430.2495 299.4042 -161527.6089 -109073.8680 298.9077 88.0515 124.9058 760860.8610 2.4311 2.5464 PRESSURE: 3166000 147.472 99.19 248.028 99.1902 99.5982 223.939 248.028 223.939 -68.8136 GPRESSURE: 3166000 107.365 73.5517 260.862 118.042 156.337 228.157 134.155 152.607 -28.5014 PRESSAVG: 3166000 26.0895 -17.0743 40.3253 -17.0742 -11.0509 20.3792 40.3254 20.3792 -10.6722 GPRESSAVG: 3166000 26.8766 -18.164 40.779 -16.5546 -10.7481 19.9474 40.6539 20.0762 -11.3991 TIMING: 3166000 CPU: 9999.01, 0.00319928/step Wall: 9999.01, 0.00319928/step, 1.62985 hours remaining, 235.722656 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: 3166000 4017.6085 20604.7532 14422.0145 222.9253 -203536.9580 2697.2447 0.0000 0.0000 52154.4241 -109417.9876 299.7322 -161572.4117 -109056.8864 299.2063 59.4190 78.4002 762149.1234 1.4554 1.5765 PRESSURE: 3166200 -89.8525 -70.2492 6.72671 -70.2489 -121.646 233.328 6.726 233.329 -33.6192 GPRESSURE: 3166200 5.42223 -157.54 -57.6995 -18.7205 -73.5758 180.905 75.8989 61.7483 -102.725 PRESSAVG: 3166200 -5.38911 28.3784 -2.26643 28.3784 -6.97745 28.1409 -2.26642 28.1409 10.3189 GPRESSAVG: 3166200 -4.3583 27.7417 -2.93087 27.3543 -7.73813 27.3244 0.665362 27.4999 9.98546 TIMING: 3166200 CPU: 9999.66, 0.00320441/step Wall: 9999.66, 0.00320441/step, 1.63229 hours remaining, 235.722656 MB of memory in use. ENERGY: 3166200 4029.4277 20447.8261 14376.5085 248.3206 -203193.2802 2746.0597 0.0000 0.0000 52062.1777 -109282.9598 299.2021 -161345.1375 -108929.1163 298.9804 -81.7058 -56.9595 762144.5945 -0.6825 -0.7037 PRESSURE: 3166400 -16.6398 -128.115 -129.141 -128.115 256.587 -183.894 -129.141 -183.895 -91.5015 GPRESSURE: 3166400 54.3833 -118.522 -175.859 -57.3897 225.695 -128.562 -105.15 -224.389 -21.7153 PRESSAVG: 3166400 4.57327 6.43296 -6.59907 6.43288 -36.6225 -8.61282 -6.59903 -8.61285 25.6152 GPRESSAVG: 3166400 4.51697 5.59808 -5.41196 7.93604 -35.3796 -8.87565 -8.82525 -7.4982 24.5736 TIMING: 3166400 CPU: 10000.3, 0.00318703/step Wall: 10000.3, 0.00318703/step, 1.62326 hours remaining, 235.722656 MB of memory in use. ENERGY: 3166400 4043.7027 20633.9758 14296.6425 222.8172 -203111.0201 2695.6394 0.0000 0.0000 51902.6006 -109315.6419 298.2850 -161218.2425 -108957.4179 299.2304 49.4818 86.1210 761898.6943 -2.1447 -2.0963 PRESSURE: 3166600 -169.63 -13.4641 -25.8273 -13.4643 -73.5161 -236.589 -25.8267 -236.59 -324.557 GPRESSURE: 3166600 -108.796 22.5255 -39.1897 -186.202 -52.0432 -139.706 62.4115 -241.009 -316.366 PRESSAVG: 3166600 28.1554 1.16474 -75.684 1.16471 -25.876 -24.8367 -75.684 -24.8368 8.50711 GPRESSAVG: 3166600 26.5463 1.54967 -75.3137 -0.733599 -25.926 -23.9749 -76.4044 -23.9007 10.0864 TIMING: 3166600 CPU: 10000.9, 0.00318236/step Wall: 10000.9, 0.00318236/step, 1.62071 hours remaining, 235.722656 MB of memory in use. ENERGY: 3166600 4010.4236 20491.6583 14375.3178 246.8360 -203395.4790 2549.9792 0.0000 0.0000 52303.1218 -109418.1423 300.5868 -161721.2641 -109049.1551 299.2790 -189.2343 -159.0684 761874.3570 3.5955 3.5689 PRESSURE: 3166800 -78.3465 -211.252 23.5553 -211.252 311.03 -94.7267 23.5549 -94.7258 195.274 GPRESSURE: 3166800 -33.0169 -56.3288 25.3718 -155.528 266.755 -105.545 -63.5444 -210.38 262.796 PRESSAVG: 3166800 33.779 -40.5661 7.28021 -40.5661 -22.6341 13.7409 7.28021 13.7409 -11.312 GPRESSAVG: 3166800 34.6596 -39.6371 6.19642 -40.7565 -23.619 13.2142 9.91888 11.9978 -11.302 TIMING: 3166800 CPU: 10001.6, 0.00316287/step Wall: 10001.6, 0.00316287/step, 1.6106 hours remaining, 235.722656 MB of memory in use. ENERGY: 3166800 4061.7100 20575.8021 14426.1257 232.7423 -203678.4441 3005.6530 0.0000 0.0000 51860.6346 -109515.7765 298.0438 -161376.4111 -109157.3433 299.0610 142.6524 165.5115 761056.0526 -0.0557 -0.0872 PRESSURE: 3167000 94.4826 107.78 176.295 107.78 -327.658 314.822 176.295 314.823 9.00702 GPRESSURE: 3167000 141.19 -9.74397 149.769 -5.83226 -354.74 250.581 116.55 314.334 74.123 PRESSAVG: 3167000 -8.0549 -54.3688 18.9063 -54.3688 12.9401 -6.54585 18.9064 -6.54575 3.87386 GPRESSAVG: 3167000 -7.45778 -57.0283 19.7882 -50.2111 12.6257 -6.03391 15.6958 -5.62307 3.53462 TIMING: 3167000 CPU: 10002.2, 0.003149/step Wall: 10002.2, 0.003149/step, 1.60337 hours remaining, 235.722656 MB of memory in use. ENERGY: 3167000 3968.8340 20496.4829 14484.3879 258.3215 -203481.2238 2699.7550 0.0000 0.0000 52217.1281 -109356.3144 300.0926 -161573.4425 -108979.8672 298.6500 -74.7227 -46.4755 763028.1688 2.9197 2.9008 PRESSURE: 3167200 -288.232 -56.5401 -182.856 -56.5395 -277.439 190.705 -182.857 190.705 -385.153 GPRESSURE: 3167200 -299.138 -131.074 -140.045 19.5229 -178.035 136.165 -120.342 227.979 -393.51 PRESSAVG: 3167200 3.35375 -31.5852 -30.9448 -31.5852 16.1969 -72.918 -30.9449 -72.9179 12.3082 GPRESSAVG: 3167200 2.41389 -29.7493 -31.9858 -36.4559 16.2838 -72.2493 -31.0371 -72.548 13.3144 TIMING: 3167200 CPU: 10002.8, 0.00317304/step Wall: 10002.8, 0.00317304/step, 1.61543 hours remaining, 235.722656 MB of memory in use. ENERGY: 3167200 4026.1235 20543.4256 14405.4770 233.2725 -202908.5625 2456.7070 0.0000 0.0000 51878.8810 -109364.6759 298.1486 -161243.5569 -109004.3672 298.8094 -316.9412 -290.2275 763541.3914 10.6196 10.6707 PRESSURE: 3167400 11.4439 15.9725 15.2134 15.9722 73.9737 295.594 15.2137 295.595 131.931 GPRESSURE: 3167400 92.5834 -50.128 -39.0004 75.4672 26.2289 248.896 15.9702 207.673 170.339 PRESSAVG: 3167400 50.8998 -8.64115 -33.3544 -8.6411 -20.3029 -15.4261 -33.3543 -15.4261 0.732445 GPRESSAVG: 3167400 51.3651 -8.77041 -32.449 -6.31445 -19.7469 -16.5107 -33.6164 -17.3236 -0.907631 TIMING: 3167400 CPU: 10003.5, 0.00318171/step Wall: 10003.5, 0.0031817/step, 1.61966 hours remaining, 235.722656 MB of memory in use. ENERGY: 3167400 3981.7085 20565.9365 14385.9472 241.4958 -202894.2193 2443.1799 0.0000 0.0000 52025.9194 -109250.0321 298.9937 -161275.9515 -108896.9591 299.1869 72.4496 96.3838 763280.7936 10.4431 10.2369 PRESSURE: 3167600 -74.7065 -31.7563 -61.9163 -31.7568 -19.7314 -74.4235 -61.9163 -74.4228 -200.812 GPRESSURE: 3167600 -46.7237 -5.63207 0.658132 -78.033 -38.3738 33.741 -110.711 -145.823 -132.859 PRESSAVG: 3167600 21.4373 6.67889 12.5464 6.67887 -45.3145 -10.449 12.5463 -10.4489 42.332 GPRESSAVG: 3167600 21.0325 5.4648 11.6462 7.48696 -46.3259 -10.9157 13.0422 -8.70891 43.4182 TIMING: 3167600 CPU: 10004.1, 0.00317628/step Wall: 10004.1, 0.00317628/step, 1.61673 hours remaining, 235.722656 MB of memory in use. ENERGY: 3167600 3985.2364 20635.7310 14345.0054 232.2946 -203034.0278 2730.4328 0.0000 0.0000 52047.4094 -109057.9182 299.1172 -161105.3275 -108697.8434 299.0846 -98.4166 -72.6523 763376.3644 6.1516 6.0416 PRESSURE: 3167800 221.835 115.799 166.167 115.798 -400.197 13.0231 166.167 13.0238 -10.8781 GPRESSURE: 3167800 147.087 86.9134 238.875 155.386 -234.546 82.8997 136.346 -53.9315 -3.31948 PRESSAVG: 3167800 64.6915 -10.6159 -0.727503 -10.6159 -73.086 -22.8054 -0.727537 -22.8054 7.47113 GPRESSAVG: 3167800 63.8886 -9.55016 -1.13738 -11.9539 -71.685 -22.2783 0.257831 -23.9459 6.46338 TIMING: 3167800 CPU: 10004.7, 0.00319739/step Wall: 10004.7, 0.00319739/step, 1.62729 hours remaining, 235.722656 MB of memory in use. ENERGY: 3167800 3997.1449 20625.9426 14459.2833 240.7328 -203101.8652 2727.0421 0.0000 0.0000 52031.0925 -109020.6270 299.0234 -161051.7196 -108665.4023 299.6527 -63.0800 -30.2594 762206.5507 -0.3078 -0.4444 PRESSURE: 3168000 -82.0479 -180.678 42.9784 -180.678 -85.8385 -301.963 42.9784 -301.964 -244.56 GPRESSURE: 3168000 -98.791 -145.637 23.5653 -158.648 -60.2336 -236.999 -27.1168 -271.356 -150.438 PRESSAVG: 3168000 -39.4932 80.4067 -36.5169 80.4068 -5.73829 -62.5566 -36.517 -62.5566 -4.24505 GPRESSAVG: 3168000 -39.3354 79.0263 -37.9892 81.5023 -6.60928 -63.0827 -35.3174 -61.1351 -3.44578 TIMING: 3168000 CPU: 10005.4, 0.00315665/step Wall: 10005.4, 0.00315665/step, 1.60638 hours remaining, 235.722656 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: 3168000 4019.0078 20246.7219 14386.3221 233.6570 -202696.3636 2538.0519 0.0000 0.0000 52160.9273 -109111.6756 299.7696 -161272.6029 -108748.0701 299.8041 -137.4822 -103.1544 764591.5123 -16.4922 -16.4635 PRESSURE: 3168200 -6.44117 252.238 40.3022 252.238 -19.8026 -72.392 40.3024 -72.3913 220.146 GPRESSURE: 3168200 64.5938 356.713 4.03949 125.128 4.7008 -199.567 151.614 46.9521 208.143 PRESSAVG: 3168200 36.8316 6.99409 36.3128 6.99416 20.2555 -42.2169 36.3128 -42.2169 24.5398 GPRESSAVG: 3168200 36.4959 9.02875 37.4818 5.2388 20.6264 -42.4705 36.9281 -42.9474 24.5976 TIMING: 3168200 CPU: 10006, 0.00314816/step Wall: 10006, 0.00314816/step, 1.60189 hours remaining, 235.722656 MB of memory in use. ENERGY: 3168200 3965.3854 20492.7864 14436.2750 237.3418 -203012.5672 2691.6830 0.0000 0.0000 52068.0982 -109120.9974 299.2361 -161189.0956 -108773.3294 299.6388 64.6342 92.4792 762381.2534 27.2090 27.2400 LDB: ============= START OF LOAD BALANCING ============== 10018.5 LDB: ============== END OF LOAD BALANCING =============== 10018.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10018.5 LDB: ============= START OF LOAD BALANCING ============== 10018.9 LDB: Largest compute 7075 load 0.035692 is 18.2% of average load 0.195641 LDB: Average compute 0.004362 is 2.2% of average load 0.195641 LDB: TIME 10018.9 LOAD: AVG 0.195641 MAX 0.219313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.656 MB LDB: TIME 10018.9 LOAD: AVG 0.195641 MAX 0.219313 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 10018.9 LOAD: AVG 0.195641 MAX 0.216727 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 10018.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10018.9 PRESSURE: 3168400 -304.808 140.238 191.136 140.238 -371.131 -16.4225 191.137 -16.4224 -403.578 GPRESSURE: 3168400 -265.326 149.626 219.833 156.986 -385.062 27.7517 108.522 -107.615 -362.34 PRESSAVG: 3168400 -40.7877 6.71115 -18.6004 6.71116 8.43854 -64.9896 -18.6005 -64.9895 5.44522 GPRESSAVG: 3168400 -39.4698 4.54267 -18.5686 7.37555 7.68891 -64.7828 -21.0317 -65.9319 5.22798 TIMING: 3168400 CPU: 10006.6, 0.00324439/step Wall: 10006.6, 0.00324439/step, 1.65067 hours remaining, 236.546875 MB of memory in use. ENERGY: 3168400 4075.1042 20700.9533 14451.9323 232.0026 -202733.7214 2212.1244 0.0000 0.0000 51737.0898 -109324.5147 297.3338 -161061.6046 -108976.2551 299.0587 -359.8390 -337.5759 761926.1775 -8.9680 -8.8510 PRESSURE: 3168600 398.61 284.761 72.3084 284.76 167.021 13.4933 72.3081 13.4927 272.094 GPRESSURE: 3168600 325.789 230.283 61.6793 276.448 251.232 28.9138 134.946 19.7186 325.186 PRESSAVG: 3168600 20.7984 -5.77843 22.7907 -5.77841 -42.5655 -12.7698 22.7906 -12.7699 5.49225 GPRESSAVG: 3168600 19.3399 -5.67125 21.1862 -5.76037 -41.4508 -13.8596 23.9662 -11.7101 5.36582 TIMING: 3168600 CPU: 10007.3, 0.00316993/step Wall: 10007.3, 0.00316993/step, 1.61261 hours remaining, 236.613281 MB of memory in use. ENERGY: 3168600 3990.9638 20612.0063 14449.3368 235.6024 -203517.1959 2777.2735 0.0000 0.0000 52089.0081 -109363.0050 299.3562 -161452.0130 -109001.5831 299.1296 279.2416 300.7357 759218.1548 -5.4250 -5.5817 PRESSURE: 3168800 372.887 -2.95221 -55.4944 -2.95266 238.917 143.741 -55.4938 143.742 71.4299 GPRESSURE: 3168800 366.173 -64.068 -7.465 23.0402 267.6 166.198 -48.0389 71.4363 145.942 PRESSAVG: 3168800 -2.02132 -23.1827 32.8132 -23.1828 32.2573 -51.4773 32.8131 -51.4771 31.0146 GPRESSAVG: 3168800 -2.52324 -21.2931 34.1927 -22.0095 32.5777 -49.5358 32.0141 -52.4536 31.1171 TIMING: 3168800 CPU: 10007.9, 0.00316659/step Wall: 10007.9, 0.00316659/step, 1.61074 hours remaining, 236.613281 MB of memory in use. ENERGY: 3168800 3978.8053 20555.6996 14336.7879 232.9092 -203326.8958 2815.2461 0.0000 0.0000 51912.7053 -109494.7424 298.3430 -161407.4477 -109132.3422 298.7584 227.7448 259.9049 762456.1161 20.4169 20.3905 PRESSURE: 3169000 -35.4929 37.9154 -43.6463 37.9148 88.394 61.2718 -43.646 61.2722 259.499 GPRESSURE: 3169000 57.377 0.483427 -134.821 8.32438 186.367 -13.7512 -120.71 -79.0106 181.762 PRESSAVG: 3169000 0.330555 -27.4617 15.028 -27.4618 -14.5192 -25.1894 15.028 -25.1895 -11.4591 GPRESSAVG: 3169000 0.592579 -27.9003 15.646 -30.4897 -14.9169 -25.5042 15.7919 -23.7987 -10.6542 TIMING: 3169000 CPU: 10008.5, 0.00316566/step Wall: 10008.5, 0.00316566/step, 1.61009 hours remaining, 236.613281 MB of memory in use. ENERGY: 3169000 3995.5322 20602.8078 14360.8194 236.3118 -203587.3568 2878.7156 0.0000 0.0000 51905.4016 -109607.7684 298.3011 -161513.1700 -109249.0933 298.9437 104.1335 141.8352 761059.8657 -8.5492 -8.3262 PRESSURE: 3169200 -101.883 122.646 -117.842 122.647 -153.373 62.3005 -117.842 62.3005 -425.681 GPRESSURE: 3169200 -91.995 203.244 -202.242 173.144 -114.827 -9.31692 84.872 61.3501 -401.844 PRESSAVG: 3169200 -37.4449 -22.9733 56.1569 -22.9733 12.221 -27.6598 56.1569 -27.6598 -13.5247 GPRESSAVG: 3169200 -36.8975 -23.6893 55.539 -20.8907 11.3785 -27.6017 55.0342 -29.1247 -13.5725 TIMING: 3169200 CPU: 10009.2, 0.00317299/step Wall: 10009.2, 0.00317299/step, 1.61364 hours remaining, 236.613281 MB of memory in use. ENERGY: 3169200 3959.1780 20500.7622 14340.9739 249.9823 -203303.4049 2431.0961 0.0000 0.0000 51967.4006 -109854.0119 298.6574 -161821.4125 -109482.6202 298.3829 -226.9791 -202.8887 763163.4076 -12.9162 -13.0305 PRESSURE: 3169400 -200.469 144.476 235.966 144.476 -188.2 -55.4683 235.966 -55.4684 -203.928 GPRESSURE: 3169400 -239.389 123.624 149.404 199.844 -72 -79.8318 190.427 -26.3696 -188.935 PRESSAVG: 3169400 13.4161 32.5501 53.6235 32.5501 13.6381 -1.86667 53.6235 -1.86666 0.360618 GPRESSAVG: 3169400 13.7124 32.3181 54.2603 32.7655 14.2108 -1.38488 55.8304 -0.518874 -0.489217 TIMING: 3169400 CPU: 10009.8, 0.00314844/step Wall: 10009.8, 0.00314844/step, 1.60098 hours remaining, 236.613281 MB of memory in use. ENERGY: 3169400 4035.1132 20428.8691 14299.5395 231.0256 -203597.9163 2809.3756 0.0000 0.0000 52017.7660 -109776.2272 298.9468 -161793.9932 -109415.5503 298.2612 -197.5320 -166.7748 763770.7368 9.1382 9.1447 PRESSURE: 3169600 121.965 -60.7623 382.169 -60.7625 -186.08 -292.581 382.169 -292.581 -237.529 GPRESSURE: 3169600 193.864 -94.5946 398.277 -49.9004 -211.055 -342.523 220.934 -227.032 -190.76 PRESSAVG: 3169600 -61.2835 -0.0912783 6.93735 -0.0912722 60.2155 -31.044 6.93738 -31.044 -10.6754 GPRESSAVG: 3169600 -60.9325 3.07742 6.1012 -2.2398 60.088 -32.3175 2.9351 -29.9679 -10.766 TIMING: 3169600 CPU: 10010.4, 0.00315386/step Wall: 10010.4, 0.00315386/step, 1.60356 hours remaining, 236.613281 MB of memory in use. ENERGY: 3169600 4021.1737 20536.5971 14355.9502 248.9404 -203584.0932 2692.2896 0.0000 0.0000 51960.1641 -109768.9781 298.6158 -161729.1422 -109418.1818 298.6054 -100.5482 -69.3171 762265.2595 -3.9145 -3.8702 PRESSURE: 3169800 -141.677 -92.1806 -83.1489 -92.1802 149.434 72.6291 -83.1489 72.6292 177.065 GPRESSURE: 3169800 -189.355 -87.4039 -28.6674 -15.9616 236.404 147.166 72.2951 126.831 202.118 PRESSAVG: 3169800 -21.8149 14.4153 40.7137 14.4154 11.7841 -6.08675 40.7137 -6.08674 -23.3347 GPRESSAVG: 3169800 -21.759 13.161 42.9726 15.9897 11.4558 -3.98132 43.6806 -7.6773 -23.0272 TIMING: 3169800 CPU: 10011.1, 0.00314625/step Wall: 10011.1, 0.00314625/step, 1.59952 hours remaining, 236.613281 MB of memory in use. ENERGY: 3169800 3915.9049 20763.4659 14420.9206 243.0747 -203959.3461 2950.4741 0.0000 0.0000 51942.0630 -109723.4429 298.5117 -161665.5059 -109364.3167 298.8189 61.6071 83.0556 761092.2701 -11.1218 -11.1101 PRESSURE: 3170000 32.5127 -61.5591 -94.9483 -61.5591 -65.2151 121.662 -94.9486 121.664 -214.558 GPRESSURE: 3170000 0.190546 -10.096 -170.712 46.6605 -94.535 156.816 -99.1775 92.056 -73.5803 PRESSAVG: 3170000 -39.7104 27.0224 9.13941 27.0224 1.54619 26.4209 9.13945 26.4209 2.61436 GPRESSAVG: 3170000 -41.4069 24.1559 5.72485 28.6577 2.76155 24.8156 10.8772 25.1263 3.1848 TIMING: 3170000 CPU: 10011.7, 0.00315766/step Wall: 10011.7, 0.00315766/step, 1.60514 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: 3170000 3954.1922 20556.1903 14459.0731 241.0238 -203424.7894 2592.6496 0.0000 0.0000 51979.5389 -109642.1215 298.7271 -161621.6604 -109296.5848 298.6309 -82.4201 -55.9749 760720.5255 -11.8499 -11.8202 PRESSURE: 3170200 -312.191 168.015 43.1864 168.016 270.829 -21.5596 43.1868 -21.5594 281.439 GPRESSURE: 3170200 -173.416 99.755 119.557 188.581 311.442 -46.4996 -51.9179 -4.68483 192.532 PRESSAVG: 3170200 -68.7377 -4.16475 -12.5853 -4.16475 32.0318 15.4069 -12.5852 15.4069 6.14262 GPRESSAVG: 3170200 -67.7714 -2.36616 -11.1926 -5.49995 32.2343 14.5747 -15.053 18.0306 5.47284 TIMING: 3170200 CPU: 10012.3, 0.00316406/step Wall: 10012.3, 0.00316406/step, 1.60822 hours remaining, 236.613281 MB of memory in use. ENERGY: 3170200 3971.4745 20435.1787 14460.2209 251.3892 -203803.3623 2984.7403 0.0000 0.0000 51971.9378 -109728.4210 298.6834 -161700.3588 -109364.9810 298.2489 80.0259 110.1860 762633.8210 -10.1878 -10.0214 PRESSURE: 3170400 -182.766 75.5112 -245.016 75.5115 40.8533 -137.81 -245.016 -137.811 -283.855 GPRESSURE: 3170400 -114.445 121.205 -251.945 130.412 77.414 -145.808 -118.215 -177.807 -287.777 PRESSAVG: 3170400 39.5649 -15.6687 -4.15368 -15.6687 -6.27661 5.33996 -4.15366 5.34002 -20.1609 GPRESSAVG: 3170400 39.1145 -15.3364 -4.68644 -18.0148 -6.83562 8.19477 -3.52856 4.08906 -19.432 TIMING: 3170400 CPU: 10013, 0.00314502/step Wall: 10013, 0.00314502/step, 1.59837 hours remaining, 236.613281 MB of memory in use. ENERGY: 3170400 3941.1854 20580.4517 14415.6181 247.1161 -203589.5629 2824.8945 0.0000 0.0000 51846.2975 -109733.9995 297.9614 -161580.2970 -109381.9700 298.6053 -141.9227 -108.2695 763379.8191 4.3758 4.2823 PRESSURE: 3170600 197.832 205.667 -123.109 205.667 62.3423 -33.529 -123.109 -33.5288 406.57 GPRESSURE: 3170600 221.477 157.958 -156.478 217.546 134.276 -13.6751 -184.959 -40.1523 379.442 PRESSAVG: 3170600 70.9045 38.5827 -8.692 38.5828 -51.5918 -24.9351 -8.692 -24.9351 12.5622 GPRESSAVG: 3170600 71.5762 38.5824 -8.53247 38.9513 -50.8949 -27.2062 -9.94532 -24.0978 11.6098 TIMING: 3170600 CPU: 10013.6, 0.00314989/step Wall: 10013.6, 0.00314989/step, 1.60067 hours remaining, 236.613281 MB of memory in use. ENERGY: 3170600 3963.0369 20265.8036 14460.6411 258.5975 -203547.5656 2758.1269 0.0000 0.0000 52069.0722 -109772.2874 299.2417 -161841.3596 -109408.2474 298.2682 222.2480 245.0652 762431.4500 10.6250 10.7637 PRESSURE: 3170800 -378.274 -34.8282 -55.1979 -34.8274 -362.324 -60.6817 -55.1987 -60.682 -121.992 GPRESSURE: 3170800 -394.654 154.052 -140.586 -24.9187 -251.707 -20.0212 23.8705 -9.13492 -130.203 PRESSAVG: 3170800 -31.1618 -9.10376 -43.4974 -9.10373 43.845 0.145737 -43.4975 0.145732 14.7112 GPRESSAVG: 3170800 -32.4365 -7.01279 -43.6241 -9.60442 42.8572 -2.30388 -42.045 1.26124 16.1717 TIMING: 3170800 CPU: 10014.2, 0.00316776/step Wall: 10014.2, 0.00316776/step, 1.60957 hours remaining, 236.613281 MB of memory in use. ENERGY: 3170800 4011.2397 20477.8128 14389.2889 237.4267 -203338.6632 2612.3057 0.0000 0.0000 52074.0324 -109536.5571 299.2702 -161610.5895 -109184.3267 299.0038 -287.5299 -258.8546 761409.3471 9.1315 8.8642 PRESSURE: 3171000 -160.381 327.121 139.809 327.121 122.421 131.852 139.809 131.852 259.851 GPRESSURE: 3171000 -145.407 261.208 258.022 228.74 146.008 20.9585 87.3075 118.274 313.383 PRESSAVG: 3171000 -21.8773 5.70666 -2.6948 5.70662 4.25788 36.1145 -2.69482 36.1146 -17.4201 GPRESSAVG: 3171000 -21.743 3.26301 -2.33917 5.77328 5.17206 36.2968 -3.39844 36.3439 -18.0074 TIMING: 3171000 CPU: 10014.9, 0.00315471/step Wall: 10014.9, 0.00315471/step, 1.60277 hours remaining, 236.613281 MB of memory in use. ENERGY: 3171000 3963.8518 20616.4103 14313.0191 224.2314 -203448.2408 2801.2677 0.0000 0.0000 52048.5557 -109480.9048 299.1238 -161529.4605 -109120.7271 299.3160 73.9638 104.6611 762018.1921 -11.6798 -11.5261 PRESSURE: 3171200 -387.036 -99.6396 8.43574 -99.6396 -64.4425 -59.7101 8.43571 -59.7118 -162.719 GPRESSURE: 3171200 -289.034 73.2521 -19.3402 -94.6417 -45.4359 -146.365 84.3426 -16.3681 -201.492 PRESSAVG: 3171200 4.28967 -67.0848 17.0802 -67.0848 -19.1243 36.0749 17.0802 36.075 -19.2873 GPRESSAVG: 3171200 5.25666 -67.0052 16.887 -65.0649 -20.148 36.9331 17.6028 36.0969 -19.5491 TIMING: 3171200 CPU: 10015.5, 0.00316861/step Wall: 10015.5, 0.00316861/step, 1.60966 hours remaining, 236.613281 MB of memory in use. ENERGY: 3171200 4021.7604 20500.7798 14351.3364 259.6710 -203117.0090 2444.4261 0.0000 0.0000 51934.3991 -109604.6361 298.4677 -161539.0352 -109241.0183 299.5377 -204.7326 -178.6541 762673.8739 -11.3740 -11.4801 PRESSURE: 3171400 205.657 182.469 -145.174 182.468 -255.094 74.8978 -145.175 74.8979 136.728 GPRESSURE: 3171400 215.607 201.792 -132.366 219.967 -178.617 62.9137 -198.211 124.113 133.128 PRESSAVG: 3171400 5.38067 55.4073 -49.7476 55.4073 -9.04774 0.261137 -49.7475 0.261245 -3.09419 GPRESSAVG: 3171400 6.63111 55.9258 -48.6044 55.5243 -9.42804 1.03635 -51.4938 -1.60669 -3.66493 TIMING: 3171400 CPU: 10016.1, 0.0031553/step Wall: 10016.1, 0.0031553/step, 1.60272 hours remaining, 236.613281 MB of memory in use. ENERGY: 3171400 3990.4836 20581.6041 14408.4563 239.4809 -203254.1388 2623.1827 0.0000 0.0000 51996.1511 -109414.7802 298.8226 -161410.9312 -109050.9351 298.6991 29.0967 56.7057 762781.5705 -2.2538 -2.1540 PRESSURE: 3171600 46.5909 106.759 169.966 106.759 575.129 -38.0827 169.968 -38.0827 409.383 GPRESSURE: 3171600 88.3393 73.2749 191.048 24.0805 575.364 -25.5471 164.087 24.0072 457.239 PRESSAVG: 3171600 -27.8603 -21.4048 -71.5515 -21.4048 71.5288 14.3023 -71.5515 14.3023 -0.495706 GPRESSAVG: 3171600 -30.4857 -20.4608 -72.7509 -22.8059 73.0515 14.1246 -70.5061 15.8199 0.719086 TIMING: 3171600 CPU: 10016.8, 0.00313646/step Wall: 10016.8, 0.00313646/step, 1.59298 hours remaining, 236.613281 MB of memory in use. ENERGY: 3171600 3889.6604 20655.7764 14279.8327 249.1860 -203803.6612 3007.4882 0.0000 0.0000 52087.5172 -109634.2003 299.3477 -161721.7175 -109280.8112 299.0494 343.7009 373.6475 762619.3123 14.3909 14.4283 PRESSURE: 3171800 50.1204 16.8499 163.725 16.8505 -46.0482 -14.0876 163.726 -14.0883 -231.785 GPRESSURE: 3171800 143.536 -115.759 188.999 27.4346 -71.2118 -4.49802 85.58 -68.1004 -185.986 PRESSAVG: 3171800 19.2985 -11.349 -55.3766 -11.349 -45.6919 1.90591 -55.3766 1.90591 20.0433 GPRESSAVG: 3171800 20.65 -13.6697 -55.4093 -11.1914 -45.7817 2.82994 -55.2608 0.125871 19.3633 TIMING: 3171800 CPU: 10017.4, 0.00315768/step Wall: 10017.4, 0.00315768/step, 1.60358 hours remaining, 236.613281 MB of memory in use. ENERGY: 3171800 4071.2848 20416.9988 14381.2924 270.1934 -203548.5350 2606.5990 0.0000 0.0000 52039.1371 -109763.0295 299.0696 -161802.1666 -109394.8872 298.3799 -75.9043 -37.8872 761007.1805 -2.1167 -1.9228 PRESSURE: 3172000 196.481 134.564 -74.1126 134.564 -0.0784628 -296.928 -74.1124 -296.928 174.904 GPRESSURE: 3172000 314.697 139.467 -102.027 55.1423 -18.6165 -340.633 0.579849 -232.156 161.625 PRESSAVG: 3172000 37.7514 -4.90322 16.8411 -4.90319 -32.4809 -47.1899 16.841 -47.1899 24.3101 GPRESSAVG: 3172000 39.0238 -3.91397 16.7252 -5.01341 -34.9024 -48.5911 16.3578 -47.1184 25.3468 TIMING: 3172000 CPU: 10018, 0.00318152/step Wall: 10018, 0.00318152/step, 1.6155 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: 3172000 3945.3778 20439.5458 14334.0918 261.1073 -203193.3691 2399.6308 0.0000 0.0000 52017.0755 -109796.5400 298.9428 -161813.6155 -109442.7879 298.1754 123.7690 152.5686 761642.8086 9.8602 9.8227 PRESSURE: 3172200 -32.1033 271.034 -125.125 271.035 116.794 -25.5959 -125.125 -25.5956 -252.88 GPRESSURE: 3172200 56.6809 130.081 -129.428 170.765 99.3032 -111.697 -29.8373 24.1839 -214.991 PRESSAVG: 3172200 49.3141 -33.3297 83.8597 -33.3297 -50.4074 -50.3157 83.8598 -50.3158 12.1239 GPRESSAVG: 3172200 47.3793 -32.7364 84.7493 -33.6683 -48.2886 -49.4764 84.2445 -47.2361 11.7429 TIMING: 3172200 CPU: 10018.7, 0.00317587/step Wall: 10018.7, 0.00317587/step, 1.61246 hours remaining, 236.613281 MB of memory in use. ENERGY: 3172200 4039.2655 20432.0855 14362.5527 270.9588 -202958.3330 2507.2432 0.0000 0.0000 51620.8556 -109725.3717 296.6658 -161346.2273 -109360.8352 298.6520 -56.0630 -19.6689 760782.2887 3.6769 3.6112 LDB: ============= START OF LOAD BALANCING ============== 10031.2 LDB: ============== END OF LOAD BALANCING =============== 10031.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10031.2 LDB: ============= START OF LOAD BALANCING ============== 10031.5 LDB: Largest compute 7075 load 0.033297 is 17.0% of average load 0.195661 LDB: Average compute 0.004365 is 2.2% of average load 0.195661 LDB: TIME 10031.5 LOAD: AVG 0.195661 MAX 0.215744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.258 MB LDB: TIME 10031.5 LOAD: AVG 0.195661 MAX 0.215744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: TIME 10031.5 LOAD: AVG 0.195661 MAX 0.215744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.258 MB LDB: ============== END OF LOAD BALANCING =============== 10031.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10031.5 PRESSURE: 3172400 -39.2644 -100.479 123.247 -100.479 -304.426 133.606 123.248 133.608 -196.254 GPRESSURE: 3172400 -50.6977 -71.0138 48.3146 -119.192 -208.345 48.2542 89.28 90.8876 -192.336 PRESSAVG: 3172400 -23.2965 -6.38717 19.7109 -6.3872 0.817434 16.9942 19.7109 16.9942 1.1852 GPRESSAVG: 3172400 -22.8596 -5.35949 19.598 -6.30064 -0.614626 16.0668 20.0715 15.0013 1.06022 TIMING: 3172400 CPU: 10019.3, 0.00325307/step Wall: 10019.3, 0.00325307/step, 1.65148 hours remaining, 236.027344 MB of memory in use. ENERGY: 3172400 4025.5599 20498.6304 14340.3793 270.8271 -202910.6923 2283.3140 0.0000 0.0000 52118.3879 -109373.5937 299.5251 -161491.9816 -109015.8004 298.8107 -179.9814 -150.4596 760537.8640 -7.0980 -7.4714 PRESSURE: 3172600 -54.0715 -22.103 -142.283 -22.1032 -45.1609 33.5126 -142.283 33.5124 -353.515 GPRESSURE: 3172600 -43.3157 -44.7921 -140.315 57.2115 -45.7156 54.1148 -103.964 127.518 -298.842 PRESSAVG: 3172600 -5.75975 2.11386 0.6753 2.11387 -0.350505 -44.775 0.675308 -44.775 13.7039 GPRESSAVG: 3172600 -6.91819 1.87594 0.708803 0.813566 1.16139 -44.2127 0.394719 -44.9789 13.4239 TIMING: 3172600 CPU: 10019.9, 0.00317281/step Wall: 10019.9, 0.00317281/step, 1.61055 hours remaining, 236.285156 MB of memory in use. ENERGY: 3172600 4062.4260 20486.1723 14320.0898 248.3213 -203210.1919 2454.5495 0.0000 0.0000 52212.9655 -109425.6675 300.0686 -161638.6330 -109067.7843 299.0248 -150.9159 -129.2910 761376.1414 2.5312 2.5557 PRESSURE: 3172800 -249.297 -115.896 163.667 -115.896 -70.5053 79.7785 163.666 79.7776 182.564 GPRESSURE: 3172800 -83.6769 -131.351 183.111 -95.5885 -111.984 98.2888 -34.6641 10.0255 146.286 PRESSAVG: 3172800 -22.5701 24.9108 6.12176 24.9107 40.3451 -32.8838 6.12179 -32.8838 18.4184 GPRESSAVG: 3172800 -21.0671 24.9249 4.56624 25.5545 38.3645 -32.6546 6.56892 -33.5228 19.1493 TIMING: 3172800 CPU: 10020.6, 0.00315321/step Wall: 10020.6, 0.00315321/step, 1.60043 hours remaining, 236.476562 MB of memory in use. ENERGY: 3172800 4006.7240 20513.7077 14329.1539 236.2950 -203396.4551 2967.1254 0.0000 0.0000 52041.1074 -109302.3418 299.0810 -161343.4492 -108946.8942 299.1797 -45.7463 -16.4584 762525.7471 12.0645 12.1489 PRESSURE: 3173000 -17.2272 113.395 -197.11 113.396 -276.69 -38.2395 -197.109 -38.2393 64.2192 GPRESSURE: 3173000 10.3368 -4.19987 -220.124 166.843 -197.617 -43.6888 -111.722 -25.4316 41.4504 PRESSAVG: 3173000 27.6367 19.9782 3.91141 19.9781 -94.5799 38.2854 3.91138 38.2854 12.352 GPRESSAVG: 3173000 26.1365 18.7864 6.56559 21.1318 -92.8334 36.8005 5.14235 40.0352 11.8842 TIMING: 3173000 CPU: 10021.2, 0.00314339/step Wall: 10021.2, 0.00314339/step, 1.59527 hours remaining, 236.476562 MB of memory in use. ENERGY: 3173000 3983.2961 20605.8259 14381.4985 225.7293 -203304.7670 2474.3274 0.0000 0.0000 52197.0526 -109437.0373 299.9772 -161634.0899 -109067.0059 299.4803 -76.5660 -48.6099 760991.5177 -18.1970 -18.2709 PRESSURE: 3173200 -5.54681 -181.506 -117.235 -181.506 48.5838 101.473 -117.235 101.472 -212.696 GPRESSURE: 3173200 5.87919 -139.732 -154.293 -71.0128 45.9947 188.367 -167.482 81.8046 -156.798 PRESSAVG: 3173200 -30.6823 -35.346 4.1972 -35.346 17.449 28.4845 4.19722 28.4845 27.5525 GPRESSAVG: 3173200 -30.2468 -35.0252 1.83167 -35.5935 16.751 29.9743 3.38939 27.9892 28.3711 TIMING: 3173200 CPU: 10021.8, 0.00314955/step Wall: 10021.8, 0.00314955/step, 1.59822 hours remaining, 236.476562 MB of memory in use. ENERGY: 3173200 4009.4509 20455.3693 14341.6446 258.8680 -202722.9971 2381.8240 0.0000 0.0000 51863.0700 -109412.7703 298.0578 -161275.8403 -109048.0630 299.6335 -56.5529 -34.9748 762434.0114 4.7731 4.9584 PRESSURE: 3173400 -60.0747 -32.006 276.697 -32.0059 -177.481 -68.2843 276.696 -68.2842 -12.5241 GPRESSURE: 3173400 -36.9127 10.3152 301.345 -48.5208 -144.532 38.2971 181.143 -192.171 18.4863 PRESSAVG: 3173400 -16.0443 19.1887 13.2466 19.1888 27.5644 -14.4583 13.2466 -14.4583 -10.3884 GPRESSAVG: 3173400 -17.2482 19.6611 15.0509 19.1931 27.7891 -14.2072 10.57 -14.7266 -9.74259 TIMING: 3173400 CPU: 10022.5, 0.00318585/step Wall: 10022.5, 0.00318585/step, 1.61646 hours remaining, 236.476562 MB of memory in use. ENERGY: 3173400 4009.3341 20440.1564 14406.5577 237.9178 -202994.6747 2474.2568 0.0000 0.0000 51930.6941 -109495.7579 298.4464 -161426.4520 -109143.6787 299.2335 -83.3599 -54.3195 761366.5034 0.3772 0.2661 PRESSURE: 3173600 110.734 -150.682 213.049 -150.683 67.5747 206.121 213.049 206.121 301.004 GPRESSURE: 3173600 118.045 -257.273 262.349 -110.89 118.36 241.322 144.165 238.858 317.994 PRESSAVG: 3173600 -40.5565 -41.3079 -39.0446 -41.3079 34.3931 -23.7736 -39.0445 -23.7737 9.281 GPRESSAVG: 3173600 -38.3923 -40.8318 -38.3889 -41.8191 33.5401 -23.9562 -41.3742 -23.3198 8.81494 TIMING: 3173600 CPU: 10023.1, 0.00315119/step Wall: 10023.1, 0.00315119/step, 1.5987 hours remaining, 236.476562 MB of memory in use. ENERGY: 3173600 3880.9752 20393.6322 14320.1095 236.9577 -203124.9426 2505.2759 0.0000 0.0000 52477.8668 -109310.1253 301.5910 -161787.9921 -108939.2783 298.8356 159.7708 184.7995 761480.2760 1.0392 1.3209 PRESSURE: 3173800 -6.91924 -42.875 -30.6938 -42.8751 189.13 278.314 -30.6943 278.314 135.476 GPRESSURE: 3173800 96.8751 21.9481 -80.9154 -26.6328 228.466 265.716 31.2058 153.625 79.2519 PRESSAVG: 3173800 -20.6995 -96.5363 -26.2808 -96.5364 16.1984 1.55687 -26.2808 1.55693 15.7205 GPRESSAVG: 3173800 -19.5497 -96.2268 -27.2475 -94.9627 15.7374 1.80896 -23.7628 3.37657 15.1726 TIMING: 3173800 CPU: 10023.7, 0.00315416/step Wall: 10023.7, 0.00315416/step, 1.60004 hours remaining, 236.476562 MB of memory in use. ENERGY: 3173800 3992.1186 20361.6816 14470.8199 245.7513 -202878.5506 2462.9742 0.0000 0.0000 51969.9821 -109375.2229 298.6722 -161345.2050 -109020.1021 298.9145 105.8955 134.8642 762485.5797 3.7398 3.7868 PRESSURE: 3174000 114.605 28.2335 87.9919 28.2337 278.724 252.186 87.991 252.186 -273.062 GPRESSURE: 3174000 103.803 78.4811 82.9987 -72.8031 314.718 195.349 122.909 258.985 -226.293 PRESSAVG: 3174000 -25.324 23.3421 42.2336 23.3421 13.7874 18.8617 42.2336 18.8617 -16.982 GPRESSAVG: 3174000 -26.3676 23.6777 41.3469 22.4302 13.9402 19.5883 44.1721 17.5989 -16.2407 TIMING: 3174000 CPU: 10024.4, 0.00315411/step Wall: 10024.4, 0.00315411/step, 1.59983 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: 3174000 3962.6293 20489.1087 14403.1389 246.3719 -203455.0043 2770.2930 0.0000 0.0000 52231.7202 -109351.7422 300.1764 -161583.4624 -108993.7613 299.3594 40.0890 64.0762 761676.1633 -9.5062 -9.5560 PRESSURE: 3174200 -39.352 -113.57 -96.5693 -113.57 239.206 -54.2668 -96.5693 -54.2675 -140.88 GPRESSURE: 3174200 37.6018 -177.122 -158.166 -79.0054 250.653 -58.4851 33.3119 27.579 -136.506 PRESSAVG: 3174200 -54.7433 15.2981 16.6564 15.2981 20.0318 46.8496 16.6564 46.8497 5.01865 GPRESSAVG: 3174200 -54.4087 13.0502 15.8349 15.7615 20.3072 46.4227 16.9924 44.9072 4.61022 TIMING: 3174200 CPU: 10025, 0.00313723/step Wall: 10025, 0.00313723/step, 1.5911 hours remaining, 236.476562 MB of memory in use. ENERGY: 3174200 3992.7285 20422.3624 14449.3385 249.8716 -203418.9095 2796.3125 0.0000 0.0000 52167.3402 -109340.9559 299.8064 -161508.2961 -108979.9753 299.2008 19.6581 50.5827 761646.6731 -9.8976 -9.8305 PRESSURE: 3174400 -25.1262 151.222 -112.917 151.223 59.6359 -123.384 -112.918 -123.384 -223.866 GPRESSURE: 3174400 -33.3255 121.474 -95.928 80.7882 97.2868 -133.871 -263.202 -162.351 -163.221 PRESSAVG: 3174400 6.49552 -1.77791 -15.5626 -1.7779 24.1593 -12.0345 -15.5625 -12.0345 -5.58329 GPRESSAVG: 3174400 5.31929 -0.736793 -13.9322 -2.08593 24.7661 -11.7171 -15.8884 -11.7326 -5.05018 TIMING: 3174400 CPU: 10025.6, 0.00313752/step Wall: 10025.6, 0.00313752/step, 1.59107 hours remaining, 236.476562 MB of memory in use. ENERGY: 3174400 4051.5198 20555.6825 14403.8466 232.5794 -203303.5233 2679.7133 0.0000 0.0000 51848.9782 -109531.2036 297.9768 -161380.1817 -109169.7369 299.1930 -63.1187 -33.0865 762296.9376 8.3572 8.3451 PRESSURE: 3174600 14.8762 40.3026 -36.1039 40.3031 117.448 -9.26257 -36.1032 -9.26275 75.7184 GPRESSURE: 3174600 71.9558 73.2077 -48.6255 81.0859 141.811 86.0987 -84.8372 -54.6363 89.2696 PRESSAVG: 3174600 -11.4954 -6.74841 -57.2523 -6.74842 14.314 43.0338 -57.2522 43.0338 -19.3625 GPRESSAVG: 3174600 -11.1114 -8.18386 -56.5665 -6.07979 13.6026 42.5774 -58.2045 43.7095 -19.5639 TIMING: 3174600 CPU: 10026.2, 0.00314003/step Wall: 10026.2, 0.00314003/step, 1.59217 hours remaining, 236.476562 MB of memory in use. ENERGY: 3174600 4000.6254 20595.9461 14365.4498 250.1613 -203579.8109 2789.2033 0.0000 0.0000 51752.0801 -109826.3448 297.4199 -161578.4250 -109468.9654 298.1789 69.3477 101.0123 763495.3612 -5.5147 -5.6909 PRESSURE: 3174800 -450.298 -292.112 -139.421 -292.113 -225.216 31.2713 -139.421 31.2714 -150.491 GPRESSURE: 3174800 -406.583 -179.987 -81.1949 -244.494 -151.269 120.418 -81.1734 71.7096 -169.898 PRESSAVG: 3174800 17.5244 -25.0358 -0.189988 -25.0358 -7.31362 17.9846 -0.189995 17.9846 -23.9739 GPRESSAVG: 3174800 17.1638 -21.8744 0.176502 -25.5742 -6.95254 19.3531 1.7257 15.7735 -23.601 TIMING: 3174800 CPU: 10026.9, 0.00314066/step Wall: 10026.9, 0.00314066/step, 1.59231 hours remaining, 236.476562 MB of memory in use. ENERGY: 3174800 4096.6162 20425.1925 14343.2030 233.1500 -203475.9722 2600.5607 0.0000 0.0000 52043.5476 -109733.7020 299.0950 -161777.2496 -109375.0871 298.8705 -275.3347 -242.5831 763416.0348 -4.5877 -4.4632 PRESSURE: 3175000 -114.809 -45.6324 81.8254 -45.6321 114.537 50.3474 81.8272 50.3478 240.42 GPRESSURE: 3175000 -25.7908 -95.8633 11.8556 24.3573 97.2714 8.82128 83.8399 -8.71775 245.296 PRESSAVG: 3175000 -28.7421 -75.9801 -19.7169 -75.9801 21.8942 59.032 -19.7169 59.032 -1.94584 GPRESSAVG: 3175000 -29.2861 -78.1508 -21.9639 -74.5738 22.2745 57.3488 -19.7846 59.5078 -2.41851 TIMING: 3175000 CPU: 10027.5, 0.00315231/step Wall: 10027.5, 0.00315231/step, 1.59805 hours remaining, 236.476562 MB of memory in use. ENERGY: 3175000 3943.3515 20468.0327 14409.5260 254.7540 -203650.6673 2800.0866 0.0000 0.0000 52249.4845 -109525.4320 300.2785 -161774.9165 -109157.7433 299.1520 80.0495 105.5921 761386.5351 -2.9313 -3.1434 PRESSURE: 3175200 156.987 -58.0093 188.681 -58.0094 -83.963 34.4957 188.681 34.4965 -134.926 GPRESSURE: 3175200 236.481 -43.2378 111.919 2.97632 -147.301 -2.45271 103.884 41.2764 -80.2137 PRESSAVG: 3175200 12.4768 -51.0321 20.0203 -51.032 37.6907 -0.442997 20.0203 -0.442956 25.8623 GPRESSAVG: 3175200 11.8529 -50.3832 21.147 -52.4421 36.8412 0.373902 17.798 0.800455 26.6535 TIMING: 3175200 CPU: 10028.1, 0.00314327/step Wall: 10028.1, 0.00314327/step, 1.59329 hours remaining, 236.476562 MB of memory in use. ENERGY: 3175200 4038.5193 20536.6843 14414.4211 255.7851 -203636.2547 2874.3547 0.0000 0.0000 52182.2999 -109334.1903 299.8924 -161516.4902 -108964.7032 299.2810 -20.6340 2.9887 762106.8099 25.3433 25.1158 PRESSURE: 3175400 -122.714 -135.362 130.216 -135.363 -40.0491 -144.081 130.216 -144.08 36.2399 GPRESSURE: 3175400 -22.8318 -39.3836 105.247 -110.359 62.0719 -116.474 88.7054 -79.6877 -60.351 PRESSAVG: 3175400 -25.5966 -59.5272 -4.97101 -59.5272 16.839 22.8853 -4.97099 22.8853 -8.44049 GPRESSAVG: 3175400 -24.1038 -60.4254 -3.11199 -58.2287 16.4968 22.1713 -4.18661 24.6952 -9.20532 TIMING: 3175400 CPU: 10028.8, 0.00313586/step Wall: 10028.8, 0.00313586/step, 1.58936 hours remaining, 236.476562 MB of memory in use. ENERGY: 3175400 3944.1607 20593.5157 14431.6626 240.0780 -203476.2679 2653.0470 0.0000 0.0000 52149.3475 -109464.4563 299.7030 -161613.8038 -109094.9593 299.7145 -42.1744 -7.0370 761130.8614 -5.7327 -5.6041 PRESSURE: 3175600 210.805 249.818 -78.5559 249.819 98.3079 -88.7259 -78.5552 -88.7265 -28.1614 GPRESSURE: 3175600 223.247 218.766 -159.495 125.05 132.442 -74.382 -1.66291 -176.199 14.8759 PRESSAVG: 3175600 65.392 -21.6645 -6.10565 -21.6645 -29.8962 14.4724 -6.1056 14.4725 -8.57927 GPRESSAVG: 3175600 65.3974 -21.7692 -7.51299 -21.9087 -28.9857 14.6135 -6.95695 10.6274 -9.33152 TIMING: 3175600 CPU: 10029.4, 0.0031522/step Wall: 10029.4, 0.0031522/step, 1.59746 hours remaining, 236.476562 MB of memory in use. ENERGY: 3175600 3993.4577 20632.1265 14420.8493 240.4810 -203381.3191 2627.3591 0.0000 0.0000 52179.2231 -109287.8224 299.8747 -161467.0454 -108924.5765 299.5505 93.6505 123.5214 761719.0328 8.9722 9.0267 PRESSURE: 3175800 250.138 0.814933 280.068 0.815445 246.575 24.5649 280.069 24.5642 -351.039 GPRESSURE: 3175800 315.289 11.239 252.521 45.179 246.42 -28.7763 245.892 88.798 -324.278 PRESSAVG: 3175800 2.99347 25.1311 -9.32832 25.1312 12.8918 -55.4684 -9.32824 -55.4684 6.99297 GPRESSAVG: 3175800 3.88655 27.5773 -11.7763 24.2138 12.4309 -54.0948 -7.58078 -52.9512 7.03514 TIMING: 3175800 CPU: 10030, 0.0031577/step Wall: 10030, 0.0031577/step, 1.60008 hours remaining, 236.476562 MB of memory in use. ENERGY: 3175800 4014.2520 20547.1778 14432.7161 248.7033 -203342.8667 2570.1406 0.0000 0.0000 52347.4408 -109182.4362 300.8415 -161529.8770 -108822.2744 299.6944 48.5581 79.1436 762116.6833 7.6261 7.7842 PRESSURE: 3176000 -83.1332 118.741 -60.1217 118.741 -146.483 -128.997 -60.1205 -128.996 -419.417 GPRESSURE: 3176000 -47.1587 108.589 24.6623 59.5786 -160.945 -180.814 -42.1947 -214.614 -354.634 PRESSAVG: 3176000 -42.2464 -30.0376 -10.5984 -30.0376 17.1271 -13.8337 -10.5984 -13.8337 -11.7521 GPRESSAVG: 3176000 -43.9501 -30.7117 -8.6011 -29.8855 17.6101 -16.0033 -11.1814 -14.3554 -10.7927 TIMING: 3176000 CPU: 10030.7, 0.00316215/step Wall: 10030.7, 0.00316215/step, 1.60216 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: 3176000 3935.8043 20519.7653 14377.8838 242.5351 -202663.5319 2193.5862 0.0000 0.0000 52124.2632 -109269.6940 299.5589 -161393.9572 -108898.6384 299.5832 -216.3444 -187.5791 761674.0759 -12.2905 -12.3776 PRESSURE: 3176200 -37.4994 -63.8232 -21.2722 -63.824 133.815 -173.471 -21.2732 -173.472 -32.9711 GPRESSURE: 3176200 -0.823284 -104.38 97.571 -44.8179 125.589 -215.344 -98.4557 -206.631 26.0789 PRESSAVG: 3176200 44.311 -1.13708 45.5321 -1.13708 -68.1134 14.7727 45.532 14.7726 16.1561 GPRESSAVG: 3176200 44.3637 -2.79114 47.7798 -2.61954 -68.278 15.9611 45.5012 14.0043 16.2557 TIMING: 3176200 CPU: 10031.3, 0.00317212/step Wall: 10031.3, 0.00317212/step, 1.60703 hours remaining, 236.476562 MB of memory in use. ENERGY: 3176200 4030.1139 20662.8851 14426.4488 234.9634 -203752.1258 2942.3554 0.0000 0.0000 52268.7764 -109186.5828 300.3894 -161455.3592 -108832.1567 299.5154 21.1147 50.2814 761012.6684 -2.5488 -2.5529 LDB: ============= START OF LOAD BALANCING ============== 10043.8 LDB: ============== END OF LOAD BALANCING =============== 10043.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10043.8 LDB: ============= START OF LOAD BALANCING ============== 10044.1 LDB: Largest compute 7060 load 0.032880 is 16.8% of average load 0.195664 LDB: Average compute 0.004366 is 2.2% of average load 0.195664 LDB: TIME 10044.1 LOAD: AVG 0.195664 MAX 0.214333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 10044.1 LOAD: AVG 0.195664 MAX 0.214333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 10044.1 LOAD: AVG 0.195664 MAX 0.214333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 10044.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10044.2 PRESSURE: 3176400 -460.573 81.3067 -52.7131 81.3062 -66.1757 74.7876 -52.7137 74.7868 4.83718 GPRESSURE: 3176400 -311.847 -17.2963 -45.3391 65.326 -92.8512 29.5392 -102.926 135.706 -26.2115 PRESSAVG: 3176400 8.79679 14.7496 -4.82348 14.7496 0.990937 53.4486 -4.82342 53.4485 -17.1821 GPRESSAVG: 3176400 9.83951 14.6897 -6.28775 15.8412 2.44261 53.6102 -5.81872 53.622 -19.2199 TIMING: 3176400 CPU: 10031.9, 0.00324245/step Wall: 10031.9, 0.00324245/step, 1.64248 hours remaining, 236.437500 MB of memory in use. ENERGY: 3176400 3991.7120 20519.9369 14461.2955 252.7895 -202762.8429 2121.0043 0.0000 0.0000 52115.6179 -109300.4867 299.5092 -161416.1047 -108929.8118 299.6416 -173.9704 -143.6366 762187.8783 -2.4648 -2.3126 PRESSURE: 3176600 -62.9223 41.0083 -31.2309 41.0085 -163.907 142.739 -31.2303 142.74 -30.8862 GPRESSURE: 3176600 28.5843 123.862 -3.07316 86.8362 -148.041 67.6269 31.5729 169.015 -51.5415 PRESSAVG: 3176600 -15.1512 -25.7372 -23.5792 -25.7373 3.24573 24.9359 -23.5792 24.936 7.9205 GPRESSAVG: 3176600 -16.6271 -25.6401 -24.127 -25.2991 2.13171 25.7835 -22.6098 24.9736 9.81273 TIMING: 3176600 CPU: 10032.6, 0.00317667/step Wall: 10032.6, 0.00317667/step, 1.60898 hours remaining, 236.640625 MB of memory in use. ENERGY: 3176600 4000.0168 20505.9634 14426.0011 241.3405 -202987.5808 2371.8857 0.0000 0.0000 52101.9598 -109340.4135 299.4307 -161442.3733 -108975.7533 299.5701 -85.9051 -56.9993 762525.5349 -1.3283 -1.5609 PRESSURE: 3176800 -190.621 14.9572 -49.0695 14.9572 -17.771 -146.926 -49.0695 -146.926 -170.21 GPRESSURE: 3176800 -116.116 3.63977 -78.7757 181.09 49.0436 -173.143 -40.01 -196.55 -227.169 PRESSAVG: 3176800 -42.637 34.7405 -18.3016 34.7404 13.9806 9.81593 -18.3016 9.81587 -7.4803 GPRESSAVG: 3176800 -42.083 35.382 -18.4158 35.4134 13.7348 10.9001 -17.9588 8.58033 -8.21303 TIMING: 3176800 CPU: 10033.2, 0.00315641/step Wall: 10033.2, 0.00315641/step, 1.59854 hours remaining, 236.640625 MB of memory in use. ENERGY: 3176800 4024.2548 20418.0231 14416.3869 269.2780 -203317.1843 2633.9343 0.0000 0.0000 52164.8468 -109390.4604 299.7921 -161555.3072 -109027.8875 299.3267 -126.2006 -98.0805 762737.6394 -12.0456 -12.1871 PRESSURE: 3177000 121.136 25.5349 53.9373 25.5359 1.28337 38.851 53.9372 38.8509 108.452 GPRESSURE: 3177000 94.5396 49.9809 162.314 -22.4349 27.6537 29.7299 -6.72642 75.2178 191.926 PRESSAVG: 3177000 -43.0534 -7.41014 3.26623 -7.41017 53.7327 7.34295 3.26625 7.34288 13.8194 GPRESSAVG: 3177000 -43.7099 -6.34426 3.97417 -9.53197 53.3239 5.29516 2.18226 6.46723 14.7124 TIMING: 3177000 CPU: 10033.8, 0.00315667/step Wall: 10033.8, 0.00315667/step, 1.5985 hours remaining, 236.640625 MB of memory in use. ENERGY: 3177000 4061.7938 20637.1007 14401.4284 226.7378 -203628.2860 2636.8409 0.0000 0.0000 52200.4164 -109463.9680 299.9965 -161664.3843 -109099.8519 299.7334 76.9571 104.7064 760435.7045 8.1662 8.1088 PRESSURE: 3177200 -32.2634 -53.5155 51.0714 -53.5162 364.346 225.474 51.0717 225.474 -62.4428 GPRESSURE: 3177200 -9.1376 4.98887 114.97 -93.3465 359.21 226.381 -50.7037 268.883 5.16388 PRESSAVG: 3177200 -40.5255 -11.9509 -20.9149 -11.951 58.598 14.6336 -20.9149 14.6336 4.27747 GPRESSAVG: 3177200 -39.9648 -14.7285 -21.0862 -12.1305 58.9817 14.9428 -19.1034 19.2451 3.28408 TIMING: 3177200 CPU: 10034.5, 0.00314624/step Wall: 10034.5, 0.00314624/step, 1.59304 hours remaining, 236.640625 MB of memory in use. ENERGY: 3177200 3987.0748 20554.5277 14433.1735 233.4358 -203475.9121 2597.5144 0.0000 0.0000 52144.5958 -109525.5901 299.6757 -161670.1859 -109160.3110 299.4949 89.8799 118.4120 761731.7327 7.4500 7.4337 PRESSURE: 3177400 -27.8944 -7.88393 -20.5197 -7.88291 5.28124 105.864 -20.5199 105.865 -38.6579 GPRESSURE: 3177400 35.4447 39.2788 -44.8394 100.149 -5.2632 185.013 -175.974 -38.287 -5.47093 PRESSAVG: 3177400 -15.495 27.8046 -5.85126 27.8046 37.57 64.9587 -5.85127 64.9587 5.25439 GPRESSAVG: 3177400 -14.5748 28.2621 -7.92192 29.5169 37.3522 65.032 -7.15866 62.4232 4.50387 TIMING: 3177400 CPU: 10035.1, 0.00313349/step Wall: 10035.1, 0.00313349/step, 1.58642 hours remaining, 236.640625 MB of memory in use. ENERGY: 3177400 3939.3283 20452.5745 14435.5035 246.8617 -203618.9565 2775.4162 0.0000 0.0000 52072.1742 -109697.0981 299.2595 -161769.2723 -109335.7820 299.7759 -20.4237 8.2369 760483.9377 9.1098 9.0937 PRESSURE: 3177600 -144.816 -67.664 108.335 -67.6641 -23.7673 -48.0832 108.334 -48.083 63.4172 GPRESSURE: 3177600 -9.49363 -149.427 120.313 -99.3515 25.4773 -28.7606 52.7827 -25.3108 -24.1136 PRESSAVG: 3177600 25.4629 3.60863 17.5505 3.60864 -56.0188 56.1298 17.5506 56.1298 31.3268 GPRESSAVG: 3177600 24.1292 4.46665 17.9606 2.73274 -54.5897 55.3832 19.9048 56.805 31.5523 TIMING: 3177600 CPU: 10035.7, 0.00313735/step Wall: 10035.7, 0.00313735/step, 1.5882 hours remaining, 236.640625 MB of memory in use. ENERGY: 3177600 3930.0297 20527.2504 14402.4439 261.6169 -203851.0874 2706.2219 0.0000 0.0000 52235.2137 -109788.3109 300.1965 -162023.5246 -109419.3173 299.1371 -35.0554 -2.7100 759770.5685 0.2570 0.3639 PRESSURE: 3177800 -42.6424 -137.107 97.3729 -137.107 -99.7743 0.97278 97.3734 0.972342 -150.983 GPRESSURE: 3177800 -66.5122 -206.189 119.625 -36.7955 -73.3286 -54.1905 56.2402 123.508 -58.2371 PRESSAVG: 3177800 -3.7236 -18.5826 -0.580629 -18.5826 -16.5903 38.5903 -0.580612 38.5902 -8.43507 GPRESSAVG: 3177800 -2.35026 -20.5926 0.523799 -16.4906 -18.9346 38.6944 -2.71798 37.5939 -7.12534 TIMING: 3177800 CPU: 10036.3, 0.00313097/step Wall: 10036.3, 0.00313097/step, 1.58479 hours remaining, 236.640625 MB of memory in use. ENERGY: 3177800 4081.6256 20540.2136 14440.7896 223.2488 -203904.6067 2854.1048 0.0000 0.0000 51975.5258 -109789.0986 298.7041 -161764.6243 -109433.3681 299.0264 -97.8000 -66.0260 760789.6165 -9.5830 -9.4701 PRESSURE: 3178000 19.554 -111.346 -180.112 -111.346 2.99273 -86.1617 -180.112 -86.1611 -357.353 GPRESSURE: 3178000 15.0536 -116.831 -230.424 -64.7776 -7.15338 -138.058 -215.215 -123.158 -259.875 PRESSAVG: 3178000 22.1416 9.39926 25.74 9.39927 3.92432 -77.1729 25.74 -77.1729 -0.657736 GPRESSAVG: 3178000 20.9138 10.8953 25.2237 7.6986 4.26553 -76.7123 25.299 -75.4221 -0.155628 TIMING: 3178000 CPU: 10037, 0.00314556/step Wall: 10037, 0.00314556/step, 1.592 hours remaining, 236.640625 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: 3178000 4061.8295 20452.1600 14375.6160 229.9785 -204299.6897 2986.6879 0.0000 0.0000 52181.7701 -110011.6477 299.8893 -162193.4178 -109659.8036 298.8349 -111.6021 -83.9916 760332.6551 8.4694 8.3412 PRESSURE: 3178200 -189.559 55.7522 106.602 55.7523 -162.902 105.443 106.601 105.444 127.691 GPRESSURE: 3178200 -202.038 3.52297 73.2789 97.3484 -55.9061 137.402 73.0139 115.887 105.188 PRESSAVG: 3178200 46.2643 39.2463 21.898 39.2463 8.35164 -44.0992 21.8979 -44.0992 -11.0889 GPRESSAVG: 3178200 47.3183 38.5246 22.3506 39.4885 8.3392 -44.033 21.6727 -44.4084 -12.0817 TIMING: 3178200 CPU: 10037.6, 0.00313271/step Wall: 10037.6, 0.00313271/step, 1.58532 hours remaining, 236.640625 MB of memory in use. ENERGY: 3178200 3979.4255 20383.2685 14389.8908 252.3641 -203701.3533 2597.8192 0.0000 0.0000 52215.6844 -109882.9007 300.0843 -162098.5851 -109510.3786 298.4646 -74.9234 -50.9185 762609.5215 14.5090 14.5253 PRESSURE: 3178400 -235.064 -260.936 22.5477 -260.936 -308.234 -236.074 22.5484 -236.074 135.784 GPRESSURE: 3178400 -258.278 -171.991 -8.72986 -132.442 -232.135 -208.715 12.2057 -213.823 147.492 PRESSAVG: 3178400 -37.5709 -20.7475 -0.219587 -20.7475 -31.7974 -20.8995 -0.219613 -20.8994 23.8416 GPRESSAVG: 3178400 -38.2934 -17.4031 -0.833237 -20.7313 -30.9768 -19.604 2.21356 -21.1859 23.5929 TIMING: 3178400 CPU: 10038.2, 0.00315633/step Wall: 10038.2, 0.00315633/step, 1.5971 hours remaining, 236.640625 MB of memory in use. ENERGY: 3178400 3949.7016 20508.4515 14470.8445 230.9772 -203877.6700 2893.7418 0.0000 0.0000 51953.7696 -109870.1838 298.5790 -161823.9534 -109515.1408 298.5057 -135.8381 -114.3069 763654.9000 -15.1756 -15.2258 PRESSURE: 3178600 -249.027 46.664 43.4024 46.6637 -50.6896 74.266 43.402 74.2673 -132.112 GPRESSURE: 3178600 -246.934 14.3795 44.7693 -163.936 21.3063 -44.4965 -28.3146 4.82109 -120.316 PRESSAVG: 3178600 2.75806 -42.8782 -53.8974 -42.8782 -8.17666 -56.7562 -53.8974 -56.7562 -5.60778 GPRESSAVG: 3178600 2.8787 -44.6892 -52.8566 -43.5034 -8.65095 -57.7772 -55.6414 -55.8186 -5.84892 TIMING: 3178600 CPU: 10038.9, 0.00315643/step Wall: 10038.9, 0.00315643/step, 1.59698 hours remaining, 236.640625 MB of memory in use. ENERGY: 3178600 4021.6340 20446.0468 14410.6899 246.9889 -203628.9998 2739.8834 0.0000 0.0000 52000.0915 -109763.6653 298.8452 -161763.7568 -109401.6438 298.5490 -143.9427 -115.3145 762150.1415 -3.6755 -3.8737 PRESSURE: 3178800 223.894 235.232 -158.677 235.231 -48.3049 -225.445 -158.678 -225.445 339.003 GPRESSURE: 3178800 289.228 239.072 -109.18 214.582 10.7219 -122.124 -171.922 -207.021 325.729 PRESSAVG: 3178800 -22.8862 -26.9465 -8.61236 -26.9465 15.1378 -24.4087 -8.61227 -24.4087 -17.6354 GPRESSAVG: 3178800 -22.9746 -27.5646 -9.33759 -26.2908 15.467 -24.7293 -9.44296 -23.1198 -18.256 TIMING: 3178800 CPU: 10039.5, 0.0031865/step Wall: 10039.5, 0.0031865/step, 1.61201 hours remaining, 236.640625 MB of memory in use. ENERGY: 3178800 3994.6921 20519.4782 14406.4614 236.6281 -203443.7224 2910.9179 0.0000 0.0000 51753.2495 -109622.2951 297.4266 -161375.5447 -109260.1605 298.5534 171.5308 208.5597 762360.3380 -8.4613 -8.5879 PRESSURE: 3179000 315.842 -106.115 -39.2901 -106.115 -207.947 188.099 -39.2905 188.099 -379.24 GPRESSURE: 3179000 277.071 -59.8056 -53.53 -25.9037 -161.382 260.196 37.8068 89.4008 -308.917 PRESSAVG: 3179000 -29.8212 -13.368 -19.4459 -13.368 51.3345 19.0745 -19.4459 19.0745 -25.7788 GPRESSAVG: 3179000 -29.4161 -12.8149 -18.5089 -11.4163 50.8073 20.5012 -18.979 16.8954 -26.2085 TIMING: 3179000 CPU: 10040.1, 0.00323411/step Wall: 10040.1, 0.00323411/step, 1.63592 hours remaining, 236.640625 MB of memory in use. ENERGY: 3179000 4001.4060 20530.9546 14439.5492 233.3756 -203426.2053 2756.2330 0.0000 0.0000 51709.4674 -109755.2196 297.1750 -161464.6869 -109404.0561 298.8964 -90.4487 -64.4091 764073.9353 -1.4218 -1.6058 PRESSURE: 3179200 33.7535 142.648 118.106 142.649 -53.0293 145.374 118.106 145.375 -216.219 GPRESSURE: 3179200 89.1831 163.454 7.44916 -28.5914 -54.2274 210.049 111.862 67.202 -180.567 PRESSAVG: 3179200 -22.1678 -11.0748 -22.3587 -11.0748 -19.4569 -33.3801 -22.3587 -33.38 8.09593 GPRESSAVG: 3179200 -22.6767 -10.9195 -22.5164 -12.907 -19.6702 -34.469 -18.6108 -32.7491 8.43046 TIMING: 3179200 CPU: 10040.8, 0.00321149/step Wall: 10040.8, 0.00321149/step, 1.6243 hours remaining, 236.640625 MB of memory in use. ENERGY: 3179200 3999.5969 20450.5974 14389.6517 253.5688 -203662.0272 3042.0962 0.0000 0.0000 51862.8685 -109663.6477 298.0566 -161526.5161 -109296.3673 299.2376 -78.4983 -48.5370 764666.3439 -11.1763 -11.3055 PRESSURE: 3179400 113.722 -26.5927 -257.339 -26.5935 -85.5544 155.971 -257.338 155.972 -358.231 GPRESSURE: 3179400 93.2169 -69.6685 -267.898 29.9752 -111.067 118.247 -233.224 212.351 -244.422 PRESSAVG: 3179400 22.2299 0.83966 -2.95682 0.839676 -11.9347 -14.6375 -2.9568 -14.6374 19.582 GPRESSAVG: 3179400 22.7768 1.8576 -3.00362 1.88763 -12.0292 -15.8002 -4.34392 -13.9982 19.0611 TIMING: 3179400 CPU: 10041.4, 0.0031914/step Wall: 10041.4, 0.0031914/step, 1.61396 hours remaining, 236.640625 MB of memory in use. ENERGY: 3179400 4031.2487 20608.3749 14373.1901 241.9322 -203728.7978 2773.7044 0.0000 0.0000 52057.8603 -109642.4871 299.1772 -161700.3474 -109275.2337 299.0314 -110.0214 -87.4239 764373.8253 9.9591 9.9362 PRESSURE: 3179600 -92.5033 11.095 14.8259 11.0955 -4.06177 73.8714 14.8259 73.871 209.456 GPRESSURE: 3179600 -67.1912 141.797 66.1473 -78.5259 48.8493 41.3004 33.3647 84.3501 215.778 PRESSAVG: 3179600 -4.75166 -31.7438 -28.4865 -31.7438 -25.7436 22.6874 -28.4865 22.6874 -4.20263 GPRESSAVG: 3179600 -6.23689 -30.7588 -27.7694 -32.5756 -25.0573 22.053 -31.5029 23.4492 -3.42854 TIMING: 3179600 CPU: 10042.1, 0.00319439/step Wall: 10042.1, 0.00319439/step, 1.6153 hours remaining, 236.640625 MB of memory in use. ENERGY: 3179600 4058.2969 20482.0193 14354.4898 239.9970 -203624.7617 2645.8096 0.0000 0.0000 52224.2849 -109619.8641 300.1337 -161844.1490 -109252.6884 299.0506 37.6303 65.8119 761943.2754 -11.5660 -11.5742 PRESSURE: 3179800 -200.029 -38.1149 99.8171 -38.1137 153.767 -324.271 99.8166 -324.271 332.675 GPRESSURE: 3179800 -163.393 -154.253 67.6881 -34.9215 206.534 -224.755 172.97 -294.291 338.699 PRESSAVG: 3179800 -22.3324 -38.4543 23.8545 -38.4544 3.2007 -46.4897 23.8546 -46.4897 7.35533 GPRESSAVG: 3179800 -22.4484 -40.474 23.1158 -36.0189 2.65111 -44.5772 26.9178 -48.4357 7.43423 TIMING: 3179800 CPU: 10042.7, 0.00318383/step Wall: 10042.7, 0.00318383/step, 1.60978 hours remaining, 236.640625 MB of memory in use. ENERGY: 3179800 3936.4794 20549.2313 14358.2628 246.0560 -203643.3506 2817.8210 0.0000 0.0000 52137.2523 -109598.2479 299.6335 -161735.5002 -109233.2878 299.6055 95.4709 127.2800 763076.7801 -3.9255 -4.1210 PRESSURE: 3180000 44.3325 -285.516 -183.764 -285.516 19.1222 -46.1878 -183.764 -46.1875 -186.595 GPRESSURE: 3180000 60.9588 -291.712 -194.84 -288.148 115.885 27.8965 -233.001 71.1412 -198.123 PRESSAVG: 3180000 -25.7833 -44.082 7.40536 -44.082 73.434 -29.5517 7.40533 -29.5516 32.1434 GPRESSAVG: 3180000 -25.2183 -43.0976 8.5682 -44.7681 73.4464 -28.2082 5.65531 -29.414 31.6341 TIMING: 3180000 CPU: 10043.3, 0.00322465/step Wall: 10043.3, 0.00322465/step, 1.63024 hours remaining, 236.640625 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: 3180000 3994.7747 20417.6516 14460.8688 257.6264 -203420.2681 2664.2972 0.0000 0.0000 52262.2333 -109362.8160 300.3518 -161625.0494 -108998.6131 299.5254 -41.0469 -7.0932 762515.6758 26.5980 26.6207 PRESSURE: 3180200 132.529 104.594 -159.601 104.594 62.4719 -245.689 -159.601 -245.688 -10.1043 GPRESSURE: 3180200 207.559 54.2722 -152.586 64.9167 78.0457 -230.416 -281.496 -286.568 3.98768 PRESSAVG: 3180200 -33.1508 -21.2555 0.954123 -21.2555 26.2506 -3.99805 0.954125 -3.99805 -5.0012 GPRESSAVG: 3180200 -33.7972 -19.4856 -0.686404 -22.9671 26.2066 -6.68802 2.8343 -2.08454 -4.45194 TIMING: 3180200 CPU: 10044, 0.00321875/step Wall: 10044, 0.00321875/step, 1.62708 hours remaining, 236.640625 MB of memory in use. ENERGY: 3180200 4031.0138 20460.5344 14442.9907 233.1516 -203703.9616 2906.4728 0.0000 0.0000 52142.8437 -109486.9546 299.6656 -161629.7983 -109117.5614 299.9266 61.6322 96.5307 761633.0842 -3.9671 -4.0142 LDB: ============= START OF LOAD BALANCING ============== 10056.5 LDB: ============== END OF LOAD BALANCING =============== 10056.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10056.5 LDB: ============= START OF LOAD BALANCING ============== 10056.9 LDB: Largest compute 7027 load 0.032681 is 16.7% of average load 0.195740 LDB: Average compute 0.004345 is 2.2% of average load 0.195740 LDB: TIME 10056.9 LOAD: AVG 0.19574 MAX 0.2174 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.383 MB LDB: TIME 10056.9 LOAD: AVG 0.19574 MAX 0.2174 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: TIME 10056.9 LOAD: AVG 0.19574 MAX 0.2174 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: ============== END OF LOAD BALANCING =============== 10056.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10056.9 PRESSURE: 3180400 -25.6933 -159.721 -181.001 -159.721 -137.603 107.19 -181.001 107.191 -63.8484 GPRESSURE: 3180400 32.9836 56.5841 -201.16 -157.458 -198.777 82.2691 -120.545 128.719 26.4819 PRESSAVG: 3180400 -23.6063 -20.5422 32.8638 -20.5421 -1.29244 4.446 32.8639 4.44598 4.20946 GPRESSAVG: 3180400 -21.8813 -20.5876 32.109 -19.9969 -1.97883 6.13813 32.1748 0.642679 3.22862 TIMING: 3180400 CPU: 10044.6, 0.00328433/step Wall: 10044.6, 0.00328433/step, 1.66004 hours remaining, 234.644531 MB of memory in use. ENERGY: 3180400 3891.5835 20539.9755 14433.5930 233.6172 -203422.8961 2651.3582 0.0000 0.0000 51949.2075 -109723.5612 298.5528 -161672.7686 -109360.6782 299.2677 -75.7150 -46.4372 762824.2270 -6.8964 -6.8772 PRESSURE: 3180600 -259.734 139.229 -225.532 139.229 -3.94811 -57.5727 -225.532 -57.5714 234.433 GPRESSURE: 3180600 -216.086 88.7587 -283.732 126.73 5.79432 10.0812 -247.594 -88.1395 268.547 PRESSAVG: 3180600 38.0987 -11.902 15.0212 -11.902 -33.5834 5.67198 15.0212 5.67198 -6.41367 GPRESSAVG: 3180600 36.9315 -14.7312 15.1909 -10.2916 -33.6399 5.241 14.8568 7.51906 -5.16477 TIMING: 3180600 CPU: 10045.3, 0.00322051/step Wall: 10045.3, 0.00322051/step, 1.62761 hours remaining, 234.644531 MB of memory in use. ENERGY: 3180600 4020.0165 20493.8704 14420.8146 244.0695 -203342.4397 2652.9473 0.0000 0.0000 52041.4196 -109469.3018 299.0828 -161510.7214 -109109.1115 298.9658 -9.7496 19.4183 763163.1070 -0.6328 -0.6244 PRESSURE: 3180800 166.364 -16.2251 -7.61443 -16.2252 -143.933 -31.7618 -7.6143 -31.7605 173.251 GPRESSURE: 3180800 270.353 -56.6943 61.9548 33.301 -66.9709 -95.2298 0.934075 -2.71098 67.6108 PRESSAVG: 3180800 17.801 23.2159 16.3488 23.2158 -65.1238 9.79428 16.3488 9.79431 -35.3517 GPRESSAVG: 3180800 18.3064 24.3723 17.929 25.0621 -65.3577 9.15759 14.629 9.29298 -36.1992 TIMING: 3180800 CPU: 10045.9, 0.00319244/step Wall: 10045.9, 0.00319244/step, 1.61325 hours remaining, 234.644531 MB of memory in use. ENERGY: 3180800 4060.0963 20478.6722 14426.3834 226.0944 -203864.0012 3000.5820 0.0000 0.0000 52121.2550 -109550.9178 299.5416 -161672.1729 -109190.6804 299.4145 65.2273 90.3309 761229.0810 -27.5582 -27.7501 PRESSURE: 3181000 -298.336 112.136 -19.2412 112.136 439.702 185.2 -19.2418 185.2 -630.313 GPRESSURE: 3181000 -230.18 235.335 -128.721 145.124 374.446 251.468 182.877 147.442 -543.695 PRESSAVG: 3181000 -25.7735 22.3371 17.1143 22.3371 -1.4413 34.0431 17.1142 34.0431 19.245 GPRESSAVG: 3181000 -26.4091 22.665 15.2978 20.7583 -0.646745 34.6842 20.0599 33.871 19.0189 TIMING: 3181000 CPU: 10046.6, 0.00320852/step Wall: 10046.6, 0.00320852/step, 1.62119 hours remaining, 234.847656 MB of memory in use. ENERGY: 3181000 3965.1422 20488.1604 14387.0650 257.3573 -203463.4286 2900.7515 0.0000 0.0000 52245.5817 -109219.3705 300.2561 -161464.9522 -108857.9146 299.5120 -162.9825 -133.1430 764236.8493 -2.6566 -2.6790 PRESSURE: 3181200 -172.91 202.625 -10.3883 202.625 34.1487 -13.0395 -10.388 -13.0405 168.815 GPRESSURE: 3181200 -88.176 169.142 55.1202 305.799 86.8559 -31.7375 -118.458 48.4215 115.798 PRESSAVG: 3181200 12.106 5.77094 9.55258 5.77089 -18.8614 2.38976 9.55259 2.38978 -7.02558 GPRESSAVG: 3181200 12.4306 5.50208 11.6967 5.01456 -19.675 1.75705 6.90921 2.72244 -6.54704 TIMING: 3181200 CPU: 10047.2, 0.00320319/step Wall: 10047.2, 0.00320319/step, 1.61832 hours remaining, 234.847656 MB of memory in use. ENERGY: 3181200 3855.8239 20549.6263 14355.1535 240.6025 -203407.1645 2800.3577 0.0000 0.0000 52326.4395 -109279.1612 300.7208 -161605.6007 -108914.5465 299.8084 10.0179 38.1591 764257.7844 -4.5936 -4.5971 PRESSURE: 3181400 -341.532 79.5547 14.4916 79.5548 -114.056 18.2588 14.4914 18.2599 -205.922 GPRESSURE: 3181400 -230.856 8.57702 -39.2292 146.584 -81.8338 121.527 42.6209 8.33932 -253.806 PRESSAVG: 3181400 22.3726 53.0057 -7.74692 53.0056 -0.871288 -1.48544 -7.74699 -1.48529 -8.31161 GPRESSAVG: 3181400 22.9109 56.2143 -8.79457 53.9679 -1.50886 0.934419 -5.09067 -3.09125 -8.10653 TIMING: 3181400 CPU: 10047.9, 0.00320334/step Wall: 10047.9, 0.00320334/step, 1.61822 hours remaining, 234.847656 MB of memory in use. ENERGY: 3181400 4024.2068 20470.9853 14399.9277 263.7028 -203827.4130 2820.7371 0.0000 0.0000 52388.4318 -109459.4214 301.0770 -161847.8532 -109085.6623 299.6447 -220.5036 -188.8320 763418.4779 4.3966 4.4318 PRESSURE: 3181600 25.5768 -1.6659 -100.698 -1.6662 -79.0811 7.14299 -100.698 7.14317 -26.9328 GPRESSURE: 3181600 10.2124 29.4089 -58.633 19.9131 2.7404 82.3377 -170.462 -99.3543 -29.345 PRESSAVG: 3181600 43.3277 31.157 -10.5553 31.157 16.3523 35.5781 -10.5552 35.5782 8.43901 GPRESSAVG: 3181600 42.5837 30.3737 -10.1994 29.6788 17.5644 35.263 -12.1412 35.3487 8.04983 TIMING: 3181600 CPU: 10048.5, 0.0032208/step Wall: 10048.5, 0.0032208/step, 1.62686 hours remaining, 234.847656 MB of memory in use. ENERGY: 3181600 4024.0949 20436.1045 14361.1110 248.0372 -202906.7326 2307.6880 0.0000 0.0000 51983.0319 -109546.6650 298.7472 -161529.6969 -109183.3958 299.0406 -26.8124 -5.4641 763037.9786 22.7064 22.7326 PRESSURE: 3181800 79.1288 -44.2464 152.331 -44.2462 -109.56 130.393 152.33 130.393 350.478 GPRESSURE: 3181800 128.144 76.0898 126.045 -74.3909 -54.3081 88.7691 111.54 102.763 332.257 PRESSAVG: 3181800 -23.602 -21.6165 81.6826 -21.6165 56.8693 23.6622 81.6825 23.6622 -3.31563 GPRESSAVG: 3181800 -23.2367 -24.0378 83.3978 -18.8689 56.1658 22.3699 80.7249 25.0486 -2.81439 TIMING: 3181800 CPU: 10049.1, 0.00319844/step Wall: 10049.1, 0.00319844/step, 1.61539 hours remaining, 234.847656 MB of memory in use. ENERGY: 3181800 4033.1694 20534.3815 14471.5627 266.2143 -202978.2032 2338.8308 0.0000 0.0000 51860.1622 -109473.8823 298.0411 -161334.0445 -109111.3425 299.0188 106.6824 135.3645 761512.6911 9.9839 10.0382 PRESSURE: 3182000 -251.62 -115.648 -20.374 -115.648 31.7353 10.8108 -20.3739 10.8103 75.1381 GPRESSURE: 3182000 -207.025 -132.885 27.9191 -154.718 7.86452 -63.5408 57.7524 78.9857 128.152 PRESSAVG: 3182000 -23.0806 34.994 65.1818 34.994 17.8274 80.5035 65.1818 80.5036 -12.0473 GPRESSAVG: 3182000 -23.8031 34.4473 62.773 35.1104 18.3047 79.197 66.5856 79.7884 -12.3197 TIMING: 3182000 CPU: 10049.8, 0.00321197/step Wall: 10049.8, 0.00321197/step, 1.62205 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: 3182000 3971.7404 20559.4622 14347.5966 246.5733 -203471.0645 2732.7890 0.0000 0.0000 52000.5734 -109612.3296 298.8480 -161612.9030 -109252.4131 298.4827 -48.2490 -23.6694 760739.2267 -5.7668 -5.9394 PRESSURE: 3182200 184.599 77.7045 443.778 77.7044 149.88 -141.165 443.777 -141.165 395.081 GPRESSURE: 3182200 273.607 86.3372 282.812 54.2162 72.3679 -148.622 445.093 -37.7014 471.844 PRESSAVG: 3182200 -2.75747 -9.15712 40.7905 -9.15707 -0.611478 68.4565 40.7905 68.4564 17.0808 GPRESSAVG: 3182200 -3.64659 -7.16926 41.1088 -11.0726 -0.298353 69.5691 41.6594 68.8768 17.8918 TIMING: 3182200 CPU: 10050.4, 0.00316854/step Wall: 10050.4, 0.00316854/step, 1.59994 hours remaining, 234.847656 MB of memory in use. ENERGY: 3182200 4001.4894 20601.8734 14339.7010 240.2215 -203662.6256 2943.8047 0.0000 0.0000 52015.2414 -109520.2943 298.9323 -161535.5357 -109159.2320 299.7370 243.1866 272.6062 761130.4322 4.5706 4.6489 PRESSURE: 3182400 -182.192 -50.6388 153.968 -50.639 -128.063 92.8921 153.967 92.8919 5.88737 GPRESSURE: 3182400 -129.94 -19.5617 204.706 -54.9452 -132.278 86.1116 131.243 74.8846 38.2994 PRESSAVG: 3182400 -70.4873 44.2038 36.3267 44.2037 54.6752 45.0905 36.3266 45.0906 -3.41627 GPRESSAVG: 3182400 -69.9191 44.7197 36.7521 44.2442 54.9704 46.4158 35.1607 45.5901 -4.17316 TIMING: 3182400 CPU: 10051, 0.00315434/step Wall: 10051, 0.00315434/step, 1.59259 hours remaining, 234.847656 MB of memory in use. ENERGY: 3182400 3950.8338 20608.3227 14315.7973 244.7614 -203091.5028 2577.7021 0.0000 0.0000 51993.1001 -109400.9853 298.8051 -161394.0854 -109042.6726 299.6957 -101.4558 -74.6396 760955.8752 -6.4095 -6.3739 PRESSURE: 3182600 -149.38 123.164 -54.3929 123.165 109.689 -58.7988 -54.3928 -58.799 66.6801 GPRESSURE: 3182600 -217.227 99.2292 -107.205 154.046 190.331 -156.601 -36.0092 -34.7497 152.43 PRESSAVG: 3182600 -31.2266 27.6057 -0.0673969 27.6057 33.3478 4.89946 -0.0673827 4.89951 4.33404 GPRESSAVG: 3182600 -31.3002 26.423 -0.214884 28.3734 32.8916 3.11186 0.199224 4.79339 4.98486 TIMING: 3182600 CPU: 10051.7, 0.00320367/step Wall: 10051.7, 0.00320367/step, 1.61732 hours remaining, 234.847656 MB of memory in use. ENERGY: 3182600 3985.3401 20462.6489 14358.2602 244.7106 -203173.6901 2683.8623 0.0000 0.0000 52251.7520 -109187.1159 300.2915 -161438.8679 -108815.1083 299.5994 8.9964 41.8446 762975.1492 2.1517 2.1921 PRESSURE: 3182800 -156.868 -197.979 -301.932 -197.979 -579.057 56.6732 -301.931 56.6726 -245.378 GPRESSURE: 3182800 -138.389 -162.628 -328.412 -95.8759 -480.215 71.7295 -301.605 90.462 -279.815 PRESSAVG: 3182800 -51.0108 5.96276 -28.8016 5.96275 -2.79684 -17.0044 -28.8016 -17.0045 -8.4662 GPRESSAVG: 3182800 -50.5854 4.55759 -28.3255 5.28296 -2.11744 -16.1716 -28.5673 -16.3836 -9.66799 TIMING: 3182800 CPU: 10052.3, 0.00322245/step Wall: 10052.3, 0.00322245/step, 1.62662 hours remaining, 234.847656 MB of memory in use. ENERGY: 3182800 4026.4250 20617.7242 14396.8585 232.5645 -203112.1026 2528.4398 0.0000 0.0000 52019.4940 -109290.5967 298.9567 -161310.0907 -108937.5647 299.6950 -327.1013 -299.4729 762355.6268 -20.7579 -20.7903 PRESSURE: 3183000 417.917 43.1115 113.074 43.112 -50.0671 78.096 113.074 78.0967 135.1 GPRESSURE: 3183000 397.219 43.0897 63.2762 48.0267 -2.86138 70.4855 135.891 134.907 206.682 PRESSAVG: 3183000 41.1138 -20.0587 -32.7415 -20.0587 -28.6039 19.71 -32.7415 19.7101 10.9329 GPRESSAVG: 3183000 41.0149 -20.2834 -34.2363 -18.2396 -29.1742 20.1743 -30.9597 18.6645 11.5217 TIMING: 3183000 CPU: 10053, 0.00320518/step Wall: 10053, 0.00320518/step, 1.61773 hours remaining, 234.847656 MB of memory in use. ENERGY: 3183000 4069.2845 20534.6956 14467.6026 265.0670 -203583.9523 3040.2764 0.0000 0.0000 52054.6102 -109152.4161 299.1586 -161207.0263 -108783.2954 299.5346 167.6500 200.3464 763206.7142 7.8143 7.7875 PRESSURE: 3183200 -122.74 -69.6141 -131.311 -69.6154 -198.33 20.7045 -131.312 20.7051 13.5904 GPRESSURE: 3183200 -143.192 -3.36483 -120.522 -86.5382 -50.8295 22.3857 -58.0989 13.9428 -26.066 PRESSAVG: 3183200 40.1973 32.902 -56.3316 32.9021 -19.3379 48.5438 -56.3316 48.5437 11.6417 GPRESSAVG: 3183200 40.4797 34.8848 -56.6642 31.4235 -18.7462 49.021 -59.2498 48.0001 10.4357 TIMING: 3183200 CPU: 10053.6, 0.00320443/step Wall: 10053.6, 0.00320443/step, 1.61717 hours remaining, 234.847656 MB of memory in use. ENERGY: 3183200 4091.3248 20466.3474 14326.3597 260.7400 -203687.0711 2904.8582 0.0000 0.0000 52345.5371 -109291.9038 300.8305 -161637.4409 -108919.0622 300.1372 -102.4931 -73.3626 762337.8433 10.8337 10.7231 PRESSURE: 3183400 -195.694 15.6486 -135.634 15.6492 -32.5144 253.294 -135.633 253.294 196.039 GPRESSURE: 3183400 -164.956 21.2699 -138.697 -47.7313 -12.937 290.235 -128.033 103.093 228.12 PRESSAVG: 3183400 -21.8867 -9.67871 -58.598 -9.67874 6.02227 36.172 -58.598 36.1721 4.57538 GPRESSAVG: 3183400 -22.0028 -10.9305 -57.328 -10.0376 4.75784 36.9871 -55.3742 36.1042 5.65848 TIMING: 3183400 CPU: 10054.2, 0.00319187/step Wall: 10054.2, 0.00319187/step, 1.61065 hours remaining, 235.050781 MB of memory in use. ENERGY: 3183400 3944.3781 20576.5554 14395.7951 235.7789 -203390.6702 2815.7572 0.0000 0.0000 52016.3552 -109406.0503 298.9387 -161422.4055 -109045.8086 299.4773 -10.7233 16.7424 762618.7647 -3.7630 -3.8622 PRESSURE: 3183600 -305.869 228.413 260.546 228.412 83.2257 45.7263 260.546 45.7268 140.892 GPRESSURE: 3183600 -185.288 146.81 190.496 216.773 86.5638 34.9373 36.5054 40.6347 83.4054 PRESSAVG: 3183600 -31.4038 0.800721 0.323303 0.800776 35.2203 27.9672 0.323329 27.9674 -0.866896 GPRESSAVG: 3183600 -30.8966 0.88069 1.38033 1.04556 35.7783 27.3644 -2.30975 28.7537 -1.82233 TIMING: 3183600 CPU: 10054.9, 0.00318663/step Wall: 10054.9, 0.00318663/step, 1.60783 hours remaining, 235.050781 MB of memory in use. ENERGY: 3183600 3997.1243 20544.2041 14292.2933 240.4551 -203123.9660 2565.2006 0.0000 0.0000 52196.2550 -109288.4336 299.9726 -161484.6887 -108924.8737 299.3469 -27.2502 -5.1064 763738.9642 0.9832 1.0198 PRESSURE: 3183800 -463.737 -125.107 -237.435 -125.107 -534.657 105.871 -237.435 105.872 -103.181 GPRESSURE: 3183800 -446.191 -97.9074 -195.155 -81.3346 -487.772 100.971 -210.35 102.851 -56.3562 PRESSAVG: 3183800 -0.327376 22.6209 -22.5565 22.6209 -7.37076 31.8865 -22.5565 31.8866 -2.4134 GPRESSAVG: 3183800 -0.506041 24.3084 -22.9178 22.4782 -7.71203 32.1267 -22.6559 32.3089 -1.80066 TIMING: 3183800 CPU: 10055.5, 0.00317244/step Wall: 10055.5, 0.00317244/step, 1.60049 hours remaining, 235.050781 MB of memory in use. ENERGY: 3183800 4034.2897 20623.4424 14359.0381 249.7515 -202739.5435 2232.8399 0.0000 0.0000 51789.9508 -109450.2311 297.6376 -161240.1819 -109086.2501 299.4380 -367.1916 -330.1062 763262.1070 -3.3705 -3.3396 PRESSURE: 3184000 -188.032 -81.7631 -120.172 -81.7637 132.319 182.939 -120.171 182.939 -197.986 GPRESSURE: 3184000 -174.112 -12.1002 -67.9854 -14.3671 202.492 169.183 -47.1144 96.8898 -218.519 PRESSAVG: 3184000 -24.5646 12.5117 -61.1725 12.5117 37.792 45.9936 -61.1725 45.9936 21.5864 GPRESSAVG: 3184000 -24.1231 12.187 -61.4129 13.1289 39.0587 43.2917 -60.7287 46.2794 20.0829 TIMING: 3184000 CPU: 10056.1, 0.00312965/step Wall: 10056.1, 0.00312965/step, 1.57874 hours remaining, 235.050781 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: 3184000 4018.6012 20582.9479 14412.2254 248.9592 -203549.6634 2843.5399 0.0000 0.0000 51926.8879 -109516.5021 298.4245 -161443.3900 -109159.4797 299.0812 -84.5663 -63.3795 760781.9924 11.6046 11.6728 PRESSURE: 3184200 -252.641 -99.7439 -127.493 -99.744 59.083 57.8928 -127.494 57.8927 161.051 GPRESSURE: 3184200 -188.984 -45.3087 -168.959 34.4791 51.178 30.0881 -41.4761 10.8904 188.539 PRESSAVG: 3184200 -35.6766 -12.7462 -3.8685 -12.7461 11.1079 51.595 -3.86844 51.5951 -21.6121 GPRESSAVG: 3184200 -36.1422 -13.2942 -3.19018 -15.1809 10.3338 55.0434 -4.17448 50.7458 -20.4269 TIMING: 3184200 CPU: 10056.8, 0.00313871/step Wall: 10056.8, 0.00313871/step, 1.58313 hours remaining, 235.050781 MB of memory in use. ENERGY: 3184200 4005.1164 20433.2880 14342.7741 258.8234 -203606.2440 2990.4613 0.0000 0.0000 51796.0910 -109779.6898 297.6728 -161575.7808 -109421.8326 298.5091 -10.8357 16.9110 761845.3570 -15.3936 -15.4118 LDB: ============= START OF LOAD BALANCING ============== 10069.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10069.3 LDB: =============== DONE WITH MIGRATION ================ 10069.3 LDB: ============= START OF LOAD BALANCING ============== 10069.6 LDB: Largest compute 7076 load 0.032186 is 16.4% of average load 0.195738 LDB: Average compute 0.004362 is 2.2% of average load 0.195738 LDB: TIME 10069.6 LOAD: AVG 0.195738 MAX 0.213801 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.668 MB LDB: TIME 10069.6 LOAD: AVG 0.195738 MAX 0.213801 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: TIME 10069.6 LOAD: AVG 0.195738 MAX 0.213801 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.875 MB LDB: ============== END OF LOAD BALANCING =============== 10069.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10069.6 PRESSURE: 3184400 -295.452 -158.494 134.229 -158.494 -293.193 44.0979 134.229 44.0982 -279.134 GPRESSURE: 3184400 -253.696 -62.0089 105.148 -163.751 -228.349 50.6152 51.466 35.0214 -299.149 PRESSAVG: 3184400 7.51936 7.46522 -6.16172 7.46533 -30.4217 42.0204 -6.16171 42.0204 0.0651618 GPRESSAVG: 3184400 7.95078 7.70173 -7.52501 7.91119 -30.6395 40.0903 -6.05879 41.1933 0.398442 TIMING: 3184400 CPU: 10057.4, 0.00325334/step Wall: 10057.4, 0.00325334/step, 1.64077 hours remaining, 235.675781 MB of memory in use. ENERGY: 3184400 4098.6940 20413.5334 14321.3178 247.6302 -203179.6059 2460.5261 0.0000 0.0000 52033.9469 -109603.9575 299.0398 -161637.9044 -109250.8344 298.6890 -289.2595 -260.3979 762159.6142 -7.6124 -7.4301 PRESSURE: 3184600 -237.953 174.487 156.684 174.487 -106.049 173.132 156.684 173.132 -183.438 GPRESSURE: 3184600 -246.464 178.38 205.86 34.5114 -71.5731 96.6799 39.1164 188.639 -138.32 PRESSAVG: 3184600 7.27 -11.3602 -3.49847 -11.3603 19.1597 24.4739 -3.49854 24.4739 1.76734 GPRESSAVG: 3184600 7.45131 -11.8876 -1.84227 -10.2591 18.6153 24.5204 -4.90285 25.4695 1.31721 TIMING: 3184600 CPU: 10058.1, 0.00318156/step Wall: 10058.1, 0.00318156/step, 1.60439 hours remaining, 235.746094 MB of memory in use. ENERGY: 3184600 3972.8877 20623.2395 14367.7502 228.1649 -203320.1063 2445.6960 0.0000 0.0000 51965.6636 -109716.7045 298.6474 -161682.3681 -109353.3515 298.8096 -175.8135 -152.1190 763115.3393 9.3990 9.1279 PRESSURE: 3184800 -171.441 -155.912 -211.718 -155.911 83.421 -92.5838 -211.718 -92.5833 63.0698 GPRESSURE: 3184800 -102.934 -111.579 -288.114 -46.1515 141.682 -126.079 -76.0909 109.897 31.9546 PRESSAVG: 3184800 22.7939 -21.2096 -39.3218 -21.2096 10.7256 46.9889 -39.3219 46.989 8.36575 GPRESSAVG: 3184800 22.474 -23.1915 -40.4286 -18.0251 11.0871 46.2069 -38.4161 48.2968 8.05693 TIMING: 3184800 CPU: 10058.7, 0.0031611/step Wall: 10058.7, 0.0031611/step, 1.5939 hours remaining, 235.746094 MB of memory in use. ENERGY: 3184800 3943.9720 20445.5300 14307.5557 223.2516 -203294.6975 2793.6106 0.0000 0.0000 51815.3389 -109765.4386 297.7835 -161580.7776 -109414.0815 298.4910 -8.3166 23.5677 762487.6585 13.9618 13.8727 PRESSURE: 3185000 364.048 -112.224 123.004 -112.224 268.201 -115.585 123.003 -115.585 24.201 GPRESSURE: 3185000 453.77 -54.1846 57.5196 -66.0792 226.63 -71.0509 116.472 -150.699 64.6617 PRESSAVG: 3185000 33.8305 -52.6292 -12.2472 -52.6291 8.97583 48.9796 -12.2473 48.9796 11.9223 GPRESSAVG: 3185000 33.6421 -48.7882 -12.8427 -53.892 8.79295 49.5568 -9.84529 48.2415 12.1306 TIMING: 3185000 CPU: 10059.3, 0.00314968/step Wall: 10059.3, 0.00314968/step, 1.58797 hours remaining, 235.746094 MB of memory in use. ENERGY: 3185000 3968.4663 20387.4008 14374.4036 232.5109 -203675.7219 2959.7758 0.0000 0.0000 52026.2219 -109726.9427 298.9954 -161753.1645 -109369.8439 298.6814 218.8166 248.3540 761645.7880 18.2429 18.1886 PRESSURE: 3185200 -211.73 -14.0066 -145.306 -14.0064 79.503 123.204 -145.307 123.203 215.916 GPRESSURE: 3185200 -14.8975 -55.788 -181.175 0.440003 9.40476 73.4649 -184.619 101.848 176.604 PRESSAVG: 3185200 13.5368 -28.802 -46.7377 -28.802 9.41977 19.575 -46.7377 19.5751 8.76394 GPRESSAVG: 3185200 14.5065 -31.9777 -45.4036 -29.045 8.80192 21.6837 -48.3577 17.5221 8.59058 TIMING: 3185200 CPU: 10060, 0.00315822/step Wall: 10060, 0.00315822/step, 1.59209 hours remaining, 235.746094 MB of memory in use. ENERGY: 3185200 4053.0478 20423.6651 14269.0733 220.1727 -203337.9989 2790.7902 0.0000 0.0000 52229.8510 -109351.3989 300.1657 -161581.2499 -108988.2447 299.3766 27.8963 57.0371 761374.1695 10.5735 10.6330 PRESSURE: 3185400 -100.859 -37.0222 192.284 -37.0216 -16.7449 12.265 192.283 12.2652 201.333 GPRESSURE: 3185400 -97.2694 51.1636 88.9946 -82.4615 -26.187 -56.0536 243.423 106.184 283.69 PRESSAVG: 3185400 -17.6797 -52.2246 -4.00767 -52.2246 7.13532 3.53609 -4.00772 3.53605 18.0302 GPRESSAVG: 3185400 -17.671 -52.1337 -4.39739 -51.5486 6.49772 2.18074 -4.7448 6.6834 18.505 TIMING: 3185400 CPU: 10060.6, 0.00315545/step Wall: 10060.6, 0.00315545/step, 1.59052 hours remaining, 235.746094 MB of memory in use. ENERGY: 3185400 3949.5413 20413.3303 14305.3108 257.9275 -202788.8339 2311.1005 0.0000 0.0000 52113.9132 -109437.7102 299.4994 -161551.6234 -109075.5614 299.4065 27.9095 53.4113 762861.9471 2.4953 2.4439 PRESSURE: 3185600 -91.6672 -93.7544 -57.5854 -93.7549 -79.5431 115.341 -57.5856 115.342 -46.7721 GPRESSURE: 3185600 -76.2817 -74.5877 -48.2851 -193.456 -9.63931 66.4573 26.1964 -17.7699 -55.877 PRESSAVG: 3185600 47.4048 7.6964 16.5161 7.69636 -25.818 4.03016 16.5161 4.03024 16.7589 GPRESSAVG: 3185600 45.8596 7.11079 15.7757 6.34481 -23.6586 3.96732 17.8644 1.62908 16.0788 TIMING: 3185600 CPU: 10061.2, 0.00316224/step Wall: 10061.2, 0.00316224/step, 1.59377 hours remaining, 235.746094 MB of memory in use. ENERGY: 3185600 4032.1705 20477.5744 14345.9837 242.2408 -203198.5927 2486.4246 0.0000 0.0000 52119.7452 -109494.4536 299.5329 -161614.1988 -109138.9230 299.0704 -72.6608 -47.2660 761186.0091 12.7819 12.7599 PRESSURE: 3185800 50.8851 0.511152 -6.84787 0.510581 61.838 -57.6559 -6.84872 -57.6561 12.6961 GPRESSURE: 3185800 108.463 -40.9452 -129.458 -22.3068 59.1211 -96.7052 -156.062 -67.1538 44.5572 PRESSAVG: 3185800 46.2727 -52.2328 17.0068 -52.2329 -49.0027 17.7711 17.0069 17.7711 -12.7055 GPRESSAVG: 3185800 47.2996 -51.5575 17.1872 -51.6655 -50.8174 18.8508 15.6668 18.0957 -12.1523 TIMING: 3185800 CPU: 10061.8, 0.00315521/step Wall: 10061.8, 0.00315521/step, 1.59005 hours remaining, 235.746094 MB of memory in use. ENERGY: 3185800 3955.4247 20527.7242 14316.8241 224.3598 -203442.5656 2577.6272 0.0000 0.0000 52266.2810 -109574.3245 300.3750 -161840.6055 -109207.4811 298.7907 41.8064 70.7137 761673.9503 -5.1451 -5.2234 PRESSURE: 3186000 -68.1486 -7.09947 281.347 -7.09877 -30.3933 55.6291 281.346 55.628 72.1474 GPRESSURE: 3186000 -138.117 63.4688 265.54 -46.0991 44.9202 47.8737 334.843 -124.144 136.09 PRESSAVG: 3186000 9.40067 -1.3925 9.04661 -1.39252 -23.331 40.0531 9.04659 40.0531 -11.7719 GPRESSAVG: 3186000 9.22011 -2.65516 8.14479 -1.62267 -22.6571 39.2122 10.6609 39.6002 -12.2405 TIMING: 3186000 CPU: 10062.5, 0.00315472/step Wall: 10062.5, 0.00315472/step, 1.58963 hours remaining, 235.746094 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: 3186000 4032.3994 20596.6641 14364.3563 233.2234 -203309.9473 2472.3248 0.0000 0.0000 52050.3909 -109560.5885 299.1343 -161610.9794 -109203.1100 299.0263 -8.7982 14.2977 761820.7723 -8.5674 -8.5592 PRESSURE: 3186200 -233.854 -51.625 3.22387 -51.6251 221.347 -221.363 3.22386 -221.363 352.37 GPRESSURE: 3186200 -85.3439 20.3312 -3.85469 1.48825 175.697 -129.316 -32.7592 -168.082 341.565 PRESSAVG: 3186200 -4.82056 -20.307 -19.543 -20.307 31.6806 27.866 -19.5431 27.866 0.907774 GPRESSAVG: 3186200 -5.64891 -19.2272 -18.4533 -19.1013 30.658 28.3277 -20.5647 28.1857 2.68312 TIMING: 3186200 CPU: 10063.1, 0.00314104/step Wall: 10063.1, 0.00314104/step, 1.58256 hours remaining, 235.746094 MB of memory in use. ENERGY: 3186200 3980.5269 20456.1847 14437.3556 214.2944 -203663.6973 2884.6471 0.0000 0.0000 52194.1403 -109496.5482 299.9604 -161690.6885 -109124.3313 298.7714 113.2874 143.9730 760411.6966 9.2559 9.2307 PRESSURE: 3186400 -89.8637 -54.4967 -95.944 -54.4961 59.3033 -20.7951 -95.943 -20.7939 -16.9322 GPRESSURE: 3186400 5.59272 15.8116 -44.5274 -95.4668 167.099 -34.1854 -6.37494 -53.3314 -118.737 PRESSAVG: 3186400 -11.0796 -60.0389 25.0789 -60.039 -32.178 -8.80262 25.0789 -8.80264 9.89925 GPRESSAVG: 3186400 -9.46329 -58.9511 26.1613 -58.9387 -32.4888 -8.54032 25.0047 -9.7767 8.51369 TIMING: 3186400 CPU: 10063.7, 0.00315344/step Wall: 10063.7, 0.00315344/step, 1.58863 hours remaining, 235.746094 MB of memory in use. ENERGY: 3186400 4027.0062 20345.1802 14397.4196 265.7381 -203693.1202 2917.4916 0.0000 0.0000 52230.5772 -109509.7072 300.1698 -161740.2844 -109146.9158 299.4522 -15.8309 17.9849 761651.6891 -11.1194 -11.1461 PRESSURE: 3186600 -249.705 30.2511 -7.01833 30.2507 -264.539 -94.9512 -7.01814 -94.9507 -113.841 GPRESSURE: 3186600 -162.153 -15.9731 68.7423 71.7547 -247.421 -122.799 -186.371 -97.222 -102.804 PRESSAVG: 3186600 25.0653 -42.2849 -10.1789 -42.285 4.4343 2.39008 -10.1789 2.39002 1.69527 GPRESSAVG: 3186600 23.5709 -43.1051 -12.2659 -43.8594 4.84677 1.25765 -8.2847 2.82094 2.53194 TIMING: 3186600 CPU: 10064.4, 0.00317727/step Wall: 10064.4, 0.00317727/step, 1.60046 hours remaining, 235.746094 MB of memory in use. ENERGY: 3186600 4083.0348 20563.0493 14388.3547 230.4365 -203208.9812 2591.9381 0.0000 0.0000 52084.6008 -109267.5668 299.3309 -161352.1676 -108903.0204 299.6032 -209.3619 -170.7924 761596.4650 10.3983 10.3165 PRESSURE: 3186800 -23.7309 -16.7735 116.348 -16.7745 148.998 -33.1561 116.348 -33.1567 -392.477 GPRESSURE: 3186800 7.51151 -103.241 173.761 101.033 137.676 18.683 53.9231 -80.0519 -330.591 PRESSAVG: 3186800 19.0605 -35.6705 31.2962 -35.6705 -8.43775 -7.99866 31.2962 -7.99864 27.3493 GPRESSAVG: 3186800 17.8817 -36.2023 32.6748 -33.4442 -7.84879 -6.02104 28.3983 -5.85257 26.9479 TIMING: 3186800 CPU: 10065, 0.00316148/step Wall: 10065, 0.00316148/step, 1.59233 hours remaining, 235.746094 MB of memory in use. ENERGY: 3186800 3975.3575 20493.7913 14443.6063 253.6901 -202879.7054 2474.9772 0.0000 0.0000 52298.7356 -108939.5474 300.5616 -161238.2830 -108579.6316 300.1467 -89.0701 -61.8012 763334.5635 12.6574 12.3269 PRESSURE: 3187000 -103.962 -30.7037 -205.688 -30.7037 -252.053 100.775 -205.687 100.775 29.716 GPRESSURE: 3187000 -95.764 -24.9668 -246.005 12.7549 -256.601 57.6355 -251.054 49.8433 94.0725 PRESSAVG: 3187000 47.9533 -69.3829 90.6585 -69.3829 -45.3193 7.29736 90.6585 7.29739 3.60021 GPRESSAVG: 3187000 48.1904 -67.5781 90.9489 -72.8056 -45.486 5.41214 92.147 6.38139 2.50436 TIMING: 3187000 CPU: 10065.6, 0.00314228/step Wall: 10065.6, 0.00314228/step, 1.58249 hours remaining, 235.746094 MB of memory in use. ENERGY: 3187000 4036.4491 20593.9911 14349.2657 241.9540 -203512.2261 2790.8642 0.0000 0.0000 52422.3964 -109077.3057 301.2722 -161499.7021 -108708.0042 300.3063 -108.7661 -86.0974 762516.8312 2.0781 1.7362 PRESSURE: 3187200 131.927 6.67243 205.643 6.67268 -408.832 -179.125 205.642 -179.126 -276.746 GPRESSURE: 3187200 143.434 -17.5396 237.56 34.2642 -369.817 -177.418 100.121 -52.1729 -251.293 PRESSAVG: 3187200 78.221 -73.163 95.2488 -73.163 -39.4457 -35.9659 95.2488 -35.966 35.1813 GPRESSAVG: 3187200 78.8485 -74.1522 94.2901 -70.8202 -40.4728 -35.0411 93.6992 -37.2711 34.9721 TIMING: 3187200 CPU: 10066.3, 0.00313938/step Wall: 10066.3, 0.00313938/step, 1.58085 hours remaining, 235.746094 MB of memory in use. ENERGY: 3187200 3990.8081 20519.6262 14402.4667 227.1431 -203130.2500 2815.5822 0.0000 0.0000 51954.7576 -109219.8660 298.5847 -161174.6236 -108857.9194 300.4920 -184.5506 -159.2255 763392.3842 24.6522 24.4493 PRESSURE: 3187400 -82.2509 124.394 -39.9504 124.394 -92.8548 -150.14 -39.951 -150.14 -243.355 GPRESSURE: 3187400 -97.6773 129.906 -14.5488 71.7113 -33.0643 -117.229 -83.673 -173.441 -194.002 PRESSAVG: 3187400 11.0818 21.7492 -6.68203 21.7492 -20.034 16.8086 -6.68214 16.8086 14.0406 GPRESSAVG: 3187400 11.251 22.0026 -6.77424 20.2285 -21.2461 16.7252 -6.53194 16.8877 14.1601 TIMING: 3187400 CPU: 10066.9, 0.00314654/step Wall: 10066.9, 0.00314654/step, 1.58428 hours remaining, 235.746094 MB of memory in use. ENERGY: 3187400 3964.7849 20481.8563 14398.7028 222.2785 -202941.0177 2585.2802 0.0000 0.0000 51998.7747 -109289.3402 298.8377 -161288.1150 -108928.4711 299.7044 -139.4869 -108.2479 763013.9635 1.6961 1.3883 PRESSURE: 3187600 321.127 39.3589 155.021 39.3577 -171.357 -4.97022 155.02 -4.97099 32.6576 GPRESSURE: 3187600 313.142 8.92267 117.174 -69.2368 -117.869 2.79114 121.303 -74.4615 88.7124 PRESSAVG: 3187600 38.4982 -28.177 -31.3244 -28.177 -23.8336 39.0332 -31.3244 39.0332 -25.7733 GPRESSAVG: 3187600 37.5655 -28.8659 -31.1921 -29.0602 -22.9513 39.2227 -31.4477 41.1213 -25.8723 TIMING: 3187600 CPU: 10067.5, 0.00314656/step Wall: 10067.5, 0.00314656/step, 1.58412 hours remaining, 235.746094 MB of memory in use. ENERGY: 3187600 4029.6608 20475.4969 14373.6088 249.9980 -203296.1190 2815.1669 0.0000 0.0000 52105.8062 -109246.3813 299.4528 -161352.1875 -108892.8583 299.3853 60.8091 94.6615 763358.0468 -3.7029 -3.7527 PRESSURE: 3187800 -123.483 -4.12936 -18.7182 -4.12963 146.67 67.6818 -18.7191 67.6805 415.551 GPRESSURE: 3187800 3.02736 -29.0644 50.989 68.1634 92.7616 100.003 50.6801 -26.2442 427.145 PRESSAVG: 3187800 43.2383 -46.0945 -42.8588 -46.0945 -76.5452 -27.8443 -42.8588 -27.8443 3.97628 GPRESSAVG: 3187800 42.2342 -45.7629 -40.5022 -45.4113 -76.0399 -29.7885 -41.4256 -27.8914 4.42203 TIMING: 3187800 CPU: 10068.1, 0.00314554/step Wall: 10068.1, 0.00314554/step, 1.58343 hours remaining, 235.746094 MB of memory in use. ENERGY: 3187800 3956.3025 20497.9004 14364.6224 256.4153 -203236.0090 2662.8469 0.0000 0.0000 52324.3201 -109173.6013 300.7086 -161497.9214 -108819.3493 299.3947 146.2457 174.3112 764252.4682 -9.7769 -9.7945 PRESSURE: 3188000 -117.657 41.3463 190.601 41.3457 -92.6525 29.6517 190.602 29.6523 -37.4899 GPRESSURE: 3188000 -51.4059 -9.80858 216.646 -20.0071 -127.448 -21.5872 40.9277 120.581 4.20621 PRESSAVG: 3188000 34.1988 -18.8911 49.7759 -18.8911 -26.9506 14.8294 49.776 14.8293 -25.8384 GPRESSAVG: 3188000 35.2618 -19.245 46.7277 -16.2426 -28.4834 17.5907 50.9728 12.6523 -25.5084 TIMING: 3188000 CPU: 10068.8, 0.00315096/step Wall: 10068.8, 0.00315096/step, 1.58598 hours remaining, 235.746094 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: 3188000 4109.7171 20385.7816 14308.2162 258.2675 -203343.6191 2791.3385 0.0000 0.0000 52291.8356 -109198.4627 300.5219 -161490.2982 -108839.3351 299.6821 -82.5998 -58.2159 763980.5858 -6.1967 -6.2433 PRESSURE: 3188200 -142.3 -88.1527 -49.9108 -88.1521 -153.82 -77.6373 -49.9108 -77.6381 -285.443 GPRESSURE: 3188200 -146.375 -103.836 2.19457 -13.7775 -93.3768 -39.7168 -88.8087 -81.6533 -229.788 PRESSAVG: 3188200 -17.2309 -27.5831 30.2683 -27.5831 5.16349 -51.2896 30.2683 -51.2896 6.65326 GPRESSAVG: 3188200 -17.2112 -26.7052 32.5511 -30.2542 5.75175 -51.988 27.0553 -50.2015 6.35002 TIMING: 3188200 CPU: 10069.4, 0.00315566/step Wall: 10069.4, 0.00315566/step, 1.58817 hours remaining, 235.746094 MB of memory in use. ENERGY: 3188200 3971.1246 20620.3603 14361.6599 243.2420 -203075.8571 2462.9025 0.0000 0.0000 51961.1928 -109455.3751 298.6217 -161416.5679 -109094.3053 299.0231 -193.8543 -156.5134 763036.7930 -1.8047 -1.7031 LDB: ============= START OF LOAD BALANCING ============== 10081.9 LDB: ============== END OF LOAD BALANCING =============== 10081.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10081.9 LDB: ============= START OF LOAD BALANCING ============== 10082.3 LDB: Largest compute 7076 load 0.033150 is 16.9% of average load 0.195683 LDB: Average compute 0.004361 is 2.2% of average load 0.195683 LDB: TIME 10082.3 LOAD: AVG 0.195683 MAX 0.216463 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.504 MB LDB: TIME 10082.3 LOAD: AVG 0.195683 MAX 0.216463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.582 MB LDB: TIME 10082.3 LOAD: AVG 0.195683 MAX 0.216463 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.582 MB LDB: ============== END OF LOAD BALANCING =============== 10082.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10082.3 PRESSURE: 3188400 -217.576 2.83346 17.5987 2.83317 -207.047 -180.282 17.5987 -180.28 90.6739 GPRESSURE: 3188400 -175.776 84.545 -38.8743 -60.3335 -202.052 -182.309 119.618 -46.0966 119.851 PRESSAVG: 3188400 36.041 -34.5014 -54.6405 -34.5015 -0.698006 -54.6745 -54.6405 -54.6744 41.6801 GPRESSAVG: 3188400 36.8134 -34.6255 -55.0297 -34.3739 -1.29137 -54.4481 -51.8231 -55.3683 41.7544 TIMING: 3188400 CPU: 10070.1, 0.00322514/step Wall: 10070.1, 0.00322514/step, 1.62296 hours remaining, 235.394531 MB of memory in use. ENERGY: 3188400 4031.4533 20482.3275 14439.6408 270.0252 -203190.0977 2583.0647 0.0000 0.0000 51905.0070 -109478.5793 298.2988 -161383.5863 -109113.2566 298.8475 -111.3166 -85.9924 763300.9521 25.6744 25.7588 PRESSURE: 3188600 -525.345 -148.365 -175.617 -148.366 -228.503 317.264 -175.617 317.265 268.304 GPRESSURE: 3188600 -508.74 -64.9674 -101.573 -182.55 -141.249 278.751 -214.639 132.128 234.791 PRESSAVG: 3188600 -23.6565 -1.39045 -37.4139 -1.39045 -2.73751 -39.5189 -37.4138 -39.5189 -17.3069 GPRESSAVG: 3188600 -24.4003 -1.4407 -38.4473 0.648437 -1.63073 -40.8513 -38.3736 -39.4078 -18.1253 TIMING: 3188600 CPU: 10070.7, 0.00314632/step Wall: 10070.7, 0.00314632/step, 1.58312 hours remaining, 235.585938 MB of memory in use. ENERGY: 3188600 4049.8662 20599.0968 14389.3147 236.0084 -203361.0534 2597.1912 0.0000 0.0000 52006.1975 -109483.3786 298.8803 -161489.5761 -109110.8293 298.8021 -161.8480 -138.3995 762054.7223 -14.5670 -14.7188 PRESSURE: 3188800 -22.8185 109.788 -106.272 109.787 -256.295 125.058 -106.272 125.059 -47.6605 GPRESSURE: 3188800 -17.6509 35.3017 -91.4981 -60.2027 -187.254 166.065 -138.948 81.0334 -48.784 PRESSAVG: 3188800 -39.6321 -61.2553 -10.3783 -61.2553 39.5118 6.59654 -10.3783 6.59663 28.8589 GPRESSAVG: 3188800 -39.6611 -59.4093 -10.6405 -64.633 38.1567 7.86931 -11.1354 8.97057 30.7946 TIMING: 3188800 CPU: 10071.3, 0.00313847/step Wall: 10071.3, 0.00313847/step, 1.579 hours remaining, 235.585938 MB of memory in use. ENERGY: 3188800 3951.4624 20536.0632 14332.1038 236.8541 -203085.2679 2401.3633 0.0000 0.0000 52292.4462 -109334.9749 300.5254 -161627.4211 -108968.4934 299.4437 -108.9245 -84.5630 762652.1191 9.5795 9.7634 PRESSURE: 3189000 -19.7127 66.6841 -149.739 66.6838 -59.0673 114.987 -149.739 114.986 130.039 GPRESSURE: 3189000 -59.7844 21.8312 -91.9021 120.927 74.5977 87.2463 -18.4101 143.138 125.556 PRESSAVG: 3189000 -3.26112 7.06558 -29.7247 7.06564 48.9316 -17.3925 -29.7247 -17.3925 5.75473 GPRESSAVG: 3189000 -3.76862 6.00979 -28.5741 9.04347 50.6106 -17.431 -29.3787 -20.915 4.85923 TIMING: 3189000 CPU: 10071.9, 0.00313451/step Wall: 10071.9, 0.00313451/step, 1.57684 hours remaining, 235.667969 MB of memory in use. ENERGY: 3189000 3963.5568 20601.7499 14403.4027 262.6168 -203460.1605 2781.8524 0.0000 0.0000 52222.8676 -109224.1142 300.1255 -161446.9818 -108859.8405 299.6750 17.0864 46.7898 761352.3529 17.1417 17.2337 PRESSURE: 3189200 -71.9797 5.08182 -243.936 5.08171 -53.6541 -120.917 -243.936 -120.917 -15.2916 GPRESSURE: 3189200 11.6815 -59.6576 -167.564 44.1319 -73.1996 -234.682 -347.947 -24.5397 8.85101 PRESSAVG: 3189200 10.9909 10.7542 -30.463 10.7542 -8.65425 -5.28162 -30.463 -5.28161 -10.1085 GPRESSAVG: 3189200 10.5084 10.4356 -29.9865 10.8341 -8.95148 -7.11516 -30.7151 -1.96039 -9.74962 TIMING: 3189200 CPU: 10072.6, 0.00312371/step Wall: 10072.6, 0.00312371/step, 1.57123 hours remaining, 235.667969 MB of memory in use. ENERGY: 3189200 4011.7394 20402.6710 14450.8557 248.2943 -203252.3049 2637.1299 0.0000 0.0000 52144.2502 -109357.3644 299.6737 -161501.6146 -109003.5688 299.2970 -46.9752 -17.5557 762374.8959 -2.5906 -2.7309 PRESSURE: 3189400 -66.201 40.5638 77.0509 40.5647 -129.369 37.7849 77.0509 37.786 -450.992 GPRESSURE: 3189400 -68.7656 148.345 116.016 12.7265 -58.7637 -48.1896 36.5473 3.94475 -424.58 PRESSAVG: 3189400 -16.5794 -19.6192 60.0272 -19.6192 14.4845 21.8289 60.0271 21.829 8.31621 GPRESSAVG: 3189400 -15.8154 -18.4699 59.5431 -18.0794 14.3991 24.0785 60.0289 20.9707 7.626 TIMING: 3189400 CPU: 10073.2, 0.00314004/step Wall: 10073.2, 0.00314004/step, 1.57927 hours remaining, 235.667969 MB of memory in use. ENERGY: 3189400 3975.4786 20570.7286 14389.9026 241.2846 -202642.5858 2120.5447 0.0000 0.0000 52110.7595 -109233.8872 299.4813 -161344.6466 -108868.9688 299.6322 -215.5206 -184.0363 762448.3400 2.0738 2.0699 PRESSURE: 3189600 -149.567 -122.889 -5.0506 -122.888 142.882 -103.517 -5.05016 -103.516 96.3687 GPRESSURE: 3189600 -72.0195 -123.636 3.11544 -120.64 160.816 -28.2179 78.6688 -76.2381 83.7453 PRESSAVG: 3189600 -38.5449 20.756 -53.8609 20.7559 65.7473 -9.77436 -53.8609 -9.77431 -4.32259 GPRESSAVG: 3189600 -38.7851 21.7097 -53.8989 18.2115 66.3821 -9.71693 -52.8636 -11.3769 -4.64011 TIMING: 3189600 CPU: 10073.8, 0.00313447/step Wall: 10073.8, 0.00313447/step, 1.57629 hours remaining, 235.667969 MB of memory in use. ENERGY: 3189600 3936.8225 20365.5948 14424.6493 251.3858 -203330.7477 2646.4003 0.0000 0.0000 52218.2448 -109487.6502 300.0990 -161705.8950 -109122.4128 299.6107 29.8945 57.5140 761581.8407 7.6266 7.6523 PRESSURE: 3189800 15.5449 -51.1976 -43.8582 -51.1979 -41.9942 139.497 -43.857 139.498 68.3331 GPRESSURE: 3189800 98.0469 7.2984 -4.6535 -48.4884 -41.2755 91.7004 -77.0318 218.024 75.6582 PRESSAVG: 3189800 17.9567 -36.6664 -18.1408 -36.6664 7.83246 -1.22014 -18.1408 -1.22014 -30.7655 GPRESSAVG: 3189800 17.6211 -38.4676 -18.678 -35.205 7.59481 -2.29146 -17.5756 1.19701 -29.4267 TIMING: 3189800 CPU: 10074.5, 0.00315494/step Wall: 10074.5, 0.00315494/step, 1.58641 hours remaining, 235.667969 MB of memory in use. ENERGY: 3189800 4002.8814 20456.0702 14358.9091 237.2596 -203180.8733 2808.5825 0.0000 0.0000 51814.3749 -109502.7955 297.7779 -161317.1705 -109136.7475 298.9579 13.9612 44.1432 761967.6900 -1.6588 -1.4036 PRESSURE: 3190000 -151.358 250.404 54.5707 250.403 113.189 155.876 54.5709 155.876 -33.6118 GPRESSURE: 3190000 -86.0992 250.754 -41.4828 154.276 190.555 129.829 56.5032 12.424 -80.3164 PRESSAVG: 3190000 5.37592 19.617 0.687081 19.617 -13.0713 -20.2132 0.687105 -20.2132 6.69687 GPRESSAVG: 3190000 6.80838 21.3429 1.19801 18.144 -13.8201 -19.1994 -0.329119 -21.3355 6.52377 TIMING: 3190000 CPU: 10075.1, 0.0031804/step Wall: 10075.1, 0.0031804/step, 1.59903 hours remaining, 235.667969 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: 3190000 3943.0986 20554.6367 14440.1924 265.5208 -203303.5113 2546.5867 0.0000 0.0000 52075.9481 -109477.5279 299.2812 -161553.4760 -109119.8205 298.9948 -23.9272 8.0464 760925.1583 -0.3328 -0.1626 PRESSURE: 3190200 -72.3954 -27.5116 -89.2562 -27.5121 173.271 -73.7188 -89.2557 -73.7193 289.029 GPRESSURE: 3190200 -5.35733 81.255 -67.1226 -61.8705 181.16 -59.2967 -78.0416 -47.481 291.641 PRESSAVG: 3190200 35.2559 35.4072 -14.8367 35.4073 -18.3978 -37.0992 -14.8366 -37.0993 8.3003 GPRESSAVG: 3190200 34.8331 34.8067 -14.0125 36.789 -18.0629 -37.6518 -14.7517 -37.1824 8.68089 TIMING: 3190200 CPU: 10075.7, 0.00317991/step Wall: 10075.7, 0.00317991/step, 1.59861 hours remaining, 235.667969 MB of memory in use. ENERGY: 3190200 3995.2691 20549.0069 14351.8993 248.7086 -203115.4485 2393.9461 0.0000 0.0000 52167.6485 -109408.9702 299.8082 -161576.6186 -109041.3579 299.5144 129.9682 155.8144 761376.4627 8.3861 8.4837 PRESSURE: 3190400 -25.563 -61.0209 -109.721 -61.0202 25.211 -163.112 -109.72 -163.112 -369.218 GPRESSURE: 3190400 0.0898481 -52.5553 -168.994 -170.995 -4.47756 -125.242 14.2741 -143.789 -280.64 PRESSAVG: 3190400 -0.505176 22.7393 32.7436 22.7394 37.8289 25.5842 32.7436 25.5842 11.8162 GPRESSAVG: 3190400 -0.641594 22.1651 31.4727 20.5273 37.7461 24.8877 33.2856 24.8604 12.7798 TIMING: 3190400 CPU: 10076.4, 0.00317625/step Wall: 10076.4, 0.00317625/step, 1.5966 hours remaining, 235.667969 MB of memory in use. ENERGY: 3190400 4035.4740 20465.5519 14397.0154 230.7105 -203223.1023 2451.8462 0.0000 0.0000 52217.3559 -109425.1484 300.0939 -161642.5043 -109054.6548 299.6283 -123.1900 -95.0092 762737.9692 16.3800 16.6281 PRESSURE: 3190600 310.517 198.016 -22.4014 198.014 -51.2469 -1.47788 -22.4009 -1.47774 -363.093 GPRESSURE: 3190600 295.139 201.785 31.8137 142.764 65.8295 37.4852 -12.9833 142.694 -394.433 PRESSAVG: 3190600 -65.8012 -8.15083 -15.7352 -8.15084 44.5569 -22.4724 -15.7351 -22.4723 14.1417 GPRESSAVG: 3190600 -65.9828 -7.40451 -13.6949 -7.44683 45.7471 -22.4886 -18.1211 -21.18 13.0663 TIMING: 3190600 CPU: 10077, 0.00314646/step Wall: 10077, 0.00314646/step, 1.58145 hours remaining, 235.667969 MB of memory in use. ENERGY: 3190600 3923.5976 20505.2234 14359.0352 242.1011 -203904.9256 2819.0860 0.0000 0.0000 52284.7545 -109771.1278 300.4812 -162055.8822 -109401.2854 299.2543 -34.6078 -11.1548 761676.9833 -2.3675 -2.3898 PRESSURE: 3190800 416.021 116.845 -312.666 116.844 -158.554 241.713 -312.666 241.713 207.013 GPRESSURE: 3190800 463.092 -15.3482 -269.443 211.975 -82.5701 186.644 -221.172 26.3935 177.862 PRESSAVG: 3190800 16.2768 -0.544673 -52.0213 -0.54467 0.308908 11.624 -52.0212 11.624 13.709 GPRESSAVG: 3190800 17.2621 -0.960128 -54.6182 -0.825626 -0.430417 14.1388 -48.6883 9.82663 13.4735 TIMING: 3190800 CPU: 10077.6, 0.00313566/step Wall: 10077.6, 0.00313566/step, 1.57585 hours remaining, 235.667969 MB of memory in use. ENERGY: 3190800 3918.0646 20519.7832 14382.3777 255.7591 -203380.2454 2710.8484 0.0000 0.0000 52025.5951 -109567.8172 298.9918 -161593.4123 -109197.0344 298.8447 154.8268 186.1279 761287.8381 10.0982 10.1017 PRESSURE: 3191000 -35.7647 -99.4091 154.485 -99.4091 86.7295 131.28 154.485 131.28 -560.452 GPRESSURE: 3191000 -61.4917 -90.7883 170.701 -102.458 124.071 105.511 -2.65003 170.273 -476.436 PRESSAVG: 3191000 43.294 -10.3004 2.01339 -10.3005 -8.17887 20.7687 2.01336 20.7686 13.7999 GPRESSAVG: 3191000 41.9861 -12.4597 3.5402 -8.15819 -7.15025 18.7186 0.592089 23.3529 13.4048 TIMING: 3191000 CPU: 10078.2, 0.00311953/step Wall: 10078.2, 0.00311953/step, 1.56757 hours remaining, 235.667969 MB of memory in use. ENERGY: 3191000 4022.1553 20519.6297 14424.5558 248.5950 -203192.8238 2532.0060 0.0000 0.0000 52001.7730 -109444.1091 298.8549 -161445.8820 -109084.5365 299.3539 -169.8292 -137.9523 762591.0621 16.3050 16.0802 PRESSURE: 3191200 230.343 62.1803 -242.948 62.1803 -123.635 80.4764 -242.949 80.4767 378.121 GPRESSURE: 3191200 232.045 27.0475 -242.495 71.3021 19.5287 91.5446 -267.79 -3.04633 316.114 PRESSAVG: 3191200 -1.99948 -23.6224 4.10506 -23.6225 -31.757 -23.4733 4.10511 -23.4731 19.1651 GPRESSAVG: 3191200 -1.05759 -22.1228 4.15387 -25.7564 -33.2233 -23.9067 4.30488 -22.393 20.5633 TIMING: 3191200 CPU: 10078.9, 0.00314045/step Wall: 10078.9, 0.00314045/step, 1.5779 hours remaining, 235.667969 MB of memory in use. ENERGY: 3191200 3982.9456 20701.2016 14418.5441 265.6765 -203768.8886 2859.1584 0.0000 0.0000 52086.7614 -109454.6010 299.3433 -161541.3623 -109100.7511 299.6418 161.6096 189.2290 761972.9527 -4.8638 -4.5725 PRESSURE: 3191400 367.252 -29.4543 17.9612 -29.4541 186.986 39.0404 17.9615 39.0403 -45.877 GPRESSURE: 3191400 331.065 -72.7312 127.253 57.7082 300.442 -72.4612 -35.4412 111.171 -43.2735 PRESSAVG: 3191400 18.3656 36.2798 -42.6036 36.2798 -33.1575 47.5026 -42.6036 47.5026 24.5715 GPRESSAVG: 3191400 19.1794 36.1313 -40.5989 34.5321 -33.5074 47.9607 -42.0836 44.3325 24.3885 TIMING: 3191400 CPU: 10079.5, 0.00315236/step Wall: 10079.5, 0.00315236/step, 1.58371 hours remaining, 235.667969 MB of memory in use. ENERGY: 3191400 3971.4906 20596.9230 14340.2444 225.8666 -203669.2646 3006.2377 0.0000 0.0000 52192.1889 -109336.3135 299.9492 -161528.5023 -108970.3140 299.3347 169.4538 196.0776 761473.6903 3.2599 3.3535 PRESSURE: 3191600 136.095 38.8678 102.301 38.868 112.184 -25.6002 102.301 -25.5995 203.235 GPRESSURE: 3191600 128.808 131.822 88.0661 106.589 223.463 7.31927 110.934 21.1427 182.752 PRESSAVG: 3191600 -13.0106 -40.0712 34.5206 -40.0711 -11.5431 -6.39881 34.5206 -6.39881 5.98094 GPRESSAVG: 3191600 -13.9662 -40.6953 32.8542 -38.4503 -10.7147 -7.27323 32.6336 -6.83217 5.79321 TIMING: 3191600 CPU: 10080.1, 0.00315209/step Wall: 10080.1, 0.00315209/step, 1.5834 hours remaining, 235.667969 MB of memory in use. ENERGY: 3191600 3925.1562 20588.7576 14331.7775 253.7053 -203641.8562 2873.1436 0.0000 0.0000 52210.6755 -109458.6407 300.0555 -161669.3161 -109087.8102 299.5079 150.5047 178.3408 761867.2487 -6.1909 -6.2959 PRESSURE: 3191800 172.116 36.5071 -74.9518 36.5072 -184.698 -111.91 -74.9523 -111.91 192.592 GPRESSURE: 3191800 121.601 26.7751 -110.469 38.0266 -10.5875 -77.9649 -59.1345 -194.314 143.922 PRESSAVG: 3191800 -46.7909 -60.1113 29.7473 -60.1113 53.5494 -34.1339 29.7473 -34.1338 13.2275 GPRESSAVG: 3191800 -47.8937 -59.3095 29.366 -59.3443 53.598 -33.8745 32.0842 -32.6773 13.7876 TIMING: 3191800 CPU: 10080.8, 0.003152/step Wall: 10080.8, 0.003152/step, 1.58318 hours remaining, 235.667969 MB of memory in use. ENERGY: 3191800 3955.2861 20434.9296 14318.1948 231.6689 -203779.8899 3003.9295 0.0000 0.0000 52334.5865 -109501.2947 300.7676 -161835.8812 -109135.2330 299.7846 60.0033 84.9784 760981.7775 6.6620 6.4973 PRESSURE: 3192000 47.3396 -144.119 267.48 -144.119 214.336 127.938 267.48 127.938 173.318 GPRESSURE: 3192000 70.4041 -219.165 177.939 -62.5594 173.724 121.817 154.89 118.835 262.167 PRESSAVG: 3192000 -8.74242 -46.3109 20.7472 -46.3109 6.78737 39.2713 20.7473 39.2713 -11.5836 GPRESSAVG: 3192000 -7.99605 -46.1627 19.9558 -45.675 6.91362 39.3694 21.4536 39.8089 -11.6838 TIMING: 3192000 CPU: 10081.4, 0.00315728/step Wall: 10081.4, 0.00315728/step, 1.58566 hours remaining, 235.667969 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: 3192000 3998.5211 20602.1528 14420.9535 255.4974 -203870.7343 2915.9794 0.0000 0.0000 52246.1013 -109431.5289 300.2591 -161677.6302 -109058.6355 299.8359 144.9979 168.7649 760234.3671 -4.5129 -4.2554 PRESSURE: 3192200 -104.744 -35.3488 153.323 -35.3481 107.66 -53.3831 153.323 -53.3834 325.245 GPRESSURE: 3192200 -8.1556 129.444 155.295 -149.013 72.8824 47.8282 278.461 -176.28 333.201 PRESSAVG: 3192200 -30.8793 -21.9257 19.7818 -21.9256 97.9189 44.0015 19.782 44.0016 -9.56507 GPRESSAVG: 3192200 -29.8816 -22.6236 20.0889 -25.0486 96.6834 43.4603 20.0092 43.8144 -9.78819 TIMING: 3192200 CPU: 10082, 0.00315745/step Wall: 10082, 0.00315745/step, 1.58556 hours remaining, 235.667969 MB of memory in use. ENERGY: 3192200 3981.2027 20602.5281 14376.5242 245.2446 -203770.9117 2846.0763 0.0000 0.0000 52270.5360 -109448.7998 300.3995 -161719.3358 -109090.4926 299.9895 109.3870 132.6426 761582.1310 19.1582 19.0045 LDB: ============= START OF LOAD BALANCING ============== 10094.6 LDB: ============== END OF LOAD BALANCING =============== 10094.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10094.6 LDB: ============= START OF LOAD BALANCING ============== 10094.9 LDB: Largest compute 7076 load 0.033683 is 17.2% of average load 0.195801 LDB: Average compute 0.004371 is 2.2% of average load 0.195801 LDB: TIME 10094.9 LOAD: AVG 0.195801 MAX 0.21866 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.68 MB LDB: TIME 10094.9 LOAD: AVG 0.195801 MAX 0.21866 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: TIME 10094.9 LOAD: AVG 0.195801 MAX 0.218275 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.68 MB LDB: ============== END OF LOAD BALANCING =============== 10094.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10094.9 PRESSURE: 3192400 -301.22 -55.9854 -30.8825 -55.9849 -100.514 -210.398 -30.8826 -210.398 -432.812 GPRESSURE: 3192400 -293.606 3.72476 -71.1428 -72.9222 -65.5106 -103.295 -55.4965 -285.628 -379.073 PRESSAVG: 3192400 -15.7912 -0.222796 -13.5448 -0.222749 -4.25476 -9.8133 -13.5448 -9.81333 10.4811 GPRESSAVG: 3192400 -16.5371 -0.776836 -13.4371 -0.465469 -3.73487 -7.19299 -14.275 -9.67395 10.728 TIMING: 3192400 CPU: 10082.7, 0.00322897/step Wall: 10082.7, 0.00322897/step, 1.6213 hours remaining, 235.140625 MB of memory in use. ENERGY: 3192400 4004.6818 20608.1344 14395.6677 244.6958 -203031.0071 2579.7058 0.0000 0.0000 51966.0777 -109232.0439 298.6498 -161198.1215 -108858.6135 300.0657 -278.1819 -246.0631 761080.8653 -3.1883 -3.1813 PRESSURE: 3192600 -271.143 -161.915 -137.24 -161.916 -258.534 -252.127 -137.241 -252.127 -185.516 GPRESSURE: 3192600 -168.247 -253.184 -117.749 -62.3188 -217.379 -309.047 -6.26501 -225.859 -251.405 PRESSAVG: 3192600 21.8106 -33.1864 -4.85406 -33.1864 -19.3398 -26.8721 -4.85403 -26.8721 -11.3382 GPRESSAVG: 3192600 23.0246 -34.719 -4.67246 -30.4616 -19.8906 -28.6836 -3.98585 -26.8823 -12.1684 TIMING: 3192600 CPU: 10083.3, 0.00316643/step Wall: 10083.3, 0.00316643/step, 1.58972 hours remaining, 235.140625 MB of memory in use. ENERGY: 3192600 3994.3732 20720.5605 14350.7050 249.6082 -203009.8335 2361.0602 0.0000 0.0000 52149.9647 -109183.5617 299.7066 -161333.5265 -108805.3142 300.0077 -238.3976 -212.3437 759861.2750 -2.9558 -3.0114 PRESSURE: 3192800 77.2292 18.7886 -15.4631 18.7897 308.273 61.3873 -15.4623 61.3875 -130.734 GPRESSURE: 3192800 135.24 175.115 75.068 -63.3618 279.629 7.64059 -6.42778 24.5 -70.671 PRESSAVG: 3192800 0.237027 -57.562 17.2882 -57.562 12.7339 -16.4523 17.2881 -16.4523 -2.70397 GPRESSAVG: 3192800 -0.137152 -55.9937 19.1838 -59.5851 12.2861 -14.2202 15.5203 -18.7114 -2.22131 TIMING: 3192800 CPU: 10083.9, 0.00314632/step Wall: 10083.9, 0.00314632/step, 1.57945 hours remaining, 235.140625 MB of memory in use. ENERGY: 3192800 3986.0282 20611.6674 14463.5238 246.8379 -203452.4562 2657.0191 0.0000 0.0000 52224.4472 -109262.9325 300.1346 -161487.3797 -108895.3429 300.2297 84.9227 114.7325 759469.5918 3.4223 3.3092 PRESSURE: 3193000 64.5176 -134.691 -210.921 -134.691 -29.2553 -264.19 -210.92 -264.19 -231.397 GPRESSURE: 3193000 -7.22999 -222.973 -164.654 -74.2811 45.5827 -290.038 -189.986 -245.39 -158.473 PRESSAVG: 3193000 58.8086 -31.3707 19.0001 -31.3707 25.0783 -13.2742 19.0001 -13.2741 -16.5258 GPRESSAVG: 3193000 56.7908 -31.4922 17.7827 -30.7807 26.4228 -15.157 18.482 -9.99583 -16.6544 TIMING: 3193000 CPU: 10084.6, 0.00314743/step Wall: 10084.6, 0.00314743/step, 1.57984 hours remaining, 235.140625 MB of memory in use. ENERGY: 3193000 4003.3485 20601.7480 14427.8763 239.1129 -203259.9246 2684.7400 0.0000 0.0000 51999.0203 -109304.0787 298.8391 -161303.0990 -108939.7742 300.0431 -65.3782 -40.0401 762136.7174 22.4537 22.1864 PRESSURE: 3193200 79.9032 -131.387 -87.6075 -131.387 247.626 23.6977 -87.6073 23.6969 192.631 GPRESSURE: 3193200 106.958 -105.543 -82.109 -110.085 322.17 94.4169 -54.6681 -44.1742 194.354 PRESSAVG: 3193200 -19.996 -62.8184 -38.0112 -62.8183 33.9571 -36.7141 -38.0111 -36.7141 -8.11661 GPRESSAVG: 3193200 -18.7716 -63.5556 -39.1848 -60.9079 33.4207 -36.0327 -35.8978 -37.0744 -9.03408 TIMING: 3193200 CPU: 10085.2, 0.003173/step Wall: 10085.2, 0.003173/step, 1.59249 hours remaining, 235.140625 MB of memory in use. ENERGY: 3193200 3926.3914 20591.1004 14302.5304 234.3596 -203467.6167 2742.5678 0.0000 0.0000 52265.3617 -109405.3053 300.3698 -161670.6670 -109032.9552 299.8152 173.3867 207.8274 760520.6587 1.9482 1.8717 PRESSURE: 3193400 -6.94638 -131.811 84.6757 -131.811 -3.7077 184.56 84.6759 184.56 -70.1437 GPRESSURE: 3193400 11.5602 -138.849 14.8824 -176.286 10.6354 276.799 37.0383 132.29 -0.378824 PRESSAVG: 3193400 -4.21448 20.8366 22.7141 20.8367 2.26776 -36.6444 22.7141 -36.6444 22.2585 GPRESSAVG: 3193400 -5.58077 21.2724 23.7568 20.4812 1.39539 -37.1789 19.0071 -37.3208 24.3187 TIMING: 3193400 CPU: 10085.8, 0.00315949/step Wall: 10085.8, 0.00315949/step, 1.58554 hours remaining, 235.140625 MB of memory in use. ENERGY: 3193400 3910.7358 20564.3762 14307.0314 259.6726 -203264.2373 2500.1174 0.0000 0.0000 52346.1195 -109376.1843 300.8339 -161722.3039 -109012.6167 299.7335 -26.9326 7.2723 763354.6991 6.7706 6.7111 PRESSURE: 3193600 -155.897 69.6036 -194.573 69.6038 -68.8046 174.214 -194.572 174.213 154.573 GPRESSURE: 3193600 -73.3917 -23.2594 -140.295 -32.4761 -16.1599 114.975 -130.077 116.717 113.403 PRESSAVG: 3193600 -2.63677 35.918 -3.13839 35.9181 9.1069 -20.2123 -3.13843 -20.2123 12.9615 GPRESSAVG: 3193600 -0.939382 34.176 -4.1094 33.3943 9.04389 -20.1475 -0.819159 -20.5797 11.8621 TIMING: 3193600 CPU: 10086.5, 0.0031359/step Wall: 10086.5, 0.0031359/step, 1.57353 hours remaining, 235.140625 MB of memory in use. ENERGY: 3193600 3990.4835 20577.7106 14400.9926 259.3991 -203737.0773 2748.1918 0.0000 0.0000 52156.6759 -109603.6239 299.7451 -161760.2998 -109242.2448 299.4661 -23.3760 7.9503 763399.9455 6.4772 6.6555 PRESSURE: 3193800 -368.698 0.944903 -94.5956 0.944225 12.9518 72.0126 -94.5957 72.0119 -45.6256 GPRESSURE: 3193800 -291.529 -7.09881 -100.533 57.807 7.60432 72.4179 -83.7199 -35.2875 -32.0712 PRESSAVG: 3193800 -86.7728 -26.6771 -20.5873 -26.6771 47.1622 -16.3925 -20.5872 -16.3925 1.63835 GPRESSAVG: 3193800 -86.8115 -24.9023 -21.1345 -27.5733 47.9073 -17.4895 -22.0217 -16.9944 0.723426 TIMING: 3193800 CPU: 10087.1, 0.00314894/step Wall: 10087.1, 0.00314894/step, 1.57989 hours remaining, 235.343750 MB of memory in use. ENERGY: 3193800 4008.5452 20576.8847 14365.5353 248.7909 -203274.0187 2610.1176 0.0000 0.0000 51816.7318 -109647.4132 297.7915 -161464.1450 -109280.4765 299.1047 -133.7907 -105.3318 763304.6730 -12.6574 -12.7269 PRESSURE: 3194000 -175.11 -82.9317 -134.939 -82.9316 -113.36 -47.3816 -134.938 -47.3825 -8.18983 GPRESSURE: 3194000 -101.172 7.63438 -101.502 -103.36 -48.1127 5.00945 -163.285 114.152 -58.8841 PRESSAVG: 3194000 -53.1231 -5.43635 24.119 -5.43636 94.1457 19.2744 24.119 19.2744 3.81648 GPRESSAVG: 3194000 -52.4859 -5.75449 24.6905 -2.10825 93.0348 19.5977 25.2944 19.8686 3.82081 TIMING: 3194000 CPU: 10087.7, 0.00314712/step Wall: 10087.7, 0.00314712/step, 1.57881 hours remaining, 235.343750 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: 3194000 4073.8233 20534.4396 14419.9000 239.0968 -203698.6863 2722.4741 0.0000 0.0000 51956.7259 -109752.2265 298.5960 -161708.9524 -109403.6396 298.6791 -98.8866 -69.3896 761133.4655 14.9463 14.7899 PRESSURE: 3194200 -343.033 16.9548 58.9938 16.955 -47.4142 -141.045 58.993 -141.045 -154.983 GPRESSURE: 3194200 -230.926 -11.9443 92.9884 39.9092 -35.927 -130.927 6.70326 -51.1009 -203.077 PRESSAVG: 3194200 -33.8496 21.3836 12.0784 21.3835 40.9785 -21.4183 12.0784 -21.4183 -10.1989 GPRESSAVG: 3194200 -35.2556 21.4042 14.0755 20.5831 41.8637 -21.5157 12.8069 -21.3751 -9.27166 TIMING: 3194200 CPU: 10088.3, 0.00313951/step Wall: 10088.3, 0.00313951/step, 1.57481 hours remaining, 235.332031 MB of memory in use. ENERGY: 3194200 3960.7289 20548.6991 14374.8176 256.6981 -203167.8699 2446.7754 0.0000 0.0000 51765.4827 -109814.6680 297.4969 -161580.1507 -109446.7249 298.3888 -181.8099 -156.6434 761978.7607 -1.0234 -0.8878 PRESSURE: 3194400 -236.161 137.939 5.00043 137.939 278.2 -93.4293 5.00052 -93.4287 92.2982 GPRESSURE: 3194400 -125.508 127.065 -20.8459 165.688 217.393 -144.788 10.2309 -17.1734 113.623 PRESSAVG: 3194400 -22.4357 27.8343 -50.2417 27.8343 12.6299 -28.3317 -50.2417 -28.3317 -8.94329 GPRESSAVG: 3194400 -21.8778 28.6994 -50.9992 26.8521 12.0287 -27.9054 -51.8242 -29.9581 -8.45093 TIMING: 3194400 CPU: 10089, 0.00313436/step Wall: 10089, 0.00313436/step, 1.57205 hours remaining, 235.343750 MB of memory in use. ENERGY: 3194400 3890.2753 20279.8559 14423.9924 233.0996 -203757.2881 2890.3649 0.0000 0.0000 52249.9650 -109789.7351 300.2813 -162039.7001 -109423.8157 298.6174 44.7790 68.5024 761371.7481 -6.2497 -6.1000 PRESSURE: 3194600 129.018 4.85466 -18.9521 4.85436 91.788 -27.7695 -18.9514 -27.7697 5.53087 GPRESSURE: 3194600 173.697 27.1713 3.38874 9.81151 86.9412 28.3111 -30.4643 3.71323 52.4596 PRESSAVG: 3194600 -14.8985 -49.3395 0.417613 -49.3395 50.0214 -36.2805 0.417553 -36.2805 6.2028 GPRESSAVG: 3194600 -16.03 -51.1247 -0.61749 -49.0183 51.4526 -35.4742 3.54973 -37.2577 6.11494 TIMING: 3194600 CPU: 10089.6, 0.00314433/step Wall: 10089.6, 0.00314433/step, 1.57688 hours remaining, 235.343750 MB of memory in use. ENERGY: 3194600 3942.9130 20520.5588 14405.7843 250.2737 -203067.3519 2584.0005 0.0000 0.0000 51550.1091 -109813.7123 296.2592 -161363.8215 -109458.1921 298.4141 75.4456 104.3660 761732.9202 13.7752 13.8459 PRESSURE: 3194800 220.819 -111.814 53.5734 -111.814 197.383 -95.6893 53.5733 -95.6903 -77.3684 GPRESSURE: 3194800 230.673 -222.455 49.9163 -71.7799 191.397 -50.0375 16.2466 -73.8481 0.0125691 PRESSAVG: 3194800 -25.2665 -36.8508 30.1745 -36.8508 -5.39717 -45.3687 30.1745 -45.3688 21.9984 GPRESSAVG: 3194800 -24.231 -36.1931 29.3298 -35.0916 -6.50513 -45.1587 27.7661 -43.3406 21.5875 TIMING: 3194800 CPU: 10090.2, 0.00312726/step Wall: 10090.2, 0.00312726/step, 1.56815 hours remaining, 235.343750 MB of memory in use. ENERGY: 3194800 4049.2029 20488.5669 14332.0321 254.6745 -203714.0635 2994.9142 0.0000 0.0000 51956.6683 -109638.0047 298.5957 -161594.6730 -109283.1004 298.4150 113.6114 140.6942 760825.2574 -2.8884 -3.0496 PRESSURE: 3195000 55.8049 178.791 -40.8215 178.793 -46.3041 14.4756 -40.8217 14.4755 -20.1317 GPRESSURE: 3195000 96.1772 79.4209 -5.92286 67.231 19.848 -111.412 -147.067 22.835 -32.3335 PRESSAVG: 3195000 -13.968 14.412 26.4023 14.412 36.7951 15.8071 26.4023 15.8072 17.3688 GPRESSAVG: 3195000 -12.7917 14.7401 26.097 11.7958 35.9488 14.475 28.0105 15.5942 17.6661 TIMING: 3195000 CPU: 10090.8, 0.00312319/step Wall: 10090.8, 0.00312319/step, 1.56593 hours remaining, 235.343750 MB of memory in use. ENERGY: 3195000 3983.7207 20524.0865 14408.5817 247.0464 -203793.9588 2737.9936 0.0000 0.0000 52171.8410 -109720.6889 299.8323 -161892.5300 -109365.4700 299.0707 -3.5436 27.8972 761467.2248 13.3986 13.6077 PRESSURE: 3195200 -191.079 46.4316 354.345 46.4306 -234.632 -111.115 354.345 -111.115 105.901 GPRESSURE: 3195200 -104.975 70.6085 362.779 121.943 -157.007 11.6797 373.298 -259.419 30.9677 PRESSAVG: 3195200 -13.8016 -45.2308 1.55371 -45.2308 -28.5551 6.90216 1.55379 6.90214 6.52306 GPRESSAVG: 3195200 -14.8754 -45.7418 1.74367 -42.7051 -26.542 7.69548 0.0642733 5.32118 5.56724 TIMING: 3195200 CPU: 10091.5, 0.00312901/step Wall: 10091.5, 0.00312901/step, 1.56868 hours remaining, 235.343750 MB of memory in use. ENERGY: 3195200 3943.4280 20421.8294 14349.2355 233.4338 -203261.2351 2613.2850 0.0000 0.0000 51983.4711 -109716.5522 298.7497 -161700.0233 -109349.3520 298.4877 -106.6034 -77.0046 763020.0763 -11.9445 -11.9500 PRESSURE: 3195400 -106.072 -138.195 75.1895 -138.195 -86.1477 126.377 75.1899 126.377 33.1882 GPRESSURE: 3195400 -69.9274 -272.788 94.3126 -76.7013 -57.8495 160.723 94.3845 43.0486 65.9163 PRESSAVG: 3195400 3.91007 -18.613 -7.15939 -18.6131 -59.2392 -13.3665 -7.15938 -13.3666 -1.49837 GPRESSAVG: 3195400 3.41641 -19.5354 -6.30099 -19.2956 -58.9071 -13.047 -6.31574 -12.4016 -1.66761 TIMING: 3195400 CPU: 10092.1, 0.00313669/step Wall: 10092.1, 0.00313669/step, 1.57235 hours remaining, 235.343750 MB of memory in use. ENERGY: 3195400 4041.4638 20635.2340 14352.0670 242.8817 -203539.0935 2839.3995 0.0000 0.0000 51697.7876 -109730.2600 297.1079 -161428.0475 -109393.0789 298.9224 -53.0106 -20.6202 761954.8868 -18.9425 -19.0528 PRESSURE: 3195600 -78.7295 -179.943 -111.383 -179.943 -358.451 189.783 -111.383 189.783 272.406 GPRESSURE: 3195600 -110.789 -231.249 -118.916 -182.135 -244.828 227.682 7.74715 199.138 291.17 PRESSAVG: 3195600 8.09332 -0.0365975 -2.71552 -0.0367397 23.0738 -13.9579 -2.71561 -13.9579 18.2209 GPRESSAVG: 3195600 7.39843 2.62958 -3.18906 -0.590453 22.9305 -15.1479 -3.00891 -13.0199 18.8464 TIMING: 3195600 CPU: 10092.7, 0.00315111/step Wall: 10092.7, 0.00315111/step, 1.57941 hours remaining, 235.343750 MB of memory in use. ENERGY: 3195600 3965.8505 20588.7032 14279.8788 233.1272 -202928.1232 2339.7954 0.0000 0.0000 51853.3526 -109667.4156 298.0019 -161520.7681 -109317.0953 298.4288 -54.9251 -21.4824 761826.5554 16.4627 16.3918 PRESSURE: 3195800 191.944 -46.1864 -85.923 -46.1863 -28.8586 15.1371 -85.923 15.1366 108.264 GPRESSURE: 3195800 226.781 -110.259 -145.238 -114.402 47.5398 89.5099 -124.727 94.0691 100.432 PRESSAVG: 3195800 -16.5192 -27.333 -30.1966 -27.333 3.28506 -56.7138 -30.1966 -56.7139 -8.27384 GPRESSAVG: 3195800 -15.6372 -28.638 -29.2242 -27.4367 2.82036 -54.3711 -29.3123 -58.731 -8.53374 TIMING: 3195800 CPU: 10093.4, 0.00313823/step Wall: 10093.4, 0.00313823/step, 1.57277 hours remaining, 235.343750 MB of memory in use. ENERGY: 3195800 3911.6189 20467.1277 14349.5542 277.0818 -203249.2799 2514.9012 0.0000 0.0000 51909.1064 -109819.8898 298.3223 -161728.9961 -109463.3717 298.3601 90.4498 124.9175 761460.5264 -7.1693 -7.1168 PRESSURE: 3196000 -57.4548 -8.20236 53.2313 -8.20242 -228.199 65.103 53.2318 65.1033 130.638 GPRESSURE: 3196000 -38.5284 34.2739 124.496 -42.676 -180.631 14.5163 3.12296 -1.50372 142.583 PRESSAVG: 3196000 12.4508 -36.8223 -61.958 -36.8223 -9.35849 1.58895 -61.9579 1.5889 -0.0529702 GPRESSAVG: 3196000 11.8714 -34.9012 -61.8017 -37.2291 -9.17502 -0.982084 -62.7621 4.16171 0.838074 TIMING: 3196000 CPU: 10094, 0.00315238/step Wall: 10094, 0.00315238/step, 1.57969 hours remaining, 235.343750 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: 3196000 3973.4325 20383.3739 14354.1682 242.2673 -203605.2316 2762.6116 0.0000 0.0000 52002.1043 -109887.2737 298.8568 -161889.3780 -109524.8320 298.0619 -51.6720 -25.5254 762768.8880 1.0131 1.1782 PRESSURE: 3196200 87.3528 -293.817 -183.74 -293.818 64.6909 -253.471 -183.74 -253.472 359.762 GPRESSURE: 3196200 111.882 -349.075 -169.911 -220.681 107.463 -189.362 -160.196 -214.49 384.344 PRESSAVG: 3196200 2.21295 24.1844 12.0817 24.1844 -2.20529 -24.8977 12.0817 -24.8976 -14.5834 GPRESSAVG: 3196200 3.41424 22.1108 11.0497 24.1569 -2.86165 -24.2908 11.373 -24.6985 -15.0905 TIMING: 3196200 CPU: 10094.6, 0.00312642/step Wall: 10094.6, 0.00312642/step, 1.56651 hours remaining, 235.343750 MB of memory in use. ENERGY: 3196200 3871.8218 20519.1931 14377.2523 225.0777 -203131.8915 2764.5544 0.0000 0.0000 51786.1317 -109587.8605 297.6156 -161373.9921 -109223.8748 298.6118 170.6018 201.2294 761428.0917 -4.8586 -4.8460 LDB: ============= START OF LOAD BALANCING ============== 10107.1 LDB: ============== END OF LOAD BALANCING =============== 10107.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10107.1 LDB: ============= START OF LOAD BALANCING ============== 10107.5 LDB: Largest compute 7075 load 0.033923 is 17.3% of average load 0.195584 LDB: Average compute 0.004383 is 2.2% of average load 0.195584 LDB: TIME 10107.5 LOAD: AVG 0.195584 MAX 0.217289 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 10107.5 LOAD: AVG 0.195584 MAX 0.217289 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: TIME 10107.5 LOAD: AVG 0.195584 MAX 0.217289 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.465 MB LDB: ============== END OF LOAD BALANCING =============== 10107.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10107.5 PRESSURE: 3196400 -267.451 18.9769 -58.832 18.9769 -90.964 -71.7068 -58.8316 -71.7064 -393.149 GPRESSURE: 3196400 -151.698 -30.8593 -122.004 -9.85604 -171.715 -4.32583 -44.2844 -62.1244 -360.903 PRESSAVG: 3196400 19.683 -9.8079 -10.4351 -9.80794 -37.615 12.8196 -10.4351 12.8197 6.98227 GPRESSAVG: 3196400 19.3089 -8.64899 -9.59391 -11.5676 -37.6219 12.7749 -10.573 11.2645 7.11014 TIMING: 3196400 CPU: 10095.3, 0.00322798/step Wall: 10095.3, 0.00322798/step, 1.61722 hours remaining, 234.371094 MB of memory in use. ENERGY: 3196400 4022.1398 20592.3735 14356.1978 213.7395 -203451.2759 2684.6121 0.0000 0.0000 51961.1023 -109621.1108 298.6212 -161582.2131 -109257.7402 298.0969 -250.5214 -228.1055 763571.4026 -3.6499 -3.7343 PRESSURE: 3196600 290.223 -126.838 -94.038 -126.839 -124.228 197.976 -94.0388 197.975 -17.0974 GPRESSURE: 3196600 317.733 12.1864 -198.579 -118.647 -128.844 271.256 -169.519 41.3634 36.1102 PRESSAVG: 3196600 5.97556 -2.99303 61.1645 -2.99304 -5.31735 42.745 61.1646 42.745 -4.08683 GPRESSAVG: 3196600 7.29155 -3.54693 60.987 -3.05345 -5.72178 42.9668 58.73 42.1384 -4.35718 TIMING: 3196600 CPU: 10095.9, 0.00314888/step Wall: 10095.9, 0.00314888/step, 1.57742 hours remaining, 234.574219 MB of memory in use. ENERGY: 3196600 3921.9286 20653.2792 14310.4876 257.1693 -202957.8217 2688.7085 0.0000 0.0000 51606.3345 -109519.9140 296.5823 -161126.2485 -109164.7138 298.4532 49.6325 74.9998 763326.3556 -1.1429 -0.9291 PRESSURE: 3196800 -333.404 291.415 -246.624 291.415 -313.045 -9.3977 -246.624 -9.39651 -103.254 GPRESSURE: 3196800 -333.064 310.008 -345.382 252.99 -271.625 -143.471 -238.658 103.153 -57.6584 PRESSAVG: 3196800 48.263 -64.3153 29.2269 -64.3153 -30.0662 24.538 29.227 24.5379 7.58854 GPRESSAVG: 3196800 45.3161 -65.7048 27.2073 -61.8782 -29.1711 25.1556 31.366 25.6722 9.18232 TIMING: 3196800 CPU: 10096.5, 0.00315877/step Wall: 10096.5, 0.00315877/step, 1.5822 hours remaining, 234.574219 MB of memory in use. ENERGY: 3196800 3955.0474 20435.6493 14370.2670 250.6808 -202982.7910 2496.2188 0.0000 0.0000 52013.9550 -109460.9728 298.9249 -161474.9277 -109093.7036 298.4271 -249.9010 -220.7828 762581.1518 8.5951 8.4424 PRESSURE: 3197000 107.51 261.55 -202.431 261.551 -53.8765 70.328 -202.431 70.3278 194.603 GPRESSURE: 3197000 265.807 348.156 -124.881 143.131 -79.0853 55.7905 -93.2689 7.50951 150.442 PRESSAVG: 3197000 0.297803 11.283 -22.1072 11.283 0.905288 0.206294 -22.1072 0.206297 -15.4803 GPRESSAVG: 3197000 2.99955 12.8601 -21.0187 8.89953 -0.195851 -1.14375 -19.9402 -1.01448 -17.0251 TIMING: 3197000 CPU: 10097.2, 0.00316038/step Wall: 10097.2, 0.00316038/step, 1.58283 hours remaining, 234.574219 MB of memory in use. ENERGY: 3197000 3925.8673 20494.6592 14349.2191 244.9588 -203520.0324 2860.9856 0.0000 0.0000 52090.2732 -109554.0691 299.3635 -161644.3423 -109184.8380 298.9742 82.7456 112.3879 762619.8599 -4.7591 -4.7405 PRESSURE: 3197200 -162.741 -1.19574 122.231 -1.19588 -170.287 -141.87 122.232 -141.87 -31.8069 GPRESSURE: 3197200 -127.928 41.0793 153.605 22.0153 -133.74 -170.783 122.087 -11.633 -12.7822 PRESSAVG: 3197200 32.0757 3.50865 29.3905 3.50863 12.746 33.7989 29.3906 33.7989 -10.5465 GPRESSAVG: 3197200 31.0695 2.15327 30.2834 6.28412 14.3357 34.8176 28.4411 36.6206 -10.5037 TIMING: 3197200 CPU: 10097.8, 0.00314979/step Wall: 10097.8, 0.00314979/step, 1.57734 hours remaining, 234.574219 MB of memory in use. ENERGY: 3197200 3949.4793 20382.7695 14356.2891 288.2634 -202715.6231 2271.9884 0.0000 0.0000 51853.8141 -109613.0192 298.0046 -161466.8333 -109253.3758 298.4794 -121.6118 -91.4833 763043.7145 11.4251 11.6338 PRESSURE: 3197400 412.113 7.2495 196.59 7.24891 -617.1 162.287 196.59 162.287 -389.668 GPRESSURE: 3197400 310.611 54.0352 217.493 -106.483 -455.202 72.6904 190.956 21.8036 -365.784 PRESSAVG: 3197400 26.2673 7.81949 9.57192 7.81952 -32.212 -17.2256 9.57189 -17.2255 -9.90383 GPRESSAVG: 3197400 26.1511 8.51645 9.35036 6.32534 -32.0941 -18.0291 10.4351 -18.7999 -9.13312 TIMING: 3197400 CPU: 10098.4, 0.00315098/step Wall: 10098.4, 0.00315098/step, 1.57777 hours remaining, 234.574219 MB of memory in use. ENERGY: 3197400 3918.6715 20567.6065 14388.6458 256.7977 -203199.9136 2546.4477 0.0000 0.0000 52069.1866 -109452.5578 299.2423 -161521.7444 -109104.4987 298.7904 -198.2184 -170.1252 762121.2560 -5.2828 -5.0254 PRESSURE: 3197600 87.4835 48.3842 -190.415 48.3851 70.4703 76.8108 -190.415 76.8115 336.435 GPRESSURE: 3197600 116.867 -40.3681 -192.61 -90.6691 125.816 61.5807 -178.055 129.559 322.022 PRESSAVG: 3197600 32.1837 -26.661 -7.12617 -26.6609 -18.5911 28.5626 -7.1262 28.5626 22.3958 GPRESSAVG: 3197600 33.3093 -29.0008 -5.56269 -26.2448 -18.8842 27.5221 -9.28665 29.3077 21.8438 TIMING: 3197600 CPU: 10099, 0.0031542/step Wall: 10099, 0.0031542/step, 1.5792 hours remaining, 234.574219 MB of memory in use. ENERGY: 3197600 3911.8298 20575.2994 14352.6975 226.1542 -203560.8022 3052.0028 0.0000 0.0000 51808.5680 -109634.2505 297.7446 -161442.8185 -109267.3517 298.3319 164.7962 188.2353 762115.7590 11.9961 12.0896 PRESSURE: 3197800 -21.123 82.3066 11.2314 82.3061 -112.544 -44.743 11.2315 -44.7414 -208.734 GPRESSURE: 3197800 -0.620241 155.038 -102.397 87.3598 -17.6405 -31.8258 -30.2891 -11.3701 -220.527 PRESSAVG: 3197800 52.4039 -39.1361 -15.2596 -39.1361 15.208 8.58607 -15.2596 8.58606 6.36519 GPRESSAVG: 3197800 51.5482 -36.6162 -18.0103 -39.0764 14.983 9.4267 -15.2591 9.6363 7.10379 TIMING: 3197800 CPU: 10099.7, 0.00314727/step Wall: 10099.7, 0.00314727/step, 1.57556 hours remaining, 234.574219 MB of memory in use. ENERGY: 3197800 4019.3126 20485.1073 14375.9775 238.3487 -202889.5412 2408.4050 0.0000 0.0000 51790.2467 -109572.1435 297.6393 -161362.3901 -109209.0108 298.7915 -114.1336 -79.5959 760923.9961 24.6590 24.5450 PRESSURE: 3198000 78.3513 -152.852 189.638 -152.852 19.0168 44.5167 189.637 44.5167 -273.433 GPRESSURE: 3198000 175.89 -102.702 83.6304 -65.5016 12.5175 31.4626 288.087 22.8728 -273.458 PRESSAVG: 3198000 18.9327 -15.1563 16.9248 -15.1563 -43.0118 -55.9235 16.9248 -55.9235 -3.43423 GPRESSAVG: 3198000 19.5721 -13.4598 18.657 -15.9211 -43.3642 -52.8292 16.6252 -56.6928 -3.76839 TIMING: 3198000 CPU: 10100.3, 0.00313359/step Wall: 10100.3, 0.00313359/step, 1.56853 hours remaining, 234.574219 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: 3198000 3952.1736 20502.7063 14326.5590 255.8568 -203350.9268 2582.6923 0.0000 0.0000 52081.0106 -109649.9283 299.3103 -161730.9389 -109287.2542 298.1471 -58.6885 -28.3502 759001.0872 -9.1711 -9.1868 PRESSURE: 3198200 -254.588 -280.752 -5.64998 -280.751 -454.433 -233.091 -5.64915 -233.093 -119.52 GPRESSURE: 3198200 -209.919 -248.149 -20.6602 -163.375 -440.478 -116.656 -13.7661 -131.985 -104.968 PRESSAVG: 3198200 80.8128 -32.3209 28.9348 -32.3209 -42.8747 0.413749 28.9348 0.413684 -17.4248 GPRESSAVG: 3198200 79.8161 -35.3774 26.5097 -31.5005 -42.765 -2.59672 31.2331 0.481915 -16.7827 TIMING: 3198200 CPU: 10100.9, 0.0031421/step Wall: 10100.9, 0.0031421/step, 1.57262 hours remaining, 234.574219 MB of memory in use. ENERGY: 3198200 3984.9759 20526.6647 14395.6337 232.5278 -203108.2424 2404.0223 0.0000 0.0000 51971.3836 -109593.0343 298.6803 -161564.4179 -109239.3342 298.9071 -276.1804 -251.7883 760356.1130 6.8378 6.7561 PRESSURE: 3198400 3.28144 71.2273 -40.0181 71.2288 -117.751 -150.578 -40.0184 -150.576 -262.632 GPRESSURE: 3198400 37.4695 48.2213 -24.2297 94.221 -20.1864 -96.3834 32.4301 -106.905 -292.807 PRESSAVG: 3198400 25.1563 -64.9647 23.1612 -64.9647 -5.36445 -34.1229 23.1612 -34.1229 -15.8054 GPRESSAVG: 3198400 24.7028 -64.1949 24.4026 -66.7728 -5.19677 -33.7138 22.1526 -33.9668 -15.8077 TIMING: 3198400 CPU: 10101.6, 0.00314873/step Wall: 10101.6, 0.00314873/step, 1.57576 hours remaining, 234.574219 MB of memory in use. ENERGY: 3198400 3995.6912 20444.6671 14387.9248 221.6988 -203114.9650 2528.1049 0.0000 0.0000 51917.6979 -109619.1803 298.3717 -161536.8782 -109268.4235 298.6898 -125.7006 -91.8414 761453.4091 1.3288 1.2328 PRESSURE: 3198600 -22.6531 -157.273 138.557 -157.272 -329.551 162.73 138.557 162.73 -215.819 GPRESSURE: 3198600 -56.9329 -174.123 215.868 -112.208 -281.825 265.272 36.5508 105.276 -166.785 PRESSAVG: 3198600 6.75887 -7.84003 37.7141 -7.84005 -69.3298 -28.7031 37.7142 -28.7031 7.23191 GPRESSAVG: 3198600 7.75801 -8.50425 38.8328 -5.33482 -69.9917 -29.0566 37.4215 -29.2363 7.02752 TIMING: 3198600 CPU: 10102.2, 0.0031604/step Wall: 10102.2, 0.0031604/step, 1.58143 hours remaining, 234.574219 MB of memory in use. ENERGY: 3198600 3988.0618 20448.8700 14394.4147 232.4928 -203201.6121 2443.3983 0.0000 0.0000 52019.4169 -109674.9576 298.9563 -161694.3745 -109306.4439 298.8122 -189.3409 -168.5143 761896.1951 -18.4463 -18.4021 PRESSURE: 3198800 -46.8278 31.1772 103.713 31.1766 -282.162 -128.388 103.713 -128.389 37.7221 GPRESSURE: 3198800 -72.2233 21.8348 9.74072 -7.91957 -149.517 -240.592 -4.30665 19.2706 25.1979 PRESSAVG: 3198800 43.285 6.17306 20.1691 6.17301 -13.1377 5.17076 20.1692 5.17073 -5.81361 GPRESSAVG: 3198800 43.5794 4.4207 18.0654 4.51825 -13.0608 4.83208 18.2308 4.90158 -6.24441 TIMING: 3198800 CPU: 10102.8, 0.00315744/step Wall: 10102.8, 0.00315744/step, 1.57977 hours remaining, 234.574219 MB of memory in use. ENERGY: 3198800 3953.6222 20555.1788 14410.8620 242.8348 -203206.7146 2423.9765 0.0000 0.0000 51840.0920 -109780.1483 297.9257 -161620.2403 -109418.5490 297.9158 -97.0892 -65.5140 762345.1123 8.1112 8.0914 PRESSURE: 3199000 -233.131 -139.327 -197.599 -139.328 -118.035 40.711 -197.6 40.711 41.4961 GPRESSURE: 3199000 -297.83 -120.941 -150.341 -42.8703 -8.83529 -111.254 -78.7084 81.62 78.5612 PRESSAVG: 3199000 15.8492 -32.5221 -6.95727 -32.522 5.0675 -34.0312 -6.95728 -34.0311 -0.514116 GPRESSAVG: 3199000 15.1387 -29.679 -6.78751 -32.8211 6.04344 -33.5741 -6.1575 -34.291 -0.516138 TIMING: 3199000 CPU: 10103.4, 0.00314122/step Wall: 10103.4, 0.00314122/step, 1.57148 hours remaining, 234.574219 MB of memory in use. ENERGY: 3199000 3962.8480 20509.9837 14387.4211 246.0415 -203470.4757 2704.6595 0.0000 0.0000 51763.6488 -109895.8733 297.4864 -161659.5221 -109545.1382 298.1622 -103.2233 -76.0346 761209.8016 6.8009 6.8887 PRESSURE: 3199200 -73.9109 -47.3769 -42.719 -47.3766 139.26 -115.907 -42.7188 -115.907 92.6542 GPRESSURE: 3199200 -57.6492 0.20241 -96.4679 -251.584 183 -79.0118 -31.0305 -128.319 105.155 PRESSAVG: 3199200 36.4638 -26.8504 33.8278 -26.8503 2.53542 -48.0851 33.8278 -48.0851 7.45314 GPRESSAVG: 3199200 36.9013 -26.1475 34.7923 -27.4651 2.88408 -47.3784 34.9688 -46.2737 6.47947 TIMING: 3199200 CPU: 10104.1, 0.00315063/step Wall: 10104.1, 0.00315063/step, 1.57601 hours remaining, 234.574219 MB of memory in use. ENERGY: 3199200 3977.2702 20389.3512 14416.5694 248.2637 -203631.3219 2767.7610 0.0000 0.0000 51931.0589 -109901.0475 298.4485 -161832.1064 -109546.9741 298.6844 52.6678 76.8353 760922.4786 15.4841 15.4216 PRESSURE: 3199400 -251.928 3.58143 -61.5657 3.58099 -153.877 -149.27 -61.566 -149.269 -45.3733 GPRESSURE: 3199400 -185.071 -136.798 -137.482 79.7191 -198.602 -70.6569 19.5489 -163.43 31.8323 PRESSAVG: 3199400 8.50327 -63.0358 44.3741 -63.0357 17.0015 -13.7003 44.3741 -13.7003 7.08132 GPRESSAVG: 3199400 8.41368 -64.9173 43.6802 -59.5589 16.7538 -13.2832 43.2736 -13.6186 7.65241 TIMING: 3199400 CPU: 10104.7, 0.0031363/step Wall: 10104.7, 0.0031363/step, 1.56867 hours remaining, 234.574219 MB of memory in use. ENERGY: 3199400 3977.2493 20399.7886 14385.4873 233.9687 -203090.2189 2582.3010 0.0000 0.0000 51623.2641 -109888.1599 296.6796 -161511.4240 -109536.9231 298.7842 -150.3928 -117.2804 762355.5702 10.8620 10.9400 PRESSURE: 3199600 32.3364 -329.376 -139.885 -329.377 380.889 -4.06541 -139.885 -4.06555 -155.488 GPRESSURE: 3199600 57.0027 -304.122 -184.068 -208.424 325.227 88.7756 -58.3291 -44.8375 -30.8167 PRESSAVG: 3199600 -23.187 -100.118 42.8257 -100.119 40.057 13.906 42.8257 13.906 3.79824 GPRESSAVG: 3199600 -22.5111 -96.5333 44.3289 -103.167 38.3416 14.0544 42.1287 12.8325 4.1797 TIMING: 3199600 CPU: 10105.3, 0.00313853/step Wall: 10105.3, 0.00313853/step, 1.56961 hours remaining, 234.574219 MB of memory in use. ENERGY: 3199600 3907.4800 20355.9257 14375.5318 238.2523 -203989.2845 3068.6364 0.0000 0.0000 52131.0061 -109912.4522 299.5976 -162043.4582 -109541.4810 298.2233 85.9126 117.1376 761611.3446 6.8894 6.6701 PRESSURE: 3199800 -361.724 -122.6 -258.736 -122.6 66.9949 163.513 -258.735 163.513 468.36 GPRESSURE: 3199800 -321.616 -44.9781 -245.031 -81.1953 149.21 142.28 -442.332 117.945 415.369 PRESSAVG: 3199800 25.014 -5.08382 -33.5433 -5.08384 -0.0308223 16.3472 -33.5434 16.3472 27.6414 GPRESSAVG: 3199800 24.896 -8.32801 -35.2307 -4.18064 1.05774 13.4595 -32.9031 15.9171 26.5531 TIMING: 3199800 CPU: 10106, 0.00314076/step Wall: 10106, 0.00314076/step, 1.57056 hours remaining, 234.574219 MB of memory in use. ENERGY: 3199800 3977.8064 20536.2582 14423.5345 258.1673 -203098.0495 2578.0138 0.0000 0.0000 51609.8064 -109714.4629 296.6023 -161324.2693 -109366.9234 298.1379 57.8769 80.9876 762128.9638 17.5415 17.5023 PRESSURE: 3200000 -244.184 -225.075 307.247 -225.074 -49.4515 -180.242 307.246 -180.241 -16.7754 GPRESSURE: 3200000 -226.173 -166.713 254.823 -179.561 12.983 -149.438 307.172 -89.6042 -22.577 PRESSAVG: 3200000 -20.3311 -30.2548 -30.0618 -30.2547 53.2359 13.5134 -30.0618 13.5134 -29.2679 GPRESSAVG: 3200000 -20.0013 -29.1199 -28.7819 -31.2844 51.4059 15.3258 -31.4809 13.401 -27.5948 TIMING: 3200000 CPU: 10106.6, 0.00314143/step Wall: 10106.6, 0.00314143/step, 1.57071 hours remaining, 234.574219 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: 3200000 3984.3682 20266.6127 14394.0989 242.5883 -203566.9799 2823.7457 0.0000 0.0000 52025.6663 -109829.8998 298.9922 -161855.5661 -109457.4285 298.5223 -103.4704 -78.5891 760765.8851 1.2123 1.2700 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.1.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 -120.669 -31.8238 27.5287 -31.8236 8.72241 -137.604 27.5285 -137.604 -344.459 GPRESSURE: 3200200 -74.4105 -85.9985 42.7001 -51.1112 -2.93145 -171.216 85.1421 0.903366 -297.143 PRESSAVG: 3200200 -36.5656 -26.5943 -3.8221 -26.5943 18.1294 20.4364 -3.82211 20.4364 16.904 GPRESSAVG: 3200200 -36.5083 -26.7712 -3.67205 -24.4409 19.3966 18.6302 -2.81854 21.519 16.0621 TIMING: 3200200 CPU: 10107.2, 0.00324908/step Wall: 10107.2, 0.00324908/step, 1.62436 hours remaining, 234.574219 MB of memory in use. ENERGY: 3200200 4045.2082 20452.4555 14326.5349 249.8902 -203398.3202 2531.1686 0.0000 0.0000 51834.0872 -109958.9756 297.8912 -161793.0627 -109593.0217 297.6260 -152.1351 -124.8284 761178.1801 -0.5107 -0.3499 LDB: ============= START OF LOAD BALANCING ============== 10119.8 LDB: ============== END OF LOAD BALANCING =============== 10119.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10119.8 LDB: ============= START OF LOAD BALANCING ============== 10120.1 LDB: Largest compute 7076 load 0.031476 is 16.1% of average load 0.195660 LDB: Average compute 0.004385 is 2.2% of average load 0.195660 LDB: TIME 10120.1 LOAD: AVG 0.19566 MAX 0.2183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.836 MB LDB: TIME 10120.1 LOAD: AVG 0.19566 MAX 0.2183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: TIME 10120.1 LOAD: AVG 0.19566 MAX 0.2183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.836 MB LDB: ============== END OF LOAD BALANCING =============== 10120.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10120.1 PRESSURE: 3200400 -136.995 -226.948 35.7527 -226.948 -153.229 -129.572 35.7524 -129.573 200.051 GPRESSURE: 3200400 -64.166 -313.199 63.6014 -195.651 -100.983 -215.762 -13.7712 -18.6373 153.237 PRESSAVG: 3200400 -8.4379 -5.06774 21.7984 -5.06775 3.80027 23.5786 21.7983 23.5785 -6.63393 GPRESSAVG: 3200400 -8.33695 -8.26586 20.3036 -5.72545 3.28461 26.0688 23.5499 23.927 -6.18178 TIMING: 3200400 CPU: 10107.9, 0.00321974/step Wall: 10107.9, 0.00321974/step, 1.60951 hours remaining, 236.093750 MB of memory in use. ENERGY: 3200400 3967.0629 20338.0587 14413.3707 240.0185 -203938.4745 2817.4428 0.0000 0.0000 51877.2409 -110285.2799 298.1392 -162162.5208 -109915.5255 297.6530 -30.0580 -3.9706 760048.6903 -3.7572 -3.7447 PRESSURE: 3200600 -73.7516 -146.549 41.1626 -146.55 -312.19 -12.6137 41.1622 -12.6121 -179.199 GPRESSURE: 3200600 -8.18194 -67.6919 53.084 -168.367 -266.315 20.9247 -154.792 86.4329 -200.581 PRESSAVG: 3200600 52.955 -41.8237 75.5782 -41.8237 -24.2746 19.6989 75.5782 19.699 9.63831 GPRESSAVG: 3200600 52.3054 -38.3028 76.2725 -43.4341 -23.5197 18.1902 73.3125 18.8821 9.75796 TIMING: 3200600 CPU: 10108.5, 0.00314692/step Wall: 10108.5, 0.00314692/step, 1.57293 hours remaining, 236.367188 MB of memory in use. ENERGY: 3200600 3955.3871 20619.5903 14391.0933 241.1487 -203705.3839 2599.8592 0.0000 0.0000 51950.6602 -109947.6451 298.5612 -161898.3053 -109584.8172 297.5520 -188.3802 -158.3595 760559.0222 12.7729 12.8479 PRESSURE: 3200800 55.5389 4.64733 54.6231 4.64751 -321.162 21.2483 54.6231 21.2483 -264.011 GPRESSURE: 3200800 62.7892 1.5388 89.87 -73.505 -309.962 12.3676 65.5969 -1.57044 -212.067 PRESSAVG: 3200800 51.6317 -12.9403 -16.7625 -12.9403 -38.0637 17.3664 -16.7625 17.3665 -7.08039 GPRESSAVG: 3200800 51.2531 -13.6753 -17.0234 -13.3212 -37.6512 16.882 -14.5523 18.9374 -6.60736 TIMING: 3200800 CPU: 10109.1, 0.00313048/step Wall: 10109.1, 0.00313048/step, 1.56455 hours remaining, 236.367188 MB of memory in use. ENERGY: 3200800 4049.0172 20424.8008 14373.8697 258.7212 -203526.3570 2733.5894 0.0000 0.0000 51773.2745 -109913.0842 297.5417 -161686.3587 -109553.2475 298.4894 -176.5447 -153.0801 760377.0453 2.1626 2.3315 PRESSURE: 3201000 489.461 179.382 51.722 179.381 86.5389 150.945 51.7216 150.945 245.639 GPRESSURE: 3201000 455.251 82.8595 -36.5455 160.864 170.704 290.371 77.5733 106.544 270.821 PRESSAVG: 3201000 27.7744 -24.7748 36.7411 -24.7748 1.58274 -43.071 36.7411 -43.071 -5.13151 GPRESSAVG: 3201000 27.3697 -26.3204 37.578 -24.2893 2.2689 -40.2881 35.1702 -45.5187 -5.74882 TIMING: 3201000 CPU: 10109.8, 0.00313303/step Wall: 10109.8, 0.00313303/step, 1.56564 hours remaining, 236.367188 MB of memory in use. ENERGY: 3201000 4037.9109 20304.3211 14378.6649 249.7781 -203736.8274 2832.6558 0.0000 0.0000 51969.0253 -109964.4712 298.6667 -161933.4965 -109603.9109 298.7999 273.8796 298.9253 760405.3669 8.0752 7.9633 PRESSURE: 3201200 -229.044 125.65 133.379 125.65 -48.9178 -202.012 133.378 -202.013 113.94 GPRESSURE: 3201200 -139.385 247.516 120.467 74.2112 -47.7911 -162.015 71.4096 -175.147 103.996 PRESSAVG: 3201200 -65.3492 5.30852 14.9788 5.30851 -23.3943 -42.4349 14.9788 -42.435 2.44045 GPRESSAVG: 3201200 -64.9356 7.04442 13.4753 4.22543 -23.5613 -42.9347 16.3052 -42.1437 2.58767 TIMING: 3201200 CPU: 10110.4, 0.00314518/step Wall: 10110.4, 0.00314518/step, 1.57154 hours remaining, 236.367188 MB of memory in use. ENERGY: 3201200 4074.2626 20505.3829 14429.3890 239.5576 -203674.8239 2654.0462 0.0000 0.0000 51915.6724 -109856.5134 298.3601 -161772.1857 -109495.9477 298.3357 -54.6737 -27.7269 761270.1169 -28.7677 -28.6364 PRESSURE: 3201400 178.837 103.803 -37.3215 103.803 -29.359 -173.99 -37.3208 -173.989 -169.146 GPRESSURE: 3201400 137.57 152.561 -39.2383 155.42 -7.36682 -177.359 3.27024 -167.731 -75.7777 PRESSAVG: 3201400 68.5805 16.6574 -0.165806 16.6574 -6.77802 -78.4942 -0.165864 -78.4942 -11.2671 GPRESSAVG: 3201400 69.84 18.2382 0.292427 17.7798 -7.4408 -82.8095 -1.77239 -75.1895 -11.8167 TIMING: 3201400 CPU: 10111, 0.00313316/step Wall: 10111, 0.00313316/step, 1.56536 hours remaining, 236.367188 MB of memory in use. ENERGY: 3201400 3931.0854 20597.5783 14303.0391 245.3343 -203512.3219 2807.3066 0.0000 0.0000 51852.7809 -109775.1973 297.9986 -161627.9782 -109416.6755 298.4704 -6.5557 18.1419 760789.7086 16.8451 16.8609 PRESSURE: 3201600 238.174 1.53517 -248.921 1.53508 -176.373 -63.9301 -248.921 -63.9307 332.131 GPRESSURE: 3201600 268.206 -71.8363 -193.252 107.206 -85.943 -86.2324 -117.633 -158.449 281.149 PRESSAVG: 3201600 38.1494 33.4116 -14.7432 33.4116 -36.4714 -67.2327 -14.7432 -67.2328 -16.9312 GPRESSAVG: 3201600 36.2091 29.915 -14.2283 35.5618 -36.3223 -64.3902 -13.6811 -69.7651 -14.4847 TIMING: 3201600 CPU: 10111.6, 0.00314551/step Wall: 10111.6, 0.00314551/step, 1.57136 hours remaining, 236.367188 MB of memory in use. ENERGY: 3201600 3901.7839 20490.3483 14417.4713 238.0858 -203928.4319 2908.2299 0.0000 0.0000 52234.8715 -109737.6413 300.1945 -161972.5128 -109374.6914 298.5091 131.3106 154.4705 760434.2924 -5.0844 -4.8660 PRESSURE: 3201800 88.0527 -123.485 -138.732 -123.484 368.544 -244.055 -138.732 -244.056 742.271 GPRESSURE: 3201800 164.257 -156.985 -120.227 -92.9642 319.595 -249.462 -32.1287 -117.496 795.324 PRESSAVG: 3201800 23.7564 -36.1481 31.5325 -36.1482 -68.7483 -20.7353 31.5324 -20.7353 21.7855 GPRESSAVG: 3201800 24.8473 -35.3317 30.5551 -38.04 -68.3107 -19.8208 30.8724 -21.2386 20.0669 TIMING: 3201800 CPU: 10112.3, 0.00313569/step Wall: 10112.3, 0.00313569/step, 1.56628 hours remaining, 236.367188 MB of memory in use. ENERGY: 3201800 3944.0818 20598.7600 14433.6153 260.6056 -203493.3066 2670.2762 0.0000 0.0000 52046.3641 -109539.6035 299.1112 -161585.9676 -109177.8072 298.9800 399.6224 426.3922 760213.2699 -7.7355 -7.7988 PRESSURE: 3202000 -325.458 146.662 154.747 146.663 39.3539 -7.47216 154.747 -7.4716 229.093 GPRESSURE: 3202000 -192.726 146.958 92.9255 -9.38462 36.1854 16.2091 75.237 67.2463 187.447 PRESSAVG: 3202000 11.5902 -18.9825 -39.9867 -18.9825 -41.5169 11.5435 -39.9866 11.5435 9.64303 GPRESSAVG: 3202000 11.7831 -19.5208 -40.7461 -19.2211 -42.4247 10.9931 -39.4482 13.1827 10.7949 TIMING: 3202000 CPU: 10112.9, 0.00315809/step Wall: 10112.9, 0.00315809/step, 1.57729 hours remaining, 236.367188 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: 3202000 3941.2182 20736.5854 14373.2570 271.2581 -203454.4464 2746.9493 0.0000 0.0000 51774.1411 -109611.0373 297.5467 -161385.1784 -109256.9763 299.0642 -19.0038 10.3019 760719.4470 -6.7612 -6.6156 PRESSURE: 3202200 -27.0092 -243.124 213.175 -243.124 -156.527 -132.863 213.174 -132.863 51.5305 GPRESSURE: 3202200 -16.8935 -151.283 152.435 -234.602 34.938 -171.685 64.4527 -110.728 -67.9485 PRESSAVG: 3202200 22.9812 -48.586 -16.0228 -48.586 4.24162 1.64874 -16.0228 1.64863 -5.4712 GPRESSAVG: 3202200 22.6297 -45.3809 -16.2335 -48.8858 5.14086 0.255975 -14.8862 -0.098476 -6.12595 TIMING: 3202200 CPU: 10113.5, 0.00316696/step Wall: 10113.5, 0.00316696/step, 1.58155 hours remaining, 236.367188 MB of memory in use. ENERGY: 3202200 3923.6797 20574.9156 14394.0020 212.1022 -203407.9324 2415.8566 0.0000 0.0000 52360.8721 -109526.5042 300.9187 -161887.3762 -109157.1591 298.9649 -44.0019 -16.6347 759163.1107 7.2505 7.2149 PRESSURE: 3202400 -236.98 174.732 -91.6327 174.732 37.7301 -160.706 -91.6332 -160.705 143.142 GPRESSURE: 3202400 -165.832 68.9266 -116.562 313.254 -6.42542 -70.5705 -42.15 -199.868 179.888 PRESSAVG: 3202400 23.8074 -8.82627 5.25403 -8.8263 -39.5742 -7.75476 5.25399 -7.75471 -0.231311 GPRESSAVG: 3202400 24.5061 -12.0993 7.54026 -6.39573 -39.3708 -6.34459 3.62639 -8.56717 -0.932132 TIMING: 3202400 CPU: 10114.2, 0.00314447/step Wall: 10114.2, 0.00314447/step, 1.57014 hours remaining, 236.367188 MB of memory in use. ENERGY: 3202400 4041.4055 20562.6208 14303.8891 251.0766 -203140.9785 2546.8721 0.0000 0.0000 51887.0941 -109548.0203 298.1958 -161435.1143 -109186.2617 299.2086 -18.7027 2.5434 761078.3916 -5.3327 -5.2656 PRESSURE: 3202600 34.5113 94.7767 -29.1374 94.7771 -195.946 -217.414 -29.1367 -217.414 -194 GPRESSURE: 3202600 22.5501 70.7908 7.84687 81.4867 -157 -212.734 2.70676 -136.684 -138.427 PRESSAVG: 3202600 11.7693 3.19421 7.0215 3.19425 -44.7841 17.9542 7.02142 17.9542 -0.789412 GPRESSAVG: 3202600 10.0343 5.51836 5.77478 1.22334 -44.5886 16.828 8.2253 20.6455 0.499695 TIMING: 3202600 CPU: 10114.8, 0.00315893/step Wall: 10114.8, 0.00315893/step, 1.57718 hours remaining, 236.367188 MB of memory in use. ENERGY: 3202600 4054.2786 20313.2601 14407.1402 234.1817 -203348.5340 2730.2074 0.0000 0.0000 52048.3398 -109561.1261 299.1225 -161609.4659 -109199.3219 299.0012 -118.4783 -90.9589 763287.5439 -11.2681 -11.3515 PRESSURE: 3202800 317.478 8.6379 173.146 8.63863 163.104 -70.1914 173.145 -70.1912 248.591 GPRESSURE: 3202800 164.112 26.4106 205.387 18.9203 326.695 -18.4835 -14.2687 -89.0933 331.043 PRESSAVG: 3202800 -11.7682 15.7303 -73.8592 15.7303 4.55229 -14.7085 -73.8591 -14.7085 -3.02605 GPRESSAVG: 3202800 -11.0415 13.4068 -74.2766 17.4407 4.0576 -14.6527 -73.1479 -15.5445 -2.86003 TIMING: 3202800 CPU: 10115.4, 0.00315807/step Wall: 10115.4, 0.00315807/step, 1.57658 hours remaining, 236.433594 MB of memory in use. ENERGY: 3202800 3933.8309 20523.2825 14435.3208 248.6676 -203790.9815 3063.1904 0.0000 0.0000 52145.3453 -109441.3440 299.6800 -161586.6893 -109076.4142 298.9745 243.0578 273.9501 761941.2756 -3.4140 -3.2813 PRESSURE: 3203000 -213.468 210.849 13.1245 210.849 -5.88359 68.2745 13.1248 68.2741 -341.451 GPRESSURE: 3203000 -184.264 114.816 56.2925 205.544 -33.0125 93.446 -124.396 -56.7092 -274.052 PRESSAVG: 3203000 46.6386 -63.3608 -2.7578 -63.3608 20.7616 19.7191 -2.75779 19.7192 -12.8382 GPRESSAVG: 3203000 47.6007 -63.1329 -1.63699 -64.2791 20.029 17.8398 -3.65145 19.2865 -12.8216 TIMING: 3203000 CPU: 10116.1, 0.0031522/step Wall: 10116.1, 0.0031522/step, 1.57347 hours remaining, 236.433594 MB of memory in use. ENERGY: 3203000 4045.5857 20416.3340 14394.2923 236.1283 -203316.5870 2624.2197 0.0000 0.0000 52285.4528 -109314.5744 300.4852 -161600.0271 -108945.7577 299.2918 -186.9341 -163.7761 763439.1686 18.1873 18.2694 PRESSURE: 3203200 331.328 51.5264 96.4761 51.526 0.894137 -190.043 96.4766 -190.044 159.879 GPRESSURE: 3203200 311.59 -2.19691 119.347 21.6037 22.6354 -240.194 152.042 -98.916 235.71 PRESSAVG: 3203200 3.95938 1.81179 -97.3795 1.81187 -11.8411 -28.8727 -97.3794 -28.8726 10.8019 GPRESSAVG: 3203200 3.78097 3.23013 -99.0064 3.0614 -12.6243 -27.1358 -97.1234 -27.2198 11.0711 TIMING: 3203200 CPU: 10116.7, 0.00312988/step Wall: 10116.7, 0.00312988/step, 1.56216 hours remaining, 236.433594 MB of memory in use. ENERGY: 3203200 4034.4806 20486.3892 14336.2334 237.3836 -203471.9331 3048.1210 0.0000 0.0000 52075.9262 -109253.3992 299.2811 -161329.3254 -108895.2898 299.6088 164.0336 189.9785 761814.8281 0.9734 0.7426 PRESSURE: 3203400 168.061 90.1295 -74.2174 90.129 -43.2402 -159.04 -74.2176 -159.04 188.907 GPRESSURE: 3203400 264.72 9.09732 -34.945 -25.6107 10.6369 -206.386 -34.5073 -148.272 118.314 PRESSAVG: 3203400 -3.80812 34.1835 -52.139 34.1834 -33.7363 31.4949 -52.139 31.4949 12.4469 GPRESSAVG: 3203400 -4.08781 34.4494 -50.418 30.9495 -33.11 32.0291 -52.1077 29.2948 12.5538 TIMING: 3203400 CPU: 10117.3, 0.00313887/step Wall: 10117.3, 0.00313887/step, 1.56647 hours remaining, 236.433594 MB of memory in use. ENERGY: 3203400 4000.8558 20541.2847 14362.7964 253.8202 -203339.8254 2745.3180 0.0000 0.0000 52144.5151 -109291.2351 299.6752 -161435.7503 -108937.8440 299.4449 104.5758 131.2234 761627.4805 -8.3658 -8.2147 PRESSURE: 3203600 -57.9733 -98.5362 125.927 -98.5361 -397.474 -71.7606 125.927 -71.7606 -181.279 GPRESSURE: 3203600 -57.8453 -36.2135 161.505 -13.3299 -309.072 -86.1335 -22.1554 65.8596 -203.206 PRESSAVG: 3203600 73.4581 19.7322 -101.221 19.7322 -50.3899 -26.2414 -101.221 -26.2414 -6.12386 GPRESSAVG: 3203600 73.2628 19.089 -101.231 21.8662 -48.8732 -26.3412 -102.793 -25.7516 -7.60427 TIMING: 3203600 CPU: 10118, 0.0031765/step Wall: 10118, 0.0031765/step, 1.58507 hours remaining, 236.433594 MB of memory in use. ENERGY: 3203600 3954.0235 20556.5109 14387.1052 259.3032 -202958.6457 2317.4163 0.0000 0.0000 52207.8189 -109276.4678 300.0391 -161484.2867 -108917.5236 299.6424 -212.2419 -190.0412 762798.4481 5.6481 5.5951 PRESSURE: 3203800 248.581 14.5432 -182.019 14.5439 9.04919 115.064 -182.02 115.064 -156.763 GPRESSURE: 3203800 356.736 120.409 -59.0358 -13.5451 -63.6476 91.8467 -197.32 132.107 -112.205 PRESSAVG: 3203800 16.1124 43.9674 -20.3729 43.9674 -25.9571 -18.7529 -20.3729 -18.7529 19.3314 GPRESSAVG: 3203800 15.4636 41.9342 -20.7324 44.9511 -27.0508 -19.353 -18.478 -18.2218 20.2222 TIMING: 3203800 CPU: 10118.6, 0.00319617/step Wall: 10118.6, 0.00319617/step, 1.59471 hours remaining, 236.503906 MB of memory in use. ENERGY: 3203800 4013.0867 20716.6614 14333.7561 250.4287 -203331.0490 2808.8861 0.0000 0.0000 52076.3295 -109131.9006 299.2834 -161208.2301 -108775.9536 299.8080 33.6223 60.2942 763277.9930 3.1622 2.8783 PRESSURE: 3204000 25.9245 -110.194 -245.009 -110.195 19.7259 -18.9116 -245.01 -18.9131 -14.688 GPRESSURE: 3204000 15.5723 -42.0089 -96.8355 -157.409 38.9135 53.7157 -197.145 7.66873 38.2005 PRESSAVG: 3204000 37.0404 15.6873 -24.3925 15.6872 1.4557 -15.3571 -24.3925 -15.3571 -5.46055 GPRESSAVG: 3204000 36.6795 18.6278 -23.9628 10.3826 0.753967 -14.197 -24.4564 -16.2163 -4.99546 TIMING: 3204000 CPU: 10119.2, 0.00316984/step Wall: 10119.2, 0.00316984/step, 1.5814 hours remaining, 236.503906 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: 3204000 4007.2244 20613.6217 14346.5570 251.6831 -203657.7111 2971.4385 0.0000 0.0000 52174.4940 -109292.6925 299.8475 -161467.1865 -108930.3617 300.2458 10.3208 30.8954 761581.6074 11.0119 10.8127 PRESSURE: 3204200 -249.284 149.272 81.5001 149.272 -20.7248 -25.8279 81.4997 -25.8294 -104.341 GPRESSURE: 3204200 -101.861 83.8227 6.92981 173.866 -20.4437 -29.4832 -108.547 -50.4068 -172.61 PRESSAVG: 3204200 39.4846 -15.4812 -39.8596 -15.4813 -59.0443 -25.6206 -39.8596 -25.6206 -8.62113 GPRESSAVG: 3204200 41.0089 -15.6475 -40.24 -12.0929 -60.6171 -28.2273 -40.1127 -25.5597 -9.15194 TIMING: 3204200 CPU: 10119.9, 0.00318481/step Wall: 10119.9, 0.00318481/step, 1.58869 hours remaining, 236.503906 MB of memory in use. ENERGY: 3204200 3906.2711 20646.5211 14464.0185 263.5009 -203189.9468 2499.6467 0.0000 0.0000 52142.2949 -109267.6936 299.6625 -161409.9885 -108906.5159 299.8948 -124.7830 -98.3049 761933.4516 -9.3936 -9.5867 LDB: ============= START OF LOAD BALANCING ============== 10132.4 LDB: ============== END OF LOAD BALANCING =============== 10132.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10132.4 LDB: ============= START OF LOAD BALANCING ============== 10132.7 LDB: Largest compute 7076 load 0.032458 is 16.6% of average load 0.195690 LDB: Average compute 0.004385 is 2.2% of average load 0.195690 LDB: TIME 10132.7 LOAD: AVG 0.19569 MAX 0.214521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.461 MB LDB: TIME 10132.7 LOAD: AVG 0.19569 MAX 0.214521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.555 MB LDB: TIME 10132.7 LOAD: AVG 0.19569 MAX 0.214521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.555 MB LDB: ============== END OF LOAD BALANCING =============== 10132.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10132.7 PRESSURE: 3204400 -191.009 -24.6023 -60.8577 -24.6023 -95.9825 32.9359 -60.8582 32.9359 -145.599 GPRESSURE: 3204400 -102.188 -100.972 -23.6863 25.4617 -97.1451 -45.0712 -135.008 128.386 -148.531 PRESSAVG: 3204400 25.6349 28.7036 6.16065 28.7035 -29.7881 -3.60823 6.16062 -3.60834 -3.98633 GPRESSAVG: 3204400 25.8101 28.7011 7.58636 28.4163 -28.7495 -1.83406 4.77458 -2.20493 -5.57041 TIMING: 3204400 CPU: 10120.5, 0.00324322/step Wall: 10120.5, 0.00324322/step, 1.61764 hours remaining, 235.453125 MB of memory in use. ENERGY: 3204400 4040.7516 20448.0394 14393.5266 252.0278 -203444.2677 2689.6432 0.0000 0.0000 52436.0866 -109184.1925 301.3509 -161620.2791 -108815.9239 299.3941 -144.1968 -115.9546 763606.3050 -2.7132 -2.8366 PRESSURE: 3204600 184.01 -6.41001 -25.4626 -6.40973 207.052 -24.3046 -25.4619 -24.3049 174.185 GPRESSURE: 3204600 189.319 104.849 -107.91 184.606 241.318 -76.2848 -126.876 -39.2475 224.404 PRESSAVG: 3204600 -7.46549 5.67423 -7.06215 5.6742 5.22026 -5.88507 -7.06212 -5.88509 -4.88406 GPRESSAVG: 3204600 -10.4655 5.72055 -9.03584 6.25075 5.92855 -6.51848 -6.27483 -5.56475 -3.29343 TIMING: 3204600 CPU: 10121.2, 0.00321483/step Wall: 10121.2, 0.00321483/step, 1.60331 hours remaining, 235.656250 MB of memory in use. ENERGY: 3204600 3952.4839 20439.8881 14410.3456 230.0188 -203410.8672 2828.6048 0.0000 0.0000 52438.5512 -109110.9747 301.3651 -161549.5259 -108739.1903 299.8512 188.4159 218.3471 760178.0075 -2.3764 -2.6101 PRESSURE: 3204800 3.50856 5.02441 -183.449 5.02586 -120.178 51.4519 -183.449 51.4505 -254.998 GPRESSURE: 3204800 -1.6606 -20.0121 -234.989 -125.959 -72.7739 35.8576 -131.112 39.7313 -197.749 PRESSAVG: 3204800 22.8211 -12.3116 -34.0568 -12.3115 -51.8333 12.8892 -34.0567 12.8891 -9.45216 GPRESSAVG: 3204800 22.8353 -14.5372 -34.161 -11.2215 -51.6155 12.5487 -34.3468 13.5815 -10.4301 TIMING: 3204800 CPU: 10121.8, 0.00318359/step Wall: 10121.8, 0.00318359/step, 1.58755 hours remaining, 235.656250 MB of memory in use. ENERGY: 3204800 3957.7775 20567.1173 14398.9349 240.7141 -203174.9344 2634.5869 0.0000 0.0000 52077.2305 -109298.5731 299.2886 -161375.8036 -108927.5358 299.8023 -123.8892 -90.7277 761712.5380 -12.8215 -13.0701 PRESSURE: 3205000 -25.4716 -36.4221 -102.384 -36.4224 347.637 -19.1188 -102.385 -19.117 -435.056 GPRESSURE: 3205000 47.9658 -20.9466 -84.6702 -36.8581 286.21 -74.3963 -36.2933 26.035 -365.517 PRESSAVG: 3205000 29.5562 -30.9045 17.3839 -30.9045 -36.266 20.112 17.3838 20.112 -5.79684 GPRESSAVG: 3205000 30.8341 -28.0099 16.9039 -31.6071 -37.3958 19.8769 17.9362 19.3501 -6.20652 TIMING: 3205000 CPU: 10122.4, 0.00317809/step Wall: 10122.4, 0.00317809/step, 1.58463 hours remaining, 235.656250 MB of memory in use. ENERGY: 3205000 3932.7867 20529.6662 14445.5605 238.2235 -203236.1155 2632.6837 0.0000 0.0000 52233.0815 -109224.1134 300.1842 -161457.1949 -108848.9764 299.6936 -37.6301 -10.4470 761797.9046 -4.1689 -4.2561 PRESSURE: 3205200 -137.656 38.0213 -243.491 38.0215 -30.5735 -143.5 -243.49 -143.5 -244.735 GPRESSURE: 3205200 -89.2158 -16.588 -273.547 13.7816 14.4148 -17.2929 -188.006 -2.94774 -270.361 PRESSAVG: 3205200 23.2098 38.7596 -96.4707 38.7597 -25.1769 -39.9798 -96.4707 -39.9798 11.4897 GPRESSAVG: 3205200 22.4734 36.9459 -95.5005 37.8985 -25.1426 -40.2878 -95.401 -39.5595 12.0926 TIMING: 3205200 CPU: 10123.1, 0.0031767/step Wall: 10123.1, 0.0031767/step, 1.58376 hours remaining, 235.656250 MB of memory in use. ENERGY: 3205200 4002.5730 20426.8791 14460.7853 241.4763 -203338.5243 2732.5914 0.0000 0.0000 52320.7951 -109153.4240 300.6883 -161474.2191 -108790.2396 299.8036 -137.6547 -115.0541 762043.1506 3.1742 3.1411 PRESSURE: 3205400 -85.1641 27.8136 -14.5357 27.8123 -37.8244 78.3925 -14.5358 78.3926 -61.1099 GPRESSURE: 3205400 -25.3412 -64.1294 39.3711 -113.47 -44.5001 53.5532 -41.7058 53.3068 -11.5238 PRESSAVG: 3205400 21.8478 -2.83064 -87.8927 -2.83068 -15.9653 -13.7791 -87.8927 -13.7791 -1.98055 GPRESSAVG: 3205400 21.0268 -1.45214 -88.126 -2.13359 -15.375 -12.8833 -87.7945 -14.382 -1.31451 TIMING: 3205400 CPU: 10123.7, 0.00318295/step Wall: 10123.7, 0.00318295/step, 1.5867 hours remaining, 235.656250 MB of memory in use. ENERGY: 3205400 4050.8214 20596.1930 14451.5938 233.0306 -202836.7782 2388.2095 0.0000 0.0000 51910.3335 -109206.5964 298.3294 -161116.9298 -108852.8159 299.7122 -61.3661 -27.1217 762839.9861 1.3006 1.4458 PRESSURE: 3205600 -496.294 -11.5283 83.4687 -11.5284 -352.626 -69.5609 83.4684 -69.5624 -443.538 GPRESSURE: 3205600 -553.768 96.8001 72.6754 -20.6607 -254.451 -11.435 339.811 -172.908 -393.439 PRESSAVG: 3205600 10.5697 -0.304722 -31.4359 -0.304688 -5.92128 17.2594 -31.436 17.2594 -3.27583 GPRESSAVG: 3205600 10.7399 0.347482 -29.4998 -3.19496 -6.22609 16.943 -32.5676 18.6777 -3.58446 TIMING: 3205600 CPU: 10124.3, 0.00319275/step Wall: 10124.3, 0.00319275/step, 1.59141 hours remaining, 235.656250 MB of memory in use. ENERGY: 3205600 4010.7646 20435.9613 14428.3074 250.3234 -202819.3671 2314.4461 0.0000 0.0000 52232.2118 -109147.3524 300.1792 -161379.5642 -108779.2186 299.8138 -430.8194 -400.5528 763046.6516 0.4575 0.3098 PRESSURE: 3205800 -142.34 -104.027 85.9199 -104.027 -158.979 193.791 85.9201 193.791 127.311 GPRESSURE: 3205800 -76.3361 -136.801 155.585 -95.6752 -131.616 214.043 79.8171 22.1421 119.969 PRESSAVG: 3205800 24.9911 -3.55159 25.9187 -3.55156 -5.339 5.45076 25.9187 5.45071 16.9147 GPRESSAVG: 3205800 25.6429 -3.58971 22.8433 -1.76659 -5.59523 4.96836 27.0915 4.57111 17.1734 TIMING: 3205800 CPU: 10125, 0.00316823/step Wall: 10125, 0.00316823/step, 1.57901 hours remaining, 235.656250 MB of memory in use. ENERGY: 3205800 4038.7448 20547.6338 14376.4290 270.0608 -202858.5585 2541.7239 0.0000 0.0000 51872.2375 -109211.7287 298.1105 -161083.9662 -108873.0384 299.6244 -58.0026 -29.3276 761525.3686 12.1889 12.4070 PRESSURE: 3206000 68.9295 -144.128 -26.0552 -144.128 226.757 -205.209 -26.055 -205.209 -230.725 GPRESSURE: 3206000 166.337 -173.181 78.8443 -128.797 187.827 -248.016 -81.9188 -203.935 -231.134 PRESSAVG: 3206000 22.7859 -14.3118 -27.8248 -14.3118 -9.91456 11.0789 -27.8248 11.0788 22.8002 GPRESSAVG: 3206000 22.5758 -14.9456 -25.8529 -14.6954 -10.4492 10.8834 -29.0412 12.1359 23.2713 TIMING: 3206000 CPU: 10125.6, 0.00317861/step Wall: 10125.6, 0.00317861/step, 1.58401 hours remaining, 235.656250 MB of memory 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 3987.8939 20585.3839 14340.4873 245.7025 -203385.7551 2730.2022 0.0000 0.0000 52235.1841 -109260.9013 300.1963 -161496.0853 -108897.3983 299.9057 21.6538 41.0102 762630.2577 11.8905 11.7993 PRESSURE: 3206200 38.2549 109.052 -57.9559 109.052 -299.517 -4.60102 -57.9565 -4.60148 -261.896 GPRESSURE: 3206200 123.324 -25.2461 -76.3996 55.7588 -267.759 10.9193 -90.6308 -94.6568 -298.501 PRESSAVG: 3206200 0.168065 -12.2792 -21.2423 -12.2792 6.31538 11.4947 -21.2423 11.4946 -10.9793 GPRESSAVG: 3206200 0.215051 -13.4003 -22.8129 -10.5086 7.75835 11.3679 -21.6402 12.1645 -11.8041 TIMING: 3206200 CPU: 10126.2, 0.00316467/step Wall: 10126.2, 0.00316467/step, 1.57689 hours remaining, 235.656250 MB of memory in use. ENERGY: 3206200 3973.4135 20641.0187 14422.0596 236.3277 -203190.9079 2474.4035 0.0000 0.0000 52005.6655 -109438.0195 298.8773 -161443.6849 -109074.1124 299.5118 -174.3863 -147.6452 763620.5391 -1.4986 -1.2769 PRESSURE: 3206400 19.9101 -60.3218 -40.6889 -60.3219 498.493 281.405 -40.6893 281.405 54.0321 GPRESSURE: 3206400 60.6361 -56.589 -37.422 -49.22 470.931 250.49 -33.4703 444.314 130.136 PRESSAVG: 3206400 -21.6363 56.2608 -41.8299 56.2608 17.8422 37.3854 -41.8298 37.3855 -5.59649 GPRESSAVG: 3206400 -21.7346 56.7786 -39.6374 54.9073 16.6184 38.1245 -41.4862 35.4863 -4.16142 TIMING: 3206400 CPU: 10126.9, 0.00314652/step Wall: 10126.9, 0.00314652/step, 1.56767 hours remaining, 235.656250 MB of memory in use. ENERGY: 3206400 3914.8371 20447.2313 14294.8983 245.4812 -203741.2910 3134.8145 0.0000 0.0000 51955.1014 -109748.9271 298.5867 -161704.0285 -109381.0732 298.8478 190.8117 220.5677 762951.5066 -3.1302 -3.0925 PRESSURE: 3206600 -13.8663 243.041 -3.37609 243.041 166.592 12.8501 -3.37633 12.8493 -539.848 GPRESSURE: 3206600 64.7952 161.153 31.5594 43.6846 183.56 -55.5043 -89.5112 174.813 -529.93 PRESSAVG: 3206600 -3.35337 -20.6205 -28.6424 -20.6205 26.4907 46.4894 -28.6425 46.4893 -15.6338 GPRESSAVG: 3206600 -2.09753 -19.4066 -28.7914 -20.1202 26.9668 46.6135 -28.3977 48.5646 -16.7284 TIMING: 3206600 CPU: 10127.5, 0.00315489/step Wall: 10127.5, 0.00315489/step, 1.57166 hours remaining, 235.656250 MB of memory in use. ENERGY: 3206600 3963.4453 20406.2682 14286.0683 236.8956 -203689.0044 2928.2876 0.0000 0.0000 51890.9773 -109977.0621 298.2182 -161868.0394 -109613.5272 297.8613 -129.0408 -93.8583 760196.2129 2.5012 2.7136 PRESSURE: 3206800 110.664 -5.9983 -33.875 -5.99757 58.8072 -88.5339 -33.8746 -88.533 60.1711 GPRESSURE: 3206800 191.006 -30.7195 -162.504 17.0685 51.4351 19.5635 -38.7119 -124.011 67.0517 PRESSAVG: 3206800 -20.6236 11.4647 -10.9827 11.4647 46.4103 42.0048 -10.9827 42.0048 -2.85359 GPRESSAVG: 3206800 -20.6218 11.0875 -12.7464 10.8707 46.8434 42.4361 -8.76369 40.2394 -3.15064 TIMING: 3206800 CPU: 10128.1, 0.00316998/step Wall: 10128.1, 0.00316998/step, 1.579 hours remaining, 235.656250 MB of memory in use. ENERGY: 3206800 3973.3033 20392.3850 14325.3912 239.9640 -203784.4967 2817.6644 0.0000 0.0000 52111.0840 -109924.7047 299.4831 -162035.7887 -109560.3500 298.4463 76.5475 103.1642 760187.3612 7.6444 7.6903 PRESSURE: 3207000 18.7421 265.084 207.808 265.084 42.5019 14.8733 207.808 14.8739 -259.92 GPRESSURE: 3207000 -36.3786 129.548 208.582 201.199 200.091 3.34487 173.426 58.3004 -282.56 PRESSAVG: 3207000 -41.6858 65.2729 -33.7224 65.2729 43.5567 8.77405 -33.7224 8.77404 -1.76034 GPRESSAVG: 3207000 -41.413 63.4099 -32.3562 67.7183 43.7899 9.15677 -35.175 8.7848 -1.89699 TIMING: 3207000 CPU: 10128.8, 0.00314285/step Wall: 10128.8, 0.00314285/step, 1.56531 hours remaining, 235.656250 MB of memory in use. ENERGY: 3207000 3984.3459 20536.3593 14332.5917 240.2448 -203704.5550 2783.6386 0.0000 0.0000 51937.2815 -109890.0932 298.4843 -161827.3747 -109535.1789 298.6646 -66.2253 -39.6158 760244.8613 0.0369 0.1600 PRESSURE: 3207200 -153.232 19.5952 -89.4996 19.5953 -8.14531 135.883 -89.4996 135.883 -284.725 GPRESSURE: 3207200 -207.435 45.9315 -181.88 63.296 69.8985 204.484 -102.854 55.7949 -227.678 PRESSAVG: 3207200 -35.2728 30.8335 58.7785 30.8334 26.3543 -47.5932 58.7785 -47.5933 20.9805 GPRESSAVG: 3207200 -35.3864 32.7053 56.6632 27.0546 25.1736 -48.32 58.123 -48.8019 22.2164 TIMING: 3207200 CPU: 10129.4, 0.00314969/step Wall: 10129.4, 0.00314969/step, 1.56854 hours remaining, 235.656250 MB of memory in use. ENERGY: 3207200 3965.2737 20407.7572 14328.5005 237.2948 -203725.6210 2707.0391 0.0000 0.0000 52128.2723 -109951.4833 299.5819 -162079.7557 -109583.4543 298.1232 -148.7006 -121.7383 762910.5831 4.0207 4.0012 PRESSURE: 3207400 44.132 -49.125 171.721 -49.1247 161.892 144.577 171.722 144.578 201.448 GPRESSURE: 3207400 67.564 -58.2981 179.314 -120.45 260.443 162.084 93.172 -2.83729 164.376 PRESSAVG: 3207400 -6.04922 4.28174 -22.5115 4.28179 -26.3679 48.2589 -22.5116 48.2589 -2.43357 GPRESSAVG: 3207400 -5.87967 4.24037 -20.3309 5.37302 -25.2059 49.2827 -23.8543 47.3363 -3.15977 TIMING: 3207400 CPU: 10130, 0.00314064/step Wall: 10130, 0.00314064/step, 1.56386 hours remaining, 235.656250 MB of memory in use. ENERGY: 3207400 3899.7361 20543.7207 14365.0377 235.2071 -203435.3052 2542.7555 0.0000 0.0000 51795.1558 -110053.6923 297.6675 -161848.8481 -109692.6987 297.9636 135.8240 164.1278 761635.1505 -11.6169 -11.4151 PRESSURE: 3207600 167.968 107.213 -100.157 107.213 444.55 -79.2781 -100.157 -79.2771 381.528 GPRESSURE: 3207600 241.733 -26.7057 -172.609 21.1617 448.077 -149.741 -135.855 29.7953 397.521 PRESSAVG: 3207600 37.3327 8.01413 28.9724 8.01403 -35.4368 3.22447 28.9725 3.2245 1.10485 GPRESSAVG: 3207600 37.8107 7.57628 29.9123 8.05364 -36.4512 2.71961 28.8161 5.14644 1.14545 TIMING: 3207600 CPU: 10130.7, 0.00314676/step Wall: 10130.7, 0.00314676/step, 1.56674 hours remaining, 235.656250 MB of memory in use. ENERGY: 3207600 3940.3878 20329.1625 14395.7782 239.5371 -204013.5349 3183.2864 0.0000 0.0000 51696.0682 -110229.3147 297.0980 -161925.3829 -109871.5161 297.4037 331.3486 362.4436 761306.4229 1.0003 0.8350 PRESSURE: 3207800 -63.7753 -259.232 124.32 -259.232 -242.133 36.9359 124.319 36.9346 -220.525 GPRESSURE: 3207800 13.3785 -338.674 170.258 -270.086 -260.84 47.9037 -20.3615 81.0314 -178.725 PRESSAVG: 3207800 16.6222 -23.0929 -34.3526 -23.093 -4.12374 18.5131 -34.3527 18.5131 -14.5225 GPRESSAVG: 3207800 17.0915 -23.8638 -35.2375 -23.7525 -4.48791 19.0413 -36.0528 19.5632 -15.2586 TIMING: 3207800 CPU: 10131.3, 0.00315975/step Wall: 10131.3, 0.00315975/step, 1.57303 hours remaining, 235.656250 MB of memory in use. ENERGY: 3207800 3958.4307 20330.1153 14355.1372 266.6092 -203578.7345 2777.1086 0.0000 0.0000 51577.3077 -110314.0258 296.4155 -161891.3335 -109957.6481 297.3869 -175.4774 -142.0621 763095.4656 -0.6747 -0.8850 PRESSURE: 3208000 -2.49654 -46.7147 78.8917 -46.7148 -325.318 66.0111 78.8916 66.0103 -462.991 GPRESSURE: 3208000 38.8454 -19.7506 115.705 -22.4139 -310.405 50.4938 79.6154 109.582 -415.491 PRESSAVG: 3208000 2.92399 -22.5181 -11.8018 -22.5182 33.5197 10.7443 -11.8018 10.7442 -4.28648 GPRESSAVG: 3208000 2.77439 -21.4962 -15.0961 -24.9143 33.2688 10.9241 -9.77486 9.62782 -3.67762 TIMING: 3208000 CPU: 10131.9, 0.00315865/step Wall: 10131.9, 0.00315865/step, 1.57231 hours remaining, 235.656250 MB of memory 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 4041.0466 20237.9862 14352.4696 248.4442 -203579.2436 2917.4493 0.0000 0.0000 51644.7638 -110137.0838 296.8032 -161781.8475 -109777.4273 297.1829 -263.6020 -229.0167 762269.6503 10.7191 10.7885 PRESSURE: 3208200 113.882 28.1487 -157.33 28.1481 90.1936 -67.6065 -157.33 -67.6066 -483.213 GPRESSURE: 3208200 135.046 1.68619 -121.018 -55.1783 129.317 -38.8971 -168.443 -24.7685 -450.633 PRESSAVG: 3208200 30.7672 -26.6162 14.9042 -26.6162 -48.8886 60.423 14.9041 60.423 7.59199 GPRESSAVG: 3208200 30.2681 -27.0059 18.5905 -24.0144 -47.9926 61.4648 13.6832 59.5455 7.47167 TIMING: 3208200 CPU: 10132.5, 0.00315325/step Wall: 10132.5, 0.00315325/step, 1.56944 hours remaining, 235.656250 MB of memory in use. ENERGY: 3208200 3969.3654 20338.2004 14398.7773 246.2415 -203500.2172 2615.3043 0.0000 0.0000 51928.1023 -110004.2260 298.4315 -161932.3283 -109646.4595 297.7053 -93.0458 -62.0901 761967.5171 -3.5098 -3.4176 LDB: ============= START OF LOAD BALANCING ============== 10145.1 LDB: ============== END OF LOAD BALANCING =============== 10145.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10145.1 LDB: ============= START OF LOAD BALANCING ============== 10145.4 LDB: Largest compute 7057 load 0.033090 is 16.9% of average load 0.195705 LDB: Average compute 0.004373 is 2.2% of average load 0.195705 LDB: TIME 10145.4 LOAD: AVG 0.195705 MAX 0.214805 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.484 MB LDB: TIME 10145.4 LOAD: AVG 0.195705 MAX 0.214805 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.484 MB LDB: TIME 10145.4 LOAD: AVG 0.195705 MAX 0.214805 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.484 MB LDB: ============== END OF LOAD BALANCING =============== 10145.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10145.4 PRESSURE: 3208400 -66.6415 -25.5478 -119.084 -25.5481 18.2561 94.4061 -119.084 94.4055 -145.673 GPRESSURE: 3208400 -44.4492 9.86767 -175.107 -96.3071 -18.8591 2.99772 18.6775 164.692 -47.332 PRESSAVG: 3208400 -18.0229 8.27102 37.642 8.27092 40.278 -1.20835 37.642 -1.20838 -3.65797 GPRESSAVG: 3208400 -16.6947 8.7045 36.5551 7.72204 40.5183 -2.26924 39.5403 -2.05585 -4.82514 TIMING: 3208400 CPU: 10133.2, 0.00319692/step Wall: 10133.2, 0.00319692/step, 1.591 hours remaining, 236.164062 MB of memory in use. ENERGY: 3208400 3960.9463 20372.9722 14397.4442 245.3964 -203684.8637 2851.1792 0.0000 0.0000 51847.5194 -110009.4060 297.9684 -161856.9254 -109642.8058 297.5023 -64.6862 -36.8801 761969.9824 6.1991 6.3328 PRESSURE: 3208600 -300.599 -55.6208 83.1768 -55.6208 -307.404 69.078 83.1771 69.0772 -114.891 GPRESSURE: 3208600 -223.244 -34.9399 -6.79129 -239.032 -243.794 133.222 134.657 -38.0113 -143.391 PRESSAVG: 3208600 85.5287 -7.05707 -16.4812 -7.05707 -78.6213 19.0241 -16.4813 19.0242 -20.3889 GPRESSAVG: 3208600 84.5576 -9.03738 -17.67 -7.43376 -76.8342 19.7612 -17.281 19.787 -20.8083 TIMING: 3208600 CPU: 10133.8, 0.00315289/step Wall: 10133.8, 0.00315289/step, 1.56891 hours remaining, 236.234375 MB of memory in use. ENERGY: 3208600 4000.4350 20397.0391 14314.1262 265.0344 -203347.0962 2337.3860 0.0000 0.0000 51957.2208 -110075.8547 298.5989 -162033.0755 -109714.7824 297.6059 -240.9645 -203.4762 763008.3067 -4.4939 -4.3617 PRESSURE: 3208800 -19.1845 108.633 -272.601 108.633 122.074 -31.8279 -272.603 -31.8276 -390.295 GPRESSURE: 3208800 123.28 147.348 -231.675 121.395 24.7867 -27.2659 -319.968 -52.6576 -341.766 PRESSAVG: 3208800 -5.96597 8.99514 6.28712 8.99518 -54.089 27.4474 6.28716 27.4474 -8.35793 GPRESSAVG: 3208800 -6.99777 10.4529 5.79825 10.3329 -55.2528 27.9102 7.62179 28.6462 -6.19853 TIMING: 3208800 CPU: 10134.4, 0.00312758/step Wall: 10134.4, 0.00312758/step, 1.55615 hours remaining, 236.234375 MB of memory in use. ENERGY: 3208800 3939.7445 20311.4752 14342.9914 262.5167 -203379.4474 2696.8417 0.0000 0.0000 51761.9022 -110063.9756 297.4764 -161825.8778 -109700.3212 297.4950 -95.8019 -64.5665 761873.4483 -22.8043 -22.8164 PRESSURE: 3209000 48.2604 -57.5363 306.857 -57.537 171.285 41.996 306.857 41.9964 303.132 GPRESSURE: 3209000 23.5193 -94.5465 264.101 22.7177 225.785 164.842 219.112 -98.4387 355.878 PRESSAVG: 3209000 26.4043 -30.5019 -45.4547 -30.5019 -65.9481 -15.9847 -45.4547 -15.9847 28.9353 GPRESSAVG: 3209000 27.142 -29.9417 -44.8669 -32.0257 -65.7625 -19.0744 -47.5276 -15.4076 28.5745 TIMING: 3209000 CPU: 10135.1, 0.00313685/step Wall: 10135.1, 0.00313685/step, 1.56058 hours remaining, 236.234375 MB of memory in use. ENERGY: 3209000 3862.1948 20372.6890 14318.3007 246.0727 -203683.0071 2913.7411 0.0000 0.0000 51990.1633 -109979.8454 298.7882 -161970.0087 -109608.6459 297.6958 174.2259 201.7274 762259.8242 -3.5362 -3.3486 PRESSURE: 3209200 -156.732 101.406 -403.062 101.405 286.31 50.1737 -403.062 50.1745 524.875 GPRESSURE: 3209200 17.9 90.7313 -261.625 -9.11261 250.644 -13.8822 -361.753 169.845 466.579 PRESSAVG: 3209200 -16.807 -18.0942 -64.7673 -18.0942 5.23673 23.4624 -64.7673 23.4625 -13.6955 GPRESSAVG: 3209200 -16.1579 -19.6053 -63.3389 -15.2506 4.27777 25.6974 -65.0956 23.2994 -13.8132 TIMING: 3209200 CPU: 10135.7, 0.00313603/step Wall: 10135.7, 0.00313603/step, 1.56 hours remaining, 236.234375 MB of memory in use. ENERGY: 3209200 3987.7362 20352.4480 14292.5003 234.9127 -203781.3175 2926.5349 0.0000 0.0000 52050.9677 -109936.2177 299.1376 -161987.1855 -109563.1269 298.3667 218.1510 245.0409 760680.2358 -8.4219 -8.5644 PRESSURE: 3209400 326.054 120.69 -173.636 120.691 -32.0939 -268.039 -173.635 -268.038 447.394 GPRESSURE: 3209400 388.582 155.369 -159.535 143.228 -33.3046 -169.67 -117.005 -283.22 464.675 PRESSAVG: 3209400 -27.7513 0.435783 -28.7941 0.435774 -9.78433 -44.816 -28.7942 -44.816 0.108206 GPRESSAVG: 3209400 -27.8274 2.5923 -31.1408 -1.02123 -10.934 -44.3769 -25.4608 -45.3123 1.12704 TIMING: 3209400 CPU: 10136.3, 0.00313513/step Wall: 10136.3, 0.00313513/step, 1.55938 hours remaining, 236.234375 MB of memory in use. ENERGY: 3209400 3948.6364 20404.8009 14403.6620 218.8394 -203447.2180 2856.9632 0.0000 0.0000 51726.5786 -109887.7375 297.2734 -161614.3161 -109523.6825 298.0099 247.1179 273.3175 760809.7810 -12.4758 -12.5448 PRESSURE: 3209600 -48.7842 -126.955 -19.1447 -126.955 -400.769 -113.024 -19.145 -113.023 -377.698 GPRESSURE: 3209600 -5.29172 -116.343 -45.88 -114.624 -275.899 -102.334 28.1631 -132.25 -439.84 PRESSAVG: 3209600 -16.9027 -0.854399 -35.3108 -0.854363 24.1655 -7.33598 -35.3107 -7.33605 3.94987 GPRESSAVG: 3209600 -17.7812 -3.52243 -33.0533 -1.80381 25.732 -7.92928 -37.126 -7.08281 3.29665 TIMING: 3209600 CPU: 10137, 0.0031574/step Wall: 10137, 0.0031574/step, 1.57028 hours remaining, 236.234375 MB of memory in use. ENERGY: 3209600 4041.7116 20456.6575 14407.6613 246.8563 -203396.2301 2249.4926 0.0000 0.0000 52054.4800 -109939.3707 299.1578 -161993.8508 -109573.4407 298.8044 -275.7502 -240.3436 760335.7520 3.7376 3.7492 PRESSURE: 3209800 -12.5775 140.704 237.754 140.704 -272.073 -13.1849 237.753 -13.1857 -63.6414 GPRESSURE: 3209800 -13.6968 95.0595 121.489 132.232 -178.326 50.4796 197.348 -76.941 -61.9766 PRESSAVG: 3209800 -20.2286 27.7883 64.1539 27.7882 -5.50171 -8.99457 64.1538 -8.99461 -1.8654 GPRESSAVG: 3209800 -18.2885 28.2923 64.2389 28.4879 -6.0762 -8.82292 64.6415 -9.69367 -3.14911 TIMING: 3209800 CPU: 10137.6, 0.00313671/step Wall: 10137.6, 0.00313671/step, 1.55982 hours remaining, 236.234375 MB of memory in use. ENERGY: 3209800 3964.8689 20616.0951 14349.9005 233.8984 -203603.7024 2769.5422 0.0000 0.0000 51738.4496 -109930.9477 297.3416 -161669.3973 -109573.9220 298.7940 -116.0973 -84.6666 762815.1230 -9.1986 -9.1713 PRESSURE: 3210000 295.366 -48.5785 112.349 -48.5777 -55.6738 136.229 112.35 136.229 -100.745 GPRESSURE: 3210000 238.964 -79.8052 157.587 -79.6151 29.1001 193.356 125.018 218.917 -72.4899 PRESSAVG: 3210000 23.5109 56.3283 58.2148 56.3284 -39.6734 -8.52695 58.2148 -8.52687 -0.838348 GPRESSAVG: 3210000 22.6637 56.5674 59.2604 55.6981 -39.5365 -7.96075 57.2697 -8.89183 -0.268312 TIMING: 3210000 CPU: 10138.2, 0.00314761/step Wall: 10138.2, 0.00314761/step, 1.56506 hours remaining, 236.234375 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: 3210000 3970.1151 20478.9370 14346.7292 248.6133 -203783.5964 2832.1589 0.0000 0.0000 51787.7103 -110119.3326 297.6247 -161907.0428 -109763.0870 297.9251 46.3159 65.1915 761021.4198 -5.6670 -5.7137 PRESSURE: 3210200 107.791 -171.964 -77.9259 -171.964 16.4943 -37.5634 -77.9258 -37.5626 -13.3368 GPRESSURE: 3210200 164.121 -86.2494 -58.9171 -152.311 20.7585 20.0454 -126.342 -55.4522 -1.36163 PRESSAVG: 3210200 -4.61678 26.4658 6.41813 26.4658 -28.0026 -36.1761 6.41812 -36.176 -2.38777 GPRESSAVG: 3210200 -4.35562 27.6248 4.00662 27.2518 -27.8622 -36.1359 7.23636 -36.5591 -2.61625 TIMING: 3210200 CPU: 10138.8, 0.0031393/step Wall: 10138.8, 0.0031393/step, 1.56075 hours remaining, 236.234375 MB of memory in use. ENERGY: 3210200 3991.5150 20430.1344 14384.4617 243.8217 -203527.1087 2724.2018 0.0000 0.0000 51736.1966 -110016.7775 297.3286 -161752.9741 -109655.3823 297.7394 36.9829 61.1725 762106.9930 -11.6690 -11.6113 PRESSURE: 3210400 147.334 59.5063 64.8476 59.5062 162.932 55.9507 64.8462 55.9494 115.257 GPRESSURE: 3210400 181.59 12.3498 110.83 97.3182 176.995 152.311 -15.3846 67.1627 143.969 PRESSAVG: 3210400 -41.0511 21.3215 -18.5569 21.3215 16.6337 -19.4064 -18.5569 -19.4063 2.91682 GPRESSAVG: 3210400 -41.1194 18.5609 -16.6193 23.4535 15.7655 -18.3232 -19.8607 -19.6242 4.20101 TIMING: 3210400 CPU: 10139.5, 0.00312706/step Wall: 10139.5, 0.00312706/step, 1.5545 hours remaining, 236.234375 MB of memory in use. ENERGY: 3210400 3899.1591 20435.6838 14408.2922 242.9803 -203638.9960 3061.2433 0.0000 0.0000 51696.4269 -109895.2103 297.1001 -161591.6372 -109526.9643 297.6195 141.8410 167.5182 761763.9848 -7.1669 -7.0510 PRESSURE: 3210600 -29.1395 202.576 98.524 202.575 -94.359 -45.2907 98.5237 -45.2901 96.0228 GPRESSURE: 3210600 -120.539 77.4534 27.0346 230.398 3.5097 -25.3291 180.18 -117.855 164.015 PRESSAVG: 3210600 -4.07302 13.4655 27.9935 13.4655 4.82497 -21.0058 27.9935 -21.0057 1.31351 GPRESSAVG: 3210600 -6.35061 15.3747 26.2251 11.9697 6.03072 -24.6126 28.3891 -20.8958 1.33212 TIMING: 3210600 CPU: 10140.1, 0.00312735/step Wall: 10140.1, 0.00312735/step, 1.55447 hours remaining, 236.234375 MB of memory in use. ENERGY: 3210600 3950.8755 20494.8871 14477.3746 255.0358 -203708.2049 2811.2654 0.0000 0.0000 51840.7675 -109877.9988 297.9296 -161718.7663 -109510.5891 297.9351 -9.1586 15.6619 761074.5406 0.6885 0.3374 PRESSURE: 3210800 -440.126 83.8365 -305.696 83.837 178.976 116.88 -305.696 116.88 -87.2689 GPRESSURE: 3210800 -468.25 55.3243 -287.146 -61.239 206.021 91.0011 -239.735 107.139 7.34634 PRESSAVG: 3210800 -47.7095 20.3656 35.3309 20.3656 38.8742 -18.608 35.331 -18.608 19.6873 GPRESSAVG: 3210800 -46.5273 19.8775 35.3387 19.451 38.5025 -16.1124 34.9965 -19.3679 18.7783 TIMING: 3210800 CPU: 10140.7, 0.00313549/step Wall: 10140.7, 0.00313549/step, 1.55834 hours remaining, 236.234375 MB of memory in use. ENERGY: 3210800 4050.8517 20455.0123 14401.4374 281.5162 -203461.1666 2647.0617 0.0000 0.0000 51977.6343 -109647.6528 298.7162 -161625.2871 -109285.6148 298.3462 -116.1396 -84.9609 762093.4498 3.6173 3.5845 PRESSURE: 3211000 -40.1617 60.246 97.4298 60.2459 180.22 -180.984 97.4305 -180.985 -17.0088 GPRESSURE: 3211000 68.8893 76.6454 76.7247 119.578 133.21 -227.375 84.3182 -300.938 -1.17376 PRESSAVG: 3211000 -14.0637 21.952 56.0168 21.952 14.0306 -58.3962 56.0169 -58.3962 8.04074 GPRESSAVG: 3211000 -15.1317 21.9802 58.7856 22.2976 13.734 -59.4807 55.5874 -57.6016 9.30489 TIMING: 3211000 CPU: 10141.3, 0.00314299/step Wall: 10141.3, 0.00314299/step, 1.56189 hours remaining, 236.234375 MB of memory in use. ENERGY: 3211000 4039.1966 20463.5347 14439.0078 230.7097 -203820.9203 2663.3885 0.0000 0.0000 52178.5385 -109806.5443 299.8708 -161985.0829 -109444.7372 298.7488 41.0166 66.9751 761219.7475 2.6692 2.6357 PRESSURE: 3211200 -86.822 76.4341 104.257 76.4329 -405.283 -91.1452 104.256 -91.146 -26.1988 GPRESSURE: 3211200 17.8644 144.805 155.322 95.91 -376.517 -82.155 82.4841 4.78125 -57.6506 PRESSAVG: 3211200 -7.01162 15.2983 66.1298 15.2982 -6.9534 5.02173 66.1298 5.02167 2.37795 GPRESSAVG: 3211200 -5.54801 16.3071 64.4451 15.2993 -7.11242 5.13693 65.6831 4.7608 1.21097 TIMING: 3211200 CPU: 10142, 0.003143/step Wall: 10142, 0.003143/step, 1.56172 hours remaining, 236.234375 MB of memory in use. ENERGY: 3211200 4005.0968 20580.9758 14436.4904 251.6261 -203745.4086 2832.5162 0.0000 0.0000 51756.3744 -109882.3290 297.4446 -161638.7034 -109522.2270 298.4341 -172.7681 -138.7677 761809.3841 -3.8624 -3.8165 PRESSURE: 3211400 87.3634 -53.1225 128.557 -53.1212 -52.3358 15.6853 128.558 15.6855 94.1631 GPRESSURE: 3211400 95.9268 -30.8795 66.6589 24.2038 -62.4353 -86.2924 166.588 101.185 176.729 PRESSAVG: 3211400 33.442 4.18823 18.4269 4.18824 -15.5733 15.1636 18.4269 15.1635 13.9917 GPRESSAVG: 3211400 34.2376 3.32459 17.4036 4.59386 -16.1528 14.9461 18.5364 16.3583 14.4375 TIMING: 3211400 CPU: 10142.6, 0.00313916/step Wall: 10142.6, 0.00313916/step, 1.55964 hours remaining, 236.234375 MB of memory in use. ENERGY: 3211400 4046.8981 20436.1495 14428.9648 230.7416 -203634.7976 2762.0091 0.0000 0.0000 52015.5024 -109714.5322 298.9338 -161730.0345 -109354.6992 298.0763 43.0636 70.0735 763122.3318 10.6201 10.8407 PRESSURE: 3211600 67.5207 -20.173 -15.3879 -20.1743 -189.598 -102.274 -15.3883 -102.274 34.0331 GPRESSURE: 3211600 111.665 9.92068 -12.3948 -57.0181 -236.203 -48.0599 -64.9147 -87.8033 132.766 PRESSAVG: 3211600 -25.1798 33.2681 3.33382 33.2681 -3.0726 -20.5963 3.3338 -20.5963 -11.1621 GPRESSAVG: 3211600 -25.4349 33.9444 2.83266 33.1372 -2.95473 -21.1369 4.29954 -22.3036 -11.0469 TIMING: 3211600 CPU: 10143.2, 0.00313808/step Wall: 10143.2, 0.00313808/step, 1.55893 hours remaining, 236.234375 MB of memory in use. ENERGY: 3211600 3996.4060 20524.8145 14388.2156 255.0099 -203369.3143 2623.2903 0.0000 0.0000 51781.0472 -109800.5308 297.5864 -161581.5780 -109451.7665 298.4295 -29.3479 2.7428 762542.3560 -13.1382 -13.1455 PRESSURE: 3211800 108.637 -20.6922 99.1709 -20.6928 38.5565 225.601 99.1711 225.602 134.256 GPRESSURE: 3211800 76.4164 0.948758 56.8476 -22.8852 144.536 181.393 89.5857 143.919 167.321 PRESSAVG: 3211800 20.9047 -28.8946 -8.04716 -28.8946 -7.31839 8.12604 -8.04706 8.12606 13.3884 GPRESSAVG: 3211800 20.2901 -29.0824 -9.08071 -30.01 -6.45065 7.41607 -10.4314 8.85773 13.4113 TIMING: 3211800 CPU: 10143.9, 0.00313181/step Wall: 10143.9, 0.00313181/step, 1.55564 hours remaining, 236.234375 MB of memory in use. ENERGY: 3211800 3915.4448 20496.3922 14430.9254 250.9047 -203867.5307 2973.7562 0.0000 0.0000 51880.1429 -109919.9646 298.1559 -161800.1075 -109554.6805 298.2320 93.8167 129.4244 761259.3641 8.9916 9.0836 PRESSURE: 3212000 -205.531 39.8262 148.694 39.8249 -26.9106 -180.201 148.694 -180.201 -127.004 GPRESSURE: 3212000 -180.357 58.2034 107.925 68.9992 32.5266 -212.657 47.2464 -136.924 -129.951 PRESSAVG: 3212000 -42.824 -58.7157 -0.504268 -58.7156 -22.4256 -17.1396 -0.504303 -17.1396 -19.9496 GPRESSAVG: 3212000 -42.5237 -59.4223 3.13498 -58.1075 -23.2074 -16.8507 2.29628 -15.6106 -19.067 TIMING: 3212000 CPU: 10144.5, 0.00314899/step Wall: 10144.5, 0.00314899/step, 1.564 hours remaining, 236.234375 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: 3212000 3995.7630 20514.1536 14325.5922 243.2381 -203821.1363 2860.8775 0.0000 0.0000 52010.0547 -109871.4572 298.9025 -161881.5118 -109500.8564 297.9700 -119.8152 -92.5938 761127.2144 -28.3997 -28.2660 PRESSURE: 3212200 -48.5948 -169.144 261.542 -169.144 264.938 129.307 261.542 129.308 -27.6782 GPRESSURE: 3212200 47.9045 -198.217 187.184 -162.339 236.079 189.279 246.645 170.783 -10.7195 PRESSAVG: 3212200 -49.134 11.2793 64.8076 11.2794 57.725 -39.4214 64.8075 -39.4214 -13.8028 GPRESSAVG: 3212200 -48.7954 12.8469 62.1581 13.0792 58.6064 -37.3301 64.3219 -39.7074 -14.8891 TIMING: 3212200 CPU: 10145.1, 0.00315726/step Wall: 10145.1, 0.00315726/step, 1.56793 hours remaining, 236.234375 MB of memory in use. ENERGY: 3212200 3998.1687 20270.4456 14386.2629 251.6861 -203291.0528 2725.2236 0.0000 0.0000 52009.3228 -109649.9431 298.8983 -161659.2659 -109280.8111 298.1879 62.8885 91.0880 762693.9569 -1.7373 -1.6927 LDB: ============= START OF LOAD BALANCING ============== 10157.6 LDB: ============== END OF LOAD BALANCING =============== 10157.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10157.7 LDB: ============= START OF LOAD BALANCING ============== 10158 LDB: Largest compute 7076 load 0.032888 is 16.8% of average load 0.195708 LDB: Average compute 0.004353 is 2.2% of average load 0.195708 LDB: TIME 10158 LOAD: AVG 0.195708 MAX 0.216723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.156 MB LDB: TIME 10158 LOAD: AVG 0.195708 MAX 0.216723 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.156 MB LDB: TIME 10158 LOAD: AVG 0.195708 MAX 0.216723 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.156 MB LDB: ============== END OF LOAD BALANCING =============== 10158 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10158 PRESSURE: 3212400 -54.8461 -127.2 -36.6447 -127.2 -202.856 -21.7393 -36.6447 -21.7395 -74.4257 GPRESSURE: 3212400 -12.8347 -150.128 -62.6284 61.4943 -145.883 -95.1708 55.1209 -89.4591 -89.6224 PRESSAVG: 3212400 0.767552 -34.8125 83.0301 -34.8125 16.3636 -44.4675 83.0301 -44.4675 8.96052 GPRESSAVG: 3212400 1.76989 -34.0006 82.7629 -37.9268 16.6485 -45.55 82.6568 -45.7456 7.7816 TIMING: 3212400 CPU: 10145.8, 0.00321917/step Wall: 10145.8, 0.00321917/step, 1.5985 hours remaining, 235.906250 MB of memory in use. ENERGY: 3212400 3984.6721 20550.9409 14356.6612 239.3110 -203118.4088 2557.3039 0.0000 0.0000 51977.2656 -109452.2539 298.7141 -161429.5195 -109096.1410 299.0455 -110.7094 -82.7799 761740.8703 8.6972 8.7333 PRESSURE: 3212600 171.352 -70.1848 -165.698 -70.1849 -80.3144 -95.7828 -165.698 -95.7842 -386.221 GPRESSURE: 3212600 176.817 -18.847 -161.24 65.7594 -121.557 -107.67 -180.969 -42.2824 -259.532 PRESSAVG: 3212600 -91.7886 8.45407 0.827312 8.4541 43.4498 1.13938 0.827339 1.13936 -12.4555 GPRESSAVG: 3212600 -92.2766 7.13023 1.79609 9.93447 43.2838 0.239778 2.25687 1.36728 -11.244 TIMING: 3212600 CPU: 10146.4, 0.00316827/step Wall: 10146.4, 0.00316827/step, 1.57305 hours remaining, 236.402344 MB of memory in use. ENERGY: 3212600 3890.6825 20540.3574 14364.0096 234.2150 -203026.0362 2722.4249 0.0000 0.0000 51905.2559 -109369.0909 298.3002 -161274.3468 -109008.2920 298.7061 -98.3946 -68.0906 763566.8160 -20.2647 -20.0790 PRESSURE: 3212800 25.9557 46.273 -153.891 46.273 153.131 197.679 -153.891 197.679 -14.4093 GPRESSURE: 3212800 118.72 -33.8373 -231.425 79.6097 139.478 148.725 -95.3608 175.046 12.725 PRESSAVG: 3212800 -9.75033 3.13014 -10.1996 3.13015 4.41587 27.919 -10.1996 27.919 0.93375 GPRESSAVG: 3212800 -9.49941 4.05735 -10.9377 2.60764 5.05335 27.7196 -11.6021 29.6128 0.205854 TIMING: 3212800 CPU: 10147, 0.00316686/step Wall: 10147, 0.00316686/step, 1.57217 hours remaining, 236.402344 MB of memory in use. ENERGY: 3212800 3987.4805 20525.0318 14310.5176 272.1603 -203303.8403 2712.4314 0.0000 0.0000 52165.6290 -109330.5896 299.7966 -161496.2186 -108978.5112 299.0974 54.8924 90.3075 761975.7310 -1.4669 -1.4134 PRESSURE: 3213000 -83.9357 -151.968 -257.126 -151.968 113.479 -104.57 -257.127 -104.571 40.6816 GPRESSURE: 3213000 -27.7119 -173.99 -223.326 -183.967 130.064 -123.679 -172.137 -64.4649 42.7612 PRESSAVG: 3213000 -3.86252 5.02003 -13.83 5.02004 15.6098 -38.2942 -13.83 -38.2941 -9.28251 GPRESSAVG: 3213000 -4.01951 3.51438 -14.2046 6.60801 14.374 -38.2896 -13.0276 -37.9071 -7.7105 TIMING: 3213000 CPU: 10147.7, 0.00318448/step Wall: 10147.7, 0.00318448/step, 1.58074 hours remaining, 236.402344 MB of memory in use. ENERGY: 3213000 4027.5641 20372.1625 14393.1762 254.4114 -203903.9659 3096.9294 0.0000 0.0000 52167.4097 -109592.3127 299.8068 -161759.7224 -109240.5302 299.0073 23.4083 48.3713 761299.6444 0.8216 0.8813 PRESSURE: 3213200 -144.706 -207.969 225.171 -207.969 -99.5635 -187.401 225.171 -187.401 217.45 GPRESSURE: 3213200 -84.9983 -196.671 213.39 -206.546 -26.8471 -157.228 214.692 -258.398 153.935 PRESSAVG: 3213200 -41.2046 14.3668 -54.9229 14.3667 6.63912 -14.5856 -54.9229 -14.5856 5.10302 GPRESSAVG: 3213200 -41.2273 16.3411 -54.3646 12.5032 8.87347 -13.8601 -56.423 -17.9171 3.68286 TIMING: 3213200 CPU: 10148.3, 0.00316429/step Wall: 10148.3, 0.00316429/step, 1.57054 hours remaining, 236.402344 MB of memory in use. ENERGY: 3213200 3974.5351 20497.8386 14350.2341 230.3902 -203774.3462 3160.0523 0.0000 0.0000 51998.9378 -109562.3581 298.8386 -161561.2959 -109198.7835 298.9999 -8.9398 14.0299 763199.0574 -9.8208 -9.5570 PRESSURE: 3213400 -274.963 164.061 -133.519 164.061 -329.148 -117.337 -133.519 -117.337 -30.0783 GPRESSURE: 3213400 -163.098 -26.2956 -151.054 229.028 -321.457 -83.8878 -168.528 -119.686 -71.2825 PRESSAVG: 3213400 16.9164 -0.694804 27.4697 -0.69484 17.3049 -18.9813 27.4697 -18.9813 2.00201 GPRESSAVG: 3213400 17.1403 -0.96152 27.357 -1.80779 16.6872 -18.0632 27.6481 -16.9938 2.0977 TIMING: 3213400 CPU: 10148.9, 0.00314543/step Wall: 10148.9, 0.00314543/step, 1.56101 hours remaining, 236.402344 MB of memory in use. ENERGY: 3213400 3960.2887 20549.0304 14368.7791 241.6740 -203549.9067 2800.2473 0.0000 0.0000 52136.8584 -109493.0288 299.6312 -161629.8872 -109127.3552 299.0320 -211.3965 -185.2791 763920.2454 12.0744 11.9750 PRESSURE: 3213600 -128.04 204.702 -38.5433 204.702 -375.625 -72.5974 -38.5435 -72.5965 -91.1808 GPRESSURE: 3213600 -36.5322 104.125 69.238 188.843 -332.367 -29.5858 -38.0971 82.1003 -154.194 PRESSAVG: 3213600 -7.89154 -26.8604 35.7599 -26.8603 26.3423 -65.1433 35.7598 -65.1433 10.7756 GPRESSAVG: 3213600 -8.28893 -27.9928 34.5188 -24.2599 26.2891 -66.5528 36.1942 -65.7015 11.3282 TIMING: 3213600 CPU: 10149.6, 0.00313365/step Wall: 10149.6, 0.00313365/step, 1.55499 hours remaining, 236.605469 MB of memory in use. ENERGY: 3213600 3988.0795 20590.7588 14509.8520 247.9038 -203118.0437 2369.4291 0.0000 0.0000 52042.3577 -109369.6629 299.0881 -161412.0206 -109014.7791 299.0814 -198.2819 -174.3644 763359.5148 9.7421 9.7761 PRESSURE: 3213800 -7.55902 72.6029 85.6898 72.6017 -117.747 -25.7306 85.6892 -25.7313 -234.481 GPRESSURE: 3213800 22.0811 75.7005 104.961 125.014 -89.2972 -80.7329 -68.1176 -25.1584 -199.081 PRESSAVG: 3213800 23.606 -27.9176 77.2567 -27.9177 -45.8331 -9.85794 77.2566 -9.85796 5.94775 GPRESSAVG: 3213800 24.1281 -28.4281 77.2851 -27.8404 -46.8247 -8.6862 77.3749 -10.697 6.87146 TIMING: 3213800 CPU: 10150.2, 0.0031307/step Wall: 10150.2, 0.0031307/step, 1.55335 hours remaining, 236.605469 MB of memory in use. ENERGY: 3213800 3965.6757 20490.3103 14419.5626 244.1047 -203610.5264 3047.2845 0.0000 0.0000 51973.1115 -109470.4770 298.6902 -161443.5885 -109109.6496 298.8118 -119.9290 -88.7658 763268.9456 -5.4264 -5.2751 PRESSURE: 3214000 112.489 143.205 -64.1552 143.205 -79.337 -327.433 -64.1551 -327.431 139.768 GPRESSURE: 3214000 45.8116 135.829 -53.6782 251.621 134.301 -254.243 64.0753 -424.625 63.011 PRESSAVG: 3214000 5.96377 -9.15842 21.9493 -9.15834 27.0487 -69.6819 21.9493 -69.6818 -5.31452 GPRESSAVG: 3214000 4.58344 -7.6974 22.7932 -10.1861 28.0395 -70.3186 22.2563 -68.942 -5.32195 TIMING: 3214000 CPU: 10150.8, 0.00314426/step Wall: 10150.8, 0.00314426/step, 1.5599 hours remaining, 236.625000 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: 3214000 3990.5704 20494.0962 14442.9132 243.9799 -203709.2454 2895.4843 0.0000 0.0000 51990.8187 -109651.3827 298.7919 -161642.2014 -109299.2943 298.8072 57.6402 81.0411 762950.0387 9.2327 9.1003 PRESSURE: 3214200 -484.696 61.9777 16.8346 61.9782 221.691 94.0208 16.8344 94.0201 29.5566 GPRESSURE: 3214200 -374.926 48.5773 0.268386 64.2161 152.936 91.179 -30.2233 54.7057 65.7274 PRESSAVG: 3214200 -14.8593 -33.3151 -47.1476 -33.315 40.6538 -2.77603 -47.1475 -2.7761 4.41263 GPRESSAVG: 3214200 -14.3637 -34.4941 -46.497 -35.3988 41.7281 -1.41847 -46.8874 -4.56893 3.10209 TIMING: 3214200 CPU: 10151.4, 0.00316042/step Wall: 10151.4, 0.00316042/step, 1.56774 hours remaining, 236.625000 MB of memory in use. ENERGY: 3214200 4042.4419 20411.3807 14386.9358 228.2408 -203186.4667 2532.1622 0.0000 0.0000 51843.2947 -109742.0107 297.9441 -161585.3053 -109379.9323 298.3466 -77.8162 -52.0877 762447.8179 10.0691 10.1555 PRESSURE: 3214400 158.891 -6.05872 -136.143 -6.05866 150.581 83.3966 -136.143 83.3968 -193.282 GPRESSURE: 3214400 133.681 -116.364 -59.4334 59.3709 207.519 89.5785 -244.34 58.2299 -138.593 PRESSAVG: 3214400 21.2275 -20.3589 2.02955 -20.3589 34.7255 5.71019 2.02958 5.71026 7.07303 GPRESSAVG: 3214400 21.9305 -20.963 2.97647 -19.4003 32.6881 5.72001 0.0682896 6.66774 8.06671 TIMING: 3214400 CPU: 10152.1, 0.00316358/step Wall: 10152.1, 0.00316358/step, 1.56914 hours remaining, 236.640625 MB of memory in use. ENERGY: 3214400 4017.3769 20457.6202 14361.3141 252.8934 -203525.3367 2717.0319 0.0000 0.0000 51903.0060 -109816.0940 298.2873 -161719.1000 -109456.0434 298.1818 38.7302 67.5355 760568.3049 21.0087 20.8951 PRESSURE: 3214600 -203.381 63.117 -112.457 63.1172 34.1377 -287.955 -112.457 -287.955 -214.036 GPRESSURE: 3214600 -134.882 44.1436 -63.1476 73.5936 60.0574 -259.281 -56.4957 -391.223 -211.867 PRESSAVG: 3214600 7.93501 10.2303 2.684 10.2303 17.2834 -5.45975 2.6839 -5.4597 6.47589 GPRESSAVG: 3214600 8.35839 10.4066 1.824 10.2641 17.6344 -6.85681 4.33565 -5.64361 6.32612 TIMING: 3214600 CPU: 10152.7, 0.00315512/step Wall: 10152.7, 0.00315512/step, 1.56477 hours remaining, 236.640625 MB of memory in use. ENERGY: 3214600 3984.5641 20336.5296 14439.3279 238.6207 -203615.7128 2941.8221 0.0000 0.0000 51751.4508 -109923.3975 297.4163 -161674.8482 -109557.4830 297.9844 -127.7597 -95.5636 761869.8443 10.5648 10.7730 PRESSURE: 3214800 -118.544 151.015 -10.7845 151.014 -84.9224 -142.598 -10.7849 -142.597 -318.575 GPRESSURE: 3214800 -101.089 100.739 -43.3937 43.0602 -26.2884 -147.15 -60.2668 -243.275 -310.398 PRESSAVG: 3214800 -49.2102 -23.3876 -18.4336 -23.3875 30.0882 -20.0241 -18.4336 -20.0242 -1.85029 GPRESSAVG: 3214800 -49.4559 -23.0283 -16.9424 -23.9095 30.6478 -19.2819 -19.4505 -21.3005 -1.60227 TIMING: 3214800 CPU: 10153.3, 0.0031661/step Wall: 10153.3, 0.0031661/step, 1.57003 hours remaining, 236.640625 MB of memory in use. ENERGY: 3214800 3910.4548 20334.7574 14383.4844 241.6470 -203396.2855 2560.3651 0.0000 0.0000 51955.9320 -110009.6448 298.5915 -161965.5768 -109651.5249 298.0889 -174.0137 -145.9251 762542.7973 -6.9908 -6.8035 PRESSURE: 3215000 55.3475 221.752 25.8158 221.751 12.5918 206.376 25.8158 206.374 63.4637 GPRESSURE: 3215000 114.743 131.335 126.675 269.268 23.0359 195.108 -21.8324 194.597 69.1214 PRESSAVG: 3215000 1.02438 15.7364 12.1486 15.7364 18.4668 -33.3598 12.1485 -33.3599 -2.46873 GPRESSAVG: 3215000 2.22062 14.1114 11.093 17.6512 17.9921 -32.1479 12.4299 -31.8967 -3.3283 TIMING: 3215000 CPU: 10154, 0.00316764/step Wall: 10154, 0.00316764/step, 1.57062 hours remaining, 236.625000 MB of memory in use. ENERGY: 3215000 3935.6536 20262.2028 14334.7523 243.9081 -203408.2652 2669.2110 0.0000 0.0000 51950.4004 -110012.1371 298.5597 -161962.5375 -109645.6619 297.6412 43.8010 68.9669 760964.4030 5.6742 5.6281 PRESSURE: 3215200 68.4793 -8.33655 93.6747 -8.33638 380.456 -52.0954 93.6743 -52.0952 163.398 GPRESSURE: 3215200 96.5907 79.3385 61.7713 45.0558 387.239 -112.41 -0.426984 132.411 213.704 PRESSAVG: 3215200 2.39832 -11.7269 -19.5176 -11.7269 -49.7671 29.3912 -19.5176 29.3912 -10.71 GPRESSAVG: 3215200 0.678741 -10.5489 -19.8097 -11.8494 -48.8021 28.3081 -18.2811 26.7989 -10.2862 TIMING: 3215200 CPU: 10154.6, 0.00314067/step Wall: 10154.6, 0.00314068/step, 1.55708 hours remaining, 236.625000 MB of memory in use. ENERGY: 3215200 3924.8099 20182.3787 14325.8857 229.7501 -203827.7395 2994.1950 0.0000 0.0000 51997.6248 -110173.0952 298.8311 -162170.7201 -109803.0683 297.4374 204.1113 232.5114 762196.4653 -19.3596 -19.4698 PRESSURE: 3215400 325.932 31.3081 356.597 31.3077 -81.8765 -80.3863 356.597 -80.3859 0.963673 GPRESSURE: 3215400 456.412 57.3226 321.669 21.2249 -27.4903 -112.083 230.673 2.63264 -97.5854 PRESSAVG: 3215400 -3.08313 -11.2714 3.27892 -11.2713 15.7074 1.11499 3.27886 1.11503 0.887042 GPRESSAVG: 3215400 -2.56485 -10.2322 4.0325 -11.2089 15.096 -1.08065 2.5092 4.69497 0.89182 TIMING: 3215400 CPU: 10155.2, 0.00314826/step Wall: 10155.2, 0.00314826/step, 1.56066 hours remaining, 236.625000 MB of memory in use. ENERGY: 3215400 3998.3321 20369.1801 14349.9537 242.9058 -203844.4319 3028.3052 0.0000 0.0000 51956.7802 -109898.9748 298.5963 -161855.7549 -109536.5294 297.6709 81.6730 110.4454 761684.4480 4.5038 4.4743 PRESSURE: 3215600 200.672 -5.29888 -32.0129 -5.29872 192.5 270.992 -32.0132 270.991 175.603 GPRESSURE: 3215600 173.479 51.1129 37.9709 19.1036 229.295 194.931 -79.6027 233.82 249.172 PRESSAVG: 3215600 15.4012 20.7002 -11.0455 20.7002 19.5115 -14.9426 -11.0455 -14.9426 -16.3573 GPRESSAVG: 3215600 14.8511 19.6209 -13.2162 20.3232 20.1859 -13.2004 -11.454 -13.3035 -15.9882 TIMING: 3215600 CPU: 10155.9, 0.00315118/step Wall: 10155.9, 0.00315118/step, 1.56194 hours remaining, 236.625000 MB of memory in use. ENERGY: 3215600 3941.5303 20383.7765 14339.9339 271.5308 -203904.6978 3259.0776 0.0000 0.0000 51972.7980 -109736.0509 298.6884 -161708.8488 -109370.6867 298.2489 189.5914 217.3151 762388.9259 6.1851 6.3496 PRESSURE: 3215800 -247.203 -165.076 -238.967 -165.076 172.337 -132.444 -238.967 -132.443 -274.551 GPRESSURE: 3215800 -236.279 -27.3893 -118.142 -199.176 229.773 -161.693 -188.512 -84.8821 -246.516 PRESSAVG: 3215800 33.9754 -24.7672 46.8461 -24.7672 -9.61667 -17.6145 46.8461 -17.6145 22.6411 GPRESSAVG: 3215800 35.292 -22.7229 49.5222 -24.3364 -11.1362 -16.4719 48.7144 -19.8927 22.403 TIMING: 3215800 CPU: 10156.5, 0.00315632/step Wall: 10156.5, 0.00315632/step, 1.56431 hours remaining, 236.625000 MB of memory in use. ENERGY: 3215800 3988.9426 20495.0840 14322.5371 253.6785 -203493.4005 2881.0060 0.0000 0.0000 51836.5731 -109715.5794 297.9055 -161552.1525 -109355.3699 298.3679 -116.4722 -84.3407 764291.7479 15.6666 15.5196 PRESSURE: 3216000 257.53 -27.8944 21.5947 -27.8934 206.764 -370.132 21.5946 -370.132 -189.239 GPRESSURE: 3216000 247.146 -103.208 -7.97929 65.409 347.753 -433.413 18.3633 -260.759 -247.641 PRESSAVG: 3216000 18.5737 -50.3871 15.1902 -50.3871 -33.2792 -15.0691 15.1903 -15.0691 -1.83702 GPRESSAVG: 3216000 17.1406 -51.2359 13.0024 -50.9437 -31.7168 -17.0172 11.6986 -12.9162 -1.51863 TIMING: 3216000 CPU: 10157.1, 0.00315401/step Wall: 10157.1, 0.00315401/step, 1.56299 hours remaining, 236.625000 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: 3216000 3993.1081 20504.4495 14396.1634 246.7742 -203401.8753 2618.4700 0.0000 0.0000 52098.4202 -109544.4898 299.4103 -161642.9101 -109187.7214 298.4456 91.6848 115.7526 761308.2625 -5.5142 -5.3649 PRESSURE: 3216200 -140.058 -157.969 1.40801 -157.969 125.998 61.36 1.40843 61.3607 -127.798 GPRESSURE: 3216200 -78.4424 -121.749 -75.9468 -123.38 130.334 78.2472 116.937 62.7539 -117.334 PRESSAVG: 3216200 43.8254 -40.0496 29.3325 -40.0496 -18.6272 -68.1503 29.3324 -68.1503 -5.14538 GPRESSAVG: 3216200 43.1316 -40.9238 30.0391 -39.6501 -17.7946 -66.7722 31.144 -70.0948 -5.58942 TIMING: 3216200 CPU: 10157.8, 0.00316183/step Wall: 10157.8, 0.00316183/step, 1.56669 hours remaining, 236.593750 MB of memory in use. ENERGY: 3216200 3906.1166 20482.4565 14532.8039 235.9329 -203150.8528 2585.2940 0.0000 0.0000 51922.1665 -109486.0824 298.3974 -161408.2489 -109113.2249 298.8974 -47.2862 -21.8142 762950.9613 6.6842 6.5825 LDB: ============= START OF LOAD BALANCING ============== 10170.3 LDB: ============== END OF LOAD BALANCING =============== 10170.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10170.3 LDB: ============= START OF LOAD BALANCING ============== 10170.6 LDB: Largest compute 7076 load 0.032545 is 16.6% of average load 0.195551 LDB: Average compute 0.004370 is 2.2% of average load 0.195551 LDB: TIME 10170.6 LOAD: AVG 0.195551 MAX 0.214581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.336 MB LDB: TIME 10170.6 LOAD: AVG 0.195551 MAX 0.214581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: TIME 10170.6 LOAD: AVG 0.195551 MAX 0.214581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.539 MB LDB: ============== END OF LOAD BALANCING =============== 10170.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10170.6 PRESSURE: 3216400 180.083 0.519957 -56.6984 0.520579 411.822 152.324 -56.6977 152.323 5.11408 GPRESSURE: 3216400 246.139 53.9822 -44.5026 -48.972 370.001 113.966 -19.7675 106.587 58.2213 PRESSAVG: 3216400 58.0373 -54.4415 30.4281 -54.4415 -47.6779 -58.6735 30.4282 -58.6735 -18.9859 GPRESSAVG: 3216400 58.5604 -54.6127 31.5393 -54.3262 -49.971 -59.227 29.0506 -58.0497 -18.1297 TIMING: 3216400 CPU: 10158.4, 0.00324164/step Wall: 10158.4, 0.00324164/step, 1.60605 hours remaining, 234.847656 MB of memory in use. ENERGY: 3216400 3947.3222 20463.4035 14434.5565 235.2732 -203198.2989 2715.0332 0.0000 0.0000 51769.3717 -109633.3386 297.5193 -161402.7103 -109277.1575 298.7982 199.0063 224.7873 760906.4057 -2.8755 -3.1801 PRESSURE: 3216600 -38.5998 -185.088 96.0739 -185.088 -134.411 -75.2885 96.0737 -75.2883 117.952 GPRESSURE: 3216600 -30.5836 -56.9952 84.6828 -343.696 -57.369 -52.0945 -24.1636 -6.18368 118.521 PRESSAVG: 3216600 39.5423 -25.7597 72.5242 -25.7598 -37.9468 -28.305 72.5242 -28.3051 -8.17884 GPRESSAVG: 3216600 40.0658 -24.5257 71.4849 -26.0615 -38.0766 -29.0549 73.0393 -28.3566 -9.18868 TIMING: 3216600 CPU: 10159, 0.00318052/step Wall: 10159, 0.00318052/step, 1.57559 hours remaining, 235.105469 MB of memory in use. ENERGY: 3216600 3940.4104 20471.6172 14489.5902 228.3735 -203454.9470 2781.2810 0.0000 0.0000 51612.0566 -109931.6181 296.6152 -161543.6747 -109578.7885 297.6859 -18.3530 10.1894 763058.0707 -2.1944 -2.3998 PRESSURE: 3216800 -78.2715 -75.3069 -89.5759 -75.3088 33.6217 167.219 -89.5765 167.219 -198.47 GPRESSURE: 3216800 -91.213 44.9372 27.7462 -103.975 120.867 158.966 -80.8772 211.567 -177.805 PRESSAVG: 3216800 6.71555 -21.2092 21.9723 -21.2092 43.3096 -1.36488 21.9723 -1.36489 -19.766 GPRESSAVG: 3216800 6.3841 -22.2804 23.1494 -21.3765 42.7592 -1.34944 21.9629 -2.94453 -19.1641 TIMING: 3216800 CPU: 10159.7, 0.00316051/step Wall: 10159.7, 0.00316051/step, 1.56551 hours remaining, 235.105469 MB of memory in use. ENERGY: 3216800 3983.8131 20421.2051 14449.4490 253.7017 -203860.8474 2880.5074 0.0000 0.0000 52007.1959 -109864.9752 298.8861 -161872.1710 -109505.8911 297.7473 -81.0400 -49.3838 762353.0533 10.0864 9.9931 PRESSURE: 3217000 225.597 -96.6131 13.0614 -96.6131 217.068 -93.0089 13.0618 -93.008 190.829 GPRESSURE: 3217000 224.038 -41.0655 -56.8895 -211.453 268.327 -111.78 173.58 -54.4213 238.269 PRESSAVG: 3217000 13.4898 -58.2968 61.3407 -58.2968 -24.5735 4.89399 61.3407 4.89398 23.5656 GPRESSAVG: 3217000 12.2301 -58.1163 59.8503 -59.5183 -23.4882 4.84608 61.8293 5.615 24.3157 TIMING: 3217000 CPU: 10160.3, 0.00319125/step Wall: 10160.3, 0.00319125/step, 1.58056 hours remaining, 235.105469 MB of memory in use. ENERGY: 3217000 3971.0868 20450.4017 14447.3974 244.4785 -203436.5169 2814.7980 0.0000 0.0000 51740.0098 -109768.3448 297.3505 -161508.3545 -109409.1875 297.6415 211.1644 243.5448 762804.8632 4.1606 4.3525 PRESSURE: 3217200 -47.7962 -362.14 -47.9605 -362.14 -115.091 -33.0168 -47.9614 -33.0166 -200.465 GPRESSURE: 3217200 -31.421 -407.575 -15.9527 -353.424 -59.3825 -169.103 84.2242 -0.370331 -183.238 PRESSAVG: 3217200 -37.8086 -9.62595 -24.376 -9.62602 28.9013 -17.2813 -24.3761 -17.2814 -23.691 GPRESSAVG: 3217200 -37.0974 -9.12393 -23.1541 -9.25961 28.2592 -16.3458 -21.9928 -18.2801 -23.465 TIMING: 3217200 CPU: 10160.9, 0.00318817/step Wall: 10160.9, 0.00318817/step, 1.57885 hours remaining, 235.105469 MB of memory in use. ENERGY: 3217200 4027.8054 20225.4507 14459.9279 245.3160 -203346.3280 2834.3570 0.0000 0.0000 51999.1850 -109554.2860 298.8400 -161553.4710 -109203.0905 298.1606 -121.1175 -91.3472 763539.8783 -10.8661 -10.7677 PRESSURE: 3217400 -168.598 41.0359 224.994 41.036 56.934 -206.597 224.994 -206.597 83.262 GPRESSURE: 3217400 -265.808 93.4702 147.406 -61.6903 131.801 -265.065 302.779 -182.933 171.249 PRESSAVG: 3217400 14.0963 -62.2575 21.3319 -62.2575 26.4856 -19.9362 21.3319 -19.9362 2.44862 GPRESSAVG: 3217400 13.6898 -63.7493 22.4462 -62.9432 27.4289 -20.4417 19.9802 -19.7667 1.29399 TIMING: 3217400 CPU: 10161.6, 0.00319052/step Wall: 10161.6, 0.00319052/step, 1.57984 hours remaining, 235.105469 MB of memory in use. ENERGY: 3217400 3980.6442 20375.5782 14364.6254 246.1748 -203648.4964 2874.4451 0.0000 0.0000 52083.2201 -109723.8087 299.3230 -161807.0288 -109354.9083 298.9480 -9.4672 12.4139 763484.1934 14.3435 14.1376 PRESSURE: 3217600 255.165 -131.295 -55.7631 -131.295 -7.96849 -145.586 -55.7639 -145.586 347.493 GPRESSURE: 3217600 199.483 -115.829 -78.678 -213.996 -14.9221 -99.7984 -65.2566 -157.351 481.086 PRESSAVG: 3217600 51.3306 -29.2408 21.2152 -29.2408 -27.6146 -4.99528 21.2152 -4.99525 4.61564 GPRESSAVG: 3217600 50.828 -27.0795 19.4347 -28.3354 -27.7125 -3.23075 19.2195 -5.83736 4.98988 TIMING: 3217600 CPU: 10162.2, 0.00318456/step Wall: 10162.2, 0.00318456/step, 1.57671 hours remaining, 235.105469 MB of memory in use. ENERGY: 3217600 3967.5729 20552.8405 14344.8281 232.6964 -203850.9301 3181.3399 0.0000 0.0000 51974.4084 -109597.2439 298.6976 -161571.6522 -109245.1656 298.6484 198.2296 221.8825 764425.1926 9.4439 9.3685 PRESSURE: 3217800 -390.287 -70.8524 74.8744 -70.8528 -366.86 -168.206 74.8751 -168.206 -565.45 GPRESSURE: 3217800 -313.674 -171.703 124.019 -142.715 -322.599 -94.8027 34.8252 -203.815 -609.869 PRESSAVG: 3217800 35.4014 -42.1039 58.6789 -42.1039 -39.1838 -5.47753 58.6789 -5.47754 0.0708808 GPRESSAVG: 3217800 37.5589 -43.7192 59.2617 -43.0599 -41.1841 -6.22661 60.2148 -3.11589 -0.351274 TIMING: 3217800 CPU: 10162.9, 0.00317145/step Wall: 10162.9, 0.00317145/step, 1.57004 hours remaining, 235.105469 MB of memory in use. ENERGY: 3217800 4049.9309 20544.4518 14394.6474 223.7756 -203593.7496 2647.2349 0.0000 0.0000 51872.6814 -109861.0275 298.1130 -161733.7089 -109503.5503 298.0982 -440.8658 -415.3806 763894.0489 -1.2372 -1.3255 PRESSURE: 3218000 -217.571 168.073 1.84312 168.073 -85.4307 202.51 1.84298 202.509 -224.558 GPRESSURE: 3218000 -151.516 149.77 14.0075 195.737 -115.696 204.562 -88.1698 73.5287 -176.97 PRESSAVG: 3218000 -6.00472 -7.37285 16.1553 -7.3728 18.2573 61.7362 16.1552 61.7362 4.75535 GPRESSAVG: 3218000 -6.11501 -6.84389 16.6394 -4.7594 18.2365 60.3731 16.5567 60.3285 4.78683 TIMING: 3218000 CPU: 10163.5, 0.003162/step Wall: 10163.5, 0.003162/step, 1.56519 hours remaining, 235.105469 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: 3218000 3991.7519 20526.2297 14367.7017 243.8036 -203597.1084 2786.4061 0.0000 0.0000 51826.9895 -109854.2260 297.8504 -161681.2154 -109492.9520 298.0606 -175.8533 -148.0608 761845.1347 5.6693 5.6361 PRESSURE: 3218200 -70.4235 -147.444 105.907 -147.444 6.84598 -67.2526 105.907 -67.2536 332.507 GPRESSURE: 3218200 -123.833 -59.0713 32.2639 -188.406 118.34 -49.2599 27.2417 124.647 341.302 PRESSAVG: 3218200 34.9084 9.52453 -18.2894 9.52459 -16.4595 -24.4902 -18.2894 -24.4901 -1.20997 GPRESSAVG: 3218200 34.6873 8.76987 -19.0996 8.11218 -15.9517 -23.2024 -16.9855 -24.1894 -2.00053 TIMING: 3218200 CPU: 10164.1, 0.00314416/step Wall: 10164.1, 0.00314416/step, 1.55619 hours remaining, 235.105469 MB of memory in use. ENERGY: 3218200 3945.3827 20516.5580 14361.1767 252.8566 -203397.4629 2517.2336 0.0000 0.0000 51892.3009 -109911.9544 298.2258 -161804.2553 -109544.2248 298.0941 89.6431 111.9367 762039.8911 5.7463 5.5783 PRESSURE: 3218400 -72.3002 -117.868 -174.928 -117.867 -90.4178 6.09467 -174.928 6.09545 360.313 GPRESSURE: 3218400 -96.001 -57.3312 -156.662 -61.8133 2.86942 13.1309 -132.062 -15.6581 359.93 PRESSAVG: 3218400 -17.8994 -39.0079 85.0602 -39.008 21.351 13.9335 85.0602 13.9335 -19.5346 GPRESSAVG: 3218400 -20.3547 -39.1967 85.1806 -38.4465 22.6858 14.1705 83.221 13.9747 -18.2274 TIMING: 3218400 CPU: 10164.8, 0.00316928/step Wall: 10164.8, 0.00316928/step, 1.56844 hours remaining, 235.105469 MB of memory in use. ENERGY: 3218400 3984.1835 20502.3138 14449.8346 236.3323 -203786.1137 2732.6804 0.0000 0.0000 51850.4974 -110030.2717 297.9855 -161880.7691 -109677.8950 297.5914 65.8651 88.9328 761883.6722 -5.3610 -5.2988 PRESSURE: 3218600 -76.366 -59.7403 -37.6391 -59.7411 -180.386 -49.9633 -37.6396 -49.9631 -19.5925 GPRESSURE: 3218600 -7.0599 -11.663 -44.6907 -64.481 -136.908 -24.3722 -0.899514 10.6118 -40.6103 PRESSAVG: 3218600 -19.2991 -28.7775 -29.4177 -28.7776 35.3213 -78.8162 -29.4176 -78.8161 5.45876 GPRESSAVG: 3218600 -17.2251 -28.2759 -30.3228 -30.5741 34.3673 -78.6266 -27.2374 -80.8964 4.00012 TIMING: 3218600 CPU: 10165.4, 0.00319859/step Wall: 10165.4, 0.00319859/step, 1.58277 hours remaining, 235.105469 MB of memory in use. ENERGY: 3218600 3962.0754 20366.0982 14373.4334 234.7958 -203436.5979 2695.7998 0.0000 0.0000 51741.4102 -110062.9851 297.3586 -161804.3954 -109697.5867 297.6896 -92.1150 -61.5260 760797.7783 7.1603 7.0474 PRESSURE: 3218800 147.102 213.715 -82.6156 213.715 292.032 42.275 -82.6157 42.2747 241.037 GPRESSURE: 3218800 209.266 224.287 7.71235 334.472 328.761 7.33391 -216.397 96.5619 219.448 PRESSAVG: 3218800 4.59443 -43.2012 -3.74817 -43.2011 25.8371 -6.21035 -3.74816 -6.21026 17.3587 GPRESSAVG: 3218800 2.83088 -43.5163 -4.79077 -39.367 26.6902 -8.5023 -5.21496 -4.2906 18.4788 TIMING: 3218800 CPU: 10166, 0.00315424/step Wall: 10166, 0.00315424/step, 1.56065 hours remaining, 235.105469 MB of memory in use. ENERGY: 3218800 3918.5776 20711.8345 14351.7470 233.5940 -203937.2304 2990.4165 0.0000 0.0000 51955.8581 -109775.2027 298.5910 -161731.0607 -109411.3806 298.3429 226.7235 252.4915 760925.2164 15.9301 16.0000 PRESSURE: 3219000 263.923 -195.332 -29.1208 -195.332 -28.1897 76.1177 -29.1211 76.1182 -268.288 GPRESSURE: 3219000 249.213 -201.813 -4.34861 -278.923 42.2296 84.5597 -163.801 143.072 -272.492 PRESSAVG: 3219000 5.82921 -52.8275 37.6667 -52.8276 -11.9466 7.13867 37.6667 7.13868 1.03641 GPRESSAVG: 3219000 6.11388 -52.8114 38.8751 -55.1085 -12.7907 7.80293 36.6095 6.659 1.10939 TIMING: 3219000 CPU: 10166.6, 0.00314101/step Wall: 10166.6, 0.00314101/step, 1.55393 hours remaining, 235.105469 MB of memory in use. ENERGY: 3219000 3973.7578 20572.8064 14307.6064 242.0839 -203358.0404 2737.8606 0.0000 0.0000 51942.5518 -109581.3735 298.5146 -161523.9253 -109218.0499 298.5333 -10.8516 6.3168 762200.4745 -1.6937 -1.8558 PRESSURE: 3219200 -321.693 152.305 -41.6864 152.305 -357.604 54.926 -41.6869 54.9262 -411.507 GPRESSURE: 3219200 -256.139 56.4861 -82.2818 243.94 -321.695 47.294 -13.9691 95.8166 -430.231 PRESSAVG: 3219200 -17.3499 -12.7649 48.649 -12.765 -12.5438 -7.76704 48.649 -7.76719 -20.2493 GPRESSAVG: 3219200 -17.2777 -13.9001 49.0733 -12.2083 -13.6541 -7.85219 49.6048 -6.0266 -18.7274 TIMING: 3219200 CPU: 10167.3, 0.0031598/step Wall: 10167.3, 0.0031598/step, 1.56305 hours remaining, 235.105469 MB of memory in use. ENERGY: 3219200 4063.8415 20498.0956 14409.7359 240.5646 -203329.5895 2464.2437 0.0000 0.0000 51990.2020 -109662.9062 298.7884 -161653.1082 -109298.3579 298.5741 -363.6010 -336.0219 763375.8886 -16.7143 -16.5531 PRESSURE: 3219400 24.9393 90.4232 -74.497 90.4237 -220.44 227.074 -74.4965 227.075 197.248 GPRESSURE: 3219400 102.043 7.04279 -138.181 79.0636 -181.2 177.124 -74.4801 240.65 171.826 PRESSAVG: 3219400 24.7077 -12.1853 29.5402 -12.1853 -41.6367 36.2884 29.5403 36.2884 5.57356 GPRESSAVG: 3219400 25.8942 -9.69525 29.7522 -12.6144 -40.3566 37.5327 29.2811 35.9953 2.93795 TIMING: 3219400 CPU: 10167.9, 0.00313965/step Wall: 10167.9, 0.00313965/step, 1.55291 hours remaining, 235.105469 MB of memory in use. ENERGY: 3219400 4089.5697 20504.1050 14333.7746 244.0592 -204073.3767 3051.0641 0.0000 0.0000 52013.6663 -109837.1377 298.9233 -161850.8040 -109477.5933 298.8018 0.5825 30.8900 761286.0278 -3.7852 -3.8415 PRESSURE: 3219600 -129.942 -34.7005 -81.2886 -34.7008 20.9082 120.059 -81.288 120.06 23.8891 GPRESSURE: 3219600 -144.512 -19.9576 -98.8869 9.19791 56.0224 171.387 -8.06158 24.9912 98.5002 PRESSAVG: 3219600 57.7923 -10.5932 -19.6223 -10.5933 -40.4406 32.2273 -19.6222 32.2274 -5.00853 GPRESSAVG: 3219600 56.5546 -10.5071 -18.3683 -10.8747 -40.9993 31.4507 -21.1331 32.4478 -3.69924 TIMING: 3219600 CPU: 10168.5, 0.00314777/step Wall: 10168.5, 0.00314777/step, 1.55675 hours remaining, 235.105469 MB of memory in use. ENERGY: 3219600 3977.9736 20689.0091 14390.3560 258.8452 -203765.1959 2669.9192 0.0000 0.0000 51915.6542 -109863.4386 298.3600 -161779.0928 -109503.3113 299.0857 -28.3816 3.3370 760879.8819 4.1144 3.9520 PRESSURE: 3219800 342.783 -139.664 110.529 -139.664 87.9332 -165.39 110.529 -165.391 -281.018 GPRESSURE: 3219800 268.799 -64.4612 127.395 -147.585 168.239 -142.723 16.7862 -221.041 -207.337 PRESSAVG: 3219800 41.5269 -11.7642 37.8328 -11.7642 -53.0165 26.8565 37.8328 26.8565 0.748331 GPRESSAVG: 3219800 41.4238 -13.0383 35.7751 -10.6443 -53.5457 27.9404 39.8109 26.0044 1.08207 TIMING: 3219800 CPU: 10169.2, 0.0031562/step Wall: 10169.2, 0.0031562/step, 1.56074 hours remaining, 235.105469 MB of memory in use. ENERGY: 3219800 4069.5495 20466.5408 14351.2507 225.6021 -204046.2021 3076.5161 0.0000 0.0000 52249.2835 -109607.4594 300.2774 -161856.7429 -109244.0656 299.2208 49.8995 76.5669 760987.7265 -3.5804 -3.6800 PRESSURE: 3220000 351.605 -111.416 54.9924 -111.415 264.872 -33.4618 54.9928 -33.4617 241.585 GPRESSURE: 3220000 419.383 26.8875 146.752 -87.9005 246.399 -9.69004 68.0421 -23.6605 292.192 PRESSAVG: 3220000 -23.323 -51.9179 25.4414 -51.918 67.665 -13.2302 25.4414 -13.2302 -17.1335 GPRESSAVG: 3220000 -22.0963 -50.3575 27.2333 -53.5433 67.3679 -12.9479 24.8575 -12.7139 -17.5607 TIMING: 3220000 CPU: 10169.8, 0.00314742/step Wall: 10169.8, 0.00314742/step, 1.55622 hours remaining, 235.105469 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: 3220000 4028.1133 20610.8869 14346.1969 239.1090 -203883.4637 2974.0614 0.0000 0.0000 52001.1604 -109683.9359 298.8514 -161685.0963 -109318.0920 299.1550 286.0207 319.3247 760227.1490 9.0695 9.2370 PRESSURE: 3220200 15.7226 30.8757 -10.5587 30.8761 11.941 178.156 -10.5581 178.156 77.6074 GPRESSURE: 3220200 101.133 -5.20448 31.9238 55.181 68.9171 91.5876 -58.9491 31.5384 25.5568 PRESSAVG: 3220200 -34.3765 -9.26142 -25.9821 -9.26141 31.8042 -10.9669 -25.9821 -10.9669 24.2906 GPRESSAVG: 3220200 -34.3641 -10.4311 -26.272 -4.38773 32.2687 -12.037 -26.0229 -12.2065 24.3758 TIMING: 3220200 CPU: 10170.4, 0.00315536/step Wall: 10170.4, 0.00315536/step, 1.55998 hours remaining, 235.105469 MB of memory in use. ENERGY: 3220200 4026.8603 20608.2564 14416.8235 256.4598 -203693.3751 2794.0977 0.0000 0.0000 51838.5606 -109752.3168 297.9169 -161590.8774 -109391.5112 299.0425 35.0903 65.2023 761161.9274 7.2394 7.4268 LDB: ============= START OF LOAD BALANCING ============== 10183 LDB: ============== END OF LOAD BALANCING =============== 10183 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10183 LDB: ============= START OF LOAD BALANCING ============== 10183.3 LDB: Largest compute 7057 load 0.032959 is 16.9% of average load 0.195584 LDB: Average compute 0.004402 is 2.3% of average load 0.195584 LDB: TIME 10183.3 LOAD: AVG 0.195584 MAX 0.214749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 10183.3 LOAD: AVG 0.195584 MAX 0.214749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 10183.3 LOAD: AVG 0.195584 MAX 0.214749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 10183.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10183.3 PRESSURE: 3220400 185.874 81.1516 95.9544 81.1516 311.94 103.375 95.9541 103.375 171.143 GPRESSURE: 3220400 238.449 171.675 162.538 75.1625 354.086 155.536 -18.9016 68.6009 154.287 PRESSAVG: 3220400 1.01094 6.14678 14.5076 6.14684 16.1798 45.2784 14.5077 45.2784 -18.7507 GPRESSAVG: 3220400 0.165104 5.73337 15.3558 0.813187 16.6001 45.8423 16.8714 46.3963 -18.2683 TIMING: 3220400 CPU: 10171.1, 0.00323708/step Wall: 10171.1, 0.00323708/step, 1.6002 hours remaining, 235.125000 MB of memory in use. ENERGY: 3220400 4112.3625 20619.9648 14396.3761 237.3336 -204039.1991 3136.3582 0.0000 0.0000 52038.5497 -109498.2542 299.0663 -161536.8040 -109137.1089 299.3566 222.9858 248.9405 763747.7938 -0.5200 -0.5010 PRESSURE: 3220600 161.191 -18.7718 226.873 -18.7712 201.409 -317.617 226.873 -317.619 141.181 GPRESSURE: 3220600 252.522 123.056 160.917 -47.3026 158.356 -317.058 190.425 -261.739 194.594 PRESSAVG: 3220600 -73.0887 -21.3752 -9.19613 -21.3751 57.9361 10.188 -9.1962 10.188 -28.6101 GPRESSAVG: 3220600 -72.919 -20.8832 -11.4191 -20.8053 58.5241 9.07217 -10.1061 10.0796 -28.9469 TIMING: 3220600 CPU: 10171.7, 0.00318086/step Wall: 10171.7, 0.00318086/step, 1.57223 hours remaining, 235.195312 MB of memory in use. ENERGY: 3220600 4114.8974 20614.6357 14408.4192 239.8725 -203737.2547 2973.4249 0.0000 0.0000 51903.7851 -109482.2199 298.2918 -161386.0050 -109118.2282 299.5256 167.9270 201.8241 762625.6544 -14.5876 -14.4473 PRESSURE: 3220800 43.343 -32.6541 147.778 -32.6553 -419.979 -25.4446 147.779 -25.4439 -139.175 GPRESSURE: 3220800 -1.45105 -48.8238 201.734 -48.3549 -282.259 47.8829 81.8622 -136.874 -152.777 PRESSAVG: 3220800 -12.9105 -49.623 25.9274 -49.623 15.6208 10.1064 25.9274 10.1063 -13.707 GPRESSAVG: 3220800 -13.8786 -51.4295 27.6301 -50.0715 15.4656 9.84735 25.0813 10.2573 -12.4641 TIMING: 3220800 CPU: 10172.3, 0.00317081/step Wall: 10172.3, 0.00317081/step, 1.56709 hours remaining, 235.195312 MB of memory in use. ENERGY: 3220800 3966.4277 20635.9889 14412.2083 233.5926 -203414.4278 2636.0323 0.0000 0.0000 51918.4252 -109611.7527 298.3759 -161530.1779 -109250.2803 299.0953 -171.9370 -145.4956 762709.6190 -3.6656 -3.6257 PRESSURE: 3221000 -337.472 -79.5819 -44.2094 -79.5806 -147.55 -11.7769 -44.2102 -11.7771 -339.979 GPRESSURE: 3221000 -199.543 -182.515 -54.344 -99.2512 -188.201 52.944 43.3595 19.0033 -379.398 PRESSAVG: 3221000 58.4849 -42.9622 47.0835 -42.9622 -13.2206 0.368571 47.0836 0.368533 -1.93199 GPRESSAVG: 3221000 59.9532 -42.669 47.5406 -42.6787 -13.4465 0.604322 48.2873 -0.224153 -3.29562 TIMING: 3221000 CPU: 10173, 0.00315188/step Wall: 10173, 0.00315188/step, 1.55755 hours remaining, 235.195312 MB of memory in use. ENERGY: 3221000 3987.6950 20693.3306 14357.4888 242.9415 -203614.8217 2595.0134 0.0000 0.0000 52003.0718 -109735.2806 298.8624 -161738.3523 -109372.1054 299.1598 -275.0001 -255.7141 761920.0943 14.4441 14.4037 PRESSURE: 3221200 55.658 90.1064 132.577 90.1064 117.469 -25.6909 132.578 -25.6923 28.0994 GPRESSURE: 3221200 93.6315 139.881 133.644 116.196 191.41 -139.938 14.6293 -167.224 -25.5076 PRESSAVG: 3221200 14.65 -3.08005 28.1038 -3.08011 -38.8761 20.8662 28.1039 20.8663 13.1403 GPRESSAVG: 3221200 13.9384 -1.96808 26.9126 -3.14547 -39.8099 21.1581 27.7969 20.2668 14.4581 TIMING: 3221200 CPU: 10173.6, 0.00317418/step Wall: 10173.6, 0.00317418/step, 1.5684 hours remaining, 235.195312 MB of memory in use. ENERGY: 3221200 3984.3955 20617.3873 14398.1878 249.8408 -203577.7136 2807.6364 0.0000 0.0000 51801.9335 -109718.3322 297.7064 -161520.2657 -109357.0137 298.7656 67.0755 86.5113 761649.3476 -3.6953 -3.8045 PRESSURE: 3221400 -105.319 -96.5462 106.337 -96.5457 -284.574 150.106 106.337 150.105 -113.549 GPRESSURE: 3221400 -73.5735 -183.708 121.155 -161.668 -188.112 253.661 52.1639 64.3808 -151.06 PRESSAVG: 3221400 -10.3865 12.7068 8.48782 12.7068 -8.9282 20.1634 8.48775 20.1634 -8.47185 GPRESSAVG: 3221400 -9.88718 15.715 8.70765 9.4932 -7.88794 19.8964 7.96575 20.43 -10.3171 TIMING: 3221400 CPU: 10174.2, 0.00317442/step Wall: 10174.2, 0.00317442/step, 1.56834 hours remaining, 235.195312 MB of memory in use. ENERGY: 3221400 3986.6024 20619.8990 14456.8489 252.0619 -203617.6565 2647.6822 0.0000 0.0000 51850.8562 -109803.7060 297.9876 -161654.5622 -109454.4924 298.1737 -167.8143 -137.5820 761198.5440 -9.2622 -9.3641 PRESSURE: 3221600 -414.542 -111.762 131.765 -111.763 -103.838 -167.718 131.765 -167.718 -154.097 GPRESSURE: 3221600 -413.237 -135.535 210.713 -219.229 -32.7565 -89.0107 90.75 -247.572 -163.021 PRESSAVG: 3221600 -15.3801 13.7895 14.3361 13.7895 0.419645 -19.647 14.336 -19.647 -2.80368 GPRESSAVG: 3221600 -15.3793 8.50633 15.6287 17.2871 0.418537 -18.0054 13.6758 -18.0603 -3.09946 TIMING: 3221600 CPU: 10174.9, 0.00315702/step Wall: 10174.9, 0.00315702/step, 1.55957 hours remaining, 235.195312 MB of memory in use. ENERGY: 3221600 4042.8832 20588.8721 14391.6818 251.2634 -203477.5519 2515.0533 0.0000 0.0000 51956.6450 -109731.1532 298.5956 -161687.7981 -109369.3402 298.4377 -224.1588 -203.0049 761569.3281 -5.9214 -6.0201 PRESSURE: 3221800 189.563 217.213 40.1915 217.213 -109.839 -18.7628 40.1913 -18.7624 -93.9089 GPRESSURE: 3221800 191.932 214.238 -8.40768 203.729 -61.759 -67.6179 41.9634 55.8631 -68.9347 PRESSAVG: 3221800 -8.76065 -71.2883 9.99141 -71.2883 6.57411 13.6127 9.99147 13.6127 -20.7819 GPRESSAVG: 3221800 -9.76595 -70.6136 8.12934 -72.3319 7.29907 12.2752 11.1067 13.016 -20.0864 TIMING: 3221800 CPU: 10175.5, 0.00316623/step Wall: 10175.5, 0.00316623/step, 1.56394 hours remaining, 235.195312 MB of memory in use. ENERGY: 3221800 3941.4533 20525.8009 14392.0445 251.5350 -203485.9069 2570.0929 0.0000 0.0000 52016.3087 -109788.6716 298.9384 -161804.9803 -109424.9382 298.7622 -4.7283 20.4128 761360.4990 -7.6562 -7.5178 PRESSURE: 3222000 -89.439 82.4163 57.3932 82.4162 -49.4297 220.098 57.3936 220.097 -14.6622 GPRESSURE: 3222000 27.5841 94.1635 101.875 101.282 -81.1287 245.452 -45.4615 274.1 -13.2797 PRESSAVG: 3222000 -6.36311 -6.74994 19.6186 -6.74997 -9.68538 -8.8082 19.6187 -8.80822 -12.4386 GPRESSAVG: 3222000 -3.53645 -6.27111 21.2137 -6.80242 -12.3582 -7.88082 20.6089 -7.94745 -12.0649 TIMING: 3222000 CPU: 10176.1, 0.00313535/step Wall: 10176.1, 0.00313535/step, 1.54852 hours remaining, 235.210938 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: 3222000 4034.1787 20465.1939 14421.3148 257.1347 -203051.3009 2485.3004 0.0000 0.0000 51680.6391 -109707.5393 297.0093 -161388.1785 -109357.4158 298.3091 -51.1770 -22.2748 760963.9733 -9.4957 -9.3199 PRESSURE: 3222200 21.727 59.9473 105.077 59.9477 7.98795 -234.597 105.077 -234.597 357.684 GPRESSURE: 3222200 70.799 28.2519 192.333 40.5807 133.101 -165.908 83.7257 -183.02 265.885 PRESSAVG: 3222200 30.125 -21.3516 32.6998 -21.3516 -37.6124 43.9662 32.6998 43.966 14.1845 GPRESSAVG: 3222200 27.8091 -22.1086 32.5504 -20.0531 -35.9342 44.7743 31.4843 42.656 14.4973 TIMING: 3222200 CPU: 10176.8, 0.00315109/step Wall: 10176.8, 0.00315109/step, 1.55611 hours remaining, 235.210938 MB of memory in use. ENERGY: 3222200 4045.4788 20408.5750 14416.8081 241.1830 -203368.7508 2755.9877 0.0000 0.0000 51910.6540 -109590.0644 298.3312 -161500.7183 -109221.9952 298.2852 129.1329 156.5949 761916.2891 2.2324 2.1241 PRESSURE: 3222400 -132.721 251.803 -14.2959 251.803 179.155 -113.962 -14.2955 -113.961 278.285 GPRESSURE: 3222400 -59.5991 254.064 49.4076 214.837 132.761 -54.6045 -61.7933 -2.99107 344.131 PRESSAVG: 3222400 3.60613 -19.6686 74.831 -19.6687 -30.8245 27.6082 74.831 27.6082 3.25975 GPRESSAVG: 3222400 4.32692 -19.7331 75.5059 -21.4566 -31.2539 26.1558 74.6452 29.4365 3.65365 TIMING: 3222400 CPU: 10177.4, 0.00316459/step Wall: 10177.4, 0.00316459/step, 1.56261 hours remaining, 235.210938 MB of memory in use. ENERGY: 3222400 3952.4647 20427.8096 14408.2096 235.4382 -203233.4965 2510.0349 0.0000 0.0000 52045.6242 -109653.9153 299.1069 -161699.5396 -109290.8703 298.4963 108.2398 139.0979 761274.9280 -7.9862 -7.7578 PRESSURE: 3222600 93.0673 -64.9752 46.6795 -64.9748 -185.851 131.721 46.6796 131.721 269.44 GPRESSURE: 3222600 128.033 18.387 14.4608 10.2522 -176.096 76.6684 53.8827 160.658 299.722 PRESSAVG: 3222600 -7.36366 -7.31672 65.8239 -7.31668 5.17296 36.4022 65.824 36.4023 5.26551 GPRESSAVG: 3222600 -6.22608 -5.84546 64.8424 -7.80901 5.83058 34.777 67.0284 34.4302 3.71795 TIMING: 3222600 CPU: 10178, 0.00317359/step Wall: 10178, 0.00317359/step, 1.56687 hours remaining, 235.210938 MB of memory in use. ENERGY: 3222600 3983.2146 20325.8972 14348.5563 253.1516 -202975.0390 2669.3614 0.0000 0.0000 51884.0082 -109510.8497 298.1781 -161394.8579 -109143.2452 298.1507 58.8856 83.8862 761096.8024 1.0249 1.1075 PRESSURE: 3222800 35.0375 60.9937 -331.318 60.9939 -298.579 122.874 -331.317 122.872 -121.706 GPRESSURE: 3222800 29.1498 -67.2447 -325.132 96.0753 -249.34 65.7174 -258.735 124.459 -83.2569 PRESSAVG: 3222800 17.438 -1.37767 44.2678 -1.37767 -5.79344 43.7963 44.2678 43.7963 -4.96506 GPRESSAVG: 3222800 16.342 -3.25558 43.8793 1.25981 -5.09479 43.5757 43.5081 45.8576 -4.8739 TIMING: 3222800 CPU: 10178.7, 0.00315939/step Wall: 10178.7, 0.00315939/step, 1.55968 hours remaining, 235.210938 MB of memory in use. ENERGY: 3222800 3952.9369 20491.6701 14390.4465 250.5439 -202959.8722 2477.5394 0.0000 0.0000 52158.2608 -109238.4747 299.7542 -161396.7355 -108875.9396 298.9984 -128.4157 -101.1490 762573.2853 2.2265 2.1244 PRESSURE: 3223000 107.198 -230.733 24.7388 -230.732 105.425 -125.788 24.7375 -125.787 -382.939 GPRESSURE: 3223000 171.078 -227.939 -13.2015 -174.7 84.8294 -218.123 156.96 -96.2823 -345.633 PRESSAVG: 3223000 -16.4209 -24.0035 7.38421 -24.0035 -7.95122 45.4495 7.38421 45.4495 17.9015 GPRESSAVG: 3223000 -15.0657 -23.7019 7.26918 -25.8195 -8.0333 44.3296 9.97789 46.9708 17.1702 TIMING: 3223000 CPU: 10179.3, 0.00318952/step Wall: 10179.3, 0.00318952/step, 1.57438 hours remaining, 235.210938 MB of memory in use. ENERGY: 3223000 4013.7021 20723.2100 14391.5782 253.8744 -203334.2186 2447.8109 0.0000 0.0000 51990.9019 -109513.1411 298.7924 -161504.0430 -109149.6061 298.9246 -56.7721 -29.9083 761396.7359 -2.1569 -1.9763 PRESSURE: 3223200 109.44 -96.6383 -137.136 -96.6392 -100.024 -169.984 -137.135 -169.984 593.618 GPRESSURE: 3223200 152.241 -81.8127 -135.509 -138.001 -72.7397 -127.817 -79.0457 -115.483 606.974 PRESSAVG: 3223200 1.75411 -79.7187 24.0021 -79.7187 -23.8342 26.5974 24.0021 26.5974 8.25126 GPRESSAVG: 3223200 0.731555 -80.387 25.8495 -79.8741 -24.3051 27.5434 22.332 24.8234 9.85928 TIMING: 3223200 CPU: 10179.9, 0.00317735/step Wall: 10179.9, 0.00317735/step, 1.5682 hours remaining, 235.210938 MB of memory in use. ENERGY: 3223200 4001.5369 20480.1111 14424.2338 235.8078 -203653.0803 2961.7005 0.0000 0.0000 52091.9151 -109457.7752 299.3730 -161549.6902 -109092.0154 299.0101 201.0112 228.8251 760480.5410 -4.6096 -4.5714 PRESSURE: 3223400 244.667 -128.391 308.937 -128.391 -359.168 213.858 308.937 213.858 9.72981 GPRESSURE: 3223400 228.955 -150.788 279.71 -134.668 -271.094 75.1299 234.543 86.7 25.0315 PRESSAVG: 3223400 37.2022 -91.5821 -19.1952 -91.582 -59.1654 41.7405 -19.1952 41.7405 12.8736 GPRESSAVG: 3223400 38.1939 -92.0454 -19.8266 -88.6613 -58.8172 42.2188 -19.9773 41.6649 11.4823 TIMING: 3223400 CPU: 10180.6, 0.00314197/step Wall: 10180.6, 0.00314197/step, 1.55056 hours remaining, 235.210938 MB of memory in use. ENERGY: 3223400 4007.5172 20476.4565 14361.1290 231.5431 -203115.9493 2587.9332 0.0000 0.0000 51953.9077 -109497.4625 298.5798 -161451.3703 -109137.4651 298.6345 -34.9236 -5.7025 761377.6474 -3.0299 -3.0470 PRESSURE: 3223600 64.2554 -103.92 93.6239 -103.92 -88.381 -15.176 93.6248 -15.1761 64.5973 GPRESSURE: 3223600 84.6685 -106.651 91.286 -106.649 -17.8212 57.6521 28.564 -60.5778 72.9785 PRESSAVG: 3223600 -5.47374 -44.5371 -27.2291 -44.5372 9.55924 60.834 -27.2291 60.834 17.9063 GPRESSAVG: 3223600 -5.84745 -45.0524 -27.072 -44.6965 9.69056 62.1974 -27.0069 59.0387 17.8153 TIMING: 3223600 CPU: 10181.2, 0.00314012/step Wall: 10181.2, 0.00314012/step, 1.54947 hours remaining, 235.210938 MB of memory in use. ENERGY: 3223600 3981.7305 20487.5509 14397.2277 249.1972 -203576.7579 2773.7315 0.0000 0.0000 52331.1275 -109356.1927 300.7477 -161687.3202 -108981.4579 298.7777 13.4906 46.6086 761269.1546 7.3306 7.2195 PRESSURE: 3223800 -56.7554 -98.7506 243.924 -98.7508 -4.48819 145.939 243.925 145.938 -400.092 GPRESSURE: 3223800 -192.775 -59.8611 235.469 -163.857 74.0871 62.6329 178.51 142.055 -269.714 PRESSAVG: 3223800 32.7134 -54.2942 21.0689 -54.2942 31.3524 0.640106 21.0689 0.640117 23.6424 GPRESSAVG: 3223800 31.4381 -53.8012 21.6033 -53.7785 32.3446 -1.01099 21.0326 1.49807 23.6816 TIMING: 3223800 CPU: 10181.8, 0.00316614/step Wall: 10181.8, 0.00316614/step, 1.56214 hours remaining, 235.210938 MB of memory in use. ENERGY: 3223800 4071.8155 20573.3200 14424.4527 252.4701 -203190.9974 2443.2679 0.0000 0.0000 52023.8555 -109401.8157 298.9818 -161425.6712 -109045.9847 299.5856 -153.7785 -129.4673 761660.6774 29.2361 29.1548 PRESSURE: 3224000 -156.242 -58.2592 60.5822 -58.2591 43.9505 440.372 60.5825 440.373 -21.2154 GPRESSURE: 3224000 -136.227 -28.0034 0.417473 21.1189 101.026 472.898 22.0798 476.511 -22.2137 PRESSAVG: 3224000 -51.375 -70.6253 74.8618 -70.6253 27.5889 87.2191 74.8619 87.2191 -11.8024 GPRESSAVG: 3224000 -50.2324 -68.5701 72.4011 -71.7771 26.9278 88.1738 72.7832 88.4822 -11.7482 TIMING: 3224000 CPU: 10182.5, 0.00317173/step Wall: 10182.5, 0.00317173/step, 1.56472 hours remaining, 235.210938 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: 3224000 4091.3219 20413.2289 14358.6596 246.5042 -203420.1629 2835.9303 0.0000 0.0000 52098.6759 -109375.8420 299.4118 -161474.5179 -109008.9691 298.9991 -44.5022 -19.1382 762438.7598 -11.8628 -11.6843 PRESSURE: 3224200 -152.158 209.548 9.82337 209.549 -112.22 -23.8673 9.82418 -23.868 63.2618 GPRESSURE: 3224200 -192.956 132.999 23.5666 146.68 -8.51919 -32.312 82.9173 4.14824 69.205 PRESSAVG: 3224200 -28.2976 -15.2332 23.4324 -15.2331 42.1383 52.0572 23.4323 52.0572 -9.60345 GPRESSAVG: 3224200 -27.5792 -16.9994 25.3354 -16.265 42.0838 53.4544 25.4876 48.9896 -9.85682 TIMING: 3224200 CPU: 10183.1, 0.00317723/step Wall: 10183.1, 0.00317723/step, 1.56726 hours remaining, 235.210938 MB of memory in use. ENERGY: 3224200 4034.5604 20532.4517 14448.5857 239.3822 -203508.6690 2627.9866 0.0000 0.0000 52208.2916 -109417.4109 300.0418 -161625.7025 -109042.8623 299.0135 -67.0387 -44.0902 761414.6060 1.4124 1.5493 LDB: ============= START OF LOAD BALANCING ============== 10195.6 LDB: ============== END OF LOAD BALANCING =============== 10195.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10195.6 LDB: ============= START OF LOAD BALANCING ============== 10196 LDB: Largest compute 7057 load 0.032433 is 16.6% of average load 0.195590 LDB: Average compute 0.004384 is 2.2% of average load 0.195590 LDB: TIME 10196 LOAD: AVG 0.19559 MAX 0.212744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 10196 LOAD: AVG 0.19559 MAX 0.212744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: TIME 10196 LOAD: AVG 0.19559 MAX 0.212744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: ============== END OF LOAD BALANCING =============== 10196 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10196 PRESSURE: 3224400 -271.844 49.2981 -9.03736 49.2977 161.166 -100.246 -9.03696 -100.246 72.8054 GPRESSURE: 3224400 -184.129 39.8717 64.9576 -18.0071 145.243 -112.655 -58.9179 -152.485 74.304 PRESSAVG: 3224400 -14.198 -7.22135 -57.9813 -7.2214 -0.941439 -18.5848 -57.9813 -18.5848 21.1644 GPRESSAVG: 3224400 -13.1112 -7.15947 -58.8724 -7.54515 -1.82323 -19.2179 -58.9876 -17.7173 20.8493 TIMING: 3224400 CPU: 10183.7, 0.00323361/step Wall: 10183.7, 0.0032336/step, 1.59489 hours remaining, 234.679688 MB of memory in use. ENERGY: 3224400 3952.6245 20514.1925 14376.8042 230.8085 -203458.2596 2714.3999 0.0000 0.0000 52222.6903 -109446.7398 300.1245 -161669.4300 -109073.4122 299.1580 -12.6244 11.8060 761540.6129 2.0083 1.9716 PRESSURE: 3224600 208.356 77.2529 32.7507 77.2533 -341.328 -2.45146 32.7507 -2.45228 222.798 GPRESSURE: 3224600 262.727 96.5429 52.642 69.8592 -207.067 -23.5004 88.6388 32.5497 146.431 PRESSAVG: 3224600 20.9972 -21.1119 -7.8063 -21.1119 -0.53288 -39.8029 -7.80628 -39.8029 13.0488 GPRESSAVG: 3224600 18.3295 -22.4562 -5.95401 -20.3125 0.962331 -39.1667 -8.31028 -40.7406 13.9643 TIMING: 3224600 CPU: 10184.4, 0.00313858/step Wall: 10184.4, 0.00313859/step, 1.54785 hours remaining, 234.882812 MB of memory in use. ENERGY: 3224600 4032.7960 20481.0147 14455.2181 275.1486 -203169.5350 2657.7667 0.0000 0.0000 51729.1865 -109538.4044 297.2883 -161267.5909 -109190.2736 298.7252 29.9419 67.3636 761435.3107 11.1710 11.0854 PRESSURE: 3224800 226.433 -17.6539 147.294 -17.6546 43.7084 64.0741 147.295 64.0742 196.603 GPRESSURE: 3224800 250.285 -17.815 97.6284 46.1064 74.9848 139.229 152.888 196.402 204.272 PRESSAVG: 3224800 1.38769 32.0849 20.0313 32.0849 -13.2972 1.1331 20.0313 1.13309 2.53733 GPRESSAVG: 3224800 3.61735 31.0789 19.8342 32.1489 -15.5546 0.859941 18.9686 3.15532 2.36775 TIMING: 3224800 CPU: 10185, 0.00313175/step Wall: 10185, 0.00313175/step, 1.5443 hours remaining, 234.882812 MB of memory in use. ENERGY: 3224800 3993.3110 20394.9219 14373.6429 251.2438 -203870.8683 2990.2195 0.0000 0.0000 52097.3156 -109770.2137 299.4040 -161867.5292 -109400.7941 298.7986 155.5814 176.5138 760726.1463 -3.1240 -3.1898 PRESSURE: 3225000 5.4188 78.5558 71.4349 78.5557 -170.849 51.0112 71.4349 51.0117 -50.1584 GPRESSURE: 3225000 37.352 17.1493 121.915 141.45 -185.543 -47.198 60.6422 -80.8592 24.798 PRESSAVG: 3225000 30.0416 -7.43806 14.2375 -7.43807 -9.49387 5.12426 14.2376 5.12432 -21.2478 GPRESSAVG: 3225000 27.5356 -4.23699 14.1964 -8.57087 -7.40787 3.95031 16.1406 3.97212 -20.9263 TIMING: 3225000 CPU: 10185.6, 0.00313596/step Wall: 10185.6, 0.00313596/step, 1.5462 hours remaining, 234.882812 MB of memory in use. ENERGY: 3225000 4014.3599 20418.1812 14339.8662 218.5434 -203332.9050 2793.3394 0.0000 0.0000 51602.5089 -109946.1061 296.5603 -161548.6150 -109591.2834 297.6609 -71.8628 -41.1310 762685.8426 -0.2333 -0.2662 PRESSURE: 3225200 264.398 120.411 -122.586 120.412 155.077 85.5312 -122.587 85.5322 -18.619 GPRESSURE: 3225200 249.023 119.028 -213.499 84.0783 202.803 153.341 -169.211 150.739 20.1674 PRESSAVG: 3225200 39.2939 -4.9882 -26.4224 -4.98818 -19.5839 14.7619 -26.4224 14.762 -4.81108 GPRESSAVG: 3225200 40.0867 -6.81531 -27.7994 -3.4664 -21.0832 15.1252 -24.8327 15.4583 -4.34587 TIMING: 3225200 CPU: 10186.3, 0.00313988/step Wall: 10186.3, 0.00313988/step, 1.54796 hours remaining, 234.882812 MB of memory in use. ENERGY: 3225200 4037.6181 20410.8274 14337.6084 251.0753 -203525.9472 2609.4425 0.0000 0.0000 51729.1416 -110150.2339 297.2881 -161879.3756 -109785.6028 297.8938 133.6189 157.3311 760797.3730 4.9663 4.8859 PRESSURE: 3225400 416.093 -181.629 244.379 -181.63 -21.0426 190.63 244.38 190.628 -200.622 GPRESSURE: 3225400 379.042 -91.0427 265.358 -70.6228 25.9662 211.781 161.008 105.396 -132.53 PRESSAVG: 3225400 49.0872 -5.34972 -11.2466 -5.34969 -38.4672 24.3698 -11.2466 24.3698 17.1041 GPRESSAVG: 3225400 49.6943 -4.55404 -12.0919 -6.47441 -37.26 25.7308 -12.1669 24.6832 15.6667 TIMING: 3225400 CPU: 10186.9, 0.00316229/step Wall: 10186.9, 0.00316229/step, 1.55883 hours remaining, 234.882812 MB of memory in use. ENERGY: 3225400 3956.2526 20373.5409 14414.5424 246.2015 -203487.2327 2772.5144 0.0000 0.0000 51880.1755 -109844.0056 298.1561 -161724.1810 -109483.2026 297.5998 64.8093 90.8261 760726.9816 9.2414 9.3670 PRESSURE: 3225600 -76.4931 167.494 142.369 167.493 191.742 -231.186 142.368 -231.186 -28.2614 GPRESSURE: 3225600 -9.0252 131.06 118.394 96.7946 188.507 -278.331 212.365 -196.959 -9.48892 PRESSAVG: 3225600 5.65802 18.0794 -75.7099 18.0794 14.3047 18.893 -75.71 18.893 -2.39453 GPRESSAVG: 3225600 6.63265 16.8862 -73.2 19.8845 12.8819 16.7179 -76.4058 19.9358 -2.15811 TIMING: 3225600 CPU: 10187.5, 0.00317234/step Wall: 10187.5, 0.00317234/step, 1.56361 hours remaining, 234.882812 MB of memory in use. ENERGY: 3225600 3954.9824 20588.6649 14398.1898 261.5206 -203793.1973 2781.1563 0.0000 0.0000 52094.6830 -109714.0003 299.3889 -161808.6833 -109352.1340 298.3336 28.9959 56.6643 760917.4149 5.8561 5.7855 PRESSURE: 3225800 -51.3465 -104.397 -273.42 -104.396 -85.8295 236.313 -273.42 236.312 -2.12554 GPRESSURE: 3225800 -33.8826 -78.0085 -265.638 -131.204 -46.0893 325.867 -385.149 220.826 1.93393 PRESSAVG: 3225800 11.1164 5.40455 -19.472 5.4046 -21.1706 15.049 -19.4721 15.049 2.01591 GPRESSAVG: 3225800 10.2022 7.25953 -21.5331 3.81475 -21.2031 15.3411 -17.5111 15.8953 2.78399 TIMING: 3225800 CPU: 10188.2, 0.00314876/step Wall: 10188.2, 0.00314876/step, 1.55181 hours remaining, 234.882812 MB of memory in use. ENERGY: 3225800 4032.4405 20473.2949 14431.0998 243.2878 -203482.7172 2712.2051 0.0000 0.0000 51662.3087 -109928.0803 296.9040 -161590.3890 -109577.6496 298.5096 -46.4339 -26.0127 761152.3641 -2.6795 -2.7389 PRESSURE: 3226000 119.856 53.2093 26.3049 53.2081 10.4268 -117.599 26.3048 -117.599 53.8995 GPRESSURE: 3226000 162.554 -40.9467 -43.5998 55.0077 -21.5333 -164.458 70.7724 -130.909 115.368 PRESSAVG: 3226000 25.9619 5.86988 -53.7276 5.86994 -5.77685 -58.5572 -53.7276 -58.5573 5.0131 GPRESSAVG: 3226000 26.0845 3.4331 -53.185 6.69936 -5.338 -58.6454 -55.4818 -60.1654 4.41084 TIMING: 3226000 CPU: 10188.8, 0.00315586/step Wall: 10188.8, 0.00315586/step, 1.55514 hours remaining, 234.882812 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: 3226000 4042.2392 20557.0883 14341.8030 238.8641 -203517.6564 2879.7809 0.0000 0.0000 51723.2201 -109734.6608 297.2541 -161457.8809 -109387.9711 298.2836 61.3941 85.4631 760117.4252 8.3994 8.3858 PRESSURE: 3226200 -93.0198 -98.8265 159.097 -98.8264 105.841 -152.217 159.097 -152.217 -313.164 GPRESSURE: 3226200 -34.4445 -320.681 115.106 -184.706 118.064 -234.157 73.4558 -76.8168 -298.166 PRESSAVG: 3226200 45.3351 -11.8204 -35.4409 -11.8204 -23.3229 34.613 -35.4409 34.6131 -1.99574 GPRESSAVG: 3226200 45.6568 -9.64241 -35.3448 -14.4412 -23.801 33.633 -35.5603 36.5424 -1.5613 TIMING: 3226200 CPU: 10189.4, 0.00316273/step Wall: 10189.4, 0.00316273/step, 1.55835 hours remaining, 234.882812 MB of memory in use. ENERGY: 3226200 3968.8437 20494.1625 14387.0699 254.6377 -203266.4592 2651.7214 0.0000 0.0000 51687.9884 -109822.0355 297.0516 -161510.0239 -109466.8937 298.1933 -100.1144 -71.5154 760271.3548 6.6721 6.7649 PRESSURE: 3226400 -90.2593 62.364 -182.709 62.3635 -151.137 -158.343 -182.709 -158.343 -450.915 GPRESSURE: 3226400 -60.4307 110.106 -116.092 159.605 -66.2131 -196.798 -221.629 -227.951 -466.11 PRESSAVG: 3226400 -49.2071 -12.6713 -2.03216 -12.6713 46.9022 -43.0586 -2.03222 -43.0586 7.70594 GPRESSAVG: 3226400 -49.7389 -12.23 -0.83639 -12.3868 47.4943 -42.1266 -2.88226 -43.3075 7.53354 TIMING: 3226400 CPU: 10190, 0.00314691/step Wall: 10190, 0.00314691/step, 1.55038 hours remaining, 234.882812 MB of memory in use. ENERGY: 3226400 4007.5324 20279.0454 14376.6589 248.4534 -203458.5625 2618.6136 0.0000 0.0000 51980.7176 -109947.5412 298.7339 -161928.2588 -109584.6331 298.2106 -230.7706 -197.5846 760061.1660 1.8003 1.7630 PRESSURE: 3226600 206.649 -101.862 24.9603 -101.862 47.8247 -42.2221 24.9607 -42.2232 -110.912 GPRESSURE: 3226600 264.669 -99.0977 -18.4138 -143.171 73.2225 -82.7342 -16.58 -16.3924 -103.665 PRESSAVG: 3226600 -44.5251 19.0984 -15.765 19.0983 42.834 8.0752 -15.765 8.07519 -0.312446 GPRESSAVG: 3226600 -44.3565 19.1177 -17.0552 20.7146 43.8152 8.5629 -13.3621 5.65581 -1.5871 TIMING: 3226600 CPU: 10190.7, 0.0031724/step Wall: 10190.7, 0.0031724/step, 1.56276 hours remaining, 234.882812 MB of memory in use. ENERGY: 3226600 3968.6880 20496.4868 14342.3622 228.3009 -203902.7678 2908.1958 0.0000 0.0000 51996.8987 -109961.8353 298.8269 -161958.7341 -109605.1009 298.1144 47.8538 78.0756 759915.2134 -0.6678 -0.7095 PRESSURE: 3226800 49.024 90.8725 107.824 90.8732 -213.228 -54.8679 107.824 -54.8674 52.7949 GPRESSURE: 3226800 11.9582 -11.6544 61.396 -15.4601 -111.677 10.4429 148.167 -93.7329 61.1635 PRESSAVG: 3226800 -7.68375 -23.9455 -22.3678 -23.9455 -44.8275 -42.1908 -22.3678 -42.1908 9.51651 GPRESSAVG: 3226800 -7.94101 -25.9806 -20.8626 -24.4833 -45.2708 -40.1941 -22.7839 -42.2313 10.2032 TIMING: 3226800 CPU: 10191.3, 0.00317557/step Wall: 10191.3, 0.00317557/step, 1.56415 hours remaining, 234.882812 MB of memory in use. ENERGY: 3226800 3951.3214 20349.0849 14453.0908 243.2741 -203663.0096 2836.4363 0.0000 0.0000 52039.5374 -109790.2647 299.0719 -161829.8022 -109435.6157 298.1322 -37.1363 -12.8519 760774.6242 -14.3316 -14.3362 PRESSURE: 3227000 -198.278 94.6656 -58.5608 94.6664 70.0245 -274.758 -58.5609 -274.758 68.3602 GPRESSURE: 3227000 -253.362 10.0135 -56.5377 -17.7473 162.167 -308.849 -8.2004 -209.071 132.361 PRESSAVG: 3227000 -9.09836 -21.2433 -7.13327 -21.2433 21.9782 -13.4975 -7.13322 -13.4975 30.429 GPRESSAVG: 3227000 -8.82997 -22.1182 -8.65761 -21.0857 23.8103 -15.3532 -6.53406 -12.4182 29.3497 TIMING: 3227000 CPU: 10191.9, 0.00315089/step Wall: 10191.9, 0.00315089/step, 1.55182 hours remaining, 234.882812 MB of memory in use. ENERGY: 3227000 4003.7640 20356.0613 14410.4429 246.1235 -203501.2997 2908.4355 0.0000 0.0000 51848.5370 -109727.9354 297.9743 -161576.4724 -109368.7161 298.1237 -19.9644 13.7218 762106.1324 14.4363 14.7767 PRESSURE: 3227200 -60.8447 99.2355 93.5033 99.2357 115.553 -0.133757 93.5037 -0.133913 317.886 GPRESSURE: 3227200 -51.6315 69.0176 109.647 140.894 110.51 10.7329 35.9198 -14.9961 385.79 PRESSAVG: 3227200 -55.4104 -5.56268 -30.8089 -5.56267 71.4702 -2.40423 -30.809 -2.4043 2.28745 GPRESSAVG: 3227200 -56.5601 -4.62308 -28.737 -4.15036 70.8465 -1.65889 -31.772 -1.78886 3.20057 TIMING: 3227200 CPU: 10192.6, 0.00315022/step Wall: 10192.6, 0.00315022/step, 1.55131 hours remaining, 234.882812 MB of memory in use. ENERGY: 3227200 3893.8883 20362.1883 14393.7348 226.3161 -203400.0988 2704.1605 0.0000 0.0000 51838.2562 -109981.5546 297.9152 -161819.8108 -109619.1244 298.3943 124.1981 148.2228 761226.3166 6.1158 5.8290 PRESSURE: 3227400 -312.484 177.752 -166.976 177.753 -114.887 9.06903 -166.976 9.0685 -203.319 GPRESSURE: 3227400 -253.788 190.63 -200.772 116.31 -150.987 56.8516 -207.856 -54.4532 -131.924 PRESSAVG: 3227400 -73.6608 19.5354 -86.9133 19.5353 68.8426 47.9353 -86.9132 47.9353 28.1943 GPRESSAVG: 3227400 -73.1772 17.3939 -87.6455 20.3589 69.0555 47.4733 -86.1617 46.5253 27.5442 TIMING: 3227400 CPU: 10193.2, 0.00316787/step Wall: 10193.2, 0.00316787/step, 1.55982 hours remaining, 234.882812 MB of memory in use. ENERGY: 3227400 3955.6121 20492.4250 14460.8708 241.1089 -203829.3076 2994.9371 0.0000 0.0000 51794.4783 -109889.8755 297.6636 -161684.3538 -109527.1372 298.1518 -210.2298 -178.8995 761642.5355 7.7920 7.8075 PRESSURE: 3227600 -84.4872 63.998 -84.4039 63.9978 83.0413 -110.443 -84.4037 -110.443 -192.694 GPRESSURE: 3227600 28.1229 25.9217 -134.066 127.41 80.5788 -203.156 -85.2639 -161.214 -218.727 PRESSAVG: 3227600 -97.5681 24.1732 -67.5094 24.1732 82.6321 -50.9152 -67.5094 -50.9153 -3.78549 GPRESSAVG: 3227600 -96.6324 27.479 -67.0184 21.0619 82.44 -54.2383 -69.7033 -49.9191 -3.8236 TIMING: 3227600 CPU: 10193.8, 0.00316817/step Wall: 10193.8, 0.00316817/step, 1.55979 hours remaining, 234.882812 MB of memory in use. ENERGY: 3227600 3895.8329 20362.9266 14485.6212 249.4386 -203467.4120 2644.9636 0.0000 0.0000 51818.9483 -110009.6808 297.8042 -161828.6291 -109643.6802 297.8566 -64.7134 -36.6751 761198.2913 -6.2405 -6.0053 PRESSURE: 3227800 -143.69 11.7204 278.991 11.7205 -23.4005 57.8427 278.991 57.8422 -218.148 GPRESSURE: 3227800 -114.855 110.877 248.11 -126.357 77.4283 12.3479 165.546 48.7555 -259.825 PRESSAVG: 3227800 -101.459 -11.7758 -12.8576 -11.7758 46.0145 -47.8725 -12.8576 -47.8725 -9.66329 GPRESSAVG: 3227800 -101.184 -12.5882 -13.0159 -10.9253 46.0827 -45.3968 -11.0893 -49.4387 -9.84298 TIMING: 3227800 CPU: 10194.5, 0.00317214/step Wall: 10194.5, 0.00317214/step, 1.56158 hours remaining, 234.882812 MB of memory in use. ENERGY: 3227800 4029.4839 20375.3608 14412.8773 258.3112 -203068.7498 2485.9630 0.0000 0.0000 51633.3277 -109873.4260 296.7374 -161506.7536 -109512.0487 297.5757 -128.4130 -99.0839 761296.0470 -21.7027 -21.6481 PRESSURE: 3228000 -4.67197 57.8343 -168.053 57.8341 34.6162 225.434 -168.054 225.433 224.171 GPRESSURE: 3228000 104.656 89.6571 -175.936 10.6916 43.1656 216.241 -141.687 122.603 180.726 PRESSAVG: 3228000 -13.3974 -26.1336 -92.5216 -26.1336 31.2761 3.32663 -92.5216 3.32664 -5.11535 GPRESSAVG: 3228000 -13.5887 -28.8033 -92.6351 -26.2786 30.365 4.60326 -94.7929 5.3438 -4.12309 TIMING: 3228000 CPU: 10195.1, 0.00318084/step Wall: 10195.1, 0.00318084/step, 1.56568 hours remaining, 234.882812 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: 3228000 4003.3466 20425.2182 14403.1631 256.5526 -203849.3919 3128.9700 0.0000 0.0000 51801.2896 -109830.8518 297.7027 -161632.1414 -109470.1761 297.8117 84.7052 109.5158 761712.8951 4.2544 4.2177 PRESSURE: 3228200 -19.0335 -20.5718 -173.498 -20.572 215.87 110.747 -173.498 110.747 8.15759 GPRESSURE: 3228200 -47.9222 26.7271 -146.994 -194.207 230.935 145.765 67.5405 107.024 128.718 PRESSAVG: 3228200 -11.3364 6.76598 15.1317 6.76604 21.3391 -20.0406 15.1317 -20.0407 7.43379 GPRESSAVG: 3228200 -11.6604 8.71428 14.3061 8.97752 21.9368 -20.7214 17.3236 -22.1439 7.27069 TIMING: 3228200 CPU: 10195.7, 0.00316365/step Wall: 10195.7, 0.00316365/step, 1.55704 hours remaining, 234.882812 MB of memory in use. ENERGY: 3228200 4047.7758 20393.6720 14373.0873 229.3775 -203472.6328 2795.9990 0.0000 0.0000 51991.1728 -109641.5486 298.7940 -161632.7213 -109277.9791 298.5491 68.3312 103.9103 760551.5294 5.8122 5.8490 LDB: ============= START OF LOAD BALANCING ============== 10208.3 LDB: ============== END OF LOAD BALANCING =============== 10208.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10208.3 LDB: ============= START OF LOAD BALANCING ============== 10208.6 LDB: Largest compute 7076 load 0.032212 is 16.5% of average load 0.195701 LDB: Average compute 0.004373 is 2.2% of average load 0.195701 LDB: TIME 10208.6 LOAD: AVG 0.195701 MAX 0.213176 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.023 MB LDB: TIME 10208.6 LOAD: AVG 0.195701 MAX 0.213176 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.09 MB LDB: TIME 10208.6 LOAD: AVG 0.195701 MAX 0.213176 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.09 MB LDB: ============== END OF LOAD BALANCING =============== 10208.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10208.6 PRESSURE: 3228400 -306.073 -78.3425 -178.45 -78.3421 -3.39438 111.35 -178.45 111.35 62.8373 GPRESSURE: 3228400 -217.279 -103.449 -141.126 -114.105 -97.6532 96.8548 -240.843 53.3575 154.652 PRESSAVG: 3228400 -42.7961 28.188 -34.4148 28.188 67.3642 -6.33026 -34.4148 -6.33034 -14.7208 GPRESSAVG: 3228400 -42.4008 29.0802 -34.335 26.2056 67.5822 -7.34952 -34.9659 -4.46349 -14.7087 TIMING: 3228400 CPU: 10196.4, 0.00325268/step Wall: 10196.4, 0.00325268/step, 1.60068 hours remaining, 235.140625 MB of memory in use. ENERGY: 3228400 4026.3126 20403.9014 14317.5931 258.7033 -203600.3703 2710.9075 0.0000 0.0000 52013.8014 -109869.1509 298.9240 -161882.9523 -109508.4356 299.0892 -82.2101 -53.4266 760866.9406 3.2824 3.4909 PRESSURE: 3228600 -78.8066 -95.7202 68.647 -95.7203 -128.475 -202.412 68.6465 -202.412 -253.17 GPRESSURE: 3228600 -116.321 -66.3973 114.86 -64.7249 -77.7583 -248.91 -1.67575 -252.921 -185.775 PRESSAVG: 3228600 -26.2875 26.6955 -28.9085 26.6955 29.8848 -27.7594 -28.9085 -27.7595 -1.21474 GPRESSAVG: 3228600 -25.5067 27.3206 -29.0841 26.3266 30.9693 -27.767 -28.4758 -28.1997 -2.89679 TIMING: 3228600 CPU: 10197, 0.00317044/step Wall: 10197, 0.00317044/step, 1.56003 hours remaining, 235.207031 MB of memory in use. ENERGY: 3228600 4060.3194 20387.2336 14382.9119 222.5236 -203712.1051 2669.9094 0.0000 0.0000 52167.4267 -109821.7806 299.8069 -161989.2073 -109461.1147 298.1626 -153.4839 -126.6182 761759.6258 0.7942 0.8553 PRESSURE: 3228800 -14.0756 235.128 -54.0324 235.128 108.688 -44.604 -54.0325 -44.603 -210.926 GPRESSURE: 3228800 49.0793 291.567 -114.008 253.032 151.643 -7.60183 -50.5924 -126.052 -234.776 PRESSAVG: 3228800 -41.7977 -18.3669 26.9127 -18.3669 11.639 -4.40381 26.9127 -4.40377 -5.08974 GPRESSAVG: 3228800 -42.9474 -19.0489 26.7373 -17.2338 11.6372 -3.42944 25.3184 -6.44549 -4.543 TIMING: 3228800 CPU: 10197.7, 0.00319017/step Wall: 10197.7, 0.00319017/step, 1.56956 hours remaining, 235.207031 MB of memory in use. ENERGY: 3228800 3993.0163 20414.3808 14474.8416 259.7031 -203076.5307 2618.1220 0.0000 0.0000 51572.4509 -109744.0159 296.3876 -161316.4668 -109374.1954 298.1293 -38.7712 -11.3512 762944.8778 -11.7495 -11.9511 PRESSURE: 3229000 -484.159 -116.331 192.669 -116.331 -117.314 -5.17955 192.669 -5.17846 -139.693 GPRESSURE: 3229000 -407.012 -121.575 195.943 -135.521 -51.5979 23.92 240.604 126.438 -203.65 PRESSAVG: 3229000 -50.5038 23.8073 -18.2678 23.8073 1.92176 48.0597 -18.2678 48.0598 18.1366 GPRESSAVG: 3229000 -50.8147 23.49 -17.2841 23.3328 1.32642 47.893 -16.3317 49.0631 17.9403 TIMING: 3229000 CPU: 10198.3, 0.00316669/step Wall: 10198.3, 0.00316669/step, 1.55784 hours remaining, 235.207031 MB of memory in use. ENERGY: 3229000 4006.4554 20502.0030 14404.0421 250.6921 -203937.6862 2902.8749 0.0000 0.0000 52052.8047 -109818.8140 299.1482 -161871.6187 -109463.1669 297.9973 -247.0554 -220.7533 762995.1193 -10.1485 -10.5160 PRESSURE: 3229200 19.3327 -20.7952 -157.068 -20.7954 -296.573 254.709 -157.068 254.709 79.8065 GPRESSURE: 3229200 38.0925 -78.0188 -156.42 -4.94376 -251.923 285.868 -200.618 186.233 112.317 PRESSAVG: 3229200 29.3991 -26.8327 -56.0679 -26.8328 4.67454 1.42975 -56.0679 1.42973 -6.65524 GPRESSAVG: 3229200 29.6804 -26.6667 -56.0254 -28.0843 4.74938 1.40019 -56.6615 1.80246 -6.49469 TIMING: 3229200 CPU: 10198.9, 0.0031721/step Wall: 10198.9, 0.0031721/step, 1.56032 hours remaining, 235.207031 MB of memory in use. ENERGY: 3229200 3950.8279 20320.3570 14426.9977 247.8060 -203575.0322 2725.0211 0.0000 0.0000 52337.3714 -109566.6511 300.7836 -161904.0225 -109196.3035 298.9818 -65.8112 -33.8381 762879.4716 9.1395 9.3117 PRESSURE: 3229400 -49.9971 -202.402 -335.8 -202.401 -87.687 -158.309 -335.801 -158.311 -167.32 GPRESSURE: 3229400 -23.8763 -72.9461 -422.212 -222.151 -127.655 -179.407 -211.281 -166.904 -61.254 PRESSAVG: 3229400 -43.1875 -1.70991 -47.6757 -1.7099 49.3738 61.6852 -47.6757 61.6852 -28.1555 GPRESSAVG: 3229400 -44.1639 -1.55022 -48.424 -0.659829 49.539 62.6203 -47.6551 63.0722 -27.5899 TIMING: 3229400 CPU: 10199.6, 0.00317349/step Wall: 10199.6, 0.00317349/step, 1.56083 hours remaining, 235.207031 MB of memory in use. ENERGY: 3229400 4052.3683 20382.8411 14387.1735 240.5980 -203582.4070 2796.8284 0.0000 0.0000 52067.0212 -109655.5766 299.2299 -161722.5978 -109292.8478 298.9230 -101.6682 -70.9284 763088.0638 -7.3231 -7.4049 PRESSURE: 3229600 -168.449 -39.2528 169.817 -39.2523 -217.61 -63.8427 169.817 -63.8415 -286.975 GPRESSURE: 3229600 -174.337 -146.066 179.87 -29.1533 -213.765 -108.068 -7.69136 -191.932 -186.699 PRESSAVG: 3229600 -23.4731 -19.1988 29.6665 -19.1987 61.3178 22.8041 29.6665 22.8041 13.7977 GPRESSAVG: 3229600 -22.7086 -21.0953 28.2652 -19.2001 59.8313 21.8963 30.6911 20.4736 14.2342 TIMING: 3229600 CPU: 10200.2, 0.00317952/step Wall: 10200.2, 0.00317952/step, 1.56362 hours remaining, 235.207031 MB of memory in use. ENERGY: 3229600 4038.1290 20461.0384 14409.7321 263.2691 -203453.7251 2538.7675 0.0000 0.0000 52153.7052 -109589.0838 299.7281 -161742.7890 -109223.3713 298.4670 -224.3448 -191.6004 762723.8640 17.2141 17.1190 PRESSURE: 3229800 137.138 -60.7753 -212.219 -60.7763 312.476 -135.144 -212.219 -135.144 -351.852 GPRESSURE: 3229800 242.302 -49.5287 -243.158 -67.1987 295.304 -256.695 -85.0347 -29.8687 -368.517 PRESSAVG: 3229800 -18.4764 18.2646 20.5089 18.2646 7.5367 -16.3141 20.509 -16.314 -24.2679 GPRESSAVG: 3229800 -17.7526 20.9166 20.543 17.5218 8.28474 -17.6494 21.1624 -15.3754 -25.5724 TIMING: 3229800 CPU: 10200.8, 0.00317453/step Wall: 10200.8, 0.00317453/step, 1.56099 hours remaining, 235.207031 MB of memory in use. ENERGY: 3229800 3940.1862 20568.4574 14380.8321 225.1722 -203685.4359 2661.1617 0.0000 0.0000 51999.5569 -109910.0695 298.8422 -161909.6264 -109545.5290 298.5320 32.5874 56.3627 760909.6323 -11.7359 -11.6801 PRESSURE: 3230000 38.8589 70.9998 -155.707 71.0001 -83.2096 279.409 -155.707 279.409 -139.948 GPRESSURE: 3230000 9.40958 8.31801 -238.786 69.5189 -5.73329 140.034 -15.8771 304.26 -114.882 PRESSAVG: 3230000 46.3379 4.46472 11.1789 4.46476 -19.0402 24.1759 11.1789 24.1759 -7.05898 GPRESSAVG: 3230000 45.3756 2.79938 12.7772 4.79205 -18.6961 24.345 11.5931 24.8032 -6.9486 TIMING: 3230000 CPU: 10201.5, 0.00317162/step Wall: 10201.5, 0.00317162/step, 1.55938 hours remaining, 235.410156 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: 3230000 3984.9331 20410.7685 14449.4242 241.5094 -203754.3174 2848.4968 0.0000 0.0000 52025.2687 -109793.9168 298.9899 -161819.1854 -109427.9702 298.4091 -61.4328 -37.0686 761296.8232 6.7462 6.5770 PRESSURE: 3230200 -187.564 -57.2608 -291.193 -57.261 -205.648 -317.769 -291.192 -317.768 -93.1621 GPRESSURE: 3230200 -133.637 -69.8406 -257.873 11.2206 -149.658 -329.471 -296.911 -323.903 -110.935 PRESSAVG: 3230200 -11.629 -73.3359 8.56746 -73.3359 29.4674 -25.1278 8.56746 -25.1277 -1.94803 GPRESSAVG: 3230200 -12.1924 -74.0362 8.39376 -71.5863 29.7369 -25.4648 7.5711 -25.6448 -1.94404 TIMING: 3230200 CPU: 10202.1, 0.00317279/step Wall: 10202.1, 0.00317279/step, 1.55978 hours remaining, 235.410156 MB of memory in use. ENERGY: 3230200 3957.2501 20420.7173 14353.5153 228.8412 -203723.7379 2995.5903 0.0000 0.0000 52198.2107 -109569.6129 299.9838 -161767.8236 -109205.7646 298.9332 -162.1247 -131.4100 762944.3408 5.2968 5.2002 PRESSURE: 3230400 103.215 132.651 -68.5151 132.651 -482.917 105.824 -68.5151 105.822 136.641 GPRESSURE: 3230400 144.07 164.953 -140.09 191.484 -418.684 44.3467 -84.1071 150.04 119.943 PRESSAVG: 3230400 -2.92538 -54.8264 -37.6511 -54.8265 10.8667 22.1286 -37.651 22.1286 -8.72408 GPRESSAVG: 3230400 -1.32807 -56.2755 -37.6649 -54.8667 9.65502 23.8316 -40.5227 20.2676 -8.96748 TIMING: 3230400 CPU: 10202.7, 0.00317248/step Wall: 10202.7, 0.00317248/step, 1.55945 hours remaining, 235.410156 MB of memory in use. ENERGY: 3230400 3986.3523 20525.0524 14384.3550 244.5640 -203192.9636 2599.1543 0.0000 0.0000 51981.3235 -109472.1621 298.7374 -161453.4856 -109107.5924 298.7300 -81.0203 -51.5571 761174.7042 -0.2609 -0.2135 PRESSURE: 3230600 150.792 16.4513 8.16006 16.4516 180.171 80.3343 8.15944 80.3344 150.829 GPRESSURE: 3230600 217.597 42.5086 30.554 -70.6386 154.816 28.5586 8.78937 140.844 190.802 PRESSAVG: 3230600 8.31581 34.9806 56.1539 34.9806 5.15417 -0.646923 56.1539 -0.646904 -17.4214 GPRESSAVG: 3230600 6.80934 37.1369 57.6272 33.4308 6.37815 -0.402064 57.2429 1.60065 -17.1106 TIMING: 3230600 CPU: 10203.4, 0.0031838/step Wall: 10203.4, 0.0031838/step, 1.56484 hours remaining, 235.410156 MB of memory in use. ENERGY: 3230600 3952.3393 20556.9289 14354.7667 261.1317 -203080.4894 2552.7368 0.0000 0.0000 51999.6191 -109402.9668 298.8425 -161402.5859 -109052.4872 298.8704 160.5975 187.7383 762405.8293 -1.3171 -1.3077 PRESSURE: 3230800 -442.997 -22.2678 -108.999 -22.2664 66.5387 -110.536 -108.999 -110.536 454.438 GPRESSURE: 3230800 -336.044 67.8478 -175.46 -43.8334 15.8233 -132.53 21.981 -79.9389 488.895 PRESSAVG: 3230800 -29.2434 22.4606 1.02321 22.4606 70.7983 -5.98143 1.02323 -5.98137 -17.282 GPRESSAVG: 3230800 -28.975 22.7613 -1.20476 22.9547 71.4232 -7.02832 3.90778 -5.93324 -17.5998 TIMING: 3230800 CPU: 10204, 0.00318509/step Wall: 10204, 0.00318509/step, 1.5653 hours remaining, 235.410156 MB of memory in use. ENERGY: 3230800 3973.5065 20528.5974 14426.6490 232.1583 -203415.7146 2609.0458 0.0000 0.0000 52143.9188 -109501.8387 299.6718 -161645.7575 -109135.5675 298.9912 25.9933 56.2247 760884.5016 8.0910 8.2828 PRESSURE: 3231000 184.944 218.243 -94.507 218.243 -86.3453 -29.0225 -94.5067 -29.022 49.7089 GPRESSURE: 3231000 239.346 114.193 -34.9772 144.463 -93.5167 90.3799 -112.106 -44.1657 95.8707 PRESSAVG: 3231000 -41.6791 25.3349 2.49145 25.3348 51.1247 -15.719 2.49137 -15.719 3.44957 GPRESSAVG: 3231000 -41.7619 23.9236 4.57083 24.6685 50.2973 -15.5893 1.20699 -16.0671 3.90173 TIMING: 3231000 CPU: 10204.7, 0.00318056/step Wall: 10204.7, 0.00318056/step, 1.56289 hours remaining, 235.410156 MB of memory in use. ENERGY: 3231000 3949.5053 20568.4795 14404.1283 238.4020 -203045.8453 2496.4680 0.0000 0.0000 51810.8088 -109578.0534 297.7574 -161388.8622 -109222.7389 299.0326 49.4359 80.5667 761885.3395 4.2984 4.1457 PRESSURE: 3231200 -188.19 58.2346 67.5811 58.235 -225.353 264.525 67.5802 264.524 -20.8273 GPRESSURE: 3231200 -109.737 79.8614 115.079 -46.1814 -188.369 264.235 9.2866 208.659 -65.7922 PRESSAVG: 3231200 3.75342 -22.2206 28.7704 -22.2206 12.7109 2.28405 28.7704 2.28393 1.91224 GPRESSAVG: 3231200 5.53997 -20.4331 26.8697 -22.6028 11.8847 4.12172 28.9894 1.03623 1.15123 TIMING: 3231200 CPU: 10205.3, 0.00317646/step Wall: 10205.3, 0.00317646/step, 1.5607 hours remaining, 235.410156 MB of memory in use. ENERGY: 3231200 4031.2723 20588.4545 14453.0315 245.0465 -202705.7727 2152.8761 0.0000 0.0000 51553.4116 -109681.6803 296.2782 -161235.0919 -109329.1984 298.3617 -144.7900 -121.2994 762234.8696 6.1255 6.1920 PRESSURE: 3231400 366.574 -263.876 122.166 -263.876 357.08 -43.7094 122.166 -43.7093 95.0699 GPRESSURE: 3231400 346.987 -270.973 182.153 -265.886 425.655 -14.1247 30.1587 -2.61152 133.503 PRESSAVG: 3231400 -35.6937 42.2048 38.7633 42.2047 59.8484 19.0157 38.7634 19.0157 12.3066 GPRESSAVG: 3231400 -36.9687 43.1303 39.7871 42.4877 61.2068 17.861 36.588 18.608 12.6663 TIMING: 3231400 CPU: 10205.9, 0.00317316/step Wall: 10205.9, 0.00317316/step, 1.5589 hours remaining, 235.410156 MB of memory in use. ENERGY: 3231400 3948.0511 20330.6981 14421.0980 237.5840 -204142.9641 3222.9885 0.0000 0.0000 52267.5312 -109715.0134 300.3822 -161982.5446 -109345.5242 298.5644 272.9081 302.0480 762473.2094 12.1538 12.3014 PRESSURE: 3231600 29.3498 188.782 -127.794 188.783 91.8697 7.42302 -127.794 7.42386 -29.8098 GPRESSURE: 3231600 69.4681 140.874 -133.438 96.2631 156.214 -26.0786 -123.793 50.1031 -45.5519 PRESSAVG: 3231600 0.374347 -6.89457 -5.32348 -6.89455 6.54403 46.0687 -5.3235 46.0687 -27.8156 GPRESSAVG: 3231600 0.348325 -10.2747 -5.41444 -6.71815 5.84403 45.4642 -5.94452 46.1832 -27.1848 TIMING: 3231600 CPU: 10206.6, 0.00316386/step Wall: 10206.6, 0.00316386/step, 1.55416 hours remaining, 235.410156 MB of memory in use. ENERGY: 3231600 3978.4305 20574.6182 14422.7203 230.1415 -203702.8333 2835.7102 0.0000 0.0000 52010.9083 -109650.3045 298.9074 -161661.2127 -109289.6807 299.0296 30.4699 60.0435 762911.7308 -6.9658 -6.9975 PRESSURE: 3231800 -315.531 57.5697 267.486 57.5698 9.47429 140.487 267.485 140.487 263.1 GPRESSURE: 3231800 -130.903 45.6866 207.564 182.952 -37.5948 47.8882 209.145 28.5818 227.485 PRESSAVG: 3231800 -49.9 70.6379 46.5007 70.6379 36.1451 65.6656 46.5007 65.6656 21.9347 GPRESSAVG: 3231800 -50.1202 70.8803 45.4389 70.0171 37.2733 66.529 46.7114 66.7497 20.9722 TIMING: 3231800 CPU: 10207.2, 0.00317014/step Wall: 10207.2, 0.00317014/step, 1.55707 hours remaining, 235.410156 MB of memory in use. ENERGY: 3231800 4004.7030 20422.8893 14433.0368 251.7637 -203258.1604 2473.6674 0.0000 0.0000 52019.9401 -109652.1601 298.9593 -161672.1002 -109286.2420 298.9317 -14.3189 19.6622 762496.8420 2.7266 2.7084 PRESSURE: 3232000 194.58 14.2041 -111.029 14.2037 -118.559 -84.2256 -111.03 -84.2268 248.277 GPRESSURE: 3232000 95.2009 19.8146 -139.861 7.94309 2.45536 -93.6147 39.3413 2.28969 300.184 PRESSAVG: 3232000 54.8625 47.769 -12.2345 47.769 -36.7277 16.1339 -12.2346 16.1339 6.0624 GPRESSAVG: 3232000 53.9165 47.8576 -9.27312 49.571 -37.1412 15.893 -11.8875 17.5221 6.68357 TIMING: 3232000 CPU: 10207.8, 0.00318785/step Wall: 10207.8, 0.00318785/step, 1.56559 hours remaining, 235.410156 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: 3232000 4011.7608 20509.8623 14474.6523 236.9817 -203497.7250 2755.6562 0.0000 0.0000 51965.3425 -109543.4692 298.6455 -161508.8117 -109177.4599 298.6374 108.0994 132.6136 761345.5842 8.0657 7.8196 PRESSURE: 3232200 -374.198 67.54 105.189 67.5407 48.8125 43.2299 105.19 43.2294 304.14 GPRESSURE: 3232200 -202.303 22.2205 -8.63033 89.3703 -42.7414 -11.3337 19.6291 83.3788 277.428 PRESSAVG: 3232200 -17.3374 6.08534 19.9149 6.08535 -18.0244 20.8729 19.9149 20.873 -15.068 GPRESSAVG: 3232200 -15.2104 6.83867 18.2641 2.39865 -19.5971 20.6815 21.2294 18.6892 -15.7783 TIMING: 3232200 CPU: 10208.5, 0.00318576/step Wall: 10208.5, 0.00318576/step, 1.56438 hours remaining, 235.410156 MB of memory in use. ENERGY: 3232200 4011.5020 20504.4769 14342.2067 269.5567 -203264.0442 2556.2909 0.0000 0.0000 52284.6786 -109295.3324 300.4808 -161580.0110 -108933.1245 299.2489 -7.0818 10.7948 762891.9587 -16.8099 -16.8620 LDB: ============= START OF LOAD BALANCING ============== 10221 LDB: ============== END OF LOAD BALANCING =============== 10221 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10221 LDB: ============= START OF LOAD BALANCING ============== 10221.3 LDB: Largest compute 7030 load 0.034467 is 17.6% of average load 0.195525 LDB: Average compute 0.004396 is 2.2% of average load 0.195525 LDB: TIME 10221.3 LOAD: AVG 0.195525 MAX 0.215011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 10221.3 LOAD: AVG 0.195525 MAX 0.215011 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 10221.3 LOAD: AVG 0.195525 MAX 0.215011 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 10221.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10221.3 PRESSURE: 3232400 71.9778 -121.157 -24.2427 -121.157 352.748 -31.9557 -24.2426 -31.9558 -244.478 GPRESSURE: 3232400 136.896 -127.433 18.8623 -100.239 351.824 -10.1043 7.65154 79.899 -226.587 PRESSAVG: 3232400 23.4067 25.0098 -20.8953 25.0098 -11.3127 13.6923 -20.8952 13.6923 -16.6232 GPRESSAVG: 3232400 21.1863 24.8072 -21.1385 26.518 -9.83137 12.6625 -20.4354 15.6141 -15.1584 TIMING: 3232400 CPU: 10209.1, 0.00324986/step Wall: 10209.1, 0.00324986/step, 1.59568 hours remaining, 236.386719 MB of memory in use. ENERGY: 3232400 4039.1041 20411.8181 14462.1947 242.5507 -203210.2616 2735.3343 0.0000 0.0000 51987.8549 -109331.4048 298.7749 -161319.2597 -108961.9393 299.1837 60.0825 87.3775 761699.1404 -1.5097 -1.2679 PRESSURE: 3232600 -218.659 202.393 216.163 202.393 -76.0211 174.92 216.164 174.919 -169.103 GPRESSURE: 3232600 -136.911 159.436 209.749 185.743 -77.8369 123.8 269.665 168.936 -168.491 PRESSAVG: 3232600 21.548 1.93491 -18.8421 1.93492 2.06176 28.9967 -18.8421 28.9967 8.75424 GPRESSAVG: 3232600 23.3735 3.24764 -17.9524 2.30086 1.64126 29.5436 -19.6267 28.5233 7.12071 TIMING: 3232600 CPU: 10209.8, 0.00318714/step Wall: 10209.8, 0.00318714/step, 1.56471 hours remaining, 236.589844 MB of memory in use. ENERGY: 3232600 4025.1633 20403.9759 14405.6890 270.5210 -203031.1205 2555.3101 0.0000 0.0000 51912.6656 -109457.7956 298.3428 -161370.4612 -109095.3591 298.8347 -154.5944 -127.7464 761268.4346 10.7880 10.7118 PRESSURE: 3232800 43.6538 19.2328 28.7913 19.2335 -305.295 39.6242 28.7915 39.6249 -284.826 GPRESSURE: 3232800 61.3996 64.0181 -38.9601 -0.971274 -296.574 30.0666 -21.8269 22.7228 -218.764 PRESSAVG: 3232800 -47.687 -7.39471 12.1967 -7.3947 15.7518 8.27389 12.1967 8.27391 0.584872 GPRESSAVG: 3232800 -48.3825 -8.51035 11.3694 -8.86385 14.8755 9.20651 11.7429 9.5926 1.87323 TIMING: 3232800 CPU: 10210.4, 0.00316738/step Wall: 10210.4, 0.00316738/step, 1.55483 hours remaining, 236.589844 MB of memory in use. ENERGY: 3232800 3987.5223 20500.8064 14481.2331 243.2744 -203290.8061 2547.2906 0.0000 0.0000 52088.0765 -109442.6028 299.3509 -161530.6792 -109084.6724 298.9457 -182.1556 -151.3129 761385.2532 -10.4501 -10.5446 PRESSURE: 3233000 80.3049 34.3838 -80.0142 34.3836 355.428 -169.096 -80.0141 -169.096 48.6212 GPRESSURE: 3233000 214.761 64.5091 -80.1594 -4.36963 302.874 -176.307 62.0378 -208.563 71.8838 PRESSAVG: 3233000 47.2717 -54.7616 -3.49002 -54.7616 -67.1041 5.07867 -3.48998 5.07871 -10.6563 GPRESSAVG: 3233000 48.0437 -52.8468 -2.68435 -54.6999 -67.363 3.13034 -3.70611 3.46059 -11.0912 TIMING: 3233000 CPU: 10211, 0.00321079/step Wall: 10211, 0.00321079/step, 1.57596 hours remaining, 236.589844 MB of memory in use. ENERGY: 3233000 3892.8030 20439.8843 14446.8186 250.5659 -202874.5046 2614.9280 0.0000 0.0000 52042.8712 -109186.6336 299.0911 -161229.5048 -108830.6873 298.9939 161.4513 196.5061 761989.7668 -10.1629 -10.1368 PRESSURE: 3233200 -105.253 -122.545 -103.503 -122.545 -24.9686 12.0859 -103.503 12.0864 -164.458 GPRESSURE: 3233200 -86.3347 -138.449 -211.254 -200.763 69.1328 42.6849 48.8809 100.479 -165.121 PRESSAVG: 3233200 19.088 -18.684 -34.2595 -18.684 1.77658 -17.8262 -34.2595 -17.8262 -3.02166 GPRESSAVG: 3233200 19.3465 -18.5085 -33.9781 -19.1929 2.26519 -18.5551 -32.3415 -17.7916 -3.05353 TIMING: 3233200 CPU: 10211.7, 0.0031827/step Wall: 10211.7, 0.0031827/step, 1.562 hours remaining, 236.589844 MB of memory in use. ENERGY: 3233200 4011.3224 20756.4842 14452.9168 220.6908 -203034.8023 2491.7467 0.0000 0.0000 51915.6019 -109186.0396 298.3597 -161101.6414 -108828.7254 299.5555 -98.2266 -60.7744 761205.8684 5.9476 6.1861 PRESSURE: 3233400 -41.4768 -276.692 109.085 -276.691 -12.5728 -120.153 109.086 -120.154 -225.954 GPRESSURE: 3233400 -85.5573 -219.305 39.8483 -183.374 58.0554 -120.09 102.455 -38.2275 -187.929 PRESSAVG: 3233400 -90.0541 -4.2712 6.99588 -4.2712 56.0617 -12.9882 6.99593 -12.9882 24.1665 GPRESSAVG: 3233400 -92.2063 -5.48698 5.8632 -3.33112 57.2268 -10.7229 5.3678 -12.9669 24.5551 TIMING: 3233400 CPU: 10212.3, 0.003199/step Wall: 10212.3, 0.003199/step, 1.56982 hours remaining, 236.589844 MB of memory in use. ENERGY: 3233400 3926.2233 20629.3533 14541.8253 259.3808 -203441.9682 2670.6933 0.0000 0.0000 52265.9707 -109148.5215 300.3733 -161414.4922 -108779.4731 299.6627 -93.3344 -71.8102 761899.6720 -3.2753 -3.4748 PRESSURE: 3233600 -72.2862 102.593 13.4926 102.594 97.4345 -140.37 13.4925 -140.37 -1.82358 GPRESSURE: 3233600 110.112 50.3512 -19.5964 41.1007 86.1683 -150.162 34.0319 -78.9351 -77.6916 PRESSAVG: 3233600 16.3664 19.6478 49.4383 19.6478 -16.22 27.4668 49.4383 27.4669 17.3304 GPRESSAVG: 3233600 19.3888 19.4272 49.9341 21.2671 -18.6491 27.4241 50.6679 27.287 17.0649 TIMING: 3233600 CPU: 10212.9, 0.00317888/step Wall: 10212.9, 0.00317888/step, 1.55977 hours remaining, 236.589844 MB of memory in use. ENERGY: 3233600 3980.9506 20477.9223 14541.7961 235.6966 -202958.6409 2564.9402 0.0000 0.0000 52083.2236 -109074.1114 299.3230 -161157.3350 -108708.3287 300.1870 7.7749 39.5297 762747.3926 5.8256 5.9349 PRESSURE: 3233800 115.671 -134.94 73.7715 -134.94 -380.417 6.42309 73.7714 6.4236 218.049 GPRESSURE: 3233800 116.337 -194.741 178.8 53.273 -283.49 -49.898 110.512 14.0935 225.65 PRESSAVG: 3233800 17.4084 -16.4175 -0.200142 -16.4175 9.47103 41.4193 -0.200197 41.4193 1.60862 GPRESSAVG: 3233800 16.8142 -16.8856 0.30785 -15.8931 11.1056 39.0567 -2.26179 41.7693 0.512251 TIMING: 3233800 CPU: 10213.6, 0.00316427/step Wall: 10213.6, 0.00316427/step, 1.55243 hours remaining, 236.589844 MB of memory in use. ENERGY: 3233800 4015.4849 20395.7161 14475.5799 244.0992 -203442.7847 3120.0369 0.0000 0.0000 52091.8420 -109100.0257 299.3725 -161191.8677 -108739.3239 300.0234 -15.5657 19.4991 763477.6158 9.4960 9.4774 PRESSURE: 3234000 192.22 76.4976 28.6374 76.4971 233.814 -218.585 28.6369 -218.585 174.972 GPRESSURE: 3234000 217.561 182.478 19.4808 143.232 263.524 -214.893 -46.8336 -6.19365 208.954 PRESSAVG: 3234000 11.6048 12.2793 -37.0414 12.2792 -29.7097 10.3175 -37.0414 10.3175 -17.0763 GPRESSAVG: 3234000 11.5832 12.6882 -37.7457 8.86553 -29.6664 12.1339 -34.397 11.0467 -16.4418 TIMING: 3234000 CPU: 10214.2, 0.00314643/step Wall: 10214.2, 0.00314643/step, 1.5435 hours remaining, 236.589844 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: 3234000 3925.4260 20506.1327 14385.0990 249.0439 -203230.0348 2961.9091 0.0000 0.0000 52090.0407 -109112.3834 299.3622 -161202.4241 -108751.5052 299.1963 200.3354 230.0129 763417.8608 -11.7271 -11.5083 PRESSURE: 3234200 -54.6719 -37.4717 -159.776 -37.4718 34.4172 207.685 -159.777 207.684 -382.966 GPRESSURE: 3234200 -29.2745 -51.9577 -88.2827 -14.1019 -2.46572 233.917 -254.498 219.716 -285.104 PRESSAVG: 3234200 -5.35809 19.238 -63.3689 19.238 43.3266 -20.4904 -63.3689 -20.4904 5.72032 GPRESSAVG: 3234200 -6.9634 20.5727 -64.8097 18.7092 44.3632 -19.6638 -63.909 -21.1648 6.47741 TIMING: 3234200 CPU: 10214.8, 0.00316203/step Wall: 10214.8, 0.00316203/step, 1.55098 hours remaining, 236.589844 MB of memory in use. ENERGY: 3234200 3948.6624 20633.9690 14422.6169 260.2845 -203475.1943 2824.9201 0.0000 0.0000 52167.9281 -109216.8132 299.8098 -161384.7413 -108860.6415 299.8540 -134.4070 -105.6148 762057.1949 14.5629 14.6257 PRESSURE: 3234400 196.441 -3.11463 16.3657 -3.1149 348.678 -22.0677 16.365 -22.0668 336.515 GPRESSURE: 3234400 320.817 66.6186 54.061 22.6938 346.652 -33.2651 43.7346 11.8398 309.701 PRESSAVG: 3234400 14.9661 22.8355 12.3769 22.8354 8.14303 4.39046 12.3768 4.39055 22.2588 GPRESSAVG: 3234400 15.5819 21.7262 14.3094 26.2222 6.72667 3.83667 12.7228 5.23673 22.8771 TIMING: 3234400 CPU: 10215.5, 0.00317543/step Wall: 10215.5, 0.00317543/step, 1.55737 hours remaining, 236.589844 MB of memory in use. ENERGY: 3234400 4027.3393 20315.1123 14479.1457 272.5192 -203507.3130 3024.1392 0.0000 0.0000 52131.1503 -109257.9070 299.5984 -161389.0573 -108901.6626 299.4173 293.8779 325.7237 761859.5789 15.1226 15.0619 PRESSURE: 3234600 -65.5182 155.058 -166.193 155.058 -307.4 61.3653 -166.194 61.3652 -324.442 GPRESSURE: 3234600 -90.0703 88.2743 -158.285 180.899 -223.316 122.221 -157.119 -81.4912 -308.01 PRESSAVG: 3234600 -27.7237 -33.9408 18.414 -33.9407 57.0681 23.314 18.4139 23.3139 6.45198 GPRESSAVG: 3234600 -27.4965 -33.7048 17.4932 -37.2984 58.3912 22.2743 18.4378 21.5672 4.99805 TIMING: 3234600 CPU: 10216.1, 0.00316874/step Wall: 10216.1, 0.00316874/step, 1.55392 hours remaining, 236.589844 MB of memory in use. ENERGY: 3234600 3946.9531 20515.1727 14401.7346 233.9782 -202936.5151 2369.5591 0.0000 0.0000 52149.4771 -109319.6404 299.7038 -161469.1175 -108956.2745 299.2451 -232.4534 -207.1319 762617.9366 11.9321 11.9642 PRESSURE: 3234800 -129.357 -276.297 -124.039 -276.296 -274.891 -122.969 -124.039 -122.969 21.775 GPRESSURE: 3234800 -60.3953 -153.642 -105.95 -345.31 -292.143 -76.7873 -3.83153 -55.5783 40.625 PRESSAVG: 3234800 -7.99801 -38.5963 -25.197 -38.5963 -5.90686 7.59667 -25.1971 7.59665 -5.13284 GPRESSAVG: 3234800 -7.27878 -38.3211 -24.4521 -34.4588 -7.73999 5.34615 -24.4322 10.3726 -3.83435 TIMING: 3234800 CPU: 10216.7, 0.00315386/step Wall: 10216.7, 0.00315386/step, 1.54644 hours remaining, 236.589844 MB of memory in use. ENERGY: 3234800 3993.9762 20511.2743 14382.9215 241.8932 -202417.5010 2223.2337 0.0000 0.0000 51906.4010 -109157.8012 298.3068 -161064.2022 -108800.7193 298.8768 -127.4910 -103.9712 762518.4186 -6.3459 -6.2844 PRESSURE: 3235000 201.623 162.719 -92.5982 162.719 174.079 -152.651 -92.5981 -152.652 255.703 GPRESSURE: 3235000 269.291 147.614 -66.5008 174.568 167.613 -92.9556 -93.9317 -276.547 286.251 PRESSAVG: 3235000 -30.8462 -13.0067 42.0378 -13.0067 14.8036 24.6761 42.0378 24.6761 6.13913 GPRESSAVG: 3235000 -30.6051 -13.0336 42.1206 -14.4407 16.0928 27.8685 41.6707 23.9664 4.77231 TIMING: 3235000 CPU: 10217.4, 0.00316158/step Wall: 10217.4, 0.00316158/step, 1.55005 hours remaining, 236.589844 MB of memory in use. ENERGY: 3235000 4022.1631 20426.1910 14351.0490 232.4294 -203080.4112 2724.0320 0.0000 0.0000 51983.7885 -109340.7582 298.7515 -161324.5467 -108978.9902 298.9852 210.4682 241.0519 761897.5163 -3.3011 -3.2467 PRESSURE: 3235200 -130.48 -64.9932 29.3805 -64.9927 -150.401 -90.7127 29.3809 -90.7129 -211.446 GPRESSURE: 3235200 -70.1479 -55.2194 143.334 67.1124 -127.684 -101.628 -31.5889 22.9578 -212.629 PRESSAVG: 3235200 -2.73132 13.4595 -1.99942 13.4595 4.17608 7.28827 -1.9994 7.28829 1.99807 GPRESSAVG: 3235200 -2.6194 15.5312 -1.03609 11.6432 2.47609 6.53592 -3.6132 5.92788 2.89197 TIMING: 3235200 CPU: 10218, 0.0031684/step Wall: 10218, 0.0031684/step, 1.55322 hours remaining, 236.589844 MB of memory in use. ENERGY: 3235200 3923.0833 20531.1651 14511.1829 264.8626 -203282.0972 2804.1571 0.0000 0.0000 52176.5745 -109071.0716 299.8595 -161247.6461 -108714.9512 299.5200 -164.1091 -136.8204 761504.3926 1.1476 0.9162 PRESSURE: 3235400 33.2434 140.29 -122.268 140.29 27.4698 227.553 -122.268 227.553 60.2846 GPRESSURE: 3235400 102.645 161.234 -152.421 34.2239 9.01313 213.197 -69.6823 173.725 109.825 PRESSAVG: 3235400 27.5962 41.1527 3.95331 41.1527 -10.2607 39.4445 3.95325 39.4445 13.4564 GPRESSAVG: 3235400 26.285 39.9997 3.99568 42.9489 -9.46477 40.2087 3.5732 40.5498 13.3646 TIMING: 3235400 CPU: 10218.6, 0.00316578/step Wall: 10218.6, 0.00316578/step, 1.55176 hours remaining, 236.589844 MB of memory in use. ENERGY: 3235400 3951.4963 20497.3911 14429.5909 245.9158 -203065.6548 2717.9154 0.0000 0.0000 52120.1211 -109103.2243 299.5351 -161223.3454 -108731.5300 299.6292 40.3326 73.8275 761495.5516 10.2640 10.0616 PRESSURE: 3235600 -414.862 -46.1824 42.8672 -46.1822 -68.1453 98.6144 42.867 98.6149 -153.415 GPRESSURE: 3235600 -402.771 -88.1475 7.15825 84.6991 -16.4981 49.419 52.3819 -24.9155 -132.593 PRESSAVG: 3235600 39.077 -7.78512 3.77865 -7.78505 -45.7837 47.5322 3.7786 47.5322 -2.02037 GPRESSAVG: 3235600 39.9757 -8.37083 2.36723 -6.52853 -46.595 45.4073 5.33356 48.5154 -2.18521 TIMING: 3235600 CPU: 10219.3, 0.00318231/step Wall: 10219.3, 0.00318231/step, 1.55969 hours remaining, 236.589844 MB of memory in use. ENERGY: 3235600 4079.0209 20496.6743 14459.3971 242.7784 -203086.5068 2664.6018 0.0000 0.0000 52177.8914 -108966.1430 299.8671 -161144.0344 -108602.3615 299.5715 -212.1407 -183.9540 762333.3954 -2.9090 -2.9348 PRESSURE: 3235800 127.627 148.472 46.5026 148.472 173.629 169.957 46.503 169.958 169.151 GPRESSURE: 3235800 185.955 95.2034 -12.6909 179.414 193.21 162.154 5.37889 123.819 170.529 PRESSAVG: 3235800 32.2165 -40.3641 61.9175 -40.3641 -33.5584 10.8657 61.9175 10.8658 16.6907 GPRESSAVG: 3235800 30.5692 -40.0786 61.92 -42.8262 -32.3099 12.0554 62.0903 8.51659 16.8955 TIMING: 3235800 CPU: 10219.9, 0.00315824/step Wall: 10219.9, 0.00315824/step, 1.54771 hours remaining, 236.589844 MB of memory in use. ENERGY: 3235800 4018.4650 20563.9066 14418.8184 246.1055 -203406.1173 2857.4472 0.0000 0.0000 52271.6768 -109029.6979 300.4060 -161301.3747 -108659.2482 300.2765 156.8021 183.2318 762741.6894 5.1162 5.0516 PRESSURE: 3236000 98.1849 -102.62 -27.0265 -102.62 190.877 -45.5295 -27.0266 -45.5297 -109.285 GPRESSURE: 3236000 206.591 -5.27767 2.86646 -106.358 129.541 42.223 -9.5752 -105.091 -112.532 PRESSAVG: 3236000 -22.3611 -41.3615 8.50096 -41.3614 1.01123 39.355 8.50099 39.3551 -20.8872 GPRESSAVG: 3236000 -21.9047 -41.9991 10.6167 -40.5131 1.6783 38.6628 5.90606 41.8719 -21.5721 TIMING: 3236000 CPU: 10220.5, 0.00314761/step Wall: 10220.5, 0.00314761/step, 1.54233 hours remaining, 236.589844 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: 3236000 3997.4172 20478.8913 14423.1321 262.2109 -203122.3907 2690.2806 0.0000 0.0000 52281.6447 -108988.8138 300.4633 -161270.4586 -108631.5710 300.2059 59.9255 74.5331 763172.3889 -14.0790 -13.9328 PRESSURE: 3236200 244.715 -64.0044 -83.9993 -64.0047 8.93645 136.195 -83.9986 136.195 -81.8594 GPRESSURE: 3236200 183.185 -149.156 -64.2121 16.844 60.9708 136.561 -27.3184 101.906 8.85701 PRESSAVG: 3236200 -32.5349 -49.3445 2.43093 -49.3445 9.07173 37.2579 2.43088 37.2578 -6.13492 GPRESSAVG: 3236200 -31.9484 -49.8948 -0.142391 -48.0657 8.36783 38.6051 5.55284 35.2486 -6.049 TIMING: 3236200 CPU: 10221.2, 0.00316092/step Wall: 10221.2, 0.00316092/step, 1.54867 hours remaining, 236.589844 MB of memory in use. ENERGY: 3236200 3951.2263 20485.5334 14404.9344 241.7600 -203458.1265 2942.8577 0.0000 0.0000 52299.3602 -109132.4545 300.5651 -161431.8147 -108767.2188 299.8836 57.2639 84.3377 764270.0120 -9.8660 -9.8765 LDB: ============= START OF LOAD BALANCING ============== 10233.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10233.7 LDB: =============== DONE WITH MIGRATION ================ 10233.7 LDB: ============= START OF LOAD BALANCING ============== 10234 LDB: Largest compute 7030 load 0.033659 is 17.2% of average load 0.195633 LDB: Average compute 0.004397 is 2.2% of average load 0.195633 LDB: TIME 10234 LOAD: AVG 0.195633 MAX 0.214995 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.938 MB LDB: TIME 10234 LOAD: AVG 0.195633 MAX 0.214995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.07 MB LDB: TIME 10234 LOAD: AVG 0.195633 MAX 0.214995 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.07 MB LDB: ============== END OF LOAD BALANCING =============== 10234 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10234 PRESSURE: 3236400 20.5477 143.961 -114.55 143.96 85.3543 -169.845 -114.551 -169.845 79.7479 GPRESSURE: 3236400 15.5725 107.552 -81.9266 56.4551 135.989 -187.524 -184.886 4.99975 113.026 PRESSAVG: 3236400 31.7354 -10.3107 -1.14915 -10.3107 8.4885 18.9539 -1.14921 18.954 -9.67472 GPRESSAVG: 3236400 31.7705 -10.7635 -1.25334 -12.2071 7.47498 18.6025 -1.44066 21.4222 -8.66235 TIMING: 3236400 CPU: 10221.8, 0.00324072/step Wall: 10221.8, 0.00324072/step, 1.58759 hours remaining, 235.179688 MB of memory in use. ENERGY: 3236400 4029.3035 20496.8024 14464.9696 242.3403 -203505.0812 3085.2259 0.0000 0.0000 52009.3675 -109177.0721 298.8985 -161186.4395 -108823.4680 299.6029 61.8833 88.1958 763275.1988 10.1831 10.1944 PRESSURE: 3236600 58.8258 45.5066 96.946 45.5065 -263.837 181.598 96.9462 181.597 39.0955 GPRESSURE: 3236600 54.8925 0.0183358 57.609 69.8774 -279.776 162.284 20.5021 218.876 131.567 PRESSAVG: 3236600 9.88801 -18.5521 6.09311 -18.5521 -18.0589 40.8562 6.09314 40.8562 -3.85055 GPRESSAVG: 3236600 10.7975 -18.6922 7.49024 -18.7358 -17.9981 39.6434 2.84185 40.3907 -4.88838 TIMING: 3236600 CPU: 10222.4, 0.00315547/step Wall: 10222.4, 0.00315547/step, 1.54565 hours remaining, 235.640625 MB of memory in use. ENERGY: 3236600 4037.9387 20481.5382 14426.9111 262.8931 -203162.2220 2828.9722 0.0000 0.0000 52284.4176 -108839.5510 300.4793 -161123.9686 -108482.8271 299.2983 -55.3054 -31.1055 764513.3254 -4.0071 -4.0297 PRESSURE: 3236800 -170.603 -201.681 111.33 -201.68 -150.166 114.796 111.33 114.797 511.543 GPRESSURE: 3236800 -200.034 -217.722 120.65 -167.551 -67.1528 112.262 181.463 132.07 553.614 PRESSAVG: 3236800 14.4002 -35.6805 55.5186 -35.6804 -56.2119 -28.7581 55.5186 -28.7581 -4.06296 GPRESSAVG: 3236800 13.4094 -36.4155 56.0644 -34.8683 -55.8602 -28.7959 57.4263 -29.5948 -4.21066 TIMING: 3236800 CPU: 10223.1, 0.00321502/step Wall: 10223.1, 0.00321502/step, 1.57465 hours remaining, 235.945312 MB of memory in use. ENERGY: 3236800 4040.5502 20660.2337 14423.6690 250.8409 -203319.2651 2878.9299 0.0000 0.0000 52160.8896 -108904.1517 299.7693 -161065.0413 -108543.7417 300.1928 63.5915 95.4756 764988.9552 -15.2916 -15.5538 PRESSURE: 3237000 -119.135 -14.1981 108.96 -14.1976 -225.164 -118.709 108.96 -118.707 -168.174 GPRESSURE: 3237000 -150.996 -61.402 79.2732 -1.30831 -155.371 -143.123 75.3808 0.240297 -144.678 PRESSAVG: 3237000 -30.13 10.8598 66.6938 10.8598 15.5214 -15.0318 66.6939 -15.0318 -17.047 GPRESSAVG: 3237000 -30.1826 14.6953 65.6751 10.6461 14.9969 -13.3417 66.8906 -16.3474 -16.5227 TIMING: 3237000 CPU: 10223.7, 0.00317545/step Wall: 10223.7, 0.00317545/step, 1.55509 hours remaining, 235.945312 MB of memory in use. ENERGY: 3237000 3973.4920 20545.4863 14410.7278 247.7584 -202646.7292 2550.4511 0.0000 0.0000 51910.8290 -109007.9846 298.3322 -160918.8136 -108651.2648 299.8284 -170.8245 -150.3486 765988.5060 -10.5519 -10.5694 PRESSURE: 3237200 -345.719 161.891 138.582 161.891 -71.827 174.637 138.581 174.636 95.9846 GPRESSURE: 3237200 -249.976 43.2994 160.712 125.83 -120.424 302.589 83.1515 117.601 117.797 PRESSAVG: 3237200 -4.00485 36.1526 -12.7793 36.1526 -0.845828 -39.0815 -12.7794 -39.0815 -1.13251 GPRESSAVG: 3237200 -3.65419 35.8726 -14.3793 36.4114 -1.96137 -39.3841 -11.2986 -39.349 -0.748941 TIMING: 3237200 CPU: 10224.4, 0.00314355/step Wall: 10224.4, 0.00314355/step, 1.53929 hours remaining, 235.945312 MB of memory in use. ENERGY: 3237200 4070.3228 20528.8843 14370.5755 250.7795 -203098.8488 2682.8006 0.0000 0.0000 52221.4675 -108974.0186 300.1175 -161195.4861 -108616.0519 299.8473 -107.1873 -84.2010 763820.4625 -1.9944 -2.1215 PRESSURE: 3237400 150.665 -123.272 287.905 -123.272 48.3408 -336.34 287.905 -336.34 285.95 GPRESSURE: 3237400 191.095 -77.4342 297.71 -205.522 166.158 -317.623 130.181 -426.216 232.747 PRESSAVG: 3237400 -20.7125 20.8307 20.4851 20.8306 43.3187 -7.16643 20.4852 -7.16635 21.5939 GPRESSAVG: 3237400 -20.1827 19.7086 20.5415 20.9752 44.5382 -7.86228 19.3664 -5.1179 20.0116 TIMING: 3237400 CPU: 10225, 0.00317308/step Wall: 10225, 0.00317308/step, 1.55358 hours remaining, 235.945312 MB of memory in use. ENERGY: 3237400 4032.0457 20402.9559 14423.9698 230.7319 -203360.0294 2948.1670 0.0000 0.0000 52388.9041 -108933.2551 301.0798 -161322.1592 -108578.9076 299.9481 161.6519 196.6667 763820.7570 14.7333 14.7890 PRESSURE: 3237600 -19.1128 5.48646 44.8277 5.48695 72.6719 -172.785 44.8276 -172.785 21.2147 GPRESSURE: 3237600 4.4347 -13.0011 15.3981 -25.1189 103.773 -149.822 38.827 -125.721 71.746 PRESSAVG: 3237600 -27.4584 -1.89105 -7.35641 -1.89106 51.71 30.8258 -7.35638 30.8258 -0.920724 GPRESSAVG: 3237600 -28.7585 -1.96716 -4.83225 -1.2589 51.5469 30.6384 -10.7712 28.9714 0.145381 TIMING: 3237600 CPU: 10225.6, 0.00316893/step Wall: 10225.6, 0.00316893/step, 1.55137 hours remaining, 235.945312 MB of memory in use. ENERGY: 3237600 4003.2087 20507.8994 14466.0654 249.0378 -203315.2862 2883.0998 0.0000 0.0000 51978.4506 -109227.5246 298.7209 -161205.9752 -108872.4564 300.2147 24.9246 59.9846 763634.5977 7.7770 7.6446 PRESSURE: 3237800 -153.984 -162.76 73.5357 -162.76 74.4133 116.348 73.5352 116.346 -41.5839 GPRESSURE: 3237800 -171.294 -78.3049 57.1638 -73.8341 130.186 183.067 115.525 92.3174 18.3638 PRESSAVG: 3237800 -40.2446 -4.86794 -6.4257 -4.86794 42.4756 26.696 -6.42571 26.696 -5.66806 GPRESSAVG: 3237800 -39.7478 -4.6175 -7.42214 -4.28853 42.3854 27.28 -2.03569 29.342 -5.30514 TIMING: 3237800 CPU: 10226.3, 0.00315546/step Wall: 10226.3, 0.00315546/step, 1.5446 hours remaining, 235.945312 MB of memory in use. ENERGY: 3237800 3897.2719 20476.2452 14390.0772 227.0599 -203093.0075 2928.5142 0.0000 0.0000 51830.2099 -109343.6293 297.8689 -161173.8392 -108988.0971 299.2444 -40.3850 -7.5814 765884.6719 -1.1457 -0.8892 PRESSURE: 3238000 -126.418 -190.879 -233.369 -190.879 109.047 -107.63 -233.37 -107.629 127.106 GPRESSURE: 3238000 -145.286 -212.76 -308.285 -142.553 225.28 -39.0129 -124.284 -75.0921 119.86 PRESSAVG: 3238000 -69.8672 -28.3664 45.0647 -28.3664 92.701 15.3607 45.0648 15.3607 11.4519 GPRESSAVG: 3238000 -69.1671 -29.7792 45.3502 -30.0718 91.7519 15.883 45.0861 13.4151 11.566 TIMING: 3238000 CPU: 10226.9, 0.00319928/step Wall: 10226.9, 0.00319928/step, 1.56587 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: 3238000 3933.8328 20543.9143 14435.3970 261.0239 -203330.4824 2897.2213 0.0000 0.0000 51819.7077 -109439.3853 297.8086 -161259.0930 -109077.4776 298.8778 36.5782 66.6181 765009.6850 11.4286 11.3836 PRESSURE: 3238200 134.998 19.79 17.2123 19.7903 -351.609 -148.754 17.212 -148.754 324.254 GPRESSURE: 3238200 155.86 -46.2072 -42.4338 -13.9447 -217.821 -162.798 47.1848 -56.1361 251.99 PRESSAVG: 3238200 -15.4513 -28.5867 6.94825 -28.5868 36.0292 -8.69157 6.94826 -8.69159 9.30132 GPRESSAVG: 3238200 -16.7227 -27.3465 7.78304 -29.7073 38.8539 -10.2898 5.60824 -8.01314 7.63418 TIMING: 3238200 CPU: 10227.5, 0.00318827/step Wall: 10227.5, 0.00318827/step, 1.56031 hours remaining, 235.945312 MB of memory in use. ENERGY: 3238200 3886.0166 20461.5257 14368.0228 216.7262 -203406.8757 2735.6906 0.0000 0.0000 52183.8956 -109554.9984 299.9016 -161738.8940 -109187.6539 298.6608 35.8809 63.3430 763995.3694 9.9597 9.9218 PRESSURE: 3238400 197.171 131.414 115.982 131.414 71.8898 -175.759 115.981 -175.758 69.5028 GPRESSURE: 3238400 258.145 173.065 85.1942 134.416 183.443 -185.009 126.456 -8.34296 -11.3221 PRESSAVG: 3238400 -79.1669 29.3007 29.2901 29.3007 78.7724 -32.7885 29.29 -32.7884 -0.205861 GPRESSAVG: 3238400 -79.296 28.4133 28.883 31.3056 77.3858 -30.8598 29.7418 -33.1691 1.71502 TIMING: 3238400 CPU: 10228.2, 0.00316131/step Wall: 10228.2, 0.00316131/step, 1.54693 hours remaining, 235.945312 MB of memory in use. ENERGY: 3238400 3900.9607 20518.7010 14398.5580 232.7756 -203327.2169 2768.4275 0.0000 0.0000 51851.4597 -109656.3345 297.9911 -161507.7942 -109304.2107 298.3457 112.8546 143.4222 764375.6646 -0.2001 -0.0650 PRESSURE: 3238600 145.175 -137.736 -88.5488 -137.735 -292.077 -22.0831 -88.5488 -22.0826 -139.961 GPRESSURE: 3238600 97.9329 -175.547 -141.266 -181.884 -172.272 -66.5455 -134.82 -37.2586 -132.844 PRESSAVG: 3238600 -32.754 17.8144 -7.22433 17.8145 31.6801 -13.7302 -7.22437 -13.7302 -1.07135 GPRESSAVG: 3238600 -32.9699 17.4035 -7.53378 17.5174 33.3732 -16.0929 -6.82785 -12.7808 -1.90352 TIMING: 3238600 CPU: 10228.8, 0.00316126/step Wall: 10228.8, 0.00316126/step, 1.54673 hours remaining, 235.945312 MB of memory in use. ENERGY: 3238600 3956.6321 20548.7959 14464.5015 238.7027 -203192.1234 2716.6503 0.0000 0.0000 51822.2827 -109444.5581 297.8234 -161266.8408 -109086.6662 298.4839 -95.6210 -69.0609 765026.3493 -0.7151 -0.5001 PRESSURE: 3238800 -35.7847 99.3761 -5.0787 99.3749 97.2836 78.9483 -5.07848 78.9478 -175.188 GPRESSURE: 3238800 51.7321 126.601 31.962 133.043 143.59 213.778 -162.103 -39.0278 -219.973 PRESSAVG: 3238800 0.645519 27.516 43.102 27.516 30.566 -11.0732 43.102 -11.0732 22.575 GPRESSAVG: 3238800 2.84694 27.4237 43.4037 26.6977 27.8375 -8.89075 42.0596 -12.7637 22.9332 TIMING: 3238800 CPU: 10229.4, 0.00320056/step Wall: 10229.4, 0.00320056/step, 1.56579 hours remaining, 235.945312 MB of memory in use. ENERGY: 3238800 4155.0090 20482.7397 14362.1272 245.7796 -203120.9330 2631.9923 0.0000 0.0000 52060.1714 -109183.1138 299.1905 -161243.2852 -108828.1242 298.9686 -37.8963 -8.2171 764904.5317 17.9288 17.8725 PRESSURE: 3239000 -162.409 -257.28 10.0042 -257.28 -170.567 71.4998 10.0052 71.4993 84.3613 GPRESSURE: 3239000 -104.283 -175.469 67.6824 -225.446 -83.6446 -13.0004 110.997 150.19 25.2731 PRESSAVG: 3239000 8.2124 43.4426 22.7537 43.4425 -50.8907 3.50151 22.7538 3.50147 4.68016 GPRESSAVG: 3239000 9.08795 41.562 23.8384 45.2304 -50.3412 3.29037 24.8093 3.05013 3.63498 TIMING: 3239000 CPU: 10230.1, 0.00316823/step Wall: 10230.1, 0.00316823/step, 1.54979 hours remaining, 235.945312 MB of memory in use. ENERGY: 3239000 3960.2879 20449.7116 14455.6931 210.4416 -202907.6786 2569.0400 0.0000 0.0000 52086.0963 -109176.4080 299.3395 -161262.5044 -108814.0673 299.1946 -82.8715 -54.2182 765203.3662 -12.6661 -12.5394 PRESSURE: 3239200 -244.884 -11.3571 -186.167 -11.3568 -250.158 99.6291 -186.166 99.6292 -258.102 GPRESSURE: 3239200 -168.642 -57.7245 -126.138 29.6691 -180.492 69.823 -193.347 154.479 -322.132 PRESSAVG: 3239200 -14.6844 61.7398 5.717 61.7399 -31.8979 35.2646 5.71694 35.2646 4.50988 GPRESSAVG: 3239200 -15.7073 64.2672 2.7202 61.3556 -31.2402 35.3028 7.47126 35.594 5.40415 TIMING: 3239200 CPU: 10230.7, 0.00317159/step Wall: 10230.7, 0.00317159/step, 1.55126 hours remaining, 235.945312 MB of memory in use. ENERGY: 3239200 3980.1017 20539.0654 14388.9648 247.2847 -202773.9098 2460.9723 0.0000 0.0000 52130.7272 -109026.7938 299.5960 -161157.5209 -108670.9552 299.8521 -251.0481 -223.7552 764407.3607 -14.0242 -13.8478 PRESSURE: 3239400 31.7265 98.9129 203.186 98.9122 -40.3959 -34.094 203.186 -34.0937 221.06 GPRESSURE: 3239400 -20.6407 60.6765 139.656 160.442 13.273 25.0676 109.668 -76.079 299.84 PRESSAVG: 3239400 -42.2685 12.0916 21.2772 12.0916 21.132 58.3331 21.2772 58.3332 11.1357 GPRESSAVG: 3239400 -43.3507 11.1334 24.1121 11.7805 21.7946 59.6975 18.7836 57.8769 11.7013 TIMING: 3239400 CPU: 10231.3, 0.00315707/step Wall: 10231.3, 0.00315707/step, 1.54398 hours remaining, 235.945312 MB of memory in use. ENERGY: 3239400 3985.1749 20645.7887 14465.7213 269.2024 -202932.7382 2556.5476 0.0000 0.0000 52148.0536 -108862.2498 299.6956 -161010.3034 -108511.4153 300.4304 70.7969 97.4908 764282.8851 -3.3336 -3.2849 PRESSURE: 3239600 -16.5221 -85.5566 -94.3467 -85.5561 207.151 -80.4819 -94.3465 -80.482 71.6688 GPRESSURE: 3239600 26.0114 8.48558 -30.1384 -141.306 230.413 -154.822 -63.1883 -117.999 61.6907 PRESSAVG: 3239600 13.3115 3.43221 57.57 3.43221 -21.9599 0.975006 57.57 0.975024 2.56075 GPRESSAVG: 3239600 14.085 5.2277 57.6362 3.05789 -23.651 -1.20061 56.4335 3.62716 2.57036 TIMING: 3239600 CPU: 10232, 0.00320036/step Wall: 10232, 0.00320036/step, 1.56498 hours remaining, 236.011719 MB of memory in use. ENERGY: 3239600 3989.2622 20718.6451 14422.0401 255.7310 -202993.0443 2603.1622 0.0000 0.0000 51983.6762 -109020.5276 298.7509 -161004.2038 -108659.3878 300.2976 87.4324 106.0385 763643.2705 -2.0292 -2.3319 PRESSURE: 3239800 58.8195 6.89414 -226.185 6.8938 -534.238 -38.9743 -226.184 -38.9739 -290.759 GPRESSURE: 3239800 73.7996 -3.89788 -232.493 102.216 -425.901 82.2237 -56.2813 -75.5543 -348.114 PRESSAVG: 3239800 31.7499 -17.0109 56.9316 -17.011 -50.0001 -19.4673 56.9317 -19.4673 -5.07734 GPRESSAVG: 3239800 32.9827 -20.0185 56.6533 -14.6133 -50.0258 -18.6251 58.8269 -21.1359 -5.753 TIMING: 3239800 CPU: 10232.6, 0.00320604/step Wall: 10232.6, 0.00320604/step, 1.56758 hours remaining, 236.011719 MB of memory in use. ENERGY: 3239800 3964.0470 20781.2869 14499.5232 219.2972 -203217.7405 2577.7908 0.0000 0.0000 51997.8118 -109177.9837 298.8321 -161175.7954 -108825.6869 299.6685 -255.3923 -233.4050 763708.8946 -7.7759 -7.5987 PRESSURE: 3240000 -60.0384 34.8627 22.6866 34.8631 250.352 -28.7021 22.6856 -28.7027 -124.317 GPRESSURE: 3240000 -11.7243 16.4621 17.8452 45.5658 317.414 24.4086 -92.2144 -4.68123 -158.983 PRESSAVG: 3240000 -38.6366 31.9947 28.0839 31.9947 2.186 1.91345 28.0839 1.91348 -3.34879 GPRESSAVG: 3240000 -39.3392 34.4746 28.8315 29.3584 2.98925 1.46245 27.8015 1.78882 -3.67554 TIMING: 3240000 CPU: 10233.3, 0.00320929/step Wall: 10233.3, 0.00320929/step, 1.56899 hours remaining, 236.011719 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: 3240000 3926.3831 20572.8972 14408.9883 228.5698 -203458.7105 2883.0260 0.0000 0.0000 52271.0654 -109167.7806 300.4025 -161438.8460 -108797.6941 299.3835 21.9990 48.9021 764307.3871 -13.2665 -13.3418 PRESSURE: 3240200 105.67 140.11 -157.394 140.109 576.856 90.1784 -157.394 90.1785 384.896 GPRESSURE: 3240200 123.23 55.6623 -168.107 94.5795 578.986 45.8178 -203.31 86.5602 459.704 PRESSAVG: 3240200 10.3111 13.2724 39.1479 13.2724 11.8457 20.9192 39.148 20.9193 -3.64622 GPRESSAVG: 3240200 9.51998 13.7376 40.2707 13.0594 11.5113 20.632 38.8354 20.7705 -1.9566 TIMING: 3240200 CPU: 10233.9, 0.00318504/step Wall: 10233.9, 0.00318504/step, 1.55695 hours remaining, 236.011719 MB of memory in use. ENERGY: 3240200 3905.2541 20677.7931 14366.3400 245.7417 -203810.3101 3340.1472 0.0000 0.0000 52232.7369 -109042.2972 300.1823 -161275.0341 -108684.9058 300.1896 355.8074 387.3068 762652.4136 6.1702 6.3582 LDB: ============= START OF LOAD BALANCING ============== 10246.4 LDB: ============== END OF LOAD BALANCING =============== 10246.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10246.4 LDB: ============= START OF LOAD BALANCING ============== 10246.7 LDB: Largest compute 7061 load 0.031888 is 16.3% of average load 0.195711 LDB: Average compute 0.004358 is 2.2% of average load 0.195711 LDB: TIME 10246.8 LOAD: AVG 0.195711 MAX 0.216072 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.312 MB LDB: TIME 10246.8 LOAD: AVG 0.195711 MAX 0.216072 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.516 MB LDB: TIME 10246.8 LOAD: AVG 0.195711 MAX 0.216072 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.516 MB LDB: ============== END OF LOAD BALANCING =============== 10246.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10246.8 PRESSURE: 3240400 195.825 62.2916 -134.019 62.2913 118.382 -78.9267 -134.02 -78.9257 10.3573 GPRESSURE: 3240400 117.244 127.917 -149.071 33.29 211.99 -147.916 -95.5848 -0.670918 61.9535 PRESSAVG: 3240400 -20.6485 15.1306 28.0755 15.1306 -42.6013 -24.1258 28.0754 -24.1258 -5.79537 GPRESSAVG: 3240400 -20.2957 13.8257 28.4535 15.4434 -42.5004 -24.9784 27.9482 -24.0729 -5.9495 TIMING: 3240400 CPU: 10234.5, 0.00323964/step Wall: 10234.5, 0.00323964/step, 1.58346 hours remaining, 237.628906 MB of memory in use. ENERGY: 3240400 3957.1244 20490.8147 14464.6317 255.8201 -203360.8706 2809.6595 0.0000 0.0000 52310.1399 -109072.6804 300.6271 -161382.8202 -108699.3961 299.9832 108.1882 130.3959 763707.7245 -23.0151 -22.9152 PRESSURE: 3240600 -138.157 297.325 133.526 297.325 -142.604 -117.6 133.526 -117.599 -341.281 GPRESSURE: 3240600 -35.376 177.948 87.5403 226.197 -153.363 -148.91 180.657 -12.9394 -381.478 PRESSAVG: 3240600 -0.614045 30.1594 -26.564 30.1594 8.6232 -8.07991 -26.564 -8.07993 -4.52248 GPRESSAVG: 3240600 -0.745287 30.0589 -28.8877 29.1844 8.38861 -8.99184 -25.7618 -5.73135 -4.64401 TIMING: 3240600 CPU: 10235.2, 0.00319087/step Wall: 10235.2, 0.00319087/step, 1.55945 hours remaining, 237.832031 MB of memory in use. ENERGY: 3240600 3978.4455 20793.0601 14411.4112 251.8630 -203201.0527 2388.6442 0.0000 0.0000 51988.9231 -109388.7056 298.7811 -161377.6286 -109026.9150 299.5958 -207.3476 -190.0722 762214.0180 1.1622 0.9998 PRESSURE: 3240800 -33.5869 -59.0947 -73.6257 -59.0951 225.313 -47.7943 -73.6256 -47.7937 -27.5578 GPRESSURE: 3240800 31.7953 -7.66768 -56.5575 -37.9427 244.198 -31.6031 -74.5039 -217.566 -32.9464 PRESSAVG: 3240800 -9.94684 18.1846 18.8216 18.1845 -10.081 -6.72864 18.8216 -6.72859 4.8727 GPRESSAVG: 3240800 -9.2204 18.9462 20.6024 19.5942 -9.83664 -4.67815 17.1982 -8.0696 4.37409 TIMING: 3240800 CPU: 10235.8, 0.00320491/step Wall: 10235.8, 0.00320491/step, 1.56613 hours remaining, 238.238281 MB of memory in use. ENERGY: 3240800 4039.2153 20473.9208 14371.9210 243.4751 -203248.1206 2942.0468 0.0000 0.0000 51857.8346 -109319.7070 298.0277 -161177.5415 -108954.8826 299.3000 54.7226 81.0156 763247.9084 -5.0517 -4.8943 PRESSURE: 3241000 77.0633 -11.5654 64.669 -11.5654 -50.2576 80.309 64.6687 80.3081 232.142 GPRESSURE: 3241000 122.577 66.2888 158.642 -57.7561 23.935 155.739 69.0175 22.0624 201.552 PRESSAVG: 3241000 47.4266 -7.29081 31.2347 -7.29082 -57.0727 -38.1066 31.2348 -38.1067 -3.30435 GPRESSAVG: 3241000 46.5583 -5.89481 31.3641 -8.05857 -57.2847 -36.6415 31.9579 -39.7809 -2.36976 TIMING: 3241000 CPU: 10236.5, 0.00322702/step Wall: 10236.5, 0.00322702/step, 1.57676 hours remaining, 238.238281 MB of memory in use. ENERGY: 3241000 3991.3637 20425.4878 14375.4600 240.6068 -203668.5826 3041.3389 0.0000 0.0000 52162.6982 -109431.6271 299.7797 -161594.3254 -109069.9694 299.1787 86.3159 116.0214 763814.7973 -4.3168 -4.3654 PRESSURE: 3241200 -32.3481 -122.274 -4.26954 -122.275 -0.835784 58.8123 -4.26861 58.8136 -251.386 GPRESSURE: 3241200 -24.9109 -274.667 13.2389 -83.2564 19.886 84.0038 -0.328724 132.813 -209.265 PRESSAVG: 3241200 7.2305 -38.1547 35.6274 -38.1547 -32.3947 3.13746 35.6274 3.13754 7.96636 GPRESSAVG: 3241200 7.62507 -37.8181 34.836 -39.2666 -31.6451 3.29165 34.9504 3.72852 6.82644 TIMING: 3241200 CPU: 10237.1, 0.00318311/step Wall: 10237.1, 0.00318311/step, 1.55513 hours remaining, 238.238281 MB of memory in use. ENERGY: 3241200 3981.4967 20599.3981 14307.4128 249.2426 -203414.9028 2919.6483 0.0000 0.0000 51824.7581 -109532.9461 297.8376 -161357.7042 -109168.7024 299.2084 -94.8566 -71.4300 763498.0036 -5.7326 -5.7312 PRESSURE: 3241400 -95.3606 137.932 -276.615 137.932 -3.72322 365.98 -276.615 365.98 75.8868 GPRESSURE: 3241400 -136.538 50.518 -242.332 23.4579 47.0172 531.627 -207.266 229.244 152.227 PRESSAVG: 3241400 47.161 -27.1585 8.56148 -27.1586 -43.9029 -26.5102 8.56145 -26.5101 19.5566 GPRESSAVG: 3241400 46.5969 -27.1758 8.82525 -26.2776 -43.865 -28.4648 8.86632 -25.8454 19.5995 TIMING: 3241400 CPU: 10237.7, 0.00316525/step Wall: 10237.7, 0.00316525/step, 1.54622 hours remaining, 238.238281 MB of memory in use. ENERGY: 3241400 3909.6309 20534.3257 14489.3060 251.2988 -203541.5024 2892.2405 0.0000 0.0000 52054.6678 -109410.0327 299.1589 -161464.7005 -109054.8232 298.9163 -7.7323 20.9021 761931.6709 7.6049 7.4438 PRESSURE: 3241600 -126.539 -139.747 -198.05 -139.746 106.696 -48.0448 -198.05 -48.0454 -102.134 GPRESSURE: 3241600 -86.0737 -81.2638 -110.691 17.3878 59.833 -79.7621 -241.495 -15.3504 13.9026 PRESSAVG: 3241600 9.04597 -1.76065 -63.531 -1.76061 -12.0175 -28.1887 -63.531 -28.1888 6.71336 GPRESSAVG: 3241600 10.2937 -1.03482 -63.4342 -2.20328 -12.5469 -28.2331 -62.1239 -29.2757 5.82484 TIMING: 3241600 CPU: 10238.4, 0.00319119/step Wall: 10238.4, 0.00319119/step, 1.55872 hours remaining, 238.238281 MB of memory in use. ENERGY: 3241600 3961.1763 20510.0914 14421.7363 237.1759 -203452.9624 2812.0252 0.0000 0.0000 52001.7579 -109508.9993 298.8548 -161510.7572 -109143.8685 298.8999 -40.6589 -4.1127 761559.9095 1.2473 1.1906 PRESSURE: 3241800 315.775 -37.3674 226.662 -37.3675 -41.7442 126.239 226.663 126.238 105.796 GPRESSURE: 3241800 346.673 -117.333 287.071 -76.9606 -15.2227 141.613 209.22 67.7177 111.042 PRESSAVG: 3241800 17.3406 -20.1398 1.42409 -20.1398 -15.9675 1.60589 1.42411 1.60596 15.388 GPRESSAVG: 3241800 16.0571 -20.1928 1.58208 -20.6791 -15.3899 0.396183 -1.21827 3.53541 15.8078 TIMING: 3241800 CPU: 10239, 0.00317286/step Wall: 10239, 0.00317286/step, 1.54959 hours remaining, 238.304688 MB of memory in use. ENERGY: 3241800 3986.5787 20384.3755 14547.1169 245.6532 -203410.9030 2921.1009 0.0000 0.0000 51895.7218 -109430.3561 298.2454 -161326.0778 -109058.4210 298.9057 126.6089 147.4974 763000.8858 5.5871 5.4916 PRESSURE: 3242000 33.5921 -10.1427 218.857 -10.1427 394.403 97.2755 218.858 97.2754 -72.8725 GPRESSURE: 3242000 113.845 5.21237 269.228 -42.1789 338.014 40.0817 227.185 29.0154 -12.9669 PRESSAVG: 3242000 25.6798 -7.08876 7.61903 -7.08871 -1.0243 -8.5305 7.61904 -8.53047 -22.8403 GPRESSAVG: 3242000 26.2208 -9.35757 7.92132 -6.01799 -1.56228 -8.92627 9.69402 -9.69405 -22.489 TIMING: 3242000 CPU: 10239.6, 0.00319029/step Wall: 10239.6, 0.00319029/step, 1.55793 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: 3242000 3982.9006 20599.4062 14422.9732 248.7539 -203729.3899 3009.4711 0.0000 0.0000 52007.6437 -109458.2411 298.8886 -161465.8848 -109104.9437 298.7878 118.3742 146.2975 762795.4718 0.6050 0.7232 PRESSURE: 3242200 288.199 -15.7879 164.85 -15.7878 -251.666 77.504 164.85 77.5038 149.852 GPRESSURE: 3242200 292.556 -60.6127 172.013 -50.1256 -149.826 140.435 183.17 59.2973 134.256 PRESSAVG: 3242200 -2.20947 -18.1774 7.11145 -18.1774 14.5445 -45.4349 7.11149 -45.4349 -2.22849 GPRESSAVG: 3242200 -3.57927 -17.9181 5.82943 -19.4052 15.5204 -44.3945 6.51213 -45.9723 -1.43375 TIMING: 3242200 CPU: 10240.3, 0.00316405/step Wall: 10240.3, 0.00316405/step, 1.54493 hours remaining, 238.292969 MB of memory in use. ENERGY: 3242200 4050.6055 20598.2011 14352.8214 236.9830 -204172.8332 3297.6658 0.0000 0.0000 52160.3767 -109476.1797 299.7664 -161636.5564 -109115.7603 299.2076 62.1284 92.3286 762545.9894 3.3688 3.5025 PRESSURE: 3242400 -75.2036 -63.1955 -43.1436 -63.1961 37.0871 167.662 -43.1439 167.661 -255.494 GPRESSURE: 3242400 -12.5456 -70.6355 -34.004 -150.28 -29.2773 225.097 68.9443 211.281 -173.708 PRESSAVG: 3242400 11.8405 -38.8314 -2.22735 -38.8313 -13.5656 28.5686 -2.22731 28.5687 1.06095 GPRESSAVG: 3242400 13.1646 -38.8195 -2.62154 -36.6648 -14.3043 29.2047 -1.95442 29.1738 0.271947 TIMING: 3242400 CPU: 10240.9, 0.00316638/step Wall: 10240.9, 0.00316638/step, 1.5459 hours remaining, 238.292969 MB of memory in use. ENERGY: 3242400 4038.6652 20588.0642 14441.1783 258.7269 -203472.1319 2583.0311 0.0000 0.0000 51978.2300 -109584.2363 298.7196 -161562.4662 -109219.5956 299.6387 -97.8702 -71.8436 760371.8743 -0.2214 -0.2893 PRESSURE: 3242600 440.844 252.42 223.215 252.42 -143.856 137.7 223.215 137.701 21.8908 GPRESSURE: 3242600 375.398 198.21 237.7 147.029 -28.9062 83.2522 56.1043 140.053 46.781 PRESSAVG: 3242600 5.59104 -44.921 -0.844149 -44.9209 -17.573 35.8216 -0.84423 35.8216 -4.96457 GPRESSAVG: 3242600 4.71993 -44.9059 -1.85475 -48.2006 -16.8691 35.0495 1.03387 37.7359 -4.81106 TIMING: 3242600 CPU: 10241.5, 0.00315081/step Wall: 10241.5, 0.00315081/step, 1.53812 hours remaining, 238.304688 MB of memory in use. ENERGY: 3242600 4052.2208 20459.8796 14428.1337 235.8250 -203636.0378 2771.9170 0.0000 0.0000 51991.7212 -109696.3404 298.7971 -161688.0617 -109335.1015 299.0708 106.2931 131.0908 761819.6931 -5.6488 -5.6534 PRESSURE: 3242800 -246.962 -9.97087 -117.036 -9.97166 -251.816 -146.713 -117.036 -146.713 200.262 GPRESSURE: 3242800 -217.771 24.5123 -67.3556 -54.1704 -137.738 -139.966 -45.9285 -110.8 136.085 PRESSAVG: 3242800 -15.4654 -26.7337 40.3034 -26.7337 8.5419 54.7773 40.3034 54.7772 4.63373 GPRESSAVG: 3242800 -14.9199 -26.2156 43.0908 -24.6855 8.93628 55.6127 39.0529 54.5159 2.83698 TIMING: 3242800 CPU: 10242.2, 0.00316173/step Wall: 10242.2, 0.00316173/step, 1.54327 hours remaining, 238.304688 MB of memory in use. ENERGY: 3242800 3993.5881 20453.4332 14492.1468 256.1493 -203608.5178 2678.8787 0.0000 0.0000 51975.8810 -109758.4408 298.7061 -161734.3218 -109387.7075 298.7722 -99.5054 -73.1414 761109.7791 -0.7633 -1.0489 PRESSURE: 3243000 313.431 -14.8124 272.222 -14.8112 330.657 -42.8626 272.223 -42.8625 -102.387 GPRESSURE: 3243000 328.311 107.918 151.165 132.415 331.163 3.33291 255.893 -114.049 -38.6021 PRESSAVG: 3243000 -4.70771 -22.6338 -7.54467 -22.6338 5.62993 14.8751 -7.54466 14.8751 26.6157 GPRESSAVG: 3243000 -3.44168 -23.284 -8.59339 -22.5542 4.34942 15.3252 -8.53629 14.4672 26.9588 TIMING: 3243000 CPU: 10242.8, 0.00316231/step Wall: 10242.8, 0.00316231/step, 1.54338 hours remaining, 238.304688 MB of memory in use. ENERGY: 3243000 4080.1239 20443.6652 14392.4102 243.8662 -203847.5256 3172.8111 0.0000 0.0000 51891.1950 -109623.4540 298.2194 -161514.6490 -109273.8914 298.5927 180.5672 206.9573 760266.0019 9.1793 9.2888 PRESSURE: 3243200 -128.15 -94.9577 -177.933 -94.9577 320.702 57.0166 -177.933 57.0164 32.7288 GPRESSURE: 3243200 -12.5468 -71.1236 -156.027 -13.9146 319.971 34.5933 -333.768 19.0474 -8.66198 PRESSAVG: 3243200 70.9203 -15.0114 -10.3127 -15.0113 0.36124 17.4624 -10.3127 17.4624 -7.96088 GPRESSAVG: 3243200 70.5864 -12.9548 -9.55578 -15.9191 0.438247 17.5222 -11.9934 15.8979 -8.67481 TIMING: 3243200 CPU: 10243.4, 0.00316156/step Wall: 10243.4, 0.00316156/step, 1.54284 hours remaining, 238.304688 MB of memory in use. ENERGY: 3243200 4057.7810 20532.1874 14418.0385 243.7904 -203429.7475 2824.9859 0.0000 0.0000 51747.7930 -109605.1713 297.3953 -161352.9643 -109248.0457 298.7207 75.0937 99.5873 762330.3133 21.1069 20.7833 PRESSURE: 3243400 -134.419 101.202 -4.94645 101.202 97.7898 172.514 -4.94621 172.514 386.327 GPRESSURE: 3243400 -96.2173 -17.4381 94.815 103.011 131.745 152.305 -18.0163 120.133 382.853 PRESSAVG: 3243400 45.4574 -19.7139 -27.2665 -19.7139 -64.6892 41.7855 -27.2665 41.7854 -13.1371 GPRESSAVG: 3243400 44.549 -20.6896 -26.8415 -17.9094 -64.5855 41.824 -25.1641 41.5797 -12.4752 TIMING: 3243400 CPU: 10244.1, 0.00318105/step Wall: 10244.1, 0.00318105/step, 1.55217 hours remaining, 238.304688 MB of memory in use. ENERGY: 3243400 3982.0042 20495.7174 14452.6328 243.1642 -203449.0849 2662.9849 0.0000 0.0000 52006.4735 -109606.1079 298.8819 -161612.5815 -109267.5187 298.2624 116.5659 139.4602 761632.0260 -10.7896 -10.8373 PRESSURE: 3243600 -445.469 11.0331 -194.206 11.0323 142.143 97.7436 -194.206 97.7448 -408.095 GPRESSURE: 3243600 -384.259 30.5532 -244.527 -76.6595 127.003 59.9506 4.59622 -54.1769 -376.538 PRESSAVG: 3243600 -23.2907 -32.036 -24.554 -32.0361 11.4161 15.3325 -24.5541 15.3326 17.2233 GPRESSAVG: 3243600 -23.6554 -31.7289 -25.9205 -35.1634 11.2556 14.7527 -23.4257 16.5162 18.0687 TIMING: 3243600 CPU: 10244.7, 0.00314815/step Wall: 10244.7, 0.00314815/step, 1.53595 hours remaining, 238.304688 MB of memory in use. ENERGY: 3243600 4004.9270 20525.6838 14482.1043 243.8047 -203164.8998 2525.1557 0.0000 0.0000 51734.3454 -109648.8789 297.3180 -161383.2243 -109284.1802 297.9089 -237.1404 -211.2650 762074.0663 1.7829 1.8896 PRESSURE: 3243800 248.983 31.18 -67.4203 31.1788 -204.851 -177.172 -67.4196 -177.173 630.903 GPRESSURE: 3243800 219.365 -130.261 -57.6761 62.5254 -20.9822 -236.382 -62.827 -56.412 582.278 PRESSAVG: 3243800 -54.0624 0.925095 -26.8097 0.925044 24.0169 -64.2327 -26.8097 -64.2327 9.30326 GPRESSAVG: 3243800 -54.2906 0.743788 -26.977 1.13267 24.3778 -64.4226 -28.5138 -64.6087 9.80389 TIMING: 3243800 CPU: 10245.3, 0.00313397/step Wall: 10245.3, 0.00313397/step, 1.52885 hours remaining, 238.304688 MB of memory in use. ENERGY: 3243800 4090.1269 20445.6766 14408.0607 260.8237 -203345.8034 2766.3482 0.0000 0.0000 51581.7879 -109792.9795 296.4412 -161374.7674 -109430.8948 297.7192 225.0116 260.2204 761729.9117 -6.9141 -6.7030 PRESSURE: 3244000 -106.099 -183.82 210.716 -183.82 -52.6535 -86.5002 210.716 -86.4998 107.551 GPRESSURE: 3244000 -76.9175 -62.8605 228.666 -210.728 -29.4003 -101.525 182.09 -92.7823 146.668 PRESSAVG: 3244000 6.39649 -7.87458 4.50393 -7.87458 6.76555 21.8385 4.50392 21.8384 7.09178 GPRESSAVG: 3244000 8.30035 -7.54346 4.78125 -6.79291 5.78108 21.6317 4.82541 22.1828 6.1609 TIMING: 3244000 CPU: 10246, 0.00315129/step Wall: 10246, 0.00315129/step, 1.53713 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: 3244000 3993.2051 20389.6343 14474.7820 244.2727 -203479.2725 2758.7235 0.0000 0.0000 51961.7725 -109656.8823 298.6250 -161618.6549 -109293.2288 298.0070 -17.0671 13.4502 762835.2768 6.7513 6.7474 PRESSURE: 3244200 -91.4989 200.155 -234.82 200.155 317.507 -190.343 -234.82 -190.342 -7.36069 GPRESSURE: 3244200 -35.9085 245.468 -107.012 155.995 330.8 -259.866 -216.48 -207.371 8.99373 PRESSAVG: 3244200 -30.1462 -22.7163 -20.9023 -22.7163 -28.0049 37.6678 -20.9023 37.6678 -17.6323 GPRESSAVG: 3244200 -30.6738 -24.4172 -20.1799 -21.4647 -27.5085 36.8199 -21.1512 38.9933 -17.7307 TIMING: 3244200 CPU: 10246.6, 0.00317862/step Wall: 10246.6, 0.00317862/step, 1.55028 hours remaining, 238.304688 MB of memory in use. ENERGY: 3244200 3948.8502 20519.4630 14409.1941 234.8817 -203574.5610 2918.3337 0.0000 0.0000 51808.2120 -109735.6263 297.7425 -161543.8384 -109385.3530 298.2070 72.8826 101.2952 762233.5551 -25.2611 -25.3044 LDB: ============= START OF LOAD BALANCING ============== 10259.1 LDB: ============== END OF LOAD BALANCING =============== 10259.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10259.1 LDB: ============= START OF LOAD BALANCING ============== 10259.5 LDB: Largest compute 7078 load 0.032511 is 16.6% of average load 0.195558 LDB: Average compute 0.004363 is 2.2% of average load 0.195558 LDB: TIME 10259.5 LOAD: AVG 0.195558 MAX 0.218375 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.758 MB LDB: TIME 10259.5 LOAD: AVG 0.195558 MAX 0.218375 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: TIME 10259.5 LOAD: AVG 0.195558 MAX 0.217004 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.758 MB LDB: ============== END OF LOAD BALANCING =============== 10259.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10259.5 PRESSURE: 3244400 3.0808 -17.6755 -45.2717 -17.6761 124.267 45.1556 -45.2713 45.1554 -157.712 GPRESSURE: 3244400 -4.84389 -72.0203 -148.606 10.3218 218.625 20.172 14.1698 150.54 -165.577 PRESSAVG: 3244400 14.4028 -2.80483 53.966 -2.80487 -28.7163 48.0055 53.966 48.0056 8.62552 GPRESSAVG: 3244400 14.0126 -4.99083 52.336 -3.12187 -28.3453 49.0456 53.763 46.8257 9.22391 TIMING: 3244400 CPU: 10247.2, 0.00323862/step Wall: 10247.2, 0.00323862/step, 1.57937 hours remaining, 234.890625 MB of memory in use. ENERGY: 3244400 3975.8129 20388.1865 14428.4780 244.4541 -203772.1538 2979.2980 0.0000 0.0000 51786.8738 -109969.0505 297.6199 -161755.9243 -109613.1017 297.7974 -10.1214 16.0678 761559.1679 -1.8960 -1.7029 PRESSURE: 3244600 257.166 -84.5351 108.952 -84.534 -450.072 98.4131 108.952 98.4121 160.176 GPRESSURE: 3244600 125.651 -42.8221 160.776 -142.232 -289.501 128.642 141.553 90.8619 205.357 PRESSAVG: 3244600 85.578 -66.1876 65.188 -66.1876 -49.0149 -23.9386 65.188 -23.9386 9.66149 GPRESSAVG: 3244600 85.4 -62.84 67.6413 -69.3445 -48.9177 -24.2489 63.6701 -25.2765 10.1119 TIMING: 3244600 CPU: 10247.9, 0.00317529/step Wall: 10247.9, 0.00317529/step, 1.54831 hours remaining, 235.109375 MB of memory in use. ENERGY: 3244600 3952.6694 20432.2848 14420.4154 251.4742 -203488.1722 2550.5860 0.0000 0.0000 52151.0753 -109729.6671 299.7129 -161880.7424 -109362.5550 298.1268 -10.9101 13.8358 761824.4944 15.4082 15.5314 PRESSURE: 3244800 -178.226 -157.704 -187.92 -157.704 74.6088 163.566 -187.919 163.565 28.0026 GPRESSURE: 3244800 -114.788 -137.212 -99.2748 -161.648 53.1807 199.361 -187.528 162.875 54.2651 PRESSAVG: 3244800 62.2039 -21.4421 9.3087 -21.4421 -43.2117 -7.78311 9.30866 -7.78318 -18.6351 GPRESSAVG: 3244800 62.182 -21.6939 8.58607 -20.4698 -42.6115 -7.59955 10.5983 -7.3398 -19.1233 TIMING: 3244800 CPU: 10248.5, 0.00319144/step Wall: 10248.5, 0.00319144/step, 1.55601 hours remaining, 235.109375 MB of memory in use. ENERGY: 3244800 4020.6934 20435.9671 14468.9107 232.1249 -203236.3195 2619.5971 0.0000 0.0000 52020.7933 -109438.2330 298.9642 -161459.0263 -109071.6492 298.7710 -25.2050 -2.4475 760621.1784 0.1190 0.1491 PRESSURE: 3245000 -226.859 4.97116 136.279 4.96968 -62.8273 -104.43 136.28 -104.43 -195.057 GPRESSURE: 3245000 -134.857 60.1642 49.4145 24.6094 -47.9469 13.6895 180.037 -131.935 -202.512 PRESSAVG: 3245000 -15.8233 -89.6635 -16.3345 -89.6634 6.21383 -17.61 -16.3346 -17.6101 24.2835 GPRESSAVG: 3245000 -13.9857 -90.4291 -17.1559 -87.7357 5.14959 -18.0087 -14.9849 -16.5831 23.6948 TIMING: 3245000 CPU: 10249.2, 0.00315936/step Wall: 10249.2, 0.00315936/step, 1.54019 hours remaining, 235.109375 MB of memory in use. ENERGY: 3245000 3942.5310 20539.0963 14462.9535 233.9155 -203029.8415 2274.8116 0.0000 0.0000 52238.0376 -109338.4959 300.2127 -161576.5336 -108966.5743 299.1227 -161.5810 -128.4384 761132.0740 4.8913 4.9529 PRESSURE: 3245200 116.911 -86.9745 -77.6251 -86.9749 326.708 61.3837 -77.6258 61.3848 -122 GPRESSURE: 3245200 132.654 -49.1599 -125.92 10.7211 374.757 -13.6589 -150.719 29.9933 -96.1747 PRESSAVG: 3245200 5.05992 -29.5928 -6.67812 -29.5928 61.206 28.8151 -6.67805 28.8152 -2.97233 GPRESSAVG: 3245200 4.59863 -30.322 -7.27892 -29.2577 60.9888 29.6428 -8.91218 27.8529 -2.52609 TIMING: 3245200 CPU: 10249.8, 0.00316994/step Wall: 10249.8, 0.00316994/step, 1.54517 hours remaining, 235.109375 MB of memory in use. ENERGY: 3245200 3944.2375 20442.8974 14501.1738 253.9831 -203857.9661 3012.9989 0.0000 0.0000 52300.6689 -109402.0066 300.5727 -161702.6754 -109038.1769 299.4629 107.2063 137.0788 759313.2059 21.0979 21.0204 PRESSURE: 3245400 -179.018 184.254 -392.819 184.255 -37.0415 -2.7032 -392.82 -2.70356 -315.506 GPRESSURE: 3245400 -158.966 143.029 -335.189 249.445 -37.304 18.4125 -309.366 8.388 -242.832 PRESSAVG: 3245400 44.1784 -53.5791 -13.3318 -53.5791 28.0431 23.9455 -13.3318 23.9456 13.8026 GPRESSAVG: 3245400 42.9109 -53.0799 -13.933 -54.7761 29.3518 24.0991 -10.618 23.4632 13.7024 TIMING: 3245400 CPU: 10250.4, 0.00317432/step Wall: 10250.4, 0.00317432/step, 1.54713 hours remaining, 235.109375 MB of memory in use. ENERGY: 3245400 4036.4054 20433.1985 14463.3368 242.5015 -203337.2121 2498.2108 0.0000 0.0000 52070.3101 -109593.2490 299.2488 -161663.5592 -109229.7409 299.2582 -177.1886 -146.3674 760906.4158 28.6747 28.6550 PRESSURE: 3245600 -66.8019 -11.8816 -58.0722 -11.8812 76.982 90.407 -58.0725 90.4058 185.347 GPRESSURE: 3245600 -18.8538 -39.5815 -141.954 -64.2062 191.343 -18.3781 13.2696 171.154 120.209 PRESSAVG: 3245600 -36.3495 -45.945 -23.0861 -45.9449 -5.01284 28.0004 -23.0862 28.0004 -7.60583 GPRESSAVG: 3245600 -36.1791 -45.2338 -20.9839 -46.1967 -4.64773 27.4115 -25.9189 29.0034 -8.12879 TIMING: 3245600 CPU: 10251.1, 0.00314614/step Wall: 10251.1, 0.00314614/step, 1.53322 hours remaining, 235.109375 MB of memory in use. ENERGY: 3245600 3919.2491 20365.0437 14435.8461 239.6678 -203152.1715 2367.1457 0.0000 0.0000 52068.5598 -109756.6594 299.2387 -161825.2191 -109398.0715 298.2378 65.1757 97.5660 761311.7473 -16.3227 -16.3185 PRESSURE: 3245800 -122.772 -53.7922 -58.5299 -53.7926 230.908 176.774 -58.5297 176.773 198.153 GPRESSURE: 3245800 -120.577 -47.2498 -146.891 46.743 200.87 102.058 64.2848 124.195 316.58 PRESSAVG: 3245800 -5.44737 32.3634 -14.055 32.3634 -19.1704 9.76071 -14.055 9.76068 -11.9186 GPRESSAVG: 3245800 -5.05772 30.9791 -13.3505 31.891 -20.3599 10.2569 -14.8091 10.2045 -10.4665 TIMING: 3245800 CPU: 10251.7, 0.0031801/step Wall: 10251.7, 0.0031801/step, 1.54959 hours remaining, 235.109375 MB of memory in use. ENERGY: 3245800 3919.0625 20496.3181 14372.0349 261.6737 -203731.1313 2919.7306 0.0000 0.0000 51855.9638 -109906.3478 298.0169 -161762.3116 -109543.8227 298.2215 102.0966 132.2911 760165.9883 -12.1788 -11.9614 PRESSURE: 3246000 -260.528 -165.083 -123.396 -165.083 129.444 -5.1776 -123.396 -5.17732 -354.605 GPRESSURE: 3246000 -181.022 -210.105 -98.9783 -22.5737 127.092 -111.136 -91.4817 -4.27924 -340.842 PRESSAVG: 3246000 -21.6551 -43.2462 -52.5838 -43.2462 49.0922 19.3128 -52.5838 19.3127 -9.08399 GPRESSAVG: 3246000 -21.7081 -41.5666 -54.7615 -42.4589 49.9913 17.9637 -48.8851 20.811 -9.68938 TIMING: 3246000 CPU: 10252.3, 0.0031695/step Wall: 10252.3, 0.0031695/step, 1.54425 hours remaining, 235.109375 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: 3246000 3994.2948 20378.0428 14368.8107 226.8472 -203400.8161 2636.5184 0.0000 0.0000 52128.3040 -109667.9982 299.5821 -161796.3022 -109300.9474 298.1884 -161.8963 -131.5906 762960.6619 6.1177 6.1980 PRESSURE: 3246200 288.812 121.01 35.7714 121.011 106.559 -123.01 35.7718 -123.012 101.248 GPRESSURE: 3246200 284.382 171.927 2.39064 30.7387 192.343 -52.4567 14.179 -81.7433 63.2775 PRESSAVG: 3246200 59.3927 -88.5977 3.23155 -88.5976 -60.7515 -2.09604 3.23162 -2.09605 -2.48608 GPRESSAVG: 3246200 59.0351 -90.1999 4.39944 -88.9049 -61.0889 -0.754908 0.660971 -6.34328 -1.62117 TIMING: 3246200 CPU: 10253, 0.00315116/step Wall: 10253, 0.00315116/step, 1.53514 hours remaining, 235.109375 MB of memory in use. ENERGY: 3246200 3939.1286 20578.9298 14354.0895 226.2813 -203397.0879 2709.3624 0.0000 0.0000 52060.3712 -109528.9251 299.1917 -161589.2963 -109170.7362 298.0753 165.5396 180.0006 760777.8559 -1.2816 -1.2250 PRESSURE: 3246400 405.059 -9.7536 33.7241 -9.75344 199.245 4.61588 33.7239 4.61577 412.346 GPRESSURE: 3246400 537.24 56.2202 -31.6466 117.125 142.874 -26.5565 2.9218 92.9769 421.364 PRESSAVG: 3246400 43.4405 -40.3368 -17.1747 -40.3367 -13.3025 -37.7844 -17.1747 -37.7844 7.68585 GPRESSAVG: 3246400 42.6491 -39.7991 -16.5369 -39.6417 -12.7402 -37.3644 -16.6268 -35.1058 7.73994 TIMING: 3246400 CPU: 10253.6, 0.00315798/step Wall: 10253.6, 0.00315798/step, 1.53829 hours remaining, 235.109375 MB of memory in use. ENERGY: 3246400 3966.0669 20530.6918 14449.3369 231.8073 -203650.8026 3012.0273 0.0000 0.0000 51596.6340 -109864.2384 296.5266 -161460.8724 -109514.6408 298.1752 338.8836 367.1594 759780.4521 12.6080 12.5496 PRESSURE: 3246600 -451.423 27.8041 -35.8601 27.8032 -125.108 191.675 -35.86 191.675 -70.0636 GPRESSURE: 3246600 -373.975 91.7306 -73.0352 -20.6215 -106.83 106.413 -51.7629 335.125 -86.2632 PRESSAVG: 3246600 56.1384 -55.2507 -2.55387 -55.2508 -7.0342 -19.176 -2.55386 -19.176 -8.54349 GPRESSAVG: 3246600 57.3474 -54.0164 -3.47785 -56.69 -7.76491 -20.8152 -4.47513 -20.1524 -9.08156 TIMING: 3246600 CPU: 10254.2, 0.00315931/step Wall: 10254.2, 0.00315931/step, 1.53876 hours remaining, 235.109375 MB of memory in use. ENERGY: 3246600 4024.0730 20417.9092 14402.8341 248.6923 -203021.0011 2442.6429 0.0000 0.0000 52005.6105 -109479.2390 298.8770 -161484.8495 -109114.6206 298.4710 -215.5314 -189.0228 762424.5057 13.5202 13.5003 PRESSURE: 3246800 51.8429 -241.885 -138.027 -241.884 90.0666 32.3869 -138.027 32.387 -374.077 GPRESSURE: 3246800 100.135 -244.518 -56.7731 -106.173 66.154 123.25 -134.783 -97.3529 -311.119 PRESSAVG: 3246800 -3.941 -12.9643 32.2628 -12.9643 44.4593 -25.984 32.2628 -25.984 -3.95524 GPRESSAVG: 3246800 -4.90275 -15.501 31.6512 -11.8605 44.465 -26.1587 34.1727 -25.9234 -3.02494 TIMING: 3246800 CPU: 10254.8, 0.00316721/step Wall: 10254.8, 0.00316721/step, 1.54243 hours remaining, 235.109375 MB of memory in use. ENERGY: 3246800 3959.7187 20507.9041 14432.0879 242.8282 -203133.8039 2647.7775 0.0000 0.0000 51836.0818 -109507.4058 297.9027 -161343.4876 -109154.5696 298.9463 -77.3890 -48.2769 761610.0808 12.1877 12.1791 PRESSURE: 3247000 139.18 -121.856 15.4432 -121.856 -19.4153 132.091 15.4431 132.09 118.296 GPRESSURE: 3247000 226.475 -110.57 -9.63842 -165.935 -2.47299 98.6667 40.4667 106.099 106.905 PRESSAVG: 3247000 -22.1008 -69.562 0.27999 -69.5621 -27.8631 7.55414 0.280033 7.55417 -13.5714 GPRESSAVG: 3247000 -21.524 -68.842 1.35883 -72.2051 -27.3391 8.45916 -0.650802 7.93086 -14.6953 TIMING: 3247000 CPU: 10255.5, 0.00315887/step Wall: 10255.5, 0.00315887/step, 1.53819 hours remaining, 235.109375 MB of memory in use. ENERGY: 3247000 3999.0284 20464.4841 14398.3596 263.1985 -203174.1624 2491.3762 0.0000 0.0000 51976.4959 -109581.2196 298.7096 -161557.7155 -109221.7952 298.3830 79.3534 110.3022 762975.6114 -21.1784 -21.1861 PRESSURE: 3247200 6.66732 85.672 -78.9763 85.6722 16.6399 -2.71513 -78.9771 -2.71417 89.1234 GPRESSURE: 3247200 1.14732 136.83 -21.2857 64.2477 148.675 -54.6066 -82.6502 -123.279 48.5096 PRESSAVG: 3247200 15.4308 -43.4474 37.1884 -43.4474 11.388 -7.32792 37.1883 -7.32779 9.93707 GPRESSAVG: 3247200 16.1756 -41.7418 35.7616 -41.7003 11.5607 -8.2165 38.6139 -6.05154 8.9586 TIMING: 3247200 CPU: 10256.1, 0.00317319/step Wall: 10256.1, 0.00317319/step, 1.54499 hours remaining, 235.109375 MB of memory in use. ENERGY: 3247200 3959.6904 20428.5428 14477.3899 263.6489 -203604.5177 2869.9870 0.0000 0.0000 51967.7054 -109637.5533 298.6591 -161605.2587 -109274.6758 297.8581 37.4769 66.1108 762823.7451 12.2520 12.2317 PRESSURE: 3247400 232.385 -26.3638 -94.666 -26.3648 129.497 110.653 -94.6667 110.653 -293.929 GPRESSURE: 3247400 271.23 -68.4604 -71.4446 -52.2061 187.38 2.01044 -195.226 5.26188 -291.567 PRESSAVG: 3247400 -4.52678 -13.1048 24.4009 -13.1048 35.3176 -17.7981 24.401 -17.7981 -16.5121 GPRESSAVG: 3247400 -3.77162 -15.8389 26.0738 -10.6298 34.4942 -17.3557 23.128 -18.9735 -16.278 TIMING: 3247400 CPU: 10256.7, 0.00316324/step Wall: 10256.7, 0.00316324/step, 1.53997 hours remaining, 235.109375 MB of memory in use. ENERGY: 3247400 3970.0419 20318.8070 14441.7438 243.6347 -203665.1519 2925.4432 0.0000 0.0000 51849.1722 -109916.3092 297.9779 -161765.4814 -109543.6800 298.4869 22.6509 55.6813 762154.7241 4.7596 4.8149 PRESSURE: 3247600 202.573 -35.623 -172.278 -35.6231 299.472 -113.287 -172.278 -113.287 165.795 GPRESSURE: 3247600 236.2 -4.6237 -208.737 -63.7983 305.086 -230.77 -137.908 -103.65 232.356 PRESSAVG: 3247600 -7.0656 -23.0925 8.45567 -23.0926 16.9308 -19.8193 8.4557 -19.8193 -7.88419 GPRESSAVG: 3247600 -7.80963 -20.8999 8.55474 -25.7278 17.5462 -20.9808 7.70654 -17.6092 -7.31097 TIMING: 3247600 CPU: 10257.4, 0.00318238/step Wall: 10257.4, 0.00318238/step, 1.54911 hours remaining, 235.109375 MB of memory in use. ENERGY: 3247600 4005.4003 20568.1408 14450.3852 247.4841 -203498.7610 2638.4660 0.0000 0.0000 51869.2363 -109719.6483 298.0932 -161588.8846 -109360.1994 298.2280 222.6135 257.8810 761403.7290 0.6603 0.8085 PRESSURE: 3247800 -452.957 87.7784 191.436 87.7791 -146.205 23.7915 191.434 23.7916 -261.553 GPRESSURE: 3247800 -535.773 35.2284 171.382 48.8026 8.89124 119.72 137.147 51.9545 -250.199 PRESSAVG: 3247800 -31.672 12.509 -13.773 12.509 4.3518 -9.99641 -13.773 -9.99647 -6.93503 GPRESSAVG: 3247800 -31.9054 10.0931 -15.3095 13.4022 4.7661 -8.81269 -12.7361 -10.7745 -6.77768 TIMING: 3247800 CPU: 10258, 0.00317429/step Wall: 10258, 0.00317429/step, 1.545 hours remaining, 235.109375 MB of memory in use. ENERGY: 3247800 3904.9914 20621.2724 14424.8576 238.5156 -203526.1947 2552.9632 0.0000 0.0000 52055.9238 -109727.6708 299.1661 -161783.5946 -109363.7792 298.6418 -286.9048 -259.0270 762248.7652 -11.4184 -11.3057 PRESSURE: 3248000 30.7062 -196.11 -130.739 -196.109 114.059 69.4328 -130.739 69.4339 209.677 GPRESSURE: 3248000 52.0512 -296.908 -131.463 -161.399 145.289 40.3547 -14.8046 83.711 249.274 PRESSAVG: 3248000 11.4498 -23.8298 -7.79718 -23.8297 -35.0652 3.68193 -7.79718 3.68188 9.59154 GPRESSAVG: 3248000 11.1221 -23.1924 -6.83941 -25.2736 -34.7013 1.23557 -8.17562 4.10798 9.39466 TIMING: 3248000 CPU: 10258.7, 0.00318545/step Wall: 10258.7, 0.00318545/step, 1.55025 hours remaining, 235.109375 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: 3248000 3873.2139 20537.5312 14450.9229 243.6529 -203411.7917 2577.3059 0.0000 0.0000 52027.9580 -109701.2069 299.0054 -161729.1649 -109339.1158 298.6100 118.1476 148.8714 761005.9691 -4.6746 -4.7282 PRESSURE: 3248200 -216.567 46.5096 299.048 46.5102 -318.689 97.7606 299.048 97.7615 -117.451 GPRESSURE: 3248200 -247.665 61.7093 179.929 67.8722 -196.097 68.9602 312.759 81.4077 -130.205 PRESSAVG: 3248200 0.0242804 -29.814 24.3765 -29.8141 8.07175 -19.9415 24.3765 -19.9415 -36.5475 GPRESSAVG: 3248200 -0.168678 -26.9576 23.3113 -29.4743 7.85322 -16.8512 26.0547 -21.0753 -36.5591 TIMING: 3248200 CPU: 10259.3, 0.00316017/step Wall: 10259.3, 0.00316017/step, 1.53777 hours remaining, 235.109375 MB of memory in use. ENERGY: 3248200 3981.2561 20608.2936 14350.8992 260.8327 -203194.6973 2353.0567 0.0000 0.0000 52022.6035 -109617.7555 298.9746 -161640.3591 -109255.8237 298.8389 -217.5690 -191.3224 762466.7195 -9.4838 -9.6249 LDB: ============= START OF LOAD BALANCING ============== 10271.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10271.8 LDB: =============== DONE WITH MIGRATION ================ 10271.8 LDB: ============= START OF LOAD BALANCING ============== 10272.1 LDB: Largest compute 7030 load 0.035175 is 18.0% of average load 0.195661 LDB: Average compute 0.004360 is 2.2% of average load 0.195661 LDB: TIME 10272.1 LOAD: AVG 0.195661 MAX 0.216106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.477 MB LDB: TIME 10272.1 LOAD: AVG 0.195661 MAX 0.216106 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.477 MB LDB: TIME 10272.1 LOAD: AVG 0.195661 MAX 0.216106 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.477 MB LDB: ============== END OF LOAD BALANCING =============== 10272.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10272.1 PRESSURE: 3248400 -227.316 -154.089 118.538 -154.088 -223.902 130.117 118.538 130.118 -265.145 GPRESSURE: 3248400 -305.633 -17.6734 110.155 -220.807 -183.966 154.404 257.853 110.582 -160.404 PRESSAVG: 3248400 28.7432 -29.5885 10.2251 -29.5885 1.0774 -26.8713 10.225 -26.8713 -8.02092 GPRESSAVG: 3248400 28.5337 -29.8485 12.197 -31.719 0.113954 -27.6743 9.86013 -25.3206 -6.51484 TIMING: 3248400 CPU: 10259.9, 0.00322613/step Wall: 10259.9, 0.00322612/step, 1.56969 hours remaining, 235.531250 MB of memory in use. ENERGY: 3248400 4049.8744 20396.9343 14298.8742 242.4594 -203195.6727 2563.4379 0.0000 0.0000 52052.6561 -109591.4363 299.1473 -161644.0924 -109233.5183 298.2552 -238.7876 -216.6677 762578.3260 7.2666 7.3776 PRESSURE: 3248600 -52.5892 -57.7474 -25.6984 -57.7478 -38.8198 -326.455 -25.6978 -326.455 -322.572 GPRESSURE: 3248600 35.7046 -85.5004 59.5494 -23.4173 -50.8932 -335.179 2.38431 -223.713 -307.288 PRESSAVG: 3248600 17.8543 -49.5725 67.9069 -49.5725 -1.94063 -41.6643 67.9069 -41.6643 18.3549 GPRESSAVG: 3248600 19.5123 -52.6818 68.1683 -48.2075 -2.84293 -41.0779 67.9381 -42.6719 17.5139 TIMING: 3248600 CPU: 10260.6, 0.00313621/step Wall: 10260.6, 0.00313621/step, 1.52577 hours remaining, 235.531250 MB of memory in use. ENERGY: 3248600 3936.3182 20518.2346 14377.9724 251.8499 -203004.5629 2672.4781 0.0000 0.0000 51942.2259 -109305.4838 298.5127 -161247.7097 -108940.7037 298.8816 -137.9935 -107.4921 761687.0200 11.4229 11.3944 PRESSURE: 3248800 95.7733 17.0904 -44.593 17.0908 -196.521 -98.5032 -44.5933 -98.5031 132.293 GPRESSURE: 3248800 145.844 87.5997 -69.1183 51.1714 -99.0217 -136.934 36.565 -32.1018 83.8993 PRESSAVG: 3248800 36.1305 -53.7823 4.74653 -53.7822 -20.5363 -38.9432 4.74659 -38.9432 26.7351 GPRESSAVG: 3248800 35.9967 -52.3327 3.92427 -50.9549 -19.7402 -37.2434 4.44601 -40.4483 25.6773 TIMING: 3248800 CPU: 10261.2, 0.00314361/step Wall: 10261.2, 0.00314361/step, 1.52919 hours remaining, 235.531250 MB of memory in use. ENERGY: 3248800 4031.6068 20647.9311 14343.7288 241.6868 -203115.9608 2584.6483 0.0000 0.0000 52148.5609 -109117.7981 299.6985 -161266.3590 -108761.9169 299.5457 10.5151 43.5739 761164.8702 14.1098 13.9779 PRESSURE: 3249000 161.8 -168.948 163.059 -168.948 -14.5389 -113.435 163.058 -113.435 218.754 GPRESSURE: 3249000 73.2252 -110.016 88.5637 -59.3787 51.8966 -202.885 249.448 -208.646 327.267 PRESSAVG: 3249000 50.1544 -74.8667 -10.0377 -74.8668 -45.0125 -22.6882 -10.0377 -22.6882 -1.80083 GPRESSAVG: 3249000 49.2475 -73.3419 -11.3512 -77.7072 -45.1765 -25.1902 -10.1283 -20.2804 -1.20277 TIMING: 3249000 CPU: 10261.8, 0.00317222/step Wall: 10261.8, 0.00317222/step, 1.54293 hours remaining, 235.531250 MB of memory in use. ENERGY: 3249000 3958.6626 20585.5099 14342.2194 234.9772 -202918.6020 2533.5295 0.0000 0.0000 52291.3936 -108972.3098 300.5194 -161263.7035 -108605.0068 299.8898 122.0049 150.7962 762005.3085 1.1137 0.9561 PRESSURE: 3249200 213.762 -58.8916 -146.384 -58.8919 72.3006 -124.823 -146.383 -124.823 480.3 GPRESSURE: 3249200 291.999 -37.4554 -204.985 -13.1064 75.7236 -65.3855 -194.834 -201.711 486.596 PRESSAVG: 3249200 52.9624 -26.3101 -13.6135 -26.3101 -36.7095 -36.0985 -13.6135 -36.0985 21.0496 GPRESSAVG: 3249200 54.3201 -26.7699 -11.9129 -23.711 -38.4835 -36.0127 -14.0112 -36.7072 21.7183 TIMING: 3249200 CPU: 10262.5, 0.00318008/step Wall: 10262.5, 0.00318008/step, 1.54658 hours remaining, 235.531250 MB of memory in use. ENERGY: 3249200 3866.0429 20652.1725 14445.2836 236.4765 -203621.6177 3031.5016 0.0000 0.0000 52403.8953 -108986.2453 301.1659 -161390.1405 -108626.0248 300.3695 255.4543 284.7729 760234.6618 12.4342 12.5183 PRESSURE: 3249400 -25.4579 -105.981 115.995 -105.981 21.3357 60.441 115.995 60.4406 -248.186 GPRESSURE: 3249400 15.825 -37.9202 145.588 23.8916 53.7205 80.0147 77.488 104.297 -244.819 PRESSAVG: 3249400 41.8035 19.74 18.6357 19.7399 -68.2821 0.732494 18.6356 0.73238 -12.7137 GPRESSAVG: 3249400 42.5829 19.8277 16.9064 17.7938 -66.8398 1.93366 18.5955 1.20481 -14.237 TIMING: 3249400 CPU: 10263.1, 0.00317038/step Wall: 10263.1, 0.00317038/step, 1.54168 hours remaining, 235.531250 MB of memory in use. ENERGY: 3249400 3924.4873 20436.1433 14461.9792 256.5942 -203361.5039 2978.4081 0.0000 0.0000 52249.3523 -109054.5395 300.2777 -161303.8919 -108677.4021 300.4226 -84.1027 -58.4246 763705.1899 -13.0641 -12.8313 PRESSURE: 3249600 302.066 236.904 6.27119 236.903 -135.229 -221.983 6.27077 -221.983 42.2561 GPRESSURE: 3249600 246.243 252.053 64.4645 203.411 -101.113 -162.825 -1.05519 -205.504 158.795 PRESSAVG: 3249600 0.872295 -2.89976 5.49405 -2.89981 6.02901 -8.99776 5.49403 -8.99776 18.5555 GPRESSAVG: 3249600 -0.0556098 -5.31043 7.04903 -0.913528 6.0253 -8.92982 4.15283 -10.6309 19.9272 TIMING: 3249600 CPU: 10263.7, 0.00316943/step Wall: 10263.7, 0.00316943/step, 1.54105 hours remaining, 235.531250 MB of memory in use. ENERGY: 3249600 3943.6395 20545.1757 14435.6403 235.5543 -203143.7762 2675.6346 0.0000 0.0000 52228.9656 -109079.1661 300.1606 -161308.1316 -108714.8478 300.2177 69.6975 101.3084 763403.4501 8.4856 8.6323 PRESSURE: 3249800 -60.283 -48.1603 41.9458 -48.1597 -96.9095 162.831 41.9454 162.83 -41.2395 GPRESSURE: 3249800 -77.0254 -93.0001 21.0281 -79.789 -34.2477 151.918 -1.11699 140.163 1.63966 PRESSAVG: 3249800 -4.53574 -15.3515 17.2928 -15.3515 2.43662 -29.8143 17.2928 -29.8142 7.82214 GPRESSAVG: 3249800 -4.18112 -15.4521 16.695 -16.622 2.6613 -30.6849 20.1236 -30.5672 7.44955 TIMING: 3249800 CPU: 10264.4, 0.00317486/step Wall: 10264.4, 0.00317486/step, 1.54351 hours remaining, 235.531250 MB of memory in use. ENERGY: 3249800 3955.4229 20539.8587 14393.3380 241.8246 -203147.3337 2508.1680 0.0000 0.0000 52186.2866 -109322.4350 299.9153 -161508.7216 -108960.7384 299.8219 -66.1440 -36.5445 762405.7677 1.9077 1.9766 PRESSURE: 3250000 -71.7698 -155.094 208.853 -155.094 118.088 121.628 208.853 121.629 181.676 GPRESSURE: 3250000 76.1555 -147.604 254.399 -85.1077 64.0109 108.601 0.262564 195.63 186.559 PRESSAVG: 3250000 -2.46089 -22.4811 58.7304 -22.4812 26.0627 43.6028 58.7304 43.6029 -0.203064 GPRESSAVG: 3250000 -2.60391 -22.133 57.437 -20.7582 25.9961 44.5204 57.9519 45.1697 0.777906 TIMING: 3250000 CPU: 10265, 0.00315313/step Wall: 10265, 0.00315313/step, 1.53277 hours remaining, 235.531250 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: 3250000 4001.2830 20580.5305 14467.6293 251.2347 -203333.9856 2924.4506 0.0000 0.0000 51976.7414 -109132.1161 298.7110 -161108.8575 -108774.1894 299.4978 75.9981 108.9087 762986.2722 7.7996 8.0567 PRESSURE: 3250200 -66.91 3.66285 -209.203 3.66198 123.178 33.7471 -209.204 33.7465 15.799 GPRESSURE: 3250200 33.3616 7.72306 -193.26 -59.7143 46.87 -60.3814 -127.35 8.97163 73.1516 PRESSAVG: 3250200 16.3872 -17.6027 -2.85734 -17.6027 -2.30198 -6.86304 -2.85737 -6.86307 2.60129 GPRESSAVG: 3250200 16.9395 -15.98 -2.81721 -19.2056 -2.86068 -7.93934 -3.75175 -6.75395 2.69029 TIMING: 3250200 CPU: 10265.6, 0.00317141/step Wall: 10265.6, 0.00317141/step, 1.54148 hours remaining, 235.531250 MB of memory in use. ENERGY: 3250200 4003.0004 20343.6864 14423.9256 243.1208 -203587.8944 3007.0825 0.0000 0.0000 52313.2483 -109253.8303 300.6450 -161567.0786 -108894.3077 299.7593 24.0224 51.1277 762096.5045 5.5622 5.5897 PRESSURE: 3250400 25.9868 17.1208 26.5918 17.1217 113.265 104.45 26.592 104.451 171.976 GPRESSURE: 3250400 160.713 -44.2111 -86.3768 13.4658 37.594 54.922 -43.2561 34.9723 185.186 PRESSAVG: 3250400 -66.631 4.46099 21.7389 4.46095 64.7538 -20.6325 21.7388 -20.6325 -18.7735 GPRESSAVG: 3250400 -66.7794 6.5913 22.5 2.50374 65.1177 -20.6097 22.9189 -20.3229 -18.8684 TIMING: 3250400 CPU: 10266.3, 0.0031806/step Wall: 10266.3, 0.00318059/step, 1.54577 hours remaining, 235.531250 MB of memory in use. ENERGY: 3250400 3948.2396 20544.4251 14392.3769 239.0588 -203597.1492 2970.5669 0.0000 0.0000 51961.0425 -109541.4394 298.6208 -161502.4819 -109186.4618 298.9346 103.7427 127.8310 763111.7683 -6.8835 -6.8434 PRESSURE: 3250600 140.764 286.928 -85.927 286.927 -221.432 111.354 -85.9272 111.353 -212.176 GPRESSURE: 3250600 207.913 272.51 -82.6126 195.645 -187.815 211.185 -23.2314 -23.6165 -217.897 PRESSAVG: 3250600 20.8781 21.655 -17.5298 21.655 -11.5485 -15.3484 -17.5298 -15.3485 -3.92503 GPRESSAVG: 3250600 21.7415 16.5085 -17.2677 24.4997 -12.0227 -14.5614 -18.839 -15.9012 -4.43978 TIMING: 3250600 CPU: 10266.9, 0.00317222/step Wall: 10266.9, 0.00317222/step, 1.54152 hours remaining, 235.531250 MB of memory in use. ENERGY: 3250600 3956.0139 20357.0582 14424.5600 244.8296 -203248.7654 2592.3192 0.0000 0.0000 52044.8921 -109629.0925 299.1027 -161673.9846 -109261.8532 298.7967 -97.6148 -65.9330 763059.8291 1.8015 1.7597 PRESSURE: 3250800 -102.868 -117.189 -4.19079 -117.189 191.155 60.2425 -4.19068 60.2416 189.692 GPRESSURE: 3250800 -58.1251 -43.3671 21.8032 -126.359 237.569 72.0968 -118.261 -7.22833 197.091 PRESSAVG: 3250800 17.7662 -49.9528 20.3085 -49.9529 16.6155 -1.58182 20.3085 -1.58174 14.3232 GPRESSAVG: 3250800 16.8192 -48.6266 20.7061 -51.57 16.5327 -2.14086 21.8333 -2.37128 15.4462 TIMING: 3250800 CPU: 10267.5, 0.00319345/step Wall: 10267.5, 0.00319345/step, 1.55166 hours remaining, 235.531250 MB of memory in use. ENERGY: 3250800 4049.7353 20358.4974 14368.4394 243.9249 -203430.7209 2649.2048 0.0000 0.0000 52105.5333 -109655.3856 299.4512 -161760.9190 -109297.3294 298.4317 92.6597 125.5118 763292.7746 16.2350 16.2660 PRESSURE: 3251000 444.682 42.9486 67.1931 42.9484 -44.6031 -104.311 67.194 -104.312 -17.8357 GPRESSURE: 3251000 447.207 40.3208 30.5251 52.613 84.669 -152.222 116.806 -57.0359 -87.2573 PRESSAVG: 3251000 23.3675 0.352872 -35.3946 0.352819 -19.3235 -0.0165361 -35.3945 -0.0165109 -10.3977 GPRESSAVG: 3251000 22.8053 1.76611 -36.5812 0.923627 -20.0358 1.03427 -36.4998 -0.147355 -9.30306 TIMING: 3251000 CPU: 10268.2, 0.0031575/step Wall: 10268.2, 0.0031575/step, 1.53402 hours remaining, 235.531250 MB of memory in use. ENERGY: 3251000 4009.5680 20559.4178 14394.5642 243.0166 -203434.6926 2788.6934 0.0000 0.0000 51797.9409 -109641.4917 297.6835 -161439.4326 -109291.0953 298.7868 127.4144 148.2062 762181.5682 -2.1179 -2.1779 PRESSURE: 3251200 102.177 64.4724 -45.051 64.4721 173.62 -106.254 -45.0501 -106.254 95.093 GPRESSURE: 3251200 167.874 48.2407 -6.53502 172.845 164.388 -56.3822 -11.6486 -74.3807 126.371 PRESSAVG: 3251200 49.2243 5.09928 -26.9653 5.09925 -28.898 7.13734 -26.9653 7.13723 17.0287 GPRESSAVG: 3251200 48.5813 3.74252 -25.9576 5.28303 -26.5288 5.75088 -27.5428 7.90745 15.1565 TIMING: 3251200 CPU: 10268.8, 0.00313199/step Wall: 10268.8, 0.00313199/step, 1.52145 hours remaining, 235.531250 MB of memory in use. ENERGY: 3251200 3972.6783 20645.3728 14393.3053 237.2031 -203859.9157 2919.5908 0.0000 0.0000 52231.1716 -109460.5937 300.1733 -161691.7654 -109102.1059 298.6245 123.6299 152.8776 761555.2448 12.4517 12.4030 PRESSURE: 3251400 -67.4314 24.1826 -337.032 24.1827 -22.1917 75.8973 -337.032 75.8972 -95.6629 GPRESSURE: 3251400 -3.90805 -70.0998 -310.751 54.2661 23.1586 84.8719 -343.652 65.4257 -120.815 PRESSAVG: 3251400 46.2912 31.0615 -8.3086 31.0615 -11.5092 16.6398 -8.30858 16.6398 4.466 GPRESSAVG: 3251400 46.8186 29.0837 -8.81815 32.6668 -12.1405 16.9029 -4.86681 18.4271 4.22096 TIMING: 3251400 CPU: 10269.4, 0.00316918/step Wall: 10269.4, 0.00316918/step, 1.53934 hours remaining, 235.531250 MB of memory in use. ENERGY: 3251400 3985.6090 20388.0193 14357.1582 234.4315 -203330.6180 2766.5821 0.0000 0.0000 52111.2223 -109487.5955 299.4839 -161598.8179 -109121.3296 299.3013 -61.7620 -33.8550 761090.0602 13.0827 12.9664 PRESSURE: 3251600 7.81848 -15.7814 11.7712 -15.7813 -210.253 51.8804 11.7716 51.881 -288.321 GPRESSURE: 3251600 -118.334 -7.97304 4.65585 -10.9215 -57.7062 25.7604 106.18 -2.38802 -228.896 PRESSAVG: 3251600 -34.3791 5.9938 24.322 5.99383 30.8446 25.8571 24.3219 25.8571 -6.29785 GPRESSAVG: 3251600 -34.7323 7.85683 24.0961 3.5573 30.2219 25.2647 22.7421 25.3169 -5.26416 TIMING: 3251600 CPU: 10270.1, 0.00318163/step Wall: 10270.1, 0.00318163/step, 1.54521 hours remaining, 235.531250 MB of memory in use. ENERGY: 3251600 3971.3629 20545.6898 14418.6090 238.4736 -203253.6931 2597.6645 0.0000 0.0000 52114.9517 -109366.9415 299.5053 -161481.8933 -108996.3970 298.8683 -163.5852 -134.9786 762637.0987 -3.2774 -3.2582 PRESSURE: 3251800 205.984 -16.143 102.372 -16.1437 243.667 67.6376 102.372 67.6371 76.4074 GPRESSURE: 3251800 329.608 -44.2536 113.286 -87.5847 157.24 59.8903 -15.9766 64.3033 108.845 PRESSAVG: 3251800 2.5743 -23.6642 52.4063 -23.6642 41.4501 6.10638 52.4063 6.10648 10.1943 GPRESSAVG: 3251800 3.45262 -22.7743 53.1804 -24.1132 41.7734 5.71152 51.2999 5.27638 9.36294 TIMING: 3251800 CPU: 10270.7, 0.00319018/step Wall: 10270.7, 0.00319018/step, 1.54918 hours remaining, 235.531250 MB of memory in use. ENERGY: 3251800 3885.1470 20533.6672 14449.5577 238.6358 -203363.3220 2699.4151 0.0000 0.0000 52131.7193 -109425.1798 299.6017 -161556.8992 -109051.2978 299.2960 175.3525 198.5644 762496.6234 18.0729 18.1963 PRESSURE: 3252000 -58.2547 62.5826 80.1778 62.5824 49.7306 -86.9376 80.1776 -86.9366 323.792 GPRESSURE: 3252000 -31.1828 92.8341 190.52 97.9351 106.567 -168.885 -5.73677 -190.902 314.419 PRESSAVG: 3252000 -3.88334 2.05651 45.6552 2.05643 1.62402 -12.645 45.6553 -12.645 -4.5119 GPRESSAVG: 3252000 -4.46518 2.29402 47.5479 3.53944 2.94907 -13.398 44.8405 -11.7434 -5.38453 TIMING: 3252000 CPU: 10271.3, 0.00319236/step Wall: 10271.3, 0.00319236/step, 1.55007 hours remaining, 235.531250 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: 3252000 3945.9306 20530.2154 14342.9520 254.2406 -203123.1267 2664.6116 0.0000 0.0000 52006.4411 -109378.7353 298.8817 -161385.1765 -109020.5960 299.4978 105.0893 129.9346 763377.3193 -2.2571 -2.3002 PRESSURE: 3252200 -167.279 52.5095 84.4776 52.5093 -21.0559 226.462 84.4769 226.463 -277.702 GPRESSURE: 3252200 -78.1066 28.1459 118.791 -75.9888 22.7414 236.601 -14.677 162.358 -327.282 PRESSAVG: 3252200 32.6506 49.5604 9.54862 49.5603 -46.7988 -1.19778 9.5487 -1.19779 1.81482 GPRESSAVG: 3252200 32.1328 47.7606 8.35055 50.4065 -47.9466 0.203315 10.056 -0.147839 2.84706 TIMING: 3252200 CPU: 10272, 0.00317534/step Wall: 10272, 0.00317534/step, 1.54163 hours remaining, 235.531250 MB of memory in use. ENERGY: 3252200 3995.5385 20486.6568 14331.1423 261.3624 -202949.5207 2497.7436 0.0000 0.0000 51912.2139 -109464.8632 298.3402 -161377.0771 -109098.5410 299.0555 -155.3457 -127.5492 764523.8606 -4.1111 -4.3223 LDB: ============= START OF LOAD BALANCING ============== 10284.5 LDB: ============== END OF LOAD BALANCING =============== 10284.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10284.5 LDB: ============= START OF LOAD BALANCING ============== 10284.8 LDB: Largest compute 7075 load 0.032499 is 16.6% of average load 0.195523 LDB: Average compute 0.004376 is 2.2% of average load 0.195523 LDB: TIME 10284.8 LOAD: AVG 0.195523 MAX 0.214679 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.945 MB LDB: TIME 10284.8 LOAD: AVG 0.195523 MAX 0.214679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.023 MB LDB: TIME 10284.8 LOAD: AVG 0.195523 MAX 0.214679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.023 MB LDB: ============== END OF LOAD BALANCING =============== 10284.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10284.8 PRESSURE: 3252400 59.2024 91.2857 78.2206 91.2869 -227.731 -76.6475 78.2191 -76.647 -238.367 GPRESSURE: 3252400 40.2961 95.7075 18.5557 139.782 -162.535 -14.9532 17.357 -133.928 -177.33 PRESSAVG: 3252400 5.45851 18.2375 -33.0061 18.2375 3.40531 20.5412 -33.0061 20.5412 1.65475 GPRESSAVG: 3252400 6.59658 20.8031 -33.5906 16.6501 2.81577 21.8089 -32.6707 18.0131 1.47997 TIMING: 3252400 CPU: 10272.6, 0.00327124/step Wall: 10272.6, 0.00327124/step, 1.58801 hours remaining, 236.531250 MB of memory in use. ENERGY: 3252400 3968.0880 20411.4877 14376.4962 268.1116 -203392.2494 2667.5937 0.0000 0.0000 52226.9242 -109473.5480 300.1489 -161700.4723 -109099.2296 298.9122 -135.6319 -99.8561 762327.9034 3.5062 3.6308 PRESSURE: 3252600 81.6201 126.244 1.36247 126.243 149.323 -171.243 1.36269 -171.243 7.21553 GPRESSURE: 3252600 104.341 204.345 56.8041 168.644 238.921 -180.163 -8.84249 -168.039 -15.7718 PRESSAVG: 3252600 -37.719 49.9572 28.8586 49.9571 31.6737 -16.9063 28.8586 -16.9063 -0.653436 GPRESSAVG: 3252600 -38.605 49.2955 30.0863 51.3209 32.0988 -16.0538 28.2428 -17.5522 0.154556 TIMING: 3252600 CPU: 10273.3, 0.00319181/step Wall: 10273.3, 0.00319181/step, 1.54927 hours remaining, 236.734375 MB of memory in use. ENERGY: 3252600 4005.1166 20327.2785 14437.5556 247.5630 -203416.6329 2724.3406 0.0000 0.0000 51965.9985 -109708.7800 298.6493 -161674.7785 -109335.0378 298.6214 79.3863 109.1633 761122.8161 -2.2329 -2.1172 PRESSURE: 3252800 116.191 -142.608 5.99364 -142.609 -287.094 -42.1947 5.99352 -42.1959 -220.263 GPRESSURE: 3252800 0.234659 -146.579 47.3297 -217.689 -72.2612 -75.9478 -96.2674 79.2382 -240.453 PRESSAVG: 3252800 2.76159 -20.4246 4.98644 -20.4247 5.49735 -18.6207 4.98642 -18.6207 2.6404 GPRESSAVG: 3252800 2.79188 -21.2218 3.05919 -20.757 7.06398 -18.7009 5.29585 -16.8794 1.2799 TIMING: 3252800 CPU: 10273.9, 0.00317061/step Wall: 10273.9, 0.00317061/step, 1.5388 hours remaining, 236.734375 MB of memory in use. ENERGY: 3252800 4022.1336 20523.1085 14391.9066 242.4287 -203529.7641 2711.9567 0.0000 0.0000 52225.1197 -109413.1103 300.1385 -161638.2300 -109045.8543 298.9622 -130.3886 -104.1599 761572.6659 3.6331 3.7119 PRESSURE: 3253000 117.999 89.1872 169.31 89.1878 -151.156 93.2721 169.31 93.2728 -65.9517 GPRESSURE: 3253000 156.016 -14.5878 132.104 146.911 -124.46 93.4648 169.937 72.1635 -66.7536 PRESSAVG: 3253000 -43.7433 -62.7974 35.0257 -62.7974 22.8559 -1.45578 35.0258 -1.45581 0.889369 GPRESSAVG: 3253000 -41.8699 -62.1849 35.8031 -63.0109 21.0812 -2.02715 35.2598 -0.105441 0.949621 TIMING: 3253000 CPU: 10274.5, 0.00318819/step Wall: 10274.5, 0.00318819/step, 1.54716 hours remaining, 236.734375 MB of memory in use. ENERGY: 3253000 4092.1367 20530.3134 14416.8520 238.8427 -202997.6363 2393.5671 0.0000 0.0000 52120.2588 -109205.6656 299.5358 -161325.9244 -108836.6757 299.5902 -33.0363 -11.7326 762734.9209 -6.6660 -6.6130 PRESSURE: 3253200 76.4524 106.166 -125.728 106.166 79.1383 156.395 -125.728 156.395 206.341 GPRESSURE: 3253200 185.588 102.006 -119.935 110.941 29.3462 141.238 -82.8371 243.121 239.133 PRESSAVG: 3253200 23.3598 -20.4516 52.2044 -20.4516 -39.0136 -0.305562 52.2044 -0.305557 -12.4746 GPRESSAVG: 3253200 21.6782 -20.0533 53.0452 -21.3287 -38.0464 -0.127145 51.6579 -2.20803 -11.9631 TIMING: 3253200 CPU: 10275.2, 0.00319334/step Wall: 10275.2, 0.00319334/step, 1.54948 hours remaining, 236.734375 MB of memory in use. ENERGY: 3253200 4016.8563 20694.9679 14437.9957 257.4949 -202859.7549 2551.0780 0.0000 0.0000 52061.2789 -108840.0832 299.1969 -160901.3621 -108497.7106 300.8218 120.6440 151.3555 761731.4863 -9.3762 -9.4438 PRESSURE: 3253400 43.2913 -28.4096 -60.6799 -28.4108 75.1691 166.053 -60.6801 166.053 -17.969 GPRESSURE: 3253400 65.2025 -77.5934 -9.32603 73.9361 124.32 94.7534 79.9711 75.599 1.41657 PRESSAVG: 3253400 42.5847 19.9482 5.60138 19.9482 -43.1855 17.8639 5.60146 17.8639 1.51623 GPRESSAVG: 3253400 43.1521 20.5445 5.58065 17.5865 -43.5258 16.6988 6.38667 16.2481 2.4917 TIMING: 3253400 CPU: 10275.8, 0.00317061/step Wall: 10275.8, 0.00317061/step, 1.53828 hours remaining, 236.734375 MB of memory in use. ENERGY: 3253400 4062.2760 20544.7146 14457.4386 252.0032 -202626.5426 2279.1730 0.0000 0.0000 52099.2457 -108931.6915 299.4151 -161030.9372 -108577.6968 300.3352 33.4971 63.6464 762962.8359 0.3051 0.7060 PRESSURE: 3253600 225.441 106.959 119.665 106.96 95.4342 141.831 119.666 141.83 671.665 GPRESSURE: 3253600 275.131 190.671 110.679 228.147 77.0307 170.867 113.855 59.696 727.242 PRESSAVG: 3253600 -5.12415 19.7959 35.8503 19.7959 10.6596 -6.4893 35.8503 -6.48941 -7.26709 GPRESSAVG: 3253600 -4.38048 18.0279 34.0397 23.247 10.945 -5.35677 35.0433 -5.50564 -7.98818 TIMING: 3253600 CPU: 10276.4, 0.00317262/step Wall: 10276.4, 0.00317262/step, 1.53907 hours remaining, 236.734375 MB of memory in use. ENERGY: 3253600 3970.3031 20734.3084 14387.0447 263.0748 -203199.4433 2701.6299 0.0000 0.0000 52166.4119 -108976.6705 299.8011 -161143.0824 -108611.7368 299.9925 330.8465 359.8013 761333.7662 -0.5772 -0.4745 PRESSURE: 3253800 -2.96857 173.587 -151.61 173.587 16.7816 -68.6576 -151.61 -68.6575 31.5491 GPRESSURE: 3253800 63.0333 193.923 -191.796 161.448 41.9017 -164.518 -110.534 -80.6389 -0.10189 PRESSAVG: 3253800 34.6577 -1.31146 31.9686 -1.31141 -73.636 24.2327 31.9686 24.2327 -11.4796 GPRESSAVG: 3253800 34.3409 -0.448675 34.1232 -2.01757 -72.3021 21.7123 31.9852 25.5994 -12.8603 TIMING: 3253800 CPU: 10277.1, 0.00320427/step Wall: 10277.1, 0.00320427/step, 1.55425 hours remaining, 236.734375 MB of memory in use. ENERGY: 3253800 4013.3365 20547.8592 14477.9677 249.4971 -202997.5335 2468.8434 0.0000 0.0000 52411.5836 -108828.4460 301.2101 -161240.0296 -108461.8411 300.0715 15.1207 34.9444 763071.6110 -16.8193 -16.9405 PRESSURE: 3254000 217.53 -85.7402 -108.01 -85.7399 -175.778 67.5248 -108.009 67.5255 -256.024 GPRESSURE: 3254000 175.952 -199.408 -93.7617 -72.3647 -114.651 92.8031 -159.726 0.327337 -174.406 PRESSAVG: 3254000 -19.0955 -5.29376 13.8647 -5.29379 18.6714 31.8753 13.8647 31.8753 -15.534 GPRESSAVG: 3254000 -18.8685 -7.34003 13.6298 -3.65627 16.9768 33.3622 14.0265 32.4355 -13.5111 TIMING: 3254000 CPU: 10277.7, 0.00317229/step Wall: 10277.7, 0.0031723/step, 1.53856 hours remaining, 236.734375 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: 3254000 3994.3027 20519.3042 14428.8494 271.6966 -203026.1204 2649.0435 0.0000 0.0000 52221.0874 -108941.8365 300.1153 -161162.9239 -108580.0280 300.3149 -71.4240 -37.7014 762227.2466 -5.3193 -5.1343 PRESSURE: 3254200 -265.732 132.841 -11.589 132.841 -7.78229 12.5762 -11.589 12.5746 -60.192 GPRESSURE: 3254200 -300.892 10.3004 70.6747 46.3725 169.893 126.728 -133.371 -76.2483 -91.4543 PRESSAVG: 3254200 32.5736 39.0254 6.41689 39.0254 -8.42946 -7.29587 6.41684 -7.2959 -2.52091 GPRESSAVG: 3254200 32.8801 41.9911 4.60226 36.0938 -6.9193 -6.99526 7.69137 -8.27816 -4.65977 TIMING: 3254200 CPU: 10278.4, 0.00320709/step Wall: 10278.4, 0.00320709/step, 1.55526 hours remaining, 236.734375 MB of memory in use. ENERGY: 3254200 4014.2167 20519.8857 14423.9673 247.4393 -203020.7738 2308.8273 0.0000 0.0000 52381.9977 -109124.4398 301.0401 -161506.4375 -108762.4781 300.3067 -111.2354 -74.1512 761529.0853 7.2078 7.1003 PRESSURE: 3254400 -135.97 -39.5616 172.281 -39.5614 191.62 43.6508 172.28 43.6502 -200.283 GPRESSURE: 3254400 -64.9543 38.8129 145.899 -58.9023 112.775 26.9421 153.904 101.455 -106.617 PRESSAVG: 3254400 -3.87946 -26.9524 -44.7939 -26.9522 -36.3581 32.2517 -44.7939 32.2518 2.43095 GPRESSAVG: 3254400 -4.77861 -28.6882 -43.5256 -26.5901 -36.6007 32.1494 -46.6634 31.4192 3.08534 TIMING: 3254400 CPU: 10279, 0.00317791/step Wall: 10279, 0.00317791/step, 1.54093 hours remaining, 236.734375 MB of memory in use. ENERGY: 3254400 4020.5598 20355.2160 14447.4936 262.4598 -203115.5083 2748.3491 0.0000 0.0000 52006.3083 -109275.1219 298.8810 -161281.4302 -108900.7499 299.2145 -48.2111 -19.5989 763933.0026 -12.6022 -12.7647 PRESSURE: 3254600 152.175 20.5732 -241.405 20.5729 250.495 -379.807 -241.406 -379.806 -77.6259 GPRESSURE: 3254600 210.307 39.5956 -180.78 14.7751 234.311 -345.914 -183.643 -353.762 -20.4998 PRESSAVG: 3254600 20.2712 -24.5564 25.0794 -24.5565 -7.58734 -4.63798 25.0794 -4.63797 -0.921918 GPRESSAVG: 3254600 19.0968 -23.0663 25.2195 -25.2037 -8.76566 -3.78419 26.4695 -2.90935 1.43069 TIMING: 3254600 CPU: 10279.6, 0.00317695/step Wall: 10279.6, 0.00317695/step, 1.54029 hours remaining, 236.734375 MB of memory in use. ENERGY: 3254600 3978.8999 20489.3739 14420.1553 257.5552 -202876.2287 2527.3409 0.0000 0.0000 52119.6683 -109083.2352 299.5325 -161202.9035 -108719.4102 299.5103 108.3481 141.3726 762526.0306 3.9207 3.9206 PRESSURE: 3254800 125.949 -2.02149 124.55 -2.02069 -183.8 20.2788 124.55 20.2789 214.218 GPRESSURE: 3254800 186.833 -38.33 123.007 -64.9874 -121.901 -57.6213 71.5998 130.61 154.435 PRESSAVG: 3254800 4.37635 6.61636 22.925 6.61638 4.91613 18.7035 22.925 18.7034 -0.8509 GPRESSAVG: 3254800 6.3027 6.8611 21.4511 6.71736 5.68953 19.2184 22.5173 19.7837 -3.54594 TIMING: 3254800 CPU: 10280.3, 0.00317611/step Wall: 10280.3, 0.00317611/step, 1.53971 hours remaining, 236.734375 MB of memory in use. ENERGY: 3254800 3964.7080 20560.3591 14483.8685 243.9451 -203039.1546 2736.7321 0.0000 0.0000 52183.0703 -108866.4716 299.8968 -161049.5419 -108499.0462 299.5645 52.1222 73.1221 765085.9920 2.8139 2.8154 PRESSURE: 3255000 -176.409 68.8671 180.468 68.8668 -312.568 120.672 180.468 120.673 130.007 GPRESSURE: 3255000 -173.281 36.4733 185.412 114.551 -307.347 152.426 239.174 97.8271 182.634 PRESSAVG: 3255000 5.82046 9.16359 46.3724 9.16363 -14.9388 32.0518 46.3724 32.0519 21.2868 GPRESSAVG: 3255000 4.39834 8.08233 47.2466 9.86375 -15.2233 32.1699 47.8075 28.3417 23.1187 TIMING: 3255000 CPU: 10280.9, 0.00319852/step Wall: 10280.9, 0.00319852/step, 1.55039 hours remaining, 236.734375 MB of memory in use. ENERGY: 3255000 3942.8801 20493.6653 14446.6953 245.5421 -203437.5087 2676.9195 0.0000 0.0000 52518.3642 -109113.4422 301.8238 -161631.8064 -108739.2620 300.1901 -119.6566 -99.3313 762044.0032 4.0562 4.0979 PRESSURE: 3255200 34.1241 61.2897 -16.2563 61.2908 -195.299 -39.5697 -16.2558 -39.5704 -435.572 GPRESSURE: 3255200 -22.8114 39.9269 -6.02779 137.651 -86.2356 -85.9499 -24.1119 -42.4829 -387.663 PRESSAVG: 3255200 3.76456 7.10102 29.0232 7.10097 -0.318453 35.1644 29.0233 35.1644 2.73453 GPRESSAVG: 3255200 3.99979 7.88411 28.4587 6.82717 1.1612 34.9778 26.9352 36.5432 1.11559 TIMING: 3255200 CPU: 10281.5, 0.00319979/step Wall: 10281.5, 0.00319979/step, 1.55083 hours remaining, 236.734375 MB of memory in use. ENERGY: 3255200 4012.9292 20536.1071 14454.0269 232.4630 -203139.7400 2599.9900 0.0000 0.0000 52129.8054 -109174.4185 299.5907 -161304.2239 -108800.9171 300.1719 -198.9156 -165.5700 763252.6632 2.0602 2.0922 PRESSURE: 3255400 38.7206 -38.0519 172.688 -38.0515 -8.40736 254.021 172.687 254.021 -15.2298 GPRESSURE: 3255400 47.9235 -113.666 270.641 -113.793 -18.749 331.786 114.926 208.461 76.0794 PRESSAVG: 3255400 4.98646 22.883 -31.6754 22.883 -1.43602 13.9251 -31.6754 13.9252 -10.8048 GPRESSAVG: 3255400 5.32264 23.8918 -29.6009 21.8775 -2.85767 13.1866 -31.4459 15.7605 -9.62622 TIMING: 3255400 CPU: 10282.2, 0.00318391/step Wall: 10282.2, 0.00318391/step, 1.54296 hours remaining, 236.734375 MB of memory in use. ENERGY: 3255400 4043.7212 20632.4089 14384.9966 241.9681 -202894.6347 2506.7584 0.0000 0.0000 51981.6619 -109103.1196 298.7393 -161084.7815 -108758.7668 299.5335 5.0278 35.0846 761581.5811 -2.4181 -2.3871 PRESSURE: 3255600 51.7562 -35.7587 -208.171 -35.7584 -235.257 182.722 -208.171 182.722 -98.7685 GPRESSURE: 3255600 76.5839 -48.4645 -297.03 -48.7852 -244.414 205.592 -188.049 212.66 -28.5306 PRESSAVG: 3255600 5.04474 -30.5954 45.8246 -30.5955 12.8414 -8.6203 45.8246 -8.62033 26.9745 GPRESSAVG: 3255600 4.95598 -32.9362 44.8494 -29.828 13.3334 -9.03139 45.1266 -10.4784 26.9082 TIMING: 3255600 CPU: 10282.8, 0.0031819/step Wall: 10282.8, 0.0031819/step, 1.54181 hours remaining, 236.734375 MB of memory in use. ENERGY: 3255600 4002.8209 20603.2547 14491.1089 248.3803 -203256.0013 2812.0225 0.0000 0.0000 52138.6400 -108959.7740 299.6415 -161098.4140 -108603.0064 299.4977 -94.0898 -65.4535 762553.8714 14.9535 15.0659 PRESSURE: 3255800 -353.94 216.753 153.584 216.752 -291.829 -11.3187 153.583 -11.3192 -284.928 GPRESSURE: 3255800 -268.195 177.975 117.853 239.745 -302.105 -2.80609 224.794 -37.7393 -261.263 PRESSAVG: 3255800 13.0415 -20.2399 31.9911 -20.2399 -29.0501 6.93135 31.9911 6.93137 15.9786 GPRESSAVG: 3255800 14.9235 -19.4751 32.377 -20.0948 -30.3886 8.73512 32.6678 5.67413 15.2756 TIMING: 3255800 CPU: 10283.5, 0.00315405/step Wall: 10283.5, 0.00315405/step, 1.52814 hours remaining, 236.734375 MB of memory in use. ENERGY: 3255800 3987.8592 20524.0944 14383.2813 246.6547 -202773.7402 2384.9811 0.0000 0.0000 51999.5945 -109247.2750 298.8424 -161246.8695 -108884.4159 299.3487 -310.2323 -277.1876 763314.1435 -0.0100 -0.0632 PRESSURE: 3256000 -62.9965 42.8309 84.8587 42.8313 31.2895 35.7422 84.8586 35.7415 -67.6778 GPRESSURE: 3256000 22.5854 -41.766 107.146 182.658 -4.54372 57.8783 201.176 -48.5457 -43.4282 PRESSAVG: 3256000 -53.2514 -22.1731 64.4072 -22.173 -3.3892 63.3532 64.4072 63.3533 -25.9298 GPRESSAVG: 3256000 -54.0781 -20.8753 64.6713 -23.1369 -2.70404 63.6963 65.4429 64.9847 -25.3027 TIMING: 3256000 CPU: 10284.1, 0.00316652/step Wall: 10284.1, 0.00316652/step, 1.534 hours remaining, 236.734375 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: 3256000 3977.5441 20401.3338 14354.4822 225.0141 -202972.8221 2507.4438 0.0000 0.0000 52078.2294 -109428.7747 299.2943 -161507.0042 -109059.9837 299.1472 -33.1283 -8.4622 761909.2441 -27.5235 -27.3616 PRESSURE: 3256200 -311.655 149.533 -149.723 149.533 -301.526 132.203 -149.724 132.203 -70.7633 GPRESSURE: 3256200 -272.876 -24.0181 -194.025 203.386 -245.131 43.2948 -51.2939 140.071 -70.7018 PRESSAVG: 3256200 -36.9665 -18.205 49.2972 -18.205 51.3563 -5.4252 49.2973 -5.42513 3.93486 GPRESSAVG: 3256200 -37.0251 -20.8287 47.4421 -16.1795 52.0087 -7.20783 51.5756 -4.65621 3.39209 TIMING: 3256200 CPU: 10284.7, 0.00316302/step Wall: 10284.7, 0.00316302/step, 1.53213 hours remaining, 236.734375 MB of memory in use. ENERGY: 3256200 3982.3645 20539.4084 14416.9555 254.9492 -202693.1987 2140.2408 0.0000 0.0000 51949.7353 -109409.5449 298.5558 -161359.2802 -109042.1965 299.1982 -227.9815 -196.2364 761933.5992 6.1082 6.1252 LDB: ============= START OF LOAD BALANCING ============== 10297.3 LDB: ============== END OF LOAD BALANCING =============== 10297.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10297.3 LDB: ============= START OF LOAD BALANCING ============== 10297.6 LDB: Largest compute 7030 load 0.034055 is 17.4% of average load 0.195636 LDB: Average compute 0.004376 is 2.2% of average load 0.195636 LDB: TIME 10297.6 LOAD: AVG 0.195636 MAX 0.219788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.938 MB LDB: TIME 10297.6 LOAD: AVG 0.195636 MAX 0.219788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.938 MB LDB: TIME 10297.6 LOAD: AVG 0.195636 MAX 0.215659 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.938 MB LDB: ============== END OF LOAD BALANCING =============== 10297.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10297.6 PRESSURE: 3256400 52.7064 -132.383 116.898 -132.383 -113.782 112.393 116.898 112.394 380.509 GPRESSURE: 3256400 -31.3633 -70.8223 93.7561 51.5035 2.88926 20.904 125.291 119.805 422.81 PRESSAVG: 3256400 -22.7896 -49.3372 -1.92902 -49.3373 12.1407 28.1737 -1.92899 28.1737 5.28199 GPRESSAVG: 3256400 -24.0246 -49.0297 -0.00557523 -47.0319 12.6122 28.552 -4.91238 28.603 6.02664 TIMING: 3256400 CPU: 10285.4, 0.00323406/step Wall: 10285.4, 0.00323406/step, 1.56636 hours remaining, 235.675781 MB of memory in use. ENERGY: 3256400 4074.8184 20476.5667 14473.4464 245.4693 -202987.6774 2369.5917 0.0000 0.0000 52046.4433 -109301.3416 299.1116 -161347.7849 -108926.2407 299.0998 106.4775 131.4452 761772.2550 -1.7890 -1.7953 PRESSURE: 3256600 -197.95 -316.19 -124.084 -316.189 -2.79147 -196.705 -124.084 -196.705 -41.2451 GPRESSURE: 3256600 -156.921 -153.426 -96.7702 -132.853 23.5508 -138.91 -95.8743 -126.375 -14.3593 PRESSAVG: 3256600 -29.5684 -39.8396 -25.4136 -39.8396 50.0309 13.9073 -25.4136 13.9073 17.0193 GPRESSAVG: 3256600 -28.7843 -37.6168 -26.6305 -42.2474 49.8322 14.3823 -24.987 12.4743 15.9891 TIMING: 3256600 CPU: 10286, 0.00316874/step Wall: 10286, 0.00316874/step, 1.53455 hours remaining, 235.675781 MB of memory in use. ENERGY: 3256600 3974.4824 20562.9747 14353.8855 260.2879 -202878.5369 2214.0896 0.0000 0.0000 51915.3760 -109597.4407 298.3584 -161512.8166 -109230.0773 299.2695 -80.6622 -49.2433 761474.7678 12.4939 12.3457 PRESSURE: 3256800 40.6597 -122.72 -161.069 -122.719 4.36826 -107.406 -161.069 -107.407 -334.347 GPRESSURE: 3256800 90.0088 -177.291 -97.4071 -40.8676 27.5448 -84.8158 -167.18 19.9114 -312.979 PRESSAVG: 3256800 -26.7238 -24.5434 -6.65575 -24.5435 58.6498 11.9052 -6.6557 11.9052 8.09596 GPRESSAVG: 3256800 -27.0539 -27.5404 -5.9466 -24.5884 58.8462 12.2123 -6.91086 11.6887 8.30965 TIMING: 3256800 CPU: 10286.6, 0.00317561/step Wall: 10286.6, 0.00317561/step, 1.5377 hours remaining, 235.722656 MB of memory in use. ENERGY: 3256800 3964.5979 20498.3967 14416.8523 244.6144 -203324.5174 2661.7190 0.0000 0.0000 52044.8029 -109493.5342 299.1022 -161538.3371 -109136.2736 298.9715 -96.4397 -65.1420 761570.0829 13.3406 13.3673 PRESSURE: 3257000 142.4 38.1478 25.6871 38.1477 -32.7078 -14.1525 25.6864 -14.1522 239.428 GPRESSURE: 3257000 176.386 13.4203 6.98565 -27.2229 45.1829 -13.2733 -32.0034 -18.9937 213.327 PRESSAVG: 3257000 -58.3458 -64.7305 -0.943287 -64.7305 0.109151 12.7034 -0.943268 12.7034 -23.255 GPRESSAVG: 3257000 -58.6659 -62.2635 -1.4616 -65.9122 -0.0307452 13.0594 -1.62283 14.6324 -22.7097 TIMING: 3257000 CPU: 10287.3, 0.00316116/step Wall: 10287.3, 0.00316116/step, 1.53053 hours remaining, 235.722656 MB of memory in use. ENERGY: 3257000 3963.3795 20354.4811 14462.5484 238.5738 -203131.1639 2723.9925 0.0000 0.0000 51772.4112 -109615.7775 297.5368 -161388.1887 -109245.3822 298.2845 116.3733 144.9652 761396.5104 -27.1639 -27.1354 PRESSURE: 3257200 -36.5828 29.8962 -129.815 29.8966 124.524 120.917 -129.814 120.916 -379.328 GPRESSURE: 3257200 92.4847 14.7759 -129.812 -75.8475 91.4666 61.9288 14.4712 61.4963 -372.635 PRESSAVG: 3257200 -8.22714 14.1178 -27.411 14.1177 29.1723 28.0988 -27.411 28.0987 -12.4712 GPRESSAVG: 3257200 -6.82821 13.8162 -27.2775 14.2367 28.8056 26.3338 -26.9917 26.6615 -13.2581 TIMING: 3257200 CPU: 10287.9, 0.00315997/step Wall: 10287.9, 0.00315997/step, 1.52978 hours remaining, 235.722656 MB of memory in use. ENERGY: 3257200 3943.6981 20409.2614 14375.3230 253.4091 -203042.2798 2443.8722 0.0000 0.0000 51837.7682 -109778.9478 297.9124 -161616.7161 -109416.1373 298.4137 -97.1287 -62.8944 760913.3459 2.8247 2.9064 PRESSURE: 3257400 350.403 -28.0634 256.514 -28.0643 317.769 -124.187 256.514 -124.187 -18.5931 GPRESSURE: 3257400 365.972 -30.5419 280.428 -79.1409 366.283 -16.6636 327.591 -68.9342 14.7043 PRESSAVG: 3257400 -92.5209 19.4794 39.4557 19.4794 122.233 -12.8871 39.4557 -12.8871 13.0513 GPRESSAVG: 3257400 -93.6568 18.001 39.6521 21.4611 122.894 -10.6189 40.1476 -14.8166 13.0179 TIMING: 3257400 CPU: 10288.5, 0.0031759/step Wall: 10288.5, 0.0031759/step, 1.53731 hours remaining, 235.722656 MB of memory in use. ENERGY: 3257400 3901.9490 20394.9140 14336.8928 257.4378 -204043.2792 3122.3894 0.0000 0.0000 52407.4927 -109622.2034 301.1866 -162029.6962 -109242.8190 298.3733 216.5263 248.9864 759143.2729 14.2545 14.0851 PRESSURE: 3257600 -99.2658 -198.373 88.2969 -198.373 -68.7514 194.333 88.2964 194.334 53.1247 GPRESSURE: 3257600 -94.0638 -175.515 149.291 -65.2076 -25.9248 121.675 -72.9872 232.996 95.0079 PRESSAVG: 3257600 -16.8239 18.9265 44.2292 18.9265 34.641 7.76096 44.2292 7.76098 1.43071 GPRESSAVG: 3257600 -17.5094 20.9724 44.2228 18.9755 34.1017 7.29446 44.1287 8.78982 2.04424 TIMING: 3257600 CPU: 10289.2, 0.00316188/step Wall: 10289.2, 0.00316188/step, 1.53035 hours remaining, 235.722656 MB of memory in use. ENERGY: 3257600 3891.5374 20563.7246 14393.7429 237.0490 -203219.0423 2484.8530 0.0000 0.0000 51727.4405 -109920.6949 297.2783 -161648.1354 -109571.4671 298.0590 -38.2975 -8.3269 763026.8944 6.4159 6.2122 PRESSURE: 3257800 263.528 -125.825 -108.39 -125.825 203.364 142.774 -108.391 142.775 129.579 GPRESSURE: 3257800 388.162 5.1046 -60.421 -84.4401 170.073 158.391 -141.92 246.068 120.724 PRESSAVG: 3257800 35.1943 20.3076 -3.04792 20.3075 -33.2297 71.6923 -3.04792 71.6924 -17.6973 GPRESSAVG: 3257800 35.3138 21.1126 -4.7973 18.4453 -34.4045 72.8165 -3.56554 72.1396 -17.232 TIMING: 3257800 CPU: 10289.8, 0.00317514/step Wall: 10289.8, 0.00317514/step, 1.53659 hours remaining, 235.722656 MB of memory in use. ENERGY: 3257800 3934.3580 20377.1449 14431.3507 260.5894 -203840.1921 3014.5633 0.0000 0.0000 51915.2405 -109906.9453 298.3576 -161822.1858 -109541.2631 298.2721 198.8237 226.3198 760866.5839 -5.2442 -5.4409 PRESSURE: 3258000 -58.8606 42.7162 410.159 42.7172 -115.647 -123.477 410.159 -123.477 34.6759 GPRESSURE: 3258000 33.847 74.0392 423.336 15.7256 -122.659 -171.229 342.022 -69.2021 43.3424 PRESSAVG: 3258000 8.27253 -12.6999 -5.99892 -12.6999 -9.14003 -60.326 -5.99891 -60.326 6.5136 GPRESSAVG: 3258000 9.25794 -15.1439 -2.98483 -11.5902 -8.20434 -61.2645 -9.3359 -59.0217 5.10353 TIMING: 3258000 CPU: 10290.4, 0.00316415/step Wall: 10290.4, 0.00316415/step, 1.5311 hours remaining, 235.722656 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: 3258000 4027.7854 20465.8725 14455.5950 246.7690 -203562.1876 2644.0741 0.0000 0.0000 51695.1974 -110026.8942 297.0930 -161722.0916 -109659.8555 298.2161 -46.6107 -15.1565 761065.3401 1.8820 2.0524 PRESSURE: 3258200 110.985 -21.7531 -94.7796 -21.754 -120.239 -37.1864 -94.7801 -37.1871 -245.984 GPRESSURE: 3258200 86.5066 92.027 -140.792 -24.1301 -27.6831 -45.617 27.9845 -89.5091 -229.823 PRESSAVG: 3258200 -36.8592 42.6132 16.5368 42.6131 -4.21489 53.5377 16.5369 53.5377 -15.482 GPRESSAVG: 3258200 -37.9996 41.6448 14.9456 43.6178 -4.0879 54.5934 19.6429 52.5251 -14.6186 TIMING: 3258200 CPU: 10291.1, 0.00317669/step Wall: 10291.1, 0.00317669/step, 1.53699 hours remaining, 235.722656 MB of memory in use. ENERGY: 3258200 3952.0540 20402.7703 14405.5307 260.9069 -203319.4045 2436.2873 0.0000 0.0000 51709.5891 -110152.2661 297.1757 -161861.8552 -109797.0679 297.4430 -85.0796 -56.9998 760610.8874 -18.8520 -18.9020 PRESSURE: 3258400 -235.126 -95.806 4.31704 -95.8061 -286.492 -189.692 4.31732 -189.692 -306.573 GPRESSURE: 3258400 -220.384 -76.8083 36.3966 -88.0345 -190.631 -259.712 12.325 -59.3684 -323.372 PRESSAVG: 3258400 14.1118 -44.3259 -22.9025 -44.3259 24.2313 3.60535 -22.9025 3.60528 -4.90848 GPRESSAVG: 3258400 13.4926 -42.8941 -22.4794 -43.7849 25.2016 2.9407 -24.7092 6.05098 -5.36385 TIMING: 3258400 CPU: 10291.7, 0.00316521/step Wall: 10291.7, 0.00316521/step, 1.53126 hours remaining, 235.722656 MB of memory in use. ENERGY: 3258400 4044.9132 20468.2849 14440.0626 254.5441 -203755.3629 2860.5620 0.0000 0.0000 51731.0026 -109955.9935 297.2988 -161686.9961 -109612.7850 297.7022 -276.0640 -244.7958 761938.9649 11.1449 11.1101 PRESSURE: 3258600 253.257 35.8909 -250.147 35.8895 -35.671 73.5107 -250.148 73.5102 161.113 GPRESSURE: 3258600 246.653 -69.259 -258.21 107.424 14.647 54.8253 -243.763 -2.76166 202.218 PRESSAVG: 3258600 -24.7497 -47.1947 -51.6882 -47.1947 43.056 -14.755 -51.6882 -14.755 -3.23582 GPRESSAVG: 3258600 -24.474 -44.8076 -53.1439 -48.4109 42.939 -15.1901 -50.1271 -16.5455 -3.62964 TIMING: 3258600 CPU: 10292.3, 0.00316367/step Wall: 10292.3, 0.00316367/step, 1.53034 hours remaining, 235.722656 MB of memory in use. ENERGY: 3258600 3945.7172 20507.6378 14443.3804 247.0498 -203576.2596 2823.7284 0.0000 0.0000 51738.6973 -109870.0487 297.3430 -161608.7460 -109507.3810 297.8541 126.2329 154.5058 761533.8514 5.0235 4.9451 PRESSURE: 3258800 -261.791 -5.61795 -117.195 -5.61835 29.5737 -183.954 -117.195 -183.953 268.182 GPRESSURE: 3258800 -210.422 -66.1124 -78.2783 -64.1219 33.4786 -221.667 -65.2871 -232.664 302.391 PRESSAVG: 3258800 -25.4083 -28.2046 -6.88803 -28.2046 67.7065 29.1497 -6.88806 29.1498 6.73095 GPRESSAVG: 3258800 -24.1484 -31.0643 -6.09323 -26.7219 66.0738 28.056 -8.27875 29.6346 7.61815 TIMING: 3258800 CPU: 10293, 0.00317758/step Wall: 10293, 0.00317758/step, 1.53689 hours remaining, 235.722656 MB of memory in use. ENERGY: 3258800 3930.4713 20482.8280 14434.5212 244.9180 -203338.0705 2588.7411 0.0000 0.0000 51849.4079 -109807.1831 297.9793 -161656.5909 -109432.3677 298.4565 11.9881 41.8158 761859.4312 16.3431 16.5145 PRESSURE: 3259000 24.1273 -31.1429 -5.48496 -31.1425 -53.4207 -191.389 -5.48479 -191.39 -159.599 GPRESSURE: 3259000 74.0043 -141.052 43.8576 -46.6196 -68.3316 -187.838 26.074 -89.8147 -91.3653 PRESSAVG: 3259000 2.94354 0.370575 75.8867 0.370559 -6.16767 -8.15321 75.8867 -8.15326 10.4191 GPRESSAVG: 3259000 3.10753 1.27586 75.9248 -2.09607 -6.64009 -7.17693 77.2677 -6.89037 10.5594 TIMING: 3259000 CPU: 10293.6, 0.00315112/step Wall: 10293.6, 0.00315112/step, 1.52392 hours remaining, 235.722656 MB of memory in use. ENERGY: 3259000 3979.3205 20539.3804 14494.6367 260.7355 -203694.8491 2795.4519 0.0000 0.0000 51959.1333 -109666.1908 298.6099 -161625.3241 -109294.7589 299.0034 -62.9640 -28.5642 762207.8931 2.3983 2.3423 PRESSURE: 3259200 104.288 104.729 173.547 104.73 452.1 265.841 173.547 265.84 67.2895 GPRESSURE: 3259200 143.381 60.9412 171.806 98.5671 468.314 255.786 129.258 260.814 96.6976 PRESSAVG: 3259200 -9.91589 -8.17006 -6.94788 -8.17005 -6.75698 -2.56012 -6.94788 -2.56015 -16.54 GPRESSAVG: 3259200 -10.0476 -7.11438 -7.19504 -8.43739 -5.68171 -0.853739 -7.16261 -2.35246 -17.1202 TIMING: 3259200 CPU: 10294.2, 0.00314768/step Wall: 10294.2, 0.00314768/step, 1.52208 hours remaining, 235.722656 MB of memory in use. ENERGY: 3259200 3990.4446 20651.3642 14405.1741 257.8641 -203860.7196 2803.7926 0.0000 0.0000 51824.8501 -109927.2300 297.8381 -161752.0801 -109568.3963 297.9533 207.8924 236.1311 761671.3833 -11.0710 -10.9498 PRESSURE: 3259400 600.076 99.034 58.2909 99.0344 518.859 3.4865 58.2913 3.48651 -11.1608 GPRESSURE: 3259400 609.908 36.4505 78.7176 -2.32349 530.293 28.5537 43.6196 81.0621 40.743 PRESSAVG: 3259400 -26.019 -2.69268 69.71 -2.6927 54.487 31.2361 69.7099 31.2362 17.6055 GPRESSAVG: 3259400 -26.0209 -3.25229 69.3855 -1.71963 53.0826 29.7938 70.6404 29.6335 18.7041 TIMING: 3259400 CPU: 10294.9, 0.00316408/step Wall: 10294.9, 0.00316408/step, 1.52983 hours remaining, 235.722656 MB of memory in use. ENERGY: 3259400 3906.0486 20412.0432 14369.6255 245.6381 -203697.8352 2991.6650 0.0000 0.0000 51810.6710 -109962.1437 297.7566 -161772.8148 -109602.2445 298.1038 369.2579 393.6481 760943.0785 15.3578 15.2553 PRESSURE: 3259600 110.954 -242.553 -6.25658 -242.553 -217.087 100.402 -6.25662 100.401 45.4761 GPRESSURE: 3259600 49.0353 -224.741 42.4137 -193.623 -88.2563 152.289 -9.0123 110.524 56.4364 PRESSAVG: 3259600 19.6901 17.1661 8.83556 17.1662 11.0505 -22.0206 8.83554 -22.0205 6.90541 GPRESSAVG: 3259600 18.3393 18.1678 8.61067 15.688 12.6953 -22.9505 9.0819 -19.7642 7.05438 TIMING: 3259600 CPU: 10295.5, 0.00317508/step Wall: 10295.5, 0.00317508/step, 1.53497 hours remaining, 235.722656 MB of memory in use. ENERGY: 3259600 4032.3800 20642.1505 14423.0654 251.1974 -203403.2354 2601.6453 0.0000 0.0000 51711.0733 -109741.7234 297.1842 -161452.7968 -109388.3139 298.3210 -20.2188 5.7385 761591.1577 12.5487 12.6963 PRESSURE: 3259800 14.5157 68.771 154.407 68.7709 108.358 -68.9466 154.407 -68.9455 92.5694 GPRESSURE: 3259800 108.993 28.3742 316.165 73.6196 112.108 -21.9992 111.711 -80.956 99.9459 PRESSAVG: 3259800 -5.83682 41.3057 -31.7869 41.3057 15.272 -22.8135 -31.7869 -22.8134 0.85598 GPRESSAVG: 3259800 -4.83357 38.2992 -32.4764 43.8208 15.356 -21.775 -30.848 -24.6669 -0.034948 TIMING: 3259800 CPU: 10296.1, 0.00316005/step Wall: 10296.1, 0.00316005/step, 1.52753 hours remaining, 235.722656 MB of memory in use. ENERGY: 3259800 3905.1487 20635.7811 14362.2586 243.2915 -203489.7301 2774.1167 0.0000 0.0000 51744.1627 -109824.9707 297.3744 -161569.1334 -109463.3420 298.1399 71.8145 107.0158 761935.7889 3.4304 3.4958 PRESSURE: 3260000 -216.468 44.1683 -155.25 44.1681 -136.467 36.2217 -155.25 36.2216 -28.3488 GPRESSURE: 3260000 -179.174 -5.3151 -244.408 82.6728 -115.387 55.2419 -139.264 104.486 13.9598 PRESSAVG: 3260000 -66.709 -8.06316 -61.2174 -8.06316 36.4129 41.491 -61.2174 41.491 25.4575 GPRESSAVG: 3260000 -66.9842 -6.72982 -61.9905 -8.18273 36.5434 41.6138 -61.1367 42.561 25.8648 TIMING: 3260000 CPU: 10296.8, 0.00314627/step Wall: 10296.8, 0.00314627/step, 1.52069 hours remaining, 235.722656 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: 3260000 4040.0287 20345.6748 14419.2802 253.2537 -203707.7616 2869.3435 0.0000 0.0000 52002.7882 -109777.3926 298.8607 -161780.1807 -109406.8215 298.3374 -127.0946 -93.5337 763220.5332 -1.6129 -1.5253 PRESSURE: 3260200 -135.147 -38.1651 71.356 -38.1655 -167.729 22.5203 71.3558 22.5217 179.488 GPRESSURE: 3260200 -84.3497 -42.4625 -24.2683 38.1859 -76.1856 18.0601 56.774 -33.283 125.637 PRESSAVG: 3260200 -52.4264 2.96278 -23.2055 2.96277 38.5779 16.5268 -23.2055 16.5268 24.3228 GPRESSAVG: 3260200 -51.4561 2.29739 -23.5426 2.00826 38.7808 15.4922 -24.2018 16.3272 23.2155 TIMING: 3260200 CPU: 10297.4, 0.0031426/step Wall: 10297.4, 0.0031426/step, 1.51875 hours remaining, 235.722656 MB of memory in use. ENERGY: 3260200 4004.1649 20515.3870 14359.3107 250.6881 -203583.9954 2619.9842 0.0000 0.0000 52113.7428 -109720.7176 299.4984 -161834.4604 -109357.7676 298.5615 -41.1295 -11.6327 761421.6017 3.4914 3.5134 LDB: ============= START OF LOAD BALANCING ============== 10309.9 LDB: ============== END OF LOAD BALANCING =============== 10309.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10309.9 LDB: ============= START OF LOAD BALANCING ============== 10310.2 LDB: Largest compute 7030 load 0.034941 is 17.9% of average load 0.195566 LDB: Average compute 0.004378 is 2.2% of average load 0.195566 LDB: TIME 10310.2 LOAD: AVG 0.195566 MAX 0.217265 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 10310.2 LOAD: AVG 0.195566 MAX 0.217265 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 10310.2 LOAD: AVG 0.195566 MAX 0.217265 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 10310.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10310.3 PRESSURE: 3260400 -221.004 -50.8443 132.546 -50.8452 -69.1228 139.429 132.546 139.429 -184.679 GPRESSURE: 3260400 -162.664 -88.5589 147.14 -68.8353 -36.588 72.7353 83.9572 57.3905 -194.702 PRESSAVG: 3260400 -1.25053 -13.6715 42.4897 -13.6715 27.0539 23.4954 42.4897 23.4954 -1.59215 GPRESSAVG: 3260400 -2.83223 -10.6546 43.9884 -15.0894 26.7103 25.4212 42.7941 22.7203 -0.239781 TIMING: 3260400 CPU: 10298, 0.00322794/step Wall: 10298, 0.00322794/step, 1.55981 hours remaining, 236.214844 MB of memory in use. ENERGY: 3260400 3974.6079 20571.2725 14477.2415 239.2442 -203586.0887 2621.6640 0.0000 0.0000 51987.0190 -109715.0396 298.7701 -161702.0586 -109353.5645 298.6967 -158.2688 -131.3182 761501.1947 8.0704 7.8794 PRESSURE: 3260600 185.271 -11.9206 23.4984 -11.9198 -142.087 -0.302485 23.4979 -0.303134 -228.35 GPRESSURE: 3260600 180.396 1.91065 65.1858 19.6529 -109.714 -50.8922 -26.8058 -39.3128 -162.672 PRESSAVG: 3260600 -14.3017 4.07251 3.93243 4.0725 1.73971 27.7122 3.93248 27.7122 -11.3546 GPRESSAVG: 3260600 -13.8263 -0.664088 4.44078 5.98943 1.37011 27.8751 3.87138 25.4478 -11.2128 TIMING: 3260600 CPU: 10298.7, 0.00317489/step Wall: 10298.7, 0.00317489/step, 1.534 hours remaining, 236.417969 MB of memory in use. ENERGY: 3260600 3865.2968 20556.4100 14412.6648 239.2960 -203504.1028 2687.8272 0.0000 0.0000 51872.1896 -109870.4184 298.1102 -161742.6080 -109515.4764 298.5284 -61.7222 -30.6636 761168.7629 -7.9722 -7.8897 PRESSURE: 3260800 -237.756 -37.0488 -207.815 -37.0483 -93.2551 -209.635 -207.815 -209.636 -538.69 GPRESSURE: 3260800 -249.27 -47.0594 -127.852 145.004 -39.4778 -178.677 -59.833 -101.647 -507.332 PRESSAVG: 3260800 21.7244 16.4212 33.1286 16.4212 -29.7313 48.7718 33.1285 48.7718 11.9144 GPRESSAVG: 3260800 21.3759 20.4022 33.4325 16.1151 -28.9079 48.1596 33.3571 52.4418 11.719 TIMING: 3260800 CPU: 10299.3, 0.00315824/step Wall: 10299.3, 0.00315824/step, 1.52578 hours remaining, 236.417969 MB of memory in use. ENERGY: 3260800 3967.4987 20570.6913 14409.7479 252.6237 -203448.2526 2569.6557 0.0000 0.0000 51806.0858 -109871.9496 297.7303 -161678.0353 -109505.6896 298.4175 -289.9003 -265.3598 760733.9908 1.3025 1.3957 PRESSURE: 3261000 -147.542 55.4478 92.5277 55.4479 97.8904 -109.398 92.5278 -109.398 -177.296 GPRESSURE: 3261000 3.86484 66.0739 86.6844 170.734 51.7033 -10.3569 -31.809 -105.991 -201.493 PRESSAVG: 3261000 53.1715 -21.802 -0.249548 -21.802 -47.7722 48.9918 -0.249587 48.9918 1.52522 GPRESSAVG: 3261000 53.3957 -22.3992 -1.62521 -20.3899 -47.2909 49.7694 -0.711513 47.0094 0.43394 TIMING: 3261000 CPU: 10299.9, 0.00315194/step Wall: 10299.9, 0.00315194/step, 1.52256 hours remaining, 236.417969 MB of memory in use. ENERGY: 3261000 3976.8186 20439.0058 14359.5395 252.1231 -203874.1563 2879.0622 0.0000 0.0000 51907.0212 -110060.5858 298.3104 -161967.6070 -109700.5756 298.4488 -75.6492 -48.6417 760011.4692 2.3082 2.1796 PRESSURE: 3261200 93.8323 298.846 33.2738 298.845 -80.0717 -76.7316 33.2735 -76.7319 30.8818 GPRESSURE: 3261200 167.772 282.889 76.6128 178.43 -65.5196 -64.0879 107.739 -125.447 26.8331 PRESSAVG: 3261200 3.08861 -27.3974 5.39308 -27.3974 32.003 6.44725 5.39301 6.44732 0.297194 GPRESSAVG: 3261200 2.84596 -26.4402 5.7604 -27.674 29.9788 4.4833 6.01936 8.00836 1.59577 TIMING: 3261200 CPU: 10300.6, 0.0031623/step Wall: 10300.6, 0.0031623/step, 1.52739 hours remaining, 236.675781 MB of memory in use. ENERGY: 3261200 3936.9189 20481.9616 14335.8299 233.7003 -203295.5165 2333.0242 0.0000 0.0000 52022.4282 -109951.6533 298.9736 -161974.0815 -109588.3022 298.4010 14.8808 43.0286 762053.0799 11.7963 11.4735 PRESSURE: 3261400 341.376 -30.4356 -192.075 -30.4359 -221.182 -182.142 -192.075 -182.142 -119.308 GPRESSURE: 3261400 313.444 -13.3349 -171.469 -110.516 -98.0649 -224.806 -246.205 -88.1012 -128.806 PRESSAVG: 3261400 -3.35146 19.3461 -16.9045 19.3461 6.42042 25.053 -16.9046 25.0529 2.82826 GPRESSAVG: 3261400 -3.48084 17.1209 -17.0828 18.4282 7.48453 25.4821 -18.5555 26.0428 2.21562 TIMING: 3261400 CPU: 10301.2, 0.00317468/step Wall: 10301.2, 0.00317468/step, 1.5332 hours remaining, 236.675781 MB of memory in use. ENERGY: 3261400 4011.2844 20608.7385 14329.9585 247.7625 -203707.1038 2697.6616 0.0000 0.0000 52086.3336 -109725.3647 299.3409 -161811.6982 -109364.6392 298.4404 0.2955 28.8578 760951.8017 1.9657 2.0731 PRESSURE: 3261600 -114.114 51.0761 263.634 51.0756 76.9208 -114.843 263.633 -114.844 -11.0729 GPRESSURE: 3261600 -72.5753 18.642 284.181 96.3453 124.311 -124.486 282.552 -92.8068 -3.75905 PRESSAVG: 3261600 -49.177 -21.0483 -3.50497 -21.0483 49.7551 -84.1174 -3.505 -84.1175 9.08274 GPRESSAVG: 3261600 -49.3126 -21.1236 -3.15798 -20.0225 49.7027 -83.076 -3.91478 -85.8447 8.47842 TIMING: 3261600 CPU: 10301.8, 0.00318174/step Wall: 10301.8, 0.00318174/step, 1.53643 hours remaining, 236.675781 MB of memory in use. ENERGY: 3261600 4006.7553 20606.3342 14382.5778 239.7085 -203415.4040 2507.5549 0.0000 0.0000 51743.1892 -109929.2842 297.3688 -161672.4733 -109578.7533 298.0805 -16.0885 15.9922 759894.4591 3.2203 2.9562 PRESSURE: 3261800 32.2111 -205.266 180.013 -205.265 357.348 132.197 180.013 132.197 -77.5411 GPRESSURE: 3261800 73.5547 -184.101 174.819 -190.979 366.935 135.223 246.86 71.4789 -48.4688 PRESSAVG: 3261800 -58.0065 -54.5438 -13.2814 -54.5438 14.5732 20.6836 -13.2814 20.6837 7.91957 GPRESSAVG: 3261800 -57.6619 -52.9799 -14.3795 -55.8288 14.1711 19.9846 -9.95279 20.8059 7.89178 TIMING: 3261800 CPU: 10302.5, 0.00317023/step Wall: 10302.5, 0.00317023/step, 1.53069 hours remaining, 236.675781 MB of memory in use. ENERGY: 3261800 3940.7169 20495.4491 14423.5146 230.1766 -203135.0681 2326.0124 0.0000 0.0000 51922.2695 -109796.9290 298.3980 -161719.1985 -109434.7898 297.9211 104.0060 130.6735 762447.5526 -11.8379 -11.8663 PRESSURE: 3262000 250.351 -38.8458 21.9941 -38.8465 609.598 139.104 21.9946 139.103 -57.5992 GPRESSURE: 3262000 245.985 -107.211 58.1281 -98.9522 626.522 -10.7823 12.3671 93.5085 4.5673 PRESSAVG: 3262000 -38.4906 21.288 34.8388 21.288 38.3991 -25.5082 34.8388 -25.5083 9.9872 GPRESSAVG: 3262000 -39.7415 21.3211 34.6034 20.8287 38.5523 -23.8643 35.0288 -28.4747 10.9058 TIMING: 3262000 CPU: 10303.1, 0.00316095/step Wall: 10303.1, 0.00316095/step, 1.52604 hours remaining, 236.675781 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: 3262000 3975.1414 20533.5354 14402.5648 249.6420 -204070.8679 2911.4767 0.0000 0.0000 52119.1295 -109879.3781 299.5294 -161998.5075 -109509.5805 298.8099 267.4502 292.3580 759397.3919 3.2986 3.2389 PRESSURE: 3262200 246.635 30.8839 290.274 30.8846 217.182 -80.4643 290.275 -80.4655 156.495 GPRESSURE: 3262200 297.991 105.81 163.594 37.9141 278.893 -99.417 165.846 -69.4659 167.183 PRESSAVG: 3262200 -106.894 50.83 8.75671 50.8301 108.525 -20.7261 8.75663 -20.7262 -32.5344 GPRESSAVG: 3262200 -106.666 50.9263 8.2793 53.9776 108.491 -21.8125 8.44817 -18.2325 -32.765 TIMING: 3262200 CPU: 10303.7, 0.00318299/step Wall: 10303.7, 0.00318299/step, 1.5365 hours remaining, 236.675781 MB of memory in use. ENERGY: 3262200 4055.0585 20565.3586 14355.6729 244.0661 -203974.7759 3033.7438 0.0000 0.0000 51941.3291 -109779.5470 298.5075 -161720.8760 -109423.4196 298.7525 206.7705 248.0220 760557.0519 -10.3010 -10.3131 PRESSURE: 3262400 -633.276 123.865 125.091 123.866 -271.104 41.7735 125.092 41.7748 -465.343 GPRESSURE: 3262400 -622.507 110.324 96.877 -1.82255 -312.14 -12.4375 41.9803 40.6113 -354.913 PRESSAVG: 3262400 -2.60792 22.6924 -47.787 22.6924 -3.67036 -11.893 -47.787 -11.893 -22.4812 GPRESSAVG: 3262400 -2.67528 21.5424 -46.6649 22.3078 -4.44672 -11.6285 -50.0396 -12.6978 -21.803 TIMING: 3262400 CPU: 10304.4, 0.00321741/step Wall: 10304.4, 0.00321741/step, 1.55294 hours remaining, 236.675781 MB of memory in use. ENERGY: 3262400 4017.8475 20615.8721 14334.7510 248.9481 -202739.0056 1981.0994 0.0000 0.0000 51883.4740 -109657.0134 298.1750 -161540.4875 -109294.1253 298.5479 -456.5746 -429.8533 762563.6273 -9.5865 -9.6417 PRESSURE: 3262600 -55.6549 106.587 -97.5099 106.587 381.326 9.9715 -97.5094 9.971 -203.65 GPRESSURE: 3262600 62.8152 117.618 -62.5827 60.5882 251.418 -21.6315 25.1955 21.2281 -122.882 PRESSAVG: 3262600 24.7781 10.3056 -58.3378 10.3056 -14.5686 7.65832 -58.3378 7.65831 -7.15791 GPRESSAVG: 3262600 24.4188 13.3334 -58.3344 10.0377 -14.0072 6.37884 -55.8442 9.93668 -7.27485 TIMING: 3262600 CPU: 10305, 0.00319445/step Wall: 10305, 0.00319445/step, 1.54168 hours remaining, 236.675781 MB of memory in use. ENERGY: 3262600 4021.0909 20430.4287 14394.0841 241.3192 -203557.8403 2792.3773 0.0000 0.0000 52092.9646 -109585.5754 299.3790 -161678.5400 -109221.7358 298.7647 40.6735 63.7836 761539.3595 1.0172 1.0456 PRESSURE: 3262800 100.453 0.0224239 165.587 0.0225431 -106.158 152.897 165.587 152.899 141.011 GPRESSURE: 3262800 62.6094 11.3342 123.107 -66.388 -26.9404 78.8458 29.4615 47.2031 197.456 PRESSAVG: 3262800 6.87962 19.9396 4.81072 19.9396 -11.3829 7.13182 4.81067 7.1318 7.96182 GPRESSAVG: 3262800 6.50018 15.9891 3.50733 21.8588 -10.6113 6.8686 6.23259 6.07003 7.63051 TIMING: 3262800 CPU: 10305.7, 0.00318208/step Wall: 10305.7, 0.00318208/step, 1.53553 hours remaining, 236.675781 MB of memory in use. ENERGY: 3262800 3963.8282 20493.8237 14437.6550 250.6668 -203583.8227 2919.2998 0.0000 0.0000 52076.8981 -109441.6510 299.2866 -161518.5491 -109089.9867 298.8828 45.1019 77.7083 763027.7654 1.1529 1.1731 PRESSURE: 3263000 -8.1307 -49.3098 -240.118 -49.3095 -147.808 -56.7609 -240.119 -56.7612 -66.6087 GPRESSURE: 3263000 21.2933 -107.111 -172.12 -53.8998 -122.022 -74.2501 -260.715 56.2052 -38.3124 PRESSAVG: 3263000 20.8341 13.3839 2.02801 13.3839 -25.7466 -0.189755 2.02804 -0.189765 -10.6854 GPRESSAVG: 3263000 20.6745 12.8669 4.03168 12.3835 -25.5888 -0.313594 0.153695 -0.719638 -9.61592 TIMING: 3263000 CPU: 10306.3, 0.00316528/step Wall: 10306.3, 0.00316528/step, 1.52725 hours remaining, 236.675781 MB of memory in use. ENERGY: 3263000 3941.1258 20398.1303 14421.6765 258.0053 -203326.2348 2480.3870 0.0000 0.0000 52261.8664 -109565.0435 300.3497 -161826.9099 -109204.2859 299.2071 -74.1825 -46.3470 761884.6554 -5.1993 -4.8434 PRESSURE: 3263200 57.9944 81.8556 -38.4949 81.8559 407.079 -2.7379 -38.4957 -2.73786 -306.093 GPRESSURE: 3263200 94.3015 32.6987 -46.6235 0.825459 426.604 1.30956 -11.0808 -66.1674 -262.262 PRESSAVG: 3263200 22.3807 39.8712 -12.0513 39.8712 34.9585 -38.6404 -12.0512 -38.6404 2.63882 GPRESSAVG: 3263200 22.0663 40.9725 -11.1788 39.6385 35.6759 -38.448 -12.1699 -39.1613 2.50184 TIMING: 3263200 CPU: 10306.9, 0.00317335/step Wall: 10306.9, 0.00317335/step, 1.53096 hours remaining, 236.675781 MB of memory in use. ENERGY: 3263200 3950.1220 20287.2798 14417.9244 231.5270 -202933.7451 2518.6577 0.0000 0.0000 51953.2112 -109575.0230 298.5758 -161528.2342 -109213.9904 299.0756 52.9934 86.2145 762030.6789 19.9927 20.0813 PRESSURE: 3263400 61.4555 6.38762 -89.7355 6.38745 -119.885 -20.1848 -89.7358 -20.1836 167.541 GPRESSURE: 3263400 124.191 34.2235 -35.3673 -40.3457 -88.5658 -37.9742 11.6277 -63.4842 173.401 PRESSAVG: 3263400 12.0351 -23.763 1.55746 -23.763 0.00438759 -25.2479 1.55744 -25.2479 -4.18652 GPRESSAVG: 3263400 12.8153 -23.7402 0.036632 -24.6049 -0.190891 -25.4229 1.26871 -24.3824 -4.65301 TIMING: 3263400 CPU: 10307.6, 0.00319412/step Wall: 10307.6, 0.00319412/step, 1.54081 hours remaining, 236.675781 MB of memory in use. ENERGY: 3263400 3965.5201 20358.6590 14459.2359 229.1076 -202875.5181 2485.2873 0.0000 0.0000 51788.6861 -109589.0221 297.6303 -161377.7082 -109234.2004 298.3383 36.3705 69.6754 761753.8762 2.6177 2.6571 PRESSURE: 3263600 -150.367 28.3096 210.942 28.3092 -56.8138 -164.273 210.941 -164.273 41.7221 GPRESSURE: 3263600 -23.3986 62.617 185.598 -58.6664 -78.9763 -87.0546 139.964 -214.071 39.6962 PRESSAVG: 3263600 -0.735567 -67.1838 -0.0810669 -67.1838 27.9231 -52.0914 -0.0810025 -52.0914 9.40363 GPRESSAVG: 3263600 0.293157 -64.1021 -1.19693 -68.1575 26.7349 -50.5279 2.47475 -54.272 9.61512 TIMING: 3263600 CPU: 10308.2, 0.00320489/step Wall: 10308.2, 0.00320489/step, 1.54583 hours remaining, 236.675781 MB of memory in use. ENERGY: 3263600 4022.4127 20469.3719 14394.1625 266.0411 -203085.6500 2553.1537 0.0000 0.0000 51818.0873 -109562.4207 297.7993 -161380.5080 -109203.0179 298.5425 -55.1528 -20.8929 762646.2805 12.1971 12.2144 PRESSURE: 3263800 -45.7208 25.2436 20.2657 25.2442 -122.505 -139.985 20.266 -139.985 208.969 GPRESSURE: 3263800 -50.5188 -45.7463 64.2325 -109.693 -59.8396 -192.03 -1.14689 -77.3725 235.942 PRESSAVG: 3263800 22.8277 -76.1982 13.2259 -76.1983 -10.2582 -12.0857 13.226 -12.0856 -4.3623 GPRESSAVG: 3263800 21.3699 -80.2418 14.6455 -75.4057 -8.90909 -12.9001 11.1879 -10.7212 -4.00096 TIMING: 3263800 CPU: 10308.8, 0.003183/step Wall: 10308.8, 0.003183/step, 1.53509 hours remaining, 236.675781 MB of memory in use. ENERGY: 3263800 4005.6289 20538.4149 14402.7215 244.4394 -202981.6088 2325.2446 0.0000 0.0000 51622.1467 -109843.0129 296.6732 -161465.1596 -109496.1211 298.5987 13.5812 41.8611 761222.2522 2.7357 2.8199 PRESSURE: 3264000 156.827 -256.697 -59.1828 -256.697 480.657 182.591 -59.1836 182.589 297.279 GPRESSURE: 3264000 243.671 -302.874 -139.964 -259.042 482.761 192.341 -115.828 87.5969 294.075 PRESSAVG: 3264000 43.0122 -23.5206 -8.85742 -23.5207 -44.5188 -11.182 -8.85745 -11.182 20.9694 GPRESSAVG: 3264000 44.4663 -20.7953 -8.91617 -24.9419 -45.0856 -11.9516 -8.09094 -11.2762 20.2105 TIMING: 3264000 CPU: 10309.5, 0.00319236/step Wall: 10309.5, 0.00319236/step, 1.53943 hours remaining, 236.675781 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: 3264000 3941.8537 20404.3497 14382.4280 244.5677 -203169.9552 2462.9029 0.0000 0.0000 51697.1979 -110036.6552 297.1045 -161733.8531 -109683.1138 298.2131 311.5879 340.1693 763101.4080 6.4876 6.5304 PRESSURE: 3264200 12.494 27.9959 68.0429 27.9952 -13.5136 17.9249 68.0429 17.9255 0.503653 GPRESSURE: 3264200 -43.3782 57.4818 73.0741 66.3478 61.9058 23.2342 83.6161 -60.3542 67.6742 PRESSAVG: 3264200 -10.2482 6.5376 -32.5007 6.53758 -18.8287 7.75436 -32.5007 7.75433 3.53841 GPRESSAVG: 3264200 -11.1124 6.39483 -32.7702 6.55029 -18.4856 8.69057 -34.5003 8.12438 3.74752 TIMING: 3264200 CPU: 10310.1, 0.0032026/step Wall: 10310.1, 0.00320259/step, 1.54418 hours remaining, 236.675781 MB of memory in use. ENERGY: 3264200 4018.1940 20340.6226 14409.2886 266.3021 -203571.4780 2833.2343 0.0000 0.0000 51712.5162 -109991.3202 297.1925 -161703.8364 -109626.1959 297.4694 -0.1720 28.7340 761550.0621 -8.5128 -8.6168 LDB: ============= START OF LOAD BALANCING ============== 10322.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10322.7 LDB: =============== DONE WITH MIGRATION ================ 10322.7 LDB: ============= START OF LOAD BALANCING ============== 10323 LDB: Largest compute 7076 load 0.033643 is 17.2% of average load 0.195511 LDB: Average compute 0.004376 is 2.2% of average load 0.195511 LDB: TIME 10323 LOAD: AVG 0.195511 MAX 0.220071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.922 MB LDB: TIME 10323 LOAD: AVG 0.195511 MAX 0.220071 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.016 MB LDB: TIME 10323 LOAD: AVG 0.195511 MAX 0.21745 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.016 MB LDB: ============== END OF LOAD BALANCING =============== 10323 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10323 PRESSURE: 3264400 -27.6286 -96.4187 -73.2621 -96.4187 -394.529 97.0452 -73.2623 97.0456 -96.6617 GPRESSURE: 3264400 -27.9733 -75.1598 -60.62 -80.7572 -351.783 94.3415 17.1873 151.167 -62.5686 PRESSAVG: 3264400 3.60054 -56.7976 -0.316413 -56.7976 -0.294226 21.6057 -0.316394 21.6056 -1.46805 GPRESSAVG: 3264400 5.41713 -56.0564 0.206663 -56.2282 -1.0217 20.4869 1.93469 22.726 -2.25215 TIMING: 3264400 CPU: 10310.8, 0.00322912/step Wall: 10310.8, 0.00322912/step, 1.55679 hours remaining, 234.167969 MB of memory in use. ENERGY: 3264400 3949.6980 20467.0799 14319.4051 238.5126 -203224.0510 2573.0278 0.0000 0.0000 51745.3473 -109930.9803 297.3812 -161676.3276 -109565.9814 297.8418 -172.9399 -147.4416 762479.4032 0.6128 0.7144 PRESSURE: 3264600 63.5144 -154.784 115.355 -154.786 245.673 -50.4717 115.354 -50.4719 -133.169 GPRESSURE: 3264600 117.606 -83.3289 143.007 -142.632 246.939 -64.1245 79.4031 -20.631 -108.645 PRESSAVG: 3264600 43.1449 -32.4825 19.4334 -32.4826 -39.6055 0.803191 19.4335 0.803174 19.3576 GPRESSAVG: 3264600 41.8508 -32.9416 20.7371 -33.287 -39.2517 1.06029 18.052 -0.383387 20.7144 TIMING: 3264600 CPU: 10311.4, 0.00317703/step Wall: 10311.4, 0.00317703/step, 1.53151 hours remaining, 234.371094 MB of memory in use. ENERGY: 3264600 3971.3477 20560.2680 14418.5446 237.1853 -203343.0746 2715.1433 0.0000 0.0000 51689.2086 -109751.3771 297.0586 -161440.5857 -109394.5688 297.9626 58.6726 85.3002 761201.7681 7.6324 7.7712 PRESSURE: 3264800 -16.5856 -232.417 -15.901 -232.416 -602.256 -32.9203 -15.9009 -32.9204 -80.0289 GPRESSURE: 3264800 -42.9198 -240.575 31.9993 -86.94 -499.435 -59.8706 83.283 -1.76045 -65.5471 PRESSAVG: 3264800 17.6213 -11.0569 -6.43838 -11.057 -5.29878 62.0455 -6.43832 62.0455 -1.34414 GPRESSAVG: 3264800 17.8662 -12.5759 -7.19369 -8.43134 -5.42917 63.3614 -5.01008 62.1046 -1.29162 TIMING: 3264800 CPU: 10312, 0.00316373/step Wall: 10312, 0.00316373/step, 1.52492 hours remaining, 234.371094 MB of memory in use. ENERGY: 3264800 4037.0029 20442.0578 14468.5453 234.5149 -203004.3102 2420.0652 0.0000 0.0000 51842.7048 -109559.4193 297.9407 -161402.1241 -109202.2025 298.5217 -232.9568 -202.6339 763750.6394 3.6595 3.7151 PRESSURE: 3265000 -260.288 229.718 -165.826 229.718 272.915 -201.291 -165.826 -201.293 24.31 GPRESSURE: 3265000 -209.071 83.9675 -206.952 278.917 251.398 -286.351 -155.546 -3.28228 83.2974 PRESSAVG: 3265000 -17.37 -16.6225 -18.8384 -16.6225 13.3345 -4.29656 -18.8385 -4.2966 -7.57007 GPRESSAVG: 3265000 -17.1023 -17.3907 -18.5046 -16.9154 14.0932 -4.979 -18.8552 -3.35203 -8.41866 TIMING: 3265000 CPU: 10312.7, 0.00314839/step Wall: 10312.7, 0.00314839/step, 1.51735 hours remaining, 234.371094 MB of memory in use. ENERGY: 3265000 3974.8040 20349.3250 14363.7379 238.7405 -203578.6622 2923.1280 0.0000 0.0000 52087.4635 -109641.4633 299.3474 -161728.9268 -109275.9482 299.0713 12.3123 41.8750 761990.3457 -3.8685 -3.8092 PRESSURE: 3265200 69.7417 23.6276 103.391 23.6273 -137.889 -101.451 103.391 -101.452 252.252 GPRESSURE: 3265200 28.8084 -32.8518 66.7653 -72.7776 17.216 -38.2824 117.142 -62.9451 240.085 PRESSAVG: 3265200 -41.204 -28.3214 -26.6536 -28.3215 -13.0519 14.2928 -26.6535 14.2927 1.27227 GPRESSAVG: 3265200 -41.1462 -26.2016 -26.266 -29.0183 -12.4713 14.5306 -26.2734 14.1151 0.882099 TIMING: 3265200 CPU: 10313.3, 0.0031804/step Wall: 10313.3, 0.0031804/step, 1.5326 hours remaining, 234.371094 MB of memory in use. ENERGY: 3265200 4028.4351 20328.0030 14426.3449 280.7460 -203514.8807 2761.9678 0.0000 0.0000 51987.5040 -109701.8798 298.7729 -161689.3839 -109345.4338 298.6975 61.3683 95.3697 760036.5510 -17.6612 -17.5785 PRESSURE: 3265400 -132.96 -159.099 -235.723 -159.1 -115.384 67.806 -235.723 67.8057 -80.3711 GPRESSURE: 3265400 -33.3381 -229.046 -256.532 -74.7917 -99.5864 120.406 -297.03 90.7931 -121.485 PRESSAVG: 3265400 -8.03609 13.6979 -5.09221 13.698 42.2524 48.0441 -5.0922 48.0441 -5.63935 GPRESSAVG: 3265400 -8.44169 12.9413 -5.96984 14.2617 41.5206 48.8764 -6.48774 48.9839 -4.46444 TIMING: 3265400 CPU: 10313.9, 0.00317569/step Wall: 10313.9, 0.00317569/step, 1.53015 hours remaining, 234.371094 MB of memory in use. ENERGY: 3265400 3935.5706 20437.7061 14445.4980 253.9110 -203253.9453 2678.5606 0.0000 0.0000 51996.8112 -109505.8879 298.8264 -161502.6991 -109145.2004 298.7752 -109.5716 -84.8032 761947.9047 9.5257 9.5382 PRESSURE: 3265600 -391.872 -126.975 94.8282 -126.974 -388.733 193.95 94.8287 193.951 28.8286 GPRESSURE: 3265600 -359.734 -73.6944 135.838 -67.3907 -344.603 106.121 41.6291 115.964 39.8391 PRESSAVG: 3265600 63.6763 -31.4737 -91.2932 -31.4737 -56.7688 5.48239 -91.2931 5.48228 -2.1299 GPRESSAVG: 3265600 63.9019 -31.5074 -93.0021 -33.2052 -56.5543 4.8314 -90.3701 2.7983 -1.91114 TIMING: 3265600 CPU: 10314.6, 0.00316339/step Wall: 10314.6, 0.00316339/step, 1.52405 hours remaining, 234.371094 MB of memory in use. ENERGY: 3265600 3954.0189 20441.6616 14340.8160 235.1644 -202688.6947 2465.6355 0.0000 0.0000 51965.2809 -109286.1175 298.6452 -161251.3984 -108939.8808 298.8262 -250.5921 -221.4995 763185.7808 1.5925 1.8122 PRESSURE: 3265800 384.102 60.6863 248.391 60.6867 434.451 139.61 248.391 139.611 483.267 GPRESSURE: 3265800 502.412 4.57198 188.414 -10.5906 350.373 172.178 136.131 163.249 532.439 PRESSAVG: 3265800 -0.368252 10.7181 -56.7687 10.7181 13.3301 -11.6671 -56.7687 -11.6671 -2.34232 GPRESSAVG: 3265800 -0.0987289 11.1621 -54.3597 12.9028 13.0618 -10.7249 -56.0932 -11.8617 -2.60276 TIMING: 3265800 CPU: 10315.2, 0.0031831/step Wall: 10315.2, 0.0031831/step, 1.53337 hours remaining, 234.371094 MB of memory in use. ENERGY: 3265800 3966.2375 20459.9080 14375.9631 218.5442 -203053.4573 2668.8670 0.0000 0.0000 52091.0081 -109272.9294 299.3677 -161363.9375 -108923.3230 299.1991 433.9401 461.7416 760992.3394 3.5398 3.4534 PRESSURE: 3266000 10.327 -41.019 120.149 -41.019 264.667 402.863 120.15 402.862 -376.329 GPRESSURE: 3266000 109.994 -19.7576 168.658 -69.354 273.209 426.116 83.46 192.966 -409.002 PRESSAVG: 3266000 -36.5768 3.7791 3.16877 3.77905 39.7714 44.3153 3.16881 44.3152 -16.4189 GPRESSAVG: 3266000 -36.0947 3.70462 2.198 0.493069 39.2479 42.8947 0.71225 44.5172 -16.7304 TIMING: 3266000 CPU: 10315.8, 0.00318664/step Wall: 10315.8, 0.00318664/step, 1.5349 hours remaining, 234.371094 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: 3266000 3913.1966 20384.3828 14420.5114 245.5215 -202878.6581 2474.2365 0.0000 0.0000 51951.0656 -109489.7437 298.5635 -161440.8093 -109120.7640 298.9082 -33.7786 -8.5995 762379.0346 -4.4081 -4.5257 PRESSURE: 3266200 -83.2847 -68.7164 101.97 -68.7158 -204.189 -53.2507 101.97 -53.2514 -776.256 GPRESSURE: 3266200 -167.446 -41.3375 145.375 -109.298 -119.062 -40.5524 55.603 -107.585 -704.25 PRESSAVG: 3266200 33.6452 -30.7839 -20.1344 -30.7839 0.0819857 7.57811 -20.1344 7.57815 4.32227 GPRESSAVG: 3266200 33.753 -31.349 -21.1059 -28.2847 0.61447 9.15132 -17.7231 5.64644 3.61707 TIMING: 3266200 CPU: 10316.5, 0.00320474/step Wall: 10316.5, 0.00320474/step, 1.54344 hours remaining, 234.371094 MB of memory in use. ENERGY: 3266200 4075.3655 20470.9592 14381.5771 248.4603 -203034.9860 2443.0431 0.0000 0.0000 52119.3561 -109296.2246 299.5307 -161415.5807 -108937.3081 299.4775 -354.5767 -330.2528 762572.9226 12.6832 12.6615 PRESSURE: 3266400 142.889 -11.0833 151.02 -11.0835 -68.1532 51.2213 151.02 51.2212 -187.892 GPRESSURE: 3266400 208.155 -70.0645 210.567 38.7649 -14.2803 -96.4671 88.5722 89.9339 -214.248 PRESSAVG: 3266400 -39.6618 -21.6916 -6.81089 -21.6916 -8.54142 27.8242 -6.81088 27.8242 -33.5751 GPRESSAVG: 3266400 -40.5437 -21.4534 -6.26988 -21.6401 -7.43848 25.8344 -8.97001 31.7094 -33.694 TIMING: 3266400 CPU: 10317.1, 0.00318852/step Wall: 10317.1, 0.00318852/step, 1.53545 hours remaining, 234.371094 MB of memory in use. ENERGY: 3266400 4030.9865 20445.7919 14360.7308 223.9415 -202811.1731 2280.5230 0.0000 0.0000 52229.1613 -109240.0380 300.1617 -161469.1994 -108877.8005 299.4730 -37.7187 -6.7911 762676.3480 -27.2594 -27.2254 PRESSURE: 3266600 -91.9942 -31.9629 244.974 -31.9627 154.527 -28.1033 244.975 -28.1036 88.1043 GPRESSURE: 3266600 -49.8465 -70.0558 167.582 -106.969 156.698 -36.161 179.796 -40.2947 128.201 PRESSAVG: 3266600 16.8909 -47.0218 53.9348 -47.0218 -4.46061 4.35311 53.9349 4.35314 -5.33437 GPRESSAVG: 3266600 17.7482 -45.7226 53.8536 -46.8923 -6.13625 5.48284 55.3711 4.69325 -4.53317 TIMING: 3266600 CPU: 10317.8, 0.00318719/step Wall: 10317.8, 0.00318719/step, 1.53463 hours remaining, 234.371094 MB of memory in use. ENERGY: 3266600 3974.4320 20526.5391 14407.9307 240.7737 -202638.8640 2466.2471 0.0000 0.0000 51844.3923 -109178.5489 297.9504 -161022.9413 -108812.8988 299.5068 50.2123 78.3509 762480.9836 2.3653 2.3596 PRESSURE: 3266800 -127.759 16.1417 -28.0927 16.1416 328.574 337.518 -28.093 337.519 57.7886 GPRESSURE: 3266800 -53.4794 58.6693 39.412 -20.2825 376.566 295.847 -40.3153 138.773 31.3317 PRESSAVG: 3266800 -85.3985 -18.7524 -7.32736 -18.7524 114.935 -36.7317 -7.32735 -36.7317 -2.72985 GPRESSAVG: 3266800 -85.4379 -22.4 -7.22587 -18.7592 115.483 -37.6659 -7.88708 -40.2875 -3.29917 TIMING: 3266800 CPU: 10318.4, 0.00319029/step Wall: 10318.4, 0.00319029/step, 1.53595 hours remaining, 234.371094 MB of memory in use. ENERGY: 3266800 3886.2816 20406.3177 14342.1076 250.6580 -203128.2464 2545.4036 0.0000 0.0000 52310.7349 -109386.7430 300.6305 -161697.4779 -109023.6493 299.2482 86.2013 118.1395 760412.6152 8.9354 8.9152 PRESSURE: 3267000 446.652 49.9354 -146.53 49.9354 69.5136 110.64 -146.53 110.64 320.043 GPRESSURE: 3267000 526.667 -18.2353 -75.3417 101.99 75.4233 82.1746 -118.056 14.7717 333.922 PRESSAVG: 3267000 -10.7203 -9.9914 2.24771 -9.99138 31.4907 -15.0654 2.24775 -15.0654 -7.52254 GPRESSAVG: 3267000 -10.2764 -9.19232 3.29708 -9.34234 30.992 -13.9097 2.49267 -15.8431 -7.43518 TIMING: 3267000 CPU: 10319, 0.00318841/step Wall: 10319, 0.00318841/step, 1.53487 hours remaining, 234.371094 MB of memory in use. ENERGY: 3267000 3919.4716 20479.1392 14417.2841 261.5258 -203193.3130 2773.9501 0.0000 0.0000 51953.5580 -109388.3842 298.5778 -161341.9422 -109034.1809 298.5273 278.7360 312.0039 759811.9340 4.4159 4.4268 PRESSURE: 3267200 49.5637 -272.516 111.294 -272.516 315.155 -81.1039 111.294 -81.1041 31.6585 GPRESSURE: 3267200 102.785 -218.705 132.619 -207.444 399.854 5.41766 155.022 -27.3386 -25.6175 PRESSAVG: 3267200 -38.4698 -8.13408 40.6739 -8.13415 13.6312 -31.4475 40.674 -31.4475 -4.65926 GPRESSAVG: 3267200 -37.9521 -6.12374 39.4662 -8.24668 13.548 -33.1666 40.5825 -25.4363 -4.52484 TIMING: 3267200 CPU: 10319.7, 0.00317826/step Wall: 10319.7, 0.00317826/step, 1.5298 hours remaining, 234.371094 MB of memory in use. ENERGY: 3267200 3919.2496 20517.3792 14346.7386 262.4840 -202987.5356 2504.6624 0.0000 0.0000 51877.3562 -109559.6657 298.1399 -161437.0218 -109197.1578 298.9410 132.1258 159.0072 762186.8366 -9.8326 -9.6430 PRESSURE: 3267400 -14.68 -34.6994 -148.77 -34.6986 -327.146 43.0759 -148.771 43.0754 232.8 GPRESSURE: 3267400 100.775 69.8478 -128.826 -57.0764 -431.677 -52.3625 -74.8224 41.4765 289.99 PRESSAVG: 3267400 -10.5587 -9.79539 -30.3199 -9.79539 33.205 -24.7425 -30.3199 -24.7424 14.7859 GPRESSAVG: 3267400 -11.4198 -10.7193 -31.6974 -9.07061 32.9828 -23.1649 -28.2497 -28.0001 15.7478 TIMING: 3267400 CPU: 10320.3, 0.00318993/step Wall: 10320.3, 0.00318993/step, 1.53524 hours remaining, 234.371094 MB of memory in use. ENERGY: 3267400 3936.8190 20580.4415 14407.8481 249.0159 -203071.0143 2482.4837 0.0000 0.0000 51726.6233 -109687.7828 297.2736 -161414.4061 -109331.7179 298.5336 -36.3420 -13.6372 762521.9410 12.4774 12.4369 PRESSURE: 3267600 -216.255 -110.023 -88.6591 -110.023 -291.364 -26.9162 -88.6582 -26.9166 -2.94702 GPRESSURE: 3267600 -213.893 -84.9239 -42.6285 -155.153 -284.501 67.6039 -264.247 -74.9452 63.5568 PRESSAVG: 3267600 14.0378 15.6945 -16.3478 15.6945 -48.951 7.73101 -16.3477 7.73103 24.0592 GPRESSAVG: 3267600 15.0453 16.2113 -14.9639 13.1301 -49.4666 8.04684 -19.8818 9.27875 23.3391 TIMING: 3267600 CPU: 10320.9, 0.00319132/step Wall: 10320.9, 0.00319132/step, 1.53573 hours remaining, 234.371094 MB of memory in use. ENERGY: 3267600 3961.9186 20384.2916 14405.9845 227.6086 -203280.4243 2409.5944 0.0000 0.0000 52084.3206 -109806.7060 299.3293 -161891.0266 -109445.3130 298.1630 -170.1885 -144.9459 761383.7716 -3.6180 -3.6941 PRESSURE: 3267800 52.7132 -158.934 277.213 -158.933 102.415 107.137 277.213 107.137 -192.519 GPRESSURE: 3267800 141.513 -315.949 188.588 -61.9896 63.0273 181.032 301.605 75.4645 -160.494 PRESSAVG: 3267800 -38.3251 40.3471 -2.26927 40.3472 47.0137 -15.2117 -2.26926 -15.2117 -13.4798 GPRESSAVG: 3267800 -39.3103 37.804 -3.97888 40.6884 48.679 -16.5203 -1.9414 -16.072 -13.8828 TIMING: 3267800 CPU: 10321.6, 0.00317218/step Wall: 10321.6, 0.00317218/step, 1.52635 hours remaining, 234.371094 MB of memory in use. ENERGY: 3267800 3980.2176 20408.0081 14418.5563 235.7792 -203105.5212 2597.7629 0.0000 0.0000 51988.8742 -109476.3228 298.7808 -161465.1971 -109113.4497 298.5809 -12.4635 14.6821 760784.5076 -1.5971 -1.5047 PRESSURE: 3268000 28.21 -78.2035 -194.338 -78.2032 -64.3579 227.795 -194.339 227.795 196.413 GPRESSURE: 3268000 -22.4191 -80.9613 -142.355 -26.446 92.5619 192.293 -123.179 254.989 191.621 PRESSAVG: 3268000 -12.0066 1.42218 -13.0734 1.42218 4.7974 26.1469 -13.0733 26.1468 -6.77154 GPRESSAVG: 3268000 -11.7585 3.25713 -11.4693 1.01615 4.28481 25.6573 -11.7462 28.1612 -6.84796 TIMING: 3268000 CPU: 10322.2, 0.0031607/step Wall: 10322.2, 0.0031607/step, 1.52065 hours remaining, 234.371094 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: 3268000 3938.9525 20275.2711 14391.0920 244.3832 -202881.3269 2443.5399 0.0000 0.0000 52355.7670 -109232.3213 300.8893 -161588.0883 -108857.7273 299.5962 53.4216 87.2545 760928.7838 -4.6603 -4.7739 PRESSURE: 3268200 -440.326 401.596 104.8 401.596 199.051 -235.617 104.8 -235.617 43.7647 GPRESSURE: 3268200 -337.738 406.09 104.929 348.247 165.152 -188.32 -11.7843 -202.987 91.855 PRESSAVG: 3268200 12.0306 19.3281 -12.3594 19.3282 -1.04934 -12.044 -12.3595 -12.044 -9.38469 GPRESSAVG: 3268200 11.9471 19.9998 -12.2528 19.1846 -2.77123 -8.37973 -14.2273 -13.4583 -7.70589 TIMING: 3268200 CPU: 10322.8, 0.00317207/step Wall: 10322.8, 0.00317207/step, 1.52594 hours remaining, 234.371094 MB of memory in use. ENERGY: 3268200 3969.0514 20439.2232 14380.4295 250.3992 -203000.9505 2535.4509 0.0000 0.0000 52178.9999 -109247.3964 299.8734 -161426.3963 -108888.0489 299.6278 -65.8367 -26.9103 763231.9090 0.5322 0.4900 LDB: ============= START OF LOAD BALANCING ============== 10335.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10335.4 LDB: =============== DONE WITH MIGRATION ================ 10335.4 LDB: ============= START OF LOAD BALANCING ============== 10335.7 LDB: Largest compute 7026 load 0.037033 is 18.9% of average load 0.195661 LDB: Average compute 0.004387 is 2.2% of average load 0.195661 LDB: TIME 10335.7 LOAD: AVG 0.195661 MAX 0.214916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.578 MB LDB: TIME 10335.7 LOAD: AVG 0.195661 MAX 0.214916 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: TIME 10335.7 LOAD: AVG 0.195661 MAX 0.214916 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.578 MB LDB: ============== END OF LOAD BALANCING =============== 10335.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10335.7 PRESSURE: 3268400 87.344 95.2531 55.927 95.2527 171.386 178.3 55.9275 178.3 226.13 GPRESSURE: 3268400 81.5601 -74.5481 97.8036 95.2829 218.98 220.503 145.053 190.471 275.056 PRESSAVG: 3268400 -54.1207 20.2247 -43.6881 20.2247 27.1001 -33.4085 -43.6881 -33.4085 -3.32682 GPRESSAVG: 3268400 -55.2273 19.2748 -43.0221 21.5711 29.469 -35.1019 -41.6825 -31.8724 -4.25533 TIMING: 3268400 CPU: 10323.5, 0.00325409/step Wall: 10323.5, 0.00325409/step, 1.56522 hours remaining, 237.707031 MB of memory in use. ENERGY: 3268400 3992.8135 20427.2516 14407.9959 248.5247 -203334.0037 2879.3440 0.0000 0.0000 51897.5448 -109480.5293 298.2559 -161378.0741 -109120.4751 299.3843 161.6201 191.8653 762927.2450 -10.1158 -10.0045 PRESSURE: 3268600 -84.3611 292.761 83.4322 292.76 117.912 -17.456 83.4317 -17.4573 -224.376 GPRESSURE: 3268600 -83.1938 267.089 161.51 348.252 194.912 -82.9912 -137.34 -37.8391 -204.741 PRESSAVG: 3268600 -38.1659 12.8921 -59.8698 12.8921 8.63509 -57.0232 -59.8699 -57.0231 -9.10069 GPRESSAVG: 3268600 -36.1451 11.5418 -58.6511 14.4241 6.84403 -59.1274 -60.8174 -59.5696 -9.55315 TIMING: 3268600 CPU: 10324.1, 0.00318068/step Wall: 10324.1, 0.00318068/step, 1.52973 hours remaining, 237.851562 MB of memory in use. ENERGY: 3268600 3974.8709 20552.5651 14394.3602 239.7687 -203350.5402 2808.6962 0.0000 0.0000 51991.1039 -109389.1750 298.7936 -161380.2790 -109037.6722 299.1329 -63.6082 -31.0077 761750.4791 -12.8772 -12.9514 PRESSURE: 3268800 -73.675 -96.15 -38.1363 -96.1492 -185.552 87.0265 -38.1354 87.0267 -269.649 GPRESSURE: 3268800 -19.2121 -189.338 -29.4768 -118.533 -187.775 180.059 -57.1511 75.7237 -231.373 PRESSAVG: 3268800 -6.51113 -10.6899 -31.158 -10.6899 29.0647 25.4728 -31.158 25.4728 -18.6634 GPRESSAVG: 3268800 -7.15534 -8.8015 -33.4853 -12.3957 29.102 28.5816 -30.5666 26.2957 -17.5512 TIMING: 3268800 CPU: 10324.8, 0.00318169/step Wall: 10324.8, 0.00318169/step, 1.53004 hours remaining, 237.851562 MB of memory in use. ENERGY: 3268800 3993.4669 20611.7492 14467.8149 258.1614 -203354.7136 2779.7641 0.0000 0.0000 51851.8660 -109391.8911 297.9934 -161243.7571 -109047.9144 298.8246 -176.2920 -146.1201 762977.5259 1.2967 1.4651 PRESSURE: 3269000 -47.7019 -50.3746 -218.891 -50.3748 -115.043 32.7182 -218.889 32.7181 76.6522 GPRESSURE: 3269000 22.4544 -39.1222 -207.359 -28.2241 -27.9909 15.1527 -0.000143128 17.5087 10.5721 PRESSAVG: 3269000 -24.7864 -8.3257 -9.64551 -8.32567 48.5411 7.33616 -9.64553 7.33595 18.1596 GPRESSAVG: 3269000 -24.6132 -9.70649 -7.74271 -7.57857 48.9666 6.62756 -9.3698 6.12878 17.9254 TIMING: 3269000 CPU: 10325.4, 0.00318867/step Wall: 10325.4, 0.00318867/step, 1.53322 hours remaining, 237.851562 MB of memory in use. ENERGY: 3269000 3967.8412 20454.0399 14375.9561 242.9930 -203760.3053 2999.5469 0.0000 0.0000 52186.0592 -109533.8690 299.9140 -161719.9282 -109171.7601 298.7867 -28.6976 1.6785 761489.6323 13.9714 14.0929 PRESSURE: 3269200 -197.575 44.6412 -326.926 44.6414 -146.772 236.05 -326.926 236.05 67.7681 GPRESSURE: 3269200 -153.374 68.6095 -243.66 16.3367 -152.063 223.373 -280.26 414.021 132.646 PRESSAVG: 3269200 -42.6463 5.07214 31.3132 5.07212 42.5542 8.89966 31.3131 8.89964 -14.2909 GPRESSAVG: 3269200 -41.779 5.96279 31.1091 3.75699 41.4181 7.72737 34.3436 10.0962 -14.1975 TIMING: 3269200 CPU: 10326, 0.0031991/step Wall: 10326, 0.0031991/step, 1.53805 hours remaining, 237.851562 MB of memory in use. ENERGY: 3269200 4033.6504 20576.3006 14328.9945 232.9532 -203384.6138 2491.3056 0.0000 0.0000 52167.4821 -109553.9274 299.8072 -161721.4095 -109196.8916 298.8688 -92.1929 -57.5972 761511.3791 -4.7943 -4.8528 PRESSURE: 3269400 216.978 -196.791 87.971 -196.791 -186.414 -119.938 87.9702 -119.939 -267.396 GPRESSURE: 3269400 267.715 -186.944 47.2992 -116.854 -135.404 -127.338 -45.831 7.58399 -287.493 PRESSAVG: 3269400 30.3286 14.3271 -43.8615 14.3272 51.2964 75.5661 -43.8615 75.5662 7.88814 GPRESSAVG: 3269400 29.2161 14.4047 -44.5905 15.0164 52.1644 76.8071 -45.6114 76.6364 8.52651 TIMING: 3269400 CPU: 10326.7, 0.00318236/step Wall: 10326.7, 0.00318236/step, 1.52983 hours remaining, 237.851562 MB of memory in use. ENERGY: 3269400 4013.7410 20576.0975 14308.2654 233.9993 -203492.8193 2619.8758 0.0000 0.0000 52193.1473 -109547.6929 299.9547 -161740.8403 -109189.8514 299.4161 -78.9441 -51.7271 762790.1109 29.8377 29.9690 PRESSURE: 3269600 238.859 384.267 -72.2814 384.268 -148.86 -27.1758 -72.2816 -27.1744 -61.4516 GPRESSURE: 3269600 234.832 395.28 -17.8968 300.838 -86.7594 -36.5764 -4.76804 82.1678 -45.4763 PRESSAVG: 3269600 -22.9481 4.48754 -38.2971 4.48754 33.7898 50.5097 -38.2971 50.5098 22.3688 GPRESSAVG: 3269600 -23.9166 4.54314 -38.4569 2.92816 34.5659 51.0336 -39.5497 48.2817 22.5336 TIMING: 3269600 CPU: 10327.3, 0.00319071/step Wall: 10327.3, 0.00319071/step, 1.53367 hours remaining, 237.851562 MB of memory in use. ENERGY: 3269600 3978.8658 20692.6732 14403.6689 235.7643 -203389.7237 2521.2170 0.0000 0.0000 51927.4660 -109630.0684 298.4279 -161557.5344 -109275.4460 298.7802 9.5158 34.1989 760734.0430 11.0701 11.0610 PRESSURE: 3269800 -405.135 -187.557 45.7843 -187.556 -222.61 148.626 45.7838 148.626 -107.798 GPRESSURE: 3269800 -321.471 -152.75 129.876 -110.388 -208.993 108.876 39.7335 157.88 -126.688 PRESSAVG: 3269800 48.148 -4.35761 28.6258 -4.35762 -18.7515 58.0604 28.6258 58.0604 -15.0701 GPRESSAVG: 3269800 49.1531 -3.67069 31.0205 -3.37148 -18.3515 56.0815 26.8937 58.4967 -16.419 TIMING: 3269800 CPU: 10328, 0.00320131/step Wall: 10328, 0.00320131/step, 1.53858 hours remaining, 237.851562 MB of memory in use. ENERGY: 3269800 4006.0642 20587.7555 14335.3805 230.1478 -202992.6125 2496.6669 0.0000 0.0000 51774.8548 -109561.7428 297.5508 -161336.5976 -109210.6693 298.7875 -245.1809 -219.0506 763802.2511 4.7755 4.7942 PRESSURE: 3270000 366.05 -16.3547 -201.323 -16.3551 280.436 -38.123 -201.323 -38.1227 208.169 GPRESSURE: 3270000 325.899 -84.508 -197.822 81.6567 335.47 -86.1049 -140.381 35.5768 255.825 PRESSAVG: 3270000 -30.8811 -6.52721 -5.32837 -6.52717 -14.054 42.1196 -5.32835 42.1197 5.04707 GPRESSAVG: 3270000 -30.761 -8.14069 -6.80561 -5.52726 -14.883 43.5846 -4.64468 42.9872 5.92577 TIMING: 3270000 CPU: 10328.6, 0.00319927/step Wall: 10328.6, 0.00319927/step, 1.53742 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: 3270000 4008.5078 20589.0796 14446.5716 229.8102 -203981.1936 3135.1627 0.0000 0.0000 52067.5669 -109504.4947 299.2330 -161572.0616 -109145.9678 299.0965 284.8850 305.7315 762299.5332 -13.2960 -13.2394 PRESSURE: 3270200 285.376 -113.544 -131.174 -113.543 -24.0016 -7.43815 -131.174 -7.43694 -38.7355 GPRESSURE: 3270200 322.744 -37.2493 -114.118 -17.888 90.2687 -84.4989 -68.0203 -16.8219 -119.671 PRESSAVG: 3270200 3.53227 48.2637 7.56485 48.2637 8.21009 50.0844 7.56487 50.0844 9.80324 GPRESSAVG: 3270200 4.39835 51.1449 6.05038 45.825 7.17628 48.7369 9.22869 46.3378 9.56942 TIMING: 3270200 CPU: 10329.2, 0.00319427/step Wall: 10329.2, 0.00319427/step, 1.53485 hours remaining, 237.851562 MB of memory in use. ENERGY: 3270200 4028.9801 20631.8129 14377.4897 247.5975 -203746.0403 2972.5297 0.0000 0.0000 51968.1569 -109519.4737 298.6617 -161487.6306 -109155.9459 298.8107 74.2128 97.7806 763225.8107 7.1819 7.0480 PRESSURE: 3270400 -228.322 -97.8038 190.044 -97.8043 5.58786 5.51136 190.044 5.51071 -150.363 GPRESSURE: 3270400 -198.674 -105.773 214.389 -103.615 -25.2023 -27.6762 -13.62 -27.9449 -67.9042 PRESSAVG: 3270400 -56.1381 -20.5268 -14.8316 -20.5268 -8.93066 -40.5892 -14.8315 -40.5892 2.38307 GPRESSAVG: 3270400 -57.8033 -21.9332 -13.9995 -18.0333 -7.22425 -40.8092 -16.7461 -37.3543 2.14297 TIMING: 3270400 CPU: 10329.9, 0.00319897/step Wall: 10329.9, 0.00319897/step, 1.53693 hours remaining, 237.851562 MB of memory in use. ENERGY: 3270400 4016.7397 20529.3835 14345.3750 244.2935 -203451.2891 2718.0408 0.0000 0.0000 52093.0833 -109504.3733 299.3797 -161597.4566 -109145.3654 299.2319 -124.3655 -97.2602 764480.1049 -20.8952 -20.9615 PRESSURE: 3270600 -302.22 -52.9063 218.54 -52.9071 -320.37 7.11674 218.54 7.11747 -129.998 GPRESSURE: 3270600 -186.833 -18.4666 243.178 -21.4549 -307.816 -4.66352 226.039 -23.1931 -160.069 PRESSAVG: 3270600 -71.9448 15.2455 2.53779 15.2454 64.659 34.0304 2.53774 34.0304 -18.2502 GPRESSAVG: 3270600 -70.835 13.9229 0.879351 15.0274 65.8105 35.1738 4.35709 32.8333 -19.5652 TIMING: 3270600 CPU: 10330.5, 0.0032045/step Wall: 10330.5, 0.0032045/step, 1.53941 hours remaining, 237.851562 MB of memory in use. ENERGY: 3270600 3959.7418 20631.9907 14409.1086 239.1011 -203253.0677 2609.7195 0.0000 0.0000 51980.0085 -109423.3973 298.7298 -161403.4059 -109068.2403 299.0510 -250.8627 -218.2394 764758.0418 -8.5120 -8.1966 PRESSURE: 3270800 -322.155 -47.2031 -163.961 -47.2028 83.0502 -26.9689 -163.962 -26.9691 85.3636 GPRESSURE: 3270800 -287.758 -68.8166 -126.98 49.9707 -10.6393 -100.425 -160.224 82.291 235.782 PRESSAVG: 3270800 -4.70982 -13.2677 -23.4754 -13.2677 47.2111 -24.4305 -23.4753 -24.4305 6.78386 GPRESSAVG: 3270800 -6.03048 -12.545 -22.6166 -12.7448 46.1436 -21.4263 -25.7076 -24.9309 9.33547 TIMING: 3270800 CPU: 10331.2, 0.00315761/step Wall: 10331.2, 0.00315761/step, 1.5167 hours remaining, 237.851562 MB of memory in use. ENERGY: 3270800 4095.9403 20547.9213 14349.3319 253.1217 -203492.2026 2850.2056 0.0000 0.0000 51919.0727 -109476.6091 298.3796 -161395.6818 -109119.6587 299.1238 -51.2470 -20.8717 762764.6582 16.4284 16.4829 PRESSURE: 3271000 -187.231 -221.039 60.4784 -221.039 -55.8903 94.3623 60.4776 94.362 246.66 GPRESSURE: 3271000 -121.867 -148.233 171.902 -184.067 -25.5798 28.9419 29.8996 50.9232 221.913 PRESSAVG: 3271000 -51.9528 -51.9988 -14.0711 -51.9988 29.7146 -49.0155 -14.0712 -49.0156 23.24 GPRESSAVG: 3271000 -50.2343 -54.0521 -13.2953 -52.785 29.4373 -52.1562 -13.0537 -47.7682 21.5269 TIMING: 3271000 CPU: 10331.8, 0.00316096/step Wall: 10331.8, 0.00316096/step, 1.51814 hours remaining, 237.851562 MB of memory in use. ENERGY: 3271000 3957.2524 20734.9415 14406.6157 245.5488 -203308.3860 2704.6099 0.0000 0.0000 51951.3503 -109308.0673 298.5651 -161259.4176 -108954.0902 299.5419 1.1796 24.8218 761161.0043 0.3339 0.2433 PRESSURE: 3271200 -147.294 42.2356 315.308 42.2352 -18.1955 177.673 315.308 177.672 -5.75991 GPRESSURE: 3271200 -58.8068 61.0723 220.61 67.6791 -114.416 192.972 224.18 211.615 86.4453 PRESSAVG: 3271200 16.5233 28.1381 28.2573 28.1382 61.4803 26.4543 28.2573 26.4543 -2.43835 GPRESSAVG: 3271200 15.6598 28.5186 27.1504 27.5957 62.4123 26.9474 27.8167 25.9221 -2.57091 TIMING: 3271200 CPU: 10332.4, 0.00317368/step Wall: 10332.4, 0.00317368/step, 1.52407 hours remaining, 237.851562 MB of memory in use. ENERGY: 3271200 3962.8529 20455.5397 14403.3595 252.6899 -202861.3641 2423.9441 0.0000 0.0000 51956.7693 -109406.2087 298.5963 -161362.9780 -109039.5790 299.4168 -57.0830 -28.9257 761750.0366 25.1884 25.1671 PRESSURE: 3271400 -182.593 58.341 54.802 58.3404 134.746 66.0381 54.8015 66.0377 113.783 GPRESSURE: 3271400 -136.528 108.496 93.5012 127.989 164.884 40.6113 54.1149 32.3958 142.85 PRESSAVG: 3271400 -35.9172 49.7498 -58.7704 49.7498 30.2647 30.1582 -58.7704 30.1583 7.03476 GPRESSAVG: 3271400 -34.8416 50.6881 -58.3746 50.1209 29.37 29.3265 -57.6887 28.9602 7.48431 TIMING: 3271400 CPU: 10333.1, 0.00316807/step Wall: 10333.1, 0.00316807/step, 1.5212 hours remaining, 237.851562 MB of memory in use. ENERGY: 3271400 3965.0968 20560.7535 14407.8120 258.7043 -203411.3035 2939.0658 0.0000 0.0000 52066.6894 -109213.1818 299.2280 -161279.8712 -108844.3591 299.0239 21.9787 57.0687 761900.5976 0.4608 0.6709 PRESSURE: 3271600 67.0339 -187.745 -52.8974 -187.745 -83.2721 -104.654 -52.8972 -104.654 -360.286 GPRESSURE: 3271600 69.8674 -121.296 -4.04022 -57.6273 -29.2383 -136.377 -186.179 -54.0854 -315.851 PRESSAVG: 3271600 -6.41928 44.5572 -53.8747 44.5573 40.972 65.1442 -53.8747 65.1442 10.9777 GPRESSAVG: 3271600 -6.83992 45.3907 -53.4611 45.5152 41.2191 66.4924 -54.1023 66.1932 10.6914 TIMING: 3271600 CPU: 10333.7, 0.00317008/step Wall: 10333.7, 0.00317008/step, 1.52199 hours remaining, 237.851562 MB of memory in use. ENERGY: 3271600 4006.0643 20572.3357 14395.8327 259.9232 -203245.5316 2694.6520 0.0000 0.0000 52077.4465 -109239.2772 299.2898 -161316.7237 -108878.7935 299.8700 -125.5080 -91.7406 761684.3484 15.1768 15.0235 PRESSURE: 3271800 -169.504 181.942 144.261 181.942 7.19489 199.474 144.26 199.474 -308.57 GPRESSURE: 3271800 -126.482 93.7764 108.877 191.599 6.08483 215.014 127.652 184.745 -251.577 PRESSAVG: 3271800 9.27779 -54.5755 -58.3492 -54.5755 1.5667 24.1668 -58.3491 24.1669 -23.5972 GPRESSAVG: 3271800 7.64505 -55.7806 -59.5215 -57.1778 2.62424 23.339 -59.4779 24.9453 -23.0548 TIMING: 3271800 CPU: 10334.3, 0.00316847/step Wall: 10334.3, 0.00316847/step, 1.52104 hours remaining, 237.851562 MB of memory in use. ENERGY: 3271800 4042.7732 20458.7776 14480.4349 263.0552 -203345.2512 2707.5654 0.0000 0.0000 52334.8108 -109057.8341 300.7689 -161392.6449 -108698.6323 300.3303 -156.9596 -123.9912 762425.6877 -4.2509 -4.2619 PRESSURE: 3272000 55.9099 39.7825 159.404 39.7822 73.4747 61.9752 159.403 61.9751 -68.8809 GPRESSURE: 3272000 94.7722 107.889 187.472 73.2891 22.3934 107.993 67.8667 47.6885 27.6876 PRESSAVG: 3272000 -47.8802 22.9758 -20.5587 22.9758 40.9661 1.90459 -20.5586 1.90459 0.602141 GPRESSAVG: 3272000 -45.5993 21.4648 -20.0137 26.376 39.9362 3.72506 -18.5465 1.69069 -0.230265 TIMING: 3272000 CPU: 10335, 0.00318222/step Wall: 10335, 0.00318222/step, 1.52747 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: 3272000 3997.0977 20655.0329 14461.7487 238.9685 -203507.7370 2781.1336 0.0000 0.0000 52147.9009 -109225.8547 299.6947 -161373.7556 -108866.8976 299.9610 20.1679 48.2844 761642.9298 -2.1040 -1.9644 PRESSURE: 3272200 -31.3367 113.275 56.8191 113.275 -69.2681 -123.02 56.8187 -123.02 -58.9526 GPRESSURE: 3272200 6.66021 -38.6677 125.295 43.3187 14.8848 -123.119 49.4908 -78.2257 -75.1479 PRESSAVG: 3272200 -92.673 2.1956 22.9105 2.19558 57.3917 37.8319 22.9105 37.832 19.0599 GPRESSAVG: 3272200 -93.4206 2.01383 22.7198 1.10406 58.1461 35.5877 20.8367 37.6296 18.669 TIMING: 3272200 CPU: 10335.6, 0.00315502/step Wall: 10335.6, 0.00315502/step, 1.51423 hours remaining, 237.851562 MB of memory in use. ENERGY: 3272200 4042.3910 20509.9043 14341.6438 256.5568 -203333.8683 2653.5622 0.0000 0.0000 52351.2496 -109178.5606 300.8634 -161529.8102 -108817.8372 300.0425 -53.1858 -17.8676 763261.4873 -5.4071 -5.5352 LDB: ============= START OF LOAD BALANCING ============== 10348.1 LDB: ============== END OF LOAD BALANCING =============== 10348.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10348.1 LDB: ============= START OF LOAD BALANCING ============== 10348.4 LDB: Largest compute 7030 load 0.032693 is 16.7% of average load 0.195542 LDB: Average compute 0.004379 is 2.2% of average load 0.195542 LDB: TIME 10348.4 LOAD: AVG 0.195542 MAX 0.215748 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 10348.4 LOAD: AVG 0.195542 MAX 0.215748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 10348.4 LOAD: AVG 0.195542 MAX 0.215748 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 10348.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10348.5 PRESSURE: 3272400 -75.4397 -40.6896 -63.9359 -40.6901 -23.5229 216.394 -63.9362 216.394 -109.48 GPRESSURE: 3272400 -74.7883 53.2995 42.5661 0.308545 45.7974 190.355 -74.2526 113.839 -102.796 PRESSAVG: 3272400 -81.2947 -19.977 1.62543 -19.977 115.529 16.8233 1.62553 16.8232 1.88173 GPRESSAVG: 3272400 -81.8837 -17.6788 2.56197 -20.5097 115.131 16.6501 3.83614 15.4111 3.31449 TIMING: 3272400 CPU: 10336.2, 0.0032571/step Wall: 10336.2, 0.0032571/step, 1.56305 hours remaining, 235.710938 MB of memory in use. ENERGY: 3272400 4019.8594 20804.7811 14316.5506 257.3287 -203075.4970 2370.1284 0.0000 0.0000 52138.9145 -109167.9341 299.6431 -161306.8487 -108813.5131 299.8434 -69.4809 -43.9290 762358.9632 12.0387 12.1871 PRESSURE: 3272600 -456.921 26.2907 229.929 26.2908 -505.114 -182.434 229.928 -182.434 -106.225 GPRESSURE: 3272600 -425.862 68.8399 169.447 23.7717 -431.544 -151.487 303.36 -101.221 -125.761 PRESSAVG: 3272600 -7.29204 19.0117 -12.5213 19.0116 6.7776 37.5459 -12.5213 37.5458 17.0163 GPRESSAVG: 3272600 -8.05639 18.6437 -12.7698 18.4601 6.88432 40.0081 -12.955 38.9425 17.6179 TIMING: 3272600 CPU: 10336.9, 0.00316422/step Wall: 10336.9, 0.00316422/step, 1.5183 hours remaining, 235.914062 MB of memory in use. ENERGY: 3272600 4087.2962 20594.0368 14481.5158 248.6894 -203162.1834 2249.7629 0.0000 0.0000 52397.9644 -109102.9179 301.1318 -161500.8823 -108738.4153 300.0931 -356.0867 -327.7225 762488.4374 5.5006 5.4819 PRESSURE: 3272800 -135.42 153.769 -115.801 153.769 -159.768 119.271 -115.801 119.27 -105.041 GPRESSURE: 3272800 -38.3007 57.7823 -161.93 180.131 -190.869 66.3395 -108.264 139.276 -89.7945 PRESSAVG: 3272800 48.1215 -6.97528 -23.9759 -6.9752 -18.7875 -28.5207 -23.9759 -28.5208 -25.3106 GPRESSAVG: 3272800 47.9207 -7.49863 -25.954 -7.96986 -18.6225 -29.3827 -22.7144 -28.3823 -25.3624 TIMING: 3272800 CPU: 10337.5, 0.00318177/step Wall: 10337.5, 0.00318177/step, 1.52654 hours remaining, 235.914062 MB of memory in use. ENERGY: 3272800 4023.7815 20731.8936 14577.2804 243.5484 -203430.1115 2356.6164 0.0000 0.0000 52080.4967 -109416.4947 299.3073 -161496.9914 -109063.3913 300.3283 -133.4098 -106.3214 761440.9432 1.3411 1.3119 PRESSURE: 3273000 147.623 -272.675 76.5758 -272.675 74.9751 -71.8671 76.5759 -71.8656 -84.5073 GPRESSURE: 3273000 285.876 -143.524 76.0178 -198.41 -58.4639 -115.475 65.8119 -17.9792 -19.4475 PRESSAVG: 3273000 27.5521 31.5879 -30.4675 31.5879 27.1759 -7.65401 -30.4675 -7.65398 20.4005 GPRESSAVG: 3273000 28.5025 32.4164 -28.4936 33.7348 26.3259 -8.00115 -31.981 -8.5568 19.8898 TIMING: 3273000 CPU: 10338.1, 0.00317552/step Wall: 10338.1, 0.00317552/step, 1.52337 hours remaining, 235.914062 MB of memory in use. ENERGY: 3273000 3995.9658 20637.9782 14447.4396 244.5096 -203743.9310 2985.9853 0.0000 0.0000 52127.5746 -109304.4779 299.5779 -161432.0526 -108933.6205 299.8636 46.0301 69.3214 761513.8114 25.0428 24.9061 PRESSURE: 3273200 -5.45684 202.29 142.605 202.289 -454.66 -116.893 142.605 -116.893 -117.206 GPRESSURE: 3273200 -38.8209 14.0896 133.484 198.053 -399.792 -105.329 52.2731 -142.317 -63.2437 PRESSAVG: 3273200 -50.2942 -31.1079 19.5969 -31.108 -20.8564 34.2658 19.597 34.2658 24.2494 GPRESSAVG: 3273200 -50.8087 -32.6853 19.004 -30.4615 -19.6629 33.2579 19.0341 35.4621 24.3484 TIMING: 3273200 CPU: 10338.8, 0.00318404/step Wall: 10338.8, 0.00318404/step, 1.52728 hours remaining, 236.058594 MB of memory in use. ENERGY: 3273200 3937.2407 20595.4453 14418.5659 256.3468 -202831.3778 2364.6204 0.0000 0.0000 52031.4825 -109227.6762 299.0256 -161259.1587 -108874.2551 299.2992 -192.4409 -167.2856 762510.8960 -15.6337 -15.3744 PRESSURE: 3273400 77.5892 -122.422 -150.393 -122.422 235.665 -40.5227 -150.393 -40.5229 -300.242 GPRESSURE: 3273400 77.5914 -151.667 -79.542 -84.0161 199.857 -17.0237 -216.818 -105.165 -188.468 PRESSAVG: 3273400 0.251214 26.2903 -80.8982 26.2903 -22.6137 -2.75096 -80.8983 -2.7509 -6.18868 GPRESSAVG: 3273400 0.137536 25.8197 -79.4159 27.0324 -21.9126 -1.87366 -80.1056 -3.12082 -6.07431 TIMING: 3273400 CPU: 10339.4, 0.00317781/step Wall: 10339.4, 0.00317781/step, 1.52411 hours remaining, 236.058594 MB of memory in use. ENERGY: 3273400 3999.3787 20466.4938 14394.0378 260.3252 -203052.0678 2530.4584 0.0000 0.0000 52150.3522 -109251.0217 299.7088 -161401.3739 -108878.9400 300.0526 4.3373 29.6600 762476.1130 -9.5171 -9.2831 PRESSURE: 3273600 68.0924 -164.915 296.366 -164.915 62.3045 171.018 296.366 171.018 81.5083 GPRESSURE: 3273600 50.4888 -64.993 239.473 -152.59 138.272 175.048 287.313 104.894 136.771 PRESSAVG: 3273600 25.9314 21.5404 33.8367 21.5404 -35.7747 35.4813 33.8366 35.4812 7.9358 GPRESSAVG: 3273600 26.8555 22.2241 31.4664 19.5717 -36.7092 36.5647 31.745 35.1589 7.80589 TIMING: 3273600 CPU: 10340.1, 0.00317564/step Wall: 10340.1, 0.00317564/step, 1.52289 hours remaining, 236.058594 MB of memory in use. ENERGY: 3273600 3995.2729 20438.3604 14382.0124 250.5239 -203170.4258 2499.3606 0.0000 0.0000 52257.2088 -109347.6867 300.3229 -161604.8955 -108981.0884 299.7879 70.6351 108.5107 761908.9375 -0.6359 -0.6826 PRESSURE: 3273800 329.923 111.489 -277.706 111.489 280.77 338.31 -277.706 338.311 116.1 GPRESSURE: 3273800 368.74 64.2032 -244.212 79.8821 239.427 331.322 -66.272 473.25 215.967 PRESSAVG: 3273800 -1.96166 58.1646 -46.4085 58.1646 12.2703 36.018 -46.4085 36.0181 -2.58608 GPRESSAVG: 3273800 -2.58904 59.5548 -45.6365 57.8987 13.8781 34.399 -43.6202 38.0703 -3.03748 TIMING: 3273800 CPU: 10340.7, 0.00317966/step Wall: 10340.7, 0.00317966/step, 1.52465 hours remaining, 236.058594 MB of memory in use. ENERGY: 3273800 3991.1949 20418.3019 14414.1560 241.2894 -203672.1399 2965.5043 0.0000 0.0000 52140.6062 -109501.0872 299.6528 -161641.6934 -109131.3734 299.7279 242.2643 274.7113 762404.6279 2.5742 2.7505 PRESSURE: 3274000 55.0252 -289.232 -118.321 -289.232 176.672 -81.8157 -118.321 -81.8163 -24.9502 GPRESSURE: 3274000 69.7699 -163.774 -111.607 -314.368 248.903 -38.4441 -96.6598 -68.9609 -58.3142 PRESSAVG: 3274000 -28.4921 38.7552 -30.2806 38.7552 52.2355 30.2613 -30.2805 30.2613 -17.747 GPRESSAVG: 3274000 -27.8279 38.1806 -28.7707 38.7039 51.5606 30.6564 -32.4115 29.1262 -18.2665 TIMING: 3274000 CPU: 10341.3, 0.00317458/step Wall: 10341.3, 0.00317458/step, 1.52203 hours remaining, 236.058594 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: 3274000 3965.9758 20631.8682 14355.8583 244.4261 -203477.4868 2584.0450 0.0000 0.0000 52049.9056 -109645.4077 299.1315 -161695.3134 -109288.5822 298.4153 68.9156 86.7862 760712.1457 1.9988 1.8221 PRESSURE: 3274200 249.671 3.69113 218.526 3.69127 226.811 38.0033 218.527 38.0018 -37.2889 GPRESSURE: 3274200 214.242 -35.6972 193.084 54.9015 329.19 17.6315 149.823 3.58992 -30.0208 PRESSAVG: 3274200 -40.0406 -65.9725 -47.5115 -65.9724 55.3956 -11.209 -47.5114 -11.209 1.36236 GPRESSAVG: 3274200 -39.9833 -64.9375 -47.529 -66.3741 54.3018 -11.2385 -47.166 -11.4465 1.41474 TIMING: 3274200 CPU: 10342, 0.00316506/step Wall: 10342, 0.00316506/step, 1.51729 hours remaining, 236.058594 MB of memory in use. ENERGY: 3274200 3972.2894 20542.6718 14389.2892 257.8310 -203254.2114 2728.0581 0.0000 0.0000 51761.9289 -109602.1430 297.4765 -161364.0719 -109246.9525 298.5815 146.3979 171.1370 763533.9591 5.5725 5.2444 PRESSURE: 3274400 50.4166 -60.3063 203.271 -60.3073 -37.8337 -9.13279 203.272 -9.13182 472.754 GPRESSURE: 3274400 26.8864 43.4757 96.4675 5.66423 100.52 2.38243 -29.703 -168.75 450.875 PRESSAVG: 3274400 16.8622 -16.1956 -26.4916 -16.1955 1.21206 -26.3833 -26.4916 -26.3834 -11.3305 GPRESSAVG: 3274400 15.6469 -14.7129 -27.5559 -17.9464 2.99044 -27.2589 -27.7301 -25.5874 -11.5836 TIMING: 3274400 CPU: 10342.6, 0.00319503/step Wall: 10342.6, 0.00319503/step, 1.53148 hours remaining, 236.058594 MB of memory in use. ENERGY: 3274400 4083.6139 20482.7545 14441.8589 229.7551 -203770.9249 2904.1051 0.0000 0.0000 52159.9058 -109468.9317 299.7637 -161628.8375 -109111.0644 298.9498 161.7789 192.7606 760787.7648 2.2479 2.3512 PRESSURE: 3274600 -293.114 100.238 19.8516 100.237 89.1807 -76.3342 19.8514 -76.3354 128.023 GPRESSURE: 3274600 -313.345 95.6462 -11.8781 64.6558 149.523 4.56752 70.4788 -39.764 175.884 PRESSAVG: 3274600 -20.5344 -24.5253 -50.0523 -24.5253 58.5167 6.29524 -50.0523 6.29523 -14.5753 GPRESSAVG: 3274600 -20.0667 -25.9448 -48.5074 -22.7464 57.2604 8.14382 -48.7642 5.8452 -13.6281 TIMING: 3274600 CPU: 10343.2, 0.00318235/step Wall: 10343.2, 0.00318235/step, 1.52523 hours remaining, 236.058594 MB of memory in use. ENERGY: 3274600 4031.5100 20506.6406 14355.6271 224.4290 -202848.1417 2331.3784 0.0000 0.0000 51824.5036 -109574.0530 297.8361 -161398.5566 -109217.7826 299.0942 -25.3036 4.0208 762556.6172 7.8023 7.8552 PRESSURE: 3274800 -209.218 -150.697 -201.7 -150.697 -151.499 110.885 -201.701 110.886 -269.411 GPRESSURE: 3274800 -185.138 -182.597 -223.375 -114.247 -128.338 188.993 -170.076 36.3949 -231.363 PRESSAVG: 3274800 -53.911 -45.9815 -4.81769 -45.9815 17.8834 5.38981 -4.81767 5.3898 -9.75395 GPRESSAVG: 3274800 -53.7889 -45.7593 -6.21927 -46.7298 18.5285 5.48843 -3.00872 4.42369 -10.2638 TIMING: 3274800 CPU: 10343.9, 0.0031982/step Wall: 10343.9, 0.0031982/step, 1.53265 hours remaining, 236.058594 MB of memory in use. ENERGY: 3274800 4027.5150 20356.1314 14441.5023 246.1399 -203277.9999 2515.8404 0.0000 0.0000 51849.4306 -109841.4403 297.9794 -161690.8708 -109469.0655 298.2128 -210.0430 -181.6129 763664.3696 -15.2605 -15.1747 PRESSURE: 3275000 163.718 117.851 -38.2876 117.851 206.065 -29.2171 -38.2889 -29.2159 413.051 GPRESSURE: 3275000 239.294 165.026 -132.671 33.0783 154.362 31.7238 -65.7873 -92.5611 463.001 PRESSAVG: 3275000 -52.2082 -31.8601 -28.2233 -31.8601 36.0194 8.55598 -28.2232 8.55595 36.2725 GPRESSAVG: 3275000 -50.1233 -32.0868 -28.7358 -31.5458 34.4593 8.29453 -27.8651 9.18536 36.2482 TIMING: 3275000 CPU: 10344.5, 0.00318521/step Wall: 10344.5, 0.00318521/step, 1.52625 hours remaining, 236.058594 MB of memory in use. ENERGY: 3275000 3997.8126 20441.4972 14388.0244 237.0615 -203356.9504 2708.4532 0.0000 0.0000 51828.1393 -109755.9623 297.8570 -161584.1016 -109406.5545 297.8012 260.9448 285.5523 761643.5787 6.6946 6.8614 PRESSURE: 3275200 58.9749 -3.73063 -6.01558 -3.73024 -135.9 -76.6793 -6.0159 -76.6791 -320.018 GPRESSURE: 3275200 21.5906 -67.1608 -54.7275 -80.9254 -84.2348 26.5157 -44.6566 -83.9891 -261.219 PRESSAVG: 3275200 38.7531 -8.09401 -13.3372 -8.09399 -60.0114 -36.1735 -13.3373 -36.1734 17.7488 GPRESSAVG: 3275200 37.0916 -8.68496 -13.9543 -8.41952 -59.2181 -34.7864 -15.6723 -38.5097 18.1206 TIMING: 3275200 CPU: 10345.1, 0.00319911/step Wall: 10345.1, 0.00319911/step, 1.53273 hours remaining, 236.058594 MB of memory in use. ENERGY: 3275200 3952.3909 20550.5238 14449.3176 268.3134 -203315.7944 2703.6226 0.0000 0.0000 51721.9562 -109669.6699 297.2468 -161391.6261 -109305.4451 298.4693 -132.3143 -107.9543 761121.6797 -1.1698 -1.3353 PRESSURE: 3275400 15.8662 -23.8576 -178.757 -23.8585 152.124 -75.9149 -178.757 -75.9151 -244.493 GPRESSURE: 3275400 11.4807 -101.114 -233.948 -49.2463 166.779 -129.321 -28.8658 40.8 -161.521 PRESSAVG: 3275400 29.3955 7.20466 19.2657 7.20471 -32.8762 -53.2572 19.2658 -53.2571 9.69123 GPRESSAVG: 3275400 28.3338 8.06801 21.9709 6.37559 -31.5617 -53.1837 19.6438 -50.0263 9.22053 TIMING: 3275400 CPU: 10345.8, 0.00318756/step Wall: 10345.8, 0.00318756/step, 1.52702 hours remaining, 236.058594 MB of memory in use. ENERGY: 3275400 3960.7480 20508.5951 14407.3768 243.7790 -203193.9248 2371.1307 0.0000 0.0000 52290.1810 -109412.1141 300.5124 -161702.2951 -109047.8560 298.9224 -25.5009 5.5794 760829.9619 2.0701 1.9975 PRESSURE: 3275600 -111.148 2.98785 -57.2767 2.98798 386.227 -75.9999 -57.2773 -76 165.344 GPRESSURE: 3275600 -9.84742 19.9603 -67.7766 6.41538 372.921 -49.3311 -120.699 -146.709 179.11 PRESSAVG: 3275600 -59.0139 -14.292 12.2418 -14.2919 98.1518 -23.3154 12.2418 -23.3153 6.63377 GPRESSAVG: 3275600 -58.153 -15.3025 11.9151 -13.5711 97.6994 -24.9148 12.9517 -26.075 6.47199 TIMING: 3275600 CPU: 10346.4, 0.00318943/step Wall: 10346.4, 0.00318943/step, 1.52774 hours remaining, 236.058594 MB of memory in use. ENERGY: 3275600 4050.2305 20327.2080 14409.7075 249.9884 -203562.8107 2794.7221 0.0000 0.0000 52228.9685 -109501.9855 300.1606 -161730.9541 -109144.9156 299.3406 146.8078 180.7279 759874.5350 15.2572 15.3395 PRESSURE: 3275800 -287.375 22.037 -90.7286 22.0369 -282.795 148.279 -90.7281 148.279 42.5164 GPRESSURE: 3275800 -239.34 60.1863 -7.78645 44.5806 -275.635 211.514 -10.272 92.2899 60.675 PRESSAVG: 3275800 19.5087 -14.1335 25.1171 -14.1334 26.576 -3.36072 25.117 -3.36073 18.2842 GPRESSAVG: 3275800 20.3432 -13.1492 26.3815 -13.4785 25.8074 -1.69624 23.8591 -3.75089 18.7532 TIMING: 3275800 CPU: 10347.1, 0.00321354/step Wall: 10347.1, 0.00321354/step, 1.53911 hours remaining, 236.046875 MB of memory in use. ENERGY: 3275800 4006.7804 20518.4748 14430.9129 247.3299 -203738.0439 2821.8239 0.0000 0.0000 52082.3117 -109630.4102 299.3178 -161712.7220 -109264.7033 298.8992 -175.8845 -151.4332 761452.0453 21.4563 21.6346 PRESSURE: 3276000 108.376 -13.2569 -204.201 -13.256 216.662 -99.2951 -204.2 -99.2947 23.7639 GPRESSURE: 3276000 115.694 34.41 -227.085 -16.0669 219.701 -97.4201 -119.663 -102.475 74.2284 PRESSAVG: 3276000 7.51005 -21.3696 -26.5826 -21.3696 -16.6604 -26.6751 -26.5825 -26.6752 10.408 GPRESSAVG: 3276000 7.36222 -20.4766 -29.9318 -22.8659 -15.3437 -28.398 -24.6487 -24.8863 9.06159 TIMING: 3276000 CPU: 10347.7, 0.00317429/step Wall: 10347.7, 0.00317429/step, 1.52013 hours remaining, 236.058594 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: 3276000 3956.9083 20570.9716 14385.9729 241.0803 -203482.3040 2704.9112 0.0000 0.0000 52039.3372 -109583.1226 299.0708 -161622.4598 -109229.1622 299.0484 116.2671 136.5411 761918.1779 0.4192 0.3600 PRESSURE: 3276200 -190.61 -146.345 89.8952 -146.346 -101.955 -75.7579 89.8961 -75.758 -567.498 GPRESSURE: 3276200 -201.859 -130.589 71.8551 -107.179 -90.8761 33.8833 114.705 -19.6304 -496.135 PRESSAVG: 3276200 -23.6119 -24.3777 -57.5614 -24.3778 0.631276 -18.1108 -57.5614 -18.1108 -4.26018 GPRESSAVG: 3276200 -23.4918 -24.1321 -56.8593 -23.4889 0.0341205 -18.8904 -56.6869 -19.2681 -3.42437 TIMING: 3276200 CPU: 10348.3, 0.00318542/step Wall: 10348.3, 0.00318542/step, 1.52528 hours remaining, 236.058594 MB of memory in use. ENERGY: 3276200 4076.0092 20575.5532 14397.7397 238.1128 -203361.5131 2638.7452 0.0000 0.0000 51844.8789 -109590.4741 297.9532 -161435.3530 -109231.8424 299.3469 -286.6878 -262.9568 763337.7164 -9.0803 -8.9607 LDB: ============= START OF LOAD BALANCING ============== 10360.9 LDB: ============== END OF LOAD BALANCING =============== 10360.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10360.9 LDB: ============= START OF LOAD BALANCING ============== 10361.2 LDB: Largest compute 7026 load 0.033504 is 17.1% of average load 0.195458 LDB: Average compute 0.004397 is 2.2% of average load 0.195458 LDB: TIME 10361.2 LOAD: AVG 0.195458 MAX 0.212716 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.879 MB LDB: TIME 10361.2 LOAD: AVG 0.195458 MAX 0.212716 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.945 MB LDB: TIME 10361.2 LOAD: AVG 0.195458 MAX 0.212716 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.945 MB LDB: ============== END OF LOAD BALANCING =============== 10361.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10361.2 PRESSURE: 3276400 -133.563 220.271 -31.2345 220.271 66.9345 -116.737 -31.2362 -116.738 -488.509 GPRESSURE: 3276400 -33.02 96.277 -50.8492 70.8046 70.5523 -83.0642 -123.478 -187.52 -513.307 PRESSAVG: 3276400 -17.8494 -30.2189 -49.1347 -30.2188 37.1989 -8.84728 -49.1348 -8.84723 -5.63586 GPRESSAVG: 3276400 -19.2948 -31.4049 -48.8097 -30.8747 37.9425 -7.25243 -50.9114 -9.10211 -5.28527 TIMING: 3276400 CPU: 10349, 0.00324759/step Wall: 10349, 0.00324759/step, 1.55487 hours remaining, 236.675781 MB of memory in use. ENERGY: 3276400 4033.6800 20533.8378 14374.3162 248.2600 -203316.1155 2563.7428 0.0000 0.0000 52111.5208 -109450.7578 299.4856 -161562.2786 -109081.3707 299.1064 -185.0456 -158.5917 762646.8366 4.5712 4.4541 PRESSURE: 3276600 166.295 -22.9673 91.3551 -22.9675 -61.4385 50.9261 91.355 50.9264 31.601 GPRESSURE: 3276600 220.491 16.6827 149.087 -8.90694 -34.5602 18.1498 118.512 99.7059 42.8029 PRESSAVG: 3276600 5.89362 21.7205 -59.1633 21.7205 -13.3056 -5.77758 -59.1634 -5.77768 -19.4081 GPRESSAVG: 3276600 7.05434 19.6915 -58.2046 24.1867 -14.2789 -5.86685 -58.4895 -4.55653 -19.854 TIMING: 3276600 CPU: 10349.6, 0.00318051/step Wall: 10349.6, 0.00318051/step, 1.52258 hours remaining, 236.878906 MB of memory in use. ENERGY: 3276600 3952.8079 20541.3687 14451.6436 239.0569 -203602.2194 2895.8395 0.0000 0.0000 52221.5621 -109299.9407 300.1180 -161521.5028 -108952.3400 299.6120 45.4858 76.2445 760204.2093 -8.9400 -9.0262 PRESSURE: 3276800 130.079 255.829 186.87 255.83 36.7958 -135.948 186.87 -135.948 211.834 GPRESSURE: 3276800 101.092 252.901 210.594 156.851 118.422 -125.993 15.115 -94.5777 227.526 PRESSAVG: 3276800 0.9911 20.4932 -80.3551 20.4931 -54.7634 36.6502 -80.3551 36.6502 7.44751 GPRESSAVG: 3276800 0.568695 21.1928 -81.5253 19.6893 -54.1134 35.3497 -82.1723 37.5002 7.38718 TIMING: 3276800 CPU: 10350.3, 0.00317002/step Wall: 10350.3, 0.00317002/step, 1.51738 hours remaining, 236.878906 MB of memory in use. ENERGY: 3276800 3964.6603 20397.3977 14426.8305 237.2070 -203266.1498 2586.9236 0.0000 0.0000 51992.6745 -109660.4564 298.8026 -161653.1309 -109292.3232 299.1410 126.2361 149.0134 762033.3599 -15.4416 -15.3858 PRESSURE: 3277000 -263.592 109.177 50.5238 109.176 -458.161 64.35 50.5233 64.3512 -61.1268 GPRESSURE: 3277000 -257.694 108.632 175.97 122.752 -382.089 5.17227 -96.6857 3.84995 -44.9153 PRESSAVG: 3277000 19.2666 5.20661 6.54465 5.20658 -20.4325 -13.5183 6.54461 -13.5183 15.8681 GPRESSAVG: 3277000 17.8851 5.20984 8.00329 6.22611 -20.718 -14.5373 5.97559 -14.874 17.5265 TIMING: 3277000 CPU: 10350.9, 0.00319015/step Wall: 10350.9, 0.00319015/step, 1.52684 hours remaining, 236.878906 MB of memory in use. ENERGY: 3277000 4044.4556 20365.0967 14449.1153 236.5278 -203322.2515 2628.6803 0.0000 0.0000 51902.1473 -109696.2286 298.2824 -161598.3759 -109329.0263 298.5149 -260.9597 -228.2327 761737.6734 4.9007 4.8979 PRESSURE: 3277200 504.555 30.4919 161.672 30.4924 88.838 338.275 161.671 338.276 -228.712 GPRESSURE: 3277200 479.565 226.902 125.695 14.7724 143.958 249.836 88.9237 184.037 -159.077 PRESSAVG: 3277200 53.319 -0.0613576 50.9079 -0.0613174 -4.15035 -52.3957 50.908 -52.3956 14.1607 GPRESSAVG: 3277200 53.9828 1.32964 50.468 0.912797 -4.71041 -51.0433 51.6064 -53.069 14.0828 TIMING: 3277200 CPU: 10351.5, 0.0031804/step Wall: 10351.5, 0.0031804/step, 1.522 hours remaining, 236.878906 MB of memory in use. ENERGY: 3277200 3988.2595 20482.9454 14382.3648 240.2731 -203509.7781 2735.1329 0.0000 0.0000 52134.6294 -109546.1730 299.6184 -161680.8024 -109185.0507 298.7477 121.5604 154.8154 760039.2709 21.1098 21.1184 PRESSURE: 3277400 -310.315 49.4333 73.9042 49.4329 56.5632 -54.2802 73.9035 -54.2807 162.969 GPRESSURE: 3277400 -240.66 117.251 106.723 94.5768 94.4307 -14.8758 135.902 68.778 109.453 PRESSAVG: 3277400 2.87605 2.72044 49.3761 2.7204 -20.6446 42.0904 49.376 42.0904 -21.124 GPRESSAVG: 3277400 4.56219 4.26608 48.7039 1.57346 -21.2341 42.7604 49.7772 42.1211 -22.6255 TIMING: 3277400 CPU: 10352.2, 0.00318063/step Wall: 10352.2, 0.00318063/step, 1.52193 hours remaining, 236.878906 MB of memory in use. ENERGY: 3277400 4041.7431 20577.9444 14413.0392 263.0539 -203120.7130 2288.3392 0.0000 0.0000 51886.4326 -109650.1605 298.1920 -161536.5931 -109299.7329 298.4987 -30.2607 -12.2588 760394.3927 -12.9642 -13.0992 PRESSURE: 3277600 -358.5 67.2677 -146.931 67.2674 129.852 -69.2394 -146.931 -69.2396 -15.4776 GPRESSURE: 3277600 -328.854 29.479 -153.006 -33.1655 150.998 -49.312 -128.787 58.8085 13.6295 PRESSAVG: 3277600 -30.1246 55.763 -29.8538 55.7629 57.4863 5.30929 -29.8538 5.30932 9.10753 GPRESSAVG: 3277600 -30.6929 54.917 -28.6956 54.7335 57.5988 3.37373 -33.0614 6.31802 9.64064 TIMING: 3277600 CPU: 10352.8, 0.00319652/step Wall: 10352.8, 0.00319652/step, 1.52936 hours remaining, 236.878906 MB of memory in use. ENERGY: 3277600 4018.9901 20584.9873 14437.8309 237.8935 -203359.0089 2577.5032 0.0000 0.0000 51876.9309 -109624.8731 298.1374 -161501.8039 -109261.7859 298.8796 -81.3751 -54.7424 759622.3068 12.1564 12.1822 PRESSURE: 3277800 -79.6526 60.7697 -105.102 60.7696 -106.625 -188.958 -105.103 -188.959 23.3891 GPRESSURE: 3277800 -26.7074 96.637 -153.698 76.0595 -46.2073 -193.844 -108.584 -201.373 2.32591 PRESSAVG: 3277800 31.5673 28.8127 13.5266 28.8127 16.4449 -42.2469 13.5265 -42.247 -14.4038 GPRESSAVG: 3277800 30.0817 27.7922 11.9141 29.3102 18.2823 -41.6181 18.8662 -43.4504 -14.2034 TIMING: 3277800 CPU: 10353.4, 0.00317858/step Wall: 10353.4, 0.00317858/step, 1.5206 hours remaining, 236.878906 MB of memory in use. ENERGY: 3277800 4035.8526 20563.7139 14376.6111 251.0652 -203377.4926 2242.1725 0.0000 0.0000 52272.3781 -109635.6993 300.4101 -161908.0773 -109267.9082 299.0691 -54.2963 -23.5296 760713.8292 11.2028 11.3868 PRESSURE: 3278000 46.435 -26.2116 45.8028 -26.2123 -45.3386 48.6068 45.8029 48.6063 -141.638 GPRESSURE: 3278000 43.0172 -119.509 66.557 112.46 18.4949 16.1498 -6.26893 98.4711 -96.1171 PRESSAVG: 3278000 -19.7333 21.6157 -10.4774 21.6157 4.62289 3.83896 -10.4774 3.83901 4.14483 GPRESSAVG: 3278000 -19.1076 21.0962 -11.1767 21.5406 3.4608 4.22532 -14.1188 3.88295 4.5001 TIMING: 3278000 CPU: 10354.1, 0.00319307/step Wall: 10354.1, 0.00319307/step, 1.52735 hours remaining, 236.878906 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: 3278000 4016.6935 20706.5714 14528.3917 254.0504 -203483.0762 2563.9189 0.0000 0.0000 51949.0000 -109464.4502 298.5516 -161413.4502 -109107.6335 298.9202 -46.8472 -11.5350 759406.8685 -3.6552 -3.7156 PRESSURE: 3278200 41.9739 -77.9213 118.996 -77.9215 -179.778 -23.4227 118.996 -23.4231 -101.102 GPRESSURE: 3278200 130.61 -101.379 113.39 -171.563 -112.339 45.1038 -42.7629 -61.5803 -176.119 PRESSAVG: 3278200 29.1769 5.99051 14.0973 5.99053 29.5681 46.8383 14.0973 46.8382 -18.9896 GPRESSAVG: 3278200 28.5492 3.03616 15.5564 7.23633 30.1532 46.8462 14.2007 45.1879 -19.2927 TIMING: 3278200 CPU: 10354.7, 0.00318822/step Wall: 10354.7, 0.00318822/step, 1.52486 hours remaining, 236.878906 MB of memory in use. ENERGY: 3278200 3986.7413 20455.0338 14417.8357 262.5632 -203520.5912 2476.1585 0.0000 0.0000 52357.1935 -109565.0653 300.8975 -161922.2588 -109193.6540 299.4089 -79.6354 -52.6162 760693.9798 13.2518 13.1366 PRESSURE: 3278400 -41.3553 35.7452 131.003 35.7465 -5.59406 30.9098 131.002 30.9095 109.584 GPRESSURE: 3278400 -13.8995 -43.1318 41.0366 35.7056 40.9992 15.3488 149.45 6.06863 121.481 PRESSAVG: 3278400 3.62662 -5.96077 36.4757 -5.9608 29.2891 49.2619 36.4757 49.2619 17.0253 GPRESSAVG: 3278400 4.28375 -2.6542 36.772 -8.75309 27.9464 48.255 36.6447 51.8895 17.5196 TIMING: 3278400 CPU: 10355.4, 0.00316075/step Wall: 10355.4, 0.00316075/step, 1.51154 hours remaining, 236.878906 MB of memory in use. ENERGY: 3278400 4014.0619 20482.2631 14381.7446 230.1362 -203672.3124 2710.4265 0.0000 0.0000 52116.6988 -109736.9813 299.5154 -161853.6800 -109368.8546 299.0501 20.8782 49.5270 759413.1471 16.6470 16.5833 PRESSURE: 3278600 -70.0934 -151.422 174.004 -151.422 -189.519 -133.274 174.004 -133.275 -135.752 GPRESSURE: 3278600 -62.4504 -123.438 131.744 -118.127 -105.595 -93.8912 283.024 -42.2419 -130.298 PRESSAVG: 3278600 -13.5836 20.2895 89.9671 20.2894 -12.1028 8.56835 89.9671 8.56837 -7.28345 GPRESSAVG: 3278600 -13.22 20.6716 88.7464 21.2062 -11.486 10.5946 89.4862 8.00663 -7.9035 TIMING: 3278600 CPU: 10356, 0.00318514/step Wall: 10356, 0.00318515/step, 1.52303 hours remaining, 236.878906 MB of memory in use. ENERGY: 3278600 3943.0247 20552.0452 14474.0634 253.4883 -203501.7556 2614.6357 0.0000 0.0000 51945.1580 -109719.3404 298.5295 -161664.4984 -109358.8116 298.6974 -131.7881 -99.4478 760317.9359 -10.9899 -10.8698 PRESSURE: 3278800 -60.8192 -229.921 -191.283 -229.92 -57.2631 40.1209 -191.283 40.1224 -177.864 GPRESSURE: 3278800 -121.697 -277.085 -145.506 -201.908 -79.4043 -27.9032 -194.204 -99.1371 -10.7045 PRESSAVG: 3278800 -20.9969 17.8493 28.8675 17.8493 28.743 3.79883 28.8674 3.79889 0.565978 GPRESSAVG: 3278800 -22.5343 17.0181 29.6937 18.0645 30.1477 3.07193 29.7798 4.10832 0.808829 TIMING: 3278800 CPU: 10356.6, 0.0031775/step Wall: 10356.6, 0.0031775/step, 1.5192 hours remaining, 236.878906 MB of memory in use. ENERGY: 3278800 4038.6044 20738.7358 14377.2837 259.5030 -203949.4603 2770.4266 0.0000 0.0000 51829.5621 -109935.3447 297.8652 -161764.9069 -109576.8642 298.8911 -98.6488 -70.6020 759849.5600 2.7707 2.8074 PRESSURE: 3279000 121.529 15.9882 -122.684 15.9882 -82.47 109.237 -122.683 109.236 780.738 GPRESSURE: 3279000 247.673 8.5094 -117.674 -53.9353 -77.4266 178.003 -147.702 164.874 738.039 PRESSAVG: 3279000 6.61617 32.3512 30.0787 32.3512 -16.4786 23.9061 30.0787 23.906 -11.5762 GPRESSAVG: 3279000 7.24754 31.8041 30.4042 32.0726 -17.6861 22.2191 30.4523 23.6175 -11.0481 TIMING: 3279000 CPU: 10357.3, 0.00318264/step Wall: 10357.3, 0.00318264/step, 1.52148 hours remaining, 236.878906 MB of memory in use. ENERGY: 3279000 3975.3822 20670.4113 14357.4519 238.9064 -203678.5452 2679.3061 0.0000 0.0000 51811.7872 -109945.3001 297.7631 -161757.0873 -109585.1289 298.3126 273.2659 302.7618 759345.9894 -7.1462 -7.1622 PRESSURE: 3279200 -288.047 188.387 -41.7177 188.387 123.028 29.1541 -41.7182 29.1531 134.327 GPRESSURE: 3279200 -223.941 154.013 -38.7325 144.028 98.2709 35.0878 -1.4164 -16.0396 192.433 PRESSAVG: 3279200 -10.6984 29.7092 -19.4085 29.7092 -7.40026 26.7532 -19.4086 26.7533 16.5418 GPRESSAVG: 3279200 -10.3634 29.1478 -19.1751 30.4052 -7.07211 29.4458 -20.4533 26.4093 15.496 TIMING: 3279200 CPU: 10357.9, 0.00317337/step Wall: 10357.9, 0.00317337/step, 1.51687 hours remaining, 236.878906 MB of memory in use. ENERGY: 3279200 3961.1629 20598.1801 14369.1435 256.0767 -203428.6473 2522.0035 0.0000 0.0000 51861.4845 -109860.5961 298.0487 -161722.0806 -109500.3108 298.5691 -10.2305 22.2543 760423.0070 -0.5190 -0.6465 PRESSURE: 3279400 198.57 251.347 41.7899 251.347 -183.711 44.8463 41.7897 44.8449 -5.30681 GPRESSURE: 3279400 193.3 201.463 -21.894 218.259 -71.3639 75.6395 105.01 73.5345 -19.9513 PRESSAVG: 3279400 64.4374 20.4551 2.26042 20.4551 -14.8261 17.9992 2.26043 17.9992 6.60546 GPRESSAVG: 3279400 64.6949 21.3035 1.24727 19.6045 -15.2768 16.7707 5.33002 16.6616 6.67801 TIMING: 3279400 CPU: 10358.5, 0.00317838/step Wall: 10358.5, 0.00317838/step, 1.51909 hours remaining, 236.878906 MB of memory in use. ENERGY: 3279400 4047.2087 20734.3758 14412.6852 251.6451 -203679.3564 2533.6925 0.0000 0.0000 52279.5298 -109420.2193 300.4512 -161699.7491 -109055.5217 299.5942 3.1840 33.9950 761085.3003 18.7389 18.6987 PRESSURE: 3279600 -274.189 198.763 40.3666 198.762 -120.505 85.4052 40.3671 85.4052 -435.04 GPRESSURE: 3279600 -234.92 179.516 -50.1405 99.0905 -129.461 70.516 -92.2427 200.647 -389.414 PRESSAVG: 3279600 -19.108 27.4011 -48.9697 27.4011 10.6587 12.6415 -48.9698 12.6415 -3.57912 GPRESSAVG: 3279600 -20.3423 29.4852 -48.6883 26.2062 10.9078 13.9969 -50.5685 14.4446 -2.89095 TIMING: 3279600 CPU: 10359.2, 0.0031777/step Wall: 10359.2, 0.0031777/step, 1.51859 hours remaining, 236.878906 MB of memory in use. ENERGY: 3279600 4002.3027 20660.7177 14397.2011 260.5274 -203283.4495 2247.1607 0.0000 0.0000 52094.7268 -109620.8131 299.3891 -161715.5399 -109253.9805 299.3181 -276.5780 -251.2649 762754.9099 -4.0095 -4.1085 PRESSURE: 3279800 238.298 44.1062 248.285 44.1077 22.5449 -24.646 248.285 -24.6453 41.9562 GPRESSURE: 3279800 269.642 49.3147 134.176 152.837 58.8951 -46.8406 164.2 -48.528 45.3485 PRESSAVG: 3279800 -40.6656 27.6601 -12.6693 27.6601 39.8346 43.2874 -12.6693 43.2874 5.04981 GPRESSAVG: 3279800 -39.5187 24.0228 -13.5894 29.4449 40.13 42.0382 -15.2044 42.6384 3.77307 TIMING: 3279800 CPU: 10359.8, 0.00318262/step Wall: 10359.8, 0.00318262/step, 1.52076 hours remaining, 236.878906 MB of memory in use. ENERGY: 3279800 4065.7523 20700.5655 14402.5883 243.3270 -203778.5015 2856.8683 0.0000 0.0000 51995.4153 -109513.9848 298.8184 -161509.4001 -109152.0921 299.0420 100.9330 124.6285 760887.3433 1.4063 1.4614 PRESSURE: 3280000 -211.662 -16.1961 111.798 -16.1965 -123.573 217.049 111.798 217.049 -407.754 GPRESSURE: 3280000 -169.084 -11.9755 150.488 -76.667 -68.8124 272.676 90.2384 41.5344 -421.715 PRESSAVG: 3280000 -5.9191 -53.2159 37.2306 -53.2159 25.8037 -18.7711 37.2307 -18.7711 35.6421 GPRESSAVG: 3280000 -5.29147 -50.7166 38.146 -54.2686 25.9309 -17.4631 40.3219 -19.2065 35.7093 TIMING: 3280000 CPU: 10360.4, 0.00316882/step Wall: 10360.4, 0.00316882/step, 1.51399 hours remaining, 236.878906 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: 3280000 4048.1455 20561.0651 14391.2918 242.3906 -203283.6845 2545.5802 0.0000 0.0000 51896.4498 -109598.7614 298.2496 -161495.2112 -109240.9376 298.7924 -247.6630 -219.8704 762885.4294 18.5089 18.7829 PRESSURE: 3280200 -23.5889 -139.639 -68.1676 -139.638 -85.2033 -117.061 -68.1671 -117.061 205.085 GPRESSURE: 3280200 98.9955 -39.3893 -60.7698 -133.584 -38.2543 -168.25 -8.4557 -34.1924 116.23 PRESSAVG: 3280200 4.29486 -46.8446 -1.55799 -46.8446 -21.1512 28.0964 -1.55798 28.0964 7.55886 GPRESSAVG: 3280200 4.75708 -47.8963 -2.02449 -47.0186 -20.4806 25.741 -2.5742 29.5025 6.45142 TIMING: 3280200 CPU: 10361.1, 0.00317272/step Wall: 10361.1, 0.00317272/step, 1.51568 hours remaining, 236.878906 MB of memory in use. ENERGY: 3280200 3972.9637 20700.3604 14343.5858 242.7562 -203638.5102 2786.6348 0.0000 0.0000 52070.9028 -109521.3063 299.2522 -161592.2092 -109147.5224 298.9020 32.0977 58.9905 761802.7330 -3.0992 -3.0907 LDB: ============= START OF LOAD BALANCING ============== 10373.6 LDB: ============== END OF LOAD BALANCING =============== 10373.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10373.6 LDB: ============= START OF LOAD BALANCING ============== 10373.9 LDB: Largest compute 7026 load 0.033932 is 17.3% of average load 0.195613 LDB: Average compute 0.004386 is 2.2% of average load 0.195613 LDB: TIME 10373.9 LOAD: AVG 0.195613 MAX 0.219712 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 10373.9 LOAD: AVG 0.195613 MAX 0.219712 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: TIME 10373.9 LOAD: AVG 0.195613 MAX 0.214955 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: ============== END OF LOAD BALANCING =============== 10373.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10373.9 PRESSURE: 3280400 -122.797 318.342 7.73321 318.34 15.6717 -246.368 7.73312 -246.368 105.13 GPRESSURE: 3280400 -108.383 246.934 112.681 263.193 67.7395 -243.296 20.9052 -177.7 111.822 PRESSAVG: 3280400 44.1689 4.75844 -16.2631 4.75847 -82.697 -48.7208 -16.2631 -48.7208 -4.37361 GPRESSAVG: 3280400 42.5623 3.78512 -15.7563 5.11444 -83.3257 -48.1058 -15.5991 -48.5441 -2.70581 TIMING: 3280400 CPU: 10361.7, 0.00322955/step Wall: 10361.7, 0.00322954/step, 1.54265 hours remaining, 235.839844 MB of memory in use. ENERGY: 3280400 3904.4031 20578.1233 14425.8451 231.2435 -203598.3797 2755.6760 0.0000 0.0000 52089.6249 -109613.4637 299.3598 -161703.0886 -109241.9024 298.9659 -0.6653 23.7260 760963.8867 -14.3006 -14.4897 PRESSURE: 3280600 -135.216 199.468 5.69286 199.468 -249.759 228.97 5.69284 228.969 22.828 GPRESSURE: 3280600 -180.597 185.859 7.02988 195.525 -121.532 210.374 27.3838 26.5073 29.2555 PRESSAVG: 3280600 27.6908 -19.5373 11.0866 -19.5372 -24.5174 -11.0098 11.0866 -11.0098 19.1029 GPRESSAVG: 3280600 28.3549 -19.7126 9.59065 -19.0784 -23.6852 -10.7476 12.8391 -12.6851 17.3759 TIMING: 3280600 CPU: 10362.3, 0.00316026/step Wall: 10362.3, 0.00316026/step, 1.50938 hours remaining, 235.839844 MB of memory in use. ENERGY: 3280600 3924.2463 20645.2448 14476.8976 225.1986 -203385.0354 2508.9110 0.0000 0.0000 51962.8594 -109641.6777 298.6313 -161604.5371 -109282.1465 299.1149 -120.7156 -90.9577 760078.4114 7.4254 7.3485 PRESSURE: 3280800 64.8761 -150.379 274.535 -150.379 -221.179 54.6208 274.535 54.6204 -89.5604 GPRESSURE: 3280800 111.916 -185.391 313.523 -26.5653 -233.8 95.0401 38.4257 -9.00988 -46.8126 PRESSAVG: 3280800 -21.345 -12.2449 45.9791 -12.245 14.927 1.30653 45.9792 1.30656 -3.35454 GPRESSAVG: 3280800 -20.7266 -10.4341 46.8051 -12.2256 14.3986 0.983759 43.19 2.00237 -3.83414 TIMING: 3280800 CPU: 10363, 0.00313933/step Wall: 10363, 0.00313933/step, 1.49921 hours remaining, 235.894531 MB of memory in use. ENERGY: 3280800 3987.9914 20617.5159 14509.1406 236.3676 -203596.4232 2745.3330 0.0000 0.0000 52001.7888 -109498.2859 298.8550 -161500.0747 -109142.6858 299.0800 -81.9544 -56.2324 761701.7457 -3.2575 -3.3874 PRESSURE: 3281000 107.337 69.4244 -114.85 69.4241 -64.4821 12.5941 -114.849 12.5941 -9.75163 GPRESSURE: 3281000 140.353 45.2371 -164.663 74.8835 -30.3096 53.3467 47.7572 8.75858 3.39101 PRESSAVG: 3281000 25.0913 -0.808585 -41.3728 -0.808548 2.43654 8.46666 -41.3728 8.46665 27.355 GPRESSAVG: 3281000 24.2781 -2.9288 -40.0963 -1.73426 1.80789 7.55973 -40.2914 9.31982 28.8406 TIMING: 3281000 CPU: 10363.6, 0.00314328/step Wall: 10363.6, 0.00314328/step, 1.50092 hours remaining, 235.882812 MB of memory in use. ENERGY: 3281000 3964.2599 20830.0771 14480.8880 251.3563 -203207.9670 2576.1808 0.0000 0.0000 51683.6761 -109421.5289 297.0268 -161105.2049 -109075.8539 299.0842 11.0344 37.8115 762208.1327 18.2943 18.3088 PRESSURE: 3281200 -224.641 -308.038 -4.6747 -308.037 -192.559 -130.321 -4.67405 -130.322 187.38 GPRESSURE: 3281200 -96.9746 -340.336 28.0222 -205.451 -122.391 -50.3513 -58.7648 -270.76 100.652 PRESSAVG: 3281200 20.5737 -36.3813 2.10919 -36.3813 8.34414 -5.84948 2.10914 -5.84947 -2.41626 GPRESSAVG: 3281200 21.2815 -33.4056 0.693276 -36.5655 8.36963 -5.07049 3.43515 -5.33307 -2.94412 TIMING: 3281200 CPU: 10364.2, 0.00316779/step Wall: 10364.2, 0.00316779/step, 1.51244 hours remaining, 235.882812 MB of memory in use. ENERGY: 3281200 4069.1013 20493.6549 14412.7834 258.7225 -203487.2683 2792.6455 0.0000 0.0000 52130.4427 -109329.9179 299.5944 -161460.3606 -108974.4808 299.3058 -76.6064 -39.5712 762174.9444 8.8339 8.9023 PRESSURE: 3281400 38.1285 14.4389 215.135 14.4389 77.3722 106.942 215.134 106.942 318.653 GPRESSURE: 3281400 101.438 -59.3866 106.682 24.0126 159.453 -3.86484 226.463 118.499 268.42 PRESSAVG: 3281400 -26.6154 -1.27184 8.21672 -1.27186 33.5286 -1.21186 8.21671 -1.21189 -11.6444 GPRESSAVG: 3281400 -27.8136 0.570244 8.57689 0.115909 33.2225 -2.41175 4.39537 -1.46084 -9.82296 TIMING: 3281400 CPU: 10364.9, 0.00315893/step Wall: 10364.9, 0.00315893/step, 1.50804 hours remaining, 236.015625 MB of memory in use. ENERGY: 3281400 3978.1433 20517.0871 14428.2294 257.9464 -203352.0776 2726.5710 0.0000 0.0000 52012.6029 -109431.4975 298.9171 -161444.1004 -109068.4582 298.9519 144.7178 176.4371 761177.0061 -1.5771 -1.4714 PRESSURE: 3281600 -8.80064 100.884 -5.27091 100.885 11.2004 -43.184 -5.27026 -43.1844 27.3649 GPRESSURE: 3281600 70.1476 106.83 55.2141 106.27 -2.54833 -46.5011 53.1373 -104.192 33.8586 PRESSAVG: 3281600 7.3284 28.8158 16.7725 28.8158 -15.5969 8.61 16.7725 8.61011 1.18458 GPRESSAVG: 3281600 7.3444 25.1925 16.981 29.1978 -15.251 10.0845 19.9629 7.88838 -0.200894 TIMING: 3281600 CPU: 10365.5, 0.00317705/step Wall: 10365.5, 0.00317705/step, 1.51651 hours remaining, 236.015625 MB of memory in use. ENERGY: 3281600 4030.8339 20540.3621 14384.7438 238.7131 -203493.2677 2862.3919 0.0000 0.0000 52174.2343 -109261.9885 299.8460 -161436.2228 -108893.0765 299.2523 9.9215 33.8193 763526.6361 -2.3613 -2.7025 PRESSURE: 3281800 -426.741 33.9294 -58.4584 33.9301 -257.762 106.648 -58.4582 106.648 145.06 GPRESSURE: 3281800 -349.114 28.2913 -42.0312 30.4008 -190.241 99.6939 -267.095 -18.9934 79.8348 PRESSAVG: 3281800 114.42 61.6086 -16.3445 61.6086 -79.6166 -32.648 -16.3445 -32.6479 4.58128 GPRESSAVG: 3281800 112.555 63.9505 -15.5453 59.0263 -78.1574 -34.4634 -17.9325 -32.2763 5.17836 TIMING: 3281800 CPU: 10366.1, 0.00317228/step Wall: 10366.1, 0.00317228/step, 1.51406 hours remaining, 236.015625 MB of memory in use. ENERGY: 3281800 4033.2303 20642.3766 14324.6942 230.1999 -203123.5250 2598.1726 0.0000 0.0000 52100.9526 -109193.8987 299.4249 -161294.8514 -108832.4484 299.5633 -179.8143 -153.1736 761211.1479 13.1281 13.1920 PRESSURE: 3282000 133.754 -48.3499 103.833 -48.3509 137.948 -3.29432 103.833 -3.29575 -381.694 GPRESSURE: 3282000 82.2093 -70.1418 29.9515 -61.0432 193.971 54.8876 171.849 -65.0879 -303.973 PRESSAVG: 3282000 42.9225 7.42574 -27.4733 7.42577 -51.1023 17.6173 -27.4733 17.6173 10.6484 GPRESSAVG: 3282000 44.1656 6.02497 -27.9309 8.65141 -52.5646 18.7853 -26.363 17.9221 10.6977 TIMING: 3282000 CPU: 10366.8, 0.00317303/step Wall: 10366.8, 0.00317303/step, 1.51424 hours remaining, 236.003906 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: 3282000 3989.8600 20630.6697 14432.5053 259.8262 -203415.4312 2589.0593 0.0000 0.0000 52309.4672 -109204.0435 300.6232 -161513.5107 -108851.7431 299.8513 -36.6641 -9.2642 762902.9419 0.8229 0.7662 PRESSURE: 3282200 236.028 -62.5378 -229.478 -62.5376 -52.4941 -121.61 -229.478 -121.61 -126.512 GPRESSURE: 3282200 291.108 65.1501 -149.766 38.2487 -81.1687 -172.091 -338.346 -157.063 -73.2596 PRESSAVG: 3282200 -23.2227 35.5412 26.8352 35.5412 26.9104 1.27485 26.8352 1.27482 0.239667 GPRESSAVG: 3282200 -23.9888 35.9853 27.8046 35.5942 26.7444 -0.624909 23.5213 2.04483 1.20811 TIMING: 3282200 CPU: 10367.4, 0.00315309/step Wall: 10367.4, 0.00315309/step, 1.50455 hours remaining, 236.003906 MB of memory in use. ENERGY: 3282200 3965.6267 20436.8708 14379.4710 249.3829 -203679.5370 2969.6547 0.0000 0.0000 52212.9924 -109465.5385 300.0688 -161678.5310 -109095.7979 299.3760 19.0074 45.5599 762685.5323 1.3091 1.3212 PRESSURE: 3282400 301.831 -176.988 88.6515 -176.989 80.3379 -124.127 88.6522 -124.127 209.445 GPRESSURE: 3282400 318.388 -55.8078 34.2847 -153.014 83.5715 -31.5546 75.866 -101.778 276.121 PRESSAVG: 3282400 23.6197 -3.36073 -27.3945 -3.36078 10.803 18.2787 -27.3945 18.2786 1.4493 GPRESSAVG: 3282400 24.2766 -1.84019 -27.4842 -3.67841 10.7631 18.4238 -26.4896 19.8705 1.15337 TIMING: 3282400 CPU: 10368, 0.00314209/step Wall: 10368, 0.00314209/step, 1.49913 hours remaining, 236.003906 MB of memory in use. ENERGY: 3282400 3941.6142 20582.7530 14430.1363 231.5154 -203621.5643 3004.0233 0.0000 0.0000 52096.5187 -109335.0034 299.3994 -161431.5221 -108971.4152 299.5630 197.2047 226.0267 763291.7763 11.9574 12.0644 PRESSURE: 3282600 170.539 79.602 50.0116 79.6021 261.526 21.0449 50.0123 21.0447 106.778 GPRESSURE: 3282600 260.872 63.2817 -46.7576 13.2379 284.319 -2.99697 -24.5767 15.8961 72.0013 PRESSAVG: 3282600 17.7053 -30.1582 -11.4879 -30.1581 -2.38182 33.4048 -11.4879 33.4047 7.29888 GPRESSAVG: 3282600 17.6863 -33.2548 -12.982 -29.7496 -0.984031 35.9602 -11.8626 31.588 5.62948 TIMING: 3282600 CPU: 10368.7, 0.0031405/step Wall: 10368.7, 0.0031405/step, 1.49819 hours remaining, 236.003906 MB of memory in use. ENERGY: 3282600 4012.6683 20470.0352 14423.6913 236.9354 -203747.7525 2967.0163 0.0000 0.0000 52088.2455 -109549.1605 299.3519 -161637.4060 -109193.0599 299.2243 179.6142 205.7309 762342.2882 7.5408 7.4439 PRESSURE: 3282800 272.51 9.28181 -0.252569 9.28268 46.7223 51.3276 -0.252633 51.3283 91.1671 GPRESSURE: 3282800 283.986 -2.94457 71.9846 100.335 87.8362 50.9011 70.2661 -50.3994 106.883 PRESSAVG: 3282800 8.68712 -46.9958 71.3598 -46.9959 25.26 15.1285 71.3598 15.1285 33.8907 GPRESSAVG: 3282800 8.07838 -45.6695 71.5512 -46.6458 24.2164 14.7542 71.7833 15.51 35.4154 TIMING: 3282800 CPU: 10369.3, 0.00316894/step Wall: 10369.3, 0.00316894/step, 1.51158 hours remaining, 236.015625 MB of memory in use. ENERGY: 3282800 4006.1934 20593.1975 14419.8724 243.9593 -203669.6942 2892.1435 0.0000 0.0000 52238.4599 -109275.8683 300.2151 -161514.3282 -108907.0416 299.0890 136.7999 159.5684 763764.4815 22.6126 22.5700 PRESSURE: 3283000 -411.712 -100.162 -207.799 -100.163 -102.62 -94.33 -207.8 -94.3303 33.7922 GPRESSURE: 3283000 -316.698 -183.791 -325.407 -141.787 -143.392 -65.6517 -232.845 -13.2614 59.2839 PRESSAVG: 3283000 -23.6963 17.5508 39.9913 17.5508 23.0213 1.8959 39.9912 1.89584 -17.2163 GPRESSAVG: 3283000 -24.5474 17.2123 39.5045 16.139 22.4581 0.51045 40.2398 1.47384 -15.6756 TIMING: 3283000 CPU: 10369.9, 0.00314848/step Wall: 10369.9, 0.00314848/step, 1.50165 hours remaining, 236.015625 MB of memory in use. ENERGY: 3283000 4022.2814 20719.1883 14356.5134 251.3857 -203608.1326 2715.2496 0.0000 0.0000 52308.2459 -109235.2683 300.6162 -161543.5141 -108875.6567 300.0519 -160.1798 -133.6021 762558.9723 -5.9638 -5.9216 PRESSURE: 3283200 -106.887 -142.079 110.578 -142.078 -65.1203 173.505 110.578 173.505 133.083 GPRESSURE: 3283200 3.31144 -45.9424 82.327 -129.991 -91.3744 123.995 127.427 232.889 146.464 PRESSAVG: 3283200 19.3832 -16.3927 -26.2698 -16.3927 -76.146 47.9889 -26.2698 47.9889 -8.99274 GPRESSAVG: 3283200 20.8364 -16.5117 -26.2797 -15.376 -75.3215 47.6956 -25.2196 48.8303 -10.8813 TIMING: 3283200 CPU: 10370.6, 0.00315822/step Wall: 10370.6, 0.00315822/step, 1.50612 hours remaining, 236.015625 MB of memory in use. ENERGY: 3283200 3994.1318 20525.7796 14408.9563 259.7428 -203637.5726 2945.5669 0.0000 0.0000 52218.4901 -109284.9050 300.1004 -161503.3951 -108931.3998 299.5070 -12.9748 19.4669 762583.6079 -21.9185 -21.7888 PRESSURE: 3283400 -48.6557 -109.078 -202.712 -109.078 -263.633 94.9789 -202.712 94.9786 228.528 GPRESSURE: 3283400 -34.0784 -77.2261 -236.874 -146.005 -149.276 15.7247 -127.701 92.6272 200.963 PRESSAVG: 3283400 20.0222 -49.0892 21.8386 -49.0892 -1.38452 55.0709 21.8385 55.0708 -9.66143 GPRESSAVG: 3283400 19.5317 -48.1385 23.0845 -48.5004 -0.671776 55.0864 19.7426 55.0945 -9.87251 TIMING: 3283400 CPU: 10371.2, 0.00315235/step Wall: 10371.2, 0.00315235/step, 1.50315 hours remaining, 236.015625 MB of memory in use. ENERGY: 3283400 4054.2900 20324.1971 14451.3588 262.3732 -203308.0834 2720.8077 0.0000 0.0000 52045.3025 -109449.7541 299.1051 -161495.0566 -109092.0095 299.0372 -27.9201 5.8696 762561.4890 2.9921 2.9958 PRESSURE: 3283600 -54.5608 39.569 69.3455 39.5696 4.08354 308.25 69.3458 308.251 -6.26796 GPRESSURE: 3283600 -20.181 44.3283 8.7614 -23.5714 24.148 168.564 228.803 173.079 44.3771 PRESSAVG: 3283600 -0.522811 -17.1068 -4.09477 -17.1069 7.3598 2.83921 -4.09479 2.83929 -14.3141 GPRESSAVG: 3283600 -1.02782 -16.2914 -5.45703 -17.5505 7.66169 2.99119 -3.373 0.7026 -14.3105 TIMING: 3283600 CPU: 10371.8, 0.00313308/step Wall: 10371.8, 0.00313308/step, 1.49378 hours remaining, 236.015625 MB of memory in use. ENERGY: 3283600 3995.5101 20475.2960 14421.6271 241.7457 -203723.2070 2857.8595 0.0000 0.0000 52415.9312 -109315.2373 301.2351 -161731.1685 -108947.0239 299.3600 -18.9151 16.1147 762214.9463 -2.4924 -2.5589 PRESSURE: 3283800 240.866 60.0786 58.3734 60.0789 -388.143 16.0122 58.3734 16.0128 -216.85 GPRESSURE: 3283800 282.132 32.6652 26.5517 -18.4063 -282.75 4.10633 73.9988 106.624 -295.271 PRESSAVG: 3283800 20.6443 28.0206 -9.74825 28.0206 2.09997 -1.74278 -9.74823 -1.74279 11.5176 GPRESSAVG: 3283800 22.063 27.8719 -8.61178 27.8698 1.93139 -2.1754 -9.44384 -1.9223 9.46229 TIMING: 3283800 CPU: 10372.4, 0.00314979/step Wall: 10372.4, 0.00314979/step, 1.50157 hours remaining, 236.015625 MB of memory in use. ENERGY: 3283800 3957.2144 20487.6869 14449.9658 236.2345 -203390.1055 2726.6021 0.0000 0.0000 52137.6579 -109394.7439 299.6358 -161532.4018 -109028.3065 299.4947 -121.3758 -98.6294 761999.6174 11.4206 11.1522 PRESSURE: 3284000 -188.637 -19.609 24.7479 -19.6084 -55.6053 -152.797 24.7472 -152.797 130.007 GPRESSURE: 3284000 -268.131 -20.0449 11.3106 31.2399 44.7396 -152.614 0.109005 -79.2824 166.494 PRESSAVG: 3284000 1.05059 31.0199 23.6199 31.0199 36.4214 -38.6961 23.6199 -38.6962 -16.9109 GPRESSAVG: 3284000 -0.240758 30.5633 23.4506 29.7743 36.5797 -38.5853 23.7134 -35.7848 -15.3543 TIMING: 3284000 CPU: 10373.1, 0.00316659/step Wall: 10373.1, 0.00316659/step, 1.50941 hours remaining, 236.015625 MB of memory 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 3989.4474 20512.2362 14375.7532 251.0614 -203602.5907 2733.8472 0.0000 0.0000 52301.5397 -109438.7056 300.5777 -161740.2453 -109069.1963 299.4545 -38.0785 -18.9656 761672.4628 6.8537 6.9949 PRESSURE: 3284200 -14.2413 124.395 122.878 124.395 -290.758 261.126 122.878 261.127 -136.174 GPRESSURE: 3284200 37.1812 104.3 180.017 130.949 -246.299 201.544 -47.7915 187.308 -136.948 PRESSAVG: 3284200 35.2117 -41.5249 44.1579 -41.5249 -18.3323 -57.9198 44.1578 -57.9199 4.53394 GPRESSAVG: 3284200 36.8073 -41.5106 44.88 -38.7557 -18.8251 -57.1075 44.016 -58.3599 4.33526 TIMING: 3284200 CPU: 10373.7, 0.00316071/step Wall: 10373.7, 0.00316071/step, 1.50643 hours remaining, 236.015625 MB of memory in use. ENERGY: 3284200 3952.9548 20710.4922 14415.7345 235.8064 -203387.3353 2583.7139 0.0000 0.0000 52339.3393 -109149.2943 300.7949 -161488.6335 -108786.5117 299.9373 -147.0579 -115.3552 761133.7922 7.1378 7.4391 LDB: ============= START OF LOAD BALANCING ============== 10386.2 LDB: ============== END OF LOAD BALANCING =============== 10386.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.2 LDB: ============= START OF LOAD BALANCING ============== 10386.6 LDB: Largest compute 7026 load 0.033747 is 17.3% of average load 0.195609 LDB: Average compute 0.004406 is 2.3% of average load 0.195609 LDB: TIME 10386.6 LOAD: AVG 0.195609 MAX 0.212773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 10386.6 LOAD: AVG 0.195609 MAX 0.212773 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: TIME 10386.6 LOAD: AVG 0.195609 MAX 0.212773 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: ============== END OF LOAD BALANCING =============== 10386.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10386.6 PRESSURE: 3284400 236.506 175.453 -126.861 175.454 68.1838 20.5246 -126.86 20.524 -137.057 GPRESSURE: 3284400 281.42 46.9405 -91.679 101.621 109.034 -26.8445 -5.71367 23.9211 -139.018 PRESSAVG: 3284400 35.5032 -30.911 59.4099 -30.911 33.5108 7.47331 59.4099 7.47328 -27.7785 GPRESSAVG: 3284400 35.798 -33.1672 59.9208 -32.2265 32.8404 6.77577 59.5304 6.74368 -27.7326 TIMING: 3284400 CPU: 10374.4, 0.00324926/step Wall: 10374.4, 0.00324926/step, 1.54845 hours remaining, 234.371094 MB of memory in use. ENERGY: 3284400 3997.2631 20471.0516 14400.3299 268.9477 -203392.1303 2601.6537 0.0000 0.0000 52449.6201 -109203.2642 301.4287 -161652.8843 -108839.9581 300.4217 55.8776 83.8120 759348.0352 13.7451 13.6353 PRESSURE: 3284600 337.853 -46.9324 60.6096 -46.9318 136.835 -238.964 60.6097 -238.964 -113.33 GPRESSURE: 3284600 372.815 -160.495 54.3037 -8.40015 194.449 -222.794 71.6717 -193.525 -112.761 PRESSAVG: 3284600 -53.972 3.52813 -0.916471 3.52817 11.4773 4.25091 -0.916533 4.2509 10.9514 GPRESSAVG: 3284600 -53.7649 4.97319 -2.00745 2.6696 11.7944 4.82295 2.06695 4.93156 10.7911 TIMING: 3284600 CPU: 10375, 0.00315329/step Wall: 10375, 0.00315329/step, 1.50254 hours remaining, 234.371094 MB of memory in use. ENERGY: 3284600 3969.6540 20585.6404 14470.8600 241.5414 -203185.6353 2506.3805 0.0000 0.0000 52079.1534 -109332.4056 299.2996 -161411.5590 -108976.0733 299.5061 120.4528 151.5010 760992.6931 -10.5144 -10.3931 PRESSURE: 3284800 -277.626 -68.0497 -87.646 -68.0499 -27.292 -120.949 -87.6468 -120.948 187.667 GPRESSURE: 3284800 -215.369 120.562 -92.3749 -102.515 10.5401 -154.362 -259.508 -14.3926 170.497 PRESSAVG: 3284800 -16.497 9.04464 15.1189 9.04471 8.39132 6.48675 15.1188 6.48681 -6.48213 GPRESSAVG: 3284800 -17.2224 8.57558 14.7548 10.662 8.821 7.08763 13.5209 3.48969 -5.83449 TIMING: 3284800 CPU: 10375.6, 0.00314741/step Wall: 10375.6, 0.00314741/step, 1.49956 hours remaining, 234.371094 MB of memory in use. ENERGY: 3284800 4100.3864 20736.4256 14416.5649 244.0570 -203202.7616 2539.8631 0.0000 0.0000 51961.7955 -109203.6691 298.6252 -161165.4646 -108847.6810 299.7755 -39.0835 -11.4441 760767.3394 -4.8626 -4.7453 PRESSURE: 3285000 151.615 90.3852 93.1331 90.3856 -134.039 -67.8908 93.1329 -67.8893 1.53213 GPRESSURE: 3285000 163.944 110.051 34.0249 164.787 -59.2577 27.3179 152.829 -38.4466 9.19815 PRESSAVG: 3285000 -10.3477 -1.39607 20.8313 -1.39601 63.4635 26.5503 20.8314 26.5503 -13.1935 GPRESSAVG: 3285000 -9.92491 0.418748 20.6675 -1.73807 63.7554 24.9399 18.3419 28.7954 -13.1075 TIMING: 3285000 CPU: 10376.3, 0.00315982/step Wall: 10376.3, 0.00315982/step, 1.5053 hours remaining, 234.371094 MB of memory in use. ENERGY: 3285000 3967.8861 20529.8774 14449.4977 256.8748 -203529.0074 2872.1356 0.0000 0.0000 52324.7463 -109127.9896 300.7110 -161452.7358 -108766.5711 300.4049 6.3694 37.9615 761588.1898 13.3074 13.5743 PRESSURE: 3285200 -74.4378 -154.162 -17.383 -154.162 -138.243 -171.254 -17.3825 -171.253 406.246 GPRESSURE: 3285200 -104.086 -205.61 -24.1987 -79.0034 -153.848 -143.838 54.4442 -70.8793 518.317 PRESSAVG: 3285200 1.14768 12.9725 -18.1352 12.9725 -39.3565 6.56345 -18.1352 6.56349 18.3217 GPRESSAVG: 3285200 -0.749337 13.0459 -18.2609 14.4447 -39.6405 8.33783 -15.8991 5.40728 19.0139 TIMING: 3285200 CPU: 10376.9, 0.00317334/step Wall: 10376.9, 0.00317334/step, 1.51157 hours remaining, 234.371094 MB of memory in use. ENERGY: 3285200 4006.7985 20571.1525 14500.1496 260.8616 -203396.3892 2973.0758 0.0000 0.0000 52035.7190 -109048.6321 299.0500 -161084.3511 -108701.9179 299.7837 64.5217 86.7943 761760.6002 -6.6290 -7.1253 PRESSURE: 3285400 37.1956 92.6805 -134.385 92.6801 -74.5 -146.905 -134.385 -146.906 276.636 GPRESSURE: 3285400 9.86885 70.7543 -137.302 124.531 5.97368 -238.306 19.9474 -139.602 317.72 PRESSAVG: 3285400 27.7442 24.1757 -39.5189 24.1757 -19.0303 -41.466 -39.5189 -41.466 -1.79852 GPRESSAVG: 3285400 28.8819 21.9552 -39.7029 24.211 -19.7522 -43.0875 -38.5295 -42.9094 -2.03595 TIMING: 3285400 CPU: 10377.5, 0.00316357/step Wall: 10377.5, 0.00316357/step, 1.50674 hours remaining, 234.371094 MB of memory in use. ENERGY: 3285400 3949.3319 20569.9711 14334.9523 235.0863 -203148.6122 2487.1242 0.0000 0.0000 52062.5541 -109509.5923 299.2042 -161572.1464 -109140.9444 299.5773 79.7770 111.1874 763376.2048 2.3051 2.3646 PRESSURE: 3285600 -26.148 11.6591 231.777 11.6597 -498.892 -207.774 231.778 -207.774 -180.05 GPRESSURE: 3285600 11.4693 -52.4245 207.094 99.5699 -477.777 -262.187 170.251 -117.256 -134.379 PRESSAVG: 3285600 36.9103 18.9695 -10.6988 18.9695 -8.65285 4.02627 -10.6988 4.02622 11.6937 GPRESSAVG: 3285600 36.304 21.287 -10.1135 15.4359 -8.4548 5.96585 -12.0893 4.96037 12.4646 TIMING: 3285600 CPU: 10378.1, 0.00315294/step Wall: 10378.1, 0.00315294/step, 1.5015 hours remaining, 234.371094 MB of memory in use. ENERGY: 3285600 3969.4943 20635.6769 14397.2327 250.7986 -203212.4722 2366.6321 0.0000 0.0000 52146.4119 -109446.2257 299.6861 -161592.6376 -109079.7060 299.2559 -235.0299 -200.2289 763525.3291 13.3170 13.4380 PRESSURE: 3285800 145.111 -233.635 83.826 -233.635 -66.4502 1.55135 83.8264 1.5503 406.427 GPRESSURE: 3285800 167.599 -249.07 114.072 -119.504 13.9801 27.7289 169.6 -132.125 402.446 PRESSAVG: 3285800 -20.3111 19.5553 2.02096 19.5553 48.7606 -16.7868 2.02099 -16.7867 23.0927 GPRESSAVG: 3285800 -18.6728 19.6181 1.69592 20.9609 48.4991 -17.6184 1.77303 -15.7403 22.0884 TIMING: 3285800 CPU: 10378.8, 0.00313814/step Wall: 10378.8, 0.00313814/step, 1.49428 hours remaining, 234.371094 MB of memory in use. ENERGY: 3285800 3940.4518 20618.6105 14418.6710 225.9153 -203698.5154 2972.0586 0.0000 0.0000 52139.8097 -109382.9985 299.6482 -161522.8083 -109015.4960 299.6431 161.6959 194.6750 760273.7792 17.1807 17.3049 PRESSURE: 3286000 -50.6612 -43.7401 178.224 -43.7403 -16.7879 -31.9885 178.224 -31.99 -221.641 GPRESSURE: 3286000 -51.8063 -123.837 125.469 -13.597 43.3392 28.2669 223.248 -49.5588 -183.578 PRESSAVG: 3286000 38.1868 -13.3843 80.8114 -13.3843 -39.199 -45.5237 80.8114 -45.5236 -1.71529 GPRESSAVG: 3286000 37.9909 -15.2186 80.6467 -12.6414 -38.4549 -46.7457 81.0658 -45.0095 -2.34249 TIMING: 3286000 CPU: 10379.4, 0.00314477/step Wall: 10379.4, 0.00314477/step, 1.49726 hours remaining, 234.371094 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: 3286000 4017.0331 20571.4813 14377.5093 272.2083 -203405.8800 2780.3678 0.0000 0.0000 51926.2794 -109461.0008 298.4210 -161387.2802 -109097.8648 299.5643 -96.3635 -64.0152 761544.7279 -0.9092 -0.9355 PRESSURE: 3286200 286.97 35.6614 330.112 35.6608 180.696 67.4447 330.111 67.4438 -130.986 GPRESSURE: 3286200 324.499 -9.0443 236.132 41.9646 137.6 85.3714 164.675 8.91735 -29.4165 PRESSAVG: 3286200 43.6595 2.33574 0.724966 2.33569 -5.83956 -25.3633 0.725034 -25.3632 1.97291 GPRESSAVG: 3286200 42.6233 2.89837 0.242976 4.07141 -5.66601 -24.9419 -0.181951 -26.1645 2.72333 TIMING: 3286200 CPU: 10380, 0.00314125/step Wall: 10380, 0.00314125/step, 1.49541 hours remaining, 234.371094 MB of memory in use. ENERGY: 3286200 3994.3353 20807.1888 14325.3466 232.8803 -203302.0236 2660.7199 0.0000 0.0000 51769.7555 -109511.7971 297.5215 -161281.5526 -109153.7208 299.6431 112.2266 144.2274 760999.3509 13.2643 13.2269 PRESSURE: 3286400 -189.298 45.4256 27.8185 45.4256 -284.718 136.487 27.8191 136.487 19.2201 GPRESSURE: 3286400 -189.812 33.3851 74.0331 12.6898 -223.404 208.823 64.4185 99.6976 38.2874 PRESSAVG: 3286400 4.63647 40.7736 5.12554 40.7737 10.4785 -32.4664 5.12555 -32.4665 3.65064 GPRESSAVG: 3286400 4.98889 42.0721 6.11527 37.2093 9.42243 -32.393 4.81115 -30.722 4.4195 TIMING: 3286400 CPU: 10380.7, 0.00315457/step Wall: 10380.7, 0.00315457/step, 1.50158 hours remaining, 234.371094 MB of memory in use. ENERGY: 3286400 3945.7079 20598.0330 14367.0727 243.2306 -203121.0578 2411.3066 0.0000 0.0000 52058.2275 -109497.4795 299.1793 -161555.7069 -109126.8458 299.1891 -151.5987 -124.9762 762807.8995 6.2552 6.2769 PRESSURE: 3286600 -144.649 -31.3193 -119.925 -31.319 -260.833 -149.99 -119.925 -149.991 245.593 GPRESSURE: 3286600 -180.827 -69.0266 -120.528 -3.95195 -227.679 -34.0971 -135.019 -135.247 339.565 PRESSAVG: 3286600 -2.52549 -24.6852 -18.3073 -24.6852 -30.0083 12.001 -18.3073 12.001 -9.44135 GPRESSAVG: 3286600 -3.32114 -26.2109 -18.1949 -24.0672 -28.9217 11.6459 -15.5768 9.64363 -10.2631 TIMING: 3286600 CPU: 10381.3, 0.00316807/step Wall: 10381.3, 0.00316807/step, 1.50782 hours remaining, 234.371094 MB of memory in use. ENERGY: 3286600 3961.1197 20547.2418 14407.0701 237.4524 -203103.7798 2492.4814 0.0000 0.0000 51888.1281 -109570.2863 298.2018 -161458.4144 -109210.6203 299.3125 -53.2968 -22.9806 763472.9040 -13.9917 -14.1687 PRESSURE: 3286800 -200.853 -140.02 65.8027 -140.02 -106.244 -82.2942 65.8018 -82.2954 129.176 GPRESSURE: 3286800 -148.03 -190.625 90.8999 -71.5589 -23.1391 -147.779 -27.9019 -94.1936 74.642 PRESSAVG: 3286800 0.361737 16.7368 15.5375 16.7368 -41.068 -13.7898 15.5375 -13.7898 -18.1267 GPRESSAVG: 3286800 1.1075 20.3111 15.2886 16.4604 -42.7679 -14.5838 13.1268 -13.8203 -17.2618 TIMING: 3286800 CPU: 10381.9, 0.00317395/step Wall: 10381.9, 0.00317395/step, 1.51045 hours remaining, 234.371094 MB of memory in use. ENERGY: 3286800 3944.0799 20525.3717 14371.7432 250.7950 -203384.3605 2596.7739 0.0000 0.0000 52051.0897 -109644.5071 299.1383 -161695.5969 -109280.0016 298.8827 -59.3071 -32.1757 761914.2570 -19.6110 -19.6407 PRESSURE: 3287000 75.5211 39.4245 -79.3667 39.4258 196.274 -7.08764 -79.3667 -7.0872 102.111 GPRESSURE: 3287000 83.7042 3.89969 -30.1153 -24.1755 226.066 -80.4169 -152.668 -83.7204 150.382 PRESSAVG: 3287000 9.29949 -34.5361 4.06968 -34.5361 -17.5637 -35.4416 4.06972 -35.4416 -0.242549 GPRESSAVG: 3287000 8.75266 -37.489 4.37203 -31.9125 -15.9418 -36.4058 5.13428 -35.1491 -0.870584 TIMING: 3287000 CPU: 10382.6, 0.0031609/step Wall: 10382.6, 0.00316089/step, 1.50406 hours remaining, 234.371094 MB of memory in use. ENERGY: 3287000 4011.9061 20441.3333 14346.2924 232.8449 -203339.4008 2932.6459 0.0000 0.0000 52020.1192 -109354.2589 298.9603 -161374.3781 -108988.3786 299.2383 124.6356 153.3839 763689.6197 -2.8356 -2.6866 PRESSURE: 3287200 188.352 52.2345 189.121 52.2342 196.724 -337.456 189.12 -337.455 -87.8335 GPRESSURE: 3287200 222.971 -169.655 156.382 31.7569 223.115 -282.483 164.201 -218.604 -72.3984 PRESSAVG: 3287200 -33.7469 44.4705 25.3613 44.4705 8.92339 -17.9436 25.3613 -17.9436 27.8799 GPRESSAVG: 3287200 -32.3605 45.3923 25.7196 43.1044 8.82244 -16.8922 24.5901 -17.4367 27.1307 TIMING: 3287200 CPU: 10383.2, 0.00316462/step Wall: 10383.2, 0.00316462/step, 1.50565 hours remaining, 234.371094 MB of memory in use. ENERGY: 3287200 3884.3641 20529.0958 14374.9708 266.4833 -203391.5043 2912.0716 0.0000 0.0000 52179.0342 -109245.4845 299.8736 -161424.5187 -108884.7487 299.8907 99.0808 124.5625 762176.4432 1.0188 1.1975 PRESSURE: 3287400 -20.9556 88.225 120.954 88.2247 284.467 -92.3051 120.954 -92.3052 368.208 GPRESSURE: 3287400 65.5688 71.3672 105.642 26.8567 301.472 -63.1526 103.537 -16.118 355.492 PRESSAVG: 3287400 -24.5947 -8.74416 31.7721 -8.74415 32.723 -37.6709 31.7721 -37.6709 -16.2493 GPRESSAVG: 3287400 -24.1286 -9.49342 32.4866 -6.46939 32.3826 -35.9874 34.674 -37.5726 -16.2182 TIMING: 3287400 CPU: 10383.8, 0.00316385/step Wall: 10383.8, 0.00316385/step, 1.50511 hours remaining, 234.371094 MB of memory in use. ENERGY: 3287400 3925.1676 20617.5277 14431.0770 226.2595 -203594.8996 2815.0228 0.0000 0.0000 52349.3854 -109230.4595 300.8526 -161579.8449 -108866.3016 299.6526 210.5734 240.8443 763292.1731 -2.7070 -2.6547 PRESSURE: 3287600 -93.8444 293.234 -40.4211 293.234 261.961 -65.6053 -40.4209 -65.6052 -80.0411 GPRESSURE: 3287600 -72.7844 282.81 -88.3052 187.543 307.826 -34.3453 -75.3597 108.361 -60.9308 PRESSAVG: 3287600 -17.4676 12.0557 33.7503 12.0557 16.6364 25.5539 33.7503 25.5539 -8.01823 GPRESSAVG: 3287600 -17.5885 13.355 33.0471 9.40854 16.9503 23.8204 31.8027 24.984 -7.94064 TIMING: 3287600 CPU: 10384.5, 0.00315799/step Wall: 10384.5, 0.00315799/step, 1.50215 hours remaining, 234.371094 MB of memory in use. ENERGY: 3287600 3988.3699 20595.5300 14402.0830 243.7896 -203329.8023 2694.3722 0.0000 0.0000 52237.6577 -109167.9999 300.2105 -161405.6575 -108800.0479 300.3497 29.3586 58.0369 761865.3992 -2.9498 -2.8596 PRESSURE: 3287800 151.699 178.358 -295.878 178.358 269.046 101.192 -295.879 101.192 -224.726 GPRESSURE: 3287800 175.058 183.063 -292.724 235.747 225.892 162.706 -342.767 53.1513 -118.21 PRESSAVG: 3287800 -3.94937 -24.3659 4.1521 -24.3658 2.74911 -20.6444 4.1521 -20.6443 13.2767 GPRESSAVG: 3287800 -3.52207 -26.022 4.24929 -25.047 2.26809 -19.5697 4.86941 -20.9516 13.7164 TIMING: 3287800 CPU: 10385.1, 0.00315541/step Wall: 10385.1, 0.00315541/step, 1.50075 hours remaining, 234.371094 MB of memory in use. ENERGY: 3287800 3972.7241 20522.2058 14432.1243 245.9454 -203336.5211 2799.3846 0.0000 0.0000 52285.7287 -109078.4082 300.4868 -161364.1369 -108710.1276 300.1924 65.3398 94.2468 762616.8869 4.0255 4.1542 PRESSURE: 3288000 -427.099 -119.266 146.474 -119.266 -173.724 108.642 146.474 108.642 135.922 GPRESSURE: 3288000 -305.785 -15.3441 99.7721 -14.4618 -177.732 58.6095 49.1529 149.154 89.6217 PRESSAVG: 3288000 -18.4526 -12.3872 -54.3689 -12.3872 18.3552 -5.63055 -54.3689 -5.63053 21.2864 GPRESSAVG: 3288000 -19.7119 -10.6873 -53.8548 -9.92334 19.5997 -7.16513 -55.3754 -4.41444 21.5211 TIMING: 3288000 CPU: 10385.7, 0.00315551/step Wall: 10385.7, 0.00315551/step, 1.50062 hours remaining, 234.371094 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: 3288000 4021.2703 20735.6323 14410.4497 264.0455 -203088.7848 2277.3280 0.0000 0.0000 52133.4264 -109246.6326 299.6115 -161380.0589 -108884.8028 299.8279 -154.9674 -131.2985 761899.3029 7.0630 7.1363 PRESSURE: 3288200 -215.497 -128.894 -91.9948 -128.894 223.37 266.081 -91.9945 266.081 -29.5767 GPRESSURE: 3288200 -155.781 -144.41 -134.715 -70.2252 175.419 250.548 48.4901 260.516 38.8614 PRESSAVG: 3288200 -28.0862 6.68298 -16.5857 6.68303 27.3209 51.582 -16.5857 51.582 -14.9516 GPRESSAVG: 3288200 -27.9053 6.78016 -18.0741 7.59724 26.9693 53.6392 -15.424 50.3008 -14.8115 TIMING: 3288200 CPU: 10386.4, 0.00315185/step Wall: 10386.4, 0.00315185/step, 1.4987 hours remaining, 234.371094 MB of memory in use. ENERGY: 3288200 3931.0774 20708.9084 14454.1253 263.9243 -203648.1655 2988.3389 0.0000 0.0000 52072.2866 -109229.5046 299.2601 -161301.7912 -108859.6201 300.0315 -7.2347 19.4996 763394.7846 -5.2390 -5.2491 LDB: ============= START OF LOAD BALANCING ============== 10398.9 LDB: ============== END OF LOAD BALANCING =============== 10398.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10398.9 LDB: ============= START OF LOAD BALANCING ============== 10399.2 LDB: Largest compute 7075 load 0.032017 is 16.4% of average load 0.195523 LDB: Average compute 0.004404 is 2.3% of average load 0.195523 LDB: TIME 10399.2 LOAD: AVG 0.195523 MAX 0.213355 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 10399.2 LOAD: AVG 0.195523 MAX 0.213355 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 10399.2 LOAD: AVG 0.195523 MAX 0.213355 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 10399.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10399.2 PRESSURE: 3288400 -280.935 128.71 53.1889 128.71 -135.957 -118.046 53.1883 -118.046 -205.045 GPRESSURE: 3288400 -212.009 -3.95646 -62.1884 40.1341 -121.572 -116.409 57.5572 -136.058 -178.008 PRESSAVG: 3288400 -40.0622 16.0544 -11.0707 16.0545 10.2796 -12.2369 -11.0707 -12.2368 5.52736 GPRESSAVG: 3288400 -39.9216 16.8576 -10.6056 13.1238 10.6384 -14.3746 -10.7032 -11.2711 5.22775 TIMING: 3288400 CPU: 10387, 0.00324355/step Wall: 10387, 0.00324355/step, 1.54213 hours remaining, 237.195312 MB of memory in use. ENERGY: 3288400 4027.7198 20409.1567 14392.3244 242.2132 -203302.0713 2604.7774 0.0000 0.0000 52283.7711 -109342.1087 300.4756 -161625.8798 -108970.5652 299.5942 -207.3122 -170.5294 763341.1626 -8.0851 -8.0185 PRESSURE: 3288600 -227.962 -134.034 211.53 -134.034 -173.668 -117.103 211.532 -117.103 -166.16 GPRESSURE: 3288600 -262.242 -77.616 220.43 -18.9537 -142.74 -89.7315 289.941 -56.3402 -56.6403 PRESSAVG: 3288600 58.5114 -33.4102 25.6769 -33.4102 -48.2267 -64.5144 25.6769 -64.5144 15.3914 GPRESSAVG: 3288600 56.0112 -32.02 25.9472 -32.253 -47.3245 -63.4101 26.3288 -65.3328 16.6781 TIMING: 3288600 CPU: 10387.6, 0.00315928/step Wall: 10387.6, 0.00315928/step, 1.50189 hours remaining, 237.453125 MB of memory in use. ENERGY: 3288600 3990.5040 20617.2444 14404.3315 240.8641 -203297.1404 2615.4840 0.0000 0.0000 52166.7004 -109262.0120 299.8027 -161428.7124 -108903.6350 299.9585 -189.2635 -153.8740 763264.5438 8.5587 8.4549 PRESSURE: 3288800 -195.009 -137.403 329.731 -137.403 -191.416 250.197 329.73 250.197 -304.096 GPRESSURE: 3288800 -142.934 -95.4587 317.463 -129.401 -140.534 178.692 301.127 219.385 -328.677 PRESSAVG: 3288800 44.973 -32.3041 -18.8054 -32.304 -73.782 26.653 -18.8053 26.6531 -27.0719 GPRESSAVG: 3288800 47.4265 -32.3802 -16.8594 -31.702 -73.9936 27.3929 -19.4221 25.5901 -29.7707 TIMING: 3288800 CPU: 10388.3, 0.00316196/step Wall: 10388.3, 0.00316196/step, 1.50299 hours remaining, 237.453125 MB of memory in use. ENERGY: 3288800 3964.9527 20414.4306 14367.5320 244.0638 -203127.6498 2547.2866 0.0000 0.0000 52168.7115 -109420.6725 299.8143 -161589.3841 -109053.3679 299.5019 -230.1736 -204.0481 761636.5880 -18.6270 -18.7793 PRESSURE: 3289000 -285.253 -10.6912 -127.147 -10.6919 -72.2005 90.3928 -127.147 90.3933 -188.099 GPRESSURE: 3289000 -200.414 48.7986 -121.778 -15.2922 -125.08 114.958 -22.9253 41.9592 -140.193 PRESSAVG: 3289000 -10.2058 -30.3374 -28.3784 -30.3373 -27.7824 -2.68985 -28.3785 -2.68983 -17.4564 GPRESSAVG: 3289000 -10.3906 -31.164 -28.3336 -31.1038 -28.8727 -2.27115 -29.4026 -3.60007 -16.2472 TIMING: 3289000 CPU: 10388.9, 0.0031669/step Wall: 10388.9, 0.0031669/step, 1.50516 hours remaining, 237.453125 MB of memory in use. ENERGY: 3289000 4022.2085 20628.1266 14363.3696 251.1498 -203157.2762 2568.3871 0.0000 0.0000 52109.8853 -109214.1492 299.4762 -161324.0345 -108864.0920 299.5085 -181.8507 -155.2288 760600.2259 -18.4815 -18.5035 PRESSURE: 3289200 154.378 86.2669 57.7468 86.2675 -45.4012 120.194 57.7476 120.194 -59.9151 GPRESSURE: 3289200 207.727 76.6401 -22.267 140.883 -39.5702 122.307 97.4734 63.3448 -29.3221 PRESSAVG: 3289200 -68.7671 -39.4318 -2.3129 -39.4318 45.2475 -23.9965 -2.31283 -23.9964 -16.6793 GPRESSAVG: 3289200 -70.9266 -38.9281 -2.39801 -38.3861 45.723 -23.7128 -3.76348 -23.0681 -15.6139 TIMING: 3289200 CPU: 10389.5, 0.00316611/step Wall: 10389.5, 0.00316611/step, 1.5046 hours remaining, 237.453125 MB of memory in use. ENERGY: 3289200 3993.9345 20503.5040 14447.7516 242.6998 -203509.0929 2731.2939 0.0000 0.0000 52473.8199 -109116.0891 301.5678 -161589.9090 -108757.1078 299.9772 16.3538 46.2783 759011.0324 -13.3996 -13.6059 PRESSURE: 3289400 88.7272 91.8994 77.0091 91.8991 145.714 113.357 77.009 113.356 59.9369 GPRESSURE: 3289400 202.34 154.444 159.244 96.8962 118.862 69.8451 -49.705 98.4178 37.3995 PRESSAVG: 3289400 -26.0429 14.6622 -9.28756 14.6622 46.7947 -6.59694 -9.28758 -6.59688 12.0864 GPRESSAVG: 3289400 -25.032 14.1862 -8.79717 13.6933 45.6648 -6.37884 -10.0842 -7.84215 12.1114 TIMING: 3289400 CPU: 10390.2, 0.00315644/step Wall: 10390.2, 0.00315644/step, 1.49983 hours remaining, 237.453125 MB of memory in use. ENERGY: 3289400 3965.3715 20726.0593 14542.8316 242.9523 -203767.7576 2794.9333 0.0000 0.0000 52277.4884 -109218.1212 300.4394 -161495.6096 -108866.3541 300.1670 98.1261 119.5339 759171.1240 10.9461 10.9147 PRESSURE: 3289600 -161.384 -199.698 7.16349 -199.698 -211.137 -69.104 7.16327 -69.1019 64.6199 GPRESSURE: 3289600 -182.26 -150.839 -5.20981 -85.0577 -124.851 -29.04 86.8888 -45.6115 82.2353 PRESSAVG: 3289600 -49.4819 40.297 -18.8563 40.297 66.5548 -45.1144 -18.8564 -45.1144 20.9425 GPRESSAVG: 3289600 -49.0179 40.5781 -21.034 40.859 66.7645 -47.9066 -15.3334 -44.368 19.6036 TIMING: 3289600 CPU: 10390.8, 0.00315951/step Wall: 10390.8, 0.00315951/step, 1.50112 hours remaining, 237.453125 MB of memory in use. ENERGY: 3289600 4007.8880 20524.8110 14436.3207 231.4456 -202918.3556 2450.1410 0.0000 0.0000 52004.3307 -109263.4186 298.8696 -161267.7492 -108886.2283 299.8570 -102.6335 -74.9584 761522.4439 12.6718 12.4501 PRESSURE: 3289800 -58.5906 99.7117 -57.2787 99.7113 231.89 -86.1175 -57.2783 -86.1169 -28.8676 GPRESSURE: 3289800 -25.063 185.204 -32.7078 151.215 283.641 -15.7164 105.251 -136.181 0.980523 PRESSAVG: 3289800 -66.5649 9.0712 52.3963 9.07119 38.9968 -6.27501 52.3963 -6.27506 -2.4928 GPRESSAVG: 3289800 -65.9836 7.85652 53.1765 8.58955 39.3722 -4.64457 50.4335 -4.8659 -3.34104 TIMING: 3289800 CPU: 10391.4, 0.00315207/step Wall: 10391.4, 0.00315207/step, 1.49741 hours remaining, 237.453125 MB of memory in use. ENERGY: 3289800 4025.1755 20663.1378 14408.6302 224.4581 -203144.5028 2708.1466 0.0000 0.0000 52186.6889 -108928.2657 299.9176 -161114.9546 -108569.6072 299.7118 48.1439 86.5194 760901.9524 -10.0203 -9.9842 PRESSURE: 3290000 -307.539 143.084 68.3339 143.085 -319.29 -134.222 68.3341 -134.221 20.8496 GPRESSURE: 3290000 -333.104 40.5532 37.386 71.316 -245.939 -178.518 -0.448782 26.3388 60.0077 PRESSAVG: 3290000 -72.2575 -5.3135 -24.4007 -5.31351 56.0669 -25.2522 -24.4008 -25.2522 -7.02644 GPRESSAVG: 3290000 -73.3555 -3.98931 -25.1039 -6.91201 56.1431 -25.8148 -25.3946 -25.4085 -5.64707 TIMING: 3290000 CPU: 10392.1, 0.00316301/step Wall: 10392.1, 0.00316301/step, 1.50243 hours remaining, 237.453125 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: 3290000 4020.4482 20615.5654 14439.9789 252.4219 -203189.0067 2675.9398 0.0000 0.0000 52105.8230 -109078.8296 299.4529 -161184.6526 -108723.4623 300.3886 -201.9931 -173.0118 762446.0988 -7.7390 -7.6198 PRESSURE: 3290200 -231.289 99.981 29.0431 99.9807 -361.114 28.3511 29.0432 28.35 -493.073 GPRESSURE: 3290200 -133.198 77.151 3.92542 90.4297 -382.819 -18.3996 -94.7266 82.4623 -483.132 PRESSAVG: 3290200 9.8481 14.1372 -23.9031 14.1372 15.4449 -38.6853 -23.903 -38.6853 1.34616 GPRESSAVG: 3290200 10.2394 14.2808 -22.3015 15.0647 14.9776 -39.4473 -23.1719 -38.2018 1.59413 TIMING: 3290200 CPU: 10392.7, 0.00314629/step Wall: 10392.7, 0.00314629/step, 1.49431 hours remaining, 237.453125 MB of memory in use. ENERGY: 3290200 4102.3030 20539.6202 14413.2418 245.5778 -202916.3676 2498.4912 0.0000 0.0000 51961.7161 -109155.4176 298.6247 -161117.1337 -108798.2356 299.6553 -361.8254 -333.0495 762786.6140 8.8797 8.9370 PRESSURE: 3290400 -471.044 19.1538 47.5835 19.1538 -55.1034 -69.9531 47.5837 -69.9517 -486.269 GPRESSURE: 3290400 -424.904 34.6338 67.5671 49.4215 -95.5671 -49.2446 71.8805 -79.0942 -409.07 PRESSAVG: 3290400 -1.36677 -6.13372 -72.2807 -6.13367 21.628 -2.89976 -72.2807 -2.89981 7.07515 GPRESSAVG: 3290400 0.155509 -6.22666 -73.3746 -5.97407 21.1616 -2.33064 -72.5988 -3.92697 6.18957 TIMING: 3290400 CPU: 10393.3, 0.00317274/step Wall: 10393.3, 0.00317274/step, 1.5067 hours remaining, 237.453125 MB of memory in use. ENERGY: 3290400 4048.0875 20575.0080 14397.9224 238.9401 -202757.3640 2228.4322 0.0000 0.0000 52356.2404 -108912.7334 300.8920 -161268.9738 -108541.5012 300.0879 -337.4722 -309.8471 762143.6979 9.1121 9.1689 PRESSURE: 3290600 -52.4213 16.349 110.813 16.3482 36.7806 -64.6773 110.813 -64.6773 255.625 GPRESSURE: 3290600 -95.0586 -22.9689 105.397 76.8891 65.6341 -93.3657 81.1338 30.0675 366.212 PRESSAVG: 3290600 -17.1389 10.7037 -3.11989 10.7037 33.6837 -40.397 -3.1198 -40.397 -16.2224 GPRESSAVG: 3290600 -17.3112 10.5267 -1.93489 11.0836 34.0797 -40.4927 -3.19345 -39.6458 -16.4406 TIMING: 3290600 CPU: 10394, 0.00314367/step Wall: 10394, 0.00314367/step, 1.49272 hours remaining, 237.453125 MB of memory in use. ENERGY: 3290600 3992.8032 20478.7866 14444.3805 258.3367 -202996.9937 2487.1536 0.0000 0.0000 52025.3196 -109310.2134 298.9902 -161335.5330 -108946.9600 299.5800 79.9947 112.2626 760529.4396 0.1075 0.1093 PRESSURE: 3290800 45.236 46.8059 -117.428 46.8058 -6.43682 42.6755 -117.429 42.6751 278.153 GPRESSURE: 3290800 156.418 89.8072 -136.553 -48.9813 -45.788 127.341 -216.181 62.3568 273.315 PRESSAVG: 3290800 -5.87717 -22.8617 -36.7226 -22.8618 60.6257 -9.31738 -36.7226 -9.31731 -6.53015 GPRESSAVG: 3290800 -4.95171 -24.3701 -36.7027 -21.7506 60.3905 -8.48886 -35.2721 -9.71463 -7.49477 TIMING: 3290800 CPU: 10394.6, 0.00315542/step Wall: 10394.6, 0.00315542/step, 1.49812 hours remaining, 237.453125 MB of memory in use. ENERGY: 3290800 3946.0829 20454.2952 14455.6566 247.1037 -203138.4882 2523.4408 0.0000 0.0000 52076.6989 -109435.2100 299.2855 -161511.9089 -109070.4279 299.2541 105.6506 127.9815 759723.7793 16.0728 15.9813 PRESSURE: 3291000 -848.849 -159.377 -56.2395 -159.377 -234.452 -61.1115 -56.2396 -61.1116 -786.713 GPRESSURE: 3291000 -742.178 -186.576 -114.558 -144.92 -254.161 -19.7831 -65.8517 -75.0458 -783.957 PRESSAVG: 3291000 -41.2229 -49.4404 -29.9369 -49.4404 -1.65818 -20.7448 -29.9369 -20.7448 6.28225 GPRESSAVG: 3291000 -42.1607 -47.4757 -28.9731 -51.7917 -1.62291 -21.3193 -29.759 -22.6293 7.43056 TIMING: 3291000 CPU: 10395.2, 0.00315568/step Wall: 10395.2, 0.00315568/step, 1.49807 hours remaining, 237.453125 MB of memory in use. ENERGY: 3291000 3913.7469 20560.1381 14462.8539 244.9480 -202991.6657 2188.0284 0.0000 0.0000 51880.5371 -109741.4135 298.1582 -161621.9505 -109376.0559 298.8233 -623.3380 -593.4322 762618.8494 -12.1996 -12.1177 PRESSURE: 3291200 146.74 69.2411 3.90878 69.241 298.218 -15.7745 3.90818 -15.7735 168.572 GPRESSURE: 3291200 142.357 -4.83997 12.2628 191.947 335.879 6.75615 51.3862 -38.8579 224.73 PRESSAVG: 3291200 -86.4488 13.1408 22.2585 13.1408 76.2076 20.143 22.2585 20.1429 -5.42667 GPRESSAVG: 3291200 -86.7896 12.8263 22.3965 13.6876 75.6637 20.9936 20.8399 21.3155 -4.53395 TIMING: 3291200 CPU: 10395.9, 0.00317139/step Wall: 10395.9, 0.00317139/step, 1.50535 hours remaining, 237.453125 MB of memory in use. ENERGY: 3291200 3947.1575 20435.4048 14433.6317 237.7781 -203511.3882 2737.4332 0.0000 0.0000 52096.8509 -109623.1319 299.4013 -161719.9828 -109266.4644 298.7603 204.5100 234.3219 760668.3527 -5.2226 -5.2200 PRESSURE: 3291400 -403.087 141.048 -143.085 141.048 44.7735 -188.776 -143.084 -188.776 -42.8717 GPRESSURE: 3291400 -372.017 131.042 -72.6122 -1.74304 59.5682 -142.052 -14.6824 -52.8035 7.59205 PRESSAVG: 3291400 -26.7742 2.05774 22.5726 2.05768 23.9138 32.853 22.5727 32.853 -21.06 GPRESSAVG: 3291400 -26.2057 -0.209736 20.8037 3.70488 24.4651 32.872 24.4502 33.2023 -21.9384 TIMING: 3291400 CPU: 10396.5, 0.00316156/step Wall: 10396.5, 0.00316156/step, 1.50051 hours remaining, 237.453125 MB of memory in use. ENERGY: 3291400 4025.3038 20466.5342 14454.2920 234.7614 -203292.8842 2352.2871 0.0000 0.0000 52107.8365 -109651.8693 299.4645 -161759.7058 -109294.3503 298.8291 -133.7286 -101.6188 760953.7892 -7.9735 -7.8930 PRESSURE: 3291600 -90.1103 -0.662327 32.6217 -0.66285 -200.89 216.527 32.6213 216.528 -65.4462 GPRESSURE: 3291600 -28.0759 97.1429 6.90685 50.5006 -136.32 172.492 -59.8226 232.081 -86.8786 PRESSAVG: 3291600 -46.0887 -12.2148 -27.1695 -12.2147 21.9802 -29.7208 -27.1694 -29.7208 -2.52381 GPRESSAVG: 3291600 -46.2683 -9.67504 -26.6083 -12.345 22.2966 -27.9871 -28.6171 -29.8795 -2.41699 TIMING: 3291600 CPU: 10397.1, 0.00318134/step Wall: 10397.1, 0.00318134/step, 1.50972 hours remaining, 237.453125 MB of memory in use. ENERGY: 3291600 4044.8668 20386.6544 14433.1817 246.2589 -203264.3239 2647.2006 0.0000 0.0000 51741.4906 -109764.6709 297.3591 -161506.1615 -109402.4597 298.5594 -118.8155 -83.7583 761979.7292 -8.8775 -8.7962 PRESSURE: 3291800 -186.87 -54.3662 22.5563 -54.3661 105.491 -135.654 22.5565 -135.654 -221.263 GPRESSURE: 3291800 -59.2089 -50.6029 85.186 -9.93984 100.75 -85.5844 -29.9276 -94.0411 -246.121 PRESSAVG: 3291800 -42.855 -6.31408 -30.6306 -6.31411 -13.3505 20.6407 -30.6306 20.6406 21.9599 GPRESSAVG: 3291800 -42.1495 -6.39661 -31.3621 -6.61705 -13.095 19.2505 -32.6554 20.6332 20.7642 TIMING: 3291800 CPU: 10397.8, 0.00316216/step Wall: 10397.8, 0.00316216/step, 1.50044 hours remaining, 237.453125 MB of memory in use. ENERGY: 3291800 3998.4947 20515.3958 14365.0134 231.7131 -203152.9362 2406.4420 0.0000 0.0000 51854.3591 -109781.5181 298.0077 -161635.8772 -109425.1197 298.4130 -100.8804 -68.1935 761105.0216 -11.4152 -11.4934 PRESSURE: 3292000 299.848 280.031 -8.0876 280.031 222.244 42.609 -8.0864 42.6095 99.2051 GPRESSURE: 3292000 292.007 250.591 -10.1959 238.833 267.139 -7.9758 -103.592 48.174 156.486 PRESSAVG: 3292000 -35.8032 28.9816 -20.6167 28.9817 39.9674 11.8717 -20.6167 11.8718 6.50606 GPRESSAVG: 3292000 -36.281 28.3661 -19.3883 28.5312 40.112 11.5084 -18.0429 12.2436 6.61401 TIMING: 3292000 CPU: 10398.4, 0.00315363/step Wall: 10398.4, 0.00315363/step, 1.49622 hours remaining, 237.453125 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: 3292000 3864.1141 20346.6171 14463.8970 250.0359 -203255.0914 2801.5294 0.0000 0.0000 51839.3680 -109689.5299 297.9216 -161528.8979 -109325.4558 298.6386 207.0991 238.5438 760482.3369 3.5568 3.4817 PRESSURE: 3292200 -434.34 146.465 -65.9962 146.465 30.4935 -45.6866 -65.9965 -45.6872 -176.722 GPRESSURE: 3292200 -352.022 100.159 -1.15961 125.448 86.8343 -17.2239 -121.782 21.2953 -217.575 PRESSAVG: 3292200 -48.958 7.33082 -5.74849 7.33084 39.2718 -50.7023 -5.74845 -50.7023 2.5865 GPRESSAVG: 3292200 -50.2879 6.58261 -6.09023 6.79814 39.85 -52.0642 -3.93257 -50.9719 3.86267 TIMING: 3292200 CPU: 10399, 0.0031757/step Wall: 10399, 0.0031757/step, 1.50652 hours remaining, 237.453125 MB of memory in use. ENERGY: 3292200 3995.4647 20383.6189 14479.2512 241.1961 -203189.8043 2702.5605 0.0000 0.0000 51706.1429 -109681.5700 297.1559 -161387.7129 -109321.9357 299.0851 -193.5227 -160.9210 761380.6143 -2.3666 -2.1917 LDB: ============= START OF LOAD BALANCING ============== 10411.6 LDB: ============== END OF LOAD BALANCING =============== 10411.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10411.6 LDB: ============= START OF LOAD BALANCING ============== 10411.9 LDB: Largest compute 7026 load 0.033369 is 17.1% of average load 0.195550 LDB: Average compute 0.004387 is 2.2% of average load 0.195550 LDB: TIME 10411.9 LOAD: AVG 0.19555 MAX 0.212044 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.008 MB LDB: TIME 10411.9 LOAD: AVG 0.19555 MAX 0.212044 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: TIME 10411.9 LOAD: AVG 0.19555 MAX 0.212044 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.008 MB LDB: ============== END OF LOAD BALANCING =============== 10411.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10411.9 PRESSURE: 3292400 112.884 123.526 -113.461 123.526 60.1787 201.961 -113.46 201.961 390.213 GPRESSURE: 3292400 119.819 164.473 -111.212 18.9128 135.595 185.687 -63.9499 135.538 376.371 PRESSAVG: 3292400 3.72494 -24.39 36.9119 -24.39 2.32484 -34.9306 36.9119 -34.9305 4.37879 GPRESSAVG: 3292400 3.85443 -24.2013 36.9314 -22.4869 2.74812 -34.541 36.3069 -35.0404 3.03531 TIMING: 3292400 CPU: 10399.7, 0.00323828/step Wall: 10399.7, 0.00323828/step, 1.53603 hours remaining, 235.710938 MB of memory in use. ENERGY: 3292400 3939.0211 20349.4954 14474.6725 259.2760 -203553.3616 2694.7644 0.0000 0.0000 51932.6777 -109903.4543 298.4578 -161836.1320 -109542.6939 298.5355 187.7586 210.5950 760688.2431 3.4762 3.2126 PRESSURE: 3292600 10.884 -298.604 178.632 -298.603 143.895 -19.9563 178.632 -19.9566 83.4427 GPRESSURE: 3292600 41.4372 -239.497 140.59 -293.407 72.1913 -90.0274 203.143 51.2286 214.138 PRESSAVG: 3292600 -20.0483 -0.457477 7.77663 -0.457419 23.2311 -10.8529 7.77668 -10.8529 22.6571 GPRESSAVG: 3292600 -20.0798 0.176664 6.57632 -3.87488 21.0915 -11.0826 7.85972 -9.72524 24.248 TIMING: 3292600 CPU: 10400.3, 0.00315807/step Wall: 10400.3, 0.00315807/step, 1.4978 hours remaining, 235.710938 MB of memory in use. ENERGY: 3292600 3959.0579 20289.1501 14341.0472 234.9764 -203761.7558 2791.2570 0.0000 0.0000 52107.7382 -110038.5291 299.4639 -162146.2673 -109663.9793 297.6042 79.4071 109.2556 762255.5011 8.6133 8.4199 PRESSURE: 3292800 -34.6031 201.096 -127.376 201.096 -18.3379 -306.331 -127.375 -306.331 -197.251 GPRESSURE: 3292800 -5.51346 148.945 -80.0435 76.9411 68.0151 -312.405 -103.623 -350.265 -195.221 PRESSAVG: 3292800 -72.0275 -51.3709 5.10781 -51.3709 67.6003 -33.3273 5.10787 -33.3273 -11.3835 GPRESSAVG: 3292800 -71.007 -52.2304 7.63856 -47.0569 68.493 -31.0835 4.74337 -32.6208 -12.9837 TIMING: 3292800 CPU: 10400.9, 0.00316197/step Wall: 10400.9, 0.00316197/step, 1.49948 hours remaining, 235.710938 MB of memory in use. ENERGY: 3292800 3967.0670 20333.8464 14456.6416 241.2137 -203504.0408 2768.6822 0.0000 0.0000 51866.4429 -109870.1469 298.0772 -161736.5898 -109518.8306 297.2813 -83.3974 -44.2398 761218.2232 -5.2702 -5.1659 PRESSURE: 3293000 176.828 -84.3395 -123.105 -84.339 142.981 178.544 -123.106 178.545 277.81 GPRESSURE: 3293000 203.158 -59.2998 -58.326 -193.59 307.736 141.006 -275.706 183.92 198.642 PRESSAVG: 3293000 -17.2677 -3.55401 -31.1108 -3.55401 55.8192 -50.9901 -31.1108 -50.9902 13.4198 GPRESSAVG: 3293000 -17.2787 -3.35448 -33.2437 -5.82297 57.0377 -52.9816 -31.0516 -50.5572 12.6263 TIMING: 3293000 CPU: 10401.6, 0.00316737/step Wall: 10401.6, 0.00316737/step, 1.50186 hours remaining, 235.710938 MB of memory in use. ENERGY: 3293000 4005.9557 20459.8454 14421.5394 255.8980 -203519.9035 2776.9859 0.0000 0.0000 51931.0427 -109668.6363 298.4484 -161599.6791 -109299.0959 298.0301 199.2061 236.5118 762124.3855 17.3238 17.4618 PRESSURE: 3293200 122.892 46.6471 6.08372 46.6473 563.581 37.9312 6.08344 37.9311 -63.2959 GPRESSURE: 3293200 191.567 112.906 -60.1073 99.9841 484.472 60.3126 -32.5229 22.8722 26.2735 PRESSAVG: 3293200 -36.8466 11.9462 -44.8136 11.9462 10.4071 -14.2078 -44.8136 -14.2079 -4.10493 GPRESSAVG: 3293200 -36.8882 12.9546 -46.3734 14.1016 10.2883 -13.0087 -44.9983 -15.6475 -4.15386 TIMING: 3293200 CPU: 10402.2, 0.0031765/step Wall: 10402.2, 0.0031765/step, 1.50601 hours remaining, 235.710938 MB of memory in use. ENERGY: 3293200 4056.5130 20523.7794 14437.3503 256.2215 -203488.6245 2710.5649 0.0000 0.0000 51831.0551 -109673.1403 297.8738 -161504.1954 -109313.4990 298.4552 207.7258 234.1039 759529.9548 -10.1815 -10.2513 PRESSURE: 3293400 -15.1226 -151.899 -230.816 -151.899 186.391 -275.211 -230.816 -275.21 139.095 GPRESSURE: 3293400 49.8097 -84.1616 -188.438 25.2571 156.937 -339.173 -154.849 -129.876 160.981 PRESSAVG: 3293400 -28.7286 2.25629 -23.418 2.25638 54.8358 -13.1303 -23.418 -13.1303 -5.20293 GPRESSAVG: 3293400 -29.6975 -0.254711 -21.4271 2.87111 55.5513 -14.0349 -24.3027 -10.0003 -4.79062 TIMING: 3293400 CPU: 10402.8, 0.00318026/step Wall: 10402.8, 0.00318026/step, 1.50762 hours remaining, 235.710938 MB of memory in use. ENERGY: 3293400 3996.6358 20563.9478 14424.3949 263.9442 -203148.2549 2445.6229 0.0000 0.0000 51761.6295 -109692.0797 297.4748 -161453.7093 -109336.6976 298.4616 103.4545 122.5759 760990.3951 6.9681 7.0210 PRESSURE: 3293600 -383.79 -32.033 -69.9358 -32.0334 -38.2567 -296.835 -69.9361 -296.835 342.854 GPRESSURE: 3293600 -364.926 -17.4841 -103.93 -12.278 74.7962 -247.712 -87.6459 -308.67 298.541 PRESSAVG: 3293600 -23.2734 16.6533 -27.4863 16.6533 22.8649 -55.7767 -27.4862 -55.7767 -2.68446 GPRESSAVG: 3293600 -22.4774 18.7472 -27.5424 13.0822 21.2339 -54.3671 -26.8113 -58.9324 -1.48126 TIMING: 3293600 CPU: 10403.5, 0.00315774/step Wall: 10403.5, 0.00315774/step, 1.49677 hours remaining, 235.710938 MB of memory in use. ENERGY: 3293600 3974.7018 20348.6085 14492.4154 230.3981 -202939.5385 2182.5806 0.0000 0.0000 52083.8209 -109627.0131 299.3264 -161710.8341 -109262.3463 298.2681 -26.3975 2.8037 760746.2948 -1.0310 -0.9083 PRESSURE: 3293800 -128.253 -86.5872 -50.5997 -86.5863 -2.09815 66.8502 -50.5997 66.8503 -373.245 GPRESSURE: 3293800 -6.99886 -67.5815 -99.2276 -69.9553 -152.596 140.96 57.5947 170.746 -252.968 PRESSAVG: 3293800 -57.1322 67.9421 -20.7368 67.9422 0.803859 -58.3819 -20.7368 -58.3818 -4.81836 GPRESSAVG: 3293800 -56.2406 68.483 -20.6641 68.349 -0.0204282 -58.8046 -19.1319 -58.1324 -5.2625 TIMING: 3293800 CPU: 10404.1, 0.00319667/step Wall: 10404.1, 0.00319667/step, 1.51504 hours remaining, 235.710938 MB of memory in use. ENERGY: 3293800 4001.2067 20477.3867 14386.6062 237.2271 -202839.0357 2148.9322 0.0000 0.0000 52166.4639 -109421.2129 299.8014 -161587.6768 -109060.9379 298.5603 -167.8651 -137.5211 761232.2953 -20.3822 -20.5078 PRESSURE: 3294000 -203.234 34.7237 254.944 34.7228 9.67347 42.5701 254.944 42.5702 -184.896 GPRESSURE: 3294000 -160.255 131.129 235.52 -6.66175 24.2851 143.197 59.4399 -40.0738 -137.098 PRESSAVG: 3294000 -56.3349 22.4375 13.6575 22.4375 53.831 -10.6453 13.6575 -10.6453 0.647608 GPRESSAVG: 3294000 -56.9016 22.2576 12.8323 24.3453 54.0565 -11.1007 10.4686 -8.983 0.777528 TIMING: 3294000 CPU: 10404.7, 0.00315487/step Wall: 10404.7, 0.00315487/step, 1.49506 hours remaining, 235.710938 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: 3294000 3922.1913 20547.6270 14411.4265 237.1252 -203177.8549 2464.7546 0.0000 0.0000 52188.3505 -109406.3798 299.9272 -161594.7303 -109043.3227 299.2825 -126.1522 -91.0227 760708.7922 -0.6188 -0.6892 PRESSURE: 3294200 -364.525 -157.823 -87.4321 -157.823 -197.923 -198.125 -87.4327 -198.123 5.85509 GPRESSURE: 3294200 -294.044 -73.9569 -132.966 -129.167 -188.96 -206.197 59.6551 -96.5792 25.6791 PRESSAVG: 3294200 32.6612 -51.4993 -26.962 -51.4993 16.2364 -15.6704 -26.9619 -15.6704 -2.39587 GPRESSAVG: 3294200 32.2745 -51.8618 -27.0818 -51.7479 16.6798 -16.5727 -24.7338 -17.2323 -2.64411 TIMING: 3294200 CPU: 10405.4, 0.00318768/step Wall: 10405.4, 0.00318768/step, 1.51043 hours remaining, 235.710938 MB of memory in use. ENERGY: 3294200 3951.5330 20493.9500 14457.3197 249.2392 -203243.0074 2502.7527 0.0000 0.0000 52173.2525 -109414.9604 299.8404 -161588.2129 -109055.7947 299.5495 -185.5308 -152.4415 760979.0057 15.5006 15.4367 PRESSURE: 3294400 5.66516 -36.4186 -231.618 -36.4183 0.214578 -120.224 -231.618 -120.223 218.35 GPRESSURE: 3294400 76.5151 -141.285 -291.512 105.154 44.6525 -30.664 -163.353 -112.773 188.41 PRESSAVG: 3294400 -11.5652 -22.4107 -23.2638 -22.4106 29.7067 -34.1561 -23.2638 -34.156 16.0189 GPRESSAVG: 3294400 -12.45 -22.531 -23.2076 -22.3844 30.1049 -32.8524 -21.9283 -33.6872 16.9719 TIMING: 3294400 CPU: 10406, 0.00319043/step Wall: 10406, 0.00319043/step, 1.51156 hours remaining, 235.710938 MB of memory in use. ENERGY: 3294400 3955.4487 20469.2304 14415.7095 248.2953 -203093.2490 2431.1600 0.0000 0.0000 52167.2210 -109406.1841 299.8057 -161573.4051 -109037.8630 299.5170 74.7434 103.1924 762961.5798 11.3868 11.5423 PRESSURE: 3294600 169.447 151.258 -20.1306 151.258 -90.1952 -103.259 -20.1299 -103.259 87.2159 GPRESSURE: 3294600 271.176 85.5031 69.7308 80.7039 -14.1276 10.6148 -27.4594 -80.3801 -10.3416 PRESSAVG: 3294600 -0.972626 33.5131 -4.98129 33.5132 -54.8418 -19.8598 -4.98132 -19.8598 7.62324 GPRESSAVG: 3294600 -0.635063 34.0346 -4.49433 33.2073 -54.5226 -22.2456 -6.19203 -17.8841 6.57291 TIMING: 3294600 CPU: 10406.6, 0.00315808/step Wall: 10406.6, 0.00315808/step, 1.49605 hours remaining, 235.710938 MB of memory in use. ENERGY: 3294600 3888.9506 20371.8941 14438.1506 257.3276 -203679.0644 2710.0300 0.0000 0.0000 52435.4358 -109577.2757 301.3472 -162012.7115 -109215.3627 299.3706 55.4892 82.2355 760015.0281 -16.0637 -16.1949 PRESSURE: 3294800 106.11 -18.3295 95.985 -18.3288 97.0692 -27.6633 95.9858 -27.6637 197.112 GPRESSURE: 3294800 43.774 -55.0201 94.3795 -4.82634 182.56 16.6783 -6.23995 -73.7589 221.906 PRESSAVG: 3294800 -20.2291 26.8071 -28.2159 26.8071 36.1141 19.8813 -28.2158 19.8812 -18.2229 GPRESSAVG: 3294800 -18.8187 26.4002 -28.6715 26.9309 33.8229 22.7631 -29.4574 15.942 -18.2458 TIMING: 3294800 CPU: 10407.3, 0.00314564/step Wall: 10407.3, 0.00314564/step, 1.48998 hours remaining, 235.710938 MB of memory in use. ENERGY: 3294800 3971.9713 20574.2963 14464.6139 250.2763 -203542.5937 2801.3189 0.0000 0.0000 52143.3352 -109336.7818 299.6685 -161480.1169 -108975.1635 299.4341 133.4303 149.4133 760472.9169 -0.7793 -1.0805 PRESSURE: 3295000 -36.1372 -224.044 0.744517 -224.045 -436.744 0.673317 0.744383 0.672839 -431.38 GPRESSURE: 3295000 1.33636 -84.2543 38.1489 -223.333 -336.008 -62.3256 -27.0319 1.76697 -469.441 PRESSAVG: 3295000 32.7995 3.59528 -63.7663 3.59526 22.0469 31.4848 -63.7664 31.4848 15.8047 GPRESSAVG: 3295000 31.2006 3.46555 -64.4969 3.20784 24.2337 31.3556 -60.9761 32.2833 15.3202 TIMING: 3295000 CPU: 10407.9, 0.00315398/step Wall: 10407.9, 0.00315398/step, 1.49376 hours remaining, 235.710938 MB of memory in use. ENERGY: 3295000 4137.4922 20633.6647 14524.8158 239.9826 -202896.8221 2326.2321 0.0000 0.0000 51891.4994 -109143.1354 298.2212 -161034.6348 -108798.9070 299.5855 -301.4203 -268.0375 761154.6123 23.5504 23.5848 PRESSURE: 3295200 -557.888 -18.9004 50.5893 -18.9 -366.751 -178.066 50.5896 -178.067 -94.302 GPRESSURE: 3295200 -413.53 124.128 99.6617 -42.748 -411.008 -111.333 -21.2417 -251.539 -112.461 PRESSAVG: 3295200 35.3703 -24.3273 -5.00501 -24.3274 -36.5526 29.26 -5.00506 29.2601 -7.84153 GPRESSAVG: 3295200 35.2261 -22.9443 -5.58017 -24.5975 -36.2078 27.8289 -6.56732 31.4944 -7.88783 TIMING: 3295200 CPU: 10408.5, 0.00315553/step Wall: 10408.5, 0.00315553/step, 1.49432 hours remaining, 235.710938 MB of memory in use. ENERGY: 3295200 3984.4080 20504.4750 14429.4843 236.8832 -202640.8605 2330.0471 0.0000 0.0000 52028.2318 -109127.3312 299.0070 -161155.5630 -108769.2685 299.2289 -339.6472 -312.3328 761643.7438 -3.0079 -2.9565 PRESSURE: 3295400 -306.012 161.871 180.94 161.871 62.1746 39.7019 180.94 39.7026 379.389 GPRESSURE: 3295400 -261.579 270.802 110.541 234.586 101.971 3.88041 251.616 -51.0661 389.872 PRESSAVG: 3295400 24.6615 67.1795 38.1733 67.1795 -2.86275 23.1398 38.1733 23.1398 3.25416 GPRESSAVG: 3295400 25.0216 66.9529 39.3982 68.6851 -3.97411 22.4418 37.5535 21.968 3.98057 TIMING: 3295400 CPU: 10409.2, 0.0031603/step Wall: 10409.2, 0.0031603/step, 1.4964 hours remaining, 235.710938 MB of memory in use. ENERGY: 3295400 3900.1476 20531.0791 14513.7477 253.7117 -202840.9764 2477.8433 0.0000 0.0000 52112.2957 -109052.1512 299.4901 -161164.4469 -108693.2659 299.7849 45.1838 76.7544 762720.1287 8.3510 8.3427 PRESSURE: 3295600 -215.136 -16.9646 -190.779 -16.964 -152.717 -175.292 -190.778 -175.291 -380.113 GPRESSURE: 3295600 -174.866 8.54827 -206.215 -114.018 -102.315 -224.577 -160.161 -192.051 -373.287 PRESSAVG: 3295600 10.2916 27.8485 1.09206 27.8485 -10.9627 3.35806 1.092 3.35797 11.2277 GPRESSAVG: 3295600 10.347 27.5405 0.437335 26.7586 -10.7677 3.29819 1.94751 3.71295 11.428 TIMING: 3295600 CPU: 10409.8, 0.00317472/step Wall: 10409.8, 0.00317472/step, 1.50305 hours remaining, 235.710938 MB of memory in use. ENERGY: 3295600 4030.2424 20517.4418 14481.4741 258.1979 -203146.4439 2702.3071 0.0000 0.0000 51970.5762 -109186.2044 298.6756 -161156.7806 -108826.5178 299.5630 -249.3219 -216.8224 762343.8508 3.5188 3.6691 PRESSURE: 3295800 -160.07 100.517 25.5637 100.517 -179.123 96.1091 25.5631 96.1099 -317.62 GPRESSURE: 3295800 -94.463 40.0696 -44.0042 61.5638 -147.916 65.2095 144.097 53.8446 -330.071 PRESSAVG: 3295800 -40.993 21.9263 -21.7396 21.9263 25.5451 11.0318 -21.7396 11.0318 9.27744 GPRESSAVG: 3295800 -40.471 22.6696 -21.1873 22.2316 25.0362 11.9404 -21.2197 9.17745 9.33014 TIMING: 3295800 CPU: 10410.4, 0.0031797/step Wall: 10410.4, 0.0031797/step, 1.50523 hours remaining, 235.710938 MB of memory in use. ENERGY: 3295800 4016.4218 20599.7660 14523.8194 238.9369 -202480.4242 2060.8315 0.0000 0.0000 51660.9010 -109379.7476 296.8959 -161040.6486 -109026.2379 298.8214 -218.9377 -190.8167 761637.2355 -2.0568 -2.0349 PRESSURE: 3296000 -195.244 93.7117 37.2811 93.7116 187.786 -29.3709 37.2817 -29.3707 145.203 GPRESSURE: 3296000 -77.035 38.4606 63.2623 157.651 189.648 -10.2571 20.5115 -129.66 117.447 PRESSAVG: 3296000 -36.6186 10.1063 11.0382 10.1062 6.59677 -8.67405 11.0382 -8.67405 38.2948 GPRESSAVG: 3296000 -36.3711 8.95834 11.2436 12.5035 6.67045 -8.53112 10.9574 -7.85612 37.7079 TIMING: 3296000 CPU: 10411.1, 0.00317786/step Wall: 10411.1, 0.00317786/step, 1.50419 hours remaining, 235.710938 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: 3296000 3967.5804 20244.4630 14491.0257 251.7043 -202758.0115 2326.9057 0.0000 0.0000 52175.2120 -109301.1204 299.8517 -161476.3324 -108941.7479 299.0560 45.9150 76.6867 762340.4921 2.7576 2.6691 PRESSURE: 3296200 -150.167 -31.9661 -61.6409 -31.9659 232.409 111.368 -61.6409 111.367 115.111 GPRESSURE: 3296200 -66.9838 -86.3805 -53.1483 -2.82711 249.2 2.18571 -50.3319 114.537 110.519 PRESSAVG: 3296200 17.0853 14.7057 -57.2526 14.7058 -27.7331 10.3365 -57.2526 10.3364 -6.32597 GPRESSAVG: 3296200 17.5033 14.969 -57.7268 12.7809 -27.9457 8.69375 -58.4966 10.8946 -6.52894 TIMING: 3296200 CPU: 10411.7, 0.00318028/step Wall: 10411.7, 0.00318028/step, 1.50516 hours remaining, 235.710938 MB of memory in use. ENERGY: 3296200 4014.5290 20371.3217 14485.5917 239.4099 -202795.0956 2612.7624 0.0000 0.0000 51974.3686 -109097.1123 298.6974 -161071.4809 -108745.2036 298.8728 65.7843 97.5782 763352.1830 -5.6579 -5.6571 LDB: ============= START OF LOAD BALANCING ============== 10424.2 LDB: ============== END OF LOAD BALANCING =============== 10424.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424.2 LDB: ============= START OF LOAD BALANCING ============== 10424.6 LDB: Largest compute 7026 load 0.032469 is 16.6% of average load 0.195570 LDB: Average compute 0.004381 is 2.2% of average load 0.195570 LDB: TIME 10424.6 LOAD: AVG 0.19557 MAX 0.211871 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.695 MB LDB: TIME 10424.6 LOAD: AVG 0.19557 MAX 0.211871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: TIME 10424.6 LOAD: AVG 0.19557 MAX 0.211871 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: ============== END OF LOAD BALANCING =============== 10424.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10424.6 PRESSURE: 3296400 442.626 -29.6294 -253.265 -29.6294 -16.3944 -294.322 -253.264 -294.322 24.3944 GPRESSURE: 3296400 486.954 -99.9572 -252.393 30.0999 0.472414 -329.299 -119.04 -180.543 47.2791 PRESSAVG: 3296400 19.2459 42.5987 -65.3678 42.5987 -71.3285 -20.4817 -65.3677 -20.4817 -7.42293 GPRESSAVG: 3296400 18.1869 43.4395 -64.9425 43.2811 -69.9309 -17.3681 -64.571 -20.0163 -7.88601 TIMING: 3296400 CPU: 10412.4, 0.00324482/step Wall: 10412.4, 0.00324482/step, 1.53552 hours remaining, 234.882812 MB of memory in use. ENERGY: 3296400 3946.2333 20518.9726 14434.1528 231.8138 -203189.1738 2878.4724 0.0000 0.0000 51896.9773 -109282.5516 298.2526 -161179.5289 -108927.7370 299.3694 150.2086 178.2353 762999.5879 -19.8352 -19.8767 PRESSURE: 3296600 211.779 205.695 -0.19836 205.695 -76.5465 133.009 -0.197127 133.01 -61.5683 GPRESSURE: 3296600 162.347 226.453 90.6403 187.777 9.77722 140.039 52.8507 179.173 6.24295 PRESSAVG: 3296600 37.7747 10.0068 -23.3811 10.0069 -27.1821 38.8905 -23.381 38.8905 -3.62872 GPRESSAVG: 3296600 37.5306 8.83092 -24.4353 10.1462 -27.9562 37.3435 -21.3694 40.5984 -2.66834 TIMING: 3296600 CPU: 10413, 0.0031775/step Wall: 10413, 0.0031775/step, 1.50349 hours remaining, 234.882812 MB of memory in use. ENERGY: 3296600 4007.1633 20378.2672 14498.6650 235.4166 -203369.8917 2869.8206 0.0000 0.0000 52166.3391 -109214.2198 299.8007 -161380.5589 -108857.0240 299.5238 24.5547 59.4558 762925.3801 2.3213 2.3020 PRESSURE: 3296800 -119.995 90.2074 200.36 90.2068 -262.752 68.7605 200.36 68.7601 -180.016 GPRESSURE: 3296800 -89.416 76.2902 211.337 117.419 -223.293 -27.7656 118.765 63.8693 -174.961 PRESSAVG: 3296800 43.0366 -31.2273 17.5256 -31.2273 2.78527 10.8637 17.5256 10.8638 10.2947 GPRESSAVG: 3296800 43.0202 -30.7511 19.3416 -31.1335 3.51451 9.65524 15.712 10.1504 9.62462 TIMING: 3296800 CPU: 10413.6, 0.00317433/step Wall: 10413.6, 0.00317433/step, 1.50181 hours remaining, 234.882812 MB of memory in use. ENERGY: 3296800 4056.1324 20454.3275 14537.4984 248.4151 -203470.3987 2673.0130 0.0000 0.0000 52165.3971 -109335.6152 299.7953 -161501.0123 -108972.8787 299.0956 -187.5881 -162.5566 761983.5629 18.7055 18.7198 PRESSURE: 3297000 -427.434 95.5601 -22.3433 95.56 36.5594 120.125 -22.3437 120.125 -81.8269 GPRESSURE: 3297000 -209.17 29.3504 -52.6139 167.31 -130.597 116.606 -47.6236 38.8442 -42.1125 PRESSAVG: 3297000 21.3485 34.9673 0.0651651 34.9673 -42.5924 -48.8473 0.0651728 -48.8474 17.762 GPRESSAVG: 3297000 21.9339 33.817 0.102019 34.6248 -43.3741 -48.6036 -0.607849 -48.8836 17.9033 TIMING: 3297000 CPU: 10414.3, 0.00316784/step Wall: 10414.3, 0.00316784/step, 1.49856 hours remaining, 234.882812 MB of memory in use. ENERGY: 3297000 4068.2768 20440.3197 14506.8303 239.6394 -203324.5242 2537.7404 0.0000 0.0000 52039.9090 -109491.8086 299.0741 -161531.7175 -109134.5666 299.0616 -157.5671 -127.2934 761892.7897 -1.1607 -1.1789 PRESSURE: 3297200 -171.848 -147.61 -47.0294 -147.611 39.0113 -155.977 -47.0292 -155.975 205.621 GPRESSURE: 3297200 -166.73 -179.911 -46.9626 -79.5409 135.128 -106.505 78.6983 -165.58 204.704 PRESSAVG: 3297200 -23.2152 15.2324 -26.9238 15.2325 49.3104 -13.1239 -26.9237 -13.124 -16.5982 GPRESSAVG: 3297200 -23.1094 17.6317 -26.3835 14.9119 48.8502 -12.8252 -25.7979 -14.5702 -16.2692 TIMING: 3297200 CPU: 10414.9, 0.00316886/step Wall: 10414.9, 0.00316886/step, 1.49887 hours remaining, 234.882812 MB of memory in use. ENERGY: 3297200 3992.1352 20509.8006 14500.1202 244.4942 -203653.3283 3085.4495 0.0000 0.0000 52012.1351 -109309.1935 298.9145 -161321.3286 -108942.0499 298.8626 24.2615 57.7009 763125.9633 3.1656 3.1572 PRESSURE: 3297400 -7.70756 235.942 -289.501 235.943 240.817 258.197 -289.501 258.197 230.351 GPRESSURE: 3297400 11.8329 177.075 -299.988 199.827 324.071 294.873 -250.243 309.445 231.352 PRESSAVG: 3297400 14.8 58.7516 -30.5042 58.7516 -4.8876 20.6622 -30.5043 20.6623 13.6819 GPRESSAVG: 3297400 15.4494 57.753 -32.2883 59.1875 -4.54963 22.2913 -31.0665 18.7832 13.0583 TIMING: 3297400 CPU: 10415.5, 0.0031739/step Wall: 10415.5, 0.0031739/step, 1.50108 hours remaining, 234.882812 MB of memory in use. ENERGY: 3297400 3969.4166 20468.3552 14603.5471 258.8015 -202983.7285 2581.5043 0.0000 0.0000 51919.7315 -109182.3724 298.3834 -161102.1039 -108828.1110 299.3413 154.4867 189.0854 762029.8724 7.8648 7.9860 PRESSURE: 3297600 50.5232 -247.036 -44.3734 -247.036 -455.904 41.5073 -44.374 41.5079 172.954 GPRESSURE: 3297600 -20.3202 -251.366 -102.105 -215.262 -307.387 91.8665 97.7917 170.158 171.63 PRESSAVG: 3297600 -16.7934 45.8453 -44.4454 45.8454 64.3127 53.7015 -44.4454 53.7016 -1.30223 GPRESSAVG: 3297600 -17.2911 44.2274 -44.7586 46.6868 63.7729 52.1954 -43.6271 57.2872 -0.229875 TIMING: 3297600 CPU: 10416.2, 0.00316189/step Wall: 10416.2, 0.00316189/step, 1.49522 hours remaining, 234.882812 MB of memory in use. ENERGY: 3297600 4004.5027 20452.4650 14565.1549 238.3502 -202946.6371 2449.5542 0.0000 0.0000 52037.9514 -109198.6587 299.0628 -161236.6101 -108834.3198 299.1492 -77.4757 -52.0256 761842.1456 15.4057 15.4173 PRESSURE: 3297800 -14.0174 27.1487 -151.476 27.1481 -3.64774 -160.676 -151.477 -160.676 306.978 GPRESSURE: 3297800 -43.4354 -15.1105 -136.506 -15.2232 97.9884 -190.116 -55.3595 -139.125 311.731 PRESSAVG: 3297800 17.3924 32.7585 -7.21358 32.7585 -20.4974 -20.1789 -7.21366 -20.1789 8.56711 GPRESSAVG: 3297800 16.6794 34.6876 -6.44682 31.7498 -19.3442 -20.0261 -6.89439 -20.1443 7.28225 TIMING: 3297800 CPU: 10416.8, 0.00315383/step Wall: 10416.8, 0.00315383/step, 1.49124 hours remaining, 234.882812 MB of memory in use. ENERGY: 3297800 3973.6057 20435.6204 14534.4218 239.7321 -203067.7193 2600.0849 0.0000 0.0000 52066.4241 -109217.8303 299.2265 -161284.2544 -108849.5949 299.2027 96.4377 122.0946 762438.9695 1.8207 1.5391 PRESSURE: 3298000 -154.258 116.005 -44.076 116.005 480.066 70.3938 -44.0752 70.3937 -31.5202 GPRESSURE: 3298000 -0.336817 125.4 -52.6868 101.773 429.4 128.65 -9.61126 15.235 -24.7612 PRESSAVG: 3298000 -62.1991 -3.2946 26.4717 -3.29462 49.1501 -42.4607 26.4717 -42.4608 -4.50422 GPRESSAVG: 3298000 -62.2328 -2.56477 26.9541 -1.83409 48.0095 -41.2604 24.5025 -43.608 -3.16607 TIMING: 3298000 CPU: 10417.4, 0.00317718/step Wall: 10417.4, 0.00317718/step, 1.5021 hours remaining, 234.882812 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: 3298000 4039.1449 20489.1304 14426.1733 243.6102 -203707.4747 2755.5428 0.0000 0.0000 52251.9171 -109501.9560 300.2925 -161753.8731 -109135.9034 299.1766 98.0960 134.7673 759002.2046 -5.8511 -5.7965 PRESSURE: 3298200 -149.075 99.7307 26.2578 99.7311 -215.871 3.64377 26.2583 3.64275 -273.165 GPRESSURE: 3298200 -193.516 43.1002 -72.377 105.16 -134.147 -48.9409 13.7074 83.486 -221.161 PRESSAVG: 3298200 -21.5604 43.1863 -54.1793 43.1863 15.7436 4.14997 -54.1793 4.15001 14.0851 GPRESSAVG: 3298200 -21.9036 42.823 -54.1504 42.6257 16.3718 2.35819 -54.3446 5.32471 13.2774 TIMING: 3298200 CPU: 10418.1, 0.00316773/step Wall: 10418.1, 0.00316773/step, 1.49746 hours remaining, 234.882812 MB of memory in use. ENERGY: 3298200 4011.7090 20366.0297 14437.3495 251.8737 -203158.3068 2469.9411 0.0000 0.0000 51933.4439 -109687.9599 298.4622 -161621.4038 -109314.2748 298.8362 -212.7037 -182.9413 761560.1872 2.7561 2.5819 PRESSURE: 3298400 112.838 -7.62556 -33.2166 -7.62509 153.777 -192.08 -33.2158 -192.081 26.4347 GPRESSURE: 3298400 238.712 -28.7149 -0.735254 43.2644 90.8165 -248.156 -8.53688 -85.9868 37.5121 PRESSAVG: 3298400 58.6651 4.98864 -3.96665 4.98863 -40.3576 8.47609 -3.96661 8.47603 4.25203 GPRESSAVG: 3298400 58.9291 5.778 -4.05337 4.90943 -40.5227 8.65117 -4.06509 8.40849 4.04136 TIMING: 3298400 CPU: 10418.7, 0.00317234/step Wall: 10418.7, 0.00317234/step, 1.49946 hours remaining, 234.882812 MB of memory in use. ENERGY: 3298400 4017.6189 20593.1292 14497.8843 244.3684 -203711.5355 2820.5658 0.0000 0.0000 52055.0292 -109482.9398 299.1610 -161537.9689 -109117.5701 298.6834 97.6833 122.3469 761276.4055 7.5198 7.4826 PRESSURE: 3298600 -366.772 123.622 -92.1193 123.622 -302.45 -196.868 -92.1201 -196.869 306.64 GPRESSURE: 3298600 -390.587 104.082 -143.184 139.915 -262.215 -109.499 -122.31 -206.134 382.034 PRESSAVG: 3298600 1.39689 6.2997 -16.0246 6.29975 3.89507 25.8252 -16.0245 25.8252 -13.3795 GPRESSAVG: 3298600 0.998137 6.31058 -17.5499 6.75378 3.89641 28.0679 -15.0496 23.9906 -12.7592 TIMING: 3298600 CPU: 10419.3, 0.00317866/step Wall: 10419.3, 0.00317866/step, 1.50227 hours remaining, 234.882812 MB of memory in use. ENERGY: 3298600 4048.9246 20610.8943 14459.9905 233.7763 -203331.3609 2524.1491 0.0000 0.0000 51997.8421 -109455.7841 298.8323 -161453.6262 -109099.9068 299.1296 -120.8606 -90.2559 762102.8377 -2.6958 -2.6216 PRESSURE: 3298800 -401.452 71.4212 -182.594 71.4213 -92.682 85.3252 -182.594 85.3256 -67.9701 GPRESSURE: 3298800 -317.948 25.595 -121.176 65.5185 -74.1378 117.528 -175.698 75.4292 -73.4185 PRESSAVG: 3298800 4.84153 53.6496 -4.88113 53.6496 30.3789 -59.6865 -4.88116 -59.6865 47.8151 GPRESSAVG: 3298800 5.24417 53.0646 -3.06218 52.679 30.2451 -61.1823 -4.16868 -57.8354 47.81 TIMING: 3298800 CPU: 10420, 0.00315653/step Wall: 10420, 0.00315653/step, 1.49164 hours remaining, 234.882812 MB of memory in use. ENERGY: 3298800 4009.5378 20614.7775 14437.8946 246.4138 -203294.7822 2624.9863 0.0000 0.0000 51864.0751 -109497.0971 298.0636 -161361.1722 -109139.8460 299.2650 -187.3680 -155.1681 762565.1127 27.6785 27.7664 PRESSURE: 3299000 203.85 -125.253 452.726 -125.252 -51.0029 4.53241 452.726 4.53338 88.7175 GPRESSURE: 3299000 197.12 -106.999 386.802 -124.545 30.1255 -87.9968 352.601 -53.2853 99.2777 PRESSAVG: 3299000 12.4203 -31.6436 -21.3403 -31.6436 -25.8726 -11.7879 -21.3403 -11.788 9.42897 GPRESSAVG: 3299000 12.4437 -31.6665 -22.0674 -30.9783 -25.8966 -11.9039 -24.3149 -13.1585 9.6562 TIMING: 3299000 CPU: 10420.6, 0.00315804/step Wall: 10420.6, 0.00315804/step, 1.49217 hours remaining, 234.882812 MB of memory in use. ENERGY: 3299000 4002.0867 20567.4257 14478.4032 259.7363 -203736.9906 2883.7064 0.0000 0.0000 52310.1373 -109235.4949 300.6271 -161545.6323 -108869.0148 299.7008 80.5216 108.8412 761628.8330 -1.3411 -1.2656 PRESSURE: 3299200 -42.5543 19.0736 -97.2341 19.0735 184.804 246.518 -97.2348 246.519 -248.332 GPRESSURE: 3299200 -34.105 -57.4438 -179.368 -45.5127 190.661 234.142 -89.1038 70.3192 -165.289 PRESSAVG: 3299200 10.4709 -33.8514 -13.8794 -33.8514 4.29986 7.15634 -13.8795 7.1563 -9.51278 GPRESSAVG: 3299200 9.90395 -34.9468 -14.1804 -36.0773 5.21349 6.05586 -11.6589 5.49916 -9.46877 TIMING: 3299200 CPU: 10421.2, 0.003151/step Wall: 10421.2, 0.003151/step, 1.48867 hours remaining, 234.882812 MB of memory in use. ENERGY: 3299200 4057.7282 20564.5948 14447.6954 254.3810 -203556.8225 2856.9726 0.0000 0.0000 52285.3947 -109090.0558 300.4849 -161375.4505 -108726.0360 299.7618 -35.3610 -2.9112 762233.9209 1.7526 1.8829 PRESSURE: 3299400 -99.7152 -206.273 -29.9748 -206.273 -71.8478 -202.491 -29.975 -202.49 19.6013 GPRESSURE: 3299400 61.3261 -95.3003 73.6646 -261.961 -65.8541 -266.964 -11.2926 -137.403 -49.5101 PRESSAVG: 3299400 19.268 -21.4537 29.1611 -21.4537 -63.6137 1.43201 29.1612 1.43202 -6.70633 GPRESSAVG: 3299400 19.7463 -20.6576 29.8977 -19.8088 -63.5441 2.08044 28.4357 2.82932 -7.1888 TIMING: 3299400 CPU: 10421.9, 0.00317234/step Wall: 10421.9, 0.00317234/step, 1.49858 hours remaining, 234.882812 MB of memory in use. ENERGY: 3299400 4019.7808 20624.1157 14557.5730 249.3867 -203524.5259 2572.1907 0.0000 0.0000 52310.8567 -109190.6222 300.6312 -161501.4789 -108835.9229 299.8228 -50.6539 -18.0127 761320.5408 -17.0173 -16.9955 PRESSURE: 3299600 172.626 -41.6795 327.812 -41.6807 -391.96 35.2829 327.813 35.2843 253.929 GPRESSURE: 3299600 148.762 4.43704 350.651 -78.6713 -319.246 -29.4874 378.776 -15.9924 303.55 PRESSAVG: 3299600 -25.2689 -119.548 18.2038 -119.548 -12.3069 3.35038 18.2038 3.35043 21.2345 GPRESSAVG: 3299600 -25.9727 -118.957 18.311 -119.396 -12.0005 3.24214 19.9799 3.40014 20.7536 TIMING: 3299600 CPU: 10422.5, 0.00317092/step Wall: 10422.5, 0.00317092/step, 1.49773 hours remaining, 234.882812 MB of memory in use. ENERGY: 3299600 3957.9317 20629.7660 14474.6528 244.4998 -203392.8994 2826.8997 0.0000 0.0000 51966.4585 -109292.6909 298.6520 -161259.1494 -108929.1321 299.5264 11.5317 44.3556 762867.7334 -5.4471 -5.7399 PRESSURE: 3299800 -31.5589 37.462 8.7595 37.4621 -375.863 -87.856 8.7595 -87.8564 -321.046 GPRESSURE: 3299800 -40.2316 -78.135 -77.1581 115.193 -242.653 -77.2205 -206.036 6.31293 -352.121 PRESSAVG: 3299800 18.4846 13.2226 0.000738152 13.2225 -8.96085 55.6984 0.000724359 55.6984 -22.4074 GPRESSAVG: 3299800 17.7347 13.6985 0.146886 11.9564 -8.73487 55.8986 -2.79148 54.2695 -22.1719 TIMING: 3299800 CPU: 10423.1, 0.00315391/step Wall: 10423.1, 0.00315391/step, 1.48952 hours remaining, 234.882812 MB of memory in use. ENERGY: 3299800 4028.8276 20515.0673 14464.4444 248.4244 -202943.4043 2444.6233 0.0000 0.0000 51868.2102 -109373.8071 298.0873 -161242.0173 -109017.1340 299.3681 -242.8225 -211.6685 763276.2612 -4.2946 -4.3907 PRESSURE: 3300000 -141.184 -75.2741 -123.499 -75.2735 133.603 -38.4916 -123.499 -38.4925 -228.119 GPRESSURE: 3300000 -30.1198 -145.224 -114.296 -79.95 50.6469 31.9078 -135.254 -105.75 -160.912 PRESSAVG: 3300000 8.83225 -32.6521 13.156 -32.6521 -38.9945 45.3473 13.156 45.3474 1.47669 GPRESSAVG: 3300000 8.81226 -35.1287 12.4052 -31.444 -38.635 47.4385 14.4783 44.5928 1.84661 TIMING: 3300000 CPU: 10423.8, 0.00316977/step Wall: 10423.8, 0.00316976/step, 1.49683 hours remaining, 234.882812 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: 3300000 4049.0159 20500.6938 14473.2963 246.0537 -203230.4575 2525.0867 0.0000 0.0000 52116.6054 -109319.7057 299.5148 -161436.3112 -108958.5652 298.9193 -78.5667 -46.7949 762288.1985 -9.5618 -9.3254 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.1.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 258.115 35.5922 -124.012 35.5915 426.855 -8.67217 -124.012 -8.67202 196.074 GPRESSURE: 3300200 343.864 1.54428 -44.7701 46.8231 365.895 5.27147 -32.2031 -76.9948 253.875 PRESSAVG: 3300200 -20.6942 8.29891 -7.73798 8.29895 26.4767 33.4627 -7.73794 33.4628 21.1208 GPRESSAVG: 3300200 -20.8207 9.96261 -7.09133 7.72575 25.3705 31.5855 -8.24874 34.6817 22.5449 TIMING: 3300200 CPU: 10424.4, 0.00333624/step Wall: 10424.4, 0.00333624/step, 1.57526 hours remaining, 234.882812 MB of memory in use. ENERGY: 3300200 3963.6299 20376.1203 14473.0642 236.7768 -203144.6790 2686.5887 0.0000 0.0000 52176.6421 -109231.8570 299.8599 -161408.4991 -108867.8848 299.0744 293.6816 321.2115 761369.1566 8.9678 9.0316 LDB: ============= START OF LOAD BALANCING ============== 10437 LDB: ============== END OF LOAD BALANCING =============== 10437 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10437 LDB: ============= START OF LOAD BALANCING ============== 10437.3 LDB: Largest compute 7075 load 0.032466 is 16.6% of average load 0.195534 LDB: Average compute 0.004379 is 2.2% of average load 0.195534 LDB: TIME 10437.3 LOAD: AVG 0.195534 MAX 0.209699 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.965 MB LDB: TIME 10437.3 LOAD: AVG 0.195534 MAX 0.209699 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.004 MB LDB: TIME 10437.3 LOAD: AVG 0.195534 MAX 0.209699 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.004 MB LDB: ============== END OF LOAD BALANCING =============== 10437.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10437.3 PRESSURE: 3300400 -56.754 122.878 51.9007 122.878 314.721 -323.439 51.9005 -323.439 -273.791 GPRESSURE: 3300400 78.8596 0.114787 -5.46365 16.2052 273.997 -299.891 128.956 -84.1899 -267.516 PRESSAVG: 3300400 -4.48237 -39.04 -31.4139 -39.0399 2.20001 -39.3584 -31.4139 -39.3584 -18.6479 GPRESSAVG: 3300400 -3.02624 -37.3813 -33.043 -41.7588 2.63751 -40.0445 -28.7903 -38.4945 -20.1862 TIMING: 3300400 CPU: 10425.1, 0.00322418/step Wall: 10425.1, 0.00322418/step, 1.52217 hours remaining, 236.734375 MB of memory in use. ENERGY: 3300400 3975.1145 20607.0304 14496.5347 242.6419 -203315.9229 2694.1829 0.0000 0.0000 51892.3158 -109408.1026 298.2259 -161300.4185 -109056.1032 298.8393 -5.2745 28.4468 761969.2813 -6.9768 -6.8583 PRESSURE: 3300600 -294.008 113.502 115.634 113.501 9.43009 -223.776 115.634 -223.777 -119.533 GPRESSURE: 3300600 -244.093 30.8321 127.094 79.7765 73.0175 -199.959 -48.9278 -248.558 -146.619 PRESSAVG: 3300600 -55.337 28.7998 -13.5549 28.7997 47.4165 -10.9153 -13.5549 -10.9153 10.9334 GPRESSAVG: 3300600 -55.5773 26.3145 -13.6182 30.3832 48.4432 -8.6836 -14.6125 -11.8896 10.5347 TIMING: 3300600 CPU: 10425.7, 0.00317612/step Wall: 10425.7, 0.00317612/step, 1.49931 hours remaining, 236.937500 MB of memory in use. ENERGY: 3300600 3967.5775 20501.0604 14450.1862 258.9227 -203011.5727 2290.8870 0.0000 0.0000 52213.6270 -109329.3118 300.0724 -161542.9388 -108968.1863 299.0987 -134.7037 -105.8982 761515.7711 1.0043 1.1335 PRESSURE: 3300800 30.1034 -57.2385 -42.7939 -57.239 -163.015 22.1675 -42.7943 22.1689 506.147 GPRESSURE: 3300800 50.6381 36.684 48.87 -27.4764 -24.4295 41.2995 -44.254 28.5537 442.857 PRESSAVG: 3300800 -24.4416 -28.2822 -6.995 -28.2822 45.2114 -1.88387 -6.99502 -1.88389 6.46196 GPRESSAVG: 3300800 -24.3728 -26.8251 -6.65232 -26.0093 44.748 -3.17945 -6.65043 -1.63809 6.79984 TIMING: 3300800 CPU: 10426.3, 0.00319208/step Wall: 10426.3, 0.00319209/step, 1.50666 hours remaining, 236.937500 MB of memory in use. ENERGY: 3300800 3875.8616 20526.8201 14487.0290 251.7377 -203287.5768 2457.0062 0.0000 0.0000 52198.5465 -109490.5756 299.9858 -161689.1221 -109122.8344 299.5071 124.4116 156.3551 761822.6413 9.0773 9.0583 PRESSURE: 3301000 -348.821 -216.54 -200.49 -216.54 228.829 136.075 -200.49 136.074 124.31 GPRESSURE: 3301000 -231.439 -247.274 -226.328 -29.9519 173.927 78.0595 -182.049 208.732 132.972 PRESSAVG: 3301000 2.06666 -23.5195 42.2243 -23.5195 25.2522 -9.90903 42.2242 -9.90899 18.324 GPRESSAVG: 3301000 2.68517 -23.2837 42.8719 -21.9533 24.367 -9.01544 42.7257 -9.67617 19.0063 TIMING: 3301000 CPU: 10427, 0.00317513/step Wall: 10427, 0.00317513/step, 1.49848 hours remaining, 236.937500 MB of memory in use. ENERGY: 3301000 3954.3601 20549.9455 14431.4142 235.4259 -203499.5765 2707.9996 0.0000 0.0000 51843.7566 -109776.6746 297.9468 -161620.4312 -109420.7266 298.8343 1.4393 25.1532 761437.8819 15.2143 15.3528 PRESSURE: 3301200 70.642 -76.7036 -125.547 -76.7032 -178.674 -49.8746 -125.547 -49.8741 -38.7606 GPRESSURE: 3301200 108.502 -46.3792 -72.9303 -58.511 -67.2945 -126.676 -126.562 -91.2661 -70.1145 PRESSAVG: 3301200 2.22469 -23.5426 -28.8212 -23.5426 7.52281 -3.16009 -28.8212 -3.16018 5.60281 GPRESSAVG: 3301200 1.73095 -23.42 -28.8084 -23.5132 8.65369 -2.88921 -29.8686 -4.41401 4.91808 TIMING: 3301200 CPU: 10427.6, 0.00315217/step Wall: 10427.6, 0.00315217/step, 1.48747 hours remaining, 236.937500 MB of memory in use. ENERGY: 3301200 3886.6718 20539.9855 14416.2211 253.0729 -203370.8050 2657.9497 0.0000 0.0000 51993.5015 -109623.4025 298.8074 -161616.9040 -109257.8918 298.5370 -48.9307 -9.6357 761688.9035 5.1168 5.1009 PRESSURE: 3301400 159.597 -58.3586 -14.5845 -58.3582 472.157 -37.2403 -14.5835 -37.2409 -24.2672 GPRESSURE: 3301400 165.094 52.6028 -39.2064 -117.853 568.04 -45.8428 55.0568 -141.449 -38.2296 PRESSAVG: 3301400 -16.1709 -2.42853 -26.96 -2.42851 -5.63751 5.03525 -26.96 5.03524 1.86891 GPRESSAVG: 3301400 -16.5741 -1.7377 -28.103 -6.56149 -5.46599 4.31998 -25.8751 5.0523 2.05143 TIMING: 3301400 CPU: 10428.2, 0.00316133/step Wall: 10428.2, 0.00316133/step, 1.49162 hours remaining, 236.937500 MB of memory in use. ENERGY: 3301400 3979.3464 20464.8844 14393.9703 231.5426 -203719.8909 2843.4200 0.0000 0.0000 52203.1036 -109603.6236 300.0120 -161806.7272 -109240.7729 298.8296 202.4955 231.6348 760187.5930 -6.6465 -6.6629 PRESSURE: 3301600 -25.1547 -88.5877 56.8524 -88.5865 -66.6569 178.272 56.8523 178.274 -222.037 GPRESSURE: 3301600 56.7486 -52.8797 80.8726 -87.8647 30.4061 213.167 33.6592 221.824 -311.222 PRESSAVG: 3301600 -7.96569 77.3391 34.03 77.3391 29.7313 35.1542 34.03 35.1542 29.0492 GPRESSAVG: 3301600 -7.96839 75.5807 36.9933 80.2265 28.7525 36.2845 32.0079 35.8582 29.8213 TIMING: 3301600 CPU: 10428.9, 0.00315789/step Wall: 10428.9, 0.00315789/step, 1.48982 hours remaining, 236.937500 MB of memory in use. ENERGY: 3301600 3919.6554 20516.0231 14350.8798 230.1934 -203192.1278 2462.9613 0.0000 0.0000 52155.3609 -109557.0540 299.7376 -161712.4149 -109192.8232 298.9332 -104.6163 -74.6891 760874.1572 16.9383 16.8685 PRESSURE: 3301800 -157.676 -197.859 16.5711 -197.859 138.778 101.382 16.5714 101.383 377.919 GPRESSURE: 3301800 -128.554 -249.271 29.6134 -163.021 195.587 64.3316 66.9971 98.9749 376.617 PRESSAVG: 3301800 48.9296 -2.25967 4.7585 -2.25968 -36.8957 -7.0486 4.75844 -7.04859 4.639 GPRESSAVG: 3301800 48.8381 -2.32076 2.92826 -3.27279 -36.6524 -7.39614 5.98069 -7.34732 4.01079 TIMING: 3301800 CPU: 10429.5, 0.00316845/step Wall: 10429.5, 0.00316845/step, 1.49463 hours remaining, 236.937500 MB of memory in use. ENERGY: 3301800 3900.8742 20570.2055 14407.7038 231.4317 -203612.6018 2917.5718 0.0000 0.0000 52026.7999 -109558.0149 298.9987 -161584.8148 -109198.3853 298.7384 119.6740 147.8835 762645.6500 5.5576 5.3988 PRESSURE: 3302000 403.89 -59.6473 59.8897 -59.6478 -13.7798 -176.329 59.89 -176.328 172.83 GPRESSURE: 3302000 375.188 -14.5105 41.882 -29.7602 107.15 -74.7264 -2.86744 -187.849 160.341 PRESSAVG: 3302000 11.758 -39.7946 -23.8045 -39.7946 -0.224025 85.5276 -23.8044 85.5276 -5.18723 GPRESSAVG: 3302000 12.8475 -40.7961 -24.3512 -39.6231 -0.279577 86.3729 -24.1883 84.7989 -5.75627 TIMING: 3302000 CPU: 10430.1, 0.00318493/step Wall: 10430.1, 0.00318492/step, 1.50222 hours remaining, 236.937500 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: 3302000 3914.5436 20420.8975 14355.4339 231.6347 -203435.6425 2932.2431 0.0000 0.0000 52181.8452 -109399.0445 299.8898 -161580.8897 -109044.5433 298.9627 187.6466 214.2262 761224.5469 2.1156 2.2706 PRESSURE: 3302200 -98.3358 -187.412 126.657 -187.412 278.167 -113.909 126.658 -113.908 -191.981 GPRESSURE: 3302200 -117.919 -201.255 104.126 -172.102 301.146 -126.951 171.373 -67.8536 -120.958 PRESSAVG: 3302200 33.5323 -34.2824 10.881 -34.2824 -32.4563 10.3731 10.881 10.373 -10.877 GPRESSAVG: 3302200 31.0134 -31.7356 11.7897 -34.211 -31.5997 7.47411 11.4701 12.8831 -9.42362 TIMING: 3302200 CPU: 10430.8, 0.00315872/step Wall: 10430.8, 0.00315873/step, 1.48969 hours remaining, 236.937500 MB of memory in use. ENERGY: 3302200 3952.1399 20578.6625 14471.3902 232.4040 -203072.6903 2568.2331 0.0000 0.0000 51934.7558 -109335.1048 298.4698 -161269.8607 -108972.1552 299.4045 -4.0499 20.7564 762661.4306 -3.2670 -3.3366 PRESSURE: 3302400 -18.5528 72.6801 323.67 72.6804 123.231 -5.4131 323.669 -5.4129 556.133 GPRESSURE: 3302400 22.0097 144.476 280.352 -20.8039 120.217 -15.7045 234.22 62.7944 610.801 PRESSAVG: 3302400 -6.55432 15.7682 0.674848 15.7682 23.6769 -12.6008 0.674857 -12.6008 7.70048 GPRESSAVG: 3302400 -4.82967 13.8771 0.116549 16.8347 22.3208 -13.8883 -1.1025 -12.7354 7.18309 TIMING: 3302400 CPU: 10431.4, 0.00316471/step Wall: 10431.4, 0.00316471/step, 1.49234 hours remaining, 236.937500 MB of memory in use. ENERGY: 3302400 3943.0278 20432.6481 14468.0572 265.0196 -203220.1356 2567.9337 0.0000 0.0000 52266.8096 -109276.6397 300.3781 -161543.4492 -108908.5014 299.3284 220.2703 251.0092 761523.9050 8.2744 8.2247 PRESSURE: 3302600 23.5193 -24.4104 72.6485 -24.4107 -118.906 -133.549 72.6488 -133.549 336.474 GPRESSURE: 3302600 92.713 -13.9234 99.7077 65.747 -98.0606 -40.2814 58.5576 -178.954 332.128 PRESSAVG: 3302600 13.4599 16.063 -16.4537 16.063 -10.7743 9.83527 -16.4537 9.8354 17.1517 GPRESSAVG: 3302600 13.3815 16.9408 -16.7113 16.6711 -10.6382 10.7857 -14.447 9.60376 17.5935 TIMING: 3302600 CPU: 10432, 0.00317165/step Wall: 10432, 0.00317165/step, 1.49543 hours remaining, 236.937500 MB of memory in use. ENERGY: 3302600 3924.4804 20675.7040 14412.3275 231.8506 -203273.7691 2614.6174 0.0000 0.0000 51977.7812 -109437.0081 298.7170 -161414.7892 -109080.4256 299.3938 80.3626 108.9269 762550.7417 6.6124 6.7789 PRESSURE: 3302800 -265.07 132.962 117.804 132.963 215.565 -200.609 117.803 -200.609 91.1133 GPRESSURE: 3302800 -205.703 62.1811 54.6839 66.8814 228.994 -96.4501 108.229 -235.032 98.037 PRESSAVG: 3302800 -23.8975 25.9116 7.65719 25.9116 37.993 -12.3738 7.65716 -12.3738 6.92886 GPRESSAVG: 3302800 -23.514 25.5678 7.02691 25.6683 38.9993 -11.5049 8.97753 -13.5603 5.77263 TIMING: 3302800 CPU: 10432.7, 0.00316089/step Wall: 10432.7, 0.00316089/step, 1.49018 hours remaining, 236.937500 MB of memory in use. ENERGY: 3302800 3967.3296 20581.6990 14464.4971 238.8806 -203190.3448 2616.6308 0.0000 0.0000 52167.0234 -109154.2843 299.8046 -161321.3077 -108788.9264 299.3645 13.8696 40.4425 762204.3795 7.0081 7.0860 PRESSURE: 3303000 -126.027 -137.066 -120.352 -137.067 178.781 -7.75923 -120.352 -7.75893 -123.507 GPRESSURE: 3303000 -40.971 -162.113 -133.105 -155.736 75.5879 86.5926 -42.691 -20.8058 -17.4511 PRESSAVG: 3303000 -2.41043 7.24986 -13.1311 7.24984 -2.76085 -16.3149 -13.1311 -16.3149 4.66206 GPRESSAVG: 3303000 -2.84603 8.18556 -11.4339 7.42648 -2.76682 -14.6726 -17.2163 -15.7281 4.72725 TIMING: 3303000 CPU: 10433.3, 0.00319062/step Wall: 10433.3, 0.00319062/step, 1.50402 hours remaining, 236.937500 MB of memory in use. ENERGY: 3303000 3976.4268 20602.4131 14436.5605 226.1151 -203558.5472 2902.5541 0.0000 0.0000 52165.2216 -109249.2562 299.7942 -161414.4777 -108891.3006 299.3708 -23.5843 5.7219 764195.2536 -0.1697 -0.2952 PRESSURE: 3303200 -143.565 77.3069 46.8123 77.3073 -313.533 -383.808 46.8125 -383.808 -520.699 GPRESSURE: 3303200 -122.178 -47.5006 90.7278 136.35 -248.105 -298.619 -49.9888 -313.496 -515.274 PRESSAVG: 3303200 -62.4796 -7.15042 11.8928 -7.15039 -9.72152 70.0305 11.8928 70.0305 3.61247 GPRESSAVG: 3303200 -61.2369 -8.39389 11.6947 -7.70081 -11.3919 69.5257 12.3923 69.3185 3.7607 TIMING: 3303200 CPU: 10434, 0.00320626/step Wall: 10434, 0.00320626/step, 1.51122 hours remaining, 236.937500 MB of memory in use. ENERGY: 3303200 4040.2270 20416.1594 14466.2450 254.1189 -202792.5489 2280.8642 0.0000 0.0000 51895.7099 -109439.2246 298.2454 -161334.9345 -109063.0310 298.5742 -325.9326 -295.1858 763504.0858 -22.8629 -22.9560 PRESSURE: 3303400 -365.846 -74.5187 -40.8243 -74.5182 246.874 64.2017 -40.824 64.2021 115.074 GPRESSURE: 3303400 -279.1 -23.5936 -4.85185 6.88314 268.045 60.0153 -20.7611 -12.9109 114.305 PRESSAVG: 3303400 11.1031 -10.9709 -16.8758 -10.9709 -36.3848 19.7683 -16.8758 19.7684 -11.8935 GPRESSAVG: 3303400 8.16831 -9.31586 -17.6953 -11.7975 -33.6097 17.8291 -16.8511 21.0748 -11.1735 TIMING: 3303400 CPU: 10434.6, 0.00316708/step Wall: 10434.6, 0.00316708/step, 1.49257 hours remaining, 236.937500 MB of memory in use. ENERGY: 3303400 4002.7814 20804.9235 14409.7139 244.9168 -203071.8988 2420.2592 0.0000 0.0000 51754.6791 -109434.6248 297.4349 -161189.3040 -109086.7449 298.9456 -1.2995 34.4165 761010.7069 -12.3917 -12.2050 PRESSURE: 3303600 198.009 -9.66009 -251.255 -9.6593 437.374 230.938 -251.255 230.937 351.497 GPRESSURE: 3303600 318.035 -82.1784 -217.727 46.3318 381.9 148.477 -326.739 142.614 379.553 PRESSAVG: 3303600 -10.94 -19.3978 -35.6276 -19.3977 31.5535 -16.8228 -35.6275 -16.8228 6.96584 GPRESSAVG: 3303600 -9.02211 -18.7558 -36.0553 -20.1973 29.2247 -17.2404 -34.8515 -18.3285 7.42446 TIMING: 3303600 CPU: 10435.2, 0.00318588/step Wall: 10435.2, 0.00318588/step, 1.50126 hours remaining, 236.937500 MB of memory in use. ENERGY: 3303600 3924.0058 20692.0780 14470.3908 244.1868 -203727.1736 2878.6531 0.0000 0.0000 52061.0374 -109456.8217 299.1955 -161517.8591 -109105.9139 299.4294 328.9601 359.8293 760284.5795 9.1931 9.2090 PRESSURE: 3303800 113.484 -7.14819 -21.5503 -7.14896 -150.902 -259.941 -21.5499 -259.942 -259.578 GPRESSURE: 3303800 151.502 24.9662 -130.076 4.5158 -124.329 -312.052 -3.05941 -178.799 -218.175 PRESSAVG: 3303800 -0.826708 15.0515 25.5118 15.0515 47.5626 -12.3705 25.5118 -12.3705 -5.56853 GPRESSAVG: 3303800 -0.137671 12.8848 24.5035 16.2151 48.5202 -10.1071 26.0969 -11.4839 -6.75261 TIMING: 3303800 CPU: 10435.9, 0.00317983/step Wall: 10435.9, 0.00317983/step, 1.49823 hours remaining, 236.937500 MB of memory in use. ENERGY: 3303800 4082.5510 20434.0889 14451.1855 260.5218 -203263.8191 2475.8110 0.0000 0.0000 52171.5748 -109388.0861 299.8308 -161559.6609 -109020.0389 299.2414 -98.9989 -63.6673 760461.6442 13.7225 13.8766 PRESSURE: 3304000 -254.6 -67.8811 -114.731 -67.8808 74.4703 -61.23 -114.73 -61.229 340.386 GPRESSURE: 3304000 -175.708 -89.1325 -90.2349 66.7866 61.3642 -49.1341 -167.27 2.55664 347.809 PRESSAVG: 3304000 -24.5953 25.495 -33.3106 25.495 23.4371 -9.33503 -33.3106 -9.3351 6.38711 GPRESSAVG: 3304000 -24.9466 26.2019 -32.7078 26.1686 23.1506 -9.17663 -33.885 -8.8142 6.65884 TIMING: 3304000 CPU: 10436.5, 0.00320634/step Wall: 10436.5, 0.00320634/step, 1.51054 hours remaining, 236.937500 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: 3304000 3916.0874 20622.8541 14479.2953 252.1639 -203496.7930 2664.1532 0.0000 0.0000 52183.5421 -109378.6971 299.8995 -161562.2392 -109014.3907 299.3838 53.4187 77.8219 761868.2852 1.7430 1.6210 PRESSURE: 3304200 165.166 167.052 -295.351 167.052 64.9981 68.3097 -295.352 68.3089 364.425 GPRESSURE: 3304200 180.344 95.5489 -254.554 209.11 101.433 82.9857 -313.069 33.8755 403.353 PRESSAVG: 3304200 25.4779 20.3626 -8.96844 20.3626 42.2086 9.8066 -8.96845 9.80657 17.4985 GPRESSAVG: 3304200 24.5875 19.4796 -8.74204 20.1534 42.4177 8.75193 -8.0753 10.1421 18.3315 TIMING: 3304200 CPU: 10437.1, 0.00322738/step Wall: 10437.1, 0.00322738/step, 1.52027 hours remaining, 236.937500 MB of memory in use. ENERGY: 3304200 3958.1613 20650.1636 14430.5582 243.6806 -203866.5123 2897.9860 0.0000 0.0000 52386.6937 -109299.2690 301.0670 -161685.9627 -108945.7495 299.4586 198.1964 228.3768 760764.8690 28.3950 28.4456 LDB: ============= START OF LOAD BALANCING ============== 10449.7 LDB: ============== END OF LOAD BALANCING =============== 10449.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10449.7 LDB: ============= START OF LOAD BALANCING ============== 10450 LDB: Largest compute 7030 load 0.034271 is 17.5% of average load 0.195551 LDB: Average compute 0.004393 is 2.2% of average load 0.195551 LDB: TIME 10450 LOAD: AVG 0.195551 MAX 0.214483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.996 MB LDB: TIME 10450 LOAD: AVG 0.195551 MAX 0.214483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: TIME 10450 LOAD: AVG 0.195551 MAX 0.214483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.996 MB LDB: ============== END OF LOAD BALANCING =============== 10450 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10450 PRESSURE: 3304400 315.018 -64.8762 3.54286 -64.8767 -73.7262 -86.9143 3.54284 -86.9138 4.39403 GPRESSURE: 3304400 215.607 -20.9035 52.9421 -184.937 4.64373 17.242 40.0793 -88.3574 94.6103 PRESSAVG: 3304400 16.684 -22.5729 -57.2452 -22.5729 -36.6671 -1.46777 -57.2453 -1.4678 -6.62965 GPRESSAVG: 3304400 16.4525 -19.5023 -57.966 -24.5005 -36.9861 -0.324758 -58.9907 -4.09607 -6.15122 TIMING: 3304400 CPU: 10437.8, 0.00326526/step Wall: 10437.8, 0.00326526/step, 1.53794 hours remaining, 236.539062 MB of memory in use. ENERGY: 3304400 4032.0150 20543.0348 14407.1210 252.1743 -203599.4723 2813.2737 0.0000 0.0000 52212.6063 -109339.2472 300.0666 -161551.8535 -108972.4910 299.8180 81.8952 104.9537 762687.7098 -8.8709 -8.8949 PRESSURE: 3304600 77.0858 -10.8554 68.2505 -10.8563 -366.605 -64.0041 68.2507 -64.0049 -139.393 GPRESSURE: 3304600 95.7647 56.011 4.04882 -72.3921 -269.114 -74.0302 -102.545 -91.403 -167.641 PRESSAVG: 3304600 45.7068 -4.37225 -19.0536 -4.37226 -52.6111 -3.76662 -19.0536 -3.76663 3.33309 GPRESSAVG: 3304600 46.8276 -5.77471 -18.2955 -2.71861 -52.6711 -3.52181 -19.4179 -2.03821 2.15851 TIMING: 3304600 CPU: 10438.4, 0.00317844/step Wall: 10438.4, 0.00317844/step, 1.49687 hours remaining, 236.609375 MB of memory in use. ENERGY: 3304600 4004.1212 20767.5343 14466.7011 234.8731 -203144.1146 2499.7713 0.0000 0.0000 52229.4443 -108941.6693 300.1633 -161171.1136 -108580.6883 299.4365 -142.9709 -113.6632 763269.0659 -1.1904 -1.2283 PRESSURE: 3304800 249.959 212.598 -134.756 212.598 120.624 47.6824 -134.756 47.6817 61.8103 GPRESSURE: 3304800 191.276 225.021 -189.085 165.94 242.986 29.5897 -188.996 -72.3537 74.7777 PRESSAVG: 3304800 31.4599 -19.2393 -49.032 -19.2393 -36.1711 2.53075 -49.032 2.53073 -16.0274 GPRESSAVG: 3304800 31.2754 -20.5573 -49.3497 -19.8987 -36.1858 0.615267 -48.0335 2.45545 -15.5369 TIMING: 3304800 CPU: 10439.1, 0.00317446/step Wall: 10439.1, 0.00317446/step, 1.49482 hours remaining, 236.609375 MB of memory in use. ENERGY: 3304800 4031.7062 20609.4627 14507.2457 259.0109 -203045.5938 2513.3913 0.0000 0.0000 52241.1976 -108883.5795 300.2309 -161124.7770 -108526.3023 300.0566 144.1313 169.6799 764233.5725 -6.9128 -6.8158 PRESSURE: 3305000 -306.741 150.758 -109.645 150.757 -53.3595 46.1943 -109.646 46.1928 182.534 GPRESSURE: 3305000 -205.817 210.249 -189.542 169.994 32.1099 115.537 -144.724 89.777 71.6909 PRESSAVG: 3305000 26.2524 27.9714 0.56893 27.9714 -5.97847 13.6637 0.568941 13.6638 1.65746 GPRESSAVG: 3305000 25.9825 26.7872 -0.097676 29.9518 -5.61829 14.2441 -0.880164 12.459 1.82347 TIMING: 3305000 CPU: 10439.7, 0.00317476/step Wall: 10439.7, 0.00317476/step, 1.49478 hours remaining, 236.609375 MB of memory in use. ENERGY: 3305000 3988.2927 20601.2757 14504.6585 260.2970 -203356.9883 2677.6789 0.0000 0.0000 52253.8311 -109070.9544 300.3035 -161324.7855 -108715.3309 300.0436 -59.1891 -34.0054 762974.4805 7.3105 7.3959 PRESSURE: 3305200 -9.40454 70.4518 -76.4626 70.4521 18.1728 -60.8224 -76.4624 -60.8223 -368.868 GPRESSURE: 3305200 28.5988 -93.1225 -13.5687 141.908 95.5426 30.4263 -145.389 -7.03258 -386.247 PRESSAVG: 3305200 -31.2257 29.9009 1.65534 29.9009 21.8056 -2.6977 1.65543 -2.69776 -4.31989 GPRESSAVG: 3305200 -31.0355 29.3126 3.58249 30.7729 21.6255 -1.84865 0.314888 -0.374927 -4.33534 TIMING: 3305200 CPU: 10440.3, 0.00317429/step Wall: 10440.3, 0.00317429/step, 1.49439 hours remaining, 236.609375 MB of memory in use. ENERGY: 3305200 3981.9072 20521.4287 14436.9718 230.6344 -203118.2677 2749.9277 0.0000 0.0000 51994.8601 -109202.5378 298.8152 -161197.3979 -108847.4664 299.7843 -120.0332 -87.3686 763772.3501 -4.5800 -4.5818 PRESSURE: 3305400 97.817 -31.4774 -485.532 -31.4775 -211.926 58.9517 -485.533 58.9534 93.6802 GPRESSURE: 3305400 188.454 63.0102 -494.505 -8.42924 -211.305 115.598 -389.132 14.5754 88.3323 PRESSAVG: 3305400 27.8611 -17.8596 -46.4408 -17.8597 -48.5316 9.33279 -46.4408 9.33285 -2.54023 GPRESSAVG: 3305400 29.1946 -16.766 -47.0328 -19.6812 -47.7971 8.79805 -44.8485 8.11848 -4.19972 TIMING: 3305400 CPU: 10441, 0.0031838/step Wall: 10441, 0.0031838/step, 1.49869 hours remaining, 236.609375 MB of memory in use. ENERGY: 3305400 3985.2304 20621.5860 14434.8230 255.0892 -203124.8077 2659.9617 0.0000 0.0000 52106.7072 -109061.4102 299.4580 -161168.1174 -108693.7045 299.4880 -6.8097 21.8272 764460.0554 -7.7369 -7.6007 PRESSURE: 3305600 -37.5202 -49.4537 -53.5379 -49.4542 67.9097 210.817 -53.5379 210.817 -599.255 GPRESSURE: 3305600 -103.226 97.1087 -9.16492 -68.6667 83.6172 172.827 -5.46795 133.499 -442.385 PRESSAVG: 3305600 -11.351 22.2753 -2.47612 22.2753 -1.63256 -19.1549 -2.47613 -19.1549 -17.7626 GPRESSAVG: 3305600 -13.124 23.7089 -2.78457 22.8106 -1.79152 -19.3182 -2.1482 -20.5143 -15.4481 TIMING: 3305600 CPU: 10441.6, 0.00317612/step Wall: 10441.6, 0.00317612/step, 1.49489 hours remaining, 236.609375 MB of memory in use. ENERGY: 3305600 3996.3543 20491.1657 14472.5294 233.7991 -203507.8655 2837.1487 0.0000 0.0000 52381.9685 -109094.8998 301.0399 -161476.8683 -108729.5885 299.8698 -189.6219 -153.9979 762616.0477 -10.2487 -10.1212 PRESSURE: 3305800 -352.712 224.013 -78.0094 224.013 79.3526 -32.5436 -78.0105 -32.5427 20.331 GPRESSURE: 3305800 -374.171 196.178 -107.386 280.256 148.901 -75.4781 -85.7029 -57.2208 57.5615 PRESSAVG: 3305800 -42.8077 -10.4082 -10.0454 -10.4082 78.9366 -65.2987 -10.0454 -65.2988 8.63059 GPRESSAVG: 3305800 -41.9703 -11.1627 -8.99446 -10.0574 79.5647 -66.7476 -8.99492 -64.1722 7.64442 TIMING: 3305800 CPU: 10442.2, 0.00316784/step Wall: 10442.2, 0.00316784/step, 1.49082 hours remaining, 236.609375 MB of memory in use. ENERGY: 3305800 4044.7385 20680.0089 14473.3106 254.5310 -203093.9844 2509.1431 0.0000 0.0000 52015.7928 -109116.4596 298.9355 -161132.2523 -108759.1571 299.2637 -84.3427 -55.9027 763001.6460 14.9198 15.0796 PRESSURE: 3306000 -256.471 16.516 -60.5902 16.5162 73.8299 20.083 -60.59 20.0834 -117.674 GPRESSURE: 3306000 -200.081 24.5108 -57.108 53.5739 59.007 145.944 -135.832 -3.79025 -68.4095 PRESSAVG: 3306000 -33.1341 -4.2945 -18.9792 -4.29447 23.5385 5.00077 -18.9792 5.0008 -17.7506 GPRESSAVG: 3306000 -33.9788 -1.78442 -20.393 -6.54498 23.2986 6.20051 -21.6732 3.2761 -16.1835 TIMING: 3306000 CPU: 10442.9, 0.00315272/step Wall: 10442.9, 0.00315272/step, 1.48353 hours remaining, 236.609375 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: 3306000 4038.9121 20698.8997 14522.8850 242.5223 -203218.8304 2595.4106 0.0000 0.0000 52207.1495 -108913.0512 300.0352 -161120.2006 -108559.9256 299.5783 -100.1050 -69.8279 762835.3710 -9.1154 -8.9546 PRESSURE: 3306200 -244.011 71.8056 67.7799 71.8057 -128.301 241.668 67.78 241.668 -179.271 GPRESSURE: 3306200 -178.45 -73.4812 70.2027 -46.0735 -186.988 186.064 27.8288 185.198 -105.502 PRESSAVG: 3306200 -21.4539 -5.29256 -32.1356 -5.29268 3.81876 45.4198 -32.1355 45.4198 12.1278 GPRESSAVG: 3306200 -19.7608 -6.81687 -32.9791 -7.68831 2.04167 44.7063 -29.7358 46.1235 11.6365 TIMING: 3306200 CPU: 10443.5, 0.0031497/step Wall: 10443.5, 0.0031497/step, 1.48194 hours remaining, 236.609375 MB of memory in use. ENERGY: 3306200 4011.2009 20613.1645 14540.7411 248.7420 -202773.4172 2477.0948 0.0000 0.0000 52084.1873 -108798.2867 299.3285 -160882.4740 -108432.4470 300.3369 -183.8612 -156.9800 764381.7929 -1.8358 -2.0275 PRESSURE: 3306400 94.426 134.348 -42.1271 134.348 -67.79 152.189 -42.1282 152.189 347.172 GPRESSURE: 3306400 157.426 160.415 42.7937 127.312 -16.2836 143.9 -172.358 221.225 321.202 PRESSAVG: 3306400 -24.0715 20.7192 -21.7944 20.7192 -0.927449 5.33499 -21.7944 5.33495 -23.1222 GPRESSAVG: 3306400 -24.0311 19.6112 -20.7989 24.9788 -0.360824 5.50753 -22.4968 6.76586 -22.9203 TIMING: 3306400 CPU: 10444.1, 0.0031557/step Wall: 10444.1, 0.0031557/step, 1.48458 hours remaining, 236.609375 MB of memory in use. ENERGY: 3306400 3938.3253 20599.4848 14406.2488 251.7900 -202790.4325 2700.3668 0.0000 0.0000 52134.7317 -108759.4851 299.6190 -160894.2168 -108407.6984 300.2422 124.6025 154.1147 765050.4429 -16.0404 -15.7707 PRESSURE: 3306600 -32.8233 -115.149 -58.0467 -115.149 99.45 11.5439 -58.0467 11.5429 -129.914 GPRESSURE: 3306600 -27.5217 -36.9996 -98.2552 -72.3718 138.295 -77.6587 -55.7407 66.4029 -97.2521 PRESSAVG: 3306600 14.6224 -43.183 -1.7859 -43.1829 -24.5219 0.914521 -1.78591 0.914468 20.8207 GPRESSAVG: 3306600 14.6577 -43.4764 -2.25901 -42.0464 -23.2392 -0.37523 -2.02786 -0.41545 19.5819 TIMING: 3306600 CPU: 10444.8, 0.00315305/step Wall: 10444.8, 0.00315305/step, 1.48316 hours remaining, 236.609375 MB of memory in use. ENERGY: 3306600 3960.3212 20407.0884 14534.0696 253.6813 -202967.5964 2670.0692 0.0000 0.0000 52442.2467 -108700.1199 301.3863 -161142.3667 -108340.2001 300.6893 -21.0958 4.5071 762608.2341 3.6404 3.6668 PRESSURE: 3306800 -126.7 148.549 -188.38 148.549 90.4161 -251.366 -188.382 -251.366 115.984 GPRESSURE: 3306800 -28.3921 125.067 -208.155 216.972 68.3936 -256.451 -179.395 -191.978 118.396 PRESSAVG: 3306800 8.78645 8.9804 -2.65896 8.98045 23.9778 -39.7593 -2.65898 -39.7593 27.236 GPRESSAVG: 3306800 7.25834 8.35123 -2.59654 7.81639 24.253 -37.755 -3.11745 -38.8193 28.5783 TIMING: 3306800 CPU: 10445.4, 0.00315252/step Wall: 10445.4, 0.00315252/step, 1.48273 hours remaining, 236.609375 MB of memory in use. ENERGY: 3306800 3954.1074 20648.2155 14471.1619 232.7667 -203119.5025 2864.5567 0.0000 0.0000 52093.7648 -108854.9297 299.3836 -160948.6944 -108495.9508 300.6193 26.5669 52.7993 764004.0744 20.0001 20.0299 PRESSURE: 3307000 22.9837 56.5992 228.019 56.5982 41.7531 99.0341 228.02 99.0335 -410.119 GPRESSURE: 3307000 96.0584 148.371 221.786 -48.4762 76.7124 90.8523 202.514 83.8313 -443.927 PRESSAVG: 3307000 -34.2697 89.958 31.248 89.958 5.41259 -9.02281 31.248 -9.0228 17.9714 GPRESSAVG: 3307000 -32.484 91.383 31.0237 88.8843 3.82869 -10.8424 31.5231 -8.28315 17.5964 TIMING: 3307000 CPU: 10446, 0.00314485/step Wall: 10446, 0.00314485/step, 1.47895 hours remaining, 236.609375 MB of memory in use. ENERGY: 3307000 3931.3216 20402.1952 14462.3342 230.8028 -202982.1258 2639.8186 0.0000 0.0000 52395.6431 -108920.0103 301.1185 -161315.6534 -108560.8483 300.1583 -115.1275 -90.3853 764712.6163 -3.6286 -3.6863 PRESSURE: 3307200 102.386 201.721 -189.635 201.72 -58.4458 -79.2251 -189.635 -79.225 -524.581 GPRESSURE: 3307200 35.9262 206.718 -170.364 166.1 -13.5788 6.18446 -133.409 -24.5228 -424.432 PRESSAVG: 3307200 25.5307 59.812 16.5913 59.8119 -76.1835 -17.5829 16.5913 -17.5829 -0.765762 GPRESSAVG: 3307200 25.0102 58.0482 16.6651 60.7281 -76.1341 -16.3916 16.0763 -20.3528 -0.574151 TIMING: 3307200 CPU: 10446.7, 0.0031532/step Wall: 10446.7, 0.0031532/step, 1.4827 hours remaining, 236.609375 MB of memory in use. ENERGY: 3307200 4024.9829 20656.3021 14446.9679 254.9681 -202977.0672 2753.7080 0.0000 0.0000 52051.1731 -108788.9652 299.1388 -160840.1383 -108433.7823 300.0281 -160.2133 -134.0281 764245.8700 -17.1395 -17.2327 PRESSURE: 3307400 -71.0226 -13.7537 -376.839 -13.7534 -154.633 81.3179 -376.839 81.3184 -68.3856 GPRESSURE: 3307400 -26.1447 97.0165 -292.738 -95.4127 -152.046 116.415 -277.342 109.157 -37.1219 PRESSAVG: 3307400 42.4589 23.7527 3.86957 23.7527 -41.0169 11.8471 3.8696 11.8471 -25.5354 GPRESSAVG: 3307400 41.6172 26.0586 4.62513 22.7653 -39.5732 11.5896 5.03398 14.328 -26.3554 TIMING: 3307400 CPU: 10447.3, 0.0031591/step Wall: 10447.3, 0.0031591/step, 1.4853 hours remaining, 236.609375 MB of memory in use. ENERGY: 3307400 3995.7335 20432.1103 14463.6147 241.6640 -202826.7187 2658.4064 0.0000 0.0000 52242.7049 -108792.4849 300.2395 -161035.1897 -108422.5478 300.5790 -98.0139 -71.7709 763408.4286 -8.0311 -8.1038 PRESSURE: 3307600 -79.3488 -151.587 -205.921 -151.587 185.646 139.876 -205.922 139.876 -165.908 GPRESSURE: 3307600 -22.7939 -248.717 -257.818 -107.853 197.29 142.075 -256.082 170.947 -130.445 PRESSAVG: 3307600 26.0945 -20.9125 -9.30703 -20.9125 0.953677 20.2407 -9.30707 20.2407 23.0024 GPRESSAVG: 3307600 27.2963 -21.0009 -7.98958 -20.5239 -0.590135 20.0881 -12.52 19.3458 23.8005 TIMING: 3307600 CPU: 10447.9, 0.00314624/step Wall: 10447.9, 0.00314624/step, 1.47908 hours remaining, 236.609375 MB of memory in use. ENERGY: 3307600 3928.7889 20556.1609 14469.1499 226.7674 -203249.7576 2891.9670 0.0000 0.0000 52317.5265 -108859.3969 300.6695 -161176.9235 -108487.7900 300.3044 -19.8703 14.6839 762516.8512 16.6835 16.8355 PRESSURE: 3307800 -352.63 -112.494 -65.2712 -112.494 -72.669 -89.9146 -65.2716 -89.9148 -245.017 GPRESSURE: 3307800 -348.637 -52.0978 -5.15379 -159.537 29.3419 -39.5392 -82.8064 -108.581 -261.717 PRESSAVG: 3307800 6.16436 -23.2399 -2.04787 -23.2399 21.6517 42.7764 -2.04787 42.7763 -13.5954 GPRESSAVG: 3307800 6.46901 -23.4836 -3.52209 -21.7555 21.4925 42.4117 0.482933 43.6486 -13.7015 TIMING: 3307800 CPU: 10448.6, 0.00315538/step Wall: 10448.6, 0.00315538/step, 1.4832 hours remaining, 236.609375 MB of memory in use. ENERGY: 3307800 4053.6432 20509.8349 14507.4595 246.6624 -203331.1914 2551.3317 0.0000 0.0000 52427.6834 -109034.5763 301.3026 -161462.2596 -108666.5977 300.3042 -223.4385 -193.6706 761799.3893 4.7402 4.7534 PRESSURE: 3308000 26.8071 176.01 234.823 176.009 119.401 -35.4004 234.823 -35.3993 80.4806 GPRESSURE: 3308000 48.9742 126.401 254.496 59.4564 142.257 -160.921 124.303 50.6669 109.998 PRESSAVG: 3308000 -15.677 -76.5913 7.81146 -76.5913 22.6262 -27.3964 7.81152 -27.3964 -14.1514 GPRESSAVG: 3308000 -16.5102 -76.7097 7.49719 -77.8563 22.731 -28.364 7.37971 -26.9987 -13.4645 TIMING: 3308000 CPU: 10449.2, 0.00315258/step Wall: 10449.2, 0.00315258/step, 1.48171 hours remaining, 236.609375 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: 3308000 4005.5042 20700.3620 14456.9436 251.3652 -203134.0644 2533.0457 0.0000 0.0000 52293.8083 -108893.0354 300.5332 -161186.8437 -108526.9307 300.6044 75.5629 100.4095 761938.3844 -2.4008 -2.4146 PRESSURE: 3308200 58.6833 190.039 250.694 190.039 234.797 22.0473 250.695 22.0474 -46.8662 GPRESSURE: 3308200 126.706 178.969 335.828 285.562 229.368 70.1101 283.207 91.5366 12.2618 PRESSAVG: 3308200 -2.28435 -15.6218 -22.8832 -15.6218 36.9396 11.6891 -22.8833 11.6892 5.39329 GPRESSAVG: 3308200 -2.01884 -16.8731 -22.7919 -15.009 37.2096 13.499 -21.918 10.8756 4.94077 TIMING: 3308200 CPU: 10449.8, 0.00317287/step Wall: 10449.8, 0.00317287/step, 1.49107 hours remaining, 236.609375 MB of memory in use. ENERGY: 3308200 4029.6143 20601.8534 14443.4576 250.8456 -203162.9922 2756.0232 0.0000 0.0000 52331.6823 -108749.5159 300.7509 -161081.1982 -108382.5596 300.9150 82.2047 122.7785 763079.9760 13.3495 13.3772 LDB: ============= START OF LOAD BALANCING ============== 10462.4 LDB: ============== END OF LOAD BALANCING =============== 10462.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10462.4 LDB: ============= START OF LOAD BALANCING ============== 10462.7 LDB: Largest compute 7057 load 0.033159 is 17.0% of average load 0.195540 LDB: Average compute 0.004372 is 2.2% of average load 0.195540 LDB: TIME 10462.7 LOAD: AVG 0.19554 MAX 0.213521 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.594 MB LDB: TIME 10462.7 LOAD: AVG 0.19554 MAX 0.213521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: TIME 10462.7 LOAD: AVG 0.19554 MAX 0.213521 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: ============== END OF LOAD BALANCING =============== 10462.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10462.7 PRESSURE: 3308400 107.013 -149.257 -52.5141 -149.257 -64.4068 36.7591 -52.5139 36.759 493.984 GPRESSURE: 3308400 117.275 -143.694 -42.8278 -9.35948 -63.62 62.8021 -148.215 59.2916 566.81 PRESSAVG: 3308400 -37.1292 -1.06794 24.6621 -1.06792 6.10955 -49.2427 24.6622 -49.2427 26.0123 GPRESSAVG: 3308400 -37.2469 0.393077 24.1827 1.10891 5.8155 -48.7155 24.7518 -50.989 26.2019 TIMING: 3308400 CPU: 10450.5, 0.00323827/step Wall: 10450.5, 0.00323827/step, 1.52163 hours remaining, 238.078125 MB of memory in use. ENERGY: 3308400 3959.4577 20603.4574 14445.4875 225.0011 -203114.1718 2649.7159 0.0000 0.0000 52327.3051 -108903.7471 300.7257 -161231.0522 -108535.5672 300.6260 178.8637 206.8217 762282.8490 -1.6691 -1.7432 PRESSURE: 3308600 336.174 74.246 45.7778 74.2461 -120.963 -34.8217 45.7781 -34.8205 -81.2558 GPRESSURE: 3308600 283.742 52.7435 31.0113 60.3379 -74.3063 -29.9434 -27.0814 -36.3441 3.3857 PRESSAVG: 3308600 -19.5794 -23.4401 -35.6563 -23.4402 36.9476 -42.3395 -35.6563 -42.3394 1.42596 GPRESSAVG: 3308600 -20.6486 -23.2101 -35.0618 -25.3321 37.6184 -43.0131 -37.8037 -40.0892 1.99494 TIMING: 3308600 CPU: 10451.1, 0.00315834/step Wall: 10451.1, 0.00315834/step, 1.48389 hours remaining, 238.222656 MB of memory in use. ENERGY: 3308600 4019.0576 20695.0443 14441.5472 252.0549 -203023.2167 2508.7654 0.0000 0.0000 52340.8357 -108765.9117 300.8035 -161106.7474 -108402.6897 300.8401 44.6519 70.9404 761304.0471 6.2647 6.3216 PRESSURE: 3308800 331.51 -51.2918 -112.598 -51.291 -63.0367 -241.229 -112.597 -241.229 46.0512 GPRESSURE: 3308800 393.149 25.7916 -80.3517 -139.848 -54.2122 -234.171 -79.7747 -140.898 62.5541 PRESSAVG: 3308800 58.861 13.6202 -17.9419 13.6202 -52.1741 -33.0092 -17.9419 -33.0092 20.7046 GPRESSAVG: 3308800 59.1224 13.1797 -17.5976 12.3952 -51.9016 -34.1078 -17.2167 -33.1133 20.5456 TIMING: 3308800 CPU: 10451.7, 0.00315704/step Wall: 10451.7, 0.00315704/step, 1.48311 hours remaining, 238.222656 MB of memory in use. ENERGY: 3308800 3862.6202 20695.2854 14392.1684 246.1659 -202914.4031 2417.2462 0.0000 0.0000 52440.8254 -108860.0914 301.3781 -161300.9168 -108493.2004 300.5464 104.8417 133.8302 760946.4772 9.1305 9.2554 PRESSURE: 3309000 -221.083 -10.6459 125.202 -10.6453 -167.446 -100.605 125.201 -100.605 -47.0652 GPRESSURE: 3309000 -212.883 127.568 118.05 22.8745 -190.81 -103.004 208.884 -101.885 33.4964 PRESSAVG: 3309000 89.8211 3.13994 -30.3302 3.13988 -93.5976 -0.873211 -30.3301 -0.873146 -11.5745 GPRESSAVG: 3309000 89.9041 2.01478 -30.749 2.8295 -94.2907 0.52734 -28.4463 -2.12573 -11.1118 TIMING: 3309000 CPU: 10452.4, 0.0031391/step Wall: 10452.4, 0.0031391/step, 1.4745 hours remaining, 238.222656 MB of memory in use. ENERGY: 3309000 3921.4017 20531.4076 14405.6408 221.5331 -203039.6767 2307.8719 0.0000 0.0000 52468.3533 -109183.4683 301.5363 -161651.8216 -108808.8699 300.3299 -145.1982 -123.3989 762333.6317 -5.1170 -5.1661 PRESSURE: 3309200 11.7751 -2.77008 145.274 -2.76995 -18.0044 278.511 145.274 278.511 21.3693 GPRESSURE: 3309200 23.8913 20.0287 82.1752 4.2544 7.01176 295.658 284.927 173.56 66.331 PRESSAVG: 3309200 32.7739 23.482 3.30582 23.4819 -31.2839 -14.7059 3.30587 -14.7059 -22.8729 GPRESSAVG: 3309200 32.8105 21.1975 4.60412 26.5141 -31.3969 -14.4932 2.6666 -15.319 -22.9538 TIMING: 3309200 CPU: 10453, 0.00314624/step Wall: 10453, 0.00314624/step, 1.47769 hours remaining, 238.417969 MB of memory in use. ENERGY: 3309200 3998.6168 20498.3382 14456.7204 258.6141 -202973.5956 2645.3810 0.0000 0.0000 51881.8974 -109234.0276 298.1660 -161115.9250 -108876.3207 299.7574 5.0467 32.4114 764132.6426 -7.1277 -7.1801 PRESSURE: 3309400 -456.109 -13.9175 -219.522 -13.9182 69.2283 -25.9803 -219.522 -25.9801 -68.4117 GPRESSURE: 3309400 -320.481 -43.5333 -141.203 -29.297 27.7559 11.7366 -243.637 -54.4309 -73.8041 PRESSAVG: 3309400 55.453 -13.6493 -27.1332 -13.6493 -20.0717 43.1642 -27.1333 43.1643 7.87914 GPRESSAVG: 3309400 55.3734 -9.63909 -29.0586 -15.4763 -20.2176 44.3281 -27.6278 42.8534 8.5831 TIMING: 3309400 CPU: 10453.6, 0.00315514/step Wall: 10453.6, 0.00315514/step, 1.48169 hours remaining, 238.417969 MB of memory in use. ENERGY: 3309400 3956.4134 20470.3469 14392.5676 238.1931 -203182.0090 2519.5714 0.0000 0.0000 52425.9958 -109178.9208 301.2929 -161604.9166 -108817.0289 299.3618 -151.7640 -122.1762 762643.3758 14.4201 14.5796 PRESSURE: 3309600 449.187 118.14 151.697 118.141 -272.001 -160.141 151.697 -160.141 77.0642 GPRESSURE: 3309600 382.386 22.498 184.768 101.97 -144.701 -204.749 150.444 6.56636 86.266 PRESSAVG: 3309600 -5.99036 -7.56142 -4.90147 -7.56145 -58.084 -39.966 -4.90144 -39.9659 4.49712 GPRESSAVG: 3309600 -4.58782 -8.13674 -3.22388 -8.29361 -57.8302 -41.123 -4.72615 -39.3516 2.48727 TIMING: 3309600 CPU: 10454.2, 0.0031501/step Wall: 10454.2, 0.0031501/step, 1.47915 hours remaining, 238.417969 MB of memory in use. ENERGY: 3309600 3986.8172 20665.2082 14370.9339 233.9441 -203199.6566 2574.9548 0.0000 0.0000 52202.5329 -109165.2656 300.0087 -161367.7984 -108800.8275 299.6286 84.7501 107.9837 762562.7306 -19.8591 -19.9769 PRESSURE: 3309800 112.668 75.4665 -63.5941 75.4672 70.2479 -30.3549 -63.5934 -30.3556 134.133 GPRESSURE: 3309800 63.5128 -8.27346 2.11676 88.0905 170.958 2.44772 31.6548 -33.4434 187.296 PRESSAVG: 3309800 -2.9588 0.966059 -19.1258 0.966074 18.4133 -17.9043 -19.1258 -17.9043 -7.12767 GPRESSAVG: 3309800 -4.16239 0.142939 -18.4353 2.87648 18.7201 -18.5282 -18.5718 -15.7334 -5.7163 TIMING: 3309800 CPU: 10454.9, 0.00314719/step Wall: 10454.9, 0.00314719/step, 1.47761 hours remaining, 238.527344 MB of memory in use. ENERGY: 3309800 3947.6837 20601.2158 14420.2111 253.7153 -204035.2697 3215.8154 0.0000 0.0000 52076.9980 -109519.6305 299.2872 -161596.6285 -109156.3561 299.8117 105.6831 140.5892 760544.4231 2.7756 2.9471 PRESSURE: 3310000 -293.071 30.14 78.8126 30.1389 40.1621 114.475 78.8116 114.475 98.3261 GPRESSURE: 3310000 -275.812 91.4122 67.011 84.4444 3.22906 85.9206 40.9653 130.993 208.035 PRESSAVG: 3310000 -37.2941 12.8858 -31.9879 12.8858 59.8702 -26.04 -31.988 -26.04 19.7092 GPRESSAVG: 3310000 -35.9138 14.7598 -33.3777 11.0253 59.3616 -25.0821 -32.5228 -27.9076 18.8699 TIMING: 3310000 CPU: 10455.5, 0.00314901/step Wall: 10455.5, 0.00314901/step, 1.47829 hours remaining, 238.527344 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: 3310000 3957.7761 20597.4354 14481.6593 273.1579 -203612.3332 2785.6826 0.0000 0.0000 52012.1285 -109504.4934 298.9144 -161516.6219 -109139.9334 299.1363 -51.5276 -21.5160 764063.8541 14.0951 14.1059 PRESSURE: 3310200 -190.494 -67.4511 -85.8857 -67.4509 49.8523 -212.978 -85.8846 -212.979 -131.989 GPRESSURE: 3310200 -142.881 65.2692 -64.9386 17.5315 -7.57727 -112.62 -28.8431 -223.016 -34.1354 PRESSAVG: 3310200 -31.3026 -14.322 -37.8053 -14.322 28.712 -21.918 -37.8053 -21.9179 19.1079 GPRESSAVG: 3310200 -31.7095 -17.4779 -38.3478 -13.0139 28.1403 -22.4358 -37.813 -20.52 19.797 TIMING: 3310200 CPU: 10456.1, 0.00314026/step Wall: 10456.1, 0.00314026/step, 1.474 hours remaining, 238.527344 MB of memory in use. ENERGY: 3310200 4018.7659 20638.0937 14423.9721 254.5999 -203489.8852 2747.9838 0.0000 0.0000 51920.7510 -109485.7188 298.3893 -161406.4699 -109123.8635 298.9180 -90.8768 -61.5314 763589.0037 5.5058 5.4093 PRESSURE: 3310400 14.6361 0.976369 22.8414 0.97607 -161.03 46.435 22.842 46.4341 139.651 GPRESSURE: 3310400 43.86 -61.3216 56.6414 18.1101 -96.8317 21.583 29.7445 102.552 129.351 PRESSAVG: 3310400 -14.2163 29.3033 -18.287 29.3034 13.3854 2.20605 -18.2869 2.20605 -16.1667 GPRESSAVG: 3310400 -13.5042 29.9095 -16.6404 28.839 12.6136 0.727753 -18.9708 1.63245 -16.2396 TIMING: 3310400 CPU: 10456.8, 0.00314812/step Wall: 10456.8, 0.00314812/step, 1.47752 hours remaining, 238.527344 MB of memory in use. ENERGY: 3310400 4017.9776 20568.8069 14489.3275 226.1749 -203606.0115 2659.1657 0.0000 0.0000 52005.8083 -109638.7505 298.8781 -161644.5589 -109277.6294 299.1824 -2.2478 25.4598 761478.1306 -5.6659 -5.7101 PRESSURE: 3310600 -13.72 133.88 -58.7101 133.879 -297.204 60.1543 -58.7111 60.1547 -148.196 GPRESSURE: 3310600 -56.7132 73.5589 -159.713 155.724 -165.394 21.4036 -62.5824 54.6589 -142.967 PRESSAVG: 3310600 46.2062 -43.464 -2.39569 -43.464 9.76641 23.2106 -2.39578 23.2107 -6.29436 GPRESSAVG: 3310600 45.7428 -42.6922 -3.78032 -44.6155 10.5471 25.1192 -2.08242 21.1128 -6.59949 TIMING: 3310600 CPU: 10457.4, 0.00313326/step Wall: 10457.4, 0.00313326/step, 1.47037 hours remaining, 238.527344 MB of memory in use. ENERGY: 3310600 3949.3566 20477.8119 14530.3777 246.1259 -203801.0290 2691.3047 0.0000 0.0000 52261.1169 -109644.9353 300.3454 -161906.0522 -109284.7317 299.3770 -153.0399 -121.6915 762233.7956 16.5594 16.5635 PRESSURE: 3310800 -262.916 -31.7394 35.9341 -31.7387 -71.9928 159.425 35.9341 159.425 -86.7433 GPRESSURE: 3310800 -226.819 -79.16 98.6439 91.3756 -40.6881 101.744 -1.90847 130.022 -76.7176 PRESSAVG: 3310800 1.70398 -60.5755 8.89017 -60.5755 26.5795 0.338236 8.89022 0.338219 17.0885 GPRESSAVG: 3310800 2.69595 -61.1526 9.69887 -59.5292 26.1655 -0.731562 9.34824 1.95344 16.4757 TIMING: 3310800 CPU: 10458, 0.00313777/step Wall: 10458, 0.00313777/step, 1.47231 hours remaining, 238.527344 MB of memory in use. ENERGY: 3310800 4020.2482 20564.1285 14462.8879 249.2763 -203883.5614 2890.0941 0.0000 0.0000 51998.7566 -109698.1699 298.8376 -161696.9265 -109339.9050 299.2062 -140.5507 -114.7416 763503.3657 15.1240 15.1124 PRESSURE: 3311000 143.95 -15.4555 39.0855 -15.456 204.636 1.92362 39.0865 1.92403 -79.0941 GPRESSURE: 3311000 258.961 -74.8312 -16.1724 12.8087 115.773 31.1508 122.348 -209.187 -24.8154 PRESSAVG: 3311000 -21.5422 -59.9899 -7.44816 -59.99 38.7139 -26.2133 -7.44808 -26.2133 17.6087 GPRESSAVG: 3311000 -21.6542 -60.779 -7.24153 -58.3032 39.6825 -25.2014 -7.83894 -26.6154 16.6617 TIMING: 3311000 CPU: 10458.6, 0.00312544/step Wall: 10458.6, 0.00312544/step, 1.46635 hours remaining, 238.527344 MB of memory in use. ENERGY: 3311000 3916.8292 20279.8589 14477.2010 242.7621 -203610.2794 2745.0296 0.0000 0.0000 52253.8990 -109694.6997 300.3039 -161948.5987 -109322.6130 298.7218 89.8305 116.6395 762300.9667 11.5935 11.5633 PRESSURE: 3311200 -235.045 156.933 -17.3815 156.932 208.24 -205.213 -17.3814 -205.214 -104.235 GPRESSURE: 3311200 -208.92 157.628 62.6057 33.222 273.464 -226.148 -71.0749 -243.587 -120.741 PRESSAVG: 3311200 -39.3406 -22.0226 1.12801 -22.0226 14.0907 -62.4003 1.12804 -62.4002 -8.24895 GPRESSAVG: 3311200 -39.2563 -23.5092 1.02754 -25.0914 12.7175 -61.8228 3.56811 -63.7008 -6.95962 TIMING: 3311200 CPU: 10459.3, 0.00314188/step Wall: 10459.3, 0.00314188/step, 1.47389 hours remaining, 238.527344 MB of memory in use. ENERGY: 3311200 3991.9424 20457.4950 14489.8929 243.3993 -203580.2487 2829.1156 0.0000 0.0000 51855.9616 -109712.4419 298.0169 -161568.4036 -109349.3893 298.7807 -43.6799 -18.7324 762053.7551 -11.1663 -11.1661 PRESSURE: 3311400 -71.9021 28.5411 89.9254 28.5416 -402.413 246.476 89.9245 246.474 -127.816 GPRESSURE: 3311400 -187.015 -30.3169 -23.4483 6.55689 -300.446 313.63 65.8338 199.632 -37.0624 PRESSAVG: 3311400 -38.591 1.7633 9.32179 1.76328 33.1769 -4.00481 9.32187 -4.00476 -2.25753 GPRESSAVG: 3311400 -39.0018 3.95751 7.01918 3.7091 32.4217 -5.18033 9.54836 -3.47038 -1.25012 TIMING: 3311400 CPU: 10459.9, 0.00315493/step Wall: 10459.9, 0.00315493/step, 1.47984 hours remaining, 238.527344 MB of memory in use. ENERGY: 3311400 3935.4838 20430.4147 14494.4309 242.4677 -203632.1862 2765.0548 0.0000 0.0000 52025.9010 -109738.4333 298.9936 -161764.3343 -109373.1353 298.8200 -200.7104 -174.8410 764097.7095 -2.5572 -2.6101 PRESSURE: 3311600 -8.79538 137.01 323.605 137.011 114.121 -38.387 323.606 -38.3866 59.6287 GPRESSURE: 3311600 14.9969 210.94 392.485 117.556 212.149 -36.4598 266.078 45.6624 56.8596 PRESSAVG: 3311600 3.1733 30.2209 -37.4812 30.2209 15.9451 24.9701 -37.4813 24.97 18.7098 GPRESSAVG: 3311600 3.31668 28.5788 -35.6864 31.613 17.0576 26.3203 -39.3023 26.1357 18.3056 TIMING: 3311600 CPU: 10460.5, 0.00316553/step Wall: 10460.5, 0.00316553/step, 1.48463 hours remaining, 238.527344 MB of memory in use. ENERGY: 3311600 3967.6776 20428.1904 14397.1056 223.3717 -203591.6292 2911.6535 0.0000 0.0000 51756.8640 -109906.7664 297.4474 -161663.6304 -109555.1133 298.0771 54.9848 94.6685 762522.2621 12.6094 12.8933 PRESSURE: 3311800 87.4251 -182.913 -116.886 -182.913 -274.662 -313.57 -116.886 -313.571 -309.474 GPRESSURE: 3311800 96.2897 -182.438 -94.5306 -219.109 -161.917 -311.277 -25.5911 -207.065 -352.281 PRESSAVG: 3311800 19.3103 -24.1721 68.2395 -24.1721 -17.919 6.09067 68.2395 6.09062 23.017 GPRESSAVG: 3311800 19.5424 -21.7314 66.5708 -25.1827 -16.8511 4.75304 69.2029 5.55029 21.4316 TIMING: 3311800 CPU: 10461.2, 0.0031694/step Wall: 10461.2, 0.0031694/step, 1.48627 hours remaining, 238.527344 MB of memory in use. ENERGY: 3311800 3946.2484 20415.4962 14487.9291 250.2246 -203132.3792 2412.7150 0.0000 0.0000 51943.3958 -109676.3701 298.5194 -161619.7658 -109322.0770 298.5486 -165.5702 -139.3030 765135.7905 8.1361 8.0410 PRESSURE: 3312000 144.586 288.439 136.654 288.439 74.89 67.6587 136.655 67.6582 -308.29 GPRESSURE: 3312000 154.309 264.55 162.264 232.895 27.3295 34.1439 27.997 113.508 -208.016 PRESSAVG: 3312000 28.2091 4.98814 -11.0767 4.98826 -11.033 -41.1544 -11.0768 -41.1544 -3.03594 GPRESSAVG: 3312000 27.6654 3.2443 -8.42226 4.17627 -11.7084 -41.7144 -10.5534 -39.9123 -1.64429 TIMING: 3312000 CPU: 10461.8, 0.00316429/step Wall: 10461.8, 0.00316429/step, 1.4837 hours remaining, 238.527344 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: 3312000 3930.5646 20397.3377 14487.2901 249.9203 -203745.1971 2716.7193 0.0000 0.0000 52090.0889 -109873.2763 299.3625 -161963.3652 -109506.3486 298.2571 -29.6049 -8.7926 762730.4395 4.7134 4.7709 PRESSURE: 3312200 -166.196 21.6864 -117.812 21.6868 -2.7925 -105.103 -117.812 -105.103 337.591 GPRESSURE: 3312200 -61.5725 70.6002 -66.2869 -1.39506 18.965 -103.354 -108.044 -20.9096 312.738 PRESSAVG: 3312200 -21.1403 -1.14068 26.0352 -1.14075 -9.42698 -10.3894 26.0352 -10.3894 21.4535 GPRESSAVG: 3312200 -20.872 -1.55954 26.4964 -0.332383 -9.56842 -8.95313 23.9211 -11.1904 20.8281 TIMING: 3312200 CPU: 10462.4, 0.0031646/step Wall: 10462.4, 0.0031646/step, 1.48367 hours remaining, 238.527344 MB of memory in use. ENERGY: 3312200 3968.9913 20302.5467 14454.6019 260.6991 -203527.7017 2746.7015 0.0000 0.0000 51969.4820 -109824.6792 298.6693 -161794.1612 -109463.7476 298.1354 56.2008 90.0436 762399.5860 -3.0379 -3.2041 LDB: ============= START OF LOAD BALANCING ============== 10475 LDB: ============== END OF LOAD BALANCING =============== 10475 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10475 LDB: ============= START OF LOAD BALANCING ============== 10475.3 LDB: Largest compute 7030 load 0.032903 is 16.8% of average load 0.195627 LDB: Average compute 0.004366 is 2.2% of average load 0.195627 LDB: TIME 10475.3 LOAD: AVG 0.195627 MAX 0.21502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.367 MB LDB: TIME 10475.3 LOAD: AVG 0.195627 MAX 0.21502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.367 MB LDB: TIME 10475.3 LOAD: AVG 0.195627 MAX 0.21502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.367 MB LDB: ============== END OF LOAD BALANCING =============== 10475.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10475.3 PRESSURE: 3312400 140.521 220.098 13.5973 220.098 -122.146 -200.896 13.5962 -200.897 50.6304 GPRESSURE: 3312400 122.611 200.772 -40.0312 198.048 10.8282 -268.757 10.5232 -202.455 31.089 PRESSAVG: 3312400 -2.7942 -0.352098 -4.60406 -0.35216 -16.4473 50.4336 -4.60408 50.4336 -3.67265 GPRESSAVG: 3312400 -3.33264 1.26421 -4.57108 0.189543 -16.0682 49.6373 -2.57836 51.3792 -3.91815 TIMING: 3312400 CPU: 10463.1, 0.00324122/step Wall: 10463.1, 0.00324122/step, 1.51941 hours remaining, 235.183594 MB of memory in use. ENERGY: 3312400 3946.9440 20512.0762 14470.2970 256.0536 -203068.4607 2437.9828 0.0000 0.0000 51770.9066 -109674.2005 297.5281 -161445.1071 -109315.9907 298.9514 23.0019 54.8428 763083.4370 -7.6381 -7.7730 PRESSURE: 3312600 383.847 -31.6169 122.525 -31.6182 26.8735 25.6868 122.526 25.6871 466.192 GPRESSURE: 3312600 396.812 17.3299 84.6346 -33.3899 135.627 49.1101 -3.02969 -8.35554 430.224 PRESSAVG: 3312600 -42.1188 3.97927 -15.4241 3.97928 -4.60781 9.68578 -15.424 9.68576 7.80366 GPRESSAVG: 3312600 -43.3451 2.90859 -17.0993 3.49747 -4.24882 10.8518 -16.3759 9.52199 8.88985 TIMING: 3312600 CPU: 10463.7, 0.00317679/step Wall: 10463.7, 0.00317679/step, 1.48903 hours remaining, 235.183594 MB of memory in use. ENERGY: 3312600 3970.2786 20544.6736 14473.3774 246.6245 -203584.2207 2821.7455 0.0000 0.0000 51980.5969 -109546.9243 298.7332 -161527.5212 -109191.9983 298.5519 292.3040 320.8877 760592.6011 -12.9743 -12.9014 PRESSURE: 3312800 109.088 21.543 169.476 21.5437 143.957 133.699 169.477 133.698 184.567 GPRESSURE: 3312800 130.753 51.1202 91.2611 -57.6312 173.421 120.493 93.7655 134.663 236.945 PRESSAVG: 3312800 -7.48122 20.4476 35.7189 20.4476 54.2352 -7.84021 35.7189 -7.8403 -7.61279 GPRESSAVG: 3312800 -6.70559 21.4898 37.0804 19.5075 53.2852 -8.93813 34.9498 -6.45368 -7.09085 TIMING: 3312800 CPU: 10464.3, 0.0031359/step Wall: 10464.3, 0.0031359/step, 1.46969 hours remaining, 235.386719 MB of memory in use. ENERGY: 3312800 4043.8667 20465.4719 14526.2272 247.9749 -203724.0481 2833.1761 0.0000 0.0000 52311.3670 -109295.9642 300.6341 -161607.3312 -108927.2167 299.2677 145.8710 180.3729 760472.8444 13.0471 13.1629 PRESSURE: 3313000 -148.271 129.71 -4.7373 129.71 10.3794 -126.459 -4.73809 -126.459 -212.609 GPRESSURE: 3313000 -221.526 39.0752 5.05396 154.543 57.9293 -105.812 85.4236 -214.362 -112.486 PRESSAVG: 3313000 -17.4441 60.3883 4.70288 60.3883 15.8088 -48.7576 4.70285 -48.7576 14.7579 GPRESSAVG: 3313000 -17.4943 58.3623 3.94773 62.3626 16.1336 -47.615 6.97556 -50.3734 14.7382 TIMING: 3313000 CPU: 10465, 0.00315144/step Wall: 10465, 0.00315144/step, 1.4768 hours remaining, 235.386719 MB of memory in use. ENERGY: 3313000 4022.7205 20409.2997 14405.2871 245.9019 -202926.9227 2542.3080 0.0000 0.0000 52177.4810 -109123.9245 299.8647 -161301.4055 -108763.8557 299.7093 -116.8334 -92.0275 762543.6390 4.3742 4.4592 PRESSURE: 3313200 -413.564 -49.8085 -206.163 -49.8089 54.4653 12.4834 -206.163 12.4825 -163.092 GPRESSURE: 3313200 -324.913 -156.874 -245.638 -32.8872 107.716 -42.6358 -123.217 64.1858 -228.648 PRESSAVG: 3313200 32.7954 15.3576 -35.2481 15.3576 -8.56762 -36.7694 -35.248 -36.7694 8.92693 GPRESSAVG: 3313200 32.908 15.6888 -35.5737 14.4613 -7.66923 -40.1508 -36.4503 -36.0117 7.29283 TIMING: 3313200 CPU: 10465.6, 0.00317365/step Wall: 10465.6, 0.00317365/step, 1.48703 hours remaining, 235.386719 MB of memory in use. ENERGY: 3313200 3948.4616 20549.4632 14411.2702 240.5934 -202986.0425 2485.1063 0.0000 0.0000 52145.5884 -109205.5594 299.6814 -161351.1478 -108839.3294 299.8244 -174.0636 -148.6150 763413.9061 11.0516 10.8439 PRESSURE: 3313400 -167.032 0.858282 343.491 0.858348 138.463 21.6311 343.491 21.6313 523.396 GPRESSURE: 3313400 -33.2696 102.253 343.592 -78.4417 113.643 108.789 351.681 94.4017 496.049 PRESSAVG: 3313400 -51.7873 56.5264 23.6962 56.5264 39.435 18.9404 23.6962 18.9403 -29.4236 GPRESSAVG: 3313400 -51.4208 57.2238 25.4291 55.2191 38.4868 20.8116 23.8904 16.8948 -29.133 TIMING: 3313400 CPU: 10466.2, 0.00316115/step Wall: 10466.2, 0.00316115/step, 1.481 hours remaining, 235.386719 MB of memory in use. ENERGY: 3313400 3902.5270 20733.7553 14436.6608 239.6229 -203634.6466 2989.1466 0.0000 0.0000 52089.2587 -109243.6753 299.3577 -161332.9340 -108889.6303 299.8481 164.9425 192.1410 762084.9490 -13.9253 -14.0223 PRESSURE: 3313600 -576.927 -13.1414 -289.559 -13.1415 -72.9729 93.109 -289.559 93.109 100.657 GPRESSURE: 3313600 -482.312 63.2322 -336.156 -83.5071 -55.5162 44.8266 -227.167 265.813 92.452 PRESSAVG: 3313600 -1.68658 0.708993 13.5368 0.70905 21.4913 24.186 13.5369 24.186 0.565933 GPRESSAVG: 3313600 -2.08589 2.35657 13.3942 1.26631 22.2888 25.0233 13.2819 25.633 0.715136 TIMING: 3313600 CPU: 10466.9, 0.00315401/step Wall: 10466.9, 0.00315401/step, 1.47748 hours remaining, 235.386719 MB of memory in use. ENERGY: 3313600 4033.3513 20369.5052 14508.5230 271.0194 -203346.9699 2571.8699 0.0000 0.0000 52273.9186 -109318.7825 300.4189 -161592.7011 -108960.5046 299.7331 -183.0809 -148.4587 763420.7147 6.7902 6.9727 PRESSURE: 3313800 24.533 76.1548 -119.067 76.1546 263.091 -71.0403 -119.067 -71.0395 304.974 GPRESSURE: 3313800 83.6593 -33.0741 -179.343 142.324 217.546 17.3648 -207.823 -119.272 366.958 PRESSAVG: 3313800 -5.86468 51.6719 -1.12398 51.672 -0.700612 36.3616 -1.12399 36.3617 2.77242 GPRESSAVG: 3313800 -5.42009 48.3921 -4.38415 53.7681 -1.45564 35.8553 -2.17738 36.9233 3.19445 TIMING: 3313800 CPU: 10467.5, 0.00317365/step Wall: 10467.5, 0.00317365/step, 1.4865 hours remaining, 235.386719 MB of memory in use. ENERGY: 3313800 3943.8098 20383.1858 14483.9233 232.0096 -203352.8174 2803.8233 0.0000 0.0000 52059.9833 -109446.0823 299.1894 -161506.0656 -109070.0663 299.6551 197.5327 222.7213 762037.6215 -1.2643 -1.2271 PRESSURE: 3314000 -158.689 80.3945 238.151 80.395 -49.2356 51.9887 238.151 51.9888 -158.192 GPRESSURE: 3314000 -92.1613 9.21085 257.455 90.3162 -6.4184 -15.7606 187.839 -73.9448 -186.74 PRESSAVG: 3314000 -45.2523 17.1553 10.6793 17.1553 59.8872 13.0228 10.6793 13.0228 12.8311 GPRESSAVG: 3314000 -46.4125 19.1519 12.915 16.3754 61.2535 13.6136 8.96367 10.8676 12.9113 TIMING: 3314000 CPU: 10468.1, 0.00316843/step Wall: 10468.1, 0.00316843/step, 1.48388 hours remaining, 235.386719 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: 3314000 3935.7274 20623.1989 14493.3792 231.2592 -203592.9473 2628.1122 0.0000 0.0000 52059.5327 -109621.7378 299.1868 -161681.2704 -109263.2797 299.2642 -122.0389 -95.1066 759807.3607 9.1553 9.2508 PRESSURE: 3314200 240.513 -79.7539 13.6734 -79.754 -266.93 -149.053 13.6726 -149.052 -102.737 GPRESSURE: 3314200 245.651 -109.232 19.1377 -104.727 -169.491 -280.193 78.6341 -117.385 -145.081 PRESSAVG: 3314200 29.1246 -10.545 15.6297 -10.545 -28.5563 -21.0114 15.6297 -21.0114 6.29549 GPRESSAVG: 3314200 30.0008 -12.1625 13.4469 -11.0721 -28.9112 -21.8601 19.0357 -20.1308 5.68573 TIMING: 3314200 CPU: 10468.8, 0.00316187/step Wall: 10468.8, 0.00316187/step, 1.48063 hours remaining, 235.386719 MB of memory in use. ENERGY: 3314200 3985.5131 20535.3546 14472.8321 235.6950 -203137.3589 2394.2883 0.0000 0.0000 51988.3020 -109525.3738 298.7775 -161513.6757 -109159.3103 299.1845 -43.0517 -22.9735 762381.3636 2.2880 2.2584 PRESSURE: 3314400 -194.223 -101.366 73.3194 -101.367 -510.731 96.0458 73.3189 96.0456 269.913 GPRESSURE: 3314400 -179.193 -117.929 95.4888 25.613 -462.465 88.4978 -70.3665 227.721 302.75 PRESSAVG: 3314400 18.1678 -19.8821 -15.1114 -19.8821 -53.0699 -3.20807 -15.1114 -3.20825 6.23377 GPRESSAVG: 3314400 18.0851 -19.8922 -12.3279 -19.5744 -52.5036 -3.07539 -16.5967 -1.49719 5.96587 TIMING: 3314400 CPU: 10469.4, 0.00316026/step Wall: 10469.4, 0.00316026/step, 1.4797 hours remaining, 235.386719 MB of memory in use. ENERGY: 3314400 3946.5265 20546.1344 14442.3881 234.7310 -203707.0037 2732.1754 0.0000 0.0000 52035.2927 -109769.7555 299.0475 -161805.0481 -109410.0363 298.8138 -145.0137 -112.9692 761575.2221 -9.5561 -9.4842 PRESSURE: 3314600 -131.755 -45.0044 72.6917 -45.0042 -407.923 144.108 72.6917 144.108 126.06 GPRESSURE: 3314600 -52.9163 66.5912 57.717 -54.4427 -333.372 100.33 84.451 6.20362 69.4868 PRESSAVG: 3314600 -6.16477 -34.9514 10.8866 -34.9514 -48.924 49.577 10.8866 49.5769 18.2692 GPRESSAVG: 3314600 -6.75733 -34.2004 10.3667 -34.8493 -48.9676 48.0179 8.57298 49.8098 18.7803 TIMING: 3314600 CPU: 10470, 0.00314786/step Wall: 10470, 0.00314786/step, 1.47372 hours remaining, 235.386719 MB of memory in use. ENERGY: 3314600 4033.3172 20419.2884 14417.2120 238.1392 -203415.8784 2629.1118 0.0000 0.0000 52028.9937 -109649.8162 299.0113 -161678.8099 -109304.3287 298.5769 -137.8728 -105.6003 761295.7983 -12.2732 -12.3149 PRESSURE: 3314800 225.276 -60.808 65.6692 -60.8085 6.31431 109.431 65.6691 109.431 -16.916 GPRESSURE: 3314800 231.622 -56.5062 60.0852 -95.4609 -49.7652 104.244 103.375 33.3474 124.665 PRESSAVG: 3314800 15.7211 23.7682 -8.485 23.7682 -38.4779 8.78447 -8.48497 8.78442 13.5423 GPRESSAVG: 3314800 16.7063 23.8602 -9.03899 23.4954 -40.6473 11.7981 -6.04918 8.37713 15.0468 TIMING: 3314800 CPU: 10470.7, 0.00316227/step Wall: 10470.7, 0.00316227/step, 1.48029 hours remaining, 235.386719 MB of memory in use. ENERGY: 3314800 3958.4618 20436.6134 14442.5985 229.8316 -203243.0292 2595.8896 0.0000 0.0000 52021.2190 -109558.4153 298.9667 -161579.6343 -109196.8375 298.6843 71.5579 102.1742 762043.6388 -3.0715 -2.9647 PRESSURE: 3315000 149.91 -111.854 -207.862 -111.855 65.7597 40.9876 -207.862 40.9864 79.8822 GPRESSURE: 3315000 191.192 17.1465 -173.771 -114.933 141.911 41.5271 -72.547 234.694 65.1195 PRESSAVG: 3315000 -14.8073 5.55546 21.5491 5.55536 33.921 30.4274 21.549 30.4275 1.31484 GPRESSAVG: 3315000 -15.2644 3.75202 22.3968 6.46333 35.6097 29.3805 21.9166 30.0668 0.0605258 TIMING: 3315000 CPU: 10471.3, 0.00315965/step Wall: 10471.3, 0.00315965/step, 1.47889 hours remaining, 235.386719 MB of memory in use. ENERGY: 3315000 3898.7826 20394.3496 14476.9560 255.1967 -203291.0888 2803.2850 0.0000 0.0000 51959.7056 -109502.8132 298.6131 -161462.5188 -109146.6652 299.2591 98.5173 132.7411 761588.8918 6.8095 6.8019 PRESSURE: 3315200 -109.677 -67.0088 21.8485 -67.0092 -397.946 155.935 21.8485 155.937 -118.714 GPRESSURE: 3315200 -82.9207 -44.3442 73.7194 -62.164 -275.948 112.524 113.982 35.5364 -166.344 PRESSAVG: 3315200 -15.532 22.9025 -11.1739 22.9026 51.6301 18.652 -11.1739 18.6521 -8.32178 GPRESSAVG: 3315200 -15.8343 25.6549 -10.6772 21.5705 52.887 19.756 -12.6888 17.5499 -9.94809 TIMING: 3315200 CPU: 10471.9, 0.00316443/step Wall: 10471.9, 0.00316443/step, 1.48095 hours remaining, 235.386719 MB of memory in use. ENERGY: 3315200 4007.1355 20460.3388 14527.1960 240.2465 -202717.1912 2041.8823 0.0000 0.0000 52001.2029 -109439.1893 298.8516 -161440.3922 -109073.8009 298.6079 -208.7788 -175.0707 762286.4955 9.2588 9.0349 PRESSURE: 3315400 82.9538 198.775 -127.654 198.776 -73.452 44.7953 -127.654 44.796 273.759 GPRESSURE: 3315400 89.5688 100.302 -107.039 283.052 22.4124 82.5178 -40.6547 114.705 248.492 PRESSAVG: 3315400 37.7225 49.2213 11.0749 49.2213 -9.84986 4.74308 11.0749 4.74307 -4.93718 GPRESSAVG: 3315400 38.7076 45.2203 9.70475 50.8983 -11.2956 1.1748 12.7566 6.76557 -3.84349 TIMING: 3315400 CPU: 10472.6, 0.00318021/step Wall: 10472.6, 0.00318021/step, 1.48816 hours remaining, 235.386719 MB of memory in use. ENERGY: 3315400 3973.1745 20534.1208 14504.9002 221.4857 -203473.4541 2766.6460 0.0000 0.0000 52142.1233 -109331.0036 299.6615 -161473.1269 -108972.4188 299.1526 94.4202 120.1576 761557.7660 7.6452 7.8562 PRESSURE: 3315600 -104.959 -75.4003 310.005 -75.4003 -383.329 -279.541 310.004 -279.542 -105.787 GPRESSURE: 3315600 -196.258 -64.3934 321.012 -34.3017 -243.275 -218.771 134.956 -228.478 -85.8853 PRESSAVG: 3315600 -33.5117 -22.3405 -7.82602 -22.3405 30.1608 -11.9282 -7.82604 -11.9281 5.53144 GPRESSAVG: 3315600 -33.5927 -20.7784 -6.43651 -24.4689 30.1448 -8.20095 -9.32472 -14.1735 5.52936 TIMING: 3315600 CPU: 10473.2, 0.00313711/step Wall: 10473.2, 0.00313711/step, 1.46782 hours remaining, 235.386719 MB of memory in use. ENERGY: 3315600 3941.0536 20470.6945 14518.3791 234.9254 -203146.2832 2516.0636 0.0000 0.0000 52100.9186 -109364.2484 299.4247 -161465.1669 -109002.8598 299.2798 -198.0246 -175.1392 763970.4387 0.7268 0.6938 PRESSURE: 3315800 41.9868 -174.646 -36.0005 -174.646 -238.869 91.6199 -36 91.6191 -568.574 GPRESSURE: 3315800 6.79423 -65.2386 -108.562 -195.242 -119.864 30.034 21.583 -68.6962 -564.681 PRESSAVG: 3315800 -16.4184 -41.3738 -22.2277 -41.3738 14.4042 -18.575 -22.2277 -18.5751 29.1603 GPRESSAVG: 3315800 -16.665 -40.3391 -25.1843 -39.5332 14.4317 -21.3008 -20.896 -16.6023 29.4569 TIMING: 3315800 CPU: 10473.8, 0.00315543/step Wall: 10473.8, 0.00315543/step, 1.47621 hours remaining, 235.386719 MB of memory in use. ENERGY: 3315800 4007.6837 20394.6389 14464.1397 244.6027 -202996.8947 2542.1176 0.0000 0.0000 52161.9249 -109181.7873 299.7753 -161343.7122 -108816.7376 299.0182 -255.1523 -225.9171 763351.7917 9.0487 9.0745 PRESSURE: 3316000 -191.088 -175.753 -127.023 -175.753 104.468 -152.025 -127.023 -152.026 285.73 GPRESSURE: 3316000 -103.687 -298.039 -47.6211 -125.404 129.907 -190.102 -124.773 -118.914 266.794 PRESSAVG: 3316000 44.8119 -33.1879 14.6853 -33.1879 -61.7502 -4.92244 14.6852 -4.92242 -20.6998 GPRESSAVG: 3316000 44.6124 -33.8025 16.4287 -31.849 -60.3476 -3.12919 16.167 -6.62527 -21.7976 TIMING: 3316000 CPU: 10474.5, 0.00317129/step Wall: 10474.5, 0.00317129/step, 1.48346 hours remaining, 235.386719 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: 3316000 4061.5063 20568.6790 14483.2772 249.3486 -203317.2957 2512.3688 0.0000 0.0000 52225.1894 -109216.9263 300.1389 -161442.1158 -108866.1379 299.2028 66.3702 97.6714 760696.0114 -12.5461 -12.5109 PRESSURE: 3316200 -33.734 -202.614 -41.2181 -202.614 -425.27 15.4303 -41.2173 15.4302 -488.923 GPRESSURE: 3316200 -56.0238 -216.336 11.0394 -212.474 -415.965 -32.2392 -73.5604 61.3971 -392.229 PRESSAVG: 3316200 -59.0364 -30.8466 -12.3857 -30.8466 33.246 21.1531 -12.3857 21.1532 15.5537 GPRESSAVG: 3316200 -59.9528 -30.9975 -11.6229 -33.1883 32.9898 19.6169 -14.1964 21.6178 16.4362 TIMING: 3316200 CPU: 10475.1, 0.00317335/step Wall: 10475.1, 0.00317335/step, 1.48425 hours remaining, 235.386719 MB of memory in use. ENERGY: 3316200 4014.4915 20543.1953 14543.9110 224.7608 -202567.7750 2075.1595 0.0000 0.0000 52045.6282 -109120.6287 299.1069 -161166.2569 -108766.7628 299.8344 -315.9756 -288.0724 761592.0403 -3.4122 -3.5090 LDB: ============= START OF LOAD BALANCING ============== 10487.6 LDB: ============== END OF LOAD BALANCING =============== 10487.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10487.6 LDB: ============= START OF LOAD BALANCING ============== 10487.9 LDB: Largest compute 7075 load 0.034127 is 17.4% of average load 0.195693 LDB: Average compute 0.004357 is 2.2% of average load 0.195693 LDB: TIME 10488 LOAD: AVG 0.195693 MAX 0.212792 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 10488 LOAD: AVG 0.195693 MAX 0.212792 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 10488 LOAD: AVG 0.195693 MAX 0.212792 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 10488 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10488 PRESSURE: 3316400 41.0646 154.42 -0.988786 154.419 -96.9179 -180.498 -0.989331 -180.498 163.395 GPRESSURE: 3316400 17.7227 -15.2368 95.0489 88.8728 30.5873 -159.041 -5.19599 -129.336 134.745 PRESSAVG: 3316400 -14.3438 38.4993 -4.4862 38.4993 3.06097 -16.0972 -4.48624 -16.0972 -5.5242 GPRESSAVG: 3316400 -13.2801 38.9304 -3.97496 39.1336 3.043 -15.8704 -2.99884 -14.9029 -6.43338 TIMING: 3316400 CPU: 10475.7, 0.00322018/step Wall: 10475.7, 0.00322018/step, 1.50597 hours remaining, 234.847656 MB of memory in use. ENERGY: 3316400 3910.0310 20576.0494 14438.8298 238.5378 -202699.1843 2199.3665 0.0000 0.0000 52188.0507 -109148.3192 299.9254 -161336.3699 -108784.8002 300.1012 35.8471 61.0183 759828.6289 -5.6023 -5.5568 PRESSURE: 3316600 -6.96793 -88.2044 -322.674 -88.204 291.425 -163.532 -322.673 -163.531 329.979 GPRESSURE: 3316600 91.4232 -57.6133 -314.072 -94.3949 268.904 -150.196 -212.466 -217.816 346.292 PRESSAVG: 3316600 15.3985 20.4139 -22.8126 20.414 -23.8317 -28.33 -22.8126 -28.33 -13.4612 GPRESSAVG: 3316600 14.8995 18.9188 -24.3701 21.1296 -22.7309 -26.9211 -22.5397 -28.6836 -14.3714 TIMING: 3316600 CPU: 10476.4, 0.00315675/step Wall: 10476.4, 0.00315675/step, 1.47613 hours remaining, 235.050781 MB of memory in use. ENERGY: 3316600 3961.8900 20440.0256 14475.6390 251.4006 -203310.9622 2690.6273 0.0000 0.0000 52367.7000 -109123.6797 300.9579 -161491.3797 -108753.5644 300.1866 204.8122 235.5396 760237.6304 -7.2982 -7.4009 PRESSURE: 3316800 -205.938 -224.821 229.74 -224.821 -47.0683 280.181 229.74 280.182 -105.763 GPRESSURE: 3316800 -182.083 -205.467 161.702 -92.0998 57.3126 262.63 191.937 286.148 -133.837 PRESSAVG: 3316800 -34.1774 -23.7956 -4.6349 -23.7956 27.2737 1.51865 -4.63489 1.51863 21.9597 GPRESSAVG: 3316800 -33.9331 -21.6576 -4.18838 -23.2038 26.5242 -0.379206 -6.84323 2.45936 22.623 TIMING: 3316800 CPU: 10477, 0.00317792/step Wall: 10477, 0.00317792/step, 1.48585 hours remaining, 235.070312 MB of memory in use. ENERGY: 3316800 3946.3768 20621.4294 14509.6522 234.8558 -203147.1031 2525.9176 0.0000 0.0000 52146.0433 -109162.8280 299.6840 -161308.8713 -108801.6240 299.8739 -119.5898 -86.2022 758688.6036 5.0187 5.0713 PRESSURE: 3317000 255.637 -49.3188 76.5691 -49.319 -247.703 -45.2453 76.5694 -45.245 -259.748 GPRESSURE: 3317000 220.14 -116.816 5.97012 -93.412 -207.756 -48.4342 229.777 128.062 -177.318 PRESSAVG: 3317000 25.3486 24.2093 -28.4597 24.2093 -19.232 -1.18818 -28.4598 -1.18819 -5.32895 GPRESSAVG: 3317000 24.7502 24.9143 -28.5555 21.9418 -19.1375 -0.348665 -26.9605 -2.72023 -5.06175 TIMING: 3317000 CPU: 10477.6, 0.00314817/step Wall: 10477.6, 0.00314817/step, 1.47177 hours remaining, 235.070312 MB of memory in use. ENERGY: 3317000 3971.2620 20526.4480 14448.9545 260.0865 -202976.2292 2358.3732 0.0000 0.0000 52128.3337 -109282.7714 299.5823 -161411.1050 -108914.7761 299.7566 -83.9380 -54.9777 758627.6495 0.2626 0.1837 PRESSURE: 3317200 42.9628 -95.013 270.053 -95.0131 146.626 20.6651 270.053 20.6641 -196.088 GPRESSURE: 3317200 98.0904 -50.8223 259.755 -134.488 186.694 71.8196 166.999 19.9494 -219.851 PRESSAVG: 3317200 1.92311 -37.1777 29.9817 -37.1777 -22.1685 56.74 29.9817 56.7399 10.877 GPRESSAVG: 3317200 2.85527 -39.351 31.1116 -35.4223 -22.755 56.1628 30.4204 57.4516 9.91502 TIMING: 3317200 CPU: 10478.3, 0.00316175/step Wall: 10478.3, 0.00316175/step, 1.47794 hours remaining, 235.070312 MB of memory in use. ENERGY: 3317200 3957.1688 20728.3921 14499.3626 234.9192 -203241.1569 2714.6868 0.0000 0.0000 51992.7592 -109113.8681 298.8031 -161106.6273 -108763.9550 299.7474 -2.1664 21.6447 759276.0053 -3.1228 -3.3282 PRESSURE: 3317400 -200.7 -180.16 217.296 -180.161 -127.88 131.074 217.295 131.075 55.5396 GPRESSURE: 3317400 -109.781 -76.2405 186.877 -145.481 -84.54 176.901 116.279 10.9914 6.33281 PRESSAVG: 3317400 28.1978 42.3459 15.4876 42.3458 -54.6877 12.3767 15.4876 12.3767 -4.32991 GPRESSAVG: 3317400 28.0525 42.5523 14.5283 42.0582 -56.1028 12.9585 15.018 11.4617 -3.59441 TIMING: 3317400 CPU: 10478.9, 0.00314557/step Wall: 10478.9, 0.00314557/step, 1.47021 hours remaining, 235.070312 MB of memory in use. ENERGY: 3317400 4080.0218 20481.0706 14505.7771 267.1386 -203387.3304 2787.5948 0.0000 0.0000 52044.0924 -109221.6351 299.0981 -161265.7276 -108860.2167 299.5746 -91.0137 -62.6626 760276.4839 -10.2733 -10.5482 PRESSURE: 3317600 -402.03 180.222 25.1948 180.223 161.075 28.2437 25.1943 28.2439 -69.2522 GPRESSURE: 3317600 -303.37 99.3517 38.1517 79.0296 104.177 85.713 4.84147 60.5656 -28.0198 PRESSAVG: 3317600 8.59816 -5.33475 50.1902 -5.3348 32.3504 -9.7034 50.1902 -9.70339 -8.87203 GPRESSAVG: 3317600 7.84742 -6.36061 50.2511 -5.43935 33.5907 -8.59286 50.5802 -10.3038 -9.05909 TIMING: 3317600 CPU: 10479.5, 0.00315716/step Wall: 10479.5, 0.00315716/step, 1.47545 hours remaining, 235.070312 MB of memory in use. ENERGY: 3317600 4064.0004 20469.3545 14456.8426 226.0030 -203251.6519 2814.2671 0.0000 0.0000 51775.4096 -109445.7746 297.5540 -161221.1842 -109080.3808 299.0466 -103.4025 -75.7376 762205.9313 10.6922 10.7930 PRESSURE: 3317800 -230.114 197.429 101.639 197.428 -484.461 168.306 101.639 168.305 271.483 GPRESSURE: 3317800 -210.268 126.401 70.6454 100.716 -317.378 169.75 0.394573 205.272 158.481 PRESSAVG: 3317800 -7.55795 -35.1198 22.2882 -35.1198 52.9313 18.2174 22.2883 18.2175 18.3648 GPRESSAVG: 3317800 -6.78407 -34.0745 22.1956 -35.1567 51.494 16.9101 22.7708 18.9531 19.0745 TIMING: 3317800 CPU: 10480.2, 0.00314785/step Wall: 10480.2, 0.00314785/step, 1.47092 hours remaining, 235.070312 MB of memory in use. ENERGY: 3317800 4008.4607 20565.9715 14394.6534 246.5232 -203642.1595 2604.5600 0.0000 0.0000 52260.7087 -109561.2820 300.3430 -161821.9907 -109192.9886 298.9908 -147.6973 -123.0550 759925.4705 21.2461 21.2615 PRESSURE: 3318000 -212.281 -21.3829 -146.079 -21.3836 -591.828 -127.863 -146.078 -127.862 -7.59278 GPRESSURE: 3318000 -185.323 -62.8852 -116.87 4.0988 -529.4 -166.765 -69.652 -57.7691 -5.7321 PRESSAVG: 3318000 4.46214 8.14523 -14.5712 8.1452 8.00113 6.10041 -14.5712 6.10041 -6.67393 GPRESSAVG: 3318000 3.6697 10.2393 -13.5344 5.94884 8.72236 6.83811 -15.7605 6.52948 -7.23998 TIMING: 3318000 CPU: 10480.8, 0.00315487/step Wall: 10480.8, 0.00315487/step, 1.47403 hours remaining, 235.070312 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: 3318000 4006.9544 20526.3855 14411.8624 241.9005 -203051.2020 2308.9975 0.0000 0.0000 52088.7536 -109466.3481 299.3548 -161555.1016 -109105.4860 299.0301 -270.5670 -240.1515 762272.0579 1.9298 1.7174 PRESSURE: 3318200 103.943 282.17 55.559 282.171 -16.6249 -102.005 55.5583 -102.003 -21.8613 GPRESSURE: 3318200 94.8 237.744 38.9881 171.369 30.7162 -71.1911 47.8038 -224.133 19.0481 PRESSAVG: 3318200 14.8822 13.1356 51.9039 13.1357 25.9671 -48.07 51.9038 -48.07 6.64733 GPRESSAVG: 3318200 13.8179 10.2194 50.9426 15.1635 25.2764 -48.1539 53.5981 -49.8299 7.65407 TIMING: 3318200 CPU: 10481.4, 0.00315173/step Wall: 10481.4, 0.00315173/step, 1.47238 hours remaining, 235.070312 MB of memory in use. ENERGY: 3318200 4034.2755 20547.6762 14323.7757 241.6130 -203646.2555 2845.7272 0.0000 0.0000 52242.3356 -109410.8521 300.2374 -161653.1878 -109039.4483 299.5055 21.8189 48.1881 761039.4908 15.8322 15.5828 PRESSURE: 3318400 107.971 219.313 36.6459 219.313 -218.672 -233.613 36.646 -233.614 59.6474 GPRESSURE: 3318400 153.027 193.497 -0.687105 159.517 -193.974 -241.988 20.3418 -179.804 84.5928 PRESSAVG: 3318400 36.8157 43.9755 32.3868 43.9755 -76.8317 -46.8389 32.3869 -46.8389 2.71125 GPRESSAVG: 3318400 36.1715 44.298 32.3229 44.361 -75.9353 -44.9989 31.0115 -46.7788 2.6781 TIMING: 3318400 CPU: 10482.1, 0.00316715/step Wall: 10482.1, 0.00316715/step, 1.47941 hours remaining, 235.070312 MB of memory in use. ENERGY: 3318400 3986.8609 20607.6131 14440.2974 249.6140 -203558.2748 2818.3514 0.0000 0.0000 52080.4695 -109375.0685 299.3072 -161455.5380 -109004.0371 299.3760 -17.0176 14.5488 763058.8953 -12.4349 -12.3619 PRESSURE: 3318600 -34.5804 -200.719 -72.0632 -200.718 127.315 49.9956 -72.0627 49.9953 117.728 GPRESSURE: 3318600 11.0959 -172.235 -97.5595 -167.696 178.845 28.9115 51.3227 85.9713 123.051 PRESSAVG: 3318600 -4.08137 10.2571 4.44256 10.2572 13.0556 14.922 4.44259 14.9221 19.7491 GPRESSAVG: 3318600 -1.7448 11.9208 5.30737 10.0422 11.6586 13.8322 4.34555 16.1097 19.5274 TIMING: 3318600 CPU: 10482.7, 0.0031677/step Wall: 10482.7, 0.0031677/step, 1.47949 hours remaining, 235.070312 MB of memory in use. ENERGY: 3318600 3917.9888 20434.5691 14484.8396 236.8477 -203425.4076 2750.6390 0.0000 0.0000 52240.3080 -109360.2155 300.2258 -161600.5234 -108987.1617 299.7686 70.1541 104.3306 761236.1462 9.5745 9.8137 PRESSURE: 3318800 -465.132 75.1321 -7.48428 75.1319 181.657 171.151 -7.48469 171.152 344.733 GPRESSURE: 3318800 -368.192 -10.1985 -9.42796 29.8772 243.136 174.88 101.34 126.574 268.668 PRESSAVG: 3318800 -26.0853 21.1519 -8.8106 21.1519 10.5502 -5.48991 -8.8106 -5.48992 -23.575 GPRESSAVG: 3318800 -25.3259 19.4196 -9.64994 21.0783 10.5062 -5.97921 -6.67175 -6.65478 -24.3557 TIMING: 3318800 CPU: 10483.3, 0.00316689/step Wall: 10483.3, 0.00316689/step, 1.47894 hours remaining, 235.070312 MB of memory in use. ENERGY: 3318800 3961.4813 20540.3576 14458.7140 255.3005 -203568.1691 2772.0721 0.0000 0.0000 52237.8801 -109342.3635 300.2118 -161580.2436 -108979.8041 299.1297 20.4196 47.8708 763026.6397 -13.0367 -13.0585 PRESSURE: 3319000 -9.63201 217.962 129.135 217.962 69.4003 -111.105 129.135 -111.105 -156.693 GPRESSURE: 3319000 51.3032 244.865 69.6303 242.918 -7.78782 -67.6953 160.691 -199.092 -67.6047 PRESSAVG: 3319000 -24.8426 43.0346 34.5591 43.0346 0.182796 -5.67584 34.5591 -5.67591 -6.83268 GPRESSAVG: 3319000 -27.0085 43.4676 33.8428 44.3006 0.356847 -5.71494 34.5573 -3.98357 -4.85084 TIMING: 3319000 CPU: 10484, 0.00315926/step Wall: 10484, 0.00315926/step, 1.4752 hours remaining, 235.070312 MB of memory in use. ENERGY: 3319000 3973.1004 20576.7894 14461.4970 232.0600 -203222.7995 2672.8872 0.0000 0.0000 51978.3977 -109328.0678 298.7206 -161306.4655 -108965.1444 299.4889 -32.3082 -8.0298 761445.7524 -10.4975 -10.5008 PRESSURE: 3319200 305.084 213.41 237.996 213.409 70.5877 25.4553 237.996 25.4552 410.37 GPRESSURE: 3319200 313.984 190.919 144.105 208.55 139.623 5.12741 327.301 5.41032 439.684 PRESSAVG: 3319200 10.9081 66.2403 56.1339 66.2402 -0.46785 17.1488 56.1339 17.1487 8.83291 GPRESSAVG: 3319200 10.824 68.6073 57.8379 63.3347 0.842107 17.2471 54.4845 15.9893 8.07384 TIMING: 3319200 CPU: 10484.6, 0.00316496/step Wall: 10484.6, 0.00316496/step, 1.47768 hours remaining, 235.070312 MB of memory in use. ENERGY: 3319200 4025.1112 20572.7997 14452.6949 245.4851 -204029.8846 3137.2316 0.0000 0.0000 52043.9361 -109552.6259 299.0972 -161596.5620 -109194.9001 299.0485 262.0139 297.7639 762246.3359 6.4244 6.5800 PRESSURE: 3319400 273.541 177.506 97.4448 177.505 -150.693 -5.94098 97.4446 -5.94111 -88.3421 GPRESSURE: 3319400 206.563 139.984 -26.8076 51.1691 10.1702 -30.6067 -24.135 84.415 -94.1857 PRESSAVG: 3319400 13.7369 68.0647 -19.2669 68.0646 4.42463 29.3944 -19.2669 29.3945 -20.7377 GPRESSAVG: 3319400 14.2823 65.2904 -19.7146 68.6523 3.62402 27.7069 -18.5656 32.1644 -20.6428 TIMING: 3319400 CPU: 10485.2, 0.00317139/step Wall: 10485.2, 0.00317139/step, 1.48051 hours remaining, 235.070312 MB of memory in use. ENERGY: 3319400 3987.5386 20524.6757 14511.6892 257.4794 -203571.2836 2897.6544 0.0000 0.0000 51903.8183 -109488.4280 298.2920 -161392.2463 -109128.4536 298.4686 11.5019 40.8490 760459.5392 -0.8587 -0.9122 PRESSURE: 3319600 -128.598 233.163 34.0934 233.164 146.741 -155.001 34.0936 -155.001 106.757 GPRESSURE: 3319600 -41.6507 199.459 174.356 310.42 130.434 -153.846 54.3003 -209.835 135.325 PRESSAVG: 3319600 -63.8198 32.6717 -9.89566 32.6716 14.1281 -46.5957 -9.89565 -46.5957 -9.58312 GPRESSAVG: 3319600 -63.8044 34.0582 -10.6304 34.4361 14.2048 -45.7804 -9.52183 -50.3223 -10.0197 TIMING: 3319600 CPU: 10485.9, 0.00317858/step Wall: 10485.9, 0.00317858/step, 1.48369 hours remaining, 235.070312 MB of memory in use. ENERGY: 3319600 4009.4690 20515.5074 14457.9988 238.0031 -203633.2741 2924.6319 0.0000 0.0000 51888.5268 -109599.1372 298.2041 -161487.6640 -109235.3146 299.0532 41.6332 74.7029 763253.2686 -19.7583 -19.8731 PRESSURE: 3319800 -334.139 -67.1963 -132.867 -67.1959 -346.049 -13.055 -132.867 -13.0561 -118.685 GPRESSURE: 3319800 -335.132 -124.477 -39.1677 -148.823 -313.994 -12.3867 -51.9843 80.404 -89.314 PRESSAVG: 3319800 22.3027 29.4775 -13.647 29.4775 -48.7725 -64.3642 -13.647 -64.3643 2.95406 GPRESSAVG: 3319800 21.0991 29.9018 -13.7954 27.2498 -48.547 -65.0168 -13.0926 -63.3669 3.1886 TIMING: 3319800 CPU: 10486.5, 0.00316149/step Wall: 10486.5, 0.00316149/step, 1.47554 hours remaining, 235.070312 MB of memory in use. ENERGY: 3319800 3904.6350 20527.6130 14465.9213 242.9640 -203307.5983 2473.4260 0.0000 0.0000 52114.9901 -109578.0489 299.5056 -161693.0389 -109217.0605 299.3960 -266.2912 -246.1465 763486.8879 -7.8386 -8.0864 PRESSURE: 3320000 28.228 -23.446 -60.7251 -23.4464 -224.396 -133.008 -60.7251 -133.007 -171.692 GPRESSURE: 3320000 140.309 -70.9492 -144.429 -2.41746 -216.127 -32.3891 -42.7577 -176.864 -207.073 PRESSAVG: 3320000 -60.6947 -9.64174 -38.4839 -9.64179 58.0609 -43.7132 -38.4839 -43.7132 0.212639 GPRESSAVG: 3320000 -58.4617 -11.387 -39.1099 -7.11731 57.4249 -40.8424 -39.2828 -44.1164 -1.01681 TIMING: 3320000 CPU: 10487.1, 0.00317731/step Wall: 10487.1, 0.00317731/step, 1.48274 hours remaining, 235.070312 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: 3320000 3984.3758 20444.6967 14482.3766 265.0069 -203495.1657 2675.6381 0.0000 0.0000 52153.0506 -109490.0210 299.7243 -161643.0716 -109124.3380 299.5295 -122.6201 -94.2968 762258.9031 -0.8070 -0.6845 PRESSURE: 3320200 -467.584 126.681 11.9505 126.681 93.6001 242.309 11.9507 242.308 87.0567 GPRESSURE: 3320200 -380.814 -6.14695 -70.6311 76.8959 118.213 155.134 8.03444 296.593 69.5968 PRESSAVG: 3320200 -62.5607 45.4556 -40.9032 45.4556 50.2771 -31.7642 -40.9031 -31.7642 4.12013 GPRESSAVG: 3320200 -64.2293 44.8644 -39.2355 42.4776 50.3761 -32.8073 -40.7428 -31.2166 5.92362 TIMING: 3320200 CPU: 10487.8, 0.0031823/step Wall: 10487.8, 0.0031823/step, 1.4849 hours remaining, 235.070312 MB of memory in use. ENERGY: 3320200 4006.7379 20427.7372 14453.8320 251.2693 -203601.1327 2546.8170 0.0000 0.0000 52119.9068 -109794.8325 299.5338 -161914.7393 -109431.8282 298.4566 -95.6426 -64.3348 760700.0266 -2.7211 -2.6432 LDB: ============= START OF LOAD BALANCING ============== 10500.3 LDB: ============== END OF LOAD BALANCING =============== 10500.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10500.3 LDB: ============= START OF LOAD BALANCING ============== 10500.6 LDB: Largest compute 7075 load 0.032126 is 16.4% of average load 0.195641 LDB: Average compute 0.004362 is 2.2% of average load 0.195641 LDB: TIME 10500.6 LOAD: AVG 0.195641 MAX 0.212731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.922 MB LDB: TIME 10500.6 LOAD: AVG 0.195641 MAX 0.212731 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.961 MB LDB: TIME 10500.6 LOAD: AVG 0.195641 MAX 0.212731 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.961 MB LDB: ============== END OF LOAD BALANCING =============== 10500.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10500.6 PRESSURE: 3320400 68.6865 -37.7004 -110.262 -37.6994 31.58 81.3062 -110.262 81.3065 75.5602 GPRESSURE: 3320400 119.683 -34.8777 -56.2645 -76.8377 66.5151 74.5827 -166.831 103.372 67.7991 PRESSAVG: 3320400 -53.2114 -6.95927 -10.6788 -6.95926 29.1967 9.30173 -10.6787 9.30166 1.553 GPRESSAVG: 3320400 -53.2379 -6.74148 -10.4777 -5.67319 29.7971 8.58 -12.2915 8.47457 0.960493 TIMING: 3320400 CPU: 10488.4, 0.00324379/step Wall: 10488.4, 0.00324379/step, 1.51341 hours remaining, 237.250000 MB of memory in use. ENERGY: 3320400 3977.5185 20420.4878 14486.1980 247.5152 -203460.3282 2649.5039 0.0000 0.0000 51976.4180 -109702.6869 298.7092 -161679.1048 -109330.9208 298.7704 58.6089 84.6657 762332.6327 -7.4872 -7.4934 PRESSURE: 3320600 -131.466 33.905 -99.1728 33.9047 -48.3731 -167.526 -99.1736 -167.527 136.394 GPRESSURE: 3320600 -142.274 22.611 -46.8106 15.8548 47.0936 -131.01 -138.252 -73.1148 118.291 PRESSAVG: 3320600 -14.599 1.47525 -12.4837 1.47524 17.728 1.49848 -12.4836 1.49846 -1.86434 GPRESSAVG: 3320600 -14.9284 1.6245 -12.0821 0.629037 17.5735 2.07745 -9.8339 1.84854 -0.933604 TIMING: 3320600 CPU: 10489, 0.00315362/step Wall: 10489, 0.00315362/step, 1.47116 hours remaining, 237.257812 MB of memory in use. ENERGY: 3320600 3914.6999 20388.8375 14496.4712 238.7356 -203097.5674 2459.8246 0.0000 0.0000 51914.0600 -109684.9386 298.3508 -161598.9986 -109323.8127 298.2866 -14.4816 7.7035 761006.4507 0.4216 0.5705 PRESSURE: 3320800 -468.51 -217.376 58.7535 -217.376 -157.956 200.387 58.7531 200.387 -36.2246 GPRESSURE: 3320800 -347.663 -202.745 -67.6502 -212.075 -181.196 147.333 145.762 82.9644 -46.6895 PRESSAVG: 3320800 -50.1137 -20.1076 0.135449 -20.1077 21.3107 6.13623 0.135452 6.13617 22.605 GPRESSAVG: 3320800 -48.6801 -18.4441 -0.757335 -19.4187 20.8812 4.75914 -1.7313 3.44189 21.3661 TIMING: 3320800 CPU: 10489.7, 0.00316305/step Wall: 10489.7, 0.00316305/step, 1.47539 hours remaining, 237.257812 MB of memory in use. ENERGY: 3320800 3920.3270 20622.4304 14416.4588 238.3820 -202841.4140 2305.7701 0.0000 0.0000 51708.1785 -109629.8672 297.1676 -161338.0457 -109273.6905 299.0328 -220.8967 -191.8498 761848.5373 -2.0660 -2.1443 PRESSURE: 3321000 186.527 10.1289 -31.7086 10.1291 195.013 -152.697 -31.7088 -152.696 -6.63359 GPRESSURE: 3321000 259.764 61.1662 1.81439 -101.45 239.919 -96.8668 8.68598 -72.0776 -40.6615 PRESSAVG: 3321000 -26.1435 -20.0974 37.3965 -20.0974 41.7302 12.5487 37.3965 12.5487 6.75034 GPRESSAVG: 3321000 -26.8918 -21.8825 38.0068 -17.8335 42.6236 13.1763 38.962 16.6096 6.61218 TIMING: 3321000 CPU: 10490.3, 0.00315318/step Wall: 10490.3, 0.00315318/step, 1.47061 hours remaining, 237.515625 MB of memory in use. ENERGY: 3321000 4053.4630 20489.9043 14593.4703 257.9525 -203904.9165 2863.5465 0.0000 0.0000 52041.4315 -109605.1484 299.0828 -161646.5799 -109250.0876 299.1036 124.9689 153.0073 759271.0602 7.4457 7.4480 PRESSURE: 3321200 194.119 -49.0823 188.143 -49.0826 -144.617 105.035 188.143 105.035 199.316 GPRESSURE: 3321200 164.196 4.20347 198.202 -38.0712 -56.6309 141.689 151.543 1.47416 216.487 PRESSAVG: 3321200 -13.6871 24.535 -63.3002 24.5349 80.0718 17.8146 -63.3001 17.8147 -10.7408 GPRESSAVG: 3321200 -14.5513 24.9449 -64.8032 23.7687 79.8164 19.2515 -64.1627 14.8479 -10.0108 TIMING: 3321200 CPU: 10490.9, 0.00316389/step Wall: 10490.9, 0.00316389/step, 1.47543 hours remaining, 237.515625 MB of memory in use. ENERGY: 3321200 4007.9098 20284.0701 14496.6331 255.7749 -203076.1472 2563.7499 0.0000 0.0000 52074.0364 -109393.9729 299.2702 -161468.0094 -109014.9227 299.3647 82.9391 108.0174 761230.5725 18.5480 18.4181 PRESSURE: 3321400 -98.7784 204.264 207.713 204.264 117.422 -47.9158 207.712 -47.9164 123.168 GPRESSURE: 3321400 33.1577 195.475 182.772 177.736 123.197 -10.9886 136.847 -154.933 83.7291 PRESSAVG: 3321400 29.5994 36.4152 -16.2015 36.4152 -24.3061 33.7883 -16.2014 33.7882 14.6889 GPRESSAVG: 3321400 31.6835 34.9884 -15.4524 35.6241 -25.8363 31.2993 -16.576 35.5058 14.6055 TIMING: 3321400 CPU: 10491.6, 0.00317192/step Wall: 10491.6, 0.00317192/step, 1.479 hours remaining, 237.515625 MB of memory in use. ENERGY: 3321400 3979.9256 20588.8187 14510.0675 246.2602 -203892.7641 3053.2575 0.0000 0.0000 52114.9891 -109399.4454 299.5056 -161514.4345 -109035.2541 299.0277 47.2705 80.0280 761550.5957 6.6607 6.8176 PRESSURE: 3321600 127.051 274.5 232.354 274.501 -151.719 230.828 232.354 230.828 110.7 GPRESSURE: 3321600 181.872 267.911 299.707 343.865 -126.639 220.281 166.43 182.378 119.795 PRESSAVG: 3321600 -0.539615 44.5768 -13.5519 44.5768 17.5721 -5.59982 -13.5519 -5.59982 11.0403 GPRESSAVG: 3321600 -1.17914 45.0425 -13.6356 46.4879 19.3847 -5.9652 -12.6608 -6.73544 9.96526 TIMING: 3321600 CPU: 10492.2, 0.00317178/step Wall: 10492.2, 0.00317178/step, 1.47876 hours remaining, 237.515625 MB of memory in use. ENERGY: 3321600 4065.1908 20497.2344 14438.6304 245.6481 -203346.1256 2812.3627 0.0000 0.0000 51958.4649 -109328.5942 298.6060 -161287.0591 -108973.6252 299.7258 28.6772 58.3430 762821.4083 9.3576 9.3903 PRESSURE: 3321800 -54.7041 -66.5474 -5.08405 -66.5453 66.7372 117.261 -5.08285 117.26 144.169 GPRESSURE: 3321800 -91.2348 -3.47294 64.0638 34.3309 89.896 155.935 -22.5604 121.777 222.466 PRESSAVG: 3321800 12.7135 -73.8406 -38.2281 -73.8407 -14.7615 4.67021 -38.2281 4.67022 1.86257 GPRESSAVG: 3321800 11.9488 -71.4757 -38.2227 -75.1951 -14.802 8.79273 -39.0228 3.11807 2.84338 TIMING: 3321800 CPU: 10492.8, 0.00316927/step Wall: 10492.8, 0.00316927/step, 1.47741 hours remaining, 237.515625 MB of memory in use. ENERGY: 3321800 3955.8022 20696.0314 14393.9569 267.6486 -203352.2631 2643.7530 0.0000 0.0000 51839.9766 -109555.0944 297.9251 -161395.0710 -109210.3543 299.2415 52.0673 73.7090 761991.9505 -0.0618 -0.0032 PRESSURE: 3322000 78.6972 -99.4264 -164.691 -99.4263 40.2439 -212.765 -164.691 -212.764 137.444 GPRESSURE: 3322000 79.651 28.6931 -211.684 -81.6254 155.026 -250.019 -79.1216 -167.855 96.2116 PRESSAVG: 3322000 -8.72964 15.9492 -9.60406 15.9492 -76.7727 21.1632 -9.60408 21.1632 -6.50371 GPRESSAVG: 3322000 -7.38089 15.7039 -9.46142 13.9169 -77.7121 18.1765 -9.3495 21.3331 -6.61327 TIMING: 3322000 CPU: 10493.5, 0.00315342/step Wall: 10493.5, 0.00315342/step, 1.46984 hours remaining, 237.515625 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: 3322000 3984.6773 20504.2996 14480.9534 253.1215 -203407.0594 2462.8672 0.0000 0.0000 52029.0409 -109692.0993 299.0116 -161721.1402 -109328.0106 298.4178 85.4619 110.2963 761765.4958 -30.6687 -30.5687 PRESSURE: 3322200 -39.3116 -96.2811 127.62 -96.2811 127.449 -132.84 127.62 -132.84 -347.832 GPRESSURE: 3322200 -83.4416 -67.6315 115.574 -282.813 122.609 -153.338 1.02147 -72.18 -221.709 PRESSAVG: 3322200 32.6258 4.12235 -59.9324 4.1223 -12.919 -12.7724 -59.9323 -12.7725 -11.2202 GPRESSAVG: 3322200 31.6036 6.38675 -58.9518 2.88444 -12.1962 -12.2859 -61.5716 -10.4137 -10.1765 TIMING: 3322200 CPU: 10494.1, 0.00313558/step Wall: 10494.1, 0.00313558/step, 1.46135 hours remaining, 237.515625 MB of memory in use. ENERGY: 3322200 3967.8108 20620.5984 14465.4804 235.6402 -203407.0046 2490.1870 0.0000 0.0000 51948.9864 -109678.3016 298.5515 -161627.2879 -109328.0998 299.2345 -86.5648 -60.8473 762085.0476 2.8289 3.0770 PRESSURE: 3322400 58.5336 -20.3484 50.1006 -20.3484 186.088 -68.2116 50.101 -68.2114 390.713 GPRESSURE: 3322400 102.005 -15.4249 100.903 -113.338 220.61 -50.7265 47.0238 -1.17285 410.815 PRESSAVG: 3322400 3.1917 20.2489 15.3384 20.2489 38.9992 -52.8919 15.3385 -52.8919 9.56058 GPRESSAVG: 3322400 2.97383 16.4668 16.1452 23.2551 39.3316 -54.2607 17.8499 -53.179 9.29395 TIMING: 3322400 CPU: 10494.7, 0.00317309/step Wall: 10494.7, 0.00317309/step, 1.47866 hours remaining, 237.515625 MB of memory in use. ENERGY: 3322400 3966.5520 20591.5483 14508.3940 231.1986 -203814.2174 2831.9648 0.0000 0.0000 52060.2693 -109624.2905 299.1911 -161684.5598 -109258.9739 299.0030 211.7783 244.4767 760793.6504 17.2505 17.1998 PRESSURE: 3322600 -146.927 51.5906 -179.845 51.5907 -43.3715 -1.64144 -179.844 -1.64261 -74.1546 GPRESSURE: 3322600 -128.253 100.312 -179.758 -5.38081 -21.0458 -38.6296 -145.898 -13.9319 -25.2206 PRESSAVG: 3322600 2.76932 23.2796 -6.54787 23.2795 -27.7402 20.6554 -6.5479 20.6554 4.3042 GPRESSAVG: 3322600 3.25327 25.7567 -10.0326 23.3093 -27.0293 20.7155 -6.2721 22.16 3.11979 TIMING: 3322600 CPU: 10495.4, 0.00314952/step Wall: 10495.4, 0.00314952/step, 1.4675 hours remaining, 237.515625 MB of memory in use. ENERGY: 3322600 4023.9863 20356.5861 14456.8759 250.2099 -203435.0055 2667.0112 0.0000 0.0000 51906.5828 -109773.7533 298.3078 -161680.3361 -109407.6535 299.0698 -88.1510 -58.1732 760179.9743 -6.8889 -6.8854 PRESSURE: 3322800 -190.549 -28.0671 -9.52282 -28.0665 -1.96706 -324.964 -9.52239 -324.964 -340.07 GPRESSURE: 3322800 -105.352 5.76441 30.7688 68.6492 -45.3968 -184.382 12.3021 -262.541 -283.709 PRESSAVG: 3322800 -17.0798 -15.0577 -14.5193 -15.0577 31.3084 -14.9265 -14.5194 -14.9266 36.5228 GPRESSAVG: 3322800 -15.3061 -15.4791 -11.6629 -15.9543 29.6456 -13.5799 -16.3226 -17.0263 36.5981 TIMING: 3322800 CPU: 10496, 0.00314442/step Wall: 10496, 0.00314442/step, 1.46495 hours remaining, 237.515625 MB of memory in use. ENERGY: 3322800 3978.2412 20622.3402 14431.5877 226.4625 -204042.5389 2855.9096 0.0000 0.0000 52095.3383 -109832.6594 299.3926 -161927.9977 -109469.2560 298.7322 -177.5288 -144.8192 760897.7866 16.9171 16.9792 PRESSURE: 3323000 -29.6677 -0.369308 122.67 -0.368694 295.178 67.4521 122.671 67.4518 170.837 GPRESSURE: 3323000 -20.2155 76.1599 229.822 -116.538 353.46 87.3294 -48.7707 -3.84062 196.921 PRESSAVG: 3323000 -18.1813 28.1653 11.6705 28.1653 79.9092 -4.23624 11.6704 -4.23623 18.3689 GPRESSAVG: 3323000 -19.4007 27.2703 10.6502 28.8336 81.9756 -4.96566 11.3273 -3.86787 17.9368 TIMING: 3323000 CPU: 10496.6, 0.00313051/step Wall: 10496.6, 0.00313051/step, 1.4583 hours remaining, 237.515625 MB of memory in use. ENERGY: 3323000 3998.5299 20587.1549 14479.2899 246.0385 -203774.2866 2781.5609 0.0000 0.0000 51917.5116 -109764.2009 298.3707 -161681.7125 -109392.9794 299.1729 145.4492 176.7216 760574.1852 26.6989 26.8372 PRESSURE: 3323200 -17.6561 136.729 31.2793 136.729 -197.664 -135.269 31.28 -135.268 21.4683 GPRESSURE: 3323200 61.8756 -10.417 -80.8702 69.5017 -187.135 -142.599 121.32 -175.501 17.6347 PRESSAVG: 3323200 -16.2989 32.7365 -15.8849 32.7365 26.4439 -17.5932 -15.8848 -17.5933 16.5419 GPRESSAVG: 3323200 -15.9191 30.6768 -16.8291 31.8877 26.0056 -18.428 -15.4313 -18.4878 16.7308 TIMING: 3323200 CPU: 10497.2, 0.00314755/step Wall: 10497.2, 0.00314755/step, 1.46606 hours remaining, 237.515625 MB of memory in use. ENERGY: 3323200 3985.8642 20512.9648 14501.7217 258.7666 -203704.1594 2926.0018 0.0000 0.0000 51896.1611 -109622.6792 298.2480 -161518.8403 -109265.3452 299.1582 -64.6172 -35.8750 762219.9324 8.8956 8.9391 PRESSURE: 3323400 -182.67 -36.3895 -1.31001 -36.388 -81.1128 125.227 -1.31084 125.228 2.74978 GPRESSURE: 3323400 -212.41 -34.006 -50.7345 -68.6768 -67.5994 138.676 8.38781 218.387 83.6646 PRESSAVG: 3323400 -9.6306 -16.5975 -30.524 -16.5975 -6.93414 -14.7137 -30.5239 -14.7137 8.91441 GPRESSAVG: 3323400 -8.80356 -14.9314 -29.4453 -15.9664 -8.85914 -14.1958 -30.1755 -12.7882 9.31963 TIMING: 3323400 CPU: 10497.9, 0.00313455/step Wall: 10497.9, 0.00313455/step, 1.45983 hours remaining, 237.515625 MB of memory in use. ENERGY: 3323400 3962.8511 20709.9922 14449.8013 254.7896 -204063.3275 2947.8622 0.0000 0.0000 52114.6705 -109623.3605 299.5037 -161738.0311 -109273.5410 299.1075 -87.0111 -65.4484 760496.2755 -2.5501 -2.7810 PRESSURE: 3323600 291.488 52.9234 65.2061 52.9229 258.11 -245.372 65.2064 -245.373 8.66917 GPRESSURE: 3323600 301.121 -74.2542 96.0665 -23.5511 336.243 -348.588 -58.428 -220.824 6.1606 PRESSAVG: 3323600 -56.8108 14.8516 -45.2428 14.8515 17.889 -20.1782 -45.2428 -20.1782 1.84869 GPRESSAVG: 3323600 -58.492 14.5001 -47.2532 15.0403 18.7933 -19.5421 -44.5807 -20.4148 2.32188 TIMING: 3323600 CPU: 10498.5, 0.00313359/step Wall: 10498.5, 0.00313359/step, 1.45921 hours remaining, 237.515625 MB of memory in use. ENERGY: 3323600 4026.8706 20433.5490 14488.9373 244.6395 -203887.5873 2842.5641 0.0000 0.0000 52188.7553 -109662.2715 299.9295 -161851.0268 -109293.9028 299.4182 186.0892 214.5084 761402.5487 -12.3577 -12.4589 PRESSURE: 3323800 -22.3418 38.321 -223.4 38.3216 -138.432 -224.691 -223.401 -224.69 -292.513 GPRESSURE: 3323800 -36.2346 70.3229 -133.735 15.2134 -81.9362 -245.764 -120.342 -187.125 -243.331 PRESSAVG: 3323800 -23.4313 3.74107 5.3701 3.74105 7.05903 -44.0464 5.37011 -44.0464 -16.5099 GPRESSAVG: 3323800 -23.1279 3.07941 5.47507 2.27858 7.40374 -44.7532 6.33043 -42.9832 -16.941 TIMING: 3323800 CPU: 10499.1, 0.00315945/step Wall: 10499.1, 0.00315945/step, 1.47107 hours remaining, 237.515625 MB of memory in use. ENERGY: 3323800 3990.8629 20653.4248 14456.2843 251.4004 -203669.8163 2588.1872 0.0000 0.0000 52098.9563 -109630.7005 299.4134 -161729.6568 -109277.4966 298.8611 -151.0957 -120.5005 763211.7750 -10.9607 -10.8884 PRESSURE: 3324000 -180.01 -45.6599 -70.5549 -45.6598 344.115 -105.06 -70.5548 -105.06 -189.576 GPRESSURE: 3324000 -64.6861 0.950756 -87.6644 -113.068 357.574 -25.5713 -55.347 -126.395 -228.509 PRESSAVG: 3324000 11.9416 20.6057 -50.4129 20.6057 -12.7368 14.8216 -50.4129 14.8217 -16.2781 GPRESSAVG: 3324000 10.3764 20.4835 -47.17 21.0404 -11.954 15.0778 -51.8208 14.9582 -15.8054 TIMING: 3324000 CPU: 10499.8, 0.00314279/step Wall: 10499.8, 0.00314279/step, 1.46314 hours remaining, 237.515625 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: 3324000 4048.1088 20657.3551 14513.8574 237.0129 -203565.1676 2627.0017 0.0000 0.0000 51759.4539 -109722.3779 297.4623 -161481.8319 -109355.5155 298.8746 -8.4903 21.4594 762777.0658 -5.6911 -5.7943 PRESSURE: 3324200 252.068 -237.87 220.006 -237.87 111.891 155.502 220.006 155.502 -178.507 GPRESSURE: 3324200 349.919 -216.083 166.183 -142.609 101.556 138.17 134.425 31.4607 -200.344 PRESSAVG: 3324200 -46.6193 4.73199 -25.9372 4.73198 -11.2969 -14.5304 -25.9372 -14.5304 -12.4997 GPRESSAVG: 3324200 -45.362 4.17868 -26.246 5.69668 -11.6835 -14.7936 -26.9584 -15.8611 -14.0577 TIMING: 3324200 CPU: 10500.4, 0.00313562/step Wall: 10500.4, 0.00313562/step, 1.45963 hours remaining, 237.515625 MB of memory in use. ENERGY: 3324200 4014.5108 20613.4629 14504.5053 246.5565 -203919.2495 2874.7815 0.0000 0.0000 51932.9767 -109732.4558 298.4595 -161665.4325 -109359.5333 298.7691 61.8173 83.7102 761352.5008 -23.4720 -23.7011 LDB: ============= START OF LOAD BALANCING ============== 10512.9 LDB: ============== END OF LOAD BALANCING =============== 10512.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10512.9 LDB: ============= START OF LOAD BALANCING ============== 10513.2 LDB: Largest compute 7075 load 0.032576 is 16.6% of average load 0.195663 LDB: Average compute 0.004345 is 2.2% of average load 0.195663 LDB: TIME 10513.2 LOAD: AVG 0.195663 MAX 0.214149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 10513.2 LOAD: AVG 0.195663 MAX 0.214149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 10513.2 LOAD: AVG 0.195663 MAX 0.214149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 10513.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10513.2 PRESSURE: 3324400 -54.2477 121.139 -79.5003 121.137 430.792 -60.5327 -79.5006 -60.5334 89.1606 GPRESSURE: 3324400 58.4067 78.8486 -71.0906 1.43306 420.446 -12.3599 -97.191 -122.849 72.8068 PRESSAVG: 3324400 -4.10857 -13.3042 0.957765 -13.3041 16.0262 -29.3144 0.957781 -29.3145 24.0008 GPRESSAVG: 3324400 -3.70448 -12.9687 -1.81333 -13.7123 16.0636 -28.9086 1.70394 -29.0267 24.3224 TIMING: 3324400 CPU: 10501, 0.00321498/step Wall: 10501, 0.00321498/step, 1.4964 hours remaining, 234.812500 MB of memory in use. ENERGY: 3324400 3954.9554 20660.9040 14505.8383 242.5951 -203418.1075 2601.2998 0.0000 0.0000 51863.0604 -109589.4546 298.0577 -161452.5149 -109236.1529 298.5667 155.2350 183.8864 762260.6220 11.9728 12.2272 PRESSURE: 3324600 427.993 -188.613 -198.082 -188.613 240.466 -12.3668 -198.082 -12.3667 -20.1894 GPRESSURE: 3324600 459.458 -188.234 -167.932 -215.153 252.238 20.3844 -98.4217 101.692 28.1383 PRESSAVG: 3324600 2.84055 12.708 5.85859 12.708 -9.39008 -30.8717 5.85855 -30.8717 8.26432 GPRESSAVG: 3324600 2.14829 12.6258 5.93054 13.1432 -10.0124 -30.4199 6.01672 -30.8882 9.07911 TIMING: 3324600 CPU: 10501.7, 0.00316689/step Wall: 10501.7, 0.00316689/step, 1.47384 hours remaining, 235.015625 MB of memory in use. ENERGY: 3324600 3943.1899 20476.5394 14543.3268 242.2462 -204033.1847 2966.0866 0.0000 0.0000 52243.7334 -109618.0623 300.2455 -161861.7957 -109243.1692 298.8793 216.0897 246.6115 761891.2210 0.5716 0.4050 PRESSURE: 3324800 141.712 87.289 309.537 87.2883 -154.328 106.013 309.537 106.014 -212.477 GPRESSURE: 3324800 177.405 218.17 350.349 36.3143 -111.757 120.618 184.447 -27.1731 -209.416 PRESSAVG: 3324800 36.5127 20.4348 -15.5054 20.4348 9.2067 -10.1555 -15.5054 -10.1555 14.5724 GPRESSAVG: 3324800 36.3517 23.1987 -14.2435 20.3113 9.38815 -11.984 -16.419 -13.5137 14.7007 TIMING: 3324800 CPU: 10502.3, 0.0031489/step Wall: 10502.3, 0.0031489/step, 1.46529 hours remaining, 235.015625 MB of memory in use. ENERGY: 3324800 4004.1292 20537.2458 14462.5511 259.3021 -203461.4343 2662.4078 0.0000 0.0000 51921.2510 -109614.5472 298.3921 -161535.7983 -109253.9461 299.2592 -75.0307 -47.9226 761324.7573 20.0973 20.1468 PRESSURE: 3325000 29.3726 43.0998 100.541 43.0994 124.078 -31.9794 100.541 -31.979 234.041 GPRESSURE: 3325000 60.2236 103.472 57.1084 56.6701 131.457 5.45488 83.9167 -41.2145 274.361 PRESSAVG: 3325000 -20.7457 8.80948 -3.94475 8.80943 81.3733 -24.8977 -3.94473 -24.8978 2.61904 GPRESSAVG: 3325000 -20.4757 7.09861 -6.38454 9.39059 80.8449 -21.6888 -4.64088 -22.9283 3.06985 TIMING: 3325000 CPU: 10502.9, 0.00317566/step Wall: 10502.9, 0.00317566/step, 1.47756 hours remaining, 235.015625 MB of memory in use. ENERGY: 3325000 3972.2362 20605.7053 14484.1511 241.1286 -203685.9753 2758.0990 0.0000 0.0000 51974.1302 -109650.5249 298.6960 -161624.6552 -109279.0375 299.0133 129.1639 155.3472 762232.9709 21.0822 21.1464 PRESSURE: 3325200 54.4546 -277.66 39.8163 -277.66 213.671 71.9042 39.8158 71.9038 -33.6608 GPRESSURE: 3325200 70.4382 -219.605 110.516 -192.184 277.905 122.27 6.36115 30.2976 -26.8201 PRESSAVG: 3325200 3.22226 4.34584 -42.0737 4.34585 -23.2308 0.806883 -42.0738 0.80694 7.82571 GPRESSAVG: 3325200 4.64458 6.42306 -41.138 4.79662 -23.4066 1.00032 -40.5369 1.48954 6.81097 TIMING: 3325200 CPU: 10503.6, 0.00313768/step Wall: 10503.6, 0.00313768/step, 1.45972 hours remaining, 235.015625 MB of memory in use. ENERGY: 3325200 3895.3750 20735.4752 14437.8661 229.1979 -203589.5503 2742.7527 0.0000 0.0000 51921.3594 -109627.5241 298.3928 -161548.8835 -109257.5638 298.2770 78.1550 107.1742 762435.3995 -4.0610 -3.9837 PRESSURE: 3325400 -48.9945 -92.0497 -62.4218 -92.0485 214.14 45.6475 -62.422 45.6483 -205.447 GPRESSURE: 3325400 10.8638 -98.6163 4.48212 -121.044 261.097 84.3167 -56.8137 -44.8974 -210.978 PRESSAVG: 3325400 -43.8571 16.3101 15.8265 16.3101 33.0613 6.28353 15.8265 6.28352 -17.2657 GPRESSAVG: 3325400 -44.4798 14.387 15.7867 15.32 33.6848 4.58353 15.3768 6.85153 -17.3071 TIMING: 3325400 CPU: 10504.2, 0.00314562/step Wall: 10504.2, 0.00314562/step, 1.46324 hours remaining, 235.015625 MB of memory in use. ENERGY: 3325400 4011.7507 20648.9297 14525.0656 264.3769 -203608.3643 2728.8354 0.0000 0.0000 52063.6779 -109365.7282 299.2107 -161429.4061 -108997.4159 299.2175 -13.4339 20.3274 760563.2543 -9.3538 -9.3674 PRESSURE: 3325600 236.542 -61.3552 136.65 -61.3562 118.921 -50.2804 136.651 -50.2784 93.1301 GPRESSURE: 3325600 245.046 41.5362 125.931 -15.9908 173.63 -25.9877 120.468 -19.698 119.115 PRESSAVG: 3325600 24.3734 -17.1185 -1.7525 -17.1184 -16.408 -20.4587 -1.75251 -20.4587 12.1486 GPRESSAVG: 3325600 24.2547 -17.3202 -1.29006 -18.0361 -15.9907 -20.4624 -4.48857 -22.1676 12.0016 TIMING: 3325600 CPU: 10504.8, 0.00315341/step Wall: 10504.8, 0.00315341/step, 1.46669 hours remaining, 235.015625 MB of memory in use. ENERGY: 3325600 4019.6677 20597.9584 14449.8714 250.2267 -203667.3986 2877.1266 0.0000 0.0000 52024.2056 -109448.3421 298.9838 -161472.5477 -109088.6692 298.9152 149.5311 179.2634 761306.8302 6.7047 6.7552 PRESSURE: 3325800 -175.121 -164.872 -76.0109 -164.872 -3.20895 72.2499 -76.0114 72.2518 465.747 GPRESSURE: 3325800 -53.1238 -128.109 42.0575 -269.038 -44.8492 28.5857 -80.1029 39.8433 455.372 PRESSAVG: 3325800 58.5441 -12.3393 -13.1638 -12.3393 -37.8907 10.4982 -13.1638 10.4982 -7.05862 GPRESSAVG: 3325800 56.7234 -12.4916 -12.919 -10.8734 -37.6001 10.5482 -11.3102 13.5429 -5.58154 TIMING: 3325800 CPU: 10505.4, 0.00315872/step Wall: 10505.4, 0.00315872/step, 1.46898 hours remaining, 235.015625 MB of memory in use. ENERGY: 3325800 4004.6445 20568.7786 14519.9509 235.9821 -203648.0112 2844.7373 0.0000 0.0000 51911.1187 -109562.7990 298.3339 -161473.9178 -109201.3108 298.9506 95.8057 119.1329 761483.9434 4.5316 4.5139 PRESSURE: 3326000 -190.936 17.3591 -109.446 17.3584 265.385 18.7695 -109.447 18.7696 -240.959 GPRESSURE: 3326000 -121.281 9.68775 -114.558 -16.0518 239.686 11.5511 -150.248 117.869 -203.871 PRESSAVG: 3326000 -21.9029 -9.52648 -26.9101 -9.52643 -3.90193 -0.248527 -26.9101 -0.248472 -9.36251 GPRESSAVG: 3326000 -20.5649 -9.98064 -27.7722 -8.54636 -4.71417 0.514012 -26.8596 -3.88782 -9.02242 TIMING: 3326000 CPU: 10506.1, 0.00317018/step Wall: 10506.1, 0.00317018/step, 1.47414 hours remaining, 235.015625 MB of memory 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 3930.2129 20502.5522 14474.8451 230.5059 -203526.3266 2649.5158 0.0000 0.0000 52163.5610 -109575.1338 299.7847 -161738.6947 -109205.7771 299.2631 -55.5033 -28.4886 762301.0715 -11.7224 -11.4338 PRESSURE: 3326200 -239.662 18.7423 -188.873 18.7422 66.2069 86.1042 -188.873 86.1044 -149.161 GPRESSURE: 3326200 -158.21 27.2753 -117.402 -30.431 103.317 -15.0485 -65.154 249.445 -193.758 PRESSAVG: 3326200 38.6621 -30.8789 -2.87184 -30.8789 -31.9593 6.62878 -2.87182 6.62879 -24.6281 GPRESSAVG: 3326200 38.5836 -28.9474 -3.27481 -34.1147 -30.568 6.43406 -1.97676 6.06355 -25.94 TIMING: 3326200 CPU: 10506.7, 0.0031586/step Wall: 10506.7, 0.0031586/step, 1.46857 hours remaining, 235.015625 MB of memory in use. ENERGY: 3326200 3971.1025 20586.7956 14497.4822 235.4786 -203336.4648 2461.6374 0.0000 0.0000 51866.2849 -109717.6836 298.0763 -161583.9685 -109357.1447 298.3837 -107.5388 -82.8835 761659.5259 -5.9751 -5.9748 PRESSURE: 3326400 465.368 103.474 -156.669 103.473 10.4175 29.9353 -156.669 29.9355 304.175 GPRESSURE: 3326400 489.99 102.876 -178.173 88.8313 31.7986 12.4039 -83.482 -64.7335 327.133 PRESSAVG: 3326400 -27.5187 -13.5466 15.9932 -13.5466 24.6984 75.9264 15.9932 75.9263 -32.755 GPRESSAVG: 3326400 -28.5235 -13.1016 16.9273 -12.0795 25.0494 75.8293 14.512 77.4082 -32.8259 TIMING: 3326400 CPU: 10507.3, 0.00314911/step Wall: 10507.3, 0.00314911/step, 1.46399 hours remaining, 235.015625 MB of memory in use. ENERGY: 3326400 3935.8224 20486.0574 14484.0768 223.4922 -203607.0509 2676.5570 0.0000 0.0000 52208.2841 -109592.7611 300.0417 -161801.0452 -109223.7667 298.6295 259.9869 282.9740 761110.6174 -11.8584 -12.1000 PRESSURE: 3326600 -299.253 297.657 -29.3871 297.658 -4.69099 -91.9279 -29.387 -91.9296 -54.6879 GPRESSURE: 3326600 -217.036 227.054 16.1155 158.955 -15.4983 -81.0377 14.4481 -29.0575 -45.4568 PRESSAVG: 3326600 8.42522 26.792 -26.8914 26.792 -13.0178 46.4672 -26.8914 46.4671 3.3112 GPRESSAVG: 3326600 9.02631 26.1779 -26.7549 27.9635 -13.9341 46.1939 -26.6494 45.8623 3.85332 TIMING: 3326600 CPU: 10508, 0.00315186/step Wall: 10508, 0.00315186/step, 1.46509 hours remaining, 235.015625 MB of memory in use. ENERGY: 3326600 3937.1529 20638.0770 14457.4540 256.5658 -203094.7664 2299.9027 0.0000 0.0000 52083.9119 -109421.7021 299.3270 -161505.6140 -109053.9753 299.3327 -119.5439 -92.6638 760857.9469 -0.4271 -0.3515 PRESSURE: 3326800 -108.79 58.7095 -0.188104 58.7104 311.376 -42.543 -0.187081 -42.5438 359.699 GPRESSURE: 3326800 -3.38468 10.8404 -23.8483 111.774 276.663 -63.3647 -57.8209 -44.8085 366.062 PRESSAVG: 3326800 -81.7026 -1.56633 -75.0026 -1.56631 67.5377 1.86555 -75.0026 1.86546 32.6565 GPRESSAVG: 3326800 -81.6741 -2.69225 -73.9621 -3.12885 67.8094 3.73505 -73.758 2.21804 33.0483 TIMING: 3326800 CPU: 10508.6, 0.00314312/step Wall: 10508.6, 0.00314312/step, 1.46085 hours remaining, 235.015625 MB of memory in use. ENERGY: 3326800 3917.0216 20711.5231 14493.6435 224.5648 -203892.7764 2990.8369 0.0000 0.0000 52117.4884 -109437.6981 299.5199 -161555.1865 -109064.1303 299.5098 187.4287 213.1134 762060.5352 6.1639 6.3945 PRESSURE: 3327000 -181.176 -11.357 -53.5006 -11.3578 42.166 20.4345 -53.5004 20.4355 -71.6672 GPRESSURE: 3327000 -104.477 4.59022 -48.0873 -20.831 75.5243 -51.7117 64.0526 5.90535 -95.4639 PRESSAVG: 3327000 -27.0369 -8.44004 24.3 -8.43994 136.599 4.05561 24.3 4.05561 1.47085 GPRESSAVG: 3327000 -26.5003 -7.70713 22.3111 -7.31267 136.104 1.63988 21.4793 3.39643 0.981673 TIMING: 3327000 CPU: 10509.2, 0.00314712/step Wall: 10509.2, 0.00314711/step, 1.46253 hours remaining, 235.015625 MB of memory in use. ENERGY: 3327000 3964.3651 20632.3593 14457.1478 244.0481 -202927.3843 2349.5121 0.0000 0.0000 51885.9788 -109393.9731 298.1894 -161279.9519 -109033.3876 299.5803 -70.2256 -41.4721 761898.0032 37.0110 36.8617 PRESSURE: 3327200 277.004 82.3961 94.7016 82.3961 -35.6402 4.62587 94.7015 4.62688 238.947 GPRESSURE: 3327200 255.857 -49.1546 91.5319 -107.505 4.64658 -37.6135 58.7085 -35.1998 321.933 PRESSAVG: 3327200 -14.0912 26.5422 -27.2978 26.5422 28.6832 -14.4958 -27.2978 -14.4958 -25.815 GPRESSAVG: 3327200 -16.1366 26.2447 -27.481 24.6773 29.2792 -14.2514 -25.7128 -13.5851 -24.0503 TIMING: 3327200 CPU: 10509.9, 0.00314682/step Wall: 10509.9, 0.00314682/step, 1.46222 hours remaining, 235.015625 MB of memory in use. ENERGY: 3327200 4006.5748 20576.1926 14506.9511 244.8381 -203472.5769 2592.5285 0.0000 0.0000 52116.3823 -109429.1095 299.5136 -161545.4918 -109069.0127 299.8191 160.1038 194.1457 760374.0417 -3.7410 -3.6359 PRESSURE: 3327400 167.995 -106.327 -408.071 -106.327 -54.037 -115.808 -408.072 -115.808 392.217 GPRESSURE: 3327400 150.894 11.9097 -286.876 -17.1616 35.5615 -153.944 -261.736 -110.342 394.824 PRESSAVG: 3327400 4.95835 -43.5965 24.9898 -43.5965 40.0898 -32.6409 24.9897 -32.641 10.1984 GPRESSAVG: 3327400 5.848 -44.941 24.9522 -42.4345 38.4571 -34.0552 25.2122 -33.7886 10.7915 TIMING: 3327400 CPU: 10510.5, 0.0031691/step Wall: 10510.5, 0.0031691/step, 1.4724 hours remaining, 235.015625 MB of memory in use. ENERGY: 3327400 3968.3865 20710.0798 14421.7405 246.5627 -203649.7908 2742.3220 0.0000 0.0000 52075.5375 -109485.1618 299.2788 -161560.6993 -109122.9076 299.2716 168.7252 193.7597 760276.8739 18.4155 18.3655 PRESSURE: 3327600 -279.19 78.9794 -219.16 78.9807 425.422 44.1641 -219.16 44.164 -153.353 GPRESSURE: 3327600 -198.101 23.0885 -187.554 161.832 410.263 106.16 -77.7112 119.223 -119.18 PRESSAVG: 3327600 -14.1262 -29.9206 -31.53 -29.9206 25.2209 -16.1474 -31.53 -16.1473 -10.6074 GPRESSAVG: 3327600 -12.2342 -29.2221 -31.0861 -30.6243 24.991 -16.1976 -30.5092 -16.0028 -12.0554 TIMING: 3327600 CPU: 10511.1, 0.00316234/step Wall: 10511.1, 0.00316234/step, 1.46908 hours remaining, 235.015625 MB of memory in use. ENERGY: 3327600 3955.1717 20710.1510 14459.6783 259.1739 -203566.0484 2736.3202 0.0000 0.0000 51944.8548 -109500.6984 298.5278 -161445.5533 -109146.1705 299.6143 -2.3733 30.9939 760014.9849 0.1624 0.2338 PRESSURE: 3327800 -199.317 74.8852 -241.026 74.886 -231.469 -8.6942 -241.026 -8.69537 283.567 GPRESSURE: 3327800 -136.426 40.6856 -226.191 65.9189 -265.532 -21.2049 -314.85 -66.1214 354.651 PRESSAVG: 3327800 -1.1327 28.5117 -4.16301 28.5117 18.2204 54.9731 -4.16295 54.9731 10.2485 GPRESSAVG: 3327800 -1.80268 29.1695 -2.66011 28.9788 18.5917 56.4106 -4.94347 55.855 10.3791 TIMING: 3327800 CPU: 10511.8, 0.00317659/step Wall: 10511.8, 0.00317659/step, 1.47553 hours remaining, 235.015625 MB of memory in use. ENERGY: 3327800 3935.8217 20475.5692 14442.5443 240.2330 -203343.5576 2398.7280 0.0000 0.0000 52068.9482 -109781.7133 299.2410 -161850.6615 -109418.1176 299.2094 -49.0730 -15.7688 761835.9654 9.1121 9.0560 PRESSURE: 3328000 -118.888 254.971 146.297 254.971 -182.023 -98.8222 146.297 -98.8218 2.02669 GPRESSURE: 3328000 -155.577 252.696 99.421 148.58 -87.7795 -72.7923 23.9385 -153.834 48.5384 PRESSAVG: 3328000 29.3054 51.6822 5.9586 51.6823 -4.78858 -10.5362 5.95867 -10.5363 -11.4498 GPRESSAVG: 3328000 29.2207 52.3045 6.81307 50.4298 -4.81836 -12.1209 4.33267 -10.5846 -11.6225 TIMING: 3328000 CPU: 10512.4, 0.00317261/step Wall: 10512.4, 0.00317261/step, 1.4735 hours remaining, 235.015625 MB of memory 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 4056.7435 20449.6228 14477.8145 237.6398 -203561.4111 2620.3363 0.0000 0.0000 52078.2386 -109641.0155 299.2944 -161719.2542 -109279.1521 298.9559 -99.6282 -64.9394 761024.0794 4.3557 4.2599 PRESSURE: 3328200 -230.236 271.788 -147.675 271.788 -276.494 131.343 -147.675 131.342 -226.129 GPRESSURE: 3328200 -87.2167 237.796 -174.602 338.907 -211.432 166.614 -91.6782 177.308 -375.563 PRESSAVG: 3328200 1.05088 3.38179 -40.2455 3.38186 1.60199 -34.8864 -40.2455 -34.8864 -7.3124 GPRESSAVG: 3328200 1.24746 1.78116 -40.5944 4.93247 2.14818 -33.5311 -40.6208 -35.2176 -7.95588 TIMING: 3328200 CPU: 10513, 0.00316208/step Wall: 10513, 0.00316208/step, 1.46844 hours remaining, 235.015625 MB of memory in use. ENERGY: 3328200 4006.6245 20534.1062 14484.7886 252.1865 -203629.3062 2515.0543 0.0000 0.0000 52088.1743 -109748.3717 299.3515 -161836.5460 -109384.4638 299.3069 -244.2865 -224.7374 762091.9702 -1.5532 -1.5201 LDB: ============= START OF LOAD BALANCING ============== 10525.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10525.6 LDB: =============== DONE WITH MIGRATION ================ 10525.6 LDB: ============= START OF LOAD BALANCING ============== 10525.9 LDB: Largest compute 7075 load 0.035507 is 18.1% of average load 0.195633 LDB: Average compute 0.004350 is 2.2% of average load 0.195633 LDB: TIME 10525.9 LOAD: AVG 0.195633 MAX 0.214711 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.809 MB LDB: TIME 10525.9 LOAD: AVG 0.195633 MAX 0.214711 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.809 MB LDB: TIME 10525.9 LOAD: AVG 0.195633 MAX 0.214711 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.809 MB LDB: ============== END OF LOAD BALANCING =============== 10525.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10525.9 PRESSURE: 3328400 -97.8862 -81.2128 74.2604 -81.2122 -189.573 -75.8164 74.2613 -75.8156 212.596 GPRESSURE: 3328400 -66.6631 0.478554 103.783 -223.242 -163.332 -91.6897 67.9903 -112.057 226.379 PRESSAVG: 3328400 -22.7263 3.41019 -14.6956 3.41019 -10.7283 5.10536 -14.6955 5.10544 -19.5228 GPRESSAVG: 3328400 -22.9054 3.93643 -13.9634 4.41037 -11.0792 5.31422 -12.695 4.87515 -18.9587 TIMING: 3328400 CPU: 10513.7, 0.00324527/step Wall: 10513.7, 0.00324527/step, 1.50689 hours remaining, 235.964844 MB of memory in use. ENERGY: 3328400 3982.0423 20598.9049 14497.0921 240.2227 -203498.6759 2413.8207 0.0000 0.0000 51803.6349 -109962.9583 297.7162 -161766.5932 -109603.0336 298.3081 -24.9542 -1.2052 761048.4337 -17.6591 -17.6478 PRESSURE: 3328600 -108.062 233.437 -119.887 233.438 -156.971 28.8152 -119.887 28.8154 28.36 GPRESSURE: 3328600 -143.068 310.268 -48.969 192.499 -103.112 23.0115 -146.839 11.1549 89.4619 PRESSAVG: 3328600 41.3733 -30.2349 -61.6964 -30.2348 -35.6127 -15.7282 -61.6963 -15.7282 12.9965 GPRESSAVG: 3328600 40.6747 -29.9271 -63.8663 -30.8524 -33.9081 -16.027 -61.0722 -16.8678 12.5854 TIMING: 3328600 CPU: 10514.3, 0.00317763/step Wall: 10514.3, 0.00317763/step, 1.4753 hours remaining, 236.167969 MB of memory in use. ENERGY: 3328600 3999.0197 20482.2265 14497.8762 253.3071 -203367.4721 2423.6646 0.0000 0.0000 51729.0181 -109982.3599 297.2874 -161711.3780 -109623.4786 298.0234 -78.8908 -52.2394 760672.1100 6.2524 6.4507 PRESSURE: 3328800 -93.8186 103.531 131.197 103.532 9.80601 -16.6032 131.196 -16.6028 -129.785 GPRESSURE: 3328800 -45.1052 14.0015 96.4885 91.6923 115.624 0.663806 99.4595 35.827 -210.669 PRESSAVG: 3328800 55.9712 5.11223 -26.5468 5.11217 -68.2894 14.9857 -26.5469 14.9856 -10.5226 GPRESSAVG: 3328800 57.304 3.76714 -26.3949 4.74508 -69.0779 14.1462 -28.0562 17.3064 -10.9082 TIMING: 3328800 CPU: 10514.9, 0.0031558/step Wall: 10514.9, 0.0031558/step, 1.46499 hours remaining, 236.167969 MB of memory in use. ENERGY: 3328800 3959.7108 20373.1511 14567.2082 248.1239 -203535.5417 2622.8268 0.0000 0.0000 51869.1089 -109895.4119 298.0925 -161764.5209 -109536.3404 298.1360 -71.2660 -46.7170 761958.8293 -7.6136 -7.5607 PRESSURE: 3329000 194.611 -111.678 -145.856 -111.677 351.284 40.3983 -145.856 40.3979 17.5364 GPRESSURE: 3329000 266.34 -154.38 -56.8788 -75.0116 342.667 10.4866 -105.747 144.137 23.8191 PRESSAVG: 3329000 6.51621 -26.8803 -31.9419 -26.8803 -51.9803 26.3601 -31.9418 26.36 -14.0341 GPRESSAVG: 3329000 6.21204 -25.32 -33.2218 -27.9504 -53.0444 26.1514 -32.431 25.4432 -12.699 TIMING: 3329000 CPU: 10515.6, 0.00315748/step Wall: 10515.6, 0.00315749/step, 1.4656 hours remaining, 236.167969 MB of memory in use. ENERGY: 3329000 4019.7656 20372.4585 14515.6940 262.9464 -203783.8509 2735.6088 0.0000 0.0000 52041.9821 -109835.3955 299.0860 -161877.3776 -109465.6039 298.2075 187.8106 210.9420 762318.1257 -19.8327 -19.8438 PRESSURE: 3329200 -199.898 108.766 23.3217 108.766 -233.9 -131.484 23.3223 -131.483 -21.5313 GPRESSURE: 3329200 -160.82 52.6629 22.622 100.797 -181.558 -193.286 26.5667 24.1771 -24.9073 PRESSAVG: 3329200 46.7521 -55.6293 -43.3805 -55.6293 -33.5293 -12.804 -43.3804 -12.804 19.7257 GPRESSAVG: 3329200 45.5405 -56.0359 -40.9205 -53.5896 -31.9116 -11.8407 -43.9629 -11.9589 18.9182 TIMING: 3329200 CPU: 10516.2, 0.00315885/step Wall: 10516.2, 0.00315885/step, 1.46606 hours remaining, 236.167969 MB of memory in use. ENERGY: 3329200 3964.7381 20476.5409 14495.5818 245.4139 -203921.3346 2841.1682 0.0000 0.0000 51882.9019 -110014.9899 298.1718 -161897.8918 -109650.5457 298.1528 -151.7763 -122.4285 761467.3425 10.9828 10.8490 PRESSURE: 3329400 -558.303 -42.5399 -248.323 -42.5398 -387.307 -186.017 -248.324 -186.018 -225.164 GPRESSURE: 3329400 -533.052 14.8543 -258.59 -53.4619 -385.662 -93.6825 -128.322 -63.0824 -174.147 PRESSAVG: 3329400 -11.6915 -46.8403 33.1635 -46.8403 -7.35201 44.0415 33.1635 44.0415 -1.09895 GPRESSAVG: 3329400 -11.258 -47.5626 33.6558 -46.501 -8.32447 44.9381 34.5818 43.8 -1.00141 TIMING: 3329400 CPU: 10516.8, 0.00317248/step Wall: 10516.8, 0.00317248/step, 1.47221 hours remaining, 236.167969 MB of memory in use. ENERGY: 3329400 4023.8739 20517.9503 14486.9695 244.7755 -203544.5553 2656.3468 0.0000 0.0000 51982.3632 -109632.2762 298.7434 -161614.6393 -109271.9853 298.3850 -390.2578 -364.2868 765386.5162 -6.7142 -6.8613 PRESSURE: 3329600 96.5354 -126.485 -59.655 -126.485 188.175 207.228 -59.6553 207.228 101.745 GPRESSURE: 3329600 71.6454 -65.9146 -2.57117 -31.0635 259.492 150.94 -53.2443 173.703 142.151 PRESSAVG: 3329600 0.327296 -51.8074 34.738 -51.8074 -42.9252 11.9997 34.738 11.9997 -2.85557 GPRESSAVG: 3329600 -0.566902 -51.1239 33.0199 -51.197 -43.0112 11.2343 32.7927 10.9051 -1.54794 TIMING: 3329600 CPU: 10517.5, 0.00315356/step Wall: 10517.5, 0.00315356/step, 1.46325 hours remaining, 236.167969 MB of memory in use. ENERGY: 3329600 3892.9301 20469.1692 14441.8670 250.1028 -203562.5052 2754.1696 0.0000 0.0000 51843.2631 -109911.0034 297.9439 -161754.2665 -109541.4103 298.6660 128.8185 157.7626 761012.2554 -15.1512 -15.0420 PRESSURE: 3329800 -16.3719 10.6873 -91.6835 10.6863 -150.297 248.84 -91.6841 248.84 85.8791 GPRESSURE: 3329800 75.2188 -11.6603 -47.3202 43.7063 -80.0236 222.914 -61.9543 255.837 20.8569 PRESSAVG: 3329800 39.3753 -47.0147 -0.0481564 -47.0148 -24.3581 107.167 -0.0480928 107.167 18.1143 GPRESSAVG: 3329800 39.3315 -45.6403 -0.529212 -46.6181 -23.2222 107.423 0.244639 108.273 17.0897 TIMING: 3329800 CPU: 10518.1, 0.00315676/step Wall: 10518.1, 0.00315676/step, 1.46456 hours remaining, 236.167969 MB of memory in use. ENERGY: 3329800 3930.4740 20449.2734 14431.7003 241.8557 -203564.7917 2639.6454 0.0000 0.0000 51844.5811 -110027.2618 297.9515 -161871.8429 -109669.2969 298.0000 -26.9299 5.3507 761668.9040 11.0438 11.0663 PRESSURE: 3330000 -249.341 -95.9454 -27.9811 -95.9454 -22.4851 142.672 -27.9807 142.671 250.927 GPRESSURE: 3330000 -280.518 -148.046 -1.14528 -174.132 90.459 14.1718 -69.9568 236.983 248.796 PRESSAVG: 3330000 -22.8209 -49.0588 9.15637 -49.0587 -2.44869 88.0743 9.15637 88.0742 -1.61313 GPRESSAVG: 3330000 -22.4701 -49.0661 8.51374 -50.6275 -2.39217 87.6516 10.4224 89.5782 -1.78482 TIMING: 3330000 CPU: 10518.7, 0.00316192/step Wall: 10518.7, 0.00316192/step, 1.46678 hours remaining, 236.156250 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: 3330000 4090.4551 20389.1319 14510.2205 248.4606 -203708.8155 2619.8017 0.0000 0.0000 51826.1156 -110024.6301 297.8454 -161850.7457 -109660.7814 298.0487 -6.9664 19.5790 760639.3868 -8.9609 -8.8824 PRESSURE: 3330200 400.075 -112.662 -276.682 -112.662 248.101 236.217 -276.682 236.219 125.458 GPRESSURE: 3330200 387.433 -58.3067 -292.409 -37.2222 287.195 211.476 -323.363 136.591 169.415 PRESSAVG: 3330200 -58.3176 9.61705 26.2926 9.61704 4.81806 45.4898 26.2926 45.4898 -9.24734 GPRESSAVG: 3330200 -56.7156 8.45488 28.9381 8.99358 3.61526 44.2217 23.4183 43.0586 -9.55124 TIMING: 3330200 CPU: 10519.4, 0.00315148/step Wall: 10519.4, 0.00315148/step, 1.46176 hours remaining, 236.156250 MB of memory in use. ENERGY: 3330200 4081.4861 20351.8064 14496.9222 221.4403 -203806.9400 2991.4179 0.0000 0.0000 51915.9288 -109747.9382 298.3616 -161663.8671 -109399.4143 298.0100 257.8778 281.3479 761653.4103 -20.9156 -20.8839 PRESSURE: 3330400 -207.168 -20.2108 -91.081 -20.2111 -21.2016 35.6968 -91.0816 35.697 128.16 GPRESSURE: 3330400 -195.814 -87.1215 -65.868 5.51267 20.4896 99.0733 117.622 44.1483 147.454 PRESSAVG: 3330400 -24.8211 -24.5426 14.5079 -24.5426 50.8963 -43.5898 14.5079 -43.5898 14.2041 GPRESSAVG: 3330400 -27.2614 -24.3885 12.1974 -22.9103 52.1519 -42.6939 19.0056 -41.6655 15.1543 TIMING: 3330400 CPU: 10520, 0.00313497/step Wall: 10520, 0.00313497/step, 1.45393 hours remaining, 236.156250 MB of memory in use. ENERGY: 3330400 4085.5996 20524.6504 14452.6395 237.7829 -203834.0173 2544.6145 0.0000 0.0000 52161.2463 -109827.4843 299.7714 -161988.7305 -109469.4099 299.1503 -33.4033 -9.2903 760634.6602 13.4264 13.3483 PRESSURE: 3330600 39.104 -215.494 140.712 -215.494 -203.267 -91.8255 140.71 -91.8259 46.2629 GPRESSURE: 3330600 108.543 -185.013 142.568 -217.958 -286.535 -137.93 176.268 -118.972 135.683 PRESSAVG: 3330600 17.632 -48.7397 -22.0986 -48.7398 -12.047 24.2128 -22.0986 24.2128 18.7572 GPRESSAVG: 3330600 18.0734 -49.3983 -20.7467 -47.9619 -12.3951 24.0702 -24.131 23.1256 19.3373 TIMING: 3330600 CPU: 10520.6, 0.00316812/step Wall: 10520.6, 0.00316812/step, 1.46913 hours remaining, 236.156250 MB of memory in use. ENERGY: 3330600 3957.5799 20500.2763 14405.4165 244.4828 -203439.6923 2509.6299 0.0000 0.0000 51931.6205 -109890.6865 298.4517 -161822.3070 -109520.9236 298.4478 -39.3002 -14.1031 761576.4869 8.1141 8.3385 PRESSURE: 3330800 -113.122 12.8984 -6.43255 12.898 -322.089 -146.522 -6.43224 -146.52 195.713 GPRESSURE: 3330800 -64.9048 -76.8017 4.62306 -161.876 -302.227 -122.799 -172.327 -96.3883 212.733 PRESSAVG: 3330800 56.8859 -38.8749 30.0568 -38.8749 -56.7927 -12.4179 30.0567 -12.418 7.25041 GPRESSAVG: 3330800 59.4384 -39.2354 29.0185 -42.5879 -58.1669 -12.622 28.5598 -12.2979 5.87157 TIMING: 3330800 CPU: 10521.3, 0.00316237/step Wall: 10521.3, 0.00316237/step, 1.46629 hours remaining, 236.156250 MB of memory in use. ENERGY: 3330800 4036.6397 20406.4494 14415.9067 239.3400 -203526.2145 2605.2578 0.0000 0.0000 51784.2778 -110038.3432 297.6050 -161822.6210 -109683.0797 298.1889 -79.8324 -51.4662 760839.4133 2.4479 2.3810 PRESSURE: 3331000 -76.1992 -443.852 107.02 -443.851 -168.844 27.9274 107.021 27.9274 185.233 GPRESSURE: 3331000 -16.8768 -333.284 53.7561 -366.787 -145.773 0.30042 74.9738 90.1914 190.764 PRESSAVG: 3331000 28.3836 -51.1534 52.633 -51.1535 -5.22454 -20.5746 52.633 -20.5746 27.1624 GPRESSAVG: 3331000 27.8076 -51.0058 52.9238 -46.8587 -3.0763 -19.8447 52.3465 -21.8357 26.6699 TIMING: 3331000 CPU: 10521.9, 0.00316118/step Wall: 10521.9, 0.00316118/step, 1.46556 hours remaining, 236.167969 MB of memory in use. ENERGY: 3331000 3969.6598 20416.8389 14346.6687 229.8958 -203662.8404 2701.9342 0.0000 0.0000 51756.6964 -110241.1466 297.4464 -161997.8430 -109888.0740 297.4039 -19.9366 9.3713 761846.9167 16.7738 17.1338 PRESSURE: 3331200 82.945 90.5212 359.275 90.5216 -88.0856 -145.597 359.275 -145.596 292.189 GPRESSURE: 3331200 108.31 -62.836 273.608 78.2404 -38.1688 -217.109 349.138 50.2346 299.23 PRESSAVG: 3331200 -3.70747 23.5137 42.3448 23.5137 -9.55607 32.118 42.3448 32.1179 -17.7648 GPRESSAVG: 3331200 -3.52308 24.7966 40.8224 18.8754 -9.25456 31.4623 44.4072 33.7728 -17.8877 TIMING: 3331200 CPU: 10522.5, 0.0031531/step Wall: 10522.5, 0.0031531/step, 1.46164 hours remaining, 236.156250 MB of memory in use. ENERGY: 3331200 3918.3794 20415.7859 14414.7855 244.9596 -203612.6333 2709.7743 0.0000 0.0000 51766.0357 -110142.9130 297.5001 -161908.9486 -109784.4744 297.6821 95.6829 123.1238 761101.3088 -10.3428 -10.2218 PRESSURE: 3331400 81.6664 -7.72275 -18.2241 -7.72315 15.3562 -289.266 -18.2243 -289.266 70.4113 GPRESSURE: 3331400 134.217 58.1148 49.3566 53.8146 49.1192 -265.832 6.39177 -397.541 77.6498 PRESSAVG: 3331400 -3.26799 -9.20425 16.7859 -9.20425 16.2523 -12.4142 16.7859 -12.4143 9.43512 GPRESSAVG: 3331400 -2.88155 -9.83613 18.2693 -7.95576 14.1185 -11.1318 15.1341 -13.2122 11.1838 TIMING: 3331400 CPU: 10523.2, 0.00317416/step Wall: 10523.2, 0.00317416/step, 1.47122 hours remaining, 236.156250 MB of memory in use. ENERGY: 3331400 3925.2817 20478.7172 14505.7099 225.1008 -203782.8843 3080.9079 0.0000 0.0000 51873.7077 -109693.4590 298.1189 -161567.1667 -109340.3423 298.2216 55.8113 86.9953 761276.5262 7.4732 7.4736 PRESSURE: 3331600 -82.0654 75.9741 -243.25 75.9738 -131.437 80.5826 -243.25 80.5835 4.06974 GPRESSURE: 3331600 -9.21326 117.164 -227.896 115.828 -141.515 97.3252 -131.137 73.6562 19.9406 PRESSAVG: 3331600 45.5551 24.2929 80.5493 24.2929 -2.65517 41.262 80.5493 41.2621 0.843281 GPRESSAVG: 3331600 44.5301 25.7107 81.1585 24.5748 -0.667258 41.1697 80.041 41.0952 0.076134 TIMING: 3331600 CPU: 10523.8, 0.00314547/step Wall: 10523.8, 0.00314547/step, 1.45775 hours remaining, 236.156250 MB of memory in use. ENERGY: 3331600 4031.7358 20552.7717 14380.8196 244.4161 -203507.8152 2831.9809 0.0000 0.0000 51829.1746 -109636.9164 297.8630 -161466.0910 -109284.8319 298.2457 -69.8110 -43.5958 762358.3047 14.5811 14.6463 PRESSURE: 3331800 108.321 -27.7216 -194.614 -27.7216 -24.4286 -9.55183 -194.614 -9.55301 107.781 GPRESSURE: 3331800 223.548 -188.762 -226.253 -0.639645 -37.7958 -19.4309 -174.499 30.4652 86.3843 PRESSAVG: 3331800 -12.3812 0.366417 47.0277 0.366349 17.6031 37.3259 47.0277 37.3258 -5.46761 GPRESSAVG: 3331800 -11.5326 -0.880788 46.1589 0.683289 16.7589 36.1327 49.1717 40.3746 -5.99039 TIMING: 3331800 CPU: 10524.4, 0.0031497/step Wall: 10524.4, 0.0031497/step, 1.45954 hours remaining, 236.156250 MB of memory in use. ENERGY: 3331800 3979.5948 20484.9601 14357.6391 251.4558 -203114.8219 2546.3814 0.0000 0.0000 51858.0552 -109636.7355 298.0290 -161494.7907 -109276.7319 298.3970 63.8911 90.7122 762992.9062 -0.0819 -0.2547 PRESSURE: 3332000 198.364 233.382 107.695 233.381 -197.499 74.2576 107.695 74.2586 -117.936 GPRESSURE: 3332000 178.042 210.531 166.49 230.281 -87.6501 119.748 30.0867 219.782 -136.191 PRESSAVG: 3332000 44.1505 -9.78679 33.9527 -9.78687 -33.6027 10.141 33.9528 10.1409 1.51659 GPRESSAVG: 3332000 43.6268 -9.20765 34.655 -10.5678 -32.6154 11.3763 33.3887 10.6621 1.17849 TIMING: 3332000 CPU: 10525, 0.00313924/step Wall: 10525, 0.00313924/step, 1.45451 hours remaining, 236.156250 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: 3332000 3939.5799 20639.5668 14388.7556 233.3844 -203554.4910 2644.6351 0.0000 0.0000 52022.1543 -109686.4149 298.9720 -161708.5692 -109323.3079 298.7951 -39.0236 -15.2664 762978.6514 4.0215 4.0633 PRESSURE: 3332200 132.983 82.3076 123.918 82.3065 51.4422 -161.379 123.919 -161.379 -447.096 GPRESSURE: 3332200 78.1877 31.5873 98.0518 206.595 85.4713 -167.602 136.926 -187.459 -330.277 PRESSAVG: 3332200 38.5661 -35.5001 45.2639 -35.5001 4.75363 30.792 45.2639 30.792 -0.5931 GPRESSAVG: 3332200 39.4814 -36.4196 44.7659 -34.401 3.38487 31.4545 46.609 27.2793 -0.0684344 TIMING: 3332200 CPU: 10525.7, 0.00313952/step Wall: 10525.7, 0.00313952/step, 1.45447 hours remaining, 236.156250 MB of memory in use. ENERGY: 3332200 3982.6230 20600.3999 14450.5271 258.5586 -203650.3660 2705.0639 0.0000 0.0000 51940.5042 -109712.6894 298.5028 -161653.1937 -109351.2070 298.7368 -87.5570 -55.5392 761367.6143 14.2422 14.2659 LDB: ============= START OF LOAD BALANCING ============== 10538.2 LDB: ============== END OF LOAD BALANCING =============== 10538.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10538.2 LDB: ============= START OF LOAD BALANCING ============== 10538.5 LDB: Largest compute 7075 load 0.032580 is 16.7% of average load 0.195548 LDB: Average compute 0.004376 is 2.2% of average load 0.195548 LDB: TIME 10538.5 LOAD: AVG 0.195548 MAX 0.215619 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.641 MB LDB: TIME 10538.5 LOAD: AVG 0.195548 MAX 0.215619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 10538.5 LOAD: AVG 0.195548 MAX 0.215619 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 10538.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10538.5 PRESSURE: 3332400 -143.879 69.1387 -86.4795 69.1389 124.66 52.3142 -86.4789 52.3146 -188.761 GPRESSURE: 3332400 -99.021 161.83 -136.916 85.5749 142.191 91.7449 -22.1324 -17.1819 -158.647 PRESSAVG: 3332400 19.1441 -28.0428 -28.8058 -28.0428 -24.377 22.9132 -28.8057 22.9132 -11.2026 GPRESSAVG: 3332400 18.8587 -27.8107 -27.2507 -29.5327 -24.9206 21.772 -30.2331 25.3468 -10.9071 TIMING: 3332400 CPU: 10526.3, 0.00320151/step Wall: 10526.3, 0.00320151/step, 1.48301 hours remaining, 236.210938 MB of memory in use. ENERGY: 3332400 4075.3056 20548.8920 14489.5648 247.4602 -203756.0543 3007.2526 0.0000 0.0000 51831.8774 -109555.7015 297.8785 -161387.5789 -109195.2216 299.1772 -69.3267 -38.4924 762070.6035 -5.4785 -5.6563 PRESSURE: 3332600 -496.883 -55.9357 14.8153 -55.9364 134.883 122.177 14.8161 122.178 -31.1709 GPRESSURE: 3332600 -424.056 -129.919 132.829 39.265 72.6232 136.43 35.0361 49.0087 49.7259 PRESSAVG: 3332600 -62.4269 -39.8464 8.31402 -39.8465 -12.7186 29.177 8.31404 29.1771 0.911473 GPRESSAVG: 3332600 -62.7572 -40.7821 6.87043 -38.7318 -12.2931 29.5215 9.06803 28.9234 1.11811 TIMING: 3332600 CPU: 10526.9, 0.00316107/step Wall: 10526.9, 0.00316107/step, 1.4641 hours remaining, 236.210938 MB of memory in use. ENERGY: 3332600 3973.3693 20547.2920 14458.4334 229.3145 -203116.2028 2668.1184 0.0000 0.0000 51862.8965 -109376.7788 298.0568 -161239.6754 -109020.0938 298.9024 -131.0571 -100.5688 763075.0726 -24.7447 -24.6441 PRESSURE: 3332800 81.7687 66.9628 -51.5412 66.9628 -225.781 33.6577 -51.541 33.6586 -33.227 GPRESSURE: 3332800 50.643 -16.4024 -81.1846 -13.0149 -87.4412 80.305 -102.566 17.7295 -75.387 PRESSAVG: 3332800 7.33471 -44.2858 4.77706 -44.2858 54.243 -1.03287 4.77702 -1.03285 6.77544 GPRESSAVG: 3332800 6.72762 -42.4641 5.21239 -45.1842 55.3593 -0.946035 1.00684 -0.960533 6.19194 TIMING: 3332800 CPU: 10527.6, 0.00316876/step Wall: 10527.6, 0.00316876/step, 1.46749 hours remaining, 236.210938 MB of memory in use. ENERGY: 3332800 3905.7409 20442.6958 14436.6032 235.1787 -203601.4581 2797.4696 0.0000 0.0000 52424.5494 -109359.2206 301.2846 -161783.7699 -108985.2841 299.5479 -59.0799 -37.3951 760175.9742 22.7844 22.7596 PRESSURE: 3333000 78.992 -27.768 -52.3961 -27.7677 254.947 -227.446 -52.3962 -227.446 -485.671 GPRESSURE: 3333000 75.4637 23.3625 -84.4127 72.3338 317.906 -277.466 21.9547 -83.3142 -457.041 PRESSAVG: 3333000 17.0603 5.98498 7.60273 5.98495 -21.8034 -18.4423 7.60269 -18.4423 5.10442 GPRESSAVG: 3333000 17.0822 5.96508 7.70552 5.43709 -22.2829 -19.661 9.71495 -16.1957 5.35395 TIMING: 3333000 CPU: 10528.2, 0.00316693/step Wall: 10528.2, 0.00316693/step, 1.46646 hours remaining, 236.210938 MB of memory in use. ENERGY: 3333000 4032.8678 20521.5955 14525.6346 229.3465 -203531.3960 2884.8092 0.0000 0.0000 51947.1872 -109389.9552 298.5412 -161337.1424 -109014.6153 299.4443 -50.5772 -21.2238 761613.4738 0.1204 0.0511 PRESSURE: 3333200 -110.725 -121.064 172.952 -121.065 -392.093 127.411 172.952 127.411 397.26 GPRESSURE: 3333200 -63.6646 -136.981 215.162 -156.588 -361.191 37.7123 85.3724 37.3633 398.67 PRESSAVG: 3333200 38.7626 -67.7329 11.8244 -67.7328 -20.3759 25.8968 11.8244 25.897 -5.43671 GPRESSAVG: 3333200 38.0019 -68.9818 11.2287 -67.6873 -21.1912 26.0402 10.1063 23.5419 -4.07501 TIMING: 3333200 CPU: 10528.8, 0.00316834/step Wall: 10528.8, 0.00316834/step, 1.46694 hours remaining, 236.210938 MB of memory in use. ENERGY: 3333200 3946.7012 20526.0454 14503.7898 246.0306 -202916.1206 2321.0665 0.0000 0.0000 51976.4707 -109396.0164 298.7095 -161372.4871 -109030.5494 299.4304 -35.1862 -8.7287 762293.3476 4.3167 4.2452 PRESSURE: 3333400 -511.556 -42.3777 -36.1975 -42.3781 -85.1812 179.75 -36.1974 179.75 -336.027 GPRESSURE: 3333400 -436.193 -108.325 53.009 -24.6956 -22.3705 125.686 8.48394 119.422 -384.012 PRESSAVG: 3333400 -10.9908 -40.7623 -13.5653 -40.7623 22.613 -11.5547 -13.5653 -11.5548 10.1611 GPRESSAVG: 3333400 -9.50199 -38.9902 -11.3016 -41.0085 21.8438 -10.2425 -12.6664 -14.1073 9.47968 TIMING: 3333400 CPU: 10529.5, 0.00315726/step Wall: 10529.5, 0.00315726/step, 1.46163 hours remaining, 236.210938 MB of memory in use. ENERGY: 3333400 4042.3259 20455.4326 14470.1819 246.3968 -203120.4639 2613.9319 0.0000 0.0000 52025.9959 -109266.1988 298.9941 -161292.1948 -108892.1956 299.4567 -310.9212 -280.8584 762905.0154 7.2611 7.2738 PRESSURE: 3333600 35.8208 -148.654 78.9696 -148.653 -556.138 -248.164 78.9693 -248.163 -498.747 GPRESSURE: 3333600 7.95088 -49.7929 -21.024 -38.7099 -388.511 -248.084 94.2627 -207.977 -570.401 PRESSAVG: 3333600 23.1869 -46.0869 22.4358 -46.0869 -10.1674 -7.24624 22.4357 -7.24624 17.199 GPRESSAVG: 3333600 21.5279 -46.5602 19.6629 -45.7404 -7.75285 -7.87544 24.5097 -4.39091 16.204 TIMING: 3333600 CPU: 10530.1, 0.00316745/step Wall: 10530.1, 0.00316745/step, 1.46618 hours remaining, 236.210938 MB of memory in use. ENERGY: 3333600 3995.2406 20566.0419 14507.7327 241.8923 -202908.0328 2274.3768 0.0000 0.0000 52101.8322 -109220.9162 299.4299 -161322.7484 -108853.7925 300.3362 -339.6881 -316.9869 762778.3067 10.0728 9.9930 PRESSURE: 3333800 131.263 72.7932 -48.3022 72.7927 171.666 -147.092 -48.3026 -147.09 -220.292 GPRESSURE: 3333800 253.355 -7.86934 -19.6705 51.5167 128.574 -158.408 -63.4301 -129.124 -227.473 PRESSAVG: 3333800 33.8213 4.06488 -10.3451 4.06486 -4.21009 -15.7211 -10.3452 -15.7211 -21.1493 GPRESSAVG: 3333800 34.0521 4.89487 -10.0008 4.67146 -7.00851 -14.4637 -10.2499 -17.9498 -18.5075 TIMING: 3333800 CPU: 10530.7, 0.00317048/step Wall: 10530.7, 0.00317048/step, 1.4674 hours remaining, 236.210938 MB of memory in use. ENERGY: 3333800 4030.8345 20620.5365 14557.4611 248.0246 -203483.5221 2760.1534 0.0000 0.0000 52348.7853 -108917.7267 300.8492 -161266.5120 -108558.8636 299.9176 27.5456 51.4853 760659.9805 2.8206 2.8453 PRESSURE: 3334000 -105.207 -171.198 -109.921 -171.198 -362.878 -145.655 -109.92 -145.655 285.369 GPRESSURE: 3334000 -86.4443 -157.483 -2.41125 -142.093 -208.616 -75.7779 -108.645 -165.796 217.275 PRESSAVG: 3334000 -16.4048 -3.02003 10.6718 -3.02005 46.5456 -39.0471 10.6719 -39.0471 -1.27877 GPRESSAVG: 3334000 -15.9283 -3.70204 11.1869 -4.51918 47.7859 -41.3868 9.34654 -38.4872 -3.13519 TIMING: 3334000 CPU: 10531.4, 0.00316786/step Wall: 10531.4, 0.00316786/step, 1.46602 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: 3334000 3988.1048 20583.9962 14490.0930 247.6634 -202985.6930 2430.0228 0.0000 0.0000 52025.8052 -109220.0076 298.9930 -161245.8128 -108852.8060 299.8753 -60.9054 -25.9287 763304.3613 9.6207 9.5741 PRESSURE: 3334200 -167.074 184.464 -154.66 184.464 203.628 -191.447 -154.659 -191.447 -142.735 GPRESSURE: 3334200 -115.473 238.015 -150.729 104.382 268.177 -212.09 -133.498 -269.464 -168.63 PRESSAVG: 3334200 11.7319 -6.71818 -28.3736 -6.71814 -13.8532 -53.5204 -28.3737 -53.5203 13.9502 GPRESSAVG: 3334200 12.9923 -6.88631 -28.7441 -4.18356 -15.0711 -52.426 -28.3744 -51.1703 14.1938 TIMING: 3334200 CPU: 10532, 0.00315648/step Wall: 10532, 0.00315648/step, 1.46057 hours remaining, 236.210938 MB of memory in use. ENERGY: 3334200 4018.9681 20643.1813 14478.4323 257.4720 -203464.2183 2542.0724 0.0000 0.0000 52469.2073 -109054.8848 301.5413 -161524.0922 -108680.2845 299.5022 -35.3935 -5.3086 762114.2415 3.9430 4.0384 PRESSURE: 3334400 37.6033 106.096 126.502 106.097 -16.2663 115.1 126.504 115.1 -266.797 GPRESSURE: 3334400 48.2925 0.142981 93.9069 5.208 120.261 76.7861 238.61 -39.5938 -321.22 PRESSAVG: 3334400 25.3899 -23.6093 20.5516 -23.6094 -17.613 -52.4789 20.5516 -52.479 -14.634 GPRESSAVG: 3334400 25.3083 -23.7683 20.6067 -24.8554 -17.5113 -53.2267 21.0103 -55.4882 -15.1366 TIMING: 3334400 CPU: 10532.6, 0.00316291/step Wall: 10532.6, 0.00316291/step, 1.46337 hours remaining, 236.210938 MB of memory in use. ENERGY: 3334400 3964.4688 20730.8733 14482.6344 255.4335 -203573.7835 2630.6383 0.0000 0.0000 52395.8069 -109113.9283 301.1194 -161509.7352 -108747.4513 299.8791 -81.8199 -50.8889 762925.8401 -2.2857 -2.4465 PRESSURE: 3334600 -132.301 -59.0479 125.188 -59.0486 -151.421 -90.1452 125.189 -90.1456 123.917 GPRESSURE: 3334600 -54.1409 -59.5591 122.639 -48.1053 -138.363 -18.8575 125.301 -161.731 105.99 PRESSAVG: 3334600 10.5362 -9.33524 8.42751 -9.33525 41.349 -37.8166 8.42753 -37.8166 -22.4165 GPRESSAVG: 3334600 9.40018 -9.72713 10.0925 -7.74911 42.5709 -38.5127 7.06569 -36.5094 -21.9798 TIMING: 3334600 CPU: 10533.3, 0.00317355/step Wall: 10533.3, 0.00317355/step, 1.46812 hours remaining, 236.210938 MB of memory in use. ENERGY: 3334600 4035.8922 20593.1217 14509.6880 226.4273 -203484.7621 2866.1080 0.0000 0.0000 52063.1802 -109190.3448 299.2078 -161253.5250 -108827.4870 299.3738 -53.2681 -28.8380 762773.3306 9.8229 9.9971 PRESSURE: 3334800 113.057 75.8181 -25.3688 75.8172 53.1912 -43.1158 -25.3693 -43.115 261.766 GPRESSURE: 3334800 86.4897 6.31228 -4.2955 124.919 148.293 -59.2747 -53.2289 -144.752 284.419 PRESSAVG: 3334800 -8.59038 1.81584 -26.2508 1.81579 -5.31415 -111.596 -26.2508 -111.596 3.59683 GPRESSAVG: 3334800 -8.24428 1.35438 -26.4991 0.298652 -6.52696 -108.382 -26.6536 -113.449 4.39344 TIMING: 3334800 CPU: 10533.9, 0.00318815/step Wall: 10533.9, 0.00318815/step, 1.4747 hours remaining, 236.210938 MB of memory in use. ENERGY: 3334800 3948.7731 20619.3235 14515.4392 242.3167 -203055.0488 2610.4963 0.0000 0.0000 52031.2930 -109087.4070 299.0246 -161118.7000 -108724.0498 299.2088 142.6713 173.0672 761971.8032 -3.4359 -3.4593 PRESSURE: 3335000 -88.8583 53.0113 -82.8381 53.0114 -7.33943 141.948 -82.8384 141.948 37.0763 GPRESSURE: 3335000 -70.9975 122.048 -68.915 143.877 10.2524 147.256 78.4597 11.9093 103.894 PRESSAVG: 3335000 -2.79641 -48.9846 39.1214 -48.9845 -13.8383 -8.20172 39.1213 -8.20171 -0.396222 GPRESSAVG: 3335000 -2.86767 -46.4224 38.2489 -50.2511 -13.423 -9.67407 41.4087 -7.51853 -0.649268 TIMING: 3335000 CPU: 10534.5, 0.00317419/step Wall: 10534.5, 0.00317419/step, 1.46806 hours remaining, 236.210938 MB of memory in use. ENERGY: 3335000 3939.7633 20666.5556 14516.7846 244.0874 -203675.4838 2909.5921 0.0000 0.0000 52087.6573 -109311.0435 299.3485 -161398.7008 -108945.8466 299.6257 -19.7071 14.3828 761707.9569 -5.6770 -5.6467 PRESSURE: 3335200 -7.15267 -35.1034 -78.5868 -35.1033 248.683 14.8221 -78.5863 14.821 -192.373 GPRESSURE: 3335200 115.327 -36.7596 -127.569 -71.5522 149.186 53.2959 -181.669 67.0007 -128.084 PRESSAVG: 3335200 47.5121 -28.478 -16.5279 -28.478 -24.4302 -3.88884 -16.5279 -3.88884 12.3539 GPRESSAVG: 3335200 46.8701 -28.8922 -16.229 -26.3787 -25.0254 -4.62769 -17.4226 -2.94838 13.4128 TIMING: 3335200 CPU: 10535.2, 0.00315904/step Wall: 10535.2, 0.00315904/step, 1.46088 hours remaining, 236.210938 MB of memory in use. ENERGY: 3335200 3975.2775 20567.4667 14558.7137 252.1813 -203598.2907 2937.4795 0.0000 0.0000 51960.5257 -109346.6463 298.6179 -161307.1720 -108984.0974 299.4878 16.3859 45.4762 761889.3935 11.8119 11.7525 PRESSURE: 3335400 480.086 -83.5657 89.432 -83.5653 -97.4392 261.951 89.4319 261.951 28.6187 GPRESSURE: 3335400 522.149 24.8032 116.91 -11.7713 -100.069 244.644 38.5061 145.739 73.9706 PRESSAVG: 3335400 20.0037 -65.8023 62.5045 -65.8023 -58.7018 0.104229 62.5045 0.104215 -14.8269 GPRESSAVG: 3335400 21.9492 -67.3414 61.6814 -65.0407 -59.0631 0.565006 63.6374 -0.550809 -16.1117 TIMING: 3335400 CPU: 10535.8, 0.00317946/step Wall: 10535.8, 0.00317946/step, 1.47015 hours remaining, 236.210938 MB of memory in use. ENERGY: 3335400 3935.9302 20602.3237 14453.0084 271.4086 -203494.8805 2662.4247 0.0000 0.0000 52102.6998 -109467.0851 299.4349 -161569.7850 -109101.6333 299.3513 137.0884 165.3501 761231.5855 -17.8417 -17.7419 PRESSURE: 3335600 335.248 -206.342 -160.224 -206.342 -244.497 -42.6554 -160.224 -42.6559 -70.7063 GPRESSURE: 3335600 338.754 -258.29 -198.914 -64.899 -155.41 -83.0545 -114.168 -15.4394 -82.6006 PRESSAVG: 3335600 79.0043 -63.9712 22.1905 -63.9712 -73.1859 -12.9494 22.1905 -12.9495 14.864 GPRESSAVG: 3335600 78.4608 -63.692 23.6142 -62.6919 -72.4879 -14.0451 20.2605 -11.3537 14.9089 TIMING: 3335600 CPU: 10536.4, 0.00315062/step Wall: 10536.4, 0.00315062/step, 1.45663 hours remaining, 236.210938 MB of memory in use. ENERGY: 3335600 3934.9021 20543.9371 14528.0390 249.6645 -203568.6567 2565.1454 0.0000 0.0000 52198.3512 -109548.6173 299.9846 -161746.9685 -109186.8558 299.4186 6.6815 33.5812 760960.9181 6.8941 6.9606 PRESSURE: 3335800 141.724 131.596 -366.17 131.596 265.22 -25.4072 -366.171 -25.4068 -72.6065 GPRESSURE: 3335800 256.528 1.01003 -282.08 52.4849 197.859 15.6636 -423.235 -70.0434 -54.2098 PRESSAVG: 3335800 -10.6555 -46.2278 -10.9294 -46.2279 56.9046 -19.2518 -10.9295 -19.2519 6.25597 GPRESSAVG: 3335800 -11.1033 -46.5829 -12.5268 -47.5774 56.2694 -17.3801 -10.4635 -20.6469 7.47173 TIMING: 3335800 CPU: 10537.1, 0.00316432/step Wall: 10537.1, 0.00316432/step, 1.4628 hours remaining, 236.210938 MB of memory in use. ENERGY: 3335800 4038.2325 20548.5788 14458.8481 247.6588 -203863.9893 2977.0360 0.0000 0.0000 51999.6438 -109593.9914 298.8427 -161593.6352 -109231.0280 299.1841 111.4458 133.3924 761153.8125 17.5017 17.5460 PRESSURE: 3336000 -148.327 201.646 85.3555 201.645 -92.1129 132.488 85.3545 132.488 -152.721 GPRESSURE: 3336000 -132.699 11.7871 78.8769 79.7368 -28.3641 113.432 88.3714 49.4599 -146.729 PRESSAVG: 3336000 31.0541 -42.3857 10.4525 -42.3857 18.8664 34.0264 10.4525 34.0264 -6.99143 GPRESSAVG: 3336000 30.944 -41.3542 10.6982 -43.8639 20.4248 30.468 10.8508 34.8889 -8.67726 TIMING: 3336000 CPU: 10537.7, 0.00316423/step Wall: 10537.7, 0.00316423/step, 1.46258 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: 3336000 4008.3560 20471.7747 14493.2892 247.5528 -203792.7632 2894.7579 0.0000 0.0000 51923.4351 -109753.5974 298.4047 -161677.0325 -109386.1748 298.9015 -131.0536 -102.5973 761619.5333 14.3097 14.2305 PRESSURE: 3336200 -41.9085 -24.3531 108.065 -24.3538 262.458 130.969 108.065 130.969 314.695 GPRESSURE: 3336200 -77.3107 -63.2706 -29.3123 -39.7728 392.101 205.946 120.302 147.021 320.412 PRESSAVG: 3336200 -29.9716 14.5236 5.81993 14.5236 65.5654 19.383 5.81982 19.383 21.8384 GPRESSAVG: 3336200 -29.9603 13.5542 5.96099 15.5778 65.3259 22.2039 6.9618 19.8844 22.7628 TIMING: 3336200 CPU: 10538.3, 0.0031686/step Wall: 10538.3, 0.0031686/step, 1.46442 hours remaining, 236.210938 MB of memory in use. ENERGY: 3336200 4028.4552 20543.7094 14444.1609 234.5350 -203925.8006 2916.0274 0.0000 0.0000 52117.2922 -109641.6205 299.5188 -161758.9127 -109284.0791 298.6323 178.4146 211.7341 760129.5686 19.1441 19.3761 LDB: ============= START OF LOAD BALANCING ============== 10550.9 LDB: ============== END OF LOAD BALANCING =============== 10550.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10550.9 LDB: ============= START OF LOAD BALANCING ============== 10551.2 LDB: Largest compute 7030 load 0.032440 is 16.6% of average load 0.195608 LDB: Average compute 0.004372 is 2.2% of average load 0.195608 LDB: TIME 10551.2 LOAD: AVG 0.195608 MAX 0.216115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 10551.2 LOAD: AVG 0.195608 MAX 0.216115 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: TIME 10551.2 LOAD: AVG 0.195608 MAX 0.216115 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: ============== END OF LOAD BALANCING =============== 10551.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10551.2 PRESSURE: 3336400 -85.2804 79.7653 38.1734 79.765 -244.258 131.536 38.1742 131.535 -143.596 GPRESSURE: 3336400 -39.2093 51.9755 46.949 95.4436 -158.084 100.109 -110.568 62.5845 -174.971 PRESSAVG: 3336400 -16.9148 2.17198 51.1632 2.17198 -26.4185 -25.7129 51.1632 -25.7128 -4.62248 GPRESSAVG: 3336400 -16.2432 4.07235 49.5593 1.7228 -25.5612 -26.695 51.3377 -25.3968 -6.05543 TIMING: 3336400 CPU: 10539, 0.00323603/step Wall: 10539, 0.00323603/step, 1.49541 hours remaining, 236.144531 MB of memory in use. ENERGY: 3336400 3949.3305 20563.9348 14464.9463 214.1743 -203733.7598 2681.0584 0.0000 0.0000 52151.1394 -109709.1760 299.7133 -161860.3154 -109334.2330 298.8272 -157.7117 -124.0883 761142.9199 -15.9853 -15.9533 PRESSURE: 3336600 196.442 84.687 21.1404 84.6875 148.817 -47.8639 21.14 -47.8627 541.62 GPRESSURE: 3336600 179.58 56.1225 50.7573 96.6169 165.394 -146.874 42.0594 -10.2094 634.257 PRESSAVG: 3336600 -58.0144 43.3581 5.3524 43.3581 45.3637 47.2284 5.35239 47.2284 -2.89384 GPRESSAVG: 3336600 -58.2451 41.9066 7.33951 44.8109 44.0664 46.9246 4.84163 48.7281 -1.0483 TIMING: 3336600 CPU: 10539.6, 0.00315891/step Wall: 10539.6, 0.00315891/step, 1.45959 hours remaining, 236.675781 MB of memory in use. ENERGY: 3336600 3863.2409 20524.9144 14496.7659 243.1080 -203452.5354 2546.3258 0.0000 0.0000 52107.4603 -109670.7200 299.4623 -161778.1803 -109299.2150 298.8138 295.6263 326.4105 760621.6889 -5.1815 -5.0757 PRESSURE: 3336800 -118.29 107.434 131.761 107.434 221.155 14.8923 131.761 14.893 -230.051 GPRESSURE: 3336800 -133.361 88.9898 87.1137 160.906 318.592 3.79722 121.043 70.4657 -225.548 PRESSAVG: 3336800 -63.3257 68.5455 55.919 68.5455 56.9241 29.8125 55.919 29.8126 -0.0472786 GPRESSAVG: 3336800 -63.7408 69.9334 54.5759 68.0244 58.7508 29.2985 57.4654 28.1255 -1.14613 TIMING: 3336800 CPU: 10540.3, 0.00317182/step Wall: 10540.3, 0.00317182/step, 1.46538 hours remaining, 236.683594 MB of memory in use. ENERGY: 3336800 4018.7712 20650.2097 14460.4927 228.1751 -203486.4781 2526.3824 0.0000 0.0000 51997.9316 -109604.5155 298.8328 -161602.4471 -109247.2973 298.9722 -42.3953 -13.4391 762314.6370 -2.1497 -2.0454 PRESSURE: 3337000 -257.744 -19.6902 89.6082 -19.6904 -198.235 43.4442 89.6082 43.4443 -434.898 GPRESSURE: 3337000 -214.855 -25.139 136.863 36.5938 -147.768 -64.2517 241.79 -15.0279 -448.709 PRESSAVG: 3337000 -13.7704 -59.0655 21.3486 -59.0655 22.5985 1.74113 21.3487 1.74115 6.75283 GPRESSAVG: 3337000 -13.3305 -58.6132 23.8857 -57.3396 21.3788 1.06466 19.3633 0.651022 7.32364 TIMING: 3337000 CPU: 10540.9, 0.00318239/step Wall: 10540.9, 0.00318239/step, 1.47009 hours remaining, 236.683594 MB of memory in use. ENERGY: 3337000 4065.9883 20730.1242 14479.4020 240.7708 -203421.7739 2548.8590 0.0000 0.0000 51954.1964 -109402.4332 298.5815 -161356.6296 -109043.5735 298.7163 -296.9591 -270.4438 762487.0554 5.1937 5.1240 PRESSURE: 3337200 -144.307 -45.5559 104.09 -45.5549 -89.4166 -7.49178 104.092 -7.49345 -336.613 GPRESSURE: 3337200 -119.967 -30.3845 59.0513 13.8541 -127.93 -20.047 83.6929 114.045 -249.886 PRESSAVG: 3337200 15.7948 -2.87546 2.34272 -2.87545 -5.06364 19.7133 2.34271 19.7132 15.5862 GPRESSAVG: 3337200 16.3116 -4.01689 0.613338 -4.32547 -5.73615 21.0685 3.87622 21.2649 15.2458 TIMING: 3337200 CPU: 10541.5, 0.00316309/step Wall: 10541.5, 0.00316309/step, 1.461 hours remaining, 236.683594 MB of memory in use. ENERGY: 3337200 4041.3272 20644.2940 14446.6474 247.4011 -203414.9641 2592.7966 0.0000 0.0000 51919.7229 -109522.7749 298.3834 -161442.4978 -109154.7198 298.9058 -190.1121 -165.9277 760771.8117 8.7724 8.6071 PRESSURE: 3337400 -181.948 55.6979 35.5619 55.6971 -153.366 -111.956 35.5617 -111.956 -127.244 GPRESSURE: 3337400 -202.169 37.3315 26.1497 27.7941 -57.609 -58.7565 96.4232 -58.132 -100.573 PRESSAVG: 3337400 -28.8177 54.8077 15.5506 54.8077 26.0329 -18.1373 15.5505 -18.1372 2.99183 GPRESSAVG: 3337400 -29.0727 55.4002 15.2109 53.2948 25.6103 -16.5778 12.8101 -19.5443 3.55267 TIMING: 3337400 CPU: 10542.2, 0.00314323/step Wall: 10542.2, 0.00314323/step, 1.45165 hours remaining, 236.683594 MB of memory in use. ENERGY: 3337400 4041.5495 20533.5999 14485.4311 257.2583 -203159.6349 2431.9964 0.0000 0.0000 51902.1577 -109507.6420 298.2824 -161409.7997 -109146.2561 298.9492 -154.1859 -120.1170 762324.4525 0.0690 0.0301 PRESSURE: 3337600 -555.699 -40.0962 27.2831 -40.0967 -124.059 -81.8346 27.2828 -81.8348 72.8819 GPRESSURE: 3337600 -439.621 -0.0798505 63.4492 -60.2623 -152.651 -27.153 43.5846 -35.0442 84.6382 PRESSAVG: 3337600 -6.9164 82.3791 -15.2438 82.3791 9.02089 -11.2803 -15.2438 -11.2803 -37.1094 GPRESSAVG: 3337600 -5.16557 81.9976 -13.8064 84.3023 7.60729 -13.1516 -13.8798 -9.462 -37.6811 TIMING: 3337600 CPU: 10542.8, 0.00316928/step Wall: 10542.8, 0.00316928/step, 1.46351 hours remaining, 236.683594 MB of memory in use. ENERGY: 3337600 3943.4028 20520.2173 14496.3830 263.4941 -203364.3034 2408.9535 0.0000 0.0000 52263.3614 -109468.4913 300.3583 -161731.8527 -109098.2755 299.0195 -202.2920 -169.2112 761130.7581 -11.6683 -11.7465 PRESSURE: 3337800 -535.186 17.6161 75.3774 17.6162 -274.098 116.241 75.377 116.242 -335.96 GPRESSURE: 3337800 -476 -5.73131 1.9223 23.1926 -297.197 69.9263 116.432 54.7706 -282.082 PRESSAVG: 3337800 -20.9046 23.5629 51.262 23.5629 -15.676 -46.6111 51.2621 -46.6111 5.49595 GPRESSAVG: 3337800 -23.5263 23.195 48.5929 24.3475 -13.1013 -45.0766 53.5882 -47.2521 4.95231 TIMING: 3337800 CPU: 10543.4, 0.00315462/step Wall: 10543.4, 0.00315462/step, 1.45656 hours remaining, 236.683594 MB of memory in use. ENERGY: 3337800 3979.9019 20664.7158 14443.3740 261.9228 -203380.1557 2458.0573 0.0000 0.0000 52198.6829 -109373.5009 299.9865 -161572.1838 -109009.9111 299.4947 -381.7481 -351.7598 761903.6615 -10.3615 -10.5584 PRESSURE: 3338000 202.165 -17.5148 -119.165 -17.5152 -45.02 82.3177 -119.165 82.3175 193.633 GPRESSURE: 3338000 212.839 76.3347 -161.967 -103.185 4.52602 75.36 -136.456 -46.791 250.17 PRESSAVG: 3338000 -35.3892 45.0046 31.0521 45.0046 69.0641 27.3039 31.052 27.3039 21.7035 GPRESSAVG: 3338000 -34.9052 46.659 34.419 43.1272 68.0114 27.509 26.3155 25.5805 22.4013 TIMING: 3338000 CPU: 10544.1, 0.00315439/step Wall: 10544.1, 0.00315439/step, 1.45628 hours remaining, 236.683594 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: 3338000 3963.9412 20575.4350 14466.3471 249.8947 -203262.6202 2498.3416 0.0000 0.0000 51743.5285 -109765.1320 297.3708 -161508.6605 -109409.2437 299.5564 116.9261 155.8450 760436.9387 18.4595 18.5025 PRESSURE: 3338200 98.5287 55.8976 4.14088 55.8971 49.9427 140.62 4.14179 140.619 -45.1425 GPRESSURE: 3338200 63.337 82.6411 -21.9092 46.6095 97.377 164.511 13.4964 61.6698 21.9694 PRESSAVG: 3338200 -7.61911 1.11051 46.6955 1.11051 3.33094 66.2507 46.6955 66.2508 19.2967 GPRESSAVG: 3338200 -7.24621 -0.251298 44.2329 1.37324 3.16994 65.5442 50.5535 65.6017 19.1827 TIMING: 3338200 CPU: 10544.7, 0.00317162/step Wall: 10544.7, 0.00317162/step, 1.46406 hours remaining, 236.683594 MB of memory in use. ENERGY: 3338200 3958.5683 20548.8495 14483.8433 263.6959 -203762.3085 2837.2057 0.0000 0.0000 51971.8796 -109698.2663 298.6831 -161670.1458 -109336.7233 298.5831 34.4430 60.8945 759418.5319 5.0028 5.0355 PRESSURE: 3338400 -162.209 -53.346 81.0838 -53.3458 84.1506 117.17 81.0834 117.169 235.634 GPRESSURE: 3338400 -22.0248 -10.315 55.8892 -152.578 -30.2787 119.027 161.042 38.9956 278.107 PRESSAVG: 3338400 18.4366 -10.9306 1.33758 -10.9306 10.434 81.3381 1.33764 81.3381 17.5214 GPRESSAVG: 3338400 17.8575 -11.4155 3.89785 -10.5186 10.8229 81.2225 0.235462 83.2818 17.4192 TIMING: 3338400 CPU: 10545.3, 0.00314665/step Wall: 10545.3, 0.00314665/step, 1.45235 hours remaining, 236.683594 MB of memory in use. ENERGY: 3338400 3948.2663 20257.5912 14514.9841 244.1993 -203311.2805 2702.8431 0.0000 0.0000 51903.1881 -109740.2086 298.2883 -161643.3967 -109375.2215 298.2609 52.5252 75.2679 760258.6282 15.4640 15.3665 PRESSURE: 3338600 57.9795 185.811 109.173 185.811 23.5272 89.9696 109.172 89.9702 -81.872 GPRESSURE: 3338600 90.1591 92.0883 97.4803 193.865 65.9158 2.33083 108.336 54.852 -63.227 PRESSAVG: 3338600 -68.9622 41.867 -10.4913 41.867 54.4696 13.2738 -10.4914 13.2738 24.6359 GPRESSAVG: 3338600 -68.9405 39.1501 -10.4637 43.6845 54.2617 11.6643 -12.7493 13.0733 24.7374 TIMING: 3338600 CPU: 10545.9, 0.00314834/step Wall: 10545.9, 0.00314834/step, 1.45296 hours remaining, 236.683594 MB of memory in use. ENERGY: 3338600 4025.8660 20379.2421 14510.2776 242.0761 -203563.5160 2662.4122 0.0000 0.0000 51998.1358 -109745.5062 298.8340 -161743.6420 -109380.9716 298.4891 -0.1218 30.9493 761189.3711 3.3811 3.3528 PRESSURE: 3338800 -70.649 8.5517 -10.4959 8.55181 0.782738 22.1479 -10.4962 22.1487 -53.4704 GPRESSURE: 3338800 -2.18342 -69.2048 -12.8385 115.763 -24.7669 39.8164 122.025 -40.9619 -4.56896 PRESSAVG: 3338800 -23.7988 28.4163 0.912624 28.4164 38.3437 60.7218 0.912637 60.7218 -40.9548 GPRESSAVG: 3338800 -22.6398 30.6395 -0.673889 26.6349 37.9699 61.9783 1.37681 60.296 -41.4589 TIMING: 3338800 CPU: 10546.6, 0.00314403/step Wall: 10546.6, 0.00314403/step, 1.45079 hours remaining, 236.683594 MB of memory in use. ENERGY: 3338800 3983.5604 20429.8402 14489.9908 245.5015 -203433.4982 2587.6176 0.0000 0.0000 52078.2415 -109618.7462 299.2944 -161696.9877 -109258.8986 298.2755 -41.1122 -10.5064 760922.1523 -8.8033 -8.7096 PRESSURE: 3339000 190.369 175.392 78.5441 175.391 195.14 171.662 78.5432 171.663 -11.0204 GPRESSURE: 3339000 70.3166 161.643 -15.2883 149.557 244.721 228.39 96.8876 132.454 129.769 PRESSAVG: 3339000 -36.0599 27.6881 19.9845 27.6881 -3.66504 -7.4391 19.9844 -7.43907 14.2305 GPRESSAVG: 3339000 -36.851 27.388 19.1588 26.9501 -3.57632 -7.11606 20.7156 -6.69942 15.1067 TIMING: 3339000 CPU: 10547.2, 0.00314581/step Wall: 10547.2, 0.0031458/step, 1.45144 hours remaining, 236.683594 MB of memory in use. ENERGY: 3339000 4004.1349 20316.7243 14473.6625 238.2215 -203474.0583 2701.6761 0.0000 0.0000 52005.8884 -109733.7506 298.8786 -161739.6390 -109366.3706 298.4656 124.8294 148.2689 761706.1386 -8.4981 -8.4402 PRESSURE: 3339200 34.1496 -216.962 175.623 -216.962 -221.758 -103.093 175.623 -103.092 -343.495 GPRESSURE: 3339200 13.8466 -137.186 182.413 -119.367 -121.778 -7.73603 185.262 -155.237 -351.841 PRESSAVG: 3339200 -22.2232 21.3541 -17.0673 21.3541 23.9745 0.566998 -17.0673 0.567049 -16.422 GPRESSAVG: 3339200 -21.9432 22.2429 -17.0381 22.5409 23.5562 1.44991 -14.3499 0.303174 -16.5569 TIMING: 3339200 CPU: 10547.8, 0.00314806/step Wall: 10547.8, 0.00314806/step, 1.4523 hours remaining, 236.683594 MB of memory in use. ENERGY: 3339200 4021.0857 20559.8848 14424.6248 245.5019 -203406.2250 2650.3473 0.0000 0.0000 51851.8743 -109652.9061 297.9934 -161504.7804 -109289.3165 298.3932 -177.0342 -153.2573 762189.0019 -4.8902 -4.9813 PRESSURE: 3339400 -132.79 -371.276 125.993 -371.275 315.598 -52.586 125.993 -52.5854 -440.157 GPRESSURE: 3339400 -99.3737 -310.724 130.602 -310.889 227.9 44.5159 108.709 0.592849 -280.856 PRESSAVG: 3339400 -32.5482 -22.8832 -50.1103 -22.8832 39.4425 8.46599 -50.1103 8.46606 -10.1794 GPRESSAVG: 3339400 -31.4878 -22.0342 -49.8128 -24.2736 38.4808 7.40207 -51.6303 8.5012 -9.8762 TIMING: 3339400 CPU: 10548.5, 0.0031494/step Wall: 10548.5, 0.0031494/step, 1.45275 hours remaining, 236.683594 MB of memory in use. ENERGY: 3339400 4031.4420 20630.5174 14511.4902 269.7651 -203562.8975 2598.4536 0.0000 0.0000 52009.8157 -109511.4134 298.9011 -161521.2292 -109154.4848 298.6754 -85.7833 -50.7763 760514.3145 -1.0950 -0.9611 PRESSURE: 3339600 -242.855 -95.2147 85.4478 -95.2151 -148.509 -97.9924 85.4476 -97.9924 -5.76478 GPRESSURE: 3339600 -210.163 -99.5629 136.678 -169.037 -129.389 -176.188 -49.0112 -123.191 6.60465 PRESSAVG: 3339600 -36.8714 -31.003 -21.3715 -31.003 44.9143 16.2302 -21.3715 16.2302 -9.75204 GPRESSAVG: 3339600 -37.3878 -33.6119 -21.4652 -32.3765 45.7859 15.1328 -22.1689 17.4381 -10.448 TIMING: 3339600 CPU: 10549.1, 0.00317142/step Wall: 10549.1, 0.00317142/step, 1.46273 hours remaining, 236.683594 MB of memory in use. ENERGY: 3339600 3967.3189 20411.6256 14514.1267 262.9029 -203213.0184 2342.4925 0.0000 0.0000 52088.7850 -109625.7668 299.3550 -161714.5518 -109257.1480 299.0511 -132.3764 -110.9822 762159.1201 -0.5697 -0.6833 PRESSURE: 3339800 107.698 -84.4538 -19.0689 -84.4537 -309.381 204.822 -19.0689 204.822 27.6192 GPRESSURE: 3339800 116.89 -122.591 -5.29132 -51.9473 -217.772 155.801 43.3198 288.209 25.5142 PRESSAVG: 3339800 -2.40778 -43.3956 8.11903 -43.3955 47.7032 1.32341 8.11901 1.32347 -18.8667 GPRESSAVG: 3339800 -3.44363 -42.4086 8.81753 -43.5277 48.9026 1.82444 8.33601 0.634766 -19.3875 TIMING: 3339800 CPU: 10549.7, 0.00314873/step Wall: 10549.7, 0.00314874/step, 1.45209 hours remaining, 236.683594 MB of memory in use. ENERGY: 3339800 3965.3888 20497.5255 14516.8606 247.7266 -203800.3751 2741.4564 0.0000 0.0000 52217.2923 -109614.1251 300.0935 -161831.4174 -109255.8900 299.1075 -58.0212 -25.1225 761826.0010 8.8096 8.6905 PRESSURE: 3340000 -265.858 126.633 181.646 126.634 -68.4755 -11.45 181.646 -11.4499 272.212 GPRESSURE: 3340000 -219.058 136.591 177.078 127.29 -22.8393 -91.4748 243.017 -2.16955 243.585 PRESSAVG: 3340000 20.8378 -42.8427 18.2557 -42.8427 -27.2017 67.1164 18.2557 67.1164 1.12978 GPRESSAVG: 3340000 20.2363 -44.1903 17.4199 -39.3408 -27.3503 68.5116 19.1209 66.6679 1.73238 TIMING: 3340000 CPU: 10550.4, 0.00317574/step Wall: 10550.4, 0.00317574/step, 1.46437 hours remaining, 236.683594 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: 3340000 4003.0965 20517.1550 14489.4779 254.9728 -203826.8790 2774.0521 0.0000 0.0000 52086.3783 -109701.7465 299.3411 -161788.1247 -109329.7973 299.0264 -20.7073 0.5627 762685.7754 -1.7447 -1.7939 PRESSURE: 3340200 -181.315 -53.4628 -154.231 -53.462 382.363 92.6756 -154.23 92.675 -112.795 GPRESSURE: 3340200 -86.6421 -147.94 -184.394 34.5262 358.977 47.3745 -186.287 107.974 -96.6911 PRESSAVG: 3340200 -4.35693 -32.0103 -0.243634 -32.0103 33.7379 12.9789 -0.243605 12.979 -0.746627 GPRESSAVG: 3340200 -3.40543 -30.1748 -0.0536443 -33.1918 32.6242 13.1784 -1.17083 13.2016 -0.291741 TIMING: 3340200 CPU: 10551, 0.00316467/step Wall: 10551, 0.00316467/step, 1.45909 hours remaining, 236.683594 MB of memory in use. ENERGY: 3340200 3973.0051 20657.0326 14400.0868 260.2806 -203737.4630 2772.6611 0.0000 0.0000 52196.1229 -109478.2739 299.9718 -161674.3967 -109115.4009 299.1452 29.4180 58.5479 762032.0611 9.5448 9.6423 LDB: ============= START OF LOAD BALANCING ============== 10563.5 LDB: ============== END OF LOAD BALANCING =============== 10563.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10563.5 LDB: ============= START OF LOAD BALANCING ============== 10563.8 LDB: Largest compute 7075 load 0.033180 is 17.0% of average load 0.195705 LDB: Average compute 0.004375 is 2.2% of average load 0.195705 LDB: TIME 10563.8 LOAD: AVG 0.195705 MAX 0.213875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.707 MB LDB: TIME 10563.9 LOAD: AVG 0.195705 MAX 0.213875 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 10563.9 LOAD: AVG 0.195705 MAX 0.213875 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 10563.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10563.9 PRESSURE: 3340400 13.9192 -109.293 -184.722 -109.291 -250.054 296.566 -184.723 296.565 -413.654 GPRESSURE: 3340400 -38.1881 -240.175 -235.454 -58.0316 -173.912 259.084 -138.891 357.856 -377.72 PRESSAVG: 3340400 -22.1698 -21.7283 -12.5662 -21.7283 31.2343 -3.09489 -12.5662 -3.09486 10.6969 GPRESSAVG: 3340400 -22.1742 -25.6877 -11.9328 -20.264 31.4564 -2.96845 -12.2466 -2.97509 10.4678 TIMING: 3340400 CPU: 10551.6, 0.00322049/step Wall: 10551.6, 0.00322049/step, 1.48465 hours remaining, 235.449219 MB of memory in use. ENERGY: 3340400 3986.0638 20527.5588 14564.2306 261.0929 -203374.1505 2547.0073 0.0000 0.0000 52018.7297 -109469.4674 298.9524 -161488.1971 -109118.7195 299.0725 -216.5960 -196.6067 764270.8841 6.5871 6.5834 PRESSURE: 3340600 87.7286 -10.2987 -100.626 -10.2978 -4.21876 14.0267 -100.625 14.0267 -147.339 GPRESSURE: 3340600 189.151 -96.1484 -101.997 -20.3672 7.87293 -44.6158 -133.242 38.6317 -152.945 PRESSAVG: 3340600 52.3151 -55.3848 -3.26598 -55.3848 -50.5936 -23.5223 -3.26598 -23.5222 -7.82264 GPRESSAVG: 3340600 53.5848 -54.5476 -2.26547 -58.1767 -51.3908 -23.5729 -4.26583 -25.6591 -8.04099 TIMING: 3340600 CPU: 10552.3, 0.00315154/step Wall: 10552.3, 0.00315154/step, 1.45269 hours remaining, 235.519531 MB of memory in use. ENERGY: 3340600 4068.2163 20345.1697 14510.4227 247.1999 -203347.8440 2813.1133 0.0000 0.0000 51858.6992 -109505.0229 298.0327 -161363.7221 -109136.4704 298.9344 -21.2765 14.6930 762860.8400 -2.0337 -1.9490 PRESSURE: 3340800 171.886 18.3519 -226.449 18.3523 -156.358 32.2193 -226.448 32.2194 146.136 GPRESSURE: 3340800 119.883 17.1903 -213.173 16.7979 37.7494 204.431 -149.877 63.0217 92.2986 PRESSAVG: 3340800 51.6738 -38.4108 1.70525 -38.4109 -64.1939 10.4333 1.70522 10.4333 10.8422 GPRESSAVG: 3340800 51.2486 -36.4027 2.57953 -35.9068 -63.3021 10.0429 1.36516 11.6721 9.89348 TIMING: 3340800 CPU: 10552.9, 0.00316636/step Wall: 10552.9, 0.00316636/step, 1.45934 hours remaining, 235.519531 MB of memory in use. ENERGY: 3340800 3953.8788 20461.2628 14484.3779 241.3199 -202966.6071 2448.5284 0.0000 0.0000 52045.3462 -109331.8933 299.1053 -161377.2394 -108976.1842 299.1497 53.8881 83.3104 762820.5060 -0.5593 -0.7200 PRESSURE: 3341000 -70.2484 -201.373 -57.4351 -201.374 -75.1485 243.504 -57.435 243.504 -230.926 GPRESSURE: 3341000 3.44482 -168.588 -98.19 -183.786 92.5212 247.903 36.7653 239.955 -369.612 PRESSAVG: 3341000 9.61073 -80.8361 -12.3019 -80.8362 10.8637 -2.36747 -12.3019 -2.36741 -16.0189 GPRESSAVG: 3341000 9.59267 -82.3571 -14.5289 -80.9492 10.6149 -3.23701 -12.979 -0.36041 -15.8601 TIMING: 3341000 CPU: 10553.5, 0.00315529/step Wall: 10553.5, 0.00315529/step, 1.45406 hours remaining, 235.722656 MB of memory in use. ENERGY: 3341000 3987.2044 20547.7049 14416.1172 248.7718 -203257.1284 2633.8909 0.0000 0.0000 52197.2337 -109226.2054 299.9782 -161423.4391 -108868.3551 299.6514 -125.4409 -91.2155 761991.6288 1.4852 1.4492 PRESSURE: 3341200 91.0273 -17.2306 4.76904 -17.2307 305.379 3.48098 4.76922 3.48187 -42.5318 GPRESSURE: 3341200 148.503 -115.082 75.2531 80.6475 234.155 44.3434 51.2669 41.1724 41.2406 PRESSAVG: 3341200 -39.1931 -20.257 4.71727 -20.257 19.8677 31.6243 4.71733 31.6243 8.14861 GPRESSAVG: 3341200 -39.4644 -19.1509 5.82406 -19.329 20.4912 31.67 7.25443 31.1073 7.30185 TIMING: 3341200 CPU: 10554.2, 0.00315189/step Wall: 10554.2, 0.00315189/step, 1.45232 hours remaining, 235.722656 MB of memory in use. ENERGY: 3341200 3953.5339 20562.8245 14453.2903 251.1822 -203246.1093 2556.9527 0.0000 0.0000 52167.6828 -109300.6429 299.8084 -161468.3257 -108937.9523 299.7953 117.9581 141.2995 762227.6470 -3.7256 -3.8905 PRESSURE: 3341400 -4.88633 -1.23934 128.02 -1.23963 101.607 23.3867 128.02 23.3859 174.237 GPRESSURE: 3341400 44.5815 -28.514 224.485 -39.4381 77.2503 -17.0364 15.9027 -10.1176 225.338 PRESSAVG: 3341400 -60.3345 28.0891 -26.7822 28.0891 -13.8936 37.8739 -26.7822 37.874 19.6128 GPRESSAVG: 3341400 -59.9577 28.8102 -27.0758 25.1244 -15.1325 38.8557 -30.3241 36.7143 20.1891 TIMING: 3341400 CPU: 10554.8, 0.00317036/step Wall: 10554.8, 0.00317036/step, 1.46066 hours remaining, 235.722656 MB of memory in use. ENERGY: 3341400 3989.9312 20609.2706 14389.1736 257.1500 -203020.6735 2316.8800 0.0000 0.0000 52048.9932 -109409.2749 299.1263 -161458.2681 -109053.5849 299.4279 90.3191 115.7231 760906.9404 -18.2051 -18.3003 PRESSURE: 3341600 179.347 71.4866 -101.069 71.4871 -62.6781 318.155 -101.07 318.155 -318.153 GPRESSURE: 3341600 198.574 64.0292 -167.065 41.7164 4.65045 302.484 -16.9225 210.426 -318.081 PRESSAVG: 3341600 -25.7838 18.7223 -1.19069 18.7223 30.4483 -13.3492 -1.19074 -13.3492 19.6619 GPRESSAVG: 3341600 -25.7645 17.1315 0.00775846 20.2509 30.848 -13.3366 1.35016 -15.1018 19.4751 TIMING: 3341600 CPU: 10555.4, 0.00318272/step Wall: 10555.4, 0.00318272/step, 1.46617 hours remaining, 235.722656 MB of memory in use. ENERGY: 3341600 4019.7247 20477.1348 14444.2786 252.4641 -203408.5207 2686.6484 0.0000 0.0000 52293.8680 -109234.4021 300.5336 -161528.2701 -108860.9324 299.2530 -67.1611 -38.2855 761725.3193 8.1088 8.1862 PRESSURE: 3341800 108.125 25.2099 186.171 25.2099 -73.4667 -62.812 186.171 -62.8113 -319.698 GPRESSURE: 3341800 65.6969 24.7122 109.307 12.6147 58.6781 26.3852 170.988 -70.7871 -328.266 PRESSAVG: 3341800 -16.6048 9.14457 -29.0202 9.1446 18.1481 -3.81627 -29.0203 -3.81631 -0.108629 GPRESSAVG: 3341800 -17.0873 7.45389 -30.9755 9.45562 17.8859 -4.14068 -28.1769 -2.49205 0.459515 TIMING: 3341800 CPU: 10556.1, 0.00316885/step Wall: 10556.1, 0.00316885/step, 1.45961 hours remaining, 235.722656 MB of memory in use. ENERGY: 3341800 4087.2428 20714.1844 14477.1441 236.4499 -203174.0037 2362.9893 0.0000 0.0000 52199.8366 -109096.1566 299.9932 -161295.9932 -108734.0547 299.9460 -95.0132 -67.9636 762166.3272 0.4782 0.4194 PRESSURE: 3342000 -349.345 -147.872 112.199 -147.871 -34.9589 -11.5921 112.199 -11.5926 -232.294 GPRESSURE: 3342000 -254.32 -187.464 -16.3671 -38.5697 -35.1261 -111.384 65.9168 108.458 -236.819 PRESSAVG: 3342000 -6.23484 -48.2186 -2.86835 -48.2186 -10.1176 -5.01285 -2.86834 -5.01295 -10.6355 GPRESSAVG: 3342000 -5.44044 -45.9822 -3.37249 -47.0193 -10.002 -5.72708 -3.82157 -2.77611 -11.0475 TIMING: 3342000 CPU: 10556.7, 0.00317731/step Wall: 10556.7, 0.00317731/step, 1.46333 hours remaining, 235.722656 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: 3342000 3971.8359 20619.9403 14554.9015 220.0387 -203337.6170 2492.5503 0.0000 0.0000 52225.0997 -109253.2506 300.1384 -161478.3504 -108901.8171 300.0110 -205.5324 -175.4217 761161.5146 -8.9960 -8.8299 PRESSURE: 3342200 108.265 54.0845 -37.4628 54.0846 41.2869 -17.393 -37.463 -17.3931 162.773 GPRESSURE: 3342200 106.173 69.7944 -108.982 46.9181 95.0679 46.416 -27.4503 -36.0973 184.902 PRESSAVG: 3342200 -40.075 -20.2923 -9.0975 -20.2923 0.800863 -5.2297 -9.09747 -5.22973 1.49632 GPRESSAVG: 3342200 -40.1896 -20.8616 -8.07734 -23.8257 1.49216 -3.698 -8.54211 -7.01953 0.771175 TIMING: 3342200 CPU: 10557.3, 0.00315261/step Wall: 10557.3, 0.00315261/step, 1.45178 hours remaining, 235.722656 MB of memory in use. ENERGY: 3342200 3959.3776 20495.2990 14541.2079 251.3270 -203210.6226 2566.3657 0.0000 0.0000 52315.9706 -109081.0749 300.6606 -161397.0455 -108727.5164 299.7623 104.1084 128.7140 762762.5687 -12.5926 -12.6421 PRESSURE: 3342400 21.0672 -106.153 -36.7027 -106.153 -147.481 270.557 -36.7027 270.556 -37.5 GPRESSURE: 3342400 -1.64158 -29.2969 -150.194 -67.214 -26.2489 289.511 -43.9415 122.345 -44.2143 PRESSAVG: 3342400 -16.0019 4.74116 37.0993 4.74109 23.3953 88.3713 37.0993 88.3712 15.4517 GPRESSAVG: 3342400 -17.7566 5.0105 37.5025 5.94683 23.3829 88.0581 37.3094 87.1913 16.3403 TIMING: 3342400 CPU: 10558, 0.00318017/step Wall: 10558, 0.00318017/step, 1.46429 hours remaining, 235.722656 MB of memory in use. ENERGY: 3342400 4072.1920 20619.6727 14483.2215 270.1753 -203323.8888 2817.2185 0.0000 0.0000 52050.0415 -109011.3673 299.1323 -161061.4088 -108651.3769 299.8339 -54.6380 -24.0349 762695.8349 7.6150 7.3222 PRESSURE: 3342600 -131.584 -140.355 115.266 -140.354 -327.4 43.1913 115.265 43.1909 190.168 GPRESSURE: 3342600 -73.0884 -109.434 102.683 -213.037 -248.96 57.8785 27.9972 46.9325 175.169 PRESSAVG: 3342600 21.1797 -40.0932 46.4982 -40.0932 0.986277 56.92 46.4982 56.92 9.2623 GPRESSAVG: 3342600 21.8147 -39.4258 47.0294 -39.7191 2.08697 54.3907 45.8927 58.7197 8.24764 TIMING: 3342600 CPU: 10558.6, 0.00317613/step Wall: 10558.6, 0.00317613/step, 1.46226 hours remaining, 235.722656 MB of memory in use. ENERGY: 3342600 4022.0556 20519.0504 14478.5569 232.0462 -203320.5609 2730.3856 0.0000 0.0000 52201.1151 -109137.3510 300.0005 -161338.4661 -108777.3305 299.8370 -89.6055 -48.9598 761603.7461 10.4761 10.7164 PRESSURE: 3342800 111.324 -130.822 68.1246 -130.822 -125.878 199.283 68.1244 199.284 -113.145 GPRESSURE: 3342800 97.5127 -53.7476 18.6204 -133.459 -18.3421 135.1 -5.09884 184.993 -151.097 PRESSAVG: 3342800 22.0925 -54.7066 -2.72117 -54.7066 -5.34327 13.4369 -2.72119 13.4368 19.5956 GPRESSAVG: 3342800 23.2437 -52.5929 -3.34616 -53.8528 -6.17139 14.7433 -1.48121 12.1159 19.3702 TIMING: 3342800 CPU: 10559.2, 0.00318064/step Wall: 10559.2, 0.00318064/step, 1.46416 hours remaining, 235.722656 MB of memory in use. ENERGY: 3342800 4013.5697 20489.9115 14494.7966 242.7199 -203397.5597 2875.7553 0.0000 0.0000 52178.3357 -109102.4711 299.8696 -161280.8068 -108739.4075 299.5189 -42.5663 -23.9756 760827.4701 12.1150 12.1475 PRESSURE: 3343000 -31.9691 -10.6357 42.8144 -10.6362 -335.13 -74.6319 42.8149 -74.6323 31.8505 GPRESSURE: 3343000 -21.7626 -78.4594 -8.05809 -63.4004 -246.298 -98.4095 50.9517 -36.0453 17.4736 PRESSAVG: 3343000 12.8267 -33.8695 -8.6937 -33.8695 7.98035 28.7241 -8.69371 28.7241 2.35072 GPRESSAVG: 3343000 11.9594 -37.0854 -7.46299 -35.199 8.43293 29.5501 -9.88448 30.1289 2.7191 TIMING: 3343000 CPU: 10559.9, 0.00320248/step Wall: 10559.9, 0.00320248/step, 1.47403 hours remaining, 235.722656 MB of memory in use. ENERGY: 3343000 3943.2106 20500.4119 14627.5385 251.0319 -203163.1050 2495.6133 0.0000 0.0000 52217.0202 -109128.2785 300.0919 -161345.2987 -108764.4841 299.4452 -111.7494 -83.5289 761279.6739 7.7192 7.7038 PRESSURE: 3343200 24.065 27.0164 -63.4976 27.0154 220.614 119.178 -63.4971 119.178 -117.074 GPRESSURE: 3343200 29.9047 -29.8107 5.3732 41.22 240.398 43.8767 -155.61 29.3172 -51.2154 PRESSAVG: 3343200 -6.24527 -47.598 26.9553 -47.5979 -32.1172 53.2555 26.9553 53.2556 -0.295292 GPRESSAVG: 3343200 -5.73574 -47.5671 29.0683 -48.506 -33.1826 54.0771 25.9123 52.3504 -0.0315778 TIMING: 3343200 CPU: 10560.5, 0.00318951/step Wall: 10560.5, 0.00318951/step, 1.46788 hours remaining, 235.925781 MB of memory in use. ENERGY: 3343200 4039.5018 20636.3367 14503.6395 241.3351 -203328.0167 2635.6806 0.0000 0.0000 52276.4767 -108995.0464 300.4336 -161271.5231 -108643.6422 300.0598 42.5350 73.0292 761475.3587 -12.8859 -12.9833 PRESSURE: 3343400 -88.0302 -68.6807 144.3 -68.681 -95.8282 32.7122 144.3 32.7133 1.51759 GPRESSURE: 3343400 -60.0352 -81.9634 181.853 119.595 -51.8557 35.4548 143.067 -47.9877 1.91116 PRESSAVG: 3343400 -37.5519 -8.54683 48.5189 -8.54687 63.5327 -31.3617 48.5189 -31.3617 0.199015 GPRESSAVG: 3343400 -37.8415 -10.0346 45.6979 -6.64011 64.5567 -32.8455 51.7759 -30.7998 -0.656512 TIMING: 3343400 CPU: 10561.2, 0.00314481/step Wall: 10561.2, 0.00314481/step, 1.44714 hours remaining, 235.925781 MB of memory in use. ENERGY: 3343400 3983.5675 20588.7290 14510.3103 242.7952 -203057.1271 2436.2439 0.0000 0.0000 52385.0159 -108910.4653 301.0574 -161295.4812 -108538.8182 299.8802 -60.7803 -36.6599 761394.2289 8.7266 8.6862 PRESSURE: 3343600 -63.2686 -107.492 109.472 -107.492 32.5325 -2.2074 109.472 -2.2081 326.587 GPRESSURE: 3343600 3.64922 20.0805 134.022 -54.4274 -40.3518 56.6768 119.914 -123.695 409.521 PRESSAVG: 3343600 -85.3445 6.91897 5.50325 6.91896 35.7307 17.6806 5.50327 17.6807 4.74945 GPRESSAVG: 3343600 -85.4634 6.61472 6.35493 6.55464 34.247 19.8887 6.09452 15.7382 5.32632 TIMING: 3343600 CPU: 10561.8, 0.00316931/step Wall: 10561.8, 0.00316931/step, 1.45823 hours remaining, 235.925781 MB of memory in use. ENERGY: 3343600 3935.9787 20633.3792 14462.5998 242.2004 -203126.2583 2577.6183 0.0000 0.0000 52168.5212 -109105.9606 299.8132 -161274.4818 -108744.6466 300.1892 98.6171 124.2729 760877.8614 -14.9548 -15.2967 PRESSURE: 3343800 144.025 -61.9943 -65.4384 -61.9944 -196.705 74.8914 -65.4395 74.8911 -38.9656 GPRESSURE: 3343800 174.929 -34.5522 -53.4269 -18.9363 -109.055 -17.6328 18.0898 186.706 -82.3958 PRESSAVG: 3343800 -40.4402 -12.1312 28.4242 -12.1311 29.4958 55.576 28.4242 55.5761 8.40282 GPRESSAVG: 3343800 -42.1994 -9.92293 28.5531 -11.1421 31.3942 54.2015 26.6821 54.6785 8.73036 TIMING: 3343800 CPU: 10562.4, 0.00316518/step Wall: 10562.4, 0.00316518/step, 1.45616 hours remaining, 235.925781 MB of memory in use. ENERGY: 3343800 3956.8195 20543.3010 14522.4075 234.1750 -203327.3266 2609.7476 0.0000 0.0000 52133.7397 -109327.1363 299.6133 -161460.8760 -108958.4060 299.7173 -30.5486 -5.5074 762405.2456 -0.8472 -0.6916 PRESSURE: 3344000 -280.856 -37.6748 324.14 -37.6749 -336.435 -39.1841 324.14 -39.1854 14.1421 GPRESSURE: 3344000 -270.529 -100.312 322.16 -2.89307 -276.557 118.741 245.65 -108.548 21.7473 PRESSAVG: 3344000 1.14647 48.5024 3.05913 48.5024 15.0552 39.2196 3.05919 39.2195 -13.6959 GPRESSAVG: 3344000 3.61105 48.2717 2.24576 49.2583 13.103 39.1316 3.4589 41.9161 -13.7836 TIMING: 3344000 CPU: 10563.1, 0.00317956/step Wall: 10563.1, 0.00317956/step, 1.4626 hours remaining, 235.925781 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: 3344000 4065.0276 20649.2704 14475.7530 255.0640 -203282.5589 2529.7188 0.0000 0.0000 52147.0049 -109160.7203 299.6896 -161307.7251 -108805.2229 299.6692 -201.0496 -175.1127 763084.2607 0.8353 0.9768 PRESSURE: 3344200 202.454 -83.4408 28.4561 -83.4401 339.946 -63.7497 28.4554 -63.7509 303.694 GPRESSURE: 3344200 199.357 -38.0998 -1.50515 -106.034 463.45 -95.4812 -6.18921 36.2234 280.891 PRESSAVG: 3344200 -30.1428 9.16862 17.8762 9.16865 10.1413 -12.4087 17.8761 -12.4088 -18.9145 GPRESSAVG: 3344200 -30.4676 11.2435 19.3323 5.33102 12.0039 -13.7529 18.9355 -9.59742 -20.3367 TIMING: 3344200 CPU: 10563.7, 0.00316799/step Wall: 10563.7, 0.00316799/step, 1.4571 hours remaining, 235.925781 MB of memory in use. ENERGY: 3344200 3988.4292 20606.9732 14435.2821 249.8739 -203726.4577 2983.3534 0.0000 0.0000 52142.1342 -109320.4117 299.6616 -161462.5459 -108963.2001 299.4619 282.0313 314.5661 760211.0734 -12.9720 -12.9334 LDB: ============= START OF LOAD BALANCING ============== 10576.2 LDB: ============== END OF LOAD BALANCING =============== 10576.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10576.2 LDB: ============= START OF LOAD BALANCING ============== 10576.5 LDB: Largest compute 7030 load 0.032985 is 16.9% of average load 0.195597 LDB: Average compute 0.004354 is 2.2% of average load 0.195597 LDB: TIME 10576.5 LOAD: AVG 0.195597 MAX 0.215381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 10576.5 LOAD: AVG 0.195597 MAX 0.215381 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: TIME 10576.5 LOAD: AVG 0.195597 MAX 0.215381 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.449 MB LDB: ============== END OF LOAD BALANCING =============== 10576.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10576.6 PRESSURE: 3344400 -331.517 29.6606 -1.92196 29.6613 106.738 -37.7911 -1.92184 -37.7907 176.841 GPRESSURE: 3344400 -230.552 29.7368 7.23044 92.5789 70.3989 -52.3222 71.5528 -94.7342 192.466 PRESSAVG: 3344400 13.8521 19.905 -3.54556 19.905 21.8289 81.64 -3.54554 81.64 -2.70498 GPRESSAVG: 3344400 13.8371 16.7757 -5.10837 23.259 20.7768 81.4516 -3.48107 80.7598 -1.68611 TIMING: 3344400 CPU: 10564.3, 0.00323319/step Wall: 10564.3, 0.00323319/step, 1.48691 hours remaining, 237.050781 MB of memory in use. ENERGY: 3344400 3913.5217 20361.4063 14528.6914 248.9872 -203112.5794 2536.8883 0.0000 0.0000 52126.4109 -109396.6736 299.5712 -161523.0844 -109028.9718 298.6872 -15.9794 10.7709 761425.1642 10.9920 10.9759 PRESSURE: 3344600 -51.2813 -128.906 131.284 -128.907 79.5807 -57.4883 131.284 -57.4887 177.923 GPRESSURE: 3344600 -51.2347 -158.5 91.0756 -138.474 159.317 -84.6589 238.95 -83.3453 173.879 PRESSAVG: 3344600 -46.7014 -9.12143 31.4563 -9.12143 88.1898 -1.92813 31.4563 -1.92812 -19.7754 GPRESSAVG: 3344600 -46.9843 -7.27469 32.9542 -9.79717 88.2966 -0.681032 30.1541 -2.37609 -19.924 TIMING: 3344600 CPU: 10565, 0.0031719/step Wall: 10565, 0.0031719/step, 1.45855 hours remaining, 237.253906 MB of memory in use. ENERGY: 3344600 3929.2205 20408.9477 14506.8029 245.7235 -203603.2632 2840.1888 0.0000 0.0000 52088.1470 -109584.2327 299.3513 -161672.3797 -109226.0728 298.7959 68.7408 93.9872 760843.3596 7.2377 7.1294 PRESSURE: 3344800 219.284 195.244 -92.0156 195.243 219.495 36.9299 -92.0161 36.9308 228.857 GPRESSURE: 3344800 201.162 189.303 -92.2004 101.104 241.687 -22.8717 -91.4673 43.5073 307.25 PRESSAVG: 3344800 31.9947 -16.4594 38.2215 -16.4594 8.76786 64.6783 38.2215 64.6782 -2.33699 GPRESSAVG: 3344800 31.7159 -16.9693 37.5141 -18.0568 7.94557 63.4649 38.0944 64.5611 -1.48663 TIMING: 3344800 CPU: 10565.6, 0.00317667/step Wall: 10565.6, 0.00317667/step, 1.46056 hours remaining, 237.253906 MB of memory in use. ENERGY: 3344800 3989.9302 20496.4167 14540.9338 247.7254 -203321.8093 2750.4907 0.0000 0.0000 51679.5839 -109616.7287 297.0033 -161296.3126 -109263.3276 298.6451 222.5455 250.0329 760779.7393 12.8085 12.7249 PRESSURE: 3345000 -38.7359 -66.3883 -37.5252 -66.3876 73.1709 -10.9658 -37.5247 -10.9657 -173.301 GPRESSURE: 3345000 -43.9072 49.244 20.5363 10.6818 209.527 -78.5024 -126.141 52.019 -223.23 PRESSAVG: 3345000 -43.3949 10.5887 26.8098 10.5887 68.655 3.19018 26.8098 3.19017 1.58723 GPRESSAVG: 3345000 -43.2392 10.8299 25.5891 12.1587 69.3578 3.67983 27.3635 4.55458 1.06389 TIMING: 3345000 CPU: 10566.2, 0.00317233/step Wall: 10566.2, 0.00317234/step, 1.45839 hours remaining, 237.253906 MB of memory in use. ENERGY: 3345000 4010.8980 20651.4153 14496.5228 254.6905 -203483.6120 2646.3699 0.0000 0.0000 52087.8008 -109335.9147 299.3493 -161423.7155 -108981.2445 299.0935 -46.2887 -19.2036 762629.1675 8.9491 9.0608 PRESSURE: 3345200 112.555 -107.822 180.214 -107.823 -98.1067 130.229 180.214 130.229 112.26 GPRESSURE: 3345200 102.738 -104.292 146.72 121.42 -69.9721 135.73 203.844 171.643 153.785 PRESSAVG: 3345200 -43.2323 -11.8816 -27.1911 -11.8816 79.3083 -18.008 -27.1911 -18.008 23.9903 GPRESSAVG: 3345200 -43.914 -9.80788 -26.762 -11.8129 79.0192 -18.4612 -27.4973 -16.7381 25.0169 TIMING: 3345200 CPU: 10566.9, 0.0031869/step Wall: 10566.9, 0.0031869/step, 1.46491 hours remaining, 237.253906 MB of memory in use. ENERGY: 3345200 4004.7045 20518.2428 14448.2486 260.7626 -203384.2131 2573.2335 0.0000 0.0000 52151.6228 -109427.3983 299.7161 -161579.0211 -109069.4293 299.3091 42.2361 62.1838 760593.7835 20.0221 20.0407 PRESSURE: 3345400 -224.82 22.4031 -118.366 22.4029 92.882 -7.09697 -118.366 -7.09691 199.493 GPRESSURE: 3345400 -129.777 -29.2275 -92.7074 -79.5558 130.282 28.8771 -183.716 40.4734 179.302 PRESSAVG: 3345400 -52.916 -23.7496 8.75802 -23.7496 68.8138 7.15 8.7581 7.14997 1.16828 GPRESSAVG: 3345400 -53.01 -25.7767 8.55458 -23.8072 69.2838 7.21586 6.56238 6.55237 0.220148 TIMING: 3345400 CPU: 10567.5, 0.00319454/step Wall: 10567.5, 0.00319454/step, 1.46825 hours remaining, 237.253906 MB of memory in use. ENERGY: 3345400 4017.3135 20411.3274 14482.0904 231.3059 -202717.5913 2439.2889 0.0000 0.0000 51817.7276 -109318.5376 297.7972 -161136.2652 -108954.9607 299.2077 22.5183 59.9358 760652.3897 5.6887 5.4980 PRESSURE: 3345600 -134.696 116.321 -203.648 116.321 -215.056 -184.141 -203.647 -184.142 -88.2896 GPRESSURE: 3345600 -141.749 60.6312 -256.05 106.553 -117.697 -135.188 -194.85 -57.075 -110.727 PRESSAVG: 3345600 -33.0898 -35.0256 2.61952 -35.0256 46.2675 -43.8933 2.61957 -43.8933 -3.14574 GPRESSAVG: 3345600 -33.6554 -35.9625 0.76864 -34.8962 46.2309 -42.497 5.12671 -46.2564 -3.04386 TIMING: 3345600 CPU: 10568.2, 0.00320157/step Wall: 10568.2, 0.00320157/step, 1.4713 hours remaining, 237.253906 MB of memory in use. ENERGY: 3345600 3953.6793 20425.2125 14503.9370 267.4584 -202840.0276 2259.0094 0.0000 0.0000 52062.2382 -109368.4928 299.2024 -161430.7309 -109006.0148 299.0174 -146.0140 -123.3909 762348.5518 3.3440 3.1772 PRESSURE: 3345800 -37.0799 -74.6511 -84.8624 -74.6509 136.017 -157.12 -84.8625 -157.119 -185.211 GPRESSURE: 3345800 50.1562 -42.0521 -37.3369 -165.271 120.443 -187.926 -35.4516 -86.7012 -208.806 PRESSAVG: 3345800 -2.40789 -24.5261 -52.5612 -24.526 24.5535 5.98604 -52.5612 5.98608 3.50266 GPRESSAVG: 3345800 -0.584091 -23.7618 -51.5457 -24.7841 24.103 6.06387 -53.1165 7.52905 2.29682 TIMING: 3345800 CPU: 10568.8, 0.00320611/step Wall: 10568.8, 0.00320611/step, 1.47321 hours remaining, 237.253906 MB of memory in use. ENERGY: 3345800 3945.9195 20497.0340 14477.0024 247.3657 -203284.8133 2652.6974 0.0000 0.0000 51949.6579 -109515.1364 298.5554 -161464.7942 -109150.0775 298.6019 -28.7582 -12.7356 762837.2156 8.5494 8.6052 PRESSURE: 3346000 93.1922 -97.116 89.5941 -97.1157 -195.579 -209.59 89.5941 -209.59 -273.895 GPRESSURE: 3346000 62.7425 -15.2798 88.4633 -121.287 -121.556 -207.743 18.682 -232.165 -226.478 PRESSAVG: 3346000 24.1665 -12.5894 -3.79639 -12.5893 -20.0711 -26.4666 -3.79636 -26.4666 23.2861 GPRESSAVG: 3346000 23.7877 -12.0016 -3.51123 -13.9473 -19.8694 -26.3837 -3.30853 -26.0553 23.9726 TIMING: 3346000 CPU: 10569.4, 0.00316298/step Wall: 10569.4, 0.00316298/step, 1.45321 hours remaining, 237.253906 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: 3346000 3988.4332 20507.6861 14441.8725 224.2506 -203231.4309 2465.2994 0.0000 0.0000 52052.6191 -109551.2698 299.1471 -161603.8890 -109182.2533 298.2994 -125.4274 -95.0972 763196.5767 9.1271 9.2970 PRESSURE: 3346200 0.268575 -342.436 82.7821 -342.437 255.283 63.6138 82.7821 63.6143 72.4411 GPRESSURE: 3346200 70.0167 -200.695 110.372 -309.142 235.623 38.8592 65.3798 68.4651 108.739 PRESSAVG: 3346200 -22.5474 -24.5712 -17.0487 -24.5711 15.9108 -10.4642 -17.0487 -10.4641 11.383 GPRESSAVG: 3346200 -22.8222 -25.5157 -15.8642 -24.336 16.5727 -11.1637 -16.9898 -12.8872 11.2064 TIMING: 3346200 CPU: 10570.1, 0.00317566/step Wall: 10570.1, 0.00317566/step, 1.45886 hours remaining, 237.253906 MB of memory in use. ENERGY: 3346200 4028.6781 20508.0290 14537.0920 241.5213 -203652.2851 2717.3072 0.0000 0.0000 52317.9893 -109301.6683 300.6722 -161619.6575 -108938.5371 298.9190 109.3309 138.1264 760454.6669 1.5821 1.6523 PRESSURE: 3346400 -109.825 -173.107 77.3362 -173.107 101.315 10.9179 77.3362 10.9183 -34.8224 GPRESSURE: 3346400 -25.1313 -186.279 60.6536 -77.5629 66.7652 83.9189 67.805 80.8984 25.1038 PRESSAVG: 3346400 28.8045 7.1125 -3.80779 7.11244 17.606 -82.6444 -3.8078 -82.6443 3.44119 GPRESSAVG: 3346400 27.5335 9.10133 -5.00685 9.77277 17.6083 -81.7953 -1.712 -82.8218 4.46815 TIMING: 3346400 CPU: 10570.7, 0.00317056/step Wall: 10570.7, 0.00317056/step, 1.45634 hours remaining, 237.253906 MB of memory in use. ENERGY: 3346400 3926.3524 20358.6888 14506.7001 264.8453 -203117.9253 2679.8647 0.0000 0.0000 51986.9507 -109394.5234 298.7697 -161381.4741 -109031.0855 299.0005 -14.4440 22.2459 762267.3005 16.6172 16.5366 PRESSURE: 3346600 222.023 -211.934 -29.9889 -211.934 -103.006 -182.163 -29.9888 -182.163 -319.982 GPRESSURE: 3346600 222.54 -57.1111 0.887676 -51.0878 -55.6619 -165.567 77.1714 -239.392 -271.783 PRESSAVG: 3346600 84.8114 -4.68256 -33.9344 -4.68264 -29.1809 -15.4039 -33.9344 -15.4039 -1.67705 GPRESSAVG: 3346600 86.7353 -5.28151 -35.325 -4.73318 -30.2977 -18.4381 -35.8612 -14.1836 -2.75667 TIMING: 3346600 CPU: 10571.3, 0.00316533/step Wall: 10571.3, 0.00316533/step, 1.45377 hours remaining, 237.253906 MB of memory in use. ENERGY: 3346600 3990.4784 20300.3909 14471.5149 233.0363 -203495.3536 2808.2458 0.0000 0.0000 52280.1011 -109411.5863 300.4545 -161691.6875 -109037.0612 298.7761 -66.9885 -34.9681 763501.1697 17.9845 17.8936 PRESSURE: 3346800 -105.992 -48.8355 -103.61 -48.8353 92.9989 -160.534 -103.61 -160.534 72.8571 GPRESSURE: 3346800 1.07182 -195.116 -121.922 -102.432 46.9223 -70.9512 -61.1327 -244.063 89.6019 PRESSAVG: 3346800 27.046 4.44976 40.2678 4.4498 -0.525315 3.68103 40.2678 3.68097 22.6884 GPRESSAVG: 3346800 25.966 0.958538 41.2614 2.65032 1.22583 5.98352 40.1425 4.71153 22.0348 TIMING: 3346800 CPU: 10572, 0.0031625/step Wall: 10572, 0.0031625/step, 1.45229 hours remaining, 237.253906 MB of memory in use. ENERGY: 3346800 3942.5183 20407.8116 14417.0811 261.8239 -203164.4336 2612.2225 0.0000 0.0000 52142.8765 -109380.0996 299.6658 -161522.9761 -109024.9122 298.9799 19.9546 45.8654 762970.5414 16.4030 16.4089 PRESSURE: 3347000 -86.8798 -91.4838 82.2209 -91.4833 129.318 134.535 82.22 134.534 155.925 GPRESSURE: 3347000 -77.06 12.9443 127.447 -63.5092 189.455 147.868 -9.39624 65.6145 141.526 PRESSAVG: 3347000 22.983 -25.5003 28.8453 -25.5004 -18.8017 -9.33977 28.8453 -9.33976 -1.21596 GPRESSAVG: 3347000 23.7224 -22.8194 28.1449 -26.6066 -20.5748 -10.8208 28.6458 -12.5037 0.0317084 TIMING: 3347000 CPU: 10572.6, 0.00318881/step Wall: 10572.6, 0.00318881/step, 1.46419 hours remaining, 237.253906 MB of memory in use. ENERGY: 3347000 4015.4807 20388.5922 14432.4279 242.8922 -202877.5166 2645.7469 0.0000 0.0000 51872.5858 -109279.7909 298.1125 -161152.3767 -108920.8362 298.8988 66.1212 84.6404 763183.6949 0.9884 1.0598 PRESSURE: 3347200 -180.462 254.028 -165.153 254.028 5.50981 -4.18791 -165.153 -4.18759 190.784 GPRESSURE: 3347200 -239.894 414.631 -75.9265 237.679 110.187 -28.5233 -172.394 40.8928 232.72 PRESSAVG: 3347200 27.9755 10.1923 17.0917 10.1923 -25.2497 -40.6318 17.0916 -40.6319 6.54637 GPRESSAVG: 3347200 27.4537 11.7585 18.2001 11.9829 -24.0616 -39.9257 17.7212 -37.7573 5.9674 TIMING: 3347200 CPU: 10573.2, 0.00321657/step Wall: 10573.2, 0.00321657/step, 1.47676 hours remaining, 237.253906 MB of memory in use. ENERGY: 3347200 4011.2701 20240.7914 14437.2814 241.2375 -202711.1100 2366.7204 0.0000 0.0000 52035.0833 -109378.7260 299.0463 -161413.8093 -109017.9437 298.7081 5.2772 34.3375 764205.5752 3.0907 3.1198 PRESSURE: 3347400 -17.3214 -173.856 67.2072 -173.855 -112.469 15.5021 67.2067 15.5029 -186.882 GPRESSURE: 3347400 -24.0194 -135.256 12.9325 -109.528 -73.8179 -97.1118 8.41854 70.7233 -134.651 PRESSAVG: 3347400 -9.97016 -9.49016 9.32537 -9.49015 -4.6706 -11.1626 9.32543 -11.1627 3.93166 GPRESSAVG: 3347400 -10.1644 -10.2567 9.1084 -10.9792 -4.13256 -11.6445 8.02688 -11.9454 3.45673 TIMING: 3347400 CPU: 10573.9, 0.00315982/step Wall: 10573.9, 0.00315982/step, 1.45053 hours remaining, 237.253906 MB of memory in use. ENERGY: 3347400 4010.6429 20437.4841 14454.1789 241.3619 -203168.2735 2667.2669 0.0000 0.0000 51797.3485 -109559.9903 297.6801 -161357.3388 -109213.7155 298.8565 -105.5575 -77.4960 762523.6038 -3.5697 -3.6134 PRESSURE: 3347600 -155.463 257.241 164.119 257.241 101.728 -177.363 164.12 -177.363 330.629 GPRESSURE: 3347600 -23.1484 278.279 105.2 135.924 65.4648 -154.817 159.66 -181.635 295.107 PRESSAVG: 3347600 32.9719 -17.9389 -14.1606 -17.9389 -20.601 18.6743 -14.1606 18.6742 -11.7259 GPRESSAVG: 3347600 34.8859 -18.6721 -16.1299 -15.7289 -23.7962 18.2922 -12.3902 19.0366 -11.3074 TIMING: 3347600 CPU: 10574.5, 0.00316357/step Wall: 10574.5, 0.00316357/step, 1.45208 hours remaining, 237.253906 MB of memory in use. ENERGY: 3347600 4020.8537 20386.6033 14454.6594 242.1108 -203325.4765 2950.9775 0.0000 0.0000 52033.5582 -109236.7137 299.0376 -161270.2719 -108877.7405 298.5871 92.2982 112.4745 763495.2928 0.2150 -0.0726 PRESSURE: 3347800 -63.5252 71.6708 84.642 71.6709 -93.8368 34.3229 84.6408 34.324 -1.22429 GPRESSURE: 3347800 -28.3908 139.362 92.0131 26.2427 -35.8947 54.4643 -4.96847 15.1583 -5.37925 PRESSAVG: 3347800 -9.57189 21.8608 -15.9021 21.8609 5.73336 17.946 -15.9021 17.9461 -32.6837 GPRESSAVG: 3347800 -10.3155 23.3717 -13.613 23.1497 7.82748 19.8448 -17.4901 18.462 -34.1933 TIMING: 3347800 CPU: 10575.1, 0.00320143/step Wall: 10575.1, 0.00320144/step, 1.46928 hours remaining, 237.253906 MB of memory in use. ENERGY: 3347800 3930.1371 20632.1425 14402.6171 275.1293 -203296.2896 2659.0170 0.0000 0.0000 52069.0020 -109328.2446 299.2413 -161397.2466 -108975.0327 299.0837 -52.8621 -23.2216 762627.0953 -12.1741 -12.2271 PRESSURE: 3348000 -70.8027 -144.745 84.145 -144.745 -66.1202 122.497 84.1449 122.497 -181.725 GPRESSURE: 3348000 20.1528 -168.296 63.0335 -113.099 -65.8417 65.4621 35.4026 73.9374 -175.659 PRESSAVG: 3348000 -14.9785 -2.88271 28.7355 -2.88269 -31.005 40.2092 28.7355 40.2092 5.05453 GPRESSAVG: 3348000 -15.0348 -6.05951 28.3676 -3.36596 -32.2771 39.3936 28.4537 42.3691 6.2616 TIMING: 3348000 CPU: 10575.8, 0.00322304/step Wall: 10575.8, 0.00322304/step, 1.47902 hours remaining, 237.253906 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: 3348000 3923.8679 20559.3907 14465.4414 228.3250 -202905.3849 2649.0273 0.0000 0.0000 51916.6539 -109162.6787 298.3657 -161079.3326 -108792.4850 299.1395 -106.2161 -73.7825 763515.3742 -13.6430 -13.6834 PRESSURE: 3348200 172.455 35.7657 -5.67308 35.7656 -247.87 -178.668 -5.67286 -178.668 -266.21 GPRESSURE: 3348200 162.343 -111.883 38.5861 176.97 -95.7686 -136.48 -8.56804 -44.6632 -317.931 PRESSAVG: 3348200 2.5651 42.2334 -10.1572 42.2334 -10.3017 49.8141 -10.1572 49.8141 -15.2869 GPRESSAVG: 3348200 2.06437 43.84 -9.66112 39.9695 -10.0164 50.0991 -9.00786 47.0163 -15.0505 TIMING: 3348200 CPU: 10576.4, 0.00321525/step Wall: 10576.4, 0.00321525/step, 1.47526 hours remaining, 237.253906 MB of memory in use. ENERGY: 3348200 3970.0276 20522.0799 14509.3516 256.3543 -203404.0300 2866.2967 0.0000 0.0000 52097.1586 -109182.7613 299.4031 -161279.9199 -108814.8515 298.8438 -113.8750 -83.7856 764611.5580 -7.6745 -7.6675 LDB: ============= START OF LOAD BALANCING ============== 10589 LDB: ============== END OF LOAD BALANCING =============== 10589 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10589 LDB: ============= START OF LOAD BALANCING ============== 10589.3 LDB: Largest compute 7030 load 0.031014 is 15.9% of average load 0.195590 LDB: Average compute 0.004358 is 2.2% of average load 0.195590 LDB: TIME 10589.3 LOAD: AVG 0.19559 MAX 0.21297 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 10589.3 LOAD: AVG 0.19559 MAX 0.21297 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: TIME 10589.3 LOAD: AVG 0.19559 MAX 0.21297 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.578 MB LDB: ============== END OF LOAD BALANCING =============== 10589.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10589.3 PRESSURE: 3348400 129.868 2.45648 1.54313 2.4572 159.378 -48.6265 1.54255 -48.6248 -30.7801 GPRESSURE: 3348400 109.852 36.173 14.0918 15.4955 190.497 -109.575 -48.2252 -11.8567 23.2591 PRESSAVG: 3348400 4.49028 -3.57051 10.2715 -3.57046 -12.2048 -0.172027 10.2715 -0.171931 -10.5028 GPRESSAVG: 3348400 3.03214 -5.04301 9.28862 -2.3328 -11.0299 -0.697846 11.3923 1.76267 -10.2773 TIMING: 3348400 CPU: 10577.1, 0.00327584/step Wall: 10577.1, 0.00327584/step, 1.50288 hours remaining, 234.996094 MB of memory in use. ENERGY: 3348400 3973.1172 20430.8574 14496.6754 246.9739 -203359.8666 2730.7888 0.0000 0.0000 52110.2863 -109371.1676 299.4785 -161481.4539 -109002.1646 299.0186 86.1556 107.8694 762687.6734 -6.0725 -6.0917 PRESSURE: 3348600 97.1684 -33.0161 116.949 -33.0158 -93.8315 348.996 116.949 348.996 78.0222 GPRESSURE: 3348600 219.339 -94.289 175.456 -78.5428 -96.2754 328.635 213.271 276.815 41.063 PRESSAVG: 3348600 9.40577 34.6818 50.9987 34.6818 -1.63661 20.5376 50.9987 20.5376 -4.5705 GPRESSAVG: 3348600 10.0821 34.056 52.2614 33.5652 -2.49869 21.2626 49.6083 19.1595 -4.49367 TIMING: 3348600 CPU: 10577.7, 0.003201/step Wall: 10577.7, 0.003201/step, 1.46837 hours remaining, 234.996094 MB of memory in use. ENERGY: 3348600 3986.7946 20468.3255 14404.1350 240.7643 -203084.9446 2549.2225 0.0000 0.0000 52192.7874 -109242.9154 299.9527 -161435.7027 -108880.3044 299.1229 27.1197 54.7090 761916.8539 1.0662 1.0299 PRESSURE: 3348800 389.387 -74.8923 99.1974 -74.8941 127.623 -39.6657 99.1972 -39.665 54.8281 GPRESSURE: 3348800 338.604 -122.324 -21.0295 -181.815 219.593 -39.6583 97.4835 -59.9211 118.994 PRESSAVG: 3348800 -49.2779 0.132924 40.0446 0.132906 68.6441 46.3973 40.0447 46.3974 -29.0067 GPRESSAVG: 3348800 -49.4625 0.665812 39.0695 1.2985 69.5743 46.2244 37.5185 47.5946 -29.9009 TIMING: 3348800 CPU: 10578.4, 0.00318048/step Wall: 10578.4, 0.00318048/step, 1.45878 hours remaining, 234.996094 MB of memory in use. ENERGY: 3348800 4024.8489 20485.6225 14501.2436 246.7476 -203350.4048 2805.4770 0.0000 0.0000 51972.5981 -109313.8670 298.6872 -161286.4651 -108962.0342 299.0558 190.6128 225.7301 762037.4878 -3.2135 -3.2630 PRESSURE: 3349000 -46.7146 55.7854 111.665 55.7847 9.65086 287.959 111.665 287.959 200.166 GPRESSURE: 3349000 64.1441 161.194 118.456 19.443 55.4788 307.817 139.188 236.957 130.153 PRESSAVG: 3349000 -43.2153 38.4298 16.9895 38.4298 44.5284 54.6465 16.9894 54.6465 48.9238 GPRESSAVG: 3349000 -42.0512 39.9246 16.6342 35.6514 43.6279 54.3463 20.3908 51.9031 47.9648 TIMING: 3349000 CPU: 10579, 0.00317784/step Wall: 10579, 0.00317784/step, 1.45739 hours remaining, 234.996094 MB of memory in use. ENERGY: 3349000 4000.0600 20393.9383 14576.0883 236.4929 -203352.1396 2632.2463 0.0000 0.0000 52062.7678 -109450.5460 299.2054 -161513.3139 -109083.2902 298.7421 54.3673 83.2585 762818.7427 16.7456 16.5138 PRESSURE: 3349200 89.4341 221.81 -113.962 221.81 211.672 -86.6847 -113.962 -86.6851 118.177 GPRESSURE: 3349200 38.9353 150.508 9.46963 147.504 288.454 -44.5152 -40.2895 -111.068 178.91 PRESSAVG: 3349200 14.7087 28.5834 -12.9396 28.5834 61.0906 76.235 -12.9396 76.235 -28.1646 GPRESSAVG: 3349200 14.3167 27.1079 -12.8619 31.3446 61.6108 76.1469 -16.0632 77.5026 -27.7918 TIMING: 3349200 CPU: 10579.6, 0.00316562/step Wall: 10579.6, 0.00316562/step, 1.45161 hours remaining, 234.996094 MB of memory in use. ENERGY: 3349200 4025.5598 20455.7587 14583.4892 237.9718 -203580.9395 2720.6750 0.0000 0.0000 52200.5718 -109356.9131 299.9974 -161557.4848 -108992.4639 299.4576 139.7611 168.7662 758791.5016 15.8783 16.0452 PRESSURE: 3349400 202.001 -64.0901 124.303 -64.0907 473.126 47.8927 124.303 47.8919 57.6811 GPRESSURE: 3349400 262.874 -23.5452 159.293 -131.652 453.003 8.49197 186.17 -21.9415 96.8621 PRESSAVG: 3349400 -12.4042 -18.833 -3.6488 -18.833 -27.9536 14.3822 -3.64874 14.3823 -8.4872 GPRESSAVG: 3349400 -12.6229 -18.6238 -3.04741 -19.2702 -27.7208 14.0588 -1.58819 14.3418 -9.05099 TIMING: 3349400 CPU: 10580.3, 0.00316137/step Wall: 10580.3, 0.00316137/step, 1.44949 hours remaining, 234.996094 MB of memory in use. ENERGY: 3349400 4002.1282 20492.7871 14550.4296 247.9642 -203568.2483 2852.6487 0.0000 0.0000 52078.8039 -109343.4866 299.2976 -161422.2905 -108984.9532 299.5603 244.2693 270.9132 761695.6375 -16.2817 -16.4649 PRESSURE: 3349600 100.611 -60.6688 355.266 -60.6694 -131.98 -58.1724 355.266 -58.1728 -63.0593 GPRESSURE: 3349600 70.947 -10.2654 359.858 -17.5624 -79.0032 -65.2011 277.226 14.2672 -13.7465 PRESSAVG: 3349600 4.22463 -13.3433 49.2842 -13.3433 -9.65914 -20.8332 49.2842 -20.8333 -18.1506 GPRESSAVG: 3349600 3.67719 -13.3781 50.4142 -12.3137 -10.82 -21.0356 47.5805 -18.165 -16.873 TIMING: 3349600 CPU: 10580.9, 0.00319388/step Wall: 10580.9, 0.00319388/step, 1.46421 hours remaining, 234.996094 MB of memory in use. ENERGY: 3349600 3997.8250 20720.7981 14529.5701 257.9920 -203419.3008 2480.5126 0.0000 0.0000 52103.7648 -109328.8382 299.4411 -161432.6030 -108972.2066 299.6819 -31.4761 -7.2676 761111.0499 -7.8617 -8.0053 PRESSURE: 3349800 -339.738 38.7939 42.3499 38.7942 -176.011 150.463 42.3506 150.464 -260.079 GPRESSURE: 3349800 -263.059 -10.4903 85.882 12.3911 -158.748 139.499 79.6274 146.364 -278.6 PRESSAVG: 3349800 11.4589 13.6984 73.9869 13.6984 18.5733 -9.6617 73.9868 -9.66165 0.0381576 GPRESSAVG: 3349800 11.1323 14.2232 74.2377 10.5743 18.674 -10.9791 74.3633 -10.2038 0.276146 TIMING: 3349800 CPU: 10581.5, 0.00317643/step Wall: 10581.5, 0.00317643/step, 1.45604 hours remaining, 234.996094 MB of memory in use. ENERGY: 3349800 4097.3523 20620.1087 14453.2195 261.2139 -203259.0239 2330.6904 0.0000 0.0000 52199.2305 -109297.2086 299.9897 -161496.4392 -108941.8450 299.7994 -258.6095 -233.4690 762578.1060 10.0234 10.0275 PRESSURE: 3350000 -145.412 -84.6462 46.6038 -84.6453 -19.5213 18.2431 46.6041 18.2434 252.511 GPRESSURE: 3350000 -118.588 -85.8135 29.7032 -255.406 -13.2716 65.8679 46.2731 -64.7254 273.793 PRESSAVG: 3350000 -56.0684 0.740386 16.6676 0.740365 41.8393 47.569 16.6676 47.569 2.92436 GPRESSAVG: 3350000 -55.6294 0.353894 15.7881 1.80016 42.5026 48.868 18.4246 46.4794 2.42241 TIMING: 3350000 CPU: 10582.2, 0.00317393/step Wall: 10582.2, 0.00317393/step, 1.45472 hours remaining, 234.996094 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: 3350000 4032.5676 20542.4109 14484.4620 232.8127 -203359.3769 2577.2852 0.0000 0.0000 52237.9321 -109251.9065 300.2121 -161489.8386 -108887.7637 299.6415 29.1926 47.3111 760689.7478 -3.7682 -3.5681 PRESSURE: 3350200 -583.824 -139.816 -58.9288 -139.815 -60.9746 11.1238 -58.9285 11.1228 -184.682 GPRESSURE: 3350200 -574.285 -211.675 -114.677 -44.9183 30.1066 20.1027 -29.9751 2.21562 -215.191 PRESSAVG: 3350200 -36.2097 -63.2963 2.56576 -63.2963 62.746 2.79744 2.56565 2.79736 -1.4932 GPRESSAVG: 3350200 -36.8569 -65.3483 1.35024 -63.2737 63.6427 2.88924 1.89198 2.14364 -1.3174 TIMING: 3350200 CPU: 10582.8, 0.00316012/step Wall: 10582.8, 0.00316012/step, 1.44821 hours remaining, 234.996094 MB of memory in use. ENERGY: 3350200 3981.0955 20357.1526 14443.8367 266.8516 -202785.7461 2320.4039 0.0000 0.0000 52001.7218 -109414.6841 298.8546 -161416.4058 -109054.1553 300.0574 -276.4935 -253.1232 762955.8153 8.3477 8.4895 PRESSURE: 3350400 -246.411 94.7775 99.0008 94.7774 1.17089 -50.2257 99.0005 -50.2265 333.344 GPRESSURE: 3350400 -201.842 125.858 85.4284 33.6063 30.128 -119.44 60.853 120.62 341.252 PRESSAVG: 3350400 -51.6245 -48.7456 22.3222 -48.7456 51.8217 21.2742 22.3223 21.2742 13.5174 GPRESSAVG: 3350400 -50.7865 -47.58 23.057 -48.5767 51.4848 20.9352 21.7025 20.2451 13.1351 TIMING: 3350400 CPU: 10583.4, 0.00317944/step Wall: 10583.4, 0.00317944/step, 1.45689 hours remaining, 234.996094 MB of memory in use. ENERGY: 3350400 3998.2775 20591.9132 14489.6758 237.2487 -203666.3424 2921.5417 0.0000 0.0000 51887.2584 -109540.4271 298.1968 -161427.6855 -109185.3942 298.9043 29.3679 56.5125 761482.8538 4.5715 4.6111 PRESSURE: 3350600 -108.422 -71.8853 -304.368 -71.8849 -402.74 -123.65 -304.367 -123.65 67.8548 GPRESSURE: 3350600 -50.0211 -39.2637 -325.46 -83.336 -341.067 -138.426 -225.824 -93.5689 53.5346 PRESSAVG: 3350600 8.26301 -6.5485 7.62061 -6.54851 0.746318 75.2874 7.62053 75.2874 -0.430148 GPRESSAVG: 3350600 8.62644 -4.34188 5.79712 -6.82409 0.786748 76.4657 8.99318 75.6692 -0.408141 TIMING: 3350600 CPU: 10584.1, 0.00317243/step Wall: 10584.1, 0.00317243/step, 1.4535 hours remaining, 234.996094 MB of memory in use. ENERGY: 3350600 4077.9430 20587.8132 14453.5479 268.0004 -204013.0286 2877.3034 0.0000 0.0000 52092.3474 -109656.0733 299.3754 -161748.4207 -109295.1112 299.2927 -147.7690 -112.5177 761589.7704 2.8597 3.0017 PRESSURE: 3350800 -309.298 -172.257 116.062 -172.257 154.418 2.82347 116.062 2.82366 254.188 GPRESSURE: 3350800 -364.756 -148.41 152 -176.807 213.75 -48.3686 183.1 -32.4563 331.34 PRESSAVG: 3350800 -0.659547 -11.1133 14.2678 -11.1133 26.5798 48.4413 14.2677 48.4413 -5.21072 GPRESSAVG: 3350800 -1.21603 -13.2132 14.9851 -11.4686 26.5555 47.3681 12.2288 49.7079 -4.71026 TIMING: 3350800 CPU: 10584.7, 0.00316886/step Wall: 10584.7, 0.00316886/step, 1.45169 hours remaining, 234.996094 MB of memory in use. ENERGY: 3350800 4018.5902 20529.6685 14503.5212 241.2112 -203835.6439 2944.5106 0.0000 0.0000 51982.7300 -109615.4121 298.7455 -161598.1421 -109250.7735 298.7177 33.1027 60.1111 762945.5012 6.9032 6.8764 PRESSURE: 3351000 201.83 -109.87 25.6406 -109.87 2.1323 -76.5134 25.6405 -76.5136 -185.377 GPRESSURE: 3351000 243.646 -126.73 66.5104 -116.972 30.5892 -67.4893 47.3356 7.33383 -163.211 PRESSAVG: 3351000 -24.6038 17.584 28.7881 17.584 25.2706 42.242 28.7881 42.2421 18.4781 GPRESSAVG: 3351000 -23.8703 18.0302 30.0869 16.4425 25.0973 43.6788 30.0079 40.1729 17.0587 TIMING: 3351000 CPU: 10585.3, 0.0031636/step Wall: 10585.3, 0.0031636/step, 1.4491 hours remaining, 234.996094 MB of memory in use. ENERGY: 3351000 3890.3200 20579.8872 14517.0479 249.1712 -203239.8856 2578.4910 0.0000 0.0000 51837.1761 -109587.7921 297.9090 -161424.9683 -109227.1159 298.7782 6.1951 37.0080 763146.7360 6.3816 6.0952 PRESSURE: 3351200 410.982 11.2583 28.905 11.2582 1.35351 133.796 28.905 133.796 164.431 GPRESSURE: 3351200 326.325 -40.2869 85.5296 19.4081 103.759 206.936 -71.6814 73.4154 248.08 PRESSAVG: 3351200 -31.164 30.8505 -13.4759 30.8505 0.292255 -8.58538 -13.4759 -8.58528 3.55986 GPRESSAVG: 3351200 -32.4295 29.0871 -14.7611 33.5719 -0.0644665 -8.94583 -13.3918 -8.05473 5.52345 TIMING: 3351200 CPU: 10586, 0.00317705/step Wall: 10586, 0.00317705/step, 1.45509 hours remaining, 234.996094 MB of memory in use. ENERGY: 3351200 3900.7742 20444.4517 14475.9620 232.9756 -203364.8934 2552.7861 0.0000 0.0000 52275.5730 -109482.3708 300.4284 -161757.9438 -109104.6141 298.2804 192.2553 226.0544 762027.1518 -9.1040 -8.9902 PRESSURE: 3351400 98.6238 -29.3196 277.83 -29.3196 270.139 170.744 277.83 170.744 -213.473 GPRESSURE: 3351400 227.726 -74.7401 234.456 -7.24722 323.261 156.932 230.285 132.019 -292.731 PRESSAVG: 3351400 33.4289 25.7516 15.3968 25.7515 24.2533 29.9412 15.3967 29.9413 13.9992 GPRESSAVG: 3351400 33.7915 27.9922 16.3525 24.0421 24.635 29.3619 14.5851 30.3163 13.0251 TIMING: 3351400 CPU: 10586.6, 0.00317254/step Wall: 10586.6, 0.00317254/step, 1.45285 hours remaining, 234.996094 MB of memory in use. ENERGY: 3351400 4009.4744 20343.7966 14560.0961 252.7802 -203485.7919 2734.6139 0.0000 0.0000 52135.5190 -109449.5118 299.6235 -161585.0307 -109082.4738 298.7732 51.7633 86.0853 761113.8964 23.8938 23.8172 PRESSURE: 3351600 -52.7789 152.439 -126.309 152.439 -155.764 -185.528 -126.309 -185.529 -253.706 GPRESSURE: 3351600 -55.9286 190.897 -142.485 73.882 -92.5077 -214.706 -8.23766 -144.53 -232.767 PRESSAVG: 3351600 -47.3156 -15.5499 3.42051 -15.5498 60.7073 -9.02977 3.4205 -9.02985 -11.4646 GPRESSAVG: 3351600 -45.8224 -15.6506 2.49737 -16.1824 59.2149 -8.88507 2.53925 -8.90037 -12.0541 TIMING: 3351600 CPU: 10587.3, 0.00317132/step Wall: 10587.3, 0.00317132/step, 1.45211 hours remaining, 234.996094 MB of memory in use. ENERGY: 3351600 3968.1300 20520.0017 14539.8607 272.7004 -203421.9436 2733.6232 0.0000 0.0000 51877.6978 -109509.9299 298.1418 -161387.6276 -109148.3077 299.1918 -154.0829 -127.0678 763119.4167 0.6424 0.4461 PRESSURE: 3351800 374.005 139.815 -1.76883 139.815 73.7643 43.9444 -1.77051 43.9443 352.761 GPRESSURE: 3351800 336.221 -14.8867 -32.2166 -58.6007 173.905 45.6087 -49.5675 130.47 359.456 PRESSAVG: 3351800 -25.6155 -13.2565 -5.5281 -13.2565 47.054 32.2691 -5.52812 32.269 -6.52929 GPRESSAVG: 3351800 -27.1369 -14.2509 -4.13366 -14.3702 48.9875 32.4706 -4.52924 30.9156 -6.51826 TIMING: 3351800 CPU: 10587.9, 0.00314291/step Wall: 10587.9, 0.00314291/step, 1.43893 hours remaining, 234.996094 MB of memory in use. ENERGY: 3351800 3999.1765 20334.0916 14448.0731 243.3981 -203560.9708 2738.0590 0.0000 0.0000 52234.8718 -109563.3006 300.1945 -161798.1724 -109202.5411 299.1785 266.8434 289.8608 760759.5517 4.9697 5.1108 PRESSURE: 3352000 84.1608 -103.63 -52.8962 -103.63 206.298 131.776 -52.8963 131.776 426.699 GPRESSURE: 3352000 148.884 22.8387 -31.1281 -47.3368 181.37 92.0839 -95.925 84.3309 453.231 PRESSAVG: 3352000 3.3592 -44.4989 -3.76196 -44.4989 2.34177 38.4216 -3.76195 38.4216 -3.63726 GPRESSAVG: 3352000 3.00168 -43.5733 -4.06923 -42.6538 1.4886 39.7056 -4.5343 40.268 -2.40389 TIMING: 3352000 CPU: 10588.5, 0.00317655/step Wall: 10588.5, 0.00317655/step, 1.45415 hours remaining, 234.996094 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: 3352000 3876.9817 20476.3635 14511.0078 257.7778 -203800.7269 2912.5797 0.0000 0.0000 52145.7130 -109620.3034 299.6821 -161766.0165 -109246.9430 299.2282 239.0527 261.1618 759883.1993 0.6879 0.6955 PRESSURE: 3352200 -79.9327 72.7889 -18.401 72.789 -97.0494 -52.8383 -18.4009 -52.8387 20.7654 GPRESSURE: 3352200 -15.8775 120.415 -93.4515 81.0465 -87.5439 -101.225 3.29055 61.6618 13.1116 PRESSAVG: 3352200 16.1315 -15.8092 -35.2806 -15.8091 -5.62482 42.3599 -35.2805 42.3599 -18.8518 GPRESSAVG: 3352200 16.0879 -16.7724 -36.084 -16.7815 -4.97938 39.886 -33.7752 40.1524 -19.3702 TIMING: 3352200 CPU: 10589.1, 0.00315906/step Wall: 10589.1, 0.00315906/step, 1.44597 hours remaining, 234.996094 MB of memory in use. ENERGY: 3352200 3986.3245 20566.6909 14543.4763 249.0356 -203278.6263 2510.3930 0.0000 0.0000 51951.4888 -109471.2173 298.5659 -161422.7061 -109115.7881 298.8792 -52.0722 -30.1033 761920.4800 -2.7817 -2.7539 LDB: ============= START OF LOAD BALANCING ============== 10601.7 LDB: ============== END OF LOAD BALANCING =============== 10601.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10601.7 LDB: ============= START OF LOAD BALANCING ============== 10602 LDB: Largest compute 7075 load 0.030410 is 15.5% of average load 0.195714 LDB: Average compute 0.004348 is 2.2% of average load 0.195714 LDB: TIME 10602 LOAD: AVG 0.195714 MAX 0.21518 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.309 MB LDB: TIME 10602 LOAD: AVG 0.195714 MAX 0.21518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.309 MB LDB: TIME 10602 LOAD: AVG 0.195714 MAX 0.21518 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.309 MB LDB: ============== END OF LOAD BALANCING =============== 10602 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10602 PRESSURE: 3352400 -40.2806 -220.448 57.8242 -220.447 22.3411 231.418 57.8248 231.418 35.1007 GPRESSURE: 3352400 -62.2765 -194.076 45.1343 -151.976 69.9657 203.642 48.578 200.387 103.434 PRESSAVG: 3352400 12.8739 -37.4355 -4.53634 -37.4355 1.99241 14.0109 -4.53633 14.0109 4.01553 GPRESSAVG: 3352400 13.8451 -36.8005 -3.80856 -38.0912 0.481004 12.8742 -5.82974 17.4277 4.58981 TIMING: 3352400 CPU: 10589.8, 0.00324869/step Wall: 10589.8, 0.00324869/step, 1.48682 hours remaining, 238.785156 MB of memory in use. ENERGY: 3352400 3879.3535 20569.3600 14439.7996 247.7231 -203232.8032 2518.8285 0.0000 0.0000 52132.2295 -109445.5089 299.6046 -161577.7385 -109074.3129 298.9898 5.7204 37.0410 761898.0207 6.2940 6.3053 PRESSURE: 3352600 258.61 -84.6563 -166.163 -84.6569 -69.5351 -18.2228 -166.163 -18.2222 -35.1672 GPRESSURE: 3352600 228.342 -84.8483 -166.056 -118.192 9.78845 21.541 -88.3569 -17.0882 -5.19428 PRESSAVG: 3352600 -44.316 18.289 9.17357 18.2889 25.1538 -16.3243 9.17354 -16.3244 -1.57071 GPRESSAVG: 3352600 -44.3249 17.6773 8.63522 20.1342 26.2704 -14.8896 8.38712 -18.0737 -2.76528 TIMING: 3352600 CPU: 10590.4, 0.00316603/step Wall: 10590.4, 0.00316603/step, 1.44881 hours remaining, 239.058594 MB of memory in use. ENERGY: 3352600 3986.6975 20343.1874 14561.9437 242.2804 -203353.7541 2619.8597 0.0000 0.0000 52151.3775 -109448.4079 299.7147 -161599.7855 -109088.7057 299.1594 51.3027 77.6455 760720.2076 -6.9110 -6.9399 PRESSURE: 3352800 -81.3607 107.91 -45.8901 107.91 -291.133 52.7766 -45.8899 52.7756 -388.581 GPRESSURE: 3352800 -32.6345 132.783 -134.638 52.9487 -221.93 -43.328 67.2477 203.269 -421.799 PRESSAVG: 3352800 -30.8722 37.4017 62.6197 37.4018 27.8422 5.9435 62.6197 5.94353 9.71704 GPRESSAVG: 3352800 -31.2313 38.2096 61.8435 36.8022 26.9121 6.44782 62.6209 6.02726 11.2178 TIMING: 3352800 CPU: 10591.1, 0.00319125/step Wall: 10591.1, 0.00319124/step, 1.46017 hours remaining, 239.058594 MB of memory in use. ENERGY: 3352800 4110.1290 20501.8015 14471.5415 235.8608 -203253.1815 2504.0893 0.0000 0.0000 51926.1990 -109503.5605 298.4206 -161429.7595 -109150.7941 299.2357 -253.6914 -225.4547 760152.7324 2.2290 2.2995 PRESSURE: 3353000 -13.3121 103.486 -199.494 103.486 -11.327 92.2425 -199.494 92.2419 58.357 GPRESSURE: 3353000 8.73122 122.044 -210.162 62.551 27.8055 69.4366 -107.685 163.839 71.0062 PRESSAVG: 3353000 13.9444 59.4128 -3.93031 59.4128 -19.2984 84.1986 -3.93033 84.1987 -9.60076 GPRESSAVG: 3353000 14.1903 59.5047 -2.9098 60.4159 -19.4121 83.8364 -3.03835 83.4528 -9.93165 TIMING: 3353000 CPU: 10591.7, 0.00321366/step Wall: 10591.7, 0.00321366/step, 1.47025 hours remaining, 239.058594 MB of memory in use. ENERGY: 3353000 3948.3292 20432.1074 14477.9417 248.7474 -203216.4448 2629.0642 0.0000 0.0000 51978.6289 -109501.6260 298.7219 -161480.2549 -109139.0072 299.1535 11.2393 35.8476 761821.0837 -4.9849 -5.0511 PRESSURE: 3353200 -304.685 102.428 125.281 102.429 0.181239 133.854 125.281 133.855 -318.67 GPRESSURE: 3353200 -183.143 25.2617 63.0205 20.9387 -57.261 104.469 77.9364 131.511 -280.74 PRESSAVG: 3353200 73.3432 28.988 19.0667 28.988 42.5612 47.7034 19.0667 47.7034 20.6034 GPRESSAVG: 3353200 73.6573 27.2297 20.5622 27.4031 42.9097 48.9782 19.3512 49.2189 19.5144 TIMING: 3353200 CPU: 10592.3, 0.00318886/step Wall: 10592.3, 0.00318885/step, 1.45872 hours remaining, 239.058594 MB of memory in use. ENERGY: 3353200 4115.1384 20470.8225 14418.6430 237.4431 -203437.6452 2677.3368 0.0000 0.0000 52043.3281 -109474.9334 299.0937 -161518.2615 -109108.9915 299.2257 -207.7246 -173.7146 760454.3145 45.5026 45.3605 PRESSURE: 3353400 -445.627 -84.7424 309.415 -84.7424 262.182 115.145 309.414 115.146 -51.4705 GPRESSURE: 3353400 -266.924 -124.823 304.408 -106.385 119.327 165.832 227.385 7.98908 8.65096 PRESSAVG: 3353400 -9.21573 -3.72999 48.4974 -3.72993 -10.8369 -0.744194 48.4973 -0.74411 7.31696 GPRESSAVG: 3353400 -8.9119 -1.57505 47.5314 -3.65225 -10.5862 -2.65791 48.6017 -0.994014 6.91993 TIMING: 3353400 CPU: 10593, 0.00318055/step Wall: 10593, 0.00318055/step, 1.45475 hours remaining, 239.058594 MB of memory in use. ENERGY: 3353400 4043.8105 20400.0542 14426.0942 248.6581 -203318.1493 2661.9640 0.0000 0.0000 51937.0361 -109600.5322 298.4829 -161537.5683 -109243.7846 298.7394 -78.3050 -46.3154 761784.1043 -4.2452 -4.1927 PRESSURE: 3353600 249.145 146.768 -90.8937 146.768 77.3098 -113.111 -90.8931 -113.111 -427.123 GPRESSURE: 3353600 253.947 168.892 -46.2798 136.61 143.066 -40.4673 -104.524 -91.7365 -417.69 PRESSAVG: 3353600 -53.8987 7.18107 8.32689 7.18106 98.2494 14.4684 8.32687 14.4684 -26.028 GPRESSAVG: 3353600 -54.3673 5.94437 8.36767 6.2674 98.7201 15.5666 5.57053 13.904 -26.2658 TIMING: 3353600 CPU: 10593.6, 0.00315974/step Wall: 10593.6, 0.00315974/step, 1.44505 hours remaining, 239.140625 MB of memory in use. ENERGY: 3353600 3995.6466 20516.1043 14472.0599 238.4137 -203513.1373 2747.9824 0.0000 0.0000 51733.5461 -109809.3842 297.3134 -161542.9304 -109456.8395 298.9399 -33.5562 -6.8922 760210.0176 6.1076 6.0290 PRESSURE: 3353800 -247.677 -57.7905 -266.766 -57.7907 113.305 4.81015 -266.765 4.80989 377.631 GPRESSURE: 3353800 -94.5585 -26.9679 -305.338 -36.7348 92.0118 -14.6515 -138.486 -10.4851 323.384 PRESSAVG: 3353800 -0.0118935 11.7104 14.8302 11.7104 -26.9408 79.0765 14.8303 79.0765 9.1963 GPRESSAVG: 3353800 -0.232183 12.8451 14.3003 13.3039 -27.9917 79.1144 17.4156 77.9429 10.7294 TIMING: 3353800 CPU: 10594.2, 0.00316505/step Wall: 10594.2, 0.00316505/step, 1.44731 hours remaining, 239.140625 MB of memory in use. ENERGY: 3353800 3977.7121 20472.2826 14517.5313 277.4640 -203240.9288 2790.4510 0.0000 0.0000 51782.0435 -109423.4443 297.5921 -161205.4877 -109072.4190 298.9185 81.0863 106.9458 762578.1726 -5.9188 -5.8315 PRESSURE: 3354000 -66.8522 88.3499 -202.834 88.3501 244.712 -82.8215 -202.836 -82.8231 -121.014 GPRESSURE: 3354000 0.583823 30.7688 -178.906 13.238 260.751 -78.0816 -220.183 -196.727 -134.141 PRESSAVG: 3354000 -37.3226 26.7636 8.69586 26.7635 40.4369 2.91914 8.69582 2.91914 -7.62608 GPRESSAVG: 3354000 -36.663 26.9719 9.75946 25.0998 40.8079 2.03047 6.33498 3.36932 -8.19341 TIMING: 3354000 CPU: 10594.9, 0.00315728/step Wall: 10594.9, 0.00315728/step, 1.44358 hours remaining, 239.140625 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: 3354000 4027.3824 20492.3735 14438.9903 261.3084 -203610.2830 2843.8386 0.0000 0.0000 52056.6553 -109489.7344 299.1703 -161546.3897 -109115.9369 298.7762 18.9483 42.3978 760283.4020 -1.5039 -1.3495 PRESSURE: 3354200 -43.1744 -21.3461 58.7421 -21.3452 190.359 345.723 58.7415 345.722 239.965 GPRESSURE: 3354200 -116.397 -41.3636 -29.1733 -73.9289 249.11 269.367 117.248 317.534 344.61 PRESSAVG: 3354200 -83.561 11.4819 17.2147 11.4819 72.4792 19.2919 17.2147 19.2919 3.50715 GPRESSAVG: 3354200 -84.0002 10.0169 14.8332 12.9624 72.9422 19.0334 20.9011 20.1399 3.57213 TIMING: 3354200 CPU: 10595.5, 0.00318783/step Wall: 10595.5, 0.00318783/step, 1.45737 hours remaining, 239.285156 MB of memory in use. ENERGY: 3354200 3946.2635 20236.7968 14483.3202 247.4106 -202962.0591 2498.3703 0.0000 0.0000 52051.7778 -109498.1198 299.1423 -161549.8976 -109130.4807 298.8165 129.0500 159.1076 761339.5515 -2.5249 -2.4953 PRESSURE: 3354400 -136.258 -23.586 34.7594 -23.5855 -116.926 38.9717 34.7592 38.9706 389.402 GPRESSURE: 3354400 -115.549 -110.767 119.408 -10.6158 21.7348 -17.0673 -53.8882 109.68 306.929 PRESSAVG: 3354400 -25.2209 22.972 61.9063 22.972 29.7396 -8.53958 61.9063 -8.53962 6.40887 GPRESSAVG: 3354400 -25.1141 23.286 63.3079 22.1226 30.4125 -8.8139 61.1776 -10.035 5.50499 TIMING: 3354400 CPU: 10596.2, 0.00319213/step Wall: 10596.2, 0.00319213/step, 1.45916 hours remaining, 239.296875 MB of memory in use. ENERGY: 3354400 3917.7228 20414.7902 14437.5434 247.5555 -203432.0419 2792.2006 0.0000 0.0000 52054.4550 -109567.7743 299.1577 -161622.2293 -109198.4013 299.1846 45.4059 71.0384 761411.7777 3.6425 3.6011 PRESSURE: 3354600 -267.398 27.7132 21.9833 27.7132 -231.446 -49.5455 21.9828 -49.5459 48.8972 GPRESSURE: 3354600 -240.077 72.4452 85.3217 91.1118 -192.928 -34.5974 16.2341 -136.886 71.9966 PRESSAVG: 3354600 -47.4274 37.7146 20.2613 37.7145 40.8024 5.43054 20.2612 5.43055 2.45884 GPRESSAVG: 3354600 -46.8289 38.1368 20.7319 37.9078 40.3785 7.3533 18.6841 7.2647 3.19362 TIMING: 3354600 CPU: 10596.8, 0.00315738/step Wall: 10596.8, 0.00315738/step, 1.4431 hours remaining, 239.296875 MB of memory in use. ENERGY: 3354600 3996.0691 20509.7123 14544.4043 233.5509 -203800.4819 2892.9899 0.0000 0.0000 51957.5539 -109666.2013 298.6008 -161623.7552 -109311.2043 298.9975 -149.9822 -120.3363 762762.2843 -1.3887 -1.0856 PRESSURE: 3354800 -64.6637 -287.163 161.246 -287.163 375.239 147.211 161.246 147.211 -128.497 GPRESSURE: 3354800 10.85 -171.514 172.01 -269.748 270.397 183.044 111.339 49.3862 -37.6055 PRESSAVG: 3354800 -43.2336 -43.6194 41.2975 -43.6194 69.7295 -12.6867 41.2976 -12.6868 1.74429 GPRESSAVG: 3354800 -43.5895 -44.8439 40.656 -44.2042 68.5232 -12.1423 40.9537 -14.4577 2.63426 TIMING: 3354800 CPU: 10597.4, 0.00316226/step Wall: 10597.4, 0.00316226/step, 1.44515 hours remaining, 239.296875 MB of memory in use. ENERGY: 3354800 4028.8040 20349.4226 14509.5869 243.0055 -203448.8634 2683.5888 0.0000 0.0000 51904.3315 -109730.1240 298.2949 -161634.4555 -109365.4679 298.5805 60.6929 81.2139 761393.8863 9.4134 9.1893 PRESSURE: 3355000 222.391 -87.4623 -110.917 -87.4626 0.535017 216.973 -110.918 216.973 -121.586 GPRESSURE: 3355000 213.44 -124.971 -127.979 -48.1608 50.093 222.758 -56.9253 228.628 -121.347 PRESSAVG: 3355000 -45.6511 65.5795 60.8931 65.5794 29.562 8.80575 60.8931 8.80575 -25.536 GPRESSAVG: 3355000 -45.6807 67.8175 61.498 64.2802 29.8978 8.08033 62.2492 10.631 -25.8017 TIMING: 3355000 CPU: 10598.1, 0.00318849/step Wall: 10598.1, 0.00318849/step, 1.45696 hours remaining, 239.296875 MB of memory in use. ENERGY: 3355000 3970.2070 20511.6884 14548.4572 259.9883 -203702.2789 2938.0184 0.0000 0.0000 52102.1746 -109371.7450 299.4319 -161473.9195 -109004.0770 298.3106 33.7798 47.3952 763501.0939 -13.8750 -13.8615 PRESSURE: 3355200 265.328 -170.677 -64.7666 -170.678 -14.0061 -221.824 -64.7664 -221.825 113.292 GPRESSURE: 3355200 180.372 -77.4832 -66.1397 -199.353 100.701 -234.671 28.9898 -385.848 152.573 PRESSAVG: 3355200 -14.7115 43.2676 6.75027 43.2676 5.96437 -23.2938 6.75022 -23.2937 32.2794 GPRESSAVG: 3355200 -14.4083 41.8152 5.41028 44.6956 7.05507 -24.1191 10.0859 -23.3594 31.0816 TIMING: 3355200 CPU: 10598.7, 0.00316448/step Wall: 10598.7, 0.00316448/step, 1.44582 hours remaining, 239.296875 MB of memory in use. ENERGY: 3355200 4045.1917 20638.0480 14507.5516 245.3739 -203680.3815 3135.4896 0.0000 0.0000 51944.8456 -109163.8810 298.5277 -161108.7266 -108804.5734 299.2145 121.5378 144.5484 763158.0954 7.8441 7.9095 PRESSURE: 3355400 -134.844 36.0999 143.683 36.1008 37.7183 -26.8489 143.684 -26.8491 -264.431 GPRESSURE: 3355400 -15.9754 58.7686 185.353 93.9567 15.0103 -34.0778 163.339 -7.56586 -292.215 PRESSAVG: 3355400 -16.4424 52.3808 0.282936 52.3808 0.259975 -12.1186 0.283014 -12.1187 2.87073 GPRESSAVG: 3355400 -17.2422 54.4871 1.64587 52.569 0.127003 -12.5897 -3.46771 -13.5003 3.99029 TIMING: 3355400 CPU: 10599.3, 0.00321101/step Wall: 10599.3, 0.00321101/step, 1.4669 hours remaining, 239.296875 MB of memory in use. ENERGY: 3355400 3987.8170 20523.9960 14458.2295 253.4075 -202996.2843 2516.1085 0.0000 0.0000 52169.4525 -109087.2733 299.8186 -161256.7258 -108730.2398 299.9159 -120.5188 -97.7267 762267.0280 -4.4372 -4.3750 PRESSURE: 3355600 -51.9429 -76.1505 296.088 -76.1511 -43.8506 214.405 296.088 214.406 101.719 GPRESSURE: 3355600 -5.72016 -165.484 269.228 -156.217 -16.8787 251.421 100.093 178.476 130.152 PRESSAVG: 3355600 46.3973 -24.5769 59.923 -24.5768 -9.79684 14.55 59.923 14.5501 -5.15373 GPRESSAVG: 3355600 47.4976 -24.3348 59.5395 -23.9305 -10.4557 14.807 59.008 15.7559 -5.90069 TIMING: 3355600 CPU: 10600, 0.00317691/step Wall: 10600, 0.00317691/step, 1.45114 hours remaining, 239.296875 MB of memory in use. ENERGY: 3355600 4016.6591 20574.2171 14504.7173 242.9099 -203075.5249 2526.7323 0.0000 0.0000 52084.0838 -109126.2053 299.3279 -161210.2891 -108762.6915 299.7654 1.9753 35.8511 761173.8952 10.4823 10.3804 PRESSURE: 3355800 259.636 -73.1111 140.803 -73.1101 421.044 -153.765 140.803 -153.765 383.561 GPRESSURE: 3355800 355.091 -89.4964 133.081 -36.7769 400.982 -57.9705 129.638 -139.005 397.547 PRESSAVG: 3355800 -67.0497 -5.11859 41.1392 -5.11868 39.4647 -28.8336 41.1392 -28.8335 0.614923 GPRESSAVG: 3355800 -68.77 -5.16298 41.6574 -8.62363 40.5831 -27.5712 42.5224 -27.5759 1.1598 TIMING: 3355800 CPU: 10600.6, 0.00317044/step Wall: 10600.6, 0.00317044/step, 1.44801 hours remaining, 239.296875 MB of memory in use. ENERGY: 3355800 3960.3898 20420.7009 14421.0544 241.5103 -203053.7384 2742.9991 0.0000 0.0000 52167.7091 -109099.3747 299.8085 -161267.0838 -108736.4711 299.7829 354.7469 384.5398 762962.0307 -8.9900 -9.0090 PRESSURE: 3356000 -299.799 -205.214 -33.9666 -205.214 -288.583 -24.2327 -33.9675 -24.233 -101.654 GPRESSURE: 3356000 -226.7 -230.178 -63.548 -138.397 -323.965 80.5573 -79.145 -68.7053 -44.9841 PRESSAVG: 3356000 -29.3821 -42.6495 34.2307 -42.6495 80.3019 16.045 34.2306 16.0451 -12.1222 GPRESSAVG: 3356000 -28.3587 -45.1999 33.845 -40.8769 80.1169 13.8518 34.1552 15.4646 -12.3892 TIMING: 3356000 CPU: 10601.2, 0.00315966/step Wall: 10601.2, 0.00315966/step, 1.44291 hours remaining, 239.296875 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: 3356000 3893.9639 20469.5390 14482.7214 256.5852 -203350.6483 2560.0475 0.0000 0.0000 52151.4085 -109536.3829 299.7149 -161687.7914 -109173.5796 299.3217 -230.0122 -198.5496 762744.0873 12.9325 13.1230 PRESSURE: 3356200 -315.008 -119.491 131.162 -119.492 -456.401 -14.1001 131.162 -14.1007 -18.3121 GPRESSURE: 3356200 -295.484 -133.47 104.977 -203.265 -350.646 -28.8441 164.991 173.784 -54.9867 PRESSAVG: 3356200 -35.0321 0.829647 18.6009 0.82957 18.3797 -17.8961 18.601 -17.8961 8.62742 GPRESSAVG: 3356200 -33.8028 3.83848 18.1809 0.915665 18.3445 -17.6576 19.1382 -16.8681 6.95958 TIMING: 3356200 CPU: 10601.9, 0.00319721/step Wall: 10601.9, 0.00319721/step, 1.45988 hours remaining, 239.296875 MB of memory in use. ENERGY: 3356200 3983.9185 20405.8975 14558.5834 235.3629 -202832.4486 2304.5946 0.0000 0.0000 51811.5974 -109532.4944 297.7620 -161344.0918 -109176.3591 298.8158 -263.2405 -233.7057 763565.6886 -2.6750 -2.8329 LDB: ============= START OF LOAD BALANCING ============== 10614.4 LDB: ============== END OF LOAD BALANCING =============== 10614.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10614.4 LDB: ============= START OF LOAD BALANCING ============== 10614.7 LDB: Largest compute 7034 load 0.031585 is 16.1% of average load 0.195582 LDB: Average compute 0.004364 is 2.2% of average load 0.195582 LDB: TIME 10614.7 LOAD: AVG 0.195582 MAX 0.214102 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.699 MB LDB: TIME 10614.7 LOAD: AVG 0.195582 MAX 0.214102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: TIME 10614.7 LOAD: AVG 0.195582 MAX 0.214102 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.699 MB LDB: ============== END OF LOAD BALANCING =============== 10614.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10614.7 PRESSURE: 3356400 157.031 230.545 229.994 230.545 97.352 -23.6549 229.993 -23.6554 38.5283 GPRESSURE: 3356400 168.592 210.794 159.975 236.878 142.389 -130.005 189.27 59.9701 72.6898 PRESSAVG: 3356400 10.5092 -40.5414 -26.2597 -40.5415 7.52368 -20.6574 -26.2597 -20.6574 -3.00237 GPRESSAVG: 3356400 8.55223 -40.9561 -26.3741 -38.9712 8.05831 -19.344 -27.5682 -21.7043 -1.72127 TIMING: 3356400 CPU: 10602.5, 0.0032485/step Wall: 10602.5, 0.0032485/step, 1.48312 hours remaining, 235.652344 MB of memory in use. ENERGY: 3356400 3973.8545 20444.9011 14442.4266 241.3024 -203126.5666 2470.9029 0.0000 0.0000 52390.3298 -109162.8493 301.0879 -161553.1790 -108820.1393 298.3223 97.6370 127.8901 764113.9830 5.0102 4.9631 PRESSURE: 3356600 213.258 -39.0404 18.9426 -39.0397 156.61 301.337 18.9429 301.337 -333.138 GPRESSURE: 3356600 168.817 -17.9832 61.1034 -7.42163 253.637 260.22 -8.85082 259.027 -286.028 PRESSAVG: 3356600 -44.3108 -34.594 2.91546 -34.5941 11.6758 -26.2532 2.91547 -26.2532 -10.365 GPRESSAVG: 3356600 -43.0395 -33.9531 4.17103 -34.099 10.6799 -26.5995 1.28137 -27.2964 -10.53 TIMING: 3356600 CPU: 10603.2, 0.0031814/step Wall: 10603.2, 0.0031814/step, 1.45231 hours remaining, 235.652344 MB of memory in use. ENERGY: 3356600 4050.1628 20403.0135 14487.2138 238.3770 -203401.3009 2835.6162 0.0000 0.0000 52197.0706 -109189.8471 299.9773 -161386.9177 -108830.8967 299.2679 12.2436 45.4752 762841.9675 -14.3333 -14.2965 PRESSURE: 3356800 23.9492 2.65927 99.0486 2.66047 331.103 39.0075 99.048 39.0082 16.1182 GPRESSURE: 3356800 95.0104 -30.2818 120.731 -4.48659 377.376 117.938 148.417 52.2337 -4.55646 PRESSAVG: 3356800 -55.8493 -16.8727 -29.7846 -16.8728 60 48.0513 -29.7846 48.0514 -3.89241 GPRESSAVG: 3356800 -56.8451 -20.039 -30.5147 -15.4179 60.8414 48.1898 -26.8074 48.6105 -3.84235 TIMING: 3356800 CPU: 10603.8, 0.00317417/step Wall: 10603.8, 0.00317417/step, 1.44883 hours remaining, 235.652344 MB of memory in use. ENERGY: 3356800 4060.7878 20391.0682 14466.2563 228.1169 -203122.0213 2779.9675 0.0000 0.0000 51902.9811 -109292.8436 298.2871 -161195.8246 -108931.3006 299.4887 123.7236 155.9434 761599.7407 0.0861 0.0513 PRESSURE: 3357000 -194.878 25.9143 -131.096 25.9141 76.812 -117.54 -131.095 -117.541 242.157 GPRESSURE: 3357000 -55.8782 -24.0757 -81.6922 60.8907 57.5372 -0.839128 -136.438 -45.6607 196.428 PRESSAVG: 3357000 -18.5126 -41.0661 -4.21292 -41.066 19.1562 22.2993 -4.21289 22.2994 -6.60695 GPRESSAVG: 3357000 -18.9447 -38.0066 -3.26806 -44.7009 19.3303 22.329 -5.81054 23.5137 -6.42095 TIMING: 3357000 CPU: 10604.4, 0.00319473/step Wall: 10604.4, 0.00319473/step, 1.45804 hours remaining, 235.652344 MB of memory in use. ENERGY: 3357000 3917.5214 20456.2644 14515.7933 256.9975 -202630.7262 2390.5318 0.0000 0.0000 51772.3134 -109321.3044 297.5362 -161093.6179 -108963.3012 299.5526 41.3638 66.0289 762105.0884 -1.9878 -2.0118 PRESSURE: 3357200 -146.183 -240.95 198.456 -240.95 92.5881 -323.092 198.455 -323.091 -142.293 GPRESSURE: 3357200 -141.257 -102.289 172.268 -286.436 179.836 -230.214 60.9679 -243.928 -147.168 PRESSAVG: 3357200 58.7407 -0.501412 -10.7184 -0.501438 -21.985 -17.951 -10.7183 -17.951 14.0539 GPRESSAVG: 3357200 59.9581 -2.09614 -13.3856 -0.840126 -22.1642 -18.0611 -9.21993 -19.9527 12.7641 TIMING: 3357200 CPU: 10605.1, 0.00321811/step Wall: 10605.1, 0.00321811/step, 1.46853 hours remaining, 235.652344 MB of memory in use. ENERGY: 3357200 3942.6467 20493.6743 14443.4697 251.4068 -203044.4923 2509.4638 0.0000 0.0000 52248.5820 -109155.2490 300.2733 -161403.8310 -108793.9945 299.8678 -65.2957 -36.1962 761053.3152 16.9365 16.8527 PRESSURE: 3357400 -33.2593 -6.48418 -81.1686 -6.48378 -31.7745 130.671 -81.1684 130.671 -30.0369 GPRESSURE: 3357400 -56.3301 8.41894 -103.708 3.92959 31.6773 181.477 -97.6918 -11.7421 11.1563 PRESSAVG: 3357400 57.6732 -36.2992 25.3449 -36.2992 -78.4342 0.653559 25.3449 0.653581 15.9788 GPRESSAVG: 3357400 56.6419 -35.409 26.9923 -35.9612 -77.8711 -0.690849 22.6337 2.70706 16.9243 TIMING: 3357400 CPU: 10605.7, 0.00318594/step Wall: 10605.7, 0.00318594/step, 1.45367 hours remaining, 235.652344 MB of memory in use. ENERGY: 3357400 4005.9106 20614.3195 14486.4272 248.3225 -202730.9038 2127.8552 0.0000 0.0000 51954.0327 -109294.0361 298.5805 -161248.0688 -108923.6762 299.8738 -31.6903 -4.4988 760676.4661 -1.5941 -1.4350 PRESSURE: 3357600 -96.0503 -67.8615 -31.0432 -67.8617 349.203 -81.8343 -31.0437 -81.8356 132.458 GPRESSURE: 3357600 -37.6868 -170.265 33.847 -7.7902 336.411 -78.1688 135.205 -67.6623 169.458 PRESSAVG: 3357600 -4.85049 -20.8897 48.7098 -20.8898 -7.95272 44.5421 48.7098 44.5421 -26.7211 GPRESSAVG: 3357600 -5.0538 -21.0691 48.5795 -21.91 -7.91692 47.1444 51.8001 45.828 -26.3851 TIMING: 3357600 CPU: 10606.4, 0.003184/step Wall: 10606.4, 0.003184/step, 1.45261 hours remaining, 235.652344 MB of memory in use. ENERGY: 3357600 4066.9670 20449.4430 14463.1184 239.7387 -203336.7339 2642.0220 0.0000 0.0000 51985.8221 -109489.6225 298.7632 -161475.4447 -109134.5019 299.2080 128.5367 156.0609 759600.5377 -13.1748 -13.1186 PRESSURE: 3357800 123.002 108.268 5.47044 108.268 -6.86081 -287.555 5.46983 -287.556 -22.3495 GPRESSURE: 3357800 116.871 169.616 48.3793 48.4678 81.8859 -213.931 -30.2505 -168.094 -28.9294 PRESSAVG: 3357800 15.4829 -27.6424 -24.7519 -27.6424 40.9976 -8.3924 -24.7519 -8.39244 -11.4035 GPRESSAVG: 3357800 15.9793 -27.5626 -25.3562 -25.7857 39.8229 -9.99647 -26.3079 -11.0073 -11.1771 TIMING: 3357800 CPU: 10607, 0.00318346/step Wall: 10607, 0.00318346/step, 1.45219 hours remaining, 235.652344 MB of memory in use. ENERGY: 3357800 3981.6786 20665.9863 14458.2032 258.9511 -203290.6749 2490.3046 0.0000 0.0000 51806.6678 -109628.8833 297.7336 -161435.5511 -109280.8833 299.4171 31.2640 56.6092 759321.3488 15.0257 14.8750 PRESSURE: 3358000 -69.9733 252.024 -148.8 252.024 119.485 -188.623 -148.8 -188.622 213.103 GPRESSURE: 3358000 32.7624 174.987 -103.422 196.302 135.967 -51.0852 -239.547 -111.485 182.356 PRESSAVG: 3358000 16.5964 -37.9571 -5.67591 -37.9571 -48.4588 -22.3954 -5.67586 -22.3954 3.57652 GPRESSAVG: 3358000 16.6685 -37.3007 -5.69797 -38.7939 -47.2582 -21.5357 -3.2797 -21.8551 2.9845 TIMING: 3358000 CPU: 10607.6, 0.00320422/step Wall: 10607.6, 0.00320422/step, 1.46148 hours remaining, 235.652344 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: 3358000 3952.3535 20489.6163 14499.1806 247.0940 -203412.5993 2552.6458 0.0000 0.0000 52031.6938 -109640.0151 299.0269 -161671.7090 -109274.2649 298.5451 87.5380 117.0286 760367.5409 -9.4286 -9.2017 PRESSURE: 3358200 -158.688 267.055 115.276 267.056 42.6506 -88.3005 115.276 -88.3011 97.7001 GPRESSURE: 3358200 -102.483 258.245 58.6459 160.967 6.35356 -91.0458 89.6358 42.5555 153.162 PRESSAVG: 3358200 -18.3639 -67.3315 24.3233 -67.3315 35.386 5.14217 24.3233 5.14225 -9.52801 GPRESSAVG: 3358200 -17.6652 -68.8795 26.9414 -67.2703 33.5746 3.06854 20.6057 7.42813 -8.54066 TIMING: 3358200 CPU: 10608.3, 0.00319879/step Wall: 10608.3, 0.00319879/step, 1.45882 hours remaining, 235.652344 MB of memory in use. ENERGY: 3358200 3900.6656 20476.2256 14550.5270 258.2765 -203669.4980 2628.3707 0.0000 0.0000 52238.3436 -109617.0889 300.2145 -161855.4326 -109260.0505 299.0959 -6.1123 19.0108 758849.0993 2.4980 2.4562 PRESSURE: 3358400 -185.645 -90.5422 -32.4863 -90.5416 204.544 151.906 -32.4859 151.907 60.0261 GPRESSURE: 3358400 -141.355 -155.7 10.2589 42.1882 187.193 194.66 -40.2906 47.8201 124.79 PRESSAVG: 3358400 -26.2295 -33.588 10.3934 -33.588 68.4751 10.0003 10.3933 10.0003 -14.7043 GPRESSAVG: 3358400 -27.3362 -33.9033 9.25432 -32.6197 70.4401 10.7194 11.3221 7.39003 -15.3186 TIMING: 3358400 CPU: 10608.9, 0.00318507/step Wall: 10608.9, 0.00318507/step, 1.45239 hours remaining, 235.652344 MB of memory in use. ENERGY: 3358400 3936.8952 20499.8954 14566.5539 234.2368 -203478.9603 2495.9443 0.0000 0.0000 51943.4434 -109801.9912 298.5197 -161745.4347 -109442.6083 299.1631 26.3083 56.8760 760924.8072 9.1804 9.2618 PRESSURE: 3358600 256.349 269.15 202.965 269.15 -206.862 -210.109 202.965 -210.109 320.131 GPRESSURE: 3358600 163.745 282.078 240.271 171.127 -78.5522 -243.398 144.471 -180.296 362.057 PRESSAVG: 3358600 -16.872 -21.0917 66.1669 -21.0918 -5.5713 -3.46033 66.167 -3.4604 23.9712 GPRESSAVG: 3358600 -17.5559 -20.5698 65.4697 -22.1711 -5.41202 -4.27445 67.1207 -2.95884 24.9134 TIMING: 3358600 CPU: 10609.5, 0.00321494/step Wall: 10609.5, 0.00321494/step, 1.46583 hours remaining, 235.652344 MB of memory in use. ENERGY: 3358600 3960.8418 20526.5453 14448.5744 284.2623 -203713.6278 2667.4692 0.0000 0.0000 51918.6353 -109907.2994 298.3771 -161825.9347 -109555.5936 298.2444 123.2060 149.0830 760646.7047 0.5093 0.6485 PRESSURE: 3358800 121.807 -76.6 -46.6388 -76.5992 387.159 168.717 -46.6392 168.716 79.2147 GPRESSURE: 3358800 206.352 -130.769 -81.8877 5.40933 353.486 185.668 99.3478 212.985 101.625 PRESSAVG: 3358800 5.19563 -6.77788 11.392 -6.7779 -28.5683 26.1409 11.392 26.1408 7.48078 GPRESSAVG: 3358800 6.01166 -6.78926 12.6367 -4.40367 -28.4167 25.317 9.53837 25.0658 6.14139 TIMING: 3358800 CPU: 10610.2, 0.00321182/step Wall: 10610.2, 0.00321182/step, 1.46423 hours remaining, 235.652344 MB of memory in use. ENERGY: 3358800 4039.1687 20447.1113 14373.7036 266.0010 -204027.7288 2950.0607 0.0000 0.0000 52083.8657 -109867.8177 299.3267 -161951.6834 -109506.9796 298.2238 196.0603 220.4877 759856.5726 -5.2973 -5.4212 PRESSURE: 3359000 -29.1241 -13.8638 -91.6308 -13.8638 74.5499 151.783 -91.6304 151.783 -160.269 GPRESSURE: 3359000 0.00865145 -83.9403 -114.855 -167 111.249 163.933 -123.042 107.29 -148.575 PRESSAVG: 3359000 -23.1807 -53.8024 26.5538 -53.8024 40.1363 11.4288 26.5538 11.4288 -9.57042 GPRESSAVG: 3359000 -23.3125 -53.4415 25.7052 -57.2786 40.398 13.1973 27.3411 12.0653 -9.3003 TIMING: 3359000 CPU: 10610.8, 0.00317529/step Wall: 10610.8, 0.00317529/step, 1.4474 hours remaining, 235.652344 MB of memory in use. ENERGY: 3359000 4122.0476 20421.3380 14426.9628 236.9514 -203090.9385 2128.1154 0.0000 0.0000 51767.5329 -109987.9903 297.5087 -161755.5232 -109626.7036 298.4301 -38.2810 -12.4390 761061.8639 2.4617 2.5951 PRESSURE: 3359200 114.731 108.15 -47.2531 108.151 -0.736229 -66.0896 -47.2526 -66.0895 -92.8896 GPRESSURE: 3359200 123.904 -0.919147 -49.3903 152.43 172.539 -154.565 -0.162601 -55.899 -190.106 PRESSAVG: 3359200 44.8561 -34.6854 8.75473 -34.6854 -9.17903 -27.6456 8.75471 -27.6456 -11.0628 GPRESSAVG: 3359200 45.6839 -33.3592 9.27888 -33.7666 -9.51995 -27.9585 9.65443 -28.4999 -12.5176 TIMING: 3359200 CPU: 10611.5, 0.00318236/step Wall: 10611.5, 0.00318236/step, 1.45045 hours remaining, 235.652344 MB of memory in use. ENERGY: 3359200 3979.3080 20507.0410 14480.1522 274.9479 -203204.7210 2183.3179 0.0000 0.0000 51649.2926 -110130.6614 296.8292 -161779.9540 -109770.9045 298.2167 7.0349 35.4458 759934.2597 8.2048 7.8821 PRESSURE: 3359400 247.578 227.529 219.362 227.529 -21.2029 287.672 219.363 287.672 102.085 GPRESSURE: 3359400 266.348 237.491 239.845 52.2293 -12.251 238.303 182.082 208.275 163.243 PRESSAVG: 3359400 -23.3862 36.2926 38.6161 36.2925 24.184 -1.95756 38.6162 -1.95755 -4.30118 GPRESSAVG: 3359400 -23.5654 34.8736 37.8327 35.9592 23.7395 -0.889238 37.992 0.045212 -3.33304 TIMING: 3359400 CPU: 10612.1, 0.00318422/step Wall: 10612.1, 0.00318422/step, 1.45112 hours remaining, 235.652344 MB of memory in use. ENERGY: 3359400 3935.6536 20331.7244 14441.2178 242.7022 -203273.4182 2457.7117 0.0000 0.0000 51741.6073 -110122.8012 297.3597 -161864.4086 -109760.3342 297.8570 109.4866 139.1133 761213.1861 -1.1678 -1.0530 PRESSURE: 3359600 -159.922 52.0907 -98.8668 52.0908 -80.2719 139.541 -98.8681 139.542 81.071 GPRESSURE: 3359600 -13.5478 9.91281 -76.2586 138.177 -124.166 187.565 -120.224 149.542 67.5921 PRESSAVG: 3359600 -18.133 -10.0353 30.2307 -10.0353 1.6195 -6.40514 30.2307 -6.40518 40.5287 GPRESSAVG: 3359600 -18.9195 -9.49328 29.2492 -8.55967 2.22827 -8.93453 32.0649 -7.60937 40.8627 TIMING: 3359600 CPU: 10612.7, 0.00317244/step Wall: 10612.7, 0.00317244/step, 1.44558 hours remaining, 235.652344 MB of memory in use. ENERGY: 3359600 3954.9171 20329.0137 14410.6545 245.3109 -203030.2869 2274.9591 0.0000 0.0000 51598.7298 -110216.7019 296.5386 -161815.4317 -109856.0707 297.0743 -53.0410 -23.3739 760952.4805 8.0051 8.0571 PRESSURE: 3359800 -8.56795 50.9776 -142.578 50.9776 -296.236 -208.215 -142.578 -208.216 402.06 GPRESSURE: 3359800 51.9302 -115.401 -148.963 45.3235 -211.3 -239.467 -90.9704 -237.025 344.351 PRESSAVG: 3359800 -24.8005 45.8678 -42.7649 45.8678 22.9049 -30.7075 -42.7649 -30.7076 3.28485 GPRESSAVG: 3359800 -24.7485 43.6183 -41.0601 46.1234 22.4474 -30.0635 -43.6259 -30.4088 3.95473 TIMING: 3359800 CPU: 10613.4, 0.0031845/step Wall: 10613.4, 0.0031845/step, 1.45089 hours remaining, 235.652344 MB of memory in use. ENERGY: 3359800 3964.4626 20306.2691 14438.5935 234.7309 -203754.6023 2778.2603 0.0000 0.0000 51794.0447 -110238.2412 297.6611 -162032.2860 -109877.4800 297.6395 32.4189 61.6603 759898.1408 0.4631 0.5512 PRESSURE: 3360000 244.025 175.959 -50.9531 175.959 88.1929 135.088 -50.9526 135.089 71.1057 GPRESSURE: 3360000 289.673 157.297 -52.6598 150.707 56.6722 173.835 -19.6815 211.177 156.389 PRESSAVG: 3360000 33.2756 -33.9661 8.93344 -33.9661 -52.7157 44.6067 8.93343 44.6067 -12.6699 GPRESSAVG: 3360000 33.671 -32.0903 10.0641 -36.6256 -52.0376 46.3434 8.0513 46.4688 -13.5001 TIMING: 3360000 CPU: 10614, 0.00315848/step Wall: 10614, 0.00315848/step, 1.43886 hours remaining, 235.652344 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: 3360000 3947.2376 20376.6899 14536.1613 250.4863 -203903.2107 2619.1921 0.0000 0.0000 51937.5645 -110235.8790 298.4859 -162173.4435 -109879.6415 297.6343 134.4410 167.5781 759536.3808 -10.7033 -10.6222 PRESSURE: 3360200 -53.1859 9.20473 278.949 9.20507 198.216 81.4338 278.949 81.4327 -183.156 GPRESSURE: 3360200 28.6101 59.6271 222.804 66.5914 219.23 34.0189 152.613 68.3067 -197.312 PRESSAVG: 3360200 4.10765 -40.9966 -9.95246 -40.9966 -32.0925 55.7457 -9.95249 55.7456 16.6888 GPRESSAVG: 3360200 3.77856 -41.273 -10.1355 -41.3728 -31.4438 54.1322 -11.159 53.9271 16.6024 TIMING: 3360200 CPU: 10614.6, 0.00316816/step Wall: 10614.6, 0.00316816/step, 1.4431 hours remaining, 235.652344 MB of memory in use. ENERGY: 3360200 3945.8575 20350.3103 14474.5325 254.1719 -203622.2234 2632.2063 0.0000 0.0000 51943.7494 -110021.3957 298.5214 -161965.1450 -109668.7468 297.5808 -12.7087 16.8427 761153.0722 -3.7653 -3.6876 LDB: ============= START OF LOAD BALANCING ============== 10627.2 LDB: ============== END OF LOAD BALANCING =============== 10627.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10627.2 LDB: ============= START OF LOAD BALANCING ============== 10627.5 LDB: Largest compute 7034 load 0.032677 is 16.7% of average load 0.195641 LDB: Average compute 0.004387 is 2.2% of average load 0.195641 LDB: TIME 10627.5 LOAD: AVG 0.195641 MAX 0.214466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 10627.5 LOAD: AVG 0.195641 MAX 0.214466 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: TIME 10627.5 LOAD: AVG 0.195641 MAX 0.214466 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.914 MB LDB: ============== END OF LOAD BALANCING =============== 10627.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10627.5 PRESSURE: 3360400 178.601 104.705 -94.3856 104.705 322.738 76.0197 -94.3858 76.0204 -53.7482 GPRESSURE: 3360400 226.096 86.6364 -71.1816 -65.0355 361.074 78.2102 -139.492 191.721 -52.499 PRESSAVG: 3360400 43.5834 10.7776 8.0596 10.7777 -28.9845 29.2721 8.05958 29.2721 -14.6245 GPRESSAVG: 3360400 45.038 9.64149 5.84763 12.4503 -30.8089 29.1814 9.03168 30.2355 -13.8043 TIMING: 3360400 CPU: 10615.3, 0.00326992/step Wall: 10615.3, 0.00326992/step, 1.48927 hours remaining, 234.738281 MB of memory in use. ENERGY: 3360400 3898.8442 20444.8629 14505.4103 232.9284 -203733.1627 2773.5952 0.0000 0.0000 51860.8058 -110016.7159 298.0448 -161877.5217 -109656.0187 297.9390 149.1971 178.2237 761462.2329 -0.0085 0.1416 PRESSURE: 3360600 59.4217 66.3245 17.0463 66.324 -139.021 221.469 17.0458 221.469 -100.815 GPRESSURE: 3360600 60.6402 128.858 113.521 120.399 -74.3764 264.361 51.6332 154.425 -83.7972 PRESSAVG: 3360600 20.7922 8.26947 8.91462 8.26948 -60.6718 75.5042 8.9146 75.5042 17.9809 GPRESSAVG: 3360600 19.5202 9.29067 9.16085 7.20999 -59.3316 75.9733 10.6025 77.7557 17.5417 TIMING: 3360600 CPU: 10615.9, 0.00318702/step Wall: 10615.9, 0.00318702/step, 1.45133 hours remaining, 234.882812 MB of memory in use. ENERGY: 3360600 4018.3590 20281.1971 14505.4476 260.0970 -203380.6860 2543.7752 0.0000 0.0000 51782.9836 -109988.8265 297.5975 -161771.8101 -109627.7243 298.2369 -60.1380 -32.5111 762397.4312 -7.2996 -7.4232 PRESSURE: 3360800 -192.779 49.191 229.53 49.1912 -58.434 -93.1552 229.53 -93.1542 -87.5047 GPRESSURE: 3360800 -99.4229 -116.218 147.636 57.5758 -19.4315 -24.5254 151.618 -182.879 -141.682 PRESSAVG: 3360800 17.005 0.909186 -15.5072 0.909199 -10.7569 -15.5671 -15.5071 -15.5672 5.35102 GPRESSAVG: 3360800 17.2461 1.23878 -14.9539 1.89919 -10.6156 -16.1326 -16.7804 -17.3918 4.87072 TIMING: 3360800 CPU: 10616.6, 0.00318949/step Wall: 10616.6, 0.00318949/step, 1.45228 hours remaining, 234.882812 MB of memory in use. ENERGY: 3360800 3965.7744 20484.7886 14553.1785 244.0712 -203606.1781 2495.4946 0.0000 0.0000 51970.9543 -109891.9166 298.6778 -161862.8709 -109531.3719 298.4385 -112.9059 -86.8454 761152.5528 3.8664 3.8337 PRESSURE: 3361000 4.3428 37.051 -35.4847 37.0526 -371.101 21.7557 -35.4847 21.7553 -201.85 GPRESSURE: 3361000 76.1835 62.5608 -11.3981 -66.2639 -343.879 49.662 -8.54322 22.3713 -214.996 PRESSAVG: 3361000 36.7422 -29.9209 10.8242 -29.9209 -42.4452 27.0793 10.8241 27.0793 28.9592 GPRESSAVG: 3361000 37.335 -29.1888 12.028 -30.7945 -43.0144 28.3144 11.5823 27.2455 28.6831 TIMING: 3361000 CPU: 10617.2, 0.00316668/step Wall: 10617.2, 0.00316668/step, 1.44172 hours remaining, 235.085938 MB of memory in use. ENERGY: 3361000 3959.2880 20436.2274 14499.0533 248.2323 -203128.9285 2247.7580 0.0000 0.0000 51815.2267 -109923.1428 297.7828 -161738.3696 -109561.9735 298.4208 -189.5362 -160.8971 762843.7276 7.7521 7.6679 PRESSURE: 3361200 32.2678 47.1773 -172.042 47.1773 -37.9919 69.7085 -172.042 69.7088 -164.4 GPRESSURE: 3361200 94.8734 -44.738 -175.756 62.4127 -44.7984 -18.1496 -188.637 55.1476 -138.883 PRESSAVG: 3361200 44.1924 10.5205 18.8056 10.5205 -43.2917 13.3888 18.8056 13.3889 7.16355 GPRESSAVG: 3361200 44.1908 9.6344 17.4722 11.736 -43.7572 13.445 19.3109 13.1619 7.59368 TIMING: 3361200 CPU: 10617.8, 0.00316591/step Wall: 10617.8, 0.00316591/step, 1.44119 hours remaining, 235.085938 MB of memory in use. ENERGY: 3361200 3971.2249 20487.6228 14579.4580 252.4383 -203504.4323 2334.3190 0.0000 0.0000 52009.7783 -109869.5909 298.9009 -161879.3692 -109511.9600 298.0500 -56.7080 -29.6026 761927.9982 2.6881 2.6758 PRESSURE: 3361400 -271.482 189.446 18.407 189.445 -106.337 77.5944 18.4065 77.5939 20.0318 GPRESSURE: 3361400 -239.084 336.55 -71.7475 69.511 -109.28 60.2721 1.1198 100.397 57.1289 PRESSAVG: 3361400 -12.6544 -54.7797 12.2472 -54.7798 19.4035 -14.81 12.2473 -14.8099 -12.1101 GPRESSAVG: 3361400 -13.4372 -55.743 11.3017 -54.1283 20.1607 -14.8961 13.7169 -14.2665 -12.1662 TIMING: 3361400 CPU: 10618.5, 0.00319045/step Wall: 10618.5, 0.00319046/step, 1.45219 hours remaining, 235.085938 MB of memory in use. ENERGY: 3361400 3929.6375 20445.9853 14455.2534 252.3097 -202920.7520 2034.5961 0.0000 0.0000 51916.1276 -109886.8424 298.3627 -161802.9700 -109526.4584 298.3639 -119.2624 -97.0784 762359.1850 -1.7870 -1.8143 PRESSURE: 3361600 105.377 -357.828 48.7267 -357.828 117.111 -31.4589 48.7273 -31.4586 -241.412 GPRESSURE: 3361600 178.979 -211.822 -33.4218 -226.247 106.073 -81.7747 5.18148 -102.84 -226.041 PRESSAVG: 3361600 31.4343 -23.713 16.1332 -23.713 -25.7435 -67.3521 16.1331 -67.3521 -6.42464 GPRESSAVG: 3361600 32.3149 -23.0324 17.6902 -23.8476 -26.1634 -66.9117 11.2513 -68.8375 -6.81262 TIMING: 3361600 CPU: 10619.1, 0.00316439/step Wall: 10619.1, 0.00316439/step, 1.44015 hours remaining, 235.085938 MB of memory in use. ENERGY: 3361600 3953.1257 20237.1740 14461.3518 260.8981 -204043.8463 2946.4590 0.0000 0.0000 52169.3019 -110015.5358 299.8177 -162184.8377 -109650.5987 298.3033 -6.3079 19.6704 762828.8577 -0.2446 -0.2204 PRESSURE: 3361800 75.1165 54.4547 245.831 54.4546 -121.201 68.4174 245.83 68.4178 46.4493 GPRESSURE: 3361800 24.1783 -23.794 164.005 72.6402 19.6621 74.0318 90.2915 239.597 37.1677 PRESSAVG: 3361800 -68.0875 -46.2903 32.3752 -46.2902 51.9308 12.1088 32.3751 12.1087 -11.3209 GPRESSAVG: 3361800 -69.2936 -47.0488 32.7951 -46.7714 52.7991 11.3537 34.8993 12.3302 -10.841 TIMING: 3361800 CPU: 10619.7, 0.003159/step Wall: 10619.7, 0.003159/step, 1.43752 hours remaining, 235.085938 MB of memory in use. ENERGY: 3361800 4012.8623 20498.1114 14526.7543 246.0817 -203636.3208 2674.1305 0.0000 0.0000 51689.1944 -109989.1861 297.0585 -161678.3805 -109640.6772 298.0488 0.1215 27.0027 761351.7149 -9.1592 -9.1118 PRESSURE: 3362000 -295.441 -128.604 -13.3727 -128.603 -100.263 8.75086 -13.3725 8.75036 237.745 GPRESSURE: 3362000 -195.685 -141.411 -40.3573 -28.4502 -74.8866 -12.3169 -1.14038 37.7088 193.701 PRESSAVG: 3362000 -41.5889 -17.1073 48.7633 -17.1073 20.6052 10.6048 48.7633 10.6049 -17.4032 GPRESSAVG: 3362000 -40.2506 -18.3001 49.341 -16.4453 19.8529 9.95957 47.9512 10.1607 -18.2714 TIMING: 3362000 CPU: 10620.4, 0.00318976/step Wall: 10620.4, 0.00318976/step, 1.45134 hours remaining, 235.085938 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: 3362000 3920.0735 20331.5301 14527.4145 243.7775 -203266.8050 2500.8177 0.0000 0.0000 51779.9998 -109963.1920 297.5804 -161743.1918 -109596.1828 297.8215 -52.6530 -25.6236 764268.8584 -12.7956 -12.8897 PRESSURE: 3362200 369.428 -45.1803 127.858 -45.1802 195.577 -56.2641 127.858 -56.2652 258.428 GPRESSURE: 3362200 337.886 -12.5268 -3.19247 -147.52 271.209 58.7318 201.726 -16.2268 297.955 PRESSAVG: 3362200 2.78915 -19.3021 31.0072 -19.3022 8.89768 14.8196 31.0073 14.8196 -6.43948 GPRESSAVG: 3362200 2.71527 -18.4233 30.3746 -20.4692 9.10885 16.1626 32.1497 15.8951 -6.40741 TIMING: 3362200 CPU: 10621, 0.00318988/step Wall: 10621, 0.00318988/step, 1.45122 hours remaining, 235.085938 MB of memory in use. ENERGY: 3362200 3937.0895 20483.1537 14486.6932 241.0260 -203797.7179 2754.3211 0.0000 0.0000 51972.8877 -109922.5467 298.6889 -161895.4344 -109551.7620 297.6980 274.4777 302.3498 759391.4895 1.7491 1.8056 PRESSURE: 3362400 -37.352 43.8969 1.9956 43.8965 -48.2236 54.1682 1.99534 54.1692 -214.384 GPRESSURE: 3362400 -46.4686 59.6377 -57.4264 -76.4894 19.517 42.8183 -10.4736 71.5135 -185.008 PRESSAVG: 3362400 -22.1668 -33.8328 -12.8779 -33.8328 14.32 -14.5117 -12.878 -14.5116 -3.32408 GPRESSAVG: 3362400 -23.4271 -32.999 -11.1027 -33.859 14.4579 -14.7266 -13.8313 -15.4221 -2.07371 TIMING: 3362400 CPU: 10621.6, 0.00319019/step Wall: 10621.6, 0.00319019/step, 1.45118 hours remaining, 235.085938 MB of memory in use. ENERGY: 3362400 3968.7731 20389.6288 14447.4576 253.9611 -203510.6070 2657.0321 0.0000 0.0000 52129.7476 -109664.0067 299.5904 -161793.7542 -109298.1381 298.1644 -99.9866 -70.6532 761553.5143 -3.7236 -3.6810 PRESSURE: 3362600 -141.404 -217.941 3.25571 -217.941 102.491 91.6758 3.25576 91.6754 785.323 GPRESSURE: 3362600 -88.9926 -226.85 71.8779 -252.231 169.73 29.7277 -196.622 75.5766 729.525 PRESSAVG: 3362600 -102.565 -43.3309 30.2419 -43.331 83.3274 30.008 30.2419 30.008 18.0267 GPRESSAVG: 3362600 -102.113 -44.8031 29.6113 -42.193 84.3589 29.86 30.7927 30.0808 16.3087 TIMING: 3362600 CPU: 10622.3, 0.00317915/step Wall: 10622.3, 0.00317915/step, 1.44598 hours remaining, 235.085938 MB of memory in use. ENERGY: 3362600 3895.0748 20582.0466 14440.3143 241.1941 -203233.1767 2572.2270 0.0000 0.0000 51758.4236 -109743.8963 297.4564 -161502.3199 -109381.7701 298.6287 248.8033 270.0878 762570.5008 -0.4035 -0.4818 PRESSURE: 3362800 161.162 121.919 118.038 121.918 -24.1037 258.564 118.039 258.565 249.812 GPRESSURE: 3362800 228.735 188.619 69.1711 78.3642 -0.596726 211.569 100.428 283.942 241.576 PRESSAVG: 3362800 -9.14934 -46.8748 -7.91069 -46.8748 35.3975 -35.1803 -7.9107 -35.1804 15.0337 GPRESSAVG: 3362800 -9.26761 -45.5422 -9.3865 -49.8947 34.2305 -34.4611 -8.67342 -36.4423 16.2003 TIMING: 3362800 CPU: 10622.9, 0.00315712/step Wall: 10622.9, 0.00315712/step, 1.43579 hours remaining, 235.085938 MB of memory in use. ENERGY: 3362800 3966.5305 20626.3464 14434.6958 242.8546 -203220.0776 2394.2672 0.0000 0.0000 51900.8390 -109654.5442 298.2748 -161555.3832 -109297.3214 298.2418 128.9570 156.5713 760631.6519 13.7606 13.7210 PRESSURE: 3363000 237.49 -98.651 -40.8245 -98.6506 -212.1 -24.8424 -40.8252 -24.8409 149.376 GPRESSURE: 3363000 228.389 -165.228 -54.1688 -91.1224 -139.014 22.4129 -49.1829 -73.2655 181.718 PRESSAVG: 3363000 31.7195 -31.2133 32.9725 -31.2132 -14.2303 -17.4414 32.9724 -17.4413 6.08285 GPRESSAVG: 3363000 31.5148 -30.5943 33.1405 -29.5562 -14.7759 -17.1749 33.4405 -17.0614 6.36359 TIMING: 3363000 CPU: 10623.6, 0.00317896/step Wall: 10623.6, 0.00317896/step, 1.44554 hours remaining, 235.085938 MB of memory in use. ENERGY: 3363000 4010.3682 20394.9553 14487.4554 250.8159 -203250.0256 2552.9951 0.0000 0.0000 51908.5146 -109644.9211 298.3189 -161553.4357 -109282.2000 298.2628 58.2553 90.3642 761283.3375 7.8573 7.7009 PRESSURE: 3363200 -28.4486 99.9304 36.0242 99.9303 1.23863 139.82 36.0237 139.821 176.524 GPRESSURE: 3363200 120.747 142.477 24.2212 -71.5315 -12.5561 44.4133 37.5647 77.124 144.054 PRESSAVG: 3363200 -37.6116 -0.259772 -2.9493 -0.259801 18.6497 13.5559 -2.94924 13.5558 11.707 GPRESSAVG: 3363200 -36.1391 -1.8686 -3.30055 -0.258439 18.7676 11.6604 -0.833719 12.8036 11.1206 TIMING: 3363200 CPU: 10624.2, 0.00319142/step Wall: 10624.2, 0.00319142/step, 1.45103 hours remaining, 235.085938 MB of memory in use. ENERGY: 3363200 3889.6058 20371.2465 14398.2113 256.5453 -203373.7465 2527.1125 0.0000 0.0000 52237.6228 -109693.4024 300.2103 -161931.0252 -109329.3841 299.1472 49.7715 84.0819 761464.3687 -2.4183 -2.0836 PRESSURE: 3363400 -43.0533 -200.838 249.945 -200.838 -153.955 39.7569 249.946 39.7576 107.201 GPRESSURE: 3363400 -66.4498 -91.6673 195.966 -74.2824 -37.7104 62.0402 214.943 110.196 114.317 PRESSAVG: 3363400 -20.0691 -9.03215 25.9598 -9.03216 34.5182 17.5239 25.9598 17.5238 13.42 GPRESSAVG: 3363400 -21.3013 -8.45271 27.3478 -8.94139 35.6798 18.4061 23.6165 18.8626 13.0095 TIMING: 3363400 CPU: 10624.8, 0.00319525/step Wall: 10624.8, 0.00319525/step, 1.4526 hours remaining, 235.085938 MB of memory in use. ENERGY: 3363400 3876.2590 20355.1737 14492.0719 242.8433 -202832.9976 2376.1585 0.0000 0.0000 52021.5267 -109468.9645 298.9684 -161490.4912 -109107.4935 299.0991 -29.9356 3.3856 761457.0617 9.2897 9.1293 PRESSURE: 3363600 325.568 -195.304 -108.625 -195.305 136.021 -49.1427 -108.625 -49.1423 122.732 GPRESSURE: 3363600 272.741 -87.9054 -132.571 -94.4568 216.122 -100.871 -109.042 -106.088 187.725 PRESSAVG: 3363600 -4.05127 -30.6058 45.5414 -30.6058 -0.890964 18.0597 45.5414 18.0596 10.6804 GPRESSAVG: 3363600 -4.16967 -31.4059 44.1114 -30.3237 -2.85841 18.8075 46.3836 17.7769 12.1699 TIMING: 3363600 CPU: 10625.5, 0.00320022/step Wall: 10625.5, 0.00320022/step, 1.45468 hours remaining, 235.085938 MB of memory in use. ENERGY: 3363600 4050.5177 20480.7730 14476.9116 245.8113 -203098.2743 2533.5326 0.0000 0.0000 51753.8358 -109556.8923 297.4300 -161310.7281 -109209.7610 298.9614 194.7736 225.5296 760401.1897 1.9127 1.7139 PRESSURE: 3363800 -125.422 -251.856 -123.877 -251.856 -184.621 89.5793 -123.877 89.5798 -15.1155 GPRESSURE: 3363800 29.5474 -309.278 -157.616 -276.357 -125.396 5.0863 -189.457 29.4966 -138.453 PRESSAVG: 3363800 39.7524 4.68323 -17.6762 4.68326 -17.1224 1.68669 -17.6761 1.68665 0.0771975 GPRESSAVG: 3363800 39.9144 3.55162 -16.8832 5.08263 -15.6926 1.89977 -18.9792 1.2811 -1.51279 TIMING: 3363800 CPU: 10626.1, 0.00316351/step Wall: 10626.1, 0.00316351/step, 1.43782 hours remaining, 235.085938 MB of memory in use. ENERGY: 3363800 4046.4155 20349.6683 14460.2229 240.0515 -203184.2018 2454.4427 0.0000 0.0000 52123.2001 -109510.2009 299.5527 -161633.4010 -109144.1312 298.8561 -108.3862 -78.1006 760969.9551 7.5691 7.5697 PRESSURE: 3364000 76.2362 -160.723 -144.376 -160.723 -12.6456 -101.64 -144.376 -101.639 49.5979 GPRESSURE: 3364000 57.8369 -223.46 -108.292 -105.865 64.7974 -102.327 37.2165 5.01025 64.0255 PRESSAVG: 3364000 -39.0483 -32.4973 55.6879 -32.4972 36.4743 -17.8236 55.6879 -17.8236 -23.0891 GPRESSAVG: 3364000 -39.2457 -33.0499 55.9219 -30.5758 36.6522 -18.2088 55.4148 -16.4262 -22.936 TIMING: 3364000 CPU: 10626.7, 0.00319398/step Wall: 10626.7, 0.00319398/step, 1.45149 hours remaining, 235.085938 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: 3364000 3947.2327 20241.6799 14552.4714 258.8050 -203601.8513 3004.7609 0.0000 0.0000 52127.9426 -109468.9588 299.5800 -161596.9014 -109107.6335 299.1250 37.7295 62.2199 762295.1468 -8.5544 -8.5098 PRESSURE: 3364200 -143.628 -38.001 175.14 -38.0016 -16.368 -68.4224 175.14 -68.4219 -73.5337 GPRESSURE: 3364200 -34.8742 -47.3458 78.8495 -127.535 -43.1492 -104.495 149.777 -72.6176 -90.5855 PRESSAVG: 3364200 -36.5674 -80.4929 8.35573 -80.4929 26.9937 -2.33934 8.35573 -2.3394 16.2692 GPRESSAVG: 3364200 -36.2325 -79.5453 7.91978 -82.5945 26.2926 -3.24864 12.6074 -5.20009 16.7305 TIMING: 3364200 CPU: 10627.4, 0.00320659/step Wall: 10627.4, 0.00320659/step, 1.45704 hours remaining, 235.085938 MB of memory in use. ENERGY: 3364200 3955.4377 20456.0501 14466.0535 257.0151 -203341.7679 2552.0044 0.0000 0.0000 52268.6357 -109386.5714 300.3886 -161655.2071 -109021.5086 298.9614 -77.8433 -56.2030 761504.7915 2.2318 2.2635 LDB: ============= START OF LOAD BALANCING ============== 10639.9 LDB: ============== END OF LOAD BALANCING =============== 10639.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10639.9 LDB: ============= START OF LOAD BALANCING ============== 10640.2 LDB: Largest compute 7034 load 0.032724 is 16.7% of average load 0.195651 LDB: Average compute 0.004378 is 2.2% of average load 0.195651 LDB: TIME 10640.2 LOAD: AVG 0.195651 MAX 0.213001 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 10640.2 LOAD: AVG 0.195651 MAX 0.213001 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: TIME 10640.2 LOAD: AVG 0.195651 MAX 0.213001 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: ============== END OF LOAD BALANCING =============== 10640.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10640.3 PRESSURE: 3364400 -286.671 55.521 188.085 55.5209 112.399 96.2035 188.085 96.2046 -199.837 GPRESSURE: 3364400 -166.864 106.222 174.054 67.4089 59.2043 122.46 162.025 107.29 -186.803 PRESSAVG: 3364400 -38.17 -44.3115 56.478 -44.3115 12.6134 13.5887 56.478 13.5887 31.4636 GPRESSAVG: 3364400 -38.2379 -42.2283 56.3958 -45.4139 12.0844 14.8353 51.6512 14.4972 32.2983 TIMING: 3364400 CPU: 10628, 0.0032689/step Wall: 10628, 0.0032689/step, 1.48517 hours remaining, 235.394531 MB of memory in use. ENERGY: 3364400 3959.4052 20463.3131 14499.4926 251.5638 -203134.3474 2628.8717 0.0000 0.0000 52055.2748 -109276.4262 299.1624 -161331.7009 -108906.0330 299.5035 -124.7030 -98.1543 762971.3611 1.9690 2.0483 PRESSURE: 3364600 -252.052 97.7436 -86.8178 97.7447 -238.45 -217.411 -86.818 -217.411 -518.032 GPRESSURE: 3364600 -273.904 193.926 -4.51239 -47.0883 -211.414 -273.222 -24.777 -231.734 -433.294 PRESSAVG: 3364600 60.4183 -20.2122 38.5812 -20.2121 -27.2681 -2.03148 38.5813 -2.03157 1.68692 GPRESSAVG: 3364600 60.7223 -19.0768 37.7823 -18.4651 -27.6812 -2.06375 39.6094 -4.17246 1.29288 TIMING: 3364600 CPU: 10628.7, 0.00320077/step Wall: 10628.7, 0.00320077/step, 1.45404 hours remaining, 235.617188 MB of memory in use. ENERGY: 3364600 4033.0938 20361.8265 14596.9071 238.8886 -203220.4873 2417.2635 0.0000 0.0000 52170.5880 -109401.9198 299.8251 -161572.5078 -109039.2905 299.4453 -336.1781 -306.2036 761742.7474 11.6124 11.4447 PRESSURE: 3364800 -56.7819 -248.358 -80.1024 -248.358 -118.265 -6.98003 -80.102 -6.98035 364.804 GPRESSURE: 3364800 -83.4956 -101.851 -52.0414 -98.4223 7.76798 -4.39103 -117.308 46.2122 354.378 PRESSAVG: 3364800 -41.009 -11.0235 -16.783 -11.0235 37.318 -24.5481 -16.7829 -24.5481 -7.07121 GPRESSAVG: 3364800 -42.2365 -12.9042 -14.169 -11.3471 39.1503 -25.6403 -15.1959 -21.8763 -8.49191 TIMING: 3364800 CPU: 10629.3, 0.00319732/step Wall: 10629.3, 0.00319732/step, 1.45229 hours remaining, 235.855469 MB of memory in use. ENERGY: 3364800 3971.1881 20448.1304 14465.7659 258.0054 -203066.0863 2441.8962 0.0000 0.0000 51897.2472 -109583.8531 298.2542 -161481.1002 -109224.5864 298.6932 63.2523 92.8834 762740.6333 -3.5874 -3.8593 PRESSURE: 3365000 419.937 -72.3412 -38.9809 -72.341 508.905 -103.961 -38.981 -103.961 182.909 GPRESSURE: 3365000 473.994 5.78234 56.6646 -7.95429 493.684 -120.056 -102.406 -44.6705 252.289 PRESSAVG: 3365000 -33.9684 -31.5666 -11.4435 -31.5666 17.5031 -19.8169 -11.4435 -19.817 -8.15397 GPRESSAVG: 3365000 -33.38 -31.1219 -12.6203 -30.4024 17.4237 -20.6615 -11.92 -18.8734 -7.92557 TIMING: 3365000 CPU: 10630, 0.00319646/step Wall: 10630, 0.00319646/step, 1.45172 hours remaining, 235.890625 MB of memory in use. ENERGY: 3365000 3936.4658 20426.4146 14476.8143 246.0485 -203750.3845 3050.3771 0.0000 0.0000 51937.5322 -109676.7321 298.4857 -161614.2643 -109316.3490 298.6162 370.5834 406.6559 760971.0894 -8.2064 -7.9606 PRESSURE: 3365200 221.768 4.37436 57.1923 4.37323 139.275 -2.41787 57.1926 -2.41766 -4.00787 GPRESSURE: 3365200 274.403 -5.37997 -47.3528 -36.5415 100.242 -47.1276 116.77 54.2164 70.9552 PRESSAVG: 3365200 9.19523 -36.366 13.7421 -36.366 38.1873 -14.0755 13.742 -14.0755 -5.7097 GPRESSAVG: 3365200 8.99528 -36.8974 14.2066 -37.6724 37.8697 -12.2406 11.8492 -14.4958 -5.58952 TIMING: 3365200 CPU: 10630.6, 0.00320748/step Wall: 10630.6, 0.00320748/step, 1.45655 hours remaining, 235.890625 MB of memory in use. ENERGY: 3365200 3905.8802 20448.1183 14437.2120 259.9173 -203792.5400 2991.4531 0.0000 0.0000 52242.2664 -109507.6928 300.2370 -161749.9593 -109136.3746 298.8091 119.0116 148.5333 760898.2270 13.8909 13.7585 PRESSURE: 3365400 -8.36776 45.8277 -27.9902 45.8271 369.422 -146.188 -27.99 -146.187 156.509 GPRESSURE: 3365400 28.1049 34.0785 -86.4175 15.1862 388.873 -108.621 -162.978 -234.273 192.993 PRESSAVG: 3365400 -10.7048 -21.2066 -3.51382 -21.2066 23.1646 -21.2193 -3.51382 -21.2193 1.39129 GPRESSAVG: 3365400 -11.5863 -20.2702 -4.61321 -22.5134 23.7283 -21.9644 -2.63738 -22.1693 2.2041 TIMING: 3365400 CPU: 10631.2, 0.00320835/step Wall: 10631.2, 0.00320835/step, 1.45677 hours remaining, 235.890625 MB of memory in use. ENERGY: 3365400 3993.5923 20419.0363 14560.5056 255.0256 -203336.5147 2983.9958 0.0000 0.0000 51907.7005 -109216.6586 298.3143 -161124.3592 -108851.8957 299.0249 172.5211 203.3235 761652.8587 4.6170 4.7820 PRESSURE: 3365600 1.25177 68.9804 -128.483 68.9797 -130.512 13.5179 -128.483 13.5174 95.9932 GPRESSURE: 3365600 89.2501 173.669 -89.5275 111.011 -136.236 74.1137 -174.654 -52.2694 103.596 PRESSAVG: 3365600 5.57286 27.3686 15.445 27.3686 -3.31104 -6.97237 15.445 -6.97238 1.692 GPRESSAVG: 3365600 7.16498 26.4117 16.0748 27.7237 -3.48591 -6.38886 15.1932 -6.31655 0.296611 TIMING: 3365600 CPU: 10631.9, 0.00320462/step Wall: 10631.9, 0.00320462/step, 1.4549 hours remaining, 235.890625 MB of memory in use. ENERGY: 3365600 3941.7364 20557.6808 14497.2881 256.0209 -203203.6666 2690.6155 0.0000 0.0000 51968.8443 -109291.4806 298.6657 -161260.3249 -108925.6170 299.5963 -11.0891 18.8701 761632.0114 1.3179 1.3252 PRESSURE: 3365800 -288.689 89.701 200.906 89.7013 -266.449 -65.7686 200.907 -65.7696 -77.5616 GPRESSURE: 3365800 -258.285 -20.0337 69.229 28.6922 -289.346 -57.9279 180.959 -26.2479 -28.5184 PRESSAVG: 3365800 15.992 -16.2288 30.2598 -16.2289 -9.62035 -14.0163 30.2599 -14.0164 -14.8 GPRESSAVG: 3365800 15.3723 -17.517 29.8645 -15.5648 -10.7805 -14.5315 30.4621 -12.8703 -13.376 TIMING: 3365800 CPU: 10632.5, 0.0031754/step Wall: 10632.5, 0.0031754/step, 1.44146 hours remaining, 235.890625 MB of memory in use. ENERGY: 3365800 3957.2433 20561.2213 14472.6833 245.6945 -202709.7998 2179.5875 0.0000 0.0000 51796.3315 -109497.0384 297.6742 -161293.3699 -109138.2729 298.8882 -210.9000 -192.0500 762023.9648 -2.8095 -2.9281 PRESSURE: 3366000 -131.082 -25.7012 8.15125 -25.701 417.527 -60.9754 8.15148 -60.9746 527.673 GPRESSURE: 3366000 -7.45259 -77.2574 6.95314 -19.3192 406.035 -85.7866 65.6636 -75.5093 512.225 PRESSAVG: 3366000 38.1255 -59.7463 1.79798 -59.7463 -84.8178 4.50089 1.798 4.50088 8.45543 GPRESSAVG: 3366000 38.0516 -56.3078 1.69155 -61.2278 -84.8258 3.89423 2.78104 4.90191 8.73574 TIMING: 3366000 CPU: 10633.1, 0.00317106/step Wall: 10633.1, 0.00317106/step, 1.43931 hours remaining, 235.890625 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: 3366000 3956.6585 20527.2477 14509.1863 254.6804 -203197.6287 2672.2577 0.0000 0.0000 51874.8078 -109402.7902 298.1252 -161277.5980 -109045.0549 298.5732 271.3728 303.6023 760770.9755 -12.7456 -12.6795 PRESSURE: 3366200 26.2367 214.705 9.19643 214.705 -133.081 124.004 9.1967 124.003 -148.739 GPRESSURE: 3366200 17.7578 42.9879 23.501 232.471 -65.7956 34.6196 16.1294 69.7649 -130.298 PRESSAVG: 3366200 32.0858 28.9435 50.5254 28.9435 -42.5186 -14.2393 50.5254 -14.2392 -28.3372 GPRESSAVG: 3366200 33.4566 26.1824 50.8321 30.8671 -42.2245 -13.9521 49.1721 -13.4933 -29.5462 TIMING: 3366200 CPU: 10633.8, 0.00316356/step Wall: 10633.8, 0.00316356/step, 1.43573 hours remaining, 235.890625 MB of memory in use. ENERGY: 3366200 3955.9888 20438.4674 14555.8211 269.2166 -202957.4008 2389.1931 0.0000 0.0000 52041.8082 -109306.9057 299.0850 -161348.7139 -108947.7811 299.2211 -85.1946 -59.4454 761381.9716 -12.9233 -12.7714 PRESSURE: 3366400 -44.3218 124.697 -147.974 124.697 -228.534 -91.0654 -147.974 -91.0664 171.25 GPRESSURE: 3366400 -2.94638 166.593 -106.93 43.1528 -237.283 -120.605 -15.2021 -149.914 202.209 PRESSAVG: 3366400 27.1346 18.1977 65.4951 18.1976 -34.1995 7.0396 65.4952 7.03961 -22.7402 GPRESSAVG: 3366400 26.1626 20.1903 65.2836 16.3266 -33.4462 8.92722 66.8577 4.29978 -22.7563 TIMING: 3366400 CPU: 10634.4, 0.00316738/step Wall: 10634.4, 0.00316738/step, 1.43729 hours remaining, 235.890625 MB of memory in use. ENERGY: 3366400 3896.6752 20370.7360 14556.5809 226.4653 -203112.1947 2653.5161 0.0000 0.0000 51934.3518 -109473.8695 298.4674 -161408.2213 -109106.9729 298.5739 -33.8685 -12.6737 762870.9241 -9.9350 -10.0133 PRESSURE: 3366600 -510.852 -129.723 6.67904 -129.723 -150.004 106.578 6.67893 106.578 -291.428 GPRESSURE: 3366600 -439.765 -114.477 -17.5944 -173.002 -68.0374 230.274 54.1353 44.6267 -351.442 PRESSAVG: 3366600 -22.2628 1.80375 16.8701 1.80382 6.55854 17.8207 16.8702 17.8208 -25.65 GPRESSAVG: 3366600 -22.8736 0.761761 16.6471 1.42327 7.54881 17.5644 16.3979 15.7669 -26.2897 TIMING: 3366600 CPU: 10635, 0.00316553/step Wall: 10635, 0.00316553/step, 1.43627 hours remaining, 235.890625 MB of memory in use. ENERGY: 3366600 4038.7437 20463.3649 14452.4853 236.6061 -203533.8357 2610.9019 0.0000 0.0000 52213.7336 -109518.0003 300.0730 -161731.7339 -109160.3763 299.0834 -317.4281 -286.4148 761277.0327 -13.7848 -13.8715 PRESSURE: 3366800 -87.0224 -128.222 50.3122 -128.222 -264.057 7.0761 50.3113 7.07594 -72.2472 GPRESSURE: 3366800 -22.8433 -154.108 77.9379 -130.743 -264.903 9.98901 -73.8358 50.3674 -65.8431 PRESSAVG: 3366800 4.36717 -41.9099 -4.10174 -41.91 -17.5788 8.26901 -4.1017 8.26898 -27.0374 GPRESSAVG: 3366800 4.50565 -39.9969 -2.71917 -40.6597 -18.8441 8.57262 -2.42515 12.6645 -25.8047 TIMING: 3366800 CPU: 10635.7, 0.00316355/step Wall: 10635.7, 0.00316355/step, 1.4352 hours remaining, 235.890625 MB of memory in use. ENERGY: 3366800 4010.4790 20448.3842 14416.3565 245.0953 -203219.8496 2407.5455 0.0000 0.0000 52098.1647 -109593.8243 299.4089 -161691.9891 -109236.8051 298.7395 -141.1090 -117.8633 761423.1833 -13.4163 -13.3811 PRESSURE: 3367000 -260.156 25.6141 -16.5256 25.6143 117.614 -45.9979 -16.5255 -45.998 -263.385 GPRESSURE: 3367000 -170.529 -18.8604 -52.5905 -37.1602 70.7678 24.8738 42.4436 -41.6511 -229.262 PRESSAVG: 3367000 -11.467 -18.7406 12.3735 -18.7406 22.3679 55.3265 12.3735 55.3265 13.3075 GPRESSAVG: 3367000 -11.6333 -19.3386 10.3389 -19.1713 22.8376 55.1343 10.1869 52.5324 13.1494 TIMING: 3367000 CPU: 10636.3, 0.00316624/step Wall: 10636.3, 0.00316624/step, 1.43624 hours remaining, 235.890625 MB of memory in use. ENERGY: 3367000 4007.5943 20468.8612 14490.9414 262.3151 -203640.1722 2697.2578 0.0000 0.0000 52043.7517 -109669.4508 299.0962 -161713.2025 -109301.0292 298.3982 -135.3091 -109.6743 761746.8762 8.0694 8.1179 PRESSURE: 3367200 -111.518 215.868 -306.057 215.867 -423.545 -95.7013 -306.057 -95.7002 -259.682 GPRESSURE: 3367200 -67.3926 113.91 -265.148 267.341 -374.635 -64.7987 -174.275 150.832 -260.056 PRESSAVG: 3367200 -31.8142 -37.8623 -5.9783 -37.8623 69.9132 1.28702 -5.97827 1.28699 -1.41159 GPRESSAVG: 3367200 -31.0356 -39.2348 -5.41006 -36.7422 69.5846 0.223397 -4.75095 1.97691 -1.74195 TIMING: 3367200 CPU: 10637, 0.003187/step Wall: 10637, 0.003187/step, 1.44548 hours remaining, 235.890625 MB of memory in use. ENERGY: 3367200 4033.1548 20425.1114 14576.6042 252.9577 -203589.8597 2702.6623 0.0000 0.0000 51992.8082 -109606.5611 298.8034 -161599.3693 -109246.9133 299.0655 -264.9149 -234.0280 762305.9542 12.2291 12.2690 PRESSURE: 3367400 -207.457 -240.352 -62.2558 -240.352 -45.2356 -21.6665 -62.2559 -21.6663 148.496 GPRESSURE: 3367400 -180.163 -286.961 -51.1095 -211.209 -14.694 -17.9555 -37.5711 -0.778958 166.789 PRESSAVG: 3367400 -65.1325 -53.7473 43.9212 -53.7473 45.4558 30.9878 43.9213 30.9879 -3.01987 GPRESSAVG: 3367400 -65.3149 -52.0195 43.8875 -54.8678 45.6395 31.6462 45.4218 32.211 -3.56938 TIMING: 3367400 CPU: 10637.6, 0.00317938/step Wall: 10637.6, 0.00317938/step, 1.44185 hours remaining, 235.890625 MB of memory in use. ENERGY: 3367400 3895.7699 20501.6988 14518.1275 234.5852 -203274.1865 2585.4830 0.0000 0.0000 51932.7834 -109605.7387 298.4584 -161538.5221 -109242.6333 298.7749 -34.7324 -9.3559 762038.2036 -7.5655 -7.7483 PRESSURE: 3367600 -252.317 -35.6248 64.7864 -35.6247 -315.342 -43.643 64.786 -43.6423 -17.3275 GPRESSURE: 3367600 -193.937 -133.427 59.4542 57.2218 -350.323 73.0259 -46.4252 -119.646 29.7658 PRESSAVG: 3367600 -4.08238 -92.0911 19.8802 -92.0911 -20.5802 -20.9482 19.8802 -20.9481 7.5806 GPRESSAVG: 3367600 -4.7662 -94.2658 22.1016 -90.1441 -21.5539 -20.8795 16.0013 -22.3476 8.83503 TIMING: 3367600 CPU: 10638.2, 0.00318605/step Wall: 10638.2, 0.00318605/step, 1.4447 hours remaining, 235.890625 MB of memory in use. ENERGY: 3367600 3908.4529 20544.1212 14452.4012 250.2754 -203570.8344 2702.1686 0.0000 0.0000 52078.2500 -109635.1649 299.2944 -161713.4150 -109266.3417 298.9100 -194.9953 -171.4981 762370.1738 -5.6940 -5.8284 PRESSURE: 3367800 -262.628 59.2376 22.8812 59.2375 -446.597 107.034 22.8819 107.034 74.998 GPRESSURE: 3367800 -234.184 -12.4 65.1 69.8705 -363.861 91.3419 -94.9406 91.0763 59.1224 PRESSAVG: 3367800 1.65059 -51.9435 92.3024 -51.9435 19.8977 20.2731 92.3023 20.2732 -14.8267 GPRESSAVG: 3367800 1.58444 -51.2848 92.1539 -52.9674 19.8938 19.012 91.2094 20.147 -14.5573 TIMING: 3367800 CPU: 10638.9, 0.00319081/step Wall: 10638.9, 0.00319081/step, 1.44668 hours remaining, 235.890625 MB of memory in use. ENERGY: 3367800 3971.2210 20613.7270 14438.9235 237.7603 -203337.9685 2644.4237 0.0000 0.0000 51956.2681 -109475.6449 298.5934 -161431.9130 -109112.3165 299.1697 -211.4087 -179.6406 762830.1964 2.2405 2.3070 PRESSURE: 3368000 -55.0157 43.6246 -31.7803 43.6242 -267.961 -143.845 -31.7807 -143.845 119.726 GPRESSURE: 3368000 -43.2335 11.1347 -128.755 58.6943 -198.418 -155.125 -35.2237 -155.786 109.439 PRESSAVG: 3368000 -35.8483 -66.1322 48.2142 -66.1322 5.56036 7.00631 48.2142 7.00633 -3.35255 GPRESSAVG: 3368000 -35.6239 -65.8384 46.1937 -65.3087 5.11235 7.87184 51.6097 7.26234 -3.12031 TIMING: 3368000 CPU: 10639.5, 0.0031746/step Wall: 10639.5, 0.0031746/step, 1.43915 hours remaining, 235.890625 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: 3368000 3940.9828 20613.9406 14453.3555 261.2479 -203415.2941 2583.4764 0.0000 0.0000 52135.2390 -109427.0520 299.6219 -161562.2909 -109069.0287 299.6023 -67.7504 -44.0707 761928.0902 -11.2135 -11.2106 PRESSURE: 3368200 106.568 -99.0004 7.74439 -99.0009 -216.034 69.8721 7.74473 69.8724 144.864 GPRESSURE: 3368200 76.8808 -122.881 62.7419 -43.434 -199.248 -17.3478 -161.116 84.8004 228.916 PRESSAVG: 3368200 65.6695 -24.098 7.9266 -24.0979 -72.8675 -30.3649 7.92656 -30.3649 35.1162 GPRESSAVG: 3368200 65.4012 -24.9143 9.21363 -24.764 -71.8756 -31.1632 3.6348 -29.6306 34.4311 TIMING: 3368200 CPU: 10640.1, 0.00319521/step Wall: 10640.1, 0.00319521/step, 1.44832 hours remaining, 235.890625 MB of memory in use. ENERGY: 3368200 4029.3137 20311.8606 14444.3403 237.3600 -203233.0178 2711.6513 0.0000 0.0000 52073.5061 -109424.9859 299.2672 -161498.4920 -109056.7425 299.1175 11.7995 35.5162 761869.2037 9.3061 9.3189 LDB: ============= START OF LOAD BALANCING ============== 10652.7 LDB: ============== END OF LOAD BALANCING =============== 10652.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10652.7 LDB: ============= START OF LOAD BALANCING ============== 10653 LDB: Largest compute 7026 load 0.034053 is 17.4% of average load 0.195621 LDB: Average compute 0.004382 is 2.2% of average load 0.195621 LDB: TIME 10653 LOAD: AVG 0.195621 MAX 0.216187 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.301 MB LDB: TIME 10653 LOAD: AVG 0.195621 MAX 0.216187 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.395 MB LDB: TIME 10653 LOAD: AVG 0.195621 MAX 0.216187 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.395 MB LDB: ============== END OF LOAD BALANCING =============== 10653 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10653 PRESSURE: 3368400 -130.949 -132.469 90.3324 -132.47 -200.468 79.4715 90.3325 79.4726 35.6296 GPRESSURE: 3368400 -58.5376 -116.316 76.5492 -212.471 -186.847 -56.8714 62.7647 -24.2593 26.0835 PRESSAVG: 3368400 7.73457 -5.67305 5.38417 -5.67303 -22.1879 -33.2177 5.38422 -33.2177 31.8861 GPRESSAVG: 3368400 8.7344 -5.23484 4.84877 -7.72069 -22.7393 -31.1713 6.23655 -36.9923 31.8538 TIMING: 3368400 CPU: 10640.8, 0.0032385/step Wall: 10640.8, 0.0032385/step, 1.46776 hours remaining, 234.882812 MB of memory in use. ENERGY: 3368400 3989.4408 20559.7894 14403.1772 250.9638 -203417.7743 2810.9523 0.0000 0.0000 51844.2865 -109559.1643 297.9498 -161403.4508 -109192.5979 298.7726 -98.5958 -73.1002 763681.7300 5.8109 5.9496 PRESSURE: 3368600 -404.36 -186.201 190.171 -186.202 349.644 -333.56 190.171 -333.559 107.465 GPRESSURE: 3368600 -301.245 -74.7343 157.25 -106.441 377.784 -320.981 103.779 -169.536 48.9451 PRESSAVG: 3368600 -1.6409 -4.78161 37.1026 -4.78158 -39.4729 -17.0852 37.1026 -17.0852 7.48835 GPRESSAVG: 3368600 -2.5073 -5.58014 37.2543 -2.23157 -39.4067 -16.261 39.3067 -15.9478 8.36164 TIMING: 3368600 CPU: 10641.4, 0.00316814/step Wall: 10641.4, 0.00316814/step, 1.4357 hours remaining, 234.882812 MB of memory in use. ENERGY: 3368600 3965.9711 20464.4290 14462.9925 235.4737 -203088.1032 2276.1566 0.0000 0.0000 52150.0061 -109533.0742 299.7068 -161683.0803 -109172.0734 298.5724 17.5827 41.8280 762207.1014 -11.2085 -11.1841 PRESSURE: 3368800 167.829 -4.75309 -56.4184 -4.75219 -143.52 -132.163 -56.4179 -132.163 -90.9517 GPRESSURE: 3368800 142.869 60.39 -34.6929 -58.1676 -174.442 -76.8632 38.3726 -130.07 34.2262 PRESSAVG: 3368800 -22.1096 1.203 47.2114 1.20298 -3.31968 -22.3004 47.2114 -22.3005 8.99137 GPRESSAVG: 3368800 -22.3974 1.73056 46.5644 0.0147164 -1.62116 -22.7271 46.3802 -22.4656 7.87405 TIMING: 3368800 CPU: 10642.1, 0.00317905/step Wall: 10642.1, 0.00317905/step, 1.44046 hours remaining, 235.085938 MB of memory in use. ENERGY: 3368800 3995.0121 20566.9629 14412.4882 243.9763 -203298.0957 2534.0591 0.0000 0.0000 51986.4968 -109559.1003 298.7671 -161545.5971 -109214.9842 298.9068 -22.2144 0.8843 761668.5362 -5.4793 -5.3815 PRESSURE: 3369000 -482.537 -4.5927 -235.029 -4.59182 -200.341 -127.825 -235.028 -127.826 -156.862 GPRESSURE: 3369000 -403.25 -12.6132 -220.745 -120.576 -181.556 -202.842 -133.957 -123.967 -172.412 PRESSAVG: 3369000 45.5051 -16.8284 -15.129 -16.8284 -43.035 1.66952 -15.129 1.66954 6.56981 GPRESSAVG: 3369000 47.7592 -15.024 -14.9968 -17.198 -45.4949 0.315235 -15.28 1.6057 6.56202 TIMING: 3369000 CPU: 10642.7, 0.00319487/step Wall: 10642.7, 0.00319487/step, 1.44745 hours remaining, 235.085938 MB of memory in use. ENERGY: 3369000 4029.6770 20265.9932 14497.0015 246.5397 -203070.3269 2284.3114 0.0000 0.0000 52187.2822 -109559.5218 299.9210 -161746.8041 -109192.4919 298.9797 -279.9134 -252.4061 762770.1391 3.0133 2.9421 PRESSURE: 3369200 163.371 -14.9408 -86.7758 -14.9414 -302.506 82.9903 -86.7761 82.9892 267.678 GPRESSURE: 3369200 137.657 -68.5642 -34.7176 -63.0349 -224.729 16.468 -90.9284 165.426 296.451 PRESSAVG: 3369200 35.4536 -15.9312 -34.2789 -15.9313 -47.1161 -40.9778 -34.279 -40.9778 -38.4443 GPRESSAVG: 3369200 33.7952 -15.6773 -32.3452 -16.0886 -46.4405 -40.52 -34.6049 -42.4453 -37.5531 TIMING: 3369200 CPU: 10643.3, 0.00318273/step Wall: 10643.3, 0.00318273/step, 1.44178 hours remaining, 235.085938 MB of memory in use. ENERGY: 3369200 3968.6606 20504.1534 14481.2733 267.1067 -203192.4773 2499.6665 0.0000 0.0000 51917.0876 -109554.5291 298.3682 -161471.6167 -109201.4554 298.9224 42.8477 69.7931 759754.2875 -16.7023 -16.7328 PRESSURE: 3369400 -156.169 -53.6776 -92.3398 -53.6774 223.849 -38.3012 -92.3401 -38.3013 -363.263 GPRESSURE: 3369400 -109.286 -26.0902 66.2188 186.631 238.403 72.8478 -160.237 6.2049 -333.173 PRESSAVG: 3369400 37.7064 -9.44302 -17.0936 -9.44294 -25.7894 10.1077 -17.0935 10.1077 21.4452 GPRESSAVG: 3369400 37.0494 -9.12477 -19.5171 -7.37265 -23.8949 11.231 -15.555 12.9691 20.2187 TIMING: 3369400 CPU: 10644, 0.00318317/step Wall: 10644, 0.00318317/step, 1.4418 hours remaining, 235.085938 MB of memory in use. ENERGY: 3369400 3945.5751 20588.1015 14547.5028 251.9484 -203474.2620 2647.2634 0.0000 0.0000 52265.3728 -109228.4981 300.3698 -161493.8709 -108871.7676 299.4998 -98.5276 -68.0187 761591.9894 11.1207 11.1244 PRESSURE: 3369600 -15.5187 153.211 63.9283 153.211 304.716 -55.2463 63.9283 -55.2465 188.791 GPRESSURE: 3369600 35.7249 166.114 29.0798 41.4065 287.542 7.11491 67.6627 -53.4139 259.006 PRESSAVG: 3369600 12.2704 -4.57659 11.0323 -4.57654 -19.1045 10.1711 11.0323 10.171 -3.13809 GPRESSAVG: 3369600 12.6834 -4.41337 9.98172 -4.25349 -21.0554 9.4168 10.652 9.17007 -1.81238 TIMING: 3369600 CPU: 10644.6, 0.00319886/step Wall: 10644.6, 0.00319886/step, 1.44873 hours remaining, 235.085938 MB of memory in use. ENERGY: 3369600 3900.0935 20402.5787 14462.1709 259.5687 -203272.9686 2610.7938 0.0000 0.0000 52466.7629 -109171.0001 301.5272 -161637.7630 -108807.5323 299.6091 159.3293 194.0911 761734.2813 -3.3241 -3.3948 PRESSURE: 3369800 74.5874 -29.5014 63.4126 -29.5018 -54.9132 94.0143 63.413 94.0153 -84.168 GPRESSURE: 3369800 185.887 23.6383 46.9068 -16.0031 -40.6531 61.328 6.04086 82.5478 -126.672 PRESSAVG: 3369800 66.742 7.5099 40.6981 7.50996 -50.0262 8.93286 40.6982 8.93283 -17.4233 GPRESSAVG: 3369800 66.35 6.46093 41.8574 7.18642 -49.6829 7.71936 42.3906 9.49187 -17.4323 TIMING: 3369800 CPU: 10645.2, 0.0031747/step Wall: 10645.2, 0.0031747/step, 1.43761 hours remaining, 235.085938 MB of memory in use. ENERGY: 3369800 3926.2790 20443.8059 14370.8973 236.9986 -203551.5017 3032.1063 0.0000 0.0000 52383.7883 -109157.6264 301.0504 -161541.4147 -108796.0136 299.3343 -21.4979 6.1873 762890.4060 -0.2359 -0.2551 PRESSURE: 3370000 181.321 39.7501 -140.516 39.7506 -193.026 -63.1202 -140.518 -63.1199 -339.715 GPRESSURE: 3370000 286.734 180.64 -145.803 2.78586 -204.918 -110.178 -117.458 -97.1142 -381.104 PRESSAVG: 3370000 113.187 -26.4347 55.05 -26.4346 -125.362 -11.935 55.05 -11.935 4.4862 GPRESSAVG: 3370000 113.905 -26.4454 55.2764 -27.6498 -125.612 -12.1147 52.7879 -11.656 3.86494 TIMING: 3370000 CPU: 10645.9, 0.00320759/step Wall: 10645.9, 0.00320759/step, 1.45233 hours remaining, 235.085938 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: 3370000 3959.0157 20607.1459 14466.5575 250.1192 -203282.4610 2438.4017 0.0000 0.0000 52272.3199 -109288.9011 300.4097 -161561.2210 -108934.7883 299.2592 -117.1400 -99.7628 761079.9480 -2.5629 -2.6140 PRESSURE: 3370200 -122.502 140.925 -14.9139 140.925 317.078 -86.1162 -14.9147 -86.1177 -42.2621 GPRESSURE: 3370200 -33.6983 226.68 32.017 97.7181 291.945 -34.5124 13.1013 -95.5129 -33.4292 PRESSAVG: 3370200 9.62295 32.0923 -3.18791 32.0924 -1.88057 12.6367 -3.18788 12.6368 2.1779 GPRESSAVG: 3370200 9.21547 32.5097 -3.66739 32.1259 -2.58278 11.8996 -2.15417 14.109 3.68773 TIMING: 3370200 CPU: 10646.5, 0.0031927/step Wall: 10646.5, 0.0031927/step, 1.44541 hours remaining, 235.085938 MB of memory in use. ENERGY: 3370200 4076.9029 20456.0587 14509.0444 232.1963 -203531.3972 2705.4823 0.0000 0.0000 52149.4635 -109402.2491 299.7037 -161551.7126 -109026.7184 299.3128 50.7710 74.9391 762586.1143 3.3068 3.4401 PRESSURE: 3370400 -26.0886 -21.0524 142.003 -21.0526 -117.928 -52.0693 142.003 -52.0692 182.326 GPRESSURE: 3370400 37.6002 -7.75399 75.2196 -57.2587 -105.502 -62.2236 46.0364 106.081 184.394 PRESSAVG: 3370400 16.7731 18.1107 -30.6613 18.1107 22.0933 8.56196 -30.6613 8.56192 -11.9686 GPRESSAVG: 3370400 16.8621 18.0827 -30.5647 18.986 22.3923 10.4021 -31.3473 6.10394 -12.6782 TIMING: 3370400 CPU: 10647.2, 0.00318184/step Wall: 10647.2, 0.00318184/step, 1.44031 hours remaining, 235.085938 MB of memory in use. ENERGY: 3370400 3998.3970 20611.1207 14432.2381 241.3814 -203363.0056 2484.0157 0.0000 0.0000 52021.7020 -109574.1508 298.9694 -161595.8528 -109214.6005 298.6885 12.7700 38.8306 760304.9124 8.9659 8.8588 PRESSURE: 3370600 4.67247 262.585 -365.676 262.586 -284.302 102.877 -365.677 102.877 -10.649 GPRESSURE: 3370600 -62.7807 227.244 -314.064 219.153 -237.504 65.593 -403.999 -45.4291 94.2583 PRESSAVG: 3370600 0.567231 27.9043 -8.53204 27.9043 -17.872 -0.884071 -8.53204 -0.884114 12.323 GPRESSAVG: 3370600 -0.15908 27.9418 -9.17826 27.6877 -17.0627 -2.89639 -7.08427 0.471508 12.5735 TIMING: 3370600 CPU: 10647.8, 0.00320664/step Wall: 10647.8, 0.00320664/step, 1.45136 hours remaining, 235.085938 MB of memory in use. ENERGY: 3370600 3980.4921 20449.1938 14503.1904 241.8739 -203320.6450 2528.2436 0.0000 0.0000 52207.0290 -109410.6222 300.0345 -161617.6511 -109038.5751 299.1800 -96.7597 -68.6755 761492.9787 -1.6606 -1.5494 PRESSURE: 3370800 208.663 100.354 8.16179 100.354 -133.179 -152.539 8.1629 -152.54 -72.548 GPRESSURE: 3370800 225.693 29.6254 -46.866 17.209 -58.3112 -136.197 86.3347 -100.718 -92.3728 PRESSAVG: 3370800 22.9639 -16.1451 7.31407 -16.1451 -11.8196 -21.3062 7.31409 -21.3061 17.0109 GPRESSAVG: 3370800 23.0028 -15.8918 7.64108 -14.7295 -10.666 -19.3344 7.61976 -22.6706 16.0144 TIMING: 3370800 CPU: 10648.4, 0.00318993/step Wall: 10648.4, 0.00318993/step, 1.44362 hours remaining, 235.085938 MB of memory in use. ENERGY: 3370800 3970.0591 20504.0725 14525.0805 263.7129 -203090.8683 2239.2245 0.0000 0.0000 52167.6180 -109421.1009 299.8080 -161588.7188 -109054.9495 299.4314 0.9789 25.0031 760634.2583 9.3851 9.4504 PRESSURE: 3371000 -273.109 -97.1375 -134.837 -97.137 -436.459 231.449 -134.837 231.448 -386.113 GPRESSURE: 3371000 -263.028 -95.9328 -111.992 -79.0256 -378.962 109.485 -211.196 306.725 -373.714 PRESSAVG: 3371000 23.1939 38.7498 -14.1149 38.7498 -16.3623 -2.46666 -14.1149 -2.46662 3.84648 GPRESSAVG: 3371000 24.5098 39.724 -15.4041 38.2114 -18.1718 -3.87988 -15.184 1.27596 4.02076 TIMING: 3371000 CPU: 10649.1, 0.00323943/step Wall: 10649.1, 0.00323943/step, 1.46584 hours remaining, 235.085938 MB of memory in use. ENERGY: 3371000 3988.4784 20485.8942 14459.6391 248.5811 -202832.4676 2064.3394 0.0000 0.0000 52080.8909 -109504.6445 299.3096 -161585.5354 -109151.7595 299.7344 -365.2271 -338.5680 761493.1221 3.5594 3.4529 PRESSURE: 3371200 38.6418 13.2805 -20.346 13.2809 -55.8337 11.7097 -20.3457 11.7099 -3.82723 GPRESSURE: 3371200 107.125 -15.3372 -50.7216 -3.55954 -23.8118 73.6626 29.1012 -74.8678 -49.5084 PRESSAVG: 3371200 3.28979 4.56189 -43.4842 4.56189 -14.1481 -16.1937 -43.4841 -16.1937 -9.76542 GPRESSAVG: 3371200 1.92997 4.22379 -41.8762 3.60759 -12.8955 -16.2116 -43.5268 -20.1148 -9.39478 TIMING: 3371200 CPU: 10649.7, 0.0032064/step Wall: 10649.7, 0.0032064/step, 1.45072 hours remaining, 235.152344 MB of memory in use. ENERGY: 3371200 3949.6578 20350.6137 14552.3628 246.9456 -203485.4948 2601.3243 0.0000 0.0000 52180.2135 -109604.3772 299.8804 -161784.5907 -109245.9055 298.9044 -7.0064 11.2684 761130.4677 -6.8746 -6.7868 PRESSURE: 3371400 -13.6065 -224.47 -94.6777 -224.469 -417.12 48.2219 -94.6778 48.2224 -508.578 GPRESSURE: 3371400 80.0876 -192.896 -102.766 -219.089 -428.31 60.5255 -139.667 14.0604 -486.567 PRESSAVG: 3371400 73.4626 22.3254 -37.9506 22.3253 -65.9628 43.2737 -37.9506 43.2737 14.481 GPRESSAVG: 3371400 74.3754 20.0685 -37.2655 22.3764 -65.6974 43.0509 -39.4562 45.7634 14.1128 TIMING: 3371400 CPU: 10650.4, 0.00318479/step Wall: 10650.4, 0.00318479/step, 1.44076 hours remaining, 235.152344 MB of memory in use. ENERGY: 3371400 3989.4071 20389.4830 14471.9144 253.5043 -203156.4051 2478.1369 0.0000 0.0000 52078.9329 -109495.0265 299.2983 -161573.9595 -109124.6888 298.6394 -313.1016 -278.2632 762712.3465 7.3269 7.5969 PRESSURE: 3371600 -219.03 31.9498 102.992 31.9497 110.134 150.209 102.992 150.209 -43.6477 GPRESSURE: 3371600 -93.3688 -61.8403 88.3209 -9.70055 132.882 169.847 170.687 197.119 -102.078 PRESSAVG: 3371600 33.2123 -36.1121 -56.0248 -36.1121 14.0704 37.0715 -56.0248 37.0715 3.91966 GPRESSAVG: 3371600 32.3033 -36.6012 -58.1367 -37.6467 14.8775 37.7295 -53.8993 36.8403 3.99862 TIMING: 3371600 CPU: 10651, 0.00317566/step Wall: 10651, 0.00317566/step, 1.43646 hours remaining, 235.152344 MB of memory in use. ENERGY: 3371600 3868.1384 20427.5941 14503.0511 268.8786 -202693.9098 2329.2532 0.0000 0.0000 51764.2496 -109532.7448 297.4899 -161296.9944 -109165.7941 298.4683 -50.8479 -20.8548 763452.1246 17.0674 17.0598 PRESSURE: 3371800 -27.4488 -81.3991 142.461 -81.3993 -89.8955 -137.579 142.461 -137.579 -156.651 GPRESSURE: 3371800 35.1857 -86.1445 54.1446 -63.9899 -145.558 -82.7918 118.351 -399.021 -82.6152 PRESSAVG: 3371800 1.53517 -63.3088 2.8309 -63.3088 -26.2225 -0.11961 2.83091 -0.119578 -3.61924 GPRESSAVG: 3371800 2.03548 -60.64 4.45077 -62.8484 -27.363 0.852113 2.05176 -2.74534 -3.11786 TIMING: 3371800 CPU: 10651.6, 0.0031807/step Wall: 10651.6, 0.0031807/step, 1.43856 hours remaining, 235.152344 MB of memory in use. ENERGY: 3371800 4018.7695 20395.4126 14455.6625 266.9269 -203247.7794 2560.4924 0.0000 0.0000 52053.5112 -109497.0041 299.1522 -161550.5154 -109128.0617 298.8284 -91.3318 -64.3291 761080.7142 -9.4355 -9.4818 PRESSURE: 3372000 -47.4195 -58.8884 73.0238 -58.8881 286.875 104.044 73.0237 104.044 202.722 GPRESSURE: 3372000 28.2593 -63.3015 214.505 1.00874 290.264 54.3597 22.0503 136.937 197.179 PRESSAVG: 3372000 5.34219 15.0367 -26.4471 15.0367 19.3424 -11.9729 -26.4471 -11.9729 9.01491 GPRESSAVG: 3372000 4.42371 14.5188 -27.0007 13.9621 19.4281 -12.9751 -25.9189 -11.2042 9.23382 TIMING: 3372000 CPU: 10652.3, 0.0031893/step Wall: 10652.3, 0.0031893/step, 1.44227 hours remaining, 235.152344 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: 3372000 3899.0480 20514.0443 14494.9326 231.9450 -203517.1102 2574.8082 0.0000 0.0000 52013.6223 -109788.7098 298.9230 -161802.3320 -109425.1054 299.0285 147.3927 171.9007 760721.2237 11.2332 11.0285 PRESSURE: 3372200 -224.636 -39.5733 12.344 -39.5724 -330.118 -238.272 12.344 -238.273 135.105 GPRESSURE: 3372200 -78.1125 -59.1812 38.9242 16.6631 -308.258 -214.363 -232.437 -136.941 69.7306 PRESSAVG: 3372200 35.0124 7.79209 -9.61539 7.79215 -66.1876 -13.8904 -9.6154 -13.8904 16.452 GPRESSAVG: 3372200 36.544 7.80184 -7.62891 10.0536 -66.6215 -12.7859 -11.8053 -11.8528 15.7467 TIMING: 3372200 CPU: 10652.9, 0.00316104/step Wall: 10652.9, 0.00316104/step, 1.42932 hours remaining, 235.152344 MB of memory in use. ENERGY: 3372200 3924.0631 20328.2544 14524.9876 247.5088 -203304.2989 2350.2271 0.0000 0.0000 51959.3031 -109969.9548 298.6108 -161929.2578 -109616.1392 298.4268 -139.8831 -105.5465 759715.7866 -4.9077 -4.7769 LDB: ============= START OF LOAD BALANCING ============== 10665.4 LDB: ============== END OF LOAD BALANCING =============== 10665.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10665.4 LDB: ============= START OF LOAD BALANCING ============== 10665.8 LDB: Largest compute 7034 load 0.032598 is 16.7% of average load 0.195692 LDB: Average compute 0.004364 is 2.2% of average load 0.195692 LDB: TIME 10665.8 LOAD: AVG 0.195692 MAX 0.21263 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 10665.8 LOAD: AVG 0.195692 MAX 0.21263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 10665.8 LOAD: AVG 0.195692 MAX 0.21263 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 10665.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10665.8 PRESSURE: 3372400 -267.102 -10.8114 -239.499 -10.8104 -13.6084 89.7109 -239.499 89.7116 100.429 GPRESSURE: 3372400 -150.493 -61.4013 -207.369 15.3881 -119.668 115.269 -171.911 69.5518 172.902 PRESSAVG: 3372400 9.06014 -32.5012 -18.8568 -32.5011 28.3647 2.42471 -18.8567 2.42471 -5.84022 GPRESSAVG: 3372400 8.70355 -32.4989 -21.4366 -33.6361 27.5159 1.82631 -17.4967 -0.127217 -4.62845 TIMING: 3372400 CPU: 10653.6, 0.00325419/step Wall: 10653.6, 0.00325419/step, 1.47126 hours remaining, 234.371094 MB of memory in use. ENERGY: 3372400 4016.1675 20445.2187 14466.9156 249.7461 -204102.4962 3091.5251 0.0000 0.0000 51968.2549 -109864.6683 298.6623 -161832.9231 -109517.6582 298.5078 -60.0936 -32.4196 758677.5931 10.5282 10.5303 PRESSURE: 3372600 -116.888 38.5858 -51.1645 38.586 94.1623 -29.4972 -51.1641 -29.4977 -162.809 GPRESSURE: 3372600 -130.95 65.9384 -91.0824 46.6667 133.817 -93.817 -71.3329 -126.09 -105.415 PRESSAVG: 3372600 61.0632 15.4975 -38.9629 15.4975 -60.0341 -24.6179 -38.9629 -24.6179 14.2154 GPRESSAVG: 3372600 61.3045 15.5459 -37.7562 16.2331 -59.2187 -23.8065 -37.9762 -24.3007 13.312 TIMING: 3372600 CPU: 10654.2, 0.00318372/step Wall: 10654.2, 0.00318373/step, 1.43922 hours remaining, 234.628906 MB of memory in use. ENERGY: 3372600 3951.6554 20300.3909 14440.9051 250.6406 -203305.1000 2614.3767 0.0000 0.0000 51956.4412 -109790.6902 298.5944 -161747.1314 -109422.0290 298.6210 -61.8448 -34.1828 761378.3777 5.0815 5.1326 PRESSURE: 3372800 121.093 -205.783 -14.7134 -205.783 -78.4734 258.515 -14.7129 258.514 38.5303 GPRESSURE: 3372800 70.945 -198.973 -52.9096 -188.364 -40.7913 240.035 15.1381 299.582 134.287 PRESSAVG: 3372800 31.2366 16.6642 9.6644 16.6643 -31.8257 18.2988 9.66439 18.2988 -20.5031 GPRESSAVG: 3372800 29.2813 15.8115 10.8504 15.5175 -31.3581 16.6336 5.85447 18.8156 -19.4922 TIMING: 3372800 CPU: 10654.8, 0.00317169/step Wall: 10654.8, 0.00317169/step, 1.4336 hours remaining, 234.628906 MB of memory in use. ENERGY: 3372800 4027.8390 20358.1961 14446.3835 244.2302 -203459.5513 2436.3131 0.0000 0.0000 52231.2708 -109715.3186 300.1738 -161946.5894 -109336.3828 299.2172 27.0501 54.8137 759925.5632 -7.0307 -7.1897 PRESSURE: 3373000 201.634 -238.742 -149.239 -238.741 -229.887 -48.2286 -149.238 -48.2303 94.8693 GPRESSURE: 3373000 247.393 -210.519 -190.156 -194.261 -134.078 -17.0017 -131.771 -82.4986 33.4298 PRESSAVG: 3373000 16.9871 -40.8169 -2.91314 -40.8169 -49.7392 -39.0766 -2.91314 -39.0766 9.76908 GPRESSAVG: 3373000 19.0091 -39.4417 -4.23896 -37.8639 -50.2354 -37.9715 -1.29522 -40.5035 8.14523 TIMING: 3373000 CPU: 10655.5, 0.00317335/step Wall: 10655.5, 0.00317335/step, 1.43418 hours remaining, 234.628906 MB of memory in use. ENERGY: 3373000 3981.5708 20435.0987 14519.8483 231.5211 -203330.9335 2502.3987 0.0000 0.0000 51867.9827 -109792.5133 298.0860 -161660.4960 -109422.0585 298.9810 22.2056 48.9149 758552.7393 -7.6610 -7.6937 PRESSURE: 3373200 -253.861 -65.7467 -407.781 -65.7466 -231.709 -124.322 -407.781 -124.322 -277.137 GPRESSURE: 3373200 -172.373 -156.368 -370.193 -111.791 -174.703 -185.606 -314.589 -11.1722 -322.428 PRESSAVG: 3373200 34.4229 -37.2158 -26.8156 -37.2157 -30.1645 -65.5722 -26.8156 -65.5721 -4.31445 GPRESSAVG: 3373200 33.5302 -38.3661 -25.7222 -39.7663 -30.3695 -65.5474 -26.0059 -65.9345 -2.99178 TIMING: 3373200 CPU: 10656.1, 0.00317474/step Wall: 10656.1, 0.00317474/step, 1.43463 hours remaining, 234.699219 MB of memory in use. ENERGY: 3373200 4071.8201 20429.4116 14507.4454 260.8694 -203435.6690 2779.0835 0.0000 0.0000 51756.7146 -109630.3245 297.4466 -161387.0391 -109278.3283 298.8111 -254.2357 -223.1680 761339.7003 -0.0187 0.0563 PRESSURE: 3373400 -316.052 14.1336 -140.802 14.1335 70.5532 -78.9099 -140.802 -78.9081 -52.6755 GPRESSURE: 3373400 -186.138 -37.9045 -168.255 -33.712 12.1248 -41.6102 -106.239 -51.8422 -27.9861 PRESSAVG: 3373400 -20.1709 -60.7085 -42.7524 -60.7085 -26.861 6.95497 -42.7524 6.95496 -1.71482 GPRESSAVG: 3373400 -18.8211 -62.6019 -43.8481 -60.6322 -28.3862 6.41318 -41.6637 7.76966 -1.39197 TIMING: 3373400 CPU: 10656.7, 0.00318649/step Wall: 10656.7, 0.00318649/step, 1.43976 hours remaining, 234.699219 MB of memory in use. ENERGY: 3373400 4046.9697 20251.1631 14488.6264 264.4735 -203442.8371 2664.5562 0.0000 0.0000 52017.6240 -109709.4243 298.9460 -161727.0483 -109351.3236 298.8858 -99.3913 -67.3331 763167.3533 -16.2489 -16.1998 PRESSURE: 3373600 -191.327 96.2353 93.8524 96.2356 -218.05 -87.0032 93.8517 -87.0038 109.493 GPRESSURE: 3373600 -188.689 127.863 115.803 207.652 -89.9073 -142.232 56.6651 -47.4144 55.5321 PRESSAVG: 3373600 -11.9063 -41.8153 20.6343 -41.8153 -23.4386 -64.7478 20.6343 -64.7478 -19.4363 GPRESSAVG: 3373600 -12.5853 -39.5363 20.72 -43.6058 -21.5967 -63.7481 19.9529 -64.3628 -20.5004 TIMING: 3373600 CPU: 10657.4, 0.00317093/step Wall: 10657.4, 0.00317093/step, 1.43255 hours remaining, 234.687500 MB of memory in use. ENERGY: 3373600 3966.1728 20549.7839 14447.5197 236.2632 -203358.9122 2516.6978 0.0000 0.0000 51784.9938 -109857.4809 297.6091 -161642.4748 -109491.0074 298.3726 -99.9614 -74.3548 762127.4766 -18.2604 -18.2275 PRESSURE: 3373800 403.383 -61.7153 -343.662 -61.7152 337.353 -24.8968 -343.661 -24.8962 -10.5706 GPRESSURE: 3373800 499.877 -128.098 -303.825 40.5157 369.835 -31.3421 -331.579 -63.7273 -51.169 PRESSAVG: 3373800 -10.769 -28.5037 -45.2269 -28.5037 0.701495 33.2558 -45.2269 33.2558 -16.6218 GPRESSAVG: 3373800 -10.3548 -28.658 -43.9654 -27.1649 0.737305 33.7498 -45.3484 32.293 -16.7616 TIMING: 3373800 CPU: 10658, 0.00315736/step Wall: 10658, 0.00315736/step, 1.42625 hours remaining, 234.687500 MB of memory in use. ENERGY: 3373800 3925.0588 20358.6209 14527.0005 242.5638 -203852.6111 3058.4938 0.0000 0.0000 51944.0679 -109796.8054 298.5233 -161740.8733 -109434.7667 298.5768 243.3887 272.8477 761755.1371 -8.8964 -8.7930 PRESSURE: 3374000 545.386 -136.793 100.392 -136.793 -123.93 208.815 100.392 208.815 -354.395 GPRESSURE: 3374000 497.708 -111.991 114.1 -196.455 -68.0146 261.256 102.399 210.978 -307.891 PRESSAVG: 3374000 58.8743 -10.5888 0.381806 -10.5887 17.2437 24.4953 0.381807 24.4954 -7.30734 GPRESSAVG: 3374000 58.5905 -10.2853 -0.450788 -11.0562 17.9034 23.6488 -0.278164 26.1126 -7.68735 TIMING: 3374000 CPU: 10658.6, 0.00319436/step Wall: 10658.6, 0.00319436/step, 1.44279 hours remaining, 234.687500 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: 3374000 3900.7062 20432.6327 14400.1263 252.7650 -203611.3793 2656.4364 0.0000 0.0000 52213.8949 -109754.8178 300.0740 -161968.7127 -109385.0103 298.7126 22.3540 40.6010 761996.6720 22.9369 22.9355 PRESSURE: 3374200 -81.4172 62.4193 21.0775 62.4195 -155.05 67.577 21.0766 67.5765 113.36 GPRESSURE: 3374200 21.0127 16.0951 49.0458 75.7388 -161.83 53.6746 1.64483 179.601 110.282 PRESSAVG: 3374200 -35.5226 -32.0039 -23.5312 -32.004 7.38045 -16.7814 -23.5312 -16.7814 -30.9639 GPRESSAVG: 3374200 -34.1126 -31.6661 -25.0178 -30.7229 6.82671 -15.8203 -22.7543 -17.8481 -31.4723 TIMING: 3374200 CPU: 10659.3, 0.00320544/step Wall: 10659.3, 0.00320544/step, 1.44761 hours remaining, 234.699219 MB of memory in use. ENERGY: 3374200 3952.3964 20453.1412 14598.1384 245.9035 -204020.8662 2801.3994 0.0000 0.0000 52070.9610 -109898.9263 299.2525 -161969.8873 -109528.9880 298.6660 -41.0358 -10.1786 761692.6419 -19.7020 -19.5861 PRESSURE: 3374400 -399.856 -96.933 66.662 -96.9324 131.833 -16.7696 66.6624 -16.7706 403.536 GPRESSURE: 3374400 -219.224 -98.8548 64.4232 -170.281 127.999 -5.11745 48.2607 -155.84 328.668 PRESSAVG: 3374400 12.8313 6.84247 -47.9934 6.84243 22.3195 -22.4082 -47.9934 -22.4082 -9.96834 GPRESSAVG: 3374400 13.2464 7.85699 -45.0506 4.60082 22.3285 -22.281 -47.4451 -23.1861 -9.91302 TIMING: 3374400 CPU: 10659.9, 0.00318983/step Wall: 10659.9, 0.00318983/step, 1.44039 hours remaining, 234.699219 MB of memory in use. ENERGY: 3374400 3952.6512 20567.1031 14421.5444 250.7050 -203512.2541 2722.9640 0.0000 0.0000 51718.8407 -109878.4457 297.2289 -161597.2864 -109524.2428 298.4826 45.1711 79.1476 762148.4716 8.3942 8.5540 PRESSURE: 3374600 214.929 118.624 172.869 118.623 -396.714 143.043 172.869 143.043 548.944 GPRESSURE: 3374600 203.914 187.116 182.973 173.346 -311.514 195.876 -28.5256 31.8735 549.994 PRESSAVG: 3374600 -18.5106 -1.28759 -27.6368 -1.28757 30.4814 -10.4294 -27.6367 -10.4294 8.57894 GPRESSAVG: 3374600 -21.0915 -3.34268 -27.8314 -1.00044 30.7315 -11.1492 -28.5621 -7.94724 10.8112 TIMING: 3374600 CPU: 10660.6, 0.00319851/step Wall: 10660.6, 0.00319851/step, 1.44413 hours remaining, 234.699219 MB of memory in use. ENERGY: 3374600 3961.8477 20452.0412 14594.2610 234.8051 -203569.7510 2511.8573 0.0000 0.0000 51923.8798 -109891.0587 298.4073 -161814.9385 -109534.5938 298.3956 122.3865 147.4648 760285.0302 6.8499 6.8171 PRESSURE: 3374800 17.412 -116.974 -111.174 -116.974 165.813 -216.234 -111.175 -216.234 47.9649 GPRESSURE: 3374800 94.2867 -115.851 -16.8026 5.0574 210.982 -242.355 -112.853 -84.4066 23.2336 PRESSAVG: 3374800 35.8616 10.8774 -16.129 10.8775 -37.6844 14.0924 -16.129 14.0923 -4.36454 GPRESSAVG: 3374800 36.5405 9.68707 -16.7688 14.5612 -37.7824 13.8674 -16.6823 13.1874 -5.56742 TIMING: 3374800 CPU: 10661.2, 0.00321463/step Wall: 10661.2, 0.00321463/step, 1.45123 hours remaining, 234.699219 MB of memory in use. ENERGY: 3374800 3985.2770 20488.7963 14498.5663 232.3996 -203897.0538 2663.7157 0.0000 0.0000 52016.8796 -110011.4193 298.9417 -162028.2990 -109654.0682 298.5170 77.0635 109.5008 760828.0927 -2.0625 -2.2698 PRESSURE: 3375000 -21.5386 -29.7473 116.24 -29.7475 102.092 -25.9723 116.24 -25.9728 56.9141 GPRESSURE: 3375000 34.9948 -114.687 77.5665 -30.8483 182.287 24.1416 122.434 -68.0328 8.89305 PRESSAVG: 3375000 -21.5814 -12.3356 -25.6409 -12.3357 -6.78673 19.3312 -25.641 19.3313 -7.27424 GPRESSAVG: 3375000 -22.2148 -11.2439 -25.4602 -14.9416 -6.74349 20.8835 -23.3202 19.5592 -6.25103 TIMING: 3375000 CPU: 10661.8, 0.00317462/step Wall: 10661.8, 0.00317462/step, 1.43299 hours remaining, 234.687500 MB of memory in use. ENERGY: 3375000 3945.8534 20346.4113 14477.1221 252.7731 -203378.9135 2576.8445 0.0000 0.0000 51715.9539 -110063.9551 297.2123 -161779.9090 -109697.3470 298.0340 45.8226 75.3917 761694.7741 -11.8808 -11.7364 PRESSURE: 3375200 -270.233 -95.8778 43.7762 -95.8783 -323.743 376.197 43.7749 376.197 -372.684 GPRESSURE: 3375200 -293.858 -28.2265 -12.0736 -69.3668 -248.308 340.803 26.9476 387.109 -363.82 PRESSAVG: 3375200 19.6322 37.4727 1.69787 37.4727 -62.3144 29.1971 1.69783 29.1972 -7.51342 GPRESSAVG: 3375200 20.1108 40.5797 0.224091 36.8264 -62.0489 28.9785 -0.819132 26.269 -8.37665 TIMING: 3375200 CPU: 10662.5, 0.00317358/step Wall: 10662.5, 0.00317358/step, 1.43234 hours remaining, 234.687500 MB of memory in use. ENERGY: 3375200 3951.6977 20432.5477 14448.8917 251.3872 -203277.2549 2222.6105 0.0000 0.0000 51895.3829 -110074.7373 298.2435 -161970.1202 -109700.4875 298.0797 -322.2201 -301.9956 761655.5444 -16.7319 -16.7716 PRESSURE: 3375400 42.2321 56.8992 -87.8386 56.8993 183.93 58.9248 -87.839 58.9255 6.34 GPRESSURE: 3375400 125.995 73.8869 -113.378 91.4515 165.097 142.645 80.3013 147.061 14.6444 PRESSAVG: 3375400 -20.1663 -0.68624 21.1587 -0.686235 -20.7457 -20.4069 21.1587 -20.4068 -9.40055 GPRESSAVG: 3375400 -19.9863 -2.51572 22.6014 -1.08079 -20.697 -20.5087 22.3982 -18.7854 -9.9347 TIMING: 3375400 CPU: 10663.1, 0.00319946/step Wall: 10663.1, 0.00319946/step, 1.44385 hours remaining, 234.687500 MB of memory in use. ENERGY: 3375400 3948.2132 20434.7099 14514.6697 241.5841 -203233.2484 2167.9099 0.0000 0.0000 51848.4251 -110077.7365 297.9736 -161926.1616 -109714.6775 298.4297 77.5007 101.9120 761355.6061 -16.7708 -16.8727 PRESSURE: 3375600 -140.379 66.9949 21.3415 66.995 -106.099 -202.669 21.3411 -202.667 -164.039 GPRESSURE: 3375600 -148.978 150.032 71.5335 41.2283 -36.4492 -120.463 76.4614 -234.971 -147.257 PRESSAVG: 3375600 40.4237 43.5547 -11.5157 43.5548 -11.8552 60.2942 -11.5157 60.2941 -2.26145 GPRESSAVG: 3375600 40.4882 43.8165 -13.015 45.1878 -10.7931 58.629 -11.9111 60.6218 -2.80835 TIMING: 3375600 CPU: 10663.7, 0.00319944/step Wall: 10663.7, 0.00319944/step, 1.44366 hours remaining, 234.699219 MB of memory in use. ENERGY: 3375600 3950.9769 20532.1676 14513.8867 243.0866 -203629.5613 2612.2082 0.0000 0.0000 51866.6223 -109910.6129 298.0782 -161777.2353 -109542.8608 297.9542 -136.8390 -110.8949 760940.2260 8.7690 8.9622 PRESSURE: 3375800 116.79 -45.811 245.591 -45.8107 187.408 60.6517 245.59 60.6518 62.0541 GPRESSURE: 3375800 151.209 71.9548 278.042 -51.2865 199.611 19.9876 91.6676 44.7149 121.888 PRESSAVG: 3375800 58.926 -9.73599 21.7765 -9.736 -30.5255 20.6457 21.7765 20.6457 -23.3867 GPRESSAVG: 3375800 58.8208 -9.57768 21.5007 -10.8103 -30.767 20.5294 19.0655 23.3691 -22.7016 TIMING: 3375800 CPU: 10664.4, 0.0032168/step Wall: 10664.4, 0.0032168/step, 1.45131 hours remaining, 234.699219 MB of memory in use. ENERGY: 3375800 3957.0043 20421.9182 14427.8861 237.8874 -203788.4712 2883.0749 0.0000 0.0000 51955.4094 -109905.2909 298.5885 -161860.7003 -109547.5434 298.6769 122.0841 157.5691 761295.8511 1.6713 1.7841 PRESSURE: 3376000 -564.973 -129.284 34.2752 -129.284 74.8255 -85.6549 34.2762 -85.6553 2.58557 GPRESSURE: 3376000 -452.716 -96.6839 -65.0371 -172.387 22.0979 -109.128 -37.3528 -2.39775 9.03128 PRESSAVG: 3376000 -18.4747 24.3081 -17.5003 24.3081 18.7647 -9.77832 -17.5003 -9.77835 -23.0452 GPRESSAVG: 3376000 -18.0873 23.5829 -17.6786 26.0213 17.742 -9.82726 -14.3699 -11.6748 -22.5252 TIMING: 3376000 CPU: 10665, 0.00319489/step Wall: 10665, 0.00319489/step, 1.44125 hours remaining, 234.687500 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: 3376000 3926.8612 20579.6796 14455.1940 263.0878 -203487.1002 2591.9248 0.0000 0.0000 51880.8338 -109789.5191 298.1599 -161670.3529 -109423.1265 298.5535 -162.5207 -140.5288 764572.4132 -7.5851 -7.6235 PRESSURE: 3376200 -7.67638 70.9035 -46.9528 70.9033 147.084 -154.685 -46.9535 -154.684 -224.298 GPRESSURE: 3376200 47.3319 46.9361 -42.5237 145.03 155.274 -34.0236 -67.698 -258.374 -201.185 PRESSAVG: 3376200 9.16377 38.6207 -22.2193 38.6208 21.9773 -36.4462 -22.2193 -36.4462 15.0316 GPRESSAVG: 3376200 8.94637 38.0394 -22.5114 37.8202 23.2006 -35.6967 -24.8389 -36.7265 14.3414 TIMING: 3376200 CPU: 10665.7, 0.00319127/step Wall: 10665.7, 0.00319127/step, 1.43944 hours remaining, 234.699219 MB of memory in use. ENERGY: 3376200 4004.3589 20636.4647 14508.3191 231.0950 -203838.2607 2754.9445 0.0000 0.0000 51989.0011 -109714.0774 298.7815 -161703.0785 -109351.6345 298.5069 -28.2967 0.4738 761353.6273 15.3909 15.4961 LDB: ============= START OF LOAD BALANCING ============== 10678.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10678.2 LDB: =============== DONE WITH MIGRATION ================ 10678.2 LDB: ============= START OF LOAD BALANCING ============== 10678.5 LDB: Largest compute 7034 load 0.035670 is 18.2% of average load 0.195643 LDB: Average compute 0.004375 is 2.2% of average load 0.195643 LDB: TIME 10678.5 LOAD: AVG 0.195643 MAX 0.213198 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 10678.5 LOAD: AVG 0.195643 MAX 0.213198 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 10678.5 LOAD: AVG 0.195643 MAX 0.213198 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 10678.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10678.5 PRESSURE: 3376400 -345.359 2.10914 230.765 2.10873 -52.1546 96.5129 230.764 96.5128 -262.428 GPRESSURE: 3376400 -242.006 -53.9779 161.301 -10.0444 -88.3375 53.2436 319.432 -140.721 -235.346 PRESSAVG: 3376400 9.58143 25.3225 15.1764 25.3224 -2.80056 -1.94678 15.1764 -1.9468 9.97036 GPRESSAVG: 3376400 9.44949 27.0705 16.3933 24.2711 -3.19612 -2.39013 17.8172 -3.91085 10.6006 TIMING: 3376400 CPU: 10666.3, 0.00328757/step Wall: 10666.3, 0.00328757/step, 1.48269 hours remaining, 236.164062 MB of memory in use. ENERGY: 3376400 4072.3474 20607.1883 14479.9238 250.3192 -203275.6301 2364.9150 0.0000 0.0000 52043.0174 -109457.9191 299.0919 -161500.9365 -109098.0512 299.2472 -219.9805 -188.5631 761243.9638 5.5837 5.6180 PRESSURE: 3376600 -252.709 193.731 19.7991 193.732 -240.42 117.017 19.7999 117.016 -53.021 GPRESSURE: 3376600 -193.09 268.594 -21.0773 119.868 -196.221 45.4815 -50.7323 248.673 -78.667 PRESSAVG: 3376600 -35.8287 -19.1908 -3.7205 -19.1908 69.7805 9.75214 -3.72051 9.75206 10.5538 GPRESSAVG: 3376600 -34.787 -19.0843 -4.1308 -18.9892 69.1514 9.40578 -6.05216 11.1338 10.1412 TIMING: 3376600 CPU: 10667, 0.00322212/step Wall: 10667, 0.00322212/step, 1.453 hours remaining, 236.570312 MB of memory in use. ENERGY: 3376600 4038.8175 20571.2756 14457.9829 249.0809 -203235.9492 2361.9627 0.0000 0.0000 51988.1213 -109568.7083 298.7764 -161556.8296 -109202.5504 298.8106 -182.0501 -155.9927 762506.4254 14.8352 14.8352 PRESSURE: 3376800 -130.661 88.7885 63.1756 88.7888 -177.562 -321.07 63.1754 -321.07 -32.2291 GPRESSURE: 3376800 -134.98 66.3911 89.4917 125.253 -127.194 -264.933 86.1435 -166.365 -1.61789 PRESSAVG: 3376800 -46.8415 43.3883 19.3399 43.3883 31.8738 -26.1739 19.3399 -26.1739 19.8406 GPRESSAVG: 3376800 -48.2576 43.1082 18.768 43.8019 33.7979 -26.4749 20.7552 -25.3768 19.6812 TIMING: 3376800 CPU: 10667.6, 0.00319393/step Wall: 10667.6, 0.00319393/step, 1.44011 hours remaining, 236.570312 MB of memory in use. ENERGY: 3376800 4027.8834 20437.3060 14458.0824 238.2471 -203394.0799 2662.7880 0.0000 0.0000 51961.4582 -109608.3148 298.6232 -161569.7729 -109247.1816 298.6222 -113.4840 -87.9307 763348.8052 1.6243 1.7405 PRESSURE: 3377000 -91.0738 57.2764 -31.2515 57.2764 -398.935 -247.743 -31.2518 -247.742 -77.1432 GPRESSURE: 3377000 -113.946 81.8415 -8.94524 94.5651 -377.433 -233.005 -193.434 -233.184 -13.7514 PRESSAVG: 3377000 9.40338 9.96667 16.4054 9.96663 -24.3565 -19.2996 16.4054 -19.2995 -13.2326 GPRESSAVG: 3377000 10.5833 9.38424 16.2688 10.3635 -25.272 -19.9294 15.7954 -18.8148 -13.5051 TIMING: 3377000 CPU: 10668.2, 0.00318966/step Wall: 10668.2, 0.00318966/step, 1.438 hours remaining, 236.570312 MB of memory in use. ENERGY: 3377000 4016.3272 20505.8361 14427.4544 221.4289 -202897.0414 2133.4200 0.0000 0.0000 52191.5728 -109401.0020 299.9457 -161592.5748 -109044.4849 299.1852 -189.0506 -168.3768 764563.5013 -9.3952 -9.3979 PRESSURE: 3377200 -390.337 -292.365 186.011 -292.365 327.647 100.742 186.01 100.742 -412.035 GPRESSURE: 3377200 -310.662 -256.679 184.305 -244.924 274.061 85.804 86.6827 165.596 -339.12 PRESSAVG: 3377200 8.83917 -66.3582 46.9865 -66.3581 -29.1319 36.7061 46.9865 36.7061 3.72143 GPRESSAVG: 3377200 7.6651 -67.413 48.7856 -66.336 -29.6085 37.8725 47.1777 36.3342 4.6983 TIMING: 3377200 CPU: 10668.9, 0.00314865/step Wall: 10668.9, 0.00314865/step, 1.41934 hours remaining, 236.570312 MB of memory in use. ENERGY: 3377200 3927.1999 20467.2383 14443.8074 236.8682 -203261.2215 2683.8358 0.0000 0.0000 51932.9604 -109569.3115 298.4594 -161502.2719 -109213.0450 299.1648 -158.2416 -125.2400 764536.4562 -5.5238 -5.7484 PRESSURE: 3377400 -71.3807 -170.941 200.539 -170.941 -0.650849 149.585 200.54 149.586 -188.519 GPRESSURE: 3377400 11.2906 -182.196 342.633 -102.877 -65.5687 217.922 49.2097 39.2783 -136.279 PRESSAVG: 3377400 -39.1671 -70.3342 47.0866 -70.3342 37.7002 0.80504 47.0865 0.805081 -21.0603 GPRESSAVG: 3377400 -37.9636 -70.8087 47.237 -68.1551 36.4728 0.0461841 46.0034 0.900858 -20.9682 TIMING: 3377400 CPU: 10669.5, 0.00316291/step Wall: 10669.5, 0.00316291/step, 1.42559 hours remaining, 236.570312 MB of memory in use. ENERGY: 3377400 3866.5084 20528.3216 14442.0635 231.1606 -203577.7348 2724.0594 0.0000 0.0000 52124.2888 -109661.3325 299.5590 -161785.6214 -109312.4072 298.8585 -86.8502 -63.5190 763563.0371 -7.5091 -7.4864 PRESSURE: 3377600 42.3904 68.7592 -118.128 68.7581 262.189 108.496 -118.129 108.496 -73.4999 GPRESSURE: 3377600 82.0316 128.116 -138.23 14.8614 282.248 -38.7167 -151.972 58.6779 -45.1781 PRESSAVG: 3377600 -11.5034 -59.3156 -33.4024 -59.3155 34.1491 -6.4164 -33.4025 -6.41646 4.03076 GPRESSAVG: 3377600 -12.0796 -58.3327 -34.2224 -61.4538 34.3143 -6.13261 -31.7185 -6.72974 4.82423 TIMING: 3377600 CPU: 10670.1, 0.00316753/step Wall: 10670.1, 0.00316753/step, 1.4275 hours remaining, 236.570312 MB of memory in use. ENERGY: 3377600 3903.6653 20465.7269 14475.5599 243.5035 -203272.2424 2272.5697 0.0000 0.0000 52022.4712 -109888.7460 298.9739 -161911.2172 -109530.9419 298.3150 77.0264 106.3671 759376.6042 8.8921 9.0196 PRESSURE: 3377800 81.4711 -188.327 -153.591 -188.327 435.537 -17.9066 -153.592 -17.9056 548.788 GPRESSURE: 3377800 153.483 -153.304 -192.099 -121.057 458.947 -10.0654 -42.2374 22.6816 542.426 PRESSAVG: 3377800 -88.6901 14.6524 -3.34785 14.6525 26.2381 25.3136 -3.34786 25.3136 -18.0262 GPRESSAVG: 3377800 -88.2119 15.691 -4.76633 14.4108 27.8325 23.5187 -3.01228 26.83 -20.0142 TIMING: 3377800 CPU: 10670.8, 0.00316602/step Wall: 10670.8, 0.00316602/step, 1.42664 hours remaining, 236.570312 MB of memory in use. ENERGY: 3377800 3905.8250 20316.6519 14381.8723 259.8598 -203487.2770 2633.8374 0.0000 0.0000 52041.6207 -109947.6099 299.0839 -161989.2305 -109596.1749 298.3624 355.2656 384.9518 761962.7591 -26.8261 -26.7979 PRESSURE: 3378000 60.9611 -4.03631 -245.3 -4.03666 -61.0228 87.5202 -245.3 87.5182 306.046 GPRESSURE: 3378000 109.161 -28.6261 -301.189 -32.9684 0.743341 56.4488 -165.167 67.6786 278.251 PRESSAVG: 3378000 -30.6692 -51.0884 5.71433 -51.0884 38.7743 -32.9733 5.71442 -32.9733 -8.39971 GPRESSAVG: 3378000 -30.9975 -51.8585 6.53726 -50.1679 38.251 -32.2823 7.63953 -34.6936 -7.23321 TIMING: 3378000 CPU: 10671.4, 0.00318884/step Wall: 10671.4, 0.00318884/step, 1.43675 hours remaining, 236.570312 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: 3378000 3909.1822 20370.6681 14421.2894 247.5220 -202975.2436 2182.8258 0.0000 0.0000 51798.1015 -110045.6547 297.6844 -161843.7561 -109682.2452 297.7972 101.9947 129.3850 760439.3107 -0.0982 0.0067 PRESSURE: 3378200 -25.8222 254.221 168.651 254.222 -212.62 56.1586 168.65 56.158 -243.161 GPRESSURE: 3378200 -66.3997 189.732 63.268 135.595 -146.83 53.3378 129.442 62.6244 -170.285 PRESSAVG: 3378200 75.4502 1.39369 -6.43514 1.39371 -59.676 -37.8818 -6.43516 -37.8819 -20.9165 GPRESSAVG: 3378200 76.4656 0.686065 -5.82916 -1.79327 -59.617 -36.3064 -8.68161 -35.2908 -21.6065 TIMING: 3378200 CPU: 10672.1, 0.00319156/step Wall: 10672.1, 0.00319156/step, 1.4378 hours remaining, 236.570312 MB of memory in use. ENERGY: 3378200 3983.4232 20284.5448 14466.3305 236.6531 -203257.8187 2371.4770 0.0000 0.0000 51872.1452 -110043.2449 298.1099 -161915.3901 -109691.8989 297.7642 -160.5345 -127.8383 760878.6308 -1.7141 -1.5860 PRESSURE: 3378400 79.4626 -24.7093 -83.804 -24.709 -189.098 -104.562 -83.8042 -104.562 288.584 GPRESSURE: 3378400 135.331 105.784 -94.1912 -84.1427 -165.023 -4.36634 -213.609 -129.666 310.525 PRESSAVG: 3378400 61.5875 13.7356 14.5629 13.7356 -49.6498 18.4804 14.5629 18.4803 7.80396 GPRESSAVG: 3378400 60.1394 15.944 14.0459 15.207 -49.1566 18.2814 13.8893 15.9899 9.09696 TIMING: 3378400 CPU: 10672.7, 0.00315967/step Wall: 10672.7, 0.00315967/step, 1.42326 hours remaining, 236.570312 MB of memory in use. ENERGY: 3378400 3893.3325 20249.4351 14497.4838 250.8240 -203649.2835 2875.2199 0.0000 0.0000 52025.2317 -109857.7564 298.9897 -161882.9882 -109496.4338 298.3095 59.6494 93.6113 761051.3183 6.5806 6.6933 PRESSURE: 3378600 -107.459 73.5753 47.5583 73.5752 -65.2628 207.153 47.5581 207.153 -5.93361 GPRESSURE: 3378600 -103.512 66.7802 35.4127 0.135276 -76.2032 118.235 -89.8177 283.974 82.5745 PRESSAVG: 3378600 -10.7151 67.0049 -35.073 67.0049 -27.4867 17.8951 -35.073 17.895 -21.5048 GPRESSAVG: 3378600 -10.549 64.6749 -33.9241 68.548 -27.0763 17.404 -38.5271 20.3296 -22.6204 TIMING: 3378600 CPU: 10673.3, 0.00317724/step Wall: 10673.3, 0.00317724/step, 1.43099 hours remaining, 236.570312 MB of memory in use. ENERGY: 3378600 3972.2525 20370.3410 14385.0731 247.6194 -203457.8280 2526.5271 0.0000 0.0000 51962.1614 -109993.8535 298.6273 -161956.0150 -109639.3339 298.1266 -59.5520 -32.3804 761633.8256 -19.9022 -20.0819 PRESSURE: 3378800 -91.0829 50.2529 -217.117 50.2527 56.472 -36.9868 -217.117 -36.9858 -217.486 GPRESSURE: 3378800 -45.4797 -12.6121 -190.043 134.196 34.9539 -10.88 -180.829 1.46989 -158.223 PRESSAVG: 3378800 20.0123 -58.8846 -22.7099 -58.8846 -1.29969 -1.93889 -22.7099 -1.93889 -1.27475 GPRESSAVG: 3378800 21.2406 -59.0712 -23.19 -59.6159 -2.79755 -2.39569 -19.4302 -2.04345 -0.846907 TIMING: 3378800 CPU: 10674, 0.00320024/step Wall: 10674, 0.00320024/step, 1.44117 hours remaining, 236.570312 MB of memory in use. ENERGY: 3378800 3907.2929 20593.8093 14421.0928 252.0865 -203485.3984 2599.0083 0.0000 0.0000 51824.8224 -109887.2861 297.8380 -161712.1085 -109526.2707 298.1288 -84.0325 -56.2497 760871.0328 5.8126 5.8654 PRESSURE: 3379000 -296.939 -71.6495 79.1263 -71.6503 -347.102 125.857 79.1259 125.857 221.432 GPRESSURE: 3379000 -223.466 61.5286 106.729 -171.939 -369.53 172.666 -131.84 63.859 252.139 PRESSAVG: 3379000 -20.5119 -21.6965 4.02459 -21.6965 -4.7747 51.7415 4.02454 51.7414 -13.4055 GPRESSAVG: 3379000 -20.782 -20.431 4.25938 -21.3738 -4.97172 52.3211 3.03898 51.5815 -12.2485 TIMING: 3379000 CPU: 10674.6, 0.00318926/step Wall: 10674.6, 0.00318926/step, 1.43605 hours remaining, 236.558594 MB of memory in use. ENERGY: 3379000 4062.8674 20424.7311 14495.7630 215.1714 -203336.2129 2293.8952 0.0000 0.0000 52293.0425 -109550.7424 300.5288 -161843.7849 -109184.3364 298.8820 -140.8695 -113.6190 760639.3145 -12.8974 -12.6674 PRESSURE: 3379200 13.8329 -42.9425 88.9628 -42.9426 129.707 192.63 88.963 192.63 -384.675 GPRESSURE: 3379200 -3.56297 -24.9307 -19.6335 7.05427 200.546 254.252 46.3794 155.906 -348.041 PRESSAVG: 3379200 -42.5636 12.3841 -21.0395 12.3841 22.7433 56.3757 -21.0396 56.3757 -7.6864 GPRESSAVG: 3379200 -43.4652 13.0166 -19.9449 12.3502 24.1976 55.2736 -22.0119 56.46 -8.74217 TIMING: 3379200 CPU: 10675.2, 0.00319496/step Wall: 10675.2, 0.00319496/step, 1.43844 hours remaining, 236.558594 MB of memory in use. ENERGY: 3379200 4051.4814 20428.2059 14429.6186 250.4692 -203778.7855 2775.0146 0.0000 0.0000 52197.6229 -109646.3729 299.9805 -161843.9958 -109294.1846 299.3971 -80.3783 -50.3527 760934.8916 -9.1689 -9.3366 PRESSURE: 3379400 -85.1518 120.44 -98.7844 120.442 -25.9496 -155.406 -98.785 -155.406 -365.627 GPRESSURE: 3379400 3.17821 -29.1914 -42.6993 -36.1467 -54.3506 -85.2341 -144.27 -70.9577 -344.111 PRESSAVG: 3379400 64.2769 -26.1128 -11.5025 -26.1128 -9.92586 79.3178 -11.5025 79.3179 -12.3359 GPRESSAVG: 3379400 63.4563 -26.0626 -10.5393 -26.1722 -10.2265 81.3443 -11.087 78.4726 -11.7001 TIMING: 3379400 CPU: 10675.9, 0.00318616/step Wall: 10675.9, 0.00318616/step, 1.43431 hours remaining, 236.558594 MB of memory in use. ENERGY: 3379400 3975.3304 20466.7912 14477.4249 259.7748 -203140.0561 2234.7309 0.0000 0.0000 52071.7494 -109654.2545 299.2571 -161726.0038 -109287.2079 299.1153 -158.9094 -131.7612 761671.0986 14.0051 13.8432 PRESSURE: 3379600 -75.2841 102.38 2.20309 102.379 28.6937 121.275 2.20293 121.276 141.096 GPRESSURE: 3379600 0.768455 76.5695 80.3443 89.6097 18.0714 75.9082 -26.917 286.811 173.179 PRESSAVG: 3379600 20.363 -13.8939 -22.2661 -13.8939 -46.8259 45.9413 -22.2661 45.9413 -3.84686 GPRESSAVG: 3379600 20.9782 -14.4227 -25.4503 -14.9005 -46.3771 45.8231 -18.5954 45.2854 -4.80151 TIMING: 3379600 CPU: 10676.5, 0.00319097/step Wall: 10676.5, 0.00319097/step, 1.43629 hours remaining, 236.558594 MB of memory in use. ENERGY: 3379600 4009.0022 20476.2648 14432.2555 269.0979 -203434.8745 2580.6850 0.0000 0.0000 52046.3539 -109621.2153 299.1111 -161667.5692 -109261.4361 298.8890 31.5018 64.0062 760759.9662 -10.1033 -10.0668 PRESSURE: 3379800 215.977 -192.873 173.948 -192.872 101.031 203.911 173.948 203.91 265.855 GPRESSURE: 3379800 265.429 -92.9111 108.394 -142.44 123.23 228.306 64.0347 265.525 288.807 PRESSAVG: 3379800 44.4238 36.1356 -9.77086 36.1357 -23.0421 6.19137 -9.77091 6.1914 21.2741 GPRESSAVG: 3379800 45.9946 36.5136 -8.82384 37.4256 -25.6668 5.98711 -12.5086 6.92373 22.247 TIMING: 3379800 CPU: 10677.1, 0.00315602/step Wall: 10677.1, 0.00315602/step, 1.42039 hours remaining, 236.546875 MB of memory in use. ENERGY: 3379800 4041.7295 20453.8108 14526.6121 237.8080 -203317.5715 2722.5408 0.0000 0.0000 51733.4223 -109601.6480 297.3127 -161335.0703 -109253.7109 299.1698 194.2879 225.8219 761576.6107 14.2186 14.1916 PRESSURE: 3380000 117.615 -123.195 120.077 -123.195 -194.899 -128.149 120.077 -128.148 415.076 GPRESSURE: 3380000 105.197 -187.753 55.2528 -43.3582 -114.412 -210.684 98.3455 -10.0661 427.121 PRESSAVG: 3380000 0.970382 14.1123 -7.67588 14.1124 -18.8176 87.8882 -7.67592 87.8882 8.56609 GPRESSAVG: 3380000 -0.44658 12.9816 -7.57857 13.9385 -17.5646 88.0397 -7.07254 86.922 8.23853 TIMING: 3380000 CPU: 10677.8, 0.00320491/step Wall: 10677.8, 0.00320491/step, 1.44221 hours remaining, 236.546875 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: 3380000 3947.1900 20514.8615 14433.7923 231.9495 -203176.7024 2479.3932 0.0000 0.0000 52164.9789 -109404.5370 299.7929 -161569.5159 -109041.7208 299.3509 112.5971 139.3017 761550.0012 -3.0937 -3.2576 PRESSURE: 3380200 -444.323 -89.0778 222.372 -89.0776 -105.552 -53.5321 222.372 -53.533 -292.656 GPRESSURE: 3380200 -455.346 -144.577 213.936 -92.1509 -86.045 12.0855 151.976 -70.998 -218.367 PRESSAVG: 3380200 -14.9237 7.90435 -15.0247 7.9043 25.562 48.3134 -15.0246 48.3135 3.27388 GPRESSAVG: 3380200 -15.3464 9.48728 -17.0853 7.17142 26.0389 48.5482 -14.1403 48.0705 2.4452 TIMING: 3380200 CPU: 10678.4, 0.00318148/step Wall: 10678.4, 0.00318148/step, 1.43149 hours remaining, 236.558594 MB of memory in use. ENERGY: 3380200 4032.0441 20518.8488 14471.6653 238.2610 -203066.0669 2355.9191 0.0000 0.0000 51849.3735 -109599.9551 297.9791 -161449.3287 -109250.1833 299.5053 -280.8438 -253.2524 759869.2355 4.6374 4.3792 LDB: ============= START OF LOAD BALANCING ============== 10691 LDB: ============== END OF LOAD BALANCING =============== 10691 LDB: =============== DONE WITH MIGRATION ================ 10691 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 10691.3 LDB: Largest compute 7034 load 0.031730 is 16.2% of average load 0.195618 LDB: Average compute 0.004348 is 2.2% of average load 0.195618 LDB: TIME 10691.3 LOAD: AVG 0.195618 MAX 0.212859 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 10691.3 LOAD: AVG 0.195618 MAX 0.212859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: TIME 10691.3 LOAD: AVG 0.195618 MAX 0.212859 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: ============== END OF LOAD BALANCING =============== 10691.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10691.3 PRESSURE: 3380400 141.453 141.369 -186.031 141.369 -6.08103 59.2826 -186.031 59.2824 108.866 GPRESSURE: 3380400 123.178 126.671 -156.763 238.842 14.6356 56.9759 -180.995 197.108 221.178 PRESSAVG: 3380400 -42.5627 9.09805 16.3101 9.0981 74.5196 -21.1967 16.3101 -21.1966 21.5094 GPRESSAVG: 3380400 -42.0548 9.251 16.9038 11.4559 73.6768 -20.9571 14.8194 -20.3435 21.5789 TIMING: 3380400 CPU: 10679.1, 0.00323641/step Wall: 10679.1, 0.00323641/step, 1.45602 hours remaining, 236.304688 MB of memory in use. ENERGY: 3380400 3990.4596 20444.3009 14470.7599 237.7515 -203631.9063 2792.0963 0.0000 0.0000 52266.2454 -109430.2926 300.3748 -161696.5381 -109063.2657 299.6807 81.4126 119.6637 758634.6556 17.8221 17.7336 PRESSURE: 3380600 -597.924 135.334 74.7753 135.334 -141.749 133.79 74.7755 133.791 10.537 GPRESSURE: 3380600 -549.124 96.1894 66.136 216.683 -103.001 -34.9839 130.581 48.1746 4.49613 PRESSAVG: 3380600 -34.4034 0.106475 -8.27322 0.106478 29.6849 -9.96727 -8.27328 -9.9673 -13.3566 GPRESSAVG: 3380600 -34.3033 -0.826342 -6.55763 -1.91574 28.8395 -10.7481 -6.94684 -10.1588 -12.8227 TIMING: 3380600 CPU: 10679.7, 0.0031623/step Wall: 10679.7, 0.0031623/step, 1.42251 hours remaining, 236.765625 MB of memory in use. ENERGY: 3380600 4043.3271 20585.6390 14515.1791 255.6289 -203129.2787 2190.7725 0.0000 0.0000 52254.2614 -109284.4706 300.3060 -161538.7320 -108918.0231 300.0522 -243.0452 -215.8763 761349.9135 -6.0250 -6.0955 PRESSURE: 3380800 -123.806 -94.8623 82.782 -94.8627 -102.079 309.787 82.7816 309.786 255.994 GPRESSURE: 3380800 -62.3476 40.7706 119.244 -49.6086 -135.366 314.366 54.0514 309.592 292.268 PRESSAVG: 3380800 -5.30906 -16.6704 39.4932 -16.6704 41.0003 13.9179 39.4932 13.9178 -4.00709 GPRESSAVG: 3380800 -3.85668 -15.8553 39.5786 -15.8467 41.3128 12.6419 37.9776 13.2505 -5.67826 TIMING: 3380800 CPU: 10680.3, 0.00316271/step Wall: 10680.3, 0.00316271/step, 1.42252 hours remaining, 236.765625 MB of memory in use. ENERGY: 3380800 4046.0427 20518.9663 14543.2303 222.8874 -203126.6405 2367.1742 0.0000 0.0000 52017.6140 -109410.7256 298.9459 -161428.3396 -109044.8123 299.7854 10.0363 31.5183 760112.7783 10.5614 10.5926 PRESSURE: 3381000 -391.684 -201.622 27.4965 -201.621 64.4069 -311.783 27.497 -311.782 -219.046 GPRESSURE: 3381000 -347.503 -259.606 61.8903 -282.984 87.5665 -228.519 70.3122 -163.312 -198.33 PRESSAVG: 3381000 1.00748 -62.0387 -31.6842 -62.0386 21.8956 4.7619 -31.6841 4.76186 -4.51434 GPRESSAVG: 3381000 0.0925038 -63.2085 -31.8288 -62.944 21.9187 6.75169 -31.9664 6.77166 -3.40304 TIMING: 3381000 CPU: 10681, 0.00317355/step Wall: 10681, 0.00317355/step, 1.42722 hours remaining, 236.765625 MB of memory in use. ENERGY: 3381000 3912.6547 20623.1345 14447.7405 251.8443 -203084.6644 2490.3387 0.0000 0.0000 51876.6746 -109482.2771 298.1360 -161358.9516 -109122.5004 298.8549 -182.1077 -152.7555 763362.5788 6.1296 6.2027 PRESSURE: 3381200 -468.111 -25.3091 -46.647 -25.3086 247.657 -3.22709 -46.6461 -3.22787 -91.686 GPRESSURE: 3381200 -341.561 28.1813 -123.784 56.2235 243.094 98.0427 -169.477 -41.8696 -128.862 PRESSAVG: 3381200 -86.1738 -10.5703 -46.2214 -10.5703 60.4844 38.6625 -46.2214 38.6625 -13.4429 GPRESSAVG: 3381200 -87.3449 -9.29043 -46.5205 -11.1846 60.5478 38.6584 -44.827 38.8696 -12.6069 TIMING: 3381200 CPU: 10681.6, 0.00317593/step Wall: 10681.6, 0.00317593/step, 1.42811 hours remaining, 236.765625 MB of memory in use. ENERGY: 3381200 3961.9816 20467.3920 14458.2017 238.3984 -202811.7524 2291.7156 0.0000 0.0000 51778.3590 -109615.7041 297.5709 -161394.0631 -109247.1844 298.3005 -104.0466 -75.7761 763671.4480 -13.0441 -13.1347 PRESSURE: 3381400 -239.83 -40.5229 -20.4763 -40.5225 168.051 -86.6088 -20.4765 -86.6095 172.958 GPRESSURE: 3381400 -219.422 -4.09404 48.3954 -19.9119 152.347 -150.201 24.0762 -40.3584 262.981 PRESSAVG: 3381400 -23.2703 -48.3549 31.1417 -48.3549 28.3817 14.1216 31.1417 14.1217 -5.71957 GPRESSAVG: 3381400 -23.0511 -47.9102 31.4302 -47.3095 27.3092 13.0857 29.6647 12.3994 -5.16028 TIMING: 3381400 CPU: 10682.2, 0.00319207/step Wall: 10682.2, 0.00319207/step, 1.43519 hours remaining, 236.765625 MB of memory in use. ENERGY: 3381400 3997.5478 20432.7016 14432.2590 235.3914 -203066.0030 2373.2698 0.0000 0.0000 51749.9450 -109844.8885 297.4076 -161594.8334 -109477.4506 298.8735 33.7264 65.3020 761302.1890 -0.2027 -0.3007 PRESSURE: 3381600 -218.35 -12.1491 195.773 -12.1495 384.077 112.53 195.773 112.529 -152.115 GPRESSURE: 3381600 -48.378 106.19 235.879 -73.5647 233.406 77.5867 105.68 111.088 -110.285 PRESSAVG: 3381600 -6.11739 -43.6876 19.0718 -43.6876 -7.7613 5.17957 19.0718 5.17961 1.07995 GPRESSAVG: 3381600 -5.54288 -44.9779 19.8682 -45.3728 -7.06861 4.92207 19.4769 6.72321 -0.601338 TIMING: 3381600 CPU: 10682.9, 0.00319162/step Wall: 10682.9, 0.00319162/step, 1.43481 hours remaining, 236.765625 MB of memory in use. ENERGY: 3381600 4056.9880 20542.0835 14456.1979 238.7609 -203138.7789 2403.3117 0.0000 0.0000 51809.9525 -109631.4843 297.7525 -161441.4368 -109270.6314 298.4767 4.5372 24.9142 762273.4750 -4.2662 -4.4043 PRESSURE: 3381800 225.776 19.4658 -136.426 19.4662 -21.6558 58.8833 -136.426 58.8837 -78.7361 GPRESSURE: 3381800 159.206 106.659 -219.416 19.8382 99.5602 91.4199 -79.3496 -50.4632 -47.2862 PRESSAVG: 3381800 29.6384 -8.53136 -36.2269 -8.53134 -32.9665 -0.744705 -36.2269 -0.744705 10.6759 GPRESSAVG: 3381800 27.9006 -7.55258 -36.3747 -9.9448 -31.9532 0.410732 -38.6802 -2.65595 11.8565 TIMING: 3381800 CPU: 10683.5, 0.00319021/step Wall: 10683.5, 0.00319021/step, 1.434 hours remaining, 236.765625 MB of memory in use. ENERGY: 3381800 3933.6551 20341.9833 14481.1335 238.6728 -203340.9714 2533.1780 0.0000 0.0000 52352.5275 -109459.8211 300.8707 -161812.3486 -109086.8706 298.8619 41.7946 70.4933 760182.8913 2.4493 2.6013 PRESSURE: 3382000 -193.481 -4.95525 -40.4266 -4.95522 -391.769 -2.4283 -40.4264 -2.42959 58.6326 GPRESSURE: 3382000 -140.084 -26.2788 23.9263 3.54217 -345.23 22.7133 -15.7684 57.2325 40.4488 PRESSAVG: 3382000 22.7059 -20.0901 18.7817 -20.0901 -25.8938 29.7366 18.7817 29.7365 0.0421569 GPRESSAVG: 3382000 23.2873 -20.1656 18.8493 -17.9006 -25.6544 27.1652 20.9568 33.0289 -1.30931 TIMING: 3382000 CPU: 10684.2, 0.00321881/step Wall: 10684.2, 0.00321881/step, 1.44668 hours remaining, 236.765625 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: 3382000 4109.4321 20506.0516 14450.6946 236.5675 -203233.7850 2260.6556 0.0000 0.0000 51957.9772 -109712.4063 298.6032 -161670.3836 -109361.3232 299.2844 -175.5390 -148.2882 761805.6835 -1.0486 -1.2255 PRESSURE: 3382200 -217.432 -168.692 17.1034 -168.691 -340.217 0.11166 17.1029 0.112205 -200.253 GPRESSURE: 3382200 -145.056 -217.542 -53.4055 -112.176 -346.429 13.2286 48.4695 46.4604 -163.294 PRESSAVG: 3382200 45.5968 -65.4171 39.174 -65.4171 -76.2062 -33.2242 39.1739 -33.2242 10.1208 GPRESSAVG: 3382200 45.2444 -64.199 37.2053 -67.0996 -77.1707 -31.5151 41.659 -33.9577 11.5147 TIMING: 3382200 CPU: 10684.8, 0.00317756/step Wall: 10684.8, 0.00317755/step, 1.42796 hours remaining, 236.765625 MB of memory in use. ENERGY: 3382200 3996.3927 20540.3981 14485.9409 243.7167 -203439.7633 2481.4351 0.0000 0.0000 52030.0342 -109661.8456 299.0173 -161691.8798 -109308.2754 298.7143 -252.6340 -218.2597 761713.0645 -6.8295 -6.8039 PRESSURE: 3382400 342.98 1.01025 322.495 1.01043 18.8614 -24.1757 322.495 -24.1755 -131.312 GPRESSURE: 3382400 381.794 6.31538 318.326 169.268 21.0219 -143.814 246.714 74.5647 -121.293 PRESSAVG: 3382400 47.003 -47.9199 40.6338 -47.9199 -72.4821 -7.0686 40.6338 -7.06857 -5.86776 GPRESSAVG: 3382400 47.4971 -49.4239 42.3341 -45.9274 -71.6719 -6.37129 39.3581 -7.01069 -7.4353 TIMING: 3382400 CPU: 10685.4, 0.00318062/step Wall: 10685.4, 0.00318062/step, 1.42916 hours remaining, 236.765625 MB of memory in use. ENERGY: 3382400 4009.9172 20597.2428 14416.3060 220.0625 -203050.4047 2464.6874 0.0000 0.0000 51944.8315 -109397.3573 298.5277 -161342.1888 -109036.2860 299.3136 76.8433 93.8407 761833.7702 -10.4490 -10.5367 PRESSURE: 3382600 -71.3918 -51.6043 79.401 -51.6048 -229.828 -38.9348 79.4005 -38.9354 -111.277 GPRESSURE: 3382600 -19.2768 77.3387 120.189 -126.472 -199.682 -25.4445 -6.08409 -152.513 -118.908 PRESSAVG: 3382600 43.1197 -36.0842 -37.9898 -36.0842 -45.7703 -61.5352 -37.9898 -61.5351 -5.50838 GPRESSAVG: 3382600 43.7863 -37.0367 -38.8152 -34.1307 -47.8855 -61.7595 -37.7601 -62.0056 -3.75746 TIMING: 3382600 CPU: 10686.1, 0.00321583/step Wall: 10686.1, 0.00321583/step, 1.4448 hours remaining, 236.765625 MB of memory in use. ENERGY: 3382600 4012.2185 20387.9239 14423.2358 240.5908 -202602.3987 2111.7528 0.0000 0.0000 52011.2915 -109415.3854 298.9096 -161426.6770 -109051.5303 299.5225 -137.4989 -112.6223 761389.2239 -2.7197 -2.6189 PRESSURE: 3382800 -406.595 48.8788 -93.9297 48.8788 -295.351 -57.3463 -93.9292 -57.3463 -502.095 GPRESSURE: 3382800 -350.306 182.135 -62.7888 -34.3229 -268.256 -2.23966 -215.265 -192.823 -497.897 PRESSAVG: 3382800 59.2832 -5.69022 1.86276 -5.69018 -44.1858 -9.29624 1.86282 -9.29611 -3.88558 GPRESSAVG: 3382800 57.8301 -5.13286 3.59328 -9.44515 -42.92 -8.76393 0.551729 -8.60547 -4.1178 TIMING: 3382800 CPU: 10686.7, 0.00320075/step Wall: 10686.7, 0.00320075/step, 1.43785 hours remaining, 236.765625 MB of memory in use. ENERGY: 3382800 3935.9121 20288.5193 14512.9947 249.3206 -203263.1831 2399.6349 0.0000 0.0000 52340.0994 -109536.7020 300.7993 -161876.8015 -109159.0657 299.2971 -401.3468 -372.1528 760267.5267 3.7373 3.5975 PRESSURE: 3383000 197.472 184.014 -221.823 184.015 41.5045 -144.831 -221.824 -144.831 214.382 GPRESSURE: 3383000 271.929 255.088 -181.415 73.6088 75.9871 -176.607 -174.936 0.139958 200.292 PRESSAVG: 3383000 86.9508 -15.4802 -35.5652 -15.4802 -78.0603 12.9714 -35.5652 12.9715 -16.2002 GPRESSAVG: 3383000 88.2398 -16.0007 -37.4662 -15.5018 -78.787 13.0447 -32.1967 12.9575 -16.5315 TIMING: 3383000 CPU: 10687.4, 0.00317613/step Wall: 10687.4, 0.00317613/step, 1.42661 hours remaining, 236.765625 MB of memory in use. ENERGY: 3383000 3945.3881 20369.2748 14509.7896 247.9117 -203250.1154 2564.5849 0.0000 0.0000 52233.5528 -109379.6135 300.1869 -161613.1663 -109014.1426 299.0039 151.1193 182.7359 759457.4630 -2.4366 -2.3596 PRESSURE: 3383200 305.167 188.671 60.9676 188.672 39.7642 10.9981 60.9677 10.9974 241.825 GPRESSURE: 3383200 286.641 147.754 -16.7939 194.316 141.302 35.0771 114.87 55.0499 247.248 PRESSAVG: 3383200 17.2166 15.8668 -26.5732 15.8667 22.4246 12.5557 -26.5733 12.5557 10.3552 GPRESSAVG: 3383200 17.3831 14.1533 -27.3528 18.3474 22.7608 11.1191 -27.1398 12.7867 10.1854 TIMING: 3383200 CPU: 10688, 0.00317765/step Wall: 10688, 0.00317765/step, 1.42712 hours remaining, 236.765625 MB of memory in use. ENERGY: 3383200 3970.2189 20519.9056 14406.6028 232.1606 -203402.3453 2450.7930 0.0000 0.0000 52152.3447 -109670.3197 299.7202 -161822.6644 -109313.1808 299.0957 195.5856 225.0637 760235.9601 16.6655 16.7764 PRESSURE: 3383400 -252.382 109.907 -132.796 109.907 -477.429 243.918 -132.796 243.918 -427.344 GPRESSURE: 3383400 -227.842 67.4653 -3.97887 59.4845 -433.858 167.479 -135.526 106.039 -401.817 PRESSAVG: 3383400 -4.4021 -34.3678 1.79623 -34.3679 11.6008 42.4208 1.79624 42.4208 22.929 GPRESSAVG: 3383400 -4.97265 -32.2563 3.18006 -36.1364 11.0663 43.2086 0.778305 42.0497 23.1842 TIMING: 3383400 CPU: 10688.6, 0.00317795/step Wall: 10688.6, 0.00317795/step, 1.42708 hours remaining, 236.765625 MB of memory in use. ENERGY: 3383400 4085.2531 20515.3592 14382.3881 235.7248 -203271.6637 2433.7146 0.0000 0.0000 51992.3007 -109626.9233 298.8005 -161619.2241 -109274.8944 299.0440 -385.7187 -354.5054 762111.7337 10.0426 9.7593 PRESSURE: 3383600 148.341 -113.564 -128.832 -113.564 -262.833 78.1798 -128.831 78.1797 158.693 GPRESSURE: 3383600 339.007 -109.657 -164.106 -146.018 -330.236 36.652 -92.4656 66.0509 123.654 PRESSAVG: 3383600 -32.0527 -7.55227 0.0949163 -7.55231 14.627 -32.3412 0.0949644 -32.3412 -3.85596 GPRESSAVG: 3383600 -30.2354 -7.75828 1.06478 -6.7538 15.1626 -33.089 -3.27198 -32.5253 -5.50032 TIMING: 3383600 CPU: 10689.3, 0.00317804/step Wall: 10689.3, 0.00317804/step, 1.42694 hours remaining, 236.765625 MB of memory in use. ENERGY: 3383600 3910.1282 20590.8395 14410.1101 241.9536 -202980.1703 2292.7229 0.0000 0.0000 51997.2212 -109537.1948 298.8287 -161534.4160 -109186.0749 298.9462 14.7338 44.1416 761069.3373 -7.0939 -6.8577 PRESSURE: 3383800 105.494 27.56 108.603 27.5603 -250.119 -189.49 108.603 -189.49 -45.2352 GPRESSURE: 3383800 107.612 20.7694 127.957 -23.0744 -241.181 -252.683 4.73917 -147.861 19.0823 PRESSAVG: 3383800 69.2687 2.54838 -16.164 2.54842 -24.3046 -14.05 -16.164 -14.05 -11.2503 GPRESSAVG: 3383800 67.0886 3.002 -16.7415 1.57102 -23.741 -13.6616 -13.5062 -14.4401 -9.70546 TIMING: 3383800 CPU: 10689.9, 0.00318682/step Wall: 10689.9, 0.00318682/step, 1.43071 hours remaining, 236.765625 MB of memory in use. ENERGY: 3383800 4006.5087 20518.0982 14477.1457 232.3969 -202953.6013 2538.8048 0.0000 0.0000 51880.4206 -109300.2264 298.1575 -161180.6470 -108946.5066 299.3470 -63.2870 -38.1622 762288.0708 11.2379 11.2141 PRESSURE: 3384000 190.157 -153.589 -143.554 -153.589 -177.993 -172.121 -143.554 -172.121 12.6 GPRESSURE: 3384000 209.176 -196.502 -184.039 -144.939 -98.1735 -118.677 -97.1107 -200.964 -34.7454 PRESSAVG: 3384000 4.65333 -10.0917 0.713177 -10.0917 -16.232 13.8561 0.713195 13.8562 -3.26568 GPRESSAVG: 3384000 5.50911 -13.4018 0.107531 -8.11498 -15.9951 13.3387 1.77682 14.4461 -3.95856 TIMING: 3384000 CPU: 10690.5, 0.00318803/step Wall: 10690.5, 0.00318803/step, 1.43107 hours remaining, 236.765625 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: 3384000 3946.1748 20445.0157 14438.4509 238.6915 -202941.1608 2436.9598 0.0000 0.0000 52268.7563 -109167.1119 300.3893 -161435.8681 -108800.3910 299.4050 8.2545 25.4191 761104.1448 -4.9481 -4.8148 PRESSURE: 3384200 224.176 -80.6772 -225.32 -80.6766 -120.151 -120.723 -225.322 -120.724 -244.708 GPRESSURE: 3384200 244.709 -94.3413 -188.708 -48.9304 -84.1274 -105.159 -139.715 -91.3768 -211.079 PRESSAVG: 3384200 -43.7868 -70.8743 -30.193 -70.8743 -1.51 2.43825 -30.193 2.43822 17.3339 GPRESSAVG: 3384200 -44.2205 -67.7473 -31.1067 -73.4296 -1.4176 4.06717 -31.3336 0.765206 17.4628 TIMING: 3384200 CPU: 10691.2, 0.00323049/step Wall: 10691.2, 0.00323049/step, 1.44995 hours remaining, 236.765625 MB of memory in use. ENERGY: 3384200 4005.3061 20526.0847 14420.9556 257.9987 -202827.8026 2357.5235 0.0000 0.0000 52131.0134 -109128.9206 299.5977 -161259.9340 -108757.5705 300.0420 -46.8943 -16.8323 761724.6934 -9.3210 -9.3918 LDB: ============= START OF LOAD BALANCING ============== 10703.7 LDB: ============== END OF LOAD BALANCING =============== 10703.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10703.7 LDB: ============= START OF LOAD BALANCING ============== 10704 LDB: Largest compute 7034 load 0.034086 is 17.4% of average load 0.195644 LDB: Average compute 0.004374 is 2.2% of average load 0.195644 LDB: TIME 10704 LOAD: AVG 0.195644 MAX 0.216149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.82 MB LDB: TIME 10704 LOAD: AVG 0.195644 MAX 0.216149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: TIME 10704 LOAD: AVG 0.195644 MAX 0.216149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.82 MB LDB: ============== END OF LOAD BALANCING =============== 10704 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10704 PRESSURE: 3384400 -209.185 -59.0316 274.506 -59.0318 -300.612 -77.5975 274.507 -77.5957 -135.112 GPRESSURE: 3384400 -161.607 -28.5235 263.213 -0.586157 -208.749 -126.213 310.301 32.5581 -159.286 PRESSAVG: 3384400 27.1195 30.6401 3.0126 30.6401 -6.65609 -44.5935 3.0126 -44.5935 15.4091 GPRESSAVG: 3384400 28.5883 29.2871 4.87699 34.0477 -8.53649 -45.9518 4.37441 -41.7842 15.7236 TIMING: 3384400 CPU: 10691.8, 0.00326863/step Wall: 10691.8, 0.00326863/step, 1.46689 hours remaining, 236.113281 MB of memory in use. ENERGY: 3384400 4005.0256 20433.1296 14454.5951 250.4362 -202737.4343 2272.6181 0.0000 0.0000 52035.7605 -109285.8693 299.0502 -161321.6298 -108920.9335 299.9349 -214.9698 -176.5476 761115.6846 11.9575 11.9251 PRESSURE: 3384600 223.936 105.327 106.877 105.328 159.44 139.737 106.877 139.736 -177.827 GPRESSURE: 3384600 250.72 70.4488 85.4368 51.1524 201.309 109.523 119.185 75.3628 -180.839 PRESSAVG: 3384600 -11.7857 39.2707 -23.2583 39.2707 -6.92147 -48.6818 -23.2583 -48.6818 -17.5046 GPRESSAVG: 3384600 -13.4185 40.2683 -24.3502 37.6149 -5.70339 -48.9134 -23.9171 -48.4824 -17.7053 TIMING: 3384600 CPU: 10692.5, 0.00323264/step Wall: 10692.5, 0.00323264/step, 1.45056 hours remaining, 236.183594 MB of memory in use. ENERGY: 3384600 3973.6817 20531.4234 14463.4470 243.2438 -203209.0725 2478.9979 0.0000 0.0000 52308.9844 -109209.2944 300.6205 -161518.2788 -108852.9442 299.6930 68.5166 90.3969 760319.3665 -12.0706 -12.2757 PRESSURE: 3384800 133.144 -171.899 -213.536 -171.898 24.3682 16.6487 -213.536 16.6495 -75.8699 GPRESSURE: 3384800 114.603 -103.086 -202.167 -165.026 128.484 -62.5625 -219.539 20.9298 -68.0214 PRESSAVG: 3384800 -35.689 -21.6287 -5.16968 -21.6285 54.6368 -29.7874 -5.1697 -29.7872 8.66449 GPRESSAVG: 3384800 -36.1079 -21.5738 -5.07316 -22.7723 54.3283 -28.5868 -6.80161 -31.675 9.32815 TIMING: 3384800 CPU: 10693.1, 0.00320926/step Wall: 10693.1, 0.00320926/step, 1.43989 hours remaining, 236.183594 MB of memory in use. ENERGY: 3384800 4059.5049 20611.5905 14423.4692 255.1242 -203152.0508 2558.5663 0.0000 0.0000 52193.4146 -109050.3810 299.9563 -161243.7956 -108709.0543 300.1848 27.2141 58.3552 761468.3642 9.2041 9.1829 PRESSURE: 3385000 -254.906 235.698 -283.378 235.699 1.24621 -19.0069 -283.378 -19.0073 156.735 GPRESSURE: 3385000 -191.986 106.782 -313.652 66.598 30.0479 -87.3962 -170.36 -123.068 139.387 PRESSAVG: 3385000 -6.00008 -33.8269 -56.7883 -33.8267 49.7952 -29.0414 -56.7883 -29.0415 -7.20271 GPRESSAVG: 3385000 -5.20376 -33.9395 -57.1698 -33.8237 49.8298 -30.1315 -55.9248 -26.5966 -7.98668 TIMING: 3385000 CPU: 10693.8, 0.00318591/step Wall: 10693.8, 0.00318591/step, 1.42923 hours remaining, 236.183594 MB of memory in use. ENERGY: 3385000 4069.0951 20440.1865 14399.9215 271.0639 -203070.2906 2409.7872 0.0000 0.0000 52301.8235 -109178.4129 300.5793 -161480.2364 -108819.1847 300.2232 -32.3083 -7.5173 761748.5250 12.1975 12.2131 PRESSURE: 3385200 225.45 -77.6406 -41.5749 -77.6408 158.836 -167.872 -41.5757 -167.872 246.332 GPRESSURE: 3385200 266.954 -134.012 -11.3011 -128.052 193.932 -82.4411 -3.82302 -156.913 247.203 PRESSAVG: 3385200 -41.7439 22.7241 -24.5988 22.7241 37.1304 -27.0685 -24.5988 -27.0685 -0.825595 GPRESSAVG: 3385200 -41.55 20.0794 -24.7835 25.3309 35.5512 -27.4634 -24.9124 -29.6685 -0.0809755 TIMING: 3385200 CPU: 10694.4, 0.00317001/step Wall: 10694.4, 0.00317001/step, 1.42193 hours remaining, 236.183594 MB of memory in use. ENERGY: 3385200 3957.1284 20537.4602 14393.3613 272.3703 -203156.7142 2710.4809 0.0000 0.0000 52152.6373 -109133.2757 299.7219 -161285.9130 -108774.3349 300.0105 210.2061 236.0296 761082.6359 -1.8130 -2.0266 PRESSURE: 3385400 133.515 -73.2113 -327.297 -73.212 56.6585 -4.1929 -327.297 -4.19371 -395.436 GPRESSURE: 3385400 211.73 25.6341 -303.455 -10.143 93.8996 8.85488 -309.127 -10.3578 -410.875 PRESSAVG: 3385400 -5.97905 35.5738 -18.1237 35.5738 60.4537 -12.4346 -18.1237 -12.4347 3.09002 GPRESSAVG: 3385400 -5.46609 36.5448 -18.2671 34.3001 61.4861 -13.7652 -17.2437 -7.80461 1.56973 TIMING: 3385400 CPU: 10695, 0.00316532/step Wall: 10695, 0.00316532/step, 1.41964 hours remaining, 236.183594 MB of memory in use. ENERGY: 3385400 3973.4551 20516.5811 14432.0800 250.6290 -202884.3432 2328.4202 0.0000 0.0000 52140.6009 -109242.5769 299.6528 -161383.1778 -108878.0747 299.7561 -68.4208 -35.0818 761166.9311 19.1882 19.1966 PRESSURE: 3385600 -285.417 8.8776 212.02 8.87783 -34.4402 96.464 212.019 96.4642 -102.371 GPRESSURE: 3385600 -140.946 -51.3726 274.36 -31.2719 -17.4085 73.6616 139.232 140.173 -165.132 PRESSAVG: 3385600 -53.9594 -38.6966 -3.31421 -38.6966 39.2511 10.6191 -3.31424 10.6192 12.8465 GPRESSAVG: 3385600 -53.3511 -37.6485 -2.6378 -39.9825 38.5898 12.2177 -6.0135 9.35214 13.1266 TIMING: 3385600 CPU: 10695.7, 0.00317617/step Wall: 10695.7, 0.00317617/step, 1.42434 hours remaining, 236.183594 MB of memory in use. ENERGY: 3385600 4039.2581 20563.0490 14413.5349 250.0700 -203007.4704 2452.2029 0.0000 0.0000 51969.8366 -109319.5189 298.6714 -161289.3555 -108959.7913 299.9415 -140.7429 -107.8290 763251.7236 -0.6206 -0.5449 PRESSURE: 3385800 141.402 -160.779 29.0088 -160.779 280.309 -131.572 29.0082 -131.572 -23.0904 GPRESSURE: 3385800 192.306 -92.3401 68.995 -97.1145 258.189 -104.613 19.9175 -86.2633 6.90622 PRESSAVG: 3385800 7.31393 -28.8107 -18.6672 -28.8107 -1.3327 -29.6344 -18.6672 -29.6344 -5.38784 GPRESSAVG: 3385800 5.53136 -28.2168 -18.7766 -29.6407 0.030506 -29.8343 -15.9476 -30.7915 -4.75199 TIMING: 3385800 CPU: 10696.3, 0.00318572/step Wall: 10696.3, 0.00318572/step, 1.42844 hours remaining, 236.183594 MB of memory in use. ENERGY: 3385800 3964.8882 20536.4091 14508.0381 236.9095 -203303.8009 2692.2689 0.0000 0.0000 51989.5594 -109375.7276 298.7847 -161365.2871 -109014.4897 299.3979 132.8733 152.4669 763737.5979 0.1978 0.2700 PRESSURE: 3386000 353.313 -195.112 38.2257 -195.112 -65.3107 50.0726 38.2257 50.0723 -16.7158 GPRESSURE: 3386000 380.692 -62.2302 38.3207 -119.189 18.5767 60.5869 -70.6421 -50.3387 -55.9973 PRESSAVG: 3386000 -8.73188 -63.6807 -27.1614 -63.6807 -39.6403 16.5187 -27.1615 16.5188 -6.57664 GPRESSAVG: 3386000 -7.69919 -63.6993 -28.0685 -60.7658 -41.6484 16.5782 -29.5307 15.4848 -6.21696 TIMING: 3386000 CPU: 10696.9, 0.00314412/step Wall: 10696.9, 0.00314412/step, 1.40962 hours remaining, 236.183594 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: 3386000 4085.6021 20613.0284 14431.8697 242.7132 -203227.8590 2522.0035 0.0000 0.0000 51996.2786 -109336.3636 298.8233 -161332.6421 -108983.7331 299.6082 90.4289 114.4237 760635.4325 -18.3163 -18.5215 PRESSURE: 3386200 144.136 92.056 245.072 92.0557 -587.743 18.9965 245.071 18.9967 -62.6985 GPRESSURE: 3386200 89.4994 67.6511 170.787 -18.0921 -421.772 130.212 226.166 -12.7692 -93.9848 PRESSAVG: 3386200 -9.13432 10.8446 -32.7707 10.8446 37.4598 -6.31738 -32.7707 -6.31728 2.44727 GPRESSAVG: 3386200 -9.84791 10.2666 -32.7951 9.40505 38.541 -4.88752 -30.8791 -6.24344 1.7171 TIMING: 3386200 CPU: 10697.6, 0.00316519/step Wall: 10697.6, 0.00316519/step, 1.41889 hours remaining, 236.183594 MB of memory in use. ENERGY: 3386200 4027.5111 20631.9656 14463.4324 275.7346 -203113.8741 2402.0777 0.0000 0.0000 51872.0085 -109441.1443 298.1091 -161313.1528 -109083.8314 299.3529 -168.7684 -142.0857 761838.3399 10.2576 10.1367 PRESSURE: 3386400 -61.2153 -120.89 -24.9679 -120.891 -180.986 -111.056 -24.9676 -111.055 -17.3158 GPRESSURE: 3386400 22.2465 -176.839 -116.69 -75.7409 -150.074 -2.9004 46.4947 -218.597 -7.68246 PRESSAVG: 3386400 40.1396 -23.1736 -7.97204 -23.1736 -32.4634 15.445 -7.97203 15.4451 -17.3731 GPRESSAVG: 3386400 40.4417 -25.0177 -9.15703 -20.6384 -32.7596 16.1376 -9.34737 17.0102 -17.6013 TIMING: 3386400 CPU: 10698.2, 0.00321537/step Wall: 10698.2, 0.00321537/step, 1.4412 hours remaining, 236.183594 MB of memory in use. ENERGY: 3386400 4059.5272 20434.6476 14401.0787 241.0022 -203062.0014 2506.8825 0.0000 0.0000 51924.6651 -109494.1982 298.4118 -161418.8633 -109131.6250 298.8228 -86.5056 -45.1699 762259.8607 -3.2323 -3.3064 PRESSURE: 3386600 -16.2848 128.482 73.9693 128.483 123.607 149.01 73.969 149.009 170.416 GPRESSURE: 3386600 -59.9136 179.399 133.363 68.3033 149.91 67.2642 12.6922 99.4418 279.371 PRESSAVG: 3386600 27.4793 -43.2751 28.9246 -43.2752 20.4496 45.0132 28.9245 45.0132 1.17766 GPRESSAVG: 3386600 26.7932 -42.4221 30.8125 -44.3087 20.1861 42.8431 29.2233 43.791 2.33798 TIMING: 3386600 CPU: 10698.8, 0.00319037/step Wall: 10698.8, 0.00319037/step, 1.42982 hours remaining, 236.183594 MB of memory in use. ENERGY: 3386600 3916.3893 20428.0013 14429.2638 250.3893 -203091.7461 2611.8438 0.0000 0.0000 51912.7579 -109543.1007 298.3433 -161455.8586 -109185.1465 298.6820 92.5792 123.1226 761493.8601 16.3688 16.4391 PRESSURE: 3386800 13.2447 -237.238 -12.8358 -237.238 148.554 -133.851 -12.8354 -133.853 78.7884 GPRESSURE: 3386800 22.9477 -192.339 -74.6506 -224.655 113.39 -73.0576 -1.78045 -148.243 178.094 PRESSAVG: 3386800 -21.3606 -23.1153 -28.3566 -23.1153 30.7084 -6.03585 -28.3567 -6.03593 6.56292 GPRESSAVG: 3386800 -22.1907 -21.5427 -29.3442 -25.908 31.0688 -5.41753 -28.2995 -6.38686 6.31376 TIMING: 3386800 CPU: 10699.5, 0.0031699/step Wall: 10699.5, 0.0031699/step, 1.42047 hours remaining, 236.183594 MB of memory in use. ENERGY: 3386800 3880.5365 20509.6757 14460.1595 232.0646 -202930.3058 2471.0294 0.0000 0.0000 51805.4261 -109571.4140 297.7265 -161376.8401 -109219.4559 298.5625 80.1957 104.8105 761804.3080 5.3036 5.0640 PRESSURE: 3387000 5.86309 107.263 123.146 107.264 88.9284 -124.722 123.146 -124.724 252.761 GPRESSURE: 3387000 40.318 78.6882 136.509 105.634 129.834 -144.206 225.194 -11.0973 265.451 PRESSAVG: 3387000 -52.9615 -17.0026 -40.1374 -17.0027 85.9343 47.986 -40.1374 47.986 -7.62189 GPRESSAVG: 3387000 -53.0716 -18.8437 -41.0216 -16.9324 86.3527 46.6343 -37.9691 48.7006 -8.05765 TIMING: 3387000 CPU: 10700.1, 0.00322702/step Wall: 10700.1, 0.00322702/step, 1.44589 hours remaining, 236.183594 MB of memory in use. ENERGY: 3387000 3944.8702 20323.3792 14453.7312 244.9842 -203230.2846 2667.3079 0.0000 0.0000 52057.1373 -109538.8746 299.1731 -161596.0118 -109168.5255 298.9456 115.8507 145.2010 763275.0752 8.4503 8.4078 PRESSURE: 3387200 -122.01 3.58253 170.435 3.58256 -209.563 99.4589 170.434 99.4582 -273.722 GPRESSURE: 3387200 -85.2922 -12.4654 145.082 76.1718 -208.473 183.197 105.172 36.5584 -224.594 PRESSAVG: 3387200 4.84668 5.52439 28.1754 5.52435 16.2494 21.5306 28.1753 21.5306 4.6053 GPRESSAVG: 3387200 4.99047 6.70274 31.0243 5.92923 16.2642 23.472 24.3481 20.9456 4.18522 TIMING: 3387200 CPU: 10700.8, 0.00316688/step Wall: 10700.8, 0.00316688/step, 1.41876 hours remaining, 236.183594 MB of memory in use. ENERGY: 3387200 3991.9809 20546.9515 14526.1244 258.8532 -203144.4964 2426.5206 0.0000 0.0000 51975.6857 -109418.3802 298.7050 -161394.0659 -109064.8248 299.1394 -201.7650 -172.7865 763590.0037 8.5671 8.4799 PRESSURE: 3387400 48.1132 210.361 281.465 210.362 165.476 200.371 281.466 200.372 406.382 GPRESSURE: 3387400 135.32 121.662 248.458 69.0769 211.664 211.436 233.149 183.143 351.21 PRESSAVG: 3387400 34.0807 -9.41521 4.56475 -9.41522 -28.3177 34.863 4.56474 34.8629 -5.95723 GPRESSAVG: 3387400 35.1999 -9.0422 2.47164 -9.67791 -28.845 35.8318 6.1783 35.0114 -6.13026 TIMING: 3387400 CPU: 10701.4, 0.00317611/step Wall: 10701.4, 0.00317611/step, 1.42272 hours remaining, 236.183594 MB of memory in use. ENERGY: 3387400 3963.7597 20397.0146 14551.2285 251.4282 -203220.5346 2634.7869 0.0000 0.0000 51948.9654 -109473.3513 298.5514 -161422.3167 -109102.7431 299.0636 206.6570 232.7317 761606.2371 -0.0648 0.0749 PRESSURE: 3387600 -182.921 103.533 111.689 103.534 -20.0595 87.6463 111.689 87.6457 95.8002 GPRESSURE: 3387600 -199.615 115.278 90.8982 108.321 93.8593 113.036 30.7421 104.21 77.0592 PRESSAVG: 3387600 -14.4962 22.3935 19.2983 22.3935 -1.88949 0.87857 19.2982 0.878583 -11.9799 GPRESSAVG: 3387600 -14.6842 20.8305 20.1357 23.0483 -2.56674 -1.83416 18.8474 1.14439 -11.9501 TIMING: 3387600 CPU: 10702, 0.00321213/step Wall: 10702, 0.00321213/step, 1.43868 hours remaining, 236.183594 MB of memory in use. ENERGY: 3387600 3990.9346 20305.8898 14487.0607 245.3337 -203289.5719 2692.7308 0.0000 0.0000 51878.4203 -109689.2021 298.1460 -161567.6223 -109324.8564 298.5205 -35.7267 -9.5654 762585.8960 -9.4552 -9.7337 PRESSURE: 3387800 -11.1566 -89.6872 -72.2676 -89.6868 1.99241 -50.2144 -72.2678 -50.215 -72.5553 GPRESSURE: 3387800 50.2694 -98.347 -80.3397 31.5035 41.2107 -91.182 41.8683 -20.4703 -77.8692 PRESSAVG: 3387800 57.2047 -18.0893 35.1587 -18.0893 -9.09666 -13.3339 35.1587 -13.3341 -9.54208 GPRESSAVG: 3387800 57.2007 -17.0213 36.0248 -19.2327 -8.51349 -11.3623 33.5269 -12.6859 -9.48358 TIMING: 3387800 CPU: 10702.7, 0.00320861/step Wall: 10702.7, 0.00320861/step, 1.43692 hours remaining, 236.183594 MB of memory in use. ENERGY: 3387800 3994.1634 20361.8660 14467.3861 229.4983 -203541.9118 2779.8448 0.0000 0.0000 51921.4707 -109787.6826 298.3934 -161709.1533 -109424.5316 298.3356 -27.2398 4.5370 760826.2449 12.8553 13.0679 PRESSURE: 3388000 135.654 -86.8833 -151.263 -86.8835 -259.752 47.7718 -151.262 47.7725 35.2632 GPRESSURE: 3388000 138.384 24.1944 -246.734 -142.859 -174.004 104.924 16.1689 117.381 40.0886 PRESSAVG: 3388000 11.7731 15.9983 -1.23509 15.9983 -4.52392 31.0954 -1.23497 31.0955 21.4848 GPRESSAVG: 3388000 10.4143 15.5355 -2.24134 17.1087 -3.90057 30.9519 1.25132 31.6396 22.0983 TIMING: 3388000 CPU: 10703.3, 0.00319033/step Wall: 10703.3, 0.00319033/step, 1.42856 hours remaining, 236.183594 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: 3388000 3945.6035 20404.2082 14466.0309 259.9562 -203166.8685 2488.2784 0.0000 0.0000 51973.2529 -109629.5385 298.6910 -161602.7914 -109259.5624 298.4863 -29.6116 1.4894 761942.0423 9.5780 9.5374 PRESSURE: 3388200 277.998 -164.845 -106.807 -164.844 61.3569 183.58 -106.808 183.58 -208.311 GPRESSURE: 3388200 257.996 -154.743 -126.359 -147.256 125.867 248.332 -15.1644 147.236 -185.179 PRESSAVG: 3388200 20.0968 -21.4535 -41.5508 -21.4535 -45.9183 86.3495 -41.5508 86.3495 -8.17171 GPRESSAVG: 3388200 19.6146 -21.6495 -40.966 -22.3571 -45.2005 86.201 -42.6985 84.4419 -8.66094 TIMING: 3388200 CPU: 10703.9, 0.00316996/step Wall: 10703.9, 0.00316996/step, 1.41926 hours remaining, 236.183594 MB of memory in use. ENERGY: 3388200 3962.0735 20404.5778 14409.2369 232.9330 -203348.6091 2691.5513 0.0000 0.0000 52094.9466 -109553.2901 299.3904 -161648.2367 -109194.6019 298.5580 43.6814 66.2279 763511.7342 -11.3311 -11.4156 LDB: ============= START OF LOAD BALANCING ============== 10716.5 LDB: ============== END OF LOAD BALANCING =============== 10716.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10716.5 LDB: ============= START OF LOAD BALANCING ============== 10716.8 LDB: Largest compute 7034 load 0.031932 is 16.3% of average load 0.195659 LDB: Average compute 0.004344 is 2.2% of average load 0.195659 LDB: TIME 10716.8 LOAD: AVG 0.195659 MAX 0.217948 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.809 MB LDB: TIME 10716.8 LOAD: AVG 0.195659 MAX 0.217948 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: TIME 10716.8 LOAD: AVG 0.195659 MAX 0.217948 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.812 MB LDB: ============== END OF LOAD BALANCING =============== 10716.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10716.8 PRESSURE: 3388400 39.2101 65.2266 -190.311 65.2261 223.416 284.045 -190.311 284.045 529.772 GPRESSURE: 3388400 41.0636 55.237 -121.975 57.1767 204.088 302.866 1.48744 265.191 636.82 PRESSAVG: 3388400 -24.0034 -52.5321 28.196 -52.5321 26.5077 43.5848 28.196 43.5848 -13.6028 GPRESSAVG: 3388400 -22.112 -53.4724 28.2458 -51.4669 23.7348 41.7881 30.0436 45.8532 -12.2366 TIMING: 3388400 CPU: 10704.6, 0.00325241/step Wall: 10704.6, 0.00325241/step, 1.456 hours remaining, 234.882812 MB of memory in use. ENERGY: 3388400 3945.3732 20422.6920 14422.5232 258.5770 -203114.0491 2618.9870 0.0000 0.0000 51960.1087 -109485.7879 298.6155 -161445.8966 -109130.5806 298.8131 264.1325 293.9903 762874.6160 -3.6995 -3.5379 PRESSURE: 3388600 207.622 0.584694 -15.9724 0.584536 327.621 110.991 -15.9721 110.992 -194.862 GPRESSURE: 3388600 289.712 9.70532 -58.1808 -39.9911 303.487 67.3002 -15.6768 58.6629 -180.481 PRESSAVG: 3388600 32.451 -10.6505 34.7945 -10.6504 -7.6393 35.6485 34.7945 35.6486 26.1563 GPRESSAVG: 3388600 31.962 -10.1781 34.8028 -12.1844 -5.7534 36.205 32.5645 36.0306 24.7718 TIMING: 3388600 CPU: 10705.2, 0.00319501/step Wall: 10705.2, 0.00319501/step, 1.43012 hours remaining, 234.882812 MB of memory in use. ENERGY: 3388600 3947.1150 20583.9333 14418.6237 249.2665 -203324.1305 2707.8033 0.0000 0.0000 51808.2909 -109609.0978 297.7430 -161417.3887 -109264.6253 298.7967 113.4604 137.5724 762249.6756 16.9894 16.9935 PRESSURE: 3388800 80.3614 -232.858 94.3981 -232.859 113.149 -48.503 94.3981 -48.5028 80.6784 GPRESSURE: 3388800 94.4435 -228.748 29.5392 -229.863 120.393 -53.4088 76.1174 -33.4854 128.293 PRESSAVG: 3388800 -29.2952 -3.92204 19.1881 -3.92207 74.9762 -12.5145 19.1882 -12.5144 -1.44707 GPRESSAVG: 3388800 -29.2198 -4.75264 18.8754 -2.88897 74.5632 -12.5995 19.5067 -13.14 -1.02285 TIMING: 3388800 CPU: 10705.9, 0.00317921/step Wall: 10705.9, 0.00317921/step, 1.42287 hours remaining, 234.882812 MB of memory in use. ENERGY: 3388800 4062.0220 20338.6368 14462.1534 241.6574 -203216.3144 2544.1780 0.0000 0.0000 52033.6775 -109533.9893 299.0383 -161567.6668 -109176.4062 298.6578 91.3964 114.3766 762044.2731 14.7446 14.7735 PRESSURE: 3389000 -226.111 243.909 89.9113 243.91 10.761 -33.1216 89.9122 -33.1214 -199.853 GPRESSURE: 3389000 -166.703 339.41 85.3621 248.704 62.2168 -27.9764 -43.3861 25.0289 -233.314 PRESSAVG: 3389000 -26.4421 -0.569983 86.5326 -0.570002 -3.76377 -19.992 86.5326 -19.992 -14.0169 GPRESSAVG: 3389000 -26.9662 -0.252069 86.5494 -1.46377 -3.50719 -19.7288 85.019 -20.8052 -12.6753 TIMING: 3389000 CPU: 10706.5, 0.00316751/step Wall: 10706.5, 0.00316751/step, 1.41746 hours remaining, 234.882812 MB of memory in use. ENERGY: 3389000 4052.2590 20507.9997 14455.9578 255.3411 -203112.2975 2355.8515 0.0000 0.0000 51848.2320 -109636.6564 297.9725 -161484.8884 -109270.1416 298.3648 -138.4012 -112.6002 762302.5768 -14.7409 -14.3829 PRESSURE: 3389200 136.916 82.6488 286.384 82.649 279.199 34.1784 286.383 34.1789 -2.39697 GPRESSURE: 3389200 146.91 -6.6502 280.781 61.6271 319.562 0.250946 227.06 -66.0463 21.7941 PRESSAVG: 3389200 -96.3053 -33.3575 5.03153 -33.3575 41.7239 -50.5568 5.03162 -50.5568 0.728718 GPRESSAVG: 3389200 -94.1769 -32.4541 4.29307 -34.3051 40.5291 -49.2557 8.41683 -50.3264 0.461994 TIMING: 3389200 CPU: 10707.1, 0.00314368/step Wall: 10707.1, 0.00314368/step, 1.40662 hours remaining, 234.882812 MB of memory in use. ENERGY: 3389200 3951.1366 20405.2754 14426.9553 244.6452 -203122.6558 2646.8569 0.0000 0.0000 52023.6851 -109424.1012 298.9808 -161447.7863 -109073.4773 298.6843 137.9060 162.7555 762095.6434 -17.9509 -17.7286 PRESSURE: 3389400 -126.636 57.3206 -75.717 57.3204 -192.482 122.772 -75.7168 122.772 18.6581 GPRESSURE: 3389400 -196.931 71.7582 -175.01 122.977 -133.018 156.028 -79.6127 100.099 80.8058 PRESSAVG: 3389400 -16.3927 10.5851 30.1676 10.5851 25.2581 3.04157 30.1677 3.04156 -12.9768 GPRESSAVG: 3389400 -17.7693 7.25051 31.3242 12.9178 26.6519 3.59558 28.4191 3.10465 -12.7034 TIMING: 3389400 CPU: 10707.8, 0.00316182/step Wall: 10707.8, 0.00316182/step, 1.41456 hours remaining, 234.882812 MB of memory in use. ENERGY: 3389400 4001.1906 20366.3215 14548.6451 245.6581 -203405.7319 2618.7709 0.0000 0.0000 51918.8061 -109706.3396 298.3781 -161625.1457 -109346.2063 298.7733 -100.1533 -83.0477 761992.7190 -1.3705 -1.2736 PRESSURE: 3389600 -63.9485 -193.256 185.944 -193.257 -348.894 -163.923 185.944 -163.925 -463.423 GPRESSURE: 3389600 -84.0101 -156.904 135.99 -135.351 -209.226 -131.672 167.744 -149.381 -484.992 PRESSAVG: 3389600 18.0245 15.8578 -18.9956 15.8579 -74.4831 -63.6773 -18.9956 -63.6774 11.555 GPRESSAVG: 3389600 18.6186 17.897 -21.0229 15.8728 -74.3534 -64.3043 -20.1821 -62.5911 10.791 TIMING: 3389600 CPU: 10708.4, 0.00317777/step Wall: 10708.4, 0.00317777/step, 1.42152 hours remaining, 234.882812 MB of memory in use. ENERGY: 3389600 4024.9225 20412.8579 14378.1042 230.2498 -202979.9956 2240.4909 0.0000 0.0000 52050.2650 -109643.1053 299.1336 -161693.3703 -109279.6783 298.6967 -292.0885 -259.4092 761032.5333 -14.9678 -14.9813 PRESSURE: 3389800 168.444 114.449 52.0294 114.448 136.262 -188.661 52.0301 -188.662 366.589 GPRESSURE: 3389800 208.178 171.546 11.3814 111.349 179.763 -134.476 250.129 -110.559 378.75 PRESSAVG: 3389800 8.76661 27.575 7.58449 27.5749 2.71755 -32.4017 7.58447 -32.4017 2.92167 GPRESSAVG: 3389800 9.04619 26.8719 8.2337 26.5693 1.85287 -32.7196 9.70795 -31.8087 3.25181 TIMING: 3389800 CPU: 10709, 0.00318224/step Wall: 10709, 0.00318224/step, 1.42335 hours remaining, 234.882812 MB of memory in use. ENERGY: 3389800 3934.1700 20562.7895 14449.4768 246.1021 -203377.5807 2656.4482 0.0000 0.0000 51972.5918 -109556.0022 298.6872 -161528.5940 -109197.7211 298.7427 223.7650 255.5639 761253.0095 4.8019 4.7170 PRESSURE: 3390000 -494.142 -77.8214 8.55954 -77.8223 -214.975 -195.202 8.55896 -195.202 415.812 GPRESSURE: 3390000 -475.506 -45.7528 -55.6944 -109.598 -149.01 -240.109 15.5209 -244.908 391.128 PRESSAVG: 3390000 -4.69374 -8.35866 -15.3116 -8.35866 20.738 -58.9326 -15.3116 -58.9326 -3.31654 GPRESSAVG: 3390000 -4.95868 -9.34502 -15.6741 -8.17341 21.9025 -59.1146 -16.1658 -59.6097 -3.76762 TIMING: 3390000 CPU: 10709.7, 0.00317861/step Wall: 10709.7, 0.00317861/step, 1.42154 hours remaining, 234.882812 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: 3390000 4016.0755 20532.5675 14461.3113 244.7870 -203247.7206 2365.0707 0.0000 0.0000 52190.2275 -109437.6811 299.9380 -161627.9086 -109076.0600 299.4569 -97.7683 -77.7962 760086.7598 4.2426 4.3921 PRESSURE: 3390200 -346.66 136.606 -224.272 136.605 -330.899 140.66 -224.271 140.659 -336.819 GPRESSURE: 3390200 -305.436 101.405 -173.213 76.1768 -269.183 138.194 -284.906 141.334 -354.206 PRESSAVG: 3390200 9.13771 -1.82529 22.7103 -1.82524 -28.8235 0.32146 22.7104 0.321484 -3.70207 GPRESSAVG: 3390200 9.1065 0.47266 22.3111 -4.18679 -28.7128 0.331375 22.7578 -0.359661 -3.4897 TIMING: 3390200 CPU: 10710.3, 0.0031866/step Wall: 10710.3, 0.0031866/step, 1.42494 hours remaining, 234.882812 MB of memory in use. ENERGY: 3390200 4009.3436 20645.8373 14476.1949 243.6062 -203227.6954 2571.5264 0.0000 0.0000 51832.2463 -109448.9407 297.8806 -161281.1870 -109089.5190 299.0585 -338.1261 -309.6086 762070.1826 -7.7960 -7.6987 PRESSURE: 3390400 278.205 -59.5839 -179.905 -59.5834 -154.148 -280.311 -179.905 -280.311 -50.3469 GPRESSURE: 3390400 263.091 33.2364 -136.569 26.4159 -141.855 -269.343 -118.163 -300.641 39.7077 PRESSAVG: 3390400 -8.27208 -67.6477 2.47034 -67.6477 40.0602 27.8144 2.47042 27.8143 3.61976 GPRESSAVG: 3390400 -9.41107 -65.2653 2.09854 -65.009 39.1653 27.4182 4.32991 28.9612 5.55618 TIMING: 3390400 CPU: 10710.9, 0.00315816/step Wall: 10710.9, 0.00315816/step, 1.41205 hours remaining, 234.882812 MB of memory in use. ENERGY: 3390400 3997.7988 20516.0768 14471.4597 253.7130 -203447.5697 2809.7461 0.0000 0.0000 52044.5967 -109354.1787 299.1010 -161398.7754 -108990.1802 299.5633 24.5702 53.6479 762117.4683 11.8026 11.7701 PRESSURE: 3390600 447.087 62.0166 -12.5369 62.0161 600.2 -27.2555 -12.5353 -27.2554 317.334 GPRESSURE: 3390600 586.486 36.767 57.7111 -97.8309 579.755 -94.9402 -53.7978 -64.9543 293.417 PRESSAVG: 3390600 -28.3027 -54.1629 -15.9979 -54.1628 55.5347 -24.6269 -15.9979 -24.6269 -1.50156 GPRESSAVG: 3390600 -26.4924 -57.3802 -15.7848 -56.1254 54.8035 -24.6283 -18.3451 -24.904 -2.61714 TIMING: 3390600 CPU: 10711.6, 0.00317715/step Wall: 10711.6, 0.00317715/step, 1.42036 hours remaining, 234.882812 MB of memory in use. ENERGY: 3390600 4002.5549 20400.5875 14452.6822 250.7219 -203743.3521 3127.0226 0.0000 0.0000 52107.9107 -109401.8723 299.4649 -161509.7829 -109033.8075 299.4206 454.8737 486.5528 761040.4883 8.5768 8.5647 PRESSURE: 3390800 318.624 -76.5497 85.9885 -76.5504 -98.6425 31.3988 85.9887 31.4001 -168.059 GPRESSURE: 3390800 219.872 -121.864 143.966 -102.677 45.3313 -3.06004 9.74219 77.7617 -139.127 PRESSAVG: 3390800 -30.6639 -31.3292 -7.44164 -31.3292 61.4104 -16.7536 -7.44158 -16.7536 15.3282 GPRESSAVG: 3390800 -32.1531 -29.9522 -7.01068 -28.9632 63.4444 -15.9895 -7.20243 -19.2932 14.74 TIMING: 3390800 CPU: 10712.2, 0.00317016/step Wall: 10712.2, 0.00317016/step, 1.41706 hours remaining, 234.882812 MB of memory in use. ENERGY: 3390800 4119.4192 20516.4298 14523.8907 251.3153 -203176.9336 2584.9063 0.0000 0.0000 51749.8988 -109431.0734 297.4074 -161180.9723 -109087.2577 299.3573 17.3075 42.0255 763701.8142 15.3582 15.3438 PRESSURE: 3391000 164.342 -143.488 -35.9665 -143.488 554.65 -92.1127 -35.9668 -92.1146 81.9647 GPRESSURE: 3391000 188.135 -95.9938 44.5793 -126.329 528.384 -74.2896 -4.51101 -56.3651 175.931 PRESSAVG: 3391000 -10.7134 -42.0734 -11.6951 -42.0734 61.2615 4.2196 -11.6952 4.21952 10.6018 GPRESSAVG: 3391000 -9.64126 -42.0792 -9.90402 -43.6339 59.3648 4.08358 -13.1859 5.25631 11.1163 TIMING: 3391000 CPU: 10712.8, 0.00316003/step Wall: 10712.8, 0.00316003/step, 1.41236 hours remaining, 235.085938 MB of memory in use. ENERGY: 3391000 3990.9539 20761.8529 14483.5063 236.1753 -203779.9450 2805.4991 0.0000 0.0000 51918.3113 -109583.6462 298.3752 -161501.9575 -109222.2458 298.6310 266.9855 297.4833 759922.4861 20.3833 20.2799 PRESSURE: 3391200 -211.702 77.279 -133.881 77.2789 180.714 129 -133.881 129 128.896 GPRESSURE: 3391200 -156.179 13.1576 -74.535 48.1414 178.518 61.3979 -141.694 44.9473 152.772 PRESSAVG: 3391200 -37.6008 -14.6458 26.9125 -14.6458 35.9725 19.8998 26.9125 19.8997 -7.9661 GPRESSAVG: 3391200 -36.9547 -17.42 25.3252 -13.576 35.5844 18.7261 27.8252 20.8476 -8.09539 TIMING: 3391200 CPU: 10713.5, 0.00316808/step Wall: 10713.5, 0.00316808/step, 1.41578 hours remaining, 235.085938 MB of memory in use. ENERGY: 3391200 3926.2685 20683.1253 14409.5775 238.7292 -203605.1996 2524.9705 0.0000 0.0000 52197.8031 -109624.7256 299.9815 -161822.5287 -109269.8834 299.3596 32.6362 58.3701 760017.8660 -3.1981 -3.1552 PRESSURE: 3391400 -185.98 159.612 -233.173 159.613 -269.459 -101.295 -233.172 -101.294 332.148 GPRESSURE: 3391400 -196.527 200.044 -298.936 92.9325 -172.316 -57.8257 -271.522 -80.2074 320.401 PRESSAVG: 3391400 -24.0774 -43.7438 4.55603 -43.7438 -9.04557 27.2161 4.55605 27.2161 14.307 GPRESSAVG: 3391400 -24.8316 -40.6447 4.1628 -44.6496 -9.28711 27.9689 4.24662 26.4895 15.3455 TIMING: 3391400 CPU: 10714.1, 0.00319152/step Wall: 10714.1, 0.00319152/step, 1.42608 hours remaining, 235.085938 MB of memory in use. ENERGY: 3391400 3999.7588 20566.8851 14509.8316 221.6943 -203497.9936 2641.7279 0.0000 0.0000 52078.5807 -109479.5152 299.2963 -161558.0959 -109121.3418 298.8424 -41.0972 -16.1470 763967.2916 -6.2720 -6.2577 PRESSURE: 3391600 -163.689 22.5393 -325.469 22.5395 14.9126 170.898 -325.469 170.897 3.84148 GPRESSURE: 3391600 -96.8474 87.0434 -225.652 7.19497 27.7847 159.56 -282.206 278.846 15.1989 PRESSAVG: 3391600 15.3436 -18.9276 -27.5896 -18.9275 0.387459 62.3874 -27.5896 62.3875 -3.70154 GPRESSAVG: 3391600 15.8282 -18.6356 -28.5633 -19.4777 1.12794 62.0882 -25.3575 65.0692 -5.08532 TIMING: 3391600 CPU: 10714.8, 0.00318238/step Wall: 10714.8, 0.00318238/step, 1.42182 hours remaining, 235.085938 MB of memory in use. ENERGY: 3391600 3989.1048 20663.3276 14423.8683 253.4005 -203686.7245 2865.9349 0.0000 0.0000 52103.9543 -109387.1342 299.4421 -161491.0884 -109024.3108 299.3433 -48.3115 -17.9546 762691.3708 4.0099 3.9569 PRESSURE: 3391800 -175.702 67.7253 216.523 67.7246 214.03 99.4562 216.523 99.4577 244.927 GPRESSURE: 3391800 -202.812 19.8315 251.392 86.4301 247.046 137.637 175.193 -3.59521 325.221 PRESSAVG: 3391800 -19.1716 30.1599 10.474 30.1598 43.5764 5.8127 10.474 5.8127 -9.75182 GPRESSAVG: 3391800 -20.8268 28.1784 13.4057 28.3203 43.9806 6.62237 8.7116 4.85592 -8.46291 TIMING: 3391800 CPU: 10715.4, 0.00317533/step Wall: 10715.4, 0.00317533/step, 1.41849 hours remaining, 235.085938 MB of memory in use. ENERGY: 3391800 3903.9197 20509.1214 14514.3011 235.1199 -203588.9785 2540.1088 0.0000 0.0000 52450.8530 -109435.5546 301.4358 -161886.4075 -109080.5208 299.9260 94.4185 123.1514 761531.0443 4.8843 4.8969 PRESSURE: 3392000 172.455 -61.1378 -52.5933 -61.1381 -173.343 86.8064 -52.5941 86.8072 -138.805 GPRESSURE: 3392000 187.402 13.0715 -12.2114 -15.2949 -97.6697 164.798 -0.379959 17.6719 -148.5 PRESSAVG: 3392000 -30.0198 1.71971 -42.1645 1.71971 34.5357 -2.12009 -42.1645 -2.12013 0.0909566 GPRESSAVG: 3392000 -28.6982 1.03291 -43.3103 6.02838 34.4887 -2.0614 -40.5873 -3.16467 -1.45584 TIMING: 3392000 CPU: 10716, 0.00318368/step Wall: 10716, 0.00318368/step, 1.42205 hours remaining, 235.085938 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: 3392000 3867.1688 20498.9984 14528.8354 236.7598 -203441.7688 2847.9291 0.0000 0.0000 52130.5679 -109331.5094 299.5951 -161462.0773 -108959.2377 299.7063 -46.5645 -19.5892 763522.8766 1.5356 1.4449 PRESSURE: 3392200 153.233 106.416 130.507 106.415 63.2984 -52.4217 130.506 -52.4221 93.7182 GPRESSURE: 3392200 219.429 144.911 79.1417 54.1557 104.473 -71.5704 53.3549 -8.44862 65.0856 PRESSAVG: 3392200 14.0354 -10.9257 6.97915 -10.9258 -5.19191 -9.84751 6.97914 -9.84749 -11.9147 GPRESSAVG: 3392200 12.9014 -9.14086 7.67279 -13.8142 -5.02263 -12.154 7.76867 -7.80296 -11.2912 TIMING: 3392200 CPU: 10716.7, 0.00320456/step Wall: 10716.7, 0.00320456/step, 1.43119 hours remaining, 235.085938 MB of memory in use. ENERGY: 3392200 4034.7932 20515.8856 14404.9405 232.8857 -203116.6868 2553.2131 0.0000 0.0000 52077.3325 -109297.6362 299.2891 -161374.9687 -108939.5788 299.6115 103.4164 129.6627 760800.1546 -1.0237 -1.1375 LDB: ============= START OF LOAD BALANCING ============== 10729.2 LDB: ============== END OF LOAD BALANCING =============== 10729.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10729.2 LDB: ============= START OF LOAD BALANCING ============== 10729.5 LDB: Largest compute 7034 load 0.031705 is 16.2% of average load 0.195597 LDB: Average compute 0.004358 is 2.2% of average load 0.195597 LDB: TIME 10729.5 LOAD: AVG 0.195597 MAX 0.220957 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 10729.5 LOAD: AVG 0.195597 MAX 0.220957 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.188 MB LDB: TIME 10729.5 LOAD: AVG 0.195597 MAX 0.216693 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.188 MB LDB: ============== END OF LOAD BALANCING =============== 10729.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10729.5 PRESSURE: 3392400 -358.259 4.277 -57.7889 4.27802 -298.272 -108.606 -57.7884 -108.607 86.3811 GPRESSURE: 3392400 -366.476 -19.2771 -100.453 57.0573 -237.135 -131.54 37.9981 -236.948 111.133 PRESSAVG: 3392400 -66.2486 7.80347 -12.5055 7.80352 76.5673 13.7364 -12.5055 13.7364 25.4501 GPRESSAVG: 3392400 -66.4159 7.29305 -14.0011 9.51568 76.8546 17.4224 -11.5094 10.3112 25.5554 TIMING: 3392400 CPU: 10717.3, 0.00326173/step Wall: 10717.3, 0.00326173/step, 1.45655 hours remaining, 235.453125 MB of memory in use. ENERGY: 3392400 4063.4112 20518.5705 14476.9833 239.4716 -202766.7107 2317.7679 0.0000 0.0000 51923.6791 -109226.8270 298.4061 -161150.5061 -108874.3890 299.4505 -190.0500 -164.1592 761849.8973 11.9229 11.9980 PRESSURE: 3392600 59.8604 -13.9398 237.774 -13.9398 54.4568 24.1093 237.775 24.1082 -33.0992 GPRESSURE: 3392600 103.893 56.5029 199.821 -17.0562 48.7451 22.8493 143.298 22.0705 11.8361 PRESSAVG: 3392600 -58.5785 -30.9965 36.0011 -30.9965 87.1186 21.3811 36.0012 21.381 -8.40436 GPRESSAVG: 3392600 -58.7001 -30.4743 34.8654 -33.4996 86.7768 20.1099 34.7417 24.1233 -7.33984 TIMING: 3392600 CPU: 10718, 0.00318129/step Wall: 10718, 0.00318129/step, 1.42044 hours remaining, 235.859375 MB of memory in use. ENERGY: 3392600 3978.4119 20556.6666 14437.7982 256.5186 -202810.0000 2512.4113 0.0000 0.0000 52013.6217 -109054.5717 298.9230 -161068.1934 -108701.9508 299.7503 27.0727 54.8249 760749.3678 6.7119 6.9123 PRESSURE: 3392800 69.4607 -76.9642 92.9037 -76.9651 184.929 -129.342 92.9042 -129.343 -74.5814 GPRESSURE: 3392800 35.0038 -165.575 129.02 -19.4459 235.756 -178.231 108.498 -120.309 -4.38406 PRESSAVG: 3392800 37.0944 7.19349 9.32631 7.19349 -5.58564 57.4201 9.32636 57.4202 -16.7642 GPRESSAVG: 3392800 37.1521 7.06403 9.17398 9.24989 -4.62605 56.9278 7.85175 57.6573 -17.9776 TIMING: 3392800 CPU: 10718.6, 0.00316981/step Wall: 10718.6, 0.00316981/step, 1.41515 hours remaining, 235.859375 MB of memory in use. ENERGY: 3392800 4020.4146 20603.6900 14535.2911 247.3685 -202532.4938 2335.1294 0.0000 0.0000 51959.9407 -108830.6596 298.6145 -160790.6002 -108477.2187 299.9605 59.9362 88.7919 762640.3323 4.9148 4.8495 PRESSURE: 3393000 -394.655 -14.3986 -281.352 -14.3983 -185.101 211.476 -281.352 211.476 -215.537 GPRESSURE: 3393000 -276.53 59.4572 -191.982 -64.2979 -223.158 65.7192 -271.598 165.347 -209.033 PRESSAVG: 3393000 -7.50485 -12.7145 62.9003 -12.7145 22.7826 -31.5073 62.9001 -31.5074 12.0942 GPRESSAVG: 3393000 -6.24606 -12.7768 63.7896 -14.8815 21.8761 -33.2554 65.6093 -31.5068 12.5117 TIMING: 3393000 CPU: 10719.2, 0.00316927/step Wall: 10719.2, 0.00316927/step, 1.41473 hours remaining, 235.859375 MB of memory in use. ENERGY: 3393000 4035.3021 20536.6381 14472.3892 248.8147 -202928.4438 2457.3097 0.0000 0.0000 52262.4391 -108915.5509 300.3530 -161177.9900 -108550.3246 299.9966 -265.0976 -236.2401 763074.5748 9.1240 9.3806 PRESSURE: 3393200 31.1319 -24.5412 86.6634 -24.5411 -234.123 -92.1655 86.6629 -92.1654 -34.1819 GPRESSURE: 3393200 29.5024 -11.9944 -5.40734 -59.3209 -123.156 14.3379 5.5263 -105.654 -50.6886 PRESSAVG: 3393200 -55.9737 1.31409 49.4623 1.31411 9.22469 0.542729 49.4624 0.542723 3.1517 GPRESSAVG: 3393200 -57.5414 2.90235 49.4132 0.452061 9.77773 1.46741 48.7554 0.770216 4.32601 TIMING: 3393200 CPU: 10719.9, 0.00316953/step Wall: 10719.9, 0.00316953/step, 1.41467 hours remaining, 235.859375 MB of memory in use. ENERGY: 3393200 3960.0581 20644.3827 14469.3858 246.2395 -203008.2640 2645.4358 0.0000 0.0000 52136.7320 -108906.0302 299.6305 -161042.7622 -108549.2623 299.9219 -79.0577 -48.1142 762311.4829 -14.5324 -14.4792 PRESSURE: 3393400 -72.5591 203.969 -102.004 203.969 68.5157 13.1732 -102.004 13.1745 37.8439 GPRESSURE: 3393400 11.5469 101.916 -92.6575 213.757 106.646 -5.11177 -117.161 0.259906 3.14855 PRESSAVG: 3393400 -40.6953 64.8606 -1.08196 64.8606 20.6722 30.8753 -1.08192 30.8754 -6.62185 GPRESSAVG: 3393400 -39.1863 64.9617 -0.915537 66.2363 20.7435 30.1171 -2.56484 29.8681 -7.90692 TIMING: 3393400 CPU: 10720.5, 0.00315405/step Wall: 10720.5, 0.00315405/step, 1.40758 hours remaining, 235.859375 MB of memory in use. ENERGY: 3393400 4060.3067 20568.4378 14508.0013 246.3881 -203238.1764 2569.1051 0.0000 0.0000 52272.7955 -109013.1419 300.4125 -161285.9374 -108652.3162 300.5625 11.2668 40.4472 762214.7809 -8.8817 -8.7832 PRESSURE: 3393600 -17.4236 -46.1763 251.055 -46.1769 -197.514 88.5337 251.056 88.5328 -279.884 GPRESSURE: 3393600 77.3673 -9.11485 174.081 31.9986 -197.165 81.5281 222.705 65.5796 -303.245 PRESSAVG: 3393600 -29.1407 26.4115 -20.0607 26.4115 -6.46456 16.3066 -20.0607 16.3066 1.89129 GPRESSAVG: 3393600 -29.0824 26.9624 -19.8057 26.7661 -6.40636 18.1325 -19.2453 15.102 1.70089 TIMING: 3393600 CPU: 10721.1, 0.00321698/step Wall: 10721.1, 0.00321698/step, 1.43549 hours remaining, 235.859375 MB of memory in use. ENERGY: 3393600 4011.0913 20631.9542 14503.6682 236.7252 -203161.8470 2683.6553 0.0000 0.0000 52214.2802 -108880.4726 300.0762 -161094.7528 -108531.6853 300.2173 -164.9405 -141.0143 762859.5248 -11.2380 -11.2626 PRESSURE: 3393800 -354.077 46.6133 -163.869 46.6138 -426.397 59.0338 -163.869 59.0344 -359.841 GPRESSURE: 3393800 -484.275 -41.8116 -233.052 9.59948 -361.592 25.3899 -57.9699 73.2076 -209.256 PRESSAVG: 3393800 -63.0196 -20.0214 -2.98465 -20.0214 42.2683 21.2409 -2.98473 21.2409 -18.856 GPRESSAVG: 3393800 -62.6523 -21.021 -2.79697 -20.8691 40.9484 23.3198 -3.76613 22.1845 -18.4229 TIMING: 3393800 CPU: 10721.8, 0.00316861/step Wall: 10721.8, 0.00316861/step, 1.41373 hours remaining, 235.859375 MB of memory in use. ENERGY: 3393800 3991.8439 20622.6243 14486.4936 237.3823 -203227.0736 2653.6375 0.0000 0.0000 52397.4295 -108837.6625 301.1287 -161235.0920 -108459.8286 300.7924 -380.1051 -351.7076 764261.5283 -13.2024 -13.3756 PRESSURE: 3394000 35.0952 63.3559 -233.672 63.3566 -205.475 -160.439 -233.672 -160.439 -205.784 GPRESSURE: 3394000 28.737 76.3716 -211.456 -149.911 -103.334 -152.227 -169.444 -52.0056 -197.752 PRESSAVG: 3394000 -28.5954 4.41127 -31.7849 4.41121 -4.12241 3.42084 -31.7849 3.4208 8.46063 GPRESSAVG: 3394000 -27.8252 4.47329 -33.4021 4.04099 -3.89724 1.4487 -30.5851 4.30003 8.02278 TIMING: 3394000 CPU: 10722.4, 0.00318265/step Wall: 10722.4, 0.00318265/step, 1.41982 hours remaining, 235.847656 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: 3394000 4000.4002 20549.7669 14530.7141 243.5399 -203131.9706 2863.1504 0.0000 0.0000 52007.9380 -108936.4610 298.8903 -160944.3990 -108574.5308 300.6608 -125.3880 -90.7831 764140.8733 -8.0857 -7.8999 PRESSURE: 3394200 100.93 -40.9825 -90.4 -40.9817 -109.5 -70.321 -90.4005 -70.3208 -228.8 GPRESSURE: 3394200 164.183 -13.6938 9.78765 -83.1353 -133.413 -34.0984 53.6391 1.91007 -191.285 PRESSAVG: 3394200 1.19646 -31.6408 24.0086 -31.6408 25.905 -9.30717 24.0086 -9.3072 7.66355 GPRESSAVG: 3394200 -0.0157746 -33.0376 26.374 -31.0525 27.3458 -8.93845 23.4185 -7.32262 7.38344 TIMING: 3394200 CPU: 10723, 0.00318542/step Wall: 10723, 0.00318542/step, 1.42088 hours remaining, 235.847656 MB of memory in use. ENERGY: 3394200 4001.3402 20678.7941 14500.9425 251.2325 -202905.2419 2378.6512 0.0000 0.0000 52256.1647 -108838.1167 300.3169 -161094.2813 -108482.4878 300.6068 -79.1236 -53.5051 762599.0468 11.5883 11.5711 PRESSURE: 3394400 -53.5224 -135.384 -123.576 -135.384 123.972 215.632 -123.576 215.633 304.036 GPRESSURE: 3394400 -21.1477 -210.348 -199.658 -72.5598 109.575 238.332 -194.313 127.98 383.219 PRESSAVG: 3394400 13.5011 -7.67295 51.207 -7.67291 -32.0459 -35.1851 51.207 -35.185 4.59863 GPRESSAVG: 3394400 11.9934 -6.43026 49.5131 -6.99633 -30.9951 -37.0703 52.0463 -37.4847 5.50562 TIMING: 3394400 CPU: 10723.7, 0.00319368/step Wall: 10723.7, 0.00319368/step, 1.42438 hours remaining, 235.847656 MB of memory in use. ENERGY: 3394400 3985.7544 20642.9986 14468.0544 265.5018 -203284.2391 2705.4363 0.0000 0.0000 52281.1627 -108935.3310 300.4606 -161216.4937 -108569.4958 300.2313 124.8285 157.2152 763586.3856 -4.6487 -4.4987 PRESSURE: 3394600 202.476 -172.003 143.36 -172.003 116.625 113.932 143.36 113.933 489.895 GPRESSURE: 3394600 203.502 -138.861 63.349 -50.1109 238.132 88.8291 198.73 82.0875 444.208 PRESSAVG: 3394600 7.92915 -55.7641 11.5413 -55.7641 13.0108 11.7673 11.5413 11.7674 -16.7927 GPRESSAVG: 3394600 9.25888 -55.4047 12.7527 -55.8339 10.4502 13.4344 10.4033 11.4668 -15.6867 TIMING: 3394600 CPU: 10724.3, 0.00317383/step Wall: 10724.3, 0.00317383/step, 1.41535 hours remaining, 235.847656 MB of memory in use. ENERGY: 3394600 3961.1491 20483.3062 14453.0537 250.2436 -203325.7268 3009.1588 0.0000 0.0000 51984.5387 -109184.2767 298.7559 -161168.8154 -108816.4727 300.1654 269.6651 295.2810 761224.3067 1.3824 1.3408 PRESSURE: 3394800 -193.181 13.5509 83.7635 13.5506 -196.131 -335.519 83.7631 -335.52 -298.908 GPRESSURE: 3394800 -154.857 144.131 56.4873 -35.4054 -149.018 -224.006 109.121 -128.894 -295.346 PRESSAVG: 3394800 -6.55432 13.7426 -15.0625 13.7426 11.187 36.138 -15.0625 36.1381 -8.70491 GPRESSAVG: 3394800 -5.6911 12.7346 -16.7651 15.4666 11.2755 36.0602 -13.0786 36.1472 -9.25246 TIMING: 3394800 CPU: 10724.9, 0.00319952/step Wall: 10724.9, 0.00319952/step, 1.42663 hours remaining, 235.859375 MB of memory in use. ENERGY: 3394800 4019.2526 20555.3296 14362.2059 245.2106 -202765.7883 2135.4519 0.0000 0.0000 52200.9725 -109247.3653 299.9997 -161448.3378 -108882.6250 299.7097 -229.4068 -199.7406 763374.8757 -1.3574 -1.2227 PRESSURE: 3395000 116.6 128.389 94.6496 128.39 207.113 336.142 94.6507 336.141 256.909 GPRESSURE: 3395000 222.23 175.837 120.904 47.4426 177.282 262.252 190.292 231.861 270.788 PRESSAVG: 3395000 -34.6628 38.8268 35.9558 38.8268 1.29673 39.7235 35.9557 39.7234 -20.4144 GPRESSAVG: 3395000 -34.7455 37.1645 36.8183 37.2189 1.70093 38.0719 34.9678 39.2142 -20.9866 TIMING: 3395000 CPU: 10725.6, 0.00319397/step Wall: 10725.6, 0.00319397/step, 1.42398 hours remaining, 235.859375 MB of memory in use. ENERGY: 3395000 3936.3930 20714.3596 14473.8357 241.6385 -203534.2982 2796.4748 0.0000 0.0000 52082.9494 -109288.6473 299.3214 -161371.5966 -108925.2042 299.7143 193.5407 223.4333 759603.1213 -17.9268 -18.0104 PRESSURE: 3395200 221.011 -174.091 64.7104 -174.091 65.4108 -139.637 64.7094 -139.636 44.9362 GPRESSURE: 3395200 283.303 -201.947 23.2998 -131.83 39.4107 -105.798 84.5362 -61.5185 76.0446 PRESSAVG: 3395200 -1.16603 -11.8528 70.112 -11.8528 -48.659 2.52388 70.1119 2.52378 15.8295 GPRESSAVG: 3395200 -1.33526 -10.1848 71.5504 -12.18 -49.2863 2.87622 69.2073 3.45528 16.3862 TIMING: 3395200 CPU: 10726.2, 0.00318447/step Wall: 10726.2, 0.00318447/step, 1.41956 hours remaining, 235.859375 MB of memory in use. ENERGY: 3395200 4053.9969 20584.0783 14439.3950 243.9406 -203343.3787 2670.6185 0.0000 0.0000 52204.1518 -109147.1976 300.0180 -161351.3494 -108789.6191 299.8442 110.4526 132.9193 761327.2819 -11.3319 -11.4118 PRESSURE: 3395400 -24.4319 -8.80455 19.5951 -8.80463 -446.45 122.795 19.5948 122.795 -314.27 GPRESSURE: 3395400 -1.60107 10.0463 17.9631 -39.2177 -381.505 104.953 -47.4315 -29.6256 -300.183 PRESSAVG: 3395400 -10.1449 -15.8731 19.283 -15.8731 -6.64075 14.8942 19.283 14.8942 -20.4356 GPRESSAVG: 3395400 -9.0871 -14.3361 19.6312 -15.9463 -5.5568 15.6009 19.359 16.2611 -22.695 TIMING: 3395400 CPU: 10726.9, 0.00318977/step Wall: 10726.9, 0.00318977/step, 1.42175 hours remaining, 235.859375 MB of memory in use. ENERGY: 3395400 4033.0034 20598.2868 14467.5952 244.3353 -203460.3794 2622.4052 0.0000 0.0000 52323.3135 -109171.4398 300.7028 -161494.7534 -108805.3070 299.9551 -261.7174 -227.7631 761798.8508 -12.4071 -12.4463 PRESSURE: 3395600 -151.638 208.794 126.865 208.794 -186.147 120.908 126.865 120.908 -161.58 GPRESSURE: 3395600 -41.6768 327.868 169.116 278.151 -183.634 181.561 -31.4328 83.6871 -190.544 PRESSAVG: 3395600 18.3798 16.4586 -28.1583 16.4586 -36.8727 11.3992 -28.1583 11.3991 -8.36146 GPRESSAVG: 3395600 17.2296 14.3778 -30.6647 15.0809 -36.8784 10.5889 -27.1578 9.25339 -6.77492 TIMING: 3395600 CPU: 10727.5, 0.00319262/step Wall: 10727.5, 0.00319262/step, 1.42284 hours remaining, 235.859375 MB of memory in use. ENERGY: 3395600 3937.1632 20534.8630 14518.5001 248.1564 -203076.8273 2292.1740 0.0000 0.0000 52350.4847 -109195.4859 300.8590 -161545.9706 -108825.8734 299.5177 -166.4551 -138.6184 760084.0979 -8.9514 -8.8079 PRESSURE: 3395800 217.719 -131.722 50.1998 -131.722 -99.0887 -138.002 50.1999 -138.001 -265.2 GPRESSURE: 3395800 171.908 -59.1612 99.3203 -99.9475 -26.5589 -175.72 -0.536868 14.5039 -232.757 PRESSAVG: 3395800 -13.1899 -36.3275 -6.24496 -36.3275 -48.5716 -6.80383 -6.24497 -6.80376 31.7827 GPRESSAVG: 3395800 -12.9017 -35.9895 -2.11668 -33.845 -47.8717 -6.21252 -8.22197 -6.75236 30.6853 TIMING: 3395800 CPU: 10728.1, 0.0031787/step Wall: 10728.1, 0.0031787/step, 1.41647 hours remaining, 235.859375 MB of memory in use. ENERGY: 3395800 3941.9516 20623.9172 14516.6237 244.9125 -203450.4930 2578.7959 0.0000 0.0000 52567.7909 -108976.5013 302.1078 -161544.2922 -108603.7520 299.8589 -48.8565 -29.1359 761205.6766 -9.9929 -10.0293 PRESSURE: 3396000 -113.025 25.0523 64.5281 25.0525 -291.431 81.207 64.5288 81.2088 285.502 GPRESSURE: 3396000 -103.894 115.567 120.892 -31.6281 -261.905 117.637 -96.0681 -24.2996 319.288 PRESSAVG: 3396000 21.1415 -11.5285 46.8789 -11.5285 -32.7464 23.7715 46.8788 23.7716 -4.36773 GPRESSAVG: 3396000 21.9629 -10.428 44.8053 -12.5833 -34.4282 22.4921 47.9033 24.2338 -3.42533 TIMING: 3396000 CPU: 10728.8, 0.00318038/step Wall: 10728.8, 0.00318038/step, 1.41703 hours remaining, 235.859375 MB of memory 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 4066.2869 20800.5896 14507.7235 251.3507 -203179.7555 2391.1400 0.0000 0.0000 52194.6276 -108968.0373 299.9632 -161162.6649 -108599.8052 300.9242 -39.6512 -15.5034 761040.2827 -5.3242 -5.2969 PRESSURE: 3396200 -86.3925 -195.318 194.68 -195.318 -36.4665 -200.215 194.68 -200.215 136.64 GPRESSURE: 3396200 -49.7939 -127.037 204.769 -193.714 -37.2855 -144.651 213.04 -208.397 188.951 PRESSAVG: 3396200 -27.7564 4.36891 85.7893 4.36885 -2.66991 28.9566 85.7893 28.9565 -8.34876 GPRESSAVG: 3396200 -27.8271 1.39759 84.5294 5.98151 -1.79798 29.4572 85.4879 26.474 -9.48252 TIMING: 3396200 CPU: 10729.4, 0.00318958/step Wall: 10729.4, 0.00318958/step, 1.42096 hours remaining, 235.859375 MB of memory in use. ENERGY: 3396200 4055.2021 20721.9310 14496.4398 261.4947 -203182.2199 2581.3400 0.0000 0.0000 52274.3054 -108791.5069 300.4212 -161065.8123 -108434.1308 300.2380 4.5935 33.9571 760814.7173 -12.9250 -13.0359 LDB: ============= START OF LOAD BALANCING ============== 10741.9 LDB: ============== END OF LOAD BALANCING =============== 10741.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10741.9 LDB: ============= START OF LOAD BALANCING ============== 10742.3 LDB: Largest compute 7033 load 0.033425 is 17.1% of average load 0.195632 LDB: Average compute 0.004368 is 2.2% of average load 0.195632 LDB: TIME 10742.3 LOAD: AVG 0.195632 MAX 0.214389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 10742.3 LOAD: AVG 0.195632 MAX 0.214389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 10742.3 LOAD: AVG 0.195632 MAX 0.214389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 10742.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10742.3 PRESSURE: 3396400 -172.784 15.6825 159.551 15.6822 -106.499 -5.05723 159.551 -5.05741 -166.819 GPRESSURE: 3396400 -166.153 94.9009 34.4988 61.7177 -72.962 -72.5124 180.802 99.0823 -120.444 PRESSAVG: 3396400 -31.2551 -50.2878 47.6668 -50.2878 14.647 9.18375 47.6668 9.18377 5.70175 GPRESSAVG: 3396400 -29.9776 -46.5894 47.1145 -51.5487 13.5013 8.006 49.8568 11.7914 5.97538 TIMING: 3396400 CPU: 10730.1, 0.00325513/step Wall: 10730.1, 0.00325513/step, 1.44998 hours remaining, 236.421875 MB of memory in use. ENERGY: 3396400 4015.0637 20792.8462 14438.3660 235.3029 -203105.7066 2245.3120 0.0000 0.0000 52445.2363 -108933.5794 301.4035 -161378.8157 -108570.1069 300.7838 -148.7004 -119.8530 760627.4684 -3.6354 -3.5003 PRESSURE: 3396600 -307.241 -32.0024 -72.6683 -32.0033 -203.262 -118.814 -72.6678 -118.814 59.7699 GPRESSURE: 3396600 -298.43 -41.7583 -2.89478 23.3431 -144.835 -52.2067 -24.2451 -121.395 64.4791 PRESSAVG: 3396600 -38.1212 -29.4705 -9.22021 -29.4705 31.0501 54.7501 -9.22024 54.7502 -9.78955 GPRESSAVG: 3396600 -39.1429 -31.0317 -9.34706 -27.5265 31.9643 57.2112 -9.50536 53.5117 -9.40582 TIMING: 3396600 CPU: 10730.7, 0.00320817/step Wall: 10730.7, 0.00320817/step, 1.42888 hours remaining, 236.625000 MB of memory in use. ENERGY: 3396600 3900.5556 20735.6775 14465.5648 242.0405 -203056.5528 2196.6492 0.0000 0.0000 52381.2390 -109134.8261 301.0357 -161516.0650 -108769.4517 300.4841 -150.2445 -126.2621 762031.5869 -5.6202 -5.5282 PRESSURE: 3396800 -70.2965 -37.6994 123.582 -37.6993 138.154 -47.3972 123.582 -47.3957 123.836 GPRESSURE: 3396800 -10.4212 -8.62873 80.1133 -38.9915 125.874 -59.2972 96.6972 -106.128 146.518 PRESSAVG: 3396800 -67.2645 -43.0403 -2.18951 -43.0403 93.527 18.0938 -2.18939 18.0939 -0.933005 GPRESSAVG: 3396800 -67.4425 -45.3372 -1.10406 -43.6 92.5822 17.7338 -3.60175 16.2513 -0.421312 TIMING: 3396800 CPU: 10731.3, 0.00322477/step Wall: 10731.3, 0.00322477/step, 1.4361 hours remaining, 236.625000 MB of memory in use. ENERGY: 3396800 4020.7615 20569.0741 14508.4068 238.8265 -203349.4063 2809.1885 0.0000 0.0000 52153.2632 -109049.8858 299.7255 -161203.1490 -108680.8143 300.7898 63.8980 87.3239 760548.7497 8.4432 8.2394 PRESSURE: 3397000 -137.475 -204.709 63.2585 -204.709 134.696 -155.291 63.2584 -155.291 -304.994 GPRESSURE: 3397000 -70.2316 -227.184 -55.5408 -210.041 135.929 -35.526 120.759 -68.7576 -285.305 PRESSAVG: 3397000 -21.6178 32.3953 46.0555 32.3953 26.724 27.7732 46.0555 27.7731 -8.53788 GPRESSAVG: 3397000 -21.6105 33.8314 43.7427 30.8617 28.2779 26.9194 46.6964 28.3812 -10.4944 TIMING: 3397000 CPU: 10732, 0.00319899/step Wall: 10732, 0.00319899/step, 1.42444 hours remaining, 236.625000 MB of memory in use. ENERGY: 3397000 4013.4201 20560.1457 14510.8702 240.4704 -203206.9086 2580.3226 0.0000 0.0000 52035.3903 -109266.2893 299.0481 -161301.6795 -108896.2796 300.0043 -102.5910 -73.2023 760985.3313 -1.1439 -1.2757 PRESSURE: 3397200 -56.4669 -28.0746 -83.0015 -28.0745 47.2463 123.893 -83.0009 123.894 -12.4648 GPRESSURE: 3397200 2.07818 24.4003 -83.1102 42.4826 30.1139 132.588 -128.736 73.3209 32.0225 PRESSAVG: 3397200 -83.2898 -35.9152 8.44445 -35.9152 30.0151 -45.1934 8.4444 -45.1934 7.60666 GPRESSAVG: 3397200 -83.8807 -36.066 11.2118 -35.635 29.8289 -44.8252 6.02949 -44.9944 8.16695 TIMING: 3397200 CPU: 10732.6, 0.0031904/step Wall: 10732.6, 0.0031904/step, 1.42044 hours remaining, 236.625000 MB of memory in use. ENERGY: 3397200 3994.3667 20578.4799 14541.9870 254.9699 -203252.1099 2495.9096 0.0000 0.0000 51968.1723 -109418.2246 298.6618 -161386.3968 -109061.3485 299.1686 -7.2285 21.4049 761001.0882 -15.2227 -15.2949 PRESSURE: 3397400 305.212 56.3702 90.5603 56.3699 383.619 -145.953 90.5615 -145.954 206.934 GPRESSURE: 3397400 482.852 35.289 135.472 20.0929 281.99 -179.892 92.8063 -122.25 220.662 PRESSAVG: 3397400 -29.7438 -9.95812 59.8348 -9.95807 57.9759 -60.0241 59.8348 -60.024 3.08937 GPRESSAVG: 3397400 -29.3312 -10.1744 59.2961 -9.09633 56.5258 -60.3922 61.8625 -57.9121 4.56211 TIMING: 3397400 CPU: 10733.3, 0.00320944/step Wall: 10733.3, 0.00320944/step, 1.42873 hours remaining, 236.625000 MB of memory in use. ENERGY: 3397400 3961.3098 20722.2207 14499.8241 241.3252 -203371.2040 2362.8576 0.0000 0.0000 52146.4802 -109437.1865 299.6865 -161583.6667 -109069.3374 298.8158 298.5885 328.5011 760273.4739 10.4405 10.5855 PRESSURE: 3397600 -201.326 -132.526 335.722 -132.526 -231.612 116.006 335.722 116.005 -97.3288 GPRESSURE: 3397600 -228.141 -37.691 213.632 -172.547 -124.184 216.004 360.474 44.6139 -111.596 PRESSAVG: 3397600 -50.9902 -8.34845 -6.2742 -8.34843 -2.48826 -12.2206 -6.27418 -12.2206 -20.1201 GPRESSAVG: 3397600 -51.1057 -7.84294 -8.41339 -6.51463 -1.47185 -13.1913 -6.48709 -15.9256 -20.5828 TIMING: 3397600 CPU: 10733.9, 0.00320755/step Wall: 10733.9, 0.00320755/step, 1.42772 hours remaining, 236.625000 MB of memory in use. ENERGY: 3397600 4005.0811 20597.9844 14529.8480 252.4946 -203344.8425 2544.0899 0.0000 0.0000 51923.5907 -109491.7540 298.4056 -161415.3446 -109127.0672 299.0527 -176.7556 -154.6405 761353.3553 -24.5328 -24.3868 PRESSURE: 3397800 -54.4814 10.677 137.538 10.6767 33.8673 27.9772 137.539 27.9768 -25.8496 GPRESSURE: 3397800 -60.1507 -83.5934 208.206 42.0421 85.5551 -28.1223 137.808 66.4685 -4.0685 PRESSAVG: 3397800 20.0779 31.3178 -11.4984 31.3178 -28.6765 20.8806 -11.4984 20.8807 28.3944 GPRESSAVG: 3397800 18.5507 32.4172 -10.7525 29.1426 -26.7007 21.9529 -11.4005 21.5365 28.0349 TIMING: 3397800 CPU: 10734.5, 0.0031945/step Wall: 10734.5, 0.0031945/step, 1.42173 hours remaining, 236.625000 MB of memory in use. ENERGY: 3397800 3986.6700 20643.4794 14452.5277 233.7964 -203434.2713 2628.1447 0.0000 0.0000 52303.9382 -109185.7148 300.5915 -161489.6531 -108824.0791 299.3715 -15.4879 7.1120 762009.4415 6.5986 6.6283 PRESSURE: 3398000 -160.752 161.798 -288.129 161.798 -144.545 -187.991 -288.13 -187.991 25.4688 GPRESSURE: 3398000 -22.3755 161.152 -231.784 166.075 -175.635 -39.4576 -292.51 -154.684 10.5596 PRESSAVG: 3398000 -0.0396484 48.1059 -45.7994 48.1059 31.6119 38.7658 -45.7994 38.7659 10.0636 GPRESSAVG: 3398000 1.70314 47.8019 -43.3176 48.5849 30.8244 40.8084 -46.3427 38.7356 9.35426 TIMING: 3398000 CPU: 10735.2, 0.00320683/step Wall: 10735.2, 0.00320683/step, 1.42704 hours remaining, 236.625000 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: 3398000 3934.0497 20535.1419 14487.4268 240.0915 -203063.2283 2621.2260 0.0000 0.0000 52117.5005 -109127.7920 299.5200 -161245.2925 -108757.3478 299.7092 -93.2760 -62.4837 761962.0278 13.8786 13.9606 PRESSURE: 3398200 6.49306 -58.4889 322.89 -58.4883 -267.93 129.297 322.889 129.297 -72.2411 GPRESSURE: 3398200 98.3941 -5.42214 270.747 -63.5311 -296.697 88.6752 362.222 42.0071 -46.6454 PRESSAVG: 3398200 -3.84884 -2.30199 -33.3269 -2.30195 6.11262 53.0982 -33.3269 53.0982 -5.04728 GPRESSAVG: 3398200 -4.06617 -3.16774 -34.2296 -0.967723 4.61824 53.0574 -33.1012 52.5688 -3.01922 TIMING: 3398200 CPU: 10735.8, 0.00319697/step Wall: 10735.8, 0.00319697/step, 1.42247 hours remaining, 236.625000 MB of memory in use. ENERGY: 3398200 4002.9642 20692.3009 14433.7562 250.2747 -202928.4704 2420.4777 0.0000 0.0000 52014.7330 -109113.9637 298.9294 -161128.6967 -108746.1447 299.9972 -111.2260 -81.6496 762080.9263 -0.9278 -0.8224 PRESSURE: 3398400 -93.7815 -138.452 14.8375 -138.452 99.3138 97.2118 14.8379 97.2114 197.827 GPRESSURE: 3398400 -27.2312 -150.378 -29.1647 -35.9363 136.829 95.3393 57.445 232.561 162.411 PRESSAVG: 3398400 -10.552 -63.4908 70.5147 -63.4908 25.2189 -11.0449 70.5148 -11.045 11.5294 GPRESSAVG: 3398400 -11.2247 -64.3625 71.7428 -63.8108 25.4863 -11.5349 69.6453 -9.85023 11.6365 TIMING: 3398400 CPU: 10736.5, 0.00321129/step Wall: 10736.5, 0.00321129/step, 1.42867 hours remaining, 236.625000 MB of memory in use. ENERGY: 3398400 3990.1128 20484.3834 14422.9294 245.9732 -203223.3091 2752.5427 0.0000 0.0000 52239.7665 -109087.6011 300.2227 -161327.3675 -108727.4057 299.8290 67.7863 90.6696 761778.5944 8.7321 8.6327 PRESSURE: 3398600 -45.7442 -107.464 83.1389 -107.465 124.732 112.17 83.139 112.172 -190.587 GPRESSURE: 3398600 29.8762 -68.6048 -41.7907 -99.8935 158.456 37.3401 61.2731 183.176 -225.391 PRESSAVG: 3398600 -4.6296 -48.8194 42.8999 -48.8194 8.93689 -6.44495 42.8998 -6.44495 9.85374 GPRESSAVG: 3398600 -3.48514 -46.6618 40.3127 -50.5036 8.6271 -8.96406 43.6912 -4.97843 9.16492 TIMING: 3398600 CPU: 10737.1, 0.00317742/step Wall: 10737.1, 0.00317742/step, 1.41342 hours remaining, 236.625000 MB of memory in use. ENERGY: 3398600 3958.1272 20664.6093 14499.0572 231.4401 -203088.5760 2461.1081 0.0000 0.0000 52198.4306 -109075.8035 299.9851 -161274.2342 -108708.8643 300.1137 -37.1996 -12.3530 761336.6616 4.7203 4.7690 PRESSURE: 3398800 -170.075 9.97071 -209.891 9.97056 178.693 -57.7442 -209.891 -57.7455 532.457 GPRESSURE: 3398800 -136.424 -27.2052 -220.757 1.95193 289.8 -16.8297 -92.6726 -240.323 463.546 PRESSAVG: 3398800 -40.6659 6.88172 -11.2202 6.88171 15.2522 -12.5208 -11.2202 -12.5208 -7.80468 GPRESSAVG: 3398800 -40.8656 4.69026 -11.1639 7.9378 15.6289 -12.1863 -9.4282 -15.214 -8.08124 TIMING: 3398800 CPU: 10737.7, 0.00318535/step Wall: 10737.7, 0.00318535/step, 1.41677 hours remaining, 236.625000 MB of memory in use. ENERGY: 3398800 3951.8659 20587.8373 14434.9299 237.4012 -203343.0179 2742.4760 0.0000 0.0000 52346.5994 -109041.9083 300.8366 -161388.5078 -108675.8679 299.8712 180.3580 205.6409 760744.0296 -11.0728 -11.1060 PRESSURE: 3399000 -229.537 -60.8572 -38.2116 -60.857 -174.071 77.4083 -38.2107 77.4081 -46.4414 GPRESSURE: 3399000 -141.385 -38.4733 13.2376 20.9777 -170.498 -8.86619 29.503 84.7959 -44.4315 PRESSAVG: 3399000 -52.4339 -14.4358 -11.0311 -14.4359 -15.9886 17.5245 -11.0311 17.5245 1.01433 GPRESSAVG: 3399000 -54.1513 -12.7815 -11.4329 -12.3967 -14.4161 18.2558 -10.3369 19.6878 1.13067 TIMING: 3399000 CPU: 10738.4, 0.00316731/step Wall: 10738.4, 0.00316731/step, 1.40858 hours remaining, 236.625000 MB of memory in use. ENERGY: 3399000 3987.2614 20574.6052 14513.6357 267.7556 -203129.9775 2684.2057 0.0000 0.0000 51976.0989 -109126.4150 298.7074 -161102.5138 -108763.7847 300.2692 -150.0163 -118.7713 761959.9297 -22.4694 -22.4789 PRESSURE: 3399200 212.341 -163.525 133.58 -163.525 131.679 -57.0264 133.58 -57.0247 78.9208 GPRESSURE: 3399200 237.289 -171.619 218.796 -218.342 232.286 -136.745 106.89 142.205 50.2996 PRESSAVG: 3399200 -22.5158 1.16881 29.0384 1.16882 26.9383 32.4815 29.0384 32.4815 -24.2097 GPRESSAVG: 3399200 -21.5717 0.476489 29.8766 -2.08006 26.9335 33.3896 25.7357 32.7448 -24.963 TIMING: 3399200 CPU: 10739, 0.00318473/step Wall: 10739, 0.00318473/step, 1.41614 hours remaining, 236.625000 MB of memory in use. ENERGY: 3399200 3900.1295 20644.4912 14414.9529 237.9688 -203498.1502 2944.0554 0.0000 0.0000 52276.0488 -109080.5037 300.4312 -161356.5524 -108720.5756 300.0212 140.9803 173.2915 762208.0478 -6.5957 -6.5338 PRESSURE: 3399400 91.2586 -129.425 31.0743 -129.425 -193.669 53.1647 31.0749 53.165 -129.23 GPRESSURE: 3399400 184.995 -54.0571 57.9892 -166.973 -269.186 133.932 61.9482 88.3973 -87.1757 PRESSAVG: 3399400 35.9645 -20.8024 15.5747 -20.8023 16.9022 12.6312 15.5747 12.6312 6.98201 GPRESSAVG: 3399400 35.6679 -21.1479 14.8347 -19.6307 16.5449 11.6195 16.4706 12.5624 8.2636 TIMING: 3399400 CPU: 10739.6, 0.0031646/step Wall: 10739.6, 0.0031646/step, 1.40702 hours remaining, 236.625000 MB of memory in use. ENERGY: 3399400 3972.5211 20644.7399 14477.9332 265.1412 -202775.0906 2259.4849 0.0000 0.0000 52048.3444 -109106.9259 299.1226 -161155.2703 -108749.3030 299.7016 -77.2133 -57.1222 762247.1900 19.9496 20.1588 PRESSURE: 3399600 -233.125 -9.11469 168.173 -9.11329 219.96 -60.6952 168.173 -60.695 -4.05514 GPRESSURE: 3399600 -165.654 16.9362 102.696 -129.38 243.585 -93.4132 191.812 -121.043 -32.452 PRESSAVG: 3399600 -22.2755 -2.41525 14.6624 -2.41524 -10.775 58.8152 14.6624 58.8152 -33.363 GPRESSAVG: 3399600 -22.1792 -2.68992 14.2696 -3.00418 -11.4811 58.8777 15.051 58.0952 -32.1975 TIMING: 3399600 CPU: 10740.3, 0.00319947/step Wall: 10740.3, 0.00319947/step, 1.42234 hours remaining, 236.613281 MB of memory in use. ENERGY: 3399600 3997.2690 20526.0641 14473.3108 224.4991 -203191.0061 2590.5786 0.0000 0.0000 52396.8437 -108982.4407 301.1254 -161379.2845 -108613.3074 300.1810 -5.7401 15.1598 761751.9900 -22.1378 -21.9526 PRESSURE: 3399800 72.9305 -165.775 -240.525 -165.775 141.881 -372.543 -240.527 -372.543 -102.968 GPRESSURE: 3399800 33.8923 1.66691 -297.192 -241.863 271.788 -317.262 -91.8689 -191.917 -132.64 PRESSAVG: 3399800 -50.5175 -38.468 -13.1779 -38.4681 25.6469 -57.7972 -13.178 -57.7972 26.8524 GPRESSAVG: 3399800 -50.1792 -38.6137 -13.3732 -37.1842 26.3291 -57.5093 -12.1669 -56.3351 25.6313 TIMING: 3399800 CPU: 10740.9, 0.0032179/step Wall: 10740.9, 0.0032179/step, 1.43036 hours remaining, 236.613281 MB of memory in use. ENERGY: 3399800 3963.4715 20600.8781 14445.7574 247.4136 -203371.1575 2910.9852 0.0000 0.0000 52078.3573 -109124.2945 299.2950 -161202.6517 -108755.8319 300.0323 37.2812 57.6803 762578.9490 0.6606 0.5937 PRESSURE: 3400000 -245.342 -166.118 121.939 -166.118 -311.111 -39.957 121.939 -39.9574 80.4692 GPRESSURE: 3400000 -231.714 -129.003 100.521 -191.622 -214.913 -17.2908 -81.744 -125.268 79.1632 PRESSAVG: 3400000 -6.11713 -58.6645 47.8059 -58.6645 -6.16283 -20.884 47.8059 -20.884 6.96195 GPRESSAVG: 3400000 -5.42253 -57.5848 49.263 -59.8621 -6.12716 -21.4389 45.5742 -22.6336 6.49583 TIMING: 3400000 CPU: 10741.6, 0.00323523/step Wall: 10741.6, 0.00323523/step, 1.43788 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: 3400000 3986.8744 20633.4199 14420.1120 235.9099 -203204.6446 2594.3848 0.0000 0.0000 52182.1171 -109151.8264 299.8913 -161333.9435 -108790.0200 299.9600 -158.6613 -122.4880 761232.0047 -1.7727 -1.6846 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 WRITING COORDINATES TO DCD FILE MD.1.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: 3400200 18.612 -255.494 -67.4064 -255.495 -154.632 14.8538 -67.4075 14.8543 -3.65742 GPRESSURE: 3400200 56.8504 -262.736 -55.5267 -304.003 -35.1201 56.5037 -42.5886 69.7152 -73.4262 PRESSAVG: 3400200 -22.9305 -55.4902 15.1726 -55.4902 -8.32646 42.9862 15.1726 42.9862 -25.0386 GPRESSAVG: 3400200 -23.8899 -55.1467 15.3186 -55.6962 -7.11398 44.0358 17.1628 44.2427 -24.9473 TIMING: 3400200 CPU: 10742.3, 0.00339752/step Wall: 10742.3, 0.00339752/step, 1.50982 hours remaining, 236.695312 MB of memory in use. ENERGY: 3400200 4023.4027 20446.4778 14452.3968 251.9967 -202923.7661 2455.4620 0.0000 0.0000 52229.1384 -109064.8916 300.1616 -161294.0300 -108691.2411 299.5253 -46.5591 -17.2320 762783.7625 -18.7652 -18.6504 LDB: ============= START OF LOAD BALANCING ============== 10754.8 LDB: ============== END OF LOAD BALANCING =============== 10754.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10754.8 LDB: ============= START OF LOAD BALANCING ============== 10755.1 LDB: Largest compute 7033 load 0.034342 is 17.6% of average load 0.195653 LDB: Average compute 0.004364 is 2.2% of average load 0.195653 LDB: TIME 10755.1 LOAD: AVG 0.195653 MAX 0.217125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.684 MB LDB: TIME 10755.1 LOAD: AVG 0.195653 MAX 0.217125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.684 MB LDB: TIME 10755.1 LOAD: AVG 0.195653 MAX 0.217125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.684 MB LDB: ============== END OF LOAD BALANCING =============== 10755.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10755.1 PRESSURE: 3400400 -129.963 -138.421 -148.944 -138.422 -79.3334 81.662 -148.944 81.6617 89.7859 GPRESSURE: 3400400 -158.056 -80.1066 -222.538 -152.869 14 171.72 -108.625 51.8208 132.33 PRESSAVG: 3400400 -11.8522 -40.9449 26.5523 -40.9449 5.9765 6.22448 26.5523 6.22442 -17.0513 GPRESSAVG: 3400400 -10.4825 -41.1784 24.8625 -40.7062 4.69188 6.54108 26.5155 5.48123 -16.9324 TIMING: 3400400 CPU: 10742.9, 0.00324768/step Wall: 10742.9, 0.00324768/step, 1.44305 hours remaining, 234.738281 MB of memory in use. ENERGY: 3400400 3952.1138 20556.3355 14551.2001 263.5571 -203263.2317 2753.9723 0.0000 0.0000 52181.1756 -109004.8774 299.8859 -161186.0530 -108648.3250 299.3141 -39.8369 -3.9088 762045.7314 -7.6423 -7.5743 PRESSURE: 3400600 -35.2418 46.3003 87.1091 46.3002 -30.4922 -158.463 87.1091 -158.464 -61.5955 GPRESSURE: 3400600 50.1542 -19.8802 84.2099 28.7898 12.3403 -91.2124 11.0045 -24.2767 -125.329 PRESSAVG: 3400600 35.3009 -32.2734 -5.42328 -32.2734 -29.5053 15.5118 -5.42329 15.5119 17.3013 GPRESSAVG: 3400600 35.1436 -32.8433 -5.8536 -32.4239 -30.1638 12.6024 -5.07814 15.4491 17.2502 TIMING: 3400600 CPU: 10743.5, 0.00320186/step Wall: 10743.5, 0.00320186/step, 1.42251 hours remaining, 234.996094 MB of memory in use. ENERGY: 3400600 4047.0922 20601.3991 14553.3459 258.4226 -203131.5053 2364.4037 0.0000 0.0000 52166.9765 -109139.8653 299.8043 -161306.8417 -108775.6567 300.0720 -42.4432 -20.9448 761987.4504 7.6990 7.4100 PRESSURE: 3400800 -170.6 82.5636 177.481 82.5631 -132.069 204.794 177.48 204.794 243.54 GPRESSURE: 3400800 -155.832 96.6952 155.296 -15.7393 -57.8616 145.011 245.645 166.421 242.904 PRESSAVG: 3400800 29.6083 -4.36729 4.68393 -4.36732 -63.2683 -15.6946 4.684 -15.6946 -7.15781 GPRESSAVG: 3400800 28.6528 -4.17811 5.86865 -5.01545 -63.1634 -13.6618 5.22147 -15.1941 -7.16161 TIMING: 3400800 CPU: 10744.2, 0.0032183/step Wall: 10744.2, 0.0032183/step, 1.42964 hours remaining, 234.996094 MB of memory in use. ENERGY: 3400800 3987.0615 20589.2733 14506.0418 235.4191 -202978.0225 2349.5608 0.0000 0.0000 52299.7833 -109010.8826 300.5676 -161310.6659 -108649.6109 299.9667 -19.7094 9.7368 761678.2559 -13.6059 -13.8907 PRESSURE: 3401000 -307.662 -50.3302 -179.109 -50.3311 -60.9815 -85.8002 -179.109 -85.8 -18.8583 GPRESSURE: 3401000 -319.785 -172.235 -142.646 1.06478 -35.8989 -12.5168 -142.712 15.5498 34.9464 PRESSAVG: 3401000 -36.7149 -17.5467 23.0304 -17.5467 22.7411 20.8781 23.0304 20.8782 8.63338 GPRESSAVG: 3401000 -38.3295 -16.5557 24.8328 -16.6303 23.1662 21.5101 21.4023 21.0951 10.1231 TIMING: 3401000 CPU: 10744.8, 0.00320483/step Wall: 10744.8, 0.00320483/step, 1.42348 hours remaining, 234.996094 MB of memory in use. ENERGY: 3401000 4019.1568 20406.6874 14543.2607 236.2362 -202841.5239 2539.7057 0.0000 0.0000 52024.1917 -109072.2854 298.9837 -161096.4771 -108703.3210 299.5242 -129.1674 -106.9126 763324.4440 -1.7801 -1.6801 PRESSURE: 3401200 51.2042 51.655 -170.948 51.6554 -59.1108 -291.936 -170.947 -291.935 -312.063 GPRESSURE: 3401200 40.7179 -41.9935 -212.027 -37.6635 -41.4562 -355.957 -177.424 -228.253 -246.003 PRESSAVG: 3401200 18.3677 -71.95 24.0277 -71.95 -44.3557 -54.9259 24.0277 -54.9258 12.8977 GPRESSAVG: 3401200 19.9691 -73.6042 23.0537 -72.7158 -43.8874 -57.1691 24.451 -53.8073 11.2469 TIMING: 3401200 CPU: 10745.5, 0.0032017/step Wall: 10745.5, 0.0032017/step, 1.42191 hours remaining, 235.066406 MB of memory in use. ENERGY: 3401200 3952.9504 20266.4326 14495.2532 251.1123 -203770.7975 2939.1417 0.0000 0.0000 52726.6412 -109139.2661 303.0207 -161865.9073 -108769.7155 299.5215 -106.6564 -82.2472 761491.5251 -4.3634 -4.2238 PRESSURE: 3401400 59.2047 -23.234 10.1063 -23.2346 -197.079 35.199 10.1066 35.199 -484.299 GPRESSURE: 3401400 147.578 -35.3139 -10.7548 -29.4152 -203.162 62.7815 -168.123 55.3568 -476.58 PRESSAVG: 3401400 -20.0099 -2.18224 16.674 -2.18225 0.075799 -8.04184 16.6739 -8.04175 -10.8691 GPRESSAVG: 3401400 -20.5806 -1.29494 15.3394 -1.71964 0.0266354 -8.05651 16.898 -9.55776 -9.72123 TIMING: 3401400 CPU: 10746.1, 0.00322485/step Wall: 10746.1, 0.00322485/step, 1.43201 hours remaining, 235.066406 MB of memory in use. ENERGY: 3401400 4044.5568 20391.5789 14477.5028 234.4809 -203188.0089 2362.5990 0.0000 0.0000 52381.8471 -109295.4435 301.0392 -161677.2906 -108917.0243 299.7506 -207.3911 -177.3881 760814.0683 -10.2678 -10.0917 PRESSURE: 3401600 95.3238 -94.8501 -127.958 -94.8501 -184.85 -62.363 -127.957 -62.3632 -39.7189 GPRESSURE: 3401600 126.308 -127.078 -181.558 -52.619 -116.21 -12.0577 -127.688 -13.5539 -68.6276 PRESSAVG: 3401600 83.1555 -12.8631 10.124 -12.8631 -46.3214 -0.137779 10.124 -0.137784 2.31607 GPRESSAVG: 3401600 83.2177 -11.0788 10.032 -13.1464 -46.2355 0.963233 10.6661 -0.695042 1.90524 TIMING: 3401600 CPU: 10746.8, 0.00320146/step Wall: 10746.8, 0.00320146/step, 1.42145 hours remaining, 235.066406 MB of memory in use. ENERGY: 3401600 3963.0693 20613.3764 14467.6316 259.1718 -203133.1547 2450.9142 0.0000 0.0000 52182.3502 -109196.6412 299.8927 -161378.9914 -108836.0744 299.6345 -43.0817 -19.5099 760323.2602 13.0501 12.9625 PRESSURE: 3401800 288.556 5.1455 203.899 5.1459 -25.426 -24.2625 203.899 -24.2614 139.738 GPRESSURE: 3401800 340.907 -24.6752 208.189 -79.8191 -38.7923 -69.5528 79.5832 1.61736 182.213 PRESSAVG: 3401800 78.9892 -66.1739 37.0766 -66.1739 -10.6023 -27.1829 37.0766 -27.1829 7.28439 GPRESSAVG: 3401800 80.0531 -68.7212 37.8145 -64.7944 -11.2047 -27.94 35.942 -26.5551 6.93333 TIMING: 3401800 CPU: 10747.4, 0.00317092/step Wall: 10747.4, 0.00317092/step, 1.40771 hours remaining, 235.066406 MB of memory in use. ENERGY: 3401800 3951.3184 20651.0768 14455.6342 242.6400 -203419.3588 2875.4068 0.0000 0.0000 51765.3493 -109477.9335 297.4962 -161243.2827 -109116.4767 299.4213 134.2893 161.4426 760836.5592 25.2238 25.2606 PRESSURE: 3402000 -95.6881 -134.68 -106.266 -134.679 234.771 -210.53 -106.266 -210.531 144.468 GPRESSURE: 3402000 -76.0678 -51.7309 -99.1434 -175.474 274.295 -97.2173 -152.348 -275.135 164.288 PRESSAVG: 3402000 29.5739 -54.0518 15.0803 -54.0518 -33.4006 -14.5979 15.0803 -14.5979 19.8828 GPRESSAVG: 3402000 30.0218 -50.7377 16.3656 -56.1236 -34.3274 -15.9102 14.209 -13.832 20.5638 TIMING: 3402000 CPU: 10748, 0.00316308/step Wall: 10748, 0.00316308/step, 1.40405 hours remaining, 235.066406 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: 3402000 4040.5896 20563.3298 14495.0650 247.5970 -203814.8618 2978.9943 0.0000 0.0000 51958.2402 -109531.0459 298.6047 -161489.2861 -109165.3581 299.0957 94.5167 120.8384 760001.2663 5.3521 5.4194 PRESSURE: 3402200 -176.118 -74.7643 -41.4172 -74.7645 -386.212 -42.0955 -41.417 -42.0942 -170.997 GPRESSURE: 3402200 -168.355 -20.6701 -2.79785 -79.4012 -283.81 53.8295 -48.9593 -111.583 -203.393 PRESSAVG: 3402200 32.4956 25.0063 -12.3884 25.0064 -26.8679 -25.4228 -12.3884 -25.4228 -4.62877 GPRESSAVG: 3402200 32.705 21.29 -13.0986 26.9792 -27.4664 -24.6218 -8.65435 -27.3936 -3.40288 TIMING: 3402200 CPU: 10748.7, 0.00315993/step Wall: 10748.7, 0.00315993/step, 1.40248 hours remaining, 235.066406 MB of memory in use. ENERGY: 3402200 3986.4443 20571.4285 14508.6528 241.8025 -203199.7627 2391.9180 0.0000 0.0000 51881.9336 -109617.5831 298.1662 -161499.5166 -109249.9388 299.2770 -244.4427 -218.5194 762019.2307 0.3330 0.6119 PRESSURE: 3402400 -44.1752 -158.446 118.415 -158.447 -113.837 -61.3633 118.414 -61.3621 502.022 GPRESSURE: 3402400 63.4957 -43.2111 149.384 -130.367 -113.745 -43.9431 82.7084 -39.5305 480.518 PRESSAVG: 3402400 8.58713 11.0361 -16.0555 11.0361 22.8275 -9.25267 -16.0556 -9.2527 -0.481544 GPRESSAVG: 3402400 7.54575 11.3584 -16.3259 8.43624 25.3958 -9.38412 -19.2156 -10.0933 -2.28622 TIMING: 3402400 CPU: 10749.3, 0.00318141/step Wall: 10749.3, 0.00318141/step, 1.41184 hours remaining, 235.066406 MB of memory in use. ENERGY: 3402400 4024.0890 20400.3950 14475.4250 264.5293 -203108.6006 2186.5408 0.0000 0.0000 51941.9475 -109815.6740 298.5111 -161757.6215 -109457.7645 298.4956 114.6698 143.4228 762198.0990 10.3110 10.2185 PRESSURE: 3402600 -30.7513 -34.2163 162.472 -34.2169 -130.975 -181.058 162.471 -181.058 -274.248 GPRESSURE: 3402600 -58.2836 34.6952 103.261 -26.5305 -60.0917 -204.646 250.908 -244.669 -237.645 PRESSAVG: 3402600 -16.7334 -34.4143 35.709 -34.4143 22.3938 -27.1454 35.709 -27.1453 14.0477 GPRESSAVG: 3402600 -16.5473 -33.6389 34.7308 -33.0221 20.9709 -27.797 37.3442 -25.4918 14.779 TIMING: 3402600 CPU: 10749.9, 0.00315925/step Wall: 10749.9, 0.00315925/step, 1.40183 hours remaining, 235.066406 MB of memory in use. ENERGY: 3402600 4000.0206 20389.8150 14552.0103 248.0722 -203345.9806 2600.1913 0.0000 0.0000 51780.9872 -109774.8841 297.5860 -161555.8713 -109412.7505 298.3594 -145.3248 -118.6733 760568.5236 6.5694 6.4008 PRESSURE: 3402800 190.017 -85.9369 -56.7248 -85.9379 85.1851 48.0162 -56.7246 48.0154 109.143 GPRESSURE: 3402800 299.577 -21.0645 -73.8416 -97.7907 124.728 32.5846 -68.7759 99.0538 37.7325 PRESSAVG: 3402800 -46.6731 -23.0909 -21.8891 -23.0909 70.6912 -11.0045 -21.8891 -11.0045 -8.80908 GPRESSAVG: 3402800 -46.6403 -24.2058 -21.1938 -24.1113 70.7578 -10.035 -23.3148 -11.0872 -9.23764 TIMING: 3402800 CPU: 10750.6, 0.0031739/step Wall: 10750.6, 0.0031739/step, 1.40815 hours remaining, 235.066406 MB of memory in use. ENERGY: 3402800 3944.8185 20672.1450 14570.4614 256.6951 -203943.7367 2869.6122 0.0000 0.0000 52029.4285 -109600.5760 299.0138 -161630.0044 -109245.8276 299.2917 128.1152 154.0125 759958.7658 5.0696 4.9600 PRESSURE: 3403000 -346.718 -222.711 -99.9824 -222.712 -206.903 -382.633 -99.9839 -382.633 130.167 GPRESSURE: 3403000 -247.583 -240.59 -101.389 -142.683 -155.379 -337.756 -130.985 -341.592 65.2338 PRESSAVG: 3403000 -20.6138 -46.2285 12.4451 -46.2285 55.1566 -28.3678 12.4451 -28.3678 -0.374897 GPRESSAVG: 3403000 -21.6389 -44.7244 13.7709 -43.0683 55.8196 -28.3484 12.9963 -30.0018 0.19949 TIMING: 3403000 CPU: 10751.2, 0.00317961/step Wall: 10751.2, 0.00317961/step, 1.41051 hours remaining, 235.066406 MB of memory in use. ENERGY: 3403000 4007.7936 20594.0234 14413.8221 251.5460 -203251.7118 2491.2055 0.0000 0.0000 51857.4343 -109635.8870 298.0254 -161493.3213 -109281.9609 299.3585 -141.1512 -112.5761 760822.1139 11.3893 11.4601 PRESSURE: 3403200 279.226 -169.719 14.1635 -169.719 169.824 57.3007 14.164 57.301 -269.37 GPRESSURE: 3403200 256.958 -141.398 -34.766 -162.019 203.009 59.4876 -132.331 -78.1063 -201.748 PRESSAVG: 3403200 -20.587 -2.31218 -31.6896 -2.31213 58.6795 -68.2436 -31.6896 -68.2436 -4.8428 GPRESSAVG: 3403200 -22.0378 -4.2392 -31.7682 -1.47323 58.7693 -70.2616 -33.1382 -67.1714 -3.91633 TIMING: 3403200 CPU: 10751.8, 0.00317118/step Wall: 10751.8, 0.00317118/step, 1.4066 hours remaining, 235.066406 MB of memory in use. ENERGY: 3403200 3928.5911 20620.4920 14476.8223 243.0286 -203228.1306 2550.6274 0.0000 0.0000 51781.3246 -109627.2446 297.5880 -161408.5692 -109271.1602 298.8910 59.8933 86.0729 761498.8646 11.0833 10.9384 PRESSURE: 3403400 265.573 -78.8826 -107.322 -78.8828 54.2209 217.337 -107.323 217.336 217.792 GPRESSURE: 3403400 273.693 -29.1941 -134.669 -186.546 116.976 152.597 -22.572 165.647 228.162 PRESSAVG: 3403400 -24.3054 -47.1069 -34.6288 -47.107 33.833 -27.2462 -34.6288 -27.2462 36.0765 GPRESSAVG: 3403400 -23.0477 -46.8138 -35.6631 -48.6508 34.5582 -26.4242 -32.9661 -26.8161 33.8856 TIMING: 3403400 CPU: 10752.5, 0.00318618/step Wall: 10752.5, 0.00318618/step, 1.41307 hours remaining, 235.066406 MB of memory in use. ENERGY: 3403400 4012.7024 20594.5588 14497.8119 239.9283 -203753.8594 2788.2627 0.0000 0.0000 52064.8677 -109555.7276 299.2175 -161620.5952 -109189.1583 299.2168 179.1952 206.2771 760208.2797 15.2013 15.1321 PRESSURE: 3403600 -288.867 -15.8072 -241.333 -15.8066 88.5235 -113.991 -241.332 -113.992 -27.9296 GPRESSURE: 3403600 -277.171 -130.245 -201.456 -38.2876 182.859 -71.3558 -271.306 -150.324 -65.9095 PRESSAVG: 3403600 -17.057 -25.1381 -64.5456 -25.1381 -3.81107 3.92657 -64.5456 3.92657 9.40256 GPRESSAVG: 3403600 -17.1368 -26.8635 -64.0705 -23.5735 -4.50034 4.52194 -66.5541 3.81375 10.4223 TIMING: 3403600 CPU: 10753.1, 0.00319071/step Wall: 10753.1, 0.00319071/step, 1.4149 hours remaining, 235.066406 MB of memory in use. ENERGY: 3403600 3951.4544 20371.7313 14494.9582 255.4389 -203230.1565 2530.8456 0.0000 0.0000 52070.8330 -109554.8951 299.2518 -161625.7281 -109179.7736 299.1179 -76.0911 -53.4072 762155.1650 -3.8218 -3.7383 PRESSURE: 3403800 -3.61192 -82.3134 51.5433 -82.3155 -299.274 203.202 51.5429 203.202 124.944 GPRESSURE: 3403800 -29.1105 -171.417 119.56 -73.1866 -206.897 172.566 139.389 307.706 112.206 PRESSAVG: 3403800 -2.05026 -9.9772 -43.2272 -9.97718 -15.3797 39.8337 -43.2272 39.8336 -24.3356 GPRESSAVG: 3403800 -2.88194 -7.835 -43.8594 -11.8506 -15.96 39.5331 -41.9475 39.4871 -23.4694 TIMING: 3403800 CPU: 10753.7, 0.00318785/step Wall: 10753.7, 0.00318785/step, 1.41346 hours remaining, 235.066406 MB of memory in use. ENERGY: 3403800 3960.7025 20497.4920 14491.0369 253.5805 -203277.0335 2411.1307 0.0000 0.0000 52158.3201 -109504.7707 299.7546 -161663.0908 -109146.6687 299.1875 -59.3140 -41.2672 760846.8904 -13.9219 -14.1038 PRESSURE: 3404000 206.003 0.476701 27.2845 0.476091 106.89 -117.406 27.284 -117.406 -311.034 GPRESSURE: 3404000 222.351 40.7053 -64.4711 -51.581 183.175 -158.567 -33.7824 34.96 -318.673 PRESSAVG: 3404000 11.4551 -30.2607 -25.3936 -30.2607 13.2301 10.6753 -25.3936 10.6753 15.7956 GPRESSAVG: 3404000 12.5797 -29.2799 -24.3856 -30.2083 12.5088 10.2942 -25.5658 12.8971 15.0947 TIMING: 3404000 CPU: 10754.4, 0.00322995/step Wall: 10754.4, 0.00322995/step, 1.43194 hours remaining, 235.066406 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: 3404000 3987.1798 20560.5178 14508.1425 229.5852 -203347.6228 2534.5614 0.0000 0.0000 51892.7207 -109634.9154 298.2282 -161527.6361 -109271.1662 298.6471 0.6195 28.9507 761144.7816 13.4936 13.3944 PRESSURE: 3404200 -186.294 287.533 -99.8061 287.534 -318.614 271.596 -99.806 271.595 -213.39 GPRESSURE: 3404200 -127.364 284.259 -30.0269 231.964 -352.456 310.568 -139.581 133.335 -158.391 PRESSAVG: 3404200 78.8453 21.9506 -11.0946 21.9505 -72.3333 34.6115 -11.0946 34.6115 -9.25971 GPRESSAVG: 3404200 78.051 20.53 -14.9578 21.4825 -71.9863 36.2097 -9.30006 30.9865 -8.97543 TIMING: 3404200 CPU: 10755, 0.00318912/step Wall: 10755, 0.00318912/step, 1.41367 hours remaining, 235.066406 MB of memory in use. ENERGY: 3404200 3983.6860 20354.5242 14467.5769 251.0759 -203300.9410 2551.8657 0.0000 0.0000 51883.0730 -109809.1392 298.1727 -161692.2122 -109458.7661 298.2320 -239.4325 -212.7369 760847.3523 -0.9159 -0.9702 LDB: ============= START OF LOAD BALANCING ============== 10767.6 LDB: ============== END OF LOAD BALANCING =============== 10767.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10767.6 LDB: ============= START OF LOAD BALANCING ============== 10767.9 LDB: Largest compute 7033 load 0.032189 is 16.5% of average load 0.195591 LDB: Average compute 0.004367 is 2.2% of average load 0.195591 LDB: TIME 10767.9 LOAD: AVG 0.195591 MAX 0.215568 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.793 MB LDB: TIME 10767.9 LOAD: AVG 0.195591 MAX 0.215568 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.863 MB LDB: TIME 10767.9 LOAD: AVG 0.195591 MAX 0.215568 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.863 MB LDB: ============== END OF LOAD BALANCING =============== 10767.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10767.9 PRESSURE: 3404400 -301.671 -104.173 107.935 -104.174 -217.553 57.4375 107.934 57.4379 139.339 GPRESSURE: 3404400 -233.034 -96.5257 75.2714 -56.8864 -188.788 187.821 69.4215 120.721 125.854 PRESSAVG: 3404400 17.5166 -10.5034 42.1356 -10.5035 -47.5723 -9.56874 42.1357 -9.56872 26.2133 GPRESSAVG: 3404400 17.3682 -10.2472 44.623 -9.48262 -46.6875 -7.60263 39.1744 -10.2851 25.6529 TIMING: 3404400 CPU: 10755.7, 0.00325181/step Wall: 10755.7, 0.00325181/step, 1.44127 hours remaining, 235.250000 MB of memory in use. ENERGY: 3404400 4013.8689 20472.9098 14494.2739 243.1985 -203251.2826 2517.2894 0.0000 0.0000 51701.2291 -109808.5130 297.1277 -161509.7420 -109453.4292 297.7924 -126.6282 -98.6561 761989.5518 -1.2808 -1.2222 PRESSURE: 3404600 192.977 0.300368 -104.642 0.299987 163.775 316.305 -104.643 316.305 11.7447 GPRESSURE: 3404600 188.279 59.1481 -106.721 66.2868 194.77 304.218 -207.949 273.067 73.9379 PRESSAVG: 3404600 13.5224 -50.6428 -31.0698 -50.6429 -27.4815 36.9719 -31.0698 36.9719 1.52453 GPRESSAVG: 3404600 14.3377 -50.1664 -31.7236 -51.4564 -28.1304 35.0898 -28.7669 38.911 1.04223 TIMING: 3404600 CPU: 10756.3, 0.00318168/step Wall: 10756.3, 0.00318168/step, 1.41002 hours remaining, 235.453125 MB of memory in use. ENERGY: 3404600 3940.3413 20424.3378 14470.9939 258.2238 -203740.2147 2740.7052 0.0000 0.0000 51872.5296 -110033.0831 298.1121 -161905.6127 -109674.7159 297.8147 122.8322 152.3289 760760.0882 -4.1449 -4.2502 PRESSURE: 3404800 51.1461 59.5609 -53.9683 59.5601 147.488 -119.459 -53.968 -119.459 315.297 GPRESSURE: 3404800 95.9762 133.989 82.0491 12.7232 184.982 -190.404 -122.64 35.7268 327.503 PRESSAVG: 3404800 -26.8326 -77.4484 13.7932 -77.4485 -15.1669 -14.4761 13.7933 -14.4762 23.0061 GPRESSAVG: 3404800 -28.3186 -75.494 15.8192 -76.5962 -14.3874 -15.0283 13.0742 -14.3517 23.8756 TIMING: 3404800 CPU: 10757, 0.0031827/step Wall: 10757, 0.0031827/step, 1.41029 hours remaining, 235.781250 MB of memory in use. ENERGY: 3404800 3899.3884 20567.2710 14403.4014 251.1896 -203378.7364 2523.4545 0.0000 0.0000 51888.9590 -109845.0726 298.2066 -161734.0316 -109489.8932 298.3484 171.3103 202.8204 760599.2484 -6.3311 -6.2768 PRESSURE: 3405000 -385.123 13.0503 -55.3054 13.051 191.871 -150.423 -55.3046 -150.422 -184.618 GPRESSURE: 3405000 -422.545 -67.9698 43.9992 106.415 286.171 -30.7379 -85.6576 -150.451 -162.684 PRESSAVG: 3405000 -67.2005 -0.657457 34.1048 -0.657466 62.3398 -1.90556 34.1048 -1.90554 26.9081 GPRESSAVG: 3405000 -65.9351 -1.73344 34.6023 -2.09834 61.6107 -1.31771 33.1808 -1.80683 27.6065 TIMING: 3405000 CPU: 10757.6, 0.00318819/step Wall: 10757.6, 0.00318819/step, 1.41255 hours remaining, 235.851562 MB of memory in use. ENERGY: 3405000 4008.3251 20409.0584 14554.6053 263.9073 -203556.1315 2633.3520 0.0000 0.0000 51828.7065 -109858.1770 297.8603 -161686.8834 -109498.8947 298.0745 -125.9568 -99.6860 760865.6653 7.3491 7.7607 PRESSURE: 3405200 -87.1951 -130.281 -58.113 -130.282 -200.66 176.176 -58.1133 176.176 -181.436 GPRESSURE: 3405200 -73.5289 -24.3978 -111.095 -108.124 -150.978 92.0213 -27.615 100.079 -153.742 PRESSAVG: 3405200 -47.4448 -29.081 17.6806 -29.0809 53.3895 -36.2755 17.6806 -36.2754 1.57869 GPRESSAVG: 3405200 -47.2434 -29.7064 16.0202 -27.9055 54.1189 -36.4944 19.3119 -34.5806 0.822154 TIMING: 3405200 CPU: 10758.2, 0.00316049/step Wall: 10758.2, 0.00316049/step, 1.4001 hours remaining, 235.781250 MB of memory in use. ENERGY: 3405200 3939.7732 20306.7576 14521.1099 220.6444 -202868.4330 2438.1013 0.0000 0.0000 51891.2253 -109550.8213 298.2196 -161442.0466 -109196.5030 297.9139 -156.4304 -126.0830 762682.3807 2.5078 2.5659 PRESSURE: 3405400 249.037 95.634 14.2511 95.6342 127.48 27.5482 14.2507 27.5483 -110.532 GPRESSURE: 3405400 265.838 22.1692 28.7991 77.1328 160.037 38.1073 132.754 222.463 -87.1938 PRESSAVG: 3405400 -22.2531 42.1596 -7.57279 42.1595 7.93072 18.281 -7.57279 18.281 -2.17487 GPRESSAVG: 3405400 -21.7305 42.5979 -8.07741 41.242 7.42138 19.5167 -8.36162 16.8963 -2.06696 TIMING: 3405400 CPU: 10758.9, 0.00318095/step Wall: 10758.9, 0.00318095/step, 1.40898 hours remaining, 235.781250 MB of memory in use. ENERGY: 3405400 3999.3023 20524.4522 14388.7637 230.5286 -203578.9559 2625.7724 0.0000 0.0000 52115.2456 -109694.8911 299.5070 -161810.1367 -109335.4466 298.6563 88.6617 112.8934 762438.3906 -5.4991 -5.4587 PRESSURE: 3405600 -20.2558 -32.9161 -172.906 -32.9164 76.985 -173.074 -172.906 -173.074 302.671 GPRESSURE: 3405600 -10.4288 -146.253 -166.071 -11.2224 23.2815 -227.359 -70.681 -212.309 431.2 PRESSAVG: 3405600 -33.0102 5.19933 41.2653 5.19942 2.27619 -13.687 41.2653 -13.6871 -11.5339 GPRESSAVG: 3405600 -33.8241 4.65769 41.8417 7.17212 2.43508 -14.4894 43.8234 -15.8342 -10.9998 TIMING: 3405600 CPU: 10759.5, 0.00319272/step Wall: 10759.5, 0.00319272/step, 1.41402 hours remaining, 235.781250 MB of memory in use. ENERGY: 3405600 3969.0772 20390.8503 14449.5951 253.3243 -203250.2360 2472.2678 0.0000 0.0000 52017.7207 -109697.4005 298.9466 -161715.1212 -109333.6849 298.5038 119.8000 148.0176 761987.0121 -14.0893 -14.1296 PRESSURE: 3405800 -192.303 270.348 -66.8348 270.348 -179.085 -77.082 -66.8343 -77.0823 -265.259 GPRESSURE: 3405800 -159.946 299.398 -62.5099 196.363 -118.693 -31.0759 -73.4848 -74.9179 -286.497 PRESSAVG: 3405800 15.6265 35.7573 16.9367 35.7573 6.86376 -0.802621 16.9367 -0.802594 2.9897 GPRESSAVG: 3405800 17.1408 35.8647 18.6532 32.9192 5.62748 -0.358328 11.9283 1.26031 3.30667 TIMING: 3405800 CPU: 10760.1, 0.00319483/step Wall: 10760.1, 0.00319483/step, 1.41478 hours remaining, 235.781250 MB of memory in use. ENERGY: 3405800 3962.5612 20520.6156 14394.0398 225.6063 -203861.8058 2933.0666 0.0000 0.0000 52058.3020 -109767.6142 299.1798 -161825.9162 -109405.9913 298.3987 -212.2155 -188.3784 763426.4523 8.4933 8.6916 PRESSURE: 3406000 -228.482 -115.709 -301.28 -115.709 -132.646 238.492 -301.279 238.493 139.992 GPRESSURE: 3406000 -188.928 -143.375 -286.093 -62.5791 -79.3088 325.985 -292.288 92.4938 125.793 PRESSAVG: 3406000 -38.8641 29.1797 55.9045 29.1797 17.5003 38.5031 55.9045 38.5031 -8.05349 GPRESSAVG: 3406000 -41.2257 31.6174 52.7047 30.1084 20.4905 40.3478 58.0204 36.9402 -8.51061 TIMING: 3406000 CPU: 10760.8, 0.00318509/step Wall: 10760.8, 0.00318509/step, 1.41029 hours remaining, 235.769531 MB of memory 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 4017.3290 20620.5738 14501.2994 250.9068 -203478.7307 2733.2925 0.0000 0.0000 51832.5454 -109522.7837 297.8824 -161355.3291 -109166.7387 298.6485 -73.7122 -47.4814 762100.3233 -9.8058 -9.7486 PRESSURE: 3406200 -39.0881 -67.0777 -38.8367 -67.0775 258.701 -266.829 -38.8367 -266.827 59.6682 GPRESSURE: 3406200 51.6428 -39.6425 8.96081 -85.3494 253.757 -223.863 -30.6262 -280.882 35.4187 PRESSAVG: 3406200 -53.1327 67.7455 -21.7458 67.7455 37.1215 -19.6914 -21.7459 -19.6912 -2.26648 GPRESSAVG: 3406200 -52.7826 64.7763 -19.9653 69.3217 36.4709 -21.2507 -20.573 -19.4582 -2.01604 TIMING: 3406200 CPU: 10761.4, 0.00322568/step Wall: 10761.4, 0.00322568/step, 1.42808 hours remaining, 235.769531 MB of memory in use. ENERGY: 3406200 3983.1475 20555.1473 14514.9963 243.2102 -203468.0488 2638.5747 0.0000 0.0000 51855.1612 -109677.8116 298.0123 -161532.9728 -109326.4154 298.8684 93.0936 113.6062 760733.7325 -6.0926 -6.1092 PRESSURE: 3406400 -43.6511 126.133 -48.7491 126.132 -133.101 -48.988 -48.7492 -48.989 333.73 GPRESSURE: 3406400 105.218 33.2763 -8.17367 300.143 -157.154 -43.4628 3.86503 -29.0503 308.632 PRESSAVG: 3406400 25.014 40.7988 -39.1669 40.7988 2.05132 19.3554 -39.1669 19.3554 -24.8111 GPRESSAVG: 3406400 26.3814 44.1361 -38.8746 40.9776 0.556918 17.6627 -39.5039 18.9368 -24.5245 TIMING: 3406400 CPU: 10762.1, 0.00321051/step Wall: 10762.1, 0.00321051/step, 1.42118 hours remaining, 235.972656 MB of memory in use. ENERGY: 3406400 4022.2648 20460.5006 14552.3033 233.3587 -203378.8549 2730.5377 0.0000 0.0000 52035.3586 -109344.5313 299.0479 -161379.8898 -108986.0800 299.3418 52.3261 85.5654 760734.6540 0.7514 0.8046 PRESSURE: 3406600 365.593 78.4863 129.322 78.4862 251.465 12.1108 129.322 12.1106 338.017 GPRESSURE: 3406600 385.434 33.1065 83.2321 65.2685 306.37 -74.1167 133.673 33.0841 362.122 PRESSAVG: 3406600 69.9011 67.6571 5.06479 67.657 -89.8295 -39.6869 5.06477 -39.6869 10.976 GPRESSAVG: 3406600 69.6597 64.886 5.79155 66.4 -89.5345 -39.5268 1.75184 -38.5473 11.2016 TIMING: 3406600 CPU: 10762.7, 0.00321467/step Wall: 10762.7, 0.00321468/step, 1.42285 hours remaining, 235.972656 MB of memory in use. ENERGY: 3406600 4011.9185 20345.9224 14556.3841 238.4098 -204041.1486 2944.6956 0.0000 0.0000 52478.4400 -109465.3781 301.5943 -161943.8181 -109103.2755 299.5039 318.3584 351.3090 758913.2489 -2.9841 -2.8911 PRESSURE: 3406800 90.0689 -52.2478 59.748 -52.2483 -92.9535 -60.6414 59.7486 -60.6422 -201.591 GPRESSURE: 3406800 -12.7517 -165.656 0.81136 -50.8185 63.0279 -92.3065 5.97855 -150.283 -178.666 PRESSAVG: 3406800 9.16187 -29.3994 37.6826 -29.3994 -14.8489 25.804 37.6827 25.804 5.14743 GPRESSAVG: 3406800 8.66837 -31.7329 37.2425 -26.9902 -13.1772 25.7572 40.2476 25.3835 3.76809 TIMING: 3406800 CPU: 10763.3, 0.00320693/step Wall: 10763.3, 0.00320693/step, 1.41924 hours remaining, 235.972656 MB of memory in use. ENERGY: 3406800 4007.1821 20476.5451 14527.4612 248.8858 -203416.5474 2782.8109 0.0000 0.0000 51908.4480 -109465.2143 298.3186 -161373.6622 -109105.4553 299.1561 -68.1584 -42.7966 761883.0168 -0.1799 -0.2469 PRESSURE: 3407000 -46.2969 -71.1068 22.2017 -71.106 110.929 -13.8786 22.202 -13.8782 -10.2756 GPRESSURE: 3407000 1.94974 -135.536 -0.385886 -22.7839 160.766 12.4123 110.016 -15.7993 -31.9283 PRESSAVG: 3407000 15.352 56.5592 20.7689 56.5592 11.9078 -4.90998 20.7689 -4.90992 7.49061 GPRESSAVG: 3407000 14.8672 57.9024 18.2388 55.9464 11.2558 -3.34495 20.048 -3.85316 8.48834 TIMING: 3407000 CPU: 10764, 0.00320686/step Wall: 10764, 0.00320686/step, 1.41904 hours remaining, 235.984375 MB of memory in use. ENERGY: 3407000 3936.9176 20544.9250 14481.9918 262.6059 -203828.7369 2908.4557 0.0000 0.0000 52245.5674 -109448.2735 300.2560 -161693.8408 -109091.2113 299.5824 18.1189 43.5959 761655.9265 11.5835 11.5371 PRESSURE: 3407200 56.8859 -49.6441 -186.876 -49.6443 195.846 34.8414 -186.877 34.8425 -143.6 GPRESSURE: 3407200 135.307 -143.37 -191.598 14.0289 167.408 -1.72007 -252.853 39.3453 -90.7824 PRESSAVG: 3407200 -1.99064 -1.97723 -58.2667 -1.97727 24.7518 31.5795 -58.2667 31.5795 -8.48291 GPRESSAVG: 3407200 -0.945865 -2.93087 -56.6357 -1.30375 24.7036 31.5675 -59.759 29.8653 -8.96636 TIMING: 3407200 CPU: 10764.6, 0.0032077/step Wall: 10764.6, 0.0032077/step, 1.41923 hours remaining, 235.984375 MB of memory in use. ENERGY: 3407200 3906.1596 20609.2946 14420.9084 253.1736 -203526.9182 2712.4462 0.0000 0.0000 52132.1232 -109492.8125 299.6040 -161624.9357 -109131.7945 299.8285 36.3771 70.6441 762293.1469 4.7594 4.9305 PRESSURE: 3407400 49.6482 136.883 253.058 136.883 -117.027 81.3219 253.058 81.3222 -232.108 GPRESSURE: 3407400 13.9823 146.961 242.045 159.98 -86.2636 105.333 279.354 59.9459 -132.018 PRESSAVG: 3407400 37.9496 14.2477 11.2798 14.2477 -26.7936 42.7166 11.2798 42.7167 -4.20903 GPRESSAVG: 3407400 35.9175 17.0944 10.6728 11.9909 -25.3544 43.1918 12.3966 43.3462 -3.49518 TIMING: 3407400 CPU: 10765.3, 0.00320015/step Wall: 10765.3, 0.00320015/step, 1.41571 hours remaining, 235.984375 MB of memory in use. ENERGY: 3407400 3950.1554 20327.0199 14443.2171 242.6934 -203526.4034 2636.5793 0.0000 0.0000 52318.1036 -109608.6347 300.6729 -161926.7383 -109245.1990 299.1924 -99.8290 -68.0997 763048.6711 2.3157 2.3560 PRESSURE: 3407600 -337.197 110.901 -129.09 110.901 -69.7714 253.638 -129.09 253.639 85.986 GPRESSURE: 3407600 -245.852 104.781 -135.852 40.6818 -57.1554 221.473 -126.967 121.256 85.5345 PRESSAVG: 3407600 -9.9796 17.029 55.7694 17.029 -10.4072 9.24561 55.7694 9.24552 -32.4471 GPRESSAVG: 3407600 -7.41584 13.8694 55.1308 19.6859 -12.358 8.33406 57.8731 8.45731 -32.5967 TIMING: 3407600 CPU: 10765.9, 0.00318644/step Wall: 10765.9, 0.00318644/step, 1.40947 hours remaining, 235.984375 MB of memory in use. ENERGY: 3407600 3985.3302 20365.6918 14439.6360 239.1045 -203685.6505 2763.4762 0.0000 0.0000 52156.6008 -109735.8108 299.7447 -161892.4117 -109376.6126 298.9715 -106.9941 -72.4908 762843.9460 -17.6113 -17.4568 PRESSURE: 3407800 -25.0329 -92.5539 125.003 -92.5547 226.079 -114.571 125.003 -114.57 226.073 GPRESSURE: 3407800 84.4983 -61.1019 54.3802 42.9031 218.224 -54.3859 154.642 -13.7748 221.526 PRESSAVG: 3407800 20.7538 12.7812 55.7018 12.7812 -26.5849 5.42785 55.7018 5.42786 -7.52456 GPRESSAVG: 3407800 20.6978 16.3333 57.2198 10.2839 -25.9039 5.15626 53.3013 6.62627 -8.00542 TIMING: 3407800 CPU: 10766.5, 0.00320679/step Wall: 10766.5, 0.00320679/step, 1.41829 hours remaining, 235.984375 MB of memory in use. ENERGY: 3407800 3969.2379 20351.8535 14585.9776 245.9423 -203430.4693 2702.9619 0.0000 0.0000 51894.0354 -109680.4607 298.2357 -161574.4961 -109324.2495 298.8505 142.3731 174.7493 762615.8215 -4.4519 -4.4038 PRESSURE: 3408000 120.348 37.1184 207.05 37.1182 -289.048 25.1012 207.049 25.1015 -33.8046 GPRESSURE: 3408000 137.78 9.43686 253.101 -22.9428 -159.435 32.1094 185.876 72.2814 -100.395 PRESSAVG: 3408000 2.49274 -31.2554 31.7975 -31.2553 -9.28376 13.8208 31.7975 13.8208 -8.87658 GPRESSAVG: 3408000 1.66553 -33.2356 33.6291 -29.0191 -9.79375 13.8669 32.2094 12.7591 -7.62814 TIMING: 3408000 CPU: 10767.2, 0.00320514/step Wall: 10767.2, 0.00320514/step, 1.41738 hours remaining, 235.984375 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: 3408000 4030.1801 20356.6482 14549.8343 248.3299 -203500.5744 2722.2299 0.0000 0.0000 51926.9228 -109666.4292 298.4247 -161593.3520 -109308.2804 298.5041 -67.5015 -40.6835 761975.5809 -5.2225 -5.2521 PRESSURE: 3408200 -169.516 66.0952 -149.893 66.0957 239.439 58.4468 -149.894 58.446 -184.853 GPRESSURE: 3408200 -111.474 71.5925 -126.892 52.5301 181.595 29.7013 -43.5753 16.9303 -113.978 PRESSAVG: 3408200 -26.8921 37.8364 9.56043 37.8365 29.7495 31.593 9.56041 31.593 -3.80084 GPRESSAVG: 3408200 -26.6624 37.4036 8.3871 36.4266 30.0755 31.7988 8.29989 32.3147 -4.53741 TIMING: 3408200 CPU: 10767.8, 0.0032222/step Wall: 10767.8, 0.0032222/step, 1.42475 hours remaining, 235.984375 MB of memory in use. ENERGY: 3408200 3948.1978 20465.3676 14532.2715 243.6020 -203357.2623 2538.4395 0.0000 0.0000 51939.2099 -109690.1740 298.4954 -161629.3839 -109342.0508 298.8571 -38.3100 -14.6191 760319.3439 -0.3145 -0.3748 LDB: ============= START OF LOAD BALANCING ============== 10780.4 LDB: ============== END OF LOAD BALANCING =============== 10780.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10780.4 LDB: ============= START OF LOAD BALANCING ============== 10780.7 LDB: Largest compute 7061 load 0.032178 is 16.4% of average load 0.195676 LDB: Average compute 0.004348 is 2.2% of average load 0.195676 LDB: TIME 10780.7 LOAD: AVG 0.195676 MAX 0.217338 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.602 MB LDB: TIME 10780.7 LOAD: AVG 0.195676 MAX 0.217338 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.809 MB LDB: TIME 10780.7 LOAD: AVG 0.195676 MAX 0.217338 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.809 MB LDB: ============== END OF LOAD BALANCING =============== 10780.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10780.7 PRESSURE: 3408400 174.061 -174.622 297.263 -174.622 202.403 57.7037 297.263 57.7037 -309.655 GPRESSURE: 3408400 118.541 -113.021 158.576 -265.535 256.882 66.2025 329.128 -7.97224 -233.061 PRESSAVG: 3408400 14.0481 -21.2539 29.6048 -21.2539 -13.1809 29.0759 29.6048 29.0759 -28.7397 GPRESSAVG: 3408400 13.8363 -22.3215 27.572 -20.4512 -14.3561 28.8463 30.8292 29.3979 -27.4907 TIMING: 3408400 CPU: 10768.5, 0.00325505/step Wall: 10768.5, 0.00325505/step, 1.43909 hours remaining, 236.792969 MB of memory in use. ENERGY: 3408400 3956.3040 20279.1474 14496.7600 234.9963 -203483.9827 2619.2898 0.0000 0.0000 52372.6649 -109524.8204 300.9864 -161897.4853 -109163.0062 298.9492 22.2698 47.4541 762054.7179 -9.2908 -9.3368 PRESSURE: 3408600 153.01 -53.1395 -105.216 -53.1402 124.432 17.2122 -105.216 17.2105 -38.916 GPRESSURE: 3408600 179.317 105.815 -182.32 29.8264 208.378 74.9508 -55.8828 54.8903 -68.9652 PRESSAVG: 3408600 -2.02456 -23.6228 25.8645 -23.6228 11.5707 17.4949 25.8645 17.4949 -7.57972 GPRESSAVG: 3408600 -2.35743 -22.4586 27.6943 -22.1478 12.7125 17.8597 26.0488 16.5215 -8.2571 TIMING: 3408600 CPU: 10769.1, 0.00320742/step Wall: 10769.1, 0.00320742/step, 1.41786 hours remaining, 236.996094 MB of memory in use. ENERGY: 3408600 4005.0514 20435.1653 14531.2463 234.8763 -203413.6144 2750.4636 0.0000 0.0000 51967.8025 -109489.0090 298.6597 -161456.8115 -109135.8694 299.1585 79.5087 106.2433 760094.6757 0.6555 0.6993 PRESSURE: 3408800 132.373 -9.72942 256.207 -9.72955 -61.7526 -103.578 256.206 -103.579 36.9227 GPRESSURE: 3408800 1.56599 22.2257 288.892 63.8268 58.0502 -134.654 124.272 22.7922 148.507 PRESSAVG: 3408800 -8.49083 6.84387 65.9014 6.84379 41.663 15.7139 65.9015 15.7138 3.49714 GPRESSAVG: 3408800 -8.90556 8.04443 64.8898 5.67083 42.5985 16.0584 65.1965 17.5083 3.4136 TIMING: 3408800 CPU: 10769.8, 0.00321718/step Wall: 10769.8, 0.00321718/step, 1.42199 hours remaining, 236.996094 MB of memory in use. ENERGY: 3408800 4043.5309 20361.1321 14508.2426 254.8806 -203402.2727 2854.2560 0.0000 0.0000 51966.3499 -109413.8807 298.6513 -161380.2305 -109057.9133 299.1781 35.8479 69.3744 760856.2611 12.2231 12.3688 PRESSURE: 3409000 -180.296 12.2508 140.79 12.2506 -49.5744 23.6191 140.789 23.6197 -39.7463 GPRESSURE: 3409000 -77.8481 9.34507 139.758 19.4199 59.5991 -5.05958 103.136 26.5652 -162.844 PRESSAVG: 3409000 -91.6275 -4.1548 0.462646 -4.1548 90.7181 -3.87207 0.462667 -3.87204 2.14252 GPRESSAVG: 3409000 -90.6461 -6.37515 2.2698 -2.2894 89.9482 -3.86584 0.425842 -3.76816 1.80352 TIMING: 3409000 CPU: 10770.4, 0.00320877/step Wall: 10770.4, 0.00320877/step, 1.4181 hours remaining, 236.996094 MB of memory in use. ENERGY: 3409000 3955.7570 20448.9016 14490.3584 235.8718 -202854.2328 2467.9031 0.0000 0.0000 52014.7989 -109240.6419 298.9298 -161255.4408 -108879.0250 299.2596 -89.8721 -60.3642 762336.2720 0.4110 0.3686 PRESSURE: 3409200 45.9323 -80.6302 272.302 -80.629 8.74635 110.72 272.301 110.719 6.32249 GPRESSURE: 3409200 96.7351 -26.7746 290.804 18.4425 18.9295 113.074 191.939 186.553 26.8104 PRESSAVG: 3409200 -65.3487 -2.9711 -0.607109 -2.97111 14.772 48.7503 -0.607141 48.7502 -12.8458 GPRESSAVG: 3409200 -65.3392 -3.20849 -1.36 -3.66394 14.7655 49.0565 -1.26104 48.3393 -12.6452 TIMING: 3409200 CPU: 10771, 0.00318957/step Wall: 10771, 0.00318957/step, 1.40944 hours remaining, 236.996094 MB of memory in use. ENERGY: 3409200 3996.8588 20597.7755 14455.8472 253.9537 -203257.9579 2603.9381 0.0000 0.0000 51910.1712 -109439.4135 298.3285 -161349.5847 -109089.1125 299.6459 20.3337 47.4916 761793.5402 -21.1408 -21.0730 PRESSURE: 3409400 138.235 49.4347 -55.5965 49.435 -78.3798 154.173 -55.5968 154.173 45.8964 GPRESSURE: 3409400 155.474 32.5559 33.7959 -4.10689 -75.0522 230.511 10.2935 50.0645 82.2894 PRESSAVG: 3409400 -3.77218 30.1014 -13.9231 30.1013 30.1191 -20.0723 -13.9231 -20.0723 26.0036 GPRESSAVG: 3409400 -4.51477 31.3078 -14.3001 30.1508 30.8893 -20.0863 -12.8318 -20.9161 26.0549 TIMING: 3409400 CPU: 10771.7, 0.00319112/step Wall: 10771.7, 0.00319112/step, 1.40994 hours remaining, 236.996094 MB of memory in use. ENERGY: 3409400 4007.0323 20524.2151 14522.8793 231.9604 -203676.4599 2653.2576 0.0000 0.0000 52253.2800 -109483.8352 300.3003 -161737.1152 -109126.2185 299.4671 35.2507 54.2372 760075.8128 17.4502 17.4765 PRESSURE: 3409600 246.322 -74.0152 -158.178 -74.0157 231.176 -5.72608 -158.179 -5.72635 83.5241 GPRESSURE: 3409600 346.76 -139.225 -159.798 -11.2979 239.314 178.847 -159.808 19.4231 33.6537 PRESSAVG: 3409600 -9.93532 -8.58085 0.73107 -8.58086 30.6057 53.2157 0.731089 53.2157 5.04473 GPRESSAVG: 3409600 -8.33303 -8.64226 1.06686 -10.3628 28.9414 54.2354 -0.0832671 53.2218 5.20798 TIMING: 3409600 CPU: 10772.3, 0.00319699/step Wall: 10772.3, 0.00319699/step, 1.41236 hours remaining, 236.996094 MB of memory in use. ENERGY: 3409600 4009.8750 20543.3641 14432.5414 256.9560 -203013.4887 2375.3830 0.0000 0.0000 52031.0476 -109364.3216 299.0231 -161395.3692 -109004.5192 299.4279 187.0073 206.5759 761510.7235 8.5717 8.6055 PRESSURE: 3409800 -30.558 169.278 65.5548 169.278 80.9485 11.6148 65.5533 11.6145 114.762 GPRESSURE: 3409800 -96.1826 221.011 112.706 273.912 176.871 -96.2813 -84.989 57.8752 168.576 PRESSAVG: 3409800 0.517487 18.4655 -26.8384 18.4654 0.0230489 23.5465 -26.8384 23.5464 -6.32701 GPRESSAVG: 3409800 -0.58457 18.0567 -27.0317 20.2932 0.639163 20.0741 -25.4895 24.7973 -6.00877 TIMING: 3409800 CPU: 10773, 0.00318182/step Wall: 10773, 0.00318182/step, 1.40548 hours remaining, 236.996094 MB of memory in use. ENERGY: 3409800 3956.2119 20438.0363 14466.7620 242.6115 -203219.6792 2430.9662 0.0000 0.0000 52352.7518 -109332.3395 300.8720 -161685.0913 -108967.2713 299.1291 55.0509 83.0880 761001.6558 -1.9288 -1.9847 PRESSURE: 3410000 -1.62337 -22.9404 -232.05 -22.9403 -480.182 74.7388 -232.05 74.7398 77.6938 GPRESSURE: 3410000 107.465 -35.3554 -231.871 -34.6402 -449.451 33.3155 -219.931 109.036 37.5492 PRESSAVG: 3410000 8.39751 24.387 -29.0729 24.387 -9.71758 -0.743783 -29.0729 -0.743691 -11.3742 GPRESSAVG: 3410000 8.38767 26.7713 -28.8314 23.4837 -10.4093 0.155317 -28.5198 -2.95966 -10.4995 TIMING: 3410000 CPU: 10773.6, 0.00319751/step Wall: 10773.6, 0.00319751/step, 1.41223 hours remaining, 236.996094 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: 3410000 3983.4494 20576.7852 14408.0230 264.5289 -203156.5739 2440.5121 0.0000 0.0000 52055.6547 -109427.6205 299.1646 -161483.2753 -109074.5321 299.7637 -134.7039 -101.4787 760367.5688 -4.2314 -4.1737 PRESSURE: 3410200 -47.2846 -128.253 45.1378 -128.253 -298.817 112.423 45.1384 112.423 -160.595 GPRESSURE: 3410200 -8.73591 -81.5499 71.1152 -50.2044 -302.675 111.387 132.163 109.447 -116.444 PRESSAVG: 3410200 29.2388 11.7945 -18.917 11.7944 -7.1372 -12.047 -18.917 -12.0469 10.6424 GPRESSAVG: 3410200 29.4766 9.9432 -19.2682 13.203 -6.34044 -11.3809 -18.9775 -12.0542 9.42939 TIMING: 3410200 CPU: 10774.2, 0.00320785/step Wall: 10774.2, 0.00320785/step, 1.41662 hours remaining, 236.996094 MB of memory in use. ENERGY: 3410200 4058.3481 20411.5204 14389.3855 223.4072 -203348.3912 2424.7217 0.0000 0.0000 52383.5229 -109457.4853 301.0488 -161841.0082 -109095.0244 299.7886 -168.8986 -142.6185 759599.4562 10.9147 10.8552 PRESSURE: 3410400 -56.915 70.5912 65.5244 70.5929 -204.391 123.032 65.5241 123.032 -93.8208 GPRESSURE: 3410400 -25.6684 -16.8762 30.0713 -17.02 -191.983 85.5895 90.0532 110.392 -52.8405 PRESSAVG: 3410400 14.4502 -22.3796 10.1225 -22.3795 4.57009 -28.321 10.1225 -28.321 -7.84751 GPRESSAVG: 3410400 13.8509 -22.436 10.2868 -24.8183 4.84463 -29.8854 9.7086 -25.8782 -8.09056 TIMING: 3410400 CPU: 10774.9, 0.00319983/step Wall: 10774.9, 0.00319983/step, 1.4129 hours remaining, 236.996094 MB of memory in use. ENERGY: 3410400 4053.1517 20535.9057 14398.3919 244.0638 -203267.1583 2331.2894 0.0000 0.0000 52256.0042 -109448.3515 300.3160 -161704.3557 -109083.8759 299.6734 -118.3756 -90.1639 758990.9035 3.7242 3.5350 PRESSURE: 3410600 -137.913 123.52 -225.113 123.52 -23.812 -14.9992 -225.112 -14.998 -505.237 GPRESSURE: 3410600 -39.7725 34.4747 -193.129 -27.7661 -91.8441 -48.0788 -157.903 92.3017 -490.012 PRESSAVG: 3410600 -62.1108 -29.2708 -14.7926 -29.2708 33.7582 9.44374 -14.7925 9.44376 10.1813 GPRESSAVG: 3410600 -60.3699 -32.5919 -14.1733 -25.3384 32.7873 9.73198 -18.4094 8.08192 9.73903 TIMING: 3410600 CPU: 10775.5, 0.00319472/step Wall: 10775.5, 0.00319472/step, 1.41047 hours remaining, 236.996094 MB of memory in use. ENERGY: 3410600 4021.1562 20637.7218 14413.0154 230.1383 -203212.9510 2220.7836 0.0000 0.0000 52114.8868 -109575.2490 299.5050 -161690.1358 -109205.3335 299.2078 -222.3208 -207.2095 759335.9831 -6.0571 -5.9478 PRESSURE: 3410800 217.971 -31.747 -104.344 -31.7473 192.198 -18.4221 -104.343 -18.4229 -126.059 GPRESSURE: 3410800 278.355 -26.9299 -129.256 -86.3608 188.895 -65.1188 -144.119 -5.44841 -104.723 PRESSAVG: 3410800 21.101 -2.25364 3.42991 -2.25361 7.06213 -1.15009 3.42991 -1.15007 -3.89698 GPRESSAVG: 3410800 19.473 0.435362 3.98047 -3.79499 8.62026 -0.901888 6.91777 -1.80826 -3.13327 TIMING: 3410800 CPU: 10776.2, 0.00319684/step Wall: 10776.2, 0.00319684/step, 1.41123 hours remaining, 236.996094 MB of memory in use. ENERGY: 3410800 4045.3602 20684.4831 14442.7237 240.9128 -203182.4346 2513.6092 0.0000 0.0000 51931.4827 -109323.8630 298.4509 -161255.3457 -108968.2636 299.2834 94.7035 120.8422 760043.0957 8.0887 8.3200 PRESSURE: 3411000 -63.9647 191.441 113.947 191.441 62.5548 -125.191 113.947 -125.191 244.108 GPRESSURE: 3411000 -74.6639 216.197 135.167 241.517 172.124 -126.891 129.003 -216.043 218.342 PRESSAVG: 3411000 -60.0407 -13.6297 -20.7493 -13.6297 38.0009 -53.7401 -20.7493 -53.74 -5.20536 GPRESSAVG: 3411000 -59.3841 -12.3735 -20.1797 -14.9213 37.6139 -53.0943 -24.283 -54.2064 -5.76619 TIMING: 3411000 CPU: 10776.8, 0.00317384/step Wall: 10776.8, 0.00317384/step, 1.4009 hours remaining, 236.996094 MB of memory in use. ENERGY: 3411000 3960.2279 20586.4909 14475.2372 225.0485 -202987.9525 2381.7876 0.0000 0.0000 52045.6972 -109313.4632 299.1073 -161359.1604 -108948.2550 299.2433 80.8993 105.2673 760966.3547 -9.0817 -9.1788 PRESSURE: 3411200 230.974 93.0815 -63.2378 93.0818 -5.62214 -206.64 -63.2382 -206.64 -34.8525 GPRESSURE: 3411200 253.346 153.441 -104.778 95.9033 72.2438 -253.579 43.9763 -273.214 -28.4052 PRESSAVG: 3411200 -30.1703 53.9982 26.2504 53.9984 27.2067 -38.5387 26.2504 -38.5387 6.13606 GPRESSAVG: 3411200 -28.8337 55.3388 25.6529 54.3049 25.8197 -39.3871 29.753 -38.1912 6.50625 TIMING: 3411200 CPU: 10777.4, 0.00319182/step Wall: 10777.4, 0.00319182/step, 1.40866 hours remaining, 236.996094 MB of memory in use. ENERGY: 3411200 3954.6173 20483.3734 14469.1601 257.4902 -203180.5128 2490.8008 0.0000 0.0000 51833.2946 -109691.7764 297.8867 -161525.0710 -109337.4609 299.2090 63.4999 99.0615 761867.6013 1.0575 1.1641 PRESSURE: 3411400 -14.3131 7.02322 168.283 7.02406 -129.664 -65.3343 168.283 -65.3346 174.148 GPRESSURE: 3411400 -42.6549 -86.987 168.635 7.50259 21.7481 -95.6262 115.26 -4.13447 141.348 PRESSAVG: 3411400 -20.9312 35.1877 -35.3286 35.1877 0.87514 25.4049 -35.3286 25.4049 5.84189 GPRESSAVG: 3411400 -23.6329 33.5994 -35.4071 34.2809 4.23956 27.7899 -35.7396 25.7811 5.31142 TIMING: 3411400 CPU: 10778.1, 0.00320245/step Wall: 10778.1, 0.00320245/step, 1.41317 hours remaining, 236.996094 MB of memory in use. ENERGY: 3411400 3960.3199 20563.7180 14400.7969 266.0493 -203294.5193 2679.5184 0.0000 0.0000 51929.9516 -109494.1652 298.4421 -161424.1168 -109135.4974 298.1324 10.0569 40.1469 761438.5270 -4.7381 -4.6940 PRESSURE: 3411600 -226.443 -163.523 -276.46 -163.522 26.7464 186.717 -276.46 186.718 -536.433 GPRESSURE: 3411600 -221.265 -114.211 -308.263 -60.2985 48.3869 218.608 -114.133 160.909 -469.577 PRESSAVG: 3411600 -16.5253 55.0754 -15.7479 55.0754 23.9493 48.1778 -15.7479 48.1779 -16.5728 GPRESSAVG: 3411600 -15.0356 54.0455 -17.3018 57.5893 23.0603 45.7018 -15.7992 50.0584 -16.8857 TIMING: 3411600 CPU: 10778.7, 0.0032094/step Wall: 10778.7, 0.0032094/step, 1.41606 hours remaining, 236.996094 MB of memory in use. ENERGY: 3411600 3982.3198 20515.7088 14430.4015 253.9955 -203174.6006 2392.6242 0.0000 0.0000 52066.7364 -109532.8143 299.2282 -161599.5507 -109170.4306 298.6870 -245.3765 -214.1516 762620.9971 -3.0496 -2.9537 PRESSURE: 3411800 10.4059 187.336 -218.91 187.337 97.6166 114.635 -218.91 114.635 -248.718 GPRESSURE: 3411800 -75.3458 230.796 -136.532 77.5944 189.873 145.278 -222.241 201.881 -182.493 PRESSAVG: 3411800 -51.5329 92.9216 12.2553 92.9216 38.6402 14.0085 12.2553 14.0087 1.21913 GPRESSAVG: 3411800 -51.6389 93.9793 14.0192 92.7134 37.0964 17.5095 11.363 12.2372 2.27177 TIMING: 3411800 CPU: 10779.4, 0.00322283/step Wall: 10779.4, 0.00322283/step, 1.42181 hours remaining, 236.996094 MB of memory in use. ENERGY: 3411800 3915.7464 20390.9221 14528.2856 243.8876 -202977.6853 2150.9813 0.0000 0.0000 52207.1474 -109540.7149 300.0352 -161747.8623 -109173.9769 298.8264 -46.8984 -22.6551 762676.8843 -3.8912 -4.0902 PRESSURE: 3412000 -97.9398 67.8492 80.5506 67.8485 94.8739 -5.91821 80.5501 -5.91768 -278.19 GPRESSURE: 3412000 -16.8343 57.8306 109.958 96.8206 21.273 48.7536 -13.852 -87.6252 -196.713 PRESSAVG: 3412000 -39.1762 49.2646 20.0448 49.2645 53.5634 37.1708 20.0447 37.1708 -9.74135 GPRESSAVG: 3412000 -38.654 47.9422 20.2654 47.3869 53.6818 36.1711 19.7756 37.0204 -10.518 TIMING: 3412000 CPU: 10780, 0.00320498/step Wall: 10780, 0.00320498/step, 1.41375 hours remaining, 236.996094 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: 3412000 3958.5340 20324.8242 14451.6102 244.1173 -203014.2499 2501.1636 0.0000 0.0000 51994.1353 -109539.8654 298.8110 -161534.0007 -109179.5241 298.7017 -93.7520 -64.0916 761580.3727 1.5486 1.5033 PRESSURE: 3412200 79.9821 -265.62 197.831 -265.62 82.3933 23.8086 197.831 23.808 15.0958 GPRESSURE: 3412200 164.413 -144.161 33.0857 -348.611 54.6614 45.8392 150.247 -1.61025 34.5914 PRESSAVG: 3412200 -30.0219 -33.5623 61.9493 -33.5622 14.1972 16.391 61.9492 16.391 19.366 GPRESSAVG: 3412200 -30.3671 -34.0003 60.3687 -31.1322 14.3444 15.5334 59.4783 17.3579 19.8383 TIMING: 3412200 CPU: 10780.6, 0.00321479/step Wall: 10780.6, 0.00321479/step, 1.4179 hours remaining, 236.996094 MB of memory in use. ENERGY: 3412200 4011.9761 20340.1417 14499.5232 232.3034 -203382.4336 2522.7285 0.0000 0.0000 52091.3685 -109684.3921 299.3698 -161775.7606 -109326.5110 298.8231 59.1571 84.5553 759903.9545 1.1804 1.2719 LDB: ============= START OF LOAD BALANCING ============== 10793.2 LDB: ============== END OF LOAD BALANCING =============== 10793.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10793.2 LDB: ============= START OF LOAD BALANCING ============== 10793.5 LDB: Largest compute 7034 load 0.032181 is 16.5% of average load 0.195525 LDB: Average compute 0.004360 is 2.2% of average load 0.195525 LDB: TIME 10793.5 LOAD: AVG 0.195525 MAX 0.214136 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.57 MB LDB: TIME 10793.5 LOAD: AVG 0.195525 MAX 0.214136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: TIME 10793.5 LOAD: AVG 0.195525 MAX 0.214136 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: ============== END OF LOAD BALANCING =============== 10793.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10793.5 PRESSURE: 3412400 -232.747 64.5123 -101.065 64.5118 -205.068 122.669 -101.065 122.669 -102.971 GPRESSURE: 3412400 -180.918 126.05 -80.5243 41.0355 -172.002 164.361 53.9345 -7.8912 -90.6273 PRESSAVG: 3412400 -41.7905 -29.4527 -29.0303 -29.4527 -12.1325 30.1987 -29.0302 30.1986 -17.9461 GPRESSAVG: 3412400 -42.3378 -28.167 -27.7169 -32.3643 -10.5321 31.1327 -24.6974 28.5936 -18.9647 TIMING: 3412400 CPU: 10781.3, 0.00324047/step Wall: 10781.3, 0.00324047/step, 1.42905 hours remaining, 234.558594 MB of memory in use. ENERGY: 3412400 4017.7346 20418.5606 14456.5880 250.1772 -203276.2980 2425.9232 0.0000 0.0000 51910.5776 -109796.7368 298.3308 -161707.3145 -109425.8230 298.6698 -180.2620 -147.8491 763556.4102 -23.9563 -23.9449 PRESSURE: 3412600 -71.184 65.2357 203.574 65.2345 -51.175 -126.613 203.574 -126.615 -97.051 GPRESSURE: 3412600 -62.6253 125.55 160.848 53.9604 -32.4321 -163.359 127.103 -104.5 -53.026 PRESSAVG: 3412600 -81.3155 14.3101 -39.9347 14.3101 63.7508 55.2788 -39.9347 55.2787 16.2953 GPRESSAVG: 3412600 -80.5093 13.0455 -39.8552 15.6438 62.5692 55.443 -42.4106 54.3223 16.3748 TIMING: 3412600 CPU: 10781.9, 0.00317142/step Wall: 10781.9, 0.00317142/step, 1.39842 hours remaining, 234.558594 MB of memory in use. ENERGY: 3412600 3968.3091 20509.7406 14483.2607 261.9367 -203842.0523 2894.9616 0.0000 0.0000 52067.2888 -109656.5547 299.2314 -161723.8435 -109299.9763 299.0834 -73.1367 -49.3611 761320.9689 -0.4231 -0.5218 PRESSURE: 3412800 30.6101 -76.3416 -160.281 -76.3416 101.059 -102.093 -160.281 -102.094 -293.723 GPRESSURE: 3412800 -18.8608 -137.481 -79.0004 -112.919 186.408 -71.4042 -204.386 -23.2531 -235.808 PRESSAVG: 3412800 6.00674 4.97783 32.8143 4.97783 17.1974 9.61136 32.8143 9.61137 6.18007 GPRESSAVG: 3412800 5.9543 6.04438 31.045 4.71385 16.6573 9.78582 34.487 13.0638 7.632 TIMING: 3412800 CPU: 10782.6, 0.00318729/step Wall: 10782.6, 0.00318729/step, 1.40524 hours remaining, 234.558594 MB of memory in use. ENERGY: 3412800 3989.3275 20370.2521 14453.8900 224.0342 -203274.1780 2439.9894 0.0000 0.0000 52228.3864 -109568.2984 300.1573 -161796.6848 -109206.9716 299.1469 -54.0180 -22.7537 762027.1813 9.7948 10.0812 PRESSURE: 3413000 -139.551 -111.822 -203.498 -111.824 -471.035 263.738 -203.498 263.738 -92.3315 GPRESSURE: 3413000 -102.644 -97.7121 -165.959 -132.827 -401.929 236.708 -258.925 195.079 -116.76 PRESSAVG: 3413000 -88.1137 -35.3919 -0.869296 -35.392 71.316 30.0787 -0.869238 30.0786 14.8646 GPRESSAVG: 3413000 -86.8402 -34.9845 0.566728 -32.8641 70.6807 29.4308 -0.957947 28.4064 14.452 TIMING: 3413000 CPU: 10783.2, 0.00318234/step Wall: 10783.2, 0.00318234/step, 1.40288 hours remaining, 234.558594 MB of memory in use. ENERGY: 3413000 3990.8180 20326.9911 14557.6310 250.9060 -203444.3632 2482.0644 0.0000 0.0000 52267.3674 -109568.5853 300.3813 -161835.9527 -109206.6457 298.9818 -234.3059 -207.1109 762286.0529 -0.6444 -0.5691 PRESSURE: 3413200 196.928 -120.678 85.602 -120.678 167.558 42.9666 85.6017 42.9662 348.234 GPRESSURE: 3413200 239.56 -92.5288 89.5911 -15.6049 186.597 81.664 44.8014 122.499 380.928 PRESSAVG: 3413200 -50.8635 -1.72506 -38.3388 -1.72509 68.026 20.4577 -38.3388 20.4577 -6.01835 GPRESSAVG: 3413200 -51.216 -1.00053 -40.5003 -3.43741 69.0257 20.0325 -36.015 20.3445 -6.33873 TIMING: 3413200 CPU: 10783.8, 0.00318793/step Wall: 10783.8, 0.00318793/step, 1.40517 hours remaining, 234.558594 MB of memory in use. ENERGY: 3413200 4048.5361 20479.5411 14552.2402 250.9162 -203668.0536 2816.0993 0.0000 0.0000 52021.9247 -109498.7959 298.9707 -161520.7206 -109130.4736 298.8626 237.5734 269.0279 760587.6121 3.7147 3.8237 PRESSURE: 3413400 -255.955 -201.921 19.3843 -201.921 239.651 -71.1531 19.3845 -71.154 -383.935 GPRESSURE: 3413400 -167.226 -102.022 91.4897 -98.432 196.096 -61.6983 -18.2308 -46.8456 -376.245 PRESSAVG: 3413400 -65.1677 49.2451 37.9632 49.2451 17.4142 -28.0138 37.9632 -28.0138 7.24515 GPRESSAVG: 3413400 -64.8957 48.3014 38.7659 49.3946 16.5387 -28.0484 35.9981 -25.3861 7.40358 TIMING: 3413400 CPU: 10784.5, 0.00319457/step Wall: 10784.5, 0.00319457/step, 1.40792 hours remaining, 234.558594 MB of memory in use. ENERGY: 3413400 3939.3061 20654.9117 14476.0566 235.3546 -203536.9291 2787.6216 0.0000 0.0000 51838.4222 -109605.2563 297.9161 -161443.6785 -109245.7468 299.0496 -133.4131 -115.7918 761701.0489 -13.5028 -13.6511 PRESSURE: 3413600 -15.0978 -84.0151 248.517 -84.0153 143.573 -218.098 248.517 -218.099 -434.842 GPRESSURE: 3413600 73.498 -68.1336 164.11 -39.5196 75.3469 -251.807 189.188 -99.267 -379.113 PRESSAVG: 3413600 -34.8615 2.03547 -2.23048 2.03544 30.3122 -9.68244 -2.23055 -9.68245 17.4144 GPRESSAVG: 3413600 -36.0341 1.0941 -2.15894 2.38309 31.0792 -8.80227 -4.12289 -13.7142 17.7849 TIMING: 3413600 CPU: 10785.1, 0.00320646/step Wall: 10785.1, 0.00320646/step, 1.41298 hours remaining, 234.558594 MB of memory in use. ENERGY: 3413600 3997.9131 20714.9524 14443.3079 210.9294 -203320.3350 2314.0664 0.0000 0.0000 52048.7769 -109590.3889 299.1250 -161639.1658 -109230.0295 299.0000 -102.1223 -76.7562 760377.7995 4.2884 4.2767 PRESSURE: 3413800 332.184 -8.08595 -280.399 -8.0854 -31.0018 -13.9457 -280.399 -13.945 -124.237 GPRESSURE: 3413800 412.971 -95.4567 -260.459 -17.8091 -38.644 6.01817 -364.007 -49.4181 -126.38 PRESSAVG: 3413800 8.83755 -2.60941 21.5109 -2.60947 -28.5458 -3.87754 21.5109 -3.87761 0.717161 GPRESSAVG: 3413800 10.4275 -2.33502 22.0891 -3.37036 -29.2285 -5.51615 21.7583 -1.08647 -0.178433 TIMING: 3413800 CPU: 10785.8, 0.00319691/step Wall: 10785.8, 0.00319691/step, 1.4086 hours remaining, 234.558594 MB of memory in use. ENERGY: 3413800 3883.2480 20516.7056 14457.8630 238.0923 -203209.2016 2529.0414 0.0000 0.0000 51952.4734 -109631.7778 298.5716 -161584.2512 -109272.1630 298.5952 58.9817 82.6489 761780.4597 -6.3304 -6.3265 PRESSURE: 3414000 -55.414 60.6454 3.55673 60.6457 147.352 -134.429 3.55616 -134.429 254.572 GPRESSURE: 3414000 70.0868 127.435 55.3418 69.7685 165.175 -19.1828 -62.4045 -40.3073 205.198 PRESSAVG: 3414000 -11.1876 -49.5022 -2.93371 -49.5021 33.3607 33.1032 -2.9337 33.1031 -22.0624 GPRESSAVG: 3414000 -12.0918 -48.4444 -2.49095 -48.8193 34.275 34.5902 -2.08475 30.7925 -22.2075 TIMING: 3414000 CPU: 10786.4, 0.00320418/step Wall: 10786.4, 0.00320418/step, 1.41162 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: 3414000 3971.6774 20460.6804 14509.8471 239.7792 -203127.9657 2484.9652 0.0000 0.0000 51827.1845 -109633.8317 297.8515 -161461.0162 -109275.8735 298.9108 115.5035 146.8201 762718.4437 0.0369 -0.0081 PRESSURE: 3414200 277.146 -111.828 161.425 -111.828 -86.9409 -250.371 161.425 -250.372 132.994 GPRESSURE: 3414200 256.709 -32.1531 214.781 -185.299 -28.1421 -192.985 79.4975 -186.021 171.696 PRESSAVG: 3414200 27.7663 19.0562 -40.0885 19.0563 18.5779 1.03876 -40.0884 1.03881 -6.64013 GPRESSAVG: 3414200 27.9414 18.8151 -40.2967 18.1417 18.5198 1.86633 -39.1002 2.94727 -6.50727 TIMING: 3414200 CPU: 10787, 0.00320046/step Wall: 10787, 0.00320046/step, 1.4098 hours remaining, 234.558594 MB of memory in use. ENERGY: 3414200 3958.3538 20337.1868 14523.2120 276.9092 -203517.6480 2864.4682 0.0000 0.0000 51795.4354 -109762.0826 297.6691 -161557.5180 -109400.3572 298.6769 107.7332 133.4210 764090.5771 13.2347 13.3180 PRESSURE: 3414400 80.1851 55.7415 136.446 55.7407 -16.5966 138.103 136.445 138.104 167.549 GPRESSURE: 3414400 17.128 48.8982 265.168 118.974 77.0709 25.648 50.0491 140.811 193.188 PRESSAVG: 3414400 -50.8634 59.6274 11.802 59.6274 -11.4275 11.7544 11.802 11.7543 1.5382 GPRESSAVG: 3414400 -51.8648 59.9172 10.7165 60.7712 -11.0113 10.9552 12.4456 11.2674 1.6643 TIMING: 3414400 CPU: 10787.7, 0.00322177/step Wall: 10787.7, 0.00322177/step, 1.41901 hours remaining, 234.558594 MB of memory in use. ENERGY: 3414400 3975.8795 20518.2850 14455.2936 245.4905 -202928.5464 2347.8418 0.0000 0.0000 51765.6384 -109620.1177 297.4978 -161385.7561 -109261.2585 298.6468 77.0458 95.7956 761970.7518 -20.2509 -20.4039 PRESSURE: 3414600 32.2264 89.4145 -28.0745 89.4149 -7.26356 -41.4676 -28.0758 -41.4679 198.284 GPRESSURE: 3414600 38.5313 97.5471 -82.6256 10.9033 67.1303 39.1462 36.9523 71.5813 196.6 PRESSAVG: 3414600 -10.9575 5.2882 -0.449871 5.28822 -29.5807 27.6232 -0.449938 27.6232 7.45514 GPRESSAVG: 3414600 -11.3278 2.45801 -0.473561 5.9694 -29.7946 29.7482 -1.32372 24.9775 7.90248 TIMING: 3414600 CPU: 10788.3, 0.00318685/step Wall: 10788.3, 0.00318685/step, 1.40345 hours remaining, 234.558594 MB of memory in use. ENERGY: 3414600 3880.3811 20386.1686 14440.3008 227.1998 -203038.3906 2365.6555 0.0000 0.0000 51948.7728 -109789.9120 298.5503 -161738.6847 -109431.9641 298.6641 74.4157 100.7540 761885.3526 -11.0277 -11.0733 PRESSURE: 3414800 -251.124 159.251 147.717 159.251 -151.779 30.0623 147.717 30.0615 -32.3141 GPRESSURE: 3414800 -224 195.968 139.663 142.83 -100.932 -18.5658 76.1785 0.810562 -26.2014 PRESSAVG: 3414800 17.3593 22.2379 13.6068 22.2379 -22.6281 39.8063 13.6068 39.8064 1.43366 GPRESSAVG: 3414800 17.4909 23.9712 14.2308 20.4086 -21.7914 36.8454 15.5167 41.7121 0.330615 TIMING: 3414800 CPU: 10789, 0.00319431/step Wall: 10789, 0.00319431/step, 1.40656 hours remaining, 234.558594 MB of memory in use. ENERGY: 3414800 3980.7985 20446.9621 14451.0930 240.1964 -203141.5677 2595.8835 0.0000 0.0000 51769.9711 -109656.6630 297.5227 -161426.6341 -109294.0407 298.0928 -145.0724 -117.0444 762807.8345 -1.2784 -1.3233 PRESSURE: 3415000 -293.141 169.59 -206.66 169.59 22.1681 -293.898 -206.659 -293.899 248.615 GPRESSURE: 3415000 -244.252 69.5285 -188.474 201.298 102.955 -382.866 -125.832 -185.139 203.169 PRESSAVG: 3415000 -65.1546 -26.352 -5.28959 -26.352 70.797 -20.253 -5.28955 -20.253 11.8649 GPRESSAVG: 3415000 -64.8533 -27.7014 -5.929 -27.1918 70.1736 -20.3639 -5.36118 -19.3978 12.1578 TIMING: 3415000 CPU: 10789.6, 0.00319995/step Wall: 10789.6, 0.00319995/step, 1.40887 hours remaining, 234.558594 MB of memory in use. ENERGY: 3415000 3991.9238 20260.9105 14404.8869 246.7833 -203428.3239 2653.6203 0.0000 0.0000 52248.5088 -109621.6903 300.2729 -161870.1991 -109257.2293 298.6802 -7.4524 20.6243 761683.3028 5.8357 5.8260 PRESSURE: 3415200 -9.99146 -97.7897 136.221 -97.7902 -205.924 356.861 136.221 356.861 -196.487 GPRESSURE: 3415200 -56.2736 46.8491 113.553 -94.3388 -148.213 394.232 158.743 157.67 -116.812 PRESSAVG: 3415200 -89.8524 -39.4554 -79.2071 -39.4555 78.2382 29.2735 -79.2071 29.2736 -15.6757 GPRESSAVG: 3415200 -90.7255 -38.9947 -77.1593 -38.5405 79.5308 30.8697 -82.8944 27.8876 -16.0149 TIMING: 3415200 CPU: 10790.2, 0.003199/step Wall: 10790.2, 0.003199/step, 1.40827 hours remaining, 234.558594 MB of memory in use. ENERGY: 3415200 3962.8727 20555.1931 14552.8018 242.4909 -203550.3321 2555.9537 0.0000 0.0000 52213.5606 -109467.4593 300.0721 -161681.0199 -109106.6433 298.8966 -137.4675 -107.0996 762381.9834 -9.0966 -9.0699 PRESSURE: 3415400 -169.933 64.0614 35.5138 64.0611 -426.775 -68.6974 35.514 -68.6977 -23.8933 GPRESSURE: 3415400 -139.717 75.5742 19.3183 133.088 -362.51 -90.3933 81.5815 -54.5199 -9.04539 PRESSAVG: 3415400 24.6104 4.02939 -51.3636 4.0294 -21.9443 10.4004 -51.3636 10.4004 23.1421 GPRESSAVG: 3415400 25.9825 5.23109 -52.7035 3.7207 -23.7563 9.68506 -49.5092 9.1583 23.9508 TIMING: 3415400 CPU: 10790.9, 0.00320564/step Wall: 10790.9, 0.00320564/step, 1.41101 hours remaining, 234.558594 MB of memory in use. ENERGY: 3415400 3930.8587 20475.0489 14469.7425 245.1971 -203016.3402 2320.5034 0.0000 0.0000 52070.6663 -109504.3233 299.2508 -161574.9896 -109139.6568 299.4971 -206.8671 -170.4241 762717.7394 8.6027 8.7256 PRESSURE: 3415600 37.9948 106.59 -70.772 106.591 207.881 -171.766 -70.7724 -171.766 -466.857 GPRESSURE: 3415600 45.1733 -25.7666 13.3806 137.478 117.103 -136.364 -65.4625 -79.7724 -304.695 PRESSAVG: 3415600 11.6812 -22.492 -8.50969 -22.4921 -22.3668 -56.4075 -8.5097 -56.4075 2.66921 GPRESSAVG: 3415600 10.4887 -24.0779 -8.02016 -20.7884 -21.5919 -58.2667 -9.04221 -52.9544 3.09603 TIMING: 3415600 CPU: 10791.5, 0.00317305/step Wall: 10791.5, 0.00317305/step, 1.39649 hours remaining, 234.558594 MB of memory in use. ENERGY: 3415600 3895.7393 20651.8634 14470.4753 248.7297 -203167.4832 2384.1735 0.0000 0.0000 51695.2857 -109821.2162 297.0935 -161516.5019 -109464.1781 298.8126 -73.6603 -47.4730 762777.8623 -2.6721 -2.6691 PRESSURE: 3415800 -52.0299 -55.3236 -154.94 -55.3244 265.073 29.9844 -154.94 29.9845 -194.83 GPRESSURE: 3415800 22.6894 -56.3897 -175.385 -116.632 249.436 -15.9575 -249.635 26.3403 -170.881 PRESSAVG: 3415800 -20.2051 -62.5692 -52.3904 -62.5692 -1.83043 -18.0933 -52.3905 -18.0933 8.19748 GPRESSAVG: 3415800 -19.0131 -59.3553 -53.0167 -64.059 -1.97916 -16.4037 -49.383 -19.9661 7.14918 TIMING: 3415800 CPU: 10792.2, 0.00318729/step Wall: 10792.2, 0.00318729/step, 1.40258 hours remaining, 234.558594 MB of memory in use. ENERGY: 3415800 3933.9959 20461.6512 14441.0936 258.1989 -203712.8822 2947.8307 0.0000 0.0000 51889.9809 -109780.1310 298.2124 -161670.1119 -109420.9528 298.5826 6.0711 33.7484 761753.1380 -4.6127 -4.6143 PRESSURE: 3416000 13.5301 65.0598 -58.5097 65.06 -64.7938 -29.7216 -58.509 -29.7212 -4.45994 GPRESSURE: 3416000 96.6907 29.3883 -42.203 125.324 -61.9164 -19.4652 -40.6357 -90.6866 6.50718 PRESSAVG: 3416000 -4.81007 -52.9742 7.68494 -52.9742 16.4137 -42.8402 7.68497 -42.8401 17.453 GPRESSAVG: 3416000 -5.41969 -53.9734 6.82295 -51.9576 15.5642 -41.7194 7.06784 -44.3273 18.5354 TIMING: 3416000 CPU: 10792.8, 0.00319064/step Wall: 10792.8, 0.00319064/step, 1.40388 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: 3416000 4024.0356 20320.6321 14440.9199 247.7265 -202916.7564 2290.5740 0.0000 0.0000 52083.6880 -109509.1803 299.3257 -161592.8684 -109146.1724 298.9594 -18.5746 13.7605 762318.9906 9.6855 9.5600 PRESSURE: 3416200 -190.675 -152.925 -200.163 -152.924 51.0523 -123.682 -200.163 -123.68 187.733 GPRESSURE: 3416200 -174.79 -118.971 -116.786 -240.882 82.3885 -88.6235 -130.106 86.5044 237.883 PRESSAVG: 3416200 -19.2373 38.0201 34.3808 38.0201 54.5304 -6.21254 34.3808 -6.21256 10.5557 GPRESSAVG: 3416200 -19.5208 38.1162 36.6549 36.7127 55.1205 -8.02404 33.2157 -3.75847 10.1662 TIMING: 3416200 CPU: 10793.4, 0.00317735/step Wall: 10793.4, 0.00317735/step, 1.39786 hours remaining, 234.558594 MB of memory in use. ENERGY: 3416200 3992.8605 20420.4442 14448.0067 251.3135 -203350.5073 2601.2528 0.0000 0.0000 52335.1840 -109301.4456 300.7710 -161636.6296 -108931.5088 299.7689 16.0365 48.4937 759850.1095 15.2829 15.2553 LDB: ============= START OF LOAD BALANCING ============== 10806 LDB: ============== END OF LOAD BALANCING =============== 10806 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10806 LDB: ============= START OF LOAD BALANCING ============== 10806.3 LDB: Largest compute 7034 load 0.032529 is 16.6% of average load 0.195565 LDB: Average compute 0.004370 is 2.2% of average load 0.195565 LDB: TIME 10806.3 LOAD: AVG 0.195565 MAX 0.216441 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.84 MB LDB: TIME 10806.3 LOAD: AVG 0.195565 MAX 0.216441 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.84 MB LDB: TIME 10806.3 LOAD: AVG 0.195565 MAX 0.216441 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.84 MB LDB: ============== END OF LOAD BALANCING =============== 10806.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10806.3 PRESSURE: 3416400 -303.028 31.531 46.7489 31.5301 -72.0508 228.165 46.7491 228.166 -71.6692 GPRESSURE: 3416400 -228.7 37.1531 65.2326 74.1876 -51.4886 221.831 20.7168 187.39 -68.8362 PRESSAVG: 3416400 -19.0113 -59.121 -21.6688 -59.121 5.26779 -15.6693 -21.6688 -15.6693 -4.77886 GPRESSAVG: 3416400 -17.3826 -60.4407 -23.1631 -57.9975 3.44867 -14.5242 -21.1196 -18.3185 -4.7454 TIMING: 3416400 CPU: 10794.1, 0.00325808/step Wall: 10794.1, 0.00325808/step, 1.43319 hours remaining, 236.933594 MB of memory in use. ENERGY: 3416400 3925.1197 20465.5516 14484.6309 252.3569 -202665.4613 2027.7414 0.0000 0.0000 52181.5322 -109328.5286 299.8880 -161510.0608 -108964.4737 299.5813 -148.9159 -116.3415 760802.4661 -6.1741 -6.2264 PRESSURE: 3416600 -387.861 -131.178 -136.384 -131.178 86.2715 133.387 -136.384 133.387 -24.0508 GPRESSURE: 3416600 -380.452 -238.59 -68.9372 -114.422 158.029 127.939 -31.0853 173.538 -1.04811 PRESSAVG: 3416600 -49.9488 -22.4575 4.11297 -22.4574 31.7225 53.7134 4.11306 53.7134 -12.1509 GPRESSAVG: 3416600 -50.7438 -22.4737 4.58766 -22.5984 33.2661 53.6402 4.57146 54.9302 -12.1732 TIMING: 3416600 CPU: 10794.7, 0.00319691/step Wall: 10794.7, 0.00319691/step, 1.40611 hours remaining, 237.003906 MB of memory in use. ENERGY: 3416600 3985.0671 20454.0554 14505.1508 253.1018 -203207.6656 2575.1768 0.0000 0.0000 52063.9080 -109371.2058 299.2120 -161435.1138 -109004.3307 299.9214 -108.5467 -74.4902 762231.2468 -10.1257 -9.8836 PRESSURE: 3416800 -53.9661 -126.445 114.322 -126.444 -78.4367 11.4138 114.323 11.4143 344.085 GPRESSURE: 3416800 -59.3155 -43.5902 177.48 -56.1272 -123.922 -7.45732 143.18 75.3554 478.65 PRESSAVG: 3416800 -41.5717 -17.7693 1.47025 -17.7693 9.98676 -6.7706 1.47023 -6.77062 -1.62007 GPRESSAVG: 3416800 -41.2137 -18.0499 1.6976 -16.2164 9.2046 -7.86366 0.224644 -6.91909 -1.48816 TIMING: 3416800 CPU: 10795.4, 0.0031872/step Wall: 10795.4, 0.0031872/step, 1.40166 hours remaining, 237.003906 MB of memory in use. ENERGY: 3416800 3935.7891 20576.2867 14432.1393 255.3715 -202936.3490 2446.4591 0.0000 0.0000 52143.1314 -109147.1719 299.6673 -161290.3033 -108791.8084 300.2699 70.5609 98.4709 762307.2524 -11.0683 -11.1657 PRESSURE: 3417000 51.2732 -162.797 -202.164 -162.797 -249.85 -132.658 -202.164 -132.658 41.4326 GPRESSURE: 3417000 37.9956 -170.702 -254.457 -141.159 -114.918 -112.496 -176.568 -208.406 15.9961 PRESSAVG: 3417000 -50.2278 -62.6648 54.9592 -62.6648 0.0132651 -26.7574 54.9592 -26.7574 -13.7642 GPRESSAVG: 3417000 -50.9786 -61.6506 53.5921 -65.1825 1.1948 -26.383 54.9637 -26.882 -13.8179 TIMING: 3417000 CPU: 10796, 0.00319483/step Wall: 10796, 0.00319483/step, 1.40484 hours remaining, 237.003906 MB of memory in use. ENERGY: 3417000 3939.6508 20329.0567 14450.1659 251.4439 -202959.6882 2521.1704 0.0000 0.0000 52311.8394 -109156.3612 300.6369 -161468.2005 -108798.7259 300.2191 -52.3813 -20.3089 763581.9505 -21.3262 -21.2006 PRESSURE: 3417200 -283.538 -62.2233 -250.264 -62.2233 -392.094 -292.218 -250.264 -292.218 -122.942 GPRESSURE: 3417200 -230.759 -77.2552 -169.416 -5.8985 -372.069 -254.118 -24.5082 -233.806 -111.537 PRESSAVG: 3417200 -6.38988 -22.5336 33.4547 -22.5336 54.2333 -58.0162 33.4548 -58.0162 6.072 GPRESSAVG: 3417200 -6.52024 -21.6045 34.7229 -22.4704 55.2832 -56.5569 34.7521 -58.527 5.74333 TIMING: 3417200 CPU: 10796.6, 0.00325415/step Wall: 10796.6, 0.00325415/step, 1.43074 hours remaining, 237.003906 MB of memory in use. ENERGY: 3417200 4043.5807 20395.0741 14437.0353 242.4916 -202732.5145 2173.4390 0.0000 0.0000 51819.5567 -109621.3372 297.8077 -161440.8939 -109251.8238 299.2836 -266.1914 -238.1218 762067.8959 17.9718 18.1688 PRESSURE: 3417400 -484.635 85.519 154.881 85.519 -386.691 62.0458 154.88 62.0456 -414.906 GPRESSURE: 3417400 -408.844 145.252 122.916 -28.344 -355.663 9.88799 144.116 18.2234 -433.851 PRESSAVG: 3417400 -41.6928 -24.9104 32.7612 -24.9105 -1.13476 10.0244 32.7612 10.0245 3.55278 GPRESSAVG: 3417400 -40.6698 -23.3233 31.7369 -25.0547 -2.53652 10.491 33.2966 9.16648 4.11215 TIMING: 3417400 CPU: 10797.3, 0.00321796/step Wall: 10797.3, 0.00321796/step, 1.41465 hours remaining, 237.003906 MB of memory in use. ENERGY: 3417400 3985.4149 20485.1288 14435.7730 240.9188 -203033.8752 2209.7748 0.0000 0.0000 52012.0246 -109664.8404 298.9138 -161676.8649 -109291.2118 298.5296 -428.7442 -399.4526 762502.8177 -13.0916 -13.0314 PRESSURE: 3417600 -223.111 118.037 -32.5374 118.037 269.513 -150.431 -32.5374 -150.429 -124.679 GPRESSURE: 3417600 -161.291 145.653 60.8105 121.232 310.356 -32.5648 -115.033 -8.80397 -119.497 PRESSAVG: 3417600 -19.1951 -20.4091 59.6993 -20.4091 39.9206 8.11698 59.6993 8.11699 -4.87651 GPRESSAVG: 3417600 -20.6336 -22.6449 61.0931 -18.5118 41.3534 5.12103 56.8654 10.5894 -5.33394 TIMING: 3417600 CPU: 10797.9, 0.00320068/step Wall: 10797.9, 0.00320068/step, 1.40688 hours remaining, 237.003906 MB of memory in use. ENERGY: 3417600 3971.3667 20383.4235 14389.9405 250.5479 -203461.3330 2504.6248 0.0000 0.0000 51868.8263 -110092.6033 298.0909 -161961.4296 -109728.5964 297.7479 -26.0925 9.8560 760636.1566 5.2830 5.1286 PRESSURE: 3417800 -60.3875 105.488 -61.3891 105.489 90.2255 200.727 -61.3895 200.727 102.649 GPRESSURE: 3417800 -12.5798 71.8626 -75.6212 52.7198 107.44 171.87 -117.622 154.455 125.887 PRESSAVG: 3417800 -3.98335 -23.8989 35.0148 -23.8989 4.42334 91.8804 35.0148 91.8804 25.6426 GPRESSAVG: 3417800 -4.54763 -23.1317 35.6745 -27.1771 4.71745 91.8458 36.6001 91.0746 26.1887 TIMING: 3417800 CPU: 10798.6, 0.00318763/step Wall: 10798.6, 0.00318763/step, 1.40096 hours remaining, 237.003906 MB of memory in use. ENERGY: 3417800 3978.2475 20435.0373 14436.8862 238.9507 -203461.2130 2709.8372 0.0000 0.0000 51626.5689 -110035.6853 296.6986 -161662.2542 -109670.1392 298.0076 44.1623 73.5823 760751.0624 8.6942 8.7862 PRESSURE: 3418000 129.006 -123.262 162.351 -123.262 129.787 -262.954 162.351 -262.953 119.799 GPRESSURE: 3418000 60.6094 -86.5975 221.933 -109.492 208.552 -334.018 270.953 -307.627 177.67 PRESSAVG: 3418000 -36.3181 4.86661 108.943 4.86662 58.8349 -29.6117 108.943 -29.6117 -20.6535 GPRESSAVG: 3418000 -35.2361 3.28514 107.111 9.0508 58.156 -28.3833 109.867 -29.6989 -21.1796 TIMING: 3418000 CPU: 10799.2, 0.00316675/step Wall: 10799.2, 0.00316675/step, 1.39161 hours remaining, 237.003906 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: 3418000 3943.1515 20511.3094 14384.9770 241.2003 -203517.3184 2580.7033 0.0000 0.0000 52044.3921 -109811.5848 299.0998 -161855.9769 -109451.2155 298.0625 126.1974 148.9438 761482.0937 0.6211 0.5801 PRESSURE: 3418200 -344.02 168.934 233.688 168.934 140.711 -138.303 233.688 -138.302 -97.0249 GPRESSURE: 3418200 -290.489 109.571 148.856 181.07 184.174 -119.248 243.87 -67.0195 -124.904 PRESSAVG: 3418200 -40.6427 43.253 46.6531 43.253 68.0819 23.7871 46.6532 23.7872 9.88285 GPRESSAVG: 3418200 -40.8631 44.7859 47.7481 40.4536 68.5699 24.3651 45.7584 23.7505 9.88305 TIMING: 3418200 CPU: 10799.8, 0.00318004/step Wall: 10799.8, 0.00318004/step, 1.39727 hours remaining, 237.003906 MB of memory in use. ENERGY: 3418200 3997.7411 20534.4015 14420.8330 238.5892 -204185.9484 2842.5504 0.0000 0.0000 52243.4369 -109908.3963 300.2437 -162151.8332 -109547.2069 298.6530 -100.1110 -77.0729 761089.0304 12.4407 12.5300 PRESSURE: 3418400 -45.7897 -300.534 62.2243 -300.534 -20.7341 -30.7356 62.2244 -30.7359 288.604 GPRESSURE: 3418400 50.7531 -287.507 80.0261 -322.741 -90.6267 -54.1843 53.2018 -77.7572 351.033 PRESSAVG: 3418400 -34.5807 35.0048 18.1896 35.0048 45.7891 -9.87793 18.1896 -9.87796 -3.94563 GPRESSAVG: 3418400 -32.7218 34.68 19.8432 34.2741 44.421 -10.267 16.3016 -9.18017 -4.1744 TIMING: 3418400 CPU: 10800.5, 0.0031614/step Wall: 10800.5, 0.0031614/step, 1.38891 hours remaining, 237.003906 MB of memory in use. ENERGY: 3418400 4039.9815 20288.4095 14535.6961 241.9364 -204040.9832 3071.5173 0.0000 0.0000 52044.2173 -109819.2251 299.0988 -161863.4424 -109446.4895 298.9698 74.0267 103.7199 762229.8981 2.4209 2.5083 PRESSURE: 3418600 -285.834 52.5171 194.434 52.5173 -328.262 -50.3175 194.434 -50.3173 -527.485 GPRESSURE: 3418600 -183.397 95.7004 246.123 29.0053 -331.076 -89.125 175.859 -78.961 -557.942 PRESSAVG: 3418600 50.7713 -35.7309 39.9883 -35.7309 -54.2984 0.937934 39.9883 0.937901 -3.15362 GPRESSAVG: 3418600 49.4849 -37.0178 38.7101 -32.4865 -53.5479 0.384723 42.1782 -0.102794 -2.29094 TIMING: 3418600 CPU: 10801.1, 0.00315711/step Wall: 10801.1, 0.00315711/step, 1.38685 hours remaining, 237.003906 MB of memory in use. ENERGY: 3418600 4011.6244 20611.1454 14454.3390 250.1187 -203015.9776 2224.6656 0.0000 0.0000 51814.1618 -109649.9228 297.7767 -161464.0845 -109293.5215 298.8396 -380.5270 -357.4720 761590.9321 -2.2269 -2.1180 PRESSURE: 3418800 -154.207 -121.486 -113.435 -121.486 75.7024 71.216 -113.435 71.2155 131.619 GPRESSURE: 3418800 -46.1425 -201.574 -153.579 -250.678 117.539 105.547 -151.443 52.5414 60.9945 PRESSAVG: 3418800 -19.8903 -32.3031 6.7417 -32.3032 -24.8792 47.7961 6.74167 47.7961 -18.2668 GPRESSAVG: 3418800 -18.8871 -32.2718 6.86375 -33.0827 -24.587 47.4627 7.10066 46.9112 -19.8796 TIMING: 3418800 CPU: 10801.7, 0.0031701/step Wall: 10801.7, 0.0031701/step, 1.39238 hours remaining, 237.003906 MB of memory in use. ENERGY: 3418800 3965.3787 20635.1863 14428.0748 247.9402 -203793.7414 2881.0627 0.0000 0.0000 51890.8374 -109745.2613 298.2174 -161636.0987 -109387.1386 299.0611 17.7048 44.1304 761206.8335 -21.0121 -21.1179 PRESSURE: 3419000 162.131 109.243 -114.469 109.244 323.293 8.79977 -114.469 8.7985 -106.961 GPRESSURE: 3419000 220.141 109.473 -98.6686 97.1546 275.856 13.4518 22.6211 -50.5386 -38.57 PRESSAVG: 3419000 15.1433 3.08966 2.42467 3.08967 -2.81514 2.07532 2.4247 2.07524 36.235 GPRESSAVG: 3419000 15.5196 6.21854 2.23844 3.07823 -4.06354 3.12238 1.75105 3.29918 37.8927 TIMING: 3419000 CPU: 10802.4, 0.00321056/step Wall: 10802.4, 0.00321056/step, 1.40997 hours remaining, 237.003906 MB of memory in use. ENERGY: 3419000 3958.2837 20473.3926 14439.4727 257.3383 -203970.2977 3145.2454 0.0000 0.0000 52037.1698 -109659.3953 299.0583 -161696.5651 -109299.2757 298.4499 126.1543 152.4756 762231.6710 16.1877 16.4496 PRESSURE: 3419200 238.914 173.658 -103.903 173.657 -70.9597 82.248 -103.903 82.2481 149.904 GPRESSURE: 3419200 145.254 202.238 -124.056 47.818 66.0035 55.636 -178.177 177.049 180.205 PRESSAVG: 3419200 25.3566 -19.6472 -9.21525 -19.6473 -26.4727 -37.2607 -9.21526 -37.2607 15.4267 GPRESSAVG: 3419200 24.4513 -20.7403 -9.61179 -20.6199 -25.7018 -38.8149 -9.56717 -36.7615 15.2657 TIMING: 3419200 CPU: 10803, 0.00319675/step Wall: 10803, 0.00319675/step, 1.40373 hours remaining, 237.003906 MB of memory in use. ENERGY: 3419200 3935.6477 20593.0206 14416.0951 241.4762 -203462.5996 2700.7400 0.0000 0.0000 51880.0246 -109695.5953 298.1552 -161575.6199 -109339.3312 298.3171 105.9527 130.4877 760329.3945 4.7702 4.6717 PRESSURE: 3419400 16.5156 15.2623 -25.9881 15.262 -186.646 -128.532 -25.9874 -128.533 -559.566 GPRESSURE: 3419400 23.1186 53.5439 -7.12849 49.9502 -89.5539 -75.6507 -15.0984 -69.6875 -570.001 PRESSAVG: 3419400 -61.9755 21.7042 18.0275 21.7041 64.7362 -11.0188 18.0275 -11.0189 -14.7095 GPRESSAVG: 3419400 -62.1816 22.3786 18.9894 20.8844 65.0299 -9.19774 17.3803 -11.2671 -14.782 TIMING: 3419400 CPU: 10803.6, 0.00318141/step Wall: 10803.6, 0.00318141/step, 1.39681 hours remaining, 237.003906 MB of memory in use. ENERGY: 3419400 4052.0855 20457.7329 14395.9951 229.1139 -203537.5497 2735.5367 0.0000 0.0000 52063.9125 -109603.1729 299.2120 -161667.0854 -109240.5885 299.1347 -243.2320 -212.1454 762227.6973 -3.9829 -3.9779 PRESSURE: 3419600 -111.965 28.491 -254.744 28.4908 111.52 -62.801 -254.745 -62.8017 148.977 GPRESSURE: 3419600 -84.3234 60.8352 -209.691 79.9416 116.045 -14.6545 -167.825 -11.2552 203.235 PRESSAVG: 3419600 -18.7273 46.3894 30.3101 46.3893 15.2456 16.3134 30.31 16.3134 0.436381 GPRESSAVG: 3419600 -19.5451 46.233 29.8663 47.922 16.1871 15.0561 30.9047 15.5844 0.062478 TIMING: 3419600 CPU: 10804.3, 0.00318464/step Wall: 10804.3, 0.00318464/step, 1.39806 hours remaining, 237.003906 MB of memory in use. ENERGY: 3419600 3933.3818 20438.2147 14422.0275 247.9492 -202969.0285 2389.2448 0.0000 0.0000 51966.7075 -109571.5029 298.6534 -161538.2104 -109225.9351 298.9800 49.5107 78.3191 761498.9482 -1.0151 -1.0985 PRESSURE: 3419800 -479.302 130.408 -145.781 130.409 -94.0364 120.779 -145.781 120.778 -136.276 GPRESSURE: 3419800 -323.111 4.06413 -218.565 110.439 -169.504 268.463 -71.2452 51.4134 -103.17 PRESSAVG: 3419800 -51.2772 51.5503 24.2102 51.5503 46.8574 21.3937 24.2103 21.3937 -24.2703 GPRESSAVG: 3419800 -51.9019 49.8485 23.6253 52.9354 46.0622 21.2413 26.0023 21.5826 -23.1781 TIMING: 3419800 CPU: 10804.9, 0.00318/step Wall: 10804.9, 0.00318/step, 1.39585 hours remaining, 237.003906 MB of memory in use. ENERGY: 3419800 4049.2101 20509.2232 14432.9647 247.5189 -203175.8742 2617.1534 0.0000 0.0000 51880.5164 -109439.2875 298.1580 -161319.8039 -109081.6010 299.1403 -236.5380 -198.5950 762329.3911 -9.5634 -9.6726 PRESSURE: 3420000 173.531 -130.102 50.4171 -130.103 -180.197 32.8748 50.4171 32.8742 158.507 GPRESSURE: 3420000 146.984 -129.893 91.3951 -124.179 -29.2595 54.0325 190.22 -76.2041 135.01 PRESSAVG: 3420000 -9.01533 -3.91919 -0.35765 -3.91912 52.4585 29.3508 -0.357692 29.3509 10.6317 GPRESSAVG: 3420000 -8.38399 -1.93459 0.355666 -5.84888 52.6426 31.0599 -2.79678 28.8109 9.81391 TIMING: 3420000 CPU: 10805.6, 0.00320421/step Wall: 10805.6, 0.00320421/step, 1.40629 hours remaining, 237.003906 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: 3420000 4060.4656 20437.0063 14440.4920 246.5427 -203530.6746 2812.4671 0.0000 0.0000 52348.0773 -109185.6236 300.8451 -161533.7009 -108825.9650 299.6367 50.6137 84.2449 760466.0267 18.0250 18.0242 PRESSURE: 3420200 154.998 62.268 -87.155 62.2675 -188.227 -128.699 -87.1553 -128.699 218.61 GPRESSURE: 3420200 163.494 61.1761 -181.324 87.4422 -187.664 -138.136 -46.2043 -90.748 275.586 PRESSAVG: 3420200 -6.37182 -31.1516 28.771 -31.1516 -0.73793 21.6931 28.771 21.6931 30.6533 GPRESSAVG: 3420200 -6.46388 -32.5554 29.558 -29.8694 -0.921135 22.9156 28.0624 22.6143 30.9071 TIMING: 3420200 CPU: 10806.2, 0.00318103/step Wall: 10806.2, 0.00318103/step, 1.39594 hours remaining, 237.003906 MB of memory in use. ENERGY: 3420200 4029.6419 20550.1785 14523.9142 260.9736 -203297.9222 2643.4206 0.0000 0.0000 52192.7800 -109097.0134 299.9526 -161289.7934 -108739.8349 300.1387 61.7938 83.8054 761899.9121 7.8478 7.8407 LDB: ============= START OF LOAD BALANCING ============== 10818.7 LDB: ============== END OF LOAD BALANCING =============== 10818.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10818.7 LDB: ============= START OF LOAD BALANCING ============== 10819.1 LDB: Largest compute 7034 load 0.033985 is 17.4% of average load 0.195545 LDB: Average compute 0.004354 is 2.2% of average load 0.195545 LDB: TIME 10819.1 LOAD: AVG 0.195545 MAX 0.213337 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 10819.1 LOAD: AVG 0.195545 MAX 0.213337 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 10819.1 LOAD: AVG 0.195545 MAX 0.213337 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 10819.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10819.1 PRESSURE: 3420400 -31.4645 50.0923 52.4881 50.0921 80.2177 -7.26692 52.488 -7.26655 77.3385 GPRESSURE: 3420400 52.0744 -27.4857 70.8167 113.629 6.29201 -112.191 243.587 -22.3321 161.722 PRESSAVG: 3420400 0.0174653 -52.0416 -2.4262 -52.0416 -9.30772 6.30943 -2.42619 6.30937 7.74924 GPRESSAVG: 3420400 0.88711 -51.5499 -1.78985 -52.6311 -9.89758 6.59081 -0.0634922 6.85082 7.26977 TIMING: 3420400 CPU: 10806.9, 0.00326864/step Wall: 10806.9, 0.00326864/step, 1.43421 hours remaining, 237.628906 MB of memory in use. ENERGY: 3420400 4014.5338 20366.2219 14496.7906 242.4349 -203502.4814 2744.2720 0.0000 0.0000 52440.5186 -109197.7096 301.3764 -161638.2282 -108825.3135 300.1790 42.0306 73.3628 760853.9388 -0.5137 -0.5802 PRESSURE: 3420600 247.028 103.717 4.09299 103.717 77.1575 187.243 4.09207 187.243 165.131 GPRESSURE: 3420600 242.04 32.3621 -100.571 90.276 142.563 95.5249 31.7648 193.94 205.468 PRESSAVG: 3420600 42.7839 -46.4483 7.62891 -46.4482 10.4027 -8.7162 7.62885 -8.71627 9.68203 GPRESSAVG: 3420600 40.9589 -48.4168 7.06349 -45.7768 10.9645 -9.567 7.84409 -11.102 10.7386 TIMING: 3420600 CPU: 10807.5, 0.00317408/step Wall: 10807.5, 0.00317408/step, 1.39254 hours remaining, 237.628906 MB of memory in use. ENERGY: 3420600 3959.4469 20678.7313 14438.7211 258.6275 -203408.9105 2685.6189 0.0000 0.0000 52042.4615 -109345.3032 299.0887 -161387.7648 -108987.0030 299.9515 163.1056 196.6902 762234.9578 20.9562 20.8873 PRESSURE: 3420800 -92.7352 -28.642 -51.5961 -28.6425 -454.202 -250.327 -51.5963 -250.328 145.627 GPRESSURE: 3420800 57.6623 -89.2693 -85.9715 -55.1565 -519.864 -276.119 -36.1693 -167.786 152.409 PRESSAVG: 3420800 12.7246 -26.7445 -18.4144 -26.7445 -38.8574 21.489 -18.4144 21.489 -24.7672 GPRESSAVG: 3420800 12.9851 -24.0662 -18.6546 -29.1165 -38.4439 21.6503 -19.995 23.6392 -25.3164 TIMING: 3420800 CPU: 10808.1, 0.00318944/step Wall: 10808.1, 0.00318944/step, 1.3991 hours remaining, 237.628906 MB of memory in use. ENERGY: 3420800 3993.5931 20381.9569 14467.6112 237.8123 -203173.8300 2610.6148 0.0000 0.0000 52314.9726 -109167.2692 300.6549 -161482.2419 -108801.1669 299.7725 -133.7701 -103.2644 762944.3343 -16.9667 -16.9251 PRESSURE: 3421000 16.3328 -9.01056 -91.7851 -9.00982 65.746 -65.5258 -91.7857 -65.5264 -6.9659 GPRESSURE: 3421000 73.5308 -67.3741 -75.7232 57.4876 34.9152 49.6746 -91.875 -152.354 59.4327 PRESSAVG: 3421000 8.28142 -26.2393 10.6429 -26.2392 -34.6827 -0.400714 10.6429 -0.400719 -0.140624 GPRESSAVG: 3421000 10.1753 -29.0385 10.8657 -24.6636 -35.4724 -1.49208 10.4325 -0.903741 -1.37645 TIMING: 3421000 CPU: 10808.8, 0.00314739/step Wall: 10808.8, 0.00314739/step, 1.38048 hours remaining, 237.628906 MB of memory in use. ENERGY: 3421000 3989.9143 20587.7330 14460.9777 240.0284 -203006.9276 2486.5267 0.0000 0.0000 52127.9057 -109113.8418 299.5798 -161241.7475 -108749.5002 300.2142 25.0376 55.9596 762464.4277 -8.8473 -8.8912 PRESSURE: 3421200 -88.7894 -79.0844 225.659 -79.0857 -660.758 88.2489 225.659 88.2481 -340.084 GPRESSURE: 3421200 -99.2327 -60.5362 269.704 -113.7 -593.607 118.896 51.7686 101.875 -316.06 PRESSAVG: 3421200 23.4714 -51.1956 -81.8903 -51.1957 2.48774 29.7437 -81.8904 29.7437 -27.3253 GPRESSAVG: 3421200 21.5355 -50.1069 -81.4175 -51.5682 2.10225 30.7507 -83.0979 28.4021 -25.2896 TIMING: 3421200 CPU: 10809.4, 0.00317293/step Wall: 10809.4, 0.00317293/step, 1.39151 hours remaining, 237.628906 MB of memory in use. ENERGY: 3421200 4021.6105 20591.3490 14454.5543 251.9265 -203243.7297 2513.3790 0.0000 0.0000 52208.3262 -109202.5843 300.0420 -161410.9104 -108839.3999 299.8935 -363.2105 -336.2999 763356.8286 -0.4554 -0.5506 PRESSURE: 3421400 287.58 -158.949 -47.5515 -158.949 -34.5581 99.6062 -47.5509 99.6061 191.424 GPRESSURE: 3421400 320.072 -145.816 -10.9261 -139.14 -34.9218 104.164 64.3236 91.8247 243.157 PRESSAVG: 3421400 52.627 -101.693 56.5248 -101.693 -52.036 17.8403 56.5248 17.8403 2.35067 GPRESSAVG: 3421400 53.5857 -102.32 55.9485 -100.879 -51.5142 18.327 59.0818 18.7878 1.31263 TIMING: 3421400 CPU: 10810, 0.00314299/step Wall: 10810, 0.00314299/step, 1.3782 hours remaining, 237.628906 MB of memory in use. ENERGY: 3421400 3945.0827 20588.2666 14526.7875 246.2982 -203625.7598 2880.2542 0.0000 0.0000 52324.6885 -109114.3822 300.7107 -161439.0707 -108747.8515 299.6672 148.1486 176.1024 761612.2023 0.9806 1.1280 PRESSURE: 3421600 -186.264 1.36249 -25.5001 1.36256 -252.562 -162.993 -25.5001 -162.993 11.6191 GPRESSURE: 3421600 -106.348 85.2117 -34.9415 -74.2099 -213.796 -97.222 -26.2364 -143.653 -20.5479 PRESSAVG: 3421600 82.3345 -76.2474 30.3595 -76.2474 -93.1852 -6.60954 30.3595 -6.60958 -9.17277 GPRESSAVG: 3421600 82.7576 -76.1372 30.0847 -77.208 -93.3491 -7.927 28.3299 -4.9261 -9.5872 TIMING: 3421600 CPU: 10810.6, 0.00315524/step Wall: 10810.6, 0.00315524/step, 1.3834 hours remaining, 237.628906 MB of memory in use. ENERGY: 3421600 3932.5048 20554.7351 14465.8773 252.9896 -203330.8635 2637.2079 0.0000 0.0000 52071.4777 -109416.0711 299.2555 -161487.5488 -109054.0418 299.6667 -142.4021 -113.5640 762445.1282 -6.6745 -6.7262 PRESSURE: 3421800 194.794 137.304 -81.7534 137.305 154.014 -78.2468 -81.7522 -78.2468 90.8054 GPRESSURE: 3421800 295.649 77.1624 -123.244 128.417 157.747 -115.572 -113.866 -4.4892 76.7397 PRESSAVG: 3421800 50.2182 -47.3387 33.0824 -47.3387 -28.4257 17.3244 33.0824 17.3245 5.9005 GPRESSAVG: 3421800 49.0658 -45.8329 33.1764 -48.1369 -26.8788 15.0464 33.6081 15.0728 5.65475 TIMING: 3421800 CPU: 10811.3, 0.00315597/step Wall: 10811.3, 0.00315597/step, 1.38354 hours remaining, 237.628906 MB of memory in use. ENERGY: 3421800 3948.3123 20589.1955 14439.9992 248.8887 -203723.3704 2880.6415 0.0000 0.0000 52079.5743 -109536.7590 299.3020 -161616.3333 -109157.7113 299.0917 146.5375 176.7119 760904.0553 9.2310 9.2806 PRESSURE: 3422000 -73.7894 -211.38 191.597 -211.38 212.717 150.461 191.596 150.461 -12.7408 GPRESSURE: 3422000 -16.2502 -106.422 178.387 -290.315 238.773 134.829 155.698 190.471 -15.6032 PRESSAVG: 3422000 76.2813 -78.8455 15.35 -78.8455 -18.8805 23.3425 15.3499 23.3425 14.6375 GPRESSAVG: 3422000 77.1954 -79.6478 14.646 -76.9758 -19.9388 25.8227 14.781 23.3689 14.5996 TIMING: 3422000 CPU: 10811.9, 0.00317084/step Wall: 10811.9, 0.00317084/step, 1.38989 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: 3422000 4005.0526 20669.1036 14502.3308 229.6034 -203197.8806 2485.2810 0.0000 0.0000 51913.5380 -109392.9712 298.3478 -161306.5092 -109039.0973 299.4018 42.0623 68.9732 760712.4606 24.0128 23.9521 PRESSURE: 3422200 84.8561 -10.0785 112.206 -10.0773 -54.7913 218.92 112.206 218.92 -331.483 GPRESSURE: 3422200 94.6591 -50.2989 120.183 35.4746 4.41944 222.341 47.536 103.376 -309.798 PRESSAVG: 3422200 40.0508 28.8585 7.63161 28.8584 -34.013 -29.1016 7.63159 -29.1017 -9.49403 GPRESSAVG: 3422200 39.2395 28.2052 8.54075 26.7623 -34.1243 -28.1616 9.14916 -30.0714 -8.37784 TIMING: 3422200 CPU: 10812.6, 0.00321377/step Wall: 10812.6, 0.00321377/step, 1.40853 hours remaining, 237.628906 MB of memory in use. ENERGY: 3422200 4024.4492 20523.9532 14541.4305 247.7156 -203494.7783 2759.1314 0.0000 0.0000 52101.8238 -109296.2746 299.4299 -161398.0984 -108934.2391 299.5470 -100.4728 -70.2397 761736.1627 -1.1521 -1.0875 PRESSURE: 3422400 157.113 -114.421 -283.432 -114.421 40.5944 79.6792 -283.433 79.6801 -36.1748 GPRESSURE: 3422400 162.978 -115.527 -209.941 -136.561 53.0713 98.3192 -188.386 138.599 42.7134 PRESSAVG: 3422400 39.203 -6.41844 71.0815 -6.41845 -5.14234 14.3008 71.0815 14.3007 -3.67425 GPRESSAVG: 3422400 39.0875 -5.08283 71.0882 -6.22161 -5.56243 12.0285 69.1988 16.5037 -3.5021 TIMING: 3422400 CPU: 10813.2, 0.00317454/step Wall: 10813.2, 0.00317454/step, 1.39115 hours remaining, 237.628906 MB of memory in use. ENERGY: 3422400 3965.2307 20640.1309 14521.9103 248.1333 -203640.7163 2894.9377 0.0000 0.0000 52287.7786 -109082.5948 300.4986 -161370.3734 -108734.9047 299.8861 53.8443 86.2541 762942.5649 10.1288 10.0077 PRESSURE: 3422600 -43.0601 -140.41 51.9858 -140.41 -119.084 -133.762 51.9855 -133.762 292.361 GPRESSURE: 3422600 -31.243 -278.257 68.5252 -93.6734 -45.2055 -165.457 147.447 -159.18 278.101 PRESSAVG: 3422600 -28.1352 -30.1156 -6.31239 -30.1156 3.56065 31.8983 -6.31246 31.8983 3.74747 GPRESSAVG: 3422600 -29.2602 -30.8694 -5.11665 -29.3612 4.60867 32.469 -6.034 30.3827 3.16725 TIMING: 3422600 CPU: 10813.8, 0.00314972/step Wall: 10813.8, 0.00314972/step, 1.3801 hours remaining, 237.628906 MB of memory in use. ENERGY: 3422600 4030.8857 20579.6353 14464.7057 247.8984 -203500.4061 2843.3945 0.0000 0.0000 52214.5367 -109119.3498 300.0777 -161333.8866 -108761.6079 300.1434 43.4056 67.2174 762675.3581 -6.9424 -7.1614 PRESSURE: 3422800 101.217 -88.8288 102.675 -88.8287 503.692 -47.7249 102.675 -47.725 79.6227 GPRESSURE: 3422800 116.498 -123.136 16.874 -103.008 549.194 -76.7883 125.618 -144.454 109.692 PRESSAVG: 3422800 -26.6577 -53.5483 -38.8798 -53.5482 30.8514 63.6887 -38.8798 63.6886 18.0478 GPRESSAVG: 3422800 -26.3379 -54.8891 -38.9095 -54.9753 29.776 64.9222 -38.5912 63.8476 18.8853 TIMING: 3422800 CPU: 10814.5, 0.00315291/step Wall: 10814.5, 0.00315291/step, 1.38132 hours remaining, 237.628906 MB of memory in use. ENERGY: 3422800 3906.0636 20582.8568 14440.7739 239.5448 -203161.2708 2880.1983 0.0000 0.0000 52155.8805 -108955.9528 299.7406 -161111.8334 -108591.1640 300.1218 228.1771 258.4615 763245.9438 7.4138 7.4411 PRESSURE: 3423000 479.278 -138.449 144.913 -138.449 65.551 237.677 144.913 237.677 264.541 GPRESSURE: 3423000 454.717 -246.461 129.464 -218.022 193.655 137.255 172.627 100.07 229.268 PRESSAVG: 3423000 7.18477 -18.3088 -6.60249 -18.3089 -5.82643 43.0949 -6.60241 43.0949 6.31017 GPRESSAVG: 3423000 7.53449 -17.587 -7.22901 -17.0612 -4.95134 40.3623 -6.9707 43.5289 5.14495 TIMING: 3423000 CPU: 10815.1, 0.00314927/step Wall: 10815.1, 0.00314927/step, 1.37956 hours remaining, 237.628906 MB of memory in use. ENERGY: 3423000 3945.7697 20440.4099 14526.8828 246.3907 -203639.4131 3070.9595 0.0000 0.0000 52189.1674 -109219.8330 299.9319 -161409.0005 -108850.6662 299.8639 269.7900 292.5469 760748.4948 2.5562 2.5760 PRESSURE: 3423200 -134.745 -57.7381 -239.391 -57.7387 95.9576 -84.3446 -239.391 -84.3449 -120.627 GPRESSURE: 3423200 -149.859 -191.769 -156.262 3.79072 108.891 -1.41625 -292.815 -133.847 -40.1684 PRESSAVG: 3423200 42.4935 -68.7381 -55.3256 -68.7381 -33.9765 110.607 -55.3256 110.607 -7.49336 GPRESSAVG: 3423200 42.905 -66.803 -55.4824 -70.0694 -33.5052 112.686 -52.7028 109.698 -7.75753 TIMING: 3423200 CPU: 10815.7, 0.00316567/step Wall: 10815.7, 0.00316567/step, 1.38656 hours remaining, 237.628906 MB of memory in use. ENERGY: 3423200 4014.7569 20714.8390 14548.7049 251.1588 -203184.3773 2527.5969 0.0000 0.0000 51973.6448 -109153.6760 298.6933 -161127.3209 -108790.5639 299.9033 -53.1381 -27.0455 760413.0953 0.3412 0.5474 PRESSURE: 3423400 243.388 16.0684 -45.0063 16.0684 -184.578 40.4416 -45.0068 40.4424 -290.673 GPRESSURE: 3423400 286.372 18.8274 -106.903 15.8038 -197.4 -55.8751 -96.2596 -34.1648 -231.897 PRESSAVG: 3423400 44.7654 8.08286 13.9458 8.08284 -27.1874 -20.7356 13.9458 -20.7356 12.3904 GPRESSAVG: 3423400 44.6391 6.21513 12.3587 10.9645 -27.5407 -22.3564 12.7374 -20.5789 12.9151 TIMING: 3423400 CPU: 10816.3, 0.00315965/step Wall: 10816.3, 0.00315965/step, 1.38375 hours remaining, 237.628906 MB of memory in use. ENERGY: 3423400 3961.3198 20611.4562 14415.9833 240.4557 -202828.9094 2154.3019 0.0000 0.0000 52366.4799 -109078.9127 300.9509 -161445.3926 -108710.4746 300.0762 -77.2876 -47.6415 761361.8311 9.9894 10.0045 PRESSURE: 3423600 -0.461433 -4.54124 132.723 -4.54072 271.603 152.066 132.724 152.066 -151.977 GPRESSURE: 3423600 45.3026 -134.673 161.56 -91.4687 170.154 142.415 10.9625 174.224 -22.5916 PRESSAVG: 3423600 15.7455 -28.4286 -12.8232 -28.4287 -16.3585 42.5848 -12.8232 42.5848 -8.08602 GPRESSAVG: 3423600 16.4475 -27.9954 -13.7123 -31.47 -18.1561 42.0789 -14.1837 42.2306 -7.2809 TIMING: 3423600 CPU: 10817, 0.00316606/step Wall: 10817, 0.00316606/step, 1.38638 hours remaining, 237.628906 MB of memory in use. ENERGY: 3423600 3997.2457 20432.0206 14469.3047 243.9124 -203692.4280 2703.5428 0.0000 0.0000 52333.2043 -109513.1975 300.7596 -161846.4018 -109144.1071 300.1679 39.7218 64.2882 760794.8372 -2.8997 -2.9965 PRESSURE: 3423800 -77.3798 17.9414 -121.822 17.9417 -76.7065 13.5539 -121.821 13.5549 -320.377 GPRESSURE: 3423800 -6.90353 96.5207 -123.067 56.1086 -17.9188 23.22 -35.1942 45.2452 -356.686 PRESSAVG: 3423800 -25.5832 -9.38748 -14.7291 -9.38748 4.38506 -41.4507 -14.7292 -41.4508 15.2712 GPRESSAVG: 3423800 -25.4155 -11.0563 -13.4922 -6.16104 4.73867 -40.1879 -14.6109 -40.1819 14.5641 TIMING: 3423800 CPU: 10817.6, 0.00313941/step Wall: 10817.6, 0.00313941/step, 1.37454 hours remaining, 237.628906 MB of memory in use. ENERGY: 3423800 4010.3518 20640.2412 14494.4448 243.3575 -203383.2938 2531.9307 0.0000 0.0000 51880.9013 -109582.0666 298.1603 -161462.9679 -109220.2810 299.4459 -158.1545 -127.1693 760808.0516 -1.9756 -2.0376 PRESSURE: 3424000 -206.509 207.305 26.7485 207.305 -212.864 -12.6827 26.7483 -12.6822 -136.998 GPRESSURE: 3424000 -178.722 138.575 -10.8701 168.787 -187.979 24.9461 29.1596 -23.9164 -111.619 PRESSAVG: 3424000 -13.2039 22.015 21.5779 22.0149 30.9111 9.80356 21.5779 9.80355 1.28226 GPRESSAVG: 3424000 -14.3827 23.2403 22.4282 20.1156 31.5219 9.74419 21.9755 11.274 1.55989 TIMING: 3424000 CPU: 10818.2, 0.00314485/step Wall: 10818.2, 0.00314485/step, 1.37675 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: 3424000 3974.4298 20603.1246 14429.1416 246.6787 -203344.6272 2502.0444 0.0000 0.0000 51836.1652 -109753.0429 297.9032 -161589.2081 -109397.3734 298.7039 -185.4570 -159.4397 761672.6742 6.3298 6.2330 PRESSURE: 3424200 309.431 -82.8425 -404.636 -82.8423 116.054 236.646 -404.636 236.647 -503.502 GPRESSURE: 3424200 304.281 -81.2169 -293.948 -100.763 80.0751 216.596 -250.224 108.63 -393.764 PRESSAVG: 3424200 -24.0825 -17.1267 15.2746 -17.1267 45.5306 31.2493 15.2746 31.2493 10.3059 GPRESSAVG: 3424200 -23.6896 -19.8015 15.3365 -13.806 44.5737 30.8958 15.7922 28.9979 10.8896 TIMING: 3424200 CPU: 10818.9, 0.0031706/step Wall: 10818.9, 0.0031706/step, 1.38784 hours remaining, 237.628906 MB of memory in use. ENERGY: 3424200 3959.5244 20567.3531 14428.0102 253.1834 -203647.8671 2666.5940 0.0000 0.0000 52177.9625 -109595.2395 299.8675 -161773.2020 -109225.6129 298.9288 -26.0056 -3.1362 761770.8737 10.5847 10.5913 LDB: ============= START OF LOAD BALANCING ============== 10831.4 LDB: ============== END OF LOAD BALANCING =============== 10831.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10831.4 LDB: ============= START OF LOAD BALANCING ============== 10831.7 LDB: Largest compute 7034 load 0.031824 is 16.3% of average load 0.195645 LDB: Average compute 0.004369 is 2.2% of average load 0.195645 LDB: TIME 10831.7 LOAD: AVG 0.195645 MAX 0.216875 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.566 MB LDB: TIME 10831.7 LOAD: AVG 0.195645 MAX 0.216875 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.566 MB LDB: TIME 10831.7 LOAD: AVG 0.195645 MAX 0.216875 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.566 MB LDB: ============== END OF LOAD BALANCING =============== 10831.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10831.7 PRESSURE: 3424400 -96.4658 -47.2503 -16.1293 -47.2495 -349.4 34.856 -16.1292 34.8558 -70.0961 GPRESSURE: 3424400 -41.7267 -56.0001 -63.745 -88.4112 -301.226 73.379 -78.8785 73.5434 -102.136 PRESSAVG: 3424400 15.1206 -20.0139 23.002 -20.0139 -44.3403 22.9129 23.0021 22.9129 -11.0705 GPRESSAVG: 3424400 15.5311 -17.1717 20.8686 -21.6989 -44.3835 22.2044 23.6389 22.5087 -11.6362 TIMING: 3424400 CPU: 10819.5, 0.00323857/step Wall: 10819.5, 0.00323857/step, 1.41742 hours remaining, 235.449219 MB of memory in use. ENERGY: 3424400 3950.0796 20623.8495 14489.9052 249.4705 -203415.7677 2544.9437 0.0000 0.0000 51874.1781 -109683.3409 298.1216 -161557.5191 -109325.3282 299.1055 -171.9873 -148.3629 761742.8706 -13.4301 -13.4962 PRESSURE: 3424600 -9.16222 122.989 90.9288 122.988 -81.8623 -73.1119 90.9281 -73.1121 -13.9483 GPRESSURE: 3424600 -134.917 -17.8356 113.095 39.7624 47.1209 -34.5892 256.495 -10.6574 65.726 PRESSAVG: 3424600 -1.89733 -71.0593 -1.79192 -71.0592 18.4243 -45.8839 -1.79195 -45.8839 2.38842 GPRESSAVG: 3424600 -1.83339 -71.1386 -0.545061 -72.2133 18.7736 -45.0751 -3.28933 -44.6048 2.17222 TIMING: 3424600 CPU: 10820.2, 0.00318326/step Wall: 10820.2, 0.00318326/step, 1.39303 hours remaining, 235.503906 MB of memory in use. ENERGY: 3424600 4014.3177 20481.6313 14446.9393 230.8016 -203470.1054 2764.3111 0.0000 0.0000 51930.4797 -109601.6247 298.4452 -161532.1044 -109238.5580 299.1850 -34.9909 -7.3566 760857.9925 6.3051 6.3708 PRESSURE: 3424800 35.7095 -190.332 -9.88355 -190.333 59.7075 -31.8066 -9.88299 -31.8065 -61.8459 GPRESSURE: 3424800 48.6093 -169.326 21.9531 -272.309 143.075 11.7519 -76.714 -28.6859 -66.278 PRESSAVG: 3424800 -27.0573 -17.7702 11.6646 -17.7701 18.6307 7.89721 11.6646 7.89725 4.05819 GPRESSAVG: 3424800 -27.2249 -19.2816 13.1518 -16.9308 18.6795 7.7276 12.6017 7.47993 3.92694 TIMING: 3424800 CPU: 10820.8, 0.00316737/step Wall: 10820.8, 0.00316737/step, 1.3859 hours remaining, 235.742188 MB of memory in use. ENERGY: 3424800 3985.3131 20571.5875 14417.8815 258.3160 -203407.9984 2606.8083 0.0000 0.0000 51776.1462 -109791.9458 297.5582 -161568.0920 -109425.2843 299.0035 11.1904 41.8021 760592.9708 -1.4562 -1.5395 PRESSURE: 3425000 -20.652 -186.858 85.3811 -186.858 17.589 32.1856 85.3797 32.1844 -102.678 GPRESSURE: 3425000 89.1659 -244.169 153.42 -218.348 -59.1978 -128.826 74.3538 -145.419 -57.7013 PRESSAVG: 3425000 -10.9127 2.82912 -57.0981 2.82913 18.1949 -19.5444 -57.0981 -19.5444 -8.24383 GPRESSAVG: 3425000 -10.4028 2.13604 -57.4203 2.27938 17.4374 -19.1807 -57.3946 -20.967 -8.11015 TIMING: 3425000 CPU: 10821.4, 0.00314752/step Wall: 10821.4, 0.00314752/step, 1.37704 hours remaining, 235.742188 MB of memory in use. ENERGY: 3425000 4025.7132 20636.8628 14405.7087 258.8832 -203286.3170 2448.0387 0.0000 0.0000 51696.8307 -109814.2796 297.1024 -161511.1103 -109456.5418 298.9412 -35.2470 -9.2444 760174.1628 -0.3205 -0.3585 PRESSURE: 3425200 -37.4427 -232.668 -28.7845 -232.666 232.23 3.26808 -28.7836 3.26815 118.778 GPRESSURE: 3425200 44.4102 -289.612 16.4025 -167.996 235.629 -15.2989 -165.449 1.19535 126.416 PRESSAVG: 3425200 -21.7179 -53.6278 -19.3671 -53.6278 -39.564 -27.1567 -19.3672 -27.1567 -5.65483 GPRESSAVG: 3425200 -21.838 -51.0766 -20.3742 -52.7653 -39.5227 -27.56 -19.4196 -26.9253 -5.81382 TIMING: 3425200 CPU: 10822, 0.00313457/step Wall: 10822, 0.00313457/step, 1.3712 hours remaining, 235.742188 MB of memory in use. ENERGY: 3425200 3931.0595 20450.3118 14537.6848 240.3749 -203471.7443 2573.5163 0.0000 0.0000 51950.8642 -109787.9327 298.5623 -161738.7970 -109431.9648 298.5705 104.5217 135.4849 760356.6417 -22.3122 -22.3915 PRESSURE: 3425400 101.175 126.922 -156.568 126.922 -121.601 -338.651 -156.568 -338.651 -200.041 GPRESSURE: 3425400 89.2882 114.234 -57.7966 -62.3868 -80.3689 -329.406 -88.8889 -294.94 -164.875 PRESSAVG: 3425400 -5.67765 15.5763 -20.0172 15.5763 -21.0759 -67.1684 -20.0172 -67.1683 -1.75429 GPRESSAVG: 3425400 -6.10672 14.6467 -18.7971 14.7558 -20.3855 -67.5408 -19.6447 -67.2879 -2.37667 TIMING: 3425400 CPU: 10822.7, 0.00314966/step Wall: 10822.7, 0.00314966/step, 1.37763 hours remaining, 235.742188 MB of memory in use. ENERGY: 3425400 4024.1981 20450.0658 14438.5356 248.6782 -203678.0066 2752.5208 0.0000 0.0000 52030.8411 -109733.1671 299.0220 -161764.0082 -109373.8548 299.1244 -73.4891 -51.9852 761162.8095 -9.5026 -9.6230 PRESSURE: 3425600 84.524 257.596 230.142 257.596 -89.2763 216.105 230.142 216.105 -208.857 GPRESSURE: 3425600 58.5155 322.286 223.653 157.432 -88.8348 254.255 98.9882 40.1009 -97.1547 PRESSAVG: 3425600 1.27484 -31.6425 26.637 -31.6425 -12.3505 -58.6644 26.637 -58.6645 4.51001 GPRESSAVG: 3425600 1.36899 -30.9525 24.4291 -30.6142 -12.8496 -58.3572 26.197 -57.6122 4.83922 TIMING: 3425600 CPU: 10823.3, 0.00314935/step Wall: 10823.3, 0.00314935/step, 1.37731 hours remaining, 235.742188 MB of memory in use. ENERGY: 3425600 3983.7408 20535.1464 14470.9335 269.4084 -203403.3166 2676.1016 0.0000 0.0000 51814.4059 -109653.5799 297.7781 -161467.9858 -109302.1564 298.9519 -71.2030 -42.4913 762689.1807 -2.1886 -2.2138 PRESSURE: 3425800 151.072 148.738 41.7332 148.739 45.6688 -218.149 41.7327 -218.15 -152.336 GPRESSURE: 3425800 166.188 -34.1281 39.1806 196.227 27.1505 -280.472 -50.7953 -172.642 -78.5588 PRESSAVG: 3425800 32.4984 3.46077 9.774 3.46081 -35.9079 -34.6734 9.77393 -34.6734 6.87348 GPRESSAVG: 3425800 32.5233 1.78725 12.7043 2.74148 -34.8952 -34.8149 10.4525 -34.8511 6.44803 TIMING: 3425800 CPU: 10823.9, 0.00315042/step Wall: 10823.9, 0.00315042/step, 1.37761 hours remaining, 235.742188 MB of memory in use. ENERGY: 3425800 3973.0247 20649.0465 14502.9005 250.9251 -203394.3228 2482.6011 0.0000 0.0000 52027.8154 -109508.0095 299.0046 -161535.8249 -109145.6996 299.3665 14.8017 38.2600 762494.5876 1.1546 1.3587 PRESSURE: 3426000 382.427 83.3918 -256.919 83.3923 -84.0183 -71.405 -256.919 -71.406 176.528 GPRESSURE: 3426000 425.695 15.0383 -174.326 96.0974 -9.25881 13.6452 -240.761 -80.5069 135.624 PRESSAVG: 3426000 -11.2218 -53.2967 -33.507 -53.2966 22.7524 19.0881 -33.507 19.088 2.27788 GPRESSAVG: 3426000 -11.6173 -53.5565 -35.0287 -51.4648 22.682 19.2404 -33.5238 19.1337 3.11145 TIMING: 3426000 CPU: 10824.6, 0.00313421/step Wall: 10824.6, 0.00313421/step, 1.37035 hours remaining, 235.742188 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: 3426000 3933.8977 20491.3511 14424.6473 250.4374 -203436.9244 2818.4678 0.0000 0.0000 52199.8201 -109318.3032 299.9931 -161518.1233 -108959.9688 298.9386 158.3122 184.0198 762629.1379 4.6028 4.7254 PRESSURE: 3426200 -26.4719 47.7108 34.1329 47.7105 -521.895 -247.358 34.1322 -247.359 14.3367 GPRESSURE: 3426200 -102.098 34.9821 -55.8944 23.7805 -421.846 -217.336 35.6079 -291.43 62.6712 PRESSAVG: 3426200 -24.2228 -10.4803 -23.4875 -10.4803 20.1518 -14.9189 -23.4874 -14.9189 18.7642 GPRESSAVG: 3426200 -23.5457 -12.0903 -23.5492 -11.3925 19.669 -14.2084 -22.5706 -14.6296 18.6529 TIMING: 3426200 CPU: 10825.2, 0.00314509/step Wall: 10825.2, 0.00314509/step, 1.37493 hours remaining, 235.742188 MB of memory in use. ENERGY: 3426200 4002.0798 20484.1486 14515.4342 219.1772 -203143.3140 2383.1784 0.0000 0.0000 51886.6063 -109652.6895 298.1930 -161539.2958 -109293.7133 299.1738 -178.0101 -153.7577 761847.3866 4.8977 4.9254 PRESSURE: 3426400 -227.486 148.667 -55.8755 148.666 -248.146 -33.2689 -55.8756 -33.2694 -114.996 GPRESSURE: 3426400 -245.918 211.794 -55.3014 49.3883 -181.055 42.3748 -53.1036 -76.4427 -99.8493 PRESSAVG: 3426400 13.6258 -1.79129 23.5164 -1.79131 -0.690984 -9.62462 23.5164 -9.62469 10.7252 GPRESSAVG: 3426400 12.2774 -1.22779 24.1372 -2.31589 0.984824 -9.09914 21.499 -12.3659 10.0712 TIMING: 3426400 CPU: 10825.8, 0.00313864/step Wall: 10825.8, 0.00313864/step, 1.37194 hours remaining, 235.742188 MB of memory in use. ENERGY: 3426400 3967.1900 20555.1787 14477.7573 239.8389 -203387.7123 2352.2926 0.0000 0.0000 52159.3416 -109636.1133 299.7605 -161795.4549 -109266.0177 298.7805 -196.8760 -175.6073 761775.9432 7.8867 7.7778 PRESSURE: 3426600 -372.263 -123.784 -24.9693 -123.784 -25.9713 38.1216 -24.9698 38.1216 -54.518 GPRESSURE: 3426600 -258.776 -100.903 -38.4663 -93.2843 -91.4285 159.74 -0.33486 89.9862 -19.453 PRESSAVG: 3426600 -35.6826 7.6825 19.1625 7.68256 9.3905 -27.4757 19.1625 -27.4757 29.2765 GPRESSAVG: 3426600 -35.1897 5.89282 17.9756 8.38263 8.22246 -28.038 20.2759 -24.4441 30.519 TIMING: 3426600 CPU: 10826.4, 0.00314642/step Wall: 10826.4, 0.00314642/step, 1.37516 hours remaining, 235.742188 MB of memory in use. ENERGY: 3426600 4038.6157 20500.0317 14431.7705 238.0679 -203654.3239 2610.3264 0.0000 0.0000 52217.9573 -109617.5545 300.0973 -161835.5118 -109257.5390 298.9341 -150.9173 -123.2190 760211.2071 0.9948 1.1839 PRESSURE: 3426800 -316.061 -104.348 143.462 -104.347 -173.793 -109.722 143.462 -109.722 -32.2994 GPRESSURE: 3426800 -155.293 -47.6043 156.419 -1.00344 -270.391 -145.128 14.0275 -207.063 -24.0057 PRESSAVG: 3426800 -27.3707 -47.9552 30.3515 -47.9552 18.4671 19.9757 30.3515 19.9757 -0.941434 GPRESSAVG: 3426800 -25.8194 -45.6785 31.7463 -49.4111 18.1246 19.2588 30.0364 19.6531 -2.60731 TIMING: 3426800 CPU: 10827.1, 0.00315494/step Wall: 10827.1, 0.00315494/step, 1.37871 hours remaining, 235.742188 MB of memory in use. ENERGY: 3426800 3975.0834 20659.6919 14436.1432 255.4832 -203154.1057 2174.0729 0.0000 0.0000 52052.3679 -109601.2632 299.1457 -161653.6311 -109236.6100 299.2739 -174.0511 -149.8965 760725.8643 -3.2817 -3.4341 PRESSURE: 3427000 -377.58 -348.415 -104.584 -348.415 -373.033 189.653 -104.584 189.653 -84.5377 GPRESSURE: 3427000 -312.818 -296.405 -102.576 -327.234 -235.698 179.909 14.8734 3.47496 -201.037 PRESSAVG: 3427000 21.2684 -28.875 -14.0405 -28.875 -4.99679 16.1865 -14.0406 16.1864 7.56316 GPRESSAVG: 3427000 19.2219 -29.4921 -15.5397 -26.8387 -4.04508 16.3215 -11.4114 16.2577 8.31592 TIMING: 3427000 CPU: 10827.7, 0.00313575/step Wall: 10827.7, 0.00313575/step, 1.37015 hours remaining, 235.742188 MB of memory in use. ENERGY: 3427000 4040.5840 20654.3502 14367.4722 262.5273 -203088.5581 2279.8887 0.0000 0.0000 52143.4356 -109340.3000 299.6690 -161483.7356 -108988.9986 299.8549 -278.3835 -249.8510 762245.4308 7.9449 7.8309 PRESSURE: 3427200 514.686 92.8347 14.1875 92.8355 -21.2244 18.2744 14.1876 18.2752 320.174 GPRESSURE: 3427200 484.504 106.323 101.865 42.4135 141.725 -39.1503 -0.701808 115.929 266.463 PRESSAVG: 3427200 31.4764 -1.96031 -33.7876 -1.96027 -21.8916 -1.75625 -33.7876 -1.7563 -14.8056 GPRESSAVG: 3427200 31.7107 -1.55338 -33.8741 -2.1215 -21.5997 -0.301404 -35.3622 -1.86167 -15.5241 TIMING: 3427200 CPU: 10828.3, 0.00314191/step Wall: 10828.3, 0.00314191/step, 1.37267 hours remaining, 235.742188 MB of memory in use. ENERGY: 3427200 3970.4928 20573.1988 14496.4968 234.5925 -203685.9917 2832.9178 0.0000 0.0000 52195.3311 -109382.9620 299.9673 -161578.2931 -109023.1510 299.7226 271.2117 297.5641 759507.6503 -1.7403 -1.8044 PRESSURE: 3427400 123.184 -89.5664 -17.3993 -89.5661 145.156 179.599 -17.3994 179.599 235.164 GPRESSURE: 3427400 145.424 -161.966 5.18664 -43.8323 193.9 213.908 -57.0798 171.03 246.798 PRESSAVG: 3427400 32.7201 -51.1049 -55.8005 -51.1049 15.5657 24.0036 -55.8005 24.0037 1.59815 GPRESSAVG: 3427400 33.1904 -51.7549 -54.1864 -52.5106 15.4385 22.5801 -55.3952 22.8732 1.88787 TIMING: 3427400 CPU: 10829, 0.00314433/step Wall: 10829, 0.00314433/step, 1.37355 hours remaining, 235.742188 MB of memory in use. ENERGY: 3427400 3951.7564 20712.9719 14411.1595 252.3353 -203481.5926 2887.8940 0.0000 0.0000 52153.3400 -109112.1356 299.7260 -161265.4755 -108746.6758 300.0633 167.8347 195.3741 761805.7597 16.6280 16.8389 PRESSURE: 3427600 -161.857 48.0106 -134.869 48.011 -4.99912 -115.393 -134.869 -115.393 -9.16569 GPRESSURE: 3427600 -50.5673 120.318 -157.074 15.572 -30.9637 -53.9127 -111.97 17.801 -3.02753 PRESSAVG: 3427600 -28.1558 -16.8244 -13.0319 -16.8244 24.2069 -5.99696 -13.0318 -5.99695 -17.0672 GPRESSAVG: 3427600 -27.4836 -17.0707 -14.478 -13.3514 23.4178 -6.1445 -13.03 -4.74935 -17.0629 TIMING: 3427600 CPU: 10829.6, 0.00312161/step Wall: 10829.6, 0.00312161/step, 1.36345 hours remaining, 235.742188 MB of memory in use. ENERGY: 3427600 4036.2751 20539.1084 14369.4675 244.2954 -203517.6952 2803.1660 0.0000 0.0000 52536.0451 -108989.3377 301.9254 -161525.3827 -108619.7369 300.5818 -58.6739 -28.1862 759637.7490 -7.0054 -7.0429 PRESSURE: 3427800 263.06 260.536 10.0988 260.537 -240.186 -214.934 10.0986 -214.934 -30.1365 GPRESSURE: 3427800 344.05 201.839 -44.8477 263.958 -194.272 -238.059 5.00683 -238.536 -91.6199 PRESSAVG: 3427800 1.32222 4.17566 -7.93771 4.17564 -12.6812 35.078 -7.93766 35.0781 12.6941 GPRESSAVG: 3427800 1.57897 4.28764 -6.44357 1.13778 -12.7595 34.8752 -9.5628 34.8119 11.8113 TIMING: 3427800 CPU: 10830.2, 0.00315646/step Wall: 10830.2, 0.00315646/step, 1.37849 hours remaining, 235.742188 MB of memory in use. ENERGY: 3427800 4024.5774 20615.0503 14404.3728 247.8478 -203146.5031 2675.0102 0.0000 0.0000 52292.1611 -108887.4834 300.5238 -161179.6445 -108515.6609 300.9828 -2.4208 19.3860 761850.0930 0.4450 0.2102 PRESSURE: 3428000 -181.553 209.741 80.5064 209.741 221.819 117.801 80.5074 117.801 -122.503 GPRESSURE: 3428000 -75.8716 168.949 114.088 106.944 157.011 60.5421 92.1713 98.554 -76.6669 PRESSAVG: 3428000 20.3561 -4.44513 -8.004 -4.44508 4.00352 18.8376 -8.00402 18.8377 -4.58844 GPRESSAVG: 3428000 19.159 -5.11451 -8.70681 -3.68895 3.76963 17.6177 -6.53001 19.1171 -3.22099 TIMING: 3428000 CPU: 10830.9, 0.00318675/step Wall: 10830.9, 0.00318675/step, 1.39155 hours remaining, 235.742188 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: 3428000 4002.8337 20643.2552 14472.7729 229.5368 -203435.6560 2780.8836 0.0000 0.0000 52323.3942 -108982.9797 300.7033 -161306.3739 -108610.4803 300.8815 -27.4122 1.4908 761643.3656 6.5904 6.5692 PRESSURE: 3428200 -278.86 33.383 0.199642 33.3837 -285.076 -106.603 0.199537 -106.602 388.586 GPRESSURE: 3428200 -284.765 50.6598 28.641 -24.9717 -209.553 -75.0076 -44.6602 -139.594 375.801 PRESSAVG: 3428200 0.941597 -11.8897 -7.24816 -11.8898 -10.0903 80.3877 -7.24818 80.3878 -43.0607 GPRESSAVG: 3428200 0.97017 -9.45455 -8.45909 -12.1547 -9.39923 80.8721 -8.532 78.4459 -43.5458 TIMING: 3428200 CPU: 10831.5, 0.00316908/step Wall: 10831.5, 0.00316908/step, 1.38366 hours remaining, 235.742188 MB of memory in use. ENERGY: 3428200 4012.5856 20610.7388 14419.7502 231.3053 -203003.5862 2390.7679 0.0000 0.0000 52199.8854 -109138.5530 299.9935 -161338.4384 -108761.0983 300.0556 -58.4499 -39.5059 762872.9812 -17.4031 -17.3250 LDB: ============= START OF LOAD BALANCING ============== 10844 LDB: ============== END OF LOAD BALANCING =============== 10844 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10844 LDB: ============= START OF LOAD BALANCING ============== 10844.3 LDB: Largest compute 7031 load 0.030946 is 15.8% of average load 0.195616 LDB: Average compute 0.004359 is 2.2% of average load 0.195616 LDB: TIME 10844.3 LOAD: AVG 0.195616 MAX 0.216965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 10844.3 LOAD: AVG 0.195616 MAX 0.216965 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: TIME 10844.3 LOAD: AVG 0.195616 MAX 0.216965 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.359 MB LDB: ============== END OF LOAD BALANCING =============== 10844.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10844.3 PRESSURE: 3428400 115.82 116.418 -227.606 116.418 -80.1371 -85.1452 -227.607 -85.1448 -321.516 GPRESSURE: 3428400 87.1939 -15.0771 -254.185 129.772 -30.7424 -130.281 -231.717 -61.7568 -269.979 PRESSAVG: 3428400 41.1899 -0.147901 -56.3273 -0.147964 -13.5392 40.5406 -56.3274 40.5407 -8.56288 GPRESSAVG: 3428400 40.7366 -2.28538 -56.9159 -0.240512 -13.7937 42.7758 -54.3709 43.3664 -8.02734 TIMING: 3428400 CPU: 10832.1, 0.0032061/step Wall: 10832.1, 0.0032061/step, 1.39964 hours remaining, 235.519531 MB of memory in use. ENERGY: 3428400 3984.4614 20551.3566 14554.2575 228.0438 -203069.4345 2286.9353 0.0000 0.0000 52254.0907 -109210.2892 300.3050 -161464.3799 -108854.5595 299.6822 -95.2777 -71.1759 762410.6650 6.3626 6.3052 PRESSURE: 3428600 203.107 199.853 -181.19 199.853 -244.827 -163.469 -181.19 -163.469 219.251 GPRESSURE: 3428600 221.541 167.127 -121.487 125.944 -147.225 -35.223 -30.4395 -185.018 204.242 PRESSAVG: 3428600 -4.26877 18.1611 -21.9476 18.1611 27.3868 13.8608 -21.9476 13.8608 1.28164 GPRESSAVG: 3428600 -4.80287 18.2108 -19.3075 18.4199 27.4307 12.5904 -21.4331 13.5384 1.37462 TIMING: 3428600 CPU: 10832.8, 0.00315523/step Wall: 10832.8, 0.00315523/step, 1.37726 hours remaining, 235.519531 MB of memory in use. ENERGY: 3428600 4058.0185 20659.8556 14417.4528 274.8551 -203334.3407 2615.9148 0.0000 0.0000 52154.0116 -109154.2323 299.7298 -161308.2439 -108792.5326 300.0041 59.1772 92.8527 759498.5285 8.1332 8.0008 PRESSURE: 3428800 78.6677 70.8842 87.7235 70.8841 -71.4556 -10.5651 87.7237 -10.5651 -65.5267 GPRESSURE: 3428800 91.8942 -0.36279 147.576 153.628 -1.02737 82.6161 -53.0023 -92.5392 -52.7722 PRESSAVG: 3428800 -39.3136 0.885814 17.5342 0.885766 47.4909 -13.8288 17.5342 -13.8288 -21.2623 GPRESSAVG: 3428800 -38.4601 0.701808 14.6126 1.20835 47.3774 -15.5879 16.7531 -11.8123 -21.8772 TIMING: 3428800 CPU: 10833.4, 0.00315348/step Wall: 10833.4, 0.00315348/step, 1.37632 hours remaining, 235.519531 MB of memory in use. ENERGY: 3428800 3987.5007 20749.4568 14506.0890 236.7617 -203336.2564 2426.9183 0.0000 0.0000 52339.2334 -109090.2965 300.7943 -161429.5299 -108727.6976 300.8006 -19.4382 12.6982 761487.1354 -4.3617 -4.3200 PRESSURE: 3429000 -126.338 -178.707 -18.6917 -178.707 -350.783 27.5009 -18.6914 27.4997 84.611 GPRESSURE: 3429000 -145.743 -156.944 -52.9359 -175.335 -259.837 104.218 48.2638 -61.0067 95.7454 PRESSAVG: 3429000 -17.3099 19.4681 64.3616 19.4681 57.2642 48.8622 64.3616 48.8622 13.3805 GPRESSAVG: 3429000 -17.544 20.4581 66.4009 17.4955 57.223 50.5743 62.4067 45.8613 13.7772 TIMING: 3429000 CPU: 10834, 0.00315802/step Wall: 10834, 0.00315802/step, 1.37812 hours remaining, 235.519531 MB of memory in use. ENERGY: 3429000 3949.0206 20668.9226 14549.7427 228.7738 -203148.7979 2282.7358 0.0000 0.0000 52227.9861 -109241.6163 300.1550 -161469.6024 -108883.4176 300.3296 -130.8368 -103.2783 760923.8618 17.7783 17.8187 PRESSURE: 3429200 -49.7404 6.47224 118.218 6.47302 185.837 -327.118 118.218 -327.117 76.9716 GPRESSURE: 3429200 26.0629 -77.7888 62.7015 -18.2416 156.426 -304.527 67.5475 -335.274 116.168 PRESSAVG: 3429200 -3.38262 -0.183043 1.01227 -0.183006 0.372538 -56.9019 1.01222 -56.9019 29.9492 GPRESSAVG: 3429200 -3.09798 -0.70008 -0.0602434 0.914563 -1.00535 -57.998 2.77188 -55.8179 30.6203 TIMING: 3429200 CPU: 10834.7, 0.00317405/step Wall: 10834.7, 0.00317405/step, 1.38494 hours remaining, 235.519531 MB of memory in use. ENERGY: 3429200 3953.7147 20635.2712 14430.5531 228.3111 -203214.1617 2660.8205 0.0000 0.0000 52156.1389 -109149.3522 299.7420 -161305.4911 -108774.4405 299.7578 71.0227 99.5525 759858.3723 8.9797 8.8390 PRESSURE: 3429400 -127.799 65.7916 -82.604 65.7923 -129.677 24.7832 -82.6039 24.7835 -238.796 GPRESSURE: 3429400 -31.2348 7.49311 -82.7586 63.2509 -97.6428 98.6311 -89.8767 -93.0248 -260.325 PRESSAVG: 3429400 -28.3654 31.1584 -10.8693 31.1584 9.67843 -20.6676 -10.8692 -20.6675 -19.6642 GPRESSAVG: 3429400 -28.5993 32.4 -10.3803 31.5826 10.6955 -18.6075 -10.8419 -22.9253 -20.8271 TIMING: 3429400 CPU: 10835.3, 0.00316912/step Wall: 10835.3, 0.00316912/step, 1.38262 hours remaining, 235.519531 MB of memory in use. ENERGY: 3429400 3971.6039 20548.8426 14511.4966 258.0610 -203188.3130 2475.4823 0.0000 0.0000 52234.0919 -109188.7346 300.1900 -161422.8265 -108822.3924 300.2923 -165.4240 -129.7344 762232.5740 -12.7837 -12.9103 PRESSURE: 3429600 13.0615 139.66 185.849 139.661 119.919 -265.353 185.849 -265.353 -159.232 GPRESSURE: 3429600 107.321 106.775 228.953 29.0206 38.9214 -254.713 60.2613 -203.466 -77.1957 PRESSAVG: 3429600 -25.621 -13.983 94.0666 -13.9829 25.1985 -17.3316 94.0665 -17.3317 32.1203 GPRESSAVG: 3429600 -26.7188 -16.766 94.9226 -11.8066 25.5854 -19.8514 93.871 -14.189 32.6298 TIMING: 3429600 CPU: 10835.9, 0.00317266/step Wall: 10835.9, 0.00317266/step, 1.38398 hours remaining, 235.519531 MB of memory in use. ENERGY: 3429600 3949.9447 20617.0317 14407.7885 234.0780 -203666.4728 2918.6368 0.0000 0.0000 52390.3845 -109148.6086 301.0883 -161538.9930 -108783.6700 299.6667 -8.7503 23.0154 762287.6910 10.5660 10.4988 PRESSURE: 3429800 -360.678 -121.328 189.422 -121.328 41.612 169.384 189.422 169.385 -11.2792 GPRESSURE: 3429800 -318.017 -110.138 165.115 -182.585 21.4803 179.259 198.61 172.231 39.637 PRESSAVG: 3429800 -5.19849 -67.386 76.1828 -67.3859 0.60269 44.6928 76.1828 44.6928 24.3334 GPRESSAVG: 3429800 -4.74042 -66.0559 76.0983 -68.6105 0.609871 45.976 75.4619 42.2487 23.3362 TIMING: 3429800 CPU: 10836.6, 0.00315575/step Wall: 10836.6, 0.00315575/step, 1.37643 hours remaining, 235.519531 MB of memory in use. ENERGY: 3429800 4043.8138 20354.9223 14487.4708 257.3581 -202807.2322 2373.1535 0.0000 0.0000 52137.5322 -109152.9816 299.6351 -161290.5138 -108787.0877 299.6737 -110.1149 -85.6332 761972.9521 6.5792 6.4019 PRESSURE: 3430000 -16.2511 -66.3774 -14.2426 -66.3775 -98.3542 8.62219 -14.2431 8.62166 -32.9848 GPRESSURE: 3430000 18.4105 -40.2915 -14.0279 -132.543 -70.4917 64.9426 -1.60356 13.7449 -14.4222 PRESSAVG: 3430000 -18.4967 -7.53089 69.0565 -7.53084 -18.062 34.4751 69.0564 34.4751 -11.2417 GPRESSAVG: 3430000 -18.8562 -6.12408 70.4017 -9.13229 -17.8797 35.8603 68.7644 35.6799 -11.3262 TIMING: 3430000 CPU: 10837.2, 0.00318059/step Wall: 10837.2, 0.00318059/step, 1.38709 hours remaining, 235.519531 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: 3430000 4021.3805 20594.0832 14457.7757 230.5835 -202817.9801 2454.9534 0.0000 0.0000 51931.9643 -109127.2396 298.4537 -161059.2039 -108776.0889 299.6835 -49.1967 -22.1678 762113.5528 -15.9335 -16.0207 PRESSURE: 3430200 -126.749 0.19864 135.629 0.198493 42.4641 140.471 135.629 140.47 319.855 GPRESSURE: 3430200 -145.047 38.5601 121.441 63.3981 129.65 40.6782 261.89 137.832 335.13 PRESSAVG: 3430200 -22.0181 -33.2161 9.98159 -33.2161 6.38812 31.9679 9.98157 31.9679 20.6621 GPRESSAVG: 3430200 -21.3267 -33.3667 8.66522 -31.8237 6.14683 31.6319 9.73279 31.6558 20.0405 TIMING: 3430200 CPU: 10837.8, 0.00319239/step Wall: 10837.8, 0.00319239/step, 1.39206 hours remaining, 235.519531 MB of memory in use. ENERGY: 3430200 3963.9446 20453.3567 14409.7670 236.1761 -202907.2040 2476.7633 0.0000 0.0000 52109.3001 -109257.8962 299.4729 -161367.1963 -108894.5446 299.6297 78.5233 106.5778 761499.9979 1.6774 1.6202 PRESSURE: 3430400 -406.671 214.906 -89.5256 214.906 -146.094 -64.7388 -89.5259 -64.7395 -144.376 GPRESSURE: 3430400 -334.349 206.756 -66.8463 92.5913 -125.315 -53.4356 -12.5979 -103.628 -161.376 PRESSAVG: 3430400 -48.5172 -5.45119 -14.3803 -5.45117 21.6531 39.9123 -14.3803 39.9122 0.156747 GPRESSAVG: 3430400 -49.438 -7.17163 -14.1961 -4.82693 21.3492 39.8733 -13.5031 38.8067 1.05163 TIMING: 3430400 CPU: 10838.5, 0.00317912/step Wall: 10838.5, 0.00317912/step, 1.3861 hours remaining, 235.519531 MB of memory in use. ENERGY: 3430400 4016.4864 20527.1822 14525.3530 247.7143 -202576.6110 2130.6824 0.0000 0.0000 52251.9525 -108877.2402 300.2927 -161129.1928 -108512.6585 299.9542 -232.3800 -207.0132 762491.7688 -8.9024 -9.0124 PRESSURE: 3430600 219.117 -57.8796 -75.1057 -57.8789 -46.7663 70.8196 -75.1055 70.82 220.228 GPRESSURE: 3430600 175.868 -44.7137 -186.472 29.3679 -19.8769 139.878 -64.5216 -36.7102 303.857 PRESSAVG: 3430600 -24.6691 32.3581 -45.0019 32.358 12.3846 -17.1954 -45.002 -17.1955 16.7831 GPRESSAVG: 3430600 -24.7398 34.893 -47.0584 31.4133 11.8456 -17.788 -44.9824 -15.0403 17.1803 TIMING: 3430600 CPU: 10839.1, 0.00316782/step Wall: 10839.1, 0.00316782/step, 1.381 hours remaining, 235.519531 MB of memory in use. ENERGY: 3430600 3906.1732 20534.9100 14502.5860 250.6148 -202802.8816 2477.3544 0.0000 0.0000 52285.4632 -108845.7799 300.4853 -161131.2432 -108486.0109 300.2316 130.8598 153.2826 760610.1935 1.4995 1.4287 PRESSURE: 3430800 92.5618 -32.3835 -167.732 -32.3835 61.6467 33.5548 -167.732 33.5552 -74.2359 GPRESSURE: 3430800 151.899 37.2592 -274.883 -63.0775 60.85 77.6548 -71.0171 -38.3613 -52.6818 PRESSAVG: 3430800 -2.40853 -19.3228 -44.7119 -19.3228 1.24496 38.1701 -44.7118 38.1702 12.5313 GPRESSAVG: 3430800 -2.30497 -20.2825 -43.047 -19.6754 0.255621 37.9952 -44.4733 38.2655 12.9248 TIMING: 3430800 CPU: 10839.7, 0.00317378/step Wall: 10839.7, 0.00317378/step, 1.38342 hours remaining, 235.519531 MB of memory in use. ENERGY: 3430800 3931.2250 20450.1903 14478.6036 254.4549 -203025.8646 2676.2155 0.0000 0.0000 52344.4801 -108890.6953 300.8244 -161235.1754 -108516.5755 300.5552 26.6576 53.3556 760906.5598 3.7892 3.6252 PRESSURE: 3431000 -147.107 167.649 -101.748 167.65 -5.47257 293.031 -101.747 293.031 -157.874 GPRESSURE: 3431000 -87.3852 100.149 -29.4228 157.752 59.4281 293.984 -129.483 106.881 -190.648 PRESSAVG: 3431000 -55.9452 3.61669 29.4002 3.61666 34.1966 36.8562 29.4001 36.8561 0.742143 GPRESSAVG: 3431000 -55.4228 5.10747 28.7735 3.10323 34.7833 36.9773 29.875 33.1552 -0.461512 TIMING: 3431000 CPU: 10840.4, 0.00317849/step Wall: 10840.4, 0.00317849/step, 1.38529 hours remaining, 235.519531 MB of memory in use. ENERGY: 3431000 4009.7475 20413.2955 14443.6317 250.5470 -202720.9467 2405.7261 0.0000 0.0000 52144.8627 -109053.1361 299.6772 -161197.9988 -108696.9631 299.5074 -103.4844 -72.8684 761398.0161 -7.0022 -7.0337 PRESSURE: 3431200 -398.353 71.235 92.1529 71.2342 -41.9669 -81.3246 92.1526 -81.3245 -1.94393 GPRESSURE: 3431200 -302.863 103.753 78.2009 28.5132 -27.4643 -23.7782 93.2161 28.2599 -32.0814 PRESSAVG: 3431200 -54.4271 6.63894 16.4191 6.63899 64.0108 -14.5249 16.4191 -14.5249 -1.75029 GPRESSAVG: 3431200 -55.2358 4.66072 16.5339 6.27221 64.4537 -14.1505 16.2756 -11.9493 -1.42411 TIMING: 3431200 CPU: 10841, 0.00318772/step Wall: 10841, 0.00318772/step, 1.38914 hours remaining, 235.519531 MB of memory in use. ENERGY: 3431200 3987.4237 20522.2463 14382.3235 257.7087 -203037.4864 2674.7122 0.0000 0.0000 52049.8197 -109163.2522 299.1310 -161213.0719 -108798.9454 300.0303 -147.4211 -120.8030 764162.9280 2.6111 2.5979 PRESSURE: 3431400 -132.964 -210.131 -65.9426 -210.131 1.96748 41.5701 -65.9433 41.5705 -270.672 GPRESSURE: 3431400 -12.1197 -242.395 7.93056 -171.518 -15.1108 115.732 12.0343 -35.7818 -322.19 PRESSAVG: 3431400 -13.2554 3.53792 -9.76578 3.53786 19.0923 22.0276 -9.7658 22.0276 -18.2831 GPRESSAVG: 3431400 -11.6625 3.25578 -9.36873 5.21707 17.1129 21.7764 -11.7027 23.2012 -18.2679 TIMING: 3431400 CPU: 10841.6, 0.00316994/step Wall: 10841.6, 0.00316994/step, 1.38121 hours remaining, 235.519531 MB of memory in use. ENERGY: 3431400 4069.9485 20493.6447 14431.9815 235.3475 -203288.1840 2436.8107 0.0000 0.0000 52198.2488 -109422.2023 299.9841 -161620.4512 -109064.6329 299.5879 -133.8894 -116.4735 762770.4030 -4.1487 -4.2725 PRESSURE: 3431600 230.67 34.0396 -67.3383 34.039 -227.787 -215.408 -67.3396 -215.407 -9.75368 GPRESSURE: 3431600 235.069 193.099 -47.1629 27.3931 -116.89 -223.328 0.155697 -244.35 -39.4289 PRESSAVG: 3431600 -7.50307 -29.3669 9.89235 -29.367 -18.5098 0.266351 9.8923 0.266408 25.5564 GPRESSAVG: 3431600 -8.50964 -28.7492 9.85712 -28.7893 -16.58 -0.232947 12.4015 -0.824312 25.0079 TIMING: 3431600 CPU: 10842.3, 0.00317059/step Wall: 10842.3, 0.00317059/step, 1.38132 hours remaining, 235.519531 MB of memory in use. ENERGY: 3431600 4017.8394 20400.5351 14505.1585 238.6886 -203578.1563 2617.6733 0.0000 0.0000 52145.8202 -109652.4412 299.6827 -161798.2613 -109290.4497 299.4439 -2.2903 26.2501 760811.3585 -0.1522 -0.0272 PRESSURE: 3431800 -160.643 -343.057 288.754 -343.057 165.402 -265.821 288.755 -265.821 -260.142 GPRESSURE: 3431800 -221.855 -291.445 162.582 -221.081 241.967 -269.946 167.957 -145.879 -185.857 PRESSAVG: 3431800 -25.2431 -2.21774 66.4176 -2.21776 -4.74617 8.35289 66.4177 8.35284 -9.97604 GPRESSAVG: 3431800 -25.4787 -0.960859 66.0976 -3.88471 -5.48579 9.58643 64.259 8.61024 -9.15349 TIMING: 3431800 CPU: 10842.9, 0.00318659/step Wall: 10842.9, 0.00318659/step, 1.38812 hours remaining, 235.519531 MB of memory in use. ENERGY: 3431800 3869.1255 20389.8760 14465.4311 259.5550 -203366.0617 2605.8281 0.0000 0.0000 52067.2008 -109709.0452 299.2309 -161776.2460 -109336.9129 298.7293 -85.1277 -55.2485 762055.2051 -13.3218 -13.3727 PRESSURE: 3432000 -132.973 -8.8669 139.351 -8.86686 102.34 165.981 139.352 165.982 -537.823 GPRESSURE: 3432000 -74.7141 -134.276 153.486 44.635 179.378 127.351 41.4545 165.684 -602.79 PRESSAVG: 3432000 -25.7634 -7.27726 -11.2921 -7.27728 33.046 -32.4052 -11.292 -32.4053 -6.00491 GPRESSAVG: 3432000 -26.5046 -10.111 -13.1222 -6.67295 31.6994 -31.177 -9.34735 -31.4137 -4.27301 TIMING: 3432000 CPU: 10843.5, 0.00316704/step Wall: 10843.5, 0.00316704/step, 1.37942 hours remaining, 235.519531 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: 3432000 3966.4106 20418.2169 14469.0826 243.4825 -203518.0786 2789.5101 0.0000 0.0000 51853.6408 -109777.7352 298.0036 -161631.3760 -109405.1068 298.6522 -189.4852 -166.0421 762154.0949 0.4259 0.3073 PRESSURE: 3432200 74.0514 194.147 141.567 194.147 30.3825 78.4222 141.567 78.4219 430.563 GPRESSURE: 3432200 133.101 197.515 175.693 139.512 5.90766 37.044 147.756 -14.7144 463.827 PRESSAVG: 3432200 0.994465 -15.3781 -3.38805 -15.3781 15.5201 31.2296 -3.3881 31.2296 4.29266 GPRESSAVG: 3432200 1.18413 -13.9279 -0.747671 -16.2536 17.06 28.044 -4.20506 30.8813 2.29115 TIMING: 3432200 CPU: 10844.2, 0.00317687/step Wall: 10844.2, 0.00317688/step, 1.38353 hours remaining, 235.519531 MB of memory in use. ENERGY: 3432200 3933.9203 20341.7470 14497.5422 262.7413 -203476.6722 2659.2270 0.0000 0.0000 51733.6355 -110047.8589 297.3139 -161781.4944 -109684.2416 298.4781 178.3324 200.9452 762694.0542 6.9357 6.8451 LDB: ============= START OF LOAD BALANCING ============== 10856.7 LDB: ============== END OF LOAD BALANCING =============== 10856.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10856.7 LDB: ============= START OF LOAD BALANCING ============== 10857 LDB: Largest compute 7072 load 0.032368 is 16.5% of average load 0.195662 LDB: Average compute 0.004353 is 2.2% of average load 0.195662 LDB: TIME 10857 LOAD: AVG 0.195662 MAX 0.219342 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.293 MB LDB: TIME 10857 LOAD: AVG 0.195662 MAX 0.219342 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.297 MB LDB: TIME 10857 LOAD: AVG 0.195662 MAX 0.216835 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.297 MB LDB: ============== END OF LOAD BALANCING =============== 10857 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10857 PRESSURE: 3432400 382.473 -62.009 -124.8 -62.0093 224.315 114.989 -124.801 114.989 -104.016 GPRESSURE: 3432400 420.831 -67.2285 -108.118 -68.3985 244.619 14.8743 -196.559 131.262 -63.3406 PRESSAVG: 3432400 -24.4572 18.323 -2.83083 18.3229 -22.9047 11.2617 -2.8308 11.2617 7.13813 GPRESSAVG: 3432400 -24.2095 18.5197 -3.86273 18.8079 -22.7929 11.6478 -3.36835 10.2509 6.8664 TIMING: 3432400 CPU: 10844.8, 0.00323781/step Wall: 10844.8, 0.00323781/step, 1.40989 hours remaining, 236.234375 MB of memory in use. ENERGY: 3432400 4003.0077 20450.9490 14536.8930 247.9050 -203766.6504 2730.8825 0.0000 0.0000 52166.0638 -109630.9495 299.7991 -161797.0132 -109274.3420 298.4508 167.5908 200.7032 761472.8650 -13.4079 -13.3787 PRESSURE: 3432600 -54.5564 13.4729 -171.228 13.473 28.7729 0.134629 -171.228 0.134847 -150.901 GPRESSURE: 3432600 -92.8997 16.8369 -190.048 194.979 121.881 58.5463 -6.8097 -83.5533 -101.738 PRESSAVG: 3432600 11.2524 25.7197 15.7162 25.7197 35.3079 -0.0472161 15.7161 -0.0472488 -7.69938 GPRESSAVG: 3432600 10.799 25.7233 15.8251 30.0236 34.9103 -1.32736 17.5687 1.84213 -6.80295 TIMING: 3432600 CPU: 10845.5, 0.00317859/step Wall: 10845.5, 0.00317859/step, 1.38392 hours remaining, 236.765625 MB of memory in use. ENERGY: 3432600 3923.8817 20556.0733 14508.1874 242.6038 -203461.5914 2537.3619 0.0000 0.0000 52106.5638 -109586.9196 299.4571 -161693.4834 -109233.2285 299.2711 -58.8947 -24.2525 762804.3111 12.9536 12.9688 PRESSURE: 3432800 110.613 -51.9142 134.132 -51.9139 278.839 -41.2282 134.133 -41.2291 52.8002 GPRESSURE: 3432800 89.8598 7.36708 170.76 14.2407 299.335 -114.968 215.35 -46.6069 143.011 PRESSAVG: 3432800 -42.9009 0.905505 17.3947 0.905497 27.5972 -65.1999 17.3947 -65.1999 9.12387 GPRESSAVG: 3432800 -42.2678 0.313149 16.1945 -2.98443 26.7227 -64.7226 17.6933 -65.1825 8.76894 TIMING: 3432800 CPU: 10846.1, 0.00314756/step Wall: 10846.1, 0.00314756/step, 1.37024 hours remaining, 236.765625 MB of memory in use. ENERGY: 3432800 4016.6984 20549.2389 14469.2642 267.3814 -203551.1279 2779.9146 0.0000 0.0000 51993.9021 -109474.7282 298.8097 -161468.6303 -109113.9223 298.7103 147.4175 177.4019 761228.8849 -2.0600 -2.2587 PRESSURE: 3433000 24.1632 214.069 -26.1649 214.069 272.58 176.906 -26.1652 176.904 20.0916 GPRESSURE: 3433000 61.6355 213.253 11.4143 127.638 288.134 97.962 -91.5864 25.6784 42.2564 PRESSAVG: 3433000 3.91798 46.6293 -5.31309 46.6294 -8.83285 -31.9968 -5.31314 -31.9969 9.12999 GPRESSAVG: 3433000 4.31682 47.6231 -4.83443 45.5756 -9.10513 -31.437 -5.29218 -35.3746 8.94884 TIMING: 3433000 CPU: 10846.7, 0.00316699/step Wall: 10846.7, 0.00316699/step, 1.37852 hours remaining, 236.765625 MB of memory in use. ENERGY: 3433000 3980.4745 20589.3353 14475.0413 260.8148 -203570.4824 2757.0118 0.0000 0.0000 52172.1803 -109335.6244 299.8342 -161507.8047 -108971.9547 299.8780 105.6118 130.6754 761476.5194 1.4050 1.3868 PRESSURE: 3433200 26.9894 -15.0026 -166.347 -15.0028 49.3749 91.3628 -166.347 91.3622 115.042 GPRESSURE: 3433200 34.2879 53.5355 -143.938 -65.4378 50.0507 -18.4671 -173.538 81.7111 179.685 PRESSAVG: 3433200 3.20091 39.9848 -25.9653 39.9847 -0.170565 -4.55678 -25.9653 -4.55674 -26.2827 GPRESSAVG: 3433200 2.72107 38.9608 -24.7914 39.1778 -0.0827561 -4.53502 -27.2382 -3.49984 -25.76 TIMING: 3433200 CPU: 10847.4, 0.00319774/step Wall: 10847.4, 0.00319774/step, 1.39173 hours remaining, 236.765625 MB of memory in use. ENERGY: 3433200 3973.4811 20508.2793 14440.2350 250.5140 -203035.5837 2397.5761 0.0000 0.0000 52170.6438 -109294.8544 299.8254 -161465.4983 -108924.8055 299.7456 63.8020 88.0078 761334.9800 -7.7508 -7.7072 PRESSURE: 3433400 36.9568 7.86192 -80.468 7.86262 -29.072 -15.5388 -80.4669 -15.5397 199.454 GPRESSURE: 3433400 153.327 83.0356 -102.485 8.51292 -3.75482 -96.0071 -32.8259 -51.8112 162.083 PRESSAVG: 3433400 -10.9839 31.4066 -40.0986 31.4066 -43.8076 -41.7029 -40.0986 -41.7029 34.9038 GPRESSAVG: 3433400 -12.0605 32.8223 -40.9879 32.8651 -43.6223 -40.6659 -39.8502 -44.084 35.5677 TIMING: 3433400 CPU: 10848, 0.00319324/step Wall: 10848, 0.00319324/step, 1.38959 hours remaining, 236.765625 MB of memory in use. ENERGY: 3433400 3989.3091 20565.3509 14438.9256 265.1250 -203015.4411 2569.7640 0.0000 0.0000 52060.2028 -109126.7636 299.1907 -161186.9665 -108760.2978 299.5706 69.1129 103.8850 761439.4327 -6.6293 -6.7050 PRESSURE: 3433600 -161.137 -108.294 183.332 -108.295 -264.42 -184.089 183.332 -184.089 -307.315 GPRESSURE: 3433600 -229.525 -130.72 112.749 -69.8073 -126.747 -254.479 156.486 -90.1397 -281.355 PRESSAVG: 3433600 -25.6965 -23.5215 50.6866 -23.5214 16.8696 18.6789 50.6866 18.6789 3.55326 GPRESSAVG: 3433600 -25.4718 -25.8901 49.7549 -23.4448 18.3394 19.9478 51.5196 19.2726 2.25402 TIMING: 3433600 CPU: 10848.6, 0.0031825/step Wall: 10848.6, 0.0031825/step, 1.38474 hours remaining, 236.765625 MB of memory in use. ENERGY: 3433600 3984.4880 20641.7645 14416.4669 228.0852 -203196.4545 2227.7829 0.0000 0.0000 52353.2114 -109344.6557 300.8746 -161697.8671 -108971.5101 299.9685 -244.2906 -212.5425 761146.2297 -1.7579 -1.6261 PRESSURE: 3433800 -172.105 -62.7651 111.478 -62.766 -207.584 -184.203 111.478 -184.202 -266.766 GPRESSURE: 3433800 -81.9726 -95.5316 84.2142 15.8777 -186.879 -175.77 34.7833 -28.3636 -292.317 PRESSAVG: 3433800 -25.9378 -71.6365 -29.9123 -71.6365 38.3107 -14.4704 -29.9123 -14.4704 -3.02261 GPRESSAVG: 3433800 -24.7852 -70.205 -28.5805 -70.7418 36.332 -19.0346 -31.5779 -11.1531 -2.28962 TIMING: 3433800 CPU: 10849.3, 0.00317486/step Wall: 10849.3, 0.00317486/step, 1.38124 hours remaining, 236.765625 MB of memory in use. ENERGY: 3433800 4000.0832 20486.5166 14457.8263 245.7332 -203066.6393 2411.6604 0.0000 0.0000 51941.2219 -109523.5977 298.5069 -161464.8196 -109150.3145 299.7665 -215.4850 -187.0564 760925.1646 3.1168 3.0857 PRESSURE: 3434000 -440.304 -39.0138 195.859 -39.0134 147.427 77.9142 195.859 77.9141 -42.088 GPRESSURE: 3434000 -428.775 -69.1666 80.6542 66.4891 234.131 56.6004 165.413 130.739 -58.906 PRESSAVG: 3434000 -11.7336 -60.9009 41.0807 -60.901 29.8801 11.1398 41.0807 11.1399 22.8806 GPRESSAVG: 3434000 -12.6661 -62.693 40.9226 -60.9324 30.7576 13.879 39.4853 9.12703 23.6888 TIMING: 3434000 CPU: 10849.9, 0.00316868/step Wall: 10849.9, 0.00316868/step, 1.37837 hours remaining, 236.765625 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: 3434000 4059.1315 20440.6843 14479.3170 234.6858 -203395.1907 2574.5659 0.0000 0.0000 52019.9790 -109586.8272 298.9595 -161606.8062 -109212.1781 299.2806 -111.6550 -84.5168 759605.9552 13.6757 13.9268 PRESSURE: 3434200 152.81 174.205 86.316 174.204 -46.5405 -110.458 86.3156 -110.459 323.024 GPRESSURE: 3434200 150.861 -21.0805 2.6362 209.064 -21.8759 -138.962 91.3629 -138.152 378.076 PRESSAVG: 3434200 -54.3872 -28.1296 15.6542 -28.1296 57.5851 -14.6439 15.6543 -14.6439 12.8439 GPRESSAVG: 3434200 -52.8827 -25.2957 15.78 -26.2705 56.2559 -14.7795 16.8969 -14.9908 12.662 TIMING: 3434200 CPU: 10850.6, 0.00318535/step Wall: 10850.6, 0.00318535/step, 1.38545 hours remaining, 236.765625 MB of memory in use. ENERGY: 3434200 4003.6924 20658.9147 14442.6032 253.5689 -203563.5158 2554.0760 0.0000 0.0000 52197.5488 -109453.1119 299.9800 -161650.6607 -109085.3455 299.7078 143.0976 169.0204 758859.0139 5.3472 5.3451 PRESSURE: 3434400 214.48 59.4889 -19.6548 59.4901 -255.497 101.924 -19.6549 101.924 -33.052 GPRESSURE: 3434400 132.244 37.5675 11.068 -4.86273 -115.994 108.005 91.297 110.935 -27.2209 PRESSAVG: 3434400 11.3476 -13.9066 9.23845 -13.9067 32.417 -14.7964 9.23844 -14.7964 9.55462 GPRESSAVG: 3434400 10.5846 -14.1497 8.53423 -15.1168 32.8059 -15.8061 10.2847 -11.9218 9.16275 TIMING: 3434400 CPU: 10851.2, 0.00319704/step Wall: 10851.2, 0.00319704/step, 1.39036 hours remaining, 236.765625 MB of memory in use. ENERGY: 3434400 4016.5655 20744.7338 14490.6467 235.0784 -203404.5127 2678.0894 0.0000 0.0000 51855.1489 -109384.2499 298.0123 -161239.3988 -109028.8243 299.7418 -24.6895 -3.6572 759183.0653 17.7731 17.5177 PRESSURE: 3434600 275.156 9.81821 24.0084 9.818 11.161 -84.7222 24.0078 -84.723 328.681 GPRESSURE: 3434600 347.213 99.3154 -15.1006 45.3517 50.0916 -91.7521 -83.2506 -89.1484 319.286 PRESSAVG: 3434600 14.5737 20.7795 -1.83549 20.7794 7.03355 3.1772 -1.83552 3.17712 -12.3786 GPRESSAVG: 3434600 13.8924 22.4054 -0.588478 19.9688 7.69815 4.76272 -2.26997 -0.102745 -12.0761 TIMING: 3434600 CPU: 10851.8, 0.00318261/step Wall: 10851.8, 0.0031826/step, 1.3839 hours remaining, 236.765625 MB of memory in use. ENERGY: 3434600 3899.0445 20525.2676 14557.7815 246.2313 -203395.7456 2695.5768 0.0000 0.0000 52011.3294 -109460.5146 298.9098 -161471.8439 -109099.6648 299.7744 204.9995 238.8637 759913.0008 3.0762 3.1715 PRESSURE: 3434800 29.7906 108.619 -85.1916 108.618 501.987 -256.4 -85.1904 -256.397 -74.948 GPRESSURE: 3434800 89.2036 65.7073 -213.951 60.9561 529.186 -241.746 -118.268 -178.702 -64.6479 PRESSAVG: 3434800 -61.3808 28.9 -22.8966 28.8999 7.28513 -51.2918 -22.8966 -51.2918 17.3303 GPRESSAVG: 3434800 -61.744 28.6531 -23.8934 28.1549 7.64011 -50.2124 -23.4767 -50.694 16.6611 TIMING: 3434800 CPU: 10852.5, 0.00318794/step Wall: 10852.5, 0.00318794/step, 1.38605 hours remaining, 236.765625 MB of memory in use. ENERGY: 3434800 3923.9986 20660.5563 14490.5950 251.4205 -203526.4414 2595.0526 0.0000 0.0000 52181.6756 -109423.1428 299.8888 -161604.8184 -109061.7026 299.3410 152.2764 184.5805 758362.0709 -12.2551 -12.4809 PRESSURE: 3435000 54.9898 -128.234 79.8727 -128.234 501.845 7.83513 79.8738 7.8349 280.789 GPRESSURE: 3435000 158.27 -207.509 160.723 -39.2666 461.194 -8.36906 118.354 41.2023 314.226 PRESSAVG: 3435000 -32.6288 -22.314 49.4751 -22.314 52.9355 10.1131 49.4751 10.1131 -0.822763 GPRESSAVG: 3435000 -31.7256 -25.3593 49.2532 -21.1664 52.3764 9.20574 50.6087 12.3873 -1.1177 TIMING: 3435000 CPU: 10853.1, 0.00319611/step Wall: 10853.1, 0.00319611/step, 1.38942 hours remaining, 236.765625 MB of memory in use. ENERGY: 3435000 3954.1588 20486.8782 14545.9501 257.3548 -203894.0199 3011.8628 0.0000 0.0000 51912.5190 -109725.2962 298.3420 -161637.8152 -109356.6282 299.4302 279.2076 311.2300 759390.3644 6.4946 6.5110 PRESSURE: 3435200 -160.43 -32.4741 66.9604 -32.4738 -130.809 -101.886 66.9604 -101.885 -65.8313 GPRESSURE: 3435200 -137.766 -137.188 13.3698 -3.29856 -35.7222 -30.2411 39.4085 -107.072 -102.585 PRESSAVG: 3435200 -37.6785 -63.4604 11.8907 -63.4604 55.5163 -13.8002 11.8906 -13.8002 -11.5421 GPRESSAVG: 3435200 -36.173 -61.7598 13.6589 -65.0363 53.537 -12.8508 10.3524 -15.0488 -10.7552 TIMING: 3435200 CPU: 10853.7, 0.00321681/step Wall: 10853.7, 0.00321681/step, 1.39824 hours remaining, 236.765625 MB of memory in use. ENERGY: 3435200 3950.2534 20564.6369 14503.3070 249.9288 -203352.1276 2361.0896 0.0000 0.0000 52123.0631 -109599.8487 299.5520 -161722.9118 -109236.1472 299.2437 -119.0232 -92.0244 760358.8876 2.0986 2.2029 PRESSURE: 3435400 -82.7123 28.1094 23.9439 28.11 83.7971 -119.143 23.9436 -119.143 -221.761 GPRESSURE: 3435400 -118.288 5.13277 113.079 -83.0133 180.017 -170.636 -0.0700931 -49.2959 -178.015 PRESSAVG: 3435400 -20.1053 -39.5157 26.3184 -39.5157 8.20357 -23.6113 26.3185 -23.6113 -1.71814 GPRESSAVG: 3435400 -22.2708 -39.7726 26.4572 -38.417 10.9262 -23.9308 25.6574 -22.8792 -1.83182 TIMING: 3435400 CPU: 10854.4, 0.00318128/step Wall: 10854.4, 0.00318128/step, 1.38262 hours remaining, 236.765625 MB of memory in use. ENERGY: 3435400 4045.1489 20391.7147 14469.8973 258.8606 -203596.6381 2764.8782 0.0000 0.0000 52159.3576 -109506.7808 299.7605 -161666.1383 -109143.2618 299.0930 -73.5588 -38.7621 761034.8276 -4.5400 -4.3921 PRESSURE: 3435600 268.162 121.42 -167.427 121.42 -340.177 29.0303 -167.427 29.0299 -60.7412 GPRESSURE: 3435600 169.897 77.7567 -115.148 43.6291 -135.289 -1.4484 -175.206 100.756 -69.8016 PRESSAVG: 3435600 23.951 -60.1575 -2.08052 -60.1575 4.11951 -38.3816 -2.08051 -38.3816 14.9299 GPRESSAVG: 3435600 24.7957 -61.072 -2.57195 -59.3288 3.06108 -37.9846 -1.1247 -38.5137 14.9147 TIMING: 3435600 CPU: 10855, 0.00319555/step Wall: 10855, 0.00319555/step, 1.38865 hours remaining, 236.765625 MB of memory in use. ENERGY: 3435600 3993.6952 20298.4460 14489.8918 217.7518 -203712.4975 2786.1872 0.0000 0.0000 52321.6754 -109604.8501 300.6934 -161926.5255 -109239.2917 298.9505 -44.2521 -11.7312 759498.6810 14.3335 14.2571 PRESSURE: 3435800 -298.296 -248.158 302.574 -248.157 89.2142 68.8002 302.574 68.8005 -28.9564 GPRESSURE: 3435800 -243.366 -274.724 233.662 -250.218 150.33 156.395 202.005 -2.97302 -57.3926 PRESSAVG: 3435800 6.54521 -34.7421 -9.93162 -34.742 29.03 10.6783 -9.93164 10.6782 28.0273 GPRESSAVG: 3435800 6.9396 -34.1582 -10.9072 -35.907 29.0628 10.8119 -8.49977 10.5703 26.9887 TIMING: 3435800 CPU: 10855.7, 0.00317049/step Wall: 10855.7, 0.00317049/step, 1.37758 hours remaining, 236.765625 MB of memory in use. ENERGY: 3435800 4063.9913 20516.4357 14479.7689 230.0955 -203536.0040 2552.1327 0.0000 0.0000 51922.6942 -109770.8858 298.4004 -161693.5800 -109411.1942 298.9806 -79.3459 -50.1431 761553.4917 21.2008 20.9970 PRESSURE: 3436000 126.521 -63.9402 -279.698 -63.9405 -329.996 367.478 -279.698 367.478 65.1823 GPRESSURE: 3436000 130.358 -118.687 -302.052 21.4294 -252.273 262.32 -138.818 274.189 67.9552 PRESSAVG: 3436000 12.5307 -26.7064 107.166 -26.7064 -13.8515 14.4932 107.166 14.4932 5.81832 GPRESSAVG: 3436000 11.356 -24.847 107.227 -28.6737 -13.7947 13.328 107 12.3504 6.44541 TIMING: 3436000 CPU: 10856.3, 0.00317029/step Wall: 10856.3, 0.00317029/step, 1.37732 hours remaining, 236.765625 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: 3436000 4003.6661 20448.2637 14406.5848 244.3384 -203622.8123 2703.7349 0.0000 0.0000 52044.6938 -109771.5306 299.1016 -161816.2244 -109408.4356 298.6755 -46.0977 -17.9867 759823.1000 1.4992 1.3355 PRESSURE: 3436200 -60.9119 -242.642 233.17 -242.641 18.7237 -91.1474 233.17 -91.1475 276.174 GPRESSURE: 3436200 6.23867 -162.582 144.595 -172.439 -9.01325 -187.415 223.797 -13.0068 305.464 PRESSAVG: 3436200 23.7389 -39.5048 5.28972 -39.5049 -45.0465 18.9614 5.28973 18.9614 27.1802 GPRESSAVG: 3436200 25.281 -41.6239 5.46104 -36.671 -46.5104 18.9691 5.61562 22.7247 27.5201 TIMING: 3436200 CPU: 10856.9, 0.00318633/step Wall: 10856.9, 0.00318633/step, 1.38411 hours remaining, 236.765625 MB of memory in use. ENERGY: 3436200 3938.8092 20619.4874 14417.9993 243.2694 -203844.7497 2724.1528 0.0000 0.0000 52091.3020 -109809.7297 299.3694 -161901.0317 -109464.5133 298.5623 77.9954 100.8965 760671.8111 1.9575 2.0969 LDB: ============= START OF LOAD BALANCING ============== 10869.5 LDB: ============== END OF LOAD BALANCING =============== 10869.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10869.5 LDB: ============= START OF LOAD BALANCING ============== 10869.8 LDB: Largest compute 7075 load 0.031237 is 16.0% of average load 0.195696 LDB: Average compute 0.004337 is 2.2% of average load 0.195696 LDB: TIME 10869.8 LOAD: AVG 0.195696 MAX 0.214392 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 10869.8 LOAD: AVG 0.195696 MAX 0.214392 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 10869.8 LOAD: AVG 0.195696 MAX 0.214392 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 10869.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10869.8 PRESSURE: 3436400 -59.0873 -75.8443 -209.329 -75.8438 254.188 -8.91883 -209.329 -8.91817 -291.807 GPRESSURE: 3436400 10.1365 -73.3481 -207.024 -163.366 188.107 61.0246 -149.886 -107.646 -227.431 PRESSAVG: 3436400 -29.7197 -22.9664 -64.1463 -22.9663 26.6644 -13.9365 -64.1463 -13.9365 -2.61259 GPRESSAVG: 3436400 -30.3884 -23.5635 -64.4525 -24.0057 27.0925 -14.1216 -65.7598 -17.7683 -2.60581 TIMING: 3436400 CPU: 10857.6, 0.00322476/step Wall: 10857.6, 0.00322476/step, 1.40062 hours remaining, 234.679688 MB of memory in use. ENERGY: 3436400 4007.0558 20401.5184 14470.4593 229.0130 -203688.8299 2840.7438 0.0000 0.0000 51876.1726 -109863.8670 298.1331 -161740.0396 -109509.3791 298.7585 -32.2352 -9.7292 759871.1445 -1.8893 -1.9673 PRESSURE: 3436600 -429.126 -151.967 103.493 -151.966 70.1537 -291.281 103.493 -291.281 -244.832 GPRESSURE: 3436600 -372.23 -202.049 96.2074 -7.38797 97.9196 -246.689 87.2216 -167.639 -235.063 PRESSAVG: 3436600 -13.7178 6.51588 4.15121 6.51585 26.3026 42.8301 4.15131 42.83 -18.6542 GPRESSAVG: 3436600 -12.9983 6.86042 4.08657 4.45827 26.7805 42.8948 4.2623 45.4114 -19.5268 TIMING: 3436600 CPU: 10858.2, 0.00315312/step Wall: 10858.2, 0.00315312/step, 1.36933 hours remaining, 234.917969 MB of memory in use. ENERGY: 3436600 4038.5058 20336.4414 14478.5803 239.4759 -203023.8831 2261.1900 0.0000 0.0000 51765.3778 -109904.3118 297.4963 -161669.6896 -109551.3731 298.2042 -201.2681 -169.7911 760723.2878 -2.0231 -1.9149 PRESSURE: 3436800 105.133 14.6144 73.4395 14.6144 49.2427 92.2956 73.44 92.2955 -437.221 GPRESSURE: 3436800 164.274 187.663 106.01 -96.6234 66.9161 104.961 43.8143 -29.6242 -415.842 PRESSAVG: 3436800 -54.889 -21.3544 -0.155126 -21.3543 68.1129 -9.09109 -0.155177 -9.09113 -13.5388 GPRESSAVG: 3436800 -54.9461 -20.996 -0.340429 -18.7479 66.7495 -8.57821 0.325955 -10.7706 -12.2142 TIMING: 3436800 CPU: 10858.8, 0.00316185/step Wall: 10858.8, 0.00316185/step, 1.37295 hours remaining, 234.972656 MB of memory in use. ENERGY: 3436800 3908.6048 20203.0647 14463.5995 233.9907 -203319.8636 2762.3515 0.0000 0.0000 51865.3781 -109882.8743 298.0710 -161748.2524 -109518.0663 297.7533 -94.2818 -61.5509 760881.5552 -0.1049 -0.1369 PRESSURE: 3437000 256.778 33.5605 -50.9461 33.5603 -77.6455 127.336 -50.9456 127.336 28.0624 GPRESSURE: 3437000 261.293 67.6799 -12.1375 82.8535 -9.60405 69.0531 2.64002 202.488 54.6283 PRESSAVG: 3437000 -11.0271 15.6195 -10.8144 15.6195 -18.6501 53.5927 -10.8144 53.5927 17.6076 GPRESSAVG: 3437000 -11.3948 15.5977 -12.6213 13.357 -16.9156 52.0104 -10.0222 54.7828 15.7951 TIMING: 3437000 CPU: 10859.5, 0.00313623/step Wall: 10859.5, 0.00313623/step, 1.36165 hours remaining, 235.195312 MB of memory in use. ENERGY: 3437000 3904.4214 20503.6047 14396.2882 236.9471 -203347.9379 2765.0210 0.0000 0.0000 51994.2662 -109547.3894 298.8118 -161541.6556 -109189.6639 298.3487 69.0649 102.1058 760955.4359 -4.0232 -4.1718 PRESSURE: 3437200 242.251 68.4194 147.067 68.4189 -45.2373 182.331 147.067 182.33 182.636 GPRESSURE: 3437200 233.568 48.8865 235.121 -6.92622 77.0353 167.185 64.8076 142.979 149.305 PRESSAVG: 3437200 -38.1623 25.3509 11.0849 25.3509 -8.29772 -10.2448 11.085 -10.2449 -13.6004 GPRESSAVG: 3437200 -38.2004 26.2099 12.6917 26.2311 -8.65363 -8.34095 10.3287 -11.6421 -13.056 TIMING: 3437200 CPU: 10860.1, 0.00313425/step Wall: 10860.1, 0.00313425/step, 1.36061 hours remaining, 235.195312 MB of memory in use. ENERGY: 3437200 3908.6749 20460.1585 14471.4271 233.4381 -203196.3354 2814.5364 0.0000 0.0000 51862.9199 -109445.1805 298.0569 -161308.1004 -109079.2885 298.5971 126.5499 153.3030 762207.1445 -20.0201 -19.9700 PRESSURE: 3437400 23.133 184.305 207.441 184.304 -427.772 -52.6526 207.441 -52.6521 -333.534 GPRESSURE: 3437400 77.0756 161.593 151.853 175.069 -421.74 -87.8713 270.924 -25.7276 -332.964 PRESSAVG: 3437400 11.9969 59.5279 24.7935 59.5278 51.1502 36.3485 24.7935 36.3486 3.75229 GPRESSAVG: 3437400 11.2598 57.8924 25.1561 60.8724 49.8184 35.6655 25.1986 36.4613 5.50013 TIMING: 3437400 CPU: 10860.7, 0.00313991/step Wall: 10860.7, 0.00313991/step, 1.3629 hours remaining, 235.210938 MB of memory in use. ENERGY: 3437400 4046.1053 20465.5516 14458.6485 258.1567 -203080.5220 2457.6240 0.0000 0.0000 51854.6236 -109539.8122 298.0092 -161394.4358 -109178.7670 299.0757 -246.0579 -225.8763 762356.7543 22.2998 22.1928 PRESSURE: 3437600 278.824 244.4 -165.8 244.4 -107.364 433.561 -165.8 433.56 90.1294 GPRESSURE: 3437600 294.206 297.062 -210.824 210.36 -94.7925 479.33 -184.765 273.361 132.35 PRESSAVG: 3437600 -13.257 -9.18151 6.03729 -9.18146 23.005 -25.3148 6.03732 -25.3148 3.03833 GPRESSAVG: 3437600 -13.3054 -9.70985 5.15243 -10.248 22.6395 -23.8697 6.57441 -25.4393 3.41445 TIMING: 3437600 CPU: 10861.3, 0.003148/step Wall: 10861.3, 0.003148/step, 1.36623 hours remaining, 235.210938 MB of memory in use. ENERGY: 3437600 3983.3996 20620.5562 14469.4848 234.1692 -203525.8979 2698.2950 0.0000 0.0000 51887.5025 -109632.4907 298.1982 -161519.9932 -109280.2644 298.7626 87.1965 110.5879 761157.6687 4.2621 4.2495 PRESSURE: 3437800 -453.129 -209.024 -144.963 -209.024 -459.209 -152.673 -144.964 -152.673 -393.724 GPRESSURE: 3437800 -442.617 -176.644 -165.911 -112.068 -438.256 -65.3697 -195.434 -140.704 -345.759 PRESSAVG: 3437800 -33.5883 7.22621 35.39 7.22623 -9.99898 -1.28653 35.39 -1.28657 8.62581 GPRESSAVG: 3437800 -33.8544 5.68303 35.9268 7.72917 -8.68185 -1.3043 34.0977 1.03536 7.39762 TIMING: 3437800 CPU: 10862, 0.00313049/step Wall: 10862, 0.00313049/step, 1.35846 hours remaining, 235.210938 MB of memory in use. ENERGY: 3437800 4046.1628 20599.9041 14463.1270 240.0004 -202890.5174 2121.3990 0.0000 0.0000 51783.2068 -109636.7174 297.5988 -161419.9242 -109285.7388 298.6480 -435.3541 -408.8773 762664.6573 -11.6538 -11.7129 PRESSURE: 3438000 -326.808 -46.0442 59.8028 -46.0446 182.977 213.553 59.8036 213.553 -406.265 GPRESSURE: 3438000 -348.965 41.119 50.7095 36.4066 198.834 267.795 85.0786 146.124 -345.346 PRESSAVG: 3438000 -39.434 24.8064 -38.7908 24.8064 80.7838 -6.08606 -38.7908 -6.086 -14.9056 GPRESSAVG: 3438000 -38.6239 28.5192 -38.4403 21.1638 79.323 -6.94454 -35.8945 -7.47354 -13.73 TIMING: 3438000 CPU: 10862.6, 0.00315975/step Wall: 10862.6, 0.00315975/step, 1.37098 hours remaining, 235.210938 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: 3438000 3988.6185 20445.8871 14464.9701 241.7635 -203689.1973 2566.1384 0.0000 0.0000 52092.9226 -109888.8970 299.3787 -161981.8197 -109516.1118 298.7863 -183.3652 -165.1590 760378.5421 8.8147 8.9897 PRESSURE: 3438200 -183.106 84.4276 -41.7887 84.4273 44.9875 -21.2449 -41.7875 -21.2447 -565.459 GPRESSURE: 3438200 -52.7537 -33.4772 20.1964 103.308 3.37324 -25.1714 77.4197 -99.2403 -564.465 PRESSAVG: 3438200 -79.7085 34.8125 15.4436 34.8125 55.3971 -1.80206 15.4436 -1.802 3.1418 GPRESSAVG: 3438200 -78.9272 33.4365 13.9072 37.3083 56.1139 -1.45277 13.3222 -1.73372 1.80809 TIMING: 3438200 CPU: 10863.2, 0.00313347/step Wall: 10863.2, 0.00313347/step, 1.3594 hours remaining, 235.210938 MB of memory in use. ENERGY: 3438200 3965.3434 20543.5138 14446.0393 260.4427 -203618.9923 2580.7056 0.0000 0.0000 52243.1364 -109579.8112 300.2420 -161822.9475 -109218.0934 299.0236 -234.5258 -204.6153 761087.7839 -7.0565 -7.0017 PRESSURE: 3438400 82.4482 -221.973 -17.5051 -221.973 -75.2071 -198.159 -17.5051 -198.159 94.4198 GPRESSURE: 3438400 135.169 -62.9395 18.3647 -321.33 19.6924 -224.04 -21.1767 59.0473 25.0776 PRESSAVG: 3438400 19.9313 -4.87198 14.6216 -4.87196 -12.8828 -25.2793 14.6216 -25.2794 -6.36257 GPRESSAVG: 3438400 19.6266 -2.87186 16.7162 -5.53752 -13.0753 -24.928 14.2476 -26.7004 -6.49746 TIMING: 3438400 CPU: 10863.9, 0.00314529/step Wall: 10863.9, 0.00314529/step, 1.36436 hours remaining, 235.210938 MB of memory in use. ENERGY: 3438400 3993.3276 20633.0652 14507.6773 239.4503 -203699.8366 2860.4530 0.0000 0.0000 51790.1985 -109675.6648 297.6390 -161465.8632 -109330.3180 298.7810 33.8869 59.9797 761315.1567 0.2286 0.0180 PRESSURE: 3438600 -374.02 72.7128 69.5062 72.7121 -377.545 79.8313 69.5059 79.8318 -311.597 GPRESSURE: 3438600 -354.477 98.0772 87.9211 109.133 -351.634 57.6975 -90.1849 178.219 -253.596 PRESSAVG: 3438600 -0.910839 -37.9316 4.9666 -37.9315 22.3102 -10.2848 4.96654 -10.2849 -10.4504 GPRESSAVG: 3438600 -2.31297 -38.7874 4.53604 -38.9721 22.6545 -10.3738 5.0952 -8.68368 -9.33673 TIMING: 3438600 CPU: 10864.5, 0.0031702/step Wall: 10864.5, 0.0031702/step, 1.37498 hours remaining, 235.210938 MB of memory in use. ENERGY: 3438600 4075.3652 20525.7076 14499.4084 252.1268 -203149.6608 2358.9173 0.0000 0.0000 51668.6362 -109769.4993 296.9404 -161438.1354 -109409.3429 298.7985 -354.3873 -319.9024 761474.4705 3.6497 3.6683 PRESSURE: 3438800 -348.184 -1.8833 2.89926 -1.88328 115.897 27.5881 2.89858 27.5878 -28.1043 GPRESSURE: 3438800 -271.274 -80.089 -10.4108 -59.7982 155.009 10.4606 -135.056 25.7016 -53.2457 PRESSAVG: 3438800 21.6919 13.8177 0.34121 13.8177 -5.31115 24.5969 0.341202 24.5969 4.51333 GPRESSAVG: 3438800 23.6744 13.3096 0.798614 14.9754 -5.59412 22.5124 0.479642 25.8323 3.42843 TIMING: 3438800 CPU: 10865.1, 0.00316078/step Wall: 10865.1, 0.00316078/step, 1.37072 hours remaining, 235.210938 MB of memory in use. ENERGY: 3438800 3984.9893 20498.1777 14503.8012 252.1266 -203859.4226 2724.7907 0.0000 0.0000 51999.4759 -109896.0612 298.8417 -161895.5371 -109522.7809 298.4758 -86.7968 -56.5035 760077.0166 6.9647 7.1696 PRESSURE: 3439000 253.37 87.8459 133.295 87.8462 35.5264 161.864 133.296 161.863 394.288 GPRESSURE: 3439000 279.172 42.6716 130.909 22.3905 118.03 118.108 54.7954 137.495 359.259 PRESSAVG: 3439000 -26.1304 -0.323347 24.0433 -0.323347 -13.4212 24.7938 24.0432 24.7938 13.9861 GPRESSAVG: 3439000 -27.9034 -1.69465 24.568 -1.25079 -10.8554 26.0941 23.5853 23.3708 13.0016 TIMING: 3439000 CPU: 10865.8, 0.00314753/step Wall: 10865.8, 0.00314753/step, 1.3648 hours remaining, 235.210938 MB of memory in use. ENERGY: 3439000 4020.2668 20558.1678 14429.5146 245.1888 -204078.4845 2861.2490 0.0000 0.0000 52129.5828 -109834.5148 299.5894 -161964.0976 -109466.5255 298.5350 227.7282 252.1536 758650.7157 -8.5219 -8.5857 PRESSURE: 3439200 -265.623 -155.352 -254.355 -155.352 -652.797 -190.084 -254.355 -190.085 10.8889 GPRESSURE: 3439200 -146.527 -152.263 -207.957 -183.732 -696.586 -141.465 -158.184 -93.3426 0.291787 PRESSAVG: 3439200 7.18474 -37.5539 -52.609 -37.554 -14.7604 83.4516 -52.6089 83.4517 -1.14806 GPRESSAVG: 3439200 8.2984 -36.1298 -54.308 -38.4585 -17.6847 83.7791 -51.3104 81.8824 0.117542 TIMING: 3439200 CPU: 10866.4, 0.00317499/step Wall: 10866.4, 0.00317499/step, 1.37653 hours remaining, 235.195312 MB of memory in use. ENERGY: 3439200 4001.3968 20549.2900 14439.9568 247.0471 -203388.3222 2442.9299 0.0000 0.0000 52063.9931 -109643.7084 299.2125 -161707.7015 -109293.2245 298.6213 -302.5105 -280.9403 761238.6983 -2.9079 -3.0896 PRESSURE: 3439400 160.941 52.9815 186.368 52.9815 -243.988 130.182 186.368 130.182 157.998 GPRESSURE: 3439400 342.361 1.51146 209.349 119.996 -321.237 39.7979 57.6859 237.85 134.554 PRESSAVG: 3439400 48.1239 -21.399 4.3496 -21.3989 -43.4157 32.7162 4.34959 32.7162 11.4337 GPRESSAVG: 3439400 47.8597 -22.7145 4.85392 -17.1498 -42.9566 30.117 2.91571 35.4431 10.8191 TIMING: 3439400 CPU: 10867, 0.00320673/step Wall: 10867, 0.00320673/step, 1.39012 hours remaining, 235.195312 MB of memory in use. ENERGY: 3439400 3987.4658 20424.3810 14426.1585 248.0205 -203336.0136 2571.3310 0.0000 0.0000 52344.8924 -109333.7645 300.8268 -161678.6569 -108967.1202 299.3069 24.9838 51.8927 762081.1454 5.3806 5.2408 PRESSURE: 3439600 149.959 -61.5614 -80.8714 -61.5626 129.426 -226.441 -80.8712 -226.44 -49.7443 GPRESSURE: 3439600 185.804 -149.662 -116.854 -141.366 192.642 -163.406 -63.398 -125.875 -57.1096 PRESSAVG: 3439600 6.82194 -32.4898 -36.0082 -32.4898 7.63905 22.8185 -36.0082 22.8185 -5.49805 GPRESSAVG: 3439600 6.902 -30.6477 -35.9788 -36.0475 7.37634 24.987 -35.2008 22.5248 -5.25782 TIMING: 3439600 CPU: 10867.7, 0.00318177/step Wall: 10867.7, 0.00318177/step, 1.37912 hours remaining, 235.195312 MB of memory in use. ENERGY: 3439600 3985.1181 20497.6053 14469.7279 229.1736 -203448.5128 2627.9479 0.0000 0.0000 52076.3385 -109562.6016 299.2834 -161638.9400 -109193.0715 299.6036 76.5467 107.1121 762695.7371 2.9876 3.0068 PRESSURE: 3439800 519.108 16.4493 180.647 16.4493 103.77 252.393 180.647 252.393 -14.7175 GPRESSURE: 3439800 505.141 -16.2078 205.871 -53.5879 114.449 321.844 98.1543 255.286 62.4652 PRESSAVG: 3439800 23.0802 -67.0123 27.5369 -67.0122 -54.956 42.9205 27.5369 42.9205 15.6176 GPRESSAVG: 3439800 23.2167 -69.4318 27.6164 -65.8042 -54.3212 42.9368 25.558 41.0078 15.5357 TIMING: 3439800 CPU: 10868.3, 0.00318859/step Wall: 10868.3, 0.00318859/step, 1.3819 hours remaining, 235.195312 MB of memory in use. ENERGY: 3439800 4001.4596 20614.2064 14481.4513 239.8633 -203378.3952 2628.9260 0.0000 0.0000 52020.6132 -109391.8754 298.9632 -161412.4886 -109033.7916 298.5790 202.7202 227.3518 760436.5088 -5.4194 -5.1896 PRESSURE: 3440000 244.335 144.863 38.8286 144.862 -105.034 141.133 38.8271 141.134 174.153 GPRESSURE: 3440000 240.678 177.098 29.7747 149.544 -25.1759 106.16 97.989 30.271 166.122 PRESSAVG: 3440000 36.4502 -37.1864 -11.0746 -37.1864 -3.7018 37.6133 -11.0746 37.6133 -12.8012 GPRESSAVG: 3440000 35.8438 -34.1869 -11.2981 -38.0565 -4.56341 38.9646 -8.19168 35.6393 -10.9956 TIMING: 3440000 CPU: 10868.9, 0.00317941/step Wall: 10868.9, 0.00317941/step, 1.37775 hours remaining, 235.195312 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: 3440000 3950.0946 20577.7898 14459.7242 230.1853 -203359.0723 2635.2333 0.0000 0.0000 52169.4563 -109336.5889 299.8186 -161506.0452 -108976.7035 299.4352 104.4843 127.2080 759933.9397 6.6491 6.7616 PRESSURE: 3440200 -488.548 -120.541 33.3016 -120.541 152.738 -59.1843 33.3011 -59.1855 -748.841 GPRESSURE: 3440200 -355.15 -30.8128 -81.8562 -102.052 83.3474 -29.6694 43.5737 -35.097 -749.736 PRESSAVG: 3440200 -15.2267 31.6402 1.93314 31.6401 51.709 -13.7436 1.9331 -13.7436 -3.81123 GPRESSAVG: 3440200 -14.9575 31.1619 -0.173012 31.838 53.4934 -15.4189 -0.221168 -12.4875 -5.69333 TIMING: 3440200 CPU: 10869.6, 0.00317046/step Wall: 10869.6, 0.00317046/step, 1.37369 hours remaining, 235.195312 MB of memory in use. ENERGY: 3440200 4154.5860 20500.1056 14442.5806 232.1685 -203271.3703 2390.4473 0.0000 0.0000 52129.0357 -109422.4466 299.5863 -161551.4823 -109067.0347 300.0177 -361.5503 -340.5128 761702.8279 10.8904 10.9475 LDB: ============= START OF LOAD BALANCING ============== 10882.1 LDB: ============== END OF LOAD BALANCING =============== 10882.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10882.1 LDB: ============= START OF LOAD BALANCING ============== 10882.4 LDB: Largest compute 7073 load 0.032077 is 16.4% of average load 0.195549 LDB: Average compute 0.004350 is 2.2% of average load 0.195549 LDB: TIME 10882.4 LOAD: AVG 0.195549 MAX 0.215599 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.98 MB LDB: TIME 10882.4 LOAD: AVG 0.195549 MAX 0.215599 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.98 MB LDB: TIME 10882.4 LOAD: AVG 0.195549 MAX 0.215599 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.98 MB LDB: ============== END OF LOAD BALANCING =============== 10882.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10882.4 PRESSURE: 3440400 346.169 82.9593 -71.7947 82.9597 -29.4017 -61.3851 -71.7952 -61.385 62.7976 GPRESSURE: 3440400 384.213 169.232 -59.6128 80.3379 66.1219 62.592 -144.413 -172.777 5.77471 PRESSAVG: 3440400 -34.1725 20.0276 -11.1964 20.0276 -11.7879 -18.8053 -11.1965 -18.8053 7.08019 GPRESSAVG: 3440400 -34.0091 20.6117 -8.46001 21.0001 -12.7887 -19.1858 -12.1865 -17.344 7.63151 TIMING: 3440400 CPU: 10870.2, 0.00323149/step Wall: 10870.2, 0.00323149/step, 1.39996 hours remaining, 235.449219 MB of memory in use. ENERGY: 3440400 3911.4877 20329.5561 14521.1202 242.2301 -203429.9788 2648.8883 0.0000 0.0000 52090.4729 -109686.2235 299.3647 -161776.6964 -109316.1457 299.2257 126.5217 152.0365 761181.9164 -12.9601 -13.0554 PRESSURE: 3440600 -164.232 -361.243 36.8123 -361.244 79.9175 -22.9603 36.8129 -22.9596 -304.964 GPRESSURE: 3440600 -111.368 -296.817 48.5863 -259.339 97.9143 -38.3165 -44.2852 206.014 -303.663 PRESSAVG: 3440600 23.8876 -17.568 -48.7279 -17.568 -19.0489 -0.938262 -48.728 -0.938255 -7.07038 GPRESSAVG: 3440600 23.6434 -18.5665 -48.4164 -17.4052 -18.9981 -1.82472 -45.7093 1.57181 -6.78373 TIMING: 3440600 CPU: 10870.9, 0.00316799/step Wall: 10870.9, 0.00316799/step, 1.37227 hours remaining, 235.449219 MB of memory in use. ENERGY: 3440600 4049.0865 20453.4152 14495.7498 247.7077 -203721.1296 2738.1560 0.0000 0.0000 52199.9677 -109537.0468 299.9939 -161737.0145 -109175.3056 299.7010 -129.7595 -105.7055 760802.4207 -0.7439 -0.7128 PRESSURE: 3440800 97.8322 -138.435 -30.7646 -138.436 -11.3943 -61.6443 -30.7651 -61.6441 8.84428 GPRESSURE: 3440800 120.62 -202.007 -57.048 -214.457 85.9289 -45.5246 80.3922 -115.356 -16.2478 PRESSAVG: 3440800 -43.5303 -45.5188 3.04197 -45.5188 73.5588 -42.5918 3.04198 -42.5918 -3.76388 GPRESSAVG: 3440800 -42.7484 -45.6279 2.78349 -44.8422 73.2254 -42.2237 1.57892 -45.0698 -4.16168 TIMING: 3440800 CPU: 10871.5, 0.00318399/step Wall: 10871.5, 0.00318399/step, 1.37902 hours remaining, 235.816406 MB of memory in use. ENERGY: 3440800 3980.7254 20599.2574 14523.4187 247.4487 -203316.9061 2648.1654 0.0000 0.0000 51981.5735 -109336.3170 298.7388 -161317.8906 -108969.4044 299.4251 31.7607 63.4337 761930.6489 8.7549 8.7718 PRESSURE: 3441000 -148.233 200.498 81.6882 200.498 136.96 147.663 81.6871 147.663 312.003 GPRESSURE: 3441000 33.2854 164.861 -22.4917 193.353 89.8809 206.98 108.522 163.775 255.403 PRESSAVG: 3441000 -52.7713 -37.459 -9.4625 -37.459 37.9857 -12.1765 -9.46248 -12.1765 -2.95479 GPRESSAVG: 3441000 -53.2872 -37.2558 -9.57367 -36.8159 37.4057 -12.8274 -10.1703 -11.6552 -2.53644 TIMING: 3441000 CPU: 10872.1, 0.0031547/step Wall: 10872.1, 0.0031547/step, 1.36616 hours remaining, 235.816406 MB of memory in use. ENERGY: 3441000 4018.9195 20416.5811 14473.1820 239.0743 -202797.3535 2464.9212 0.0000 0.0000 52134.0550 -109050.6204 299.6151 -161184.6754 -108681.0537 299.4451 100.2435 126.1897 761703.7279 -5.9134 -6.1393 PRESSURE: 3441200 -165.129 91.1542 -161.808 91.155 162.866 155.99 -161.808 155.99 319.958 GPRESSURE: 3441200 -113.783 61.6941 -204.776 208.432 113.984 213.678 -221.137 205.941 403.052 PRESSAVG: 3441200 -8.70297 -27.2743 -62.1921 -27.2744 40.1091 -3.10202 -62.1921 -3.10192 12.0458 GPRESSAVG: 3441200 -7.74524 -27.2665 -62.845 -28.9653 40.1482 -2.98156 -61.3265 -4.36268 11.0806 TIMING: 3441200 CPU: 10872.8, 0.00319564/step Wall: 10872.8, 0.00319564/step, 1.38371 hours remaining, 235.816406 MB of memory in use. ENERGY: 3441200 3939.5615 20583.5984 14455.8144 229.9076 -202570.1527 2364.5294 0.0000 0.0000 51998.5821 -108998.1593 298.8366 -160996.7414 -108637.4488 299.8106 105.8984 134.4177 761280.2326 14.4840 14.4945 PRESSURE: 3441400 253.398 19.8118 185.143 19.8121 143.523 -47.5946 185.142 -47.5948 339.136 GPRESSURE: 3441400 266.158 107.223 226.301 13.7966 155.376 -15.2588 177.164 -58.7901 393.79 PRESSAVG: 3441400 18.9246 -19.5836 1.33713 -19.5835 13.0517 1.89541 1.33715 1.89542 -7.70844 GPRESSAVG: 3441400 18.2013 -20.8146 1.98459 -18.5515 13.2169 4.53228 0.709611 1.65324 -6.9018 TIMING: 3441400 CPU: 10873.4, 0.00323097/step Wall: 10873.4, 0.00323097/step, 1.39883 hours remaining, 235.921875 MB of memory in use. ENERGY: 3441400 3925.9813 20410.1946 14464.5707 237.7330 -203419.8316 2684.5799 0.0000 0.0000 52497.9132 -109198.8589 301.7062 -161696.7721 -108830.9226 300.0772 245.3523 271.7746 759736.6808 8.0893 8.1721 PRESSURE: 3441600 124.187 136.339 -35.6346 136.339 238.504 -215.406 -35.6341 -215.407 -214.796 GPRESSURE: 3441600 108.448 88.1764 17.9519 -29.879 382.757 -327.603 98.2722 -68.6376 -284.845 PRESSAVG: 3441600 13.1193 -8.83738 -31.0242 -8.83741 -0.482365 -19.3078 -31.0241 -19.3079 -11.972 GPRESSAVG: 3441600 12.7908 -8.32117 -31.7551 -9.22509 0.592197 -22.4684 -30.2662 -16.7592 -13.1328 TIMING: 3441600 CPU: 10874.1, 0.00320515/step Wall: 10874.1, 0.00320515/step, 1.38748 hours remaining, 235.921875 MB of memory in use. ENERGY: 3441600 3963.5036 20602.2830 14420.8379 247.4566 -203136.3915 2400.0738 0.0000 0.0000 52148.2457 -109353.9910 299.6967 -161502.2367 -108993.3559 299.2824 49.2985 68.7868 759670.2443 0.2217 0.0834 PRESSURE: 3441800 357.469 -54.2652 -115.632 -54.2655 117.156 155.491 -115.632 155.491 404.379 GPRESSURE: 3441800 368.694 21.2428 -172.653 -22.3395 160.565 163.756 -129.734 100.935 426.774 PRESSAVG: 3441800 8.06049 47.9681 -20.9448 47.968 -23.6252 -58.7652 -20.9448 -58.7652 16.3183 GPRESSAVG: 3441800 8.00557 45.9731 -22.0231 49.2368 -24.4294 -56.4419 -21.0347 -61.049 16.5848 TIMING: 3441800 CPU: 10874.7, 0.00321005/step Wall: 10874.7, 0.00321005/step, 1.38942 hours remaining, 235.921875 MB of memory in use. ENERGY: 3441800 3934.3259 20521.4365 14436.3434 263.9478 -203209.1975 2656.5512 0.0000 0.0000 52060.9149 -109335.6780 299.1948 -161396.5929 -108978.6687 299.8977 293.0014 318.6776 760594.1760 0.2512 0.0536 PRESSURE: 3442000 -291.939 -84.1788 -117.044 -84.1784 -253.46 103.508 -117.045 103.508 -217.835 GPRESSURE: 3442000 -170.875 -147.94 -143.867 -51.5661 -215.713 153.686 -80.3879 101.977 -275.472 PRESSAVG: 3442000 -28.056 10.5368 1.99739 10.5368 -23.0208 -33.3201 1.99732 -33.3201 -1.10746 GPRESSAVG: 3442000 -27.9343 14.3399 3.32097 9.3402 -22.5598 -34.1005 0.57667 -30.2849 -1.41577 TIMING: 3442000 CPU: 10875.3, 0.00320906/step Wall: 10875.3, 0.00320906/step, 1.38881 hours remaining, 235.921875 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: 3442000 4105.9597 20537.6305 14440.8193 241.3662 -202973.8726 2262.2597 0.0000 0.0000 52046.7833 -109339.0538 299.1136 -161385.8371 -108983.0442 299.3110 -254.4115 -220.6870 760866.3915 -17.3947 -17.3033 PRESSURE: 3442200 -37.1063 -133.704 18.3483 -133.705 -35.945 112.477 18.3482 112.477 429.673 GPRESSURE: 3442200 -26.1854 -74.1274 -8.72854 -142.235 3.87495 166.034 -25.2751 81.2491 458.943 PRESSAVG: 3442200 14.4091 -19.4343 -13.4686 -19.4343 -77.659 -24.0607 -13.4686 -24.0608 -12.8536 GPRESSAVG: 3442200 15.077 -20.1136 -13.9599 -17.8145 -78.909 -23.5001 -12.1237 -26.4606 -13.2163 TIMING: 3442200 CPU: 10876, 0.00323484/step Wall: 10876, 0.00323484/step, 1.39979 hours remaining, 235.921875 MB of memory in use. ENERGY: 3442200 3966.3154 20400.2115 14461.9542 263.6647 -203532.2156 2864.5792 0.0000 0.0000 52174.8780 -109400.6127 299.8497 -161575.4907 -109032.6125 299.4222 118.8739 145.5440 761634.0860 -25.3678 -25.6828 PRESSURE: 3442400 -324.575 130.147 -69.5755 130.148 -47.6774 13.4639 -69.5753 13.4642 -219.519 GPRESSURE: 3442400 -296.175 46.7587 -35.7568 205.107 -20.7 47.5085 -86.9517 51.7659 -188.478 PRESSAVG: 3442400 37.7672 2.02971 -27.6908 2.02971 -9.01464 -17.6464 -27.6908 -17.6464 16.1546 GPRESSAVG: 3442400 37.3815 0.556995 -26.8529 1.81842 -9.97082 -18.5985 -28.6517 -14.661 17.1794 TIMING: 3442400 CPU: 10876.6, 0.00320527/step Wall: 10876.6, 0.00320527/step, 1.38681 hours remaining, 235.921875 MB of memory in use. ENERGY: 3442400 3957.1664 20466.5241 14503.4124 254.7606 -203435.4082 2667.0843 0.0000 0.0000 52122.6060 -109463.8543 299.5493 -161586.4603 -109097.1534 299.6550 -197.2573 -168.4511 760374.6329 14.9690 14.8634 PRESSURE: 3442600 63.6855 -53.7501 -51.858 -53.7505 -90.5686 -23.8997 -51.8587 -23.8996 -228.73 GPRESSURE: 3442600 98.0269 17.6151 -80.2919 61.3582 -108.857 -17.3237 -25.4448 -73.9497 -182.283 PRESSAVG: 3442600 -9.49371 -62.9616 -13.8003 -62.9616 5.41404 24.5052 -13.8003 24.5052 -12.157 GPRESSAVG: 3442600 -9.1586 -62.5451 -14.9353 -62.2464 6.61704 25.2248 -13.1323 22.8363 -13.0177 TIMING: 3442600 CPU: 10877.3, 0.00319393/step Wall: 10877.3, 0.00319393/step, 1.38173 hours remaining, 235.921875 MB of memory in use. ENERGY: 3442600 4044.8698 20465.3338 14437.2595 267.0713 -203494.3926 2672.1571 0.0000 0.0000 52224.7972 -109382.9039 300.1366 -161607.7012 -109018.5837 299.1944 -85.2043 -64.3709 760565.6180 -5.4122 -5.1864 PRESSURE: 3442800 109.935 36.0484 247.656 36.0475 25.8508 -105.04 247.656 -105.04 207.815 GPRESSURE: 3442800 82.8708 3.22782 260.358 10.2783 148.625 -145.289 175.978 -57.2892 162.139 PRESSAVG: 3442800 -75.2056 3.33761 21.0943 3.33766 53.273 9.27315 21.0942 9.27315 7.15487 GPRESSAVG: 3442800 -74.4985 2.15414 20.4253 3.69809 51.4378 8.45056 21.8404 8.41505 7.78441 TIMING: 3442800 CPU: 10877.9, 0.00315098/step Wall: 10877.9, 0.00315098/step, 1.36297 hours remaining, 235.921875 MB of memory in use. ENERGY: 3442800 4039.6516 20529.2625 14512.3483 246.7377 -203445.3098 2608.1247 0.0000 0.0000 52008.8117 -109500.3733 298.8954 -161509.1850 -109151.4155 299.7297 114.5338 131.2116 759154.2630 -4.9259 -5.0921 PRESSURE: 3443000 -557.506 10.6844 301.589 10.6833 140.405 106.567 301.589 106.568 198.041 GPRESSURE: 3443000 -454.982 -94.4293 273.394 16.1099 126.424 155.7 245.907 34.8703 181.428 PRESSAVG: 3443000 -44.5899 -35.0957 42.7195 -35.0958 -6.2544 19.2756 42.7194 19.2756 0.0735989 GPRESSAVG: 3443000 -45.889 -33.3003 42.5039 -37.751 -4.7878 20.3257 43.3688 19.9027 -0.0970138 TIMING: 3443000 CPU: 10878.5, 0.00317405/step Wall: 10878.5, 0.00317405/step, 1.37278 hours remaining, 235.921875 MB of memory in use. ENERGY: 3443000 3970.5771 20695.2399 14517.3753 239.4172 -203461.4695 2662.0475 0.0000 0.0000 52096.1729 -109280.6396 299.3974 -161376.8125 -108912.3068 299.7787 -73.0198 -49.0432 761109.9981 -16.9236 -16.9246 PRESSURE: 3443200 -75.4455 20.147 -214.365 20.1471 -127.963 86.1307 -214.365 86.1307 -25.7518 GPRESSURE: 3443200 59.2294 202.23 -289.285 -1.26115 -118.298 72.7301 -18.3147 -69.9872 -84.7615 PRESSAVG: 3443200 -12.5037 -16.5378 -8.98402 -16.5379 -30.2584 31.7079 -8.98397 31.7078 -1.6749 GPRESSAVG: 3443200 -10.8402 -17.3347 -8.56996 -16.8797 -30.9133 30.0343 -9.70957 32.4086 -2.76138 TIMING: 3443200 CPU: 10879.2, 0.00320476/step Wall: 10879.2, 0.00320476/step, 1.38588 hours remaining, 235.921875 MB of memory in use. ENERGY: 3443200 3987.1892 20533.2276 14561.7648 244.0170 -202974.6286 2292.5199 0.0000 0.0000 52163.8075 -109192.1026 299.7861 -161355.9102 -108827.3483 299.8920 -76.3868 -47.9433 760599.7961 -14.8123 -14.8383 PRESSURE: 3443400 -358.828 116.356 105.026 116.356 -39.5128 117.556 105.026 117.555 -131.327 GPRESSURE: 3443400 -333.078 94.4832 -0.661711 57.0619 -58.1799 94.7185 150.072 169.349 -55.5605 PRESSAVG: 3443400 21.9765 -56.2523 -28.1126 -56.2524 -4.20024 -9.01877 -28.1125 -9.01873 -14.7123 GPRESSAVG: 3443400 21.3401 -55.6754 -26.7455 -54.9969 -3.84769 -7.03481 -28.364 -11.9133 -14.703 TIMING: 3443400 CPU: 10879.8, 0.00322332/step Wall: 10879.8, 0.00322332/step, 1.39373 hours remaining, 235.910156 MB of memory in use. ENERGY: 3443400 3930.5375 20817.7409 14447.0246 237.1443 -203351.4559 2638.3469 0.0000 0.0000 52107.3832 -109173.2784 299.4618 -161280.6617 -108814.8819 300.1125 -176.5559 -148.9396 761027.4859 1.0213 0.9298 PRESSURE: 3443600 -346.158 -208.23 40.661 -208.229 -251.238 105.76 40.6611 105.759 307.662 GPRESSURE: 3443600 -296.632 -248.402 149.667 -213.018 -183.978 158.095 36.3934 154.093 295.364 PRESSAVG: 3443600 -1.35599 -29.5983 -10.8437 -29.5983 1.03021 -12.6542 -10.8437 -12.6542 13.6343 GPRESSAVG: 3443600 -1.48591 -31.4318 -11.1844 -30.2816 1.64971 -12.8194 -12.9115 -11.1643 13.4189 TIMING: 3443600 CPU: 10880.5, 0.00321332/step Wall: 10880.5, 0.00321332/step, 1.38923 hours remaining, 235.921875 MB of memory in use. ENERGY: 3443600 4109.4466 20387.6489 14439.1946 249.4571 -203300.9317 2586.6636 0.0000 0.0000 52275.5582 -109252.9627 300.4284 -161528.5210 -108884.9594 299.8285 -96.5779 -61.7488 761506.1576 4.4362 4.5276 PRESSURE: 3443800 74.9428 33.2495 102.975 33.2498 270.348 -128.332 102.976 -128.333 132.871 GPRESSURE: 3443800 93.2513 38.0031 105.935 -32.3708 315.135 -201.497 167.39 -140.493 152.414 PRESSAVG: 3443800 20.0883 -81.4143 14.4227 -81.4143 -35.2591 -7.4859 14.4227 -7.4859 3.14259 GPRESSAVG: 3443800 19.2528 -79.6001 13.4291 -82.4661 -34.4606 -7.54259 17.8351 -8.53334 2.92675 TIMING: 3443800 CPU: 10881.1, 0.00319206/step Wall: 10881.1, 0.00319206/step, 1.37985 hours remaining, 235.921875 MB of memory in use. ENERGY: 3443800 3997.3643 20501.5227 14490.5293 250.6240 -203026.7554 2442.7021 0.0000 0.0000 52236.9921 -109107.0208 300.2067 -161344.0129 -108732.0757 300.0415 159.3870 186.9335 759214.6697 -4.0094 -4.0937 PRESSURE: 3444000 407.87 -215.563 -81.2811 -215.563 262.233 -311.583 -81.2817 -311.583 262.333 GPRESSURE: 3444000 435.246 -119.083 -82.5103 -243.983 305.595 -335.961 -143.449 -195.136 272.296 PRESSAVG: 3444000 2.74122 -67.8427 6.34443 -67.8427 15.9555 -60.7581 6.34444 -60.758 -7.60754 GPRESSAVG: 3444000 2.74234 -70.4451 7.37638 -67.0321 14.9401 -61.631 1.59793 -58.8757 -6.66 TIMING: 3444000 CPU: 10881.7, 0.00316629/step Wall: 10881.7, 0.00316629/step, 1.36854 hours remaining, 235.921875 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: 3444000 4047.8715 20458.2535 14497.4257 246.9567 -203434.1886 2844.5509 0.0000 0.0000 52350.4326 -108988.6977 300.8587 -161339.1303 -108628.4719 300.2068 310.8117 337.7124 761199.3026 3.6964 3.6741 PRESSURE: 3444200 -31.4092 -229.516 -25.3398 -229.517 -47.0386 44.859 -25.3399 44.859 -77.1594 GPRESSURE: 3444200 123.485 -151.941 -6.51491 -231.63 -19.0785 47.6743 57.3026 19.6202 -168.024 PRESSAVG: 3444200 52.1992 -39.4104 -2.3248 -39.4104 -58.4028 32.913 -2.3247 32.9131 18.9704 GPRESSAVG: 3444200 52.7603 -35.7844 -2.73069 -40.3772 -58.3705 32.0247 0.518019 31.3916 18.0916 TIMING: 3444200 CPU: 10882.4, 0.00318513/step Wall: 10882.4, 0.00318513/step, 1.37651 hours remaining, 235.921875 MB of memory in use. ENERGY: 3444200 3942.5696 20487.1209 14432.7680 232.8894 -201893.5943 1866.4711 0.0000 0.0000 52110.0832 -108821.6921 299.4774 -160931.7753 -108466.2946 300.7021 -51.8691 -21.2060 763115.8822 4.2556 4.1605 LDB: ============= START OF LOAD BALANCING ============== 10894.9 LDB: ============== END OF LOAD BALANCING =============== 10894.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10894.9 LDB: ============= START OF LOAD BALANCING ============== 10895.2 LDB: Largest compute 7073 load 0.032197 is 16.5% of average load 0.195507 LDB: Average compute 0.004368 is 2.2% of average load 0.195507 LDB: TIME 10895.2 LOAD: AVG 0.195507 MAX 0.216941 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 10895.2 LOAD: AVG 0.195507 MAX 0.216941 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 10895.2 LOAD: AVG 0.195507 MAX 0.216941 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 10895.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10895.2 PRESSURE: 3444400 -224.078 58.2364 180.609 58.2372 -298.202 -57.6736 180.609 -57.6727 -324.718 GPRESSURE: 3444400 -210.544 116.104 219.695 25.592 -261.129 80.6115 145.624 10.9031 -295.472 PRESSAVG: 3444400 -39.7287 -53.3175 -24.5716 -53.3174 28.6081 30.4565 -24.5716 30.4565 -7.44319 GPRESSAVG: 3444400 -40.8175 -56.5438 -24.7575 -52.1782 28.6908 32.4584 -23.2452 31.624 -6.7638 TIMING: 3444400 CPU: 10883, 0.00326858/step Wall: 10883, 0.00326858/step, 1.41239 hours remaining, 235.707031 MB of memory in use. ENERGY: 3444400 4053.4077 20692.5967 14387.5910 251.4947 -202910.7770 2591.8869 0.0000 0.0000 52258.9708 -108674.8292 300.3330 -160933.8000 -108314.4801 301.0340 -282.3326 -255.7148 762030.7881 -6.1879 -6.2968 PRESSURE: 3444600 -139.569 145.417 -43.0347 145.417 -287.479 76.4604 -43.0352 76.4598 246.063 GPRESSURE: 3444600 -96.5827 52.7238 -39.7436 108.625 -274.114 -22.7028 -25.0789 33.4737 269.112 PRESSAVG: 3444600 -5.88565 -49.5939 4.67892 -49.5939 11.1086 43.3482 4.67892 43.3481 -3.10278 GPRESSAVG: 3444600 -4.82453 -47.8965 4.34027 -49.2399 10.7162 42.2123 3.63695 41.6517 -3.40189 TIMING: 3444600 CPU: 10883.7, 0.00320014/step Wall: 10883.7, 0.00320013/step, 1.38264 hours remaining, 235.777344 MB of memory in use. ENERGY: 3444600 3964.2773 20473.5502 14503.1545 246.6314 -202704.0293 2425.9945 0.0000 0.0000 52215.9281 -108874.4933 300.0857 -161090.4214 -108515.6767 300.8388 -60.3284 -33.8615 762029.4899 0.7067 0.8299 PRESSURE: 3444800 -62.3892 -40.7631 30.0755 -40.7629 36.3505 -140.58 30.0765 -140.579 -229.502 GPRESSURE: 3444800 8.3098 8.43154 -0.501125 -14.6672 31.3541 -101.61 119.698 -137.504 -232.446 PRESSAVG: 3444800 28.6562 -40.6111 26.9643 -40.611 -32.7802 3.82772 26.9642 3.82778 -23.9795 GPRESSAVG: 3444800 28.5021 -40.4901 26.5831 -40.3635 -33.5674 4.08362 27.4554 3.5557 -23.4729 TIMING: 3444800 CPU: 10884.3, 0.00320502/step Wall: 10884.3, 0.00320502/step, 1.38457 hours remaining, 235.777344 MB of memory in use. ENERGY: 3444800 4027.2799 20539.6577 14498.8428 249.0153 -203058.4966 2588.3261 0.0000 0.0000 52316.6235 -108838.7512 300.6644 -161155.3748 -108481.5458 300.2873 -85.1801 -64.2608 761959.6933 -9.3679 -9.5127 PRESSURE: 3445000 -259.173 53.1546 -45.0507 53.1546 -118.378 -50.3177 -45.0499 -50.3162 -380.551 GPRESSURE: 3445000 -216.276 43.1884 -96.4364 172.778 -106.463 1.18077 -62.3365 -53.236 -354.924 PRESSAVG: 3445000 -4.99318 -34.918 31.1466 -34.918 7.78435 15.7769 31.1466 15.777 19.1163 GPRESSAVG: 3445000 -4.52961 -34.1254 31.7097 -34.3946 6.93269 16.0587 29.5085 17.4099 19.3468 TIMING: 3445000 CPU: 10884.9, 0.0031929/step Wall: 10884.9, 0.0031929/step, 1.37916 hours remaining, 235.777344 MB of memory in use. ENERGY: 3445000 4013.5360 20649.3259 14420.2985 266.9787 -202709.5181 2350.1099 0.0000 0.0000 52304.8811 -108704.3880 300.5969 -161009.2692 -108347.5582 300.5362 -252.7005 -225.8876 763986.3057 7.3025 7.2500 PRESSURE: 3445200 117.682 226.4 198.097 226.399 16.2821 -92.6716 198.097 -92.6718 160.349 GPRESSURE: 3445200 100.323 140.743 217.903 195.177 112.436 -47.4259 125.289 -65.3672 158.923 PRESSAVG: 3445200 25.4279 -5.95594 6.43653 -5.95597 -14.0073 2.5694 6.4365 2.56938 -7.42973 GPRESSAVG: 3445200 25.3305 -8.30931 5.66725 -6.94525 -14.1615 4.38068 9.44143 1.9851 -7.61036 TIMING: 3445200 CPU: 10885.6, 0.00316663/step Wall: 10885.6, 0.00316663/step, 1.36763 hours remaining, 235.777344 MB of memory in use. ENERGY: 3445200 4028.0003 20562.7886 14513.5515 236.0420 -203031.2918 2633.8281 0.0000 0.0000 52267.3457 -108789.7356 300.3812 -161057.0813 -108426.3323 300.3346 98.1044 123.8942 761007.1890 1.3303 1.1862 PRESSURE: 3445400 -173.402 -194.256 243.364 -194.257 114.644 -299.406 243.363 -299.405 -175.796 GPRESSURE: 3445400 -203.72 -141.246 271.534 -146.874 204.796 -281.852 231.373 -285.079 -160.755 PRESSAVG: 3445400 -40.79 -34.4623 0.743652 -34.4623 51.5118 28.1517 0.743646 28.1517 10.5879 GPRESSAVG: 3445400 -42.1616 -33.1325 1.38049 -34.9772 52.721 25.9865 -2.2013 27.7898 10.5785 TIMING: 3445400 CPU: 10886.2, 0.00317017/step Wall: 10886.2, 0.00317017/step, 1.36898 hours remaining, 235.777344 MB of memory in use. ENERGY: 3445400 3981.4568 20647.0592 14499.9226 254.3728 -203309.2356 2639.6779 0.0000 0.0000 52270.4574 -109016.2888 300.3990 -161286.7462 -108655.6573 300.3604 -78.1847 -53.2260 763322.2631 7.1033 7.0460 PRESSURE: 3445600 -210.381 68.3222 128.911 68.3225 -247.111 172.314 128.911 172.314 66.8785 GPRESSURE: 3445600 -166.155 -42.2527 114.801 91.1476 -201.726 186.187 189.986 132.555 86.6844 PRESSAVG: 3445600 11.2863 -10.0354 10.147 -10.0354 -31.4056 -47.447 10.1469 -47.447 10.8001 GPRESSAVG: 3445600 11.2885 -11.018 7.79851 -9.34952 -30.5381 -47.2746 12.2107 -46.5122 10.3213 TIMING: 3445600 CPU: 10886.8, 0.00321686/step Wall: 10886.8, 0.00321686/step, 1.38897 hours remaining, 235.777344 MB of memory in use. ENERGY: 3445600 3977.9488 20659.2277 14507.2926 247.9877 -202841.4179 2214.6094 0.0000 0.0000 52244.8089 -108989.5429 300.2516 -161234.3518 -108624.2024 300.2894 -130.2046 -93.7322 762253.5683 -3.1064 -2.9761 PRESSURE: 3445800 -98.6919 -163.289 70.9328 -163.29 -353.217 -210.409 70.932 -210.407 -97.9571 GPRESSURE: 3445800 -80.5639 -89.48 101.108 -176.263 -258.608 -200.977 93.8083 -119.459 -112.628 PRESSAVG: 3445800 -7.7858 -42.5201 -46.638 -42.52 -12.3899 -10.9862 -46.6381 -10.9861 13.6218 GPRESSAVG: 3445800 -8.02975 -40.5959 -43.5651 -42.9314 -12.4916 -9.0013 -45.9827 -12.3135 14.1928 TIMING: 3445800 CPU: 10887.5, 0.00321788/step Wall: 10887.5, 0.00321788/step, 1.38923 hours remaining, 235.777344 MB of memory in use. ENERGY: 3445800 4052.8786 20399.4079 14502.3688 238.2964 -203221.9105 2655.8121 0.0000 0.0000 52352.1904 -109020.9563 300.8688 -161373.1466 -108654.1796 300.0650 -183.2885 -150.6002 762013.7016 -2.1846 -2.1095 PRESSURE: 3446000 213.338 -73.7519 31.6678 -73.7516 8.62068 65.2393 31.6681 65.239 351.843 GPRESSURE: 3446000 170.486 -159.406 50.3972 -166.43 121.81 58.0051 49.434 78.2585 361.339 PRESSAVG: 3446000 -17.789 -34.3719 -29.4347 -34.3718 -25.7076 -16.724 -29.4348 -16.724 -9.30318 GPRESSAVG: 3446000 -16.332 -36.3391 -30.0772 -33.2233 -26.8553 -16.5693 -30.6844 -15.357 -9.44689 TIMING: 3446000 CPU: 10888.1, 0.00319991/step Wall: 10888.1, 0.00319991/step, 1.38129 hours remaining, 235.777344 MB of memory 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 3952.5857 20607.6654 14444.9814 242.3125 -203178.5852 2669.0909 0.0000 0.0000 52283.2733 -108978.6761 300.4727 -161261.9493 -108617.2212 300.2200 191.2675 217.8785 760286.3060 -17.5999 -17.5447 PRESSURE: 3446200 -134.371 166.193 -50.7548 166.193 296.834 131.218 -50.7552 131.22 -0.42181 GPRESSURE: 3446200 -64.6201 59.6538 -29.481 271.268 360.339 170.247 -74.6743 -17.9857 -56.6586 PRESSAVG: 3446200 4.69229 21.0126 -63.1838 21.0126 28.0824 53.1552 -63.1838 53.1553 22.0959 GPRESSAVG: 3446200 4.5218 22.7777 -63.7842 20.856 29.5776 51.9067 -62.5498 51.7242 21.1968 TIMING: 3446200 CPU: 10888.8, 0.00316328/step Wall: 10888.8, 0.00316328/step, 1.36531 hours remaining, 235.777344 MB of memory in use. ENERGY: 3446200 3979.3768 20394.3333 14416.7864 240.9742 -203178.6410 2709.5545 0.0000 0.0000 52198.3750 -109239.2407 299.9848 -161437.6158 -108875.0708 299.8976 54.0140 79.6867 760858.8589 18.2902 18.4320 PRESSURE: 3446400 -140.203 -24.7053 68.0349 -24.705 -179.636 -81.7952 68.0353 -81.7953 424.755 GPRESSURE: 3446400 -97.0117 -74.3619 21.4063 -16.9222 -136.016 -48.4913 -75.4862 -35.3282 430.954 PRESSAVG: 3446400 -25.66 -65.5325 -13.7926 -65.5325 13.7719 -18.7048 -13.7925 -18.7047 9.33312 GPRESSAVG: 3446400 -26.0268 -68.8003 -13.3199 -64.1236 12.9384 -19.6379 -15.0489 -17.8492 10.9404 TIMING: 3446400 CPU: 10889.4, 0.00316905/step Wall: 10889.4, 0.00316905/step, 1.36762 hours remaining, 235.777344 MB of memory in use. ENERGY: 3446400 3954.8641 20575.4544 14474.2798 222.7939 -202869.7077 2438.0572 0.0000 0.0000 52065.8560 -109138.4024 299.2232 -161204.2584 -108772.2051 300.0478 34.9718 65.9754 761365.6581 -0.8517 -0.7160 PRESSURE: 3446600 -42.1994 50.9885 -323.995 50.9873 -72.0505 -106.1 -323.995 -106.099 270.881 GPRESSURE: 3446600 -117.913 19.7528 -331.456 -113.545 -58.2186 -114.606 -81.4189 -64.2384 404.767 PRESSAVG: 3446600 12.5486 -66.4733 2.46797 -66.4733 11.19 4.69013 2.46794 4.69018 -1.09861 GPRESSAVG: 3446600 12.529 -62.7468 2.6675 -69.7305 11.505 5.0652 3.49764 5.31709 -1.33423 TIMING: 3446600 CPU: 10890, 0.00318502/step Wall: 10890, 0.00318502/step, 1.37434 hours remaining, 235.777344 MB of memory in use. ENERGY: 3446600 3956.8121 20580.3909 14437.9394 244.6562 -203151.4164 2576.5465 0.0000 0.0000 52143.4786 -109211.5928 299.6693 -161355.0714 -108846.1268 299.9489 52.2104 76.2118 761311.4367 7.5467 7.5666 PRESSURE: 3446800 53.2793 -40.3899 -1.05629 -40.3903 183.182 -12.8848 -1.05744 -12.8851 -135.82 GPRESSURE: 3446800 134.203 -84.935 21.7295 -107.117 172.146 27.9702 -107.528 26.4329 -119.701 PRESSAVG: 3446800 11.1418 14.3491 -24.3478 14.3491 -0.215783 -33.5538 -24.3477 -33.5539 6.6146 GPRESSAVG: 3446800 11.5057 12.9836 -24.2342 16.0218 0.268045 -33.7816 -24.5265 -33.847 5.71267 TIMING: 3446800 CPU: 10890.7, 0.00315332/step Wall: 10890.7, 0.00315332/step, 1.36048 hours remaining, 235.777344 MB of memory in use. ENERGY: 3446800 4097.7370 20461.7044 14435.1747 237.3884 -203489.0581 2980.5039 0.0000 0.0000 52003.8800 -109272.6698 298.8670 -161276.5498 -108922.6248 299.7951 33.5471 62.2158 762410.0687 5.8469 5.8288 PRESSURE: 3447000 74.4328 72.2432 24.6916 72.2443 -232.486 321.143 24.6917 321.142 130.262 GPRESSURE: 3447000 93.4817 106.006 40.9824 129.515 -176.493 374.251 -109.336 220.059 146.414 PRESSAVG: 3447000 -19.5294 -43.4845 35.565 -43.4845 24.4682 10.8684 35.565 10.8685 -6.37308 GPRESSAVG: 3447000 -19.2472 -42.1715 33.136 -45.339 24.0097 11.3635 35.0989 9.83333 -6.03034 TIMING: 3447000 CPU: 10891.3, 0.00317275/step Wall: 10891.3, 0.00317275/step, 1.36869 hours remaining, 235.777344 MB of memory in use. ENERGY: 3447000 3960.1782 20468.3031 14487.0979 251.9771 -203314.1904 2838.8660 0.0000 0.0000 52016.1089 -109291.6593 298.9373 -161307.7682 -108925.3774 299.9798 -9.2638 21.1344 762615.4064 -0.4781 -0.4226 PRESSURE: 3447200 -317.843 186.065 -276.864 186.065 -76.1809 213.012 -276.864 213.012 187.203 GPRESSURE: 3447200 -296.517 -1.88088 -252.104 284.943 -50.1532 222.965 -244.833 152.339 213.974 PRESSAVG: 3447200 31.2211 -4.66806 10.2912 -4.66803 -28.2849 26.8141 10.2912 26.8142 12.0677 GPRESSAVG: 3447200 28.9428 -5.78681 10.1023 -4.86365 -26.6765 27.7541 10.6919 25.9536 12.6837 TIMING: 3447200 CPU: 10891.9, 0.00317959/step Wall: 10891.9, 0.00317959/step, 1.37146 hours remaining, 235.777344 MB of memory in use. ENERGY: 3447200 4054.6126 20431.4094 14451.2629 248.0635 -203194.0022 2517.9355 0.0000 0.0000 52102.3036 -109388.4147 299.4327 -161490.7183 -109034.6463 299.6117 -68.9402 -44.2320 763853.6874 5.0013 4.9834 PRESSURE: 3447400 33.679 9.6681 238.657 9.66827 36.3153 58.6119 238.656 58.6118 -65.788 GPRESSURE: 3447400 136.193 77.1293 192.483 -27.3606 -14.4639 7.76301 96.9126 88.0204 -22.5765 PRESSAVG: 3447400 14.6137 6.6175 -24.5964 6.61739 -65.041 2.83139 -24.5964 2.83144 5.56203 GPRESSAVG: 3447400 17.5271 6.33576 -21.4302 8.53448 -67.3416 2.06184 -24.9396 4.03327 4.73916 TIMING: 3447400 CPU: 10892.6, 0.00317969/step Wall: 10892.6, 0.00317969/step, 1.37133 hours remaining, 235.777344 MB of memory in use. ENERGY: 3447400 4045.0400 20565.2972 14509.3272 240.5823 -203133.7786 2586.1117 0.0000 0.0000 52038.3250 -109149.0952 299.0650 -161187.4202 -108783.8957 299.8568 1.4021 33.0508 760910.4195 -14.9551 -15.0251 PRESSURE: 3447600 -106.224 54.2977 -105.479 54.2974 -273.374 60.8459 -105.479 60.8456 -307.761 GPRESSURE: 3447600 -87.8338 -56.0496 -52.905 8.84064 -243.829 155.521 -114.672 16.1802 -278.407 PRESSAVG: 3447600 3.92436 -16.4591 35.6826 -16.459 -28.6243 -33.1671 35.6826 -33.1671 10.8059 GPRESSAVG: 3447600 2.62236 -16.5861 35.0373 -16.2643 -26.9958 -33.2342 35.007 -32.5845 10.7851 TIMING: 3447600 CPU: 10893.2, 0.00321506/step Wall: 10893.2, 0.00321506/step, 1.3864 hours remaining, 235.777344 MB of memory in use. ENERGY: 3447600 4048.1944 20488.8917 14460.8154 261.6160 -202595.4033 2133.5331 0.0000 0.0000 51876.8801 -109325.4726 298.1371 -161202.3527 -108965.4753 299.4709 -229.1197 -203.3569 760617.7779 -4.6314 -4.5294 PRESSURE: 3447800 203.125 109.832 169.466 109.832 -168.723 -6.72794 169.467 -6.72772 -265.464 GPRESSURE: 3447800 285.466 54.3129 158.592 215.238 -189.405 -40.967 213.252 -88.7957 -239.869 PRESSAVG: 3447800 -3.85656 30.6449 -38.1062 30.6449 -9.74666 -13.162 -38.1062 -13.1619 10.1613 GPRESSAVG: 3447800 -4.69242 31.1357 -39.9272 31.0637 -10.612 -12.9525 -37.5191 -15.198 11.6991 TIMING: 3447800 CPU: 10893.8, 0.00314343/step Wall: 10893.8, 0.00314343/step, 1.35534 hours remaining, 235.777344 MB of memory in use. ENERGY: 3447800 3943.5790 20512.5866 14434.1132 246.2734 -203052.5407 2472.1502 0.0000 0.0000 52275.5995 -109168.2387 300.4286 -161443.8383 -108803.6669 299.9460 -77.0208 -47.9361 760805.3994 -1.1473 -1.2018 PRESSURE: 3448000 -86.8143 -117.957 -304.294 -117.957 245.223 -324.733 -304.294 -324.733 430.957 GPRESSURE: 3448000 -0.67138 -9.28072 -251.052 -232.943 291.001 -233.696 -409.057 -171.4 388.269 PRESSAVG: 3448000 -0.483153 -17.5904 -22.4138 -17.5904 -8.05558 -37.1229 -22.4138 -37.1229 12.0623 GPRESSAVG: 3448000 0.947883 -16.3591 -22.1672 -19.9552 -7.47391 -37.0403 -22.639 -37.3893 9.91795 TIMING: 3448000 CPU: 10894.5, 0.0031576/step Wall: 10894.5, 0.0031576/step, 1.36128 hours remaining, 235.777344 MB of memory 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 3972.0210 20454.0644 14503.7417 265.6255 -203504.4258 2736.8137 0.0000 0.0000 52454.0252 -109118.1342 301.4540 -161572.1595 -108756.2135 299.8892 196.4551 226.1997 761272.9976 1.1745 1.1306 PRESSURE: 3448200 -10.1317 -49.3342 -118.204 -49.3347 279.483 69.5248 -118.205 69.5251 -22.1089 GPRESSURE: 3448200 45.4389 -104.143 -69.31 1.10976 342.579 86.1256 -127.977 12.1918 -40.0591 PRESSAVG: 3448200 -8.69305 30.3139 -46.4281 30.3139 21.4133 -32.2705 -46.4281 -32.2705 0.933629 GPRESSAVG: 3448200 -8.66947 30.1393 -44.9654 32.47 21.2877 -34.5249 -46.0113 -30.8657 1.89031 TIMING: 3448200 CPU: 10895.1, 0.00316579/step Wall: 10895.1, 0.00316579/step, 1.36463 hours remaining, 235.777344 MB of memory in use. ENERGY: 3448200 3981.1590 20405.8265 14463.4530 247.9168 -203517.3445 2849.8227 0.0000 0.0000 52176.3760 -109392.7905 299.8583 -161569.1665 -109031.3814 299.3171 82.4143 115.9864 761403.2119 4.5513 4.8362 LDB: ============= START OF LOAD BALANCING ============== 10907.6 LDB: ============== END OF LOAD BALANCING =============== 10907.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10907.6 LDB: ============= START OF LOAD BALANCING ============== 10908 LDB: Largest compute 7074 load 0.032635 is 16.7% of average load 0.195565 LDB: Average compute 0.004395 is 2.2% of average load 0.195565 LDB: TIME 10908 LOAD: AVG 0.195565 MAX 0.215951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.707 MB LDB: TIME 10908 LOAD: AVG 0.195565 MAX 0.215951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.84 MB LDB: TIME 10908 LOAD: AVG 0.195565 MAX 0.215951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.84 MB LDB: ============== END OF LOAD BALANCING =============== 10908 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10908 PRESSURE: 3448400 -118.312 2.74213 -37.0642 2.74184 248.403 7.76421 -37.0641 7.76407 -93.2589 GPRESSURE: 3448400 -27.9338 -45.2621 -0.127671 16.8064 221.848 -68.6828 -23.6112 4.236 -73.102 PRESSAVG: 3448400 11.9028 8.92109 24.7632 8.92111 -41.9934 -60.1905 24.7632 -60.1904 9.17499 GPRESSAVG: 3448400 10.9247 7.42522 24.8965 8.90612 -42.2059 -59.4823 24.6845 -61.8122 10.329 TIMING: 3448400 CPU: 10895.8, 0.00325519/step Wall: 10895.8, 0.00325519/step, 1.40299 hours remaining, 237.964844 MB of memory in use. ENERGY: 3448400 4073.7170 20499.1947 14482.1709 248.7713 -203498.8034 2624.9773 0.0000 0.0000 52041.0442 -109528.9279 299.0806 -161569.9721 -109172.1152 299.2031 12.2775 40.2708 762012.1697 -6.9719 -6.9841 PRESSURE: 3448600 230.613 -80.2126 64.8757 -80.2124 -85.0793 79.0781 64.8749 79.0781 459.955 GPRESSURE: 3448600 316.888 -97.0213 157.981 -77.8348 -56.9582 32.1542 21.6449 -3.75948 427.222 PRESSAVG: 3448600 0.922003 -23.0837 31.294 -23.0837 19.5845 -10.4516 31.294 -10.4515 6.53676 GPRESSAVG: 3448600 1.69937 -21.2983 30.0956 -25.4585 19.6361 -9.83513 32.996 -10.3481 5.35738 TIMING: 3448600 CPU: 10896.4, 0.00317155/step Wall: 10896.4, 0.00317155/step, 1.36676 hours remaining, 238.035156 MB of memory in use. ENERGY: 3448600 4009.1753 20771.5413 14478.7351 256.6484 -203680.3003 2816.5317 0.0000 0.0000 51970.4003 -109377.2682 298.6746 -161347.6685 -109015.5343 299.6766 201.8297 229.0505 761282.9438 9.0144 8.8976 PRESSURE: 3448800 -267.734 -137.869 29.5129 -137.869 205.732 -130.669 29.513 -130.669 741.431 GPRESSURE: 3448800 -215.972 -116.082 65.3915 -191.66 278.28 -160.438 -60.4408 -198.447 689.538 PRESSAVG: 3448800 23.6397 -17.9156 31.5564 -17.9157 -21.5701 12.7211 31.5564 12.7212 11.3048 GPRESSAVG: 3448800 23.7238 -19.0947 32.5855 -16.8038 -21.0804 13.7849 30.2913 14.5347 11.148 TIMING: 3448800 CPU: 10897, 0.00317803/step Wall: 10897, 0.00317803/step, 1.36938 hours remaining, 238.035156 MB of memory in use. ENERGY: 3448800 3942.6794 20466.3382 14460.3882 229.6112 -203475.0562 2752.4219 0.0000 0.0000 52152.1670 -109471.4503 299.7192 -161623.6173 -109111.5966 299.5398 226.4765 250.6155 760868.1193 4.4581 4.5971 PRESSURE: 3449000 -35.0223 137.174 15.4667 137.174 -7.8934 25.4839 15.4669 25.4839 -393.043 GPRESSURE: 3449000 -15.2347 92.5477 38.7669 177.403 15.9549 22.99 8.17415 81.7484 -357.642 PRESSAVG: 3449000 8.6842 13.4982 74.315 13.4982 -6.5367 -18.1524 74.3151 -18.1525 0.644929 GPRESSAVG: 3449000 8.14537 13.5037 73.031 13.4673 -7.41385 -17.0508 73.7488 -19.9009 1.50352 TIMING: 3449000 CPU: 10897.7, 0.00319441/step Wall: 10897.7, 0.00319441/step, 1.37626 hours remaining, 238.046875 MB of memory in use. ENERGY: 3449000 3996.8859 20591.1779 14428.1334 234.1831 -204123.0284 2899.5259 0.0000 0.0000 52377.4048 -109595.7174 301.0137 -161973.1222 -109228.5962 299.6620 -145.3196 -118.9739 761033.8792 0.9308 0.7450 PRESSURE: 3449200 -219.378 161.993 -21.8856 161.993 -149.619 -123.289 -21.8865 -123.289 307.71 GPRESSURE: 3449200 -152.347 98.8995 -27.9414 275.058 -109.49 -44.5072 -120.65 -152.104 292.262 PRESSAVG: 3449200 -15.4329 11.5809 43.9652 11.5809 18.7183 -16.485 43.9652 -16.4851 10.689 GPRESSAVG: 3449200 -15.3838 10.9043 43.3342 11.8683 18.9432 -18.1182 45.9856 -15.992 10.1854 TIMING: 3449200 CPU: 10898.3, 0.00321469/step Wall: 10898.3, 0.00321469/step, 1.38482 hours remaining, 238.046875 MB of memory in use. ENERGY: 3449200 3999.8966 20582.5620 14392.7362 241.2611 -203690.5630 2662.5565 0.0000 0.0000 52175.4251 -109636.1254 299.8529 -161811.5505 -109265.1787 299.8415 -20.4292 10.1419 760455.4567 4.6581 4.5816 PRESSURE: 3449400 66.0756 -60.228 126.291 -60.2284 41.859 86.4693 126.292 86.469 -59.8759 GPRESSURE: 3449400 95.9021 10.7876 160.092 30.4039 123.484 29.6357 58.4241 127.165 -92.1879 PRESSAVG: 3449400 -17.1144 25.2635 17.2339 25.2636 5.10874 -48.1392 17.2339 -48.1393 -10.7722 GPRESSAVG: 3449400 -16.5495 24.7339 19.7008 26.2118 4.41568 -46.7311 14.5902 -48.6321 -11.1638 TIMING: 3449400 CPU: 10898.9, 0.00318325/step Wall: 10898.9, 0.00318325/step, 1.3711 hours remaining, 238.046875 MB of memory in use. ENERGY: 3449400 4042.4326 20733.2360 14379.9995 236.5154 -203834.9642 2789.0748 0.0000 0.0000 51997.9285 -109655.7775 298.8328 -161653.7059 -109293.7350 299.4728 16.0196 42.3995 760797.1017 -7.5926 -7.7659 PRESSURE: 3449600 -169.973 92.6493 100.509 92.6489 -19.0029 -11.0779 100.508 -11.0782 144.423 GPRESSURE: 3449600 -176.134 76.4205 -7.63981 99.8621 83.1439 -143.397 72.486 111.704 123.785 PRESSAVG: 3449600 0.402347 -49.7782 33.6904 -49.7782 13.2987 -18.7895 33.6904 -18.7895 5.08379 GPRESSAVG: 3449600 -1.26238 -49.5028 32.8126 -51.6403 14.3128 -20.7391 34.6583 -19.0033 5.74596 TIMING: 3449600 CPU: 10899.6, 0.00316899/step Wall: 10899.6, 0.00316899/step, 1.36478 hours remaining, 238.046875 MB of memory in use. ENERGY: 3449600 4046.5849 20650.6765 14523.0364 256.7111 -203518.9098 2633.1361 0.0000 0.0000 51912.5348 -109496.2300 298.3421 -161408.7649 -109134.8014 299.4313 -14.8508 10.2648 760929.1831 6.2616 6.2655 PRESSURE: 3449800 -79.0915 -144.562 139.459 -144.561 326.498 -233.878 139.459 -233.878 -52.6097 GPRESSURE: 3449800 -3.82695 -102.615 50.5162 -261.552 308.251 -197.233 184.529 -199.304 -48.0329 PRESSAVG: 3449800 -62.8067 18.283 37.0136 18.283 27.9403 -5.26896 37.0137 -5.26889 -12.6387 GPRESSAVG: 3449800 -61.3264 19.1615 35.573 19.691 26.2392 -2.97737 37.285 -4.61282 -12.9665 TIMING: 3449800 CPU: 10900.2, 0.00318103/step Wall: 10900.2, 0.00318103/step, 1.36979 hours remaining, 238.046875 MB of memory in use. ENERGY: 3449800 3930.9104 20685.4443 14459.8020 244.9558 -203903.1357 2886.0018 0.0000 0.0000 52387.7321 -109308.2892 301.0730 -161696.0213 -108928.5560 299.4620 64.9324 85.4637 760402.3645 -15.8350 -16.0179 PRESSURE: 3450000 -161.918 -45.9453 47.8023 -45.9454 -75.9587 239.87 47.8025 239.869 -108.778 GPRESSURE: 3450000 -57.5708 -61.4371 83.3853 -15.7294 -111.348 194.274 129.857 283.282 -90.5779 PRESSAVG: 3450000 -75.8532 -1.21641 17.8758 -1.21645 39.8957 23.302 17.8758 23.302 7.067 GPRESSAVG: 3450000 -76.4514 -2.23892 18.4262 1.26595 39.8832 22.4522 19.3932 22.0421 8.02327 TIMING: 3450000 CPU: 10900.9, 0.00316953/step Wall: 10900.9, 0.00316953/step, 1.36466 hours remaining, 238.250000 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: 3450000 4005.0624 20376.6447 14433.8664 249.8631 -202936.6533 2353.2230 0.0000 0.0000 52255.5945 -109262.3991 300.3136 -161517.9936 -108891.0891 300.3196 -115.5516 -86.4989 761891.7863 -9.6302 -9.5150 PRESSURE: 3450200 226.25 -75.8485 -93.2304 -75.8481 -82.9814 58.971 -93.2301 58.9718 -15.0088 GPRESSURE: 3450200 341.461 -129.882 -166.759 9.48631 -49.2824 95.7847 -224.841 107.706 -86.0268 PRESSAVG: 3450200 43.6757 -8.58792 -30.6041 -8.58786 -79.3772 4.82391 -30.6041 4.82383 0.923689 GPRESSAVG: 3450200 43.807 -6.86348 -31.3681 -10.5576 -79.4659 5.57994 -30.1406 5.98467 1.06217 TIMING: 3450200 CPU: 10901.5, 0.00319527/step Wall: 10901.5, 0.00319527/step, 1.37556 hours remaining, 238.250000 MB of memory in use. ENERGY: 3450200 3984.2130 20584.9752 14405.7939 262.6320 -203001.1074 2410.4289 0.0000 0.0000 52223.8888 -109129.1756 300.1314 -161353.0644 -108760.0350 299.9338 42.7532 68.7172 761555.4371 -11.5926 -11.5323 PRESSURE: 3450400 212.633 -127.676 -28.5303 -127.677 -63.1984 -259.901 -28.5307 -259.902 -59.3612 GPRESSURE: 3450400 198.831 -93.3583 30.8043 -3.39618 -14.1458 -279.223 -27.7366 -175.369 -37.4057 PRESSAVG: 3450400 -17.0427 20.3601 -43.166 20.3601 0.475704 -70.6076 -43.1661 -70.6076 2.58726 GPRESSAVG: 3450400 -17.8248 22.2208 -41.445 20.0889 1.49602 -72.5075 -44.6583 -71.0461 1.98615 TIMING: 3450400 CPU: 10902.1, 0.00320298/step Wall: 10902.1, 0.00320299/step, 1.37871 hours remaining, 238.250000 MB of memory in use. ENERGY: 3450400 3948.8592 20503.0528 14439.5975 246.0267 -203047.7821 2452.6734 0.0000 0.0000 52144.7727 -109312.7999 299.6767 -161457.5726 -108938.7928 299.8824 30.0245 49.0932 762300.6605 -4.6599 -4.7809 PRESSURE: 3450600 -251.218 123.594 -74.4947 123.593 -155.891 -201.658 -74.4942 -201.658 205.725 GPRESSURE: 3450600 -294.941 178.193 -128.016 123.937 -23.0945 -135.701 5.94799 -51.5768 217.397 PRESSAVG: 3450600 -15.3904 -26.0486 12.988 -26.0486 -4.33978 0.685847 12.988 0.685867 -7.49945 GPRESSAVG: 3450600 -15.1311 -27.3266 12.6449 -24.2478 -5.01851 3.18934 14.1493 0.737112 -7.16167 TIMING: 3450600 CPU: 10902.8, 0.00318244/step Wall: 10902.8, 0.00318244/step, 1.36969 hours remaining, 238.250000 MB of memory in use. ENERGY: 3450600 4015.2571 20504.4531 14382.8661 245.1345 -203239.5660 2397.3879 0.0000 0.0000 52336.0429 -109358.4245 300.7760 -161694.4674 -109001.1181 299.1517 -67.1282 -33.5461 760410.2655 -9.0765 -9.1037 PRESSURE: 3450800 22.8787 -95.7707 -330.196 -95.7713 14.98 -77.3858 -330.195 -77.3848 -482.344 GPRESSURE: 3450800 33.523 -96.7958 -273.306 -168.483 31.5286 -202.478 -208.725 -67.5263 -417.19 PRESSAVG: 3450800 -83.8226 -79.5515 19.8171 -79.5515 24.0253 0.394184 19.8171 0.394148 -27.2946 GPRESSAVG: 3450800 -81.9597 -82.5223 19.5889 -79.8045 23.1918 -0.50906 19.5167 1.3053 -27.5717 TIMING: 3450800 CPU: 10903.4, 0.00315608/step Wall: 10903.4, 0.00315608/step, 1.35817 hours remaining, 238.250000 MB of memory in use. ENERGY: 3450800 4020.5874 20405.0144 14469.1200 238.9796 -202753.1406 2331.6963 0.0000 0.0000 52180.1194 -109107.6235 299.8799 -161287.7430 -108753.2590 300.1582 -148.1617 -117.3795 760518.5328 -29.0306 -28.7799 PRESSURE: 3451000 -431.726 -112.987 -24.4898 -112.987 -236.65 105.504 -24.4891 105.505 -248.792 GPRESSURE: 3451000 -416.348 -50.9065 12.4755 -124.117 -135.77 73.0454 -95.1231 104.705 -258.674 PRESSAVG: 3451000 -66.5425 -18.9534 4.16353 -18.9534 75.7402 -14.6907 4.16348 -14.6906 10.0741 GPRESSAVG: 3451000 -68.2077 -15.2651 3.64382 -20.3789 77.5701 -14.5804 4.37112 -15.9482 10.1645 TIMING: 3451000 CPU: 10904, 0.00315568/step Wall: 10904, 0.00315568/step, 1.35782 hours remaining, 238.250000 MB of memory in use. ENERGY: 3451000 4054.2729 20471.4961 14400.2942 235.3901 -202834.2180 2376.6796 0.0000 0.0000 52061.7267 -109234.3585 299.1995 -161296.0851 -108883.4601 300.0855 -305.7227 -270.2642 762386.3477 6.4239 6.5090 PRESSURE: 3451200 -151.132 -60.4899 76.9479 -60.4896 2.8454 81.3425 76.9477 81.3424 443.318 GPRESSURE: 3451200 -80.0556 -38.3658 176.363 -81.7624 70.3726 19.711 138.999 169.597 376.746 PRESSAVG: 3451200 -38.6335 -55.8959 32.778 -55.8959 79.9457 -25.0742 32.7781 -25.0742 4.94395 GPRESSAVG: 3451200 -35.6296 -55.7927 33.033 -56.089 78.4338 -26.9212 32.8764 -23.09 3.71521 TIMING: 3451200 CPU: 10904.7, 0.00318714/step Wall: 10904.7, 0.00318714/step, 1.37118 hours remaining, 238.238281 MB of memory in use. ENERGY: 3451200 3953.1883 20502.2374 14425.6631 264.7106 -203013.1497 2652.6869 0.0000 0.0000 52344.4057 -108870.2576 300.8240 -161214.6633 -108512.9081 299.7193 98.3439 122.3544 762179.0593 15.4187 15.5065 PRESSURE: 3451400 -149.125 17.4913 243.423 17.4908 168.434 -46.0171 243.424 -46.017 38.813 GPRESSURE: 3451400 -160.452 -35.3977 201.723 -87.4851 198.571 -55.5949 118.432 15.8874 116.882 PRESSAVG: 3451400 6.12489 -67.652 -20.1003 -67.652 15.012 -20.2207 -20.1003 -20.2208 -4.11162 GPRESSAVG: 3451400 5.00823 -68.3198 -17.2581 -66.5759 15.5794 -17.4502 -21.7734 -21.0755 -2.91193 TIMING: 3451400 CPU: 10905.3, 0.00321055/step Wall: 10905.3, 0.00321055/step, 1.38107 hours remaining, 238.238281 MB of memory in use. ENERGY: 3451400 3977.5205 20476.9847 14394.8163 269.0746 -202958.4546 2551.9472 0.0000 0.0000 52158.0483 -109130.0630 299.7530 -161288.1113 -108770.5853 299.8336 19.3739 51.6668 762913.6248 5.6751 5.8919 PRESSURE: 3451600 6.77937 -25.6844 49.9474 -25.6846 341.074 31.5011 49.9466 31.5024 2.44981 GPRESSURE: 3451600 99.988 -86.0621 -16.0285 69.7198 305.396 40.9908 114.76 -90.387 28.6365 PRESSAVG: 3451600 -45.2898 -44.2888 -6.43127 -44.2888 65.8738 -21.8284 -6.43123 -21.8283 19.596 GPRESSAVG: 3451600 -45.9283 -46.6143 -11.0288 -44.5443 66.0649 -22.3233 -3.61769 -24.1416 20.2352 TIMING: 3451600 CPU: 10906, 0.00321012/step Wall: 10906, 0.00321012/step, 1.38071 hours remaining, 238.238281 MB of memory in use. ENERGY: 3451600 4002.1258 20324.2233 14434.5059 253.1193 -202954.9612 2476.1335 0.0000 0.0000 52223.9093 -109240.9441 300.1315 -161464.8534 -108882.8367 299.3882 116.7678 144.6734 760750.7997 13.3933 13.4573 PRESSURE: 3451800 -219.629 -125.731 50.5812 -125.732 0.923707 63.9218 50.5811 63.9215 -73.6541 GPRESSURE: 3451800 -217.237 -85.6735 54.9611 -117.818 50.6584 167.348 88.5249 59.2036 -72.6024 PRESSAVG: 3451800 -81.5928 -14.8341 -0.237224 -14.8341 84.6812 2.47768 -0.237198 2.47774 -13.0905 GPRESSAVG: 3451800 -82.0393 -11.398 1.69112 -14.7059 85.1559 2.0873 -2.84559 3.05429 -13.4539 TIMING: 3451800 CPU: 10906.6, 0.00318878/step Wall: 10906.6, 0.00318878/step, 1.37135 hours remaining, 238.250000 MB of memory in use. ENERGY: 3451800 3947.1205 20444.8631 14362.0375 254.4684 -203010.1909 2355.5623 0.0000 0.0000 52258.0598 -109388.0793 300.3278 -161646.1391 -109031.5414 299.3391 -97.4533 -79.7268 762744.4886 -3.3340 -3.4458 PRESSURE: 3452000 14.7223 -53.1136 -104.735 -53.1141 -76.3474 -131.358 -104.735 -131.358 -62.9132 GPRESSURE: 3452000 68.8775 -95.2762 -130.936 -214.137 -24.4386 -36.4545 -47.8493 -53.5103 -92.5902 PRESSAVG: 3452000 -62.9601 -17.6708 15.2118 -17.6708 62.6339 21.8753 15.2118 21.8752 4.41622 GPRESSAVG: 3452000 -62.1644 -18.5098 14.8089 -18.9986 62.8324 22.4546 15.9084 22.5108 3.92592 TIMING: 3452000 CPU: 10907.2, 0.00316652/step Wall: 10907.2, 0.00316652/step, 1.3616 hours remaining, 238.250000 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: 3452000 3964.4987 20542.1609 14449.6828 266.6358 -203366.5485 2721.6962 0.0000 0.0000 51873.2638 -109548.6103 298.1164 -161421.8741 -109190.1045 299.5977 -41.5128 -16.0504 762032.2565 1.3633 1.5313 PRESSURE: 3452200 -311.819 -9.32409 67.6273 -9.32348 -411.792 -55.2363 67.6267 -55.2363 -485.053 GPRESSURE: 3452200 -262.072 123.67 152.961 64.9531 -365.926 -81.6973 122.783 20.8757 -493.19 PRESSAVG: 3452200 -18.2291 32.7174 -8.52621 32.7174 12.6685 -0.545454 -8.52627 -0.545541 -32.6518 GPRESSAVG: 3452200 -19.4609 32.3622 -8.79147 34.8831 12.912 -0.650614 -11.1611 0.197507 -31.5907 TIMING: 3452200 CPU: 10907.9, 0.0031815/step Wall: 10907.9, 0.0031815/step, 1.36787 hours remaining, 238.250000 MB of memory in use. ENERGY: 3452200 4026.1732 20362.2185 14469.1099 263.1751 -203077.6585 2283.6035 0.0000 0.0000 51865.0979 -109808.2804 298.0694 -161673.3783 -109439.0822 298.9795 -402.8878 -373.7292 762577.4740 -12.7375 -12.7132 LDB: ============= START OF LOAD BALANCING ============== 10920.4 LDB: ============== END OF LOAD BALANCING =============== 10920.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10920.4 LDB: ============= START OF LOAD BALANCING ============== 10920.7 LDB: Largest compute 7073 load 0.033503 is 17.1% of average load 0.195603 LDB: Average compute 0.004391 is 2.2% of average load 0.195603 LDB: TIME 10920.7 LOAD: AVG 0.195603 MAX 0.21916 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 10920.7 LOAD: AVG 0.195603 MAX 0.21916 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 10920.7 LOAD: AVG 0.195603 MAX 0.216728 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 10920.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10920.7 PRESSURE: 3452400 117.893 92.1277 -58.1542 92.1272 0.181673 161.228 -58.154 161.229 35.3841 GPRESSURE: 3452400 151.818 175.839 -115.234 -28.2464 101.034 161.596 -53.3152 74.6147 -22.6545 PRESSAVG: 3452400 -64.8339 0.260495 14.1803 0.260474 62.1103 10.5966 14.1802 10.5966 4.54251 GPRESSAVG: 3452400 -64.0977 2.87573 13.6379 -2.36678 62.7727 9.92076 20.3294 12.2137 2.86134 TIMING: 3452400 CPU: 10908.5, 0.00325059/step Wall: 10908.5, 0.00325059/step, 1.39739 hours remaining, 235.449219 MB of memory in use. ENERGY: 3452400 3946.8751 20438.3462 14396.1266 240.7915 -203410.5734 2727.5085 0.0000 0.0000 51673.3573 -109987.5683 296.9675 -161660.9256 -109623.4905 298.5815 51.1531 76.7324 762620.1701 0.6063 0.5121 PRESSURE: 3452600 -170.018 94.7633 -91.4685 94.7648 50.9758 67.6217 -91.4677 67.6205 -202.673 GPRESSURE: 3452600 -170.266 73.6296 -44.729 -37.8066 119.076 86.92 -95.1784 92.2728 -177.649 PRESSAVG: 3452600 -16.5188 -28.1664 10.7565 -28.1664 44.6967 41.4929 10.7566 41.4929 -19.155 GPRESSAVG: 3452600 -15.669 -29.0312 13.0847 -27.4357 42.9944 41.4078 4.91083 37.999 -19.0608 TIMING: 3452600 CPU: 10909.1, 0.0031658/step Wall: 10909.1, 0.0031658/step, 1.36077 hours remaining, 235.515625 MB of memory in use. ENERGY: 3452600 3924.2135 20646.0947 14449.5733 239.3551 -203656.9144 2715.3499 0.0000 0.0000 51733.8136 -109948.5142 297.3149 -161682.3278 -109586.7927 298.2810 -107.2387 -76.2794 760734.0644 3.0076 2.7549 PRESSURE: 3452800 -92.6588 41.8972 88.9815 41.8968 -64.2153 -18.0759 88.981 -18.0751 197.472 GPRESSURE: 3452800 -96.17 117.324 100.137 73.2895 -48.765 -132.427 153.255 39.8021 265.261 PRESSAVG: 3452800 -6.43302 -36.7445 -9.13324 -36.7445 1.99412 -10.3867 -9.13332 -10.3867 9.93853 GPRESSAVG: 3452800 -8.28233 -38.9348 -11.5732 -35.0609 2.40731 -12.5394 -4.87516 -7.43096 10.9722 TIMING: 3452800 CPU: 10909.8, 0.00314599/step Wall: 10909.8, 0.00314599/step, 1.35208 hours remaining, 235.515625 MB of memory in use. ENERGY: 3452800 3956.4397 20587.1261 14474.8564 236.2116 -203597.6884 2750.9603 0.0000 0.0000 51700.7765 -109891.3179 297.1251 -161592.0944 -109532.4663 298.2848 13.5327 40.1085 761677.1286 1.8332 1.6991 PRESSURE: 3453000 333.363 -4.17735 64.2717 -4.17619 -234.202 -172.613 64.2717 -172.613 42.2372 GPRESSURE: 3453000 287.955 -144.048 43.9482 -59.3318 -158.94 -146.562 12.6115 -29.45 86.2818 PRESSAVG: 3453000 25.4581 -62.9013 24.6433 -62.9013 9.70558 -10.6162 24.6433 -10.6161 21.496 GPRESSAVG: 3453000 25.4071 -63.07 25.5332 -63.8543 10.4056 -9.6194 22.3973 -12.5516 21.1639 TIMING: 3453000 CPU: 10910.4, 0.00318113/step Wall: 10910.4, 0.00318113/step, 1.367 hours remaining, 235.515625 MB of memory in use. ENERGY: 3453000 3911.3764 20468.1505 14476.0520 237.8525 -203379.4389 2484.5464 0.0000 0.0000 51849.4766 -109951.9846 297.9797 -161801.4612 -109591.1975 298.1162 47.1329 71.7655 761777.5111 18.8865 18.9922 PRESSURE: 3453200 -293.938 -89.5256 38.7557 -89.5259 74.2394 150.991 38.7563 150.99 13.1692 GPRESSURE: 3453200 -34.3679 -62.8165 11.0927 4.8338 8.45228 100.169 62.3934 74.7613 -94.39 PRESSAVG: 3453200 88.6644 -45.6776 -32.5994 -45.6775 -66.116 -53.6232 -32.5994 -53.6232 59.9828 GPRESSAVG: 3453200 90.2134 -44.1259 -33.6694 -45.0098 -65.3411 -53.9665 -33.7431 -52.9931 57.4029 TIMING: 3453200 CPU: 10911, 0.00315535/step Wall: 10911, 0.00315535/step, 1.35575 hours remaining, 235.515625 MB of memory in use. ENERGY: 3453200 3980.2342 20338.0563 14456.0059 242.4265 -203722.8154 2811.4503 0.0000 0.0000 51889.4892 -110005.1530 298.2096 -161894.6422 -109641.0755 298.2072 -68.8430 -40.1019 762589.9943 27.5104 27.4251 PRESSURE: 3453400 149.456 -133.271 -149.298 -133.27 82.9056 55.1594 -149.297 55.1591 46.6655 GPRESSURE: 3453400 280.178 -39.0568 -150.78 -50.2903 58.0729 133.787 -73.4292 15.9422 16.806 PRESSAVG: 3453400 9.69876 -75.6986 -39.8552 -75.6986 -12.7104 13.8652 -39.8551 13.8652 -29.1749 GPRESSAVG: 3453400 9.43136 -73.7675 -40.4648 -76.9294 -14.703 14.6964 -38.0588 12.9364 -27.2442 TIMING: 3453400 CPU: 10911.7, 0.00315988/step Wall: 10911.7, 0.00315988/step, 1.35752 hours remaining, 235.515625 MB of memory in use. ENERGY: 3453400 3935.6075 20578.3516 14365.6057 230.8516 -203315.2132 2531.3139 0.0000 0.0000 51777.1057 -109896.3772 297.5637 -161673.4829 -109536.5573 298.5265 93.0091 118.3523 760803.4529 -10.7288 -10.8386 PRESSURE: 3453600 85.9413 -208.648 42.0482 -208.648 -22.9522 -48.1715 42.0487 -48.1709 82.0547 GPRESSURE: 3453600 89.2955 21.1554 -27.4339 -282.951 129.91 -5.42704 -96.0011 -4.12163 15.7818 PRESSAVG: 3453600 -22.9543 17.3712 -13.0843 17.3712 -38.6463 37.0269 -13.0843 37.0269 5.58903 GPRESSAVG: 3453600 -22.7117 15.2038 -12.252 16.8453 -38.9739 35.0747 -14.4524 36.9815 5.74754 TIMING: 3453600 CPU: 10912.3, 0.00317167/step Wall: 10912.3, 0.00317167/step, 1.36241 hours remaining, 235.515625 MB of memory in use. ENERGY: 3453600 3962.9398 20487.2086 14348.7475 239.0382 -203943.7938 2895.9548 0.0000 0.0000 52026.7140 -109983.1909 298.9982 -162009.9050 -109617.0291 298.3249 48.3480 78.3291 760999.8075 -18.6705 -18.6460 PRESSURE: 3453800 8.70194 175.817 -34.6802 175.817 298.368 -56.0353 -34.6807 -56.035 133.855 GPRESSURE: 3453800 13.6775 139.818 -191.867 167.353 311.321 -83.8796 -6.35288 34.9278 212.559 PRESSAVG: 3453800 26.427 -28.5234 26.861 -28.5235 -16.7299 -11.8694 26.861 -11.8694 -21.8846 GPRESSAVG: 3453800 25.5315 -27.192 27.5526 -28.2697 -15.5552 -10.9347 26.2348 -11.665 -22.181 TIMING: 3453800 CPU: 10912.9, 0.00317978/step Wall: 10912.9, 0.00317978/step, 1.36572 hours remaining, 235.515625 MB of memory in use. ENERGY: 3453800 3977.8146 20585.0420 14367.0820 253.2312 -203826.2703 2783.1723 0.0000 0.0000 51843.8957 -110016.0326 297.9476 -161859.9283 -109661.5880 298.6382 146.9750 179.1860 760482.8655 -4.0625 -4.0682 PRESSURE: 3454000 -79.8126 -102.439 -89.7993 -102.437 24.4177 257.421 -89.7998 257.42 75.7206 GPRESSURE: 3454000 -13.8608 -73.2633 -93.4847 -66.6914 11.3739 185.958 -51.6093 367.881 102.847 PRESSAVG: 3454000 47.7643 -80.3559 25.3654 -80.3559 -30.987 23.2856 25.3654 23.2856 26.2216 GPRESSAVG: 3454000 48.0465 -79.6292 25.8034 -80.5073 -31.1671 22.3983 24.2546 22.2685 26.5967 TIMING: 3454000 CPU: 10913.6, 0.00316919/step Wall: 10913.6, 0.00316919/step, 1.36099 hours remaining, 235.515625 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: 3454000 3904.5017 20697.6892 14427.3756 243.1436 -204073.1679 2942.6151 0.0000 0.0000 51733.2332 -110124.6094 297.3116 -161857.8427 -109774.3032 298.0346 6.7752 33.4532 758831.9300 14.3330 14.4920 PRESSURE: 3454200 175.203 -66.8573 140.727 -66.8569 260.391 -29.5473 140.728 -29.5467 182.917 GPRESSURE: 3454200 173.036 38.7714 74.8368 -204.453 283.42 39.8111 190.508 -54.6751 230.367 PRESSAVG: 3454200 38.3969 -35.1187 -14.5844 -35.1188 -7.02636 11.0064 -14.5845 11.0064 -7.60743 GPRESSAVG: 3454200 39.1943 -37.7897 -15.9255 -36.322 -8.20737 12.9185 -12.7828 11.3129 -7.77426 TIMING: 3454200 CPU: 10914.2, 0.00314279/step Wall: 10914.2, 0.00314279/step, 1.34948 hours remaining, 235.515625 MB of memory in use. ENERGY: 3454200 4017.8265 20553.5501 14373.2914 237.8033 -203638.9206 2716.1720 0.0000 0.0000 51958.4807 -109781.7967 298.6061 -161740.2773 -109424.5969 298.1510 206.1705 228.9410 762456.2926 7.9210 7.7376 PRESSURE: 3454400 -615.859 42.4743 25.2815 42.4757 -166.913 -101.934 25.2818 -101.934 -387.675 GPRESSURE: 3454400 -596.05 62.744 -20.1076 80.7843 -159.205 -113.086 -26.7667 -132.331 -335.317 PRESSAVG: 3454400 -49.9349 16.3239 -28.1783 16.3238 -2.05209 45.9815 -28.1783 45.9814 -13.6389 GPRESSAVG: 3454400 -51.3389 17.9154 -27.1777 17.9561 -0.508897 45.6514 -28.8492 46.8554 -14.1809 TIMING: 3454400 CPU: 10914.8, 0.00313959/step Wall: 10914.8, 0.00313959/step, 1.34793 hours remaining, 235.515625 MB of memory in use. ENERGY: 3454400 4006.6773 20596.9229 14344.9771 235.0894 -203008.2188 2300.8985 0.0000 0.0000 51943.9220 -109579.7317 298.5224 -161523.6537 -109225.6717 298.6567 -390.1493 -363.5238 764595.1536 -21.8753 -22.0096 PRESSURE: 3454600 -295.294 -93.1264 153.987 -93.1264 -136.168 145.756 153.987 145.755 410.462 GPRESSURE: 3454600 -253.454 -65.9092 60.9971 -13.1332 -161.534 184.33 287.997 -12.6558 477.6 PRESSAVG: 3454600 6.49695 2.67592 4.05715 2.67589 -20.216 35.2495 4.05716 35.2496 6.26137 GPRESSAVG: 3454600 7.08326 3.06903 3.07712 1.69863 -21.4526 35.2782 5.52569 34.5223 6.83011 TIMING: 3454600 CPU: 10915.5, 0.00316177/step Wall: 10915.5, 0.00316177/step, 1.35728 hours remaining, 235.515625 MB of memory in use. ENERGY: 3454600 3919.8014 20525.2545 14381.4120 261.7860 -203698.3530 2818.2464 0.0000 0.0000 51940.4319 -109851.4208 298.5024 -161791.8527 -109482.0804 298.8351 -7.0000 20.8707 761571.0758 -2.4859 -2.5131 PRESSURE: 3454800 -391.795 -71.3191 268.597 -71.3195 -165.045 -179.441 268.597 -179.442 287.789 GPRESSURE: 3454800 -293.765 -138.254 260.26 -66.5495 -82.8736 -230.541 3.55744 -98.1255 184.676 PRESSAVG: 3454800 -34.1583 -11.0057 46.2433 -11.0056 -24.352 42.3119 46.2433 42.3118 -5.99374 GPRESSAVG: 3454800 -33.924 -12.1478 47.6924 -9.6098 -23.8342 42.5777 46.3274 41.9233 -6.35972 TIMING: 3454800 CPU: 10916.1, 0.00316765/step Wall: 10916.1, 0.00316765/step, 1.35962 hours remaining, 235.515625 MB of memory in use. ENERGY: 3454800 4060.9591 20300.9620 14391.0017 238.0919 -203511.1260 2833.6135 0.0000 0.0000 51906.3074 -109780.1904 298.3063 -161686.4978 -109416.0621 298.4209 -89.6836 -63.9874 763255.9662 -21.5013 -21.3727 PRESSURE: 3455000 59.2759 35.2423 -15.4186 35.243 269.505 298.579 -15.4188 298.579 473.286 GPRESSURE: 3455000 215.188 24.5148 -104.551 172.209 231.563 163.347 -54.114 181.418 452.055 PRESSAVG: 3455000 -20.2392 -5.62475 59.8236 -5.6247 -5.66332 79.7127 59.8235 79.7127 4.21566 GPRESSAVG: 3455000 -19.6411 -4.64313 59.2868 -8.42239 -6.44595 77.9329 57.0561 78.5663 3.67077 TIMING: 3455000 CPU: 10916.7, 0.00315734/step Wall: 10916.7, 0.00315734/step, 1.35503 hours remaining, 235.515625 MB of memory in use. ENERGY: 3455000 3983.7291 20470.6460 14429.6430 247.5024 -203751.6810 2934.0805 0.0000 0.0000 52093.5142 -109592.5657 299.3821 -161686.0799 -109233.5729 299.0455 267.3556 299.6022 762503.9751 -7.2290 -7.4721 PRESSURE: 3455200 -321.1 185.009 -34.8448 185.009 -117.367 159.217 -34.8444 159.217 -345.859 GPRESSURE: 3455200 -249.375 56.2616 -2.21583 112.717 -125.931 84.0102 91.5199 203.527 -325.308 PRESSAVG: 3455200 -37.4915 25.7631 -7.97026 25.7632 -6.71209 90.9129 -7.97023 90.9128 6.16673 GPRESSAVG: 3455200 -37.7619 25.243 -7.14181 25.9674 -7.31557 92.755 -7.52909 93.1866 6.8916 TIMING: 3455200 CPU: 10917.4, 0.00316005/step Wall: 10917.4, 0.00316005/step, 1.35601 hours remaining, 235.515625 MB of memory in use. ENERGY: 3455200 3996.1425 20466.2690 14428.2244 254.6261 -202918.4763 2340.6351 0.0000 0.0000 51995.2856 -109437.2936 298.8176 -161432.5792 -109082.6270 299.0658 -261.4421 -233.5381 763390.0927 -12.6789 -12.7286 PRESSURE: 3455400 98.06 -62.3482 15.5874 -62.3481 -43.5025 -170.462 15.5875 -170.462 -180.719 GPRESSURE: 3455400 75.4948 -64.2695 1.72714 40.6039 -12.1726 -90.4721 -9.09393 -188.419 -106.656 PRESSAVG: 3455400 21.0285 -1.4653 35.6628 -1.46522 -16.3121 18.3019 35.6628 18.3018 24.468 GPRESSAVG: 3455400 20.3545 -1.72955 33.0931 -0.519631 -15.6681 16.8829 37.9982 18.0518 23.8303 TIMING: 3455400 CPU: 10918, 0.00313926/step Wall: 10918, 0.00313926/step, 1.34692 hours remaining, 235.515625 MB of memory in use. ENERGY: 3455400 3970.6638 20469.2277 14387.9168 237.6486 -203192.7877 2561.2310 0.0000 0.0000 52156.5025 -109409.5973 299.7441 -161566.0998 -109041.6818 299.3723 -42.0540 -14.4448 763408.6552 9.7282 9.5056 PRESSURE: 3455600 286.196 -56.936 4.9618 -56.9343 72.0349 69.6047 4.96252 69.6051 -84.5627 GPRESSURE: 3455600 308.156 10.1209 -6.81706 -134.228 133.14 38.6169 8.51163 69.0265 -72.8734 PRESSAVG: 3455600 20.3753 15.8068 -9.53427 15.8068 -1.99162 42.7696 -9.53422 42.7696 -2.66773 GPRESSAVG: 3455600 19.2982 15.9019 -7.22535 16.8512 -2.63097 42.4897 -12.2257 42.9659 -1.24229 TIMING: 3455600 CPU: 10918.6, 0.00318051/step Wall: 10918.6, 0.00318051/step, 1.36444 hours remaining, 235.515625 MB of memory in use. ENERGY: 3455600 4040.5664 20473.2013 14466.3077 253.1488 -203321.2572 2641.7368 0.0000 0.0000 51856.7956 -109589.5005 298.0217 -161446.2962 -109219.7301 299.0659 91.2229 122.8076 762750.0334 5.2387 5.1416 PRESSURE: 3455800 -272.793 37.3652 -152.752 37.3646 -98.5664 -27.0978 -152.752 -27.0973 -419.91 GPRESSURE: 3455800 -144.377 27.2471 -149.161 50.8583 -102.185 -81.2758 30.1974 -57.3696 -458.179 PRESSAVG: 3455800 -22.6339 -50.9121 55.6243 -50.9121 -2.17959 -24.3255 55.6243 -24.3256 6.3104 GPRESSAVG: 3455800 -20.6792 -49.7063 56.7175 -50.4101 -2.45356 -22.9043 56.5141 -26.6007 4.81579 TIMING: 3455800 CPU: 10919.3, 0.00317903/step Wall: 10919.3, 0.00317903/step, 1.36363 hours remaining, 235.515625 MB of memory in use. ENERGY: 3455800 3952.0349 20497.8117 14376.7634 249.5306 -203124.2879 2382.2551 0.0000 0.0000 52300.0223 -109365.8700 300.5689 -161665.8922 -108992.0711 298.7739 -263.7565 -234.9136 764907.0457 -6.1677 -6.1057 PRESSURE: 3456000 -478.226 -57.9728 30.6976 -57.9713 91.2205 -363.849 30.6971 -363.85 -76.5705 GPRESSURE: 3456000 -366.27 -115.882 -50.323 -91.6712 49.8186 -308.155 29.2342 -229.006 -79.1277 PRESSAVG: 3456000 8.12394 -7.19275 -12.5842 -7.19273 -47.614 -33.4792 -12.5843 -33.4792 19.1873 GPRESSAVG: 3456000 7.08039 -7.7549 -14.9406 -8.77639 -47.4335 -33.5247 -11.4059 -31.7566 19.576 TIMING: 3456000 CPU: 10919.9, 0.0031766/step Wall: 10919.9, 0.0031766/step, 1.36241 hours remaining, 235.515625 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: 3456000 3984.8897 20683.3080 14384.1809 235.5383 -202931.8446 2336.5157 0.0000 0.0000 51964.4013 -109343.0106 298.6401 -161307.4119 -108978.8155 299.0438 -154.5253 -131.8597 764333.9858 -6.7676 -6.9257 PRESSURE: 3456200 -143.528 -67.2475 54.7358 -67.2478 -136.004 67.7829 54.736 67.7822 -193.476 GPRESSURE: 3456200 -86.5447 -197.43 132.664 -136.987 -98.7018 50.717 -43.3652 73.2524 -202.011 PRESSAVG: 3456200 -79.2078 8.17484 -13.5938 8.17481 25.1969 -34.41 -13.5938 -34.41 28.649 GPRESSAVG: 3456200 -80.0461 7.53483 -11.4405 7.9316 26.1752 -33.8522 -17.1738 -36.481 28.3233 TIMING: 3456200 CPU: 10920.5, 0.00317638/step Wall: 10920.5, 0.00317638/step, 1.36214 hours remaining, 235.515625 MB of memory in use. ENERGY: 3456200 3990.5535 20572.9119 14429.4486 259.4697 -203305.4322 2705.2010 0.0000 0.0000 52044.8033 -109303.0443 299.1022 -161347.8475 -108938.5161 299.1643 -157.6693 -129.0858 762924.1440 -8.4540 -8.5158 LDB: ============= START OF LOAD BALANCING ============== 10933.1 LDB: ============== END OF LOAD BALANCING =============== 10933.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10933.1 LDB: ============= START OF LOAD BALANCING ============== 10933.4 LDB: Largest compute 7074 load 0.033191 is 17.0% of average load 0.195591 LDB: Average compute 0.004385 is 2.2% of average load 0.195591 LDB: TIME 10933.4 LOAD: AVG 0.195591 MAX 0.216638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.918 MB LDB: TIME 10933.4 LOAD: AVG 0.195591 MAX 0.216638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 10933.4 LOAD: AVG 0.195591 MAX 0.216638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 10933.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10933.4 PRESSURE: 3456400 -140.607 -93.19 -53.6956 -93.1895 -98.3239 71.8676 -53.6961 71.8675 -140.148 GPRESSURE: 3456400 -46.5057 -112.048 1.00805 -148.098 -131.463 27.0291 -48.9007 185.426 -105.715 PRESSAVG: 3456400 -6.47515 -58.2197 -31.0725 -58.2196 -3.36346 44.2855 -31.0724 44.2855 1.42924 GPRESSAVG: 3456400 -6.77572 -57.5804 -32.5527 -58.8289 -4.7025 43.6206 -29.108 47.509 3.06609 TIMING: 3456400 CPU: 10921.2, 0.00323911/step Wall: 10921.2, 0.00323911/step, 1.38886 hours remaining, 236.601562 MB of memory in use. ENERGY: 3456400 4031.4723 20533.7343 14463.7232 243.5149 -203317.6837 2687.1648 0.0000 0.0000 51979.6844 -109378.3897 298.7280 -161358.0742 -109017.3156 299.0597 -126.3599 -94.5615 762998.4430 -2.8031 -2.8040 PRESSURE: 3456600 -156.215 -247.34 -102.668 -247.34 -439.047 146.273 -102.669 146.273 -383.425 GPRESSURE: 3456600 -137.566 -196.831 -9.59117 -230.317 -390.118 113.564 -101.954 17.6043 -394.702 PRESSAVG: 3456600 31.3946 -23.9961 -15.1259 -23.9961 -31.0396 -6.64287 -15.1259 -6.64277 -10.1427 GPRESSAVG: 3456600 31.8691 -24.7395 -13.6873 -24.2102 -31.1181 -6.69082 -13.0506 -5.98045 -10.89 TIMING: 3456600 CPU: 10921.8, 0.00315861/step Wall: 10921.8, 0.00315861/step, 1.35417 hours remaining, 236.804688 MB of memory in use. ENERGY: 3456600 3922.0998 20573.0153 14478.4509 256.7505 -202875.7416 2198.3482 0.0000 0.0000 52170.7601 -109276.3169 299.8261 -161447.0770 -108912.4634 299.4408 -326.2289 -307.4619 762611.0751 -3.2625 -3.3797 PRESSURE: 3456800 -29.1708 -99.3051 -43.3381 -99.3049 -194.291 56.8243 -43.3382 56.8237 107.58 GPRESSURE: 3456800 -11.7541 6.57442 -20.892 -50.1226 -113.479 -20.0003 -157.398 109.336 96.2106 PRESSAVG: 3456800 19.397 -29.267 -35.1785 -29.267 -8.26289 -15.4434 -35.1785 -15.4434 19.3072 GPRESSAVG: 3456800 19.0138 -27.3512 -36.3511 -28.4577 -7.73094 -14.8215 -37.6867 -15.971 18.7972 TIMING: 3456800 CPU: 10922.4, 0.00315932/step Wall: 10922.4, 0.00315932/step, 1.3543 hours remaining, 236.804688 MB of memory in use. ENERGY: 3456800 3926.3863 20395.7485 14486.7971 243.2521 -203344.3214 2745.0369 0.0000 0.0000 52048.7533 -109498.3472 299.1249 -161547.1005 -109127.3651 299.5623 -38.6272 -9.6742 762527.0485 10.1471 10.0267 PRESSURE: 3457000 -24.7941 142.913 -43.1405 142.913 102.741 -45.7009 -43.1407 -45.7011 130.274 GPRESSURE: 3457000 -16.8257 54.054 22.7629 -1.95757 141.73 -101.492 -207.002 -56.1695 178.038 PRESSAVG: 3457000 37.5443 -51.7721 0.858052 -51.772 -37.7837 -36.4454 0.858051 -36.4454 23.677 GPRESSAVG: 3457000 37.1065 -51.6094 1.6321 -50.9407 -38.2269 -36.9742 -0.20139 -38.7057 24.3521 TIMING: 3457000 CPU: 10923.1, 0.00315266/step Wall: 10923.1, 0.00315266/step, 1.35127 hours remaining, 236.804688 MB of memory in use. ENERGY: 3457000 3827.7924 20513.4721 14402.9326 248.2861 -203022.9005 2609.8149 0.0000 0.0000 52085.5207 -109335.0818 299.3362 -161420.6024 -108970.9945 299.0759 69.4069 100.9808 762948.0371 7.8125 7.7439 PRESSURE: 3457200 43.6489 83.1581 18.5405 83.1583 108.75 -99.2986 18.5408 -99.2981 -2.79643 GPRESSURE: 3457200 127.311 161.792 93.0399 9.04643 158.95 -99.1585 54.374 -84.2279 -41.7213 PRESSAVG: 3457200 40.9188 -45.6845 21.8469 -45.6844 -50.0298 12.3658 21.8468 12.3659 -3.09067 GPRESSAVG: 3457200 41.8123 -45.5041 22.5923 -48.426 -49.3212 13.6764 19.865 12.0198 -4.20322 TIMING: 3457200 CPU: 10923.7, 0.00315417/step Wall: 10923.7, 0.00315417/step, 1.35174 hours remaining, 236.804688 MB of memory in use. ENERGY: 3457200 4021.0350 20504.1881 14422.7685 254.3766 -202834.5726 2694.6113 0.0000 0.0000 51870.1176 -109067.4755 298.0983 -160937.5932 -108709.4855 298.9237 49.8674 81.5133 763974.0711 -4.0672 -3.9040 PRESSURE: 3457400 -94.8051 158.955 -34.7815 158.954 50.4691 -91.9753 -34.7817 -91.9746 19.3561 GPRESSURE: 3457400 -99.0335 112.922 -11.7009 98.4007 152.124 -32.1808 107.17 20.1031 12.983 PRESSAVG: 3457400 18.0084 -8.99716 12.9034 -8.99715 28.558 -14.8466 12.9034 -14.8467 -0.457705 GPRESSAVG: 3457400 18.217 -11.114 11.3002 -7.48565 27.7861 -16.2846 16.5634 -12.1558 0.301877 TIMING: 3457400 CPU: 10924.3, 0.00316859/step Wall: 10924.3, 0.00316859/step, 1.35774 hours remaining, 236.804688 MB of memory in use. ENERGY: 3457400 3949.6982 20641.0157 14352.0214 264.4612 -203156.1653 2638.3877 0.0000 0.0000 51947.9755 -109362.6055 298.5457 -161310.5810 -109015.9740 299.8773 -8.3266 22.0245 761926.5942 15.3696 15.4350 PRESSURE: 3457600 283.523 -193.444 0.712175 -193.444 -134.124 -274.456 0.711969 -274.458 -203.527 GPRESSURE: 3457600 272.505 -98.2453 -49.5478 -130.243 -89.3151 -236.121 51.8884 -227.815 -156.697 PRESSAVG: 3457600 4.41092 -22.1058 0.268561 -22.1059 -30.935 -10.8126 0.268585 -10.8125 8.49546 GPRESSAVG: 3457600 4.5301 -20.5924 0.734794 -22.3824 -30.2379 -11.5248 -0.775056 -12.351 7.78987 TIMING: 3457600 CPU: 10925, 0.00317527/step Wall: 10925, 0.00317527/step, 1.36043 hours remaining, 236.804688 MB of memory in use. ENERGY: 3457600 3952.4244 20436.0328 14381.0093 238.7628 -203232.6499 2644.3836 0.0000 0.0000 52189.0958 -109390.9412 299.9315 -161580.0369 -109034.1933 298.9588 -18.0425 8.8309 762455.9065 -6.0095 -5.9726 PRESSURE: 3457800 -202.543 132.356 53.2118 132.356 -107.805 19.1865 53.2117 19.1881 -78.5686 GPRESSURE: 3457800 -109.945 -32.5642 78.8698 53.4043 -110.182 63.0703 -20.2762 -99.8121 -81.5958 PRESSAVG: 3457800 1.97651 -95.9399 6.81461 -95.9399 7.75212 -49.2693 6.81454 -49.2693 -7.12273 GPRESSAVG: 3457800 1.68218 -95.503 5.01288 -96.0785 7.73036 -47.8772 6.05069 -50.6626 -6.80609 TIMING: 3457800 CPU: 10925.6, 0.00316868/step Wall: 10925.6, 0.00316868/step, 1.35743 hours remaining, 236.804688 MB of memory in use. ENERGY: 3457800 4009.4000 20496.7909 14499.9994 255.8888 -203247.4425 2801.7826 0.0000 0.0000 51869.9886 -109313.5922 298.0975 -161183.5808 -108968.0349 299.0014 -129.6388 -100.5744 763046.5348 0.8686 0.8688 PRESSURE: 3458000 -223.819 -235.974 171.712 -235.974 -213.67 109.068 171.712 109.067 -51.1431 GPRESSURE: 3458000 -112.336 -250.976 146.179 -170.004 -286.415 78.1865 239.021 75.5238 -31.0772 PRESSAVG: 3458000 6.56778 4.8303 -13.5915 4.8304 -23.7242 -66.2917 -13.5916 -66.2918 10.2307 GPRESSAVG: 3458000 5.63199 3.38287 -14.029 5.01861 -23.0271 -66.217 -9.47958 -65.6816 9.89485 TIMING: 3458000 CPU: 10926.2, 0.00313539/step Wall: 10926.2, 0.00313539/step, 1.34299 hours remaining, 236.804688 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: 3458000 4067.7174 20409.4862 14478.2953 247.0283 -203237.7568 2394.0820 0.0000 0.0000 52152.1381 -109489.0094 299.7191 -161641.1475 -109120.8484 298.7705 -162.8774 -143.2761 762761.6458 -2.3086 -2.5001 PRESSURE: 3458200 -477.048 242.262 -51.3947 242.264 -178.219 -42.1942 -51.3944 -42.1939 -460.001 GPRESSURE: 3458200 -375.212 85.8342 -118.962 161.731 -264.769 33.8493 -13.1242 -141.8 -414.07 PRESSAVG: 3458200 7.68643 -6.96469 11.4067 -6.96469 4.05509 -57.2302 11.4067 -57.2303 -6.4241 GPRESSAVG: 3458200 6.87835 -5.25265 12.4345 -6.7018 4.83237 -56.7807 8.15646 -56.9453 -6.24591 TIMING: 3458200 CPU: 10926.9, 0.0031667/step Wall: 10926.9, 0.0031667/step, 1.35623 hours remaining, 236.804688 MB of memory in use. ENERGY: 3458200 3934.0927 20507.2283 14474.9174 255.7090 -202879.3787 2290.9214 0.0000 0.0000 51946.3852 -109470.1246 298.5366 -161416.5098 -109112.3372 298.7631 -371.7558 -351.3505 763119.1496 1.7725 1.8216 PRESSURE: 3458400 44.1431 -23.4494 176.909 -23.4497 -111.889 90.4721 176.909 90.4723 -502.152 GPRESSURE: 3458400 53.4021 -26.8603 86.3728 -35.5427 -31.6205 131.804 107.314 -22.1103 -504.737 PRESSAVG: 3458400 76.4255 -48.6552 8.58057 -48.6553 -22.8343 -31.7837 8.58062 -31.7837 -12.6332 GPRESSAVG: 3458400 77.6633 -50.9152 8.01325 -48.6806 -24.1471 -29.8793 7.39584 -34.0625 -11.95 TIMING: 3458400 CPU: 10927.5, 0.00317345/step Wall: 10927.5, 0.00317345/step, 1.35894 hours remaining, 236.804688 MB of memory in use. ENERGY: 3458400 3933.4214 20565.3897 14480.8426 267.4893 -203150.5315 2338.7265 0.0000 0.0000 52131.4520 -109433.2100 299.6002 -161564.6620 -109073.5372 299.2207 -189.9659 -160.9851 760497.8150 13.6527 13.8554 PRESSURE: 3458600 43.4759 44.043 -18.4621 44.0438 31.5463 88.412 -18.4624 88.412 -317.149 GPRESSURE: 3458600 110.64 100.356 8.20851 114.171 11.2097 50.4875 4.64591 134.727 -275.642 PRESSAVG: 3458600 19.8535 -50.1041 36.5381 -50.1041 -13.1341 -5.22568 36.538 -5.22571 -9.04428 GPRESSAVG: 3458600 19.9165 -50.0146 37.3017 -49.206 -12.5636 -6.25634 38.8509 -2.73433 -9.79117 TIMING: 3458600 CPU: 10928.1, 0.00315986/step Wall: 10928.1, 0.00315986/step, 1.35295 hours remaining, 236.804688 MB of memory in use. ENERGY: 3458600 3979.3175 20501.1994 14451.1466 242.7502 -203108.0718 2624.8039 0.0000 0.0000 51976.5745 -109332.2796 298.7101 -161308.8541 -108968.9079 299.0268 -80.7091 -51.2642 761260.2567 -0.7750 -0.8128 PRESSURE: 3458800 -108.072 206.094 -55.9948 206.094 -167.419 210.779 -55.9938 210.78 49.4641 GPRESSURE: 3458800 -94.8334 335.776 11.5252 41.3744 -146.225 202.476 -64.8714 24.7532 86.0302 PRESSAVG: 3458800 -51.1166 32.236 21.2347 32.236 29.1819 -9.35266 21.2347 -9.35264 7.65548 GPRESSAVG: 3458800 -51.5805 33.7761 21.2731 30.9996 28.8532 -10.7778 19.3631 -11.6151 8.56048 TIMING: 3458800 CPU: 10928.8, 0.00315893/step Wall: 10928.8, 0.00315893/step, 1.35237 hours remaining, 236.804688 MB of memory in use. ENERGY: 3458800 3963.2134 20341.6020 14468.1080 250.2036 -202822.2755 2456.4884 0.0000 0.0000 52017.1329 -109325.5272 298.9432 -161342.6602 -108963.9200 299.0619 -75.3421 -51.6762 763152.6634 -4.7597 -4.7223 PRESSURE: 3459000 115.957 -106.435 14.8602 -106.436 -256.762 -50.9841 14.8603 -50.9846 -265.497 GPRESSURE: 3459000 145.115 -83.6744 27.5685 -76.0304 -242.13 -18.7528 141.509 3.25497 -227.012 PRESSAVG: 3459000 -19.7571 -24.4559 20.1652 -24.4559 2.84118 -17.2207 20.1652 -17.2207 -5.11802 GPRESSAVG: 3459000 -21.1289 -27.0895 21.1808 -22.3811 3.13574 -15.8217 22.8342 -17.3188 -4.85712 TIMING: 3459000 CPU: 10929.4, 0.00314199/step Wall: 10929.4, 0.00314199/step, 1.34495 hours remaining, 236.804688 MB of memory in use. ENERGY: 3459000 4031.2837 20449.3236 14384.1262 216.2436 -202571.8268 2227.6136 0.0000 0.0000 52055.5278 -109207.7084 299.1638 -161263.2362 -108846.0814 299.2124 -135.4344 -108.0090 762351.3110 -7.3446 -7.6168 PRESSURE: 3459200 149.447 24.8234 -146.904 24.8228 414.661 328.409 -146.903 328.409 256.05 GPRESSURE: 3459200 233.764 49.1382 -201.202 -77.4371 382.707 295.503 -155.007 279.76 302.076 PRESSAVG: 3459200 -19.8054 22.8035 -2.31517 22.8035 -17.4545 25.1776 -2.31515 25.1776 -14.7765 GPRESSAVG: 3459200 -19.8138 23.4793 -2.68188 22.9238 -17.6479 23.0815 -6.00194 26.0092 -14.5314 TIMING: 3459200 CPU: 10930, 0.00314372/step Wall: 10930, 0.00314372/step, 1.34551 hours remaining, 236.804688 MB of memory in use. ENERGY: 3459200 3992.4823 20389.5688 14377.5133 251.1777 -203304.8819 2724.9229 0.0000 0.0000 52091.1627 -109478.0543 299.3686 -161569.2170 -109104.3803 299.2028 273.3862 306.1821 759841.0075 -17.3454 -17.3310 PRESSURE: 3459400 69.9672 -0.813056 -87.774 -0.812435 -42.2579 -8.10432 -87.7747 -8.10343 -17.3032 GPRESSURE: 3459400 146.551 -16.2548 -184.155 -1.60873 -17.9807 -110.103 -23.8623 210.617 -26.4998 PRESSAVG: 3459400 -41.4302 17.8886 3.1673 17.8886 28.1633 -8.57374 3.16726 -8.57373 12.8992 GPRESSAVG: 3459400 -40.0621 19.0102 3.47437 16.3092 27.4975 -8.85867 5.03271 -6.63436 12.1277 TIMING: 3459400 CPU: 10930.7, 0.0031758/step Wall: 10930.7, 0.0031758/step, 1.35907 hours remaining, 236.804688 MB of memory in use. ENERGY: 3459400 3979.4304 20743.2119 14392.5549 227.6813 -203120.1098 2454.6068 0.0000 0.0000 52081.2810 -109241.3434 299.3118 -161322.6245 -108888.3580 299.1796 3.4687 34.0234 761563.3887 -0.1225 -0.1456 PRESSURE: 3459600 120.538 -105.869 -144.454 -105.869 -167.596 103.622 -144.454 103.622 234.776 GPRESSURE: 3459600 102.366 -8.60472 -184.445 -195.97 -67.8402 35.7201 -93.9231 131.894 226.715 PRESSAVG: 3459600 -25.4238 -15.2984 -32.7075 -15.2984 32.5095 26.5521 -32.7076 26.5521 3.97944 GPRESSAVG: 3459600 -26.8507 -15.2116 -33.753 -14.6746 33.5868 27.9504 -32.4312 25.5461 4.66935 TIMING: 3459600 CPU: 10931.3, 0.0031801/step Wall: 10931.3, 0.0031801/step, 1.36073 hours remaining, 236.804688 MB of memory in use. ENERGY: 3459600 4013.7317 20528.7413 14378.0453 242.9142 -203317.0507 2710.1302 0.0000 0.0000 52303.9714 -109139.5167 300.5916 -161443.4881 -108778.3657 299.9413 62.5727 87.0802 762560.0173 3.6884 3.8018 PRESSURE: 3459800 -191.685 43.3383 -138.065 43.34 -224.38 76.9693 -138.065 76.9682 -176.798 GPRESSURE: 3459800 -187.202 -12.8799 -87.575 39.0511 -175.117 101.557 -118.187 -50.9435 -136.444 PRESSAVG: 3459800 -12.1825 -24.734 8.84674 -24.734 25.0446 -7.52447 8.84672 -7.52445 6.63565 GPRESSAVG: 3459800 -10.6925 -26.4879 7.80837 -24.0723 24.4619 -7.6608 7.86434 -7.20626 5.40368 TIMING: 3459800 CPU: 10931.9, 0.00317179/step Wall: 10931.9, 0.00317179/step, 1.357 hours remaining, 236.804688 MB of memory in use. ENERGY: 3459800 4073.9053 20507.4524 14445.4871 262.0101 -203206.6944 2467.9971 0.0000 0.0000 52140.4552 -109309.3871 299.6519 -161449.8422 -108952.2937 299.9200 -197.6209 -166.2540 762084.5701 6.4993 6.3910 PRESSURE: 3460000 -451.712 146.072 -158.258 146.071 86.0737 21.9797 -158.257 21.9807 -95.8066 GPRESSURE: 3460000 -460.029 179.397 -92.1099 -92.0416 159.269 96.0239 -230.944 59.6084 -82.8866 PRESSAVG: 3460000 19.3073 -32.0059 -15.1129 -32.006 3.21122 -16.6025 -15.1129 -16.6024 12.2134 GPRESSAVG: 3460000 18.5651 -32.5806 -13.3459 -33.0332 3.22417 -14.7799 -15.4348 -18.1083 12.8735 TIMING: 3460000 CPU: 10932.6, 0.003159/step Wall: 10932.6, 0.003159/step, 1.35135 hours remaining, 236.804688 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: 3460000 4004.4042 20540.7658 14419.5601 237.8100 -203552.6761 3011.3161 0.0000 0.0000 52115.1505 -109223.6695 299.5065 -161338.8200 -108864.6066 299.5859 -153.8149 -127.8822 763423.1547 11.5773 11.5543 PRESSURE: 3460200 -222.296 -40.4304 52.9034 -40.4321 33.1896 33.5531 52.9042 33.5538 -103.169 GPRESSURE: 3460200 -185.89 -29.8007 70.9582 -47.3037 70.2863 35.0133 13.6196 -96.229 -105.715 PRESSAVG: 3460200 15.8466 -15.3894 28.3072 -15.3894 6.04254 1.41814 28.3072 1.41811 -5.07335 GPRESSAVG: 3460200 16.2082 -12.6991 28.4125 -16.2625 5.1776 -0.504535 28.2181 2.18383 -4.89478 TIMING: 3460200 CPU: 10933.2, 0.00316582/step Wall: 10933.2, 0.00316582/step, 1.35409 hours remaining, 236.804688 MB of memory in use. ENERGY: 3460200 4016.4829 20677.9980 14399.4899 231.7246 -203685.3813 2932.2404 0.0000 0.0000 52094.8983 -109332.5472 299.3901 -161427.4456 -108975.9453 299.5717 -97.4251 -73.7731 761907.7087 5.6053 5.4970 LDB: ============= START OF LOAD BALANCING ============== 10945.7 LDB: ============== END OF LOAD BALANCING =============== 10945.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10945.7 LDB: ============= START OF LOAD BALANCING ============== 10946.1 LDB: Largest compute 7073 load 0.035236 is 18.0% of average load 0.195590 LDB: Average compute 0.004418 is 2.3% of average load 0.195590 LDB: TIME 10946.1 LOAD: AVG 0.19559 MAX 0.216413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 10946.1 LOAD: AVG 0.19559 MAX 0.216413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 10946.1 LOAD: AVG 0.19559 MAX 0.216413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 10946.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10946.1 PRESSURE: 3460400 -268.018 46.1565 -113.315 46.1558 -241.085 -233.112 -113.315 -233.11 -230.147 GPRESSURE: 3460400 -262.275 99.9062 -123.985 -21.5997 -206.072 -201.874 -179.127 -157.03 -180.083 PRESSAVG: 3460400 -11.0227 34.8424 -39.6292 34.8424 -4.09616 -8.5957 -39.6292 -8.59561 -15.6912 GPRESSAVG: 3460400 -11.8335 33.8587 -40.4213 33.6814 -3.3604 -9.00983 -39.4721 -8.83301 -15.4723 TIMING: 3460400 CPU: 10933.8, 0.00325039/step Wall: 10933.8, 0.00325039/step, 1.39009 hours remaining, 235.652344 MB of memory in use. ENERGY: 3460400 3998.7600 20324.4434 14468.7069 233.4112 -202909.8744 2519.3052 0.0000 0.0000 52057.4823 -109307.7654 299.1751 -161365.2477 -108947.3624 298.9324 -246.4165 -216.1434 764560.7686 -10.2700 -10.2221 PRESSURE: 3460600 109.969 7.01848 36.501 7.01806 30.5069 166.817 36.5008 166.817 80.9492 GPRESSURE: 3460600 272.747 -8.48585 132.056 -0.738085 60.6285 112.469 -20.0623 195.074 -25.4243 PRESSAVG: 3460600 17.2274 -27.458 -21.7156 -27.458 -40.3294 14.2876 -21.7156 14.2876 -1.87929 GPRESSAVG: 3460600 17.6548 -27.566 -22.2491 -24.4597 -39.8456 15.1981 -20.9829 13.0974 -2.77017 TIMING: 3460600 CPU: 10934.5, 0.00316938/step Wall: 10934.5, 0.00316938/step, 1.35526 hours remaining, 235.652344 MB of memory in use. ENERGY: 3460600 4035.2878 20540.5303 14377.1790 217.8868 -203420.9079 2974.1096 0.0000 0.0000 51948.8174 -109327.0970 298.5506 -161275.9145 -108970.7395 299.6954 73.8084 102.6505 762365.1365 -8.3271 -8.3203 PRESSURE: 3460800 101.127 -33.5978 114.035 -33.597 -6.50532 30.0071 114.035 30.0066 -295.056 GPRESSURE: 3460800 139.815 -153.799 48.2443 -68.3008 -6.33118 26.3255 57.3384 76.1056 -251.151 PRESSAVG: 3460800 30.0232 -27.2522 27.3058 -27.2522 -21.9765 -31.4785 27.3058 -31.4786 1.75653 GPRESSAVG: 3460800 29.6573 -25.4635 29.7283 -29.4259 -21.772 -32.5372 26.1871 -30.1665 1.82923 TIMING: 3460800 CPU: 10935.1, 0.00316256/step Wall: 10935.1, 0.00316256/step, 1.35217 hours remaining, 235.652344 MB of memory in use. ENERGY: 3460800 4048.5877 20469.3798 14410.8570 253.5974 -203303.0994 2695.8750 0.0000 0.0000 52057.0759 -109367.7266 299.1727 -161424.8025 -109006.3214 299.3663 -66.8114 -39.2225 762210.6732 3.2677 3.2382 PRESSURE: 3461000 214.719 53.7727 -32.246 53.7721 -131.98 194.662 -32.2465 194.662 158.956 GPRESSURE: 3461000 205.356 80.3949 -67.4949 114.811 -31.6277 170.768 -21.0334 161.743 148.299 PRESSAVG: 3461000 -24.0389 -49.5548 -4.06886 -49.5548 36.9415 26.8331 -4.0688 26.8332 -14.9697 GPRESSAVG: 3461000 -25.2482 -51.0407 -5.65484 -49.177 37.9526 27.2459 -2.91422 27.7728 -14.5421 TIMING: 3461000 CPU: 10935.7, 0.00316626/step Wall: 10935.7, 0.00316626/step, 1.35358 hours remaining, 235.652344 MB of memory in use. ENERGY: 3461000 3942.9022 20528.0044 14453.4910 246.5879 -203420.7275 2810.6621 0.0000 0.0000 52094.4111 -109344.6687 299.3873 -161439.0798 -108978.8230 299.4233 80.5650 107.3426 760991.8131 -0.6890 -0.6126 PRESSURE: 3461200 -94.9344 99.2803 -64.1454 99.2795 134.354 -234.437 -64.144 -234.438 620.819 GPRESSURE: 3461200 -6.62566 43.8049 -63.0655 87.8061 242.191 -256.892 -0.759663 29.9401 530.413 PRESSAVG: 3461200 -41.023 4.35306 23.1686 4.35311 22.5919 24.2674 23.1686 24.2674 38.3275 GPRESSAVG: 3461200 -39.7053 2.34394 23.039 4.99293 21.1927 24.8391 23.7408 25.4337 37.3932 TIMING: 3461200 CPU: 10936.4, 0.00315216/step Wall: 10936.4, 0.00315216/step, 1.34737 hours remaining, 235.652344 MB of memory in use. ENERGY: 3461200 3992.4006 20401.8211 14425.1338 236.0824 -203192.1192 2928.9915 0.0000 0.0000 51992.4006 -109215.2891 298.8010 -161207.6897 -108863.0852 299.1247 220.0796 255.3262 761596.0703 6.6321 6.2935 PRESSURE: 3461400 -264.75 132.447 116.826 132.447 376.846 50.8255 116.826 50.8262 -165.542 GPRESSURE: 3461400 -155.214 157.444 108.443 93.2215 330.231 -31.26 95.693 38.0565 -142.648 PRESSAVG: 3461400 -66.0606 38.5042 -4.16559 38.5042 25.1632 15.6199 -4.1656 15.6199 -14.6906 GPRESSAVG: 3461400 -66.4109 41.4253 -4.86426 37.7143 25.9435 14.0987 -3.82368 12.234 -14.6883 TIMING: 3461400 CPU: 10937, 0.00317287/step Wall: 10937, 0.00317287/step, 1.35605 hours remaining, 235.652344 MB of memory in use. ENERGY: 3461400 3977.0788 20513.1205 14430.1920 234.8105 -203416.2683 2750.6043 0.0000 0.0000 52062.9010 -109447.5612 299.2062 -161510.4622 -109083.3478 299.0690 -17.8155 10.7898 762565.7136 -18.5294 -18.3852 PRESSURE: 3461600 -131.356 -57.9044 -26.0301 -57.9043 -260.995 4.2363 -26.0304 4.23508 320.022 GPRESSURE: 3461600 -56.2334 -175.198 -11.1452 -67.5995 -238.627 31.8378 -111.401 -10.276 318.925 PRESSAVG: 3461600 -1.23902 24.1833 -34.0981 24.1833 38.7203 40.3119 -34.0982 40.3118 25.9468 GPRESSAVG: 3461600 -1.15979 23.0102 -31.3487 23.8238 38.7247 42.0863 -35.8819 42.2031 25.265 TIMING: 3461600 CPU: 10937.6, 0.00316868/step Wall: 10937.6, 0.00316868/step, 1.35408 hours remaining, 235.652344 MB of memory in use. ENERGY: 3461600 3930.2126 20400.0616 14429.1496 253.7674 -203087.1249 2606.7347 0.0000 0.0000 51974.0059 -109493.1932 298.6953 -161467.1991 -109124.9298 298.8025 -24.1093 8.0215 762864.3197 21.1427 20.9433 PRESSURE: 3461800 206.577 59.8384 93.2657 59.838 -174.565 -123.264 93.2652 -123.263 191.102 GPRESSURE: 3461800 114.125 72.5797 -6.08062 9.01086 29.929 -160.826 9.04693 -93.4731 184.431 PRESSAVG: 3461800 39.9804 21.124 -4.55225 21.1241 -16.7669 13.5396 -4.55219 13.5395 1.44968 GPRESSAVG: 3461800 39.702 20.0688 -7.04631 22.1381 -16.6447 13.2986 -5.31802 12.9045 1.88331 TIMING: 3461800 CPU: 10938.3, 0.00315967/step Wall: 10938.3, 0.00315967/step, 1.35006 hours remaining, 235.652344 MB of memory in use. ENERGY: 3461800 3960.3292 20363.4603 14375.3310 266.0783 -203435.4286 2694.2737 0.0000 0.0000 51969.9291 -109806.0271 298.6719 -161775.9562 -109450.6116 298.4259 74.3716 109.4948 760120.6434 8.2211 8.3135 PRESSURE: 3462000 -78.4212 -81.4144 23.8124 -81.4148 -40.4081 284.608 23.8123 284.608 -69.8151 GPRESSURE: 3462000 4.50461 -16.9021 62.2931 6.15858 -42.82 319.504 18.386 155.156 -56.5168 PRESSAVG: 3462000 -8.77366 11.1415 -19.9825 11.1415 4.04583 4.43766 -19.9825 4.43761 0.191177 GPRESSAVG: 3462000 -8.25361 10.6234 -19.0252 11.5264 2.95768 4.5512 -18.8592 3.9411 0.976914 TIMING: 3462000 CPU: 10938.9, 0.00316214/step Wall: 10938.9, 0.00316214/step, 1.35094 hours remaining, 235.652344 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: 3462000 3985.7818 20295.7130 14446.4650 228.3767 -203130.7121 2507.2110 0.0000 0.0000 51876.8892 -109790.2754 298.1372 -161667.1645 -109438.0335 298.1557 -62.8815 -31.6107 761030.3715 -1.5122 -1.4397 PRESSURE: 3462200 -319.225 177.768 -150.71 177.768 -36.966 -157.236 -150.71 -157.236 -244.616 GPRESSURE: 3462200 -257.649 183.427 -161.258 104.346 -51.8451 -200.391 -41.1544 -165.185 -213.998 PRESSAVG: 3462200 17.662 19.555 -3.35398 19.5549 8.03131 26.172 -3.35391 26.172 14.4695 GPRESSAVG: 3462200 16.2834 18.8811 -3.71186 18.2177 9.59719 26.968 -1.51946 27.3818 14.178 TIMING: 3462200 CPU: 10939.5, 0.00317145/step Wall: 10939.5, 0.00317145/step, 1.35474 hours remaining, 235.652344 MB of memory in use. ENERGY: 3462200 3996.1024 20489.5626 14452.1747 251.3079 -203127.6667 2435.8738 0.0000 0.0000 51874.7716 -109627.8737 298.1250 -161502.6453 -109269.1673 298.7909 -200.2689 -174.4973 761453.8473 13.3876 13.3529 PRESSURE: 3462400 34.0614 21.7006 79.3445 21.7003 -96.7508 29.7398 79.3446 29.7397 148.882 GPRESSURE: 3462400 116.945 -9.47355 26.0617 62.8483 -65.5754 34.4394 158.67 18.0168 117.687 PRESSAVG: 3462400 -4.30849 43.2998 -23.6557 43.2998 5.5844 22.4485 -23.6557 22.4485 -20.8412 GPRESSAVG: 3462400 -2.69032 45.1966 -23.4915 42.8527 3.65511 20.7442 -24.5557 21.7735 -20.0248 TIMING: 3462400 CPU: 10940.2, 0.00315521/step Wall: 10940.2, 0.00315521/step, 1.34762 hours remaining, 235.652344 MB of memory in use. ENERGY: 3462400 4020.9912 20333.0268 14434.2386 260.2035 -203226.5834 2615.7611 0.0000 0.0000 52051.6577 -109510.7046 299.1416 -161562.3623 -109149.1445 298.4326 28.7309 56.3522 761995.2580 -6.5218 -6.3533 PRESSURE: 3462600 -289.826 -82.6895 -87.7324 -82.6899 -425.896 -84.3586 -87.7321 -84.3589 -326.381 GPRESSURE: 3462600 -265.37 -179.24 -91.9484 -23.8026 -341.948 -82.4034 -64.5951 -57.095 -332.295 PRESSAVG: 3462600 6.66297 -5.84123 54.0963 -5.84119 -0.955958 5.30835 54.0962 5.30834 5.71597 GPRESSAVG: 3462600 6.35409 -6.71481 55.0964 -4.29964 0.689152 7.40424 52.634 6.47387 4.64524 TIMING: 3462600 CPU: 10940.8, 0.00316274/step Wall: 10940.8, 0.00316274/step, 1.35066 hours remaining, 235.652344 MB of memory in use. ENERGY: 3462600 4071.5972 20426.8162 14429.3673 239.8416 -203223.8966 2333.1131 0.0000 0.0000 52165.0244 -109558.1368 299.7931 -161723.1612 -109195.1372 299.3622 -347.3676 -313.2045 762181.6546 3.8077 3.8962 PRESSURE: 3462800 -5.61557 -193.8 20.0158 -193.8 -64.617 -42.8181 20.0156 -42.817 176.652 GPRESSURE: 3462800 -79.3115 -149.608 -35.1438 -249.695 33.8936 -59.8566 -58.632 -8.22602 222.041 PRESSAVG: 3462800 -45.2022 36.6973 53.1046 36.6973 78.9426 -4.91004 53.1046 -4.90998 8.29561 GPRESSAVG: 3462800 -44.9281 36.9254 50.7596 36.7957 77.8982 -6.81074 53.2895 -6.36783 9.214 TIMING: 3462800 CPU: 10941.4, 0.00314502/step Wall: 10941.4, 0.00314502/step, 1.34292 hours remaining, 235.652344 MB of memory in use. ENERGY: 3462800 3903.5638 20702.9268 14379.4878 248.0536 -203478.7881 2455.4590 0.0000 0.0000 52238.6751 -109550.6220 300.2164 -161789.2971 -109190.2005 299.3467 35.4730 58.8744 760748.9635 14.0120 14.0614 PRESSURE: 3463000 -250.983 -21.7756 -145.574 -21.7753 -118.347 -74.1669 -145.574 -74.1664 -519.872 GPRESSURE: 3463000 -259.194 -46.9145 -139.555 -100.614 -105.066 -116.74 -126.583 -33.9936 -447.511 PRESSAVG: 3463000 -3.43259 17.5226 8.67696 17.5226 6.04029 -18.8934 8.677 -18.8934 -26.4192 GPRESSAVG: 3463000 -4.65453 17.8413 10.6139 17.226 6.76728 -16.9275 8.97658 -17.3024 -25.7283 TIMING: 3463000 CPU: 10942.1, 0.0031417/step Wall: 10942.1, 0.0031417/step, 1.34133 hours remaining, 235.652344 MB of memory in use. ENERGY: 3463000 3951.6718 20516.0562 14445.7202 259.9472 -203122.6245 2310.0305 0.0000 0.0000 51987.0996 -109652.0991 298.7706 -161639.1986 -109279.4992 298.7198 -296.4006 -270.5901 763518.5030 -7.9372 -7.8719 PRESSURE: 3463200 534.507 58.8861 -96.8475 58.8863 342.106 0.950447 -96.8483 0.950759 459.124 GPRESSURE: 3463200 593.696 -42.5807 -77.843 17.5451 384.643 13.1396 -132.67 -114.478 448.218 PRESSAVG: 3463200 -46.7454 22.737 13.137 22.7369 61.4747 -10.1922 13.137 -10.1922 15.864 GPRESSAVG: 3463200 -44.2509 21.1598 12.6427 24.2689 60.3215 -10.7409 13.2076 -9.96585 14.3392 TIMING: 3463200 CPU: 10942.7, 0.00315011/step Wall: 10942.7, 0.00315011/step, 1.34475 hours remaining, 235.652344 MB of memory in use. ENERGY: 3463200 4000.2993 20455.9610 14379.3253 237.1318 -203730.0950 2905.1190 0.0000 0.0000 52223.8479 -109528.4107 300.1312 -161752.2586 -109166.2148 299.0051 445.2456 475.5189 761472.4427 10.1978 10.1366 PRESSURE: 3463400 -347.048 -314.654 -69.7787 -314.654 -455.844 -229.448 -69.7786 -229.448 -152.065 GPRESSURE: 3463400 -279.294 -269.52 -132.323 -274.913 -483.821 -92.5707 -41.865 -274.367 -103.66 PRESSAVG: 3463400 -14.2251 -35.7461 36.3044 -35.7462 -3.73746 11.1811 36.3044 11.1811 -22.1991 GPRESSAVG: 3463400 -16.644 -34.3068 36.7584 -36.0284 -2.58825 12.2891 35.6942 7.93399 -20.7009 TIMING: 3463400 CPU: 10943.3, 0.00313699/step Wall: 10943.3, 0.00313699/step, 1.33897 hours remaining, 235.652344 MB of memory in use. ENERGY: 3463400 3979.6417 20448.0846 14446.8435 252.9354 -203050.6790 2399.9895 0.0000 0.0000 51933.9503 -109589.2340 298.4651 -161523.1843 -109226.3167 298.8589 -318.3189 -288.9249 762366.6760 -13.3872 -13.3110 PRESSURE: 3463600 55.8103 95.2266 18.4616 95.2264 -378.212 11.4448 18.4618 11.4454 114.848 GPRESSURE: 3463600 96.7003 56.6258 -9.55 89.5226 -336.343 -126.748 150.24 -9.21208 116.619 PRESSAVG: 3463600 10.323 -41.7438 28.2615 -41.7438 -24.7182 -11.8573 28.2615 -11.8574 -2.96784 GPRESSAVG: 3463600 11.8128 -40.6273 27.5911 -41.7216 -26.0129 -13.4585 28.4815 -10.2472 -3.40199 TIMING: 3463600 CPU: 10944, 0.00315276/step Wall: 10944, 0.00315276/step, 1.34553 hours remaining, 235.652344 MB of memory in use. ENERGY: 3463600 4049.6910 20472.3374 14339.0504 250.6766 -202950.6736 2245.3731 0.0000 0.0000 52001.1334 -109592.4118 298.8512 -161593.5452 -109240.8152 298.7898 -69.1848 -41.0077 760233.2195 -5.7877 -5.8674 PRESSURE: 3463800 170.06 56.5226 165.791 56.5221 82.0844 53.4624 165.791 53.4627 335.931 GPRESSURE: 3463800 248.484 1.64331 177.52 106.237 94.0979 105.823 130.372 101.396 320.99 PRESSAVG: 3463800 35.4882 -21.6006 -11.0749 -21.6005 -23.554 -30.2993 -11.0749 -30.2993 20.0053 GPRESSAVG: 3463800 34.2139 -22.4874 -12.378 -22.3719 -22.4184 -29.5073 -8.93801 -30.5431 20.4171 TIMING: 3463800 CPU: 10944.6, 0.00314018/step Wall: 10944.6, 0.00314018/step, 1.33999 hours remaining, 235.652344 MB of memory in use. ENERGY: 3463800 4040.7961 20396.7884 14434.9015 244.3968 -202958.5603 2599.0504 0.0000 0.0000 51704.0838 -109538.5432 297.1441 -161242.6271 -109173.6909 298.8122 196.0248 221.1906 760912.1973 10.6465 10.7375 PRESSURE: 3464000 35.1818 4.90957 110.726 4.90949 64.3397 93.7929 110.727 93.793 139.425 GPRESSURE: 3464000 141.221 -13.7372 52.4398 -28.0689 36.9032 147.665 86.8509 2.5782 135.631 PRESSAVG: 3464000 -37.2078 44.3171 36.3343 44.3171 31.0764 -3.29059 36.3343 -3.29062 -40.2108 GPRESSAVG: 3464000 -35.0126 43.737 36.0259 45.0867 30.0483 -2.00052 34.1723 -3.41253 -41.1262 TIMING: 3464000 CPU: 10945.2, 0.00315487/step Wall: 10945.2, 0.00315487/step, 1.34608 hours remaining, 235.652344 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: 3464000 4013.6835 20292.1302 14364.9909 259.3892 -203324.0328 2614.2250 0.0000 0.0000 52224.5313 -109555.0826 300.1351 -161779.6139 -109187.8725 298.6509 79.6488 104.5851 760502.5331 -15.4474 -15.3635 PRESSURE: 3464200 -235.493 -110.992 152.103 -110.992 -395.936 -13.6758 152.103 -13.6762 -47.8607 GPRESSURE: 3464200 -263.608 -39.9965 102.747 -150.555 -334.695 68.9926 138.585 44.9118 8.91618 PRESSAVG: 3464200 28.6085 -30.9387 8.18539 -30.9387 -48.3974 0.985549 8.18542 0.985531 4.48272 GPRESSAVG: 3464200 26.8625 -28.6731 9.29592 -32.4346 -47.6296 -0.373543 6.60833 0.741553 6.33226 TIMING: 3464200 CPU: 10945.8, 0.00315597/step Wall: 10945.8, 0.00315597/step, 1.34637 hours remaining, 235.652344 MB of memory in use. ENERGY: 3464200 4032.3425 20343.8151 14519.4490 253.9852 -203115.6814 2454.3142 0.0000 0.0000 51877.5207 -109634.2547 298.1408 -161511.7754 -109270.5268 298.3493 -226.4299 -196.4622 762254.4258 -5.1021 -4.8116 LDB: ============= START OF LOAD BALANCING ============== 10958.4 LDB: ============== END OF LOAD BALANCING =============== 10958.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10958.4 LDB: ============= START OF LOAD BALANCING ============== 10958.7 LDB: Largest compute 7073 load 0.033162 is 17.0% of average load 0.195561 LDB: Average compute 0.004402 is 2.3% of average load 0.195561 LDB: TIME 10958.7 LOAD: AVG 0.195561 MAX 0.216608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 10958.7 LOAD: AVG 0.195561 MAX 0.216608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 10958.7 LOAD: AVG 0.195561 MAX 0.216608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 10958.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10958.7 PRESSURE: 3464400 171.338 26.7485 159.076 26.7487 133.712 40.097 159.076 40.0985 -50.2074 GPRESSURE: 3464400 159.611 -15.279 152.993 14.4151 215.495 159.389 236.256 61.234 -16.4838 PRESSAVG: 3464400 -34.3269 -32.4113 15.5707 -32.4112 35.2385 -14.8632 15.5708 -14.8632 -2.52392 GPRESSAVG: 3464400 -33.5914 -34.0422 14.0432 -31.5529 35.6258 -15.5813 17.0876 -13.2657 -3.72702 TIMING: 3464400 CPU: 10946.5, 0.00322612/step Wall: 10946.5, 0.00322612/step, 1.37612 hours remaining, 235.449219 MB of memory in use. ENERGY: 3464400 3981.1551 20407.5362 14374.1310 259.1479 -203436.6348 2749.9886 0.0000 0.0000 52143.0388 -109521.6372 299.6668 -161664.6760 -109158.1785 298.4786 84.9474 119.5406 762818.6682 -0.5375 -0.5642 PRESSURE: 3464600 39.064 79.7143 294.652 79.715 -234.693 18.1533 294.65 18.153 -56.1096 GPRESSURE: 3464600 95.8553 89.2832 288.803 49.8622 -189.387 -13.4854 246.853 34.3502 -63.897 PRESSAVG: 3464600 -8.0417 -24.1359 48.1001 -24.1359 1.74234 6.15516 48.1001 6.15511 -5.64025 GPRESSAVG: 3464600 -8.40248 -24.9088 50.7073 -24.2956 2.14067 5.89228 48.4511 5.08896 -5.73131 TIMING: 3464600 CPU: 10947.1, 0.00315849/step Wall: 10947.1, 0.00315849/step, 1.3471 hours remaining, 235.449219 MB of memory in use. ENERGY: 3464600 4087.6544 20329.0119 14470.9546 254.4561 -203362.2827 2766.3398 0.0000 0.0000 52100.7458 -109353.1200 299.4237 -161453.8659 -108999.2422 299.3626 -83.9128 -52.4761 762413.8989 -3.9799 -3.9977 PRESSURE: 3464800 -82.4306 168.272 147.706 168.273 -320.392 -12.0219 147.706 -12.0215 33.0034 GPRESSURE: 3464800 -40.8274 151.113 147.199 138.054 -311.245 -27.0459 155.157 25.7856 68.4186 PRESSAVG: 3464800 -15.4186 0.935269 26.4111 0.935258 10.8518 9.11476 26.4111 9.11472 -15.0453 GPRESSAVG: 3464800 -13.9194 1.74986 26.9307 0.954837 9.80273 9.09679 25.2589 10.1037 -15.9217 TIMING: 3464800 CPU: 10947.7, 0.00314613/step Wall: 10947.7, 0.00314613/step, 1.34165 hours remaining, 235.449219 MB of memory in use. ENERGY: 3464800 3984.6960 20457.9793 14479.7243 242.1947 -203473.1904 2723.4579 0.0000 0.0000 52130.5970 -109454.5412 299.5953 -161585.1382 -109096.7049 299.2664 -123.2729 -94.5512 761390.2429 -6.5374 -6.6794 PRESSURE: 3465000 341.76 161.627 67.7881 161.627 88.1721 -210.298 67.788 -210.297 7.40959 GPRESSURE: 3465000 314.522 141.03 115.361 50.4275 173.312 -138.272 96.9082 -197.355 19.2215 PRESSAVG: 3465000 -3.78035 -36.6181 29.6831 -36.6181 36.8827 -47.1476 29.6831 -47.1476 3.555 GPRESSAVG: 3465000 -4.00667 -36.5251 26.9215 -37.6702 36.6635 -46.2431 31.3515 -48.6062 3.45687 TIMING: 3465000 CPU: 10948.4, 0.00315482/step Wall: 10948.4, 0.00315482/step, 1.34518 hours remaining, 235.449219 MB of memory in use. ENERGY: 3465000 3953.0429 20543.1742 14392.0666 246.5921 -203496.9273 3021.7063 0.0000 0.0000 52316.6485 -109023.6967 300.6645 -161340.3452 -108659.9369 299.6601 145.7807 169.0186 761429.0453 12.2191 12.0379 PRESSURE: 3465200 30.51 -138.805 -7.28119 -138.804 -54.6675 94.154 -7.28114 94.1531 76.613 GPRESSURE: 3465200 78.0464 -90.2756 15.9322 -28.6207 -63.5662 -26.8942 25.0439 87.5366 116.888 PRESSAVG: 3465200 23.4146 -8.47887 19.3246 -8.47883 -27.9841 22.3225 19.3246 22.3226 7.88456 GPRESSAVG: 3465200 23.6463 -8.27953 21.9192 -7.33736 -28.677 21.1909 19.2745 23.2424 7.88236 TIMING: 3465200 CPU: 10949, 0.0031546/step Wall: 10949, 0.0031546/step, 1.34491 hours remaining, 235.449219 MB of memory in use. ENERGY: 3465200 4010.0649 20671.7326 14437.8747 251.4372 -203118.4429 2671.0232 0.0000 0.0000 52235.4511 -108840.8593 300.1979 -161076.3104 -108476.9434 300.4863 17.4852 43.7893 762341.7003 1.1050 0.9505 PRESSURE: 3465400 119.971 16.6705 13.7258 16.6707 -27.2468 295.715 13.7254 295.715 -257.034 GPRESSURE: 3465400 125.181 -136.782 103.714 95.6101 -5.89691 300.04 -162.253 279.774 -200.927 PRESSAVG: 3465400 21.2679 -24.292 -23.845 -24.292 -4.11515 66.6386 -23.8449 66.6386 -20.8974 GPRESSAVG: 3465400 20.3663 -25.3012 -26.1246 -23.6088 -2.70961 66.6731 -25.3246 67.1461 -21.4241 TIMING: 3465400 CPU: 10949.6, 0.00317141/step Wall: 10949.6, 0.00317141/step, 1.3519 hours remaining, 235.449219 MB of memory in use. ENERGY: 3465400 4067.2033 20634.8364 14432.5937 242.3960 -203311.6266 2861.5843 0.0000 0.0000 52037.7197 -109035.2933 299.0615 -161073.0130 -108674.3733 300.0338 -54.7699 -27.2143 762519.4413 -1.2482 -1.2558 PRESSURE: 3465600 190.252 13.7763 -29.4203 13.7764 -400.512 107.736 -29.4203 107.737 -4.6334 GPRESSURE: 3465600 96.4256 37.9362 -76.5128 -3.86472 -240.155 144.986 -47.2037 40.9071 2.89673 PRESSAVG: 3465600 35.5467 -37.7827 -28.689 -37.7827 -44.4177 -15.0505 -28.6889 -15.0505 -20.371 GPRESSAVG: 3465600 35.7976 -36.0924 -27.4825 -40.9605 -45.7255 -14.4242 -29.5399 -13.7312 -19.229 TIMING: 3465600 CPU: 10950.3, 0.00314327/step Wall: 10950.3, 0.00314327/step, 1.33973 hours remaining, 235.449219 MB of memory in use. ENERGY: 3465600 4078.2410 20474.5424 14460.3487 257.7625 -202857.0589 2700.9411 0.0000 0.0000 51833.5616 -109051.6615 297.8882 -160885.2231 -108699.5619 299.7579 -71.6309 -46.9443 762557.2087 -9.7473 -9.7190 PRESSURE: 3465800 -190.286 -172.302 -18.7798 -172.302 -243.143 -28.7869 -18.7793 -28.788 47.2689 GPRESSURE: 3465800 -65.0463 -114.904 -44.49 -122.587 -222.817 -41.2191 16.0604 -14.6622 -21.1186 PRESSAVG: 3465800 84.2337 -47.0658 -2.87131 -47.0657 -75.8139 31.2205 -2.87136 31.2205 6.13878 GPRESSAVG: 3465800 84.4575 -47.5558 -1.65847 -43.5239 -75.6923 31.6997 -2.98021 27.4056 5.9874 TIMING: 3465800 CPU: 10950.9, 0.00314687/step Wall: 10950.9, 0.00314687/step, 1.34109 hours remaining, 235.449219 MB of memory in use. ENERGY: 3465800 4064.5860 20426.2931 14465.0133 221.3998 -203116.8193 2529.9321 0.0000 0.0000 52281.2161 -109128.3789 300.4609 -161409.5949 -108759.6666 299.2390 -128.7201 -102.9939 763486.2757 4.8528 4.9175 PRESSURE: 3466000 -371.961 138.576 0.000374937 138.575 -94.0023 149.406 0.000419589 149.407 -349.247 GPRESSURE: 3466000 -319.782 139.292 100.959 52.0392 -39.2257 139.394 -228.81 104.479 -380.373 PRESSAVG: 3466000 1.96491 -4.39651 28.052 -4.39657 -53.0525 -16.1178 28.052 -16.1177 -15.8266 GPRESSAVG: 3466000 3.02338 -2.72876 26.8295 -6.10551 -52.8533 -16.537 27.964 -15.8555 -16.4175 TIMING: 3466000 CPU: 10951.5, 0.00315076/step Wall: 10951.5, 0.00315076/step, 1.34257 hours remaining, 235.449219 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: 3466000 4017.0994 20399.9370 14473.7939 236.2322 -203221.1123 2879.0869 0.0000 0.0000 51903.1314 -109311.8315 298.2880 -161214.9629 -108953.2523 299.8073 -271.7367 -246.4602 763179.5276 -22.3047 -22.0825 PRESSURE: 3466200 56.3224 13.4666 -35.5706 13.4674 -167.568 -244.447 -35.5704 -244.446 -161.757 GPRESSURE: 3466200 78.1197 -64.6159 23.4965 -52.3271 -98.0314 -339.468 81.6683 -158.543 -173.275 PRESSAVG: 3466200 31.779 -45.8582 -58.2188 -45.8582 20.1525 -39.2481 -58.2188 -39.2481 -7.53913 GPRESSAVG: 3466200 30.198 -49.3576 -57.2837 -44.9785 20.9084 -39.4593 -57.6011 -37.3279 -6.64457 TIMING: 3466200 CPU: 10952.2, 0.00315635/step Wall: 10952.2, 0.00315635/step, 1.34478 hours remaining, 235.449219 MB of memory in use. ENERGY: 3466200 3913.3767 20612.4167 14373.7834 250.5052 -203107.3292 2548.9708 0.0000 0.0000 52137.5486 -109270.7278 299.6352 -161408.2764 -108911.2013 299.2404 -91.0007 -64.3957 762766.4551 14.7974 14.8206 PRESSURE: 3466400 193.121 245.614 -98.4008 245.615 242.895 -48.0845 -98.4013 -48.0837 405.339 GPRESSURE: 3466400 172.112 114.123 -124.995 220.895 270.6 -14.3552 2.14697 -43.253 490.251 PRESSAVG: 3466400 53.2615 -17.5839 -12.231 -17.5839 -19.7063 -5.95365 -12.231 -5.95367 -19.936 GPRESSAVG: 3466400 53.8602 -14.3041 -14.5262 -19.3658 -20.4929 -6.69955 -11.8529 -5.17397 -19.7873 TIMING: 3466400 CPU: 10952.8, 0.00317017/step Wall: 10952.8, 0.00317017/step, 1.35049 hours remaining, 235.449219 MB of memory in use. ENERGY: 3466400 3992.3861 20384.6704 14474.0287 251.1806 -203271.2266 2812.2291 0.0000 0.0000 51956.6331 -109400.0985 298.5955 -161356.7316 -109039.8093 299.2193 280.4516 310.9875 761821.8804 4.5397 4.5267 PRESSURE: 3466600 -380.457 -161.647 -152.82 -161.646 -233.492 -5.34034 -152.82 -5.34055 376.492 GPRESSURE: 3466600 -341.225 -125.769 -158.585 -69.6782 -186.476 -0.638841 -3.65494 -19.9957 360.238 PRESSAVG: 3466600 -64.473 -7.63109 -12.0585 -7.63112 60.0781 -69.0797 -12.0584 -69.0797 -5.99827 GPRESSAVG: 3466600 -64.1733 -8.77273 -10.7993 -6.61265 59.7298 -68.2838 -11.7141 -69.3231 -5.30739 TIMING: 3466600 CPU: 10953.4, 0.00317918/step Wall: 10953.4, 0.00317918/step, 1.35415 hours remaining, 235.449219 MB of memory in use. ENERGY: 3466600 3984.1918 20455.8981 14409.6638 245.3912 -202780.4641 2383.5571 0.0000 0.0000 51945.3741 -109356.3880 298.5308 -161301.7621 -109007.5723 298.5484 -79.1522 -55.8211 763644.9067 -3.4644 -3.2503 PRESSURE: 3466800 8.31806 98.0604 47.7275 98.0607 56.6892 147.818 47.7283 147.818 94.2672 GPRESSURE: 3466800 75.3444 2.37772 53.945 119.514 56.2343 155.935 13.5218 -2.10572 115.743 PRESSAVG: 3466800 26.9901 -9.47279 -45.3357 -9.47277 -29.8793 -46.3462 -45.3357 -46.3462 8.10521 GPRESSAVG: 3466800 26.3739 -8.35822 -44.5398 -12.7831 -27.8737 -44.8918 -47.3297 -49.5378 5.69451 TIMING: 3466800 CPU: 10954.1, 0.0031372/step Wall: 10954.1, 0.0031372/step, 1.3361 hours remaining, 235.449219 MB of memory in use. ENERGY: 3466800 3920.2926 20261.4802 14383.7152 255.3173 -203290.7793 2733.0389 0.0000 0.0000 52046.6708 -109690.2642 299.1129 -161736.9350 -109324.2961 298.9721 53.0915 82.4406 761815.5875 1.7387 1.3983 PRESSURE: 3467000 -230.702 -46.9925 -71.9363 -46.9925 -75.5209 -110.755 -71.9366 -110.756 -483.787 GPRESSURE: 3467000 -201.715 3.44174 -27.925 -3.91631 -42.8663 -122.227 23.436 -64.4428 -459.567 PRESSAVG: 3467000 8.4598 -14.3308 -13.4255 -14.3308 9.92343 5.86995 -13.4256 5.86997 11.6297 GPRESSAVG: 3467000 9.00632 -15.9405 -14.417 -12.1183 7.75232 5.64179 -12.4493 9.22091 13.2738 TIMING: 3467000 CPU: 10954.7, 0.0031476/step Wall: 10954.7, 0.0031476/step, 1.34035 hours remaining, 235.449219 MB of memory in use. ENERGY: 3467000 3998.7809 20598.1217 14389.7057 226.6563 -202932.3578 2336.7418 0.0000 0.0000 51743.8711 -109638.4803 297.3727 -161382.3514 -109296.0120 297.9433 -263.3364 -234.7159 762106.0708 10.0043 10.0108 PRESSURE: 3467200 20.6064 -288.958 158.336 -288.958 -233.513 -140.181 158.337 -140.18 114.773 GPRESSURE: 3467200 157.732 -213.523 205.141 -152.165 -303.945 -283.039 178.718 -173.476 146.396 PRESSAVG: 3467200 37.749 -34.4461 20.6959 -34.4461 -41.5438 6.04021 20.6959 6.04025 26.0539 GPRESSAVG: 3467200 36.9047 -33.9819 22.1542 -31.5471 -41.0422 3.60847 21.7642 3.84202 25.9378 TIMING: 3467200 CPU: 10955.3, 0.00314374/step Wall: 10955.3, 0.00314374/step, 1.33853 hours remaining, 235.449219 MB of memory in use. ENERGY: 3467200 3974.7437 20403.5140 14363.3266 249.2781 -203439.8026 2946.4363 0.0000 0.0000 51990.9367 -109511.5671 298.7926 -161502.5039 -109148.9543 299.0108 -32.7111 0.0606 761931.7965 7.4197 7.2667 PRESSURE: 3467400 374.867 -157.689 -42.1562 -157.689 -66.0803 -45.779 -42.1552 -45.7786 -41.1265 GPRESSURE: 3467400 387.991 -98.6317 61.345 -195.667 -16.9956 -56.1657 13.5139 -45.1867 -42.8892 PRESSAVG: 3467400 22.9507 -24.6764 -38.4099 -24.6764 9.26318 -19.7707 -38.4099 -19.7707 -20.2604 GPRESSAVG: 3467400 22.1715 -24.2347 -37.4882 -25.6754 9.09184 -16.2285 -39.773 -20.2491 -18.9461 TIMING: 3467400 CPU: 10955.9, 0.00313702/step Wall: 10955.9, 0.00313702/step, 1.3355 hours remaining, 235.449219 MB of memory in use. ENERGY: 3467400 4022.9307 20442.2901 14351.2479 269.0784 -203264.3312 2798.3687 0.0000 0.0000 52100.9924 -109279.4229 299.4251 -161380.4153 -108913.4205 299.0187 89.2200 109.3687 763089.2914 3.9845 4.1058 PRESSURE: 3467600 162.981 17.3536 30.3641 17.3529 -93.7974 -139.252 30.3654 -139.252 53.7083 GPRESSURE: 3467600 162.585 -73.8499 11.4217 -118.988 -47.7533 -172.453 -17.5614 -21.0216 94.681 PRESSAVG: 3467600 48.1346 12.6978 25.8404 12.6977 -48.6078 0.71941 25.8404 0.719466 -1.964 GPRESSAVG: 3467600 47.6839 12.5348 24.9533 12.4281 -48.4517 -0.801796 24.7159 1.97955 -2.34026 TIMING: 3467600 CPU: 10956.6, 0.0031503/step Wall: 10956.6, 0.0031503/step, 1.34098 hours remaining, 235.449219 MB of memory in use. ENERGY: 3467600 4067.7859 20682.2567 14485.9112 250.5373 -203156.0582 2882.7349 0.0000 0.0000 51611.4091 -109175.4230 296.6115 -160786.8322 -108825.1317 299.2026 40.9641 69.8376 763061.4557 -0.8124 -1.0360 PRESSURE: 3467800 -29.6751 71.8452 223.229 71.8449 -181.154 128.067 223.229 128.067 -207.176 GPRESSURE: 3467800 -82.2163 84.9202 168.044 -10.9915 -40.4332 93.8939 121.741 42.346 -212.507 PRESSAVG: 3467800 22.6027 -17.104 0.744989 -17.104 -37.2299 26.8302 0.744967 26.8302 -17.3472 GPRESSAVG: 3467800 23.0552 -18.8062 1.80936 -16.3005 -36.961 25.2352 0.764648 29.9366 -17.7313 TIMING: 3467800 CPU: 10957.2, 0.00315088/step Wall: 10957.2, 0.00315088/step, 1.34105 hours remaining, 235.449219 MB of memory in use. ENERGY: 3467800 3977.2972 20377.6913 14427.4875 237.7109 -203249.5707 2685.4254 0.0000 0.0000 52286.6567 -109257.3018 300.4921 -161543.9585 -108872.8432 299.3676 -139.3350 -111.7187 763451.2167 -10.6581 -10.5457 PRESSURE: 3468000 -147.933 -85.7163 24.3106 -85.7161 -45.7373 -52.9696 24.3111 -52.9696 -206.385 GPRESSURE: 3468000 -101.208 -51.0706 -41.1334 -143.723 -82.8728 -45.9901 62.3466 -75.6862 -130.734 PRESSAVG: 3468000 75.1494 -34.4062 12.5517 -34.4062 -33.7942 29.4339 12.5518 29.4339 4.55164 GPRESSAVG: 3468000 76.593 -32.7191 11.4041 -35.1921 -35.0528 31.8694 15.2604 27.6963 4.51659 TIMING: 3468000 CPU: 10957.8, 0.00315736/step Wall: 10957.8, 0.00315736/step, 1.34363 hours remaining, 235.449219 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: 3468000 3967.3976 20497.2497 14389.2572 240.0630 -203126.8810 2705.5761 0.0000 0.0000 52018.2189 -109309.1186 298.9494 -161327.3374 -108948.9765 299.1941 -133.3518 -104.9385 763833.9731 15.3023 15.3523 PRESSURE: 3468200 -199.332 131.764 5.61308 131.765 -274.809 -205.392 5.61285 -205.391 32.4071 GPRESSURE: 3468200 -100.926 160.469 1.09358 123.374 -241.424 -237.077 24.4649 -151.557 -16.4096 PRESSAVG: 3468200 23.6771 10.7848 -68.1013 10.7847 -30.6164 3.61161 -68.1013 3.61164 7.38386 GPRESSAVG: 3468200 22.6628 10.4374 -69.0284 10.9273 -28.9951 1.97926 -66.7279 3.64603 6.61918 TIMING: 3468200 CPU: 10958.5, 0.00314496/step Wall: 10958.5, 0.00314496/step, 1.33818 hours remaining, 235.449219 MB of memory in use. ENERGY: 3468200 3960.5799 20451.4064 14415.0993 266.4015 -202742.4268 2365.2307 0.0000 0.0000 51934.9255 -109348.7834 298.4707 -161283.7089 -108984.4219 298.9473 -147.2446 -119.5867 763898.8276 0.1482 0.0956 LDB: ============= START OF LOAD BALANCING ============== 10971 LDB: ============== END OF LOAD BALANCING =============== 10971 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10971 LDB: ============= START OF LOAD BALANCING ============== 10971.3 LDB: Largest compute 7075 load 0.032623 is 16.7% of average load 0.195586 LDB: Average compute 0.004405 is 2.3% of average load 0.195586 LDB: TIME 10971.3 LOAD: AVG 0.195586 MAX 0.21587 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.254 MB LDB: TIME 10971.3 LOAD: AVG 0.195586 MAX 0.21587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: TIME 10971.3 LOAD: AVG 0.195586 MAX 0.21587 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.387 MB LDB: ============== END OF LOAD BALANCING =============== 10971.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10971.3 PRESSURE: 3468400 34.9496 142.158 9.32721 142.159 87.6918 103.351 9.32769 103.352 162.516 GPRESSURE: 3468400 87.7042 77.1131 -103.865 166.994 112.806 39.5064 -4.48014 175.794 176.967 PRESSAVG: 3468400 12.2801 22.6544 5.77207 22.6544 -54.9586 44.699 5.77205 44.6991 -2.09002 GPRESSAVG: 3468400 12.8362 22.6998 6.01862 22.7489 -55.6964 46.4777 3.83867 43.5809 -1.66255 TIMING: 3468400 CPU: 10959.1, 0.00321006/step Wall: 10959.1, 0.00321006/step, 1.3657 hours remaining, 236.734375 MB of memory in use. ENERGY: 3468400 3923.5506 20485.4478 14384.5576 217.7006 -203139.6785 2631.6032 0.0000 0.0000 52167.1766 -109329.6420 299.8055 -161496.8187 -108965.4064 299.1942 95.0525 125.8257 762751.1618 -14.9228 -14.8409 PRESSURE: 3468600 -91.6772 -3.91254 116.268 -3.91188 184.392 -55.544 116.268 -55.5438 223.84 GPRESSURE: 3468600 11.1176 62.4421 39.2034 -18.5526 171.822 -92.4029 42.6085 2.65947 228.879 PRESSAVG: 3468600 -24.8117 8.84834 -19.054 8.84831 17.0197 0.768167 -19.0541 0.768207 2.14852 GPRESSAVG: 3468600 -24.3225 9.92042 -19.2125 8.81886 15.8863 -0.618057 -18.1294 1.899 2.93337 TIMING: 3468600 CPU: 10959.7, 0.00316527/step Wall: 10959.7, 0.00316527/step, 1.34647 hours remaining, 236.937500 MB of memory in use. ENERGY: 3468600 4003.8668 20617.4229 14333.3552 243.0489 -203826.6458 3016.0863 0.0000 0.0000 52056.0029 -109556.8628 299.1666 -161612.8657 -109193.6392 299.0939 105.5182 137.2728 760770.3312 -1.8811 -1.8343 PRESSURE: 3468800 323.799 144.719 -138.375 144.718 97.0499 163.633 -138.374 163.633 -74.8847 GPRESSURE: 3468800 352.306 47.4998 -100.488 35.0203 138.3 183.834 -173.121 39.0457 -36.9053 PRESSAVG: 3468800 12.8462 23.8085 -25.2204 23.8084 -13.4867 17.5834 -25.2204 17.5834 1.43536 GPRESSAVG: 3468800 12.7658 22.5571 -25.3261 25.1212 -12.1347 18.9152 -28.0944 17.6352 0.113801 TIMING: 3468800 CPU: 10960.4, 0.00314996/step Wall: 10960.4, 0.00314996/step, 1.33978 hours remaining, 236.937500 MB of memory in use. ENERGY: 3468800 3967.0596 20490.9687 14369.2445 251.0212 -203311.6388 2496.5575 0.0000 0.0000 52229.7716 -109507.0157 300.1652 -161736.7874 -109137.4682 299.3205 115.3213 151.2336 760343.4180 0.2649 0.2483 PRESSURE: 3469000 -39.5427 -7.15767 1.09144 -7.15734 15.4262 208.26 1.09091 208.26 98.2695 GPRESSURE: 3469000 -45.9348 52.0786 15.0134 -36.73 51.4393 250.409 40.1518 251.385 150.122 PRESSAVG: 3469000 42.1441 45.2635 -3.44694 45.2635 -28.3887 -3.92267 -3.44692 -3.92269 8.86144 GPRESSAVG: 3469000 41.5834 45.4506 -2.43213 43.1114 -29.1276 -5.44925 -3.8257 -3.51091 9.73969 TIMING: 3469000 CPU: 10961, 0.00316796/step Wall: 10961, 0.00316796/step, 1.34726 hours remaining, 236.937500 MB of memory in use. ENERGY: 3469000 4062.0310 20434.4262 14436.6932 210.5018 -203506.2264 2847.1411 0.0000 0.0000 51962.9229 -109552.5102 298.6316 -161515.4331 -109191.3097 299.4329 24.7177 51.8755 763020.2083 7.5389 7.3985 PRESSURE: 3469200 -217.287 93.2551 168.883 93.2548 -36.8005 75.7325 168.882 75.732 220.511 GPRESSURE: 3469200 -110.444 91.4053 202.133 77.9979 12.5298 72.661 109.887 14.1828 140.931 PRESSAVG: 3469200 34.8781 -4.35218 -48.7592 -4.35219 16.3685 18.5291 -48.7592 18.5291 -4.47885 GPRESSAVG: 3469200 33.3513 -4.7957 -49.2208 -3.58438 18.1581 18.781 -46.4916 17.1671 -4.39485 TIMING: 3469200 CPU: 10961.6, 0.00316032/step Wall: 10961.6, 0.00316032/step, 1.34384 hours remaining, 236.937500 MB of memory in use. ENERGY: 3469200 4045.3202 20404.8756 14408.6504 246.7196 -203217.0550 2561.2172 0.0000 0.0000 52118.8194 -109431.4525 299.5276 -161550.2719 -109061.4063 298.7555 -11.1923 14.3390 762584.9335 15.5893 15.7049 PRESSURE: 3469400 -172.625 -31.3252 48.8724 -31.3253 -92.5109 288.885 48.8723 288.885 -227.991 GPRESSURE: 3469400 -258.893 -19.5228 65.985 -73.4036 -92.8495 300.075 -10.6556 239.759 -42.8672 PRESSAVG: 3469400 8.60537 6.30777 -75.9021 6.30779 5.64599 80.6815 -75.9021 80.6815 7.11061 GPRESSAVG: 3469400 10.435 6.86826 -76.2361 7.6012 4.14518 80.5235 -75.7376 80.7484 6.46577 TIMING: 3469400 CPU: 10962.3, 0.00317628/step Wall: 10962.3, 0.00317628/step, 1.35045 hours remaining, 236.937500 MB of memory in use. ENERGY: 3469400 3993.7668 20519.3267 14429.9125 238.3637 -203339.0727 2781.4830 0.0000 0.0000 51930.5786 -109445.6414 298.4457 -161376.2200 -109078.1185 298.9572 -164.3755 -131.5367 761791.3560 7.1207 7.0153 PRESSURE: 3469600 -122.923 -153.069 239.716 -153.068 2.8455 55.4133 239.716 55.4125 -62.194 GPRESSURE: 3469600 23.206 -155.188 158.396 -59.0036 -85.6462 126.491 306.427 66.2266 -16.7167 PRESSAVG: 3469600 24.7884 -29.735 -65.8824 -29.735 -45.1415 49.0167 -65.8824 49.0167 -9.33956 GPRESSAVG: 3469600 25.4956 -30.6087 -64.1782 -29.5635 -46.4962 49.429 -67.0499 49.1221 -7.6618 TIMING: 3469600 CPU: 10962.9, 0.00316072/step Wall: 10962.9, 0.00316072/step, 1.34366 hours remaining, 236.937500 MB of memory in use. ENERGY: 3469600 3970.0314 20609.1904 14387.0268 240.6505 -202986.3120 2484.2773 0.0000 0.0000 52015.0087 -109280.1269 298.9310 -161295.1356 -108914.9571 299.7107 -60.7571 -26.3857 762300.7047 -9.8975 -9.5541 PRESSURE: 3469800 1.39245 73.3676 -7.24062 73.3672 -143.936 177.724 -7.24063 177.724 -162.528 GPRESSURE: 3469800 61.352 78.8194 -68.2483 184.381 -190.481 255.661 -74.4087 35.2407 -116.983 PRESSAVG: 3469800 -2.38304 -40.4908 -42.2391 -40.4908 -3.05015 3.74821 -42.239 3.74821 0.172021 GPRESSAVG: 3469800 -2.64228 -39.8869 -43.3989 -41.5184 -1.72735 5.30364 -41.764 1.54806 -0.496296 TIMING: 3469800 CPU: 10963.5, 0.00317784/step Wall: 10963.5, 0.00317784/step, 1.35076 hours remaining, 236.937500 MB of memory in use. ENERGY: 3469800 3984.5140 20724.5080 14397.5474 240.2971 -203178.8826 2667.6194 0.0000 0.0000 52011.9002 -109152.4966 298.9131 -161164.3968 -108803.1095 299.9069 -101.6903 -82.0373 760748.5665 -1.7537 -1.6220 PRESSURE: 3470000 14.4865 275.56 -93.3595 275.559 61.5406 53.4607 -93.3598 53.4602 16.0319 GPRESSURE: 3470000 119.207 178.179 -96.3201 104.707 59.0477 38.9957 -87.5247 185.307 -12.7464 PRESSAVG: 3470000 -46.8488 -6.18133 -30.993 -6.18138 7.59726 8.37314 -30.993 8.37305 -32.7795 GPRESSAVG: 3470000 -46.3482 -7.37885 -31.1301 -7.65708 8.20715 5.92765 -32.0571 10.4499 -34.0524 TIMING: 3470000 CPU: 10964.2, 0.00315699/step Wall: 10964.2, 0.00315699/step, 1.34172 hours remaining, 236.937500 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: 3470000 3973.5488 20571.6359 14411.1318 253.5761 -202942.1955 2425.1989 0.0000 0.0000 52328.4932 -108978.6108 300.7326 -161307.1040 -108604.5109 299.5821 30.6863 55.1693 760793.1097 -24.0104 -24.0645 PRESSURE: 3470200 -68.5302 17.3357 -260.274 17.3362 -335.132 159.02 -260.274 159.021 -249.399 GPRESSURE: 3470200 -82.9207 105.071 -208.051 84.3818 -202.397 234.717 -282.604 97.1734 -244.043 PRESSAVG: 3470200 -6.39281 38.6176 -59.6055 38.6177 40.7619 57.8462 -59.6055 57.8462 14.3414 GPRESSAVG: 3470200 -8.03344 39.438 -58.8474 38.6763 41.864 58.678 -59.7011 58.9621 14.6488 TIMING: 3470200 CPU: 10964.8, 0.0031591/step Wall: 10964.8, 0.0031591/step, 1.34244 hours remaining, 236.937500 MB of memory in use. ENERGY: 3470200 4082.0410 20398.6707 14381.9600 247.5723 -202880.5723 2558.0403 0.0000 0.0000 52254.4050 -108957.8829 300.3068 -161212.2879 -108591.5145 300.0392 -217.6873 -176.4536 761212.6024 16.2368 16.1598 PRESSURE: 3470400 -222.732 -87.0406 -134.487 -87.0406 7.44629 74.6826 -134.488 74.6824 68.5377 GPRESSURE: 3470400 -152.193 -76.4883 -118.201 -268.255 46.7706 -27.8209 -171.91 108.677 19.9061 PRESSAVG: 3470400 -12.3013 -19.2437 -33.0736 -19.2437 22.19 7.58277 -33.0736 7.58278 3.0337 GPRESSAVG: 3470400 -11.6019 -18.4082 -34.4816 -18.319 21.086 7.1062 -33.7868 7.27547 3.30916 TIMING: 3470400 CPU: 10965.4, 0.00315292/step Wall: 10965.4, 0.00315292/step, 1.33964 hours remaining, 236.937500 MB of memory in use. ENERGY: 3470400 3932.3452 20612.8466 14496.5164 257.7548 -202896.3966 2379.8604 0.0000 0.0000 51974.3342 -109242.7389 298.6972 -161217.0731 -108887.3414 299.8462 -48.9159 -28.5055 761816.4575 4.3075 4.2644 PRESSURE: 3470600 -309.32 -0.379251 -140.197 -0.37982 198.855 -157.698 -140.197 -157.696 175.698 GPRESSURE: 3470600 -179.009 -33.8829 -105.459 -83.1764 140.779 -145.004 -57.3737 -182.51 191.767 PRESSAVG: 3470600 -27.7956 18.1416 -74.488 18.1416 -19.1936 56.914 -74.488 56.9141 18.0613 GPRESSAVG: 3470600 -26.4374 17.1582 -74.2478 15.9823 -20.1463 56.6511 -72.5733 57.6289 17.3552 TIMING: 3470600 CPU: 10966.1, 0.00314334/step Wall: 10966.1, 0.00314334/step, 1.33539 hours remaining, 236.937500 MB of memory in use. ENERGY: 3470600 4024.1026 20432.9951 14442.9340 247.6883 -203012.2846 2547.4280 0.0000 0.0000 52003.4345 -109313.7021 298.8645 -161317.1366 -108943.3595 299.6239 21.7444 51.1791 761550.3416 -9.6426 -9.7428 PRESSURE: 3470800 -254.442 127.627 56.3507 127.627 -32.3058 -80.1785 56.3515 -80.1789 26.4404 GPRESSURE: 3470800 -118.714 67.3457 -17.876 257.523 -24.16 -103.747 55.9521 -170.955 -46.6152 PRESSAVG: 3470800 -30.1788 -40.8967 -13.0247 -40.8967 1.16095 42.8096 -13.0247 42.8095 -3.00211 GPRESSAVG: 3470800 -31.7444 -39.5755 -12.6975 -39.6903 1.35132 43.1297 -12.1965 40.7271 -1.29649 TIMING: 3470800 CPU: 10966.7, 0.00313533/step Wall: 10966.7, 0.00313533/step, 1.33182 hours remaining, 236.937500 MB of memory in use. ENERGY: 3470800 4045.4117 20531.0113 14374.7084 241.3924 -203296.5559 2601.3402 0.0000 0.0000 52154.5137 -109348.1783 299.7327 -161502.6919 -108978.3633 299.0027 -86.7692 -63.1631 760698.0831 -10.6733 -10.5632 PRESSURE: 3471000 39.227 6.75906 -6.5126 6.75916 -211.272 91.8371 -6.51171 91.8369 29.4803 GPRESSURE: 3471000 61.8093 -44.8422 35.0236 -9.77219 -97.3487 167.968 -214.95 34.055 -16.2522 PRESSAVG: 3471000 18.5671 28.6362 0.645737 28.6362 -49.3631 -14.4934 0.645706 -14.4934 4.97303 GPRESSAVG: 3471000 18.3935 25.653 0.817062 31.79 -48.4012 -14.4306 -2.23336 -15.8353 4.03686 TIMING: 3471000 CPU: 10967.3, 0.00315298/step Wall: 10967.3, 0.00315298/step, 1.33914 hours remaining, 236.937500 MB of memory in use. ENERGY: 3471000 4007.4055 20622.0626 14373.9029 244.8938 -203232.7700 2593.2716 0.0000 0.0000 52271.1281 -109120.1055 300.4029 -161391.2336 -108754.2002 299.7385 -47.5214 -17.2639 761382.7761 -8.6077 -8.6570 PRESSURE: 3471200 -123.8 7.37463 29.8249 7.37475 97.3929 179.595 29.8257 179.596 105.735 GPRESSURE: 3471200 -93.9303 62.8087 14.3563 43.4327 111.195 208.248 98.4441 192.779 168.845 PRESSAVG: 3471200 -4.76091 3.01977 39.3616 3.01968 12.7758 -12.8364 39.3616 -12.8365 -5.36892 GPRESSAVG: 3471200 -5.63622 3.94257 39.9157 2.56973 13.1241 -12.107 40.6412 -11.1714 -4.73471 TIMING: 3471200 CPU: 10967.9, 0.00315141/step Wall: 10967.9, 0.00315141/step, 1.3383 hours remaining, 236.937500 MB of memory in use. ENERGY: 3471200 3958.0789 20469.5240 14429.2056 247.8396 -203778.1377 3085.9326 0.0000 0.0000 52189.9030 -109397.6539 299.9361 -161587.5569 -109041.5473 299.6193 26.4423 62.0367 762001.2112 0.8820 0.9177 PRESSURE: 3471400 147.559 -251.145 61.7708 -251.146 4.62486 -126.996 61.7708 -126.996 215.709 GPRESSURE: 3471400 196.613 -146.547 138.209 -286.11 -63.5057 -153.157 -119.318 -121.952 341.423 PRESSAVG: 3471400 13.7704 -6.38721 20.554 -6.38721 -0.989896 -25.3867 20.554 -25.3866 17.1347 GPRESSAVG: 3471400 13.9422 -5.77303 20.4996 -9.34373 -1.62582 -25.2149 20.8733 -24.4243 17.6212 TIMING: 3471400 CPU: 10968.6, 0.00314977/step Wall: 10968.6, 0.00314977/step, 1.33743 hours remaining, 236.937500 MB of memory in use. ENERGY: 3471400 3992.0951 20467.1045 14400.1535 251.5813 -203396.3050 2891.1193 0.0000 0.0000 52006.3764 -109387.8749 298.8814 -161394.2513 -109029.7171 298.9486 122.6309 158.1770 760047.1917 9.9717 9.9792 PRESSURE: 3471600 -201.73 -136.05 202.328 -136.05 -175.019 22.2652 202.329 22.2651 -132.635 GPRESSURE: 3471600 -183.247 -164.525 81.7122 -10.2311 -172.34 16.4474 203.921 -23.3672 -63.0936 PRESSAVG: 3471600 -12.0767 -26.5925 35.5713 -26.5925 -31.2301 23.7067 35.5712 23.7067 1.64996 GPRESSAVG: 3471600 -12.288 -26.012 35.4533 -26.3099 -30.4895 23.1914 33.417 23.945 1.17622 TIMING: 3471600 CPU: 10969.2, 0.00316498/step Wall: 10969.2, 0.00316498/step, 1.34371 hours remaining, 236.937500 MB of memory in use. ENERGY: 3471600 3983.6441 20479.8361 14365.2550 245.0877 -202791.3839 2413.7012 0.0000 0.0000 51757.2541 -109546.6057 297.4497 -161303.8598 -109195.1973 298.9580 -169.7947 -139.5600 763322.1010 -13.8856 -13.8671 PRESSURE: 3471800 117.832 -10.3622 -252.832 -10.3622 -266.887 -43.8861 -252.832 -43.886 25.0289 GPRESSURE: 3471800 99.2481 -1.50404 -176.816 -54.1101 -199.468 -15.1213 -222.715 -119.314 49.6905 PRESSAVG: 3471800 -24.8992 23.135 -7.33927 23.1349 6.97907 18.2769 -7.33932 18.2768 3.30416 GPRESSAVG: 3471800 -23.9973 22.279 -7.16909 23.3574 6.3239 18.6396 -3.27706 18.322 3.18201 TIMING: 3471800 CPU: 10969.8, 0.00314792/step Wall: 10969.8, 0.00314792/step, 1.33629 hours remaining, 236.937500 MB of memory in use. ENERGY: 3471800 4029.4798 20394.9691 14308.2737 233.9796 -203245.9415 2417.4141 0.0000 0.0000 52334.2281 -109527.5972 300.7655 -161861.8253 -109157.8396 298.7187 -41.3417 -16.8431 761647.0576 -4.8720 -4.8305 PRESSURE: 3472000 -413.778 -162.733 99.3808 -162.733 -141.049 114.356 99.3816 114.357 196.808 GPRESSURE: 3472000 -344.358 -205.32 116.968 -255.598 -174.137 89.4247 72.5829 42.2778 224.961 PRESSAVG: 3472000 -37.3874 -0.683973 31.7816 -0.683987 21.7741 -13.8033 31.7816 -13.8033 -2.65167 GPRESSAVG: 3472000 -38.2843 -3.48354 31.1549 1.37006 22.8738 -16.3284 31.898 -13.1056 -2.76459 TIMING: 3472000 CPU: 10970.5, 0.00314586/step Wall: 10970.5, 0.00314586/step, 1.33524 hours remaining, 236.937500 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: 3472000 4008.3494 20490.3889 14376.9093 248.5913 -203206.5556 2657.7828 0.0000 0.0000 51808.5060 -109616.0279 297.7442 -161424.5339 -109255.9610 299.1413 -119.3395 -97.8446 762775.7789 -6.0883 -6.0584 PRESSURE: 3472200 -19.6922 -3.49859 -274.073 -3.49832 -236.055 -48.9404 -274.073 -48.9408 -314.372 GPRESSURE: 3472200 -12.0758 68.5625 -332.802 -38.5062 -242.781 -23.8819 -187.716 -153.155 -242.097 PRESSAVG: 3472200 -82.4842 9.2109 41.0316 9.2109 68.3013 -9.91993 41.0316 -9.91998 -15.4637 GPRESSAVG: 3472200 -81.7732 13.0329 40.8485 7.57942 67.432 -7.08808 40.1256 -11.2783 -15.4759 TIMING: 3472200 CPU: 10971.1, 0.00317888/step Wall: 10971.1, 0.00317888/step, 1.34908 hours remaining, 236.937500 MB of memory in use. ENERGY: 3472200 3933.4033 20516.1152 14355.8744 239.7360 -203274.3060 2610.5522 0.0000 0.0000 52036.9793 -109581.6458 299.0572 -161618.6250 -109222.9345 298.9261 -190.0398 -165.6512 763626.7625 -9.8822 -9.9390 LDB: ============= START OF LOAD BALANCING ============== 10983.6 LDB: ============== END OF LOAD BALANCING =============== 10983.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10983.6 LDB: ============= START OF LOAD BALANCING ============== 10984 LDB: Largest compute 7048 load 0.032870 is 16.8% of average load 0.195501 LDB: Average compute 0.004406 is 2.3% of average load 0.195501 LDB: TIME 10984 LOAD: AVG 0.195501 MAX 0.215185 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 10984 LOAD: AVG 0.195501 MAX 0.215185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 10984 LOAD: AVG 0.195501 MAX 0.215185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 10984 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10984 PRESSURE: 3472400 329.858 2.29168 110.5 2.29236 -19.9301 22.9966 110.5 22.997 151.973 GPRESSURE: 3472400 355.985 66.8949 173.782 54.3625 -5.49556 -91.9691 137.311 87.133 199.554 PRESSAVG: 3472400 -10.6814 6.0476 -37.5576 6.04764 38.3072 17.5819 -37.5575 17.5818 34.5759 GPRESSAVG: 3472400 -11.2987 4.81659 -36.5542 5.43662 38.7956 15.0124 -38.8541 18.2824 34.9405 TIMING: 3472400 CPU: 10971.8, 0.00323553/step Wall: 10971.8, 0.00323553/step, 1.37294 hours remaining, 235.140625 MB of memory in use. ENERGY: 3472400 3987.9901 20386.3279 14349.3737 227.1743 -203277.9332 2660.6151 0.0000 0.0000 51958.3748 -109708.0774 298.6055 -161666.4522 -109345.2079 298.5686 153.9668 183.3476 761629.1282 20.7339 20.8125 PRESSURE: 3472600 -248.714 296.272 136.435 296.273 95.7814 -79.743 136.435 -79.7419 -292.259 GPRESSURE: 3472600 -241.327 289.468 129.448 192.617 158.093 -70.3516 89.8464 3.20292 -272.197 PRESSAVG: 3472600 -1.04038 -37.1809 18.2755 -37.1808 9.44394 15.7054 18.2756 15.7054 2.14346 GPRESSAVG: 3472600 -0.348331 -36.8726 17.1024 -37.2103 8.37309 16.3059 19.814 16.8093 1.68791 TIMING: 3472600 CPU: 10972.4, 0.00315787/step Wall: 10972.4, 0.00315787/step, 1.33981 hours remaining, 235.140625 MB of memory in use. ENERGY: 3472600 3997.3010 20225.9271 14468.9489 233.7710 -203526.6373 2682.1608 0.0000 0.0000 52134.7918 -109783.7367 299.6194 -161918.5285 -109421.9052 298.6966 -148.3974 -118.4773 760675.2481 3.5157 3.2376 PRESSURE: 3472800 -118.53 309.131 -93.67 309.131 -146.993 106.426 -93.6705 106.426 -420.604 GPRESSURE: 3472800 -116.84 237.103 -32.5446 198.163 -127.669 206.363 -133.67 112.427 -353.168 PRESSAVG: 3472800 0.535345 47.8927 -22.2581 47.8927 -0.188215 47.0782 -22.258 47.0781 -5.25902 GPRESSAVG: 3472800 0.893723 48.2337 -21.5467 47.7942 0.583408 48.4557 -23.061 44.0962 -6.33072 TIMING: 3472800 CPU: 10973, 0.00313721/step Wall: 10973, 0.00313721/step, 1.33087 hours remaining, 235.160156 MB of memory in use. ENERGY: 3472800 3874.3454 20318.3851 14381.5710 243.1494 -202753.3033 2194.0596 0.0000 0.0000 51946.5874 -109795.2054 298.5378 -161741.7928 -109436.1495 298.4301 -228.7090 -199.2259 761202.0018 -1.6373 -1.6179 PRESSURE: 3473000 110.638 -34.3217 -94.4639 -34.3213 134.458 238.726 -94.4642 238.726 383.657 GPRESSURE: 3473000 135.061 -97.3106 -24.5929 -16.9603 152.733 289.495 -52.8038 298.43 419.668 PRESSAVG: 3473000 26.9772 -26.7283 15.1658 -26.7283 -4.94209 29.7689 15.1658 29.769 27.9599 GPRESSAVG: 3473000 27.5008 -27.6006 14.8737 -25.3604 -5.78322 28.5568 15.1476 31.707 28.0554 TIMING: 3473000 CPU: 10973.6, 0.0031503/step Wall: 10973.6, 0.0031503/step, 1.33625 hours remaining, 235.160156 MB of memory in use. ENERGY: 3473000 3980.4720 20223.0382 14454.6399 237.8664 -203488.0507 2719.4850 0.0000 0.0000 52128.8802 -109743.6690 299.5854 -161872.5492 -109383.4990 298.8049 209.5844 235.8204 758779.7503 16.6650 16.5910 PRESSURE: 3473200 -488.336 -40.4512 46.0714 -40.4515 113.361 -109.503 46.0723 -109.503 55.1205 GPRESSURE: 3473200 -360.145 10.0825 132.896 -68.8899 115.66 20.9929 -9.33909 -98.275 19.9225 PRESSAVG: 3473200 1.19359 -30.402 -60.3753 -30.402 44.2789 29.2325 -60.3753 29.2325 -26.2376 GPRESSAVG: 3473200 -0.295695 -29.3735 -60.3038 -31.7815 44.3738 28.68 -60.8686 30.4153 -25.4081 TIMING: 3473200 CPU: 10974.3, 0.00317597/step Wall: 10974.3, 0.00317597/step, 1.34696 hours remaining, 235.363281 MB of memory in use. ENERGY: 3473200 4076.0110 20505.4718 14378.8793 235.5813 -203711.2781 2679.7691 0.0000 0.0000 52041.4041 -109794.1616 299.0827 -161835.5657 -109437.8146 298.4846 -106.6180 -74.8541 761054.7374 6.4116 6.2233 PRESSURE: 3473400 -51.2653 -200.871 -83.5175 -200.871 -194.041 20.2327 -83.5176 20.2323 -195.233 GPRESSURE: 3473400 -78.538 -120.722 -28.0181 -216.803 -179.054 9.56601 -85.5442 -85.1155 -89.4545 PRESSAVG: 3473400 -1.2942 -21.5437 -66.0625 -21.5437 -9.48975 46.7748 -66.0625 46.7749 -5.77477 GPRESSAVG: 3473400 -1.90381 -20.9872 -64.7368 -20.1372 -9.83574 48.6148 -66.0013 45.0426 -5.14207 TIMING: 3473400 CPU: 10974.9, 0.00315483/step Wall: 10974.9, 0.00315483/step, 1.33782 hours remaining, 235.363281 MB of memory in use. ENERGY: 3473400 4001.6177 20406.0510 14336.7200 239.4257 -203592.3745 2535.3234 0.0000 0.0000 52258.3426 -109814.8942 300.3294 -162073.2367 -109431.7577 298.3924 -146.8466 -115.6822 761973.8675 -5.5196 -5.6272 PRESSURE: 3473600 -40.4438 -176.136 -109.071 -176.136 -59.6175 -30.9615 -109.071 -30.9606 161.004 GPRESSURE: 3473600 -18.3943 -147.763 -68.0381 -207.745 42.1689 25.1491 -71.8888 -52.9469 117.564 PRESSAVG: 3473600 -9.81698 -15.5461 -6.27898 -15.5461 -2.06289 25.8258 -6.27906 25.8259 -9.54895 GPRESSAVG: 3473600 -9.0373 -17.733 -6.51415 -14.5643 -1.62289 24.9921 -4.45145 27.682 -10.7824 TIMING: 3473600 CPU: 10975.5, 0.00313525/step Wall: 10975.5, 0.00313525/step, 1.32935 hours remaining, 235.363281 MB of memory in use. ENERGY: 3473600 3949.5545 20580.6375 14366.2631 236.1985 -203633.0303 2831.8034 0.0000 0.0000 51947.1655 -109721.4079 298.5411 -161668.5734 -109358.3110 298.7362 20.3144 47.1127 761081.2749 -7.1429 -7.1475 PRESSURE: 3473800 -30.4347 46.327 115.057 46.3264 358.764 -328.087 115.057 -328.087 125.128 GPRESSURE: 3473800 54.227 -65.3722 83.6787 -15.3076 420.605 -211.932 75.5609 -385.087 69.3269 PRESSAVG: 3473800 25.9434 -32.4197 -9.87895 -32.4197 -9.58353 1.93957 -9.87898 1.9396 6.99683 GPRESSAVG: 3473800 26.1904 -29.8411 -11.7528 -34.3993 -9.48172 2.46576 -11.6512 -2.08169 6.69391 TIMING: 3473800 CPU: 10976.2, 0.00315924/step Wall: 10976.2, 0.00315924/step, 1.33934 hours remaining, 235.363281 MB of memory in use. ENERGY: 3473800 3988.0435 20501.6085 14408.8972 245.4276 -203776.0903 2765.1222 0.0000 0.0000 51922.3479 -109944.6433 298.3984 -161866.9912 -109586.9995 298.4433 151.1524 181.3864 761390.8867 7.7856 7.8009 PRESSURE: 3474000 -7.10777 -130.71 232.007 -130.71 8.89082 66.9463 232.008 66.9469 293.433 GPRESSURE: 3474000 23.3694 -152.361 119.215 -153 7.68692 257.118 296.23 -31.9289 357.573 PRESSAVG: 3474000 30.4123 -43.0715 -2.78782 -43.0715 2.9301 -39.4117 -2.78787 -39.4118 -10.5879 GPRESSAVG: 3474000 29.5407 -45.3449 -2.62096 -42.2652 2.27848 -39.2252 -2.23456 -39.4047 -9.55312 TIMING: 3474000 CPU: 10976.8, 0.00314392/step Wall: 10976.8, 0.00314392/step, 1.33267 hours remaining, 235.363281 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: 3474000 4007.5498 20328.3663 14369.2918 246.9506 -203796.0181 2934.0672 0.0000 0.0000 52216.8682 -109692.9242 300.0911 -161909.7923 -109331.9224 298.3784 98.4054 129.5431 760533.0774 7.5849 7.4220 PRESSURE: 3474200 -265.368 87.2617 -225.741 87.2611 -164.097 95.5431 -225.742 95.5428 -60.6111 GPRESSURE: 3474200 -259.146 54.0478 -156.732 217.675 -72.9386 11.9668 -73.7601 77.4683 -88.4859 PRESSAVG: 3474200 23.1607 -21.8373 -48.2085 -21.8373 -33.8524 40.5596 -48.2085 40.5597 -12.1167 GPRESSAVG: 3474200 23.4208 -22.0226 -45.9366 -20.5366 -32.3942 40.2227 -49.2125 41.5753 -13.9276 TIMING: 3474200 CPU: 10977.4, 0.00314685/step Wall: 10977.4, 0.00314685/step, 1.33374 hours remaining, 235.363281 MB of memory in use. ENERGY: 3474200 3992.9894 20477.7119 14452.6318 262.8301 -203601.0633 2578.7857 0.0000 0.0000 52251.5318 -109584.5827 300.2903 -161836.1145 -109218.1117 299.1798 -163.3586 -140.1903 761457.4324 -7.6028 -7.6337 PRESSURE: 3474400 238.329 -95.421 -63.889 -95.421 253.268 -94.6579 -63.8884 -94.6581 529.387 GPRESSURE: 3474400 325.439 -54.491 -88.9049 37.4213 292.728 -112.157 -56.5975 -39.9943 485.314 PRESSAVG: 3474400 0.648656 -22.79 -47.7434 -22.79 22.1092 46.2369 -47.7434 46.2369 -20.1603 GPRESSAVG: 3474400 0.80431 -20.6449 -49.7962 -24.379 21.0395 44.5938 -44.6652 47.2144 -19.6391 TIMING: 3474400 CPU: 10978.1, 0.00315651/step Wall: 10978.1, 0.00315651/step, 1.33766 hours remaining, 235.363281 MB of memory in use. ENERGY: 3474400 3941.4757 20368.0583 14398.4503 243.2671 -203727.3831 3253.2384 0.0000 0.0000 51870.9594 -109651.9339 298.1031 -161522.8933 -109290.3593 298.8020 340.3282 367.8267 762331.2228 0.8658 0.7349 PRESSURE: 3474600 371.814 131.229 -221.866 131.229 179.348 184.634 -221.866 184.634 -155.312 GPRESSURE: 3474600 471.232 107.084 -239.469 123.373 77.4015 155.653 -162.08 127.69 -87.0262 PRESSAVG: 3474600 38.7196 0.932952 -17.0882 0.932929 3.06406 13.7841 -17.0882 13.7841 -14.5898 GPRESSAVG: 3474600 37.3178 -0.374931 -17.2928 2.38104 3.20075 14.7875 -15.7879 12.3337 -14.273 TIMING: 3474600 CPU: 10978.7, 0.00315897/step Wall: 10978.7, 0.00315897/step, 1.33853 hours remaining, 235.363281 MB of memory in use. ENERGY: 3474600 3988.8913 20374.5749 14488.6746 267.0348 -203544.4186 2831.5335 0.0000 0.0000 52077.7192 -109515.9903 299.2914 -161593.7095 -109149.4774 299.1138 131.9502 153.8692 761624.3391 9.0646 8.7485 PRESSURE: 3474800 -467.741 16.1957 -89.8103 16.196 -264.394 -120.552 -89.8111 -120.552 -19.8593 GPRESSURE: 3474800 -500.032 -57.2829 -83.9499 32.3912 -202.848 -119.444 -169.13 -131.024 34.7816 PRESSAVG: 3474800 13.2338 39.9374 -68.5794 39.9373 -62.0098 -4.90291 -68.5795 -4.90286 -8.29737 GPRESSAVG: 3474800 13.1997 41.581 -68.7437 38.385 -62.2974 -5.44728 -72.1907 -2.27052 -7.6664 TIMING: 3474800 CPU: 10979.3, 0.00314352/step Wall: 10979.3, 0.00314352/step, 1.33181 hours remaining, 235.363281 MB of memory in use. ENERGY: 3474800 4016.1954 20568.3489 14405.3177 243.1344 -203342.0416 2602.2852 0.0000 0.0000 52075.2200 -109431.5400 299.2770 -161506.7600 -109065.1521 299.1395 -250.6648 -222.6992 764002.8609 -19.0244 -18.9214 PRESSURE: 3475000 -239.535 -53.2008 54.4965 -53.2006 258.749 -20.1661 54.4966 -20.1651 45.2465 GPRESSURE: 3475000 -202.908 72.3498 33.6442 -103.755 282.535 -114.851 53.0687 -49.9799 54.6542 PRESSAVG: 3475000 -26.4396 -24.7203 -44.4419 -24.7203 32.0428 -30.3646 -44.4419 -30.3646 0.324957 GPRESSAVG: 3475000 -26.6093 -25.5477 -44.7354 -23.1094 32.4778 -29.1407 -44.7764 -35.0002 0.812865 TIMING: 3475000 CPU: 10979.9, 0.00315753/step Wall: 10979.9, 0.00315753/step, 1.33757 hours remaining, 235.363281 MB of memory in use. ENERGY: 3475000 3993.5946 20476.0723 14397.6557 239.8197 -203278.4375 2416.9559 0.0000 0.0000 52173.7436 -109580.5956 299.8432 -161754.3393 -109211.2001 298.8024 21.4868 44.7606 761051.6634 1.9760 2.2271 PRESSURE: 3475200 -113.474 -85.0162 54.7422 -85.0165 -62.1124 33.4932 54.7422 33.4928 122.857 GPRESSURE: 3475200 -77.4301 -87.4745 70.2981 -196.451 -1.57705 32.241 45.1608 -8.40661 103.658 PRESSAVG: 3475200 0.310403 -74.1091 -40.1067 -74.1091 3.86426 -4.51759 -40.1066 -4.51751 -2.48969 GPRESSAVG: 3475200 0.528965 -75.3155 -38.8152 -73.015 3.62622 -5.29465 -41.0936 -3.26297 -2.3358 TIMING: 3475200 CPU: 10980.6, 0.00316336/step Wall: 10980.6, 0.00316336/step, 1.33986 hours remaining, 235.363281 MB of memory in use. ENERGY: 3475200 4028.1192 20617.7474 14415.8313 269.1388 -202997.0183 2254.7082 0.0000 0.0000 51533.8841 -109877.5892 296.1659 -161411.4733 -109524.6950 298.2335 -17.5765 8.2168 761880.8122 0.5617 0.6065 PRESSURE: 3475400 -148.21 -166.754 28.8564 -166.754 -157.838 -38.2857 28.8562 -38.2844 -280.506 GPRESSURE: 3475400 -90.7529 -151.584 88.7023 -131.361 -178.085 -71.9304 59.2856 71.9424 -240.57 PRESSAVG: 3475400 -8.22837 -42.7519 22.4433 -42.752 -2.96217 -4.45007 22.4433 -4.44998 11.0606 GPRESSAVG: 3475400 -6.35568 -44.1077 22.5457 -43.1703 -4.22565 -4.12728 21.6616 -2.33274 10.809 TIMING: 3475400 CPU: 10981.2, 0.00316236/step Wall: 10981.2, 0.00316236/step, 1.33926 hours remaining, 235.363281 MB of memory in use. ENERGY: 3475400 3980.5540 20537.7841 14371.6518 237.3072 -203004.0544 2261.5638 0.0000 0.0000 51631.8224 -109983.3710 296.7288 -161615.1934 -109617.3113 297.8704 -195.5181 -169.8025 759756.1923 -0.0433 0.0759 PRESSURE: 3475600 -415.285 -9.29275 -138.073 -9.29233 -333.507 80.7427 -138.074 80.7429 -415.328 GPRESSURE: 3475600 -403.216 25.3632 -167.485 -88.0127 -274.768 40.9253 -64.8979 -16.9866 -392.822 PRESSAVG: 3475600 12.3988 -80.2166 -71.4978 -80.2166 -41.7428 -32.1367 -71.4978 -32.1367 7.34274 GPRESSAVG: 3475600 10.8021 -80.7201 -70.4833 -79.7193 -40.0182 -31.1136 -69.1177 -33.7504 7.52406 TIMING: 3475600 CPU: 10981.8, 0.00315627/step Wall: 10981.8, 0.00315627/step, 1.33651 hours remaining, 235.363281 MB of memory in use. ENERGY: 3475600 3990.9418 20429.7873 14411.1309 248.2404 -202943.6447 2256.7797 0.0000 0.0000 51766.1086 -109840.6559 297.5005 -161606.7645 -109472.6461 298.0936 -388.0401 -356.9354 761618.7098 -7.3338 -7.2307 PRESSURE: 3475800 332.019 81.0876 -1.52512 81.0872 72.3549 111.51 -1.52498 111.509 -40.7074 GPRESSURE: 3475800 400.161 67.5188 -49.7416 37.7449 96.3926 124.536 -47.5572 75.2665 -37.8427 PRESSAVG: 3475800 55.939 -49.1022 -65.753 -49.1022 -44.5612 -41.0705 -65.7531 -41.0705 7.83379 GPRESSAVG: 3475800 56.3121 -47.5498 -67.6902 -51.02 -44.1173 -41.1786 -66.9305 -39.945 6.97407 TIMING: 3475800 CPU: 10982.5, 0.00314798/step Wall: 10982.5, 0.00314798/step, 1.33282 hours remaining, 235.363281 MB of memory in use. ENERGY: 3475800 3979.9020 20542.1838 14401.9467 245.8450 -203693.1661 2843.8694 0.0000 0.0000 51709.8322 -109969.5870 297.1771 -161679.4192 -109615.1527 298.0076 121.2221 152.9037 760618.9488 6.4039 6.3897 PRESSURE: 3476000 -211.252 58.5071 122.414 58.5068 -352.58 147.5 122.413 147.5 -701.74 GPRESSURE: 3476000 -215.577 20.7603 123.496 58.3554 -249.625 198.366 140.973 240.069 -702.754 PRESSAVG: 3476000 52.3551 -62.7339 -68.8217 -62.734 -57.0972 -27.8496 -68.8218 -27.8496 8.01321 GPRESSAVG: 3476000 51.5529 -62.4645 -69.076 -61.1535 -56.2985 -28.6845 -67.6229 -29.3165 8.36299 TIMING: 3476000 CPU: 10983.1, 0.00315574/step Wall: 10983.1, 0.00315574/step, 1.33593 hours remaining, 235.363281 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: 3476000 4004.4943 20265.1382 14451.0755 238.7396 -203192.1327 2469.7529 0.0000 0.0000 51735.0589 -110027.8733 297.3221 -161762.9323 -109663.8107 297.9064 -421.8572 -389.3188 762354.8631 1.0904 1.2058 PRESSURE: 3476200 130.621 -70.3366 28.6131 -70.3361 263.01 -123.227 28.6127 -123.227 -47.5705 GPRESSURE: 3476200 184.032 -94.1462 33.9891 -161.125 208.224 -97.4009 16.7672 -73.473 29.3998 PRESSAVG: 3476200 42.1966 -48.1052 -15.4207 -48.1052 -14.9816 -37.2619 -15.4208 -37.2619 6.7321 GPRESSAVG: 3476200 43.7313 -48.9362 -15.1123 -48.6935 -15.8667 -38.8312 -13.3893 -34.7395 6.38403 TIMING: 3476200 CPU: 10983.7, 0.00318135/step Wall: 10983.7, 0.00318135/step, 1.3466 hours remaining, 235.363281 MB of memory in use. ENERGY: 3476200 4018.4033 20581.5258 14360.5571 245.7030 -203574.8604 2845.3148 0.0000 0.0000 51646.5394 -109876.8170 296.8134 -161523.3564 -109526.0375 298.2983 115.3535 140.5520 762847.4582 11.3157 11.4162 LDB: ============= START OF LOAD BALANCING ============== 10996.3 LDB: ============== END OF LOAD BALANCING =============== 10996.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10996.3 LDB: ============= START OF LOAD BALANCING ============== 10996.6 LDB: Largest compute 7027 load 0.033910 is 17.3% of average load 0.195524 LDB: Average compute 0.004395 is 2.2% of average load 0.195524 LDB: TIME 10996.6 LOAD: AVG 0.195524 MAX 0.21376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.352 MB LDB: TIME 10996.6 LOAD: AVG 0.195524 MAX 0.21376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: TIME 10996.6 LOAD: AVG 0.195524 MAX 0.21376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: ============== END OF LOAD BALANCING =============== 10996.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10996.6 PRESSURE: 3476400 283.13 70.1254 -23.8345 70.1262 -111.572 20.3325 -23.8346 20.3326 -195.073 GPRESSURE: 3476400 205.227 -14.7929 -46.1049 -4.67716 15.5286 43.9839 1.47206 -65.5762 -155.465 PRESSAVG: 3476400 -18.869 9.01444 18.2228 9.01442 48.3845 0.364666 18.2228 0.36471 -16.872 GPRESSAVG: 3476400 -19.3847 10.1648 17.9535 8.08033 47.9506 1.62486 16.1812 -0.782232 -15.5485 TIMING: 3476400 CPU: 10984.4, 0.00324583/step Wall: 10984.4, 0.00324583/step, 1.37371 hours remaining, 235.449219 MB of memory in use. ENERGY: 3476400 4028.0645 20515.1556 14357.3858 243.3730 -203765.2660 2877.4113 0.0000 0.0000 51768.6304 -109975.2455 297.5150 -161743.8759 -109610.4885 298.0340 -7.8386 21.7636 759996.6437 4.2145 4.3391 PRESSURE: 3476600 -111.147 -66.981 86.8819 -66.9804 -456.855 57.3934 86.882 57.3931 -406.98 GPRESSURE: 3476600 -154.898 -128.324 106.994 -8.76471 -409.914 62.5405 -4.88404 54.1083 -332.624 PRESSAVG: 3476600 -9.63009 -56.6739 15.4605 -56.6739 2.34292 29.9502 15.4605 29.9503 6.09368 GPRESSAVG: 3476600 -9.97244 -57.7914 16.9141 -55.4866 2.17633 31.8109 14.34 29.4556 6.17768 TIMING: 3476600 CPU: 10985, 0.00318376/step Wall: 10985, 0.00318376/step, 1.34726 hours remaining, 235.910156 MB of memory in use. ENERGY: 3476600 4003.8941 20526.9961 14416.6405 255.0440 -203166.3795 2436.4395 0.0000 0.0000 51914.8487 -109612.5167 298.3553 -161527.3653 -109245.0688 298.4070 -324.9938 -299.1456 761872.8757 -0.3978 -0.5395 PRESSURE: 3476800 -118.368 60.0672 -65.6479 60.067 -159.318 142.977 -65.6479 142.976 126.581 GPRESSURE: 3476800 2.2315 60.5411 -73.8088 5.34405 -162.473 170.556 -95.6622 133.625 113.425 PRESSAVG: 3476800 4.48611 -77.4717 18.3852 -77.4717 2.30317 -5.91208 18.3852 -5.91216 -11.6085 GPRESSAVG: 3476800 5.74691 -77.178 18.4309 -75.051 2.55499 -7.97435 17.3363 -4.70576 -13.0311 TIMING: 3476800 CPU: 10985.7, 0.00315701/step Wall: 10985.7, 0.00315701/step, 1.33577 hours remaining, 235.921875 MB of memory in use. ENERGY: 3476800 4031.5922 20545.0256 14449.2927 255.3044 -203390.8798 2522.7683 0.0000 0.0000 52120.5980 -109466.2987 299.5378 -161586.8967 -109105.2557 298.8366 -50.3681 -15.6053 762110.1420 -1.6064 -1.5764 PRESSURE: 3477000 -63.3525 -43.3822 9.79767 -43.3814 -46.9366 71.7535 9.79777 71.7542 -254.319 GPRESSURE: 3477000 13.266 -7.88599 -13.8107 -28.8737 -54.9709 10.5316 -30.1939 -18.9718 -234.609 PRESSAVG: 3477000 43.8922 -42.8714 -51.9504 -42.8715 -58.8183 3.93041 -51.9505 3.93045 -15.3652 GPRESSAVG: 3477000 43.025 -42.0645 -53.1206 -45.3642 -58.6348 3.65296 -52.0535 2.76401 -13.916 TIMING: 3477000 CPU: 10986.3, 0.00317806/step Wall: 10986.3, 0.00317806/step, 1.3445 hours remaining, 235.921875 MB of memory in use. ENERGY: 3477000 4014.7456 20642.3034 14434.5552 270.2927 -203471.9916 2602.0728 0.0000 0.0000 51924.4071 -109583.6147 298.4103 -161508.0219 -109209.5000 298.7675 -121.5361 -92.1046 759784.4488 -10.0971 -9.8419 PRESSURE: 3477200 -84.4301 -88.7564 26.5804 -88.755 -164.079 76.1444 26.5806 76.1443 -199.978 GPRESSURE: 3477200 -126.446 -52.6505 64.801 -71.5075 -62.1906 99.3198 78.9966 39.8867 -182.324 PRESSAVG: 3477200 49.3082 0.895436 -6.48718 0.895468 -61.1646 -32.616 -6.48723 -32.616 13.5641 GPRESSAVG: 3477200 49.09 1.32026 -8.42333 0.271566 -60.7758 -31.0452 -4.76757 -33.3658 12.8559 TIMING: 3477200 CPU: 10986.9, 0.00316815/step Wall: 10986.9, 0.00316815/step, 1.34013 hours remaining, 235.992188 MB of memory in use. ENERGY: 3477200 3903.3133 20617.0769 14391.4328 228.3331 -203543.2629 2588.5262 0.0000 0.0000 52186.3292 -109628.2515 299.9156 -161814.5807 -109259.5724 299.1077 -149.4957 -123.6533 761586.3372 0.5692 0.3900 PRESSURE: 3477400 -53.4238 -58.6425 -110.139 -58.6433 -69.0749 -111.05 -110.14 -111.05 78.4245 GPRESSURE: 3477400 15.1313 -97.7867 -87.7457 -63.5674 -130.207 -122.353 -161.368 -47.8462 161.48 PRESSAVG: 3477400 19.6273 -36.4756 -47.5735 -36.4756 0.646356 42.3724 -47.5735 42.3724 5.33931 GPRESSAVG: 3477400 20.0993 -35.9338 -44.0318 -34.5658 0.551091 41.6419 -47.0013 43.0221 5.06027 TIMING: 3477400 CPU: 10987.6, 0.00317306/step Wall: 10987.6, 0.00317306/step, 1.34203 hours remaining, 235.992188 MB of memory in use. ENERGY: 3477400 3969.4417 20563.4455 14434.3850 230.2376 -203445.4769 2588.8527 0.0000 0.0000 52039.3452 -109619.7692 299.0708 -161659.1144 -109266.7227 298.8780 -14.6914 15.4683 761605.5772 8.5377 8.5702 PRESSURE: 3477600 495.597 60.7444 -26.0142 60.7446 521.843 71.4697 -26.0131 71.4701 42.8795 GPRESSURE: 3477600 538.083 1.8663 -56.385 -0.577874 552.535 58.7043 -5.12858 2.35352 54.5572 PRESSAVG: 3477600 -3.95931 -26.7355 -11.4528 -26.7356 42.146 13.4023 -11.4528 13.4023 6.49898 GPRESSAVG: 3477600 -3.22526 -27.8387 -13.5617 -27.8137 42.0998 14.5982 -11.533 11.3608 6.11929 TIMING: 3477600 CPU: 10988.2, 0.00319109/step Wall: 10988.2, 0.00319109/step, 1.34948 hours remaining, 235.992188 MB of memory in use. ENERGY: 3477600 3966.9897 20620.9981 14328.7147 239.9831 -203711.0945 2727.1458 0.0000 0.0000 52172.3939 -109654.8693 299.8355 -161827.2632 -109293.7775 299.1222 353.4401 381.7252 761491.5816 14.8952 14.9979 PRESSURE: 3477800 -183.317 -106.332 -12.1672 -106.332 122.149 135.148 -12.1665 135.148 -17.3496 GPRESSURE: 3477800 -162.245 -9.23012 -14.2883 -97.1586 105.523 142.281 -116.067 64.4853 36.9764 PRESSAVG: 3477800 55.3551 -40.5666 -7.9729 -40.5666 -122.821 4.81465 -7.97285 4.81461 6.38661 GPRESSAVG: 3477800 55.5582 -40.6132 -7.29629 -42.1795 -123.009 3.39473 -9.82518 8.1114 6.72779 TIMING: 3477800 CPU: 10988.8, 0.0031776/step Wall: 10988.8, 0.00317759/step, 1.34359 hours remaining, 235.992188 MB of memory in use. ENERGY: 3477800 4049.2781 20617.3563 14383.0124 250.3904 -204088.8917 2793.0775 0.0000 0.0000 52347.9880 -109647.7890 300.8446 -161995.7770 -109277.5850 298.6544 -26.1726 -6.5819 761299.8260 -20.3596 -20.2412 PRESSURE: 3478000 20.5038 -58.3593 38.8059 -58.3593 355.012 -30.4176 38.8068 -30.4183 -195.784 GPRESSURE: 3478000 101.794 -102.694 29.7 -79.9971 330.967 -4.36823 20.4028 -106.616 -146.968 PRESSAVG: 3478000 25.3494 -21.8261 -9.02473 -21.8261 -42.9827 22.6942 -9.02466 22.6942 -13.3611 GPRESSAVG: 3478000 25.9707 -20.9594 -8.01155 -20.749 -42.5049 23.3668 -10.8946 20.978 -13.7984 TIMING: 3478000 CPU: 10989.5, 0.0031681/step Wall: 10989.5, 0.0031681/step, 1.3394 hours remaining, 235.992188 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: 3478000 3935.0918 20558.6219 14443.4044 242.6993 -203452.8031 2574.7344 0.0000 0.0000 51905.0440 -109793.2072 298.2990 -161698.2512 -109429.2134 299.3696 59.9105 95.2641 761925.2363 -10.3315 -10.1108 PRESSURE: 3478200 -77.0777 67.2102 225.41 67.2097 -61.8584 157.574 225.41 157.576 89.6157 GPRESSURE: 3478200 -44.4534 37.4954 293.897 35.5112 -71.8625 106.145 303.386 184.674 148.24 PRESSAVG: 3478200 37.386 -102.433 -47.396 -102.433 -19.7618 40.2672 -47.396 40.2672 -14.952 GPRESSAVG: 3478200 36.5697 -102.823 -46.3454 -103.02 -20.4108 39.3223 -45.0309 42.147 -13.3855 TIMING: 3478200 CPU: 10990.1, 0.00319021/step Wall: 10990.1, 0.00319021/step, 1.34857 hours remaining, 235.992188 MB of memory in use. ENERGY: 3478200 4072.4855 20558.4811 14349.2915 257.6746 -203948.2615 2809.7118 0.0000 0.0000 51998.3621 -109902.2550 298.8353 -161900.6171 -109540.8125 298.9503 -16.4402 10.6414 760140.2594 0.8907 0.9245 PRESSURE: 3478400 76.8774 -195.255 -224.418 -195.255 -284.822 -56.4231 -224.417 -56.4234 -327.886 GPRESSURE: 3478400 54.5881 -88.1141 -320.733 -189.463 -179.489 -48.3734 -155.675 -78.0314 -352.829 PRESSAVG: 3478400 54.4287 -89.7998 -30.1173 -89.7998 -33.0005 38.6657 -30.1173 38.6657 -13.3898 GPRESSAVG: 3478400 55.1275 -91.762 -31.982 -88.091 -32.9237 39.3391 -28.9327 37.3453 -13.7667 TIMING: 3478400 CPU: 10990.7, 0.00319514/step Wall: 10990.7, 0.00319514/step, 1.35048 hours remaining, 235.992188 MB of memory in use. ENERGY: 3478400 4043.1723 20583.9790 14460.0789 257.9408 -203788.8583 2602.8900 0.0000 0.0000 51972.3631 -109868.4342 298.6859 -161840.7972 -109507.1364 299.1963 -178.6099 -159.2432 761788.6817 2.6795 2.8124 PRESSURE: 3478600 119.029 -94.0742 -22.477 -94.075 35.8111 -141.798 -22.4763 -141.797 106.895 GPRESSURE: 3478600 99.5203 -97.0019 95.4425 -43.0319 36.3875 -224.681 -95.3592 -211.045 190.102 PRESSAVG: 3478600 46.2724 -84.3627 -35.8059 -84.3628 -39.5326 -1.41979 -35.8059 -1.41981 27.8611 GPRESSAVG: 3478600 46.7052 -83.8287 -36.0932 -84.6409 -39.9847 -3.18684 -36.8884 0.0239149 27.9565 TIMING: 3478600 CPU: 10991.4, 0.00317541/step Wall: 10991.4, 0.00317541/step, 1.34196 hours remaining, 235.992188 MB of memory in use. ENERGY: 3478600 4015.0330 20644.9374 14387.7337 252.0392 -203592.7609 2423.0782 0.0000 0.0000 52030.4626 -109839.4767 299.0198 -161869.9392 -109472.1493 298.7464 87.2449 108.6699 761615.5345 11.5336 11.5590 PRESSURE: 3478800 240.867 154.825 -182.334 154.824 -375.063 13.1873 -182.334 13.1881 -449.292 GPRESSURE: 3478800 228.265 110.46 -234.44 114.186 -285.495 11.1899 -59.1778 204.129 -439.428 PRESSAVG: 3478800 43.8756 -44.5552 1.59625 -44.5552 -26.9198 -14.0847 1.59627 -14.0847 -19.2743 GPRESSAVG: 3478800 43.2569 -44.4091 1.5435 -44.4015 -26.0176 -13.1366 3.4718 -12.2351 -19.7998 TIMING: 3478800 CPU: 10992, 0.00319005/step Wall: 10992, 0.00319005/step, 1.34797 hours remaining, 235.992188 MB of memory in use. ENERGY: 3478800 4030.6870 20426.5462 14442.6562 260.2047 -203568.8529 2486.8182 0.0000 0.0000 52093.6091 -109828.3316 299.3827 -161921.9407 -109463.4283 298.5657 -194.4961 -165.5526 761294.4260 -0.7728 -0.8535 PRESSURE: 3479000 -115.041 -109.496 -110.585 -109.498 205.508 -26.8458 -110.586 -26.8472 -42.3263 GPRESSURE: 3479000 11.3269 -6.01613 -138.245 -49.3027 131.511 -59.2609 59.4519 23.8826 -9.02652 PRESSAVG: 3479000 5.37038 -30.1376 36.3943 -30.1376 -17.1774 21.7686 36.3943 21.7687 -15.8584 GPRESSAVG: 3479000 5.43745 -28.6265 36.2799 -31.4359 -18.7291 22.0692 35.539 18.6921 -14.7748 TIMING: 3479000 CPU: 10992.7, 0.00317419/step Wall: 10992.7, 0.00317419/step, 1.3411 hours remaining, 235.992188 MB of memory in use. ENERGY: 3479000 4017.6202 20377.2140 14457.5529 240.0358 -203437.4499 2550.8162 0.0000 0.0000 52004.8837 -109789.3272 298.8728 -161794.2108 -109424.7097 298.7851 16.0468 44.6038 759998.4771 -9.2218 -9.3555 PRESSURE: 3479200 -564.865 -151.092 -54.3328 -151.091 -260.192 272.082 -54.3322 272.081 266.577 GPRESSURE: 3479200 -456.618 -126.513 -62.6136 -91.9215 -213.53 270.732 -23.7942 260.666 204.757 PRESSAVG: 3479200 -4.69753 -44.6715 -4.39506 -44.6715 -31.3966 -14.5474 -4.39503 -14.5474 4.88461 GPRESSAVG: 3479200 -4.08009 -46.2961 -4.23471 -43.1255 -30.6157 -15.9972 -4.95828 -13.4765 3.33054 TIMING: 3479200 CPU: 10993.3, 0.00318548/step Wall: 10993.3, 0.00318548/step, 1.34569 hours remaining, 235.992188 MB of memory in use. ENERGY: 3479200 4012.1539 20292.5348 14421.5273 238.1641 -203107.9874 2206.8603 0.0000 0.0000 52305.1385 -109631.6084 300.5984 -161936.7469 -109257.0662 298.8723 -186.1604 -155.1302 762122.4358 -10.4032 -10.4551 PRESSURE: 3479400 -233.941 93.5488 -35.1052 93.5491 -67.3092 138.711 -35.1056 138.711 258.663 GPRESSURE: 3479400 -191.623 6.83005 -45.1877 24.1847 -79.5976 191.737 -3.23627 -8.25478 309.998 PRESSAVG: 3479400 -21.2144 -29.2794 27.3311 -29.2794 23.6882 -11.6396 27.3311 -11.6397 -0.499471 GPRESSAVG: 3479400 -20.2565 -28.3856 28.9877 -30.3669 21.8783 -10.0671 27.4932 -11.1802 0.534407 TIMING: 3479400 CPU: 10993.9, 0.00317799/step Wall: 10993.9, 0.00317799/step, 1.34235 hours remaining, 235.992188 MB of memory in use. ENERGY: 3479400 3973.0290 20484.7240 14426.3983 260.8233 -203538.4264 2603.2365 0.0000 0.0000 52313.0353 -109477.1800 300.6437 -161790.2153 -109108.0427 298.9433 -14.1956 12.9258 761803.5992 0.6581 0.7187 PRESSURE: 3479600 -220.663 104.114 20.9661 104.114 -323.456 -17.3618 20.9665 -17.3617 -82.2088 GPRESSURE: 3479600 -224.146 34.1871 23.3401 52.8742 -256.201 14.1618 -66.7927 -92.3891 -65.3473 PRESSAVG: 3479600 -25.1592 40.4069 -26.2388 40.4069 -7.20449 2.99665 -26.2388 2.99662 -3.66214 GPRESSAVG: 3479600 -26.8954 38.8448 -28.7569 40.7758 -6.43911 3.51756 -27.0741 1.23552 -3.05833 TIMING: 3479600 CPU: 10994.6, 0.00316387/step Wall: 10994.6, 0.00316387/step, 1.33621 hours remaining, 235.992188 MB of memory in use. ENERGY: 3479600 3942.5520 20508.2135 14410.4199 242.6028 -202992.0938 2400.3591 0.0000 0.0000 51909.2646 -109578.6819 298.3233 -161487.9465 -109222.7609 298.4605 -208.7759 -181.8982 762996.6784 -12.0086 -12.1309 PRESSURE: 3479800 -102.943 126.284 -246.92 126.284 -48.6252 9.77747 -246.921 9.77749 -450.093 GPRESSURE: 3479800 -24.4436 9.05424 -309.504 114.383 22.6993 3.85887 -236.948 112.762 -513.378 PRESSAVG: 3479800 21.3025 -23.0296 -40.5754 -23.0296 -26.0989 -52.6678 -40.5754 -52.6679 -8.58445 GPRESSAVG: 3479800 21.146 -21.9141 -38.1405 -24.3861 -24.6581 -53.272 -41.0371 -52.7934 -9.32267 TIMING: 3479800 CPU: 10995.2, 0.00316757/step Wall: 10995.2, 0.00316757/step, 1.3376 hours remaining, 235.992188 MB of memory in use. ENERGY: 3479800 4074.1682 20550.1401 14487.5192 229.8839 -203405.1667 2616.0004 0.0000 0.0000 51972.4134 -109475.0415 298.6862 -161447.4549 -109115.4958 299.4997 -200.5537 -171.7073 761363.0339 -4.4603 -4.2783 PRESSURE: 3480000 -68.0888 10.5454 -103.705 10.5456 55.4527 -26.9226 -103.705 -26.922 -296.462 GPRESSURE: 3480000 -82.0008 -49.7245 -119.143 30.0404 50.4189 -137.609 -19.4618 -99.3377 -188.485 PRESSAVG: 3480000 27.3302 -28.4338 -42.7847 -28.4338 -35.8563 -21.0056 -42.7847 -21.0056 4.94855 GPRESSAVG: 3480000 26.6285 -27.8426 -43.5166 -27.1347 -36.1074 -22.022 -42.3773 -18.6433 5.5441 TIMING: 3480000 CPU: 10995.8, 0.00316582/step Wall: 10995.8, 0.00316582/step, 1.33668 hours remaining, 235.992188 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: 3480000 3946.1071 20545.8978 14563.8934 280.7070 -203480.5472 2539.8933 0.0000 0.0000 52277.0579 -109326.9907 300.4370 -161604.0486 -108956.1484 299.7700 -103.0326 -73.3555 760988.5854 -1.1925 -1.3116 PRESSURE: 3480200 -290.705 -150.24 -68.2425 -150.24 -327.41 17.9864 -68.2422 17.9863 493.756 GPRESSURE: 3480200 -291.469 -80.4965 -117.298 -72.6506 -229.263 -42.9493 -187.134 37.3514 473.317 PRESSAVG: 3480200 36.2914 -24.2872 -76.8121 -24.2872 10.5299 -44.7315 -76.8121 -44.7315 -0.715744 GPRESSAVG: 3480200 35.8425 -25.8559 -78.7478 -22.8934 11.5152 -42.7562 -75.4445 -47.0416 -1.76458 TIMING: 3480200 CPU: 10996.5, 0.00316358/step Wall: 10996.5, 0.00316358/step, 1.33556 hours remaining, 235.992188 MB of memory in use. ENERGY: 3480200 3862.6283 20674.0516 14436.0380 268.7175 -203514.3896 2776.9460 0.0000 0.0000 52092.1137 -109403.8945 299.3741 -161496.0082 -109042.6881 298.9467 -41.4531 -15.8050 761828.2402 15.3685 15.1977 LDB: ============= START OF LOAD BALANCING ============== 11009 LDB: ============== END OF LOAD BALANCING =============== 11009 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11009 LDB: ============= START OF LOAD BALANCING ============== 11009.3 LDB: Largest compute 7030 load 0.032586 is 16.7% of average load 0.195582 LDB: Average compute 0.004382 is 2.2% of average load 0.195582 LDB: TIME 11009.3 LOAD: AVG 0.195582 MAX 0.216124 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 11009.3 LOAD: AVG 0.195582 MAX 0.216124 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: TIME 11009.3 LOAD: AVG 0.195582 MAX 0.216124 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.961 MB LDB: ============== END OF LOAD BALANCING =============== 11009.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11009.3 PRESSURE: 3480400 -178.791 -65.5389 -70.5631 -65.5387 -178.817 -60.7723 -70.5632 -60.7726 63.6278 GPRESSURE: 3480400 -94.9684 -79.45 -102.209 -71.2718 -128.127 -22.8796 -27.555 90.736 13.3053 PRESSAVG: 3480400 32.0219 -11.8274 0.873241 -11.8275 -18.938 18.2559 0.873263 18.2558 -7.28954 GPRESSAVG: 3480400 34.2155 -10.7743 1.48521 -13.2164 -20.0413 18.5223 2.13023 18.5788 -7.74283 TIMING: 3480400 CPU: 10997.1, 0.00323432/step Wall: 10997.1, 0.00323432/step, 1.36524 hours remaining, 234.167969 MB of memory in use. ENERGY: 3480400 3882.0074 20514.8522 14441.8364 245.0461 -203073.8831 2409.4327 0.0000 0.0000 52340.7939 -109239.9144 300.8033 -161580.7083 -108867.4255 299.5063 -97.9934 -69.9299 761891.4024 1.9315 2.1438 PRESSURE: 3480600 217.595 -97.8368 -52.6452 -97.8371 -111.863 74.6295 -52.6456 74.6309 -44.6868 GPRESSURE: 3480600 238.638 -149.793 -54.8936 -52.9682 -28.1833 137.885 20.5171 10.8363 -75.2912 PRESSAVG: 3480600 24.928 13.1523 5.22732 13.1524 -0.361885 -21.5307 5.22724 -21.5307 10.0986 GPRESSAVG: 3480600 23.7485 12.7615 4.56572 13.6519 -0.084121 -23.1041 4.4653 -21.033 11.6388 TIMING: 3480600 CPU: 10997.7, 0.00318975/step Wall: 10997.7, 0.00318975/step, 1.34625 hours remaining, 234.167969 MB of memory in use. ENERGY: 3480600 4040.3653 20809.1925 14413.2942 236.4229 -203526.8464 2834.7053 0.0000 0.0000 51987.5980 -109205.2681 298.7734 -161192.8662 -108853.1488 299.7235 20.3484 45.0546 762821.1103 11.5549 11.7677 PRESSURE: 3480800 -123.702 175.414 105.366 175.413 272.735 45.7728 105.366 45.774 -85.8201 GPRESSURE: 3480800 -122.312 220.468 158.763 -5.3837 313.548 24.3006 -53.3041 81.4825 -32.391 PRESSAVG: 3480800 47.1009 16.6439 22.4895 16.6439 -24.3341 -34.6463 22.4895 -34.6463 -17.6013 GPRESSAVG: 3480800 46.5633 17.8588 22.91 15.0277 -23.2595 -35.7387 20.6387 -34.7582 -18.7551 TIMING: 3480800 CPU: 10998.4, 0.00316547/step Wall: 10998.4, 0.00316547/step, 1.33583 hours remaining, 234.167969 MB of memory in use. ENERGY: 3480800 4085.3536 20508.6879 14432.8610 253.7467 -203004.8411 2364.1842 0.0000 0.0000 52207.7665 -109152.2411 300.0388 -161360.0076 -108772.6341 299.6060 21.0709 52.9484 761668.3195 1.7218 1.5162 PRESSURE: 3481000 -275.164 -111.639 70.2727 -111.638 233.405 -97.9749 70.2717 -97.9761 36.4922 GPRESSURE: 3481000 -128.687 -163.995 34.4646 48.5587 282.516 -115.16 -15.7543 -95.5507 -62.134 PRESSAVG: 3481000 -32.9969 51.7544 25.4356 51.7545 -0.631743 -54.5844 25.4357 -54.5843 23.7833 GPRESSAVG: 3481000 -32.592 48.136 25.9925 54.9878 -1.55645 -52.723 26.4445 -56.3322 24.4514 TIMING: 3481000 CPU: 10999, 0.0031784/step Wall: 10999, 0.0031784/step, 1.34111 hours remaining, 234.167969 MB of memory in use. ENERGY: 3481000 3989.2453 20478.4651 14422.4183 255.3957 -203298.2546 2854.2131 0.0000 0.0000 52118.2447 -109180.2723 299.5243 -161298.5170 -108814.6212 299.6032 -1.7557 30.5651 761546.9795 -3.2818 -3.2323 PRESSURE: 3481200 -362.15 205.982 -166.324 205.983 60.0396 -86.3214 -166.323 -86.3213 -7.62269 GPRESSURE: 3481200 -247.528 260.902 -216.406 80.7617 48.5663 -16.3779 -29.5678 -45.8973 -10.8535 PRESSAVG: 3481200 -48.5166 -30.8543 6.49882 -30.8542 27.23 -3.51642 6.49874 -3.5165 -14.3769 GPRESSAVG: 3481200 -48.3741 -28.9707 7.12709 -32.2798 27.474 -2.95577 7.7544 -2.37957 -14.8705 TIMING: 3481200 CPU: 10999.6, 0.00314792/step Wall: 10999.6, 0.00314792/step, 1.32807 hours remaining, 234.359375 MB of memory in use. ENERGY: 3481200 3953.0633 20364.5590 14463.2277 238.0326 -202899.8355 2463.3913 0.0000 0.0000 52389.7035 -109027.8581 301.0843 -161417.5616 -108659.6645 299.5162 -103.2443 -69.9382 763555.3505 -11.8878 -11.9235 PRESSURE: 3481400 193.595 -266.161 -82.6542 -266.161 259.94 -409.958 -82.6543 -409.959 -135.231 GPRESSURE: 3481400 189.771 -292.679 52.2303 -194.66 267.221 -353.707 -100.254 -309.259 -77.4121 PRESSAVG: 3481400 14.8482 -6.46029 -1.55891 -6.46032 32.436 -13.2637 -1.55901 -13.2637 -9.03315 GPRESSAVG: 3481400 13.8026 -8.49953 -2.38532 -7.54432 32.2369 -15.6002 -2.1603 -12.0199 -8.40718 TIMING: 3481400 CPU: 11000.3, 0.00314936/step Wall: 11000.3, 0.00314936/step, 1.32851 hours remaining, 234.371094 MB of memory in use. ENERGY: 3481400 3984.6695 20781.6737 14474.7644 247.9789 -203637.3016 2749.2704 0.0000 0.0000 52104.8726 -109294.0721 299.4474 -161398.9447 -108924.0719 299.9109 106.1013 126.5263 762304.4085 12.7504 12.5441 PRESSURE: 3481600 33.5724 30.1952 260.462 30.1956 -282.006 -16.1361 260.462 -16.1346 -294.133 GPRESSURE: 3481600 31.6919 85.135 270.276 -64.495 -224.57 -13.6052 222.137 -51.1995 -253.65 PRESSAVG: 3481600 -3.78003 -69.4497 -8.0621 -69.4498 -2.4012 6.06705 -8.06208 6.06698 25.0035 GPRESSAVG: 3481600 -2.34856 -68.7804 -8.61088 -68.2725 -2.62939 6.60467 -7.1855 4.5599 23.8908 TIMING: 3481600 CPU: 11000.9, 0.0031614/step Wall: 11000.9, 0.0031614/step, 1.33341 hours remaining, 234.371094 MB of memory in use. ENERGY: 3481600 4024.8076 20439.9979 14511.2344 236.5284 -203512.6426 2662.3523 0.0000 0.0000 52224.0203 -109413.7017 300.1322 -161637.7219 -109033.6750 299.2496 -180.8553 -148.8426 761862.9109 6.2741 6.3043 PRESSURE: 3481800 -67.2264 -42.4098 50.9251 -42.4105 -24.0302 73.6508 50.9254 73.651 253.699 GPRESSURE: 3481800 32.4622 19.5928 51.3807 23.3968 0.811679 72.8499 79.3988 224.891 197.415 PRESSAVG: 3481800 32.995 -17.2247 -18.2738 -17.2246 -39.9051 -35.1993 -18.2738 -35.1993 27.1227 GPRESSAVG: 3481800 30.8544 -18.1377 -17.7981 -16.8607 -37.9761 -34.6105 -19.1545 -33.6711 27.4524 TIMING: 3481800 CPU: 11001.5, 0.00315184/step Wall: 11001.5, 0.00315184/step, 1.3292 hours remaining, 234.371094 MB of memory in use. ENERGY: 3481800 3995.3206 20615.3899 14564.0557 247.1987 -203175.9370 2439.8093 0.0000 0.0000 51883.6205 -109430.5424 298.1759 -161314.1629 -109066.6805 299.2775 54.1475 76.8963 761702.7317 6.7375 6.7769 PRESSURE: 3482000 8.02608 -107.832 209.067 -107.833 204.387 53.281 209.067 53.281 105.145 GPRESSURE: 3482000 129.69 -30.6512 251.372 -37.1272 133.345 50.3463 189.853 84.4692 154.5 PRESSAVG: 3482000 3.55046 -8.19701 -18.0264 -8.19697 15.2991 -9.85196 -18.0264 -9.85194 -2.13062 GPRESSAVG: 3482000 4.59048 -6.63872 -18.3974 -6.54062 13.9219 -10.7461 -18.7207 -9.62804 -1.29695 TIMING: 3482000 CPU: 11002.2, 0.00316207/step Wall: 11002.2, 0.00316207/step, 1.33334 hours remaining, 234.371094 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: 3482000 4006.6210 20525.9909 14399.7272 240.8884 -203468.2297 2783.8850 0.0000 0.0000 52303.5769 -109207.5402 300.5894 -161511.1171 -108846.3159 299.8709 105.8529 139.1783 761676.7452 5.5730 5.7385 PRESSURE: 3482200 366.524 49.6095 -240.349 49.6101 -10.0388 13.6785 -240.349 13.6783 44.6696 GPRESSURE: 3482200 253.05 131.69 -314.956 -28.3007 105.908 148.395 -233.728 28.6001 113.574 PRESSAVG: 3482200 16.2 -52.6365 -2.00432 -52.6365 3.34031 -45.5201 -2.00426 -45.5202 -4.81928 GPRESSAVG: 3482200 16.7166 -52.8199 -1.06687 -53.5176 3.86657 -45.4628 -1.46956 -48.5441 -5.27125 TIMING: 3482200 CPU: 11002.8, 0.00314215/step Wall: 11002.8, 0.00314215/step, 1.32477 hours remaining, 234.371094 MB of memory in use. ENERGY: 3482200 3965.7433 20706.1606 14431.0912 258.0806 -203165.8006 2568.0258 0.0000 0.0000 52093.3297 -109143.3693 299.3811 -161236.6990 -108775.7531 300.1317 133.7184 157.5108 761280.8156 4.9070 5.1040 PRESSURE: 3482400 194.866 19.8441 -54.8078 19.8445 431.434 218.007 -54.8076 218.007 260.428 GPRESSURE: 3482400 224.156 7.59421 -123 -4.71685 437.214 205.439 -87.4794 232.811 305.517 PRESSAVG: 3482400 11.7265 14.2344 -27.1518 14.2344 3.48918 12.7408 -27.1519 12.7409 1.68862 GPRESSAVG: 3482400 9.8154 16.2897 -26.7673 13.4134 4.87943 12.6295 -27.2521 15.9415 2.48459 TIMING: 3482400 CPU: 11003.4, 0.00314515/step Wall: 11003.4, 0.00314515/step, 1.32585 hours remaining, 234.371094 MB of memory in use. ENERGY: 3482400 4001.2772 20653.3008 14453.4590 236.4558 -203879.3803 2785.1628 0.0000 0.0000 52334.6023 -109415.1225 300.7677 -161749.7248 -109055.1098 299.6960 295.5760 322.2958 761331.4190 5.6348 5.7265 PRESSURE: 3482600 -96.1577 -57.4827 177.081 -57.4818 -17.6888 -91.4035 177.081 -91.4038 185.506 GPRESSURE: 3482600 -91.8395 -67.9445 143.017 -50.5969 27.6092 -163.916 43.8814 -101.65 205.918 PRESSAVG: 3482600 9.7316 48.6163 -22.7977 48.6163 2.79536 9.23617 -22.7977 9.23614 16.3379 GPRESSAVG: 3482600 11.3031 47.5447 -24.0646 49.4602 1.42005 8.6176 -23.7824 6.83716 16.1857 TIMING: 3482600 CPU: 11004.1, 0.00316864/step Wall: 11004.1, 0.00316864/step, 1.33558 hours remaining, 234.371094 MB of memory in use. ENERGY: 3482600 3947.2109 20775.4970 14413.8611 220.4976 -203422.3612 2606.5466 0.0000 0.0000 52158.0566 -109300.6914 299.7531 -161458.7481 -108938.1602 299.2147 23.8864 47.2293 762068.6034 9.6216 9.6363 PRESSURE: 3482800 177.836 -38.1418 11.818 -38.1422 52.1564 -90.6044 11.8176 -90.6039 79.068 GPRESSURE: 3482800 149.543 -52.8348 19.6839 -146.137 163.037 -42.2815 -10.8533 24.1892 65.8723 PRESSAVG: 3482800 -6.90413 -31.217 2.8177 -31.217 15.5195 7.60781 2.8177 7.60772 -0.621435 GPRESSAVG: 3482800 -7.62906 -33.2607 2.43216 -32.8683 16.7978 10.7235 3.72526 7.65218 -0.911306 TIMING: 3482800 CPU: 11004.7, 0.00316716/step Wall: 11004.7, 0.00316716/step, 1.33478 hours remaining, 234.371094 MB of memory in use. ENERGY: 3482800 3977.8651 20572.0188 14442.1179 244.2092 -203276.3110 2819.1351 0.0000 0.0000 51868.9355 -109352.0294 298.0915 -161220.9649 -108989.6329 299.6217 103.0203 126.1507 763229.3078 2.6647 2.7525 PRESSURE: 3483000 237.924 -143.09 -291.638 -143.09 45.7856 -15.5936 -291.637 -15.5934 314.422 GPRESSURE: 3483000 367.939 -47.7421 -275.1 -75.2947 -23.6895 -8.74633 -150.79 -59.1204 342.793 PRESSAVG: 3483000 -58.6623 -48.6997 23.9347 -48.6996 33.0923 -30.9063 23.9347 -30.9063 -2.46538 GPRESSAVG: 3483000 -57.5563 -49.2714 25.1034 -48.4297 31.426 -33.6107 24.0454 -29.9086 -2.03421 TIMING: 3483000 CPU: 11005.3, 0.0031606/step Wall: 11005.3, 0.0031606/step, 1.33184 hours remaining, 234.371094 MB of memory in use. ENERGY: 3483000 3956.2953 20582.8549 14480.3715 238.2588 -203344.9608 2555.5695 0.0000 0.0000 52223.9395 -109307.6713 300.1317 -161531.6108 -108952.4956 299.2795 199.3773 229.0142 760601.9762 -9.3451 -9.3882 PRESSURE: 3483200 157.286 134.781 -98.4734 134.781 -266.06 188.206 -98.4731 188.206 -183.587 GPRESSURE: 3483200 150.793 99.8983 -50.2052 151.34 -213.688 153.099 -26.831 155.87 -152.345 PRESSAVG: 3483200 12.1345 -50.2266 -14.5921 -50.2266 24.2167 -30.234 -14.5921 -30.2339 13.9312 GPRESSAVG: 3483200 11.3901 -48.2545 -15.6583 -49.2947 24.4466 -29.4839 -13.6496 -30.9866 14.4645 TIMING: 3483200 CPU: 11006, 0.00319088/step Wall: 11006, 0.00319088/step, 1.34443 hours remaining, 234.371094 MB of memory in use. ENERGY: 3483200 4020.2477 20365.2282 14494.0811 234.6201 -203016.9325 2361.9568 0.0000 0.0000 52186.3898 -109354.4088 299.9159 -161540.7987 -108988.9292 299.4785 -97.4538 -71.7469 762365.0391 16.7608 16.7671 PRESSURE: 3483400 -193.609 -183.428 45.0616 -183.429 426.723 56.3653 45.0604 56.365 318.595 GPRESSURE: 3483400 -82.6853 -122.818 114.757 -75.9191 464.351 33.8505 14.1805 12.7613 268.786 PRESSAVG: 3483400 22.0666 -0.59432 10.1811 -0.594239 -4.81586 -5.84168 10.1811 -5.84164 -4.65252 GPRESSAVG: 3483400 22.6616 -1.07242 10.326 -0.750998 -5.08801 -7.18793 7.7157 -5.2055 -5.56667 TIMING: 3483400 CPU: 11006.6, 0.003208/step Wall: 11006.6, 0.003208/step, 1.35146 hours remaining, 234.371094 MB of memory in use. ENERGY: 3483400 3962.8006 20606.9248 14480.7617 251.8029 -202965.7333 2563.7896 0.0000 0.0000 51951.4220 -109148.2318 298.5655 -161099.6537 -108790.3795 299.9332 183.9029 216.8171 762044.9715 4.1994 4.0023 PRESSURE: 3483600 125.835 130.302 98.1887 130.301 -203.319 -15.3848 98.1879 -15.3852 -168.537 GPRESSURE: 3483600 57.4552 12.2402 178.064 18.2283 -98.2714 7.8108 60.824 -71.7487 -115.746 PRESSAVG: 3483600 38.7455 -11.438 -27.248 -11.4381 -55.9093 28.5618 -27.248 28.5618 -11.1644 GPRESSAVG: 3483600 37.0554 -10.5903 -26.0167 -11.37 -55.8217 30.489 -26.1052 28.4166 -9.59557 TIMING: 3483600 CPU: 11007.2, 0.00319193/step Wall: 11007.2, 0.00319193/step, 1.34451 hours remaining, 234.371094 MB of memory in use. ENERGY: 3483600 4028.2253 20574.6163 14405.5582 237.3763 -203349.4715 2701.9475 0.0000 0.0000 52294.3997 -109107.3483 300.5366 -161401.7480 -108742.7196 299.7239 -82.0070 -52.1873 761648.4185 -9.4427 -9.4539 PRESSURE: 3483800 -129.059 -233.025 -19.2907 -233.026 -201.107 -157.399 -19.2896 -157.399 -479.94 GPRESSURE: 3483800 -123.598 -149.92 -48.5474 -212.984 -84.7154 -155.873 162.765 -114.736 -540.66 PRESSAVG: 3483800 6.17969 -66.8062 5.13644 -66.8062 9.05191 0.677705 5.13642 0.677689 14.1035 GPRESSAVG: 3483800 6.71552 -66.7438 4.11047 -66.4668 8.36072 0.709464 3.91244 0.768633 14.1833 TIMING: 3483800 CPU: 11007.9, 0.00317366/step Wall: 11007.9, 0.00317366/step, 1.33664 hours remaining, 234.371094 MB of memory in use. ENERGY: 3483800 4166.7602 20703.2779 14462.8741 244.1358 -203747.1532 2636.8640 0.0000 0.0000 52480.4640 -109052.7772 301.6059 -161533.2412 -108686.1252 300.1163 -270.0353 -249.6577 761885.3759 9.7784 9.7532 PRESSURE: 3484000 86.0233 -12.476 -371.102 -12.4758 260.074 -193.223 -371.102 -193.223 162.719 GPRESSURE: 3484000 103.147 -55.2021 -295.261 7.61727 340.862 -126.489 -285.048 -236.19 149.286 PRESSAVG: 3484000 3.54789 -21.2946 -14.4933 -21.2946 23.2713 -93.6448 -14.4933 -93.6448 -2.02729 GPRESSAVG: 3484000 3.89689 -21.3374 -14.116 -20.0215 25.0146 -95.0434 -11.7644 -94.3672 -4.08201 TIMING: 3484000 CPU: 11008.5, 0.00315466/step Wall: 11008.5, 0.00315466/step, 1.32846 hours remaining, 234.371094 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: 3484000 4002.4942 20639.7059 14458.7214 262.2622 -203234.2057 2424.0448 0.0000 0.0000 52247.3435 -109199.6337 300.2662 -161446.9773 -108836.1032 300.3995 169.6053 197.7651 759951.2240 8.2640 8.2765 PRESSURE: 3484200 -153.948 232.161 60.4111 232.161 255.863 21.8593 60.4115 21.8588 278.328 GPRESSURE: 3484200 -79.6973 147.793 -93.309 193.351 286.855 99.3589 53.8686 66.1685 273.622 PRESSAVG: 3484200 -16.5109 30.7809 69.6994 30.7809 20.575 -2.33319 69.6994 -2.33306 -9.4032 GPRESSAVG: 3484200 -16.636 29.2503 70.269 27.7866 19.6333 -1.39923 69.1823 -0.111481 -8.07853 TIMING: 3484200 CPU: 11009.2, 0.00325839/step Wall: 11009.2, 0.00325839/step, 1.37196 hours remaining, 234.371094 MB of memory in use. ENERGY: 3484200 4073.5963 20681.6151 14512.5480 236.0181 -203567.0050 2754.5809 0.0000 0.0000 51978.8881 -109329.7584 298.7234 -161308.6465 -108977.5016 300.0227 126.7476 160.2598 759593.5430 -1.7797 -1.6937 LDB: ============= START OF LOAD BALANCING ============== 11021.7 LDB: ============== END OF LOAD BALANCING =============== 11021.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11021.7 LDB: ============= START OF LOAD BALANCING ============== 11022 LDB: Largest compute 7057 load 0.032300 is 16.5% of average load 0.195599 LDB: Average compute 0.004407 is 2.3% of average load 0.195599 LDB: TIME 11022 LOAD: AVG 0.195599 MAX 0.21613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 11022 LOAD: AVG 0.195599 MAX 0.21613 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: TIME 11022 LOAD: AVG 0.195599 MAX 0.21613 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.488 MB LDB: ============== END OF LOAD BALANCING =============== 11022 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11022 PRESSURE: 3484400 -374.547 -3.19418 27.6176 -3.19436 -498.811 68.9388 27.6177 68.9385 -575.623 GPRESSURE: 3484400 -280.632 -74.8967 112.004 -139.889 -533.026 43.5329 -66.3369 -31.3854 -525.254 PRESSAVG: 3484400 16.6126 35.2013 11.0674 35.2014 -2.05051 -25.6721 11.0674 -25.6721 15.4665 GPRESSAVG: 3484400 17.8303 36.6721 10.6267 35.3956 -2.27156 -24.5114 9.17633 -26.5946 15.1382 TIMING: 3484400 CPU: 11009.8, 0.00325906/step Wall: 11009.8, 0.00325906/step, 1.37207 hours remaining, 234.679688 MB of memory in use. ENERGY: 3484400 3998.8108 20578.4434 14434.2551 243.6120 -203085.3906 2261.2254 0.0000 0.0000 52186.3332 -109382.7107 299.9156 -161569.0440 -109018.7282 299.3915 -482.9938 -446.3041 760944.7605 10.0095 10.2323 PRESSURE: 3484600 320.366 26.9103 159.882 26.91 203.005 -89.613 159.882 -89.6138 -231.146 GPRESSURE: 3484600 370.324 163.152 79.7387 34.6418 239.572 -143.056 212.134 -79.054 -236.219 PRESSAVG: 3484600 29.1431 -3.68103 36.2101 -3.68104 -22.9304 21.2874 36.2101 21.2874 8.55039 GPRESSAVG: 3484600 28.6448 -2.83943 35.118 -2.89139 -22.6308 18.6516 37.1086 20.4376 8.42249 TIMING: 3484600 CPU: 11010.4, 0.00317343/step Wall: 11010.4, 0.00317343/step, 1.33584 hours remaining, 234.679688 MB of memory in use. ENERGY: 3484600 3947.2304 20573.1093 14492.3922 248.8634 -203440.3078 2593.7385 0.0000 0.0000 52332.5495 -109252.4245 300.7559 -161584.9741 -108889.5647 300.0426 97.4085 124.5591 759406.0330 4.9210 4.8121 PRESSURE: 3484800 9.1618 66.015 145.978 66.0142 31.8903 -137.727 145.978 -137.727 3.37479 GPRESSURE: 3484800 120.041 -39.6568 130.201 -4.69867 8.35456 -141.436 125.916 -171.053 2.99428 PRESSAVG: 3484800 27.8395 -43.4395 26.7306 -43.4395 -33.5079 -13.1728 26.7307 -13.1728 29.6092 GPRESSAVG: 3484800 26.8593 -44.251 28.8354 -41.817 -33.5681 -15.1289 25.9228 -10.4508 30.4214 TIMING: 3484800 CPU: 11011.1, 0.00316488/step Wall: 11011.1, 0.00316489/step, 1.33207 hours remaining, 234.679688 MB of memory in use. ENERGY: 3484800 3956.7706 20726.1954 14391.8064 248.9223 -203126.1476 2388.8599 0.0000 0.0000 52159.0985 -109254.4946 299.7591 -161413.5931 -108892.4838 299.9906 14.8090 43.7966 760507.4035 7.9803 7.9042 PRESSURE: 3485000 32.0137 106.2 -48.992 106.2 26.1971 -78.7118 -48.9912 -78.7125 -599.516 GPRESSURE: 3485000 38.9634 86.7866 -84.3859 92.8548 78.5092 -174.564 71.8316 -58.9253 -562.549 PRESSAVG: 3485000 17.33 -36.8653 -11.4743 -36.8654 14.1529 -7.8909 -11.4743 -7.89089 -17.4388 GPRESSAVG: 3485000 18.0059 -37.7737 -13.0115 -38.7958 13.6212 -5.06249 -14.2408 -11.5291 -17.2744 TIMING: 3485000 CPU: 11011.7, 0.00317628/step Wall: 11011.7, 0.00317628/step, 1.33669 hours remaining, 234.679688 MB of memory in use. ENERGY: 3485000 3940.8216 20479.6166 14530.2778 250.5097 -202789.3424 2234.4772 0.0000 0.0000 52203.0517 -109150.5878 300.0117 -161353.6395 -108782.6941 300.0594 -180.4350 -148.3590 761466.1886 4.6814 4.7842 PRESSURE: 3485200 -163.079 -27.9063 -32.0084 -27.906 -71.1985 -161.345 -32.0099 -161.345 -315.655 GPRESSURE: 3485200 -159.967 11.157 -36.4744 -66.9758 -73.5159 -29.174 -14.5289 -73.3776 -232.561 PRESSAVG: 3485200 -47.1944 -13.7296 -25.2801 -13.7296 13.8362 76.7785 -25.2802 76.7785 39.65 GPRESSAVG: 3485200 -47.1964 -11.8221 -23.961 -12.923 14.215 78.0508 -22.3381 77.6364 39.1073 TIMING: 3485200 CPU: 11012.4, 0.00317155/step Wall: 11012.4, 0.00317155/step, 1.33452 hours remaining, 234.679688 MB of memory in use. ENERGY: 3485200 3999.6643 20641.2482 14450.3883 247.8973 -203068.5797 2236.1391 0.0000 0.0000 52025.8606 -109467.3819 298.9933 -161493.2425 -109104.3955 299.0727 -183.3109 -155.3481 760189.7372 2.0972 2.0420 PRESSURE: 3485400 -13.0282 197.378 36.1007 197.379 -339.15 56.7822 36.0999 56.7827 -92.6402 GPRESSURE: 3485400 7.13912 186.282 19.4189 184.798 -222.514 19.7656 46.4197 81.3618 -148.777 PRESSAVG: 3485400 15.5091 -15.0026 16.5733 -15.0026 -2.02899 -41.7799 16.5732 -41.7799 -8.32836 GPRESSAVG: 3485400 15.4164 -15.4786 15.6243 -16.575 -2.73995 -43.0095 18.3688 -43.9759 -8.29286 TIMING: 3485400 CPU: 11013, 0.00317306/step Wall: 11013, 0.00317306/step, 1.33498 hours remaining, 234.679688 MB of memory in use. ENERGY: 3485400 4026.2749 20472.4219 14430.6110 240.6881 -203946.7841 2901.5523 0.0000 0.0000 52273.0993 -109602.1365 300.4142 -161875.2358 -109236.3977 299.0162 -148.2728 -121.3839 761172.8201 1.7173 1.4612 PRESSURE: 3485600 517.988 -90.6456 -60.657 -90.6457 86.5695 -84.0965 -60.6571 -84.0966 165.927 GPRESSURE: 3485600 536.414 -57.2781 -130.85 67.4434 63.2041 -95.9859 -157.567 -138.107 248.212 PRESSAVG: 3485600 -19.0676 14.8259 -32.431 14.8259 -26.5632 15.0056 -32.431 15.0056 7.82518 GPRESSAVG: 3485600 -18.7846 16.1001 -33.3898 15.4513 -26.1027 15.314 -34.0983 16.9355 6.58225 TIMING: 3485600 CPU: 11013.6, 0.00318392/step Wall: 11013.6, 0.00318393/step, 1.33937 hours remaining, 234.679688 MB of memory in use. ENERGY: 3485600 3946.7904 20435.8982 14481.4198 226.4399 -203444.4393 2792.2123 0.0000 0.0000 51881.1397 -109680.5390 298.1616 -161561.6787 -109329.1338 298.7727 256.8282 282.6099 760626.1841 -12.6019 -12.7683 PRESSURE: 3485800 -295.629 11.7131 -221.63 11.7132 22.7443 287.626 -221.63 287.626 -460.499 GPRESSURE: 3485800 -242.803 -37.2128 -167.448 -10.539 -0.989015 295.512 -244.263 159.657 -420.705 PRESSAVG: 3485800 16.2858 6.45056 -25.2175 6.45057 17.3539 11.1706 -25.2175 11.1707 13.3657 GPRESSAVG: 3485800 15.4263 3.31724 -25.063 7.08596 17.1546 11.919 -23.7763 10.3367 14.2891 TIMING: 3485800 CPU: 11014.3, 0.00317105/step Wall: 11014.3, 0.00317105/step, 1.33378 hours remaining, 234.679688 MB of memory in use. ENERGY: 3485800 3928.6272 20483.4104 14451.7829 238.7877 -203488.4542 2609.6690 0.0000 0.0000 52019.7137 -109756.4633 298.9580 -161776.1770 -109376.4305 298.9569 -244.4610 -221.4992 761758.9027 15.6685 15.6233 PRESSURE: 3486000 -14.9447 60.8108 -43.1867 60.8116 124.985 69.6555 -43.1865 69.6556 581.174 GPRESSURE: 3486000 85.5975 68.2945 -38.475 9.85103 74.5626 6.244 70.6077 79.9473 612.318 PRESSAVG: 3486000 34.4964 17.8869 -26.4456 17.8869 -32.3246 -18.2506 -26.4455 -18.2505 17.4742 GPRESSAVG: 3486000 35.0052 18.9905 -24.9476 17.1739 -32.8751 -19.6539 -27.8335 -16.1715 17.7611 TIMING: 3486000 CPU: 11014.9, 0.00316263/step Wall: 11014.9, 0.00316263/step, 1.33006 hours remaining, 234.679688 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: 3486000 4024.7635 20540.2479 14391.2278 250.2036 -203374.4585 2632.4311 0.0000 0.0000 51989.9764 -109545.6083 298.7871 -161535.5847 -109195.6587 299.0407 230.4048 257.4928 759363.9187 6.5487 6.6304 PRESSURE: 3486200 290.955 -43.3259 182.594 -43.325 135.292 134.204 182.593 134.204 91.3423 GPRESSURE: 3486200 209.074 -7.2265 99.5106 -51.2544 256.048 116.293 24.7715 78.4433 113.121 PRESSAVG: 3486200 -9.96064 33.284 -40.3801 33.284 -18.3414 56.6675 -40.3802 56.6674 -3.71274 GPRESSAVG: 3486200 -11.389 33.1993 -40.9024 32.931 -17.8076 57.6055 -38.1231 55.2333 -3.48748 TIMING: 3486200 CPU: 11015.5, 0.00315805/step Wall: 11015.5, 0.00315805/step, 1.32796 hours remaining, 234.679688 MB of memory in use. ENERGY: 3486200 3918.4473 20427.7445 14451.8078 219.6614 -203031.3732 2551.9675 0.0000 0.0000 51997.8159 -109463.9288 298.8322 -161461.7447 -109104.0247 299.1609 172.5299 192.7478 761977.4373 -10.6716 -10.8947 PRESSURE: 3486400 264.219 -62.322 -81.7048 -62.3229 -289.048 23.624 -81.7044 23.6225 -592.573 GPRESSURE: 3486400 307.713 32.8004 -43.2197 -49.244 -204.801 82.8365 -122.654 92.0356 -606.539 PRESSAVG: 3486400 42.9499 -28.6805 5.62423 -28.6805 -36.7494 2.2279 5.62427 2.22783 0.536987 GPRESSAVG: 3486400 42.7966 -28.9403 5.68797 -28.5517 -36.1537 3.39017 5.15256 0.231491 0.530294 TIMING: 3486400 CPU: 11016.2, 0.0031599/step Wall: 11016.2, 0.0031599/step, 1.32856 hours remaining, 234.679688 MB of memory in use. ENERGY: 3486400 3988.8938 20449.1668 14400.1047 241.7932 -202887.4987 2452.5691 0.0000 0.0000 51814.0529 -109540.9181 297.7761 -161354.9710 -109173.3206 298.9666 -205.8003 -167.8757 763579.8513 2.2458 2.3911 PRESSURE: 3486600 -228.748 -1.71924 -79.7164 -1.71907 -72.9911 302.981 -79.716 302.98 -399.612 GPRESSURE: 3486600 -185.561 27.5625 -79.143 -83.9547 -84.278 300.1 -130.721 244.874 -346.937 PRESSAVG: 3486600 25.2182 -53.0464 -13.2563 -53.0464 1.85847 52.9525 -13.2563 52.9525 -17.8157 GPRESSAVG: 3486600 27.2077 -52.8529 -13.3034 -53.1729 -0.181298 51.8327 -14.9742 54.7216 -17.266 TIMING: 3486600 CPU: 11016.8, 0.00319614/step Wall: 11016.8, 0.00319614/step, 1.34362 hours remaining, 234.679688 MB of memory in use. ENERGY: 3486600 4077.9638 20539.8382 14456.8271 239.4689 -203063.6701 2376.3998 0.0000 0.0000 51940.7530 -109432.4192 298.5042 -161373.1722 -109070.6910 299.1260 -233.7839 -205.5918 760941.6516 3.0870 3.2535 PRESSURE: 3486800 75.7936 -122.34 -244.247 -122.34 -296.985 287.517 -244.247 287.516 -165.088 GPRESSURE: 3486800 134.278 -38.7717 -222.234 -155.875 -263.16 319.976 -204.732 146.881 -176.571 PRESSAVG: 3486800 48.3155 -16.4187 -33.8079 -16.4187 -15.7143 -15.5976 -33.8079 -15.5977 -5.85582 GPRESSAVG: 3486800 47.0453 -17.0144 -33.0261 -15.6945 -14.4558 -13.5225 -31.3751 -16.17 -6.03039 TIMING: 3486800 CPU: 11017.4, 0.00319551/step Wall: 11017.4, 0.00319551/step, 1.34318 hours remaining, 234.679688 MB of memory in use. ENERGY: 3486800 4022.6205 20503.6690 14429.1217 255.4194 -202991.5665 2209.8417 0.0000 0.0000 51801.8173 -109769.0770 297.7058 -161570.8943 -109408.6396 298.7697 -128.7599 -101.8178 760893.9032 8.9151 8.8530 PRESSURE: 3487000 -246.518 52.8612 170.838 52.8612 -214.023 120.878 170.837 120.878 -436.478 GPRESSURE: 3487000 -131.437 131.283 112.308 -18.1553 -250.523 183.519 247.746 125.129 -420.963 PRESSAVG: 3487000 6.53714 33.7212 27.7064 33.7213 33.3474 35.9924 27.7065 35.9923 32.8198 GPRESSAVG: 3487000 6.89582 34.5851 27.6437 34.4488 33.057 34.0421 27.3959 36.7091 33.3127 TIMING: 3487000 CPU: 11018.1, 0.0031631/step Wall: 11018.1, 0.0031631/step, 1.32938 hours remaining, 234.679688 MB of memory in use. ENERGY: 3487000 4058.7769 20504.8477 14384.8107 254.3709 -203401.9170 2577.1448 0.0000 0.0000 51801.9298 -109820.0362 297.7064 -161621.9659 -109460.4392 298.7204 -299.0061 -267.6411 761699.4436 24.2348 24.4219 PRESSURE: 3487200 500.435 -32.4817 225.372 -32.4817 12.0254 -58.2053 225.372 -58.2049 -212.786 GPRESSURE: 3487200 454.751 -36.6676 307.982 -96.0228 45.7845 -162.458 141.47 127.51 -124.882 PRESSAVG: 3487200 -3.68223 -6.42847 45.0761 -6.42846 -16.3199 66.7107 45.0761 66.7106 -11.2278 GPRESSAVG: 3487200 -4.6669 -8.03223 43.9658 -9.95001 -16.476 66.4786 44.1013 66.6066 -10.3421 TIMING: 3487200 CPU: 11018.7, 0.00317368/step Wall: 11018.7, 0.00317368/step, 1.33365 hours remaining, 234.679688 MB of memory in use. ENERGY: 3487200 3977.2662 20399.8059 14419.8164 243.3330 -203779.2704 2873.3386 0.0000 0.0000 52016.2518 -109849.4586 298.9381 -161865.7104 -109481.1931 298.6847 99.8915 125.2178 761503.8809 -10.4100 -10.4950 PRESSURE: 3487400 359.613 140.366 72.3478 140.366 -35.7297 -10.3379 72.348 -10.338 -380.866 GPRESSURE: 3487400 367.693 151.644 155.426 11.2456 -17.1052 9.61194 -20.5945 22.1955 -311.543 PRESSAVG: 3487400 21.4391 27.0234 22.0276 27.0234 -70.294 34.0639 22.0275 34.0639 -0.71224 GPRESSAVG: 3487400 22.6989 28.8388 22.8749 28.6544 -70.7672 35.2534 20.4216 33.992 -0.993541 TIMING: 3487400 CPU: 11019.3, 0.00317462/step Wall: 11019.3, 0.00317462/step, 1.33387 hours remaining, 234.679688 MB of memory in use. ENERGY: 3487400 3952.8220 20432.9902 14466.1254 263.6830 -204005.7286 3003.2700 0.0000 0.0000 51835.6006 -110051.2373 297.8999 -161886.8379 -109700.3833 298.7151 -18.9943 13.0148 761232.4106 -16.5224 -16.3540 PRESSURE: 3487600 -143.65 -93.0332 -13.6994 -93.0339 145.684 199.99 -13.6999 199.99 2.14165 GPRESSURE: 3487600 -18.4949 7.82819 11.3892 -116.86 115.401 157.815 -10.0762 119.709 -15.0441 PRESSAVG: 3487600 47.4742 19.7773 -9.89396 19.7773 -24.3708 38.5276 -9.89403 38.5275 -7.11256 GPRESSAVG: 3487600 46.9938 20.5756 -9.2959 18.3465 -23.8661 38.6627 -8.45563 36.2555 -7.32833 TIMING: 3487600 CPU: 11020, 0.00316978/step Wall: 11020, 0.00316978/step, 1.33166 hours remaining, 234.679688 MB of memory in use. ENERGY: 3487600 3997.4212 20344.3208 14552.2028 235.5324 -203462.9477 2522.6918 0.0000 0.0000 51905.2530 -109905.5256 298.3002 -161810.7786 -109552.1439 298.4700 1.3917 27.2872 759490.0968 5.3303 5.2665 PRESSURE: 3487800 -47.2801 372.768 47.8273 372.77 -56.4022 -28.1054 47.8285 -28.105 42.4691 GPRESSURE: 3487800 -43.4852 318.086 77.6346 393.701 -18.5704 -11.434 107.949 -152.339 62.3971 PRESSAVG: 3487800 37.4724 26.6606 74.6805 26.6607 8.22426 38.0586 74.6804 38.0586 4.27125 GPRESSAVG: 3487800 36.9662 25.2856 73.5161 28.708 7.78103 36.7181 73.9301 40.1506 4.54387 TIMING: 3487800 CPU: 11020.6, 0.00315511/step Wall: 11020.6, 0.00315511/step, 1.32532 hours remaining, 234.679688 MB of memory in use. ENERGY: 3487800 3988.7175 20612.0460 14452.5353 268.3667 -203602.1280 2639.8104 0.0000 0.0000 51888.4406 -109752.2115 298.2036 -161640.6521 -109393.4083 298.4733 -20.4044 0.1138 758752.8163 16.6560 16.4304 PRESSURE: 3488000 -62.642 121.738 209.402 121.737 -393.715 149.5 209.403 149.5 71.0861 GPRESSURE: 3488000 -31.3374 47.8985 243.542 82.4368 -305.559 96.1908 229.947 199.535 55.5644 PRESSAVG: 3488000 48.6868 -9.97809 -22.7182 -9.97806 -51.0382 -26.3792 -22.7181 -26.3791 17.7458 GPRESSAVG: 3488000 48.9726 -9.94467 -21.0464 -11.6835 -51.2603 -26.288 -22.1199 -28.046 17.381 TIMING: 3488000 CPU: 11021.2, 0.0031356/step Wall: 11021.2, 0.0031356/step, 1.31695 hours remaining, 234.679688 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: 3488000 3874.9758 20415.3852 14561.0945 260.8605 -203310.7276 2475.0486 0.0000 0.0000 51937.5149 -109785.8482 298.4856 -161723.3631 -109426.0677 298.6218 -128.4235 -93.7772 760155.1451 5.1315 5.0311 PRESSURE: 3488200 14.1853 -103.779 12.8418 -103.779 68.1282 -23.4125 12.8428 -23.4131 141.529 GPRESSURE: 3488200 -42.9668 -68.7163 1.14618 -72.0827 174.996 36.445 -61.7168 9.84776 156.533 PRESSAVG: 3488200 -21.0375 26.7836 48.8062 26.7836 -3.33853 -3.61919 48.8061 -3.61911 -21.515 GPRESSAVG: 3488200 -20.5944 28.3367 48.3684 26.8786 -3.46922 -3.87012 50.8863 -2.84305 -22.2882 TIMING: 3488200 CPU: 11021.9, 0.00315545/step Wall: 11021.9, 0.00315545/step, 1.32511 hours remaining, 234.679688 MB of memory in use. ENERGY: 3488200 4014.9347 20352.4266 14533.1379 248.1104 -203290.5165 2547.0154 0.0000 0.0000 51923.2025 -109671.6890 298.4034 -161594.8915 -109310.5128 298.8087 74.6143 96.1877 761086.2713 -15.2970 -15.4506 LDB: ============= START OF LOAD BALANCING ============== 11034.4 LDB: ============== END OF LOAD BALANCING =============== 11034.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11034.4 LDB: ============= START OF LOAD BALANCING ============== 11034.7 LDB: Largest compute 7048 load 0.033103 is 16.9% of average load 0.195552 LDB: Average compute 0.004418 is 2.3% of average load 0.195552 LDB: TIME 11034.7 LOAD: AVG 0.195552 MAX 0.21544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.016 MB LDB: TIME 11034.7 LOAD: AVG 0.195552 MAX 0.21544 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: TIME 11034.7 LOAD: AVG 0.195552 MAX 0.21544 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.016 MB LDB: ============== END OF LOAD BALANCING =============== 11034.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11034.7 PRESSURE: 3488400 144.722 193.976 -87.2768 193.976 154.86 -161.414 -87.276 -161.414 -144.164 GPRESSURE: 3488400 224.083 267.144 -82.054 156.48 166.557 -112.508 -131.838 -196.866 -165.267 PRESSAVG: 3488400 -36.1469 18.7023 34.1648 18.7023 41.9539 -26.3457 34.1648 -26.3456 -4.73198 GPRESSAVG: 3488400 -36.372 19.8634 34.2177 18.5791 42.6264 -26.0015 31.6804 -25.3207 -5.18729 TIMING: 3488400 CPU: 11022.5, 0.00321489/step Wall: 11022.5, 0.00321489/step, 1.3499 hours remaining, 235.378906 MB of memory in use. ENERGY: 3488400 3981.7923 20629.4988 14504.9887 249.8293 -203440.0631 2707.0613 0.0000 0.0000 51678.9929 -109687.9000 296.9999 -161366.8928 -109334.0800 298.6044 51.8060 75.1244 759553.9913 0.3583 0.3557 PRESSURE: 3488600 -181.574 -59.8063 27.3164 -59.8058 1.6861 35.277 27.3167 35.2762 -181.685 GPRESSURE: 3488600 -54.9182 -1.92204 20.3536 -69.0607 -11.1034 53.6832 76.0251 -27.363 -202.865 PRESSAVG: 3488600 13.8532 20.413 14.9951 20.413 1.67048 -28.9513 14.9951 -28.9512 -8.16731 GPRESSAVG: 3488600 13.8777 19.4388 14.5472 21.4015 1.59011 -29.8429 16.9759 -27.9862 -7.8841 TIMING: 3488600 CPU: 11023.1, 0.00314531/step Wall: 11023.1, 0.00314531/step, 1.32051 hours remaining, 235.378906 MB of memory in use. ENERGY: 3488600 3956.4013 20554.6014 14487.8275 247.2384 -203649.3949 2688.8677 0.0000 0.0000 51744.1022 -109970.3564 297.3741 -161714.4586 -109616.9307 298.4168 -120.5241 -89.6288 760124.6426 2.4521 2.5279 PRESSURE: 3488800 250.273 -188.826 92.1855 -188.825 -187.177 -163.027 92.1858 -163.026 14.3744 GPRESSURE: 3488800 257.834 -81.5188 13.8933 -136.263 -166.708 -137.496 99.6582 -57.8486 80.6004 PRESSAVG: 3488800 -24.0282 -3.86383 10.847 -3.86388 -18.8125 -8.76385 10.847 -8.76375 6.03089 GPRESSAVG: 3488800 -23.2985 -5.75245 10.3471 -2.83441 -19.9453 -7.76745 10.844 -10.3413 6.81985 TIMING: 3488800 CPU: 11023.8, 0.00314055/step Wall: 11023.8, 0.00314055/step, 1.31833 hours remaining, 235.378906 MB of memory in use. ENERGY: 3488800 3960.1618 20444.6032 14464.4078 240.0018 -203558.2192 2493.3851 0.0000 0.0000 52069.2193 -109886.4401 299.2425 -161955.6594 -109520.0464 298.2968 25.8235 57.2423 759979.7015 -12.2699 -12.1413 PRESSURE: 3489000 -167.548 -104.925 124.718 -104.925 -15.4228 164.818 124.718 164.818 -278.001 GPRESSURE: 3489000 -131.669 -334.665 152.672 -94.1465 82.833 243.001 179.968 115.299 -338.457 PRESSAVG: 3489000 -41.7507 15.9841 -0.134467 15.984 25.3519 28.6989 -0.134511 28.6989 8.093 GPRESSAVG: 3489000 -41.9282 15.9334 -0.698436 15.9209 27.0891 27.8072 -2.07445 28.7978 6.72725 TIMING: 3489000 CPU: 11024.4, 0.00315485/step Wall: 11024.4, 0.00315485/step, 1.32416 hours remaining, 235.378906 MB of memory in use. ENERGY: 3489000 4027.7302 20289.0001 14534.4231 242.8759 -203558.9904 2681.6205 0.0000 0.0000 51959.0691 -109824.2716 298.6095 -161783.3407 -109465.1186 298.7025 -153.6572 -129.0976 761406.2183 -2.7686 -2.7039 PRESSURE: 3489200 -199.634 -27.648 6.76356 -27.6483 -125.295 -28.6839 6.7641 -28.6837 -98.5265 GPRESSURE: 3489200 -173.911 -114.629 -18.7733 -20.5856 -64.1868 -98.0185 -51.8097 -79.7185 -87.4945 PRESSAVG: 3489200 33.9684 0.769104 -35.8488 0.769184 -7.49199 13.4071 -35.8488 13.4073 -26.1423 GPRESSAVG: 3489200 33.3655 0.763058 -34.3023 -1.74253 -8.31574 13.2907 -37.2762 14.91 -24.2917 TIMING: 3489200 CPU: 11025, 0.00317406/step Wall: 11025, 0.00317406/step, 1.33205 hours remaining, 235.378906 MB of memory in use. ENERGY: 3489200 3943.1992 20368.3272 14418.4269 244.0927 -203168.9602 2369.7836 0.0000 0.0000 52225.3933 -109599.7373 300.1401 -161825.1306 -109222.8871 298.6413 -141.1519 -108.5309 761728.4240 0.1114 0.2527 PRESSURE: 3489400 -237.89 -149.382 -233.267 -149.382 -347.369 -140.328 -233.267 -140.329 115.433 GPRESSURE: 3489400 -178.399 -130.784 -246.249 -80.21 -214.258 -158.171 -204.696 -116.015 6.23299 PRESSAVG: 3489400 -32.9768 -2.30899 -40.782 -2.30893 44.0342 -33.6033 -40.782 -33.6034 0.327243 GPRESSAVG: 3489400 -33.2432 -0.946138 -42.6633 -1.95504 44.5733 -35.4134 -38.6106 -33.1842 -0.608905 TIMING: 3489400 CPU: 11025.7, 0.00318919/step Wall: 11025.7, 0.00318919/step, 1.33822 hours remaining, 235.378906 MB of memory in use. ENERGY: 3489400 4019.7294 20545.2260 14507.4150 234.9827 -203032.9378 2465.3409 0.0000 0.0000 51754.0724 -109506.1714 297.4314 -161260.2438 -109148.6855 298.9560 -156.6083 -128.8080 761598.2314 3.7949 3.5737 PRESSURE: 3489600 -458.077 -19.6253 71.6648 -19.6259 141.617 -115.363 71.6648 -115.363 -410.691 GPRESSURE: 3489600 -468.395 55.6479 67.887 -12.0599 96.4909 -102.734 113.763 -115.073 -281.673 PRESSAVG: 3489600 -34.3477 11.4156 30.9072 11.4157 -7.27462 14.412 30.9072 14.4119 -18.7151 GPRESSAVG: 3489600 -33.7706 11.7231 32.4437 11.6786 -7.2434 15.7401 30.8256 12.4121 -18.7415 TIMING: 3489600 CPU: 11026.3, 0.00317127/step Wall: 11026.3, 0.00317127/step, 1.33052 hours remaining, 235.378906 MB of memory in use. ENERGY: 3489600 3905.0386 20383.9166 14460.9620 244.7977 -203405.0427 2451.7808 0.0000 0.0000 52168.0948 -109790.4524 299.8108 -161958.5472 -109421.6811 298.6228 -242.3840 -217.8589 762387.4970 -20.1125 -19.9185 PRESSURE: 3489800 -280.263 -111.993 51.9743 -111.993 -85.5394 -96.8989 51.9738 -96.8998 -52.8086 GPRESSURE: 3489800 -179.445 -46.7753 51.512 -143.355 -139.376 -162.937 66.91 -120.733 -0.551272 PRESSAVG: 3489800 2.47023 -16.1121 24.4991 -16.1121 35.3137 -13.9367 24.4991 -13.9366 -5.43452 GPRESSAVG: 3489800 3.11401 -17.6922 23.8042 -13.6128 33.8383 -13.3179 23.6581 -13.6694 -5.01273 TIMING: 3489800 CPU: 11026.9, 0.0031709/step Wall: 11026.9, 0.0031709/step, 1.33019 hours remaining, 235.378906 MB of memory in use. ENERGY: 3489800 3942.0788 20658.7091 14452.2491 236.2156 -203854.8627 2912.1463 0.0000 0.0000 51973.4136 -109680.0502 298.6919 -161653.4638 -109329.0700 298.8514 -139.5368 -106.4574 762639.9338 10.7832 10.6465 PRESSURE: 3490000 -285.275 220.049 79.7796 220.05 11.7351 -13.3689 79.7795 -13.3699 -750.638 GPRESSURE: 3490000 -244.509 219.041 48.1138 127.603 91.7095 35.8155 69.3976 -144.841 -775.412 PRESSAVG: 3490000 -57.9194 -13.2992 45.1569 -13.2992 36.1859 39.4829 45.1569 39.4828 -11.2446 GPRESSAVG: 3490000 -59.4465 -14.8458 43.6248 -14.8716 37.2598 40.2798 46.3264 37.5131 -11.1128 TIMING: 3490000 CPU: 11027.6, 0.0031769/step Wall: 11027.6, 0.0031769/step, 1.33253 hours remaining, 235.378906 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: 3490000 4033.2526 20629.2641 14465.1750 255.1941 -203642.2616 2894.0091 0.0000 0.0000 51763.2814 -109602.0854 297.4843 -161365.3668 -109243.6409 298.6729 -341.3927 -309.4037 761446.7969 -10.9927 -11.0998 PRESSURE: 3490200 173.425 -30.2954 251.243 -30.2958 134.227 -147.074 251.244 -147.074 -248.976 GPRESSURE: 3490200 285.283 35.5111 150.211 162.776 122.778 -59.7256 276.012 -195.817 -282.962 PRESSAVG: 3490200 -42.5864 51.1219 13.7907 51.1219 63.8054 13.1494 13.7906 13.1494 3.42428 GPRESSAVG: 3490200 -40.825 51.5347 14.5733 52.8561 62.2904 13.0626 15.408 14.8893 3.09251 TIMING: 3490200 CPU: 11028.2, 0.00318283/step Wall: 11028.2, 0.00318283/step, 1.33484 hours remaining, 235.378906 MB of memory in use. ENERGY: 3490200 3939.8932 20709.0646 14381.5481 247.8756 -203683.4979 2922.2668 0.0000 0.0000 51736.9211 -109745.9285 297.3328 -161482.8495 -109384.3720 298.6292 19.5586 41.6994 761884.2486 8.2144 8.1860 PRESSURE: 3490400 -80.5136 91.312 -96.125 91.3111 -52.6095 230.312 -96.1251 230.312 34.1233 GPRESSURE: 3490400 -56.6112 137.358 -105.495 19.1925 -20.4767 157.561 -177.944 205.892 56.5818 PRESSAVG: 3490400 -3.77404 4.73157 40.0713 4.73152 6.55942 28.2066 40.0714 28.2066 -14.7748 GPRESSAVG: 3490400 -5.16226 4.61777 41.6241 3.20357 7.3086 26.3195 37.1115 28.7004 -13.6766 TIMING: 3490400 CPU: 11028.8, 0.00317545/step Wall: 11028.8, 0.00317545/step, 1.33157 hours remaining, 235.378906 MB of memory in use. ENERGY: 3490400 4006.4585 20568.5384 14392.0422 256.2375 -203629.7251 2892.8737 0.0000 0.0000 52146.8437 -109366.7311 299.6886 -161513.5748 -109015.5497 299.1975 -32.9999 -6.8354 761513.0782 -3.9965 -3.8434 PRESSURE: 3490600 32.2356 -21.9497 117.726 -21.9493 -109.804 33.2021 117.726 33.2012 -83.4115 GPRESSURE: 3490600 32.2951 21.7696 93.6343 55.2687 -17.0366 32.8704 131.42 -30.6431 -102.542 PRESSAVG: 3490600 -45.184 25.6957 0.210592 25.6957 53.8585 30.4956 0.210618 30.4957 -9.92074 GPRESSAVG: 3490600 -44.5938 26.1064 0.243371 25.6422 55.094 31.9391 -0.464124 31.3688 -11.8441 TIMING: 3490600 CPU: 11029.5, 0.00316513/step Wall: 11029.5, 0.00316513/step, 1.32707 hours remaining, 235.378906 MB of memory in use. ENERGY: 3490600 4089.0495 20573.9855 14467.8401 240.6290 -203139.7567 2501.8800 0.0000 0.0000 51991.4054 -109274.9673 298.7953 -161266.3727 -108920.4989 299.6915 -53.6600 -29.0946 762363.5177 -0.4154 -0.4479 PRESSURE: 3490800 469.241 -28.9083 -231.048 -28.9081 155.424 164.528 -231.048 164.527 564.964 GPRESSURE: 3490800 541.85 28.0652 -150.525 -190.594 243.8 160.487 -181.155 73.1061 479.932 PRESSAVG: 3490800 -7.08836 -11.2746 11.1449 -11.2746 -4.7993 32.4882 11.1448 32.4882 -12.0738 GPRESSAVG: 3490800 -7.0548 -11.7111 9.85879 -10.881 -6.03493 29.849 12.6514 32.5167 -11.3219 TIMING: 3490800 CPU: 11030.1, 0.00315667/step Wall: 11030.1, 0.00315667/step, 1.32335 hours remaining, 235.378906 MB of memory in use. ENERGY: 3490800 3995.4649 20496.8439 14433.7849 235.0951 -203406.3327 2693.4754 0.0000 0.0000 52303.8443 -109247.8241 300.5909 -161551.6685 -108881.4061 299.4242 396.5433 421.8609 761354.7711 -7.9872 -8.1372 PRESSURE: 3491000 149.981 7.45752 -177.326 7.45743 -54.8565 213.397 -177.326 213.397 18.1909 GPRESSURE: 3491000 202.257 -9.47604 -92.96 -15.2057 -48.3335 176.673 -236.637 226.362 45.0564 PRESSAVG: 3491000 53.7182 21.1076 21.5116 21.1076 -46.9551 8.21962 21.5116 8.21962 -4.38486 GPRESSAVG: 3491000 53.2373 21.9322 20.2941 19.8218 -46.4628 12.0712 21.1183 6.82743 -4.29885 TIMING: 3491000 CPU: 11030.7, 0.00316358/step Wall: 11030.7, 0.00316358/step, 1.32607 hours remaining, 235.378906 MB of memory in use. ENERGY: 3491000 4003.7523 20547.5398 14481.3561 237.7315 -203502.7377 2884.4928 0.0000 0.0000 52004.2381 -109343.6271 298.8691 -161347.8653 -108985.8522 299.6874 37.7717 66.3265 762423.1890 0.7927 0.8252 PRESSURE: 3491200 -48.2859 -19.4521 -84.7388 -19.452 205.829 -9.56851 -84.7397 -9.5682 179.827 GPRESSURE: 3491200 -7.58172 -91.4892 4.92244 -64.3594 152.325 77.8883 -124.961 -4.86598 267.91 PRESSAVG: 3491200 25.0747 16.4588 -18.534 16.4589 4.73957 -4.05701 -18.534 -4.05696 8.83821 GPRESSAVG: 3491200 25.5553 15.9532 -16.7569 17.0302 4.27251 -6.43155 -17.3533 -2.53235 8.78453 TIMING: 3491200 CPU: 11031.4, 0.00318019/step Wall: 11031.4, 0.00318019/step, 1.33285 hours remaining, 235.378906 MB of memory in use. ENERGY: 3491200 3911.9462 20296.0919 14464.9785 245.9557 -203716.9000 2957.3831 0.0000 0.0000 52299.6689 -109540.8758 300.5669 -161840.5447 -109168.6288 299.3980 112.4566 137.5511 762582.3351 12.8841 12.8708 PRESSURE: 3491400 97.0687 -105.047 -8.41794 -105.047 -146.244 80.7985 -8.41812 80.7975 -225.721 GPRESSURE: 3491400 42.5362 -116.33 -22.987 -21.4707 -55.2873 131.419 73.4872 86.0079 -182.952 PRESSAVG: 3491400 63.1673 -28.2045 -45.1863 -28.2046 -23.5272 -12.1727 -45.1863 -12.1727 -13.2747 GPRESSAVG: 3491400 61.5545 -28.0108 -47.2145 -27.9813 -21.6493 -10.6657 -44.2428 -11.294 -14.0509 TIMING: 3491400 CPU: 11032, 0.00316303/step Wall: 11032, 0.00316303/step, 1.32548 hours remaining, 235.378906 MB of memory in use. ENERGY: 3491400 3958.4607 20631.3408 14389.7061 238.4311 -203126.6006 2476.5257 0.0000 0.0000 51885.0299 -109547.1062 298.1840 -161432.1361 -109188.8475 299.4184 -91.6324 -65.2343 761029.0369 8.7885 8.6181 PRESSURE: 3491600 144.158 -8.73197 71.1316 -8.73167 -127.643 98.1377 71.1314 98.1385 120.926 GPRESSURE: 3491600 164.091 97.3163 65.2391 48.0284 -118.109 22.169 57.4808 55.22 194.215 PRESSAVG: 3491600 57.2131 32.5236 -22.3194 32.5236 -15.2983 51.5517 -22.3194 51.5517 -3.90123 GPRESSAVG: 3491600 57.7707 32.2073 -22.0074 33.0229 -15.5175 50.9046 -23.4815 50.3683 -3.76695 TIMING: 3491600 CPU: 11032.6, 0.00316779/step Wall: 11032.6, 0.00316779/step, 1.32731 hours remaining, 235.378906 MB of memory in use. ENERGY: 3491600 3992.2803 20494.3430 14523.3795 233.9149 -203250.3601 2615.8064 0.0000 0.0000 51991.0948 -109399.5412 298.7935 -161390.6360 -109042.1901 298.8625 45.8135 80.0659 763203.9653 12.6712 12.8288 PRESSURE: 3491800 -404.998 77.3077 -132.622 77.3084 -4.13218 -38.2794 -132.622 -38.2802 -391.223 GPRESSURE: 3491800 -330.237 -47.6706 -84.2354 113.578 18.1842 10.8209 -30.8917 -72.9845 -398.982 PRESSAVG: 3491800 25.2256 -24.2434 -1.28197 -24.2433 36.9999 -2.62646 -1.28197 -2.62642 26.5002 GPRESSAVG: 3491800 26.5355 -25.1779 1.00003 -23.6556 36.019 -2.27512 -1.06072 -1.9519 26.0775 TIMING: 3491800 CPU: 11033.3, 0.00316482/step Wall: 11033.3, 0.00316482/step, 1.32588 hours remaining, 235.378906 MB of memory in use. ENERGY: 3491800 3929.1614 20579.9423 14441.6691 239.1700 -203043.5668 2390.6887 0.0000 0.0000 52073.0821 -109389.8531 299.2647 -161462.9352 -109028.2926 299.2134 -266.7845 -237.0116 761467.4441 29.5752 29.5440 PRESSURE: 3492000 -150.014 171.914 -114.601 171.913 -166.173 68.0872 -114.601 68.0872 -349.444 GPRESSURE: 3492000 -160.451 132.581 -122.966 62.9983 -114.511 227.468 -134.918 -28.4308 -307.473 PRESSAVG: 3492000 -62.5233 -2.30674 4.02834 -2.30671 -13.3445 49.4138 4.02834 49.4137 21.6369 GPRESSAVG: 3492000 -65.1116 -2.1069 3.94775 -4.48193 -12.0279 50.8412 3.87425 51.8603 22.4545 TIMING: 3492000 CPU: 11033.9, 0.00319993/step Wall: 11033.9, 0.00319993/step, 1.34041 hours remaining, 235.378906 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: 3492000 3968.2476 20486.8675 14459.3996 258.2059 -203421.8912 2866.4125 0.0000 0.0000 51984.3480 -109398.4101 298.7548 -161382.7581 -109037.2762 298.7733 -221.8773 -194.1449 764940.9086 -18.0770 -18.2283 PRESSURE: 3492200 7.67528 109.003 19.2907 109.003 -48.2023 -47.439 19.2916 -47.4381 24.1853 GPRESSURE: 3492200 29.1376 50.2271 82.3639 76.1787 -29.7146 -75.4779 86.2534 -69.3806 74.909 PRESSAVG: 3492200 -15.7122 44.7681 17.9846 44.7681 20.7902 -57.4172 17.9845 -57.4171 33.029 GPRESSAVG: 3492200 -13.2927 45.4301 16.9973 45.4118 18.5438 -58.9509 17.3108 -58.5776 32.9732 TIMING: 3492200 CPU: 11034.5, 0.00316485/step Wall: 11034.5, 0.00316485/step, 1.32554 hours remaining, 235.378906 MB of memory in use. ENERGY: 3492200 3982.3863 20701.2980 14458.2789 254.6026 -203286.7851 2667.2799 0.0000 0.0000 51881.0696 -109341.8697 298.1612 -161222.9393 -108981.1689 299.2959 -5.4472 24.7773 762760.8184 12.7023 12.7414 LDB: ============= START OF LOAD BALANCING ============== 11047.1 LDB: ============== END OF LOAD BALANCING =============== 11047.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11047.1 LDB: ============= START OF LOAD BALANCING ============== 11047.4 LDB: Largest compute 7074 load 0.033991 is 17.4% of average load 0.195555 LDB: Average compute 0.004398 is 2.2% of average load 0.195555 LDB: TIME 11047.4 LOAD: AVG 0.195555 MAX 0.216789 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.078 MB LDB: TIME 11047.4 LOAD: AVG 0.195555 MAX 0.216789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: TIME 11047.4 LOAD: AVG 0.195555 MAX 0.216789 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: ============== END OF LOAD BALANCING =============== 11047.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11047.4 PRESSURE: 3492400 -71.6616 -94.7262 101.208 -94.7254 206.944 -131.42 101.208 -131.42 -382.204 GPRESSURE: 3492400 -60.7874 -97.7952 203.284 -117.095 210.102 -155.856 63.6965 -76.9109 -302.565 PRESSAVG: 3492400 -19.9004 19.0718 -9.1844 19.0719 25.7627 -15.8805 -9.18439 -15.8805 -2.07374 GPRESSAVG: 3492400 -19.997 21.2497 -8.15663 16.8019 26.5982 -17.8637 -9.79429 -15.1141 -2.3413 TIMING: 3492400 CPU: 11035.2, 0.00324203/step Wall: 11035.2, 0.00324203/step, 1.35769 hours remaining, 236.421875 MB of memory in use. ENERGY: 3492400 3938.6903 20624.1178 14448.4505 249.4356 -203358.5471 2825.9864 0.0000 0.0000 51691.1367 -109580.7299 297.0697 -161271.8665 -109217.5648 298.8342 -82.3073 -51.0835 761236.5981 1.2629 1.4200 PRESSURE: 3492600 -376.261 -142.486 -22.8512 -142.485 -133.564 -10.139 -22.8506 -10.1396 -223.671 GPRESSURE: 3492600 -302.739 -157.208 -31.457 12.2169 -84.5666 47.5256 -50.5836 64.8294 -247.406 PRESSAVG: 3492600 -4.05075 31.2266 2.90805 31.2265 11.9927 -13.4677 2.9081 -13.4678 11.556 GPRESSAVG: 3492600 -4.59839 29.2062 3.80027 36.0704 12.3026 -11.242 4.92922 -13.5437 11.1636 TIMING: 3492600 CPU: 11035.8, 0.00316803/step Wall: 11035.8, 0.00316803/step, 1.32652 hours remaining, 237.062500 MB of memory in use. ENERGY: 3492600 3970.0735 20581.0679 14487.1583 242.7068 -203165.2658 2437.0499 0.0000 0.0000 51965.0488 -109482.1606 298.6438 -161447.2094 -109118.7791 298.9725 -244.4989 -211.5706 760807.5336 6.4993 6.2893 PRESSURE: 3492800 -308.075 309.86 105.925 309.859 -369.966 -18.2288 105.924 -18.2294 -278.484 GPRESSURE: 3492800 -211.44 368.823 60.3262 432.278 -413.396 -46.7858 121.442 11.0846 -270.163 PRESSAVG: 3492800 40.7347 48.5542 35.1524 48.5542 -41.5556 38.2105 35.1524 38.2105 24.6428 GPRESSAVG: 3492800 41.3475 49.8181 32.6994 45.4105 -42.7973 39.2487 34.7622 33.654 25.105 TIMING: 3492800 CPU: 11036.5, 0.00315701/step Wall: 11036.5, 0.00315701/step, 1.32174 hours remaining, 237.062500 MB of memory in use. ENERGY: 3492800 4025.5735 20536.9761 14408.7602 236.4258 -203052.2293 2426.4337 0.0000 0.0000 52021.4809 -109396.5791 298.9682 -161418.0600 -109025.3228 299.3581 -318.8419 -298.3328 761206.5789 7.9406 7.8851 PRESSURE: 3493000 -148.213 -49.827 -33.2556 -49.8277 63.6291 -10.0422 -33.255 -10.0423 178.377 GPRESSURE: 3493000 -37.0527 -149.55 -0.503939 -60.4958 78.4678 -39.0752 -189.887 34.1012 145.185 PRESSAVG: 3493000 -5.18902 34.7073 -27.9006 34.7073 3.36339 9.60326 -27.9006 9.60322 27.6792 GPRESSAVG: 3493000 -5.56652 33.7414 -27.4982 34.6649 3.73241 8.42005 -28.3962 11.3773 27.5195 TIMING: 3493000 CPU: 11037.1, 0.00316429/step Wall: 11037.1, 0.00316429/step, 1.32461 hours remaining, 237.062500 MB of memory in use. ENERGY: 3493000 4008.2713 20491.3080 14431.2390 263.4508 -203232.0238 2525.1983 0.0000 0.0000 52107.8643 -109404.6920 299.4646 -161512.5563 -109035.2774 299.4012 31.2643 62.2001 759713.1757 8.6178 8.5618 PRESSURE: 3493200 151.748 37.2474 -240.721 37.2474 176.237 -120.262 -240.721 -120.261 105.792 GPRESSURE: 3493200 180.03 23.3649 -232.974 39.8478 256.833 -131.407 -73.1277 -62.5895 86.7848 PRESSAVG: 3493200 -5.86447 -31.4852 23.2076 -31.4852 57.0406 -0.0572451 23.2076 -0.0571913 -15.7686 GPRESSAVG: 3493200 -5.79873 -30.2113 22.4582 -33.1305 58.044 -0.968674 24.147 1.98701 -16.786 TIMING: 3493200 CPU: 11037.7, 0.00316026/step Wall: 11037.7, 0.00316026/step, 1.32274 hours remaining, 237.062500 MB of memory in use. ENERGY: 3493200 3932.5643 20562.5689 14444.9945 234.4140 -203280.4843 2609.5335 0.0000 0.0000 52024.2495 -109472.1597 298.9841 -161496.4092 -109108.6219 299.1326 144.5921 174.5492 758673.2280 11.8025 11.8198 PRESSURE: 3493400 -347.288 28.4501 54.5709 28.4501 169.795 69.1179 54.5718 69.1181 -60.0091 GPRESSURE: 3493400 -298.551 85.862 126.347 22.6569 233.139 62.0632 -61.5023 3.55164 -83.7047 PRESSAVG: 3493400 -37.4781 -6.72661 -14.3845 -6.72667 49.8407 -35.8986 -14.3844 -35.8986 -30.8572 GPRESSAVG: 3493400 -37.5064 -8.69347 -11.8547 -4.73748 48.5404 -34.7734 -16.8767 -36.4679 -29.1439 TIMING: 3493400 CPU: 11038.4, 0.00316964/step Wall: 11038.4, 0.00316964/step, 1.32649 hours remaining, 237.062500 MB of memory in use. ENERGY: 3493400 4013.2960 20575.4137 14422.3474 221.7616 -202738.8195 2291.1348 0.0000 0.0000 51843.3662 -109371.4998 297.9445 -161214.8659 -109015.3335 299.2314 -79.1673 -49.7055 760155.2391 -6.1648 -6.0366 PRESSURE: 3493600 15.8201 33.8089 -16.1425 33.8098 128.117 -161.554 -16.1417 -161.555 118.725 GPRESSURE: 3493600 31.1927 -59.5617 -69.955 131.976 137.927 -240.096 112.186 41.9491 150.535 PRESSAVG: 3493600 7.65653 6.2751 34.2333 6.27516 -36.7815 34.914 34.2333 34.9139 2.78422 GPRESSAVG: 3493600 7.50818 7.74558 31.4218 6.87658 -36.0193 34.7276 35.5793 34.5051 2.03632 TIMING: 3493600 CPU: 11039, 0.00315934/step Wall: 11039, 0.00315934/step, 1.32201 hours remaining, 237.062500 MB of memory in use. ENERGY: 3493600 3960.1665 20672.9987 14491.1425 241.6275 -203418.4505 2614.5927 0.0000 0.0000 52102.3919 -109335.5306 299.4332 -161437.9225 -108984.4815 299.0355 87.5540 106.5515 760656.4050 -8.7803 -8.8249 PRESSURE: 3493800 183.624 31.4853 -256.593 31.4851 160.315 -83.9895 -256.594 -83.9902 55.9319 GPRESSURE: 3493800 115.965 28.1429 -424.358 12.0155 277.533 -0.752784 -132.799 -30.3783 84.8999 PRESSAVG: 3493800 -22.956 0.945873 -5.4617 0.945835 55.4319 50.37 -5.46179 50.3701 4.46158 GPRESSAVG: 3493800 -23.828 -0.595762 -4.71681 0.153286 56.0573 50.1717 -4.84808 50.1759 4.64598 TIMING: 3493800 CPU: 11039.6, 0.00316305/step Wall: 11039.6, 0.00316305/step, 1.32338 hours remaining, 237.062500 MB of memory in use. ENERGY: 3493800 3967.5732 20606.9034 14468.3758 237.7051 -203285.9630 2559.0777 0.0000 0.0000 52182.8606 -109263.4672 299.8956 -161446.3278 -108903.2511 299.2630 133.2901 159.4661 760355.3003 12.3125 12.2917 PRESSURE: 3494000 -184.125 144.256 -60.9284 144.257 -161.851 -161.771 -60.9291 -161.771 28.1828 GPRESSURE: 3494000 -142.213 50.5022 -91.2413 100.658 -133.266 -184.765 -114.163 -98.9625 42.4753 PRESSAVG: 3494000 -78.9267 6.28928 41.0435 6.28925 54.9867 -2.07798 41.0435 -2.07799 -28.1062 GPRESSAVG: 3494000 -77.5551 6.93717 42.919 6.85626 54.7644 -2.41963 38.9334 -1.23646 -29.0494 TIMING: 3494000 CPU: 11040.3, 0.00316479/step Wall: 11040.3, 0.0031648/step, 1.32394 hours remaining, 237.062500 MB of memory 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 3967.4211 20543.3918 14461.5081 240.0702 -202938.7707 2372.7577 0.0000 0.0000 52070.3769 -109283.2449 299.2492 -161353.6218 -108911.2025 298.9869 -105.9309 -77.6680 760862.5831 -17.3487 -17.2800 PRESSURE: 3494200 32.011 -99.9736 48.1046 -99.9731 -140.824 -33.6846 48.1046 -33.6854 288.596 GPRESSURE: 3494200 66.4507 -20.6502 61.134 13.9437 -196.404 -92.2017 187.835 27.4652 379.381 PRESSAVG: 3494200 17.2749 -14.1441 -19.5912 -14.1442 -30.6185 -4.79858 -19.5912 -4.7985 -17.0088 GPRESSAVG: 3494200 18.0952 -14.7621 -20.923 -16.2634 -31.5035 -4.65336 -19.7468 -5.77789 -16.8888 TIMING: 3494200 CPU: 11040.9, 0.00316554/step Wall: 11040.9, 0.00316554/step, 1.32407 hours remaining, 237.062500 MB of memory in use. ENERGY: 3494200 4004.6954 20394.2670 14462.3188 244.4032 -203255.8770 2742.0056 0.0000 0.0000 51857.6217 -109550.5653 298.0265 -161408.1870 -109183.1909 298.8048 59.9274 83.1427 763309.6667 -10.1175 -10.0990 PRESSURE: 3494400 -289.027 -96.6088 44.5306 -96.6088 -126.185 209.068 44.5308 209.068 -3.26222 GPRESSURE: 3494400 -213.52 -96.6767 78.2495 -49.6651 -161.545 207.82 98.3707 182.156 30.6411 PRESSAVG: 3494400 12.5981 -26.4073 27.3472 -26.4073 -16.9254 -8.55649 27.3472 -8.55637 6.03931 GPRESSAVG: 3494400 10.0183 -27.5054 26.9451 -24.4382 -15.3151 -7.48835 27.7465 -8.66764 6.41592 TIMING: 3494400 CPU: 11041.5, 0.00316349/step Wall: 11041.5, 0.00316349/step, 1.32304 hours remaining, 237.062500 MB of memory in use. ENERGY: 3494400 4028.1428 20489.9814 14369.2089 234.0627 -203626.7727 2837.0560 0.0000 0.0000 51974.0472 -109694.2737 298.6956 -161668.3209 -109332.4243 298.9054 -139.4914 -114.8079 762481.7259 0.5707 0.3730 PRESSURE: 3494600 -194.706 -41.0663 -207.807 -41.0658 -90.697 -58.5974 -207.806 -58.5974 -165.441 GPRESSURE: 3494600 -90.3924 -44.8224 -149.374 -9.315 -78.0911 -105.462 -143.547 -27.722 -200.05 PRESSAVG: 3494600 -9.75962 -46.2122 9.15189 -46.2122 19.5229 -19.3373 9.15191 -19.3372 -21.572 GPRESSAVG: 3494600 -8.93772 -44.7223 10.2192 -46.9021 18.9781 -20.5686 10.0104 -18.3821 -22.1103 TIMING: 3494600 CPU: 11042.1, 0.00314949/step Wall: 11042.1, 0.00314949/step, 1.31701 hours remaining, 237.062500 MB of memory in use. ENERGY: 3494600 4023.2946 20574.1515 14439.1191 270.8649 -203511.4665 2587.6270 0.0000 0.0000 51769.8328 -109846.5765 297.5219 -161616.4093 -109474.6227 298.5680 -150.2814 -122.8446 761688.6310 -3.9363 -4.0233 PRESSURE: 3494800 -157.027 141.425 -89.2939 141.424 265.07 88.6256 -89.2939 88.6249 464.936 GPRESSURE: 3494800 -106.731 -9.68008 -84.5655 246.039 329.8 53.8416 -50.1303 44.8534 433.107 PRESSAVG: 3494800 -4.11036 -3.35921 -64.5805 -3.35918 9.46333 -30.9912 -64.5806 -30.9913 -9.48708 GPRESSAVG: 3494800 -3.89991 -3.65474 -64.898 -2.82801 9.58015 -30.4028 -67.3665 -32.8013 -9.30191 TIMING: 3494800 CPU: 11042.8, 0.00314831/step Wall: 11042.8, 0.00314831/step, 1.31634 hours remaining, 237.062500 MB of memory in use. ENERGY: 3494800 3919.6114 20394.1882 14470.2975 243.8091 -203518.4932 2657.1811 0.0000 0.0000 51950.0706 -109883.3353 298.5578 -161833.4059 -109521.0379 298.1680 190.9930 218.7252 761913.5917 -1.3780 -1.2072 PRESSURE: 3495000 -195.296 -86.1839 -84.056 -86.1839 -305.245 63.2733 -84.056 63.2718 -86.0699 GPRESSURE: 3495000 -54.9664 -70.436 -20.952 -114.546 -301.798 96.3205 55.667 119.824 -146.188 PRESSAVG: 3495000 10.4723 3.20615 -18.7625 3.2062 -14.6369 21.9608 -18.7625 21.9608 9.47712 GPRESSAVG: 3495000 11.5677 3.37105 -18.1637 3.1333 -14.7638 21.4168 -17.4745 21.442 8.8386 TIMING: 3495000 CPU: 11043.4, 0.0031515/step Wall: 11043.4, 0.0031515/step, 1.3175 hours remaining, 237.062500 MB of memory in use. ENERGY: 3495000 3997.3695 20371.8888 14432.7753 258.6972 -203629.2476 2594.0544 0.0000 0.0000 51747.4667 -110226.9956 297.3934 -161974.4623 -109858.9954 297.7591 -195.5371 -167.6510 763601.9896 1.7708 1.8808 PRESSURE: 3495200 76.9941 174.097 212.715 174.098 121.702 -51.4461 212.714 -51.4467 -162.043 GPRESSURE: 3495200 143.374 115.722 185.219 174.935 187.14 -134.633 169.526 -88.5219 -187.292 PRESSAVG: 3495200 19.3129 2.54102 -10.109 2.54097 19.6283 7.19952 -10.1089 7.19951 3.98026 GPRESSAVG: 3495200 19.6102 3.08571 -10.7413 2.36995 19.2544 8.05151 -10.1299 8.90454 4.23053 TIMING: 3495200 CPU: 11044, 0.00318244/step Wall: 11044, 0.00318244/step, 1.33026 hours remaining, 237.062500 MB of memory in use. ENERGY: 3495200 3899.5757 20350.2665 14491.9108 257.5949 -204136.8455 2728.0594 0.0000 0.0000 52323.0510 -110086.3872 300.7013 -162409.4383 -109715.3828 297.5306 12.2175 47.7409 759753.0621 14.3071 14.3651 PRESSURE: 3495400 -3.38273 -59.2927 -103.786 -59.2925 226.197 98.0828 -103.787 98.0834 -13.2962 GPRESSURE: 3495400 32.1156 -75.8378 -74.8514 -11.598 242.081 34.0614 -141.22 84.3727 22.6514 PRESSAVG: 3495400 40.4349 -1.75542 -39.2466 -1.75537 -8.49756 -4.21068 -39.2466 -4.21073 -4.03101 GPRESSAVG: 3495400 39.6361 -3.1042 -39.2707 -3.22418 -7.77253 -3.95098 -38.0916 -4.46713 -4.24473 TIMING: 3495400 CPU: 11044.7, 0.00319351/step Wall: 11044.7, 0.00319351/step, 1.33471 hours remaining, 237.062500 MB of memory in use. ENERGY: 3495400 3913.1682 20301.7462 14457.1381 239.7225 -203408.0394 2421.8348 0.0000 0.0000 52029.0423 -110045.3872 299.0116 -162074.4295 -109681.1221 297.6080 69.8394 98.9494 761252.8272 9.3021 9.2063 PRESSURE: 3495600 207.699 57.1609 -236.969 57.1622 -5.29792 -150.161 -236.968 -150.162 25.4647 GPRESSURE: 3495600 242.346 57.1927 -178.95 34.3803 68.4121 -74.4663 -290.531 -97.6367 13.9072 PRESSAVG: 3495600 -15.6085 -18.9503 -8.3141 -18.9503 -12.8235 19.653 -8.31418 19.6531 -27.7493 GPRESSAVG: 3495600 -15.9468 -17.5828 -8.79661 -17.8892 -13.3502 20.696 -8.66305 19.5869 -27.194 TIMING: 3495600 CPU: 11045.3, 0.0031845/step Wall: 11045.3, 0.0031845/step, 1.33077 hours remaining, 237.062500 MB of memory in use. ENERGY: 3495600 3931.3770 20502.6477 14518.8231 267.3216 -203126.9431 2249.2761 0.0000 0.0000 51875.0875 -109782.4100 298.1268 -161657.4976 -109421.7626 298.4030 75.9553 108.2216 761752.3740 -18.7271 -18.8303 PRESSURE: 3495800 7.38188 -261.484 56.8784 -261.484 -139.796 2.91445 56.8782 2.91453 29.4514 GPRESSURE: 3495800 73.0095 -170.567 21.2315 -373.266 -186.635 33.0992 16.2255 -97.5086 79.1247 PRESSAVG: 3495800 3.82665 32.7237 3.67239 32.7237 19.5384 33.2605 3.6724 33.2605 -12.1585 GPRESSAVG: 3495800 3.52429 31.5254 3.4568 32.374 20.3323 32.2142 3.46173 35.2189 -12.4113 TIMING: 3495800 CPU: 11046, 0.00317996/step Wall: 11046, 0.00317996/step, 1.3287 hours remaining, 237.062500 MB of memory in use. ENERGY: 3495800 3987.8135 20503.7290 14460.7858 247.5208 -203028.4556 2255.8007 0.0000 0.0000 51926.9177 -109645.8881 298.4247 -161572.8058 -109291.2545 298.3591 -34.3209 -11.5002 762225.3123 3.7355 3.8151 PRESSURE: 3496000 -13.1426 -32.4025 -14.1515 -32.4026 305.768 -71.6425 -14.1507 -71.644 -70.9325 GPRESSURE: 3496000 -2.84225 -104.745 3.26754 56.9837 257.189 -78.6346 -27.4693 -6.59537 49.9844 PRESSAVG: 3496000 -24.0492 -13.4422 24.014 -13.4422 -28.7031 -33.6273 24.014 -33.6273 -16.17 GPRESSAVG: 3496000 -22.4989 -13.8427 24.2401 -13.0427 -30.1339 -33.8836 25.3899 -36.6315 -15.9363 TIMING: 3496000 CPU: 11046.6, 0.0031738/step Wall: 11046.6, 0.0031738/step, 1.32594 hours remaining, 237.062500 MB of memory 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 4060.2941 20476.4881 14468.6161 234.1199 -203044.3660 2314.3664 0.0000 0.0000 51866.4217 -109624.0597 298.0770 -161490.4813 -109259.3555 299.0359 73.8978 101.4438 760551.1271 -22.9741 -22.8564 PRESSURE: 3496200 -84.3697 40.7827 37.9744 40.7835 -351.201 189.773 37.9737 189.774 -169.026 GPRESSURE: 3496200 -80.272 15.8749 18.2061 41.7883 -276.586 219.304 94.0616 32.0231 -164.217 PRESSAVG: 3496200 22.6574 -19.0811 -1.06448 -19.0811 -41.2938 -64.2304 -1.06446 -64.2304 2.98358 GPRESSAVG: 3496200 22.5448 -19.9743 -1.11137 -19.9107 -40.6892 -63.083 -2.52005 -64.0526 2.45458 TIMING: 3496200 CPU: 11047.2, 0.00315142/step Wall: 11047.2, 0.00315142/step, 1.31642 hours remaining, 237.062500 MB of memory in use. ENERGY: 3496200 4022.2246 20392.1148 14480.8239 257.9298 -203027.6955 2336.1965 0.0000 0.0000 51916.9874 -109621.4185 298.3676 -161538.4059 -109250.4329 298.7827 -201.5322 -173.6917 761798.0787 -5.2176 -5.2299 LDB: ============= START OF LOAD BALANCING ============== 11059.8 LDB: ============== END OF LOAD BALANCING =============== 11059.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11059.8 LDB: ============= START OF LOAD BALANCING ============== 11060.1 LDB: Largest compute 7057 load 0.033815 is 17.3% of average load 0.195515 LDB: Average compute 0.004388 is 2.2% of average load 0.195515 LDB: TIME 11060.1 LOAD: AVG 0.195515 MAX 0.216119 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.711 MB LDB: TIME 11060.1 LOAD: AVG 0.195515 MAX 0.216119 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.914 MB LDB: TIME 11060.1 LOAD: AVG 0.195515 MAX 0.216119 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.914 MB LDB: ============== END OF LOAD BALANCING =============== 11060.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11060.1 PRESSURE: 3496400 43.0597 174.49 14.1355 174.489 -179.278 -176.271 14.1356 -176.271 125.683 GPRESSURE: 3496400 60.1615 255.128 27.972 74.6532 -44.1757 -75.586 -27.5148 -154.509 90.4333 PRESSAVG: 3496400 18.2689 28.5298 -43.9655 28.5298 -5.07208 -33.9356 -43.9655 -33.9356 -25.5341 GPRESSAVG: 3496400 18.4928 31.2827 -45.0522 28.5693 -4.35593 -34.8668 -44.1333 -32.6031 -25.891 TIMING: 3496400 CPU: 11047.9, 0.00323031/step Wall: 11047.9, 0.00323031/step, 1.34919 hours remaining, 235.394531 MB of memory in use. ENERGY: 3496400 3932.2691 20535.6901 14414.9944 238.6401 -203314.9500 2454.8080 0.0000 0.0000 52153.0351 -109585.5132 299.7242 -161738.5483 -109216.4281 298.8372 -3.5119 35.4730 759886.9356 -4.1125 -3.9180 PRESSURE: 3496600 387.52 0.869913 -132.277 0.870074 0.857439 69.7576 -132.277 69.7583 -3.92012 GPRESSURE: 3496600 371.315 23.6158 -123.11 -112.719 13.7294 147.541 -10.9568 -73.5007 77.6499 PRESSAVG: 3496600 86.4286 13.0874 -71.9179 13.0874 -72.1842 -34.2706 -71.9178 -34.2705 33.1116 GPRESSAVG: 3496600 86.8734 10.2097 -71.1366 11.6412 -72.3599 -33.2496 -72.8742 -35.6682 32.8681 TIMING: 3496600 CPU: 11048.5, 0.00315643/step Wall: 11048.5, 0.00315643/step, 1.31816 hours remaining, 235.394531 MB of memory in use. ENERGY: 3496600 3955.7935 20504.8500 14427.4658 242.5833 -203026.0699 2681.6932 0.0000 0.0000 51793.9415 -109419.7426 297.6605 -161213.6841 -109061.6467 299.2402 128.1525 154.2313 760686.0899 15.7853 15.7938 PRESSURE: 3496800 211.512 12.3055 -6.09196 12.3062 287.28 -59.8947 -6.09234 -59.8943 60.743 GPRESSURE: 3496800 162.599 32.4691 -60.6464 72.4368 368.142 -19.0246 21.3292 -42.0181 123.145 PRESSAVG: 3496800 -2.57282 -37.0408 -45.0376 -37.0408 -0.408933 -45.0665 -45.0376 -45.0665 -34.0406 GPRESSAVG: 3496800 -2.82775 -36.3463 -45.0722 -35.843 0.238585 -45.4926 -44.221 -44.4898 -34.1551 TIMING: 3496800 CPU: 11049.1, 0.00317662/step Wall: 11049.1, 0.00317662/step, 1.32642 hours remaining, 235.394531 MB of memory in use. ENERGY: 3496800 4030.8201 20620.3599 14423.7060 243.3847 -203711.2165 2905.5837 0.0000 0.0000 52228.5536 -109258.8085 300.1582 -161487.3621 -108895.0338 299.7129 186.5116 217.9621 761616.3727 -12.3408 -12.2481 PRESSURE: 3497000 -113.541 -101.659 68.3211 -101.659 44.6245 -20.0467 68.3208 -20.0475 -19.8172 GPRESSURE: 3497000 23.9139 -125.093 122.233 -106.918 -58.8725 -70.9462 32.6714 -33.6253 33.8209 PRESSAVG: 3497000 0.307701 -45.8945 -6.08197 -45.8944 7.00355 7.3999 -6.08196 7.39982 9.89803 GPRESSAVG: 3497000 -0.515871 -45.0527 -4.85079 -44.9184 6.19184 6.50413 -3.91031 8.78674 11.505 TIMING: 3497000 CPU: 11049.8, 0.00315744/step Wall: 11049.8, 0.00315744/step, 1.31823 hours remaining, 235.597656 MB of memory in use. ENERGY: 3497000 4006.3918 20670.8728 14412.1050 235.4193 -203272.5135 2501.4306 0.0000 0.0000 51938.7182 -109507.5757 298.4925 -161446.2939 -109155.2423 299.4425 -29.5780 -0.3792 761850.7220 5.7364 5.7270 PRESSURE: 3497200 213.569 40.7719 -51.6088 40.7719 101.123 -127.035 -51.6087 -127.035 -30.7673 GPRESSURE: 3497200 211.88 -2.87884 -34.5613 -11.1888 158.913 -154.624 -30.644 -28.9654 -11.6808 PRESSAVG: 3497200 -33.5316 5.94389 -34.8167 5.94397 16.163 -65.8041 -34.8167 -65.8041 6.52513 GPRESSAVG: 3497200 -33.8718 4.48009 -35.1077 4.79841 17.3628 -64.9421 -35.9363 -65.9049 5.93864 TIMING: 3497200 CPU: 11050.4, 0.00317215/step Wall: 11050.4, 0.00317215/step, 1.3242 hours remaining, 235.597656 MB of memory in use. ENERGY: 3497200 3973.3295 20547.0160 14412.9224 257.7576 -203080.5149 2548.5900 0.0000 0.0000 51818.1297 -109522.7698 297.7995 -161340.8995 -109161.3233 298.8621 94.6414 119.7039 763027.4826 -3.6145 -3.5234 PRESSURE: 3497400 -348.099 -184.577 75.3891 -184.577 -16.8643 43.394 75.3887 43.3947 -320.079 GPRESSURE: 3497400 -266.202 -100.685 119.288 -192.116 10.7846 37.061 -145.491 67.2486 -347.309 PRESSAVG: 3497400 5.37842 -21.735 -12.634 -21.735 -0.683601 -16.8156 -12.634 -16.8156 13.6743 GPRESSAVG: 3497400 6.45484 -19.8936 -13.2315 -21.5845 -1.5718 -15.8352 -13.6214 -17.8842 13.3398 TIMING: 3497400 CPU: 11051, 0.00315509/step Wall: 11051, 0.00315509/step, 1.3169 hours remaining, 235.597656 MB of memory in use. ENERGY: 3497400 3982.0551 20751.8907 14431.8324 245.1248 -203070.0084 2432.5980 0.0000 0.0000 51654.7265 -109571.7809 296.8604 -161226.5075 -109214.1321 298.6726 -228.3475 -200.9087 762653.8164 6.1231 6.0743 PRESSURE: 3497600 103.771 123.775 -96.6613 123.774 526.051 118.686 -96.6593 118.687 317.073 GPRESSURE: 3497600 90.7953 228.201 -191.975 75.0629 526.415 100.568 -41.5964 87.3252 416.623 PRESSAVG: 3497600 0.0569122 -7.84091 -65.7372 -7.84085 24.0966 54.9176 -65.7372 54.9175 -6.52469 GPRESSAVG: 3497600 0.659701 -7.82105 -65.3694 -8.30886 23.7031 52.2387 -68.3081 55.5525 -6.24204 TIMING: 3497600 CPU: 11051.7, 0.00316928/step Wall: 11051.7, 0.00316928/step, 1.32265 hours remaining, 235.597656 MB of memory in use. ENERGY: 3497600 3969.6565 20597.0718 14413.8111 262.2041 -203489.5759 2818.5618 0.0000 0.0000 52045.2434 -109383.0272 299.1047 -161428.2706 -109016.0990 299.0620 315.6313 344.6110 760412.3405 5.8763 6.0403 PRESSURE: 3497800 128.802 -84.4522 72.1537 -84.4526 -130.996 264.755 72.1536 264.755 -211.772 GPRESSURE: 3497800 144.179 -114.043 161.592 -48.8148 -2.45847 260.318 64.0876 204.538 -257.874 PRESSAVG: 3497800 2.43497 -13.9595 -6.49436 -13.9596 42.9524 29.2992 -6.49435 29.2993 -1.64529 GPRESSAVG: 3497800 2.52404 -13.3092 -6.81263 -14.8576 42.731 31.5483 -2.36576 27.7913 -1.89461 TIMING: 3497800 CPU: 11052.3, 0.00316374/step Wall: 11052.3, 0.00316374/step, 1.32016 hours remaining, 235.597656 MB of memory in use. ENERGY: 3497800 4016.9193 20465.5391 14443.2301 247.3396 -203054.0640 2533.2979 0.0000 0.0000 51912.3782 -109435.3598 298.3412 -161347.7380 -109074.2198 299.1688 -71.3218 -38.7180 759771.6350 14.5807 14.4535 PRESSURE: 3498000 184.509 -248.026 140.709 -248.027 43.0703 126.379 140.709 126.379 -269.198 GPRESSURE: 3498000 152.516 -163.171 89.3533 -254.506 144.998 111.61 184.805 221.858 -232.543 PRESSAVG: 3498000 30.5027 -11.9181 18.0017 -11.9181 -9.4522 -36.1897 18.0017 -36.1897 -25.5191 GPRESSAVG: 3498000 29.2446 -12.618 18.4076 -9.973 -9.57283 -37.5605 16.3805 -34.6207 -24.1964 TIMING: 3498000 CPU: 11052.9, 0.00316516/step Wall: 11052.9, 0.00316516/step, 1.32058 hours remaining, 235.597656 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: 3498000 4052.6203 20569.6631 14458.3584 243.6371 -203271.1449 2578.0878 0.0000 0.0000 51987.8731 -109380.9051 298.7750 -161368.7782 -109024.2268 299.0244 -13.8727 21.6570 760565.8586 -1.4895 -1.5082 PRESSURE: 3498200 -14.5142 0.658917 -279.251 0.658901 -228.744 -244.33 -279.251 -244.331 69.8922 GPRESSURE: 3498200 25.5515 -10.1117 -252.142 83.0322 -228.009 -273.741 -408.961 -242.819 123.272 PRESSAVG: 3498200 26.6149 -54.7892 -2.56513 -54.7892 24.1484 -0.882046 -2.56514 -0.882101 -9.4246 GPRESSAVG: 3498200 27.2968 -55.7228 -4.39798 -53.746 24.0568 -0.0708295 -1.53103 1.21483 -10.1494 TIMING: 3498200 CPU: 11053.6, 0.00316097/step Wall: 11053.6, 0.00316097/step, 1.31865 hours remaining, 235.597656 MB of memory in use. ENERGY: 3498200 3898.4278 20464.9427 14410.5473 235.6677 -203469.1951 2629.9043 0.0000 0.0000 52237.2472 -109592.4581 300.2082 -161829.7053 -109230.6339 299.6107 -57.7888 -26.3953 759136.2502 13.7796 13.7347 PRESSURE: 3498400 346.845 0.0411703 190.335 0.0415271 106.376 -11.3989 190.335 -11.3997 53.639 GPRESSURE: 3498400 276.386 90.0993 233.011 28.7125 194.642 4.10191 202.741 53.8756 119.64 PRESSAVG: 3498400 20.1173 -40.2856 -62.754 -40.2856 -44.0588 -6.69467 -62.754 -6.69461 6.14483 GPRESSAVG: 3498400 19.7853 -36.2796 -62.7594 -42.2185 -43.6796 -5.11245 -61.3247 -8.56431 6.38687 TIMING: 3498400 CPU: 11054.2, 0.00317666/step Wall: 11054.2, 0.00317666/step, 1.32502 hours remaining, 235.597656 MB of memory in use. ENERGY: 3498400 3994.5472 20533.0321 14463.5086 264.5066 -203789.5450 2776.0356 0.0000 0.0000 52080.7839 -109677.1309 299.3090 -161757.9149 -109306.9735 298.9593 168.9534 196.8897 761000.3774 -5.9322 -5.8358 PRESSURE: 3498600 -324.603 40.7965 63.0106 40.7966 -272.718 58.9432 63.0102 58.9424 -12.6584 GPRESSURE: 3498600 -215.916 39.0395 144.089 -11.3405 -293.705 25.7994 -27.2751 72.5014 -14.3513 PRESSAVG: 3498600 -57.9637 -0.337368 4.22726 -0.337294 40.6717 10.8081 4.22724 10.8081 -14.766 GPRESSAVG: 3498600 -57.1087 -5.37955 5.88081 1.05054 40.8166 9.90793 3.18322 9.72302 -15.4442 TIMING: 3498600 CPU: 11054.8, 0.00317578/step Wall: 11054.8, 0.00317578/step, 1.32448 hours remaining, 235.597656 MB of memory in use. ENERGY: 3498600 3986.2723 20332.3136 14454.2969 233.4846 -203371.5123 2587.5758 0.0000 0.0000 51983.7680 -109793.8011 298.7514 -161777.5692 -109431.3657 298.6575 -203.3267 -174.6575 762300.3905 -10.6860 -10.5788 PRESSURE: 3498800 113.331 179.6 -139.912 179.6 395.038 172.908 -139.911 172.908 -139.876 GPRESSURE: 3498800 108.527 115.538 -108.789 276.654 500.526 205.233 -5.9826 361.6 -174.289 PRESSAVG: 3498800 -46.4026 -34.1755 18.3656 -34.1756 26.1459 16.4794 18.3656 16.4793 -14.0449 GPRESSAVG: 3498800 -46.0902 -31.4233 18.3648 -34.0439 25.8395 16.4532 18.6723 18.0696 -14.306 TIMING: 3498800 CPU: 11055.5, 0.0031724/step Wall: 11055.5, 0.0031724/step, 1.32289 hours remaining, 235.800781 MB of memory in use. ENERGY: 3498800 3963.5002 20435.3284 14409.5452 253.0161 -204040.6622 2878.1017 0.0000 0.0000 52244.7900 -109856.3806 300.2515 -162101.1706 -109500.9046 298.3078 122.8311 144.9213 760338.7366 -11.4339 -11.5189 PRESSURE: 3499000 8.59294 -125.043 -62.172 -125.043 -91.5896 171.668 -62.1709 171.667 154.535 GPRESSURE: 3499000 -26.0107 -132.841 -135.686 -28.6759 34.9764 111.644 -106.284 14.8659 136.218 PRESSAVG: 3499000 13.0947 -34.8992 -25.9237 -34.8992 1.38155 40.8657 -25.9236 40.8656 3.03918 GPRESSAVG: 3499000 12.645 -35.6493 -26.9069 -34.6517 1.78675 39.2516 -28.522 40.2255 3.24128 TIMING: 3499000 CPU: 11056.1, 0.00317125/step Wall: 11056.1, 0.00317125/step, 1.32224 hours remaining, 235.800781 MB of memory in use. ENERGY: 3499000 3937.5433 20427.5124 14388.4390 247.8043 -203401.8884 2624.0002 0.0000 0.0000 52135.1514 -109641.4378 299.6214 -161776.5892 -109284.6591 299.3260 23.8461 48.3947 761957.0801 5.8385 5.8910 PRESSURE: 3499200 -192.376 6.2846 -10.8942 6.28367 -270.934 145.527 -10.8939 145.528 -76.1777 GPRESSURE: 3499200 -130.875 -40.8191 -54.2079 40.8647 -264.234 59.9997 -2.6962 163.953 -61.1673 PRESSAVG: 3499200 -11.9164 -59.8676 -43.2519 -59.8676 27.6245 1.20421 -43.2519 1.20424 2.7705 GPRESSAVG: 3499200 -12.1604 -60.2521 -42.6671 -60.6007 27.0115 2.11619 -39.3123 0.356484 3.60569 TIMING: 3499200 CPU: 11056.7, 0.00318472/step Wall: 11056.7, 0.00318472/step, 1.32767 hours remaining, 235.800781 MB of memory in use. ENERGY: 3499200 4010.2717 20592.8211 14463.2412 249.1253 -203153.4127 2535.0320 0.0000 0.0000 51886.8938 -109416.0277 298.1947 -161302.9214 -109055.4014 299.0643 -179.8293 -152.0918 763210.7510 6.1595 6.1522 PRESSURE: 3499400 58.3212 -72.0169 198.757 -72.017 91.8702 -126.456 198.757 -126.455 337.096 GPRESSURE: 3499400 156.556 -137.461 175.373 29.2692 93.0117 -93.7945 81.5867 -236.555 349.686 PRESSAVG: 3499400 45.052 -39.7883 26.3847 -39.7883 -55.4646 16.0916 26.3847 16.0915 -12.2712 GPRESSAVG: 3499400 45.5949 -40.4651 26.0003 -40.6647 -53.8194 14.8219 23.2874 16.0515 -14.8375 TIMING: 3499400 CPU: 11057.4, 0.00319436/step Wall: 11057.4, 0.00319436/step, 1.33151 hours remaining, 235.800781 MB of memory in use. ENERGY: 3499400 4002.1890 20477.9543 14421.3328 240.9806 -203160.1879 2440.3190 0.0000 0.0000 52028.7159 -109548.6963 299.0097 -161577.4122 -109188.7435 299.3219 162.4292 199.7513 761040.3447 -7.5612 -7.6873 PRESSURE: 3499600 -130.258 127.205 -198.603 127.204 -225.709 -170.603 -198.603 -170.603 -141.043 GPRESSURE: 3499600 -62.9757 113.816 -102.605 60.251 -171.322 -188.552 -236.223 -143.441 -157.892 PRESSAVG: 3499600 73.3094 -24.7408 28.5105 -24.7407 -27.6984 -4.4847 28.5106 -4.48468 5.11345 GPRESSAVG: 3499600 72.3482 -26.3696 29.762 -23.2692 -27.8979 -3.12643 28.7263 -4.12895 6.22964 TIMING: 3499600 CPU: 11058, 0.00317967/step Wall: 11058, 0.00317967/step, 1.32522 hours remaining, 235.800781 MB of memory in use. ENERGY: 3499600 4012.1567 20607.7470 14403.1494 252.0702 -203155.9415 2305.0729 0.0000 0.0000 52074.5491 -109501.1962 299.2731 -161575.7453 -109141.9794 299.1538 -165.6699 -130.7299 761887.8894 16.9082 16.8933 PRESSURE: 3499800 -92.9914 -29.7964 397.373 -29.7973 -83.0283 271.538 397.373 271.538 71.8313 GPRESSURE: 3499800 -126.437 14.1256 443.975 -118.498 -5.35133 199.49 296.17 110.726 104.875 PRESSAVG: 3499800 -12.8064 20.6922 50.0439 20.6922 13.955 -37.0101 50.0439 -37.0101 24.1618 GPRESSAVG: 3499800 -11.5841 22.7133 49.77 18.6464 13.5072 -37.5607 50.3691 -38.2443 24.1845 TIMING: 3499800 CPU: 11058.6, 0.00318786/step Wall: 11058.6, 0.00318786/step, 1.32845 hours remaining, 235.800781 MB of memory in use. ENERGY: 3499800 3995.0079 20562.4603 14384.2607 223.2104 -203446.5205 2488.8252 0.0000 0.0000 52133.9039 -109658.8521 299.6143 -161792.7560 -109301.0931 299.0392 -34.7295 -8.9710 762709.4478 8.4368 8.7026 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES PRESSURE: 3500000 -325.256 99.7764 3.85953 99.7774 -248.3 -79.3018 3.85967 -79.3012 23.8986 GPRESSURE: 3500000 -270.036 117.002 31.3195 93.4647 -264.703 -61.778 -86.3545 -182.981 59.3399 PRESSAVG: 3500000 -12.4305 54.3335 33.2001 54.3335 0.175628 32.6423 33.2001 32.6423 10.2999 GPRESSAVG: 3500000 -12.4223 54.4559 33.177 56.7332 0.583655 31.3419 33.2099 34.4805 9.45051 TIMING: 3500000 CPU: 11059.3, 0.00325696/step Wall: 11059.3, 0.00325696/step, 1.35707 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: 3500000 4022.7170 20614.2893 14382.1197 260.9799 -203237.4451 2437.1691 0.0000 0.0000 52023.1322 -109497.0379 298.9777 -161520.1701 -109132.2929 299.4245 -183.2192 -158.4664 762881.4550 -0.6517 -0.7960 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500200 -43.0153 143.013 -129.069 143.012 -108.628 63.0492 -129.069 63.0493 -25.2717 GPRESSURE: 3500200 34.2398 99.4192 -98.5949 171.288 -34.5817 -12.1433 -13.216 11.218 -77.7462 PRESSAVG: 3500200 6.31763 48.1518 60.1095 48.1517 -25.261 25.9258 60.1095 25.9258 -4.52132 GPRESSAVG: 3500200 5.3236 47.0964 59.4797 44.8311 -25.4012 26.2658 60.7034 26.8745 -3.25297 TIMING: 3500200 CPU: 11059.9, 0.00320725/step Wall: 11059.9, 0.00320725/step, 1.33618 hours remaining, 235.800781 MB of memory in use. ENERGY: 3500200 4018.0936 20505.3705 14444.8172 244.2523 -203421.2782 2692.9462 0.0000 0.0000 52283.5147 -109232.2836 300.4741 -161515.7984 -108870.9500 299.6605 -58.9716 -26.0293 762135.3821 -7.8216 -7.7768 LDB: ============= START OF LOAD BALANCING ============== 11072.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11072.5 LDB: =============== DONE WITH MIGRATION ================ 11072.5 LDB: ============= START OF LOAD BALANCING ============== 11072.8 LDB: Largest compute 7048 load 0.032908 is 16.8% of average load 0.195589 LDB: Average compute 0.004384 is 2.2% of average load 0.195589 LDB: TIME 11072.8 LOAD: AVG 0.195589 MAX 0.215299 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 11072.8 LOAD: AVG 0.195589 MAX 0.215299 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 11072.8 LOAD: AVG 0.195589 MAX 0.215299 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 11072.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11072.8 PRESSURE: 3500400 -103.546 -198.756 28.3519 -198.757 46.8202 251.794 28.3523 251.793 0.315247 GPRESSURE: 3500400 -74.4812 -190.728 -27.4382 -22.5679 81.3976 300.077 -51.7518 195.607 25.7277 PRESSAVG: 3500400 19.8603 48.2771 14.1797 48.2771 -21.708 8.81685 14.1797 8.81683 -6.11195 GPRESSAVG: 3500400 20.4084 48.5993 14.401 50.7581 -21.9816 9.03041 13.3072 7.51583 -6.24891 TIMING: 3500400 CPU: 11060.6, 0.00323702/step Wall: 11060.6, 0.00323702/step, 1.3484 hours remaining, 236.164062 MB of memory in use. ENERGY: 3500400 3962.1560 20537.0222 14293.0707 260.9242 -202816.7379 2389.3728 0.0000 0.0000 52225.1927 -109148.9992 300.1389 -161374.1920 -108781.0990 299.7642 -18.8035 10.8814 763849.3718 -2.6532 -2.6074 PRESSURE: 3500600 32.5268 -211.486 -165.927 -211.485 -458.674 113.428 -165.926 113.428 -137.424 GPRESSURE: 3500600 -0.510012 -256.674 -40.6953 -147.117 -450.904 122.678 -150.653 27.4627 -36.8063 PRESSAVG: 3500600 30.3421 -30.9064 9.37167 -30.9064 -31.8739 3.20622 9.37164 3.20621 15.0665 GPRESSAVG: 3500600 29.9733 -31.4763 10.0917 -31.575 -33.1929 4.69754 10.786 0.18949 16.754 TIMING: 3500600 CPU: 11061.2, 0.00316484/step Wall: 11061.2, 0.00316484/step, 1.31816 hours remaining, 236.644531 MB of memory in use. ENERGY: 3500600 4013.0221 20498.5111 14366.7270 269.4833 -202660.9024 2243.6669 0.0000 0.0000 51854.3182 -109415.1736 298.0075 -161269.4918 -109050.5410 299.5674 -187.8573 -162.7401 762729.4383 4.5116 4.5114 PRESSURE: 3500800 -168 -132.524 -74.1213 -132.524 141.687 -34.2461 -74.1209 -34.246 63.4383 GPRESSURE: 3500800 -141.691 -115.112 -75.1958 -197.99 234.886 -9.64178 106.862 71.6655 32.5033 PRESSAVG: 3500800 7.88914 -53.055 -79.7194 -53.055 25.5719 22.259 -79.7194 22.259 3.14055 GPRESSAVG: 3500800 7.14066 -51.3764 -80.2131 -52.6379 28.156 21.6503 -79.5432 26.0478 1.51773 TIMING: 3500800 CPU: 11061.9, 0.00320765/step Wall: 11061.9, 0.00320765/step, 1.33581 hours remaining, 236.660156 MB of memory in use. ENERGY: 3500800 3987.2350 20471.9197 14361.8607 253.8462 -202838.5302 2206.8840 0.0000 0.0000 52078.2730 -109478.5115 299.2946 -161556.7845 -109108.1303 299.1030 12.3752 41.8994 762799.4781 12.2005 12.2715 PRESSURE: 3501000 -3.49961 71.4748 -83.5246 71.4752 -98.1 -24.2433 -83.5259 -24.243 -521.927 GPRESSURE: 3501000 27.1184 19.4049 -111.08 47.0501 -52.8042 -48.8257 -7.23428 54.7539 -494.374 PRESSAVG: 3501000 -10.7429 -16.0222 -40.0991 -16.0222 31.7582 24.1713 -40.0992 24.1713 -10.4329 GPRESSAVG: 3501000 -9.16842 -17.6216 -40.2812 -15.7241 31.0404 23.7357 -40.5124 24.3282 -10.8692 TIMING: 3501000 CPU: 11062.5, 0.00318104/step Wall: 11062.5, 0.00318104/step, 1.32455 hours remaining, 236.660156 MB of memory in use. ENERGY: 3501000 4053.7256 20469.2424 14393.9547 263.6955 -202881.2080 2324.4686 0.0000 0.0000 51874.9332 -109501.1880 298.1260 -161376.1212 -109143.2054 298.7964 -207.8423 -173.3531 763513.9820 3.5275 3.6676 PRESSURE: 3501200 34.4376 85.8047 -223.837 85.8045 102.593 -120.29 -223.837 -120.292 -126.53 GPRESSURE: 3501200 55.409 -55.1119 -187.619 207.996 160.586 -103 -164.97 -67.2112 -117.168 PRESSAVG: 3501200 38.3335 86.7428 -20.9621 86.7428 -18.3893 -22.9688 -20.9621 -22.9689 -5.7763 GPRESSAVG: 3501200 37.6174 85.5291 -22.0666 87.0092 -18.1562 -24.5844 -19.8043 -22.9598 -5.07892 TIMING: 3501200 CPU: 11063.1, 0.00316954/step Wall: 11063.1, 0.00316954/step, 1.31959 hours remaining, 236.660156 MB of memory in use. ENERGY: 3501200 4034.0478 20502.8230 14389.6109 235.6086 -203446.6963 2852.4401 0.0000 0.0000 51805.4451 -109626.7208 297.7266 -161432.1659 -109272.2179 298.5302 3.5005 32.9422 762004.6010 4.7226 4.7941 PRESSURE: 3501400 260.3 -49.5173 144.198 -49.5167 -123.51 131.216 144.198 131.215 -57.6795 GPRESSURE: 3501400 160.77 -67.7018 237.486 45.1554 -49.5241 116.13 18.0512 157.683 47.7062 PRESSAVG: 3501400 37.6657 22.0235 -20.5919 22.0235 -29.267 17.2554 -20.5919 17.2553 20.3064 GPRESSAVG: 3501400 37.3478 24.5124 -19.6061 21.2009 -29.743 17.4903 -22.3372 16.6153 21.048 TIMING: 3501400 CPU: 11063.8, 0.00314662/step Wall: 11063.8, 0.00314662/step, 1.30987 hours remaining, 236.660156 MB of memory in use. ENERGY: 3501400 3926.8330 20501.7001 14453.7980 236.8567 -203350.1574 2506.9075 0.0000 0.0000 52305.7205 -109418.3417 300.6017 -161724.0621 -109055.2658 299.0824 26.3702 52.9839 761332.2044 9.5684 9.5509 PRESSURE: 3501600 -153.26 13.5547 -107.433 13.555 -231.257 -99.4651 -107.432 -99.4649 -25.8641 GPRESSURE: 3501600 -146.477 89.5721 -156.748 26.1663 -87.1932 -147.111 -57.8129 -138.005 -100.271 PRESSAVG: 3501600 -37.9125 17.0188 -72.3321 17.0188 80.6747 27.7584 -72.3321 27.7584 10.3657 GPRESSAVG: 3501600 -37.9286 15.6374 -72.7612 15.2794 81.5751 29.4942 -72.2621 26.1712 9.06087 TIMING: 3501600 CPU: 11064.4, 0.00318387/step Wall: 11064.4, 0.00318387/step, 1.3252 hours remaining, 236.660156 MB of memory in use. ENERGY: 3501600 4033.1062 20511.8802 14397.6265 253.7163 -203494.4089 2761.8332 0.0000 0.0000 52036.6469 -109499.5996 299.0553 -161536.2465 -109140.3260 299.4826 -136.7936 -111.3138 761420.8365 17.7093 17.5691 PRESSURE: 3501800 32.909 -198.167 -57.4807 -198.168 -123.268 55.3323 -57.4801 55.3308 -483.588 GPRESSURE: 3501800 45.0511 -164.64 -130.775 -93.4333 -146.123 27.3677 -78.8158 -35.4829 -388.558 PRESSAVG: 3501800 17.9382 4.60718 12.3071 4.6072 -41.804 -11.4151 12.3072 -11.415 7.53886 GPRESSAVG: 3501800 18.4395 5.57719 12.1491 6.83432 -42.2069 -10.9299 12.8935 -11.1657 8.02949 TIMING: 3501800 CPU: 11065, 0.0031849/step Wall: 11065, 0.00318491/step, 1.32545 hours remaining, 236.660156 MB of memory in use. ENERGY: 3501800 3944.4077 20344.3120 14380.2136 253.8306 -203106.0637 2338.2374 0.0000 0.0000 52158.6196 -109686.4428 299.7563 -161845.0624 -109314.8689 298.4865 -191.3158 -163.2099 762357.2102 -5.4423 -5.2460 PRESSURE: 3502000 -227.527 -231.803 -11.7179 -231.802 91.5185 44.5079 -11.718 44.5082 -52.1916 GPRESSURE: 3502000 -117.162 -154.867 -137.247 -184.467 109.669 8.06809 95.6672 82.055 -90.36 PRESSAVG: 3502000 -24.6587 35.2772 13.0661 35.2773 51.1942 -35.5331 13.0661 -35.5331 7.49287 GPRESSAVG: 3502000 -24.1948 35.4537 13.7032 35.4956 50.9765 -37.1753 12.4751 -34.3133 7.96431 TIMING: 3502000 CPU: 11065.7, 0.00316555/step Wall: 11065.7, 0.00316554/step, 1.31722 hours remaining, 236.660156 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: 3502000 3939.5878 20470.0685 14405.2937 251.8307 -203176.7915 2327.3308 0.0000 0.0000 52073.7621 -109708.9179 299.2686 -161782.6801 -109346.7531 298.4792 -62.7333 -32.6176 760206.9757 11.3428 11.5820 PRESSURE: 3502200 -200.383 -22.5792 187.683 -22.5793 -134 30.5474 187.683 30.5477 71.2416 GPRESSURE: 3502200 -164.976 40.7054 115.998 74.8688 -26.1688 -43.1441 241.446 -35.7628 -10.2564 PRESSAVG: 3502200 29.7453 -23.7836 -2.80949 -23.7835 18.5567 -3.56532 -2.80954 -3.56528 -34.5534 GPRESSAVG: 3502200 29.9755 -23.2729 -3.90758 -23.6895 18.6512 -2.24646 -2.94523 -5.85817 -35.0078 TIMING: 3502200 CPU: 11066.3, 0.00316464/step Wall: 11066.3, 0.00316464/step, 1.31667 hours remaining, 236.660156 MB of memory in use. ENERGY: 3502200 3997.2023 20384.9009 14368.0766 261.5655 -203448.3598 2522.5501 0.0000 0.0000 52163.4710 -109750.5934 299.7842 -161914.0644 -109406.0132 298.7562 -87.7138 -67.1337 759594.9177 4.5829 4.5396 PRESSURE: 3502400 134.685 -178.69 97.7672 -178.69 -342.431 55.1125 97.7675 55.1131 240.509 GPRESSURE: 3502400 176.063 -147.556 65.4134 -161.229 -276.699 -14.3467 29.1749 -4.27675 225.233 PRESSAVG: 3502400 55.1634 -61.3301 -42.0507 -61.3302 -63.5991 -1.99917 -42.0506 -1.99916 14.8461 GPRESSAVG: 3502400 55.4993 -61.5081 -41.0816 -62.7222 -64.1712 -2.25052 -42.1866 -0.823333 14.9326 TIMING: 3502400 CPU: 11066.9, 0.00316405/step Wall: 11066.9, 0.00316405/step, 1.31624 hours remaining, 236.660156 MB of memory in use. ENERGY: 3502400 4015.5390 20374.9755 14401.3859 261.2343 -203096.5561 2386.9948 0.0000 0.0000 51794.8420 -109861.5847 297.6657 -161656.4267 -109508.2141 298.6343 10.9212 41.5321 760749.0146 2.1368 2.0869 PRESSURE: 3502600 -262.719 -44.5437 -19.2784 -44.5437 -8.46378 212.602 -19.2776 212.601 517.255 GPRESSURE: 3502600 -164.289 -10.4513 -20.5953 -101.557 37.3882 203.823 79.52 260.461 460.562 PRESSAVG: 3502600 -12.587 -29.4075 33.9219 -29.4075 14.4651 22.9124 33.9219 22.9124 -25.1171 GPRESSAVG: 3502600 -13.0107 -28.3318 32.5788 -32.8278 16.0749 22.7137 35.3759 21.5935 -25.8476 TIMING: 3502600 CPU: 11067.6, 0.00317097/step Wall: 11067.6, 0.00317097/step, 1.31895 hours remaining, 236.898438 MB of memory in use. ENERGY: 3502600 4029.7245 20378.7133 14430.9647 254.1245 -203156.0536 2398.2736 0.0000 0.0000 51835.8335 -109828.4194 297.9012 -161664.2529 -109472.7169 298.4561 82.0243 111.2205 760169.2108 -7.7463 -7.5945 PRESSURE: 3502800 -50.7796 -148.458 293.917 -148.457 -539.173 4.42505 293.917 4.42557 -283.31 GPRESSURE: 3502800 -88.7257 -133.989 288.406 -161.336 -407.278 -142.18 346.503 77.7462 -288.475 PRESSAVG: 3502800 49.8875 -17.9252 -5.67908 -17.9252 -16.458 7.31772 -5.67907 7.31777 6.66534 GPRESSAVG: 3502800 49.7887 -19.164 -3.82492 -13.9349 -17.8359 6.42571 -5.48363 8.99359 7.66714 TIMING: 3502800 CPU: 11068.2, 0.00316034/step Wall: 11068.2, 0.00316034/step, 1.31435 hours remaining, 236.898438 MB of memory in use. ENERGY: 3502800 3986.4173 20565.5880 14478.4282 234.1859 -203119.5043 2252.7221 0.0000 0.0000 51816.3701 -109785.7926 297.7894 -161602.1627 -109429.8163 298.5040 -291.0877 -261.4928 760252.0614 13.3649 13.2066 PRESSURE: 3503000 95.3735 -387.268 -130.884 -387.268 -6.96864 -0.776182 -130.884 -0.776311 -173.387 GPRESSURE: 3503000 71.9237 -322.692 -62.4964 -258.661 126.844 -46.5567 -56.1701 6.26871 -219.651 PRESSAVG: 3503000 -23.3363 -50.2926 -15.7455 -50.2925 -22.2942 19.8347 -15.7454 19.8347 -6.11875 GPRESSAVG: 3503000 -24.3129 -48.6532 -16.4075 -52.6332 -21.6373 21.0735 -18.3358 21.433 -6.54993 TIMING: 3503000 CPU: 11068.8, 0.00319285/step Wall: 11068.8, 0.00319285/step, 1.32769 hours remaining, 236.898438 MB of memory in use. ENERGY: 3503000 3967.9172 20274.3321 14422.3158 243.4823 -203179.4005 2354.8607 0.0000 0.0000 52074.8231 -109841.6692 299.2747 -161916.4923 -109480.7019 298.5265 -28.3272 -6.9611 761527.0790 -17.2497 -17.5000 PRESSURE: 3503200 -88.9683 161.966 97.2223 161.966 254.917 13.0795 97.2214 13.079 -108.778 GPRESSURE: 3503200 8.46704 200.354 24.5836 40.5326 301.767 -30.8639 180.601 70.6132 -186.358 PRESSAVG: 3503200 -32.0538 -64.017 -45.8807 -64.017 7.11082 0.894797 -45.8808 0.894853 -1.12986 GPRESSAVG: 3503200 -31.8753 -65.4676 -46.3557 -61.7885 7.0192 0.277838 -44.0939 -1.14419 -1.12655 TIMING: 3503200 CPU: 11069.5, 0.00319097/step Wall: 11069.5, 0.00319097/step, 1.32673 hours remaining, 236.898438 MB of memory in use. ENERGY: 3503200 3926.8890 20508.2002 14411.1946 250.5266 -203249.4053 2445.2349 0.0000 0.0000 51853.1736 -109854.1865 298.0009 -161707.3601 -109496.4397 298.7874 19.0569 41.2922 760794.2014 -8.6910 -8.6609 PRESSURE: 3503400 116.068 8.59807 -148.647 8.59793 18.5161 109.016 -148.647 109.015 -268.897 GPRESSURE: 3503400 170.939 -51.1904 -227.573 -59.3856 52.5905 -9.67795 -179.986 66.5689 -264.77 PRESSAVG: 3503400 -13.6704 -15.4771 -36.871 -15.4772 11.5433 23.5326 -36.8709 23.5326 -29.991 GPRESSAVG: 3503400 -13.1324 -16.5173 -35.1475 -15.804 11.1872 22.549 -37.8222 23.2145 -29.8485 TIMING: 3503400 CPU: 11070.1, 0.00319063/step Wall: 11070.1, 0.00319063/step, 1.32641 hours remaining, 236.898438 MB of memory in use. ENERGY: 3503400 3921.6853 20544.6728 14387.4868 245.5123 -203152.2572 2379.6283 0.0000 0.0000 51741.9341 -109931.3377 297.3616 -161673.2718 -109568.7669 298.3099 -44.7712 -13.7467 761079.4118 -10.7060 -10.5979 PRESSURE: 3503600 68.7565 115.342 67.849 115.343 158.407 -121.787 67.8496 -121.787 101.301 GPRESSURE: 3503600 163.1 89.4853 63.3074 -50.9763 101.084 -58.3891 179.45 -25.6056 140.299 PRESSAVG: 3503600 10.5326 14.1191 27.5561 14.1191 31.999 16.5451 27.5561 16.5451 9.41332 GPRESSAVG: 3503600 10.3604 16.376 26.574 12.1653 32.2549 18.1976 30.3086 16.446 9.34872 TIMING: 3503600 CPU: 11070.8, 0.00318606/step Wall: 11070.8, 0.00318605/step, 1.32434 hours remaining, 236.898438 MB of memory in use. ENERGY: 3503600 3943.8447 20430.8865 14362.5426 227.8948 -203355.4926 2697.7488 0.0000 0.0000 51790.7970 -109901.7782 297.6424 -161692.5752 -109537.4112 298.2786 109.4880 134.8278 759562.0295 17.3150 17.3214 PRESSURE: 3503800 -43.0116 -123.175 225.711 -123.176 194.843 -446.618 225.711 -446.618 240.939 GPRESSURE: 3503800 12.7743 -66.2272 181.434 -110.777 200.909 -381.954 176.689 -294.621 246.478 PRESSAVG: 3503800 -47.0933 52.9383 -19.1117 52.9384 36.7256 -17.9305 -19.1117 -17.9305 -11.2689 GPRESSAVG: 3503800 -48.066 51.5268 -18.2491 55.5966 37.7653 -17.8271 -22.4362 -16.9314 -10.7027 TIMING: 3503800 CPU: 11071.4, 0.00319754/step Wall: 11071.4, 0.00319754/step, 1.32894 hours remaining, 236.898438 MB of memory in use. ENERGY: 3503800 3994.7335 20535.9562 14410.7542 228.0531 -203399.0284 2558.6088 0.0000 0.0000 52014.4967 -109656.4260 298.9280 -161670.9226 -109310.1709 298.7482 130.9236 153.3871 759073.0828 -7.2122 -7.0011 PRESSURE: 3504000 -440.897 -70.8512 146.362 -70.8515 -198.485 90.0117 146.362 90.01 -61.0652 GPRESSURE: 3504000 -268.581 9.00899 181.908 -35.6574 -179.361 81.6773 58.7128 -51.9829 -156.243 PRESSAVG: 3504000 -20.6814 -10.5825 0.00599554 -10.5825 19.9067 31.8813 0.00597119 31.8813 10.122 GPRESSAVG: 3504000 -19.5512 -9.62751 -2.8801 -12.7886 19.3377 30.8453 3.11499 31.6681 9.17848 TIMING: 3504000 CPU: 11072, 0.00321084/step Wall: 11072, 0.00321084/step, 1.33428 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: 3504000 4058.6351 20439.3395 14415.4062 249.3816 -203212.8005 2438.4259 0.0000 0.0000 51882.7445 -109728.8679 298.1708 -161611.6124 -109371.3819 298.7300 -233.4825 -201.3953 761216.1541 3.1158 2.9883 PRESSURE: 3504200 34.2087 -83.5226 -60.7241 -83.5222 -99.1366 10.9204 -60.7242 10.9208 301.32 GPRESSURE: 3504200 99.4755 -203.395 -130.639 -59.9648 -114.293 -75.5269 -113.345 16.635 327.036 PRESSAVG: 3504200 25.145 -5.72437 -40.6993 -5.72432 -40.6973 -41.271 -40.6993 -41.271 1.88464 GPRESSAVG: 3504200 25.4752 -5.90097 -40.0252 -3.48722 -42.4833 -42.0404 -41.3297 -41.1766 3.19111 TIMING: 3504200 CPU: 11072.7, 0.00319294/step Wall: 11072.7, 0.00319294/step, 1.32667 hours remaining, 236.898438 MB of memory in use. ENERGY: 3504200 3930.1547 20447.2073 14450.4118 213.8103 -203289.7982 2458.2017 0.0000 0.0000 52039.0301 -109750.9823 299.0690 -161790.0124 -109393.4789 298.3226 78.7975 104.0729 761151.9608 -4.5559 -4.6057 LDB: ============= START OF LOAD BALANCING ============== 11085.2 LDB: ============== END OF LOAD BALANCING =============== 11085.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11085.2 LDB: ============= START OF LOAD BALANCING ============== 11085.5 LDB: Largest compute 7027 load 0.031781 is 16.3% of average load 0.195523 LDB: Average compute 0.004385 is 2.2% of average load 0.195523 LDB: TIME 11085.5 LOAD: AVG 0.195523 MAX 0.214231 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.418 MB LDB: TIME 11085.5 LOAD: AVG 0.195523 MAX 0.214231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.418 MB LDB: TIME 11085.5 LOAD: AVG 0.195523 MAX 0.214231 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.418 MB LDB: ============== END OF LOAD BALANCING =============== 11085.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11085.5 PRESSURE: 3504400 152.969 -1.21765 126.66 -1.21845 -113.246 -111.773 126.659 -111.774 81.7032 GPRESSURE: 3504400 150.261 42.3043 84.431 -170.256 18.1552 -39.5322 117.245 -188.842 38.5903 PRESSAVG: 3504400 -62.2168 -17.3173 -27.9069 -17.3173 61.8138 42.2563 -27.9069 42.2563 13.4672 GPRESSAVG: 3504400 -63.2964 -16.3042 -26.3023 -19.5954 63.9651 43.7983 -28.2476 41.9354 12.7354 TIMING: 3504400 CPU: 11073.3, 0.00322831/step Wall: 11073.3, 0.00322831/step, 1.34119 hours remaining, 235.652344 MB of memory in use. ENERGY: 3504400 4007.9881 20445.8668 14392.3726 233.5116 -203966.2505 2833.0052 0.0000 0.0000 52232.8558 -109820.6505 300.1829 -162053.5062 -109458.3632 298.7362 40.4755 69.0022 761239.7114 4.3547 4.4680 PRESSURE: 3504600 -126.918 -15.8111 18.3714 -15.8105 -53.912 171.649 18.3724 171.65 47.1465 GPRESSURE: 3504600 -68.513 -121.742 8.94979 -25.4732 16.8876 264.593 -11.0084 176.272 16.6898 PRESSAVG: 3504600 -6.31115 -39.4503 -39.4607 -39.4503 24.4412 1.66673 -39.4607 1.66667 -8.83913 GPRESSAVG: 3504600 -4.24289 -39.7529 -38.9856 -38.7374 22.5976 1.39066 -42.2723 2.27601 -8.92889 TIMING: 3504600 CPU: 11074, 0.00315923/step Wall: 11074, 0.00315923/step, 1.31231 hours remaining, 235.652344 MB of memory in use. ENERGY: 3504600 3953.7168 20429.2963 14386.9805 254.8302 -203611.3184 2668.1295 0.0000 0.0000 52208.2835 -109710.0815 300.0417 -161918.3650 -109340.6882 299.0407 -44.5612 -11.6452 761180.0642 3.0970 3.1420 PRESSURE: 3504800 188.615 -53.8482 -147.721 -53.8469 -49.7301 -195.286 -147.72 -195.286 573.711 GPRESSURE: 3504800 234.256 -71.2404 -189.444 -25.1697 9.08085 -259.508 -82.4437 -123.533 546.775 PRESSAVG: 3504800 -9.40961 -5.96308 10.3753 -5.96306 -32.2963 62.5886 10.3753 62.5885 10.2335 GPRESSAVG: 3504800 -10.1818 -7.64759 8.67907 -5.67006 -32.2748 62.9658 13.9836 62.6248 10.5914 TIMING: 3504800 CPU: 11074.6, 0.00315585/step Wall: 11074.6, 0.00315585/step, 1.31073 hours remaining, 235.652344 MB of memory in use. ENERGY: 3504800 3975.4854 20582.6243 14454.5783 264.0084 -203632.1385 2656.5963 0.0000 0.0000 52028.7047 -109670.1411 299.0097 -161698.8458 -109302.7907 299.1204 237.5318 263.3708 760118.5175 -10.4908 -10.6218 PRESSURE: 3505000 51.3846 29.2933 50.1345 29.2934 115.702 -210.038 50.1355 -210.036 125.941 GPRESSURE: 3505000 65.1626 -102.729 -9.48177 81.6676 189.475 -128.623 -35.5827 -272.486 108.185 PRESSAVG: 3505000 19.2949 20.9807 -19.3744 20.9807 -13.6234 25.8473 -19.3743 25.8473 -0.671012 GPRESSAVG: 3505000 19.2155 20.7151 -21.1961 22.8279 -12.5969 27.3243 -21.1468 23.5429 -1.22286 TIMING: 3505000 CPU: 11075.2, 0.00318863/step Wall: 11075.2, 0.00318863/step, 1.32417 hours remaining, 235.652344 MB of memory in use. ENERGY: 3505000 3930.2029 20759.2875 14400.5248 256.6258 -203482.6992 2519.7284 0.0000 0.0000 51959.6008 -109656.7289 298.6125 -161616.3297 -109291.5114 298.9394 97.6760 120.9408 758951.0237 1.6669 1.7986 PRESSURE: 3505200 -291.308 249.698 11.7912 249.698 165.811 -215.045 11.7919 -215.045 150.942 GPRESSURE: 3505200 -269.534 100.724 40.9985 49.4041 196.082 -225.993 81.9125 -195.075 165.927 PRESSAVG: 3505200 -41.8709 25.1408 -10.4683 25.1408 55.5555 46.8779 -10.4683 46.8779 -8.19494 GPRESSAVG: 3505200 -43.4693 25.8522 -9.38037 23.3344 56.6039 45.5506 -11.0834 49.6781 -7.00155 TIMING: 3505200 CPU: 11075.9, 0.00319027/step Wall: 11075.9, 0.00319027/step, 1.32467 hours remaining, 235.652344 MB of memory in use. ENERGY: 3505200 4008.1456 20657.1538 14461.9767 230.8199 -203622.5886 2623.6114 0.0000 0.0000 51849.8988 -109790.9824 297.9821 -161640.8812 -109438.9828 299.2815 8.4816 30.8249 761397.9056 1.8299 2.0443 PRESSURE: 3505400 150.424 -9.48503 -222.425 -9.48576 208.143 258.191 -222.425 258.19 -4.22006 GPRESSURE: 3505400 123.54 -32.8602 -219.192 -81.9837 264.317 225.622 -115.793 136.637 78.8866 PRESSAVG: 3505400 -35.8121 -14.4094 -14.6245 -14.4095 25.7467 3.53282 -14.6245 3.53285 10.2927 GPRESSAVG: 3505400 -34.6351 -14.4084 -15.6487 -13.9422 24.3326 4.5564 -13.3159 2.9236 9.76903 TIMING: 3505400 CPU: 11076.5, 0.00317692/step Wall: 11076.5, 0.00317692/step, 1.31895 hours remaining, 235.652344 MB of memory in use. ENERGY: 3505400 4007.3020 20541.8086 14442.4866 253.4430 -203543.1733 2776.6423 0.0000 0.0000 51958.1658 -109563.3251 298.6043 -161521.4909 -109209.1498 298.6533 118.1157 155.5812 763048.8685 0.0758 -0.1778 PRESSURE: 3505600 -41.0587 48.6326 277.62 48.6314 164.213 -161.204 277.619 -161.205 -116.218 GPRESSURE: 3505600 -23.3356 -40.0873 276.659 -2.01758 209.613 -224.251 167.373 -175.737 -80.8356 PRESSAVG: 3505600 -43.825 -29.0364 1.97328 -29.0364 30.1156 30.3366 1.97332 30.3366 19.8793 GPRESSAVG: 3505600 -44.0572 -29.5988 5.44223 -30.833 31.0938 27.5753 -0.0100873 30.0849 18.9778 TIMING: 3505600 CPU: 11077.1, 0.00316564/step Wall: 11077.1, 0.00316564/step, 1.31409 hours remaining, 235.652344 MB of memory in use. ENERGY: 3505600 4016.6662 20617.7751 14453.2627 226.3259 -203828.9793 3100.4788 0.0000 0.0000 51909.2874 -109505.1832 298.3234 -161414.4706 -109139.3847 299.1347 2.3121 35.1472 763190.0662 2.0566 2.0048 PRESSURE: 3505800 -189.028 15.3087 65.3201 15.3083 146.354 -51.5929 65.3198 -51.5937 -14.8546 GPRESSURE: 3505800 -134.913 203.463 80.8593 0.305339 221.749 -4.98739 146.314 -18.0366 -70.426 PRESSAVG: 3505800 -3.4185 -24.0396 20.9585 -24.0396 18.068 -59.3664 20.9585 -59.3665 20.1633 GPRESSAVG: 3505800 -4.21435 -22.8339 19.4862 -22.2908 17.2299 -58.9923 23.0416 -58.4969 21.2645 TIMING: 3505800 CPU: 11077.8, 0.00317574/step Wall: 11077.8, 0.00317574/step, 1.31811 hours remaining, 235.652344 MB of memory in use. ENERGY: 3505800 4044.4629 20613.4565 14420.3667 257.7098 -203635.0733 2800.1995 0.0000 0.0000 52175.0236 -109323.8544 299.8506 -161498.8780 -108963.7384 299.4138 -19.1764 5.4699 763159.8458 11.6043 11.4267 PRESSURE: 3506000 -125.503 113.981 133.957 113.98 49.6251 -9.29316 133.957 -9.29344 -184.462 GPRESSURE: 3506000 -27.7007 55.8593 121.474 -39.0313 58.3943 -45.381 -64.8603 86.8696 -220.226 PRESSAVG: 3506000 -42.5446 -5.14148 19.3612 -5.1415 38.3034 2.34528 19.3613 2.34527 5.30367 GPRESSAVG: 3506000 -42.2444 -7.04396 19.7186 -5.96521 38.0003 3.21884 19.0467 3.67597 5.09738 TIMING: 3506000 CPU: 11078.4, 0.0031643/step Wall: 11078.4, 0.0031643/step, 1.31318 hours remaining, 235.652344 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: 3506000 4048.8620 20595.2224 14470.4784 232.7219 -203365.3033 2507.3669 0.0000 0.0000 52103.1789 -109407.4728 299.4377 -161510.6517 -109040.2934 299.8920 -86.7800 -63.1774 761544.1393 0.3542 0.2844 PRESSURE: 3506200 -153.769 -14.001 266.701 -14.0013 -418.344 140.531 266.702 140.532 -27.3628 GPRESSURE: 3506200 -132.872 91.8122 183.215 70.6328 -363.399 180.631 139.436 175.884 -9.15712 PRESSAVG: 3506200 -60.2757 29.7122 46.774 29.7123 19.2874 32.5002 46.7739 32.5002 -0.135159 GPRESSAVG: 3506200 -60.8506 32.5443 45.2656 28.3519 20.667 31.7237 45.9205 30.985 -0.327425 TIMING: 3506200 CPU: 11079, 0.00314557/step Wall: 11079, 0.00314557/step, 1.30524 hours remaining, 235.652344 MB of memory in use. ENERGY: 3506200 4024.7516 20668.3800 14413.6260 250.8534 -203259.7414 2531.2368 0.0000 0.0000 51989.9595 -109380.9339 298.7870 -161370.8934 -109023.3576 299.0657 -199.8253 -168.4763 760601.4330 -13.7078 -13.5037 PRESSURE: 3506400 76.6481 -0.863248 -110.682 -0.863205 -107.54 223.992 -110.682 223.993 12.4342 GPRESSURE: 3506400 160.606 -17.5747 -32.4535 79.6803 -60.3229 130.06 -93.0113 71.972 -41.523 PRESSAVG: 3506400 22.1714 36.5381 38.2043 36.5381 0.450902 -23.1456 38.2042 -23.1456 -29.0248 GPRESSAVG: 3506400 22.0157 34.8203 38.5854 38.0317 0.975139 -22.0771 39.0542 -22.5654 -29.182 TIMING: 3506400 CPU: 11079.7, 0.00315945/step Wall: 11079.7, 0.00315945/step, 1.31082 hours remaining, 235.652344 MB of memory in use. ENERGY: 3506400 3984.9715 20638.7853 14404.7825 280.2085 -203247.1096 2516.2334 0.0000 0.0000 52229.7730 -109192.3553 300.1652 -161422.1284 -108831.5583 299.7811 -6.1525 19.5867 762205.8717 -2.1342 -2.0637 PRESSURE: 3506600 -26.4907 127.709 -40.8778 127.71 228.917 51.3865 -40.8773 51.3879 -74.3879 GPRESSURE: 3506600 138.372 108.797 -44.2149 73.3146 178.76 144.961 -56.2789 68.9079 -84.2673 PRESSAVG: 3506600 -11.2529 -9.8185 22.902 -9.81843 -26.8376 -3.14048 22.902 -3.14053 -3.76493 GPRESSAVG: 3506600 -9.89627 -7.34905 23.0156 -9.29105 -28.0407 -4.66301 21.869 -3.54886 -4.62334 TIMING: 3506600 CPU: 11080.3, 0.00315941/step Wall: 11080.3, 0.00315941/step, 1.31063 hours remaining, 235.652344 MB of memory in use. ENERGY: 3506600 4052.5016 20598.4220 14457.6831 256.7263 -203594.7487 2805.3050 0.0000 0.0000 52167.4322 -109256.6784 299.8070 -161424.1106 -108900.3411 299.5428 42.6795 77.6217 760290.9235 -13.9518 -14.1868 PRESSURE: 3506800 54.9664 99.7018 58.5748 99.7013 124.623 -131.357 58.5738 -131.358 222.976 GPRESSURE: 3506800 31.8438 31.0305 133.609 208.512 179.995 -40.8173 115.144 -27.3361 270.842 PRESSAVG: 3506800 12.9718 11.2494 43.0644 11.2495 59.5041 -7.0923 43.0644 -7.09225 14.7515 GPRESSAVG: 3506800 13.6294 10.8153 43.2098 10.7969 59.5188 -5.68455 44.467 -8.04911 14.2232 TIMING: 3506800 CPU: 11080.9, 0.00318439/step Wall: 11080.9, 0.00318439/step, 1.32081 hours remaining, 235.652344 MB of memory in use. ENERGY: 3506800 4048.2044 20618.9059 14401.1011 242.4210 -203834.4896 3049.3442 0.0000 0.0000 52216.1886 -109258.3244 300.0872 -161474.5130 -108895.4217 299.6418 134.1882 160.8936 761170.6792 29.0758 29.1238 PRESSURE: 3507000 32.9444 77.0639 -52.3732 77.0636 296.907 85.6789 -52.3742 85.6782 -228.238 GPRESSURE: 3507000 64.5779 53.7278 -127.591 1.47459 302.112 129.578 -105.796 44.1911 -199.69 PRESSAVG: 3507000 27.128 12.0836 26.888 12.0836 -5.01654 4.51324 26.8879 4.51325 -14.0406 GPRESSAVG: 3507000 26.9157 10.7822 27.6495 12.4256 -5.89233 3.98083 25.8754 6.72359 -12.8073 TIMING: 3507000 CPU: 11081.6, 0.0031991/step Wall: 11081.6, 0.0031991/step, 1.32674 hours remaining, 235.652344 MB of memory in use. ENERGY: 3507000 3999.1372 20662.8057 14417.0269 249.0668 -203549.4720 2712.5122 0.0000 0.0000 52278.5824 -109230.3408 300.4457 -161508.9232 -108864.0650 299.9774 33.8712 55.6665 760576.9504 2.6903 2.7387 PRESSURE: 3507200 210.161 33.8317 141.696 33.8316 24.6631 106.469 141.696 106.468 389.188 GPRESSURE: 3507200 237.733 -55.8172 193.188 -33.2956 180.273 133.566 59.4719 72.1304 293.814 PRESSAVG: 3507200 -22.5839 9.42767 20.8577 9.42769 -13.8502 -0.827819 20.8577 -0.827835 23.5696 GPRESSAVG: 3507200 -22.9449 10.4379 22.1733 8.6648 -12.2757 -0.349317 19.3859 -3.52597 22.4256 TIMING: 3507200 CPU: 11082.2, 0.00318677/step Wall: 11082.2, 0.00318677/step, 1.32145 hours remaining, 235.652344 MB of memory in use. ENERGY: 3507200 4069.1451 20817.0252 14346.1465 248.7658 -203170.6542 2588.4863 0.0000 0.0000 52029.8399 -109071.2454 299.0162 -161101.0853 -108717.9215 300.4120 208.0040 237.2736 762472.0314 -4.2882 -4.2650 PRESSURE: 3507400 -380.873 -103.978 112.06 -103.978 -17.5617 -133.594 112.06 -133.593 17.4462 GPRESSURE: 3507400 -196.637 -47.2786 74.2598 -104.393 -39.1127 -94.1523 67.7855 -229.002 -56.8773 PRESSAVG: 3507400 27.8235 0.473397 7.83233 0.473356 -37.0692 -49.4882 7.83238 -49.4882 21.8655 GPRESSAVG: 3507400 27.3496 -0.701099 5.23054 -0.489949 -36.9335 -50.0398 10.1226 -47.4463 22.2157 TIMING: 3507400 CPU: 11082.8, 0.00319195/step Wall: 11082.8, 0.00319195/step, 1.32342 hours remaining, 235.652344 MB of memory in use. ENERGY: 3507400 3926.6811 20477.9402 14392.2441 246.5314 -203179.0758 2517.3714 0.0000 0.0000 52040.9277 -109577.3799 299.0799 -161618.3076 -109212.6048 299.5748 -126.9960 -97.5424 761326.5036 4.2066 4.2106 PRESSURE: 3507600 -172.272 58.0147 -126.357 58.015 -675.923 29.8626 -126.356 29.8629 -273.819 GPRESSURE: 3507600 -161.131 -5.92832 -158.594 -48.0706 -517.027 34.6518 -145.542 120.156 -340.585 PRESSAVG: 3507600 -6.7705 17.6327 -18.6675 17.6327 14.8384 -23.8311 -18.6675 -23.831 -8.31771 GPRESSAVG: 3507600 -5.60615 17.666 -18.1968 20.2113 14.7117 -23.9364 -21.3624 -23.9737 -9.32399 TIMING: 3507600 CPU: 11083.5, 0.00319174/step Wall: 11083.5, 0.00319174/step, 1.32315 hours remaining, 235.652344 MB of memory in use. ENERGY: 3507600 3967.7453 20564.8388 14388.3947 258.4195 -202800.1378 2260.7292 0.0000 0.0000 51751.9862 -109608.0241 297.4194 -161360.0103 -109255.5136 298.7890 -374.0048 -339.5810 763354.9596 -0.0833 -0.0728 PRESSURE: 3507800 -36.7691 246.418 -230.893 246.417 -152.99 84.0808 -230.893 84.0808 155.934 GPRESSURE: 3507800 -24.2667 231.44 -293.083 186.042 -114.113 106.9 -175.635 96.0212 183.729 PRESSAVG: 3507800 -54.2225 0.297908 -24.8499 0.29791 55.3242 36.4987 -24.85 36.4987 9.77833 GPRESSAVG: 3507800 -54.5348 1.26714 -23.689 -0.749917 55.9962 37.5399 -26.8264 36.1794 9.77358 TIMING: 3507800 CPU: 11084.1, 0.00318442/step Wall: 11084.1, 0.00318442/step, 1.31994 hours remaining, 235.652344 MB of memory in use. ENERGY: 3507800 3850.6983 20469.6579 14357.1278 239.4766 -203277.2039 2715.0752 0.0000 0.0000 51906.8083 -109738.3599 298.3091 -161645.1681 -109366.3388 298.8719 -11.2753 15.1164 761307.9885 3.6267 3.7450 PRESSURE: 3508000 -22.6928 -65.5661 -280.364 -65.5674 22.3949 166.494 -280.365 166.495 -398.053 GPRESSURE: 3508000 -5.03097 -66.8052 -250.535 145.335 111.2 226.325 -301.273 159.261 -432.432 PRESSAVG: 3508000 -44.5803 31.0106 -38.1395 31.0106 40.074 5.35126 -38.1394 5.35132 1.36135 GPRESSAVG: 3508000 -44.8479 29.8882 -39.5841 31.7088 38.9661 3.11082 -34.2354 6.18412 3.18664 TIMING: 3508000 CPU: 11084.8, 0.00319997/step Wall: 11084.8, 0.00319997/step, 1.32621 hours remaining, 235.652344 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: 3508000 3993.2479 20634.1621 14401.7136 252.2449 -203080.0678 2294.9056 0.0000 0.0000 51791.2118 -109712.5820 297.6448 -161503.7938 -109353.6886 298.6668 -132.7837 -108.7544 761089.3689 -1.0483 -0.8984 PRESSURE: 3508200 -292.458 -57.2948 56.6559 -57.2955 -528.78 91.5617 56.6549 91.5617 -230.91 GPRESSURE: 3508200 -231.054 -80.7304 94.966 70.9741 -462.654 46.9059 -73.5696 -72.6621 -264.925 PRESSAVG: 3508200 41.4668 14.1538 -0.626585 14.1539 -9.80373 1.34983 -0.626583 1.34984 0.665116 GPRESSAVG: 3508200 42.8141 15.2587 -0.969509 13.5828 -10.8135 2.65806 0.461042 -1.47876 0.054756 TIMING: 3508200 CPU: 11085.4, 0.00319746/step Wall: 11085.4, 0.00319746/step, 1.32499 hours remaining, 235.652344 MB of memory in use. ENERGY: 3508200 4041.2620 20449.3613 14418.7524 244.9434 -203223.8896 2608.8314 0.0000 0.0000 51806.0406 -109654.6984 297.7300 -161460.7390 -109290.6577 298.4454 -350.7159 -319.5443 759891.7514 10.7761 10.6851 LDB: ============= START OF LOAD BALANCING ============== 11097.9 LDB: ============== END OF LOAD BALANCING =============== 11097.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11097.9 LDB: ============= START OF LOAD BALANCING ============== 11098.3 LDB: Largest compute 7027 load 0.033702 is 17.2% of average load 0.195579 LDB: Average compute 0.004389 is 2.2% of average load 0.195579 LDB: TIME 11098.3 LOAD: AVG 0.195579 MAX 0.214749 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 11098.3 LOAD: AVG 0.195579 MAX 0.214749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 11098.3 LOAD: AVG 0.195579 MAX 0.214749 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 11098.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11098.3 PRESSURE: 3508400 -41.1678 -19.0931 61.5908 -19.0927 -13.1284 -187.123 61.5916 -187.123 -241.91 GPRESSURE: 3508400 1.18601 -81.9848 -32.6319 -58.6739 103.894 -220.614 70.3786 -161.221 -298.888 PRESSAVG: 3508400 -22.3851 -5.34809 -18.2101 -5.34809 31.0305 -6.62429 -18.21 -6.62428 9.58106 GPRESSAVG: 3508400 -23.7933 -4.85907 -17.2305 -5.74058 32.617 -6.43507 -20.2122 -6.49696 9.47014 TIMING: 3508400 CPU: 11086.1, 0.00328022/step Wall: 11086.1, 0.00328022/step, 1.3591 hours remaining, 236.320312 MB of memory in use. ENERGY: 3508400 3986.0177 20469.3485 14430.6889 250.6847 -203048.9354 2265.3666 0.0000 0.0000 52007.3772 -109639.4519 298.8871 -161646.8291 -109279.3104 298.7037 -98.7354 -64.6027 761901.4750 6.0755 6.0980 PRESSURE: 3508600 -48.2849 -242.173 201.31 -242.173 22.8038 -205.563 201.311 -205.564 -129.629 GPRESSURE: 3508600 20.2369 -176.412 69.1175 -211.184 54.1438 -134.435 276.013 -236.65 -144.779 PRESSAVG: 3508600 -41.7789 22.125 -9.5563 22.1249 38.0392 -36.0025 -9.55632 -36.0025 11.7598 GPRESSAVG: 3508600 -43.0673 22.2742 -8.61431 22.1816 38.9433 -35.9252 -8.81148 -33.4734 12.416 TIMING: 3508600 CPU: 11086.7, 0.00321373/step Wall: 11086.7, 0.00321373/step, 1.33138 hours remaining, 236.523438 MB of memory in use. ENERGY: 3508600 4031.0722 20489.2961 14383.3836 243.5736 -203224.2593 2414.4678 0.0000 0.0000 52370.5971 -109291.8689 300.9745 -161662.4660 -108925.7777 299.0112 -51.7035 -23.4660 759804.6062 2.6734 2.7640 PRESSURE: 3508800 -131.589 140.886 -152.025 140.886 -231.748 100.265 -152.025 100.266 -87.7564 GPRESSURE: 3508800 -115.599 190.931 -130.688 6.5671 -180.049 155.183 -165.271 108.221 -86.9765 PRESSAVG: 3508800 -32.8533 11.7423 -25.1458 11.7423 19.1142 14.6611 -25.1458 14.6611 11.5572 GPRESSAVG: 3508800 -30.9867 11.001 -25.8639 13.0552 17.0297 14.3752 -26.5078 14.2963 11.6281 TIMING: 3508800 CPU: 11087.3, 0.00321911/step Wall: 11087.3, 0.00321911/step, 1.33343 hours remaining, 236.523438 MB of memory in use. ENERGY: 3508800 3987.2807 20516.1180 14332.6240 229.5194 -202920.0708 2223.2424 0.0000 0.0000 52199.7182 -109431.5680 299.9925 -161631.2862 -109062.6327 300.0073 -150.3644 -127.5415 762003.1793 -0.7273 -0.7763 PRESSURE: 3509000 -165.932 -89.5372 128.325 -89.5373 -105.957 -162.91 128.325 -162.909 -211.557 GPRESSURE: 3509000 -265.389 -51.9218 168.532 -98.6334 42.7334 -217.188 39.1834 -203.441 -171.606 PRESSAVG: 3509000 16.9934 29.9086 8.13174 29.9086 15.1497 5.72707 8.13169 5.72709 0.231444 GPRESSAVG: 3509000 16.9735 29.8801 9.71316 29.9381 16.5628 5.35186 8.10416 4.76327 -0.435369 TIMING: 3509000 CPU: 11088, 0.0031809/step Wall: 11088, 0.0031809/step, 1.31742 hours remaining, 236.523438 MB of memory in use. ENERGY: 3509000 3943.9993 20567.5066 14391.0069 246.2673 -202902.8109 2278.0211 0.0000 0.0000 52153.6455 -109322.3641 299.7277 -161476.0096 -108945.4409 299.2410 -161.1487 -131.4205 762954.9596 10.7915 11.0337 PRESSURE: 3509200 357.952 68.2268 23.6843 68.2273 -159.283 139.801 23.6835 139.802 -141.059 GPRESSURE: 3509200 289.441 -10.4423 28.6749 2.94802 -8.9562 104.931 0.00667222 110.537 -142.936 PRESSAVG: 3509200 -39.2042 12.4219 47.8112 12.4218 10.5044 15.7228 47.8112 15.7228 18.1678 GPRESSAVG: 3509200 -38.2416 10.9006 45.5351 13.8634 9.97144 16.2631 47.3515 17.4168 18.1854 TIMING: 3509200 CPU: 11088.6, 0.00318386/step Wall: 11088.6, 0.00318386/step, 1.31847 hours remaining, 236.523438 MB of memory in use. ENERGY: 3509200 3948.0968 20508.3566 14425.0559 250.1341 -202978.9966 2505.1124 0.0000 0.0000 52234.1378 -109108.1030 300.1903 -161342.2408 -108750.4627 299.7290 19.2033 45.8496 761546.8258 -3.5107 -3.3616 PRESSURE: 3509400 312.875 -110.501 97.7074 -110.499 87.2808 -194.9 97.7076 -194.901 192.249 GPRESSURE: 3509400 331.747 -46.1956 134.421 -133.034 117.043 -172.156 92.3296 -93.9136 214.01 PRESSAVG: 3509400 0.242559 -61.3087 5.65219 -61.3086 41.9717 4.25036 5.65222 4.25029 -5.49434 GPRESSAVG: 3509400 -1.84516 -62.7148 8.00181 -60.4354 43.3346 1.89816 5.67137 4.66209 -4.53731 TIMING: 3509400 CPU: 11089.2, 0.00317554/step Wall: 11089.2, 0.00317554/step, 1.31485 hours remaining, 236.523438 MB of memory in use. ENERGY: 3509400 3973.5898 20485.8667 14409.3381 233.0477 -203347.6591 2733.9423 0.0000 0.0000 52458.7507 -109053.1238 301.4812 -161511.8745 -108686.9372 299.8898 197.4683 220.9333 760533.0369 12.2400 12.3174 PRESSURE: 3509600 -87.982 84.3443 -100.638 84.3448 -259.099 226.003 -100.638 226.004 -40.177 GPRESSURE: 3509600 56.8868 101.09 -240.233 94.614 -258.742 234.373 -2.85653 148.115 -96.2617 PRESSAVG: 3509600 12.686 19.9429 12.3174 19.9428 -8.47146 45.3135 12.3174 45.3134 16.8708 GPRESSAVG: 3509600 14.2895 23.5508 11.1511 18.1355 -8.29161 47.28 12.8434 44.7194 15.3398 TIMING: 3509600 CPU: 11089.9, 0.00318199/step Wall: 11089.9, 0.00318199/step, 1.31735 hours remaining, 236.523438 MB of memory in use. ENERGY: 3509600 4067.2401 20679.8463 14442.7957 259.0501 -203028.1755 2423.0119 0.0000 0.0000 52177.0650 -108979.1665 299.8623 -161156.2314 -108624.4038 300.4293 -129.0860 -99.3724 760653.9303 7.0285 7.1126 PRESSURE: 3509800 -33.4213 135.615 -60.048 135.615 158.762 48.7698 -60.0471 48.7707 62.9191 GPRESSURE: 3509800 20.2943 124.023 12.4369 169.326 226.169 102.69 -64.2805 5.56597 40.9503 PRESSAVG: 3509800 -4.3377 -12.7523 18.6241 -12.7524 -62.8249 -19.2884 18.6241 -19.2884 -18.3451 GPRESSAVG: 3509800 -3.71477 -13.7019 17.8372 -12.8663 -63.4688 -19.7564 17.5299 -19.4371 -17.979 TIMING: 3509800 CPU: 11090.5, 0.00317678/step Wall: 11090.5, 0.00317678/step, 1.31501 hours remaining, 236.523438 MB of memory in use. ENERGY: 3509800 3951.8710 20503.3212 14451.3778 240.5687 -203211.5267 2784.3527 0.0000 0.0000 52399.6386 -108880.3967 301.1414 -161280.0353 -108514.9218 300.6900 62.7534 95.8045 762353.9477 -28.5026 -28.3875 PRESSURE: 3510000 -102.952 28.3271 -36.4361 28.3281 -375.025 -233.657 -36.4364 -233.658 -226.881 GPRESSURE: 3510000 -97.0063 173.033 35.8723 41.1891 -312.81 -214.743 -140.937 -202.452 -223.015 PRESSAVG: 3510000 -42.8668 18.1127 -33.6864 18.1127 22.7615 -12.4588 -33.6864 -12.4589 5.01963 GPRESSAVG: 3510000 -43.906 18.5742 -33.2164 18.0939 23.0946 -12.5107 -32.7988 -11.8138 6.33765 TIMING: 3510000 CPU: 11091.2, 0.00318677/step Wall: 11091.2, 0.00318677/step, 1.31897 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: 3510000 4010.5219 20665.6557 14386.2856 251.1747 -202497.7903 2139.4498 0.0000 0.0000 52080.9448 -108963.7578 299.3099 -161044.7026 -108600.7787 300.0198 -234.9526 -210.9436 761810.6898 -5.0286 -4.8246 PRESSURE: 3510200 70.9265 5.94681 -106.248 5.94609 -98.0207 -87.8605 -106.248 -87.8621 -227.728 GPRESSURE: 3510200 207.405 36.5723 -98.0695 0.998907 -213.193 -124.28 -27.2708 -163.342 -176.761 PRESSAVG: 3510200 -12.7565 45.3764 3.46549 45.3764 3.43384 4.62801 3.46545 4.62811 1.4696 GPRESSAVG: 3510200 -11.9056 44.3268 4.88541 47.5809 2.44808 3.23588 2.93399 3.90025 1.32941 TIMING: 3510200 CPU: 11091.8, 0.00318637/step Wall: 11091.8, 0.00318637/step, 1.31863 hours remaining, 236.523438 MB of memory in use. ENERGY: 3510200 4010.8697 20530.0403 14374.7882 252.8331 -202901.3258 2335.9574 0.0000 0.0000 52372.6442 -109024.1927 300.9863 -161396.8369 -108662.0630 300.2506 -84.9408 -60.8497 761035.8590 -2.6177 -2.7094 PRESSURE: 3510400 -217.462 86.7356 -66.4041 86.736 100.996 149.545 -66.4043 149.546 518.002 GPRESSURE: 3510400 -238.634 23.1458 -10.2272 110.966 196.943 104.913 -101.313 238.194 501.371 PRESSAVG: 3510400 -27.4465 22.3444 -3.86293 22.3444 39.8922 -23.7499 -3.86295 -23.75 -0.214325 GPRESSAVG: 3510400 -27.5299 23.1524 -4.05783 21.607 39.6463 -21.9583 -3.77789 -25.0302 0.0540965 TIMING: 3510400 CPU: 11092.4, 0.00320156/step Wall: 11092.4, 0.00320156/step, 1.32473 hours remaining, 236.523438 MB of memory in use. ENERGY: 3510400 4005.9714 20450.9492 14342.0513 238.2865 -203247.4142 2757.7698 0.0000 0.0000 52322.2082 -109130.1778 300.6964 -161452.3859 -108770.3182 300.3829 133.8454 153.2267 761248.1301 4.0771 4.0568 PRESSURE: 3510600 -39.9306 40.0375 -36.1834 40.0373 84.0547 62.8425 -36.1835 62.8428 768.29 GPRESSURE: 3510600 81.4839 24.3839 -77.6592 -12.0081 142.477 17.465 67.1142 -25.3014 683.404 PRESSAVG: 3510600 -9.70322 -6.66415 14.2652 -6.66419 27.7774 56.487 14.2652 56.487 30.1084 GPRESSAVG: 3510600 -9.6161 -7.57372 13.081 -6.55472 28.5324 57.905 15.5792 56.6407 29.3152 TIMING: 3510600 CPU: 11093.1, 0.00320156/step Wall: 11093.1, 0.00320156/step, 1.32455 hours remaining, 236.523438 MB of memory in use. ENERGY: 3510600 3933.6175 20267.7629 14278.7484 234.4410 -202738.0325 2549.0258 0.0000 0.0000 52166.2535 -109308.1834 299.8002 -161474.4369 -108931.2453 300.0274 270.8045 302.4551 759994.9707 16.0609 16.0772 PRESSURE: 3510800 -240.164 -50.6099 10.1426 -50.6104 -3.38878 -115.582 10.1424 -115.582 -29.3413 GPRESSURE: 3510800 -302.728 -68.1933 12.8511 69.6842 104.293 -89.5903 36.3128 -98.9481 9.80285 PRESSAVG: 3510800 -65.6943 -46.3076 -19.4526 -46.3076 42.1905 59.4291 -19.4526 59.4291 -3.239 GPRESSAVG: 3510800 -66.1505 -45.2745 -19.2286 -45.9868 41.3333 58.2499 -21.5999 59.371 -1.57864 TIMING: 3510800 CPU: 11093.7, 0.0031885/step Wall: 11093.7, 0.0031885/step, 1.31897 hours remaining, 236.523438 MB of memory in use. ENERGY: 3510800 3994.0919 20480.1486 14369.5911 233.1400 -202857.6654 2330.5003 0.0000 0.0000 52102.0450 -109348.1485 299.4312 -161450.1935 -108985.5276 299.1559 -90.9648 -62.8773 759813.8013 -8.9143 -8.7986 PRESSURE: 3511000 -6.70099 -244.679 -165.949 -244.679 -339.006 19.1001 -165.948 19.0996 223.863 GPRESSURE: 3511000 -5.05893 -219.048 -178.554 -338.846 -206.487 -45.2547 -190.845 22.5635 168.697 PRESSAVG: 3511000 -20.6614 -29.4659 -21.7626 -29.4659 -7.97526 72.5533 -21.7626 72.5533 4.94089 GPRESSAVG: 3511000 -21.9492 -29.9441 -22.153 -29.9091 -6.62005 71.7321 -21.0793 74.0844 4.59518 TIMING: 3511000 CPU: 11094.3, 0.00316992/step Wall: 11094.3, 0.00316993/step, 1.31112 hours remaining, 236.523438 MB of memory in use. ENERGY: 3511000 4022.0368 20481.6347 14393.6979 221.8299 -203013.7530 2384.7503 0.0000 0.0000 52083.2811 -109426.5224 299.3233 -161509.8035 -109073.6288 298.9559 -40.6147 -14.2832 759634.4924 -7.8986 -7.9913 PRESSURE: 3511200 -403.291 -347.956 42.7049 -347.956 61.2635 -225.811 42.7051 -225.811 -3.39916 GPRESSURE: 3511200 -340.743 -318.227 -74.0173 -149.624 101.64 -210.549 63.4488 -134.686 -26.2615 PRESSAVG: 3511200 -65.7388 -46.619 5.54949 -46.6189 71.3211 -16.3809 5.54955 -16.3809 28.1492 GPRESSAVG: 3511200 -64.762 -47.2074 5.57101 -46.6591 70.9087 -15.99 6.51118 -15.8737 28.2801 TIMING: 3511200 CPU: 11095, 0.00317679/step Wall: 11095, 0.00317679/step, 1.31378 hours remaining, 236.523438 MB of memory in use. ENERGY: 3511200 4068.8201 20533.3478 14386.3194 243.1407 -203113.2734 2501.0069 0.0000 0.0000 51963.6902 -109416.9483 298.6360 -161380.6386 -109054.8991 299.1667 -115.1422 -88.4549 759984.5211 11.2438 11.4756 PRESSURE: 3511400 -15.5752 -31.0911 17.5204 -31.0923 -4.48069 240.024 17.5213 240.024 -118.62 GPRESSURE: 3511400 -55.5479 15.8533 85.285 12.6604 26.5698 181.694 -8.52331 225.93 -36.6688 PRESSAVG: 3511400 2.05745 -1.36058 29.3163 -1.36054 -7.36721 -38.8202 29.3162 -38.8202 -16.709 GPRESSAVG: 3511400 2.49871 -1.20922 29.9266 -0.586409 -7.96358 -39.9742 28.4584 -41.3302 -16.6023 TIMING: 3511400 CPU: 11095.6, 0.00318777/step Wall: 11095.6, 0.00318777/step, 1.31814 hours remaining, 236.523438 MB of memory in use. ENERGY: 3511400 4011.5663 20573.5404 14420.8982 222.7773 -203183.7274 2469.6689 0.0000 0.0000 52067.5941 -109417.6821 299.2332 -161485.2762 -109058.8154 299.2280 -46.2252 -21.8823 760385.6015 -7.3396 -7.3557 PRESSURE: 3511600 45.8745 403.983 -101.451 403.982 15.9053 -40.6918 -101.452 -40.6921 -160.463 GPRESSURE: 3511600 105.981 292.27 -102.758 309.012 -10.6871 -115.301 -70.6097 -45.0816 -129.013 PRESSAVG: 3511600 63.5955 -11.3313 -2.35353 -11.3313 -76.86 -18.0684 -2.35359 -18.0683 -10.8673 GPRESSAVG: 3511600 64.4404 -11.6918 -2.40288 -11.1722 -75.942 -19.6126 -0.868281 -14.5462 -12.9595 TIMING: 3511600 CPU: 11096.3, 0.00317742/step Wall: 11096.3, 0.00317742/step, 1.31369 hours remaining, 236.523438 MB of memory in use. ENERGY: 3511600 3990.5143 20591.3252 14326.5132 237.7765 -203152.0972 2487.3130 0.0000 0.0000 52068.4744 -109450.1806 299.2382 -161518.6550 -109093.7787 299.2605 -32.8944 -11.2397 761829.7701 -8.0439 -8.1537 PRESSURE: 3511800 240.47 -220.184 -25.2672 -220.184 247.304 -108.317 -25.2664 -108.317 377.334 GPRESSURE: 3511800 284.076 -282.99 -27.8858 -143.719 270.937 -140.457 -40.3217 -17.415 383.57 PRESSAVG: 3511800 0.8152 29.3381 67.8224 29.3381 10.3316 -91.6964 67.8223 -91.6964 25.2081 GPRESSAVG: 3511800 0.639761 31.31 66.8221 27.5458 9.80059 -90.1905 68.1112 -93.1633 25.6319 TIMING: 3511800 CPU: 11096.9, 0.00317749/step Wall: 11096.9, 0.00317749/step, 1.31354 hours remaining, 236.523438 MB of memory in use. ENERGY: 3511800 3957.9910 20627.2551 14359.8254 230.4063 -203420.8519 2662.5822 0.0000 0.0000 51964.1070 -109618.6848 298.6384 -161582.7918 -109260.8242 298.8164 288.3695 312.8612 760282.0534 12.1183 12.0241 PRESSURE: 3512000 46.0195 141.177 -40.1845 141.177 166.119 -16.2527 -40.1846 -16.2528 1.10198 GPRESSURE: 3512000 42.7179 183.403 -80.8954 191.864 180.505 19.6118 -83.8947 -61.9859 58.3182 PRESSAVG: 3512000 -17.0509 4.99217 -18.811 4.99213 1.70578 -7.97337 -18.811 -7.97341 -4.02911 GPRESSAVG: 3512000 -18.8494 3.04117 -19.1912 5.00092 3.071 -7.41955 -20.2202 -9.03748 -3.84074 TIMING: 3512000 CPU: 11097.5, 0.00318193/step Wall: 11097.5, 0.00318193/step, 1.3152 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: 3512000 3994.5485 20545.0143 14375.9066 244.2698 -203571.7582 2665.7170 0.0000 0.0000 52140.5377 -109605.7643 299.6524 -161746.3020 -109248.3476 299.1999 71.0803 93.8469 761399.5243 -6.4581 -6.5397 PRESSURE: 3512200 -622.126 129.874 -134.308 129.873 -52.9274 -127.33 -134.307 -127.329 -324.967 GPRESSURE: 3512200 -498.538 194.186 -180.566 138.127 -59.422 -114.38 -91.5793 -68.1991 -367.824 PRESSAVG: 3512200 -52.2442 3.31424 -6.63457 3.31425 57.1462 -3.50676 -6.63458 -3.50668 3.97234 GPRESSAVG: 3512200 -52.231 3.74402 -6.84631 2.52241 57.3384 -3.36026 -6.74984 -3.59041 2.87253 TIMING: 3512200 CPU: 11098.2, 0.00319806/step Wall: 11098.2, 0.00319806/step, 1.32169 hours remaining, 236.523438 MB of memory in use. ENERGY: 3512200 3962.6445 20532.8061 14386.1992 236.9496 -203313.7429 2670.8648 0.0000 0.0000 51982.4953 -109541.7833 298.7441 -161524.2787 -109181.4379 299.2986 -333.3400 -308.5950 761684.9980 2.9581 2.6600 LDB: ============= START OF LOAD BALANCING ============== 11110.7 LDB: ============== END OF LOAD BALANCING =============== 11110.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11110.7 LDB: ============= START OF LOAD BALANCING ============== 11111 LDB: Largest compute 7034 load 0.033690 is 17.2% of average load 0.195523 LDB: Average compute 0.004390 is 2.2% of average load 0.195523 LDB: TIME 11111 LOAD: AVG 0.195523 MAX 0.214307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.906 MB LDB: TIME 11111 LOAD: AVG 0.195523 MAX 0.214307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.91 MB LDB: TIME 11111 LOAD: AVG 0.195523 MAX 0.214307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.91 MB LDB: ============== END OF LOAD BALANCING =============== 11111 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11111 PRESSURE: 3512400 -51.542 -135.831 203.251 -135.831 -399.908 278.919 203.252 278.921 257.745 GPRESSURE: 3512400 -54.0128 -142.209 166.28 -145.817 -339.718 255.029 198.803 123.513 288.262 PRESSAVG: 3512400 -56.1009 -17.8739 12.8697 -17.8739 10.6314 -15.4155 12.8697 -15.4154 -18.5645 GPRESSAVG: 3512400 -55.6421 -19.36 13.4018 -15.3002 9.09674 -15.6186 12.2192 -15.1054 -17.7927 TIMING: 3512400 CPU: 11098.8, 0.00326286/step Wall: 11098.8, 0.00326286/step, 1.34829 hours remaining, 235.585938 MB of memory in use. ENERGY: 3512400 3949.2260 20357.3148 14340.3839 248.2765 -203162.2273 2522.0486 0.0000 0.0000 52005.2884 -109739.6890 298.8751 -161744.9774 -109364.5586 298.6715 -64.5683 -35.1564 761735.0212 -21.3447 -21.4460 PRESSURE: 3512600 -280.774 109.493 -137.869 109.493 -14.7506 72.8828 -137.869 72.8832 -104.58 GPRESSURE: 3512600 -167.765 153.223 -90.366 160.307 21.7533 178.937 -125.069 155.095 -170.299 PRESSAVG: 3512600 9.98715 -13.4864 32.6185 -13.4864 -8.55572 38.306 32.6185 38.3061 18.7633 GPRESSAVG: 3512600 9.3806 -12.7886 32.5412 -13.5374 -7.75053 38.4295 32.5819 38.3222 18.397 TIMING: 3512600 CPU: 11099.5, 0.00319104/step Wall: 11099.5, 0.00319104/step, 1.31843 hours remaining, 235.992188 MB of memory in use. ENERGY: 3512600 3935.4295 20544.9160 14349.3231 259.2275 -203051.3492 2387.3826 0.0000 0.0000 52085.6654 -109489.4051 299.3370 -161575.0705 -109127.8879 298.9605 -133.3682 -105.4369 761017.3141 6.7316 6.6757 PRESSURE: 3512800 -32.2243 -104.79 -150.257 -104.79 300.666 104.3 -150.258 104.3 238.919 GPRESSURE: 3512800 -1.45129 -20.9301 -108.794 -97.3307 357.666 -22.2697 -119.608 59.606 240.48 PRESSAVG: 3512800 -56.2496 12.7786 -15.5619 12.7786 51.0053 13.0101 -15.5619 13.0101 2.99763 GPRESSAVG: 3512800 -54.9799 13.3756 -14.6849 12.4291 50.4662 13.5601 -14.4868 13.8312 2.43581 TIMING: 3512800 CPU: 11100.1, 0.00319344/step Wall: 11100.1, 0.00319344/step, 1.31925 hours remaining, 235.992188 MB of memory in use. ENERGY: 3512800 3978.0806 20390.3756 14376.7519 257.7544 -203886.9924 3125.4956 0.0000 0.0000 52059.5449 -109698.9893 299.1869 -161758.5342 -109329.3573 299.0762 169.1200 198.8983 760745.1884 -0.7489 -0.6926 PRESSURE: 3513000 26.2577 17.0202 44.632 17.0197 249.334 39.2823 44.6318 39.2816 214.966 GPRESSURE: 3513000 80.4032 25.0543 47.6928 136.277 215.599 53.0267 37.7136 33.0933 279.016 PRESSAVG: 3513000 -9.58416 19.5131 23.5428 19.5131 3.67636 26.778 23.5428 26.778 0.179659 GPRESSAVG: 3513000 -10.1197 17.2979 21.0547 19.2685 3.92536 26.5406 23.8847 25.7138 -0.079777 TIMING: 3513000 CPU: 11100.7, 0.00319861/step Wall: 11100.7, 0.00319861/step, 1.3212 hours remaining, 235.992188 MB of memory in use. ENERGY: 3513000 3961.5356 20566.8426 14441.9507 250.2648 -203799.5114 2702.5748 0.0000 0.0000 52250.1867 -109626.1560 300.2825 -161876.3427 -109258.1264 298.9717 163.5190 191.6726 759526.6761 -1.9094 -2.0914 PRESSURE: 3513200 -34.0117 -85.5901 126.319 -85.5902 42.4242 67.8891 126.318 67.8887 -29.5945 GPRESSURE: 3513200 -8.98763 -62.2126 3.55562 -39.5393 69.521 106.814 96.827 31.7929 8.52362 PRESSAVG: 3513200 -37.6333 24.5698 -0.156066 24.5698 32.5066 -24.8143 -0.156025 -24.8142 25.3838 GPRESSAVG: 3513200 -37.4235 25.3421 1.69148 24.9701 31.6046 -24.9614 -2.68776 -25.1411 26.1001 TIMING: 3513200 CPU: 11101.4, 0.00320508/step Wall: 11101.4, 0.00320508/step, 1.3237 hours remaining, 235.992188 MB of memory in use. ENERGY: 3513200 3933.5581 20687.1234 14420.8528 236.4954 -203464.4224 2638.5126 0.0000 0.0000 51947.2238 -109600.6563 298.5414 -161547.8801 -109244.2030 299.0074 -7.0607 23.0190 761420.0182 6.7524 6.7604 PRESSURE: 3513400 -28.819 95.8919 -270.798 95.8917 216.294 55.5075 -270.798 55.5065 119.541 GPRESSURE: 3513400 -25.162 35.999 -159.085 38.2675 258.112 97.1474 -244.304 23.0035 155.513 PRESSAVG: 3513400 -39.6727 42.4054 48.9727 42.4055 64.9453 15.8201 48.9726 15.82 -2.68424 GPRESSAVG: 3513400 -40.0998 42.1591 49.5499 43.399 64.4551 14.3427 50.3929 17.4394 -1.60294 TIMING: 3513400 CPU: 11102, 0.00317824/step Wall: 11102, 0.00317824/step, 1.31244 hours remaining, 235.992188 MB of memory in use. ENERGY: 3513400 4007.6514 20393.4678 14481.0645 267.9219 -203646.7863 2644.1888 0.0000 0.0000 51967.8267 -109884.6652 298.6598 -161852.4919 -109522.3642 299.0711 102.3384 129.4875 759565.3990 7.5294 7.5841 PRESSURE: 3513600 -47.6901 -65.1343 219.094 -65.135 -104.804 128.912 219.095 128.912 -287.669 GPRESSURE: 3513600 14.6435 -77.9063 101.465 -36.0354 -104.592 113.749 304.158 23.7154 -261.805 PRESSAVG: 3513600 -49.7588 -21.5007 22.4471 -21.5007 86.2945 -66.629 22.4471 -66.6289 -15.2444 GPRESSAVG: 3513600 -49.9146 -22.8617 22.2379 -23.2417 87.612 -64.2275 23.7218 -67.1304 -16.4812 TIMING: 3513600 CPU: 11102.7, 0.00321071/step Wall: 11102.7, 0.00321071/step, 1.32566 hours remaining, 235.992188 MB of memory in use. ENERGY: 3513600 3948.8483 20657.7522 14347.5209 260.8280 -203297.0730 2541.4178 0.0000 0.0000 51793.6693 -109747.0365 297.6589 -161540.7058 -109390.2239 298.7859 -146.7210 -117.2509 760676.5500 7.0971 7.0721 PRESSURE: 3513800 53.0298 93.8014 -94.5779 93.8017 -38.1556 118.578 -94.5777 118.578 -135.135 GPRESSURE: 3513800 57.7574 72.812 -54.1619 111.575 -8.86811 104.494 11.4738 99.3944 -82.0569 PRESSAVG: 3513800 -30.8455 -0.480683 22.9885 -0.48075 9.71576 -7.11668 22.9885 -7.11667 -4.30714 GPRESSAVG: 3513800 -30.7276 2.18527 21.978 0.975462 8.94956 -9.02256 21.444 -9.69766 -3.98718 TIMING: 3513800 CPU: 11103.3, 0.00321184/step Wall: 11103.3, 0.00321184/step, 1.32595 hours remaining, 235.992188 MB of memory in use. ENERGY: 3513800 4032.8083 20495.9798 14284.9510 246.2334 -203088.7927 2379.3443 0.0000 0.0000 52081.0714 -109568.4044 299.3106 -161649.4758 -109205.6508 298.8404 -40.0869 -11.0559 760241.1289 -8.4790 -8.5884 PRESSURE: 3514000 166.41 125.112 1.59788 125.112 238.742 61.6337 1.59743 61.6341 130.411 GPRESSURE: 3514000 255.922 19.0897 66.02 149.63 242.693 107.092 88.2429 -32.0808 137.593 PRESSAVG: 3514000 64.2732 70.8152 48.3238 70.8151 3.88485 -30.8589 48.3239 -30.8588 -0.370319 GPRESSAVG: 3514000 63.7183 71.0596 50.4287 69.4139 4.07395 -29.211 48.4355 -30.5204 -0.15836 TIMING: 3514000 CPU: 11103.9, 0.00318848/step Wall: 11103.9, 0.00318848/step, 1.31613 hours remaining, 235.992188 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: 3514000 3979.7608 20587.4638 14376.0301 251.8898 -203654.1554 2708.8788 0.0000 0.0000 51997.0445 -109753.0877 298.8277 -161750.1322 -109389.4756 299.3421 178.5208 212.0694 758329.8840 22.5959 22.5446 PRESSURE: 3514200 93.3094 -159.176 -113.798 -159.176 -353.805 108.157 -113.798 108.157 107.762 GPRESSURE: 3514200 107.103 -170.941 -243.637 -133.846 -244.686 135.905 -21.4256 250.303 65.914 PRESSAVG: 3514200 17.4275 -63.5056 7.65317 -63.5056 -26.2083 -32.986 7.65322 -32.986 2.50481 GPRESSAVG: 3514200 16.4897 -61.7433 6.3625 -62.7293 -25.0522 -34.3897 8.11917 -29.8442 2.52276 TIMING: 3514200 CPU: 11104.6, 0.00317451/step Wall: 11104.6, 0.00317451/step, 1.31019 hours remaining, 235.992188 MB of memory in use. ENERGY: 3514200 4017.8113 20554.6934 14398.8375 237.8494 -203439.6048 2388.5851 0.0000 0.0000 51939.3405 -109902.4876 298.4961 -161841.8281 -109543.8652 298.8472 -50.9110 -23.8895 760835.6521 -2.0920 -2.0132 PRESSURE: 3514400 -136.02 231.582 -121.542 231.582 165.548 -195.907 -121.542 -195.907 183.716 GPRESSURE: 3514400 -40.1364 260.683 -49.5778 159.097 197.926 -167.266 -109.532 -126.051 132.395 PRESSAVG: 3514400 43.5463 13.3655 -13.1307 13.3656 -33.3117 -23.6222 -13.1307 -23.6222 19.5672 GPRESSAVG: 3514400 44.5124 10.7147 -13.6843 13.1717 -34.1458 -21.4418 -12.1024 -26.4023 18.9297 TIMING: 3514400 CPU: 11105.2, 0.0031847/step Wall: 11105.2, 0.0031847/step, 1.31422 hours remaining, 235.992188 MB of memory in use. ENERGY: 3514400 3960.6330 20613.8000 14384.8166 227.3264 -203796.7725 2846.4182 0.0000 0.0000 51830.0743 -109933.7040 297.8681 -161763.7783 -109581.1162 298.7167 71.0814 96.7284 760092.2430 9.9339 9.7654 PRESSURE: 3514600 -75.6019 -7.13589 86.8189 -7.13624 38.8892 -224.731 86.8194 -224.731 376.546 GPRESSURE: 3514600 0.446685 27.1496 49.5549 -26.4286 32.9741 -174.139 46.9934 -212.682 398.842 PRESSAVG: 3514600 -58.9691 81.9212 52.1913 81.9212 50.2007 -6.54242 52.1912 -6.54248 9.57307 GPRESSAVG: 3514600 -60.7451 84.4754 52.633 80.1 50.908 -6.63594 51.9014 -7.75178 10.3747 TIMING: 3514600 CPU: 11105.8, 0.00317885/step Wall: 11105.8, 0.00317885/step, 1.31163 hours remaining, 235.992188 MB of memory in use. ENERGY: 3514600 3957.1873 20588.7888 14374.1769 249.3355 -203323.1304 2331.9332 0.0000 0.0000 52063.2258 -109758.4829 299.2081 -161821.7088 -109395.7309 298.4405 113.2776 144.0877 760347.5439 0.2682 0.1792 PRESSURE: 3514800 -100.464 -44.3713 -149.966 -44.3717 97.0736 70.0878 -149.966 70.0883 -218.426 GPRESSURE: 3514800 -19.1111 3.95923 -89.5022 -26.5219 72.453 107.591 -196.103 -42.876 -190.413 PRESSAVG: 3514800 -23.9287 -10.7508 9.01002 -10.7508 -5.74384 -27.1359 9.01 -27.1359 -4.18529 GPRESSAVG: 3514800 -22.544 -12.2433 8.89037 -8.53978 -6.19557 -27.2634 5.08482 -27.7393 -5.1051 TIMING: 3514800 CPU: 11106.5, 0.0031895/step Wall: 11106.5, 0.0031895/step, 1.31585 hours remaining, 235.992188 MB of memory in use. ENERGY: 3514800 4083.6422 20621.1515 14408.7753 256.9008 -203196.3849 2456.7501 0.0000 0.0000 51788.0016 -109581.1635 297.6264 -161369.1650 -109222.5849 298.5777 -73.9390 -45.6904 760392.3882 -11.2859 -11.2816 PRESSURE: 3515000 -254.484 71.0407 -246.2 71.0403 264.458 -153.405 -246.199 -153.405 94.6474 GPRESSURE: 3515000 -179.626 29.8004 -249.237 -3.6326 255.596 -180.446 -245.068 -110.153 129.03 PRESSAVG: 3515000 -52.2403 -64.9544 -29.346 -64.9543 50.7784 -21.3075 -29.346 -21.3075 8.77978 GPRESSAVG: 3515000 -51.5539 -66.188 -28.9022 -63.9529 50.2839 -22.3672 -26.6547 -20.001 8.56932 TIMING: 3515000 CPU: 11107.1, 0.00319555/step Wall: 11107.1, 0.00319555/step, 1.31817 hours remaining, 235.992188 MB of memory in use. ENERGY: 3515000 3955.6312 20642.7299 14416.6216 252.6925 -203119.8497 2339.8958 0.0000 0.0000 52061.1392 -109451.1395 299.1961 -161512.2787 -109077.3862 299.1124 34.8737 68.3332 759904.5262 2.4393 2.4331 PRESSURE: 3515200 72.1498 -110.453 -179.724 -110.454 -56.0903 55.0425 -179.724 55.0423 -478.078 GPRESSURE: 3515200 71.6983 -65.6464 -152.369 10.3596 -14.0163 61.1997 -239.008 -13.8371 -453.477 PRESSAVG: 3515200 65.265 -58.7111 -51.4677 -58.7111 -14.0351 -40.2313 -51.4677 -40.2313 -17.4731 GPRESSAVG: 3515200 65.485 -58.6052 -50.6374 -59.1898 -14.2979 -39.6465 -52.1985 -38.4027 -17.2983 TIMING: 3515200 CPU: 11107.8, 0.00317807/step Wall: 11107.8, 0.00317807/step, 1.31078 hours remaining, 235.992188 MB of memory in use. ENERGY: 3515200 3887.8770 20639.5517 14372.4516 241.5274 -202967.1287 2283.2678 0.0000 0.0000 52090.9884 -109451.4648 299.3676 -161542.4532 -109081.3013 299.3360 -154.0060 -131.9318 762081.7787 11.2523 11.2963 PRESSURE: 3515400 96.1546 215.493 -95.1179 215.492 358.297 -186.228 -95.1177 -186.228 -5.63048 GPRESSURE: 3515400 58.0974 122.832 -23.2558 147.984 390.403 -129.02 33.4933 -89.2839 82.6616 PRESSAVG: 3515400 7.78793 -26.7044 -12.1009 -26.7045 -41.9885 -8.44164 -12.1009 -8.44169 -14.8371 GPRESSAVG: 3515400 5.99813 -26.095 -14.3471 -25.5926 -40.6224 -8.90347 -9.41243 -7.9537 -14.3976 TIMING: 3515400 CPU: 11108.4, 0.00317184/step Wall: 11108.4, 0.00317184/step, 1.30803 hours remaining, 235.992188 MB of memory in use. ENERGY: 3515400 3913.6439 20474.0820 14373.7635 256.4691 -203067.6931 2587.4623 0.0000 0.0000 51868.3426 -109593.9297 298.0881 -161462.2723 -109239.7094 298.7064 149.6070 177.0539 762659.1547 -16.3459 -16.3406 PRESSURE: 3515600 -162.434 -7.96947 -103.636 -7.9693 -78.0009 -102.885 -103.636 -102.885 -368.168 GPRESSURE: 3515600 -140.133 8.5409 -63.7606 41.7906 -65.3796 -172.521 -116.47 -279.16 -317.323 PRESSAVG: 3515600 52.4675 -16.5462 -20.2081 -16.5461 -12.5866 -49.9425 -20.2081 -49.9425 -3.95942 GPRESSAVG: 3515600 52.4672 -17.8866 -18.2353 -18.1894 -13.3768 -50.0516 -20.9604 -54.4021 -3.48204 TIMING: 3515600 CPU: 11109, 0.00316604/step Wall: 11109, 0.00316604/step, 1.30546 hours remaining, 235.992188 MB of memory in use. ENERGY: 3515600 3938.9882 20502.7904 14410.0059 242.8343 -202962.8622 2393.9296 0.0000 0.0000 51814.3701 -109659.9438 297.7779 -161474.3139 -109292.4554 298.8023 -202.8677 -174.2783 761824.7233 11.9739 11.8695 PRESSURE: 3515800 -45.819 -9.22795 141.527 -9.22766 -271.58 23.5284 141.527 23.5272 -357.603 GPRESSURE: 3515800 -25.4828 -73.316 126.351 1.42918 -184.932 -56.3529 -33.8055 162.357 -374.863 PRESSAVG: 3515800 -41.9539 10.3837 -10.4232 10.3837 16.9917 25.9299 -10.4233 25.93 6.20103 GPRESSAVG: 3515800 -40.0271 10.0854 -11.4595 10.0855 16.4223 25.4608 -11.2143 28.2282 4.76728 TIMING: 3515800 CPU: 11109.7, 0.003178/step Wall: 11109.7, 0.003178/step, 1.31022 hours remaining, 235.992188 MB of memory in use. ENERGY: 3515800 4032.5074 20329.0120 14313.6523 243.1224 -203119.9363 2595.8769 0.0000 0.0000 52114.3210 -109491.4444 299.5017 -161605.7654 -109121.3657 298.4950 -225.0005 -195.0926 761266.7523 -6.2537 -6.2791 PRESSURE: 3516000 -363.546 -19.8126 20.3346 -19.8127 -120.281 -118.038 20.3347 -118.038 -295.346 GPRESSURE: 3516000 -338.586 -86.1831 -56.6386 7.49052 -103.145 -179.537 23.2226 -136.134 -245.63 PRESSAVG: 3516000 11.9732 -26.9638 -38.6448 -26.9638 -29.8753 65.7221 -38.6447 65.722 -0.595828 GPRESSAVG: 3516000 10.115 -27.5675 -37.5814 -26.0661 -29.6535 67.2291 -37.1443 66.0188 0.678984 TIMING: 3516000 CPU: 11110.3, 0.0031694/step Wall: 11110.3, 0.0031694/step, 1.3065 hours remaining, 235.992188 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: 3516000 4006.6727 20409.3268 14439.8542 259.6664 -202910.8509 2507.0830 0.0000 0.0000 51882.5351 -109405.7127 298.1696 -161288.2478 -109040.0893 298.6111 -259.7245 -229.1201 762922.5285 -6.1660 -6.2865 PRESSURE: 3516200 -114.501 318.412 -24.5555 318.412 -0.224827 -95.8113 -24.556 -95.8124 -98.3027 GPRESSURE: 3516200 -125.104 342.551 -56.503 245.698 80.6317 -0.202233 -126.205 6.30155 -87.7775 PRESSAVG: 3516200 -6.50675 -5.62193 -15.0286 -5.62197 36.1986 -38.624 -15.0286 -38.6241 -0.965822 GPRESSAVG: 3516200 -5.89775 -3.01717 -15.993 -6.81406 37.1967 -39.5216 -17.8748 -40.5186 -2.62917 TIMING: 3516200 CPU: 11110.9, 0.00317835/step Wall: 11110.9, 0.00317835/step, 1.31001 hours remaining, 235.992188 MB of memory in use. ENERGY: 3516200 3895.5758 20492.3559 14405.3348 244.7914 -202970.1995 2386.6291 0.0000 0.0000 51991.1678 -109554.3447 298.7940 -161545.5124 -109172.5909 298.4462 -71.0096 -44.0832 761280.8633 9.5753 9.5566 LDB: ============= START OF LOAD BALANCING ============== 11123.5 LDB: ============== END OF LOAD BALANCING =============== 11123.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11123.5 LDB: ============= START OF LOAD BALANCING ============== 11123.8 LDB: Largest compute 7027 load 0.033121 is 16.9% of average load 0.195665 LDB: Average compute 0.004377 is 2.2% of average load 0.195665 LDB: TIME 11123.8 LOAD: AVG 0.195665 MAX 0.218393 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 11123.8 LOAD: AVG 0.195665 MAX 0.218393 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: TIME 11123.8 LOAD: AVG 0.195665 MAX 0.218273 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: ============== END OF LOAD BALANCING =============== 11123.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11123.8 PRESSURE: 3516400 -109.588 71.126 -12.847 71.1262 -27.9939 -30.5856 -12.8468 -30.5847 -392.094 GPRESSURE: 3516400 -104.583 36.4486 27.1248 77.8531 -2.6853 -166.841 51.3999 45.6263 -319.404 PRESSAVG: 3516400 -3.08854 -25.6317 -80.2974 -25.6317 32.4658 -11.2656 -80.2973 -11.2656 -0.377969 GPRESSAVG: 3516400 -3.48056 -26.0562 -77.9437 -24.6894 32.1268 -10.2108 -79.3433 -8.03904 1.24764 TIMING: 3516400 CPU: 11111.6, 0.00324082/step Wall: 11111.6, 0.00324082/step, 1.33558 hours remaining, 237.707031 MB of memory in use. ENERGY: 3516400 3966.0490 20558.7464 14452.3166 240.5163 -202782.4800 2546.4716 0.0000 0.0000 51746.7126 -109271.6675 297.3891 -161018.3801 -108916.7167 298.6770 -176.5586 -142.2241 761435.7320 9.6664 9.9646 PRESSURE: 3516600 4.09165 -129.894 93.9892 -129.894 175.289 -100.219 93.9896 -100.218 391.612 GPRESSURE: 3516600 109.838 -160.646 31.5398 -164.013 218.276 -82.1693 143.104 -96.9856 328.86 PRESSAVG: 3516600 -3.15956 -60.9239 60.6191 -60.924 -16.3464 30.8241 60.6191 30.8243 19.3049 GPRESSAVG: 3516600 -1.53941 -61.176 57.7423 -59.5329 -17.2242 30.1038 62.4923 29.1591 18.2257 TIMING: 3516600 CPU: 11112.2, 0.00317572/step Wall: 11112.2, 0.00317572/step, 1.30857 hours remaining, 238.031250 MB of memory in use. ENERGY: 3516600 3919.9667 20603.4461 14382.8964 246.2826 -203174.1670 2520.1970 0.0000 0.0000 52192.3651 -109309.0132 299.9502 -161501.3783 -108963.5632 298.8414 190.3308 218.9914 759663.0060 -0.0670 -0.1793 PRESSURE: 3516800 101.706 -38.3301 -27.8131 -38.3293 -254.745 277.753 -27.8138 277.753 144.761 GPRESSURE: 3516800 96.6918 65.0225 -41.5422 -104.996 -209.956 202.539 -90.5289 232.446 193.053 PRESSAVG: 3516800 -1.63017 -21.0219 -11.6425 -21.0219 -18.4079 -19.4483 -11.6425 -19.4483 25.8777 GPRESSAVG: 3516800 -2.89576 -20.8067 -11.3744 -23.9339 -16.7716 -19.3129 -14.7505 -19.623 25.8381 TIMING: 3516800 CPU: 11112.8, 0.00316906/step Wall: 11112.8, 0.00316906/step, 1.30565 hours remaining, 238.031250 MB of memory in use. ENERGY: 3516800 3931.9746 20415.6941 14469.3628 245.6667 -203260.9517 2531.2651 0.0000 0.0000 52321.6822 -109345.3061 300.6934 -161666.9883 -108982.3370 299.3309 -2.7593 26.5962 762535.3516 1.9465 2.0569 PRESSURE: 3517000 4.821 39.6484 179.903 39.6481 81.226 114.295 179.903 114.295 170.797 GPRESSURE: 3517000 52.7395 29.0546 252.323 -91.1207 136.151 149.103 169.069 146.801 154.002 PRESSAVG: 3517000 -17.2824 32.4508 -11.5943 32.4509 -8.61579 19.7035 -11.5942 19.7034 -3.36987 GPRESSAVG: 3517000 -17.206 31.0283 -9.84485 32.7116 -9.57812 17.7848 -11.4826 19.295 -2.84287 TIMING: 3517000 CPU: 11113.5, 0.00318777/step Wall: 11113.5, 0.00318777/step, 1.31318 hours remaining, 238.031250 MB of memory in use. ENERGY: 3517000 3864.0492 20432.0297 14549.1285 230.7544 -203283.9527 2756.6613 0.0000 0.0000 52310.4258 -109140.9038 300.6287 -161451.3295 -108771.4190 299.9351 85.6146 114.2976 762573.7552 -9.7560 -9.8757 PRESSURE: 3517200 159.339 365.84 -213.826 365.839 -304.985 -21.1291 -213.825 -21.1285 -397.724 GPRESSURE: 3517200 83.2512 229.916 -259.593 220.885 -174.279 -45.6461 -167.286 46.1884 -358.837 PRESSAVG: 3517200 33.5098 -5.47388 14.0985 -5.47383 -3.31163 -30.465 14.0984 -30.465 22.1627 GPRESSAVG: 3517200 32.8552 -5.45779 13.2225 -5.07164 -2.65202 -29.1692 16.5361 -29.8268 21.6284 TIMING: 3517200 CPU: 11114.1, 0.00317005/step Wall: 11114.1, 0.00317005/step, 1.30571 hours remaining, 238.031250 MB of memory in use. ENERGY: 3517200 3956.1751 20520.6481 14485.5857 236.0471 -203239.6053 2580.6210 0.0000 0.0000 52185.4223 -109275.1060 299.9103 -161460.5283 -108921.5175 299.9998 -181.1234 -149.9549 762903.4784 17.4536 17.2772 PRESSURE: 3517400 -110.753 20.5364 215.509 20.536 318.895 -106.613 215.508 -106.613 154.347 GPRESSURE: 3517400 -1.47133 -68.993 153.1 -5.40579 250.419 -54.719 123.866 -268.844 206.251 PRESSAVG: 3517400 30.7895 -34.2772 -0.840231 -34.2772 -19.3242 -12.7511 -0.840296 -12.7511 -14.3794 GPRESSAVG: 3517400 31.8528 -33.242 -2.42291 -33.4896 -19.8336 -13.0197 0.568089 -14.9897 -14.2871 TIMING: 3517400 CPU: 11114.7, 0.00315955/step Wall: 11114.7, 0.00315955/step, 1.30121 hours remaining, 238.031250 MB of memory in use. ENERGY: 3517400 4010.3853 20517.4808 14434.9896 256.2305 -203106.6323 2579.9544 0.0000 0.0000 51993.5106 -109314.0810 298.8074 -161307.5917 -108955.5484 299.7779 120.8298 151.7330 761273.2467 -0.9714 -0.7560 PRESSURE: 3517600 -281.707 -94.9059 213.08 -94.9053 -113.341 8.58546 213.081 8.58565 -343.831 GPRESSURE: 3517600 -309.251 -143.054 166.704 -43.9533 4.70396 -0.230572 147.991 116.731 -351.8 PRESSAVG: 3517600 -26.8265 -23.8168 21.6258 -23.8168 -25.4037 2.9273 21.6257 2.92737 21.0686 GPRESSAVG: 3517600 -26.5364 -26.3541 22.7449 -24.3731 -25.6695 3.94052 19.9376 4.27817 21.1337 TIMING: 3517600 CPU: 11115.4, 0.00317271/step Wall: 11115.4, 0.00317271/step, 1.30645 hours remaining, 238.031250 MB of memory in use. ENERGY: 3517600 4043.4112 20525.3202 14418.0667 249.5650 -202757.8399 2365.9280 0.0000 0.0000 51678.1396 -109477.4092 296.9950 -161155.5489 -109128.7077 299.4051 -246.2932 -218.7824 762643.1376 -10.3872 -10.3574 PRESSURE: 3517800 339.336 -148.017 210.553 -148.017 204.943 -130.352 210.552 -130.351 352.23 GPRESSURE: 3517800 327.9 -133.825 217.634 -68.5193 302.062 -47.5704 167.685 -127.621 345.962 PRESSAVG: 3517800 7.15947 -41.6673 46.2789 -41.6673 -18.2861 2.05397 46.2789 2.05387 -5.8551 GPRESSAVG: 3517800 6.50957 -41.0297 45.1313 -42.3168 -18.458 2.18991 46.0581 2.36667 -5.6278 TIMING: 3517800 CPU: 11116, 0.00316358/step Wall: 11116, 0.00316358/step, 1.30252 hours remaining, 238.031250 MB of memory in use. ENERGY: 3517800 3997.2513 20470.3674 14413.0017 247.2516 -203431.9446 2868.4463 0.0000 0.0000 52032.2111 -109403.4153 299.0298 -161435.6264 -109043.1012 298.8798 298.8365 325.3082 760714.3958 -5.6606 -5.8588 PRESSURE: 3518000 -179.398 -118.09 141.113 -118.089 53.8316 -49.1477 141.114 -49.1473 27.8437 GPRESSURE: 3518000 -203.148 -64.9693 149.524 4.72558 83.5973 -88.3858 172.122 58.2153 83.7084 PRESSAVG: 3518000 6.65708 -19.7999 68.5896 -19.7999 29.6758 48.3855 68.5896 48.3855 17.3849 GPRESSAVG: 3518000 6.15742 -19.1183 69.6098 -17.6785 29.8379 47.854 68.1963 48.2406 17.4264 TIMING: 3518000 CPU: 11116.7, 0.0031858/step Wall: 11116.7, 0.0031858/step, 1.31149 hours remaining, 238.031250 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: 3518000 4049.2013 20476.9481 14412.1481 240.3913 -203139.0150 2372.4670 0.0000 0.0000 52058.0574 -109529.8018 299.1784 -161587.8592 -109169.2939 299.1620 -32.5744 -11.9473 760480.6256 17.9059 17.8072 PRESSURE: 3518200 -457.677 35.9569 -46.1583 35.9559 -37.9111 147.579 -46.158 147.578 260.153 GPRESSURE: 3518200 -343.953 71.8456 -36.203 34.026 -52.2017 228.404 -89.7785 63.3289 258.091 PRESSAVG: 3518200 10.355 16.3845 38.2461 16.3845 -8.44904 2.25427 38.2461 2.25427 9.24138 GPRESSAVG: 3518200 10.912 16.8463 37.3499 14.398 -8.861 2.25876 38.7479 1.89507 9.20812 TIMING: 3518200 CPU: 11117.3, 0.0031551/step Wall: 11117.3, 0.0031551/step, 1.29868 hours remaining, 238.031250 MB of memory in use. ENERGY: 3518200 3948.3432 20564.2127 14443.1520 238.2276 -202836.4434 2263.0413 0.0000 0.0000 52026.7496 -109352.7170 298.9984 -161379.4666 -108990.6396 298.7528 -78.4782 -46.0214 760909.7827 3.7158 3.7530 PRESSURE: 3518400 -165.898 -114.089 -385.62 -114.09 -48.0381 8.63741 -385.62 8.63679 -308.832 GPRESSURE: 3518400 -96.729 -68.0228 -235.506 -87.6475 -91.7482 37.6805 -334.51 -53.1818 -259.231 PRESSAVG: 3518400 9.74429 -44.5282 -18.9706 -44.5282 -4.01977 -12.974 -18.9706 -12.974 5.34154 GPRESSAVG: 3518400 9.60778 -46.1903 -17.3566 -43.3127 -3.21388 -13.0767 -19.2963 -13.7318 4.44964 TIMING: 3518400 CPU: 11117.9, 0.00315703/step Wall: 11117.9, 0.00315703/step, 1.29929 hours remaining, 238.031250 MB of memory in use. ENERGY: 3518400 3972.4279 20589.4181 14467.4230 255.3630 -202899.9331 2362.4382 0.0000 0.0000 52003.2712 -109249.5916 298.8635 -161252.8628 -108887.3629 299.7051 -174.2560 -149.2360 759872.9851 3.6887 3.6145 PRESSURE: 3518600 -471.781 24.1001 119.285 24.1006 -99.5439 -15.0349 119.286 -15.0345 -145.822 GPRESSURE: 3518600 -423.452 38.3184 93.2661 19.3411 -74.4192 152.351 32.1102 3.42371 -134.575 PRESSAVG: 3518600 -1.80576 -88.9407 -20.5823 -88.9408 15.04 24.0927 -20.5823 24.0927 -2.73272 GPRESSAVG: 3518600 -2.57739 -88.5466 -22.0949 -90.3637 15.1643 24.6025 -22.4112 25.8262 -2.22353 TIMING: 3518600 CPU: 11118.6, 0.00318536/step Wall: 11118.6, 0.00318536/step, 1.31078 hours remaining, 238.031250 MB of memory in use. ENERGY: 3518600 3948.4381 20505.3701 14379.2743 231.2054 -202769.7112 2213.3204 0.0000 0.0000 51824.8075 -109667.2954 297.8379 -161492.1029 -109306.7570 298.9624 -239.0490 -210.8154 760944.0968 3.5005 3.4544 PRESSURE: 3518800 77.4256 -134.67 98.6713 -134.67 68.9819 -121.217 98.6722 -121.215 49.6125 GPRESSURE: 3518800 94.8406 -187.5 130.859 -97.1592 140.98 -161.624 21.2512 -114.374 32.2819 PRESSAVG: 3518800 -69.8144 -28.8521 26.0612 -28.8521 66.8072 7.4761 26.0612 7.47605 7.48147 GPRESSAVG: 3518800 -69.7013 -27.4295 26.6111 -27.9034 67.1273 7.62614 25.795 6.64574 6.74139 TIMING: 3518800 CPU: 11119.2, 0.00317757/step Wall: 11119.2, 0.00317757/step, 1.30739 hours remaining, 238.031250 MB of memory in use. ENERGY: 3518800 3988.7442 20602.4252 14451.2399 237.7624 -203461.8191 2468.2076 0.0000 0.0000 52274.3838 -109439.0560 300.4216 -161713.4399 -109073.0147 298.9275 65.3400 89.3674 758181.9561 1.4914 1.3891 PRESSURE: 3519000 -55.705 106.247 -60.1058 106.247 55.5117 301.485 -60.1062 301.486 466.943 GPRESSURE: 3519000 63.07 24.8193 8.1782 60.7978 48.0994 263.751 -162.167 257.778 456.637 PRESSAVG: 3519000 -34.3059 -7.87358 -9.06901 -7.87354 30.2732 6.19952 -9.06902 6.19952 8.36628 GPRESSAVG: 3519000 -34.3952 -9.0288 -9.6843 -9.8399 29.1874 4.81996 -6.93793 6.65001 9.63509 TIMING: 3519000 CPU: 11119.8, 0.00317096/step Wall: 11119.8, 0.00317096/step, 1.3045 hours remaining, 238.031250 MB of memory in use. ENERGY: 3519000 4017.3149 20583.0668 14448.5583 269.1372 -203254.6617 2577.3672 0.0000 0.0000 52136.9026 -109222.3146 299.6315 -161359.2172 -108867.2352 299.8421 155.5832 189.2689 761467.2450 1.4445 1.4758 PRESSURE: 3519200 -215.067 -150.22 278.631 -150.22 250.718 83.2756 278.629 83.2755 -197.602 GPRESSURE: 3519200 -191.27 -37.0754 307.985 -138.973 258.843 127.267 193.048 236.823 -154.833 PRESSAVG: 3519200 -11.0935 10.5936 47.9926 10.5936 34.8945 23.2095 47.9928 23.2095 14.9724 GPRESSAVG: 3519200 -9.99019 11.1874 48.1598 13.2012 34.7517 23.7135 48.02 23.7691 14.3649 TIMING: 3519200 CPU: 11120.5, 0.00317204/step Wall: 11120.5, 0.00317204/step, 1.30476 hours remaining, 238.031250 MB of memory in use. ENERGY: 3519200 4085.4774 20539.2678 14477.3762 250.9798 -203141.8637 2496.3641 0.0000 0.0000 51979.7384 -109312.6600 298.7283 -161292.3984 -108954.5257 299.0725 -53.9838 -29.0865 762131.4889 12.9244 13.0421 PRESSURE: 3519400 114.301 -131.302 -23.4187 -131.302 53.5437 53.7841 -23.4183 53.7856 16.9761 GPRESSURE: 3519400 200.792 13.3802 52.3866 -109.263 71.3943 99.4061 -61.0965 75.0021 -5.022 PRESSAVG: 3519400 -23.0937 -74.163 20.0011 -74.163 62.4668 21.496 20.0011 21.496 27.0278 GPRESSAVG: 3519400 -24.2641 -73.2945 20.9684 -75.2045 62.6961 21.9406 18.6084 21.1593 27.4922 TIMING: 3519400 CPU: 11121.1, 0.00317149/step Wall: 11121.1, 0.00317149/step, 1.30436 hours remaining, 238.031250 MB of memory in use. ENERGY: 3519400 4075.2916 20415.9354 14391.6636 236.5588 -203507.2330 2708.7997 0.0000 0.0000 52355.7516 -109323.2322 300.8892 -161678.9838 -108952.0654 299.5423 61.6068 89.0547 760169.0568 22.1336 21.9747 PRESSURE: 3519600 56.1421 -60.7391 129.613 -60.739 -144.066 -181.744 129.612 -181.743 -201.866 GPRESSURE: 3519600 76.2046 11.1637 247.011 27.4128 -75.4869 -157.679 -23.8055 -104.772 -213.003 PRESSAVG: 3519600 -45.2107 36.383 44.5056 36.3831 37.5824 5.00097 44.5056 5.00095 -8.52856 GPRESSAVG: 3519600 -44.9486 35.7023 43.7104 36.8681 38.7261 5.56106 46.6368 6.68192 -10.1336 TIMING: 3519600 CPU: 11121.7, 0.00317802/step Wall: 11121.7, 0.00317802/step, 1.30687 hours remaining, 238.289062 MB of memory in use. ENERGY: 3519600 3988.7715 20640.2695 14376.0895 222.8214 -203059.8037 2407.1559 0.0000 0.0000 52122.3467 -109302.3493 299.5478 -161424.6959 -108935.7986 299.2256 -96.5967 -70.7617 760953.5637 -5.3856 -5.4520 PRESSURE: 3519800 57.5361 -158.156 -47.4574 -158.157 -1.04544 -105.3 -47.4566 -105.3 257.617 GPRESSURE: 3519800 148.15 -41.3302 -100.494 -233.871 31.3928 -106.03 -36.0429 28.5417 210.015 PRESSAVG: 3519800 68.3727 -39.6967 30.6911 -39.6967 -28.0883 -32.6639 30.6911 -32.6638 -7.78852 GPRESSAVG: 3519800 69.5298 -38.5666 30.5464 -39.8214 -28.9263 -32.4331 30.8518 -35.668 -7.92576 TIMING: 3519800 CPU: 11122.4, 0.00316151/step Wall: 11122.4, 0.00316151/step, 1.29991 hours remaining, 238.289062 MB of memory in use. ENERGY: 3519800 3959.7818 20464.7037 14477.3814 243.5272 -202932.9426 2394.8489 0.0000 0.0000 52274.3467 -109118.3529 300.4214 -161392.6995 -108748.5553 299.7522 104.7026 129.8527 759885.3976 10.8320 10.8926 PRESSURE: 3520000 165.053 226.226 -207.164 226.226 159.988 -209.362 -207.164 -209.363 152.297 GPRESSURE: 3520000 217.93 267.719 -164.704 315.304 222.209 -124.352 -136.198 -100.191 130.766 PRESSAVG: 3520000 4.82379 21.827 19.158 21.827 41.7653 -26.2856 19.158 -26.2856 15.9413 GPRESSAVG: 3520000 4.72407 21.0685 19.4883 22.3764 41.0131 -26.5142 16.6374 -25.3873 16.6994 TIMING: 3520000 CPU: 11123, 0.00316202/step Wall: 11123, 0.00316202/step, 1.29994 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: 3520000 3974.3062 20604.2073 14447.3549 264.6195 -203144.7909 2618.8062 0.0000 0.0000 52227.7812 -109007.7156 300.1538 -161235.4969 -108653.5906 299.6614 159.1128 190.3019 761874.1488 20.8435 20.8122 PRESSURE: 3520200 -302.192 8.13376 159.288 8.13441 -117.566 -93.2084 159.287 -93.2088 -195.887 GPRESSURE: 3520200 -215.405 -2.35288 87.6362 53.7793 -150.863 -75.0552 221.228 -205.812 -145.451 PRESSAVG: 3520200 25.096 40.2733 48.239 40.2733 5.52674 -7.37863 48.2391 -7.37867 -14.1364 GPRESSAVG: 3520200 25.1277 40.216 48.668 39.2706 5.75752 -7.27966 50.0896 -8.07995 -14.6485 TIMING: 3520200 CPU: 11123.6, 0.00316167/step Wall: 11123.6, 0.00316167/step, 1.29962 hours remaining, 238.289062 MB of memory in use. ENERGY: 3520200 3916.9766 20603.5464 14418.8328 251.4518 -202364.9834 2080.0545 0.0000 0.0000 52178.4818 -108915.6395 299.8705 -161094.1213 -108555.5829 300.0121 -205.2152 -170.5733 762209.6341 5.4955 5.4122 LDB: ============= START OF LOAD BALANCING ============== 11136.2 LDB: ============== END OF LOAD BALANCING =============== 11136.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11136.2 LDB: ============= START OF LOAD BALANCING ============== 11136.5 LDB: Largest compute 7058 load 0.034299 is 17.5% of average load 0.195475 LDB: Average compute 0.004377 is 2.2% of average load 0.195475 LDB: TIME 11136.5 LOAD: AVG 0.195475 MAX 0.216251 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.648 MB LDB: TIME 11136.5 LOAD: AVG 0.195475 MAX 0.216251 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.742 MB LDB: TIME 11136.5 LOAD: AVG 0.195475 MAX 0.216251 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.742 MB LDB: ============== END OF LOAD BALANCING =============== 11136.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11136.5 PRESSURE: 3520400 -232.269 204.215 -32.8101 204.215 -441.828 -140.085 -32.8094 -140.084 -386.433 GPRESSURE: 3520400 -223.411 203.089 -156.508 161.404 -353.144 -116.198 8.6383 -125.022 -396.384 PRESSAVG: 3520400 7.77666 -3.89907 19.6222 -3.89903 -12.8404 -15.6929 19.6222 -15.693 -20.0884 GPRESSAVG: 3520400 7.87107 -3.09378 17.7732 -3.6704 -13.7102 -15.0763 18.6507 -13.8944 -19.484 TIMING: 3520400 CPU: 11124.3, 0.00323241/step Wall: 11124.3, 0.00323241/step, 1.32852 hours remaining, 236.933594 MB of memory in use. ENERGY: 3520400 4036.8646 20564.7351 14474.3089 248.3040 -202715.0329 2150.1913 0.0000 0.0000 52126.7843 -109113.8447 299.5733 -161240.6290 -108759.7535 300.0397 -353.5102 -324.3130 762240.1425 -8.3840 -8.4411 PRESSURE: 3520600 -255.963 18.2615 -193.65 18.2606 -20.3733 75.4062 -193.649 75.4061 -37.2741 GPRESSURE: 3520600 -250.916 36.349 -185.8 -60.4397 40.0443 177.482 -114.3 8.55656 -48.2383 PRESSAVG: 3520600 -94.544 26.2004 -52.9823 26.2004 62.5887 -4.48396 -52.9823 -4.48398 -13.2505 GPRESSAVG: 3520600 -96.1556 27.1498 -53.3141 25.4231 63.1868 -5.82032 -52.7331 -4.1941 -12.9525 TIMING: 3520600 CPU: 11124.9, 0.00316428/step Wall: 11124.9, 0.00316428/step, 1.30034 hours remaining, 237.460938 MB of memory in use. ENERGY: 3520600 4061.1866 20610.1765 14477.4763 254.3168 -202976.8439 2396.3207 0.0000 0.0000 51840.2135 -109337.1536 297.9264 -161177.3671 -108986.4090 299.1739 -104.5366 -86.3701 762293.5028 -15.0686 -15.3071 PRESSURE: 3520800 -53.741 -16.5939 -182.877 -16.5939 141.673 74.77 -182.878 74.7701 -0.725776 GPRESSURE: 3520800 -13.1824 -24.071 -146.33 67.8696 178.999 70.7767 -78.9933 -21.4521 0.437096 PRESSAVG: 3520800 -37.5907 22.8943 -27.4755 22.8943 -1.29945 12.8488 -27.4755 12.8488 12.8018 GPRESSAVG: 3520800 -37.5007 21.8303 -25.3108 23.5579 -0.303036 11.9395 -27.5676 12.5196 11.7173 TIMING: 3520800 CPU: 11125.5, 0.00315406/step Wall: 11125.5, 0.00315406/step, 1.29597 hours remaining, 237.476562 MB of memory in use. ENERGY: 3520800 4039.7973 20505.4758 14407.4940 237.7126 -203456.3313 2809.6865 0.0000 0.0000 52098.5944 -109357.5706 299.4113 -161456.1650 -108997.7241 298.8354 29.0688 55.4180 761465.1175 -8.6961 -8.6955 PRESSURE: 3521000 -324.221 -128.629 -26.8932 -128.63 -20.1361 51.4167 -26.8934 51.4168 -204.462 GPRESSURE: 3521000 -323.309 -43.2033 -66.7348 -184.607 9.42381 90.3887 156.981 -52.8763 -153.761 PRESSAVG: 3521000 -49.8949 -30.7052 -13.9129 -30.7052 93.8618 20.9336 -13.9129 20.9336 -31.9271 GPRESSAVG: 3521000 -50.1706 -28.8866 -15.2384 -29.536 93.671 22.3716 -13.9515 20.5226 -31.0634 TIMING: 3521000 CPU: 11126.2, 0.00318105/step Wall: 11126.2, 0.00318105/step, 1.30688 hours remaining, 237.476562 MB of memory in use. ENERGY: 3521000 3997.8901 20431.1387 14496.1771 246.7760 -202811.8904 2212.0239 0.0000 0.0000 52031.9130 -109395.9717 299.0281 -161427.8847 -109032.4005 298.8462 -182.9397 -155.8819 763270.9786 4.0132 4.1457 PRESSURE: 3521200 -25.0183 -56.2415 40.0304 -56.2399 328.198 176.344 40.0311 176.343 93.659 GPRESSURE: 3521200 9.9404 -111.432 94.937 -142.431 371.352 137.947 83.2102 189.741 109.101 PRESSAVG: 3521200 -44.3681 -8.83689 -7.75173 -8.8369 48.1176 -23.376 -7.75169 -23.376 5.59367 GPRESSAVG: 3521200 -43.901 -9.94279 -4.78919 -9.40916 47.7207 -23.3213 -9.40013 -23.5857 4.85718 TIMING: 3521200 CPU: 11126.8, 0.00316957/step Wall: 11126.8, 0.00316957/step, 1.30199 hours remaining, 237.464844 MB of memory in use. ENERGY: 3521200 3928.0963 20503.1344 14390.5646 242.6411 -202858.5795 2518.0432 0.0000 0.0000 52034.8723 -109241.2277 299.0451 -161276.0999 -108881.6541 299.1252 132.2797 163.4645 762385.7650 3.1144 2.8923 PRESSURE: 3521400 -260.509 -36.5691 19.9513 -36.5692 -260.209 109.141 19.9514 109.142 208.495 GPRESSURE: 3521400 -201.378 -91.754 -20.0889 37.3055 -196.766 196.506 41.6113 -14.9285 184.304 PRESSAVG: 3521400 -43.6677 -17.9981 15.455 -17.998 8.45768 8.12327 15.455 8.12325 -18.853 GPRESSAVG: 3521400 -44.2913 -19.2376 14.7867 -17.8771 9.3984 5.82286 15.0299 7.71436 -18.7553 TIMING: 3521400 CPU: 11127.4, 0.00316596/step Wall: 11127.4, 0.00316596/step, 1.30033 hours remaining, 237.464844 MB of memory in use. ENERGY: 3521400 3910.0987 20386.0817 14477.0465 269.6796 -202977.0450 2373.7146 0.0000 0.0000 52116.0130 -109444.4108 299.5114 -161560.4238 -109091.1586 298.6730 -104.0745 -71.2801 762054.5083 -18.0210 -17.8827 PRESSURE: 3521600 101.151 -58.2278 1.4557 -58.2275 316.305 -130.323 1.4556 -130.321 -8.6126 GPRESSURE: 3521600 112.357 -3.45019 81.3879 -56.2605 338.908 -212.093 109.601 -12.9986 45.1297 PRESSAVG: 3521600 11.4778 70.5548 6.7677 70.5548 -10.9945 -63.2371 6.76762 -63.2372 25.6734 GPRESSAVG: 3521600 11.7768 70.8033 4.84586 70.9462 -12.6191 -61.9063 9.80342 -63.4968 26.4095 TIMING: 3521600 CPU: 11128.1, 0.00314046/step Wall: 11128.1, 0.00314046/step, 1.28968 hours remaining, 237.464844 MB of memory in use. ENERGY: 3521600 4001.6247 20443.6122 14471.3208 245.1004 -203354.8948 2681.4040 0.0000 0.0000 52156.1538 -109355.6789 299.7421 -161511.8327 -108991.7142 299.1781 136.2813 165.4649 761916.3505 8.7189 8.5224 PRESSURE: 3521800 -390.131 47.704 -38.8776 47.7048 19.0957 -87.5876 -38.8777 -87.5884 -139.809 GPRESSURE: 3521800 -333.295 31.4959 -96.3544 -94.2151 70.9361 -58.6754 20.3966 -125.196 -150.379 PRESSAVG: 3521800 -27.0782 -3.60636 29.7083 -3.60643 -22.4841 -36.3311 29.7083 -36.3312 -22.6955 GPRESSAVG: 3521800 -25.8896 -1.77642 31.4487 -6.86909 -22.8235 -36.8217 29.0868 -34.5952 -23.6617 TIMING: 3521800 CPU: 11128.7, 0.00317933/step Wall: 11128.7, 0.00317933/step, 1.30547 hours remaining, 237.535156 MB of memory in use. ENERGY: 3521800 4006.1020 20505.5069 14400.9427 250.2577 -203176.4905 2672.7267 0.0000 0.0000 52146.3180 -109194.6366 299.6856 -161340.9546 -108833.0978 299.4207 -170.2815 -137.5791 763379.6433 -24.0859 -24.1249 PRESSURE: 3522000 147.254 115.133 -79.3738 115.133 29.4483 13.2815 -79.3734 13.2807 182.513 GPRESSURE: 3522000 249.488 115.942 -77.6012 196.105 -46.1004 -47.9688 -207.471 -39.7466 215.616 PRESSAVG: 3522000 -8.71257 20.9033 -22.0076 20.9033 -2.60808 -30.1659 -22.0076 -30.166 13.6477 GPRESSAVG: 3522000 -9.43717 16.2007 -24.216 23.2983 -2.89452 -31.3137 -23.4833 -30.1461 14.0391 TIMING: 3522000 CPU: 11129.3, 0.00318539/step Wall: 11129.3, 0.00318539/step, 1.30778 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: 3522000 3990.8568 20349.2751 14472.5642 260.5838 -203622.8574 2927.6087 0.0000 0.0000 52279.7512 -109342.2175 300.4524 -161621.9687 -108974.5658 299.1231 119.7385 139.6678 762067.7636 0.7757 0.5691 PRESSURE: 3522200 -26.4031 -126.77 -20.8808 -126.77 239.662 -3.04353 -20.8809 -3.04357 134.038 GPRESSURE: 3522200 70.0088 -48.006 -6.67539 -145.74 238.033 -40.9369 -28.1894 92.9001 116.666 PRESSAVG: 3522200 -2.49915 23.3826 -43.7138 23.3826 32.6737 -37.7296 -43.7137 -37.7296 -8.21071 GPRESSAVG: 3522200 -2.67648 27.167 -40.9608 23.8205 32.9773 -36.8765 -42.8775 -38.1733 -8.63633 TIMING: 3522200 CPU: 11130, 0.00318094/step Wall: 11130, 0.00318094/step, 1.30578 hours remaining, 237.546875 MB of memory in use. ENERGY: 3522200 4042.9125 20558.7655 14427.7897 243.7763 -203241.7151 2733.1452 0.0000 0.0000 51993.2542 -109242.0717 298.8059 -161235.3259 -108890.4991 299.4162 115.7659 141.5694 761712.0898 7.3213 7.2215 PRESSURE: 3522400 -345.696 69.2985 -0.101586 69.299 -167.996 -113.353 -0.100937 -113.354 206.518 GPRESSURE: 3522400 -314.643 55.6469 -8.35764 172.838 -74.2168 1.87944 -17.7845 -206.041 173.98 PRESSAVG: 3522400 31.4514 -10.9903 -36.0429 -10.9903 -8.88082 -4.03338 -36.0429 -4.03342 -4.97204 GPRESSAVG: 3522400 31.5983 -11.4254 -37.3052 -12.1334 -9.3289 -3.74285 -35.8392 -4.91864 -4.95997 TIMING: 3522400 CPU: 11130.6, 0.00318706/step Wall: 11130.6, 0.00318706/step, 1.30811 hours remaining, 237.546875 MB of memory in use. ENERGY: 3522400 3998.2237 20702.6460 14450.8330 239.7150 -203131.3602 2531.6379 0.0000 0.0000 52006.0932 -109202.2114 298.8797 -161208.3046 -108842.1157 299.1721 -102.3913 -71.6268 762356.4379 5.8662 5.7698 PRESSURE: 3522600 149.44 182.034 -35.7876 182.034 -253.946 6.99279 -35.7878 6.99195 -359.536 GPRESSURE: 3522600 26.4098 27.4294 -71.9876 -2.35471 -82.8144 28.7382 111.938 0.49863 -313.516 PRESSAVG: 3522600 18.1452 -76.5205 -35.6647 -76.5205 -3.91591 -34.1067 -35.6647 -34.1067 -12.9009 GPRESSAVG: 3522600 17.3469 -75.191 -37.3957 -75.6286 -2.93912 -34.613 -33.6618 -35.617 -12.6682 TIMING: 3522600 CPU: 11131.2, 0.00316456/step Wall: 11131.2, 0.00316456/step, 1.2987 hours remaining, 237.546875 MB of memory in use. ENERGY: 3522600 3994.4449 20725.8554 14464.8722 242.3717 -203406.7615 2511.1150 0.0000 0.0000 52229.4101 -109238.6921 300.1631 -161468.1022 -108874.3939 299.2849 -154.6805 -123.3070 760807.8212 0.4428 0.5799 PRESSURE: 3522800 -524.523 64.2826 203.798 64.282 -36.3579 40.9849 203.799 40.9843 -194.52 GPRESSURE: 3522800 -402.103 21.0501 184.053 39.4042 -22.7644 1.98596 -19.7469 196.838 -235.699 PRESSAVG: 3522800 -22.3406 29.6032 37.6488 29.6031 28.5537 -21.4489 37.6488 -21.4489 -2.71629 GPRESSAVG: 3522800 -21.5494 28.8112 38.6665 30.2275 27.4075 -20.8746 35.1633 -19.3547 -2.14416 TIMING: 3522800 CPU: 11131.9, 0.0031755/step Wall: 11131.9, 0.0031755/step, 1.30301 hours remaining, 237.546875 MB of memory in use. ENERGY: 3522800 4080.5705 20401.9742 14444.2435 252.9117 -203122.7090 2383.8419 0.0000 0.0000 52151.7431 -109407.4241 299.7168 -161559.1672 -109047.7447 298.9719 -251.8004 -220.1888 760987.8709 1.1656 1.2380 PRESSURE: 3523000 -54.3284 -132.743 26.7496 -132.743 46.4048 81.9458 26.7489 81.9463 -104.859 GPRESSURE: 3523000 -51.8699 -209.527 -43.2286 9.802 59.7636 17.9158 44.4878 33.9681 -43.2318 PRESSAVG: 3523000 2.61692 -4.90923 -23.2373 -4.90935 26.4099 -45.8603 -23.2373 -45.8604 8.641 GPRESSAVG: 3523000 3.19857 -5.20779 -24.056 -4.94548 27.0318 -45.374 -22.3077 -46.9635 7.04666 TIMING: 3523000 CPU: 11132.5, 0.00315865/step Wall: 11132.5, 0.00315865/step, 1.29592 hours remaining, 237.546875 MB of memory in use. ENERGY: 3523000 4034.3029 20542.0552 14485.5290 224.3945 -203372.0838 2638.5365 0.0000 0.0000 52041.1868 -109406.0789 299.0814 -161447.2657 -109052.0737 299.3137 -37.5944 -11.7794 761094.6905 12.5559 12.4257 PRESSURE: 3523200 197.967 -63.4362 -88.5077 -63.4363 241.844 100.238 -88.508 100.239 -61.5475 GPRESSURE: 3523200 239.999 -43.1623 -98.998 -83.1692 296.522 201.561 -75.5219 17.1987 -84.2902 PRESSAVG: 3523200 -11.7607 3.39196 -31.0344 3.39202 28.7754 12.0736 -31.0344 12.0736 34.4407 GPRESSAVG: 3523200 -12.0765 2.49222 -30.7713 2.85191 28.2151 12.2883 -30.0604 13.195 35.0164 TIMING: 3523200 CPU: 11133.1, 0.00316064/step Wall: 11133.1, 0.00316064/step, 1.29656 hours remaining, 237.546875 MB of memory in use. ENERGY: 3523200 3957.6442 20584.2371 14410.5478 233.3556 -203202.3578 2464.7272 0.0000 0.0000 51872.2326 -109679.6134 298.1104 -161551.8460 -109331.5282 299.1070 126.0879 150.7433 758807.4449 17.1518 17.0517 PRESSURE: 3523400 2.13972 113.317 -161.842 113.317 -266.764 -101.65 -161.841 -101.649 176.678 GPRESSURE: 3523400 -69.9072 223.385 -163.2 73.6735 -148.928 -85.6606 -91.8303 -100.745 227.041 PRESSAVG: 3523400 0.948044 20.6035 -10.3295 20.6036 10.3868 -21.9849 -10.3295 -21.9848 6.47047 GPRESSAVG: 3523400 0.862164 21.5732 -11.2736 19.4838 10.1301 -21.4794 -10.8884 -23.4014 6.82329 TIMING: 3523400 CPU: 11133.8, 0.00317116/step Wall: 11133.8, 0.00317116/step, 1.3007 hours remaining, 237.546875 MB of memory in use. ENERGY: 3523400 4034.7211 20394.5393 14432.0321 255.5823 -203389.9421 2657.0734 0.0000 0.0000 51899.7583 -109716.2355 298.2686 -161615.9938 -109361.8925 298.9777 -29.3155 2.7353 759801.1617 5.9351 5.9385 PRESSURE: 3523600 170.256 -178.024 58.8065 -178.024 162.547 167.955 58.8073 167.955 -256.05 GPRESSURE: 3523600 265.7 -219.227 52.5581 -113.3 173.35 188.315 122.497 139.052 -262.364 PRESSAVG: 3523600 -18.4731 -22.0522 -23.0153 -22.0522 0.392912 -4.13529 -23.0153 -4.13516 28.9135 GPRESSAVG: 3523600 -18.0903 -24.3861 -20.9271 -20.9718 1.48079 -4.88621 -22.7974 -6.58381 27.3295 TIMING: 3523600 CPU: 11134.4, 0.00316992/step Wall: 11134.4, 0.00316992/step, 1.30002 hours remaining, 237.546875 MB of memory in use. ENERGY: 3523600 3975.6452 20582.2098 14468.0234 254.9955 -203530.7669 2639.9621 0.0000 0.0000 52044.9983 -109564.9328 299.1033 -161609.9310 -109199.0659 299.4314 25.5845 58.8957 761671.5186 3.6111 3.5733 PRESSURE: 3523800 94.7076 -63.4664 327.16 -63.4661 -13.1881 -154.029 327.161 -154.028 210.125 GPRESSURE: 3523800 243.741 -30.7423 246.178 -0.712621 -70.4582 -134.312 191.976 -56.2055 182.695 PRESSAVG: 3523800 -18.8914 2.83625 8.74604 2.83624 27.2831 -18.1686 8.74603 -18.1686 -5.07217 GPRESSAVG: 3523800 -18.763 4.6645 7.70781 2.99237 27.2748 -18.7747 9.60663 -14.5359 -4.93166 TIMING: 3523800 CPU: 11135, 0.00318549/step Wall: 11135, 0.00318549/step, 1.30623 hours remaining, 237.546875 MB of memory in use. ENERGY: 3523800 3893.0953 20522.5344 14585.2655 259.1079 -203272.8761 2613.9618 0.0000 0.0000 51932.8528 -109466.0585 298.4588 -161398.9112 -109106.6540 299.3557 97.2148 118.6592 760914.0788 1.1065 1.1934 PRESSURE: 3524000 148.094 109.091 -213.147 109.092 -67.9358 15.7491 -213.147 15.7501 -111.012 GPRESSURE: 3524000 175.384 43.6434 -123.682 181.158 -59.7256 40.3597 -174.101 -63.0447 -69.4986 PRESSAVG: 3524000 -23.0891 1.5957 -10.6901 1.59568 -20.831 -26.4043 -10.6901 -26.4043 -6.84507 GPRESSAVG: 3524000 -23.9799 1.62876 -11.6746 0.704465 -20.44 -26.6311 -11.718 -25.4681 -6.09398 TIMING: 3524000 CPU: 11135.7, 0.00316015/step Wall: 11135.7, 0.00316015/step, 1.29566 hours remaining, 237.546875 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: 3524000 3994.4590 20484.6344 14538.5709 247.3518 -203030.2716 2504.6313 0.0000 0.0000 51995.2460 -109265.3781 298.8174 -161260.6242 -108905.7407 299.1292 -10.2849 15.3867 762590.7149 -16.9217 -16.8380 PRESSURE: 3524200 -477.764 45.0688 28.5348 45.0687 -8.10375 82.7143 28.535 82.7145 -120.36 GPRESSURE: 3524200 -330.314 83.9229 53.5007 70.4814 -35.9437 28.1387 -64.726 216.654 -161.519 PRESSAVG: 3524200 -22.7524 -19.5466 -58.0944 -19.5466 20.8126 -3.92146 -58.0944 -3.9215 1.36728 GPRESSAVG: 3524200 -21.7149 -19.7157 -58.6993 -18.5789 19.9996 -1.95203 -56.5647 -6.24484 1.59038 TIMING: 3524200 CPU: 11136.3, 0.00316303/step Wall: 11136.3, 0.00316303/step, 1.29667 hours remaining, 237.546875 MB of memory in use. ENERGY: 3524200 3965.7934 20509.7638 14459.2581 261.1312 -203153.5148 2526.8156 0.0000 0.0000 52210.5546 -109220.1982 300.0548 -161430.7528 -108854.3767 299.3720 -202.0762 -175.9255 760741.2059 -0.1909 -0.0416 LDB: ============= START OF LOAD BALANCING ============== 11148.8 LDB: ============== END OF LOAD BALANCING =============== 11148.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11148.8 LDB: ============= START OF LOAD BALANCING ============== 11149.2 LDB: Largest compute 7058 load 0.032332 is 16.5% of average load 0.195610 LDB: Average compute 0.004369 is 2.2% of average load 0.195610 LDB: TIME 11149.2 LOAD: AVG 0.19561 MAX 0.21294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 11149.2 LOAD: AVG 0.19561 MAX 0.21294 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236 MB LDB: TIME 11149.2 LOAD: AVG 0.19561 MAX 0.21294 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236 MB LDB: ============== END OF LOAD BALANCING =============== 11149.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11149.2 PRESSURE: 3524400 227.533 169.026 273.826 169.026 15.6277 -61.5226 273.826 -61.5223 -56.6634 GPRESSURE: 3524400 345.806 219.299 148.801 89.9866 43.9403 1.04292 368.896 -119.615 -107.249 PRESSAVG: 3524400 6.13016 0.287885 -24.3106 0.287896 -25.7911 -58.1367 -24.3106 -58.1367 3.12038 GPRESSAVG: 3524400 7.00508 2.74942 -22.9529 -0.710723 -26.6313 -57.6319 -25.1926 -57.8321 2.52604 TIMING: 3524400 CPU: 11137, 0.00325484/step Wall: 11137, 0.00325484/step, 1.33412 hours remaining, 236.187500 MB of memory in use. ENERGY: 3524400 3976.3436 20455.8006 14501.2607 233.2414 -203025.9844 2541.3930 0.0000 0.0000 51958.5234 -109359.4218 298.6063 -161317.9453 -109001.8585 299.2159 62.1656 94.1656 761742.0520 -5.5135 -5.7001 PRESSURE: 3524600 -62.6244 17.6728 149.992 17.6717 171.327 -17.8158 149.992 -17.816 38.3103 GPRESSURE: 3524600 -114.481 -42.1144 130.306 70.5242 281.333 63.5462 97.9024 9.92836 82.797 PRESSAVG: 3524600 -51.5785 -24.0862 -2.86052 -24.0862 59.2462 8.40945 -2.86049 8.40951 -15.6716 GPRESSAVG: 3524600 -53.9818 -23.2402 -2.56089 -25.2642 60.3151 7.81662 -3.72899 9.083 -13.8725 TIMING: 3524600 CPU: 11137.6, 0.00317619/step Wall: 11137.6, 0.00317619/step, 1.30171 hours remaining, 236.257812 MB of memory in use. ENERGY: 3524600 4081.3311 20460.6346 14416.3606 257.7064 -203411.3306 2833.8781 0.0000 0.0000 51851.4362 -109509.9838 297.9909 -161361.4200 -109148.5598 299.0613 49.0045 83.2166 759038.1485 -2.6680 -2.5131 PRESSURE: 3524800 -102.664 -51.7307 -270.962 -51.7304 -189.78 9.2661 -270.961 9.26608 -237.907 GPRESSURE: 3524800 -87.267 -29.0769 -277.153 21.397 -129.814 14.5661 -259.899 113.944 -230.703 PRESSAVG: 3524800 -44.8421 12.1991 2.30007 12.1991 26.3073 -54.1808 2.30004 -54.1808 3.1576 GPRESSAVG: 3524800 -43.3065 6.87206 0.702831 13.4996 25.7894 -55.4016 2.01371 -52.5761 1.42978 TIMING: 3524800 CPU: 11138.2, 0.00317506/step Wall: 11138.2, 0.00317506/step, 1.30107 hours remaining, 236.257812 MB of memory in use. ENERGY: 3524800 3977.2195 20483.2355 14471.9174 247.1711 -203282.7070 2458.5263 0.0000 0.0000 52026.5117 -109618.1255 298.9971 -161644.6372 -109254.7674 298.6424 -176.7838 -149.2613 760773.5009 -5.1257 -5.3624 PRESSURE: 3525000 -26.2945 -147.502 -210.616 -147.502 149.28 -153.161 -210.616 -153.162 275.295 GPRESSURE: 3525000 34.141 -59.5286 -164.706 -198.973 177.403 -203.722 -209.959 -36.9083 265.148 PRESSAVG: 3525000 7.52925 -17.4926 -10.5078 -17.4926 14.4536 -62.0652 -10.5077 -62.0652 -1.83606 GPRESSAVG: 3525000 7.80539 -13.4093 -9.16911 -17.3624 13.8782 -60.8755 -9.34699 -63.3727 -2.03506 TIMING: 3525000 CPU: 11138.9, 0.00318667/step Wall: 11138.9, 0.00318667/step, 1.30565 hours remaining, 236.257812 MB of memory in use. ENERGY: 3525000 3994.8438 20509.6661 14489.6846 250.6838 -203156.9993 2569.2795 0.0000 0.0000 51881.2323 -109461.6093 298.1622 -161342.8416 -109105.9158 298.6786 132.7600 158.8973 761024.2386 6.7156 6.5495 PRESSURE: 3525200 -56.6839 -79.8528 200.538 -79.8541 64.6915 16.435 200.538 16.4357 259.676 GPRESSURE: 3525200 16.4497 -80.1232 130.918 -127.525 11.3133 -15.1297 176.144 156.984 297.604 PRESSAVG: 3525200 -37.781 24.961 37.3327 24.9609 25.9788 -24.6715 37.3327 -24.6714 -1.84663 GPRESSAVG: 3525200 -38.3262 23.0964 38.1268 25.2873 26.0285 -25.6859 35.8875 -25.29 -1.88138 TIMING: 3525200 CPU: 11139.5, 0.00318263/step Wall: 11139.5, 0.00318263/step, 1.30382 hours remaining, 236.460938 MB of memory in use. ENERGY: 3525200 3915.2601 20476.6812 14447.6785 251.6675 -203581.6592 2965.1593 0.0000 0.0000 52044.5050 -109480.7075 299.1005 -161525.2125 -109119.2574 299.0577 89.2279 108.4555 761281.5834 -4.5496 -4.7264 PRESSURE: 3525400 -280.954 -73.5252 -34.0036 -73.5245 -168.148 -9.63555 -34.0038 -9.63626 30.4471 GPRESSURE: 3525400 -225.253 -29.2207 7.49057 -47.7799 -155.745 43.8336 -25.1068 13.6101 63.5673 PRESSAVG: 3525400 -96.2839 3.49466 -15.773 3.49459 62.3408 29.3098 -15.773 29.3097 -18.1839 GPRESSAVG: 3525400 -97.1702 1.39985 -17.3182 4.38075 62.8614 31.1383 -16.0407 29.4759 -16.9797 TIMING: 3525400 CPU: 11140.1, 0.00316786/step Wall: 11140.1, 0.00316786/step, 1.29759 hours remaining, 236.664062 MB of memory in use. ENERGY: 3525400 3928.8367 20467.9249 14462.9844 212.3746 -202867.2497 2322.0837 0.0000 0.0000 52014.6032 -109458.4421 298.9286 -161473.0454 -109083.5292 298.6488 -139.5518 -105.8102 761290.8143 -17.3757 -17.0962 PRESSURE: 3525600 162.612 39.5025 178.748 39.503 497.671 70.9368 178.749 70.9366 453.745 GPRESSURE: 3525600 197.943 -33.5825 262.023 34.8416 487.974 97.0121 12.7088 143.793 500.116 PRESSAVG: 3525600 -71.7732 -29.1107 11.9874 -29.1107 69.0187 -60.0098 11.9874 -60.0099 -9.98046 GPRESSAVG: 3525600 -70.291 -25.9182 13.6919 -31.0223 68.156 -61.5819 11.4791 -58.5872 -9.86732 TIMING: 3525600 CPU: 11140.8, 0.00315603/step Wall: 11140.8, 0.00315603/step, 1.29257 hours remaining, 236.664062 MB of memory in use. ENERGY: 3525600 3873.8771 20552.6693 14464.3467 258.7846 -203903.6757 3171.4556 0.0000 0.0000 52361.0065 -109221.5359 300.9194 -161582.5424 -108857.9360 299.2898 371.3427 395.3442 760859.4698 -4.2450 -4.0008 PRESSURE: 3525800 -264.069 -157.489 -74.3759 -157.488 33.0871 -212.898 -74.3749 -212.897 -247.969 GPRESSURE: 3525800 -181.281 -20.3989 -23.7632 -114.626 44.2118 -204.7 -2.03966 -251.534 -248.317 PRESSAVG: 3525800 -56.6324 -75.905 33.9744 -75.905 62.3492 -38.8675 33.9744 -38.8673 -5.51864 GPRESSAVG: 3525800 -56.1262 -76.5259 33.6019 -73.9828 61.8952 -38.2315 33.3445 -38.3744 -5.96587 TIMING: 3525800 CPU: 11141.4, 0.00317961/step Wall: 11141.4, 0.00317961/step, 1.30205 hours remaining, 236.664062 MB of memory in use. ENERGY: 3525800 3976.8107 20651.8764 14389.9825 234.1677 -202782.3996 2167.5874 0.0000 0.0000 52190.0225 -109171.9523 299.9368 -161361.9748 -108819.6562 299.6491 -159.6506 -128.4619 763639.3162 0.0660 -0.0656 PRESSURE: 3526000 174.354 148.842 41.5588 148.843 -344.863 23.0512 41.5583 23.0517 -437.515 GPRESSURE: 3526000 84.2559 246.646 44.668 179.206 -165.286 -2.61821 28.1386 -38.8286 -432.322 PRESSAVG: 3526000 -19.8614 -17.2096 66.3002 -17.2096 31.3868 -10.8553 66.3003 -10.8553 5.8712 GPRESSAVG: 3526000 -21.4575 -18.1287 65.1927 -17.6934 33.0234 -11.1953 68.9525 -12.2785 5.86576 TIMING: 3526000 CPU: 11142, 0.00317867/step Wall: 11142, 0.00317867/step, 1.30149 hours remaining, 236.664062 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: 3526000 3960.8769 20610.8681 14456.3350 274.5482 -202926.5267 2431.0427 0.0000 0.0000 51926.7100 -109266.1458 298.4235 -161192.8558 -108911.7736 299.4500 -202.6744 -171.1175 760824.7017 5.7989 5.8106 PRESSURE: 3526200 -161.52 -75.234 198.214 -75.2332 105.545 65.4801 198.214 65.4797 -417.999 GPRESSURE: 3526200 -68.13 -93.7695 213.494 -166.132 67.1351 4.30915 158.006 -55.386 -401.207 PRESSAVG: 3526200 -15.1957 -29.2319 10.1134 -29.2319 40.8486 15.1254 10.1134 15.1254 -9.30221 GPRESSAVG: 3526200 -14.2497 -28.6239 10.6816 -31.2931 39.6605 14.8631 9.38124 13.7349 -9.78273 TIMING: 3526200 CPU: 11142.7, 0.0031777/step Wall: 11142.7, 0.0031777/step, 1.30092 hours remaining, 236.664062 MB of memory in use. ENERGY: 3526200 4004.6275 20469.4082 14446.7583 269.6873 -203016.8096 2499.4584 0.0000 0.0000 52125.0083 -109201.8615 299.5631 -161326.8698 -108836.2320 299.3232 -157.9915 -134.0671 761414.0296 5.4502 5.2094 PRESSURE: 3526400 35.3668 -11.8676 -30.9542 -11.868 -578.893 -24.3548 -30.9547 -24.3535 -407.901 GPRESSURE: 3526400 -2.686 -46.7498 -21.5576 7.924 -497.3 -8.90081 -34.4945 103.098 -354.543 PRESSAVG: 3526400 -18.1942 29.032 12.4697 29.0319 54.703 -12.0621 12.4696 -12.0621 -7.68522 GPRESSAVG: 3526400 -18.9111 28.1258 12.2839 30.802 56.1437 -12.3687 12.8274 -11.2611 -8.52607 TIMING: 3526400 CPU: 11143.3, 0.00320298/step Wall: 11143.3, 0.00320298/step, 1.31109 hours remaining, 236.664062 MB of memory in use. ENERGY: 3526400 3980.3986 20544.9916 14439.3351 270.2376 -202942.0435 2396.8101 0.0000 0.0000 52173.3640 -109136.9066 299.8410 -161310.2706 -108767.9395 299.6449 -317.1424 -284.8431 760829.2895 9.6079 9.5689 PRESSURE: 3526600 -281.237 -97.2004 289.611 -97.2002 142.967 -28.7782 289.611 -28.7778 213.454 GPRESSURE: 3526600 -155.19 -20.14 232.314 -50.7256 130.107 -101.008 171.056 20.3058 184.312 PRESSAVG: 3526600 38.2216 -7.95638 10.6704 -7.95641 -18.9356 -58.6651 10.6704 -58.6651 -5.79158 GPRESSAVG: 3526600 38.2661 -8.90703 11.3907 -6.73961 -19.8658 -56.5314 9.09907 -59.9178 -5.00509 TIMING: 3526600 CPU: 11144, 0.00318348/step Wall: 11144, 0.00318348/step, 1.30293 hours remaining, 236.664062 MB of memory in use. ENERGY: 3526600 4019.0403 20675.0641 14373.8636 245.1488 -203327.8115 2603.2317 0.0000 0.0000 52269.9547 -109141.5083 300.3961 -161411.4631 -108782.3872 299.8296 25.0611 53.0765 761476.2709 4.4981 4.4651 PRESSURE: 3526800 241.876 141.004 85.7824 141.005 -323.843 -130.274 85.7823 -130.274 -117.948 GPRESSURE: 3526800 265.618 224.752 85.9712 99.0511 -299.124 -148.088 202.432 -59.0783 -72.7096 PRESSAVG: 3526800 -25.9978 -32.0158 69.1616 -32.0158 5.44614 12.5638 69.1616 12.5637 -8.89816 GPRESSAVG: 3526800 -25.2712 -32.056 67.2385 -33.0022 5.60562 11.163 71.1165 12.1053 -9.34293 TIMING: 3526800 CPU: 11144.6, 0.00316037/step Wall: 11144.6, 0.00316037/step, 1.29329 hours remaining, 236.664062 MB of memory in use. ENERGY: 3526800 4027.5557 20675.5652 14421.2429 242.7820 -203291.8271 2665.4964 0.0000 0.0000 52023.9289 -109235.2561 298.9822 -161259.1850 -108873.7871 300.0277 -66.6384 -35.4053 760908.0126 -9.8166 -9.6695 PRESSURE: 3527000 222.951 -50.2542 27.7693 -50.2552 428.647 -342.239 27.7689 -342.238 -75.6928 GPRESSURE: 3527000 251.411 67.8668 57.1077 -94.2396 392.354 -408.538 47.0042 -423.745 -5.86141 PRESSAVG: 3527000 7.91837 2.76444 -19.4607 2.76439 24.6874 -16.6187 -19.4608 -16.6188 4.56729 GPRESSAVG: 3527000 6.45053 4.33462 -20.1106 0.943543 23.7895 -17.442 -17.1766 -14.4995 6.60161 TIMING: 3527000 CPU: 11145.2, 0.00316077/step Wall: 11145.2, 0.00316077/step, 1.29328 hours remaining, 236.664062 MB of memory in use. ENERGY: 3527000 4055.1333 20547.7378 14438.4295 249.1638 -203670.3055 2636.0961 0.0000 0.0000 52182.3551 -109561.3898 299.8927 -161743.7450 -109197.4437 299.4420 191.9685 212.6346 759604.0665 12.3910 12.2806 PRESSURE: 3527200 -36.9389 -198.483 33.9088 -198.484 -28.8832 171.54 33.9087 171.539 198.111 GPRESSURE: 3527200 27.9662 -112.3 -46.3729 -253.538 -34.6105 141.02 175.15 153.954 225.796 PRESSAVG: 3527200 -9.79409 -32.9259 70.4965 -32.9259 9.59803 -13.7154 70.4966 -13.7154 11.6035 GPRESSAVG: 3527200 -9.19213 -33.8284 70.0859 -31.5532 10.9552 -12.8627 69.5387 -15.9328 9.87912 TIMING: 3527200 CPU: 11145.9, 0.0031505/step Wall: 11145.9, 0.0031505/step, 1.28891 hours remaining, 236.664062 MB of memory in use. ENERGY: 3527200 3991.0313 20556.5813 14531.8809 243.2103 -203631.9110 2787.5208 0.0000 0.0000 51893.8491 -109627.8371 298.2347 -161521.6862 -109254.2304 299.2102 44.0964 73.0506 760255.2037 3.8025 3.8807 PRESSURE: 3527400 -526.968 41.4732 68.4594 41.4729 -294.866 -10.9513 68.459 -10.9507 -366.073 GPRESSURE: 3527400 -557.185 115.881 86.3624 35.9966 -287.667 -98.7304 140.804 16.0895 -269.71 PRESSAVG: 3527400 15.5685 -17.7816 53.0546 -17.7816 -14.9157 -47.5048 53.0546 -47.5048 17.3402 GPRESSAVG: 3527400 15.6092 -17.1569 54.5238 -17.9769 -15.7714 -48.1406 52.72 -45.7007 18.0708 TIMING: 3527400 CPU: 11146.5, 0.00316637/step Wall: 11146.5, 0.00316637/step, 1.29522 hours remaining, 236.664062 MB of memory in use. ENERGY: 3527400 3940.3824 20673.6648 14447.9254 269.0873 -203064.7594 2423.2413 0.0000 0.0000 51814.3370 -109496.1212 297.7777 -161310.4582 -109142.0437 299.0774 -395.9691 -371.5207 762171.7900 5.9977 5.9696 PRESSURE: 3527600 -62.7658 -121.386 133.689 -121.386 31.8723 177.02 133.688 177.019 46.3792 GPRESSURE: 3527600 -46.3786 -156.216 135.3 -119.57 44.6399 117.859 126.759 161.634 117.448 PRESSAVG: 3527600 -34.4731 5.73323 69.7359 5.73322 26.1113 -35.1337 69.7359 -35.1338 -6.62795 GPRESSAVG: 3527600 -34.2111 5.7545 69.8291 7.31865 25.7636 -35.9687 69.2752 -36.2263 -6.74916 TIMING: 3527600 CPU: 11147.1, 0.00316789/step Wall: 11147.1, 0.00316789/step, 1.29567 hours remaining, 236.664062 MB of memory in use. ENERGY: 3527600 4040.9798 20445.0521 14427.6394 235.5020 -203185.8530 2593.0561 0.0000 0.0000 52123.6999 -109319.9237 299.5556 -161443.6236 -108952.0780 299.3925 5.1619 38.5699 761717.6775 -4.9966 -5.0656 PRESSURE: 3527800 107.931 -16.6695 -86.5151 -16.6695 -419.409 130.87 -86.5153 130.87 39.5738 GPRESSURE: 3527800 -10.5736 -178.482 -32.3664 9.92984 -262.044 85.6032 -75.7533 111.901 63.7531 PRESSAVG: 3527800 -37.4407 -2.05552 35.4565 -2.05553 5.99307 -17.7164 35.4565 -17.7163 -8.92386 GPRESSAVG: 3527800 -37.8304 -3.42061 34.7095 -2.19278 6.93162 -17.0943 36.2708 -15.706 -9.36179 TIMING: 3527800 CPU: 11147.7, 0.00315957/step Wall: 11147.7, 0.00315957/step, 1.29209 hours remaining, 236.664062 MB of memory in use. ENERGY: 3527800 4016.7611 20657.9451 14413.0461 257.9052 -203371.3197 2636.1317 0.0000 0.0000 51908.6940 -109480.8365 298.3200 -161389.5305 -109126.5326 299.3261 -90.6348 -69.6215 763131.9606 -13.4572 -13.4202 PRESSURE: 3528000 -165.785 -48.3209 80.7816 -48.3204 -127.246 -1.88313 80.7807 -1.88228 -296.132 GPRESSURE: 3528000 -155.811 -92.9471 31.5791 -16.0667 -22.499 -17.8627 130.288 122.872 -330.926 PRESSAVG: 3528000 36.906 -16.9693 1.51431 -16.9693 -32.72 -36.8128 1.51427 -36.8127 -1.85797 GPRESSAVG: 3528000 36.2624 -15.5976 2.58058 -17.7857 -33.084 -36.7657 1.22686 -37.7078 -1.14195 TIMING: 3528000 CPU: 11148.4, 0.00317546/step Wall: 11148.4, 0.00317546/step, 1.29841 hours remaining, 236.664062 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: 3528000 4060.8379 20566.4433 14444.7808 254.4110 -203260.0323 2598.4989 0.0000 0.0000 52013.1244 -109321.9360 298.9201 -161335.0604 -108954.7208 299.5086 -196.3875 -169.7455 763981.5529 0.7760 0.6788 PRESSURE: 3528200 -224.972 -245.14 73.7286 -245.14 -69.4001 -108.992 73.7288 -108.991 -421.786 GPRESSURE: 3528200 -243.452 -110.909 144.386 -290.22 -5.02506 -161.59 -0.114729 -141.041 -351.888 PRESSAVG: 3528200 -41.5558 8.08143 17.1217 8.08139 22.0647 -37.9765 17.1217 -37.9765 -2.1398 GPRESSAVG: 3528200 -41.7392 7.17753 16.5809 8.66347 21.7955 -36.0905 17.6101 -37.5892 -1.78019 TIMING: 3528200 CPU: 11149, 0.00317308/step Wall: 11149, 0.00317308/step, 1.29726 hours remaining, 236.664062 MB of memory in use. ENERGY: 3528200 4079.1841 20371.4794 14530.5686 257.5691 -203570.7924 2607.9664 0.0000 0.0000 52242.4076 -109481.6173 300.2378 -161724.0249 -109114.9709 299.3431 -238.7194 -200.1215 762094.9467 -7.2103 -7.2413 LDB: ============= START OF LOAD BALANCING ============== 11161.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11161.6 LDB: =============== DONE WITH MIGRATION ================ 11161.6 LDB: ============= START OF LOAD BALANCING ============== 11161.9 LDB: Largest compute 7028 load 0.030677 is 15.7% of average load 0.195602 LDB: Average compute 0.004364 is 2.2% of average load 0.195602 LDB: TIME 11161.9 LOAD: AVG 0.195602 MAX 0.213965 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 11161.9 LOAD: AVG 0.195602 MAX 0.213965 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.691 MB LDB: TIME 11161.9 LOAD: AVG 0.195602 MAX 0.213965 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.691 MB LDB: ============== END OF LOAD BALANCING =============== 11161.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11161.9 PRESSURE: 3528400 -136.558 122.127 258.501 122.127 121.759 338.784 258.501 338.784 -78.9233 GPRESSURE: 3528400 -47.4413 -37.1602 230.391 123.825 105.816 411.678 211.203 244.992 -51.6292 PRESSAVG: 3528400 -5.19261 12.5517 2.8987 12.5517 12.5085 -10.4354 2.8987 -10.4355 -4.51199 GPRESSAVG: 3528400 -4.37929 10.337 3.07251 11.6313 12.1204 -11.9358 2.09684 -13.1606 -4.96229 TIMING: 3528400 CPU: 11149.7, 0.00321119/step Wall: 11149.7, 0.00321119/step, 1.31266 hours remaining, 235.394531 MB of memory in use. ENERGY: 3528400 3955.7319 20686.3643 14403.2093 233.3228 -203266.0223 2601.1764 0.0000 0.0000 51945.1945 -109441.0230 298.5297 -161386.2176 -109079.7245 299.1098 -31.2406 2.2484 761632.5710 0.9346 0.9263 PRESSURE: 3528600 59.4387 108.722 -177.142 108.722 418.978 56.6494 -177.141 56.6497 414.203 GPRESSURE: 3528600 100.686 79.6026 -123.086 60.1188 383.212 113.672 -182.682 117.564 491.923 PRESSAVG: 3528600 3.3952 10.6604 -7.83656 10.6604 51.9988 -10.4029 -7.83651 -10.4029 6.2478 GPRESSAVG: 3528600 3.92949 12.1875 -7.48663 11.937 53.0381 -11.0298 -7.75486 -7.67488 5.28299 TIMING: 3528600 CPU: 11150.3, 0.00314762/step Wall: 11150.3, 0.00314763/step, 1.2865 hours remaining, 235.394531 MB of memory in use. ENERGY: 3528600 4079.6472 20542.8081 14460.1871 254.7185 -203675.1593 2642.9282 0.0000 0.0000 52226.7694 -109468.1009 300.1480 -161694.8703 -109109.0685 299.8642 297.5401 325.2738 759811.6033 20.5473 20.7502 PRESSURE: 3528800 181.776 -233.156 -347.294 -233.156 230.585 32.5048 -347.293 32.5055 -135.977 GPRESSURE: 3528800 225.107 -35.7146 -347.823 -172.064 321.79 51.5747 -356.117 58.2602 -185.532 PRESSAVG: 3528800 -9.9914 16.8186 -42.5806 16.8186 38.2707 -0.801872 -42.5805 -0.801802 -10.314 GPRESSAVG: 3528800 -9.6179 19.4383 -43.82 16.572 37.4099 -1.07706 -42.9121 -1.33094 -10.005 TIMING: 3528800 CPU: 11150.9, 0.00315173/step Wall: 11150.9, 0.00315173/step, 1.28801 hours remaining, 235.652344 MB of memory in use. ENERGY: 3528800 4023.8267 20519.8590 14458.2517 256.8055 -203341.0922 2506.4445 0.0000 0.0000 52108.9384 -109466.9665 299.4708 -161575.9048 -109101.7443 299.6128 92.1277 120.4550 759764.9377 5.9885 5.9290 PRESSURE: 3529000 -220.738 65.1338 79.2292 65.1334 -128.257 -113.099 79.2286 -113.099 58.1459 GPRESSURE: 3529000 -195.072 15.5005 116.334 21.4828 -57.4455 -152.098 52.7825 -32.3307 48.4278 PRESSAVG: 3529000 -28.1884 46.8919 34.8182 46.8919 30.0409 -64.4663 34.8182 -64.4663 -11.0272 GPRESSAVG: 3529000 -28.9649 46.4958 33.4687 43.7989 29.7074 -63.3351 34.5178 -63.2878 -10.6737 TIMING: 3529000 CPU: 11151.6, 0.00315178/step Wall: 11151.6, 0.00315178/step, 1.28785 hours remaining, 235.652344 MB of memory in use. ENERGY: 3529000 3982.9699 20537.7854 14530.7788 256.0604 -203742.8404 2654.4218 0.0000 0.0000 51899.4866 -109881.3375 298.2671 -161780.8242 -109518.1700 299.3692 -96.9498 -68.0299 760878.4520 -3.0582 -3.3104 PRESSURE: 3529200 -243.985 -30.5655 18.9188 -30.5659 147.313 3.57409 18.9189 3.5747 -242.648 GPRESSURE: 3529200 -176.997 -15.7909 -96.101 -28.7294 105.258 -64.2019 -117.935 -8.06317 -191.83 PRESSAVG: 3529200 -5.92586 20.686 -32.2869 20.6861 36.6188 0.840431 -32.2869 0.840481 -7.83835 GPRESSAVG: 3529200 -4.52337 19.4239 -30.9723 21.9374 35.6823 -1.06957 -32.3902 -0.975701 -8.16118 TIMING: 3529200 CPU: 11152.2, 0.00316129/step Wall: 11152.2, 0.00316129/step, 1.29156 hours remaining, 235.652344 MB of memory in use. ENERGY: 3529200 3979.1437 20544.2212 14396.3988 242.9096 -203669.2201 2549.8301 0.0000 0.0000 52145.7701 -109810.9466 299.6825 -161956.7167 -109440.1385 298.7494 -113.1066 -87.8563 761319.7055 7.6182 7.6659 PRESSURE: 3529400 -99.3941 -123.772 126.498 -123.772 165.42 12.4994 126.5 12.4974 -292.59 GPRESSURE: 3529400 -172.799 -46.8131 137.402 -79.8328 237.15 -49.8929 -1.20409 -71.3203 -220.122 PRESSAVG: 3529400 -36.9666 39.8379 -5.05284 39.8379 20.4938 15.1997 -5.05285 15.1997 15.915 GPRESSAVG: 3529400 -38.1973 39.6084 -5.93186 41.4747 22.0294 14.8161 -4.3246 17.241 15.5973 TIMING: 3529400 CPU: 11152.8, 0.00316437/step Wall: 11152.8, 0.00316438/step, 1.29265 hours remaining, 235.652344 MB of memory in use. ENERGY: 3529400 4017.0593 20401.9123 14455.8132 252.3221 -203557.1591 2551.6757 0.0000 0.0000 51983.8131 -109894.5634 298.7517 -161878.3765 -109526.5929 298.6007 -75.5214 -51.9241 761619.1268 -0.1859 -0.1902 PRESSURE: 3529600 65.1423 -39.7258 126.994 -39.7263 -101.754 -21.2594 126.995 -21.2595 108.267 GPRESSURE: 3529600 143.792 -100.184 35.3778 23.8062 -80.0718 1.43942 96.5185 27.799 104.013 PRESSAVG: 3529600 -72.4977 -0.745811 -59.6281 -0.745809 60.9933 42.6139 -59.6281 42.6139 -6.08287 GPRESSAVG: 3529600 -72.0796 1.15064 -59.3258 -2.6056 59.7735 43.8935 -60.0518 41.8106 -4.99332 TIMING: 3529600 CPU: 11153.5, 0.00317184/step Wall: 11153.5, 0.00317184/step, 1.29552 hours remaining, 235.652344 MB of memory in use. ENERGY: 3529600 4055.7891 20506.5681 14437.8151 270.2943 -203820.4037 2684.0521 0.0000 0.0000 51761.1639 -110104.7210 297.4721 -161865.8850 -109746.0021 297.7650 23.8850 55.9112 760591.0843 -5.8624 -5.7665 PRESSURE: 3529800 -53.721 212.165 -80.2049 212.165 7.87609 165.45 -80.2047 165.45 182.566 GPRESSURE: 3529800 -54.8278 173.108 -110.905 64.8946 82.6854 156.421 -18.3328 85.1269 188.402 PRESSAVG: 3529800 -44.6403 47.0747 12.5141 47.0747 37.8516 24.8711 12.514 24.8711 -12.8322 GPRESSAVG: 3529800 -44.2883 43.5574 12.0645 47.4616 37.6708 26.2352 14.3186 23.5345 -12.9391 TIMING: 3529800 CPU: 11154.1, 0.00315442/step Wall: 11154.1, 0.00315442/step, 1.28823 hours remaining, 235.652344 MB of memory in use. ENERGY: 3529800 3994.0686 20451.7146 14427.7126 231.7978 -203922.9368 2857.0244 0.0000 0.0000 51986.2310 -109974.3878 298.7656 -161960.6189 -109603.9750 298.3246 45.5736 72.0865 761169.7594 -6.5403 -6.5189 PRESSURE: 3530000 -378.937 -244.116 35.1077 -244.116 -76.5152 -10.0053 35.1084 -10.0058 -239.955 GPRESSURE: 3530000 -319.957 -182.783 108.276 -292.039 -56.5902 -91.5388 61.6141 5.82976 -257.112 PRESSAVG: 3530000 -33.1361 -18.7707 21.1607 -18.7708 28.1156 -25.5649 21.1607 -25.5648 2.54532 GPRESSAVG: 3530000 -33.8666 -17.8534 22.7077 -17.5046 29.0221 -27.0645 19.0125 -24.4037 2.73552 TIMING: 3530000 CPU: 11154.7, 0.00316477/step Wall: 11154.7, 0.00316477/step, 1.29228 hours remaining, 235.652344 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: 3530000 3982.4372 20373.9553 14470.3456 245.4417 -203519.6402 2616.8301 0.0000 0.0000 51982.1671 -109848.4633 298.7422 -161830.6303 -109493.1354 298.2378 -231.8025 -211.2199 761656.7950 -0.8250 -0.7030 PRESSURE: 3530200 49.483 -145.852 53.2107 -145.852 283.424 -40.3321 53.2099 -40.3324 10.9199 GPRESSURE: 3530200 42.7101 -185.082 31.0499 -111.552 254.748 54.617 -38.4125 -48.6276 136.175 PRESSAVG: 3530200 -45.9826 -27.5621 -6.0615 -27.5621 5.02589 6.9418 -6.06154 6.94179 2.78899 GPRESSAVG: 3530200 -46.4161 -27.0728 -5.85425 -27.2527 4.89422 8.31661 -6.08869 6.14541 3.02365 TIMING: 3530200 CPU: 11155.3, 0.00316387/step Wall: 11155.3, 0.00316387/step, 1.29174 hours remaining, 235.652344 MB of memory in use. ENERGY: 3530200 3992.6987 20559.7010 14446.8297 246.7153 -203528.5905 2783.6113 0.0000 0.0000 51654.4227 -109844.6118 296.8587 -161499.0345 -109494.5580 297.8527 114.6091 144.5446 761379.3086 -12.7226 -12.8327 PRESSURE: 3530400 188.985 82.952 133.763 82.9523 335.708 -38.1082 133.763 -38.1088 345.865 GPRESSURE: 3530400 289.261 111.084 19.4011 -30.5035 401.242 -44.005 137.077 52.5578 284.375 PRESSAVG: 3530400 25.7998 23.1709 9.46736 23.1709 2.20243 -15.7005 9.46737 -15.7005 -2.82953 GPRESSAVG: 3530400 25.3228 22.6838 8.47917 22.169 3.06324 -16.1282 10.9143 -13.573 -3.04981 TIMING: 3530400 CPU: 11156, 0.00314768/step Wall: 11156, 0.00314768/step, 1.28495 hours remaining, 235.652344 MB of memory in use. ENERGY: 3530400 4049.7176 20327.7015 14467.8414 236.4742 -203435.4408 2644.0337 0.0000 0.0000 51713.4144 -109996.2580 297.1977 -161709.6724 -109627.2323 298.6803 290.1862 324.9595 760254.7829 8.3909 8.4454 PRESSURE: 3530600 -204.056 -140.952 61.0736 -140.951 -33.2527 -25.4579 61.0739 -25.4576 27.888 GPRESSURE: 3530600 -180.885 -90.8559 98.7758 -58.6636 -22.7108 -0.129997 92.3704 3.96389 72.5545 PRESSAVG: 3530600 -60.9478 -19.7875 -15.9366 -19.7875 48.0467 -24.1405 -15.9366 -24.1405 9.20452 GPRESSAVG: 3530600 -59.7329 -19.7411 -16.1671 -18.4316 47.355 -22.3871 -15.6698 -26.122 9.03856 TIMING: 3530600 CPU: 11156.6, 0.00315921/step Wall: 11156.6, 0.00315921/step, 1.28948 hours remaining, 235.652344 MB of memory in use. ENERGY: 3530600 4030.3640 20380.1910 14433.3185 245.9592 -204011.9725 3008.3526 0.0000 0.0000 52000.0708 -109913.7162 298.8451 -161913.7871 -109543.0234 298.4069 -69.8071 -43.6804 760962.0004 -1.2322 -1.1131 PRESSURE: 3530800 -705.382 105.139 -337.597 105.139 -457.711 -230.891 -337.597 -230.892 -26.9713 GPRESSURE: 3530800 -668.685 103.693 -293.312 86.5108 -426.743 -209.093 -201.991 -92.7677 -31.5857 PRESSAVG: 3530800 -15.9471 -3.61021 20.6091 -3.61014 50.175 1.05699 20.6091 1.05706 3.85106 GPRESSAVG: 3530800 -15.4233 -4.15576 21.9493 -4.67093 50.331 -1.57834 19.4747 0.866142 3.2981 TIMING: 3530800 CPU: 11157.2, 0.00313908/step Wall: 11157.2, 0.00313908/step, 1.28109 hours remaining, 235.652344 MB of memory in use. ENERGY: 3530800 4089.3064 20522.2059 14482.4085 245.2494 -203172.9344 2203.3547 0.0000 0.0000 51784.7394 -109845.6700 297.6076 -161630.4094 -109489.7959 298.3416 -396.6881 -375.6712 760535.0956 12.6930 12.7353 PRESSURE: 3531000 -341.767 -2.96744 -87.0721 -2.9677 -248.459 -320.485 -87.0715 -320.485 -257.124 GPRESSURE: 3531000 -207.075 -6.20491 -120.352 -32.1607 -294.485 -232.457 33.3848 -270.152 -234.222 PRESSAVG: 3531000 28.685 2.09982 -10.957 2.09979 -8.23081 -9.70257 -10.9569 -9.70249 -18.8461 GPRESSAVG: 3531000 28.7537 3.12333 -12.0416 2.05287 -8.40953 -10.0139 -8.74778 -10.5826 -18.6329 TIMING: 3531000 CPU: 11157.9, 0.00317358/step Wall: 11157.9, 0.00317358/step, 1.295 hours remaining, 235.652344 MB of memory in use. ENERGY: 3531000 3968.3978 20421.4499 14417.3066 259.9503 -203290.1646 2319.9134 0.0000 0.0000 52100.8443 -109802.3024 299.4243 -161903.1467 -109444.2592 298.6855 -282.4503 -245.2604 761640.6704 0.5360 0.5704 PRESSURE: 3531200 -62.2928 80.5484 -147.166 80.5479 -25.2516 -169.17 -147.166 -169.169 -91.7031 GPRESSURE: 3531200 22.5726 -4.76314 -194.233 5.10486 -30.7248 -132.629 -145.73 -164.122 -80.7152 PRESSAVG: 3531200 -9.77007 -65.0109 8.53536 -65.0109 26.8427 31.107 8.53529 31.107 3.96366 GPRESSAVG: 3531200 -9.75832 -66.5902 7.8326 -64.2443 26.2572 31.348 9.70946 32.6806 3.97057 TIMING: 3531200 CPU: 11158.5, 0.00320319/step Wall: 11158.5, 0.00320319/step, 1.3069 hours remaining, 235.652344 MB of memory in use. ENERGY: 3531200 3991.5846 20337.0172 14376.0080 255.3467 -203394.9432 2580.9751 0.0000 0.0000 51946.8236 -109907.1881 298.5391 -161854.0116 -109539.4297 298.1760 -59.7491 -29.6225 760655.0764 7.0121 6.8232 PRESSURE: 3531400 -24.8324 -129.03 -235.884 -129.031 93.0336 261.54 -235.886 261.538 -342.782 GPRESSURE: 3531400 -63.487 -37.8199 -241.281 -179.259 206.094 216.865 -238.608 149.956 -337.922 PRESSAVG: 3531400 -33.3326 -26.5907 -19.1738 -26.5906 28.4813 24.5992 -19.1738 24.5992 11.9059 GPRESSAVG: 3531400 -34.4111 -24.999 -17.4252 -28.0367 29.3897 25.1425 -22.561 25.3293 12.0774 TIMING: 3531400 CPU: 11159.1, 0.00316973/step Wall: 11159.1, 0.00316973/step, 1.29307 hours remaining, 235.652344 MB of memory in use. ENERGY: 3531400 4027.1220 20539.1354 14372.8775 232.1594 -203570.4048 2515.8929 0.0000 0.0000 52039.6432 -109843.5743 299.0725 -161883.2176 -109480.1135 297.9150 -91.5268 -65.1052 760427.1375 2.3515 2.3520 PRESSURE: 3531600 61.844 -276.615 -35.3507 -276.615 -39.9811 -19.6955 -35.3507 -19.6962 -53.5528 GPRESSURE: 3531600 98.0095 -295.732 45.9778 -164.852 -10.9758 18.1846 -44.5175 -0.958037 -45.6921 PRESSAVG: 3531600 23.4664 1.54775 12.2973 1.54779 -34.5383 35.5905 12.2973 35.5906 -5.24687 GPRESSAVG: 3531600 23.7095 -1.68629 11.7888 2.80564 -35.6073 36.2381 11.8041 35.1811 -4.12732 TIMING: 3531600 CPU: 11159.8, 0.00317317/step Wall: 11159.8, 0.00317316/step, 1.2943 hours remaining, 235.652344 MB of memory in use. ENERGY: 3531600 3906.1510 20375.4125 14496.4331 256.1412 -203437.1456 2478.7355 0.0000 0.0000 51898.2910 -110025.9813 298.2602 -161924.2723 -109659.5244 297.8860 -10.5633 13.7806 760058.3194 -5.4396 -5.3417 PRESSURE: 3531800 212.037 -32.0785 -168.498 -32.0794 -114.888 95.0281 -168.499 95.027 -157.822 GPRESSURE: 3531800 216.553 -95.9798 -164.026 -40.108 -102.938 187.695 -133.052 151.782 -98.8118 PRESSAVG: 3531800 19.2822 -34.5584 5.32365 -34.5584 -34.8538 43.256 5.32372 43.2561 -19.9384 GPRESSAVG: 3531800 19.5071 -32.3761 4.7327 -36.7136 -35.3655 43.6166 7.95708 42.5536 -19.6472 TIMING: 3531800 CPU: 11160.4, 0.00316524/step Wall: 11160.4, 0.00316524/step, 1.29089 hours remaining, 235.652344 MB of memory in use. ENERGY: 3531800 4036.2595 20296.8889 14416.1446 224.5156 -203240.1144 2550.0003 0.0000 0.0000 51735.5720 -109980.7335 297.3250 -161716.3055 -109621.7704 297.8980 -20.2243 4.9345 762429.4086 -11.8367 -11.8352 PRESSURE: 3532000 -16.9906 -197.633 -1.25663 -197.634 -331.614 30.6242 -1.25605 30.6224 -54.8731 GPRESSURE: 3532000 -46.821 -148.599 -66.5544 -205.248 -163.171 43.9341 -22.8904 102.459 -102.76 PRESSAVG: 3532000 -41.5006 -42.0311 -3.68283 -42.0311 -6.2597 63.2568 -3.68282 63.2568 24.632 GPRESSAVG: 3532000 -41.4133 -39.9861 -2.03939 -43.2784 -5.46849 61.9146 -5.27371 64.0344 24.0496 TIMING: 3532000 CPU: 11161, 0.00317977/step Wall: 11161, 0.00317977/step, 1.29664 hours remaining, 235.652344 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: 3532000 4074.0758 20363.3957 14439.9203 235.1171 -203411.7611 2556.7421 0.0000 0.0000 51814.8981 -109927.6120 297.7809 -161742.5101 -109581.8156 297.7568 -134.4925 -104.2508 761683.1168 -7.7094 -7.6107 PRESSURE: 3532200 -334.285 -134.42 156.017 -134.421 -173.667 -274.059 156.017 -274.06 77.5478 GPRESSURE: 3532200 -331.3 -44.4599 137.167 -103.243 -141.104 -224.745 107.04 -258.195 136.255 PRESSAVG: 3532200 -26.9938 -29.1062 -21.9391 -29.1062 -15.6254 20.6351 -21.9391 20.6351 -10.7527 GPRESSAVG: 3532200 -27.2796 -30.6444 -23.7197 -27.3779 -14.9579 19.7659 -22.1904 20.7516 -10.4992 TIMING: 3532200 CPU: 11161.7, 0.0031569/step Wall: 11161.7, 0.0031569/step, 1.28714 hours remaining, 235.652344 MB of memory in use. ENERGY: 3532200 4041.8144 20264.0943 14417.4957 250.0458 -203165.5662 2473.9685 0.0000 0.0000 51993.4120 -109724.7355 298.8069 -161718.1475 -109355.6077 298.2992 -143.4679 -112.0496 762143.3825 -17.7906 -17.5789 LDB: ============= START OF LOAD BALANCING ============== 11174.2 LDB: ============== END OF LOAD BALANCING =============== 11174.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11174.2 LDB: ============= START OF LOAD BALANCING ============== 11174.5 LDB: Largest compute 7030 load 0.030598 is 15.6% of average load 0.195528 LDB: Average compute 0.004359 is 2.2% of average load 0.195528 LDB: TIME 11174.5 LOAD: AVG 0.195528 MAX 0.213011 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.617 MB LDB: TIME 11174.5 LOAD: AVG 0.195528 MAX 0.213011 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.645 MB LDB: TIME 11174.5 LOAD: AVG 0.195528 MAX 0.213011 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.645 MB LDB: ============== END OF LOAD BALANCING =============== 11174.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11174.6 PRESSURE: 3532400 67.1595 80.6925 24.9113 80.693 183.04 -54.5434 24.9114 -54.5435 452.047 GPRESSURE: 3532400 96.4183 -48.6632 -23.8932 -4.84685 190.591 -13.6252 59.3713 -42.019 478.005 PRESSAVG: 3532400 -31.8855 -19.9609 -20.1971 -19.9609 54.9947 -35.5568 -20.1972 -35.5568 3.73588 GPRESSAVG: 3532400 -30.6033 -21.3359 -18.7022 -20.4741 53.6324 -33.4708 -21.2812 -33.2052 3.87152 TIMING: 3532400 CPU: 11162.3, 0.00327082/step Wall: 11162.3, 0.00327082/step, 1.3334 hours remaining, 236.152344 MB of memory in use. ENERGY: 3532400 4008.8309 20423.4471 14458.7667 233.8671 -203299.5658 2621.8727 0.0000 0.0000 51774.5525 -109778.2289 297.5491 -161552.7813 -109408.9020 298.1809 234.0823 255.0047 762306.7030 8.9484 8.9669 PRESSURE: 3532600 -150.868 -25.8234 -230.837 -25.8232 -95.6707 4.06159 -230.837 4.05931 14.3755 GPRESSURE: 3532600 -95.1398 -94.395 -227.147 35.6006 -129.326 144.815 -167.642 -48.5602 44.9395 PRESSAVG: 3532600 -56.9889 -23.3958 -63.0922 -23.3958 82.0371 -37.8831 -63.0922 -37.8831 6.84764 GPRESSAVG: 3532600 -57.9906 -22.3082 -65.3272 -20.1344 82.5632 -37.5226 -60.556 -40.0946 6.69742 TIMING: 3532600 CPU: 11163, 0.00318981/step Wall: 11163, 0.00318981/step, 1.3002 hours remaining, 236.152344 MB of memory in use. ENERGY: 3532600 4075.7275 20369.3010 14462.6129 266.1467 -203229.8593 2667.0764 0.0000 0.0000 51712.6002 -109676.3947 297.1930 -161388.9949 -109310.4553 298.1159 -77.3876 -59.8419 762518.5556 10.6319 10.4234 PRESSURE: 3532800 -110.965 -129.458 -178.451 -129.459 -250.448 -16.879 -178.452 -16.8793 270.324 GPRESSURE: 3532800 -136.029 -241.673 -264.978 -101.981 -176.703 44.6008 -171.642 -77.1966 298.292 PRESSAVG: 3532800 -22.0186 12.3273 -48.8905 12.3273 2.38918 -32.129 -48.8905 -32.129 -1.37583 GPRESSAVG: 3532800 -21.1113 10.4066 -48.6364 9.25857 2.73613 -34.0861 -49.5533 -34.0384 -2.34399 TIMING: 3532800 CPU: 11163.6, 0.00317205/step Wall: 11163.6, 0.00317205/step, 1.29279 hours remaining, 236.152344 MB of memory in use. ENERGY: 3532800 3956.2279 20442.9340 14473.6415 244.4950 -203024.6350 2533.6096 0.0000 0.0000 51787.5054 -109586.2216 297.6235 -161373.7270 -109233.8401 298.0886 -30.3631 -4.8134 762312.6767 -7.0017 -6.9064 PRESSURE: 3533000 -57.6773 -84.2156 -111.492 -84.2145 207.575 197.321 -111.492 197.321 427.718 GPRESSURE: 3533000 57.0036 -114.995 -73.018 -122.219 227.367 135.56 -123.779 139.205 378.969 PRESSAVG: 3533000 -22.8039 -42.0109 -46.3099 -42.0108 14.6222 56.7483 -46.3099 56.7483 10.6771 GPRESSAVG: 3533000 -22.3509 -41.1477 -44.5604 -39.4802 15.1465 56.2673 -45.9676 57.9702 10.2113 TIMING: 3533000 CPU: 11164.2, 0.00315358/step Wall: 11164.2, 0.00315358/step, 1.28509 hours remaining, 236.152344 MB of memory in use. ENERGY: 3533000 3927.3561 20664.4226 14433.4816 254.5847 -203409.9320 2697.0137 0.0000 0.0000 51979.0390 -109454.0342 298.7243 -161433.0732 -109100.6992 298.3655 192.5383 221.1133 761308.1701 0.8318 1.0023 PRESSURE: 3533200 57.4788 257.945 -115.675 257.945 -90.8675 -32.1338 -115.675 -32.1344 127.474 GPRESSURE: 3533200 56.4633 178.749 -113.702 187.942 -69.2892 75.8125 -66.1112 29.3273 174.602 PRESSAVG: 3533200 -36.2684 -39.3394 -18.4513 -39.3393 65.5589 16.4332 -18.4513 16.4332 -9.10594 GPRESSAVG: 3533200 -37.6165 -38.1878 -18.5958 -41.7336 64.8155 17.0255 -18.5367 19.1575 -7.03233 TIMING: 3533200 CPU: 11164.9, 0.0031566/step Wall: 11164.9, 0.0031566/step, 1.28614 hours remaining, 236.152344 MB of memory in use. ENERGY: 3533200 3927.0222 20461.9055 14455.4920 259.8904 -203575.2925 2798.8898 0.0000 0.0000 52041.4896 -109630.6031 299.0832 -161672.0927 -109264.8268 298.5022 31.3617 53.9253 761299.3607 6.7282 6.7222 PRESSURE: 3533400 253.711 143.117 141.098 143.117 142.8 -42.333 141.098 -42.3325 142.002 GPRESSURE: 3533400 266.388 174.334 186.163 -63.1655 201.793 -57.5829 112.482 -0.984185 168.838 PRESSAVG: 3533400 -48.9263 62.3246 14.5504 62.3246 73.2977 3.94066 14.5504 3.9407 27.5208 GPRESSAVG: 3533400 -47.9716 61.8992 15.1693 61.7754 73.2311 3.66494 13.628 2.46604 27.5638 TIMING: 3533400 CPU: 11165.5, 0.00317067/step Wall: 11165.5, 0.00317067/step, 1.2917 hours remaining, 236.152344 MB of memory in use. ENERGY: 3533400 3891.0326 20531.0091 14423.4169 243.8336 -203120.8756 2673.3001 0.0000 0.0000 51793.9429 -109564.3403 297.6605 -161358.2833 -109198.2101 298.2352 179.5045 212.3396 761882.4490 17.2974 17.6078 PRESSURE: 3533600 49.3842 -53.1718 118.656 -53.1727 -48.1642 78.2063 118.656 78.2054 -322.28 GPRESSURE: 3533600 16.9303 -21.1082 119.347 -66.4268 -10.1039 89.2595 213.252 -24.1985 -257.19 PRESSAVG: 3533600 22.2407 28.4774 -42.7539 28.4774 1.82349 -5.39134 -42.7539 -5.39127 0.939508 GPRESSAVG: 3533600 21.5939 27.6923 -42.6967 30.5387 3.05833 -5.14257 -43.0693 -7.69921 0.652177 TIMING: 3533600 CPU: 11166.1, 0.00317815/step Wall: 11166.1, 0.00317815/step, 1.29456 hours remaining, 236.152344 MB of memory in use. ENERGY: 3533600 3977.9600 20474.8068 14426.2186 248.5436 -203498.6989 2583.0704 0.0000 0.0000 52458.1233 -109329.9762 301.4776 -161788.0994 -108959.2154 298.5397 -107.0200 -83.4546 762162.5070 8.3346 8.4348 PRESSURE: 3533800 193.14 -105.378 95.8456 -105.378 -220.292 10.7308 95.846 10.7304 101.356 GPRESSURE: 3533800 179.008 -179.03 47.0556 -73.0108 -159.641 -29.4487 88.0132 4.39093 154.116 PRESSAVG: 3533800 -56.1992 13.7051 -18.7832 13.7051 38.5997 -9.446 -18.7832 -9.44603 -9.99605 GPRESSAVG: 3533800 -56.5165 13.4671 -18.6889 11.8614 38.586 -8.59026 -19.3634 -9.09064 -9.65625 TIMING: 3533800 CPU: 11166.8, 0.00316287/step Wall: 11166.8, 0.00316287/step, 1.28817 hours remaining, 236.152344 MB of memory in use. ENERGY: 3533800 3995.4934 20682.6329 14395.3831 238.2087 -203276.9178 2579.4547 0.0000 0.0000 52180.5163 -109205.2287 299.8821 -161385.7450 -108842.7815 300.1054 24.7347 57.8276 760994.5577 -9.1985 -9.1956 PRESSURE: 3534000 36.881 69.9557 -19.3941 69.9561 178.018 -110.15 -19.3953 -110.15 9.92751 GPRESSURE: 3534000 46.6677 209.067 -17.1661 213.381 246.339 -14.5012 -132.333 -162.398 12.1379 PRESSAVG: 3534000 -68.4945 20.28 -28.7018 20.28 50.1945 18.4258 -28.7019 18.4258 -12.2945 GPRESSAVG: 3534000 -68.7167 20.3743 -29.5948 20.7243 49.5989 16.9773 -28.509 18.0334 -11.9265 TIMING: 3534000 CPU: 11167.4, 0.00317488/step Wall: 11167.4, 0.00317488/step, 1.29288 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: 3534000 4049.3122 20664.8938 14468.6444 255.0893 -203007.5539 2527.3999 0.0000 0.0000 51884.0984 -109158.1159 298.1786 -161042.2143 -108806.9895 300.0524 74.9423 101.7149 760681.0870 -10.1982 -10.3481 PRESSURE: 3534200 -21.9348 110.818 -221.298 110.818 134.023 -104.18 -221.297 -104.179 -271.338 GPRESSURE: 3534200 -83.9932 43.6351 -180.242 136.614 149.571 -80.3853 -160.154 23.5774 -149.216 PRESSAVG: 3534200 15.623 13.6165 -17.9777 13.6164 50.6392 2.77696 -17.9776 2.77701 0.445482 GPRESSAVG: 3534200 16.7286 12.4602 -17.6791 13.2193 50.1336 3.24992 -16.6768 2.99186 -0.675453 TIMING: 3534200 CPU: 11168, 0.00317809/step Wall: 11168, 0.00317809/step, 1.29401 hours remaining, 236.152344 MB of memory in use. ENERGY: 3534200 3989.5463 20661.2323 14514.1608 257.8898 -202500.2433 2130.1458 0.0000 0.0000 52015.7970 -108931.4714 298.9355 -160947.2684 -108575.1920 299.9913 -53.0834 -27.8793 761522.5372 22.2359 22.0622 PRESSURE: 3534400 -133.627 -28.0254 -44.2398 -28.0268 37.3173 -87.6983 -44.2396 -87.6979 448.076 GPRESSURE: 3534400 -16.7925 -87.3584 -103.71 5.69332 50.6582 6.71566 -50.6288 -234.267 390.744 PRESSAVG: 3534400 43.1364 -4.86367 -52.4885 -4.86374 -12.2977 -31.0947 -52.4885 -31.0947 -8.96382 GPRESSAVG: 3534400 43.5534 -2.30506 -51.2505 -5.75155 -12.3971 -30.6887 -53.426 -31.6923 -9.32977 TIMING: 3534400 CPU: 11168.7, 0.00319621/step Wall: 11168.7, 0.00319621/step, 1.30121 hours remaining, 236.152344 MB of memory in use. ENERGY: 3534400 3959.7577 20413.6618 14430.7605 265.0868 -202763.4353 2420.0611 0.0000 0.0000 52081.4465 -109192.6609 299.3128 -161274.1074 -108827.9206 299.9533 117.2553 141.5364 761840.7344 7.2916 7.2755 PRESSURE: 3534600 -91.8233 -187.47 -217.177 -187.469 157.414 229.018 -217.177 229.018 121.099 GPRESSURE: 3534600 -99.3359 -257.003 -134.557 -130.531 175.426 194.688 -127.602 184.824 207.838 PRESSAVG: 3534600 -59.0685 20.1428 68.7165 20.1428 56.181 6.12817 68.7165 6.12817 -14.8048 GPRESSAVG: 3534600 -60.422 18.5992 68.2272 22.2417 56.1146 6.09764 67.708 6.42516 -13.5001 TIMING: 3534600 CPU: 11169.3, 0.00319818/step Wall: 11169.3, 0.00319818/step, 1.30184 hours remaining, 236.152344 MB of memory in use. ENERGY: 3534600 3951.6454 20561.2812 14407.5910 248.0512 -202837.6982 2321.0834 0.0000 0.0000 52260.1793 -109087.8667 300.3400 -161348.0460 -108734.2239 299.5910 62.2298 94.6428 761985.4190 -5.8974 -5.9358 PRESSURE: 3534800 98.7222 -10.3685 72.3961 -10.3692 -125.857 -206.417 72.3959 -206.416 -5.51727 GPRESSURE: 3534800 62.8475 -6.89887 8.20142 63.829 -66.5039 -124.061 94.0069 -110.825 47.4107 PRESSAVG: 3534800 12.7397 -22.8895 11.2533 -22.8895 36.0805 9.93666 11.2533 9.93679 44.5821 GPRESSAVG: 3534800 11.5307 -20.7392 9.89079 -25.1227 37.4684 10.1184 12.5455 11.8922 44.1553 TIMING: 3534800 CPU: 11170, 0.00318421/step Wall: 11170, 0.00318421/step, 1.29597 hours remaining, 236.152344 MB of memory in use. ENERGY: 3534800 3980.1216 20380.1281 14443.7472 261.6036 -202738.4733 2087.1808 0.0000 0.0000 52190.9300 -109394.7619 299.9420 -161585.6920 -109018.6635 299.9872 -10.8841 14.5848 761825.5654 31.1341 31.0515 PRESSURE: 3535000 -5.1046 26.1387 -44.512 26.1388 -255.6 -274.757 -44.511 -274.756 -40.2289 GPRESSURE: 3535000 -15.2849 -87.1531 -43.0613 102.642 -246.215 -261.491 -51.1943 -250.881 49.0033 PRESSAVG: 3535000 -3.21359 -13.9891 -11.3658 -13.9891 49.6794 -1.08804 -11.3659 -1.08802 -3.85739 GPRESSAVG: 3535000 -0.932983 -16.2132 -10.5218 -13.2381 48.6076 -2.2905 -12.2991 -2.18256 -4.76844 TIMING: 3535000 CPU: 11170.6, 0.00318194/step Wall: 11170.6, 0.00318194/step, 1.29487 hours remaining, 236.152344 MB of memory in use. ENERGY: 3535000 4031.6998 20587.1684 14377.1608 239.6822 -202634.2347 2124.3522 0.0000 0.0000 51996.2379 -109277.9335 298.8231 -161274.1713 -108918.5733 299.6190 -100.3111 -70.8323 761933.4966 14.2028 14.3020 PRESSURE: 3535200 -177.361 -147.496 -21.8113 -147.497 -200.005 -18.7947 -21.8115 -18.7958 -197.465 GPRESSURE: 3535200 -135.663 -127.77 -49.6689 -204.492 -194.809 -27.8215 38.6604 -60.727 -175.501 PRESSAVG: 3535200 -34.6155 59.2771 1.9573 59.2772 50.4137 16.4046 1.95718 16.4045 5.61851 GPRESSAVG: 3535200 -35.9916 61.0488 1.79956 60.3602 51.4196 18.6927 2.02313 15.5617 5.19749 TIMING: 3535200 CPU: 11171.2, 0.0031893/step Wall: 11171.2, 0.0031893/step, 1.29769 hours remaining, 236.152344 MB of memory in use. ENERGY: 3535200 4008.7767 20514.3039 14416.2455 233.1920 -202959.3813 2283.2313 0.0000 0.0000 52214.0566 -109289.5753 300.0749 -161503.6319 -108927.4947 299.5863 -191.6104 -168.6577 761166.1317 7.1389 6.8752 PRESSURE: 3535400 63.6523 -132.035 52.3135 -132.035 49.4671 -171.034 52.3141 -171.034 -14 GPRESSURE: 3535400 55.6793 -39.9906 20.8248 -126 133.635 -193.972 108.392 -208.634 1.81636 PRESSAVG: 3535400 -27.2608 -39.2763 -6.4998 -39.2762 26.0063 23.3305 -6.4998 23.3305 11.6315 GPRESSAVG: 3535400 -27.7947 -39.8813 -8.46002 -39.5401 25.6061 22.306 -5.13349 22.7114 12.8846 TIMING: 3535400 CPU: 11171.9, 0.0031719/step Wall: 11171.9, 0.0031719/step, 1.29043 hours remaining, 236.152344 MB of memory in use. ENERGY: 3535400 3939.9304 20693.2760 14477.1373 239.2262 -202628.4697 2118.1817 0.0000 0.0000 52164.5196 -108996.1987 299.7902 -161160.7182 -108632.9213 299.4113 33.0398 63.7102 761319.9897 3.4590 3.5653 PRESSURE: 3535600 -138.243 -65.5752 -231.073 -65.575 410.106 115.986 -231.072 115.985 -147.901 GPRESSURE: 3535600 -76.7021 -177.94 -262.091 -69.392 286.923 89.0403 -162.92 237.065 -15.0208 PRESSAVG: 3535600 -63.4831 -47.0827 -1.6871 -47.0827 64.0597 44.9503 -1.68719 44.9503 13.0368 GPRESSAVG: 3535600 -63.8771 -46.8404 -1.02738 -46.1891 64.773 43.5476 -1.70076 47.8095 12.9104 TIMING: 3535600 CPU: 11172.5, 0.00318453/step Wall: 11172.5, 0.00318453/step, 1.2954 hours remaining, 236.152344 MB of memory in use. ENERGY: 3535600 4012.0635 20544.8157 14402.0301 244.7682 -203345.0549 2754.4086 0.0000 0.0000 52214.7561 -109172.2127 300.0789 -161386.9688 -108801.0621 299.5896 41.3208 65.0666 761192.7735 4.5378 4.6021 PRESSURE: 3535800 -239.313 -37.5146 -219.267 -37.5142 231.209 94.0111 -219.268 94.0121 425.635 GPRESSURE: 3535800 -224.855 -17.2822 -195.197 -56.5268 272.412 143.607 -257.19 -35.2089 436.32 PRESSAVG: 3535800 -39.7336 -5.07071 -9.38006 -5.07066 36.5321 8.30711 -9.38005 8.30708 -13.7691 GPRESSAVG: 3535800 -38.9297 -3.17718 -8.7551 -7.07424 35.4762 9.70683 -8.86378 6.52942 -13.716 TIMING: 3535800 CPU: 11173.1, 0.00317289/step Wall: 11173.1, 0.00317289/step, 1.29049 hours remaining, 236.152344 MB of memory in use. ENERGY: 3535800 3973.8985 20712.6409 14428.7823 221.2661 -203314.9380 2664.8364 0.0000 0.0000 51921.6973 -109391.8165 298.3947 -161313.5139 -109029.6768 299.2413 139.1772 161.2925 760773.9184 -5.6569 -5.7231 PRESSURE: 3536000 17.5737 174.053 31.7616 174.053 -98.9604 366.428 31.762 366.428 224.177 GPRESSURE: 3536000 -4.53777 143.346 82.8842 -4.48681 -9.64247 336.355 -82.7517 300.935 226.691 PRESSAVG: 3536000 -56.9624 7.29314 -34.6736 7.29312 60.1118 29.665 -34.6736 29.6651 -8.80526 GPRESSAVG: 3536000 -56.7887 4.88803 -33.4289 7.56036 60.3272 29.7405 -36.2092 27.3812 -9.85657 TIMING: 3536000 CPU: 11173.8, 0.00314584/step Wall: 11173.8, 0.00314584/step, 1.27931 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: 3536000 3916.0683 20604.3859 14461.4570 240.6758 -203173.2913 2511.4980 0.0000 0.0000 52081.2409 -109357.9654 299.3116 -161439.2063 -108988.8965 299.3044 47.5968 70.8371 760745.3042 -1.8853 -2.1061 PRESSURE: 3536200 -152.466 -350.887 121.432 -350.888 185.896 -45.2204 121.433 -45.2199 -225.096 GPRESSURE: 3536200 -24.9512 -285.053 178.748 -288.759 119.677 -58.6245 69.5412 -13.0488 -186.651 PRESSAVG: 3536200 7.00561 -20.8509 -33.5625 -20.8509 -22.2795 24.1586 -33.5626 24.1586 -1.02439 GPRESSAVG: 3536200 6.56402 -20.0358 -34.1286 -20.7732 -22.5363 22.863 -33.0102 27.8879 -0.165242 TIMING: 3536200 CPU: 11174.4, 0.00317854/step Wall: 11174.4, 0.00317854/step, 1.29243 hours remaining, 236.152344 MB of memory in use. ENERGY: 3536200 3985.1722 20712.5972 14452.0355 259.7567 -203053.0848 2383.7632 0.0000 0.0000 51949.1572 -109310.6027 298.5525 -161259.7599 -108956.1490 299.5658 -63.8887 -30.6417 761639.8695 -5.4328 -5.3792 LDB: ============= START OF LOAD BALANCING ============== 11186.9 LDB: ============== END OF LOAD BALANCING =============== 11186.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11186.9 LDB: ============= START OF LOAD BALANCING ============== 11187.3 LDB: Largest compute 7075 load 0.032094 is 16.4% of average load 0.195599 LDB: Average compute 0.004359 is 2.2% of average load 0.195599 LDB: TIME 11187.3 LOAD: AVG 0.195599 MAX 0.215059 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.371 MB LDB: TIME 11187.3 LOAD: AVG 0.195599 MAX 0.215059 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.441 MB LDB: TIME 11187.3 LOAD: AVG 0.195599 MAX 0.215059 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.441 MB LDB: ============== END OF LOAD BALANCING =============== 11187.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11187.3 PRESSURE: 3536400 -185.11 85.6081 -61.6884 85.6083 116.866 136.196 -61.6879 136.195 -121.834 GPRESSURE: 3536400 -149.642 119.055 -94.8507 129.83 130.321 147.404 -61.1667 151.488 -63.4429 PRESSAVG: 3536400 0.725451 -31.2501 -1.00316 -31.2501 38.2872 21.3473 -1.00309 21.3472 11.3948 GPRESSAVG: 3536400 1.2026 -32.8817 -2.26423 -29.543 38.4877 20.8053 0.487718 22.16 10.7931 TIMING: 3536400 CPU: 11175.1, 0.00325693/step Wall: 11175.1, 0.00325693/step, 1.32412 hours remaining, 235.500000 MB of memory in use. ENERGY: 3536400 3955.4357 20467.6284 14583.1390 249.8311 -203472.1530 2584.3767 0.0000 0.0000 52082.7030 -109549.0391 299.3200 -161631.7421 -109181.5381 299.1242 -63.3593 -27.5880 759823.2560 16.8025 16.8278 PRESSURE: 3536600 -82.4536 -99.3501 -117.839 -99.3497 -207.02 171.883 -117.838 171.882 -175.532 GPRESSURE: 3536600 -154.362 -230.945 -78.4626 -120.715 -113.463 158.355 -121.613 177.218 -112.527 PRESSAVG: 3536600 8.4024 -44.2709 -31.6409 -44.2708 -2.54614 76.4276 -31.6409 76.4276 3.07443 GPRESSAVG: 3536600 7.32188 -42.7934 -30.1075 -43.7587 -2.66429 76.6605 -31.9764 75.3082 4.38018 TIMING: 3536600 CPU: 11175.7, 0.00316894/step Wall: 11175.7, 0.00316894/step, 1.28818 hours remaining, 236.164062 MB of memory in use. ENERGY: 3536600 4012.5128 20510.9447 14515.8383 235.5222 -203165.9469 2469.0131 0.0000 0.0000 51874.4946 -109547.6211 298.1234 -161422.1157 -109190.1513 299.0803 -155.0018 -126.7841 759922.3918 2.9769 3.0126 PRESSURE: 3536800 31.136 51.215 -6.01805 51.2144 -122.518 -245.122 -6.01898 -245.123 -183.129 GPRESSURE: 3536800 -4.49185 228.33 28.7366 -10.2618 36.1756 -293.411 -14.3667 -131.477 -200.134 PRESSAVG: 3536800 -40.6317 -28.3635 8.12684 -28.3635 31.5438 22.5878 8.12683 22.5878 -1.36868 GPRESSAVG: 3536800 -40.5165 -26.1612 6.62915 -30.3285 33.3046 23.7526 8.16257 21.7214 -3.37918 TIMING: 3536800 CPU: 11176.3, 0.00313673/step Wall: 11176.3, 0.00313673/step, 1.27491 hours remaining, 236.175781 MB of memory in use. ENERGY: 3536800 3950.7687 20452.1767 14449.7243 251.6747 -203215.3582 2563.5541 0.0000 0.0000 51935.6372 -109611.8225 298.4748 -161547.4597 -109254.2195 298.7795 -91.5035 -56.1500 760135.1730 -3.4855 -3.5304 PRESSURE: 3537000 -17.8189 110.922 -210.526 110.923 306.057 -66.8956 -210.526 -66.8957 238.399 GPRESSURE: 3537000 78.2755 24.4212 -160.614 25.6232 380.917 -121.586 -144.897 43.5458 166.353 PRESSAVG: 3537000 18.4675 -30.7374 19.886 -30.7374 -1.82331 -16.4095 19.886 -16.4096 -1.98493 GPRESSAVG: 3537000 18.9971 -31.5518 20.8295 -31.2492 -2.41946 -17.1181 18.7922 -16.0023 -2.15772 TIMING: 3537000 CPU: 11176.9, 0.00315027/step Wall: 11176.9, 0.00315027/step, 1.28023 hours remaining, 236.175781 MB of memory in use. ENERGY: 3537000 3977.3381 20433.6856 14464.2048 238.7272 -203185.2078 2518.6234 0.0000 0.0000 52097.2776 -109455.3511 299.4038 -161552.6286 -109108.4830 298.9448 175.5456 208.5152 759401.1075 4.8864 4.8066 PRESSURE: 3537200 -315.407 48.4416 -127.13 48.4414 -183.157 -8.00995 -127.129 -8.00986 -208.416 GPRESSURE: 3537200 -328.837 -52.9875 -80.2543 -89.4917 -129.135 26.6475 -17.2855 164.221 -168.691 PRESSAVG: 3537200 7.56709 -42.5161 -24.6396 -42.516 -8.32345 -33.7984 -24.6396 -33.7983 -5.84416 GPRESSAVG: 3537200 8.02375 -43.1405 -25.9453 -40.9092 -8.99673 -32.8187 -24.2371 -35.5621 -5.58972 TIMING: 3537200 CPU: 11177.6, 0.00314619/step Wall: 11177.6, 0.00314619/step, 1.2784 hours remaining, 236.175781 MB of memory in use. ENERGY: 3537200 3896.4784 20531.1465 14416.2228 263.9533 -202832.7148 2365.1287 0.0000 0.0000 51860.6348 -109499.1502 298.0438 -161359.7850 -109133.5256 298.7542 -235.6601 -208.8877 760812.1956 -2.2002 -2.1876 PRESSURE: 3537400 2.63592 39.6987 -263.941 39.6994 -32.1854 100.072 -263.94 100.072 160.389 GPRESSURE: 3537400 -39.4987 -6.99786 -147.087 25.7812 124.337 -15.4327 -308.27 167.388 148.831 PRESSAVG: 3537400 -34.6193 -8.94699 45.331 -8.94698 46.6911 -6.92125 45.331 -6.92127 -4.62391 GPRESSAVG: 3537400 -36.2259 -9.19792 46.5674 -9.61221 47.7234 -9.17929 46.132 -6.99334 -3.94718 TIMING: 3537400 CPU: 11178.2, 0.00315641/step Wall: 11178.2, 0.00315641/step, 1.28238 hours remaining, 236.378906 MB of memory in use. ENERGY: 3537400 3988.2398 20490.9703 14513.8790 244.0236 -203348.9868 2585.9233 0.0000 0.0000 51948.9604 -109576.9903 298.5514 -161525.9508 -109217.7438 298.7815 43.6131 77.8897 759474.2261 2.4826 2.5168 PRESSURE: 3537600 -314.656 17.6068 17.6248 17.6067 32.7219 -105.396 17.6238 -105.396 269.449 GPRESSURE: 3537600 -279.538 -18.9749 97.9724 180.191 52.571 -177.266 -67.305 -116.618 301.381 PRESSAVG: 3537600 13.9907 -31.4638 -26.2943 -31.4638 14.0086 -17.1658 -26.2943 -17.1658 -15.3118 GPRESSAVG: 3537600 15.5803 -32.6381 -25.1859 -30.5864 12.2308 -17.0741 -27.9729 -15.4664 -14.6827 TIMING: 3537600 CPU: 11178.8, 0.0031627/step Wall: 11178.8, 0.0031627/step, 1.28476 hours remaining, 236.378906 MB of memory in use. ENERGY: 3537600 3991.3268 20730.9347 14478.7228 259.1638 -203058.0296 2315.7324 0.0000 0.0000 51778.4377 -109503.7115 297.5714 -161282.1492 -109157.1941 298.6050 -4.1620 24.8047 759556.8786 4.2291 4.3761 PRESSURE: 3537800 -418.602 114.136 124.456 114.136 -6.49072 232.336 124.457 232.336 -283.407 GPRESSURE: 3537800 -426.466 51.6961 109.974 44.8891 32.1475 241.32 203.167 205.197 -242.256 PRESSAVG: 3537800 0.402967 -33.2737 5.99736 -33.2737 -7.24384 39.0292 5.99735 39.0292 12.0538 GPRESSAVG: 3537800 -1.26036 -33.5055 4.84707 -34.0154 -5.58378 38.8448 5.58301 38.4851 12.0637 TIMING: 3537800 CPU: 11179.5, 0.00317407/step Wall: 11179.5, 0.00317407/step, 1.2892 hours remaining, 236.378906 MB of memory in use. ENERGY: 3537800 4033.1863 20449.1861 14486.0302 264.4999 -202979.2683 2296.8317 0.0000 0.0000 52111.4742 -109338.0599 299.4854 -161449.5341 -108982.4939 299.1569 -236.1667 -212.1917 760927.9433 1.7376 1.7399 PRESSURE: 3538000 -173.606 -15.2568 226.133 -15.2565 -16.3206 40.9525 226.133 40.9527 -296.823 GPRESSURE: 3538000 -65.5003 -16.147 143.818 -287.328 3.61733 54.2158 255.369 4.04868 -326.474 PRESSAVG: 3538000 29.3741 -28.0719 -7.72637 -28.0719 -16.7556 -17.5914 -7.72638 -17.5916 23.1584 GPRESSAVG: 3538000 29.8431 -27.1633 -6.87666 -27.365 -17.5644 -15.1757 -7.38904 -17.1666 23.3613 TIMING: 3538000 CPU: 11180.1, 0.00317846/step Wall: 11180.1, 0.00317846/step, 1.29081 hours remaining, 236.378906 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: 3538000 3950.8384 20410.3534 14459.3496 246.1207 -203265.3017 2629.4048 0.0000 0.0000 51997.4364 -109571.7984 298.8300 -161569.2348 -109200.6348 299.1256 -162.2500 -129.4523 761129.0308 11.9256 11.8800 PRESSURE: 3538200 -41.1951 -12.7165 -136.118 -12.7163 -87.0679 -180.032 -136.117 -180.032 348.16 GPRESSURE: 3538200 -41.8204 26.8893 -67.7424 -9.825 21.8226 -216.326 -210.458 40.4515 318.181 PRESSAVG: 3538200 32.7347 -40.8065 40.405 -40.8065 1.25576 -15.5966 40.4051 -15.5966 12.382 GPRESSAVG: 3538200 33.5335 -39.6593 41.0544 -41.664 1.28072 -17.4843 41.141 -14.9399 11.6607 TIMING: 3538200 CPU: 11180.7, 0.00315588/step Wall: 11180.7, 0.00315588/step, 1.28146 hours remaining, 236.378906 MB of memory in use. ENERGY: 3538200 4018.3665 20453.1881 14523.0728 259.9138 -203350.8012 2693.1530 0.0000 0.0000 51943.4410 -109459.6660 298.5197 -161403.1070 -109108.3375 299.2882 73.2990 99.3943 760128.3379 15.4575 15.4916 PRESSURE: 3538400 -171.607 55.7413 -161.711 55.7418 -93.9572 135.103 -161.711 135.103 -135.051 GPRESSURE: 3538400 -123.775 -3.15208 -115.099 56.6562 -26.6421 52.4083 -52.6254 97.1471 -152.781 PRESSAVG: 3538400 14.6357 -39.7377 9.29604 -39.7378 -18.7776 -4.43042 9.29609 -4.43039 12.2771 GPRESSAVG: 3538400 13.7944 -39.5171 8.31529 -38.3553 -18.2035 -4.24079 8.86755 -7.53096 13.029 TIMING: 3538400 CPU: 11181.4, 0.00317344/step Wall: 11181.4, 0.00317344/step, 1.28842 hours remaining, 236.378906 MB of memory in use. ENERGY: 3538400 3973.6530 20555.2229 14530.4693 249.7092 -203482.0320 2563.5659 0.0000 0.0000 51998.6968 -109610.7149 298.8372 -161609.4117 -109249.1137 299.1264 -133.5384 -101.0662 760325.7805 2.7117 2.8733 PRESSURE: 3538600 120.523 -35.7854 98.4702 -35.7854 193.161 -82.9924 98.4713 -82.9926 107.087 GPRESSURE: 3538600 100.362 -194.705 70.6542 -46.9855 288.924 -105.771 -61.0152 -37.1683 112.233 PRESSAVG: 3538600 -29.0824 0.912419 51.0445 0.912381 9.16702 15.6391 51.0445 15.6391 2.39025 GPRESSAVG: 3538600 -29.5003 0.616187 50.0452 -0.637962 10.8918 17.3167 51.4261 16.7894 1.20822 TIMING: 3538600 CPU: 11182, 0.00315704/step Wall: 11182, 0.00315704/step, 1.28158 hours remaining, 236.378906 MB of memory in use. ENERGY: 3538600 3921.9653 20583.2931 14483.2040 236.4068 -203318.9550 2588.0233 0.0000 0.0000 51960.5383 -109545.5243 298.6179 -161506.0626 -109193.6818 298.8037 140.2573 167.1730 760444.7024 -5.8417 -5.8001 PRESSURE: 3538800 146.76 -196.022 -78.3061 -196.023 115.942 -163.502 -78.3068 -163.502 56.9595 GPRESSURE: 3538800 181.932 -275.585 -41.5561 -163.178 161.113 -176.421 -129.099 -110.244 47.9626 PRESSAVG: 3538800 -13.86 27.7701 15.6805 27.7701 7.64509 1.62938 15.6805 1.62951 17.3972 GPRESSAVG: 3538800 -14.4352 28.33 16.9928 30.0521 8.11869 -1.26001 13.3195 4.63324 17.4897 TIMING: 3538800 CPU: 11182.6, 0.00314334/step Wall: 11182.6, 0.00314334/step, 1.27585 hours remaining, 236.378906 MB of memory in use. ENERGY: 3538800 3971.0635 20434.6038 14502.6213 245.4289 -203280.5822 2615.0136 0.0000 0.0000 52101.1251 -109410.7260 299.4259 -161511.8511 -109045.5991 299.1423 106.5536 130.3358 760033.4086 3.7274 3.7244 PRESSURE: 3539000 -50.4186 5.3611 129.7 5.36128 -16.1833 399.858 129.701 399.858 136.179 GPRESSURE: 3539000 2.66795 50.0307 85.3229 -2.49377 -41.4001 335.617 153.69 366.781 198.155 PRESSAVG: 3539000 -21.7752 47.7508 -15.6455 47.7509 17.103 40.7426 -15.6454 40.7426 20.846 GPRESSAVG: 3539000 -20.1712 46.6616 -14.6252 47.7139 15.8432 40.7915 -14.9159 39.2588 21.0251 TIMING: 3539000 CPU: 11183.3, 0.00316364/step Wall: 11183.3, 0.00316364/step, 1.28391 hours remaining, 236.378906 MB of memory in use. ENERGY: 3539000 3944.3690 20447.9216 14461.3176 245.4162 -202783.7694 2320.1126 0.0000 0.0000 52069.1838 -109295.4486 299.2423 -161364.6324 -108932.0115 298.7869 23.1924 53.1408 760523.0025 5.3913 5.5657 PRESSURE: 3539200 350.86 41.8113 23.8147 41.8116 76.0981 -115.666 23.8137 -115.666 272.225 GPRESSURE: 3539200 353.467 -11.4363 121.719 -38.0939 73.9417 -162.575 -45.176 -28.1112 341.31 PRESSAVG: 3539200 25.8075 11.3366 74.6107 11.3366 -1.99315 -52.065 74.6107 -52.065 -4.43423 GPRESSAVG: 3539200 26.7107 11.9023 72.2173 10.7229 -3.65 -50.5837 77.1887 -53.8409 -3.5077 TIMING: 3539200 CPU: 11183.9, 0.00317097/step Wall: 11183.9, 0.00317097/step, 1.28671 hours remaining, 236.378906 MB of memory in use. ENERGY: 3539200 3966.5828 20536.0470 14520.3039 256.9182 -203051.9581 2479.8851 0.0000 0.0000 51940.1699 -109352.0511 298.5009 -161292.2211 -108993.9511 299.2845 233.0609 256.2393 760097.1288 6.4601 6.5177 PRESSURE: 3539400 -433.382 -107.061 30.3688 -107.062 28.0253 197.826 30.3687 197.826 -168.486 GPRESSURE: 3539400 -328.272 -151.272 96.0945 -64.5639 69.2035 214.506 -146.273 57.4117 -214.123 PRESSAVG: 3539400 34.7252 -11.1922 -4.77296 -11.1922 18.7746 25.1148 -4.77297 25.1149 7.88001 GPRESSAVG: 3539400 34.7638 -11.2255 -3.00984 -9.94876 20.8853 24.8309 -5.75766 25.9196 5.90274 TIMING: 3539400 CPU: 11184.5, 0.00315917/step Wall: 11184.5, 0.00315917/step, 1.28175 hours remaining, 236.378906 MB of memory in use. ENERGY: 3539400 4069.2637 20427.2348 14500.8566 246.5186 -203084.1253 2265.8454 0.0000 0.0000 52185.8167 -109388.5895 299.9126 -161574.4062 -109026.5199 299.5878 -191.2810 -157.7308 759327.9605 20.4599 20.5173 PRESSURE: 3539600 -131.283 -48.6099 163.046 -48.6109 43.4645 -86.9096 163.046 -86.9092 197.71 GPRESSURE: 3539600 -107.84 74.3079 154.699 -127.964 122.745 -47.5387 143.406 -35.2542 172.849 PRESSAVG: 3539600 -14.7084 37.016 38.244 37.016 -14.551 -5.75351 38.2439 -5.75352 -16.5592 GPRESSAVG: 3539600 -15.8157 37.3128 36.703 36.9886 -14.2833 -4.4146 37.1792 -5.31368 -16.3148 TIMING: 3539600 CPU: 11185.2, 0.00317408/step Wall: 11185.2, 0.00317408/step, 1.28762 hours remaining, 236.378906 MB of memory in use. ENERGY: 3539600 3944.1649 20538.5898 14421.3063 235.3876 -203082.6473 2644.8412 0.0000 0.0000 52035.2265 -109263.1311 299.0472 -161298.3576 -108904.7621 299.7543 36.6306 62.5845 760806.2422 -15.2728 -15.4712 PRESSURE: 3539800 123.308 -5.49374 27.4199 -5.49374 257.673 -99.173 27.4196 -99.1734 226.571 GPRESSURE: 3539800 222.137 24.0308 68.1804 -70.5562 269.268 -66.9382 149.658 -98.8866 196.876 PRESSAVG: 3539800 -16.1909 -6.33593 -21.9378 -6.33593 42.3326 -2.24971 -21.9378 -2.2497 11.1391 GPRESSAVG: 3539800 -14.7816 -8.77251 -19.1182 -6.09809 40.3442 -2.16988 -22.894 -2.65097 11.8308 TIMING: 3539800 CPU: 11185.8, 0.00317219/step Wall: 11185.8, 0.00317219/step, 1.28667 hours remaining, 236.378906 MB of memory in use. ENERGY: 3539800 4121.7802 20649.7107 14386.0739 263.2670 -203226.1094 2398.5136 0.0000 0.0000 52004.0574 -109402.7066 298.8680 -161406.7640 -109041.8056 299.6447 202.5172 229.4267 758215.1751 12.4269 12.4645 PRESSURE: 3540000 81.2767 -76.1567 -241.851 -76.1564 -36.8337 -50.6766 -241.851 -50.6768 -152.886 GPRESSURE: 3540000 30.7184 -53.2803 -271.684 7.33572 66.9298 1.29903 -275.761 -94.9801 -122.55 PRESSAVG: 3540000 -14.7024 -3.9349 -40.557 -3.93492 -4.24341 -18.3328 -40.5569 -18.3328 -45.5654 GPRESSAVG: 3540000 -16.3776 -1.38835 -41.8008 -5.33147 -3.6086 -19.0211 -41.7575 -18.482 -44.9786 TIMING: 3540000 CPU: 11186.4, 0.00316832/step Wall: 11186.4, 0.00316832/step, 1.28493 hours remaining, 236.378906 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: 3540000 3977.5600 20556.7275 14439.8828 249.4369 -203468.2077 2594.7637 0.0000 0.0000 52171.1767 -109478.6601 299.8285 -161649.8368 -109120.2418 299.2273 -36.1475 -8.3005 760220.8041 -21.5037 -21.6549 PRESSURE: 3540200 -261.58 -138.535 -264.005 -138.534 117.972 10.5324 -264.004 10.5331 108.56 GPRESSURE: 3540200 -148.883 -113.576 -307.023 -159.088 117.436 -47.2657 -156.969 37.1523 93.5595 PRESSAVG: 3540200 -39.9817 -14.1943 -38.4021 -14.1942 69.5187 17.0972 -38.4021 17.0973 11.5568 GPRESSAVG: 3540200 -40.2932 -15.043 -38.9468 -14.2195 70.0044 16.1012 -36.1213 18.2523 11.4006 TIMING: 3540200 CPU: 11187.1, 0.00316364/step Wall: 11187.1, 0.00316364/step, 1.28286 hours remaining, 236.378906 MB of memory in use. ENERGY: 3540200 4029.4372 20611.2139 14481.0505 238.6176 -203309.9214 2536.3084 0.0000 0.0000 52060.5072 -109352.7866 299.1925 -161413.2937 -108995.3438 299.8369 -11.6827 20.7038 758886.7537 13.6979 13.7039 LDB: ============= START OF LOAD BALANCING ============== 11199.6 LDB: ============== END OF LOAD BALANCING =============== 11199.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11199.6 LDB: ============= START OF LOAD BALANCING ============== 11199.9 LDB: Largest compute 7058 load 0.031832 is 16.3% of average load 0.195721 LDB: Average compute 0.004365 is 2.2% of average load 0.195721 LDB: TIME 11199.9 LOAD: AVG 0.195721 MAX 0.211978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.195 MB LDB: TIME 11199.9 LOAD: AVG 0.195721 MAX 0.211978 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.195 MB LDB: TIME 11199.9 LOAD: AVG 0.195721 MAX 0.211978 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.195 MB LDB: ============== END OF LOAD BALANCING =============== 11199.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11199.9 PRESSURE: 3540400 263.157 32.9815 -154.205 32.9819 379.006 -12.9872 -154.204 -12.987 236.088 GPRESSURE: 3540400 185.992 15.7302 -48.3737 103.946 449.33 -27.0517 -14.795 -53.1864 318.194 PRESSAVG: 3540400 -30.6251 -40.595 13.8701 -40.5949 -15.544 -16.1287 13.8701 -16.1287 -17.1651 GPRESSAVG: 3540400 -29.4733 -39.9774 13.4939 -39.9365 -16.3227 -14.886 16.3166 -18.7518 -17.4527 TIMING: 3540400 CPU: 11187.7, 0.0032211/step Wall: 11187.7, 0.0032211/step, 1.30598 hours remaining, 235.449219 MB of memory in use. ENERGY: 3540400 3934.4168 20448.5580 14511.7781 246.4093 -203315.7588 2736.5172 0.0000 0.0000 52026.0957 -109411.9837 298.9947 -161438.0794 -109044.5863 298.9468 292.7504 317.8384 761194.7940 -21.1114 -21.0829 PRESSURE: 3540600 132.973 -190.636 -93.685 -190.636 -6.76703 359.066 -93.6863 359.066 -293.503 GPRESSURE: 3540600 42.821 -146.334 -52.866 -131.844 65.8491 302.646 83.5964 238.725 -193.326 PRESSAVG: 3540600 -50.5833 -9.08426 1.07262 -9.08422 38.7217 45.9311 1.07259 45.9312 2.36374 GPRESSAVG: 3540600 -51.9288 -6.99925 2.61744 -10.0813 38.65 45.8322 -1.78022 45.5964 3.30185 TIMING: 3540600 CPU: 11188.3, 0.0031637/step Wall: 11188.3, 0.0031637/step, 1.28253 hours remaining, 235.742188 MB of memory in use. ENERGY: 3540600 3912.2620 20626.0518 14456.3965 250.1449 -203511.1407 2761.2256 0.0000 0.0000 51779.1325 -109725.9273 297.5754 -161505.0599 -109369.6499 298.4924 -55.7658 -28.2186 761336.2989 -3.1659 -3.3257 PRESSURE: 3540800 -606.131 1.38202 199.317 1.38221 23.2831 -27.2765 199.318 -27.2771 37.2245 GPRESSURE: 3540800 -419.007 17.5336 178.064 41.4093 19.908 -125.047 153.527 -22.8688 -67.0055 PRESSAVG: 3540800 -84.1524 26.9571 -10.3644 26.9571 71.3888 -12.4615 -10.3644 -12.4616 -8.90409 GPRESSAVG: 3540800 -82.3913 23.5451 -10.8979 27.4563 70.5317 -14.3651 -9.99818 -11.4176 -9.57207 TIMING: 3540800 CPU: 11189, 0.00316014/step Wall: 11189, 0.00316014/step, 1.28091 hours remaining, 235.726562 MB of memory in use. ENERGY: 3540800 3916.2190 20573.1154 14480.3830 240.1057 -203526.1328 2483.4944 0.0000 0.0000 52064.6390 -109768.1763 299.2162 -161832.8153 -109410.4796 298.7238 -181.8746 -155.3683 761173.1769 -7.2226 -7.1439 PRESSURE: 3541000 372.952 -19.9662 -16.9641 -19.9665 139.475 100.678 -16.9647 100.678 609.016 GPRESSURE: 3541000 468.502 -61.2235 -24.1231 -170.343 247.26 57.8015 -83.7118 115.91 479.783 PRESSAVG: 3541000 8.98226 -75.4202 26.2411 -75.4202 -0.503461 18.3334 26.2411 18.3335 -8.71931 GPRESSAVG: 3541000 9.05755 -74.3304 25.0299 -76.1168 0.488764 21.2932 26.6103 18.8696 -9.24434 TIMING: 3541000 CPU: 11189.6, 0.0031587/step Wall: 11189.6, 0.0031587/step, 1.28015 hours remaining, 235.726562 MB of memory in use. ENERGY: 3541000 3948.7359 20379.6795 14491.2734 245.9967 -203686.5316 2752.9067 0.0000 0.0000 52189.6134 -109678.3260 299.9344 -161867.9394 -109303.0863 298.3835 373.8144 398.5148 757316.5515 -0.0802 0.1007 PRESSURE: 3541200 369.162 53.5298 -322.327 53.5304 -60.2711 72.9046 -322.326 72.9053 -318.513 GPRESSURE: 3541200 325.637 155.699 -232.99 -91.7804 36.4582 52.1674 -184.157 48.7825 -274.114 PRESSAVG: 3541200 9.64142 -25.9413 15.5671 -25.9412 -33.7972 30.2727 15.5672 30.2728 5.0573 GPRESSAVG: 3541200 9.35198 -25.054 16.6784 -27.009 -33.71 28.3877 16.5867 28.7069 5.1208 TIMING: 3541200 CPU: 11190.2, 0.00314291/step Wall: 11190.2, 0.00314291/step, 1.27358 hours remaining, 235.726562 MB of memory in use. ENERGY: 3541200 3984.1232 20392.4984 14381.4868 232.6497 -203167.8890 2375.2533 0.0000 0.0000 52129.3333 -109672.5443 299.5880 -161801.8776 -109311.9717 298.9342 -3.2073 29.3270 758583.7515 -6.3662 -6.4124 PRESSURE: 3541400 -254.247 5.41678 93.4037 5.41706 -293.2 -26.1043 93.4031 -26.1053 -228.844 GPRESSURE: 3541400 -204.65 -84.6801 34.9836 29.7939 -289.306 29.9296 6.44875 39.1515 -177.166 PRESSAVG: 3541400 -32.414 4.26482 42.7808 4.26481 41.0433 12.8263 42.7808 12.8262 4.65597 GPRESSAVG: 3541400 -33.8948 2.904 42.0923 6.02698 42.3583 13.0359 43.9873 14.5049 5.27634 TIMING: 3541400 CPU: 11190.9, 0.00316883/step Wall: 11190.9, 0.00316883/step, 1.28391 hours remaining, 235.726562 MB of memory in use. ENERGY: 3541400 4032.7657 20504.6671 14395.7001 256.5899 -202812.1858 2103.1148 0.0000 0.0000 52007.9728 -109511.3753 298.8905 -161519.3481 -109146.3951 299.2994 -258.7636 -223.7075 762066.3330 4.4284 4.5799 PRESSURE: 3541600 -236.934 -98.621 5.82938 -98.6205 52.4878 -31.0223 5.82897 -31.022 87.0082 GPRESSURE: 3541600 -136.44 -42.2585 83.4547 -114.003 45.4542 -98.1991 -99.1654 -139.05 74.2449 PRESSAVG: 3541600 -74.7209 -31.5438 11.8886 -31.5438 50.4192 -1.74375 11.8887 -1.74373 2.1471 GPRESSAVG: 3541600 -73.0647 -28.0906 12.9633 -32.132 49.1596 -0.844543 7.27887 -1.8523 2.09212 TIMING: 3541600 CPU: 11191.5, 0.00313951/step Wall: 11191.5, 0.00313951/step, 1.27185 hours remaining, 235.777344 MB of memory in use. ENERGY: 3541600 4018.5061 20573.0209 14475.9259 251.2218 -203128.6266 2220.0502 0.0000 0.0000 52263.4834 -109326.4183 300.3590 -161589.9018 -108949.7951 300.1825 -32.4792 -5.5803 759840.3370 -7.3849 -7.2710 PRESSURE: 3541800 -259.24 171.492 -95.2343 171.491 -135.234 -20.0919 -95.2337 -20.0916 148.949 GPRESSURE: 3541800 -310.781 258.68 -66.2872 88.2601 4.54665 64.9324 43.4616 -76.6262 138.643 PRESSAVG: 3541800 -8.28017 50.1641 -38.3701 50.1641 24.8409 7.84621 -38.3701 7.84628 -23.7062 GPRESSAVG: 3541800 -8.44895 48.2357 -40.2085 50.4209 24.1759 7.6019 -34.6831 5.37885 -23.7125 TIMING: 3541800 CPU: 11192.1, 0.0031581/step Wall: 11192.1, 0.0031581/step, 1.27921 hours remaining, 235.777344 MB of memory in use. ENERGY: 3541800 4010.8470 20593.7091 14462.3489 249.9101 -203169.3535 2390.0174 0.0000 0.0000 51994.1207 -109468.4002 298.8109 -161462.5209 -109108.5502 299.3421 -81.8415 -55.8638 760912.3300 -2.3818 -2.6619 PRESSURE: 3542000 -117.529 -25.2589 109.871 -25.2592 422.019 -131.138 109.87 -131.137 23.2955 GPRESSURE: 3542000 -46.1016 -9.475 109.453 -28.1492 457.806 -55.6933 46.0216 -70.9757 -1.18778 PRESSAVG: 3542000 -16.875 53.6385 -0.567478 53.6386 -30.7151 -23.7236 -0.567488 -23.7236 33.4265 GPRESSAVG: 3542000 -15.9248 53.2928 0.895243 53.9575 -31.3086 -23.5653 -1.55266 -21.8127 32.8134 TIMING: 3542000 CPU: 11192.8, 0.00316332/step Wall: 11192.8, 0.00316332/step, 1.28114 hours remaining, 235.777344 MB of memory 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 4014.8617 20427.5173 14488.1309 232.9901 -203153.2875 2578.2961 0.0000 0.0000 52128.1789 -109283.3124 299.5814 -161411.4913 -108930.0590 299.2712 109.2620 136.8388 760530.3867 -4.7212 -4.8067 PRESSURE: 3542200 -180.495 -106.396 4.11522 -106.396 -9.42363 -253.801 4.11515 -253.802 -385.962 GPRESSURE: 3542200 -174.131 -98.3859 11.0372 -41.8638 51.7062 -320.844 -25.2134 -188.365 -364.034 PRESSAVG: 3542200 -31.6943 -38.7771 20.1128 -38.7772 -26.9969 -17.3796 20.1128 -17.3797 -4.7076 GPRESSAVG: 3542200 -32.5811 -39.7689 19.1722 -38.05 -26.1162 -18.1918 20.3817 -16.1068 -5.12826 TIMING: 3542200 CPU: 11193.4, 0.00314332/step Wall: 11193.4, 0.00314332/step, 1.27287 hours remaining, 235.777344 MB of memory in use. ENERGY: 3542200 4000.9257 20558.1112 14427.1545 243.7519 -202987.3041 2414.2696 0.0000 0.0000 52186.4728 -109156.6184 299.9164 -161343.0912 -108796.5800 299.3971 -191.9599 -162.1527 763194.4895 -21.1329 -21.2752 PRESSURE: 3542400 -2.06243 -198.386 -205.756 -198.386 -77.0497 -66.4951 -205.755 -66.4947 -18.1887 GPRESSURE: 3542400 73.7836 -192.491 -170.939 -138.541 -70.9544 -60.4941 -210.849 -51.7378 -16.3005 PRESSAVG: 3542400 -28.2929 -41.9733 -36.9863 -41.9733 38.6053 -49.154 -36.9863 -49.1541 15.7303 GPRESSAVG: 3542400 -29.0622 -40.2524 -36.9886 -41.9661 39.0127 -50.0062 -35.9822 -50.1669 15.9932 TIMING: 3542400 CPU: 11194, 0.00316523/step Wall: 11194, 0.00316523/step, 1.28157 hours remaining, 235.777344 MB of memory in use. ENERGY: 3542400 3962.3861 20527.4970 14405.2118 241.9752 -203111.5984 2544.7194 0.0000 0.0000 52108.0288 -109321.7801 299.4656 -161429.8090 -108955.2609 299.4473 -32.4336 -4.4904 763157.4848 8.6809 8.6479 PRESSURE: 3542600 -125.699 132.206 54.353 132.205 -69.9364 55.6726 54.3533 55.6725 189.378 GPRESSURE: 3542600 -84.3228 151.035 56.8317 147.596 34.3765 116.501 98.1923 -5.3866 117.695 PRESSAVG: 3542600 9.9263 39.8752 -22.3871 39.8752 2.15097 11.3296 -22.387 11.3297 -14.6872 GPRESSAVG: 3542600 10.1223 38.0861 -22.5718 37.9475 1.07762 12.3806 -21.3664 8.76403 -14.371 TIMING: 3542600 CPU: 11194.7, 0.00317051/step Wall: 11194.7, 0.00317051/step, 1.28353 hours remaining, 235.777344 MB of memory in use. ENERGY: 3542600 4048.6912 20332.5842 14409.8774 235.9859 -203045.6660 2541.3381 0.0000 0.0000 52255.7249 -109221.4643 300.3144 -161477.1892 -108861.0653 299.6528 -2.0860 22.5828 762222.3005 -0.8700 -1.0570 PRESSURE: 3542800 116.856 51.1165 -23.292 51.1166 -233.367 240.449 -23.2921 240.448 132.735 GPRESSURE: 3542800 155.496 17.839 -93.313 50.2145 -112.496 173.009 16.3067 32.2393 58.8276 PRESSAVG: 3542800 9.9788 38.6081 -28.051 38.6082 1.80485 13.1684 -28.0509 13.1683 -11.6925 GPRESSAVG: 3542800 9.96596 38.799 -27.4041 39.4696 1.85887 13.443 -31.9667 14.5322 -11.375 TIMING: 3542800 CPU: 11195.3, 0.00315294/step Wall: 11195.3, 0.00315294/step, 1.27624 hours remaining, 235.777344 MB of memory in use. ENERGY: 3542800 4017.7482 20303.6269 14409.7058 239.6942 -203025.8777 2397.5605 0.0000 0.0000 52195.3677 -109462.1743 299.9675 -161657.5421 -109092.9564 299.4107 5.4082 33.9427 760836.1488 0.0304 0.1499 PRESSURE: 3543000 -11.1165 -99.2477 240.833 -99.2495 -174.93 -243.263 240.833 -243.263 -28.2015 GPRESSURE: 3543000 -38.8585 -126.393 286.65 -126.566 -135.659 -237.191 243.325 -185.167 13.28 PRESSAVG: 3543000 25.282 15.716 18.9282 15.716 -3.42773 30.0181 18.9282 30.0182 2.02645 GPRESSAVG: 3543000 25.0714 16.0175 20.9195 15.4109 -3.54386 29.4707 21.4101 31.1692 1.95719 TIMING: 3543000 CPU: 11195.9, 0.00315732/step Wall: 11195.9, 0.00315732/step, 1.27784 hours remaining, 235.843750 MB of memory in use. ENERGY: 3543000 3926.0774 20563.3067 14489.5026 252.7464 -203090.5866 2466.2656 0.0000 0.0000 51888.3112 -109504.3767 298.2028 -161392.6879 -109157.4866 299.4691 -71.4161 -53.7458 762270.6667 7.9602 7.8283 PRESSURE: 3543200 -380.416 -118.249 121.828 -118.249 -401.453 233.313 121.828 233.313 -284.014 GPRESSURE: 3543200 -322.61 -111.131 80.704 -74.1817 -429.483 249.79 193.793 255.462 -247.542 PRESSAVG: 3543200 -69.5854 -47.9218 -55.4992 -47.9218 26.5733 24.1451 -55.4992 24.1451 -12.1702 GPRESSAVG: 3543200 -68.781 -48.7964 -57.2305 -47.1103 26.1494 25.2004 -55.6079 25.3323 -12.4192 TIMING: 3543200 CPU: 11196.6, 0.00316875/step Wall: 11196.6, 0.00316875/step, 1.28229 hours remaining, 235.843750 MB of memory in use. ENERGY: 3543200 4023.9127 20478.5574 14383.3374 245.7455 -203027.6274 2449.1964 0.0000 0.0000 52110.0714 -109336.8064 299.4773 -161446.8778 -108973.5839 298.6880 -355.2944 -333.2116 763697.4130 -18.3941 -18.3503 PRESSURE: 3543400 -77.5708 25.7459 -224.824 25.7452 161.574 56.1485 -224.824 56.1485 446.704 GPRESSURE: 3543400 -7.82129 116.66 -228.493 103.9 166.181 116.146 -185.787 -26.4507 438.646 PRESSAVG: 3543400 -46.7069 2.08191 -18.568 2.08189 19.0064 14.5188 -18.568 14.5188 -8.09811 GPRESSAVG: 3543400 -47.1359 3.95029 -17.2888 2.94628 18.9901 13.8143 -19.176 12.6153 -7.44572 TIMING: 3543400 CPU: 11197.2, 0.00316785/step Wall: 11197.2, 0.00316785/step, 1.28175 hours remaining, 235.843750 MB of memory in use. ENERGY: 3543400 3983.7907 20499.9885 14416.7053 255.2173 -203529.8382 2828.1257 0.0000 0.0000 52121.0082 -109425.0026 299.5402 -161546.0108 -109067.9379 299.7567 176.9023 199.0019 760044.3001 -11.9329 -11.8639 PRESSURE: 3543600 39.2187 -24.3194 29.0586 -24.3198 310.517 -51.0848 29.0585 -51.0847 315.024 GPRESSURE: 3543600 -7.2301 -109.642 53.6599 38.2547 400.174 -58.2694 -12.1247 62.6417 359.701 PRESSAVG: 3543600 -11.487 -31.8894 -28.0555 -31.8894 13.1441 -64.2908 -28.0554 -64.2908 12.0308 GPRESSAVG: 3543600 -10.8888 -31.3437 -27.9487 -34.2592 12.2344 -64.5919 -28.4244 -62.6021 12.5662 TIMING: 3543600 CPU: 11197.8, 0.00317839/step Wall: 11197.8, 0.00317838/step, 1.28583 hours remaining, 235.843750 MB of memory in use. ENERGY: 3543600 3903.2532 20423.8655 14495.8071 234.4045 -203630.6802 2759.5336 0.0000 0.0000 52224.0808 -109589.7356 300.1325 -161813.8164 -109234.3384 299.4051 221.5867 250.8816 761896.5246 4.5626 4.6373 PRESSURE: 3543800 299.44 -78.7462 -238.037 -78.7464 -103.464 -113.093 -238.037 -113.093 -483.368 GPRESSURE: 3543800 215.353 -61.3103 -203.405 -175.82 -2.83914 -179.028 -447.551 -14.1434 -423.092 PRESSAVG: 3543800 -28.5103 -30.6277 37.8805 -30.6277 44.5059 -9.8689 37.8805 -9.86887 -16.4749 GPRESSAVG: 3543800 -28.6769 -33.1613 37.182 -27.6674 45.9278 -12.3622 38.7201 -10.3141 -17.3548 TIMING: 3543800 CPU: 11198.5, 0.00316191/step Wall: 11198.5, 0.00316191/step, 1.27899 hours remaining, 235.843750 MB of memory in use. ENERGY: 3543800 3970.1575 20704.8955 14440.5984 224.7992 -203736.5637 2876.8905 0.0000 0.0000 52093.3033 -109425.9193 299.3809 -161519.2226 -109067.6334 299.5784 -95.7973 -70.1927 761595.6865 -0.1598 -0.0347 PRESSURE: 3544000 75.8975 165.776 151.129 165.776 55.3063 -5.42094 151.129 -5.42228 168.006 GPRESSURE: 3544000 136.957 13.9631 268.791 61.8606 78.236 -5.47193 166.413 125.472 165.731 PRESSAVG: 3544000 33.8229 -44.4202 31.3797 -44.4202 -26.5916 -14.3048 31.3797 -14.3049 -2.80311 GPRESSAVG: 3544000 33.6393 -43.5423 31.6727 -45.9768 -26.4485 -12.3222 31.4786 -14.9671 -2.61122 TIMING: 3544000 CPU: 11199.1, 0.00317248/step Wall: 11199.1, 0.00317248/step, 1.28309 hours remaining, 235.843750 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: 3544000 3956.2246 20514.1533 14503.0051 246.7811 -203558.3202 2766.1663 0.0000 0.0000 52279.4108 -109292.5790 300.4505 -161571.9898 -108935.2450 299.5873 99.7365 126.9747 760192.6664 1.4761 1.5265 PRESSURE: 3544200 -47.7957 -160.761 -2.00255 -160.761 -22.6726 -48.7043 -2.00228 -48.7043 -375.016 GPRESSURE: 3544200 -9.97926 -55.8234 22.7778 -181.243 6.67164 -52.1324 46.9615 -46.6945 -348.137 PRESSAVG: 3544200 -22.8394 2.90226 -18.1186 2.90223 34.2382 53.6585 -18.1186 53.6584 -8.68625 GPRESSAVG: 3544200 -22.9654 2.32527 -18.0553 2.47975 34.8458 53.013 -20.5712 55.5116 -8.84336 TIMING: 3544200 CPU: 11199.7, 0.00314898/step Wall: 11199.7, 0.00314898/step, 1.27341 hours remaining, 235.843750 MB of memory in use. ENERGY: 3544200 4040.9879 20612.6445 14433.8737 247.8842 -203164.1003 2584.7066 0.0000 0.0000 51883.9514 -109360.0520 298.1778 -161244.0033 -109004.2039 299.4434 -148.4949 -117.1483 762194.7704 0.9042 1.0123 LDB: ============= START OF LOAD BALANCING ============== 11212.3 LDB: ============== END OF LOAD BALANCING =============== 11212.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11212.3 LDB: ============= START OF LOAD BALANCING ============== 11212.6 LDB: Largest compute 7027 load 0.032542 is 16.6% of average load 0.195633 LDB: Average compute 0.004386 is 2.2% of average load 0.195633 LDB: TIME 11212.6 LOAD: AVG 0.195633 MAX 0.22073 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.984 MB LDB: TIME 11212.6 LOAD: AVG 0.195633 MAX 0.22073 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.191 MB LDB: TIME 11212.6 LOAD: AVG 0.195633 MAX 0.217866 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.191 MB LDB: ============== END OF LOAD BALANCING =============== 11212.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11212.6 PRESSURE: 3544400 249.16 41.1076 -107.523 41.1082 21.3693 123.444 -107.524 123.444 -81.0573 GPRESSURE: 3544400 327.905 8.37192 -95.715 13.0669 10.7516 125.827 -63.5233 98.5701 -46.1174 PRESSAVG: 3544400 35.5504 38.0686 -0.0904926 38.0686 -11.3348 -34.666 -0.0905027 -34.666 -4.78418 GPRESSAVG: 3544400 36.68 39.7596 -0.129293 37.608 -11.9901 -35.4333 2.78437 -36.5282 -5.02737 TIMING: 3544400 CPU: 11200.4, 0.00323077/step Wall: 11200.4, 0.00323077/step, 1.30631 hours remaining, 235.394531 MB of memory in use. ENERGY: 3544400 4052.6878 20448.9576 14437.3219 247.8691 -203402.8648 2849.0403 0.0000 0.0000 51964.4237 -109402.5646 298.6403 -161366.9883 -109043.9839 299.3881 63.1574 97.5132 762025.9700 6.4771 6.5542 PRESSURE: 3544600 -30.7772 211.296 193.112 211.296 -158.611 127.308 193.112 127.308 -178.938 GPRESSURE: 3544600 -40.6779 256.25 144.938 136.324 -22.8821 73.9089 212.987 129.558 -218.731 PRESSAVG: 3544600 3.52138 25.0044 -30.7656 25.0044 -10.2278 -35.6299 -30.7656 -35.6298 -0.112842 GPRESSAVG: 3544600 3.34356 26.2035 -31.349 24.4633 -8.69096 -33.5018 -30.2681 -35.7945 -1.15279 TIMING: 3544600 CPU: 11201, 0.00315698/step Wall: 11201, 0.00315698/step, 1.2763 hours remaining, 235.597656 MB of memory in use. ENERGY: 3544600 3987.2789 20536.3241 14496.8626 240.4495 -203167.0157 2432.2564 0.0000 0.0000 52070.4588 -109403.3855 299.2496 -161473.8443 -109039.4653 299.6392 -122.7753 -94.0970 761501.5321 -2.2731 -2.1667 PRESSURE: 3544800 156.534 -125.797 183.211 -125.797 39.672 -160.806 183.211 -160.806 420.844 GPRESSURE: 3544800 186.529 -90.3924 116.041 -165.965 77.383 -129.595 94.6058 -346.41 448.792 PRESSAVG: 3544800 -59.8553 -18.1364 -23.425 -18.1364 66.8718 -33.1866 -23.425 -33.1866 3.2344 GPRESSAVG: 3544800 -60.4128 -20.495 -21.938 -16.9619 66.1224 -33.32 -26.9838 -35.1437 4.81834 TIMING: 3544800 CPU: 11201.6, 0.00316191/step Wall: 11201.6, 0.00316191/step, 1.27811 hours remaining, 235.597656 MB of memory in use. ENERGY: 3544800 3927.4488 20412.4612 14403.0251 236.1573 -203061.1020 2521.6136 0.0000 0.0000 52014.2300 -109546.1659 298.9265 -161560.3959 -109177.8149 299.4454 205.6831 237.5680 760257.8859 3.4170 3.5093 PRESSURE: 3545000 -175.726 185.97 153.944 185.97 -73.3879 -201.003 153.944 -201.003 145.63 GPRESSURE: 3545000 -77.3544 138.179 220.992 126.614 -58.2169 -162.571 79.8064 -83.9413 134.17 PRESSAVG: 3545000 -21.3686 -22.9869 12.5648 -22.9868 8.46979 7.97948 12.5649 7.97951 0.447264 GPRESSAVG: 3545000 -21.2113 -22.0535 10.4759 -22.6941 9.27524 6.77395 14.2424 10.0286 -0.333398 TIMING: 3545000 CPU: 11202.3, 0.00317531/step Wall: 11202.3, 0.00317531/step, 1.28335 hours remaining, 235.597656 MB of memory in use. ENERGY: 3545000 3995.1510 20492.9281 14438.5288 239.1342 -203073.0686 2641.1971 0.0000 0.0000 51953.0742 -109313.0554 298.5750 -161266.1295 -108949.8819 299.1045 -34.4944 -0.4672 761535.1131 -4.1505 -4.0898 PRESSURE: 3545200 -201.755 104.329 -99.8936 104.328 -259.844 94.49 -99.8941 94.4914 -322.592 GPRESSURE: 3545200 -127.712 113.409 -73.1158 92.7598 -257.264 95.3889 15.0078 107.698 -311.596 PRESSAVG: 3545200 25.519 37.5625 4.29937 37.5626 -17.0544 -52.3545 4.29941 -52.3546 13.4376 GPRESSAVG: 3545200 25.4992 35.2816 3.12089 37.3577 -17.2859 -50.6911 4.99473 -52.9651 14.1794 TIMING: 3545200 CPU: 11202.9, 0.00314819/step Wall: 11202.9, 0.00314819/step, 1.27222 hours remaining, 235.597656 MB of memory in use. ENERGY: 3545200 3979.5013 20648.0397 14390.1370 225.5248 -203079.0998 2436.6531 0.0000 0.0000 52069.4327 -109329.8112 299.2437 -161399.2439 -108961.6703 299.2848 -261.3971 -232.1909 762190.9056 7.3007 7.4642 PRESSURE: 3545400 -378.301 -1.6819 256.653 -1.68229 -92.7907 -106.481 256.653 -106.481 -137.105 GPRESSURE: 3545400 -288.249 -25.5222 170.407 -87.3226 -34.6025 6.68543 153.69 -243.93 -216.721 PRESSAVG: 3545400 -9.11483 -66.9085 -15.1424 -66.9085 -29.8536 -12.7464 -15.1425 -12.7464 -8.0461 GPRESSAVG: 3545400 -8.50914 -66.607 -14.1979 -67.4622 -30.0765 -13.0693 -16.8798 -13.0346 -8.1492 TIMING: 3545400 CPU: 11203.5, 0.00313339/step Wall: 11203.5, 0.00313339/step, 1.26606 hours remaining, 235.597656 MB of memory in use. ENERGY: 3545400 4060.8905 20647.8980 14438.0797 226.1716 -203195.3661 2523.7263 0.0000 0.0000 51909.9756 -109388.6244 298.3273 -161298.6000 -109028.0507 299.5900 -202.7321 -179.8575 762030.3546 -15.6715 -15.5783 PRESSURE: 3545600 212.816 -96.2325 -43.8292 -96.232 -33.7202 -183.124 -43.8286 -183.125 -252.936 GPRESSURE: 3545600 259.439 -118.371 -82.7355 -27.42 -83.9376 -125.671 -34.9237 -175.825 -160.128 PRESSAVG: 3545600 -58.6691 -0.407532 3.62504 -0.407567 45.5038 9.45533 3.62499 9.45536 -22.4479 GPRESSAVG: 3545600 -58.664 0.528938 3.79359 1.03904 45.5504 9.43873 3.23397 9.33941 -22.9103 TIMING: 3545600 CPU: 11204.2, 0.00314559/step Wall: 11204.2, 0.00314559/step, 1.27082 hours remaining, 235.597656 MB of memory in use. ENERGY: 3545600 3968.2106 20756.4109 14437.6616 255.4586 -203387.7982 2546.9579 0.0000 0.0000 52097.0114 -109326.0871 299.4022 -161423.0985 -108982.7046 299.6446 -24.6133 5.1244 760896.1965 -11.8711 -12.0080 PRESSURE: 3545800 -63.5399 -143.102 265.579 -143.103 -154.868 19.165 265.579 19.165 -18.9642 GPRESSURE: 3545800 30.9448 -105.793 252.409 -182.096 -197.028 33.6106 174.321 -54.382 21.4396 PRESSAVG: 3545800 -39.9511 -5.08099 14.9547 -5.08093 67.6672 -31.7359 14.9547 -31.7359 3.32544 GPRESSAVG: 3545800 -40.2718 -5.71786 15.5894 -5.31122 67.96 -31.761 13.1498 -30.513 3.35621 TIMING: 3545800 CPU: 11204.8, 0.00316331/step Wall: 11204.8, 0.00316331/step, 1.2778 hours remaining, 235.597656 MB of memory in use. ENERGY: 3545800 4050.0222 20445.4263 14313.3859 255.1977 -202956.0282 2474.0693 0.0000 0.0000 52091.4339 -109326.4929 299.3702 -161417.9268 -108962.6170 299.6417 -79.1240 -48.2146 762755.5402 10.3472 10.3481 PRESSURE: 3546000 -95.538 157.299 35.5388 157.298 -259.722 -7.39493 35.539 -7.39417 -103.821 GPRESSURE: 3546000 -66.9685 52.4765 -10.7638 160.389 -249.608 34.1815 113.83 -100.29 -28.0405 PRESSAVG: 3546000 -24.395 3.20057 52.1251 3.2006 37.2563 -38.1558 52.1251 -38.1558 1.9406 GPRESSAVG: 3546000 -23.5432 2.29097 52.5128 3.35914 36.6008 -39.1611 54.3305 -40.0463 2.41755 TIMING: 3546000 CPU: 11205.4, 0.00317216/step Wall: 11205.4, 0.00317216/step, 1.2812 hours remaining, 235.597656 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: 3546000 3905.7839 20689.1416 14377.7284 241.5362 -202945.6986 2283.2049 0.0000 0.0000 51998.5676 -109449.7359 298.8365 -161448.3035 -109085.2533 299.5199 -153.0272 -114.8722 762099.7116 4.9340 5.1584 PRESSURE: 3546200 -264.655 203.409 8.06574 203.41 -122.31 226.084 8.06592 226.085 -86.6249 GPRESSURE: 3546200 -271.069 253.405 -26.2408 218.701 -200.574 145.126 -11.2963 276.995 81.853 PRESSAVG: 3546200 -55.7034 21.7336 22.9279 21.7336 10.86 -33.5871 22.9279 -33.5872 -6.63294 GPRESSAVG: 3546200 -58.2104 23.7505 22.8717 19.9018 11.905 -32.8993 21.5863 -31.7756 -6.25113 TIMING: 3546200 CPU: 11206.1, 0.00316104/step Wall: 11206.1, 0.00316104/step, 1.27653 hours remaining, 235.597656 MB of memory in use. ENERGY: 3546200 4081.3824 20639.6699 14445.5385 262.9184 -203614.0417 2696.8234 0.0000 0.0000 52019.6603 -109468.0489 298.9577 -161487.7092 -109108.9625 299.6133 -157.8632 -129.9300 761231.3027 -17.1588 -17.5188 PRESSURE: 3546400 192.682 -65.5644 19.7055 -65.5647 21.4345 -139.338 19.7059 -139.339 16.1766 GPRESSURE: 3546400 304.746 -124.125 86.5171 -24.9027 84.7225 -208.689 -140.086 -130.836 -69.812 PRESSAVG: 3546400 -27.1412 -2.6088 14.1813 -2.60883 48.1024 -51.8827 14.1813 -51.8827 3.63575 GPRESSAVG: 3546400 -25.507 -1.76044 13.2596 -2.90773 46.6531 -51.437 14.4985 -52.6569 3.59009 TIMING: 3546400 CPU: 11206.7, 0.0031633/step Wall: 11206.7, 0.0031633/step, 1.27727 hours remaining, 235.597656 MB of memory in use. ENERGY: 3546400 3987.8103 20777.4092 14477.2864 240.8946 -203697.8892 2774.0565 0.0000 0.0000 52090.3031 -109350.1289 299.3637 -161440.4320 -108992.8238 299.5965 76.7644 106.5522 760705.6384 8.1990 8.2454 PRESSURE: 3546600 -88.894 117.747 88.3227 117.746 -130.025 -69.5716 88.3228 -69.5707 21.4346 GPRESSURE: 3546600 -79.4326 55.5585 59.8609 105.216 -63.0509 -38.4154 128.664 9.76701 33.3685 PRESSAVG: 3546600 -21.8464 23.0917 7.78955 23.0917 15.6562 -14.3606 7.78951 -14.3606 -10.5748 GPRESSAVG: 3546600 -22.4263 21.4302 9.47604 22.4166 16.9654 -16.6868 6.9727 -13.1939 -11.581 TIMING: 3546600 CPU: 11207.3, 0.00315554/step Wall: 11207.3, 0.00315554/step, 1.27396 hours remaining, 235.597656 MB of memory in use. ENERGY: 3546600 4020.9961 20397.5190 14417.0985 223.0476 -203242.4972 2566.2024 0.0000 0.0000 52105.6237 -109512.0099 299.4517 -161617.6336 -109146.2877 299.5243 -65.8282 -36.3717 760936.3621 -5.5884 -5.6806 PRESSURE: 3546800 -134 -40.3942 12.2638 -40.3952 393.339 -81.6117 12.2646 -81.6108 403.616 GPRESSURE: 3546800 -125.887 -1.88594 -61.0327 -4.19784 510.804 -39.5616 -28.2314 -136.437 364.155 PRESSAVG: 3546800 16.1238 13.4529 35.7129 13.4529 -2.1583 -22.958 35.7129 -22.958 -2.59471 GPRESSAVG: 3546800 15.0555 15.1416 34.4138 14.7074 -2.68524 -20.9226 37.4706 -23.5919 -1.31198 TIMING: 3546800 CPU: 11207.9, 0.00315094/step Wall: 11207.9, 0.00315094/step, 1.27193 hours remaining, 235.597656 MB of memory in use. ENERGY: 3546800 4077.7439 20523.8755 14511.2380 257.9361 -203597.1808 2669.9047 0.0000 0.0000 51833.3835 -109723.0990 297.8872 -161556.4826 -109361.6423 299.0440 220.9854 249.6907 760596.0468 3.7903 3.6861 PRESSURE: 3547000 63.5489 86.6969 -110.367 86.6967 80.3734 227.553 -110.367 227.553 87.5183 GPRESSURE: 3547000 145.991 9.32293 -150.983 46.5044 54.8805 214.732 4.96617 166.25 115.644 PRESSAVG: 3547000 18.0419 40.4403 53.7938 40.4403 7.55292 0.910451 53.7938 0.91044 -0.457453 GPRESSAVG: 3547000 18.4619 38.6546 54.4076 41.2419 8.90634 0.884689 53.556 0.252625 -1.59771 TIMING: 3547000 CPU: 11208.6, 0.00313887/step Wall: 11208.6, 0.00313887/step, 1.26688 hours remaining, 235.597656 MB of memory in use. ENERGY: 3547000 3938.1487 20496.2085 14431.8115 249.2533 -203400.6140 2652.1773 0.0000 0.0000 51921.9969 -109711.0179 298.3964 -161633.0147 -109344.9845 298.8920 77.1469 105.5052 761280.9068 8.3791 8.5902 PRESSURE: 3547200 118.187 -79.6015 83.498 -79.6014 -166.098 12.5776 83.4978 12.5785 -203.838 GPRESSURE: 3547200 213.252 -59.178 30.8544 -76.2874 -160.385 128.407 68.8397 128.681 -212.096 PRESSAVG: 3547200 24.3771 39.8972 -7.40366 39.8972 -58.0521 -6.05006 -7.40367 -6.05002 8.17499 GPRESSAVG: 3547200 23.9004 42.4574 -8.09463 38.9861 -59.6504 -5.14231 -7.14612 -4.85213 9.42099 TIMING: 3547200 CPU: 11209.2, 0.00315989/step Wall: 11209.2, 0.00315989/step, 1.27519 hours remaining, 235.597656 MB of memory in use. ENERGY: 3547200 4024.6266 20412.5493 14480.4910 247.5369 -203809.3956 2780.5363 0.0000 0.0000 52146.4686 -109717.1867 299.6865 -161863.6554 -109340.9956 298.6667 -83.9163 -53.0765 760532.5347 -8.5000 -8.7763 PRESSURE: 3547400 35.8198 107.736 121.667 107.736 -79.3509 -8.48641 121.667 -8.48526 59.7298 GPRESSURE: 3547400 133.013 204.303 67.6705 59.1636 -40.3062 -73.1018 79.3336 -43.7759 4.13778 PRESSAVG: 3547400 47.2287 4.33325 10.2089 4.33327 -31.4091 38.5191 10.2089 38.5191 17.3253 GPRESSAVG: 3547400 47.5957 1.9107 10.0998 4.819 -31.6541 37.8243 9.07545 38.4972 17.1388 TIMING: 3547400 CPU: 11209.8, 0.00317533/step Wall: 11209.8, 0.00317533/step, 1.28125 hours remaining, 235.597656 MB of memory in use. ENERGY: 3547400 3993.7488 20387.3158 14346.6774 271.9542 -203527.0304 2635.5047 0.0000 0.0000 52027.1682 -109864.6613 299.0009 -161891.8295 -109503.6576 299.1060 5.3996 32.2816 761388.2557 11.0483 11.0268 PRESSURE: 3547600 -127.918 172.757 134.259 172.756 -85.8118 -98.4002 134.26 -98.3997 -231.891 GPRESSURE: 3547600 -34.8281 237.699 116.499 159.635 -87.9476 -122.88 43.0528 -26.4557 -244.244 PRESSAVG: 3547600 9.73845 -34.5302 -16.7117 -34.5302 -61.3117 3.20633 -16.7117 3.20626 -14.5156 GPRESSAVG: 3547600 10.0611 -34.1066 -16.1765 -34.9833 -61.4605 3.37284 -17.1149 2.96744 -14.8427 TIMING: 3547600 CPU: 11210.5, 0.00315355/step Wall: 11210.5, 0.00315355/step, 1.27228 hours remaining, 235.597656 MB of memory in use. ENERGY: 3547600 3990.7664 20545.4787 14422.5322 248.4337 -203289.2724 2353.9977 0.0000 0.0000 51979.9693 -109748.0945 298.7296 -161728.0638 -109383.7310 298.8998 -148.5403 -122.3398 760328.7052 -22.0296 -22.0807 PRESSURE: 3547800 -66.5031 -127.401 -51.198 -127.4 180.171 -1.82954 -51.1977 -1.82851 -457.495 GPRESSURE: 3547800 -45.6161 -93.6173 -92.2008 -165.146 177.668 38.771 -75.3186 -27.6973 -390.238 PRESSAVG: 3547800 -5.03613 14.5358 -6.7574 14.5357 -8.01518 -5.28116 -6.75741 -5.28125 4.08503 GPRESSAVG: 3547800 -5.54634 16.1454 -7.0321 14.7994 -8.35604 -5.52463 -6.61194 -5.69567 4.86812 TIMING: 3547800 CPU: 11211.1, 0.00317586/step Wall: 11211.1, 0.00317586/step, 1.28111 hours remaining, 235.597656 MB of memory in use. ENERGY: 3547800 3983.2230 20432.8512 14476.9600 240.0982 -203467.7424 2651.6158 0.0000 0.0000 52030.7594 -109652.2348 299.0215 -161682.9942 -109284.1029 298.6601 -114.6089 -86.0620 761718.8639 -2.9888 -3.0114 PRESSURE: 3548000 47.6654 155.245 262.325 155.246 -43.1211 -97.7651 262.325 -97.7656 -84.046 GPRESSURE: 3548000 140.362 122.715 258.192 -2.69594 -50.6338 -6.14024 275.03 -172.918 -79.0205 PRESSAVG: 3548000 15.5066 -28.3934 18.8651 -28.3934 -8.67496 38.7924 18.865 38.7923 -13.4316 GPRESSAVG: 3548000 15.4508 -28.2986 18.0913 -29.7612 -7.42528 39.693 19.1069 39.7073 -14.5614 TIMING: 3548000 CPU: 11211.7, 0.00317591/step Wall: 11211.7, 0.00317591/step, 1.28095 hours remaining, 235.597656 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: 3548000 3947.6835 20513.4225 14399.2812 231.8906 -203050.4648 2372.2630 0.0000 0.0000 52080.7856 -109505.1385 299.3090 -161585.9241 -109146.0123 298.8696 -26.5006 3.5692 762210.0788 -2.2000 -2.1786 PRESSURE: 3548200 -58.4842 31.5808 -74.4344 31.5807 -165.557 -412.713 -74.4347 -412.715 279.616 GPRESSURE: 3548200 -53.1939 21.0629 -26.1745 47.2811 -90.9552 -286.362 -78.4558 -338.559 311.12 PRESSAVG: 3548200 -1.81919 -15.7612 2.07902 -15.7611 4.89504 -1.1203 2.07901 -1.12037 21.8426 GPRESSAVG: 3548200 -1.52589 -17.534 3.43763 -14.6898 3.25647 -0.0182633 1.87713 -4.16997 22.6473 TIMING: 3548200 CPU: 11212.4, 0.00315067/step Wall: 11212.4, 0.00315067/step, 1.2706 hours remaining, 235.597656 MB of memory in use. ENERGY: 3548200 3922.9317 20549.8401 14494.3731 247.5429 -203275.1702 2453.9532 0.0000 0.0000 52246.7561 -109359.7730 300.2628 -161606.5291 -109000.1078 298.8790 18.5249 55.6568 761416.0171 8.3062 8.1260 LDB: ============= START OF LOAD BALANCING ============== 11224.9 LDB: ============== END OF LOAD BALANCING =============== 11224.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11224.9 LDB: ============= START OF LOAD BALANCING ============== 11225.2 LDB: Largest compute 7027 load 0.032020 is 16.4% of average load 0.195544 LDB: Average compute 0.004385 is 2.2% of average load 0.195544 LDB: TIME 11225.2 LOAD: AVG 0.195544 MAX 0.214677 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.816 MB LDB: TIME 11225.2 LOAD: AVG 0.195544 MAX 0.214677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 11225.2 LOAD: AVG 0.195544 MAX 0.214677 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 11225.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11225.2 PRESSURE: 3548400 68.5824 141.473 105.34 141.472 -176.726 -262.114 105.34 -262.115 471.132 GPRESSURE: 3548400 122.972 30.7902 47.7524 145.194 -134.242 -347.942 -7.05476 -273.151 460.732 PRESSAVG: 3548400 -7.75484 48.1523 41.0004 48.1523 -35.0002 -17.3691 41.0004 -17.3691 10.0642 GPRESSAVG: 3548400 -7.62566 48.4434 41.0991 47.9471 -35.0638 -20.7175 39.3953 -14.093 9.74036 TIMING: 3548400 CPU: 11213, 0.00322062/step Wall: 11213, 0.00322062/step, 1.29862 hours remaining, 234.882812 MB of memory in use. ENERGY: 3548400 3972.9490 20494.1729 14472.3162 244.9464 -203151.9783 2440.1932 0.0000 0.0000 52036.9407 -109490.4600 299.0570 -161527.4007 -109122.4644 299.2612 120.9961 149.8206 762067.3508 -10.8970 -10.9830 PRESSURE: 3548600 96.6903 -54.8524 191.597 -54.853 -151.621 -127.298 191.596 -127.297 38.6249 GPRESSURE: 3548600 132.737 0.961193 97.7102 -94.9256 -102.84 -114.983 157.726 -113.513 40.3819 PRESSAVG: 3548600 16.7184 -12.1077 20.3375 -12.1077 -54.3785 -29.1185 20.3375 -29.1184 2.93354 GPRESSAVG: 3548600 16.5054 -10.2269 19.9051 -12.6435 -52.9854 -27.2098 20.6955 -29.6625 1.66936 TIMING: 3548600 CPU: 11213.6, 0.00315249/step Wall: 11213.6, 0.00315249/step, 1.27098 hours remaining, 235.398438 MB of memory in use. ENERGY: 3548600 3965.1173 20553.7836 14417.8213 255.3296 -203552.9820 2645.1653 0.0000 0.0000 52375.3102 -109340.4546 301.0016 -161715.7649 -108982.5722 299.0611 -5.4352 23.4263 760816.6177 -11.5755 -11.6036 PRESSURE: 3548800 -336.787 -14.915 -93.3305 -14.9154 -27.9773 -31.3366 -93.3306 -31.338 -112.128 GPRESSURE: 3548800 -244.861 -72.9906 -158.246 -24.7589 -92.286 10.0344 -32.7756 -119.364 -65.8287 PRESSAVG: 3548800 22.1845 6.10433 27.9201 6.10433 -34.8683 -10.5719 27.9201 -10.5718 5.21842 GPRESSAVG: 3548800 21.2977 2.88872 28.2208 8.40981 -35.4812 -11.3494 29.6133 -11.0912 6.42208 TIMING: 3548800 CPU: 11214.3, 0.00314905/step Wall: 11214.3, 0.00314905/step, 1.26942 hours remaining, 235.398438 MB of memory in use. ENERGY: 3548800 3962.3745 20629.6471 14468.9355 248.3425 -203106.0118 2439.8786 0.0000 0.0000 51887.3971 -109469.4365 298.1976 -161356.8336 -109106.9775 299.9090 -158.9641 -134.3253 760823.4463 -2.4885 -2.5872 PRESSURE: 3549000 -32.5954 -171.395 180.315 -171.395 241.283 -2.97416 180.314 -2.97462 -11.8667 GPRESSURE: 3549000 27.6534 -105.057 177.898 -158.377 170.885 -3.68689 221.316 -50.2062 87.3922 PRESSAVG: 3549000 -4.26295 -24.8199 19.4587 -24.8199 -14.931 -60.1266 19.4586 -60.1266 12.6778 GPRESSAVG: 3549000 -2.86567 -23.1633 20.9118 -28.0865 -15.3414 -59.945 17.5006 -58.4853 12.7364 TIMING: 3549000 CPU: 11214.9, 0.00316059/step Wall: 11214.9, 0.00316059/step, 1.27389 hours remaining, 235.398438 MB of memory in use. ENERGY: 3549000 3906.5875 20570.5539 14430.5336 263.3578 -203200.3056 2493.7363 0.0000 0.0000 52105.8296 -109429.7068 299.4529 -161535.5364 -109065.1891 299.5117 65.6068 95.3104 762456.7153 -2.1720 -1.8236 PRESSURE: 3549200 80.5982 37.6867 -228.396 37.6859 -259.152 -18.357 -228.395 -18.3585 111.582 GPRESSURE: 3549200 179.125 34.5206 -262.242 -0.112044 -194.404 -1.30448 -48.5099 -16.3829 32.2401 PRESSAVG: 3549200 0.590674 -18.7516 30.7724 -18.7516 8.4322 -0.359518 30.7723 -0.359554 8.45533 GPRESSAVG: 3549200 0.870655 -17.8494 29.807 -16.9372 8.68606 -0.842068 32.7138 -2.58451 7.18465 TIMING: 3549200 CPU: 11215.5, 0.0031558/step Wall: 11215.5, 0.0031558/step, 1.27179 hours remaining, 235.414062 MB of memory in use. ENERGY: 3549200 3981.1209 20230.1809 14526.8724 265.1763 -203269.4805 2597.7827 0.0000 0.0000 51930.8615 -109737.4858 298.4474 -161668.3473 -109372.2764 298.8359 -22.3238 5.6540 763438.9778 5.8261 5.5805 PRESSURE: 3549400 -144.173 238.486 -53.0991 238.486 -211.157 -110.912 -53.0989 -110.911 245.321 GPRESSURE: 3549400 -249.867 189.684 -53.7112 200.254 -33.992 -108.715 -131.233 -178.817 281.112 PRESSAVG: 3549400 29.7112 -41.5952 -20.8167 -41.5952 5.93285 -43.3844 -20.8167 -43.3844 -5.3848 GPRESSAVG: 3549400 28.9494 -42.8884 -21.9141 -42.5232 6.23715 -43.5807 -20.3915 -43.076 -4.56619 TIMING: 3549400 CPU: 11216.2, 0.00314721/step Wall: 11216.2, 0.00314721/step, 1.26815 hours remaining, 235.414062 MB of memory in use. ENERGY: 3549400 3925.6319 20503.3929 14427.3957 234.2989 -203158.1414 2561.4633 0.0000 0.0000 51774.8322 -109731.1266 297.5507 -161505.9588 -109373.6005 298.9726 -36.6697 -0.9156 761042.5334 10.0864 10.2068 PRESSURE: 3549600 -272.31 131.837 315.566 131.838 -70.0202 -90.2053 315.565 -90.205 23.1529 GPRESSURE: 3549600 -191.228 1.89522 222.76 67.5667 -80.4746 -54.691 317.084 31.5461 35.4816 PRESSAVG: 3549600 -6.2517 -10.841 59.5839 -10.841 43.567 12.3481 59.5839 12.3481 -7.38013 GPRESSAVG: 3549600 -5.09468 -11.2227 58.8025 -11.5632 43.2872 12.3725 58.7538 12.7942 -8.23333 TIMING: 3549600 CPU: 11216.8, 0.00314119/step Wall: 11216.8, 0.00314119/step, 1.26555 hours remaining, 235.414062 MB of memory in use. ENERGY: 3549600 3862.2162 20575.2521 14416.9363 229.5999 -203521.0275 2550.2522 0.0000 0.0000 52169.9927 -109716.7781 299.8217 -161886.7708 -109358.3474 298.5551 -106.3926 -78.7402 760955.3582 9.9784 9.9864 PRESSURE: 3549800 -456.585 8.38419 -374.449 8.38291 -131.953 -69.9869 -374.448 -69.9873 -342 GPRESSURE: 3549800 -438.862 -77.9212 -352.84 59.4116 -73.324 -95.5709 -343.71 18.4582 -319.555 PRESSAVG: 3549800 -43.6953 7.96489 17.7993 7.96488 28.956 -12.1463 17.7992 -12.1463 -13.9188 GPRESSAVG: 3549800 -45.1801 8.45193 19.594 8.48052 29.2388 -11.3705 19.3873 -9.52398 -12.5683 TIMING: 3549800 CPU: 11217.4, 0.00314407/step Wall: 11217.4, 0.00314407/step, 1.26654 hours remaining, 235.414062 MB of memory in use. ENERGY: 3549800 3967.3695 20412.4322 14443.4518 243.2058 -203244.8135 2490.6399 0.0000 0.0000 51900.5431 -109787.1712 298.2731 -161687.7144 -109419.7496 298.2695 -310.1794 -277.2471 762372.6929 -9.5527 -9.5032 PRESSURE: 3550000 -259.177 -49.3029 173.546 -49.3031 78.4504 101.937 173.546 101.937 185.998 GPRESSURE: 3550000 -149.808 1.61371 235.009 -28.2065 121.968 125.229 31.2261 29.397 113.418 PRESSAVG: 3550000 2.50473 -66.731 32.2493 -66.731 -33.8539 -23.21 32.2493 -23.21 -14.2147 GPRESSAVG: 3550000 3.55101 -66.0685 33.0944 -66.346 -33.8698 -23.249 28.5376 -26.6474 -15.0231 TIMING: 3550000 CPU: 11218.1, 0.00316818/step Wall: 11218.1, 0.00316818/step, 1.27607 hours remaining, 235.414062 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: 3550000 3967.2027 20452.9415 14488.8121 248.1773 -203422.6009 2596.7126 0.0000 0.0000 51899.1167 -109769.6381 298.2649 -161668.7547 -109410.2355 298.4136 1.7574 28.5260 759782.3627 -15.1879 -15.1139 PRESSURE: 3550200 -212.09 162.605 -67.3156 162.607 -129.327 -54.9689 -67.3151 -54.9679 -35.487 GPRESSURE: 3550200 -303.852 134.515 -40.4351 95.6576 -8.38757 50.2461 36.9588 4.31834 21.0824 PRESSAVG: 3550200 10.5501 -13.058 -0.195062 -13.058 -11.2794 36.1154 -0.195011 36.1153 11.1153 GPRESSAVG: 3550200 9.84393 -13.2214 -0.509724 -12.8309 -9.85232 36.4177 0.645963 36.0507 10.3364 TIMING: 3550200 CPU: 11218.7, 0.00314633/step Wall: 11218.7, 0.00314633/step, 1.2671 hours remaining, 235.414062 MB of memory in use. ENERGY: 3550200 3922.6814 20545.1927 14496.5263 249.5155 -203180.2862 2448.8916 0.0000 0.0000 51758.5559 -109758.9228 297.4571 -161517.4787 -109396.8761 298.6134 -125.6346 -97.0523 760255.0378 3.4620 3.4427 PRESSURE: 3550400 361.047 116.972 92.213 116.971 -126.625 24.0443 92.2122 24.0444 -218.073 GPRESSURE: 3550400 402.34 95.3528 189.367 252.499 -77.5217 -11.2899 -70.3749 54.5006 -220.03 PRESSAVG: 3550400 -8.92392 -15.0267 -33.3707 -15.0266 -35.982 -0.606691 -33.3707 -0.606766 -21.1307 GPRESSAVG: 3550400 -7.95921 -15.9259 -33.2611 -15.5758 -37.2694 -1.61534 -32.2652 1.53753 -21.5034 TIMING: 3550400 CPU: 11219.3, 0.00313853/step Wall: 11219.3, 0.00313852/step, 1.26378 hours remaining, 235.414062 MB of memory in use. ENERGY: 3550400 3912.2419 20463.2085 14441.1136 234.8707 -203396.1543 2737.1326 0.0000 0.0000 51807.7024 -109799.8846 297.7396 -161607.5870 -109424.8678 298.1857 5.4495 34.9295 760400.1962 -22.0122 -22.2440 PRESSURE: 3550600 -20.5475 186.824 -42.6519 186.825 18.1857 19.8526 -42.6521 19.8523 -248.115 GPRESSURE: 3550600 -21.3319 49.8611 8.03827 243.261 32.7312 127.291 17.7397 31.4902 -183.987 PRESSAVG: 3550600 35.8613 -23.586 1.47409 -23.586 10.1981 -31.1401 1.47411 -31.1401 -4.27786 GPRESSAVG: 3550600 34.1109 -21.8895 1.37094 -25.2675 11.5871 -29.8319 0.770225 -32.2356 -3.60585 TIMING: 3550600 CPU: 11220, 0.00317763/step Wall: 11220, 0.00317763/step, 1.27935 hours remaining, 235.414062 MB of memory in use. ENERGY: 3550600 4001.5626 20462.2712 14417.2333 243.1159 -203079.1270 2383.0613 0.0000 0.0000 51749.7918 -109822.0909 297.4068 -161571.8827 -109467.1757 298.3793 -83.4922 -57.5292 760274.8219 13.9272 14.0307 PRESSURE: 3550800 -288.55 139.237 112.91 139.237 -273.917 -41.0887 112.91 -41.0882 -374.723 GPRESSURE: 3550800 -334.428 35.0148 115.931 80.357 -276.931 61.7431 -12.4347 -78.8809 -252.102 PRESSAVG: 3550800 -2.07242 25.8354 -11.3277 25.8354 1.75889 -33.0648 -11.3278 -33.0648 -18.3711 GPRESSAVG: 3550800 -0.613812 25.2238 -10.5273 26.5739 -1.37273 -32.9191 -10.3797 -32.227 -17.0588 TIMING: 3550800 CPU: 11220.6, 0.00315544/step Wall: 11220.6, 0.00315544/step, 1.27024 hours remaining, 235.414062 MB of memory in use. ENERGY: 3550800 3972.6255 20499.7661 14388.3929 236.4069 -203031.9692 2271.2342 0.0000 0.0000 51832.2726 -109831.2710 297.8808 -161663.5436 -109478.6190 298.1767 -312.3966 -287.8201 763051.5989 -6.2282 -6.3484 PRESSURE: 3551000 -198.203 -33.5411 84.9035 -33.5402 -243.467 44.4611 84.9032 44.4612 283.392 GPRESSURE: 3551000 -78.7514 64.4785 68.1011 -53.6322 -100.954 -45.5824 -44.2115 9.32028 117.42 PRESSAVG: 3551000 -3.95191 -15.2689 38.2517 -15.2689 12.6717 -53.1764 38.2517 -53.1764 -12.205 GPRESSAVG: 3551000 -5.05092 -13.4037 35.5731 -17.0692 13.9315 -53.1768 38.2398 -54.947 -13.2789 TIMING: 3551000 CPU: 11221.2, 0.00314591/step Wall: 11221.2, 0.00314591/step, 1.26623 hours remaining, 235.414062 MB of memory in use. ENERGY: 3551000 3910.4849 20456.4693 14379.1562 245.5374 -202860.4038 2364.1831 0.0000 0.0000 52073.2688 -109431.3042 299.2658 -161504.5729 -109067.5311 298.5530 -52.7591 -20.7619 760970.1529 -1.1618 -1.4661 PRESSURE: 3551200 -14.1978 -153.492 -305.931 -153.492 -170.449 -28.6545 -305.93 -28.6534 7.56268 GPRESSURE: 3551200 -8.50789 -252.549 -259.075 -61.1424 -137.338 -9.95587 -210.45 21.0303 57.0179 PRESSAVG: 3551200 3.10332 -35.152 70.7026 -35.1519 24.4115 -52.7179 70.7027 -52.7179 -15.3888 GPRESSAVG: 3551200 3.27937 -38.0761 72.3739 -31.4775 24.5387 -52.5709 70.407 -51.4141 -15.1036 TIMING: 3551200 CPU: 11221.8, 0.00314336/step Wall: 11221.8, 0.00314336/step, 1.26503 hours remaining, 235.414062 MB of memory in use. ENERGY: 3551200 3969.0975 20538.0506 14435.6444 236.1833 -203036.6504 2330.2041 0.0000 0.0000 51795.3508 -109732.1196 297.6686 -161527.4704 -109372.4949 298.7989 -59.0281 -29.6092 758784.1704 4.0420 4.2381 PRESSURE: 3551400 -96.151 103.621 -223.944 103.62 66.9131 -138.665 -223.944 -138.665 -40.6418 GPRESSURE: 3551400 -54.474 73.0661 -251.272 20.4707 122.209 -169.886 -339.664 -75.5748 -26.7759 PRESSAVG: 3551400 7.86245 -28.1542 14.6876 -28.1542 -8.8086 -20.6158 14.6876 -20.6158 -34.84 GPRESSAVG: 3551400 6.97147 -27.3356 14.4576 -29.0224 -7.58562 -22.2878 14.5057 -20.4714 -34.7586 TIMING: 3551400 CPU: 11222.5, 0.00314051/step Wall: 11222.5, 0.00314051/step, 1.26371 hours remaining, 235.414062 MB of memory in use. ENERGY: 3551400 3979.4619 20385.3114 14414.1865 248.7679 -203004.3098 2367.3827 0.0000 0.0000 52005.5669 -109603.6324 298.8767 -161609.1994 -109243.2753 298.5347 -23.2932 13.6529 760872.3241 -11.9287 -11.7909 PRESSURE: 3551600 114.291 88.8284 -1.58894 88.8294 -7.2671 -101.39 -1.58906 -101.39 -175.938 GPRESSURE: 3551600 134.203 71.4249 79.5376 78.9457 79.0545 -66.2732 -44.553 -65.0909 -211.484 PRESSAVG: 3551600 1.67952 59.6886 -24.3951 59.6886 7.18743 -27.5554 -24.3952 -27.5555 19.2811 GPRESSAVG: 3551600 1.99703 59.8478 -24.0334 57.8029 6.03636 -26.3018 -23.4368 -28.2706 19.6475 TIMING: 3551600 CPU: 11223.1, 0.00312899/step Wall: 11223.1, 0.00312899/step, 1.2589 hours remaining, 235.414062 MB of memory in use. ENERGY: 3551600 3975.2143 20347.0840 14478.7357 239.3786 -203281.5622 2409.7714 0.0000 0.0000 52112.9833 -109718.3949 299.4940 -161831.3782 -109352.1723 299.1326 -22.9714 0.5913 760841.1505 9.3827 9.2270 PRESSURE: 3551800 -177.333 24.6958 -55.8865 24.6959 75.3461 -206.937 -55.8866 -206.936 -295.763 GPRESSURE: 3551800 28.7705 45.1695 -1.61076 -98.8665 -29.9926 -226.835 -44.1241 -41.2161 -315.082 PRESSAVG: 3551800 -13.7513 -6.50737 -1.32433 -6.50741 10.1393 -1.89878 -1.32427 -1.8988 -20.6493 GPRESSAVG: 3551800 -14.3726 -6.27179 -3.56855 -3.00326 10.3019 -4.92312 -1.84661 -0.181831 -20.5689 TIMING: 3551800 CPU: 11223.7, 0.00313916/step Wall: 11223.7, 0.00313916/step, 1.26282 hours remaining, 235.414062 MB of memory in use. ENERGY: 3551800 3927.7408 20388.8183 14416.6376 247.7989 -202997.4004 2219.2062 0.0000 0.0000 52058.0725 -109739.1260 299.1785 -161797.1985 -109374.6245 298.8522 -132.5835 -105.4348 761961.0853 -8.0871 -8.2132 PRESSURE: 3552000 397.019 75.9066 -82.9705 75.9061 349.535 -109.933 -82.9713 -109.932 14.6653 GPRESSURE: 3552000 409.304 87.106 -69.9142 93.7571 360.777 -14.4667 -31.8847 -73.5987 59.5799 PRESSAVG: 3552000 34.1682 19.7109 43.1614 19.7109 -21.0721 -3.77118 43.1615 -3.77118 11.0561 GPRESSAVG: 3552000 34.1181 19.8749 46.3923 15.9436 -21.6505 -2.22107 43.2913 -4.72969 11.7611 TIMING: 3552000 CPU: 11224.4, 0.00314976/step Wall: 11224.4, 0.00314976/step, 1.2669 hours remaining, 235.414062 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: 3552000 3990.4669 20402.8963 14496.2904 238.2235 -204116.8056 3253.4019 0.0000 0.0000 51967.2653 -109768.2614 298.6566 -161735.5267 -109410.0399 298.5173 253.7399 276.5536 759401.6163 8.0508 8.0762 PRESSURE: 3552200 -152.31 -28.9471 -153.576 -28.9467 -87.5625 -194.423 -153.576 -194.424 -455.417 GPRESSURE: 3552200 -150.388 43.6791 -154.592 -1.64984 -43.5062 -213.19 -108.369 -237.747 -413.703 PRESSAVG: 3552200 -33.2181 20.4802 64.2012 20.4802 34.76 -5.09662 64.2012 -5.09669 -0.279824 GPRESSAVG: 3552200 -33.0787 22.2893 63.4919 21.4484 35.1949 -5.35242 63.9499 -5.72543 -0.654694 TIMING: 3552200 CPU: 11225, 0.0031494/step Wall: 11225, 0.0031494/step, 1.26659 hours remaining, 235.414062 MB of memory in use. ENERGY: 3552200 4049.7758 20432.9703 14425.9624 256.4863 -203227.4983 2309.5500 0.0000 0.0000 51912.4505 -109840.3030 298.3416 -161752.7535 -109469.3129 298.5318 -231.7633 -202.5322 759774.8103 0.4207 0.4872 LDB: ============= START OF LOAD BALANCING ============== 11237.5 LDB: ============== END OF LOAD BALANCING =============== 11237.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11237.5 LDB: ============= START OF LOAD BALANCING ============== 11237.8 LDB: Largest compute 7027 load 0.034186 is 17.5% of average load 0.195630 LDB: Average compute 0.004369 is 2.2% of average load 0.195630 LDB: TIME 11237.8 LOAD: AVG 0.19563 MAX 0.212945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 11237.8 LOAD: AVG 0.19563 MAX 0.212945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: TIME 11237.8 LOAD: AVG 0.19563 MAX 0.212945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: ============== END OF LOAD BALANCING =============== 11237.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11237.8 PRESSURE: 3552400 -123.031 -50.8208 35.0739 -50.8208 -118.288 222.032 35.0733 222.031 -435.583 GPRESSURE: 3552400 -104.66 -170.677 88.4546 -3.312 -26.1131 184.843 25.2043 135.394 -453.782 PRESSAVG: 3552400 -1.38426 11.1615 30.4596 11.1614 22.9578 -9.03382 30.4596 -9.03382 25.4742 GPRESSAVG: 3552400 -0.936623 9.24551 29.2549 12.7418 23.7267 -9.46436 31.8925 -11.5922 24.4367 TIMING: 3552400 CPU: 11225.6, 0.00321106/step Wall: 11225.6, 0.00321106/step, 1.2912 hours remaining, 236.898438 MB of memory in use. ENERGY: 3552400 3967.2167 20424.1791 14416.5017 248.3516 -202983.6219 2186.1475 0.0000 0.0000 51965.0616 -109776.1636 298.6439 -161741.2252 -109409.6188 298.8227 -225.6341 -194.8516 760818.7129 15.6826 15.7422 PRESSURE: 3552600 -3.73096 -69.9979 106.451 -69.9979 -156.531 -120.854 106.451 -120.854 317.963 GPRESSURE: 3552600 -45.4202 -24.0614 158.289 -4.92511 -56.6669 -116.438 130.334 -129.166 323.459 PRESSAVG: 3552600 -49.8418 7.69563 42.6633 7.69557 8.28998 32.0188 42.6633 32.0187 17.7721 GPRESSAVG: 3552600 -49.8754 6.52888 43.1559 9.66158 7.90041 34.4897 43.0374 33.2045 17.8735 TIMING: 3552600 CPU: 11226.3, 0.00314757/step Wall: 11226.3, 0.00314757/step, 1.2655 hours remaining, 236.968750 MB of memory in use. ENERGY: 3552600 3970.3610 20545.9438 14395.1008 255.1051 -203323.6326 2519.4988 0.0000 0.0000 51988.4978 -109649.1255 298.7786 -161637.6233 -109278.8555 298.6596 52.5672 73.7906 759788.5704 -7.9266 -8.0338 PRESSURE: 3552800 -67.6689 40.6895 111.599 40.6889 -270.703 121.692 111.599 121.693 -414.951 GPRESSURE: 3552800 -66.3287 58.472 86.7541 5.25091 -149.432 88.4699 83.4718 120.731 -442.507 PRESSAVG: 3552800 -19.9508 32.6273 21.7534 32.6273 34.8612 26.8178 21.7534 26.8179 17.1812 GPRESSAVG: 3552800 -20.4078 35.248 21.65 29.5124 35.0745 24.6619 21.016 27.8846 17.2588 TIMING: 3552800 CPU: 11226.9, 0.00313786/step Wall: 11226.9, 0.00313786/step, 1.26142 hours remaining, 236.968750 MB of memory in use. ENERGY: 3552800 4021.5509 20484.2085 14398.4841 240.5281 -203414.5225 2592.5788 0.0000 0.0000 52251.1429 -109426.0292 300.2880 -161677.1721 -109066.2483 299.4930 -251.1078 -219.4225 760551.0448 10.6972 10.6418 PRESSURE: 3553000 -64.9479 36.6558 100.195 36.6551 -68.6178 13.9076 100.195 13.9083 -1.3452 GPRESSURE: 3553000 -134.643 -17.9356 91.1763 -70.4872 42.0944 32.2306 127.576 26.045 38.1142 PRESSAVG: 3553000 2.53519 -47.9691 -1.14946 -47.9692 30.7693 -7.85596 -1.14952 -7.85588 -9.84681 GPRESSAVG: 3553000 2.5646 -49.8862 -0.678367 -46.8062 30.113 -7.99179 -3.19424 -7.00882 -9.12347 TIMING: 3553000 CPU: 11227.5, 0.00313477/step Wall: 11227.5, 0.00313477/step, 1.26 hours remaining, 236.968750 MB of memory in use. ENERGY: 3553000 3967.9125 20555.4613 14387.2009 259.0171 -203388.0635 2667.9071 0.0000 0.0000 52140.4806 -109410.0840 299.6521 -161550.5647 -109047.0202 299.5168 -44.9703 -18.1449 761647.1973 7.8192 7.8514 PRESSURE: 3553200 123.57 267.317 -46.973 267.317 36.4455 270.841 -46.9722 270.842 -173.377 GPRESSURE: 3553200 164.292 230.737 -85.3083 213.028 25.3657 248.24 -37.6222 116.612 -120.349 PRESSAVG: 3553200 21.4812 1.81492 13.6679 1.81488 3.23994 40.1157 13.6679 40.1157 -8.37767 GPRESSAVG: 3553200 21.3823 3.28236 11.6824 -0.799585 4.16766 39.5022 16.7296 39.2688 -9.23048 TIMING: 3553200 CPU: 11228.1, 0.00315322/step Wall: 11228.1, 0.00315322/step, 1.26724 hours remaining, 236.968750 MB of memory in use. ENERGY: 3553200 3938.6013 20699.3838 14493.3514 258.9203 -203451.8934 2535.9000 0.0000 0.0000 52063.8904 -109461.8462 299.2119 -161525.7366 -109107.3075 299.1128 -4.4537 23.1030 758833.8695 5.4478 5.4398 PRESSURE: 3553400 185.859 -90.6987 122.823 -90.6997 -102.737 -275.057 122.822 -275.057 56.4054 GPRESSURE: 3553400 325.651 -30.8555 115.652 -234.113 -86.8965 -299.035 200.825 -240.624 13.4908 PRESSAVG: 3553400 -0.156641 33.8338 40.0942 33.8337 -41.4284 35.8011 40.0941 35.8011 -0.976532 GPRESSAVG: 3553400 0.375455 34.5254 41.5046 34.5218 -41.6604 36.2658 38.0038 37.5326 -0.681964 TIMING: 3553400 CPU: 11228.8, 0.00316017/step Wall: 11228.8, 0.00316017/step, 1.26986 hours remaining, 236.968750 MB of memory in use. ENERGY: 3553400 3942.9859 20574.3645 14417.1732 235.0108 -203242.6927 2581.2380 0.0000 0.0000 51856.9764 -109634.9439 298.0228 -161491.9203 -109283.5992 299.1569 46.5090 84.0818 760577.0238 -14.1872 -13.9890 PRESSURE: 3553600 50.7265 -111.882 107.45 -111.881 -146.185 -190.161 107.45 -190.162 251.485 GPRESSURE: 3553600 84.361 -207.121 172.273 8.95202 -79.0341 -51.4533 32.6408 -246.187 225.233 PRESSAVG: 3553600 -10.0505 15.1776 40.7749 15.1776 18.5864 2.09149 40.7749 2.09141 13.176 GPRESSAVG: 3553600 -10.8643 14.1991 41.1045 17.0747 19.5391 1.08777 43.0655 0.560029 12.9039 TIMING: 3553600 CPU: 11229.4, 0.00317795/step Wall: 11229.4, 0.00317795/step, 1.27683 hours remaining, 236.968750 MB of memory in use. ENERGY: 3553600 4061.7570 20582.1314 14479.9863 254.4383 -203503.1409 2809.3452 0.0000 0.0000 51958.7857 -109356.6970 298.6079 -161315.4828 -108986.8926 299.1611 52.0088 76.8532 760988.9629 7.2373 7.1929 PRESSURE: 3553800 240.822 91.3435 -31.7827 91.3431 -359.186 211.991 -31.7821 211.99 -177.047 GPRESSURE: 3553800 193.335 72.3684 -106.016 -87.1765 -317.97 189.007 82.6226 137.541 -72.0329 PRESSAVG: 3553800 95.2437 -10.5098 -6.26463 -10.5098 -100.752 -10.1091 -6.26457 -10.1091 -2.83 GPRESSAVG: 3553800 96.1582 -12.3917 -5.86518 -10.5368 -101.067 -9.44678 -7.27132 -8.44392 -2.93401 TIMING: 3553800 CPU: 11230, 0.00317511/step Wall: 11230, 0.00317511/step, 1.27551 hours remaining, 236.968750 MB of memory in use. ENERGY: 3553800 4065.0653 20528.2625 14404.9327 239.1792 -203109.7350 2376.4063 0.0000 0.0000 52198.8482 -109297.0407 299.9875 -161495.8889 -108938.8637 299.7871 -98.4701 -65.5560 761915.4032 -2.7795 -2.6144 PRESSURE: 3554000 246.76 201.978 -11.355 201.978 424.043 -179.199 -11.3544 -179.2 88.8683 GPRESSURE: 3554000 235.514 86.9248 -51.3965 186.274 489.542 -96.4548 -54.6686 -287.12 116.602 PRESSAVG: 3554000 -3.1582 48.9536 31.9669 48.9536 -12.3788 -36.5257 31.9669 -36.5256 8.6538 GPRESSAVG: 3554000 -4.07822 52.8834 30.6006 44.6397 -12.3156 -36.0384 31.6468 -37.7986 9.88657 TIMING: 3554000 CPU: 11230.7, 0.00314634/step Wall: 11230.7, 0.00314634/step, 1.26378 hours remaining, 236.968750 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: 3554000 3984.0337 20569.3367 14398.2052 251.8845 -203294.6359 2802.8678 0.0000 0.0000 52035.6789 -109252.6292 299.0498 -161288.3081 -108887.2996 300.0408 253.2238 280.5529 761217.1142 -2.2944 -2.1691 PRESSURE: 3554200 21.7381 -51.8405 -4.34266 -51.841 -115.498 45.4905 -4.34274 45.4895 97.4607 GPRESSURE: 3554200 76.6999 -19.7981 -29.8493 -128.247 -137.465 -45.3035 -3.98616 47.8329 134.626 PRESSAVG: 3554200 16.5492 14.3563 20.7387 14.3563 -11.4546 32.2753 20.7387 32.2753 0.706205 GPRESSAVG: 3554200 17.321 11.942 20.7024 15.5495 -12.0489 31.1406 20.0226 33.2881 0.303476 TIMING: 3554200 CPU: 11231.3, 0.00316063/step Wall: 11231.3, 0.00316063/step, 1.26934 hours remaining, 236.968750 MB of memory in use. ENERGY: 3554200 4070.2325 20585.7800 14419.0542 262.4987 -203279.6028 2720.2460 0.0000 0.0000 51980.1834 -109241.6078 298.7308 -161221.7913 -108876.7774 299.8422 1.2336 24.6204 761970.7985 1.9336 1.8585 PRESSURE: 3554400 57.9231 -63.8286 199.817 -63.8275 73.7516 -42.5016 199.817 -42.5029 85.4617 GPRESSURE: 3554400 111.879 -46.2453 122.544 -19.1493 105.097 -134.847 174.888 -109.118 98.9086 PRESSAVG: 3554400 -19.1741 -23.5666 37.3929 -23.5666 11.3529 -20.9396 37.3929 -20.9396 -22.1642 GPRESSAVG: 3554400 -19.316 -24.1327 38.9953 -22.6893 11.5553 -20.4819 37.1217 -21.7802 -22.4562 TIMING: 3554400 CPU: 11231.9, 0.00315311/step Wall: 11231.9, 0.00315311/step, 1.26615 hours remaining, 236.968750 MB of memory in use. ENERGY: 3554400 3991.5864 20328.7305 14386.8782 235.9341 -202831.9215 2532.5635 0.0000 0.0000 52260.9311 -109095.2977 300.3443 -161356.2288 -108730.2449 299.7728 72.3788 105.2950 762337.7266 -9.9951 -10.0723 PRESSURE: 3554600 -134.729 -25.9066 -200.47 -25.9065 56.157 240.911 -200.47 240.91 115.021 GPRESSURE: 3554600 -95.7426 -70.0941 -159.33 -4.96887 115.661 258.113 -202.311 102.268 115.029 PRESSAVG: 3554600 35.8658 -33.8542 15.2612 -33.8542 -28.3226 -34.8136 15.2612 -34.8137 33.9221 GPRESSAVG: 3554600 35.4418 -32.5632 14.9059 -31.7531 -27.0278 -33.0504 16.7851 -36.5289 33.4234 TIMING: 3554600 CPU: 11232.6, 0.00313172/step Wall: 11232.6, 0.00313172/step, 1.25738 hours remaining, 236.968750 MB of memory in use. ENERGY: 3554600 3980.3327 20640.8280 14463.5130 249.4944 -202981.1331 2514.9011 0.0000 0.0000 52172.0275 -108960.0364 299.8334 -161132.0639 -108593.8175 299.9155 12.1499 44.9823 761569.4298 13.8218 13.9458 PRESSURE: 3554800 249.267 9.02055 -34.2971 9.02171 167.716 19.2126 -34.2966 19.2119 43.6652 GPRESSURE: 3554800 291.317 -1.1026 49.9937 19.0026 210.707 37.6465 -143.803 -65.1289 40.6737 PRESSAVG: 3554800 1.95408 7.56809 -0.717619 7.56804 -29.3547 15.4726 -0.717596 15.4726 -3.32589 GPRESSAVG: 3554800 2.02209 6.55692 -0.621152 4.2952 -30.4935 13.3889 0.374541 15.8542 -2.72085 TIMING: 3554800 CPU: 11233.2, 0.0031487/step Wall: 11233.2, 0.0031487/step, 1.26403 hours remaining, 236.968750 MB of memory in use. ENERGY: 3554800 3951.7595 20581.7238 14470.6203 239.6747 -203205.8858 2657.8114 0.0000 0.0000 52293.8822 -109010.4138 300.5337 -161304.2960 -108643.5165 299.9450 153.5495 180.8992 761852.5970 -10.2422 -10.3974 PRESSURE: 3555000 200.803 104.588 176.492 104.587 166.226 -62.0833 176.491 -62.0836 -276.857 GPRESSURE: 3555000 283.77 116.357 77.3005 -66.3442 162.465 -157.043 98.6325 -109.882 -263.739 PRESSAVG: 3555000 37.3198 29.8498 -36.1884 29.8498 -19.5028 -10.0614 -36.1886 -10.0615 0.616382 GPRESSAVG: 3555000 38.0238 29.4724 -36.9609 31.9172 -19.5643 -10.3642 -38.8643 -7.29833 0.516419 TIMING: 3555000 CPU: 11233.8, 0.00316384/step Wall: 11233.8, 0.00316384/step, 1.26993 hours remaining, 236.968750 MB of memory in use. ENERGY: 3555000 4069.4510 20641.2150 14395.4628 239.6456 -202935.1604 2606.1395 0.0000 0.0000 52194.7349 -108788.5116 299.9639 -160983.2465 -108427.0421 300.2083 30.0571 60.8320 761763.5775 6.1445 6.3253 PRESSURE: 3555200 -174.452 280.294 216.899 280.293 -246.404 -164.933 216.9 -164.931 91.7509 GPRESSURE: 3555200 -214.449 252.382 224.438 173.534 -153.384 -138.349 131.883 -80.0726 116.763 PRESSAVG: 3555200 26.086 26.5147 21.6164 26.5147 -19.4865 -40.0829 21.6164 -40.0829 -22.5566 GPRESSAVG: 3555200 26.605 27.8027 23.1091 24.2337 -20.1989 -38.5887 24.0589 -42.1908 -21.94 TIMING: 3555200 CPU: 11234.5, 0.00315933/step Wall: 11234.5, 0.00315933/step, 1.26795 hours remaining, 236.968750 MB of memory in use. ENERGY: 3555200 3958.8264 20706.5731 14440.7635 244.8089 -202969.2007 2378.7352 0.0000 0.0000 52348.2131 -108891.2805 300.8459 -161239.4935 -108526.9912 300.4816 -109.7017 -83.6901 761426.7322 -5.3190 -5.1780 PRESSURE: 3555400 292.973 38.1325 -54.1972 38.1321 -255.061 209.415 -54.1978 209.414 -151.112 GPRESSURE: 3555400 252.466 -14.9965 -78.3604 28.0067 -135.559 225.557 -28.7387 244.37 -166.442 PRESSAVG: 3555400 2.10163 -12.6252 2.71146 -12.6253 19.2068 -2.11772 2.71147 -2.11769 24.2636 GPRESSAVG: 3555400 1.32483 -13.7317 3.45086 -9.33413 21.1876 -4.43248 2.05503 -1.24957 23.3604 TIMING: 3555400 CPU: 11235.1, 0.00316744/step Wall: 11235.1, 0.00316744/step, 1.27102 hours remaining, 236.968750 MB of memory in use. ENERGY: 3555400 3983.6652 20620.8861 14465.0454 237.9165 -202964.0828 2431.6942 0.0000 0.0000 52328.1600 -108896.7154 300.7307 -161224.8754 -108532.5102 300.2505 -37.7332 -16.5119 760821.8609 15.1907 15.2909 PRESSURE: 3555600 -190.607 -50.7334 -157.39 -50.7334 -147.002 206.361 -157.39 206.361 -235.202 GPRESSURE: 3555600 -194.189 26.4028 -182.677 -44.421 -33.2472 101.43 -181.8 160.244 -239.889 PRESSAVG: 3555600 3.32149 32.8049 17.6271 32.8049 3.2958 33.3444 17.6271 33.3444 -13.3951 GPRESSAVG: 3555600 2.94585 29.576 16.5654 33.3025 3.97484 32.158 18.5369 34.8472 -13.8355 TIMING: 3555600 CPU: 11235.7, 0.00316555/step Wall: 11235.7, 0.00316555/step, 1.27009 hours remaining, 236.968750 MB of memory in use. ENERGY: 3555600 4044.9380 20457.4150 14440.1131 254.8396 -202726.9360 2443.4080 0.0000 0.0000 52346.7289 -108739.4934 300.8374 -161086.2224 -108385.8839 300.8525 -190.9372 -155.7751 760457.6291 -2.2593 -2.3049 PRESSURE: 3555800 -316.082 -192.822 -63.6169 -192.822 -138.739 -90.1241 -63.6167 -90.1249 157.879 GPRESSURE: 3555800 -259.819 -59.0471 12.6928 -276.932 -184.512 -67.8549 -85.8337 -124.096 210.687 PRESSAVG: 3555800 13.1446 10.1349 -27.1198 10.1349 -15.3005 46.1551 -27.1197 46.155 -9.78517 GPRESSAVG: 3555800 14.0106 13.2443 -28.7831 9.41724 -17.1199 47.3605 -26.9984 43.6108 -8.527 TIMING: 3555800 CPU: 11236.4, 0.00314131/step Wall: 11236.4, 0.00314131/step, 1.26019 hours remaining, 236.968750 MB of memory in use. ENERGY: 3555800 4018.5995 20629.0152 14516.2373 271.4463 -202880.8126 2476.1831 0.0000 0.0000 52224.0161 -108745.3152 300.1321 -160969.3313 -108382.3494 300.9840 -98.9808 -77.8816 761808.4164 -3.9804 -3.8788 PRESSURE: 3556000 -107.201 75.4435 -1.74339 75.4433 -172.658 -303.762 -1.74291 -303.761 1.1332 GPRESSURE: 3556000 -5.27842 73.8171 85.5626 201.207 -110.444 -252.186 -61.1494 -240.781 -78.5265 PRESSAVG: 3556000 27.1809 -10.9724 31.4878 -10.9724 -29.5935 1.73603 31.4878 1.73605 39.0533 GPRESSAVG: 3556000 27.4764 -9.36805 32.7182 -10.9594 -28.5512 3.12648 30.0446 1.18818 38.0744 TIMING: 3556000 CPU: 11237, 0.00314726/step Wall: 11237, 0.00314726/step, 1.2624 hours remaining, 236.968750 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: 3556000 4032.6674 20359.7948 14479.5493 272.5174 -202478.0733 1872.1860 0.0000 0.0000 52497.7994 -108963.5591 301.7056 -161461.3584 -108591.1673 300.4992 -92.9088 -64.7495 759718.8569 12.2136 12.3332 PRESSURE: 3556200 -330.892 -2.72236 74.3925 -2.7221 -2.48867 146.065 74.3935 146.066 58.4078 GPRESSURE: 3556200 -328.745 32.5227 44.58 -36.1604 -4.63864 134.657 95.1371 6.67662 138.365 PRESSAVG: 3556200 0.895422 4.86608 41.9756 4.86608 -29.8844 20.7343 41.9756 20.7343 -10.5817 GPRESSAVG: 3556200 0.189199 3.72254 40.0118 4.6657 -29.644 19.0993 43.2186 21.0249 -9.08383 TIMING: 3556200 CPU: 11237.6, 0.00315461/step Wall: 11237.6, 0.00315461/step, 1.26517 hours remaining, 236.968750 MB of memory in use. ENERGY: 3556200 3929.9955 20629.4300 14398.3935 242.4058 -202537.6763 2160.6399 0.0000 0.0000 52071.6902 -109105.1215 299.2567 -161176.8117 -108738.2754 300.1440 -91.6575 -65.0062 762459.3839 -13.1902 -12.8462 LDB: ============= START OF LOAD BALANCING ============== 11250.1 LDB: ============== END OF LOAD BALANCING =============== 11250.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11250.1 LDB: ============= START OF LOAD BALANCING ============== 11250.5 LDB: Largest compute 7075 load 0.032145 is 16.4% of average load 0.195486 LDB: Average compute 0.004390 is 2.2% of average load 0.195486 LDB: TIME 11250.5 LOAD: AVG 0.195486 MAX 0.216206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.051 MB LDB: TIME 11250.5 LOAD: AVG 0.195486 MAX 0.216206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.254 MB LDB: TIME 11250.5 LOAD: AVG 0.195486 MAX 0.216206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.254 MB LDB: ============== END OF LOAD BALANCING =============== 11250.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11250.5 PRESSURE: 3556400 32.4253 100.391 -249.781 100.391 -21.5707 -52.7412 -249.781 -52.7407 32.7226 GPRESSURE: 3556400 28.2634 115.783 -192.856 25.7524 33.0774 -71.7993 -159.082 -30.3976 74.0451 PRESSAVG: 3556400 23.9696 39.4693 32.8596 39.4692 -28.4317 15.7918 32.8597 15.7919 17.5957 GPRESSAVG: 3556400 24.5922 40.3572 33.7512 37.6894 -28.0402 17.3175 33.5396 15.9166 16.5675 TIMING: 3556400 CPU: 11238.3, 0.00322505/step Wall: 11238.3, 0.00322505/step, 1.29324 hours remaining, 235.308594 MB of memory in use. ENERGY: 3556400 4002.4645 20419.9033 14474.5621 263.7997 -202870.1970 2517.2225 0.0000 0.0000 52049.2245 -109143.0203 299.1276 -161192.2448 -108775.2759 299.6646 14.5257 45.1287 761154.6286 4.3779 4.3732 PRESSURE: 3556600 -56.87 38.9893 -108.079 38.9891 -79.4275 -35.9268 -108.078 -35.927 158.324 GPRESSURE: 3556600 -30.4998 73.1936 -86.9176 32.3262 -99.3214 5.3534 -72.4566 -179.316 245.191 PRESSAVG: 3556600 15.7081 -8.86206 21.109 -8.86208 4.93394 -3.07493 21.109 -3.07494 11.2141 GPRESSAVG: 3556600 14.6417 -9.06461 20.9346 -8.8138 5.01804 -3.58827 20.0346 -2.9909 11.9334 TIMING: 3556600 CPU: 11238.9, 0.0031615/step Wall: 11238.9, 0.0031615/step, 1.26759 hours remaining, 235.511719 MB of memory in use. ENERGY: 3556600 4033.7336 20404.1055 14338.1490 250.4408 -203246.6254 2666.9683 0.0000 0.0000 52120.4478 -109432.7804 299.5369 -161553.2282 -109068.4539 299.8049 7.3423 38.4566 760685.9083 10.6187 10.5310 PRESSURE: 3556800 -9.54316 -271.052 -32.5982 -271.052 86.8077 -117.603 -32.5995 -117.604 -156.491 GPRESSURE: 3556800 22.6315 -194.545 -33.233 -327.582 99.3253 -86.4101 -19.5121 -139.703 -89.0953 PRESSAVG: 3556800 38.9515 24.8049 -55.2019 24.8049 -46.8147 -35.664 -55.2018 -35.6641 -9.90387 GPRESSAVG: 3556800 40.2524 24.8964 -54.5473 26.6321 -47.9054 -36.2501 -55.2281 -34.5739 -10.1218 TIMING: 3556800 CPU: 11239.5, 0.00314196/step Wall: 11239.5, 0.00314196/step, 1.25958 hours remaining, 235.511719 MB of memory in use. ENERGY: 3556800 3966.4790 20451.5679 14460.6674 256.0747 -203286.0033 2586.4936 0.0000 0.0000 52208.1094 -109356.6113 300.0407 -161564.7207 -108995.2178 299.6191 -26.4087 10.9538 761169.3438 -5.9223 -5.9249 PRESSURE: 3557000 -526.328 -42.738 -138.317 -42.7386 -166.89 76.5095 -138.316 76.5091 -178.958 GPRESSURE: 3557000 -409.61 2.60975 -137.612 -79.2054 -157.818 -8.97685 -177.925 76.0359 -200.494 PRESSAVG: 3557000 8.77529 -46.4379 -9.31859 -46.4379 12.26 -22.1751 -9.31858 -22.1752 -1.10905 GPRESSAVG: 3557000 7.99347 -48.4821 -10.0633 -47.7938 12.315 -21.6922 -10.1325 -21.3365 -0.880482 TIMING: 3557000 CPU: 11240.1, 0.00315358/step Wall: 11240.1, 0.00315358/step, 1.26406 hours remaining, 235.511719 MB of memory in use. ENERGY: 3557000 4049.5394 20406.6461 14429.6452 236.9542 -202999.7634 2318.2039 0.0000 0.0000 52113.2534 -109445.5212 299.4956 -161558.7746 -109081.3479 299.6355 -290.7255 -255.9742 761785.7268 6.6421 6.4760 PRESSURE: 3557200 33.3857 -96.7933 -56.3714 -96.7931 -342.587 -38.5271 -56.3714 -38.527 -77.063 GPRESSURE: 3557200 20.1647 -56.3299 -54.6748 -72.4141 -308.188 -62.7438 -97.5212 -17.8735 -27.3362 PRESSAVG: 3557200 -28.3513 -64.2059 -1.05351 -64.206 -23.6771 -22.8228 -1.05353 -22.8228 15.1777 GPRESSAVG: 3557200 -28.5155 -62.9574 -1.72287 -64.9142 -23.3545 -21.8272 -1.44005 -23.0003 15.1667 TIMING: 3557200 CPU: 11240.8, 0.00315365/step Wall: 11240.8, 0.00315365/step, 1.26391 hours remaining, 235.769531 MB of memory in use. ENERGY: 3557200 3985.8234 20418.1382 14382.2838 247.2597 -202992.9725 2329.8830 0.0000 0.0000 51999.4752 -109630.1092 298.8417 -161629.5844 -109273.1394 298.9288 -128.7548 -105.1199 762464.6062 -12.2836 -12.2344 PRESSURE: 3557400 -262.134 -22.7689 -26.7654 -22.7691 -124.246 20.1509 -26.7649 20.1524 -58.8868 GPRESSURE: 3557400 -238.226 -68.5658 -41.4499 -15.2562 -133.033 -81.5815 40.1186 8.88267 26.0459 PRESSAVG: 3557400 12.728 -23.7219 -6.19627 -23.7219 11.3938 37.586 -6.19628 37.586 5.44667 GPRESSAVG: 3557400 12.9254 -22.6078 -3.92044 -23.9025 12.3826 37.8617 -7.25916 35.9479 4.58884 TIMING: 3557400 CPU: 11241.4, 0.00316906/step Wall: 11241.4, 0.00316906/step, 1.26991 hours remaining, 235.769531 MB of memory in use. ENERGY: 3557400 3983.9402 20418.2387 14393.8724 249.0255 -203208.8642 2436.7019 0.0000 0.0000 52202.4693 -109524.6161 300.0083 -161727.0854 -109155.6654 299.0949 -148.4222 -115.0711 761468.2722 9.8562 9.9656 PRESSURE: 3557600 -122.249 -13.0138 198.515 -13.0142 -235.296 123.625 198.515 123.624 -348.62 GPRESSURE: 3557600 -120.59 -160.635 246.913 -92.6168 -87.296 171.498 225.475 91.1302 -401.74 PRESSAVG: 3557600 46.7821 -59.1632 -11.3848 -59.1632 -38.5386 29.1668 -11.3847 29.1667 17.6743 GPRESSAVG: 3557600 47.3211 -59.9326 -11.3784 -59.0872 -39.2747 28.347 -8.34456 30.8105 17.8309 TIMING: 3557600 CPU: 11242, 0.00314442/step Wall: 11242, 0.00314442/step, 1.25986 hours remaining, 235.769531 MB of memory in use. ENERGY: 3557600 4083.9398 20666.7981 14422.1884 247.9244 -203572.6518 2461.6985 0.0000 0.0000 52061.6693 -109628.4334 299.1991 -161690.1026 -109274.6988 299.1538 -235.3879 -203.2086 759993.9818 8.6393 8.6258 PRESSURE: 3557800 -89.5573 -28.0198 -103.638 -28.0197 166.965 73.3913 -103.639 73.3908 -127.114 GPRESSURE: 3557800 -118.587 -134.947 -42.0525 74.9234 257.294 127.299 -174.332 -72.6309 -121.382 PRESSAVG: 3557800 -41.0011 -47.7631 -43.1248 -47.7631 -3.96413 5.04219 -43.1248 5.04224 -16.2629 GPRESSAVG: 3557800 -41.769 -46.9254 -42.3538 -48.463 -2.95324 4.83508 -45.9426 5.35088 -16.6722 TIMING: 3557800 CPU: 11242.7, 0.00316218/step Wall: 11242.7, 0.00316218/step, 1.2668 hours remaining, 235.769531 MB of memory in use. ENERGY: 3557800 4040.3404 20476.9054 14440.7608 250.4352 -203633.2434 2723.4142 0.0000 0.0000 52084.4388 -109616.9485 299.3300 -161701.3874 -109256.2227 299.3311 -16.5689 5.7750 761814.9892 -20.4094 -20.4648 PRESSURE: 3558000 121.436 -80.8744 -219.597 -80.8736 324.473 93.3685 -219.597 93.3687 255.647 GPRESSURE: 3558000 208.197 -19.9008 -272.121 -34.5254 336.59 27.2157 -127.848 66.3279 249.593 PRESSAVG: 3558000 7.51447 -4.10183 -41.7457 -4.10186 24.0127 11.8268 -41.7455 11.8268 20.9845 GPRESSAVG: 3558000 7.97886 -4.54604 -43.6298 -0.779728 24.2702 13.459 -41.0004 11.1519 20.9455 TIMING: 3558000 CPU: 11243.3, 0.00314028/step Wall: 11243.3, 0.00314028/step, 1.25786 hours remaining, 235.769531 MB of memory 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 3961.6075 20508.8575 14445.7617 249.2894 -203299.2262 2453.7900 0.0000 0.0000 51879.2631 -109800.6570 298.1508 -161679.9201 -109439.9651 299.0049 233.8523 264.7935 759806.9001 17.5039 17.7315 PRESSURE: 3558200 -313.584 -90.8869 -65.7395 -90.8867 8.82147 -90.1544 -65.7386 -90.155 368.274 GPRESSURE: 3558200 -357.625 -82.4422 -52.1397 -129.027 74.834 -7.54501 -197.449 -46.6114 432.891 PRESSAVG: 3558200 32.8337 -10.687 -58.2484 -10.687 -25.581 37.4771 -58.2483 37.4772 25.981 GPRESSAVG: 3558200 31.9283 -11.6386 -56.6448 -12.8775 -24.4252 35.7851 -58.3876 37.9814 25.8243 TIMING: 3558200 CPU: 11243.9, 0.00316987/step Wall: 11243.9, 0.00316987/step, 1.26953 hours remaining, 235.769531 MB of memory in use. ENERGY: 3558200 4011.1543 20220.6376 14485.6352 240.3680 -202611.5923 2151.6603 0.0000 0.0000 51744.4407 -109757.6963 297.3760 -161502.1369 -109392.3212 298.8270 21.1706 50.0334 761288.8640 11.0779 11.1091 PRESSURE: 3558400 -251.81 -11.1887 200.986 -11.1887 185.06 38.3951 200.985 38.3942 -128.05 GPRESSURE: 3558400 -64.0641 -56.7103 119.638 -66.2316 159.147 7.99813 177.498 23.2149 -170.834 PRESSAVG: 3558400 23.8359 -74.4476 -46.715 -74.4477 12.8966 22.677 -46.715 22.6769 -2.51629 GPRESSAVG: 3558400 24.7296 -73.527 -47.9181 -72.936 11.5193 24.6263 -48.0097 21.2505 -1.49317 TIMING: 3558400 CPU: 11244.6, 0.00317033/step Wall: 11244.6, 0.00317033/step, 1.26954 hours remaining, 235.769531 MB of memory in use. ENERGY: 3558400 4070.7645 20367.9472 14419.8630 246.9409 -203403.8575 2638.9331 0.0000 0.0000 52012.2417 -109647.1671 298.9151 -161659.4088 -109283.8085 298.5888 -64.9331 -25.2504 759422.0812 11.4054 11.5852 PRESSURE: 3558600 -169.802 -226.828 162.863 -226.826 -305.017 -27.9964 162.863 -27.9974 -87.6081 GPRESSURE: 3558600 -107.324 -125.508 194.279 -170.078 -226.785 -30.3869 -50.0276 -17.239 -131.36 PRESSAVG: 3558600 -15.1177 -55.7684 -31.1472 -55.7683 38.4966 -11.2457 -31.1472 -11.2456 40.1554 GPRESSAVG: 3558600 -14.5833 -56.4387 -30.8021 -55.4924 39.7603 -12.2502 -29.2044 -10.3107 38.3796 TIMING: 3558600 CPU: 11245.2, 0.00315431/step Wall: 11245.2, 0.00315431/step, 1.26295 hours remaining, 235.769531 MB of memory in use. ENERGY: 3558600 3979.6546 20627.1828 14466.0894 254.3015 -203069.8258 2309.6564 0.0000 0.0000 51882.1104 -109550.8308 298.1672 -161432.9412 -109190.4141 299.0510 -187.4758 -155.1562 760988.9872 21.1781 21.1855 PRESSURE: 3558800 -481.948 -110.903 -239.986 -110.903 -54.9028 -108.828 -239.985 -108.828 -340.087 GPRESSURE: 3558800 -303.737 -136.613 -176.825 -84.1113 -178.856 -168.351 -174.718 -85.8242 -323.223 PRESSAVG: 3558800 -34.1037 -68.1769 -38.5536 -68.1769 47.7195 -38.6766 -38.5536 -38.6766 12.3085 GPRESSAVG: 3558800 -33.5725 -67.2474 -38.3265 -68.5445 46.2669 -39.4522 -37.6988 -38.4885 12.9779 TIMING: 3558800 CPU: 11245.8, 0.00315376/step Wall: 11245.8, 0.00315376/step, 1.26255 hours remaining, 235.769531 MB of memory in use. ENERGY: 3558800 4059.5561 20538.4068 14384.5227 252.9701 -203262.5169 2517.1093 0.0000 0.0000 52063.7852 -109446.1667 299.2113 -161509.9519 -109084.0582 299.1454 -292.3129 -268.6053 762603.4242 8.6414 8.5574 PRESSURE: 3559000 -403.044 -116.359 -155.543 -116.358 -149.814 184.525 -155.544 184.524 -0.477942 GPRESSURE: 3559000 -365.967 -84.0364 -156.412 -37.5808 -46.1931 158.974 -214.421 289.886 -38.9093 PRESSAVG: 3559000 -35.9662 -21.2417 -10.0385 -21.2418 -11.4991 -36.8311 -10.0386 -36.8311 -0.127892 GPRESSAVG: 3559000 -36.8687 -21.4972 -10.3874 -23.1729 -9.88493 -38.4403 -9.09796 -33.5226 -0.628515 TIMING: 3559000 CPU: 11246.5, 0.00317046/step Wall: 11246.5, 0.00317046/step, 1.26906 hours remaining, 235.769531 MB of memory in use. ENERGY: 3559000 4044.2205 20455.7784 14381.3519 240.2536 -203514.1662 2691.5843 0.0000 0.0000 52255.3718 -109445.6056 300.3123 -161700.9775 -109081.6319 299.3314 -184.4453 -150.3564 761415.5059 -15.8644 -15.7940 PRESSURE: 3559200 39.166 86.6047 -143.587 86.6048 370.047 -63.135 -143.586 -63.1358 238.219 GPRESSURE: 3559200 44.228 88.3945 -106.813 70.3445 401.881 -34.0363 -154.066 -92.2033 289.832 PRESSAVG: 3559200 -52.6124 6.44204 -60.5505 6.44202 10.7673 -0.264068 -60.5505 -0.264171 -4.03425 GPRESSAVG: 3559200 -51.2008 7.47185 -57.6257 7.11569 7.89615 2.15735 -63.2671 -3.88378 -3.18482 TIMING: 3559200 CPU: 11247.1, 0.00316514/step Wall: 11247.1, 0.00316514/step, 1.26676 hours remaining, 235.769531 MB of memory in use. ENERGY: 3559200 4062.4062 20457.7378 14405.1789 250.0159 -203341.6297 2770.4453 0.0000 0.0000 52070.3112 -109325.5344 299.2488 -161395.8456 -108975.0015 299.3513 215.8107 245.3137 761150.8926 -15.2931 -15.4965 PRESSURE: 3559400 170.987 287.384 104.307 287.385 -29.8916 99.1008 104.306 99.1004 69.7953 GPRESSURE: 3559400 180.255 190.171 131.839 211.538 84.6832 63.9199 77.6189 26.321 24.673 PRESSAVG: 3559400 39.613 10.7558 -45.8686 10.7559 0.127471 -50.1234 -45.8686 -50.1234 2.24621 GPRESSAVG: 3559400 39.1035 9.50044 -48.4226 10.497 0.439925 -51.6355 -45.0241 -49.0953 2.33968 TIMING: 3559400 CPU: 11247.7, 0.00316867/step Wall: 11247.7, 0.00316867/step, 1.268 hours remaining, 235.769531 MB of memory in use. ENERGY: 3559400 4019.1759 20420.1805 14414.8700 250.6931 -203161.4065 2624.4998 0.0000 0.0000 52054.6857 -109377.3017 299.1590 -161431.9873 -109012.0329 299.4892 70.2968 96.5371 760715.6546 13.9956 13.9610 PRESSURE: 3559600 -138.999 119.531 -88.7208 119.532 -109.725 -254.654 -88.7214 -254.654 -157.796 GPRESSURE: 3559600 -103.317 123.05 -144.95 135.615 -97.4654 -270.757 -179.26 -180.399 -125.93 PRESSAVG: 3559600 -26.4231 42.7999 -70.5322 42.8 12.388 -18.5341 -70.5323 -18.5342 -13.1734 GPRESSAVG: 3559600 -26.7681 42.6058 -70.6945 43.8856 13.9949 -16.0631 -70.1491 -19.2154 -14.6453 TIMING: 3559600 CPU: 11248.4, 0.00314836/step Wall: 11248.4, 0.00314836/step, 1.25969 hours remaining, 235.769531 MB of memory in use. ENERGY: 3559600 4064.9096 20566.4802 14504.8752 237.7295 -203207.9192 2297.6111 0.0000 0.0000 52040.1276 -109496.1860 299.0753 -161536.3136 -109139.4715 299.1605 -135.5064 -108.9040 760825.3091 -9.0695 -9.1395 PRESSURE: 3559800 151.577 80.3894 148.466 80.3884 31.7805 -57.0557 148.467 -57.0569 414.883 GPRESSURE: 3559800 160.236 130.544 154.557 101.747 93.0801 -41.4336 115.31 -15.9268 404.587 PRESSAVG: 3559800 -49.3139 29.0621 -37.7257 29.0621 -35.5575 -13.3932 -37.7257 -13.3932 -29.3925 GPRESSAVG: 3559800 -49.5464 28.2515 -36.8734 29.5087 -36.4232 -13.8121 -39.3286 -13.9342 -28.7565 TIMING: 3559800 CPU: 11249, 0.00317012/step Wall: 11249, 0.00317012/step, 1.26823 hours remaining, 235.769531 MB of memory in use. ENERGY: 3559800 4068.1606 20425.4911 14455.4277 239.3368 -203451.3404 2792.0074 0.0000 0.0000 52239.2272 -109231.6897 300.2196 -161470.9169 -108867.5565 299.1061 199.4137 219.3010 761045.9436 -38.0880 -38.2420 PRESSURE: 3560000 -42.5589 36.9823 49.0494 36.9822 140.312 -113.461 49.0493 -113.46 532.353 GPRESSURE: 3560000 54.0721 117.526 87.9905 143.519 98.7316 -141.143 -71.2807 25.6605 557.323 PRESSAVG: 3560000 5.63201 59.5851 27.5783 59.585 -15.7133 -59.4593 27.5783 -59.4593 -4.0548 GPRESSAVG: 3560000 5.25421 60.6728 27.1509 57.8724 -15.5853 -60.0002 28.3567 -59.1209 -3.65075 TIMING: 3560000 CPU: 11249.6, 0.00316591/step Wall: 11249.6, 0.00316591/step, 1.26636 hours remaining, 235.769531 MB of memory 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 3999.1016 20526.2814 14477.3876 252.5943 -203111.8705 2448.1889 0.0000 0.0000 52112.1182 -109296.1984 299.4891 -161408.3167 -108932.7227 299.4458 210.0354 236.7089 761180.4511 -4.7120 -4.6606 PRESSURE: 3560200 -413.754 178.868 -12.4219 178.867 -411.013 60.03 -12.4227 60.0307 -154.999 GPRESSURE: 3560200 -327.847 205.785 31.4529 222.391 -336.767 0.219598 -30.2218 7.10607 -223.395 PRESSAVG: 3560200 -6.4387 25.6981 -3.86084 25.6982 1.15049 -54.8041 -3.86089 -54.804 -0.513503 GPRESSAVG: 3560200 -6.09113 24.0712 -3.15252 27.8389 1.42001 -53.9381 -5.24249 -54.9828 -0.669105 TIMING: 3560200 CPU: 11250.3, 0.00314726/step Wall: 11250.3, 0.00314726/step, 1.25873 hours remaining, 235.769531 MB of memory in use. ENERGY: 3560200 3999.9684 20476.6714 14438.3858 251.1001 -202751.5234 2244.1884 0.0000 0.0000 52136.8033 -109204.4059 299.6309 -161341.2092 -108845.9247 299.4186 -326.5890 -296.0029 762773.1570 -1.9339 -1.7801 LDB: ============= START OF LOAD BALANCING ============== 11262.8 LDB: ============== END OF LOAD BALANCING =============== 11262.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11262.8 LDB: ============= START OF LOAD BALANCING ============== 11263.1 LDB: Largest compute 7073 load 0.032541 is 16.6% of average load 0.195647 LDB: Average compute 0.004381 is 2.2% of average load 0.195647 LDB: TIME 11263.1 LOAD: AVG 0.195647 MAX 0.214348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 11263.1 LOAD: AVG 0.195647 MAX 0.214348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: TIME 11263.1 LOAD: AVG 0.195647 MAX 0.214348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: ============== END OF LOAD BALANCING =============== 11263.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11263.1 PRESSURE: 3560400 376.053 165.18 -48.8066 165.18 402.807 70.4267 -48.8072 70.427 -35.5856 GPRESSURE: 3560400 418.516 34.9675 -58.7098 87.0996 407.705 126.987 -63.3789 45.3891 1.06567 PRESSAVG: 3560400 31.7171 20.5643 -62.379 20.5642 -26.2476 -24.9408 -62.379 -24.9408 2.10974 GPRESSAVG: 3560400 32.2029 20.1086 -63.614 20.327 -26.3822 -24.8114 -60.6777 -25.8135 2.13056 TIMING: 3560400 CPU: 11250.9, 0.00322011/step Wall: 11250.9, 0.00322011/step, 1.28769 hours remaining, 237.562500 MB of memory in use. ENERGY: 3560400 3947.0548 20476.5915 14464.9516 233.5509 -203234.8164 2803.8169 0.0000 0.0000 52042.9491 -109265.9016 299.0915 -161308.8507 -108894.9500 299.4481 247.7581 275.7623 761625.5396 2.5264 2.6504 PRESSURE: 3560600 -409.755 147.642 -72.4789 147.642 -319.477 -6.71451 -72.4788 -6.71449 -438.849 GPRESSURE: 3560600 -421.853 187.367 55.8247 176.251 -231.862 -35.0528 -25.8795 80.7105 -428.707 PRESSAVG: 3560600 -32.3397 -1.40851 -32.8611 -1.4085 11.1318 2.07152 -32.8611 2.07152 -2.34773 GPRESSAVG: 3560600 -33.2432 0.123702 -31.4155 -3.03553 11.2574 -0.124208 -32.2941 2.6244 -1.93918 TIMING: 3560600 CPU: 11251.5, 0.00317558/step Wall: 11251.5, 0.00317558/step, 1.2697 hours remaining, 237.632812 MB of memory in use. ENERGY: 3560600 3931.8028 20529.5142 14393.3740 252.2772 -202971.9031 2352.9946 0.0000 0.0000 52360.4033 -109151.5368 300.9160 -161511.9401 -108790.1048 299.7038 -389.3600 -360.8071 761811.2919 -7.8519 -7.9750 PRESSURE: 3560800 362.599 70.1975 291.245 70.1986 35.2779 -111.051 291.245 -111.049 297.833 GPRESSURE: 3560800 384.445 107.115 194.165 126.46 89.9028 -146.342 205.261 0.93779 298.208 PRESSAVG: 3560800 -19.0362 18.0629 -51.2999 18.0629 28.4843 0.380512 -51.2999 0.380517 -22.9457 GPRESSAVG: 3560800 -18.1658 17.5603 -52.3169 20.9754 29.0674 0.443282 -54.031 1.36901 -23.5665 TIMING: 3560800 CPU: 11252.2, 0.00317095/step Wall: 11252.2, 0.00317095/step, 1.26768 hours remaining, 237.632812 MB of memory in use. ENERGY: 3560800 4013.4632 20394.5622 14361.0574 253.6599 -203219.8362 2701.1044 0.0000 0.0000 52239.4903 -109256.4987 300.2211 -161495.9890 -108893.8358 299.4853 231.9033 257.5187 761779.0413 -4.4992 -4.2216 PRESSURE: 3561000 -199.85 -8.4841 -95.8101 -8.48352 310.179 -52.4866 -95.8105 -52.4859 -197.468 GPRESSURE: 3561000 -130.309 -12.2595 -38.6903 -35.7493 348.28 -94.1873 -188.7 105.611 -230.23 PRESSAVG: 3561000 23.5507 5.75067 -13.5721 5.75067 2.69603 -14.8129 -13.5722 -14.8129 7.70711 GPRESSAVG: 3561000 23.8521 5.94408 -13.8443 1.74395 2.12956 -13.5535 -12.4197 -15.5955 7.85047 TIMING: 3561000 CPU: 11252.8, 0.0031711/step Wall: 11252.8, 0.0031711/step, 1.26756 hours remaining, 237.632812 MB of memory in use. ENERGY: 3561000 4033.0416 20434.7913 14359.0555 268.4791 -203232.7782 2513.1188 0.0000 0.0000 52169.6264 -109454.6654 299.8196 -161624.2918 -109076.1375 299.1002 -29.0463 -4.0861 762360.1033 11.3179 11.2774 PRESSURE: 3561200 -87.852 223.607 -22.5014 223.608 -2.34129 132.119 -22.5007 132.12 59.0198 GPRESSURE: 3561200 -97.7252 320.473 -30.8408 200.282 28.5634 150.205 0.928534 1.25071 141.973 PRESSAVG: 3561200 -62.1035 -1.02389 -14.394 -1.02388 -2.88365 -24.221 -14.394 -24.221 3.7587 GPRESSAVG: 3561200 -62.3925 -2.3173 -13.2344 2.38908 -3.26545 -25.0814 -13.3839 -23.2201 4.38267 TIMING: 3561200 CPU: 11253.4, 0.00316787/step Wall: 11253.4, 0.00316787/step, 1.26609 hours remaining, 237.632812 MB of memory in use. ENERGY: 3561200 3990.7685 20335.7718 14494.9364 265.1827 -203291.7159 2797.1635 0.0000 0.0000 51799.9483 -109607.9448 297.6950 -161407.8931 -109232.8812 299.1265 -10.3912 24.2705 762408.0280 -20.4095 -20.4251 PRESSURE: 3561400 103.044 222.034 -67.6101 222.034 40.6648 221.706 -67.6102 221.707 18.7491 GPRESSURE: 3561400 198.816 90.4413 -99.7014 96.5189 147.957 281.272 36.3367 173.884 -79.68 PRESSAVG: 3561400 -22.8301 50.0879 -11.031 50.0879 60.1164 11.4259 -11.031 11.4258 9.61513 GPRESSAVG: 3561400 -22.2225 50.4638 -10.9302 46.5995 60.6498 12.2882 -10.7286 10.0786 7.99795 TIMING: 3561400 CPU: 11254.1, 0.00316014/step Wall: 11254.1, 0.00316014/step, 1.26283 hours remaining, 237.632812 MB of memory in use. ENERGY: 3561400 3973.5981 20502.4546 14400.1683 237.1859 -203024.9161 2362.9635 0.0000 0.0000 52003.2944 -109545.2514 298.8636 -161548.5458 -109176.3763 298.9340 54.1528 89.0311 761697.4229 15.6338 15.4751 PRESSURE: 3561600 -567.028 -123.026 -105.073 -123.025 -261.245 -79.1575 -105.072 -79.1578 -308.312 GPRESSURE: 3561600 -527.047 -162.117 -98.8253 -187.558 -231.505 -59.6944 -75.7285 -68.0857 -295.482 PRESSAVG: 3561600 -25.1524 -16.4819 -45.67 -16.4819 -13.4379 7.01168 -45.67 7.01169 9.63485 GPRESSAVG: 3561600 -25.9779 -15.6193 -46.3149 -17.3168 -13.8542 8.13222 -45.1208 8.27589 11.0928 TIMING: 3561600 CPU: 11254.7, 0.00321274/step Wall: 11254.7, 0.00321274/step, 1.28367 hours remaining, 237.632812 MB of memory in use. ENERGY: 3561600 4014.6509 20461.0780 14452.3835 264.8069 -203318.6288 2462.7460 0.0000 0.0000 52100.9818 -109561.9818 299.4251 -161662.9635 -109203.2104 298.6962 -378.8616 -351.3447 762103.3487 -9.6518 -9.5798 PRESSURE: 3561800 -34.0855 160.103 16.3038 160.102 64.5798 -155.184 16.304 -155.185 -187.731 GPRESSURE: 3561800 2.165 118.122 44.4493 114.592 151.519 -59.9248 -77.1001 -240.506 -211.046 PRESSAVG: 3561800 -25.102 54.1439 -33.381 54.1439 6.56427 21.0869 -33.3811 21.0869 14.0503 GPRESSAVG: 3561800 -25.3466 53.3231 -32.407 55.0779 6.93199 20.2885 -33.2542 20.4009 13.8831 TIMING: 3561800 CPU: 11255.3, 0.00316445/step Wall: 11255.3, 0.00316445/step, 1.2642 hours remaining, 237.632812 MB of memory in use. ENERGY: 3561800 4004.9689 20387.7273 14401.7757 239.9053 -203399.1153 2877.0851 0.0000 0.0000 51975.2301 -109512.4228 298.7024 -161487.6529 -109139.1202 299.0860 -52.4122 -19.1207 760804.7651 -1.4958 -1.5105 PRESSURE: 3562000 -311.392 209.165 233.25 209.165 -333.708 -84.8677 233.25 -84.867 -34.8029 GPRESSURE: 3562000 -265.24 200.847 238.378 211.9 -283.947 -83.2627 166.896 -159.494 -20.3173 PRESSAVG: 3562000 19.5422 4.16416 -28.4025 4.1642 15.7019 -6.34197 -28.4025 -6.34196 14.2996 GPRESSAVG: 3562000 19.3336 5.11074 -28.1677 5.13205 16.3229 -5.26655 -29.4237 -7.84186 14.0513 TIMING: 3562000 CPU: 11256, 0.00316137/step Wall: 11256, 0.00316137/step, 1.26279 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: 3562000 3953.8062 20494.5505 14406.5754 253.3709 -203364.2317 2496.6397 0.0000 0.0000 52250.4470 -109508.8420 300.2840 -161759.2890 -109140.3472 298.9482 -226.6342 -189.8350 759626.8185 16.5145 16.5693 PRESSURE: 3562200 242.845 88.7932 -256.595 88.7933 286.492 36.4485 -256.594 36.4495 -167.171 GPRESSURE: 3562200 286.994 16.3723 -352.174 158.766 289.563 84.4625 -202.872 66.7073 -140.764 PRESSAVG: 3562200 16.5059 11.2253 2.16003 11.2253 -8.64375 -25.7576 2.16003 -25.7576 2.5942 GPRESSAVG: 3562200 17.5359 11.3603 1.02878 10.9378 -9.26683 -25.043 4.84298 -24.5654 2.22244 TIMING: 3562200 CPU: 11256.6, 0.00315351/step Wall: 11256.6, 0.00315351/step, 1.25948 hours remaining, 237.632812 MB of memory in use. ENERGY: 3562200 4035.9991 20453.2935 14373.9135 241.8982 -203764.8904 2870.6838 0.0000 0.0000 51942.0897 -109847.0125 298.5119 -161789.1022 -109493.9734 298.5954 120.7217 145.2641 760688.8505 3.4855 3.4972 PRESSURE: 3562400 156.839 -84.3324 19.7441 -84.3337 38.2019 -240.835 19.7442 -240.834 -112.401 GPRESSURE: 3562400 130.365 18.5862 -25.327 -165.694 87.5092 -195.991 -30.9389 -222.355 -47.2895 PRESSAVG: 3562400 -15.8235 14.9154 28.7803 14.9154 8.6999 -41.3709 28.7803 -41.371 -25.8243 GPRESSAVG: 3562400 -16.8938 15.6346 28.1722 15.2838 8.53402 -43.3699 27.0142 -38.5407 -24.3483 TIMING: 3562400 CPU: 11257.2, 0.00314733/step Wall: 11257.2, 0.00314733/step, 1.25683 hours remaining, 237.632812 MB of memory in use. ENERGY: 3562400 4003.0195 20491.8079 14517.3652 251.4165 -203754.5999 2545.9355 0.0000 0.0000 51874.6903 -110070.3649 298.1246 -161945.0552 -109719.2285 298.0754 27.5464 56.8616 758539.0741 -10.9826 -10.9027 PRESSURE: 3562600 38.8491 15.0365 -28.7756 15.0374 25.4706 116.346 -28.7761 116.345 -120.53 GPRESSURE: 3562600 32.5451 -70.862 -68.4418 90.2084 77.4764 113.481 39.7415 173.553 -72.5206 PRESSAVG: 3562600 -2.60771 -9.62882 -5.28688 -9.62888 -13.1361 4.186 -5.28685 4.18596 4.61733 GPRESSAVG: 3562600 -1.65934 -9.47642 -3.84747 -8.77115 -12.9199 5.68243 -5.03959 2.53321 3.18063 TIMING: 3562600 CPU: 11257.9, 0.00315444/step Wall: 11257.9, 0.00315444/step, 1.2595 hours remaining, 237.632812 MB of memory in use. ENERGY: 3562600 3934.8195 20585.2327 14522.0814 247.2236 -203428.6890 2631.2863 0.0000 0.0000 51600.4807 -109907.5648 296.5487 -161508.0455 -109549.2080 297.6088 -18.7368 12.5003 760816.0241 -3.7088 -3.7995 PRESSURE: 3562800 -201.261 31.949 156.438 31.9484 100.503 277.165 156.438 277.166 299.672 GPRESSURE: 3562800 -128.237 111.929 114.177 53.192 121.143 147.933 102.16 253.414 279.999 PRESSAVG: 3562800 -15.853 2.12668 -33.3552 2.12671 28.4269 33.4071 -33.3553 33.4071 -5.05905 GPRESSAVG: 3562800 -16.6924 0.00528555 -33.117 0.0259815 28.5956 32.022 -32.4953 32.0625 -4.5754 TIMING: 3562800 CPU: 11258.5, 0.0031515/step Wall: 11258.5, 0.0031515/step, 1.25815 hours remaining, 237.632812 MB of memory in use. ENERGY: 3562800 3959.4797 20396.1449 14451.3113 255.0971 -203570.6567 2662.2935 0.0000 0.0000 51839.1831 -110007.1472 297.9205 -161846.3302 -109645.1886 297.9171 66.3045 90.9682 760632.2524 2.5049 2.4426 PRESSURE: 3563000 -249.919 45.3406 -6.32343 45.3402 -182.522 67.1172 -6.32316 67.1179 278.901 GPRESSURE: 3563000 -220.855 -39.787 -88.6527 11.5591 -161.929 21.5547 113.812 40.461 308.884 PRESSAVG: 3563000 -39.5163 -67.7088 0.0935406 -67.7088 14.3419 36.9515 0.0936213 36.9516 -27.3252 GPRESSAVG: 3563000 -38.6258 -67.4395 -0.922768 -65.631 13.123 36.9845 -0.788296 37.3814 -27.6529 TIMING: 3563000 CPU: 11259.1, 0.00314276/step Wall: 11259.1, 0.00314276/step, 1.25448 hours remaining, 237.632812 MB of memory in use. ENERGY: 3563000 3969.0766 20500.9937 14388.6494 228.1722 -203510.1655 2640.2278 0.0000 0.0000 51855.4263 -109927.6195 298.0138 -161783.0458 -109564.9059 298.2383 -51.1801 -24.6335 762331.6693 -17.4999 -17.7186 PRESSURE: 3563200 274.854 151.319 -213.409 151.319 7.93483 -250.347 -213.409 -250.347 52.0027 GPRESSURE: 3563200 299.689 182.274 -245.235 152.328 1.01439 -181.88 -99.701 -181.126 135.805 PRESSAVG: 3563200 -11.371 -1.07317 12.632 -1.07315 13.7854 33.9209 12.6319 33.9209 -4.61688 GPRESSAVG: 3563200 -12.6186 -0.68275 13.4748 -2.84326 14.0772 35.5429 12.9543 33.4076 -3.5708 TIMING: 3563200 CPU: 11259.8, 0.00314979/step Wall: 11259.8, 0.0031498/step, 1.25712 hours remaining, 237.632812 MB of memory in use. ENERGY: 3563200 3942.2675 20412.6026 14399.1803 259.4624 -203729.1868 2799.9438 0.0000 0.0000 52197.1772 -109718.5530 299.9779 -161915.7302 -109363.4024 298.5742 111.5970 145.5027 759376.0016 -0.7342 -0.7041 PRESSURE: 3563400 132.339 -26.5037 23.5675 -26.5034 70.7714 54.0432 23.5681 54.0439 384.888 GPRESSURE: 3563400 132.067 -123.958 -5.44175 10.6192 144.07 -9.87568 -35.0338 44.2487 412.769 PRESSAVG: 3563400 -42.095 14.3181 10.8857 14.3182 -12.2709 -22.0257 10.8857 -22.0258 -15.4418 GPRESSAVG: 3563400 -41.1304 13.106 10.3715 15.6086 -13.0997 -21.889 10.2704 -20.3714 -15.9061 TIMING: 3563400 CPU: 11260.4, 0.00315162/step Wall: 11260.4, 0.00315162/step, 1.25767 hours remaining, 237.632812 MB of memory in use. ENERGY: 3563400 4009.8871 20430.5636 14443.4938 254.9220 -203903.1876 2966.2728 0.0000 0.0000 51876.0142 -109922.0340 298.1322 -161798.0482 -109566.7978 298.5367 195.9997 229.6352 759898.9958 -23.2692 -23.3788 PRESSURE: 3563600 198.161 149.431 184.974 149.431 107.907 112.136 184.974 112.137 488.353 GPRESSURE: 3563600 336.926 119.88 179.237 236.89 124.568 35.2385 190.831 55.8707 431.389 PRESSAVG: 3563600 66.2942 -13.9646 -14.4648 -13.9646 11.6451 -23.7142 -14.4648 -23.7142 19.7372 GPRESSAVG: 3563600 66.5271 -13.8387 -15.1844 -15.4835 13.1397 -24.9317 -13.938 -24.3413 18.3324 TIMING: 3563600 CPU: 11261, 0.00315194/step Wall: 11261, 0.00315194/step, 1.25762 hours remaining, 237.632812 MB of memory in use. ENERGY: 3563600 3939.7745 20385.7094 14358.5304 255.6827 -203686.2006 2828.7196 0.0000 0.0000 52225.7604 -109692.0235 300.1422 -161917.7839 -109336.0072 298.2980 264.8073 297.6278 759848.9163 32.5588 32.6664 PRESSURE: 3563800 -5.49107 -88.0356 71.5209 -88.0352 156.235 44.357 71.521 44.356 -165.951 GPRESSURE: 3563800 71.7959 -96.6443 72.7851 -36.9355 60.7335 137.554 -24.6944 40.9745 -79.5364 PRESSAVG: 3563800 35.8373 -31.665 -47.0357 -31.6649 -24.4843 23.7231 -47.0356 23.7232 4.32104 GPRESSAVG: 3563800 36.2976 -31.9204 -46.8836 -28.3126 -26.0065 24.0587 -48.7102 22.7358 5.3652 TIMING: 3563800 CPU: 11261.6, 0.00314291/step Wall: 11261.6, 0.00314291/step, 1.25385 hours remaining, 237.632812 MB of memory in use. ENERGY: 3563800 3938.9476 20526.7517 14461.3235 240.1798 -203855.8961 2744.4414 0.0000 0.0000 52004.5993 -109939.6529 298.8711 -161944.2521 -109580.7137 298.1638 -5.0689 17.6643 759125.6510 5.2247 5.2188 PRESSURE: 3564000 -169.584 -148.781 85.8053 -148.781 -181.273 111.138 85.8058 111.138 139.1 GPRESSURE: 3564000 -107.61 -57.5298 91.1087 -86.3822 -178.887 168.974 240.626 -8.38726 145.069 PRESSAVG: 3564000 24.4131 -16.975 -10.9071 -16.975 -50.434 -26.7612 -10.907 -26.7612 -11.0047 GPRESSAVG: 3564000 24.4818 -16.4782 -10.918 -19.1593 -50.2477 -27.1942 -8.17321 -24.9294 -11.8889 TIMING: 3564000 CPU: 11262.3, 0.00314749/step Wall: 11262.3, 0.00314749/step, 1.2555 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: 3564000 4083.9236 20410.3874 14434.7712 256.9414 -203885.8938 2912.4835 0.0000 0.0000 51873.3397 -109914.0470 298.1168 -161787.3867 -109568.5593 298.4172 -70.5853 -47.1428 759812.6956 -12.3418 -12.5516 PRESSURE: 3564200 74.0533 -131.695 85.6623 -131.695 -231.422 148.613 85.6629 148.614 -173.424 GPRESSURE: 3564200 120.226 -132.062 90.0401 34.6975 -188.338 117.242 28.2599 28.6865 -154.138 PRESSAVG: 3564200 26.9136 7.27755 35.1609 7.27761 8.20839 -2.99009 35.1609 -2.99009 8.35731 GPRESSAVG: 3564200 25.768 7.52121 35.225 7.708 9.72857 -1.69636 33.4619 -4.70934 8.10908 TIMING: 3564200 CPU: 11262.9, 0.00312872/step Wall: 11262.9, 0.00312872/step, 1.24784 hours remaining, 237.632812 MB of memory in use. ENERGY: 3564200 3987.9548 20481.0725 14445.4129 260.1346 -203606.0702 2410.9857 0.0000 0.0000 52073.0782 -109947.4316 299.2647 -162020.5098 -109594.2682 298.2452 -110.2641 -74.0831 759728.2231 14.4931 14.5352 LDB: ============= START OF LOAD BALANCING ============== 11275.4 LDB: ============== END OF LOAD BALANCING =============== 11275.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11275.4 LDB: ============= START OF LOAD BALANCING ============== 11275.8 LDB: Largest compute 7073 load 0.030523 is 15.6% of average load 0.195656 LDB: Average compute 0.004374 is 2.2% of average load 0.195656 LDB: TIME 11275.8 LOAD: AVG 0.195656 MAX 0.214225 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.848 MB LDB: TIME 11275.8 LOAD: AVG 0.195656 MAX 0.214225 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: TIME 11275.8 LOAD: AVG 0.195656 MAX 0.214225 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.848 MB LDB: ============== END OF LOAD BALANCING =============== 11275.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11275.8 PRESSURE: 3564400 227.328 215.369 30.0538 215.369 47.8611 112.017 30.054 112.017 87.8462 GPRESSURE: 3564400 153.137 335.967 98.5399 191.076 161.637 188.86 54.0253 91.4532 140.194 PRESSAVG: 3564400 26.0808 5.76457 -18.7079 5.76457 -36.2375 39.3941 -18.7079 39.3941 -31.2865 GPRESSAVG: 3564400 24.8781 6.488 -17.5987 5.94847 -35.5535 38.0289 -19.4888 39.0396 -31.2221 TIMING: 3564400 CPU: 11263.5, 0.0032126/step Wall: 11263.5, 0.0032126/step, 1.28111 hours remaining, 235.250000 MB of memory in use. ENERGY: 3564400 3995.5073 20355.9297 14449.3089 255.5996 -203976.4862 2967.5658 0.0000 0.0000 52059.0466 -109893.5284 299.1841 -161952.5750 -109532.9244 297.8235 121.0119 151.6562 761069.5253 -13.8144 -13.9658 PRESSURE: 3564600 -318.425 -237.28 -102.526 -237.28 -454.647 105.442 -102.527 105.444 -374.356 GPRESSURE: 3564600 -304.56 -217.155 -3.87004 -173.062 -321.629 -34.5283 -50.0688 171.811 -420.117 PRESSAVG: 3564600 -0.728172 26.8043 23.2632 26.8043 -27.6945 3.20651 23.2631 3.20651 35.3761 GPRESSAVG: 3564600 2.47858 25.7172 22.7686 27.8018 -28.9617 3.15015 25.0098 4.29534 33.5701 TIMING: 3564600 CPU: 11264.2, 0.00313697/step Wall: 11264.2, 0.00313697/step, 1.25078 hours remaining, 235.453125 MB of memory in use. ENERGY: 3564600 4034.3444 20528.6508 14447.8673 241.2928 -203112.8027 2244.3285 0.0000 0.0000 51874.5090 -109741.8100 298.1235 -161616.3189 -109379.6079 298.4002 -382.4762 -348.7687 761449.3575 2.3178 2.3623 PRESSURE: 3564800 -413.641 -23.0762 -169.847 -23.0761 -117.693 -69.4041 -169.848 -69.4037 -210.048 GPRESSURE: 3564800 -358.214 -21.5438 -174.303 21.699 -46.3091 -141.651 -335.772 -43.7507 -270.307 PRESSAVG: 3564800 -33.8914 -13.2602 66.6238 -13.2602 33.2557 -21.3032 66.6238 -21.3032 -14.9336 GPRESSAVG: 3564800 -35.6526 -10.9557 65.443 -13.1398 33.6413 -21.1619 66.0798 -23.3319 -13.4408 TIMING: 3564800 CPU: 11264.8, 0.00315542/step Wall: 11264.8, 0.00315542/step, 1.25796 hours remaining, 235.453125 MB of memory in use. ENERGY: 3564800 4009.9333 20644.5406 14466.3039 234.4382 -203225.2453 2287.7206 0.0000 0.0000 51827.5181 -109754.7907 297.8535 -161582.3087 -109388.6974 298.5958 -247.1273 -224.9434 763144.2597 -5.1898 -5.1507 PRESSURE: 3565000 -9.85836 110.479 168.09 110.479 -206.659 81.8304 168.09 81.8315 -212.351 GPRESSURE: 3565000 -75.5418 24.7231 85.409 -14.3987 -29.7137 -28.6532 134.022 -63.3939 -226.751 PRESSAVG: 3565000 -11.0214 -58.8276 -21.1694 -58.8277 -9.06014 -43.0406 -21.1694 -43.0405 -3.43126 GPRESSAVG: 3565000 -11.4111 -61.8804 -20.413 -58.6144 -8.89274 -44.3355 -20.7807 -41.4676 -2.79367 TIMING: 3565000 CPU: 11265.4, 0.00313885/step Wall: 11265.4, 0.00313885/step, 1.25118 hours remaining, 235.453125 MB of memory in use. ENERGY: 3565000 4101.3494 20572.0784 14365.5329 244.4941 -203570.8621 2683.0267 0.0000 0.0000 51867.3791 -109737.0015 298.0825 -161604.3806 -109376.1114 298.3938 -142.9561 -110.6688 762018.6461 -7.8376 -7.6992 PRESSURE: 3565200 -402.671 -135.295 -36.7143 -135.295 -21.8729 -4.25309 -36.7134 -4.25342 -242.755 GPRESSURE: 3565200 -278.699 -51.5436 -1.2465 -173.459 60.8937 26.8379 45.1021 -79.681 -364.742 PRESSAVG: 3565200 46.9059 30.0685 9.9771 30.0685 -57.0324 -24.9652 9.97712 -24.9653 17.4379 GPRESSAVG: 3565200 48.4134 29.7148 10.1623 28.8218 -57.7061 -23.461 9.03071 -27.6975 16.7366 TIMING: 3565200 CPU: 11266.1, 0.00316642/step Wall: 11266.1, 0.00316642/step, 1.262 hours remaining, 235.453125 MB of memory in use. ENERGY: 3565200 4073.3929 20474.7738 14403.4128 231.6134 -203556.9781 2638.6736 0.0000 0.0000 51931.3128 -109803.7987 298.4500 -161735.1115 -109446.3907 298.4705 -222.4332 -194.1824 760887.0652 2.4371 2.4813 PRESSURE: 3565400 -89.6408 -186.595 -126.645 -186.595 392.115 17.0684 -126.645 17.0668 -33.0455 GPRESSURE: 3565400 -89.5616 -209.527 -191.12 -42.4866 389.936 108.119 -116.095 116.104 20.0793 PRESSAVG: 3565400 -3.59674 -21.2029 -29.3505 -21.203 36.1523 -10.8417 -29.3505 -10.8417 -8.99621 GPRESSAVG: 3565400 -3.36067 -22.8576 -29.7167 -19.5009 35.4338 -13.3556 -26.9131 -6.4987 -8.62262 TIMING: 3565400 CPU: 11266.7, 0.00316058/step Wall: 11266.7, 0.00316058/step, 1.25949 hours remaining, 235.453125 MB of memory in use. ENERGY: 3565400 3980.2075 20642.1574 14461.6582 253.8720 -204048.3871 2885.9932 0.0000 0.0000 51962.9635 -109861.5352 298.6319 -161824.4988 -109501.5857 298.3783 89.8096 106.8179 760864.1240 7.8531 7.8168 PRESSURE: 3565600 -501.603 -50.0369 -152.938 -50.0375 62.9813 332.323 -152.939 332.321 135.481 GPRESSURE: 3565600 -385.225 -121.164 -256.916 -107.795 94.7692 413.123 -134.17 306.321 63.5489 PRESSAVG: 3565600 -4.20124 28.82 -29.4547 28.82 14.4533 33.742 -29.4547 33.7421 -29.4072 GPRESSAVG: 3565600 -4.46199 33.4575 -31.0349 26.6575 15.4443 35.7469 -30.7293 35.2792 -29.9146 TIMING: 3565600 CPU: 11267.3, 0.00314791/step Wall: 11267.3, 0.00314791/step, 1.25427 hours remaining, 235.453125 MB of memory in use. ENERGY: 3565600 3885.7598 20527.6485 14387.8403 249.3136 -203756.0797 2618.0336 0.0000 0.0000 52132.2756 -109955.2084 299.6049 -162087.4840 -109584.7064 298.2512 -101.0470 -75.6355 760225.8767 -6.3850 -6.3108 PRESSURE: 3565800 -92.1666 -24.251 26.6096 -24.2507 -45.9112 -166.786 26.6086 -166.785 167.846 GPRESSURE: 3565800 -126.441 -90.4321 112.658 -10.5075 23.237 -146.383 -55.4205 -182.489 202.443 PRESSAVG: 3565800 -29.6002 25.7228 -61.2465 25.7228 -15.791 26.0309 -61.2465 26.0309 7.57205 GPRESSAVG: 3565800 -29.566 23.9704 -60.0867 26.1891 -15.8349 25.6399 -61.0748 24.0462 7.34581 TIMING: 3565800 CPU: 11268, 0.00314829/step Wall: 11268, 0.00314829/step, 1.25424 hours remaining, 235.453125 MB of memory in use. ENERGY: 3565800 3980.6801 20528.9731 14380.3018 242.9140 -203439.7862 2611.2500 0.0000 0.0000 51857.6484 -109838.0189 298.0266 -161695.6673 -109481.0826 298.5889 9.9227 33.0797 761475.1338 -12.6064 -12.6850 PRESSURE: 3566000 21.1717 -106.854 -99.6118 -106.854 393.177 57.3708 -99.6112 57.3712 -536.664 GPRESSURE: 3566000 66.1669 24.1242 -100.161 -219.176 414.125 142.334 -43.2576 -47.8889 -528.839 PRESSAVG: 3566000 -73.3828 17.6992 5.65885 17.6992 27.2843 76.7368 5.65883 76.7368 18.4679 GPRESSAVG: 3566000 -74.0273 17.8296 4.67926 18.4624 27.3397 77.3402 7.34444 76.7423 19.0176 TIMING: 3566000 CPU: 11268.6, 0.00315951/step Wall: 11268.6, 0.00315951/step, 1.25854 hours remaining, 235.453125 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: 3566000 4053.1880 20444.6918 14436.0863 231.0936 -203710.2868 2754.7188 0.0000 0.0000 51964.2854 -109826.2229 298.6395 -161790.5083 -109455.2024 298.2145 -40.7716 -16.1824 759695.1927 -9.2102 -9.2233 PRESSURE: 3566200 -232.902 -40.2315 36.0826 -40.2318 -373.079 91.4122 36.0829 91.4129 -26.2483 GPRESSURE: 3566200 -163.523 -116.984 -46.7529 -106.28 -309.937 18.5051 133.748 92.0397 -78.5969 PRESSAVG: 3566200 -71.9899 11.7531 37.2154 11.7531 52.5932 24.4189 37.2154 24.419 -19.4943 GPRESSAVG: 3566200 -71.0107 11.9202 38.1872 11.4158 52.3984 24.0556 36.3323 26.3885 -20.3152 TIMING: 3566200 CPU: 11269.2, 0.00314876/step Wall: 11269.2, 0.00314876/step, 1.25408 hours remaining, 235.453125 MB of memory in use. ENERGY: 3566200 4002.3050 20495.6263 14418.2443 255.2624 -203123.5247 2280.2215 0.0000 0.0000 51971.2991 -109700.5660 298.6798 -161671.8651 -109335.3850 298.5199 -210.7432 -184.0188 760500.4717 -12.9637 -12.9758 PRESSURE: 3566400 25.5004 16.5483 50.2471 16.5489 -247.401 -29.2758 50.2472 -29.2767 -336.822 GPRESSURE: 3566400 25.0504 -10.3139 53.9532 19.4021 -161.983 -55.8496 17.8381 -63.7639 -340.2 PRESSAVG: 3566400 25.1444 17.2196 20.105 17.2196 15.2369 24.6187 20.1049 24.6187 -10.3046 GPRESSAVG: 3566400 24.2644 18.2146 20.2508 16.8077 17.0786 24.5154 19.0268 23.6504 -11.1364 TIMING: 3566400 CPU: 11269.8, 0.00314474/step Wall: 11269.8, 0.00314474/step, 1.2523 hours remaining, 235.453125 MB of memory in use. ENERGY: 3566400 3989.5477 20410.2764 14423.6364 234.9458 -203337.4188 2558.7735 0.0000 0.0000 51981.1390 -109739.0999 298.7363 -161720.2389 -109377.0688 298.6689 -186.2407 -159.0440 761317.7859 10.0256 10.0689 PRESSURE: 3566600 -217.826 33.9 83.9366 33.8992 213.838 194.715 83.9374 194.715 267.881 GPRESSURE: 3566600 -91.5152 129.594 56.6064 37.2376 178.598 163.124 216.933 139.986 270.015 PRESSAVG: 3566600 -64.7411 10.8586 -16.0386 10.8586 19.6326 63.8639 -16.0386 63.8639 18.7999 GPRESSAVG: 3566600 -64.4113 9.80898 -14.4134 9.26864 18.6856 62.6695 -15.5366 64.0612 19.7113 TIMING: 3566600 CPU: 11270.5, 0.00314762/step Wall: 11270.5, 0.00314762/step, 1.25328 hours remaining, 235.453125 MB of memory in use. ENERGY: 3566600 3947.9869 20447.7708 14491.0193 261.4675 -203781.9927 2640.5489 0.0000 0.0000 52240.7683 -109752.4309 300.2284 -161993.1992 -109403.8366 298.9498 87.9643 119.0323 759261.1536 -8.7695 -8.6715 PRESSURE: 3566800 135.651 -128.723 115.754 -128.723 207.186 106.466 115.755 106.466 -159.169 GPRESSURE: 3566800 197.499 -21.016 157.753 9.22058 275.939 158.772 57.7143 144.52 -196.982 PRESSAVG: 3566800 -2.82285 17.2158 -2.78797 17.2158 26.3485 45.823 -2.78801 45.823 -1.72431 GPRESSAVG: 3566800 -4.22985 17.7902 -2.96419 21.1413 26.6554 46.7168 -2.7402 46.3712 0.0200566 TIMING: 3566800 CPU: 11271.1, 0.00314608/step Wall: 11271.1, 0.00314608/step, 1.25249 hours remaining, 235.453125 MB of memory in use. ENERGY: 3566800 4012.3734 20391.0059 14366.8424 239.3960 -203566.2657 2751.1364 0.0000 0.0000 52041.8137 -109763.6977 299.0850 -161805.5115 -109400.0912 298.9674 61.2227 92.1519 761838.4694 7.2671 7.4819 PRESSURE: 3567000 -261.174 115.592 88.2054 115.592 -32.4695 34.5964 88.2057 34.5973 -187.346 GPRESSURE: 3567000 -226.233 89.5662 -11.8057 113.398 -56.7466 -30.8734 87.5105 -1.12 -117.912 PRESSAVG: 3567000 -37.1983 -30.5318 27.2028 -30.5318 23.6609 66.6911 27.2029 66.6911 -2.89789 GPRESSAVG: 3567000 -36.6233 -30.5278 25.2412 -32.3564 22.7387 68.15 27.3873 64.4475 -2.39879 TIMING: 3567000 CPU: 11271.7, 0.00314154/step Wall: 11271.7, 0.00314153/step, 1.25051 hours remaining, 235.453125 MB of memory in use. ENERGY: 3567000 3936.3020 20540.0640 14417.3930 245.9948 -203319.2927 2546.2220 0.0000 0.0000 51880.0327 -109753.2843 298.1553 -161633.3170 -109405.0151 298.5813 -160.3296 -133.6308 759330.0241 -5.4784 -5.4278 PRESSURE: 3567200 83.1182 65.7531 -8.91105 65.7531 -255.969 -123.474 -8.91095 -123.474 -202.136 GPRESSURE: 3567200 157.342 92.7134 -58.8111 34.0305 -167.364 -134.887 0.407659 -75.2978 -284.025 PRESSAVG: 3567200 19.9387 -11.2214 -38.6842 -11.2214 -14.0738 63.1227 -38.6841 63.1227 15.0396 GPRESSAVG: 3567200 20.3246 -12.7347 -37.8982 -11.0598 -11.99 61.516 -37.6618 65.9057 12.6611 TIMING: 3567200 CPU: 11272.4, 0.00314463/step Wall: 11272.4, 0.00314463/step, 1.25156 hours remaining, 235.453125 MB of memory in use. ENERGY: 3567200 3992.6689 20657.1238 14400.9408 228.5525 -202926.7381 2226.4227 0.0000 0.0000 51923.3490 -109497.6804 298.4042 -161421.0294 -109141.6238 298.9064 -124.9955 -98.0155 760726.6271 6.9682 6.9986 PRESSURE: 3567400 34.7159 -205.467 21.8224 -205.467 53.9554 -11.0524 21.8227 -11.0529 124.101 GPRESSURE: 3567400 53.2905 -231.318 95.291 -111.215 81.3723 -31.3349 25.9191 -5.10564 173.582 PRESSAVG: 3567400 -11.586 2.70479 30.295 2.70483 18.8509 24.6094 30.295 24.6094 -2.4505 GPRESSAVG: 3567400 -11.7799 0.914353 31.1472 3.09652 17.1779 23.7184 28.9689 25.5146 -0.841542 TIMING: 3567400 CPU: 11273, 0.00314945/step Wall: 11273, 0.00314945/step, 1.2533 hours remaining, 235.453125 MB of memory in use. ENERGY: 3567400 3961.6670 20390.6666 14413.6337 255.7747 -203678.3074 2661.5522 0.0000 0.0000 52443.3926 -109551.6206 301.3929 -161995.0132 -109189.8718 299.4081 70.9242 102.7482 759996.6497 1.6048 1.5188 PRESSURE: 3567600 294.937 53.9199 -10.1493 53.9201 328.888 -25.8056 -10.1494 -25.8052 150.807 GPRESSURE: 3567600 357.292 2.71551 -70.0231 67.3632 246.064 -19.3178 -183.177 -128.615 251.326 PRESSAVG: 3567600 76.9087 0.590191 -39.882 0.590103 -52.6142 -8.88284 -39.882 -8.88282 -0.0358691 GPRESSAVG: 3567600 77.7019 2.60787 -39.9987 -0.539256 -53.1248 -8.16801 -40.4066 -11.202 -0.455052 TIMING: 3567600 CPU: 11273.6, 0.00313226/step Wall: 11273.6, 0.00313226/step, 1.24629 hours remaining, 235.453125 MB of memory in use. ENERGY: 3567600 3942.7206 20326.4780 14449.2745 245.0678 -203047.6231 2648.0231 0.0000 0.0000 51882.3371 -109553.7219 298.1685 -161436.0590 -109188.2166 299.3638 258.2105 284.8937 760899.3730 8.0862 8.0407 PRESSURE: 3567800 54.7405 185.932 -113.084 185.933 81.9936 -38.2107 -113.083 -38.2104 55.2521 GPRESSURE: 3567800 175.204 67.7424 -140.695 91.7781 105.648 -112.429 -48.5108 -21.521 1.18677 PRESSAVG: 3567800 0.711445 14.5099 -56.4197 14.5099 -30.7337 6.10392 -56.4197 6.10392 21.7614 GPRESSAVG: 3567800 0.252009 13.9092 -56.1376 15.1479 -30.2957 5.32839 -54.9331 8.13051 21.4528 TIMING: 3567800 CPU: 11274.2, 0.00313248/step Wall: 11274.2, 0.00313248/step, 1.24621 hours remaining, 235.453125 MB of memory in use. ENERGY: 3567800 4004.4435 20202.1879 14489.8376 249.1434 -203333.7996 2612.3473 0.0000 0.0000 52230.7727 -109545.0672 300.1710 -161775.8398 -109181.0350 298.8476 63.9954 94.0130 760694.1882 -2.7536 -2.8636 PRESSURE: 3568000 -147.311 74.9561 169.753 74.957 -204.826 83.7735 169.753 83.7727 -257.939 GPRESSURE: 3568000 -117.721 59.7921 171.793 26.7457 -180.751 207.788 141.92 18.7625 -221.385 PRESSAVG: 3568000 -10.9056 23.3524 4.5458 23.3525 -34.6858 20.9408 4.54579 20.9409 21.4291 GPRESSAVG: 3568000 -10.2517 24.679 4.5862 22.8101 -34.7405 21.3842 4.88805 22.5928 21.5257 TIMING: 3568000 CPU: 11274.9, 0.00314664/step Wall: 11274.9, 0.00314664/step, 1.25167 hours remaining, 235.453125 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: 3568000 3925.0614 20658.1980 14455.4642 248.9017 -203362.7648 2432.8195 0.0000 0.0000 52121.8110 -109520.5090 299.5448 -161642.3200 -109162.1104 298.7831 -203.3586 -173.2859 762072.6558 -8.0541 -7.8222 PRESSURE: 3568200 -65.7602 -58.9062 -17.0435 -58.9071 30.3391 -168.899 -17.0431 -168.9 -106.655 GPRESSURE: 3568200 -0.111157 -106.591 36.4042 -129.947 77.1352 -138.961 -64.7866 -169.192 -133.714 PRESSAVG: 3568200 -4.96291 -4.14186 -25.5035 -4.14186 22.3601 -29.8772 -25.5035 -29.8773 23.9311 GPRESSAVG: 3568200 -6.00131 -5.61932 -24.162 -1.45669 23.1306 -28.9607 -25.5016 -31.8089 24.3204 TIMING: 3568200 CPU: 11275.5, 0.00314855/step Wall: 11275.5, 0.00314855/step, 1.25225 hours remaining, 235.453125 MB of memory in use. ENERGY: 3568200 3938.5994 20448.5880 14432.1871 240.3086 -203083.6126 2483.1260 0.0000 0.0000 51874.7260 -109666.0776 298.1248 -161540.8036 -109299.7900 298.6522 -47.3585 -18.8968 761725.4940 13.7761 13.8165 LDB: ============= START OF LOAD BALANCING ============== 11288 LDB: ============== END OF LOAD BALANCING =============== 11288 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11288 LDB: ============= START OF LOAD BALANCING ============== 11288.4 LDB: Largest compute 7074 load 0.031180 is 15.9% of average load 0.195637 LDB: Average compute 0.004377 is 2.2% of average load 0.195637 LDB: TIME 11288.4 LOAD: AVG 0.195637 MAX 0.213702 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.441 MB LDB: TIME 11288.4 LOAD: AVG 0.195637 MAX 0.213702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: TIME 11288.4 LOAD: AVG 0.195637 MAX 0.213702 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.445 MB LDB: ============== END OF LOAD BALANCING =============== 11288.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11288.4 PRESSURE: 3568400 -10.3845 -232.92 268.825 -232.919 -185.295 142.559 268.824 142.559 -35.6755 GPRESSURE: 3568400 -44.6655 -184.309 230.636 -172.3 -149.684 247.453 196.072 94.9992 28.8956 PRESSAVG: 3568400 -21.0668 -31.129 25.5386 -31.129 33.4774 5.0221 25.5387 5.0221 13.5912 GPRESSAVG: 3568400 -20.9751 -29.8709 22.9059 -33.7924 33.8765 7.05405 23.6027 6.4175 12.9499 TIMING: 3568400 CPU: 11276.1, 0.0032068/step Wall: 11276.1, 0.0032068/step, 1.27524 hours remaining, 236.281250 MB of memory in use. ENERGY: 3568400 3947.5140 20462.7369 14411.9942 249.4948 -203080.6356 2435.0361 0.0000 0.0000 51909.3870 -109664.4726 298.3240 -161573.8596 -109296.4256 298.8183 -77.1182 -55.1512 761248.2648 8.6673 8.6171 PRESSURE: 3568600 -323.332 -97.0871 -58.3968 -97.0883 -4.18485 -12.85 -58.3971 -12.8507 -121.467 GPRESSURE: 3568600 -314.344 36.6301 -77.3691 -29.6861 4.75017 -47.7877 21.1741 -95.8643 -85.7838 PRESSAVG: 3568600 -4.03293 -4.48767 -26.6964 -4.48766 -9.62945 -13.6623 -26.6964 -13.6623 -6.08834 GPRESSAVG: 3568600 -5.03952 -5.51074 -26.6769 -5.09344 -10.0309 -14.9435 -24.4905 -14.8792 -5.31717 TIMING: 3568600 CPU: 11276.8, 0.00314388/step Wall: 11276.8, 0.00314388/step, 1.25004 hours remaining, 236.605469 MB of memory in use. ENERGY: 3568600 4035.2124 20381.1231 14443.1039 230.7515 -203104.3517 2445.7945 0.0000 0.0000 51838.6060 -109729.7604 297.9172 -161568.3664 -109370.5252 298.6370 -149.6613 -131.7927 762044.9494 -6.5836 -6.7959 PRESSURE: 3568800 352.585 42.5466 73.5277 42.5462 -228.159 -50.216 73.5289 -50.217 229.447 GPRESSURE: 3568800 298.927 -17.4105 10.52 5.46191 -179.582 -7.45932 235.16 -23.8482 311.938 PRESSAVG: 3568800 19.5038 -1.97919 -3.17798 -1.97921 -21.855 -2.94391 -3.178 -2.94402 3.08607 GPRESSAVG: 3568800 21.1562 -1.25848 -2.16947 0.0239979 -22.5151 -4.27276 -5.02903 -1.45625 2.47647 TIMING: 3568800 CPU: 11277.4, 0.00313558/step Wall: 11277.4, 0.00313558/step, 1.24657 hours remaining, 236.605469 MB of memory in use. ENERGY: 3568800 3970.2680 20545.7631 14446.7978 239.6052 -203202.8665 2427.5018 0.0000 0.0000 52149.1774 -109423.7532 299.7020 -161572.9306 -109069.5334 299.1878 117.9576 143.7608 760514.4765 0.2450 0.3725 PRESSURE: 3569000 276.162 141.474 399.923 141.473 -315.555 -93.3129 399.924 -93.3124 -31.5729 GPRESSURE: 3569000 221.088 145.42 547.603 120.208 -169.992 -7.84803 266.297 -159.125 -7.18238 PRESSAVG: 3569000 2.60513 -48.0378 34.3588 -48.0379 -35.8898 16.7465 34.3588 16.7465 21.255 GPRESSAVG: 3569000 3.0684 -48.913 34.1638 -48.8987 -36.112 17.8592 32.9292 12.0242 21.5491 TIMING: 3569000 CPU: 11278, 0.00314335/step Wall: 11278, 0.00314335/step, 1.24948 hours remaining, 236.605469 MB of memory in use. ENERGY: 3569000 3978.6250 20448.7143 14430.7469 243.2231 -203279.7386 2510.9006 0.0000 0.0000 52250.9666 -109416.5621 300.2870 -161667.5287 -109059.0017 299.2788 -23.6555 14.6376 761436.5050 -4.0099 -3.8315 PRESSURE: 3569200 -215.155 -143.363 82.3033 -143.364 -276.501 -52.3289 82.3031 -52.3286 -210.06 GPRESSURE: 3569200 -99.8636 -268.959 80.2905 -53.5442 -289.8 -80.132 103.397 -37.7971 -235.211 PRESSAVG: 3569200 17.8981 -19.824 7.93193 -19.824 4.63668 23.8742 7.93188 23.8741 -8.48185 GPRESSAVG: 3569200 17.9643 -19.2215 7.73763 -20.0984 4.74993 23.6137 11.2322 26.517 -8.80147 TIMING: 3569200 CPU: 11278.7, 0.00315387/step Wall: 11278.7, 0.00315387/step, 1.25349 hours remaining, 236.605469 MB of memory in use. ENERGY: 3569200 3912.9932 20630.8076 14492.4311 254.6821 -203249.6960 2378.9872 0.0000 0.0000 52120.5694 -109459.2254 299.5376 -161579.7948 -109101.1815 299.7792 -233.9054 -208.2913 761658.9033 4.6843 4.6376 PRESSURE: 3569400 10.6922 140.775 -244.578 140.775 154.473 -68.5636 -244.577 -68.5641 -10.5622 GPRESSURE: 3569400 -15.8413 88.7787 -198.291 104.944 108.616 -97.6806 -254.747 92.1808 140.033 PRESSAVG: 3569400 -12.3264 -46.1702 -1.70891 -46.1702 28.6128 19.0015 -1.70897 19.0015 10.7683 GPRESSAVG: 3569400 -11.4269 -45.5351 -3.10637 -46.878 27.333 19.1907 -0.385618 20.3086 11.1893 TIMING: 3569400 CPU: 11279.3, 0.003159/step Wall: 11279.3, 0.003159/step, 1.25535 hours remaining, 236.605469 MB of memory in use. ENERGY: 3569400 3970.4395 20511.3186 14556.0776 259.2251 -203783.3140 3005.3757 0.0000 0.0000 51987.7935 -109493.0839 298.7746 -161480.8775 -109128.9140 299.0063 51.5344 77.6025 761403.5437 9.0183 9.0318 PRESSURE: 3569600 8.91499 -63.9746 70.1359 -63.9744 29.2894 136.87 70.1355 136.872 130.529 GPRESSURE: 3569600 148.36 -183.158 31.7069 -151.195 -42.5607 138.408 114.388 23.7807 136.31 PRESSAVG: 3569600 -27.2651 -50.6756 -35.1973 -50.6756 17.7323 32.5699 -35.1974 32.57 26.8732 GPRESSAVG: 3569600 -27.9528 -49.8165 -35.482 -49.3472 18.7575 32.0274 -37.3478 29.9631 26.6226 TIMING: 3569600 CPU: 11279.9, 0.00317164/step Wall: 11279.9, 0.00317164/step, 1.2602 hours remaining, 236.605469 MB of memory in use. ENERGY: 3569600 4001.9574 20561.5980 14429.8459 251.4717 -203859.5561 2832.0076 0.0000 0.0000 52034.8775 -109747.7979 299.0452 -161782.6755 -109389.8679 298.8120 56.2445 80.7031 759913.6720 5.7801 5.8091 PRESSURE: 3569800 -289.016 -217.649 -128.577 -217.649 -92.231 108.603 -128.577 108.603 -124.055 GPRESSURE: 3569800 -232.542 -67.0558 -118.316 -204.883 -5.56293 95.9141 -228.64 210.266 -167.335 PRESSAVG: 3569800 -43.3293 -46.773 46.5775 -46.773 50.6998 -9.57655 46.5775 -9.57653 4.0019 GPRESSAVG: 3569800 -43.9899 -45.9911 45.9327 -47.9283 52.6525 -9.01959 47.717 -7.15015 2.8723 TIMING: 3569800 CPU: 11280.6, 0.00314417/step Wall: 11280.6, 0.00314417/step, 1.24911 hours remaining, 236.605469 MB of memory in use. ENERGY: 3569800 4044.8346 20475.1924 14447.8120 253.9684 -203180.9975 2627.2647 0.0000 0.0000 51736.7452 -109595.1801 297.3318 -161331.9253 -109246.3820 299.7805 -168.4337 -135.1466 760804.6842 3.7908 3.8450 PRESSURE: 3570000 -125.932 -136.869 120.262 -136.869 58.7486 155.902 120.262 155.902 -145.153 GPRESSURE: 3570000 -65.8339 -187.495 59.4701 43.1953 4.71078 133.203 139.37 26.9979 -50.4084 PRESSAVG: 3570000 23.1454 -48.4849 30.4511 -48.4848 -9.26983 -33.9592 30.4511 -33.9591 -4.23884 GPRESSAVG: 3570000 22.1875 -48.5147 32.1352 -47.4946 -10.5523 -34.7254 30.6666 -32.112 -2.29494 TIMING: 3570000 CPU: 11281.2, 0.00313261/step Wall: 11281.2, 0.00313261/step, 1.24434 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: 3570000 4030.5627 20434.1469 14412.4672 248.0658 -203248.0524 2423.2111 0.0000 0.0000 52261.5389 -109438.0598 300.3478 -161699.5987 -109074.8881 299.3513 -70.7788 -37.1772 760911.3615 3.2122 3.1134 PRESSURE: 3570200 -70.4722 -90.1847 43.9946 -90.1847 -254.633 43.9449 43.995 43.9448 -151.432 GPRESSURE: 3570200 17.8344 -180.666 -54.0481 -112.508 -205.064 21.5099 107.184 -92.5231 -207.94 PRESSAVG: 3570200 13.181 -69.6181 -8.42042 -69.6182 9.57337 7.61349 -8.42043 7.61351 14.8754 GPRESSAVG: 3570200 13.5554 -70.0438 -8.19217 -69.9443 10.4056 7.52181 -9.58132 4.87619 13.5954 TIMING: 3570200 CPU: 11281.8, 0.00315288/step Wall: 11281.8, 0.00315288/step, 1.25222 hours remaining, 236.605469 MB of memory in use. ENERGY: 3570200 3975.7157 20591.9929 14477.5974 260.0777 -203247.6288 2439.1239 0.0000 0.0000 52210.7897 -109292.3315 300.0561 -161503.1211 -108923.0628 299.7454 -158.8459 -131.7232 758918.8879 12.5432 12.5188 PRESSURE: 3570400 -221.173 -271.705 279.804 -271.704 125.066 84.5789 279.804 84.5788 82.0073 GPRESSURE: 3570400 -195.879 -186.536 297.515 -316.157 123.701 61.1474 334.635 20.4115 135.617 PRESSAVG: 3570400 20.7129 -57.8004 -17.8165 -57.8004 -19.2823 87.5958 -17.8164 87.5957 21.3448 GPRESSAVG: 3570400 21.1479 -58.7788 -18.5764 -57.5415 -20.0647 88.1871 -17.2093 88.0979 22.5141 TIMING: 3570400 CPU: 11282.4, 0.00314617/step Wall: 11282.4, 0.00314617/step, 1.24938 hours remaining, 236.605469 MB of memory in use. ENERGY: 3570400 3942.9022 20601.4430 14461.0723 257.3080 -203617.4928 2642.2370 0.0000 0.0000 52189.5436 -109522.9866 299.9340 -161712.5302 -109158.4256 299.9539 -4.6999 21.1465 761353.9665 7.5918 7.8658 PRESSURE: 3570600 -203.157 -37.0005 20.706 -37.0001 177.347 -279.113 20.7053 -279.114 -92.2996 GPRESSURE: 3570600 -68.5079 -41.5024 38.1756 -69.7157 146.096 -317.744 5.30714 -191.643 -109.321 PRESSAVG: 3570600 -30.9177 -74.9796 -15.8515 -74.9796 -7.94015 -10.1239 -15.8514 -10.124 -8.62394 GPRESSAVG: 3570600 -30.4986 -76.0592 -15.2263 -73.3839 -7.12148 -11.1631 -16.5257 -11.6598 -9.55673 TIMING: 3570600 CPU: 11283.1, 0.00315915/step Wall: 11283.1, 0.00315915/step, 1.25436 hours remaining, 236.605469 MB of memory in use. ENERGY: 3570600 3984.6247 20553.8715 14507.6681 264.2290 -203940.8697 2679.8310 0.0000 0.0000 52341.7290 -109608.9163 300.8086 -161950.6454 -109250.2770 299.6132 -39.3697 -10.5777 758096.9838 -15.8273 -15.7256 PRESSURE: 3570800 0.1049 -191.354 -104.798 -191.352 88.426 -32.5134 -104.798 -32.5128 247.904 GPRESSURE: 3570800 164.966 -199.605 -104.652 -244.971 74.8826 -44.7896 -105.905 -91.9272 159.422 PRESSAVG: 3570800 -7.25955 -89.1655 1.38376 -89.1654 3.52666 -25.0551 1.38371 -25.0551 1.0939 GPRESSAVG: 3570800 -7.37464 -90.5456 0.132792 -88.4779 3.61795 -24.4728 3.29735 -22.5554 1.30652 TIMING: 3570800 CPU: 11283.7, 0.00315044/step Wall: 11283.7, 0.00315044/step, 1.25073 hours remaining, 236.605469 MB of memory in use. ENERGY: 3570800 4074.1495 20590.9616 14403.7538 238.6980 -203138.6858 2418.1864 0.0000 0.0000 51957.7686 -109455.1677 298.6020 -161412.9363 -109088.0784 299.7066 112.1451 133.0905 760831.8402 -0.8797 -0.8167 PRESSURE: 3571000 -220.228 -91.0685 229.151 -91.0676 22.1262 -40.6355 229.152 -40.6353 29.3524 GPRESSURE: 3571000 -94.3613 8.1982 209.277 -232.742 -8.97776 -117.973 243.939 60.5959 9.26001 PRESSAVG: 3571000 -57.5798 -22.7191 -0.246476 -22.7191 -2.02221 -42.2849 -0.246496 -42.2849 -8.14359 GPRESSAVG: 3571000 -57.0635 -18.5358 1.55783 -26.6578 -2.08165 -41.4984 -1.0457 -43.3277 -9.05148 TIMING: 3571000 CPU: 11284.3, 0.00318087/step Wall: 11284.3, 0.00318087/step, 1.26263 hours remaining, 236.605469 MB of memory in use. ENERGY: 3571000 4064.8156 20608.7115 14428.3980 233.6144 -203351.9648 2338.5302 0.0000 0.0000 52222.1569 -109455.7382 300.1215 -161677.8951 -109092.1481 299.1268 -56.2498 -31.3597 761130.9713 -22.5819 -22.7322 PRESSURE: 3571200 -149.378 -120.63 288.538 -120.628 -20.3057 41.1473 288.538 41.1479 127.817 GPRESSURE: 3571200 -83.6559 -204.069 345.528 101.847 -3.72265 17.3409 140.117 75.8828 120.024 PRESSAVG: 3571200 37.0435 -15.7233 -22.0439 -15.7233 18.3625 9.34094 -22.0439 9.34099 11.1242 GPRESSAVG: 3571200 35.7822 -17.7918 -21.1153 -11.2901 18.1877 9.74285 -23.1544 9.49172 12.1727 TIMING: 3571200 CPU: 11285, 0.00315642/step Wall: 11285, 0.00315642/step, 1.25275 hours remaining, 236.605469 MB of memory in use. ENERGY: 3571200 3949.0296 20658.7046 14449.8304 237.1375 -203749.8476 2721.3906 0.0000 0.0000 52180.0029 -109553.7520 299.8792 -161733.7549 -109190.4819 299.9700 -13.9557 10.8817 758662.1244 22.1767 22.0476 PRESSURE: 3571400 -360.891 20.0473 -3.52603 20.0475 37.3508 -13.7242 -3.52508 -13.7226 -217.917 GPRESSURE: 3571400 -216.015 92.1145 -80.2557 -99.9143 20.4933 -32.7235 62.652 -29.5786 -243.727 PRESSAVG: 3571400 3.99812 -8.63587 6.21959 -8.63585 28.4466 -13.799 6.21956 -13.799 0.901945 GPRESSAVG: 3571400 4.92712 -7.64005 3.8023 -11.8968 27.8686 -13.8697 7.71284 -12.1281 -0.165592 TIMING: 3571400 CPU: 11285.6, 0.00313115/step Wall: 11285.6, 0.00313115/step, 1.24255 hours remaining, 236.605469 MB of memory in use. ENERGY: 3571400 4028.9790 20546.2110 14463.6460 257.3382 -203016.5047 2106.6605 0.0000 0.0000 51970.2613 -109643.4087 298.6738 -161613.6700 -109278.9989 299.2086 -180.4857 -146.4161 759383.6523 11.1156 10.8767 PRESSURE: 3571600 72.105 -235.33 137.901 -235.33 -206.277 181.811 137.9 181.811 -80.0173 GPRESSURE: 3571600 64.3101 -81.9435 194.052 -252.233 -78.0428 112.315 185.244 236.624 -104.51 PRESSAVG: 3571600 -15.1959 -32.239 -1.49769 -32.239 26.6885 62.5994 -1.49769 62.5994 -13.4637 GPRESSAVG: 3571600 -14.5174 -32.4703 0.682597 -30.8091 25.6195 61.7989 -1.39341 60.6797 -13.52 TIMING: 3571600 CPU: 11286.2, 0.00315302/step Wall: 11286.2, 0.00315302/step, 1.25105 hours remaining, 236.605469 MB of memory in use. ENERGY: 3571600 4046.2986 20407.3672 14452.7970 258.3458 -203733.4704 2750.9828 0.0000 0.0000 52198.8163 -109618.8627 299.9873 -161817.6790 -109246.8869 298.9732 -71.3963 -39.4142 759754.1423 -0.6570 -0.8060 PRESSURE: 3571800 -80.1409 285.985 -134.761 285.985 194.929 200.127 -134.761 200.127 -273.888 GPRESSURE: 3571800 -53.5963 252.202 -192.175 204.196 212.637 177.03 -8.44657 131.104 -261.155 PRESSAVG: 3571800 -5.5227 -34.334 17.9651 -34.334 9.49214 24.436 17.9651 24.4359 10.715 GPRESSAVG: 3571800 -6.22674 -34.334 16.0836 -34.6454 9.69529 25.2991 19.0063 23.2215 11.5923 TIMING: 3571800 CPU: 11286.9, 0.00314743/step Wall: 11286.9, 0.00314743/step, 1.24866 hours remaining, 236.605469 MB of memory in use. ENERGY: 3571800 3973.4534 20442.4286 14447.4858 234.4676 -203950.0127 2825.5516 0.0000 0.0000 52226.6177 -109800.0080 300.1471 -162026.6257 -109445.9205 299.6027 -53.0333 -34.0384 758966.7952 4.8948 5.0203 PRESSURE: 3572000 -35.3368 -75.7489 118.069 -75.7491 121.216 29.0623 118.07 29.063 -194.294 GPRESSURE: 3572000 14.0058 -42.695 107.624 116.853 89.8787 65.4188 57.0145 -47.8618 -133.442 PRESSAVG: 3572000 2.96529 7.96445 90.9946 7.96448 14.386 61.5969 90.9946 61.5969 -15.3006 GPRESSAVG: 3572000 2.61821 8.68302 93.0112 7.64584 15.4485 61.5472 89.1785 62.8422 -15.3944 TIMING: 3572000 CPU: 11287.5, 0.00313666/step Wall: 11287.5, 0.00313666/step, 1.24421 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: 3572000 4022.0086 20374.0565 14494.1188 257.0339 -203530.7576 2697.1011 0.0000 0.0000 52097.3188 -109589.1198 299.4040 -161686.4386 -109237.4785 299.1354 -36.1383 -9.8525 759577.2318 0.6836 0.8908 PRESSURE: 3572200 -26.6166 -91.3311 59.4515 -91.3322 -75.3967 -66.8335 59.4514 -66.834 179.679 GPRESSURE: 3572200 -61.7106 -24.9068 106.259 -45.0882 -30.6207 -86.8895 96.5382 -89.3802 244.695 PRESSAVG: 3572200 31.2134 -11.1856 40.4708 -11.1855 -6.02961 -79.8812 40.4707 -79.8811 -2.62366 GPRESSAVG: 3572200 31.1901 -10.2554 38.9505 -11.2689 -6.14289 -79.7542 39.2745 -78.3806 -2.72395 TIMING: 3572200 CPU: 11288.1, 0.00315523/step Wall: 11288.1, 0.00315523/step, 1.2514 hours remaining, 236.605469 MB of memory in use. ENERGY: 3572200 3979.5927 20466.1825 14438.4242 232.0560 -203482.4906 2598.0072 0.0000 0.0000 51873.9961 -109894.2318 298.1206 -161768.2280 -109534.9439 299.0601 25.8886 50.7878 758811.1602 7.5200 7.4411 LDB: ============= START OF LOAD BALANCING ============== 11300.7 LDB: ============== END OF LOAD BALANCING =============== 11300.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11300.7 LDB: ============= START OF LOAD BALANCING ============== 11301 LDB: Largest compute 7073 load 0.032537 is 16.6% of average load 0.195560 LDB: Average compute 0.004395 is 2.2% of average load 0.195560 LDB: TIME 11301 LOAD: AVG 0.19556 MAX 0.213157 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.609 MB LDB: TIME 11301 LOAD: AVG 0.19556 MAX 0.213157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.609 MB LDB: TIME 11301 LOAD: AVG 0.19556 MAX 0.213157 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.609 MB LDB: ============== END OF LOAD BALANCING =============== 11301 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11301 PRESSURE: 3572400 109.283 -49.919 -48.997 -49.9183 -237.957 -10.1286 -48.9966 -10.1283 114.468 GPRESSURE: 3572400 106.662 -78.8034 -60.3557 -15.261 -73.1708 52.1581 -95.5099 -75.0512 48.7153 PRESSAVG: 3572400 36.0548 -17.4616 -19.5 -17.4616 -39.1631 -16.785 -19.5001 -16.785 15.053 GPRESSAVG: 3572400 36.2441 -19.8251 -17.9032 -15.5803 -37.9385 -16.7518 -20.2029 -19.3517 14.0953 TIMING: 3572400 CPU: 11288.8, 0.00324192/step Wall: 11288.8, 0.00324192/step, 1.2856 hours remaining, 235.890625 MB of memory in use. ENERGY: 3572400 3954.1486 20509.1949 14467.7305 238.2526 -203494.3463 2582.8543 0.0000 0.0000 51615.6810 -110126.4844 296.6360 -161742.1653 -109768.1389 297.8608 -4.7354 27.4021 759014.4396 3.9816 4.1336 PRESSURE: 3572600 200.605 32.7028 -2.70946 32.7027 122.955 3.54051 -2.70836 3.54082 -343.784 GPRESSURE: 3572600 286.34 -91.3418 20.2104 16.9411 50.1887 71.4477 110.831 13.4618 -263.862 PRESSAVG: 3572600 32.6109 -75.4352 -10.9158 -75.4352 -33.0139 21.7538 -10.9157 21.7538 14.2447 GPRESSAVG: 3572600 33.8547 -76.5194 -10.7264 -75.5849 -34.3451 21.4014 -8.11716 23.4758 14.6192 TIMING: 3572600 CPU: 11289.4, 0.00315719/step Wall: 11289.4, 0.00315719/step, 1.25183 hours remaining, 235.890625 MB of memory in use. ENERGY: 3572600 3921.3293 20481.1709 14483.9381 241.0753 -203526.9338 2393.8894 0.0000 0.0000 51686.3219 -110319.2090 297.0420 -162005.5309 -109962.9473 297.0925 -6.7411 24.2220 760648.0528 4.6139 4.7096 PRESSURE: 3572800 170.8 -139.759 45.2923 -139.758 -21.7241 181.655 45.2923 181.654 137.594 GPRESSURE: 3572800 145.822 -193.108 47.478 -221.05 76.8275 202.946 -82.1385 199.092 161.309 PRESSAVG: 3572800 26.3104 -75.05 39.7591 -75.05 -9.79759 -7.95332 39.7592 -7.95334 7.84849 GPRESSAVG: 3572800 26.4699 -75.5168 38.9626 -76.6621 -10.4531 -7.25574 38.2898 -9.6123 8.34368 TIMING: 3572800 CPU: 11290, 0.00313529/step Wall: 11290, 0.00313529/step, 1.24297 hours remaining, 235.890625 MB of memory in use. ENERGY: 3572800 3894.6213 20362.6984 14506.3861 251.8788 -203693.2165 2726.6954 0.0000 0.0000 52034.3241 -109916.6125 299.0420 -161950.9365 -109563.8580 298.0508 95.5567 127.9860 761012.0582 8.1204 8.1201 PRESSURE: 3573000 91.5734 -6.61026 -14.4095 -6.60939 291.051 -104.956 -14.41 -104.957 273.019 GPRESSURE: 3573000 175.918 100.395 -30.0839 66.2223 298.553 -143.662 -5.24387 21.74 272.699 PRESSAVG: 3573000 15.2138 -19.727 1.68841 -19.727 -16.9666 3.7549 1.68836 3.75485 4.0761 GPRESSAVG: 3573000 14.7147 -19.5767 1.27781 -18.5865 -16.01 3.64025 3.19168 3.82997 3.58338 TIMING: 3573000 CPU: 11290.7, 0.00315003/step Wall: 11290.7, 0.00315003/step, 1.24864 hours remaining, 235.890625 MB of memory in use. ENERGY: 3573000 3953.9664 20470.8543 14490.8961 237.9852 -203403.5377 2618.1582 0.0000 0.0000 51668.7979 -109962.8795 296.9413 -161631.6774 -109615.0950 298.3317 218.5476 249.0566 759976.7004 0.7745 0.7627 PRESSURE: 3573200 -196.779 -175.987 -231.467 -175.986 -227.814 32.8568 -231.467 32.8557 56.2558 GPRESSURE: 3573200 -135.815 -268.319 -114.79 -73.2816 -274.745 62.1315 -370.377 94.2949 104.397 PRESSAVG: 3573200 -11.9908 -31.0536 -39.5738 -31.0537 -5.74031 26.2258 -39.5739 26.2258 13.8738 GPRESSAVG: 3573200 -11.7509 -28.797 -38.935 -31.5141 -6.46535 25.5167 -41.2787 27.8554 13.9567 TIMING: 3573200 CPU: 11291.3, 0.00315763/step Wall: 11291.3, 0.00315763/step, 1.25147 hours remaining, 235.890625 MB of memory in use. ENERGY: 3573200 3929.7879 20403.6705 14490.4341 241.2979 -203596.7175 2337.4391 0.0000 0.0000 52121.5295 -110072.5585 299.5431 -162194.0880 -109702.8860 298.4745 -122.7791 -102.0542 761774.7935 -1.2858 -1.4198 PRESSURE: 3573400 110.947 105.745 63.1842 105.745 -235.994 -62.0759 63.1843 -62.0762 -209.768 GPRESSURE: 3573400 79.3065 150.39 139.936 19.0192 -124.785 -137.706 34.1849 2.93115 -214.399 PRESSAVG: 3573400 19.649 -28.37 7.46338 -28.37 -31.9052 -37.1678 7.4633 -37.1677 12.9191 GPRESSAVG: 3573400 19.5925 -30.8823 8.47245 -28.3732 -32.3261 -38.2007 8.51993 -39.048 13.3216 TIMING: 3573400 CPU: 11291.9, 0.00316426/step Wall: 11291.9, 0.00316426/step, 1.25393 hours remaining, 235.890625 MB of memory in use. ENERGY: 3573400 3991.0026 20433.3670 14522.4606 215.4572 -204083.1839 2917.0873 0.0000 0.0000 52003.0155 -110000.7937 298.8620 -162003.8092 -109653.2346 298.4125 -111.6047 -86.6259 760769.1067 0.2210 0.1960 PRESSURE: 3573600 280.87 37.2224 38.7793 37.2229 -100.383 75.133 38.7786 75.1328 429.8 GPRESSURE: 3573600 313.825 28.537 110.444 -35.5258 -33.5846 122.918 -15.0107 25.3031 415.869 PRESSAVG: 3573600 29.8015 6.77507 9.76769 6.77509 -12.8994 -37.3281 9.76765 -37.3282 -7.37837 GPRESSAVG: 3573600 29.7908 7.47149 11.1423 7.29298 -11.4585 -36.9884 7.32792 -37.6618 -9.05143 TIMING: 3573600 CPU: 11292.6, 0.00316917/step Wall: 11292.6, 0.00316917/step, 1.2557 hours remaining, 235.890625 MB of memory in use. ENERGY: 3573600 4026.7265 20629.0304 14457.1699 238.1449 -203980.5969 2566.8745 0.0000 0.0000 51996.9215 -110065.7291 298.8270 -162062.6506 -109716.6529 298.1679 203.4290 232.0363 759896.2659 3.1746 3.0936 PRESSURE: 3573800 45.8663 51.8791 145.514 51.8786 -46.917 -163.243 145.514 -163.242 -55.2282 GPRESSURE: 3573800 125.26 11.9129 127.286 161.475 31.0667 -76.5465 92.4218 -154.046 -100.45 PRESSAVG: 3573800 8.2631 -34.6514 0.953407 -34.6513 40.5712 -24.3065 0.953427 -24.3064 7.90602 GPRESSAVG: 3573800 7.61453 -35.1053 -0.0721659 -34.9723 41.2981 -23.5652 3.04632 -23.6354 8.24737 TIMING: 3573800 CPU: 11293.2, 0.00314122/step Wall: 11293.2, 0.00314122/step, 1.24444 hours remaining, 235.890625 MB of memory in use. ENERGY: 3573800 3983.1705 20441.5745 14453.4335 260.4199 -203655.2127 2603.6064 0.0000 0.0000 52087.5222 -109825.4857 299.3477 -161913.0079 -109455.8633 298.8347 -18.7596 18.6256 759704.5010 18.9134 19.0533 PRESSURE: 3574000 -190.238 -92.8322 -6.07759 -92.8319 106.603 -74.436 -6.07805 -74.4369 232.631 GPRESSURE: 3574000 -63.5293 7.28223 -6.10996 -161.198 111.077 -100.811 81.7928 -50.3966 194.63 PRESSAVG: 3574000 -13.2783 -36.3235 35.8905 -36.3236 24.7162 -37.8075 35.8905 -37.8075 -0.898904 GPRESSAVG: 3574000 -12.8423 -34.1937 35.3345 -35.3027 22.7985 -37.4079 37.7773 -37.1902 0.891934 TIMING: 3574000 CPU: 11293.8, 0.00314276/step Wall: 11293.8, 0.00314276/step, 1.24488 hours remaining, 235.890625 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: 3574000 4004.4469 20454.8672 14478.7469 243.9363 -203636.1970 2787.4942 0.0000 0.0000 51960.6553 -109706.0502 298.6186 -161666.7055 -109345.0285 298.9696 49.6654 80.7258 760101.3546 3.5130 3.6161 PRESSURE: 3574200 -70.5171 -11.3956 -220.752 -11.3943 -348.925 -65.9148 -220.752 -65.9149 -335.549 GPRESSURE: 3574200 -107.814 -117.726 -171.357 -100.407 -307.497 -45.526 -317.933 -47.5201 -266.251 PRESSAVG: 3574200 -25.9476 -59.2907 7.74344 -59.2907 51.6985 -23.4707 7.74341 -23.4708 -7.46587 GPRESSAVG: 3574200 -25.37 -61.4262 8.45925 -60.3434 52.1311 -24.1267 6.21108 -23.4048 -8.70153 TIMING: 3574200 CPU: 11294.4, 0.00313818/step Wall: 11294.4, 0.00313818/step, 1.24289 hours remaining, 235.890625 MB of memory in use. ENERGY: 3574200 4012.9663 20368.3675 14475.1077 252.1727 -203472.5172 2396.1887 0.0000 0.0000 52085.9216 -109881.7927 299.3385 -161967.7143 -109511.0109 299.1258 -251.6638 -227.1874 760227.0548 6.0950 6.0199 PRESSURE: 3574400 -150.752 213.844 180.494 213.845 221.671 189.141 180.494 189.141 113.403 GPRESSURE: 3574400 6.93605 188.629 33.8044 281.084 189.535 263.421 119.824 73.4073 88.7629 PRESSAVG: 3574400 -32.3628 -5.73736 18.6038 -5.7374 16.4738 -7.076 18.6038 -7.07597 9.28575 GPRESSAVG: 3574400 -33.8469 -5.41435 17.314 -5.89454 18.7193 -7.66014 20.0425 -6.18119 8.63796 TIMING: 3574400 CPU: 11295.1, 0.00313684/step Wall: 11295.1, 0.00313684/step, 1.24219 hours remaining, 235.890625 MB of memory in use. ENERGY: 3574400 3993.5604 20381.7239 14456.2000 247.4820 -203535.3464 2628.3156 0.0000 0.0000 51971.0035 -109857.0609 298.6781 -161828.0644 -109496.2774 298.8200 61.4407 95.0779 759659.8891 -2.2011 -2.1632 PRESSURE: 3574600 -56.9255 204.175 95.2806 204.174 -61.8905 55.0541 95.28 55.0545 -191.065 GPRESSURE: 3574600 -83.0464 113.018 16.244 224.124 -27.0029 -28.3907 104.742 26.0597 -115.952 PRESSAVG: 3574600 -49.4191 -0.423634 53.7213 -0.423622 69.0259 -40.3969 53.7213 -40.3969 5.55487 GPRESSAVG: 3574600 -47.6866 -3.3585 53.2658 0.692681 66.5346 -39.7096 52.3957 -41.2012 6.38383 TIMING: 3574600 CPU: 11295.7, 0.00314058/step Wall: 11295.7, 0.00314058/step, 1.24349 hours remaining, 235.890625 MB of memory in use. ENERGY: 3574600 3943.7015 20625.3111 14545.4850 242.3992 -203598.7279 2337.3645 0.0000 0.0000 51970.4236 -109934.0431 298.6747 -161904.4667 -109573.8683 298.9375 -103.2938 -75.3336 760363.3073 8.3872 8.4106 PRESSURE: 3574800 -244.695 -114.138 18.2795 -114.138 -116.951 -75.8791 18.2794 -75.8801 236.117 GPRESSURE: 3574800 -239.172 -147.765 36.1857 -156.925 4.66154 -64.7308 69.3849 -45.8301 172.732 PRESSAVG: 3574800 -23.5613 -13.0679 36.1039 -13.0679 52.4367 -37.9948 36.1039 -37.9948 -10.2474 GPRESSAVG: 3574800 -24.4583 -11.413 37.6493 -13.539 52.8095 -37.7074 36.5145 -39.4169 -10.1785 TIMING: 3574800 CPU: 11296.3, 0.00313419/step Wall: 11296.3, 0.00313419/step, 1.24079 hours remaining, 235.890625 MB of memory in use. ENERGY: 3574800 3918.0779 20557.9907 14432.7387 270.1907 -203379.9683 2496.0406 0.0000 0.0000 51745.1867 -109959.7430 297.3803 -161704.9297 -109594.8934 298.7782 -41.8428 -20.5926 761812.2092 6.2094 6.0576 PRESSURE: 3575000 -142.186 108.888 116.566 108.888 73.6421 215.373 116.566 215.372 365.807 GPRESSURE: 3575000 -76.7157 138.566 96.9962 74.2501 139.257 163.842 99.4664 114.141 321.816 PRESSAVG: 3575000 -23.1918 -31.7185 24.904 -31.7186 17.4577 -38.3566 24.904 -38.3566 6.15443 GPRESSAVG: 3575000 -24.6478 -29.0697 23.2238 -33.0999 18.2255 -39.4724 24.4053 -37.1895 6.03561 TIMING: 3575000 CPU: 11296.9, 0.00313014/step Wall: 11296.9, 0.00313014/step, 1.23901 hours remaining, 235.890625 MB of memory in use. ENERGY: 3575000 3987.7112 20525.8800 14461.7675 242.4160 -203982.3947 2627.0163 0.0000 0.0000 52180.6240 -109956.9798 299.8828 -162137.6038 -109590.5507 298.3951 99.0877 128.1191 758404.2799 0.1401 -0.1289 PRESSURE: 3575200 -127.343 -75.7154 114.397 -75.7152 -188.602 -29.5972 114.397 -29.5966 277.225 GPRESSURE: 3575200 -116.867 -117.714 99.7775 29.3751 -177.41 -70.4774 138.582 6.4994 341.332 PRESSAVG: 3575200 26.2148 -23.0246 28.6536 -23.0246 21.5867 -15.1782 28.6536 -15.1781 -6.39974 GPRESSAVG: 3575200 26.44 -22.3478 31.4822 -22.5318 20.9483 -14.1194 28.7745 -15.2885 -6.79573 TIMING: 3575200 CPU: 11297.6, 0.00316796/step Wall: 11297.6, 0.00316796/step, 1.25381 hours remaining, 235.890625 MB of memory in use. ENERGY: 3575200 3959.5218 20482.0325 14410.7980 234.3286 -203578.7450 2494.9139 0.0000 0.0000 51947.6662 -110049.4840 298.5440 -161997.1502 -109685.9875 298.5356 -12.9069 15.6852 760014.6092 13.8006 13.5309 PRESSURE: 3575400 -295.727 -8.27685 120.983 -8.27654 -38.8315 -23.4175 120.983 -23.4171 156.148 GPRESSURE: 3575400 -288.078 -131.843 3.52161 57.397 45.3233 -41.8751 106.33 35.8074 150.898 PRESSAVG: 3575400 -51.7032 -17.5303 36.9823 -17.5303 66.4155 -52.199 36.9822 -52.1989 13.7351 GPRESSAVG: 3575400 -51.6067 -20.2748 34.2951 -16.8811 66.6424 -52.4416 36.2968 -49.8047 13.1824 TIMING: 3575400 CPU: 11298.2, 0.00314343/step Wall: 11298.2, 0.00314343/step, 1.24392 hours remaining, 235.890625 MB of memory in use. ENERGY: 3575400 3900.4991 20655.5197 14429.8553 235.7837 -203175.0636 2320.2552 0.0000 0.0000 51817.6990 -109815.4516 297.7970 -161633.1506 -109455.1107 298.3927 -59.4700 -30.6188 761397.9683 9.4825 9.4060 PRESSURE: 3575600 -316.972 -129.43 130.395 -129.431 176.343 -94.988 130.395 -94.9892 412.324 GPRESSURE: 3575600 -242.577 20.3188 150.856 -167.28 148.708 -91.699 140.408 7.38582 462.316 PRESSAVG: 3575600 -12.9099 0.951836 58.0461 0.951769 15.8311 -70.444 58.0462 -70.444 -5.81059 GPRESSAVG: 3575600 -12.5158 1.23357 59.0097 1.2224 14.7244 -69.787 58.8758 -71.628 -5.37142 TIMING: 3575600 CPU: 11298.8, 0.00313641/step Wall: 11298.8, 0.00313641/step, 1.24097 hours remaining, 235.890625 MB of memory in use. ENERGY: 3575600 3936.5962 20440.8499 14462.3696 240.2492 -204012.1577 2886.9334 0.0000 0.0000 52116.5837 -109928.5759 299.5147 -162045.1595 -109568.6870 298.9004 90.5654 122.8158 760332.9350 -0.9631 -1.0543 PRESSURE: 3575800 -177.673 10.832 -73.5051 10.8323 411.451 -99.1149 -73.5046 -99.1133 96.1363 GPRESSURE: 3575800 -117.853 -17.7782 -133.524 56.4981 413.924 -161.461 86.0016 -32.1393 124.735 PRESSAVG: 3575800 -34.5656 -6.64161 0.619068 -6.64152 26.7059 -47.4223 0.619056 -47.4224 -1.35029 GPRESSAVG: 3575800 -36.1485 -4.58534 0.952125 -7.703 28.2619 -49.1078 0.35528 -48.752 -0.937354 TIMING: 3575800 CPU: 11299.5, 0.00313995/step Wall: 11299.5, 0.00313995/step, 1.2422 hours remaining, 235.890625 MB of memory in use. ENERGY: 3575800 3989.6755 20430.0186 14428.5912 223.4787 -203535.6988 2765.1406 0.0000 0.0000 51809.8410 -109888.9532 297.7519 -161698.7942 -109525.8906 298.9033 109.9715 140.2687 761543.1407 -3.0700 -2.9413 PRESSURE: 3576000 188.789 -205.012 23.0482 -205.012 403.966 -309.128 23.0486 -309.127 271.853 GPRESSURE: 3576000 244.06 -293.247 -11.8169 -113.966 388.693 -274.095 -65.2786 -342.965 314.995 PRESSAVG: 3576000 -21.5327 15.0453 3.4597 15.0452 5.23183 -75.1417 3.45969 -75.1417 16.0143 GPRESSAVG: 3576000 -19.5996 13.9795 3.76298 14.5025 4.79492 -72.7125 4.41256 -76.4236 14.752 TIMING: 3576000 CPU: 11300.1, 0.00314946/step Wall: 11300.1, 0.00314946/step, 1.24579 hours remaining, 235.890625 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: 3576000 3917.7682 20465.2170 14304.8937 248.4342 -203503.0689 2719.3057 0.0000 0.0000 51982.0966 -109865.3535 298.7418 -161847.4501 -109507.7833 298.4226 288.2026 315.9159 759590.7467 -0.0955 -0.0176 PRESSURE: 3576200 -255.54 41.4108 138.983 41.4108 -350.769 -387.723 138.983 -387.723 -82.0583 GPRESSURE: 3576200 -297.029 107.546 144.108 94.7855 -330.567 -390.839 17.0158 -280.964 20.6341 PRESSAVG: 3576200 -28.9744 6.75266 -12.0418 6.75273 -18.1766 -25.1823 -12.0419 -25.1823 -6.11084 GPRESSAVG: 3576200 -30.0296 9.23988 -11.5223 5.03775 -19.238 -27.3469 -14.4601 -21.9193 -4.82022 TIMING: 3576200 CPU: 11300.7, 0.0031519/step Wall: 11300.7, 0.0031519/step, 1.24658 hours remaining, 235.890625 MB of memory in use. ENERGY: 3576200 3925.8973 20508.5143 14429.8273 240.2213 -203142.5753 2174.1466 0.0000 0.0000 52137.6759 -109726.2926 299.6359 -161863.9685 -109359.1087 298.7214 -229.4559 -202.3206 761915.5333 -17.7540 -18.0293 LDB: ============= START OF LOAD BALANCING ============== 11313.3 LDB: ============== END OF LOAD BALANCING =============== 11313.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11313.3 LDB: ============= START OF LOAD BALANCING ============== 11313.6 LDB: Largest compute 7073 load 0.032816 is 16.8% of average load 0.195569 LDB: Average compute 0.004380 is 2.2% of average load 0.195569 LDB: TIME 11313.6 LOAD: AVG 0.195569 MAX 0.212341 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.719 MB LDB: TIME 11313.6 LOAD: AVG 0.195569 MAX 0.212341 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.789 MB LDB: TIME 11313.6 LOAD: AVG 0.195569 MAX 0.212341 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.789 MB LDB: ============== END OF LOAD BALANCING =============== 11313.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11313.6 PRESSURE: 3576400 -153.005 -143.189 121.315 -143.189 108.298 1.59535 121.315 1.59514 270.19 GPRESSURE: 3576400 -131.739 -121.54 91.4467 -77.7907 179.152 4.88518 167.586 -59.198 264.399 PRESSAVG: 3576400 -64.9827 -29.3474 -2.77886 -29.3474 70.3562 -52.8829 -2.77891 -52.8829 -1.56975 GPRESSAVG: 3576400 -64.8016 -29.1741 -5.88809 -28.5922 70.172 -50.7536 -2.30343 -56.1367 -2.65174 TIMING: 3576400 CPU: 11301.4, 0.00321033/step Wall: 11301.4, 0.00321033/step, 1.26951 hours remaining, 235.359375 MB of memory in use. ENERGY: 3576400 3943.5019 20565.0789 14431.9902 250.5164 -203408.9244 2620.6466 0.0000 0.0000 52081.1928 -109515.9975 299.3113 -161597.1903 -109155.1069 298.8982 75.1608 103.9375 760663.6364 1.2679 0.9062 PRESSURE: 3576600 -512.443 -138.492 114.547 -138.492 -188.748 -8.97506 114.546 -8.97554 -249.992 GPRESSURE: 3576600 -363.58 -145.473 141.121 -140.052 -223.587 -14.2168 81.381 -31.3921 -293.435 PRESSAVG: 3576600 -8.96058 -10.1828 38.4411 -10.1827 10.3536 -3.07106 38.4411 -3.07096 20.436 GPRESSAVG: 3576600 -9.66638 -13.7728 39.2921 -8.23095 11.0298 -3.95275 39.1288 -3.27317 20.5709 TIMING: 3576600 CPU: 11302, 0.00317381/step Wall: 11302, 0.00317381/step, 1.25489 hours remaining, 235.562500 MB of memory in use. ENERGY: 3576600 4008.0023 20584.7824 14400.1186 250.7154 -203107.3187 2343.5567 0.0000 0.0000 52041.8254 -109478.3180 299.0851 -161520.1434 -109117.2522 299.2830 -317.0612 -293.5341 760965.6151 7.2763 7.3114 PRESSURE: 3576800 -3.16545 53.905 170.919 53.9055 435.759 -109.189 170.919 -109.189 359.558 GPRESSURE: 3576800 176.882 64.0314 140.19 46.7532 344.532 -139.245 328.116 -52.6078 345.517 PRESSAVG: 3576800 -45.8317 -10.2158 1.25384 -10.2157 10.5626 -5.58036 1.25378 -5.58041 -14.6344 GPRESSAVG: 3576800 -44.3342 -8.61775 0.992611 -9.26532 8.23073 -5.82912 2.87195 -4.18722 -14.4269 TIMING: 3576800 CPU: 11302.6, 0.00316426/step Wall: 11302.6, 0.00316426/step, 1.25094 hours remaining, 235.562500 MB of memory in use. ENERGY: 3576800 3936.3624 20512.4977 14438.3598 236.0362 -203649.4564 2939.2660 0.0000 0.0000 51980.7364 -109606.1978 298.7340 -161586.9342 -109254.8066 298.7270 264.0502 288.9770 761771.5377 -16.6345 -16.8434 PRESSURE: 3577000 61.8504 -87.8894 -71.2188 -87.8882 -259.62 50.3716 -71.2186 50.3712 20.1744 GPRESSURE: 3577000 0.536517 -49.9954 -121.864 -113.933 -162.008 -3.50948 2.49323 -19.4617 76.9681 PRESSAVG: 3577000 39.5741 -40.2293 55.8033 -40.2293 -50.1805 11.4201 55.8034 11.4199 -5.31034 GPRESSAVG: 3577000 37.6994 -41.3803 56.7347 -41.207 -49.3375 10.0633 52.2071 13.4087 -5.00661 TIMING: 3577000 CPU: 11303.3, 0.00315494/step Wall: 11303.3, 0.00315494/step, 1.24708 hours remaining, 235.562500 MB of memory in use. ENERGY: 3577000 4027.1389 20626.7250 14342.3378 247.4046 -203272.2618 2517.3556 0.0000 0.0000 52299.1240 -109212.1759 300.5638 -161511.2999 -108857.7010 299.1703 -59.1985 -28.1677 763771.6363 -5.3056 -5.5482 PRESSURE: 3577200 27.253 -161.019 -100.259 -161.019 70.9054 73.7007 -100.259 73.6997 402.406 GPRESSURE: 3577200 -40.779 -107.127 -141.823 -129.45 184.628 77.7903 -38.6606 35.391 427.19 PRESSAVG: 3577200 -42.5478 -19.2362 36.2448 -19.2362 40.0083 -24.8746 36.2448 -24.8746 -11.1486 GPRESSAVG: 3577200 -42.7483 -19.7442 37.173 -18.193 40.3222 -24.6467 35.9152 -27.9406 -11.5456 TIMING: 3577200 CPU: 11303.9, 0.00317246/step Wall: 11303.9, 0.00317246/step, 1.25383 hours remaining, 235.562500 MB of memory in use. ENERGY: 3577200 3916.6373 20438.8621 14329.4544 236.3943 -202952.4830 2621.6566 0.0000 0.0000 52242.8604 -109166.6178 300.2404 -161409.4782 -108795.3094 299.7114 166.8549 190.3465 762563.3552 -4.5627 -4.6572 PRESSURE: 3577400 148.686 21.4114 -63.2261 21.4119 -182.327 127.074 -63.226 127.074 179.506 GPRESSURE: 3577400 184.522 77.7361 -102.066 127.085 -83.0382 56.2363 -145.182 195.431 132.769 PRESSAVG: 3577400 -43.0921 -54.1879 -6.41866 -54.1879 78.0333 5.67328 -6.41867 5.67333 6.25959 GPRESSAVG: 3577400 -43.9867 -52.1332 -8.6135 -56.3521 77.9084 7.02756 -5.04361 8.54825 6.8589 TIMING: 3577400 CPU: 11304.5, 0.00315373/step Wall: 11304.5, 0.00315373/step, 1.24625 hours remaining, 235.562500 MB of memory in use. ENERGY: 3577400 4014.8250 20524.1803 14359.9346 263.8373 -202823.9492 2512.7047 0.0000 0.0000 51750.8841 -109397.5833 297.4130 -161148.4674 -109032.4048 299.2804 48.6215 78.0844 760925.0691 13.7336 13.5935 PRESSURE: 3577600 31.7396 -86.0057 257.99 -86.0051 -211.234 -142.976 257.99 -142.977 -315.11 GPRESSURE: 3577600 122.823 -52.982 237.014 -98.9918 -169.439 -148.865 84.8351 -161.545 -351.443 PRESSAVG: 3577600 3.84399 -2.87485 3.01611 -2.87484 28.6904 11.8919 3.01617 11.8919 -5.82817 GPRESSAVG: 3577600 4.7395 -3.69502 3.10676 -1.3694 28.1558 13.0157 2.59207 10.2131 -6.31706 TIMING: 3577600 CPU: 11305.2, 0.00315635/step Wall: 11305.2, 0.00315635/step, 1.24711 hours remaining, 235.562500 MB of memory in use. ENERGY: 3577600 4041.4262 20326.9691 14379.1277 250.0888 -202900.2662 2531.3245 0.0000 0.0000 51887.2343 -109484.0954 298.1966 -161371.3298 -109123.3281 299.0175 -164.8679 -132.6864 762744.9899 8.9021 8.8594 PRESSURE: 3577800 -18.3746 -215.251 -268.168 -215.251 -119.086 -186.71 -268.167 -186.71 -233.279 GPRESSURE: 3577800 -33.3205 -167.165 -252.921 -251.214 -54.2598 -82.8702 -124.774 -169.623 -200.245 PRESSAVG: 3577800 13.2773 -23.0707 -23.141 -23.0706 -20.31 -49.9306 -23.141 -49.9306 28.0184 GPRESSAVG: 3577800 14.6136 -23.247 -21.9072 -22.9142 -20.4668 -51.3383 -22.5833 -49.9182 27.0351 TIMING: 3577800 CPU: 11305.8, 0.00314568/step Wall: 11305.8, 0.00314568/step, 1.24272 hours remaining, 235.562500 MB of memory in use. ENERGY: 3577800 3965.7515 20476.9445 14401.3592 257.2177 -203037.1916 2460.3231 0.0000 0.0000 51975.8081 -109499.7876 298.7057 -161475.5957 -109146.1282 299.1490 -123.5796 -95.9419 764256.0457 6.9952 7.0606 PRESSURE: 3578000 -64.8492 67.8194 117.523 67.8192 149.347 184.893 117.523 184.892 -142.707 GPRESSURE: 3578000 -60.4278 26.8519 67.3495 109.195 230.188 174.7 195.389 157.747 -125.293 PRESSAVG: 3578000 24.7468 -21.6387 -10.8858 -21.6387 -74.0026 40.5665 -10.8859 40.5665 5.5059 GPRESSAVG: 3578000 23.2565 -23.3058 -11.0371 -23.2222 -73.5781 39.9091 -11.5621 41.3831 6.79708 TIMING: 3578000 CPU: 11306.4, 0.00314595/step Wall: 11306.4, 0.00314595/step, 1.24265 hours remaining, 235.562500 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: 3578000 3958.5981 20588.5417 14396.5553 250.5502 -203238.5032 2477.9278 0.0000 0.0000 52145.8340 -109420.4962 299.6828 -161566.3302 -109058.2655 299.0099 -19.4028 14.8224 762333.9798 -14.5833 -14.5082 PRESSURE: 3578200 -16.4358 -145.949 122.307 -145.949 -105.402 -149.461 122.306 -149.462 -42.0599 GPRESSURE: 3578200 41.1514 -212.885 173.235 -101.411 -129.373 -158.701 78.682 -134.627 6.32802 PRESSAVG: 3578200 35.0208 -29.938 15.9322 -29.938 -16.2245 31.6738 15.9323 31.6737 -28.121 GPRESSAVG: 3578200 35.8475 -28.153 14.8436 -32.1129 -17.3095 32.7971 18.682 31.026 -28.5129 TIMING: 3578200 CPU: 11307.1, 0.00316061/step Wall: 11307.1, 0.00316061/step, 1.24827 hours remaining, 235.562500 MB of memory in use. ENERGY: 3578200 3937.1171 20354.0406 14470.1331 240.5752 -202800.4042 2069.2162 0.0000 0.0000 52149.2521 -109580.0697 299.7025 -161729.3218 -109208.1750 299.4730 -54.6325 -27.2977 762172.7062 -3.1082 -3.3250 PRESSURE: 3578400 193.916 43.848 168.608 43.8478 -355.105 -133.839 168.608 -133.839 -372.125 GPRESSURE: 3578400 200.053 77.689 185.499 101.7 -294.004 -136.982 123.633 -64.3895 -333.302 PRESSAVG: 3578400 -1.10687 7.02366 -8.93222 7.02374 -27.6198 -34.1666 -8.93216 -34.1665 -13.4535 GPRESSAVG: 3578400 -1.97578 3.87555 -8.27784 10.408 -26.6966 -33.6368 -10.5487 -36.64 -14.3352 TIMING: 3578400 CPU: 11307.7, 0.0031471/step Wall: 11307.7, 0.0031471/step, 1.24276 hours remaining, 235.562500 MB of memory in use. ENERGY: 3578400 4022.6016 20361.4211 14453.0473 269.0887 -202997.9088 2341.9529 0.0000 0.0000 52058.6502 -109491.1469 299.1818 -161549.7970 -109134.9571 298.9721 -177.7717 -142.4176 761842.3879 -14.0600 -14.3359 PRESSURE: 3578600 -126.666 -80.6475 -15.4608 -80.6473 57.0354 -56.4632 -15.4609 -56.463 -123.511 GPRESSURE: 3578600 7.48828 -133.111 15.9698 -58.5965 25.222 -97.7504 -106.754 124.388 -118.552 PRESSAVG: 3578600 -16.1528 -18.8395 -3.80323 -18.8395 -8.41432 -81.042 -3.8032 -81.042 15.2406 GPRESSAVG: 3578600 -14.9819 -16.6786 -3.83517 -20.1346 -9.05776 -82.1691 -2.98207 -78.0992 15.1554 TIMING: 3578600 CPU: 11308.3, 0.00314383/step Wall: 11308.3, 0.00314383/step, 1.24129 hours remaining, 235.562500 MB of memory in use. ENERGY: 3578600 3995.1038 20560.2065 14494.6347 257.0863 -203603.9263 2715.0225 0.0000 0.0000 52190.0144 -109391.8581 299.9367 -161581.8725 -109031.7127 299.7218 -64.3804 -28.6137 761334.1506 -3.1088 -2.9614 PRESSURE: 3578800 -484.937 98.127 -155.029 98.1267 -307.865 -88.5897 -155.03 -88.5898 -374.438 GPRESSURE: 3578800 -468.053 69.7666 -9.33794 66.0928 -260.456 -118.869 -205.933 -31.6307 -358.029 PRESSAVG: 3578800 18.8798 10.9172 23.7471 10.9172 -14.5939 -42.1453 23.747 -42.1453 13.5166 GPRESSAVG: 3578800 18.6635 11.0049 23.8623 8.99149 -14.7039 -41.4399 22.8187 -43.3768 13.3747 TIMING: 3578800 CPU: 11308.9, 0.00314099/step Wall: 11308.9, 0.00314099/step, 1.23999 hours remaining, 235.562500 MB of memory in use. ENERGY: 3578800 3979.7364 20622.0917 14456.0299 241.8845 -203037.6884 2321.8314 0.0000 0.0000 52190.8094 -109225.3052 299.9413 -161416.1146 -108872.8448 299.4443 -389.0802 -362.1795 762381.1482 5.9342 5.7781 PRESSURE: 3579000 155.927 3.23513 -13.2061 3.2348 -117.55 -28.4504 -13.2064 -28.4514 -70.4099 GPRESSURE: 3579000 205.716 39.2843 -0.39555 -23.5462 -63.1 -13.1984 -5.72881 -35.4327 -83.9357 PRESSAVG: 3579000 -10.7726 -12.9126 -8.22303 -12.9126 -10.2762 50.8148 -8.22314 50.8148 -3.55592 GPRESSAVG: 3579000 -11.6155 -14.5634 -8.84192 -9.87474 -9.90756 50.4209 -6.84015 51.9901 -2.62046 TIMING: 3579000 CPU: 11309.6, 0.00313416/step Wall: 11309.6, 0.00313416/step, 1.23712 hours remaining, 235.562500 MB of memory in use. ENERGY: 3579000 3950.8494 20598.6264 14437.6641 250.9964 -202555.3635 2126.6019 0.0000 0.0000 52153.1776 -109037.4477 299.7250 -161190.6253 -108683.5629 299.6794 -10.6777 19.5600 761690.7326 -8.2016 -8.0478 PRESSURE: 3579200 62.4778 48.8053 -51.6811 48.8058 27.7592 17.5935 -51.6805 17.5928 -154.455 GPRESSURE: 3579200 100.19 -51.9725 -60.9227 156.478 48.1041 42.3276 -47.4276 -0.0814776 -132.456 PRESSAVG: 3579200 -51.4079 -23.2325 12.5093 -23.2325 16.4366 5.86456 12.5094 5.86457 10.4878 GPRESSAVG: 3579200 -50.5474 -23.646 13.3398 -23.1613 16.5816 7.54166 13.3733 3.24613 9.7212 TIMING: 3579200 CPU: 11310.2, 0.00313004/step Wall: 11310.2, 0.00313004/step, 1.23532 hours remaining, 235.562500 MB of memory in use. ENERGY: 3579200 4067.6906 20565.5811 14467.1141 254.0562 -203494.4663 2667.3929 0.0000 0.0000 52218.1147 -109254.5166 300.0982 -161472.6314 -108897.6034 299.5638 -21.4060 5.2792 761388.0606 -8.1612 -8.0815 PRESSURE: 3579400 -15.6943 45.4162 -181.114 45.4154 160.268 -18.4893 -181.113 -18.4897 -149.46 GPRESSURE: 3579400 -23.5302 42.8024 -216.787 11.4749 146.768 11.2462 -189.951 -138.855 -35.3972 PRESSAVG: 3579400 14.0522 -44.4495 -10.4224 -44.4494 21.0836 20.8381 -10.4224 20.8381 5.21739 GPRESSAVG: 3579400 13.0178 -41.1767 -10.4719 -46.9368 20.584 21.4325 -12.6245 21.6177 6.09923 TIMING: 3579400 CPU: 11310.8, 0.00315175/step Wall: 11310.8, 0.00315175/step, 1.24372 hours remaining, 235.562500 MB of memory in use. ENERGY: 3579400 4020.7201 20599.9094 14430.6787 240.8152 -203200.4292 2531.0629 0.0000 0.0000 52203.8656 -109173.3773 300.0163 -161377.2429 -108814.6121 299.8349 -1.6286 29.2801 760629.1755 13.4511 13.2337 PRESSURE: 3579600 374.743 -157.267 387.07 -157.266 249.041 70.4003 387.07 70.4005 81.2905 GPRESSURE: 3579600 284.935 -177.129 266.32 -124.365 362.938 4.35201 352.008 77.4073 141.453 PRESSAVG: 3579600 -5.80168 -22.9881 13.1075 -22.988 52.7739 -48.8043 13.1075 -48.8043 1.31429 GPRESSAVG: 3579600 -5.28047 -24.726 13.3406 -22.0211 53.5097 -49.9921 13.7223 -46.9609 -0.164476 TIMING: 3579600 CPU: 11311.4, 0.00313361/step Wall: 11311.4, 0.00313361/step, 1.23638 hours remaining, 235.562500 MB of memory in use. ENERGY: 3579600 4024.8182 20740.3554 14411.3401 241.2480 -203146.4858 2334.4794 0.0000 0.0000 52048.1184 -109346.1263 299.1213 -161394.2447 -108996.7603 300.1227 235.0245 263.1088 759180.3157 16.0955 16.0216 PRESSURE: 3579800 -163.135 -147.89 -70.1921 -147.89 -199.952 134.881 -70.1922 134.881 110.723 GPRESSURE: 3579800 -89.2918 -38.9239 -83.2773 -264.153 -161.884 105.094 33.1888 153.055 83.9364 PRESSAVG: 3579800 9.151 -22.6702 29.3422 -22.6702 -7.71078 11.6679 29.3423 11.6678 -15.4067 GPRESSAVG: 3579800 8.17635 -22.2457 28.2487 -22.9325 -8.08679 10.1424 29.3789 10.8396 -14.5209 TIMING: 3579800 CPU: 11312.1, 0.00313991/step Wall: 11312.1, 0.00313991/step, 1.23869 hours remaining, 235.562500 MB of memory in use. ENERGY: 3579800 3936.9229 20400.5325 14463.7902 243.6929 -202865.1719 2173.2892 0.0000 0.0000 52114.4065 -109532.5377 299.5022 -161646.9442 -109161.4024 299.0150 -84.1214 -55.7465 761065.8402 -4.6555 -4.8105 PRESSURE: 3580000 -191.761 -178.489 54.7362 -178.488 184.805 -153.947 54.7368 -153.946 -89.3144 GPRESSURE: 3580000 -163.724 -152.931 124.255 -250.515 132.948 -144.119 -32.3174 -189.899 45.082 PRESSAVG: 3580000 6.21945 -14.8225 -17.2776 -14.8225 5.38693 3.58453 -17.2776 3.58455 12.1604 GPRESSAVG: 3580000 5.99123 -13.8376 -17.2376 -14.8551 5.84059 4.04276 -16.0725 4.82721 12.4271 TIMING: 3580000 CPU: 11312.7, 0.00315278/step Wall: 11312.7, 0.00315278/step, 1.2436 hours remaining, 235.562500 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: 3580000 3990.0296 20637.7533 14453.8203 241.5784 -203057.3658 2438.2746 0.0000 0.0000 52006.9657 -109288.9440 298.8847 -161295.9096 -108937.0660 299.0444 -32.0902 4.7687 762067.0742 7.9223 8.0863 PRESSURE: 3580200 -191.488 -21.4019 31.6182 -21.4013 -40.0615 138.823 31.618 138.823 231.343 GPRESSURE: 3580200 -152.537 33.134 108.624 -59.5003 -28.7066 79.3615 -12.1763 46.3338 265.634 PRESSAVG: 3580200 46.6887 -11.5987 -12.7699 -11.5987 -26.9192 23.4802 -12.7699 23.4801 8.49879 GPRESSAVG: 3580200 47.0159 -14.0298 -11.3866 -12.5673 -27.1358 23.4026 -14.9304 21.5297 7.55815 TIMING: 3580200 CPU: 11313.3, 0.00313955/step Wall: 11313.3, 0.00313955/step, 1.2382 hours remaining, 235.562500 MB of memory in use. ENERGY: 3580200 3994.9195 20573.9956 14450.0757 253.8819 -203116.0763 2573.3765 0.0000 0.0000 52190.1355 -109079.6916 299.9374 -161269.8271 -108721.8710 299.2887 -0.0688 28.1299 762078.8689 9.4228 9.1461 LDB: ============= START OF LOAD BALANCING ============== 11325.9 LDB: ============== END OF LOAD BALANCING =============== 11325.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11325.9 LDB: ============= START OF LOAD BALANCING ============== 11326.2 LDB: Largest compute 7073 load 0.031992 is 16.4% of average load 0.195547 LDB: Average compute 0.004388 is 2.2% of average load 0.195547 LDB: TIME 11326.2 LOAD: AVG 0.195547 MAX 0.215386 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.426 MB LDB: TIME 11326.2 LOAD: AVG 0.195547 MAX 0.215386 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: TIME 11326.2 LOAD: AVG 0.195547 MAX 0.215386 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: ============== END OF LOAD BALANCING =============== 11326.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11326.2 PRESSURE: 3580400 88.4935 -96.2613 107.011 -96.2625 106.898 96.8032 107.011 96.803 -255.245 GPRESSURE: 3580400 159.935 -149.742 30.9007 -44.9628 88.0968 109.95 194.568 69.1718 -245.638 PRESSAVG: 3580400 -0.967338 -48.0124 -23.4777 -48.0125 18.8911 18.6888 -23.4777 18.6887 -2.06123 GPRESSAVG: 3580400 -0.707442 -47.498 -23.1112 -46.2608 18.9317 17.6462 -23.4322 20.0615 -2.55151 TIMING: 3580400 CPU: 11314, 0.0032111/step Wall: 11314, 0.0032111/step, 1.26624 hours remaining, 235.449219 MB of memory in use. ENERGY: 3580400 4014.1538 20495.9741 14427.3502 239.8274 -202778.2396 2275.2394 0.0000 0.0000 52332.2022 -108993.4927 300.7539 -161325.6948 -108637.2628 300.2026 -19.9511 0.7980 761293.2592 5.2875 5.2243 PRESSURE: 3580600 -186.692 -9.27482 41.8941 -9.27453 -32.3115 -35.169 41.894 -35.1704 121.622 GPRESSURE: 3580600 -209.948 -12.0636 -114.881 39.684 58.6743 -74.1608 87.4436 -16.4986 147.507 PRESSAVG: 3580600 -5.75144 -2.16389 31.8468 -2.16392 -2.76015 26.5414 31.8468 26.5414 12.8646 GPRESSAVG: 3580600 -7.16642 -0.564546 29.7725 -3.8832 -2.61731 27.3804 32.5479 26.2311 14.369 TIMING: 3580600 CPU: 11314.6, 0.00312979/step Wall: 11314.6, 0.00312979/step, 1.23401 hours remaining, 235.910156 MB of memory in use. ENERGY: 3580600 4010.7069 20617.7926 14469.0356 239.3783 -203325.5665 2466.7112 0.0000 0.0000 52388.7302 -109133.2118 301.0788 -161521.9420 -108761.4361 299.8852 -32.4604 -1.2555 759946.0925 1.4510 1.5284 PRESSURE: 3580800 -39.2715 -49.262 -124.269 -49.262 25.3706 88.4964 -124.269 88.496 321.092 GPRESSURE: 3580800 -16.6096 -126.069 -58.6381 -130.2 55.9124 154.632 -24.7496 -5.28105 373.997 PRESSAVG: 3580800 -50.21 3.12091 66.2593 3.12089 42.674 -26.5245 66.2593 -26.5245 26.5069 GPRESSAVG: 3580800 -48.2526 1.93067 68.8289 3.38349 41.5062 -27.0854 65.6211 -26.2514 25.5086 TIMING: 3580800 CPU: 11315.2, 0.00313801/step Wall: 11315.2, 0.00313801/step, 1.23707 hours remaining, 235.910156 MB of memory in use. ENERGY: 3580800 3974.7654 20491.0986 14458.8129 248.6042 -203488.6552 2723.9546 0.0000 0.0000 52367.5472 -109223.8723 300.9570 -161591.4195 -108856.4195 300.4261 102.3970 137.7665 761385.9745 6.3236 6.2540 PRESSURE: 3581000 -148.265 -16.3295 -26.7898 -16.3301 136.362 -166.627 -26.7903 -166.628 -60.5455 GPRESSURE: 3581000 17.7204 -152.543 -31.0704 -60.1408 -11.938 -143.688 44.259 -90.4627 25.3859 PRESSAVG: 3581000 -23.2119 -37.3487 -13.5835 -37.3487 35.7184 30.1657 -13.5835 30.1657 9.05953 GPRESSAVG: 3581000 -24.0426 -38.1721 -15.4769 -34.3723 35.5099 28.7951 -11.9666 31.06 9.49719 TIMING: 3581000 CPU: 11315.9, 0.00313877/step Wall: 11315.9, 0.00313877/step, 1.2372 hours remaining, 235.925781 MB of memory in use. ENERGY: 3581000 4075.5057 20680.6114 14458.4938 230.7999 -203645.2571 2707.0914 0.0000 0.0000 52319.7182 -109173.0367 300.6821 -161492.7549 -108810.7124 300.4708 -24.1496 10.3894 762110.4575 7.1887 6.9882 PRESSURE: 3581200 -274.879 183.799 -4.15503 183.799 -69.5324 148.998 -4.15437 148.997 -316.173 GPRESSURE: 3581200 -285.866 167.966 -121.597 109.897 -12.6407 76.7268 28.2698 45.3268 -272.214 PRESSAVG: 3581200 -36.5451 -39.4249 -8.85965 -39.4249 45.1246 35.2628 -8.85961 35.2627 5.52746 GPRESSAVG: 3581200 -36.6825 -36.7782 -9.04988 -42.5148 46.0075 36.1444 -10.0531 34.3362 4.98653 TIMING: 3581200 CPU: 11316.5, 0.00312773/step Wall: 11316.5, 0.00312773/step, 1.23267 hours remaining, 235.925781 MB of memory in use. ENERGY: 3581200 4018.4207 20790.5354 14409.8781 265.1057 -203640.5898 2713.7308 0.0000 0.0000 52231.4315 -109211.4875 300.1748 -161442.9191 -108848.8808 300.2684 -220.1947 -190.2402 762395.6865 4.7023 4.7705 PRESSURE: 3581400 66.8737 -97.5083 300.262 -97.5076 -222.19 65.4619 300.262 65.4608 307.895 GPRESSURE: 3581400 106.013 -140.856 258.572 -160.852 -122.139 139.824 284.309 -47.9427 256.772 PRESSAVG: 3581400 -27.7063 0.662051 -31.8392 0.66205 0.0425143 9.04883 -31.8393 9.04878 9.31964 GPRESSAVG: 3581400 -27.8323 -1.76942 -29.7259 3.60898 -0.526211 11.5837 -31.8677 6.50902 9.68635 TIMING: 3581400 CPU: 11317.1, 0.00314035/step Wall: 11317.1, 0.00314035/step, 1.23747 hours remaining, 235.925781 MB of memory in use. ENERGY: 3581400 3964.1826 20789.2189 14490.9378 270.1925 -203713.4101 2792.7625 0.0000 0.0000 52365.5314 -109040.5844 300.9454 -161406.1158 -108684.7277 299.9861 50.8597 80.2156 761301.9333 -6.1147 -6.2240 PRESSURE: 3581600 -46.8595 34.6604 118.605 34.6606 37.5284 -8.81916 118.605 -8.8187 83.589 GPRESSURE: 3581600 37.7073 -7.88569 53.8241 -6.47759 43.0221 -86.283 77.294 -127.308 74.5163 PRESSAVG: 3581600 -17.4341 -3.96309 -20.554 -3.9631 57.2272 16.0693 -20.554 16.0694 26.2717 GPRESSAVG: 3581600 -15.9987 -4.15114 -21.4457 -6.14862 56.8083 14.1769 -21.665 19.0887 25.0638 TIMING: 3581600 CPU: 11317.7, 0.00312922/step Wall: 11317.7, 0.00312922/step, 1.23291 hours remaining, 235.925781 MB of memory in use. ENERGY: 3581600 4059.3723 20536.1121 14437.7537 230.5711 -203532.7535 2780.5403 0.0000 0.0000 52284.6191 -109203.7849 300.4804 -161488.4040 -108845.7273 299.9470 24.7526 51.7486 761968.4144 22.0216 21.9578 PRESSURE: 3581800 -169.118 161.885 -189.718 161.885 199.342 -120.11 -189.718 -120.111 -192.537 GPRESSURE: 3581800 -173.899 5.92671 -249.31 166.951 275.089 -19.96 -37.7332 -181.223 -177.894 PRESSAVG: 3581800 -60.7737 -15.9444 -3.50423 -15.9443 28.4078 -17.3265 -3.50424 -17.3264 28.3018 GPRESSAVG: 3581800 -61.7289 -16.3657 -3.27859 -14.1521 29.4645 -17.5391 -2.36956 -18.6518 28.2864 TIMING: 3581800 CPU: 11318.4, 0.0031239/step Wall: 11318.4, 0.0031239/step, 1.23064 hours remaining, 235.925781 MB of memory in use. ENERGY: 3581800 3984.0067 20711.8071 14500.9277 265.5714 -203261.4479 2567.9654 0.0000 0.0000 52114.3889 -109116.7808 299.5021 -161231.1697 -108768.0218 300.0582 -54.1043 -25.5679 760186.1984 -1.3547 -1.3260 PRESSURE: 3582000 141.454 -208.191 308.104 -208.192 -213.19 -78.8064 308.104 -78.8061 -334.074 GPRESSURE: 3582000 206.9 -115.582 352.663 -139.961 -133.639 -143.981 145.736 -34.2091 -396.801 PRESSAVG: 3582000 -1.65621 -75.6303 58.7451 -75.6303 -16.8653 40.1685 58.745 40.1685 13.0047 GPRESSAVG: 3582000 -1.919 -74.9049 58.0545 -76.3257 -16.9592 38.7976 59.3109 40.6663 13.2747 TIMING: 3582000 CPU: 11319, 0.00316015/step Wall: 11319, 0.00316015/step, 1.24475 hours remaining, 235.925781 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: 3582000 4079.5162 20489.4924 14413.1180 254.1416 -203609.9884 2774.0291 0.0000 0.0000 52508.7277 -109090.9633 301.7684 -161599.6910 -108708.1492 300.2991 -135.2701 -107.8468 761566.0413 -1.8389 -1.8678 PRESSURE: 3582200 -89.0906 26.1461 13.3313 26.1465 165.31 -68.984 13.3314 -68.9843 -323.988 GPRESSURE: 3582200 -154.56 110.885 4.06321 -23.2572 180.814 30.7007 45.9365 11.9373 -201.859 PRESSAVG: 3582200 24.9341 -42.3827 -22.2564 -42.3827 34.6731 -8.19492 -22.2564 -8.19484 -20.6001 GPRESSAVG: 3582200 24.647 -43.7208 -22.0503 -42.5766 33.7045 -8.38435 -22.7766 -4.00168 -19.9032 TIMING: 3582200 CPU: 11319.6, 0.00314376/step Wall: 11319.6, 0.00314376/step, 1.23812 hours remaining, 235.925781 MB of memory in use. ENERGY: 3582200 4053.7690 20691.1486 14442.6583 244.9161 -203138.6602 2610.3933 0.0000 0.0000 51937.9872 -109157.7877 298.4883 -161095.7749 -108799.6931 299.9388 -82.5893 -58.5350 762519.0355 13.0024 12.8161 PRESSURE: 3582400 -3.33951 75.672 -269.229 75.6724 -238.193 27.0603 -269.229 27.06 -21.6317 GPRESSURE: 3582400 24.0758 47.4286 -222.33 -33.6314 -230.807 4.22433 -182.019 -76.8222 38.0323 PRESSAVG: 3582400 0.236299 -21.1834 -49.8463 -21.1834 -25.6182 22.0605 -49.8462 22.0606 3.19292 GPRESSAVG: 3582400 -0.338045 -21.8549 -46.718 -21.7826 -25.5652 22.9169 -50.4834 18.6399 3.26164 TIMING: 3582400 CPU: 11320.2, 0.00314023/step Wall: 11320.2, 0.00314023/step, 1.23655 hours remaining, 235.925781 MB of memory in use. ENERGY: 3582400 3977.4481 20643.8015 14413.3242 245.8015 -203123.4659 2448.7493 0.0000 0.0000 52128.6581 -109265.6831 299.5841 -161394.3413 -108896.7593 299.7181 -87.7214 -56.2329 762985.6057 -7.3963 -7.5472 PRESSURE: 3582600 13.2642 -47.6326 76.3191 -47.6324 -6.45359 86.4884 76.3189 86.4884 -165.734 GPRESSURE: 3582600 110.232 -98.4578 51.0712 -148.456 7.43071 141.374 266.59 159.833 -194.277 PRESSAVG: 3582600 -5.8829 6.78122 -30.7406 6.78122 -14.5233 9.49925 -30.7406 9.49922 -14.2368 GPRESSAVG: 3582600 -5.68005 8.34532 -32.72 5.89919 -13.0059 10.3658 -30.3764 8.33452 -15.9452 TIMING: 3582600 CPU: 11320.9, 0.00315442/step Wall: 11320.9, 0.00315442/step, 1.24196 hours remaining, 235.925781 MB of memory in use. ENERGY: 3582600 4071.4069 20591.4561 14493.8274 244.0017 -203029.5778 2450.4351 0.0000 0.0000 51905.4963 -109272.9543 298.3016 -161178.4506 -108918.1627 299.7213 -52.9746 -25.5381 763494.7160 -11.5477 -11.5437 PRESSURE: 3582800 -251.838 47.8691 108.076 47.8699 209.477 -102.941 108.075 -102.941 -198.677 GPRESSURE: 3582800 -187.021 88.9323 56.6583 26.0419 94.2055 -47.5183 96.2144 -138.157 -75.1564 PRESSAVG: 3582800 39.8535 -24.8613 -12.4577 -24.8613 -12.9455 -26.3479 -12.4576 -26.3479 -1.65373 GPRESSAVG: 3582800 40.0877 -23.9668 -13.2785 -24.678 -14.1701 -26.0108 -12.0478 -26.1158 -0.702449 TIMING: 3582800 CPU: 11321.5, 0.0031494/step Wall: 11321.5, 0.0031494/step, 1.23981 hours remaining, 235.925781 MB of memory in use. ENERGY: 3582800 4064.9335 20513.7551 14411.3141 253.4643 -203494.9108 2660.9374 0.0000 0.0000 52031.8087 -109558.6976 299.0275 -161590.5063 -109198.3505 298.8734 -80.3460 -55.9905 761539.6136 8.4181 8.4051 PRESSURE: 3583000 236.876 93.7369 -89.1819 93.7362 -11.345 -50.8624 -89.1811 -50.8619 130.079 GPRESSURE: 3583000 153.578 113.142 -98.2721 -52.4474 75.392 -3.44043 -54.9536 -37.6536 218.836 PRESSAVG: 3583000 4.64804 43.4934 18.408 43.4933 15.9437 -3.96036 18.408 -3.96037 1.83368 GPRESSAVG: 3583000 4.44325 39.2768 18.6007 44.6224 17.0679 -5.01148 18.1297 -6.43853 1.39395 TIMING: 3583000 CPU: 11322.1, 0.00315418/step Wall: 11322.1, 0.00315418/step, 1.24152 hours remaining, 235.925781 MB of memory in use. ENERGY: 3583000 3971.4807 20629.2157 14450.7548 254.6251 -203531.8472 2728.8130 0.0000 0.0000 51983.0076 -109513.9502 298.7471 -161496.9578 -109153.4767 298.7824 118.5367 149.2686 761081.8886 7.4751 7.6350 PRESSURE: 3583200 -62.5781 215.342 84.3482 215.342 -397.802 154.58 84.3488 154.58 -180.305 GPRESSURE: 3583200 -15.5135 308.958 10.5184 156.261 -344.399 140.031 80.9632 255.824 -173.015 PRESSAVG: 3583200 79.9418 70.3167 -9.48212 70.3167 -68.8071 52.1845 -9.48203 52.1845 7.08193 GPRESSAVG: 3583200 81.2093 73.334 -8.72866 69.311 -70.3761 53.6099 -11.005 54.4744 7.68737 TIMING: 3583200 CPU: 11322.8, 0.00315382/step Wall: 11322.8, 0.00315382/step, 1.2412 hours remaining, 235.925781 MB of memory in use. ENERGY: 3583200 3929.3568 20508.8924 14413.7544 235.1018 -203301.7286 2619.2411 0.0000 0.0000 51934.5761 -109660.8059 298.4687 -161595.3821 -109282.3576 298.6416 -213.5615 -177.6424 761923.5698 6.0722 6.1735 PRESSURE: 3583400 126.924 -112.472 -28.175 -112.472 -34.5003 -46.9167 -28.1754 -46.9165 180.703 GPRESSURE: 3583400 182.934 -76.983 -86.508 -198.26 -13.8635 4.82036 -120.304 -133.955 189 PRESSAVG: 3583400 32.4571 36.4343 -43.2009 36.4343 -52.8603 -2.85282 -43.2009 -2.85283 13.5505 GPRESSAVG: 3583400 32.3054 37.5374 -42.6794 35.9491 -52.4826 -2.40173 -42.8986 -2.19505 12.976 TIMING: 3583400 CPU: 11323.4, 0.0031487/step Wall: 11323.4, 0.0031487/step, 1.23901 hours remaining, 235.925781 MB of memory in use. ENERGY: 3583400 3876.7935 20500.4457 14443.9809 248.6382 -203349.1945 2647.9883 0.0000 0.0000 51956.4740 -109674.8738 298.5946 -161631.3478 -109318.5678 298.7745 91.0422 119.3569 761891.4883 -2.2842 -2.4004 PRESSURE: 3583600 -138.082 -165.011 -168.089 -165.011 -258.151 -43.3959 -168.09 -43.3957 -27.6041 GPRESSURE: 3583600 -136.875 -207.832 -195.489 -63.6285 -216.213 -18.7536 -210.66 -49.0603 19.4718 PRESSAVG: 3583600 39.3513 -25.208 -35.656 -25.208 -62.5006 65.9281 -35.656 65.9282 7.80662 GPRESSAVG: 3583600 39.7057 -26.3191 -37.456 -25.0965 -63.733 63.6783 -34.3726 65.3904 8.47506 TIMING: 3583600 CPU: 11324, 0.00314819/step Wall: 11324, 0.00314819/step, 1.23864 hours remaining, 235.925781 MB of memory in use. ENERGY: 3583600 4028.3827 20545.5134 14422.0619 254.5453 -203051.2412 2375.6606 0.0000 0.0000 51725.4128 -109699.6645 297.2667 -161425.0773 -109334.1369 298.4209 -141.2791 -111.2054 762738.8047 -5.1142 -5.1841 PRESSURE: 3583800 -95.6757 -65.0133 -49.9671 -65.0141 -524.596 -80.121 -49.9683 -80.1212 25.3764 GPRESSURE: 3583800 -158.021 -105.823 -12.7068 -42.2715 -395.743 -97.202 -52.122 -35.6595 31.8387 PRESSAVG: 3583800 11.1324 -4.22378 17.3276 -4.22385 -67.2299 30.439 17.3276 30.4389 -33.6958 GPRESSAVG: 3583800 10.7386 -4.33774 18.6689 -3.54946 -65.6595 31.772 17.7354 29.8129 -34.858 TIMING: 3583800 CPU: 11324.7, 0.0031443/step Wall: 11324.7, 0.0031443/step, 1.23693 hours remaining, 235.925781 MB of memory in use. ENERGY: 3583800 3955.0164 20513.2188 14434.2330 237.6048 -203253.4680 2438.3551 0.0000 0.0000 51807.1594 -109867.8805 297.7365 -161675.0399 -109518.9590 297.8700 -198.2983 -173.9751 761795.0320 -29.9311 -29.9263 PRESSURE: 3584000 -32.9489 -28.8169 150.798 -28.8177 13.194 49.7523 150.797 49.7511 24.4231 GPRESSURE: 3584000 74.9774 46.542 67.258 6.36555 -14.7434 158.852 211.379 -32.4443 34.6651 PRESSAVG: 3584000 22.0171 6.47037 3.37929 6.47036 -21.1568 23.3002 3.37932 23.3002 -6.1582 GPRESSAVG: 3584000 22.5946 7.71583 4.75752 5.69329 -21.672 21.0331 2.55951 23.7554 -6.23169 TIMING: 3584000 CPU: 11325.3, 0.0031728/step Wall: 11325.3, 0.0031728/step, 1.24797 hours remaining, 235.925781 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: 3584000 4032.1716 20372.4563 14448.3479 234.4307 -203408.5154 2631.4202 0.0000 0.0000 52021.3398 -109668.3489 298.9674 -161689.6887 -109304.5183 298.3712 1.5561 31.6330 761621.1918 -1.7660 -1.7697 PRESSURE: 3584200 -325.7 -15.57 44.7481 -15.57 -235.957 15.1386 44.7485 15.1389 -123.68 GPRESSURE: 3584200 -177.826 -54.7841 158.311 -179.847 -187.802 37.761 44.2658 98.9185 -213.445 PRESSAVG: 3584200 11.141 0.0650052 57.0138 0.0650165 -31.5023 -11.3078 57.0138 -11.3079 16.9431 GPRESSAVG: 3584200 11.0534 -2.84817 55.2198 0.306443 -31.9174 -10.3016 55.9141 -11.0216 17.264 TIMING: 3584200 CPU: 11325.9, 0.00314666/step Wall: 11325.9, 0.00314666/step, 1.23751 hours remaining, 235.925781 MB of memory in use. ENERGY: 3584200 3933.9358 20447.0896 14427.3158 253.5503 -203625.9988 2806.0064 0.0000 0.0000 52227.1529 -109530.9480 300.1502 -161758.1008 -109165.2839 298.9058 -228.4457 -193.0244 764758.9872 -1.1394 -1.2000 LDB: ============= START OF LOAD BALANCING ============== 11338.5 LDB: ============== END OF LOAD BALANCING =============== 11338.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11338.5 LDB: ============= START OF LOAD BALANCING ============== 11338.8 LDB: Largest compute 7073 load 0.032904 is 16.8% of average load 0.195520 LDB: Average compute 0.004378 is 2.2% of average load 0.195520 LDB: TIME 11338.8 LOAD: AVG 0.19552 MAX 0.214435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 11338.8 LOAD: AVG 0.19552 MAX 0.214435 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 11338.8 LOAD: AVG 0.19552 MAX 0.214435 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 11338.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11338.8 PRESSURE: 3584400 -377.093 164.578 -205.339 164.578 -367.637 117.397 -205.337 117.396 -81.9197 GPRESSURE: 3584400 -439.432 123.772 -156.525 158.388 -224.539 175.525 -131.176 87.0982 -90.9195 PRESSAVG: 3584400 -8.60402 -25.9911 26.8448 -25.9911 27.9101 32.353 26.8448 32.353 15.1431 GPRESSAVG: 3584400 -9.61333 -25.2876 27.4534 -24.344 28.783 33.1835 26.9959 33.7771 15.4606 TIMING: 3584400 CPU: 11326.6, 0.00322206/step Wall: 11326.6, 0.00322206/step, 1.26699 hours remaining, 235.695312 MB of memory in use. ENERGY: 3584400 3940.8538 20518.4063 14503.8522 237.9731 -203169.4969 2511.5597 0.0000 0.0000 51964.1924 -109492.6594 298.6389 -161456.8518 -109133.3194 299.0427 -275.5500 -251.6302 761466.4239 11.4831 11.5434 PRESSURE: 3584600 -164.777 -222.693 20.1335 -222.694 -333.35 -227.867 20.134 -227.867 -434.242 GPRESSURE: 3584600 -253.337 -192.477 47.4245 -114.348 -200.12 -101.804 -12.8129 -301.577 -393.231 PRESSAVG: 3584600 -12.4371 -29.5379 7.8122 -29.5379 57.7747 -55.0164 7.81217 -55.0163 -4.52626 GPRESSAVG: 3584600 -12.1949 -26.6859 9.408 -30.3071 58.3504 -54.686 7.16148 -56.1097 -5.37169 TIMING: 3584600 CPU: 11327.2, 0.00317274/step Wall: 11327.2, 0.00317274/step, 1.24741 hours remaining, 236.156250 MB of memory in use. ENERGY: 3584600 4062.3441 20542.0817 14455.0047 231.7556 -203389.8976 2344.8720 0.0000 0.0000 52138.2211 -109615.6184 299.6391 -161753.8395 -109255.4955 299.6900 -310.7899 -282.2291 762579.7712 13.6038 13.5946 PRESSURE: 3584800 -111.957 34.0832 -17.8654 34.0829 42.7033 -218.686 -17.8657 -218.688 -64.1155 GPRESSURE: 3584800 -20.99 -20.4916 32.5666 -73.3542 -63.3401 -201.616 -89.4923 -198.88 34.2405 PRESSAVG: 3584800 0.374535 -3.13276 67.4496 -3.13274 -2.88808 -1.91736 67.4496 -1.91729 -7.04173 GPRESSAVG: 3584800 1.0712 -7.4624 66.5794 -2.63343 -4.25969 -3.8115 68.2019 -2.97534 -6.6074 TIMING: 3584800 CPU: 11327.8, 0.0031733/step Wall: 11327.8, 0.0031733/step, 1.24746 hours remaining, 236.414062 MB of memory in use. ENERGY: 3584800 4003.3702 20549.0202 14414.4731 244.8115 -203669.2129 2588.8172 0.0000 0.0000 52196.1586 -109672.5620 299.9720 -161868.7207 -109310.8084 299.1239 -44.4563 -16.6965 761925.9818 -3.1851 -3.2653 PRESSURE: 3585000 -127.468 68.8935 83.8283 68.8937 185.13 4.0787 83.8286 4.08014 -211.177 GPRESSURE: 3585000 -120.665 16.2948 4.20198 23.8977 202.251 63.3441 140.523 -29.7215 -158.326 PRESSAVG: 3585000 5.29929 -30.2103 17.8785 -30.2103 -27.7346 -36.7726 17.8785 -36.7726 -15.3751 GPRESSAVG: 3585000 4.68298 -27.3297 17.1635 -31.3023 -27.7926 -36.8209 17.971 -35.8605 -14.2985 TIMING: 3585000 CPU: 11328.5, 0.00317097/step Wall: 11328.5, 0.00317097/step, 1.24637 hours remaining, 236.660156 MB of memory in use. ENERGY: 3585000 3972.6348 20613.4107 14435.7767 245.7928 -203358.7395 2662.6270 0.0000 0.0000 51823.3968 -109605.1008 297.8298 -161428.4976 -109240.3480 298.7263 -51.1718 -25.5800 763307.7853 -12.6035 -12.4694 PRESSURE: 3585200 -225.128 -87.8621 159.089 -87.8611 -379.954 -215.17 159.09 -215.171 -340.13 GPRESSURE: 3585200 -151.656 -50.4336 144.921 -45.7408 -311.966 -186.742 -15.3919 -7.36113 -388.546 PRESSAVG: 3585200 6.86396 -25.2598 8.24861 -25.2598 1.62284 4.00726 8.24861 4.00733 -7.91131 GPRESSAVG: 3585200 7.0672 -25.5183 7.61008 -24.1457 2.61186 5.9582 10.3083 5.36473 -8.40126 TIMING: 3585200 CPU: 11329.1, 0.00316868/step Wall: 11329.1, 0.00316868/step, 1.24529 hours remaining, 236.660156 MB of memory in use. ENERGY: 3585200 3910.1581 20361.0311 14423.2749 250.7412 -203071.7514 2277.6094 0.0000 0.0000 52111.9160 -109737.0207 299.4879 -161848.9366 -109368.3566 298.4266 -315.0706 -284.0559 762948.8611 0.1918 0.4259 PRESSURE: 3585400 -161.037 -173.675 32.0565 -173.674 162.293 61.0086 32.0566 61.0092 -21.2229 GPRESSURE: 3585400 -95.818 -81.6057 22.5951 -106.533 236.216 133.596 52.268 11.8927 -70.8639 PRESSAVG: 3585400 22.6596 -21.2298 40.4589 -21.2298 16.6187 2.23226 40.4588 2.23229 19.0102 GPRESSAVG: 3585400 23.158 -21.2994 39.1132 -21.7737 16.4839 2.05892 39.9849 -0.442301 18.4989 TIMING: 3585400 CPU: 11329.7, 0.00317702/step Wall: 11329.7, 0.00317701/step, 1.24839 hours remaining, 236.660156 MB of memory in use. ENERGY: 3585400 4093.1628 20519.1360 14374.0703 247.9854 -203621.2413 2571.8859 0.0000 0.0000 52054.9459 -109760.0549 299.1605 -161815.0008 -109395.5320 298.7480 -6.6553 23.1780 759938.9401 19.4295 19.3803 PRESSURE: 3585600 -156.723 -162.056 0.991033 -162.057 -97.9313 -210.017 0.99174 -210.017 -124.944 GPRESSURE: 3585600 -42.4453 -38.1357 -58.6915 -100.514 -96.9741 -131.101 100.92 -192.222 -150.562 PRESSAVG: 3585600 42.7998 -22.8338 -16.4932 -22.8337 -24.4621 -19.4988 -16.4932 -19.4989 -27.3841 GPRESSAVG: 3585600 42.4523 -22.9908 -14.6908 -23.5433 -24.6035 -18.0781 -18.4389 -17.8079 -27.4083 TIMING: 3585600 CPU: 11330.4, 0.00315116/step Wall: 11330.4, 0.00315116/step, 1.23805 hours remaining, 236.660156 MB of memory in use. ENERGY: 3585600 4006.2846 20605.8710 14470.4964 247.1123 -203338.3857 2496.7766 0.0000 0.0000 52044.9793 -109466.8656 299.1032 -161511.8448 -109103.9111 298.8619 -126.5330 -96.6603 760967.4250 -3.0155 -3.1865 PRESSURE: 3585800 147.199 -13.6286 -176.598 -13.6274 -240.679 -6.47835 -176.598 -6.47848 17.0588 GPRESSURE: 3585800 205.712 44.9228 -308.044 -26.7954 -179.973 39.9691 -145.61 27.6403 -20.4227 PRESSAVG: 3585800 47.6579 -29.8548 45.5267 -29.8548 -61.7658 -41.7469 45.5267 -41.7469 2.90137 GPRESSAVG: 3585800 47.9762 -29.0949 46.3534 -28.2805 -60.6768 -44.1481 46.1986 -41.0958 2.27635 TIMING: 3585800 CPU: 11331, 0.00315856/step Wall: 11331, 0.00315856/step, 1.24079 hours remaining, 236.660156 MB of memory in use. ENERGY: 3585800 4010.2641 20391.1110 14445.3120 244.6145 -203074.5171 2420.8416 0.0000 0.0000 51899.3284 -109663.0456 298.2662 -161562.3740 -109295.5662 299.1482 -25.4735 1.7719 760007.1844 -3.7355 -3.4747 PRESSURE: 3586000 245.153 143.538 112.516 143.539 -192.499 15.5409 112.515 15.5402 -179.226 GPRESSURE: 3586000 240.6 66.8601 -7.22627 180.019 -143.677 3.65626 120.047 92.5034 -148.551 PRESSAVG: 3586000 20.9339 -9.05547 13.3552 -9.05549 -31.3735 13.7176 13.3552 13.7176 -8.72835 GPRESSAVG: 3586000 21.0247 -10.6928 13.8501 -10.41 -31.7106 14.3789 12.861 11.2125 -8.63897 TIMING: 3586000 CPU: 11331.6, 0.00315771/step Wall: 11331.6, 0.00315771/step, 1.24028 hours remaining, 236.660156 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: 3586000 4048.9703 20573.1746 14384.6145 246.0628 -203179.0604 2490.1320 0.0000 0.0000 51852.9510 -109583.1552 297.9996 -161436.1062 -109227.3340 299.0307 -42.1906 -17.2094 760889.3301 -6.3893 -6.4416 PRESSURE: 3586200 249.346 99.7802 158.797 99.7796 76.8084 -116.093 158.797 -116.094 107.624 GPRESSURE: 3586200 289.358 0.478674 74.514 66.5011 93.4511 -134.383 78.1589 -98.762 122.061 PRESSAVG: 3586200 22.895 19.2839 34.7639 19.2839 0.995501 -14.8103 34.764 -14.8102 -5.55104 GPRESSAVG: 3586200 20.5903 18.4222 32.5293 19.0973 1.83986 -15.8038 34.5506 -11.7027 -4.96228 TIMING: 3586200 CPU: 11332.3, 0.00315823/step Wall: 11332.3, 0.00315823/step, 1.24031 hours remaining, 236.660156 MB of memory in use. ENERGY: 3586200 4040.7876 20584.8737 14476.7523 248.7059 -203917.5342 2991.5045 0.0000 0.0000 52132.2094 -109442.7008 299.6045 -161574.9102 -109087.7221 299.2333 144.5927 168.2902 759065.9945 6.1132 5.8226 PRESSURE: 3586400 82.7665 -88.4953 93.9685 -88.4948 459.75 132.616 93.9673 132.616 399.14 GPRESSURE: 3586400 107.52 -31.8563 129.031 -36.03 461.567 95.5395 177.989 47.2374 455.597 PRESSAVG: 3586400 28.0515 -19.3252 8.05594 -19.3252 -34.4163 -15.4558 8.05596 -15.4558 12.2656 GPRESSAVG: 3586400 28.4884 -17.7629 9.22067 -18.6307 -34.9155 -14.0345 8.38331 -16.419 12.2687 TIMING: 3586400 CPU: 11332.9, 0.00313524/step Wall: 11332.9, 0.00313524/step, 1.2311 hours remaining, 236.660156 MB of memory in use. ENERGY: 3586400 3929.5494 20570.7247 14470.4814 264.2887 -203355.0956 2726.7627 0.0000 0.0000 51929.2615 -109464.0272 298.4382 -161393.2887 -109111.5572 298.7908 313.8856 341.5612 759728.3521 1.9670 1.9472 PRESSURE: 3586600 127.482 -10.9998 -119.357 -10.9997 436.321 -68.2547 -119.357 -68.2555 494.231 GPRESSURE: 3586600 244.468 -4.45983 -164.023 -44.0579 397.949 -25.2533 -163.374 -24.9251 524.679 PRESSAVG: 3586600 18.306 0.234687 38.1766 0.234678 -20.4758 -50.4485 38.1766 -50.4484 17.1432 GPRESSAVG: 3586600 18.5492 -1.45862 38.8657 -3.13294 -20.3896 -50.6034 39.5986 -50.7901 17.0962 TIMING: 3586600 CPU: 11333.5, 0.00315064/step Wall: 11333.5, 0.00315064/step, 1.23698 hours remaining, 236.660156 MB of memory in use. ENERGY: 3586600 3933.3328 20360.3708 14481.9238 236.3077 -203952.8343 3374.5429 0.0000 0.0000 52034.6441 -109531.7122 299.0438 -161566.3563 -109174.0602 299.0570 352.6781 389.0320 762321.0515 4.9911 5.0853 PRESSURE: 3586800 127.047 -157.546 46.968 -157.548 194.083 -83.7801 46.9679 -83.7792 69.839 GPRESSURE: 3586800 204.688 -267.716 99.2747 33.1544 248.975 -91.1163 -56.9649 40.101 16.2099 PRESSAVG: 3586800 15.9046 -10.054 36.0111 -10.054 -12.1698 -34.4603 36.011 -34.4604 -9.12003 GPRESSAVG: 3586800 15.7391 -9.18805 34.72 -6.45893 -12.4919 -33.4084 35.7586 -34.8995 -8.42976 TIMING: 3586800 CPU: 11334.2, 0.0031478/step Wall: 11334.2, 0.0031478/step, 1.23569 hours remaining, 236.660156 MB of memory in use. ENERGY: 3586800 3908.0684 20433.9496 14480.2188 250.2478 -203589.1501 2818.3822 0.0000 0.0000 52169.8333 -109528.4499 299.8207 -161698.2832 -109165.5378 299.0038 130.3231 156.6242 759959.9161 -1.7951 -1.7275 PRESSURE: 3587000 -128.246 124.654 -5.0874 124.656 -122.685 41.4727 -5.088 41.4713 -317.655 GPRESSURE: 3587000 -103.585 79.084 23.7557 24.4929 -58.756 -26.193 43.6506 69.3295 -321.302 PRESSAVG: 3587000 20.4714 -2.64196 7.70951 -2.64183 -22.918 15.0903 7.70957 15.0903 3.39845 GPRESSAVG: 3587000 20.0808 -2.69043 8.9742 -2.23107 -22.9486 15.1473 8.19574 15.2912 3.50037 TIMING: 3587000 CPU: 11334.8, 0.00311057/step Wall: 11334.8, 0.00311057/step, 1.2209 hours remaining, 236.660156 MB of memory in use. ENERGY: 3587000 3921.9783 20472.8890 14423.3057 248.2689 -203224.4812 2546.3919 0.0000 0.0000 52229.9422 -109381.7052 300.1662 -161611.6474 -109008.6657 299.1247 -189.5288 -161.2145 759865.6593 0.3173 0.2109 PRESSURE: 3587200 -156.921 15.2883 -67.4865 15.2885 33.8467 265.909 -67.4866 265.909 -354.115 GPRESSURE: 3587200 -90.195 -38.6951 -10.3255 53.1292 13.6461 128.291 -42.9725 207.771 -311.855 PRESSAVG: 3587200 -25.1435 -0.035535 21.3087 -0.0355533 -0.0276242 19.3639 21.3087 19.3639 -8.64048 GPRESSAVG: 3587200 -24.3778 0.618555 20.6559 -1.98588 -0.438234 19.1999 19.3296 20.5455 -8.37179 TIMING: 3587200 CPU: 11335.4, 0.00313852/step Wall: 11335.4, 0.00313852/step, 1.2317 hours remaining, 236.660156 MB of memory in use. ENERGY: 3587200 3983.3094 20546.0918 14412.5877 244.3534 -203084.8146 2486.8785 0.0000 0.0000 52169.8195 -109241.7742 299.8207 -161411.5937 -108865.8689 299.6287 -159.0632 -129.4680 760893.6397 -11.2705 -11.0626 PRESSURE: 3587400 141.992 54.9469 -181.414 54.9478 -152.594 -236.576 -181.414 -236.575 478.965 GPRESSURE: 3587400 199.665 -122.415 -106.498 44.0039 -131.501 -324.435 -125.041 -56.2477 482.34 PRESSAVG: 3587400 33.0673 -24.1093 50.1088 -24.1093 -61.6555 46.673 50.1089 46.673 -8.26891 GPRESSAVG: 3587400 32.2148 -23.7409 49.2103 -22.057 -60.2968 44.7592 51.6407 46.4592 -8.66182 TIMING: 3587400 CPU: 11336, 0.00315251/step Wall: 11336, 0.00315251/step, 1.23701 hours remaining, 236.660156 MB of memory in use. ENERGY: 3587400 4019.1085 20518.0863 14483.7857 264.6836 -203033.4342 2495.0061 0.0000 0.0000 52231.7321 -109021.0319 300.1765 -161252.7639 -108663.6683 300.5088 156.1208 183.5016 760848.1517 -12.2857 -12.2479 PRESSURE: 3587600 330.484 2.96132 -114.703 2.96173 36.9828 -8.05845 -114.703 -8.0578 44.2646 GPRESSURE: 3587600 373.616 -10.023 -193.189 -30.7483 41.2275 -3.0347 -222.951 28.0013 74.2168 PRESSAVG: 3587600 40.5724 -22.1782 -48.6495 -22.1783 -12.1966 7.95177 -48.6495 7.95174 24.5196 GPRESSAVG: 3587600 39.8025 -23.7869 -48.4611 -22.4188 -12.1592 10.1207 -48.3475 8.47876 24.9709 TIMING: 3587600 CPU: 11336.7, 0.00315035/step Wall: 11336.7, 0.00315035/step, 1.23599 hours remaining, 236.660156 MB of memory in use. ENERGY: 3587600 4022.4657 20593.7889 14384.3310 227.5756 -203377.1152 2736.0535 0.0000 0.0000 52408.7178 -109004.1827 301.1936 -161412.9005 -108649.5170 300.5097 137.2439 163.0200 760459.3538 17.6318 17.5380 PRESSURE: 3587800 -214.127 -45.7086 222.342 -45.7082 -169.852 170.371 222.342 170.371 334.666 GPRESSURE: 3587800 -135.307 -5.60655 68.3522 -26.1705 -91.6785 217.459 289.429 221.844 282.633 PRESSAVG: 3587800 23.732 20.6677 28.472 20.6678 -8.17297 -2.24677 28.4719 -2.24677 7.61701 GPRESSAVG: 3587800 26.173 23.5881 27.4987 19.9431 -10.2752 -3.27186 29.6032 -2.67712 7.79434 TIMING: 3587800 CPU: 11337.3, 0.00315088/step Wall: 11337.3, 0.00315088/step, 1.23602 hours remaining, 236.660156 MB of memory in use. ENERGY: 3587800 3904.0872 20570.2998 14478.3851 257.4549 -202990.6862 2287.6540 0.0000 0.0000 52270.1745 -109222.6307 300.3974 -161492.8052 -108858.4058 300.5192 -16.4376 18.5494 759301.9339 7.7253 7.8974 PRESSURE: 3588000 -86.3643 -118.452 262.071 -118.45 78.9526 8.84481 262.071 8.8444 -93.5327 GPRESSURE: 3588000 -63.8602 -164.906 364.444 -112.44 134.094 -13.921 28.2352 -110.873 -75.4455 PRESSAVG: 3588000 18.118 -18.3474 45.9771 -18.3473 -26.2056 -7.01559 45.9771 -7.01561 2.35141 GPRESSAVG: 3588000 15.776 -20.1309 47.361 -16.527 -23.8053 -7.89483 44.7748 -7.82934 2.49989 TIMING: 3588000 CPU: 11337.9, 0.00316041/step Wall: 11337.9, 0.00316041/step, 1.23958 hours remaining, 236.660156 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: 3588000 3921.3409 20562.2530 14440.7422 237.8137 -203281.3527 2463.6884 0.0000 0.0000 52524.8016 -109130.7128 301.8608 -161655.5144 -108760.7538 300.2817 -33.6481 -1.7373 760198.6833 -1.9121 -1.8431 PRESSURE: 3588200 136.895 344.439 -200.575 344.439 225.288 -47.8736 -200.574 -47.8732 21.3372 GPRESSURE: 3588200 179.333 294.59 -150.389 269.968 310.175 -39.1676 -135.967 -37.971 -36.0758 PRESSAVG: 3588200 32.9202 -16.7668 0.305186 -16.7668 -58.2411 2.14026 0.305178 2.14015 11.9479 GPRESSAVG: 3588200 32.7337 -15.1266 -1.03032 -20.3441 -58.0888 2.67759 0.760547 1.49516 12.0299 TIMING: 3588200 CPU: 11338.6, 0.00316592/step Wall: 11338.6, 0.00316592/step, 1.24157 hours remaining, 236.660156 MB of memory in use. ENERGY: 3588200 4016.0779 20562.3939 14442.5767 249.4365 -203185.0602 2576.2012 0.0000 0.0000 52173.8608 -109164.5133 299.8439 -161338.3740 -108801.4117 300.2082 127.8400 151.1442 760197.8876 -4.4577 -4.4417 LDB: ============= START OF LOAD BALANCING ============== 11351.1 LDB: ============== END OF LOAD BALANCING =============== 11351.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11351.1 LDB: ============= START OF LOAD BALANCING ============== 11351.4 LDB: Largest compute 7034 load 0.031281 is 16.0% of average load 0.195581 LDB: Average compute 0.004379 is 2.2% of average load 0.195581 LDB: TIME 11351.4 LOAD: AVG 0.195581 MAX 0.216304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 11351.4 LOAD: AVG 0.195581 MAX 0.216304 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: TIME 11351.4 LOAD: AVG 0.195581 MAX 0.216304 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.355 MB LDB: ============== END OF LOAD BALANCING =============== 11351.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11351.4 PRESSURE: 3588400 -202.004 -78.4851 193.495 -78.4844 218.284 185.884 193.494 185.885 -109.657 GPRESSURE: 3588400 -195.132 -180.111 179.01 -80.812 259.26 93.1666 180.991 175.14 -61.1728 PRESSAVG: 3588400 3.34941 -7.06718 55.8446 -7.06713 -3.13633 -24.5086 55.8446 -24.5086 12.2167 GPRESSAVG: 3588400 7.01596 -9.72987 57.1982 -6.02599 -5.54921 -24.883 55.7397 -24.1314 10.937 TIMING: 3588400 CPU: 11339.2, 0.00326023/step Wall: 11339.2, 0.00326023/step, 1.27837 hours remaining, 235.914062 MB of memory in use. ENERGY: 3588400 4034.5738 20450.1989 14432.9788 238.8437 -203208.8486 2533.2363 0.0000 0.0000 52207.2801 -109311.7371 300.0360 -161519.0172 -108945.4800 299.9669 -31.1259 0.9852 760672.4395 4.1433 4.1346 PRESSURE: 3588600 -10.4254 -392.665 -51.7411 -392.665 350.715 52.5737 -51.7415 52.5745 -117.497 GPRESSURE: 3588600 76.6536 -374.067 -135.419 -304.501 328.69 88.1417 -120.494 99.5121 -100.202 PRESSAVG: 3588600 -6.13571 -32.1927 -8.38542 -32.1927 34.241 -41.6882 -8.38541 -41.6881 12.925 GPRESSAVG: 3588600 -9.49416 -30.3537 -8.49786 -30.6122 36.0185 -41.6903 -10.034 -39.6287 14.9315 TIMING: 3588600 CPU: 11339.8, 0.00317764/step Wall: 11339.8, 0.00317764/step, 1.24581 hours remaining, 235.914062 MB of memory in use. ENERGY: 3588600 3998.9805 20633.1017 14368.1908 239.1115 -202876.9773 2527.1199 0.0000 0.0000 51717.5695 -109392.9034 297.2216 -161110.4729 -109036.6075 299.2609 74.2641 101.7138 761389.8851 13.6768 13.8186 PRESSURE: 3588800 -170.966 343.561 -218.341 343.562 -105.543 161.02 -218.341 161.021 -169.136 GPRESSURE: 3588800 -97.516 347.867 -231.886 292.082 -101.993 122.138 -134.371 305.926 -172.89 PRESSAVG: 3588800 -35.7922 -28.4552 -36.1816 -28.4552 26.6049 -8.17497 -36.1817 -8.17498 -15.4374 GPRESSAVG: 3588800 -35.4297 -28.0437 -37.8775 -28.7084 26.5352 -5.61604 -34.023 -10.0115 -15.7103 TIMING: 3588800 CPU: 11340.5, 0.00315516/step Wall: 11340.5, 0.00315516/step, 1.23682 hours remaining, 235.914062 MB of memory in use. ENERGY: 3588800 4081.0906 20510.9687 14451.2848 256.0222 -203426.3676 2528.9228 0.0000 0.0000 52086.9438 -109511.1346 299.3444 -161598.0784 -109149.2266 298.9034 -148.5484 -124.1331 762164.8237 -8.2082 -8.2016 PRESSURE: 3589000 -279.55 -11.7412 -106.769 -11.7419 16.2866 -28.0042 -106.769 -28.0024 261.388 GPRESSURE: 3589000 -250.186 10.7459 -58.1903 66.9646 160.917 -101.257 -184.81 -5.81394 173.316 PRESSAVG: 3589000 -2.23554 13.6784 -11.8921 13.6784 8.60665 -51.0862 -11.8922 -51.0861 4.72035 GPRESSAVG: 3589000 -1.70803 12.9945 -12.0913 12.5026 9.58042 -53.3467 -12.2927 -48.4002 3.68743 TIMING: 3589000 CPU: 11341.1, 0.00318267/step Wall: 11341.1, 0.00318267/step, 1.24743 hours remaining, 235.914062 MB of memory in use. ENERGY: 3589000 3993.2278 20564.6078 14433.5615 233.0020 -203145.4343 2570.8147 0.0000 0.0000 51905.6515 -109444.5691 298.3025 -161350.2206 -109085.1291 299.2129 -0.6250 28.0156 761651.5983 3.6972 3.8533 PRESSURE: 3589200 197.604 -210.344 78.0998 -210.344 -300.314 -145.936 78.0995 -145.937 -31.0036 GPRESSURE: 3589200 164.222 -127.409 53.9109 -241.608 -219.369 -122.458 156.243 -121.79 24.4562 PRESSAVG: 3589200 -1.27627 14.3799 -39.2249 14.3799 -20.0207 -13.559 -39.2249 -13.559 -13.3043 GPRESSAVG: 3589200 -1.2951 15.697 -36.9082 16.0874 -21.6742 -11.6733 -39.8735 -15.1199 -11.8257 TIMING: 3589200 CPU: 11341.7, 0.00317607/step Wall: 11341.7, 0.00317607/step, 1.24467 hours remaining, 235.914062 MB of memory in use. ENERGY: 3589200 3984.4141 20245.7551 14446.6695 260.1339 -202987.2144 2586.6628 0.0000 0.0000 52062.2898 -109401.2892 299.2027 -161463.5790 -109038.3913 299.0599 -44.5711 -10.2301 762050.6597 -11.5337 -11.5983 PRESSURE: 3589400 508.281 190.005 -274.33 190.005 172.567 -31.305 -274.33 -31.3049 200.22 GPRESSURE: 3589400 523.409 60.6502 -217.546 173.012 240.354 55.3247 -265.752 -56.4844 219.334 PRESSAVG: 3589400 4.54196 22.7811 -18.4412 22.7811 4.17896 13.2386 -18.4412 13.2386 18.7841 GPRESSAVG: 3589400 4.47469 19.821 -18.6706 23.3604 5.96915 11.7226 -16.698 14.1262 17.5813 TIMING: 3589400 CPU: 11342.4, 0.00314665/step Wall: 11342.4, 0.00314665/step, 1.23296 hours remaining, 235.914062 MB of memory in use. ENERGY: 3589400 3999.5715 20458.4895 14464.4236 246.4444 -203510.9144 2956.2966 0.0000 0.0000 51974.4634 -109411.2254 298.6980 -161385.6888 -109043.9895 299.1647 293.6890 327.6991 760941.6760 9.1683 9.3417 PRESSURE: 3589600 -311.236 -207.78 -87.8268 -207.78 -15.0852 132.956 -87.8264 132.955 -188.226 GPRESSURE: 3589600 -276.591 -183.208 -83.6678 -159.637 6.85706 95.0147 -242.466 156.134 -147.616 PRESSAVG: 3589600 24.0842 -72.4373 -14.1589 -72.4374 -46.2652 -18.9868 -14.1589 -18.9869 8.08924 GPRESSAVG: 3589600 25.0625 -72.2862 -15.4525 -73.678 -46.6208 -18.9619 -17.4539 -19.7937 7.68759 TIMING: 3589600 CPU: 11343, 0.00314014/step Wall: 11343, 0.00314014/step, 1.23024 hours remaining, 235.914062 MB of memory in use. ENERGY: 3589600 4045.3414 20432.5683 14455.5948 248.6988 -203426.4183 2589.7601 0.0000 0.0000 52218.3822 -109436.0726 300.0998 -161654.4548 -109077.0096 299.0456 -171.5156 -139.1167 760529.7624 -4.6972 -4.6236 PRESSURE: 3589800 264.234 13.2393 -176.519 13.2389 159.124 37.8828 -176.519 37.8837 -95.2077 GPRESSURE: 3589800 228.638 130.861 -187.896 41.1063 202.211 -12.8181 -55.1238 -146.643 -14.1153 PRESSAVG: 3589800 28.9481 -7.89425 21.85 -7.89435 -25.7411 -20.6463 21.85 -20.6464 15.5755 GPRESSAVG: 3589800 28.6351 -5.69648 22.2178 -9.87799 -27.0722 -21.3388 21.0549 -21.016 17.3212 TIMING: 3589800 CPU: 11343.6, 0.00317013/step Wall: 11343.6, 0.00317013/step, 1.24181 hours remaining, 235.914062 MB of memory in use. ENERGY: 3589800 3949.1316 20464.4824 14518.1479 265.9744 -203138.3328 2531.9822 0.0000 0.0000 52004.6654 -109403.9489 298.8715 -161408.6144 -109029.5746 299.2791 109.3835 138.9112 761158.4543 6.2608 6.2947 PRESSURE: 3590000 -195.652 57.4228 -19.4475 57.4224 -129.355 -48.806 -19.4467 -48.806 -546.407 GPRESSURE: 3590000 -195.306 123.43 78.5438 26.8101 -23.9189 14.439 -25.6688 -44.4546 -569.221 PRESSAVG: 3590000 -46.4187 -81.9824 -34.0769 -81.9824 22.9236 -15.1762 -34.0769 -15.1762 6.18852 GPRESSAVG: 3590000 -45.8005 -82.5252 -34.1751 -79.9599 23.2385 -14.9967 -31.5089 -14.8527 5.70999 TIMING: 3590000 CPU: 11344.3, 0.00315335/step Wall: 11344.3, 0.00315335/step, 1.23506 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: 3590000 4033.6182 20565.8170 14438.1382 231.7411 -203080.5838 2363.2009 0.0000 0.0000 52049.0744 -109398.9939 299.1267 -161448.0684 -109034.2039 299.5818 -290.4714 -262.8150 760895.6396 -5.7688 -5.6173 PRESSURE: 3590200 -231.692 295.07 87.3951 295.07 -19.4143 78.4501 87.3963 78.4509 -500.151 GPRESSURE: 3590200 -263.394 157.632 170.4 333.026 1.59907 135.851 -75.0198 113.977 -418.466 PRESSAVG: 3590200 25.2204 5.15431 -19.3882 5.15428 -0.600369 2.13267 -19.3882 2.13266 11.9639 GPRESSAVG: 3590200 26.0239 5.81061 -18.8138 6.0508 0.182623 2.73576 -20.5561 2.49162 10.2712 TIMING: 3590200 CPU: 11344.9, 0.00314556/step Wall: 11344.9, 0.00314556/step, 1.23184 hours remaining, 235.914062 MB of memory in use. ENERGY: 3590200 3979.8870 20627.0453 14480.7891 252.7489 -203041.6912 2396.4044 0.0000 0.0000 52099.5782 -109205.2384 299.4170 -161304.8166 -108840.0653 299.1210 -250.4191 -226.7535 762714.2721 12.1946 12.1592 PRESSURE: 3590400 33.1355 186.271 -134.821 186.272 -313.882 19.9179 -134.821 19.9178 92.0341 GPRESSURE: 3590400 -11.3721 64.3938 -149.992 159.117 -163.224 45.648 -148.306 68.7896 65.6752 PRESSAVG: 3590400 10.0541 -28.8497 -38.7059 -28.8496 -26.4526 -20.8511 -38.7059 -20.8511 -0.89857 GPRESSAVG: 3590400 8.15812 -29.0109 -38.0916 -29.3912 -25.8185 -21.412 -38.4278 -20.3902 0.38244 TIMING: 3590400 CPU: 11345.5, 0.00316064/step Wall: 11345.5, 0.00316064/step, 1.23757 hours remaining, 235.914062 MB of memory in use. ENERGY: 3590400 3986.2423 20616.3993 14425.7614 241.2195 -203040.1519 2378.2831 0.0000 0.0000 52122.5283 -109269.7180 299.5489 -161392.2463 -108910.6737 299.3228 -62.9041 -36.3071 762853.7761 -5.7657 -5.7593 PRESSURE: 3590600 240.715 119.382 38.0338 119.381 -167.017 -14.8496 38.0342 -14.8501 122.351 GPRESSURE: 3590600 277.181 209.292 18.0582 78.4227 -105.571 11.6519 -11.0571 104.457 113.408 PRESSAVG: 3590600 48.5127 13.4923 23.4915 13.4923 -25.4517 7.5099 23.4915 7.5098 -28.4563 GPRESSAVG: 3590600 49.8546 12.0528 22.7723 14.0703 -26.5427 7.69868 22.3757 7.16922 -28.7536 TIMING: 3590600 CPU: 11346.2, 0.00314554/step Wall: 11346.2, 0.00314554/step, 1.23148 hours remaining, 235.914062 MB of memory in use. ENERGY: 3590600 4068.3815 20529.9707 14394.4257 240.4227 -203292.3736 2740.8773 0.0000 0.0000 52047.8820 -109270.4136 299.1199 -161318.2956 -108915.2548 299.2279 65.3494 95.0059 763480.7637 -1.7984 -1.8139 PRESSURE: 3590800 42.1963 73.6921 49.6495 73.6917 165.3 -270.867 49.6492 -270.867 -176.099 GPRESSURE: 3590800 248.255 80.7561 58.8135 -57.8299 113.491 -233.437 39.1464 -165.048 -235.825 PRESSAVG: 3590800 -19.5458 16.3237 10.8615 16.3236 -8.58896 -6.69919 10.8615 -6.69924 -8.82386 GPRESSAVG: 3590800 -20.0803 16.1363 9.75814 14.5576 -7.76477 -6.83799 11.6529 -3.97493 -8.06013 TIMING: 3590800 CPU: 11346.8, 0.0031854/step Wall: 11346.8, 0.0031854/step, 1.24691 hours remaining, 235.914062 MB of memory in use. ENERGY: 3590800 3926.2161 20568.1676 14460.8361 240.6178 -203398.7614 2895.3281 0.0000 0.0000 52127.9182 -109179.6774 299.5799 -161307.5956 -108818.5432 299.1774 10.4655 41.9738 764138.7565 -12.3195 -11.9684 PRESSURE: 3591000 -195.738 29.5909 83.0671 29.5904 -142.441 39.8668 83.0674 39.867 226.577 GPRESSURE: 3591000 -142.236 69.158 131.962 -5.86767 -133.933 112.836 6.90586 58.1936 234.608 PRESSAVG: 3591000 -22.6803 14.1371 14.0782 14.1371 -1.27948 29.2376 14.0781 29.2377 14.7608 GPRESSAVG: 3591000 -22.6582 15.5421 15.6202 14.5472 0.178185 28.8706 14.6241 29.8202 12.823 TIMING: 3591000 CPU: 11347.4, 0.00319278/step Wall: 11347.4, 0.00319278/step, 1.24962 hours remaining, 235.914062 MB of memory in use. ENERGY: 3591000 3962.0853 20424.6366 14415.3913 257.2054 -202778.6662 2445.2447 0.0000 0.0000 51754.7203 -109519.3826 297.4351 -161274.1029 -109153.1842 299.3498 -37.2010 -13.8536 763174.5382 -3.0663 -3.2190 PRESSURE: 3591200 -9.25365 -28.3533 158.585 -28.3527 4.33091 -91.2525 158.585 -91.2531 -92.9994 GPRESSURE: 3591200 -149.14 -49.631 248.401 124.109 127.533 -111.745 94.8483 28.4961 4.92479 PRESSAVG: 3591200 -14.1251 -35.2575 -8.72529 -35.2575 4.83624 62.8351 -8.72532 62.8351 9.63791 GPRESSAVG: 3591200 -13.7251 -33.6703 -9.15005 -34.6695 3.51242 62.6555 -6.92615 60.7171 10.4909 TIMING: 3591200 CPU: 11348.1, 0.00318183/step Wall: 11348.1, 0.00318183/step, 1.24516 hours remaining, 235.914062 MB of memory in use. ENERGY: 3591200 3974.2087 20453.7850 14444.2463 278.4137 -203198.5471 2506.4036 0.0000 0.0000 52181.3325 -109360.1574 299.8868 -161541.4899 -108996.7093 298.8376 -32.6407 -5.5607 761430.6902 0.1163 0.0927 PRESSURE: 3591400 -224.792 59.2702 15.0574 59.2719 -25.6147 154.495 15.0583 154.496 9.21191 GPRESSURE: 3591400 -78.7161 112.928 25.7691 19.8938 -33.9751 73.4474 -48.6359 139.877 -31.9575 PRESSAVG: 3591400 -16.8318 9.06692 18.9842 9.0669 -3.28414 62.2529 18.9841 62.253 9.10042 GPRESSAVG: 3591400 -16.8871 7.15184 19.234 9.89911 -4.42315 62.9485 16.1952 62.7033 9.93183 TIMING: 3591400 CPU: 11348.7, 0.00317895/step Wall: 11348.7, 0.00317895/step, 1.24385 hours remaining, 235.914062 MB of memory in use. ENERGY: 3591400 3970.6369 20384.0938 14558.6545 252.2920 -202993.5015 2426.1720 0.0000 0.0000 52247.4785 -109154.1737 300.2670 -161401.6522 -108786.1240 300.1494 -80.3984 -48.2162 760911.4485 -3.6718 -3.7928 PRESSURE: 3591600 46.0194 24.2967 -102.905 24.2966 83.8904 123.151 -102.907 123.152 322.92 GPRESSURE: 3591600 76.8617 -136.804 -2.08542 2.47723 111.302 60.3451 -194.969 145.472 321.072 PRESSAVG: 3591600 -29.6125 -14.3979 4.03697 -14.3979 16.8431 -10.9642 4.03692 -10.9642 8.78755 GPRESSAVG: 3591600 -29.3673 -12.6691 4.47711 -16.8368 17.033 -11.2371 3.53964 -10.7852 8.56045 TIMING: 3591600 CPU: 11349.3, 0.0031566/step Wall: 11349.3, 0.0031566/step, 1.23493 hours remaining, 235.914062 MB of memory in use. ENERGY: 3591600 3994.9109 20591.0473 14385.0114 235.0671 -203267.8236 2708.3192 0.0000 0.0000 51981.9667 -109371.5011 298.7411 -161353.4678 -109005.5146 299.8297 150.9432 169.7451 760504.3276 -1.3273 -1.2579 PRESSURE: 3591800 -76.7637 -115.559 277.683 -115.558 231.835 -39.7801 277.683 -39.7802 -149.714 GPRESSURE: 3591800 -2.81235 -46.8247 207.069 -97.5239 279.558 5.83125 316.934 -166.598 -159.692 PRESSAVG: 3591800 -39.708 -12.8588 -47.7202 -12.8588 62.8904 -47.2525 -47.7202 -47.2525 27.4123 GPRESSAVG: 3591800 -38.9213 -13.8545 -46.8345 -12.1383 63.5686 -46.1442 -47.8057 -50.1966 26.5434 TIMING: 3591800 CPU: 11350, 0.00318217/step Wall: 11350, 0.00318217/step, 1.24476 hours remaining, 235.914062 MB of memory in use. ENERGY: 3591800 4046.9092 20280.8761 14453.8626 246.5138 -203252.3517 2315.1504 0.0000 0.0000 52554.1823 -109354.8574 302.0296 -161909.0397 -108981.7388 299.6288 1.7856 39.0178 760011.2682 16.8649 17.0636 PRESSURE: 3592000 -171.987 -108.15 -207.992 -108.15 262.957 108.763 -207.991 108.762 179.487 GPRESSURE: 3592000 -158.143 -120.771 -138.47 43.4656 314.305 79.6903 -263.469 147.614 189.46 PRESSAVG: 3592000 31.3095 -10.1463 -9.93051 -10.1462 -22.5983 -20.6431 -9.93053 -20.6431 -6.69702 GPRESSAVG: 3592000 31.4281 -11.0765 -11.3408 -8.74688 -22.4955 -19.7851 -9.80214 -18.3728 -6.35687 TIMING: 3592000 CPU: 11350.6, 0.00315162/step Wall: 11350.6, 0.00315162/step, 1.23263 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: 3592000 3983.9710 20582.0953 14508.2169 254.2541 -203475.6843 2746.7695 0.0000 0.0000 52158.0907 -109242.2867 299.7533 -161400.3774 -108885.8038 299.6599 90.1523 115.2075 760155.3281 0.6714 0.8586 PRESSURE: 3592200 150.098 155.949 -16.972 155.95 -10.3578 74.0102 -16.9713 74.0097 -27.7607 GPRESSURE: 3592200 129.908 176.695 -30.8438 73.3635 82.9369 84.3837 -158.317 -19.9293 -10.8003 PRESSAVG: 3592200 21.3172 22.4997 -10.9943 22.4998 -22.149 -12.6558 -10.9943 -12.6558 -5.6428 GPRESSAVG: 3592200 20.6492 21.7523 -12.0598 20.8489 -20.9235 -13.689 -9.8678 -12.7806 -5.89166 TIMING: 3592200 CPU: 11351.2, 0.00316002/step Wall: 11351.2, 0.00316002/step, 1.23574 hours remaining, 235.914062 MB of memory in use. ENERGY: 3592200 3860.1289 20491.0506 14454.5813 229.6518 -203272.8471 2711.3644 0.0000 0.0000 52089.4625 -109436.6076 299.3589 -161526.0702 -109078.8974 299.8532 37.3264 67.3483 762293.2827 -2.1582 -2.0553 LDB: ============= START OF LOAD BALANCING ============== 11363.8 LDB: ============== END OF LOAD BALANCING =============== 11363.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11363.8 LDB: ============= START OF LOAD BALANCING ============== 11364.1 LDB: Largest compute 7027 load 0.031468 is 16.1% of average load 0.195616 LDB: Average compute 0.004399 is 2.2% of average load 0.195616 LDB: TIME 11364.1 LOAD: AVG 0.195616 MAX 0.215021 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.062 MB LDB: TIME 11364.1 LOAD: AVG 0.195616 MAX 0.215021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.266 MB LDB: TIME 11364.1 LOAD: AVG 0.195616 MAX 0.215021 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.266 MB LDB: ============== END OF LOAD BALANCING =============== 11364.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11364.1 PRESSURE: 3592400 126.406 -206.164 -66.797 -206.164 -9.73577 -108.211 -66.7974 -108.211 92.0152 GPRESSURE: 3592400 230.531 6.65553 -9.70614 -154.488 -34.0089 -156.276 3.30499 -20.3634 94.8273 PRESSAVG: 3592400 -11.7902 -14.4808 -33.4651 -14.4808 38.1883 -22.5608 -33.4652 -22.5608 -13.8991 GPRESSAVG: 3592400 -10.2959 -13.8495 -32.3289 -12.4448 36.9255 -22.3689 -32.7786 -24.4553 -13.975 TIMING: 3592400 CPU: 11351.9, 0.00323747/step Wall: 11351.9, 0.00323747/step, 1.26585 hours remaining, 235.566406 MB of memory in use. ENERGY: 3592400 3956.7933 20555.0842 14478.8372 244.2832 -203116.8857 2522.0411 0.0000 0.0000 51934.8719 -109424.9747 298.4704 -161359.8466 -109063.0819 299.1652 69.5619 97.1164 760979.1510 4.1663 4.2182 PRESSURE: 3592600 -186.429 -5.91967 140.6 -5.92034 133.726 -127.081 140.6 -127.081 -39.1754 GPRESSURE: 3592600 -140.288 2.14981 102.796 63.7614 149.81 -100.656 17.4689 -101.597 -3.10687 PRESSAVG: 3592600 -8.05328 22.9366 -19.6757 22.9366 6.69545 12.2465 -19.6756 12.2466 9.73685 GPRESSAVG: 3592600 -8.66736 21.7902 -19.6235 22.8492 6.47468 11.7404 -21.3588 15.3236 10.9428 TIMING: 3592600 CPU: 11352.5, 0.00315686/step Wall: 11352.5, 0.00315686/step, 1.23416 hours remaining, 235.636719 MB of memory in use. ENERGY: 3592600 3991.0703 20465.0613 14545.6227 275.1169 -203117.8753 2395.6728 0.0000 0.0000 52224.4940 -109220.8373 300.1349 -161445.3313 -108860.4494 299.8485 -30.6261 2.1382 760726.3840 2.7930 2.9167 PRESSURE: 3592800 5.7316 -3.37363 -75.02 -3.37295 -300.274 14.0667 -75.0203 14.0678 61.014 GPRESSURE: 3592800 -22.4881 22.0552 37.7003 98.7089 -225.821 55.5947 -102.805 12.638 98.2592 PRESSAVG: 3592800 30.3683 -4.0103 -4.27033 -4.01025 -4.64598 33.5164 -4.27034 33.5163 28.6828 GPRESSAVG: 3592800 29.8292 -4.25008 -5.03734 -3.43663 -3.53967 32.0308 -2.65692 32.8251 28.3927 TIMING: 3592800 CPU: 11353.1, 0.00314941/step Wall: 11353.1, 0.00314941/step, 1.23107 hours remaining, 235.636719 MB of memory in use. ENERGY: 3592800 3967.9414 20715.8785 14365.5343 252.7070 -202877.7419 2269.1008 0.0000 0.0000 52102.3716 -109204.2083 299.4330 -161306.5799 -108847.3513 300.3578 -77.8428 -50.0165 762835.0388 18.1350 18.2274 PRESSURE: 3593000 -364.516 24.847 -20.2092 24.8475 -385.59 200.417 -20.2091 200.417 -136.643 GPRESSURE: 3593000 -302.928 31.9931 8.91147 58.031 -390.106 164.22 1.00348 256.064 -127.273 PRESSAVG: 3593000 46.3275 40.9574 -8.97878 40.9574 -48.7042 50.588 -8.9788 50.588 19.9861 GPRESSAVG: 3593000 45.7747 39.3484 -8.46059 39.8003 -47.8307 52.8713 -10.549 48.4412 19.8021 TIMING: 3593000 CPU: 11353.8, 0.00315252/step Wall: 11353.8, 0.00315252/step, 1.23211 hours remaining, 235.636719 MB of memory in use. ENERGY: 3593000 4032.8336 20410.5134 14412.2024 240.6266 -202717.0534 2035.9078 0.0000 0.0000 52215.6537 -109369.3159 300.0841 -161584.9697 -109006.7960 299.4531 -295.5829 -273.4356 762184.8460 5.8698 5.9154 PRESSURE: 3593200 79.9387 352.438 -118.69 352.439 191.36 64.8254 -118.689 64.8265 238.607 GPRESSURE: 3593200 105.438 403.373 -24.9017 251.156 189.21 41.0394 -53.8346 -56.5155 279.478 PRESSAVG: 3593200 -6.02095 46.7618 -30.0945 46.7618 21.0727 -20.4943 -30.0945 -20.4943 20.3883 GPRESSAVG: 3593200 -6.66227 49.2843 -29.0798 46.6106 20.9688 -22.6024 -28.857 -19.9889 21.6326 TIMING: 3593200 CPU: 11354.4, 0.00314472/step Wall: 11354.4, 0.00314472/step, 1.22888 hours remaining, 235.722656 MB of memory in use. ENERGY: 3593200 4005.9663 20620.4139 14452.9687 239.5192 -203153.2859 2398.2019 0.0000 0.0000 52101.5683 -109334.6474 299.4284 -161436.2157 -108977.9146 299.4768 169.9685 191.3752 761042.3103 11.8134 11.9797 PRESSURE: 3593400 321.121 143.423 164.817 143.423 276.322 206.277 164.817 206.278 -103.938 GPRESSURE: 3593400 315.149 112.261 195.677 122.175 298.183 155.262 65.0184 142.083 -46.0401 PRESSAVG: 3593400 -39.8627 24.2558 5.82943 24.2557 31.0077 0.839532 5.82944 0.839488 21.8455 GPRESSAVG: 3593400 -38.8837 23.7078 4.96747 25.5946 29.5528 2.70271 5.45947 2.7683 22.3451 TIMING: 3593400 CPU: 11355, 0.00313726/step Wall: 11355, 0.00313726/step, 1.2258 hours remaining, 235.722656 MB of memory in use. ENERGY: 3593400 3930.9815 20512.7968 14517.0562 272.0349 -203598.6516 2799.8171 0.0000 0.0000 52182.7951 -109383.1700 299.8952 -161565.9651 -109025.8660 299.7670 164.5017 189.0973 760813.7490 4.3301 4.3381 PRESSURE: 3593600 -219.265 -80.856 142.251 -80.8545 -214.54 90.7024 142.252 90.7031 -155.346 GPRESSURE: 3593600 -204.385 -86.1163 142.219 -7.03601 -134.471 89.7553 183.488 80.5836 -148.399 PRESSAVG: 3593600 -34.9564 44.1145 8.17957 44.1146 -4.64605 24.065 8.17959 24.065 27.637 GPRESSAVG: 3593600 -35.8739 43.56 8.33951 43.988 -2.99647 23.3526 9.33741 24.0733 27.0688 TIMING: 3593600 CPU: 11355.7, 0.00314155/step Wall: 11355.7, 0.00314155/step, 1.2273 hours remaining, 235.722656 MB of memory in use. ENERGY: 3593600 3911.3642 20488.8587 14470.4867 238.3977 -202994.8416 2512.9862 0.0000 0.0000 51971.8299 -109400.9183 298.6828 -161372.7481 -109032.2194 299.2263 -196.3839 -162.4180 762649.3894 -3.9885 -3.9339 PRESSURE: 3593800 -36.5002 -88.2968 -37.2372 -88.2965 -262.192 121.557 -37.2373 121.557 -298.77 GPRESSURE: 3593800 -53.1491 -169.176 19.4684 -119.916 -233.425 79.553 -88.0203 160.195 -211.197 PRESSAVG: 3593800 -27.0977 -1.62421 31.4279 -1.62425 26.4101 4.75377 31.4279 4.75386 -17.5207 GPRESSAVG: 3593800 -25.174 -1.05562 32.2388 -3.14304 25.1481 4.55598 30.909 3.0072 -17.9872 TIMING: 3593800 CPU: 11356.3, 0.00313918/step Wall: 11356.3, 0.00313918/step, 1.2262 hours remaining, 235.722656 MB of memory in use. ENERGY: 3593800 4041.9612 20578.9529 14358.2960 216.4466 -203201.2945 2543.2564 0.0000 0.0000 52021.0640 -109441.3174 298.9658 -161462.3814 -109090.5108 298.9707 -199.1542 -165.9238 761727.6035 -6.0694 -6.0044 PRESSURE: 3594000 41.8087 -127.102 189.558 -127.102 -188.73 -106.144 189.558 -106.145 -262.752 GPRESSURE: 3594000 150.431 -73.8829 206.606 -0.932832 -230.424 -168.133 196.772 -229.77 -251.282 PRESSAVG: 3594000 60.7646 -16.3165 -24.8799 -16.3164 -55.6443 33.6717 -24.8799 33.6717 -12.6438 GPRESSAVG: 3594000 59.9844 -16.2295 -26.014 -16.2554 -56.0523 35.951 -26.6756 32.8693 -11.2924 TIMING: 3594000 CPU: 11356.9, 0.00314056/step Wall: 11356.9, 0.00314056/step, 1.22656 hours remaining, 235.722656 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: 3594000 3891.3681 20477.8956 14523.2497 265.0153 -202939.9006 2427.0574 0.0000 0.0000 51955.5777 -109399.7368 298.5894 -161355.3145 -109039.7196 299.0966 -136.5580 -110.4247 760576.2167 -2.5078 -2.4535 PRESSURE: 3594200 137.287 -60.595 99.8596 -60.5953 -106.645 44.5929 99.8594 44.594 -73.39 GPRESSURE: 3594200 45.4509 -55.4376 73.0811 -85.3039 -37.632 59.5996 226.771 132.308 7.86362 PRESSAVG: 3594200 20.3276 15.355 -26.5453 15.3549 -35.7424 51.6174 -26.5453 51.6174 18.613 GPRESSAVG: 3594200 19.9921 15.1262 -25.3516 17.543 -33.7853 49.38 -26.9368 53.1092 17.3335 TIMING: 3594200 CPU: 11357.6, 0.0031543/step Wall: 11357.6, 0.0031543/step, 1.23175 hours remaining, 235.722656 MB of memory in use. ENERGY: 3594200 4027.0683 20522.8795 14406.9612 265.6221 -203460.0541 2571.8004 0.0000 0.0000 52132.1814 -109533.5410 299.6044 -161665.7225 -109182.0434 299.2719 -14.2493 5.2275 760630.1250 1.0661 1.1801 PRESSURE: 3594400 -265.066 105.391 45.8369 105.39 -139.05 -78.8957 45.8359 -78.8958 -75.4659 GPRESSURE: 3594400 -210.622 149.222 -27.7757 17.5878 -161.685 -39.4485 103.967 -121.698 -11.4272 PRESSAVG: 3594400 23.8423 -32.5726 11.791 -32.5726 -30.4465 27.6255 11.7909 27.6255 -5.93272 GPRESSAVG: 3594400 24.7492 -31.766 9.00661 -34.4234 -31.825 28.7368 11.8717 27.2169 -5.12856 TIMING: 3594400 CPU: 11358.2, 0.00313951/step Wall: 11358.2, 0.00313951/step, 1.2258 hours remaining, 235.722656 MB of memory in use. ENERGY: 3594400 4070.1675 20355.6478 14393.6455 255.4856 -203569.1563 2513.5371 0.0000 0.0000 52086.7746 -109893.8984 299.3434 -161980.6729 -109533.0277 298.6400 -159.8608 -127.9115 760991.5129 -4.1790 -4.0681 PRESSURE: 3594600 -69.9848 140.338 -52.9135 140.338 -8.14266 137.12 -52.9137 137.12 -317.167 GPRESSURE: 3594600 -75.3696 231.405 -194.879 117.815 81.6523 76.7851 -14.8619 59.0504 -298.23 PRESSAVG: 3594600 -12.1332 11.2113 31.972 11.2113 38.7118 41.2287 31.972 41.2287 19.8667 GPRESSAVG: 3594600 -11.963 10.7641 33.0678 12.3486 39.3231 41.2378 34.2439 40.2339 19.3512 TIMING: 3594600 CPU: 11358.8, 0.00315711/step Wall: 11358.8, 0.00315711/step, 1.2325 hours remaining, 235.710938 MB of memory in use. ENERGY: 3594600 3965.5689 20312.7815 14439.3109 239.6049 -203293.9237 2399.3298 0.0000 0.0000 51953.0470 -109984.2808 298.5749 -161937.3278 -109624.9656 298.3199 -131.7649 -97.3158 760269.6810 15.4818 15.5704 PRESSURE: 3594800 10.8597 -13.1239 196.631 -13.1233 320.655 55.9453 196.631 55.9442 -371.601 GPRESSURE: 3594800 136.122 -12.5293 214.416 44.5486 252.069 -1.11239 159.101 -104.222 -326.357 PRESSAVG: 3594800 38.0885 71.0582 43.4488 71.0582 -37.5405 13.2314 43.4488 13.2314 33.9811 GPRESSAVG: 3594800 37.8566 70.9529 43.1651 70.3435 -38.3453 12.2764 41.4739 14.8018 34.369 TIMING: 3594800 CPU: 11359.4, 0.00314497/step Wall: 11359.4, 0.00314497/step, 1.22759 hours remaining, 235.710938 MB of memory in use. ENERGY: 3594800 3911.8865 20387.6168 14482.0103 234.5262 -203480.7638 2538.6202 0.0000 0.0000 51900.7346 -110025.3691 298.2742 -161926.1037 -109672.6548 298.0979 -13.3621 20.6115 759745.4278 11.5097 11.2934 PRESSURE: 3595000 -548.129 78.1359 77.6246 78.1373 -101.948 103.434 77.6239 103.435 -326.351 GPRESSURE: 3595000 -497.429 141.344 76.9684 40.2441 -147.385 199.612 49.7204 194.382 -252.558 PRESSAVG: 3595000 42.6347 25.107 11.4705 25.107 11.0816 34.273 11.4705 34.2731 -8.92893 GPRESSAVG: 3595000 43.073 23.8031 12.9129 25.8177 11.8629 33.9396 11.8264 34.5309 -9.88215 TIMING: 3595000 CPU: 11360.1, 0.00313932/step Wall: 11360.1, 0.00313932/step, 1.22521 hours remaining, 235.722656 MB of memory in use. ENERGY: 3595000 4020.5701 20355.2180 14512.9701 237.1401 -203308.4819 2159.5545 0.0000 0.0000 51972.7993 -110050.2297 298.6884 -162023.0290 -109691.3914 298.1916 -325.4757 -299.1238 760478.2365 14.9292 15.0179 PRESSURE: 3595200 224.629 42.3089 155.334 42.3093 -34.0536 346.152 155.336 346.152 -272.832 GPRESSURE: 3595200 186.147 7.40691 175.09 -51.6739 25.8939 295.381 249.251 335.796 -199.812 PRESSAVG: 3595200 20.1924 -22.7733 -20.091 -22.7734 -6.89192 33.394 -20.0908 33.3941 23.4914 GPRESSAVG: 3595200 19.7882 -21.6274 -20.9757 -23.7548 -6.99206 34.4721 -19.1766 33.2566 23.7653 TIMING: 3595200 CPU: 11360.7, 0.00314485/step Wall: 11360.7, 0.00314485/step, 1.22719 hours remaining, 235.722656 MB of memory in use. ENERGY: 3595200 4010.8690 20294.0799 14506.6968 256.1829 -203693.4981 2602.4643 0.0000 0.0000 51961.7053 -110061.4999 298.6246 -162023.2052 -109704.8170 297.9564 -27.4188 4.0762 759644.3581 12.2640 12.1872 PRESSURE: 3595400 30.9366 192.266 -7.92284 192.266 -68.9131 10.0033 -7.92281 10.0042 -80.5709 GPRESSURE: 3595400 -44.7111 151.244 -18.663 271.564 63.2042 -44.1195 13.512 23.4322 -46.6882 PRESSAVG: 3595400 -6.76035 39.9219 -14.1189 39.9219 21.3071 6.03623 -14.1189 6.0362 -14.7643 GPRESSAVG: 3595400 -7.63277 40.6445 -12.7947 41.1262 22.242 6.8756 -16.7913 5.15265 -14.6205 TIMING: 3595400 CPU: 11361.3, 0.00314589/step Wall: 11361.3, 0.00314589/step, 1.22742 hours remaining, 235.710938 MB of memory in use. ENERGY: 3595400 4037.1834 20540.5271 14434.0406 244.5717 -203669.2004 2816.6151 0.0000 0.0000 51702.8957 -109893.3667 297.1373 -161596.2624 -109540.4486 297.9020 -39.5158 -9.3984 761577.1954 -0.0725 -0.0038 PRESSURE: 3595600 329.326 -150.927 -204.059 -150.926 154.263 -274.377 -204.058 -274.378 215.346 GPRESSURE: 3595600 270.235 -145.259 -235.841 -78.5062 268.936 -217.59 -10.8611 -122.916 251.503 PRESSAVG: 3595600 63.2286 9.32747 -3.72984 9.32747 -74.1084 -5.09146 -3.72987 -5.09148 12.6931 GPRESSAVG: 3595600 63.7558 9.53028 -5.65937 9.72291 -75.0794 -7.29111 0.950485 -4.2212 13.8152 TIMING: 3595600 CPU: 11362, 0.00315932/step Wall: 11362, 0.00315932/step, 1.23248 hours remaining, 235.710938 MB of memory in use. ENERGY: 3595600 3992.0645 20271.1762 14456.6621 254.6227 -203689.0984 2727.2969 0.0000 0.0000 52175.2289 -109812.0471 299.8518 -161987.2760 -109456.4725 298.7513 232.9785 263.5581 759275.1818 0.6044 0.8305 PRESSURE: 3595800 -370.276 189.556 24.6773 189.555 43.0886 193.425 24.6776 193.426 -159.075 GPRESSURE: 3595800 -264.259 234.513 -82.9903 252.106 -11.0746 208.13 13.2085 149.276 -133.123 PRESSAVG: 3595800 -4.64474 18.0644 -53.4216 18.0644 22.2817 8.91956 -53.4216 8.91954 9.69678 GPRESSAVG: 3595800 -3.81546 17.6919 -52.2311 16.6761 22.4764 10.7629 -54.4313 6.05115 8.64365 TIMING: 3595800 CPU: 11362.6, 0.00314809/step Wall: 11362.6, 0.00314809/step, 1.22793 hours remaining, 235.710938 MB of memory in use. ENERGY: 3595800 4002.6188 20412.5266 14425.5000 253.8683 -203485.6697 2522.1717 0.0000 0.0000 52031.5850 -109837.3994 299.0262 -161868.9844 -109468.8023 298.9098 -162.0875 -136.1522 761629.8383 9.1112 9.1015 PRESSURE: 3596000 -19.0974 68.1575 -124.542 68.1568 281.363 -65.0696 -124.543 -65.0693 173.241 GPRESSURE: 3596000 72.5674 94.7522 -86.8348 110.782 179.682 -70.4343 -78.944 60.6352 265.677 PRESSAVG: 3596000 18.2906 -2.46588 17.1734 -2.46581 -5.00751 18.9521 17.1733 18.9521 -7.69902 GPRESSAVG: 3596000 18.9523 -2.39595 16.4811 -2.06392 -5.97307 18.8721 16.3505 19.0851 -6.74614 TIMING: 3596000 CPU: 11363.2, 0.00316814/step Wall: 11363.2, 0.00316814/step, 1.23558 hours remaining, 235.722656 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: 3596000 3875.8932 20400.0490 14464.5100 246.1179 -203420.2002 2786.2394 0.0000 0.0000 52056.1518 -109591.2389 299.1674 -161647.3907 -109215.1063 298.8053 145.1688 172.6421 763263.2955 1.8613 2.0777 PRESSURE: 3596200 97.4027 -264.309 187.102 -264.309 -160.741 127.779 187.102 127.779 32.5684 GPRESSURE: 3596200 207.377 -288.358 68.3127 -254.152 -113.947 27.162 84.4483 123.331 -70.442 PRESSAVG: 3596200 -27.6535 -19.581 16.2872 -19.5809 21.317 -9.69519 16.2871 -9.69519 27.1933 GPRESSAVG: 3596200 -28.8347 -20.8308 18.5936 -17.5584 22.2741 -9.63892 14.6825 -8.13911 27.1631 TIMING: 3596200 CPU: 11363.9, 0.00315994/step Wall: 11363.9, 0.00315994/step, 1.2322 hours remaining, 235.722656 MB of memory in use. ENERGY: 3596200 3978.6295 20486.3310 14535.4717 231.9764 -202920.7504 2195.4113 0.0000 0.0000 52441.5222 -109051.4084 301.3821 -161492.9305 -108684.3178 299.8596 -10.2566 7.6628 761019.4349 6.9523 6.8675 LDB: ============= START OF LOAD BALANCING ============== 11376.4 LDB: ============== END OF LOAD BALANCING =============== 11376.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11376.4 LDB: ============= START OF LOAD BALANCING ============== 11376.7 LDB: Largest compute 7027 load 0.033117 is 16.9% of average load 0.195666 LDB: Average compute 0.004371 is 2.2% of average load 0.195666 LDB: TIME 11376.7 LOAD: AVG 0.195666 MAX 0.21745 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 11376.7 LOAD: AVG 0.195666 MAX 0.21745 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 11376.7 LOAD: AVG 0.195666 MAX 0.21745 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 11376.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11376.7 PRESSURE: 3596400 168.96 -218.805 -106.022 -218.806 245.828 -148.834 -106.022 -148.833 537.068 GPRESSURE: 3596400 165.384 -222.488 -80.5003 -268.675 324.056 -204.989 -84.176 -169.405 555.726 PRESSAVG: 3596400 6.6761 19.4851 -50.5542 19.4851 -12.2983 -30.6065 -50.5542 -30.6065 -2.26674 GPRESSAVG: 3596400 5.61945 19.49 -52.2497 17.1131 -11.8126 -31.8436 -48.3054 -30.962 -2.02348 TIMING: 3596400 CPU: 11364.5, 0.00324283/step Wall: 11364.5, 0.00324283/step, 1.26434 hours remaining, 234.101562 MB of memory in use. ENERGY: 3596400 3988.8271 20455.5101 14487.1155 242.6614 -202904.0242 2636.4459 0.0000 0.0000 52127.5803 -108965.8838 299.5779 -161093.4641 -108601.5143 300.5908 317.2856 348.3888 761720.3301 -2.6296 -2.7389 PRESSURE: 3596600 -413.226 35.3831 37.5771 35.3829 -429.157 146.178 37.5778 146.179 -205.178 GPRESSURE: 3596600 -378.201 105.134 35.0532 -72.9204 -300.672 184.078 74.6906 189.005 -265.481 PRESSAVG: 3596600 63.1112 4.21964 0.68509 4.21962 0.32745 -31.2672 0.685144 -31.2671 12.0333 GPRESSAVG: 3596600 64.0345 5.43917 0.453046 4.3668 -0.384519 -31.4852 2.29673 -29.8307 12.0279 TIMING: 3596600 CPU: 11365.1, 0.00314499/step Wall: 11365.1, 0.00314499/step, 1.22602 hours remaining, 234.101562 MB of memory in use. ENERGY: 3596600 3900.5771 20389.6692 14463.5349 234.1730 -202693.4087 2170.2947 0.0000 0.0000 52221.5183 -109313.6416 300.1178 -161535.1598 -108943.9859 300.0017 -349.1868 -314.7845 762386.4417 25.1573 25.2260 PRESSURE: 3596800 -292.707 -168.108 -109.797 -168.109 31.0536 11.3973 -109.797 11.3967 -367.152 GPRESSURE: 3596800 -206.95 -152.879 -185.897 -199.684 -51.9389 5.44376 -8.86257 2.58301 -275.88 PRESSAVG: 3596800 19.7962 27.7661 3.90327 27.766 -39.7288 -19.0209 3.90327 -19.0208 -2.87131 GPRESSAVG: 3596800 20.7075 27.3448 4.53381 26.6129 -39.6082 -17.4056 0.326497 -21.9863 -3.3398 TIMING: 3596800 CPU: 11365.8, 0.00313722/step Wall: 11365.8, 0.00313722/step, 1.22282 hours remaining, 234.156250 MB of memory in use. ENERGY: 3596800 4047.9796 20622.2850 14460.0700 247.7064 -203367.1562 2683.3458 0.0000 0.0000 52017.9139 -109287.8555 298.9477 -161305.7695 -108938.5234 299.8725 -209.6018 -178.2563 761826.8646 -7.6013 -7.4135 PRESSURE: 3597000 317.221 -324.369 53.6075 -324.37 -39.9731 -81.6225 53.6083 -81.6227 264.042 GPRESSURE: 3597000 333.604 -222.185 -13.4009 -373.413 2.69095 -117.817 58.3723 -15.2633 284.353 PRESSAVG: 3597000 -34.8328 60.8902 -22.1282 60.8902 6.16875 -5.71753 -22.1282 -5.71759 3.17031 GPRESSAVG: 3597000 -35.1336 60.1846 -22.3568 63.1551 5.57106 -7.44683 -22.2722 -4.23048 3.5416 TIMING: 3597000 CPU: 11366.4, 0.00316056/step Wall: 11366.4, 0.00316056/step, 1.23174 hours remaining, 234.277344 MB of memory in use. ENERGY: 3597000 3970.4459 20480.3086 14463.1057 244.6792 -203404.0931 2718.7489 0.0000 0.0000 52380.6006 -109146.2042 301.0320 -161526.8048 -108777.5182 300.4951 180.4301 206.8827 761052.5436 -8.4979 -8.6737 PRESSURE: 3597200 -233.648 20.9943 -93.7385 20.9939 -49.7141 93.0895 -93.7381 93.09 98.717 GPRESSURE: 3597200 -76.1632 -22.6272 -85.9788 54.0844 -106.817 20.8018 5.65737 111.59 95.4114 PRESSAVG: 3597200 5.43459 -20.3937 -21.2996 -20.3937 9.94716 39.3709 -21.2996 39.3709 -9.24638 GPRESSAVG: 3597200 6.32435 -19.5355 -20.9165 -21.0542 10.1935 40.2395 -18.8614 40.2182 -10.1077 TIMING: 3597200 CPU: 11367, 0.00315733/step Wall: 11367, 0.00315733/step, 1.23031 hours remaining, 234.277344 MB of memory in use. ENERGY: 3597200 4015.0098 20645.4690 14394.5058 237.5869 -202904.0570 2070.2117 0.0000 0.0000 52228.1865 -109313.0874 300.1561 -161541.2739 -108946.5358 300.4923 -61.5483 -29.1897 759844.3894 2.0451 2.1367 PRESSURE: 3597400 -29.4523 125.278 -38.1947 125.278 -133.861 115.33 -38.1947 115.33 -64.8009 GPRESSURE: 3597400 15.2254 156.565 -74.9758 160.684 -64.041 105.967 2.53706 68.8797 -82.8797 PRESSAVG: 3597400 56.1104 83.6886 -50.9466 83.6886 -50.9377 -9.62025 -50.9466 -9.62023 13.1968 GPRESSAVG: 3597400 54.1648 82.441 -50.842 83.2632 -50.0467 -11.2369 -52.6075 -10.7463 14.2831 TIMING: 3597400 CPU: 11367.6, 0.00314893/step Wall: 11367.6, 0.00314893/step, 1.22686 hours remaining, 234.292969 MB of memory in use. ENERGY: 3597400 3971.8501 20498.1268 14545.7689 241.8644 -203155.3470 2402.5487 0.0000 0.0000 52313.1570 -109182.0313 300.6444 -161495.1883 -108810.5544 300.1683 -76.0380 -43.8984 761713.3018 6.1232 6.1338 PRESSURE: 3597600 199.631 -122.578 -160.067 -122.579 111.49 82.9207 -160.067 82.9203 41.0543 GPRESSURE: 3597600 216.884 -28.4883 -187.298 -211.324 118.739 -27.0428 -29.7946 109.238 109.193 PRESSAVG: 3597600 -8.00756 -26.2819 -2.74581 -26.2819 -52.6522 39.8618 -2.74585 39.8617 -17.6819 GPRESSAVG: 3597600 -6.86636 -26.0829 -1.53188 -26.7495 -54.3254 41.0836 -2.26931 41.1416 -16.9177 TIMING: 3597600 CPU: 11368.3, 0.00315396/step Wall: 11368.3, 0.00315396/step, 1.22864 hours remaining, 234.292969 MB of memory in use. ENERGY: 3597600 4022.7721 20633.3634 14489.1583 234.9662 -203605.7894 2800.9912 0.0000 0.0000 52134.1402 -109290.3980 299.6156 -161424.5382 -108935.5077 300.1542 117.3919 148.2722 760067.7698 -26.1139 -26.0365 PRESSURE: 3597800 303.871 228.949 136.155 228.949 14.0308 -159.702 136.155 -159.703 185.461 GPRESSURE: 3597800 356.105 293.89 148.062 175.913 89.9314 -169.598 145.223 -106.093 133.695 PRESSAVG: 3597800 14.0105 25.9683 -44.0287 25.9683 2.68426 -24.9935 -44.0286 -24.9935 13.9209 GPRESSAVG: 3597800 13.4612 25.8704 -45.0727 27.605 3.56289 -24.9892 -45.3294 -24.3505 13.5264 TIMING: 3597800 CPU: 11368.9, 0.00314633/step Wall: 11368.9, 0.00314633/step, 1.22549 hours remaining, 234.292969 MB of memory in use. ENERGY: 3597800 4031.6425 20498.1525 14451.1568 229.0370 -203335.9775 2662.4489 0.0000 0.0000 52134.1609 -109329.3790 299.6157 -161463.5398 -108953.9795 299.8500 167.7877 193.2437 760448.8731 10.2052 10.1835 PRESSURE: 3598000 -219.771 74.1831 95.561 74.1834 80.4071 120.528 95.5599 120.529 -40.7912 GPRESSURE: 3598000 -93.5935 143.106 135.926 64.4086 67.8759 93.8224 22.3464 76.1836 -51.9564 PRESSAVG: 3598000 14.2771 11.6033 -0.339317 11.6033 43.7369 -43.2731 -0.339334 -43.2732 17.3003 GPRESSAVG: 3598000 14.6304 12.4226 -1.18191 11.1712 43.8766 -44.7514 0.564953 -43.6853 16.6525 TIMING: 3598000 CPU: 11369.5, 0.00317353/step Wall: 11369.5, 0.00317353/step, 1.23591 hours remaining, 234.292969 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: 3598000 4079.4595 20396.0027 14393.4321 256.5432 -203611.8627 2581.5870 0.0000 0.0000 52548.4559 -109356.3823 301.9967 -161904.8382 -108989.5801 300.2854 -60.0516 -25.8913 761354.3921 25.1048 25.0532 PRESSURE: 3598200 304.57 277.826 -4.96783 277.826 37.3541 53.3755 -4.96694 53.376 -8.73063 GPRESSURE: 3598200 306.358 330.308 59.3808 145.598 72.532 10.1186 -20.0825 47.0412 29.9636 PRESSAVG: 3598200 -1.64216 -30.5205 -15.2658 -30.5205 -13.7618 -74.9588 -15.2658 -74.9587 -15.0882 GPRESSAVG: 3598200 -3.2657 -30.6046 -13.3303 -30.886 -12.6855 -74.1962 -16.0907 -73.9225 -14.7052 TIMING: 3598200 CPU: 11370.2, 0.00314586/step Wall: 11370.2, 0.00314586/step, 1.22496 hours remaining, 234.292969 MB of memory in use. ENERGY: 3598200 3848.4258 20413.8263 14430.0606 254.5701 -203229.6080 2554.4133 0.0000 0.0000 52333.8115 -109394.5003 300.7631 -161728.3118 -109026.0138 300.0918 111.0645 136.2846 761298.4386 -10.1641 -10.2188 PRESSURE: 3598400 297.783 116.922 -215.043 116.922 -211.571 -52.961 -215.044 -52.9613 10.1567 GPRESSURE: 3598400 341.231 149.849 -179.098 -12.7527 -165.7 -70.5986 -89.1957 12.3584 0.664867 PRESSAVG: 3598400 -3.92159 40.5868 -27.949 40.5868 -26.9092 21.8451 -27.9489 21.845 5.09868 GPRESSAVG: 3598400 -1.45187 39.8341 -29.1284 40.8222 -28.6985 21.6681 -25.9405 20.963 5.27875 TIMING: 3598400 CPU: 11370.8, 0.00313995/step Wall: 11370.8, 0.00313995/step, 1.22249 hours remaining, 234.292969 MB of memory in use. ENERGY: 3598400 3958.9607 20499.2331 14465.7040 246.0376 -203295.9687 2627.1276 0.0000 0.0000 51991.2929 -109507.6128 298.7947 -161498.9057 -109137.9293 299.2580 32.1226 58.7321 761722.2193 -8.5774 -8.2905 PRESSURE: 3598600 -110.645 -2.49925 -123.34 -2.4995 14.3285 -217.442 -123.339 -217.442 369.267 GPRESSURE: 3598600 8.23956 -3.58664 -195.389 -14.1568 19.2746 -157.068 49.6241 -261.629 324.262 PRESSAVG: 3598600 48.5324 26.0308 -1.7376 26.0309 -40.5614 3.52417 -1.73756 3.52424 11.5676 GPRESSAVG: 3598600 47.4491 26.8115 -2.5233 26.1484 -39.3032 5.17902 -3.6 2.22906 10.4591 TIMING: 3598600 CPU: 11371.4, 0.00313328/step Wall: 11371.4, 0.00313328/step, 1.21972 hours remaining, 234.292969 MB of memory in use. ENERGY: 3598600 4004.9071 20475.9009 14443.4884 245.0199 -203131.0587 2417.2238 0.0000 0.0000 52138.1163 -109406.4022 299.6385 -161544.5185 -109052.7856 299.4155 90.9836 117.2588 761200.0493 6.5128 6.2017 PRESSURE: 3598800 9.46629 -63.3665 -188.555 -63.3667 -243.188 146.743 -188.555 146.743 182.488 GPRESSURE: 3598800 34.8826 -103.118 -219.104 -72.6705 -194.527 153.369 -227.563 69.0561 181.178 PRESSAVG: 3598800 16.0178 14.67 -59.8192 14.67 -75.9375 43.1557 -59.8192 43.1557 14.7307 GPRESSAVG: 3598800 15.2994 15.2961 -60.0727 13.7075 -76.196 41.3359 -58.4501 43.3675 15.1752 TIMING: 3598800 CPU: 11372.1, 0.00316005/step Wall: 11372.1, 0.00316005/step, 1.22996 hours remaining, 234.292969 MB of memory in use. ENERGY: 3598800 3936.4107 20502.1418 14476.7835 260.2712 -203146.9369 2698.3195 0.0000 0.0000 51882.1275 -109390.8827 298.1673 -161273.0103 -109028.0825 299.3971 -17.0776 7.1779 761501.6629 -15.0630 -15.2405 PRESSURE: 3599000 -349.135 58.5556 28.9199 58.5554 126.281 234.541 28.9203 234.542 -427.796 GPRESSURE: 3599000 -230.895 30.0328 1.97053 69.7194 52.1574 276.044 29.0468 186.2 -388.961 PRESSAVG: 3599000 37.0809 3.58235 -18.5443 3.58237 -9.67027 -2.80574 -18.5443 -2.80571 -12.6245 GPRESSAVG: 3599000 37.842 2.4146 -17.3047 5.27301 -11.7278 -0.496646 -19.0819 -2.96026 -11.6523 TIMING: 3599000 CPU: 11372.7, 0.00315393/step Wall: 11372.7, 0.00315393/step, 1.2274 hours remaining, 234.292969 MB of memory in use. ENERGY: 3599000 4082.7006 20349.9037 14434.6609 269.7965 -203576.2913 2634.7812 0.0000 0.0000 52208.8049 -109595.6435 300.0447 -161804.4484 -109232.3010 298.9936 -216.8835 -189.2329 762298.1281 4.9287 4.8206 PRESSURE: 3599200 58.4272 56.4882 22.3764 56.4887 -376.05 -17.3161 22.3771 -17.3165 -327.261 GPRESSURE: 3599200 72.1839 112.151 51.7806 -21.7527 -378.377 -54.7304 50.3035 -115.802 -268.229 PRESSAVG: 3599200 68.4981 44.7681 -56.1971 44.7681 1.04566 5.51154 -56.1971 5.51161 -9.26628 GPRESSAVG: 3599200 67.868 45.2998 -55.2111 42.5209 1.93859 3.48375 -56.5446 4.61769 -8.90778 TIMING: 3599200 CPU: 11373.3, 0.00316379/step Wall: 11373.3, 0.00316379/step, 1.23107 hours remaining, 234.292969 MB of memory in use. ENERGY: 3599200 4009.4340 20453.0138 14481.4899 239.4970 -203300.6323 2515.7827 0.0000 0.0000 51966.8687 -109634.5463 298.6543 -161601.4150 -109268.5470 299.0783 -214.9613 -191.4740 761565.4056 20.0925 20.2996 PRESSURE: 3599400 -349.229 -35.2493 -96.1394 -35.2489 -4.96023 -86.7432 -96.1391 -86.7436 24.3188 GPRESSURE: 3599400 -267.502 41.2473 -87.41 -12.201 -7.19937 -4.44772 -15.0175 21.6331 37.2076 PRESSAVG: 3599400 6.56261 15.2458 -55.721 15.2459 -20.7504 47.9376 -55.721 47.9376 -21.1635 GPRESSAVG: 3599400 6.6992 14.6748 -56.8525 16.6491 -20.6382 47.9669 -54.2108 50.7913 -21.7625 TIMING: 3599400 CPU: 11374, 0.00315491/step Wall: 11374, 0.00315492/step, 1.22744 hours remaining, 234.292969 MB of memory in use. ENERGY: 3599400 3947.5136 20453.8478 14510.0703 214.5803 -203365.8941 2566.4044 0.0000 0.0000 52156.6018 -109516.8758 299.7447 -161673.4776 -109151.7000 298.7088 -109.9568 -79.1645 762111.0585 -11.7838 -11.9005 PRESSURE: 3599600 -9.07951 -149.9 -126.966 -149.9 -54.0871 175.456 -126.966 175.457 182.541 GPRESSURE: 3599600 91.933 -26.8454 -156.766 -41.6243 -48.3353 161.019 -148.178 111.571 185.762 PRESSAVG: 3599600 -23.8029 -10.3003 -35.0697 -10.3003 -1.36666 26.3599 -35.0697 26.36 15.8229 GPRESSAVG: 3599600 -22.2203 -8.72407 -34.8314 -10.3388 -3.00444 28.2395 -35.2166 24.2795 15.8446 TIMING: 3599600 CPU: 11374.6, 0.00315125/step Wall: 11374.6, 0.00315125/step, 1.22584 hours remaining, 234.292969 MB of memory in use. ENERGY: 3599600 3949.7210 20308.5192 14507.8809 263.2572 -203135.0490 2666.1081 0.0000 0.0000 51831.4388 -109608.1238 297.8760 -161439.5626 -109249.6540 299.1183 39.7914 76.4533 761341.5824 -3.1156 -3.1267 PRESSURE: 3599800 100.214 46.543 -190.827 46.5431 -106.74 180.506 -190.826 180.506 226.914 GPRESSURE: 3599800 160.206 101.855 -176.316 -48.7871 -34.6049 178.874 -115.392 135.63 183.107 PRESSAVG: 3599800 -30.5794 -33.8438 -40.9266 -33.8438 14.4728 10.7823 -40.9265 10.7823 -20.4053 GPRESSAVG: 3599800 -31.5341 -34.1058 -41.7547 -33.8862 15.1676 7.77733 -41.5805 9.49525 -19.7208 TIMING: 3599800 CPU: 11375.2, 0.0031499/step Wall: 11375.2, 0.0031499/step, 1.22514 hours remaining, 234.292969 MB of memory in use. ENERGY: 3599800 3982.0205 20604.0770 14416.3250 237.7437 -203434.9607 2512.2106 0.0000 0.0000 52159.3882 -109523.1957 299.7607 -161682.5839 -109165.8075 299.1037 73.4626 102.9026 759549.1636 -12.1706 -12.0291 PRESSURE: 3600000 238.776 -7.98293 11.8749 -7.98252 -121.03 193.129 11.8755 193.128 -567.613 GPRESSURE: 3600000 275.952 -74.2884 77.7508 -111.008 -135.891 185.829 -33.8667 255.444 -498.901 PRESSAVG: 3600000 80.253 -43.8604 -55.9077 -43.8604 -63.7557 33.5373 -55.9077 33.5373 6.94917 GPRESSAVG: 3600000 80.5584 -44.2431 -53.9353 -44.7078 -63.1128 33.7941 -56.5682 33.5424 6.33304 TIMING: 3600000 CPU: 11375.8, 0.00314167/step Wall: 11375.8, 0.00314167/step, 1.22176 hours remaining, 234.292969 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: 3600000 4025.0269 20388.4306 14473.3172 235.1871 -203384.0961 2553.0190 0.0000 0.0000 52016.1043 -109693.0111 298.9373 -161709.1154 -109316.4857 299.8938 -149.9558 -119.6131 760399.0734 7.8155 7.9262 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.1.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 -56.4471 -19.1521 47.6895 -19.152 144.818 135.002 47.6899 135.002 299.968 GPRESSURE: 3600200 -86.6305 -48.0589 77.904 17.5558 174.686 34.1922 -40.3471 148.346 381.207 PRESSAVG: 3600200 6.53885 10.5996 20.3897 10.5996 -4.32853 8.44564 20.3897 8.44568 1.25691 GPRESSAVG: 3600200 6.00869 11.6965 19.1184 12.1387 -2.79967 9.84608 18.6508 9.19356 -0.218546 TIMING: 3600200 CPU: 11376.5, 0.00322662/step Wall: 11376.5, 0.00322662/step, 1.25462 hours remaining, 234.292969 MB of memory in use. ENERGY: 3600200 3922.7716 20342.5611 14465.1138 256.8770 -203370.9024 2591.2318 0.0000 0.0000 52203.0626 -109589.2845 300.0117 -161792.3471 -109218.7925 299.1588 129.4464 156.4210 760383.5963 1.1557 0.9968 LDB: ============= START OF LOAD BALANCING ============== 11389 LDB: ============== END OF LOAD BALANCING =============== 11389 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11389 LDB: ============= START OF LOAD BALANCING ============== 11389.3 LDB: Largest compute 7027 load 0.031036 is 15.9% of average load 0.195655 LDB: Average compute 0.004376 is 2.2% of average load 0.195655 LDB: TIME 11389.3 LOAD: AVG 0.195655 MAX 0.216651 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.086 MB LDB: TIME 11389.3 LOAD: AVG 0.195655 MAX 0.216651 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.328 MB LDB: TIME 11389.3 LOAD: AVG 0.195655 MAX 0.216651 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.328 MB LDB: ============== END OF LOAD BALANCING =============== 11389.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11389.3 PRESSURE: 3600400 -74.1717 113.722 77.9409 113.722 -374.805 13.8047 77.9411 13.8055 500.369 GPRESSURE: 3600400 -59.3719 4.98801 35.8831 173.308 -306.562 54.6309 9.88655 91.3555 489.336 PRESSAVG: 3600400 -25.586 18.9767 -62.2422 18.9767 -15.4898 -33.4128 -62.2423 -33.4129 -13.8094 GPRESSAVG: 3600400 -25.4536 18.6237 -63.1729 18.7974 -17.0879 -34.8461 -59.9766 -33.3939 -12.4059 TIMING: 3600400 CPU: 11377.1, 0.00320288/step Wall: 11377.1, 0.00320288/step, 1.24521 hours remaining, 236.089844 MB of memory in use. ENERGY: 3600400 3990.4986 20411.0451 14391.4923 247.4237 -203048.3334 2418.0323 0.0000 0.0000 52064.7266 -109525.1148 299.2167 -161589.8414 -109171.4057 298.9575 17.1305 41.1341 760067.6790 -18.2951 -18.3158 PRESSURE: 3600600 3.3833 197.334 -307.314 197.333 130.164 65.8211 -307.313 65.8219 476.843 GPRESSURE: 3600600 105.714 251.908 -336.518 157.337 105.165 -48.9808 -258.31 106.965 480.431 PRESSAVG: 3600600 27.7361 58.2685 -0.528579 58.2685 -8.15833 3.9434 -0.528607 3.94341 1.41935 GPRESSAVG: 3600600 27.6582 58.6227 0.0688619 57.7149 -8.23864 4.31359 -0.779825 5.5241 1.84384 TIMING: 3600600 CPU: 11377.8, 0.0031612/step Wall: 11377.8, 0.0031612/step, 1.22883 hours remaining, 236.292969 MB of memory in use. ENERGY: 3600600 4006.6990 20287.0575 14453.0779 252.0624 -203137.4102 2574.5619 0.0000 0.0000 51942.4338 -109621.5176 298.5139 -161563.9515 -109258.5622 298.5896 203.4637 230.4368 759405.5899 6.9990 7.0878 PRESSURE: 3600800 -90.1264 -282.031 120.444 -282.031 -1.70941 273.726 120.443 273.724 192.048 GPRESSURE: 3600800 -28.8816 -242.748 79.6384 -185.729 43.533 311.869 145.435 368.752 181.931 PRESSAVG: 3600800 3.4127 -3.2469 -62.8025 -3.2469 -28.1929 30.0065 -62.8025 30.0064 7.62412 GPRESSAVG: 3600800 3.88024 -4.31633 -64.0284 -1.17389 -27.9175 30.2743 -65.0605 30.6401 6.77525 TIMING: 3600800 CPU: 11378.4, 0.00313259/step Wall: 11378.4, 0.00313259/step, 1.21753 hours remaining, 236.292969 MB of memory in use. ENERGY: 3600800 3989.8938 20369.0514 14512.5801 238.3483 -203363.4899 2583.8821 0.0000 0.0000 52168.7576 -109500.9766 299.8146 -161669.7342 -109144.8708 299.1191 33.4042 65.5273 760370.8481 -5.7187 -5.7540 PRESSURE: 3601000 230.873 -55.7587 -163.658 -55.7595 -82.328 -38.3674 -163.659 -38.3673 -251.471 GPRESSURE: 3601000 248.006 -100.753 -187.135 -58.5756 -109.693 -67.8786 -106.022 -21.2931 -155.486 PRESSAVG: 3601000 23.8983 4.25333 -3.81604 4.25331 -46.005 19.3367 -3.81604 19.3368 -3.68845 GPRESSAVG: 3601000 23.0364 3.78783 -2.70776 4.79449 -46.2756 20.1917 -1.75979 17.6798 -3.0114 TIMING: 3601000 CPU: 11379, 0.00312278/step Wall: 11379, 0.00312278/step, 1.21355 hours remaining, 236.292969 MB of memory in use. ENERGY: 3601000 3967.3034 20458.7225 14390.8177 235.6558 -203302.2296 2596.0519 0.0000 0.0000 52079.6053 -109574.0730 299.3022 -161653.6782 -109218.1053 299.5757 -34.3087 -5.7243 761503.7761 -8.5984 -8.7502 PRESSURE: 3601200 329.537 177.506 -143.202 177.506 -56.9105 194.32 -143.203 194.32 61.5005 GPRESSURE: 3601200 295.477 197.583 -226.554 95.6013 74.9438 194.538 -91.6603 202.776 31.2681 PRESSAVG: 3601200 81.1965 38.5315 -38.6603 38.5315 -28.3908 11.6757 -38.6604 11.6757 5.53835 GPRESSAVG: 3601200 81.7245 40.0728 -40.1125 36.5363 -29.372 12.803 -38.8615 12.4716 6.08443 TIMING: 3601200 CPU: 11379.6, 0.00313205/step Wall: 11379.6, 0.00313205/step, 1.21698 hours remaining, 236.292969 MB of memory in use. ENERGY: 3601200 3942.1058 20706.2216 14405.1812 242.3124 -203617.1430 2724.3360 0.0000 0.0000 52127.1328 -109469.8532 299.5753 -161596.9859 -109108.6431 299.2187 111.3758 133.8964 761706.1485 19.4480 19.4790 PRESSURE: 3601400 268.197 44.4437 20.6599 44.4435 -149.4 -69.571 20.6601 -69.5706 48.9115 GPRESSURE: 3601400 291.163 -6.56375 -10.3752 66.7008 -113.93 -48.8706 50.8871 30.5192 47.6211 PRESSAVG: 3601400 23.3706 -46.9067 -60.2459 -46.9068 -40.8629 75.4459 -60.2459 75.4459 19.0357 GPRESSAVG: 3601400 23.1101 -48.7349 -58.3501 -47.8687 -38.3777 74.6798 -61.1652 75.2503 17.3231 TIMING: 3601400 CPU: 11380.3, 0.003125/step Wall: 11380.3, 0.003125/step, 1.21406 hours remaining, 236.292969 MB of memory in use. ENERGY: 3601400 3968.0466 20498.8298 14420.5912 238.6765 -203494.9349 2474.6858 0.0000 0.0000 52255.0954 -109639.0095 300.3108 -161894.1049 -109283.8028 299.0283 55.9028 74.9515 760975.8378 0.5145 0.6852 PRESSURE: 3601600 2.01201 -69.1029 -121.528 -69.1036 -83.6596 185.609 -121.529 185.608 208.56 GPRESSURE: 3601600 46.5316 72.3526 -139.191 -90.5586 -13.8506 145.199 -71.2962 315.682 175.582 PRESSAVG: 3601600 62.5468 -77.6291 -51.0477 -77.6291 -77.7111 35.9403 -51.0478 35.9403 1.95276 GPRESSAVG: 3601600 63.8591 -74.5738 -52.5325 -76.353 -79.7263 34.6199 -51.4279 37.0098 2.61175 TIMING: 3601600 CPU: 11380.9, 0.00313373/step Wall: 11380.9, 0.00313373/step, 1.21728 hours remaining, 236.292969 MB of memory in use. ENERGY: 3601600 3914.2282 20472.0814 14479.4473 258.4574 -203613.6761 2735.9805 0.0000 0.0000 52004.2312 -109749.2501 298.8690 -161753.4813 -109380.4943 298.9204 42.3040 69.4209 761751.3668 -4.4038 -4.4185 PRESSURE: 3601800 221.426 176.699 -239.629 176.699 -50.1103 73.6845 -239.628 73.6845 261.751 GPRESSURE: 3601800 208.336 157.03 -254.684 26.3783 6.71146 -23.964 -214.452 111.071 309.713 PRESSAVG: 3601800 15.5136 -46.8625 -36.5106 -46.8624 0.987612 52.3998 -36.5106 52.3998 4.45071 GPRESSAVG: 3601800 15.0651 -48.5798 -35.5935 -47.2142 0.755893 52.8324 -34.1062 52.6865 5.34053 TIMING: 3601800 CPU: 11381.5, 0.00314009/step Wall: 11381.5, 0.00314009/step, 1.21957 hours remaining, 236.292969 MB of memory in use. ENERGY: 3601800 3973.5180 20550.9324 14372.5094 227.1715 -203360.2741 2359.9213 0.0000 0.0000 52035.5692 -109840.6524 299.0491 -161876.2216 -109484.0154 298.3296 144.3555 174.9203 759607.7659 6.9840 7.0538 PRESSURE: 3602000 -116.554 -46.938 185.88 -46.9374 -124.905 3.97657 185.881 3.97645 -1.85618 GPRESSURE: 3602000 -30.7257 -59.9126 207.245 -142.878 -117.296 5.97946 91.8157 9.64301 3.31824 PRESSAVG: 3602000 -22.3742 -46.1895 -8.00528 -46.1895 32.8014 -8.47779 -8.00526 -8.47779 10.5106 GPRESSAVG: 3602000 -23.0104 -46.1736 -8.37395 -45.8842 34.1908 -8.49714 -6.43475 -8.69648 9.96803 TIMING: 3602000 CPU: 11382.1, 0.00314429/step Wall: 11382.1, 0.00314429/step, 1.22103 hours remaining, 236.292969 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: 3602000 3904.2426 20596.2633 14389.9664 231.5004 -203135.0665 2323.8895 0.0000 0.0000 51959.2959 -109729.9083 298.6108 -161689.2042 -109361.7896 298.8235 -81.1052 -48.2345 760179.1483 6.9793 7.0495 PRESSURE: 3602200 -353.027 -163.141 -121.324 -163.141 -28.73 -65.4102 -121.324 -65.4096 166.412 GPRESSURE: 3602200 -321.819 -194.154 -132.272 -144.978 -43.0591 47.3895 -80.2256 -9.01962 226.986 PRESSAVG: 3602200 -12.6745 19.6672 10.9991 19.6672 -27.2183 16.5733 10.9991 16.5733 -6.82104 GPRESSAVG: 3602200 -11.903 17.4364 9.88629 19.8641 -28.0631 19.1362 9.94284 17.6971 -6.73458 TIMING: 3602200 CPU: 11382.8, 0.00316006/step Wall: 11382.8, 0.00316006/step, 1.22698 hours remaining, 236.292969 MB of memory in use. ENERGY: 3602200 3924.9230 20614.9587 14419.5163 233.9937 -202827.2756 2391.0878 0.0000 0.0000 51784.2708 -109458.5253 297.6049 -161242.7961 -109109.4730 298.5233 -71.7815 -45.9639 762295.3270 -15.5713 -15.5669 PRESSURE: 3602400 217.042 159.662 216.648 159.663 -107.213 106.671 216.647 106.67 508.179 GPRESSURE: 3602400 257.876 167.42 211.536 93.6643 -107.807 151.048 28.5817 -6.26099 527.036 PRESSAVG: 3602400 63.6018 -25.4886 25.1915 -25.4886 -42.3196 31.2244 25.1916 31.2244 18.1734 GPRESSAVG: 3602400 62.98 -25.0602 26.7941 -23.8128 -42.667 29.1423 22.708 29.6838 17.9732 TIMING: 3602400 CPU: 11383.4, 0.00313933/step Wall: 11383.4, 0.00313933/step, 1.21876 hours remaining, 236.292969 MB of memory in use. ENERGY: 3602400 4003.0330 20479.6326 14466.4553 253.7873 -203334.9319 2286.9629 0.0000 0.0000 52375.6180 -109469.4429 301.0034 -161845.0608 -109111.0489 298.8478 206.0028 225.7016 761212.8753 13.1519 12.7620 PRESSURE: 3602600 -184.951 -155.016 91.991 -155.016 176.812 -82.8623 91.991 -82.8613 -20.2128 GPRESSURE: 3602600 -115.984 -31.3408 87.9988 -206.847 125.962 -0.614679 29.514 125.777 43.7578 PRESSAVG: 3602600 43.1827 -32.5765 14.4821 -32.5765 -28.158 28.6834 14.4821 28.6835 14.1014 GPRESSAVG: 3602600 44.0687 -32.3727 13.7388 -32.7892 -28.4948 29.7709 15.5927 28.2205 13.5796 TIMING: 3602600 CPU: 11384, 0.00313812/step Wall: 11384, 0.00313812/step, 1.21811 hours remaining, 236.292969 MB of memory in use. ENERGY: 3602600 3970.9436 20432.6095 14461.5690 245.7442 -203193.9780 2394.7929 0.0000 0.0000 51981.9395 -109706.3793 298.7409 -161688.3188 -109337.6792 298.5992 -9.4504 17.9120 762760.1587 9.7087 9.7178 PRESSURE: 3602800 -107.492 -94.8956 25.2095 -94.8962 113.173 -286.544 25.2099 -286.544 -109.647 GPRESSURE: 3602800 -78.6403 -63.6147 -55.7021 -55.5451 108.782 -295.582 55.7167 -121.211 -39.4675 PRESSAVG: 3602800 1.65917 28.0175 -59.653 28.0175 47.598 -30.6273 -59.653 -30.6274 -4.1755 GPRESSAVG: 3602800 1.05161 27.4941 -58.3049 28.9264 48.7093 -29.3371 -60.0248 -28.9236 -4.42767 TIMING: 3602800 CPU: 11384.7, 0.00316083/step Wall: 11384.7, 0.00316083/step, 1.22675 hours remaining, 236.292969 MB of memory in use. ENERGY: 3602800 3955.5406 20521.2994 14413.5477 253.3608 -203534.0324 2738.8220 0.0000 0.0000 52157.2531 -109494.2087 299.7485 -161651.4619 -109129.7514 298.9049 -34.6554 -3.1085 761086.1234 15.0272 15.1111 PRESSURE: 3603000 177.225 68.4987 96.5666 68.4991 52.8072 209.723 96.5671 209.723 -222.282 GPRESSURE: 3603000 215.602 35.8561 33.9192 190.647 -68.5982 142.051 122.937 200.719 -46.0079 PRESSAVG: 3603000 -15.1928 21.6233 3.49551 21.6232 2.55436 23.2282 3.49549 23.2281 12.0243 GPRESSAVG: 3603000 -15.1257 21.1526 1.96438 22.695 1.7128 23.1777 4.46854 20.9173 13.1073 TIMING: 3603000 CPU: 11385.3, 0.00314381/step Wall: 11385.3, 0.00314381/step, 1.21997 hours remaining, 236.292969 MB of memory in use. ENERGY: 3603000 3914.6469 20552.6007 14452.1346 259.0213 -203348.2664 2738.2437 0.0000 0.0000 51829.6406 -109601.9787 297.8657 -161431.6192 -109248.1051 299.0673 2.5834 33.6652 761429.8388 -0.2047 -0.1018 PRESSURE: 3603200 122.848 39.6753 -86.364 39.6747 -170.658 157.848 -86.364 157.847 65.1988 GPRESSURE: 3603200 115.732 190.036 -39.1824 46.9834 -39.877 115.499 48.2646 54.896 2.63449 PRESSAVG: 3603200 18.1697 11.1751 -51.2616 11.1751 49.2433 -14.0401 -51.2617 -14.0401 9.85186 GPRESSAVG: 3603200 17.5193 14.1268 -51.7902 8.83627 49.7377 -14.859 -51.4834 -14.0426 9.6524 TIMING: 3603200 CPU: 11385.9, 0.00315018/step Wall: 11385.9, 0.00315018/step, 1.22227 hours remaining, 236.292969 MB of memory in use. ENERGY: 3603200 3920.7715 20512.5208 14487.8447 231.1090 -203309.1181 2557.0588 0.0000 0.0000 51986.9438 -109612.8695 298.7697 -161599.8132 -109244.5144 298.7141 5.7960 26.1633 760503.9203 25.7549 25.6365 PRESSURE: 3603400 -136.655 -46.0244 -174.998 -46.0241 43.8526 273.905 -174.998 273.905 89.3455 GPRESSURE: 3603400 -113.447 -213.826 -92.632 -3.99308 142.701 214.035 -36.2836 338.2 58.4049 PRESSAVG: 3603400 36.8357 47.3959 -21.925 47.3959 -33.6885 48.4178 -21.9251 48.4179 -4.04031 GPRESSAVG: 3603400 38.4269 45.1757 -21.7617 48.3552 -34.583 48.7933 -21.8074 49.8771 -4.70926 TIMING: 3603400 CPU: 11386.6, 0.00315745/step Wall: 11386.6, 0.00315745/step, 1.22491 hours remaining, 236.292969 MB of memory in use. ENERGY: 3603400 3999.9366 20418.8062 14397.0773 258.4092 -203310.0416 2559.8083 0.0000 0.0000 52026.5108 -109649.4932 298.9971 -161676.0040 -109286.5454 298.7150 -1.1523 29.2198 760957.3606 -0.2977 -0.2885 PRESSURE: 3603600 42.484 294.908 56.8516 294.907 194.75 -133.815 56.8509 -133.816 -188.601 GPRESSURE: 3603600 160.407 245.028 -30.4433 267.289 146.279 -104.902 -45.5384 -54.1885 -186.999 PRESSAVG: 3603600 29.0994 11.1959 -17.3891 11.1959 -49.0728 15.9673 -17.3891 15.9674 21.7305 GPRESSAVG: 3603600 27.9128 11.1 -15.2131 10.389 -48.6072 16.251 -19.003 15.0594 22.4366 TIMING: 3603600 CPU: 11387.2, 0.00314529/step Wall: 11387.2, 0.00314529/step, 1.22002 hours remaining, 236.292969 MB of memory in use. ENERGY: 3603600 3963.0501 20229.0774 14468.0988 225.2327 -203269.7189 2705.7176 0.0000 0.0000 51808.0831 -109870.4591 297.7418 -161678.5423 -109508.5437 298.5179 16.2113 39.8954 760490.9728 0.5857 0.5807 PRESSURE: 3603800 -121.996 -127.073 242.605 -127.073 -217.798 -116.927 242.605 -116.925 252.493 GPRESSURE: 3603800 -139.289 -146.97 292.68 -84.0064 -171.221 -135.089 226.276 -19.6881 318.987 PRESSAVG: 3603800 66.7834 28.478 -19.3114 28.478 -73.1086 -19.769 -19.3114 -19.769 10.1049 GPRESSAVG: 3603800 64.8176 30.845 -19.4338 29.1221 -71.5594 -21.1727 -17.8015 -17.053 10.3567 TIMING: 3603800 CPU: 11387.8, 0.00317155/step Wall: 11387.8, 0.00317155/step, 1.23003 hours remaining, 236.292969 MB of memory in use. ENERGY: 3603800 3959.7912 20413.6205 14399.7778 250.4315 -203163.5432 2333.4563 0.0000 0.0000 52030.2153 -109776.2505 299.0184 -161806.4658 -109421.3815 298.4379 -29.1002 2.8256 761726.6821 1.2599 1.2050 PRESSURE: 3604000 -51.927 235.026 -173.579 235.025 -40.2105 -88.0969 -173.58 -88.0954 147.883 GPRESSURE: 3604000 -99.5862 104.816 -256.67 184.462 -35.4728 -142.931 -123.143 -91.6658 263.956 PRESSAVG: 3604000 35.1049 21.2961 -33.7375 21.2961 -18.8852 23.7289 -33.7376 23.7289 6.15162 GPRESSAVG: 3604000 36.2792 20.6843 -35.684 18.8115 -20.6468 24.3422 -33.8506 20.9613 5.90537 TIMING: 3604000 CPU: 11388.5, 0.00314828/step Wall: 11388.5, 0.00314828/step, 1.22083 hours remaining, 236.292969 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: 3604000 4012.7126 20404.4214 14483.3668 262.8049 -203243.9354 2545.1966 0.0000 0.0000 52043.8422 -109491.5910 299.0967 -161535.4333 -109122.4513 299.2263 18.5817 42.9655 759995.5302 7.4571 7.1793 PRESSURE: 3604200 -321.435 220.495 -92.6141 220.495 -234.832 143.227 -92.6131 143.226 -455.016 GPRESSURE: 3604200 -213.547 245.999 -27.9817 173.279 -227.718 118.648 -201.528 29.1337 -481.393 PRESSAVG: 3604200 -26.9042 -34.476 -31.2619 -34.4759 -1.67696 -2.24571 -31.2619 -2.24575 26.6843 GPRESSAVG: 3604200 -25.2152 -36.4468 -29.981 -32.6896 -2.91126 -2.8205 -32.383 -1.09737 26.0311 TIMING: 3604200 CPU: 11389.1, 0.00314708/step Wall: 11389.1, 0.00314708/step, 1.22019 hours remaining, 236.292969 MB of memory in use. ENERGY: 3604200 3949.8426 20406.2798 14434.8652 252.4005 -202757.7733 2155.9750 0.0000 0.0000 51999.7921 -109558.6182 298.8435 -161558.4103 -109207.5351 299.7148 -337.0942 -307.5525 761380.0158 -0.6323 -0.6985 LDB: ============= START OF LOAD BALANCING ============== 11401.6 LDB: ============== END OF LOAD BALANCING =============== 11401.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11401.6 LDB: ============= START OF LOAD BALANCING ============== 11401.9 LDB: Largest compute 7078 load 0.031974 is 16.3% of average load 0.195622 LDB: Average compute 0.004374 is 2.2% of average load 0.195622 LDB: TIME 11401.9 LOAD: AVG 0.195622 MAX 0.215831 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 11401.9 LOAD: AVG 0.195622 MAX 0.215831 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 11401.9 LOAD: AVG 0.195622 MAX 0.215831 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 11401.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11401.9 PRESSURE: 3604400 -189.684 48.7033 35.1911 48.7035 73.601 12.7046 35.1917 12.7044 101.539 GPRESSURE: 3604400 -211.141 -4.06591 42.1399 84.7054 219.593 1.9809 47.768 2.63293 78.0267 PRESSAVG: 3604400 10.37 21.1094 84.6499 21.1095 7.41557 23.5355 84.6499 23.5356 -2.33104 GPRESSAVG: 3604400 10.2484 22.4803 84.301 20.6916 7.91786 23.6964 84.6325 22.8905 -2.69388 TIMING: 3604400 CPU: 11389.7, 0.00322946/step Wall: 11389.7, 0.00322946/step, 1.25196 hours remaining, 234.882812 MB of memory in use. ENERGY: 3604400 3904.4884 20409.9704 14463.5143 246.6511 -203215.2518 2479.5991 0.0000 0.0000 51940.4530 -109770.5754 298.5025 -161711.0285 -109408.1957 299.0452 -4.8480 28.8263 760063.4983 5.1515 5.1575 PRESSURE: 3604600 -136.648 212.679 -165.493 212.679 -80.3485 -64.2657 -165.493 -64.266 -239.289 GPRESSURE: 3604600 -27.4753 172.724 -180.801 125.122 -151.979 -50.4824 -102.894 -117.34 -200.969 PRESSAVG: 3604600 55.0035 30.0901 -30.2137 30.0901 -26.9522 35.4915 -30.2136 35.4916 -23.5011 GPRESSAVG: 3604600 53.1137 31.1745 -31.1277 29.4084 -24.3668 37.4656 -26.1939 35.8592 -23.775 TIMING: 3604600 CPU: 11390.4, 0.00315818/step Wall: 11390.4, 0.00315818/step, 1.22415 hours remaining, 235.085938 MB of memory in use. ENERGY: 3604600 3930.4601 20314.4077 14436.8895 239.5648 -203342.7115 2522.7265 0.0000 0.0000 51809.7022 -110088.9609 297.7511 -161898.6631 -109715.2904 298.3576 -152.0954 -126.8076 762112.8936 1.5167 1.6573 PRESSURE: 3604800 161.68 -258.359 -156.987 -258.358 339.142 132.313 -156.987 132.313 33.1488 GPRESSURE: 3604800 199.634 -307.548 -174.185 -176.892 389.738 156.443 -130.601 163.251 25.1471 PRESSAVG: 3604800 79.163 3.58534 -19.3895 3.58538 -80.8752 60.8083 -19.3896 60.8082 18.9481 GPRESSAVG: 3604800 79.1832 2.60784 -17.5631 6.12042 -82.2774 59.1668 -20.9361 60.9948 20.0868 TIMING: 3604800 CPU: 11391, 0.00312427/step Wall: 11391, 0.00312427/step, 1.21083 hours remaining, 235.085938 MB of memory in use. ENERGY: 3604800 3940.7574 20475.0540 14454.9603 239.7984 -203717.3376 2916.0657 0.0000 0.0000 51630.1950 -110060.5067 296.7194 -161690.7018 -109702.0171 297.9098 177.9904 204.8398 761374.5329 5.7453 5.6642 PRESSURE: 3605000 125.595 -115.918 -112.713 -115.917 -174.022 -132.147 -112.714 -132.146 129.615 GPRESSURE: 3605000 161.838 -94.461 -149.089 -19.0754 -105.468 -34.7364 -138.914 -94.9539 91.0426 PRESSAVG: 3605000 78.557 3.11984 -22.1187 3.11982 -75.7397 64.8361 -22.1187 64.8362 5.31804 GPRESSAVG: 3605000 78.4084 3.73528 -22.4707 0.36356 -75.4226 64.7872 -22.9841 64.7639 4.86939 TIMING: 3605000 CPU: 11391.6, 0.00313689/step Wall: 11391.6, 0.00313689/step, 1.21555 hours remaining, 235.085938 MB of memory in use. ENERGY: 3605000 3922.1466 20396.0279 14449.5250 255.6595 -203842.6034 2623.2416 0.0000 0.0000 51997.7986 -110198.2042 298.8321 -162196.0028 -109833.6453 297.8671 27.0628 49.1374 760881.4771 2.7118 2.6184 PRESSURE: 3605200 149.557 72.8412 188.496 72.8407 30.0164 -73.4942 188.497 -73.4946 -397.659 GPRESSURE: 3605200 158.456 -10.7426 226.434 -14.4034 41.282 -77.7561 26.0584 -82.5112 -336.168 PRESSAVG: 3605200 37.8185 -11.3885 15.0166 -11.3885 17.2071 7.91246 15.0166 7.91248 17.0886 GPRESSAVG: 3605200 38.7535 -11.3875 14.821 -9.01448 18.0905 6.52974 13.4349 8.35219 15.4589 TIMING: 3605200 CPU: 11392.2, 0.00314872/step Wall: 11392.2, 0.00314872/step, 1.21996 hours remaining, 235.085938 MB of memory in use. ENERGY: 3605200 3949.0465 20421.5640 14440.3475 257.9794 -203800.6900 2768.3327 0.0000 0.0000 51831.2819 -110132.1380 297.8751 -161963.4199 -109764.3575 298.0629 -72.6952 -45.4768 761202.6959 24.0381 24.1010 PRESSURE: 3605400 -296.848 29.9616 -1.44408 29.9625 298.385 -68.1367 -1.4433 -68.1364 131.119 GPRESSURE: 3605400 -267.951 107.18 14.0294 152.876 289.382 -51.6707 47.9676 38.623 190.688 PRESSAVG: 3605400 7.44453 -2.983 33.0315 -2.98303 -4.53571 -14.857 33.0315 -14.857 -12.2419 GPRESSAVG: 3605400 7.28384 -2.87923 32.4668 -4.5805 -6.3278 -14.3258 33.6898 -15.4927 -10.7038 TIMING: 3605400 CPU: 11392.9, 0.00314818/step Wall: 11392.9, 0.00314818/step, 1.21957 hours remaining, 235.085938 MB of memory in use. ENERGY: 3605400 3978.7420 20517.2668 14532.6954 225.6814 -203717.0133 2637.0791 0.0000 0.0000 51830.8900 -109994.6587 297.8728 -161825.5487 -109647.2293 298.2283 44.2190 70.7063 759374.6631 -3.1110 -3.2493 PRESSURE: 3605600 160.892 78.65 25.8627 78.6503 90.5377 -81.7017 25.8625 -81.7028 466.794 GPRESSURE: 3605600 135.901 -11.1281 -5.81363 -8.56409 194.866 -49.5711 87.8157 -135.703 473.731 PRESSAVG: 3605600 1.20712 1.32606 -3.37172 1.32604 -12.3689 -16.5936 -3.37174 -16.5936 8.75013 GPRESSAVG: 3605600 0.873413 0.920463 -1.95755 1.0654 -11.7607 -15.3784 -4.49537 -16.5577 8.0932 TIMING: 3605600 CPU: 11393.5, 0.00314958/step Wall: 11393.5, 0.00314958/step, 1.21994 hours remaining, 235.085938 MB of memory in use. ENERGY: 3605600 3987.9715 20382.9925 14401.7282 242.5737 -203731.1511 2780.4318 0.0000 0.0000 51830.0969 -110105.3566 297.8683 -161935.4535 -109753.8833 298.1185 239.4079 268.1661 760040.7617 -0.8039 -0.9314 PRESSURE: 3605800 307.875 -61.9321 -95.3843 -61.9331 45.0517 337.254 -95.384 337.254 279.325 GPRESSURE: 3605800 226.753 38.4378 -82.4675 -83.7703 142.329 250.716 -62.6797 295.225 334.705 PRESSAVG: 3605800 59.5558 -31.2087 31.5963 -31.2087 -56.3212 8.20162 31.5963 8.20161 -14.213 GPRESSAVG: 3605800 59.1376 -30.9448 29.9607 -31.2709 -56.7172 8.05992 34.4172 8.71461 -12.829 TIMING: 3605800 CPU: 11394.1, 0.00313627/step Wall: 11394.1, 0.00313627/step, 1.21461 hours remaining, 235.085938 MB of memory in use. ENERGY: 3605800 3998.8342 20416.2549 14429.5080 241.0420 -203482.9893 2673.8966 0.0000 0.0000 51587.5264 -110135.9272 296.4742 -161723.4536 -109784.5101 297.8446 210.7503 234.5954 759927.7055 -3.6595 -3.4695 PRESSURE: 3606000 -6.30179 22.1599 -106.453 22.16 -255.806 -66.7132 -106.453 -66.7132 99.9089 GPRESSURE: 3606000 64.2515 0.545599 -91.7297 4.32374 -222.515 -137.62 -111.892 -70.6996 76.4728 PRESSAVG: 3606000 97.8473 -26.9958 27.9336 -26.9958 -95.0915 9.90058 27.9336 9.90049 -16.5817 GPRESSAVG: 3606000 97.8778 -25.1293 27.7851 -27.7082 -94.7681 10.9715 26.5975 8.05711 -17.1529 TIMING: 3606000 CPU: 11394.8, 0.00312969/step Wall: 11394.8, 0.00312969/step, 1.21189 hours remaining, 235.085938 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: 3606000 3915.2039 20416.0482 14504.7619 224.8784 -203489.8490 2461.6932 0.0000 0.0000 51915.6078 -110051.6557 298.3597 -161967.2635 -109686.2503 298.1096 -54.0664 -27.2635 762007.8464 -4.6086 -4.6811 PRESSURE: 3606200 266.579 61.9388 -277.068 61.9395 -415.981 57.0609 -277.067 57.061 75.1668 GPRESSURE: 3606200 289.61 22.1337 -277.829 84.2353 -400.614 74.4693 -324.667 -2.13936 123.046 PRESSAVG: 3606200 27.0691 34.836 -9.70615 34.836 -36.2373 -39.0723 -9.70611 -39.0723 -4.15698 GPRESSAVG: 3606200 27.437 31.8067 -8.44407 36.3023 -36.9474 -38.6751 -9.89345 -38.0008 -3.76368 TIMING: 3606200 CPU: 11395.4, 0.00315531/step Wall: 11395.4, 0.00315531/step, 1.22163 hours remaining, 235.085938 MB of memory in use. ENERGY: 3606200 3904.2729 20473.6582 14449.8727 261.8323 -203010.9291 2185.0414 0.0000 0.0000 51958.6802 -109777.5713 298.6072 -161736.2515 -109411.5796 298.0486 -24.7448 4.0139 762432.0353 -4.4417 -4.4247 PRESSURE: 3606400 -249.897 -296.705 189.615 -296.705 -69.2185 78.1775 189.615 78.1781 -21.3419 GPRESSURE: 3606400 -216.347 -177.025 135.528 -187.626 -62.7168 38.6896 118.472 173.131 27.5507 PRESSAVG: 3606400 71.9048 25.9676 -39.9356 25.9676 -46.8499 -15.9896 -39.9356 -15.9895 15.9725 GPRESSAVG: 3606400 71.2439 25.6167 -42.1336 25.3335 -46.7193 -17.6299 -37.9757 -14.6423 16.9899 TIMING: 3606400 CPU: 11396, 0.00315888/step Wall: 11396, 0.00315888/step, 1.22284 hours remaining, 235.085938 MB of memory in use. ENERGY: 3606400 3990.0110 20587.7949 14414.5262 236.2757 -203350.5374 2528.4377 0.0000 0.0000 51773.5591 -109819.9329 297.5434 -161593.4920 -109462.0002 298.0032 -113.4858 -83.8376 762340.1246 13.6758 13.8382 PRESSURE: 3606600 118.901 97.9923 96.9681 97.9929 77.3345 384.399 96.9689 384.398 307.33 GPRESSURE: 3606600 178.392 145.033 41.8994 97.0656 193.884 373.666 104.092 274.508 224.984 PRESSAVG: 3606600 27.7438 -14.4028 19.0458 -14.4028 -48.0817 26.8229 19.0458 26.8229 11.9308 GPRESSAVG: 3606600 28.2669 -13.9787 18.7579 -12.7569 -48.163 27.953 18.3083 23.8812 10.9692 TIMING: 3606600 CPU: 11396.6, 0.00315/step Wall: 11396.6, 0.00315/step, 1.21922 hours remaining, 235.085938 MB of memory in use. ENERGY: 3606600 3991.2168 20521.5877 14366.4969 235.3833 -204068.0656 2918.9722 0.0000 0.0000 51980.3207 -110054.0880 298.7316 -162034.4087 -109690.2198 298.4886 167.8554 199.0869 760902.6351 -2.8024 -2.9756 PRESSURE: 3606800 425.176 249.093 315.983 249.093 -150.221 -178.448 315.983 -178.448 96.3562 GPRESSURE: 3606800 470.722 182.068 333.798 135.59 -97.2815 -187.925 140.896 -84.8475 88.4644 PRESSAVG: 3606800 22.2628 3.6791 3.84885 3.67907 -55.4734 4.44379 3.84884 4.44382 12.8839 GPRESSAVG: 3606800 23.2864 4.56276 4.93283 2.33556 -55.7294 4.51569 0.677088 6.53848 11.9911 TIMING: 3606800 CPU: 11397.3, 0.00313305/step Wall: 11397.3, 0.00313305/step, 1.21249 hours remaining, 235.085938 MB of memory in use. ENERGY: 3606800 3999.4702 20489.4425 14404.2228 254.8604 -203434.7090 2851.7691 0.0000 0.0000 51651.7436 -109783.2005 296.8433 -161434.9440 -109421.2882 298.6295 123.7705 153.9682 760309.4784 -6.7755 -6.8173 PRESSURE: 3607000 289.692 39.0695 -78.5053 39.0701 -36.0803 -17.6453 -78.5051 -17.6455 -236.132 GPRESSURE: 3607000 327.853 -78.4345 -143.599 131.218 -25.3248 -56.7673 -107.194 -125.607 -200.611 PRESSAVG: 3607000 27.2701 6.48566 -28.8786 6.48564 -6.51086 14.1891 -28.8787 14.1892 18.538 GPRESSAVG: 3607000 26.5656 5.21258 -27.4832 7.33868 -6.10049 13.9829 -28.919 13.2593 18.5974 TIMING: 3607000 CPU: 11397.9, 0.00313198/step Wall: 11397.9, 0.00313198/step, 1.2119 hours remaining, 235.085938 MB of memory in use. ENERGY: 3607000 4006.7259 20555.6140 14364.5822 241.0661 -203660.5342 2549.2314 0.0000 0.0000 52209.8886 -109733.4261 300.0509 -161943.3147 -109374.1009 298.8119 5.8266 33.9726 761048.5913 13.0991 13.0208 PRESSURE: 3607200 -67.1685 -156.59 29.3465 -156.59 -85.8599 234.707 29.3475 234.707 -286.058 GPRESSURE: 3607200 -45.3766 31.2124 22.4556 -131.322 -61.9893 231.15 178.72 268.725 -257.479 PRESSAVG: 3607200 43.8577 -14.6186 24.4046 -14.6186 -56.0029 -0.221515 24.4046 -0.221497 -5.12141 GPRESSAVG: 3607200 43.517 -13.4635 23.3835 -14.8371 -55.7479 -1.4159 26.6101 1.86683 -5.05695 TIMING: 3607200 CPU: 11398.5, 0.00314504/step Wall: 11398.5, 0.00314504/step, 1.21678 hours remaining, 235.085938 MB of memory in use. ENERGY: 3607200 4054.9221 20615.3396 14383.3532 242.3179 -203220.1774 2555.5110 0.0000 0.0000 51603.1716 -109765.5619 296.5641 -161368.7335 -109416.9757 298.3739 -146.3620 -121.6149 761363.2948 -5.7556 -5.7626 PRESSURE: 3607400 -147.377 129.353 -251.452 129.353 -237.002 251.229 -251.453 251.228 -299.534 GPRESSURE: 3607400 -262.322 82.7475 -312.836 77.7256 -79.8959 213.467 -343.296 162.776 -287.247 PRESSAVG: 3607400 53.1057 5.33758 17.7414 5.33757 -85.9917 34.7893 17.7414 34.7893 11.5149 GPRESSAVG: 3607400 53.8677 5.93104 15.9978 3.64915 -86.4555 34.7635 18.458 34.2869 11.3363 TIMING: 3607400 CPU: 11399.2, 0.00315595/step Wall: 11399.2, 0.00315595/step, 1.22083 hours remaining, 235.085938 MB of memory in use. ENERGY: 3607400 3897.1105 20662.9248 14366.2319 237.8076 -203311.8370 2379.8626 0.0000 0.0000 52147.3635 -109620.5361 299.6916 -161767.8996 -109257.7921 299.3595 -227.9713 -209.8216 762091.7102 -7.1237 -7.0838 PRESSURE: 3607600 29.9052 -320.114 17.4655 -320.114 129.263 -71.4938 17.4651 -71.494 303.669 GPRESSURE: 3607600 104.802 -425.085 -51.1487 -165.132 121.178 -127.002 2.49935 103.363 343.268 PRESSAVG: 3607600 67.6635 -49.5662 11.9531 -49.5662 -27.7946 46.3041 11.9531 46.3041 -6.51309 GPRESSAVG: 3607600 66.5685 -51.604 11.82 -47.9366 -27.4812 47.2779 10.7089 45.2334 -5.13008 TIMING: 3607600 CPU: 11399.8, 0.0031576/step Wall: 11399.8, 0.0031576/step, 1.22129 hours remaining, 235.085938 MB of memory in use. ENERGY: 3607600 3991.5983 20529.4076 14423.9941 251.7455 -203246.2744 2602.1212 0.0000 0.0000 52124.8801 -109322.5277 299.5624 -161447.4078 -108959.8800 299.5082 154.2790 189.7494 759460.1282 11.1186 11.3191 PRESSURE: 3607800 176.737 -135.058 78.7746 -135.059 -0.911281 253.472 78.7751 253.471 -117.414 GPRESSURE: 3607800 173.461 -62.9937 58.8276 -135.395 81.0127 149.69 150.783 174.85 -94.1602 PRESSAVG: 3607800 48.491 6.74966 -8.71134 6.7497 -17.0066 55.6825 -8.71129 55.6825 7.86112 GPRESSAVG: 3607800 49.1539 6.62696 -6.92728 8.25511 -17.6077 54.5138 -8.19317 58.3512 7.84412 TIMING: 3607800 CPU: 11400.4, 0.0031705/step Wall: 11400.4, 0.00317049/step, 1.2261 hours remaining, 235.085938 MB of memory in use. ENERGY: 3607800 4012.5675 20397.1367 14496.1494 257.3363 -203387.8088 2666.7043 0.0000 0.0000 52190.6501 -109367.2645 299.9404 -161557.9147 -109004.4217 299.7614 19.4706 53.4379 759853.3788 13.1151 13.1301 PRESSURE: 3608000 203.957 -287.883 -116.684 -287.883 110.289 23.7203 -116.685 23.7207 17.2841 GPRESSURE: 3608000 221.334 -269.594 -48.5946 -283.104 91.4066 184.697 -38.1928 -58.7196 111.263 PRESSAVG: 3608000 57.4748 11.5216 36.0661 11.5216 -29.0737 8.47091 36.066 8.47088 2.83035 GPRESSAVG: 3608000 57.7311 13.539 34.5507 10.737 -30.0942 9.89254 37.202 6.94226 3.69456 TIMING: 3608000 CPU: 11401.1, 0.00316671/step Wall: 11401.1, 0.00316671/step, 1.22446 hours remaining, 235.085938 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: 3608000 3970.9651 20495.4442 14511.5427 232.2812 -203272.9371 2664.4238 0.0000 0.0000 52092.6728 -109305.6073 299.3773 -161398.2801 -108943.5946 299.6057 110.5101 141.3346 761780.5596 10.4105 10.4438 PRESSURE: 3608200 135.592 81.3717 147.209 81.3723 -288.789 -48.0923 147.209 -48.0923 -392.743 GPRESSURE: 3608200 116.097 126.911 154.842 207.893 -200.121 -38.8762 63.0138 67.6938 -384.529 PRESSAVG: 3608200 41.749 7.70571 -1.66057 7.70566 -37.7415 0.740333 -1.66054 0.740372 6.4819 GPRESSAVG: 3608200 43.0291 6.0698 0.85119 8.7994 -36.8887 1.56077 -2.87238 0.568335 3.57163 TIMING: 3608200 CPU: 11401.7, 0.00319213/step Wall: 11401.7, 0.00319213/step, 1.23411 hours remaining, 235.085938 MB of memory in use. ENERGY: 3608200 4043.4302 20572.7304 14563.8598 251.2139 -203085.0990 2360.2464 0.0000 0.0000 52172.7886 -109120.8298 299.8377 -161293.6184 -108761.6106 299.5624 -181.9800 -156.1844 762198.6850 3.4965 3.2374 LDB: ============= START OF LOAD BALANCING ============== 11414.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11414.2 LDB: =============== DONE WITH MIGRATION ================ 11414.2 LDB: ============= START OF LOAD BALANCING ============== 11414.5 LDB: Largest compute 7059 load 0.031624 is 16.2% of average load 0.195637 LDB: Average compute 0.004362 is 2.2% of average load 0.195637 LDB: TIME 11414.5 LOAD: AVG 0.195637 MAX 0.216346 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 11414.5 LOAD: AVG 0.195637 MAX 0.216346 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 11414.5 LOAD: AVG 0.195637 MAX 0.216346 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 11414.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11414.6 PRESSURE: 3608400 -61.5363 -142.728 -195.021 -142.729 -356.381 -112.293 -195.021 -112.292 -252.744 GPRESSURE: 3608400 29.6731 -83.246 -241.851 -184.565 -309.363 -213.953 -233.354 -102.603 -305.552 PRESSAVG: 3608400 64.2988 -35.6556 19.9145 -35.6556 -70.0179 -27.7611 19.9144 -27.7611 -2.40591 GPRESSAVG: 3608400 64.2703 -35.1252 18.5953 -37.1123 -70.5627 -29.1772 19.0279 -27.5856 -1.65755 TIMING: 3608400 CPU: 11402.3, 0.00321646/step Wall: 11402.3, 0.00321646/step, 1.24334 hours remaining, 236.421875 MB of memory in use. ENERGY: 3608400 4087.3087 20403.5939 14469.8465 251.2768 -202703.2231 2256.3924 0.0000 0.0000 52176.9182 -109057.8866 299.8615 -161234.8048 -108686.0495 299.9607 -223.5538 -195.0806 762402.1012 -2.7084 -2.6500 PRESSURE: 3608600 430.937 -76.1873 -132.645 -76.1873 157.901 -152.331 -132.645 -152.331 3.26713 GPRESSURE: 3608600 472.747 -55.4637 -56.5144 -139.947 130.607 -163.922 -128.631 -67.958 55.1145 PRESSAVG: 3608600 66.237 -7.98805 11.1287 -7.988 -64.2574 29.6872 11.1287 29.6871 -10.8454 GPRESSAVG: 3608600 65.3897 -9.85722 11.251 -7.0263 -64.8492 30.5964 12.1665 29.629 -9.1931 TIMING: 3608600 CPU: 11403, 0.00316197/step Wall: 11403, 0.00316197/step, 1.2221 hours remaining, 236.882812 MB of memory in use. ENERGY: 3608600 3987.4514 20481.6302 14462.0376 263.4296 -203131.2271 2567.6318 0.0000 0.0000 52125.0870 -109243.9596 299.5636 -161369.0466 -108876.3149 299.6300 197.3685 219.4893 761278.4094 -2.9553 -2.8842 PRESSURE: 3608800 -190.603 93.3568 -54.5838 93.3566 -434.452 344.991 -54.5843 344.991 101.21 GPRESSURE: 3608800 -127.803 30.2619 -109.181 149.027 -389.974 202.182 66.3627 310.841 69.0665 PRESSAVG: 3608800 12.6076 -15.5477 8.80905 -15.5477 -43.7248 22.9829 8.809 22.9829 8.33999 GPRESSAVG: 3608800 12.9601 -16.2985 8.34037 -15.6784 -44.0477 21.3124 8.93628 23.7722 8.3978 TIMING: 3608800 CPU: 11403.6, 0.00315267/step Wall: 11403.6, 0.00315267/step, 1.21833 hours remaining, 236.882812 MB of memory in use. ENERGY: 3608800 4049.5605 20535.1564 14507.7737 230.5693 -202976.4092 2343.7454 0.0000 0.0000 52074.5649 -109235.0391 299.2732 -161309.6039 -108875.6016 299.4371 -174.6153 -149.5700 763126.6442 -7.5924 -7.5632 PRESSURE: 3609000 -125.824 -24.2891 -40.4233 -24.2888 3.10275 197.417 -40.4232 197.416 -23.604 GPRESSURE: 3609000 11.8571 -88.5897 -26.6635 71.3822 -32.413 123.423 30.8638 67.9206 -28.0376 PRESSAVG: 3609000 59.5875 30.4666 15.3733 30.4666 -41.4664 -11.2793 15.3734 -11.2793 23.6534 GPRESSAVG: 3609000 58.6843 31.357 15.0241 31.0064 -40.3191 -11.1044 17.292 -12.2749 23.5445 TIMING: 3609000 CPU: 11404.2, 0.003157/step Wall: 11404.2, 0.003157/step, 1.21983 hours remaining, 236.882812 MB of memory in use. ENERGY: 3609000 3989.6421 20551.1839 14480.8095 246.6998 -203370.5790 2658.0195 0.0000 0.0000 52265.9756 -109178.2485 300.3733 -161444.2241 -108803.2616 299.6180 -48.7752 -16.1978 762266.4055 13.9248 13.9699 PRESSURE: 3609200 -156.08 -68.787 36.5736 -68.7865 218.497 73.7347 36.5735 73.7342 147.484 GPRESSURE: 3609200 -72.2577 -44.9532 -8.65335 -114.712 186.101 122.613 -115.572 91.398 167.436 PRESSAVG: 3609200 35.2524 25.0899 10.3142 25.0899 -56.4943 50.9312 10.3142 50.9312 2.34044 GPRESSAVG: 3609200 36.4459 24.6719 12.2951 23.3578 -57.4302 53.739 9.39812 51.2066 2.56607 TIMING: 3609200 CPU: 11404.9, 0.00318011/step Wall: 11404.9, 0.00318011/step, 1.22858 hours remaining, 236.898438 MB of memory in use. ENERGY: 3609200 3893.9996 20666.2123 14437.6155 235.4601 -202844.2347 2453.9232 0.0000 0.0000 52018.9189 -109138.1052 298.9534 -161157.0241 -108780.5861 299.8713 69.9669 93.7597 761825.5006 -6.3005 -6.1394 PRESSURE: 3609400 193.687 60.8887 -119.959 60.8884 -25.1394 27.972 -119.959 27.9725 -11.9518 GPRESSURE: 3609400 243.206 83.7109 -124.537 -92.832 7.23323 -19.8994 -83.9327 47.8445 1.81037 PRESSAVG: 3609400 8.02432 10.9684 -22.2796 10.9684 -22.3235 52.6349 -22.2796 52.6349 17.8634 GPRESSAVG: 3609400 7.24433 11.4957 -21.8436 11.3806 -20.9336 50.6983 -24.5762 53.7107 17.4775 TIMING: 3609400 CPU: 11405.5, 0.00316629/step Wall: 11405.5, 0.00316629/step, 1.22307 hours remaining, 236.898438 MB of memory in use. ENERGY: 3609400 3994.9570 20539.4080 14475.4205 248.0956 -202933.1938 2460.3577 0.0000 0.0000 52004.5526 -109210.4025 298.8709 -161214.9551 -108852.3932 299.6953 52.1986 84.0833 761657.4285 1.1880 1.2627 PRESSURE: 3609600 -448.675 107.686 -162.957 107.686 44.4274 -134.696 -162.956 -134.697 274.076 GPRESSURE: 3609600 -329.05 30.4073 -56.9632 164.904 52.4561 -158.645 -52.866 -225.629 233.655 PRESSAVG: 3609600 29.1672 22.0186 19.3715 22.0186 -67.824 42.1662 19.3715 42.1662 -11.271 GPRESSAVG: 3609600 28.6964 22.1615 18.3916 22.0117 -67.634 42.895 20.3855 39.2158 -11.365 TIMING: 3609600 CPU: 11406.1, 0.00319145/step Wall: 11406.1, 0.00319145/step, 1.23261 hours remaining, 236.898438 MB of memory in use. ENERGY: 3609600 3992.2572 20624.6319 14417.6067 245.2377 -203196.4434 2720.6923 0.0000 0.0000 52012.6473 -109183.3702 298.9174 -161196.0176 -108830.9994 299.0755 -43.3906 -14.3130 763359.4632 -16.6426 -16.7675 PRESSURE: 3609800 257.756 -187.325 79.4343 -187.325 -162.247 336.171 79.4342 336.17 -103.803 GPRESSURE: 3609800 292.292 -92.7994 -30.9332 -124.486 -189.393 409.817 173.975 293.802 -35.1476 PRESSAVG: 3609800 28.6297 -33.4008 51.4213 -33.4007 -20.097 -9.87574 51.4213 -9.87562 23.7906 GPRESSAVG: 3609800 30.0731 -34.3262 51.5277 -32.0639 -20.9219 -9.22032 52.0336 -7.51357 22.7821 TIMING: 3609800 CPU: 11406.8, 0.00318005/step Wall: 11406.8, 0.00318005/step, 1.22803 hours remaining, 236.898438 MB of memory in use. ENERGY: 3609800 4049.5657 20439.0012 14537.6940 240.4238 -203575.9775 2947.7830 0.0000 0.0000 52209.9418 -109151.5680 300.0513 -161361.5098 -108788.4653 299.7837 -2.7646 22.5836 763330.5891 10.7744 10.6444 PRESSURE: 3610000 -357.7 99.3819 -106.774 99.382 -175.739 -121.905 -106.774 -121.904 -113.14 GPRESSURE: 3610000 -244.079 43.7356 -36.835 97.3791 -238.008 -104.883 -56.8627 -61.1425 -74.184 PRESSAVG: 3610000 69.2499 -29.2012 19.5852 -29.2012 -12.2589 -18.5034 19.5852 -18.5033 17.9277 GPRESSAVG: 3610000 68.5117 -27.8074 19.9708 -30.981 -12.4341 -18.972 17.8694 -18.1592 18.6525 TIMING: 3610000 CPU: 11407.4, 0.00318237/step Wall: 11407.4, 0.00318237/step, 1.22875 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: 3610000 3937.0941 20637.4154 14534.5188 258.4551 -203198.0629 2363.9955 0.0000 0.0000 52209.4141 -109257.1698 300.0482 -161466.5839 -108897.3597 299.4539 -215.5266 -185.4236 764309.6530 24.9729 24.9100 PRESSURE: 3610200 -62.5508 -54.997 -24.5714 -54.9973 -330.208 -12.6512 -24.571 -12.6492 -218.426 GPRESSURE: 3610200 -75.0649 -6.61605 -90.7125 -189.041 -294.853 -84.8462 -155.95 53.4335 -173.83 PRESSAVG: 3610200 28.4575 -50.8122 30.0909 -50.8123 -47.0022 -24.0874 30.091 -24.0873 -4.01266 GPRESSAVG: 3610200 27.0233 -53.1792 29.0705 -50.07 -46.1198 -25.1727 32.6347 -23.5688 -3.39497 TIMING: 3610200 CPU: 11408.1, 0.00320367/step Wall: 11408.1, 0.00320367/step, 1.2368 hours remaining, 236.898438 MB of memory in use. ENERGY: 3610200 3993.6207 20526.4215 14448.5857 244.8061 -202931.1045 2126.3735 0.0000 0.0000 52059.7323 -109531.5648 299.1880 -161591.2971 -109166.9554 298.8732 -203.7282 -181.2492 761997.2280 -7.5191 -7.4972 PRESSURE: 3610400 71.762 -32.2196 -235.839 -32.22 -45.8168 227.178 -235.839 227.179 31.917 GPRESSURE: 3610400 97.6686 -17.5727 -213.055 12.0165 46.2939 168.007 -211.19 280.624 -0.366927 PRESSAVG: 3610400 -39.4474 1.24843 6.64974 1.24845 54.1402 47.4481 6.64984 47.4481 -6.31851 GPRESSAVG: 3610400 -36.8454 4.72891 6.44953 1.73501 53.2526 50.0972 5.96121 46.1476 -7.94306 TIMING: 3610400 CPU: 11408.7, 0.00319881/step Wall: 11408.7, 0.00319881/step, 1.23474 hours remaining, 236.898438 MB of memory in use. ENERGY: 3610400 3999.4216 20554.2017 14502.7841 270.3127 -203102.7653 2457.8145 0.0000 0.0000 51665.2210 -109653.0098 296.9207 -161318.2307 -109299.3698 298.4490 19.2874 47.8652 763017.9312 2.7914 2.8214 PRESSURE: 3610600 -300.328 -132.767 -215.588 -132.767 -232.666 -170.756 -215.588 -170.755 -86.4036 GPRESSURE: 3610600 -335.666 -96.0097 -153.392 -186.741 -204.98 -77.4458 -133.248 -251.227 7.2568 PRESSAVG: 3610600 -19.8624 28.1955 3.13656 28.1954 -0.330399 59.1514 3.1366 59.1515 1.28062 GPRESSAVG: 3610600 -20.7421 27.7478 3.6212 27.3043 -0.424098 57.8438 2.61736 59.9077 2.07344 TIMING: 3610600 CPU: 11409.3, 0.00318141/step Wall: 11409.3, 0.00318141/step, 1.22785 hours remaining, 236.968750 MB of memory in use. ENERGY: 3610600 3981.7761 20417.4647 14480.7161 247.2807 -203198.2871 2480.4126 0.0000 0.0000 51925.2940 -109665.3429 298.4154 -161590.6369 -109297.8118 298.7316 -206.4657 -177.7962 762038.3365 -6.3040 -6.3643 PRESSURE: 3610800 -412.803 72.2699 121.312 72.2692 -135.708 253.274 121.312 253.274 -19.9911 GPRESSURE: 3610800 -375.818 -49.1802 171.596 90.8758 -115.088 276.686 163.978 284.986 21.0327 PRESSAVG: 3610800 18.6342 -24.0348 7.16632 -24.0348 26.2169 34.4417 7.1663 34.4416 3.393 GPRESSAVG: 3610800 18.1924 -26.4422 7.1993 -21.5586 26.6698 34.1867 5.48228 36.6809 2.94704 TIMING: 3610800 CPU: 11410, 0.00314929/step Wall: 11410, 0.00314929/step, 1.21528 hours remaining, 236.968750 MB of memory in use. ENERGY: 3610800 4019.0575 20507.1373 14506.4842 246.9448 -203242.4900 2409.6070 0.0000 0.0000 51762.7365 -109790.5227 297.4812 -161553.2592 -109434.0803 298.8281 -189.5008 -156.6243 759657.3063 16.0814 15.9364 PRESSURE: 3611000 -255.884 -111.414 69.6541 -111.415 -57.8473 185.415 69.6539 185.415 -229.091 GPRESSURE: 3611000 -186.295 -77.8078 145.378 -65.4702 -83.8095 214.749 -40.8791 76.6145 -195.903 PRESSAVG: 3611000 -28.6465 -1.18393 5.63311 -1.1838 -3.18134 26.026 5.63317 26.0259 14.4868 GPRESSAVG: 3611000 -28.3922 0.2703 5.34944 -3.71154 -2.94734 27.4145 5.24335 23.2098 14.0943 TIMING: 3611000 CPU: 11410.6, 0.00315884/step Wall: 11410.6, 0.00315884/step, 1.21878 hours remaining, 236.968750 MB of memory in use. ENERGY: 3611000 3944.3827 20457.3776 14524.4662 261.0350 -203964.0519 2660.4705 0.0000 0.0000 52046.6352 -110069.6848 299.1127 -162116.3200 -109705.1528 298.7839 -180.9408 -155.3360 760968.8006 -5.7803 -5.7484 PRESSURE: 3611200 297.954 -134.803 -25.7056 -134.803 70.2632 65.4438 -25.7055 65.4433 -135.001 GPRESSURE: 3611200 242.272 -47.7978 -39.6088 -190.527 154.483 -43.8582 -7.19651 24.1804 -67.9311 PRESSAVG: 3611200 43.8561 -44.7855 -32.8651 -44.7854 -24.6827 39.5301 -32.8651 39.53 16.6067 GPRESSAVG: 3611200 43.3871 -43.8425 -33.4756 -44.6749 -25.7636 36.419 -30.7848 40.2852 18.6087 TIMING: 3611200 CPU: 11411.2, 0.00314731/step Wall: 11411.2, 0.00314731/step, 1.21416 hours remaining, 236.968750 MB of memory in use. ENERGY: 3611200 4032.8161 20403.5558 14432.0226 241.9030 -204142.9453 3065.6375 0.0000 0.0000 51910.5153 -110056.4950 298.3304 -161967.0104 -109703.0525 297.9165 77.7387 109.6078 759569.3010 11.9267 12.0774 PRESSURE: 3611400 -4.97529 -173.312 -424.265 -173.311 -95.9409 -241.302 -424.265 -241.302 -10.3991 GPRESSURE: 3611400 -15.47 -129.413 -492.513 -224.475 -82.4142 -223 -322.966 -213.586 69.7755 PRESSAVG: 3611400 29.7843 -20.3904 18.097 -20.3905 -28.6793 21.7242 18.0969 21.7241 -11.0715 GPRESSAVG: 3611400 30.6127 -21.6921 19.0025 -19.6781 -27.2771 22.8806 18.3373 21.6479 -13.5249 TIMING: 3611400 CPU: 11411.9, 0.00314711/step Wall: 11411.9, 0.00314711/step, 1.21391 hours remaining, 236.968750 MB of memory in use. ENERGY: 3611400 3928.3578 20417.5318 14480.1494 243.5583 -203895.1113 2845.1082 0.0000 0.0000 52101.0137 -109879.3921 299.4252 -161980.4058 -109516.8720 298.5231 -37.1051 -9.3695 760449.3509 -3.3221 -3.3964 PRESSURE: 3611600 -14.0916 36.9101 -106.179 36.9109 -9.00828 127.071 -106.179 127.072 76.1399 GPRESSURE: 3611600 122.014 166.503 -35.7142 -43.9103 -11.7011 17.7944 -146.845 -31.2921 31.5085 PRESSAVG: 3611600 42.022 28.9648 -36.2002 28.9648 1.12522 30.4467 -36.2001 30.4467 4.89642 GPRESSAVG: 3611600 41.6916 30.4146 -36.9736 28.0165 0.197591 30.2589 -37.2998 27.8025 6.53595 TIMING: 3611600 CPU: 11412.5, 0.00314929/step Wall: 11412.5, 0.00314929/step, 1.21458 hours remaining, 236.968750 MB of memory in use. ENERGY: 3611600 4079.7366 20333.8661 14457.3278 252.6136 -203687.3869 2882.3154 0.0000 0.0000 51827.2992 -109854.2281 297.8522 -161681.5273 -109494.4693 298.2751 17.6800 47.2737 760887.9463 16.0145 16.1417 PRESSURE: 3611800 46.9447 -152.84 245.328 -152.84 -352.613 -274.769 245.328 -274.77 -116.587 GPRESSURE: 3611800 92.4554 -104.413 233.215 -71.0098 -349.464 -154.737 221.835 -87.9469 -96.3859 PRESSAVG: 3611800 62.5067 -21.8197 61.1395 -21.8197 -19.7008 4.34421 61.1395 4.34421 -10.047 GPRESSAVG: 3611800 61.77 -22.1977 59.4684 -19.6856 -18.7592 5.29519 63.0326 7.10884 -10.2138 TIMING: 3611800 CPU: 11413.1, 0.00315059/step Wall: 11413.1, 0.00315059/step, 1.2149 hours remaining, 236.968750 MB of memory in use. ENERGY: 3611800 3994.4725 20354.4130 14353.7651 233.8324 -203533.2550 2615.6964 0.0000 0.0000 52036.1504 -109944.9252 299.0525 -161981.0756 -109579.4744 298.4595 -140.7517 -117.7983 760774.8708 10.9196 10.9323 PRESSURE: 3612000 -54.4121 -21.508 -41.5155 -21.5081 -6.07367 11.6311 -41.5154 11.6302 65.58 GPRESSURE: 3612000 -1.13992 -29.5598 31.1125 -68.092 36.1163 37.6054 -32.4645 -11.349 65.173 PRESSAVG: 3612000 14.6195 -37.0319 11.3359 -37.0318 1.42042 3.66103 11.3359 3.66109 0.105488 GPRESSAVG: 3612000 15.5568 -38.2562 12.5312 -37.2383 1.17094 3.63368 10.2923 3.67313 -0.559858 TIMING: 3612000 CPU: 11413.7, 0.0031649/step Wall: 11413.7, 0.0031649/step, 1.22025 hours remaining, 236.968750 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: 3612000 3979.6129 20493.1213 14356.6725 258.7210 -203264.6867 2468.1019 0.0000 0.0000 51876.2088 -109832.2483 298.1333 -161708.4571 -109470.9906 298.1491 1.6981 33.3831 760384.4832 5.3818 5.3893 PRESSURE: 3612200 17.8583 167.816 -97.8675 167.815 225.509 -156.975 -97.8674 -156.976 110.357 GPRESSURE: 3612200 -25.6769 153.196 -58.994 181.927 277.077 -94.7816 -35.5337 -164.82 174.201 PRESSAVG: 3612200 2.93666 -44.4643 7.07089 -44.4643 29.0145 25.3489 7.07092 25.3489 -23.4333 GPRESSAVG: 3612200 2.89396 -43.5701 8.71922 -46.3358 28.6517 26.8126 7.1745 23.3054 -22.7389 TIMING: 3612200 CPU: 11414.4, 0.00316423/step Wall: 11414.4, 0.00316423/step, 1.21981 hours remaining, 236.968750 MB of memory in use. ENERGY: 3612200 4018.8653 20502.7556 14438.7665 253.3606 -203375.0090 2607.9897 0.0000 0.0000 52013.6537 -109539.6176 298.9232 -161553.2713 -109178.0766 298.4515 117.9082 141.8671 762248.8316 2.8393 2.9356 LDB: ============= START OF LOAD BALANCING ============== 11426.9 LDB: ============== END OF LOAD BALANCING =============== 11426.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11426.9 LDB: ============= START OF LOAD BALANCING ============== 11427.2 LDB: Largest compute 7027 load 0.032028 is 16.4% of average load 0.195488 LDB: Average compute 0.004368 is 2.2% of average load 0.195488 LDB: TIME 11427.2 LOAD: AVG 0.195488 MAX 0.213374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 11427.2 LOAD: AVG 0.195488 MAX 0.213374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: TIME 11427.2 LOAD: AVG 0.195488 MAX 0.213374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: ============== END OF LOAD BALANCING =============== 11427.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11427.2 PRESSURE: 3612400 241.783 -100.807 98.9144 -100.807 86.1008 -67.3452 98.9157 -67.3452 -74.6807 GPRESSURE: 3612400 268.675 -109.236 155.228 -118.078 161.717 -90.0634 169.224 -42.1947 -90.5732 PRESSAVG: 3612400 -53.0697 -35.6077 3.19073 -35.6077 9.64099 -14.702 3.19068 -14.702 9.23176 GPRESSAVG: 3612400 -53.8473 -34.2099 2.26516 -35.7312 9.34137 -15.3473 4.06415 -14.5664 10.59 TIMING: 3612400 CPU: 11415, 0.00321721/step Wall: 11415, 0.00321721/step, 1.24006 hours remaining, 234.679688 MB of memory in use. ENERGY: 3612400 4031.8498 20552.0744 14469.6439 238.1952 -203374.7069 2464.2508 0.0000 0.0000 52048.7838 -109569.9089 299.1251 -161618.6927 -109206.5467 299.3622 84.4010 113.2732 760575.5035 -11.3990 -11.3053 PRESSURE: 3612600 366.705 55.1646 -153.553 55.1656 72.2544 31.4077 -153.553 31.4074 -258.938 GPRESSURE: 3612600 362.584 -9.04662 -110.921 95.9674 41.8418 9.64838 -146.334 -19.1101 -151.792 PRESSAVG: 3612600 21.4147 -28.0124 2.97173 -28.0123 -26.3726 -43.9537 2.97171 -43.9537 -24.5373 GPRESSAVG: 3612600 21.3883 -29.4385 2.75365 -27.8666 -25.7741 -45.3157 2.38247 -43.3163 -25.4918 TIMING: 3612600 CPU: 11415.6, 0.00314431/step Wall: 11415.6, 0.00314431/step, 1.21178 hours remaining, 234.882812 MB of memory in use. ENERGY: 3612600 4014.9543 20631.7089 14369.5246 257.1912 -203577.8564 2809.5304 0.0000 0.0000 51987.0087 -109507.9382 298.7701 -161494.9469 -109155.3021 299.0152 60.0069 84.2112 758954.0537 -9.8317 -9.9592 PRESSURE: 3612800 304.803 133.519 -296.627 133.518 -65.5287 -98.7924 -296.627 -98.7919 -20.7898 GPRESSURE: 3612800 265.181 235.034 -322.338 166.362 46.4746 -85.6468 -345.07 -140.31 -18.5875 PRESSAVG: 3612800 14.7733 35.587 0.612946 35.587 24.6233 -5.39823 0.612935 -5.39825 -3.52107 GPRESSAVG: 3612800 15.5707 36.3516 0.0368774 37.2815 24.8319 -4.35045 0.650539 -4.061 -4.60349 TIMING: 3612800 CPU: 11416.3, 0.00313853/step Wall: 11416.3, 0.00313853/step, 1.20938 hours remaining, 234.882812 MB of memory in use. ENERGY: 3612800 3917.7617 20490.9408 14468.5810 226.6604 -203004.2369 2205.4786 0.0000 0.0000 52044.5734 -109650.2411 299.1009 -161694.8145 -109291.0906 299.5575 72.8281 97.6894 758684.6560 11.9585 11.9331 PRESSURE: 3613000 140.637 -11.7013 156.353 -11.7019 -94.8326 -9.86151 156.352 -9.86123 393.743 GPRESSURE: 3613000 179.338 97.4934 159.947 8.52159 -115.804 53.1576 85.9069 -24.2749 464.945 PRESSAVG: 3613000 -46.2918 40.095 -1.52259 40.095 56.9544 37.8682 -1.52253 37.8683 13.5612 GPRESSAVG: 3613000 -47.1514 40.2685 -0.921042 38.5994 56.3825 39.2601 -4.86074 35.6697 14.5961 TIMING: 3613000 CPU: 11416.9, 0.00314826/step Wall: 11416.9, 0.00314826/step, 1.21295 hours remaining, 234.882812 MB of memory in use. ENERGY: 3613000 3951.7950 20362.8798 14469.2942 241.2606 -203434.8158 2751.4590 0.0000 0.0000 51931.4287 -109726.6985 298.4506 -161658.1272 -109353.1447 298.8720 146.5157 176.1596 760629.2336 8.0746 7.9424 PRESSURE: 3613200 -223.777 -80.3841 -166.237 -80.3848 -117.758 103.156 -166.236 103.157 481.653 GPRESSURE: 3613200 -177.143 -51.5105 -155.263 -88.18 -88.186 157.527 11.8258 117.57 487.003 PRESSAVG: 3613200 18.5611 18.4968 -30.3575 18.4968 -10.0116 1.56179 -30.3575 1.56179 -24.5447 GPRESSAVG: 3613200 17.4667 18.9169 -29.398 18.6565 -9.85649 0.203938 -27.5111 2.57744 -23.8638 TIMING: 3613200 CPU: 11417.5, 0.00315548/step Wall: 11417.5, 0.00315548/step, 1.21556 hours remaining, 234.882812 MB of memory in use. ENERGY: 3613200 3918.7436 20579.0004 14391.6284 261.9208 -203162.3369 2443.9388 0.0000 0.0000 51815.7787 -109751.3262 297.7860 -161567.1049 -109394.1300 298.5467 46.7062 73.8915 761713.6424 -5.3317 -5.4179 PRESSURE: 3613400 0.898142 -20.012 -175.693 -20.012 -109.35 170.695 -175.692 170.695 -233.758 GPRESSURE: 3613400 39.8063 118.896 -164.903 43.0744 -147.125 224.313 -202.656 120.19 -175.694 PRESSAVG: 3613400 12.4505 -36.0669 -24.0037 -36.0668 14.3906 47.1289 -24.0037 47.129 0.365348 GPRESSAVG: 3613400 14.1596 -36.6605 -25.3437 -34.0739 13.7402 45.4938 -24.1278 48.8182 -0.382747 TIMING: 3613400 CPU: 11418.2, 0.00315745/step Wall: 11418.2, 0.00315745/step, 1.21614 hours remaining, 234.882812 MB of memory in use. ENERGY: 3613400 4006.4077 20600.9190 14494.4893 238.7876 -203326.6314 2349.1589 0.0000 0.0000 51917.6481 -109719.2208 298.3714 -161636.8689 -109353.0938 298.8195 -114.0699 -94.3374 761273.5577 9.0688 9.1724 PRESSURE: 3613600 49.6167 168.81 -197.393 168.81 -82.2214 102.615 -197.394 102.616 -414.398 GPRESSURE: 3613600 -14.7609 209.035 -216.023 180.897 4.53712 174.897 -33.8502 33.5378 -358.863 PRESSAVG: 3613600 12.8554 -0.0429376 35.0773 -0.0429799 38.1929 35.2987 35.0772 35.2987 1.42491 GPRESSAVG: 3613600 11.4742 -0.527088 35.4086 -0.460072 38.5376 38.4991 35.4144 32.1712 2.24188 TIMING: 3613600 CPU: 11418.8, 0.00316358/step Wall: 11418.8, 0.00316358/step, 1.21833 hours remaining, 234.882812 MB of memory in use. ENERGY: 3613600 3955.3840 20562.8889 14453.4360 242.5593 -203053.7140 2357.8153 0.0000 0.0000 52149.2741 -109332.3565 299.7026 -161481.6306 -108958.6217 298.8508 -149.0008 -123.0291 762218.2344 17.4911 17.4179 PRESSURE: 3613800 -202.286 -125.518 -99.2446 -125.517 43.6985 24.4028 -99.2444 24.4016 -56.056 GPRESSURE: 3613800 -99.5625 -157.45 -128.847 -198.192 102.521 123.352 -56.5852 -38.1651 -110.413 PRESSAVG: 3613800 -1.06455 16.7563 52.4005 16.7563 -18.8783 21.0354 52.4004 21.0354 15.8395 GPRESSAVG: 3613800 -1.1884 15.941 52.4512 14.5594 -17.8743 19.4523 51.5463 20.2749 14.5537 TIMING: 3613800 CPU: 11419.4, 0.00316474/step Wall: 11419.4, 0.00316474/step, 1.2186 hours remaining, 234.882812 MB of memory in use. ENERGY: 3613800 4004.3150 20512.1430 14463.6703 239.6944 -203116.9901 2643.7194 0.0000 0.0000 51951.8404 -109301.6078 298.5679 -161253.4482 -108938.5770 299.4369 -71.5479 -35.8182 762901.4939 -1.3678 -1.5030 PRESSURE: 3614000 110.41 48.6976 77.3562 48.697 -312.943 -58.0144 77.3571 -58.015 259.613 GPRESSURE: 3614000 250.613 40.7974 84.5048 33.3993 -312.168 53.1237 14.172 -3.52935 215.889 PRESSAVG: 3614000 6.79832 -56.735 -36.4263 -56.7351 -10.665 49.2413 -36.4263 49.2413 -8.54002 GPRESSAVG: 3614000 8.57754 -55.5379 -35.6019 -54.8217 -12.3035 49.2913 -36.5578 53.6011 -8.2448 TIMING: 3614000 CPU: 11420.1, 0.00316107/step Wall: 11420.1, 0.00316107/step, 1.21701 hours remaining, 234.882812 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: 3614000 3985.0807 20566.8054 14430.5638 255.3155 -203279.3746 2627.4871 0.0000 0.0000 52280.9166 -109133.2055 300.4591 -161414.1220 -108771.4868 299.3223 19.0269 51.4449 761282.7868 -4.1356 -3.9902 PRESSURE: 3614200 179.304 30.5163 -179.056 30.5162 179.329 117.194 -179.056 117.194 438.084 GPRESSURE: 3614200 96.0529 22.1514 -158.265 120.454 367.448 231.407 -65.021 24.8576 415.793 PRESSAVG: 3614200 30.6211 -50.644 -30.879 -50.6441 3.2482 -4.31441 -30.879 -4.31439 2.35496 GPRESSAVG: 3614200 29.7162 -49.0848 -32.4463 -50.7804 3.75287 -3.74867 -28.5006 -4.37799 2.16417 TIMING: 3614200 CPU: 11420.7, 0.00316211/step Wall: 11420.7, 0.00316211/step, 1.21724 hours remaining, 234.882812 MB of memory in use. ENERGY: 3614200 3996.0241 20632.7821 14557.0787 240.5797 -203590.8330 2891.5481 0.0000 0.0000 51886.9116 -109385.9087 298.1948 -161272.8203 -109025.5928 299.6058 265.5724 293.0981 761906.1067 12.0748 11.8777 PRESSURE: 3614400 -67.9582 -197.223 152.646 -197.224 -363.188 -184.784 152.646 -184.785 -53.5815 GPRESSURE: 3614400 -97.5343 -80.5814 87.5483 -202.89 -234.156 -186.335 106.612 -115.033 -69.3323 PRESSAVG: 3614400 30.0908 -35.7623 -12.7127 -35.7623 -25.0811 4.86573 -12.7126 4.86578 -1.2249 GPRESSAVG: 3614400 29.0997 -35.6114 -12.3971 -35.557 -23.1771 4.93906 -12.9407 4.47432 -2.06108 TIMING: 3614400 CPU: 11421.3, 0.00316757/step Wall: 11421.3, 0.00316757/step, 1.21916 hours remaining, 234.882812 MB of memory in use. ENERGY: 3614400 3998.0636 20719.1165 14479.6369 255.7070 -203155.9022 2358.0160 0.0000 0.0000 51982.6009 -109362.7612 298.7447 -161345.3621 -108999.5386 299.1099 -161.5758 -133.6740 763810.6499 1.2616 1.2872 PRESSURE: 3614600 -101.303 45.7681 -58.2929 45.7659 -395.507 134.703 -58.292 134.703 -224.809 GPRESSURE: 3614600 -80.2048 -66.268 -90.844 8.20273 -375.249 71.5736 66.9764 19.6881 -148.044 PRESSAVG: 3614600 45.45 16.8397 7.37662 16.8398 2.83252 -23.8702 7.37664 -23.8702 19.409 GPRESSAVG: 3614600 46.3271 16.9891 8.62071 15.9818 1.5085 -24.8679 6.70946 -24.5538 20.2222 TIMING: 3614600 CPU: 11422, 0.00316908/step Wall: 11422, 0.00316908/step, 1.21957 hours remaining, 234.882812 MB of memory in use. ENERGY: 3614600 4018.5874 20458.0339 14377.9637 227.4318 -203454.5063 2811.5656 0.0000 0.0000 52071.6636 -109489.2605 299.2566 -161560.9240 -109123.4523 299.0281 -240.5395 -201.1661 763067.7011 22.5638 22.6859 PRESSURE: 3614800 -188.464 -211.165 -194.382 -211.165 -10.1628 34.817 -194.381 34.8169 -90.2431 GPRESSURE: 3614800 -144.503 -106.842 -228.569 -92.0871 45.3339 50.5484 -253.703 12.3079 -66.3084 PRESSAVG: 3614800 7.52049 -16.9189 -47.856 -16.9188 26.2722 11.6839 -47.8561 11.6838 -2.492 GPRESSAVG: 3614800 8.06497 -17.9216 -49.052 -15.8154 25.9586 11.8435 -46.42 11.2185 -2.93251 TIMING: 3614800 CPU: 11422.6, 0.0031533/step Wall: 11422.6, 0.0031533/step, 1.21332 hours remaining, 234.882812 MB of memory in use. ENERGY: 3614800 3969.2317 20673.6494 14465.2692 246.8527 -203662.5888 2929.1335 0.0000 0.0000 51988.2388 -109390.2136 298.7771 -161378.4524 -109042.1440 299.2325 -96.2899 -55.1591 761569.4268 10.4336 10.3637 PRESSURE: 3615000 116.215 80.6443 253.833 80.6444 60.703 125.904 253.833 125.905 76.1547 GPRESSURE: 3615000 134.612 72.487 224.44 57.5828 82.9523 160.152 184.044 93.2658 121.731 PRESSAVG: 3615000 -13.4389 -26.9289 23.3703 -26.9289 22.0158 -33.0435 23.3702 -33.0435 -21.0001 GPRESSAVG: 3615000 -13.4297 -26.4061 24.1014 -27.6327 21.4325 -33.7928 20.6213 -32.4995 -20.5198 TIMING: 3615000 CPU: 11423.2, 0.00316448/step Wall: 11423.2, 0.00316448/step, 1.21745 hours remaining, 234.882812 MB of memory in use. ENERGY: 3615000 3938.2832 20554.5018 14475.3079 242.2934 -203240.3804 2452.2777 0.0000 0.0000 52189.7067 -109388.0096 299.9350 -161577.7164 -109017.1405 299.6913 84.3577 113.0986 762245.1111 -4.1411 -4.1723 PRESSURE: 3615200 -137.814 -45.7118 -104.224 -45.7119 -193.562 270.763 -104.223 270.763 335.818 GPRESSURE: 3615200 -130.751 79.8405 -47.1308 -15.0776 -94.8027 285.557 -114.839 241.779 315.242 PRESSAVG: 3615200 11.606 40.1807 -6.39121 40.1808 -28.1049 2.6136 -6.39126 2.61357 10.1327 GPRESSAVG: 3615200 11.7424 40.9104 -6.39212 40.5424 -27.9516 2.73963 -3.80783 3.50389 9.677 TIMING: 3615200 CPU: 11423.9, 0.00316906/step Wall: 11423.9, 0.00316906/step, 1.21903 hours remaining, 234.882812 MB of memory in use. ENERGY: 3615200 3963.2597 20537.7174 14464.4827 243.7877 -203144.3385 2333.9762 0.0000 0.0000 52075.2037 -109525.9110 299.2769 -161601.1148 -109164.1090 299.0942 1.4808 29.8960 762593.9098 -2.1221 -2.1774 PRESSURE: 3615400 186.204 246.8 164.171 246.799 221.648 61.2081 164.171 61.2065 -329.272 GPRESSURE: 3615400 227.896 221.409 197.833 271.446 262.838 118.905 87.4055 40.8834 -344.201 PRESSAVG: 3615400 -25.9327 28.1025 30.005 28.1025 29.5967 78.1981 30.005 78.1981 -7.29521 GPRESSAVG: 3615400 -26.2914 26.6081 28.621 26.6736 28.4477 78.9578 30.8104 79.9031 -5.66716 TIMING: 3615400 CPU: 11424.5, 0.00316298/step Wall: 11424.5, 0.00316298/step, 1.21652 hours remaining, 234.882812 MB of memory in use. ENERGY: 3615400 3946.2191 20599.1750 14474.5013 233.5527 -203800.5881 2787.0735 0.0000 0.0000 52072.3558 -109687.7108 299.2605 -161760.0665 -109322.0423 299.2406 26.1936 48.8444 760306.5987 -1.2104 -1.1703 PRESSURE: 3615600 359.344 53.7081 -7.86099 53.7084 -148.627 113.78 -7.86125 113.781 -137.38 GPRESSURE: 3615600 352.601 -71.5026 -33.9117 103.14 -125.905 67.5883 29.2108 71.6707 -67.3494 PRESSAVG: 3615600 25.7386 -1.64564 27.6812 -1.64562 1.0144 23.8222 27.6812 23.8222 -26.8617 GPRESSAVG: 3615600 25.1856 -3.85969 30.0983 -0.164355 2.83503 23.2421 26.3091 22.9192 -27.6687 TIMING: 3615600 CPU: 11425.1, 0.00316408/step Wall: 11425.1, 0.00316408/step, 1.21676 hours remaining, 234.882812 MB of memory in use. ENERGY: 3615600 3969.1144 20533.2684 14496.1188 222.6872 -203216.5214 2379.5857 0.0000 0.0000 51983.3789 -109632.3681 298.7492 -161615.7469 -109264.6759 298.5282 24.4456 53.1156 761901.4493 -0.0362 0.1173 PRESSURE: 3615800 198.492 -261.59 -77.4119 -261.591 14.8094 -98.455 -77.4114 -98.4566 -34.4953 GPRESSURE: 3615800 121.715 -164.491 -57.4577 -233.658 117.584 -126.166 21.6661 -19.2895 51.2729 PRESSAVG: 3615800 -19.3731 -20.4676 -2.57426 -20.4676 25.1498 55.1047 -2.57429 55.1048 -3.1738 GPRESSAVG: 3615800 -19.5843 -17.0312 -4.32204 -20.3933 25.2045 54.7488 -3.10312 53.3356 -2.98181 TIMING: 3615800 CPU: 11425.8, 0.0031554/step Wall: 11425.8, 0.0031554/step, 1.21325 hours remaining, 234.882812 MB of memory in use. ENERGY: 3615800 4062.7795 20544.6277 14466.7492 253.7971 -203864.0946 2976.6700 0.0000 0.0000 52116.8144 -109442.6566 299.5160 -161559.4710 -109078.0274 298.9140 59.6022 96.8575 763859.5943 0.8676 0.8795 PRESSURE: 3616000 -619.648 -20.5155 95.1301 -20.5159 -388.797 102.98 95.1305 102.979 -340.4 GPRESSURE: 3616000 -555.754 -111.914 2.43242 19.8338 -336.166 106.947 6.18277 249.064 -395.779 PRESSAVG: 3616000 -0.51207 20.5602 22.0322 20.5602 -28.1255 -46.1406 22.0322 -46.1405 -10.4649 GPRESSAVG: 3616000 0.405607 18.9959 21.8813 20.5258 -28.0389 -47.3097 22.9571 -44.2054 -10.2416 TIMING: 3616000 CPU: 11426.4, 0.0031509/step Wall: 11426.4, 0.0031509/step, 1.21135 hours remaining, 234.882812 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: 3616000 4076.0736 20548.4057 14390.2795 230.8527 -203332.1271 2332.9990 0.0000 0.0000 52199.4765 -109554.0400 299.9911 -161753.5165 -109186.9979 299.0595 -449.6146 -429.2332 764448.2203 -13.0341 -12.6250 PRESSURE: 3616200 -15.1178 -110.816 -101.094 -110.816 -201.533 -113.986 -101.094 -113.986 184.091 GPRESSURE: 3616200 -33.0124 -40.7529 -192.575 -99.2993 -166.563 -153.263 -70.9828 -181.154 255.036 PRESSAVG: 3616200 -24.5002 12.1392 -15.9789 12.1391 37.5288 0.643374 -15.9789 0.643419 -19.3958 GPRESSAVG: 3616200 -23.6691 11.557 -16.0389 11.5391 37.3187 1.52782 -17.2721 0.297853 -19.907 TIMING: 3616200 CPU: 11427, 0.00314619/step Wall: 11427, 0.00314619/step, 1.20936 hours remaining, 234.882812 MB of memory in use. ENERGY: 3616200 3899.1050 20555.7978 14445.7974 246.3970 -203594.4057 2886.8769 0.0000 0.0000 52228.8151 -109331.6165 300.1597 -161560.4317 -108965.9709 299.4912 -10.8531 18.4869 763464.1729 -2.1224 -2.0858 LDB: ============= START OF LOAD BALANCING ============== 11439.6 LDB: ============== END OF LOAD BALANCING =============== 11439.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11439.6 LDB: ============= START OF LOAD BALANCING ============== 11439.9 LDB: Largest compute 7027 load 0.032168 is 16.4% of average load 0.195612 LDB: Average compute 0.004371 is 2.2% of average load 0.195612 LDB: TIME 11439.9 LOAD: AVG 0.195612 MAX 0.218129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 11439.9 LOAD: AVG 0.195612 MAX 0.218129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 11439.9 LOAD: AVG 0.195612 MAX 0.218129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 11439.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11439.9 PRESSURE: 3616400 -217.02 -238.353 135.946 -238.353 -120.461 -190.971 135.945 -190.971 -230.202 GPRESSURE: 3616400 -159.487 -194.882 172.171 -178.619 -101.87 -71.5577 249.425 -264.35 -202.005 PRESSAVG: 3616400 -40.2599 -38.4161 -19.2793 -38.4161 50.3308 -51.7318 -19.2793 -51.7318 3.00081 GPRESSAVG: 3616400 -39.7986 -38.4461 -19.1735 -38.9445 49.7686 -51.3379 -16.8383 -49.7908 3.05777 TIMING: 3616400 CPU: 11427.7, 0.0032131/step Wall: 11427.7, 0.0032131/step, 1.2349 hours remaining, 236.425781 MB of memory in use. ENERGY: 3616400 4065.7999 20370.2321 14486.2924 246.0764 -203387.9598 2755.5881 0.0000 0.0000 52122.0280 -109341.9429 299.5460 -161463.9709 -108979.5755 299.5690 -189.2278 -154.4537 763174.0658 4.3572 4.3426 PRESSURE: 3616600 44.1431 -82.4177 -301.925 -82.4176 28.0443 64.1895 -301.925 64.1899 311.923 GPRESSURE: 3616600 49.502 -198.229 -299.658 -85.3411 127.271 83.5902 -156.428 -30.5444 303.123 PRESSAVG: 3616600 3.48628 -49.6107 -4.4336 -49.6107 28.9013 -58.4882 -4.43351 -58.4882 -20.3966 GPRESSAVG: 3616600 2.78616 -48.4815 -4.79152 -48.1638 28.8506 -57.7075 -5.0368 -60.6914 -19.7649 TIMING: 3616600 CPU: 11428.3, 0.00314699/step Wall: 11428.3, 0.00314699/step, 1.20932 hours remaining, 236.425781 MB of memory in use. ENERGY: 3616600 3925.5937 20512.7928 14425.9266 234.6932 -203344.2116 2783.4208 0.0000 0.0000 52159.1258 -109302.6589 299.7592 -161461.7846 -108943.6772 299.7161 128.0367 159.9651 758867.7054 3.9970 3.9573 PRESSURE: 3616800 361.39 -40.45 82.6882 -40.4493 -109.159 35.4326 82.6877 35.4326 284.391 GPRESSURE: 3616800 380.993 -56.2359 148.189 16.7061 -72.1075 -17.5271 -3.51777 24.9541 319.708 PRESSAVG: 3616800 46.0877 -73.959 2.38589 -73.9589 -41.8505 -24.1102 2.38591 -24.1102 32.4808 GPRESSAVG: 3616800 46.4415 -76.2341 3.2952 -74.4295 -41.5739 -25.3507 0.380945 -24.3425 32.395 TIMING: 3616800 CPU: 11428.9, 0.00314587/step Wall: 11428.9, 0.00314587/step, 1.20871 hours remaining, 236.683594 MB of memory in use. ENERGY: 3616800 3911.0994 20427.6378 14421.4324 275.7830 -203063.8686 2654.5519 0.0000 0.0000 52274.6317 -109098.7324 300.4230 -161373.3641 -108733.1496 299.8697 178.8739 209.5311 760823.0800 12.2393 12.4209 PRESSURE: 3617000 -286.668 -105.203 -310.789 -105.201 -382.58 -172.484 -310.789 -172.484 147.425 GPRESSURE: 3617000 -302.24 -56.1646 -280.26 -261.188 -244.696 -163.431 -240.532 -40.681 105.143 PRESSAVG: 3617000 17.8961 -25.5966 4.78705 -25.5966 -21.6163 -53.9577 4.78708 -53.9577 2.65101 GPRESSAVG: 3617000 16.909 -21.2631 4.92324 -27.5656 -20.6081 -52.9028 3.79908 -55.2527 2.32174 TIMING: 3617000 CPU: 11429.6, 0.00315223/step Wall: 11429.6, 0.00315223/step, 1.21098 hours remaining, 236.753906 MB of memory in use. ENERGY: 3617000 4061.9709 20387.5816 14407.6882 231.4373 -202429.3003 2085.7413 0.0000 0.0000 52203.3741 -109051.5068 300.0135 -161254.8810 -108682.7574 299.7399 -173.9409 -147.2643 762026.0510 -0.3564 -0.4591 PRESSURE: 3617200 -29.5996 -117.997 54.0198 -117.998 -273.745 -227.895 54.019 -227.893 -346.635 GPRESSURE: 3617200 55.347 -89.62 36.6201 -133.228 -206.807 -130.254 -8.63688 -255.164 -387.216 PRESSAVG: 3617200 50.0479 -69.1733 22.1177 -69.1733 -23.9265 -61.2447 22.1177 -61.2447 -8.32585 GPRESSAVG: 3617200 52.4007 -70.1473 21.4687 -68.0484 -25.4371 -60.879 22.3143 -60.0285 -8.87302 TIMING: 3617200 CPU: 11430.2, 0.00314182/step Wall: 11430.2, 0.00314182/step, 1.20681 hours remaining, 236.753906 MB of memory in use. ENERGY: 3617200 3976.3596 20451.6560 14453.2332 266.1061 -203081.2007 2555.2344 0.0000 0.0000 52316.0752 -109062.5363 300.6612 -161378.6115 -108695.7014 299.8205 -216.6598 -179.5585 761754.5436 5.9318 6.0302 PRESSURE: 3617400 341.4 -120.379 214.814 -120.378 418.886 154.066 214.814 154.066 57.3402 GPRESSURE: 3617400 418.275 -113.987 152.184 -124.307 373.393 140.263 169.63 118.09 97.9634 PRESSAVG: 3617400 18.618 -35.3858 45.309 -35.3858 11.3541 -14.9513 45.3091 -14.9514 13.2352 GPRESSAVG: 3617400 17.3974 -34.0688 44.6337 -36.589 11.683 -15.9032 48.3497 -13.5006 14.3386 TIMING: 3617400 CPU: 11430.8, 0.00313316/step Wall: 11430.8, 0.00313316/step, 1.20331 hours remaining, 236.753906 MB of memory in use. ENERGY: 3617400 3863.8998 20568.1641 14462.6903 254.2100 -203134.6694 2531.9840 0.0000 0.0000 52387.9829 -109065.7384 301.0745 -161453.7213 -108699.2857 299.8740 272.5420 296.5438 760421.9715 14.4024 14.4730 PRESSURE: 3617600 -96.8409 160.669 175.25 160.669 -303.338 72.7279 175.25 72.7281 239.059 GPRESSURE: 3617600 -96.4675 191.958 157.979 164.308 -242.12 104.58 52.4585 98.6807 229.246 PRESSAVG: 3617600 3.28319 -48.5543 -23.5234 -48.5544 -10.8986 -31.0502 -23.5234 -31.0501 -18.5061 GPRESSAVG: 3617600 2.84908 -52.3584 -23.5274 -47.8291 -9.32141 -30.413 -25.8191 -33.9336 -19.9654 TIMING: 3617600 CPU: 11431.4, 0.00314752/step Wall: 11431.4, 0.00314752/step, 1.20865 hours remaining, 236.753906 MB of memory in use. ENERGY: 3617600 3952.2996 20464.1848 14524.5330 247.2747 -203222.3388 2563.4992 0.0000 0.0000 52057.3310 -109413.2163 299.1742 -161470.5474 -109048.9688 299.1620 -53.7069 -36.4472 761874.8060 -8.7072 -8.8126 PRESSURE: 3617800 -316.079 -157.523 100.95 -157.524 91.0993 -177.394 100.95 -177.394 234.131 GPRESSURE: 3617800 -211.983 -180.323 75.9008 -183.442 150.862 -173.973 53.2366 -129.156 163.43 PRESSAVG: 3617800 39.521 -42.0408 -3.00513 -42.0408 -38.0289 -7.9279 -3.0051 -7.92794 12.6755 GPRESSAVG: 3617800 39.693 -40.7369 -3.14148 -42.7441 -39.1523 -8.5925 -2.53526 -6.16584 14.0184 TIMING: 3617800 CPU: 11432.1, 0.00314815/step Wall: 11432.1, 0.00314815/step, 1.20872 hours remaining, 236.753906 MB of memory in use. ENERGY: 3617800 3909.9387 20492.4616 14409.9315 240.4044 -203476.9579 2932.3064 0.0000 0.0000 52070.5356 -109421.3797 299.2501 -161491.9153 -109055.6529 299.0010 3.0503 34.1029 762589.6017 4.7225 4.8530 PRESSURE: 3618000 -233.434 -168.243 -44.2806 -168.243 -129.15 -129.881 -44.281 -129.88 62.6082 GPRESSURE: 3618000 -252.926 -116.423 -22.0508 -166.338 -42.6112 -57.8556 -30.0288 -60.1867 91.7661 PRESSAVG: 3618000 -13.3479 -43.6047 40.1438 -43.6046 5.6239 13.7967 40.1438 13.7967 7.99406 GPRESSAVG: 3618000 -14.0816 -42.9051 39.4114 -43.6874 5.54835 13.8071 39.9083 14.2307 8.6163 TIMING: 3618000 CPU: 11432.7, 0.003139/step Wall: 11432.7, 0.003139/step, 1.20503 hours remaining, 236.765625 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: 3618000 3998.6821 20428.0765 14461.4716 236.7362 -202813.7005 2279.0619 0.0000 0.0000 51962.1871 -109447.4851 298.6274 -161409.6723 -109085.5534 299.1224 -99.9919 -67.9238 761873.0717 0.0900 0.0277 PRESSURE: 3618200 62.4499 60.9448 -86.8093 60.9451 -161.847 -62.2875 -86.8092 -62.287 294.224 GPRESSURE: 3618200 174.704 8.4252 -110.672 104.904 -161.144 9.9586 -99.2083 -197.19 304.035 PRESSAVG: 3618200 0.515975 -18.0086 -6.388 -18.0086 5.20211 -13.0234 -6.38794 -13.0234 18.4983 GPRESSAVG: 3618200 0.743379 -17.6128 -5.57551 -17.8928 6.14188 -11.8876 -5.74298 -14.1819 17.5085 TIMING: 3618200 CPU: 11433.3, 0.00315259/step Wall: 11433.3, 0.00315259/step, 1.21007 hours remaining, 236.765625 MB of memory in use. ENERGY: 3618200 4037.1723 20523.3420 14394.5347 239.2327 -203411.7671 2837.0095 0.0000 0.0000 51974.4935 -109405.9825 298.6981 -161380.4760 -109055.8228 299.0033 64.9424 105.8651 761913.7363 8.0721 8.1313 PRESSURE: 3618400 -6.18415 79.9187 100.76 79.9184 -78.345 -134.274 100.76 -134.274 -22.6706 GPRESSURE: 3618400 -27.8372 -46.9546 145.132 51.265 14.3605 -85.1868 50.5362 -41.986 -5.99114 PRESSAVG: 3618400 -36.4803 -45.7409 15.743 -45.7408 30.7177 -54.3891 15.7431 -54.3891 -0.219564 GPRESSAVG: 3618400 -36.8373 -45.4906 15.1832 -45.914 31.0442 -55.9033 14.1123 -52.8469 0.301201 TIMING: 3618400 CPU: 11434, 0.00314607/step Wall: 11434, 0.00314607/step, 1.20739 hours remaining, 236.765625 MB of memory in use. ENERGY: 3618400 4059.1979 20425.4044 14434.0460 247.0906 -203471.6810 2780.6167 0.0000 0.0000 52264.1789 -109261.1464 300.3630 -161525.3253 -108903.3965 299.5048 -35.7332 -6.4893 761645.6457 -1.9940 -1.8306 PRESSURE: 3618600 -184.466 -1.56998 17.4835 -1.57028 -317.56 -87.3056 17.4839 -87.3046 -430.666 GPRESSURE: 3618600 -277.711 -25.7628 39.9646 53.1554 -235.724 -237.207 152.981 -150.925 -348.147 PRESSAVG: 3618600 -24.6443 6.63423 0.797307 6.63414 33.0632 -79.0989 0.79728 -79.0989 -26.5973 GPRESSAVG: 3618600 -23.9619 5.35119 1.76699 9.16063 32.5494 -78.2441 1.74424 -78.3144 -27.0837 TIMING: 3618600 CPU: 11434.6, 0.00314805/step Wall: 11434.6, 0.00314805/step, 1.20798 hours remaining, 236.765625 MB of memory in use. ENERGY: 3618600 3982.9243 20665.3887 14403.1641 268.4279 -202392.0358 1852.5410 0.0000 0.0000 51819.8452 -109399.7447 297.8094 -161219.5899 -109034.1297 298.9959 -310.8974 -287.1940 761501.3466 -6.0595 -6.1654 PRESSURE: 3618800 375.951 -45.2385 176.508 -45.238 -105.108 285.697 176.508 285.696 -382.684 GPRESSURE: 3618800 404.011 -59.5515 179.143 14.4674 -75.846 219.795 198.463 305.417 -372.349 PRESSAVG: 3618800 -28.7966 -26.6832 -3.52638 -26.6832 17.5613 -29.5992 -3.52635 -29.5992 -5.28617 GPRESSAVG: 3618800 -28.5249 -26.6139 -3.83769 -29.202 16.2961 -30.9509 -2.97371 -31.4109 -3.86829 TIMING: 3618800 CPU: 11435.2, 0.00315915/step Wall: 11435.2, 0.00315915/step, 1.21206 hours remaining, 236.765625 MB of memory in use. ENERGY: 3618800 4061.6101 20596.1787 14428.6776 263.9174 -203407.4481 2512.7180 0.0000 0.0000 52115.3151 -109429.0312 299.5074 -161544.3463 -109059.1564 299.0457 -37.2803 -14.7281 760705.2611 -5.5072 -5.3657 PRESSURE: 3619000 -446.309 72.5183 -45.976 72.518 -136.832 -8.29226 -45.9754 -8.29112 -116.941 GPRESSURE: 3619000 -376.642 -79.0965 -115.898 18.0155 -120.969 -39.9409 -34.0873 64.8454 -107.59 PRESSAVG: 3619000 28.9084 33.0094 28.2114 33.0093 -17.6422 -45.1529 28.2114 -45.1529 0.0196347 GPRESSAVG: 3619000 27.9461 34.4469 29.6735 35.0586 -15.4276 -45.9181 27.2951 -43.7086 -0.999168 TIMING: 3619000 CPU: 11435.8, 0.00314127/step Wall: 11435.8, 0.00314127/step, 1.20502 hours remaining, 236.765625 MB of memory in use. ENERGY: 3619000 4053.5440 20806.1277 14434.6280 232.5383 -202876.2891 2206.8636 0.0000 0.0000 51829.0717 -109313.5157 297.8624 -161142.5874 -108958.9349 299.2483 -233.3606 -201.7333 761735.3736 3.7619 3.8398 PRESSURE: 3619200 10.5813 -6.52896 220.914 -6.52767 120.518 -46.2281 220.913 -46.2294 122.656 GPRESSURE: 3619200 58.5938 18.736 164.112 178.969 153.895 0.806588 234.815 -103.686 133.852 PRESSAVG: 3619200 -35.7311 -3.96193 -33.7787 -3.96187 21.7465 -65.0227 -33.7787 -65.0227 29.4603 GPRESSAVG: 3619200 -33.8969 -4.09437 -36.5368 -3.74882 19.6455 -63.7528 -32.1362 -65.8623 29.9603 TIMING: 3619200 CPU: 11436.5, 0.00314451/step Wall: 11436.5, 0.00314451/step, 1.20609 hours remaining, 236.765625 MB of memory in use. ENERGY: 3619200 3951.6141 20473.9806 14365.9873 253.8390 -203148.5227 2534.5039 0.0000 0.0000 52115.9187 -109452.6792 299.5109 -161568.5978 -109087.2504 298.7426 84.5853 115.4469 758115.6710 5.1586 5.2363 PRESSURE: 3619400 3.80263 37.6619 -200.528 37.6607 162.74 16.3029 -200.528 16.3038 416.062 GPRESSURE: 3619400 19.7944 83.971 -227.071 90.6023 221.65 -75.277 -117.373 -37.1578 447.634 PRESSAVG: 3619400 -10.4833 19.3653 -18.694 19.3652 54.107 12.4774 -18.694 12.4774 -28.066 GPRESSAVG: 3619400 -9.72361 20.4308 -16.5516 18.1043 54.3517 12.2769 -18.832 12.7807 -29.1089 TIMING: 3619400 CPU: 11437.1, 0.0031458/step Wall: 11437.1, 0.0031458/step, 1.20641 hours remaining, 236.765625 MB of memory in use. ENERGY: 3619400 4031.7707 20522.5451 14406.5441 246.7259 -203351.3435 2710.8243 0.0000 0.0000 52021.0268 -109411.9067 298.9656 -161432.9334 -109053.9119 299.4716 194.2013 229.6929 759132.3796 5.1859 5.1731 PRESSURE: 3619600 186.752 176.767 -160.068 176.768 116.75 -56.7533 -160.067 -56.7547 60.7727 GPRESSURE: 3619600 184.932 33.9358 -207.497 82.8831 202.583 -110.398 -139.726 -9.12008 69.5812 PRESSAVG: 3619600 5.20686 0.335231 -46.0518 0.335263 7.95292 4.98464 -46.0518 4.98473 -2.19854 GPRESSAVG: 3619600 3.92243 0.000829493 -46.3951 0.0620835 8.79737 6.27766 -44.5117 4.45267 -1.27238 TIMING: 3619600 CPU: 11437.7, 0.00314168/step Wall: 11437.7, 0.00314168/step, 1.20466 hours remaining, 236.765625 MB of memory in use. ENERGY: 3619600 4045.1298 20376.3912 14412.5214 250.5882 -203184.7938 2626.0728 0.0000 0.0000 52119.0614 -109355.0291 299.5290 -161474.0905 -108995.4522 299.1344 121.4251 152.3653 759809.8764 3.6537 3.8158 PRESSURE: 3619800 -241.747 -201.01 26.7555 -201.01 12.8592 -48.5695 26.756 -48.57 74.5861 GPRESSURE: 3619800 -135.298 -94.7883 140.804 -238.368 -27.5396 -50.4643 13.1981 -9.90464 86.9541 PRESSAVG: 3619800 -4.5759 -16.4365 -49.1496 -16.4365 13.0431 -36.9151 -49.1496 -36.9151 25.1196 GPRESSAVG: 3619800 -3.25097 -16.1587 -48.2196 -17.2095 11.2355 -37.2333 -51.8565 -36.8103 24.8439 TIMING: 3619800 CPU: 11438.4, 0.00316613/step Wall: 11438.4, 0.00316613/step, 1.21386 hours remaining, 236.765625 MB of memory in use. ENERGY: 3619800 3987.3784 20491.7278 14342.2646 247.8477 -202927.4865 2524.7872 0.0000 0.0000 51798.8689 -109534.6118 297.6888 -161333.4807 -109175.3058 298.8712 -51.4339 -25.2944 761787.4365 11.1956 10.9428 PRESSURE: 3620000 -295.309 -144.196 -180.85 -144.196 292.605 99.3058 -180.851 99.306 -178.724 GPRESSURE: 3620000 -185.307 -94.2406 -11.9177 -161.621 215.966 39.694 -198.176 75.0803 -124.656 PRESSAVG: 3620000 45.934 -38.2338 -14.9767 -38.2338 -25.1878 36.5602 -14.9767 36.5601 -19.1823 GPRESSAVG: 3620000 44.0171 -39.0812 -16.028 -39.8037 -22.9875 35.7077 -13.421 34.2591 -19.8456 TIMING: 3620000 CPU: 11439, 0.0031634/step Wall: 11439, 0.0031634/step, 1.21264 hours remaining, 236.765625 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: 3620000 3936.1349 20490.5096 14375.2672 252.0397 -202830.9869 2479.2830 0.0000 0.0000 51872.2796 -109425.4729 298.1107 -161297.7525 -109066.7498 299.1386 -60.4762 -31.3323 764605.7518 0.5213 0.3947 PRESSURE: 3620200 -78.7581 -208.552 115.107 -208.552 58.2943 -292.247 115.107 -292.247 302.697 GPRESSURE: 3620200 14.8388 -240.518 148.213 -345.27 67.7745 -246.124 51.1557 -307.855 289.256 PRESSAVG: 3620200 15.9891 -69.1665 -58.4732 -69.1666 45.8334 6.53566 -58.4731 6.53564 7.12555 GPRESSAVG: 3620200 16.9226 -69.9892 -60.0682 -65.2742 45.2982 6.30613 -58.1023 10.6942 7.28934 TIMING: 3620200 CPU: 11439.6, 0.00315666/step Wall: 11439.6, 0.00315666/step, 1.20988 hours remaining, 236.765625 MB of memory in use. ENERGY: 3620200 4023.8085 20317.1493 14431.1852 264.0987 -203129.2370 2626.7295 0.0000 0.0000 52149.9100 -109316.3559 299.7062 -161466.2659 -108946.2306 299.2883 94.0778 123.9563 760351.7667 22.9827 23.1700 LDB: ============= START OF LOAD BALANCING ============== 11452.2 LDB: ============== END OF LOAD BALANCING =============== 11452.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11452.2 LDB: ============= START OF LOAD BALANCING ============== 11452.5 LDB: Largest compute 7075 load 0.033018 is 16.9% of average load 0.195684 LDB: Average compute 0.004363 is 2.2% of average load 0.195684 LDB: TIME 11452.5 LOAD: AVG 0.195684 MAX 0.215405 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 11452.5 LOAD: AVG 0.195684 MAX 0.215405 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: TIME 11452.5 LOAD: AVG 0.195684 MAX 0.215405 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: ============== END OF LOAD BALANCING =============== 11452.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11452.5 PRESSURE: 3620400 -129.768 -18.8399 -122.036 -18.8408 -131.91 -173.13 -122.037 -173.131 81.1766 GPRESSURE: 3620400 -91.3685 -91.443 -140.429 -94.0717 -142.737 -140.289 82.1131 -68.4933 116.763 PRESSAVG: 3620400 39.8336 -33.8285 63.7223 -33.8285 -47.6539 -11.896 63.7224 -11.896 2.43495 GPRESSAVG: 3620400 40.9171 -34.7205 65.2409 -34.6227 -48.8757 -12.8313 64.7359 -12.9864 2.36028 TIMING: 3620400 CPU: 11440.3, 0.00320125/step Wall: 11440.3, 0.00320125/step, 1.22679 hours remaining, 236.480469 MB of memory in use. ENERGY: 3620400 3975.3836 20447.7612 14467.8676 233.1156 -202529.9247 2237.9637 0.0000 0.0000 51871.8622 -109295.9707 298.1083 -161167.8329 -108936.9213 298.6924 -60.1673 -39.1140 761024.7870 -1.7951 -1.8661 PRESSURE: 3620600 212.069 59.5333 -40.7014 59.5332 -98.869 -186.796 -40.7028 -186.796 -224.875 GPRESSURE: 3620600 96.7764 163.173 -38.6822 18.1275 -38.3983 -224.565 9.85835 -358.014 -95.2638 PRESSAVG: 3620600 87.3789 -9.54582 -15.9352 -9.54579 -41.1105 -11.2598 -15.9352 -11.2598 20.68 GPRESSAVG: 3620600 85.8858 -8.01775 -16.2336 -9.64156 -39.6406 -11.0234 -14.895 -11.6293 20.5923 TIMING: 3620600 CPU: 11440.9, 0.00311963/step Wall: 11440.9, 0.00311963/step, 1.19534 hours remaining, 236.488281 MB of memory in use. ENERGY: 3620600 3988.7990 20454.1370 14479.1130 232.9954 -202873.9541 2458.6390 0.0000 0.0000 51870.5783 -109389.6924 298.1009 -161260.2707 -109039.5790 298.6798 -37.2250 -12.2953 761884.3152 22.3161 22.2792 PRESSURE: 3620800 -320.484 22.161 262.128 22.161 -160.144 -144.123 262.127 -144.123 -380.39 GPRESSURE: 3620800 -229.581 -59.4336 200.539 -32.0561 -96.9012 -174.872 297.6 -98.579 -454.503 PRESSAVG: 3620800 -15.8625 -11.8445 -9.19671 -11.8445 -30.919 17.8385 -9.19665 17.8384 3.44199 GPRESSAVG: 3620800 -15.2668 -12.659 -10.5507 -10.5199 -30.4091 18.4194 -10.2759 17.5823 2.70423 TIMING: 3620800 CPU: 11441.5, 0.00313553/step Wall: 11441.5, 0.00313553/step, 1.20126 hours remaining, 236.488281 MB of memory in use. ENERGY: 3620800 4047.0748 20292.3155 14415.1952 248.8838 -202986.1535 2289.3737 0.0000 0.0000 52126.2882 -109567.0223 299.5705 -161693.3105 -109201.9204 299.0419 -287.0061 -260.3284 760134.8662 -14.4465 -14.3239 PRESSURE: 3621000 -104.904 -144.405 56.468 -144.405 -73.7408 -7.91694 56.4683 -7.91694 -144.187 GPRESSURE: 3621000 -100.695 -88.9654 28.7471 -133.268 1.51968 38.5879 84.772 -84.5516 -148.581 PRESSAVG: 3621000 86.4535 8.90119 -25.4229 8.90117 -86.6124 17.125 -25.4229 17.125 3.3225 GPRESSAVG: 3621000 86.2899 9.65565 -24.3675 7.27645 -87.7086 18.786 -24.9186 16.4357 4.70505 TIMING: 3621000 CPU: 11442.1, 0.0031434/step Wall: 11442.1, 0.0031434/step, 1.2041 hours remaining, 236.488281 MB of memory in use. ENERGY: 3621000 3957.2197 20499.3857 14390.1136 241.7187 -202978.4318 2420.6487 0.0000 0.0000 51743.3932 -109725.9523 297.3700 -161469.3454 -109367.2659 298.5135 -107.6105 -82.5855 760645.3497 1.0545 1.0954 PRESSURE: 3621200 -219.892 -8.76679 135.636 -8.76631 12.1219 -69.011 135.637 -69.0114 -196.626 GPRESSURE: 3621200 -153.533 -21.7192 165.968 -85.7135 -14.5863 10.2458 44.7343 -30.2716 -161.628 PRESSAVG: 3621200 45.1596 -46.2306 -6.69813 -46.2305 25.3696 -34.8028 -6.69811 -34.8028 -0.556217 GPRESSAVG: 3621200 46.4894 -45.7125 -6.19476 -46.5448 25.5418 -34.9487 -7.58833 -37.3817 -2.59859 TIMING: 3621200 CPU: 11442.8, 0.0031366/step Wall: 11442.8, 0.0031366/step, 1.20132 hours remaining, 236.488281 MB of memory in use. ENERGY: 3621200 4013.9778 20468.9306 14407.7294 237.6971 -203008.6743 2172.1077 0.0000 0.0000 51882.0987 -109826.1330 298.1671 -161708.2317 -109457.3468 298.1226 -134.7987 -109.9159 759852.7070 23.3243 23.1442 PRESSURE: 3621400 -105.018 -71.3586 -107.485 -71.3587 284.521 -18.1949 -107.485 -18.195 -10.8177 GPRESSURE: 3621400 -172.781 -114.306 -113.98 -50.939 352.869 46.5458 -136.007 89.7753 72.5154 PRESSAVG: 3621400 45.0724 -41.6591 -43.8262 -41.6591 22.1695 -17.3168 -43.8262 -17.3168 13.8286 GPRESSAVG: 3621400 44.3316 -43.2315 -45.741 -41.4528 21.6858 -17.1245 -40.7409 -15.2703 15.109 TIMING: 3621400 CPU: 11443.4, 0.00312726/step Wall: 11443.4, 0.00312726/step, 1.19757 hours remaining, 236.488281 MB of memory in use. ENERGY: 3621400 4030.0301 20539.5057 14453.2819 246.7401 -203994.4318 3084.3072 0.0000 0.0000 51950.9714 -109689.5954 298.5629 -161640.5668 -109325.8032 298.2102 56.2284 84.2011 762248.4077 27.0235 27.0421 PRESSURE: 3621600 221.787 43.4572 388.29 43.4564 110.37 -10.6112 388.29 -10.6098 49.5702 GPRESSURE: 3621600 206.272 185.111 325.819 -12.4836 145.481 -169.131 368.445 22.4822 90.7997 PRESSAVG: 3621600 87.4202 -6.7582 -50.6516 -6.75824 -65.6767 -4.31494 -50.6516 -4.31492 -9.58029 GPRESSAVG: 3621600 87.3686 -4.68663 -47.6918 -5.50614 -65.0979 -4.49203 -54.0132 -4.24564 -10.2729 TIMING: 3621600 CPU: 11444, 0.00312186/step Wall: 11444, 0.00312186/step, 1.19533 hours remaining, 236.488281 MB of memory in use. ENERGY: 3621600 3926.5612 20443.8167 14541.5428 234.8280 -203032.8541 2257.0404 0.0000 0.0000 51855.5784 -109773.4865 298.0147 -161629.0649 -109406.2241 298.5735 127.2424 147.5178 761029.2485 4.0544 3.9992 PRESSURE: 3621800 -269.202 171.996 82.5759 171.996 -440.163 62.9392 82.5769 62.9392 -465.29 GPRESSURE: 3621800 -132.337 107.553 56.5082 66.4124 -396.651 24.0685 155.373 118.02 -553.453 PRESSAVG: 3621800 10.6597 26.6934 7.06254 26.6934 0.453123 -5.08545 7.06261 -5.08542 17.4096 GPRESSAVG: 3621800 10.2287 24.9164 6.56481 25.2147 0.427384 -4.70856 7.5894 -5.11249 17.6569 TIMING: 3621800 CPU: 11444.7, 0.00313592/step Wall: 11444.7, 0.00313592/step, 1.20053 hours remaining, 236.488281 MB of memory in use. ENERGY: 3621800 4033.6041 20630.5326 14409.2667 247.8215 -202991.4933 2228.2475 0.0000 0.0000 51914.8696 -109527.1514 298.3555 -161442.0210 -109170.4867 298.3513 -391.5516 -360.8138 762726.4290 9.5075 9.4376 PRESSURE: 3622000 -162.193 -75.1351 105.022 -75.1344 -98.1801 -255.64 105.021 -255.641 -96.6856 GPRESSURE: 3622000 17.9066 -69.3764 69.589 -189.881 -167.873 -186.217 -11.8351 -243.787 -122.356 PRESSAVG: 3622000 -55.8016 -40.6838 -6.57231 -40.6838 9.86494 -10.7923 -6.57219 -10.7924 -2.24416 GPRESSAVG: 3622000 -56.036 -39.4203 -6.95908 -40.2368 10.3855 -10.2142 -5.70469 -10.9174 -2.11076 TIMING: 3622000 CPU: 11445.3, 0.00313099/step Wall: 11445.3, 0.00313099/step, 1.19847 hours remaining, 236.488281 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: 3622000 3879.0835 20410.6367 14476.5123 248.6537 -203218.1209 2614.6231 0.0000 0.0000 51903.3828 -109685.2287 298.2895 -161588.6115 -109315.5622 298.2363 -119.0197 -90.7743 761610.7428 -16.0603 -15.9204 PRESSURE: 3622200 -257.08 108.72 -75.5968 108.719 -40.1844 -141.052 -75.5963 -141.051 -40.0953 GPRESSURE: 3622200 -250.861 38.7272 -130.508 109.106 56.2014 -150.512 19.9075 -91.0124 -74.5552 PRESSAVG: 3622200 46.4502 -23.9929 -35.9292 -23.993 -27.9857 29.8474 -35.9292 29.8474 -18.1477 GPRESSAVG: 3622200 45.6764 -23.6982 -36.7404 -24.8231 -27.8989 27.4613 -37.7872 30.3004 -17.6692 TIMING: 3622200 CPU: 11445.9, 0.00313328/step Wall: 11445.9, 0.00313328/step, 1.19918 hours remaining, 236.488281 MB of memory in use. ENERGY: 3622200 3926.8161 20525.2915 14400.0630 234.6373 -203389.0043 2752.2834 0.0000 0.0000 51921.3996 -109628.5134 298.3930 -161549.9129 -109262.9416 298.1103 -112.4532 -89.7382 762377.2309 0.1056 0.0361 PRESSURE: 3622400 -10.7358 -89.7747 -62.2193 -89.7744 -34.1533 141.376 -62.2196 141.376 -89.2695 GPRESSURE: 3622400 62.5453 -67.0506 -63.3109 -135.61 -4.98701 7.05564 -69.2947 114.39 -122.582 PRESSAVG: 3622400 22.1656 -16.1114 -4.06659 -16.1114 -33.3621 -48.7348 -4.06665 -48.7347 12.4174 GPRESSAVG: 3622400 22.935 -14.8418 -3.8819 -15.9768 -33.6949 -47.4292 -1.30052 -49.1337 12.2265 TIMING: 3622400 CPU: 11446.5, 0.00315466/step Wall: 11446.5, 0.00315466/step, 1.20718 hours remaining, 236.558594 MB of memory in use. ENERGY: 3622400 3938.2314 20466.9284 14510.3074 264.1825 -203158.9386 2585.5390 0.0000 0.0000 51900.1601 -109493.5899 298.2709 -161393.7499 -109141.9968 298.7408 -44.7195 -21.6747 763428.7936 0.4070 0.4889 PRESSURE: 3622600 48.0681 179.236 182.644 179.236 -264.236 122.991 182.644 122.991 -252.439 GPRESSURE: 3622600 31.923 90.3521 135.587 215.244 -156.843 37.6349 208.978 92.2076 -251.695 PRESSAVG: 3622600 6.40368 -0.495016 -13.8085 -0.494978 -4.54524 -12.7138 -13.8086 -12.7137 17.1536 GPRESSAVG: 3622600 6.7988 -2.41693 -12.7633 1.57739 -5.42409 -10.9393 -16.7198 -15.954 17.8707 TIMING: 3622600 CPU: 11447.2, 0.00314568/step Wall: 11447.2, 0.00314568/step, 1.20357 hours remaining, 236.558594 MB of memory in use. ENERGY: 3622600 3939.2820 20468.7677 14417.4411 261.9562 -203043.5256 2459.0263 0.0000 0.0000 52080.6541 -109416.3981 299.3082 -161497.0523 -109053.2601 298.7120 -156.2023 -125.5385 762134.1182 6.3374 6.4151 PRESSURE: 3622800 177.976 185.745 -64.7338 185.745 244.35 -188.648 -64.7337 -188.647 78.8138 GPRESSURE: 3622800 223.249 65.9307 -98.2837 189.612 252.075 -234.344 -121.595 -153.318 119.002 PRESSAVG: 3622800 -27.3986 31.919 -64.5375 31.919 15.861 10.713 -64.5374 10.7129 10.7898 GPRESSAVG: 3622800 -27.8071 31.6884 -64.8193 31.0266 17.2524 7.36831 -64.1318 14.261 10.6227 TIMING: 3622800 CPU: 11447.8, 0.00314661/step Wall: 11447.8, 0.00314661/step, 1.20375 hours remaining, 236.558594 MB of memory in use. ENERGY: 3622800 3952.4368 20535.3768 14458.6736 247.2318 -203439.2376 2837.9030 0.0000 0.0000 51780.9813 -109626.6343 297.5860 -161407.6156 -109276.2611 299.0274 167.0466 198.1088 761711.6063 -0.2493 0.0227 PRESSURE: 3623000 480.828 19.835 -109.254 19.8361 -144.184 -11.6281 -109.255 -11.6277 130.989 GPRESSURE: 3623000 464.312 109.389 -114.557 37.8796 -72.4357 -85.6289 -140.708 109.487 150.257 PRESSAVG: 3623000 44.3225 17.0745 -63.5033 17.0744 12.1945 -33.845 -63.5033 -33.845 36.1419 GPRESSAVG: 3623000 44.7886 17.4323 -62.285 17.2352 12.2498 -32.8047 -62.7793 -32.3263 35.4533 TIMING: 3623000 CPU: 11448.4, 0.0031454/step Wall: 11448.4, 0.0031454/step, 1.20311 hours remaining, 236.558594 MB of memory in use. ENERGY: 3623000 3981.6663 20265.1536 14470.8609 229.9488 -203191.9403 2497.4450 0.0000 0.0000 52043.5569 -109703.3087 299.0950 -161746.8657 -109341.0037 298.4971 155.8778 180.7112 759483.7578 30.8863 30.8306 PRESSURE: 3623200 -152.232 -163.983 -1.59181 -163.983 123.439 -34.0592 -1.59249 -34.0591 -294.513 GPRESSURE: 3623200 -78.1781 -134.954 56.5233 -199.961 228.807 -19.7081 -53.6914 -196.863 -378.31 PRESSAVG: 3623200 46.6365 -37.4395 14.8971 -37.4396 4.24354 14.5588 14.8972 14.5587 -2.59567 GPRESSAVG: 3623200 46.4649 -36.5487 11.5694 -39.0938 3.44204 14.9392 16.9124 11.2665 -2.07868 TIMING: 3623200 CPU: 11449.1, 0.00315088/step Wall: 11449.1, 0.00315088/step, 1.20504 hours remaining, 236.558594 MB of memory in use. ENERGY: 3623200 4030.6840 20351.5974 14531.2346 264.2623 -203282.6323 2551.5614 0.0000 0.0000 52147.2823 -109406.0103 299.6911 -161553.2926 -109046.0026 298.6092 -107.7688 -75.8940 761353.4636 16.0948 15.9427 PRESSURE: 3623400 -71.9724 66.054 -32.4583 66.0545 4.79741 166.597 -32.4583 166.596 75.213 GPRESSURE: 3623400 -37.7871 -112.72 -4.41291 130.153 20.0447 105.952 -23.8006 98.9943 115.733 PRESSAVG: 3623400 21.5462 -46.4157 23.7935 -46.4157 -22.1174 -21.6537 23.7935 -21.6536 7.43354 GPRESSAVG: 3623400 21.2411 -47.238 25.0758 -44.3395 -21.1132 -22.2987 21.5215 -20.3073 6.23699 TIMING: 3623400 CPU: 11449.7, 0.00315824/step Wall: 11449.7, 0.00315824/step, 1.20768 hours remaining, 236.558594 MB of memory in use. ENERGY: 3623400 4029.5090 20399.3141 14473.5247 264.8957 -202813.4001 2240.3339 0.0000 0.0000 52172.5672 -109233.2555 299.8365 -161405.8227 -108877.5499 299.5266 2.6794 32.6635 760582.2942 2.2875 2.1216 PRESSURE: 3623600 176.788 -18.8459 22.631 -18.8458 23.7768 372.523 22.6306 372.523 473.488 GPRESSURE: 3623600 113.298 -121.388 95.9966 14.2418 94.6637 327.411 -51.5711 394.337 540.709 PRESSAVG: 3623600 19.0792 -28.3352 -46.9029 -28.3352 -35.5579 35.6848 -46.9028 35.6848 -13.341 GPRESSAVG: 3623600 19.4449 -30.5323 -46.2275 -28.193 -36.9124 36.8503 -47.0676 35.0042 -11.9043 TIMING: 3623600 CPU: 11450.3, 0.00314643/step Wall: 11450.3, 0.00314643/step, 1.20299 hours remaining, 236.558594 MB of memory in use. ENERGY: 3623600 3984.6270 20541.8072 14454.6351 228.6435 -203243.9867 2547.1561 0.0000 0.0000 52263.0642 -109224.0536 300.3565 -161487.1177 -108872.7756 299.4695 224.6845 249.5566 760822.5732 -9.9399 -9.7906 PRESSURE: 3623800 -254.904 -163.041 166.55 -163.043 -119.03 -160.832 166.55 -160.831 38.1778 GPRESSURE: 3623800 -219.407 -149.359 74.7013 -91.83 -101.143 -54.115 100.3 -224.196 81.5832 PRESSAVG: 3623800 40.48 -24.7258 12.2654 -24.7258 -3.56153 -52.3584 12.2655 -52.3584 13.2486 GPRESSAVG: 3623800 40.3233 -22.6583 9.63855 -25.415 -2.92609 -53.1715 13.8136 -52.3839 13.0177 TIMING: 3623800 CPU: 11450.9, 0.00315381/step Wall: 11450.9, 0.00315381/step, 1.20563 hours remaining, 236.558594 MB of memory in use. ENERGY: 3623800 4013.8545 20540.0473 14426.3223 253.7809 -202883.3887 2175.6561 0.0000 0.0000 51849.2074 -109624.5202 297.9781 -161473.7276 -109262.2135 299.1454 -111.9186 -79.6558 759877.2131 16.7223 16.8050 PRESSURE: 3624000 -277.544 177.643 -325.306 177.642 -220.566 171.243 -325.306 171.244 -112.036 GPRESSURE: 3624000 -296.143 242.626 -337.712 121.42 -94.475 181.357 -274.542 173.182 -150.502 PRESSAVG: 3624000 25.6009 -43.1358 -56.8214 -43.1358 29.3726 0.6624 -56.8215 0.662408 -11.8263 GPRESSAVG: 3624000 25.5633 -43.7142 -55.1667 -41.2895 31.0339 -0.996677 -57.3627 2.2118 -13.1258 TIMING: 3624000 CPU: 11451.6, 0.0031503/step Wall: 11451.6, 0.0031503/step, 1.20411 hours remaining, 236.558594 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: 3624000 4036.8525 20265.3325 14439.0520 241.2149 -203302.4665 2859.4123 0.0000 0.0000 52059.2832 -109401.3190 299.1854 -161460.6022 -109034.3100 298.3732 -203.3817 -180.3733 761433.7456 14.3824 14.4905 PRESSURE: 3624200 -22.7246 138.523 103.933 138.522 43.0417 -111.501 103.935 -111.501 8.01195 GPRESSURE: 3624200 40.84 -25.9378 23.1211 93.68 30.2996 -143.46 213.459 -67.0115 35.1702 PRESSAVG: 3624200 1.03164 -64.498 -71.1282 -64.498 33.0661 -44.9036 -71.1281 -44.9037 14.0759 GPRESSAVG: 3624200 2.21235 -66.6735 -71.4968 -66.3855 31.5682 -43.8721 -71.6134 -47.2612 14.7489 TIMING: 3624200 CPU: 11452.2, 0.00315467/step Wall: 11452.2, 0.00315467/step, 1.20561 hours remaining, 236.558594 MB of memory in use. ENERGY: 3624200 3961.0021 20312.6274 14426.2213 248.8308 -202924.9776 2506.9482 0.0000 0.0000 51816.0780 -109653.2698 297.7877 -161469.3479 -109292.1808 298.7160 9.4430 35.4366 761504.3763 16.0579 16.1765 LDB: ============= START OF LOAD BALANCING ============== 11464.7 LDB: ============== END OF LOAD BALANCING =============== 11464.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11464.7 LDB: ============= START OF LOAD BALANCING ============== 11465.1 LDB: Largest compute 7075 load 0.032263 is 16.5% of average load 0.195647 LDB: Average compute 0.004372 is 2.2% of average load 0.195647 LDB: TIME 11465.1 LOAD: AVG 0.195647 MAX 0.215658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.828 MB LDB: TIME 11465.1 LOAD: AVG 0.195647 MAX 0.215658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.828 MB LDB: TIME 11465.1 LOAD: AVG 0.195647 MAX 0.215658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.828 MB LDB: ============== END OF LOAD BALANCING =============== 11465.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11465.1 PRESSURE: 3624400 -74.7986 -268.503 175.053 -268.504 30.5757 33.744 175.054 33.7442 288.577 GPRESSURE: 3624400 52.1686 -153.057 196.1 -257.116 25.1914 37.7927 192.15 36.8155 262.246 PRESSAVG: 3624400 7.10123 -19.7847 -54.0384 -19.7847 6.83802 -5.02475 -54.0384 -5.02473 25.8847 GPRESSAVG: 3624400 6.8923 -16.6729 -53.0943 -20.046 6.4888 -4.64373 -53.149 -3.43851 26.353 TIMING: 3624400 CPU: 11452.8, 0.00321073/step Wall: 11452.8, 0.00321073/step, 1.22685 hours remaining, 236.445312 MB of memory in use. ENERGY: 3624400 3991.1050 20461.2051 14458.6087 246.7771 -202971.8707 2479.8903 0.0000 0.0000 51922.3067 -109411.9778 298.3982 -161334.2845 -109049.0119 299.0269 81.4513 113.2018 761111.1963 13.2746 13.2447 PRESSURE: 3624600 -134.593 121.763 -31.2345 121.762 -241.156 -101.394 -31.2347 -101.394 -128.843 GPRESSURE: 3624600 -148.349 -36.1896 -41.083 40.4553 -132.599 -52.7266 83.3244 -145.009 -133.503 PRESSAVG: 3624600 4.28118 -47.2725 -33.579 -47.2724 -0.658178 39.5189 -33.5791 39.5189 -8.84253 GPRESSAVG: 3624600 3.951 -46.7375 -34.3797 -47.6372 0.55164 40.7761 -35.0651 37.9619 -9.64108 TIMING: 3624600 CPU: 11453.5, 0.00314397/step Wall: 11453.5, 0.00314397/step, 1.20117 hours remaining, 236.445312 MB of memory in use. ENERGY: 3624600 3935.7906 20344.5637 14409.7854 264.4133 -202672.4887 2140.7964 0.0000 0.0000 52297.2690 -109279.8702 300.5531 -161577.1392 -108911.8945 299.5168 -168.1974 -138.1501 761037.6891 -1.7398 -1.7128 PRESSURE: 3624800 439.907 117.04 140.073 117.039 361.037 119.367 140.072 119.368 32.9468 GPRESSURE: 3624800 485.413 158.43 210.993 51.7776 400.585 95.3174 104.225 138.693 31.4617 PRESSAVG: 3624800 6.06873 8.9743 16.8074 8.97429 34.7912 -53.7748 16.8074 -53.7748 5.4767 GPRESSAVG: 3624800 6.18737 5.4192 16.1481 9.16976 33.6551 -55.0995 18.5353 -52.7641 5.93046 TIMING: 3624800 CPU: 11454.1, 0.00314748/step Wall: 11454.1, 0.00314748/step, 1.20234 hours remaining, 236.445312 MB of memory in use. ENERGY: 3624800 3883.6824 20443.2000 14401.8070 269.2025 -202948.5900 2680.1614 0.0000 0.0000 52163.0039 -109107.5328 299.7815 -161270.5367 -108742.6472 299.7681 277.9637 305.8199 759593.9121 15.4456 15.2576 PRESSURE: 3625000 -87.4774 135.943 -214.075 135.943 96.9178 -169.059 -214.074 -169.06 283.39 GPRESSURE: 3625000 34.2126 117.859 -113.176 212.41 69.2576 -150.503 -105.306 -90.9329 275.943 PRESSAVG: 3625000 38.2056 -0.780983 27.4573 -0.780946 -55.1179 -22.9861 27.4573 -22.986 -6.13767 GPRESSAVG: 3625000 39.0731 3.52142 28.1814 -2.09241 -56.8565 -24.1196 28.6089 -20.9675 -5.64779 TIMING: 3625000 CPU: 11454.7, 0.00313247/step Wall: 11454.7, 0.00313247/step, 1.19643 hours remaining, 236.589844 MB of memory in use. ENERGY: 3625000 3962.1982 20446.9423 14404.3084 244.1412 -202874.3244 2541.9885 0.0000 0.0000 52323.7778 -108950.9680 300.7055 -161274.7458 -108589.2898 299.9535 97.6100 126.4710 761058.5881 -7.6833 -7.8104 PRESSURE: 3625200 340.841 -37.2356 -213.095 -37.2354 312.932 146.276 -213.094 146.276 394.042 GPRESSURE: 3625200 409.82 36.2795 -176.71 -124.212 277.354 176.69 -291.836 12.3094 444.353 PRESSAVG: 3625200 15.8413 -22.6492 -2.74747 -22.6492 7.39421 26.5312 -2.74746 26.5311 17.2388 GPRESSAVG: 3625200 14.7871 -23.6501 -2.17856 -21.4462 8.64662 27.5679 -4.83753 23.807 16.8433 TIMING: 3625200 CPU: 11455.4, 0.00314043/step Wall: 11455.4, 0.00314043/step, 1.19929 hours remaining, 236.589844 MB of memory in use. ENERGY: 3625200 3866.9162 20377.5637 14424.1643 260.7645 -202867.0012 2629.2739 0.0000 0.0000 52105.1270 -109203.1914 299.4489 -161308.3184 -108846.0661 299.5863 349.2717 377.1757 759829.2989 13.4914 13.4257 PRESSURE: 3625400 170.019 168.671 2.09376 168.671 18.7351 32.057 2.0941 32.056 132.01 GPRESSURE: 3625400 201.714 161.445 -50.8707 170.115 52.2977 12.6822 -41.8625 67.1365 135.753 PRESSAVG: 3625400 -2.2337 -43.6367 -55.8612 -43.6367 -16.5962 9.98477 -55.8612 9.98481 -14.7485 GPRESSAVG: 3625400 -0.761513 -44.1686 -58.0955 -43.1511 -16.4419 11.1575 -58.0874 9.53642 -16.6179 TIMING: 3625400 CPU: 11456, 0.00312623/step Wall: 11456, 0.00312623/step, 1.1937 hours remaining, 236.589844 MB of memory in use. ENERGY: 3625400 3918.1696 20508.2931 14375.6591 251.4113 -203183.2304 2692.0979 0.0000 0.0000 51941.3708 -109496.2286 298.5078 -161437.5994 -109133.8484 299.2986 106.9213 129.9214 761057.7256 -11.1928 -11.2738 PRESSURE: 3625600 22.7968 75.8988 233.267 75.8992 1.68842 26.0882 233.266 26.0868 181.69 GPRESSURE: 3625600 170.515 113.772 194.222 -29.3947 -21.3626 98.0407 138.129 -73.3887 150.21 PRESSAVG: 3625600 40.2034 -21.65 -11.3159 -21.65 8.17972 -24.7912 -11.3159 -24.7912 -2.91564 GPRESSAVG: 3625600 39.4905 -22.4391 -8.67015 -21.7239 8.39691 -26.6379 -8.83718 -24.9495 -1.66848 TIMING: 3625600 CPU: 11456.6, 0.00315492/step Wall: 11456.6, 0.00315492/step, 1.20448 hours remaining, 236.589844 MB of memory in use. ENERGY: 3625600 4028.7095 20486.1025 14399.3686 253.6937 -203238.3147 2703.5883 0.0000 0.0000 52023.2778 -109343.5743 298.9785 -161366.8521 -108988.5114 299.0729 68.7251 99.7873 761163.9479 15.1558 15.4063 PRESSURE: 3625800 -270.699 -69.6507 65.9913 -69.6506 -92.6234 254.402 65.9911 254.403 -541.228 GPRESSURE: 3625800 -122.796 -138.206 72.8888 -80.4932 -115.872 269.983 135.059 130.251 -583.973 PRESSAVG: 3625800 51.4646 0.173907 27.2268 0.173881 -34.6529 55.1284 27.2268 55.1284 8.7099 GPRESSAVG: 3625800 52.3839 0.0331781 25.6249 0.446151 -34.8998 56.432 28.6255 56.2183 8.09519 TIMING: 3625800 CPU: 11457.2, 0.00314341/step Wall: 11457.2, 0.00314341/step, 1.19991 hours remaining, 236.589844 MB of memory in use. ENERGY: 3625800 4056.3386 20427.2714 14354.2520 251.1875 -202773.3128 2336.5160 0.0000 0.0000 52084.6095 -109263.1378 299.3310 -161347.7473 -108895.3528 299.4869 -301.5170 -274.2138 761064.9758 8.5072 8.5264 PRESSURE: 3626000 98.6532 -11.3206 30.2867 -11.3208 -146.681 14.7907 30.2864 14.7914 -40.3742 GPRESSURE: 3626000 198.94 -116.574 5.78483 2.41228 -147.157 37.2339 -55.1529 51.3257 -71.6706 PRESSAVG: 3626000 7.01099 -45.7767 -16.3582 -45.7767 8.5061 61.2351 -16.3583 61.2352 7.42663 GPRESSAVG: 3626000 6.34113 -47.2717 -14.7227 -47.1027 9.45654 61.2848 -17.9595 60.9377 7.3331 TIMING: 3626000 CPU: 11457.9, 0.00314265/step Wall: 11457.9, 0.00314265/step, 1.19945 hours remaining, 236.589844 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: 3626000 3992.5326 20447.4615 14403.4736 238.7420 -203319.2925 2753.6254 0.0000 0.0000 52231.3491 -109252.1082 300.1743 -161483.4573 -108892.9758 299.8706 -29.4674 -6.6290 762231.2780 7.6479 7.7103 PRESSURE: 3626200 39.3432 -57.7344 -189.457 -57.7342 390.91 107.468 -189.456 107.467 49.7739 GPRESSURE: 3626200 152.378 57.0121 -210.949 -32.0703 372.349 34.4048 -78.3237 41.4602 27.0507 PRESSAVG: 3626200 -12.6181 -32.0847 -16.6471 -32.0847 1.48343 30.47 -16.647 30.47 -3.44395 GPRESSAVG: 3626200 -12.617 -31.1406 -16.4299 -30.8768 1.6875 30.0285 -15.709 29.8386 -3.1675 TIMING: 3626200 CPU: 11458.5, 0.00313125/step Wall: 11458.5, 0.00313125/step, 1.19492 hours remaining, 236.660156 MB of memory in use. ENERGY: 3626200 4002.1670 20445.9850 14417.7815 248.6051 -203140.3926 2602.9179 0.0000 0.0000 52104.0759 -109318.8602 299.4428 -161422.9361 -108956.7773 299.5246 160.0091 183.9261 760988.7879 -4.8596 -4.6990 PRESSURE: 3626400 -431.611 77.3356 112.087 77.3357 -118.488 266.586 112.086 266.586 -213.29 GPRESSURE: 3626400 -310.118 57.9498 21.9749 119.103 -158.16 198.24 232.158 257.951 -224.314 PRESSAVG: 3626400 19.2768 -4.78115 -17.4028 -4.78108 -25.0515 63.6347 -17.4028 63.6345 6.16364 GPRESSAVG: 3626400 20.5274 -3.40833 -18.5979 -5.15926 -25.8977 63.7293 -17.1699 64.7875 5.69465 TIMING: 3626400 CPU: 11459.1, 0.00314702/step Wall: 11459.1, 0.00314702/step, 1.20076 hours remaining, 236.660156 MB of memory in use. ENERGY: 3626400 4079.9152 20413.9719 14329.3216 255.9917 -203090.0520 2604.8202 0.0000 0.0000 52079.7266 -109326.3048 299.3029 -161406.0314 -108973.9490 299.3280 -254.4631 -230.8639 763773.9421 0.1296 0.1081 PRESSURE: 3626600 -175.411 -6.74253 -12.3644 -6.74256 86.6112 -77.9374 -12.3644 -77.9371 176.596 GPRESSURE: 3626600 -132.663 -10.6149 27.6186 -34.9406 165.608 -48.3052 -21.6841 -131.027 137.734 PRESSAVG: 3626600 -10.2318 -66.5039 -27.409 -66.5039 -15.32 5.99396 -27.409 5.99401 -3.92155 GPRESSAVG: 3626600 -11.4803 -66.6307 -26.4601 -66.7096 -14.8024 5.98969 -27.7879 4.54797 -2.9848 TIMING: 3626600 CPU: 11459.8, 0.00315145/step Wall: 11459.8, 0.00315146/step, 1.20228 hours remaining, 236.660156 MB of memory in use. ENERGY: 3626600 3968.5136 20335.9242 14457.6161 230.7515 -203432.9072 2646.7857 0.0000 0.0000 52155.5089 -109637.8074 299.7384 -161793.3162 -109276.1908 298.9856 29.2655 56.8931 761703.7770 -9.8244 -9.7559 PRESSURE: 3626800 -196.072 -68.0248 11.591 -68.025 -184.527 46.5421 11.5918 46.5412 -139.254 GPRESSURE: 3626800 -146.994 -81.9602 -12.781 -37.1676 -140.399 136.871 -46.034 36.1428 -133.215 PRESSAVG: 3626800 17.2069 -37.9543 -55.5481 -37.9542 32.9098 -0.242881 -55.5482 -0.242881 6.1809 GPRESSAVG: 3626800 15.7787 -36.8518 -56.3018 -40.5628 32.7476 -0.216392 -56.3168 0.24054 7.02488 TIMING: 3626800 CPU: 11460.4, 0.00315464/step Wall: 11460.4, 0.00315464/step, 1.20332 hours remaining, 236.660156 MB of memory in use. ENERGY: 3626800 3961.5600 20593.0548 14393.3387 253.9475 -203172.9881 2575.1167 0.0000 0.0000 52005.8068 -109390.1635 298.8781 -161395.9703 -109036.0365 298.9415 -173.2842 -140.2027 763069.8925 18.7658 18.5170 PRESSURE: 3627000 -192.846 53.1543 -138.12 53.1542 352.795 290.209 -138.12 290.21 -193.067 GPRESSURE: 3627000 -104.854 9.40995 -117.121 73.5361 335.299 244.163 -256.945 363.944 -174.684 PRESSAVG: 3627000 -35.9413 -52.6939 -75.0934 -52.6939 31.7365 -30.5862 -75.0934 -30.5862 16.6209 GPRESSAVG: 3627000 -34.8632 -54.8443 -74.9466 -50.7529 30.0587 -28.8561 -74.8619 -30.7376 17.0898 TIMING: 3627000 CPU: 11461, 0.00314681/step Wall: 11461, 0.00314681/step, 1.20016 hours remaining, 236.660156 MB of memory in use. ENERGY: 3627000 4063.7798 20569.3477 14426.3293 251.2720 -203193.8552 2733.7075 0.0000 0.0000 52073.3843 -109076.0348 299.2665 -161149.4190 -108721.5986 299.4311 -11.0393 18.5868 762331.1848 4.1387 4.0951 PRESSURE: 3627200 -247.898 119.162 -152.653 119.162 -385.057 -219.355 -152.654 -219.356 -446.966 GPRESSURE: 3627200 -219.981 108.032 -103.971 134.787 -304.933 -116.161 -172.601 -130.552 -470.465 PRESSAVG: 3627200 -2.83515 -26.5532 -31.022 -26.5533 13.8128 18.835 -31.022 18.8349 21.2163 GPRESSAVG: 3627200 -3.16917 -26.052 -32.207 -25.2838 15.2407 17.7763 -29.7391 18.5955 20.1371 TIMING: 3627200 CPU: 11461.6, 0.00313476/step Wall: 11461.6, 0.00313476/step, 1.19539 hours remaining, 236.660156 MB of memory in use. ENERGY: 3627200 3991.2647 20580.8593 14462.8527 239.8324 -202609.0001 2217.5791 0.0000 0.0000 52074.7927 -109041.8193 299.2745 -161116.6120 -108681.7980 299.7833 -359.9737 -331.7931 763450.0366 10.7313 10.7362 PRESSURE: 3627400 -258.714 -27.0085 131.249 -27.009 -342.082 114.647 131.249 114.646 272.056 GPRESSURE: 3627400 -272.188 38.8027 92.4196 -85.4848 -228.492 119.629 4.44933 142.339 257.753 PRESSAVG: 3627400 -9.08698 -54.7908 -1.7674 -54.7909 42.4795 19.0819 -1.7674 19.082 2.46773 GPRESSAVG: 3627400 -8.1779 -55.0232 -2.07599 -54.1203 41.2984 18.078 -4.87218 19.884 2.50978 TIMING: 3627400 CPU: 11462.3, 0.0031635/step Wall: 11462.3, 0.0031635/step, 1.20617 hours remaining, 236.660156 MB of memory in use. ENERGY: 3627400 4045.2785 20402.7141 14423.5838 251.3151 -202854.8427 2314.2298 0.0000 0.0000 52099.3913 -109318.3301 299.4159 -161417.7214 -108958.6466 299.6519 -109.5798 -80.9754 762299.6333 11.9534 11.8768 PRESSURE: 3627600 -31.4131 -45.7515 -91.6804 -45.7516 140.8 8.29493 -91.6804 8.29473 189.221 GPRESSURE: 3627600 -11.4127 18.2906 -102.085 -6.60428 137.709 7.83658 22.0317 51.5431 278.395 PRESSAVG: 3627600 5.2614 -65.0604 15.8067 -65.0605 -5.50034 57.2211 15.8068 57.2211 -10.3233 GPRESSAVG: 3627600 5.19219 -64.8816 16.7869 -68.6816 -4.34206 58.4104 19.1261 57.2317 -10.9021 TIMING: 3627600 CPU: 11462.9, 0.00315514/step Wall: 11462.9, 0.00315514/step, 1.20281 hours remaining, 236.660156 MB of memory in use. ENERGY: 3627600 3936.0575 20656.7853 14358.2402 257.6670 -203385.1212 2670.1725 0.0000 0.0000 51916.6323 -109589.5664 298.3656 -161506.1987 -109243.9811 299.4658 99.5361 134.8973 759993.1865 -3.5207 -3.3507 PRESSURE: 3627800 110.569 -169.82 46.8317 -169.819 94.5633 61.0156 46.8316 61.0159 -0.192566 GPRESSURE: 3627800 171.171 -131.975 -27.5791 -72.984 107.265 34.1511 2.66202 77.4304 20.8295 PRESSAVG: 3627800 33.2448 -38.7839 -48.8167 -38.784 -12.0606 61.6798 -48.8168 61.6798 -13.6051 GPRESSAVG: 3627800 32.1487 -39.4995 -48.7696 -38.0609 -12.5714 60.6164 -49.3744 61.8794 -12.1926 TIMING: 3627800 CPU: 11463.5, 0.00315171/step Wall: 11463.5, 0.00315171/step, 1.20133 hours remaining, 236.660156 MB of memory in use. ENERGY: 3627800 3932.7859 20662.6644 14437.6877 240.7800 -203552.5598 2481.3785 0.0000 0.0000 52216.0465 -109581.2168 300.0863 -161797.2634 -109211.3894 299.1569 68.3133 99.7551 759972.3577 2.5263 2.4615 PRESSURE: 3628000 -96.8946 17.2362 23.367 17.2356 99.6811 204.461 23.3678 204.461 16.5273 GPRESSURE: 3628000 -81.7733 26.852 51.2489 11.7477 148.959 195.851 56.6309 123.457 18.2381 PRESSAVG: 3628000 59.2135 -60.8236 2.21041 -60.8236 -34.9159 48.9979 2.21048 48.998 4.22058 GPRESSAVG: 3628000 59.1879 -61.4819 2.20284 -58.5454 -34.052 49.4282 -0.390187 47.7617 2.96315 TIMING: 3628000 CPU: 11464.2, 0.00312729/step Wall: 11464.2, 0.00312729/step, 1.19184 hours remaining, 236.660156 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: 3628000 4018.4230 20538.1944 14410.4601 247.4922 -203600.2168 2644.2518 0.0000 0.0000 52145.4385 -109595.9569 299.6806 -161741.3954 -109232.5957 299.8678 6.4379 28.4747 760447.8220 9.5061 9.3663 PRESSURE: 3628200 53.7225 152.759 79.6217 152.759 -59.4842 -284.776 79.6221 -284.777 -6.26059 GPRESSURE: 3628200 76.4483 39.1724 -8.03862 224.666 -16.9624 -249.658 214.776 -293.149 18.563 PRESSAVG: 3628200 -15.6367 1.92447 2.38213 1.92453 3.18109 12.3619 2.38212 12.3618 0.546424 GPRESSAVG: 3628200 -15.1563 2.4271 2.23245 1.09433 3.1444 13.8249 4.69169 13.1413 0.0966912 TIMING: 3628200 CPU: 11464.8, 0.00314116/step Wall: 11464.8, 0.00314116/step, 1.19696 hours remaining, 236.660156 MB of memory in use. ENERGY: 3628200 4019.2864 20438.2848 14441.2669 260.1899 -203942.6529 2912.8716 0.0000 0.0000 52178.3677 -109692.3857 299.8698 -161870.7534 -109337.7031 299.1582 -4.0074 26.0163 759955.6931 -3.9697 -3.9717 LDB: ============= START OF LOAD BALANCING ============== 11477.3 LDB: ============== END OF LOAD BALANCING =============== 11477.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11477.3 LDB: ============= START OF LOAD BALANCING ============== 11477.6 LDB: Largest compute 7074 load 0.034006 is 17.4% of average load 0.195600 LDB: Average compute 0.004381 is 2.2% of average load 0.195600 LDB: TIME 11477.6 LOAD: AVG 0.1956 MAX 0.216494 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.156 MB LDB: TIME 11477.6 LOAD: AVG 0.1956 MAX 0.216494 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.363 MB LDB: TIME 11477.6 LOAD: AVG 0.1956 MAX 0.216494 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.363 MB LDB: ============== END OF LOAD BALANCING =============== 11477.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11477.7 PRESSURE: 3628400 -359.096 11.1776 -175.506 11.1775 62.4607 -53.8031 -175.505 -53.8028 -124.183 GPRESSURE: 3628400 -286.953 -113.114 -96.3966 -72.2714 96.2245 -6.57744 -240.607 -182.752 -147.648 PRESSAVG: 3628400 0.316372 9.96133 -69.7514 9.96134 7.31386 -29.537 -69.7513 -29.5369 24.528 GPRESSAVG: 3628400 -0.0466455 10.8104 -68.9819 8.43676 6.98179 -31.7118 -70.6518 -28.499 24.7838 TIMING: 3628400 CPU: 11465.4, 0.00320389/step Wall: 11465.4, 0.00320389/step, 1.22068 hours remaining, 235.859375 MB of memory in use. ENERGY: 3628400 4026.0335 20404.4195 14421.2612 246.5621 -203101.1012 2310.6893 0.0000 0.0000 52188.4159 -109503.7197 299.9275 -161692.1356 -109149.1980 299.9501 -140.2728 -112.7920 760547.2702 10.7194 10.5730 PRESSURE: 3628600 19.5635 2.65337 164.649 2.65354 146.685 -0.839413 164.648 -0.840625 332.615 GPRESSURE: 3628600 98.6023 44.6015 172.624 -85.6426 176.482 -9.807 272.591 91.2056 301.464 PRESSAVG: 3628600 30.407 -13.0554 -18.534 -13.0555 -32.5945 -12.4038 -18.5341 -12.4038 -3.51301 GPRESSAVG: 3628600 31.4129 -13.9179 -19.452 -11.1221 -32.543 -11.1376 -21.0756 -14.2568 -4.45344 TIMING: 3628600 CPU: 11466.1, 0.00314774/step Wall: 11466.1, 0.00314774/step, 1.19911 hours remaining, 236.062500 MB of memory in use. ENERGY: 3628600 4066.4421 20285.6249 14492.9999 271.4096 -203141.4434 2561.0904 0.0000 0.0000 52099.2198 -109364.6566 299.4149 -161463.8764 -108996.3428 299.3204 166.2880 192.1826 760330.9698 -1.9002 -1.8612 PRESSURE: 3628800 304.869 -54.7118 185.413 -54.7113 105.408 155.515 185.415 155.515 217.494 GPRESSURE: 3628800 373.001 -35.8864 103.578 3.62004 161.696 211.208 187.525 80.9524 174.996 PRESSAVG: 3628800 32.5578 -26.1725 22.6881 -26.1724 -38.2485 -13.9875 22.6881 -13.9875 -9.40728 GPRESSAVG: 3628800 31.7134 -26.2364 23.2392 -26.0462 -38.4264 -15.091 25.1768 -13.374 -7.97162 TIMING: 3628800 CPU: 11466.7, 0.0031411/step Wall: 11466.7, 0.0031411/step, 1.19641 hours remaining, 236.355469 MB of memory in use. ENERGY: 3628800 3969.2998 20426.0946 14490.7649 263.3240 -203426.3193 2701.4809 0.0000 0.0000 52253.9777 -109321.3774 300.3043 -161575.3551 -108952.8570 299.4026 209.2568 236.5639 761255.4904 -5.0327 -4.8949 PRESSURE: 3629000 242.505 118.752 83.3622 118.751 -278.326 -3.67224 83.3619 -3.67226 -321.918 GPRESSURE: 3629000 269.754 138.571 126.824 60.3177 -184.506 -41.7907 -21.0572 31.5393 -353.255 PRESSAVG: 3629000 39.609 -44.0283 5.28853 -44.0283 -29.7887 19.5131 5.28857 19.5131 10.0265 GPRESSAVG: 3629000 39.7977 -44.9321 6.61091 -43.9345 -30.3801 18.9999 3.51889 20.4664 10.1543 TIMING: 3629000 CPU: 11467.3, 0.0031382/step Wall: 11467.3, 0.0031382/step, 1.19513 hours remaining, 236.355469 MB of memory in use. ENERGY: 3629000 3921.7045 20439.3743 14421.0026 233.4426 -203431.5673 2692.0219 0.0000 0.0000 52153.0716 -109570.9498 299.7244 -161724.0214 -109198.6098 299.5370 -119.2463 -89.3358 760927.9760 6.6156 6.5240 PRESSURE: 3629200 145.996 180.255 -143.501 180.254 75.0328 -38.8998 -143.5 -38.8993 320.229 GPRESSURE: 3629200 200.582 304.558 -164.359 106.66 65.6181 -40.2031 -187.033 68.9865 365.963 PRESSAVG: 3629200 6.46113 -16.2592 18.2269 -16.2592 21.5418 22.7509 18.2269 22.751 -7.54627 GPRESSAVG: 3629200 6.83522 -14.0631 17.0336 -16.4087 22.1883 22.1369 16.6955 22.1963 -7.90493 TIMING: 3629200 CPU: 11467.9, 0.00314181/step Wall: 11467.9, 0.00314181/step, 1.19633 hours remaining, 236.355469 MB of memory in use. ENERGY: 3629200 3957.8321 20665.4843 14469.9848 249.7394 -203198.0423 2644.2366 0.0000 0.0000 51807.4967 -109403.2685 297.7384 -161210.7652 -109042.5897 299.2297 180.4195 210.7212 761223.1468 6.8189 7.0395 PRESSURE: 3629400 172.965 -122.213 -19.4204 -122.214 227.129 -90.4005 -19.4211 -90.4017 123.744 GPRESSURE: 3629400 179.231 -108.53 -17.7679 -28.7998 331.664 -70.812 136.461 45.0824 97.9758 PRESSAVG: 3629400 -10.4756 20.2343 28.8312 20.2343 74.5776 5.4406 28.8312 5.44056 -1.01339 GPRESSAVG: 3629400 -10.8812 18.6464 29.3611 20.5968 74.841 6.47429 30.0612 7.31561 -0.6589 TIMING: 3629400 CPU: 11468.6, 0.00313251/step Wall: 11468.6, 0.00313251/step, 1.19261 hours remaining, 236.355469 MB of memory in use. ENERGY: 3629400 3958.1004 20625.6779 14464.4304 236.5599 -203308.6278 2511.7769 0.0000 0.0000 52109.5106 -109402.5716 299.4741 -161512.0822 -109035.7627 299.7446 174.6126 202.9569 760383.1951 21.0296 21.1003 PRESSURE: 3629600 -135.178 -173.296 -120.84 -173.296 -334.169 -4.01289 -120.84 -4.01277 -117.045 GPRESSURE: 3629600 -96.5525 -344.46 -96.2312 -141.949 -290.916 -9.33684 -122.684 -41.7294 -119.188 PRESSAVG: 3629600 31.2427 -13.7454 14.6826 -13.7454 -15.985 -7.71543 14.6826 -7.71542 0.32459 GPRESSAVG: 3629600 32.7332 -13.5588 13.9122 -14.3555 -17.4785 -8.38491 15.4587 -8.93671 -0.252925 TIMING: 3629600 CPU: 11469.2, 0.00316461/step Wall: 11469.2, 0.00316461/step, 1.20466 hours remaining, 236.355469 MB of memory in use. ENERGY: 3629600 4044.5032 20574.6031 14431.2686 248.0278 -203501.1745 2469.0607 0.0000 0.0000 52255.2026 -109478.5086 300.3114 -161733.7111 -109118.3424 299.6429 -195.4637 -168.8854 760825.7293 5.1941 5.0006 PRESSURE: 3629800 4.4892 188.513 172.535 188.513 -327.607 -147.024 172.534 -147.024 -429.612 GPRESSURE: 3629800 1.60689 236.155 95.2811 242.709 -250.845 -186.463 347.947 -24.3127 -419.69 PRESSAVG: 3629800 -5.49788 42.2964 -5.8017 42.2963 -1.31836 -36.0074 -5.80168 -36.0074 8.29351 GPRESSAVG: 3629800 -6.43413 42.0395 -6.60095 41.2813 -0.621205 -35.6696 -3.14605 -37.7626 8.79753 TIMING: 3629800 CPU: 11469.8, 0.00315879/step Wall: 11469.8, 0.00315879/step, 1.20227 hours remaining, 236.355469 MB of memory in use. ENERGY: 3629800 3990.5033 20497.8831 14480.3565 242.3880 -203283.3541 2617.5857 0.0000 0.0000 51993.4332 -109461.2043 298.8070 -161454.6374 -109100.8911 299.6180 -250.9099 -222.9759 760920.0353 0.4924 0.5807 PRESSURE: 3630000 63.3282 41.0898 -270.679 41.0896 -177.783 162.831 -270.679 162.83 -326.466 GPRESSURE: 3630000 42.323 59.5723 -220.897 41.9427 -134.164 150.815 -201.422 98.8941 -242.282 PRESSAVG: 3630000 -7.92704 -31.87 28.3584 -31.87 -18.3398 -8.9555 28.3584 -8.95552 20.046 GPRESSAVG: 3630000 -8.07506 -30.5592 28.2083 -30.5377 -17.801 -7.8362 25.7205 -9.4616 19.5231 TIMING: 3630000 CPU: 11470.5, 0.00314387/step Wall: 11470.5, 0.00314387/step, 1.19642 hours remaining, 236.355469 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: 3630000 3956.8746 20383.3871 14381.9739 243.3616 -203036.7521 2484.5300 0.0000 0.0000 52002.5746 -109584.0503 298.8595 -161586.6249 -109227.0325 298.8801 -146.9734 -111.3743 761772.0237 -2.0736 -2.1176 PRESSURE: 3630200 -128.655 -135.641 25.2298 -135.641 267.939 134.996 25.2297 134.995 95.4093 GPRESSURE: 3630200 -128.618 4.69091 91.9609 -116.066 318.688 26.8495 -72.6067 154.388 125.478 PRESSAVG: 3630200 -31.859 -42.9332 5.33349 -42.9332 70.812 -21.3429 5.33348 -21.343 -4.81935 GPRESSAVG: 3630200 -31.2263 -42.0677 6.26054 -42.8203 69.4212 -21.6967 6.50739 -19.9596 -4.6186 TIMING: 3630200 CPU: 11471.1, 0.00315224/step Wall: 11471.1, 0.00315224/step, 1.19943 hours remaining, 236.355469 MB of memory in use. ENERGY: 3630200 3925.2239 20647.0428 14500.3287 241.8441 -203309.3893 2497.9535 0.0000 0.0000 52081.5288 -109415.4675 299.3133 -161496.9963 -109058.0263 299.6112 78.2309 105.1825 760044.1439 11.3779 11.1921 PRESSURE: 3630400 193.154 38.6309 68.1315 38.6306 -380.005 -8.81027 68.1313 -8.80955 114.661 GPRESSURE: 3630400 218.574 -42.5784 55.6359 9.99997 -315.953 10.1457 -37.3491 55.3934 102.255 PRESSAVG: 3630400 29.2026 -43.7956 -10.0134 -43.7957 12.8174 18.3281 -10.0134 18.3281 19.1433 GPRESSAVG: 3630400 29.3145 -44.7877 -10.1823 -43.4374 13.8441 18.5411 -11.7644 17.4881 18.375 TIMING: 3630400 CPU: 11471.7, 0.00314551/step Wall: 11471.7, 0.00314551/step, 1.19669 hours remaining, 236.355469 MB of memory in use. ENERGY: 3630400 3902.7865 20437.4835 14400.2360 244.3034 -203180.8599 2622.0923 0.0000 0.0000 52094.7292 -109479.2291 299.3891 -161573.9582 -109113.2694 299.1758 -24.0633 1.6254 762621.9039 20.3877 20.5112 PRESSURE: 3630600 362.453 160.874 161.636 160.873 119.783 -100.9 161.635 -100.9 237.435 GPRESSURE: 3630600 393.494 89.6604 187.857 104.802 44.6047 -19.9552 51.9848 45.9083 352.471 PRESSAVG: 3630600 -4.93685 -25.8357 -30.736 -25.8356 -37.2733 42.7758 -30.7359 42.7758 -1.41442 GPRESSAVG: 3630600 -5.82192 -24.8568 -32.141 -27.5952 -37.8954 44.3275 -30.4059 44.3225 -0.517419 TIMING: 3630600 CPU: 11472.4, 0.00313238/step Wall: 11472.4, 0.00313238/step, 1.19152 hours remaining, 236.355469 MB of memory in use. ENERGY: 3630600 3928.0974 20509.0541 14478.5160 232.7016 -203392.4301 2722.6412 0.0000 0.0000 52117.0874 -109404.3324 299.5176 -161521.4198 -109056.1327 299.4908 239.8905 263.5234 761296.0647 -14.5415 -14.7449 PRESSURE: 3630800 -63.985 -314.126 -45.8249 -314.125 -344.289 170.676 -45.8271 170.676 -472.612 GPRESSURE: 3630800 -44.8232 -245.83 -1.8216 -302.825 -350.912 101.123 76.0446 86.2301 -400.133 PRESSAVG: 3630800 22.6506 -17.8979 9.36332 -17.8979 -7.09763 46.0676 9.36333 46.0677 4.32991 GPRESSAVG: 3630800 23.2373 -19.3795 10.0068 -15.3765 -7.20725 43.0042 9.89072 44.8689 4.25325 TIMING: 3630800 CPU: 11473, 0.00313732/step Wall: 11473, 0.00313732/step, 1.19323 hours remaining, 236.558594 MB of memory in use. ENERGY: 3630800 4007.0249 20662.1690 14435.0828 249.4358 -203345.9683 2493.9731 0.0000 0.0000 52200.2557 -109298.0269 299.9956 -161498.2826 -108928.8027 299.5853 -293.6286 -265.2894 761953.6614 6.6276 6.7611 PRESSURE: 3631000 52.4326 95.0744 43.135 95.074 -262.385 -19.3793 43.1355 -19.3791 -11.3285 GPRESSURE: 3631000 43.4567 24.2617 50.8712 54.6526 -149.981 -109.428 -85.3171 84.0066 -31.5073 PRESSAVG: 3631000 81.5114 -20.5855 4.80711 -20.5856 -72.8284 7.92378 4.80711 7.92383 -12.0727 GPRESSAVG: 3631000 82.3133 -21.1015 5.17958 -21.2575 -72.4885 9.05925 4.44341 8.65753 -12.9003 TIMING: 3631000 CPU: 11473.6, 0.00313814/step Wall: 11473.6, 0.00313814/step, 1.19337 hours remaining, 236.558594 MB of memory in use. ENERGY: 3631000 3985.0713 20519.5361 14491.5848 241.2564 -203541.5245 2862.8754 0.0000 0.0000 52035.8586 -109405.3418 299.0508 -161441.2005 -109045.4090 299.3414 -73.7604 -46.0106 761511.4831 -1.1299 -1.0251 PRESSURE: 3631200 -25.6638 -351.058 35.681 -351.058 295.059 -123.252 35.6809 -123.252 325.621 GPRESSURE: 3631200 103.391 -273.622 3.47122 -236.869 331.048 -223.754 64.3273 -184.702 258.132 PRESSAVG: 3631200 -9.82154 -52.3797 -10.0257 -52.3797 -3.15943 -60.7405 -10.0257 -60.7405 5.29779 GPRESSAVG: 3631200 -9.96146 -51.2198 -9.25249 -51.5371 -3.38541 -58.7859 -9.00116 -61.5993 5.59325 TIMING: 3631200 CPU: 11474.2, 0.00313282/step Wall: 11474.2, 0.00313282/step, 1.19117 hours remaining, 236.558594 MB of memory in use. ENERGY: 3631200 3970.4518 20594.7396 14453.5265 237.7708 -203513.7759 2650.9437 0.0000 0.0000 52401.0283 -109205.3153 301.1494 -161606.3436 -108840.2749 299.5883 198.3385 230.8570 760625.6391 -2.5611 -2.5845 PRESSURE: 3631400 -212.387 -77.604 -10.5494 -77.6046 -119.418 87.0132 -10.5495 87.0125 -91.5317 GPRESSURE: 3631400 -79.4223 -34.7545 33.3764 -240.352 -93.5093 167.173 14.1318 110.151 -139.356 PRESSAVG: 3631400 -38.6367 -5.01534 18.1743 -5.01532 60.3376 -62.9488 18.1744 -62.9488 -1.52652 GPRESSAVG: 3631400 -38.5386 -5.19235 15.7499 -7.98176 59.3939 -63.1304 17.9526 -63.2254 -0.840397 TIMING: 3631400 CPU: 11474.9, 0.00316604/step Wall: 11474.9, 0.00316604/step, 1.20362 hours remaining, 236.558594 MB of memory in use. ENERGY: 3631400 4029.9929 20503.3712 14470.8545 259.2117 -203216.7772 2506.0453 0.0000 0.0000 52014.5243 -109432.7771 298.9282 -161447.3015 -109074.3917 299.3394 -141.1120 -104.0960 761773.0595 6.7248 6.6716 PRESSURE: 3631600 37.6419 -98.0726 -345.786 -98.0732 -140.431 -43.8009 -345.786 -43.8014 -268.979 GPRESSURE: 3631600 60.7772 -70.668 -298.158 -168.442 -111.712 -27.9864 -155.568 -116.245 -236.873 PRESSAVG: 3631600 3.56308 -27.2919 15.3197 -27.292 15.425 9.74419 15.3196 9.7442 3.40214 GPRESSAVG: 3631600 3.65355 -26.2943 17.4839 -28.009 15.7691 8.45804 16.3358 8.97593 3.39865 TIMING: 3631600 CPU: 11475.5, 0.00315943/step Wall: 11475.5, 0.00315943/step, 1.20093 hours remaining, 236.558594 MB of memory in use. ENERGY: 3631600 4015.7857 20453.2168 14496.7336 233.8399 -203274.0102 2684.1797 0.0000 0.0000 51790.3678 -109599.8867 297.6400 -161390.2545 -109234.9700 298.9932 -123.9226 -95.9360 761588.8610 7.4634 7.6071 PRESSURE: 3631800 -44.5435 144.764 -153.986 144.764 -161.551 28.6377 -153.985 28.6384 -15.9084 GPRESSURE: 3631800 -82.2729 294.819 -190.229 159.847 -56.6581 -43.3061 -107.13 108.505 5.93442 PRESSAVG: 3631800 -23.0891 -30.5283 6.22664 -30.5283 -19.0835 -4.13075 6.22666 -4.13085 15.3319 GPRESSAVG: 3631800 -22.9589 -32.5853 7.21627 -29.5151 -17.3714 -5.35756 4.85809 -3.4605 13.2877 TIMING: 3631800 CPU: 11476.1, 0.0031674/step Wall: 11476.1, 0.0031674/step, 1.20379 hours remaining, 236.558594 MB of memory in use. ENERGY: 3631800 3942.1495 20485.2060 14440.9736 226.5515 -203312.1317 2541.4295 0.0000 0.0000 52245.5854 -109430.2362 300.2561 -161675.8216 -109059.9806 299.0350 -74.0010 -44.3322 761903.2269 -8.9469 -9.0142 PRESSURE: 3632000 63.8105 -100.602 29.7089 -100.6 -22.8614 -13.5156 29.709 -13.516 2.33334 GPRESSURE: 3632000 117.457 -37.7323 19.4121 -54.0518 -3.96542 42.2016 -97.7573 -62.1981 5.14959 PRESSAVG: 3632000 31.6434 -68.5443 -5.21131 -68.5443 -27.9993 -12.2639 -5.21137 -12.264 -2.635 GPRESSAVG: 3632000 31.2202 -65.2155 -6.02893 -66.8815 -28.8377 -11.3955 -8.65639 -12.7213 -1.64059 TIMING: 3632000 CPU: 11476.8, 0.00315665/step Wall: 11476.8, 0.00315665/step, 1.19953 hours remaining, 236.558594 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: 3632000 4056.0683 20544.6671 14434.0870 233.4712 -203706.7249 2873.7028 0.0000 0.0000 52192.5142 -109372.2142 299.9511 -161564.7284 -109006.7859 299.5908 14.4275 39.5470 761688.8931 0.3364 0.2473 PRESSURE: 3632200 92.017 111.338 271.849 111.339 -135.559 -129.47 271.85 -129.47 -192.081 GPRESSURE: 3632200 103.744 86.1243 314.585 -6.20647 -114.29 -33.0481 278.634 112.54 -140.693 PRESSAVG: 3632200 -15.445 -34.2295 50.1348 -34.2295 -21.2342 40.2932 50.1348 40.2932 3.27135 GPRESSAVG: 3632200 -15.8734 -36.6719 49.5297 -35.9309 -20.6561 41.9124 51.4622 40.5922 3.18842 TIMING: 3632200 CPU: 11477.4, 0.00317442/step Wall: 11477.4, 0.00317442/step, 1.2061 hours remaining, 236.558594 MB of memory in use. ENERGY: 3632200 4044.7547 20696.8250 14445.0049 251.4054 -203270.8872 2537.2958 0.0000 0.0000 52022.4357 -109273.1656 298.9737 -161295.6012 -108902.5834 299.9165 -78.5411 -50.4133 760039.5035 -11.1359 -11.1137 LDB: ============= START OF LOAD BALANCING ============== 11489.9 LDB: ============== END OF LOAD BALANCING =============== 11489.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11489.9 LDB: ============= START OF LOAD BALANCING ============== 11490.3 LDB: Largest compute 7075 load 0.032461 is 16.6% of average load 0.195609 LDB: Average compute 0.004379 is 2.2% of average load 0.195609 LDB: TIME 11490.3 LOAD: AVG 0.195609 MAX 0.214151 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.336 MB LDB: TIME 11490.3 LOAD: AVG 0.195609 MAX 0.214151 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: TIME 11490.3 LOAD: AVG 0.195609 MAX 0.214151 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.336 MB LDB: ============== END OF LOAD BALANCING =============== 11490.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11490.3 PRESSURE: 3632400 -311.272 63.7524 -260.404 63.752 -26.2254 34.0889 -260.404 34.0886 229.385 GPRESSURE: 3632400 -251.966 92.6586 -245.977 68.9839 -10.5808 89.9218 -279.255 -161.311 243.846 PRESSAVG: 3632400 -16.2359 -9.24801 -0.356767 -9.24802 11.1483 55.8425 -0.35681 55.8425 12.4794 GPRESSAVG: 3632400 -16.0315 -8.66465 0.711899 -9.12859 11.0136 55.806 0.934076 57.7922 13.0485 TIMING: 3632400 CPU: 11478, 0.00321874/step Wall: 11478, 0.00321874/step, 1.22276 hours remaining, 235.835938 MB of memory in use. ENERGY: 3632400 3990.2036 20502.6652 14430.4236 271.2016 -203158.1693 2432.3654 0.0000 0.0000 51990.3806 -109540.9293 298.7894 -161531.3099 -109173.8779 299.4295 -36.0376 -6.2339 760370.1450 2.4639 2.6769 PRESSURE: 3632600 -170.343 90.3155 -3.93123 90.3152 -314.402 -82.2385 -3.93079 -82.239 -148.097 GPRESSURE: 3632600 -115.11 -30.8458 15.2054 123.096 -233.565 -142.579 37.4127 -179.434 -198.845 PRESSAVG: 3632600 3.79913 -36.9854 25.3798 -36.9854 9.49278 2.3353 25.3798 2.3353 -2.2111 GPRESSAVG: 3632600 3.0991 -36.7556 25.7736 -37.7565 9.39955 0.221619 25.9638 -0.587089 -1.84242 TIMING: 3632600 CPU: 11478.7, 0.00313691/step Wall: 11478.7, 0.00313691/step, 1.1915 hours remaining, 236.039062 MB of memory in use. ENERGY: 3632600 4080.1285 20459.9015 14453.9814 235.2093 -203238.9028 2321.5399 0.0000 0.0000 52112.5063 -109575.6359 299.4913 -161688.1423 -109212.1450 299.2211 -210.9472 -182.5067 760750.2111 3.6936 3.5521 PRESSURE: 3632800 -225.007 -96.7186 76.9167 -96.7186 25.6671 175.363 76.9162 175.364 292.729 GPRESSURE: 3632800 -108.145 -57.8859 104.034 -238.318 44.503 105.894 -33.9179 104.986 241.489 PRESSAVG: 3632800 33.8693 -66.7953 -13.1849 -66.7953 -33.7495 8.98419 -13.1849 8.98417 27.5651 GPRESSAVG: 3632800 34.7344 -66.758 -12.412 -65.1698 -33.6543 8.24353 -15.2453 10.6985 27.2764 TIMING: 3632800 CPU: 11479.3, 0.00314413/step Wall: 11479.3, 0.00314413/step, 1.19407 hours remaining, 236.039062 MB of memory in use. ENERGY: 3632800 4037.0149 20421.7532 14512.4145 258.8205 -203320.3438 2796.8008 0.0000 0.0000 51830.8406 -109462.6993 297.8726 -161293.5400 -109102.6553 298.8998 31.1300 59.2824 760639.1405 9.2283 9.4521 PRESSURE: 3633000 17.5536 -3.02839 -155.902 -3.02889 -219.402 -148.304 -155.902 -148.304 175.523 GPRESSURE: 3633000 -4.90236 -28.8746 -173.112 -42.8488 -125.028 -136.305 -157.491 -148.766 197.165 PRESSAVG: 3633000 15.95 -16.6273 51.4215 -16.6273 10.1959 -9.34909 51.4215 -9.34907 5.01263 GPRESSAVG: 3633000 17.9795 -18.2602 50.4828 -16.5117 8.24769 -8.26325 52.2963 -10.4576 5.0848 TIMING: 3633000 CPU: 11479.9, 0.00315703/step Wall: 11479.9, 0.00315703/step, 1.19879 hours remaining, 236.039062 MB of memory in use. ENERGY: 3633000 4003.2624 20405.0417 14461.5406 248.5198 -203384.3815 2847.3965 0.0000 0.0000 52279.7847 -109138.8359 300.4526 -161418.6205 -108775.0912 299.5387 -8.7751 22.4116 761349.2614 10.3862 10.4373 PRESSURE: 3633200 141.003 45.6846 15.5875 45.6843 87.59 26.6052 15.5884 26.6056 93.6568 GPRESSURE: 3633200 139.454 83.3086 -30.469 -15.5646 137.523 -0.900948 -2.47064 25.694 107.691 PRESSAVG: 3633200 -7.84965 -51.0762 -26.4727 -51.0762 -6.2369 14.3609 -26.4728 14.3609 14.9307 GPRESSAVG: 3633200 -9.74322 -49.9754 -25.6061 -51.7945 -5.69408 15.7328 -25.398 13.6474 15.7093 TIMING: 3633200 CPU: 11480.6, 0.00315596/step Wall: 11480.6, 0.00315596/step, 1.19821 hours remaining, 236.039062 MB of memory in use. ENERGY: 3633200 3898.4374 20441.3491 14464.3280 248.7476 -202842.7183 2359.4937 0.0000 0.0000 52271.1972 -109159.1652 300.4033 -161430.3624 -108790.0690 299.6443 107.4167 128.2228 763025.8441 0.2814 0.0907 PRESSURE: 3633400 -196.263 44.5913 -246.373 44.591 -68.5671 -6.78629 -246.374 -6.78612 307.103 GPRESSURE: 3633400 -230.779 14.6828 -177.624 -52.6113 25.9744 37.8269 -175.325 -39.4485 334.929 PRESSAVG: 3633400 -28.905 -68.2219 -46.2093 -68.222 21.9989 -5.71861 -46.2094 -5.71849 9.87192 GPRESSAVG: 3633400 -28.5389 -67.6423 -46.3639 -69.5664 22.5939 -7.09971 -47.5652 -5.80246 9.26409 TIMING: 3633400 CPU: 11481.2, 0.00315293/step Wall: 11481.2, 0.00315293/step, 1.19689 hours remaining, 236.039062 MB of memory in use. ENERGY: 3633400 4042.0126 20572.6459 14507.8733 254.9078 -203329.2402 2668.1267 0.0000 0.0000 52082.1465 -109201.5273 299.3168 -161283.6738 -108846.2402 299.7613 14.0912 43.3748 762915.2183 0.9886 1.1063 PRESSURE: 3633600 161.789 1.9828 170.034 1.98342 176.611 20.5481 170.035 20.548 -92.8527 GPRESSURE: 3633600 195.003 73.3458 272.809 -11.1986 234.941 118.684 53.4641 36.0118 -98.8806 PRESSAVG: 3633600 -61.9035 -30.1919 -39.1301 -30.1919 21.0107 59.2883 -39.1301 59.2883 -25.8503 GPRESSAVG: 3633600 -61.9948 -30.7499 -39.8322 -28.5018 21.4436 58.2615 -37.535 59.8158 -25.8739 TIMING: 3633600 CPU: 11481.8, 0.00315603/step Wall: 11481.8, 0.00315603/step, 1.19789 hours remaining, 236.039062 MB of memory in use. ENERGY: 3633600 4041.4062 20415.2175 14438.6101 265.6796 -203178.0807 2651.5335 0.0000 0.0000 52138.0306 -109227.6031 299.6380 -161365.6337 -108859.4330 299.5695 81.8492 110.3544 761709.3682 -22.2477 -22.1417 PRESSURE: 3633800 32.9499 -446.811 -427.531 -446.811 -84.9296 -41.2805 -427.532 -41.2808 -179.132 GPRESSURE: 3633800 22.1335 -451.446 -381.231 -336.573 -48.6075 -44.7348 -315.707 -90.3951 -128.829 PRESSAVG: 3633800 13.0576 -64.0333 -1.6385 -64.0332 1.34215 -3.25191 -1.63852 -3.25197 4.25236 GPRESSAVG: 3633800 13.372 -64.045 -0.458391 -63.3351 0.544714 -0.382769 -3.2239 -5.29472 4.5177 TIMING: 3633800 CPU: 11482.5, 0.00314603/step Wall: 11482.5, 0.00314603/step, 1.19392 hours remaining, 236.039062 MB of memory in use. ENERGY: 3633800 3898.6730 20378.6023 14553.9228 241.0733 -202182.6376 2110.9503 0.0000 0.0000 51892.1938 -109107.2222 298.2252 -160999.4160 -108744.3378 299.4559 -77.0374 -51.7678 763233.2475 6.2174 6.1448 PRESSURE: 3634000 35.6992 51.0648 178.904 51.0643 -195.255 141.105 178.904 141.105 -352.24 GPRESSURE: 3634000 7.87886 -22.847 90.0749 54.4505 -173.226 169.805 300.476 140.296 -256.482 PRESSAVG: 3634000 5.42203 -85.3721 -43.0302 -85.3721 35.6199 8.1891 -43.0302 8.18914 -15.1493 GPRESSAVG: 3634000 4.99991 -85.3352 -42.8251 -86.2084 35.9915 5.50163 -41.3612 7.92975 -14.3762 TIMING: 3634000 CPU: 11483.1, 0.00316059/step Wall: 11483.1, 0.00316059/step, 1.19927 hours remaining, 236.039062 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: 3634000 3940.2225 20439.4721 14533.5448 246.1613 -202526.9900 2285.0011 0.0000 0.0000 51903.9713 -109178.6169 298.2928 -161082.5882 -108825.6746 299.5736 -170.5989 -140.6095 763062.5253 8.6309 8.8717 PRESSURE: 3634200 359.97 -89.775 133.22 -89.7762 -319.975 -161.881 133.22 -161.881 199.666 GPRESSURE: 3634200 332.688 -118.33 114.427 -35.7276 -190.962 -184.475 157.695 -83.0426 188.715 PRESSAVG: 3634200 3.87417 -42.5702 -5.66043 -42.5702 50.4341 6.13987 -5.66035 6.13992 -0.0811442 GPRESSAVG: 3634200 5.31713 -41.7437 -5.79008 -41.6918 50.6773 6.4566 -6.48837 8.93723 -1.54481 TIMING: 3634200 CPU: 11483.7, 0.00316509/step Wall: 11483.7, 0.00316509/step, 1.2008 hours remaining, 236.039062 MB of memory in use. ENERGY: 3634200 3903.1060 20527.3459 14561.2441 239.4563 -203287.2616 2676.4662 0.0000 0.0000 52072.1157 -109307.5274 299.2592 -161379.6431 -108949.2770 299.2513 79.8870 110.1469 760306.4693 18.0757 18.1499 PRESSURE: 3634400 284.813 -74.2594 -192.529 -74.2596 178.579 44.9839 -192.528 44.9835 150.39 GPRESSURE: 3634400 329.253 -16.3776 -104.202 -38.2464 213.737 64.0108 -160.64 -54.1187 160.841 PRESSAVG: 3634400 22.2838 -18.523 -20.5803 -18.5231 -15.6477 -37.6148 -20.5803 -37.6148 -22.9051 GPRESSAVG: 3634400 22.5013 -19.1186 -20.2494 -19.0374 -16.3097 -36.7684 -20.0531 -38.7514 -22.4184 TIMING: 3634400 CPU: 11484.4, 0.00315917/step Wall: 11484.4, 0.00315917/step, 1.19838 hours remaining, 236.039062 MB of memory in use. ENERGY: 3634400 4009.7194 20563.8003 14466.3057 242.3573 -202704.2552 2143.3102 0.0000 0.0000 52052.6658 -109226.0965 299.1474 -161278.7623 -108861.3357 299.7882 204.5940 234.6105 760147.1936 -5.4230 -5.4089 PRESSURE: 3634600 -128.515 -206.219 -113.213 -206.219 -423.213 40.527 -113.212 40.5266 384.094 GPRESSURE: 3634600 -15.4405 -186.138 -105.688 -181.935 -417.284 73.1183 -104.242 -71.2295 340.038 PRESSAVG: 3634600 -20.2816 -51.0152 -24.2099 -51.0152 -29.8832 39.0418 -24.2099 39.0418 23.2431 GPRESSAVG: 3634600 -20.9921 -51.9995 -24.7526 -48.8641 -29.1395 38.5349 -24.5757 37.4864 23.1523 TIMING: 3634600 CPU: 11485, 0.00313256/step Wall: 11485, 0.00313256/step, 1.18811 hours remaining, 236.039062 MB of memory in use. ENERGY: 3634600 4005.7548 20536.0782 14552.7152 226.0387 -202883.9244 2344.6894 0.0000 0.0000 51865.0577 -109353.5904 298.0692 -161218.6481 -108994.2989 299.6827 -55.8778 -30.8953 759972.0569 -8.9739 -8.9931 PRESSURE: 3634800 -93.1946 38.2392 -26.0336 38.2393 -41.4627 193.819 -26.0337 193.819 -8.73038 GPRESSURE: 3634800 -98.7894 -37.8637 7.53253 -6.72518 -9.40443 36.1892 -123.513 165.03 48.9756 PRESSAVG: 3634800 -2.12279 -56.6957 -33.7746 -56.6957 -7.64577 -10.4783 -33.7746 -10.4782 -33.1385 GPRESSAVG: 3634800 -3.21307 -56.0494 -33.2951 -59.6499 -8.15271 -10.5472 -33.7633 -8.35804 -31.68 TIMING: 3634800 CPU: 11485.6, 0.00313711/step Wall: 11485.6, 0.00313711/step, 1.18966 hours remaining, 236.039062 MB of memory in use. ENERGY: 3634800 3982.5790 20581.7408 14466.3853 255.2402 -202767.1996 2137.0137 0.0000 0.0000 51854.5299 -109489.7107 298.0087 -161344.2406 -109132.4450 299.2499 -47.7959 -19.7394 761347.5698 -14.3024 -14.3486 PRESSURE: 3635000 -297.215 -101.94 85.9902 -101.94 -253.883 -51.5547 85.9907 -51.5542 -264.551 GPRESSURE: 3635000 -259.762 -138.137 17.7544 -18.5015 -215.375 3.11014 54.952 -32.9647 -283.827 PRESSAVG: 3635000 0.250778 -30.3055 -94.846 -30.3055 -18.6721 6.21008 -94.846 6.21009 9.96709 GPRESSAVG: 3635000 1.6205 -29.4144 -95.8305 -30.4076 -18.5348 6.22643 -96.2279 6.26654 8.27976 TIMING: 3635000 CPU: 11486.2, 0.00314284/step Wall: 11486.2, 0.00314284/step, 1.19166 hours remaining, 236.039062 MB of memory in use. ENERGY: 3635000 4140.9867 20559.1189 14475.9146 228.7287 -203178.9678 2510.7053 0.0000 0.0000 51880.3150 -109383.1985 298.1569 -161263.5135 -109035.7050 299.1532 -271.8827 -252.9882 760983.3909 -2.8181 -2.8782 PRESSURE: 3635200 215.031 159.994 -25.1898 159.995 367.355 59.4957 -25.1895 59.4951 -185.461 GPRESSURE: 3635200 261.379 15.1828 -8.35974 119.576 385.256 60.3089 -89.5116 79.9439 -166.437 PRESSAVG: 3635200 22.1014 -36.7691 34.0509 -36.769 2.03861 19.936 34.0509 19.9361 -0.685711 GPRESSAVG: 3635200 20.7282 -38.1695 32.8457 -36.6193 2.88767 17.7543 36.1042 20.2628 -0.567044 TIMING: 3635200 CPU: 11486.9, 0.00314636/step Wall: 11486.9, 0.00314636/step, 1.19282 hours remaining, 236.039062 MB of memory in use. ENERGY: 3635200 4023.9006 20543.4124 14443.9947 242.5770 -203193.3080 2528.3529 0.0000 0.0000 51899.6950 -109511.3754 298.2683 -161411.0704 -109152.0614 299.1223 132.3082 160.0661 761035.9897 7.8181 7.6829 PRESSURE: 3635400 228.08 184.848 -83.8214 184.848 -489.228 -27.6752 -83.8203 -27.6753 86.6593 GPRESSURE: 3635400 184.144 153.931 24.7996 254.818 -367.391 -74.2965 12.5247 55.9798 107.187 PRESSAVG: 3635400 27.3485 -67.1723 -3.13191 -67.1723 -13.1533 -21.9532 -3.13196 -21.9531 -11.2622 GPRESSAVG: 3635400 27.1494 -67.7207 -1.08784 -65.9718 -13.7485 -19.7042 -5.59115 -22.36 -10.5233 TIMING: 3635400 CPU: 11487.5, 0.00313773/step Wall: 11487.5, 0.00313773/step, 1.18938 hours remaining, 236.039062 MB of memory in use. ENERGY: 3635400 4050.8065 20540.7019 14413.4715 242.3188 -203185.5821 2473.0200 0.0000 0.0000 51937.2574 -109528.0060 298.4841 -161465.2634 -109165.4759 299.3317 -58.1628 -25.3531 761530.7666 0.9777 0.9592 PRESSURE: 3635600 -270.067 -20.4981 -108.773 -20.4971 -169.057 -133.17 -108.773 -133.171 157.224 GPRESSURE: 3635600 -193.281 -39.8983 -111.793 23.6159 -78.0962 -139.7 -64.8927 -158.407 92.7278 PRESSAVG: 3635600 -3.64147 -52.2501 10.0345 -52.25 -18.1314 -3.45441 10.0345 -3.4544 -3.70017 GPRESSAVG: 3635600 -1.96101 -50.5603 9.43066 -53.9327 -17.8346 -3.44983 11.3529 -5.49925 -5.79244 TIMING: 3635600 CPU: 11488.1, 0.00314098/step Wall: 11488.1, 0.00314098/step, 1.19043 hours remaining, 236.039062 MB of memory in use. ENERGY: 3635600 4072.6065 20363.4843 14442.4226 241.6482 -203740.7282 2655.4976 0.0000 0.0000 52336.8516 -109628.2175 300.7806 -161965.0691 -109260.2748 298.9812 -93.9670 -59.5497 759691.7545 -8.4910 -8.5294 PRESSURE: 3635800 -178.435 -361.862 -185.228 -361.863 -292.945 219.363 -185.226 219.364 -264.508 GPRESSURE: 3635800 -45.3886 -357.18 -27.3838 -396.16 -262.066 270.912 -235.491 305.109 -328.478 PRESSAVG: 3635800 -7.57454 -64.2008 -7.78705 -64.2008 41.9941 -37.2941 -7.78702 -37.294 9.66789 GPRESSAVG: 3635800 -8.67888 -66.3278 -5.81149 -62.6146 42.1507 -38.5958 -9.34493 -33.4727 10.6459 TIMING: 3635800 CPU: 11488.7, 0.00315058/step Wall: 11488.7, 0.00315058/step, 1.1939 hours remaining, 236.039062 MB of memory in use. ENERGY: 3635800 4105.3166 20493.7881 14363.4440 244.7129 -203202.9240 2381.2212 0.0000 0.0000 51966.7392 -109647.7019 298.6536 -161614.4411 -109287.5940 299.5882 -245.2960 -211.9772 761003.0094 14.6958 14.7059 PRESSURE: 3636000 244.828 -240.31 162.802 -240.31 393.055 -46.6075 162.802 -46.6081 476.181 GPRESSURE: 3636000 222.194 -102.281 215.034 -231.299 524.135 -74.9191 73.495 -44.9287 477.429 PRESSAVG: 3636000 13.0424 -49.6531 8.88273 -49.653 -16.1477 -2.57252 8.88274 -2.57249 -15.0522 GPRESSAVG: 3636000 12.9662 -45.1891 7.9981 -51.7311 -15.2817 -1.06687 8.67503 -6.61113 -15.5402 TIMING: 3636000 CPU: 11489.4, 0.00315199/step Wall: 11489.4, 0.00315199/step, 1.19426 hours remaining, 236.039062 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: 3636000 3897.3494 20493.0446 14451.4554 235.2086 -203778.9262 2876.9375 0.0000 0.0000 52084.8244 -109740.1064 299.3322 -161824.9308 -109378.4090 298.9414 371.3550 407.9193 760908.0637 -6.0525 -5.9519 PRESSURE: 3636200 101.3 80.6797 106.653 80.6796 111.35 233.933 106.653 233.933 45.4153 GPRESSURE: 3636200 87.757 115.701 -5.24604 40.3961 136.758 300.177 103.549 107.443 111.349 PRESSAVG: 3636200 31.5138 -36.7376 25.0024 -36.7377 -33.75 -4.00313 25.0024 -4.00311 1.32448 GPRESSAVG: 3636200 31.5012 -39.5406 23.5511 -35.7833 -34.8587 -5.76911 24.7282 -2.64853 2.70883 TIMING: 3636200 CPU: 11490, 0.00316922/step Wall: 11490, 0.00316922/step, 1.20061 hours remaining, 236.039062 MB of memory in use. ENERGY: 3636200 4009.1748 20609.5851 14424.1324 271.0134 -203670.2782 2704.5337 0.0000 0.0000 52116.9338 -109534.9049 299.5167 -161651.8387 -109177.1274 298.7368 86.0218 111.9545 762905.8547 -0.3039 -0.2162 LDB: ============= START OF LOAD BALANCING ============== 11502.5 LDB: ============== END OF LOAD BALANCING =============== 11502.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11502.5 LDB: ============= START OF LOAD BALANCING ============== 11502.9 LDB: Largest compute 7075 load 0.032414 is 16.6% of average load 0.195627 LDB: Average compute 0.004388 is 2.2% of average load 0.195627 LDB: TIME 11502.9 LOAD: AVG 0.195627 MAX 0.215802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.57 MB LDB: TIME 11502.9 LOAD: AVG 0.195627 MAX 0.215802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.57 MB LDB: TIME 11502.9 LOAD: AVG 0.195627 MAX 0.215802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.57 MB LDB: ============== END OF LOAD BALANCING =============== 11502.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11502.9 PRESSURE: 3636400 -105.379 -132.967 261.282 -132.967 27.5157 -31.9913 261.281 -31.9909 205.49 GPRESSURE: 3636400 -46.4115 -59.0827 334.204 -116.297 87.0173 -54.3868 253.946 -53.8971 156.682 PRESSAVG: 3636400 -67.3827 -48.6426 -26.3251 -48.6426 78.9936 -20.6443 -26.3252 -20.6443 11.5533 GPRESSAVG: 3636400 -67.0195 -49.7552 -25.6017 -45.6605 79.1773 -19.7189 -25.2914 -19.6793 10.2862 TIMING: 3636400 CPU: 11490.7, 0.00322463/step Wall: 11490.7, 0.00322463/step, 1.22142 hours remaining, 236.164062 MB of memory in use. ENERGY: 3636400 4039.7114 20568.3500 14461.4736 234.6715 -203531.7499 2602.8797 0.0000 0.0000 51862.7353 -109761.9285 298.0559 -161624.6638 -109392.4182 298.9101 42.5424 65.7626 761013.8454 7.7214 7.4814 PRESSURE: 3636600 10.9925 -108.394 -1.77105 -108.395 -292.131 27.3343 -1.77095 27.3341 63.8156 GPRESSURE: 3636600 87.3417 -85.9307 -10.1941 -257.775 -275.654 53.2316 25.4775 -44.4674 65.0232 PRESSAVG: 3636600 3.60829 -34.9079 31.4169 -34.9079 4.99244 24.4718 31.4169 24.4718 -22.9924 GPRESSAVG: 3636600 3.13881 -34.5005 30.5913 -38.6141 5.12687 24.9793 31.9439 23.7329 -22.2324 TIMING: 3636600 CPU: 11491.3, 0.00315827/step Wall: 11491.3, 0.00315827/step, 1.19611 hours remaining, 236.234375 MB of memory in use. ENERGY: 3636600 4081.1830 20481.4627 14443.0243 261.6552 -203515.0810 2669.6469 0.0000 0.0000 52039.4772 -109538.6316 299.0716 -161578.1089 -109179.2440 298.8543 -72.4408 -41.0962 761078.9283 -4.7972 -4.6556 PRESSURE: 3636800 255.587 -148.532 73.3615 -148.532 -232.2 260.867 73.3618 260.867 -334.148 GPRESSURE: 3636800 280.535 -92.4326 137.725 -183.077 -127.004 188.653 58.3575 294.235 -352.842 PRESSAVG: 3636800 -2.2421 -41.982 -14.5878 -41.982 -42.7764 49.1797 -14.5877 49.1797 -5.71761 GPRESSAVG: 3636800 -0.799004 -41.0727 -15.6249 -40.9179 -42.7801 48.0395 -14.4081 49.6902 -6.68907 TIMING: 3636800 CPU: 11491.9, 0.00313938/step Wall: 11491.9, 0.00313938/step, 1.18878 hours remaining, 236.234375 MB of memory in use. ENERGY: 3636800 4190.5407 20578.8365 14418.3859 238.0021 -203213.4210 2538.4490 0.0000 0.0000 51859.7484 -109389.4583 298.0387 -161249.2067 -109034.6907 298.9159 -103.5872 -66.4369 759685.9219 -16.9120 -16.7561 PRESSURE: 3637000 -26.3932 -84.8179 304.275 -84.8185 -89.1596 -83.2485 304.275 -83.2493 -124.076 GPRESSURE: 3637000 11.4028 -27.6305 312.31 -159.041 19.595 -73.0261 182.299 -193.892 -179.291 PRESSAVG: 3637000 -7.78638 -15.792 5.1963 -15.7921 -8.49478 31.0465 5.19628 31.0464 -6.21494 GPRESSAVG: 3637000 -8.58698 -16.3354 6.61134 -16.6164 -8.08543 32.0473 2.95425 28.0587 -5.23567 TIMING: 3637000 CPU: 11492.5, 0.0031567/step Wall: 11492.5, 0.0031567/step, 1.19516 hours remaining, 236.234375 MB of memory in use. ENERGY: 3637000 3986.2943 20424.7887 14437.2796 243.2825 -203211.2370 2409.1806 0.0000 0.0000 52096.9849 -109613.4264 299.4021 -161710.4113 -109239.1079 298.9884 -79.8764 -49.4310 759133.0927 -7.4987 -7.3027 PRESSURE: 3637200 -416.587 -3.65401 91.459 -3.6538 -133.905 29.7141 91.4597 29.7136 -372.704 GPRESSURE: 3637200 -374.419 23.0607 24.3599 -90.0714 -99.7034 31.0148 -11.2579 -175.381 -365.83 PRESSAVG: 3637200 -36.2695 -18.3612 -47.7793 -18.3611 15.3815 -23.9628 -47.7792 -23.9628 -21.5727 GPRESSAVG: 3637200 -36.2218 -19.204 -47.3479 -17.4377 15.4571 -24.6479 -45.0337 -23.1809 -21.6446 TIMING: 3637200 CPU: 11493.2, 0.0031622/step Wall: 11493.2, 0.0031622/step, 1.19707 hours remaining, 236.234375 MB of memory in use. ENERGY: 3637200 4028.3300 20394.7276 14480.1970 253.3786 -203407.3455 2389.2661 0.0000 0.0000 52055.6171 -109805.8290 299.1643 -161861.4461 -109432.7908 298.4796 -307.7321 -279.9843 760449.1654 -14.1536 -14.1364 PRESSURE: 3637400 190.632 -189.603 16.4713 -189.602 189.874 -170.118 16.4723 -170.118 -270.802 GPRESSURE: 3637400 110.674 -261.143 -30.3156 -184.284 282.343 -126.769 -1.01933 -164.278 -197.983 PRESSAVG: 3637400 21.6134 -12.8495 18.4614 -12.8496 -36.7682 28.5272 18.4614 28.5272 1.2998 GPRESSAVG: 3637400 21.0441 -10.993 18.4189 -11.3697 -36.4608 27.9029 17.7573 30.5708 0.440946 TIMING: 3637400 CPU: 11493.8, 0.00314632/step Wall: 11493.8, 0.00314632/step, 1.19088 hours remaining, 236.234375 MB of memory in use. ENERGY: 3637400 4050.7575 20435.6486 14548.4672 245.4227 -203482.1524 2847.4930 0.0000 0.0000 51774.8963 -109579.4670 297.5510 -161354.3633 -109216.3391 299.0430 36.5678 65.0111 762486.9298 -4.6183 -4.9919 PRESSURE: 3637600 -141.227 -122.938 150.587 -122.939 38.5913 -258.644 150.587 -258.644 153.961 GPRESSURE: 3637600 -100.621 -276.957 131.561 -75.9325 42.6916 -288.906 37.7658 -159.614 173.271 PRESSAVG: 3637600 -45.0004 -7.51759 7.547 -7.51761 -7.90735 -48.0676 7.54696 -48.0675 20.0724 GPRESSAVG: 3637600 -45.034 -8.49053 7.05285 -7.96109 -7.86756 -46.904 6.88057 -47.489 20.568 TIMING: 3637600 CPU: 11494.4, 0.00313621/step Wall: 11494.4, 0.00313621/step, 1.18688 hours remaining, 236.234375 MB of memory in use. ENERGY: 3637600 4004.8172 20498.4791 14408.7203 239.9678 -203005.8358 2434.1854 0.0000 0.0000 52105.0270 -109314.6390 299.4483 -161419.6661 -108948.3848 299.2713 17.1085 38.4473 761257.8259 -10.9451 -10.7779 PRESSURE: 3637800 -478.944 -61.0468 8.6021 -61.047 -195.746 75.6292 8.60229 75.6291 -380.875 GPRESSURE: 3637800 -408.551 -197.494 40.6693 -121.927 -174.28 182.174 -46.4116 101.301 -396.859 PRESSAVG: 3637800 15.7515 -20.4681 31.6651 -20.4681 -17.8783 -26.1365 31.6651 -26.1365 -12.0339 GPRESSAVG: 3637800 17.001 -19.8634 30.7095 -19.956 -19.1871 -25.9071 32.1281 -26.9822 -12.2137 TIMING: 3637800 CPU: 11495.1, 0.00315424/step Wall: 11495.1, 0.00315424/step, 1.19353 hours remaining, 236.234375 MB of memory in use. ENERGY: 3637800 3993.8623 20613.6561 14431.7309 236.4680 -202855.1414 2024.1208 0.0000 0.0000 51912.8033 -109642.5001 298.3436 -161555.3034 -109286.2147 299.0994 -351.8548 -326.5632 761892.0641 -4.7202 -4.7999 PRESSURE: 3638000 -161.62 -126.038 -95.1053 -126.038 -212.013 -138.709 -95.1053 -138.71 408.871 GPRESSURE: 3638000 -160.315 -103.116 -75.3004 -133.049 -61.5481 -116.346 -101.346 -151.302 329.474 PRESSAVG: 3638000 33.9593 -51.6676 -31.5963 -51.6676 -24.7431 -26.2456 -31.5963 -26.2456 -0.857724 GPRESSAVG: 3638000 33.5601 -50.2995 -29.5085 -54.3406 -23.9774 -26.3201 -33.3962 -26.8605 -1.48196 TIMING: 3638000 CPU: 11495.7, 0.00314784/step Wall: 11495.7, 0.00314784/step, 1.19093 hours remaining, 236.234375 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: 3638000 3924.7978 20431.6680 14487.8968 265.1901 -203151.8820 2546.4865 0.0000 0.0000 52003.1445 -109492.6983 298.8628 -161495.8428 -109126.7660 299.1539 11.7458 35.8704 761508.5136 2.7862 2.7002 PRESSURE: 3638200 98.0848 -311.014 -2.37206 -311.014 -17.2808 52.1985 -2.37246 52.1996 -21.6635 GPRESSURE: 3638200 198.08 -221.084 -72.545 -346.794 -77.1541 -8.24904 -60.9504 102.89 11.2249 PRESSAVG: 3638200 36.7616 -55.2622 -15.636 -55.2622 10.9551 26.2444 -15.6361 26.2444 -10.3221 GPRESSAVG: 3638200 37.3231 -55.8612 -17.057 -53.4167 9.46098 25.8703 -14.4335 27.2175 -9.73967 TIMING: 3638200 CPU: 11496.3, 0.0031546/step Wall: 11496.3, 0.0031546/step, 1.19332 hours remaining, 236.234375 MB of memory in use. ENERGY: 3638200 4011.3261 20562.0683 14412.3705 231.6229 -203559.5948 2516.3099 0.0000 0.0000 52337.9075 -109487.9896 300.7867 -161825.8971 -109128.1673 299.9847 19.7135 44.0502 757457.8969 12.4649 12.3481 PRESSURE: 3638400 -48.4206 34.9237 77.7775 34.9228 203.835 138.946 77.7774 138.946 -252.692 GPRESSURE: 3638400 15.8929 -33.7582 109.151 -9.61605 218.493 100.08 -30.7818 25.9034 -247.985 PRESSAVG: 3638400 14.3878 0.95897 -31.7652 0.958952 13.6676 7.73878 -31.7652 7.73876 -9.69015 GPRESSAVG: 3638400 13.2369 -0.216485 -31.9078 -0.375322 14.0244 6.16247 -30.9658 5.79261 -9.38966 TIMING: 3638400 CPU: 11497, 0.00314699/step Wall: 11497, 0.00314699/step, 1.19026 hours remaining, 236.234375 MB of memory in use. ENERGY: 3638400 4023.1692 20477.6925 14486.4156 263.3332 -203191.1524 2371.4715 0.0000 0.0000 51995.7608 -109573.3096 298.8204 -161569.0704 -109210.9913 299.2476 -32.4261 -4.5331 760591.1163 6.1217 5.9572 PRESSURE: 3638600 49.7809 213.497 -31.3643 213.497 144.764 -150.992 -31.3638 -150.992 0.787309 GPRESSURE: 3638600 90.8149 249.638 -103.84 202.079 198.92 -176.354 -52.3059 -84.7993 -11.2351 PRESSAVG: 3638600 -49.6774 -19.7424 -50.9896 -19.7424 17.3632 -8.71554 -50.9897 -8.71558 12.1049 GPRESSAVG: 3638600 -48.4762 -19.7884 -49.7813 -19.0165 16.3313 -7.20342 -52.9022 -8.44966 11.3741 TIMING: 3638600 CPU: 11497.6, 0.00314962/step Wall: 11497.6, 0.00314961/step, 1.19108 hours remaining, 236.234375 MB of memory in use. ENERGY: 3638600 4056.9901 20479.7815 14425.1130 245.6391 -203333.0239 2517.2929 0.0000 0.0000 51953.6451 -109654.5621 298.5783 -161608.2072 -109284.8852 299.1448 65.1108 92.8333 759626.3646 -6.7364 -6.9236 PRESSURE: 3638800 -109.847 21.1746 29.656 21.1748 195.122 -144.185 29.6562 -144.184 139.789 GPRESSURE: 3638800 -27.4162 -48.043 87.9181 -18.8276 205.795 -103.25 73.4282 -147.97 117.983 PRESSAVG: 3638800 40.6008 40.2508 21.7982 40.2508 -28.5767 4.9696 21.7982 4.96966 9.75726 GPRESSAVG: 3638800 39.5784 39.8755 21.6811 39.3137 -27.9393 4.35583 22.8722 6.64135 10.2406 TIMING: 3638800 CPU: 11498.2, 0.00313395/step Wall: 11498.2, 0.00313395/step, 1.18498 hours remaining, 236.234375 MB of memory in use. ENERGY: 3638800 3932.2147 20455.2434 14432.4600 251.2492 -203892.0182 2733.6900 0.0000 0.0000 52171.2200 -109915.9410 299.8287 -162087.1609 -109541.3807 298.4245 75.0211 98.7873 760842.7468 7.2604 7.2932 PRESSURE: 3639000 -589.911 59.4214 -181.147 59.4211 -203.323 254.509 -181.147 254.508 -188.868 GPRESSURE: 3639000 -517.397 19.9598 -132.734 111.007 -104.131 225.899 -157.151 220.279 -290.229 PRESSAVG: 3639000 7.61462 -27.7745 -94.8791 -27.7744 12.8437 -1.80364 -94.879 -1.80366 -17.6457 GPRESSAVG: 3639000 7.36041 -25.4664 -95.2363 -26.5482 13.2899 -1.47885 -92.7402 -2.03778 -18.384 TIMING: 3639000 CPU: 11498.8, 0.00313246/step Wall: 11498.8, 0.00313246/step, 1.18424 hours remaining, 236.234375 MB of memory in use. ENERGY: 3639000 4060.9206 20609.8696 14496.9718 264.7806 -203213.6862 2302.3924 0.0000 0.0000 51793.6912 -109685.0600 297.6591 -161478.7512 -109338.4596 298.2182 -327.3675 -303.9187 761909.9143 0.9376 0.7554 PRESSURE: 3639200 115.641 -288.098 -148.071 -288.098 -19.4955 217.26 -148.07 217.259 51.643 GPRESSURE: 3639200 129.336 -279.919 -187.331 -243.92 34.1546 255.09 -120.563 118.048 59.4449 PRESSAVG: 3639200 14.6858 -3.66153 -97.2643 -3.66158 -52.1653 88.4507 -97.2644 88.4507 0.501545 GPRESSAVG: 3639200 14.6868 -7.09478 -96.6646 -2.17583 -52.5025 87.6277 -97.7639 88.1853 0.043452 TIMING: 3639200 CPU: 11499.5, 0.00314087/step Wall: 11499.5, 0.00314087/step, 1.18725 hours remaining, 236.234375 MB of memory in use. ENERGY: 3639200 3945.7805 20375.7269 14439.7487 244.2615 -203451.2778 2692.0144 0.0000 0.0000 52100.0180 -109653.7278 299.4195 -161753.7458 -109298.3822 298.5650 49.2627 74.3118 762197.3567 -12.3260 -12.5907 PRESSURE: 3639400 39.7166 -147.196 24.9099 -147.196 -206.162 -20.4544 24.9099 -20.4539 -293.997 GPRESSURE: 3639400 11.3456 -137.23 140.716 -95.1745 -206.694 -56.0012 -20.1477 -10.6816 -195.153 PRESSAVG: 3639400 31.0962 -48.9437 -10.73 -48.9438 6.7932 22.9771 -10.7301 22.9771 13.0609 GPRESSAVG: 3639400 30.6245 -46.5977 -11.6946 -47.0303 6.30885 25.8381 -11.2737 23.1514 14.0432 TIMING: 3639400 CPU: 11500.1, 0.00314412/step Wall: 11500.1, 0.00314412/step, 1.1883 hours remaining, 236.234375 MB of memory in use. ENERGY: 3639400 3995.8406 20652.9564 14499.6390 237.9974 -203087.3908 2290.3398 0.0000 0.0000 51818.4397 -109592.1779 297.8013 -161410.6176 -109248.5017 298.7541 -153.4807 -130.1672 761295.8430 16.9834 16.9922 PRESSURE: 3639600 -3.34285 -40.6958 -109.799 -40.696 125.23 -73.6566 -109.799 -73.6565 7.33776 GPRESSURE: 3639600 -23.87 -161.326 -132.391 -49.8508 237.419 -46.5104 -74.8106 -208.752 -6.46557 PRESSAVG: 3639600 43.142 -13.6084 0.264126 -13.6084 -22.0401 -15.7053 0.264136 -15.7053 -2.50591 GPRESSAVG: 3639600 43.1198 -14.887 0.471821 -17.791 -20.8363 -16.4023 -1.12438 -16.4348 -2.90498 TIMING: 3639600 CPU: 11500.7, 0.00313436/step Wall: 11500.7, 0.00313436/step, 1.18444 hours remaining, 236.234375 MB of memory in use. ENERGY: 3639600 3958.9910 20269.0392 14486.4129 265.9912 -203210.2592 2534.8180 0.0000 0.0000 51954.5315 -109740.4753 298.5834 -161695.0069 -109379.5758 298.5766 43.0751 69.0280 761023.0162 6.1987 6.4595 PRESSURE: 3639800 170.529 101.658 -224.585 101.658 322.214 -19.2185 -224.585 -19.2187 252.826 GPRESSURE: 3639800 305.032 93.3044 -201.192 -2.26613 313.842 82.0255 -185.268 -65.0848 212.659 PRESSAVG: 3639800 -57.2878 -35.0925 -23.2342 -35.0925 36.0367 -15.5431 -23.2342 -15.543 -23.3325 GPRESSAVG: 3639800 -57.2164 -35.5422 -24.0176 -32.8343 35.7916 -15.1345 -23.1513 -17.5877 -22.7398 TIMING: 3639800 CPU: 11501.4, 0.00316037/step Wall: 11501.4, 0.00316037/step, 1.19409 hours remaining, 236.234375 MB of memory in use. ENERGY: 3639800 3901.9688 20328.0810 14526.6047 250.7841 -203550.2465 2792.2530 0.0000 0.0000 52179.4630 -109571.0921 299.8761 -161750.5550 -109204.4978 298.6170 248.5230 277.1775 761379.9574 -14.8612 -14.7215 PRESSURE: 3640000 216.388 -128.641 109.219 -128.64 317.631 -53.6965 109.219 -53.697 136.635 GPRESSURE: 3640000 175.114 -165.483 91.9582 -156.227 378.268 -79.8373 -7.92407 -53.8782 218.883 PRESSAVG: 3640000 -48.0447 -38.7589 -25.6943 -38.7588 30.2163 -47.8679 -25.6944 -47.868 2.11273 GPRESSAVG: 3640000 -47.8976 -40.0471 -23.5982 -39.8998 29.8392 -48.245 -26.8788 -46.925 1.96635 TIMING: 3640000 CPU: 11502, 0.00315211/step Wall: 11502, 0.00315211/step, 1.1908 hours remaining, 236.234375 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: 3640000 4023.7804 20357.9251 14497.9345 239.2896 -203694.4898 2864.2953 0.0000 0.0000 52120.0429 -109591.2221 299.5346 -161711.2650 -109227.1185 298.6772 223.5517 257.4219 761295.2043 -5.2386 -5.3640 PRESSURE: 3640200 138.141 72.4743 -167.552 72.4752 -363.499 -112.834 -167.552 -112.833 -88.045 GPRESSURE: 3640200 187.228 171.148 -229.817 45.2426 -327.744 -76.6363 -120.2 -94.1702 -64.2439 PRESSAVG: 3640200 -52.1372 23.4221 -28.795 23.4221 92.6221 -16.7461 -28.7949 -16.746 -0.904949 GPRESSAVG: 3640200 -52.2819 25.5939 -29.22 20.6771 93.205 -16.8913 -29.5578 -15.169 -1.15323 TIMING: 3640200 CPU: 11502.6, 0.00314661/step Wall: 11502.6, 0.00314661/step, 1.18854 hours remaining, 236.234375 MB of memory in use. ENERGY: 3640200 4021.6386 20423.2039 14387.0122 239.4771 -203143.1689 2487.6988 0.0000 0.0000 52135.7563 -109448.3819 299.6249 -161584.1383 -109100.1181 299.0394 -104.4676 -68.2533 762158.1286 13.1933 13.2566 LDB: ============= START OF LOAD BALANCING ============== 11515.1 LDB: ============== END OF LOAD BALANCING =============== 11515.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11515.2 LDB: ============= START OF LOAD BALANCING ============== 11515.5 LDB: Largest compute 7075 load 0.032667 is 16.7% of average load 0.195537 LDB: Average compute 0.004373 is 2.2% of average load 0.195537 LDB: TIME 11515.5 LOAD: AVG 0.195537 MAX 0.214845 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.777 MB LDB: TIME 11515.5 LOAD: AVG 0.195537 MAX 0.214845 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.984 MB LDB: TIME 11515.5 LOAD: AVG 0.195537 MAX 0.214845 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.984 MB LDB: ============== END OF LOAD BALANCING =============== 11515.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11515.5 PRESSURE: 3640400 -312.186 -16.4838 129.762 -16.4833 75.6602 72.0266 129.762 72.0266 295.382 GPRESSURE: 3640400 -257.675 74.8167 80.8009 -5.18426 55.2246 33.8014 9.71678 116.722 339.054 PRESSAVG: 3640400 -28.742 31.2299 -30.2138 31.2299 -8.82479 -11.7619 -30.2139 -11.762 -6.34122 GPRESSAVG: 3640400 -29.087 30.6872 -31.7909 32.6349 -8.14547 -12.4539 -29.9981 -12.2271 -6.85132 TIMING: 3640400 CPU: 11503.3, 0.00321938/step Wall: 11503.3, 0.00321938/step, 1.21585 hours remaining, 235.394531 MB of memory in use. ENERGY: 3640400 3962.6053 20402.5025 14433.4594 256.1099 -203349.6014 2580.5233 0.0000 0.0000 52244.0996 -109470.3014 300.2476 -161714.4010 -109103.3293 299.0367 19.6189 45.5344 761425.2481 -14.6360 -14.6946 PRESSURE: 3640600 68.4524 -102.931 -51.4533 -102.931 -151.259 -105.461 -51.4533 -105.46 -293.056 GPRESSURE: 3640600 63.297 -109.2 -153.359 -96.1943 -69.735 -131.121 72.3346 -241.267 -270.379 PRESSAVG: 3640600 -11.6539 -5.84231 -15.6647 -5.84229 -14.3622 -44.7575 -15.6647 -44.7575 3.38621 GPRESSAVG: 3640600 -11.9684 -4.60336 -15.1867 -3.99667 -14.0423 -43.5071 -13.0257 -47.2149 3.31163 TIMING: 3640600 CPU: 11503.9, 0.00316759/step Wall: 11503.9, 0.00316759/step, 1.19612 hours remaining, 235.597656 MB of memory in use. ENERGY: 3640600 3958.8062 20269.8536 14472.0229 255.5399 -203204.3992 2810.3824 0.0000 0.0000 51980.6457 -109457.1485 298.7335 -161437.7942 -109082.4877 298.7574 -125.2874 -92.2725 763726.4041 -7.5433 -7.5663 PRESSURE: 3640800 49.2484 34.4998 38.1106 34.4997 -49.4081 -21.3248 38.1097 -21.3258 266.993 GPRESSURE: 3640800 146.12 22.7941 -9.98603 26.6819 -36.4167 -21.9221 0.662664 156.801 258.685 PRESSAVG: 3640800 3.40781 -3.74432 -31.8222 -3.74436 -15.3733 10.3937 -31.8222 10.3936 -13.7204 GPRESSAVG: 3640800 3.80489 -2.57011 -31.2914 -7.53834 -15.6591 8.19847 -33.7878 15.4443 -13.852 TIMING: 3640800 CPU: 11504.5, 0.0031467/step Wall: 11504.5, 0.0031467/step, 1.18806 hours remaining, 235.597656 MB of memory in use. ENERGY: 3640800 4002.1852 20331.0417 14386.0029 233.8409 -203131.0277 2675.7428 0.0000 0.0000 52209.8833 -109292.3309 300.0509 -161502.2142 -108923.5364 299.3112 88.9445 122.7962 762423.5792 -8.5620 -8.5687 PRESSURE: 3641000 -480.933 -57.0912 -185.359 -57.0916 -262.085 -147.965 -185.359 -147.965 -150.48 GPRESSURE: 3641000 -397.965 -63.5557 -214.424 -7.55459 -260.663 -63.2247 -114.234 -128.239 -144.556 PRESSAVG: 3641000 -21.8726 -15.7643 13.2124 -15.7643 12.5235 -0.994982 13.2124 -0.994978 25.8958 GPRESSAVG: 3641000 -21.774 -19.257 11.4842 -10.7776 11.5407 0.853308 16.925 -5.02095 26.79 TIMING: 3641000 CPU: 11505.2, 0.00314244/step Wall: 11505.2, 0.00314244/step, 1.18627 hours remaining, 235.597656 MB of memory in use. ENERGY: 3641000 4052.5970 20594.8027 14445.4127 227.7859 -202545.1552 2118.8977 0.0000 0.0000 51840.1198 -109265.5395 297.9259 -161105.6593 -108919.6035 299.0775 -297.8327 -267.7279 762656.7508 5.5155 5.5189 PRESSURE: 3641200 53.4157 -152.201 44.5949 -152.202 -456.516 -181.386 44.5942 -181.385 -72.6452 GPRESSURE: 3641200 -54.3805 -88.8828 -20.9831 -214.48 -252.155 -208.152 -111.377 -182.437 -94.7766 PRESSAVG: 3641200 2.04003 70.2995 -33.3998 70.2995 22.5775 -27.4407 -33.3998 -27.4407 -10.9135 GPRESSAVG: 3641200 2.21502 71.6412 -32.3564 69.6235 23.4639 -30.4859 -36.2706 -24.8812 -12.1137 TIMING: 3641200 CPU: 11505.8, 0.00315464/step Wall: 11505.8, 0.00315464/step, 1.1907 hours remaining, 235.597656 MB of memory in use. ENERGY: 3641200 4040.3466 20645.3529 14406.9967 256.8104 -203029.5949 2276.1367 0.0000 0.0000 52196.6467 -109207.3048 299.9748 -161403.9515 -108846.8109 299.9659 -158.5817 -133.7708 760763.7813 4.5680 4.5218 PRESSURE: 3641400 120.24 323.541 -166.829 323.541 -237.287 -3.51142 -166.829 -3.51117 -267.734 GPRESSURE: 3641400 177.767 293.02 -127.162 173.554 -171.837 23.8802 -156.584 -36.1878 -295.668 PRESSAVG: 3641400 64.5349 -19.1863 -74.2639 -19.1863 -28.0639 1.54403 -74.2639 1.54401 -20.4116 GPRESSAVG: 3641400 63.0038 -18.223 -76.0342 -23.1187 -28.3532 6.59138 -71.6923 0.453279 -18.5318 TIMING: 3641400 CPU: 11506.4, 0.00315376/step Wall: 11506.4, 0.00315376/step, 1.19019 hours remaining, 235.597656 MB of memory in use. ENERGY: 3641400 4048.6196 20609.8345 14470.1831 235.1732 -202922.4473 2230.0674 0.0000 0.0000 52136.8909 -109191.6786 299.6314 -161328.5695 -108822.7359 299.8834 -128.2604 -96.5790 759456.7510 5.3531 5.3729 PRESSURE: 3641600 72.4345 137.825 -173.252 137.826 95.606 -236.689 -173.251 -236.69 402.974 GPRESSURE: 3641600 206.158 74.413 -183.108 121.154 67.5357 -253.103 -79.611 -216.876 390.975 PRESSAVG: 3641600 22.3632 14.1398 -49.2036 14.1398 -9.71836 14.7953 -49.2037 14.7953 22.1021 GPRESSAVG: 3641600 22.9895 11.9582 -48.9491 14.3454 -9.65034 12.7549 -50.6236 16.3648 21.5012 TIMING: 3641600 CPU: 11507, 0.00314262/step Wall: 11507, 0.00314262/step, 1.18581 hours remaining, 235.597656 MB of memory in use. ENERGY: 3641600 4036.7391 20567.6473 14495.2947 237.6304 -203374.7442 2801.8394 0.0000 0.0000 52049.0527 -109186.5405 299.1266 -161235.5932 -108820.2958 300.4460 190.3381 221.5561 758815.2709 11.5823 11.6134 PRESSURE: 3641800 -158.849 -27.1243 -158.89 -27.1245 -50.944 -46.6822 -158.89 -46.6811 18.3943 GPRESSURE: 3641800 -204.848 37.7504 -187.933 -113.803 41.2492 -41.4008 67.4703 -26.6281 55.9854 PRESSAVG: 3641800 39.6485 -8.08 -5.35155 -8.07997 -37.7451 -66.4526 -5.35152 -66.4525 5.78975 GPRESSAVG: 3641800 40.3723 -6.99434 -3.89272 -6.58484 -38.7489 -67.0355 -4.57894 -67.5767 6.44737 TIMING: 3641800 CPU: 11507.7, 0.00314084/step Wall: 11507.7, 0.00314084/step, 1.18497 hours remaining, 235.597656 MB of memory in use. ENERGY: 3641800 3957.9798 20776.3393 14398.0920 271.8171 -203255.9254 2538.8299 0.0000 0.0000 52210.6421 -109102.2252 300.0553 -161312.8673 -108743.9631 299.8511 -63.7995 -35.8711 760082.9115 2.5644 2.6902 PRESSURE: 3642000 -128.18 -100.839 17.0518 -100.84 -250.765 -121.895 17.0513 -121.894 174.006 GPRESSURE: 3642000 -123.429 -177.706 39.7843 -68.7486 -149.582 -50.3595 -119.034 -169.405 173.479 PRESSAVG: 3642000 26.7259 -37.2079 -30.6801 -37.208 0.0850552 22.0873 -30.6801 22.0873 -10.4611 GPRESSAVG: 3642000 26.1008 -36.9449 -31.9402 -37.8111 1.45176 21.8071 -30.6016 21.1588 -11.393 TIMING: 3642000 CPU: 11508.3, 0.00312428/step Wall: 11508.3, 0.00312428/step, 1.17855 hours remaining, 235.597656 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: 3642000 3984.4745 20494.9621 14382.9392 247.3298 -202989.2887 2412.4976 0.0000 0.0000 52402.2235 -109064.8620 301.1563 -161467.0855 -108701.5259 300.0581 -68.3130 -33.1774 761605.8767 5.4499 5.3865 PRESSURE: 3642200 -85.0677 184.443 -7.63994 184.445 23.9075 -64.2758 -7.63969 -64.2765 471.225 GPRESSURE: 3642200 -28.0505 175.749 -5.77765 112.27 56.7252 -109.554 45.9399 -44.5856 476.654 PRESSAVG: 3642200 39.2004 -62.9505 12.2311 -62.9505 -6.48047 2.68735 12.2311 2.68741 1.35967 GPRESSAVG: 3642200 39.6156 -62.7116 12.3288 -62.2608 -7.03628 2.97765 11.343 2.06668 1.1851 TIMING: 3642200 CPU: 11508.9, 0.00314569/step Wall: 11508.9, 0.00314569/step, 1.18645 hours remaining, 235.597656 MB of memory in use. ENERGY: 3642200 3965.5219 20660.2333 14512.0402 251.4604 -202954.3123 2561.1862 0.0000 0.0000 52122.2888 -108881.5816 299.5475 -161003.8704 -108522.7266 300.6541 136.6883 168.4428 762993.4926 11.3599 11.2548 PRESSURE: 3642400 -191.225 -52.6186 -153.137 -52.618 -52.9064 -170.872 -153.137 -170.872 -71.5583 GPRESSURE: 3642400 -88.9481 51.7542 -178.997 -102.411 -87.4191 -160.851 -32.9494 -107.452 -59.2636 PRESSAVG: 3642400 40.089 -22.0645 -3.88555 -22.0645 -8.96556 2.45803 -3.88551 2.45802 -7.91946 GPRESSAVG: 3642400 40.2419 -21.1692 -4.08431 -23.0621 -9.24878 3.06116 -1.87509 0.517262 -7.91463 TIMING: 3642400 CPU: 11509.6, 0.00314449/step Wall: 11509.6, 0.00314449/step, 1.18582 hours remaining, 235.597656 MB of memory in use. ENERGY: 3642400 3913.7449 20648.6688 14355.3370 234.9426 -203397.6369 2648.2674 0.0000 0.0000 52434.4314 -109162.2446 301.3414 -161596.6760 -108798.0346 300.3699 -105.2300 -78.5436 762914.0402 7.7347 7.6928 PRESSURE: 3642600 224.299 -105.134 182.34 -105.133 -117.881 -131.552 182.341 -131.552 41.1375 GPRESSURE: 3642600 263.594 -24.593 210.205 -25.3572 -57.0949 -148.856 189.319 -107.833 8.52343 PRESSAVG: 3642600 19.7134 -76.3796 -18.9227 -76.3796 -14.2505 -25.8768 -18.9226 -25.8767 1.43007 GPRESSAVG: 3642600 19.6468 -76.5025 -18.1775 -75.3469 -14.6235 -28.2175 -19.855 -21.2958 1.82703 TIMING: 3642600 CPU: 11510.2, 0.00315168/step Wall: 11510.2, 0.00315168/step, 1.18836 hours remaining, 235.597656 MB of memory in use. ENERGY: 3642600 3929.1304 20783.9041 14443.8947 259.3279 -203324.9028 2705.7939 0.0000 0.0000 52083.1979 -109119.6538 299.3229 -161202.8517 -108750.2887 300.0907 49.1853 71.6742 762510.6279 2.2977 2.2834 PRESSURE: 3642800 -94.8341 -123.397 -245.941 -123.396 -127.988 -40.0743 -245.942 -40.0746 -62.1907 GPRESSURE: 3642800 -65.6136 -118.185 -200.903 -150.966 -56.7216 -53.5191 -272.542 -14.8495 -74.5885 PRESSAVG: 3642800 -7.97407 -34.6194 -30.0757 -34.6194 64.7568 12.1591 -30.0756 12.1591 30.9636 GPRESSAVG: 3642800 -8.00597 -35.3247 -30.2836 -32.6271 65.4715 12.1893 -30.2793 10.8537 29.7774 TIMING: 3642800 CPU: 11510.8, 0.00313389/step Wall: 11510.8, 0.00313389/step, 1.18148 hours remaining, 235.597656 MB of memory in use. ENERGY: 3642800 3995.3487 20405.0326 14387.7129 261.3888 -203071.8221 2457.4855 0.0000 0.0000 52338.5089 -109226.3447 300.7901 -161564.8537 -108853.4490 299.8271 -95.0044 -65.6412 762816.4684 29.2488 29.0810 PRESSURE: 3643000 66.1078 -118.462 22.3052 -118.463 56.3176 121.055 22.3056 121.055 -404.079 GPRESSURE: 3643000 25.9906 -121.011 54.0274 5.29337 113.826 31.648 -19.3576 204.612 -331.145 PRESSAVG: 3643000 6.64476 -41.4249 -25.3636 -41.4248 -29.374 -45.8555 -25.3637 -45.8556 -24.2484 GPRESSAVG: 3643000 7.56951 -39.0111 -25.0245 -42.2756 -30.1976 -45.4776 -24.9456 -47.2055 -24.1968 TIMING: 3643000 CPU: 11511.4, 0.00314289/step Wall: 11511.4, 0.00314289/step, 1.18469 hours remaining, 235.597656 MB of memory in use. ENERGY: 3643000 3979.6755 20613.9885 14361.3085 248.2654 -203384.5171 2649.6235 0.0000 0.0000 52277.0362 -109254.6196 300.4368 -161531.6558 -108894.2792 299.9641 -93.8845 -63.7761 760201.6980 -15.6592 -15.6083 PRESSURE: 3643200 157.176 33.3115 -10.9676 33.3123 -210.267 -41.3182 -10.9671 -41.3199 104.596 GPRESSURE: 3643200 173.795 -64.8665 33.6093 -34.1572 -200.114 -23.4381 -41.0872 20.5359 152.204 PRESSAVG: 3643200 29.9648 -34.853 34.0036 -34.853 -24.0113 -14.3042 34.0036 -14.3042 13.3725 GPRESSAVG: 3643200 28.7431 -35.7261 33.0426 -36.6239 -23.2301 -13.6881 35.331 -11.965 13.5268 TIMING: 3643200 CPU: 11512.1, 0.00314441/step Wall: 11512.1, 0.00314441/step, 1.18509 hours remaining, 235.597656 MB of memory in use. ENERGY: 3643200 3975.4334 20378.7868 14345.4984 250.3696 -203287.0645 2559.7558 0.0000 0.0000 52127.1489 -109650.0716 299.5754 -161777.2205 -109286.1143 299.2977 17.1683 41.9615 760675.0544 6.4420 6.3466 PRESSURE: 3643400 -42.2931 -141.455 29.5441 -141.455 -440.796 -197.327 29.544 -197.327 -2.26332 GPRESSURE: 3643400 -0.682403 -97.4034 63.6567 -77.2165 -356.956 -220.575 53.1347 -225.489 -33.7816 PRESSAVG: 3643400 -63.7685 29.9492 5.24319 29.9493 56.5177 21.9343 5.2432 21.9343 11.3621 GPRESSAVG: 3643400 -63.5174 28.7071 5.75444 31.7381 55.8469 20.3156 4.82769 18.7319 11.9927 TIMING: 3643400 CPU: 11512.7, 0.00313694/step Wall: 11512.7, 0.00313694/step, 1.1821 hours remaining, 235.597656 MB of memory in use. ENERGY: 3643400 4026.8279 20476.1626 14349.1055 241.7710 -203233.0995 2434.0648 0.0000 0.0000 51959.6851 -109745.4825 298.6130 -161705.1676 -109390.0742 298.9811 -161.7843 -130.4732 761326.3996 1.3704 1.4408 PRESSURE: 3643600 -38.9946 -93.825 142.941 -93.8251 328.181 -122.086 142.94 -122.087 396.016 GPRESSURE: 3643600 11.0927 -146.633 96.5875 -104.176 310.494 -12.9325 152.586 -177.343 470.292 PRESSAVG: 3643600 -6.20659 -51.8891 -15.2694 -51.8891 13.0411 -42.0974 -15.2694 -42.0974 -5.4051 GPRESSAVG: 3643600 -7.31816 -51.4298 -15.4532 -54.5267 13.4748 -40.9298 -17.3327 -40.1327 -4.81475 TIMING: 3643600 CPU: 11513.3, 0.00313517/step Wall: 11513.3, 0.00313517/step, 1.18126 hours remaining, 235.597656 MB of memory in use. ENERGY: 3643600 3978.4531 20469.7006 14372.3008 217.6268 -203310.1831 2638.3751 0.0000 0.0000 52319.4480 -109314.2786 300.6806 -161633.7266 -108946.2359 299.1322 228.4008 263.9594 762410.8809 0.4765 0.4473 PRESSURE: 3643800 35.8255 10.21 240.67 10.2111 -341.559 -16.6712 240.67 -16.6709 -105.47 GPRESSURE: 3643800 58.3804 -6.27972 164.539 23.8008 -272.683 51.8317 246.07 3.89549 -118.532 PRESSAVG: 3643800 15.7954 20.0323 -48.973 20.0323 -4.89971 -13.1464 -48.973 -13.1464 14.9752 GPRESSAVG: 3643800 17.1815 20.0323 -48.2908 20.7353 -4.57553 -14.024 -47.5154 -10.9316 13.9996 TIMING: 3643800 CPU: 11514, 0.00314755/step Wall: 11514, 0.00314755/step, 1.18575 hours remaining, 235.597656 MB of memory in use. ENERGY: 3643800 4003.5944 20666.0374 14385.4342 245.7913 -203221.4312 2500.9236 0.0000 0.0000 52094.1017 -109325.5486 299.3855 -161419.6504 -108965.0103 299.2486 -137.0679 -110.9448 763361.4325 8.6236 8.8685 PRESSURE: 3644000 -237.871 34.3654 92.106 34.3645 -53.9428 175.388 92.1056 175.389 -57.5259 GPRESSURE: 3644000 -133.081 151.287 131.638 -31.3746 -96.26 123.129 80.5947 115.963 -45.2637 PRESSAVG: 3644000 68.1332 32.8575 0.271518 32.8575 -46.8569 46.5207 0.271465 46.5206 -1.83552 GPRESSAVG: 3644000 67.8565 32.604 -1.58039 31.8978 -46.1402 47.6507 -0.0358767 44.1572 -2.33614 TIMING: 3644000 CPU: 11514.6, 0.00314048/step Wall: 11514.6, 0.00314048/step, 1.18292 hours remaining, 235.597656 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: 3644000 3944.0096 20527.6308 14384.2937 234.4557 -202901.0413 2202.6615 0.0000 0.0000 52015.8534 -109592.1366 298.9358 -161607.9900 -109233.6205 299.1278 -116.4466 -91.5347 762350.6311 6.4803 6.4600 PRESSURE: 3644200 -339.35 -147.529 -216.142 -147.529 -135.685 -25.7795 -216.142 -25.7793 -314.593 GPRESSURE: 3644200 -279.473 -117.797 -220.016 -99.2891 -103.23 -54.5019 -34.2359 -4.50292 -300.207 PRESSAVG: 3644200 -1.50633 5.80605 -2.08243 5.80607 14.9469 -13.2175 -2.08237 -13.2175 13.5491 GPRESSAVG: 3644200 -1.92582 4.344 -0.821078 8.9809 15.213 -13.4499 -4.38233 -11.9322 13.4681 TIMING: 3644200 CPU: 11515.2, 0.00313983/step Wall: 11515.2, 0.00313983/step, 1.18249 hours remaining, 235.597656 MB of memory in use. ENERGY: 3644200 3966.0650 20436.6990 14387.3744 254.5322 -202901.3651 2220.7580 0.0000 0.0000 52045.8885 -109590.0479 299.1084 -161635.9364 -109227.3842 298.8111 -263.2095 -227.6364 761384.3834 8.9966 8.9184 LDB: ============= START OF LOAD BALANCING ============== 11527.7 LDB: ============== END OF LOAD BALANCING =============== 11527.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11527.7 LDB: ============= START OF LOAD BALANCING ============== 11528.1 LDB: Largest compute 7075 load 0.034554 is 17.7% of average load 0.195574 LDB: Average compute 0.004384 is 2.2% of average load 0.195574 LDB: TIME 11528.1 LOAD: AVG 0.195574 MAX 0.216185 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.469 MB LDB: TIME 11528.1 LOAD: AVG 0.195574 MAX 0.216185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.672 MB LDB: TIME 11528.1 LOAD: AVG 0.195574 MAX 0.216185 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.672 MB LDB: ============== END OF LOAD BALANCING =============== 11528.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11528.1 PRESSURE: 3644400 56.4557 -38.2847 13.3362 -38.2839 -17.6637 21.0994 13.3358 21.0988 -286.747 GPRESSURE: 3644400 57.9155 -29.512 75.8194 -9.84682 16.4169 43.4283 21.7171 12.9254 -214.517 PRESSAVG: 3644400 7.23363 -0.0724745 50.6034 -0.0723438 -0.380793 24.637 50.6035 24.6371 5.03129 GPRESSAVG: 3644400 7.71498 0.960529 51.1994 -1.77577 -1.30972 23.7262 52.032 24.7606 4.75862 TIMING: 3644400 CPU: 11515.8, 0.00320373/step Wall: 11515.8, 0.00320373/step, 1.20638 hours remaining, 235.984375 MB of memory in use. ENERGY: 3644400 3979.9330 20436.2120 14422.5415 265.2257 -203088.0011 2495.4544 0.0000 0.0000 51921.1786 -109567.4560 298.3917 -161488.6345 -109219.5022 298.9420 -82.6518 -46.7281 761061.2938 3.9614 3.7213 PRESSURE: 3644600 20.9604 -257.353 29.823 -257.352 -388.358 28.8387 29.8227 28.84 96.4123 GPRESSURE: 3644600 -10.8978 -289.466 -9.68546 -208.353 -317.006 63.2898 58.1588 -61.9749 117.08 PRESSAVG: 3644600 33.6476 -29.6436 18.6564 -29.6437 -32.268 13.3772 18.6564 13.3773 9.27315 GPRESSAVG: 3644600 32.7875 -31.1287 16.7556 -28.3917 -32.7328 14.2155 19.1805 12.3495 9.66313 TIMING: 3644600 CPU: 11516.5, 0.00314798/step Wall: 11516.5, 0.00314798/step, 1.18521 hours remaining, 236.460938 MB of memory in use. ENERGY: 3644600 3914.6619 20613.1114 14405.2188 258.9897 -203360.0774 2636.9092 0.0000 0.0000 52062.8729 -109468.3136 299.2060 -161531.1864 -109110.1501 299.2060 -90.3285 -70.2745 760402.7953 3.5509 3.2393 PRESSURE: 3644800 -99.5137 -9.40007 82.8876 -9.40038 -4.02615 87.6689 82.8874 87.6687 167.451 GPRESSURE: 3644800 -25.9637 -20.2736 54.5636 -79.2891 12.0633 28.6374 159.677 114.975 162.126 PRESSAVG: 3644800 -5.45621 7.05561 32.549 7.05563 4.23842 0.196852 32.5489 0.196823 -20.3645 GPRESSAVG: 3644800 -5.03645 8.50913 32.3217 4.34651 4.28534 0.450574 31.2603 0.0285952 -20.4538 TIMING: 3644800 CPU: 11517.1, 0.00316697/step Wall: 11517.1, 0.00316697/step, 1.19219 hours remaining, 236.519531 MB of memory in use. ENERGY: 3644800 3925.8779 20652.1296 14425.7536 244.1258 -203846.3892 2762.6834 0.0000 0.0000 52199.3808 -109636.4382 299.9906 -161835.8190 -109272.5235 299.8112 21.3037 49.4084 761325.4502 -7.1941 -7.0683 PRESSURE: 3645000 -47.0074 45.8087 -170.65 45.8081 245.512 50.237 -170.651 50.2377 436.531 GPRESSURE: 3645000 21.9474 -79.3843 -126.418 44.9284 254.287 50.9871 -102.986 -93.5664 436.863 PRESSAVG: 3645000 -47.4883 -16.3525 -11.3309 -16.3525 62.6576 -12.0105 -11.3308 -12.0105 22.6923 GPRESSAVG: 3645000 -48.4653 -16.8893 -8.69058 -15.3581 63.429 -12.7994 -11.2421 -13.586 22.4391 TIMING: 3645000 CPU: 11517.7, 0.00315688/step Wall: 11517.7, 0.00315688/step, 1.18822 hours remaining, 236.519531 MB of memory in use. ENERGY: 3645000 3984.0548 20569.8923 14375.7862 258.2378 -203394.9160 2626.3595 0.0000 0.0000 51999.2083 -109581.3772 298.8402 -161580.5855 -109223.1135 298.8299 211.6786 237.6992 761013.5692 12.6205 12.4676 PRESSURE: 3645200 -61.5985 -29.3328 5.15262 -29.3332 -279.581 4.02148 5.1527 4.02062 -326.639 GPRESSURE: 3645200 -9.17362 53.9689 57.8772 -96.3913 -210.26 63.4322 -9.1517 96.0491 -377.923 PRESSAVG: 3645200 8.2587 -9.48017 -6.3695 -9.48013 23.4394 11.0299 -6.36952 11.03 -8.95552 GPRESSAVG: 3645200 7.35646 -9.07478 -6.34553 -8.63591 23.9484 12.3326 -5.57004 10.4134 -8.23935 TIMING: 3645200 CPU: 11518.4, 0.00315986/step Wall: 11518.4, 0.00315986/step, 1.18916 hours remaining, 236.519531 MB of memory in use. ENERGY: 3645200 3963.2084 20572.6454 14460.2554 243.0252 -203061.8320 2203.0159 0.0000 0.0000 52082.8299 -109536.8517 299.3207 -161619.6816 -109171.7227 299.2230 -222.6062 -199.1190 760882.1714 7.5809 7.6885 PRESSURE: 3645400 -31.8102 81.4634 -290.692 81.4641 -51.5555 -139.585 -290.692 -139.585 57.4898 GPRESSURE: 3645400 30.298 56.5512 -317.035 130.435 -35.7109 -167.842 -165.406 -158.395 74.8503 PRESSAVG: 3645400 -20.9885 17.4124 -18.6057 17.4124 15.6608 -18.2282 -18.6057 -18.2282 -14.5288 GPRESSAVG: 3645400 -20.0373 16.2283 -21.3819 17.3416 13.547 -19.0951 -17.6325 -16.5459 -13.211 TIMING: 3645400 CPU: 11519, 0.00316319/step Wall: 11519, 0.00316319/step, 1.19024 hours remaining, 236.519531 MB of memory in use. ENERGY: 3645400 3985.5833 20669.4738 14421.4476 252.4657 -203950.2044 3126.8189 0.0000 0.0000 51739.4130 -109755.0021 297.3471 -161494.4151 -109407.4797 298.8444 -8.6253 23.1458 761782.8195 -6.6188 -6.5671 PRESSURE: 3645600 76.4349 98.1237 9.38441 98.1232 -336.124 -271.762 9.38404 -271.762 -309.008 GPRESSURE: 3645600 -7.98321 -17.6516 -57.0856 118.982 -216.974 -235.977 -3.69011 -215.048 -260.009 PRESSAVG: 3645600 48.7242 -41.892 -20.1142 -41.892 -15.7429 21.0191 -20.1142 21.0191 -2.54332 GPRESSAVG: 3645600 47.9954 -40.8505 -20.2859 -42.3434 -13.4597 21.5442 -19.5178 19.3745 -4.033 TIMING: 3645600 CPU: 11519.6, 0.00314526/step Wall: 11519.6, 0.00314527/step, 1.18332 hours remaining, 236.585938 MB of memory in use. ENERGY: 3645600 3949.5777 20406.5872 14463.3578 243.6739 -203231.2007 2287.8653 0.0000 0.0000 52012.1011 -109868.0377 298.9143 -161880.1388 -109508.8565 298.6741 -189.5657 -161.6555 760776.4246 10.1460 10.1676 PRESSURE: 3645800 120.384 -97.8226 85.4195 -97.8228 -142.337 94.3119 85.4196 94.3125 355.611 GPRESSURE: 3645800 157.67 46.417 97.137 -248.895 -133.275 92.36 66.9762 128.913 374.189 PRESSAVG: 3645800 -3.37253 -57.3339 -21.2425 -57.3339 11.7228 -7.86515 -21.2425 -7.86513 5.98823 GPRESSAVG: 3645800 -3.32496 -57.367 -20.4786 -58.5365 10.9926 -7.7241 -23.9129 -8.84548 6.30678 TIMING: 3645800 CPU: 11520.3, 0.00313494/step Wall: 11520.3, 0.00313494/step, 1.17926 hours remaining, 236.585938 MB of memory in use. ENERGY: 3645800 3975.9757 20530.1790 14426.6137 259.5480 -203526.9837 2672.8374 0.0000 0.0000 52048.3497 -109613.4802 299.1226 -161661.8299 -109249.4915 298.6466 111.2191 132.8612 761079.1991 4.7795 4.6581 PRESSURE: 3646000 215.057 -0.489765 134.749 -0.489594 198.306 32.2223 134.749 32.2229 315.535 GPRESSURE: 3646000 251.571 -56.5792 144.099 -0.991252 235.235 63.0728 160.209 54.5336 314.615 PRESSAVG: 3646000 15.229 -30.8514 14.2364 -30.8514 2.71955 14.2602 14.2364 14.2602 -2.79421 GPRESSAVG: 3646000 16.399 -31.3782 15.5476 -29.4624 0.884998 13.6132 13.2631 15.1624 -2.34216 TIMING: 3646000 CPU: 11520.9, 0.00313994/step Wall: 11520.9, 0.00313994/step, 1.18097 hours remaining, 236.585938 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: 3646000 3911.4401 20659.8840 14419.1445 230.7844 -203628.8669 2719.4513 0.0000 0.0000 52198.6659 -109489.4967 299.9865 -161688.1626 -109121.3850 299.3240 242.9658 267.1402 760474.6451 5.0515 4.9806 PRESSURE: 3646200 -346.403 -114.996 47.4481 -114.996 -328.772 6.59552 47.4475 6.59602 -249.542 GPRESSURE: 3646200 -327.421 -132.404 40.5598 -162.571 -286.858 52.8266 91.6655 -33.4965 -243.941 PRESSAVG: 3646200 -18.2204 -29.7438 -10.8251 -29.7438 9.75048 22.1713 -10.8251 22.1713 17.8733 GPRESSAVG: 3646200 -18.6248 -27.6879 -11.4496 -30.7432 11.3386 21.5852 -8.38965 23.0497 16.4926 TIMING: 3646200 CPU: 11521.5, 0.00312729/step Wall: 11521.5, 0.00312729/step, 1.17603 hours remaining, 236.585938 MB of memory in use. ENERGY: 3646200 3999.4942 20778.5217 14352.9066 250.9244 -203445.9872 2441.3611 0.0000 0.0000 52238.9420 -109383.8372 300.2179 -161622.7792 -109020.1466 299.4798 -308.2391 -286.0734 763135.7343 3.1345 3.0688 PRESSURE: 3646400 -305.12 74.0841 -15.2299 74.0835 20.9955 99.8671 -15.2305 99.867 78.1215 GPRESSURE: 3646400 -216.636 161.378 -9.01719 83.7431 -33.7774 56.8276 44.3564 11.5627 144.391 PRESSAVG: 3646400 -2.35788 -54.1351 -9.08153 -54.1351 10.0561 -14.2943 -9.08154 -14.2943 -2.11199 GPRESSAVG: 3646400 -2.00194 -53.9103 -8.01166 -52.2251 9.55183 -14.7198 -8.20531 -16.3583 -1.62785 TIMING: 3646400 CPU: 11522.1, 0.00313804/step Wall: 11522.1, 0.00313804/step, 1.1799 hours remaining, 236.585938 MB of memory in use. ENERGY: 3646400 3998.5130 20526.0583 14363.3914 251.2258 -203473.5458 2649.4305 0.0000 0.0000 52236.8445 -109448.0823 300.2059 -161684.9269 -109073.9914 299.4205 -68.6677 -35.3408 763020.6394 1.8621 1.9740 PRESSURE: 3646600 -1.53208 -97.4236 31.4028 -97.4233 276.748 246.56 31.4035 246.56 185.143 GPRESSURE: 3646600 87.1762 -10.9257 18.193 -96.3065 297.534 209.335 34.1244 257.647 169.807 PRESSAVG: 3646600 8.58529 -39.838 -42.5574 -39.838 15.0684 57.3976 -42.5575 57.3975 26.0776 GPRESSAVG: 3646600 7.60431 -40.0937 -43.4441 -39.3262 16.053 57.8404 -44.0617 58.4249 26.57 TIMING: 3646600 CPU: 11522.8, 0.00313009/step Wall: 11522.8, 0.00313009/step, 1.17674 hours remaining, 236.585938 MB of memory in use. ENERGY: 3646600 4008.4318 20567.7447 14421.0335 234.4821 -203622.1042 2886.2487 0.0000 0.0000 52024.2670 -109479.8964 298.9842 -161504.1634 -109122.7039 300.0726 153.4530 184.8389 761847.4539 16.5771 16.7424 PRESSURE: 3646800 -21.646 83.3906 -62.0347 83.3903 109.662 -129.382 -62.0349 -129.381 -1.76622 GPRESSURE: 3646800 18.594 105.349 5.64742 111.869 120.935 -119.148 -59.3989 -81.2503 1.4086 PRESSAVG: 3646800 37.5439 25.4809 -5.00075 25.481 16.2814 -24.7691 -5.00073 -24.769 36.0484 GPRESSAVG: 3646800 38.1264 24.2751 -4.64625 23.1542 16.7921 -23.9603 -3.46038 -23.8844 34.507 TIMING: 3646800 CPU: 11523.4, 0.00315034/step Wall: 11523.4, 0.00315034/step, 1.18418 hours remaining, 236.585938 MB of memory in use. ENERGY: 3646800 3969.0770 20490.1399 14411.4782 245.3724 -203670.8316 2730.9140 0.0000 0.0000 52174.8894 -109648.9608 299.8498 -161823.8502 -109282.9512 299.7945 28.7500 46.9792 761154.0339 29.9579 29.8085 PRESSURE: 3647000 -30.1852 10.7607 -349.661 10.7601 -270.794 6.35807 -349.661 6.3575 -252.267 GPRESSURE: 3647000 48.2349 2.34736 -272.225 -52.3659 -194.107 -25.0492 -360.07 134.427 -329.087 PRESSAVG: 3647000 4.83314 -2.55017 -50.5312 -2.55021 -30.0682 -21.1135 -50.5312 -21.1135 -14.9089 GPRESSAVG: 3647000 4.47638 -3.27969 -51.2377 -1.81786 -29.4943 -20.7834 -52.1094 -22.108 -14.8315 TIMING: 3647000 CPU: 11524, 0.00314594/step Wall: 11524, 0.00314594/step, 1.18235 hours remaining, 236.585938 MB of memory in use. ENERGY: 3647000 3963.3604 20501.7711 14428.4132 233.5658 -203034.3616 2204.0973 0.0000 0.0000 52096.2955 -109606.8585 299.3981 -161703.1540 -109245.0437 298.9384 -184.4154 -158.3200 762657.7003 -13.3813 -13.2831 PRESSURE: 3647200 139.638 27.7416 -44.3618 27.7419 -139.084 95.1181 -44.3618 95.1188 -223.575 GPRESSURE: 3647200 37.055 61.2298 -12.4778 37.7255 -41.0517 40.22 85.4718 0.049826 -118.183 PRESSAVG: 3647200 2.57241 -7.41505 12.4072 -7.41508 -8.47611 12.6023 12.4072 12.6022 4.97992 GPRESSAVG: 3647200 1.65871 -6.45533 12.6105 -6.83097 -9.22607 11.9817 13.6002 11.6312 6.03037 TIMING: 3647200 CPU: 11524.7, 0.00315184/step Wall: 11524.7, 0.00315184/step, 1.18439 hours remaining, 236.585938 MB of memory in use. ENERGY: 3647200 3989.0378 20672.4986 14452.7661 246.4394 -203080.2410 2320.2307 0.0000 0.0000 51884.5503 -109514.7182 298.1812 -161399.2685 -109161.5349 299.2988 -74.3403 -40.7267 762254.5643 -0.3079 -0.5123 PRESSURE: 3647400 -220.912 15.8325 40.1018 15.8328 19.4272 161.533 40.1031 161.533 -13.6103 GPRESSURE: 3647400 -159.678 54.6749 7.94336 32.8569 49.5668 123.007 -72.5482 84.0467 -10.7569 PRESSAVG: 3647400 5.53384 9.43101 42.3648 9.43094 18.284 -84.1468 42.3648 -84.1468 -13.0993 GPRESSAVG: 3647400 6.94666 10.4155 42.3532 8.80092 18.2994 -85.278 41.6243 -82.3787 -13.767 TIMING: 3647400 CPU: 11525.3, 0.00314701/step Wall: 11525.3, 0.00314701/step, 1.1824 hours remaining, 236.585938 MB of memory in use. ENERGY: 3647400 3971.7493 20386.5087 14471.7684 260.4339 -203625.6030 2558.1448 0.0000 0.0000 52343.9122 -109633.0856 300.8212 -161976.9978 -109260.6562 299.7578 -71.6985 -40.2894 760811.3552 3.5729 3.8264 PRESSURE: 3647600 -133.025 -53.8922 -3.73448 -53.8925 43.3855 -103.896 -3.73448 -103.895 -196.77 GPRESSURE: 3647600 -107.436 -28.7007 10.7402 -40.4919 49.3597 -90.4912 -40.49 -25.0803 -148.739 PRESSAVG: 3647600 7.50128 -20.3783 39.8619 -20.3783 -6.5727 -35.2453 39.8619 -35.2453 -3.00961 GPRESSAVG: 3647600 5.54874 -21.473 39.9899 -20.2375 -6.06057 -34.0493 40.3749 -36.0923 -1.25893 TIMING: 3647600 CPU: 11525.9, 0.00313475/step Wall: 11525.9, 0.00313475/step, 1.17762 hours remaining, 236.585938 MB of memory in use. ENERGY: 3647600 3958.6784 20667.8292 14453.1360 240.6934 -203726.7029 2506.8750 0.0000 0.0000 52052.1375 -109847.3536 299.1443 -161899.4911 -109485.4200 299.0065 -95.4701 -68.9383 759336.5063 -0.6937 -0.5903 PRESSURE: 3647800 -166.823 235.621 94.5692 235.62 114.676 -40.5541 94.5694 -40.5549 -352.064 GPRESSURE: 3647800 -223.252 85.087 110.624 121.804 152.121 7.5548 142.018 -23.9587 -260.661 PRESSAVG: 3647800 56.4649 -15.4736 60.7006 -15.4736 -45.9871 -1.90475 60.7005 -1.90468 21.446 GPRESSAVG: 3647800 57.6917 -14.9756 59.3268 -17.0372 -46.7954 -1.94395 61.9982 -3.041 21.3981 TIMING: 3647800 CPU: 11526.5, 0.00313682/step Wall: 11526.5, 0.00313682/step, 1.17822 hours remaining, 236.585938 MB of memory in use. ENERGY: 3647800 4066.4380 20544.8408 14436.0011 245.4700 -203596.6542 2591.6529 0.0000 0.0000 51844.3523 -109867.8991 297.9502 -161712.2515 -109493.4176 299.1919 -134.7369 -110.5975 759716.2701 10.6413 10.7648 PRESSURE: 3648000 76.2814 -45.4357 4.03361 -45.4352 -95.1393 -231.151 4.03425 -231.152 66.8967 GPRESSURE: 3648000 138.503 8.39788 36.8985 -187.805 -56.3011 -214.772 -3.03818 -125.835 67.669 PRESSAVG: 3648000 -56.3966 13.3204 56.6369 13.3204 58.7968 -25.0442 56.6369 -25.0442 -10.7951 GPRESSAVG: 3648000 -56.6109 12.0426 56.6547 13.6032 60.4289 -25.0103 55.5945 -25.1323 -12.4424 TIMING: 3648000 CPU: 11527.2, 0.00312706/step Wall: 11527.2, 0.00312706/step, 1.17439 hours remaining, 236.585938 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: 3648000 4073.6558 20344.5021 14372.5173 236.5350 -203421.8640 2479.6499 0.0000 0.0000 52132.5264 -109782.4775 299.6063 -161915.0039 -109407.7779 299.0288 16.0129 49.9568 760241.9667 -2.7983 -2.8748 PRESSURE: 3648200 -188.104 63.868 -39.8861 63.868 -99.1441 330.393 -39.8862 330.394 -131.574 GPRESSURE: 3648200 -154.742 85.357 -57.5475 79.5154 -24.2517 352.959 -3.73628 280.322 -154.348 PRESSAVG: 3648200 35.697 -31.2062 -42.3518 -31.2062 -32.4779 21.6529 -42.3518 21.6529 -1.8041 GPRESSAVG: 3648200 36.4869 -30.4272 -41.481 -30.2995 -33.5442 20.715 -43.4473 23.0482 -0.858896 TIMING: 3648200 CPU: 11527.8, 0.00313947/step Wall: 11527.8, 0.00313947/step, 1.17887 hours remaining, 236.585938 MB of memory in use. ENERGY: 3648200 4066.9253 20565.7966 14361.9858 245.8750 -203282.9087 2394.9694 0.0000 0.0000 51908.0004 -109739.3563 298.3160 -161647.3567 -109378.8145 299.0116 -139.6072 -111.1141 761497.6967 0.4716 0.6946 LDB: ============= START OF LOAD BALANCING ============== 11540.3 LDB: ============== END OF LOAD BALANCING =============== 11540.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11540.3 LDB: ============= START OF LOAD BALANCING ============== 11540.6 LDB: Largest compute 7075 load 0.034379 is 17.6% of average load 0.195542 LDB: Average compute 0.004403 is 2.3% of average load 0.195542 LDB: TIME 11540.6 LOAD: AVG 0.195542 MAX 0.216121 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.785 MB LDB: TIME 11540.6 LOAD: AVG 0.195542 MAX 0.216121 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: TIME 11540.6 LOAD: AVG 0.195542 MAX 0.216121 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.785 MB LDB: ============== END OF LOAD BALANCING =============== 11540.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11540.7 PRESSURE: 3648400 -127.813 -12.0908 -192.9 -12.0907 218.59 7.07694 -192.9 7.07731 -166.141 GPRESSURE: 3648400 -27.6688 -86.8648 -188.568 -61.0014 224.956 38.8776 -146.504 -112.399 -188.316 PRESSAVG: 3648400 4.50776 -30.0064 34.3025 -30.0064 -11.3872 -43.7243 34.3025 -43.7242 3.77871 GPRESSAVG: 3648400 3.89196 -31.6425 33.9686 -30.3617 -10.166 -43.5773 34.5315 -43.6708 3.28939 TIMING: 3648400 CPU: 11528.4, 0.00320418/step Wall: 11528.4, 0.00320418/step, 1.20299 hours remaining, 235.566406 MB of memory in use. ENERGY: 3648400 3972.5646 20533.7186 14425.5991 264.6062 -203558.7066 2548.6001 0.0000 0.0000 51883.8205 -109929.7975 298.1770 -161813.6180 -109567.8633 298.5052 -25.1211 2.9905 760701.4920 -1.0336 -0.9949 PRESSURE: 3648600 49.2934 114.665 144.442 114.666 -383.758 -94.8911 144.442 -94.8911 -210.463 GPRESSURE: 3648600 20.1452 -13.5401 34.727 218.029 -285.661 -98.3044 148.191 -173.967 -191.814 PRESSAVG: 3648600 -36.7128 -28.5765 -52.9463 -28.5766 -27.7668 28.0765 -52.9463 28.0765 -8.83131 GPRESSAVG: 3648600 -38.0748 -28.7126 -52.1879 -26.8042 -28.511 28.4225 -53.3936 25.3052 -7.01473 TIMING: 3648600 CPU: 11529.1, 0.0031607/step Wall: 11529.1, 0.0031607/step, 1.18649 hours remaining, 235.914062 MB of memory in use. ENERGY: 3648600 4017.5946 20426.1944 14366.2246 244.8549 -203320.6131 2528.2861 0.0000 0.0000 51886.0063 -109851.4522 298.1896 -161737.4585 -109493.6055 298.2692 -181.6425 -152.4432 762460.1829 -24.4370 -24.5335 PRESSURE: 3648800 76.5513 -147.834 -417.22 -147.834 36.1578 38.0114 -417.219 38.0103 240.566 GPRESSURE: 3648800 115.339 -66.3338 -341.742 -86.3674 94.091 59.3416 -258.799 75.208 225.755 PRESSAVG: 3648800 -34.5663 -33.5934 8.58914 -33.5934 22.1344 -25.0858 8.58914 -25.0859 0.960448 GPRESSAVG: 3648800 -34.051 -32.1914 8.51858 -33.5049 23.4658 -25.7511 9.1074 -23.0659 -0.692722 TIMING: 3648800 CPU: 11529.7, 0.00314722/step Wall: 11529.7, 0.00314722/step, 1.18126 hours remaining, 236.023438 MB of memory in use. ENERGY: 3648800 3976.8733 20524.4919 14407.8278 235.1225 -203502.7324 2728.7956 0.0000 0.0000 51768.4594 -109861.1618 297.5140 -161629.6212 -109505.1803 298.3615 117.7585 145.0614 761588.5002 -3.8238 -3.7593 PRESSURE: 3649000 -317.807 66.3742 297.057 66.3739 -51.2475 65.9173 297.056 65.9181 371.355 GPRESSURE: 3649000 -195.759 70.551 262.648 116.21 -44.3819 99.0909 249.745 34.0368 307.421 PRESSAVG: 3649000 -9.45555 -20.8906 68.8893 -20.8907 -21.2108 0.256073 68.8892 0.256016 -24.5198 GPRESSAVG: 3649000 -7.49293 -20.9574 68.3097 -23.7572 -22.2611 -0.36439 69.1821 4.3275 -25.7423 TIMING: 3649000 CPU: 11530.3, 0.0031413/step Wall: 11530.3, 0.0031413/step, 1.17886 hours remaining, 236.023438 MB of memory in use. ENERGY: 3649000 3957.1413 20413.1983 14435.0576 230.2529 -203086.1217 2388.9099 0.0000 0.0000 52046.9642 -109614.5973 299.1146 -161661.5615 -109246.0673 298.7249 0.7668 22.4267 761494.4203 -18.3954 -18.4988 PRESSURE: 3649200 -257.669 87.9715 238.065 87.9718 87.6235 139.196 238.064 139.195 -61.3237 GPRESSURE: 3649200 -244.161 -7.03024 184.768 41.1145 35.1038 105.015 165.05 -120.328 55.6081 PRESSAVG: 3649200 48.5645 -68.7949 -32.0182 -68.795 -45.5188 -65.556 -32.0182 -65.556 1.5219 GPRESSAVG: 3649200 46.1161 -70.5077 -30.9456 -68.6538 -45.8641 -64.8251 -31.8388 -70.6304 4.06152 TIMING: 3649200 CPU: 11531, 0.00312524/step Wall: 11531, 0.00312524/step, 1.17266 hours remaining, 236.023438 MB of memory in use. ENERGY: 3649200 3994.2333 20529.9293 14450.2117 251.3663 -203691.8661 2878.3250 0.0000 0.0000 52199.7045 -109388.0960 299.9924 -161587.8004 -109036.0333 299.3381 -77.1231 -51.1496 759383.7790 1.5225 1.4378 PRESSURE: 3649400 -233.899 -29.9947 63.2136 -29.9942 -366.99 -141.188 63.2131 -141.187 27.553 GPRESSURE: 3649400 -149.078 122.635 77.8682 4.82917 -313.112 -111.498 126.23 -78.5891 -27.785 PRESSAVG: 3649400 -11.7275 38.2092 -32.8545 38.2092 34.5275 -37.5293 -32.8545 -37.5293 20.0931 GPRESSAVG: 3649400 -9.05212 39.476 -33.8724 36.5598 33.9715 -37.6095 -34.3296 -37.8114 18.0381 TIMING: 3649400 CPU: 11531.6, 0.00314341/step Wall: 11531.6, 0.00314341/step, 1.1793 hours remaining, 236.023438 MB of memory in use. ENERGY: 3649400 4041.8493 20527.7502 14447.9448 252.9246 -203496.0247 2646.8951 0.0000 0.0000 52052.3552 -109526.3055 299.1456 -161578.6607 -109179.6319 300.0354 -191.1122 -163.3250 762917.4707 14.2977 14.3192 PRESSURE: 3649600 -277.16 -116.324 -150.683 -116.324 25.4519 -126.918 -150.684 -126.918 707.356 GPRESSURE: 3649600 -197.861 -103.647 -142.946 -161.256 77.6838 -182.272 -104.777 -9.25851 681.764 PRESSAVG: 3649600 -58.8873 -15.7342 -1.86324 -15.7341 0.611652 -39.4191 -1.86322 -39.419 30.9446 GPRESSAVG: 3649600 -60.1152 -16.1421 -1.92405 -12.6783 1.1512 -37.7315 -0.830866 -37.9606 31.8971 TIMING: 3649600 CPU: 11532.2, 0.00312774/step Wall: 11532.2, 0.00312774/step, 1.17325 hours remaining, 236.023438 MB of memory in use. ENERGY: 3649600 4048.5966 20610.8397 14434.1543 252.1803 -203643.9570 2753.2929 0.0000 0.0000 52105.9807 -109438.9124 299.4538 -161544.8931 -109087.9382 299.7081 151.8825 187.1957 761573.1969 -9.1103 -9.0223 PRESSURE: 3649800 193.867 -121.504 17.4429 -121.503 4.10563 -113.714 17.4432 -113.713 264.045 GPRESSURE: 3649800 132.215 -153.388 -137.653 -109.873 83.8503 -134.176 165.073 -121.249 331.531 PRESSAVG: 3649800 -32.8065 -28.1806 -22.7097 -28.1806 94.4224 -19.0921 -22.7097 -19.092 3.71496 GPRESSAVG: 3649800 -34.4847 -28.8422 -22.8083 -29.2535 94.8868 -20.3753 -22.2088 -20.3382 4.33527 TIMING: 3649800 CPU: 11532.8, 0.00313695/step Wall: 11532.8, 0.00313695/step, 1.17653 hours remaining, 236.023438 MB of memory in use. ENERGY: 3649800 3994.2519 20592.8246 14466.2972 267.5210 -203896.3510 2917.6097 0.0000 0.0000 52102.8321 -109555.0146 299.4357 -161657.8467 -109187.4542 299.5321 154.0056 182.5320 760796.7485 21.7770 21.5791 PRESSURE: 3650000 -133.721 -70.1718 24.3937 -70.1718 49.6224 6.73821 24.3933 6.73704 -106.657 GPRESSURE: 3650000 -219.057 -98.9404 -76.6865 -54.4062 123.364 -7.04684 -82.0924 4.91429 -19.1261 PRESSAVG: 3650000 -38.371 2.4552 40.0246 2.45528 -3.53475 -31.6943 40.0246 -31.6942 23.1926 GPRESSAVG: 3650000 -37.6286 2.41552 39.8344 3.57929 -4.28636 -31.2672 38.6811 -33.734 22.9582 TIMING: 3650000 CPU: 11533.5, 0.0031496/step Wall: 11533.5, 0.0031496/step, 1.1811 hours remaining, 236.023438 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: 3650000 3976.3309 20677.4380 14447.8574 246.6026 -203886.4174 2937.0358 0.0000 0.0000 51894.6490 -109706.5037 298.2393 -161601.1528 -109352.5492 299.3287 -63.5851 -38.2729 761759.5960 -6.2377 -6.3189 PRESSURE: 3650200 -51.3076 151.9 361.955 151.9 -268.745 257.298 361.956 257.299 -21.74 GPRESSURE: 3650200 -25.5348 136.779 338.656 123.164 -270.152 214.709 323.251 344.975 40.5414 PRESSAVG: 3650200 -20.3721 5.96995 -24.7038 5.96998 32.7363 -3.7274 -24.7039 -3.72736 3.31758 GPRESSAVG: 3650200 -21.8639 8.80204 -23.4081 3.18669 33.5884 -4.55173 -26.2379 -1.33451 3.47347 TIMING: 3650200 CPU: 11534.1, 0.00314967/step Wall: 11534.1, 0.00314967/step, 1.18095 hours remaining, 236.023438 MB of memory in use. ENERGY: 3650200 3992.4548 20702.5772 14482.0515 251.1573 -203548.5618 2612.6339 0.0000 0.0000 51801.3549 -109706.3323 297.7031 -161507.6872 -109350.2736 298.8128 -113.9308 -85.0484 760611.8653 5.2273 5.0660 PRESSURE: 3650400 -326.339 -294.569 109.004 -294.57 19.9947 -260.97 109.002 -260.972 -410.682 GPRESSURE: 3650400 -282.023 -167.108 44.5476 -322.19 -42.6451 -202.713 112.602 -111.405 -304.898 PRESSAVG: 3650400 12.0762 -41.774 -22.3029 -41.774 -38.9768 -67.7421 -22.303 -67.7421 -3.44905 GPRESSAVG: 3650400 12.8433 -44.7152 -22.7751 -40.6816 -39.6677 -68.5937 -21.7288 -65.8067 -2.95617 TIMING: 3650400 CPU: 11534.7, 0.00314243/step Wall: 11534.7, 0.00314243/step, 1.17806 hours remaining, 236.023438 MB of memory in use. ENERGY: 3650400 3982.8661 20431.1496 14424.9065 244.5355 -203275.2651 2516.3152 0.0000 0.0000 52169.8232 -109505.6689 299.8207 -161675.4921 -109122.2022 299.2394 -239.0086 -209.8554 762822.1622 -10.1165 -9.9269 PRESSURE: 3650600 -113.611 -61.2561 -17.5086 -61.2559 135.631 -145.72 -17.5098 -145.72 121.039 GPRESSURE: 3650600 -32.0654 -51.6168 -16.3674 -11.1741 102.531 -152.351 75.0541 -17.5066 176.293 PRESSAVG: 3650600 6.32768 -40.8655 -12.5708 -40.8656 13.1566 -44.9653 -12.5708 -44.9652 -14.2925 GPRESSAVG: 3650600 5.64775 -41.7022 -14.0524 -42.4774 13.4794 -45.6061 -9.95215 -45.5413 -13.3881 TIMING: 3650600 CPU: 11535.4, 0.00313905/step Wall: 11535.4, 0.00313905/step, 1.17662 hours remaining, 236.023438 MB of memory in use. ENERGY: 3650600 4011.0000 20440.9215 14345.6360 254.3580 -203615.6317 2697.8168 0.0000 0.0000 52062.6012 -109803.2982 299.2045 -161865.8994 -109442.8865 298.7976 47.6864 82.2529 760979.3586 1.7306 1.9130 PRESSURE: 3650800 113.99 -142.264 -22.5152 -142.265 -151.533 144.066 -22.5149 144.066 -131.112 GPRESSURE: 3650800 168.423 -129.355 -36.3718 -219.252 -112.518 213.672 63.2535 133.608 -118.084 PRESSAVG: 3650800 39.6195 -39.3831 -3.09463 -39.3831 20.3741 -19.8583 -3.09468 -19.8583 25.6931 GPRESSAVG: 3650800 39.6132 -36.609 -2.44558 -38.6153 21.4799 -18.0404 -2.78995 -20.8769 24.5443 TIMING: 3650800 CPU: 11536, 0.00314905/step Wall: 11536, 0.00314905/step, 1.18019 hours remaining, 236.023438 MB of memory in use. ENERGY: 3650800 3926.1720 20332.7316 14454.7579 246.5628 -203339.0862 2453.4274 0.0000 0.0000 52307.3158 -109618.1187 300.6109 -161925.4345 -109252.9352 299.1604 -56.2187 -20.7265 761081.9815 28.5622 28.5458 PRESSURE: 3651000 -78.7658 -83.2941 -153.437 -83.2938 -125.409 -76.9603 -153.435 -76.9597 75.6568 GPRESSURE: 3651000 -86.6452 -36.3811 -180.676 -131.858 -45.184 -128.712 -175.375 -108.948 92.577 PRESSAVG: 3651000 43.5702 -6.05496 -3.26189 -6.05498 -28.1748 -14.5581 -3.26187 -14.5581 -1.03339 GPRESSAVG: 3651000 44.7813 -7.80105 -2.07976 -6.86965 -29.5716 -15.9345 -3.9482 -15.1348 -0.591389 TIMING: 3651000 CPU: 11536.6, 0.00314003/step Wall: 11536.6, 0.00314003/step, 1.17664 hours remaining, 236.023438 MB of memory in use. ENERGY: 3651000 3980.8093 20603.8279 14413.7027 239.5557 -203558.5508 2753.6703 0.0000 0.0000 51661.7171 -109905.2679 296.9006 -161566.9849 -109551.9506 298.7230 -42.8393 -13.0841 761711.3582 4.7874 4.8728 PRESSURE: 3651200 85.0274 -56.7445 -103.259 -56.7452 -66.7747 -83.3774 -103.26 -83.3766 310.736 GPRESSURE: 3651200 137.935 -8.68072 -21.3238 -102.028 -58.6943 -62.362 -94.3292 91.3243 329.936 PRESSAVG: 3651200 69.6416 -46.0729 72.081 -46.0729 -63.632 8.66323 72.081 8.66323 16.8001 GPRESSAVG: 3651200 69.1159 -46.5958 72.3749 -44.7768 -63.9869 9.31271 71.8597 10.4373 17.6188 TIMING: 3651200 CPU: 11537.2, 0.00314549/step Wall: 11537.2, 0.00314549/step, 1.17851 hours remaining, 236.023438 MB of memory in use. ENERGY: 3651200 3866.7070 20566.2611 14451.3483 243.1115 -203914.0294 2844.2428 0.0000 0.0000 51798.8721 -110143.4865 297.6888 -161942.3586 -109772.7563 298.0905 109.6628 136.3922 760405.3955 7.6032 7.5826 PRESSURE: 3651400 237.912 27.3586 89.3106 27.3579 99.2002 -4.94016 89.3111 -4.93978 255.489 GPRESSURE: 3651400 306.95 100.363 94.4997 -9.50126 63.2857 -17.2775 -17.4615 23.2445 312.583 PRESSAVG: 3651400 6.64576 -74.0958 -16.0647 -74.0958 -39.8461 29.0986 -16.0647 29.0987 -1.19895 GPRESSAVG: 3651400 6.15295 -74.3257 -16.8174 -73.0816 -38.2867 29.4722 -15.8637 28.8742 -2.47662 TIMING: 3651400 CPU: 11537.9, 0.00315841/step Wall: 11537.9, 0.00315841/step, 1.18318 hours remaining, 236.023438 MB of memory in use. ENERGY: 3651400 3899.0103 20603.7751 14430.6750 238.8579 -203431.5527 2494.5389 0.0000 0.0000 51715.4483 -110049.2472 297.2094 -161764.6955 -109691.6927 297.7626 197.5336 227.6064 761269.9855 -11.4664 -11.5368 PRESSURE: 3651600 219.563 154.239 12.4274 154.238 -235.899 -79.8734 12.428 -79.8729 -280.947 GPRESSURE: 3651600 221.864 217.217 13.9717 316.241 -253.663 -29.5128 65.7853 -175.61 -199.527 PRESSAVG: 3651600 71.7259 -43.6445 -9.146 -43.6445 -73.2413 2.1671 -9.14596 2.16695 -7.35925 GPRESSAVG: 3651600 72.5264 -42.2404 -8.34825 -43.8797 -74.3951 3.60221 -10.639 -1.08959 -6.90167 TIMING: 3651600 CPU: 11538.5, 0.00313467/step Wall: 11538.5, 0.00313467/step, 1.17411 hours remaining, 236.023438 MB of memory in use. ENERGY: 3651600 4015.8834 20599.8887 14400.2521 272.0659 -203268.5363 2333.9133 0.0000 0.0000 51715.2110 -109931.3219 297.2080 -161646.5330 -109578.4554 298.3265 -99.0945 -77.1086 760433.3984 -2.9582 -2.9235 PRESSURE: 3651800 -504.694 28.9507 -56.8641 28.9511 -322.948 -144.892 -56.8634 -144.892 -99.7784 GPRESSURE: 3651800 -518.356 -0.988517 -51.6386 -107.042 -214.894 -59.0025 -65.2216 -76.8542 -117.508 PRESSAVG: 3651800 59.3316 25.5249 -26.338 25.5249 -66.262 35.8315 -26.3381 35.8315 -0.229164 GPRESSAVG: 3651800 57.511 26.8196 -27.2808 24.4764 -65.7175 34.1317 -25.3286 38.8467 -0.0757978 TIMING: 3651800 CPU: 11539.1, 0.0031559/step Wall: 11539.1, 0.0031559/step, 1.18188 hours remaining, 236.023438 MB of memory in use. ENERGY: 3651800 3978.6404 20796.4839 14441.6357 229.9062 -203651.5626 2473.3203 0.0000 0.0000 52038.6130 -109692.9631 299.0666 -161731.5761 -109332.5322 298.7593 -309.1403 -283.5860 762227.2725 -2.3865 -2.7608 PRESSURE: 3652000 -181.768 -232.374 -1.49208 -232.374 133.78 -52.3433 -1.49142 -52.3422 -274.735 GPRESSURE: 3652000 -113.81 -262.761 -100.431 -172.082 109.47 8.93714 91.8812 -93.9418 -213.113 PRESSAVG: 3652000 5.73088 2.18675 31.0731 2.18677 -12.2732 16.4842 31.073 16.4842 12.2904 GPRESSAVG: 3652000 6.84204 -0.264105 30.6581 3.27058 -11.6381 16.1962 31.2418 16.1933 11.1659 TIMING: 3652000 CPU: 11539.8, 0.00314668/step Wall: 11539.8, 0.00314668/step, 1.17826 hours remaining, 236.023438 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: 3652000 4023.2842 20494.1514 14405.3749 249.2502 -203607.9779 2740.3729 0.0000 0.0000 51944.5732 -109750.9712 298.5262 -161695.5443 -109405.8719 298.8959 -107.5743 -72.4846 761451.8435 1.9160 2.1233 PRESSURE: 3652200 457.944 -144.956 93.2317 -144.955 -733.755 -105.161 93.2317 -105.161 -130.35 GPRESSURE: 3652200 403.772 -78.9456 90.9318 -177.027 -698.037 -140.828 112.703 37.45 -60.3225 PRESSAVG: 3652200 14.5013 -8.42566 25.6849 -8.42564 -0.653809 -36.8024 25.6849 -36.8024 -7.66956 GPRESSAVG: 3652200 15.0009 -8.73437 26.0785 -8.02414 -2.07546 -36.7671 26.8825 -37.6198 -6.47082 TIMING: 3652200 CPU: 11540.4, 0.0031299/step Wall: 11540.4, 0.0031299/step, 1.1718 hours remaining, 236.023438 MB of memory in use. ENERGY: 3652200 4050.9330 20540.2320 14377.1130 260.5929 -203095.7389 2347.7246 0.0000 0.0000 52140.0753 -109379.0681 299.6497 -161519.1434 -109017.7956 299.3275 -135.3870 -118.1958 762886.4978 2.0593 2.1515 LDB: ============= START OF LOAD BALANCING ============== 11552.9 LDB: ============== END OF LOAD BALANCING =============== 11552.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11552.9 LDB: ============= START OF LOAD BALANCING ============== 11553.2 LDB: Largest compute 7075 load 0.034718 is 17.8% of average load 0.195475 LDB: Average compute 0.004392 is 2.2% of average load 0.195475 LDB: TIME 11553.2 LOAD: AVG 0.195475 MAX 0.215371 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.852 MB LDB: TIME 11553.2 LOAD: AVG 0.195475 MAX 0.215371 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: TIME 11553.2 LOAD: AVG 0.195475 MAX 0.215371 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: ============== END OF LOAD BALANCING =============== 11553.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11553.2 PRESSURE: 3652400 241.898 29.9349 -23.9669 29.936 -139.818 228.561 -23.9667 228.562 144.032 GPRESSURE: 3652400 207.67 -24.0713 -143.68 -15.1254 -75.1766 268.153 8.55846 89.9171 204.081 PRESSAVG: 3652400 85.7583 13.6153 -2.05566 13.6153 -76.9608 42.4041 -2.05569 42.404 -12.1551 GPRESSAVG: 3652400 84.5423 15.0289 -0.938987 14.2213 -76.0633 41.5312 -4.63606 42.5169 -12.0013 TIMING: 3652400 CPU: 11541, 0.00320702/step Wall: 11541, 0.00320702/step, 1.2005 hours remaining, 235.710938 MB of memory in use. ENERGY: 3652400 4016.1531 20560.4195 14438.4479 248.6200 -203344.0089 2500.1963 0.0000 0.0000 52074.2390 -109505.9330 299.2714 -161580.1720 -109145.7563 299.0050 82.0376 112.1917 761464.4361 -1.1192 -1.1741 PRESSURE: 3652600 -396.368 -158.583 -119.097 -158.582 0.677385 -117.487 -119.097 -117.488 153.571 GPRESSURE: 3652600 -252.807 -182.455 -105.646 -194.622 -97.0261 -140.637 -76.939 -64.2284 166.719 PRESSAVG: 3652600 54.6208 -21.3807 -37.0632 -21.3807 -43.3146 -5.39767 -37.0632 -5.39766 -23.2326 GPRESSAVG: 3652600 54.7189 -22.9571 -37.7837 -22.6742 -42.1741 -4.845 -37.5735 -7.54147 -24.7728 TIMING: 3652600 CPU: 11541.7, 0.0031413/step Wall: 11541.7, 0.0031413/step, 1.17572 hours remaining, 235.710938 MB of memory in use. ENERGY: 3652600 4064.1781 20419.5079 14426.1913 253.8848 -202853.4871 2084.0112 0.0000 0.0000 52074.5563 -109531.1575 299.2732 -161605.7139 -109165.9278 299.3038 -80.7067 -61.0382 761127.3237 -3.9755 -4.0760 PRESSURE: 3652800 248.681 7.04021 217.778 7.0399 43.0705 -56.5755 217.777 -56.5756 270.942 GPRESSURE: 3652800 380.045 65.9287 242.509 -131.5 68.0667 -197.975 105.968 54.6153 195.394 PRESSAVG: 3652800 38.0705 -77.8594 -37.1746 -77.8594 13.0022 -18.7842 -37.1746 -18.7843 -6.28735 GPRESSAVG: 3652800 39.3324 -75.6145 -36.2306 -80.4586 10.7646 -17.9269 -36.1406 -16.5199 -5.53435 TIMING: 3652800 CPU: 11542.3, 0.00314893/step Wall: 11542.3, 0.00314893/step, 1.1784 hours remaining, 235.710938 MB of memory in use. ENERGY: 3652800 3975.2358 20531.8851 14386.9982 258.9074 -203152.5419 2436.3916 0.0000 0.0000 52225.2759 -109337.8478 300.1394 -161563.1238 -108964.2670 299.3833 187.5645 214.5019 759785.8838 14.9284 14.8542 PRESSURE: 3653000 145.721 -75.1482 212.53 -75.1476 333.132 7.56365 212.529 7.56414 -260.102 GPRESSURE: 3653000 154.199 -53.3122 226.413 -86.7341 395.272 47.4596 184.475 163.222 -245.942 PRESSAVG: 3653000 22.53 -82.8995 11.0353 -82.8995 -48.6242 -31.612 11.0353 -31.612 1.79896 GPRESSAVG: 3653000 21.7678 -84.0404 10.5028 -81.6838 -47.8124 -30.7494 10.226 -33.6927 2.46672 TIMING: 3653000 CPU: 11542.9, 0.00315164/step Wall: 11542.9, 0.00315164/step, 1.17924 hours remaining, 235.925781 MB of memory in use. ENERGY: 3653000 4048.9443 20582.9114 14353.5085 261.4394 -203408.1959 2564.5496 0.0000 0.0000 52246.4705 -109350.3723 300.2612 -161596.8427 -109001.3910 300.2442 72.9170 101.1764 760215.3425 -8.0984 -7.8593 PRESSURE: 3653200 -24.9834 -429.02 41.2547 -429.02 -126.638 -149.843 41.2547 -149.843 397.507 GPRESSURE: 3653200 -22.9988 -353.17 18.1733 -274.487 -16.7819 -163.76 134.925 -57.4737 377.189 PRESSAVG: 3653200 -22.6164 -41.5565 27.7655 -41.5565 23.4991 42.6562 27.7656 42.6562 11.0234 GPRESSAVG: 3653200 -21.4743 -41.5559 27.6215 -39.757 23.3937 41.2678 28.0281 46.0537 10.2998 TIMING: 3653200 CPU: 11543.5, 0.00314157/step Wall: 11543.5, 0.00314157/step, 1.1753 hours remaining, 235.925781 MB of memory in use. ENERGY: 3653200 3970.4600 20575.1382 14336.3246 255.5721 -203467.4681 2734.0521 0.0000 0.0000 52343.3215 -109252.5997 300.8178 -161595.9211 -108891.2214 299.6053 81.9617 112.4694 760790.7409 3.9687 4.0730 PRESSURE: 3653400 81.9718 46.7611 -22.3371 46.7619 -356.78 27.6287 -22.3367 27.6288 395.58 GPRESSURE: 3653400 65.3103 46.9512 -76.414 -7.22566 -263.175 22.8236 -59.4236 -9.98344 405.476 PRESSAVG: 3653400 -51.6719 24.8766 -30.8439 24.8765 40.5228 20.3163 -30.844 20.3164 0.566296 GPRESSAVG: 3653400 -53.2859 27.4386 -31.4431 23.8869 41.2418 21.634 -30.1122 18.8594 1.10996 TIMING: 3653400 CPU: 11544.2, 0.00314797/step Wall: 11544.2, 0.00314797/step, 1.17752 hours remaining, 235.914062 MB of memory in use. ENERGY: 3653400 4031.7866 20666.6032 14454.2157 268.5468 -202972.5929 2329.4238 0.0000 0.0000 52049.2636 -109172.7531 299.1278 -161222.0167 -108802.1836 299.9517 40.2575 69.2039 759998.1956 -3.5276 -3.6447 PRESSURE: 3653600 -448.524 328.585 0.274321 328.585 -179.505 -146.769 0.274354 -146.769 -358.607 GPRESSURE: 3653600 -435.979 295.546 -42.9804 239.057 -100.388 -96.2096 92.6666 -228.716 -351.723 PRESSAVG: 3653600 -11.7356 3.5216 1.10126 3.52158 10.5784 -61.7491 1.1013 -61.7492 -6.62298 GPRESSAVG: 3653600 -9.74958 2.48876 1.24538 2.85131 9.35192 -63.0755 1.74192 -63.5619 -7.51949 TIMING: 3653600 CPU: 11544.8, 0.00313652/step Wall: 11544.8, 0.00313652/step, 1.17306 hours remaining, 235.914062 MB of memory in use. ENERGY: 3653600 3966.3884 20484.3781 14443.1377 261.5222 -202878.5374 2322.4962 0.0000 0.0000 52146.9385 -109253.6763 299.6892 -161400.6149 -108873.1369 300.1446 -328.8783 -296.0300 760444.7812 -2.5934 -2.6390 PRESSURE: 3653800 -83.8284 -357.849 -119.908 -357.849 -181.214 -43.2801 -119.907 -43.2794 18.5396 GPRESSURE: 3653800 -34.002 -241.471 -26.5008 -338.599 -213.626 -142.407 -54.4089 82.4209 70.6391 PRESSAVG: 3653800 6.84898 -32.511 -26.3582 -32.5111 -44.1492 14.1704 -26.3582 14.1704 -4.52733 GPRESSAVG: 3653800 7.0137 -33.5769 -25.0461 -31.9265 -45.3522 14.2926 -25.9951 14.0781 -3.75725 TIMING: 3653800 CPU: 11545.4, 0.00315129/step Wall: 11545.4, 0.00315129/step, 1.17841 hours remaining, 235.914062 MB of memory in use. ENERGY: 3653800 4099.7867 20524.4783 14391.3700 246.9050 -202671.7350 2117.6355 0.0000 0.0000 51837.5247 -109454.0348 297.9110 -161291.5595 -109100.4472 299.4884 -82.1675 -58.9962 761828.2685 -13.9425 -14.0319 PRESSURE: 3654000 139.399 185.137 177.404 185.137 -209.985 237.941 177.404 237.94 145.182 GPRESSURE: 3654000 87.3545 48.8763 238.491 165.174 -184.92 196.615 205.736 171.994 238.31 PRESSAVG: 3654000 25.3963 -12.2978 8.13138 -12.2979 -3.02501 -10.0732 8.13143 -10.0733 0.979979 GPRESSAVG: 3654000 23.5364 -10.6158 6.46743 -14.3051 -0.860868 -8.13938 8.5857 -8.49739 0.330676 TIMING: 3654000 CPU: 11546.1, 0.00314576/step Wall: 11546.1, 0.00314576/step, 1.17616 hours remaining, 235.925781 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: 3654000 3975.8548 20643.7998 14364.9228 243.0390 -202807.5965 2360.1627 0.0000 0.0000 51843.8608 -109375.9566 297.9474 -161219.8174 -109013.8672 299.1194 24.8655 46.9148 761214.2201 7.7838 7.6687 PRESSURE: 3654200 -75.6179 131.586 46.9198 131.585 -510.252 -2.63907 46.9205 -2.63908 -216.184 GPRESSURE: 3654200 -86.2751 184.676 33.264 22.5061 -413.786 -1.64439 146.755 -18.303 -194.51 PRESSAVG: 3654200 -22.2324 3.99244 15.8138 3.99248 -0.528331 -8.8055 15.8137 -8.8055 17.5136 GPRESSAVG: 3654200 -22.1406 0.963417 16.5783 7.67548 -0.693234 -9.88764 15.6725 -8.21565 17.9188 TIMING: 3654200 CPU: 11546.7, 0.00314419/step Wall: 11546.7, 0.00314419/step, 1.1754 hours remaining, 235.925781 MB of memory in use. ENERGY: 3654200 4035.0996 20517.6924 14423.2538 227.8910 -203168.3037 2580.5503 0.0000 0.0000 52266.7029 -109117.1136 300.3775 -161383.8165 -108762.9454 299.5893 -267.3514 -231.5238 762157.6291 -1.7490 -1.6383 PRESSURE: 3654400 329.443 38.2971 -240.824 38.2976 134.28 -108.424 -240.825 -108.423 229.03 GPRESSURE: 3654400 304.071 -1.7613 -224.023 171.883 212.388 -18.0486 -173.403 -167.756 274.82 PRESSAVG: 3654400 -56.4465 -11.2102 57.9877 -11.2102 61.6757 -30.3201 57.9877 -30.3201 -3.49315 GPRESSAVG: 3654400 -55.9434 -9.14547 57.4254 -12.2814 60.798 -30.9523 55.6256 -30.9013 -3.31488 TIMING: 3654400 CPU: 11547.3, 0.00315797/step Wall: 11547.3, 0.00315797/step, 1.18038 hours remaining, 235.925781 MB of memory in use. ENERGY: 3654400 3895.9545 20432.5138 14437.7402 255.0504 -203317.4832 2848.2987 0.0000 0.0000 52271.8321 -109176.0934 300.4069 -161447.9255 -108810.2141 299.7922 230.9176 263.7597 761039.1486 0.5787 0.5132 PRESSURE: 3654600 -83.8172 102.045 84.6444 102.045 -294.37 8.65354 84.6439 8.65405 -19.4122 GPRESSURE: 3654600 -55.4161 79.3484 23.513 0.0332627 -252.434 5.9796 -5.31795 2.34733 2.29176 PRESSAVG: 3654600 44.1493 -10.8597 25.1958 -10.8597 27.3287 7.09864 25.1958 7.09851 13.5765 GPRESSAVG: 3654600 44.7633 -10.6957 24.9739 -11.1172 27.7321 7.44564 25.7802 6.12723 12.7728 TIMING: 3654600 CPU: 11548, 0.00318429/step Wall: 11548, 0.00318429/step, 1.19004 hours remaining, 235.925781 MB of memory in use. ENERGY: 3654600 3982.9608 20660.9440 14478.2718 247.8317 -202954.8993 2242.9619 0.0000 0.0000 52097.5734 -109244.3556 299.4055 -161341.9291 -108891.0691 299.9192 -132.5330 -101.8526 760263.9911 28.3515 28.4227 PRESSURE: 3654800 58.357 13.4988 7.63493 13.4987 84.822 155.753 7.6356 155.753 6.81433 GPRESSURE: 3654800 42.2489 -5.50299 -61.892 54.852 154.97 107.847 -0.975075 60.3188 29.2446 PRESSAVG: 3654800 -23.4079 -11.3651 -22.6288 -11.3651 5.62826 18.934 -22.6288 18.934 4.89924 GPRESSAVG: 3654800 -22.5326 -11.5403 -22.6939 -11.3965 5.30773 17.5863 -22.8431 19.4656 4.22303 TIMING: 3654800 CPU: 11548.6, 0.00318059/step Wall: 11548.6, 0.00318059/step, 1.18848 hours remaining, 235.925781 MB of memory in use. ENERGY: 3654800 4045.8678 20349.4897 14433.1245 253.4223 -203210.8553 2601.8788 0.0000 0.0000 52139.3062 -109387.7660 299.6453 -161527.0722 -109031.5680 299.9381 49.9978 75.4880 761342.1148 -4.2935 -4.3340 PRESSURE: 3655000 -153.381 43.9335 -25.0473 43.9337 322.416 52.2723 -25.0468 52.2725 32.2825 GPRESSURE: 3655000 -144.412 79.5648 48.3376 31.4996 241.062 8.61829 107.012 72.2881 172.938 PRESSAVG: 3655000 -12.899 -24.7052 -20.3198 -24.7051 -1.19347 -25.381 -20.3198 -25.381 18.5335 GPRESSAVG: 3655000 -13.3028 -25.8517 -20.5539 -24.7248 -1.96145 -24.6786 -19.4753 -25.6531 19.5614 TIMING: 3655000 CPU: 11549.2, 0.00315402/step Wall: 11549.2, 0.00315402/step, 1.17838 hours remaining, 235.925781 MB of memory in use. ENERGY: 3655000 4060.0134 20435.8309 14383.2908 240.5098 -203820.4762 2993.5771 0.0000 0.0000 52418.7222 -109288.5320 301.2511 -161707.2542 -108925.7934 299.6014 67.1060 89.8629 761409.0245 1.4803 1.4324 PRESSURE: 3655200 -433.332 76.4934 169.439 76.4934 -23.9435 -108.352 169.439 -108.35 -279.379 GPRESSURE: 3655200 -339.005 150.714 256.448 51.8647 15.1368 -139.322 86.146 0.234633 -309.546 PRESSAVG: 3655200 -33.0013 -31.7526 87.8238 -31.7526 29.8269 36.5265 87.8238 36.5266 4.59092 GPRESSAVG: 3655200 -33.0847 -30.8579 87.0591 -32.4214 28.9608 40.0533 87.4962 34.9286 5.45497 TIMING: 3655200 CPU: 11549.8, 0.00313387/step Wall: 11549.8, 0.00313387/step, 1.17067 hours remaining, 235.925781 MB of memory in use. ENERGY: 3655200 3942.8830 20431.8920 14352.2504 250.5061 -202757.4114 2399.0602 0.0000 0.0000 51911.4198 -109469.3999 298.3356 -161380.8197 -109108.5699 299.4740 -245.5514 -211.1383 761247.7230 0.4722 0.4437 PRESSURE: 3655400 -147.749 -419.478 245.032 -419.479 -5.31522 132.555 245.031 132.554 221.212 GPRESSURE: 3655400 -144.975 -431.78 202.572 -327.154 16.0285 173.505 140.468 170.083 285.356 PRESSAVG: 3655400 -43.4459 -41.0504 37.832 -41.0504 0.281955 2.90615 37.8321 2.9061 1.53779 GPRESSAVG: 3655400 -42.9325 -39.3257 38.3143 -41.6389 1.25535 0.995832 37.9556 4.83914 0.1924 TIMING: 3655400 CPU: 11550.5, 0.00313549/step Wall: 11550.5, 0.00313549/step, 1.17111 hours remaining, 235.925781 MB of memory in use. ENERGY: 3655400 4054.7846 20571.0964 14446.2736 263.2450 -203099.7686 2690.5386 0.0000 0.0000 51855.8549 -109217.9755 298.0163 -161073.8304 -108859.4603 299.4626 22.7160 52.1365 760887.0071 -13.8754 -13.8282 PRESSURE: 3655600 77.0812 -110.339 -1.69843 -110.338 118.537 -35.4396 -1.69853 -35.4393 -235.354 GPRESSURE: 3655600 93.1245 -129.402 43.9289 -57.0358 249.868 -125.765 -53.4586 -6.63486 -255.577 PRESSAVG: 3655600 -46.3376 -55.8174 6.15864 -55.8175 103.702 -7.80304 6.15862 -7.80303 11.4993 GPRESSAVG: 3655600 -45.7958 -58.7914 6.91373 -53.3398 102.414 -8.29686 6.76652 -5.61764 12.3328 TIMING: 3655600 CPU: 11551.1, 0.00315176/step Wall: 11551.1, 0.00315176/step, 1.17701 hours remaining, 235.925781 MB of memory in use. ENERGY: 3655600 4093.5095 20394.1968 14453.9536 247.8862 -203206.4872 2642.4988 0.0000 0.0000 52088.6594 -109285.7829 299.3542 -161374.4423 -108913.0101 299.3461 -13.2454 29.1387 762170.3881 22.9544 22.9835 PRESSURE: 3655800 66.9641 -133.701 76.2037 -133.7 74.7627 152.557 76.2045 152.558 -267.615 GPRESSURE: 3655800 109.917 -153.472 199.171 -89.2459 124.043 94.3781 119.817 121.822 -259.177 PRESSAVG: 3655800 -13.4946 -78.019 48.4536 -78.0189 -8.48824 -26.0056 48.4535 -26.0056 -10.5078 GPRESSAVG: 3655800 -12.9542 -75.7416 48.7787 -77.4637 -8.09967 -26.8059 47.8329 -27.5246 -11.4394 TIMING: 3655800 CPU: 11551.7, 0.00315566/step Wall: 11551.7, 0.00315566/step, 1.17829 hours remaining, 235.925781 MB of memory in use. ENERGY: 3655800 4090.5562 20633.7946 14475.4457 233.3780 -203477.4649 2926.7725 0.0000 0.0000 52117.0476 -109000.4702 299.5174 -161117.5179 -108641.7682 299.9755 -41.9628 -8.4056 763258.3324 -10.8302 -10.8311 PRESSURE: 3656000 -8.50187 -27.5082 143.117 -27.5077 75.5803 176.645 143.117 176.646 408.007 GPRESSURE: 3656000 40.1494 -82.2106 88.4967 -74.0437 159.045 134.999 165.353 120.849 363.376 PRESSAVG: 3656000 13.3494 -11.024 56.406 -11.024 6.86135 -19.1255 56.4059 -19.1255 29.2271 GPRESSAVG: 3656000 13.8966 -11.6034 56.4808 -13.5123 6.55373 -17.957 56.9706 -19.0853 28.936 TIMING: 3656000 CPU: 11552.4, 0.00314392/step Wall: 11552.4, 0.00314392/step, 1.17373 hours remaining, 235.925781 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: 3656000 4036.4357 20412.3941 14527.1943 257.8227 -203415.5315 2886.3816 0.0000 0.0000 52131.9644 -109163.3388 299.6031 -161295.3032 -108803.3536 299.7342 158.3620 187.5237 762458.0935 16.4793 16.4621 PRESSURE: 3656200 -60.2392 66.9252 -17.4909 66.925 92.6884 47.4972 -17.491 47.4954 228.558 GPRESSURE: 3656200 25.1401 -2.19836 82.0381 31.2446 119.058 130.449 -109.398 -61.7846 189.869 PRESSAVG: 3656200 10.7803 -9.82903 -20.8391 -9.82906 36.8734 33.7776 -20.839 33.7775 -20.599 GPRESSAVG: 3656200 9.21459 -11.3566 -20.208 -8.55179 37.5852 35.3119 -22.8326 30.0493 -20.101 TIMING: 3656200 CPU: 11553, 0.00314577/step Wall: 11553, 0.00314577/step, 1.17424 hours remaining, 235.925781 MB of memory in use. ENERGY: 3656200 4009.1838 20436.2401 14399.5791 252.6667 -203082.2890 2481.8629 0.0000 0.0000 52318.8849 -109183.8715 300.6774 -161502.7564 -108817.4712 299.7321 87.0023 111.3556 761673.0201 9.0182 8.8996 LDB: ============= START OF LOAD BALANCING ============== 11565.5 LDB: ============== END OF LOAD BALANCING =============== 11565.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11565.5 LDB: ============= START OF LOAD BALANCING ============== 11565.8 LDB: Largest compute 7030 load 0.031891 is 16.3% of average load 0.195558 LDB: Average compute 0.004394 is 2.2% of average load 0.195558 LDB: TIME 11565.8 LOAD: AVG 0.195558 MAX 0.215928 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.926 MB LDB: TIME 11565.8 LOAD: AVG 0.195558 MAX 0.215928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: TIME 11565.8 LOAD: AVG 0.195558 MAX 0.215928 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: ============== END OF LOAD BALANCING =============== 11565.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11565.9 PRESSURE: 3656400 189.625 -123.504 57.6886 -123.504 -4.66001 33.8376 57.6887 33.8354 131.677 GPRESSURE: 3656400 124.796 -90.5109 6.25394 -63.8105 -3.84492 53.793 85.5149 247.215 271.122 PRESSAVG: 3656400 -0.582927 -48.5654 14.2159 -48.5655 -12.4663 0.587528 14.2159 0.587439 -11.4635 GPRESSAVG: 3656400 -0.835391 -47.1359 13.6387 -48.5777 -13.2975 -1.07937 14.193 4.22481 -10.4735 TIMING: 3656400 CPU: 11553.6, 0.00321767/step Wall: 11553.6, 0.00321767/step, 1.2009 hours remaining, 237.191406 MB of memory in use. ENERGY: 3656400 3940.4084 20540.5218 14388.8203 234.8389 -202879.0051 2475.2581 0.0000 0.0000 52048.7748 -109250.3828 299.1250 -161299.1576 -108900.0187 299.2316 105.5473 130.6913 760526.3080 -8.1709 -8.2021 PRESSURE: 3656600 -40.4665 27.0887 -89.1547 27.0896 188.94 44.8584 -89.1544 44.8598 -444.327 GPRESSURE: 3656600 25.3116 81.4377 -88.6161 -96.5278 163.4 61.1445 -128.182 47.5505 -382.539 PRESSAVG: 3656600 -49.4378 -43.4331 -17.4506 -43.4331 56.7663 2.08421 -17.4507 2.08422 -11.6041 GPRESSAVG: 3656600 -48.8431 -41.2524 -17.8207 -45.8924 57.5183 0.209006 -17.3798 2.08301 -13.1097 TIMING: 3656600 CPU: 11554.3, 0.00316261/step Wall: 11554.3, 0.00316261/step, 1.18018 hours remaining, 237.261719 MB of memory in use. ENERGY: 3656600 3980.3091 20413.9412 14348.6603 265.5917 -203116.3639 2708.8031 0.0000 0.0000 52174.2997 -109224.7588 299.8464 -161399.0585 -108868.4614 299.3789 -98.6180 -64.6090 762684.2587 -1.4252 -1.4782 PRESSURE: 3656800 -276.394 196.626 -337.399 196.626 -30.1651 225.725 -337.399 225.725 240.308 GPRESSURE: 3656800 -215.799 167.329 -271.22 187.712 16.9519 260.133 -288.415 91.8412 215.646 PRESSAVG: 3656800 -17.7978 -66.174 -56.3604 -66.174 39.2662 -44.992 -56.3604 -44.992 9.08232 GPRESSAVG: 3656800 -18.1722 -67.8881 -55.8477 -62.901 38.9216 -43.7854 -55.1474 -45.7039 9.72077 TIMING: 3656800 CPU: 11554.9, 0.00315423/step Wall: 11554.9, 0.00315422/step, 1.17688 hours remaining, 237.519531 MB of memory in use. ENERGY: 3656800 3991.9871 20400.8803 14426.7326 244.9711 -203097.9307 2743.6553 0.0000 0.0000 52185.6729 -109104.0315 299.9118 -161289.7043 -108727.8651 299.3586 -22.0835 5.5995 762179.9982 10.1836 10.1567 PRESSURE: 3657000 113.351 -2.0404 76.42 -2.04118 -69.165 -269.207 76.4183 -269.208 -367.019 GPRESSURE: 3657000 21.317 115.697 -18.5136 -30.4593 -15.3614 -181.519 14.7479 -272.727 -246.136 PRESSAVG: 3657000 34.8555 -50.6213 -33.3484 -50.6214 -57.4636 9.24076 -33.3483 9.24072 -18.41 GPRESSAVG: 3657000 35.3685 -49.5224 -33.9238 -52.367 -57.253 9.85584 -33.9576 8.81279 -18.8273 TIMING: 3657000 CPU: 11555.5, 0.00315514/step Wall: 11555.5, 0.00315514/step, 1.17704 hours remaining, 237.519531 MB of memory in use. ENERGY: 3657000 3990.4198 20509.3819 14412.5685 246.3181 -203036.5373 2764.7270 0.0000 0.0000 52231.7793 -108881.3428 300.1768 -161113.1221 -108526.2094 299.5131 -107.6109 -80.0601 763055.5652 -13.6727 -13.5706 PRESSURE: 3657200 -43.6824 199.12 -89.9438 199.121 -415.871 17.6192 -89.9448 17.6191 -81.4587 GPRESSURE: 3657200 -18.03 179.205 -84.6706 155.637 -359.398 2.07738 46.8112 43.7105 -95.3323 PRESSAVG: 3657200 39.8788 -35.0021 0.470009 -35.0021 10.3343 -42.082 0.469953 -42.082 15.3403 GPRESSAVG: 3657200 40.783 -38.7636 0.0349601 -34.1851 10.1587 -42.0885 0.364152 -40.8574 14.5617 TIMING: 3657200 CPU: 11556.2, 0.00314054/step Wall: 11556.2, 0.00314054/step, 1.17142 hours remaining, 237.519531 MB of memory in use. ENERGY: 3657200 3979.2114 20625.5883 14356.7559 248.6426 -202224.0720 2049.1824 0.0000 0.0000 51964.3960 -109000.2954 298.6401 -160964.6915 -108637.7123 300.1097 -180.3374 -157.5868 762654.7801 21.8511 21.8344 PRESSURE: 3657400 -187.184 7.91451 96.8735 7.91328 -53.0644 -189.79 96.8727 -189.789 -113.913 GPRESSURE: 3657400 -198.245 -32.4582 129.411 63.6553 -53.1949 -166.747 9.13103 -46.4746 -15.6164 PRESSAVG: 3657400 17.7692 -10.2388 -19.0527 -10.2388 -27.4201 28.4256 -19.0527 28.4255 -28.3579 GPRESSAVG: 3657400 16.0856 -9.92204 -19.7247 -10.839 -27.2145 29.484 -19.8868 28.1803 -26.2707 TIMING: 3657400 CPU: 11556.8, 0.00314577/step Wall: 11556.8, 0.00314577/step, 1.1732 hours remaining, 237.519531 MB of memory in use. ENERGY: 3657400 4065.6424 20523.1500 14407.7969 239.9422 -202941.2991 2559.7529 0.0000 0.0000 52322.2108 -108822.8039 300.6965 -161145.0147 -108457.3175 300.3501 -118.0538 -89.0188 762417.4058 -12.6696 -12.4665 PRESSURE: 3657600 163.946 95.9666 -224.892 95.9669 68.2263 -4.80518 -224.891 -4.80623 126.147 GPRESSURE: 3657600 149.036 104.309 -315.529 -30.7051 196.251 -17.174 -133.239 67.3547 100.423 PRESSAVG: 3657600 31.9792 -83.5716 4.94721 -83.5716 4.59139 68.1191 4.94734 68.1191 -21.6523 GPRESSAVG: 3657600 31.8988 -83.6017 7.46937 -83.3582 4.65519 66.3712 4.48402 68.5004 -22.1331 TIMING: 3657600 CPU: 11557.4, 0.00314301/step Wall: 11557.4, 0.00314301/step, 1.17199 hours remaining, 237.519531 MB of memory in use. ENERGY: 3657600 4019.4605 20549.4968 14365.5250 262.8887 -202936.7390 2689.4781 0.0000 0.0000 52212.3554 -108837.5347 300.0651 -161049.8900 -108486.1064 300.4838 119.4399 148.5698 760943.2487 4.9728 4.8070 PRESSURE: 3657800 -139.291 49.7506 -66.856 49.7503 127.47 87.6491 -66.8549 87.6497 149.902 GPRESSURE: 3657800 -32.3445 64.3941 -13.4321 116.115 63.3565 -6.24554 -127.425 179.921 208.171 PRESSAVG: 3657800 18.4222 -36.9116 -18.3236 -36.9116 -14.7318 14.2909 -18.3237 14.2908 -13.1565 GPRESSAVG: 3657800 18.8775 -36.6498 -20.4253 -36.21 -14.3756 15.2699 -16.2037 14.2667 -13.7193 TIMING: 3657800 CPU: 11558, 0.00313446/step Wall: 11558, 0.00313446/step, 1.16863 hours remaining, 237.519531 MB of memory in use. ENERGY: 3657800 3929.7192 20490.4303 14440.9871 263.3280 -202801.9966 2702.4066 0.0000 0.0000 52067.4484 -108907.6770 299.2323 -160975.1254 -108534.6296 300.0368 46.0268 79.7275 761351.9911 -3.1554 -3.0725 PRESSURE: 3658000 156.507 -50.1526 -335.596 -50.1525 40.2989 202.404 -335.596 202.405 -14.1235 GPRESSURE: 3658000 226.124 -63.9346 -247.789 -69.648 92.2763 262.981 -220.986 73.1964 -43.9131 PRESSAVG: 3658000 13.0069 -60.8383 35.1994 -60.8383 1.2375 0.0246179 35.1995 0.0246866 -21.7866 GPRESSAVG: 3658000 12.9706 -61.2968 34.9124 -61.3367 1.81902 1.2576 35.0032 -3.34895 -22.2277 TIMING: 3658000 CPU: 11558.7, 0.00312497/step Wall: 11558.7, 0.00312497/step, 1.16492 hours remaining, 237.519531 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: 3658000 4020.2359 20597.9613 14488.3222 236.4465 -203574.6980 3009.6625 0.0000 0.0000 52106.2128 -109115.8569 299.4551 -161222.0697 -108754.2790 299.7705 60.8941 91.4957 760973.7265 -2.5141 -2.4794 PRESSURE: 3658200 -281.487 -230.186 -14.0096 -230.185 -171.819 31.3837 -14.0089 31.3844 -62.5449 GPRESSURE: 3658200 -151.936 -78.5795 21.6358 -223.992 -151.468 -10.4765 -91.1215 101.363 -122.259 PRESSAVG: 3658200 -58.1637 -61.1531 37.181 -61.153 40.0384 57.9298 37.181 57.9298 14.0051 GPRESSAVG: 3658200 -57.0098 -59.3932 37.1998 -61.7076 39.5326 56.3401 36.3044 60.167 13.317 TIMING: 3658200 CPU: 11559.3, 0.00315122/step Wall: 11559.3, 0.00315122/step, 1.17453 hours remaining, 237.519531 MB of memory in use. ENERGY: 3658200 3986.0115 20599.9218 14378.6222 269.6520 -203234.2494 2572.7964 0.0000 0.0000 52159.7567 -109267.4889 299.7628 -161427.2456 -108905.1009 299.6237 -171.9506 -141.8875 762395.8966 -1.3734 -1.3867 PRESSURE: 3658400 -73.8892 -18.1296 35.0164 -18.1292 55.7981 119.877 35.0158 119.878 -82.1032 GPRESSURE: 3658400 37.9735 15.2609 24.1312 111.229 61.0545 91.6395 60.7045 134.02 -106.541 PRESSAVG: 3658400 -5.11417 -44.7494 7.88825 -44.7494 18.5384 47.4157 7.88823 47.4157 -17.3408 GPRESSAVG: 3658400 -5.25292 -44.1355 7.50291 -46.0905 17.8487 47.2664 9.81532 49.5471 -16.9472 TIMING: 3658400 CPU: 11559.9, 0.00316485/step Wall: 11559.9, 0.00316485/step, 1.17943 hours remaining, 237.519531 MB of memory in use. ENERGY: 3658400 4087.0148 20520.6122 14439.9616 230.6903 -203374.4897 2524.4833 0.0000 0.0000 52240.3606 -109331.3669 300.2261 -161571.7275 -108975.9186 299.4670 -33.3981 -2.5044 759188.7801 -1.3055 -1.4505 PRESSURE: 3658600 45.1858 222.348 -46.4543 222.348 204.549 106.488 -46.4543 106.489 -83.8545 GPRESSURE: 3658600 -17.9021 214.858 -69.4639 274.507 294.856 50.1549 92.4828 105.435 -35.565 PRESSAVG: 3658600 -48.8269 -12.154 -43.8573 -12.154 56.7908 20.4031 -43.8573 20.4031 13.9957 GPRESSAVG: 3658600 -48.8321 -13.5715 -43.0087 -11.0987 55.7586 19.8452 -42.8879 18.3322 14.6192 TIMING: 3658600 CPU: 11560.6, 0.00314478/step Wall: 11560.6, 0.00314478/step, 1.17178 hours remaining, 237.519531 MB of memory in use. ENERGY: 3658600 3956.8465 20542.9791 14409.7967 235.4183 -202732.1267 2373.8805 0.0000 0.0000 52065.6023 -109147.6032 299.2217 -161213.2056 -108781.0314 299.5152 55.2935 80.4629 762331.3051 7.3199 7.1819 PRESSURE: 3658800 18.8033 -213.073 -15.6956 -213.072 -244.781 65.6642 -15.695 65.6653 -68.0271 GPRESSURE: 3658800 87.7001 -196.473 57.284 -253.314 -203.792 89.8399 26.6274 -2.72117 -93.0333 PRESSAVG: 3658800 18.8335 -20.0286 18.4135 -20.0286 -12.071 19.8689 18.4135 19.8689 -10.0309 GPRESSAVG: 3658800 18.3982 -18.214 18.7888 -21.6623 -10.8962 21.3815 16.7962 20.2568 -10.8999 TIMING: 3658800 CPU: 11561.2, 0.00313096/step Wall: 11561.2, 0.00313096/step, 1.16646 hours remaining, 237.519531 MB of memory in use. ENERGY: 3658800 4027.6126 20616.0021 14431.5944 248.0287 -202730.3009 2303.5746 0.0000 0.0000 52121.7593 -108981.7291 299.5445 -161103.4884 -108623.0589 299.6850 -98.0017 -69.7085 760911.9651 -1.0895 -1.1326 PRESSURE: 3659000 -46.0853 34.6494 90.733 34.6493 66.2918 13.7409 90.7336 13.74 -183.019 GPRESSURE: 3659000 -18.8817 42.1986 147.097 -67.6357 120.028 77.8691 69.9886 -75.7812 -184.146 PRESSAVG: 3659000 17.6935 1.41962 74.2407 1.41957 -40.969 3.77134 74.2407 3.7714 0.963764 GPRESSAVG: 3659000 18.8902 0.734392 74.9876 3.62302 -41.2273 2.69199 74.3839 5.06433 0.363206 TIMING: 3659000 CPU: 11561.8, 0.0031503/step Wall: 11561.8, 0.0031503/step, 1.17349 hours remaining, 237.519531 MB of memory in use. ENERGY: 3659000 3957.7624 20555.9386 14463.8765 249.6463 -203182.2872 2627.8782 0.0000 0.0000 52205.6673 -109121.5180 300.0267 -161327.1853 -108769.8364 299.9713 -54.2707 -27.6664 762047.3245 -7.4373 -7.3246 PRESSURE: 3659200 309.775 103.569 55.4262 103.57 -99.537 -173.77 55.4277 -173.772 -32.3398 GPRESSURE: 3659200 278.91 169.41 10.6346 -7.27164 -55.3072 -138.953 4.51135 -44.2823 30.7421 PRESSAVG: 3659200 -21.5352 8.26946 5.64699 8.2695 -27.9359 12.3652 5.64701 12.3651 18.5798 GPRESSAVG: 3659200 -21.6186 9.33704 3.63904 7.05437 -29.0274 12.2028 7.53207 11.3582 19.5586 TIMING: 3659200 CPU: 11562.5, 0.0031493/step Wall: 11562.5, 0.0031493/step, 1.17294 hours remaining, 237.519531 MB of memory in use. ENERGY: 3659200 4019.1439 20576.5856 14440.6042 254.0238 -203376.9963 2784.2309 0.0000 0.0000 52127.6304 -109174.7775 299.5782 -161302.4079 -108820.0553 299.7251 59.2994 84.7815 763207.8992 -10.2971 -10.3625 PRESSURE: 3659400 -1.99194 -111.738 -84.7906 -111.739 -510.108 -116.288 -84.7906 -116.288 -491.062 GPRESSURE: 3659400 -8.6135 -113.464 -79.7497 -46.7604 -384.293 -68.285 64.3422 -64.632 -506.143 PRESSAVG: 3659400 0.565409 -48.1758 10.113 -48.1758 -8.05077 46.0416 10.113 46.0415 -14.1036 GPRESSAVG: 3659400 -0.0474052 -47.93 12.3584 -48.617 -6.25281 47.1724 9.09658 45.8591 -15.2434 TIMING: 3659400 CPU: 11563.1, 0.00313241/step Wall: 11563.1, 0.00313241/step, 1.16647 hours remaining, 237.519531 MB of memory in use. ENERGY: 3659400 3991.8194 20573.4049 14463.0419 226.9172 -202950.1008 2381.8949 0.0000 0.0000 52120.6050 -109192.4174 299.5378 -161313.0225 -108823.2853 299.7698 -334.3873 -299.6830 764180.5629 -7.1963 -7.1812 PRESSURE: 3659600 -67.145 18.7438 -24.2299 18.7442 212.13 -48.9998 -24.2302 -48.9997 -23.8951 GPRESSURE: 3659600 50.9926 -20.9038 45.3965 -33.0333 100.158 -19.2132 -151.147 106.558 73.3147 PRESSAVG: 3659600 -42.5322 -42.545 21.691 -42.545 12.4892 23.0579 21.691 23.0578 -2.05955 GPRESSAVG: 3659600 -42.5043 -43.0914 20.2572 -42.4329 11.9174 21.7974 23.4838 25.6523 -1.33481 TIMING: 3659600 CPU: 11563.7, 0.00313212/step Wall: 11563.7, 0.00313212/step, 1.16619 hours remaining, 237.519531 MB of memory in use. ENERGY: 3659600 4030.8860 20491.8463 14448.7271 225.4901 -203399.7590 2856.9144 0.0000 0.0000 52236.2917 -109109.6034 300.2027 -161345.8951 -108750.1575 299.9596 40.3634 74.8219 762509.5511 -10.7008 -10.6406 PRESSURE: 3659800 228.23 -104.452 -91.9379 -104.452 111.335 -1.78564 -91.9375 -1.78588 7.27884 GPRESSURE: 3659800 277.1 -193.862 -120.134 3.46609 107.64 10.8303 -65.6305 -181.153 43.6195 PRESSAVG: 3659800 20.0782 -59.0026 -9.95241 -59.0025 -33.6047 -6.47499 -9.95248 -6.47496 10.9303 GPRESSAVG: 3659800 19.1279 -59.7104 -11.4462 -59.6126 -33.0971 -4.92311 -11.9526 -8.25592 11.3023 TIMING: 3659800 CPU: 11564.3, 0.00316003/step Wall: 11564.3, 0.00316003/step, 1.17641 hours remaining, 237.519531 MB of memory in use. ENERGY: 3659800 3950.8613 20556.7322 14435.0652 236.8563 -203022.7418 2606.1223 0.0000 0.0000 52208.7169 -109028.3877 300.0442 -161237.1045 -108656.4486 299.6286 115.6147 142.7865 763072.7559 -0.8654 -0.8890 PRESSURE: 3660000 65.5949 66.536 -131.167 66.5366 235.966 2.49998 -131.166 2.49966 7.43812 GPRESSURE: 3660000 109.552 113.642 -135.705 -28.4996 223.088 -46.5279 -76.3721 -11.924 48.9607 PRESSAVG: 3660000 0.409782 -62.2053 -22.6278 -62.2053 21.477 55.1983 -22.6278 55.1984 -7.68478 GPRESSAVG: 3660000 1.93689 -60.0702 -21.4174 -60.0454 19.1502 52.9718 -21.7742 55.7339 -6.64987 TIMING: 3660000 CPU: 11565, 0.0031498/step Wall: 11565, 0.0031498/step, 1.17243 hours remaining, 237.519531 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: 3660000 3970.0468 20557.1922 14476.8974 263.5139 -203118.7649 2673.9004 0.0000 0.0000 52299.0406 -108878.1735 300.5633 -161177.2141 -108516.2007 299.8392 102.9996 127.2005 762571.3940 4.7340 4.8124 PRESSURE: 3660200 -148.803 -107.078 -75.2549 -107.078 -277.338 -125.655 -75.2552 -125.655 -94.5826 GPRESSURE: 3660200 -149.715 -109.706 -191.922 -172.448 -173.029 -79.5598 -204.355 -178.596 -109.69 PRESSAVG: 3660200 -53.3975 -28.8206 -16.4546 -28.8206 54.4086 4.23095 -16.4546 4.23097 6.26301 GPRESSAVG: 3660200 -54.0856 -31.0106 -17.22 -29.6274 56.4331 6.27265 -18.4028 4.95412 5.16612 TIMING: 3660200 CPU: 11565.6, 0.00313702/step Wall: 11565.6, 0.00313702/step, 1.16749 hours remaining, 237.519531 MB of memory in use. ENERGY: 3660200 4043.3228 20554.2585 14447.9818 246.9452 -203136.5842 2690.3519 0.0000 0.0000 51947.3340 -109206.3901 298.5420 -161153.7241 -108838.4585 299.6708 -173.5745 -144.1444 762729.7913 2.4247 2.5045 LDB: ============= START OF LOAD BALANCING ============== 11578.1 LDB: ============== END OF LOAD BALANCING =============== 11578.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11578.1 LDB: ============= START OF LOAD BALANCING ============== 11578.4 LDB: Largest compute 7075 load 0.031385 is 16.0% of average load 0.195588 LDB: Average compute 0.004387 is 2.2% of average load 0.195588 LDB: TIME 11578.4 LOAD: AVG 0.195588 MAX 0.214613 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.742 MB LDB: TIME 11578.4 LOAD: AVG 0.195588 MAX 0.214613 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: TIME 11578.4 LOAD: AVG 0.195588 MAX 0.214613 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: ============== END OF LOAD BALANCING =============== 11578.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11578.5 PRESSURE: 3660400 29.2387 -9.43216 -39.7202 -9.4327 64.6111 345.875 -39.7193 345.874 299.745 GPRESSURE: 3660400 61.1877 -24.1123 12.8806 13.1447 159.297 300.531 92.3461 377.381 289.543 PRESSAVG: 3660400 -16.7831 -57.6951 -43.2558 -57.695 -4.18898 39.3212 -43.2558 39.3212 5.86986 GPRESSAVG: 3660400 -17.0694 -57.2345 -42.2231 -58.3408 -3.87794 38.1732 -41.7797 39.7216 6.08104 TIMING: 3660400 CPU: 11566.2, 0.00321958/step Wall: 11566.2, 0.00321958/step, 1.19804 hours remaining, 235.894531 MB of memory in use. ENERGY: 3660400 4034.3569 20560.4423 14455.7049 236.3266 -203297.4274 2710.6216 0.0000 0.0000 52164.1778 -109135.7973 299.7882 -161299.9752 -108772.0600 299.6528 131.1982 170.0092 762798.4971 -5.0341 -4.9554 PRESSURE: 3660600 101.964 -140.574 -94.3964 -140.575 -284.843 -112.857 -94.3956 -112.856 -221.203 GPRESSURE: 3660600 76.9227 -87.5671 -68.4558 -23.1906 -168.198 -42.5663 0.581002 -193.338 -224.446 PRESSAVG: 3660600 1.25006 -65.3357 1.17964 -65.3357 13.2227 23.0156 1.17963 23.0156 -8.49379 GPRESSAVG: 3660600 1.27155 -64.9781 0.926143 -64.2986 12.9335 24.6449 1.40559 19.5113 -8.60805 TIMING: 3660600 CPU: 11566.9, 0.0031416/step Wall: 11566.9, 0.0031416/step, 1.16885 hours remaining, 236.097656 MB of memory in use. ENERGY: 3660600 3940.9665 20555.5874 14450.8498 258.3893 -203067.8934 2661.0715 0.0000 0.0000 52044.7687 -109156.2601 299.1020 -161201.0288 -108790.1319 300.1306 -134.6939 -105.2403 761861.2526 1.9930 1.8657 PRESSURE: 3660800 -167.766 -131.281 36.1096 -131.282 51.1873 -95.539 36.109 -95.5387 32.402 GPRESSURE: 3660800 -112.373 -135.613 155.494 -189.377 145.669 -74.549 -1.21918 79.579 -20.3032 PRESSAVG: 3660800 74.4817 -78.9017 8.02782 -78.9017 -34.7938 -35.1421 8.02772 -35.1422 7.21342 GPRESSAVG: 3660800 74.6309 -80.5806 9.45611 -80.0741 -35.8769 -35.3193 5.78275 -32.0582 7.74529 TIMING: 3660800 CPU: 11567.5, 0.00316128/step Wall: 11567.5, 0.00316128/step, 1.176 hours remaining, 236.175781 MB of memory in use. ENERGY: 3660800 4004.7229 20573.5947 14440.3657 246.1723 -202742.1429 2361.2382 0.0000 0.0000 52191.6130 -108924.4362 299.9459 -161116.0492 -108559.0393 300.7352 -28.0588 4.3309 761532.1991 15.6338 15.4997 PRESSURE: 3661000 201.916 -61.3485 -160.299 -61.3493 -37.2684 31.0119 -160.3 31.0126 393.121 GPRESSURE: 3661000 358.969 -127.472 -147.662 -93.2833 52.0793 67.1751 -2.1789 -48.8447 247.821 PRESSAVG: 3661000 4.07308 -44.4292 -20.9462 -44.4292 -23.5502 -41.0086 -20.9462 -41.0086 9.09389 GPRESSAVG: 3661000 4.02899 -44.5722 -22.097 -41.5998 -22.4949 -42.1407 -17.8629 -40.4063 8.40972 TIMING: 3661000 CPU: 11568.1, 0.00316019/step Wall: 11568.1, 0.00316019/step, 1.17542 hours remaining, 236.175781 MB of memory in use. ENERGY: 3661000 3975.8978 20604.4622 14439.8992 232.2367 -202985.1909 2385.7628 0.0000 0.0000 52322.3379 -109024.5944 300.6972 -161346.9323 -108659.6002 300.6499 185.9231 219.6231 760022.9765 -3.4611 -3.3521 PRESSURE: 3661200 -57.7654 82.1502 -289.925 82.1496 122.916 -179.963 -289.925 -179.964 423.017 GPRESSURE: 3661200 14.2404 176.492 -348.239 73.6367 92.6305 -61.8018 -228.86 -283.528 469.657 PRESSAVG: 3661200 76.6924 -74.9397 -20.5801 -74.9397 -36.4381 -3.53984 -20.5801 -3.53983 -8.56298 GPRESSAVG: 3661200 76.7964 -73.3702 -21.2832 -78.4706 -36.5423 -2.07559 -21.5793 -5.68494 -8.47348 TIMING: 3661200 CPU: 11568.8, 0.00315907/step Wall: 11568.8, 0.00315907/step, 1.17482 hours remaining, 236.378906 MB of memory in use. ENERGY: 3661200 3912.6645 20466.8048 14475.9402 247.8577 -203057.9031 2482.6604 0.0000 0.0000 52556.2651 -108915.7104 302.0416 -161471.9755 -108540.4509 300.4579 162.7225 192.1759 759891.9771 10.5638 10.5935 PRESSURE: 3661400 -22.5331 -8.27005 -18.0107 -8.27126 -289.163 -88.6999 -18.011 -88.6996 -61.4219 GPRESSURE: 3661400 11.41 31.995 16.9533 2.66122 -262.494 -145.179 -32.3968 -68.6959 -45.2267 PRESSAVG: 3661400 80.6436 -29.8174 -13.3303 -29.8174 -32.6202 -12.0823 -13.3302 -12.0823 10.9873 GPRESSAVG: 3661400 80.4898 -30.1874 -11.6653 -27.8994 -32.9319 -10.8729 -14.3633 -13.3275 10.9181 TIMING: 3661400 CPU: 11569.4, 0.00314044/step Wall: 11569.4, 0.00314044/step, 1.16772 hours remaining, 236.378906 MB of memory in use. ENERGY: 3661400 3970.2951 20504.5997 14427.1022 246.5477 -203067.9972 2484.7774 0.0000 0.0000 52579.0893 -108855.5857 302.1727 -161434.6751 -108484.5300 300.8323 -124.3726 -98.7702 761997.7464 19.6702 19.4920 PRESSURE: 3661600 -40.8549 93.1609 75.2389 93.1606 -178.925 -2.99825 75.2387 -2.99869 198.524 GPRESSURE: 3661600 1.77776 73.7711 64.0852 17.6488 -110.568 45.0679 24.1141 107.404 184.585 PRESSAVG: 3661600 61.7674 -63.0147 -37.1053 -63.0148 -118.577 11.0667 -37.1053 11.0668 17.4318 GPRESSAVG: 3661600 63.1915 -64.1016 -39.1076 -63.2074 -119.851 10.4801 -37.4648 13.5961 17.4362 TIMING: 3661600 CPU: 11570, 0.00315987/step Wall: 11570, 0.00315987/step, 1.17477 hours remaining, 236.378906 MB of memory in use. ENERGY: 3661600 3902.6063 20724.2259 14432.7416 255.1621 -202741.1232 2281.8925 0.0000 0.0000 52359.2347 -108785.2601 300.9092 -161144.4948 -108419.4495 300.9632 -7.0852 25.2651 761508.5557 -13.1260 -13.0745 PRESSURE: 3661800 129.169 -195.537 -301.853 -195.537 -583.793 15.6756 -301.854 15.6752 6.92437 GPRESSURE: 3661800 144.15 -137.566 -285.38 -190.764 -462.359 -1.75363 -305.878 -14.967 -65.3922 PRESSAVG: 3661800 1.31717 -34.6091 -17.5983 -34.6091 -27.0932 46.8121 -17.5982 46.8122 4.28124 GPRESSAVG: 3661800 1.58304 -33.2604 -16.4496 -34.8056 -26.8175 45.7871 -18.6935 45.7173 4.09322 TIMING: 3661800 CPU: 11570.7, 0.00316731/step Wall: 11570.7, 0.00316731/step, 1.17736 hours remaining, 236.378906 MB of memory in use. ENERGY: 3661800 3936.9355 20684.0986 14455.9611 268.3091 -203011.0717 2392.4296 0.0000 0.0000 52335.1811 -108938.1566 300.7710 -161273.3377 -108563.9072 300.2756 -149.2330 -127.8670 761704.7070 -7.1649 -7.0471 PRESSURE: 3662000 55.5437 -68.2566 257.01 -68.2568 -92.7142 -307.592 257.01 -307.592 159.692 GPRESSURE: 3662000 -19.5224 -41.2912 220.463 -81.9563 58.5973 -251.896 256.349 -231.724 147.457 PRESSAVG: 3662000 28.7958 -7.62243 -19.4573 -7.62244 -42.7437 2.27404 -19.4573 2.27403 -4.25392 GPRESSAVG: 3662000 29.1811 -7.03665 -19.9411 -8.87238 -42.5528 1.42258 -19.6762 6.54131 -4.55309 TIMING: 3662000 CPU: 11571.3, 0.00316002/step Wall: 11571.3, 0.00316002/step, 1.17447 hours remaining, 236.367188 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: 3662000 4038.9872 20553.2430 14457.3191 243.5149 -203242.2252 2765.7235 0.0000 0.0000 52241.8979 -108941.5395 300.2349 -161183.4374 -108573.6438 300.4145 40.8406 62.1773 762934.6317 -6.0673 -5.9749 PRESSURE: 3662200 74.0233 69.722 -285.62 69.7226 -56.782 54.1969 -285.62 54.1979 -34.2691 GPRESSURE: 3662200 114.747 151.155 -359.139 -95.6399 -99.2593 6.37485 -263.039 -63.6835 37.6778 PRESSAVG: 3662200 18.9158 -19.2045 17.6008 -19.2045 -29.2309 -28.2473 17.6008 -28.2473 15.2343 GPRESSAVG: 3662200 17.4069 -20.0273 17.6508 -17.7615 -28.8474 -27.1618 18.5208 -30.2116 16.6846 TIMING: 3662200 CPU: 11571.9, 0.00315465/step Wall: 11571.9, 0.00315465/step, 1.1723 hours remaining, 236.367188 MB of memory in use. ENERGY: 3662200 3958.1918 20766.9094 14525.7636 247.9443 -203170.2376 2376.9152 0.0000 0.0000 52362.4685 -108932.0448 300.9278 -161294.5133 -108571.1144 300.4767 -5.6759 17.7217 761316.0960 1.6397 1.7481 PRESSURE: 3662400 -137.999 -23.0618 -134.571 -23.0633 80.571 -67.5233 -134.57 -67.5234 -262.828 GPRESSURE: 3662400 -96.9202 -57.9829 -27.764 -16.701 108.139 -77.8509 -82.6898 74.2016 -230.352 PRESSAVG: 3662400 0.666102 3.46646 -48.8919 3.46643 1.21437 -56.7815 -48.8918 -56.7815 2.14589 GPRESSAVG: 3662400 1.05013 2.01353 -46.4629 1.23361 1.19894 -59.1398 -49.3484 -56.4851 1.85056 TIMING: 3662400 CPU: 11572.5, 0.0031585/step Wall: 11572.5, 0.0031585/step, 1.17356 hours remaining, 236.378906 MB of memory in use. ENERGY: 3662400 3985.6087 20650.9385 14471.6053 248.8350 -203468.3064 2791.1758 0.0000 0.0000 52328.8945 -108991.2486 300.7349 -161320.1431 -108620.3353 300.2829 -106.7521 -73.0445 762690.2296 1.3421 1.3665 PRESSURE: 3662600 -204.382 -12.241 41.5393 -12.2412 -76.1544 -45.532 41.5386 -45.5313 127.691 GPRESSURE: 3662600 -195.649 -9.95112 122.183 -75.073 -35.546 57.3954 48.7196 -94.8942 187.573 PRESSAVG: 3662600 0.723007 -8.58249 -38.8323 -8.58253 2.19378 38.0413 -38.8323 38.0414 -4.37652 GPRESSAVG: 3662600 0.509107 -7.10286 -42.0242 -7.49742 2.73505 41.1479 -38.1729 37.5758 -4.86121 TIMING: 3662600 CPU: 11573.2, 0.00315455/step Wall: 11573.2, 0.00315455/step, 1.17192 hours remaining, 236.378906 MB of memory in use. ENERGY: 3662600 4095.2845 20676.9596 14403.4327 250.9963 -203525.2908 2687.1409 0.0000 0.0000 52302.6958 -109108.7810 300.5843 -161411.4769 -108734.9028 300.3023 -50.9485 -14.5407 760797.3005 -0.4866 -0.5390 PRESSURE: 3662800 -70.7323 -234.741 -35.2641 -234.742 -77.2144 -65.6714 -35.2643 -65.6713 197.034 GPRESSURE: 3662800 -39.0774 -125.334 -31.2227 -44.6262 -13.1152 -99.6545 -73.2204 -50.8513 188.556 PRESSAVG: 3662800 61.0726 -50.0709 -27.0744 -50.071 -41.395 6.48665 -27.0744 6.48657 -14.3557 GPRESSAVG: 3662800 61.3471 -48.138 -26.9668 -49.5365 -42.453 5.29999 -26.3915 6.77904 -13.8076 TIMING: 3662800 CPU: 11573.8, 0.00319151/step Wall: 11573.8, 0.00319151/step, 1.18547 hours remaining, 236.378906 MB of memory in use. ENERGY: 3662800 4014.7163 20709.2812 14422.8103 245.2486 -203720.7259 3091.7221 0.0000 0.0000 52271.2234 -108965.7240 300.4034 -161236.9474 -108606.9739 300.9349 16.3624 45.4546 761490.9962 1.7739 1.6955 PRESSURE: 3663000 107.392 34.1491 -119.19 34.1491 110.67 36.6591 -119.19 36.6594 366.906 GPRESSURE: 3663000 86.327 65.6047 -75.2147 87.8773 235.946 31.7347 -110.194 -83.3565 335.029 PRESSAVG: 3663000 -1.87772 -21.37 25.6683 -21.37 23.4502 20.5893 25.6683 20.5892 16.2968 GPRESSAVG: 3663000 -1.50248 -21.9066 25.5973 -21.3718 23.8124 20.5642 25.3439 19.6844 15.8913 TIMING: 3663000 CPU: 11574.5, 0.00317205/step Wall: 11574.5, 0.00317205/step, 1.17806 hours remaining, 236.378906 MB of memory in use. ENERGY: 3663000 3998.9304 20638.7914 14335.0913 239.4217 -203490.6313 2934.8984 0.0000 0.0000 52351.2561 -108992.2421 300.8634 -161343.4982 -108626.7854 300.3128 194.9896 219.1005 760996.2138 12.6231 12.7337 PRESSURE: 3663200 -209.506 -25.8383 -96.1792 -25.838 -42.6205 -37.8381 -96.1789 -37.8375 63.0596 GPRESSURE: 3663200 -129.845 -105.012 -210.229 -6.70289 -83.9032 61.526 -47.4449 -26.1726 129.506 PRESSAVG: 3663200 -13.1351 -1.19671 -8.74821 -1.19672 -39.3883 49.8385 -8.74825 49.8387 7.14155 GPRESSAVG: 3663200 -14.2514 -3.10807 -8.77661 -0.457275 -37.743 50.5872 -9.19841 50.2843 7.07268 TIMING: 3663200 CPU: 11575.1, 0.00316192/step Wall: 11575.1, 0.00316192/step, 1.17413 hours remaining, 236.378906 MB of memory in use. ENERGY: 3663200 4015.1105 20691.7699 14431.0017 240.0673 -203166.4368 2490.8472 0.0000 0.0000 51899.3636 -109398.2767 298.2664 -161297.6402 -109044.9168 300.1723 -63.0223 -28.0806 762676.1927 -15.1273 -14.9739 PRESSURE: 3663400 52.942 56.5894 125.961 56.5909 -2.11144 19.6604 125.962 19.661 -121.992 GPRESSURE: 3663400 114.954 174.512 95.0578 -25.5141 13.2491 55.6329 106.194 -70.5806 -144.024 PRESSAVG: 3663400 46.1502 15.8437 -5.51597 15.8436 -46.4926 -21.4616 -5.51597 -21.4617 2.96753 GPRESSAVG: 3663400 47.6124 15.776 -6.80247 13.8369 -47.2336 -20.9965 -4.06372 -22.6448 2.19167 TIMING: 3663400 CPU: 11575.7, 0.00315361/step Wall: 11575.7, 0.00315361/step, 1.17087 hours remaining, 236.378906 MB of memory in use. ENERGY: 3663400 3983.7632 20537.5886 14345.7525 220.7975 -203137.6010 2487.9372 0.0000 0.0000 52208.6314 -109353.1307 300.0437 -161561.7621 -108993.6906 299.4220 -23.7205 -5.2738 762303.1482 0.8750 0.8568 PRESSURE: 3663600 133.587 80.3437 -140.987 80.343 -15.0624 -107.867 -140.987 -107.866 253.765 GPRESSURE: 3663600 209.953 126.31 -129.808 128.56 -73.4151 -68.5291 -259.048 -59.7253 313.195 PRESSAVG: 3663600 56.3859 -30.3362 -21.1362 -30.3362 -97.2385 -43.3763 -21.1362 -43.3763 -5.75414 GPRESSAVG: 3663600 56.079 -29.4539 -21.389 -29.6634 -98.8272 -43.6861 -23.1891 -42.9565 -4.28678 TIMING: 3663600 CPU: 11576.3, 0.0031459/step Wall: 11576.3, 0.0031459/step, 1.16783 hours remaining, 236.378906 MB of memory in use. ENERGY: 3663600 3984.1672 20651.4854 14331.7859 275.8880 -203442.6738 2781.8233 0.0000 0.0000 52081.6702 -109335.8538 299.3141 -161417.5240 -108978.4469 299.3301 124.0967 149.9112 761721.4659 -15.5356 -15.6783 PRESSURE: 3663800 -41.0376 -241.454 -281.748 -241.455 10.033 -196.408 -281.748 -196.408 144.172 GPRESSURE: 3663800 53.6189 -179.081 -192.39 -0.744507 -64.4682 -193.229 -201.403 -114.755 203.732 PRESSAVG: 3663800 36.9059 4.42932 -32.8543 4.42925 -43.7016 26.5349 -32.8543 26.535 23.8627 GPRESSAVG: 3663800 37.5068 3.77677 -30.9206 6.72107 -42.4326 25.973 -32.7551 27.4229 22.2951 TIMING: 3663800 CPU: 11577, 0.00315184/step Wall: 11577, 0.00315184/step, 1.16986 hours remaining, 236.378906 MB of memory in use. ENERGY: 3663800 3956.1839 20510.4327 14400.0706 255.5684 -203178.1608 2489.2146 0.0000 0.0000 52387.4976 -109179.1930 301.0717 -161566.6905 -108809.1952 299.7942 37.7226 64.2943 760269.8981 5.6890 5.7898 PRESSURE: 3664000 -219.145 132.75 -128.261 132.75 228.52 -191.625 -128.262 -191.626 172.875 GPRESSURE: 3664000 -185.898 21.0985 -97.231 157.641 253.711 -175.686 -71.1242 -219.883 181.823 PRESSAVG: 3664000 -26.1335 -87.6821 0.112366 -87.6821 -15.0049 0.328639 0.112328 0.328562 -4.03851 GPRESSAVG: 3664000 -27.3173 -88.4462 -1.09996 -89.5827 -14.4084 0.716839 1.26987 -0.789371 -3.9581 TIMING: 3664000 CPU: 11577.6, 0.00316209/step Wall: 11577.6, 0.00316209/step, 1.17349 hours remaining, 236.378906 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: 3664000 3976.5176 20662.0219 14389.4772 262.1812 -202990.8547 2532.6214 0.0000 0.0000 51975.0214 -109193.0142 298.7012 -161168.0355 -108827.7386 299.7652 60.7501 83.2121 762852.6689 -15.0590 -15.2279 PRESSURE: 3664200 -2.23734 1.51756 -42.3636 1.51822 130.484 55.769 -42.3636 55.769 -109.42 GPRESSURE: 3664200 -47.2803 -21.3445 -105.671 2.32116 234.738 -25.2328 -114.478 75.3343 -59.703 PRESSAVG: 3664200 -15.8006 -13.1079 -7.97154 -13.108 -41.0343 5.22372 -7.97155 5.22367 10.874 GPRESSAVG: 3664200 -15.6405 -14.2871 -8.10142 -13.9046 -41.7779 4.24614 -8.81821 5.21217 12.2416 TIMING: 3664200 CPU: 11578.2, 0.00317005/step Wall: 11578.2, 0.00317004/step, 1.17626 hours remaining, 236.378906 MB of memory in use. ENERGY: 3664200 4047.4893 20729.2118 14385.1589 226.8261 -203232.4919 2607.8859 0.0000 0.0000 52071.0247 -109164.8952 299.2529 -161235.9199 -108803.1537 300.2877 6.2756 42.5850 762882.7019 -15.3203 -15.0589 LDB: ============= START OF LOAD BALANCING ============== 11590.8 LDB: ============== END OF LOAD BALANCING =============== 11590.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11590.8 LDB: ============= START OF LOAD BALANCING ============== 11591.1 LDB: Largest compute 7075 load 0.032864 is 16.8% of average load 0.195615 LDB: Average compute 0.004363 is 2.2% of average load 0.195615 LDB: TIME 11591.1 LOAD: AVG 0.195615 MAX 0.216313 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.934 MB LDB: TIME 11591.1 LOAD: AVG 0.195615 MAX 0.216313 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.137 MB LDB: TIME 11591.1 LOAD: AVG 0.195615 MAX 0.216313 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.137 MB LDB: ============== END OF LOAD BALANCING =============== 11591.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11591.1 PRESSURE: 3664400 74.0707 -49.5135 -47.318 -49.5135 158.752 155.368 -47.3186 155.368 -88.6114 GPRESSURE: 3664400 108.915 -148.894 -53.6761 -72.6232 122.17 169.028 -5.02445 148.81 -16.5537 PRESSAVG: 3664400 -18.613 -22.8618 -10.801 -22.8618 -13.1889 47.4032 -10.801 47.4032 -9.14747 GPRESSAVG: 3664400 -17.3936 -22.2936 -11.0284 -21.4194 -13.5376 47.6 -9.69619 48.0917 -10.2004 TIMING: 3664400 CPU: 11578.9, 0.00322464/step Wall: 11578.9, 0.00322464/step, 1.19634 hours remaining, 236.472656 MB of memory in use. ENERGY: 3664400 3953.4989 20512.1682 14384.6854 234.9089 -203245.1110 2694.0054 0.0000 0.0000 52207.6640 -109258.1802 300.0382 -161465.8442 -108884.8353 299.8646 48.0703 71.5104 761966.9639 -13.6498 -13.7105 PRESSURE: 3664600 203.322 147.707 -292.098 147.708 -12.9971 180.586 -292.098 180.586 -2.43376 GPRESSURE: 3664600 271.277 180.946 -347.774 162.514 16.9299 258.914 -242.395 11.2135 -32.0841 PRESSAVG: 3664600 19.7504 12.0098 -5.38548 12.0099 12.7295 8.99702 -5.38549 8.99706 0.474558 GPRESSAVG: 3664600 18.8671 10.1748 -4.85681 11.6869 13.5787 9.19864 -6.97745 8.34396 0.796673 TIMING: 3664600 CPU: 11579.5, 0.00317441/step Wall: 11579.5, 0.00317441/step, 1.17753 hours remaining, 236.675781 MB of memory in use. ENERGY: 3664600 4015.9878 20514.6117 14447.0937 244.3714 -203424.9904 2812.7338 0.0000 0.0000 52035.0084 -109355.1836 299.0459 -161390.1920 -108988.8275 299.5527 62.6305 85.3742 762230.4224 10.9848 11.0808 PRESSURE: 3664800 -382.994 -76.1042 -77.863 -76.1035 -114.306 151.302 -77.8632 151.302 64.9645 GPRESSURE: 3664800 -327.117 -109.719 -85.8734 -73.1461 -56.1141 34.9136 -35.8155 135.589 41.6308 PRESSAVG: 3664800 1.57468 7.6131 47.5902 7.6131 -21.6653 -47.4383 47.5902 -47.4383 -15.012 GPRESSAVG: 3664800 2.78917 10.1983 47.0333 7.88653 -22.9579 -48.0724 48.857 -45.6691 -14.6359 TIMING: 3664800 CPU: 11580.2, 0.00315841/step Wall: 11580.2, 0.00315841/step, 1.17142 hours remaining, 236.675781 MB of memory in use. ENERGY: 3664800 4033.2622 20574.3629 14420.6121 247.5564 -203255.3083 2517.0932 0.0000 0.0000 51944.6532 -109517.7683 298.5266 -161462.4215 -109148.3020 299.3369 -144.1116 -113.8667 762238.6928 -11.7009 -11.6016 PRESSURE: 3665000 36.5556 187.874 103.937 187.874 83.8508 -178.41 103.938 -178.411 205.909 GPRESSURE: 3665000 37.514 111.778 74.3682 100.859 126.14 -124.322 -28.9865 -179.705 254.624 PRESSAVG: 3665000 -35.9232 6.08209 1.09467 6.0821 31.2195 5.62987 1.09468 5.62982 -2.17341 GPRESSAVG: 3665000 -36.1646 5.93002 2.68236 6.56466 31.7031 4.94769 2.53375 4.79667 -2.10752 TIMING: 3665000 CPU: 11580.8, 0.00316749/step Wall: 11580.8, 0.00316749/step, 1.17461 hours remaining, 236.675781 MB of memory in use. ENERGY: 3665000 3988.7642 20666.0109 14391.2425 240.6467 -203859.2667 2838.9855 0.0000 0.0000 52373.9679 -109359.6490 300.9939 -161733.6169 -108995.8504 299.3801 108.7718 139.4260 761551.8616 -2.2924 -2.1897 PRESSURE: 3665200 20.599 -61.2285 -126.958 -61.2293 -125.484 -120.084 -126.958 -120.084 178.067 GPRESSURE: 3665200 25.2226 47.2861 -83.8851 16.968 -109.809 -164.643 -112.97 1.76045 230.322 PRESSAVG: 3665200 33.4746 37.5799 -42.2866 37.5799 -29.8258 3.81037 -42.2865 3.81032 11.1639 GPRESSAVG: 3665200 33.5832 38.7782 -43.3006 36.8683 -30.573 5.64917 -43.2131 4.12273 11.3735 TIMING: 3665200 CPU: 11581.4, 0.00315727/step Wall: 11581.4, 0.00315727/step, 1.17065 hours remaining, 236.675781 MB of memory in use. ENERGY: 3665200 3957.2358 20599.0007 14429.8977 237.4034 -203441.9891 2675.1969 0.0000 0.0000 52122.9037 -109420.3508 299.5510 -161543.2545 -109058.6808 299.7059 24.3942 48.5784 761356.9382 4.9376 4.7946 PRESSURE: 3665400 -223.436 -155.389 -106.003 -155.389 -167.009 -250.827 -106.003 -250.827 -141.426 GPRESSURE: 3665400 -194.493 -201.022 -35.1284 55.8704 -85.8575 -191.826 -118.863 -298.233 -174.447 PRESSAVG: 3665400 16.056 0.931856 -9.99973 0.931854 -29.1192 -23.4435 -9.99973 -23.4434 12.4191 GPRESSAVG: 3665400 15.7074 1.35001 -10.255 1.90895 -29.2065 -22.826 -10.8009 -23.5394 12.9445 TIMING: 3665400 CPU: 11582.1, 0.00316236/step Wall: 11582.1, 0.00316236/step, 1.17236 hours remaining, 236.675781 MB of memory in use. ENERGY: 3665400 3936.5105 20619.2437 14456.1587 243.9759 -203063.5492 2586.6666 0.0000 0.0000 51889.7982 -109331.1956 298.2114 -161220.9938 -108970.3767 298.9447 -177.2901 -151.5993 763964.2023 -0.2147 -0.1848 PRESSURE: 3665600 204.359 -55.9102 59.5978 -55.9108 10.9896 -88.2584 59.5973 -88.2587 362.007 GPRESSURE: 3665600 227.827 -131.855 43.9814 -87.3271 93.4296 -80.0788 -33.7118 -240.352 323.436 PRESSAVG: 3665600 40.6591 0.00963465 19.6459 0.00963065 -34.6196 -100.912 19.6459 -100.912 -24.0129 GPRESSAVG: 3665600 40.0235 -3.34985 20.3159 0.0852252 -32.6873 -102.388 20.7241 -102.145 -24.8836 TIMING: 3665600 CPU: 11582.7, 0.00317505/step Wall: 11582.7, 0.00317505/step, 1.17689 hours remaining, 236.675781 MB of memory in use. ENERGY: 3665600 4014.5380 20525.9143 14440.0435 239.7489 -203129.6416 2681.7740 0.0000 0.0000 51956.8125 -109270.8104 298.5965 -161227.6230 -108904.8370 299.6220 192.4521 214.8973 760992.1705 -5.9911 -5.8491 PRESSURE: 3665800 -49.7196 23.6411 230.197 23.6424 17.3772 -5.1735 230.198 -5.17433 101.156 GPRESSURE: 3665800 91.7129 73.0128 221.346 142.558 -102.807 17.2646 248.053 -20.1129 160.661 PRESSAVG: 3665800 66.6467 -6.47512 11.3711 -6.47513 -57.3964 -37.7959 11.3711 -37.796 14.1176 GPRESSAVG: 3665800 68.6568 -5.97758 11.0079 -6.45275 -59.6803 -37.8201 11.2513 -38.1875 13.8539 TIMING: 3665800 CPU: 11583.3, 0.0031582/step Wall: 11583.3, 0.0031582/step, 1.17047 hours remaining, 236.675781 MB of memory in use. ENERGY: 3665800 4006.3964 20745.7065 14358.3241 260.9667 -203285.3557 2607.3493 0.0000 0.0000 52116.9321 -109189.6807 299.5167 -161306.6128 -108830.7116 299.7998 22.9379 49.8557 761647.0538 7.7893 7.6101 PRESSURE: 3666000 -168.955 -42.0687 -74.397 -42.0689 -37.3489 -51.2965 -74.3957 -51.2962 203.255 GPRESSURE: 3666000 -145.873 27.2249 -77.0686 -113.139 -11.5521 -103.075 -9.38524 -12.9383 236.338 PRESSAVG: 3666000 7.82969 -7.69867 -17.2831 -7.69868 1.9505 -8.79941 -17.283 -8.79938 -11.1261 GPRESSAVG: 3666000 7.57886 -5.41034 -16.4379 -8.61851 2.21223 -9.94322 -18.6144 -5.79837 -11.2575 TIMING: 3666000 CPU: 11583.9, 0.00314854/step Wall: 11583.9, 0.00314854/step, 1.16671 hours remaining, 236.675781 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: 3666000 4005.7493 20532.9812 14472.0761 264.7469 -203172.4405 2544.8406 0.0000 0.0000 52043.7669 -109308.2795 299.0962 -161352.0464 -108950.7895 300.3420 -1.0161 26.3044 762117.4547 -0.4486 -0.4888 PRESSURE: 3666200 167.163 27.2685 -194.32 27.2691 148.278 -110.755 -194.321 -110.757 105.036 GPRESSURE: 3666200 220.271 114.555 -216.4 35.2863 98.1225 -205.842 -233.567 32.5043 193.484 PRESSAVG: 3666200 -3.17701 -23.0161 -12.8468 -23.016 -0.524076 -27.2973 -12.8468 -27.2973 -8.45343 GPRESSAVG: 3666200 -4.41083 -26.1591 -13.9132 -20.3548 -0.462483 -26.0816 -11.3401 -25.3081 -7.63074 TIMING: 3666200 CPU: 11584.6, 0.00314988/step Wall: 11584.6, 0.00314988/step, 1.16703 hours remaining, 236.675781 MB of memory in use. ENERGY: 3666200 3951.0153 20499.3299 14321.4034 230.2807 -203312.0380 2719.5735 0.0000 0.0000 52296.0859 -109294.3493 300.5463 -161590.4352 -108930.1714 299.9717 140.1589 170.6256 759913.9911 -4.0515 -4.1680 PRESSURE: 3666400 -17.7819 150.115 -298.006 150.115 -332.985 41.0772 -298.006 41.0764 -106.909 GPRESSURE: 3666400 -52.1621 75.9367 -335.414 165.855 -268.52 -92.5087 -126.526 -9.20118 -72.3682 PRESSAVG: 3666400 39.6549 -3.79839 -55.356 -3.79842 -86.054 -11.2122 -55.3561 -11.2123 12.6095 GPRESSAVG: 3666400 38.8456 -2.17602 -56.8952 -6.31002 -85.8956 -12.4388 -55.3159 -13.2715 12.8626 TIMING: 3666400 CPU: 11585.2, 0.00317212/step Wall: 11585.2, 0.00317212/step, 1.17509 hours remaining, 236.675781 MB of memory in use. ENERGY: 3666400 3916.2250 20568.7463 14389.7760 242.7430 -202870.9574 2299.6724 0.0000 0.0000 51946.3478 -109507.4468 298.5364 -161453.7946 -109139.0235 299.2651 -152.5586 -131.0168 762345.6230 -11.2632 -11.3958 PRESSURE: 3666600 11.7542 -166.715 292.548 -166.716 213.368 -5.80634 292.548 -5.80614 40.5976 GPRESSURE: 3666600 77.0826 -137.009 253.069 -248.819 166.567 -50.3045 251.375 37.6288 101.6 PRESSAVG: 3666600 -9.60025 -30.3963 65.3698 -30.3963 -11.6074 -10.6448 65.3698 -10.6449 4.69073 GPRESSAVG: 3666600 -9.52363 -30.9489 66.4362 -31.8021 -10.2128 -10.0552 66.3107 -10.9772 3.86939 TIMING: 3666600 CPU: 11585.8, 0.00316112/step Wall: 11585.8, 0.00316112/step, 1.17084 hours remaining, 236.675781 MB of memory in use. ENERGY: 3666600 4043.7938 20586.9592 14332.2233 255.7655 -203463.4287 2865.2726 0.0000 0.0000 51916.5548 -109462.8596 298.3652 -161379.4143 -109107.7357 299.5350 88.5732 115.0832 762001.3281 -5.5056 -5.2890 PRESSURE: 3666800 -22.051 -97.4899 179.512 -97.4909 44.2848 -156.971 179.513 -156.97 226.001 GPRESSURE: 3666800 68.0747 -213.521 154.149 -164.974 79.8841 -118.434 177.683 -196.998 207.204 PRESSAVG: 3666800 -15.6633 -68.0565 23.7739 -68.0565 37.0546 14.4368 23.7739 14.4368 -4.87453 GPRESSAVG: 3666800 -15.0473 -67.1844 24.691 -67.4386 36.302 14.1627 21.9615 13.585 -4.49072 TIMING: 3666800 CPU: 11586.5, 0.00314773/step Wall: 11586.5, 0.00314773/step, 1.16571 hours remaining, 236.675781 MB of memory in use. ENERGY: 3666800 3970.2391 20436.1653 14381.3440 237.6822 -203256.7873 2507.0329 0.0000 0.0000 52151.1961 -109573.1277 299.7136 -161724.3238 -109210.6843 299.2110 82.7448 118.3874 760392.0847 5.5056 5.5880 PRESSURE: 3667000 -442.87 -134.926 -144.162 -134.926 301.508 73.8389 -144.163 73.8383 -106.296 GPRESSURE: 3667000 -390.228 -91.4678 -140.163 -44.4833 328.938 120.45 -241.138 70.2526 -96.8018 PRESSAVG: 3667000 -40.3761 11.4341 2.43029 11.434 6.14921 43.4822 2.43026 43.4822 -0.159252 GPRESSAVG: 3667000 -38.6331 10.6247 2.07361 11.2038 5.46605 44.0393 3.22415 43.0095 -0.911798 TIMING: 3667000 CPU: 11587.1, 0.00314299/step Wall: 11587.1, 0.00314299/step, 1.16378 hours remaining, 236.675781 MB of memory in use. ENERGY: 3667000 3999.2929 20621.1033 14320.2415 245.1552 -203097.5509 2400.7667 0.0000 0.0000 51911.3079 -109599.6835 298.3350 -161510.9914 -109242.2102 298.8820 -82.5525 -52.6970 759298.9016 -11.4620 -11.3596 PRESSURE: 3667200 85.7437 72.1155 -99.2474 72.1144 -153.092 36.1792 -99.2469 36.179 35.8052 GPRESSURE: 3667200 107.282 -89.9956 -113.022 -0.596428 -135.441 71.849 31.8593 -24.3705 82.7948 PRESSAVG: 3667200 19.7189 -37.4726 4.2916 -37.4726 -12.5191 -6.05238 4.29153 -6.05239 31.3423 GPRESSAVG: 3667200 19.9563 -37.3507 4.83104 -39.2848 -13.172 -6.48107 3.55803 -4.354 31.3755 TIMING: 3667200 CPU: 11587.7, 0.00314352/step Wall: 11587.7, 0.00314352/step, 1.1638 hours remaining, 236.675781 MB of memory in use. ENERGY: 3667200 3951.1737 20558.8061 14423.9429 226.9892 -203501.2094 2765.7929 0.0000 0.0000 51853.9877 -109720.5170 298.0056 -161574.5046 -109352.1002 299.0614 -10.5143 18.2118 760036.7727 12.8474 12.7199 PRESSURE: 3667400 114.257 -71.3824 213.723 -71.3827 144.921 70.9258 213.722 70.9252 -216.672 GPRESSURE: 3667400 104.546 -60.8972 231.452 -22.201 150.241 96.4527 228.748 88.5212 -139.576 PRESSAVG: 3667400 67.3658 11.3001 -2.24371 11.3001 -49.6258 14.856 -2.24368 14.8559 -10.4357 GPRESSAVG: 3667400 65.6428 12.7469 -2.04981 11.7459 -47.7596 14.4702 -1.17584 14.6596 -10.0424 TIMING: 3667400 CPU: 11588.4, 0.00314915/step Wall: 11588.4, 0.00314915/step, 1.16571 hours remaining, 236.675781 MB of memory in use. ENERGY: 3667400 3984.1060 20415.9448 14337.4818 236.1244 -203546.9001 2747.5399 0.0000 0.0000 51919.9039 -109905.7994 298.3844 -161825.7033 -109543.4578 298.6632 14.1687 38.4035 759575.7848 2.4348 2.6136 PRESSURE: 3667600 119.909 -86.0821 199.879 -86.0827 -385.526 2.94182 199.878 2.94122 236.601 GPRESSURE: 3667600 181.445 -93.7095 227.713 -107.212 -354.689 6.3668 39.4374 14.2976 263.109 PRESSAVG: 3667600 19.7602 4.07722 52.0743 4.07718 -3.62421 37.513 52.0743 37.513 -13.514 GPRESSAVG: 3667600 20.067 5.97487 51.8984 4.67424 -3.98575 38.4112 50.1317 37.5937 -13.1952 TIMING: 3667600 CPU: 11589, 0.00314397/step Wall: 11589, 0.00314397/step, 1.16362 hours remaining, 236.675781 MB of memory in use. ENERGY: 3667600 3956.2799 20437.3076 14425.2553 243.8377 -203524.6853 2598.9550 0.0000 0.0000 51964.7086 -109898.3412 298.6419 -161863.0498 -109525.7077 298.5820 -9.6722 29.9547 760162.9513 0.8740 0.9620 PRESSURE: 3667800 -371.799 -19.3449 -240.053 -19.3454 -395.025 -179.645 -240.053 -179.645 -797.187 GPRESSURE: 3667800 -333.298 -43.6204 -200.991 -142.606 -374.751 -98.8385 -76.757 -104.279 -751.935 PRESSAVG: 3667800 9.73466 7.23604 -2.50255 7.23595 -27.7784 19.5426 -2.50251 19.5425 8.59642 GPRESSAVG: 3667800 10.707 2.85561 -3.50818 8.05589 -27.9829 18.6005 -1.35531 18.5157 7.73419 TIMING: 3667800 CPU: 11589.6, 0.00315671/step Wall: 11589.6, 0.00315671/step, 1.16816 hours remaining, 236.675781 MB of memory in use. ENERGY: 3667800 4040.5034 20735.1093 14325.7614 256.6889 -203254.6066 2208.8096 0.0000 0.0000 51924.5237 -109763.2103 298.4110 -161687.7340 -109405.3638 298.8191 -521.3368 -486.6613 761747.0245 -3.1491 -3.1806 PRESSURE: 3668000 49.2358 -102.546 -38.1344 -102.546 173.279 62.2296 -38.1346 62.23 -260.601 GPRESSURE: 3668000 21.5628 -82.936 -23.3579 -10.7942 164.512 28.7201 16.4411 13.2116 -140.198 PRESSAVG: 3668000 -5.51524 -27.1013 11.1604 -27.1014 -17.1513 -3.62103 11.1605 -3.62096 1.54838 GPRESSAVG: 3668000 -6.53335 -26.1103 11.3477 -26.77 -17.6695 -2.95749 10.5867 -1.22091 3.43568 TIMING: 3668000 CPU: 11590.3, 0.00315541/step Wall: 11590.3, 0.00315541/step, 1.1675 hours remaining, 236.675781 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: 3668000 4006.5567 20541.7165 14412.6062 261.5636 -203551.4521 2700.7080 0.0000 0.0000 52013.5720 -109614.7292 298.9227 -161628.3011 -109255.6891 299.1165 -12.6954 15.2921 761958.8924 -7.0394 -6.9224 PRESSURE: 3668200 -245.733 220.046 58.8991 220.046 -320.374 152.181 58.8993 152.183 -507.415 GPRESSURE: 3668200 -196.061 136.026 43.6832 162.511 -347.853 187.501 134.549 182.815 -465.231 PRESSAVG: 3668200 -3.09421 -21.4765 -47.7539 -21.4766 36.0176 0.293882 -47.7539 0.293852 -3.7616 GPRESSAVG: 3668200 -3.08509 -19.7847 -48.7291 -23.225 37.2363 -0.441721 -45.2722 -0.529654 -5.08299 TIMING: 3668200 CPU: 11590.9, 0.0031397/step Wall: 11590.9, 0.0031397/step, 1.16151 hours remaining, 236.867188 MB of memory in use. ENERGY: 3668200 3984.3254 20522.7045 14458.4397 253.2008 -203045.5436 2398.1626 0.0000 0.0000 51906.4605 -109522.2502 298.3071 -161428.7106 -109164.6721 298.9777 -357.8405 -336.3814 763775.1619 9.7206 9.6894 LDB: ============= START OF LOAD BALANCING ============== 11603.4 LDB: ============== END OF LOAD BALANCING =============== 11603.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11603.4 LDB: ============= START OF LOAD BALANCING ============== 11603.7 LDB: Largest compute 7075 load 0.032164 is 16.4% of average load 0.195537 LDB: Average compute 0.004377 is 2.2% of average load 0.195537 LDB: TIME 11603.7 LOAD: AVG 0.195537 MAX 0.215572 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.168 MB LDB: TIME 11603.7 LOAD: AVG 0.195537 MAX 0.215572 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 11603.7 LOAD: AVG 0.195537 MAX 0.215572 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 11603.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11603.7 PRESSURE: 3668400 30.1928 -27.0326 -5.51658 -27.0331 -61.9993 -210.841 -5.51598 -210.841 -150.502 GPRESSURE: 3668400 55.8711 -95.6667 -83.3317 12.5114 -64.003 -123.658 98.6065 -91.6089 -63.9203 PRESSAVG: 3668400 -14.2445 31.6295 26.9873 31.6296 3.797 -54.3823 26.9873 -54.3823 -24.8192 GPRESSAVG: 3668400 -13.4417 28.2037 29.0648 32.5414 2.17295 -52.1588 25.693 -54.2626 -23.5114 TIMING: 3668400 CPU: 11591.5, 0.00323341/step Wall: 11591.5, 0.00323341/step, 1.196 hours remaining, 236.164062 MB of memory in use. ENERGY: 3668400 4019.2383 20523.5072 14503.3368 224.1166 -203400.8034 2728.1830 0.0000 0.0000 51737.2967 -109665.1248 297.3350 -161402.4215 -109312.1272 298.9123 -60.7695 -24.0174 762553.6050 -11.7556 -11.5934 PRESSURE: 3668600 7.75071 39.7305 -100.8 39.731 338.948 144.425 -100.8 144.425 -206.962 GPRESSURE: 3668600 52.554 -16.3861 -79.8658 147.746 338.313 83.3172 -180.839 151.016 -169.175 PRESSAVG: 3668600 17.8557 43.9908 -37.8955 43.9909 32.6955 -11.3176 -37.8955 -11.3177 -21.401 GPRESSAVG: 3668600 16.0023 47.5034 -38.9765 43.7055 34.3557 -12.532 -38.616 -13.2032 -20.9553 TIMING: 3668600 CPU: 11592.2, 0.00315048/step Wall: 11592.2, 0.00315048/step, 1.16515 hours remaining, 236.570312 MB of memory in use. ENERGY: 3668600 3973.0250 20566.0814 14434.8634 231.0524 -203594.7985 2815.1475 0.0000 0.0000 51808.0320 -109766.5967 297.7415 -161574.6288 -109401.7824 298.8458 46.5790 73.8975 760022.9371 9.7167 9.8009 PRESSURE: 3668800 -3.7039 -112.681 -152.56 -112.682 -234.704 138.352 -152.56 138.351 2.46721 GPRESSURE: 3668800 -61.5836 0.368504 -239.222 -30.4863 -171.645 182.982 -196.494 125.457 57.7455 PRESSAVG: 3668800 9.20543 1.43775 -8.9211 1.43779 8.53061 54.6656 -8.92107 54.6656 -24.102 GPRESSAVG: 3668800 9.97052 0.379026 -8.17492 0.627711 8.15499 53.8021 -10.2681 53.605 -24.7824 TIMING: 3668800 CPU: 11592.8, 0.00317378/step Wall: 11592.8, 0.00317378/step, 1.17359 hours remaining, 236.570312 MB of memory in use. ENERGY: 3668800 4039.5241 20496.2586 14463.4935 250.6039 -203611.3451 2801.8435 0.0000 0.0000 51896.0554 -109663.5661 298.2473 -161559.6215 -109303.4550 298.5589 -78.6468 -58.4945 761401.9004 -2.1220 -2.2190 PRESSURE: 3669000 -122.577 -12.3443 -13.5583 -12.345 -343.991 89.5463 -13.5589 89.5459 -337.946 GPRESSURE: 3669000 -137.837 18.7071 -22.9141 43.8613 -291.019 137.435 74.6635 198.38 -312.966 PRESSAVG: 3669000 -14.0303 -4.344 -38.7034 -4.34399 -24.0701 12.6437 -38.7035 12.6436 0.171274 GPRESSAVG: 3669000 -14.0593 -3.82142 -40.2325 -2.74671 -22.862 13.669 -36.7185 13.4893 -1.0338 TIMING: 3669000 CPU: 11593.4, 0.00314282/step Wall: 11593.4, 0.00314282/step, 1.16197 hours remaining, 236.628906 MB of memory in use. ENERGY: 3669000 4001.6127 20510.9646 14413.1967 240.7729 -203702.3830 2589.7503 0.0000 0.0000 52221.9774 -109724.1084 300.1204 -161946.0857 -109347.7386 298.9681 -268.1715 -247.2742 762496.3566 -12.6431 -12.6517 PRESSURE: 3669200 109.84 133.563 -188.752 133.563 -188.392 205.111 -188.752 205.11 257.037 GPRESSURE: 3669200 117.451 16.908 -136.695 45.2016 -87.1691 164.11 -223.408 211.11 237.362 PRESSAVG: 3669200 35.4255 -17.1375 -23.8619 -17.1375 -32.7903 -47.1688 -23.8619 -47.1689 26.6445 GPRESSAVG: 3669200 35.4587 -19.6087 -24.269 -19.8569 -32.7874 -47.5927 -25.0454 -45.4118 27.1428 TIMING: 3669200 CPU: 11594.1, 0.0031792/step Wall: 11594.1, 0.0031792/step, 1.17524 hours remaining, 236.628906 MB of memory in use. ENERGY: 3669200 4048.6322 20523.3343 14377.5560 239.4452 -203496.1470 2631.8248 0.0000 0.0000 51830.6360 -109844.7185 297.8714 -161675.3545 -109486.7833 298.5438 59.4949 89.2147 761091.0708 9.7599 9.9380 PRESSURE: 3669400 364.483 -26.5562 -19.7897 -26.5561 -211.136 -13.7421 -19.7887 -13.7424 -217.738 GPRESSURE: 3669400 351.641 -30.4824 -28.3761 -118.767 -150.662 0.83203 -0.0958842 37.2733 -169.399 PRESSAVG: 3669400 1.52872 -5.14419 34.3032 -5.1442 -34.823 -22.3143 34.3032 -22.3142 -3.87389 GPRESSAVG: 3669400 1.54003 -3.72314 33.2881 -3.7693 -34.8736 -21.2668 35.8917 -24.7983 -3.10444 TIMING: 3669400 CPU: 11594.7, 0.00315468/step Wall: 11594.7, 0.00315468/step, 1.16601 hours remaining, 236.628906 MB of memory in use. ENERGY: 3669400 4021.9172 20352.4764 14446.0396 235.7225 -203566.9574 2851.4078 0.0000 0.0000 51870.1442 -109789.2496 298.0984 -161659.3938 -109417.7131 298.0533 -21.4636 10.5266 762992.3742 -12.3894 -12.1460 PRESSURE: 3669600 98.7758 -123.167 -107.814 -123.167 266.716 -6.3055 -107.814 -6.30529 306.327 GPRESSURE: 3669600 309.778 -127.83 -84.1227 -157.593 287.254 -87.6798 -100.889 138.095 150.426 PRESSAVG: 3669600 -8.12952 1.14893 -5.14629 1.14892 -30.7795 -41.6328 -5.1463 -41.6328 31.5869 GPRESSAVG: 3669600 -7.5501 2.17012 -3.68489 2.00987 -30.3141 -43.3176 -6.96544 -39.9757 30.2643 TIMING: 3669600 CPU: 11595.3, 0.00316372/step Wall: 11595.3, 0.00316372/step, 1.16917 hours remaining, 236.628906 MB of memory in use. ENERGY: 3669600 4025.2308 20494.2686 14416.2160 241.6198 -203707.1024 2695.0892 0.0000 0.0000 52191.3309 -109643.3472 299.9443 -161834.6781 -109270.4336 298.4178 223.9397 249.1526 761411.7944 -2.4407 -2.5333 PRESSURE: 3669800 72.9421 66.4517 103.388 66.451 61.5647 -98.2018 103.388 -98.2023 -88.0425 GPRESSURE: 3669800 162.809 24.6233 26.6749 24.4772 48.522 -17.1234 78.9731 -20.7069 -88.1985 PRESSAVG: 3669800 26.2266 43.4239 30.5193 43.4239 -1.27107 -56.5563 30.5193 -56.5563 28.3012 GPRESSAVG: 3669800 25.5231 42.9917 27.6286 42.4962 -1.78734 -56.1702 35.1289 -55.7895 28.9761 TIMING: 3669800 CPU: 11596, 0.00316345/step Wall: 11596, 0.00316345/step, 1.16889 hours remaining, 236.628906 MB of memory in use. ENERGY: 3669800 3973.8819 20698.1697 14428.7601 249.9810 -203736.2660 2644.4252 0.0000 0.0000 52087.4321 -109653.6160 299.3472 -161741.0481 -109304.7640 299.3177 15.4881 41.0441 760718.2231 17.7522 17.5706 PRESSURE: 3670000 -88.713 87.6252 13.1245 87.6252 -39.3672 -49.5427 13.1242 -49.5427 -111.332 GPRESSURE: 3670000 -1.72019 26.5027 -25.979 41.3256 -10.1596 8.35549 -18.348 -94.8547 -126.985 PRESSAVG: 3670000 -12.9904 35.5697 -27.8525 35.5697 48.068 -8.64239 -27.8525 -8.64231 17.944 GPRESSAVG: 3670000 -12.594 34.5756 -26.561 36.2454 47.4559 -6.34672 -30.8215 -9.09675 18.0319 TIMING: 3670000 CPU: 11596.6, 0.00315536/step Wall: 11596.6, 0.00315536/step, 1.16573 hours remaining, 236.628906 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: 3670000 4013.8337 20451.9477 14397.6467 249.0043 -203342.6839 2437.2234 0.0000 0.0000 51924.9637 -109868.0643 298.4135 -161793.0280 -109511.8723 298.5818 -79.8042 -46.2882 760846.6613 17.6739 17.6313 PRESSURE: 3670200 -347.036 -78.9737 -307.922 -78.9728 549.857 -1.03659 -307.923 -1.03685 -25.8433 GPRESSURE: 3670200 -311.021 -88.4711 -420.107 15.3577 514.1 10.175 -282.058 -36.1975 75.3419 PRESSAVG: 3670200 5.87542 -21.7682 15.5689 -21.7682 -17.0457 -30.0029 15.5689 -30.003 0.942317 GPRESSAVG: 3670200 6.39738 -21.654 16.3815 -22.1902 -16.7537 -31.165 14.0983 -28.5974 0.523078 TIMING: 3670200 CPU: 11597.2, 0.00316881/step Wall: 11597.2, 0.00316881/step, 1.17052 hours remaining, 236.628906 MB of memory in use. ENERGY: 3670200 3995.5531 20551.8240 14439.9297 238.0159 -203330.5219 2416.7763 0.0000 0.0000 52029.8361 -109658.5867 299.0162 -161688.4228 -109305.5348 298.6907 58.9927 92.8072 761261.2211 -3.4093 -3.2777 PRESSURE: 3670400 -54.8815 -7.97192 73.9673 -7.97201 -208.409 -27.756 73.9672 -27.756 220.819 GPRESSURE: 3670400 -72.3174 25.5201 -8.08448 -19.8849 -102.418 -11.6121 109.399 -50.5964 221.832 PRESSAVG: 3670400 -5.3381 -19.0091 -12.8336 -19.0091 38.1913 9.92978 -12.8335 9.92974 -19.7515 GPRESSAVG: 3670400 -6.04877 -20.4296 -13.5699 -17.3643 38.5669 9.6284 -13.5404 8.57405 -19.2934 TIMING: 3670400 CPU: 11597.8, 0.00316732/step Wall: 11597.8, 0.00316732/step, 1.1698 hours remaining, 236.628906 MB of memory in use. ENERGY: 3670400 3906.9107 20516.0078 14462.2025 258.9410 -203224.6323 2527.2309 0.0000 0.0000 52062.1551 -109491.1843 299.2019 -161553.3394 -109135.7461 298.4885 -14.1569 15.6988 762235.8121 4.3672 4.4082 PRESSURE: 3670600 8.16486 13.0722 -37.1782 13.0717 452.964 133.634 -37.1785 133.634 157.625 GPRESSURE: 3670600 81.6805 88.9882 -0.191513 88.0541 385.987 123.536 -27.1384 20.9615 231.67 PRESSAVG: 3670600 -22.6576 33.5115 -28.1617 33.5115 34.4901 -7.9463 -28.1617 -7.94622 -14.1623 GPRESSAVG: 3670600 -22.4168 33.5822 -29.1686 33.6105 34.4064 -6.61527 -25.905 -7.35109 -14.5597 TIMING: 3670600 CPU: 11598.5, 0.00314642/step Wall: 11598.5, 0.00314642/step, 1.1619 hours remaining, 236.628906 MB of memory in use. ENERGY: 3670600 3903.9148 20376.6830 14455.6277 252.5248 -203009.9063 2467.7363 0.0000 0.0000 52119.1314 -109434.2883 299.5294 -161553.4198 -109062.7119 298.8846 206.2512 233.1124 762221.8154 -0.7766 -0.8567 PRESSURE: 3670800 -54.6609 186.272 -109.803 186.272 -21.5206 -165.558 -109.804 -165.559 174.064 GPRESSURE: 3670800 37.7102 160.645 -155.852 115.526 26.1123 -158.604 -37.7524 -101.874 116.146 PRESSAVG: 3670800 61.2838 29.614 9.84439 29.614 -88.5588 22.3315 9.8444 22.3315 20.2151 GPRESSAVG: 3670800 61.2241 34.2329 11.2035 24.6788 -88.2424 22.4829 8.80678 20.6114 20.1823 TIMING: 3670800 CPU: 11599.1, 0.00316019/step Wall: 11599.1, 0.00316019/step, 1.16681 hours remaining, 236.628906 MB of memory in use. ENERGY: 3670800 3932.7732 20560.6600 14447.9016 234.3512 -203325.2888 2845.6346 0.0000 0.0000 51847.4382 -109456.5301 297.9679 -161303.9683 -109101.4872 299.1220 32.6275 59.9896 762405.2065 -2.3533 -2.2787 PRESSURE: 3671000 -257.099 -60.4998 212.33 -60.5003 -347.104 30.9602 212.33 30.9604 115.08 GPRESSURE: 3671000 -218.008 -34.3416 224.303 -132.802 -305.834 73.1923 12.9328 78.6964 114.917 PRESSAVG: 3671000 1.73464 -9.28622 8.87758 -9.28617 4.60922 0.246866 8.87757 0.246854 4.33149 GPRESSAVG: 3671000 2.48354 -10.3123 8.14906 -7.18033 4.59829 -0.234995 7.46474 3.2149 3.20974 TIMING: 3671000 CPU: 11599.7, 0.00317656/step Wall: 11599.7, 0.00317656/step, 1.17268 hours remaining, 236.707031 MB of memory in use. ENERGY: 3671000 4041.6547 20568.6831 14403.1086 238.9358 -202864.4934 2249.5718 0.0000 0.0000 51890.1602 -109472.3792 298.2135 -161362.5394 -109114.0766 298.9323 -163.0414 -136.3085 762295.3770 3.5584 3.4305 PRESSURE: 3671200 -140.355 -12.4338 -109.79 -12.433 -220.544 -179.114 -109.791 -179.115 202.124 GPRESSURE: 3671200 -34.8602 13.3135 -216.762 -20.8581 -214.692 -185.101 -46.4367 -209.665 183.866 PRESSAVG: 3671200 63.9709 -33.2728 16.5593 -33.2728 -26.6773 -29.5721 16.5592 -29.572 0.379164 GPRESSAVG: 3671200 64.0021 -33.8098 18.2423 -32.284 -26.3697 -28.7307 18.2209 -31.7772 0.573468 TIMING: 3671200 CPU: 11600.4, 0.00317215/step Wall: 11600.4, 0.00317215/step, 1.17088 hours remaining, 236.707031 MB of memory in use. ENERGY: 3671200 4020.2542 20379.1158 14456.3451 247.8206 -203014.1783 2497.1123 0.0000 0.0000 51975.5227 -109438.0076 298.7040 -161413.5303 -109086.2080 298.8277 -52.9250 -21.8954 760871.1814 12.5576 12.7353 PRESSURE: 3671400 85.9486 14.9817 -324.805 14.9809 16.481 130.099 -324.806 130.098 -533.886 GPRESSURE: 3671400 196.931 95.7072 -306.986 105.204 -53.2248 133.405 -248.402 49.5868 -496.497 PRESSAVG: 3671400 17.8732 -16.8421 33.6776 -16.8422 3.94525 -50.8226 33.6775 -50.8225 7.57261 GPRESSAVG: 3671400 19.0493 -16.5659 31.7054 -15.7853 3.66568 -51.6994 34.83 -51.7082 7.06582 TIMING: 3671400 CPU: 11601, 0.00314693/step Wall: 11601, 0.00314693/step, 1.16139 hours remaining, 236.707031 MB of memory in use. ENERGY: 3671400 3977.3018 20483.2155 14458.9360 257.4340 -203033.9229 2594.6756 0.0000 0.0000 51904.7537 -109357.6064 298.2973 -161262.3601 -108992.4663 299.0453 -143.8187 -117.5971 762127.9586 9.7970 9.9269 PRESSURE: 3671600 -92.8099 -180.153 209.024 -180.153 -334.709 -148.978 209.024 -148.978 382.228 GPRESSURE: 3671600 -101.091 -115.076 133.051 -158.321 -283.042 -57.7831 69.0677 -58.6222 428.023 PRESSAVG: 3671600 5.78193 -14.405 32.5279 -14.4051 -54.3781 -67.3829 32.5279 -67.383 -16.4088 GPRESSAVG: 3671600 5.27089 -15.2398 35.9602 -13.9424 -54.3435 -66.7588 31.0726 -64.147 -15.688 TIMING: 3671600 CPU: 11601.6, 0.00316892/step Wall: 11601.6, 0.00316892/step, 1.16933 hours remaining, 236.707031 MB of memory in use. ENERGY: 3671600 4009.8145 20411.6225 14407.7743 242.3029 -203133.0498 2676.3420 0.0000 0.0000 51980.6551 -109404.5384 298.7335 -161385.1936 -109042.6360 298.7190 -15.0971 14.6300 761614.9263 -21.6683 -21.5869 PRESSURE: 3671800 -88.9883 -16.1307 -58.4233 -16.1304 55.4943 294.976 -58.4232 294.976 240.154 GPRESSURE: 3671800 -27.6696 7.60428 -63.8137 -29.2789 86.2509 268.557 37.8589 125.461 223.287 PRESSAVG: 3671800 22.0423 -9.27674 16.1547 -9.27673 -71.4708 -46.7217 16.1547 -46.7218 26.8399 GPRESSAVG: 3671800 20.438 -9.31302 13.2124 -10.5617 -70.4385 -45.7893 15.2796 -48.184 26.9946 TIMING: 3671800 CPU: 11602.3, 0.0031607/step Wall: 11602.3, 0.0031607/step, 1.16612 hours remaining, 236.707031 MB of memory in use. ENERGY: 3671800 3965.4588 20438.9280 14375.4819 251.3784 -202928.2604 2353.1735 0.0000 0.0000 52194.6345 -109349.2054 299.9633 -161543.8399 -108974.0154 299.0243 68.8866 93.9561 760279.0378 -7.5295 -7.6686 PRESSURE: 3672000 -436.098 -33.8206 62.306 -33.8206 -444.533 -164.998 62.3058 -164.998 -371.53 GPRESSURE: 3672000 -315.639 109.862 57.1603 63.1037 -575.389 -152.472 88.1464 -46.4083 -291.378 PRESSAVG: 3672000 40.983 -38.364 16.2589 -38.364 -66.9999 -28.6147 16.2588 -28.6147 0.592588 GPRESSAVG: 3672000 42.4333 -38.1951 16.5966 -37.8134 -68.7437 -29.6094 18.6158 -28.5746 0.761587 TIMING: 3672000 CPU: 11602.9, 0.00315207/step Wall: 11602.9, 0.00315207/step, 1.16276 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: 3672000 4029.0519 20513.9195 14353.4840 245.5947 -202660.4309 2032.7843 0.0000 0.0000 52231.7030 -109253.8934 300.1763 -161485.5965 -108884.3151 299.3720 -417.3869 -394.1355 762577.0761 -8.4748 -8.5163 PRESSURE: 3672200 -233.412 15.0273 34.6081 15.0273 -76.0057 138.52 34.6082 138.519 -183.658 GPRESSURE: 3672200 -170.419 -66.0031 39.4804 -106.197 -44.6699 62.8003 83.3369 246.175 -196.134 PRESSAVG: 3672200 62.6997 -33.4262 5.65272 -33.4262 -14.2501 -10.3845 5.65278 -10.3845 -15.9591 GPRESSAVG: 3672200 61.066 -33.2527 5.06751 -34.2737 -12.8782 -11.2447 5.01905 -9.07774 -16.17 TIMING: 3672200 CPU: 11603.5, 0.00316536/step Wall: 11603.5, 0.00316536/step, 1.16749 hours remaining, 236.707031 MB of memory in use. ENERGY: 3672200 3953.3261 20611.1129 14342.5781 250.0010 -203028.6409 2347.3375 0.0000 0.0000 52172.6490 -109351.6362 299.8369 -161524.2852 -108991.8270 299.5174 -164.3584 -137.0740 760214.4685 10.8302 10.6726 LDB: ============= START OF LOAD BALANCING ============== 11616.1 LDB: ============== END OF LOAD BALANCING =============== 11616.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11616.1 LDB: ============= START OF LOAD BALANCING ============== 11616.4 LDB: Largest compute 7075 load 0.031553 is 16.1% of average load 0.195739 LDB: Average compute 0.004356 is 2.2% of average load 0.195739 LDB: TIME 11616.4 LOAD: AVG 0.195739 MAX 0.213984 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 11616.4 LOAD: AVG 0.195739 MAX 0.213984 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 11616.4 LOAD: AVG 0.195739 MAX 0.213984 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 11616.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11616.4 PRESSURE: 3672400 -161.757 -227.097 -33.9224 -227.096 -149.659 -64.5076 -33.9223 -64.5074 130.211 GPRESSURE: 3672400 -119.21 -114.795 -31.9 -284.156 -130.292 -68.78 -32.7909 -50.1491 147.859 PRESSAVG: 3672400 -7.13199 -32.9671 -11.2076 -32.967 -17.9339 -5.16788 -11.2076 -5.16791 3.21068 GPRESSAVG: 3672400 -6.27974 -33.8778 -10.9985 -32.4246 -18.3254 -5.66143 -11.0197 -4.90313 2.93674 TIMING: 3672400 CPU: 11604.2, 0.00324246/step Wall: 11604.2, 0.00324246/step, 1.19575 hours remaining, 236.218750 MB of memory in use. ENERGY: 3672400 3985.9352 20648.2114 14424.2639 239.9068 -202783.6089 2131.6384 0.0000 0.0000 52080.5104 -109273.1428 299.3074 -161353.6532 -108906.6058 299.4841 -60.4016 -33.8809 762306.8898 -7.2851 -7.2228 PRESSURE: 3672600 -98.5855 -166.799 9.65963 -166.799 -90.1414 -78.8777 9.65941 -78.8779 0.353127 GPRESSURE: 3672600 -33.9305 -79.9138 68.6375 -256.341 -109.695 -51.4456 -35.0044 -123.404 22.8867 PRESSAVG: 3672600 17.5809 -49.0375 -23.5577 -49.0375 3.72864 -7.34171 -23.5577 -7.34173 1.6439 GPRESSAVG: 3672600 17.3129 -48.0981 -23.3208 -49.1126 3.6973 -7.67448 -23.8824 -7.35928 1.37598 TIMING: 3672600 CPU: 11604.8, 0.00313871/step Wall: 11604.8, 0.00313871/step, 1.15731 hours remaining, 236.289062 MB of memory in use. ENERGY: 3672600 4011.8986 20589.9195 14413.9623 234.3959 -202952.4211 2182.3385 0.0000 0.0000 52116.3553 -109403.5511 299.5134 -161519.9064 -109040.9688 300.0264 -62.7912 -40.2462 760405.8864 7.6512 7.4621 PRESSURE: 3672800 230.903 7.36482 -92.8293 7.36434 239.42 241.756 -92.8293 241.755 -335.873 GPRESSURE: 3672800 215.536 60.5544 -14.6418 -75.6351 297.504 178.929 -122.14 221.182 -306.761 PRESSAVG: 3672800 -16.1636 -53.7407 -19.8428 -53.7407 27.6269 9.76263 -19.8428 9.76255 -9.06826 GPRESSAVG: 3672800 -15.8478 -53.5883 -20.3171 -53.0975 27.6379 11.996 -18.7465 10.9064 -9.52196 TIMING: 3672800 CPU: 11605.4, 0.00315394/step Wall: 11605.4, 0.00315394/step, 1.16275 hours remaining, 236.289062 MB of memory in use. ENERGY: 3672800 3987.1036 20438.1458 14481.5805 262.1615 -203233.1152 2356.9283 0.0000 0.0000 52139.4961 -109567.6993 299.6464 -161707.1954 -109194.3733 299.3765 44.8168 68.7598 759881.1125 0.7983 0.7561 PRESSURE: 3673000 -227.939 17.2182 -62.4479 17.2194 -277.396 -85.1385 -62.4489 -85.1391 -27.8376 GPRESSURE: 3673000 -109.498 -4.13452 -127.525 -3.44002 -277.486 -158.43 88.7743 -75.473 -71.1389 PRESSAVG: 3673000 -45.9814 -91.2735 -29.3785 -91.2736 23.6858 16.4709 -29.3785 16.4709 -13.2171 GPRESSAVG: 3673000 -46.5125 -90.5875 -30.4243 -93.7447 24.7806 14.3123 -29.6239 15.7982 -13.6125 TIMING: 3673000 CPU: 11606.1, 0.00316193/step Wall: 11606.1, 0.00316193/step, 1.16552 hours remaining, 236.289062 MB of memory in use. ENERGY: 3673000 3980.4848 20527.4690 14424.6955 212.1337 -203209.2021 2216.0737 0.0000 0.0000 52253.8800 -109594.4653 300.3038 -161848.3453 -109237.8037 298.9586 -177.7242 -152.7075 760270.9066 -11.8376 -11.7815 PRESSURE: 3673200 270.993 -113.267 128.589 -113.267 200.773 196.437 128.59 196.437 279.387 GPRESSURE: 3673200 356.647 -122.988 89.9409 -175.856 147.203 109.812 127.693 230.945 333.514 PRESSAVG: 3673200 23.8616 -30.2158 22.7736 -30.2158 10.0228 12.0037 22.7736 12.0036 -2.43227 GPRESSAVG: 3673200 23.6905 -30.3202 23.8478 -29.9141 8.48509 12.0614 24.6391 11.7296 -1.05483 TIMING: 3673200 CPU: 11606.7, 0.0031583/step Wall: 11606.7, 0.0031583/step, 1.16401 hours remaining, 236.289062 MB of memory in use. ENERGY: 3673200 3965.1366 20374.6598 14354.2202 250.5409 -203542.4343 2783.6106 0.0000 0.0000 52187.0822 -109627.1841 299.9199 -161814.2662 -109265.4569 298.9529 250.3844 279.1217 759652.1602 10.4840 10.3736 PRESSURE: 3673400 60.3882 41.4239 -10.6643 41.4237 49.1864 -87.4992 -10.6647 -87.4992 36.9117 GPRESSURE: 3673400 146.002 50.1135 116.384 75.6694 21.7508 -73.6739 -3.86116 139.209 78.6238 PRESSAVG: 3673400 42.5892 -39.9049 -5.29083 -39.905 -32.5073 22.6719 -5.29079 22.6719 6.67257 GPRESSAVG: 3673400 42.788 -39.4501 -5.6081 -38.7821 -31.8209 24.1297 -6.92801 22.7444 5.98634 TIMING: 3673400 CPU: 11607.3, 0.00315116/step Wall: 11607.3, 0.00315116/step, 1.1612 hours remaining, 236.289062 MB of memory in use. ENERGY: 3673400 3909.3934 20551.4790 14495.2570 253.7316 -203089.4895 2326.2738 0.0000 0.0000 52112.4466 -109440.9081 299.4909 -161553.3547 -109087.8641 299.1369 48.8288 82.1257 760053.3109 5.5848 5.6512 PRESSURE: 3673600 59.357 -341.359 -149.505 -341.359 226.721 16.4518 -149.504 16.4501 -361.47 GPRESSURE: 3673600 0.392756 -268.703 -11.755 -320.556 257.436 16.7191 -236.28 29.533 -247.97 PRESSAVG: 3673600 -2.04806 -45.5532 58.6346 -45.5532 -11.189 15.2261 58.6346 15.2261 0.438635 GPRESSAVG: 3673600 -1.51184 -47.599 60.0814 -44.9684 -12.0562 12.7925 55.4859 17.4039 0.56614 TIMING: 3673600 CPU: 11608, 0.00315711/step Wall: 11608, 0.00315711/step, 1.16322 hours remaining, 236.277344 MB of memory in use. ENERGY: 3673600 3951.5472 20500.5334 14418.9424 240.4268 -203157.9362 2594.8897 0.0000 0.0000 51783.0424 -109668.5542 297.5979 -161451.5966 -109308.9489 298.6248 -25.1307 3.2861 760216.4117 -4.2661 -4.3340 PRESSURE: 3673800 -216.456 283.86 3.74577 283.86 -447.171 270.955 3.74586 270.954 -452.508 GPRESSURE: 3673800 -233.669 114.148 1.97906 228.921 -270.09 275.983 -3.29876 212.038 -497.074 PRESSAVG: 3673800 8.80128 -93.6327 -4.24308 -93.6327 6.03785 1.29629 -4.24305 1.2963 3.77401 GPRESSAVG: 3673800 8.01724 -94.0029 -6.10594 -95.2631 6.38597 3.66573 -2.07817 -0.512128 3.74549 TIMING: 3673800 CPU: 11608.6, 0.00317288/step Wall: 11608.6, 0.00317288/step, 1.16885 hours remaining, 236.277344 MB of memory in use. ENERGY: 3673800 4037.5466 20347.8263 14478.5279 256.0958 -202796.0582 2090.5739 0.0000 0.0000 51869.1409 -109716.3467 298.0927 -161585.4877 -109349.3002 298.4962 -372.0451 -333.6110 763034.3493 6.2044 6.0496 PRESSURE: 3674000 282.014 -37.6629 -247.646 -37.663 114.146 -151.99 -247.646 -151.99 292.467 GPRESSURE: 3674000 309.638 52.6199 -165.893 -20.3646 254.165 -156.952 -252.734 -123.109 223.159 PRESSAVG: 3674000 -22.8975 -11.9948 26.2161 -11.9948 18.8738 21.0802 26.2162 21.0803 6.43831 GPRESSAVG: 3674000 -25.1874 -13.0209 26.4991 -9.1136 20.9975 20.0736 25.9551 20.0421 6.67419 TIMING: 3674000 CPU: 11609.2, 0.00316397/step Wall: 11609.2, 0.00316397/step, 1.1654 hours remaining, 236.492188 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: 3674000 3940.9341 20396.7084 14367.9750 243.1684 -203465.9721 2870.9431 0.0000 0.0000 51968.2785 -109677.9644 298.6624 -161646.2430 -109320.3657 298.1524 229.5419 262.3204 762491.5092 0.8049 0.8281 PRESSURE: 3674200 -37.4562 110.641 -34.9967 110.641 -217.505 139.765 -34.9965 139.765 -259.694 GPRESSURE: 3674200 -65.7226 61.5957 29.3642 46.7541 -78.5653 188.825 -50.4136 103.504 -289.609 PRESSAVG: 3674200 11.8902 -51.6178 11.306 -51.6177 -24.8603 -19.5302 11.3059 -19.5301 2.34751 GPRESSAVG: 3674200 13.1012 -50.5523 11.4698 -54.5725 -25.8712 -17.8623 10.8945 -20.1854 2.28804 TIMING: 3674200 CPU: 11609.9, 0.00315339/step Wall: 11609.9, 0.00315339/step, 1.16132 hours remaining, 236.492188 MB of memory in use. ENERGY: 3674200 3993.1560 20526.9094 14384.7023 228.7773 -202831.6107 2309.8025 0.0000 0.0000 51999.9813 -109388.2819 298.8446 -161388.2632 -109027.6566 298.9228 -171.5519 -144.6322 763763.1382 -3.5409 -3.4940 PRESSURE: 3674400 -644.052 -84.3625 261.943 -84.363 -40.8876 8.61275 261.943 8.6127 -538.887 GPRESSURE: 3674400 -557.806 -116.778 191.241 -166.245 -73.5688 19.1435 213.717 -97.1994 -512.767 PRESSAVG: 3674400 -30.083 -7.48071 -22.2597 -7.48075 22.0921 -2.44434 -22.2598 -2.44441 1.93519 GPRESSAVG: 3674400 -29.945 -6.7782 -22.3433 -7.255 21.5544 -4.07527 -21.4462 -2.54135 2.78588 TIMING: 3674400 CPU: 11610.5, 0.00317876/step Wall: 11610.5, 0.00317876/step, 1.17049 hours remaining, 236.492188 MB of memory in use. ENERGY: 3674400 3930.3900 20407.1308 14520.6783 247.6828 -202989.7209 2428.3442 0.0000 0.0000 52059.9128 -109395.5820 299.1890 -161455.4949 -109032.3172 299.0825 -407.9421 -381.3805 764547.5300 -2.0186 -1.8683 PRESSURE: 3674600 -150.669 7.13078 231.617 7.13159 -228.795 30.8046 231.617 30.8044 222.76 GPRESSURE: 3674600 13.61 168.948 201.355 94.9652 -222.497 34.6014 174.772 61.3798 127.87 PRESSAVG: 3674600 28.1175 -17.5496 7.79839 -17.5496 -24.267 8.94405 7.79842 8.944 0.283234 GPRESSAVG: 3674600 28.4357 -17.357 9.23002 -18.6371 -23.6869 9.55318 6.79954 11.0265 -0.281581 TIMING: 3674600 CPU: 11611.1, 0.00316597/step Wall: 11611.1, 0.00316597/step, 1.1656 hours remaining, 236.546875 MB of memory in use. ENERGY: 3674600 4030.2066 20528.1034 14420.3230 243.0222 -203074.7997 2645.4083 0.0000 0.0000 51997.7987 -109209.9373 298.8321 -161207.7360 -108853.0132 299.1825 -52.2345 -27.0059 763814.1595 1.3779 1.4891 PRESSURE: 3674800 84.8411 -236.826 255.123 -236.825 355.128 230.001 255.123 230.002 -281.809 GPRESSURE: 3674800 146.569 -192.908 179.565 -184.625 373.725 212.309 234.189 168.08 -282.768 PRESSAVG: 3674800 44.2065 -1.20345 30.9854 -1.2035 -95.5994 33.6044 30.9854 33.6043 -6.77822 GPRESSAVG: 3674800 44.5929 -2.20005 30.6786 1.11682 -96.3139 34.5072 32.5213 33.2008 -6.6346 TIMING: 3674800 CPU: 11611.8, 0.00315363/step Wall: 11611.8, 0.00315363/step, 1.16089 hours remaining, 236.546875 MB of memory in use. ENERGY: 3674800 4021.2798 20602.6385 14393.7518 234.7096 -203136.4151 2656.2714 0.0000 0.0000 52168.1492 -109059.6147 299.8111 -161227.7640 -108702.6722 300.0183 52.7201 79.1752 763940.8418 -19.3904 -19.4519 PRESSURE: 3675000 -218.289 -26.3106 -134.886 -26.3104 -368.544 44.5102 -134.886 44.5108 -128.786 GPRESSURE: 3675000 -292.888 -66.4727 -83.5144 0.253065 -214.409 59.4554 -19.304 15.8949 -95.595 PRESSAVG: 3675000 -0.965202 15.9568 0.99038 15.9568 5.9679 34.3168 0.990421 34.3167 -25.4358 GPRESSAVG: 3675000 -2.36781 16.6971 1.191 16.9234 7.06277 33.2163 0.434102 34.6761 -24.9149 TIMING: 3675000 CPU: 11612.4, 0.0031576/step Wall: 11612.4, 0.0031576/step, 1.16217 hours remaining, 236.558594 MB of memory in use. ENERGY: 3675000 3997.0031 20462.4387 14428.9725 265.5082 -202712.6476 2406.6919 0.0000 0.0000 52071.5512 -109080.4820 299.2559 -161152.0332 -108717.3120 299.8410 -238.5399 -200.9639 765590.2159 -6.8110 -6.7400 PRESSURE: 3675200 155.296 140.405 96.5066 140.405 -75.9838 -0.00435206 96.5068 -0.00488924 -45.0736 GPRESSURE: 3675200 296.384 39.2244 42.9247 181.514 -109.192 -26.3785 120.098 56.1776 -66.3572 PRESSAVG: 3675200 -19.7223 8.20389 -12.7543 8.20395 45.7447 -0.904467 -12.7543 -0.904396 -25.8631 GPRESSAVG: 3675200 -18.5571 7.91848 -14.2988 6.15549 45.1204 -1.2926 -10.9593 -0.917284 -26.0237 TIMING: 3675200 CPU: 11613, 0.00314726/step Wall: 11613, 0.00314726/step, 1.15819 hours remaining, 236.558594 MB of memory in use. ENERGY: 3675200 4029.3009 20639.1748 14456.0505 243.1883 -202979.0293 2427.7982 0.0000 0.0000 52050.5159 -109133.0007 299.1350 -161183.5166 -108772.4340 299.8983 11.4128 40.2783 760690.7563 0.0531 0.1799 PRESSURE: 3675400 -118.81 -28.4566 -108.884 -28.4568 -67.5534 0.292688 -108.883 0.292962 77.6948 GPRESSURE: 3675400 -63.6236 -189.987 -78.3931 61.638 21.538 -96.4238 -83.9439 4.54953 18.6875 PRESSAVG: 3675400 49.4161 16.4893 17.3893 16.4893 -18.9457 4.27305 17.3893 4.27319 2.55134 GPRESSAVG: 3675400 49.0157 16.7088 17.1983 15.8779 -19.2665 4.67192 16.5119 2.24672 3.07507 TIMING: 3675400 CPU: 11613.7, 0.00313907/step Wall: 11613.7, 0.00313907/step, 1.155 hours remaining, 236.558594 MB of memory in use. ENERGY: 3675400 3964.9961 20600.4316 14415.4876 257.2570 -202683.7092 2455.0520 0.0000 0.0000 51912.9612 -109077.5236 298.3445 -160990.4848 -108730.3483 299.4337 -36.2228 -7.7993 763191.7930 11.0072 10.9414 PRESSURE: 3675600 -4.85162 -137.282 -93.217 -137.282 29.649 19.925 -93.2167 19.9241 165.909 GPRESSURE: 3675600 79.5848 -78.9824 -198.505 -99.6133 82.0258 20.2345 -85.4503 82.0629 109.437 PRESSAVG: 3675600 8.93166 -35.5958 -12.9181 -35.5958 -36.6198 41.4388 -12.9181 41.4388 -6.98368 GPRESSAVG: 3675600 9.39035 -36.8998 -12.6789 -35.291 -35.5728 42.4477 -14.661 42.6912 -8.09188 TIMING: 3675600 CPU: 11614.3, 0.0031344/step Wall: 11614.3, 0.0031344/step, 1.15311 hours remaining, 236.558594 MB of memory in use. ENERGY: 3675600 4089.1095 20510.2392 14434.1358 249.3264 -202998.7240 2491.2164 0.0000 0.0000 51977.7423 -109246.9544 298.7168 -161224.6967 -108888.1282 299.5122 63.5687 90.3492 763054.1878 -11.5573 -11.4248 PRESSURE: 3675800 -144.712 9.71968 -123.21 9.71931 -67.5442 91.9755 -123.21 91.9763 -422.056 GPRESSURE: 3675800 -107.03 -59.4038 -171.818 -51.8302 -62.9235 129.059 -119.297 143.604 -377.443 PRESSAVG: 3675800 23.5047 -44.0453 -12.6501 -44.0453 -43.1174 68.3098 -12.6501 68.3098 -4.58341 GPRESSAVG: 3675800 22.6882 -45.0018 -12.8415 -43.7796 -43.2152 67.8892 -10.9252 68.656 -2.89959 TIMING: 3675800 CPU: 11614.9, 0.00315845/step Wall: 11614.9, 0.00315845/step, 1.16178 hours remaining, 236.558594 MB of memory in use. ENERGY: 3675800 3992.3616 20614.9893 14445.1697 235.3827 -203112.1598 2263.2650 0.0000 0.0000 52165.8733 -109395.1181 299.7980 -161560.9914 -109048.0283 299.5361 -211.4375 -182.4657 760613.1386 -8.0654 -7.8088 PRESSURE: 3676000 -193.765 127.964 -59.4071 127.963 33.2423 -108.964 -59.4078 -108.964 -152.534 GPRESSURE: 3676000 -151.353 177.657 -103.859 99.0432 9.66264 -88.0504 -9.29476 -179.285 -81.9047 PRESSAVG: 3676000 -24.7847 -56.0944 -23.3625 -56.0944 -12.9473 3.85317 -23.3625 3.8532 -22.7879 GPRESSAVG: 3676000 -23.648 -52.6298 -23.1505 -56.8164 -12.8053 3.77547 -23.9043 3.44018 -23.4671 TIMING: 3676000 CPU: 11615.6, 0.00316647/step Wall: 11615.6, 0.00316647/step, 1.16456 hours remaining, 236.558594 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: 3676000 4017.4182 20361.5479 14460.3386 253.4103 -203173.2973 2649.6809 0.0000 0.0000 51969.2917 -109461.6098 298.6682 -161430.9015 -109104.8228 299.2205 -104.3522 -74.5317 762995.4065 -20.1733 -19.9734 PRESSURE: 3676200 19.7731 -190.185 137.542 -190.185 252.718 -125.102 137.542 -125.101 388.93 GPRESSURE: 3676200 37.5139 -139.136 176.554 -16.323 298.84 -185.095 292.723 1.80405 406.428 PRESSAVG: 3676200 8.57027 8.89109 29.1982 8.89106 -6.18107 -6.77436 29.1982 -6.77433 -6.62664 GPRESSAVG: 3676200 7.50978 9.93878 30.2555 10.4649 -5.7197 -5.41051 29.5738 -8.64123 -6.62818 TIMING: 3676200 CPU: 11616.2, 0.00316166/step Wall: 11616.2, 0.00316166/step, 1.16261 hours remaining, 236.558594 MB of memory in use. ENERGY: 3676200 3989.2831 20482.9780 14366.0450 254.2333 -203773.3717 2940.6356 0.0000 0.0000 52201.5332 -109538.6635 300.0029 -161740.1967 -109179.5747 299.2717 220.4736 247.5940 760619.8910 -1.4125 -1.6127 LDB: ============= START OF LOAD BALANCING ============== 11628.7 LDB: ============== END OF LOAD BALANCING =============== 11628.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11628.7 LDB: ============= START OF LOAD BALANCING ============== 11629 LDB: Largest compute 7026 load 0.031088 is 15.9% of average load 0.195678 LDB: Average compute 0.004368 is 2.2% of average load 0.195678 LDB: TIME 11629 LOAD: AVG 0.195678 MAX 0.215115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.871 MB LDB: TIME 11629 LOAD: AVG 0.195678 MAX 0.215115 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.109 MB LDB: TIME 11629 LOAD: AVG 0.195678 MAX 0.215115 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.109 MB LDB: ============== END OF LOAD BALANCING =============== 11629 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11629 PRESSURE: 3676400 185.211 329.267 28.93 329.268 -142.151 -97.9253 28.931 -97.9252 322.821 GPRESSURE: 3676400 203.715 223.89 124.52 232.111 -6.09411 -80.1167 -166.048 1.48326 258.035 PRESSAVG: 3676400 35.5016 -7.72266 -25.3485 -7.72259 -22.637 17.8105 -25.3485 17.8105 2.93816 GPRESSAVG: 3676400 37.2952 -9.47473 -25.6429 -9.2074 -22.46 15.7558 -25.1722 20.4005 1.7963 TIMING: 3676400 CPU: 11616.8, 0.00321449/step Wall: 11616.8, 0.00321449/step, 1.18186 hours remaining, 235.453125 MB of memory in use. ENERGY: 3676400 4001.6997 20604.4600 14416.9332 252.4434 -203534.3099 2664.9271 0.0000 0.0000 51957.6531 -109636.1933 298.6013 -161593.8464 -109274.6646 298.8756 121.9603 151.8852 759679.7245 5.2676 5.5438 PRESSURE: 3676600 -108.582 22.2129 52.2468 22.2123 94.129 190.271 52.2465 190.271 171.123 GPRESSURE: 3676600 -28.388 -56.0801 77.4768 2.41443 112.904 103.921 23.5155 277.347 153.365 PRESSAVG: 3676600 -14.3265 -50.2674 -7.49787 -50.2674 -3.73846 29.2677 -7.49787 29.2677 7.75056 GPRESSAVG: 3676600 -15.6898 -52.426 -7.54708 -47.9792 -3.5436 29.4662 -7.00377 31.8755 8.48815 TIMING: 3676600 CPU: 11617.5, 0.00316104/step Wall: 11617.5, 0.00316104/step, 1.16203 hours remaining, 235.656250 MB of memory in use. ENERGY: 3676600 3923.9549 20580.6635 14408.7774 246.9612 -203481.8247 2643.5016 0.0000 0.0000 52236.1432 -109441.8228 300.2018 -161677.9660 -109072.5405 299.2144 52.2232 79.2934 761102.9954 -3.4381 -3.5817 PRESSURE: 3676800 -142.261 178.465 -137.709 178.465 -203.839 -346.344 -137.708 -346.344 -381.487 GPRESSURE: 3676800 -68.2904 88.9488 -163.588 201.298 -186.356 -294.532 -84.1038 -329.279 -385.692 PRESSAVG: 3676800 -23.5659 -5.197 31.5149 -5.19701 0.926541 17.7533 31.5149 17.7533 3.39628 GPRESSAVG: 3676800 -23.7105 -4.47169 30.7139 -7.05791 0.632333 20.029 29.9849 14.8801 3.42599 TIMING: 3676800 CPU: 11618.1, 0.0031574/step Wall: 11618.1, 0.0031574/step, 1.16052 hours remaining, 235.656250 MB of memory in use. ENERGY: 3676800 4005.3125 20641.9056 14414.3434 256.5237 -203056.3011 2187.4911 0.0000 0.0000 51955.7175 -109595.0071 298.5902 -161550.7247 -109237.3294 299.2305 -242.5288 -213.4462 761829.1724 -6.4143 -6.5507 PRESSURE: 3677000 -187.247 -46.6 -238.051 -46.6004 -50.399 83.873 -238.052 83.8728 -216.097 GPRESSURE: 3677000 -208.796 -36.4823 -334.23 -99.3943 -30.7172 126.976 -193.596 111.984 -123.064 PRESSAVG: 3677000 -49.7734 6.62763 -22.054 6.62759 67.489 -21.4938 -22.054 -21.4938 -8.04201 GPRESSAVG: 3677000 -49.4726 7.62074 -21.2973 6.5714 67.608 -22.5447 -22.4105 -20.617 -8.44483 TIMING: 3677000 CPU: 11618.7, 0.00315858/step Wall: 11618.7, 0.00315858/step, 1.16078 hours remaining, 235.656250 MB of memory in use. ENERGY: 3677000 4045.6515 20521.2775 14449.5028 254.8121 -203444.7439 2510.7479 0.0000 0.0000 52135.0489 -109527.7032 299.6208 -161662.7522 -109170.9506 299.4676 -151.2476 -120.8591 760761.7021 3.2245 3.2302 PRESSURE: 3677200 -6.90687 -169.506 -42.0821 -169.506 91.977 4.65772 -42.083 4.65774 237.027 GPRESSURE: 3677200 9.43753 -121.832 -113.055 -63.3116 132.817 -23.6537 4.75866 32.3369 264.107 PRESSAVG: 3677200 -13.5123 -37.6646 -21.2293 -37.6647 53.4509 -48.0396 -21.2293 -48.0397 17.5739 GPRESSAVG: 3677200 -13.0581 -37.7022 -21.7848 -37.6759 53.0928 -48.8258 -21.9689 -47.8689 18.3293 TIMING: 3677200 CPU: 11619.4, 0.00314729/step Wall: 11619.4, 0.00314729/step, 1.15645 hours remaining, 235.656250 MB of memory in use. ENERGY: 3677200 3955.5304 20717.7119 14367.3296 240.4162 -203570.0085 2714.0734 0.0000 0.0000 52351.3928 -109223.5542 300.8642 -161574.9470 -108857.0567 299.8920 107.3655 135.4538 759439.8311 19.1708 19.4547 PRESSURE: 3677400 -250.763 -28.0323 193.734 -28.0331 322.02 81.4959 193.734 81.4961 188.198 GPRESSURE: 3677400 -163.755 53.2239 207.045 -35.2504 270.781 22.6023 240.662 185.174 219.979 PRESSAVG: 3677400 -25.7372 -43.4233 27.386 -43.4234 25.7311 -14.1949 27.386 -14.1949 6.64359 GPRESSAVG: 3677400 -25.4678 -41.6839 27.1412 -43.6722 24.8805 -14.1975 29.0916 -13.7476 6.55486 TIMING: 3677400 CPU: 11620, 0.00316497/step Wall: 11620, 0.00316497/step, 1.16278 hours remaining, 235.656250 MB of memory in use. ENERGY: 3677400 3965.9854 20734.6168 14406.5649 225.3342 -203550.1282 2610.2180 0.0000 0.0000 52361.5185 -109245.8903 300.9224 -161607.4088 -108888.7991 300.1309 86.4850 109.0018 761694.2756 2.2125 1.9892 PRESSURE: 3677600 98.8898 -99.158 198.585 -99.1582 -68.363 -83.0861 198.585 -83.0856 168.598 GPRESSURE: 3677600 100.248 -43.8564 265.256 -22.0271 -31.3481 -103.183 179.974 -106.126 194.199 PRESSAVG: 3677600 -65.9 -6.91294 28.8334 -6.91292 45.7813 10.6754 28.8333 10.6753 7.97984 GPRESSAVG: 3677600 -67.0383 -6.87537 30.6718 -6.14879 46.7416 10.2752 27.6161 9.81101 7.65591 TIMING: 3677600 CPU: 11620.6, 0.00316398/step Wall: 11620.6, 0.00316398/step, 1.16223 hours remaining, 235.656250 MB of memory in use. ENERGY: 3677600 4025.4797 20518.2916 14389.7284 262.6293 -203450.9968 2745.5317 0.0000 0.0000 52297.3057 -109212.0303 300.5533 -161509.3361 -108846.9146 300.0668 66.3751 87.6997 762546.9619 -4.0463 -4.2136 PRESSURE: 3677800 -122.354 92.4049 -70.7658 92.4053 -381.412 254.399 -70.7663 254.398 -231.606 GPRESSURE: 3677800 -120.41 89.2377 -123.595 61.646 -319.678 190.74 -195.198 286.287 -209.551 PRESSAVG: 3677800 18.9651 -40.7786 5.73548 -40.7785 -32.4622 55.7467 5.73551 55.7467 -15.5157 GPRESSAVG: 3677800 19.1426 -42.781 3.55589 -40.2964 -32.2321 56.0728 6.22475 54.9529 -15.709 TIMING: 3677800 CPU: 11621.2, 0.00315551/step Wall: 11621.2, 0.00315551/step, 1.15895 hours remaining, 235.656250 MB of memory in use. ENERGY: 3677800 4064.1603 20586.1570 14478.5332 246.4066 -202750.0308 2406.1851 0.0000 0.0000 52110.3841 -108858.2045 299.4791 -160968.5886 -108497.5000 300.7500 -245.1238 -216.5463 763441.5650 -9.6709 -9.5995 PRESSURE: 3678000 -143.95 -141.609 -69.5868 -141.607 147.964 182.984 -69.5863 182.984 315.452 GPRESSURE: 3678000 -69.1708 -117.824 1.45296 -34.5375 199.672 232.429 -10.801 48.7959 267.294 PRESSAVG: 3678000 30.5373 -44.4315 -31.5265 -44.4315 -16.9201 -20.8609 -31.5265 -20.8609 -17.0176 GPRESSAVG: 3678000 31.532 -43.0597 -30.1554 -43.6398 -17.8288 -18.707 -32.8419 -19.3146 -16.7762 TIMING: 3678000 CPU: 11621.9, 0.0031475/step Wall: 11621.9, 0.0031475/step, 1.15583 hours remaining, 235.656250 MB of memory 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 3950.4538 20637.1679 14466.4701 256.2148 -202854.9489 2392.1152 0.0000 0.0000 52075.9869 -109076.5402 299.2814 -161152.5271 -108713.0733 300.5041 106.4887 132.5982 762834.0207 -1.1335 -1.0244 PRESSURE: 3678200 318.063 75.806 -52.9441 75.806 -78.003 83.9524 -52.9442 83.9522 -26.4342 GPRESSURE: 3678200 249.734 49.8153 -96.9489 142.395 52.8845 42.3444 -120.495 19.9861 1.33443 PRESSAVG: 3678200 -42.3096 -23.7421 10.8693 -23.7421 -9.17308 -13.443 10.8692 -13.443 13.5654 GPRESSAVG: 3678200 -42.5273 -24.9511 11.067 -24.3873 -8.63382 -14.8559 12.2396 -14.9429 13.5565 TIMING: 3678200 CPU: 11622.5, 0.00316789/step Wall: 11622.5, 0.00316789/step, 1.16314 hours remaining, 235.656250 MB of memory in use. ENERGY: 3678200 3877.4884 20557.1485 14483.1261 242.5884 -203203.7536 2518.1030 0.0000 0.0000 52242.9768 -109282.3224 300.2411 -161525.2992 -108909.2872 300.0921 71.2087 101.3175 760837.6733 -12.6391 -12.5349 PRESSURE: 3678400 34.904 -200.465 55.7575 -200.464 -404.19 -68.1323 55.7574 -68.1313 10.4269 GPRESSURE: 3678400 -5.26016 -260.325 -24.3025 -121.457 -299.468 -113.229 56.6467 -76.0888 35.4564 PRESSAVG: 3678400 65.0011 -69.9996 40.6961 -69.9996 -57.6332 -20.1267 40.6962 -20.1267 -12.4355 GPRESSAVG: 3678400 63.1828 -69.3897 38.9067 -69.0733 -57.4741 -22.3393 41.8478 -21.3338 -11.0796 TIMING: 3678400 CPU: 11623.1, 0.0031618/step Wall: 11623.1, 0.0031618/step, 1.16073 hours remaining, 235.656250 MB of memory in use. ENERGY: 3678400 3953.3084 20637.2053 14441.3402 247.1204 -202974.2328 2410.5970 0.0000 0.0000 52066.3477 -109218.3139 299.2260 -161284.6616 -108855.4510 300.0678 -119.6196 -89.7572 760069.8179 -1.6892 -1.7903 PRESSURE: 3678600 82.1464 -199.443 -119.103 -199.443 -36.0363 -81.9432 -119.103 -81.9435 -100.725 GPRESSURE: 3678600 127.401 -200.947 -92.7594 -72.1373 3.03091 -68.0567 -71.7327 -13.5238 -74.8567 PRESSAVG: 3678600 -16.2932 -37.8737 47.9198 -37.8737 10.2558 -12.8558 47.9198 -12.8558 5.22989 GPRESSAVG: 3678600 -14.065 -39.2801 51.1646 -36.5472 9.73352 -10.7589 47.4917 -10.4268 3.16772 TIMING: 3678600 CPU: 11623.8, 0.00316973/step Wall: 11623.8, 0.00316973/step, 1.16347 hours remaining, 235.656250 MB of memory in use. ENERGY: 3678600 3975.3267 20715.9531 14420.2621 232.8845 -203155.3119 2748.0561 0.0000 0.0000 51992.4932 -109070.3361 298.8016 -161062.8292 -108718.1400 300.6174 -18.2051 18.5250 761861.3997 -0.2692 -0.3879 PRESSURE: 3678800 89.7935 93.1775 234.713 93.1783 -353.953 2.23759 234.712 2.2373 303.538 GPRESSURE: 3678800 159.411 133.548 284.024 92.9584 -196.884 -17.8224 198.139 110.834 174.602 PRESSAVG: 3678800 25.8653 -38.1034 48.2263 -38.1035 -27.4942 2.102 48.2262 2.10201 0.191852 GPRESSAVG: 3678800 24.5601 -34.9583 45.5025 -42.0098 -26.6412 2.09992 49.1005 0.824848 0.561764 TIMING: 3678800 CPU: 11624.4, 0.00316146/step Wall: 11624.4, 0.00316146/step, 1.16026 hours remaining, 235.656250 MB of memory in use. ENERGY: 3678800 4016.1748 20563.3831 14461.4747 232.4242 -203125.5275 2513.5013 0.0000 0.0000 52530.4109 -108808.1585 301.8930 -161338.5694 -108435.9177 300.7719 13.1263 45.7099 760754.3440 -0.4790 -0.5064 PRESSURE: 3679000 -109.121 -8.3076 -202.176 -8.3086 112.886 -405.347 -202.176 -405.347 -240.656 GPRESSURE: 3679000 -100.925 73.0245 -201.791 -118.849 161.287 -504.69 -237.893 -293.121 -189.825 PRESSAVG: 3679000 14.9553 -12.8363 60.7151 -12.8363 -19.8506 3.8367 60.7152 3.83676 -0.32685 GPRESSAVG: 3679000 14.9352 -13.4064 61.1693 -8.97476 -19.9123 2.10685 56.5589 6.95255 0.381166 TIMING: 3679000 CPU: 11625, 0.00316963/step Wall: 11625, 0.00316963/step, 1.16308 hours remaining, 235.656250 MB of memory in use. ENERGY: 3679000 4028.8304 20718.1610 14406.6623 246.7162 -203113.7818 2597.1063 0.0000 0.0000 52171.0138 -108945.2919 299.8275 -161116.3057 -108583.5338 300.7594 -78.9636 -43.1545 760218.7010 -1.7407 -1.5320 PRESSURE: 3679200 7.92363 -18.2786 -172.231 -18.2794 43.9487 200.578 -172.231 200.578 -322.479 GPRESSURE: 3679200 -16.2214 -52.8551 -242.235 -82.5481 80.9138 251.701 36.39 94.1125 -243.98 PRESSAVG: 3679200 40.5692 -66.6676 -9.81374 -66.6676 -14.4885 -9.16141 -9.81373 -9.16141 -23.7608 GPRESSAVG: 3679200 40.1861 -68.3826 -9.47493 -68.7719 -14.5141 -7.14353 -7.12466 -11.349 -23.2015 TIMING: 3679200 CPU: 11625.7, 0.00316301/step Wall: 11625.7, 0.00316301/step, 1.16047 hours remaining, 235.656250 MB of memory in use. ENERGY: 3679200 4051.2429 20612.7710 14399.9487 238.6843 -203018.8113 2417.4219 0.0000 0.0000 52217.0688 -109081.6736 300.0922 -161298.7425 -108722.7271 300.1641 -90.2021 -59.7624 761900.6742 0.7733 0.8235 PRESSURE: 3679400 63.2425 -50.9685 52.9965 -50.9689 -106.001 -124.578 52.9965 -124.577 164.096 GPRESSURE: 3679400 84.688 -98.593 13.128 14.7955 -109.134 -68.5649 38.8337 -40.0556 242.103 PRESSAVG: 3679400 21.5675 -26.7494 -10.1825 -26.7493 -29.5051 26.8073 -10.1825 26.8074 22.7941 GPRESSAVG: 3679400 23.54 -25.9006 -10.5656 -25.9389 -29.5823 24.8049 -11.0668 27.73 21.0979 TIMING: 3679400 CPU: 11626.3, 0.00316833/step Wall: 11626.3, 0.00316833/step, 1.16225 hours remaining, 235.656250 MB of memory in use. ENERGY: 3679400 4011.0332 20528.0073 14442.1620 245.9213 -202798.1388 2323.1449 0.0000 0.0000 52330.7855 -108917.0845 300.7457 -161247.8701 -108562.1812 300.4696 40.4461 72.5525 761058.8755 4.9522 5.0186 PRESSURE: 3679600 187.548 -48.6818 101.104 -48.6819 172.254 41.5146 101.103 41.5149 -716.081 GPRESSURE: 3679600 235.701 -96.1168 184.865 111.648 155.375 138.063 83.6124 -215.935 -664.732 PRESSAVG: 3679600 37.9334 -29.2115 25.2696 -29.2116 -18.7039 1.60551 25.2696 1.60557 10.4884 GPRESSAVG: 3679600 37.356 -29.5295 26.0394 -28.5301 -18.6677 2.676 26.2922 0.877586 11.1974 TIMING: 3679600 CPU: 11626.9, 0.00317423/step Wall: 11626.9, 0.00317423/step, 1.16424 hours remaining, 235.656250 MB of memory in use. ENERGY: 3679600 4047.1033 20480.7701 14404.1552 239.7397 -203343.0379 2717.3968 0.0000 0.0000 52431.5636 -109022.3091 301.3249 -161453.8728 -108668.4711 300.5440 -118.7596 -91.2186 762182.6009 9.9060 9.9619 PRESSURE: 3679800 239.738 -223.821 186.961 -223.821 -148.679 -58.0264 186.961 -58.0261 -57.2019 GPRESSURE: 3679800 318.18 -90.7625 150.401 -274.677 -240.728 -120.251 45.8321 94.9482 36.4451 PRESSAVG: 3679800 10.648 -84.8738 47.3565 -84.8738 -6.50908 -7.13388 47.3565 -7.13394 -5.87034 GPRESSAVG: 3679800 10.2599 -83.3603 47.9369 -84.4927 -6.48774 -7.34105 46.2778 -7.3625 -4.94316 TIMING: 3679800 CPU: 11627.6, 0.00314849/step Wall: 11627.6, 0.00314849/step, 1.15462 hours remaining, 235.644531 MB of memory in use. ENERGY: 3679800 3968.8400 20698.8410 14507.9490 241.0865 -202956.5854 2550.4595 0.0000 0.0000 51883.3007 -109106.1086 298.1740 -160989.4093 -108751.5965 299.6769 11.2856 37.9657 761896.7650 -0.5771 -0.3903 PRESSURE: 3680000 1.2291 -55.9657 -130.084 -55.9652 -184.123 -157.018 -130.084 -157.019 196.291 GPRESSURE: 3680000 22.2296 -0.947867 -148.482 21.6865 -220.456 -162.7 -138.556 -21.1022 275.11 PRESSAVG: 3680000 15.3303 -21.9484 23.3117 -21.9484 -47.9707 11.0681 23.3116 11.068 13.9524 GPRESSAVG: 3680000 16.1612 -23.3406 21.6874 -22.5075 -47.9757 10.2533 24.1208 14.2343 12.9923 TIMING: 3680000 CPU: 11628.2, 0.00314391/step Wall: 11628.2, 0.00314391/step, 1.15277 hours remaining, 235.644531 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: 3680000 3948.1293 20505.3039 14426.9006 255.7990 -203307.8132 2627.4595 0.0000 0.0000 52424.7813 -109119.4396 301.2859 -161544.2209 -108751.6350 299.6502 4.4657 25.6277 761335.1648 -6.2293 -6.2741 PRESSURE: 3680200 -132.693 -105.244 212.645 -105.243 24.0806 -52.3863 212.644 -52.3857 68.21 GPRESSURE: 3680200 -36.3476 -77.5949 147.24 -139.31 -3.46808 -60.0515 243.788 -8.02206 95.3104 PRESSAVG: 3680200 -2.36077 -1.02725 -38.983 -1.02718 28.4836 19.3253 -38.9831 19.3253 -17.3947 GPRESSAVG: 3680200 -2.61943 -0.99261 -39.5829 0.307955 27.7126 19.2337 -37.3411 18.125 -16.0688 TIMING: 3680200 CPU: 11628.8, 0.00317369/step Wall: 11628.8, 0.00317369/step, 1.16351 hours remaining, 235.644531 MB of memory in use. ENERGY: 3680200 3942.6017 20481.2128 14436.3695 258.0103 -202993.1860 2558.6247 0.0000 0.0000 51929.7373 -109386.6297 298.4409 -161316.3670 -109023.4758 300.0335 -13.4673 18.4982 763255.2489 2.9094 3.0081 LDB: ============= START OF LOAD BALANCING ============== 11641.4 LDB: ============== END OF LOAD BALANCING =============== 11641.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11641.4 LDB: ============= START OF LOAD BALANCING ============== 11641.7 LDB: Largest compute 7034 load 0.032036 is 16.4% of average load 0.195710 LDB: Average compute 0.004365 is 2.2% of average load 0.195710 LDB: TIME 11641.7 LOAD: AVG 0.19571 MAX 0.213129 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.426 MB LDB: TIME 11641.7 LOAD: AVG 0.19571 MAX 0.213129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: TIME 11641.7 LOAD: AVG 0.19571 MAX 0.213129 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.426 MB LDB: ============== END OF LOAD BALANCING =============== 11641.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11641.7 PRESSURE: 3680400 -61.6243 15.1007 132.621 15.1013 -234.796 218.3 132.622 218.299 -133.842 GPRESSURE: 3680400 -117.584 80.1709 189.926 -17.5696 -68.1299 240.436 204.889 265.133 -148.507 PRESSAVG: 3680400 -8.71892 36.5546 21.244 36.5547 -3.47988 -36.0938 21.244 -36.0937 -0.0884269 GPRESSAVG: 3680400 -9.56034 36.5415 21.7957 34.0825 -1.78546 -34.3828 17.3603 -36.4286 -1.3811 TIMING: 3680400 CPU: 11629.5, 0.00324786/step Wall: 11629.5, 0.00324786/step, 1.19052 hours remaining, 235.000000 MB of memory in use. ENERGY: 3680400 4000.1859 20590.9164 14371.2532 253.9685 -203150.4030 2607.7531 0.0000 0.0000 52068.4289 -109257.8970 299.2380 -161326.3259 -108897.7844 299.5177 -143.4207 -111.4070 762288.6754 -4.0957 -4.2423 PRESSURE: 3680600 -305.058 61.5005 -26.3151 61.5011 -0.706287 -39.3575 -26.3151 -39.3581 -154.832 GPRESSURE: 3680600 -222.633 -60.2104 50.6292 14.8906 -20.5871 45.2379 -125.396 -14.5498 -112.136 PRESSAVG: 3680600 36.7697 -81.838 41.3234 -81.8381 -36.7635 -39.21 41.3235 -39.2099 7.39675 GPRESSAVG: 3680600 37.823 -82.8875 40.6619 -80.8286 -37.1335 -39.338 43.1869 -40.9372 6.55281 TIMING: 3680600 CPU: 11630.1, 0.00315837/step Wall: 11630.1, 0.00315837/step, 1.15754 hours remaining, 235.000000 MB of memory in use. ENERGY: 3680600 4001.6589 20417.2127 14437.5544 240.6887 -203232.4998 2688.4827 0.0000 0.0000 52120.7491 -109326.1534 299.5387 -161446.9025 -108957.4920 299.7863 -153.5322 -118.4519 762651.6529 2.4677 2.4141 PRESSURE: 3680800 -409.485 -128.814 -155.368 -128.814 -396.732 -123.14 -155.367 -123.141 -116.384 GPRESSURE: 3680800 -338.984 -46.3068 -37.9473 -93.4721 -387.882 -63.9617 -91.7541 -212.443 -107.348 PRESSAVG: 3680800 3.61626 -1.02061 7.16694 -1.02062 -9.6075 -85.4896 7.16692 -85.4897 -16.1399 GPRESSAVG: 3680800 5.49224 -0.812281 8.95225 -1.22686 -10.7843 -86.6755 7.60036 -84.42 -16.2478 TIMING: 3680800 CPU: 11630.8, 0.00316845/step Wall: 11630.8, 0.00316845/step, 1.16106 hours remaining, 235.000000 MB of memory in use. ENERGY: 3680800 4033.6477 20423.5086 14441.0576 249.6349 -202813.0111 2346.3004 0.0000 0.0000 51961.3644 -109357.4976 298.6227 -161318.8619 -108993.4555 299.6072 -307.5337 -278.0714 762594.4308 -7.3770 -7.1799 PRESSURE: 3681000 153.264 39.2864 196.875 39.2857 -0.472459 -24.9093 196.876 -24.9095 -510.226 GPRESSURE: 3681000 39.3867 57.7774 153.355 109.304 115.235 34.8516 183.429 -159.352 -422.4 PRESSAVG: 3681000 55.3884 -10.5642 -11.7036 -10.5642 -45.6851 -77.4849 -11.7035 -77.485 4.03017 GPRESSAVG: 3681000 52.7582 -8.98524 -12.6021 -11.0524 -44.4921 -77.2044 -11.7919 -80.2145 5.41523 TIMING: 3681000 CPU: 11631.4, 0.00317584/step Wall: 11631.4, 0.00317584/step, 1.16359 hours remaining, 235.000000 MB of memory in use. ENERGY: 3681000 4051.1896 20613.3820 14460.8629 238.6308 -203037.2264 2452.1468 0.0000 0.0000 51971.9655 -109249.0487 298.6836 -161221.0142 -108877.7347 298.9235 -119.1449 -89.2593 759811.4086 4.5778 4.5604 PRESSURE: 3681200 132.278 -44.7501 -206.973 -44.7509 -470.687 23.3625 -206.974 23.3614 58.8536 GPRESSURE: 3681200 75.7585 -94.6954 -179.978 -115.195 -317.825 4.78964 -25.4657 108.644 51.755 PRESSAVG: 3681200 66.6818 -40.3959 62.6129 -40.3959 -89.6417 -32.2921 62.6129 -32.2921 -5.30509 GPRESSAVG: 3681200 67.262 -41.5538 62.3636 -40.0279 -89.5401 -31.2371 65.2978 -30.8752 -5.97274 TIMING: 3681200 CPU: 11632, 0.00317817/step Wall: 11632, 0.00317817/step, 1.16427 hours remaining, 235.000000 MB of memory in use. ENERGY: 3681200 4062.0810 20540.4213 14467.8051 256.1119 -203204.2619 2464.3140 0.0000 0.0000 52118.3144 -109295.2142 299.5247 -161413.5286 -108931.6918 299.7160 -93.1850 -63.4372 760683.7008 -9.4216 -9.4169 PRESSURE: 3681400 -157.938 -83.8966 156.573 -83.8967 -284.774 180.798 156.573 180.799 -418.46 GPRESSURE: 3681400 -52.581 -77.8722 48.7253 -4.07961 -304.997 247.66 134.119 39.2963 -407.722 PRESSAVG: 3681400 89.4818 -9.76591 -23.2777 -9.76592 -43.4615 43.5997 -23.2777 43.5996 -10.6872 GPRESSAVG: 3681400 89.5365 -9.35064 -24.7701 -10.7356 -43.4537 42.4361 -24.2577 42.4794 -10.494 TIMING: 3681400 CPU: 11632.7, 0.00318608/step Wall: 11632.7, 0.00318608/step, 1.16699 hours remaining, 235.000000 MB of memory in use. ENERGY: 3681400 4099.3079 20427.1227 14470.5496 241.3228 -203016.8154 2365.6307 0.0000 0.0000 52179.7954 -109233.0864 299.8780 -161412.8817 -108878.3413 300.1213 -287.0576 -255.1001 759790.9100 11.7777 11.8630 PRESSURE: 3681600 139.688 -67.7151 199.401 -67.7145 -361.425 52.2074 199.401 52.2077 302.808 GPRESSURE: 3681600 138.469 -43.2692 161.71 11.1982 -301.556 106.397 117.527 60.2906 329.488 PRESSAVG: 3681600 28.2101 -34.7416 -23.9584 -34.7417 -26.4118 -0.0214647 -23.9584 -0.0213837 24.4067 GPRESSAVG: 3681600 28.3231 -35.5227 -21.5229 -34.9603 -26.5977 0.734492 -24.4316 3.48419 24.6377 TIMING: 3681600 CPU: 11633.3, 0.00315409/step Wall: 11633.3, 0.00315409/step, 1.1551 hours remaining, 235.000000 MB of memory in use. ENERGY: 3681600 3973.2800 20511.8116 14520.8684 254.7993 -203775.7690 2706.0308 0.0000 0.0000 52202.5109 -109606.4681 300.0085 -161808.9790 -109246.7184 299.6205 27.0234 55.4670 760607.4465 8.7350 8.7877 PRESSURE: 3681800 -92.8091 -43.8452 11.3665 -43.846 -148.199 82.776 11.3669 82.7773 -265.613 GPRESSURE: 3681800 -118.768 -67.9343 -35.5601 -14.3681 -12.7427 16.012 -22.2496 158.811 -291.697 PRESSAVG: 3681800 33.169 -14.4701 -8.23556 -14.4701 -33.3985 -20.872 -8.23554 -20.872 1.3367 GPRESSAVG: 3681800 32.7815 -16.2784 -8.94464 -14.4871 -33.0823 -20.8956 -8.53448 -23.273 0.970049 TIMING: 3681800 CPU: 11633.9, 0.00316081/step Wall: 11633.9, 0.00316081/step, 1.15738 hours remaining, 235.000000 MB of memory in use. ENERGY: 3681800 3998.2273 20455.1806 14467.8183 259.9627 -203149.9363 2477.9572 0.0000 0.0000 52033.7370 -109457.0533 299.0386 -161490.7904 -109092.0124 298.9130 -168.8736 -141.0692 762477.8489 0.3691 0.2231 PRESSURE: 3682000 -226.386 92.4833 -319.23 92.4835 -17.0317 -48.2036 -319.231 -48.2035 -46.7027 GPRESSURE: 3682000 -151.911 95.0274 -260.46 114.907 -31.7394 -17.8798 -239.349 -111.513 -5.36478 PRESSAVG: 3682000 22.5479 12.6138 -8.92841 12.6137 -42.4496 -24.1792 -8.92848 -24.1791 -10.4207 GPRESSAVG: 3682000 22.3767 16.8634 -8.5657 11.5117 -42.9486 -24.6392 -10.6163 -22.1277 -9.11725 TIMING: 3682000 CPU: 11634.6, 0.00316376/step Wall: 11634.6, 0.00316376/step, 1.15829 hours remaining, 235.000000 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: 3682000 4003.9169 20438.7942 14506.3539 271.4391 -203480.3890 2358.3259 0.0000 0.0000 52212.2340 -109689.3250 300.0644 -161901.5590 -109317.9017 299.2670 -96.7067 -63.0050 760586.3893 -10.1075 -9.8964 PRESSURE: 3682200 -83.7337 60.8844 145.59 60.8852 -326.785 39.9084 145.59 39.9079 252.78 GPRESSURE: 3682200 122.802 92.9652 241.248 127.124 -348.2 14.7256 -45.4082 168.884 161.93 PRESSAVG: 3682200 3.52212 2.4662 25.6675 2.46623 -40.7828 -30.5447 25.6676 -30.5446 23.5832 GPRESSAVG: 3682200 4.60496 1.36512 25.2818 4.62224 -39.8624 -29.1578 26.0147 -33.4539 21.8976 TIMING: 3682200 CPU: 11635.2, 0.00316728/step Wall: 11635.2, 0.00316728/step, 1.1594 hours remaining, 235.000000 MB of memory in use. ENERGY: 3682200 3940.6309 20493.8629 14436.2394 242.0135 -203373.6237 2459.4900 0.0000 0.0000 52097.6103 -109703.7767 299.4057 -161801.3870 -109342.5081 298.8690 -52.5795 -21.1558 761234.8531 -4.5592 -4.4533 PRESSURE: 3682400 -161.514 -8.59513 -35.654 -8.59563 130.969 20.5452 -35.6538 20.5442 -102.588 GPRESSURE: 3682400 -55.0701 -108.309 -52.4279 -85.9932 39.8955 24.591 6.94413 50.186 -44.226 PRESSAVG: 3682400 87.0509 26.3335 -6.41041 26.3335 -88.0208 20.2115 -6.41041 20.2115 20.167 GPRESSAVG: 3682400 87.0793 25.2488 -4.74273 25.846 -88.8207 17.6307 -6.27145 25.3658 20.7321 TIMING: 3682400 CPU: 11635.8, 0.00315529/step Wall: 11635.8, 0.00315529/step, 1.15484 hours remaining, 235.000000 MB of memory in use. ENERGY: 3682400 3974.9305 20372.1749 14426.9655 243.7476 -203362.1400 2713.5894 0.0000 0.0000 52023.3532 -109607.3789 298.9789 -161630.7321 -109248.2143 298.8077 -44.3776 -19.8002 761908.3891 6.3990 6.3302 PRESSURE: 3682600 -444.304 168.461 -173.414 168.462 -225.041 -208.119 -173.414 -208.119 -102.174 GPRESSURE: 3682600 -338.522 196.708 -192.323 203.773 -216.023 -207.028 -182.876 -210.695 -141.174 PRESSAVG: 3682600 80.3901 31.9959 22.9106 31.996 -100.459 7.19005 22.9106 7.19003 -32.4364 GPRESSAVG: 3682600 80.9721 32.0303 20.6593 32.3766 -100.92 8.70497 23.4671 3.93781 -32.0481 TIMING: 3682600 CPU: 11636.5, 0.00316535/step Wall: 11636.5, 0.00316535/step, 1.15834 hours remaining, 235.000000 MB of memory in use. ENERGY: 3682600 3956.0194 20524.9371 14524.4882 270.9366 -202866.4378 2150.1428 0.0000 0.0000 51994.2685 -109445.6452 298.8118 -161439.9137 -109083.0472 298.8205 -257.1731 -231.9061 763049.8225 -17.5019 -17.3319 PRESSURE: 3682800 144.326 47.4823 201.282 47.4824 -253.981 5.52811 201.282 5.5277 148.251 GPRESSURE: 3682800 181.236 24.0927 257.863 78.8453 -203.732 31.7315 180.97 30.8171 158.746 PRESSAVG: 3682800 49.3883 -1.22078 -21.1145 -1.2208 -24.2375 1.90595 -21.1145 1.90595 3.55553 GPRESSAVG: 3682800 48.7616 -0.036177 -19.6741 -2.12887 -24.7149 0.546682 -20.8881 2.99958 4.26403 TIMING: 3682800 CPU: 11637.1, 0.00316467/step Wall: 11637.1, 0.00316467/step, 1.15792 hours remaining, 235.000000 MB of memory in use. ENERGY: 3682800 3943.5375 20454.9842 14395.8148 246.3994 -203593.7558 2732.3313 0.0000 0.0000 52219.5736 -109601.1149 300.1066 -161820.6886 -109237.4420 298.8761 12.8651 45.4166 760325.8329 9.5688 9.4369 PRESSURE: 3683000 311.91 -71.9158 131.542 -71.917 26.3392 78.9929 131.542 78.9919 15.7203 GPRESSURE: 3683000 380.614 1.46272 55.6405 34.4817 16.1541 88.3734 44.3106 151.089 67.2438 PRESSAVG: 3683000 22.4473 19.2104 -4.13608 19.2105 -17.1405 30.0279 -4.1361 30.0279 0.98305 GPRESSAVG: 3683000 22.867 18.711 -4.16124 21.4195 -16.8917 30.9441 -5.29768 29.997 0.354715 TIMING: 3683000 CPU: 11637.7, 0.00317979/step Wall: 11637.7, 0.00317979/step, 1.16327 hours remaining, 235.000000 MB of memory in use. ENERGY: 3683000 4015.5786 20541.3050 14530.7776 248.9388 -203274.6049 2559.2367 0.0000 0.0000 51898.8891 -109479.8792 298.2636 -161378.7682 -109133.9145 299.0719 117.9897 154.6705 759794.5992 2.0966 2.1100 PRESSURE: 3683200 -194.255 116.556 173.983 116.555 -257.469 0.0982515 173.983 0.097043 599.184 GPRESSURE: 3683200 -90.7517 234.81 177.446 53.6749 -179.637 68.6512 95.6637 97.7055 497.885 PRESSAVG: 3683200 -24.9502 36.875 76.7788 36.875 -47.0599 29.9659 76.7787 29.9658 -14.3674 GPRESSAVG: 3683200 -25.4971 35.3259 76.8625 36.6558 -47.4455 30.0134 78.6792 29.362 -13.5489 TIMING: 3683200 CPU: 11638.4, 0.00316024/step Wall: 11638.4, 0.00316024/step, 1.15595 hours remaining, 235.000000 MB of memory in use. ENERGY: 3683200 4031.5792 20529.9863 14444.1183 253.6602 -203547.9874 2710.9925 0.0000 0.0000 52025.4633 -109552.1876 298.9911 -161577.6509 -109175.2996 299.1565 49.1535 75.8322 760434.1161 -28.7925 -28.8305 PRESSURE: 3683400 157.365 -10.8592 -7.99015 -10.8589 228.818 -151.14 -7.99109 -151.14 -147.403 GPRESSURE: 3683400 225.551 -124.984 -12.4404 -21.3532 195.445 -115.326 -31.1532 -34.1822 -84.9976 PRESSAVG: 3683400 86.8231 -51.9286 37.2549 -51.9286 -60.9306 -41.2606 37.255 -41.2605 -6.95835 GPRESSAVG: 3683400 86.1411 -50.4983 38.188 -54.0488 -60.53 -41.7252 34.6293 -41.1219 -6.61755 TIMING: 3683400 CPU: 11639, 0.0031783/step Wall: 11639, 0.0031783/step, 1.16238 hours remaining, 235.000000 MB of memory in use. ENERGY: 3683400 3935.1128 20529.7950 14465.3536 245.8828 -203294.3876 2561.9532 0.0000 0.0000 52132.2011 -109424.0890 299.6045 -161556.2902 -109066.7732 299.1759 79.5933 111.9994 761815.9688 6.3114 6.3312 PRESSURE: 3683600 105.363 24.7497 371.142 24.749 -115.882 20.5898 371.142 20.5894 401.52 GPRESSURE: 3683600 173.588 -49.1244 331.807 62.9664 -66.9914 -15.726 341.775 50.6624 371.654 PRESSAVG: 3683600 40.0161 -1.8803 1.00211 -1.88033 -10.6486 6.71712 1.00209 6.71719 16.0668 GPRESSAVG: 3683600 39.7757 -1.9679 -0.0733847 0.934883 -9.72541 7.32341 0.810173 4.97799 14.7973 TIMING: 3683600 CPU: 11639.6, 0.00317271/step Wall: 11639.6, 0.00317271/step, 1.16016 hours remaining, 235.000000 MB of memory in use. ENERGY: 3683600 4037.5035 20652.9157 14451.9292 234.9687 -203184.8205 2568.3869 0.0000 0.0000 52005.0220 -109234.0945 298.8736 -161239.1165 -108890.0801 299.7197 130.3338 159.4169 759972.3667 15.1448 14.9492 PRESSURE: 3683800 198.597 41.3215 -21.6198 41.3214 -88.2348 -100.28 -21.6189 -100.281 61.3737 GPRESSURE: 3683800 331.351 162.611 -92.8702 -77.9524 -87.9344 3.65169 -7.3314 -21.5379 12.1805 PRESSAVG: 3683800 42.522 23.3868 -45.4602 23.3868 -57.1275 -7.13489 -45.4602 -7.13485 -19.3966 GPRESSAVG: 3683800 42.6458 23.1861 -46.5997 20.6788 -57.3696 -7.88234 -43.0006 -5.13045 -19.1357 TIMING: 3683800 CPU: 11640.3, 0.00315947/step Wall: 11640.3, 0.00315947/step, 1.15514 hours remaining, 235.000000 MB of memory in use. ENERGY: 3683800 3905.9743 20424.7360 14509.0236 229.7683 -203001.5092 2322.5017 0.0000 0.0000 52364.1858 -109245.3194 300.9377 -161609.5052 -108872.8939 299.8899 57.2452 85.1989 761620.6223 -11.3340 -11.2865 PRESSURE: 3684000 119.267 -115.805 -84.4478 -115.805 159.063 376.768 -84.4482 376.768 22.9985 GPRESSURE: 3684000 123.596 -106.912 -46.3423 -198.311 228.369 381.333 -76.8107 324.225 54.1142 PRESSAVG: 3684000 68.1569 32.5965 -16.9419 32.5965 -55.5868 13.0642 -16.9418 13.0642 7.7989 GPRESSAVG: 3684000 68.5683 32.5453 -16.0554 32.1504 -56.697 13.3465 -16.98 11.9405 8.17176 TIMING: 3684000 CPU: 11640.9, 0.00317064/step Wall: 11640.9, 0.00317064/step, 1.15905 hours remaining, 235.000000 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: 3684000 3967.6169 20585.8517 14513.3930 250.7945 -202951.2861 2441.5493 0.0000 0.0000 51910.7051 -109281.3757 298.3315 -161192.0808 -108924.9252 299.3909 100.4429 135.3595 762387.2558 6.7897 6.6810 PRESSURE: 3684200 363.451 -138.217 62.4941 -138.217 60.5159 7.38275 62.4943 7.38293 87.4328 GPRESSURE: 3684200 388.539 -164.789 126.916 -166.271 54.9263 53.6027 -35.9999 5.65486 135.686 PRESSAVG: 3684200 14.2388 -24.6652 -19.2868 -24.6652 3.7 15.8625 -19.2868 15.8626 -16.6626 GPRESSAVG: 3684200 12.448 -24.1916 -19.2262 -23.6637 5.55526 14.3516 -20.241 16.4721 -17.2284 TIMING: 3684200 CPU: 11641.5, 0.00316888/step Wall: 11641.5, 0.00316888/step, 1.15822 hours remaining, 235.000000 MB of memory in use. ENERGY: 3684200 4046.4192 20696.7229 14446.8577 250.9226 -203503.3535 2804.1740 0.0000 0.0000 52026.4487 -109231.8084 298.9967 -161258.2571 -108877.9551 299.7369 170.4665 193.0502 761238.0166 0.4254 0.2583 LDB: ============= START OF LOAD BALANCING ============== 11654.1 LDB: ============== END OF LOAD BALANCING =============== 11654.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11654.1 LDB: ============= START OF LOAD BALANCING ============== 11654.4 LDB: Largest compute 7026 load 0.030664 is 15.7% of average load 0.195717 LDB: Average compute 0.004352 is 2.2% of average load 0.195717 LDB: TIME 11654.4 LOAD: AVG 0.195717 MAX 0.213128 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 11654.4 LOAD: AVG 0.195717 MAX 0.213128 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: TIME 11654.4 LOAD: AVG 0.195717 MAX 0.213128 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.09 MB LDB: ============== END OF LOAD BALANCING =============== 11654.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11654.4 PRESSURE: 3684400 -318.643 -94.0377 16.2929 -94.038 -501.329 254.798 16.2935 254.798 -287.536 GPRESSURE: 3684400 -213.759 -220.705 -66.7587 -63.4931 -567.827 216.888 37.3954 319.336 -234.351 PRESSAVG: 3684400 93.3587 -21.3085 -2.23767 -21.3085 -42.5481 0.54063 -2.23769 0.540646 8.80052 GPRESSAVG: 3684400 96.4326 -21.9826 -3.38176 -22.0468 -45.3609 1.91842 -1.00307 0.695139 8.80903 TIMING: 3684400 CPU: 11642.2, 0.00322057/step Wall: 11642.2, 0.00322057/step, 1.17694 hours remaining, 236.675781 MB of memory in use. ENERGY: 3684400 3987.1236 20615.0728 14490.3650 251.5137 -202880.2048 2163.6824 0.0000 0.0000 52044.4412 -109328.0060 299.1001 -161372.4472 -108971.6455 299.7607 -369.1693 -338.6459 762453.2580 19.8704 19.9603 PRESSURE: 3684600 -127.953 -53.3479 142.031 -53.3477 -66.1004 -67.5839 142.03 -67.5846 223.791 GPRESSURE: 3684600 -103.394 104.515 105.458 -9.02503 29.4829 -51.5221 -41.6907 27.6975 194.493 PRESSAVG: 3684600 66.1892 -35.9313 6.98 -35.9313 -76.7277 58.2336 6.97998 58.2337 -6.63572 GPRESSAVG: 3684600 63.5648 -36.2909 8.77044 -35.1474 -75.2829 58.4703 6.05977 56.6349 -5.9933 TIMING: 3684600 CPU: 11642.8, 0.00317538/step Wall: 11642.8, 0.00317538/step, 1.16025 hours remaining, 237.136719 MB of memory in use. ENERGY: 3684600 3926.4554 20673.7570 14523.5586 231.8964 -203249.4687 2486.1880 0.0000 0.0000 52089.2519 -109318.3613 299.3576 -161407.6132 -108952.6161 299.2737 9.9128 40.1940 760913.7719 -5.7248 -5.9038 PRESSURE: 3684800 138.79 -252.016 -121.647 -252.015 78.253 203.342 -121.648 203.343 10.0935 GPRESSURE: 3684800 161.497 -193.461 -169.776 -227.075 149.693 178.453 28.3131 181.426 5.15547 PRESSAVG: 3684800 87.7793 -7.16911 -11.9512 -7.16913 -55.9904 37.0527 -11.9512 37.0526 2.18306 GPRESSAVG: 3684800 87.7063 -4.95206 -13.6408 -6.9776 -57.1741 35.7811 -11.5484 39.5098 2.72203 TIMING: 3684800 CPU: 11643.4, 0.00318036/step Wall: 11643.4, 0.00318036/step, 1.16189 hours remaining, 237.136719 MB of memory in use. ENERGY: 3684800 4011.5098 20443.1267 14423.0262 246.9490 -203202.6956 2509.8018 0.0000 0.0000 51971.5591 -109596.7230 298.6813 -161568.2821 -109231.7005 299.1417 75.7123 105.4485 759375.5322 11.3240 11.0847 PRESSURE: 3685000 -38.393 151.217 -93.9969 151.218 38.5386 308.572 -93.9959 308.572 108.253 GPRESSURE: 3685000 -31.0865 60.3343 -65.6679 107.09 132.611 238.127 -222.513 242.509 89.1091 PRESSAVG: 3685000 32.6867 -11.7501 -37.4487 -11.7502 -48.6142 77.3225 -37.4487 77.3226 -18.4481 GPRESSAVG: 3685000 33.9263 -12.1031 -37.8057 -12.7269 -48.3975 77.8138 -38.6055 74.2476 -20.1755 TIMING: 3685000 CPU: 11644.1, 0.00318654/step Wall: 11644.1, 0.00318654/step, 1.16397 hours remaining, 237.136719 MB of memory in use. ENERGY: 3685000 4033.7628 20525.9851 14379.9321 263.0850 -203205.6414 2458.7959 0.0000 0.0000 52011.6159 -109532.4646 298.9115 -161544.0805 -109168.7896 299.0514 36.1328 63.5446 762199.5261 -11.4586 -11.5489 PRESSURE: 3685200 182.749 162.078 -264.719 162.077 -50.3733 3.36945 -264.718 3.3695 2.33841 GPRESSURE: 3685200 214.174 151.762 -304.065 -15.4188 -2.67684 58.1422 -315.621 -49.2943 34.733 PRESSAVG: 3685200 70.5008 9.18673 -85.2266 9.18671 -48.3855 19.5534 -85.2267 19.5534 12.4657 GPRESSAVG: 3685200 70.9463 7.53812 -83.223 10.7447 -48.259 21.6558 -85.8896 19.6194 11.609 TIMING: 3685200 CPU: 11644.7, 0.00314676/step Wall: 11644.7, 0.00314676/step, 1.14927 hours remaining, 237.136719 MB of memory in use. ENERGY: 3685200 4020.9752 20603.4328 14518.2021 251.4883 -203383.5472 2644.2979 0.0000 0.0000 52171.8583 -109173.2926 299.8324 -161345.1508 -108823.4129 299.6933 44.9045 82.0768 759262.8020 11.5270 11.4321 PRESSURE: 3685400 94.1062 -40.5578 -13.0603 -40.5574 -112.536 191.171 -13.0596 191.171 88.3431 GPRESSURE: 3685400 95.0636 -27.5289 -21.7586 -59.3138 -34.0862 189.791 98.4012 118.602 103.626 PRESSAVG: 3685400 55.5093 -7.55431 -30.9458 -7.55432 -72.9529 7.83672 -30.9459 7.83667 4.16882 GPRESSAVG: 3685400 53.8341 -6.82277 -29.9159 -8.59891 -72.5567 7.94495 -30.4127 7.85561 5.2745 TIMING: 3685400 CPU: 11645.3, 0.00315561/step Wall: 11645.3, 0.00315561/step, 1.15232 hours remaining, 237.136719 MB of memory in use. ENERGY: 3685400 4045.4262 20567.7553 14470.2954 243.9460 -203144.7942 2323.4324 0.0000 0.0000 52334.6726 -109159.2663 300.7681 -161493.9389 -108792.2750 300.0772 23.3045 54.8677 760246.6359 -4.4249 -4.4827 PRESSURE: 3685600 -172.81 18.4171 -37.7703 18.4174 -134.915 -290.34 -37.7699 -290.34 -74.2809 GPRESSURE: 3685600 -149.168 74.6641 -104.872 138.641 -188.918 -333.8 112.547 -110.468 14.131 PRESSAVG: 3685600 41.1326 -63.978 34.2991 -63.9779 -64.0208 16.2679 34.2991 16.2678 -10.7298 GPRESSAVG: 3685600 42.88 -63.4722 30.7564 -64.2876 -65.299 14.588 35.3636 18.5383 -10.5529 TIMING: 3685600 CPU: 11646, 0.00314069/step Wall: 11646, 0.00314069/step, 1.1467 hours remaining, 237.136719 MB of memory in use. ENERGY: 3685600 4018.9852 20651.1615 14401.0174 226.6954 -202919.8544 2281.7665 0.0000 0.0000 52235.7816 -109104.4467 300.1998 -161340.2283 -108735.6682 300.2592 -127.3352 -107.9850 760823.5979 -11.2060 -10.9906 PRESSURE: 3685800 191.666 141.921 105.131 141.92 -147.059 207.671 105.132 207.67 186.487 GPRESSURE: 3685800 227.745 164.749 136.13 98.3393 -108.315 160.001 88.4875 301.14 183.264 PRESSAVG: 3685800 34.095 -43.3908 14.0446 -43.3908 -54.488 -4.78101 14.0447 -4.78104 -2.51545 GPRESSAVG: 3685800 33.0543 -42.7369 16.5518 -43.9961 -52.7903 -2.81041 15.692 -5.19024 -3.65873 TIMING: 3685800 CPU: 11646.6, 0.00316489/step Wall: 11646.6, 0.00316489/step, 1.15536 hours remaining, 237.136719 MB of memory in use. ENERGY: 3685800 4034.5795 20516.2502 14363.1105 247.1123 -203323.5772 2806.8409 0.0000 0.0000 52101.8210 -109253.8628 299.4299 -161355.6839 -108895.4953 300.6182 77.0316 100.8980 760251.1920 -7.6361 -7.7982 PRESSURE: 3686000 108.882 -0.318679 -130.575 -0.317666 -95.8765 -261.345 -130.574 -261.344 -22.9388 GPRESSURE: 3686000 175.675 0.548219 -119.28 35.3104 -71.264 -258.146 -209.741 -171.331 -32.4632 PRESSAVG: 3686000 32.1276 -44.2364 -50.7904 -44.2364 -3.33016 11.6545 -50.7903 11.6545 0.931216 GPRESSAVG: 3686000 32.6126 -45.824 -51.9695 -42.8168 -4.45877 11.4227 -51.4605 8.80589 1.51294 TIMING: 3686000 CPU: 11647.2, 0.00314595/step Wall: 11647.2, 0.00314594/step, 1.14827 hours remaining, 237.136719 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: 3686000 4025.6917 20528.9658 14415.5849 242.8759 -202918.5571 2443.1036 0.0000 0.0000 52098.8869 -109163.4483 299.4130 -161262.3352 -108805.0869 299.9676 -3.3111 23.9825 760742.5477 9.9096 9.8889 PRESSURE: 3686200 -144.968 -297.286 214.948 -297.286 -207.696 36.4492 214.948 36.4485 -349.018 GPRESSURE: 3686200 -135.704 -169.868 150.688 -236.571 -132.596 96.1765 180.849 -0.846706 -352.537 PRESSAVG: 3686200 17.1571 -8.43381 -7.1528 -8.43375 38.7483 -7.92799 -7.15276 -7.9281 9.51509 GPRESSAVG: 3686200 17.603 -8.23295 -6.60725 -7.26679 38.4501 -10.0883 -10.6589 -3.13351 9.80679 TIMING: 3686200 CPU: 11647.9, 0.00314473/step Wall: 11647.9, 0.00314473/step, 1.14765 hours remaining, 237.136719 MB of memory in use. ENERGY: 3686200 4040.5454 20617.8787 14481.4754 234.9461 -203085.0598 2401.0772 0.0000 0.0000 52011.3042 -109297.8329 298.9097 -161309.1370 -108932.8004 299.9670 -233.8942 -206.9455 760481.3168 21.8068 21.9533 PRESSURE: 3686400 66.4373 -125.133 28.136 -125.134 -337.55 -25.6767 28.1365 -25.6763 32.9149 GPRESSURE: 3686400 177.566 -6.24345 0.680571 -146.371 -351.968 0.92728 29.1523 25.8135 31.4931 PRESSAVG: 3686400 16.6668 15.3153 -8.91409 15.3153 -24.9897 37.9332 -8.91411 37.9332 20.7223 GPRESSAVG: 3686400 16.5575 14.9173 -9.33728 14.4335 -24.8299 40.7443 -4.82144 35.8007 20.5704 TIMING: 3686400 CPU: 11648.5, 0.00314655/step Wall: 11648.5, 0.00314655/step, 1.14814 hours remaining, 237.136719 MB of memory in use. ENERGY: 3686400 4015.7489 20731.6882 14498.6905 261.4387 -203178.9748 2351.9159 0.0000 0.0000 51874.5989 -109444.8936 298.1240 -161319.4925 -109090.5446 299.8118 -79.3992 -47.6363 760685.0317 4.1331 4.0993 PRESSURE: 3686600 211.454 4.53912 199.547 4.53864 40.379 13.0154 199.546 13.0154 -176.659 GPRESSURE: 3686600 309.444 -9.21886 169.975 -11.8367 87.4655 62.5484 146.218 -68.544 -236.82 PRESSAVG: 3686600 83.3973 17.7492 64.3074 17.7492 -35.5556 3.02716 64.3074 3.02718 8.94483 GPRESSAVG: 3686600 82.547 18.3276 64.6243 15.8148 -35.0855 2.46515 61.0094 3.54082 8.86482 TIMING: 3686600 CPU: 11649.1, 0.00316676/step Wall: 11649.1, 0.00316676/step, 1.15534 hours remaining, 237.136719 MB of memory in use. ENERGY: 3686600 4026.1320 20453.9348 14479.2727 231.9102 -203566.3166 2579.9629 0.0000 0.0000 52494.9206 -109300.1834 301.6890 -161795.1040 -108932.2761 300.2117 25.0582 53.3630 759552.2828 18.9288 18.7754 PRESSURE: 3686800 -198.579 25.6703 -121.479 25.6702 326.903 -71.2349 -121.48 -71.2347 127.248 GPRESSURE: 3686800 -173.87 21.8957 -82.3781 52.3863 380.122 -129.68 -91.89 1.41071 123.739 PRESSAVG: 3686800 -39.5472 -13.8045 -0.169133 -13.8045 13.5697 -11.1715 -0.169162 -11.1715 10.7246 GPRESSAVG: 3686800 -38.6432 -12.903 0.2711 -12.3923 12.8353 -10.405 2.06088 -10.997 10.5024 TIMING: 3686800 CPU: 11649.8, 0.00317084/step Wall: 11649.8, 0.00317084/step, 1.15665 hours remaining, 237.136719 MB of memory in use. ENERGY: 3686800 3922.8638 20378.5767 14471.5080 248.6836 -203144.8759 2523.5561 0.0000 0.0000 52359.0946 -109240.5931 300.9084 -161599.6877 -108872.1287 299.8677 85.1906 109.9970 761860.7500 -5.0843 -5.1019 PRESSURE: 3687000 336.396 -48.7796 -244.778 -48.7788 115.608 -41.6747 -244.778 -41.6754 273.212 GPRESSURE: 3687000 369.276 -101.147 -136.784 43.2192 152.069 -63.1271 -215.11 1.65724 281.03 PRESSAVG: 3687000 -1.5161 15.3811 -12.8218 15.3811 67.1645 13.1308 -12.8219 13.1308 27.7623 GPRESSAVG: 3687000 -1.15463 13.5411 -12.9051 16.8303 66.3488 11.8932 -12.2566 13.7467 28.2154 TIMING: 3687000 CPU: 11650.4, 0.00317175/step Wall: 11650.4, 0.00317175/step, 1.15681 hours remaining, 237.136719 MB of memory in use. ENERGY: 3687000 3960.3697 20283.4582 14368.0010 242.4566 -203428.8932 3052.0944 0.0000 0.0000 52249.7437 -109272.7697 300.2800 -161522.5134 -108906.4404 299.8280 241.7386 267.4584 761987.7970 31.1369 31.1365 PRESSURE: 3687200 231.299 -68.8103 6.61918 -68.8107 55.9144 73.208 6.61984 73.2074 -82.312 GPRESSURE: 3687200 219.404 -95.6064 -59.5206 -70.0075 171.976 64.9444 29.3831 -7.83175 -92.0545 PRESSAVG: 3687200 10.6942 -2.90905 27.6615 -2.90896 -39.647 33.3276 27.6615 33.3276 -24.0043 GPRESSAVG: 3687200 9.79035 -3.89634 27.6377 -2.62515 -38.8783 33.1755 25.9352 30.8382 -24.4278 TIMING: 3687200 CPU: 11651, 0.00317909/step Wall: 11651, 0.00317909/step, 1.15931 hours remaining, 237.136719 MB of memory in use. ENERGY: 3687200 3956.2489 20424.8669 14429.4921 242.3283 -203111.6138 2833.3912 0.0000 0.0000 51934.1778 -109291.1085 298.4664 -161225.2863 -108930.8867 299.4144 68.3005 99.7752 762353.6038 -17.6524 -17.8386 PRESSURE: 3687400 -149.115 -181.09 -21.2539 -181.091 384.589 -24.124 -21.2548 -24.1234 -58.567 GPRESSURE: 3687400 -42.9104 -164.679 6.00722 -40.3439 378.317 40.4873 -170.746 49.0355 -52.1959 PRESSAVG: 3687400 -40.3607 -17.8616 4.70967 -17.8616 51.5177 35.4359 4.70962 35.4359 29.1492 GPRESSAVG: 3687400 -40.977 -16.3504 4.41022 -19.2979 51.1096 35.4487 4.89163 38.5115 30.1051 TIMING: 3687400 CPU: 11651.7, 0.00317965/step Wall: 11651.7, 0.00317965/step, 1.15934 hours remaining, 237.136719 MB of memory in use. ENERGY: 3687400 4005.3652 20419.5604 14435.8065 256.0995 -203651.1297 3034.2165 0.0000 0.0000 52219.2570 -109280.8245 300.1048 -161500.0815 -108917.6843 299.6200 58.9692 94.4036 762251.4881 13.4354 13.4125 PRESSURE: 3687600 -345.892 19.3939 -27.3578 19.3929 -438.475 40.3845 -27.3578 40.3851 -309.843 GPRESSURE: 3687600 -330.033 -40.3752 78.5915 -7.36327 -372.698 -9.8707 64.1122 46.7551 -291.892 PRESSAVG: 3687600 -11.598 40.9507 -13.6619 40.9507 4.7009 22.2803 -13.6619 22.2803 -1.86614 GPRESSAVG: 3687600 -12.1755 39.0759 -13.3898 40.4823 4.47376 21.6437 -12.647 20.7103 -0.903908 TIMING: 3687600 CPU: 11652.3, 0.00322194/step Wall: 11652.3, 0.00322194/step, 1.17458 hours remaining, 237.136719 MB of memory in use. ENERGY: 3687600 4087.9932 20357.2936 14396.4981 233.1324 -202932.1620 2472.7132 0.0000 0.0000 52177.6617 -109206.8698 299.8657 -161384.5315 -108847.9151 300.1479 -364.7366 -331.5410 761884.4035 -2.9211 -2.8685 PRESSURE: 3687800 -262.705 13.012 -71.9492 13.0112 -96.8314 -57.3774 -71.95 -57.3762 -280.629 GPRESSURE: 3687800 -234.313 -75.9361 -68.6577 -3.55976 -78.1496 -58.8167 -7.47615 30.3086 -235.081 PRESSAVG: 3687800 37.4163 -6.21375 24.0216 -6.21377 3.08885 -36.8668 24.0216 -36.8669 6.72304 GPRESSAVG: 3687800 38.7212 -4.06459 25.0629 -7.15591 3.39711 -35.7657 23.0095 -36.888 5.26601 TIMING: 3687800 CPU: 11652.9, 0.0031731/step Wall: 11652.9, 0.0031731/step, 1.15659 hours remaining, 237.136719 MB of memory in use. ENERGY: 3687800 4002.9178 20709.2917 14443.7566 245.4207 -202849.2309 2279.5947 0.0000 0.0000 52061.1766 -109107.0727 299.1963 -161168.2494 -108755.4157 299.7979 -213.3886 -182.5146 762660.3586 15.7427 15.7948 PRESSURE: 3688000 -63.6434 81.1137 248.724 81.1135 104.899 26.3031 248.724 26.3027 -273.893 GPRESSURE: 3688000 -66.744 6.02577 334.787 -51.5732 167.254 18.3144 264.982 -27.428 -261.06 PRESSAVG: 3688000 34.7902 -17.181 22.8831 -17.181 6.48596 -32.928 22.8831 -32.928 -20.5231 GPRESSAVG: 3688000 35.4799 -17.0383 23.3132 -17.664 5.06261 -32.44 21.482 -33.2191 -19.6151 TIMING: 3688000 CPU: 11653.6, 0.00319844/step Wall: 11653.6, 0.00319844/step, 1.16565 hours remaining, 237.136719 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: 3688000 4073.9630 20569.0884 14418.6415 266.3120 -203041.8315 2660.4464 0.0000 0.0000 52175.2067 -108878.1735 299.8516 -161053.3802 -108510.4080 299.8457 -77.5458 -53.5166 763040.8249 6.9177 6.9758 PRESSURE: 3688200 0.460339 -224.5 -254.617 -224.501 -61.674 -5.41133 -254.617 -5.41052 -176.404 GPRESSURE: 3688200 -39.8334 -81.4738 -230.517 -196.024 55.7331 -43.4761 -209.668 75.9152 -164.358 PRESSAVG: 3688200 17.3547 -20.9013 14.5353 -20.9014 -29.9078 -17.8763 14.5353 -17.8763 9.45105 GPRESSAVG: 3688200 16.3858 -20.9189 13.6499 -20.4238 -29.2828 -17.7983 15.9872 -18.7595 9.96871 TIMING: 3688200 CPU: 11654.2, 0.003186/step Wall: 11654.2, 0.003186/step, 1.16094 hours remaining, 237.136719 MB of memory in use. ENERGY: 3688200 3993.1237 20614.9857 14491.9839 259.2036 -203031.8401 2613.9689 0.0000 0.0000 52190.7558 -108867.8184 299.9410 -161058.5742 -108508.5483 300.3266 -79.2059 -49.4860 763060.9236 -1.0340 -0.9761 LDB: ============= START OF LOAD BALANCING ============== 11666.7 LDB: ============== END OF LOAD BALANCING =============== 11666.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11666.8 LDB: ============= START OF LOAD BALANCING ============== 11667.1 LDB: Largest compute 7026 load 0.033049 is 16.9% of average load 0.195647 LDB: Average compute 0.004355 is 2.2% of average load 0.195647 LDB: TIME 11667.1 LOAD: AVG 0.195647 MAX 0.214556 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.684 MB LDB: TIME 11667.1 LOAD: AVG 0.195647 MAX 0.214556 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.684 MB LDB: TIME 11667.1 LOAD: AVG 0.195647 MAX 0.214556 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.684 MB LDB: ============== END OF LOAD BALANCING =============== 11667.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11667.1 PRESSURE: 3688400 -202.603 157.879 25.8275 157.879 -74.1629 -45.1279 25.8272 -45.1271 -514.115 GPRESSURE: 3688400 -190.153 30.5365 36.4876 223.41 -52.7619 39.0615 8.90774 -152.992 -475.189 PRESSAVG: 3688400 1.21651 25.8101 22.3528 25.8101 -39.1397 -15.8531 22.3528 -15.8531 6.57834 GPRESSAVG: 3688400 2.13571 24.6421 22.8786 26.1846 -38.2064 -16.273 21.3161 -15.4468 4.58508 TIMING: 3688400 CPU: 11654.9, 0.003235/step Wall: 11654.9, 0.003235/step, 1.17862 hours remaining, 237.191406 MB of memory in use. ENERGY: 3688400 3985.4236 20541.9334 14473.7023 247.3155 -203145.9781 2590.8455 0.0000 0.0000 52285.9641 -109020.7937 300.4882 -161306.7578 -108654.9719 300.3065 -263.6269 -239.3679 763575.6630 -10.4483 -10.4952 PRESSURE: 3688600 510.042 89.6184 -71.8001 89.6185 -181.233 66.7386 -71.8006 66.7382 430.009 GPRESSURE: 3688600 569.447 122.064 -22.0771 184.585 -176.507 152.348 -89.5937 91.6754 440.042 PRESSAVG: 3688600 26.0529 32.1503 30.7577 32.1503 6.94896 58.9756 30.7577 58.9756 11.4853 GPRESSAVG: 3688600 26.2353 33.7212 28.9249 30.1845 6.50054 58.4356 31.2315 61.5556 11.8944 TIMING: 3688600 CPU: 11655.5, 0.00319416/step Wall: 11655.5, 0.00319416/step, 1.16356 hours remaining, 237.261719 MB of memory in use. ENERGY: 3688600 3951.1912 20713.4212 14495.5500 253.6350 -203399.8544 2767.7489 0.0000 0.0000 52023.4354 -109194.8728 298.9794 -161218.3083 -108847.8131 300.0471 252.9391 277.6608 761419.1467 14.8290 14.8767 PRESSURE: 3688800 -37.0246 -13.4912 -5.05095 -13.491 18.1224 -188.725 -5.05135 -188.725 78.4297 GPRESSURE: 3688800 -57.3677 -89.6126 21.1559 35.089 103.542 -263.118 -54.2012 -149.565 106.296 PRESSAVG: 3688800 72.4606 16.5682 -6.72535 16.5682 -23.3834 5.49991 -6.72531 5.4999 7.88396 GPRESSAVG: 3688800 71.3701 15.9239 -5.18592 20.0695 -22.7048 6.37217 -8.19158 3.63696 8.95072 TIMING: 3688800 CPU: 11656.1, 0.00318318/step Wall: 11656.1, 0.00318318/step, 1.15938 hours remaining, 237.261719 MB of memory in use. ENERGY: 3688800 4006.9069 20617.0372 14416.5762 249.9068 -203068.9862 2642.4212 0.0000 0.0000 52144.2880 -108991.8500 299.6739 -161136.1380 -108632.8841 300.2366 19.8425 50.8231 762351.9395 18.9871 19.2054 PRESSURE: 3689000 -225.334 -135.53 37.0045 -135.531 38.0609 59.5121 37.0048 59.5124 69.6524 GPRESSURE: 3689000 -182.795 -123.22 -4.93995 -108.764 14.323 136.315 65.5731 220.871 119.522 PRESSAVG: 3689000 1.46609 14.4255 0.872131 14.4255 7.60628 -20.5078 0.872137 -20.5077 -2.89123 GPRESSAVG: 3689000 1.91693 12.9133 -0.406839 13.0991 8.03704 -21.2517 4.19672 -21.3697 -3.86925 TIMING: 3689000 CPU: 11656.8, 0.00317341/step Wall: 11656.8, 0.00317341/step, 1.15565 hours remaining, 237.261719 MB of memory in use. ENERGY: 3689000 4053.4310 20599.6203 14501.2849 230.4172 -203487.3401 2712.7069 0.0000 0.0000 52125.4875 -109264.3923 299.5659 -161389.8798 -108897.8238 299.9482 -39.2070 -16.3165 761400.0424 2.0604 2.0282 PRESSURE: 3689200 -116.869 -113.09 -47.4282 -113.089 46.8999 -128.569 -47.4285 -128.569 295.7 GPRESSURE: 3689200 -151.87 -57.063 -72.1377 13.8182 150.086 -19.507 -55.4317 3.53381 300.611 PRESSAVG: 3689200 -48.5856 -17.3479 13.057 -17.3479 19.2662 -61.2915 13.057 -61.2915 -2.32209 GPRESSAVG: 3689200 -47.9126 -16.5908 14.2496 -17.0464 18.5105 -61.7422 11.2761 -58.6569 -2.36281 TIMING: 3689200 CPU: 11657.4, 0.00317977/step Wall: 11657.4, 0.00317977/step, 1.15779 hours remaining, 237.261719 MB of memory in use. ENERGY: 3689200 4025.8224 20529.8867 14466.7195 236.9865 -203527.7827 2645.2195 0.0000 0.0000 52284.7114 -109338.4366 300.4810 -161623.1480 -108970.8727 299.7199 75.2436 99.6092 761534.6226 -10.5472 -10.5883 PRESSURE: 3689400 64.4895 133.627 134.038 133.626 -99.6304 260.057 134.038 260.057 -47.2825 GPRESSURE: 3689400 41.7674 44.3385 126.326 64.6644 -86.4356 282.561 86.3306 103.782 70.7373 PRESSAVG: 3689400 -10.3471 7.97299 4.93393 7.9729 7.97096 42.4209 4.93386 42.4209 -0.416271 GPRESSAVG: 3689400 -11.9091 10.325 4.94889 7.17597 8.4835 41.0557 5.66938 42.193 0.676831 TIMING: 3689400 CPU: 11658, 0.00318414/step Wall: 11658, 0.00318414/step, 1.1592 hours remaining, 237.261719 MB of memory in use. ENERGY: 3689400 4018.9933 20406.2305 14493.4473 251.1141 -203446.7912 2542.6930 0.0000 0.0000 52282.3346 -109451.9784 300.4673 -161734.3130 -109079.5004 299.4665 -27.4745 8.6897 761371.6289 -0.9308 -0.9162 PRESSURE: 3689600 -284.188 -34.5215 -69.1711 -34.5214 -133.945 -271.021 -69.1709 -271.021 -66.9583 GPRESSURE: 3689600 -200.795 77.9697 -85.642 -1.4125 -97.4589 -262.066 -40.1278 -336.335 -106.85 PRESSAVG: 3689600 4.93244 -8.2743 38.5596 -8.27431 0.339433 1.79579 38.5596 1.79587 2.27922 GPRESSAVG: 3689600 6.36898 -7.25744 38.6209 -7.18912 -0.149039 3.29475 38.046 -0.250531 0.729533 TIMING: 3689600 CPU: 11658.7, 0.00320017/step Wall: 11658.7, 0.00320017/step, 1.16486 hours remaining, 237.261719 MB of memory in use. ENERGY: 3689600 4068.0650 20535.5015 14406.8638 235.3412 -203026.7290 2449.7527 0.0000 0.0000 51907.3114 -109423.8935 298.3120 -161331.2049 -109074.4729 299.0928 -161.6968 -135.0345 762370.4727 2.5170 2.3165 PRESSURE: 3689800 100.773 92.7928 62.8287 92.7925 26.1724 95.1034 62.8299 95.1032 261.928 GPRESSURE: 3689800 198.157 -67.5983 63.3245 -10.5317 -1.95702 78.1664 61.7573 175.282 269.524 PRESSAVG: 3689800 18.192 -4.62333 10.2176 -4.62331 -1.78221 18.954 10.2176 18.9541 21.9472 GPRESSAVG: 3689800 18.0844 -7.56991 10.1569 -6.55027 -1.9913 19.4554 10.5053 18.3523 22.3804 TIMING: 3689800 CPU: 11659.3, 0.00315686/step Wall: 11659.3, 0.00315686/step, 1.14892 hours remaining, 237.261719 MB of memory in use. ENERGY: 3689800 4017.3461 20572.8030 14410.6315 254.7881 -203423.3630 2623.2044 0.0000 0.0000 52188.9026 -109355.6874 299.9303 -161544.5900 -108995.4314 299.2974 129.6245 155.2411 762646.7370 12.7857 12.8245 PRESSURE: 3690000 -139.5 72.0182 27.3716 72.0179 133.062 60.6515 27.3722 60.6503 -50.2036 GPRESSURE: 3690000 -181.178 68.9058 46.3354 82.6133 211.427 96.1761 -163.78 122.909 -6.90214 PRESSAVG: 3690000 2.18338 60.7224 71.1133 60.7224 -6.17371 -9.05503 71.1133 -9.05505 22.9428 GPRESSAVG: 3690000 1.07551 61.6163 70.2183 61.325 -5.94101 -9.23106 71.5258 -6.21371 23.3767 TIMING: 3690000 CPU: 11660, 0.00317564/step Wall: 11660, 0.00317564/step, 1.15558 hours remaining, 237.261719 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: 3690000 3968.2213 20585.6928 14359.4797 266.6078 -203228.4235 2426.4794 0.0000 0.0000 52270.0230 -109351.9195 300.3965 -161621.9425 -108991.7519 299.4609 -18.8807 7.7824 762933.3920 6.3175 6.1704 PRESSURE: 3690200 -147.57 -135.518 -67.1797 -135.517 115.557 -31.447 -67.1802 -31.4474 239.086 GPRESSURE: 3690200 -205.408 -122.105 89.2526 -47.5209 188.378 -76.3105 -23.852 -65.5579 301.386 PRESSAVG: 3690200 26.7453 88.1997 15.1573 88.1996 -13.5094 -28.3777 15.1573 -28.3776 30.4635 GPRESSAVG: 3690200 25.9278 87.5989 16.2522 90.123 -12.046 -28.5137 14.7261 -29.2729 29.3177 TIMING: 3690200 CPU: 11660.6, 0.00322145/step Wall: 11660.6, 0.00322145/step, 1.17207 hours remaining, 237.261719 MB of memory in use. ENERGY: 3690200 4010.1823 20543.0731 14384.2299 255.6934 -203303.9903 2509.0917 0.0000 0.0000 51905.4590 -109696.2609 298.3014 -161601.7199 -109341.5283 299.5173 69.0241 94.7852 760195.2601 14.5665 14.3998 PRESSURE: 3690400 -250.052 9.56221 -159.336 9.56247 161.265 -21.8632 -159.336 -21.8631 1.20232 GPRESSURE: 3690400 -226.757 64.237 -155.669 150.917 168.981 30.227 -75.2219 31.1411 62.2571 PRESSAVG: 3690400 -40.2917 42.8651 9.26539 42.8651 35.7529 40.2349 9.26532 40.2349 40.9603 GPRESSAVG: 3690400 -40.1015 42.3348 9.76662 41.8832 33.5045 40.6269 9.95482 39.3226 42.5673 TIMING: 3690400 CPU: 11661.2, 0.00321003/step Wall: 11661.2, 0.00321003/step, 1.16774 hours remaining, 237.261719 MB of memory in use. ENERGY: 3690400 3912.0407 20553.1397 14416.5998 252.5798 -203677.2135 2686.3017 0.0000 0.0000 52150.7601 -109705.7917 299.7111 -161856.5518 -109347.0049 298.8253 -29.1950 1.4938 758683.7878 12.1405 11.9901 PRESSURE: 3690600 365.808 26.9618 -248.223 26.9625 45.2899 -200.953 -248.223 -200.953 118.652 GPRESSURE: 3690600 371.037 108.641 -157.326 -103.673 96.0285 -234.639 -95.6618 -90.1221 155.249 PRESSAVG: 3690600 19.2063 22.3228 35.5444 22.3227 -25.8992 -50.7154 35.5444 -50.7155 -0.172867 GPRESSAVG: 3690600 18.824 21.9774 35.7809 21.271 -25.1723 -50.8252 34.9365 -50.1552 -1.14127 TIMING: 3690600 CPU: 11661.9, 0.00319396/step Wall: 11661.9, 0.00319396/step, 1.16171 hours remaining, 237.261719 MB of memory in use. ENERGY: 3690600 3979.1063 20452.7908 14427.8846 238.4684 -203615.0803 2685.0927 0.0000 0.0000 52124.5951 -109707.1424 299.5608 -161831.7375 -109342.3645 299.2679 176.5834 207.4382 760618.1043 -2.2886 -2.4965 PRESSURE: 3690800 147.013 -35.7361 -210.496 -35.7349 244.791 329.426 -210.497 329.427 333.987 GPRESSURE: 3690800 226.897 -39.2058 -277.779 -18.3958 226.409 300.375 -107.258 305.882 357.07 PRESSAVG: 3690800 43.757 20.0972 -4.55844 20.0972 -5.92028 -32.6692 -4.55847 -32.6692 -4.2872 GPRESSAVG: 3690800 43.8385 19.0809 -6.65945 21.3463 -5.78954 -34.6928 -1.5492 -31.9406 -4.37739 TIMING: 3690800 CPU: 11662.5, 0.00319033/step Wall: 11662.5, 0.00319033/step, 1.16022 hours remaining, 237.261719 MB of memory in use. ENERGY: 3690800 3979.5400 20641.5187 14388.2796 244.0895 -203775.4209 2784.5160 0.0000 0.0000 51921.5728 -109815.9045 298.3940 -161737.4772 -109448.8767 298.5332 241.9304 270.1254 761202.6549 11.1832 11.2238 PRESSURE: 3691000 -188.487 -28.1891 13.7949 -28.1888 -115.474 -27.4471 13.7956 -27.4457 -76.8283 GPRESSURE: 3691000 -147.664 -41.6276 -0.206124 -62.5684 -62.5003 -3.77651 -41.1164 -87.5695 -81.2772 PRESSAVG: 3691000 41.9721 -29.3372 1.66306 -29.3372 -45.2602 -15.8151 1.663 -15.8151 -14.9971 GPRESSAVG: 3691000 42.4104 -27.3747 1.5524 -31.3182 -46.6109 -14.0294 -0.314443 -14.26 -14.3974 TIMING: 3691000 CPU: 11663.2, 0.00317295/step Wall: 11663.2, 0.00317295/step, 1.15372 hours remaining, 237.261719 MB of memory in use. ENERGY: 3691000 3990.7330 20478.6361 14336.4942 242.6483 -203102.0280 2242.5455 0.0000 0.0000 52236.9714 -109573.9995 300.2066 -161810.9709 -109202.9509 299.0455 -126.9298 -97.1471 761681.1527 -6.0951 -6.1993 PRESSURE: 3691200 394.817 46.0754 95.3283 46.0749 -180.351 -30.3635 95.3283 -30.364 -267.266 GPRESSURE: 3691200 387.561 22.1191 146.148 -52.1856 -170.683 25.1925 156.644 -27.8777 -166.049 PRESSAVG: 3691200 71.7226 52.1513 11.5377 52.1513 -75.5846 46.5035 11.5376 46.5035 19.6591 GPRESSAVG: 3691200 71.8845 49.912 12.6399 54.4889 -74.5025 45.9181 10.4619 44.4322 18.7329 TIMING: 3691200 CPU: 11663.8, 0.00317737/step Wall: 11663.8, 0.00317737/step, 1.15515 hours remaining, 237.261719 MB of memory in use. ENERGY: 3691200 4010.5384 20589.1834 14456.6526 237.5876 -203458.9190 2581.3493 0.0000 0.0000 52010.5893 -109573.0184 298.9056 -161583.6077 -109214.5590 299.2938 -17.5998 16.9430 760125.6310 5.2657 5.3716 PRESSURE: 3691400 -45.6879 -33.6839 204.707 -33.684 204.999 -85.2641 204.707 -85.2631 -128.725 GPRESSURE: 3691400 37.3479 -84.8011 272.125 40.9548 190.464 -79.1307 86.2303 -62.7568 -110.985 PRESSAVG: 3691400 -65.9729 48.8912 -18.5502 48.8913 4.51016 12.3932 -18.5501 12.3932 9.90286 GPRESSAVG: 3691400 -65.1802 49.382 -18.2511 48.7927 3.69428 13.2466 -17.4304 11.3405 10.1357 TIMING: 3691400 CPU: 11664.4, 0.00314684/step Wall: 11664.4, 0.00314684/step, 1.14388 hours remaining, 237.261719 MB of memory in use. ENERGY: 3691400 3938.2610 20502.1631 14370.2833 223.5602 -203369.5047 2543.0157 0.0000 0.0000 52159.0120 -109633.2094 299.7586 -161792.2214 -109267.7201 299.1927 10.1954 38.9423 761457.2588 -17.1866 -17.1168 PRESSURE: 3691600 -177.561 -167.664 66.0735 -167.663 -6.48693 79.1308 66.0737 79.1315 -38.6559 GPRESSURE: 3691600 -179.706 -206.277 100.781 -89.9981 75.3888 68.2589 134.635 125.151 -51.1487 PRESSAVG: 3691600 -13.0431 -20.2884 1.07604 -20.2884 -5.42092 12.6397 1.07606 12.6397 -9.62104 GPRESSAVG: 3691600 -14.7984 -18.8409 0.605727 -22.9071 -3.96148 12.4798 1.05886 12.8951 -9.38569 TIMING: 3691600 CPU: 11665, 0.00317139/step Wall: 11665, 0.00317139/step, 1.15262 hours remaining, 237.261719 MB of memory in use. ENERGY: 3691600 4000.3859 20522.6881 14344.9945 261.5407 -203979.9783 2924.7361 0.0000 0.0000 52247.8610 -109677.7721 300.2692 -161925.6330 -109303.7492 299.5755 -74.2346 -51.8220 761888.8506 -9.3617 -9.3818 PRESSURE: 3691800 297.868 -164.918 124.531 -164.917 -254.184 113.416 124.53 113.415 123.119 GPRESSURE: 3691800 248.495 -178.996 142.349 -13.7901 -208.317 200.385 85.7694 108.064 214.149 PRESSAVG: 3691800 18.6977 -22.929 -27.9497 -22.9289 -18.5354 14.1539 -27.9498 14.1538 7.34621 GPRESSAVG: 3691800 19.3373 -22.9844 -28.3468 -21.6761 -19.2613 13.5282 -27.1849 15.2233 7.3816 TIMING: 3691800 CPU: 11665.7, 0.00318638/step Wall: 11665.7, 0.00318638/step, 1.1579 hours remaining, 237.261719 MB of memory in use. ENERGY: 3691800 4028.7075 20543.6850 14389.0591 257.9263 -203411.8977 2599.8918 0.0000 0.0000 51912.4804 -109680.1475 298.3417 -161592.6279 -109316.3053 299.1161 55.6009 84.7758 761050.0271 2.5028 2.4859 PRESSURE: 3692000 -0.794188 -82.3363 -108.886 -82.3359 216.484 -160.975 -108.886 -160.974 -147.883 GPRESSURE: 3692000 59.3156 -70.2929 -284.24 -81.9332 235.82 -75.726 -134.393 -115.298 -133.973 PRESSAVG: 3692000 61.0317 -1.56604 -62.7648 -1.56615 -57.7857 21.8973 -62.7648 21.8974 0.717007 GPRESSAVG: 3692000 61.1854 -1.67584 -62.5344 -1.11066 -57.7813 22.5172 -61.9043 20.4331 1.07239 TIMING: 3692000 CPU: 11666.3, 0.00313668/step Wall: 11666.3, 0.00313668/step, 1.13966 hours remaining, 237.261719 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: 3692000 3982.7208 20521.4608 14406.6069 252.1165 -203456.4125 2613.4167 0.0000 0.0000 52020.5061 -109659.5846 298.9626 -161680.0908 -109297.8096 298.9689 22.6023 53.7206 759388.7227 1.3210 1.4922 PRESSURE: 3692200 39.442 -60.6384 85.6395 -60.6387 4.63056 -197.507 85.6388 -197.508 242.773 GPRESSURE: 3692200 89.7834 -62.1332 61.7432 -152.057 -51.8853 -173.234 108.18 -82.9108 316.994 PRESSAVG: 3692200 63.8014 5.69555 -1.59635 5.69553 -78.7389 -1.21135 -1.59632 -1.21139 -7.71449 GPRESSAVG: 3692200 63.4405 5.61515 -1.14185 6.33621 -77.5438 -0.527977 -1.39932 1.03652 -9.10034 TIMING: 3692200 CPU: 11666.9, 0.00315428/step Wall: 11666.9, 0.00315428/step, 1.14588 hours remaining, 237.261719 MB of memory in use. ENERGY: 3692200 3953.6848 20529.8987 14445.9090 237.2779 -203488.2206 2889.1701 0.0000 0.0000 51935.7995 -109496.4806 298.4758 -161432.2800 -109149.9560 298.9735 95.6150 118.2973 760805.0289 -7.5507 -7.7345 LDB: ============= START OF LOAD BALANCING ============== 11679.5 LDB: ============== END OF LOAD BALANCING =============== 11679.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11679.5 LDB: ============= START OF LOAD BALANCING ============== 11679.8 LDB: Largest compute 7026 load 0.032085 is 16.4% of average load 0.195694 LDB: Average compute 0.004379 is 2.2% of average load 0.195694 LDB: TIME 11679.8 LOAD: AVG 0.195694 MAX 0.213523 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.18 MB LDB: TIME 11679.8 LOAD: AVG 0.195694 MAX 0.213523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.18 MB LDB: TIME 11679.8 LOAD: AVG 0.195694 MAX 0.213523 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.18 MB LDB: ============== END OF LOAD BALANCING =============== 11679.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11679.8 PRESSURE: 3692400 -71.5156 132.575 -84.9076 132.575 -248.122 -177.363 -84.9068 -177.363 -231.695 GPRESSURE: 3692400 -155.475 37.8631 -93.4552 150.48 -184.701 -133.631 -91.7411 -36.2106 -131.803 PRESSAVG: 3692400 21.157 -9.24102 -3.05986 -9.24099 17.0658 -31.2977 -3.05988 -31.2977 5.93117 GPRESSAVG: 3692400 20.1011 -8.23068 -3.61807 -11.0739 15.1399 -32.6338 -5.25234 -32.5444 8.45388 TIMING: 3692400 CPU: 11667.6, 0.00322538/step Wall: 11667.6, 0.00322538/step, 1.17153 hours remaining, 235.191406 MB of memory in use. ENERGY: 3692400 4045.2827 20323.2196 14470.8343 253.0586 -203100.0321 2598.5028 0.0000 0.0000 51779.1163 -109630.0179 297.5753 -161409.1341 -109268.0547 298.5459 -183.7773 -157.3264 762717.6627 14.7180 14.5649 PRESSURE: 3692600 -54.1815 98.0376 -158.186 98.0377 -90.9824 96.3161 -158.186 96.3168 129.034 GPRESSURE: 3692600 27.2488 77.1581 -98.3187 134.171 3.71315 9.7894 -293.18 35.6249 23.9642 PRESSAVG: 3692600 -24.6931 0.527946 -47.41 0.527953 -41.7786 -52.7101 -47.41 -52.7101 11.6913 GPRESSAVG: 3692600 -22.3077 0.883358 -47.0199 1.59308 -40.6234 -52.5235 -45.7042 -53.7847 8.91431 TIMING: 3692600 CPU: 11668.2, 0.00315255/step Wall: 11668.2, 0.00315255/step, 1.1449 hours remaining, 235.394531 MB of memory in use. ENERGY: 3692600 3960.7194 20449.4637 14408.7890 251.1441 -203403.4895 2701.1883 0.0000 0.0000 52005.4645 -109626.7206 298.8761 -161632.1850 -109258.1602 298.6171 -5.3767 18.3087 762339.8678 -18.2601 -18.0056 PRESSURE: 3692800 -34.864 -54.5047 -258.143 -54.5048 -108.72 162.454 -258.142 162.454 401.267 GPRESSURE: 3692800 -4.55205 84.5151 -211.015 -99.5019 -35.7455 155.438 -191.601 187.646 374.978 PRESSAVG: 3692800 -4.6708 19.0665 -21.7361 19.0666 21.8324 -60.7302 -21.736 -60.7303 -8.94117 GPRESSAVG: 3692800 -5.07369 18.2251 -23.5575 21.0144 22.1984 -59.1169 -23.7469 -60.2784 -8.83499 TIMING: 3692800 CPU: 11668.9, 0.00317434/step Wall: 11668.9, 0.00317434/step, 1.15264 hours remaining, 235.394531 MB of memory in use. ENERGY: 3692800 3982.4252 20555.7902 14372.7825 240.6507 -203302.9342 2590.4659 0.0000 0.0000 52251.2615 -109309.5583 300.2887 -161560.8197 -108954.2581 298.8588 85.8941 111.5600 763236.0622 2.7401 2.7632 PRESSURE: 3693000 -200.132 -82.3523 97.6602 -82.3532 68.4705 93.0609 97.6598 93.0616 -236.642 GPRESSURE: 3693000 -103.221 -99.6697 89.9462 -22.5292 39.819 58.5673 83.1523 181.251 -214.765 PRESSAVG: 3693000 11.1351 14.7511 -19.374 14.751 -17.3338 27.8269 -19.374 27.8268 -4.42268 GPRESSAVG: 3693000 11.2087 13.9944 -18.1548 15.5744 -17.6885 26.6189 -17.7992 27.544 -3.79228 TIMING: 3693000 CPU: 11669.5, 0.00316008/step Wall: 11669.5, 0.00316008/step, 1.14729 hours remaining, 235.394531 MB of memory in use. ENERGY: 3693000 3971.4893 20534.9659 14497.3171 248.6144 -202956.3967 2403.4201 0.0000 0.0000 51993.7745 -109306.8154 298.8089 -161300.5899 -108945.8572 299.4316 -122.7678 -92.7225 762048.5788 -3.5405 -3.4240 PRESSURE: 3693200 -16.4126 -114.185 71.3161 -114.186 163.429 -100.999 71.3162 -100.999 -66.7532 GPRESSURE: 3693200 40.9037 -133.099 19.687 -104.851 158.589 -123.517 26.5768 -89.7451 -23.1439 PRESSAVG: 3693200 5.37301 -94.5074 11.3945 -94.5075 33.9764 39.7363 11.3944 39.7364 -7.93238 GPRESSAVG: 3693200 5.35025 -94.8444 11.2274 -96.8314 33.5444 38.2374 10.9347 42.2016 -7.06711 TIMING: 3693200 CPU: 11670.1, 0.00316338/step Wall: 11670.1, 0.00316338/step, 1.14831 hours remaining, 235.394531 MB of memory in use. ENERGY: 3693200 4001.2245 20374.3447 14459.7285 233.1039 -203056.3160 2447.6607 0.0000 0.0000 52276.8191 -109263.4345 300.4356 -161540.2537 -108896.8887 299.2057 26.7546 58.7830 762911.8504 10.4724 10.6092 PRESSURE: 3693400 222.847 -65.846 18.138 -65.845 70.7791 41.4588 18.138 41.459 257.01 GPRESSURE: 3693400 292.44 -77.2053 -48.4627 -73.5116 101.583 -81.0457 10.1368 148.055 235.509 PRESSAVG: 3693400 11.6738 -36.3422 -26.6781 -36.3421 -28.7013 29.4901 -26.6781 29.49 -3.09994 GPRESSAVG: 3693400 13.1203 -34.3021 -27.7466 -35.6899 -29.2628 30.3671 -25.748 27.8729 -4.35224 TIMING: 3693400 CPU: 11670.8, 0.00315704/step Wall: 11670.8, 0.00315704/step, 1.14583 hours remaining, 235.460938 MB of memory in use. ENERGY: 3693400 4014.1007 20441.1771 14344.6125 260.2601 -203541.5895 2982.1960 0.0000 0.0000 52234.1009 -109265.1423 300.1901 -161499.2432 -108900.8774 299.9066 183.5453 209.8441 762615.6752 -6.7091 -6.8316 PRESSURE: 3693600 -33.693 41.2596 -28.6833 41.2599 -264.782 89.7761 -28.6843 89.7762 -339.88 GPRESSURE: 3693600 -81.5184 53.6697 -78.912 36.4618 -209.57 50.5645 -50.3828 117.533 -282.09 PRESSAVG: 3693600 64.9105 11.6904 18.5991 11.6905 -24.0423 -6.79983 18.599 -6.79985 20.6229 GPRESSAVG: 3693600 63.2689 9.07034 18.8427 10.8975 -22.9302 -7.2171 18.5033 -7.14123 21.2764 TIMING: 3693600 CPU: 11671.4, 0.00317047/step Wall: 11671.4, 0.00317047/step, 1.15053 hours remaining, 235.460938 MB of memory in use. ENERGY: 3693600 4058.1646 20300.6848 14480.5923 246.4837 -203291.4317 2764.8203 0.0000 0.0000 52033.7532 -109406.9328 299.0387 -161440.6860 -109034.9699 299.5009 -212.7851 -191.0596 762049.0742 20.4970 20.5384 PRESSURE: 3693800 381.558 -266.12 30.2238 -266.119 148.036 -32.7818 30.2241 -32.7814 67.5023 GPRESSURE: 3693800 374.609 -259.743 7.39557 -200.928 135.95 5.05055 -1.26817 -148.79 144.151 PRESSAVG: 3693800 48.5368 14.9243 -6.3424 14.9243 -44.4525 -13.1219 -6.34238 -13.1219 -18.1664 GPRESSAVG: 3693800 47.6595 16.339 -7.07791 14.2256 -45.2527 -13.1094 -4.77167 -14.3008 -15.7842 TIMING: 3693800 CPU: 11672, 0.0031571/step Wall: 11672, 0.0031571/step, 1.1455 hours remaining, 235.664062 MB of memory in use. ENERGY: 3693800 3955.2908 20356.6690 14290.3139 263.0339 -203053.1859 2504.8182 0.0000 0.0000 52072.0732 -109610.9869 299.2589 -161683.0601 -109248.3583 299.0155 199.0319 218.2368 762100.2817 -4.6940 -4.4591 PRESSURE: 3694000 126.516 193.359 68.5807 193.358 32.4486 -71.9031 68.5805 -71.9034 264.094 GPRESSURE: 3694000 165.811 -9.1259 99.7352 138.787 75.5686 -96.6598 70.921 -108.616 275.674 PRESSAVG: 3694000 21.7543 -35.4151 -9.1525 -35.4152 27.148 -29.5093 -9.15261 -29.5093 39.336 GPRESSAVG: 3694000 21.8949 -37.3669 -8.2591 -32.8399 28.7144 -28.2693 -11.093 -28.9635 37.4748 TIMING: 3694000 CPU: 11672.6, 0.00315442/step Wall: 11672.6, 0.00315442/step, 1.14435 hours remaining, 235.652344 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: 3694000 3968.3200 20411.0133 14352.4888 238.4187 -203291.5135 2541.1827 0.0000 0.0000 52302.1959 -109477.8941 300.5814 -161780.0901 -109114.3258 298.7970 141.0195 172.3511 761076.6414 29.4127 29.3614 PRESSURE: 3694200 -526.952 -140.331 -142.948 -140.332 9.45209 195.393 -142.948 195.392 -254.095 GPRESSURE: 3694200 -461.291 -177.465 -181.514 -86.5994 36.4461 197.259 -94.8532 141.956 -253.908 PRESSAVG: 3694200 26.9728 -17.2369 25.6489 -17.2369 -17.1861 23.7215 25.649 23.7214 -4.43728 GPRESSAVG: 3694200 28.4533 -17.2291 26.4001 -19.9108 -18.1254 22.2177 24.1674 25.641 -4.64065 TIMING: 3694200 CPU: 11673.3, 0.00316712/step Wall: 11673.3, 0.00316712/step, 1.14879 hours remaining, 235.652344 MB of memory in use. ENERGY: 3694200 3967.9446 20450.9351 14438.0201 256.0234 -202853.0127 2133.9036 0.0000 0.0000 52143.4879 -109462.6978 299.6693 -161606.1857 -109090.0478 299.0640 -257.1983 -226.2508 761317.7855 1.7832 1.8958 PRESSURE: 3694400 230.819 187.922 120.644 187.922 -187.876 137.067 120.644 137.066 117.6 GPRESSURE: 3694400 236.759 111.113 148.461 68.1789 -107.315 186.462 49.3337 63.9046 129.287 PRESSAVG: 3694400 71.1037 -12.9026 2.03729 -12.9025 -8.90299 16.9934 2.0373 16.9935 -8.25579 GPRESSAVG: 3694400 70.5838 -12.2548 3.10414 -11.3791 -8.6377 17.06 3.28564 15.3769 -7.80528 TIMING: 3694400 CPU: 11673.9, 0.00318825/step Wall: 11673.9, 0.00318825/step, 1.15627 hours remaining, 235.652344 MB of memory in use. ENERGY: 3694400 3983.2326 20542.2980 14424.8844 241.2867 -203575.9152 3064.1706 0.0000 0.0000 52001.5851 -109318.4579 298.8538 -161320.0429 -108955.1281 298.9951 53.5144 86.2437 761858.3283 17.9816 18.0469 PRESSURE: 3694600 70.704 -26.2514 189.226 -26.251 85.7013 -77.34 189.225 -77.3391 252.911 GPRESSURE: 3694600 62.6238 43.3453 252.253 1.89897 135.779 -87.5582 292.731 -88.0484 296.424 PRESSAVG: 3694600 45.5904 -8.94342 -5.00314 -8.94354 -55.8091 -9.53596 -5.00319 -9.53599 -0.0770381 GPRESSAVG: 3694600 45.8037 -6.07962 -7.08074 -7.82298 -55.2518 -10.4492 -3.53495 -7.16427 -0.552596 TIMING: 3694600 CPU: 11674.5, 0.00314982/step Wall: 11674.5, 0.00314982/step, 1.14216 hours remaining, 235.652344 MB of memory in use. ENERGY: 3694600 3938.5956 20688.6764 14341.3501 240.7267 -203710.7710 3004.1685 0.0000 0.0000 52162.2299 -109335.0237 299.7771 -161497.2537 -108975.7565 299.4016 136.4388 164.9422 761574.1832 -3.4319 -3.3336 PRESSURE: 3694800 62.5371 -379.314 -121.509 -379.314 84.524 25.3344 -121.509 25.3341 -166.877 GPRESSURE: 3694800 110.183 -458.735 -145.278 -384.702 102.073 -28.8673 -81.3596 -100.735 -161.999 PRESSAVG: 3694800 -10.2859 -1.36499 26.0522 -1.36491 -47.5875 49.0551 26.0522 49.0551 8.72074 GPRESSAVG: 3694800 -10.1837 -3.24054 25.986 -2.80217 -48.6242 51.0179 24.6058 46.626 9.50421 TIMING: 3694800 CPU: 11675.2, 0.00316084/step Wall: 11675.2, 0.00316084/step, 1.14598 hours remaining, 235.652344 MB of memory in use. ENERGY: 3694800 4051.0084 20459.4213 14394.9025 246.5950 -203635.3814 2840.7022 0.0000 0.0000 52281.5329 -109361.2191 300.4627 -161642.7520 -108997.8065 299.1127 -6.6053 16.7523 761507.9874 -16.3842 -16.4346 PRESSURE: 3695000 31.6827 51.768 -304.854 51.7684 -154.074 5.48851 -304.855 5.48887 -130.43 GPRESSURE: 3695000 44.1855 -69.314 -334.775 48.6235 -84.7568 -36.1363 -153.945 33.1297 -141.67 PRESSAVG: 3695000 0.33228 -22.4484 -32.4183 -22.4485 -23.735 -77.3041 -32.4184 -77.3042 -6.65657 GPRESSAVG: 3695000 -0.556868 -23.0483 -31.2118 -21.4225 -23.3543 -77.6987 -32.4153 -76.3557 -6.37528 TIMING: 3695000 CPU: 11675.8, 0.00315521/step Wall: 11675.8, 0.00315521/step, 1.14376 hours remaining, 235.652344 MB of memory in use. ENERGY: 3695000 3978.7923 20491.3919 14390.4000 232.6297 -202880.9432 2442.3494 0.0000 0.0000 52027.3394 -109318.0404 299.0018 -161345.3798 -108946.6562 298.9465 -84.2735 -60.7471 762975.8161 -10.0198 -10.0955 PRESSURE: 3695200 -346.031 -74.9812 158.623 -74.9821 -320.717 153.068 158.623 153.067 -137.432 GPRESSURE: 3695200 -347.602 22.4724 136.855 -23.0276 -262.305 232.035 216.382 149.944 -86.0041 PRESSAVG: 3695200 -49.8042 -38.2473 28.6081 -38.2473 15.8164 -27.5674 28.608 -27.5674 -3.91641 GPRESSAVG: 3695200 -49.2561 -37.2294 28.367 -38.7406 16.9434 -25.9494 27.4894 -25.6659 -5.5949 TIMING: 3695200 CPU: 11676.4, 0.00314045/step Wall: 11676.4, 0.00314045/step, 1.13824 hours remaining, 235.652344 MB of memory in use. ENERGY: 3695200 4101.7337 20374.8081 14418.3989 257.8622 -203047.2377 2558.6168 0.0000 0.0000 51954.6927 -109381.1253 298.5843 -161335.8180 -109016.1098 299.3035 -268.0598 -231.9705 764936.5686 -12.6347 -12.6359 PRESSURE: 3695400 -393.112 102.338 85.942 102.337 -353.074 -53.2167 85.942 -53.2171 205.567 GPRESSURE: 3695400 -341.068 118.039 65.4845 73.0295 -340.593 -33.3181 -19.0587 -153.667 222.892 PRESSAVG: 3695400 -10.2771 -57.0071 53.4491 -57.0071 10.7136 -4.33022 53.4491 -4.33022 -1.67068 GPRESSAVG: 3695400 -9.29855 -56.4074 52.0892 -57.0796 8.37727 -5.7005 55.5453 -6.539 -1.01212 TIMING: 3695400 CPU: 11677.1, 0.00314217/step Wall: 11677.1, 0.00314217/step, 1.13869 hours remaining, 235.652344 MB of memory in use. ENERGY: 3695400 4009.2546 20397.0336 14443.0427 234.7438 -202999.9986 2667.3672 0.0000 0.0000 52044.9149 -109203.6420 299.1028 -161248.5569 -108840.8792 299.0701 -180.2067 -152.9229 762610.8597 -0.4114 -0.6445 PRESSURE: 3695600 33.8358 83.7739 -164.668 83.7731 228.599 35.4784 -164.668 35.4773 -138.461 GPRESSURE: 3695600 89.4292 131.498 -156.524 132.684 181.872 -48.5629 -138.267 -7.28948 -81.3174 PRESSAVG: 3695600 -0.189337 -87.6165 -19.179 -87.6165 11.7595 -10.5614 -19.179 -10.5614 -4.04433 GPRESSAVG: 3695600 1.35425 -88.9947 -17.8072 -86.4376 11.0487 -11.0494 -20.3027 -9.05991 -4.81295 TIMING: 3695600 CPU: 11677.7, 0.00316433/step Wall: 11677.7, 0.00316433/step, 1.14654 hours remaining, 235.652344 MB of memory in use. ENERGY: 3695600 4046.8325 20572.5021 14361.0835 254.1021 -202949.2938 2550.8523 0.0000 0.0000 51932.3206 -109231.6007 298.4558 -161163.9212 -108868.9543 299.2730 41.3245 63.3278 763124.3341 2.5086 2.5300 PRESSURE: 3695800 -427.306 -7.76255 -25.0502 -7.76248 -13.3352 38.8159 -25.0498 38.8145 -66.1632 GPRESSURE: 3695800 -291.573 98.919 -41.4629 -73.15 -39.5659 126.659 -34.3654 14.7807 -107.457 PRESSAVG: 3695800 -6.25752 -3.74828 -19.1461 -3.74822 -9.6275 -33.4523 -19.1461 -33.4524 21.1568 GPRESSAVG: 3695800 -8.10714 -3.13138 -19.8258 -7.41541 -8.24895 -32.6836 -17.4726 -35.0556 21.0234 TIMING: 3695800 CPU: 11678.3, 0.00315761/step Wall: 11678.3, 0.00315761/step, 1.14393 hours remaining, 235.664062 MB of memory in use. ENERGY: 3695800 4049.2076 20487.9283 14424.2025 250.1128 -202755.5351 2227.5578 0.0000 0.0000 52197.8521 -109118.6741 299.9818 -161316.5261 -108749.5393 299.6893 -168.9348 -146.1985 763382.6785 1.7573 1.5558 PRESSURE: 3696000 -186.103 -60.7519 -186.867 -60.7514 -131.501 160.556 -186.866 160.557 -78.6049 GPRESSURE: 3696000 -218.974 69.7166 -232.605 -54.6606 -71.2914 160.848 -24.6016 49.4725 -13.9114 PRESSAVG: 3696000 -24.5626 53.3045 -18.9086 53.3045 14.1587 18.5715 -18.9086 18.5715 2.0843 GPRESSAVG: 3696000 -25.8346 53.476 -18.7953 56.0716 14.6307 19.2903 -19.0913 19.3372 2.90541 TIMING: 3696000 CPU: 11679, 0.003149/step Wall: 11679, 0.003149/step, 1.14064 hours remaining, 235.664062 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: 3696000 4011.6057 20525.6936 14451.6101 256.3812 -202875.9677 2325.0708 0.0000 0.0000 52036.4756 -109269.1306 299.0543 -161305.6062 -108911.3877 299.2104 -132.0696 -101.3922 763253.4568 -2.7732 -2.7661 PRESSURE: 3696200 86.9976 197.89 -38.1099 197.89 111.121 -33.4646 -38.1094 -33.4642 -89.8639 GPRESSURE: 3696200 188.873 159.912 35.9762 230.357 145.555 -11.3086 -98.0517 55.709 -115.271 PRESSAVG: 3696200 35.1365 -24.2888 -64.5928 -24.2888 23.6416 -9.54585 -64.5928 -9.54594 2.01898 GPRESSAVG: 3696200 35.9899 -23.7009 -64.3958 -24.041 23.1819 -10.8095 -63.9251 -10.5048 2.21163 TIMING: 3696200 CPU: 11679.6, 0.00315268/step Wall: 11679.6, 0.00315267/step, 1.14179 hours remaining, 235.664062 MB of memory in use. ENERGY: 3696200 3973.0061 20446.9831 14464.6173 264.5210 -203482.8905 2928.6364 0.0000 0.0000 52087.6439 -109317.4826 299.3484 -161405.1265 -108946.3298 299.0318 36.0850 73.0523 762729.3621 20.2657 20.4611 LDB: ============= START OF LOAD BALANCING ============== 11692.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11692.1 LDB: =============== DONE WITH MIGRATION ================ 11692.1 LDB: ============= START OF LOAD BALANCING ============== 11692.4 LDB: Largest compute 7075 load 0.033237 is 17.0% of average load 0.195549 LDB: Average compute 0.004383 is 2.2% of average load 0.195549 LDB: TIME 11692.4 LOAD: AVG 0.195549 MAX 0.211486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.766 MB LDB: TIME 11692.4 LOAD: AVG 0.195549 MAX 0.211486 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.93 MB LDB: TIME 11692.4 LOAD: AVG 0.195549 MAX 0.211486 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.93 MB LDB: ============== END OF LOAD BALANCING =============== 11692.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11692.5 PRESSURE: 3696400 -127.968 34.1415 -251.575 34.1416 114.15 -319.045 -251.575 -319.045 152.707 GPRESSURE: 3696400 -11.1281 23.8357 -238.296 -84.5167 134.692 -350.919 -322.531 -162.418 101.602 PRESSAVG: 3696400 -8.46044 34.2599 -22.3592 34.2599 -21.2052 -34.4182 -22.3593 -34.4182 18.1587 GPRESSAVG: 3696400 -8.24277 33.4304 -22.7691 31.3911 -21.525 -33.6944 -23.7178 -33.7673 18.3096 TIMING: 3696400 CPU: 11680.2, 0.00321815/step Wall: 11680.2, 0.00321815/step, 1.16533 hours remaining, 237.253906 MB of memory in use. ENERGY: 3696400 3989.1450 20578.0384 14475.2981 246.1113 -203095.4254 2563.2406 0.0000 0.0000 51894.6799 -109348.9121 298.2394 -161243.5920 -108997.7976 299.3626 46.2963 75.0550 762034.3245 -3.8357 -3.8194 PRESSURE: 3696600 365.89 128.052 21.5698 128.052 8.00975 109.099 21.5699 109.1 323.259 GPRESSURE: 3696600 342.086 134.276 84.8614 32.8521 51.2565 101.14 72.7937 11.1897 379.733 PRESSAVG: 3696600 -35.7494 3.00765 -28.0393 3.00762 17.2664 -29.6841 -28.0393 -29.6841 -1.44811 GPRESSAVG: 3696600 -36.7041 3.5461 -28.6283 4.37332 18.9894 -28.9867 -25.6355 -31.7824 -2.18767 TIMING: 3696600 CPU: 11680.9, 0.00316117/step Wall: 11680.9, 0.00316117/step, 1.14452 hours remaining, 237.324219 MB of memory in use. ENERGY: 3696600 3958.8148 20597.6104 14416.1104 266.5272 -203541.4792 2763.5207 0.0000 0.0000 51794.5361 -109744.3596 297.6639 -161538.8957 -109383.0525 298.6850 232.3864 257.6919 761947.0289 -6.6437 -6.6341 PRESSURE: 3696800 -204.232 37.0998 75.8369 37.1006 -506.161 -203.162 75.837 -203.164 -173.662 GPRESSURE: 3696800 -166.685 -8.20376 140.47 -12.1795 -451.603 -253.389 112.299 -13.292 -188.154 PRESSAVG: 3696800 79.1727 62.8634 -26.1239 62.8635 -95.8369 29.76 -26.1239 29.7601 -16.169 GPRESSAVG: 3696800 80.2226 62.497 -25.366 60.8483 -97.0199 28.6236 -27.9594 31.19 -15.9815 TIMING: 3696800 CPU: 11681.5, 0.00316477/step Wall: 11681.5, 0.00316477/step, 1.14565 hours remaining, 237.324219 MB of memory in use. ENERGY: 3696800 3988.5814 20654.4276 14398.5399 255.6347 -203382.9005 2577.5355 0.0000 0.0000 51633.4140 -109874.7674 296.7379 -161508.1813 -109516.8862 298.2349 -294.6847 -268.8141 762816.3556 -10.9444 -10.9262 PRESSURE: 3697000 249.368 52.8671 -56.2292 52.8666 123.713 -173.925 -56.2289 -173.924 503.699 GPRESSURE: 3697000 185.381 13.8034 -26.4254 -34.9177 243.216 -227.19 -189.282 -92.2507 520.019 PRESSAVG: 3697000 23.018 3.87977 -44.7671 3.87978 -54.813 -4.94793 -44.7671 -4.94791 15.8928 GPRESSAVG: 3697000 22.7262 2.22422 -45.7453 5.91306 -54.0187 -5.33651 -45.8098 -3.95837 15.5531 TIMING: 3697000 CPU: 11682.1, 0.00316079/step Wall: 11682.1, 0.00316079/step, 1.14403 hours remaining, 237.324219 MB of memory in use. ENERGY: 3697000 4039.1885 20478.6357 14455.0749 247.3541 -204072.3121 2921.9352 0.0000 0.0000 52235.2148 -109694.9089 300.1965 -161930.1236 -109335.0651 298.6867 292.2602 316.2054 760625.0063 -5.3007 -5.2465 PRESSURE: 3697200 35.554 -95.2458 -208.802 -95.2462 70.2181 61.0222 -208.802 61.0213 426.278 GPRESSURE: 3697200 72.162 -120.689 -244.756 33.8136 145.708 83.0713 -172.442 49.9564 398.074 PRESSAVG: 3697200 11.625 -19.7073 -60.5066 -19.7073 10.6858 -23.8921 -60.5067 -23.892 24.0524 GPRESSAVG: 3697200 12.5622 -17.7963 -60.9017 -19.2245 9.74467 -22.4164 -60.4087 -24.7735 24.0333 TIMING: 3697200 CPU: 11682.8, 0.00316117/step Wall: 11682.8, 0.00316117/step, 1.14399 hours remaining, 237.324219 MB of memory in use. ENERGY: 3697200 3968.3098 20613.4765 14409.1684 223.2492 -203375.4923 2584.3557 0.0000 0.0000 51930.0911 -109646.8416 298.4429 -161576.9327 -109288.0029 298.7057 177.3499 205.3146 761708.5067 15.4544 15.4467 PRESSURE: 3697400 148.852 27.595 -93.4581 27.5947 193.719 -91.1327 -93.4577 -91.1316 -253.62 GPRESSURE: 3697400 152.681 -56.9413 -126.247 -39.0688 216.389 -152.02 -48.6985 -120.708 -198.827 PRESSAVG: 3697400 33.257 2.04153 -7.94615 2.04148 -12.9745 -45.751 -7.94617 -45.751 -26.1513 GPRESSAVG: 3697400 31.2314 1.20171 -7.34252 1.25436 -12.2421 -47.1666 -6.0444 -44.0836 -25.0025 TIMING: 3697400 CPU: 11683.4, 0.00317577/step Wall: 11683.4, 0.00317577/step, 1.1491 hours remaining, 237.324219 MB of memory in use. ENERGY: 3697400 3894.7456 20323.3097 14396.6230 251.8311 -203424.3437 2551.1337 0.0000 0.0000 52187.6882 -109819.0123 299.9234 -162006.7005 -109438.8930 298.5315 29.6504 56.7476 761603.1858 -1.9563 -2.0044 PRESSURE: 3697600 -102.395 -102.289 45.2017 -102.289 158.351 25.8559 45.2015 25.8554 -462.021 GPRESSURE: 3697600 -61.2866 -158.584 42.6558 -171.468 156.5 10.0275 -0.346691 36.5387 -415.277 PRESSAVG: 3697600 5.8406 4.73837 2.40834 4.73833 58.7076 -9.10943 2.40825 -9.10941 19.7792 GPRESSAVG: 3697600 5.7948 5.17899 3.40138 5.02265 58.9459 -8.64945 -1.14471 -10.2586 19.4844 TIMING: 3697600 CPU: 11684, 0.00317019/step Wall: 11684, 0.00317019/step, 1.1469 hours remaining, 237.324219 MB of memory in use. ENERGY: 3697600 4005.3977 20519.4798 14430.7997 225.5907 -203417.1139 2689.2068 0.0000 0.0000 51846.8325 -109699.8067 297.9645 -161546.6392 -109343.4086 298.5314 -135.3550 -106.6878 763655.3174 28.1091 28.0750 PRESSURE: 3697800 426.086 82.9732 69.8819 82.972 273.912 -51.9064 69.8814 -51.9058 668.818 GPRESSURE: 3697800 532.988 36.9863 54.5679 73.5532 337.243 17.9938 178.865 -36.1667 590.78 PRESSAVG: 3697800 17.5152 8.92015 24.3953 8.92015 -23.6295 31.5294 24.3953 31.5294 7.01439 GPRESSAVG: 3697800 18.7643 7.12941 25.0407 9.14214 -24.326 33.1743 27.5686 29.3589 6.41008 TIMING: 3697800 CPU: 11684.7, 0.00316647/step Wall: 11684.7, 0.00316647/step, 1.14538 hours remaining, 237.324219 MB of memory in use. ENERGY: 3697800 4007.7982 20527.2708 14356.5057 245.2738 -203487.3152 2859.4171 0.0000 0.0000 51945.7957 -109545.2539 298.5332 -161491.0496 -109192.7481 298.7554 456.2718 487.0036 762649.6288 0.3000 0.2828 PRESSURE: 3698000 -59.2626 -283.983 128.333 -283.982 -47.4899 154.347 128.333 154.346 -45.9945 GPRESSURE: 3698000 -50.8121 -298.592 127.268 -294.005 16.2138 93.1133 136.176 148.457 -36.3215 PRESSAVG: 3698000 61.3261 -51.5958 49.2112 -51.5958 -42.3118 -5.04828 49.2112 -5.04828 -7.1849 GPRESSAVG: 3698000 60.8068 -50.2968 48.7259 -52.112 -42.5921 -6.85941 48.3132 -4.31747 -7.00898 TIMING: 3698000 CPU: 11685.3, 0.00317229/step Wall: 11685.3, 0.00317229/step, 1.14731 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: 3698000 3855.5599 20420.4398 14473.5412 244.0077 -203322.3386 2585.9622 0.0000 0.0000 52221.2941 -109521.5337 300.1165 -161742.8278 -109158.1311 298.8387 -50.9157 -23.6399 760689.2297 3.9431 3.7352 PRESSURE: 3698200 -337.693 -43.5983 267.215 -43.5981 -459.85 38.854 267.215 38.8539 -311.898 GPRESSURE: 3698200 -264.653 4.3682 269.105 -9.16015 -435.037 101.248 243.768 -30.6277 -307.583 PRESSAVG: 3698200 27.4206 -8.99308 7.51392 -8.99305 -40.4422 -14.2803 7.5139 -14.2804 2.9524 GPRESSAVG: 3698200 27.8443 -7.67028 6.92589 -9.90232 -41.0937 -13.746 8.10317 -14.6509 2.90885 TIMING: 3698200 CPU: 11685.9, 0.00314757/step Wall: 11685.9, 0.00314757/step, 1.1382 hours remaining, 237.324219 MB of memory in use. ENERGY: 3698200 4071.1744 20382.6202 14392.9334 230.6095 -203359.8464 2632.9110 0.0000 0.0000 52353.5142 -109296.0836 300.8764 -161649.5979 -108931.0658 299.6176 -369.8139 -335.7575 761692.8791 -3.3564 -3.4468 PRESSURE: 3698400 -267.457 1.2937 -105.194 1.29275 157.497 166.242 -105.194 166.242 -294.438 GPRESSURE: 3698400 -188.388 19.6943 -123.079 -77.5863 53.5191 172.897 42.5694 211.657 -197.902 PRESSAVG: 3698400 -63.8398 21.816 33.2566 21.816 70.4869 7.46699 33.2566 7.467 22.5469 GPRESSAVG: 3698400 -63.9713 21.0341 33.037 21.9733 70.1999 7.88079 31.641 6.46192 22.6096 TIMING: 3698400 CPU: 11686.6, 0.0031271/step Wall: 11686.6, 0.0031271/step, 1.13062 hours remaining, 237.324219 MB of memory in use. ENERGY: 3698400 4008.7396 20520.3314 14391.9259 255.0866 -202946.3951 2414.6361 0.0000 0.0000 52117.3986 -109238.2768 299.5194 -161355.6754 -108884.5806 299.8065 -134.7993 -110.9235 762318.5136 9.7313 9.6127 PRESSURE: 3698600 -127.041 76.6951 155.427 76.6949 -498.251 80.9204 155.427 80.9202 -203.898 GPRESSURE: 3698600 -87.6116 14.8263 80.9002 15.2861 -470.724 89.148 97.0634 30.3552 -192.997 PRESSAVG: 3698600 -38.5962 -29.158 44.5247 -29.158 3.00232 51.4753 44.5247 51.4753 6.7846 GPRESSAVG: 3698600 -38.7406 -31.1744 44.7023 -28.8295 4.07702 50.2635 45.4647 52.544 5.36498 TIMING: 3698600 CPU: 11687.2, 0.00313966/step Wall: 11687.2, 0.00313966/step, 1.13499 hours remaining, 237.324219 MB of memory in use. ENERGY: 3698600 4056.0844 20469.1213 14376.1675 247.2321 -203003.5224 2485.4135 0.0000 0.0000 52333.9268 -109035.5768 300.7638 -161369.5037 -108675.5055 299.7169 -276.3968 -250.4442 763876.9927 -9.6031 -9.7662 PRESSURE: 3698800 119.446 -140.367 -107.245 -140.366 -179.007 -98.4783 -107.245 -98.4786 180.89 GPRESSURE: 3698800 157.889 -137.831 -85.6577 -213.281 -69.5309 -105.559 16.4402 -72.7948 122.479 PRESSAVG: 3698800 83.2782 -51.2339 50.6108 -51.2338 -36.378 18.2025 50.6109 18.2025 0.373334 GPRESSAVG: 3698800 82.167 -49.7071 50.9974 -50.0044 -36.3944 18.845 50.0314 18.0549 1.85804 TIMING: 3698800 CPU: 11687.8, 0.00314693/step Wall: 11687.8, 0.00314693/step, 1.13744 hours remaining, 237.324219 MB of memory in use. ENERGY: 3698800 3986.4374 20454.5680 14435.3621 245.5742 -203246.0997 3004.9343 0.0000 0.0000 51985.9434 -109133.2803 298.7639 -161119.2238 -108778.2604 299.9779 40.4429 70.2791 762963.3662 15.7578 15.8769 PRESSURE: 3699000 -8.23412 61.6694 137.897 61.669 -93.5032 54.9332 137.896 54.9337 -86.0143 GPRESSURE: 3699000 4.5499 73.3584 218.096 50.2955 -100.949 72.5705 191.1 -70.8794 -17.091 PRESSAVG: 3699000 16.8504 -2.70024 62.3936 -2.7002 -1.87081 -15.9205 62.3936 -15.9205 -13.9367 GPRESSAVG: 3699000 17.5794 -3.76318 64.266 -2.65394 -2.55672 -15.6113 62.112 -14.7569 -13.4819 TIMING: 3699000 CPU: 11688.4, 0.00314096/step Wall: 11688.4, 0.00314096/step, 1.13511 hours remaining, 237.324219 MB of memory in use. ENERGY: 3699000 4064.9742 20453.9378 14391.7909 233.3077 -203493.6248 2849.1347 0.0000 0.0000 52123.3858 -109377.0936 299.5538 -161500.4794 -109027.1245 299.2774 -62.5838 -37.8301 762696.2087 0.3477 0.5136 PRESSURE: 3699200 -101.829 -44.369 -102.364 -44.3688 -206.003 -146.754 -102.365 -146.753 -46.2985 GPRESSURE: 3699200 -105.1 15.5067 17.1687 35.136 -152.418 -145.74 -180.266 -83.8159 -13.9974 PRESSAVG: 3699200 -13.97 -23.6182 35.765 -23.6182 7.12247 -12.1979 35.7649 -12.1979 -1.77597 GPRESSAVG: 3699200 -13.9528 -23.7334 34.5541 -23.3303 8.45558 -12.9025 35.7805 -12.306 -3.32222 TIMING: 3699200 CPU: 11689.1, 0.00314906/step Wall: 11689.1, 0.00314906/step, 1.13786 hours remaining, 237.324219 MB of memory in use. ENERGY: 3699200 4052.7348 20476.9564 14337.0279 241.3545 -202950.8057 2398.0796 0.0000 0.0000 51821.3874 -109623.2651 297.8182 -161444.6525 -109260.2064 298.6321 -118.0433 -90.5051 763232.2625 -2.8745 -2.9398 PRESSURE: 3699400 351.501 -77.2541 -259.57 -77.2554 132.638 -224.854 -259.57 -224.855 43.0878 GPRESSURE: 3699400 280.14 -56.1901 -252.706 60.185 225.773 -205.577 -170.777 -139.881 107.835 PRESSAVG: 3699400 2.96492 -63.4692 -18.4189 -63.4693 -12.2 9.28237 -18.4189 9.28236 -10.266 GPRESSAVG: 3699400 2.59535 -65.5567 -19.9541 -59.9966 -12.3698 9.93196 -17.3303 8.46148 -9.34007 TIMING: 3699400 CPU: 11689.7, 0.00314866/step Wall: 11689.7, 0.00314866/step, 1.13754 hours remaining, 237.324219 MB of memory in use. ENERGY: 3699400 3991.5795 20373.6820 14469.5877 245.0182 -203877.9183 3056.5260 0.0000 0.0000 51992.0742 -109749.4508 298.7992 -161741.5250 -109394.9175 297.9691 175.7424 204.5826 760395.6242 -6.5004 -6.3715 PRESSURE: 3699600 26.4792 -36.9825 267.089 -36.9817 -163.967 -103.108 267.09 -103.107 -29.6561 GPRESSURE: 3699600 51.3569 -15.6449 330.963 -81.8395 -54.6702 -134.12 230.216 -36.7781 -86.4473 PRESSAVG: 3699600 9.73458 -56.551 -17.9378 -56.5511 23.5421 -6.53687 -17.9379 -6.53695 2.46271 GPRESSAVG: 3699600 9.5977 -52.8969 -15.6808 -60.6106 23.695 -5.69791 -18.0689 -6.62569 2.93445 TIMING: 3699600 CPU: 11690.3, 0.00313782/step Wall: 11690.3, 0.00313782/step, 1.13345 hours remaining, 237.324219 MB of memory in use. ENERGY: 3699600 3974.8277 20500.9621 14366.8053 231.9097 -203204.8960 2541.8222 0.0000 0.0000 52012.0614 -109576.5078 298.9140 -161588.5691 -109219.1983 298.5546 -55.7146 -29.9202 761609.8975 11.9131 12.0757 PRESSURE: 3699800 -188.679 -206.786 -128.966 -206.787 -29.3858 -167.806 -128.965 -167.807 -171.453 GPRESSURE: 3699800 -92.3965 -169.222 -112.152 -238.953 -4.57909 -177.114 -12.2141 -62.9895 -202.905 PRESSAVG: 3699800 -16.9927 -24.2905 8.45719 -24.2905 2.15213 -46.4507 8.45719 -46.4507 -35.109 GPRESSAVG: 3699800 -17.3175 -26.606 6.74101 -24.0257 2.41112 -46.6052 9.62859 -45.0375 -35.5755 TIMING: 3699800 CPU: 11691, 0.00315128/step Wall: 11691, 0.00315128/step, 1.13814 hours remaining, 237.324219 MB of memory in use. ENERGY: 3699800 3977.1988 20368.7343 14474.1796 244.7221 -203213.8002 2593.5481 0.0000 0.0000 51825.3284 -109730.0889 297.8409 -161555.4173 -109370.3688 298.5997 -129.8392 -99.9602 760677.0372 -16.6499 -16.8273 PRESSURE: 3700000 -193.237 -151.512 -39.7935 -151.512 -41.4883 -45.0025 -39.7941 -45.0021 -185.897 GPRESSURE: 3700000 -144.847 -35.2929 9.33352 -121.229 -0.403095 -3.98143 101.482 6.92892 -171.47 PRESSAVG: 3700000 -15.5285 -40.3425 -36.405 -40.3425 20.1625 -6.33145 -36.405 -6.33163 6.36235 GPRESSAVG: 3700000 -14.5326 -39.7796 -35.7976 -39.449 18.803 -8.44149 -36.172 -6.61297 8.17747 TIMING: 3700000 CPU: 11691.6, 0.0031623/step Wall: 11691.6, 0.0031623/step, 1.14194 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: 3700000 3934.4808 20556.5651 14460.2225 247.6526 -203091.2117 2476.7117 0.0000 0.0000 51902.8074 -109512.7716 298.2861 -161415.5790 -109149.5033 298.5121 -140.2074 -105.5734 760005.3749 3.6654 4.1493 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.1.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 -168.231 -28.4818 172.791 -28.4814 153.305 216.294 172.791 216.294 91.3526 GPRESSURE: 3700200 -180.378 -108.212 78.1583 -11.5317 190.11 185.484 98.8641 196.709 156.101 PRESSAVG: 3700200 -33.184 -70.7451 -20.6277 -70.7451 26.3565 28.6728 -20.6277 28.6728 -22.6808 GPRESSAVG: 3700200 -33.6727 -70.1401 -20.33 -72.8062 27.497 30.9073 -23.1759 27.5759 -23.5748 TIMING: 3700200 CPU: 11692.2, 0.00327437/step Wall: 11692.2, 0.00327437/step, 1.18223 hours remaining, 237.449219 MB of memory in use. ENERGY: 3700200 3986.8085 20460.6049 14393.6168 246.6919 -203591.6344 2891.5567 0.0000 0.0000 51970.2814 -109642.0742 298.6739 -161612.3556 -109282.7040 298.3765 25.4756 55.2776 760099.5951 -9.8361 -9.9169 LDB: ============= START OF LOAD BALANCING ============== 11704.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11704.8 LDB: =============== DONE WITH MIGRATION ================ 11704.8 LDB: ============= START OF LOAD BALANCING ============== 11705.1 LDB: Largest compute 7057 load 0.031464 is 16.1% of average load 0.195618 LDB: Average compute 0.004377 is 2.2% of average load 0.195618 LDB: TIME 11705.1 LOAD: AVG 0.195618 MAX 0.212567 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.707 MB LDB: TIME 11705.1 LOAD: AVG 0.195618 MAX 0.212567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: TIME 11705.1 LOAD: AVG 0.195618 MAX 0.212567 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: ============== END OF LOAD BALANCING =============== 11705.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11705.1 PRESSURE: 3700400 -518.394 -232.473 -211.864 -232.473 -76.9045 -150.462 -211.863 -150.462 48.1342 GPRESSURE: 3700400 -474.881 -199.404 -245.1 -267.038 -6.64262 -120.459 -109.222 -202.505 5.38669 PRESSAVG: 3700400 -25.9118 -13.8671 -88.6986 -13.8671 6.50067 6.64791 -88.6985 6.64785 -5.45149 GPRESSAVG: 3700400 -26.8654 -15.2551 -89.4836 -12.8675 7.09124 6.59702 -87.7709 8.68064 -5.214 TIMING: 3700400 CPU: 11692.9, 0.0032157/step Wall: 11692.9, 0.0032157/step, 1.16087 hours remaining, 235.070312 MB of memory in use. ENERGY: 3700400 4015.2021 20486.3416 14502.2958 224.2202 -203062.3000 2461.3823 0.0000 0.0000 51860.5021 -109512.3559 298.0430 -161372.8580 -109146.7253 298.7454 -182.3882 -158.7124 762238.1238 -8.2875 -8.3294 PRESSURE: 3700600 -124.399 133.049 65.5409 133.049 -6.635 -150.846 65.5415 -150.846 -88.6355 GPRESSURE: 3700600 -79.5584 167.877 78.9784 87.6732 -32.7187 -128.143 -33.2548 -189.883 -20.2765 PRESSAVG: 3700600 62.947 8.07874 -15.8591 8.07864 -12.0871 25.7035 -15.8592 25.7036 -10.9021 GPRESSAVG: 3700600 64.6333 7.69234 -16.4317 9.94005 -12.1439 24.0891 -14.5569 25.3058 -11.991 TIMING: 3700600 CPU: 11693.5, 0.00314505/step Wall: 11693.5, 0.00314505/step, 1.13519 hours remaining, 235.070312 MB of memory in use. ENERGY: 3700600 4026.5476 20518.6762 14468.5642 251.0764 -203658.3309 2794.7460 0.0000 0.0000 52093.3029 -109505.4176 299.3809 -161598.7204 -109138.8232 299.1700 -73.2231 -44.1845 760681.1179 13.3193 13.4994 PRESSURE: 3700800 -410.277 41.9082 154.485 41.9098 -365.35 -83.3907 154.484 -83.3908 -194.235 GPRESSURE: 3700800 -326.574 128.205 59.4173 32.1008 -324.635 -48.4186 97.7048 -120.491 -222.117 PRESSAVG: 3700800 15.9402 20.7801 -64.0858 20.7801 -32.6351 26.9698 -64.0857 26.9698 3.20445 GPRESSAVG: 3700800 15.5479 24.8145 -62.9353 17.0792 -33.2942 28.2465 -65.2076 24.8055 4.63677 TIMING: 3700800 CPU: 11694.1, 0.00313389/step Wall: 11694.1, 0.00313389/step, 1.13099 hours remaining, 235.070312 MB of memory in use. ENERGY: 3700800 4049.0817 20602.8537 14387.2602 258.4802 -203234.9892 2576.1096 0.0000 0.0000 51895.9645 -109465.2392 298.2468 -161361.2038 -109109.2810 299.1423 -323.2873 -291.1090 762909.7874 -4.4968 -4.3698 PRESSURE: 3701000 185.634 -99.4414 -10.4751 -99.4419 259.938 314.376 -10.4763 314.376 382.271 GPRESSURE: 3701000 277.487 -91.5716 -77.8019 16.7536 303.017 227.134 58.698 287.081 310.852 PRESSAVG: 3701000 15.291 -19.0865 -12.42 -19.0866 -34.4519 54.3789 -12.4199 54.3789 6.69258 GPRESSAVG: 3701000 14.9553 -21.4904 -13.5105 -16.2102 -34.277 52.8015 -12.8006 57.075 6.18278 TIMING: 3701000 CPU: 11694.8, 0.00314391/step Wall: 11694.8, 0.00314392/step, 1.13443 hours remaining, 235.070312 MB of memory in use. ENERGY: 3701000 4002.7210 20507.9759 14448.1256 254.8177 -203636.1476 2807.6782 0.0000 0.0000 52136.2668 -109478.5622 299.6278 -161614.8290 -109118.8229 299.2854 275.9479 297.1186 761094.7322 -4.1561 -4.3797 PRESSURE: 3701200 355.818 -90.5608 63.0786 -90.5622 190.465 96.3967 63.0786 96.3968 85.6258 GPRESSURE: 3701200 385.465 -109.893 110.789 -4.10739 221.618 162.103 14.5529 120.313 99.9356 PRESSAVG: 3701200 66.9074 -2.41855 -22.6061 -2.41853 -4.71995 36.6285 -22.6062 36.6285 5.19324 GPRESSAVG: 3701200 66.3119 -3.79236 -23.5806 -2.90655 -5.2324 36.4171 -19.7501 34.8366 6.35056 TIMING: 3701200 CPU: 11695.4, 0.00314413/step Wall: 11695.4, 0.00314413/step, 1.13433 hours remaining, 235.070312 MB of memory in use. ENERGY: 3701200 3908.5132 20425.7346 14433.3785 227.9600 -203430.2381 2625.1852 0.0000 0.0000 52243.8541 -109565.6125 300.2461 -161809.4666 -109206.1933 299.1379 210.6363 235.6728 760149.6374 22.4602 22.4767 PRESSURE: 3701400 273.469 73.0626 84.4121 73.0633 -221.526 3.76193 84.4121 3.76142 -168.376 GPRESSURE: 3701400 319.312 -58.159 19.6213 -18.3471 -113.197 -16.5745 -64.2474 35.5197 -238.76 PRESSAVG: 3701400 2.40703 26.7792 44.5425 26.7792 28.5901 -26.9948 44.5424 -26.9948 -0.543167 GPRESSAVG: 3701400 2.58144 27.1566 46.3678 25.8971 29.0649 -26.6061 40.3481 -28.617 -1.59611 TIMING: 3701400 CPU: 11696, 0.00313704/step Wall: 11696, 0.00313704/step, 1.1316 hours remaining, 235.070312 MB of memory in use. ENERGY: 3701400 4009.5688 20471.2197 14391.6515 255.7460 -203940.0012 2963.3723 0.0000 0.0000 52358.1773 -109490.2656 300.9032 -161848.4428 -109117.0289 299.3989 -38.8110 -10.8818 760340.8313 10.1513 10.0167 PRESSURE: 3701600 204.72 142.272 179.367 142.272 229.194 52.089 179.368 52.0886 31.432 GPRESSURE: 3701600 214.387 180.36 192.859 249.222 215.205 -14.1736 149.397 143.561 110.811 PRESSAVG: 3701600 17.4063 19.7799 -13.9124 19.7799 -0.717567 -6.98954 -13.9124 -6.98956 -10.1693 GPRESSAVG: 3701600 18.0811 21.315 -14.5677 20.3495 -1.08058 -6.20831 -12.2325 -6.21248 -10.6953 TIMING: 3701600 CPU: 11696.7, 0.00315416/step Wall: 11696.7, 0.00315416/step, 1.1376 hours remaining, 235.070312 MB of memory in use. ENERGY: 3701600 3920.5154 20648.1373 14347.0668 246.5213 -203253.9081 2495.0235 0.0000 0.0000 52202.8974 -109393.7465 300.0108 -161596.6439 -109021.5975 298.9792 155.1156 180.1346 760944.5812 2.1731 2.1017 PRESSURE: 3701800 7.14215 -169.999 -55.4307 -169.999 219.06 -72.7828 -55.4296 -72.7824 285.082 GPRESSURE: 3701800 34.3724 -125.525 -87.7864 -206.361 348.456 -52.2971 4.65571 -59.9557 216.305 PRESSAVG: 3701800 -45.725 42.6116 15.5822 42.6116 63.1174 -48.3734 15.5822 -48.3734 -5.41403 GPRESSAVG: 3701800 -45.8468 42.6141 16.2583 42.7298 63.9993 -48.5932 15.5734 -46.2807 -5.68073 TIMING: 3701800 CPU: 11697.3, 0.00314381/step Wall: 11697.3, 0.00314381/step, 1.13369 hours remaining, 235.070312 MB of memory in use. ENERGY: 3701800 3984.2937 20545.1622 14387.0761 236.7779 -203625.8915 2893.2789 0.0000 0.0000 51945.5530 -109633.7497 298.5318 -161579.3027 -109270.3059 298.4768 170.4279 199.7110 761181.9903 3.9928 4.1573 PRESSURE: 3702000 241.119 94.9889 -25.5301 94.9895 305.528 -48.5922 -25.5304 -48.5922 -379.003 GPRESSURE: 3702000 205.891 33.6063 -21.105 195.539 316.513 -117.045 3.60066 -34.3727 -273.8 PRESSAVG: 3702000 -35.6431 -35.2918 38.9257 -35.2918 39.3325 5.82514 38.9256 5.82519 3.83329 GPRESSAVG: 3702000 -35.1269 -36.0801 37.6932 -34.0598 37.6162 5.64928 39.1738 2.69832 5.07532 TIMING: 3702000 CPU: 11697.9, 0.00314641/step Wall: 11697.9, 0.00314641/step, 1.13446 hours remaining, 235.070312 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: 3702000 3892.9468 20595.4144 14351.1507 240.5803 -203496.4508 2698.0012 0.0000 0.0000 52008.2184 -109710.1391 298.8919 -161718.3575 -109357.4107 297.9579 55.8811 82.8679 761233.1473 2.5075 2.5215 PRESSURE: 3702200 -425.585 146.518 -210.646 146.518 -80.8771 -50.7321 -210.647 -50.7322 -524.892 GPRESSURE: 3702200 -401.184 89.6912 -211.359 246.253 -84.2147 37.137 -113.46 -61.1562 -456.619 PRESSAVG: 3702200 -5.23063 -11.676 -28.7353 -11.676 -18.5553 6.01214 -28.7353 6.01218 13.8745 GPRESSAVG: 3702200 -6.08125 -11.5659 -26.706 -13.0049 -17.048 5.53552 -27.1252 8.1297 13.7403 TIMING: 3702200 CPU: 11698.5, 0.00313553/step Wall: 11698.5, 0.00313553/step, 1.13036 hours remaining, 235.070312 MB of memory in use. ENERGY: 3702200 3985.9920 20717.9963 14414.8483 237.0901 -203223.0429 2651.8976 0.0000 0.0000 51736.8735 -109478.3451 297.3325 -161215.2186 -109123.3175 298.6353 -343.7848 -314.0059 763022.9190 -3.3038 -3.1297 PRESSURE: 3702400 -393.62 -92.0394 -119.249 -92.039 -248.779 -36.8649 -119.249 -36.8658 -578.201 GPRESSURE: 3702400 -350.954 -50.8903 -178.847 -18.2051 -239.45 55.5215 -82.1397 -1.0225 -540.209 PRESSAVG: 3702400 -45.6069 -30.1013 9.01612 -30.1013 25.1042 -5.75356 9.01618 -5.75362 -3.71327 GPRESSAVG: 3702400 -45.7373 -29.8187 7.26535 -28.493 25.2297 -6.44593 8.9782 -5.74519 -4.13494 TIMING: 3702400 CPU: 11699.2, 0.00313157/step Wall: 11699.2, 0.00313157/step, 1.12876 hours remaining, 235.070312 MB of memory in use. ENERGY: 3702400 4033.6469 20564.9883 14436.7425 237.5380 -202915.2195 2311.9009 0.0000 0.0000 51889.4304 -109440.9725 298.2093 -161330.4029 -109078.7947 299.0530 -406.8667 -376.8712 763487.3963 -8.0720 -8.2142 PRESSURE: 3702600 44.1635 90.559 126.68 90.5591 -159.845 212.484 126.68 212.484 -741.452 GPRESSURE: 3702600 35.3232 43.0591 117.712 130.548 -140.813 233.683 213.831 115.327 -669.117 PRESSAVG: 3702600 33.3577 -50.8483 25.7328 -50.8483 -2.41173 31.971 25.7329 31.971 -19.3689 GPRESSAVG: 3702600 33.59 -51.932 27.44 -50.2863 -3.34923 33.8416 25.3493 33.1917 -18.8267 TIMING: 3702600 CPU: 11699.8, 0.00313031/step Wall: 11699.8, 0.00313031/step, 1.12813 hours remaining, 235.070312 MB of memory in use. ENERGY: 3702600 4012.5042 20706.4402 14474.3423 254.4061 -203385.7171 2669.4874 0.0000 0.0000 51824.7282 -109443.8086 297.8374 -161268.5368 -109077.0975 299.0506 -285.7113 -258.2023 764316.9573 3.8590 3.8047 PRESSURE: 3702800 -182.903 41.4899 181.386 41.4898 10.1847 43.2257 181.386 43.2256 -225.243 GPRESSURE: 3702800 -171.958 -27.1525 241.416 -1.26905 93.9785 65.5651 83.9322 27.2708 -233.477 PRESSAVG: 3702800 -28.5694 -56.8729 44.3128 -56.8729 1.20346 23.7781 44.3127 23.778 -17.1087 GPRESSAVG: 3702800 -27.8013 -56.7622 42.7851 -58.3743 1.48082 22.0764 40.5178 21.8389 -18.626 TIMING: 3702800 CPU: 11700.4, 0.00315089/step Wall: 11700.4, 0.00315089/step, 1.13537 hours remaining, 235.070312 MB of memory in use. ENERGY: 3702800 3977.8526 20589.4899 14428.2587 238.6231 -203161.1113 2493.6014 0.0000 0.0000 52138.1736 -109295.1120 299.6388 -161433.2856 -108932.8880 298.8026 -132.6538 -103.8189 762388.5190 -14.8249 -14.9822 PRESSURE: 3703000 -51.2542 41.4655 9.68667 41.4645 -187.241 -60.2727 9.68763 -60.2728 97.7804 GPRESSURE: 3703000 -44.0105 28.2009 -24.6501 23.1159 -107.609 -43.5575 92.8536 7.74696 101.135 PRESSAVG: 3703000 -42.3345 -11.0258 -1.3439 -11.0258 21.0015 29.6385 -1.34398 29.6385 12.7024 GPRESSAVG: 3703000 -44.5543 -9.69343 -0.355634 -9.63434 21.4555 30.08 1.36063 29.2786 14.0467 TIMING: 3703000 CPU: 11701.1, 0.00315276/step Wall: 11701.1, 0.00315276/step, 1.13587 hours remaining, 235.070312 MB of memory in use. ENERGY: 3703000 4047.1879 20441.8772 14357.5755 244.6647 -203208.5196 2734.2840 0.0000 0.0000 52377.6970 -109005.2334 301.0153 -161382.9304 -108639.8327 299.1402 -46.9048 -16.8279 762672.1533 -2.8769 -3.0174 PRESSURE: 3703200 -193.871 -74.5169 -123.142 -74.5162 -414.712 -152.672 -123.142 -152.673 -209.284 GPRESSURE: 3703200 -198.213 -41.4687 -155.942 -147.251 -296.904 -73.1219 -43.4617 -142.183 -227.647 PRESSAVG: 3703200 32.0714 21.3405 -35.7508 21.3405 15.6184 -5.618 -35.7509 -5.61799 -8.02896 GPRESSAVG: 3703200 32.0729 21.9248 -34.4983 20.3343 15.5319 -5.42927 -35.452 -3.03393 -7.80585 TIMING: 3703200 CPU: 11701.7, 0.00314316/step Wall: 11701.7, 0.00314316/step, 1.13224 hours remaining, 235.070312 MB of memory in use. ENERGY: 3703200 4042.2275 20679.9479 14428.5948 232.5854 -203451.0344 2723.0745 0.0000 0.0000 52147.0678 -109197.5366 299.6899 -161344.6044 -108834.7540 300.0187 -272.6220 -240.9215 763058.6052 13.2203 13.2663 PRESSURE: 3703400 -197.292 -351.517 -19.6595 -351.518 -293.216 62.1714 -19.6594 62.1721 410.644 GPRESSURE: 3703400 -98.806 -334.209 34.8368 -328.58 -278.335 -31.0439 -105.6 214.268 381.826 PRESSAVG: 3703400 29.6303 3.5419 -7.72894 3.54188 -34.0629 -30.2715 -7.72894 -30.2715 -14.8835 GPRESSAVG: 3703400 30.5743 1.89138 -9.8996 3.84606 -34.7678 -30.5579 -8.66085 -31.0788 -15.8992 TIMING: 3703400 CPU: 11702.3, 0.00313822/step Wall: 11702.3, 0.00313822/step, 1.13028 hours remaining, 235.070312 MB of memory in use. ENERGY: 3703400 4013.4935 20532.3162 14471.1848 233.9927 -203285.9195 2568.1263 0.0000 0.0000 52153.4600 -109313.3460 299.7267 -161466.8059 -108944.7179 299.5438 -26.6213 1.5617 761665.1453 -6.4387 -6.6975 PRESSURE: 3703600 -201.548 -62.8594 220.137 -62.8608 -300.112 -153.511 220.137 -153.512 231.863 GPRESSURE: 3703600 -206.157 -88.092 219.538 -11.6495 -235.482 -175.003 122.791 42.7263 276.397 PRESSAVG: 3703600 8.42452 -5.45426 -15.638 -5.4542 14.198 -11.7506 -15.6379 -11.7506 -16.1567 GPRESSAVG: 3703600 8.63302 -4.43279 -15.5529 -6.38154 13.2436 -12.0165 -17.5421 -11.5668 -15.3486 TIMING: 3703600 CPU: 11702.9, 0.00314442/step Wall: 11702.9, 0.00314442/step, 1.13234 hours remaining, 235.070312 MB of memory in use. ENERGY: 3703600 3990.7369 20573.3686 14397.0109 234.9687 -203111.7561 2467.8343 0.0000 0.0000 51981.6458 -109466.1909 298.7392 -161447.8368 -109112.7117 299.2531 -89.9324 -55.0810 762183.4903 2.1553 2.1760 PRESSURE: 3703800 79.4931 99.1714 270.829 99.1707 27.427 -21.0803 270.829 -21.0805 -267.212 GPRESSURE: 3703800 52.612 48.7848 313.036 94.848 94.6036 2.5245 188.956 1.18787 -209.397 PRESSAVG: 3703800 1.72175 -22.5733 9.81147 -22.5733 -7.79604 -30.5314 9.81141 -30.5314 28.2944 GPRESSAVG: 3703800 0.188474 -22.911 9.14414 -22.0302 -6.37954 -29.2343 13.3605 -31.9083 28.5153 TIMING: 3703800 CPU: 11703.6, 0.00317097/step Wall: 11703.6, 0.00317097/step, 1.14173 hours remaining, 235.070312 MB of memory in use. ENERGY: 3703800 3979.8552 20509.8934 14503.0027 267.6038 -203483.4043 2626.5649 0.0000 0.0000 52071.0877 -109525.3966 299.2533 -161596.4843 -109160.6131 299.0288 -53.4305 -20.7271 762426.2873 7.4067 7.4414 PRESSURE: 3704000 -211.889 -218.274 -38.5038 -218.273 205.704 38.3029 -38.503 38.3032 25.0245 GPRESSURE: 3704000 -161.452 -233.72 -11.7253 -127.639 241.232 27.4839 -90.5558 85.6457 10.2552 PRESSAVG: 3704000 -7.17673 -21.0195 -11.1969 -21.0196 -28.6729 18.8745 -11.1969 18.8744 -7.79815 GPRESSAVG: 3704000 -6.15368 -19.3434 -9.28553 -21.7747 -28.6471 18.8743 -14.0704 19.7039 -8.98312 TIMING: 3704000 CPU: 11704.2, 0.00315558/step Wall: 11704.2, 0.00315558/step, 1.13601 hours remaining, 235.070312 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: 3704000 3986.1213 20451.7990 14445.9833 228.1776 -203466.8985 2767.0515 0.0000 0.0000 51973.9380 -109613.8279 298.6949 -161587.7660 -109244.3979 299.1328 6.2799 30.0116 761276.5018 -14.5493 -14.5946 PRESSURE: 3704200 357.039 -67.3665 33.7103 -67.3655 39.1552 29.1681 33.711 29.1688 -96.7591 GPRESSURE: 3704200 375.49 -86.1723 -12.9492 -86.5672 28.9472 85.3767 9.11678 -2.0127 -28.8383 PRESSAVG: 3704200 -20.035 -8.59591 56.3315 -8.59588 11.549 2.27681 56.3314 2.27682 -12.0877 GPRESSAVG: 3704200 -20.0696 -11.9959 54.2025 -8.01263 9.93594 1.80167 56.5118 0.287152 -10.8263 TIMING: 3704200 CPU: 11704.8, 0.00314375/step Wall: 11704.8, 0.00314375/step, 1.13158 hours remaining, 235.070312 MB of memory in use. ENERGY: 3704200 3959.2837 20545.9303 14426.1634 239.4139 -203671.0454 2866.5231 0.0000 0.0000 52126.1535 -109507.5775 299.5697 -161633.7310 -109148.9185 299.2344 99.8115 125.1996 761193.1776 -6.8579 -6.9867 LDB: ============= START OF LOAD BALANCING ============== 11717.4 LDB: ============== END OF LOAD BALANCING =============== 11717.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11717.4 LDB: ============= START OF LOAD BALANCING ============== 11717.7 LDB: Largest compute 7075 load 0.031265 is 16.0% of average load 0.195608 LDB: Average compute 0.004377 is 2.2% of average load 0.195608 LDB: TIME 11717.7 LOAD: AVG 0.195608 MAX 0.214498 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.266 MB LDB: TIME 11717.7 LOAD: AVG 0.195608 MAX 0.214498 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.305 MB LDB: TIME 11717.7 LOAD: AVG 0.195608 MAX 0.214498 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.305 MB LDB: ============== END OF LOAD BALANCING =============== 11717.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11717.7 PRESSURE: 3704400 -633.147 -92.9894 42.6355 -92.9897 -620.326 10.7636 42.6359 10.7634 -577.058 GPRESSURE: 3704400 -516.469 -43.0558 -13.4056 -154.441 -615.351 -88.3015 88.2921 60.0101 -612.072 PRESSAVG: 3704400 -2.74653 -14.1466 -20.703 -14.1467 -10.5233 3.80407 -20.7029 3.80412 42.5133 GPRESSAVG: 3704400 -2.97437 -13.5754 -21.5364 -11.9468 -9.37215 4.95012 -18.0919 2.62251 42.2028 TIMING: 3704400 CPU: 11705.5, 0.00320763/step Wall: 11705.5, 0.00320763/step, 1.15439 hours remaining, 235.394531 MB of memory in use. ENERGY: 3704400 3995.0338 20493.4658 14460.5720 259.7089 -203087.7331 2293.3441 0.0000 0.0000 52296.0936 -109289.5148 300.5464 -161585.6084 -108925.0797 299.1741 -610.1768 -581.2975 763259.5347 9.7478 9.9521 PRESSURE: 3704600 229.524 -235.913 -14.1122 -235.913 188.066 245.344 -14.1124 245.345 -267.105 GPRESSURE: 3704600 259.887 -321.554 -4.85122 -275.282 233.443 269.457 69.2903 199.359 -249.733 PRESSAVG: 3704600 29.3182 37.8558 -21.1577 37.8558 -18.8034 43.2306 -21.1577 43.2306 7.70369 GPRESSAVG: 3704600 29.7516 39.2117 -21.4347 35.3555 -18.9376 42.7823 -21.7369 44.8316 7.60513 TIMING: 3704600 CPU: 11706.1, 0.0031329/step Wall: 11706.1, 0.0031329/step, 1.12732 hours remaining, 235.855469 MB of memory in use. ENERGY: 3704600 4017.8208 20554.6823 14493.8873 243.6896 -203403.3047 2678.3079 0.0000 0.0000 52124.0800 -109290.8368 299.5578 -161414.9167 -108929.0535 299.4644 50.1618 81.1992 760792.5905 6.0728 6.1397 PRESSURE: 3704800 -122.508 -22.1456 -169.66 -22.1441 -296.822 158.893 -169.661 158.894 -19.5408 GPRESSURE: 3704800 -125.636 103.763 -193.882 -85.5726 -187.199 196.695 -105.317 156.537 -28.3213 PRESSAVG: 3704800 8.63842 -30.4152 -24.9626 -30.4151 -13.323 47.8798 -24.9626 47.8798 -16.3782 GPRESSAVG: 3704800 8.0367 -31.7602 -23.1682 -27.2636 -13.0024 46.4828 -26.3948 45.833 -15.7864 TIMING: 3704800 CPU: 11706.7, 0.00317241/step Wall: 11706.7, 0.00317241/step, 1.14136 hours remaining, 235.855469 MB of memory in use. ENERGY: 3704800 4008.6293 20499.2085 14395.9069 249.8329 -202894.4745 2495.2308 0.0000 0.0000 52134.2027 -109111.4634 299.6160 -161245.6661 -108739.1441 299.7142 -146.2902 -113.7188 763554.8473 -7.0209 -6.9174 PRESSURE: 3705000 97.9159 -19.4406 -248.883 -19.4415 197.065 70.0706 -248.884 70.0716 481.52 GPRESSURE: 3705000 221.675 20.2506 -205.761 -25.5033 180.693 91.3996 -77.899 55.2334 455.476 PRESSAVG: 3705000 -11.4202 -34.5711 -28.577 -34.5712 16.0284 48.3953 -28.577 48.3953 -3.74496 GPRESSAVG: 3705000 -11.2271 -35.1458 -29.6801 -36.6099 16.5426 48.1679 -28.0253 50.0877 -5.29598 TIMING: 3705000 CPU: 11707.4, 0.00318959/step Wall: 11707.4, 0.00318959/step, 1.14737 hours remaining, 235.855469 MB of memory in use. ENERGY: 3705000 3891.3263 20542.7690 14533.0444 262.8782 -203030.7901 2647.2721 0.0000 0.0000 52181.6975 -108971.8026 299.8889 -161153.5001 -108617.1682 299.9836 258.8338 285.9479 762193.2436 0.2877 0.0065 PRESSURE: 3705200 140.25 19.8149 -118.561 19.8154 144.639 116.226 -118.561 116.226 -193.997 GPRESSURE: 3705200 120.258 -27.4592 -131.51 157.335 199.968 66.3445 -138.567 39.1707 -138.383 PRESSAVG: 3705200 35.0852 -12.1028 -11.9925 -12.1029 -32.4496 -9.99851 -11.9925 -9.99854 3.90378 GPRESSAVG: 3705200 33.9442 -10.2224 -11.2135 -11.4508 -32.9449 -9.12146 -11.1568 -8.69235 5.59591 TIMING: 3705200 CPU: 11708, 0.00317292/step Wall: 11708, 0.00317292/step, 1.14119 hours remaining, 235.855469 MB of memory in use. ENERGY: 3705200 4019.0577 20404.7025 14419.1238 240.0210 -202759.8601 2471.1415 0.0000 0.0000 52377.2988 -108828.5148 301.0131 -161205.8135 -108469.7649 300.4315 30.2974 60.6143 761841.3182 2.1798 2.1984 PRESSURE: 3705400 176.303 1.33912 92.6418 1.33987 -234.932 90.9436 92.6425 90.9434 159.099 GPRESSURE: 3705400 217.827 -138.091 143.155 -76.9488 -196.498 82.6636 75.3485 105.338 149.141 PRESSAVG: 3705400 27.2895 28.347 -36.2514 28.347 -37.3551 0.60746 -36.2514 0.60748 -24.48 GPRESSAVG: 3705400 26.8083 27.0014 -36.3536 26.4341 -36.1363 1.13237 -38.0657 -0.513173 -25.3651 TIMING: 3705400 CPU: 11708.6, 0.00314574/step Wall: 11708.6, 0.00314574/step, 1.13124 hours remaining, 235.855469 MB of memory in use. ENERGY: 3705400 4152.4843 20459.9585 14487.0517 245.8881 -202710.7570 2462.3726 0.0000 0.0000 52214.8159 -108688.1859 300.0793 -160903.0018 -108334.2777 300.4159 33.4902 56.8233 762102.8369 -11.5152 -11.5644 PRESSURE: 3705600 100.809 112.25 -18.5271 112.25 181.594 -90.3569 -18.5278 -90.3575 68.2601 GPRESSURE: 3705600 126.587 54.2684 19.5016 118.651 178.048 -167.486 45.6397 32.5737 135.034 PRESSAVG: 3705600 71.4114 -72.8756 24.7564 -72.8756 -43.8151 18.9732 24.7564 18.9732 -14.3488 GPRESSAVG: 3705600 72.6627 -71.7688 23.9947 -72.0804 -46.0316 18.0242 26.1656 21.624 -14.0214 TIMING: 3705600 CPU: 11709.3, 0.00314058/step Wall: 11709.3, 0.00314058/step, 1.12921 hours remaining, 235.855469 MB of memory in use. ENERGY: 3705600 3994.7522 20656.7647 14477.0127 250.1339 -203034.3043 2693.4521 0.0000 0.0000 52275.5066 -108686.6822 300.4281 -160962.1888 -108318.1122 300.7252 116.8878 146.5565 762212.6820 4.4158 4.2032 PRESSURE: 3705800 -119.247 -11.9895 46.5672 -11.9897 -186.564 -15.9485 46.5673 -15.9494 -189.774 GPRESSURE: 3705800 -45.2408 57.0226 -26.8224 -66.8127 -170.761 26.3436 144.023 -59.5685 -174.813 PRESSAVG: 3705800 54.1097 -28.4342 -24.1642 -28.4342 -58.34 0.23693 -24.1642 0.236935 -1.47881 GPRESSAVG: 3705800 53.8189 -28.7502 -24.3526 -27.1536 -57.617 0.627504 -24.203 -1.74161 -1.63755 TIMING: 3705800 CPU: 11709.9, 0.00314072/step Wall: 11709.9, 0.00314072/step, 1.12909 hours remaining, 235.855469 MB of memory in use. ENERGY: 3705800 3989.6070 20716.7469 14507.8782 253.7439 -203171.2641 2605.3268 0.0000 0.0000 52453.2752 -108644.6861 301.4497 -161097.9612 -108292.5037 300.7307 -165.1949 -130.2715 761130.9055 -1.9030 -1.8119 PRESSURE: 3706000 -89.4689 -60.4776 95.2767 -60.4786 164.82 -62.9885 95.2777 -62.989 353.82 GPRESSURE: 3706000 65.2886 -153.374 112.486 -116.064 202.838 -58.682 36.0455 20.9966 254.987 PRESSAVG: 3706000 -14.2826 7.59594 13.0756 7.59596 26.8849 25.4673 13.0756 25.4673 -2.6159 GPRESSAVG: 3706000 -13.6926 8.36924 12.2345 6.2196 26.7741 26.0068 12.0942 23.9719 -3.46915 TIMING: 3706000 CPU: 11710.5, 0.00313758/step Wall: 11710.5, 0.00313758/step, 1.12779 hours remaining, 235.855469 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: 3706000 4019.1823 20589.0229 14435.0457 254.0756 -202934.4254 2669.0566 0.0000 0.0000 52104.7350 -108863.3071 299.4466 -160968.0421 -108503.7064 300.4380 143.0570 174.3712 761521.7396 3.3288 3.2041 PRESSURE: 3706200 31.4175 30.7654 5.78023 30.7653 49.9829 68.1173 5.77984 68.1183 327.503 GPRESSURE: 3706200 97.2871 68.3496 -43.5216 -32.3147 -36.8606 61.6865 -19.961 -36.3152 407.829 PRESSAVG: 3706200 1.73985 -19.9838 11.2174 -19.9838 -32.1741 -25.7322 11.2173 -25.7322 0.880631 GPRESSAVG: 3706200 1.28385 -22.6786 12.3276 -19.0989 -32.3273 -26.8523 11.3121 -24.4814 1.33107 TIMING: 3706200 CPU: 11711.2, 0.00311614/step Wall: 11711.2, 0.00311614/step, 1.11991 hours remaining, 235.855469 MB of memory in use. ENERGY: 3706200 3952.5497 20544.1554 14444.0368 237.1279 -203091.7026 2751.3178 0.0000 0.0000 52178.5585 -108983.9565 299.8709 -161162.5150 -108625.8867 300.0832 136.3012 156.0850 761517.8030 -9.8512 -9.9041 PRESSURE: 3706400 -447.529 -97.9092 -25.8697 -97.9094 99.194 78.6615 -25.8695 78.6611 103.026 GPRESSURE: 3706400 -373.498 -132.846 24.6683 -164.43 101.292 59.829 -42.5055 -66.8548 109.173 PRESSAVG: 3706400 -27.4151 -50.611 -28.3454 -50.611 -5.23607 -5.30359 -28.3454 -5.30357 11.8727 GPRESSAVG: 3706400 -27.6458 -49.0408 -27.2276 -51.7921 -5.01169 -4.92867 -28.8479 -4.42185 12.1073 TIMING: 3706400 CPU: 11711.8, 0.00311218/step Wall: 11711.8, 0.00311218/step, 1.11831 hours remaining, 235.855469 MB of memory in use. ENERGY: 3706400 3989.7412 20610.6006 14440.6665 259.0603 -203082.1581 2451.0273 0.0000 0.0000 52384.6104 -108946.4518 301.0551 -161331.0622 -108570.3182 300.3470 -81.7694 -54.3446 763578.3398 -6.9262 -6.8501 PRESSURE: 3706600 -180.65 18.3781 117.629 18.3782 -337.224 272.14 117.63 272.14 -349.146 GPRESSURE: 3706600 -115.352 -31.6944 48.517 150.583 -366.545 309.335 112.278 108.276 -315.051 PRESSAVG: 3706600 -10.7162 4.10803 3.89458 4.10802 -7.1879 -19.1208 3.89453 -19.1208 6.08292 GPRESSAVG: 3706600 -9.82757 5.6106 1.8247 4.2992 -7.75238 -19.5929 3.81167 -20.3792 5.5772 TIMING: 3706600 CPU: 11712.4, 0.00313747/step Wall: 11712.4, 0.00313747/step, 1.12722 hours remaining, 235.855469 MB of memory in use. ENERGY: 3706600 4045.3887 20673.0371 14486.3163 231.3091 -202541.9505 2210.2503 0.0000 0.0000 51916.3354 -108979.3135 298.3639 -160895.6489 -108617.2904 299.7290 -289.0067 -265.6495 763989.3191 -3.9404 -4.0009 PRESSURE: 3706800 -297.667 115.325 284.702 115.325 -281.076 70.5259 284.701 70.5259 21.6631 GPRESSURE: 3706800 -275.694 44.3057 332.424 173.977 -163.613 155.692 216.289 -70.7286 -19.4458 PRESSAVG: 3706800 47.6088 -13.5447 62.2614 -13.5447 -49.3141 4.20396 62.2614 4.20389 -28.2544 GPRESSAVG: 3706800 47.1805 -13.6836 64.7978 -14.0004 -48.431 3.64249 60.014 4.31419 -28.5317 TIMING: 3706800 CPU: 11713, 0.00314206/step Wall: 11713, 0.00314206/step, 1.1287 hours remaining, 235.855469 MB of memory in use. ENERGY: 3706800 4015.9722 20475.4309 14412.1753 253.1275 -202444.5749 2383.9279 0.0000 0.0000 52169.4132 -108734.5278 299.8183 -160903.9410 -108373.5023 299.7560 -185.6932 -152.9176 764329.4826 -9.9866 -9.9274 PRESSURE: 3707000 69.9765 -51.7588 65.5817 -51.7593 -90.6409 -138.968 65.5816 -138.968 474.166 GPRESSURE: 3707000 124.057 -132.968 4.1477 11.3563 4.77613 -111.44 59.3734 -36.157 421.118 PRESSAVG: 3707000 -44.8262 26.0986 27.6318 26.0987 29.1594 54.5439 27.6318 54.5439 -8.69541 GPRESSAVG: 3707000 -45.9198 24.7913 26.4923 25.9337 29.6282 55.7904 31.4181 55.878 -8.05007 TIMING: 3707000 CPU: 11713.7, 0.00312829/step Wall: 11713.7, 0.00312829/step, 1.12358 hours remaining, 235.855469 MB of memory in use. ENERGY: 3707000 4016.2398 20601.5488 14457.9820 249.4993 -203102.0975 2837.5431 0.0000 0.0000 52133.0108 -108806.2736 299.6091 -160939.2845 -108455.0997 300.1460 151.1670 183.3172 763071.9892 -8.1207 -8.1139 PRESSURE: 3707200 -113.524 -151.823 241.106 -151.823 -149.734 -120.046 241.106 -120.046 168.952 GPRESSURE: 3707200 -8.49968 -171.236 231.601 -165.322 -191.18 -77.1893 235.431 -219.01 189.436 PRESSAVG: 3707200 43.0319 35.9334 65.3551 35.9334 -31.174 8.48925 65.3552 8.48925 6.38043 GPRESSAVG: 3707200 45.4233 36.9473 65.3203 36.9178 -33.3006 9.67758 62.2427 7.91819 5.65556 TIMING: 3707200 CPU: 11714.3, 0.00313496/step Wall: 11714.3, 0.00313496/step, 1.1258 hours remaining, 235.855469 MB of memory in use. ENERGY: 3707200 3929.8103 20633.4917 14367.6172 232.4085 -203049.6345 2718.4076 0.0000 0.0000 52081.1377 -109086.7615 299.3110 -161167.8992 -108733.1703 300.1151 -31.4351 -3.4147 762617.8778 6.0794 5.9261 PRESSURE: 3707400 -106.087 29.7145 27.5996 29.7155 -202.853 -73.2402 27.5988 -73.2396 -597.132 GPRESSURE: 3707400 -73.1201 83.9032 50.9625 71.3868 -88.9743 -61.5377 114.794 -73.2572 -652.288 PRESSAVG: 3707400 24.3719 -13.5752 59.3887 -13.5752 -18.8535 -19.9282 59.3887 -19.9282 -7.46994 GPRESSAVG: 3707400 23.625 -12.8215 58.8534 -12.2944 -18.2653 -20.3646 60.0273 -20.2191 -7.10817 TIMING: 3707400 CPU: 11714.9, 0.00315012/step Wall: 11714.9, 0.00315012/step, 1.13107 hours remaining, 235.855469 MB of memory in use. ENERGY: 3707400 4016.8865 20529.3346 14405.5993 246.3019 -202762.7212 2271.2064 0.0000 0.0000 52007.9630 -109285.4295 298.8905 -161293.3925 -108919.7592 299.5139 -302.0241 -271.4607 762619.1683 -0.6505 -0.5828 PRESSURE: 3707600 276.553 107.348 -19.2389 107.348 5.72188 -57.4593 -19.2381 -57.4588 -128.237 GPRESSURE: 3707600 322.34 49.1165 8.74699 177.07 69.0568 -104.092 35.834 -134.326 -151.13 PRESSAVG: 3707600 9.31816 33.9575 -13.3712 33.9575 -38.6337 -33.944 -13.3712 -33.944 16.7953 GPRESSAVG: 3707600 8.95504 34.3269 -12.4074 31.2042 -36.9517 -34.1902 -11.6938 -32.9432 15.5886 TIMING: 3707600 CPU: 11715.5, 0.0031548/step Wall: 11715.5, 0.0031548/step, 1.13257 hours remaining, 235.855469 MB of memory in use. ENERGY: 3707600 4055.4270 20540.4685 14379.0796 238.6782 -203326.7749 2653.9867 0.0000 0.0000 52118.1102 -109341.0248 299.5235 -161459.1350 -108976.6036 299.0502 51.3460 80.0889 762527.0667 -4.1734 -4.1360 PRESSURE: 3707800 188.242 -2.40648 -11.0474 -2.4063 -231.71 -82.3254 -11.0475 -82.3264 -256.626 GPRESSURE: 3707800 218.609 65.9997 -10.3068 -107.971 -236.482 -17.1125 -162.635 -95.8418 -179.961 PRESSAVG: 3707800 -21.7354 3.83918 -36.385 3.83914 -13.4282 -37.8119 -36.385 -37.8118 -0.503282 GPRESSAVG: 3707800 -21.5679 2.64642 -36.4229 5.3107 -14.5664 -37.7574 -37.6642 -38.0773 0.660925 TIMING: 3707800 CPU: 11716.2, 0.0031432/step Wall: 11716.2, 0.0031432/step, 1.12823 hours remaining, 235.855469 MB of memory in use. ENERGY: 3707800 3939.6897 20542.0762 14382.4471 249.6282 -203158.1214 2436.0521 0.0000 0.0000 52033.5865 -109574.6415 299.0377 -161608.2280 -109214.4650 298.9828 -100.0313 -65.9446 762176.0198 -11.8890 -11.8245 PRESSURE: 3708000 31.8869 16.8116 112.876 16.8109 45.1044 -139.199 112.877 -139.199 19.5747 GPRESSURE: 3708000 57.2406 -123.736 53.5549 50.4939 51.3588 -161.392 78.9717 -105.849 77.6327 PRESSAVG: 3708000 8.91894 -13.8754 -21.2546 -13.8754 21.2859 -15.491 -21.2545 -15.4909 -0.432531 GPRESSAVG: 3708000 8.22761 -12.738 -21.3571 -14.3167 22.3124 -15.0701 -20.2466 -15.4549 -0.388488 TIMING: 3708000 CPU: 11716.8, 0.00315575/step Wall: 11716.8, 0.00315575/step, 1.13256 hours remaining, 235.855469 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: 3708000 3905.6022 20295.5806 14449.2022 254.8878 -203040.3258 2402.9039 0.0000 0.0000 51960.5167 -109771.6323 298.6178 -161732.1490 -109410.3373 298.7083 32.1886 62.0774 762146.0519 9.9241 10.0505 PRESSURE: 3708200 25.2983 92.6669 -48.2108 92.6669 120.627 62.9799 -48.2095 62.9805 279.914 GPRESSURE: 3708200 8.64716 72.0264 -22.5698 152.269 172.273 76.1008 -131.235 2.97515 320.682 PRESSAVG: 3708200 33.4144 77.1531 -47.3659 77.1531 -33.0466 17.8565 -47.3659 17.8565 15.414 GPRESSAVG: 3708200 34.0421 77.0612 -47.8502 77.973 -33.091 18.4821 -50.4519 17.5991 15.3441 TIMING: 3708200 CPU: 11717.4, 0.00314894/step Wall: 11717.4, 0.00314894/step, 1.12995 hours remaining, 235.855469 MB of memory in use. ENERGY: 3708200 3945.3490 20518.7726 14418.5289 233.2651 -203192.7289 2612.6738 0.0000 0.0000 51818.8776 -109645.2620 297.8038 -161464.1395 -109285.0438 298.8748 141.9466 167.2007 761024.3056 5.2606 5.4317 LDB: ============= START OF LOAD BALANCING ============== 11730 LDB: ============== END OF LOAD BALANCING =============== 11730 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11730 LDB: ============= START OF LOAD BALANCING ============== 11730.3 LDB: Largest compute 7057 load 0.031829 is 16.3% of average load 0.195667 LDB: Average compute 0.004371 is 2.2% of average load 0.195667 LDB: TIME 11730.3 LOAD: AVG 0.195667 MAX 0.216239 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 11730.3 LOAD: AVG 0.195667 MAX 0.216239 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 11730.3 LOAD: AVG 0.195667 MAX 0.216239 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 11730.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11730.3 PRESSURE: 3708400 130.448 -311.008 -43.998 -311.008 -53.4307 95.4491 -43.9974 95.4514 347.107 GPRESSURE: 3708400 275.414 -234.913 -81.0269 -250.759 -70.3347 149.432 9.54954 136.705 298.767 PRESSAVG: 3708400 38.2089 -16.5849 29.1796 -16.5849 -12.9977 24.6161 29.1796 24.6161 -13.4864 GPRESSAVG: 3708400 38.8141 -16.1062 27.8467 -18.1397 -13.6597 23.6552 30.2502 24.8741 -13.2377 TIMING: 3708400 CPU: 11718.1, 0.00320904/step Wall: 11718.1, 0.00320904/step, 1.15133 hours remaining, 235.652344 MB of memory in use. ENERGY: 3708400 3855.2052 20319.8650 14393.7215 226.8805 -203581.9802 2871.1743 0.0000 0.0000 52239.2082 -109675.9254 300.2194 -161915.1337 -109308.0357 298.0547 141.3747 167.9489 760752.5871 3.9083 3.9723 PRESSURE: 3708600 116.585 -236.025 -12.8123 -236.025 180.757 60.5938 -12.8128 60.593 180.991 GPRESSURE: 3708600 157.618 -235.123 45.5098 -92.4589 234.379 64.7214 35.1139 96.1521 157.629 PRESSAVG: 3708600 19.1073 -23.2417 32.1596 -23.2418 -82.0392 59.8245 32.1596 59.8245 18.9611 GPRESSAVG: 3708600 18.3848 -25.132 33.9229 -21.5374 -81.294 60.6046 32.6027 59.3205 19.5815 TIMING: 3708600 CPU: 11718.7, 0.00316338/step Wall: 11718.7, 0.00316338/step, 1.13478 hours remaining, 235.652344 MB of memory in use. ENERGY: 3708600 3961.9215 20329.4256 14378.9722 269.1878 -203372.1327 2508.0639 0.0000 0.0000 52355.5215 -109569.0402 300.8879 -161924.5617 -109201.0789 298.7256 159.4443 183.2086 760208.8122 -14.6569 -14.4426 PRESSURE: 3708800 -120.439 -202.446 -12.426 -202.446 144.113 191.817 -12.426 191.817 -308.201 GPRESSURE: 3708800 -92.273 -108.08 -116.726 -257.768 117.648 165.244 76.8236 303.227 -230.885 PRESSAVG: 3708800 103.531 -8.48068 -63.3402 -8.48071 -68.4572 23.6392 -63.3402 23.6392 -9.5401 GPRESSAVG: 3708800 103.101 -6.96822 -64.0187 -8.45906 -68.2542 23.2844 -63.4338 22.5845 -9.494 TIMING: 3708800 CPU: 11719.3, 0.003144/step Wall: 11719.3, 0.003144/step, 1.12765 hours remaining, 235.855469 MB of memory in use. ENERGY: 3708800 3970.5989 20515.8148 14352.8260 248.8494 -202999.6307 2367.2436 0.0000 0.0000 52075.8831 -109468.4150 299.2808 -161544.2981 -109110.2205 298.6455 -94.8424 -68.5035 759854.9935 8.5111 8.4509 PRESSURE: 3709000 -92.166 67.5183 -58.6188 67.5176 -238.567 -24.534 -58.619 -24.5348 -161.829 GPRESSURE: 3709000 -69.111 158.752 -133.648 24.2213 -178.534 -99.4819 -110.788 -8.30606 -154.047 PRESSAVG: 3709000 40.7816 17.0716 -43.3528 17.0716 -55.3376 17.3458 -43.3528 17.3458 4.81742 GPRESSAVG: 3709000 41.0265 17.8248 -41.8121 15.8686 -55.4542 15.0549 -43.582 19.5155 4.84525 TIMING: 3709000 CPU: 11720, 0.00316134/step Wall: 11720, 0.00316134/step, 1.13369 hours remaining, 235.925781 MB of memory in use. ENERGY: 3709000 4053.1088 20497.1680 14471.6080 243.2320 -203074.3347 2569.2145 0.0000 0.0000 52047.0164 -109192.9869 299.1149 -161240.0034 -108834.2968 299.2551 -164.1874 -133.8973 763500.0787 -3.2462 -3.1941 PRESSURE: 3709200 333.794 267.001 -5.99292 267.001 -1.85496 -31.6874 -5.99304 -31.6875 118.659 GPRESSURE: 3709200 398.08 85.4736 25.2364 326.065 31.1049 -22.519 -121.759 -99.5492 111.783 PRESSAVG: 3709200 20.7674 13.5269 -23.3688 13.5269 -11.1474 -6.66274 -23.3687 -6.66274 -21.2801 GPRESSAVG: 3709200 21.2172 12.7996 -24.1976 14.2406 -11.8285 -4.42001 -22.3712 -8.5327 -21.3061 TIMING: 3709200 CPU: 11720.6, 0.00312877/step Wall: 11720.6, 0.00312877/step, 1.12184 hours remaining, 235.925781 MB of memory in use. ENERGY: 3709200 3965.4241 20459.6067 14417.9222 250.1566 -202594.4768 2379.3615 0.0000 0.0000 52032.4505 -109089.5553 299.0312 -161122.0057 -108725.1401 299.2810 150.1993 180.3226 763469.6803 -3.8867 -3.9725 PRESSURE: 3709400 33.4766 153.461 -0.20004 153.461 -239.857 171.321 -0.200151 171.32 132.158 GPRESSURE: 3709400 90.0474 177.635 89.3116 244.945 -215.167 182.065 82.3876 37.9595 126.739 PRESSAVG: 3709400 45.8884 12.1757 13.3439 12.1757 -46.9344 44.2201 13.3439 44.22 -6.90253 GPRESSAVG: 3709400 45.7299 12.125 12.6192 12.2197 -47.0516 43.8213 11.1513 45.3345 -6.95203 TIMING: 3709400 CPU: 11721.2, 0.00314415/step Wall: 11721.2, 0.00314415/step, 1.12718 hours remaining, 235.925781 MB of memory in use. ENERGY: 3709400 3977.8622 20592.8486 14406.9887 238.5647 -203276.9121 2851.9782 0.0000 0.0000 52137.9360 -109070.7336 299.6374 -161208.6697 -108708.9772 299.9539 -24.7411 0.5397 764253.7451 -2.6495 -2.7579 PRESSURE: 3709600 134.605 -139.645 -56.9409 -139.644 207.399 290.363 -56.9404 290.363 -2.40189 GPRESSURE: 3709600 223.495 -263.058 -47.6547 -73.3633 255.242 323.228 -71.115 223.241 -56.1285 PRESSAVG: 3709600 -17.8064 28.2085 -12.8203 28.2085 -6.01759 -10.0568 -12.8204 -10.0568 -3.92336 GPRESSAVG: 3709600 -16.9484 28.5093 -9.62872 27.4045 -5.88521 -10.8507 -12.7839 -9.28195 -4.35011 TIMING: 3709600 CPU: 11721.9, 0.00313485/step Wall: 11721.9, 0.00313485/step, 1.12367 hours remaining, 235.925781 MB of memory in use. ENERGY: 3709600 3876.2630 20672.4627 14424.7359 229.3920 -203338.4193 2587.5288 0.0000 0.0000 52288.3299 -109259.7070 300.5018 -161548.0370 -108903.9113 299.5263 113.2006 140.8695 763675.3205 -9.2491 -9.0612 PRESSURE: 3709800 233.206 -76.3901 -104.255 -76.3896 -50.012 -188.351 -104.256 -188.351 -50.3832 GPRESSURE: 3709800 136.563 41.8416 -115.583 2.0191 121.078 -177.244 -67.6234 -105.939 -30.2484 PRESSAVG: 3709800 -23.4443 -53.0096 19.8127 -53.0095 -29.3015 32.5353 19.8126 32.5354 -11.3714 GPRESSAVG: 3709800 -25.2141 -55.0475 16.6441 -51.9139 -28.0368 33.7346 23.311 31.7521 -11.5289 TIMING: 3709800 CPU: 11722.5, 0.00316247/step Wall: 11722.5, 0.00316247/step, 1.13339 hours remaining, 235.925781 MB of memory in use. ENERGY: 3709800 3951.0815 20665.7515 14530.3722 245.8588 -202842.5716 2406.1491 0.0000 0.0000 51743.5846 -109299.7740 297.3711 -161043.3586 -108952.8568 298.8685 44.2703 75.7975 763868.6822 -21.3724 -21.5933 PRESSURE: 3710000 67.438 132.667 85.7832 132.666 151.945 86.7781 85.7834 86.7792 298.972 GPRESSURE: 3710000 82.7086 70.2691 170.737 182.789 218.736 99.3799 36.5044 39.9657 310.822 PRESSAVG: 3710000 45.3543 -24.9146 -4.27137 -24.9146 4.92421 -4.53993 -4.27143 -4.54001 -6.05563 GPRESSAVG: 3710000 45.9526 -22.47 -3.4801 -26.6637 5.4341 -5.78644 -4.97492 -5.7539 -6.89118 TIMING: 3710000 CPU: 11723.1, 0.00316/step Wall: 11723.1, 0.00316/step, 1.13233 hours remaining, 235.925781 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: 3710000 4039.6003 20596.3201 14464.1912 228.8822 -203643.7425 2946.0953 0.0000 0.0000 52136.4049 -109232.2484 299.6286 -161368.6533 -108875.1930 299.0163 172.7852 204.0888 763038.3562 14.7410 14.8318 PRESSURE: 3710200 -295.585 20.8867 116.734 20.8865 -127.79 -78.209 116.734 -78.2088 -304.737 GPRESSURE: 3710200 -246.625 75.0008 51.4387 68.5125 -130.781 -120.215 167.015 19.5806 -259.483 PRESSAVG: 3710200 5.27817 11.6135 -12.698 11.6135 -20.9005 -0.772415 -12.698 -0.772449 -3.02266 GPRESSAVG: 3710200 5.97924 9.82607 -12.8539 12.1198 -21.5278 0.0603643 -13.7724 1.38965 -2.64323 TIMING: 3710200 CPU: 11723.7, 0.00313843/step Wall: 11723.7, 0.00313843/step, 1.12443 hours remaining, 235.925781 MB of memory in use. ENERGY: 3710200 4099.0183 20662.2912 14507.4451 237.2709 -203371.7050 2528.6077 0.0000 0.0000 52407.5511 -108929.5207 301.1869 -161337.0718 -108555.4329 299.6281 -242.7039 -212.2965 764001.8352 -6.2150 -6.0639 PRESSURE: 3710400 141.058 222.758 18.9255 222.758 -553.446 -109.661 18.9252 -109.66 -10.1296 GPRESSURE: 3710400 120.508 227.52 -69.0958 62.3014 -439.151 -75.847 -103.515 -224.94 -23.2961 PRESSAVG: 3710400 24.054 46.806 -13.2429 46.806 -36.4559 21.2294 -13.2429 21.2295 1.98992 GPRESSAVG: 3710400 24.0924 47.1337 -13.0794 47.5547 -36.7088 20.5303 -15.2009 19.6178 1.61877 TIMING: 3710400 CPU: 11724.4, 0.00314315/step Wall: 11724.4, 0.00314315/step, 1.12594 hours remaining, 235.925781 MB of memory in use. ENERGY: 3710400 4005.5735 20784.8909 14516.5033 229.1360 -203109.1308 2452.8585 0.0000 0.0000 52009.8520 -109110.3165 298.9013 -161120.1685 -108754.2894 300.1834 -140.8393 -113.9797 765035.6912 -3.4707 -3.6659 PRESSURE: 3710600 -342.979 -171.274 352.04 -171.274 -54.3558 89.9283 352.04 89.9287 38.96 GPRESSURE: 3710600 -264.606 -214.959 293.699 -210.456 -117.522 144.222 377.926 -54.8229 100.573 PRESSAVG: 3710600 38.0957 14.7601 -25.3062 14.7601 -29.6478 -39.9937 -25.3062 -39.9938 -5.44232 GPRESSAVG: 3710600 38.9502 12.7349 -26.2407 13.563 -30.7389 -40.5183 -24.0159 -39.3917 -5.61012 TIMING: 3710600 CPU: 11725, 0.00314301/step Wall: 11725, 0.00314301/step, 1.12572 hours remaining, 235.925781 MB of memory in use. ENERGY: 3710600 3990.8237 20664.4499 14423.7195 264.2435 -203453.0532 2653.1079 0.0000 0.0000 52258.9095 -109197.7993 300.3327 -161456.7088 -108835.7570 299.7801 -119.4581 -93.8515 763956.6774 1.0019 0.8670 PRESSURE: 3710800 82.5351 21.4862 151.25 21.4867 234.874 192.57 151.251 192.572 -148.019 GPRESSURE: 3710800 163.844 55.6155 146.579 94.8405 230.768 245.169 268.216 178.708 -129.223 PRESSAVG: 3710800 19.0866 -50.6955 -1.00776 -50.6955 6.59467 -12.9434 -1.00774 -12.9434 12.1474 GPRESSAVG: 3710800 18.9787 -48.5615 0.38871 -49.5803 6.27804 -14.0656 -0.659556 -11.8058 12.563 TIMING: 3710800 CPU: 11725.6, 0.0031656/step Wall: 11725.6, 0.0031656/step, 1.13363 hours remaining, 235.925781 MB of memory in use. ENERGY: 3710800 3963.3148 20588.5207 14453.1583 221.7886 -203214.5564 2650.1899 0.0000 0.0000 52186.9721 -109150.6121 299.9192 -161337.5842 -108780.3149 299.9921 56.4634 88.4630 763389.6097 12.6096 12.6066 PRESSURE: 3711000 67.7006 39.5699 -140.701 39.5702 228.07 -49.6883 -140.701 -49.6882 137.286 GPRESSURE: 3711000 82.709 215.231 -152.547 64.6455 218.807 -145.224 -154.94 -106.192 233.124 PRESSAVG: 3711000 38.1452 12.5662 2.95275 12.5662 -3.32653 82.7138 2.95275 82.7138 24.4914 GPRESSAVG: 3711000 38.8666 14.6292 2.03495 11.3114 -4.00743 85.1219 3.23898 83.3206 25.1627 TIMING: 3711000 CPU: 11726.3, 0.00315552/step Wall: 11726.3, 0.00315552/step, 1.12985 hours remaining, 235.925781 MB of memory in use. ENERGY: 3711000 4045.2193 20668.6957 14553.3898 231.3279 -203618.8133 2866.2913 0.0000 0.0000 52268.9175 -108984.9717 300.3902 -161253.8892 -108629.0576 300.6134 144.3522 178.2132 760566.8554 19.7700 20.0073 PRESSURE: 3711200 -170.905 -51.1123 48.3142 -51.1121 -157.188 59.9695 48.3143 59.9689 -117.35 GPRESSURE: 3711200 -118.302 -155.435 32.5449 -121.737 -39.3286 24.1556 133.959 88.8425 -204.219 PRESSAVG: 3711200 -18.0964 16.2276 12.7574 16.2276 -29.4826 -39.8119 12.7575 -39.8119 14.5961 GPRESSAVG: 3711200 -18.8317 13.6346 12.729 13.8618 -27.7803 -40.8669 13.9495 -40.8618 13.9915 TIMING: 3711200 CPU: 11726.9, 0.00314503/step Wall: 11726.9, 0.00314503/step, 1.12592 hours remaining, 235.925781 MB of memory in use. ENERGY: 3711200 3934.3680 20582.2944 14494.7821 249.0832 -203254.5737 2715.2298 0.0000 0.0000 52266.9168 -109011.8994 300.3787 -161278.8162 -108628.9187 300.4663 -148.4809 -120.6167 762350.0895 -10.9943 -10.8735 PRESSURE: 3711400 -4.25384 -105.787 26.186 -105.787 -216.115 -88.1555 26.1851 -88.1547 32.3063 GPRESSURE: 3711400 -47.0052 -102.812 52.0217 -196.661 -161.173 -24.4732 33.9425 78.4298 109.531 PRESSAVG: 3711400 58.0553 -2.92836 16.5777 -2.9284 -91.0921 -57.9606 16.5777 -57.9605 9.96186 GPRESSAVG: 3711400 59.077 -3.4413 17.6237 -1.78044 -91.0603 -57.3812 15.9604 -57.7647 8.62881 TIMING: 3711400 CPU: 11727.5, 0.00314752/step Wall: 11727.5, 0.00314752/step, 1.12664 hours remaining, 235.925781 MB of memory in use. ENERGY: 3711400 3960.6458 20715.4286 14490.1895 247.2533 -203327.6174 2559.3584 0.0000 0.0000 52242.5424 -109112.1993 300.2386 -161354.7416 -108750.1152 300.2382 -62.6874 -32.8823 763212.9553 -7.6916 -7.7848 PRESSURE: 3711600 -55.175 76.495 20.5957 76.4939 -319.731 -138.995 20.5963 -138.996 -322.678 GPRESSURE: 3711600 -58.0918 74.1474 11.8799 36.6447 -309.681 -54.445 75.2827 -149.296 -273.971 PRESSAVG: 3711600 -8.4006 22.8943 19.8464 22.8943 16.3427 2.60015 19.8463 2.60013 -7.68127 GPRESSAVG: 3711600 -10.1135 23.1465 17.69 23.3331 15.6632 0.929345 20.152 4.14754 -5.72716 TIMING: 3711600 CPU: 11728.2, 0.00314456/step Wall: 11728.2, 0.00314456/step, 1.1254 hours remaining, 235.925781 MB of memory in use. ENERGY: 3711600 3947.7643 20783.5122 14484.6232 251.3003 -202866.4556 2406.1305 0.0000 0.0000 51939.6966 -109053.4286 298.4982 -160993.1252 -108695.9860 299.8083 -232.5278 -213.9146 763411.0558 0.0869 -0.0592 PRESSURE: 3711800 200.763 55.5169 72.8914 55.5167 -105.311 9.83944 72.8915 9.8389 -213.758 GPRESSURE: 3711800 209.73 78.8024 133.793 98.874 -24.9542 11.8961 20.1942 -36.2644 -217.71 PRESSAVG: 3711800 11.3914 1.90539 66.1713 1.90543 -1.64214 31.1188 66.1712 31.1188 29.2756 GPRESSAVG: 3711800 13.4376 1.89422 67.5959 2.75574 -1.52269 32.0995 65.6654 30.3242 28.0962 TIMING: 3711800 CPU: 11728.8, 0.00314811/step Wall: 11728.8, 0.00314811/step, 1.1265 hours remaining, 235.925781 MB of memory in use. ENERGY: 3711800 3962.6834 20542.8381 14501.8222 238.3850 -203355.6723 2753.6400 0.0000 0.0000 52082.0751 -109274.2286 299.3164 -161356.3037 -108911.1974 299.8575 -39.4353 -10.9781 762359.4615 13.0083 13.3370 PRESSURE: 3712000 75.8461 1.15758 -43.7129 1.15796 -169.555 -43.7854 -43.7127 -43.7859 -33.0681 GPRESSURE: 3712000 135.552 22.0458 -42.143 -25.7605 -86.1529 -18.9388 -104.281 -9.45064 -79.9122 PRESSAVG: 3712000 -23.8473 31.7663 24.268 31.7663 25.6517 64.7427 24.268 64.7427 -11.6478 GPRESSAVG: 3712000 -25.2839 32.0874 23.8346 31.1517 25.8047 66.2193 23.3269 63.6666 -10.5289 TIMING: 3712000 CPU: 11729.4, 0.00315726/step Wall: 11729.4, 0.00315726/step, 1.1296 hours remaining, 235.925781 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: 3712000 4004.8328 20564.7683 14444.8676 264.8984 -203696.4095 2772.5392 0.0000 0.0000 52304.1572 -109340.3460 300.5927 -161644.5032 -108968.7372 299.2212 -42.2591 -10.1710 760728.2446 -3.2811 -3.3360 PRESSURE: 3712200 252.883 -21.9232 112.673 -21.9226 -28.5995 -86.9957 112.673 -86.9959 -300.785 GPRESSURE: 3712200 361.609 -54.3718 201.404 94.9445 -47.173 -140.583 53.4383 -165.926 -308.395 PRESSAVG: 3712200 -6.51444 -1.53939 44.7597 -1.53935 -23.8444 3.85384 44.7598 3.85382 9.44548 GPRESSAVG: 3712200 -5.66447 -1.19365 44.7392 -1.58 -24.7698 2.17801 44.2893 3.75599 8.9326 TIMING: 3712200 CPU: 11730, 0.00314831/step Wall: 11730, 0.00314831/step, 1.12622 hours remaining, 235.925781 MB of memory in use. ENERGY: 3712200 3898.8748 20584.7716 14429.0194 252.8303 -203339.4526 2550.6037 0.0000 0.0000 52262.2328 -109361.1200 300.3518 -161623.3528 -109004.3002 299.1937 -25.5004 2.0134 760522.3830 -6.9711 -7.1672 LDB: ============= START OF LOAD BALANCING ============== 11742.6 LDB: ============== END OF LOAD BALANCING =============== 11742.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11742.6 LDB: ============= START OF LOAD BALANCING ============== 11742.9 LDB: Largest compute 7026 load 0.031751 is 16.2% of average load 0.195615 LDB: Average compute 0.004389 is 2.2% of average load 0.195615 LDB: TIME 11742.9 LOAD: AVG 0.195615 MAX 0.213031 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.496 MB LDB: TIME 11742.9 LOAD: AVG 0.195615 MAX 0.213031 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: TIME 11742.9 LOAD: AVG 0.195615 MAX 0.213031 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: ============== END OF LOAD BALANCING =============== 11742.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11742.9 PRESSURE: 3712400 46.8088 11.9531 117.866 11.9534 -137.315 16.6601 117.866 16.6603 48.3986 GPRESSURE: 3712400 75.5392 -38.5811 149.011 13.023 -66.1892 1.23169 65.3969 -19.0355 23.7928 PRESSAVG: 3712400 47.5023 -10.8378 20.2144 -10.8377 -37.0425 15.077 20.2144 15.0769 -17.0563 GPRESSAVG: 3712400 46.451 -12.0631 19.4393 -8.82645 -35.3901 15.419 22.4967 14.2407 -17.3272 TIMING: 3712400 CPU: 11730.7, 0.00322123/step Wall: 11730.7, 0.00322123/step, 1.15213 hours remaining, 234.167969 MB of memory in use. ENERGY: 3712400 4054.3175 20535.2943 14459.2940 251.1321 -203406.4799 2561.3481 0.0000 0.0000 52093.7115 -109451.3824 299.3833 -161545.0940 -109093.2320 299.3747 -14.0357 11.0476 761105.7454 -2.1988 -2.0888 PRESSURE: 3712600 -61.4322 45.6764 -14.0149 45.6768 -9.32092 215.335 -14.0144 215.336 259.421 GPRESSURE: 3712600 11.915 48.4636 87.8999 -134.366 -8.24958 192.073 -140.038 133.505 256.698 PRESSAVG: 3712600 -23.6647 -11.8391 -25.7715 -11.8391 25.2997 40.2428 -25.7715 40.2427 -17.8776 GPRESSAVG: 3712600 -22.4041 -11.6795 -25.1155 -14.6545 23.6516 40.3475 -23.8412 40.1894 -17.7911 TIMING: 3712600 CPU: 11731.3, 0.00313747/step Wall: 11731.3, 0.00313747/step, 1.12199 hours remaining, 234.425781 MB of memory in use. ENERGY: 3712600 3909.0540 20618.7120 14541.9062 249.6864 -203452.1217 2459.6268 0.0000 0.0000 52106.8567 -109566.2798 299.4588 -161673.1364 -109204.0114 299.0454 62.8894 86.7877 761206.3559 -5.4142 -5.5145 PRESSURE: 3712800 -99.1434 -102.925 99.6386 -102.925 239.442 344.721 99.6386 344.721 361.474 GPRESSURE: 3712800 -63.7826 -202.883 79.5137 -144.618 221.307 350.694 55.834 358.805 439.612 PRESSAVG: 3712800 5.04548 -43.2193 -8.68552 -43.2193 11.6255 18.7617 -8.68557 18.7617 -4.43134 GPRESSAVG: 3712800 4.63306 -42.0483 -8.66242 -40.0414 11.471 17.8926 -12.7661 18.299 -3.70495 TIMING: 3712800 CPU: 11731.9, 0.00314333/step Wall: 11731.9, 0.00314333/step, 1.12392 hours remaining, 234.425781 MB of memory in use. ENERGY: 3712800 4009.6574 20589.1936 14503.5142 256.0705 -203362.7859 2638.3198 0.0000 0.0000 51930.1044 -109435.9259 298.4430 -161366.0303 -109082.9141 299.2538 167.2576 199.0456 763581.0529 4.0799 4.1330 PRESSURE: 3713000 -16.2697 202.815 -52.5828 202.814 88.2676 -138.755 -52.5824 -138.754 -129.136 GPRESSURE: 3713000 35.2464 190.254 -160.826 199.037 85.697 -205.872 19.3284 -223.608 -94.8132 PRESSAVG: 3713000 -15.2595 -41.9288 -41.8141 -41.9289 -0.645657 35.0755 -41.8141 35.0755 2.53067 GPRESSAVG: 3713000 -15.5492 -42.0005 -42.5381 -46.5853 0.298947 36.2693 -40.7725 35.7287 1.91545 TIMING: 3713000 CPU: 11732.6, 0.00316354/step Wall: 11732.6, 0.00316354/step, 1.13096 hours remaining, 234.425781 MB of memory in use. ENERGY: 3713000 3897.0302 20676.5644 14462.6983 258.5535 -203227.5654 2697.9223 0.0000 0.0000 52271.9634 -108962.8334 300.4077 -161234.7968 -108602.5914 299.2568 -19.0459 8.7101 764274.0252 -4.4582 -4.4449 PRESSURE: 3713200 -30.195 -171.056 129.528 -171.056 -10.9362 -168.239 129.527 -168.238 276.161 GPRESSURE: 3713200 -63.1082 -109.399 179.043 -159.97 73.2801 -243.039 233.448 -57.5913 298.625 PRESSAVG: 3713200 39.495 -63.7966 -31.6051 -63.7966 -73.4343 -18.7938 -31.6051 -18.7938 8.20135 GPRESSAVG: 3713200 37.7741 -63.9375 -32.0682 -62.6964 -73.1918 -19.172 -30.8788 -16.6916 9.2368 TIMING: 3713200 CPU: 11733.2, 0.00314641/step Wall: 11733.2, 0.00314641/step, 1.12467 hours remaining, 234.425781 MB of memory in use. ENERGY: 3713200 3977.4041 20595.6483 14422.8625 252.2746 -203171.1993 2752.2568 0.0000 0.0000 52181.3069 -108989.4460 299.8867 -161170.7530 -108631.2329 299.8373 78.3431 102.9324 763580.4789 -8.5793 -8.7270 PRESSURE: 3713400 -187.752 -95.3339 -294.265 -95.3341 -448.136 134.249 -294.265 134.249 -289.3 GPRESSURE: 3713400 -147.774 -163.922 -302.245 -149.282 -378.49 105.935 -249.443 119.129 -312.781 PRESSAVG: 3713400 1.36787 -58.6652 -39.4912 -58.6651 -21.4685 4.46821 -39.4912 4.46829 -0.0413743 GPRESSAVG: 3713400 2.26622 -59.3362 -39.5668 -57.0121 -21.6706 3.41183 -39.4918 3.4139 -1.55714 TIMING: 3713400 CPU: 11733.8, 0.00316077/step Wall: 11733.8, 0.00316077/step, 1.12962 hours remaining, 234.437500 MB of memory in use. ENERGY: 3713400 4053.2855 20599.2556 14449.4022 242.5525 -202915.2343 2481.7256 0.0000 0.0000 52192.0145 -108896.9984 299.9482 -161089.0129 -108540.4114 299.8473 -308.3959 -279.6814 764826.7785 -6.7140 -6.9872 PRESSURE: 3713600 -280.641 -151.52 98.8769 -151.519 -100.988 -147.862 98.8769 -147.863 -319.162 GPRESSURE: 3713600 -200.216 -65.1167 -5.32683 -201.542 -139.038 -114.878 73.2171 0.515398 -272.585 PRESSAVG: 3713600 13.0399 -43.5706 -10.9601 -43.5706 11.4606 56.1867 -10.9601 56.1867 -9.23721 GPRESSAVG: 3713600 13.7172 -44.1447 -11.1687 -43.8721 10.5907 58.5478 -11.4586 56.0199 -8.86143 TIMING: 3713600 CPU: 11734.5, 0.00316239/step Wall: 11734.5, 0.00316239/step, 1.13003 hours remaining, 234.437500 MB of memory in use. ENERGY: 3713600 3942.9085 20547.3757 14411.1154 247.9876 -203216.3957 2672.5605 0.0000 0.0000 52441.4301 -108953.0178 301.3816 -161394.4479 -108583.3712 300.2968 -233.5970 -203.9460 764118.5086 5.0878 5.1488 PRESSURE: 3713800 235.068 -58.651 -86.534 -58.6516 142.739 -229.818 -86.5343 -229.819 429.223 GPRESSURE: 3713800 241.209 -110.269 -56.5737 49.4054 198.417 -257.765 -56.1924 -217.232 428.369 PRESSAVG: 3713800 26.4048 -28.9026 4.1741 -28.9026 -10.5629 39.4609 4.17404 39.4608 2.02841 GPRESSAVG: 3713800 26.5909 -27.7307 4.40408 -30.4406 -10.9474 38.9987 3.85792 38.8392 1.77277 TIMING: 3713800 CPU: 11735.1, 0.00316165/step Wall: 11735.1, 0.00316165/step, 1.12959 hours remaining, 234.437500 MB of memory in use. ENERGY: 3713800 3942.6567 20702.5137 14480.9144 229.4911 -203431.0858 2868.7846 0.0000 0.0000 52098.4429 -109108.2824 299.4105 -161206.7254 -108739.5831 299.9560 269.0100 289.3317 762061.2937 5.9568 5.8054 PRESSURE: 3714000 179.292 -68.4555 80.6238 -68.4556 193.505 -76.5413 80.6235 -76.5412 241.105 GPRESSURE: 3714000 144.08 -154.937 152.664 -91.208 257.698 -44.305 9.11345 -83.4598 280.202 PRESSAVG: 3714000 -17.4888 -21.1904 -4.67314 -21.1904 4.34879 37.6045 -4.67315 37.6044 12.8609 GPRESSAVG: 3714000 -19.0166 -22.8252 -5.35141 -19.5999 5.8302 36.9562 -4.08863 39.1027 12.5318 TIMING: 3714000 CPU: 11735.7, 0.00317936/step Wall: 11735.7, 0.00317936/step, 1.13574 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: 3714000 3993.5896 20629.5329 14422.4147 253.4159 -203408.7384 2672.7809 0.0000 0.0000 52273.1812 -109163.8233 300.4147 -161437.0045 -108800.8266 299.9672 204.6341 227.3269 761612.9930 -0.0931 -0.2182 PRESSURE: 3714200 1.88742 22.6483 -11.8368 22.6475 30.678 50.7693 -11.8368 50.769 -193.083 GPRESSURE: 3714200 29.0887 103.224 -38.9794 -5.11776 81.6473 -14.9807 -54.5578 63.0396 -162.998 PRESSAVG: 3714200 5.65963 -43.0804 -43.9479 -43.0805 27.3982 43.125 -43.9479 43.125 18.4519 GPRESSAVG: 3714200 4.95335 -40.5579 -44.5257 -43.315 26.8078 43.1909 -42.2319 39.3078 20.2718 TIMING: 3714200 CPU: 11736.4, 0.00316689/step Wall: 11736.4, 0.00316689/step, 1.13111 hours remaining, 234.437500 MB of memory in use. ENERGY: 3714200 4024.1425 20525.3467 14440.2295 261.3774 -203415.5962 2773.9981 0.0000 0.0000 52302.1431 -109088.3589 300.5811 -161390.5020 -108729.5928 299.9669 -53.5058 -17.4206 761605.8133 17.1699 17.3443 PRESSURE: 3714400 -220.595 -242.136 -374.683 -242.136 -159.607 169.234 -374.684 169.233 -262.727 GPRESSURE: 3714400 -184.469 -205.596 -300.704 -179.286 -176.057 120.311 -324.382 69.233 -191.817 PRESSAVG: 3714400 6.56444 -19.7529 -41.8315 -19.7529 -52.573 45.857 -41.8315 45.857 -8.18549 GPRESSAVG: 3714400 9.1295 -19.274 -41.4021 -19.4694 -52.6518 45.9322 -42.4874 48.0321 -10.8459 TIMING: 3714400 CPU: 11737, 0.00316017/step Wall: 11737, 0.00316017/step, 1.12853 hours remaining, 234.437500 MB of memory in use. ENERGY: 3714400 4019.5379 20772.0618 14424.7664 248.9289 -202751.2763 2308.5003 0.0000 0.0000 52017.4091 -108960.0718 298.9448 -160977.4809 -108597.4381 300.0928 -214.3098 -184.1146 762691.6116 -18.0647 -18.1227 PRESSURE: 3714600 -118.527 -170.267 168.895 -170.266 194.297 -1.62144 168.894 -1.6221 -25.3351 GPRESSURE: 3714600 -20.9237 -75.7989 263.074 -114.353 157.597 -2.83879 184.128 41.4558 -17.218 PRESSAVG: 3714600 12.0378 -19.6493 13.4296 -19.6493 -24.2063 27.9907 13.4296 27.9907 -14.1362 GPRESSAVG: 3714600 11.1733 -20.6905 12.9888 -19.996 -24.7054 28.122 13.271 26.3322 -12.9014 TIMING: 3714600 CPU: 11737.6, 0.00316671/step Wall: 11737.6, 0.00316671/step, 1.13069 hours remaining, 234.437500 MB of memory in use. ENERGY: 3714600 3978.6234 20638.7330 14433.8373 240.9462 -203038.5924 2608.1888 0.0000 0.0000 52166.2955 -108971.9682 299.8004 -161138.2637 -108610.4203 300.6623 16.8119 39.8182 763189.1751 -8.7682 -8.8112 PRESSURE: 3714800 -367.164 114.461 51.8599 114.461 93.0418 -137.046 51.8604 -137.046 -122.259 GPRESSURE: 3714800 -315.515 -12.1926 112.198 126.785 152.609 -134.501 7.31352 -34.3494 -151.548 PRESSAVG: 3714800 -31.0214 -9.13847 45.5213 -9.13841 29.899 15.5321 45.5214 15.5321 -2.59585 GPRESSAVG: 3714800 -31.1275 -7.65186 46.8273 -8.52113 29.7715 14.2623 44.8097 19.2944 -2.09661 TIMING: 3714800 CPU: 11738.3, 0.00317607/step Wall: 11738.3, 0.00317607/step, 1.13386 hours remaining, 234.437500 MB of memory in use. ENERGY: 3714800 3997.8332 20551.1446 14479.8960 259.0522 -202926.9836 2444.3454 0.0000 0.0000 52069.7768 -109124.9355 299.2457 -161194.7123 -108751.6885 299.8144 -132.1272 -104.8176 763344.0153 -1.2394 -1.1508 PRESSURE: 3715000 -137.305 79.2922 76.0584 79.2925 146.139 -80.831 76.0576 -80.831 30.2504 GPRESSURE: 3715000 -81.3229 41.5142 94.7989 173.708 180.049 -30.5972 181.464 21.375 13.4118 PRESSAVG: 3715000 7.91775 -37.3958 7.62407 -37.3958 -8.41751 47.206 7.62407 47.206 14.0438 GPRESSAVG: 3715000 8.31168 -39.266 7.34894 -37.7361 -7.7606 47.4975 8.19174 46.3123 13.2711 TIMING: 3715000 CPU: 11738.9, 0.00315869/step Wall: 11738.9, 0.00315869/step, 1.12748 hours remaining, 234.437500 MB of memory in use. ENERGY: 3715000 3908.2192 20570.7914 14489.6420 237.7100 -203209.9545 2691.8004 0.0000 0.0000 52099.0298 -109212.7616 299.4138 -161311.7914 -108843.4674 299.6848 13.0282 37.3792 762360.9902 4.5147 4.6074 PRESSURE: 3715200 91.0231 -41.9698 -14.8564 -41.9694 -54.1122 -89.1388 -14.8566 -89.1397 -145.668 GPRESSURE: 3715200 127.361 -140.157 -28.0079 45.6443 -96.268 -110.905 -15.4761 -160.052 -53.5017 PRESSAVG: 3715200 74.6578 -49.1605 -2.66187 -49.1605 -91.8576 -10.468 -2.66191 -10.4681 14.3031 GPRESSAVG: 3715200 73.9277 -49.1987 -2.75863 -49.8787 -91.9499 -9.95971 -2.23568 -10.5444 15.0443 TIMING: 3715200 CPU: 11739.5, 0.00316421/step Wall: 11739.5, 0.00316421/step, 1.12927 hours remaining, 234.437500 MB of memory in use. ENERGY: 3715200 4067.9247 20584.4385 14430.6173 235.7746 -203181.4777 2669.4037 0.0000 0.0000 51876.6400 -109316.6788 298.1358 -161193.3189 -108956.4144 299.2604 -36.2524 -7.4695 760241.0153 -0.9655 -0.9926 PRESSURE: 3715400 81.6894 15.6206 310.477 15.6203 228.051 59.361 310.477 59.3602 103.24 GPRESSURE: 3715400 102.433 60.486 262.312 -28.5979 226.806 28.9651 222.067 98.6062 185.589 PRESSAVG: 3715400 -18.412 -55.3052 4.12652 -55.3051 -18.5327 6.8637 4.12649 6.86374 19.2445 GPRESSAVG: 3715400 -18.5863 -53.8052 4.29863 -56.7362 -17.8997 5.29244 2.20952 4.2234 19.0391 TIMING: 3715400 CPU: 11740.2, 0.00315856/step Wall: 11740.2, 0.00315856/step, 1.12708 hours remaining, 234.437500 MB of memory in use. ENERGY: 3715400 3950.6139 20652.4259 14433.1182 244.7239 -203299.0358 2630.4659 0.0000 0.0000 52016.0484 -109371.6396 298.9369 -161387.6880 -109012.4474 299.2660 137.6601 171.6094 761654.6784 -5.9001 -5.8156 PRESSURE: 3715600 104.553 -107.492 -68.762 -107.492 49.2952 106.405 -68.7616 106.404 114.485 GPRESSURE: 3715600 97.9166 -38.8869 -36.0181 -127.833 27.4531 160.155 -110.965 127.129 239.029 PRESSAVG: 3715600 -21.2397 -25.1713 6.9307 -25.1712 -3.50385 -9.99426 6.93068 -9.99416 21.5697 GPRESSAVG: 3715600 -20.73 -25.8904 7.15108 -24.4634 -3.89133 -8.63517 8.35331 -6.68877 21.4528 TIMING: 3715600 CPU: 11740.8, 0.00316559/step Wall: 11740.8, 0.00316559/step, 1.12941 hours remaining, 234.437500 MB of memory in use. ENERGY: 3715600 3992.8925 20744.4838 14416.6102 258.4476 -203440.6555 2741.1858 0.0000 0.0000 51906.1457 -109380.8899 298.3053 -161287.0356 -109020.5391 298.9372 89.4442 121.4662 762562.4993 -1.0579 -1.0562 PRESSURE: 3715800 -38.0437 168.323 -302.054 168.323 -453.723 -42.9404 -302.054 -42.9418 83.4775 GPRESSURE: 3715800 38.8241 81.8581 -350.954 78.7315 -362.41 -86.1129 -207.69 87.5526 -16.4613 PRESSAVG: 3715800 63.1519 11.0859 -2.08783 11.0859 -68.8277 25.083 -2.08788 25.083 9.14204 GPRESSAVG: 3715800 61.9847 10.7022 -3.87424 11.5152 -67.1844 24.1725 -1.27801 24.73 8.44514 TIMING: 3715800 CPU: 11741.4, 0.00316636/step Wall: 11741.4, 0.00316636/step, 1.12951 hours remaining, 234.437500 MB of memory in use. ENERGY: 3715800 3939.6157 20496.1500 14481.2658 250.7902 -203013.3420 2376.1553 0.0000 0.0000 52237.3738 -109231.9912 300.2089 -161469.3649 -108864.5695 299.2019 -136.0965 -113.3490 762985.4672 1.1554 1.0818 PRESSURE: 3716000 -334.242 -109.337 9.72865 -109.337 31.4859 -172.131 9.72842 -172.131 -207.176 GPRESSURE: 3716000 -253.292 -19.3946 -36.3645 -162.158 -36.2366 -231.744 32.4612 -151.18 -131.248 PRESSAVG: 3716000 23.44 -27.8504 34.0767 -27.8504 -16.6803 -28.5985 34.0768 -28.5985 6.13395 GPRESSAVG: 3716000 24.9568 -28.2966 34.9619 -27.627 -19.4682 -29.2655 33.5926 -28.5129 7.47464 TIMING: 3716000 CPU: 11742.1, 0.00315895/step Wall: 11742.1, 0.00315895/step, 1.12669 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: 3716000 4054.2777 20591.3225 14430.5805 248.2188 -203395.0776 2616.6038 0.0000 0.0000 52089.0885 -109364.9858 299.3567 -161454.0743 -109009.2955 299.2163 -169.9773 -140.2590 761417.6529 4.2979 4.3211 PRESSURE: 3716200 -162.089 39.1163 310.809 39.1159 -447.904 -11.9048 310.809 -11.9049 -484.204 GPRESSURE: 3716200 -156.896 18.6264 302.686 56.6811 -443.144 -14.9372 358.244 57.4008 -411.793 PRESSAVG: 3716200 -16.8564 -3.97412 -16.3237 -3.97417 15.1082 7.35933 -16.3238 7.35926 -3.06501 GPRESSAVG: 3716200 -15.3122 -5.5071 -17.1084 -4.14023 14.7279 7.81736 -12.8062 4.91699 -3.87092 TIMING: 3716200 CPU: 11742.7, 0.00316143/step Wall: 11742.7, 0.00316143/step, 1.1274 hours remaining, 234.437500 MB of memory in use. ENERGY: 3716200 4041.4145 20560.8569 14473.6285 255.9803 -203107.8323 2508.6616 0.0000 0.0000 51981.2169 -109286.0734 298.7368 -161267.2904 -108926.2227 299.7545 -364.7320 -337.2778 762579.0074 -1.6044 -1.4851 LDB: ============= START OF LOAD BALANCING ============== 11755.2 LDB: ============== END OF LOAD BALANCING =============== 11755.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11755.2 LDB: ============= START OF LOAD BALANCING ============== 11755.6 LDB: Largest compute 7027 load 0.033355 is 17.0% of average load 0.195781 LDB: Average compute 0.004389 is 2.2% of average load 0.195781 LDB: TIME 11755.6 LOAD: AVG 0.195781 MAX 0.215865 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.25 MB LDB: TIME 11755.6 LOAD: AVG 0.195781 MAX 0.215865 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.48 MB LDB: TIME 11755.6 LOAD: AVG 0.195781 MAX 0.215865 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.48 MB LDB: ============== END OF LOAD BALANCING =============== 11755.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11755.6 PRESSURE: 3716400 -336.612 -58.0974 -243.949 -58.0982 -63.8262 17.4914 -243.95 17.4915 -238.285 GPRESSURE: 3716400 -321.046 -91.3794 -303.255 -145.944 13.1623 65.087 -203.713 37.5944 -252.97 PRESSAVG: 3716400 40.269 -16.3004 52.8658 -16.3004 -47.4703 8.43433 52.8658 8.43429 18.4768 GPRESSAVG: 3716400 37.6281 -16.0552 55.2273 -15.0557 -45.1323 10.0238 49.1333 9.6127 18.7417 TIMING: 3716400 CPU: 11743.3, 0.0032285/step Wall: 11743.3, 0.0032285/step, 1.15114 hours remaining, 235.257812 MB of memory in use. ENERGY: 3716400 4025.3836 20522.9508 14561.6992 241.2578 -202963.6437 2467.6581 0.0000 0.0000 51895.8841 -109248.8101 298.2464 -161144.6942 -108881.3501 299.5713 -212.9078 -186.9511 761670.7770 3.7585 3.7458 PRESSURE: 3716600 69.4094 45.2535 34.5981 45.2532 -360.562 -175.597 34.598 -175.596 -343.056 GPRESSURE: 3716600 -12.6747 49.8237 9.54413 42.8245 -184.609 -117.484 -33.2136 -130.118 -339.901 PRESSAVG: 3716600 21.6365 16.048 9.79128 16.0481 5.10052 -26.4558 9.79126 -26.4557 10.9907 GPRESSAVG: 3716600 23.217 17.1971 8.51155 15.839 3.2389 -28.4807 11.2066 -26.6432 11.551 TIMING: 3716600 CPU: 11744, 0.00316053/step Wall: 11744, 0.00316053/step, 1.12673 hours remaining, 235.257812 MB of memory in use. ENERGY: 3716600 3843.3565 20632.5639 14462.0728 255.0856 -202806.1304 2439.6811 0.0000 0.0000 52030.4106 -109142.9599 299.0195 -161173.3705 -108780.1100 299.6196 -211.4029 -179.0613 761130.4430 12.5759 12.6690 PRESSURE: 3716800 -61.0742 41.3104 104.406 41.311 -316.324 137.876 104.405 137.875 73.6125 GPRESSURE: 3716800 -92.7051 -99.1814 123.867 43.9422 -191.467 148.673 83.3268 116.799 79.4057 PRESSAVG: 3716800 -2.55174 6.13014 -15.5971 6.1301 28.615 -2.61617 -15.597 -2.61619 5.51975 GPRESSAVG: 3716800 -2.43373 4.50974 -15.5066 6.37315 28.6217 -1.07822 -15.5966 -3.76555 5.07742 TIMING: 3716800 CPU: 11744.6, 0.00314107/step Wall: 11744.6, 0.00314107/step, 1.11962 hours remaining, 235.257812 MB of memory in use. ENERGY: 3716800 4005.2416 20561.0994 14457.9553 228.2959 -202836.4807 2604.0111 0.0000 0.0000 51908.7607 -109071.1166 298.3204 -160979.8773 -108709.2770 299.3533 -101.2619 -68.2554 762924.5519 10.5277 10.4218 PRESSURE: 3717000 -269.618 -80.4074 85.5814 -80.4072 -90.4406 -103.205 85.5807 -103.205 -80.9248 GPRESSURE: 3717000 -222.284 -149.892 75.3008 41.658 -19.9967 -104.445 -36.078 -150.031 -97.8968 PRESSAVG: 3717000 20.8977 51.0176 -21.5341 51.0178 10.3522 13.5705 -21.534 13.5705 15.949 GPRESSAVG: 3717000 21.423 51.5841 -21.3395 50.6265 11.0519 13.3292 -23.1545 15.4143 14.5728 TIMING: 3717000 CPU: 11745.2, 0.00314456/step Wall: 11745.2, 0.00314456/step, 1.12069 hours remaining, 235.257812 MB of memory in use. ENERGY: 3717000 4044.8936 20413.9027 14463.3083 224.0722 -202852.1523 2367.3958 0.0000 0.0000 52270.3471 -109068.2326 300.3984 -161338.5797 -108711.6073 299.5444 -146.9944 -113.3926 763937.3283 15.7330 15.6826 PRESSURE: 3717200 221.53 -102.193 -95.6356 -102.192 -159.289 2.23166 -95.636 2.23067 -467.193 GPRESSURE: 3717200 208.86 -12.7352 -131.293 -74.5636 -120.85 -70.1059 -113.259 45.5334 -397.24 PRESSAVG: 3717200 3.44614 -89.5769 -12.1352 -89.5769 -65.3928 -33.3225 -12.1352 -33.3224 -13.6552 GPRESSAVG: 3717200 2.40174 -89.352 -13.6119 -89.6088 -65.2568 -34.1571 -10.949 -36.2325 -12.6956 TIMING: 3717200 CPU: 11745.9, 0.00315573/step Wall: 11745.9, 0.00315573/step, 1.12449 hours remaining, 235.257812 MB of memory in use. ENERGY: 3717200 3981.1854 20694.9009 14439.4699 233.6673 -202781.7979 2425.4393 0.0000 0.0000 51972.0515 -109035.0836 298.6841 -161007.1351 -108683.0818 299.9208 -134.9838 -103.0766 762619.1990 -25.2006 -25.1836 PRESSURE: 3717400 229.476 21.7278 -30.5003 21.7277 517.202 205.142 -30.4987 205.142 -309.442 GPRESSURE: 3717400 367.297 -2.98918 -46.1008 -41.481 423.782 180 21.6012 190.597 -272.793 PRESSAVG: 3717400 -5.25973 -64.516 -18.4304 -64.516 13.8282 -37.4147 -18.4304 -37.4146 -1.10421 GPRESSAVG: 3717400 -4.92322 -64.5506 -17.3522 -64.5975 13.8296 -37.2181 -17.5101 -36.12 -1.40265 TIMING: 3717400 CPU: 11746.5, 0.00313729/step Wall: 11746.5, 0.0031373/step, 1.11775 hours remaining, 235.257812 MB of memory in use. ENERGY: 3717400 3983.6976 20573.0228 14403.7510 252.7154 -203287.2380 2769.3185 0.0000 0.0000 52078.6156 -109226.1171 299.2965 -161304.7327 -108866.9255 299.3924 145.7453 172.7621 762533.4684 2.4881 2.5012 PRESSURE: 3717600 -273.984 5.08734 -44.3427 5.08732 32.2373 -36.5385 -44.3424 -36.5378 -569.627 GPRESSURE: 3717600 -331.201 64.4037 57.1141 -42.5435 130.196 -17.6775 -30.6408 -6.67468 -517.469 PRESSAVG: 3717600 27.2254 6.1011 -33.7047 6.10107 16.6095 12.6032 -33.7047 12.6032 -12.4226 GPRESSAVG: 3717600 27.2023 6.44699 -32.9345 5.14469 16.3178 12.6052 -34.1498 12.337 -12.0949 TIMING: 3717600 CPU: 11747.1, 0.00313594/step Wall: 11747.1, 0.00313594/step, 1.11709 hours remaining, 235.257812 MB of memory in use. ENERGY: 3717600 3860.2913 20625.8931 14429.4747 240.9241 -202909.1190 2311.3573 0.0000 0.0000 52321.7013 -109119.4773 300.6935 -161441.1785 -108750.7490 299.6330 -270.4581 -239.4912 762052.0263 10.4708 10.4751 PRESSURE: 3717800 -50.4603 124.893 23.4757 124.893 -34.6719 0.923918 23.4752 0.923905 -292.784 GPRESSURE: 3717800 27.4143 75.7833 107.564 35.1645 -40.0882 30.3255 27.172 49.3675 -281.101 PRESSAVG: 3717800 -0.317171 -51.7112 -9.04027 -51.7111 -15.3682 15.8744 -9.04029 15.8744 15.5027 GPRESSAVG: 3717800 0.351822 -51.3949 -9.35782 -51.5422 -15.6039 17.0532 -8.25893 15.5485 15.1113 TIMING: 3717800 CPU: 11747.7, 0.00315333/step Wall: 11747.7, 0.00315333/step, 1.12311 hours remaining, 235.257812 MB of memory in use. ENERGY: 3717800 3980.3475 20702.9007 14413.5481 229.1853 -203036.1550 2381.7685 0.0000 0.0000 52086.9173 -109241.4876 299.3442 -161328.4049 -108888.5384 299.6156 -125.9719 -97.9249 760287.0377 -0.0609 -0.0469 PRESSURE: 3718000 8.63977 -60.0128 62.8552 -60.0125 194.819 -39.035 62.8555 -39.0348 376.102 GPRESSURE: 3718000 190.362 -80.1648 75.0477 -84.2882 57.1523 -27.0211 114.103 -70.5064 437.432 PRESSAVG: 3718000 21.688 -39.0219 -8.92046 -39.022 -24.5358 -2.78944 -8.92052 -2.78948 4.5734 GPRESSAVG: 3718000 21.3558 -38.4717 -8.63056 -37.3035 -24.441 -5.75921 -9.00046 -2.31882 5.15895 TIMING: 3718000 CPU: 11748.4, 0.00314398/step Wall: 11748.4, 0.00314398/step, 1.11961 hours remaining, 235.257812 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: 3718000 4009.3163 20585.9068 14390.1225 247.3752 -203464.4135 2955.7229 0.0000 0.0000 52144.0456 -109131.9241 299.6725 -161275.9698 -108773.8149 299.6811 193.1868 228.3155 762547.4073 0.5752 0.6913 PRESSURE: 3718200 -430.118 24.3973 108.865 24.3977 -304.33 36.9034 108.865 36.9018 -474.954 GPRESSURE: 3718200 -419.605 42.4815 145.046 11.1515 -250.162 23.889 32.5422 8.40202 -444.341 PRESSAVG: 3718200 44.5864 -44.0018 16.4531 -44.0018 -36.1213 31.3941 16.4531 31.3941 -12.7531 GPRESSAVG: 3718200 44.2814 -43.7849 15.3192 -46.3933 -36.7908 32.7495 14.9949 31.0739 -11.602 TIMING: 3718200 CPU: 11749, 0.00317177/step Wall: 11749, 0.00317177/step, 1.12933 hours remaining, 235.257812 MB of memory in use. ENERGY: 3718200 3966.5246 20654.5259 14432.2894 250.5189 -203226.4852 2716.6018 0.0000 0.0000 52086.1318 -109119.8927 299.3397 -161206.0245 -108752.3273 299.7805 -403.1341 -371.3695 764410.8047 -1.4293 -1.3704 PRESSURE: 3718400 154.826 -127.966 -371.15 -127.966 223.569 -37.8727 -371.15 -37.8721 -2.88106 GPRESSURE: 3718400 112.587 -135.151 -270.606 -172.536 335.261 38.5651 -178.914 23.3736 26.0779 PRESSAVG: 3718400 9.32185 -30.0209 -24.432 -30.0208 -14.3744 38.1847 -24.432 38.1847 -1.20332 GPRESSAVG: 3718400 9.96579 -31.0454 -23.5529 -28.6341 -14.9953 39.4573 -21.693 40.139 -1.67062 TIMING: 3718400 CPU: 11749.6, 0.00317642/step Wall: 11749.6, 0.00317642/step, 1.13081 hours remaining, 235.343750 MB of memory in use. ENERGY: 3718400 3988.7149 20572.4785 14425.5546 251.9222 -203565.7025 2875.8292 0.0000 0.0000 51977.0909 -109474.1123 298.7131 -161451.2032 -109116.4030 299.1423 125.1710 157.9753 761554.0533 -2.0853 -2.2334 PRESSURE: 3718600 58.8717 -162.44 110.517 -162.44 -27.4353 -394.39 110.516 -394.389 0.990302 GPRESSURE: 3718600 100.235 -313.715 26.2231 -174.093 -32.0366 -424.857 201.395 -345.718 64.7789 PRESSAVG: 3718600 16.7875 1.6805 -35.0674 1.68048 24.9798 -7.73029 -35.0674 -7.73031 1.57401 GPRESSAVG: 3718600 15.9241 0.419947 -35.6797 4.34831 25.6881 -7.72073 -35.7865 -9.43522 1.24153 TIMING: 3718600 CPU: 11750.3, 0.00314639/step Wall: 11750.3, 0.00314639/step, 1.11994 hours remaining, 235.343750 MB of memory in use. ENERGY: 3718600 3954.8769 20566.5305 14372.2153 245.2292 -203204.8055 2506.4685 0.0000 0.0000 52169.7401 -109389.7449 299.8202 -161559.4850 -109026.8766 299.0237 10.8089 44.3258 763036.9970 14.4471 14.2846 PRESSURE: 3718800 -677.387 194.384 -172.184 194.383 67.02 -42.6994 -172.184 -42.6989 175.202 GPRESSURE: 3718800 -601.276 173.172 -150.566 216.798 142.785 -42.8881 -169.964 -83.8269 109.966 PRESSAVG: 3718800 -23.499 -42.3269 -45.8154 -42.3269 80.4888 41.381 -45.8155 41.381 -13.0066 GPRESSAVG: 3718800 -23.3606 -41.6952 -45.4281 -44.0214 80.6601 40.3027 -45.2067 39.1584 -13.3361 TIMING: 3718800 CPU: 11750.9, 0.00314562/step Wall: 11750.9, 0.00314562/step, 1.11949 hours remaining, 235.343750 MB of memory in use. ENERGY: 3718800 3958.6406 20560.7624 14402.4773 232.8087 -203531.1273 2793.9421 0.0000 0.0000 52047.1914 -109535.3048 299.1159 -161582.4962 -109167.0004 298.8643 -145.0548 -116.1749 762463.9715 14.6611 14.6545 PRESSURE: 3719000 -145.731 12.7878 -127.883 12.7873 -126.71 160.18 -127.883 160.181 -86.7985 GPRESSURE: 3719000 -213.304 53.6759 -171.877 61.9931 -54.423 90.1498 -152.315 77.8828 1.43976 PRESSAVG: 3719000 -37.052 -27.9597 -12.037 -27.9597 34.2298 19.2753 -12.037 19.2752 0.118259 GPRESSAVG: 3719000 -36.1286 -27.8534 -11.5315 -27.7382 32.8505 20.1721 -12.446 20.4635 0.628286 TIMING: 3719000 CPU: 11751.5, 0.00313844/step Wall: 11751.5, 0.00313844/step, 1.11676 hours remaining, 235.343750 MB of memory in use. ENERGY: 3719000 3977.9866 20618.5542 14333.7307 242.1202 -202787.1466 2373.6690 0.0000 0.0000 51979.4704 -109261.6156 298.7267 -161241.0859 -108895.6637 299.3667 -119.7466 -88.7624 763863.9075 -0.9013 -0.8833 PRESSURE: 3719200 205.623 -180.396 84.0274 -180.396 -121.768 198.511 84.0274 198.511 -37.5178 GPRESSURE: 3719200 294.525 -137.968 71.6632 -163.135 -145.242 203.717 80.3623 140.678 -19.4441 PRESSAVG: 3719200 -55.2433 -18.157 -33.8559 -18.1569 44.7937 -6.13789 -33.8559 -6.13781 9.29482 GPRESSAVG: 3719200 -55.1566 -18.0156 -36.0339 -20.1202 45.6533 -6.15567 -33.1549 -5.92902 8.24587 TIMING: 3719200 CPU: 11752.2, 0.0031412/step Wall: 11752.2, 0.0031412/step, 1.11757 hours remaining, 235.343750 MB of memory in use. ENERGY: 3719200 4048.3091 20433.3759 14425.6994 251.3328 -203226.6312 2702.5973 0.0000 0.0000 52152.8711 -109212.4457 299.7233 -161365.3168 -108846.1401 299.5055 15.4458 43.2798 761885.7453 -0.3849 -0.4192 PRESSURE: 3719400 309.259 191.366 140.382 191.366 133.054 -72.2337 140.381 -72.2335 213.39 GPRESSURE: 3719400 295.259 217.269 69.859 224.542 229.295 -15.7044 37.5032 -66.9365 222.275 PRESSAVG: 3719400 -15.3728 -37.5515 24.1877 -37.5515 40.8272 -5.04396 24.1877 -5.04399 13.0613 GPRESSAVG: 3719400 -16.1363 -37.4587 25.5095 -35.3985 41.3527 -6.07538 21.5929 -4.9321 13.0935 TIMING: 3719400 CPU: 11752.8, 0.00315808/step Wall: 11752.8, 0.00315808/step, 1.1234 hours remaining, 235.343750 MB of memory in use. ENERGY: 3719400 4079.5990 20600.7592 14451.8417 231.6416 -203544.2478 2968.9447 0.0000 0.0000 51872.0731 -109339.3884 298.1095 -161211.4615 -108990.8966 299.7002 218.5675 248.9431 759328.6533 12.8386 12.7699 PRESSURE: 3719600 -509.702 -105.439 -297.399 -105.439 74.8002 -11.8609 -297.399 -11.8617 -107.19 GPRESSURE: 3719600 -369.804 -145.675 -281.575 -17.2787 -15.0272 58.1361 -175.021 28.4321 -82.7793 PRESSAVG: 3719600 -18.525 -10.0367 -25.3562 -10.0366 41.4611 20.9963 -25.3561 20.9962 5.64202 GPRESSAVG: 3719600 -17.6503 -10.4974 -26.0308 -9.91492 40.019 22.541 -22.8424 20.3368 6.20115 TIMING: 3719600 CPU: 11753.4, 0.00316001/step Wall: 11753.4, 0.00316001/step, 1.12391 hours remaining, 235.343750 MB of memory in use. ENERGY: 3719600 4018.9299 20600.4650 14468.0472 253.7147 -203239.3316 2492.6672 0.0000 0.0000 52138.8391 -109266.6685 299.6426 -161405.5076 -108910.9067 299.7926 -180.6971 -155.8701 762320.0612 9.5260 9.5233 PRESSURE: 3719800 412.382 131.423 -149.145 131.422 -48.9483 75.5205 -149.145 75.5201 -504.479 GPRESSURE: 3719800 331.564 148.013 -213.531 45.9964 42.967 105.672 -97.2535 41.0046 -434.746 PRESSAVG: 3719800 -14.4751 -9.2405 -29.8191 -9.24047 22.8638 22.0624 -29.8192 22.0623 -2.25803 GPRESSAVG: 3719800 -15.8762 -8.58317 -29.0153 -10.2296 23.6927 21.5612 -30.6341 21.8028 -1.92234 TIMING: 3719800 CPU: 11754.1, 0.00313872/step Wall: 11754.1, 0.00313872/step, 1.11616 hours remaining, 235.343750 MB of memory in use. ENERGY: 3719800 4037.3015 20565.2178 14463.8959 242.2402 -202472.7747 2171.8349 0.0000 0.0000 51990.6578 -109001.6266 298.7910 -160992.2844 -108634.3510 299.8802 -47.0152 -20.0716 762026.2191 2.0435 1.9647 PRESSURE: 3720000 -6.87866 -106.245 99.8739 -106.246 -43.4389 34.4823 99.874 34.4827 -96.8687 GPRESSURE: 3720000 32.8598 -86.2518 93.054 -37.7644 -57.8768 31.2151 96.6257 75.1257 -28.1277 PRESSAVG: 3720000 -72.2399 -8.12209 -29.1427 -8.12205 75.3063 0.912868 -29.1427 0.912806 -11.4413 GPRESSAVG: 3720000 -71.5931 -7.37982 -30.7744 -8.91057 75.9228 -0.311492 -29.2634 1.27862 -12.81 TIMING: 3720000 CPU: 11754.7, 0.00315028/step Wall: 11754.7, 0.00315028/step, 1.1201 hours remaining, 235.343750 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: 3720000 3973.9898 20377.2181 14432.1598 249.1381 -203444.1109 2655.2629 0.0000 0.0000 52527.6026 -109228.7396 301.8769 -161756.3421 -108854.9701 300.1741 -49.0621 -17.7149 762510.8323 -2.7916 -2.8268 PRESSURE: 3720200 -625.126 -37.8684 151.633 -37.8683 86.0475 -67.3227 151.634 -67.323 -601.308 GPRESSURE: 3720200 -563.435 -7.96596 189.679 10.042 84.0196 -154.754 -14.6207 51.9167 -559.663 PRESSAVG: 3720200 -36.4158 -57.0501 20.1263 -57.0501 47.1681 16.3543 20.1262 16.3544 6.11085 GPRESSAVG: 3720200 -35.3271 -58.754 22.4159 -56.2474 45.566 16.4947 17.8528 16.159 6.47301 TIMING: 3720200 CPU: 11755.3, 0.00313209/step Wall: 11755.3, 0.00313209/step, 1.11346 hours remaining, 235.343750 MB of memory in use. ENERGY: 3720200 4117.6462 20352.1850 14471.5236 246.4281 -202924.8564 2275.4933 0.0000 0.0000 52191.9638 -109269.6165 299.9479 -161461.5803 -108897.9450 299.7397 -380.1287 -346.3594 762447.1811 5.6211 5.5706 LDB: ============= START OF LOAD BALANCING ============== 11767.8 LDB: ============== END OF LOAD BALANCING =============== 11767.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11767.8 LDB: ============= START OF LOAD BALANCING ============== 11768.2 LDB: Largest compute 7075 load 0.031493 is 16.1% of average load 0.195639 LDB: Average compute 0.004394 is 2.2% of average load 0.195639 LDB: TIME 11768.2 LOAD: AVG 0.195639 MAX 0.211402 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.723 MB LDB: TIME 11768.2 LOAD: AVG 0.195639 MAX 0.211402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: TIME 11768.2 LOAD: AVG 0.195639 MAX 0.211402 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.926 MB LDB: ============== END OF LOAD BALANCING =============== 11768.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11768.2 PRESSURE: 3720400 -359.839 69.9426 -95.5332 69.9428 -269.908 -49.9738 -95.5342 -49.9729 216.951 GPRESSURE: 3720400 -226.23 63.1748 -187.048 41.5159 -268.795 10.2806 -151.1 -176.563 152.77 PRESSAVG: 3720400 2.74336 -29.9388 -57.4852 -29.9388 -5.93374 46.1297 -57.4852 46.1298 9.24126 GPRESSAVG: 3720400 2.38841 -28.6798 -58.6734 -29.3213 -5.54931 47.7438 -55.2562 46.8658 8.97521 TIMING: 3720400 CPU: 11756, 0.00322136/step Wall: 11756, 0.00322136/step, 1.14501 hours remaining, 236.164062 MB of memory in use. ENERGY: 3720400 3972.9125 20657.2709 14405.9628 249.0112 -203142.2362 2603.5731 0.0000 0.0000 51954.6712 -109298.8345 298.5842 -161253.5057 -108951.9764 299.3315 -137.5983 -114.0851 762392.6405 2.0170 1.9381 PRESSURE: 3720600 -217.096 -140.008 -57.1263 -140.007 -495.309 65.2174 -57.1264 65.2187 -243.637 GPRESSURE: 3720600 -252.432 -136.489 -82.5722 -152.617 -427.725 96.2341 25.5917 11.9204 -215.697 PRESSAVG: 3720600 -34.2648 25.8717 -39.6934 25.8717 43.8449 44.044 -39.6933 44.044 17.3538 GPRESSAVG: 3720600 -33.949 24.9119 -39.0088 24.495 43.7385 42.851 -39.5522 44.2832 17.4117 TIMING: 3720600 CPU: 11756.6, 0.00314618/step Wall: 11756.6, 0.00314618/step, 1.11812 hours remaining, 236.164062 MB of memory in use. ENERGY: 3720600 3934.4118 20692.3173 14344.3042 245.7237 -202927.8088 2323.0328 0.0000 0.0000 52016.7081 -109371.3107 298.9407 -161388.0189 -109000.5734 299.4938 -318.6808 -298.6181 762381.9989 8.9780 9.0671 PRESSURE: 3720800 -141.678 -7.68225 -96.0537 -7.68226 -253.589 66.5487 -96.053 66.5499 70.9406 GPRESSURE: 3720800 -91.829 -80.7738 -63.2985 -37.574 -216.309 49.719 -79.7391 8.31682 57.5324 PRESSAVG: 3720800 -5.7524 30.6528 -26.4717 30.6528 14.6893 22.0723 -26.4718 22.0724 -4.15733 GPRESSAVG: 3720800 -5.89461 33.5139 -24.7931 28.278 14.736 22.4125 -27.1022 19.4925 -3.40804 TIMING: 3720800 CPU: 11757.2, 0.00313252/step Wall: 11757.2, 0.00313252/step, 1.11309 hours remaining, 236.164062 MB of memory in use. ENERGY: 3720800 4056.3651 20628.3766 14412.6822 262.2026 -203385.1425 2713.7696 0.0000 0.0000 51915.8793 -109395.8671 298.3613 -161311.7464 -109036.4512 298.8367 -108.1089 -83.5354 761365.1114 1.5932 1.8111 PRESSURE: 3721000 83.5731 -66.1706 81.5971 -66.1713 -90.6831 4.54156 81.5969 4.54087 -8.71307 GPRESSURE: 3721000 -6.70167 10.5705 117.967 -52.5864 59.2839 -100.962 -58.1366 113.955 7.80966 PRESSAVG: 3721000 -17.4353 -13.8788 -82.4166 -13.8788 -3.385 38.6267 -82.4165 38.6268 13.7826 GPRESSAVG: 3721000 -17.765 -13.9494 -85.3829 -12.8298 -3.83505 38.2078 -83.7231 41.4437 14.6912 TIMING: 3721000 CPU: 11757.8, 0.00316464/step Wall: 11757.8, 0.00316464/step, 1.12433 hours remaining, 236.164062 MB of memory in use. ENERGY: 3721000 4035.5803 20423.2975 14384.9137 247.2094 -203147.3689 2529.9873 0.0000 0.0000 52004.1291 -109522.2516 298.8684 -161526.3807 -109174.4598 299.1125 -5.2744 20.1306 759935.4527 -2.3459 -2.3030 PRESSURE: 3721200 -297.886 -109.83 -85.8479 -109.829 70.9426 -79.1208 -85.8471 -79.1206 5.22176 GPRESSURE: 3721200 -187.247 -100.877 -73.6358 -127.591 43.2837 -69.6362 -130.278 -104.22 24.7924 PRESSAVG: 3721200 19.8311 -39.1991 -14.8195 -39.1991 -15.612 1.06836 -14.8195 1.06834 -9.20623 GPRESSAVG: 3721200 20.3467 -40.7343 -15.682 -38.2511 -14.3924 2.61389 -13.0017 -1.23367 -9.82207 TIMING: 3721200 CPU: 11758.5, 0.00314532/step Wall: 11758.5, 0.00314532/step, 1.11729 hours remaining, 236.164062 MB of memory in use. ENERGY: 3721200 3945.3348 20383.8377 14415.1393 241.2858 -203171.2611 2536.1416 0.0000 0.0000 51813.6745 -109835.8475 297.7739 -161649.5219 -109483.0353 299.0927 -73.9072 -39.7235 760605.1623 -1.6624 -1.2892 PRESSURE: 3721400 -297.134 188.065 -191.655 188.065 -2.24999 123.54 -191.654 123.539 54.4106 GPRESSURE: 3721400 -251.596 32.1133 -211.323 121.869 52.2023 99.5037 -248.946 37.7583 51.9549 PRESSAVG: 3721400 29.4037 -45.7866 -64.2263 -45.7866 13.7255 18.7648 -64.2263 18.7649 -0.447974 GPRESSAVG: 3721400 30.233 -47.8107 -62.1235 -44.7752 13.6225 18.1178 -64.2949 20.4954 -1.27788 TIMING: 3721400 CPU: 11759.1, 0.00314847/step Wall: 11759.1, 0.00314847/step, 1.11823 hours remaining, 236.164062 MB of memory in use. ENERGY: 3721400 3933.0198 20335.2974 14406.7773 231.2628 -203407.6629 2532.0690 0.0000 0.0000 52183.5078 -109785.7289 299.8993 -161969.2367 -109427.9833 298.7336 -81.6579 -49.1461 762026.4644 14.2271 14.1926 PRESSURE: 3721600 -133.229 -88.2608 -185.99 -88.2607 321.504 8.7863 -185.99 8.78649 -109.202 GPRESSURE: 3721600 -74.2484 -121.082 -164.279 -44.3536 289.922 -97.7808 -151.471 -2.6671 -48.5597 PRESSAVG: 3721600 3.77717 -35.6986 -26.5567 -35.6986 -26.5743 64.0569 -26.5566 64.0568 18.8204 GPRESSAVG: 3721600 3.8802 -33.4915 -27.3923 -38 -27.3 62.8779 -25.8428 63.116 19.6115 TIMING: 3721600 CPU: 11759.7, 0.00315773/step Wall: 11759.7, 0.00315773/step, 1.12134 hours remaining, 236.164062 MB of memory in use. ENERGY: 3721600 3927.1087 20279.1523 14334.1804 244.3194 -203373.2952 2712.3459 0.0000 0.0000 52089.1749 -109787.0137 299.3572 -161876.1886 -109421.8282 298.8070 26.3575 55.7047 763036.3892 -1.3256 -1.2694 PRESSURE: 3721800 14.8026 -101.742 -61.0384 -101.741 -56.2032 81.433 -61.0383 81.4328 -131.316 GPRESSURE: 3721800 -29.3163 -19.891 -151.055 -56.9635 5.01744 38.3019 -24.5338 -3.7134 -51.2006 PRESSAVG: 3721800 -17.6265 -12.764 27.0463 -12.764 -29.0946 58.6371 27.0464 58.6371 5.84693 GPRESSAVG: 3721800 -18.4604 -12.2739 26.6207 -10.865 -27.5111 59.7835 27.1987 60.6959 5.66548 TIMING: 3721800 CPU: 11760.4, 0.00317544/step Wall: 11760.4, 0.00317544/step, 1.12746 hours remaining, 236.164062 MB of memory in use. ENERGY: 3721800 3950.5580 20437.1840 14462.0076 248.7822 -203094.2848 2568.7030 0.0000 0.0000 51815.5013 -109611.5487 297.7844 -161427.0501 -109259.6047 298.2786 -57.5722 -25.1665 763436.9362 -13.6247 -13.4354 PRESSURE: 3722000 -64.3058 -135.48 -359.471 -135.48 -206.85 215.736 -359.471 215.734 -211.272 GPRESSURE: 3722000 -89.6924 -119.826 -285.489 -26.3869 -48.279 240.47 -318.172 194.444 -249.265 PRESSAVG: 3722000 -0.690968 -34.1263 -47.891 -34.1263 22.9823 51.5002 -47.891 51.5002 -8.27781 GPRESSAVG: 3722000 -1.20628 -33.9474 -44.7444 -36.8948 22.9219 50.7762 -49.0249 50.3421 -7.85096 TIMING: 3722000 CPU: 11761, 0.00316682/step Wall: 11761, 0.00316682/step, 1.12422 hours remaining, 236.164062 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 3985.0807 20505.4978 14452.6048 240.9961 -203279.8036 2531.8218 0.0000 0.0000 52032.2568 -109531.5455 299.0301 -161563.8024 -109163.0242 298.4960 -160.8092 -129.0788 764271.6740 4.6712 4.6215 PRESSURE: 3722200 -157.419 -90.4284 210.334 -90.4276 -98.2881 92.0277 210.333 92.0279 -174.082 GPRESSURE: 3722200 -104.179 -100.672 253.607 -93.4189 -126.106 78.7347 175.957 53.7127 -101.974 PRESSAVG: 3722200 51.7693 -81.9711 -33.7321 -81.9711 -43.1506 77.8698 -33.732 77.8699 -18.1148 GPRESSAVG: 3722200 53.4866 -83.0302 -35.5154 -77.2838 -44.9993 77.2498 -32.6307 77.8419 -17.3308 TIMING: 3722200 CPU: 11761.6, 0.00316383/step Wall: 11761.6, 0.00316383/step, 1.12298 hours remaining, 236.164062 MB of memory in use. ENERGY: 3722200 3945.6541 20457.6541 14411.7854 227.5823 -203085.3246 2403.6323 0.0000 0.0000 51811.6248 -109827.3915 297.7621 -161639.0163 -109474.2669 298.1342 -143.2632 -110.7527 762460.8017 -3.1653 -2.9478 PRESSURE: 3722400 66.5391 28.1782 47.3356 28.1776 65.8227 35.6063 47.3345 35.6048 -58.2854 GPRESSURE: 3722400 170.346 191.603 -17.3405 103.404 51.0198 -31.1344 70.6462 121.126 -66.8747 PRESSAVG: 3722400 64.2603 -19.2961 0.415071 -19.2961 -87.5233 27.6716 0.41506 27.6716 5.49511 GPRESSAVG: 3722400 63.9528 -15.6296 -1.26218 -22.9828 -87.4362 27.1717 1.12611 26.9403 5.42276 TIMING: 3722400 CPU: 11762.3, 0.00316966/step Wall: 11762.3, 0.00316966/step, 1.12488 hours remaining, 236.164062 MB of memory in use. ENERGY: 3722400 3952.2865 20305.5834 14502.7464 226.5010 -203665.5900 2837.4665 0.0000 0.0000 52192.9925 -109648.0137 299.9538 -161841.0062 -109288.2777 298.1502 24.6921 51.4971 762522.0072 -5.9226 -6.0202 PRESSURE: 3722600 216.399 26.0445 64.7131 26.0447 481.763 -47.7709 64.7129 -47.7718 -93.4011 GPRESSURE: 3722600 250.449 12.2149 158.676 13.4176 466.4 2.80919 14.5366 -64.7882 -20.3605 PRESSAVG: 3722600 -41.4182 -33.5905 14.2387 -33.5906 13.1366 47.8389 14.2387 47.8388 -15.7038 GPRESSAVG: 3722600 -42.407 -37.5613 15.9366 -30.9758 13.7959 48.682 11.1258 48.0234 -16.0085 TIMING: 3722600 CPU: 11762.9, 0.00315371/step Wall: 11762.9, 0.00315371/step, 1.11904 hours remaining, 236.164062 MB of memory in use. ENERGY: 3722600 4008.2752 20515.3226 14399.8302 238.2498 -203367.6720 2801.4118 0.0000 0.0000 51696.7576 -109707.8248 297.1020 -161404.5824 -109340.1549 298.5942 201.5869 232.1629 761269.7302 -14.6618 -14.8732 PRESSURE: 3722800 -75.8382 -110.573 26.1 -110.574 -294.481 -82.6406 26.1003 -82.6402 -176.292 GPRESSURE: 3722800 -68.7244 -90.8119 71.9386 -112.348 -210.718 -101.439 -5.50746 -69.9443 -194.279 PRESSAVG: 3722800 -25.8678 -54.9078 -50.0107 -54.9078 13.0659 -15.1608 -50.0108 -15.1609 -7.71518 GPRESSAVG: 3722800 -25.3828 -53.1391 -51.1472 -54.7549 13.2591 -14.2685 -47.1844 -15.6581 -8.61493 TIMING: 3722800 CPU: 11763.5, 0.00315645/step Wall: 11763.5, 0.00315645/step, 1.11984 hours remaining, 236.164062 MB of memory in use. ENERGY: 3722800 4056.5701 20422.0301 14377.6551 252.6431 -203693.2243 2691.4588 0.0000 0.0000 52000.3522 -109892.5149 298.8467 -161892.8671 -109538.0965 298.0274 -182.2038 -157.9071 761193.4605 -6.8390 -6.9129 PRESSURE: 3723000 -148.511 107.851 -355.617 107.851 -348.625 119.497 -355.618 119.496 -463.17 GPRESSURE: 3723000 -117.828 98.9463 -281.204 107.408 -288.746 129.129 -238.145 -7.14008 -464.351 PRESSAVG: 3723000 55.5511 -26.4992 -55.4365 -26.4992 -22.5927 -25.5526 -55.4366 -25.5526 4.15917 GPRESSAVG: 3723000 55.6714 -26.4006 -54.7119 -27.4578 -21.7138 -26.3457 -57.0297 -23.908 3.75094 TIMING: 3723000 CPU: 11764.2, 0.00314516/step Wall: 11764.2, 0.00314516/step, 1.11566 hours remaining, 236.164062 MB of memory in use. ENERGY: 3723000 4015.6814 20424.9923 14524.2744 244.3516 -203208.1623 2363.9592 0.0000 0.0000 51691.3259 -109943.5775 297.0708 -161634.9033 -109574.5997 298.1114 -320.1018 -290.3083 762007.1460 12.3725 12.5695 PRESSURE: 3723200 -277.491 -43.637 -13.7695 -43.638 -230.486 -118.331 -13.7691 -118.331 -18.8295 GPRESSURE: 3723200 -165.403 -89.6455 -63.8238 -13.0317 -227.491 -75.6209 -56.9592 -146.413 -50.5616 PRESSAVG: 3723200 19.7688 -37.7872 22.8522 -37.7872 -41.9609 11.2202 22.8522 11.2201 -6.02519 GPRESSAVG: 3723200 19.2775 -38.4659 21.5568 -36.7838 -42.1878 10.9901 21.6528 9.80229 -5.40184 TIMING: 3723200 CPU: 11764.8, 0.00316983/step Wall: 11764.8, 0.00316983/step, 1.12423 hours remaining, 236.164062 MB of memory in use. ENERGY: 3723200 3974.5938 20508.6536 14437.9518 249.4811 -203385.3895 2444.3765 0.0000 0.0000 52025.8999 -109744.4328 298.9936 -161770.3327 -109370.1009 298.3702 -175.6021 -147.8187 762477.7914 -9.4057 -9.4374 PRESSURE: 3723400 22.1284 -112.375 40.8076 -112.375 -117.878 -118.483 40.8083 -118.481 -49.9674 GPRESSURE: 3723400 68.008 -130.293 188.856 -139.369 -114.794 -10.6987 -130.357 -56.8271 3.40997 PRESSAVG: 3723400 26.7215 17.4787 -55.4908 17.4788 -59.1525 -11.083 -55.4908 -11.0831 33.462 GPRESSAVG: 3723400 28.0556 19.4047 -55.4432 17.6419 -59.4998 -10.6531 -52.9449 -12.1332 32.9483 TIMING: 3723400 CPU: 11765.4, 0.00317665/step Wall: 11765.4, 0.00317665/step, 1.12648 hours remaining, 236.164062 MB of memory in use. ENERGY: 3723400 3975.1918 20406.3174 14470.0549 232.8131 -203368.3729 2552.4111 0.0000 0.0000 51931.3112 -109800.2735 298.4500 -161731.5846 -109438.4517 298.1349 -48.5724 -14.4588 762340.0925 0.3437 0.5014 PRESSURE: 3723600 -87.4855 38.0844 292.428 38.0842 -82.3991 99.8266 292.428 99.8284 -30.4588 GPRESSURE: 3723600 -56.4686 49.8788 422.162 31.9064 -114.433 86.2747 242.186 -4.66853 44.248 PRESSAVG: 3723600 34.0162 -26.3924 -17.702 -26.3925 -22.462 24.6343 -17.7021 24.6343 -5.84026 GPRESSAVG: 3723600 32.485 -28.1985 -16.5616 -26.6703 -22.8425 23.4584 -19.1131 25.3513 -3.34691 TIMING: 3723600 CPU: 11766.1, 0.003148/step Wall: 11766.1, 0.003148/step, 1.11614 hours remaining, 236.164062 MB of memory in use. ENERGY: 3723600 4000.0216 20636.0097 14360.3095 254.1749 -203297.5265 2374.5715 0.0000 0.0000 52000.5247 -109671.9146 298.8477 -161672.4394 -109319.9610 298.4358 -66.7811 -42.2178 762904.0949 1.9046 2.0985 PRESSURE: 3723800 -377.706 100.033 -92.6644 100.033 -188.858 119.993 -92.6643 119.993 -153.705 GPRESSURE: 3723800 -350.74 201.131 -48.5997 39.3854 -183.941 38.2288 -20.6331 139.055 -97.7841 PRESSAVG: 3723800 -38.8638 -2.01134 -35.925 -2.01129 41.6278 16.2173 -35.9251 16.2173 -25.5365 GPRESSAVG: 3723800 -38.3416 -2.21022 -36.6338 -1.96823 41.7439 16.7358 -36.4363 16.8674 -26.262 TIMING: 3723800 CPU: 11766.7, 0.00317506/step Wall: 11766.7, 0.00317506/step, 1.12556 hours remaining, 236.164062 MB of memory in use. ENERGY: 3723800 3986.3165 20502.1875 14416.1810 253.3063 -203125.2514 2478.6656 0.0000 0.0000 52042.8816 -109445.7128 299.0912 -161488.5944 -109088.6812 299.2921 -240.0895 -210.8220 763005.1858 -7.5908 -7.6199 PRESSURE: 3724000 -54.884 259.709 -287.428 259.71 84.2742 -244.035 -287.428 -244.035 423.139 GPRESSURE: 3724000 24.9657 246.086 -362.82 290.86 146.169 -218.565 -300.518 -122.049 363.917 PRESSAVG: 3724000 -53.3769 7.40397 -36.781 7.40391 1.13377 16.3725 -36.7809 16.3725 6.61604 GPRESSAVG: 3724000 -52.3788 7.45019 -36.9418 8.03719 0.244025 15.1571 -35.1836 16.9312 6.12307 TIMING: 3724000 CPU: 11767.3, 0.00315026/step Wall: 11767.3, 0.00315026/step, 1.11659 hours remaining, 236.164062 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 4032.4510 20490.5900 14404.4725 249.1877 -203418.1029 2747.2499 0.0000 0.0000 51945.9449 -109548.2068 298.5341 -161494.1517 -109194.0323 299.0438 150.8430 178.3505 761670.6559 -15.2090 -15.3372 PRESSURE: 3724200 270.745 -215.431 -3.34001 -215.432 -48.3731 52.1612 -3.33989 52.1597 10.6097 GPRESSURE: 3724200 394.43 -91.913 -25.0632 -193.302 -75.1752 15.8238 -47.7963 136.118 1.74003 PRESSAVG: 3724200 -7.80156 -42.4008 -83.0352 -42.4007 31.7904 -6.07402 -83.0352 -6.07418 13.7897 GPRESSAVG: 3724200 -9.34136 -42.6462 -82.6687 -43.5947 33.2929 -4.25717 -83.7262 -6.80896 14.0646 TIMING: 3724200 CPU: 11768, 0.00316912/step Wall: 11768, 0.00316912/step, 1.1231 hours remaining, 236.164062 MB of memory in use. ENERGY: 3724200 4045.9208 20331.4519 14349.7620 251.1484 -203515.7686 2815.3171 0.0000 0.0000 52275.5415 -109446.6269 300.4283 -161722.1684 -109075.6397 298.8449 77.6606 106.9983 760987.9687 12.5929 12.6720 LDB: ============= START OF LOAD BALANCING ============== 11780.5 LDB: ============== END OF LOAD BALANCING =============== 11780.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11780.5 LDB: ============= START OF LOAD BALANCING ============== 11780.8 LDB: Largest compute 7030 load 0.032584 is 16.7% of average load 0.195601 LDB: Average compute 0.004386 is 2.2% of average load 0.195601 LDB: TIME 11780.8 LOAD: AVG 0.195601 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.551 MB LDB: TIME 11780.8 LOAD: AVG 0.195601 MAX 0.21581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: TIME 11780.8 LOAD: AVG 0.195601 MAX 0.21581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: ============== END OF LOAD BALANCING =============== 11780.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11780.8 PRESSURE: 3724400 -534.948 -26.7727 -72.5909 -26.7736 -190.791 288.951 -72.5905 288.951 -163.636 GPRESSURE: 3724400 -481.111 -34.8483 -93.6288 104.082 -142.165 304.06 45.4719 256.181 -178.426 PRESSAVG: 3724400 30.0684 -8.36436 -22.9982 -8.36432 -61.8407 57.2918 -22.9981 57.2917 13.1077 GPRESSAVG: 3724400 32.0942 -8.26128 -23.2353 -8.99905 -63.0856 56.7751 -25.5071 57.7996 12.391 TIMING: 3724400 CPU: 11768.6, 0.00323889/step Wall: 11768.6, 0.00323889/step, 1.14765 hours remaining, 234.609375 MB of memory in use. ENERGY: 3724400 4124.1612 20404.6181 14330.4757 237.0431 -202689.2598 2358.2728 0.0000 0.0000 52024.7955 -109209.8934 298.9872 -161234.6889 -108849.6565 299.5850 -296.4586 -267.2341 763259.9319 -6.2215 -6.2001 PRESSURE: 3724600 -31.4068 130.683 169.243 130.682 -263.823 -15.1353 169.242 -15.1367 -19.4178 GPRESSURE: 3724600 -26.8391 164.806 176.661 59.2394 -199.25 47.9038 102.101 -16.1821 17.6726 PRESSAVG: 3724600 27.0687 -61.4807 -29.1257 -61.4807 -79.8859 2.11951 -29.1257 2.11954 5.03127 GPRESSAVG: 3724600 25.9595 -60.1433 -29.1061 -63.0981 -79.1242 0.579787 -26.9543 3.52124 5.34805 TIMING: 3724600 CPU: 11769.2, 0.00315055/step Wall: 11769.2, 0.00315055/step, 1.11617 hours remaining, 234.609375 MB of memory in use. ENERGY: 3724600 4011.9788 20652.8412 14452.9428 253.9124 -203066.1381 2553.5132 0.0000 0.0000 52168.9113 -108972.0383 299.8155 -161140.9496 -108621.1290 299.5746 -104.8824 -69.4721 763527.4363 -15.9287 -15.9389 PRESSURE: 3724800 -195.322 -172.737 28.8789 -172.736 -179.45 -8.91877 28.8776 -8.9178 -61.33 GPRESSURE: 3724800 -132.229 -165.4 26.6175 17.9574 -142.761 -10.5019 89.9201 15.8859 -117.412 PRESSAVG: 3724800 54.6557 -5.94158 45.344 -5.94156 -48.3745 5.95547 45.344 5.9554 23.4316 GPRESSAVG: 3724800 54.7015 -6.95578 44.7456 -1.91707 -49.211 7.14378 45.9932 4.35023 24.4017 TIMING: 3724800 CPU: 11769.9, 0.00316846/step Wall: 11769.9, 0.00316846/step, 1.12234 hours remaining, 234.609375 MB of memory in use. ENERGY: 3724800 4050.9150 20729.9906 14435.9260 261.4270 -203237.5141 2689.6629 0.0000 0.0000 52067.6756 -109001.9170 299.2336 -161069.5926 -108645.4965 300.3295 -145.3675 -130.8010 762813.5027 9.9043 9.9641 PRESSURE: 3725000 -132.738 39.6962 -212.048 39.6961 -463.377 114.748 -212.049 114.748 -166.199 GPRESSURE: 3725000 -34.3933 35.401 -223.541 -8.04785 -483.57 120.439 -242.324 179.774 -139.735 PRESSAVG: 3725000 27.8776 -19.7087 16.7822 -19.7088 -22.681 49.8689 16.7822 49.8689 2.85833 GPRESSAVG: 3725000 27.3264 -19.0252 17.9348 -20.5701 -21.2369 50.2438 14.6738 49.2278 1.56562 TIMING: 3725000 CPU: 11770.5, 0.00316655/step Wall: 11770.5, 0.00316655/step, 1.12149 hours remaining, 234.878906 MB of memory in use. ENERGY: 3725000 3945.2944 20640.5715 14407.4082 217.0722 -202603.6477 2297.4857 0.0000 0.0000 52191.3783 -108904.4373 299.9446 -161095.8156 -108536.2073 300.3696 -254.1048 -219.2329 763654.1648 2.6850 2.5517 PRESSURE: 3725200 416.34 14.7335 116.094 14.7341 -128.291 32.5245 116.094 32.5239 -550.867 GPRESSURE: 3725200 437.104 -14.8334 26.7049 -152.311 -125.053 44.0078 79.7177 -109.508 -477.083 PRESSAVG: 3725200 64.4798 24.6311 -14.7852 24.6311 -46.5773 6.48689 -14.7852 6.48691 1.17866 GPRESSAVG: 3725200 64.6243 22.5384 -16.1813 22.6319 -47.4239 4.87411 -13.5215 6.84804 1.81599 TIMING: 3725200 CPU: 11771.1, 0.00314746/step Wall: 11771.1, 0.00314746/step, 1.11455 hours remaining, 234.878906 MB of memory in use. ENERGY: 3725200 3958.0701 20776.9333 14492.7513 237.4722 -203068.8667 2688.9530 0.0000 0.0000 51947.4891 -108967.1978 298.5429 -160914.6869 -108620.7022 300.1658 -87.6060 -55.0106 763853.0159 6.3604 6.3388 PRESSURE: 3725400 -209.712 -13.9809 45.5219 -13.9807 -271.757 49.7494 45.5225 49.7506 -70.6937 GPRESSURE: 3725400 -174.342 -95.2963 103.087 94.5805 -158.53 65.8313 26.2738 87.6557 -116.845 PRESSAVG: 3725400 56.5536 -27.792 -0.375223 -27.792 -51.9323 -32.7446 -0.375212 -32.7446 8.66144 GPRESSAVG: 3725400 56.8432 -27.9902 0.595797 -25.8178 -52.1213 -30.9144 -0.379316 -33.0203 8.59391 TIMING: 3725400 CPU: 11771.8, 0.00315726/step Wall: 11771.8, 0.00315726/step, 1.11785 hours remaining, 234.914062 MB of memory in use. ENERGY: 3725400 4019.0825 20557.3027 14490.5458 251.4325 -203056.5564 2574.8596 0.0000 0.0000 52141.6125 -109021.7208 299.6586 -161163.3333 -108658.7903 300.2016 -184.0541 -149.9056 763281.0772 4.4276 4.4386 PRESSURE: 3725600 -322.128 2.31464 -49.603 2.31403 -216.339 -111.535 -49.603 -111.535 -451.337 GPRESSURE: 3725600 -324.703 49.3433 -64.581 79.3 -127.197 -23.4748 -114.546 -129.893 -448.573 PRESSAVG: 3725600 26.7699 21.0882 -41.9774 21.0882 -9.65209 -8.22989 -41.9774 -8.22987 -15.128 GPRESSAVG: 3725600 25.3272 21.7266 -41.7925 20.1408 -8.60237 -7.34802 -40.7301 -8.50764 -15.3076 TIMING: 3725600 CPU: 11772.4, 0.00315447/step Wall: 11772.4, 0.00315447/step, 1.11668 hours remaining, 234.914062 MB of memory in use. ENERGY: 3725600 4074.2642 20566.1170 14448.3235 251.2854 -203053.1783 2609.5587 0.0000 0.0000 52214.5879 -108889.0417 300.0780 -161103.6295 -108513.6246 300.3144 -329.9345 -300.1577 764184.7443 0.6633 0.4724 PRESSURE: 3725800 -256.587 208.167 -5.16543 208.168 -183.047 -75.3883 -5.16529 -75.3877 11.0621 GPRESSURE: 3725800 -259.934 73.3446 -28.5375 16.6107 -55.1803 12.5792 37.599 -131.254 -47.2217 PRESSAVG: 3725800 -53.248 39.1096 -2.11606 39.1095 21.1577 -2.12338 -2.11608 -2.12331 -11.9022 GPRESSAVG: 3725800 -52.3062 41.0353 -2.00598 37.6585 20.649 -3.83802 -3.16847 -1.11125 -12.5228 TIMING: 3725800 CPU: 11773, 0.00316683/step Wall: 11773, 0.00316683/step, 1.12088 hours remaining, 234.914062 MB of memory in use. ENERGY: 3725800 4039.3975 20603.0697 14466.1565 244.5282 -203143.7054 2574.1546 0.0000 0.0000 52253.0490 -108963.3499 300.2990 -161216.3989 -108597.7279 300.5071 -142.8572 -120.7787 763143.5937 -14.6642 -14.7267 PRESSURE: 3726000 -208.457 125.038 -32.525 125.039 -96.7119 -288.96 -32.5258 -288.958 -0.369991 GPRESSURE: 3726000 -187.782 85.3761 -34.5985 84.8498 8.6642 -331.825 -60.3979 -86.7467 -46.3708 PRESSAVG: 3726000 -9.70557 11.0741 52.8239 11.0741 -28.9825 30.7048 52.8238 30.7048 -21.4824 GPRESSAVG: 3726000 -8.19967 10.6299 53.5307 12.7712 -30.4648 32.0084 50.8404 29.1957 -21.5668 TIMING: 3726000 CPU: 11773.7, 0.00316879/step Wall: 11773.7, 0.00316879/step, 1.1214 hours remaining, 234.914062 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: 3726000 3935.5150 20593.1046 14502.1423 275.9152 -203126.5872 2556.9579 0.0000 0.0000 52422.6066 -108840.3456 301.2734 -161262.9522 -108478.5427 300.4510 -101.8463 -75.1627 761240.5181 -20.0568 -20.0771 PRESSURE: 3726200 72.1327 -81.3765 -118.596 -81.3761 -157.358 190.402 -118.596 190.403 -320.603 GPRESSURE: 3726200 94.4612 -12.0084 -103.276 -23.8107 -100.799 151.304 -80.598 213.515 -304.78 PRESSAVG: 3726200 11.9915 -74.8749 5.08533 -74.8749 29.3569 16.3691 5.08536 16.3692 -36.7678 GPRESSAVG: 3726200 10.4016 -75.3857 2.53992 -74.4381 30.6016 15.0538 5.57203 18.2436 -36.7213 TIMING: 3726200 CPU: 11774.3, 0.00316967/step Wall: 11774.3, 0.00316967/step, 1.12154 hours remaining, 234.902344 MB of memory in use. ENERGY: 3726200 4153.8602 20616.9664 14434.6103 245.6282 -202914.3227 2434.6266 0.0000 0.0000 51947.2704 -109081.3605 298.5417 -161028.6310 -108715.4569 300.2997 -135.2764 -103.7060 762738.5784 1.5268 1.4273 PRESSURE: 3726400 8.49714 222.263 -20.5914 222.263 29.6061 -115.139 -20.5925 -115.139 101.16 GPRESSURE: 3726400 28.1458 138.745 -14.5209 13.4932 99.0347 -57.9803 -32.0638 -89.7681 115.597 PRESSAVG: 3726400 38.8518 -23.8802 47.1101 -23.8802 -30.1587 46.919 47.1102 46.919 21.7123 GPRESSAVG: 3726400 38.1118 -24.7714 48.0528 -25.3153 -28.7477 47.4348 47.9351 46.7615 20.9959 TIMING: 3726400 CPU: 11774.9, 0.00315368/step Wall: 11774.9, 0.00315368/step, 1.1157 hours remaining, 234.914062 MB of memory in use. ENERGY: 3726400 3982.6729 20714.4193 14465.1309 261.3117 -203410.6390 2635.5780 0.0000 0.0000 52070.2293 -109281.2969 299.2483 -161351.5262 -108906.8820 299.4624 46.4210 80.9260 760574.7808 10.1351 10.1200 PRESSURE: 3726600 340.448 252.972 -228.513 252.972 -97.847 455.292 -228.513 455.291 -219.575 GPRESSURE: 3726600 283.396 275.654 -150.891 208.151 41.4734 363.361 -156.597 423.585 -205.451 PRESSAVG: 3726600 13.0484 -48.4657 -48.1243 -48.4657 -9.40162 -22.5449 -48.1244 -22.5449 6.36814 GPRESSAVG: 3726600 13.7559 -47.5419 -48.7791 -47.3365 -9.38948 -24.2642 -47.745 -23.196 5.2811 TIMING: 3726600 CPU: 11775.6, 0.00315479/step Wall: 11775.6, 0.00315479/step, 1.11592 hours remaining, 234.914062 MB of memory in use. ENERGY: 3726600 3953.8031 20579.2023 14392.2359 256.6878 -203082.0347 2484.5304 0.0000 0.0000 52223.5183 -109192.0570 300.1293 -161415.5752 -108818.3984 298.9224 7.6753 39.8061 760782.0727 3.3383 3.2158 PRESSURE: 3726800 -181.337 -111.468 117.963 -111.468 24.672 -22.4781 117.962 -22.4791 365.28 GPRESSURE: 3726800 -29.3365 -52.7183 27.358 -143.611 52.3128 -141.055 131.957 44.9434 276.742 PRESSAVG: 3726800 6.80526 28.6367 -48.3417 28.6367 -47.9931 21.4565 -48.3418 21.4564 6.39241 GPRESSAVG: 3726800 7.09486 30.6983 -48.5983 29.1355 -48.6194 22.5881 -48.3601 21.3295 6.62718 TIMING: 3726800 CPU: 11776.2, 0.00315649/step Wall: 11776.2, 0.00315649/step, 1.11634 hours remaining, 234.914062 MB of memory in use. ENERGY: 3726800 3981.1292 20730.9073 14480.3029 246.3919 -203498.9014 2761.0450 0.0000 0.0000 52347.8701 -108951.2550 300.8439 -161299.1251 -108583.1053 300.0412 69.5385 99.9061 760249.6643 -11.5985 -11.6325 PRESSURE: 3727000 137.389 -101.829 -212.745 -101.83 -100.378 167.048 -212.745 167.047 233.913 GPRESSURE: 3727000 144.99 -112.314 -177.16 -2.69871 -90.5572 143.712 -182.083 152.849 293.836 PRESSAVG: 3727000 42.0541 -54.6122 -28.7565 -54.6123 -15.3927 33.2066 -28.7565 33.2066 12.4006 GPRESSAVG: 3727000 41.2592 -56.6253 -29.398 -54.9099 -15.6348 33.1439 -27.534 34.671 13.3817 TIMING: 3727000 CPU: 11776.8, 0.00315314/step Wall: 11776.8, 0.00315314/step, 1.11499 hours remaining, 234.914062 MB of memory in use. ENERGY: 3727000 4050.6191 20658.7582 14464.0842 253.5303 -203525.3105 3005.6096 0.0000 0.0000 52062.5210 -109030.1882 299.2040 -161092.7092 -108660.6017 300.7690 90.3078 116.0893 763389.2892 13.0206 13.0021 PRESSURE: 3727200 91.28 10.9518 -46.9275 10.9515 -118.54 -209.354 -46.9275 -209.353 -359.438 GPRESSURE: 3727200 147.835 -23.5663 32.7388 -98.6446 -70.0038 -166.215 -103.433 -76.3995 -351.996 PRESSAVG: 3727200 66.5379 -31.5535 15.7042 -31.5535 -37.1496 -37.2182 15.7042 -37.2182 -12.0398 GPRESSAVG: 3727200 66.5007 -33.2058 17.4938 -30.4568 -37.917 -36.4086 13.1292 -37.5961 -11.1411 TIMING: 3727200 CPU: 11777.4, 0.00314288/step Wall: 11777.4, 0.00314288/step, 1.11118 hours remaining, 234.914062 MB of memory in use. ENERGY: 3727200 3958.7534 20645.4005 14443.3811 255.7534 -203387.8848 2582.5694 0.0000 0.0000 52396.2717 -109105.7554 301.1221 -161502.0271 -108742.5442 300.3445 -128.8995 -91.3882 761372.6374 5.7828 5.8142 PRESSURE: 3727400 -69.0822 -14.3062 109.72 -14.3064 -158.128 -38.9427 109.721 -38.9431 75.6584 GPRESSURE: 3727400 -157.539 -76.2017 83.2038 90.98 -92.8437 -21.387 41.6493 96.5956 179.414 PRESSAVG: 3727400 14.9736 -19.1858 -27.1587 -19.1858 14.2136 6.66555 -27.1587 6.66553 17.4692 GPRESSAVG: 3727400 14.6764 -16.9412 -28.6519 -20.7376 14.6478 4.89278 -24.0558 6.42113 16.9349 TIMING: 3727400 CPU: 11778.1, 0.00314513/step Wall: 11778.1, 0.00314513/step, 1.1118 hours remaining, 234.914062 MB of memory in use. ENERGY: 3727400 4025.3041 20458.0124 14459.7941 233.2457 -203303.2100 2573.7943 0.0000 0.0000 52072.3142 -109480.7452 299.2603 -161553.0595 -109113.8507 299.4340 -50.5173 -23.6563 760999.6066 15.5521 15.4197 PRESSURE: 3727600 86.8365 -108.677 23.3988 -108.678 86.4641 123.082 23.399 123.083 128.868 GPRESSURE: 3727600 211.294 -90.8503 55.8921 -167.42 68.299 62.7863 -74.2057 41.3131 99.0459 PRESSAVG: 3727600 -13.3458 0.214514 -13.7607 0.214503 19.4603 29.0024 -13.7606 29.0024 23.6941 GPRESSAVG: 3727600 -12.5657 -0.444574 -11.7924 1.94563 19.1944 29.6193 -17.5076 30.2369 23.3475 TIMING: 3727600 CPU: 11778.7, 0.00313301/step Wall: 11778.7, 0.00313301/step, 1.10735 hours remaining, 234.914062 MB of memory in use. ENERGY: 3727600 3918.0152 20762.4481 14438.7458 225.2666 -203316.9824 2637.8833 0.0000 0.0000 51921.3861 -109413.2374 298.3929 -161334.6235 -109049.6516 299.1314 100.7229 126.2130 760001.0271 9.9362 9.9921 PRESSURE: 3727800 23.7146 -62.741 9.5606 -62.7411 54.641 4.74363 9.56048 4.74449 98.2342 GPRESSURE: 3727800 72.2262 -183.397 -89.2844 -182.845 135.534 -8.85562 99.2054 -7.38379 48.156 PRESSAVG: 3727800 -2.78546 -21.0307 16.504 -21.0308 2.33131 53.5481 16.5041 53.548 -4.39255 GPRESSAVG: 3727800 -3.01972 -20.6272 14.6279 -22.9276 2.24639 55.03 18.8417 51.9691 -3.91728 TIMING: 3727800 CPU: 11779.3, 0.00314108/step Wall: 11779.3, 0.00314108/step, 1.11002 hours remaining, 234.914062 MB of memory in use. ENERGY: 3727800 4018.0297 20508.4230 14459.6079 243.1740 -203305.1911 2746.6149 0.0000 0.0000 52045.2156 -109284.1261 299.1046 -161329.3417 -108925.1244 299.1489 58.8633 85.3054 760304.8288 -1.6156 -1.5635 PRESSURE: 3728000 284.48 116.313 -71.0416 116.314 -27.313 107.345 -71.0419 107.344 419.41 GPRESSURE: 3728000 279.431 129.336 -89.7976 94.7754 0.177755 142.558 -56.5614 -3.53345 484.418 PRESSAVG: 3728000 3.79558 -21.9435 -34.0168 -21.9435 -0.659632 28.3103 -34.0168 28.3102 7.75386 GPRESSAVG: 3728000 4.07157 -21.2434 -35.0193 -21.6175 -0.879238 27.9592 -33.9568 29.1576 7.48322 TIMING: 3728000 CPU: 11780, 0.00315609/step Wall: 11780, 0.00315609/step, 1.11515 hours remaining, 234.914062 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: 3728000 3935.0490 20723.2756 14431.7127 250.1945 -203464.7256 2813.0288 0.0000 0.0000 52026.0904 -109285.3744 298.9947 -161311.4648 -108929.2980 299.2320 225.5256 254.6755 762259.1579 3.6299 3.5585 PRESSURE: 3728200 136.595 32.9473 134.415 32.9473 66.0788 112.591 134.415 112.591 393.324 GPRESSURE: 3728200 197.459 44.285 155.805 151.577 57.1931 183.225 169.145 -12.8708 414.603 PRESSAVG: 3728200 34.8181 -27.4483 30.2074 -27.4483 -22.1855 39.558 30.2075 39.558 -2.69509 GPRESSAVG: 3728200 35.0948 -29.3517 32.5571 -25.9148 -21.0234 39.0221 30.396 40.2826 -3.85941 TIMING: 3728200 CPU: 11780.6, 0.00314028/step Wall: 11780.6, 0.00314028/step, 1.10939 hours remaining, 234.914062 MB of memory in use. ENERGY: 3728200 4000.7945 20582.4250 14454.8503 249.9328 -203165.8889 2530.8859 0.0000 0.0000 52204.3562 -109142.6440 300.0192 -161347.0003 -108777.3706 299.4866 198.6662 223.0848 762470.2155 3.3125 3.4040 LDB: ============= START OF LOAD BALANCING ============== 11793.1 LDB: ============== END OF LOAD BALANCING =============== 11793.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11793.1 LDB: ============= START OF LOAD BALANCING ============== 11793.4 LDB: Largest compute 7075 load 0.032099 is 16.4% of average load 0.195614 LDB: Average compute 0.004385 is 2.2% of average load 0.195614 LDB: TIME 11793.4 LOAD: AVG 0.195614 MAX 0.218053 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.672 MB LDB: TIME 11793.4 LOAD: AVG 0.195614 MAX 0.218053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.879 MB LDB: TIME 11793.4 LOAD: AVG 0.195614 MAX 0.218053 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.879 MB LDB: ============== END OF LOAD BALANCING =============== 11793.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11793.4 PRESSURE: 3728400 -418.44 -17.9639 98.8783 -17.9646 -75.2173 -26.1205 98.8779 -26.1218 -214.512 GPRESSURE: 3728400 -341.325 20.1614 132.208 -184.318 -4.46066 -96.0647 101.701 24.3555 -263.659 PRESSAVG: 3728400 -8.26302 -11.873 -24.7904 -11.8731 -9.11544 30.0451 -24.7903 30.0452 -10.6945 GPRESSAVG: 3728400 -8.59077 -9.3055 -24.8594 -13.6418 -9.40245 29.3121 -23.3678 30.6254 -9.90011 TIMING: 3728400 CPU: 11781.2, 0.00320415/step Wall: 11781.2, 0.00320415/step, 1.13178 hours remaining, 235.652344 MB of memory in use. ENERGY: 3728400 3976.4908 20549.1261 14484.9092 246.2763 -203151.2810 2453.5339 0.0000 0.0000 52269.1364 -109171.8083 300.3914 -161440.9447 -108806.9591 299.3729 -236.0565 -203.1480 761878.2341 -9.3577 -9.2978 PRESSURE: 3728600 -102.845 11.8761 84.3965 11.8764 -44.613 -71.8548 84.3964 -71.8548 103.428 GPRESSURE: 3728600 -27.9949 74.6176 0.0651298 -34.1775 -63.2692 -19.7876 122.176 58.4299 145.464 PRESSAVG: 3728600 19.0118 33.3965 -28.1453 33.3965 -27.5972 33.3563 -28.1453 33.3563 0.983073 GPRESSAVG: 3728600 18.5441 32.0298 -28.8258 34.809 -28.6944 33.5564 -29.3449 33.5757 2.58064 TIMING: 3728600 CPU: 11781.9, 0.00315036/step Wall: 11781.9, 0.00315036/step, 1.1126 hours remaining, 235.652344 MB of memory in use. ENERGY: 3728600 3961.8422 20687.5651 14416.8384 243.0726 -203401.3599 2651.0179 0.0000 0.0000 52030.0524 -109410.9712 299.0174 -161441.0237 -109042.5097 299.3515 -14.6765 18.0665 761713.2281 -2.5341 -2.5232 PRESSURE: 3728800 56.6901 -257.454 -146.637 -257.453 392.943 92.9663 -146.637 92.9662 334.782 GPRESSURE: 3728800 122.636 -137.671 -153.593 -236.78 316.802 168.394 -156.026 99.6062 441.408 PRESSAVG: 3728800 20.0968 -5.13608 -24.1298 -5.1361 2.02973 43.298 -24.1298 43.2981 -2.46928 GPRESSAVG: 3728800 20.3684 -3.18806 -23.7156 -6.8375 2.21152 44.466 -24.5614 41.1308 -3.10624 TIMING: 3728800 CPU: 11782.5, 0.00315091/step Wall: 11782.5, 0.0031509/step, 1.11262 hours remaining, 235.652344 MB of memory in use. ENERGY: 3728800 3865.7213 20604.0767 14426.7188 254.3828 -203558.1332 2799.6470 0.0000 0.0000 52187.2878 -109420.2988 299.9211 -161607.5865 -109057.1793 299.8058 261.4715 293.6153 762650.2696 6.5524 6.4912 PRESSURE: 3729000 2.94956 193.537 69.1746 193.537 -397.702 44.7041 69.1744 44.7037 39.026 GPRESSURE: 3729000 -25.0437 160.778 66.2101 238.629 -290.219 -40.1689 158.04 107.026 50.4516 PRESSAVG: 3729000 18.9216 -12.378 -11.1434 -12.3779 0.768055 8.11264 -11.1434 8.11259 37.2458 GPRESSAVG: 3729000 17.8895 -13.2347 -10.9712 -12.0406 1.07976 7.16693 -10.6886 10.148 37.7961 TIMING: 3729000 CPU: 11783.1, 0.00317869/step Wall: 11783.1, 0.0031787/step, 1.12226 hours remaining, 235.718750 MB of memory in use. ENERGY: 3729000 3957.4449 20353.8116 14474.0421 256.2886 -203267.0605 2938.3057 0.0000 0.0000 51927.0745 -109360.0932 298.4256 -161287.1677 -109005.2727 299.4911 -118.5754 -88.2705 762811.7810 18.9785 18.9218 PRESSURE: 3729200 -159.385 -49.9541 -2.65641 -49.9537 -175.136 -85.3363 -2.65576 -85.3369 -558.54 GPRESSURE: 3729200 -47.7096 -47.9063 -13.7534 22.9743 -327.751 -158.154 -12.1546 -96.7104 -440.582 PRESSAVG: 3729200 9.74479 -82.1809 -11.2039 -82.1809 -13.6107 23.6509 -11.2038 23.6509 8.19227 GPRESSAVG: 3729200 10.6825 -83.2127 -12.4656 -80.1185 -13.8941 24.9147 -11.7263 22.0623 6.9786 TIMING: 3729200 CPU: 11783.8, 0.00316114/step Wall: 11783.8, 0.00316114/step, 1.11588 hours remaining, 235.718750 MB of memory in use. ENERGY: 3729200 3951.3450 20521.1145 14461.7284 263.7991 -202898.1996 2330.2369 0.0000 0.0000 51996.0195 -109373.9562 298.8218 -161369.9757 -109014.6400 298.9873 -297.6870 -272.0140 763736.2954 1.4421 1.2557 PRESSURE: 3729400 -2.85756 -88.6679 -171.528 -88.6671 -145.784 154.996 -171.528 154.997 -272.357 GPRESSURE: 3729400 36.0633 -39.9029 -103.061 -19.713 -97.9997 83.7472 -101.64 95.8645 -281.175 PRESSAVG: 3729400 0.700676 -20.1624 28.122 -20.1624 13.7942 6.37096 28.122 6.37102 -9.21036 GPRESSAVG: 3729400 0.292809 -19.5685 28.1766 -21.1886 14.0506 4.85934 28.8134 4.36971 -8.49624 TIMING: 3729400 CPU: 11784.4, 0.00315881/step Wall: 11784.4, 0.00315881/step, 1.11489 hours remaining, 235.707031 MB of memory in use. ENERGY: 3729400 3969.8762 20516.6404 14476.8055 239.8205 -203220.1137 2460.1416 0.0000 0.0000 52302.7329 -109254.0966 300.5845 -161556.8295 -108880.6596 299.6049 -140.3327 -114.3703 761158.8623 1.7615 1.9491 PRESSURE: 3729600 247.614 144.267 47.3323 144.267 -106.472 -109.551 47.3316 -109.55 246.828 GPRESSURE: 3729600 196.763 174.715 164.588 79.8175 -1.10136 -110.995 -88.7264 -83.9574 276.5 PRESSAVG: 3729600 17.9402 -75.3138 0.365456 -75.3138 9.8093 -40.245 0.365438 -40.2449 24.3595 GPRESSAVG: 3729600 17.1638 -76.7841 1.9317 -74.9269 10.2754 -40.0988 -0.230825 -38.2063 24.9548 TIMING: 3729600 CPU: 11785, 0.00317945/step Wall: 11785, 0.00317945/step, 1.12199 hours remaining, 235.921875 MB of memory in use. ENERGY: 3729600 3897.1615 20421.6303 14523.4112 227.9302 -203385.6725 2601.0281 0.0000 0.0000 52268.9871 -109445.5241 300.3906 -161714.5112 -109073.7666 299.1360 129.3233 157.3873 760623.3107 17.3697 17.4647 PRESSURE: 3729800 318.857 -62.7353 -201.752 -62.7358 31.7148 199.285 -201.753 199.284 -51.0198 GPRESSURE: 3729800 323.776 -81.4915 -205.395 -38.8114 65.5934 135.811 -116.738 313.375 -10.7017 PRESSAVG: 3729800 17.1737 -18.5855 10.816 -18.5855 -19.7518 -13.3625 10.816 -13.3624 -0.704228 GPRESSAVG: 3729800 16.8558 -17.5229 9.26232 -17.7845 -19.1103 -14.7769 12.0879 -12.1127 -1.37012 TIMING: 3729800 CPU: 11785.7, 0.00316979/step Wall: 11785.7, 0.00316979/step, 1.11841 hours remaining, 235.992188 MB of memory in use. ENERGY: 3729800 3965.2239 20603.5760 14498.0312 240.3802 -203389.6513 2683.2816 0.0000 0.0000 51705.5667 -109693.5917 297.1526 -161399.1584 -109347.7033 298.6945 99.8508 126.2227 761132.4893 -1.0941 -1.2082 PRESSURE: 3730000 -138.232 -87.094 46.3752 -87.0941 188.4 -22.9697 46.3752 -22.9691 -9.15858 GPRESSURE: 3730000 20.914 -34.3921 159.852 -110.93 118.574 -34.4703 48.8116 -157.187 -6.17194 PRESSAVG: 3730000 -5.18458 -41.168 19.5127 -41.168 8.16497 34.2509 19.5127 34.2509 10.6042 GPRESSAVG: 3730000 -1.907 -37.7746 19.6217 -43.552 5.50478 37.0148 17.4121 33.1377 9.69961 TIMING: 3730000 CPU: 11786.3, 0.00315987/step Wall: 11786.3, 0.00315987/step, 1.11473 hours remaining, 235.992188 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: 3730000 3976.1181 20413.2189 14431.3267 242.4564 -203277.9462 2575.2001 0.0000 0.0000 51790.2618 -109849.3642 297.6393 -161639.6260 -109485.3645 298.0978 13.6698 44.4386 761747.6857 4.5282 4.4325 PRESSURE: 3730200 -31.0711 -128.801 21.8529 -128.801 -79.8222 -138.68 21.8532 -138.679 343.31 GPRESSURE: 3730200 -9.85189 -91.3703 88.0572 -73.8798 -16.4394 -121.74 -107.951 -109.976 355.099 PRESSAVG: 3730200 -4.47941 -34.628 -19.0348 -34.6281 12.4366 53.5274 -19.0348 53.5274 -10.7646 GPRESSAVG: 3730200 -5.61608 -40.3004 -19.0779 -31.9673 13.5411 52.3552 -19.0887 53.1429 -11.004 TIMING: 3730200 CPU: 11786.9, 0.00314783/step Wall: 11786.9, 0.00314783/step, 1.11031 hours remaining, 235.992188 MB of memory in use. ENERGY: 3730200 3936.9679 20601.6882 14395.3712 249.4890 -203837.7000 2976.3522 0.0000 0.0000 51809.2073 -109868.6241 297.7482 -161677.8314 -109516.1981 297.6972 77.4724 109.6026 760937.3426 -0.9358 -1.0263 PRESSURE: 3730400 -238.985 166.134 40.8027 166.133 -347.191 -56.3064 40.8026 -56.3063 204.219 GPRESSURE: 3730400 -232.082 97.2566 49.0069 139.641 -299.102 -42.5097 101.034 -116.465 230.184 PRESSAVG: 3730400 17.1323 3.27582 -63.4014 3.27578 -36.1121 63.664 -63.4013 63.664 7.73006 GPRESSAVG: 3730400 16.1623 6.76502 -62.0714 4.05573 -36.1869 63.0486 -64.1501 63.6117 8.37539 TIMING: 3730400 CPU: 11787.6, 0.00315119/step Wall: 11787.6, 0.00315119/step, 1.11132 hours remaining, 235.992188 MB of memory in use. ENERGY: 3730400 3974.0399 20461.2642 14389.8594 241.5832 -203221.5694 2442.2596 0.0000 0.0000 51770.3630 -109942.2001 297.5250 -161712.5631 -109583.2527 297.6089 -127.3189 -100.3331 762189.2034 -3.7499 -3.8830 PRESSURE: 3730600 161.138 22.5158 -110.597 22.5161 106.287 46.2797 -110.597 46.281 -389.585 GPRESSURE: 3730600 105.671 8.3967 7.21613 -18.0002 186.094 81.5209 -76.594 -49.7778 -302.732 PRESSAVG: 3730600 34.5555 -2.51821 -7.56991 -2.51823 -53.6558 -9.64002 -7.5699 -9.64002 14.4512 GPRESSAVG: 3730600 34.5544 -3.41566 -7.47153 -4.74567 -52.6753 -9.59906 -5.14164 -9.90376 13.8272 TIMING: 3730600 CPU: 11788.2, 0.00315008/step Wall: 11788.2, 0.00315007/step, 1.11075 hours remaining, 235.992188 MB of memory in use. ENERGY: 3730600 3956.8012 20531.9792 14383.8316 235.8716 -203533.8793 2691.5318 0.0000 0.0000 51982.8740 -109750.9899 298.7463 -161733.8640 -109392.2468 297.5096 -40.7198 -3.6558 762666.2209 -1.5497 -1.4313 PRESSURE: 3730800 -153.189 -71.0481 141.178 -71.0471 169.367 -134.115 141.178 -134.116 81.6154 GPRESSURE: 3730800 -87.6115 63.9203 62.9095 -107.137 180.3 -90.9464 120.566 -53.8842 87.3122 PRESSAVG: 3730800 28.6178 -71.0454 39.6438 -71.0454 -16.3377 7.82842 39.6438 7.82842 -15.8818 GPRESSAVG: 3730800 29.6752 -69.3288 38.2649 -70.8874 -17.3345 7.01649 38.7319 10.2308 -15.5231 TIMING: 3730800 CPU: 11788.8, 0.00314478/step Wall: 11788.8, 0.00314478/step, 1.10871 hours remaining, 235.992188 MB of memory in use. ENERGY: 3730800 3969.2226 20366.4570 14405.1245 260.4946 -203902.0328 2995.1199 0.0000 0.0000 52062.3983 -109843.2159 299.2033 -161905.6142 -109478.8753 297.8537 32.5979 60.0002 761647.2292 -1.2005 -1.0608 PRESSURE: 3731000 -133.433 3.82751 235.603 3.82819 -127.022 -19.7696 235.602 -19.7705 -641.719 GPRESSURE: 3731000 -82.3016 -14.5456 239.272 -8.04612 -165.552 -3.91361 187.238 -103.765 -570.731 PRESSAVG: 3731000 -1.77616 -3.58484 7.16294 -3.58483 25.9604 32.4819 7.16291 32.4818 11.5737 GPRESSAVG: 3731000 -2.81346 -4.58922 9.69738 -3.21484 25.7351 33.9575 3.65658 31.1666 12.9107 TIMING: 3731000 CPU: 11789.4, 0.0031538/step Wall: 11789.4, 0.0031538/step, 1.11171 hours remaining, 235.992188 MB of memory in use. ENERGY: 3731000 4112.2449 20544.0004 14487.2037 224.8895 -203358.7315 2219.9899 0.0000 0.0000 51969.9779 -109800.4252 298.6722 -161770.4031 -109432.3038 298.2806 -300.7246 -272.8616 762398.0799 11.9193 11.9441 PRESSURE: 3731200 166.537 -43.1708 164.817 -43.1715 89.4852 -132.046 164.818 -132.046 286.106 GPRESSURE: 3731200 295.551 -143.542 58.4644 65.7915 164.854 -121.532 43.1082 -34.9708 178.23 PRESSAVG: 3731200 -0.320114 24.5457 34.0861 24.5456 -25.341 -14.5764 34.086 -14.5764 -2.76535 GPRESSAVG: 3731200 0.336218 23.7837 31.6685 26.3517 -24.6155 -13.7661 37.6847 -13.3347 -4.28999 TIMING: 3731200 CPU: 11790.1, 0.0031664/step Wall: 11790.1, 0.0031664/step, 1.11598 hours remaining, 235.992188 MB of memory in use. ENERGY: 3731200 4056.0706 20552.5771 14475.1770 237.6146 -203902.3142 2961.9446 0.0000 0.0000 51941.0340 -109677.8963 298.5058 -161618.9303 -109322.3267 298.3375 180.7095 212.8785 761320.4759 -9.4755 -9.5231 PRESSURE: 3731400 -173.192 -23.5064 -78.0525 -23.5064 2.35441 -117.546 -78.0528 -117.546 -263.729 GPRESSURE: 3731400 -149.959 -33.102 71.9458 107.009 30.8502 -90.1861 -157.116 -132.563 -242.299 PRESSAVG: 3731400 11.3784 -11.1393 15.9358 -11.1393 16.041 47.2717 15.9358 47.2716 11.4666 GPRESSAVG: 3731400 11.7954 -10.8217 16.3549 -12.361 15.2934 47.2115 14.4187 45.5104 11.4276 TIMING: 3731400 CPU: 11790.7, 0.00315734/step Wall: 11790.7, 0.00315734/step, 1.11261 hours remaining, 235.992188 MB of memory in use. ENERGY: 3731400 4068.0468 20427.2946 14565.6953 257.6397 -203724.8292 2637.2794 0.0000 0.0000 52094.4245 -109674.4490 299.3874 -161768.8735 -109315.1500 298.8873 -144.8555 -120.4692 761550.9992 12.9620 12.8388 PRESSURE: 3731600 89.6595 -61.1693 -43.7175 -61.1689 170.52 0.840181 -43.7175 0.840842 183.273 GPRESSURE: 3731600 219.57 -5.76083 23.6083 -70.2263 134.537 59.8521 -47.3137 9.71353 189.402 PRESSAVG: 3731600 25.3213 27.0025 -26.4347 27.0024 9.76087 26.7762 -26.4348 26.7763 24.7535 GPRESSAVG: 3731600 25.749 28.3374 -26.4766 25.993 11.0882 25.934 -27.6287 28.237 23.7295 TIMING: 3731600 CPU: 11791.3, 0.00313149/step Wall: 11791.3, 0.00313149/step, 1.10333 hours remaining, 235.980469 MB of memory in use. ENERGY: 3731600 3980.4151 20481.2887 14494.8109 243.5526 -203740.1869 2778.7367 0.0000 0.0000 51975.9077 -109785.4751 298.7063 -161761.3828 -109412.7102 298.4200 147.8175 181.1697 759294.9374 19.9452 20.1889 PRESSURE: 3731800 243.834 30.2841 -159.59 30.2829 43.9154 -99.1494 -159.59 -99.1513 160.818 GPRESSURE: 3731800 316.365 -60.6791 -56.6831 -38.786 71.3683 -72.1909 -229.417 -87.1128 137.676 PRESSAVG: 3731800 60.0124 -34.0204 4.30344 -34.0204 -25.9112 56.4535 4.30337 56.4535 -9.84812 GPRESSAVG: 3731800 58.2838 -35.9074 5.24832 -31.7158 -25.4513 54.9181 4.27179 54.5368 -9.15044 TIMING: 3731800 CPU: 11792, 0.00314034/step Wall: 11792, 0.00314034/step, 1.10627 hours remaining, 235.980469 MB of memory in use. ENERGY: 3731800 3941.2432 20551.8777 14448.2592 258.7395 -203383.9452 2579.6471 0.0000 0.0000 51686.3362 -109917.8424 297.0421 -161604.1785 -109557.2084 298.2567 149.5225 175.1364 758602.1226 8.0844 7.8940 PRESSURE: 3732000 -10.503 -122.447 87.3575 -122.446 -39.3399 -3.21528 87.3579 -3.21397 -179.597 GPRESSURE: 3732000 43.7905 -0.138005 113.624 -45.9843 44.4322 -110.881 -50.4029 -65.5935 -223.773 PRESSAVG: 3732000 -3.72259 2.19811 21.5438 2.19811 22.084 -32.4101 21.5437 -32.4102 22.2315 GPRESSAVG: 3732000 -2.64845 4.12812 21.6583 1.46657 21.2185 -30.3881 21.7402 -32.6674 21.1863 TIMING: 3732000 CPU: 11792.6, 0.00315006/step Wall: 11792.6, 0.00315006/step, 1.10952 hours remaining, 235.980469 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: 3732000 4062.7280 20468.4783 14443.4014 256.1008 -203611.5404 2699.5580 0.0000 0.0000 52067.1799 -109614.0941 299.2308 -161681.2740 -109261.1425 298.4963 -76.4798 -45.1836 762120.0877 13.5310 13.2521 PRESSURE: 3732200 338.931 165.381 -116.258 165.381 -301.292 141.078 -116.258 141.079 288.278 GPRESSURE: 3732200 288.154 184.109 -120.998 105.722 -224.427 103.359 -31.3403 81.6092 338.047 PRESSAVG: 3732200 55.1667 -22.0963 -3.44627 -22.0963 -54.5943 -19.5778 -3.44626 -19.5778 -3.14624 GPRESSAVG: 3732200 53.9846 -23.6378 -4.04774 -21.6384 -55.1346 -20.3269 -1.5782 -20.3175 -1.67035 TIMING: 3732200 CPU: 11793.2, 0.00316475/step Wall: 11793.2, 0.00316475/step, 1.11452 hours remaining, 235.980469 MB of memory in use. ENERGY: 3732200 4045.6673 20361.7145 14461.2794 241.1127 -203858.8206 3047.3661 0.0000 0.0000 51999.0118 -109702.6688 298.8390 -161701.6806 -109343.1289 298.7880 108.6392 133.9248 760851.8981 -0.8579 -0.9401 LDB: ============= START OF LOAD BALANCING ============== 11805.8 LDB: ============== END OF LOAD BALANCING =============== 11805.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11805.8 LDB: ============= START OF LOAD BALANCING ============== 11806.1 LDB: Largest compute 7075 load 0.033331 is 17.0% of average load 0.195586 LDB: Average compute 0.004383 is 2.2% of average load 0.195586 LDB: TIME 11806.1 LOAD: AVG 0.195586 MAX 0.213551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.379 MB LDB: TIME 11806.1 LOAD: AVG 0.195586 MAX 0.213551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.379 MB LDB: TIME 11806.1 LOAD: AVG 0.195586 MAX 0.213551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.379 MB LDB: ============== END OF LOAD BALANCING =============== 11806.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11806.1 PRESSURE: 3732400 -229.983 -34.886 -26.8653 -34.886 203.496 -83.6561 -26.8656 -83.6558 -234.282 GPRESSURE: 3732400 -109.451 86.6764 -89.0621 -167.612 244.79 -84.4789 -27.6406 59.7264 -322.744 PRESSAVG: 3732400 20.7897 -11.5932 -47.4614 -11.5932 -50.8062 -25.409 -47.4614 -25.409 3.20315 GPRESSAVG: 3732400 21.156 -13.0682 -46.9 -11.162 -50.7738 -25.0483 -50.1807 -21.2752 2.94632 TIMING: 3732400 CPU: 11793.9, 0.00322107/step Wall: 11793.9, 0.00322107/step, 1.13418 hours remaining, 237.187500 MB of memory in use. ENERGY: 3732400 3986.5972 20555.7831 14386.0339 246.0604 -203538.8584 2585.1095 0.0000 0.0000 51792.8328 -109986.4415 297.6541 -161779.2743 -109618.2114 298.2348 -86.9229 -62.4684 760398.3448 -8.9378 -8.8905 PRESSURE: 3732600 -192.916 -6.20812 -156.277 -6.2082 -333.185 193.964 -156.276 193.965 -337.845 GPRESSURE: 3732600 -180.607 83.8792 -202.7 36.283 -285.257 130.352 -0.649016 179.536 -318.171 PRESSAVG: 3732600 58.4398 -1.4739 -65.3416 -1.4739 -8.22742 3.01576 -65.3415 3.01591 -8.42597 GPRESSAVG: 3732600 58.9413 -0.31612 -65.9594 0.175644 -8.76329 2.59424 -63.8962 1.12623 -8.17546 TIMING: 3732600 CPU: 11794.5, 0.00315189/step Wall: 11794.5, 0.00315189/step, 1.10964 hours remaining, 237.648438 MB of memory in use. ENERGY: 3732600 3998.0558 20441.9427 14472.3186 251.7590 -203693.0892 2507.6126 0.0000 0.0000 51967.8654 -110053.5351 298.6600 -162021.4005 -109677.5399 298.2327 -287.9818 -261.3450 762411.3123 13.9288 14.0008 PRESSURE: 3732800 6.96233 149.049 -23.6093 149.049 297.668 122.111 -23.6089 122.111 -305.013 GPRESSURE: 3732800 -1.46541 235.364 -45.5605 69.8263 363.477 139.005 -21.7121 111.625 -279.912 PRESSAVG: 3732800 26.9477 17.0636 -54.5427 17.0637 -42.9836 -72.8831 -54.5427 -72.8831 -13.9972 GPRESSAVG: 3732800 27.1704 18.1944 -54.1293 13.7643 -42.9886 -74.5665 -56.1935 -72.6484 -14.8666 TIMING: 3732800 CPU: 11795.1, 0.0031479/step Wall: 11795.1, 0.0031479/step, 1.10806 hours remaining, 237.648438 MB of memory in use. ENERGY: 3732800 4093.1312 20402.5251 14380.5126 238.4123 -203840.3998 2833.5296 0.0000 0.0000 51912.1752 -109980.1139 298.3400 -161892.2892 -109613.3705 298.2583 -0.1277 27.3666 762043.7527 -10.0110 -10.2283 PRESSURE: 3733000 -45.7677 -86.7497 -177.805 -86.7501 256.944 125.717 -177.806 125.716 -63.9309 GPRESSURE: 3733000 86.2991 -103.421 -178.959 -49.7473 261.479 11.9494 -55.395 140.045 -100.54 PRESSAVG: 3733000 -45.1059 -36.1982 -98.9332 -36.1982 3.87983 -14.2577 -98.9332 -14.2576 21.3333 GPRESSAVG: 3733000 -45.0599 -36.1539 -98.7024 -35.2464 4.42931 -13.1299 -98.8666 -14.3523 20.6291 TIMING: 3733000 CPU: 11795.8, 0.00316358/step Wall: 11795.8, 0.00316358/step, 1.11341 hours remaining, 237.648438 MB of memory in use. ENERGY: 3733000 3958.0882 20450.1060 14470.0853 250.4898 -204082.0887 2920.6760 0.0000 0.0000 51909.4300 -110123.2135 298.3242 -162032.6435 -109765.0759 298.0487 49.0818 82.4126 758985.1318 -6.6309 -6.6672 PRESSURE: 3733200 648.872 145.479 151.817 145.479 -46.6112 -56.7285 151.817 -56.7299 -126.358 GPRESSURE: 3733200 587.771 133.464 119.791 -14.4175 55.9676 33.7405 135.705 -40.5939 -102.53 PRESSAVG: 3733200 39.6089 -35.1173 -56.0734 -35.1173 -33.9473 -26.4046 -56.0734 -26.4046 25.4502 GPRESSAVG: 3733200 39.161 -36.7197 -56.2524 -35.8668 -34.4271 -25.6594 -55.1192 -24.4349 26.3309 TIMING: 3733200 CPU: 11796.4, 0.00316057/step Wall: 11796.4, 0.00316057/step, 1.11217 hours remaining, 237.648438 MB of memory in use. ENERGY: 3733200 3932.6511 20526.7536 14454.0988 267.6556 -203862.0149 2638.0772 0.0000 0.0000 51778.1506 -110264.6280 297.5697 -162042.7785 -109912.1125 297.7410 158.6342 180.4030 760139.8850 10.3706 10.3549 PRESSURE: 3733400 82.9936 -17.6634 -62.6372 -17.6639 -5.30104 175.799 -62.6378 175.799 28.2343 GPRESSURE: 3733400 164.193 -86.2632 -67.3274 -168.583 -19.0371 67.9009 -36.5894 193.311 40.2457 PRESSAVG: 3733400 2.61578 -30.5963 -9.50097 -30.5963 -33.5073 20.7855 -9.50094 20.7855 19.1327 GPRESSAVG: 3733400 3.43753 -29.6821 -8.80657 -30.1405 -33.3347 21.1295 -10.0459 17.0466 18.1127 TIMING: 3733400 CPU: 11797, 0.00314736/step Wall: 11797, 0.00314736/step, 1.10734 hours remaining, 237.648438 MB of memory in use. ENERGY: 3733400 3905.8604 20300.5778 14389.3558 247.4883 -203714.3699 2575.1305 0.0000 0.0000 52013.1588 -110282.7982 298.9203 -162295.9570 -109924.2874 297.4294 35.3090 61.8005 759854.3878 -3.9196 -3.9281 PRESSURE: 3733600 -62.0548 77.6748 -179.838 77.6743 214.443 -48.7914 -179.838 -48.7922 72.6207 GPRESSURE: 3733600 20.2401 61.9047 -122.503 155.408 182.776 -83.6276 -85.4942 62.899 96.7195 PRESSAVG: 3733600 30.499 13.6718 -4.46539 13.6718 8.71258 -33.0378 -4.46541 -33.0378 -7.27869 GPRESSAVG: 3733600 31.3866 12.9337 -4.01237 12.1151 7.78848 -33.4594 -4.51217 -30.3092 -7.78211 TIMING: 3733600 CPU: 11797.7, 0.00314521/step Wall: 11797.7, 0.00314521/step, 1.10642 hours remaining, 237.648438 MB of memory in use. ENERGY: 3733600 3991.5210 20464.9754 14432.0995 250.2578 -204027.4991 2777.7346 0.0000 0.0000 51917.4410 -110193.4699 298.3702 -162110.9108 -109840.4652 297.9888 75.0029 99.9119 760561.0077 10.6443 10.4643 PRESSURE: 3733800 119.025 -133.943 75.561 -133.942 174.578 -17.8999 75.5614 -17.8991 -62.9883 GPRESSURE: 3733800 214.703 -113.788 153.809 -188.352 134.703 -12.9057 57.7437 -25.7259 -30.0463 PRESSAVG: 3733800 1.60027 -39.3614 5.71388 -39.3613 -0.414711 -20.0335 5.71393 -20.0336 12.394 GPRESSAVG: 3733800 -0.467081 -38.6625 3.62026 -40.6632 -0.294842 -19.9615 8.17276 -20.6397 13.6911 TIMING: 3733800 CPU: 11798.3, 0.00315715/step Wall: 11798.3, 0.00315715/step, 1.11044 hours remaining, 237.648438 MB of memory in use. ENERGY: 3733800 3999.2576 20420.8610 14466.6917 253.4280 -204282.0525 3165.7848 0.0000 0.0000 51830.6889 -110145.3404 297.8717 -161976.0293 -109787.6002 297.8577 76.8715 106.4534 760279.0868 4.5265 4.3097 PRESSURE: 3734000 20.323 64.6581 -21.8725 64.6581 169.604 -115.244 -21.8729 -115.244 -10.8467 GPRESSURE: 3734000 132.377 7.68759 -61.9446 105.881 175.648 -7.18094 -7.0401 -207.702 -34.4797 PRESSAVG: 3734000 51.4986 -16.5733 32.6831 -16.5733 -40.3465 40.0245 32.6831 40.0245 -2.74413 GPRESSAVG: 3734000 53.8959 -17.663 31.9218 -14.0152 -42.0343 40.1944 31.9804 39.1031 -3.37202 TIMING: 3734000 CPU: 11798.9, 0.0031346/step Wall: 11798.9, 0.0031346/step, 1.10233 hours remaining, 237.648438 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: 3734000 3910.9698 20605.4964 14407.0929 239.4583 -203490.5810 2544.3581 0.0000 0.0000 51950.1242 -109833.0813 298.5581 -161783.2055 -109468.4799 298.0694 59.6933 91.1817 760281.9686 2.8026 2.8299 PRESSURE: 3734200 331.829 261.35 46.2115 261.349 363.252 -152.786 46.2107 -152.787 256.596 GPRESSURE: 3734200 374.422 15.5569 118.098 131.501 308.614 -233.46 67.9882 -147.188 353.791 PRESSAVG: 3734200 36.0151 -5.11116 3.18511 -5.11124 -27.8367 19.6838 3.18507 19.6838 -10.3102 GPRESSAVG: 3734200 33.8788 -5.05917 4.73513 -7.47781 -26.405 18.5106 0.526374 18.4052 -9.62926 TIMING: 3734200 CPU: 11799.5, 0.003138/step Wall: 11799.5, 0.003138/step, 1.10336 hours remaining, 237.648438 MB of memory in use. ENERGY: 3734200 3871.5783 20640.6498 14437.6296 256.7650 -203774.9086 2827.8325 0.0000 0.0000 51852.8371 -109887.6163 297.9990 -161740.4534 -109530.7360 298.0864 317.2256 345.6090 760109.2742 -0.7106 -0.7185 PRESSURE: 3734400 -13.3119 -83.8279 -92.5643 -83.8272 197.69 -102.263 -92.5635 -102.265 0.66973 GPRESSURE: 3734400 -40.268 -111.821 -13.7295 -180.073 195.051 -97.3699 -2.95092 -20.5912 108.505 PRESSAVG: 3734400 15.377 -28.3698 -3.73395 -28.3698 -61.8858 -42.1391 -3.73395 -42.1391 6.56815 GPRESSAVG: 3734400 15.6061 -28.7634 -3.5539 -27.6766 -62.7345 -41.2765 -0.546402 -40.1407 6.91929 TIMING: 3734400 CPU: 11800.2, 0.00314536/step Wall: 11800.2, 0.00314536/step, 1.10577 hours remaining, 237.648438 MB of memory in use. ENERGY: 3734400 4015.1516 20589.3199 14386.5177 233.5943 -203795.7670 2785.4750 0.0000 0.0000 52087.6626 -109698.0460 299.3485 -161785.7086 -109326.9732 298.3984 61.6826 87.7625 761866.5014 -13.3135 -13.4030 PRESSURE: 3734600 142.416 -144.241 -10.8737 -144.241 -113.128 -68.0811 -10.8735 -68.0809 -122.152 GPRESSURE: 3734600 166.247 -102.185 -17.2028 -155.441 -48.6888 -26.6041 -64.3772 -26.1552 -118.747 PRESSAVG: 3734600 12.9569 -57.5804 12.0143 -57.5804 -21.0825 -19.5882 12.0142 -19.5882 12.9981 GPRESSAVG: 3734600 12.2038 -55.045 11.9219 -55.3836 -19.6464 -19.164 9.49985 -20.417 12.5549 TIMING: 3734600 CPU: 11800.8, 0.00314447/step Wall: 11800.8, 0.00314447/step, 1.10528 hours remaining, 237.648438 MB of memory in use. ENERGY: 3734600 3922.9963 20371.6242 14448.6760 243.0517 -203017.0455 2385.6239 0.0000 0.0000 51928.4263 -109716.6473 298.4334 -161645.0736 -109342.3105 298.2434 -30.9546 -0.3963 762834.0412 1.6241 1.7041 PRESSURE: 3734800 288.666 1.52331 161.227 1.52358 222.311 -11.933 161.228 -11.9329 117.578 GPRESSURE: 3734800 286.089 -2.31372 125.863 -26.9286 219.403 -30.0366 102.191 -108.657 206.898 PRESSAVG: 3734800 42.797 -54.4686 4.26779 -54.4686 4.1072 19.4221 4.26785 19.4221 11.5956 GPRESSAVG: 3734800 44.1447 -56.3118 4.77613 -56.0021 2.68435 19.1471 3.85609 18.426 11.8672 TIMING: 3734800 CPU: 11801.4, 0.00314472/step Wall: 11801.4, 0.00314472/step, 1.1052 hours remaining, 237.648438 MB of memory in use. ENERGY: 3734800 3920.7062 20496.5073 14442.6280 259.8562 -203685.9311 2815.3035 0.0000 0.0000 52306.4500 -109444.4797 300.6059 -161750.9298 -109075.5585 298.9572 209.5186 237.4632 761121.3702 19.4999 19.5654 PRESSURE: 3735000 -131.084 21.2463 -277.092 21.2461 -105.867 73.4821 -277.092 73.4814 21.8037 GPRESSURE: 3735000 -58.8063 -59.4669 -225.61 -130.101 -82.7279 24.7128 -299.085 -42.6744 -1.07186 PRESSAVG: 3735000 19.8528 8.24015 10.1054 8.24016 -38.1581 -6.94764 10.1053 -6.94768 -23.7807 GPRESSAVG: 3735000 19.0436 7.82273 8.91799 7.15405 -36.8421 -6.68262 10.0808 -6.20998 -24.1492 TIMING: 3735000 CPU: 11802.1, 0.00314404/step Wall: 11802.1, 0.00314404/step, 1.10478 hours remaining, 237.648438 MB of memory in use. ENERGY: 3735000 4032.2641 20537.7412 14386.5794 242.9384 -203193.1221 2584.3309 0.0000 0.0000 52018.5551 -109390.7131 298.9514 -161409.2682 -109034.6439 298.9694 -71.7159 -47.5354 762259.5329 -14.0287 -13.9826 PRESSURE: 3735200 -60.7075 -266.944 -249.14 -266.943 69.2774 214.319 -249.14 214.32 -31.4383 GPRESSURE: 3735200 -15.8996 -122.61 -172.618 -219.693 77.3942 232.516 -178.123 87.9242 -5.94266 PRESSAVG: 3735200 26.4168 -4.42988 -27.2827 -4.42985 -39.8334 -4.11862 -27.2827 -4.11873 -1.78942 GPRESSAVG: 3735200 26.7927 -4.59865 -27.6628 -4.8206 -38.9022 -5.90557 -27.9865 -2.12993 -3.15479 TIMING: 3735200 CPU: 11802.7, 0.00315486/step Wall: 11802.7, 0.00315486/step, 1.10841 hours remaining, 237.648438 MB of memory in use. ENERGY: 3735200 3973.4105 20490.6456 14508.4138 226.6886 -202950.3825 2297.7027 0.0000 0.0000 52015.2678 -109438.2536 298.9325 -161453.5214 -109078.6648 299.0171 -7.6228 18.5173 762246.3210 -5.0686 -5.0881 PRESSURE: 3735400 213.568 -346.015 15.2346 -346.015 132.912 -184.376 15.233 -184.377 -79.472 GPRESSURE: 3735400 231.785 -291.619 44.5012 -221.999 80.7313 -207.098 -28.3096 -169.181 33.6054 PRESSAVG: 3735400 19.3662 -31.009 19.8339 -31.009 -32.3414 -21.56 19.8339 -21.56 11.0448 GPRESSAVG: 3735400 19.7152 -29.1045 20.0453 -30.3804 -34.3352 -19.7412 23.1188 -23.4983 12.5785 TIMING: 3735400 CPU: 11803.3, 0.00314163/step Wall: 11803.3, 0.00314163/step, 1.10358 hours remaining, 237.648438 MB of memory in use. ENERGY: 3735400 3998.7826 20512.0849 14456.4923 265.1931 -203449.7426 2655.6560 0.0000 0.0000 52124.1497 -109437.3840 299.5582 -161561.5337 -109066.5556 299.0595 89.0027 115.3740 761355.9364 -0.6435 -0.6805 PRESSURE: 3735600 351.779 -9.28447 32.8342 -9.28391 -248.612 61.3014 32.8341 61.301 174.943 GPRESSURE: 3735600 302.326 -51.8502 24.2804 -23.7355 -177.835 3.14755 21.8311 137.452 219.701 PRESSAVG: 3735600 53.6385 -40.7659 -11.0328 -40.7659 -69.3888 -42.6994 -11.0328 -42.6993 -10.7325 GPRESSAVG: 3735600 52.8031 -43.3498 -10.2194 -38.6859 -69.5162 -43.8568 -13.2474 -42.112 -10.5159 TIMING: 3735600 CPU: 11803.9, 0.00314273/step Wall: 11803.9, 0.00314273/step, 1.1038 hours remaining, 237.648438 MB of memory in use. ENERGY: 3735600 3957.7100 20487.8417 14461.3647 234.5723 -203223.8252 2359.9302 0.0000 0.0000 52248.1201 -109474.2860 300.2707 -161722.4062 -109108.2665 299.5600 92.7034 114.7306 760424.8082 -8.8276 -9.0763 PRESSURE: 3735800 16.4229 -5.4992 -163.866 -5.49874 161.392 -71.0596 -163.866 -71.06 312.441 GPRESSURE: 3735800 80.3876 46.6155 -142.887 103.196 172.697 -38.115 21.6568 122.371 325.867 PRESSAVG: 3735800 4.83593 -40.5808 1.53374 -40.5808 -15.9041 29.4747 1.5338 29.4747 -21.8456 GPRESSAVG: 3735800 5.91479 -38.7997 1.06976 -41.8059 -16.8557 30.9208 3.07051 28.8715 -21.6581 TIMING: 3735800 CPU: 11804.6, 0.0031429/step Wall: 11804.6, 0.0031429/step, 1.10368 hours remaining, 237.648438 MB of memory in use. ENERGY: 3735800 3915.0802 20507.6606 14421.6628 244.3134 -203428.9992 2860.1297 0.0000 0.0000 51946.4679 -109533.6846 298.5371 -161480.1525 -109167.6915 299.3561 163.4187 192.9839 760027.7719 -10.9713 -10.8663 PRESSURE: 3736000 -200.046 172.352 -78.1995 172.352 341.894 51.8539 -78.1995 51.853 330.381 GPRESSURE: 3736000 -142.66 281.107 -56.1221 82.632 297.962 37.6209 -108.186 -108.891 407.568 PRESSAVG: 3736000 54.8057 -33.6154 20.3337 -33.6153 -32.255 -36.5625 20.3337 -36.5625 -5.84252 GPRESSAVG: 3736000 55.2697 -33.8844 17.7887 -34.9464 -31.5533 -36.9432 21.7188 -34.5226 -6.71027 TIMING: 3736000 CPU: 11805.2, 0.00314461/step Wall: 11805.2, 0.00314461/step, 1.10411 hours remaining, 237.648438 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: 3736000 4025.6554 20540.2019 14435.2971 230.6922 -203436.0315 2660.8758 0.0000 0.0000 51984.8645 -109558.4447 298.7577 -161543.3092 -109213.7895 299.2247 157.4095 187.6232 760619.5536 5.5694 5.6687 PRESSURE: 3736200 45.9639 -193.312 228.646 -193.311 171.701 159.198 228.647 159.199 99.0605 GPRESSURE: 3736200 174.631 -23.6276 238.849 -110.931 135.24 107.874 206.568 153.451 87.586 PRESSAVG: 3736200 -21.006 -2.44733 5.69213 -2.44729 11.864 28.9189 5.69219 28.9189 -13.4122 GPRESSAVG: 3736200 -20.4784 -1.34606 8.02465 -1.96961 11.6152 28.0508 3.46505 28.0534 -14.2949 TIMING: 3736200 CPU: 11805.8, 0.00316012/step Wall: 11805.8, 0.00316012/step, 1.10938 hours remaining, 237.648438 MB of memory in use. ENERGY: 3736200 3884.2695 20619.1093 14449.7472 240.4306 -203368.0408 2600.2034 0.0000 0.0000 52297.6061 -109276.6747 300.5551 -161574.2808 -108914.9416 299.0692 105.5751 132.4857 759998.9255 -7.5181 -7.7194 LDB: ============= START OF LOAD BALANCING ============== 11818.4 LDB: ============== END OF LOAD BALANCING =============== 11818.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11818.4 LDB: ============= START OF LOAD BALANCING ============== 11818.7 LDB: Largest compute 7075 load 0.032738 is 16.7% of average load 0.195551 LDB: Average compute 0.004393 is 2.2% of average load 0.195551 LDB: TIME 11818.7 LOAD: AVG 0.195551 MAX 0.212207 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 11818.7 LOAD: AVG 0.195551 MAX 0.212207 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 11818.7 LOAD: AVG 0.195551 MAX 0.212207 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 11818.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11818.7 PRESSURE: 3736400 119.727 -73.8696 -118.438 -73.869 -358.188 35.9168 -118.439 35.9176 -289.34 GPRESSURE: 3736400 61.8398 99.8179 -71.3182 -7.73914 -330.974 69.1041 -152.104 -1.83156 -171.046 PRESSAVG: 3736400 -13.1125 -31.6516 -5.53774 -31.6516 18.5967 -1.66574 -5.53779 -1.6657 -1.07685 GPRESSAVG: 3736400 -15.5301 -33.1454 -5.75882 -29.5954 19.4368 -0.737608 -5.27394 -0.784493 1.19347 TIMING: 3736400 CPU: 11806.5, 0.00323455/step Wall: 11806.5, 0.00323455/step, 1.13533 hours remaining, 236.675781 MB of memory in use. ENERGY: 3736400 4036.9228 20540.7025 14570.7470 256.1740 -203048.2626 2369.4027 0.0000 0.0000 52127.3763 -109146.9371 299.5767 -161274.3135 -108789.4823 299.6411 -175.9336 -146.7268 760634.6578 1.4691 1.7001 PRESSURE: 3736600 36.1159 139.321 45.7063 139.322 158.064 -9.71879 45.7052 -9.7185 -140.511 GPRESSURE: 3736600 71.4377 64.9202 86.1463 165.438 167.759 48.9106 65.5623 -23.215 -101.662 PRESSAVG: 3736600 -11.1642 -34.9938 24.9744 -34.9938 -35.579 1.37248 24.9743 1.37257 14.2019 GPRESSAVG: 3736600 -9.04942 -35.243 24.5039 -34.5028 -36.8871 2.22705 24.3938 -0.0584005 12.8684 TIMING: 3736600 CPU: 11807.1, 0.0031602/step Wall: 11807.1, 0.0031602/step, 1.10906 hours remaining, 236.742188 MB of memory in use. ENERGY: 3736600 4031.3078 20566.2651 14413.3238 257.5701 -203412.4909 2699.2640 0.0000 0.0000 52120.3578 -109324.4023 299.5364 -161444.7601 -108964.4222 299.4754 17.8897 45.8449 760680.3807 -10.8471 -11.0227 PRESSURE: 3736800 -105.89 130.918 20.528 130.917 -602.654 85.4427 20.5279 85.4426 -179.115 GPRESSURE: 3736800 -77.3659 86.6945 75.1126 83.0806 -442.909 114.793 2.57466 85.1028 -284.693 PRESSAVG: 3736800 17.4526 28.5956 -5.58946 28.5956 -20.595 -48.5975 -5.58941 -48.5975 -12.0361 GPRESSAVG: 3736800 16.5263 28.1082 -4.7001 26.7374 -18.8272 -49.4495 -4.51334 -50.8211 -12.8581 TIMING: 3736800 CPU: 11807.7, 0.00314796/step Wall: 11807.7, 0.00314796/step, 1.10458 hours remaining, 236.742188 MB of memory in use. ENERGY: 3736800 3998.5525 20519.7991 14463.4914 253.4222 -203349.7700 2418.0387 0.0000 0.0000 52185.8854 -109510.5808 299.9130 -161696.4662 -109145.6410 298.9218 -295.8864 -268.3229 761351.7452 -5.0595 -5.0530 PRESSURE: 3737000 -440.665 -42.3581 23.0414 -42.3584 97.4649 -112.182 23.0412 -112.181 -151.955 GPRESSURE: 3737000 -335.7 -52.1538 85.8889 10.8022 128.396 -27.1492 -0.127761 -168.976 -184.985 PRESSAVG: 3737000 3.56918 57.2353 5.64853 57.2352 -9.25323 16.3084 5.64852 16.3084 29.2249 GPRESSAVG: 3737000 3.19263 58.5656 4.75137 56.6118 -10.0151 15.794 7.14113 20.08 29.9488 TIMING: 3737000 CPU: 11808.4, 0.0031385/step Wall: 11808.4, 0.0031385/step, 1.10109 hours remaining, 236.742188 MB of memory in use. ENERGY: 3737000 3973.2081 20533.4823 14496.9640 238.1158 -202907.0436 2336.1910 0.0000 0.0000 51824.4219 -109504.6605 297.8357 -161329.0824 -109145.7047 299.2356 -165.0518 -130.7630 761874.3994 7.8469 7.7088 PRESSURE: 3737200 -7.19013 14.6349 242.898 14.6341 -86.6349 65.9847 242.898 65.9858 -146.753 GPRESSURE: 3737200 87.7041 48.0457 170.562 95.6573 -109.651 15.7101 159.456 160.632 -124.752 PRESSAVG: 3737200 32.7792 -42.206 8.6417 -42.2059 -13.4474 -30.9025 8.64173 -30.9025 -0.93159 GPRESSAVG: 3737200 33.2348 -43.5757 6.79679 -39.5554 -14.4616 -30.9107 7.21198 -31.7831 -1.08289 TIMING: 3737200 CPU: 11809, 0.00314048/step Wall: 11809, 0.00314048/step, 1.10161 hours remaining, 236.742188 MB of memory in use. ENERGY: 3737200 4061.3765 20669.8193 14527.9073 254.3647 -203878.0423 2898.3772 0.0000 0.0000 52111.3578 -109354.8394 299.4847 -161466.1972 -109001.0431 299.2832 -80.1927 -48.8996 760609.9634 6.1334 5.8967 PRESSURE: 3737400 9.69896 -41.2722 89.6059 -41.2724 186.963 -67.3878 89.6052 -67.3876 15.0294 GPRESSURE: 3737400 29.6284 56.4278 13.1372 -55.1487 200.669 -141.698 22.5861 -72.9176 76.6117 PRESSAVG: 3737400 26.8582 -45.2266 -14.8552 -45.2266 -22.768 -24.6769 -14.8552 -24.6769 33.1745 GPRESSAVG: 3737400 26.053 -42.8379 -13.3243 -48.5227 -22.2026 -24.319 -16.6511 -25.459 33.4815 TIMING: 3737400 CPU: 11809.6, 0.00314987/step Wall: 11809.6, 0.00314987/step, 1.10473 hours remaining, 236.742188 MB of memory in use. ENERGY: 3737400 3929.3175 20593.0852 14430.4066 256.7775 -203486.8119 2783.0181 0.0000 0.0000 51956.2239 -109537.9831 298.5931 -161494.2070 -109172.5024 299.3968 70.5638 102.3029 761506.5871 12.4216 12.4440 PRESSURE: 3737600 -104.644 8.82976 -165.054 8.82967 -305.981 -335.84 -165.052 -335.84 -86.0422 GPRESSURE: 3737600 -123.294 103.797 -145.564 -13.1257 -251.226 -359.455 -204.861 -361.945 -20.3981 PRESSAVG: 3737600 39.3312 -23.4766 -6.521 -23.4767 -33.888 -22.1797 -6.52095 -22.1797 -22.6651 GPRESSAVG: 3737600 39.3324 -24.8149 -5.8419 -21.7014 -33.5997 -21.5538 -7.06112 -21.0789 -23.3189 TIMING: 3737600 CPU: 11810.3, 0.00314871/step Wall: 11810.3, 0.00314871/step, 1.10415 hours remaining, 236.742188 MB of memory in use. ENERGY: 3737600 4066.3146 20680.6538 14453.1498 232.8657 -203249.4566 2513.8812 0.0000 0.0000 51920.1914 -109382.4002 298.3861 -161302.5915 -109024.4890 299.4316 -165.5558 -131.6396 761798.3299 -5.7406 -5.8621 PRESSURE: 3737800 495.93 -62.0112 -5.41396 -62.0109 35.0906 -1.06141 -5.41387 -1.06046 -48.9088 GPRESSURE: 3737800 480.432 -45.5208 18.183 -53.3233 88.1375 13.3583 86.4572 42.3828 -19.0494 PRESSAVG: 3737800 50.2435 28.8553 -13.449 28.8553 -37.6947 -24.4023 -13.449 -24.4023 -0.0595696 GPRESSAVG: 3737800 50.8518 28.7761 -14.7809 29.6284 -39.2818 -25.3716 -10.809 -25.5951 0.50973 TIMING: 3737800 CPU: 11810.9, 0.00314813/step Wall: 11810.9, 0.00314813/step, 1.10377 hours remaining, 236.742188 MB of memory in use. ENERGY: 3737800 3910.7859 20715.9282 14439.6685 233.0064 -203240.5725 2488.2721 0.0000 0.0000 52105.9904 -109346.9210 299.4538 -161452.9115 -108977.0011 300.0491 160.7038 183.1734 761086.0918 4.1631 4.0266 PRESSURE: 3738000 253.151 -102.393 53.4283 -102.392 -155.862 -20.1665 53.4288 -20.1663 323.135 GPRESSURE: 3738000 261.166 -98.3297 -10.1837 -37.2341 -75.6586 40.8207 97.7892 68.7761 313.868 PRESSAVG: 3738000 80.1566 8.84808 -15.6669 8.84803 -77.5216 18.6384 -15.6669 18.6385 6.1153 GPRESSAVG: 3738000 77.7194 9.85556 -14.9761 8.19901 -74.2553 19.0641 -16.2051 19.0003 5.51221 TIMING: 3738000 CPU: 11811.5, 0.00315379/step Wall: 11811.5, 0.00315379/step, 1.10558 hours remaining, 236.742188 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: 3738000 3953.8794 20385.6325 14446.4306 248.6260 -203330.2406 2673.5822 0.0000 0.0000 52184.4294 -109437.6604 299.9046 -161622.0898 -109070.2038 299.2080 140.1411 166.4583 760661.3489 2.9168 2.9921 PRESSURE: 3738200 -257.345 131.806 1.54458 131.807 86.6845 -163.243 1.54424 -163.242 182.699 GPRESSURE: 3738200 -248.017 137.506 -27.9052 86.8247 171.499 -156.586 28.4433 -91.674 168.333 PRESSAVG: 3738200 10.6047 9.52006 21.8075 9.52004 16.5003 -14.304 21.8075 -14.304 8.47384 GPRESSAVG: 3738200 12.7045 8.75202 22.8377 9.59925 14.9769 -13.3316 21.52 -15.5295 8.20914 TIMING: 3738200 CPU: 11812.2, 0.00317504/step Wall: 11812.2, 0.00317504/step, 1.11285 hours remaining, 236.742188 MB of memory in use. ENERGY: 3738200 3946.7862 20638.5002 14473.1522 249.5056 -203339.1740 2564.9971 0.0000 0.0000 51987.5541 -109478.6787 298.7732 -161466.2328 -109119.2197 299.0422 4.0129 30.6049 761266.8360 11.8596 11.9635 PRESSURE: 3738400 -286.039 -104.486 -64.3521 -104.486 -50.141 -48.3598 -64.352 -48.3599 81.9293 GPRESSURE: 3738400 -198.1 -129.565 -94.6903 -148.816 -5.60777 -27.1361 -18.9549 -138.163 26.7389 PRESSAVG: 3738400 10.5252 -9.42945 0.914101 -9.42956 -2.53933 -28.9754 0.914036 -28.9754 0.54708 GPRESSAVG: 3738400 9.78345 -7.50369 0.596771 -9.36633 -2.591 -30.2367 -0.872318 -26.5711 1.40456 TIMING: 3738400 CPU: 11812.8, 0.00316461/step Wall: 11812.8, 0.00316461/step, 1.10902 hours remaining, 236.742188 MB of memory in use. ENERGY: 3738400 3962.9099 20467.3592 14519.9024 258.0920 -203135.4793 2300.1082 0.0000 0.0000 52318.1522 -109308.9554 300.6731 -161627.1076 -108931.0864 299.0785 -84.7504 -58.9896 761626.1232 2.8443 2.8657 PRESSURE: 3738600 -217.987 -347.079 -32.2462 -347.079 -353.049 -51.7849 -32.2464 -51.7848 307.358 GPRESSURE: 3738600 -54.8477 -249.123 56.9276 -340.499 -428.844 -106.392 48.7849 -118.107 310.653 PRESSAVG: 3738600 -1.59896 -62.493 -15.0473 -62.493 2.64408 27.7948 -15.0472 27.7947 -23.246 GPRESSAVG: 3738600 0.235794 -64.3103 -14.5798 -61.4591 2.49843 27.625 -13.4087 25.5544 -25.5221 TIMING: 3738600 CPU: 11813.4, 0.0031675/step Wall: 11813.4, 0.0031675/step, 1.10986 hours remaining, 236.742188 MB of memory in use. ENERGY: 3738600 3909.6939 20558.9083 14509.4644 225.5489 -203245.7394 2619.4657 0.0000 0.0000 52055.8864 -109366.7719 299.1659 -161422.6582 -109014.1089 299.5522 -87.8930 -57.6797 760575.6893 -7.4003 -7.5960 PRESSURE: 3738800 -403.592 -122.015 -46.9406 -122.016 4.59499 15.8657 -46.9398 15.865 -235.449 GPRESSURE: 3738800 -371.916 23.8362 -90.0425 -106.294 -6.1292 -79.589 -113.603 116.033 -181.438 PRESSAVG: 3738800 -43.4226 -56.5231 -35.285 -56.5231 22.1305 -2.7143 -35.285 -2.71427 3.19558 GPRESSAVG: 3738800 -43.3282 -55.6539 -36.6692 -57.8985 21.312 -2.22495 -34.9042 -1.82497 4.06167 TIMING: 3738800 CPU: 11814, 0.00315323/step Wall: 11814, 0.00315323/step, 1.10468 hours remaining, 236.742188 MB of memory in use. ENERGY: 3738800 4037.5770 20621.3982 14506.0658 242.7779 -203373.9367 2602.5068 0.0000 0.0000 52190.3680 -109173.2430 299.9388 -161363.6109 -108805.3266 299.5856 -211.4822 -186.4941 760752.5031 -6.0322 -5.9849 PRESSURE: 3739000 50.3241 91.7931 -139.909 91.7929 36.4407 -220.645 -139.91 -220.645 -267.394 GPRESSURE: 3739000 124.308 -55.6413 -97.3173 171.65 -17.4612 -291.152 -203.651 -322.804 -203.534 PRESSAVG: 3739000 30.969 -31.7074 -29.2378 -31.7073 -11.6083 -16.8395 -29.2379 -16.8394 7.82876 GPRESSAVG: 3739000 30.6561 -32.1303 -29.8521 -30.8269 -13.0004 -17.2049 -30.287 -16.929 9.39011 TIMING: 3739000 CPU: 11814.7, 0.00315622/step Wall: 11814.7, 0.00315622/step, 1.10555 hours remaining, 236.742188 MB of memory in use. ENERGY: 3739000 3954.0876 20647.0370 14493.8539 252.5992 -203262.4816 2596.0658 0.0000 0.0000 51828.8614 -109489.9767 297.8612 -161318.8381 -109134.3637 299.3077 -60.2099 -32.2288 760368.1151 9.0631 9.0153 PRESSURE: 3739200 98.4962 81.2733 -140.149 81.2734 -316.086 143.371 -140.15 143.371 143.139 GPRESSURE: 3739200 126 147.126 -180.818 23.6994 -275.683 139.764 -168.314 138.945 153.691 PRESSAVG: 3739200 15.1282 -7.87506 -1.94698 -7.87503 7.90692 12.3596 -1.94691 12.3596 19.9842 GPRESSAVG: 3739200 16.0437 -7.95584 -1.90648 -9.1433 8.45779 12.0029 -3.42174 12.3037 18.8877 TIMING: 3739200 CPU: 11815.3, 0.00315445/step Wall: 11815.3, 0.00315445/step, 1.10476 hours remaining, 236.742188 MB of memory in use. ENERGY: 3739200 3984.8957 20632.9127 14518.7978 255.6826 -203611.2432 2639.2938 0.0000 0.0000 52131.6014 -109448.0591 299.6010 -161579.6606 -109083.5793 299.3158 -24.8170 1.3361 759566.2903 14.3397 14.4631 PRESSURE: 3739400 -137.455 -272.03 -195.543 -272.03 -181.965 -102.058 -195.543 -102.059 15.1684 GPRESSURE: 3739400 -46.1931 -174.493 -171.036 -307.803 -84.2781 -73.4515 -205.239 -154.869 -98.2286 PRESSAVG: 3739400 -34.5702 -19.3531 7.32151 -19.3531 29.6986 -32.5913 7.32146 -32.5914 -41.8535 GPRESSAVG: 3739400 -36.7336 -17.6504 6.29734 -19.0846 30.9799 -33.698 9.58959 -30.576 -41.67 TIMING: 3739400 CPU: 11815.9, 0.00315966/step Wall: 11815.9, 0.00315966/step, 1.10641 hours remaining, 236.742188 MB of memory in use. ENERGY: 3739400 4060.5011 20684.8144 14394.2617 243.4098 -202877.5200 2228.3686 0.0000 0.0000 51943.7193 -109322.4452 298.5213 -161266.1644 -108959.8359 299.0442 -101.4173 -76.2333 759768.5992 -15.5751 -15.8079 PRESSURE: 3739600 -29.2065 -82.1817 -108.398 -82.1818 56.3632 -133.802 -108.398 -133.801 -46.4244 GPRESSURE: 3739600 3.72917 -148.757 -57.1132 -23.6784 122.656 -125.248 -103.801 -98.0314 -78.3856 PRESSAVG: 3739600 -47.2848 34.8277 -48.2004 34.8276 57.5798 17.1438 -48.2004 17.1438 4.9144 GPRESSAVG: 3739600 -46.5423 32.5939 -46.8834 35.6299 57.243 17.765 -48.4432 14.1147 3.98913 TIMING: 3739600 CPU: 11816.6, 0.00315319/step Wall: 11816.6, 0.00315319/step, 1.10397 hours remaining, 236.742188 MB of memory in use. ENERGY: 3739600 3947.6017 20484.0437 14506.4139 240.0644 -203379.5336 2781.5889 0.0000 0.0000 51884.9482 -109534.8728 298.1835 -161419.8209 -109177.1191 299.0047 -6.4226 15.9997 760745.6087 5.0698 4.8966 PRESSURE: 3739800 -254.291 -36.8505 -97.058 -36.8503 -484.741 -20.4445 -97.0589 -20.4438 -226.925 GPRESSURE: 3739800 -232.442 -29.6811 -78.5543 -28.3632 -455.228 -41.3489 -85.3792 26.3374 -212.439 PRESSAVG: 3739800 -34.7219 8.56657 -25.1682 8.56651 13.6977 68.5937 -25.1683 68.5937 0.978139 GPRESSAVG: 3739800 -35.2578 9.23842 -23.822 8.78464 13.2091 69.3412 -27.1174 69.5641 2.19924 TIMING: 3739800 CPU: 11817.2, 0.00315582/step Wall: 11817.2, 0.00315582/step, 1.10471 hours remaining, 236.742188 MB of memory in use. ENERGY: 3739800 3998.0469 20525.4399 14541.6024 245.4198 -203258.6787 2345.8329 0.0000 0.0000 52102.8375 -109499.4993 299.4357 -161602.3369 -109130.6945 299.0770 -321.9858 -300.0366 761908.9368 -6.6820 -6.6165 PRESSURE: 3740000 282.416 232.796 -124.438 232.796 60.3726 -3.64594 -124.438 -3.64568 47.6119 GPRESSURE: 3740000 296.35 240.769 -61.6098 217.864 82.1715 69.2954 -166.895 -39.8402 86.6603 PRESSAVG: 3740000 -17.8827 35.9382 -9.38045 35.9382 16.1026 33.357 -9.38045 33.3569 -11.7536 GPRESSAVG: 3740000 -17.4999 36.9149 -10.1506 33.6828 16.3494 33.6763 -10.827 32.411 -12.2024 TIMING: 3740000 CPU: 11817.8, 0.00316853/step Wall: 11817.8, 0.00316853/step, 1.10899 hours remaining, 236.742188 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: 3740000 4004.4625 20623.2996 14452.7542 250.4895 -203526.8234 2717.8992 0.0000 0.0000 51988.3677 -109489.5506 298.7779 -161477.9183 -109120.4133 298.6382 130.1333 155.0606 760144.5980 -4.5112 -4.4510 PRESSURE: 3740200 331.414 194.199 97.4218 194.199 362.842 25.1103 97.4212 25.1108 91.6876 GPRESSURE: 3740200 364.369 205.713 -47.2864 243.62 382.835 95.3 154.207 53.1194 102.998 PRESSAVG: 3740200 -2.41418 20.9525 -17.3861 20.9524 -15.1098 44.3927 -17.3862 44.3929 16.9379 GPRESSAVG: 3740200 -1.13302 20.4711 -20.1203 22.262 -15.5497 45.7787 -13.6414 44.2734 16.4258 TIMING: 3740200 CPU: 11818.5, 0.0031612/step Wall: 11818.5, 0.0031612/step, 1.10624 hours remaining, 236.742188 MB of memory in use. ENERGY: 3740200 3947.6714 20512.4215 14451.6597 222.6775 -203457.4106 2813.1649 0.0000 0.0000 51964.2515 -109545.5641 298.6393 -161509.8155 -109186.1782 298.9872 261.9812 283.4007 761470.0951 -0.1954 -0.0857 LDB: ============= START OF LOAD BALANCING ============== 11831 LDB: ============== END OF LOAD BALANCING =============== 11831 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11831 LDB: ============= START OF LOAD BALANCING ============== 11831.3 LDB: Largest compute 7057 load 0.033748 is 17.3% of average load 0.195627 LDB: Average compute 0.004390 is 2.2% of average load 0.195627 LDB: TIME 11831.3 LOAD: AVG 0.195627 MAX 0.214107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 11831.3 LOAD: AVG 0.195627 MAX 0.214107 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: TIME 11831.3 LOAD: AVG 0.195627 MAX 0.214107 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.637 MB LDB: ============== END OF LOAD BALANCING =============== 11831.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11831.3 PRESSURE: 3740400 7.90841 26.8102 -250.901 26.8094 -256.466 -221.526 -250.9 -221.527 70.2915 GPRESSURE: 3740400 125.338 18.0926 -213.365 67.1565 -193.04 -263.565 -226.934 -262.888 -4.80596 PRESSAVG: 3740400 46.2565 -54.0973 -69.8396 -54.0973 -17.7538 -1.38497 -69.8395 -1.38486 -3.12846 GPRESSAVG: 3740400 45.4985 -54.1955 -67.2694 -55.017 -16.8864 -3.28258 -69.2272 -1.63782 -2.54193 TIMING: 3740400 CPU: 11819.1, 0.00324051/step Wall: 11819.1, 0.00324051/step, 1.13382 hours remaining, 235.394531 MB of memory in use. ENERGY: 3740400 3997.7029 20586.8648 14424.4545 232.1751 -203739.4947 2600.4054 0.0000 0.0000 52307.9678 -109589.9242 300.6146 -161897.8920 -109226.0491 299.0367 -59.4219 -24.1694 760006.8949 8.4581 8.6901 PRESSURE: 3740600 171.989 43.9039 -26.1774 43.9026 222.365 -47.4705 -26.1763 -47.47 171.535 GPRESSURE: 3740600 236.193 64.5615 11.9197 10.0907 248.956 -55.8658 86.421 -82.4897 166.338 PRESSAVG: 3740600 32.4999 -23.986 32.9497 -23.986 -15.4765 43.3938 32.9497 43.3938 -27.1834 GPRESSAVG: 3740600 32.0957 -23.4646 35.17 -23.0176 -15.4807 44.7215 30.4446 42.5835 -26.6474 TIMING: 3740600 CPU: 11819.7, 0.00315851/step Wall: 11819.7, 0.00315851/step, 1.10495 hours remaining, 235.394531 MB of memory in use. ENERGY: 3740600 4044.0362 20495.0952 14495.3003 262.7124 -203605.8940 2795.2572 0.0000 0.0000 51916.1437 -109597.3489 298.3628 -161513.4927 -109239.9518 299.0262 188.6298 217.1623 760409.7989 -3.3867 -3.3441 PRESSURE: 3740800 -30.6745 -157 54.246 -157 211.633 -181.89 54.2471 -181.891 135.496 GPRESSURE: 3740800 -28.2186 -109.94 -33.9099 -105.173 247.703 -105.546 -13.5321 -146.79 168.212 PRESSAVG: 3740800 -11.5704 6.37362 58.4201 6.37363 10.5338 44.4178 58.4201 44.4179 -3.85912 GPRESSAVG: 3740800 -10.7613 7.20265 56.9613 7.57022 10.6022 44.804 59.1931 45.448 -4.67702 TIMING: 3740800 CPU: 11820.4, 0.00318136/step Wall: 11820.4, 0.00318136/step, 1.11277 hours remaining, 235.394531 MB of memory in use. ENERGY: 3740800 3952.0237 20649.4059 14413.9599 247.2043 -203592.8723 2730.2003 0.0000 0.0000 51979.0438 -109621.0345 298.7243 -161600.0783 -109276.4574 298.6023 105.4848 129.2321 761363.1307 -1.6319 -1.6120 PRESSURE: 3741000 7.15697 131.962 -198.209 131.961 104.3 90.8559 -198.209 90.8562 13.2329 GPRESSURE: 3741000 87.4625 98.8046 -124.395 78.3444 95.1615 117.362 -287.657 -2.33967 8.17032 PRESSAVG: 3741000 -55.3974 -2.46235 -8.41353 -2.46244 30.7222 9.79757 -8.4135 9.79761 -8.57124 GPRESSAVG: 3741000 -55.3984 -1.3401 -7.80392 -3.11431 29.8547 9.77396 -10.2887 9.27293 -7.39042 TIMING: 3741000 CPU: 11821, 0.00317267/step Wall: 11821, 0.00317267/step, 1.10955 hours remaining, 235.394531 MB of memory in use. ENERGY: 3741000 4018.2056 20367.7046 14473.4924 254.1134 -203726.2172 2610.9231 0.0000 0.0000 52283.7791 -109717.9990 300.4756 -162001.7780 -109355.6103 298.2869 41.5634 63.5981 760974.9638 -11.0821 -10.9780 PRESSURE: 3741200 -225.663 26.8497 184.354 26.8498 -317.133 191.69 184.354 191.69 -52.9752 GPRESSURE: 3741200 -147.665 67.9099 213.556 23.845 -299.556 111.785 76.4902 111.144 -38.3016 PRESSAVG: 3741200 -72.7246 63.4046 -25.4302 63.4045 5.6216 -10.0184 -25.4302 -10.0185 16.6778 GPRESSAVG: 3741200 -72.7273 62.0524 -27.2913 61.1199 6.35879 -12.8037 -22.3562 -9.95053 15.9184 TIMING: 3741200 CPU: 11821.6, 0.00314157/step Wall: 11821.6, 0.00314157/step, 1.0985 hours remaining, 235.394531 MB of memory in use. ENERGY: 3741200 3986.9287 20711.0598 14424.1246 244.4338 -203023.2876 2362.9430 0.0000 0.0000 51584.3648 -109709.4328 296.4561 -161293.7977 -109356.7534 298.3578 -198.5902 -161.8410 762875.0475 -16.8084 -16.8167 PRESSURE: 3741400 143.63 201.658 -78.7999 201.657 -160.317 -104.622 -78.8009 -104.623 -264.051 GPRESSURE: 3741400 114.478 235.005 -122.305 137.752 -93.7247 63.6999 -42.2054 -196.196 -222.517 PRESSAVG: 3741400 -14.3268 35.6939 33.3136 35.694 16.3185 -6.38904 33.3136 -6.38899 -24.4666 GPRESSAVG: 3741400 -13.9525 33.628 33.8834 37.2001 16.0207 -4.92144 30.151 -4.52139 -25.0771 TIMING: 3741400 CPU: 11822.3, 0.00315732/step Wall: 11822.3, 0.00315732/step, 1.10383 hours remaining, 235.394531 MB of memory in use. ENERGY: 3741400 4018.0031 20447.5506 14432.1720 246.0236 -203686.7693 2851.6820 0.0000 0.0000 51880.3966 -109810.9413 298.1574 -161691.3380 -109446.6451 298.4111 -93.5794 -67.2548 760983.3787 -7.4916 -7.6696 PRESSURE: 3741600 -318.324 40.5891 -208.396 40.5888 -88.454 94.397 -208.395 94.3959 164.316 GPRESSURE: 3741600 -311.962 116.295 -205.812 114.814 -4.95609 41.7177 -136.705 29.7069 165.911 PRESSAVG: 3741600 -21.1536 36.8461 15.8627 36.8461 38.3083 -55.5649 15.8627 -55.5649 7.25253 GPRESSAVG: 3741600 -20.8624 38.9707 15.4957 36.1419 38.8253 -55.639 18.246 -54.8551 6.38459 TIMING: 3741600 CPU: 11822.9, 0.00317262/step Wall: 11822.9, 0.00317262/step, 1.10901 hours remaining, 235.394531 MB of memory in use. ENERGY: 3741600 3986.7288 20627.8512 14388.0191 253.9960 -203544.3075 2545.7172 0.0000 0.0000 51961.3774 -109780.6177 298.6227 -161741.9951 -109423.6086 298.4593 -80.8206 -50.3358 760711.8414 8.1357 8.1158 PRESSURE: 3741800 -21.8053 89.5877 -184.085 89.5879 8.51223 -95.9124 -184.084 -95.9128 -288.392 GPRESSURE: 3741800 -7.01497 145.964 -143.973 -15.7624 6.78515 -92.4105 -125.966 -148.418 -216.032 PRESSAVG: 3741800 -25.3958 37.0184 -41.6493 37.0185 13.0318 -38.8365 -41.6493 -38.8364 2.60097 GPRESSAVG: 3741800 -25.1007 35.2863 -40.832 39.4916 11.9663 -39.0154 -42.8177 -40.5131 3.33528 TIMING: 3741800 CPU: 11823.5, 0.00315541/step Wall: 11823.5, 0.00315541/step, 1.10282 hours remaining, 235.394531 MB of memory in use. ENERGY: 3741800 4011.6934 20313.5815 14420.7562 233.3795 -203169.3198 2562.6644 0.0000 0.0000 51884.7088 -109742.5360 298.1821 -161627.2448 -109391.7751 298.5956 -100.5617 -72.0874 761500.3677 -3.2544 -3.2663 PRESSURE: 3742000 173.615 -49.5953 -12.5416 -49.5942 -27.2998 -43.5212 -12.5421 -43.5212 -301.883 GPRESSURE: 3742000 122.725 70.687 59.7505 -13.3469 96.1355 -88.2174 82.7033 12.7088 -294.386 PRESSAVG: 3742000 79.9987 2.57759 58.5248 2.57763 -67.6841 -43.4486 58.5248 -43.4486 -3.51517 GPRESSAVG: 3742000 78.3713 3.16884 57.5631 1.39729 -65.014 -42.589 59.3459 -42.8087 -4.52815 TIMING: 3742000 CPU: 11824.2, 0.00314775/step Wall: 11824.2, 0.00314775/step, 1.09996 hours remaining, 235.394531 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: 3742000 3983.2800 20454.0690 14483.9254 256.8359 -203119.8875 2533.9604 0.0000 0.0000 51679.1120 -109728.7048 297.0006 -161407.8168 -109373.6636 298.5315 -51.8558 -25.1753 763203.5458 2.9331 2.9430 PRESSURE: 3742200 0.798265 27.4833 52.5593 27.4835 448.655 -18.1348 52.5593 -18.1341 -75.4793 GPRESSURE: 3742200 101.312 -8.01866 -44.7133 -10.914 389.418 7.84069 10.1861 13.4141 -19.1149 PRESSAVG: 3742200 33.7609 -11.2049 13.7121 -11.205 -11.3676 -39.1521 13.7121 -39.1521 11.4513 GPRESSAVG: 3742200 34.8805 -12.145 13.8084 -11.3256 -13.1138 -40.2627 14.4622 -40.295 11.9978 TIMING: 3742200 CPU: 11824.8, 0.00316088/step Wall: 11824.8, 0.00316088/step, 1.10438 hours remaining, 235.394531 MB of memory in use. ENERGY: 3742200 3975.9169 20510.0944 14405.2031 237.5827 -204031.7733 3218.8025 0.0000 0.0000 51859.1556 -109825.0180 298.0353 -161684.1736 -109477.5493 297.7699 124.6579 157.2048 762300.5829 11.2815 11.2548 PRESSURE: 3742400 -4.07683 -177.49 37.7547 -177.49 89.8083 126.869 37.7553 126.87 483.003 GPRESSURE: 3742400 92.9525 -232.698 27.806 -129.408 68.6649 177.263 63.2471 131.793 501.198 PRESSAVG: 3742400 -59.5408 -23.0161 61.8409 -23.0161 25.0748 -19.0017 61.8409 -19.0018 -19.5122 GPRESSAVG: 3742400 -60.2626 -23.6066 60.8667 -24.3687 25.5194 -17.6133 59.5447 -18.3256 -19.46 TIMING: 3742400 CPU: 11825.4, 0.00317029/step Wall: 11825.4, 0.00317029/step, 1.10749 hours remaining, 235.394531 MB of memory in use. ENERGY: 3742400 4029.3213 20394.0321 14383.9315 252.5944 -203380.0795 2678.6035 0.0000 0.0000 52211.6182 -109429.9786 300.0609 -161641.5968 -109060.6161 298.3401 189.5780 220.9386 761876.2729 -17.9927 -18.0677 PRESSURE: 3742600 -27.8551 -44.4072 33.2567 -44.407 -493.642 365.556 33.2571 365.557 -32.573 GPRESSURE: 3742600 -94.8575 -21.2685 22.6729 -66.7759 -457.401 271.299 91.3474 360.661 72.5341 PRESSAVG: 3742600 57.8591 -17.784 -1.99859 -17.784 -81.9562 38.109 -1.99861 38.109 -2.34323 GPRESSAVG: 3742600 58.3332 -18.0995 -1.9398 -14.7107 -81.7609 37.3963 1.71329 37.0952 -3.16778 TIMING: 3742600 CPU: 11826.1, 0.00313425/step Wall: 11826.1, 0.00313425/step, 1.09472 hours remaining, 235.394531 MB of memory in use. ENERGY: 3742600 3974.9609 20527.8306 14476.4199 250.5535 -202830.8391 2208.3607 0.0000 0.0000 51806.2924 -109586.4211 297.7315 -161392.7135 -109232.5172 298.5744 -184.6901 -159.9082 762691.7547 -8.8135 -8.8651 PRESSURE: 3742800 152.895 -52.1517 140.441 -52.1516 -115.52 64.8382 140.441 64.8375 232.956 GPRESSURE: 3742800 61.4008 -28.0591 208.59 -20.5352 29.5084 32.9979 0.930568 16.5786 262.238 PRESSAVG: 3742800 13.403 15.3243 23.0737 15.3242 -25.912 0.271708 23.0737 0.27169 -14.043 GPRESSAVG: 3742800 12.9461 17.0048 22.9906 13.3331 -27.5334 0.345817 21.6381 -0.482834 -12.246 TIMING: 3742800 CPU: 11826.7, 0.00316626/step Wall: 11826.7, 0.00316626/step, 1.10573 hours remaining, 235.394531 MB of memory in use. ENERGY: 3742800 4019.4073 20519.5804 14415.5042 239.0815 -203328.1615 2799.9949 0.0000 0.0000 51931.1456 -109403.4475 298.4490 -161334.5931 -109051.6000 298.6450 90.1106 117.7156 761803.3410 -8.8506 -8.9444 PRESSURE: 3743000 -188.534 -70.7537 -132.424 -70.753 -270.841 61.2931 -132.424 61.2927 104.261 GPRESSURE: 3743000 -119.087 -50.908 -174.111 -32.4124 -200.828 -6.88122 -12.9641 183.944 76.7082 PRESSAVG: 3743000 -2.36598 1.2903 11.7729 1.29033 54.9189 -27.6353 11.7728 -27.6352 2.76179 GPRESSAVG: 3743000 -2.95483 0.110082 11.5447 0.625331 57.0588 -27.5329 12.462 -26.4874 1.91792 TIMING: 3743000 CPU: 11827.3, 0.00318509/step Wall: 11827.3, 0.00318509/step, 1.11213 hours remaining, 235.394531 MB of memory in use. ENERGY: 3743000 3938.9288 20652.1769 14459.8765 247.2692 -202886.3629 2359.4897 0.0000 0.0000 51921.6964 -109306.9254 298.3947 -161228.6219 -108949.8673 299.0537 -118.3714 -81.0689 760665.0394 18.4382 18.6740 PRESSURE: 3743200 38.7507 232.656 -113.377 232.656 17.9992 59.7401 -113.377 59.7401 452.6 GPRESSURE: 3743200 107.215 199.225 -147.933 239.271 33.202 6.67919 0.118677 209.354 441.587 PRESSAVG: 3743200 -5.67365 -4.60295 -5.99975 -4.60292 51.2095 24.9847 -5.99973 24.9846 5.06236 GPRESSAVG: 3743200 -4.01041 -5.12281 -6.42464 -3.70604 50.35 22.6897 -4.90571 24.2487 4.55477 TIMING: 3743200 CPU: 11828, 0.00316158/step Wall: 11828, 0.00316158/step, 1.10374 hours remaining, 235.394531 MB of memory in use. ENERGY: 3743200 4071.5396 20578.0379 14508.2353 235.6999 -203151.8065 2360.9478 0.0000 0.0000 51992.8125 -109404.5334 298.8034 -161397.3460 -109046.1215 299.6212 169.7834 194.0016 759899.7911 16.8661 16.9648 PRESSURE: 3743400 193.376 -40.684 -194.97 -40.6847 274.683 -88.6782 -194.969 -88.6781 364.197 GPRESSURE: 3743400 191.099 12.438 -105.565 52.388 254.892 -67.3496 -85.6766 23.5985 476.977 PRESSAVG: 3743400 1.59542 -3.73364 37.5772 -3.73364 -13.7443 25.9848 37.5772 25.9849 1.66241 GPRESSAVG: 3743400 0.267896 -3.83658 39.5818 -2.75897 -14.2278 27.1424 34.5576 24.5103 2.53331 TIMING: 3743400 CPU: 11828.6, 0.00317559/step Wall: 11828.6, 0.00317559/step, 1.10846 hours remaining, 235.394531 MB of memory in use. ENERGY: 3743400 4044.8727 20532.8316 14542.9496 253.7245 -203488.7723 2673.9465 0.0000 0.0000 52024.0134 -109416.4340 298.9827 -161440.4474 -109060.2370 299.0814 277.4188 307.6560 761884.0665 -3.4955 -3.8089 PRESSURE: 3743600 -244.316 8.50787 188.379 8.50706 -21.5313 -240.284 188.379 -240.285 -59.3771 GPRESSURE: 3743600 -159.657 69.955 176.525 -51.3001 -84.8655 -272.441 130.81 -237.169 11.611 PRESSAVG: 3743600 -12.1746 -58.8256 63.2802 -58.8256 -26.4659 45.251 63.2802 45.251 -25.2513 GPRESSAVG: 3743600 -12.5099 -57.0292 63.6887 -60.0145 -26.5106 45.6498 63.4848 46.1302 -25.0968 TIMING: 3743600 CPU: 11829.2, 0.00315299/step Wall: 11829.2, 0.00315299/step, 1.10039 hours remaining, 235.394531 MB of memory in use. ENERGY: 3743600 4051.0797 20413.9280 14500.4868 239.5121 -203464.5004 2693.3262 0.0000 0.0000 52037.4196 -109528.7481 299.0598 -161566.1677 -109167.8988 299.3491 -108.4081 -77.6371 760821.6405 -21.2972 -21.3724 PRESSURE: 3743800 127.37 -42.0659 -34.4345 -42.066 103.127 35.8469 -34.4355 35.8473 486.364 GPRESSURE: 3743800 150.473 -30.4926 -72.6804 10.8452 62.6014 3.30363 -142.853 84.7067 587.352 PRESSAVG: 3743800 35.9701 -29.1764 44.7072 -29.1764 2.91354 28.0782 44.7072 28.0782 9.25828 GPRESSAVG: 3743800 35.4921 -29.9453 43.4626 -28.1332 3.04049 27.7446 45.238 28.0161 9.42936 TIMING: 3743800 CPU: 11829.9, 0.00315958/step Wall: 11829.9, 0.00315958/step, 1.10252 hours remaining, 235.394531 MB of memory in use. ENERGY: 3743800 3941.8345 20535.7984 14433.5747 238.1048 -203751.7829 2850.2108 0.0000 0.0000 52315.4000 -109436.8597 300.6573 -161752.2596 -109073.7896 299.4831 238.9537 266.8088 761112.6525 16.0473 15.9873 PRESSURE: 3744000 -202.461 -93.8458 0.720612 -93.8459 -169.483 -146.086 0.720721 -146.086 51.377 GPRESSURE: 3744000 -147.849 -121.407 4.04383 -148.431 -162.199 -102.059 -6.89835 -87.2193 62.2681 PRESSAVG: 3744000 29.3107 -13.1168 28.1091 -13.1168 -38.9952 55.5144 28.1092 55.5143 -19.9673 GPRESSAVG: 3744000 31.172 -14.4427 28.2921 -14.0126 -40.4203 56.1839 29.4172 55.7529 -20.4607 TIMING: 3744000 CPU: 11830.5, 0.00316848/step Wall: 11830.5, 0.00316848/step, 1.10545 hours remaining, 235.394531 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: 3744000 3984.5864 20586.2650 14458.2303 272.2742 -203455.7322 2778.7862 0.0000 0.0000 51889.6194 -109485.9708 298.2104 -161375.5902 -109128.3757 299.1031 -106.8555 -82.5933 761802.3183 -9.8840 -9.9030 PRESSURE: 3744200 55.4252 -10.7126 180.771 -10.7125 -65.1658 88.7538 180.772 88.7532 -420.427 GPRESSURE: 3744200 72.5249 -81.527 73.9154 -107.321 -87.2412 -48.3401 158.228 75.3297 -341.958 PRESSAVG: 3744200 3.77527 7.33239 0.426963 7.33239 7.20761 -0.720041 0.42696 -0.72001 -22.3096 GPRESSAVG: 3744200 3.52366 6.02587 0.832949 9.96019 7.66374 -1.76662 -0.499097 -2.62147 -22.3193 TIMING: 3744200 CPU: 11831.1, 0.00315806/step Wall: 11831.1, 0.00315806/step, 1.10164 hours remaining, 235.394531 MB of memory in use. ENERGY: 3744200 4016.1118 20647.4487 14407.2970 232.5530 -203026.3100 2463.3692 0.0000 0.0000 51940.1508 -109319.3795 298.5008 -161259.5303 -108961.4697 299.4703 -143.3892 -118.8914 760720.2008 -3.7756 -3.7107 LDB: ============= START OF LOAD BALANCING ============== 11843.7 LDB: ============== END OF LOAD BALANCING =============== 11843.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11843.7 LDB: ============= START OF LOAD BALANCING ============== 11844 LDB: Largest compute 7057 load 0.033293 is 17.0% of average load 0.195613 LDB: Average compute 0.004378 is 2.2% of average load 0.195613 LDB: TIME 11844 LOAD: AVG 0.195613 MAX 0.212088 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.68 MB LDB: TIME 11844 LOAD: AVG 0.195613 MAX 0.212088 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.938 MB LDB: TIME 11844 LOAD: AVG 0.195613 MAX 0.212088 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.938 MB LDB: ============== END OF LOAD BALANCING =============== 11844 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11844 PRESSURE: 3744400 -410.29 326.622 -24.4983 326.622 -191.81 63.3864 -24.4988 63.3859 -388.725 GPRESSURE: 3744400 -384.644 220.154 51.6462 270.749 -254.171 99.9745 -37.1511 26.7811 -252.807 PRESSAVG: 3744400 -10.545 -22.9066 -6.23577 -22.9065 -12.6925 11.6683 -6.23577 11.6682 -0.330631 GPRESSAVG: 3744400 -10.6143 -21.13 -5.96681 -26.587 -12.0283 11.5312 -6.67473 13.5225 0.209729 TIMING: 3744400 CPU: 11831.8, 0.00324892/step Wall: 11831.8, 0.00324892/step, 1.13315 hours remaining, 236.988281 MB of memory in use. ENERGY: 3744400 4111.4356 20405.1291 14444.7507 244.8374 -203008.8100 2080.9434 0.0000 0.0000 52139.1199 -109582.5939 299.6442 -161721.7138 -109220.2494 299.4543 -330.2750 -297.2072 760424.5396 -7.8561 -7.4776 PRESSURE: 3744600 479.384 -267.885 -35.3461 -267.885 41.8302 -472.985 -35.3467 -472.985 496.173 GPRESSURE: 3744600 479.856 -246.276 -8.2718 -164.791 169.97 -396.072 -5.57479 -303.251 462.634 PRESSAVG: 3744600 24.3064 32.1826 44.7429 32.1825 -11.5775 21.6305 44.7429 21.6305 6.98039 GPRESSAVG: 3744600 24.1546 31.2552 44.4872 35.2201 -11.6609 23.3928 44.5822 23.8062 6.88422 TIMING: 3744600 CPU: 11832.4, 0.00317438/step Wall: 11832.4, 0.00317438/step, 1.10698 hours remaining, 237.058594 MB of memory in use. ENERGY: 3744600 3947.3511 20458.1644 14504.8660 238.3040 -203832.1161 2775.7340 0.0000 0.0000 52358.7941 -109548.9024 300.9067 -161907.6965 -109189.7609 299.2504 339.1290 370.8199 758027.1702 6.5698 6.4593 PRESSURE: 3744800 127.361 -141.582 29.079 -141.582 -118.859 83.6954 29.0792 83.695 387.085 GPRESSURE: 3744800 167.079 -210.709 -48.3924 -45.079 -66.3945 80.8743 145.264 -28.9096 361.014 PRESSAVG: 3744800 21.6224 8.77842 13.9905 8.77843 7.42228 10.685 13.9905 10.6851 -9.46366 GPRESSAVG: 3744800 22.9139 9.24136 14.3503 8.46937 6.20267 10.0233 13.3659 9.35568 -10.4025 TIMING: 3744800 CPU: 11833.1, 0.00317782/step Wall: 11833.1, 0.00317782/step, 1.108 hours remaining, 237.058594 MB of memory in use. ENERGY: 3744800 3984.0777 20577.2062 14457.4740 242.0728 -203294.4134 2460.7806 0.0000 0.0000 51950.3668 -109622.4354 298.5595 -161572.8022 -109267.6779 299.7929 131.8627 153.8992 760235.8988 6.5270 6.2380 PRESSURE: 3745000 -81.6744 -155.738 6.95122 -155.737 97.1623 87.9451 6.951 87.9449 -56.8163 GPRESSURE: 3745000 -133.315 -134.904 90.1058 -158.301 154.943 47.5513 -69.6579 185.068 6.65952 PRESSAVG: 3745000 -13.9675 -54.5561 13.8895 -54.5561 48.4527 62.378 13.8895 62.378 -4.24618 GPRESSAVG: 3745000 -14.3253 -52.5839 12.7276 -57.2684 49.0078 60.9697 16.2873 64.5267 -4.2801 TIMING: 3745000 CPU: 11833.7, 0.00314378/step Wall: 11833.7, 0.00314378/step, 1.09596 hours remaining, 237.058594 MB of memory in use. ENERGY: 3745000 3970.8383 20366.1692 14388.2706 242.4991 -203310.6120 2452.7045 0.0000 0.0000 52385.9198 -109504.2105 301.0626 -161890.1303 -109135.8860 299.1590 -13.7761 9.4291 760596.5441 10.0797 10.1341 PRESSURE: 3745200 122.926 -137.097 -125.438 -137.096 -89.094 135.247 -125.438 135.246 151.042 GPRESSURE: 3745200 191.741 -98.5933 -78.4567 -129.091 -41.4371 116.991 -206.801 87.9562 153.986 PRESSAVG: 3745200 -7.87451 -0.694563 1.85868 -0.694511 8.68925 37.3718 1.85875 37.3717 7.28082 GPRESSAVG: 3745200 -7.84069 -1.81982 3.07875 1.47761 9.32485 38.7237 0.737359 35.8417 7.08082 TIMING: 3745200 CPU: 11834.3, 0.00316736/step Wall: 11834.3, 0.00316736/step, 1.104 hours remaining, 237.058594 MB of memory in use. ENERGY: 3745200 4044.1323 20562.8469 14397.0566 268.6738 -203162.6779 2426.7493 0.0000 0.0000 52024.4427 -109438.7764 298.9852 -161463.2190 -109072.9411 299.6495 61.6246 101.4301 760234.0125 2.6985 2.8550 PRESSURE: 3745400 -219.055 5.09218 -84.1736 5.09241 -485.706 72.2662 -84.1735 72.2666 -44.0089 GPRESSURE: 3745400 -196.306 28.761 -81.9856 94.4414 -399.496 74.3256 54.1254 161.054 -69.8537 PRESSAVG: 3745400 39.2081 18.9356 -17.5368 18.9356 26.3599 50.5182 -17.5369 50.5182 -9.76629 GPRESSAVG: 3745400 39.5807 18.1596 -16.855 17.1948 26.3634 49.8072 -16.7338 49.8136 -9.67231 TIMING: 3745400 CPU: 11834.9, 0.00316727/step Wall: 11834.9, 0.00316727/step, 1.10379 hours remaining, 237.058594 MB of memory in use. ENERGY: 3745400 4043.6092 20637.0459 14409.5391 246.0094 -202763.9510 2316.6772 0.0000 0.0000 51786.8780 -109324.1923 297.6199 -161111.0703 -108967.4706 299.3332 -249.5900 -221.8852 761832.1210 18.6006 18.7573 PRESSURE: 3745600 158.053 69.3564 139.923 69.3562 -45.61 -11.6767 139.923 -11.677 -223.2 GPRESSURE: 3745600 243.932 53.5012 117.958 92.336 -93.429 -17.263 198.427 37.6644 -193.453 PRESSAVG: 3745600 -20.1408 20.195 -15.1467 20.195 -0.0132938 51.3289 -15.1467 51.3289 -0.0756055 GPRESSAVG: 3745600 -20.1506 19.9474 -17.0507 21.1541 1.01519 52.242 -14.758 49.9844 -1.04807 TIMING: 3745600 CPU: 11835.6, 0.00318325/step Wall: 11835.6, 0.00318325/step, 1.10918 hours remaining, 237.058594 MB of memory in use. ENERGY: 3745600 3959.7218 20704.6215 14455.4094 248.8429 -203464.6422 2710.7183 0.0000 0.0000 52198.3669 -109186.9613 299.9847 -161385.3283 -108833.6223 299.6053 -36.9187 -14.3166 760024.2958 -6.7432 -6.7278 PRESSURE: 3745800 -63.7615 -78.6185 -209.833 -78.6176 222.428 -105.721 -209.833 -105.721 423.417 GPRESSURE: 3745800 26.5849 -79.6774 -119.506 -117.124 297.136 -114.534 -255.568 -102.042 345.109 PRESSAVG: 3745800 67.8399 -29.6645 -28.9649 -29.6645 -7.44094 25.672 -28.9649 25.672 18.5997 GPRESSAVG: 3745800 67.7548 -30.3767 -27.8535 -28.8374 -9.872 24.7347 -31.9248 27.5064 20.4862 TIMING: 3745800 CPU: 11836.2, 0.00316938/step Wall: 11836.2, 0.00316938/step, 1.10418 hours remaining, 237.058594 MB of memory in use. ENERGY: 3745800 3974.5302 20497.6348 14487.0714 240.3345 -203126.2230 2494.3582 0.0000 0.0000 52055.1195 -109377.1744 299.1615 -161432.2938 -109015.6821 300.0128 194.0279 222.9435 760585.5021 26.3329 26.1230 PRESSURE: 3746000 1.06383 46.2911 16.4351 46.2902 104.389 9.79087 16.4348 9.79081 -208.728 GPRESSURE: 3746000 18.2521 110.525 -39.9059 92.7436 174.31 -17.8517 137.787 -30.8892 -202.671 PRESSAVG: 3746000 27.726 -78.4392 44.6129 -78.4391 24.5005 -27.1317 44.6129 -27.1317 -3.52958 GPRESSAVG: 3746000 28.0628 -77.9932 44.6903 -80.1271 25.2686 -26.6872 43.9994 -29.9346 -4.32039 TIMING: 3746000 CPU: 11836.9, 0.00319762/step Wall: 11836.9, 0.00319762/step, 1.11384 hours remaining, 237.058594 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: 3746000 3963.5071 20500.7417 14387.2045 239.9333 -203364.5057 2515.3267 0.0000 0.0000 52390.1084 -109367.6840 301.0867 -161757.7924 -108992.6496 299.6610 -34.4250 -3.3696 760732.3673 16.2323 16.3370 PRESSURE: 3746200 342.827 108.553 -67.1181 108.552 153.79 122.863 -67.1176 122.863 209.671 GPRESSURE: 3746200 420.298 39.3672 -118.432 204.67 137.097 158.313 -86.5448 127.431 249.722 PRESSAVG: 3746200 -20.2559 -34.5478 21.5193 -34.5478 45.1222 -28.1143 21.5193 -28.1144 -12.5466 GPRESSAVG: 3746200 -19.7032 -32.7057 21.1716 -36.2085 45.2536 -28.109 21.7133 -26.1997 -12.5918 TIMING: 3746200 CPU: 11837.5, 0.00318421/step Wall: 11837.5, 0.00318421/step, 1.10899 hours remaining, 237.058594 MB of memory in use. ENERGY: 3746200 3990.3926 20484.0414 14401.2805 230.9601 -203521.3298 2887.4445 0.0000 0.0000 52325.8989 -109201.3118 300.7177 -161527.2107 -108843.4613 299.0564 235.4297 269.0389 760658.2062 4.1065 4.3196 PRESSURE: 3746400 -310.829 -75.3355 -45.2181 -75.3352 -27.5047 281.157 -45.2183 281.156 -96.4139 GPRESSURE: 3746400 -343.273 -139.954 -92.7335 -39.0759 80.0344 320.868 83.2926 116.986 -76.5862 PRESSAVG: 3746400 -58.9055 -23.6088 -21.8514 -23.6087 43.4475 -6.82957 -21.8513 -6.82968 -5.07504 GPRESSAVG: 3746400 -59.5305 -24.5714 -21.1747 -23.4748 43.0968 -6.17729 -20.8376 -6.42226 -4.35421 TIMING: 3746400 CPU: 11838.1, 0.00317497/step Wall: 11838.1, 0.00317497/step, 1.1056 hours remaining, 237.058594 MB of memory in use. ENERGY: 3746400 3957.4145 20627.0724 14562.6998 236.0543 -203146.6340 2258.2186 0.0000 0.0000 52154.9340 -109350.2405 299.7351 -161505.1745 -108991.9709 299.7657 -144.9158 -113.2750 760206.0287 -6.8444 -6.9293 PRESSURE: 3746600 49.3177 -48.8265 110.979 -48.8272 85.8133 -243.502 110.979 -243.501 234.473 GPRESSURE: 3746600 135.643 -17.1016 91.1979 -32.9828 15.5136 -261.788 167.657 -65.282 277.509 PRESSAVG: 3746600 -40.1231 -90.6789 4.05055 -90.6789 57.6106 -39.2539 4.05059 -39.2541 -13.0053 GPRESSAVG: 3746600 -41.0934 -89.2534 4.58183 -89.5506 58.8252 -39.5417 6.48418 -39.6136 -13.287 TIMING: 3746600 CPU: 11838.8, 0.00317371/step Wall: 11838.8, 0.00317371/step, 1.10498 hours remaining, 237.058594 MB of memory in use. ENERGY: 3746600 3971.4435 20595.6031 14403.6207 232.1826 -203106.9822 2738.5654 0.0000 0.0000 52042.6382 -109122.9288 299.0898 -161165.5669 -108768.4785 299.3552 123.2015 142.8887 760259.2348 1.4940 1.4816 PRESSURE: 3746800 -97.7383 -51.9161 111.723 -51.9156 79.8922 186.542 111.723 186.542 -15.2148 GPRESSURE: 3746800 32.1345 84.5174 82.1521 -18.6171 52.8587 96.1245 123.706 214.258 -22.5378 PRESSAVG: 3746800 -3.02809 2.76779 4.15645 2.76786 27.3491 -22.0306 4.15647 -22.0305 -8.88216 GPRESSAVG: 3746800 -3.09337 1.89369 4.69311 2.63238 26.6869 -22.7663 1.14919 -22.4878 -8.31033 TIMING: 3746800 CPU: 11839.4, 0.00318261/step Wall: 11839.4, 0.00318261/step, 1.1079 hours remaining, 237.058594 MB of memory in use. ENERGY: 3746800 3921.1042 20543.2803 14539.9226 253.1130 -202967.9585 2444.6930 0.0000 0.0000 52123.6116 -109142.2338 299.5551 -161265.8454 -108780.1636 299.5737 -11.0203 20.8185 761709.4901 5.1463 5.0944 PRESSURE: 3747000 -243.562 83.5335 -64.6426 83.5344 -0.803202 80.891 -64.6428 80.8909 38.4597 GPRESSURE: 3747000 -167.384 78.5584 -17.9306 39.833 30.4079 86.6603 -111.669 153.502 5.36891 PRESSAVG: 3747000 -25.8167 -6.97097 -3.64621 -6.97092 20.0631 -4.05796 -3.64616 -4.05806 4.73231 GPRESSAVG: 3747000 -25.8757 -9.37624 -5.36264 -7.32952 20.1073 -2.13151 -3.12733 -3.1704 3.82617 TIMING: 3747000 CPU: 11840, 0.00318735/step Wall: 11840, 0.00318735/step, 1.10937 hours remaining, 237.058594 MB of memory in use. ENERGY: 3747000 3999.8613 20647.0021 14516.6542 236.9584 -203105.2330 2447.6951 0.0000 0.0000 52162.6413 -109094.4205 299.7794 -161257.0618 -108730.8079 299.8687 -68.6353 -43.8692 762201.5365 -0.3404 -0.6474 PRESSURE: 3747200 -261.952 11.0139 309.845 11.0134 -573.142 -208.343 309.845 -208.344 -61.2563 GPRESSURE: 3747200 -253.791 59.9022 265.775 11.4829 -495.115 -266.836 326.026 -78.4522 -82.9788 PRESSAVG: 3747200 32.4501 -26.8433 -18.07 -26.8432 7.16662 -48.8589 -18.07 -48.8589 -1.18229 GPRESSAVG: 3747200 31.9903 -24.7371 -19.1603 -24.6301 6.62851 -48.7294 -17.7135 -49.4499 -0.254626 TIMING: 3747200 CPU: 11840.7, 0.00319101/step Wall: 11840.7, 0.00319101/step, 1.11047 hours remaining, 237.058594 MB of memory in use. ENERGY: 3747200 4005.3931 20571.0966 14460.6438 236.3349 -203071.4691 2397.3996 0.0000 0.0000 52193.8983 -109206.7028 299.9591 -161400.6011 -108834.0437 299.9667 -298.7836 -277.2949 762660.9680 12.8115 12.7881 PRESSURE: 3747400 -55.577 -188.876 -236.17 -188.876 103.103 79.796 -236.17 79.7962 -384.336 GPRESSURE: 3747400 -44.7701 -194.204 -189.804 -171.011 94.9414 0.526617 -267.147 -0.943158 -295.772 PRESSAVG: 3747400 -7.42327 -10.7521 -35.5616 -10.752 13.237 3.3212 -35.5616 3.3212 3.55514 GPRESSAVG: 3747400 -7.9895 -10.1243 -33.9054 -11.8878 13.1776 2.35876 -34.6469 4.51975 3.85984 TIMING: 3747400 CPU: 11841.3, 0.00316509/step Wall: 11841.3, 0.00316508/step, 1.10127 hours remaining, 237.058594 MB of memory in use. ENERGY: 3747400 3911.4216 20497.3415 14450.9706 237.9175 -203165.4142 2492.6876 0.0000 0.0000 52371.7859 -109203.2896 300.9814 -161575.0755 -108836.1838 300.3452 -112.2700 -81.8669 762017.2701 3.1229 3.0160 PRESSURE: 3747600 -89.1078 -92.9678 118.226 -92.9668 31.5736 -87.2598 118.226 -87.2591 -342.339 GPRESSURE: 3747600 -58.6968 -130.036 139.105 -30.7795 72.533 -69.8691 179.703 -19.4672 -335.366 PRESSAVG: 3747600 -61.3851 -24.682 9.92985 -24.682 53.9772 16.3531 9.92984 16.353 -3.49155 GPRESSAVG: 3747600 -62.0467 -28.0392 9.72774 -24.5442 54.1181 15.5687 8.54084 15.5043 -2.87809 TIMING: 3747600 CPU: 11841.9, 0.00316634/step Wall: 11841.9, 0.00316634/step, 1.10153 hours remaining, 237.058594 MB of memory in use. ENERGY: 3747600 3987.1247 20625.2446 14451.3513 231.9726 -202818.3564 2085.4495 0.0000 0.0000 52052.5689 -109384.6449 299.1468 -161437.2138 -109021.1776 299.5094 -133.2911 -107.1766 759477.4490 -3.6331 -3.6022 PRESSURE: 3747800 23.9055 -37.3593 51.8579 -37.3603 -36.6864 -198.944 51.8578 -198.944 -8.50311 GPRESSURE: 3747800 -32.7878 -70.9638 24.9568 -161.509 84.7239 -173.383 154.821 -194.208 -7.65791 PRESSAVG: 3747800 2.84728 -23.4731 -16.0003 -23.4732 10.0684 -29.9846 -16.0003 -29.9847 -7.59089 GPRESSAVG: 3747800 3.44222 -20.6616 -16.7711 -24.6577 10.0912 -29.9555 -13.534 -28.5079 -7.93006 TIMING: 3747800 CPU: 11842.6, 0.00315996/step Wall: 11842.6, 0.00315996/step, 1.09914 hours remaining, 237.058594 MB of memory in use. ENERGY: 3747800 3938.7315 20456.9906 14438.4713 261.6213 -203484.9620 2752.5805 0.0000 0.0000 52216.7331 -109419.8337 300.0903 -161636.5668 -109052.7839 299.3027 -7.0947 14.7594 761019.8400 1.7749 1.8678 PRESSURE: 3748000 -56.9325 -99.8021 -12.1978 -99.8012 -80.372 -74.1368 -12.1985 -74.1361 -295.227 GPRESSURE: 3748000 -85.4806 -132.486 57.8691 -93.4417 43.5033 -59.2577 -35.9802 60.8375 -286.133 PRESSAVG: 3748000 -72.8936 -35.7901 7.72457 -35.7902 27.5795 -33.1813 7.72451 -33.1813 -3.22705 GPRESSAVG: 3748000 -72.9452 -33.5249 10.1773 -36.2902 28.2696 -32.7811 5.08862 -33.5221 -4.09902 TIMING: 3748000 CPU: 11843.2, 0.00316778/step Wall: 11843.2, 0.00316778/step, 1.10168 hours remaining, 237.058594 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: 3748000 4051.6455 20389.1592 14474.3606 224.2712 -203477.5550 2643.1133 0.0000 0.0000 52210.0210 -109484.9843 300.0517 -161695.0053 -109135.3015 298.6011 -144.1773 -109.3700 760459.8764 -16.1804 -16.2582 PRESSURE: 3748200 -197.158 -174.702 -25.4208 -174.702 -387.997 -21.4883 -25.4211 -21.4892 -14.7264 GPRESSURE: 3748200 -162.469 -155.383 -103.251 32.8213 -360.546 -77.4984 -134.989 79.3534 -33.7994 PRESSAVG: 3748200 -7.05455 -63.9727 -8.59754 -63.9726 7.98284 24.5274 -8.59754 24.5275 -7.33275 GPRESSAVG: 3748200 -6.44117 -66.9664 -11.1824 -61.8695 7.01737 23.9554 -7.39303 24.2293 -7.00634 TIMING: 3748200 CPU: 11843.8, 0.00317823/step Wall: 11843.8, 0.00317823/step, 1.10514 hours remaining, 237.058594 MB of memory in use. ENERGY: 3748200 4076.9778 20534.4329 14423.8388 246.6586 -203129.4875 2344.0697 0.0000 0.0000 52076.4865 -109427.0232 299.2843 -161503.5097 -109053.3236 299.0487 -199.9606 -185.6051 763836.3386 -2.1348 -2.1434 LDB: ============= START OF LOAD BALANCING ============== 11856.4 LDB: ============== END OF LOAD BALANCING =============== 11856.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11856.4 LDB: ============= START OF LOAD BALANCING ============== 11856.7 LDB: Largest compute 7067 load 0.033340 is 17.0% of average load 0.195627 LDB: Average compute 0.004358 is 2.2% of average load 0.195627 LDB: TIME 11856.7 LOAD: AVG 0.195627 MAX 0.21067 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.281 MB LDB: TIME 11856.7 LOAD: AVG 0.195627 MAX 0.21067 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: TIME 11856.7 LOAD: AVG 0.195627 MAX 0.21067 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.488 MB LDB: ============== END OF LOAD BALANCING =============== 11856.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11856.7 PRESSURE: 3748400 -102.829 123.559 -47.9738 123.559 114.736 170.972 -47.9734 170.972 -375.514 GPRESSURE: 3748400 -90.0763 10.1702 -51.8895 172.147 160.734 222.26 -117.668 12.7979 -344.989 PRESSAVG: 3748400 -55.3622 -23.1858 -9.7705 -23.1859 16.9104 -66.5443 -9.77051 -66.5444 -2.88715 GPRESSAVG: 3748400 -55.3341 -24.4633 -9.80046 -25.0388 17.0185 -64.7666 -9.69311 -67.0355 -3.03744 TIMING: 3748400 CPU: 11844.5, 0.00325492/step Wall: 11844.5, 0.00325492/step, 1.13163 hours remaining, 236.417969 MB of memory in use. ENERGY: 3748400 4059.9834 20426.1483 14487.8021 256.3686 -203582.3868 2807.0294 0.0000 0.0000 52062.5864 -109482.4686 299.2044 -161545.0550 -109120.3974 298.9786 -121.2021 -91.4438 761868.4513 -13.7796 -13.7844 PRESSURE: 3748600 -292.24 -146.994 105.557 -146.994 -482.475 142.853 105.557 142.853 -112.778 GPRESSURE: 3748600 -238.581 -101.708 176.132 -219.61 -496.835 178.429 210.992 83.0171 -69.23 PRESSAVG: 3748600 -16.7655 -88.4726 22.1528 -88.4727 33.4407 0.911668 22.1528 0.911715 -0.25285 GPRESSAVG: 3748600 -16.6996 -87.5641 22.935 -87.1159 32.874 0.737707 20.6086 1.33493 0.672339 TIMING: 3748600 CPU: 11845.1, 0.00319665/step Wall: 11845.1, 0.00319665/step, 1.11119 hours remaining, 236.675781 MB of memory in use. ENERGY: 3748600 4007.1809 20459.2313 14468.1245 257.3583 -203083.3272 2507.2265 0.0000 0.0000 51903.8962 -109480.3095 298.2924 -161384.2057 -109116.0404 299.2498 -295.8308 -268.2153 763706.3279 5.4741 5.6156 PRESSURE: 3748800 139.824 167.641 305.701 167.642 244.607 106.077 305.702 106.077 -68.7943 GPRESSURE: 3748800 100.011 -5.23691 356.792 144.94 370.607 74.837 208.665 82.2406 -43.0271 PRESSAVG: 3748800 -10.6503 15.8067 41.9859 15.8068 12.3891 22.4273 41.9859 22.4271 0.957046 GPRESSAVG: 3748800 -10.7428 15.6188 41.3944 15.1082 13.3648 20.6817 43.3741 22.9181 0.034575 TIMING: 3748800 CPU: 11845.8, 0.00319678/step Wall: 11845.8, 0.00319678/step, 1.11106 hours remaining, 236.933594 MB of memory in use. ENERGY: 3748800 4048.5754 20408.9441 14372.9976 232.5744 -203634.9420 3228.3191 0.0000 0.0000 52081.5255 -109262.0059 299.3132 -161343.5313 -108907.6125 298.6871 105.2123 142.5303 762028.0080 0.8986 0.8855 PRESSURE: 3749000 -103.772 238.527 60.0338 238.527 -68.2643 156.789 60.0345 156.789 -10.1104 GPRESSURE: 3749000 -104.107 173.377 16.5122 114.772 24.3376 113.907 90.4343 108.686 6.32806 PRESSAVG: 3749000 27.8859 -27.9138 16.097 -27.9137 6.00034 15.7965 16.0971 15.7965 40.0732 GPRESSAVG: 3749000 27.6875 -28.0653 15.8412 -26.9716 6.48407 17.2679 15.7009 13.2557 39.5577 TIMING: 3749000 CPU: 11846.4, 0.00318716/step Wall: 11846.4, 0.00318716/step, 1.10754 hours remaining, 236.917969 MB of memory in use. ENERGY: 3749000 3962.1936 20473.5184 14410.4365 235.8236 -203060.5273 2603.8494 0.0000 0.0000 51929.8928 -109444.8130 298.4418 -161374.7058 -109085.9901 299.2052 -60.7155 -24.4806 762074.1938 24.6532 24.5764 PRESSURE: 3749200 -109.968 -107.547 -359.75 -107.547 284.92 -88.5091 -359.749 -88.5089 206.892 GPRESSURE: 3749200 -62.3997 -68.6622 -359.178 -55.8289 256.606 -64.3368 -192.726 -129.568 266.503 PRESSAVG: 3749200 -55.3147 -33.8985 10.5223 -33.8985 49.5395 26.0535 10.5223 26.0535 8.22761 GPRESSAVG: 3749200 -56.2456 -33.1218 11.6703 -37.4053 49.0091 25.1025 10.2979 27.678 9.36129 TIMING: 3749200 CPU: 11847.1, 0.00319146/step Wall: 11847.1, 0.00319146/step, 1.10886 hours remaining, 237.136719 MB of memory in use. ENERGY: 3749200 3967.1161 20383.1693 14547.8781 236.2977 -203356.8273 2728.5802 0.0000 0.0000 52077.0567 -109416.7292 299.2876 -161493.7859 -109054.0059 299.1154 127.2816 153.5699 761576.4900 0.8175 0.7083 PRESSURE: 3749400 -99.7158 -109.906 -98.2689 -109.904 -341.249 -60.2444 -98.2684 -60.2443 2.81223 GPRESSURE: 3749400 -94.3418 -62.4962 -88.7196 16.3208 -251.043 23.6043 -97.9594 -112.89 -19.9391 PRESSAVG: 3749400 -9.90156 -50.711 9.43604 -50.7111 0.0667052 -30.1972 9.43606 -30.1971 5.00869 GPRESSAVG: 3749400 -8.94901 -49.6147 10.1585 -48.8244 -0.465108 -29.0666 10.6957 -32.0595 5.26753 TIMING: 3749400 CPU: 11847.7, 0.00317904/step Wall: 11847.7, 0.00317904/step, 1.10436 hours remaining, 237.136719 MB of memory in use. ENERGY: 3749400 3969.9441 20784.2324 14470.4558 245.4961 -203236.9800 2556.0193 0.0000 0.0000 51867.1385 -109343.6937 298.0812 -161210.8323 -108987.3975 299.0820 -146.0509 -121.7748 762453.4075 -1.6087 -1.3822 PRESSURE: 3749600 -54.2375 -223.185 142.575 -223.185 23.8285 -31.0226 142.576 -31.0224 184.951 GPRESSURE: 3749600 -34.3973 -150.615 158.353 -143.718 92.971 -37.7918 94.8672 41.6147 176.769 PRESSAVG: 3749600 -8.79288 -37.9172 65.6932 -37.9171 -0.0123317 16.4898 65.6932 16.4897 -1.98512 GPRESSAVG: 3749600 -9.39921 -39.2285 65.6564 -38.4287 0.823339 15.8332 63.2888 17.3649 -2.38443 TIMING: 3749600 CPU: 11848.3, 0.00316626/step Wall: 11848.3, 0.00316626/step, 1.09975 hours remaining, 237.136719 MB of memory in use. ENERGY: 3749600 4000.1985 20568.5016 14418.6165 271.5811 -203136.4607 2568.3443 0.0000 0.0000 52014.5205 -109294.6982 298.9282 -161309.2188 -108938.5656 299.2000 51.5141 78.4477 761279.6717 -3.5968 -3.6534 PRESSURE: 3749800 -11.0423 -110.917 27.4989 -110.917 316.784 125.731 27.4992 125.732 -4.5148 GPRESSURE: 3749800 -26.6272 -130.268 39.7704 -184.39 341.145 126.372 102.511 100.346 90.6003 PRESSAVG: 3749800 21.3203 -7.89077 25.7474 -7.89079 36.1917 29.4239 25.7473 29.4239 -11.2617 GPRESSAVG: 3749800 20.869 -8.56285 24.02 -6.55866 35.3502 29.444 26.845 29.3986 -9.36363 TIMING: 3749800 CPU: 11849, 0.00316635/step Wall: 11849, 0.00316635/step, 1.0996 hours remaining, 237.136719 MB of memory in use. ENERGY: 3749800 3938.7886 20501.5707 14470.2151 260.2779 -202719.0444 2309.7458 0.0000 0.0000 52206.2599 -109032.1864 300.0301 -161238.4463 -108668.9569 299.5944 100.4090 135.0392 761310.0088 15.4168 15.6185 PRESSURE: 3750000 -141.59 -148.425 -38.6757 -148.425 -15.9964 -27.5621 -38.6767 -27.5614 -3.23166 GPRESSURE: 3750000 -144.572 -170.802 61.5002 -167.307 108.27 27.0573 60.2023 -4.24706 -32.9606 PRESSAVG: 3750000 -60.7321 4.78714 26.2754 4.78716 78.539 38.7811 26.2754 38.7812 -0.384892 GPRESSAVG: 3750000 -59.0319 4.67404 27.159 4.39846 78.9355 37.3993 24.8951 39.9306 -2.06295 TIMING: 3750000 CPU: 11849.6, 0.00319556/step Wall: 11849.6, 0.00319556/step, 1.10957 hours remaining, 237.136719 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: 3750000 4006.4190 20533.8256 14492.6798 244.3497 -203494.0831 2778.1257 0.0000 0.0000 52075.9506 -109362.7326 299.2812 -161438.6832 -109014.4551 299.6985 -53.6061 -23.0874 761924.8519 5.8073 5.9469 PRESSURE: 3750200 187.902 61.3773 281.15 61.3766 168.278 175.882 281.15 175.883 251.954 GPRESSURE: 3750200 317.897 17.2836 340.194 -16.1731 162.001 122.759 273.446 181.789 217.106 PRESSAVG: 3750200 -18.823 29.7582 47.5451 29.7581 23.0276 -2.71789 47.545 -2.71784 20.4381 GPRESSAVG: 3750200 -17.8657 30.4514 50.0702 27.5602 22.8274 -0.663087 47.7378 -2.66713 19.4451 TIMING: 3750200 CPU: 11850.2, 0.00320311/step Wall: 11850.2, 0.00320311/step, 1.11201 hours remaining, 237.136719 MB of memory in use. ENERGY: 3750200 3958.1234 20389.2768 14473.4147 252.4297 -203277.9432 2918.8453 0.0000 0.0000 51858.1315 -109427.7220 298.0294 -161285.8534 -109065.0052 298.7931 202.7113 232.3351 760534.2638 8.2143 8.1356 PRESSURE: 3750400 103.585 -63.5816 303.129 -63.5818 355.994 -9.72599 303.129 -9.7252 302.836 GPRESSURE: 3750400 77.8089 -52.2231 400.96 -81.4463 429.33 -9.86448 127.026 -160.328 348.705 PRESSAVG: 3750400 1.98892 -11.5494 33.8136 -11.5495 20.7181 8.57809 33.8136 8.57806 -34.1372 GPRESSAVG: 3750400 0.649933 -11.4509 30.3813 -9.61949 21.8338 9.18706 32.7553 7.3075 -33.0865 TIMING: 3750400 CPU: 11850.9, 0.00318447/step Wall: 11850.9, 0.00318448/step, 1.10537 hours remaining, 237.136719 MB of memory in use. ENERGY: 3750400 3952.0460 20714.0030 14481.7230 247.3766 -203636.4542 2935.1370 0.0000 0.0000 51816.7047 -109489.4639 297.7913 -161306.1686 -109129.3730 298.6674 254.1387 285.2814 761889.3138 -3.8100 -3.5343 PRESSURE: 3750600 21.1689 -112.474 -51.9306 -112.475 153.898 -109.861 -51.9309 -109.86 -301.197 GPRESSURE: 3750600 96.602 -79.9452 -36.4114 -101.622 83.1915 -89.4813 47.1134 -33.5657 -218.912 PRESSAVG: 3750600 -36.1823 -25.4876 12.1159 -25.4877 26.1678 44.9025 12.1159 44.9025 9.52516 GPRESSAVG: 3750600 -35.971 -24.8392 12.5197 -26.2612 24.7731 44.2733 15.2032 45.1176 10.181 TIMING: 3750600 CPU: 11851.5, 0.00315632/step Wall: 11851.5, 0.00315632/step, 1.09542 hours remaining, 237.136719 MB of memory in use. ENERGY: 3750600 4047.6888 20458.2364 14414.2400 254.5890 -203506.7403 2672.2976 0.0000 0.0000 52024.7104 -109634.9781 298.9867 -161659.6885 -109280.5708 298.9942 -42.0435 -13.0395 761604.8566 -0.1631 -0.3390 PRESSURE: 3750800 -376.438 100.799 75.2328 100.798 -258.45 68.1686 75.2333 68.1687 -180.974 GPRESSURE: 3750800 -434.174 131.403 55.1179 111.944 -133.378 27.4764 121.418 72.2158 -160.927 PRESSAVG: 3750800 -23.3736 26.2827 41.7714 26.2828 16.9412 52.7223 41.7713 52.7223 4.42567 GPRESSAVG: 3750800 -22.5313 25.9913 40.3086 26.8995 18.9922 51.2997 40.5023 54.1241 1.66451 TIMING: 3750800 CPU: 11852.1, 0.00316407/step Wall: 11852.1, 0.00316407/step, 1.09793 hours remaining, 237.152344 MB of memory in use. ENERGY: 3750800 4037.8154 20371.1135 14458.2058 245.6631 -203601.6542 2581.2073 0.0000 0.0000 52137.9034 -109769.7456 299.6372 -161907.6490 -109402.0218 298.3938 -271.9537 -242.8263 762266.1846 -0.6689 -0.6249 PRESSURE: 3751000 -31.5247 384.971 -91.7777 384.972 194.062 -173.871 -91.7774 -173.872 -329.905 GPRESSURE: 3751000 68.2866 386.423 -76.9239 399.434 154.225 -240.068 -64.4733 -185.123 -311.314 PRESSAVG: 3751000 -45.4597 -11.779 -10.8813 -11.779 69.8818 -56.6657 -10.8812 -56.6656 11.4626 GPRESSAVG: 3751000 -45.243 -12.7634 -9.66492 -11.6015 68.1006 -55.353 -10.7205 -57.5727 12.8165 TIMING: 3751000 CPU: 11852.8, 0.00318677/step Wall: 11852.8, 0.00318677/step, 1.10563 hours remaining, 237.152344 MB of memory in use. ENERGY: 3751000 3958.4234 20517.7418 14455.4745 236.9336 -203754.5481 2863.0335 0.0000 0.0000 51905.1412 -109817.8000 298.2996 -161722.9413 -109458.1029 298.2727 -55.7890 -29.6008 760095.9507 11.9616 11.8914 PRESSURE: 3751200 -174.603 -101.846 35.3519 -101.846 -182.601 85.5656 35.3511 85.5647 178.335 GPRESSURE: 3751200 -177.072 -72.4365 -16.8678 -96.1124 -130.459 0.938793 90.9409 97.1498 211.107 PRESSAVG: 3751200 -15.1654 -4.10274 -14.2241 -4.10271 -30.6905 28.9306 -14.2242 28.9306 5.78347 GPRESSAVG: 3751200 -16.0097 -3.65868 -14.7112 -5.29635 -31.0848 28.4863 -13.5688 28.2942 6.60266 TIMING: 3751200 CPU: 11853.4, 0.0031574/step Wall: 11853.4, 0.0031574/step, 1.09527 hours remaining, 237.152344 MB of memory in use. ENERGY: 3751200 4022.5214 20429.3674 14452.1918 253.5533 -203540.0327 2577.5622 0.0000 0.0000 52209.6324 -109595.2041 300.0495 -161804.8366 -109230.2050 298.7069 -59.6232 -32.1412 761646.7897 -13.3575 -13.4973 PRESSURE: 3751400 -580.521 -176.055 -55.1747 -176.055 -422.675 -21.1951 -55.1748 -21.1952 -125.648 GPRESSURE: 3751400 -615.815 -204.975 -75.1666 -166.332 -273.973 -15.0817 -43.8698 85.909 -151.44 PRESSAVG: 3751400 -31.9543 -17.3337 -40.3914 -17.3337 -21.9996 -43.7408 -40.3914 -43.7407 -11.2456 GPRESSAVG: 3751400 -31.2489 -16.8538 -40.6617 -16.4306 -21.8511 -43.7949 -40.1436 -42.6926 -11.9701 TIMING: 3751400 CPU: 11854, 0.00316347/step Wall: 11854, 0.00316347/step, 1.0972 hours remaining, 237.152344 MB of memory in use. ENERGY: 3751400 4022.5197 20383.3022 14507.0696 257.6873 -202932.2903 2220.0440 0.0000 0.0000 52048.3982 -109493.2693 299.1229 -161541.6675 -109124.3528 298.6836 -376.2813 -347.0758 762048.6211 -21.7331 -21.6900 PRESSURE: 3751600 290.574 -27.1037 18.7153 -27.1035 -32.7748 -60.2332 18.7154 -60.2337 -49.7376 GPRESSURE: 3751600 326.251 16.8329 37.2727 132.742 2.7273 -85.7327 90.3702 -98.1759 -18.9493 PRESSAVG: 3751600 1.87603 33.2411 -2.97538 33.2412 19.0092 -8.2707 -2.97537 -8.27063 22.5982 GPRESSAVG: 3751600 0.902995 33.2791 -2.89051 34.631 19.59 -8.48206 -3.27715 -8.91659 23.0107 TIMING: 3751600 CPU: 11854.7, 0.00315495/step Wall: 11854.7, 0.00315495/step, 1.09407 hours remaining, 237.152344 MB of memory in use. ENERGY: 3751600 3926.2940 20483.2753 14504.2824 235.3931 -203359.1816 2661.7279 0.0000 0.0000 51827.8314 -109720.3774 297.8553 -161548.2089 -109377.7306 298.3978 69.3539 103.3430 760160.9808 14.4945 14.5012 PRESSURE: 3751800 -287.363 195.673 102.461 195.673 -114.499 -172.653 102.461 -172.654 -200.218 GPRESSURE: 3751800 -310.601 284.954 102.92 50.5671 22.3591 -238.195 185.464 -132.908 -222.86 PRESSAVG: 3751800 -18.5943 19.0545 -40.5978 19.0544 12.0504 -73.0482 -40.5978 -73.0482 -8.43694 GPRESSAVG: 3751800 -18.3682 18.7214 -39.5299 17.4581 12.9101 -72.7883 -42.0918 -74.5137 -9.65322 TIMING: 3751800 CPU: 11855.3, 0.00316392/step Wall: 11855.3, 0.00316392/step, 1.097 hours remaining, 237.152344 MB of memory in use. ENERGY: 3751800 3957.7294 20536.1745 14528.9336 249.6454 -202945.6349 2156.7739 0.0000 0.0000 51755.5165 -109760.8616 297.4397 -161516.3781 -109395.1704 298.8935 -200.6937 -170.3674 760531.8885 -4.9936 -5.0371 PRESSURE: 3752000 -57.3187 36.0884 174.736 36.0883 -109.316 -130.62 174.735 -130.619 -185.889 GPRESSURE: 3752000 39.2826 64.1367 131.962 91.7579 -107.055 -195.045 158.974 -175.851 -195.621 PRESSAVG: 3752000 -91.5792 7.29015 9.6394 7.29012 63.9775 -84.6198 9.63935 -84.6198 -10.2757 GPRESSAVG: 3752000 -90.0596 9.55642 8.91061 7.46383 63.316 -86.1907 10.7974 -83.3612 -10.7824 TIMING: 3752000 CPU: 11855.9, 0.00317234/step Wall: 11855.9, 0.00317234/step, 1.09974 hours remaining, 237.152344 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: 3752000 3923.2057 20579.5182 14425.5117 239.1361 -203524.4559 2506.2490 0.0000 0.0000 52197.4556 -109653.3795 299.9795 -161850.8351 -109281.1642 298.8689 -117.5081 -87.7980 760602.1724 -12.6258 -12.5087 PRESSURE: 3752200 178.331 57.0085 -210.977 57.0072 35.8927 22.4295 -210.977 22.4299 102.371 GPRESSURE: 3752200 237.063 -66.2567 -169.141 -60.8221 45.8785 9.85195 -192.988 34.3499 110.756 PRESSAVG: 3752200 -17.3931 -57.148 7.69087 -57.148 24.416 11.4842 7.69093 11.4843 -17.9944 GPRESSAVG: 3752200 -17.3898 -59.8908 8.41585 -57.2441 24.1285 11.5398 7.06252 13.0681 -18.2232 TIMING: 3752200 CPU: 11856.6, 0.00315657/step Wall: 11856.6, 0.00315657/step, 1.0941 hours remaining, 237.152344 MB of memory in use. ENERGY: 3752200 4009.1702 20520.7891 14472.1096 237.8167 -203792.2258 2720.9139 0.0000 0.0000 52243.3144 -109588.1119 300.2430 -161831.4263 -109215.2560 299.2033 105.5314 131.2326 760666.0410 -3.6572 -3.8281 LDB: ============= START OF LOAD BALANCING ============== 11869.1 LDB: ============== END OF LOAD BALANCING =============== 11869.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11869.1 LDB: ============= START OF LOAD BALANCING ============== 11869.4 LDB: Largest compute 7076 load 0.031056 is 15.9% of average load 0.195614 LDB: Average compute 0.004381 is 2.2% of average load 0.195614 LDB: TIME 11869.4 LOAD: AVG 0.195614 MAX 0.21328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 11869.4 LOAD: AVG 0.195614 MAX 0.21328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 11869.4 LOAD: AVG 0.195614 MAX 0.21328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 11869.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11869.4 PRESSURE: 3752400 -141.855 -90.2995 158.361 -90.2996 37.387 183.454 158.361 183.455 18.5056 GPRESSURE: 3752400 -29.425 -90.549 127.944 -76.5525 20.2865 217.178 55.8411 68.6706 16.1803 PRESSAVG: 3752400 56.9543 -32.148 13.8043 -32.148 -43.4168 -27.3826 13.8043 -27.3827 17.6681 GPRESSAVG: 3752400 57.3447 -30.8646 13.6216 -33.1174 -44.4779 -27.6596 14.8549 -28.8907 18.0455 TIMING: 3752400 CPU: 11857.2, 0.00322725/step Wall: 11857.2, 0.00322725/step, 1.11842 hours remaining, 235.449219 MB of memory in use. ENERGY: 3752400 4068.2622 20605.8226 14453.4342 249.9832 -203501.2921 2579.2232 0.0000 0.0000 51897.4215 -109647.1453 298.2552 -161544.5668 -109282.4225 298.9011 -28.6542 2.3472 760376.9880 10.4019 10.3041 PRESSURE: 3752600 -111.791 -99.7896 38.8163 -99.7896 -126.724 53.3407 38.8159 53.3408 -263.563 GPRESSURE: 3752600 -184.106 -83.7161 13.4813 -89.8226 -33.0338 -12.5043 -48.0104 52.392 -196.066 PRESSAVG: 3752600 33.1392 -16.839 15.0324 -16.839 0.429447 -18.6615 15.0324 -18.6615 8.03014 GPRESSAVG: 3752600 32.9054 -18.5697 13.5489 -14.9504 1.18657 -15.808 12.7702 -19.4217 7.46448 TIMING: 3752600 CPU: 11857.8, 0.00315962/step Wall: 11857.8, 0.00315962/step, 1.09481 hours remaining, 235.519531 MB of memory in use. ENERGY: 3752600 3958.3623 20610.8260 14469.8262 242.1240 -203288.4181 2428.0502 0.0000 0.0000 51992.8295 -109586.3999 298.8035 -161579.2294 -109219.7526 299.0051 -167.3594 -137.7353 759701.7272 13.8663 13.8521 PRESSURE: 3752800 4.95565 -59.6118 -139.626 -59.611 215.181 -457.842 -139.626 -457.842 168.416 GPRESSURE: 3752800 78.1203 -47.1352 -146.217 -24.3026 249.671 -447.72 -87.4077 -392.891 152.516 PRESSAVG: 3752800 45.908 -11.3178 11.422 -11.3178 -32.1094 -11.4699 11.422 -11.4699 16.9138 GPRESSAVG: 3752800 45.6963 -9.99812 12.2202 -11.4021 -32.4802 -13.1918 13.3695 -11.4902 17.3562 TIMING: 3752800 CPU: 11858.5, 0.00316891/step Wall: 11858.5, 0.00316891/step, 1.09785 hours remaining, 235.519531 MB of memory in use. ENERGY: 3752800 3965.9392 20490.5957 14492.9402 251.6006 -203517.9528 2645.2803 0.0000 0.0000 52236.6094 -109434.9873 300.2045 -161671.5967 -109067.8859 299.4851 129.5177 160.1024 759119.1217 10.2375 10.1907 PRESSURE: 3753000 -308.141 206.197 4.38614 206.196 -351.627 -115.704 4.38576 -115.703 -83.7659 GPRESSURE: 3753000 -319.258 125.723 -42.0585 85.018 -370.094 -166.349 112.914 -51.8977 38.5752 PRESSAVG: 3753000 -12.7583 0.143448 18.4857 0.143411 34.7308 11.4751 18.4856 11.475 -22.2476 GPRESSAVG: 3753000 -12.7275 -0.253516 19.3417 -0.81569 33.7338 13.2935 17.2558 9.76528 -21.2095 TIMING: 3753000 CPU: 11859.1, 0.00315306/step Wall: 11859.1, 0.00315306/step, 1.09219 hours remaining, 235.722656 MB of memory in use. ENERGY: 3753000 3946.1319 20531.4421 14485.8663 238.7374 -203699.7894 2751.9511 0.0000 0.0000 52173.2342 -109572.4263 299.8403 -161745.6605 -109206.1971 298.8546 -247.8447 -216.9256 760163.4231 -0.0917 -0.0677 PRESSURE: 3753200 218.109 -12.342 -81.2142 -12.3422 -135.456 -143.12 -81.2144 -143.119 391.502 GPRESSURE: 3753200 185.378 73.8443 -52.4131 -14.9692 -32.5437 -151.618 -160.865 -117.637 409.804 PRESSAVG: 3753200 -5.92441 29.2895 -24.7511 29.2895 -12.9525 32.8745 -24.7511 32.8745 24.481 GPRESSAVG: 3753200 -6.63244 30.782 -27.596 29.1901 -10.5513 32.2681 -22.4797 31.8911 22.5791 TIMING: 3753200 CPU: 11859.7, 0.00316601/step Wall: 11859.7, 0.00316601/step, 1.09649 hours remaining, 235.722656 MB of memory in use. ENERGY: 3753200 3927.4348 20462.2048 14475.5476 238.2276 -203559.3786 2717.0827 0.0000 0.0000 52190.7751 -109548.1060 299.9411 -161738.8811 -109184.8360 299.2811 158.0514 187.5460 761687.3125 1.8680 1.7984 PRESSURE: 3753400 -320.863 -22.6761 293.051 -22.6761 -249.904 -284.286 293.051 -284.287 -391.701 GPRESSURE: 3753400 -200.289 -145.966 246.545 41.346 -282.454 -338.517 275.701 -149.541 -393.653 PRESSAVG: 3753400 -13.0677 19.3787 -52.4684 19.3787 17.6457 -3.82998 -52.4684 -3.82995 10.7765 GPRESSAVG: 3753400 -11.7301 19.4587 -51.1882 19.0114 15.2613 -5.09824 -53.6123 0.241841 11.5531 TIMING: 3753400 CPU: 11860.4, 0.00315071/step Wall: 11860.4, 0.00315071/step, 1.09102 hours remaining, 235.722656 MB of memory in use. ENERGY: 3753400 3936.3285 20461.3927 14534.4280 260.6744 -203595.3350 2728.9945 0.0000 0.0000 52033.4988 -109640.0180 299.0372 -161673.5169 -109277.8378 299.0791 -320.8224 -292.1319 761465.0122 5.1182 5.0281 PRESSURE: 3753600 -44.8503 -135.978 15.1294 -135.978 176.447 133.168 15.1291 133.168 -28.2806 GPRESSURE: 3753600 78.7182 -155.806 54.1156 -150.671 107.331 114.39 30.1523 194.173 -15.0756 PRESSAVG: 3753600 4.16467 -11.4534 26.6245 -11.4534 32.7264 20.6426 26.6245 20.6425 -17.4917 GPRESSAVG: 3753600 3.66136 -12.5878 27.2239 -8.87612 33.6944 21.3811 26.3215 18.5092 -18.1364 TIMING: 3753600 CPU: 11861, 0.00315414/step Wall: 11861, 0.00315414/step, 1.09203 hours remaining, 235.722656 MB of memory in use. ENERGY: 3753600 4006.0218 20668.4800 14453.5366 230.9684 -203406.2963 2677.7923 0.0000 0.0000 51764.1496 -109605.3476 297.4893 -161369.4972 -109261.4109 298.6759 34.4388 56.9912 759875.9754 6.4665 6.4064 PRESSURE: 3753800 161.138 155.466 196.494 155.466 168.085 -247.83 196.494 -247.83 -92.1298 GPRESSURE: 3753800 139.709 3.96488 217.388 141.325 188.976 -278.584 129.838 -184.645 -15.1805 PRESSAVG: 3753800 -18.1537 10.3187 35.4556 10.3188 79.1154 37.517 35.4556 37.517 -19.5038 GPRESSAVG: 3753800 -17.9332 10.6012 35.3022 11.0638 79.0968 37.5058 35.3697 38.8237 -19.8778 TIMING: 3753800 CPU: 11861.6, 0.00316235/step Wall: 11861.6, 0.00316235/step, 1.0947 hours remaining, 235.722656 MB of memory in use. ENERGY: 3753800 3924.4588 20534.3286 14440.4151 243.9740 -203538.0328 2828.3900 0.0000 0.0000 52093.4397 -109473.0268 299.3817 -161566.4664 -109111.6053 299.0183 79.0311 104.5012 761550.5568 13.8193 13.7619 PRESSURE: 3754000 32.3728 -169.88 -51.457 -169.88 237.719 62.3484 -51.4569 62.3474 -25.3093 GPRESSURE: 3754000 21.8087 -120.442 -151.306 -175.15 264.627 22.3214 -26.8815 58.5867 47.6941 PRESSAVG: 3754000 -21.2124 12.0332 4.28498 12.0332 -8.75312 3.56324 4.28503 3.56324 20.9288 GPRESSAVG: 3754000 -21.759 9.80135 3.61089 9.77372 -7.4402 4.34779 2.50369 1.8109 20.9646 TIMING: 3754000 CPU: 11862.3, 0.00316434/step Wall: 11862.3, 0.00316434/step, 1.09521 hours remaining, 235.722656 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: 3754000 4031.6200 20590.9402 14445.5609 263.7176 -203187.1736 2728.1718 0.0000 0.0000 51929.4925 -109197.6706 298.4395 -161127.1631 -108838.1490 299.3969 81.5942 111.3765 761873.7080 -3.0122 -2.7449 PRESSURE: 3754200 161.292 94.9216 55.5778 94.9213 273.06 -54.3309 55.5758 -54.3298 81.7677 GPRESSURE: 3754200 159.258 148.371 176.737 48.3566 309.838 73.9327 -164.411 -86.5808 145.112 PRESSAVG: 3754200 -0.215258 -32.1355 21.9934 -32.1355 19.9491 8.9485 21.9935 8.94845 -8.97084 GPRESSAVG: 3754200 0.365439 -29.5389 22.9995 -32.0652 18.5455 6.75658 23.3796 9.01392 -8.27992 TIMING: 3754200 CPU: 11862.9, 0.00316126/step Wall: 11862.9, 0.00316126/step, 1.09397 hours remaining, 235.722656 MB of memory in use. ENERGY: 3754200 3992.9267 20642.9124 14453.7061 264.0344 -203540.8274 2912.3389 0.0000 0.0000 52107.0640 -109167.8448 299.4600 -161274.9088 -108804.4473 299.7376 172.0399 204.7362 760956.1743 3.5877 3.5437 PRESSURE: 3754400 -154.602 -1.14014 25.6083 -1.13975 -83.5765 -14.8627 25.6088 -14.8624 104.828 GPRESSURE: 3754400 -92.9545 -77.3156 96.5229 -10.3673 -113.269 26.9856 27.8818 -137.424 145.108 PRESSAVG: 3754400 -5.6728 8.35775 56.2478 8.35766 -3.35093 -29.2771 56.2478 -29.2771 5.65447 GPRESSAVG: 3754400 -5.65054 6.37357 56.3411 7.8126 -2.18254 -26.7275 55.7044 -28.5042 4.70162 TIMING: 3754400 CPU: 11863.5, 0.00315259/step Wall: 11863.5, 0.00315259/step, 1.0908 hours remaining, 235.722656 MB of memory in use. ENERGY: 3754400 4033.3230 20605.2932 14475.6426 262.6976 -203298.0531 2632.6866 0.0000 0.0000 52082.4998 -109205.9102 299.3188 -161288.4100 -108850.0335 299.8304 -44.4501 -20.3718 761402.0398 -1.1231 -1.0438 PRESSURE: 3754600 -149.748 -0.68289 -145.513 -0.682331 -168.396 22.3947 -145.513 22.3961 79.776 GPRESSURE: 3754600 -77.4384 -10.4012 -65.0253 -7.68553 -178.1 -37.5343 -91.2095 -1.0453 106.993 PRESSAVG: 3754600 25.5221 12.327 -19.4004 12.327 -2.91989 39.1615 -19.4004 39.1615 -17.5915 GPRESSAVG: 3754600 24.8029 14.1096 -21.0022 13.9129 -3.0827 38.1829 -17.1646 37.6416 -16.9915 TIMING: 3754600 CPU: 11864.2, 0.00316093/step Wall: 11864.2, 0.00316093/step, 1.09351 hours remaining, 235.722656 MB of memory in use. ENERGY: 3754600 4017.1153 20587.3030 14480.8712 239.7974 -203687.7240 2894.8284 0.0000 0.0000 52039.4337 -109428.3750 299.0713 -161467.8088 -109062.5440 299.4647 -79.4560 -49.5152 760689.0433 1.6702 1.5762 PRESSURE: 3754800 95.7378 151.18 107.158 151.179 -103.433 55.538 107.159 55.5384 -366.714 GPRESSURE: 3754800 53.7369 220.279 -15.1102 217.199 -31.529 144.538 118.308 72.7294 -335.728 PRESSAVG: 3754800 -12.4829 -22.9522 8.04384 -22.9522 -1.98922 -1.44729 8.04391 -1.44731 19.0323 GPRESSAVG: 3754800 -11.4649 -24.2445 7.62586 -22.7382 -2.63473 -1.42688 7.28132 1.2704 18.9517 TIMING: 3754800 CPU: 11864.8, 0.00315691/step Wall: 11864.8, 0.00315691/step, 1.09194 hours remaining, 235.722656 MB of memory in use. ENERGY: 3754800 4047.2531 20572.3035 14457.8729 237.4397 -203124.2476 2517.8294 0.0000 0.0000 51906.5500 -109384.9990 298.3077 -161291.5490 -109024.5911 299.0015 -124.8032 -104.5066 762476.4642 1.5201 1.6173 PRESSURE: 3755000 -318.962 -43.9295 202.718 -43.9306 -212.998 -92.8123 202.718 -92.8109 -72.3531 GPRESSURE: 3755000 -294.963 -152.384 234.036 -40.0833 -148.053 -133.816 81.086 -30.5266 -86.2838 PRESSAVG: 3755000 -35.0512 -27.5453 -4.86923 -27.5453 12.6086 57.3956 -4.86922 57.3956 2.73469 GPRESSAVG: 3755000 -36.1281 -26.2757 -6.21037 -29.0874 14.2181 56.9309 -4.44966 55.4417 1.86924 TIMING: 3755000 CPU: 11865.4, 0.00314355/step Wall: 11865.4, 0.00314355/step, 1.08715 hours remaining, 235.925781 MB of memory in use. ENERGY: 3755000 4079.4940 20557.0459 14434.9748 248.6244 -203596.6469 2723.6233 0.0000 0.0000 52123.8960 -109428.9884 299.5567 -161552.8844 -109063.7485 299.2121 -201.4378 -176.4333 761760.2398 -6.5693 -6.6803 PRESSURE: 3755200 84.1316 319.383 -124.119 319.383 391.227 -48.4206 -124.119 -48.4199 -224.862 GPRESSURE: 3755200 153.061 283.128 -193.621 244.577 358.448 -133.593 -41.9634 -143.043 -165.491 PRESSAVG: 3755200 3.79779 -64.3947 37.7423 -64.3946 -13.7113 32.8991 37.7424 32.899 20.2152 GPRESSAVG: 3755200 3.77366 -65.0071 39.5209 -64.8779 -14.4087 34.5942 38.429 33.8555 20.5799 TIMING: 3755200 CPU: 11866, 0.0031343/step Wall: 11866, 0.0031343/step, 1.08377 hours remaining, 235.925781 MB of memory in use. ENERGY: 3755200 3940.7761 20459.6970 14395.0147 247.5128 -203262.6678 2709.6686 0.0000 0.0000 51919.9405 -109590.0580 298.3846 -161509.9985 -109222.2864 298.7734 83.4988 115.3390 760573.1002 3.4339 3.3150 PRESSURE: 3755400 74.7003 -48.339 -18.8369 -48.3395 -142.087 117.422 -18.8367 117.42 126.573 GPRESSURE: 3755400 -8.23151 -103.933 -74.0466 -45.2738 -79.0539 93.4203 -28.6632 13.2233 231.7 PRESSAVG: 3755400 -0.599204 -28.9667 38.0994 -28.9667 -23.7121 46.2376 38.0994 46.2375 -5.01044 GPRESSAVG: 3755400 -0.674412 -30.6919 38.5361 -28.0774 -23.7129 45.5373 35.5655 45.1781 -4.54382 TIMING: 3755400 CPU: 11866.7, 0.00313905/step Wall: 11866.7, 0.00313905/step, 1.08524 hours remaining, 235.925781 MB of memory in use. ENERGY: 3755400 4035.4993 20531.7458 14351.7972 263.3712 -203686.3450 2828.0006 0.0000 0.0000 51951.9105 -109724.0205 298.5683 -161675.9310 -109367.8344 298.3349 19.7289 48.1381 762801.1402 -9.7739 -9.6437 PRESSURE: 3755600 -131.215 157.752 20.5893 157.752 44.2207 -89.4996 20.5881 -89.5002 -402.782 GPRESSURE: 3755600 -141.548 179.93 39.0384 110.985 41.9827 -72.5278 -40.7242 -78.0478 -305.04 PRESSAVG: 3755600 -9.49631 11.8479 57.1792 11.8479 27.8484 -11.888 57.1792 -11.888 -16.5502 GPRESSAVG: 3755600 -9.59916 13.6679 56.9106 12.9698 27.8826 -11.4307 58.2779 -11.3107 -16.4343 TIMING: 3755600 CPU: 11867.3, 0.00315232/step Wall: 11867.3, 0.00315232/step, 1.08965 hours remaining, 235.925781 MB of memory in use. ENERGY: 3755600 4031.6314 20787.2027 14500.8139 239.4512 -203816.3632 2664.5611 0.0000 0.0000 51966.7018 -109626.0011 298.6533 -161592.7030 -109265.6961 298.8835 -163.2589 -134.8687 760453.5096 0.6006 0.6164 PRESSURE: 3755800 -322.71 -308.111 -67.7913 -308.112 106.781 140.222 -67.7909 140.222 100.414 GPRESSURE: 3755800 -278.023 -321.458 -66.9969 -254.125 70.6583 65.9682 66.127 157.339 167.424 PRESSAVG: 3755800 49.9847 -43.2443 -11.5001 -43.2443 -35.2353 46.2544 -11.5001 46.2543 -11.7619 GPRESSAVG: 3755800 49.1561 -43.3366 -11.7869 -45.7433 -35.2611 45.1608 -11.5911 44.0729 -11.4618 TIMING: 3755800 CPU: 11867.9, 0.00314888/step Wall: 11867.9, 0.00314888/step, 1.08829 hours remaining, 235.925781 MB of memory in use. ENERGY: 3755800 4001.0391 20498.3373 14355.5915 264.0056 -203691.1847 2733.5507 0.0000 0.0000 52058.6504 -109780.0101 299.1818 -161838.6605 -109416.6176 298.7587 -38.5049 -13.3135 760857.3837 0.9958 0.8110 PRESSURE: 3756000 -145.441 69.8055 234.905 69.8058 19.9628 -222.85 234.904 -222.85 -396.362 GPRESSURE: 3756000 -146.518 69.1436 305.366 -17.4502 89.9179 -241.098 192.9 -71.5351 -379.534 PRESSAVG: 3756000 -38.9569 -11.3529 9.91077 -11.3529 60.3329 49.6153 9.9107 49.6153 -0.17209 GPRESSAVG: 3756000 -38.0248 -13.7773 11.5112 -8.51129 60.5423 50.581 11.1172 52.711 -1.11202 TIMING: 3756000 CPU: 11868.6, 0.00314805/step Wall: 11868.6, 0.00314805/step, 1.08783 hours remaining, 235.925781 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: 3756000 4030.9686 20514.5475 14383.9312 236.6336 -203170.4645 2552.5956 0.0000 0.0000 51904.0804 -109547.7076 298.2935 -161451.7880 -109180.2798 298.5147 -173.9468 -145.3782 761842.4605 7.0680 7.1352 PRESSURE: 3756200 -266.449 118.384 146.528 118.383 127.818 -190.259 146.53 -190.259 214.695 GPRESSURE: 3756200 -175.853 126.924 77.9368 70.0794 138.315 -155.19 155.605 -96.1121 192.575 PRESSAVG: 3756200 -1.37796 -29.851 53.5807 -29.851 26.4585 14.6513 53.5808 14.6514 11.2945 GPRESSAVG: 3756200 -0.771537 -28.5483 52.0738 -29.7336 25.3078 15.4387 52.1775 13.1322 12.237 TIMING: 3756200 CPU: 11869.2, 0.0031469/step Wall: 11869.2, 0.0031469/step, 1.08725 hours remaining, 235.925781 MB of memory in use. ENERGY: 3756200 4015.9446 20470.9033 14395.7818 244.5505 -203191.6150 2464.5365 0.0000 0.0000 52073.7104 -109526.1879 299.2683 -161599.8983 -109159.3592 299.0292 25.3546 51.6791 760832.7423 12.1250 12.2578 LDB: ============= START OF LOAD BALANCING ============== 11881.7 LDB: ============== END OF LOAD BALANCING =============== 11881.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11881.7 LDB: ============= START OF LOAD BALANCING ============== 11882 LDB: Largest compute 7075 load 0.034222 is 17.5% of average load 0.195658 LDB: Average compute 0.004364 is 2.2% of average load 0.195658 LDB: TIME 11882.1 LOAD: AVG 0.195658 MAX 0.216479 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 11882.1 LOAD: AVG 0.195658 MAX 0.216479 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: TIME 11882.1 LOAD: AVG 0.195658 MAX 0.216479 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: ============== END OF LOAD BALANCING =============== 11882.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11882.1 PRESSURE: 3756400 -60.4253 -188.472 -32.3356 -188.473 78.9295 332.26 -32.3356 332.259 -139.189 GPRESSURE: 3756400 -14.6102 -170.715 -2.41813 -179.21 148.408 277.899 -21.2988 345.15 -164.938 PRESSAVG: 3756400 -24.2379 -59.3061 5.27156 -59.306 -5.09156 10.4541 5.27157 10.4541 0.165712 GPRESSAVG: 3756400 -24.4098 -61.2047 5.27554 -58.7219 -5.10077 10.0599 4.98085 10.0808 0.648369 TIMING: 3756400 CPU: 11869.8, 0.00322897/step Wall: 11869.8, 0.00322897/step, 1.11543 hours remaining, 238.476562 MB of memory in use. ENERGY: 3756400 3995.2940 20450.2137 14461.5931 237.0553 -203667.7690 2592.4055 0.0000 0.0000 52076.7649 -109854.4424 299.2859 -161931.2074 -109491.8186 298.3850 -40.2283 -10.3801 760519.4840 -9.7212 -9.6207 PRESSURE: 3756600 443.487 -157.979 -200.427 -157.979 7.64335 -79.1708 -200.427 -79.1714 -141.417 GPRESSURE: 3756600 417.871 -3.24104 -104.655 -173.297 95.8653 -82.5893 -141.036 -58.9297 -118.958 PRESSAVG: 3756600 46.4619 -25.5175 -11.3196 -25.5175 -2.55713 34.8631 -11.3196 34.8631 24.3477 GPRESSAVG: 3756600 45.8733 -22.8405 -11.4143 -25.6204 -1.95935 33.8166 -8.47848 36.0598 24.6668 TIMING: 3756600 CPU: 11870.5, 0.00317126/step Wall: 11870.5, 0.00317126/step, 1.09532 hours remaining, 238.546875 MB of memory in use. ENERGY: 3756600 3935.7767 20479.9512 14411.7240 243.9026 -203174.2563 2358.7910 0.0000 0.0000 51837.1116 -109906.9992 297.9086 -161744.1108 -109542.3450 297.8724 103.2378 131.5928 759390.5809 22.7508 22.8603 PRESSURE: 3756800 -487.212 -43.5687 -19.6277 -43.5688 151.419 -156.955 -19.6283 -156.955 -147.399 GPRESSURE: 3756800 -378.3 131.374 -58.8899 -60.7631 78.7175 -219.518 -78.952 -85.6944 -96.7807 PRESSAVG: 3756800 8.56272 -1.87915 40 -1.87924 1.02004 34.1886 39.9999 34.1885 -10.9895 GPRESSAVG: 3756800 8.96866 -4.01484 40.7452 -2.02529 0.416783 34.0955 36.964 33.2339 -10.89 TIMING: 3756800 CPU: 11871.1, 0.00317838/step Wall: 11871.1, 0.00317838/step, 1.0976 hours remaining, 238.546875 MB of memory in use. ENERGY: 3756800 4021.8897 20520.3461 14440.8957 235.1350 -203579.1620 2551.2412 0.0000 0.0000 51960.1848 -109849.4695 298.6159 -161809.6543 -109491.5723 297.8870 -161.0642 -132.1210 761860.9671 -0.4689 -0.5015 PRESSURE: 3757000 116.33 -14.0063 -153.356 -14.0074 198.975 -22.1043 -153.355 -22.1031 -385.632 GPRESSURE: 3757000 65.3117 -80.7743 -118.339 -44.5073 215.61 50.6737 -1.68927 -23.4448 -255.159 PRESSAVG: 3757000 24.516 -70.8838 23.7947 -70.8839 1.9811 -39.2808 23.7948 -39.2808 20.3 GPRESSAVG: 3757000 24.257 -68.8863 23.3238 -70.71 2.5772 -39.1822 24.196 -40.3239 20.468 TIMING: 3757000 CPU: 11871.7, 0.00317191/step Wall: 11871.7, 0.00317191/step, 1.09519 hours remaining, 238.546875 MB of memory in use. ENERGY: 3757000 3975.5475 20455.2450 14449.4109 242.8927 -203923.8217 2872.8294 0.0000 0.0000 52026.5537 -109901.3425 298.9973 -161927.8962 -109537.0503 298.6757 -23.4426 8.5875 761272.3687 15.5990 15.7674 PRESSURE: 3757200 61.8642 -192.708 -71.4704 -192.709 29.5255 157.268 -71.4704 157.269 175.837 GPRESSURE: 3757200 111.437 -270.887 -193.332 -133.019 9.90481 66.4348 -31.4088 236.694 236.655 PRESSAVG: 3757200 42.6356 -31.8269 41.3116 -31.8269 -23.7131 3.22716 41.3115 3.2272 -17.8367 GPRESSAVG: 3757200 42.9836 -32.5905 41.8566 -33.9411 -23.2543 4.18494 42.869 2.36295 -18.2193 TIMING: 3757200 CPU: 11872.4, 0.00314945/step Wall: 11872.4, 0.00314945/step, 1.08726 hours remaining, 238.546875 MB of memory in use. ENERGY: 3757200 3969.9230 20706.8954 14450.2861 256.9612 -203804.6481 2820.3547 0.0000 0.0000 51683.5334 -109916.6942 297.0260 -161600.2276 -109569.3179 298.6281 89.0756 119.3325 760412.7729 0.3619 0.5033 PRESSURE: 3757400 -193.522 34.0769 126.679 34.0768 111.133 159.285 126.679 159.285 189.452 GPRESSURE: 3757400 -78.5725 8.39593 123.989 37.8676 35.6029 77.877 -11.1503 245.58 230.308 PRESSAVG: 3757400 -8.70595 -41.9357 -8.1097 -41.9357 -13.2794 -11.0555 -8.10973 -11.0555 -18.7735 GPRESSAVG: 3757400 -8.3018 -43.3874 -8.40887 -41.1764 -12.9319 -13.3518 -7.99556 -9.28409 -19.436 TIMING: 3757400 CPU: 11873, 0.00315321/step Wall: 11873, 0.00315321/step, 1.08838 hours remaining, 238.546875 MB of memory in use. ENERGY: 3757400 3982.1684 20516.7187 14367.7722 245.1239 -203572.4042 2860.6541 0.0000 0.0000 51983.5427 -109616.4241 298.7501 -161599.9669 -109261.7970 298.2345 35.6875 62.4460 762443.9312 -13.5863 -13.5566 PRESSURE: 3757600 -1.47018 16.9619 -69.3129 16.9615 134.507 194.316 -69.3133 194.315 59.4376 GPRESSURE: 3757600 48.8968 22.3362 -60.0273 52.8868 175.211 135.058 -78.9725 153.172 57.893 PRESSAVG: 3757600 -4.93718 -52.7512 23.7951 -52.7513 -4.39913 18.599 23.7951 18.5991 -10.7088 GPRESSAVG: 3757600 -3.04489 -51.2858 23.1768 -53.4211 -5.82593 19.2426 23.3076 18.6465 -11.5012 TIMING: 3757600 CPU: 11873.6, 0.00314453/step Wall: 11873.6, 0.00314453/step, 1.08521 hours remaining, 238.546875 MB of memory in use. ENERGY: 3757600 4047.7734 20548.6800 14390.6201 253.0140 -203260.5400 2731.0338 0.0000 0.0000 51813.5943 -109475.8244 297.7734 -161289.4187 -109118.2013 298.9314 64.1581 94.0002 762314.5759 -6.6817 -6.7907 PRESSURE: 3757800 -224.969 -75.8209 -222.153 -75.8219 37.2551 137.367 -222.153 137.366 -464.991 GPRESSURE: 3757800 -152.369 -102.411 -155.143 23.6917 47.5567 37.4711 -120.101 251 -448.351 PRESSAVG: 3757800 -31.0308 -47.5923 25.9135 -47.5923 37.1328 5.42032 25.9135 5.42038 41.711 GPRESSAVG: 3757800 -32.7989 -46.2812 26.9689 -46.517 36.6156 5.42913 24.8941 3.74929 43.4624 TIMING: 3757800 CPU: 11874.3, 0.00315715/step Wall: 11874.3, 0.00315715/step, 1.08939 hours remaining, 238.546875 MB of memory in use. ENERGY: 3757800 4043.2483 20474.9682 14387.4023 236.2347 -202769.8436 2267.0126 0.0000 0.0000 52083.7271 -109277.2503 299.3259 -161360.9774 -108912.5611 299.4388 -217.5685 -184.3877 764704.6171 15.9377 15.7597 PRESSURE: 3758000 -155.935 -174.519 187.767 -174.519 -129.759 -23.6593 187.767 -23.659 -219.291 GPRESSURE: 3758000 -136.26 -250.795 142.978 -229.686 -149.35 -55.648 179.889 63.8982 -135.484 PRESSAVG: 3758000 -20.8439 -18.1058 51.7251 -18.1057 11.1954 12.3893 51.7251 12.3894 10.6267 GPRESSAVG: 3758000 -22.927 -18.7491 51.9876 -19.888 12.682 13.2565 51.8005 13.1399 10.4926 TIMING: 3758000 CPU: 11874.9, 0.00314689/step Wall: 11874.9, 0.00314689/step, 1.08568 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: 3758000 3969.9520 20617.9958 14453.8730 251.5464 -203128.6209 2503.8296 0.0000 0.0000 51964.7110 -109366.7131 298.6419 -161331.4241 -109009.6255 299.3833 -168.3281 -140.3645 762346.4793 0.3261 0.0825 PRESSURE: 3758200 -365.876 -36.4737 76.8397 -36.4733 123.668 -94.5124 76.8392 -94.512 95.9958 GPRESSURE: 3758200 -214.909 -29.267 131.289 -11.0021 35.1552 -102.616 -8.36725 -58.7518 112.261 PRESSAVG: 3758200 25.524 -4.65272 -23.2745 -4.65269 8.92724 -16.3861 -23.2745 -16.386 -6.4158 GPRESSAVG: 3758200 26.7373 -5.75933 -24.8479 -1.80027 7.80315 -16.8459 -23.6284 -15.7427 -6.3916 TIMING: 3758200 CPU: 11875.5, 0.00315732/step Wall: 11875.5, 0.00315732/step, 1.0891 hours remaining, 238.546875 MB of memory in use. ENERGY: 3758200 3979.6199 20631.7954 14416.7045 239.6459 -203315.5895 2476.5353 0.0000 0.0000 52057.8025 -109513.4859 299.1769 -161571.2884 -109153.8005 299.6934 -48.7374 -22.4976 762919.9697 9.3451 9.3830 PRESSURE: 3758400 31.1109 -65.345 86.1373 -65.3455 -281.587 71.3762 86.1379 71.3772 242.797 GPRESSURE: 3758400 148.634 -132.727 99.5127 -60.6855 -352.564 117.497 -18.9986 -0.0251005 283.513 PRESSAVG: 3758400 4.90441 -37.3027 -53.045 -37.3027 -8.03284 1.05932 -53.0451 1.05935 23.5382 GPRESSAVG: 3758400 5.2091 -35.9057 -52.2984 -38.8056 -7.0491 1.36241 -51.2126 -0.345895 22.3981 TIMING: 3758400 CPU: 11876.2, 0.00316606/step Wall: 11876.2, 0.00316606/step, 1.09194 hours remaining, 238.546875 MB of memory in use. ENERGY: 3758400 4003.2614 20501.8300 14477.7082 262.5564 -203257.8609 2367.3379 0.0000 0.0000 51958.4329 -109686.7340 298.6058 -161645.1669 -109323.9677 299.0089 -2.5598 26.5278 760760.5626 6.8033 6.8527 PRESSURE: 3758600 158.061 -193.333 33.9423 -193.332 124.821 112.612 33.9438 112.612 198.227 GPRESSURE: 3758600 89.2645 -115.115 -84.1129 -140.955 224.861 105.478 36.947 28.6534 240.95 PRESSAVG: 3758600 -63.3334 -15.9099 4.36997 -15.9099 61.1692 4.04619 4.37001 4.04627 -10.3138 GPRESSAVG: 3758600 -63.1298 -16.1249 3.30832 -16.0805 61.4624 5.00653 3.09594 3.44791 -10.1363 TIMING: 3758600 CPU: 11876.8, 0.00316013/step Wall: 11876.8, 0.00316013/step, 1.08972 hours remaining, 238.546875 MB of memory in use. ENERGY: 3758600 3988.6223 20571.2913 14510.0648 233.7585 -203653.7284 2756.8996 0.0000 0.0000 51751.2023 -109841.8896 297.4149 -161593.0919 -109490.2777 298.2685 160.3694 185.0250 762249.9441 -4.1593 -3.9346 PRESSURE: 3758800 356.615 122.692 32.6916 122.692 -150.305 -203.885 32.6926 -203.885 -81.5101 GPRESSURE: 3758800 332.857 46.55 22.4581 45.8177 -123.665 -164.637 -39.0334 -129.324 -12.7879 PRESSAVG: 3758800 12.1271 -12.513 -26.4963 -12.513 43.7448 -5.06042 -26.4964 -5.06034 13.8104 GPRESSAVG: 3758800 10.4254 -13.1572 -24.9788 -13.5989 43.8508 -6.95085 -25.8927 -3.55562 15.4106 TIMING: 3758800 CPU: 11877.4, 0.00315621/step Wall: 11877.4, 0.00315621/step, 1.08819 hours remaining, 238.546875 MB of memory in use. ENERGY: 3758800 4002.7550 20492.0342 14416.9331 220.0331 -203526.9562 2654.2624 0.0000 0.0000 51923.1265 -109817.8119 298.4029 -161740.9384 -109449.4643 298.2141 41.6000 65.4681 761368.7342 23.2275 23.2289 PRESSURE: 3759000 -484.432 110.484 -25.2037 110.484 -105.138 157.735 -25.204 157.735 243.499 GPRESSURE: 3759000 -274.483 185.823 -76.8462 52.8477 -172.06 180.348 -85.1932 170.045 183.647 PRESSAVG: 3759000 -22.424 3.55315 -47.7936 3.55309 63.5146 52.799 -47.7936 52.7989 -1.72888 GPRESSAVG: 3759000 -21.2024 5.37682 -47.7354 5.51889 63.1126 53.6582 -48.3719 52.3172 -2.93602 TIMING: 3759000 CPU: 11878.1, 0.00315047/step Wall: 11878.1, 0.00315047/step, 1.08604 hours remaining, 238.546875 MB of memory in use. ENERGY: 3759000 3962.0816 20602.7254 14461.0236 237.8730 -203656.0889 2640.4886 0.0000 0.0000 52044.9727 -109706.9240 299.1032 -161751.8966 -109344.2655 298.6468 -115.3569 -87.6317 760497.9663 13.1206 12.9914 PRESSURE: 3759200 123.156 60.335 -86.76 60.3348 111.692 32.9133 -86.7606 32.9136 -214.691 GPRESSURE: 3759200 178.318 -80.9967 -69.931 30.5065 49.1375 29.7646 -129.108 -20.8535 -104.279 PRESSAVG: 3759200 8.67459 -17.8332 -78.4039 -17.8331 -35.1587 -0.126501 -78.404 -0.126536 -9.38785 GPRESSAVG: 3759200 8.83117 -20.0886 -77.6728 -18.7778 -35.7686 -0.877384 -77.6163 0.396667 -8.40841 TIMING: 3759200 CPU: 11878.7, 0.00315729/step Wall: 11878.7, 0.00315729/step, 1.08821 hours remaining, 238.546875 MB of memory in use. ENERGY: 3759200 3971.8533 20474.1447 14476.8779 255.8448 -203452.2314 2579.8772 0.0000 0.0000 52087.4515 -109606.1820 299.3473 -161693.6335 -109234.8272 299.0514 6.7190 41.0586 761869.4811 -11.9573 -11.7820 PRESSURE: 3759400 -401.977 -91.7018 52.9402 -91.7021 146.365 -49.7886 52.9396 -49.7877 489.079 GPRESSURE: 3759400 -366.037 -46.7996 0.227558 -175.377 212.849 -91.5014 -166.028 10.8308 473.006 PRESSAVG: 3759400 -10.7374 -72.1323 -11.4026 -72.1323 52.1326 -2.98779 -11.4027 -2.98784 0.336579 GPRESSAVG: 3759400 -11.5438 -70.4548 -12.5876 -72.6417 53.4362 -3.79467 -11.6113 -1.93397 -0.621678 TIMING: 3759400 CPU: 11879.3, 0.00314402/step Wall: 11879.3, 0.00314402/step, 1.08346 hours remaining, 238.546875 MB of memory in use. ENERGY: 3759400 3985.8804 20569.7288 14431.4606 264.8527 -203983.0116 2597.3896 0.0000 0.0000 52402.4249 -109731.2745 301.1575 -162133.6995 -109369.3433 299.1543 77.8222 106.6059 760034.7896 13.9106 13.7569 PRESSURE: 3759600 15.2291 -161.901 -79.9025 -161.901 -299.029 -263.308 -79.9022 -263.308 -402.365 GPRESSURE: 3759600 -7.25842 -138.715 -57.2608 -169.351 -250.612 -293.429 -104.721 -292.851 -358.608 PRESSAVG: 3759600 -28.0865 -15.8986 -34.7739 -15.8986 -8.16931 -28.0753 -34.7739 -28.0753 -17.7017 GPRESSAVG: 3759600 -27.3742 -17.4613 -35.1583 -15.4952 -8.77663 -26.2119 -34.7912 -29.3741 -17.7172 TIMING: 3759600 CPU: 11879.9, 0.00314935/step Wall: 11879.9, 0.00314935/step, 1.08513 hours remaining, 238.546875 MB of memory in use. ENERGY: 3759600 4035.2765 20558.1107 14504.3968 234.8989 -203278.5593 2622.7806 0.0000 0.0000 51962.3933 -109360.7025 298.6286 -161323.0957 -109001.4767 299.4565 -228.7216 -205.4930 764242.3294 -17.9858 -17.9560 PRESSURE: 3759800 -27.6204 -211.917 92.5405 -211.918 -23.2528 -2.6118 92.5394 -2.61121 -570.021 GPRESSURE: 3759800 -63.7764 -134.55 50.2123 -175.378 27.904 -52.8182 128.584 15.6891 -509.486 PRESSAVG: 3759800 -14.144 -13.319 -57.5308 -13.319 -19.9109 14.8806 -57.5309 14.8806 3.99278 GPRESSAVG: 3759800 -14.9068 -12.5746 -57.667 -14.0317 -19.5333 14.9175 -56.1024 14.2335 3.89357 TIMING: 3759800 CPU: 11880.6, 0.00315836/step Wall: 11880.6, 0.00315836/step, 1.08805 hours remaining, 238.546875 MB of memory in use. ENERGY: 3759800 4074.4725 20492.8100 14438.5613 239.3134 -203366.2367 2767.3589 0.0000 0.0000 52010.9439 -109342.7766 298.9076 -161353.7205 -108974.8954 299.0932 -206.9647 -181.7863 763409.8689 -10.0207 -10.1822 PRESSURE: 3760000 -153.883 -64.4202 -0.692216 -64.4202 447.78 -159.649 -0.691635 -159.648 96.6438 GPRESSURE: 3760000 -118.996 -112.161 28.8883 -61.9465 445.642 -206.079 -87.4586 -48.3044 155.193 PRESSAVG: 3760000 -32.874 -24.7862 7.28693 -24.7862 108.158 17.5573 7.28691 17.5573 2.44829 GPRESSAVG: 3760000 -32.4506 -25.4346 7.7679 -22.732 107.7 15.4439 5.44211 18.3199 2.07973 TIMING: 3760000 CPU: 11881.2, 0.0031561/step Wall: 11881.2, 0.0031561/step, 1.0871 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: 3760000 3895.7309 20444.0780 14407.5441 242.5370 -203399.2890 2846.5810 0.0000 0.0000 51947.7057 -109615.1123 298.5442 -161562.8181 -109269.6620 299.2180 130.1802 160.6132 764019.3457 25.9106 25.7765 PRESSURE: 3760200 -267.504 217.989 17.5426 217.989 -82.2984 120.535 17.5422 120.534 -80.2255 GPRESSURE: 3760200 -193.934 265.96 47.7725 148.153 -107.673 76.216 -7.23927 135.144 -50.6496 PRESSAVG: 3760200 -50.5464 5.90253 -16.354 5.90254 33.9332 -12.9381 -16.3539 -12.9382 -11.8013 GPRESSAVG: 3760200 -51.2157 5.53124 -16.3435 3.87138 33.7045 -10.9452 -16.5706 -13.9793 -11.0499 TIMING: 3760200 CPU: 11881.8, 0.003162/step Wall: 11881.8, 0.003162/step, 1.08896 hours remaining, 238.546875 MB of memory in use. ENERGY: 3760200 3948.2081 20394.0675 14500.0998 231.8205 -203243.7247 2539.5896 0.0000 0.0000 51962.1410 -109667.7982 298.6271 -161629.9392 -109300.9529 298.1703 -143.3427 -117.4190 764088.8930 -9.4715 -9.5203 LDB: ============= START OF LOAD BALANCING ============== 11894.4 LDB: ============== END OF LOAD BALANCING =============== 11894.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11894.4 LDB: ============= START OF LOAD BALANCING ============== 11894.7 LDB: Largest compute 7075 load 0.031994 is 16.4% of average load 0.195619 LDB: Average compute 0.004363 is 2.2% of average load 0.195619 LDB: TIME 11894.7 LOAD: AVG 0.195619 MAX 0.214534 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.824 MB LDB: TIME 11894.7 LOAD: AVG 0.195619 MAX 0.214534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.828 MB LDB: TIME 11894.7 LOAD: AVG 0.195619 MAX 0.214534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.828 MB LDB: ============== END OF LOAD BALANCING =============== 11894.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11894.7 PRESSURE: 3760400 -288.771 196.294 -102.148 196.294 30.5048 18.4268 -102.148 18.4274 125.573 GPRESSURE: 3760400 -136.029 120.677 -83.8371 256.068 -22.2085 -30.7982 -5.11375 -24.6927 116.789 PRESSAVG: 3760400 -43.6772 14.6083 16.6497 14.6083 26.1313 -13.0098 16.6497 -13.0097 -0.223729 GPRESSAVG: 3760400 -42.5263 14.5636 15.7081 15.9583 26.3286 -13.6857 17.1342 -12.7326 -1.06449 TIMING: 3760400 CPU: 11882.5, 0.00321632/step Wall: 11882.5, 0.00321632/step, 1.10749 hours remaining, 236.792969 MB of memory in use. ENERGY: 3760400 3922.4130 20362.0816 14365.7747 240.5321 -203570.5770 2723.7549 0.0000 0.0000 52149.2736 -109806.7471 299.7026 -161956.0207 -109448.7140 298.3101 -44.2313 -13.8164 761637.8738 -5.9232 -5.7541 PRESSURE: 3760600 -354.874 108.266 -77.4269 108.266 -297.016 15.724 -77.4267 15.7238 -441.267 GPRESSURE: 3760600 -417.325 36.5643 -35.9529 -65.9108 -174.949 32.3401 -65.2627 -0.715865 -416.452 PRESSAVG: 3760600 -35.8821 12.6363 -17.6365 12.6362 46.9718 -8.43442 -17.6365 -8.43452 5.6141 GPRESSAVG: 3760600 -35.5323 13.595 -17.962 11.7417 47.4178 -8.6737 -16.7518 -9.86428 4.61883 TIMING: 3760600 CPU: 11883.1, 0.00314728/step Wall: 11883.1, 0.00314728/step, 1.08354 hours remaining, 236.996094 MB of memory in use. ENERGY: 3760600 3953.9321 20604.9712 14413.5705 245.8779 -203187.9143 2292.4239 0.0000 0.0000 52013.1240 -109664.0148 298.9201 -161677.1388 -109317.5080 298.9214 -364.3855 -336.2417 761255.8909 5.5679 5.5014 PRESSURE: 3760800 68.5977 -42.8316 -84.745 -42.8318 -62.1155 144.737 -84.7444 144.736 -30.4502 GPRESSURE: 3760800 120.835 -95.6385 -156.453 -50.5934 -23.2173 166.45 21.2005 46.5972 -48.6321 PRESSAVG: 3760800 17.0297 -35.7328 -11.3675 -35.7328 29.2684 5.74673 -11.3674 5.74671 -20.5548 GPRESSAVG: 3760800 16.8325 -35.3763 -10.2711 -35.9989 29.1407 6.87577 -13.477 7.20601 -19.91 TIMING: 3760800 CPU: 11883.7, 0.00315066/step Wall: 11883.7, 0.00315066/step, 1.08453 hours remaining, 236.996094 MB of memory in use. ENERGY: 3760800 4012.9119 20464.2355 14427.4509 266.1761 -203153.9948 2544.8338 0.0000 0.0000 52003.8635 -109434.5231 298.8669 -161438.3867 -109073.2814 298.7948 -7.9893 16.3284 762980.2436 8.5811 8.6877 PRESSURE: 3761000 -291.894 143.683 -36.1442 143.682 -265.411 71.6922 -36.1443 71.6922 19.2229 GPRESSURE: 3761000 -227.526 70.4677 -97.3512 53.8809 -246.182 -31.8558 -41.3732 260.065 42.3929 PRESSAVG: 3761000 -11.1169 2.69174 -1.40584 2.69179 -28.2233 24.6472 -1.40583 24.6472 -1.12993 GPRESSAVG: 3761000 -11.3719 2.64507 -1.1094 1.09701 -27.9039 23.905 -0.448797 25.7946 -0.708567 TIMING: 3761000 CPU: 11884.4, 0.0031439/step Wall: 11884.4, 0.0031439/step, 1.08203 hours remaining, 236.996094 MB of memory in use. ENERGY: 3761000 4012.1789 20397.2550 14411.4064 227.6249 -202593.5413 2167.4708 0.0000 0.0000 52066.4168 -109311.1885 299.2264 -161377.6053 -108942.7972 298.3818 -179.3608 -143.7718 762128.2752 -13.4900 -13.3281 PRESSURE: 3761200 -123.103 97.3517 144.94 97.3508 56.853 -220.88 144.94 -220.879 31.444 GPRESSURE: 3761200 -86.9045 70.4527 192.663 26.9655 86.5669 -208.062 58.8809 -194.14 63.0086 PRESSAVG: 3761200 -51.093 17.5662 -37.2188 17.5662 82.4034 37.0211 -37.2188 37.0211 -24.1485 GPRESSAVG: 3761200 -52.7117 17.5765 -36.7018 18.58 82.5673 39.7713 -38.6756 37.5901 -22.815 TIMING: 3761200 CPU: 11885, 0.00316357/step Wall: 11885, 0.00316357/step, 1.08862 hours remaining, 236.996094 MB of memory in use. ENERGY: 3761200 3988.2849 20432.5200 14377.4212 250.1126 -203192.0501 2974.7826 0.0000 0.0000 52040.2990 -109128.6299 299.0763 -161168.9288 -108777.7899 299.0913 -11.6019 20.8903 763352.1584 2.3873 2.3468 PRESSURE: 3761400 -127.091 61.5345 -220.919 61.5353 6.09636 -27.3449 -220.92 -27.3461 -122.383 GPRESSURE: 3761400 -113.018 30.233 -177.116 87.93 61.2446 -15.7552 -312.615 -120.376 -86.8437 PRESSAVG: 3761400 24.6551 21.7424 -7.14071 21.7425 27.913 -23.6414 -7.14072 -23.6413 0.865578 GPRESSAVG: 3761400 24.7404 19.5637 -6.83367 22.7311 26.9678 -25.8938 -5.43358 -25.8273 1.60273 TIMING: 3761400 CPU: 11885.6, 0.00315472/step Wall: 11885.6, 0.00315472/step, 1.0854 hours remaining, 236.996094 MB of memory in use. ENERGY: 3761400 4037.8563 20458.6526 14364.4750 244.5420 -202962.1182 2555.5938 0.0000 0.0000 52033.4719 -109267.5265 299.0371 -161300.9984 -108919.4470 299.4548 -81.1258 -46.2056 760458.7113 17.8112 17.7703 PRESSURE: 3761600 -322.369 94.68 -44.6264 94.6803 66.5746 -37.352 -44.6267 -37.3509 -431.406 GPRESSURE: 3761600 -267.004 286.789 -54.0292 -20.246 -9.34004 -79.2975 -81.3926 -35.2883 -317.091 PRESSAVG: 3761600 -17.1538 60.461 -19.3099 60.4611 8.64126 -51.5489 -19.31 -51.5489 -7.77455 GPRESSAVG: 3761600 -17.2429 64.0675 -21.2429 58.6758 10.0684 -51.1933 -17.6427 -52.1168 -8.71543 TIMING: 3761600 CPU: 11886.3, 0.00315354/step Wall: 11886.3, 0.00315354/step, 1.08482 hours remaining, 236.996094 MB of memory in use. ENERGY: 3761600 4019.4383 20592.3543 14413.8410 257.8199 -203098.8344 2471.8972 0.0000 0.0000 52038.0963 -109305.3874 299.0637 -161343.4837 -108937.3800 299.4743 -229.0668 -197.8117 761274.9861 -5.4290 -5.2967 PRESSURE: 3761800 -475.689 76.8388 54.6695 76.839 -422.853 -88.3575 54.6697 -88.3578 -193.43 GPRESSURE: 3761800 -522.617 4.54093 35.0538 108.154 -331.616 -8.93114 -57.0508 -108.693 -161.9 PRESSAVG: 3761800 -112.797 -1.69333 87.7715 -1.69335 117.507 5.55344 87.7715 5.55348 2.72051 GPRESSAVG: 3761800 -112.411 -6.51926 88.3517 -0.11934 118.679 5.16225 86.0058 6.4565 1.2548 TIMING: 3761800 CPU: 11886.9, 0.0031626/step Wall: 11886.9, 0.0031626/step, 1.08776 hours remaining, 236.996094 MB of memory in use. ENERGY: 3761800 4073.9490 20519.7463 14405.0701 242.5315 -202955.1848 2398.1388 0.0000 0.0000 51981.3670 -109334.3822 298.7376 -161315.7492 -108976.6262 299.3974 -363.9910 -338.7110 762588.8112 2.4766 2.5076 PRESSURE: 3762000 -197.096 -34.0937 -310.564 -34.0932 109.267 -48.8087 -310.564 -48.8077 -141.473 GPRESSURE: 3762000 -139.647 26.9182 -243.455 -80.1127 77.9502 7.33787 -351.161 -221.993 -81.0412 PRESSAVG: 3762000 -49.8817 -40.802 -17.583 -40.802 25.1895 -21.1421 -17.583 -21.1421 -4.18929 GPRESSAVG: 3762000 -50.4881 -37.8658 -16.8709 -41.5898 24.145 -21.1596 -17.1668 -21.3572 -2.21371 TIMING: 3762000 CPU: 11887.5, 0.00314958/step Wall: 11887.5, 0.00314958/step, 1.08311 hours remaining, 236.996094 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: 3762000 4073.8053 20351.5315 14407.9007 237.0154 -203098.6700 2518.4829 0.0000 0.0000 52111.4868 -109398.4473 299.4854 -161509.9341 -109036.1206 298.9512 -76.4340 -47.5792 761229.0025 -9.6272 -9.5190 PRESSURE: 3762200 8.13124 -180.318 12.2583 -180.317 171.605 87.6193 12.2587 87.6194 236.014 GPRESSURE: 3762200 80.9711 -131.029 -34.1373 -94.2239 162.436 115.334 13.874 -27.4417 278.145 PRESSAVG: 3762200 -28.1228 -16.7994 -27.5679 -16.7994 34.6972 15.2389 -27.5679 15.2389 25.811 GPRESSAVG: 3762200 -27.5021 -15.3199 -29.2367 -17.494 35.403 15.0405 -28.0587 15.7155 24.4657 TIMING: 3762200 CPU: 11888.2, 0.00315373/step Wall: 11888.2, 0.00315373/step, 1.08436 hours remaining, 236.996094 MB of memory in use. ENERGY: 3762200 4007.3763 20471.2505 14439.1789 223.8843 -203605.8233 2878.9877 0.0000 0.0000 52173.3131 -109411.8325 299.8407 -161585.1456 -109061.6463 299.4734 138.5834 173.8508 759264.4884 10.7951 10.7889 PRESSURE: 3762400 294.041 -16.0885 -171.586 -16.0894 -29.3996 -56.3451 -171.585 -56.3465 -195.458 GPRESSURE: 3762400 280.262 -52.2782 -166.853 -24.4452 68.2675 -129.791 -67.3837 -161.921 -190.692 PRESSAVG: 3762400 -23.6989 -29.5034 14.9302 -29.5034 60.0052 -27.767 14.9302 -27.7669 6.30645 GPRESSAVG: 3762400 -21.7501 -31.7781 16.3486 -29.3627 58.3552 -27.6793 16.6443 -28.7752 6.45242 TIMING: 3762400 CPU: 11888.8, 0.00316341/step Wall: 11888.8, 0.00316341/step, 1.08751 hours remaining, 236.996094 MB of memory in use. ENERGY: 3762400 4001.6794 20650.2395 14316.3198 243.1112 -203064.6223 2503.2943 0.0000 0.0000 52090.9594 -109259.0187 299.3675 -161349.9781 -108905.2250 299.9208 23.0610 52.6125 760339.3041 14.2043 14.3525 PRESSURE: 3762600 -208.666 -129.322 29.8997 -129.321 150.144 92.5696 29.9001 92.5696 -41.195 GPRESSURE: 3762600 -170.146 -8.11785 -22.1599 -124.198 242.616 75.6596 98.2903 9.67237 -81.0227 PRESSAVG: 3762600 -39.1748 -20.4783 20.6376 -20.4782 -0.602613 13.7448 20.6375 13.7447 -6.78889 GPRESSAVG: 3762600 -41.4569 -18.6963 20.7067 -18.654 1.00719 14.7884 21.4544 15.6948 -6.86483 TIMING: 3762600 CPU: 11889.4, 0.00314055/step Wall: 11889.4, 0.00314055/step, 1.07948 hours remaining, 236.996094 MB of memory in use. ENERGY: 3762600 4092.8556 20615.3152 14405.2865 243.9364 -203404.9498 2531.0580 0.0000 0.0000 52233.7241 -109282.7740 300.1879 -161516.4981 -108921.1948 299.7159 -33.2390 -2.8508 761333.3888 -15.5221 -15.7715 PRESSURE: 3762800 -331.949 153.237 71.9847 153.237 165.179 13.9369 71.9848 13.9375 -331.731 GPRESSURE: 3762800 -295.008 165.571 136.994 244.642 148.689 -103.169 -39.5308 -13.8651 -274.984 PRESSAVG: 3762800 -15.5822 -25.4084 -5.06447 -25.4083 15.6382 -44.0292 -5.06446 -44.0291 1.08895 GPRESSAVG: 3762800 -16.9639 -26.6718 -4.00531 -27.0714 15.7452 -44.9897 -7.3902 -45.3176 1.76973 TIMING: 3762800 CPU: 11890, 0.00314606/step Wall: 11890, 0.00314606/step, 1.0812 hours remaining, 236.996094 MB of memory in use. ENERGY: 3762800 4042.2080 20619.5171 14388.3948 246.6905 -203356.0974 2578.1385 0.0000 0.0000 52158.3808 -109322.7678 299.7549 -161481.1486 -108957.4573 299.7276 -166.1669 -140.4345 762383.8935 0.3816 0.1837 PRESSURE: 3763000 -160.691 124.168 10.0463 124.167 -399.721 25.3437 10.0456 25.3431 -309.685 GPRESSURE: 3763000 -132.032 -49.4305 80.368 118.275 -357.449 10.7402 -2.18971 33.5573 -307.881 PRESSAVG: 3763000 -24.0367 13.9403 -28.5789 13.9403 32.0946 -8.00591 -28.5789 -8.00596 21.9591 GPRESSAVG: 3763000 -23.3002 14.3263 -30.2209 14.1643 31.388 -6.6257 -28.0668 -9.81078 21.6426 TIMING: 3763000 CPU: 11890.7, 0.00315534/step Wall: 11890.7, 0.00315534/step, 1.08421 hours remaining, 236.996094 MB of memory in use. ENERGY: 3763000 4005.3124 20581.3386 14410.0604 242.5402 -203319.0313 2460.9518 0.0000 0.0000 52175.2562 -109443.5717 299.8519 -161618.8278 -109074.9478 299.5366 -290.0325 -265.7872 760738.8843 10.0057 9.9101 PRESSURE: 3763200 308.948 -149.255 13.9014 -149.256 525.283 -59.9361 13.9017 -59.9361 314.357 GPRESSURE: 3763200 363.283 -129.968 67.3522 -204.588 527.451 -2.7219 -110.561 66.138 359.02 PRESSAVG: 3763200 -12.2361 -43.7644 -7.07238 -43.7644 60.4869 40.8769 -7.07237 40.8769 -2.47687 GPRESSAVG: 3763200 -12.6604 -43.9093 -7.30044 -42.807 60.4893 40.2366 -7.6828 42.2816 -2.36849 TIMING: 3763200 CPU: 11891.3, 0.00315196/step Wall: 11891.3, 0.00315196/step, 1.08287 hours remaining, 236.996094 MB of memory in use. ENERGY: 3763200 3882.6937 20627.8362 14495.2752 242.6480 -204197.5975 3190.0908 0.0000 0.0000 52260.1112 -109498.9423 300.3396 -161759.0535 -109137.4200 299.5192 382.8626 416.5848 761378.7517 15.2580 15.1535 PRESSURE: 3763400 -139.907 -99.0729 6.22117 -99.0731 61.6076 -177.167 6.22051 -177.168 85.6642 GPRESSURE: 3763400 -190.407 -120.896 19.2219 -129.235 141.408 -83.7204 17.1457 -274.136 135.262 PRESSAVG: 3763400 -30.817 -33.947 18.9148 -33.947 42.0527 16.7681 18.9148 16.7681 -19.0413 GPRESSAVG: 3763400 -31.3372 -34.951 19.9926 -32.8269 41.7592 16.6651 18.0672 14.9925 -18.3002 TIMING: 3763400 CPU: 11891.9, 0.0031559/step Wall: 11891.9, 0.0031559/step, 1.08405 hours remaining, 236.996094 MB of memory in use. ENERGY: 3763400 4011.2762 20527.3952 14391.6364 254.0793 -203203.5096 2495.9660 0.0000 0.0000 52119.4628 -109403.6936 299.5313 -161523.1564 -109039.7043 299.0342 2.4550 28.7543 760858.2086 -2.6019 -2.6261 PRESSURE: 3763600 101.323 107.08 154.291 107.08 90.0834 142.348 154.291 142.347 -131.521 GPRESSURE: 3763600 121.187 93.8127 36.5427 141.741 177.632 147.745 198.863 238.77 -144.317 PRESSAVG: 3763600 -14.4278 -44.2003 -16.6921 -44.2004 49.3055 -24.7864 -16.6921 -24.7864 7.56484 GPRESSAVG: 3763600 -14.2744 -42.2437 -18.1143 -46.1788 49.7923 -26.1864 -14.3731 -21.165 6.91455 TIMING: 3763600 CPU: 11892.6, 0.00316426/step Wall: 11892.6, 0.00316426/step, 1.08675 hours remaining, 236.996094 MB of memory in use. ENERGY: 3763600 4009.0382 20489.7460 14358.6812 243.3764 -203104.2495 2439.9865 0.0000 0.0000 51912.6416 -109650.7797 298.3427 -161563.4212 -109270.1128 299.2795 19.9619 51.5008 762526.8678 14.1475 14.1441 PRESSURE: 3763800 -240.374 -16.1388 -43.2754 -16.139 19.8404 85.6971 -43.2758 85.698 538.004 GPRESSURE: 3763800 -165.368 -83.3074 -18.6004 -82.5129 8.21685 92.378 -21.4855 6.39781 565.633 PRESSAVG: 3763800 -53.9978 -54.4407 -17.8809 -54.4407 50.0845 21.2107 -17.881 21.2108 -2.1396 GPRESSAVG: 3763800 -53.0646 -57.6987 -16.3907 -52.2148 48.8328 22.7838 -19.0466 18.3314 -2.04916 TIMING: 3763800 CPU: 11893.2, 0.00316025/step Wall: 11893.2, 0.00316025/step, 1.08519 hours remaining, 236.996094 MB of memory in use. ENERGY: 3763800 4035.3194 20640.3809 14404.7593 251.2934 -203499.5754 2421.2048 0.0000 0.0000 52143.4168 -109603.2008 299.6689 -161746.6177 -109245.6801 299.2474 105.8236 136.1608 760780.0948 -2.0176 -2.0937 PRESSURE: 3764000 -315.816 -89.5176 -16.9358 -89.5169 -181.423 1.4428 -16.9354 1.44277 -422.088 GPRESSURE: 3764000 -317.161 -53.0044 21.8591 23.8664 -110.57 -50.2019 30.7389 16.5852 -411.681 PRESSAVG: 3764000 -40.42 -50.2859 9.26523 -50.2859 7.99765 7.03615 9.26521 7.03623 8.24733 GPRESSAVG: 3764000 -40.2181 -47.7539 8.53051 -51.6193 8.90945 7.36591 9.50175 8.02739 7.87613 TIMING: 3764000 CPU: 11893.8, 0.00315236/step Wall: 11893.8, 0.00315235/step, 1.08231 hours remaining, 236.996094 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: 3764000 4063.8192 20669.1201 14342.9884 237.4270 -203127.2473 2279.1885 0.0000 0.0000 51974.4458 -109560.2584 298.6979 -161534.7041 -109211.5347 299.0062 -306.4421 -279.8038 762161.4050 -8.0583 -7.8108 PRESSURE: 3764200 113.533 6.59778 92.1437 6.59746 332.92 -125.374 92.1439 -125.374 180.018 GPRESSURE: 3764200 92.794 40.5907 9.21639 -4.96737 374.485 -118.476 145.767 -134.73 235.841 PRESSAVG: 3764200 -19.5433 -2.11904 3.08151 -2.119 6.51087 30.4402 3.08148 30.4403 -3.77368 GPRESSAVG: 3764200 -19.5299 -3.17512 1.41339 -1.0594 5.27709 29.5571 4.97748 30.6479 -3.0478 TIMING: 3764200 CPU: 11894.5, 0.00314653/step Wall: 11894.5, 0.00314653/step, 1.08013 hours remaining, 236.996094 MB of memory in use. ENERGY: 3764200 4017.5191 20671.9456 14429.9657 248.8167 -203349.4135 2452.7556 0.0000 0.0000 52144.9721 -109383.4386 299.6779 -161528.4108 -109021.9360 298.8328 208.8238 234.3732 759908.0545 -5.6020 -5.7669 LDB: ============= START OF LOAD BALANCING ============== 11907 LDB: ============== END OF LOAD BALANCING =============== 11907 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11907 LDB: ============= START OF LOAD BALANCING ============== 11907.3 LDB: Largest compute 7076 load 0.031596 is 16.2% of average load 0.195576 LDB: Average compute 0.004393 is 2.2% of average load 0.195576 LDB: TIME 11907.3 LOAD: AVG 0.195576 MAX 0.21555 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.449 MB LDB: TIME 11907.3 LOAD: AVG 0.195576 MAX 0.21555 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: TIME 11907.3 LOAD: AVG 0.195576 MAX 0.21555 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.652 MB LDB: ============== END OF LOAD BALANCING =============== 11907.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 11907.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 3764400 75.6227 -106.28 114.392 -106.28 -274.361 -16.6418 114.391 -16.642 -17.5125 GPRESSURE: 3764400 66.8125 -103.795 145.23 -149.562 -181.226 -66.2504 124.846 -49.0146 -13.6437 PRESSAVG: 3764400 -24.7597 13.3759 -5.82188 13.376 18.7755 44.6091 -5.82198 44.6091 -11.7634 GPRESSAVG: 3764400 -24.9175 12.9391 -2.8318 10.6321 19.6576 44.0332 -9.01959 44.6173 -12.0793 TIMING: 3764400 CPU: 11895.1, 0.00323149/step Wall: 11895.1, 0.00323149/step, 1.10912 hours remaining, 236.949219 MB of memory in use. ENERGY: 3764400 3977.2671 20501.3148 14478.3651 239.7456 -202959.2483 2039.3105 0.0000 0.0000 52297.9192 -109425.3259 300.5569 -161723.2452 -109049.7007 299.4807 -72.0837 -42.6859 762133.8955 -5.9159 -5.7797 PRESSURE: 3764600 -353.012 -99.3456 120.359 -99.3454 -230.669 24.2397 120.359 24.2387 -328.729 GPRESSURE: 3764600 -412.681 -109.335 134.638 -51.9581 -129.403 84.6985 6.46234 92.6256 -285.463 PRESSAVG: 3764600 21.4451 -15.2473 -0.332807 -15.2473 10.4493 9.39923 -0.332763 9.39931 -15.9781 GPRESSAVG: 3764600 20.7175 -14.8682 -2.83476 -12.9795 10.8273 8.63938 1.16435 10.5589 -15.6569 TIMING: 3764600 CPU: 11895.7, 0.0031609/step Wall: 11895.7, 0.0031609/step, 1.08471 hours remaining, 237.332031 MB of memory in use. ENERGY: 3764600 4016.2616 20655.4857 14437.6739 249.3689 -203756.2191 2641.2247 0.0000 0.0000 52285.0893 -109471.1150 300.4831 -161756.2042 -109107.1429 299.4064 -304.1366 -275.8489 760786.7141 5.3054 5.2960 PRESSURE: 3764800 -92.9039 24.7533 113.061 24.7533 62.8986 94.8679 113.061 94.8686 -98.5621 GPRESSURE: 3764800 -104.071 -38.2507 73.9662 -75.8294 153.554 69.836 139.872 160.444 -84.2314 PRESSAVG: 3764800 8.20148 -22.328 52.9452 -22.328 6.08225 -9.993 52.9452 -9.99298 1.13521 GPRESSAVG: 3764800 8.28934 -20.8917 54.9106 -23.6107 6.7233 -9.00728 51.4465 -9.7305 0.279246 TIMING: 3764800 CPU: 11896.4, 0.00313747/step Wall: 11896.4, 0.00313747/step, 1.0765 hours remaining, 237.332031 MB of memory in use. ENERGY: 3764800 3954.7918 20514.8875 14418.2221 260.5834 -203145.0854 2313.7787 0.0000 0.0000 52115.6154 -109567.2066 299.5092 -161682.8220 -109194.4417 299.5676 -42.8558 -11.5828 762473.1171 5.1396 5.0973 PRESSURE: 3765000 -76.7863 -102.762 278.798 -102.761 132.297 11.8282 278.798 11.8274 156.315 GPRESSURE: 3765000 -134.699 -241.724 279.021 -65.6265 329.145 1.60171 154.453 64.064 94.0192 PRESSAVG: 3765000 10.3066 -50.7142 42.8561 -50.7143 16.7608 13.8282 42.856 13.8282 -16.8095 GPRESSAVG: 3765000 11.0519 -51.3295 40.9412 -52.0742 15.2917 14.082 43.7875 13.3308 -16.948 TIMING: 3765000 CPU: 11897, 0.00316292/step Wall: 11897, 0.00316292/step, 1.08506 hours remaining, 237.332031 MB of memory in use. ENERGY: 3765000 4042.5377 20559.9457 14455.9810 265.7595 -203571.8896 2867.3609 0.0000 0.0000 52015.0843 -109365.2204 298.9314 -161380.3048 -109005.6083 299.1263 70.6087 96.1551 762453.8910 3.4193 3.1319 PRESSURE: 3765200 -272.232 -113.283 -102.346 -113.282 -343.99 87.8664 -102.346 87.8659 -270.886 GPRESSURE: 3765200 -323.62 -59.4083 -113.157 -134.843 -221.977 101.673 -50.3847 -55.9322 -281.402 PRESSAVG: 3765200 2.87309 -15.7098 28.3815 -15.7097 26.1587 -12.3867 28.3815 -12.3867 14.5137 GPRESSAVG: 3765200 2.83381 -17.4648 29.8806 -13.5306 26.6661 -11.2251 28.1731 -13.9523 14.0946 TIMING: 3765200 CPU: 11897.6, 0.00315686/step Wall: 11897.6, 0.00315686/step, 1.0828 hours remaining, 237.332031 MB of memory in use. ENERGY: 3765200 4027.1732 20605.7944 14449.4085 250.4550 -202760.6047 2120.5663 0.0000 0.0000 52083.6630 -109223.5444 299.3255 -161307.2074 -108861.3603 299.1915 -295.7027 -275.6661 764929.4786 14.5151 14.5315 PRESSURE: 3765400 29.4639 -82.6615 -90.4107 -82.661 179.705 -195.096 -90.4102 -195.095 7.76362 GPRESSURE: 3765400 135.547 -37.6344 -104.082 -37.4705 178.043 -54.7095 -134.624 -234.752 -7.76094 PRESSAVG: 3765400 9.97313 -34.8902 -6.31774 -34.8902 -36.9291 32.8534 -6.31772 32.8533 -21.3593 GPRESSAVG: 3765400 8.78679 -34.7991 -7.49852 -34.9839 -35.9674 32.5272 -5.62728 33.5055 -20.5178 TIMING: 3765400 CPU: 11898.3, 0.00316728/step Wall: 11898.3, 0.00316728/step, 1.0862 hours remaining, 237.332031 MB of memory in use. ENERGY: 3765400 4023.0463 20494.3058 14383.1307 264.8842 -203138.2096 2625.5024 0.0000 0.0000 52055.1552 -109292.1851 299.1617 -161347.3403 -108924.7642 299.1993 72.3107 101.9431 763546.8657 -16.1051 -15.8994 PRESSURE: 3765600 -305.489 -72.2181 43.0484 -72.2174 -157.425 -72.9467 43.0481 -72.9478 -408.85 GPRESSURE: 3765600 -281.76 0.201755 -25.1496 -80.1551 -175.265 -136.155 126.123 -43.4384 -330.571 PRESSAVG: 3765600 -10.4468 -7.81599 33.2798 -7.81599 0.762682 70.7716 33.2798 70.7715 8.36512 GPRESSAVG: 3765600 -9.40076 -7.54441 34.8077 -8.96261 -0.850855 70.3571 30.7914 70.1141 8.45788 TIMING: 3765600 CPU: 11898.9, 0.00317932/step Wall: 11898.9, 0.00317932/step, 1.09015 hours remaining, 237.332031 MB of memory in use. ENERGY: 3765600 3981.5924 20532.4215 14405.4662 258.4521 -203115.9225 2360.7913 0.0000 0.0000 52268.5299 -109308.6692 300.3880 -161577.1991 -108943.5737 299.1474 -290.5882 -262.5320 763734.1877 -0.4397 -0.5979 PRESSURE: 3765800 391.441 -272.728 228.469 -272.729 289.168 68.5186 228.469 68.5179 43.3507 GPRESSURE: 3765800 470.257 -253.354 197.63 -220.784 225.582 85.5922 117.452 15.6136 104.824 PRESSAVG: 3765800 59.8058 -29.8759 47.5086 -29.8759 -25.3563 40.3325 47.5086 40.3325 1.51095 GPRESSAVG: 3765800 59.2306 -29.3447 45.55 -28.2056 -24.6774 41.2774 52.4329 40.0079 0.825697 TIMING: 3765800 CPU: 11899.5, 0.00316864/step Wall: 11899.5, 0.00316864/step, 1.08631 hours remaining, 237.332031 MB of memory in use. ENERGY: 3765800 3916.1430 20562.5041 14440.2833 240.5719 -203538.6808 2599.6340 0.0000 0.0000 52270.3710 -109509.1735 300.3985 -161779.5445 -109144.5112 299.7216 241.3202 266.8874 760657.3539 11.9868 11.7930 PRESSURE: 3766000 -489.517 -187.535 -11.2798 -187.535 144.61 50.2693 -11.2793 50.2693 -329.709 GPRESSURE: 3766000 -461.45 -157.009 -32.8601 -99.2963 165.344 18.1852 4.40302 99.974 -282.19 PRESSAVG: 3766000 9.96311 32.0052 24.9227 32.0053 -31.7709 24.4667 24.9227 24.4667 7.65162 GPRESSAVG: 3766000 10.278 30.9348 26.9778 32.825 -31.667 23.8063 20.2658 24.4092 7.30242 TIMING: 3766000 CPU: 11900.2, 0.00316529/step Wall: 11900.2, 0.00316529/step, 1.08499 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: 3766000 4018.9110 20383.0734 14433.9902 244.9319 -203144.5003 2561.5501 0.0000 0.0000 51890.0492 -109611.9945 298.2128 -161502.0438 -109256.4647 299.0256 -224.8720 -192.7651 763972.3729 -4.7187 -4.6955 PRESSURE: 3766200 47.1166 -31.7513 -76.0683 -31.7514 100.106 13.591 -76.0694 13.5898 -152.463 GPRESSURE: 3766200 68.0442 -41.1005 -75.536 -106.54 125.622 -43.0872 16.655 117.944 -107.541 PRESSAVG: 3766200 -51.2494 25.9728 33.5939 25.9727 11.7659 -5.00914 33.5939 -5.00913 -30.9642 GPRESSAVG: 3766200 -52.1758 27.5157 33.3265 22.1558 12.5629 -5.12984 35.2021 -2.86496 -30.5231 TIMING: 3766200 CPU: 11900.8, 0.00315283/step Wall: 11900.8, 0.00315283/step, 1.08055 hours remaining, 237.332031 MB of memory in use. ENERGY: 3766200 3982.3299 20493.8656 14440.4517 245.3319 -203364.4406 2552.4208 0.0000 0.0000 51922.4377 -109727.6032 298.3990 -161650.0408 -109371.0205 298.3799 -1.7469 28.7083 762829.6377 -23.4826 -23.3787 PRESSURE: 3766400 263.757 -133.841 -66.0107 -133.841 -227.372 85.225 -66.011 85.2253 261.798 GPRESSURE: 3766400 315.145 -309.74 -84.6258 -125.753 -96.1344 75.7895 -57.0062 66.8744 169.331 PRESSAVG: 3766400 -26.0597 -33.7305 -12.2629 -33.7304 13.5725 -0.249143 -12.2629 -0.249233 2.59007 GPRESSAVG: 3766400 -25.2502 -34.0602 -13.2259 -31.859 12.9796 -0.757957 -12.7436 -1.72112 2.82228 TIMING: 3766400 CPU: 11901.4, 0.00316722/step Wall: 11901.4, 0.00316722/step, 1.0853 hours remaining, 237.332031 MB of memory in use. ENERGY: 3766400 3960.0771 20356.8140 14468.7249 238.8072 -203181.8278 2314.3415 0.0000 0.0000 51972.9733 -109870.0898 298.6894 -161843.0631 -109499.4352 298.1300 99.3944 129.4470 760026.3678 -3.2990 -3.1494 PRESSURE: 3766600 20.3211 -33.2827 124.268 -33.2826 -26.0565 89.5822 124.268 89.5831 -218.052 GPRESSURE: 3766600 84.7372 -54.1156 147.856 -6.59621 -40.274 80.8008 142.44 -92.4585 -181.032 PRESSAVG: 3766600 -0.856894 -22.4456 39.5053 -22.4456 -17.2984 15.475 39.5053 15.4749 4.37648 GPRESSAVG: 3766600 -1.48582 -20.4122 39.386 -23.5696 -16.775 15.7668 40.3595 13.7018 4.61558 TIMING: 3766600 CPU: 11902.1, 0.00315853/step Wall: 11902.1, 0.00315853/step, 1.08215 hours remaining, 237.410156 MB of memory in use. ENERGY: 3766600 4012.4036 20503.1271 14508.1205 250.6867 -203694.3204 2576.5269 0.0000 0.0000 52147.8193 -109695.6364 299.6942 -161843.4557 -109329.1848 298.8957 -74.5959 -45.5228 759829.8713 -4.5929 -4.5484 PRESSURE: 3766800 -223.586 11.6721 -33.3496 11.671 -137.713 -162.346 -33.3509 -162.344 -172.981 GPRESSURE: 3766800 -276.954 -34.8622 43.4267 116.633 -69.8476 -122.862 -44.6904 -112.152 -100.662 PRESSAVG: 3766800 26.7153 -71.1166 9.65022 -71.1166 -22.7031 -29.6393 9.65028 -29.6393 7.15062 GPRESSAVG: 3766800 27.4075 -72.6777 10.497 -69.9428 -23.109 -29.6449 10.7052 -27.2138 7.23929 TIMING: 3766800 CPU: 11902.7, 0.00315575/step Wall: 11902.7, 0.00315575/step, 1.08102 hours remaining, 237.410156 MB of memory in use. ENERGY: 3766800 3920.1165 20457.2331 14435.1801 239.7081 -203165.4341 2490.3411 0.0000 0.0000 52027.9460 -109594.9092 299.0053 -161622.8552 -109231.0317 298.8474 -178.0934 -149.1543 761380.3836 3.7209 3.8459 PRESSURE: 3767000 113.717 114.989 -14.5842 114.989 -146.367 -95.9673 -14.5836 -95.9673 118.608 GPRESSURE: 3767000 174.632 165.026 -27.3982 132.158 -102.189 -66.8731 17.3753 -182.427 83.6134 PRESSAVG: 3767000 -25.885 21.8562 -23.7366 21.8561 14.7004 -35.5963 -23.7366 -35.5962 -1.49761 GPRESSAVG: 3767000 -26.6287 22.7889 -23.6231 20.5477 15.5946 -37.5699 -27.6831 -34.531 -1.73361 TIMING: 3767000 CPU: 11903.3, 0.00315299/step Wall: 11903.3, 0.00315299/step, 1.0799 hours remaining, 237.410156 MB of memory in use. ENERGY: 3767000 3907.3187 20489.0543 14426.6045 250.0648 -203559.4750 2727.1617 0.0000 0.0000 52056.7203 -109702.5507 299.1707 -161759.2709 -109341.2591 298.8916 28.6526 52.0191 761626.2160 -4.2274 -4.2559 PRESSURE: 3767200 144.891 -9.32475 43.4681 -9.32405 -142.665 17.0257 43.4674 17.0262 135.043 GPRESSURE: 3767200 105.084 2.50882 18.1237 115.409 -105.275 55.1521 30.7824 55.2336 211.238 PRESSAVG: 3767200 -33.0745 -1.81364 44.574 -1.81365 0.402787 -13.8822 44.5741 -13.8821 -1.13475 GPRESSAVG: 3767200 -33.1151 -2.84065 44.5842 -1.55847 -0.335514 -11.6796 47.0219 -16.5872 -0.137347 TIMING: 3767200 CPU: 11904, 0.00316206/step Wall: 11904, 0.00316206/step, 1.08283 hours remaining, 237.410156 MB of memory in use. ENERGY: 3767200 3913.2014 20456.9264 14409.8358 260.7039 -203212.0781 2318.2638 0.0000 0.0000 52144.1909 -109708.9558 299.6734 -161853.1467 -109335.7431 298.5873 45.7567 70.3492 763167.3526 -11.2688 -11.1960 PRESSURE: 3767400 -203.34 251.025 -97.9859 251.025 -4.68858 75.1076 -97.986 75.1072 -158.789 GPRESSURE: 3767400 -171.643 140.594 -61.2942 272.688 56.6359 79.87 -100.386 -32.3272 -149.765 PRESSAVG: 3767400 -32.9323 0.243891 6.41819 0.243909 20.9446 -39.3514 6.41818 -39.3514 -8.64192 GPRESSAVG: 3767400 -32.3578 2.93463 3.12613 -0.358359 20.8371 -38.0664 7.07728 -40.2523 -9.03984 TIMING: 3767400 CPU: 11904.6, 0.00316105/step Wall: 11904.6, 0.00316105/step, 1.08231 hours remaining, 237.410156 MB of memory in use. ENERGY: 3767400 3878.6514 20529.1324 14459.7570 239.0152 -203368.2094 2659.8266 0.0000 0.0000 51842.9233 -109758.9035 297.9420 -161601.8268 -109394.3252 298.3642 -122.2724 -88.2574 761963.8495 -6.8765 -6.8535 PRESSURE: 3767600 -225.438 -146.523 29.6766 -146.523 310.838 32.6029 29.6757 32.6029 -108.836 GPRESSURE: 3767600 -200.723 -35.707 131.296 -174.804 384.265 104.117 30.5611 78.3379 -135.402 PRESSAVG: 3767600 -43.9999 -29.0868 54.9502 -29.0868 42.4621 30.3235 54.9502 30.3234 2.63156 GPRESSAVG: 3767600 -43.089 -28.9555 57.7482 -29.3927 42.9711 27.5422 53.5273 31.5923 0.951433 TIMING: 3767600 CPU: 11905.2, 0.00315099/step Wall: 11905.2, 0.00315099/step, 1.07869 hours remaining, 237.410156 MB of memory in use. ENERGY: 3767600 4005.6184 20553.4214 14415.5708 235.5539 -203061.6431 2241.7628 0.0000 0.0000 52071.3385 -109538.3773 299.2547 -161609.7158 -109179.9517 298.7115 -7.8120 16.0466 761572.1280 0.3646 0.2778 PRESSURE: 3767800 -335.145 3.24194 130.277 3.24142 -260.172 163.846 130.277 163.846 -450.223 GPRESSURE: 3767800 -250.251 10.9183 196.991 -17.9573 -254.607 219.645 36.5957 164.586 -454.891 PRESSAVG: 3767800 46.4926 28.0059 39.6771 28.0059 -30.2328 16.5213 39.6771 16.5212 -19.7433 GPRESSAVG: 3767800 45.6275 26.9019 41.1975 27.6906 -30.9866 19.0042 39.2788 15.6811 -17.6917 TIMING: 3767800 CPU: 11905.9, 0.00316384/step Wall: 11905.9, 0.00316384/step, 1.08291 hours remaining, 237.410156 MB of memory in use. ENERGY: 3767800 3953.0226 20518.5940 14482.7157 252.7136 -203458.9764 2513.9713 0.0000 0.0000 51983.3482 -109754.6111 298.7490 -161737.9593 -109400.3918 298.6512 -348.5134 -319.9166 763802.8982 -1.1612 -1.0169 PRESSURE: 3768000 -129.025 89.7334 73.1441 89.7334 -25.8543 66.0173 73.1439 66.0173 -81.3166 GPRESSURE: 3768000 -102.552 -10.4854 43.0878 125.204 -30.5423 3.30546 154.327 47.0379 -21.5274 PRESSAVG: 3768000 -9.96845 6.70011 35.5275 6.70012 21.5854 -1.96751 35.5275 -1.96763 -0.139204 GPRESSAVG: 3768000 -9.60565 5.99335 33.4771 8.98261 21.6152 -3.43046 37.7782 0.108105 -0.694125 TIMING: 3768000 CPU: 11906.5, 0.00316181/step Wall: 11906.5, 0.00316181/step, 1.08204 hours remaining, 237.410156 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: 3768000 3960.7787 20472.5926 14500.1877 246.1086 -203262.0201 2456.9229 0.0000 0.0000 51915.9724 -109709.4572 298.3618 -161625.4296 -109339.8769 298.9037 -78.7319 -51.5407 762494.9532 3.8259 3.7718 PRESSURE: 3768200 197.944 -3.53287 -293.314 -3.53243 86.945 104.234 -293.314 104.234 -135.976 GPRESSURE: 3768200 255.627 -93.9759 -299.571 -16.5852 118.482 63.5416 -238.21 -75.02 -117.355 PRESSAVG: 3768200 9.94466 -23.1415 -63.7551 -23.1415 17.2288 25.6019 -63.7551 25.602 -3.25941 GPRESSAVG: 3768200 10.0493 -22.7202 -63.0285 -22.3111 17.622 26.8947 -66.4903 21.6362 -4.16623 TIMING: 3768200 CPU: 11907.1, 0.00316112/step Wall: 11907.1, 0.00316112/step, 1.08163 hours remaining, 237.410156 MB of memory in use. ENERGY: 3768200 3997.7236 20494.7112 14423.9561 248.3793 -203602.1789 2814.8833 0.0000 0.0000 51911.1481 -109711.3772 298.3341 -161622.5253 -109359.4182 298.4215 49.6378 85.5848 761274.3954 7.9713 7.8350 LDB: ============= START OF LOAD BALANCING ============== 11919.7 LDB: ============== END OF LOAD BALANCING =============== 11919.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11919.7 LDB: ============= START OF LOAD BALANCING ============== 11920 LDB: Largest compute 7075 load 0.033391 is 17.1% of average load 0.195610 LDB: Average compute 0.004393 is 2.2% of average load 0.195610 LDB: TIME 11920 LOAD: AVG 0.19561 MAX 0.213652 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.688 MB LDB: TIME 11920 LOAD: AVG 0.19561 MAX 0.213652 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.688 MB LDB: TIME 11920 LOAD: AVG 0.19561 MAX 0.213652 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.688 MB LDB: ============== END OF LOAD BALANCING =============== 11920 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11920 PRESSURE: 3768400 -156.159 -345.428 185.11 -345.427 125.688 -208.028 185.111 -208.029 -163.048 GPRESSURE: 3768400 -127.357 -209.772 207.233 -305.456 164.928 -194.05 170.486 -230.673 -129.919 PRESSAVG: 3768400 -13.9471 -46.8948 -65.1866 -46.8948 43.0588 -19.9679 -65.1866 -19.9678 0.496408 GPRESSAVG: 3768400 -14.7822 -47.2767 -65.0368 -50.1629 43.589 -20.2037 -63.1892 -16.9994 1.36101 TIMING: 3768400 CPU: 11907.8, 0.00321886/step Wall: 11907.8, 0.00321886/step, 1.10121 hours remaining, 237.828125 MB of memory in use. ENERGY: 3768400 3971.7021 20556.6399 14413.3149 263.2680 -203772.1756 2899.5901 0.0000 0.0000 51808.0434 -109859.6171 297.7415 -161667.6605 -109504.5906 298.4960 -64.5063 -30.7825 761141.0130 9.8694 10.0559 PRESSURE: 3768600 -39.9409 337.529 -29.5644 337.528 -364.623 116.764 -29.5644 116.764 77.7756 GPRESSURE: 3768600 -41.3847 228.673 -21.277 287.127 -234.534 73.9349 -26.0316 135.724 23.8355 PRESSAVG: 3768600 -55.0654 8.13626 -2.03941 8.13614 10.5029 -64.2334 -2.0394 -64.2335 17.2282 GPRESSAVG: 3768600 -55.0118 7.73872 -1.58664 10.2666 11.4113 -64.5114 -2.15858 -63.8042 16.4736 TIMING: 3768600 CPU: 11908.4, 0.00316248/step Wall: 11908.4, 0.00316248/step, 1.08175 hours remaining, 237.894531 MB of memory in use. ENERGY: 3768600 3995.7914 20511.1572 14360.8139 248.1610 -203376.6329 2418.4192 0.0000 0.0000 51912.5751 -109929.7151 298.3423 -161842.2901 -109570.0324 298.4783 -108.9294 -84.0277 760563.5953 -9.1114 -9.0423 PRESSURE: 3768800 -376.989 -16.5635 115.164 -16.5642 -38.2044 -10.9903 115.165 -10.9898 154.383 GPRESSURE: 3768800 -279.353 15.5272 79.7501 -94.1165 0.484246 72.2066 17.576 -30.6393 115.076 PRESSAVG: 3768800 -83.466 -3.41411 9.7942 -3.4141 69.7906 -22.7459 9.79418 -22.7459 9.53667 GPRESSAVG: 3768800 -84.7641 -0.798454 7.80639 -4.64088 69.4028 -22.1533 11.1199 -24.864 10.2481 TIMING: 3768800 CPU: 11909, 0.00316452/step Wall: 11909, 0.00316452/step, 1.08227 hours remaining, 238.007812 MB of memory in use. ENERGY: 3768800 4033.1114 20639.1281 14449.5994 245.7825 -203885.0942 2916.5394 0.0000 0.0000 51681.5826 -109919.3508 297.0148 -161600.9334 -109576.1034 298.7681 -86.9369 -54.5975 762242.2147 -1.3796 -1.7044 PRESSURE: 3769000 108.107 -96.9072 132.812 -96.908 -22.0504 -214.357 132.812 -214.356 108.704 GPRESSURE: 3769000 165.34 23.4711 70.2348 -176.35 44.21 -166.112 83.842 -179.589 87.0866 PRESSAVG: 3769000 -20.7955 -26.7448 -0.0144134 -26.7448 33.1946 -69.3501 -0.0143838 -69.3501 -27.2802 GPRESSAVG: 3769000 -20.9786 -30.2393 1.23307 -24.5369 32.3548 -69.6779 -1.74045 -67.6224 -26.4983 TIMING: 3769000 CPU: 11909.7, 0.00315962/step Wall: 11909.7, 0.00315962/step, 1.08041 hours remaining, 238.007812 MB of memory in use. ENERGY: 3769000 3921.6374 20513.9936 14421.3993 242.4800 -203694.4763 2685.4512 0.0000 0.0000 51966.7889 -109942.7259 298.6538 -161909.5147 -109583.3871 298.6291 64.9202 98.8788 760726.8719 -4.9604 -5.0407 PRESSURE: 3769200 66.5005 31.6182 -98.8829 31.6181 -78.4404 2.97524 -98.8823 2.97552 -169.979 GPRESSURE: 3769200 21.748 109.659 -192.575 -87.4864 -3.11285 -16.0658 -123.431 37.3817 -114.616 PRESSAVG: 3769200 -8.69137 -22.7819 11.3463 -22.7819 51.1357 -9.77354 11.3463 -9.77354 -5.87935 GPRESSAVG: 3769200 -9.43881 -21.2148 11.6498 -24.6971 52.2648 -10.3179 12.6093 -9.5337 -5.63468 TIMING: 3769200 CPU: 11910.3, 0.00316358/step Wall: 11910.3, 0.00316358/step, 1.08159 hours remaining, 238.007812 MB of memory in use. ENERGY: 3769200 3898.2799 20481.1812 14477.2935 248.3738 -203429.5296 2452.7734 0.0000 0.0000 52065.1534 -109806.4744 299.2192 -161871.6278 -109457.1696 298.8339 -60.6395 -31.9938 761475.3157 12.1883 12.3971 PRESSURE: 3769400 -215.951 96.7342 -298.151 96.7343 96.1872 -29.6098 -298.151 -29.6101 -20.3958 GPRESSURE: 3769400 -224.882 -59.7008 -301.641 153.944 176.422 28.6047 -182.069 -32.0048 -3.52839 PRESSAVG: 3769400 -37.5013 -44.8636 56.2916 -44.8636 33.9429 7.68109 56.2915 7.68104 -34.7383 GPRESSAVG: 3769400 -36.2124 -44.4265 56.5001 -44.3781 32.9655 7.91272 54.3909 6.34184 -34.9571 TIMING: 3769400 CPU: 11910.9, 0.00316239/step Wall: 11910.9, 0.00316239/step, 1.08101 hours remaining, 238.007812 MB of memory in use. ENERGY: 3769400 3957.3782 20679.8292 14513.8568 244.2577 -203429.4658 2410.5337 0.0000 0.0000 51724.2157 -109899.3946 297.2598 -161623.6102 -109550.8486 298.4115 -46.7197 -17.3294 761216.3622 -12.7656 -12.7347 PRESSURE: 3769600 262.333 66.0249 86.4667 66.0252 -95.5399 64.7595 86.468 64.759 215.083 GPRESSURE: 3769600 316.541 42.2381 163.791 -26.5833 -22.9086 114.774 184.641 114.316 159.37 PRESSAVG: 3769600 -1.36443 -33.8101 3.33766 -33.8101 30.6861 4.48432 3.33765 4.48425 -23.6567 GPRESSAVG: 3769600 -2.51355 -35.5192 3.80459 -32.5143 31.6784 5.713 6.32145 5.05381 -23.1824 TIMING: 3769600 CPU: 11911.6, 0.00314881/step Wall: 11911.6, 0.00314881/step, 1.07619 hours remaining, 238.007812 MB of memory in use. ENERGY: 3769600 4043.0169 20638.8075 14414.5371 238.9974 -204099.9949 2939.2229 0.0000 0.0000 51954.1624 -109871.2507 298.5813 -161825.4131 -109511.9185 298.7050 127.2921 151.0008 760953.4045 1.8883 1.9941 PRESSURE: 3769800 29.9232 -44.8792 108.536 -44.8789 -303.84 47.6 108.536 47.599 -1.04396 GPRESSURE: 3769800 -44.8903 73.6665 155.566 -132.19 -177.209 -46.5842 -23.9247 24.1516 42.765 PRESSAVG: 3769800 -35.8686 -49.4353 21.2837 -49.4352 36.5473 2.70559 21.2836 2.70571 7.41637 GPRESSAVG: 3769800 -35.2395 -51.2677 20.5625 -47.5916 36.3423 0.738546 19.2743 3.48174 5.89064 TIMING: 3769800 CPU: 11912.2, 0.00315311/step Wall: 11912.2, 0.00315311/step, 1.07749 hours remaining, 238.007812 MB of memory in use. ENERGY: 3769800 3952.7023 20638.7847 14418.2893 258.2865 -203453.2695 2415.7802 0.0000 0.0000 52052.2468 -109717.1796 299.1450 -161769.4264 -109354.2308 298.8915 -91.6535 -59.7781 760582.6990 2.6984 2.3311 PRESSURE: 3770000 209.029 -23.1321 176.065 -23.1321 191.693 284.666 176.065 284.665 -67.889 GPRESSURE: 3770000 287.335 8.9349 186.807 -34.6654 130.171 272.566 119.915 124.197 -2.73443 PRESSAVG: 3770000 -22.2919 8.02978 -38.0354 8.02986 12.9187 69.9892 -38.0354 69.9892 -3.59197 GPRESSAVG: 3770000 -21.0651 8.72796 -36.797 4.43269 10.6321 70.468 -38.1363 69.8804 -2.28691 TIMING: 3770000 CPU: 11912.8, 0.00319322/step Wall: 11912.8, 0.00319322/step, 1.09102 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: 3770000 3975.2261 20809.8566 14437.1169 242.5368 -203740.8756 2518.0236 0.0000 0.0000 51919.3681 -109838.7476 298.3813 -161758.1156 -109490.1158 299.1484 110.9445 138.2573 760850.2804 -4.3217 -4.2400 PRESSURE: 3770200 -193.127 43.3865 -114.21 43.3867 -165.261 33.24 -114.21 33.2405 87.9853 GPRESSURE: 3770200 -200.788 35.0683 -116.482 -49.4848 -89.7269 52.8364 -137.902 14.1134 102.83 PRESSAVG: 3770200 -10.4082 -60.096 4.29593 -60.0961 18.7333 73.7003 4.29593 73.7003 7.47144 GPRESSAVG: 3770200 -11.0268 -56.4236 4.45345 -59.7925 20.1142 75.6359 5.53619 71.9573 5.93959 TIMING: 3770200 CPU: 11913.5, 0.00317821/step Wall: 11913.5, 0.00317821/step, 1.08571 hours remaining, 238.007812 MB of memory in use. ENERGY: 3770200 3889.8151 20633.4206 14426.0844 258.2621 -203506.6654 2423.4971 0.0000 0.0000 51976.3068 -109899.2793 298.7085 -161875.5861 -109539.1952 298.5393 -90.1344 -62.5615 761543.2538 5.2655 5.0090 PRESSURE: 3770400 51.69 -104.505 271.79 -104.506 126.192 -84.4488 271.791 -84.4489 30.0209 GPRESSURE: 3770400 174.042 -159.874 242.946 -150.821 165.884 -81.3308 275.387 -90.8905 -27.0403 PRESSAVG: 3770400 -64.2677 -32.7081 4.23654 -32.708 41.9366 4.33313 4.23656 4.33317 -12.3162 GPRESSAVG: 3770400 -64.0738 -37.979 3.79307 -30.5167 40.3107 2.50012 2.48105 5.04927 -10.8685 TIMING: 3770400 CPU: 11914.1, 0.00318717/step Wall: 11914.1, 0.00318717/step, 1.08859 hours remaining, 238.007812 MB of memory in use. ENERGY: 3770400 3961.0144 20501.1354 14500.0263 254.9465 -203520.6115 2610.5748 0.0000 0.0000 51811.3594 -109881.5548 297.7606 -161692.9142 -109519.8408 298.2868 69.3010 104.2954 761603.9059 -11.5491 -11.5439 PRESSURE: 3770600 -21.0776 -165.364 -63.4845 -165.364 -128.403 59.441 -63.4844 59.4405 -198.651 GPRESSURE: 3770600 -20.5323 -111.81 -31.8041 -114.602 -87.6647 49.252 -21.4474 149.616 -146.714 PRESSAVG: 3770600 22.6661 -52.8026 0.338275 -52.8026 2.12903 33.5388 0.33828 33.5389 4.41703 GPRESSAVG: 3770600 22.6351 -49.1228 -0.606776 -54.2688 2.36835 33.7791 2.67977 33.4282 4.16933 TIMING: 3770600 CPU: 11914.7, 0.00319549/step Wall: 11914.7, 0.00319549/step, 1.09126 hours remaining, 238.007812 MB of memory in use. ENERGY: 3770600 3970.1572 20606.3724 14434.2759 247.6027 -203581.0716 2603.8207 0.0000 0.0000 51827.9962 -109890.8466 297.8562 -161718.8428 -109522.9155 298.4552 -116.0440 -84.9703 761571.1407 9.7374 9.7243 PRESSURE: 3770800 23.4916 -34.3585 -62.889 -34.3579 19.5041 33.5559 -62.89 33.5556 178.321 GPRESSURE: 3770800 80.9458 -105.784 -146.224 -32.0911 97.6086 -16.5581 -26.1103 40.6332 106.601 PRESSAVG: 3770800 14.2501 -8.13825 23.3928 -8.1383 -34.7253 23.439 23.3928 23.4389 18.3665 GPRESSAVG: 3770800 12.9343 -8.72181 22.3761 -9.95935 -33.3742 24.2164 22.4924 24.8265 17.5668 TIMING: 3770800 CPU: 11915.4, 0.0031626/step Wall: 11915.4, 0.0031626/step, 1.07985 hours remaining, 238.007812 MB of memory in use. ENERGY: 3770800 4069.5337 20495.7735 14439.8020 255.5260 -203597.1154 2482.5994 0.0000 0.0000 51907.4231 -109946.4576 298.3127 -161853.8807 -109587.8584 298.5003 73.7723 95.0519 760896.2326 -0.7029 -0.9577 PRESSURE: 3771000 -239.575 -241.23 133.157 -241.231 47.8053 6.00311 133.157 6.0024 -134.535 GPRESSURE: 3771000 -346.421 -216.311 8.82994 -211.565 181.673 -42.9859 188.715 84.194 -69.687 PRESSAVG: 3771000 -35.522 4.67494 -4.9455 4.67494 -7.85083 5.31784 -4.9455 5.31778 2.52935 GPRESSAVG: 3771000 -35.7444 4.33502 -3.63871 4.50705 -8.59957 3.63351 -5.66747 4.98335 3.50784 TIMING: 3771000 CPU: 11916, 0.00315383/step Wall: 11916, 0.00315383/step, 1.07668 hours remaining, 238.007812 MB of memory in use. ENERGY: 3771000 3995.3299 20504.5438 14470.6925 251.7915 -203344.7814 2346.2232 0.0000 0.0000 51870.6044 -109905.5960 298.1011 -161776.2004 -109551.8505 298.2141 -108.7681 -78.1449 762692.3603 -13.6145 -13.6121 PRESSURE: 3771200 238.25 241.181 -192.96 241.179 -52.1961 93.7438 -192.96 93.7435 217.048 GPRESSURE: 3771200 233.54 310.393 -169.691 170.853 97.6812 111.294 -206.983 26.3361 148.175 PRESSAVG: 3771200 -43.8658 36.093 -13.8738 36.093 9.79934 -23.8227 -13.8738 -23.8227 -7.92613 GPRESSAVG: 3771200 -42.5967 35.3461 -13.8114 37.6971 9.88706 -21.0194 -15.0432 -25.7373 -8.81017 TIMING: 3771200 CPU: 11916.6, 0.00315095/step Wall: 11916.6, 0.00315095/step, 1.07552 hours remaining, 238.066406 MB of memory in use. ENERGY: 3771200 3929.7940 20549.8203 14440.9332 245.8550 -203354.0013 2424.1605 0.0000 0.0000 52060.7068 -109702.7316 299.1936 -161763.4384 -109343.5033 298.2030 134.3674 159.7986 761273.9507 -13.9975 -13.8399 PRESSURE: 3771400 231.358 138.937 310.231 138.937 -36.8491 178.08 310.231 178.08 -47.3944 GPRESSURE: 3771400 312.492 107.301 331.939 83.3118 14.5384 158.82 257.101 186.029 -78.0763 PRESSAVG: 3771400 -8.30594 45.761 4.0023 45.7611 -10.199 0.448141 4.0023 0.448101 6.10466 GPRESSAVG: 3771400 -9.53053 45.1595 5.11252 45.4133 -9.89733 -1.54991 4.74382 3.21157 6.56401 TIMING: 3771400 CPU: 11917.3, 0.00316128/step Wall: 11917.3, 0.00316128/step, 1.07887 hours remaining, 238.066406 MB of memory in use. ENERGY: 3771400 3956.9362 20457.8993 14421.1414 244.4839 -203448.8353 2604.8847 0.0000 0.0000 51840.8117 -109922.6779 297.9299 -161763.4896 -109559.9068 298.6894 49.0382 82.9848 762429.6445 -4.1334 -4.2879 PRESSURE: 3771600 120.463 -39.5408 -85.0268 -39.5413 -319.268 2.87965 -85.0274 2.87961 90.9855 GPRESSURE: 3771600 54.4842 -68.2549 -57.6244 -47.6047 -314.556 94.381 -44.2494 126.32 242.298 PRESSAVG: 3771600 -7.09582 7.35474 -36.7382 7.35475 5.02057 37.7858 -36.7382 37.7858 18.0429 GPRESSAVG: 3771600 -6.88381 7.7472 -38.5159 9.00129 3.52001 39.4205 -37.2703 35.763 18.5171 TIMING: 3771600 CPU: 11917.9, 0.00317888/step Wall: 11917.9, 0.00317888/step, 1.0847 hours remaining, 238.066406 MB of memory in use. ENERGY: 3771600 3973.4602 20526.9539 14436.4584 244.1229 -203519.6771 2528.8521 0.0000 0.0000 51944.1965 -109865.6331 298.5240 -161809.8296 -109507.0569 298.5437 -35.9397 -5.9246 761277.8722 5.3225 5.0511 PRESSURE: 3771800 130.609 -157.431 -9.29473 -157.43 -223.569 6.7673 -9.29584 6.76844 -218.297 GPRESSURE: 3771800 143.218 -211.796 -58.1358 -300.735 -210.241 37.1383 -12.6783 -20.8734 -172.758 PRESSAVG: 3771800 12.1486 -2.66898 -16.5143 -2.66893 -34.5256 18.3239 -16.5143 18.3239 -2.77618 GPRESSAVG: 3771800 10.7235 -4.42468 -15.8066 -2.02194 -33.8923 18.0309 -15.9765 19.5611 -2.93846 TIMING: 3771800 CPU: 11918.5, 0.00315554/step Wall: 11918.5, 0.00315554/step, 1.07656 hours remaining, 238.066406 MB of memory in use. ENERGY: 3771800 4012.3440 20490.2465 14482.9396 246.4208 -203893.9235 2507.7809 0.0000 0.0000 52200.0210 -109954.1706 299.9942 -162154.1916 -109587.8177 298.9150 -103.7523 -79.9268 760476.2912 -8.3844 -8.7024 PRESSURE: 3772000 261.758 166.409 285.714 166.409 -101.857 -11.2763 285.713 -11.276 88.4269 GPRESSURE: 3772000 284.588 211.883 267.066 127.491 -110.655 -67.1309 167.992 -41.4029 140.099 PRESSAVG: 3772000 17.3211 -2.12939 8.69229 -2.12945 -15.118 -5.48742 8.69231 -5.48738 0.103562 GPRESSAVG: 3772000 19.409 -1.93891 7.87324 -3.3595 -15.0802 -5.59766 8.00569 -6.47446 -1.09297 TIMING: 3772000 CPU: 11919.2, 0.00315369/step Wall: 11919.2, 0.00315369/step, 1.07576 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: 3772000 3980.5840 20345.6671 14454.1978 231.3229 -203918.7833 2826.1760 0.0000 0.0000 51903.7074 -110177.1281 298.2913 -162080.8355 -109813.7544 298.7258 82.7759 104.6771 760130.7236 0.7689 1.0786 PRESSURE: 3772200 129.852 71.1 -42.9913 71.1005 145.233 -95.6419 -42.9902 -95.6408 334.298 GPRESSURE: 3772200 159.024 107.68 30.4 48.6728 147.8 -32.5208 -124.187 -152.54 406.422 PRESSAVG: 3772200 -73.9989 -12.4007 -6.5107 -12.4008 33.2039 -0.679299 -6.5107 -0.679283 24.9722 GPRESSAVG: 3772200 -74.4952 -11.6018 -4.52166 -11.8642 34.3335 -1.16175 -5.81239 -0.0540101 24.807 TIMING: 3772200 CPU: 11919.8, 0.00315261/step Wall: 11919.8, 0.00315261/step, 1.07522 hours remaining, 238.066406 MB of memory in use. ENERGY: 3772200 3936.4891 20437.3082 14472.1382 257.9343 -203714.2886 3000.8006 0.0000 0.0000 51651.6877 -109957.9305 296.8430 -161609.6182 -109601.8638 297.9310 203.1276 237.7490 761879.8690 -5.2743 -5.1182 LDB: ============= START OF LOAD BALANCING ============== 11932.3 LDB: ============== END OF LOAD BALANCING =============== 11932.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11932.3 LDB: ============= START OF LOAD BALANCING ============== 11932.6 LDB: Largest compute 7068 load 0.032040 is 16.4% of average load 0.195627 LDB: Average compute 0.004389 is 2.2% of average load 0.195627 LDB: TIME 11932.6 LOAD: AVG 0.195627 MAX 0.216663 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.414 MB LDB: TIME 11932.6 LOAD: AVG 0.195627 MAX 0.216663 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: TIME 11932.6 LOAD: AVG 0.195627 MAX 0.216663 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.508 MB LDB: ============== END OF LOAD BALANCING =============== 11932.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11932.7 PRESSURE: 3772400 -80.9323 -119.193 -216.702 -119.192 273.934 36.4584 -216.701 36.4583 184.274 GPRESSURE: 3772400 -36.8429 -115.161 -182.407 -182.56 273.46 104.596 -224.542 -8.07355 231.109 PRESSAVG: 3772400 5.84822 -60.5628 -15.7024 -60.5628 -13.9073 -25.0716 -15.7025 -25.0716 -14.2166 GPRESSAVG: 3772400 5.84694 -59.2546 -17.5568 -62.1167 -13.924 -26.3345 -17.2362 -24.6515 -14.5593 TIMING: 3772400 CPU: 11920.4, 0.00322312/step Wall: 11920.4, 0.00322312/step, 1.09909 hours remaining, 235.464844 MB of memory in use. ENERGY: 3772400 4025.4398 20450.6081 14407.1384 263.8169 -203218.3615 2520.0282 0.0000 0.0000 51879.3864 -109671.9439 298.1515 -161551.3302 -109306.0413 298.1942 125.7586 155.9087 760503.8953 -7.4252 -7.5455 PRESSURE: 3772600 -357.537 218.878 80.2069 218.878 -162.811 17.6227 80.2069 17.6224 -651.573 GPRESSURE: 3772600 -421.505 172.761 66.8601 130.236 -83.0241 37.3204 32.1369 104.108 -560.425 PRESSAVG: 3772600 24.3481 -22.5193 -6.72262 -22.5193 27.1757 -21.7968 -6.72263 -21.7968 15.4953 GPRESSAVG: 3772600 21.6595 -23.5915 -9.38464 -22.1383 27.5144 -19.993 -3.25401 -22.465 18.063 TIMING: 3772600 CPU: 11921.1, 0.00315692/step Wall: 11921.1, 0.00315692/step, 1.07634 hours remaining, 235.667969 MB of memory in use. ENERGY: 3772600 3953.7921 20417.9089 14491.2841 247.2657 -203258.2292 2306.5262 0.0000 0.0000 52170.3421 -109671.1101 299.8237 -161841.4523 -109304.9439 298.6726 -390.6402 -354.9845 762067.7919 22.3397 22.4123 PRESSURE: 3772800 369.379 176.121 152.972 176.12 137.938 112.917 152.971 112.917 158.844 GPRESSURE: 3772800 354.531 184.546 94.4932 214.382 235.959 44.2778 144.564 119.386 144.319 PRESSAVG: 3772800 -68.7274 7.76116 -44.2869 7.76123 69.8635 -23.6787 -44.2869 -23.6787 -8.61271 GPRESSAVG: 3772800 -66.6665 7.09384 -41.8881 7.52831 68.3754 -24.951 -48.3033 -24.9512 -9.67009 TIMING: 3772800 CPU: 11921.7, 0.00314848/step Wall: 11921.7, 0.00314848/step, 1.07328 hours remaining, 235.925781 MB of memory in use. ENERGY: 3772800 4008.2215 20448.1844 14435.8682 229.5204 -203675.1706 2839.2376 0.0000 0.0000 52134.7216 -109579.4170 299.6190 -161714.1386 -109219.8569 298.6462 222.0540 244.9363 759890.6356 -2.4922 -2.6537 PRESSURE: 3773000 124.658 -154.095 -171.757 -154.096 89.8849 18.4144 -171.759 18.4148 287.195 GPRESSURE: 3773000 202.814 -126.664 -223.883 -186.031 63.5783 136.161 0.583426 4.0465 320.576 PRESSAVG: 3773000 -5.69849 -38.674 -20.2587 -38.674 -8.88765 -13.0547 -20.2587 -13.0547 0.728877 GPRESSAVG: 3773000 -6.42677 -38.3567 -18.8654 -39.2295 -8.96296 -11.4118 -19.8628 -13.0187 1.35965 TIMING: 3773000 CPU: 11922.3, 0.00315374/step Wall: 11922.3, 0.00315374/step, 1.0749 hours remaining, 235.925781 MB of memory in use. ENERGY: 3773000 3929.1655 20613.8965 14511.4082 241.5912 -203427.6151 2518.9980 0.0000 0.0000 51975.9084 -109636.6474 298.7063 -161612.5558 -109277.4893 298.8096 167.2459 195.6564 760339.9273 -4.6191 -4.6767 PRESSURE: 3773200 66.1158 173.955 -43.4384 173.955 -22.316 169.73 -43.4398 169.729 21.6169 GPRESSURE: 3773200 59.7202 151.4 -39.6219 172.286 86.9477 214.055 -110.12 228.544 6.32885 PRESSAVG: 3773200 -31.0904 39.0106 -66.3058 39.0106 23.8514 23.4634 -66.3058 23.4633 6.97878 GPRESSAVG: 3773200 -30.7785 38.3487 -67.6596 39.5938 24.3563 23.0478 -64.1831 25.287 7.00467 TIMING: 3773200 CPU: 11923, 0.00316615/step Wall: 11923, 0.00316615/step, 1.07895 hours remaining, 235.925781 MB of memory in use. ENERGY: 3773200 3999.0805 20470.7226 14415.9762 241.8340 -203481.9992 2618.9515 0.0000 0.0000 51952.0298 -109783.4047 298.5690 -161735.4344 -109424.6376 298.7455 21.8056 50.9989 761745.2246 -0.0868 0.1942 PRESSURE: 3773400 127.959 39.1057 -65.7053 39.1053 -161.258 25.9255 -65.7049 25.9267 463.551 GPRESSURE: 3773400 169.392 19.7586 -76.1189 72.3046 -54.9806 -9.30596 21.2569 28.551 414.425 PRESSAVG: 3773400 -16.5743 -14.6609 66.9459 -14.661 34.4151 33.2408 66.946 33.2408 -12.1157 GPRESSAVG: 3773400 -16.1543 -11.9269 66.9432 -14.6267 34.0966 33.2875 63.8534 31.4273 -12.5207 TIMING: 3773400 CPU: 11923.6, 0.0031688/step Wall: 11923.6, 0.0031688/step, 1.07968 hours remaining, 235.925781 MB of memory in use. ENERGY: 3773400 3984.6816 20396.9956 14471.3035 254.7891 -203315.1595 2646.8041 0.0000 0.0000 52002.3664 -109558.2192 298.8583 -161560.5856 -109187.5799 298.6269 143.4173 176.2789 761258.6681 1.9084 1.8072 PRESSURE: 3773600 -198.157 4.27694 -107.707 4.27626 -141.584 57.9533 -107.706 57.9524 186.162 GPRESSURE: 3773600 -128.583 -131.414 -99.8947 -53.087 -104.942 29.1142 -52.9404 -17.1418 196.441 PRESSAVG: 3773600 7.0651 -23.5484 -3.37342 -23.5485 -5.95473 -31.3455 -3.37351 -31.3455 6.24119 GPRESSAVG: 3773600 7.0797 -24.2941 -3.48809 -22.3246 -5.34543 -32.1549 -0.626281 -30.0167 6.64121 TIMING: 3773600 CPU: 11924.2, 0.00316653/step Wall: 11924.2, 0.00316653/step, 1.07873 hours remaining, 235.925781 MB of memory in use. ENERGY: 3773600 3954.3947 20564.7291 14451.8748 255.1236 -203137.6250 2540.8521 0.0000 0.0000 51819.6684 -109550.9824 297.8083 -161370.6508 -109183.6393 298.7801 -51.1928 -12.3614 761535.0867 2.4505 2.7918 PRESSURE: 3773800 -275.039 -94.8622 -103.694 -94.8628 -230.147 -41.3902 -103.695 -41.3928 97.0389 GPRESSURE: 3773800 -206.366 -174.873 -122.8 40.4355 -197.016 -26.3298 -260.319 -167.445 87.7266 PRESSAVG: 3773800 -16.3194 -55.255 23.3869 -55.2549 46.0151 -6.43804 23.3869 -6.43812 -26.1778 GPRESSAVG: 3773800 -15.4993 -57.2575 23.8406 -55.5021 45.8309 -6.76396 22.9611 -5.84559 -26.6346 TIMING: 3773800 CPU: 11924.9, 0.00316468/step Wall: 11924.9, 0.00316468/step, 1.07792 hours remaining, 235.925781 MB of memory in use. ENERGY: 3773800 3912.4466 20665.0617 14479.1583 255.0417 -203318.8598 2545.9708 0.0000 0.0000 52058.5628 -109402.6179 299.1813 -161461.1807 -109038.9502 298.9942 -136.0491 -105.2183 762812.2448 1.1726 1.2323 PRESSURE: 3774000 -264.36 41.9258 -45.6858 41.926 75.1237 64.8642 -45.6854 64.8642 473.429 GPRESSURE: 3774000 -161.066 44.0982 -65.1883 29.1095 39.6751 114.195 12.9187 -92.205 484.574 PRESSAVG: 3774000 -7.47496 -29.3113 40.6151 -29.3113 31.3563 -39.6792 40.6151 -39.6792 -1.75768 GPRESSAVG: 3774000 -8.64098 -29.8428 39.3384 -29.5252 32.2046 -38.9638 40.6056 -41.4842 -1.55487 TIMING: 3774000 CPU: 11925.5, 0.00313688/step Wall: 11925.5, 0.00313688/step, 1.06828 hours remaining, 235.925781 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: 3774000 3963.5008 20629.4678 14406.4972 236.3786 -203353.9978 2575.0654 0.0000 0.0000 52083.0052 -109460.0828 299.3217 -161543.0880 -109096.0266 299.5235 94.7312 121.0612 761872.8777 7.3746 7.3363 PRESSURE: 3774200 -85.7883 -187.455 107.8 -187.454 -139.765 -42.8599 107.8 -42.8594 -114.861 GPRESSURE: 3774200 -11.0532 -229.667 53.1279 -208.099 -136.736 -0.566457 119.262 33.279 -99.888 PRESSAVG: 3774200 46.2513 33.4802 19.8857 33.4801 -1.45858 -11.9039 19.8858 -11.9038 29.573 GPRESSAVG: 3774200 46.6381 36.1436 20.71 33.795 -2.54105 -10.6247 18.9253 -11.3391 30.5343 TIMING: 3774200 CPU: 11926.1, 0.0031465/step Wall: 11926.1, 0.0031465/step, 1.07138 hours remaining, 235.925781 MB of memory in use. ENERGY: 3774200 3977.1174 20476.0316 14460.9057 252.8038 -203642.3388 2895.6209 0.0000 0.0000 52071.0411 -109508.8183 299.2530 -161579.8595 -109137.9166 298.8967 -113.4713 -82.5591 760667.8934 24.7886 24.8771 PRESSURE: 3774400 40.9295 -146.996 -38.6934 -146.995 -155.606 -70.2126 -38.6935 -70.2123 -114.319 GPRESSURE: 3774400 -22.5607 -113.742 -60.2394 -152.467 -136.795 -63.3165 -51.6771 -88.1736 14.2577 PRESSAVG: 3774400 -18.6812 -55.8246 8.8859 -55.8247 -20.1681 -12.735 8.88587 -12.735 2.69825 GPRESSAVG: 3774400 -18.7896 -56.8776 9.62864 -57.7273 -18.5979 -12.2672 9.35675 -12.2173 0.73565 TIMING: 3774400 CPU: 11926.7, 0.00314378/step Wall: 11926.7, 0.00314378/step, 1.07028 hours remaining, 235.925781 MB of memory in use. ENERGY: 3774400 3970.6753 20627.7175 14431.1656 264.7530 -203691.8768 2884.9433 0.0000 0.0000 52026.7234 -109485.8985 298.9983 -161512.6219 -109117.4719 298.8545 -76.3320 -48.3660 762405.3938 -12.0504 -12.2173 PRESSURE: 3774600 -411.616 -38.3646 18.3347 -38.3647 -291.772 -176.092 18.3351 -176.092 -553.05 GPRESSURE: 3774600 -369.878 -14.4572 19.4852 -46.0372 -336.09 -207.792 104.404 -157.151 -478.043 PRESSAVG: 3774600 -40.9938 -26.4845 3.54966 -26.4846 24.9951 -16.0111 3.54967 -16.0111 -7.71613 GPRESSAVG: 3774600 -40.03 -27.8307 2.09216 -23.3939 23.1681 -16.0926 3.41845 -16.5182 -6.56882 TIMING: 3774600 CPU: 11927.4, 0.00315575/step Wall: 11927.4, 0.00315575/step, 1.07418 hours remaining, 235.925781 MB of memory in use. ENERGY: 3774600 4071.9195 20569.4333 14454.0448 251.2444 -203387.5124 2526.4627 0.0000 0.0000 51997.2053 -109517.2024 298.8287 -161514.4077 -109159.8977 298.8612 -418.8131 -394.6703 762389.5848 -7.9049 -7.8103 PRESSURE: 3774800 -41.0975 59.2252 -15.9878 59.2253 -150.388 99.4617 -15.9873 99.4616 -333.77 GPRESSURE: 3774800 -47.2802 34.8625 -55.429 -6.3416 -82.74 77.5026 88.4732 115.444 -306.41 PRESSAVG: 3774800 -32.1352 19.4627 -3.41862 19.4627 32.2771 -32.6032 -3.41865 -32.6032 22.3581 GPRESSAVG: 3774800 -32.1106 20.1398 -3.06581 18.7311 31.9791 -33.7876 -2.22549 -34.2792 22.8075 TIMING: 3774800 CPU: 11928, 0.00315282/step Wall: 11928, 0.00315282/step, 1.07301 hours remaining, 235.925781 MB of memory in use. ENERGY: 3774800 4089.5459 20501.6418 14468.0794 265.1558 -203320.5852 2613.7511 0.0000 0.0000 51937.6857 -109444.7255 298.4866 -161382.4112 -109087.4945 299.7017 -175.0853 -145.4768 762925.6463 7.5000 7.5587 PRESSURE: 3775000 -18.1296 45.3986 -167.902 45.398 103.562 97.7699 -167.901 97.7704 -4.78857 GPRESSURE: 3775000 -6.48165 -4.06905 -230.598 146.847 143.929 31.6023 -132.553 89.8864 33.51 PRESSAVG: 3775000 -18.2618 28.7499 -12.708 28.75 -11.7186 -2.24854 -12.708 -2.24851 10.27 GPRESSAVG: 3775000 -19.7536 28.4046 -11.9188 27.1167 -10.1219 -2.05874 -14.9606 0.0944354 10.9199 TIMING: 3775000 CPU: 11928.6, 0.003162/step Wall: 11928.6, 0.003162/step, 1.07596 hours remaining, 235.925781 MB of memory in use. ENERGY: 3775000 3996.7070 20520.5585 14462.1047 241.2559 -203130.9096 2523.3097 0.0000 0.0000 51993.3533 -109393.6205 298.8065 -161386.9738 -109022.2244 299.6191 26.8814 56.9858 761604.3077 -6.5701 -6.3186 PRESSURE: 3775200 232.217 92.7237 108.297 92.723 -113.285 -109.166 108.297 -109.166 149.114 GPRESSURE: 3775200 174.923 88.2751 94.159 71.9387 38.2895 -172.912 9.82487 -27.9627 124.194 PRESSAVG: 3775200 12.9857 -67.1863 6.40107 -67.1863 36.3347 -3.96898 6.401 -3.96884 -16.3614 GPRESSAVG: 3775200 15.2216 -67.094 7.26383 -66.4087 36.6508 -3.45872 8.3311 -4.5583 -18.8087 TIMING: 3775200 CPU: 11929.3, 0.00315961/step Wall: 11929.3, 0.00315961/step, 1.07497 hours remaining, 235.925781 MB of memory in use. ENERGY: 3775200 3983.1971 20644.7634 14456.0811 239.6283 -203497.4175 2662.6863 0.0000 0.0000 52095.1891 -109415.8723 299.3918 -161511.0614 -109060.6075 299.3087 89.3483 112.4686 759943.2653 10.9863 11.0212 PRESSURE: 3775400 -67.4802 168.112 243.622 168.112 -132.752 -42.3067 243.621 -42.3063 -379.21 GPRESSURE: 3775400 1.29877 175.161 253.401 223.853 -149.657 28.9168 26.8383 -77.2822 -324.665 PRESSAVG: 3775400 -2.21474 -12.6909 -57.4647 -12.6908 -28.7082 -0.274029 -57.4648 -0.274088 -0.360202 GPRESSAVG: 3775400 -2.96941 -10.0705 -58.9546 -13.1983 -30.5993 0.154629 -59.1466 -0.592635 2.36855 TIMING: 3775400 CPU: 11929.9, 0.00318421/step Wall: 11929.9, 0.00318421/step, 1.08316 hours remaining, 235.925781 MB of memory in use. ENERGY: 3775400 4003.0408 20474.2510 14453.9728 238.4979 -203189.5074 2324.1779 0.0000 0.0000 52214.1448 -109481.4222 300.0754 -161695.5670 -109105.7087 299.3657 -193.1473 -157.6745 761375.0460 -10.4277 -10.4001 PRESSURE: 3775600 -143.647 -178.514 130.305 -178.513 172.113 169.567 130.305 169.568 61.6146 GPRESSURE: 3775600 -168.103 -89.4664 114.37 -182.233 250.058 138.585 149.765 185.448 110.51 PRESSAVG: 3775600 5.11201 -20.903 -3.60462 -20.903 -17.5742 18.2022 -3.60465 18.2023 6.53029 GPRESSAVG: 3775600 5.73898 -22.2059 -2.94794 -19.3295 -16.4292 16.9952 -3.33948 18.6037 4.65188 TIMING: 3775600 CPU: 11930.5, 0.00316298/step Wall: 11930.5, 0.00316298/step, 1.07577 hours remaining, 235.925781 MB of memory in use. ENERGY: 3775600 4021.7759 20444.7250 14482.0240 257.8046 -203528.3796 2935.6061 0.0000 0.0000 52144.3600 -109242.0839 299.6744 -161386.4439 -108867.2026 299.2717 30.0267 64.1550 762408.1311 -1.9773 -2.0128 PRESSURE: 3775800 -126.6 307.506 44.1248 307.506 -233.844 -186.488 44.1231 -186.488 66.9264 GPRESSURE: 3775800 -17.7623 298.596 75.7228 431.441 -236.769 -206.159 -57.7064 -211.733 65.3292 PRESSAVG: 3775800 0.202224 11.904 46.7877 11.904 -27.0406 19.2021 46.7877 19.2023 -4.12993 GPRESSAVG: 3775800 -1.15713 12.4341 47.0132 10.7116 -26.1766 20.0574 46.8785 21.2713 -3.15966 TIMING: 3775800 CPU: 11931.2, 0.00315166/step Wall: 11931.2, 0.00315166/step, 1.07174 hours remaining, 235.925781 MB of memory in use. ENERGY: 3775800 4033.7447 20399.5954 14504.9003 249.0478 -203161.8313 2589.7324 0.0000 0.0000 52146.7117 -109238.0989 299.6879 -161384.8106 -108879.2454 299.7223 -97.8391 -63.0674 761730.9911 -10.3228 -10.1645 PRESSURE: 3776000 -173.447 23.6411 128.777 23.6407 232.321 144.867 128.777 144.867 -7.49554 GPRESSURE: 3776000 -88.3597 26.8119 27.5725 -93.8827 202.552 245.672 206.072 113.835 30.5781 PRESSAVG: 3776000 18.7904 -2.69408 -2.17838 -2.69406 -25.0171 14.8409 -2.17838 14.841 4.07009 GPRESSAVG: 3776000 20.2012 -2.35015 -1.37207 -3.84089 -26.0618 15.1432 -2.13186 12.2774 3.29551 TIMING: 3776000 CPU: 11931.8, 0.00314823/step Wall: 11931.8, 0.00314823/step, 1.0704 hours remaining, 235.925781 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: 3776000 4002.6030 20535.6988 14508.2955 241.6596 -203147.7118 2518.1811 0.0000 0.0000 51879.3074 -109461.9664 298.1511 -161341.2739 -109081.8945 299.4732 17.1263 48.2566 762072.6536 -0.7189 -0.8550 PRESSURE: 3776200 359.181 0.301209 59.2308 0.301537 -50.1382 85.4921 59.2303 85.4931 552.569 GPRESSURE: 3776200 485.657 -69.2213 114.742 -20.1127 -13.6797 -41.1991 -65.5014 108.901 490.934 PRESSAVG: 3776200 14.9392 -2.34843 -32.1644 -2.34843 20.8054 36.3223 -32.1645 36.3224 -24.8771 GPRESSAVG: 3776200 13.8909 -4.3522 -34.5047 -1.89674 20.7969 35.9844 -30.4248 38.0377 -23.8414 TIMING: 3776200 CPU: 11932.4, 0.00316192/step Wall: 11932.4, 0.00316192/step, 1.07488 hours remaining, 235.925781 MB of memory in use. ENERGY: 3776200 4032.1659 20309.4882 14568.1263 253.0359 -203650.2867 2554.4138 0.0000 0.0000 52449.8542 -109483.2022 301.4300 -161933.0564 -109109.7815 299.1119 287.2037 320.9705 760426.6811 3.6225 3.6155 LDB: ============= START OF LOAD BALANCING ============== 11945 LDB: ============== END OF LOAD BALANCING =============== 11945 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11945 LDB: ============= START OF LOAD BALANCING ============== 11945.3 LDB: Largest compute 7076 load 0.032970 is 16.9% of average load 0.195506 LDB: Average compute 0.004371 is 2.2% of average load 0.195506 LDB: TIME 11945.3 LOAD: AVG 0.195506 MAX 0.217373 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.051 MB LDB: TIME 11945.3 LOAD: AVG 0.195506 MAX 0.217373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.254 MB LDB: TIME 11945.3 LOAD: AVG 0.195506 MAX 0.217373 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.254 MB LDB: ============== END OF LOAD BALANCING =============== 11945.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11945.3 PRESSURE: 3776400 -108.883 236.703 37.6572 236.704 -41.908 -10.6577 37.6567 -10.6587 -26.3509 GPRESSURE: 3776400 -34.2939 205.865 126.368 187.114 -56.6813 -58.1599 1.62917 131.802 4.77947 PRESSAVG: 3776400 24.289 -24.9022 20.5796 -24.9022 -38.2786 -8.21801 20.5795 -8.21801 9.88546 GPRESSAVG: 3776400 25.5727 -22.5816 21.6109 -25.7832 -38.4104 -8.07555 20.5806 -9.34106 8.35188 TIMING: 3776400 CPU: 11933.1, 0.00323308/step Wall: 11933.1, 0.00323308/step, 1.09889 hours remaining, 235.507812 MB of memory in use. ENERGY: 3776400 3916.6204 20509.3319 14436.7655 249.5168 -203345.7621 2622.4921 0.0000 0.0000 52163.2330 -109447.8024 299.7828 -161611.0354 -109084.7396 299.6700 -59.0474 -28.7319 762426.6436 -1.3680 -1.4953 PRESSURE: 3776600 -429.169 131.888 65.2441 131.887 239.158 115.643 65.2454 115.643 30.6748 GPRESSURE: 3776600 -310.436 168.506 -9.03742 74.973 160.547 106.208 91.0031 112.454 74.6048 PRESSAVG: 3776600 -19.2476 37.8252 35.3016 37.8251 36.2025 43.0404 35.3016 43.0403 27.4516 GPRESSAVG: 3776600 -20.3672 35.7856 33.1847 41.1038 34.7784 41.8363 33.8592 41.8954 30.0219 TIMING: 3776600 CPU: 11933.7, 0.00316547/step Wall: 11933.7, 0.00316547/step, 1.07573 hours remaining, 235.507812 MB of memory in use. ENERGY: 3776600 4052.1944 20510.2760 14345.9054 255.1581 -203486.6995 2425.0500 0.0000 0.0000 52393.0527 -109505.0629 301.1036 -161898.1155 -109138.9267 299.4599 -53.1122 -25.0948 761652.5926 14.8021 14.8110 PRESSURE: 3776800 122.119 -100.369 24.9412 -100.369 -325.942 -21.9188 24.9413 -21.9185 360.592 GPRESSURE: 3776800 130.558 -64.0434 49.0102 -43.0631 -212.877 -14.3658 120.702 -25.7169 313.631 PRESSAVG: 3776800 -16.895 27.9 6.16013 27.8999 17.3125 5.87834 6.1602 5.87838 1.5595 GPRESSAVG: 3776800 -16.1751 28.586 9.79726 27.4456 17.5426 7.25038 6.22452 6.50496 0.38317 TIMING: 3776800 CPU: 11934.4, 0.00318425/step Wall: 11934.4, 0.00318425/step, 1.08194 hours remaining, 235.507812 MB of memory in use. ENERGY: 3776800 3929.4372 20607.6567 14509.2242 253.7862 -203303.6190 2517.9832 0.0000 0.0000 52082.4067 -109403.1249 299.3183 -161485.5315 -109043.2875 299.5869 52.2564 77.1040 761240.9262 0.6590 0.5835 PRESSURE: 3777000 -300.527 139.205 111.825 139.205 -71.9359 43.7915 111.826 43.7907 -85.2133 GPRESSURE: 3777000 -265.783 152.584 76.1459 206.475 -129.548 17.6614 146.401 23.8875 21.2717 PRESSAVG: 3777000 -37.6497 -23.1445 14.2238 -23.1445 43.1368 15.6602 14.2238 15.6602 15.4989 GPRESSAVG: 3777000 -37.7972 -24.8422 11.9739 -22.6269 44.4302 15.6088 13.9068 16.5936 14.9187 TIMING: 3777000 CPU: 11935, 0.00317317/step Wall: 11935, 0.00317317/step, 1.078 hours remaining, 235.507812 MB of memory in use. ENERGY: 3777000 4047.4631 20634.0146 14485.8294 256.3222 -203564.2580 2556.1691 0.0000 0.0000 52208.9532 -109375.5064 300.0456 -161584.4596 -109020.7384 299.8494 -152.5586 -124.6862 761630.1725 6.9953 7.1839 PRESSURE: 3777200 -362.119 -95.8518 -72.3354 -95.8514 -25.1496 -108.596 -72.3349 -108.597 8.02146 GPRESSURE: 3777200 -398.238 -106.772 6.74954 -83.1977 132.707 -68.4871 -142.113 -53.868 -31.183 PRESSAVG: 3777200 20.2408 -7.45139 -13.9509 -7.45147 -9.13209 -14.6493 -13.9509 -14.6492 -12.7643 GPRESSAVG: 3777200 19.386 -5.05823 -13.1801 -7.42146 -8.61525 -15.9221 -15.3735 -12.6348 -13.0176 TIMING: 3777200 CPU: 11935.6, 0.0031661/step Wall: 11935.6, 0.0031661/step, 1.07542 hours remaining, 235.507812 MB of memory in use. ENERGY: 3777200 3981.5775 20525.0923 14565.9253 257.3428 -203419.3832 2670.3114 0.0000 0.0000 51976.0454 -109443.0885 298.7070 -161419.1339 -109079.9196 299.5468 -126.4156 -98.9045 761376.9913 -0.5519 -0.7489 PRESSURE: 3777400 -117.875 -50.3103 77.7463 -50.3103 165.573 -30.3295 77.7464 -30.3296 169.99 GPRESSURE: 3777400 -59.5956 -14.8305 75.0699 -9.73048 161.562 -83.2884 45.0296 -78.279 198.563 PRESSAVG: 3777400 -0.535157 4.59144 -15.0818 4.59139 27.3951 1.86277 -15.0818 1.86278 12.7628 GPRESSAVG: 3777400 0.869698 4.75528 -15.3816 3.14784 26.1033 1.74198 -12.8993 -1.30163 13.0827 TIMING: 3777400 CPU: 11936.3, 0.00315393/step Wall: 11936.3, 0.00315393/step, 1.07111 hours remaining, 235.507812 MB of memory in use. ENERGY: 3777400 3910.1003 20540.7798 14500.4126 236.5114 -203292.5003 2587.8446 0.0000 0.0000 52193.3979 -109323.4538 299.9562 -161516.8516 -108956.0253 299.3352 72.5625 100.1766 760448.9341 13.2076 13.3519 PRESSURE: 3777600 114.233 -232.863 -178.643 -232.863 131.147 32.2673 -178.644 32.2675 -365.244 GPRESSURE: 3777600 69.8387 -318.793 -151.309 -269.036 153.405 17.7299 -173.525 39.8168 -257.688 PRESSAVG: 3777600 -2.0194 9.78082 -25.772 9.78074 -27.48 32.7908 -25.772 32.7909 -16.2064 GPRESSAVG: 3777600 -2.0641 9.19604 -24.419 10.1633 -27.5954 33.9643 -26.1884 33.0376 -15.9453 TIMING: 3777600 CPU: 11936.9, 0.00316275/step Wall: 11936.9, 0.00316275/step, 1.07393 hours remaining, 235.507812 MB of memory in use. ENERGY: 3777600 3927.4964 20532.3355 14579.8727 261.9682 -203047.0603 2646.1202 0.0000 0.0000 51921.7473 -109177.5200 298.3950 -161099.2673 -108819.3344 299.4847 -39.9546 -11.4815 761988.6617 -15.2353 -15.2016 PRESSURE: 3777800 -134.688 -135.973 -111.003 -135.974 76.2831 128.011 -111.003 128.01 -408.096 GPRESSURE: 3777800 -32.5659 -138.247 -68.5084 -188.343 -20.6789 92.0747 -37.3086 131.932 -330.957 PRESSAVG: 3777800 -32.9446 -14.2685 2.89149 -14.2685 -1.00328 21.284 2.89147 21.284 -5.55501 GPRESSAVG: 3777800 -33.8929 -12.9477 3.2597 -15.4612 -0.328149 19.395 2.67605 22.366 -5.15649 TIMING: 3777800 CPU: 11937.5, 0.00317758/step Wall: 11937.5, 0.00317758/step, 1.07879 hours remaining, 235.507812 MB of memory in use. ENERGY: 3777800 3994.6458 20598.6305 14452.3771 247.4912 -203301.3518 2634.5571 0.0000 0.0000 52254.9947 -109118.6553 300.3102 -161373.6501 -108762.1317 299.4772 -155.5003 -128.0673 761329.5508 -13.1676 -13.1259 PRESSURE: 3778000 -465.412 126.829 -40.2749 126.829 -204.213 86.1474 -40.2744 86.1486 -235.917 GPRESSURE: 3778000 -371.073 86.2908 -89.5395 162.199 -248.609 25.1361 -87.6321 160.335 -208.12 PRESSAVG: 3778000 -28.5785 13.0137 -31.8017 13.0137 33.1309 25.9545 -31.8016 25.9545 20.0532 GPRESSAVG: 3778000 -28.1282 11.315 -32.1735 14.0838 32.059 26.5747 -32.8813 27.3115 20.3183 TIMING: 3778000 CPU: 11938.2, 0.00316358/step Wall: 11938.2, 0.00316358/step, 1.07386 hours remaining, 235.507812 MB of memory 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 4044.6617 20436.0154 14503.4818 218.8269 -202894.8097 2381.4790 0.0000 0.0000 52185.7644 -109124.5805 299.9123 -161310.3449 -108764.2251 299.8668 -301.8473 -275.9342 761608.3123 8.2019 8.0830 PRESSURE: 3778200 -26.5259 -143.579 112.768 -143.579 -10.4058 45.8893 112.768 45.8893 -439.685 GPRESSURE: 3778200 26.826 -79.2812 118.573 -184.808 -10.9256 2.25293 163.044 -23.3841 -400.477 PRESSAVG: 3778200 22.5429 9.60745 7.81289 9.60741 -2.61348 -22.644 7.81284 -22.6441 -4.15082 GPRESSAVG: 3778200 22.2616 8.9251 7.0409 9.11497 -2.02843 -20.6553 6.14118 -23.8587 -4.85877 TIMING: 3778200 CPU: 11938.8, 0.00317228/step Wall: 11938.8, 0.00317228/step, 1.07664 hours remaining, 235.507812 MB of memory in use. ENERGY: 3778200 3981.8002 20639.0970 14495.6620 240.8086 -203094.7214 2411.5063 0.0000 0.0000 52233.6601 -109092.1873 300.1876 -161325.8474 -108726.8134 299.7175 -158.8721 -128.1922 760501.1045 5.2595 5.1248 PRESSURE: 3778400 351.464 70.4931 -150.986 70.4924 43.9296 -26.9934 -150.987 -26.9947 121.215 GPRESSURE: 3778400 386.565 20.9851 -66.6061 50.8813 111.764 33.9099 -202.899 39.8596 129.754 PRESSAVG: 3778400 33.6549 -19.1575 6.45551 -19.1575 2.51474 -19.0856 6.45555 -19.0857 -5.22985 GPRESSAVG: 3778400 32.2769 -18.0786 5.63001 -19.4341 3.01669 -18.2933 8.64354 -19.3237 -3.86422 TIMING: 3778400 CPU: 11939.4, 0.00316883/step Wall: 11939.4, 0.00316883/step, 1.07529 hours remaining, 235.507812 MB of memory in use. ENERGY: 3778400 3934.8863 20468.7401 14492.9729 255.7947 -203253.5467 2780.5338 0.0000 0.0000 52046.4343 -109274.1846 299.1116 -161320.6189 -108912.4847 299.3834 172.2031 209.3607 761370.7349 10.3133 10.4765 PRESSURE: 3778600 198.494 70.2025 -136.792 70.2026 160.637 -57.5059 -136.792 -57.5059 -196.98 GPRESSURE: 3778600 140.757 104.793 -104.545 -5.28135 249.78 -43.6413 -131.434 49.3543 -137.987 PRESSAVG: 3778600 66.6799 -0.420172 -57.2648 -0.420134 -21.102 13.5265 -57.2648 13.5265 8.47763 GPRESSAVG: 3778600 65.864 -0.540464 -56.0953 -1.62356 -19.8828 10.9733 -58.0234 14.4562 8.08978 TIMING: 3778600 CPU: 11940, 0.00314603/step Wall: 11940, 0.00314603/step, 1.06738 hours remaining, 235.507812 MB of memory in use. ENERGY: 3778600 4012.2405 20618.2410 14449.4422 240.0016 -203279.6799 2790.7499 0.0000 0.0000 52072.0158 -109096.9890 299.2586 -161169.0048 -108732.0857 299.2757 54.0501 84.1831 761274.6393 18.0185 18.0237 PRESSURE: 3778800 -113.568 -115.365 7.87051 -115.365 24.6193 4.54399 7.87078 4.54408 -85.0641 GPRESSURE: 3778800 -8.81465 -130.341 24.6978 -148.461 -23.8972 8.67533 124.563 -60.2715 -83.3389 PRESSAVG: 3778800 9.06151 -24.0418 -30.0546 -24.0418 -3.1251 2.54015 -30.0546 2.54018 35.1699 GPRESSAVG: 3778800 11.0693 -21.946 -30.7402 -24.2464 -5.27811 4.56315 -29.841 2.28335 35.379 TIMING: 3778800 CPU: 11940.7, 0.00315465/step Wall: 11940.7, 0.00315465/step, 1.07013 hours remaining, 235.507812 MB of memory in use. ENERGY: 3778800 4006.0082 20589.7728 14557.1581 279.1769 -202741.6189 2229.3146 0.0000 0.0000 51970.7673 -109109.4210 298.6767 -161080.1883 -108742.4780 299.5416 -58.0042 -38.6836 762632.1534 13.7021 13.7234 PRESSURE: 3779000 -207.152 -16.2784 -131.489 -16.2778 -128.386 142.817 -131.488 142.818 139.286 GPRESSURE: 3779000 -110.255 -52.0266 -58.0881 -32.7904 -88.1365 129.332 -54.3922 114.849 111.098 PRESSAVG: 3779000 33.602 -6.94628 17.7031 -6.94626 -45.5492 -27.5229 17.7032 -27.5229 -18.5226 GPRESSAVG: 3779000 32.9706 -9.89388 18.5228 -4.63636 -44.4442 -29.7541 16.9048 -25.9127 -18.8541 TIMING: 3779000 CPU: 11941.3, 0.00315423/step Wall: 11941.3, 0.00315423/step, 1.06981 hours remaining, 235.507812 MB of memory in use. ENERGY: 3779000 3989.8024 20714.0021 14578.0739 227.0019 -202787.9341 2373.9257 0.0000 0.0000 51988.0087 -108917.1195 298.7758 -160905.1282 -108559.9335 299.8847 -65.4173 -29.0980 763957.5744 -10.1566 -10.1092 PRESSURE: 3779200 -125.91 49.393 147.01 49.393 -215.571 46.5713 147.01 46.5717 349.409 GPRESSURE: 3779200 13.7966 -1.23037 47.9904 30.3505 -285.03 -95.0946 164.884 21.1247 364.695 PRESSAVG: 3779200 -14.4296 -40.0938 -23.4289 -40.0938 -57.1968 -39.1668 -23.4289 -39.1669 3.78953 GPRESSAVG: 3779200 -14.186 -38.172 -23.3658 -42.2255 -57.862 -37.5799 -23.0681 -40.436 4.30959 TIMING: 3779200 CPU: 11941.9, 0.00314072/step Wall: 11941.9, 0.00314072/step, 1.06505 hours remaining, 235.507812 MB of memory in use. ENERGY: 3779200 4022.9166 20514.3697 14509.3550 254.9549 -203179.7095 2848.1020 0.0000 0.0000 52220.3561 -108809.6552 300.1111 -161030.0114 -108446.5648 299.8568 2.6429 31.1538 762890.2694 -22.6123 -22.5795 PRESSURE: 3779400 94.045 -82.4839 -62.1655 -82.4835 -96.3688 37.8515 -62.1665 37.8523 101.625 GPRESSURE: 3779400 127.992 -27.5923 -25.6 -65.9094 -32.7914 5.95077 -154.969 143.696 83.6512 PRESSAVG: 3779400 -1.94826 -34.4659 13.2923 -34.4658 18.4322 17.6648 13.2924 17.6649 3.87328 GPRESSAVG: 3779400 -2.76821 -34.3347 13.4755 -32.3374 17.8851 18.0677 14.0748 17.2846 4.76162 TIMING: 3779400 CPU: 11942.6, 0.00315347/step Wall: 11942.6, 0.00315347/step, 1.0692 hours remaining, 235.507812 MB of memory in use. ENERGY: 3779400 3995.0436 20414.9978 14529.1363 233.4641 -203067.9502 2746.3546 0.0000 0.0000 52181.5847 -108967.3691 299.8883 -161148.9538 -108594.7661 300.2087 33.1003 59.6174 763786.0743 6.7857 6.6262 PRESSURE: 3779600 -439.392 9.63307 -45.6082 9.63234 -511.308 -245.843 -45.6079 -245.843 -257.399 GPRESSURE: 3779600 -322.499 17.7694 -10.3614 -30.1789 -511.427 -286.398 2.05182 -198.52 -286.5 PRESSAVG: 3779600 -29.6641 -57.9273 22.3065 -57.9274 -13.2093 7.78308 22.3065 7.78309 12.0329 GPRESSAVG: 3779600 -28.0969 -58.9874 22.2745 -58.7552 -13.3323 6.83737 20.1897 9.52365 11.1099 TIMING: 3779600 CPU: 11943.2, 0.00317371/step Wall: 11943.2, 0.00317371/step, 1.07589 hours remaining, 235.507812 MB of memory in use. ENERGY: 3779600 3997.4059 20555.8230 14480.9508 256.8837 -203074.5122 2495.0046 0.0000 0.0000 52341.5890 -108946.8552 300.8078 -161288.4442 -108588.4249 300.2456 -402.6997 -373.4756 763246.4536 -10.2802 -10.1065 PRESSURE: 3779800 -4.32303 -57.3187 -231.562 -57.3195 -351.092 227.325 -231.562 227.324 -205.031 GPRESSURE: 3779800 -23.465 -56.916 -208.225 -52.9893 -270.22 237.48 -304.946 71.2779 -155.707 PRESSAVG: 3779800 37.6291 -21.7242 -85.1141 -21.7242 23.8034 18.2395 -85.1141 18.2395 3.31145 GPRESSAVG: 3779800 38.3925 -19.662 -85.2159 -21.8923 23.5876 16.5195 -83.5612 16.7498 3.505 TIMING: 3779800 CPU: 11943.8, 0.00318083/step Wall: 11943.8, 0.00318083/step, 1.07812 hours remaining, 235.507812 MB of memory in use. ENERGY: 3779800 4038.8689 20500.2346 14528.2670 232.4413 -203245.4625 2589.0534 0.0000 0.0000 52182.6615 -109173.9359 299.8945 -161356.5974 -108809.0014 300.3222 -186.8153 -149.7975 761632.7133 21.5813 21.8284 PRESSURE: 3780000 -55.4777 -42.968 -20.4847 -42.9675 57.5893 -134.136 -20.4861 -134.136 405.086 GPRESSURE: 3780000 -11.738 -84.198 18.3561 24.695 108.578 -274.694 -98.6921 34.5907 405.789 PRESSAVG: 3780000 2.30517 -1.59433 -29.2825 -1.59428 -24.1749 -7.60459 -29.2825 -7.60469 -25.8783 GPRESSAVG: 3780000 0.90124 -2.82965 -28.6296 -0.728653 -24.0175 -4.45355 -29.3839 -8.12467 -24.9881 TIMING: 3780000 CPU: 11944.5, 0.00318062/step Wall: 11944.5, 0.00318062/step, 1.07788 hours remaining, 235.507812 MB of memory 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 4023.4222 20608.0265 14447.5926 239.9338 -203274.4478 2765.2649 0.0000 0.0000 52245.0267 -108945.1811 300.2529 -161190.2077 -108582.0965 299.9822 135.7324 167.5432 761853.7091 -15.9160 -16.0348 PRESSURE: 3780200 51.976 90.0959 -13.8228 90.0959 -109.738 -91.2843 -13.8223 -91.2846 -155.892 GPRESSURE: 3780200 98.0612 20.5887 -24.641 25.7111 -91.6428 -90.9234 102.639 -55.5171 -141.722 PRESSAVG: 3780200 -4.96826 -13.4095 -16.6358 -13.4095 2.71009 37.7506 -16.6358 37.7506 6.36418 GPRESSAVG: 3780200 -5.6372 -13.9096 -19.1859 -14.3256 2.43983 35.2348 -16.1442 38.4618 7.33575 TIMING: 3780200 CPU: 11945.1, 0.00317221/step Wall: 11945.1, 0.00317221/step, 1.07485 hours remaining, 235.507812 MB of memory in use. ENERGY: 3780200 4026.6052 20397.6182 14563.8539 244.3162 -203366.4561 2634.6725 0.0000 0.0000 52101.1154 -109398.2745 299.4258 -161499.3900 -109032.6531 300.2646 -71.2182 -45.1013 760887.0047 1.3687 1.3795 LDB: ============= START OF LOAD BALANCING ============== 11957.6 LDB: ============== END OF LOAD BALANCING =============== 11957.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11957.6 LDB: ============= START OF LOAD BALANCING ============== 11958 LDB: Largest compute 7076 load 0.032841 is 16.8% of average load 0.195709 LDB: Average compute 0.004405 is 2.3% of average load 0.195709 LDB: TIME 11958 LOAD: AVG 0.195709 MAX 0.212833 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 11958 LOAD: AVG 0.195709 MAX 0.212833 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: TIME 11958 LOAD: AVG 0.195709 MAX 0.212833 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: ============== END OF LOAD BALANCING =============== 11958 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11958 PRESSURE: 3780400 215.256 -182.048 -86.5377 -182.048 -287.926 -68.2158 -86.5368 -68.2165 466.084 GPRESSURE: 3780400 250.152 -17.2267 -109.16 -137.052 -154.448 -194.603 -196.97 24.9992 397.01 PRESSAVG: 3780400 -20.9571 10.2181 -8.36933 10.2181 17.9106 -45.2669 -8.36938 -45.2669 3.60598 GPRESSAVG: 3780400 -21.0086 11.2771 -8.08843 10.6423 19.2921 -44.9871 -5.32292 -44.7026 2.2657 TIMING: 3780400 CPU: 11945.8, 0.00325208/step Wall: 11945.8, 0.00325208/step, 1.10173 hours remaining, 236.656250 MB of memory in use. ENERGY: 3780400 3918.6517 20445.8212 14535.6328 250.1838 -203624.6097 2684.3022 0.0000 0.0000 52299.0263 -109490.9918 300.5632 -161790.0181 -109132.2828 299.2252 131.1379 164.2379 761344.9317 0.1865 0.1831 PRESSURE: 3780600 368.956 1.79208 205.504 1.7919 116.407 203.763 205.504 203.763 -52.3847 GPRESSURE: 3780600 451.506 -15.7171 129.781 31.9369 43.1377 170.836 91.7456 194.453 41.0519 PRESSAVG: 3780600 54.3409 -18.4312 76.0398 -18.4312 -37.3595 4.4019 76.0397 4.40189 13.4781 GPRESSAVG: 3780600 54.7246 -18.613 76.9344 -17.3835 -38.2896 4.94594 71.4555 4.66712 14.0785 TIMING: 3780600 CPU: 11946.4, 0.00317041/step Wall: 11946.4, 0.00317041/step, 1.07389 hours remaining, 236.722656 MB of memory in use. ENERGY: 3780600 3977.8167 20496.0850 14435.2666 242.9362 -203639.5402 2808.5705 0.0000 0.0000 52095.4063 -109583.4588 299.3930 -161678.8651 -109226.9729 299.0039 144.3261 178.5652 761369.3589 10.1532 10.1712 PRESSURE: 3780800 43.9731 -117.051 -225.143 -117.051 291.681 -8.71857 -225.144 -8.71896 355.372 GPRESSURE: 3780800 157.921 -138.061 -218.009 -207.772 310.669 3.8593 21.8912 14.0843 296.515 PRESSAVG: 3780800 20.2859 -71.8113 36.5871 -71.8113 -2.52906 18.7561 36.5871 18.7562 9.93741 GPRESSAVG: 3780800 20.5031 -72.1827 37.3129 -72.8539 -2.23397 19.232 38.4035 17.5843 9.35836 TIMING: 3780800 CPU: 11947, 0.00316625/step Wall: 11947, 0.00316625/step, 1.0723 hours remaining, 236.722656 MB of memory in use. ENERGY: 3780800 3875.2282 20464.5623 14417.4286 242.9676 -203411.1268 2590.1497 0.0000 0.0000 51961.0205 -109859.7700 298.6207 -161820.7905 -109499.6162 298.5789 230.3421 255.0348 761277.5474 9.2314 9.2092 PRESSURE: 3781000 110.667 22.9727 -208.693 22.9726 137.396 -21.3079 -208.694 -21.3077 143.292 GPRESSURE: 3781000 57.6443 79.1313 -221.716 97.8632 141.351 -36.7753 -209.42 89.0936 261.864 PRESSAVG: 3781000 36.0389 19.315 4.12291 19.315 0.333104 -18.8524 4.12292 -18.8524 27.821 GPRESSAVG: 3781000 36.2076 20.9312 1.91482 18.1533 0.0588343 -19.5125 5.28566 -18.8512 27.8785 TIMING: 3781000 CPU: 11947.7, 0.00318077/step Wall: 11947.7, 0.00318077/step, 1.07704 hours remaining, 236.722656 MB of memory in use. ENERGY: 3781000 3900.6831 20463.3859 14465.2643 252.1143 -203770.7456 2899.3420 0.0000 0.0000 51993.5557 -109796.4003 298.8077 -161789.9560 -109434.1170 299.0966 130.4513 153.6197 761594.3576 21.3977 21.3817 PRESSURE: 3781200 82.9855 -173.424 -111.258 -173.422 214.195 56.2284 -111.258 56.2291 237.702 GPRESSURE: 3781200 62.6638 -239.269 -87.5802 -41.5388 273.218 36.9493 -142.863 139.613 273.412 PRESSAVG: 3781200 23.69 23.3149 16.3681 23.315 -53.7274 -52.1033 16.3681 -52.1033 26.7897 GPRESSAVG: 3781200 23.8784 22.6248 17.8486 22.9947 -53.2365 -51.4918 13.909 -50.3403 26.2108 TIMING: 3781200 CPU: 11948.3, 0.00317599/step Wall: 11948.3, 0.00317599/step, 1.07525 hours remaining, 236.722656 MB of memory in use. ENERGY: 3781200 3989.2423 20525.0597 14454.0604 250.1763 -203325.7976 2501.7865 0.0000 0.0000 51734.0046 -109871.4678 297.3160 -161605.4724 -109515.8644 298.7218 178.2941 203.0979 761130.8175 -1.0826 -1.0491 PRESSURE: 3781400 232.941 118.946 -229.531 118.946 37.0181 249.205 -229.531 249.204 374.577 GPRESSURE: 3781400 248.261 21.2102 -240.023 11.4845 139.294 295.835 -169.731 61.197 348.64 PRESSAVG: 3781400 41.0132 41.2119 -28.5269 41.2119 -33.9822 -27.0502 -28.527 -27.0502 -15.1678 GPRESSAVG: 3781400 40.9786 39.6576 -28.2153 42.5629 -33.546 -25.9082 -26.9715 -28.9935 -15.8713 TIMING: 3781400 CPU: 11948.9, 0.00317189/step Wall: 11948.9, 0.00317189/step, 1.07369 hours remaining, 236.722656 MB of memory in use. ENERGY: 3781400 3941.7211 20366.6877 14500.9364 257.0620 -203957.9317 3029.5008 0.0000 0.0000 52099.3275 -109762.6961 299.4156 -161862.0236 -109397.6805 298.5243 214.8456 245.3982 761607.9935 -2.7123 -2.8129 PRESSURE: 3781600 -234.349 39.1612 122.712 39.1608 -137.462 54.8036 122.711 54.804 -326.199 GPRESSURE: 3781600 -135.767 -48.8989 128.365 16.0943 -150.377 59.9145 63.4922 1.49326 -341.66 PRESSAVG: 3781600 -9.39661 18.5733 36.3239 18.5733 38.9445 -8.98934 36.3239 -8.98938 8.01038 GPRESSAVG: 3781600 -9.28687 17.9995 33.845 18.2497 38.2359 -8.92166 36.0677 -12.1155 8.45819 TIMING: 3781600 CPU: 11949.6, 0.00315971/step Wall: 11949.6, 0.00315971/step, 1.06939 hours remaining, 236.722656 MB of memory in use. ENERGY: 3781600 4032.5774 20293.6033 14418.7574 246.9612 -202891.6568 2362.8514 0.0000 0.0000 51853.4856 -109683.4204 298.0027 -161536.9060 -109314.8354 298.6595 -232.6699 -209.2682 763412.9617 12.5194 12.4691 PRESSURE: 3781800 -381 -58.1089 103.152 -58.1081 420.652 -259.168 103.152 -259.169 -22.9042 GPRESSURE: 3781800 -268.977 -187.194 88.7002 50.2177 382.006 -194.843 1.64725 -311.38 -0.505824 PRESSAVG: 3781800 -4.07595 -9.44724 70.9658 -9.44728 20.6689 -7.32259 70.9659 -7.32262 14.3447 GPRESSAVG: 3781800 -3.99878 -8.99408 74.1129 -11.6742 19.2347 -6.68024 67.8587 -6.13171 15.5337 TIMING: 3781800 CPU: 11950.2, 0.0031605/step Wall: 11950.2, 0.0031605/step, 1.06948 hours remaining, 236.722656 MB of memory in use. ENERGY: 3781800 4047.5382 20506.5626 14536.6689 235.8858 -203368.3031 2613.3649 0.0000 0.0000 51903.3646 -109524.9181 298.2893 -161428.2827 -109159.9506 298.7652 5.5826 37.5079 762319.6653 10.3126 10.2565 PRESSURE: 3782000 38.7079 224.638 22.8213 224.638 189.345 -32.0743 22.8203 -32.0749 74.9046 GPRESSURE: 3782000 3.41196 196.245 -1.84291 239.529 260.944 37.7451 -39.8902 -82.7211 118.844 PRESSAVG: 3782000 29.6873 4.0842 14.5027 4.08413 -45.9414 -2.60892 14.5026 -2.60894 21.0657 GPRESSAVG: 3782000 29.0521 4.91822 13.0093 6.44549 -46.3455 -5.21833 15.0595 -0.655781 21.5688 TIMING: 3782000 CPU: 11950.8, 0.00317814/step Wall: 11950.8, 0.00317814/step, 1.07527 hours remaining, 236.722656 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: 3782000 3981.3017 20581.1944 14443.0107 247.5507 -203671.3675 2714.8936 0.0000 0.0000 52137.0136 -109566.4027 299.6321 -161703.4163 -109198.5999 299.0671 100.9860 127.7334 760643.7078 1.6038 1.4251 PRESSURE: 3782200 38.6276 -15.6575 -71.9477 -15.6576 -287.779 -95.2349 -71.9466 -95.2353 -6.52165 GPRESSURE: 3782200 0.871047 114.913 -75.9309 -27.0915 -227.794 -119.646 -30.0971 101.692 44.4692 PRESSAVG: 3782200 3.67995 21.2347 19.6487 21.2347 10.693 -21.015 19.6487 -21.0151 15.481 GPRESSAVG: 3782200 2.83888 22.7302 18.6511 21.2496 11.892 -18.4873 21.2281 -21.9442 14.874 TIMING: 3782200 CPU: 11951.5, 0.00318475/step Wall: 11951.5, 0.00318475/step, 1.07733 hours remaining, 236.722656 MB of memory in use. ENERGY: 3782200 4055.8006 20607.9092 14517.2137 236.1810 -203619.6597 2639.6351 0.0000 0.0000 51899.7020 -109663.2181 298.2683 -161562.9201 -109298.4184 299.0187 -85.2244 -60.8180 761608.6689 9.9513 9.8683 PRESSURE: 3782400 -329.432 -158.036 -66.9747 -158.036 -331.149 149.48 -66.9748 149.48 -133.196 GPRESSURE: 3782400 -294.177 -130.58 -17.7687 -77.5581 -317.133 106.916 -30.7335 55.7378 -107.935 PRESSAVG: 3782400 -2.99015 40.9104 27.3677 40.9104 -35.2397 8.21538 27.3677 8.2154 -21.4541 GPRESSAVG: 3782400 -2.24711 39.9521 27.4885 39.6613 -35.5762 5.03513 27.8172 11.3101 -21.963 TIMING: 3782400 CPU: 11952.1, 0.00317154/step Wall: 11952.1, 0.00317154/step, 1.07269 hours remaining, 236.722656 MB of memory in use. ENERGY: 3782400 4061.2214 20454.5151 14510.1169 225.1920 -203026.6772 2293.3530 0.0000 0.0000 51878.7451 -109603.5338 298.1479 -161482.2788 -109237.8317 298.7858 -264.5925 -239.7483 760113.3423 -19.8947 -19.9288 PRESSURE: 3782600 192.079 -136.787 -180.324 -136.786 420.935 118.504 -180.323 118.506 139.069 GPRESSURE: 3782600 230.893 -200.637 -72.6618 -82.4865 431.062 153.161 -253.949 139.31 168.428 PRESSAVG: 3782600 -7.91237 -32.2687 2.8481 -32.2688 4.56338 -1.24472 2.84809 -1.24471 9.34727 GPRESSAVG: 3782600 -7.82493 -33.4343 4.63138 -31.1267 4.66662 1.22737 3.33705 -3.73687 9.30416 TIMING: 3782600 CPU: 11952.7, 0.00319615/step Wall: 11952.7, 0.00319615/step, 1.08083 hours remaining, 236.722656 MB of memory in use. ENERGY: 3782600 4008.5323 20471.5857 14547.9688 242.9751 -203721.0200 2972.8386 0.0000 0.0000 51907.5001 -109569.6195 298.3131 -161477.1196 -109194.4295 299.0928 250.6943 276.7942 760626.5911 1.9994 2.0486 PRESSURE: 3782800 -394.017 -22.3505 291.25 -22.3515 -251.359 -91.8929 291.248 -91.8948 -407.156 GPRESSURE: 3782800 -350.847 11.6125 352.283 -113.981 -204.771 -79.4037 232.37 -58.2754 -404.712 PRESSAVG: 3782800 -62.1563 -35.5475 -37.3825 -35.5476 60.4191 -62.5569 -37.3825 -62.5568 -13.5342 GPRESSAVG: 3782800 -63.1194 -33.5431 -39.356 -37.1367 61.5183 -62.8856 -37.7778 -61.6322 -13.9747 TIMING: 3782800 CPU: 11953.4, 0.00319019/step Wall: 11953.4, 0.00319019/step, 1.07864 hours remaining, 236.722656 MB of memory in use. ENERGY: 3782800 4143.6934 20584.9838 14448.7726 256.1184 -203294.4905 2451.0238 0.0000 0.0000 51902.5299 -109507.3686 298.2846 -161409.8985 -109151.0125 299.5828 -350.8440 -320.1097 762182.5522 -5.0905 -5.1919 PRESSURE: 3783000 -27.3739 7.53431 11.7916 7.53443 112.141 99.1186 11.7908 99.1192 -81.2322 GPRESSURE: 3783000 43.8169 -56.4536 -39.3271 -72.8268 50.4919 159.226 70.7756 71.4001 -1.47896 PRESSAVG: 3783000 3.05434 -28.6488 22.7487 -28.6488 22.9193 23.0612 22.7487 23.0613 -17.4745 GPRESSAVG: 3783000 3.39693 -29.6169 23.5501 -28.5124 22.5705 21.6516 21.75 22.9316 -17.6196 TIMING: 3783000 CPU: 11954, 0.00318409/step Wall: 11954, 0.00318409/step, 1.0764 hours remaining, 236.722656 MB of memory in use. ENERGY: 3783000 4022.4321 20471.0394 14477.0649 230.4214 -203473.2510 2680.0101 0.0000 0.0000 52273.3717 -109318.9113 300.4158 -161592.2831 -108954.8483 299.5860 1.1785 30.9433 760673.6159 2.8331 2.7826 PRESSURE: 3783200 -220.172 47.7404 26.9686 47.7409 55.458 37.6274 26.9681 37.6279 -300.543 GPRESSURE: 3783200 -207.917 106.074 160.406 66.3054 94.8619 -33.2642 -4.50044 107.59 -267.85 PRESSAVG: 3783200 -35.4297 7.39037 23.7369 7.39037 24.6766 -24.7889 23.7369 -24.789 -31.4209 GPRESSAVG: 3783200 -35.1255 7.68184 24.8113 9.14526 24.4207 -24.4668 26.6455 -25.5184 -31.8766 TIMING: 3783200 CPU: 11954.7, 0.0031626/step Wall: 11954.7, 0.0031626/step, 1.06896 hours remaining, 236.722656 MB of memory in use. ENERGY: 3783200 4026.7287 20619.1907 14437.1559 238.6303 -203505.4717 2696.2516 0.0000 0.0000 52029.2466 -109458.2680 299.0128 -161487.5145 -109091.6708 299.5962 -155.0858 -126.9684 760633.1299 -14.0580 -14.1938 PRESSURE: 3783400 -199.579 57.8176 0.187395 57.8181 -108.195 -98.2062 0.188031 -98.2062 -75.6076 GPRESSURE: 3783400 -187.691 41.0329 7.22621 33.8204 -11.5619 -118.522 58.7829 -55.9552 -108.005 PRESSAVG: 3783400 -13.8657 -13.3606 -28.5059 -13.3606 22.4842 -33.0594 -28.5059 -33.0593 -4.20888 GPRESSAVG: 3783400 -12.9326 -14.7668 -29.445 -15.3417 22.274 -34.2925 -28.9103 -29.3487 -5.10533 TIMING: 3783400 CPU: 11955.3, 0.00318279/step Wall: 11955.3, 0.00318279/step, 1.07561 hours remaining, 236.722656 MB of memory in use. ENERGY: 3783400 4016.3942 20511.7271 14467.5165 260.8531 -203423.0389 2569.6634 0.0000 0.0000 52137.8233 -109459.0614 299.6368 -161596.8847 -109092.3914 299.3945 -127.7940 -102.4192 761893.8624 1.4699 1.4120 PRESSURE: 3783600 -391.527 -152.803 139.621 -152.803 -272.48 -197.466 139.621 -197.465 -157.945 GPRESSURE: 3783600 -361.296 -238.937 173.815 -187.835 -256.228 -259.52 99.7229 -221.699 -111.875 PRESSAVG: 3783600 -20.5089 -9.75085 43.623 -9.75084 27.45 -37.8093 43.623 -37.8093 1.06189 GPRESSAVG: 3783600 -20.8698 -9.73872 45.0689 -7.2387 27.4064 -35.4638 42.8234 -41.9878 1.70764 TIMING: 3783600 CPU: 11955.9, 0.00317822/step Wall: 11955.9, 0.00317822/step, 1.07389 hours remaining, 236.722656 MB of memory in use. ENERGY: 3783600 4019.0260 20591.8409 14395.9532 251.5624 -203593.4826 2644.6955 0.0000 0.0000 52071.2827 -109619.1221 299.2544 -161690.4047 -109256.3070 298.8622 -273.9839 -243.1332 761720.2193 2.6677 2.7481 PRESSURE: 3783800 100.664 -21.5707 -280.748 -21.5705 210.8 -197.28 -280.748 -197.28 -464.808 GPRESSURE: 3783800 99.0449 0.0394505 -347.285 -61.734 278.029 -273.843 -354.508 -97.0781 -437.188 PRESSAVG: 3783800 -71.4349 -36.6175 4.64046 -36.6175 101.107 -72.8997 4.6405 -72.8997 11.8961 GPRESSAVG: 3783800 -71.9059 -36.0026 4.37871 -37.6455 102.017 -74.4938 2.9459 -70.6414 11.1993 TIMING: 3783800 CPU: 11956.6, 0.00318411/step Wall: 11956.6, 0.00318411/step, 1.0757 hours remaining, 236.722656 MB of memory in use. ENERGY: 3783800 3949.1451 20327.6639 14421.6703 265.5751 -203396.8409 2652.6114 0.0000 0.0000 52153.3277 -109626.8474 299.7259 -161780.1751 -109253.7318 298.8082 -51.1149 -20.0382 761317.4277 13.8561 13.7702 PRESSURE: 3784000 175.846 -16.4052 -220.865 -16.4048 119.344 101.867 -220.865 101.868 103.02 GPRESSURE: 3784000 288.196 -24.6024 -180.844 9.22574 134.539 128.99 -231.373 62.6295 50.1687 PRESSAVG: 3784000 -42.1025 -48.2596 5.39398 -48.2595 37.485 28.4418 5.39404 28.4418 -13.5029 GPRESSAVG: 3784000 -42.7822 -48.1222 4.61496 -47.9126 36.9035 29.4829 5.95738 25.7458 -12.2728 TIMING: 3784000 CPU: 11957.2, 0.00319234/step Wall: 11957.2, 0.00319234/step, 1.0783 hours remaining, 236.722656 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: 3784000 4004.2977 20590.3050 14437.8147 246.0898 -203709.3858 2970.9465 0.0000 0.0000 51870.8379 -109589.0942 298.1024 -161459.9321 -109219.5793 299.1022 132.7366 157.6347 759680.6599 -6.0401 -6.0505 PRESSURE: 3784200 -281.107 -52.6393 59.3907 -52.639 15.6915 123.088 59.3904 123.088 62.3157 GPRESSURE: 3784200 -163.249 39.0353 2.29705 -33.4312 20.6833 51.6125 -14.7365 176.492 28.1089 PRESSAVG: 3784200 1.73372 9.57018 -0.0324435 9.57022 24.1866 -34.2428 -0.0323796 -34.2428 10.1023 GPRESSAVG: 3784200 3.19992 10.3624 1.25177 8.43361 22.9838 -33.4658 1.61411 -33.0208 9.98583 TIMING: 3784200 CPU: 11957.8, 0.0031572/step Wall: 11957.8, 0.0031572/step, 1.06626 hours remaining, 236.722656 MB of memory in use. ENERGY: 3784200 3954.1914 20629.2135 14386.3369 241.1670 -202978.0863 2351.9193 0.0000 0.0000 52268.2186 -109147.0397 300.3862 -161415.2583 -108782.7263 299.5909 -67.7001 -38.1523 761754.6186 12.0075 12.0565 LDB: ============= START OF LOAD BALANCING ============== 11970.4 LDB: ============== END OF LOAD BALANCING =============== 11970.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11970.4 LDB: ============= START OF LOAD BALANCING ============== 11970.7 LDB: Largest compute 7075 load 0.033305 is 17.0% of average load 0.195615 LDB: Average compute 0.004398 is 2.2% of average load 0.195615 LDB: TIME 11970.7 LOAD: AVG 0.195615 MAX 0.213886 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 11970.7 LOAD: AVG 0.195615 MAX 0.213886 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 11970.7 LOAD: AVG 0.195615 MAX 0.213886 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: ============== END OF LOAD BALANCING =============== 11970.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11970.7 PRESSURE: 3784400 -420.332 112.915 -103.112 112.915 -123.729 88.1656 -103.111 88.165 -116.714 GPRESSURE: 3784400 -297.102 -3.44023 -183.971 169.854 -124.34 36.0842 -123.099 191.14 -165.16 PRESSAVG: 3784400 29.6498 15.8998 -5.70423 15.8998 -13.8827 -2.70646 -5.70421 -2.70643 9.75823 GPRESSAVG: 3784400 29.7296 16.3319 -6.44112 16.6231 -13.4523 -3.12409 -7.33011 -5.0179 9.85334 TIMING: 3784400 CPU: 11958.5, 0.00322076/step Wall: 11958.5, 0.00322076/step, 1.08754 hours remaining, 235.191406 MB of memory in use. ENERGY: 3784400 4097.7402 20620.8486 14472.1721 256.3468 -202872.0292 2258.4982 0.0000 0.0000 52177.6683 -108988.7550 299.8658 -161166.4233 -108624.9555 299.9660 -220.2585 -195.5340 762481.2984 8.5084 8.7102 PRESSURE: 3784600 -274.393 -221.177 50.2344 -221.178 -181.712 -67.4045 50.2345 -67.4034 115.044 GPRESSURE: 3784600 -217.873 -197.124 27.0117 -166.043 -107.049 43.7822 -22.4882 -87.9839 58.2638 PRESSAVG: 3784600 -1.08616 3.59886 -21.2422 3.59891 -11.1796 24.7695 -21.2422 24.7695 -5.07081 GPRESSAVG: 3784600 -2.57753 2.96729 -22.0365 3.7089 -10.8324 25.7751 -20.0004 26.3532 -3.78257 TIMING: 3784600 CPU: 11959.1, 0.00316594/step Wall: 11959.1, 0.00316594/step, 1.06886 hours remaining, 235.890625 MB of memory in use. ENERGY: 3784600 4059.5948 20745.1485 14424.8001 261.7358 -203211.1067 2616.9375 0.0000 0.0000 52092.2132 -109010.6770 299.3747 -161102.8902 -108646.8367 300.3617 -113.6872 -88.8862 762400.8129 -5.7789 -5.7308 PRESSURE: 3784800 288.644 -119.743 45.2172 -119.743 -8.32498 84.8419 45.2175 84.842 466.232 GPRESSURE: 3784800 312.245 -158.658 13.0727 -50.2949 88.7715 0.620193 60.9356 -32.2636 417.055 PRESSAVG: 3784800 11.8049 -34.8876 12.3116 -34.8876 38.5702 1.00952 12.3116 1.00955 -3.66924 GPRESSAVG: 3784800 12.1022 -35.7136 12.744 -34.5549 38.6757 -0.785978 11.5586 1.49439 -3.88839 TIMING: 3784800 CPU: 11959.7, 0.00315595/step Wall: 11959.7, 0.00315595/step, 1.06531 hours remaining, 235.890625 MB of memory in use. ENERGY: 3784800 3970.5161 20591.3220 14489.3651 234.5492 -202995.5981 2353.1188 0.0000 0.0000 52199.8955 -109156.8313 299.9935 -161356.7268 -108792.4039 299.9747 248.8503 272.6907 761549.7859 15.5686 15.6299 PRESSURE: 3785000 -218.439 -211.334 92.8934 -211.334 -213.402 -243.772 92.8923 -243.772 70.5026 GPRESSURE: 3785000 -185.225 -143.452 80.794 -53.6939 -171.143 -200.653 33.4698 -79.2701 83.8241 PRESSAVG: 3785000 18.0876 -39.4791 13.2235 -39.4791 -33.876 -69.0882 13.2235 -69.0883 -6.22863 GPRESSAVG: 3785000 19.6744 -39.5904 13.9472 -38.1227 -34.5272 -69.5212 13.7355 -69.3896 -7.69594 TIMING: 3785000 CPU: 11960.4, 0.00316238/step Wall: 11960.4, 0.00316238/step, 1.0673 hours remaining, 235.890625 MB of memory in use. ENERGY: 3785000 4036.4189 20559.3190 14466.5291 239.0526 -203362.5528 2624.0828 0.0000 0.0000 52368.5221 -109068.6282 300.9626 -161437.1503 -108706.6185 300.3212 -120.4462 -90.8481 762293.6756 -7.3390 -7.5163 PRESSURE: 3785200 -263.603 -71.2117 -142.535 -71.2115 -100.466 -13.4778 -142.535 -13.4771 -213.128 GPRESSURE: 3785200 -217.221 -81.3205 -146.533 -23.2515 -76.4871 4.73959 -83.9922 88.7202 -201.969 PRESSAVG: 3785200 92.4786 7.20952 -13.3731 7.20957 -53.8313 -5.01604 -13.3731 -5.0161 -3.40103 GPRESSAVG: 3785200 90.8897 6.25908 -13.0467 6.8036 -53.5646 -4.59384 -14.3904 -3.45157 -2.33227 TIMING: 3785200 CPU: 11961, 0.00317516/step Wall: 11961, 0.00317516/step, 1.07144 hours remaining, 235.890625 MB of memory in use. ENERGY: 3785200 4046.7328 20594.9242 14430.4672 253.2195 -203419.5582 2566.5340 0.0000 0.0000 52487.0489 -109040.6317 301.6438 -161527.6806 -108672.1854 300.5871 -192.3988 -165.2259 760425.3398 11.7487 11.6643 PRESSURE: 3785400 -118.363 155.021 -73.6955 155.022 295.915 153.989 -73.6947 153.99 71.0386 GPRESSURE: 3785400 -34.6158 138.311 -95.4039 68.3243 296.013 117.023 -94.1795 296.878 67.2172 PRESSAVG: 3785400 27.5883 -15.0341 -36.0543 -15.0341 -49.7226 90.6073 -36.0542 90.6073 -48.3396 GPRESSAVG: 3785400 27.8727 -12.8856 -37.1911 -16.0393 -50.4071 90.9844 -36.3054 90.4756 -47.4341 TIMING: 3785400 CPU: 11961.6, 0.00316429/step Wall: 11961.6, 0.00316429/step, 1.0676 hours remaining, 235.890625 MB of memory in use. ENERGY: 3785400 4043.9704 20618.1707 14537.2917 262.5649 -203782.4961 2811.7647 0.0000 0.0000 52225.3271 -109283.4068 300.1397 -161508.7338 -108915.6197 300.4990 82.8636 109.5382 759612.0227 -23.4913 -23.3229 PRESSURE: 3785600 229.23 77.5803 152.854 77.5813 107.107 -88.3854 152.854 -88.3856 -391.305 GPRESSURE: 3785600 251.672 91.7645 114.123 31.8756 116.328 -135.015 120.438 -193.514 -331.436 PRESSAVG: 3785600 1.6748 -23.9931 -4.22147 -23.9932 -8.85414 -6.15866 -4.22153 -6.15862 -2.48875 GPRESSAVG: 3785600 2.19829 -23.079 -2.79465 -26.2959 -8.68811 -5.97881 -3.61389 -8.36187 -3.33968 TIMING: 3785600 CPU: 11962.3, 0.00317744/step Wall: 11962.3, 0.00317744/step, 1.07186 hours remaining, 235.890625 MB of memory in use. ENERGY: 3785600 3994.0173 20670.5676 14485.4898 250.6666 -203534.1285 2849.2619 0.0000 0.0000 51950.1480 -109333.9773 298.5582 -161284.1253 -108979.6555 300.1169 -18.3225 12.1880 761094.9324 -3.2227 -3.2765 PRESSURE: 3785800 -141.77 -98.6264 -18.2953 -98.6255 88.6235 54.1773 -18.2949 54.1768 -88.6696 GPRESSURE: 3785800 -171.467 -46.0001 -19.0952 -108.653 142.893 19.8894 -43.9576 37.689 -12.4249 PRESSAVG: 3785800 64.562 18.2004 21.6835 18.2004 -27.6112 -63.5927 21.6835 -63.5926 -20.0314 GPRESSAVG: 3785800 64.049 17.3098 21.6307 20.024 -26.5806 -64.1112 22.0354 -63.6751 -20.4783 TIMING: 3785800 CPU: 11962.9, 0.00315104/step Wall: 11962.9, 0.00315105/step, 1.06278 hours remaining, 235.890625 MB of memory in use. ENERGY: 3785800 4023.3201 20570.7758 14508.6130 243.8016 -203325.5209 2342.9456 0.0000 0.0000 52302.0702 -109333.9945 300.5807 -161636.0647 -108971.9586 299.9132 -47.2719 -13.6665 761295.4630 5.6398 5.6634 PRESSURE: 3786000 -15.6286 40.9537 133.031 40.9538 -72.377 76.7309 133.031 76.7305 56.3733 GPRESSURE: 3786000 44.2737 110.473 30.6216 -46.4028 -39.0848 115.83 195.894 142.92 58.9163 PRESSAVG: 3786000 22.1939 -12.128 34.4351 -12.128 7.01356 -19.5073 34.4351 -19.5073 -4.86945 GPRESSAVG: 3786000 22.0462 -12.6045 35.4976 -9.6417 7.40261 -19.1802 34.041 -19.8048 -5.33803 TIMING: 3786000 CPU: 11963.5, 0.00317265/step Wall: 11963.5, 0.00317265/step, 1.06989 hours remaining, 235.890625 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: 3786000 3983.2746 20432.6566 14472.4512 243.3700 -203676.6274 2855.8691 0.0000 0.0000 52262.5050 -109426.5009 300.3533 -161689.0059 -109067.7128 300.0089 -10.5441 21.3684 762210.2214 8.1127 8.0369 PRESSURE: 3786200 56.9705 111.498 -126.938 111.498 142.866 81.3813 -126.938 81.3809 -260.209 GPRESSURE: 3786200 70.3795 83.298 -67.8721 7.82423 110.27 39.2286 -32.2564 -41.3617 -170.031 PRESSAVG: 3786200 39.6653 -29.1549 -22.9366 -29.1549 -44.4213 7.29124 -22.9366 7.29118 3.55029 GPRESSAVG: 3786200 40.1237 -28.9725 -23.0555 -31.2307 -45.7094 5.37994 -20.9374 7.79882 4.01483 TIMING: 3786200 CPU: 11964.2, 0.0031503/step Wall: 11964.2, 0.0031503/step, 1.06218 hours remaining, 235.960938 MB of memory in use. ENERGY: 3786200 3979.3847 20601.5217 14471.0143 247.5383 -203799.9913 2785.0460 0.0000 0.0000 52231.3193 -109484.1668 300.1741 -161715.4862 -109110.6918 299.6196 -20.1242 3.5394 760274.8069 -0.4019 -0.5236 PRESSURE: 3786400 -70.502 -144.044 -204.679 -144.045 -482.431 -101.266 -204.679 -101.265 187.603 GPRESSURE: 3786400 -136.496 -133.758 -216.352 -168.944 -328.937 -83.1789 -352.531 -31.9316 186.958 PRESSAVG: 3786400 48.1262 38.179 -25.6592 38.179 -24.9903 -10.1367 -25.6592 -10.1368 -18.6815 GPRESSAVG: 3786400 48.5594 38.6428 -27.648 36.6942 -23.5845 -6.91786 -26.2716 -10.7179 -19.6364 TIMING: 3786400 CPU: 11964.8, 0.00316092/step Wall: 11964.8, 0.00316092/step, 1.06558 hours remaining, 235.960938 MB of memory in use. ENERGY: 3786400 4027.0891 20590.2934 14422.6829 228.7232 -202999.9856 2272.4707 0.0000 0.0000 51951.5541 -109507.1722 298.5663 -161458.7263 -109144.9876 299.4984 -121.7766 -92.8251 762178.9667 1.4848 1.7795 PRESSURE: 3786600 180.688 -93.1032 -128.027 -93.1029 180.536 45.0639 -128.027 45.0647 -45.2728 GPRESSURE: 3786600 278.605 -134.235 -97.817 -71.8179 141.549 33.5728 -111.498 -13.8083 -11.9884 PRESSAVG: 3786600 20.1168 -8.95259 14.038 -8.95263 -9.23257 36.7018 14.0379 36.7018 12.456 GPRESSAVG: 3786600 19.6579 -9.58754 14.7213 -8.31873 -10.3396 34.8017 11.476 38.0062 13.7583 TIMING: 3786600 CPU: 11965.4, 0.00316825/step Wall: 11965.4, 0.00316825/step, 1.06788 hours remaining, 235.960938 MB of memory in use. ENERGY: 3786600 3947.8341 20533.1744 14404.2922 263.8103 -203564.0097 2745.3869 0.0000 0.0000 52267.5674 -109401.9443 300.3824 -161669.5117 -109031.2846 299.6564 105.3172 136.0553 759816.7945 7.7801 7.6922 PRESSURE: 3786800 -317.854 -141.44 -56.4379 -141.439 -24.728 -205.57 -56.4383 -205.569 -306.998 GPRESSURE: 3786800 -366.475 -82.1714 -55.222 -80.399 50.6039 -250.866 52.8522 -77.8172 -238.645 PRESSAVG: 3786800 15.128 25.1751 81.7751 25.1752 -50.6774 40.586 81.775 40.586 -9.39112 GPRESSAVG: 3786800 15.5296 27.0329 82.2177 25.1982 -51.6106 39.7594 82.7534 41.804 -8.97043 TIMING: 3786800 CPU: 11966.1, 0.00315123/step Wall: 11966.1, 0.00315123/step, 1.06197 hours remaining, 235.960938 MB of memory in use. ENERGY: 3786800 4042.8859 20590.4621 14565.0143 242.9076 -203448.2107 2579.1091 0.0000 0.0000 51983.2069 -109444.6248 298.7482 -161427.8318 -109084.6354 299.5474 -216.5266 -184.8388 761906.2709 -14.9802 -15.0172 PRESSURE: 3787000 -285.382 -50.5694 110.476 -50.5688 -36.3165 191.26 110.475 191.261 182.597 GPRESSURE: 3787000 -265.895 -142.577 54.7548 -29.984 39.4329 127.284 137.807 114.424 149.641 PRESSAVG: 3787000 29.6526 -15.9927 42.0713 -15.9927 -15.0125 -34.6575 42.0714 -34.6575 -17.2117 GPRESSAVG: 3787000 28.7821 -19.7473 40.595 -14.6222 -14.0526 -35.8314 42.7731 -34.7925 -17.9271 TIMING: 3787000 CPU: 11966.7, 0.00316158/step Wall: 11966.7, 0.00316158/step, 1.06528 hours remaining, 235.960938 MB of memory in use. ENERGY: 3787000 4023.1610 20507.6134 14484.7939 253.3993 -203465.7382 2473.3604 0.0000 0.0000 52153.4754 -109569.9347 299.7267 -161723.4101 -109218.3639 299.6682 -46.3670 -25.6069 761073.7679 -0.8572 -1.0659 PRESSURE: 3787200 -90.3554 112.849 -59.1046 112.849 -44.424 58.841 -59.1046 58.8407 27.3289 GPRESSURE: 3787200 -109.398 90.0544 51.0373 91.8015 55.2841 146.941 -72.3435 172.681 32.4521 PRESSAVG: 3787200 28.6315 -30.1676 53.6713 -30.1675 -7.03374 24.4557 53.6713 24.4557 -11.6199 GPRESSAVG: 3787200 29.298 -30.1779 54.7485 -30.429 -6.88529 25.6005 53.0586 22.9003 -12.5927 TIMING: 3787200 CPU: 11967.3, 0.003177/step Wall: 11967.3, 0.003177/step, 1.07029 hours remaining, 235.960938 MB of memory in use. ENERGY: 3787200 4018.7970 20622.8436 14533.5706 237.8953 -203153.1477 2053.2801 0.0000 0.0000 52244.2338 -109442.5272 300.2483 -161686.7610 -109072.2848 298.9711 -35.8168 -7.2206 761305.2663 3.3260 3.2733 PRESSURE: 3787400 94.5246 -106.82 183.142 -106.819 -287.88 118.82 183.142 118.82 -96.589 GPRESSURE: 3787400 226.533 -93.532 200.476 -123.612 -239.824 102.389 149.632 180.839 -184.935 PRESSAVG: 3787400 55.3732 -5.77843 43.1754 -5.77833 -20.9547 14.8376 43.1754 14.8376 -0.380891 GPRESSAVG: 3787400 56.1014 -4.14737 42.7565 -4.91694 -22.451 14.4903 41.9607 17.4831 0.927363 TIMING: 3787400 CPU: 11968, 0.00318264/step Wall: 11968, 0.00318264/step, 1.07202 hours remaining, 235.960938 MB of memory in use. ENERGY: 3787400 4021.4924 20719.9436 14467.3774 244.1048 -203537.4675 2418.9056 0.0000 0.0000 52538.8311 -109126.8127 301.9414 -161665.6438 -108767.2902 299.3476 -96.6482 -66.0754 760777.5239 11.3459 11.5259 PRESSURE: 3787600 -367.797 -144.245 -141.615 -144.246 -175.423 -7.45037 -141.615 -7.4497 82.3931 GPRESSURE: 3787600 -206.835 -151.868 -195.879 -138.029 -236.941 -1.48316 -96.7433 -53.5198 70.036 PRESSAVG: 3787600 67.6232 14.8 0.645867 14.8 -55.4332 -12.1646 0.645896 -12.1646 28.7859 GPRESSAVG: 3787600 67.6021 15.8815 2.08702 12.6517 -54.945 -11.8106 -0.939271 -15.2476 28.8769 TIMING: 3787600 CPU: 11968.6, 0.00317022/step Wall: 11968.6, 0.00317022/step, 1.06766 hours remaining, 235.960938 MB of memory in use. ENERGY: 3787600 3941.6469 20685.6121 14500.3932 257.2900 -202983.2162 2242.9115 0.0000 0.0000 52138.7493 -109216.6131 299.6421 -161355.3624 -108848.8730 299.7634 -153.6089 -124.5800 761404.1504 13.6586 13.8446 PRESSURE: 3787800 154.775 50.4854 -65.9973 50.4857 -126.082 48.8325 -65.9966 48.8316 -78.0554 GPRESSURE: 3787800 170.041 25.7532 -84.8303 23.4886 -58.0753 46.7449 -17.0398 11.0683 -59.045 PRESSAVG: 3787800 100.16 -14.1808 -0.240294 -14.1808 -39.3902 16.6881 -0.240292 16.6882 -19.282 GPRESSAVG: 3787800 100.323 -14.3527 -1.00598 -13.0395 -39.3366 15.6555 4.27305 16.8134 -19.5482 TIMING: 3787800 CPU: 11969.2, 0.00316171/step Wall: 11969.2, 0.00316171/step, 1.06462 hours remaining, 235.960938 MB of memory in use. ENERGY: 3787800 4004.9873 20734.6956 14448.8717 238.2463 -203591.5320 2802.8551 0.0000 0.0000 51916.8514 -109445.0246 298.3669 -161361.8760 -109078.3189 299.6020 -16.4540 17.6402 761024.2246 13.8292 13.8127 PRESSURE: 3788000 412.034 -81.4824 -58.1302 -81.482 358.855 124.416 -58.1307 124.417 451.991 GPRESSURE: 3788000 458.798 31.1211 -91.5296 -35.6133 393.865 72.9871 -112.576 38.2243 460.701 PRESSAVG: 3788000 -18.1109 51.9327 -36.0497 51.9327 13.4211 20.1744 -36.0498 20.1743 -15.2822 GPRESSAVG: 3788000 -18.5873 51.2016 -35.733 50.1692 13.6215 21.3082 -40.4986 19.1232 -14.5948 TIMING: 3788000 CPU: 11969.9, 0.00314789/step Wall: 11969.9, 0.00314789/step, 1.05979 hours remaining, 235.960938 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: 3788000 3952.3811 20564.9987 14428.2633 235.9427 -203805.7387 3168.6561 0.0000 0.0000 51934.7842 -109520.7126 298.4699 -161455.4967 -109160.1548 299.3541 407.6267 437.7884 762364.4217 -6.6573 -6.5202 PRESSURE: 3788200 -239.429 -72.4348 -155.967 -72.434 -78.8534 -94.7388 -155.967 -94.7381 -442.613 GPRESSURE: 3788200 -189.795 41.1533 -215.887 -103.543 -49.4486 -149.102 -8.48275 -111.037 -445.4 PRESSAVG: 3788200 17.4283 -51.8166 -42.804 -51.8166 -12.4681 -27.5695 -42.804 -27.5695 11.7742 GPRESSAVG: 3788200 17.9595 -51.7373 -44.1431 -48.4364 -11.712 -26.8602 -38.9772 -27.3057 9.99628 TIMING: 3788200 CPU: 11970.5, 0.00315999/step Wall: 11970.5, 0.00315999/step, 1.06369 hours remaining, 235.960938 MB of memory in use. ENERGY: 3788200 4017.0715 20555.8686 14439.6002 237.8045 -203289.7411 2487.5353 0.0000 0.0000 51849.1233 -109702.7375 297.9776 -161551.8609 -109339.9273 298.5671 -253.6317 -228.2142 762563.3754 5.5781 5.4146 LDB: ============= START OF LOAD BALANCING ============== 11983 LDB: ============== END OF LOAD BALANCING =============== 11983 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11983 LDB: ============= START OF LOAD BALANCING ============== 11983.3 LDB: Largest compute 7075 load 0.033483 is 17.1% of average load 0.195598 LDB: Average compute 0.004385 is 2.2% of average load 0.195598 LDB: TIME 11983.3 LOAD: AVG 0.195598 MAX 0.214489 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 11983.3 LOAD: AVG 0.195598 MAX 0.214489 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: TIME 11983.3 LOAD: AVG 0.195598 MAX 0.214489 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.496 MB LDB: ============== END OF LOAD BALANCING =============== 11983.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11983.4 PRESSURE: 3788400 249.599 23.2067 54.4401 23.2062 -39.8129 117.09 54.44 117.092 181.824 GPRESSURE: 3788400 364.71 137.937 21.3474 -150.631 -21.0661 88.2358 99.5302 233.469 130.468 PRESSAVG: 3788400 40.5755 14.8386 -49.2402 14.8386 -14.2648 -17.0369 -49.2402 -17.0369 8.14432 GPRESSAVG: 3788400 39.4628 16.3544 -47.2297 12.5261 -14.2275 -18.8561 -50.1293 -13.4838 9.52864 TIMING: 3788400 CPU: 11971.1, 0.00320301/step Wall: 11971.1, 0.00320301/step, 1.07799 hours remaining, 235.906250 MB of memory in use. ENERGY: 3788400 3947.9482 20461.8854 14446.1167 259.5370 -203856.1778 2798.6670 0.0000 0.0000 52218.5106 -109723.5129 300.1005 -161942.0234 -109361.9511 298.2265 130.5365 158.0373 759105.5091 11.4850 11.5880 PRESSURE: 3788600 -37.896 -0.677293 -9.84788 -0.676567 57.2091 -14.5445 -9.84836 -14.5451 333.848 GPRESSURE: 3788600 -18.1533 -117.311 6.85256 -51.3155 172.348 -39.2742 7.80617 -125.52 296.777 PRESSAVG: 3788600 25.9347 30.027 18.7522 30.0269 -12.0605 10.6353 18.7522 10.6353 -2.91164 GPRESSAVG: 3788600 27.2382 28.6117 18.6472 29.8997 -12.6464 12.455 19.4816 7.84352 -4.03016 TIMING: 3788600 CPU: 11971.8, 0.00314747/step Wall: 11971.8, 0.00314747/step, 1.05912 hours remaining, 236.109375 MB of memory in use. ENERGY: 3788600 4002.9900 20451.4677 14433.8273 231.9301 -203307.5034 2606.1641 0.0000 0.0000 51941.6070 -109639.5173 298.5091 -161581.1243 -109263.0610 298.9189 117.7203 150.3240 761431.1692 3.6542 3.5205 PRESSURE: 3788800 106.974 -135.694 48.7399 -135.693 355.922 -190.882 48.7398 -190.884 -37.7937 GPRESSURE: 3788800 195.798 -201.798 61.5407 -140.071 255.682 -151.804 -127.371 -142.411 78.5946 PRESSAVG: 3788800 -11.3817 23.445 -0.999598 23.4449 -42.8061 14.3491 -0.999565 14.3491 6.38913 GPRESSAVG: 3788800 -10.6622 24.5385 -1.74465 23.2964 -43.3455 13.187 -2.36478 14.7811 6.48998 TIMING: 3788800 CPU: 11972.4, 0.0031318/step Wall: 11972.4, 0.0031318/step, 1.05368 hours remaining, 236.109375 MB of memory in use. ENERGY: 3788800 4054.9718 20570.5404 14462.7346 242.4256 -203686.6670 2869.0911 0.0000 0.0000 52042.4493 -109444.4542 299.0887 -161486.9035 -109078.1020 299.0400 141.7009 176.6915 761014.6747 -15.9329 -15.8392 PRESSURE: 3789000 -224.505 -262.815 -44.2537 -262.814 -232.544 40.4898 -44.2531 40.4897 -312.907 GPRESSURE: 3789000 -199.963 -247.025 -55.3631 -104.368 -205.185 139.873 -122.506 -25.649 -278.866 PRESSAVG: 3789000 15.589 -38.3074 7.04101 -38.3075 -19.3358 50.4516 7.04101 50.4516 -10.2389 GPRESSAVG: 3789000 14.6001 -40.3423 7.20175 -36.6205 -19.2923 50.835 5.50716 50.6263 -9.28421 TIMING: 3789000 CPU: 11973, 0.00315107/step Wall: 11973, 0.00315107/step, 1.05999 hours remaining, 236.109375 MB of memory in use. ENERGY: 3789000 4000.3947 20438.8052 14412.7960 247.3977 -203123.2405 2420.8977 0.0000 0.0000 52238.4851 -109364.4640 300.2153 -161602.9491 -108988.4153 299.5666 -256.6521 -228.0045 761999.1039 -4.6619 -4.6588 PRESSURE: 3789200 -120.676 -126.482 -209.833 -126.482 270.507 78.4142 -209.833 78.414 -138.468 GPRESSURE: 3789200 -99.33 -213.961 -258.27 -19.6148 318.197 128.064 -109.981 84.5233 -110.005 PRESSAVG: 3789200 -3.26077 10.4057 -35.3301 10.4057 -8.68271 -0.745213 -35.3301 -0.745215 -5.25315 GPRESSAVG: 3789200 -2.99524 10.5264 -35.5285 10.2761 -8.87857 -0.439905 -32.8554 0.571578 -5.93155 TIMING: 3789200 CPU: 11973.7, 0.00314965/step Wall: 11973.7, 0.00314965/step, 1.05933 hours remaining, 236.109375 MB of memory in use. ENERGY: 3789200 4075.5302 20702.8948 14452.6629 237.2255 -203306.0361 2568.8967 0.0000 0.0000 51933.1321 -109335.6939 298.4604 -161268.8260 -108979.3349 299.6626 3.7873 36.2874 762070.1694 -5.7322 -5.9351 PRESSURE: 3789400 14.8941 203.564 -188.001 203.564 -236.469 -35.5755 -188.002 -35.5763 -363.055 GPRESSURE: 3789400 15.1579 185.597 -163.048 266.582 -132.719 -60.7424 -113.958 -123.322 -391.968 PRESSAVG: 3789400 -2.21422 32.1492 -75.683 32.1492 -40.3988 -7.50187 -75.6831 -7.50182 -44.594 GPRESSAVG: 3789400 -4.04496 34.1143 -75.9184 29.7663 -38.7049 -8.36561 -74.6302 -9.16881 -44.1533 TIMING: 3789400 CPU: 11974.3, 0.00315747/step Wall: 11974.3, 0.00315747/step, 1.06179 hours remaining, 236.109375 MB of memory in use. ENERGY: 3789400 3914.2679 20630.6322 14500.5209 233.1497 -203821.6791 2765.6626 0.0000 0.0000 52410.2568 -109367.1890 301.2025 -161777.4458 -109007.7455 299.7781 -194.8767 -169.8432 760816.4834 -29.0690 -28.9677 PRESSURE: 3789600 6.60511 -67.326 85.9775 -67.3261 94.708 26.9291 85.9768 26.9297 123.129 GPRESSURE: 3789600 10.6627 -98.7933 51.6724 -140.546 130.621 89.9355 46.7894 10.4262 173.921 PRESSAVG: 3789600 -7.26019 43.0287 12.8201 43.0287 4.06097 33.1713 12.8201 33.1713 20.2916 GPRESSAVG: 3789600 -5.23135 42.2944 12.9706 43.4817 2.39715 32.6523 12.0102 32.5602 19.9693 TIMING: 3789600 CPU: 11974.9, 0.00314068/step Wall: 11974.9, 0.00314068/step, 1.05597 hours remaining, 236.109375 MB of memory in use. ENERGY: 3789600 3918.7608 20452.8516 14428.4992 246.0428 -203674.9760 2777.8140 0.0000 0.0000 52172.5834 -109678.4242 299.8366 -161851.0076 -109306.9080 299.1122 74.8141 105.0682 761589.2227 5.6974 5.7117 PRESSURE: 3789800 -105.796 -24.1295 99.0312 -24.1301 -74.9401 29.5462 99.0325 29.5467 -75.6507 GPRESSURE: 3789800 -75.0286 -62.4773 115.899 -66.4646 -11.3816 -38.628 89.1062 64.7778 -91.6216 PRESSAVG: 3789800 -26.473 -23.6345 -33.0252 -23.6345 -16.6904 17.1677 -33.0252 17.1677 3.64143 GPRESSAVG: 3789800 -27.6381 -25.3394 -32.9885 -22.8918 -16.7784 17.6273 -31.9956 16.2765 4.74161 TIMING: 3789800 CPU: 11975.5, 0.00316496/step Wall: 11975.5, 0.00316496/step, 1.06395 hours remaining, 236.109375 MB of memory in use. ENERGY: 3789800 4046.1020 20547.7272 14530.8042 221.9715 -203617.3632 2741.1826 0.0000 0.0000 52069.4844 -109460.0913 299.2440 -161529.5758 -109103.6886 298.9684 -85.4621 -59.3439 762655.3681 -13.1740 -13.2250 PRESSURE: 3790000 -149.789 -229.812 -155.315 -229.811 -23.1567 -238.587 -155.316 -238.586 271.721 GPRESSURE: 3790000 -152.501 -260.766 -87.9636 -171.42 56.0678 -298.007 -92.9394 -246.307 267.45 PRESSAVG: 3790000 31.1583 38.5241 -27.8341 38.5242 9.5678 -17.4896 -27.8341 -17.4897 7.248 GPRESSAVG: 3790000 31.5161 39.2419 -26.2049 38.4973 10.5567 -16.7774 -30.228 -16.8415 5.47346 TIMING: 3790000 CPU: 11976.2, 0.00314349/step Wall: 11976.2, 0.00314349/step, 1.05656 hours remaining, 236.109375 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: 3790000 3993.0518 20444.0152 14470.1607 246.5168 -203516.1361 2634.6130 0.0000 0.0000 52244.7834 -109482.9952 300.2515 -161727.7786 -109113.3263 299.1383 32.9252 57.0057 760823.0674 15.9914 15.8488 PRESSURE: 3790200 259.458 130.296 59.6065 130.296 -308.82 -135.391 59.6065 -135.39 -34.1375 GPRESSURE: 3790200 204.735 23.4424 113.193 119.265 -248.378 -96.1406 -7.13341 -95.2083 24.6195 PRESSAVG: 3790200 51.9776 20.1439 -60.444 20.1439 -66.6021 -7.59509 -60.4441 -7.595 -1.82849 GPRESSAVG: 3790200 51.5007 20.6416 -63.0645 20.3374 -67.321 -6.89246 -59.2927 -7.89417 -1.02485 TIMING: 3790200 CPU: 11976.8, 0.00312983/step Wall: 11976.8, 0.00312983/step, 1.0518 hours remaining, 236.109375 MB of memory in use. ENERGY: 3790200 4056.8251 20467.6295 14551.7961 285.6147 -203392.5506 2643.1835 0.0000 0.0000 51965.1308 -109422.3709 298.6443 -161387.5017 -109071.7453 299.2404 -27.8330 -6.3411 760735.9986 -5.4843 -5.6150 PRESSURE: 3790400 112.383 65.3394 -34.945 65.3401 -51.4481 90.8181 -34.9451 90.8186 -111.962 GPRESSURE: 3790400 27.2392 -0.704286 -25.9359 3.14864 31.8907 85.6708 -24.7328 142.584 -11.3953 PRESSAVG: 3790400 -0.781933 -6.57131 -40.3247 -6.57133 -16.279 11.6435 -40.3246 11.6435 17.4036 GPRESSAVG: 3790400 -0.905603 -7.34736 -37.5733 -6.39107 -16.8795 11.3126 -40.8816 12.2128 18.62 TIMING: 3790400 CPU: 11977.4, 0.00313928/step Wall: 11977.4, 0.00313928/step, 1.0548 hours remaining, 236.109375 MB of memory in use. ENERGY: 3790400 4009.3260 20501.9638 14495.2490 259.1162 -203362.5767 2574.0219 0.0000 0.0000 52072.0719 -109450.8278 299.2589 -161522.8998 -109093.4697 299.2762 -17.0091 15.9115 761120.7465 0.1142 0.2783 PRESSURE: 3790600 -185.926 -44.4064 -47.3347 -44.4074 128.297 -21.5256 -47.3342 -21.5252 -75.4109 GPRESSURE: 3790600 -52.7201 -3.56556 -125.743 -23.6645 -4.67733 -63.5365 -60.4079 -33.3276 -17.3649 PRESSAVG: 3790600 23.2827 -26.2633 -11.2105 -26.2634 -0.522132 32.6628 -11.2105 32.6627 20.4186 GPRESSAVG: 3790600 24.2491 -25.5042 -13.9426 -26.3613 -0.175042 31.4873 -9.82721 31.7592 18.7857 TIMING: 3790600 CPU: 11978.1, 0.00315931/step Wall: 11978.1, 0.00315931/step, 1.06135 hours remaining, 236.109375 MB of memory in use. ENERGY: 3790600 4023.5449 20509.0245 14494.8650 238.9196 -203227.3143 2463.0589 0.0000 0.0000 52183.3851 -109314.5164 299.8986 -161497.9015 -108939.1620 299.3342 -44.3467 -24.9208 762108.5617 14.3931 14.2866 PRESSURE: 3790800 79.6266 -70.0718 -123.684 -70.0722 -100.861 -50.8895 -123.685 -50.8896 -144.342 GPRESSURE: 3790800 -8.03535 26.7241 -160.941 15.0474 47.7217 -45.2415 -199.855 -66.0848 -116.439 PRESSAVG: 3790800 -15.4596 -1.00224 -48.505 -1.00218 -47.8821 44.6476 -48.505 44.6477 20.6968 GPRESSAVG: 3790800 -17.1496 -1.77459 -47.9453 -0.588171 -46.5411 44.5378 -51.1121 45.0733 21.31 TIMING: 3790800 CPU: 11978.7, 0.00314998/step Wall: 11978.7, 0.00314998/step, 1.05804 hours remaining, 236.109375 MB of memory in use. ENERGY: 3790800 3963.5683 20635.2434 14458.2892 227.7213 -203319.5256 2788.0320 0.0000 0.0000 51769.5834 -109477.0880 297.5205 -161246.6714 -109120.2366 299.6355 -55.1920 -25.5841 762270.3637 -14.2150 -14.1269 PRESSURE: 3791000 115.299 -216.314 167.921 -216.315 -129.218 186.104 167.921 186.104 -13.4472 GPRESSURE: 3791000 122.54 -186.807 69.5346 -178.335 -35.0951 197.109 191.584 140.641 -21.4203 PRESSAVG: 3791000 28.3248 -49.7502 8.91812 -49.7503 -5.82383 46.6522 8.91809 46.6523 0.276865 GPRESSAVG: 3791000 28.5342 -50.6241 8.45682 -48.1178 -6.26011 49.1737 9.55074 48.4148 0.0366654 TIMING: 3791000 CPU: 11979.3, 0.00317436/step Wall: 11979.3, 0.00317436/step, 1.06606 hours remaining, 236.109375 MB of memory in use. ENERGY: 3791000 3968.4271 20585.8866 14432.9389 256.0620 -203239.9084 2620.1326 0.0000 0.0000 51998.6539 -109377.8073 298.8370 -161376.4613 -109018.1109 299.1531 -9.1221 22.0081 762649.8418 7.5926 7.4369 PRESSURE: 3791200 143.304 65.1643 203.446 65.1644 243.312 -35.8298 203.446 -35.8299 -12.9155 GPRESSURE: 3791200 150.727 88.049 190.899 88.54 238.067 7.5532 312.935 -85.5194 76.1265 PRESSAVG: 3791200 11.479 6.87433 29.1241 6.8744 37.0637 34.1419 29.1241 34.142 16.4186 GPRESSAVG: 3791200 11.8327 7.79901 29.9867 4.40436 36.6552 33.7492 30.2731 33.9061 16.7274 TIMING: 3791200 CPU: 11980, 0.00314897/step Wall: 11980, 0.00314897/step, 1.05735 hours remaining, 236.109375 MB of memory in use. ENERGY: 3791200 3998.8285 20580.7740 14438.0798 226.2871 -203434.8062 2706.2583 0.0000 0.0000 52111.7954 -109372.7830 299.4872 -161484.5784 -109009.7091 299.2301 124.5669 154.9735 760470.8991 21.6538 21.7384 PRESSURE: 3791400 6.03333 -164.357 115.25 -164.356 -91.0583 194.823 115.25 194.823 31.567 GPRESSURE: 3791400 87.357 -95.3992 140.584 -149.315 -66.0716 214.891 103.709 198.988 25.1136 PRESSAVG: 3791400 41.2549 -30.6388 -18.288 -30.6388 -56.0313 33.8973 -18.288 33.8974 3.3358 GPRESSAVG: 3791400 42.2979 -32.7016 -18.3984 -29.3828 -56.8392 34.0208 -19.0713 33.4309 3.566 TIMING: 3791400 CPU: 11980.6, 0.00313902/step Wall: 11980.6, 0.00313902/step, 1.05384 hours remaining, 236.109375 MB of memory in use. ENERGY: 3791400 3983.2059 20591.9866 14385.5334 230.0287 -203173.0873 2506.9587 0.0000 0.0000 52250.4852 -109224.8888 300.2843 -161475.3740 -108848.2169 299.5744 -17.8193 15.4663 760776.5855 -3.8135 -3.6584 PRESSURE: 3791600 540.263 -127.804 -0.365297 -127.805 -37.1737 -24.0055 -0.364562 -24.006 82.3974 GPRESSURE: 3791600 434.919 -27.3139 2.73367 -135.405 66.9148 -15.9739 62.6325 -28.3467 153.161 PRESSAVG: 3791600 41.1832 -34.9129 3.18398 -34.9129 -0.912144 48.0503 3.18406 48.0503 -8.80324 GPRESSAVG: 3791600 39.4209 -33.4458 4.02915 -37.1017 0.242132 46.1931 3.8419 48.6487 -8.54937 TIMING: 3791600 CPU: 11981.2, 0.00314752/step Wall: 11981.2, 0.00314752/step, 1.05652 hours remaining, 236.109375 MB of memory in use. ENERGY: 3791600 3942.7018 20588.6556 14411.1755 237.9762 -203307.9849 2884.5619 0.0000 0.0000 51926.4287 -109316.4853 298.4219 -161242.9140 -108972.5845 299.2097 195.1623 218.3318 761658.6823 10.4893 10.3712 PRESSURE: 3791800 149.843 -42.3813 -11.8576 -42.3809 -56.9042 241.47 -11.8581 241.472 -14.9899 GPRESSURE: 3791800 215.146 67.2538 -0.714885 -2.73918 -67.1008 128.048 -90.881 226.143 -2.35936 PRESSAVG: 3791800 74.8787 -34.6622 -33.1107 -34.6622 -113.454 -26.7614 -33.1107 -26.7614 -11.1532 GPRESSAVG: 3791800 76.4661 -33.2579 -33.1556 -33.5834 -113.56 -25.9386 -33.6989 -27.8619 -13.2492 TIMING: 3791800 CPU: 11981.8, 0.00314016/step Wall: 11981.8, 0.00314016/step, 1.05387 hours remaining, 236.109375 MB of memory in use. ENERGY: 3791800 4065.6289 20575.8919 14421.6989 251.9444 -203030.5397 2572.4184 0.0000 0.0000 52088.5649 -109054.3923 299.3537 -161142.9573 -108697.0048 299.2136 25.9831 48.5618 761672.6546 -16.5761 -16.7812 PRESSURE: 3792000 -472.241 158.636 12.444 158.635 -226.414 104.521 12.4442 104.52 65.3713 GPRESSURE: 3792000 -441.363 204.82 -6.35257 42.7238 -140.706 62.094 80.1621 90.8022 28.072 PRESSAVG: 3792000 23.675 -31.0855 17.8056 -31.0855 -48.3396 36.7304 17.8057 36.7304 7.6583 GPRESSAVG: 3792000 22.1648 -32.0306 17.9364 -30.5007 -48.1366 38.068 16.2216 35.6931 9.23713 TIMING: 3792000 CPU: 11982.5, 0.00316301/step Wall: 11982.5, 0.00316301/step, 1.06136 hours remaining, 236.109375 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: 3792000 3957.3661 20697.4357 14397.8270 226.5993 -202917.1234 2381.3771 0.0000 0.0000 52174.2574 -109082.2609 299.8462 -161256.5182 -108714.9011 299.9796 -211.0947 -184.6659 762708.6387 -5.6687 -5.5782 PRESSURE: 3792200 -40.1106 61.3082 11.2884 61.308 -132.871 56.9974 11.2877 56.9977 196.554 GPRESSURE: 3792200 7.99043 -9.6427 -13.7007 54.221 -85.5059 30.7862 30.5927 140.967 194.744 PRESSAVG: 3792200 55.4892 16.126 31.18 16.1261 -32.0372 0.868865 31.18 0.868883 -7.22334 GPRESSAVG: 3792200 53.9919 14.6303 31.2769 15.9679 -31.1992 -0.202724 32.7979 1.16495 -6.75574 TIMING: 3792200 CPU: 11983.1, 0.00316186/step Wall: 11983.1, 0.00316185/step, 1.0608 hours remaining, 236.109375 MB of memory in use. ENERGY: 3792200 3901.4535 20505.2349 14525.3650 243.8741 -203374.6224 2783.3678 0.0000 0.0000 52091.5330 -109323.7940 299.3708 -161415.3271 -108962.5697 299.7580 7.8575 39.0760 762537.4091 5.4096 5.3457 LDB: ============= START OF LOAD BALANCING ============== 11995.6 LDB: ============== END OF LOAD BALANCING =============== 11995.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11995.6 LDB: ============= START OF LOAD BALANCING ============== 11996 LDB: Largest compute 7076 load 0.032139 is 16.4% of average load 0.195565 LDB: Average compute 0.004395 is 2.2% of average load 0.195565 LDB: TIME 11996 LOAD: AVG 0.195565 MAX 0.214762 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.262 MB LDB: TIME 11996 LOAD: AVG 0.195565 MAX 0.214762 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.465 MB LDB: TIME 11996 LOAD: AVG 0.195565 MAX 0.214762 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.465 MB LDB: ============== END OF LOAD BALANCING =============== 11996 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11996 PRESSURE: 3792400 275.439 -66.906 -98.1412 -66.906 -53.1913 58.9616 -98.1417 58.9621 -134.4 GPRESSURE: 3792400 203.228 -4.91901 -126.547 -54.8244 48.9352 69.6331 -56.9621 138.278 -74.779 PRESSAVG: 3792400 62.0234 -4.45036 -0.906028 -4.45029 -28.7156 11.2275 -0.906062 11.2274 -4.96223 GPRESSAVG: 3792400 64.0391 -5.56165 -0.280519 -2.6843 -30.3442 10.9586 -2.83941 12.509 -5.82654 TIMING: 3792400 CPU: 11983.8, 0.0032329/step Wall: 11983.8, 0.0032329/step, 1.08446 hours remaining, 236.660156 MB of memory in use. ENERGY: 3792400 3933.0665 20585.8972 14392.9370 252.2431 -203431.7702 2702.7660 0.0000 0.0000 51839.1926 -109725.6678 297.9206 -161564.8604 -109370.2936 298.8856 29.2824 59.1281 760151.0089 9.4485 9.2894 PRESSURE: 3792600 42.8656 -233.576 35.6364 -233.577 -26.71 -59.3113 35.6361 -59.3115 261.736 GPRESSURE: 3792600 97.415 -202.361 68.9902 10.0215 -28.8912 -50.8625 115.959 -43.1463 299.822 PRESSAVG: 3792600 59.767 29.7825 -1.05667 29.7825 -6.34307 48.1229 -1.05668 48.1227 25.6784 GPRESSAVG: 3792600 57.9478 33.6412 -1.49015 28.2482 -5.16197 47.9352 -0.021402 48.1294 26.0249 TIMING: 3792600 CPU: 11984.4, 0.0031647/step Wall: 11984.4, 0.00316471/step, 1.06141 hours remaining, 236.863281 MB of memory in use. ENERGY: 3792600 3968.6845 20392.5515 14445.1187 277.7440 -203060.3305 2461.7085 0.0000 0.0000 51920.4859 -109594.0374 298.3877 -161514.5234 -109235.9495 298.3554 92.6306 122.7821 762019.2030 26.3674 26.2702 PRESSURE: 3792800 343.338 -99.3364 90.3777 -99.3366 -37.1675 41.0841 90.3771 41.0833 -304.189 GPRESSURE: 3792800 290.915 -71.83 173.402 -136.2 125.046 -2.11561 47.6673 22.926 -326.576 PRESSAVG: 3792800 -18.1476 -35.785 4.35686 -35.785 22.4178 22.3963 4.35685 22.3962 6.938 GPRESSAVG: 3792800 -16.3207 -35.6355 5.85251 -35.9688 20.0221 23.2673 3.23138 21.1512 7.42943 TIMING: 3792800 CPU: 11985, 0.00318027/step Wall: 11985, 0.00318027/step, 1.06645 hours remaining, 237.121094 MB of memory in use. ENERGY: 3792800 3981.1348 20574.0839 14448.3020 257.5905 -203689.5473 2879.2217 0.0000 0.0000 51952.8153 -109596.3990 298.5735 -161549.2144 -109230.4448 299.2960 0.6604 29.7952 762498.6888 3.7361 3.7102 PRESSURE: 3793000 79.014 30.2493 288.836 30.2497 -122.352 30.4029 288.836 30.4037 -515.946 GPRESSURE: 3793000 95.7492 -9.62467 200.955 5.15248 -68.0503 -70.5963 283.162 -93.7287 -509.094 PRESSAVG: 3793000 32.0457 -55.4183 -14.1562 -55.4183 -50.0688 -10.7519 -14.1562 -10.752 -6.67201 GPRESSAVG: 3793000 30.8632 -55.7357 -17.2945 -56.5432 -48.6255 -11.7466 -11.6199 -9.65487 -7.56753 TIMING: 3793000 CPU: 11985.7, 0.00317918/step Wall: 11985.7, 0.00317918/step, 1.06591 hours remaining, 237.121094 MB of memory in use. ENERGY: 3793000 3978.8596 20667.0389 14402.7094 257.2687 -203411.6914 2688.3568 0.0000 0.0000 51878.2476 -109539.2104 298.1450 -161417.4579 -109178.9325 299.4801 -186.4279 -160.4650 762413.4685 -8.2317 -8.4433 PRESSURE: 3793200 254.991 -188.575 30.5826 -188.575 222.912 -92.3246 30.582 -92.3248 659.794 GPRESSURE: 3793200 242.639 -99.4313 -53.3044 -136.197 279.114 -101.506 121.555 -37.6933 704.04 PRESSAVG: 3793200 65.0622 -4.91468 -36.6192 -4.91471 -73.4106 2.82406 -36.6192 2.82411 32.6597 GPRESSAVG: 3793200 65.6702 -4.14154 -34.8109 -4.78588 -73.7897 3.43091 -37.1875 2.38756 32.4358 TIMING: 3793200 CPU: 11986.3, 0.00318315/step Wall: 11986.3, 0.00318315/step, 1.06706 hours remaining, 237.121094 MB of memory in use. ENERGY: 3793200 3935.9924 20568.3532 14421.6456 261.9424 -203401.7518 2813.4664 0.0000 0.0000 51964.9428 -109435.4089 298.6432 -161400.3517 -109072.6232 298.8009 379.2324 408.5978 760673.7496 8.1038 8.1054 PRESSURE: 3793400 -116.498 40.3743 -31.1506 40.3742 -307.401 -383.615 -31.1501 -383.616 -88.4492 GPRESSURE: 3793400 -94.8455 -65.0721 64.8339 39.7037 -256.567 -391.68 0.800628 -88.5637 -64.1153 PRESSAVG: 3793400 61.1955 14.5161 -12.7368 14.5161 -70.3347 -29.6067 -12.7368 -29.6068 19.022 GPRESSAVG: 3793400 59.8501 13.2286 -12.7224 13.8602 -68.3626 -28.9682 -13.2089 -28.1282 18.6204 TIMING: 3793400 CPU: 11986.9, 0.00318304/step Wall: 11986.9, 0.00318304/step, 1.06685 hours remaining, 237.121094 MB of memory in use. ENERGY: 3793400 3911.7592 20591.1107 14450.9026 247.5201 -202764.6330 2257.0835 0.0000 0.0000 51970.7681 -109335.4889 298.6767 -161306.2570 -108976.4255 299.4059 -170.7829 -138.5093 762925.5434 3.2943 3.3693 PRESSURE: 3793600 114.476 100.61 214.257 100.609 -79.017 -295.393 214.257 -295.392 -99.9907 GPRESSURE: 3793600 155.101 116.917 214.427 152.026 -150.718 -346.739 84.484 -146.48 8.29078 PRESSAVG: 3793600 57.7805 -37.845 -23.6757 -37.845 -73.5177 -9.12774 -23.6757 -9.12783 -24.5151 GPRESSAVG: 3793600 58.8837 -36.0779 -22.9749 -36.8396 -75.2877 -9.66709 -24.9778 -9.65518 -23.7796 TIMING: 3793600 CPU: 11987.6, 0.00316853/step Wall: 11987.6, 0.00316853/step, 1.06181 hours remaining, 237.121094 MB of memory in use. ENERGY: 3793600 4000.0551 20536.8147 14498.5710 244.7119 -202904.3855 2433.4416 0.0000 0.0000 52031.4292 -109159.3620 299.0253 -161190.7912 -108804.4563 299.4158 -21.5105 4.2245 762234.8650 -13.4174 -13.3945 PRESSURE: 3793800 79.5631 -202.676 74.5188 -202.676 64.963 308.054 74.5191 308.054 -136.405 GPRESSURE: 3793800 212.601 -177.062 39.5594 -204.553 -34.4426 382.747 -44.1837 102.862 -89.3864 PRESSAVG: 3793800 83.0547 23.0218 44.9813 23.0217 -87.9153 -33.6884 44.9813 -33.6884 4.03934 GPRESSAVG: 3793800 83.363 21.6922 42.7458 23.8273 -86.5206 -34.3648 46.3853 -34.6934 2.83143 TIMING: 3793800 CPU: 11988.2, 0.00320067/step Wall: 11988.2, 0.00320067/step, 1.0724 hours remaining, 237.121094 MB of memory in use. ENERGY: 3793800 3906.7609 20535.2749 14477.4874 230.4061 -202914.6739 2464.2438 0.0000 0.0000 52289.6712 -109010.8295 300.5095 -161300.5007 -108649.8956 300.2687 2.7070 29.5908 762812.0711 -0.2738 -0.1087 PRESSURE: 3794000 -71.196 92.1629 203.558 92.1629 -168.702 132.54 203.557 132.539 93.4478 GPRESSURE: 3794000 20.1796 39.0585 172.916 100.439 -157.824 138.995 226.052 180.463 74.8261 PRESSAVG: 3794000 94.4781 -63.6222 38.1119 -63.6222 -98.3863 -20.2688 38.112 -20.2687 -17.4957 GPRESSAVG: 3794000 93.4817 -65.1821 38.5587 -66.3063 -97.7336 -19.0327 37.901 -22.2335 -16.2696 TIMING: 3794000 CPU: 11988.8, 0.00317655/step Wall: 11988.8, 0.00317655/step, 1.06414 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: 3794000 3993.8288 20552.4477 14459.2050 251.4646 -203170.9167 2604.5053 0.0000 0.0000 52315.6434 -108993.8218 300.6587 -161309.4653 -108632.2405 300.1724 -48.8168 -20.9395 762081.8767 -7.1347 -6.8405 PRESSURE: 3794200 15.4265 -88.1505 -193.105 -88.1503 127.451 -36.0538 -193.105 -36.0537 -242.171 GPRESSURE: 3794200 -1.34575 -136.707 -177.868 -85.7218 174.758 -56.4604 -259.925 148.944 -196.518 PRESSAVG: 3794200 6.58667 -25.1724 14.1446 -25.1725 -19.3836 -9.67532 14.1446 -9.67526 5.54321 GPRESSAVG: 3794200 6.57286 -22.9187 14.8874 -24.745 -20.1027 -9.43347 13.789 -6.07136 5.59687 TIMING: 3794200 CPU: 11989.5, 0.00315469/step Wall: 11989.5, 0.00315469/step, 1.05665 hours remaining, 237.121094 MB of memory in use. ENERGY: 3794200 3959.6590 20563.7099 14464.1290 256.5386 -203089.9059 2547.4915 0.0000 0.0000 52322.2861 -108976.0917 300.6969 -161298.3778 -108614.1464 300.2839 -33.0977 -7.7019 762755.2703 -2.4179 -2.6443 PRESSURE: 3794400 300.215 -19.2176 -58.0954 -19.2173 427.684 -26.0917 -58.0961 -26.0913 612.662 GPRESSURE: 3794400 344.435 -55.2149 -7.90151 -72.304 434.82 21.857 103.293 -17.5462 628.968 PRESSAVG: 3794400 2.55601 -46.9386 -17.5915 -46.9385 -35.3991 12.3466 -17.5915 12.3467 -13.9983 GPRESSAVG: 3794400 2.64725 -48.4628 -16.0674 -43.8771 -35.1278 12.0077 -17.2777 12.3322 -14.2394 TIMING: 3794400 CPU: 11990.1, 0.00318579/step Wall: 11990.1, 0.00318579/step, 1.06689 hours remaining, 237.121094 MB of memory in use. ENERGY: 3794400 3941.9664 20488.4238 14467.4762 249.4165 -202944.1237 2586.4889 0.0000 0.0000 52397.4198 -108812.9321 301.1287 -161210.3519 -108440.6764 300.5385 446.8537 469.4080 762330.5985 -15.6138 -15.5733 PRESSURE: 3794600 122.526 274.128 -12.9959 274.127 -336.174 244.271 -12.9965 244.271 -290.661 GPRESSURE: 3794600 145.83 237.885 -52.6051 309.522 -257.308 316.36 -21.9708 273.303 -312.384 PRESSAVG: 3794600 26.73 -36.9185 50.3506 -36.9185 -30.2057 -26.3987 50.3506 -26.3987 -5.38012 GPRESSAVG: 3794600 27.8601 -36.8829 49.2534 -38.4079 -30.3175 -26.8712 50.9416 -27.3418 -6.12611 TIMING: 3794600 CPU: 11990.7, 0.0031593/step Wall: 11990.7, 0.0031593/step, 1.05784 hours remaining, 237.121094 MB of memory in use. ENERGY: 3794600 3967.3262 20462.7574 14497.5727 230.6007 -202701.6355 2418.5496 0.0000 0.0000 52385.1252 -108739.7038 301.0580 -161124.8290 -108380.4340 300.3055 -168.1030 -141.2873 763831.9709 -2.9519 -2.8612 PRESSURE: 3794800 -66.2653 -135.531 121.287 -135.531 -149.673 330.782 121.288 330.783 -1.11765 GPRESSURE: 3794800 12.4289 -168.911 59.4572 16.7643 -169.95 342.635 73.3162 405.792 18.8546 PRESSAVG: 3794800 43.7903 1.20131 42.3279 1.20135 -20.8557 -17.3287 42.3279 -17.3287 8.87452 GPRESSAVG: 3794800 42.1854 2.29889 41.7673 0.273772 -20.6535 -18.0916 42.1363 -16.2031 10.1665 TIMING: 3794800 CPU: 11991.4, 0.00315496/step Wall: 11991.4, 0.00315496/step, 1.05621 hours remaining, 237.121094 MB of memory in use. ENERGY: 3794800 3981.5319 20497.4298 14469.7779 233.8602 -202736.6858 2345.0149 0.0000 0.0000 52320.1815 -108888.8895 300.6848 -161209.0710 -108520.0582 300.1140 -72.3520 -46.2222 763008.1762 10.6030 10.5661 PRESSURE: 3795000 97.6372 -49.691 151.29 -49.6906 31.964 68.3712 151.29 68.3709 -182.159 GPRESSURE: 3795000 146.808 -37.378 189.932 -183.666 93.0195 161.65 58.5236 -88.7726 -198.142 PRESSAVG: 3795000 87.888 -26.1024 6.49167 -26.1024 -32.5393 61.6324 6.49171 61.6324 -12.2096 GPRESSAVG: 3795000 88.0094 -27.0784 7.30007 -25.8647 -32.0994 61.8228 6.71602 59.8576 -12.7215 TIMING: 3795000 CPU: 11992, 0.00316001/step Wall: 11992, 0.00316001/step, 1.05772 hours remaining, 237.207031 MB of memory in use. ENERGY: 3795000 3980.5103 20537.1736 14510.0754 238.4157 -203246.7642 2724.8829 0.0000 0.0000 52503.2802 -108752.4260 301.7371 -161255.7062 -108391.0552 300.1664 -17.5193 13.8954 762118.6715 14.3797 14.3962 PRESSURE: 3795200 -156.192 105.598 30.7818 105.597 -71.5156 -7.94355 30.7811 -7.94463 22.1235 GPRESSURE: 3795200 -123.287 73.51 14.3152 2.97427 -87.617 -45.0085 46.1279 99.1539 78.2373 PRESSAVG: 3795200 22.5341 -55.9384 30.8081 -55.9384 -26.0346 8.77538 30.808 8.77535 0.189206 GPRESSAVG: 3795200 23.2444 -55.3728 32.3701 -55.8108 -26.6437 10.183 27.5497 9.14375 0.0254853 TIMING: 3795200 CPU: 11992.6, 0.0031619/step Wall: 11992.6, 0.0031619/step, 1.05818 hours remaining, 237.207031 MB of memory in use. ENERGY: 3795200 3959.2276 20779.9107 14423.8008 245.1131 -202466.7031 2180.1565 0.0000 0.0000 51986.5326 -108891.9616 298.7673 -160878.4943 -108536.3261 300.0223 -68.5280 -44.2223 761519.2886 -1.1038 -1.1246 PRESSURE: 3795400 -29.4904 -40.2715 -53.9171 -40.2721 -181.073 -23.4325 -53.9165 -23.432 83.2178 GPRESSURE: 3795400 -35.1219 19.9171 -156.88 -68.3081 -42.9661 60.3018 31.4078 -36.8901 36.8781 PRESSAVG: 3795400 9.96394 -13.4888 -40.2017 -13.4888 -11.3786 -3.36546 -40.2018 -3.36543 1.54818 GPRESSAVG: 3795400 9.37987 -12.4296 -40.4526 -14.11 -10.9416 -3.288 -38.8808 -2.48616 1.66878 TIMING: 3795400 CPU: 11993.3, 0.00316518/step Wall: 11993.3, 0.00316518/step, 1.05911 hours remaining, 237.207031 MB of memory in use. ENERGY: 3795400 3985.9365 20461.5186 14492.4753 246.4298 -203031.4920 2462.0739 0.0000 0.0000 52505.1133 -108877.9445 301.7476 -161383.0578 -108518.8275 299.9546 -42.4485 -13.7367 762361.7193 0.0445 0.0357 PRESSURE: 3795600 -255.816 -135.8 55.9219 -135.8 -236.669 108.754 55.9214 108.753 -68.5548 GPRESSURE: 3795600 -256.564 -288.284 -19.7608 -137.159 -157.108 129.045 91.1319 111.884 -69.3036 PRESSAVG: 3795600 -0.133271 -34.613 48.8796 -34.613 -47.0861 17.6589 48.8796 17.6588 18.0475 GPRESSAVG: 3795600 -0.183165 -36.4535 48.5676 -32.599 -46.8307 17.6818 48.1975 16.2636 17.5048 TIMING: 3795600 CPU: 11993.9, 0.00315185/step Wall: 11993.9, 0.00315185/step, 1.05447 hours remaining, 237.207031 MB of memory in use. ENERGY: 3795600 3947.7517 20616.0773 14546.6098 247.6266 -202906.1271 2441.1912 0.0000 0.0000 52239.0854 -108867.7850 300.2187 -161106.8704 -108503.2789 299.9811 -187.0134 -160.9920 763332.3124 -9.7240 -9.8364 PRESSURE: 3795800 -66.4983 134.256 2.46695 134.256 -436.371 -80.5497 2.46708 -80.5496 -212.539 GPRESSURE: 3795800 -40.1649 204.093 34.8301 251.296 -367.922 -87.3329 -33.2825 -86.5914 -205.753 PRESSAVG: 3795800 36.1838 -16.8396 15.4233 -16.8396 -42.211 15.0704 15.4233 15.0704 5.00598 GPRESSAVG: 3795800 36.1131 -16.2308 14.5046 -18.8011 -42.4498 15.859 17.6597 14.8014 5.39448 TIMING: 3795800 CPU: 11994.5, 0.00315194/step Wall: 11994.5, 0.00315193/step, 1.05432 hours remaining, 237.207031 MB of memory in use. ENERGY: 3795800 4034.4040 20668.1212 14524.2702 230.1828 -203070.8869 2512.6823 0.0000 0.0000 52194.4401 -108906.7864 299.9622 -161101.2265 -108551.6519 300.3042 -238.4695 -204.6131 763458.7565 -0.3404 -0.3141 PRESSURE: 3796000 88.2155 50.0206 20.2718 50.0202 150.229 -222.806 20.2721 -222.805 -122.999 GPRESSURE: 3796000 104.482 81.3142 -2.53169 5.03264 121.757 -222.979 -49.8826 -108.124 -30.4936 PRESSAVG: 3796000 49.1124 -26.1901 11.5714 -26.1901 -56.6495 59.5128 11.5714 59.5128 -9.23101 GPRESSAVG: 3796000 48.7587 -26.938 11.3664 -23.5212 -56.421 57.595 12.328 60.8298 -9.38148 TIMING: 3796000 CPU: 11995.2, 0.00313503/step Wall: 11995.2, 0.00313503/step, 1.04849 hours remaining, 237.207031 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: 3796000 3988.1233 20607.4518 14521.5524 238.9194 -203259.8425 2462.8918 0.0000 0.0000 52313.1488 -109127.7549 300.6444 -161440.9037 -108769.4580 299.9928 38.4818 65.2485 760102.4049 -5.5894 -5.6813 PRESSURE: 3796200 -160.673 -61.0115 -60.039 -61.0113 -395.551 -142.332 -60.0393 -142.331 100.502 GPRESSURE: 3796200 -185.889 -82.3587 0.881733 -108.441 -341.553 -140.371 9.53882 -164.212 152.946 PRESSAVG: 3796200 1.95861 -6.51488 -40.8153 -6.51491 -16.5266 28.5725 -40.8154 28.5725 23.9574 GPRESSAVG: 3796200 2.65375 -6.01713 -40.7662 -7.68718 -17.2183 29.3876 -43.7563 28.4696 24.2073 TIMING: 3796200 CPU: 11995.8, 0.00315614/step Wall: 11995.8, 0.00315614/step, 1.05538 hours remaining, 237.207031 MB of memory in use. ENERGY: 3796200 3966.1242 20424.5715 14533.1682 248.7193 -202575.3273 2308.3409 0.0000 0.0000 51958.7169 -109135.6864 298.6075 -161094.4033 -108776.1124 299.9159 -151.9073 -124.8321 763166.5042 3.1298 3.2143 LDB: ============= START OF LOAD BALANCING ============== 12008.3 LDB: ============== END OF LOAD BALANCING =============== 12008.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12008.3 LDB: ============= START OF LOAD BALANCING ============== 12008.6 LDB: Largest compute 7076 load 0.034237 is 17.5% of average load 0.195614 LDB: Average compute 0.004381 is 2.2% of average load 0.195614 LDB: TIME 12008.6 LOAD: AVG 0.195614 MAX 0.214953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 12008.6 LOAD: AVG 0.195614 MAX 0.214953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: TIME 12008.6 LOAD: AVG 0.195614 MAX 0.214953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.562 MB LDB: ============== END OF LOAD BALANCING =============== 12008.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12008.7 PRESSURE: 3796400 36.6375 -129.661 43.7967 -129.662 65.6462 -18.2004 43.7965 -18.2002 27.7339 GPRESSURE: 3796400 57.6445 12.9726 -2.15107 -242.263 156.883 -38.3396 248.825 -177.83 -11.0494 PRESSAVG: 3796400 16.54 -28.7775 10.5201 -28.7775 -23.2119 20.0472 10.5201 20.0472 -13.8055 GPRESSAVG: 3796400 15.6281 -30.8748 12.5397 -28.9118 -22.8878 20.7033 12.3145 17.8707 -12.9745 TIMING: 3796400 CPU: 11996.4, 0.00323459/step Wall: 11996.4, 0.00323459/step, 1.08143 hours remaining, 236.218750 MB of memory in use. ENERGY: 3796400 3943.8320 20557.8583 14419.0239 237.0319 -203022.6135 2476.5408 0.0000 0.0000 52129.1920 -109259.1346 299.5872 -161388.3266 -108893.6997 299.5813 43.3392 67.8259 762315.6196 -6.8258 -6.7447 PRESSURE: 3796600 254.564 -27.5948 119.179 -27.5955 29.754 -75.5513 119.179 -75.5527 372.354 GPRESSURE: 3796600 241.85 7.04425 25.836 -11.5172 65.8364 -123.029 76.2288 -78.8897 434.526 PRESSAVG: 3796600 34.1043 -19.309 -22.875 -19.309 14.522 12.3087 -22.875 12.3086 10.6306 GPRESSAVG: 3796600 33.6214 -17.986 -24.3879 -19.6063 15.9219 10.1362 -23.6125 13.3701 9.58339 TIMING: 3796600 CPU: 11997.1, 0.00316454/step Wall: 11997.1, 0.00316454/step, 1.05784 hours remaining, 236.421875 MB of memory in use. ENERGY: 3796600 3897.2088 20651.0669 14422.1891 238.1538 -203369.2267 2679.7146 0.0000 0.0000 52176.5150 -109304.3784 299.8591 -161480.8934 -108952.2471 299.6647 218.8907 247.4044 761970.5927 19.7523 19.7089 PRESSURE: 3796800 -64.4161 -106.895 -107.417 -106.895 275.52 -44.4766 -107.417 -44.4773 -93.877 GPRESSURE: 3796800 -47.2151 -137.793 -108.476 6.77509 230.158 -76.295 -184.537 40.7113 22.1945 PRESSAVG: 3796800 1.36317 4.90457 -32.1125 4.90456 28.4464 -17.9705 -32.1124 -17.9704 22.0101 GPRESSAVG: 3796800 1.65992 6.66278 -31.5369 3.48486 28.0786 -15.3918 -32.6916 -16.9722 22.4725 TIMING: 3796800 CPU: 11997.7, 0.00316889/step Wall: 11997.7, 0.00316889/step, 1.05911 hours remaining, 236.421875 MB of memory in use. ENERGY: 3796800 4031.6165 20749.7614 14543.7193 237.8268 -203459.0402 2709.2838 0.0000 0.0000 52103.3766 -109083.4558 299.4388 -161186.8324 -108723.7476 300.3543 39.0758 68.3791 759867.6210 17.2732 17.4037 PRESSURE: 3797000 54.8265 -59.3896 -102.545 -59.389 -219.901 -114.767 -102.545 -114.767 233.055 GPRESSURE: 3797000 93.1277 -2.09317 -30.4378 -72.7465 -130.619 -124.679 11.003 -126.717 192.126 PRESSAVG: 3797000 11.6498 -1.55926 2.14629 -1.55924 -41.0432 -60.5614 2.14632 -60.5614 -6.25559 GPRESSAVG: 3797000 10.8631 -1.53051 2.1202 -1.25603 -40.5931 -61.811 4.14639 -60.2053 -6.4789 TIMING: 3797000 CPU: 11998.3, 0.00314671/step Wall: 11998.3, 0.00314671/step, 1.05153 hours remaining, 236.421875 MB of memory in use. ENERGY: 3797000 4037.4059 20750.5849 14530.3295 250.6964 -203329.5568 2824.2179 0.0000 0.0000 51944.9104 -108991.4119 298.5281 -160936.3223 -108641.9512 300.2694 22.6604 51.5448 761498.8167 -11.8830 -12.0696 PRESSURE: 3797200 1.28904 142.709 -125.321 142.708 -215.558 203.247 -125.32 203.247 -74.5111 GPRESSURE: 3797200 -90.5935 91.208 -139.132 105.254 -85.8649 173.317 -88.8124 151.837 -45.8703 PRESSAVG: 3797200 32.5297 -38.2775 -53.8565 -38.2775 -46.6009 -11.7612 -53.8565 -11.7613 2.63568 GPRESSAVG: 3797200 32.6638 -40.4614 -52.8852 -37.5155 -45.6643 -11.618 -55.6431 -10.152 1.43197 TIMING: 3797200 CPU: 11999, 0.00317112/step Wall: 11999, 0.00317112/step, 1.05951 hours remaining, 236.421875 MB of memory in use. ENERGY: 3797200 3997.0087 20708.6448 14496.5639 248.6793 -203112.9882 2414.8895 0.0000 0.0000 52256.7916 -108990.4104 300.3205 -161247.2020 -108618.7717 300.5424 -96.2602 -74.1096 762093.0787 -3.8119 -3.8562 PRESSURE: 3797400 71.785 -131.693 74.7138 -131.693 104.964 178.08 74.7137 178.079 -61.4154 GPRESSURE: 3797400 45.5029 -35.8245 56.6004 7.72893 180.432 208.389 -82.1119 95.0472 -27.5334 PRESSAVG: 3797400 3.88848 -39.1392 -29.3325 -39.1392 0.433653 -22.8256 -29.3326 -22.8256 11.8602 GPRESSAVG: 3797400 4.27282 -37.7182 -31.0403 -37.83 -1.16772 -23.7476 -30.774 -26.3188 13.1518 TIMING: 3797400 CPU: 11999.6, 0.00318188/step Wall: 11999.6, 0.00318188/step, 1.06293 hours remaining, 236.421875 MB of memory in use. ENERGY: 3797400 4039.6311 20573.1405 14493.6563 247.3725 -203216.4535 2497.6709 0.0000 0.0000 52397.6416 -108967.3406 301.1300 -161364.9822 -108597.9693 300.3774 38.4446 66.1338 761507.0577 5.3941 5.4190 PRESSURE: 3797600 -35.8723 228.58 -261.661 228.579 -215.547 -120.41 -261.661 -120.41 -192.364 GPRESSURE: 3797600 -63.7345 102.559 -223.562 250.441 -89.39 -181.515 -210.824 -209.82 -188.581 PRESSAVG: 3797600 53.6785 -44.3412 -40.4647 -44.3412 -28.5899 -23.2662 -40.4648 -23.2661 -5.49037 GPRESSAVG: 3797600 54.3633 -43.5595 -39.762 -44.776 -28.2379 -22.5799 -39.0195 -21.1312 -6.34199 TIMING: 3797600 CPU: 12000.2, 0.00316776/step Wall: 12000.2, 0.00316776/step, 1.05803 hours remaining, 236.421875 MB of memory in use. ENERGY: 3797600 4017.5539 20716.7074 14479.4578 258.9097 -203118.2383 2395.0863 0.0000 0.0000 52191.4620 -109059.0612 299.9450 -161250.5232 -108686.1117 300.3377 -147.9278 -113.9018 762202.8442 6.5328 6.5945 PRESSURE: 3797800 -213.83 19.4824 148.316 19.4828 262.065 41.0794 148.316 41.0798 123.256 GPRESSURE: 3797800 -187.339 85.4464 136.182 5.45796 306.454 -72.7204 4.30657 28.8302 132.914 PRESSAVG: 3797800 27.1783 -14.4073 -31.4656 -14.4072 -6.44515 -5.14514 -31.4657 -5.14515 3.44207 GPRESSAVG: 3797800 26.5546 -15.3136 -32.1865 -16.4359 -6.28854 -7.10234 -31.6494 -5.75333 4.18642 TIMING: 3797800 CPU: 12000.9, 0.00314336/step Wall: 12000.9, 0.00314336/step, 1.04971 hours remaining, 236.421875 MB of memory in use. ENERGY: 3797800 4082.3052 20560.6091 14527.3717 255.7167 -203162.5205 2495.5871 0.0000 0.0000 52211.6493 -109029.2814 300.0611 -161240.9307 -108661.7883 300.2510 57.1633 84.0097 762108.6330 8.0584 8.1508 PRESSURE: 3798000 155.771 210.667 12.5203 210.667 349.225 -1.94616 12.5206 -1.94579 303.139 GPRESSURE: 3798000 225.19 168.539 -64.8589 253.455 311.808 59.6492 84.9731 -24.3257 354.486 PRESSAVG: 3798000 -24.2568 -4.59374 -14.6318 -4.59373 20.8233 -5.97985 -14.6318 -5.97987 -22.6391 GPRESSAVG: 3798000 -22.6185 -7.51276 -14.2945 -3.63366 19.8968 -2.19904 -14.7244 -7.79989 -22.9136 TIMING: 3798000 CPU: 12001.5, 0.00314079/step Wall: 12001.5, 0.00314079/step, 1.04868 hours remaining, 236.421875 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: 3798000 3990.0698 20553.5978 14438.2546 262.5846 -203184.1583 2652.7430 0.0000 0.0000 52173.9885 -109112.9202 299.8446 -161286.9086 -108748.1769 299.4305 269.3782 297.1613 761275.4559 -8.6909 -8.5451 PRESSURE: 3798200 130.06 88.8747 -64.5019 88.8752 -0.86309 196.092 -64.5029 196.091 -98.0939 GPRESSURE: 3798200 115.698 135.846 -35.4578 121.241 103.042 273.215 -87.8408 122.252 -104.333 PRESSAVG: 3798200 -8.24314 16.7184 -16.9522 16.7184 9.77746 64.7836 -16.9523 64.7836 -17.0033 GPRESSAVG: 3798200 -8.69991 20.1568 -17.5046 16.2471 11.1365 62.1833 -17.2668 65.7423 -17.9267 TIMING: 3798200 CPU: 12002.1, 0.00315777/step Wall: 12002.1, 0.00315777/step, 1.05417 hours remaining, 236.421875 MB of memory in use. ENERGY: 3798200 3980.6557 20397.3636 14526.1081 257.2394 -203433.7302 2608.3137 0.0000 0.0000 52391.8288 -109272.2210 301.0966 -161664.0498 -108903.0007 300.4360 10.3677 38.1356 760368.4432 -5.1563 -5.1633 PRESSURE: 3798400 -47.3306 -21.5276 -116.42 -21.5268 118.778 -64.0668 -116.42 -64.0651 139.008 GPRESSURE: 3798400 -12.6715 -131.282 -71.7903 7.9468 208.522 41.306 -88.924 -116.238 115.463 PRESSAVG: 3798400 23.7522 -14.3672 0.825376 -14.3672 32.672 7.94062 0.825489 7.94068 12.3146 GPRESSAVG: 3798400 22.9961 -17.125 1.32383 -11.0786 31.8731 9.87141 -0.168739 8.85783 13.4902 TIMING: 3798400 CPU: 12002.8, 0.00316758/step Wall: 12002.8, 0.00316758/step, 1.05727 hours remaining, 236.421875 MB of memory in use. ENERGY: 3798400 3984.4923 20439.3097 14447.5504 253.1760 -202713.3821 2242.3909 0.0000 0.0000 51992.7518 -109353.7109 298.8031 -161346.4627 -108982.9706 299.3741 70.1519 103.7711 761925.3083 22.9129 22.7864 PRESSURE: 3798600 85.9434 174.332 178.211 174.333 -83.1796 -139.331 178.21 -139.33 144.827 GPRESSURE: 3798600 71.5553 176.977 229.987 171.161 -41.2031 -186.845 154.903 -135.624 188.097 PRESSAVG: 3798600 20.7574 -50.5613 -63.5677 -50.5613 -33.7426 0.788352 -63.5676 0.788337 20.6109 GPRESSAVG: 3798600 20.9794 -47.4361 -62.506 -54.1176 -33.7058 0.0612556 -63.403 1.35241 20.5599 TIMING: 3798600 CPU: 12003.4, 0.00316572/step Wall: 12003.4, 0.00316572/step, 1.05647 hours remaining, 236.421875 MB of memory in use. ENERGY: 3798600 3943.6374 20468.9988 14462.6092 236.3615 -203106.9724 2559.9348 0.0000 0.0000 52160.3942 -109275.0364 299.7665 -161435.4306 -108907.2948 299.4195 49.1971 72.8164 762183.9972 2.5419 2.6111 PRESSURE: 3798800 -214.394 -164.539 201.014 -164.538 -229.827 89.0818 201.015 89.0822 -39.9085 GPRESSURE: 3798800 -175.86 -93.8201 157.624 -82.6887 -226.075 104.988 63.6271 35.2433 10.195 PRESSAVG: 3798800 5.51302 -32.4757 -2.41576 -32.4756 8.13165 -12.9113 -2.41573 -12.9114 -39.3119 GPRESSAVG: 3798800 5.87251 -33.6369 -3.76795 -29.2787 6.81946 -11.0159 -1.55159 -14.05 -38.4001 TIMING: 3798800 CPU: 12004, 0.00314778/step Wall: 12004, 0.00314778/step, 1.05031 hours remaining, 236.421875 MB of memory in use. ENERGY: 3798800 3972.6480 20356.4502 14431.8410 236.5784 -202801.1049 2286.4648 0.0000 0.0000 52189.7612 -109327.3613 299.9353 -161517.1226 -108949.9546 299.7189 -161.3765 -130.5799 763067.5802 -8.5557 -8.5694 PRESSURE: 3799000 78.146 112.277 16.2482 112.277 222.743 321.995 16.2479 321.995 -103.836 GPRESSURE: 3799000 131.552 141.64 53.9664 34.0207 247.305 298.958 155.06 337.879 -96.9548 PRESSAVG: 3799000 -3.01833 -8.00863 17.2916 -8.00862 4.0643 36.0615 17.2917 36.0615 4.45357 GPRESSAVG: 3799000 -2.96835 -8.32786 18.3115 -10.4243 5.35972 32.6761 17.4289 37.7346 3.52679 TIMING: 3799000 CPU: 12004.6, 0.00314646/step Wall: 12004.6, 0.00314646/step, 1.0497 hours remaining, 236.421875 MB of memory in use. ENERGY: 3799000 3910.2600 20621.4524 14449.8382 227.6877 -203424.6559 2683.8693 0.0000 0.0000 52282.7595 -109248.7886 300.4697 -161531.5481 -108874.7287 299.5755 65.6842 93.9672 760289.5428 1.8332 1.9727 PRESSURE: 3799200 613.697 -185.836 131.647 -185.837 -42.0894 -7.67443 131.647 -7.67424 216.107 GPRESSURE: 3799200 576.437 -257.004 50.0418 -48.4751 48.543 -9.84162 156.395 55.783 249.231 PRESSAVG: 3799200 15.9035 -32.8872 -24.0883 -32.8871 -44.5745 16.005 -24.0883 16.0049 -7.53597 GPRESSAVG: 3799200 15.7214 -33.2149 -25.2174 -31.6626 -44.7881 17.9992 -24.0856 16.2466 -7.16561 TIMING: 3799200 CPU: 12005.3, 0.00315649/step Wall: 12005.3, 0.00315649/step, 1.05286 hours remaining, 236.421875 MB of memory in use. ENERGY: 3799200 4000.9606 20391.2695 14482.5517 250.1713 -203292.3792 2787.5465 0.0000 0.0000 52065.3965 -109314.4831 299.2205 -161379.8795 -108949.5183 299.3387 262.5717 291.4035 762222.4416 -12.0690 -12.0774 PRESSURE: 3799400 -390.417 -223.288 -159.081 -223.288 -262.512 -184.723 -159.081 -184.723 -153.868 GPRESSURE: 3799400 -349.304 -255.477 -188.115 -118.5 -246.167 -152.36 -77.5376 -157.39 -108.78 PRESSAVG: 3799400 20.9302 -65.8019 16.4876 -65.8019 -68.6593 65.4502 16.4877 65.4502 20.0538 GPRESSAVG: 3799400 20.2093 -63.5032 17.9833 -68.6138 -67.7749 64.7382 14.8537 65.2845 20.4155 TIMING: 3799400 CPU: 12005.9, 0.00315016/step Wall: 12005.9, 0.00315016/step, 1.05058 hours remaining, 236.421875 MB of memory in use. ENERGY: 3799400 4014.6419 20541.6912 14535.0415 238.4494 -202856.6177 2355.1237 0.0000 0.0000 51871.2188 -109300.4512 298.1046 -161171.6700 -108940.6065 299.4710 -268.9325 -234.7501 763765.3302 -9.2251 -9.0500 PRESSURE: 3799600 -237.488 40.3247 -52.421 40.3241 52.4492 151.298 -52.4202 151.297 195.271 GPRESSURE: 3799600 -232.455 -2.34767 -29.0405 40.5118 85.0004 103.246 -47.1704 -9.82141 237.664 PRESSAVG: 3799600 27.3886 -63.0712 10.666 -63.0712 14.3275 23.9267 10.6659 23.9267 15.9211 GPRESSAVG: 3799600 29.3627 -63.8977 10.195 -59.5101 13.2801 24.5581 11.6389 24.5978 15.1338 TIMING: 3799600 CPU: 12006.5, 0.00315174/step Wall: 12006.5, 0.00315174/step, 1.05093 hours remaining, 236.492188 MB of memory in use. ENERGY: 3799600 4004.3411 20428.4231 14422.3046 242.4851 -203241.9738 2618.8566 0.0000 0.0000 52125.6527 -109399.9107 299.5668 -161525.5634 -109032.5917 299.7378 3.4109 30.0697 761944.5076 19.2124 19.2588 PRESSURE: 3799800 -243.665 -43.6266 282.522 -43.6276 24.9105 -157.333 282.523 -157.333 -260.384 GPRESSURE: 3799800 -195.431 -67.1749 390.951 -142.725 122.271 -96.5237 128.786 -46.1781 -313.259 PRESSAVG: 3799800 17.3925 8.55982 52.9957 8.55982 -19.5341 19.4983 52.9956 19.4983 2.01368 GPRESSAVG: 3799800 16.0963 10.1561 53.5768 8.33497 -18.7335 19.9816 53.4894 19.6539 2.88794 TIMING: 3799800 CPU: 12007.2, 0.00315359/step Wall: 12007.2, 0.00315359/step, 1.05137 hours remaining, 236.492188 MB of memory in use. ENERGY: 3799800 4009.7430 20383.8720 14425.9812 244.8330 -202777.4960 2233.1580 0.0000 0.0000 51877.7572 -109602.1517 298.1422 -161479.9089 -109243.5491 299.3087 -159.7126 -128.8063 761548.7986 -0.0426 0.0836 PRESSURE: 3800000 214.215 -36.8869 497.655 -36.8863 -8.68899 16.1887 497.655 16.1876 464.517 GPRESSURE: 3800000 298.102 -52.1598 429.409 -52.0519 98.2149 20.9077 480.885 3.03988 331.88 PRESSAVG: 3800000 -26.941 20.018 20.4597 20.018 1.60425 -10.4843 20.4597 -10.4843 -9.80446 GPRESSAVG: 3800000 -25.9433 18.0457 19.5203 20.4055 2.31816 -11.216 20.2788 -11.1405 -11.7534 TIMING: 3800000 CPU: 12007.8, 0.00316579/step Wall: 12007.8, 0.00316579/step, 1.05526 hours remaining, 236.492188 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: 3800000 3899.7018 20336.6709 14416.1778 243.3599 -203317.2050 2652.3453 0.0000 0.0000 52190.4652 -109578.4841 299.9393 -161768.9493 -109205.5222 298.8113 223.3475 242.7324 760863.4864 -11.7137 -11.7928 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.1.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 94.9977 -66.3643 -51.5252 -66.3645 -379.242 46.5148 -51.5258 46.5147 184.843 GPRESSURE: 3800200 118.478 -81.3705 -114.873 -45.8159 -282.248 -20.0138 -87.5731 13.1357 156.341 PRESSAVG: 3800200 5.75153 -8.10162 63.0137 -8.10162 -6.5445 40.4991 63.0137 40.4991 -4.33343 GPRESSAVG: 3800200 3.07552 -8.4874 63.2777 -11.0309 -6.31423 41.765 62.9953 38.5766 -1.7644 TIMING: 3800200 CPU: 12008.5, 0.00346742/step Wall: 12008.5, 0.00346742/step, 1.15561 hours remaining, 236.492188 MB of memory in use. ENERGY: 3800200 3852.8697 20523.2372 14434.0162 246.2322 -203038.0963 2507.0747 0.0000 0.0000 51938.0787 -109536.5878 298.4889 -161474.6665 -109187.4442 298.9883 -33.1338 -2.4763 761941.1292 -1.7088 -1.6677 LDB: ============= START OF LOAD BALANCING ============== 12021 LDB: ============== END OF LOAD BALANCING =============== 12021 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12021 LDB: ============= START OF LOAD BALANCING ============== 12021.3 LDB: Largest compute 7076 load 0.034007 is 17.4% of average load 0.195665 LDB: Average compute 0.004379 is 2.2% of average load 0.195665 LDB: TIME 12021.4 LOAD: AVG 0.195665 MAX 0.215571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.762 MB LDB: TIME 12021.4 LOAD: AVG 0.195665 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.965 MB LDB: TIME 12021.4 LOAD: AVG 0.195665 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.965 MB LDB: ============== END OF LOAD BALANCING =============== 12021.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12021.4 PRESSURE: 3800400 -47.6905 62.2783 -51.5566 62.2779 -327.676 46.1062 -51.5565 46.1062 -40.8148 GPRESSURE: 3800400 -46.3553 7.0187 -57.5203 64.0509 -210.327 123.656 86.268 -54.2802 -50.5759 PRESSAVG: 3800400 2.04987 3.5628 65.0723 3.56277 22.4899 30.287 65.0723 30.2869 -9.4594 GPRESSAVG: 3800400 5.10825 3.43036 66.3024 5.15032 20.8625 28.7631 65.0593 32.6917 -10.8933 TIMING: 3800400 CPU: 12009.1, 0.00322251/step Wall: 12009.1, 0.00322251/step, 1.07381 hours remaining, 234.871094 MB of memory in use. ENERGY: 3800400 4036.8256 20490.2775 14485.6848 235.3351 -203252.6418 2510.5325 0.0000 0.0000 52171.9862 -109322.0001 299.8331 -161493.9864 -108963.1113 299.2450 -138.7273 -102.4193 762423.0383 5.0268 5.0258 PRESSURE: 3800600 -78.2918 0.66079 -130.767 0.660553 -193.91 -19.6155 -130.767 -19.6148 32.2765 GPRESSURE: 3800600 -41.9376 130.446 -131.452 25.5523 -142.951 -13.5736 -127.45 65.7361 50.6839 PRESSAVG: 3800600 -13.8499 -43.5528 -21.2063 -43.5529 13.551 -17.975 -21.2063 -17.9749 6.55251 GPRESSAVG: 3800600 -13.9115 -42.1708 -21.2533 -43.5769 13.7272 -18.1928 -21.8702 -18.2518 6.42004 TIMING: 3800600 CPU: 12009.8, 0.0031712/step Wall: 12009.8, 0.0031712/step, 1.05654 hours remaining, 235.074219 MB of memory in use. ENERGY: 3800600 4045.1800 20468.2005 14463.5904 251.7181 -203411.9059 2544.2574 0.0000 0.0000 52175.5260 -109463.4336 299.8535 -161638.9596 -109101.6145 298.8475 -79.9752 -44.7350 761328.8901 2.0845 2.0786 PRESSURE: 3800800 9.5858 25.9521 1.75853 25.9508 94.6097 -15.6052 1.75834 -15.6052 -147.256 GPRESSURE: 3800800 10.9459 64.0923 -75.2193 6.86592 144.018 -4.82695 -87.9345 -46.6529 -110.179 PRESSAVG: 3800800 -40.6167 -9.61417 4.59511 -9.6142 32.13 21.4734 4.59513 21.4734 0.054989 GPRESSAVG: 3800800 -40.544 -9.70395 4.84595 -11.1889 32.418 22.0823 5.41293 21.1581 -0.401077 TIMING: 3800800 CPU: 12010.4, 0.00315134/step Wall: 12010.4, 0.00315134/step, 1.04975 hours remaining, 235.277344 MB of memory in use. ENERGY: 3800800 3981.9720 20575.6214 14499.0322 267.1463 -203200.1715 2485.5711 0.0000 0.0000 52029.2452 -109361.5833 299.0128 -161390.8285 -109005.2352 299.4334 -14.3534 14.9282 762430.8073 -2.8106 -2.8424 PRESSURE: 3801000 -79.2613 59.5249 29.6411 59.5253 -17.6729 -18.9647 29.6422 -18.9651 -339.384 GPRESSURE: 3801000 -106.912 17.0203 151.007 45.8142 59.6248 -18.6452 121.923 139.139 -301.817 PRESSAVG: 3801000 -49.2747 -14.4154 37.711 -14.4154 -0.137729 -28.6352 37.711 -28.6351 -4.78574 GPRESSAVG: 3801000 -49.4687 -16.2971 38.5084 -13.6559 -0.137587 -28.7627 36.5353 -29.0139 -4.69259 TIMING: 3801000 CPU: 12011, 0.00314393/step Wall: 12011, 0.00314393/step, 1.0471 hours remaining, 235.343750 MB of memory in use. ENERGY: 3801000 4038.6740 20457.5199 14450.9509 241.4543 -203387.4514 2670.8627 0.0000 0.0000 52178.3464 -109349.6433 299.8697 -161527.9897 -108986.3968 299.2798 -145.4393 -116.3680 763238.1094 -18.0661 -18.0996 PRESSURE: 3801200 101.929 -30.0244 168.308 -30.0242 80.5864 -183.111 168.308 -183.112 78.4256 GPRESSURE: 3801200 175.779 -25.4469 47.2431 -89.3872 46.9478 -120.443 157.534 -174.372 103.898 PRESSAVG: 3801200 4.62998 -37.095 12.9275 -37.0949 -33.5164 -17.5058 12.9275 -17.5058 1.69574 GPRESSAVG: 3801200 4.18065 -34.9557 10.1225 -38.0143 -33.267 -17.0457 14.0992 -17.7225 2.08111 TIMING: 3801200 CPU: 12011.7, 0.00314707/step Wall: 12011.7, 0.00314707/step, 1.04797 hours remaining, 235.343750 MB of memory in use. ENERGY: 3801200 4081.4663 20521.9772 14457.9850 231.2997 -203736.6192 3033.2781 0.0000 0.0000 52146.3070 -109264.3058 299.6855 -161410.6129 -108910.0868 299.1437 86.9803 108.8748 760481.1724 -9.0635 -9.0017 PRESSURE: 3801400 -352.996 -58.6659 12.7561 -58.6662 -91.1422 102.48 12.7561 102.48 -64.2159 GPRESSURE: 3801400 -347.27 -117.054 -27.9956 -138.11 13.4516 81.5195 -29.8202 140.85 -75.4707 PRESSAVG: 3801400 -18.987 -49.3851 25.9262 -49.385 -29.4451 -23.623 25.9262 -23.623 -5.37557 GPRESSAVG: 3801400 -18.8148 -48.7477 27.2206 -49.6333 -29.162 -23.4308 24.2773 -21.3365 -5.80599 TIMING: 3801400 CPU: 12012.3, 0.00316431/step Wall: 12012.3, 0.00316431/step, 1.05354 hours remaining, 235.343750 MB of memory in use. ENERGY: 3801400 4038.5157 20426.5239 14476.6106 264.8247 -203392.1973 2654.6987 0.0000 0.0000 52239.6982 -109291.3255 300.2223 -161531.0236 -108931.3829 299.5560 -169.4513 -136.4297 760950.8268 -17.9359 -17.9276 PRESSURE: 3801600 252.168 54.1823 336.42 54.1818 -242.377 113.196 336.421 113.196 115.451 GPRESSURE: 3801600 285.359 -42.784 341.953 105.4 -92.2946 133.587 358.9 37.1494 51.6567 PRESSAVG: 3801600 -34.3489 -29.5098 54.0692 -29.5099 16.6456 -9.93422 54.0691 -9.93423 -2.1086 GPRESSAVG: 3801600 -34.7447 -28.7743 53.6653 -30.6216 18.7879 -10.3302 54.9871 -9.41754 -2.97094 TIMING: 3801600 CPU: 12012.9, 0.0031667/step Wall: 12012.9, 0.0031667/step, 1.05416 hours remaining, 235.343750 MB of memory in use. ENERGY: 3801600 3971.9251 20517.2848 14375.9269 257.6003 -203574.2691 2590.2356 0.0000 0.0000 52351.4494 -109509.8471 300.8645 -161861.2965 -109143.9508 299.8012 41.7473 81.5736 760361.0171 -6.6040 -6.3092 PRESSURE: 3801800 146.211 -213.957 -38.2373 -213.957 -13.1002 131.327 -38.238 131.326 -61.6003 GPRESSURE: 3801800 86.2848 -45.1356 -37.4585 -121.782 70.4893 119.62 -90.7926 45.6028 -2.05898 PRESSAVG: 3801800 -49.669 -38.8211 17.6603 -38.8211 29.718 1.96119 17.6603 1.96126 2.23428 GPRESSAVG: 3801800 -47.8417 -40.1851 18.3068 -36.4278 27.2935 2.83226 17.0161 1.03439 2.4836 TIMING: 3801800 CPU: 12013.6, 0.00315242/step Wall: 12013.6, 0.00315242/step, 1.04923 hours remaining, 235.343750 MB of memory in use. ENERGY: 3801800 4010.9969 20553.7766 14441.6572 258.8350 -203283.3641 2773.9314 0.0000 0.0000 52068.4857 -109175.6812 299.2383 -161244.1670 -108816.2516 299.2631 23.8368 51.5717 759833.8474 -5.9056 -6.0215 PRESSURE: 3802000 -456.11 -134.519 -60.1945 -134.519 -450.44 -200.539 -60.195 -200.539 -234.482 GPRESSURE: 3802000 -421.939 -202.995 35.5908 -135.754 -409.775 -196.463 -165.182 -31.3439 -235.452 PRESSAVG: 3802000 -58.5365 -23.1067 47.7226 -23.1068 61.535 -51.5415 47.7227 -51.5415 14.8749 GPRESSAVG: 3802000 -58.851 -22.5765 48.0109 -22.4744 61.8595 -52.2624 47.6097 -49.4493 15.3281 TIMING: 3802000 CPU: 12014.2, 0.00315045/step Wall: 12014.2, 0.00315045/step, 1.0484 hours remaining, 235.343750 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: 3802000 4079.2848 20553.1147 14374.9770 255.9640 -203191.7392 2396.5121 0.0000 0.0000 52154.9940 -109376.8926 299.7355 -161531.8866 -109008.9934 300.0293 -380.3441 -355.7222 761753.0983 5.9578 6.1122 PRESSURE: 3802200 -32.5406 127.247 -5.48089 127.247 -93.424 -172.716 -5.48121 -172.716 -72.5289 GPRESSURE: 3802200 68.7434 39.2112 -15.0255 41.7681 -24.7675 -232.633 23.1936 -197.476 -157.607 PRESSAVG: 3802200 -33.9746 -67.9398 46.6464 -67.9398 36.242 -81.8848 46.6464 -81.8847 12.3954 GPRESSAVG: 3802200 -34.6895 -68.866 45.8365 -69.0234 37.8906 -82.0631 46.0696 -82.7377 11.5905 TIMING: 3802200 CPU: 12014.8, 0.00315813/step Wall: 12014.8, 0.00315813/step, 1.05078 hours remaining, 235.343750 MB of memory in use. ENERGY: 3802200 4054.2744 20535.1163 14538.7290 234.8387 -202965.7288 2296.4799 0.0000 0.0000 51962.5588 -109343.7317 298.6295 -161306.2904 -108981.1490 299.6322 -66.1645 -37.8770 761083.7556 4.8876 4.9305 PRESSURE: 3802400 -62.772 43.9681 -18.2905 43.969 65.1667 -50.3003 -18.2898 -50.3001 -16.069 GPRESSURE: 3802400 -141.854 11.7114 -18.7319 -1.27856 167.795 -7.55607 -94.1173 -19.2355 43.2133 PRESSAVG: 3802400 -54.4299 -60.1378 2.75878 -60.1378 90.1555 -49.4336 2.75876 -49.4336 -0.0680112 GPRESSAVG: 3802400 -53.5485 -60.0242 3.78591 -60.4097 88.3931 -48.7726 5.0673 -50.8783 0.846845 TIMING: 3802400 CPU: 12015.5, 0.0031592/step Wall: 12015.5, 0.0031592/step, 1.05096 hours remaining, 235.343750 MB of memory in use. ENERGY: 3802400 4060.0126 20595.6554 14436.7228 237.0269 -202951.1707 2301.3741 0.0000 0.0000 51692.4316 -109627.9473 297.0771 -161320.3789 -109270.4367 298.9819 -4.5581 23.0517 761477.6441 11.8859 11.8972 PRESSURE: 3802600 272.313 45.349 39.3823 45.349 -62.4705 169.879 39.3815 169.879 -269.307 GPRESSURE: 3802600 395.378 117.191 28.5726 81.1698 -83.9093 171.169 97.8617 102.929 -281.122 PRESSAVG: 3802600 -6.9072 -17.7703 -6.8711 -17.7703 11.1209 -29.0855 -6.87104 -29.0855 -11.9141 GPRESSAVG: 3802600 -7.96097 -17.5723 -8.66571 -16.0758 12.2269 -29.3482 -5.22628 -28.5792 -12.1741 TIMING: 3802600 CPU: 12016.1, 0.00316572/step Wall: 12016.1, 0.00316572/step, 1.05296 hours remaining, 235.343750 MB of memory in use. ENERGY: 3802600 4011.2621 20557.2437 14388.6682 249.1341 -203337.8712 2560.8229 0.0000 0.0000 51863.6931 -109707.0471 298.0614 -161570.7401 -109350.8358 298.4624 -19.8216 10.1154 761090.4527 -2.5668 -2.6361 PRESSURE: 3802800 -228.802 -99.3517 -57.7952 -99.3515 -58.8403 -100.028 -57.7947 -100.029 550.84 GPRESSURE: 3802800 -157.714 -107.384 -93.3701 13.0852 23.0627 -92.6177 -103.801 41.5373 483.163 PRESSAVG: 3802800 71.9221 -27.0395 58.6991 -27.0395 -27.5292 -36.929 58.6992 -36.929 15.7777 GPRESSAVG: 3802800 72.7746 -26.1483 59.2042 -28.3126 -27.7944 -36.5625 55.5712 -34.1686 14.9372 TIMING: 3802800 CPU: 12016.7, 0.00315916/step Wall: 12016.7, 0.00315916/step, 1.0506 hours remaining, 235.343750 MB of memory in use. ENERGY: 3802800 3934.0678 20302.2336 14445.0989 258.5521 -203272.0845 2570.9721 0.0000 0.0000 52040.5991 -109720.5607 299.0780 -161761.1599 -109371.0636 298.9626 87.7328 116.1705 760463.4796 20.0569 19.9725 PRESSURE: 3803000 10.4143 -58.6981 32.1871 -58.6988 -118.286 182.192 32.1874 182.194 23.6511 GPRESSURE: 3803000 76.4514 -13.1164 -2.41923 -111.401 -63.8214 148.818 66.6563 80.8292 -24.5474 PRESSAVG: 3803000 33.6318 -44.3048 17.4746 -44.3048 -43.3592 -18.8975 17.4747 -18.8975 -3.93771 GPRESSAVG: 3803000 32.0418 -44.4589 18.5853 -46.5181 -43.1253 -19.6772 18.0628 -21.8653 -2.65478 TIMING: 3803000 CPU: 12017.4, 0.00315227/step Wall: 12017.4, 0.00315227/step, 1.04813 hours remaining, 235.343750 MB of memory in use. ENERGY: 3803000 3987.0968 20456.2835 14420.7048 252.2328 -203536.5892 2592.8501 0.0000 0.0000 51927.2199 -109900.2013 298.4264 -161827.4212 -109536.8546 298.6433 -28.0734 -3.9725 759989.3145 -4.5550 -4.5794 PRESSURE: 3803200 -96.0158 -66.3232 -293.322 -66.3236 -293.75 -19.2704 -293.321 -19.2712 35.7152 GPRESSURE: 3803200 -123.733 -88.9673 -296.76 -21.0704 -285.128 36.6284 -224.439 78.6584 139.906 PRESSAVG: 3803200 14.0625 -3.55888 45.5831 -3.55888 -9.02614 -14.4935 45.5831 -14.4936 8.32514 GPRESSAVG: 3803200 14.464 -3.10619 45.5888 -2.37807 -9.24485 -14.258 46.324 -14.3646 7.5424 TIMING: 3803200 CPU: 12018, 0.00316611/step Wall: 12018, 0.00316611/step, 1.05256 hours remaining, 235.343750 MB of memory in use. ENERGY: 3803200 4020.1534 20500.2048 14423.0489 226.3360 -203400.3228 2664.7021 0.0000 0.0000 51781.2477 -109784.6301 297.5875 -161565.8778 -109429.6572 298.2939 -118.0169 -89.6519 760462.7731 4.4538 4.2539 PRESSURE: 3803400 -159.709 -78.6139 130.207 -78.6142 43.221 -231.099 130.207 -231.1 -221.788 GPRESSURE: 3803400 -129.468 -155.471 137.413 55.421 78.635 -354.348 77.4616 -352.422 -201.033 PRESSAVG: 3803400 -8.13076 7.07335 -27.7815 7.07332 -11.6265 -44.8707 -27.7814 -44.8708 -38.0294 GPRESSAVG: 3803400 -7.26721 7.69721 -28.332 7.56706 -11.8889 -44.6852 -29.2665 -42.9335 -39.1291 TIMING: 3803400 CPU: 12018.6, 0.00314194/step Wall: 12018.6, 0.00314194/step, 1.04434 hours remaining, 235.343750 MB of memory in use. ENERGY: 3803400 4065.3244 20471.7194 14401.4123 242.1094 -203519.5822 2438.0496 0.0000 0.0000 51982.8612 -109918.1058 298.7462 -161900.9671 -109548.0051 298.4373 -112.7586 -83.9555 759218.4156 -19.2622 -19.4284 PRESSURE: 3803600 200.431 -63.8558 -51.6975 -63.855 -41.3474 -74.9751 -51.6975 -74.9767 187.062 GPRESSURE: 3803600 194.726 85.5999 -0.906047 -56.1903 14.0684 -76.3951 -133.516 0.194774 226.587 PRESSAVG: 3803600 31.9536 4.63314 -11.8194 4.63312 -47.9747 -41.8585 -11.8194 -41.8584 8.3416 GPRESSAVG: 3803600 31.9256 3.76466 -12.93 3.85786 -47.9627 -41.7013 -11.5285 -43.2418 8.23442 TIMING: 3803600 CPU: 12019.2, 0.00315714/step Wall: 12019.2, 0.00315714/step, 1.04922 hours remaining, 235.343750 MB of memory in use. ENERGY: 3803600 3981.5775 20621.2878 14487.2997 254.2473 -203498.6161 2495.1603 0.0000 0.0000 52020.0292 -109639.0144 298.9598 -161659.0436 -109278.3903 298.4962 115.3817 145.1270 760137.4054 -2.5598 -2.6009 PRESSURE: 3803800 -253.572 -48.7147 -14.8071 -48.7153 -269.248 -119.542 -14.8063 -119.541 -82.8276 GPRESSURE: 3803800 -213.497 34.2725 -40.4551 -95.6045 -265.298 -177.925 51.5269 -65.8696 -27.1093 PRESSAVG: 3803800 -36.5988 -27.5183 35.0086 -27.5183 9.62717 -23.4704 35.0087 -23.4705 20.4154 GPRESSAVG: 3803800 -37.5989 -28.2773 37.5799 -28.7591 9.46267 -25.402 35.1904 -23.3676 21.226 TIMING: 3803800 CPU: 12019.9, 0.00314437/step Wall: 12019.9, 0.00314437/step, 1.0448 hours remaining, 235.343750 MB of memory in use. ENERGY: 3803800 4059.0892 20571.4469 14379.4698 249.0489 -203146.0332 2274.7744 0.0000 0.0000 52000.0734 -109612.1305 298.8451 -161612.2039 -109246.8026 299.3429 -201.8827 -168.6346 761671.9237 -2.1854 -2.3034 PRESSURE: 3804000 -52.3898 159.297 155.849 159.296 -143.655 80.6645 155.85 80.6653 68.4691 GPRESSURE: 3804000 5.40217 210.481 89.9677 142.835 -127.978 49.1523 172.366 57.4709 83.2948 PRESSAVG: 3804000 3.03614 9.21096 4.74556 9.21093 -11.2408 -12.9917 4.74554 -12.9916 8.30615 GPRESSAVG: 3804000 2.59171 10.0946 3.55752 11.2467 -11.0596 -10.9463 5.77488 -13.627 9.03679 TIMING: 3804000 CPU: 12020.5, 0.0031568/step Wall: 12020.5, 0.0031568/step, 1.04876 hours remaining, 235.343750 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: 3804000 4017.3220 20520.9378 14341.0637 256.9065 -203352.9018 2481.5161 0.0000 0.0000 51897.6052 -109837.5505 298.2563 -161735.1557 -109474.0669 298.9499 -42.5251 -13.0937 761830.6865 0.0338 0.1896 PRESSURE: 3804200 272.483 70.0938 123.389 70.0941 219.238 -268.459 123.39 -268.46 739.458 GPRESSURE: 3804200 302.186 103.632 63.1348 54.3346 249.699 -264.803 209.503 -111.615 763.86 PRESSAVG: 3804200 46.3211 -6.16701 44.2482 -6.167 -39.291 11.1541 44.2482 11.1541 2.32728 GPRESSAVG: 3804200 47.6909 -6.07204 44.7649 -7.54627 -39.0364 9.02239 43.1881 12.1333 0.979016 TIMING: 3804200 CPU: 12021.1, 0.00316415/step Wall: 12021.1, 0.00316415/step, 1.05102 hours remaining, 235.343750 MB of memory in use. ENERGY: 3804200 3896.3374 20539.9703 14384.5870 235.8082 -203715.9897 2847.2664 0.0000 0.0000 52025.4976 -109786.5228 298.9913 -161812.0205 -109436.1387 298.0427 410.3929 438.5815 760762.6643 3.1191 3.2112 LDB: ============= START OF LOAD BALANCING ============== 12033.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12033.7 LDB: =============== DONE WITH MIGRATION ================ 12033.7 LDB: ============= START OF LOAD BALANCING ============== 12034 LDB: Largest compute 7057 load 0.033168 is 17.0% of average load 0.195608 LDB: Average compute 0.004393 is 2.2% of average load 0.195608 LDB: TIME 12034 LOAD: AVG 0.195608 MAX 0.214345 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.137 MB LDB: TIME 12034 LOAD: AVG 0.195608 MAX 0.214345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.164 MB LDB: TIME 12034 LOAD: AVG 0.195608 MAX 0.214345 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.164 MB LDB: ============== END OF LOAD BALANCING =============== 12034 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12034 PRESSURE: 3804400 87.6251 41.2916 -1.14704 41.2916 -33.1677 355.877 -1.1473 355.878 113.559 GPRESSURE: 3804400 115.805 60.0381 36.9846 64.1773 31.8514 364.754 29.0916 296.094 123.365 PRESSAVG: 3804400 9.69797 -42.057 -12.4993 -42.057 -7.4995 -42.4951 -12.4993 -42.4951 13.64 GPRESSAVG: 3804400 10.5548 -43.3621 -11.6434 -38.9848 -9.21005 -41.0911 -12.5361 -42.835 14.0787 TIMING: 3804400 CPU: 12021.8, 0.00322628/step Wall: 12021.8, 0.00322628/step, 1.07148 hours remaining, 236.664062 MB of memory in use. ENERGY: 3804400 4007.3426 20495.1780 14441.9105 254.3439 -203105.4286 2483.6533 0.0000 0.0000 51842.2002 -109580.8001 297.9378 -161423.0003 -109229.4505 298.3111 56.0056 90.3405 761724.3938 5.2795 5.1412 PRESSURE: 3804600 -296.837 96.0484 -114.276 96.0491 86.3362 27.6119 -114.276 27.6118 -79.367 GPRESSURE: 3804600 -186.891 107.656 -18.7979 16.0839 173.971 -87.3512 -201.652 -58.6981 -186.176 PRESSAVG: 3804600 -5.39445 -15.4035 51.4778 -15.4035 -1.62851 -2.37974 51.4778 -2.37977 8.19514 GPRESSAVG: 3804600 -5.44488 -16.5776 49.9328 -18.4143 -0.550367 -2.47915 52.5252 -3.73839 7.47217 TIMING: 3804600 CPU: 12022.4, 0.00316578/step Wall: 12022.4, 0.00316578/step, 1.05121 hours remaining, 236.921875 MB of memory in use. ENERGY: 3804600 4036.6781 20470.5425 14432.3291 252.0612 -203375.4277 2373.6979 0.0000 0.0000 52217.0785 -109593.0404 300.0923 -161810.1190 -109234.4107 299.0492 -96.6225 -66.3653 760902.1103 0.3907 0.4923 PRESSURE: 3804800 359.987 -329.413 32.2742 -329.412 -206.633 -70.4283 32.2742 -70.4281 330.672 GPRESSURE: 3804800 503.266 -225.284 2.14145 -278.713 -166.979 23.5712 21.8152 -13.9021 248.632 PRESSAVG: 3804800 -11.8135 -10.9193 -68.7973 -10.9194 -2.31901 -16.5566 -68.7973 -16.5567 -6.83967 GPRESSAVG: 3804800 -11.7131 -11.1968 -70.5049 -9.86351 -1.42669 -15.8289 -68.7815 -14.3478 -7.08663 TIMING: 3804800 CPU: 12023, 0.00315233/step Wall: 12023, 0.00315233/step, 1.04657 hours remaining, 236.921875 MB of memory in use. ENERGY: 3804800 3979.0456 20658.6011 14399.3110 247.9005 -204034.0965 3104.6841 0.0000 0.0000 51891.2119 -109753.3424 298.2195 -161644.5542 -109399.3021 299.2969 161.3420 194.9731 759951.3096 -6.9907 -6.7421 PRESSURE: 3805000 224.606 220.073 47.3459 220.074 111.421 -102.853 47.3468 -102.852 102.426 GPRESSURE: 3805000 267.743 208.334 92.819 68.1634 146.209 -54.1668 41.1054 -97.3362 112.944 PRESSAVG: 3805000 74.7151 -36.6068 -59.3275 -36.6067 -70.0051 -30.8459 -59.3275 -30.8458 7.11393 GPRESSAVG: 3805000 74.549 -34.8641 -59.0624 -37.3491 -70.0645 -32.0039 -59.6802 -30.7585 7.48967 TIMING: 3805000 CPU: 12023.7, 0.00314397/step Wall: 12023.7, 0.00314397/step, 1.04362 hours remaining, 236.921875 MB of memory in use. ENERGY: 3805000 4012.2274 20540.6470 14428.4650 245.4563 -203127.8324 2282.3692 0.0000 0.0000 52012.8500 -109605.8174 298.9186 -161618.6674 -109244.2292 298.7330 146.1513 175.6320 760168.6770 3.9413 3.9914 PRESSURE: 3805200 -71.3873 165.998 -96.4073 165.997 140.573 -102.748 -96.4079 -102.748 -0.418055 GPRESSURE: 3805200 44.1662 172.429 -76.7624 91.2665 64.0592 -122.747 -49.1052 -23.1644 37.5745 PRESSAVG: 3805200 26.9523 9.84059 -37.339 9.84062 -16.3471 15.4431 -37.3391 15.4431 -12.0197 GPRESSAVG: 3805200 26.5671 8.48846 -35.5708 10.1458 -17.9924 17.4825 -35.8937 16.0846 -10.4371 TIMING: 3805200 CPU: 12024.3, 0.00316452/step Wall: 12024.3, 0.00316452/step, 1.05027 hours remaining, 236.921875 MB of memory in use. ENERGY: 3805200 4012.8505 20539.6595 14407.1268 261.2959 -203462.2823 2658.9115 0.0000 0.0000 51938.3434 -109644.0946 298.4904 -161582.4380 -109297.2055 298.7839 22.9227 48.6000 760923.6371 -0.4715 -0.6208 PRESSURE: 3805400 22.7941 47.9389 -148.3 47.938 36.1163 79.7407 -148.301 79.7404 288.023 GPRESSURE: 3805400 61.4106 18.5072 -91.8508 -12.6108 97.705 103.549 -227.052 -60.6711 269.396 PRESSAVG: 3805400 37.5615 6.936 -52.2408 6.93597 -44.1223 -25.025 -52.2408 -25.0249 -8.16669 GPRESSAVG: 3805400 38.7662 8.25714 -53.0851 6.87129 -42.8161 -26.4155 -54.9066 -26.9345 -10.145 TIMING: 3805400 CPU: 12024.9, 0.00316164/step Wall: 12024.9, 0.00316164/step, 1.04914 hours remaining, 236.921875 MB of memory in use. ENERGY: 3805400 3908.8524 20380.1217 14433.3411 234.8715 -203476.0962 2765.6388 0.0000 0.0000 52158.7565 -109594.5141 299.7571 -161753.2706 -109227.6410 298.6827 115.6444 142.8372 762074.3273 -4.9092 -4.7316 PRESSURE: 3805600 105.715 -13.5785 91.7804 -13.579 -160.371 90.9362 91.7812 90.9361 -88.8377 GPRESSURE: 3805600 60.2576 -45.6498 79.5313 -124.065 -111.315 87.5246 -93.8524 -63.1462 -2.37225 PRESSAVG: 3805600 20.7139 42.2454 -27.5139 42.2454 30.0164 25.6486 -27.5139 25.6485 8.59199 GPRESSAVG: 3805600 20.5259 41.4781 -28.5215 41.6564 30.9952 27.3497 -26.6206 25.5426 8.36075 TIMING: 3805600 CPU: 12025.6, 0.00314235/step Wall: 12025.6, 0.00314235/step, 1.04256 hours remaining, 236.921875 MB of memory in use. ENERGY: 3805600 4040.1054 20377.7385 14428.4092 232.0367 -203243.2908 2531.5783 0.0000 0.0000 52127.9198 -109505.5029 299.5799 -161633.4227 -109143.4935 299.1776 -47.8312 -17.8100 762267.6519 19.7741 19.9606 PRESSURE: 3805800 -103.915 -33.1114 278.4 -33.1122 -7.99191 200.094 278.4 200.094 3.69587 GPRESSURE: 3805800 -74.7247 -5.41102 290.927 -2.63547 132.085 162.607 264.198 167.524 -65.3218 PRESSAVG: 3805800 16.0347 -46.682 27.3015 -46.682 -1.15831 12.8845 27.3015 12.8845 -5.50214 GPRESSAVG: 3805800 17.5003 -46.3824 29.1212 -47.6217 -1.06794 13.3504 26.6118 12.9022 -7.36647 TIMING: 3805800 CPU: 12026.2, 0.00314461/step Wall: 12026.2, 0.00314461/step, 1.04314 hours remaining, 236.921875 MB of memory in use. ENERGY: 3805800 3997.3289 20463.4602 14386.1019 249.6513 -203447.8648 2583.4841 0.0000 0.0000 52291.1740 -109476.6643 300.5181 -161767.8383 -109108.8459 299.0716 -36.0705 -2.6540 762924.5063 3.1247 3.0220 PRESSURE: 3806000 -62.2923 -341.739 -47.1113 -341.738 124.003 -92.1153 -47.1117 -92.1165 244.041 GPRESSURE: 3806000 13.808 -290.193 -19.8325 -346.758 154.839 -106.617 -42.9899 65.3597 204.576 PRESSAVG: 3806000 33.2775 -15.865 -3.77879 -15.865 -22.1109 38.1911 -3.77876 38.1911 -2.07097 GPRESSAVG: 3806000 31.0584 -17.0719 -5.81465 -13.3139 -22.5925 37.6021 -4.88279 40.0796 0.418081 TIMING: 3806000 CPU: 12026.8, 0.00314763/step Wall: 12026.8, 0.00314763/step, 1.04396 hours remaining, 236.921875 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: 3806000 3940.5091 20578.0989 14455.6017 248.9859 -203423.0888 2592.0841 0.0000 0.0000 51965.9952 -109641.8138 298.6493 -161607.8090 -109279.1054 299.2159 101.9171 124.4076 762346.7815 3.0319 2.9613 PRESSURE: 3806200 -252.583 -150.49 -111.429 -150.491 75.1978 -182.945 -111.428 -182.946 199.462 GPRESSURE: 3806200 -187.264 -202.586 -106.896 -230.985 95.9 -116.347 64.7227 -254.322 194.418 PRESSAVG: 3806200 -11.558 -74.8365 -3.11191 -74.8365 40.7012 6.806 -3.11189 6.80608 6.0403 GPRESSAVG: 3806200 -10.1147 -75.0784 -1.82888 -75.4145 40.3088 5.24942 -0.757531 7.30286 4.95413 TIMING: 3806200 CPU: 12027.5, 0.0031327/step Wall: 12027.5, 0.0031327/step, 1.03884 hours remaining, 236.921875 MB of memory in use. ENERGY: 3806200 3935.6678 20564.4175 14446.2226 227.4312 -203444.8815 2546.9969 0.0000 0.0000 51872.1682 -109851.9772 298.1101 -161724.1455 -109489.0604 297.8905 7.3591 34.3513 762406.1553 11.7278 11.7161 PRESSURE: 3806400 188.835 -7.6067 -94.4996 -7.60584 -56.0851 -114.47 -94.4996 -114.47 278.671 GPRESSURE: 3806400 264.615 63.105 -149.191 51.9873 26.7335 -97.2566 -141.78 -44.0117 214.014 PRESSAVG: 3806400 59.7881 -66.7103 2.10455 -66.7103 -63.9218 -32.928 2.10453 -32.9281 -24.4866 GPRESSAVG: 3806400 59.2913 -64.8561 1.71877 -67.8617 -63.6603 -31.9863 0.717242 -31.5731 -24.2499 TIMING: 3806400 CPU: 12028.1, 0.00315503/step Wall: 12028.1, 0.00315503/step, 1.04607 hours remaining, 236.921875 MB of memory in use. ENERGY: 3806400 3893.9506 20590.2086 14326.1844 249.1762 -203430.6937 2604.6991 0.0000 0.0000 51987.8666 -109778.6081 298.7750 -161766.4747 -109411.0430 298.2556 137.1402 168.4541 761535.3543 -9.5401 -9.5396 PRESSURE: 3806600 199.994 70.4769 156.747 70.477 -169.564 -29.0729 156.748 -29.0735 440.995 GPRESSURE: 3806600 191.486 -29.4039 210.016 213.41 -42.7156 27.873 161.983 -124.206 399.349 PRESSAVG: 3806600 52.4988 -28.8898 11.5181 -28.8898 -62.0028 2.53529 11.5181 2.53539 -14.83 GPRESSAVG: 3806600 51.5806 -29.6192 12.4775 -27.5261 -61.1535 3.63783 12.1752 -0.419029 -14.9224 TIMING: 3806600 CPU: 12028.7, 0.00314454/step Wall: 12028.7, 0.00314454/step, 1.04242 hours remaining, 236.921875 MB of memory in use. ENERGY: 3806600 3991.0358 20591.3766 14421.3138 231.6912 -203291.8887 2343.2804 0.0000 0.0000 51841.2376 -109871.9533 297.9323 -161713.1909 -109516.2692 298.1314 157.1418 182.7063 760444.2108 -8.1114 -8.1651 PRESSURE: 3806800 -140.063 -137.194 -175.646 -137.194 -140.793 -50.8553 -175.647 -50.8546 -25.96 GPRESSURE: 3806800 -98.1354 -115.134 -238.282 -262.278 -155.302 -72.6567 -115.525 89.0851 28.086 PRESSAVG: 3806800 54.8461 -9.11925 5.73288 -9.11918 -62.0323 -36.9085 5.73288 -36.9085 -1.11868 GPRESSAVG: 3806800 54.2757 -10.6817 3.54306 -10.8179 -62.8424 -36.0874 4.7008 -36.2922 0.751682 TIMING: 3806800 CPU: 12029.3, 0.00314622/step Wall: 12029.3, 0.00314622/step, 1.0428 hours remaining, 236.921875 MB of memory in use. ENERGY: 3806800 4045.4913 20482.3592 14408.2434 235.0468 -203459.1814 2547.0839 0.0000 0.0000 51895.5086 -109845.4483 298.2442 -161740.9569 -109481.7743 298.3804 -102.2720 -75.1171 761063.7100 -2.7683 -2.6050 PRESSURE: 3807000 -251.932 -47.8505 8.37547 -47.8503 -196.634 -42.6292 8.37626 -42.63 -434.592 GPRESSURE: 3807000 -209.432 -159.496 69.6864 -1.73137 -272.343 -46.5113 -45.5167 -152.55 -316.903 PRESSAVG: 3807000 15.6864 -13.9843 -16.557 -13.9843 -52.1547 25.8908 -16.557 25.8908 -19.2501 GPRESSAVG: 3807000 17.1278 -14.9964 -14.9782 -13.316 -52.7842 24.0865 -15.4922 26.0212 -19.4531 TIMING: 3807000 CPU: 12030, 0.00314712/step Wall: 12030, 0.00314712/step, 1.04292 hours remaining, 236.921875 MB of memory in use. ENERGY: 3807000 4015.4532 20504.2651 14400.4882 242.2680 -203461.2439 2576.7497 0.0000 0.0000 51910.3680 -109811.6517 298.3296 -161722.0197 -109447.3788 298.2620 -294.3859 -266.2262 760937.9409 -18.5728 -18.3698 PRESSURE: 3807200 -156.49 144.605 120.596 144.606 -43.9281 59.1817 120.596 59.1819 345.634 GPRESSURE: 3807200 -183.489 253.172 62.6651 133.424 -57.5885 -23.7434 76.7591 87.041 454.662 PRESSAVG: 3807200 -6.5097 -19.1697 -39.5035 -19.1698 5.11611 -9.40218 -39.5035 -9.40215 -10.7985 GPRESSAVG: 3807200 -7.5177 -16.9376 -41.7625 -20.6354 6.16582 -8.59595 -40.6881 -9.26026 -10.983 TIMING: 3807200 CPU: 12030.6, 0.00315749/step Wall: 12030.6, 0.00315749/step, 1.04618 hours remaining, 236.921875 MB of memory in use. ENERGY: 3807200 3948.0676 20613.1996 14439.8260 226.2190 -203376.8020 2590.3878 0.0000 0.0000 51937.8004 -109621.3015 298.4873 -161559.1018 -109260.8214 298.5905 48.4053 71.1951 760647.2694 -4.0640 -4.1116 PRESSURE: 3807400 -96.3255 21.2092 -85.1194 21.2095 -0.284402 -58.2633 -85.12 -58.2634 -639.27 GPRESSURE: 3807400 -34.7364 50.7077 -128.385 -4.20272 -9.07272 -1.81382 -106.095 -60.4578 -597.109 PRESSAVG: 3807400 -53.3146 -45.8298 -46.4132 -45.8298 19.0791 4.8195 -46.4132 4.81953 -18.1385 GPRESSAVG: 3807400 -52.764 -49.0358 -46.1113 -43.9643 18.437 4.94232 -46.9397 6.2807 -18.3921 TIMING: 3807400 CPU: 12031.2, 0.00314449/step Wall: 12031.2, 0.00314449/step, 1.0417 hours remaining, 236.921875 MB of memory in use. ENERGY: 3807400 4002.7377 20685.6173 14462.4648 260.5113 -203322.4267 2443.5540 0.0000 0.0000 52023.1555 -109444.3860 298.9778 -161467.5416 -109073.2881 299.3440 -245.2932 -213.6393 762648.6561 -17.4580 -17.5730 PRESSURE: 3807600 116.482 101.038 -37.9721 101.038 -79.6835 186.84 -37.9718 186.84 -192.189 GPRESSURE: 3807600 133.147 63.0471 -76.4567 80.1263 -26.6173 181.338 58.0314 51.1224 -192.964 PRESSAVG: 3807600 50.3145 -9.3185 -3.88715 -9.31851 -16.764 -3.49268 -3.88713 -3.49265 12.6733 GPRESSAVG: 3807600 51.7645 -7.98232 -4.30046 -10.0913 -16.5889 -2.44417 -2.55254 -5.38231 11.2581 TIMING: 3807600 CPU: 12031.9, 0.00316013/step Wall: 12031.9, 0.00316013/step, 1.0467 hours remaining, 236.921875 MB of memory in use. ENERGY: 3807600 3946.1270 20511.8631 14541.2237 253.2302 -203757.6407 2924.9393 0.0000 0.0000 52020.6671 -109559.5903 298.9635 -161580.2574 -109198.0948 299.6482 -51.7968 -28.8116 761713.2674 15.4079 15.4779 PRESSURE: 3807800 -101.494 38.3055 -89.1536 38.306 -199.191 81.7661 -89.1536 81.7668 424.212 GPRESSURE: 3807800 -103.999 84.7914 -58.5502 -109.381 -104.427 16.5204 29.7107 116.44 408.491 PRESSAVG: 3807800 31.5235 -57.163 14.1919 -57.1629 -29.3031 -13.147 14.192 -13.147 -5.95879 GPRESSAVG: 3807800 32.0646 -55.4795 14.9413 -59.4743 -30.5085 -13.5233 14.3255 -12.5409 -5.08416 TIMING: 3807800 CPU: 12032.5, 0.00315132/step Wall: 12032.5, 0.00315132/step, 1.04361 hours remaining, 236.921875 MB of memory in use. ENERGY: 3807800 3956.3515 20440.9944 14409.8363 231.5909 -203480.0836 2549.2525 0.0000 0.0000 52135.0659 -109756.9921 299.6209 -161892.0579 -109389.1143 298.9866 41.1755 66.6886 761739.0564 -1.2461 -1.1760 PRESSURE: 3808000 548.569 -53.1802 37.7913 -53.1801 -23.0737 -59.1219 37.7912 -59.1231 -179.401 GPRESSURE: 3808000 530.04 -118.232 15.7051 -101.361 47.9589 -63.6001 15.8027 44.6178 -157.982 PRESSAVG: 3808000 11.9092 -47.8858 -6.19665 -47.8857 -31.3996 -27.8355 -6.19666 -27.8357 25.614 GPRESSAVG: 3808000 11.0133 -50.3005 -6.56827 -45.7311 -30.4689 -27.8683 -6.21365 -26.5 25.7385 TIMING: 3808000 CPU: 12033.1, 0.00315448/step Wall: 12033.1, 0.00315448/step, 1.04448 hours remaining, 236.921875 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: 3808000 3939.0109 20534.3630 14387.6375 254.4789 -203992.0099 3009.8622 0.0000 0.0000 52131.4440 -109735.2134 299.6001 -161866.6574 -109373.9922 298.5265 115.3649 140.0056 761334.0795 2.0412 2.0943 PRESSURE: 3808200 -145.657 23.9677 -34.157 23.9688 57.5022 -121.002 -34.1574 -121.003 39.492 GPRESSURE: 3808200 28.1881 -106.484 10.5306 49.8255 13.5578 -168.454 -134.832 -122.199 -10.8749 PRESSAVG: 3808200 42.1802 -43.4948 -12.4302 -43.4948 -32.4778 -41.4673 -12.4302 -41.4674 26.2671 GPRESSAVG: 3808200 43.5122 -40.2166 -10.1159 -45.0946 -33.5171 -42.5228 -14.9079 -42.6434 25.6061 TIMING: 3808200 CPU: 12033.8, 0.00316934/step Wall: 12033.8, 0.00316934/step, 1.04923 hours remaining, 236.921875 MB of memory in use. ENERGY: 3808200 4015.5289 20592.1332 14434.8430 252.2357 -203555.6518 2675.9243 0.0000 0.0000 51862.5345 -109722.4522 298.0547 -161584.9866 -109357.4049 298.5843 -16.2209 10.2904 762415.5037 11.9898 11.8671 LDB: ============= START OF LOAD BALANCING ============== 12046.3 LDB: ============== END OF LOAD BALANCING =============== 12046.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12046.3 LDB: ============= START OF LOAD BALANCING ============== 12046.6 LDB: Largest compute 7026 load 0.031893 is 16.3% of average load 0.195713 LDB: Average compute 0.004373 is 2.2% of average load 0.195713 LDB: TIME 12046.6 LOAD: AVG 0.195713 MAX 0.213512 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.211 MB LDB: TIME 12046.6 LOAD: AVG 0.195713 MAX 0.213512 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.414 MB LDB: TIME 12046.6 LOAD: AVG 0.195713 MAX 0.213512 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.414 MB LDB: ============== END OF LOAD BALANCING =============== 12046.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12046.6 PRESSURE: 3808400 -481.938 138.087 22.5058 138.086 112.541 145.781 22.5055 145.781 180.747 GPRESSURE: 3808400 -332.534 170.952 -125.315 102.162 79.109 44.1347 25.614 82.2268 165.774 PRESSAVG: 3808400 -13.8048 -7.22209 -16.3745 -7.22211 21.899 -37.6809 -16.3745 -37.6809 -1.86063 GPRESSAVG: 3808400 -15.8156 -7.92471 -18.81 -5.59717 22.168 -37.6715 -14.4628 -38.0759 0.341031 TIMING: 3808400 CPU: 12034.4, 0.00323084/step Wall: 12034.4, 0.00323084/step, 1.06941 hours remaining, 237.699219 MB of memory in use. ENERGY: 3808400 3995.1632 20447.3466 14401.5312 245.2501 -203212.6040 2628.4995 0.0000 0.0000 52110.0348 -109384.7787 299.4771 -161494.8135 -109027.6549 298.6742 -62.8835 -29.2170 762359.4584 2.0779 2.2311 PRESSURE: 3808600 -70.0489 43.6374 144.622 43.6374 -55.9335 -103.133 144.622 -103.132 305.215 GPRESSURE: 3808600 -47.1005 -39.7188 127.639 -4.32961 -13.8661 -114.13 146.552 -93.1258 331.226 PRESSAVG: 3808600 -2.8874 -3.80802 27.2001 -3.80801 46.0894 -38.6307 27.2002 -38.6307 -15.1381 GPRESSAVG: 3808600 -2.35897 -3.32916 28.1335 -3.07787 44.3281 -39.22 27.3559 -37.3982 -14.5841 TIMING: 3808600 CPU: 12035, 0.00318928/step Wall: 12035, 0.00318928/step, 1.05547 hours remaining, 237.902344 MB of memory in use. ENERGY: 3808600 4063.3867 20491.8809 14379.3516 254.8500 -203190.4827 2749.9371 0.0000 0.0000 51916.3910 -109334.6853 298.3642 -161251.0763 -108977.9674 299.0961 59.7443 90.0864 762530.5266 9.3546 9.1283 PRESSURE: 3808800 105.167 153.182 -432.135 153.183 66.6127 -185.168 -432.135 -185.168 299.33 GPRESSURE: 3808800 167.462 169.914 -368.096 43.5689 175.928 -130.485 -319.192 -295.253 210.673 PRESSAVG: 3808800 -0.429614 -40.5793 1.83935 -40.5793 18.5109 -6.08266 1.83937 -6.08276 22.9922 GPRESSAVG: 3808800 0.304268 -42.0635 0.965388 -39.058 21.5212 -5.65012 2.73646 -6.33172 20.2256 TIMING: 3808800 CPU: 12035.7, 0.0031917/step Wall: 12035.7, 0.0031917/step, 1.0561 hours remaining, 238.046875 MB of memory in use. ENERGY: 3808800 4035.3169 20600.7748 14388.2718 260.5298 -203622.7860 2756.4741 0.0000 0.0000 51940.4283 -109640.9903 298.5024 -161581.4186 -109284.2325 298.9865 157.0367 184.6876 760617.6721 13.6912 14.0170 PRESSURE: 3809000 -498.61 53.1303 -33.5259 53.1303 -378.94 198.053 -33.526 198.052 -64.9068 GPRESSURE: 3809000 -444.376 48.1125 -2.50884 -28.2249 -374.086 303.542 -212.476 151.862 -49.3741 PRESSAVG: 3809000 -33.9002 8.86871 -14.628 8.86876 -8.69957 -29.0088 -14.628 -29.0088 5.14986 GPRESSAVG: 3809000 -34.1644 9.16171 -14.4856 5.83374 -8.69575 -28.4559 -16.1759 -29.2804 5.31888 TIMING: 3809000 CPU: 12036.3, 0.00317736/step Wall: 12036.3, 0.00317736/step, 1.05118 hours remaining, 238.046875 MB of memory in use. ENERGY: 3809000 3984.5983 20532.0482 14346.4526 260.7150 -202891.2575 2302.4447 0.0000 0.0000 51837.7786 -109627.2200 297.9124 -161464.9986 -109266.0913 298.7180 -314.1524 -289.2787 763023.8293 -12.4833 -12.5138 PRESSURE: 3809200 -87.5012 -68.022 134.806 -68.0221 62.831 -78.2811 134.806 -78.2801 -23.0644 GPRESSURE: 3809200 -41.1593 -61.2305 84.6699 1.72111 69.6732 -112.108 133.227 -85.5147 -13.6197 PRESSAVG: 3809200 -26.8096 -0.984144 14.0793 -0.984188 -7.43798 -51.2772 14.0793 -51.2772 -11.6923 GPRESSAVG: 3809200 -27.9278 -2.0047 14.2703 -1.27832 -8.01746 -51.7199 13.6893 -50.9889 -9.67528 TIMING: 3809200 CPU: 12037, 0.0031805/step Wall: 12037, 0.0031805/step, 1.05204 hours remaining, 238.046875 MB of memory in use. ENERGY: 3809200 3995.1711 20578.9733 14383.7499 257.3481 -203457.9129 2765.2439 0.0000 0.0000 51873.7906 -109603.6360 298.1194 -161477.4266 -109244.8862 298.7942 -15.9115 4.9647 762432.6647 -15.3133 -15.2068 PRESSURE: 3809400 -162.902 -22.9799 46.2756 -22.9797 18.8081 -100.624 46.2753 -100.625 -188.329 GPRESSURE: 3809400 -152.707 42.6162 11.713 -156.74 78.4223 -68.5605 -124.744 -41.3916 -151.109 PRESSAVG: 3809400 14.5676 -64.9889 -26.2364 -64.9889 -16.0551 -7.22868 -26.2364 -7.22865 -12.2949 GPRESSAVG: 3809400 16.2039 -65.1026 -27.3297 -63.6255 -16.5298 -9.86763 -25.7983 -7.45875 -13.7085 TIMING: 3809400 CPU: 12037.6, 0.00318208/step Wall: 12037.6, 0.00318208/step, 1.05239 hours remaining, 238.046875 MB of memory in use. ENERGY: 3809400 3974.0696 20663.6287 14323.6002 220.8286 -202981.1291 2391.3417 0.0000 0.0000 51943.5722 -109464.0881 298.5204 -161407.6603 -109102.1975 298.5037 -110.8074 -75.1314 763840.0603 -4.5941 -4.6781 PRESSURE: 3809600 221.823 100.066 -45.3524 100.066 -259.312 -339.257 -45.3528 -339.256 -351.881 GPRESSURE: 3809600 145.966 99.5361 4.28096 42.9551 -237.965 -298.677 -47.4621 -345.13 -219.489 PRESSAVG: 3809600 49.5341 -23.1067 -76.8713 -23.1067 -40.4754 -54.7186 -76.8713 -54.7186 11.4794 GPRESSAVG: 3809600 49.2209 -21.5689 -76.3099 -21.6814 -40.3396 -51.6975 -76.6757 -56.0553 12.2118 TIMING: 3809600 CPU: 12038.2, 0.00317124/step Wall: 12038.2, 0.00317124/step, 1.04862 hours remaining, 238.046875 MB of memory in use. ENERGY: 3809600 4065.3757 20558.8948 14373.7197 245.3740 -203160.9614 2472.0171 0.0000 0.0000 51910.6397 -109534.9404 298.3312 -161445.5801 -109171.0825 298.5627 -129.7901 -103.8298 763340.4254 6.8460 7.0310 PRESSURE: 3809800 -118.708 -143.458 9.51071 -143.459 87.7528 -11.5774 9.51152 -11.5772 -388.124 GPRESSURE: 3809800 -120.33 -125.797 -17.6441 -58.3567 161.821 30.0737 87.8035 -60.3444 -371 PRESSAVG: 3809800 3.26625 30.8129 15.6326 30.8128 27.637 28.2019 15.6327 28.202 -2.43446 GPRESSAVG: 3809800 2.72777 31.5718 16.4814 30.0152 27.5705 27.9422 15.8733 28.2898 -1.57772 TIMING: 3809800 CPU: 12038.9, 0.00316647/step Wall: 12038.9, 0.00316647/step, 1.04687 hours remaining, 238.046875 MB of memory in use. ENERGY: 3809800 4036.5853 20649.0322 14357.9158 248.2791 -203416.3983 2636.7940 0.0000 0.0000 51809.1675 -109678.6245 297.7480 -161487.7920 -109320.1758 298.6214 -139.6932 -109.8362 761978.0328 9.4896 9.5735 PRESSURE: 3810000 48.3182 196.641 219.723 196.641 157.321 -48.6527 219.723 -48.6521 271.655 GPRESSURE: 3810000 182.843 121.135 245.437 128.121 179.193 10.0416 175.612 -83.4345 189.635 PRESSAVG: 3810000 46.2645 4.24941 7.41403 4.24937 -65.2408 -42.6821 7.41402 -42.682 -2.92777 GPRESSAVG: 3810000 47.9783 2.77026 4.51228 4.07764 -64.0408 -42.4123 6.99886 -41.2305 -5.38746 TIMING: 3810000 CPU: 12039.5, 0.00315698/step Wall: 12039.5, 0.00315698/step, 1.04356 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: 3810000 3993.5372 20389.0648 14348.5976 239.9335 -203520.7844 2802.7833 0.0000 0.0000 51913.4497 -109833.4183 298.3473 -161746.8680 -109470.5779 298.3763 159.0981 183.8903 761619.9696 -7.3014 -7.1500 PRESSURE: 3810200 252.137 223.729 -83.5939 223.73 150.665 204.684 -83.5939 204.684 351.133 GPRESSURE: 3810200 255.52 49.489 -68.4156 97.2278 251.359 209.073 -111.453 93.495 323.365 PRESSAVG: 3810200 -11.2567 10.0619 -45.5228 10.0618 47.598 -46.3453 -45.5228 -46.3453 1.43186 GPRESSAVG: 3810200 -11.5942 9.21406 -42.6617 9.4007 46.1181 -47.698 -47.5676 -45.7595 3.38235 TIMING: 3810200 CPU: 12040.1, 0.00315014/step Wall: 12040.1, 0.00315014/step, 1.04112 hours remaining, 238.046875 MB of memory in use. ENERGY: 3810200 3863.6135 20565.5506 14385.7266 260.5057 -203197.5937 2596.5444 0.0000 0.0000 51537.0996 -109988.5534 296.1844 -161525.6530 -109630.5332 297.8595 251.3118 276.7480 761995.3974 12.5911 12.6354 PRESSURE: 3810400 -29.4774 -54.3352 -121.151 -54.3351 112.789 -12.7292 -121.15 -12.7296 179.858 GPRESSURE: 3810400 -7.8545 -21.5617 -203.657 -93.1852 197.095 28.4392 38.8585 -59.6718 162.864 PRESSAVG: 3810400 2.83138 -19.948 -11.5184 -19.9481 13.1199 94.8394 -11.5185 94.8394 3.70299 GPRESSAVG: 3810400 2.79688 -18.5925 -12.1926 -19.6177 13.5183 95.2223 -7.32078 94.8303 3.32945 TIMING: 3810400 CPU: 12040.8, 0.00317336/step Wall: 12040.8, 0.00317336/step, 1.04862 hours remaining, 238.046875 MB of memory in use. ENERGY: 3810400 3971.0723 20460.7718 14428.5598 245.5527 -203981.4985 2830.4038 0.0000 0.0000 51967.8972 -110077.2410 298.6602 -162045.1382 -109712.4548 298.1745 87.7231 117.3683 760635.2271 6.5514 6.5482 PRESSURE: 3810600 92.2344 -129.555 189.356 -129.554 -206.363 -251.902 189.356 -251.902 28.2641 GPRESSURE: 3810600 124.253 -149.358 219.217 -169.103 -52.9614 -324.631 25.5812 -110.88 -76.1107 PRESSAVG: 3810600 4.01838 -42.6493 -36.7637 -42.6492 22.0348 -14.3672 -36.7637 -14.3671 -3.4802 GPRESSAVG: 3810600 4.39994 -40.4797 -35.1027 -43.2062 22.4518 -14.5064 -40.2118 -14.3608 -4.59163 TIMING: 3810600 CPU: 12041.4, 0.00316276/step Wall: 12041.4, 0.00316276/step, 1.04494 hours remaining, 238.117188 MB of memory in use. ENERGY: 3810600 3924.9931 20535.1418 14380.2201 237.0648 -203843.5531 2851.3325 0.0000 0.0000 52020.4517 -109894.3492 298.9623 -161914.8009 -109531.9576 298.1920 -28.6215 -1.6063 762027.0001 7.5243 7.4200 PRESSURE: 3810800 -242.05 -45.2372 -91.2041 -45.2364 158.265 24.0319 -91.2036 24.032 -87.4168 GPRESSURE: 3810800 -168.036 31.3415 -128.755 -116.738 167.989 -19.1905 -28.2767 69.3354 -85.4007 PRESSAVG: 3810800 -6.12353 -85.8573 28.531 -85.8573 3.49458 -53.8814 28.531 -53.8814 -6.5328 GPRESSAVG: 3810800 -5.91856 -87.8798 27.4711 -84.817 3.12273 -54.0866 29.8708 -52.5608 -6.57613 TIMING: 3810800 CPU: 12042, 0.00315271/step Wall: 12042, 0.00315271/step, 1.04144 hours remaining, 238.117188 MB of memory in use. ENERGY: 3810800 3914.3372 20288.8740 14374.6518 252.2486 -203280.2898 2494.1585 0.0000 0.0000 52123.1199 -109832.8998 299.5523 -161956.0197 -109483.2072 298.5391 -57.0675 -28.4825 763046.7402 -3.0539 -3.1240 PRESSURE: 3811000 -245.124 48.3826 187.273 48.3817 85.938 54.3053 187.273 54.3047 -56.0561 GPRESSURE: 3811000 -235.705 31.5825 140.768 39.3854 133.324 55.1031 183.818 64.5728 -19.4187 PRESSAVG: 3811000 10.6952 -36.2514 16.4423 -36.2514 -24.587 24.167 16.4423 24.1671 -4.32239 GPRESSAVG: 3811000 9.4183 -38.183 16.5166 -36.3414 -24.6086 23.9242 16.3658 23.1621 -3.16278 TIMING: 3811000 CPU: 12042.7, 0.00317028/step Wall: 12042.7, 0.00317028/step, 1.04707 hours remaining, 238.117188 MB of memory in use. ENERGY: 3811000 3932.3301 20571.7795 14453.2297 222.8327 -203322.8077 2648.3368 0.0000 0.0000 51681.8972 -109812.4019 297.0166 -161494.2991 -109455.1176 298.5291 -71.7475 -40.5999 763595.7180 -6.0714 -6.1177 PRESSURE: 3811200 -338.921 -92.6107 142.348 -92.6109 -125.722 -28.474 142.348 -28.4736 -81.4226 GPRESSURE: 3811200 -312.007 -82.7882 165.588 -268.552 -112.689 4.95074 121.665 23.1961 -33.1079 PRESSAVG: 3811200 21.547 -53.1583 7.49946 -53.1582 3.9059 -12.0753 7.4995 -12.0752 -21.1278 GPRESSAVG: 3811200 22.4623 -51.5908 7.50507 -53.7221 2.78109 -9.92364 7.27457 -13.6901 -20.7092 TIMING: 3811200 CPU: 12043.3, 0.00317038/step Wall: 12043.3, 0.00317038/step, 1.04693 hours remaining, 238.105469 MB of memory in use. ENERGY: 3811200 4013.9812 20432.0639 14407.4633 243.4710 -202934.4984 2313.6824 0.0000 0.0000 51934.9666 -109588.8700 298.4710 -161523.8367 -109223.5795 298.7706 -182.0218 -152.6013 762249.2358 1.4417 1.5114 PRESSURE: 3811400 -179.426 -119.168 4.14083 -119.167 107.43 10.0958 4.1403 10.0964 -140.216 GPRESSURE: 3811400 -216.008 -130.151 -118.005 -14.2615 144.993 34.7242 75.2403 -51.0835 -71.5255 PRESSAVG: 3811400 31.6103 -47.0669 34.1157 -47.0669 -35.2757 16.3713 34.1157 16.3714 31.3394 GPRESSAVG: 3811400 32.1512 -47.5099 31.9081 -46.8852 -34.2513 16.0376 35.9191 15.5278 30.1081 TIMING: 3811400 CPU: 12043.9, 0.0031508/step Wall: 12043.9, 0.0031508/step, 1.04029 hours remaining, 238.117188 MB of memory in use. ENERGY: 3811400 3973.8668 20478.1113 14484.4560 237.1978 -203526.0415 2572.1966 0.0000 0.0000 52016.2801 -109763.9328 298.9383 -161780.2129 -109404.6568 298.3019 -70.7375 -47.5134 761221.4904 9.2247 9.3360 PRESSURE: 3811600 -369.404 -114.424 -5.04986 -114.423 17.9979 -211.782 -5.05112 -211.782 251.075 GPRESSURE: 3811600 -373.591 -47.2732 58.3335 -66.1978 62.5613 -216.225 -86.8558 -55.2428 298.501 PRESSAVG: 3811600 14.1786 -17.9067 25.511 -17.9067 -6.067 -25.0558 25.511 -25.0559 -12.1506 GPRESSAVG: 3811600 13.4155 -17.393 28.4894 -19.4092 -6.3839 -26.3728 22.7327 -23.5043 -11.6207 TIMING: 3811600 CPU: 12044.5, 0.00314623/step Wall: 12044.5, 0.00314623/step, 1.03861 hours remaining, 238.117188 MB of memory in use. ENERGY: 3811600 3981.5243 20637.3890 14362.7639 248.3980 -203078.8507 2258.0391 0.0000 0.0000 51972.0829 -109618.6534 298.6843 -161590.7363 -109261.3144 298.8501 -33.4439 -4.1765 760919.6497 -1.3463 -1.5297 PRESSURE: 3811800 -241.443 -322.354 91.9631 -322.355 -144.742 63.0667 91.9635 63.0666 119.053 GPRESSURE: 3811800 -205.667 -278.773 52.6448 -344.431 -92.6134 83.0255 131.567 65.0727 129.526 PRESSAVG: 3811800 9.91218 -43.2798 -5.34723 -43.2798 -6.50136 -48.973 -5.34725 -48.973 1.39163 GPRESSAVG: 3811800 10.0908 -43.0919 -4.33658 -42.0096 -6.574 -49.1888 -3.98287 -47.553 1.81478 TIMING: 3811800 CPU: 12045.2, 0.00314897/step Wall: 12045.2, 0.00314897/step, 1.03933 hours remaining, 238.117188 MB of memory in use. ENERGY: 3811800 3960.3891 20531.9500 14434.2938 257.6061 -203559.5991 2659.9280 0.0000 0.0000 51936.5595 -109778.8725 298.4801 -161715.4321 -109416.5093 299.1247 -89.0441 -56.2515 760855.0417 1.6008 1.7772 PRESSURE: 3812000 161.934 -26.4586 295.969 -26.4583 -43.2262 10.5911 295.969 10.5917 17.0773 GPRESSURE: 3812000 141.467 -36.1894 305.848 -93.8747 54.4062 -35.9028 176.462 -74.2639 35.0499 PRESSAVG: 3812000 -48.947 -44.5017 -14.8974 -44.5018 39.8221 16.3159 -14.8974 16.3159 -3.51089 GPRESSAVG: 3812000 -48.7333 -43.1121 -16.2061 -43.9701 41.1439 15.8271 -15.5177 15.685 -4.88054 TIMING: 3812000 CPU: 12045.8, 0.003157/step Wall: 12045.8, 0.003157/step, 1.04181 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: 3812000 4026.8009 20602.4225 14371.1776 252.4927 -203310.8010 2739.9343 0.0000 0.0000 52023.3092 -109294.6637 298.9787 -161317.9729 -108947.0179 299.5580 45.2618 76.9744 761442.9023 -4.2119 -4.1566 PRESSURE: 3812200 296.319 -97.1248 -83.0834 -97.1255 -179.717 218.472 -83.0835 218.472 186.824 GPRESSURE: 3812200 246.17 -6.10646 -40.2831 -106.918 -67.902 134.609 -0.234789 243.871 211.354 PRESSAVG: 3812200 -21.5219 -91.5903 35.2334 -91.5903 9.35837 -37.9594 35.2335 -37.9594 4.27863 GPRESSAVG: 3812200 -21.8659 -93.173 34.4202 -92.473 9.49665 -37.3079 35.8101 -37.4154 4.34175 TIMING: 3812200 CPU: 12046.4, 0.00313833/step Wall: 12046.4, 0.00313833/step, 1.03548 hours remaining, 238.117188 MB of memory in use. ENERGY: 3812200 4003.1630 20600.5299 14450.7165 248.1375 -203164.1312 2527.8300 0.0000 0.0000 52012.7992 -109320.9551 298.9183 -161333.7543 -108953.9777 300.0626 101.1421 129.8742 761970.8186 -2.6283 -2.6758 LDB: ============= START OF LOAD BALANCING ============== 12059 LDB: ============== END OF LOAD BALANCING =============== 12059 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12059 LDB: ============= START OF LOAD BALANCING ============== 12059.3 LDB: Largest compute 7026 load 0.034649 is 17.7% of average load 0.195610 LDB: Average compute 0.004375 is 2.2% of average load 0.195610 LDB: TIME 12059.3 LOAD: AVG 0.19561 MAX 0.21533 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.594 MB LDB: TIME 12059.3 LOAD: AVG 0.19561 MAX 0.21533 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.777 MB LDB: TIME 12059.3 LOAD: AVG 0.19561 MAX 0.21533 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.777 MB LDB: ============== END OF LOAD BALANCING =============== 12059.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12059.3 PRESSURE: 3812400 -90.8303 -115.987 52.1411 -115.986 117.974 -9.16891 52.1407 -9.16858 189.864 GPRESSURE: 3812400 -22.1275 21.124 68.2004 -78.7207 103.966 2.78587 -99.4684 33.8542 214.949 PRESSAVG: 3812400 -9.07059 18.8653 -12.1091 18.8653 36.6075 42.4858 -12.1091 42.4859 39.1825 GPRESSAVG: 3812400 -8.9891 19.3998 -11.5707 18.0017 35.0284 42.8827 -13.0067 41.9915 40.8627 TIMING: 3812400 CPU: 12047.1, 0.00323099/step Wall: 12047.1, 0.00323099/step, 1.06587 hours remaining, 234.742188 MB of memory in use. ENERGY: 3812400 4014.6026 20577.9258 14408.4405 250.7051 -203727.1138 2878.1296 0.0000 0.0000 52094.3213 -109502.9888 299.3868 -161597.3102 -109133.6290 299.4118 72.3358 98.9290 760848.3349 22.2398 22.3006 PRESSURE: 3812600 -12.4955 -207.437 3.8837 -207.437 -114.84 142.375 3.8841 142.375 -245.95 GPRESSURE: 3812600 54.0653 -75.1569 -27.4929 -142.26 -128.53 52.662 -30.5819 175.363 -220.949 PRESSAVG: 3812600 -15.0032 -40.9339 28.0082 -40.934 -27.4512 -34.709 28.0082 -34.7089 -5.37639 GPRESSAVG: 3812600 -14.1681 -41.6132 27.976 -38.8862 -27.4127 -35.2093 27.6555 -34.123 -6.08506 TIMING: 3812600 CPU: 12047.7, 0.00314969/step Wall: 12047.7, 0.00314969/step, 1.03887 hours remaining, 234.964844 MB of memory in use. ENERGY: 3812600 3999.2645 20596.9733 14453.7674 241.4604 -203769.7776 2646.3014 0.0000 0.0000 52201.3501 -109630.6606 300.0019 -161832.0107 -109263.1919 299.9508 -124.4283 -98.4711 760619.1868 -15.9436 -15.8886 PRESSURE: 3812800 -40.5392 -144.726 16.8039 -144.725 -72.2842 225.228 16.8038 225.228 -273.182 GPRESSURE: 3812800 71.9093 -99.716 -5.66504 -149.94 -77.7549 149.225 20.4335 116.322 -314.136 PRESSAVG: 3812800 31.6694 -45.8646 21.6377 -45.8646 -17.9943 30.2427 21.6377 30.2428 -0.256435 GPRESSAVG: 3812800 31.406 -45.3228 19.9223 -47.3247 -17.8304 31.5969 21.3352 28.515 0.204387 TIMING: 3812800 CPU: 12048.3, 0.00314662/step Wall: 12048.3, 0.00314662/step, 1.03768 hours remaining, 235.222656 MB of memory in use. ENERGY: 3812800 4002.2713 20578.1066 14406.0826 246.9125 -203512.9159 2631.0173 0.0000 0.0000 51968.2354 -109680.2904 298.6622 -161648.5258 -109321.2658 299.0068 -128.6684 -106.6605 762211.3593 4.4729 4.5933 PRESSURE: 3813000 215.682 -87.6395 97.8272 -87.6393 145.38 161.693 97.8271 161.693 -234.338 GPRESSURE: 3813000 172.436 -46.6146 197.851 -117.065 198.132 75.7599 122.044 95.909 -149.986 PRESSAVG: 3813000 21.5407 10.7465 11.616 10.7465 -0.371004 40.5345 11.6159 40.5345 9.03555 GPRESSAVG: 3813000 21.3556 10.9658 13.219 9.86597 -0.785695 40.1376 12.198 41.6531 9.7209 TIMING: 3813000 CPU: 12049, 0.0031472/step Wall: 12049, 0.0031472/step, 1.0377 hours remaining, 235.222656 MB of memory in use. ENERGY: 3813000 3986.8570 20479.9755 14525.1428 233.2009 -203528.7686 2657.9631 0.0000 0.0000 52030.9688 -109614.6604 299.0227 -161645.6292 -109250.6457 298.8862 42.2415 73.5272 761687.8214 10.0684 10.0969 PRESSURE: 3813200 -114.334 168.876 175.736 168.876 419.693 -54.8144 175.736 -54.8133 -141.726 GPRESSURE: 3813200 0.665196 181.639 242.096 51.4435 418.364 -98.7222 188.336 -72.0684 -167.981 PRESSAVG: 3813200 -11.9452 -31.526 59.2846 -31.526 35.0038 12.8757 59.2846 12.8757 10.4583 GPRESSAVG: 3813200 -12.9886 -30.7053 58.5921 -32.6044 37.4867 12.2666 60.7897 10.8175 8.66619 TIMING: 3813200 CPU: 12049.6, 0.00314689/step Wall: 12049.6, 0.00314689/step, 1.03742 hours remaining, 235.222656 MB of memory in use. ENERGY: 3813200 4002.2446 20674.9665 14381.0509 267.0111 -203476.2556 2709.1892 0.0000 0.0000 52144.5022 -109297.2911 299.6752 -161441.7933 -108954.8790 299.0608 54.5443 83.6830 760764.1711 11.1723 11.0548 PRESSURE: 3813400 -22.9614 159.489 -149.18 159.489 -106.875 -136.363 -149.18 -136.364 254.427 GPRESSURE: 3813400 15.6539 59.5634 -168.468 204.797 -64.9162 -123.418 -178.338 -39.6999 258.388 PRESSAVG: 3813400 -14.1499 -32.5325 -38.879 -32.5325 -4.96414 -30.9485 -38.879 -30.9484 13.8066 GPRESSAVG: 3813400 -13.4897 -35.1538 -38.0512 -28.9196 -5.14948 -30.7512 -41.8232 -29.9774 13.5774 TIMING: 3813400 CPU: 12050.2, 0.00314307/step Wall: 12050.2, 0.00314307/step, 1.03599 hours remaining, 235.222656 MB of memory in use. ENERGY: 3813400 4020.1106 20619.7095 14396.1326 239.2271 -203234.7821 2522.5599 0.0000 0.0000 52054.1234 -109382.9189 299.1558 -161437.0423 -109025.8131 299.3169 41.5302 69.7085 761944.3768 -1.7691 -1.6873 PRESSURE: 3813600 -68.8369 -222.722 52.2482 -222.722 148.33 -105.389 52.2491 -105.388 116.684 GPRESSURE: 3813600 31.4686 -204.416 8.23691 -97.7838 95.8953 -147.361 56.6676 -7.89521 155.814 PRESSAVG: 3813600 36.3363 -0.0430274 5.20634 -0.0430587 -26.8986 -46.4767 5.2064 -46.4767 -3.1944 GPRESSAVG: 3813600 36.6484 2.62574 4.6026 -2.48977 -28.1717 -46.5053 5.20474 -46.3358 -1.97785 TIMING: 3813600 CPU: 12050.9, 0.00314122/step Wall: 12050.9, 0.00314122/step, 1.03521 hours remaining, 235.222656 MB of memory in use. ENERGY: 3813600 4018.7590 20506.0106 14397.2087 246.0207 -203687.0369 2911.0079 0.0000 0.0000 52189.5313 -109418.4986 299.9340 -161608.0299 -109054.8051 299.1676 65.3923 94.3925 762222.6333 2.0811 2.1663 PRESSURE: 3813800 -276.477 -179.86 56.3384 -179.86 -192.56 -74.0081 56.3382 -74.0081 -49.3423 GPRESSURE: 3813800 -214.905 -169.437 -13.0584 -237.217 -224.237 -115.371 113.378 -115.865 13.9478 PRESSAVG: 3813800 23.0197 -37.8646 52.9115 -37.8646 -6.02808 -47.5455 52.9114 -47.5455 17.6392 GPRESSAVG: 3813800 23.158 -39.666 53.528 -38.2815 -5.79076 -46.6611 53.7148 -47.0391 17.3749 TIMING: 3813800 CPU: 12051.5, 0.00314687/step Wall: 12051.5, 0.00314687/step, 1.03689 hours remaining, 235.222656 MB of memory in use. ENERGY: 3813800 3948.4569 20490.1028 14461.2726 257.1366 -203289.2841 2562.7160 0.0000 0.0000 52155.2412 -109414.3580 299.7369 -161569.5992 -109041.9727 299.4454 -172.7933 -141.7314 762501.5216 11.5436 11.5807 PRESSURE: 3814000 -178.71 92.3979 -164.881 92.3977 -97.6972 183.943 -164.881 183.942 201.425 GPRESSURE: 3814000 -26.4048 7.43822 -189.512 269.066 -123.22 189.395 -193.606 114.057 158.374 PRESSAVG: 3814000 -55.2039 -20.064 -4.6676 -20.064 24.6755 -18.1973 -4.66761 -18.1974 20.343 GPRESSAVG: 3814000 -55.4518 -18.0318 -6.25984 -20.8865 25.1456 -17.3521 -2.94163 -21.5311 19.8337 TIMING: 3814000 CPU: 12052.1, 0.00314449/step Wall: 12052.1, 0.00314449/step, 1.03594 hours remaining, 235.222656 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: 3814000 3989.0060 20707.4919 14371.6351 243.6783 -203816.5812 2918.1503 0.0000 0.0000 52339.5603 -109247.0593 300.7962 -161586.6196 -108886.2232 299.8800 -24.9940 2.9162 761604.0291 -3.3951 -3.4908 PRESSURE: 3814200 -96.5889 -119.482 133.912 -119.483 138.709 -176.42 133.912 -176.421 45.2957 GPRESSURE: 3814200 76.4846 -84.2317 227.272 -150.988 -28.4451 -193.628 14.4103 62.1728 126.197 PRESSAVG: 3814200 79.4488 -76.6389 2.28708 -76.6389 -63.2369 37.9834 2.28707 37.9834 -4.52508 GPRESSAVG: 3814200 79.6124 -75.8722 2.58691 -75.0234 -63.2951 35.9748 1.07042 42.4934 -4.28473 TIMING: 3814200 CPU: 12052.7, 0.00315736/step Wall: 12052.7, 0.00315736/step, 1.04 hours remaining, 235.222656 MB of memory in use. ENERGY: 3814200 4154.3619 20614.8953 14504.6793 239.0596 -203464.5831 2851.4870 0.0000 0.0000 52120.9859 -108979.1142 299.5400 -161100.1001 -108609.0433 300.2560 29.1385 58.0790 761397.2348 3.8956 4.0109 PRESSURE: 3814400 117.931 -36.5223 9.41747 -36.5226 211.162 -36.5261 9.41738 -36.527 226.505 GPRESSURE: 3814400 127.24 25.6283 29.2072 -5.62737 264.867 -35.0389 65.4115 -109.974 242.701 PRESSAVG: 3814400 14.2584 -27.0658 7.87707 -27.0657 4.18279 -33.5078 7.87707 -33.5079 1.10701 GPRESSAVG: 3814400 13.1763 -29.6972 8.55471 -25.1049 4.26167 -33.8045 9.06235 -33.1039 1.96658 TIMING: 3814400 CPU: 12053.4, 0.00317073/step Wall: 12053.4, 0.00317073/step, 1.04423 hours remaining, 235.222656 MB of memory in use. ENERGY: 3814400 3947.1380 20574.4651 14584.8688 236.5518 -203518.9467 2731.7331 0.0000 0.0000 52219.8643 -109224.3257 300.1083 -161444.1900 -108858.3532 299.9238 185.1995 211.6026 760364.7681 6.5161 6.4682 PRESSURE: 3814600 -38.9949 260.702 86.4501 260.701 -166.994 -16.6605 86.4498 -16.66 395.21 GPRESSURE: 3814600 74.0786 151.452 72.8193 162.228 -112.395 5.62167 149.65 102.303 306.311 PRESSAVG: 3814600 -12.2147 -6.74673 38.6149 -6.74677 -11.7384 -66.1605 38.6148 -66.1606 7.39137 GPRESSAVG: 3814600 -11.8679 -6.61042 37.479 -7.28335 -10.8742 -65.3205 38.7564 -68.8381 6.06338 TIMING: 3814600 CPU: 12054, 0.00315136/step Wall: 12054, 0.00315136/step, 1.03767 hours remaining, 235.222656 MB of memory in use. ENERGY: 3814600 3973.8035 20484.0347 14480.8618 253.9077 -203606.8989 2674.1867 0.0000 0.0000 52513.1710 -109226.9337 301.7939 -161740.1047 -108867.5471 299.5513 63.0737 89.3317 762014.3509 -5.5206 -5.5596 PRESSURE: 3814800 43.7169 -116.38 -152.183 -116.38 -23.5438 157.095 -152.183 157.096 -217.38 GPRESSURE: 3814800 152.071 -108.438 -97.3266 -261.907 -47.6255 154.951 -104.766 218.868 -213.019 PRESSAVG: 3814800 16.1149 11.7048 8.07608 11.7047 -15.9565 3.52173 8.07603 3.52169 20.2956 GPRESSAVG: 3814800 17.0526 11.4822 7.39742 10.1687 -17.3384 3.81485 7.43533 5.83561 20.6814 TIMING: 3814800 CPU: 12054.6, 0.00313805/step Wall: 12054.6, 0.00313805/step, 1.03312 hours remaining, 235.222656 MB of memory in use. ENERGY: 3814800 4004.8611 20591.8870 14480.6976 240.7927 -203211.6942 2583.3002 0.0000 0.0000 52194.5438 -109115.6117 299.9628 -161310.1555 -108747.4441 299.7640 -65.7357 -36.1914 760947.0803 6.8180 6.7985 PRESSURE: 3815000 -163.172 68.7668 102.45 68.7669 -402.207 -166.477 102.451 -166.476 -207.017 GPRESSURE: 3815000 -35.9396 -92.8194 151.381 10.9505 -388.134 -184.383 154.09 -86.0537 -267.566 PRESSAVG: 3815000 68.8474 -17.5263 2.99942 -17.5264 -18.3657 2.90356 2.99946 2.9035 7.06158 GPRESSAVG: 3815000 68.4104 -16.5522 3.58599 -17.5913 -17.4469 2.77621 2.57341 1.08425 6.48364 TIMING: 3815000 CPU: 12055.3, 0.0031673/step Wall: 12055.3, 0.0031673/step, 1.04257 hours remaining, 235.222656 MB of memory in use. ENERGY: 3815000 4007.1411 20603.0975 14487.7700 225.7216 -202798.1864 2402.9073 0.0000 0.0000 52182.2446 -108889.3043 299.8921 -161071.5489 -108525.7355 300.4149 -257.4653 -230.5463 762211.7473 19.1811 19.1490 PRESSURE: 3815200 -5.82317 39.1935 280.253 39.1939 -25.2861 -102.608 280.253 -102.607 -407.932 GPRESSURE: 3815200 -0.232395 30.7652 289.805 96.5046 22.8094 -67.5444 137.272 -242.091 -380.806 PRESSAVG: 3815200 45.8503 -31.5143 3.02102 -31.5143 -46.8521 2.59704 3.02108 2.59701 -1.04214 GPRESSAVG: 3815200 46.0125 -32.514 4.20029 -29.2179 -47.3384 2.64163 3.52876 1.90414 -0.997965 TIMING: 3815200 CPU: 12055.9, 0.00316906/step Wall: 12055.9, 0.00316906/step, 1.04297 hours remaining, 235.222656 MB of memory in use. ENERGY: 3815200 3993.0409 20500.1175 14450.2267 236.5905 -202935.7959 2486.6159 0.0000 0.0000 52225.3860 -109043.8183 300.1400 -161269.2044 -108670.1058 300.2092 -146.3471 -119.4096 761929.1389 -0.6813 -0.7746 PRESSURE: 3815400 273.543 -22.1193 -218.977 -22.119 33.8142 -198.145 -218.977 -198.145 73.742 GPRESSURE: 3815400 338.518 -2.66856 -182.168 -113.385 -54.7456 -248.16 -115.698 -63.0511 189.595 PRESSAVG: 3815400 53.6395 -50.1831 -19.67 -50.1831 -54.6592 -5.70706 -19.67 -5.7071 2.74679 GPRESSAVG: 3815400 52.8154 -47.9815 -20.541 -51.1264 -54.7859 -7.47876 -22.5725 -2.58761 3.33743 TIMING: 3815400 CPU: 12056.5, 0.00316502/step Wall: 12056.5, 0.00316502/step, 1.04147 hours remaining, 235.222656 MB of memory in use. ENERGY: 3815400 4039.2216 20689.2383 14449.3732 247.3499 -203154.9617 2772.8289 0.0000 0.0000 51936.4184 -109020.5314 298.4793 -160956.9498 -108672.4588 300.2197 127.0331 157.7890 762131.1491 0.5757 0.4556 PRESSURE: 3815600 97.5981 -214.784 29.0758 -214.784 -229.622 173.627 29.0757 173.627 42.3409 GPRESSURE: 3815600 71.2966 -146.037 14.0769 -226.4 -100.633 69.1965 31.4548 211.919 19.6383 PRESSAVG: 3815600 64.1775 -78.4849 -12.1313 -78.4849 -65.7447 29.1823 -12.1314 29.1823 9.49477 GPRESSAVG: 3815600 64.4297 -77.7381 -12.0118 -78.9093 -65.0588 31.1371 -11.4707 27.8046 8.88945 TIMING: 3815600 CPU: 12057.2, 0.00316196/step Wall: 12057.2, 0.00316196/step, 1.04028 hours remaining, 235.222656 MB of memory in use. ENERGY: 3815600 4069.8858 20441.2826 14421.0769 247.0057 -203148.7395 2674.8345 0.0000 0.0000 52301.6366 -108993.0174 300.5782 -161294.6540 -108628.6888 300.2959 -29.8943 -3.2328 762092.3591 2.6425 2.7535 PRESSURE: 3815800 -285.272 -128.2 75.4997 -128.199 -33.669 -137.432 75.5001 -137.431 -51.7282 GPRESSURE: 3815800 -244.806 -33.3509 13.4675 -109.067 -34.1012 -162.998 106.904 -170.249 -17.985 PRESSAVG: 3815800 -32.9982 -49.4103 7.67776 -49.4102 -1.23243 17.5174 7.67774 17.5175 -9.63386 GPRESSAVG: 3815800 -33.208 -50.2298 8.28264 -50.8024 -1.03731 16.7154 9.91289 16.994 -9.5452 TIMING: 3815800 CPU: 12057.8, 0.00317587/step Wall: 12057.8, 0.00317587/step, 1.04468 hours remaining, 235.222656 MB of memory in use. ENERGY: 3815800 3952.0107 20570.2762 14397.4221 234.9720 -202776.1495 2303.2595 0.0000 0.0000 52212.4156 -109105.7934 300.0655 -161318.2090 -108737.0051 300.6005 -123.5565 -98.9640 762682.6277 -14.6215 -14.5968 PRESSURE: 3816000 357.964 -69.0031 -117.027 -69.0017 25.1906 -192.615 -117.026 -192.615 92.9166 GPRESSURE: 3816000 323.435 -4.1709 -133.697 -14.7986 194.043 -236.9 -119.315 -156.892 38.6071 PRESSAVG: 3816000 -12.1207 -9.9489 48.1263 -9.94888 6.55381 -38.3037 48.1262 -38.3037 -2.25831 GPRESSAVG: 3816000 -10.4064 -10.2488 45.9772 -6.46659 5.47051 -37.4911 47.1342 -38.4125 -2.73316 TIMING: 3816000 CPU: 12058.4, 0.00313638/step Wall: 12058.4, 0.00313638/step, 1.03152 hours remaining, 235.222656 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: 3816000 4010.1101 20568.1957 14432.8280 261.5053 -203411.8505 2696.5342 0.0000 0.0000 52123.8594 -109318.8178 299.5565 -161442.6772 -108950.9217 299.9220 158.6904 185.3617 761086.7879 -2.6084 -2.5563 PRESSURE: 3816200 85.4044 -45.2244 -224.52 -45.2231 50.4688 -204.895 -224.521 -204.895 -232.167 GPRESSURE: 3816200 144.952 -40.2529 -192.419 -85.2503 16.9885 -117.333 -190.664 -291.378 -146.762 PRESSAVG: 3816200 -6.44531 -53.6437 -3.72125 -53.6438 -18.0813 -42.1984 -3.72126 -42.1984 30.5861 GPRESSAVG: 3816200 -6.76621 -53.628 -2.74684 -53.3917 -17.632 -41.2531 -4.02038 -43.4673 31.0129 TIMING: 3816200 CPU: 12059.1, 0.00314903/step Wall: 12059.1, 0.00314903/step, 1.0355 hours remaining, 235.222656 MB of memory in use. ENERGY: 3816200 4015.2562 20429.7884 14389.6274 257.7181 -203603.3371 3087.6279 0.0000 0.0000 52178.7883 -109244.5308 299.8722 -161423.3191 -108876.7401 299.5391 -32.0980 5.0596 760369.1374 2.0198 2.2049 LDB: ============= START OF LOAD BALANCING ============== 12071.6 LDB: ============== END OF LOAD BALANCING =============== 12071.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12071.6 LDB: ============= START OF LOAD BALANCING ============== 12071.9 LDB: Largest compute 7026 load 0.034307 is 17.5% of average load 0.195598 LDB: Average compute 0.004382 is 2.2% of average load 0.195598 LDB: TIME 12071.9 LOAD: AVG 0.195598 MAX 0.217239 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.582 MB LDB: TIME 12071.9 LOAD: AVG 0.195598 MAX 0.217239 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: TIME 12071.9 LOAD: AVG 0.195598 MAX 0.217239 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.582 MB LDB: ============== END OF LOAD BALANCING =============== 12071.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12071.9 PRESSURE: 3816400 40.9053 103.373 -78.6631 103.374 8.25925 175.337 -78.6623 175.336 12.8437 GPRESSURE: 3816400 80.5161 71.1627 -56.9465 151.277 15.6614 239.116 -24.7985 141.567 32.5518 PRESSAVG: 3816400 34.066 -1.23203 -19.1433 -1.23199 -5.9912 1.56876 -19.1432 1.56877 -17.5365 GPRESSAVG: 3816400 32.9195 -0.251516 -18.6875 -2.26089 -5.61689 1.07291 -20.4583 3.39619 -17.1636 TIMING: 3816400 CPU: 12059.7, 0.00323238/step Wall: 12059.7, 0.00323238/step, 1.06273 hours remaining, 236.097656 MB of memory in use. ENERGY: 3816400 3972.3901 20464.2002 14422.2984 237.4029 -203249.0076 2628.3764 0.0000 0.0000 52071.1743 -109453.1654 299.2538 -161524.3397 -109081.1793 299.3058 20.6694 42.9098 763083.3902 3.5128 3.3797 PRESSURE: 3816600 -41.7866 15.4745 -53.8669 15.4748 -67.268 -75.9124 -53.8661 -75.9116 -168.339 GPRESSURE: 3816600 5.86214 150.898 4.08288 -84.436 16.1628 -158.026 -151.753 -23.7411 -212.062 PRESSAVG: 3816600 0.322651 -6.31299 -33.0586 -6.31299 -18.4695 4.97665 -33.0586 4.97661 17.4981 GPRESSAVG: 3816600 1.60509 -7.1988 -34.9138 -5.98475 -19.2138 3.23797 -29.3831 3.99362 17.0064 TIMING: 3816600 CPU: 12060.3, 0.00318687/step Wall: 12060.3, 0.00318687/step, 1.0476 hours remaining, 236.097656 MB of memory in use. ENERGY: 3816600 3969.7338 20490.7080 14409.5678 239.6676 -203488.7949 2817.1065 0.0000 0.0000 51873.4430 -109688.5682 298.1174 -161562.0112 -109323.3106 298.5361 -92.4645 -63.3456 763248.4999 -0.2163 -0.2008 PRESSURE: 3816800 -244.351 -110.039 -62.8122 -110.039 -188.946 -175.287 -62.8118 -175.289 -173.88 GPRESSURE: 3816800 -241.889 -216.499 -32.2488 -28.2646 -124.373 -201.291 -92.3126 -111.106 -146.833 PRESSAVG: 3816800 -70.5835 8.73692 -15.2218 8.737 30.3032 -7.23278 -15.2218 -7.23277 -0.398116 GPRESSAVG: 3816800 -72.6489 8.35803 -13.3755 8.49353 31.6178 -6.62832 -17.3213 -6.12651 0.633893 TIMING: 3816800 CPU: 12061, 0.00315258/step Wall: 12061, 0.00315258/step, 1.03615 hours remaining, 236.097656 MB of memory in use. ENERGY: 3816800 3916.6749 20545.2714 14406.7541 237.0874 -203634.2728 2687.2164 0.0000 0.0000 51994.0723 -109847.1964 298.8106 -161841.2687 -109479.7040 298.1518 -202.3926 -171.0317 764219.2648 -13.5595 -13.4657 PRESSURE: 3817000 205.145 -235.143 -94.9747 -235.143 523.504 -40.5545 -94.9755 -40.5545 286.872 GPRESSURE: 3817000 281.23 -298.172 -102.568 -224.796 477.224 -60.6753 -68.8504 -59.4919 350.515 PRESSAVG: 3817000 13.6459 21.8164 -7.98036 21.8164 1.68649 0.794852 -7.98036 0.794871 12.7456 GPRESSAVG: 3817000 14.96 22.8548 -6.97186 19.9485 0.20945 -0.132289 -8.39456 1.50798 12.4056 TIMING: 3817000 CPU: 12061.6, 0.00315833/step Wall: 12061.6, 0.00315833/step, 1.03786 hours remaining, 236.097656 MB of memory in use. ENERGY: 3817000 3914.9558 20505.4540 14391.6481 240.7478 -203633.6980 2887.9099 0.0000 0.0000 51721.3420 -109971.6404 297.2433 -161692.9824 -109614.0688 298.1452 338.5072 369.6564 762582.9389 9.3593 9.1917 PRESSURE: 3817200 -32.2078 8.36658 13.1871 8.36672 -213.619 165.77 13.1861 165.771 421.194 GPRESSURE: 3817200 -64.9355 -29.1553 -0.177108 -3.48337 -31.1953 228.5 -30.7122 15.457 344.522 PRESSAVG: 3817200 -2.74426 -8.60108 37.3446 -8.60106 -17.6034 -3.47865 37.3446 -3.47873 13.0527 GPRESSAVG: 3817200 -3.88905 -8.48081 36.9067 -8.91464 -17.2196 -4.58362 37.1078 -3.98747 13.5191 TIMING: 3817200 CPU: 12062.2, 0.00316967/step Wall: 12062.2, 0.00316967/step, 1.04141 hours remaining, 236.097656 MB of memory in use. ENERGY: 3817200 3935.5792 20468.4222 14428.0004 240.3281 -203161.7415 2559.6241 0.0000 0.0000 51682.1663 -109847.6211 297.0181 -161529.7874 -109486.7560 297.8324 58.4557 82.7972 763974.3093 -2.4316 -2.5299 PRESSURE: 3817400 129.797 -269.333 10.3274 -269.332 -79.8828 -19.8397 10.3269 -19.8395 -103.358 GPRESSURE: 3817400 162.409 -190.63 -36.4981 -320.199 -99.6108 -12.9555 -114.163 37.366 -27.0287 PRESSAVG: 3817400 -27.9898 19.6373 -16.8891 19.6372 -13.8172 16.6883 -16.889 16.6882 -10.6333 GPRESSAVG: 3817400 -28.1618 18.9358 -17.7225 20.3938 -12.888 20.5317 -16.196 15.9543 -10.9123 TIMING: 3817400 CPU: 12062.9, 0.00316021/step Wall: 12062.9, 0.00316021/step, 1.03813 hours remaining, 236.097656 MB of memory in use. ENERGY: 3817400 3988.0350 20400.5345 14484.9244 239.6041 -203522.0516 2714.3936 0.0000 0.0000 51881.6784 -109812.8815 298.1647 -161694.5599 -109440.1379 298.1198 -17.8144 11.9232 761979.0731 -17.4801 -17.3207 PRESSURE: 3817600 -438.198 -162.323 146.599 -162.323 74.7476 18.8167 146.599 18.817 95.7662 GPRESSURE: 3817600 -328.879 -128.559 131.302 -118.057 60.0602 17.3819 304.574 50.5064 99.4249 PRESSAVG: 3817600 -23.5325 -20.0235 -32.7508 -20.0235 34.9548 -31.8807 -32.7507 -31.8807 10.5062 GPRESSAVG: 3817600 -21.2965 -20.2535 -31.5155 -20.637 33.4187 -32.6468 -33.6665 -30.8618 9.68938 TIMING: 3817600 CPU: 12063.5, 0.00317375/step Wall: 12063.5, 0.00317375/step, 1.0424 hours remaining, 236.097656 MB of memory in use. ENERGY: 3817600 4015.1601 20409.5868 14496.2580 232.2288 -203411.0370 2517.4904 0.0000 0.0000 52004.7144 -109735.5985 298.8718 -161740.3129 -109373.4405 298.4415 -89.2281 -56.4646 760776.3674 7.3095 7.2705 PRESSURE: 3817800 -590.855 17.6505 227.461 17.6506 -295.867 -70.7641 227.461 -70.7643 -37.1451 GPRESSURE: 3817800 -462.225 19.2279 114.597 -47.7922 -288.692 -27.7635 184.258 48.6683 -82.573 PRESSAVG: 3817800 -54.6508 -14.9765 2.19874 -14.9765 10.0501 -11.5455 2.1987 -11.5456 -9.45992 GPRESSAVG: 3817800 -56.2918 -15.9271 0.958879 -13.2379 10.3727 -12.2168 3.13354 -11.8923 -8.72369 TIMING: 3817800 CPU: 12064.1, 0.00316841/step Wall: 12064.1, 0.0031684/step, 1.04047 hours remaining, 236.097656 MB of memory in use. ENERGY: 3817800 3997.7284 20554.6289 14448.1131 244.2227 -203249.8364 2381.2329 0.0000 0.0000 51929.3074 -109694.6030 298.4384 -161623.9103 -109334.6191 298.1295 -307.9558 -277.8299 761796.1856 -18.0202 -18.2143 PRESSURE: 3818000 -38.1753 98.186 26.5353 98.1858 12.1932 85.1103 26.5355 85.1108 -175.924 GPRESSURE: 3818000 27.8762 31.4759 9.74953 95.9364 6.20447 90.7669 155.518 28.5816 -156.295 PRESSAVG: 3818000 0.82171 -60.5128 -32.7237 -60.5128 10.6359 17.9488 -32.7237 17.9488 -16.6358 GPRESSAVG: 3818000 0.780694 -57.6719 -32.4158 -63.7359 11.1265 17.5755 -32.6282 17.1211 -17.2224 TIMING: 3818000 CPU: 12064.8, 0.0031685/step Wall: 12064.8, 0.0031685/step, 1.04032 hours remaining, 236.097656 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: 3818000 3935.8088 20416.8848 14436.6130 244.8436 -203425.5713 2605.8182 0.0000 0.0000 51974.2058 -109811.3970 298.6965 -161785.6028 -109444.6896 298.2938 -67.3022 -40.7382 761602.1570 -1.7260 -1.7717 PRESSURE: 3818200 -164.71 82.1671 -75.9175 82.1676 -91.2152 -70.9041 -75.9177 -70.9042 -3.41803 GPRESSURE: 3818200 -85.9771 12.5746 -71.7004 -67.5186 -6.24224 30.8251 69.2609 -69.9245 -96.7157 PRESSAVG: 3818200 -20.8993 -10.9811 -8.08203 -10.9812 4.95811 -17.8066 -8.08201 -17.8066 -18.7405 GPRESSAVG: 3818200 -19.9841 -12.2738 -7.93962 -9.36156 5.08142 -17.0209 -7.11072 -17.8868 -19.44 TIMING: 3818200 CPU: 12065.4, 0.0031521/step Wall: 12065.4, 0.0031521/step, 1.03476 hours remaining, 236.097656 MB of memory in use. ENERGY: 3818200 3975.0227 20527.4187 14410.9879 246.5511 -203651.8000 2545.6630 0.0000 0.0000 52099.5694 -109846.5872 299.4169 -161946.1566 -109480.6284 298.3304 -86.4478 -62.9784 759760.1961 -11.5606 -11.4476 PRESSURE: 3818400 -222.436 65.3325 -11.0903 65.3324 76.8951 51.0147 -11.0912 51.014 175.21 GPRESSURE: 3818400 -128.214 127.503 -14.9931 104.639 128.054 106.964 -85.8706 0.298656 137.937 PRESSAVG: 3818400 -104.643 -14.1534 56.428 -14.1535 85.7627 9.0817 56.428 9.08165 8.04414 GPRESSAVG: 3818400 -105.525 -14.378 57.6293 -13.0837 84.927 9.93326 56.2309 8.56274 9.52943 TIMING: 3818400 CPU: 12066, 0.00313291/step Wall: 12066, 0.00313291/step, 1.02829 hours remaining, 236.097656 MB of memory in use. ENERGY: 3818400 4045.1303 20476.0562 14403.7989 262.3108 -203414.8356 2669.3161 0.0000 0.0000 51913.9663 -109644.2570 298.3503 -161558.2233 -109289.7336 298.3539 9.8895 45.9256 760673.6547 -3.6122 -3.6896 PRESSURE: 3818600 11.2021 -73.0999 15.7887 -73.1001 -87.0147 -128.346 15.7887 -128.347 -321.324 GPRESSURE: 3818600 -0.277649 -154.672 99.033 -5.10563 34.0486 -177.158 48.1929 -304.648 -348.91 PRESSAVG: 3818600 -10.8119 -28.7133 49.612 -28.7133 3.7662 -2.57547 49.612 -2.57552 -18.7674 GPRESSAVG: 3818600 -10.7929 -26.8915 49.0997 -29.4979 5.06466 -4.64316 47.2525 -1.58799 -19.5711 TIMING: 3818600 CPU: 12066.7, 0.00314707/step Wall: 12066.7, 0.00314707/step, 1.03276 hours remaining, 236.097656 MB of memory in use. ENERGY: 3818600 3968.1394 20373.6762 14439.3059 229.0074 -203079.1272 2577.6244 0.0000 0.0000 52055.0570 -109436.3169 299.1611 -161491.3739 -109070.9485 298.7836 -132.3790 -105.0464 760940.0124 -8.6044 -8.4331 PRESSURE: 3818800 195.25 -9.29215 -104.958 -9.29243 -347.764 -142.867 -104.957 -142.868 -33.4144 GPRESSURE: 3818800 298.959 31.5368 -177.082 -7.83131 -387.728 -94.3093 -68.5011 -88.7196 -9.75608 PRESSAVG: 3818800 -3.55243 -27.125 38.252 -27.125 14.6211 -10.3696 38.252 -10.3697 -15.5744 GPRESSAVG: 3818800 -2.8838 -26.3368 38.0337 -27.4151 14.3725 -8.50701 38.2406 -9.84179 -16.2176 TIMING: 3818800 CPU: 12067.3, 0.00315159/step Wall: 12067.3, 0.00315159/step, 1.03407 hours remaining, 236.097656 MB of memory in use. ENERGY: 3818800 3926.1156 20611.3582 14463.9910 240.7451 -203003.5737 2224.2943 0.0000 0.0000 52151.7139 -109385.3556 299.7166 -161537.0695 -109009.6495 298.9631 -61.9759 -32.8416 761710.1453 -1.5019 -1.5763 PRESSURE: 3819000 -15.7429 -22.6856 20.9453 -22.6845 -295.623 -221.798 20.9453 -221.797 -159.046 GPRESSURE: 3819000 -68.68 -68.4631 71.834 -104.376 -236.477 -225.157 -6.94714 -25.9681 -89.9816 PRESSAVG: 3819000 -12.6361 -54.7713 4.5321 -54.7713 14.7192 5.35449 4.53216 5.35445 12.5698 GPRESSAVG: 3819000 -12.1696 -56.6246 4.00562 -55.7385 13.8663 2.14172 5.35504 6.9107 13.4537 TIMING: 3819000 CPU: 12067.9, 0.00315106/step Wall: 12067.9, 0.00315106/step, 1.03372 hours remaining, 236.097656 MB of memory in use. ENERGY: 3819000 4014.8892 20552.8563 14465.2406 233.3327 -203005.1246 2378.7955 0.0000 0.0000 52032.9504 -109327.0599 299.0341 -161360.0104 -108958.4005 299.2835 -156.8041 -131.7129 761857.8644 4.8843 5.0501 PRESSURE: 3819200 -130.349 -210.393 -128.224 -210.393 -76.2495 -305.991 -128.223 -305.991 -142.929 GPRESSURE: 3819200 -136.615 -144.478 -104.054 -130.731 -16.1319 -201.047 -88.3271 -246.898 -114.232 PRESSAVG: 3819200 13.3426 0.0930514 -44.1221 0.0930418 -13.7848 10.073 -44.1221 10.073 6.17911 GPRESSAVG: 3819200 12.4577 0.609109 -43.3833 0.598951 -12.3452 12.1954 -44.542 6.76503 6.31923 TIMING: 3819200 CPU: 12068.6, 0.00314314/step Wall: 12068.6, 0.00314314/step, 1.03095 hours remaining, 236.097656 MB of memory in use. ENERGY: 3819200 3923.0789 20578.9500 14450.1479 241.9985 -203022.6553 2565.0764 0.0000 0.0000 52046.1050 -109217.2985 299.1097 -161263.4035 -108855.0123 299.1533 -116.5090 -88.9932 761300.9404 1.9123 2.1439 PRESSURE: 3819400 -352.788 -130.608 -7.75877 -130.608 4.49411 25.5818 -7.75891 25.5814 -110.433 GPRESSURE: 3819400 -298.547 17.253 -33.7991 -91.5195 62.2661 -106.539 12.6169 93.8864 -139.864 PRESSAVG: 3819400 -24.4702 -20.8521 4.96361 -20.8522 -4.02182 21.3425 4.96363 21.3425 21.2236 GPRESSAVG: 3819400 -23.4983 -21.6479 3.8216 -20.6738 -4.50156 21.1008 7.45164 23.2058 21.1357 TIMING: 3819400 CPU: 12069.2, 0.00313743/step Wall: 12069.2, 0.00313743/step, 1.0289 hours remaining, 236.097656 MB of memory in use. ENERGY: 3819400 3978.5738 20367.5909 14491.4279 251.7046 -203125.8260 2507.4264 0.0000 0.0000 52246.5980 -109282.5045 300.2619 -161529.1024 -108911.6870 299.0091 -152.9088 -125.3816 761202.0516 -2.4228 -2.2880 PRESSURE: 3819600 -105.04 -74.7608 133.959 -74.7622 -161.828 121.904 133.959 121.905 126.567 GPRESSURE: 3819600 -118.013 -264.393 203.313 -138.118 -84.6037 161.276 90.5324 67.0444 141.356 PRESSAVG: 3819600 19.6826 12.0574 -25.7105 12.0573 -53.5075 -3.35341 -25.7104 -3.3535 18.3058 GPRESSAVG: 3819600 19.8326 13.8231 -25.9672 11.6011 -52.5789 -4.80122 -27.6078 -3.89146 16.8465 TIMING: 3819600 CPU: 12069.8, 0.00316301/step Wall: 12069.8, 0.00316301/step, 1.03712 hours remaining, 236.097656 MB of memory in use. ENERGY: 3819600 3954.7488 20414.7059 14505.1325 255.4237 -203161.9859 2737.9210 0.0000 0.0000 52000.2978 -109293.7561 298.8464 -161294.0539 -108937.3266 298.9654 -46.7670 -20.4203 762219.0194 -5.1730 -5.2999 PRESSURE: 3819800 40.9236 -45.7373 -381.786 -45.737 -24.1219 40.9779 -381.786 40.9775 9.60963 GPRESSURE: 3819800 105.852 -46.4584 -289.789 -53.9844 -69.9667 45.2158 -454.15 81.9974 85.1081 PRESSAVG: 3819800 52.4325 -42.6405 -8.9378 -42.6405 18.9336 -13.472 -8.93784 -13.472 19.3785 GPRESSAVG: 3819800 53.5414 -44.1366 -9.50704 -41.4483 16.8085 -11.6144 -10.429 -13.6513 20.7702 TIMING: 3819800 CPU: 12070.4, 0.00316075/step Wall: 12070.4, 0.00316075/step, 1.0362 hours remaining, 236.097656 MB of memory in use. ENERGY: 3819800 3923.0541 20454.1879 14458.4710 276.6698 -203007.6640 2505.9443 0.0000 0.0000 52115.6439 -109273.6930 299.5093 -161389.3369 -108921.4057 298.9828 8.8038 40.3311 763312.7637 30.2482 30.3734 PRESSURE: 3820000 -403.431 147.007 -71.1292 147.007 -311.064 387.567 -71.129 387.567 -132.83 GPRESSURE: 3820000 -385.009 105.642 -99.862 145.094 -213.67 308.979 44.0948 272.744 -163.241 PRESSAVG: 3820000 -15.6876 -6.28627 -32.0079 -6.28617 -1.51239 23.9016 -32.0079 23.9016 1.66555 GPRESSAVG: 3820000 -16.7547 -6.66205 -31.6038 -7.37489 -0.201668 23.9736 -31.9483 24.2024 1.4212 TIMING: 3820000 CPU: 12071.1, 0.00317407/step Wall: 12071.1, 0.00317407/step, 1.04039 hours remaining, 236.097656 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: 3820000 3988.4211 20556.7147 14506.2257 262.0292 -202845.1472 2494.0111 0.0000 0.0000 51909.2018 -109128.5436 298.3229 -161037.7453 -108774.1101 298.5607 -282.4416 -253.9732 763534.6794 -5.1781 -5.1784 PRESSURE: 3820200 263.473 243.957 15.641 243.956 420.996 229.966 15.6411 229.967 95.853 GPRESSURE: 3820200 312.149 282.184 88.0504 192.231 395.698 176.351 -51.2237 290.064 154.198 PRESSAVG: 3820200 1.81525 18.0559 -5.67597 18.0559 8.50264 26.1061 -5.67595 26.1061 33.9836 GPRESSAVG: 3820200 1.917 19.265 -4.23189 18.7243 8.03277 26.4494 -4.39947 26.7617 34.5798 TIMING: 3820200 CPU: 12071.7, 0.00316058/step Wall: 12071.7, 0.00316058/step, 1.03579 hours remaining, 236.097656 MB of memory in use. ENERGY: 3820200 3888.6381 20265.1847 14460.2228 253.5058 -202638.4674 2722.7207 0.0000 0.0000 51973.2331 -109074.9623 298.6909 -161048.1954 -108705.8406 299.0291 260.1072 287.3479 763471.2328 14.7672 14.8432 LDB: ============= START OF LOAD BALANCING ============== 12084.2 LDB: ============== END OF LOAD BALANCING =============== 12084.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.2 LDB: ============= START OF LOAD BALANCING ============== 12084.6 LDB: Largest compute 7026 load 0.032887 is 16.8% of average load 0.195665 LDB: Average compute 0.004392 is 2.2% of average load 0.195665 LDB: TIME 12084.6 LOAD: AVG 0.195665 MAX 0.21949 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.199 MB LDB: TIME 12084.6 LOAD: AVG 0.195665 MAX 0.21949 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: TIME 12084.6 LOAD: AVG 0.195665 MAX 0.215495 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: ============== END OF LOAD BALANCING =============== 12084.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12084.6 PRESSURE: 3820400 7.8961 -111.156 306.036 -111.156 286.374 -192.363 306.037 -192.363 -57.1741 GPRESSURE: 3820400 21.684 -73.3142 294.252 -211.165 238.36 -176.682 353.551 -137.17 37.8107 PRESSAVG: 3820400 5.52595 -49.5814 56.2366 -49.5814 6.0917 33.7531 56.2366 33.7531 -8.33522 GPRESSAVG: 3820400 5.65379 -49.1281 54.2457 -51.5888 6.05348 35.2939 54.484 31.4748 -8.33086 TIMING: 3820400 CPU: 12072.4, 0.0032356/step Wall: 12072.4, 0.0032356/step, 1.0602 hours remaining, 235.519531 MB of memory in use. ENERGY: 3820400 4013.8427 20397.7334 14484.7050 256.8132 -202992.1465 2348.4963 0.0000 0.0000 52225.3783 -109265.1776 300.1400 -161490.5559 -108895.1216 299.0097 79.0320 99.2848 760407.9822 1.0941 1.1255 PRESSURE: 3820600 129.978 184.916 -132.814 184.917 98.1277 12.1152 -132.813 12.1148 -52.8601 GPRESSURE: 3820600 159.708 206.498 -135.31 214.52 131.446 43.0637 -106.506 -10.2562 -34.5073 PRESSAVG: 3820600 36.416 -15.4973 -20.7608 -15.4973 -20.3798 6.6277 -20.7608 6.62762 -36.5511 GPRESSAVG: 3820600 35.4575 -15.9042 -21.46 -13.6568 -19.177 4.9411 -18.4034 8.23129 -37.0179 TIMING: 3820600 CPU: 12073, 0.00316619/step Wall: 12073, 0.00316619/step, 1.03728 hours remaining, 235.722656 MB of memory in use. ENERGY: 3820600 3958.9113 20523.7328 14500.3239 244.8854 -203320.0079 2848.0384 0.0000 0.0000 52032.2918 -109211.8243 299.0303 -161244.1162 -108840.6742 299.4499 58.4153 85.5488 762487.2923 -6.8383 -6.9124 PRESSURE: 3820800 -322.909 114.624 -58.8044 114.624 -244.17 13.771 -58.8054 13.7712 -138.855 GPRESSURE: 3820800 -273.103 106.609 10.6714 146.833 -243.829 -55.8212 -148.239 -0.831846 -99.7934 PRESSAVG: 3820800 -24.1475 -6.3254 7.25284 -6.32537 -6.26731 15.4571 7.25279 15.457 9.75372 GPRESSAVG: 3820800 -23.4662 -6.02771 8.56693 -7.31049 -6.24159 15.5622 6.09242 14.7994 9.42733 TIMING: 3820800 CPU: 12073.6, 0.00317028/step Wall: 12073.6, 0.00317028/step, 1.03844 hours remaining, 235.980469 MB of memory in use. ENERGY: 3820800 3969.4167 20468.2535 14451.4236 245.1833 -202997.0976 2544.5739 0.0000 0.0000 52292.0183 -109026.2282 300.5229 -161318.2465 -108655.0862 299.4967 -235.3113 -205.5752 764455.4076 -6.8870 -6.7602 PRESSURE: 3821000 -242.731 -15.8165 65.8748 -15.8172 140.344 -64.6114 65.8763 -64.6116 -275.693 GPRESSURE: 3821000 -146.417 -84.4554 47.3192 46.5005 124.925 -153.337 135.75 -13.7445 -274.313 PRESSAVG: 3821000 -9.67056 -41.1733 -25.0315 -41.1733 7.56108 16.8074 -25.0315 16.8075 -25.1063 GPRESSAVG: 3821000 -9.11666 -42.7188 -25.0177 -39.8982 6.43819 16.7424 -23.5475 17.3051 -24.3585 TIMING: 3821000 CPU: 12074.3, 0.003176/step Wall: 12074.3, 0.003176/step, 1.04014 hours remaining, 235.980469 MB of memory in use. ENERGY: 3821000 3972.3522 20441.5323 14492.8340 256.2209 -203256.1890 2591.5225 0.0000 0.0000 52501.8941 -108999.8329 301.7291 -161501.7270 -108627.9481 299.9320 -126.0269 -98.6018 761911.0012 -9.0719 -9.0123 PRESSURE: 3821200 -4.98076 -81.1054 -80.0816 -81.1064 -102.142 166.335 -80.0818 166.334 -373.561 GPRESSURE: 3821200 -58.669 -76.6048 -125.726 8.76909 -52.1089 178.968 -60.0948 192.997 -312.049 PRESSAVG: 3821200 -48.1833 18.6838 4.70485 18.6838 16.5876 26.8637 4.70486 26.8637 16.3483 GPRESSAVG: 3821200 -49.126 21.0308 4.10462 17.0341 17.944 26.7959 5.05771 27.3409 15.8594 TIMING: 3821200 CPU: 12074.9, 0.00319101/step Wall: 12074.9, 0.00319101/step, 1.04488 hours remaining, 235.980469 MB of memory in use. ENERGY: 3821200 4087.7065 20415.3700 14440.2668 230.9136 -203217.4964 2356.3377 0.0000 0.0000 52370.1701 -109316.7317 300.9721 -161686.9018 -108951.2093 299.9076 -160.2279 -140.9421 762088.5656 -5.0825 -5.1075 PRESSURE: 3821400 122.689 175.568 298.037 175.567 -237.122 199.108 298.039 199.109 24.0893 GPRESSURE: 3821400 93.3625 115 218.315 106.673 -217.05 228.3 272.651 78.923 110.045 PRESSAVG: 3821400 5.51552 11.9961 -3.54613 11.996 -23.2958 -64.6847 -3.54612 -64.6847 -23.7081 GPRESSAVG: 3821400 5.14918 11.2198 -3.36318 13.1735 -24.4404 -65.9358 -2.74845 -64.831 -22.3902 TIMING: 3821400 CPU: 12075.5, 0.0031879/step Wall: 12075.5, 0.0031879/step, 1.04368 hours remaining, 235.980469 MB of memory in use. ENERGY: 3821400 4008.2008 20492.1604 14454.8769 231.3853 -203295.1701 2685.1829 0.0000 0.0000 52010.2913 -109413.0725 298.9039 -161423.3638 -109049.8516 299.1429 -30.1146 -4.5477 760955.2069 -13.8295 -13.8938 PRESSURE: 3821600 124.973 188.642 -253.26 188.642 51.4896 -28.0258 -253.259 -28.0261 -280.049 GPRESSURE: 3821600 71.3004 112.099 -228.952 156.36 134.194 -12.4175 -274.39 39.3709 -225.4 PRESSAVG: 3821600 3.54913 -8.07743 15.643 -8.07744 11.5979 -4.17473 15.643 -4.17465 35.7209 GPRESSAVG: 3821600 3.516 -8.56511 16.8989 -7.28086 11.9084 -1.00679 15.7277 -5.08651 35.0123 TIMING: 3821600 CPU: 12076.2, 0.00320972/step Wall: 12076.2, 0.00320973/step, 1.05065 hours remaining, 235.980469 MB of memory in use. ENERGY: 3821600 4018.6086 20530.8260 14517.8993 280.9577 -203282.8397 2553.8065 0.0000 0.0000 52109.3436 -109271.3979 299.4731 -161380.7415 -108907.8400 298.8449 -34.5287 -6.6352 761275.7997 16.9560 16.8122 PRESSURE: 3821800 393.758 -49.6343 22.4736 -49.6353 72.4089 -184.834 22.4732 -184.834 103.798 GPRESSURE: 3821800 324.761 -75.3465 33.1615 -158.831 159.192 -155.897 -85.8819 -240.438 173.219 PRESSAVG: 3821800 -42.1739 6.04599 -48.2137 6.04597 29.6384 1.99152 -48.2137 1.99157 -11.1469 GPRESSAVG: 3821800 -42.2998 7.03771 -50.1743 4.14023 29.0634 1.61533 -48.5488 2.69922 -9.84343 TIMING: 3821800 CPU: 12076.8, 0.00319136/step Wall: 12076.8, 0.00319136/step, 1.04446 hours remaining, 235.980469 MB of memory in use. ENERGY: 3821800 3953.3951 20543.6383 14521.5602 251.3854 -203748.5696 3106.9853 0.0000 0.0000 52092.6049 -109279.0005 299.3769 -161371.6054 -108929.4304 299.4757 189.9882 219.0573 761074.2062 -7.8941 -7.6933 PRESSURE: 3822000 -101.54 261.382 112.64 261.383 -3.73833 105.269 112.639 105.269 -350.841 GPRESSURE: 3822000 -79.8907 195.07 138.758 316.432 49.7346 178.407 61.6911 19.0592 -323.758 PRESSAVG: 3822000 -53.0636 -7.73336 -32.9533 -7.73331 21.9356 7.10724 -32.9534 7.10732 -11.1075 GPRESSAVG: 3822000 -52.7414 -7.95386 -31.5004 -5.22682 22.6824 6.16747 -34.157 6.46943 -12.5205 TIMING: 3822000 CPU: 12077.4, 0.00316644/step Wall: 12077.4, 0.00316644/step, 1.03613 hours remaining, 235.980469 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: 3822000 3992.9416 20616.7168 14420.8228 234.5361 -203280.1556 2663.4345 0.0000 0.0000 52102.0120 -109249.6918 299.4310 -161351.7038 -108887.2016 299.8202 -152.0399 -117.9712 762872.8677 -14.0785 -14.1932 PRESSURE: 3822200 173.026 3.34164 -291.378 3.34081 192.764 116.965 -291.378 116.966 373.868 GPRESSURE: 3822200 286.405 -3.06852 -308.574 0.614445 187.721 87.7385 -177.451 51.4876 338.426 PRESSAVG: 3822200 5.97853 36.9947 -3.35759 36.9948 -7.96379 40.4691 -3.35759 40.4691 14.8963 GPRESSAVG: 3822200 5.56545 38.1226 -4.95272 35.5517 -7.75181 40.805 -4.45019 38.8845 14.8064 TIMING: 3822200 CPU: 12078.1, 0.00317199/step Wall: 12078.1, 0.00317199/step, 1.03777 hours remaining, 235.980469 MB of memory in use. ENERGY: 3822200 3923.9142 20629.1375 14503.3447 250.2120 -203673.0799 2929.7417 0.0000 0.0000 52234.2721 -109202.4577 300.1911 -161436.7298 -108843.7411 300.2354 246.5525 270.8509 762240.8812 4.3037 4.2067 PRESSURE: 3822400 -296.204 -39.1293 68.7858 -39.1294 -7.16185 -17.3019 68.7852 -17.3016 131.519 GPRESSURE: 3822400 -267.792 -17.9675 10.0441 -30.1304 60.0301 -53.899 83.949 -47.6917 104.268 PRESSAVG: 3822400 -4.04082 -2.24351 19.8985 -2.24352 12.5331 9.29461 19.8984 9.29471 2.85373 GPRESSAVG: 3822400 -3.85105 -4.09518 20.6472 -1.68288 12.4111 8.89135 19.9579 12.4 2.97664 TIMING: 3822400 CPU: 12078.7, 0.00316916/step Wall: 12078.7, 0.00316916/step, 1.03667 hours remaining, 235.980469 MB of memory in use. ENERGY: 3822400 3959.5751 20567.8619 14465.8215 270.6399 -203447.7777 2708.0864 0.0000 0.0000 52267.4387 -109208.3542 300.3817 -161475.7930 -108850.8998 299.6955 -57.2821 -34.4977 761464.8933 3.7820 3.8456 PRESSURE: 3822600 -21.8435 -90.5375 -15.8077 -90.5376 208.324 1.22011 -15.808 1.21972 -38.3634 GPRESSURE: 3822600 23.0245 -99.8742 -30.4194 -130.984 222.258 54.214 0.702413 44.2651 -30.4625 PRESSAVG: 3822600 -24.4242 18.1596 -5.96796 18.1596 33.1077 119.516 -5.96797 119.516 10.3176 GPRESSAVG: 3822600 -24.9326 18.051 -6.37265 18.2276 33.7937 119.08 -3.7733 117.924 9.64625 TIMING: 3822600 CPU: 12079.4, 0.00316663/step Wall: 12079.4, 0.00316663/step, 1.03566 hours remaining, 235.980469 MB of memory in use. ENERGY: 3822600 3941.6819 20489.6259 14470.8791 253.9736 -203641.5646 2911.9555 0.0000 0.0000 52098.3143 -109475.1342 299.4097 -161573.4485 -109107.4578 299.5524 49.3723 71.6065 761110.9518 6.3337 6.1691 PRESSURE: 3822800 63.4679 177.993 8.72364 177.994 -141.1 142.81 8.7237 142.809 32.7953 GPRESSURE: 3822800 56.7065 62.2454 -29.3232 113.884 -14.1192 220.233 -39.5282 194.076 -4.51434 PRESSAVG: 3822800 23.6243 -25.0352 -10.0755 -25.0351 -8.38134 -17.1387 -10.0755 -17.1387 -20.2522 GPRESSAVG: 3822800 23.5558 -24.4391 -8.43171 -26.2301 -8.85521 -18.8542 -11.4761 -15.819 -18.8244 TIMING: 3822800 CPU: 12080, 0.00316829/step Wall: 12080, 0.00316829/step, 1.03603 hours remaining, 235.980469 MB of memory in use. ENERGY: 3822800 4039.5602 20361.5874 14471.9850 239.6637 -203237.8829 2583.9640 0.0000 0.0000 52136.2275 -109404.8951 299.6276 -161541.1226 -109036.5683 299.1106 -14.9454 12.6910 762361.5379 -1.6698 -1.3746 PRESSURE: 3823000 -186.383 -41.4178 157.68 -41.4185 214.436 -53.7741 157.68 -53.7729 349.717 GPRESSURE: 3823000 -86.4269 61.7646 244.987 -95.5176 206.943 -126.416 72.7078 -66.1089 311.568 PRESSAVG: 3823000 54.3395 27.2797 19.0206 27.2797 -8.30502 36.1723 19.0206 36.1724 5.26706 GPRESSAVG: 3823000 55.8912 26.4366 19.1169 28.7876 -8.10491 37.1344 16.2449 35.165 3.67082 TIMING: 3823000 CPU: 12080.6, 0.00317766/step Wall: 12080.6, 0.00317766/step, 1.03892 hours remaining, 235.980469 MB of memory in use. ENERGY: 3823000 4013.1745 20340.2519 14490.1010 247.8605 -203623.6485 2939.1875 0.0000 0.0000 52211.5197 -109381.5534 300.0603 -161593.0731 -109026.1729 299.7563 125.9233 144.0278 762130.8262 17.1005 17.1524 PRESSURE: 3823200 -327.4 32.1353 -212.677 32.1353 25.1852 20.0272 -212.677 20.0277 -297.79 GPRESSURE: 3823200 -274.644 93.8811 -131.226 209.298 -33.2683 83.9353 -248.018 -6.18885 -204.898 PRESSAVG: 3823200 20.2724 -7.29262 32.1171 -7.29256 27.4812 -7.33515 32.117 -7.33506 12.3932 GPRESSAVG: 3823200 20.7374 -6.25468 30.7844 -8.49291 26.528 -8.44569 35.7302 -5.53211 13.5398 TIMING: 3823200 CPU: 12081.3, 0.0031705/step Wall: 12081.3, 0.0031705/step, 1.0364 hours remaining, 235.980469 MB of memory in use. ENERGY: 3823200 3947.2670 20436.4061 14465.3967 246.2523 -203234.9772 2410.6837 0.0000 0.0000 52192.3856 -109536.5857 299.9504 -161728.9713 -109179.3083 299.1816 -200.0015 -170.9370 762024.4735 20.0489 20.2684 PRESSURE: 3823400 100.438 -140.11 -139.977 -140.109 -238.558 168.669 -139.977 168.668 -140.65 GPRESSURE: 3823400 67.6405 -172.304 -122.174 -160.61 -220.582 164.945 -87.073 131.374 -55.7533 PRESSAVG: 3823400 1.07985 -13.2323 20.6188 -13.2323 -18.4516 3.956 20.6188 3.95608 -6.6651 GPRESSAVG: 3823400 -0.527986 -12.7557 20.9067 -14.6747 -17.6727 4.81323 21.1283 3.83687 -6.54769 TIMING: 3823400 CPU: 12081.9, 0.00315638/step Wall: 12081.9, 0.00315638/step, 1.03161 hours remaining, 235.980469 MB of memory in use. ENERGY: 3823400 3958.7931 20522.5426 14400.2630 251.1881 -203305.3793 2703.5988 0.0000 0.0000 52067.0565 -109401.9370 299.2301 -161468.9935 -109042.1952 299.2323 -92.9234 -69.5648 762028.2766 -8.0123 -8.2494 PRESSURE: 3823600 -5.46813 -116.089 15.0987 -116.09 -146.64 223.363 15.0986 223.362 -166.706 GPRESSURE: 3823600 74.5208 -136.73 -22.1039 -177.023 -168.208 169.705 31.3238 60.2857 -131.406 PRESSAVG: 3823600 16.7382 24.321 4.73268 24.321 4.99622 -5.82464 4.73269 -5.82465 -12.0569 GPRESSAVG: 3823600 17.151 22.4849 3.43586 26.4376 4.8029 -5.68195 4.30327 -7.65483 -12.7661 TIMING: 3823600 CPU: 12082.5, 0.00316274/step Wall: 12082.5, 0.00316274/step, 1.03351 hours remaining, 235.980469 MB of memory in use. ENERGY: 3823600 4007.7246 20663.9759 14412.3262 275.6442 -202973.4542 2370.9167 0.0000 0.0000 51889.1111 -109353.7556 298.2074 -161242.8667 -108999.2276 299.4145 -106.2713 -75.0311 762883.2246 3.2258 3.0626 PRESSURE: 3823800 270.458 -19.8069 65.3838 -19.8065 130.284 -102.71 65.3832 -102.709 -11.7959 GPRESSURE: 3823800 331.933 19.6429 100.15 104.965 195.737 -140.465 8.98664 95.9312 -64.1562 PRESSAVG: 3823800 19.0935 -37.4445 54.0205 -37.4444 17.041 58.3633 54.0206 58.3632 -1.11875 GPRESSAVG: 3823800 16.8232 -36.6565 56.0391 -36.7167 18.2439 59.9834 51.3533 59.2756 0.0665564 TIMING: 3823800 CPU: 12083.2, 0.00316381/step Wall: 12083.2, 0.00316381/step, 1.03369 hours remaining, 235.980469 MB of memory in use. ENERGY: 3823800 3910.3441 20459.1940 14437.2158 226.8231 -203568.5294 2729.3429 0.0000 0.0000 52236.0768 -109569.5328 300.2015 -161805.6096 -109194.7380 298.6767 129.6487 154.5047 762283.4548 11.6719 11.7112 PRESSURE: 3824000 79.2521 -42.5978 39.2802 -42.5978 -206.735 30.4397 39.28 30.4408 -156.775 GPRESSURE: 3824000 68.2091 4.00418 73.9159 -62.5016 -170.588 81.9084 138.728 47.4609 -94.4211 PRESSAVG: 3824000 35.1729 -28.8119 32.9841 -28.8119 -12.8792 42.9919 32.9841 42.9919 -24.2407 GPRESSAVG: 3824000 36.2796 -29.7804 31.9021 -29.3143 -14.1727 39.4813 34.7804 44.1342 -24.1227 TIMING: 3824000 CPU: 12083.8, 0.00317294/step Wall: 12083.8, 0.00317294/step, 1.03649 hours remaining, 235.980469 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: 3824000 4006.8744 20332.7634 14447.0793 237.1854 -203496.9056 2651.7606 0.0000 0.0000 51974.6404 -109846.6020 298.6990 -161821.2424 -109491.0351 298.4209 -94.7526 -65.6000 762707.3911 -0.6490 -0.6719 PRESSURE: 3824200 0.586671 -137.588 150.897 -137.588 33.5275 64.9668 150.897 64.9665 64.0871 GPRESSURE: 3824200 4.21627 -88.3599 140.793 -146.453 132.032 146.179 181.605 49.0729 49.7177 PRESSAVG: 3824200 21.5227 37.7541 7.47459 37.7541 -11.2389 14.4259 7.47461 14.4258 0.00564127 GPRESSAVG: 3824200 23.5528 38.9176 5.96669 35.8997 -11.4757 15.8333 8.11775 15.5162 -2.19154 TIMING: 3824200 CPU: 12084.4, 0.00315816/step Wall: 12084.4, 0.00315816/step, 1.03149 hours remaining, 235.980469 MB of memory in use. ENERGY: 3824200 3961.9351 20379.5864 14454.6758 264.2041 -203552.0345 2752.9886 0.0000 0.0000 51691.6130 -110047.0314 297.0724 -161738.6444 -109693.3624 297.5068 32.7337 61.9888 760643.0004 3.4298 3.2952 LDB: ============= START OF LOAD BALANCING ============== 12096.9 LDB: ============== END OF LOAD BALANCING =============== 12096.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12097 LDB: ============= START OF LOAD BALANCING ============== 12097.3 LDB: Largest compute 7026 load 0.033411 is 17.1% of average load 0.195583 LDB: Average compute 0.004370 is 2.2% of average load 0.195583 LDB: TIME 12097.3 LOAD: AVG 0.195583 MAX 0.215183 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 12097.3 LOAD: AVG 0.195583 MAX 0.215183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: TIME 12097.3 LOAD: AVG 0.195583 MAX 0.215183 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: ============== END OF LOAD BALANCING =============== 12097.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12097.3 PRESSURE: 3824400 -352.224 2.8699 49.2179 2.8705 -296.299 -195.32 49.2181 -195.321 -334.802 GPRESSURE: 3824400 -306.369 39.5195 30.5256 -195.488 -234.905 -205.687 -27.2883 -86.9295 -353.977 PRESSAVG: 3824400 22.5028 -9.32444 34.2061 -9.3244 -36.7284 -69.5198 34.2061 -69.5198 -8.20182 GPRESSAVG: 3824400 21.1711 -10.3061 34.8563 -8.36486 -36.594 -67.3776 34.0243 -72.9035 -6.97435 TIMING: 3824400 CPU: 12085.1, 0.00322012/step Wall: 12085.1, 0.00322012/step, 1.05155 hours remaining, 236.128906 MB of memory in use. ENERGY: 3824400 4019.8772 20476.7349 14386.2135 249.2805 -202984.0874 2216.0579 0.0000 0.0000 51888.2033 -109747.7200 298.2022 -161635.9233 -109386.1836 298.1058 -327.7752 -298.4166 761614.7738 -7.4758 -7.4658 PRESSURE: 3824600 -133.531 210.126 -84.7181 210.126 -223.797 151.843 -84.7192 151.843 -326.725 GPRESSURE: 3824600 -58.4136 185.964 -148.636 82.401 -265.783 142.069 -4.52598 240.823 -276.274 PRESSAVG: 3824600 24.0415 -13.6894 1.13254 -13.6894 20.8494 -6.56597 1.13254 -6.5659 16.0102 GPRESSAVG: 3824600 24.1279 -14.0048 0.592437 -13.0011 19.7019 -8.22988 0.852731 -4.14002 16.5939 TIMING: 3824600 CPU: 12085.7, 0.00313121/step Wall: 12085.7, 0.00313121/step, 1.02234 hours remaining, 236.421875 MB of memory in use. ENERGY: 3824600 4112.5004 20598.4862 14508.3285 253.0591 -203666.4152 2706.7553 0.0000 0.0000 51871.4363 -109615.8494 298.1059 -161487.2856 -109259.1026 299.1427 -228.0178 -200.1569 760743.9912 20.3004 20.1412 PRESSURE: 3824800 66.1896 -83.4189 -205.458 -83.4193 243.47 -48.42 -205.458 -48.4204 151.295 GPRESSURE: 3824800 153.79 -143.106 -134.518 -178.671 242.324 -123.224 -140.275 -62.2011 159.254 PRESSAVG: 3824800 -4.40211 -42.9849 4.28704 -42.9849 5.74299 47.0217 4.28697 47.0217 8.17445 GPRESSAVG: 3824800 -3.87519 -41.9053 5.44751 -44.2524 7.11839 48.8291 4.32674 46.5874 6.70715 TIMING: 3824800 CPU: 12086.3, 0.00313476/step Wall: 12086.3, 0.00313476/step, 1.02332 hours remaining, 236.421875 MB of memory in use. ENERGY: 3824800 4052.1488 20409.6096 14425.9800 241.1000 -203753.6168 3058.7002 0.0000 0.0000 52071.7912 -109494.2870 299.2573 -161566.0782 -109141.4849 299.0258 153.6517 185.1226 761291.9974 3.1718 3.3168 PRESSURE: 3825000 92.5005 -62.4733 167.428 -62.4743 11.0263 148.774 167.427 148.775 4.06703 GPRESSURE: 3825000 175.509 81.9212 185.463 -117.272 93.0552 164.145 234.468 19.3882 -56.3199 PRESSAVG: 3825000 -37.7577 -28.3937 17.1148 -28.3937 -62.7587 -4.21857 17.1147 -4.21847 17.5582 GPRESSAVG: 3825000 -37.2003 -28.5372 15.3938 -27.8767 -63.2219 -5.68364 16.5272 -4.81151 18.1355 TIMING: 3825000 CPU: 12086.9, 0.00313281/step Wall: 12086.9, 0.00313281/step, 1.02251 hours remaining, 236.421875 MB of memory in use. ENERGY: 3825000 3992.7112 20631.7493 14422.2417 238.4228 -203539.0785 2699.2262 0.0000 0.0000 52066.5765 -109488.1509 299.2273 -161554.7275 -109125.4250 299.3395 35.8646 70.7481 761637.6410 -27.6527 -27.4289 PRESSURE: 3825200 217.624 -12.7392 -78.8955 -12.7392 72.756 -149.236 -78.8956 -149.236 316.62 GPRESSURE: 3825200 250.66 -37.579 -137.122 44.5487 131.279 -174.027 -171.24 22.3999 323.396 PRESSAVG: 3825200 6.64841 -40.9627 0.693589 -40.9627 -31.5688 -5.46757 0.693647 -5.46761 -4.05466 GPRESSAVG: 3825200 6.18395 -42.7536 4.86314 -38.8795 -31.3927 -4.25293 0.44853 -4.23639 -4.1102 TIMING: 3825200 CPU: 12087.6, 0.00314524/step Wall: 12087.6, 0.00314525/step, 1.0264 hours remaining, 236.421875 MB of memory in use. ENERGY: 3825200 3979.2227 20537.5416 14482.0361 242.6221 -203777.6299 2994.6674 0.0000 0.0000 52071.3363 -109470.2038 299.2547 -161541.5401 -109105.0746 299.4732 202.3335 235.1117 761566.6746 -9.6583 -9.7730 PRESSURE: 3825400 -68.8586 -129.841 -365.985 -129.841 -226.012 -127.215 -365.984 -127.214 72.2183 GPRESSURE: 3825400 22.3441 -215.334 -379.152 -22.6846 -169.527 -187.003 -314.264 -150.098 2.50468 PRESSAVG: 3825400 -12.9432 -15.5403 32.3925 -15.5402 -8.28334 -81.2572 32.3925 -81.2572 21.7215 GPRESSAVG: 3825400 -12.6243 -15.2309 31.9342 -16.6173 -8.66814 -81.5668 32.895 -82.8176 21.9902 TIMING: 3825400 CPU: 12088.2, 0.00313586/step Wall: 12088.2, 0.00313586/step, 1.02316 hours remaining, 236.421875 MB of memory in use. ENERGY: 3825400 3977.2463 20440.7284 14459.3197 248.8040 -203530.3748 2660.8569 0.0000 0.0000 52212.4918 -109530.9277 300.0659 -161743.4195 -109161.4180 299.4388 -74.2173 -48.2261 762519.2511 0.1650 0.2326 PRESSURE: 3825600 -114.157 262.625 -30.8323 262.625 -7.90454 -226.089 -30.832 -226.089 -81.9167 GPRESSURE: 3825600 -99.5557 315.328 -19.2295 203.464 -27.1278 -268.621 -29.9224 -186.885 -4.693 PRESSAVG: 3825600 -67.7533 32.882 22.3101 32.8821 24.2218 -16.2926 22.3101 -16.2926 7.70951 GPRESSAVG: 3825600 -68.3106 33.4111 20.2668 30.8684 24.1534 -15.0627 23.115 -15.5162 7.92539 TIMING: 3825600 CPU: 12088.8, 0.00314251/step Wall: 12088.8, 0.00314251/step, 1.02516 hours remaining, 236.660156 MB of memory in use. ENERGY: 3825600 3976.9087 20448.8416 14495.6113 267.0179 -203324.2943 2452.0122 0.0000 0.0000 52007.6620 -109676.2405 298.8887 -161683.9026 -109311.1069 298.8486 -67.9928 -43.7922 761915.1651 -11.9407 -12.0773 PRESSURE: 3825800 -204.473 -117.621 -82.0945 -117.62 -9.49892 166.16 -82.095 166.16 -13.0621 GPRESSURE: 3825800 -173.495 -101.872 -47.5362 -134.575 60.7252 181.119 -159.009 132.693 -27.8136 PRESSAVG: 3825800 -52.272 19.2873 47.4188 19.2873 19.136 -21.8109 47.4187 -21.8109 -14.324 GPRESSAVG: 3825800 -52.2584 18.3942 49.3851 22.6048 19.0403 -23.0515 46.1297 -20.3859 -14.538 TIMING: 3825800 CPU: 12089.5, 0.00312776/step Wall: 12089.5, 0.00312776/step, 1.02017 hours remaining, 236.660156 MB of memory in use. ENERGY: 3825800 3995.0874 20573.5419 14531.1703 239.0545 -203624.3467 2862.8883 0.0000 0.0000 51784.8962 -109637.7081 297.6085 -161422.6043 -109279.7074 298.6697 -75.6781 -46.8611 762904.6091 -15.8200 -15.9187 PRESSURE: 3826000 14.8111 309.213 184.88 309.213 37.5427 14.2381 184.88 14.2386 280.093 GPRESSURE: 3826000 22.5256 205.633 236.009 308.927 182.655 6.72782 100.876 -144.153 200.248 PRESSAVG: 3826000 -15.666 18.2194 37.869 18.2193 7.6994 24.7473 37.8691 24.7473 1.78177 GPRESSAVG: 3826000 -16.3326 18.1216 35.911 15.6312 9.11858 24.562 36.1671 21.8345 1.31177 TIMING: 3826000 CPU: 12090.1, 0.00315027/step Wall: 12090.1, 0.00315027/step, 1.02734 hours remaining, 236.660156 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: 3826000 3946.9268 20647.8080 14509.6568 234.3715 -203468.5663 2777.2087 0.0000 0.0000 52004.7903 -109347.8043 298.8722 -161352.5946 -108983.9256 299.1799 110.8155 135.1430 763019.8992 -2.0616 -1.9674 PRESSURE: 3826200 278.897 10.9336 -223.395 10.933 0.618138 148.739 -223.394 148.74 103.888 GPRESSURE: 3826200 266.119 88.9842 -127.913 78.3632 64.5379 163.853 -126.607 126.789 138.706 PRESSAVG: 3826200 45.0212 15.7195 -45.9896 15.7194 -2.75487 27.0664 -45.9896 27.0664 24.4366 GPRESSAVG: 3826200 44.4832 16.328 -45.0198 16.0993 -2.29846 27.3263 -42.7312 28.0843 24.5654 TIMING: 3826200 CPU: 12090.7, 0.00314752/step Wall: 12090.7, 0.00314752/step, 1.02627 hours remaining, 236.660156 MB of memory in use. ENERGY: 3826200 3954.9969 20574.8024 14488.0703 231.7872 -204060.7174 3389.3246 0.0000 0.0000 51955.8390 -109465.8970 298.5909 -161421.7360 -109114.3150 298.9532 127.8012 156.4541 762182.1599 22.2343 22.2500 PRESSURE: 3826400 61.278 -251.937 -112.065 -251.937 -301.51 -130.098 -112.065 -130.099 264.958 GPRESSURE: 3826400 149.609 -92.2563 -167.515 -192.724 -252.136 -57.1534 -23.4642 -98.7165 217.796 PRESSAVG: 3826400 -16.1735 -6.41432 0.263355 -6.41432 23.769 19.1881 0.26336 19.1883 15.8099 GPRESSAVG: 3826400 -15.2179 -6.69404 0.719016 -5.11822 22.4382 19.1826 -0.694116 18.4068 16.2027 TIMING: 3826400 CPU: 12091.3, 0.00314858/step Wall: 12091.3, 0.00314858/step, 1.02644 hours remaining, 236.660156 MB of memory in use. ENERGY: 3826400 3960.4082 20440.1570 14440.2450 247.9481 -203217.0809 2539.8112 0.0000 0.0000 52352.5253 -109235.9861 300.8707 -161588.5113 -108870.2945 299.3105 8.2420 38.4231 763599.2018 7.8018 7.8077 PRESSURE: 3826600 -171.028 -366.512 249.178 -366.512 153.584 127.621 249.178 127.62 247.71 GPRESSURE: 3826600 -40.8028 -368.673 165.539 -303.382 146.974 28.5143 293.328 6.87494 211.442 PRESSAVG: 3826600 -53.6955 -19.1124 55.4265 -19.1124 35.8296 55.3591 55.4264 55.3591 -5.75039 GPRESSAVG: 3826600 -53.8848 -18.3431 55.0211 -20.1017 36.1024 55.4036 56.0505 55.5971 -6.39559 TIMING: 3826600 CPU: 12092, 0.00314745/step Wall: 12092, 0.00314745/step, 1.0259 hours remaining, 236.660156 MB of memory in use. ENERGY: 3826600 3937.4645 20581.4077 14420.1989 260.9874 -203773.5926 2863.8702 0.0000 0.0000 52337.1886 -109372.4752 300.7825 -161709.6637 -109005.3849 299.4704 76.7555 105.8712 763612.3626 -7.8721 -8.0593 PRESSURE: 3826800 181.726 36.7376 271.906 36.7373 164.757 -183.972 271.905 -183.971 71.0488 GPRESSURE: 3826800 188.121 39.6294 211.641 21.7802 179.723 -115.697 179.921 -221.813 143.265 PRESSAVG: 3826800 -39.7756 -50.5509 54.6057 -50.551 50.7441 4.46472 54.6057 4.46468 -4.00911 GPRESSAVG: 3826800 -41.1829 -50.1551 53.9549 -50.0397 51.053 5.44396 56.0122 5.19523 -3.09964 TIMING: 3826800 CPU: 12092.6, 0.00313545/step Wall: 12092.6, 0.00313545/step, 1.02181 hours remaining, 236.660156 MB of memory in use. ENERGY: 3826800 3941.4996 20444.4805 14459.6681 239.2343 -203511.9106 2686.7990 0.0000 0.0000 52500.2239 -109240.0053 301.7195 -161740.2291 -108870.1416 299.6091 139.1771 170.3695 761935.7795 2.3198 2.2568 PRESSURE: 3827000 -164.928 -45.713 149.686 -45.7139 -52.0099 -106.371 149.686 -106.372 19.8726 GPRESSURE: 3827000 22.937 60.3984 120.516 -67.479 -102.107 -107.131 108.36 23.7429 -36.0355 PRESSAVG: 3827000 24.5734 -13.7225 -30.8442 -13.7224 -11.9703 -6.32252 -30.8442 -6.32251 5.72609 GPRESSAVG: 3827000 27.2025 -14.1205 -29.5681 -14.4521 -11.4468 -8.33065 -32.2053 -6.45331 2.99436 TIMING: 3827000 CPU: 12093.2, 0.00315474/step Wall: 12093.2, 0.00315474/step, 1.02792 hours remaining, 236.660156 MB of memory in use. ENERGY: 3827000 3914.2364 20579.7411 14462.9303 252.3212 -203300.2212 2699.0967 0.0000 0.0000 52100.8229 -109291.0726 299.4241 -161391.8955 -108925.8250 299.9771 -65.6885 -38.4019 762483.7417 6.1097 6.2500 PRESSURE: 3827200 111.765 -253.898 -237.513 -253.898 468.141 95.801 -237.512 95.8008 -638.091 GPRESSURE: 3827200 104.937 -261.817 -221.373 -180.353 357.614 91.0138 -303.012 16.0329 -441.45 PRESSAVG: 3827200 -11.2806 -53.793 -11.2956 -53.7929 62.9233 16.9253 -11.2956 16.9253 6.21124 GPRESSAVG: 3827200 -12.5061 -55.1082 -10.6842 -52.5399 61.1739 17.3282 -11.1099 18.0393 8.87459 TIMING: 3827200 CPU: 12093.9, 0.00314759/step Wall: 12093.9, 0.00314759/step, 1.02542 hours remaining, 236.660156 MB of memory in use. ENERGY: 3827200 4024.9744 20516.9877 14482.9733 238.7103 -203233.0640 2522.4455 0.0000 0.0000 52241.6369 -109205.3359 300.2334 -161446.9728 -108843.9364 299.5275 -19.3949 7.0337 761235.6887 19.2846 19.1808 PRESSURE: 3827400 -176.34 -99.3787 -152.614 -99.3787 -15.8763 153.904 -152.614 153.905 125.805 GPRESSURE: 3827400 -146.568 -226.403 -231.6 -130.062 90.8828 111.983 -179.4 175.251 93.8968 PRESSAVG: 3827400 12.3028 -72.4612 33.4743 -72.4613 -29.9562 24.4264 33.4743 24.4263 -11.038 GPRESSAVG: 3827400 12.5351 -71.7491 31.5125 -74.3921 -29.0555 22.8314 33.4546 25.3052 -12.3407 TIMING: 3827400 CPU: 12094.5, 0.00314977/step Wall: 12094.5, 0.00314977/step, 1.02595 hours remaining, 236.660156 MB of memory in use. ENERGY: 3827400 4011.4768 20498.0970 14444.8621 251.3730 -202867.6111 2410.7024 0.0000 0.0000 51845.4538 -109405.6461 297.9565 -161251.0998 -109032.4753 299.2290 -22.1371 12.7371 761186.9311 -9.5638 -9.6204 PRESSURE: 3827600 188.156 -312.745 -105.941 -312.747 125.878 34.661 -105.941 34.6613 -162.936 GPRESSURE: 3827600 230.678 -204.739 -92.5199 -264.183 204.114 2.0028 -186.078 -2.76736 -208.953 PRESSAVG: 3827600 -19.1843 -61.8714 -44.6687 -61.8714 41.0945 16.3342 -44.6687 16.3342 -6.16223 GPRESSAVG: 3827600 -20.3805 -61.847 -43.9807 -60.2676 42.4713 17.5976 -44.4906 15.6523 -5.95075 TIMING: 3827600 CPU: 12095.1, 0.00313649/step Wall: 12095.1, 0.00313649/step, 1.02145 hours remaining, 236.660156 MB of memory in use. ENERGY: 3827600 4032.1175 20382.4428 14419.9144 243.5466 -203194.5051 2466.3226 0.0000 0.0000 52139.8171 -109510.3442 299.6482 -161650.1613 -109148.2096 298.7517 50.3662 75.2799 761492.2298 5.2493 5.3800 PRESSURE: 3827800 -243.084 155.94 180.953 155.94 316.58 109.975 180.953 109.975 -455.029 GPRESSURE: 3827800 -137.215 110.368 170.169 188.626 252.048 110.974 190.415 163.771 -405.298 PRESSAVG: 3827800 -28.3076 -48.1268 43.6256 -48.1268 78.8279 65.5509 43.6256 65.5508 -9.01606 GPRESSAVG: 3827800 -27.6416 -47.3201 44.0513 -49.089 78.5596 65.4695 44.7128 61.8075 -9.61771 TIMING: 3827800 CPU: 12095.7, 0.00315065/step Wall: 12095.7, 0.00315065/step, 1.02589 hours remaining, 236.660156 MB of memory in use. ENERGY: 3827800 3993.7150 20441.4471 14375.7272 240.9558 -203572.3174 2624.3359 0.0000 0.0000 52153.7726 -109742.3639 299.7284 -161896.1365 -109379.3398 298.3891 -127.1779 -96.8215 761090.3579 13.8347 13.7668 PRESSURE: 3828000 -329.278 130.412 -43.3959 130.412 -23.9509 -5.85084 -43.3952 -5.85095 -27.1474 GPRESSURE: 3828000 -368.358 31.1465 -28.0262 -29.7304 -9.67178 -22.2712 -74.2598 91.9071 80.0304 PRESSAVG: 3828000 -45.9824 -22.2346 -22.7178 -22.2346 36.1685 3.19862 -22.7178 3.19863 3.62558 GPRESSAVG: 3828000 -45.3934 -23.7943 -21.4992 -22.9299 34.5381 5.7994 -25.48 7.0979 4.68934 TIMING: 3828000 CPU: 12096.4, 0.00314406/step Wall: 12096.4, 0.00314406/step, 1.02357 hours remaining, 236.660156 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: 3828000 4030.7457 20543.3376 14486.5316 228.0459 -203218.5277 2564.8831 0.0000 0.0000 51902.1471 -109462.8368 298.2824 -161364.9839 -109108.5474 298.8958 -126.7922 -99.3332 764034.7694 -2.0627 -2.0553 PRESSURE: 3828200 -94.1475 -87.3879 -78.8057 -87.3874 -21.4607 -1.80527 -78.8056 -1.80571 -211.67 GPRESSURE: 3828200 -13.568 -69.2808 -27.1272 -58.7731 -38.437 -8.52973 -58.3408 -123.981 -172.77 PRESSAVG: 3828200 -40.7487 22.7809 -11.375 22.7809 47.2455 -20.041 -11.375 -20.041 8.33874 GPRESSAVG: 3828200 -41.5366 22.5628 -12.0259 23.9933 48.5345 -22.0313 -9.70576 -20.8835 8.09771 TIMING: 3828200 CPU: 12097, 0.00314768/step Wall: 12097, 0.00314768/step, 1.02457 hours remaining, 236.660156 MB of memory in use. ENERGY: 3828200 3997.9582 20478.0860 14421.3019 255.8186 -203313.3667 2780.2253 0.0000 0.0000 51956.6784 -109423.2983 298.5957 -161379.9767 -109061.2682 298.6644 -109.0927 -74.9249 764320.8779 4.9452 5.0319 LDB: ============= START OF LOAD BALANCING ============== 12109.5 LDB: ============== END OF LOAD BALANCING =============== 12109.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12109.5 LDB: ============= START OF LOAD BALANCING ============== 12109.9 LDB: Largest compute 7076 load 0.030725 is 15.7% of average load 0.195673 LDB: Average compute 0.004366 is 2.2% of average load 0.195673 LDB: TIME 12109.9 LOAD: AVG 0.195673 MAX 0.214559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.773 MB LDB: TIME 12109.9 LOAD: AVG 0.195673 MAX 0.214559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: TIME 12109.9 LOAD: AVG 0.195673 MAX 0.214559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: ============== END OF LOAD BALANCING =============== 12109.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12109.9 PRESSURE: 3828400 2.69401 -216.195 -193.718 -216.195 46.0304 27.0337 -193.717 27.0332 56.8823 GPRESSURE: 3828400 97.3245 -330.816 -191.017 -109.009 70.9957 41.567 -231.88 -115.873 6.65655 PRESSAVG: 3828400 -16.3699 11.9062 57.6409 11.9062 -27.6581 -5.1191 57.6409 -5.11907 -10.2677 GPRESSAVG: 3828400 -15.9807 13.5568 58.0148 11.0679 -27.474 -3.77208 58.1696 -6.78939 -10.2646 TIMING: 3828400 CPU: 12097.6, 0.00322805/step Wall: 12097.6, 0.00322805/step, 1.05055 hours remaining, 236.480469 MB of memory in use. ENERGY: 3828400 4083.3131 20327.7906 14447.7790 264.7240 -202973.2368 2580.3030 0.0000 0.0000 52123.9548 -109145.3722 299.5571 -161269.3270 -108781.4736 299.1391 35.2022 58.3256 764591.2501 -18.0986 -17.9064 PRESSURE: 3828600 -145.855 27.0465 73.8615 27.0466 -144.415 -10.3681 73.862 -10.3676 -189.674 GPRESSURE: 3828600 -141.06 -13.8393 126.339 21.4169 -143.191 32.0136 62.2522 11.2496 -102.339 PRESSAVG: 3828600 -16.6911 14.9292 4.65137 14.9292 24.4203 1.25815 4.65136 1.25815 -0.0146011 GPRESSAVG: 3828600 -16.8164 15.2497 3.19368 15.6186 24.0942 0.495982 3.83462 3.41181 0.204535 TIMING: 3828600 CPU: 12098.3, 0.00315863/step Wall: 12098.3, 0.00315863/step, 1.02778 hours remaining, 236.550781 MB of memory in use. ENERGY: 3828600 4003.6023 20590.7070 14408.2569 238.1797 -202940.4983 2457.4776 0.0000 0.0000 52070.0379 -109172.2370 299.2472 -161242.2749 -108810.4631 299.5015 -159.9812 -128.8632 763263.3827 2.5715 2.4941 PRESSURE: 3828800 -46.2025 -153.342 -42.2847 -153.342 -110.739 37.8689 -42.286 37.8693 -88.8919 GPRESSURE: 3828800 -18.7684 -264.311 -94.7969 -177.6 -104.223 43.8101 -16.7636 -123.235 -51.516 PRESSAVG: 3828800 -5.68592 -16.5871 23.1984 -16.587 -49.7277 25.6833 23.1984 25.6832 13.6729 GPRESSAVG: 3828800 -5.12468 -17.7749 24.0541 -16.9896 -49.3958 26.0414 22.838 24.9087 12.9989 TIMING: 3828800 CPU: 12098.9, 0.00314459/step Wall: 12098.9, 0.00314459/step, 1.02304 hours remaining, 236.550781 MB of memory in use. ENERGY: 3828800 4122.5590 20513.7049 14459.5958 256.8063 -203447.4646 2684.3723 0.0000 0.0000 52214.6024 -109195.8238 300.0780 -161410.4262 -108830.4761 299.5875 -81.9443 -58.1690 760918.4333 -13.9136 -13.8405 PRESSURE: 3829000 213.534 -7.70345 172.07 -7.70445 -170.966 -81.3368 172.07 -81.3368 401.151 GPRESSURE: 3829000 222.851 -44.7482 215.407 -34.1313 -134.866 -90.8499 152.5 -68.3799 437.139 PRESSAVG: 3829000 -5.2061 -33.6131 -22.8369 -33.6131 1.22362 -8.52368 -22.837 -8.52371 -14.5933 GPRESSAVG: 3829000 -5.56953 -33.6381 -24.3737 -32.405 1.21304 -6.79658 -21.526 -8.82284 -14.4103 TIMING: 3829000 CPU: 12099.5, 0.00315074/step Wall: 12099.5, 0.00315074/step, 1.02487 hours remaining, 236.550781 MB of memory in use. ENERGY: 3829000 4111.4782 20546.6407 14483.1878 233.8468 -203028.7396 2536.2826 0.0000 0.0000 51797.7408 -109319.5626 297.6823 -161117.3035 -108961.5155 299.1635 147.9066 175.0410 763048.4231 -6.1919 -6.2556 PRESSURE: 3829200 -576.174 5.29073 -127.864 5.29116 -166.949 -84.6223 -127.865 -84.6223 -240.523 GPRESSURE: 3829200 -467.401 12.4362 -132.743 -62.0808 -186.085 -124.186 -109.846 -78.1106 -253.416 PRESSAVG: 3829200 -14.1382 8.46464 1.98199 8.46474 31.3871 -23.6085 1.98203 -23.6085 19.3174 GPRESSAVG: 3829200 -13.8325 9.32456 3.13994 7.62652 30.9466 -24.7942 0.62126 -22.9788 19.2188 TIMING: 3829200 CPU: 12100.2, 0.00314906/step Wall: 12100.2, 0.00314906/step, 1.02415 hours remaining, 236.550781 MB of memory in use. ENERGY: 3829200 4069.1800 20433.2081 14460.6063 241.3180 -202911.7296 2501.0048 0.0000 0.0000 51972.9118 -109233.5006 298.6890 -161206.4124 -108865.9501 299.5953 -327.8818 -302.3006 762990.7397 12.1888 12.1110 PRESSURE: 3829400 51.1148 30.9507 50.8217 30.9505 -146.681 -48.2639 50.8219 -48.2629 170.861 GPRESSURE: 3829400 84.9371 145.683 -22.2352 35.8819 -116.404 -85.4829 115.349 -33.0141 189.394 PRESSAVG: 3829400 -30.9661 -61.4299 14.6869 -61.4299 25.6307 -21.4335 14.6868 -21.4334 24.1123 GPRESSAVG: 3829400 -31.217 -61.8828 13.6303 -61.5538 25.7122 -22.0796 15.0021 -20.5016 24.0626 TIMING: 3829400 CPU: 12100.8, 0.00314251/step Wall: 12100.8, 0.00314251/step, 1.02184 hours remaining, 236.550781 MB of memory in use. ENERGY: 3829400 3954.1326 20397.0171 14447.7540 247.0256 -202846.4944 2526.2081 0.0000 0.0000 51969.6155 -109304.7415 298.6701 -161274.3570 -108941.5044 299.0908 25.0983 52.6423 762238.1539 6.2590 6.1859 PRESSURE: 3829600 138.419 91.1522 0.941218 91.1515 -105.128 110.169 0.94108 110.17 -326.652 GPRESSURE: 3829600 156.517 14.7998 101.68 120.437 -119.702 95.8367 -100.251 212.517 -245.791 PRESSAVG: 3829600 14.152 21.4626 49.2144 21.4627 -15.1529 36.4458 49.2145 36.4458 1.51276 GPRESSAVG: 3829600 13.5818 21.4141 50.4516 20.6206 -14.415 37.1807 49.0974 36.2719 1.44728 TIMING: 3829600 CPU: 12101.4, 0.00314906/step Wall: 12101.4, 0.00314906/step, 1.02379 hours remaining, 236.550781 MB of memory in use. ENERGY: 3829600 4038.5875 20366.1792 14521.7083 246.7700 -203297.6320 2642.5529 0.0000 0.0000 52030.8022 -109451.0318 299.0217 -161481.8340 -109095.8999 299.2792 -97.7868 -69.6587 760716.7799 0.1706 0.2047 PRESSURE: 3829800 126.758 -123.104 127.477 -123.104 -218.544 -113.573 127.478 -113.573 -265.587 GPRESSURE: 3829800 83.5076 -161.699 61.3325 -143.027 -98.9204 -33.6725 73.541 -66.4639 -248.331 PRESSAVG: 3829800 -6.10879 -44.5794 35.7202 -44.5794 -16.0393 26.804 35.7202 26.804 8.1997 GPRESSAVG: 3829800 -6.36134 -47.0933 33.6527 -43.609 -16.8701 27.4084 35.2069 24.3849 9.57691 TIMING: 3829800 CPU: 12102.1, 0.00314713/step Wall: 12102.1, 0.00314713/step, 1.02299 hours remaining, 236.550781 MB of memory in use. ENERGY: 3829800 4038.3079 20330.9305 14439.9439 228.2824 -202905.9411 2425.5219 0.0000 0.0000 52030.9999 -109411.9546 299.0229 -161442.9545 -109051.8620 299.4996 -119.1244 -87.9148 762069.1593 -4.6495 -4.5515 PRESSURE: 3830000 -305.058 -95.6992 -319.708 -95.6994 190.087 84.461 -319.708 84.4607 115.662 GPRESSURE: 3830000 -142.248 -96.1961 -324.697 33.603 139.493 39.4809 -235.657 -40.9378 80.121 PRESSAVG: 3830000 -46.0868 -72.0373 -19.6664 -72.0373 6.6355 -4.4886 -19.6664 -4.48859 5.23449 GPRESSAVG: 3830000 -45.6404 -69.7141 -19.9521 -73.438 6.0896 -3.20315 -18.0527 -2.99621 4.71172 TIMING: 3830000 CPU: 12102.7, 0.00318815/step Wall: 12102.7, 0.00318815/step, 1.03615 hours remaining, 236.550781 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: 3830000 3926.2281 20286.3923 14471.6469 246.9520 -203226.8746 2783.9227 0.0000 0.0000 52032.8071 -109478.9254 299.0333 -161511.7324 -109107.1444 299.4077 0.2303 25.7888 761538.4311 -11.4056 -11.6130 PRESSURE: 3830200 80.405 -47.0021 -263.728 -47.0026 25.5939 -140.969 -263.728 -140.969 -59.1347 GPRESSURE: 3830200 106.232 -176.711 -160.269 -24.4599 115.314 -190.218 -236.759 -52.7083 -94.9371 PRESSAVG: 3830200 34.0208 -46.8028 19.5912 -46.8027 -54.5559 38.762 19.5913 38.762 26.9037 GPRESSAVG: 3830200 33.4811 -49.387 19.8343 -45.3162 -53.1715 36.8191 17.8471 37.5316 26.6458 TIMING: 3830200 CPU: 12103.3, 0.00318123/step Wall: 12103.3, 0.00318123/step, 1.03372 hours remaining, 236.550781 MB of memory in use. ENERGY: 3830200 4051.7857 20358.8995 14390.5607 265.7992 -202898.4690 2659.4533 0.0000 0.0000 51610.8914 -109561.0792 296.6085 -161171.9706 -109206.2985 298.4823 15.6214 42.2029 761374.8944 2.1229 2.3185 PRESSURE: 3830400 -411.701 27.3425 24.4989 27.343 -291.576 -93.1004 24.499 -93.0998 -46.6074 GPRESSURE: 3830400 -391.923 -84.0802 52.7714 103.996 -274.409 -1.78047 24.6911 -69.5808 -7.40939 PRESSAVG: 3830400 -77.0225 -71.5189 7.55719 -71.5189 -18.2558 -56.7994 7.55725 -56.7995 -33.545 GPRESSAVG: 3830400 -76.6356 -69.1324 8.07322 -72.0913 -19.9086 -56.5325 10.3888 -57.4198 -32.4449 TIMING: 3830400 CPU: 12104, 0.00317021/step Wall: 12104, 0.00317021/step, 1.02997 hours remaining, 236.550781 MB of memory in use. ENERGY: 3830400 3963.6553 20394.8714 14367.1564 255.6057 -203275.5720 2699.0327 0.0000 0.0000 52049.9087 -109545.3417 299.1315 -161595.2505 -109180.5940 298.7138 -249.9613 -224.5805 763820.4430 -42.9411 -42.9964 PRESSURE: 3830600 -39.1399 -273.36 -28.8175 -273.36 301.164 -137.81 -28.8176 -137.811 243.104 GPRESSURE: 3830600 27.884 -242.841 -73.2533 -293.592 283.458 -178.994 61.2688 3.44393 289.1 PRESSAVG: 3830600 -43.169 -43.9874 2.04877 -43.9874 27.7831 4.28157 2.04881 4.28155 -12.2429 GPRESSAVG: 3830600 -44.6604 -44.1596 2.07236 -42.6009 28.3592 3.04525 0.844756 6.6022 -11.4576 TIMING: 3830600 CPU: 12104.6, 0.00316014/step Wall: 12104.6, 0.00316014/step, 1.02652 hours remaining, 236.550781 MB of memory in use. ENERGY: 3830600 3991.4902 20538.0163 14404.0170 241.9163 -203411.9768 2798.7369 0.0000 0.0000 51952.3011 -109485.4991 298.5706 -161437.8002 -109120.9092 298.8100 168.3760 200.1473 760903.8393 -9.2096 -9.2530 PRESSURE: 3830800 -142.684 102.31 -150.229 102.31 -148.693 106.569 -150.229 106.569 -193.202 GPRESSURE: 3830800 -97.8686 45.8367 -109.401 115.574 -87.3003 77.5082 -108.233 185.012 -207.048 PRESSAVG: 3830800 -26.4234 6.98734 -16.8818 6.9874 41.9114 18.9224 -16.8818 18.9224 30.0867 GPRESSAVG: 3830800 -25.1501 4.88153 -17.8213 5.20683 42.2119 17.4426 -17.6398 20.2297 28.7713 TIMING: 3830800 CPU: 12105.2, 0.00316621/step Wall: 12105.2, 0.00316621/step, 1.02832 hours remaining, 236.550781 MB of memory in use. ENERGY: 3830800 3995.0527 20290.9175 14502.0750 263.4085 -202891.3976 2425.6297 0.0000 0.0000 52059.3118 -109355.0025 299.1856 -161414.3142 -108988.9786 299.4874 -161.5263 -130.7391 762892.0166 15.1916 15.2777 PRESSURE: 3831000 -601.251 25.0902 81.3445 25.091 -206.679 137.424 81.345 137.425 -268.01 GPRESSURE: 3831000 -622.453 -84.1895 50.5052 47.9696 -148.771 61.5273 35.4869 85.8127 -197.648 PRESSAVG: 3831000 -31.6786 21.8147 39.3521 21.8147 3.58939 -25.9098 39.352 -25.9098 14.7437 GPRESSAVG: 3831000 -31.7772 22.9002 41.7226 20.7254 3.20011 -22.9296 37.8225 -28.1423 15.1204 TIMING: 3831000 CPU: 12105.9, 0.00315884/step Wall: 12105.9, 0.00315884/step, 1.02575 hours remaining, 236.550781 MB of memory in use. ENERGY: 3831000 4000.6766 20248.1912 14470.3261 235.3962 -202847.7853 2204.1802 0.0000 0.0000 52333.3864 -109355.6286 300.7607 -161689.0151 -108989.7633 299.3933 -358.6465 -322.9571 760404.6976 -4.4485 -4.4856 PRESSURE: 3831200 -318.25 -77.7969 -100.544 -77.7967 -63.2307 -71.0887 -100.543 -71.087 107.656 GPRESSURE: 3831200 -254.172 -29.7537 -56.8624 -86.1912 -35.8551 -2.46891 -164.699 88.8523 94.0898 PRESSAVG: 3831200 -29.1713 -14.9076 -12.8024 -14.9076 42.5322 32.3039 -12.8024 32.3039 21.8757 GPRESSAVG: 3831200 -29.4641 -15.4973 -13.3449 -13.2615 43.1926 32.0732 -11.4392 33.7464 21.6913 TIMING: 3831200 CPU: 12106.5, 0.00314876/step Wall: 12106.5, 0.00314876/step, 1.0223 hours remaining, 236.550781 MB of memory in use. ENERGY: 3831200 4000.4236 20419.6708 14446.5000 234.7132 -203269.0738 2437.7448 0.0000 0.0000 52348.5846 -109381.4367 300.8480 -161730.0213 -109009.1150 299.5663 -91.2750 -65.3124 762156.9289 11.7455 11.8066 PRESSURE: 3831400 84.0801 -10.3862 35.2005 -10.386 -67.1486 -253.479 35.2006 -253.48 7.88429 GPRESSURE: 3831400 52.0806 39.3714 18.8354 -3.97934 42.9233 -351.473 48.9107 -257.597 17.667 PRESSAVG: 3831400 -9.19918 -41.7157 49.7761 -41.7156 37.0389 -9.59689 49.7762 -9.59693 10.2041 GPRESSAVG: 3831400 -7.69924 -39.2746 50.0479 -41.599 37.317 -8.29047 48.3352 -11.0455 9.68753 TIMING: 3831400 CPU: 12107.1, 0.00314969/step Wall: 12107.1, 0.00314969/step, 1.02243 hours remaining, 236.550781 MB of memory in use. ENERGY: 3831400 3925.3823 20489.1306 14524.2281 218.5331 -203303.3632 2837.9034 0.0000 0.0000 52064.4834 -109243.7022 299.2153 -161308.1856 -108874.5205 299.4396 8.2720 37.5570 762035.8318 12.6813 13.1018 PRESSURE: 3831600 -211.947 -255.028 -175.036 -255.028 -115.563 31.6509 -175.035 31.6504 -150.572 GPRESSURE: 3831600 -195.787 -157.967 -141.931 -223 -33.456 -50.118 -168.755 43.9511 -165.754 PRESSAVG: 3831600 -30.1286 -81.9946 46.6828 -81.9946 10.2422 -38.3529 46.6829 -38.3529 -4.42741 GPRESSAVG: 3831600 -31.65 -84.457 46.4495 -81.9856 9.38206 -39.8485 46.2793 -39.1415 -2.0109 TIMING: 3831600 CPU: 12107.7, 0.0031219/step Wall: 12107.7, 0.0031219/step, 1.01323 hours remaining, 236.550781 MB of memory in use. ENERGY: 3831600 4033.3341 20649.9154 14463.6593 238.9319 -202701.0820 2199.9111 0.0000 0.0000 51935.7547 -109179.5754 298.4755 -161115.3301 -108832.4772 299.2003 -159.3607 -131.6657 763313.9890 -8.1046 -8.0930 PRESSURE: 3831800 -80.7582 45.9539 -103.433 45.9536 -227.787 -12.5799 -103.433 -12.58 -88.7622 GPRESSURE: 3831800 -89.6965 36.5436 -113.516 -14.7741 -169.804 18.1195 -67.4835 18.5937 -68.0728 PRESSAVG: 3831800 -30.1232 -0.627676 -31.0565 -0.627696 21.75 -22.856 -31.0565 -22.856 -6.02163 GPRESSAVG: 3831800 -28.9165 0.95812 -33.2394 -1.13587 21.9384 -22.7639 -30.9752 -21.1772 -7.24336 TIMING: 3831800 CPU: 12108.4, 0.00314954/step Wall: 12108.4, 0.00314954/step, 1.02203 hours remaining, 236.550781 MB of memory in use. ENERGY: 3831800 3923.1635 20463.6909 14503.2727 253.8584 -203277.8121 2563.5793 0.0000 0.0000 52279.5402 -109290.7071 300.4512 -161570.2473 -108919.2857 299.3128 -132.4357 -109.1910 763812.7896 -4.7983 -4.7405 PRESSURE: 3832000 -146.054 -133.785 -65.2254 -133.785 -157.138 -303.979 -65.2248 -303.979 -187.673 GPRESSURE: 3832000 -114.626 76.3192 -23.2892 -79.3582 -135.189 -395.455 -154.617 -307.248 -153.016 PRESSAVG: 3832000 -21.6555 -14.9737 -11.1101 -14.9737 15.9949 26.055 -11.1101 26.0549 10.1415 GPRESSAVG: 3832000 -22.5424 -13.031 -9.59717 -16.3004 15.4238 26.1464 -10.0747 24.9146 11.6329 TIMING: 3832000 CPU: 12109, 0.00315419/step Wall: 12109, 0.00315419/step, 1.02336 hours remaining, 236.550781 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: 3832000 3976.9945 20539.9836 14493.5798 231.3634 -203582.3327 2678.2847 0.0000 0.0000 52190.0925 -109472.0342 299.9372 -161662.1267 -109105.2806 298.9437 -163.6218 -134.2769 762585.4699 1.4936 1.5048 PRESSURE: 3832200 -97.284 -23.3728 -72.5837 -23.3723 202.252 56.1317 -72.5829 56.1306 112.033 GPRESSURE: 3832200 -106.919 1.92416 -70.7661 -21.6656 241.991 -4.671 -168.617 28.3206 177.244 PRESSAVG: 3832200 -38.457 -46.274 -5.66351 -46.274 50.627 -7.34909 -5.66341 -7.34914 14.492 GPRESSAVG: 3832200 -38.4454 -49.0392 -5.73931 -43.7907 51.422 -7.13634 -6.87605 -6.77734 13.8136 TIMING: 3832200 CPU: 12109.6, 0.00313003/step Wall: 12109.6, 0.00313002/step, 1.01535 hours remaining, 236.550781 MB of memory in use. ENERGY: 3832200 3913.5648 20453.3628 14465.0745 250.1457 -203757.0325 2909.4018 0.0000 0.0000 52121.3055 -109644.1773 299.5419 -161765.4828 -109289.4581 299.4042 72.3339 104.1050 763203.0132 8.8873 8.9300 LDB: ============= START OF LOAD BALANCING ============== 12122.2 LDB: ============== END OF LOAD BALANCING =============== 12122.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12122.2 LDB: ============= START OF LOAD BALANCING ============== 12122.5 LDB: Largest compute 7066 load 0.032399 is 16.6% of average load 0.195615 LDB: Average compute 0.004368 is 2.2% of average load 0.195615 LDB: TIME 12122.5 LOAD: AVG 0.195615 MAX 0.214082 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.383 MB LDB: TIME 12122.5 LOAD: AVG 0.195615 MAX 0.214082 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: TIME 12122.5 LOAD: AVG 0.195615 MAX 0.214082 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: ============== END OF LOAD BALANCING =============== 12122.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12122.5 PRESSURE: 3832400 -378.233 -36.437 -265.02 -36.4375 -330.761 -259.619 -265.02 -259.618 -37.0422 GPRESSURE: 3832400 -340.87 21.4139 -259.928 -174.144 -287.604 -276.763 -179.477 -186.623 -34.8906 PRESSAVG: 3832400 8.30872 -35.3081 -20.3493 -35.3081 -2.1598 10.9582 -20.3494 10.9582 -2.91356 GPRESSAVG: 3832400 9.09315 -35.6728 -21.3801 -34.9436 -2.92885 10.2093 -19.8979 12.2327 -3.38991 TIMING: 3832400 CPU: 12110.3, 0.00320424/step Wall: 12110.3, 0.00320424/step, 1.03924 hours remaining, 235.757812 MB of memory in use. ENERGY: 3832400 4036.9053 20540.5413 14469.2072 258.6987 -203305.6246 2453.0180 0.0000 0.0000 52113.6963 -109433.5576 299.4981 -161547.2539 -109063.8414 298.8129 -248.6790 -221.1215 762420.1212 1.0785 0.9248 PRESSURE: 3832600 -256.542 79.3569 -39.0031 79.3571 -10.8759 137.708 -39.0031 137.707 -85.6371 GPRESSURE: 3832600 -111.596 -56.3887 -38.1734 98.8061 -73.4757 87.3814 -129.633 151.673 -65.6196 PRESSAVG: 3832600 -1.77028 -14.077 -34.3497 -14.077 36.413 -3.83493 -34.3497 -3.83495 7.39461 GPRESSAVG: 3832600 -2.21707 -14.4878 -34.347 -14.2229 36.3282 -3.09592 -32.9461 -4.04718 8.55579 TIMING: 3832600 CPU: 12110.9, 0.0031497/step Wall: 12110.9, 0.0031497/step, 1.02138 hours remaining, 235.960938 MB of memory in use. ENERGY: 3832600 4008.8421 20611.2046 14439.0779 264.6626 -203259.6347 2572.3715 0.0000 0.0000 51931.2828 -109432.1930 298.4498 -161363.4758 -109075.0903 299.2137 -117.6849 -83.5637 762738.8111 14.0124 14.2223 PRESSURE: 3832800 -34.6765 -186.891 79.39 -186.892 70.8701 -291.478 79.3892 -291.479 -35.2571 GPRESSURE: 3832800 -38.7955 -56.1901 49.0076 -135.639 99.923 -296.412 -48.9637 -330.262 45.4651 PRESSAVG: 3832800 -27.6369 -20.9417 -17.4379 -20.9416 25.7552 10.1084 -17.4379 10.1084 10.9351 GPRESSAVG: 3832800 -26.3869 -20.2218 -17.1565 -21.8181 25.9993 8.76931 -18.7357 8.71756 9.45891 TIMING: 3832800 CPU: 12111.5, 0.00315813/step Wall: 12111.5, 0.00315813/step, 1.02394 hours remaining, 235.960938 MB of memory in use. ENERGY: 3832800 3957.1418 20530.0073 14440.4008 251.5535 -203557.7454 2700.9065 0.0000 0.0000 51998.2299 -109679.5055 298.8345 -161677.7354 -109314.1686 298.9251 0.3122 35.5309 762207.0965 3.0178 3.0238 PRESSURE: 3833000 -44.1224 -105.445 6.51406 -105.445 -244.353 -17.7779 6.51374 -17.7787 83.8883 GPRESSURE: 3833000 24.8087 -63.9783 32.9719 -58.7948 -193.605 -58.2759 -1.61877 -55.2511 19.13 PRESSAVG: 3833000 25.1112 8.37469 -11.0809 8.37467 19.3741 -9.12917 -11.0809 -9.12917 20.7636 GPRESSAVG: 3833000 22.817 8.14751 -11.3106 9.3964 19.8781 -8.86925 -9.79511 -10.5445 22.2669 TIMING: 3833000 CPU: 12112.2, 0.00313664/step Wall: 12112.2, 0.00313664/step, 1.01679 hours remaining, 235.960938 MB of memory in use. ENERGY: 3833000 4028.6993 20537.5720 14406.4633 262.2780 -203991.8992 2991.6741 0.0000 0.0000 51956.5812 -109808.6313 298.5952 -161765.2125 -109447.6188 298.9602 -68.1957 -49.8888 761614.9005 21.7496 21.6540 PRESSURE: 3833200 377.882 -100.967 178.233 -100.968 -196.274 234.871 178.232 234.87 -50.5791 GPRESSURE: 3833200 317.391 -167.127 233.651 -97.2242 -59.113 139.344 224.058 273.687 -41.0304 PRESSAVG: 3833200 -43.4356 -56.46 8.05897 -56.46 -11.5342 -13.148 8.05906 -13.1481 9.15796 GPRESSAVG: 3833200 -42.0496 -56.1566 8.29846 -56.027 -11.1772 -13.6244 7.31139 -12.3928 7.50369 TIMING: 3833200 CPU: 12112.8, 0.00316025/step Wall: 12112.8, 0.00316025/step, 1.02427 hours remaining, 235.960938 MB of memory in use. ENERGY: 3833200 3960.7094 20622.7243 14405.3201 223.6703 -203610.7774 2570.3666 0.0000 0.0000 51999.1506 -109828.8361 298.8398 -161827.9867 -109471.9184 298.4784 43.6763 72.4159 761542.8477 -15.2706 -15.2410 PRESSURE: 3833400 -203.346 59.1726 -56.0577 59.1734 -144.118 -28.2072 -56.0567 -28.2074 -393.906 GPRESSURE: 3833400 -123.162 -6.2912 -5.36734 -28.9131 -189.784 -88.7766 39.4529 42.0945 -333.712 PRESSAVG: 3833400 16.677 -37.7078 15.0772 -37.7078 -21.5709 39.0335 15.0773 39.0334 2.90785 GPRESSAVG: 3833400 15.7417 -38.4732 14.7637 -38.3855 -22.0742 40.3154 13.3723 38.1527 4.68394 TIMING: 3833400 CPU: 12113.4, 0.00316326/step Wall: 12113.4, 0.00316326/step, 1.02507 hours remaining, 235.960938 MB of memory in use. ENERGY: 3833400 4060.8815 20583.1165 14456.7357 245.4701 -203674.7485 2679.5379 0.0000 0.0000 51833.0766 -109815.9303 297.8854 -161649.0068 -109470.0960 298.4627 -247.1232 -215.5526 763702.6767 -0.6620 -0.5495 PRESSURE: 3833600 -159.382 64.1702 -234.154 64.1701 -508.174 66.734 -234.155 66.7333 275.688 GPRESSURE: 3833600 -234.819 140.595 -130.62 -28.7092 -366.057 -29.4281 -139.854 -52.7911 269.24 PRESSAVG: 3833600 -28.1797 22.554 2.87217 22.5541 11.5928 -18.3824 2.87215 -18.3824 -11.6391 GPRESSAVG: 3833600 -28.5175 22.6235 4.44598 22.954 11.2667 -20.6632 4.23419 -16.0197 -10.8341 TIMING: 3833600 CPU: 12114.1, 0.00313922/step Wall: 12114.1, 0.00313922/step, 1.01711 hours remaining, 235.960938 MB of memory in use. ENERGY: 3833600 4053.8591 20555.4303 14507.4760 247.0024 -203839.7486 2679.3458 0.0000 0.0000 52060.2244 -109736.4106 299.1908 -161796.6350 -109368.6030 298.2778 -130.6226 -110.5452 763290.5856 -9.4087 -9.3616 PRESSURE: 3833800 -13.6117 -52.1272 -132.073 -52.1267 -138.843 -123.56 -132.073 -123.561 -580.734 GPRESSURE: 3833800 110.125 -9.27504 -188.464 24.0631 -200.223 -123.157 -154.593 -75.5443 -545.288 PRESSAVG: 3833800 -45.2853 -42.6594 -49.1418 -42.6594 8.55559 -27.211 -49.1419 -27.211 13.3657 GPRESSAVG: 3833800 -43.3733 -39.7483 -49.6757 -43.566 8.24208 -25.3349 -49.9289 -29.4726 11.1043 TIMING: 3833800 CPU: 12114.7, 0.00314574/step Wall: 12114.7, 0.00314574/step, 1.01904 hours remaining, 235.960938 MB of memory in use. ENERGY: 3833800 4087.9363 20587.3121 14400.9558 244.9964 -203360.0776 2580.6186 0.0000 0.0000 51825.3074 -109632.9509 297.8408 -161458.2583 -109275.8798 298.5251 -244.3964 -211.7953 762337.4225 -7.7880 -8.0090 PRESSURE: 3834000 212.544 -154.761 62.4171 -154.761 -245.443 272.971 62.4172 272.972 27.5682 GPRESSURE: 3834000 222.865 -50.5311 -13.7587 -174.892 -138.267 253.065 120.298 360.193 -6.67738 PRESSAVG: 3834000 -32.4301 -14.4336 -25.6865 -14.4336 53.8956 -5.12125 -25.6865 -5.1212 4.15754 GPRESSAVG: 3834000 -32.5258 -16.0798 -26.4 -15.0228 52.5587 -4.89928 -25.7805 -3.8278 5.57599 TIMING: 3834000 CPU: 12115.3, 0.00314162/step Wall: 12115.3, 0.00314162/step, 1.01754 hours remaining, 235.960938 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: 3834000 4032.9445 20442.8613 14465.0134 242.6129 -203759.6531 2835.3841 0.0000 0.0000 52046.9165 -109693.9205 299.1143 -161740.8369 -109335.8622 299.0212 -1.7769 25.9736 761286.3386 8.5410 8.5363 PRESSURE: 3834200 -82.6835 -117.379 -45.9229 -117.378 -282.267 55.3309 -45.9228 55.3316 276.168 GPRESSURE: 3834200 -77.8388 -190.426 0.394829 -143.151 -209.562 -17.7081 -8.56543 182.56 283.573 PRESSAVG: 3834200 -7.56785 -1.54531 -35.0037 -1.54535 10.4003 10.2947 -35.0037 10.2947 -1.87819 GPRESSAVG: 3834200 -7.41365 -3.30552 -33.9209 0.772914 12.1413 10.481 -34.4184 11.7414 -4.23435 TIMING: 3834200 CPU: 12115.9, 0.00313512/step Wall: 12115.9, 0.00313512/step, 1.01526 hours remaining, 235.960938 MB of memory in use. ENERGY: 3834200 4061.2624 20671.1858 14437.4587 266.5811 -203589.5193 2616.4516 0.0000 0.0000 51971.7700 -109564.8096 298.6825 -161536.5796 -109191.7166 299.1131 -29.5943 -1.2761 761895.1156 0.3181 0.1644 PRESSURE: 3834400 23.2367 86.3697 -116.851 86.3694 59.44 -236.836 -116.851 -236.836 164.706 GPRESSURE: 3834400 37.3322 52.2464 -105.403 28.491 146.229 -159.042 3.33971 -317.985 144.168 PRESSAVG: 3834400 -13.3726 38.9153 -8.40921 38.9152 2.08713 30.8147 -8.40924 30.8148 -4.55506 GPRESSAVG: 3834400 -14.0741 39.5768 -9.63162 37.1003 2.00547 29.9028 -8.20028 28.4265 -3.46459 TIMING: 3834400 CPU: 12116.6, 0.00313986/step Wall: 12116.6, 0.00313986/step, 1.01662 hours remaining, 235.960938 MB of memory in use. ENERGY: 3834400 4031.5723 20648.8442 14470.8162 281.8200 -204148.4668 2946.2183 0.0000 0.0000 52068.6249 -109700.5708 299.2391 -161769.1957 -109335.6963 299.4529 82.4609 109.2429 760193.8191 -5.2802 -5.1777 PRESSURE: 3834600 5.32863 -202.259 89.1225 -202.26 -157.535 20.013 89.123 20.0137 -20.6694 GPRESSURE: 3834600 3.26914 -100.641 128.823 -114.273 -99.5958 -20.0993 10.5475 -91.9175 -1.11759 PRESSAVG: 3834600 -34.1386 29.9737 -19.9931 29.9737 39.1083 -10.7621 -19.9932 -10.7621 -6.49653 GPRESSAVG: 3834600 -34.8994 30.2457 -19.378 31.3883 39.6049 -10.9302 -20.3691 -11.438 -7.16775 TIMING: 3834600 CPU: 12117.2, 0.00312791/step Wall: 12117.2, 0.00312791/step, 1.01257 hours remaining, 235.960938 MB of memory in use. ENERGY: 3834600 4063.0222 20436.4624 14469.3785 240.5948 -203846.6703 3003.5829 0.0000 0.0000 52087.3542 -109546.2752 299.3467 -161633.6294 -109192.6180 298.9581 -57.6253 -32.4814 762180.5321 -0.5090 -0.8207 PRESSURE: 3834800 -92.0188 132.198 -39.5944 132.198 407.557 237.04 -39.5944 237.039 -98.6728 GPRESSURE: 3834800 -38.0967 219.091 -39.5028 143.207 314.81 312.991 -136.706 180.717 23.7565 PRESSAVG: 3834800 13.5519 31.983 -45.1944 31.983 -32.353 -9.12184 -45.1943 -9.12181 6.59462 GPRESSAVG: 3834800 14.4834 32.2481 -45.2974 31.5635 -34.3484 -9.48292 -45.0158 -8.46125 7.91299 TIMING: 3834800 CPU: 12117.8, 0.00314992/step Wall: 12117.8, 0.00314992/step, 1.01952 hours remaining, 235.960938 MB of memory in use. ENERGY: 3834800 3982.7003 20540.4007 14446.3124 240.0757 -203546.5121 2748.7821 0.0000 0.0000 52090.4375 -109497.8034 299.3645 -161588.2409 -109143.6085 298.8877 72.2885 100.1568 763057.5088 -4.0688 -3.9840 PRESSURE: 3835000 -51.1006 11.1298 -211.72 11.1303 111.971 -36.9831 -211.719 -36.9831 174.698 GPRESSURE: 3835000 68.0777 17.2511 -282.264 63.5614 25.1609 -106.048 -150.227 -57.8284 227.861 PRESSAVG: 3835000 13.9645 14.986 -41.6046 14.986 -24.4716 24.8191 -41.6046 24.819 6.27043 GPRESSAVG: 3835000 14.3111 14.2118 -40.6853 17.2133 -23.7981 25.2889 -41.0867 25.0618 5.71969 TIMING: 3835000 CPU: 12118.5, 0.00314014/step Wall: 12118.5, 0.00314014/step, 1.01618 hours remaining, 235.960938 MB of memory in use. ENERGY: 3835000 4003.8876 20472.4699 14452.2234 234.9893 -203521.9373 2793.9305 0.0000 0.0000 52006.3939 -109558.0427 298.8815 -161564.4366 -109204.1951 298.6686 78.5228 107.0332 761577.9884 -1.4122 -1.2558 PRESSURE: 3835200 55.5742 -150.858 -268.373 -150.858 -95.9003 -83.9515 -268.373 -83.9514 151 GPRESSURE: 3835200 57.5807 -236.077 -243.115 -242.819 29.0594 -98.2463 -210.88 -136.86 84.7937 PRESSAVG: 3835200 37.529 -42.0596 -55.4644 -42.0596 -23.6152 -26.0391 -55.4644 -26.0391 -11.5623 GPRESSAVG: 3835200 37.2007 -42.5791 -55.7811 -45.0782 -23.3149 -25.369 -54.4785 -24.6355 -11.6857 TIMING: 3835200 CPU: 12119.1, 0.00315467/step Wall: 12119.1, 0.00315467/step, 1.02071 hours remaining, 235.960938 MB of memory in use. ENERGY: 3835200 4003.9260 20538.1688 14457.4993 252.5171 -203288.8603 2521.7550 0.0000 0.0000 51977.3381 -109537.6561 298.7145 -161514.9941 -109167.0526 298.8703 36.8913 57.1446 760637.3231 0.7838 0.7334 PRESSURE: 3835400 -13.2055 -19.3299 -148.823 -19.3301 268.193 19.3338 -148.822 19.3342 380.211 GPRESSURE: 3835400 -13.6628 11.775 -234.223 28.1353 275.453 68.4492 92.8836 136.153 461.447 PRESSAVG: 3835400 -3.29131 -52.925 -75.7046 -52.925 -14.3382 76.001 -75.7046 76.001 28.5983 GPRESSAVG: 3835400 -3.36029 -52.6293 -74.5915 -53.4346 -15.0663 76.1205 -76.9848 76.098 28.8806 TIMING: 3835400 CPU: 12119.7, 0.0031578/step Wall: 12119.7, 0.0031578/step, 1.02155 hours remaining, 235.960938 MB of memory in use. ENERGY: 3835400 4020.8560 20456.3754 14422.3312 250.3941 -203866.7281 3128.0544 0.0000 0.0000 51913.1333 -109675.5836 298.3455 -161588.7169 -109306.3265 298.9962 211.7326 241.0790 763308.2699 3.6562 3.4847 PRESSURE: 3835600 185.317 -2.9336 -161.156 -2.9353 -170.328 -17.7956 -161.156 -17.7943 -47.2154 GPRESSURE: 3835600 164.784 121.642 -82.3734 -129.044 -68.4059 71.4683 -223.259 -13.9652 -34.877 PRESSAVG: 3835600 -27.6921 -3.83631 6.8033 -3.8363 52.4964 -55.9302 6.8033 -55.9302 -1.09876 GPRESSAVG: 3835600 -28.592 -3.63983 5.59727 -5.65346 53.7225 -56.2327 8.57144 -57.2935 -2.03169 TIMING: 3835600 CPU: 12120.3, 0.0031413/step Wall: 12120.3, 0.0031413/step, 1.01604 hours remaining, 235.960938 MB of memory in use. ENERGY: 3835600 3963.7842 20622.3408 14323.0456 224.6481 -203564.4945 2877.8515 0.0000 0.0000 51970.5847 -109582.2397 298.6757 -161552.8244 -109210.1105 298.8208 -10.7422 20.5002 763035.3050 7.9018 7.6996 PRESSURE: 3835800 -180.364 69.1359 137.31 69.1369 30.8485 92.071 137.309 92.0706 13.2156 GPRESSURE: 3835800 -128.468 -51.7645 193.276 75.7625 60.892 37.3615 -16.1446 48.4081 41.3617 PRESSAVG: 3835800 1.62345 30.7633 22.4223 30.7633 42.1121 -9.97617 22.4223 -9.97627 9.96306 GPRESSAVG: 3835800 2.52029 31.7449 23.3529 33.7378 41.3408 -9.51626 21.784 -10.8699 9.31876 TIMING: 3835800 CPU: 12121, 0.00314385/step Wall: 12121, 0.00314385/step, 1.01669 hours remaining, 235.960938 MB of memory in use. ENERGY: 3835800 3905.5871 20538.3313 14428.7751 260.1843 -203511.7782 2634.6344 0.0000 0.0000 52152.9579 -109591.3082 299.7238 -161744.2660 -109218.3201 298.8643 -45.4334 -8.7381 763179.8900 17.8995 17.7266 PRESSURE: 3836000 95.4283 -25.2937 155.008 -25.2944 -199.147 233.281 155.007 233.28 296.943 GPRESSURE: 3836000 58.0181 80.7138 108.668 -86.6873 -126.835 299.995 39.3812 217.919 348.247 PRESSAVG: 3836000 2.17791 -30.3058 -10.7777 -30.3058 -41.8537 37.8194 -10.7777 37.8194 3.89802 GPRESSAVG: 3836000 1.69995 -33.6661 -11.086 -28.3608 -41.6494 37.8118 -12.5655 38.0346 3.50959 TIMING: 3836000 CPU: 12121.6, 0.00316014/step Wall: 12121.6, 0.00316014/step, 1.02178 hours remaining, 235.960938 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: 3836000 3978.1717 20498.6326 14361.7836 257.5599 -203382.5958 2586.0875 0.0000 0.0000 51985.6418 -109714.7186 298.7622 -161700.3604 -109349.3080 298.7830 64.4082 93.1434 763843.3004 -11.9259 -12.1466 PRESSURE: 3836200 157.09 -0.403606 114.071 -0.403152 208.282 17.1556 114.071 17.1553 -269.506 GPRESSURE: 3836200 275.222 7.45298 -41.5249 32.8531 132.206 49.6068 114 19.6549 -215.028 PRESSAVG: 3836200 36.1999 4.1409 -15.392 4.14093 -6.88333 7.60754 -15.392 7.60761 0.895415 GPRESSAVG: 3836200 36.815 8.20049 -15.4364 2.04167 -6.90009 7.46661 -14.7696 9.25384 0.784264 TIMING: 3836200 CPU: 12122.2, 0.0031954/step Wall: 12122.2, 0.0031954/step, 1.033 hours remaining, 235.960938 MB of memory in use. ENERGY: 3836200 3989.1500 20508.3620 14420.6323 231.9229 -203903.9800 2951.5695 0.0000 0.0000 52041.6156 -109760.7276 299.0839 -161802.3432 -109398.8575 299.2008 31.9551 64.1335 762179.3207 10.0707 10.2331 LDB: ============= START OF LOAD BALANCING ============== 12134.8 LDB: ============== END OF LOAD BALANCING =============== 12134.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12134.8 LDB: ============= START OF LOAD BALANCING ============== 12135.1 LDB: Largest compute 7066 load 0.030914 is 15.8% of average load 0.195620 LDB: Average compute 0.004335 is 2.2% of average load 0.195620 LDB: TIME 12135.1 LOAD: AVG 0.19562 MAX 0.214107 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.945 MB LDB: TIME 12135.1 LOAD: AVG 0.19562 MAX 0.214107 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.949 MB LDB: TIME 12135.1 LOAD: AVG 0.19562 MAX 0.214107 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.949 MB LDB: ============== END OF LOAD BALANCING =============== 12135.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12135.1 PRESSURE: 3836400 196.223 -10.6608 243.509 -10.6615 -92.2059 -145.652 243.51 -145.651 -135.073 GPRESSURE: 3836400 173.231 71.7324 281.829 -62.8924 -32.1297 -179.425 166.304 -173.821 -92.9669 PRESSAVG: 3836400 -13.1043 -18.1424 9.40569 -18.1423 8.21541 0.903179 9.40572 0.903081 -18.4843 GPRESSAVG: 3836400 -13.0576 -21.3864 9.36654 -19.4399 8.24539 1.30205 9.02171 0.657833 -18.4653 TIMING: 3836400 CPU: 12122.9, 0.0032478/step Wall: 12122.9, 0.0032478/step, 1.04976 hours remaining, 235.359375 MB of memory in use. ENERGY: 3836400 4043.5384 20672.9920 14437.5016 245.2484 -203768.0763 2559.2781 0.0000 0.0000 51853.9006 -109955.6173 298.0051 -161809.5179 -109605.4401 297.7405 -10.3518 16.0448 762856.9959 -7.7911 -7.7592 PRESSURE: 3836600 -22.056 -195.074 34.1583 -195.073 58.9125 -66.9878 34.1588 -66.9879 139.024 GPRESSURE: 3836600 39.7227 -73.49 5.58486 -185.62 26.5328 -85.3756 125.08 53.5003 181.038 PRESSAVG: 3836600 -35.8563 -52.6233 -28.0443 -52.6233 26.5946 37.8492 -28.0442 37.8492 -9.81548 GPRESSAVG: 3836600 -37.2089 -50.3302 -30.4506 -51.3883 27.0295 36.238 -24.4938 37.5487 -8.86211 TIMING: 3836600 CPU: 12123.5, 0.00315443/step Wall: 12123.5, 0.00315443/step, 1.01941 hours remaining, 235.359375 MB of memory in use. ENERGY: 3836600 3959.4849 20547.6977 14360.7683 253.6937 -203682.1347 2809.2854 0.0000 0.0000 51801.5128 -109949.6918 297.7040 -161751.2047 -109587.9667 298.3753 58.6269 82.4313 761941.4172 -6.3591 -6.3472 PRESSURE: 3836800 -284.167 63.3072 71.5151 63.3076 -393.641 124.966 71.5148 124.965 -796.375 GPRESSURE: 3836800 -261.105 133.769 184.322 10.4102 -315.296 50.7803 -37.6828 -24.8052 -810.594 PRESSAVG: 3836800 4.62535 -2.55098 4.56763 -2.55091 -15.0942 -21.1188 4.56753 -21.1189 3.68221 GPRESSAVG: 3836800 6.73186 -2.83913 7.86851 -2.55726 -15.4593 -18.2499 1.43936 -21.2461 2.19713 TIMING: 3836800 CPU: 12124.2, 0.00317315/step Wall: 12124.2, 0.00317315/step, 1.02528 hours remaining, 235.359375 MB of memory in use. ENERGY: 3836800 3975.2302 20368.5441 14483.6751 230.2201 -203428.6754 2509.8454 0.0000 0.0000 51840.6120 -110020.5485 297.9287 -161861.1605 -109650.4999 297.7548 -491.3943 -462.3316 762450.3160 -2.2622 -2.1768 PRESSURE: 3837000 167.956 -103.307 -172.952 -103.308 -27.0673 182.454 -172.952 182.453 -159.266 GPRESSURE: 3837000 145.128 -241.018 -105.419 -91.9746 12.547 111.025 -224.07 118.244 -77.5299 PRESSAVG: 3837000 -47.0025 -3.38746 12.4391 -3.38748 0.968255 21.9314 12.4391 21.9313 -12.9514 GPRESSAVG: 3837000 -48.288 -3.96001 11.2668 -3.85345 1.70866 19.2629 13.7452 21.9026 -13.0738 TIMING: 3837000 CPU: 12124.8, 0.00316936/step Wall: 12124.8, 0.00316936/step, 1.02388 hours remaining, 235.359375 MB of memory in use. ENERGY: 3837000 3949.0256 20367.7563 14428.5394 242.6078 -203850.0922 2784.1513 0.0000 0.0000 52190.4489 -109887.5627 299.9392 -162078.0116 -109511.7144 298.0864 -6.1258 26.7152 762246.4551 -19.6619 -19.8844 PRESSURE: 3837200 -59.9618 50.4918 -66.5611 50.4926 -216.564 -25.3936 -66.5608 -25.3936 68.5357 GPRESSURE: 3837200 -0.458158 23.3031 -84.2662 16.0288 -152.147 -105.588 -32.537 62.1375 43.9082 PRESSAVG: 3837200 5.76331 31.8114 -13.5603 31.8113 -41.5289 15.505 -13.5603 15.505 12.0973 GPRESSAVG: 3837200 5.74884 31.4868 -13.3988 30.9418 -42.4368 17.0771 -14.4577 14.5696 13.3259 TIMING: 3837200 CPU: 12125.4, 0.00315607/step Wall: 12125.4, 0.00315607/step, 1.01941 hours remaining, 235.359375 MB of memory in use. ENERGY: 3837200 3963.4110 20555.1596 14446.1052 239.7089 -203436.3814 2817.3039 0.0000 0.0000 51735.7005 -109678.9924 297.3258 -161414.6928 -109321.6893 298.6188 -69.3301 -36.2324 761771.9029 -7.8894 -7.7874 PRESSURE: 3837400 70.0011 -22.9756 -159.927 -22.9756 122.393 -245.828 -159.927 -245.828 -251.742 GPRESSURE: 3837400 142.528 -141.559 -25.0464 112.422 54.1772 -168.357 -114.593 -252.697 -155.278 PRESSAVG: 3837400 4.4378 -6.15492 32.2726 -6.15488 -17.434 48.8052 32.2725 48.8052 6.02613 GPRESSAVG: 3837400 3.69372 -7.88187 33.3147 -6.19354 -17.5918 49.5158 32.7337 50.2442 6.72909 TIMING: 3837400 CPU: 12126.1, 0.00315101/step Wall: 12126.1, 0.00315101/step, 1.0176 hours remaining, 235.359375 MB of memory in use. ENERGY: 3837400 3941.5493 20429.0546 14406.3938 226.7866 -203277.0649 2731.4795 0.0000 0.0000 51856.6737 -109685.1274 298.0210 -161541.8011 -109313.8987 298.7826 -19.7825 13.8090 761502.7909 -2.3234 -2.3897 PRESSURE: 3837600 -282.376 -70.3388 47.0846 -70.3384 -67.6163 58.0822 47.0839 58.0825 -77.5791 GPRESSURE: 3837600 -164.744 -58.1388 -72.6121 -177.493 -29.9524 129.389 109.322 -14.4176 -144.407 PRESSAVG: 3837600 -21.0028 35.6603 9.5487 35.6603 -21.9316 10.6998 9.54871 10.6997 16.1789 GPRESSAVG: 3837600 -19.92 37.4508 6.84499 34.1092 -21.8646 9.80886 9.56319 11.1326 15.3315 TIMING: 3837600 CPU: 12126.7, 0.00317112/step Wall: 12126.7, 0.00317112/step, 1.02392 hours remaining, 235.359375 MB of memory in use. ENERGY: 3837600 4021.7368 20573.9644 14477.3653 247.5426 -203144.9869 2348.4547 0.0000 0.0000 51770.3951 -109705.5282 297.5252 -161475.9233 -109350.3056 298.0845 -142.5239 -113.0344 761931.2101 -8.9185 -8.8177 PRESSURE: 3837800 241.355 -162.114 34.9805 -162.115 152.791 -152.923 34.9804 -152.923 128.093 GPRESSURE: 3837800 248.389 -210.6 52.592 -182.407 169.603 -142.704 -121.025 27.3935 192.801 PRESSAVG: 3837800 88.4146 29.7899 -27.7002 29.7899 -69.4939 61.6911 -27.7002 61.6911 -8.6244 GPRESSAVG: 3837800 89.0773 30.8342 -27.7974 29.494 -68.5957 59.6441 -24.7402 62.8893 -9.73353 TIMING: 3837800 CPU: 12127.3, 0.00315816/step Wall: 12127.3, 0.00315816/step, 1.01956 hours remaining, 235.359375 MB of memory in use. ENERGY: 3837800 4014.2284 20269.6053 14440.4349 240.1228 -203266.3938 2716.2868 0.0000 0.0000 51962.5093 -109623.2064 298.6293 -161585.7157 -109245.4085 298.6342 174.0799 203.5973 762988.5155 3.4321 3.5827 PRESSURE: 3838000 54.8666 119.483 -348.524 119.483 -88.8772 -7.75492 -348.525 -7.75457 -134.787 GPRESSURE: 3838000 134.748 129.728 -258.653 -30.8797 -22.5419 23.8573 -299.642 33.5038 -191.063 PRESSAVG: 3838000 -7.05432 2.05494 -54.4137 2.05492 -8.02811 -27.969 -54.4135 -27.969 -7.40625 GPRESSAVG: 3838000 -7.6392 1.0718 -53.6171 3.56956 -9.38072 -26.3189 -56.2024 -29.4083 -5.79705 TIMING: 3838000 CPU: 12128, 0.00317364/step Wall: 12128, 0.00317364/step, 1.02438 hours remaining, 235.359375 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: 3838000 3975.3893 20605.0191 14447.2068 245.9886 -202942.1726 2281.5817 0.0000 0.0000 51692.6345 -109694.3526 297.0783 -161386.9871 -109339.2807 298.4198 -56.2659 -26.2857 762617.3658 -7.4962 -7.6057 PRESSURE: 3838200 -95.6282 -36.5963 71.4995 -36.5964 12.0628 122.505 71.5004 122.503 179.427 GPRESSURE: 3838200 -95.6519 57.2414 61.7398 85.352 42.6804 124.176 117.318 162.247 224.07 PRESSAVG: 3838200 18.8216 -4.77699 -63.014 -4.77701 -36.4807 50.042 -63.014 50.042 12.2724 GPRESSAVG: 3838200 19.144 -4.91884 -63.5178 -5.02937 -37.1985 49.5884 -62.5387 48.772 12.2124 TIMING: 3838200 CPU: 12128.6, 0.00317882/step Wall: 12128.6, 0.00317882/step, 1.02588 hours remaining, 235.359375 MB of memory in use. ENERGY: 3838200 3907.4298 20675.9776 14419.5959 237.6184 -203350.0770 2517.4893 0.0000 0.0000 51830.4217 -109761.5443 297.8701 -161591.9660 -109405.0800 298.1814 31.9538 57.0327 762504.7565 -1.7956 -1.9474 PRESSURE: 3838400 352.933 -16.0769 121.881 -16.0764 341.77 152.328 121.881 152.329 93.0327 GPRESSURE: 3838400 361.945 -84.9203 84.8518 28.2648 339.882 239.602 67.8689 189.061 181.113 PRESSAVG: 3838400 -25.7463 -52.6713 35.0381 -52.6713 -44.101 73.5974 35.0381 73.5974 5.42934 GPRESSAVG: 3838400 -26.4782 -53.186 34.4046 -51.4861 -43.6547 74.5532 35.6709 73.1231 5.99339 TIMING: 3838400 CPU: 12129.2, 0.00317088/step Wall: 12129.2, 0.00317088/step, 1.02314 hours remaining, 235.359375 MB of memory in use. ENERGY: 3838400 4037.4115 20362.9479 14516.0049 265.2876 -203643.3150 2885.8102 0.0000 0.0000 52035.5151 -109540.3378 299.0488 -161575.8530 -109182.9442 298.9111 262.5784 294.3133 761140.4400 -21.4727 -21.3798 PRESSURE: 3838600 393.557 59.5849 239.519 59.585 26.8382 240.704 239.52 240.705 152.619 GPRESSURE: 3838600 426.681 123.543 268.651 -73.6393 84.4047 210.228 164.276 290.591 160.67 PRESSAVG: 3838600 -13.4451 29.705 19.7219 29.7051 -0.509902 51.2233 19.7219 51.2234 -5.71665 GPRESSAVG: 3838600 -12.9685 33.4074 19.1991 25.323 0.860594 50.6245 18.1423 49.7816 -7.04282 TIMING: 3838600 CPU: 12129.9, 0.0031483/step Wall: 12129.9, 0.0031483/step, 1.01568 hours remaining, 235.359375 MB of memory in use. ENERGY: 3838600 3965.8567 20351.4703 14452.9413 240.2882 -203780.8890 3034.9182 0.0000 0.0000 52193.8900 -109541.5244 299.9590 -161735.4143 -109181.7563 299.1698 191.0045 223.9185 760816.2861 -6.5572 -6.3836 PRESSURE: 3838800 -43.5015 -39.2615 -146.859 -39.2616 -207.687 -56.5894 -146.858 -56.5879 24.8519 GPRESSURE: 3838800 -49.2627 -29.6368 -227.945 56.5654 -116.669 -133.418 37.841 -29.7144 23.9941 PRESSAVG: 3838800 -58.7869 39.932 -6.82725 39.932 17.1142 -0.46159 -6.82727 -0.461684 18.6596 GPRESSAVG: 3838800 -58.8553 37.9645 -5.94519 43.8141 16.5424 -1.22237 -5.80996 2.05088 19.0611 TIMING: 3838800 CPU: 12130.5, 0.00315782/step Wall: 12130.5, 0.00315782/step, 1.01857 hours remaining, 235.359375 MB of memory in use. ENERGY: 3838800 4005.3125 20648.9535 14411.7501 252.6003 -203158.7544 2564.1238 0.0000 0.0000 51802.2459 -109473.7683 297.7082 -161276.0141 -109115.3709 299.2408 -75.4455 -47.3126 763466.5317 -7.6710 -7.7506 PRESSURE: 3839000 -249.772 -153.512 135.951 -153.512 63.516 129.238 135.951 129.237 -272.088 GPRESSURE: 3839000 -171.12 -134.624 161.749 -48.6844 32.7787 48.0909 -26.1898 214.834 -212.71 PRESSAVG: 3839000 20.884 13.7424 -31.2109 13.7425 -61.8671 3.78899 -31.2108 3.78897 -8.45307 GPRESSAVG: 3839000 21.4461 12.4612 -29.791 13.1325 -62.4209 2.90186 -34.5881 2.42187 -8.27693 TIMING: 3839000 CPU: 12131.1, 0.00316602/step Wall: 12131.1, 0.00316602/step, 1.02104 hours remaining, 235.359375 MB of memory in use. ENERGY: 3839000 3982.3644 20545.1000 14394.3688 241.8895 -202858.4549 2642.7619 0.0000 0.0000 51998.2014 -109053.7689 298.8344 -161051.9703 -108700.5124 299.0142 -152.7813 -117.0170 763826.9491 -16.4787 -16.4172 PRESSURE: 3839200 39.7956 -71.4826 81.1075 -71.4813 178.619 68.3475 81.1079 68.3474 383.368 GPRESSURE: 3839200 150.245 -95.2205 62.4005 -4.64648 115.899 29.2207 43.1274 31.3811 417.14 PRESSAVG: 3839200 4.4783 -11.5724 -4.46773 -11.5724 -11.5248 -12.1796 -4.4677 -12.1796 3.00867 GPRESSAVG: 3839200 3.65485 -11.8152 -5.65519 -10.1745 -11.0663 -10.3704 -3.61331 -11.5436 2.74941 TIMING: 3839200 CPU: 12131.7, 0.00315955/step Wall: 12131.7, 0.00315955/step, 1.01878 hours remaining, 235.359375 MB of memory in use. ENERGY: 3839200 3906.8033 20694.1227 14482.1509 254.6991 -203249.3389 2665.4852 0.0000 0.0000 52093.3120 -109152.7657 299.3810 -161246.0777 -108791.5359 299.4079 200.5941 227.7613 762406.9430 -1.3460 -1.5540 PRESSURE: 3839400 -40.0479 -98.3085 177.914 -98.3088 -56.0576 103.216 177.914 103.216 44.5172 GPRESSURE: 3839400 16.7945 -220.623 124.493 -36.8449 -38.1965 175.54 145.89 72.6538 60.4963 PRESSAVG: 3839400 5.13486 -33.2235 -43.0503 -33.2235 -7.97937 -11.7772 -43.0503 -11.7772 17.0459 GPRESSAVG: 3839400 5.45516 -33.2119 -41.4818 -35.5233 -8.74568 -11.5256 -42.6652 -11.4559 17.6249 TIMING: 3839400 CPU: 12132.4, 0.00318227/step Wall: 12132.4, 0.00318227/step, 1.02593 hours remaining, 235.359375 MB of memory in use. ENERGY: 3839400 3999.0142 20440.9340 14481.5010 250.5179 -203075.2904 2757.1317 0.0000 0.0000 51966.7176 -109179.4740 298.6534 -161146.1916 -108822.9642 299.5682 -17.1961 13.0314 764273.6297 4.7338 4.7781 PRESSURE: 3839600 -50.9135 -52.3169 -34.4906 -52.3162 -356.582 418.246 -34.4901 418.245 193.354 GPRESSURE: 3839600 -67.1811 -73.9509 -86.295 14.7364 -196.265 360.561 -60.6126 302.44 124.516 PRESSAVG: 3839600 33.8103 -4.54331 2.82452 -4.54327 -15.4573 22.8436 2.82451 22.8436 -22.4347 GPRESSAVG: 3839600 33.9658 -7.40425 0.719263 -2.5018 -15.2474 21.917 4.88608 23.4291 -22.6739 TIMING: 3839600 CPU: 12133, 0.00315498/step Wall: 12133, 0.00315498/step, 1.01695 hours remaining, 235.359375 MB of memory in use. ENERGY: 3839600 3982.7967 20643.2268 14498.9527 248.0815 -203217.9962 2674.1254 0.0000 0.0000 52048.1920 -109122.6211 299.1217 -161170.8131 -108753.5409 299.8211 -71.3805 -46.3101 763757.0719 -1.3606 -1.3185 PRESSURE: 3839800 203.988 -151.221 160.418 -151.221 258.806 198.545 160.418 198.545 209.124 GPRESSURE: 3839800 201.025 -78.7749 154.519 -4.44423 347.868 71.737 112.923 52.9448 198.806 PRESSAVG: 3839800 -34.0922 23.2352 -1.2025 23.2351 25.2732 55.4589 -1.20253 55.4589 1.70385 GPRESSAVG: 3839800 -35.2871 27.1543 0.527625 23.9924 25.5383 54.6161 -4.02039 54.43 2.59488 TIMING: 3839800 CPU: 12133.6, 0.00314639/step Wall: 12133.6, 0.00314639/step, 1.01401 hours remaining, 235.359375 MB of memory in use. ENERGY: 3839800 3942.5101 20758.8425 14382.1971 235.2065 -203307.8128 2661.9386 0.0000 0.0000 52151.4951 -109175.6229 299.7154 -161327.1180 -108809.8774 299.9833 223.9726 249.2331 761499.4287 -2.3717 -2.3847 PRESSURE: 3840000 9.89734 373.689 -347.113 373.689 50.8435 -34.5283 -347.114 -34.5287 208.934 GPRESSURE: 3840000 95.6399 209.29 -281.629 288.25 70.1493 -70.9857 -391.129 58.9423 212.98 PRESSAVG: 3840000 -52.0301 -8.77889 -36.633 -8.77894 31.99 -17.7653 -36.6331 -17.7653 0.796702 GPRESSAVG: 3840000 -50.3868 -9.74141 -36.8994 -9.72049 31.6497 -18.3465 -34.9023 -19.3321 -0.0693459 TIMING: 3840000 CPU: 12134.3, 0.00316538/step Wall: 12134.3, 0.00316538/step, 1.01996 hours remaining, 235.359375 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: 3840000 3993.3131 20462.7768 14455.9937 261.0979 -203390.3834 2703.0584 0.0000 0.0000 52118.9835 -109395.1602 299.5285 -161514.1436 -109036.0288 299.7727 89.8916 126.2563 760476.3797 -6.4145 -6.2688 PRESSURE: 3840200 189.421 -139.855 289.223 -139.855 -160.009 5.26306 289.223 5.26181 108.736 GPRESSURE: 3840200 102.455 -125.717 380.371 -88.1915 -38.0664 -24.8029 275.334 161.898 161.728 PRESSAVG: 3840200 0.0671296 22.8983 8.86585 22.8983 26.7495 46.7164 8.8659 46.7164 10.5925 GPRESSAVG: 3840200 0.129887 23.4712 8.66005 20.3741 26.5734 47.6739 8.93596 49.893 10.9832 TIMING: 3840200 CPU: 12134.9, 0.00315237/step Wall: 12134.9, 0.00315237/step, 1.01559 hours remaining, 235.359375 MB of memory in use. ENERGY: 3840200 3906.0190 20569.9978 14430.5027 234.8916 -203158.0650 2441.2908 0.0000 0.0000 52071.6349 -109503.7283 299.2564 -161575.3631 -109140.2944 298.7643 46.0495 75.3724 761878.5773 12.4697 12.5622 LDB: ============= START OF LOAD BALANCING ============== 12147.4 LDB: ============== END OF LOAD BALANCING =============== 12147.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12147.4 LDB: ============= START OF LOAD BALANCING ============== 12147.8 LDB: Largest compute 7048 load 0.032152 is 16.4% of average load 0.195643 LDB: Average compute 0.004340 is 2.2% of average load 0.195643 LDB: TIME 12147.8 LOAD: AVG 0.195643 MAX 0.214466 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 12147.8 LOAD: AVG 0.195643 MAX 0.214466 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 12147.8 LOAD: AVG 0.195643 MAX 0.214466 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 12147.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12147.8 PRESSURE: 3840400 -476.154 -150.129 170.675 -150.13 -67.9809 129.941 170.676 129.941 -312.022 GPRESSURE: 3840400 -402.583 -124.816 88.7535 -162.99 -102.678 34.2379 165.018 3.99344 -275.173 PRESSAVG: 3840400 51.7767 -9.36784 30.9616 -9.36785 -29.5858 -15.4578 30.9616 -15.4578 2.95748 GPRESSAVG: 3840400 52.2977 -11.4303 30.4546 -6.68412 -29.1395 -17.095 30.498 -16.7919 1.9731 TIMING: 3840400 CPU: 12135.6, 0.00323436/step Wall: 12135.6, 0.00323436/step, 1.04182 hours remaining, 237.125000 MB of memory in use. ENERGY: 3840400 3971.3159 20648.7008 14422.5130 240.7175 -203296.8246 2508.4318 0.0000 0.0000 52032.3653 -109472.7803 299.0307 -161505.1457 -109110.1510 299.6565 -285.3853 -260.1447 763528.5641 8.3828 8.3771 PRESSURE: 3840600 -120.025 68.1966 -134.701 68.1962 10.4561 97.5514 -134.701 97.5511 -359.55 GPRESSURE: 3840600 -114.618 87.4967 -82.1903 65.5248 49.9186 71.9179 -82.5003 156.443 -305.355 PRESSAVG: 3840600 0.314472 10.3576 -21.3115 10.3576 -60.8727 26.4346 -21.3115 26.4346 7.94546 GPRESSAVG: 3840600 -0.26669 11.8972 -20.7076 9.0945 -62.196 27.6987 -22.5535 28.227 10.3265 TIMING: 3840600 CPU: 12136.2, 0.00317113/step Wall: 12136.2, 0.00317113/step, 1.02128 hours remaining, 237.195312 MB of memory in use. ENERGY: 3840600 3957.4007 20488.8248 14421.4018 235.3666 -203362.7291 2698.3720 0.0000 0.0000 52021.0991 -109540.2641 298.9660 -161561.3633 -109170.6116 299.1997 -156.3730 -123.3514 762150.8190 -17.5376 -17.3787 PRESSURE: 3840800 129.973 -97.3507 117.819 -97.3514 -264.117 169.247 117.82 169.246 429.092 GPRESSURE: 3840800 152.171 -125.163 147.858 33.7106 -185.544 184.958 -9.99749 2.93606 418.252 PRESSAVG: 3840800 -11.2944 16.3035 -20.3751 16.3035 38.0968 -20.6074 -20.375 -20.6074 33.5622 GPRESSAVG: 3840800 -11.6043 14.5479 -20.4255 16.1895 38.878 -19.3318 -21.2136 -22.4143 32.8647 TIMING: 3840800 CPU: 12136.8, 0.0031623/step Wall: 12136.8, 0.0031623/step, 1.01826 hours remaining, 237.195312 MB of memory in use. ENERGY: 3840800 4017.9443 20523.6835 14404.2900 241.0933 -203294.6922 2754.0212 0.0000 0.0000 51957.8744 -109395.7854 298.6026 -161353.6599 -109047.0706 299.3481 98.3162 128.2931 761298.5688 20.1215 20.0461 PRESSURE: 3841000 101.535 -45.967 -148.699 -45.9674 77.4794 51.089 -148.699 51.0904 -6.98975 GPRESSURE: 3841000 127.047 52.0696 -202.066 -54.2245 127.08 48.843 -198.454 120.658 15.4309 PRESSAVG: 3841000 43.4487 6.981 15.6722 6.98099 -38.4829 17.6832 15.6721 17.6832 2.07095 GPRESSAVG: 3841000 43.294 8.70806 15.364 8.31672 -37.7456 14.3296 15.8541 18.3036 0.979369 TIMING: 3841000 CPU: 12137.5, 0.00317007/step Wall: 12137.5, 0.00317007/step, 1.02059 hours remaining, 237.195312 MB of memory in use. ENERGY: 3841000 4011.4540 20514.0204 14448.6007 246.1829 -203415.8785 2613.2350 0.0000 0.0000 52332.2871 -109250.0984 300.7544 -161582.3855 -108887.8514 299.4490 57.3415 89.8527 760244.1530 2.3456 2.1759 PRESSURE: 3841200 -319.144 -63.1304 -152.803 -63.1304 -236.367 86.8749 -152.804 86.8748 13.8542 GPRESSURE: 3841200 -259.516 -60.7506 -178.72 154.45 -210.326 25.8083 -71.8026 195.778 30.4647 PRESSAVG: 3841200 45.8757 20.9336 -1.27247 20.9337 -20.7744 34.2245 -1.27248 34.2245 2.69679 GPRESSAVG: 3841200 45.2489 19.3764 -1.34461 20.3731 -20.8955 35.075 0.445231 34.3248 3.23011 TIMING: 3841200 CPU: 12138.1, 0.00316214/step Wall: 12138.1, 0.00316214/step, 1.01786 hours remaining, 237.195312 MB of memory in use. ENERGY: 3841200 4016.7289 20465.2940 14451.9430 260.8423 -203195.2781 2696.8910 0.0000 0.0000 52240.8707 -109062.7083 300.2290 -161303.5789 -108701.2042 299.4223 -180.5524 -146.4591 762522.2732 9.2660 9.1945 PRESSURE: 3841400 38.769 -202.581 111.99 -202.582 283.955 -57.5183 111.99 -57.5178 41.7538 GPRESSURE: 3841400 62.7195 -153.249 187.688 -10.5686 341.422 -102.848 56.4027 5.31117 50.1375 PRESSAVG: 3841400 48.4802 -33.6181 -1.15195 -33.6181 -26.0844 34.5042 -1.15197 34.5042 -4.52305 GPRESSAVG: 3841400 50.251 -32.2771 -0.0187922 -34.1065 -26.0859 35.5691 -0.716499 34.2458 -6.55259 TIMING: 3841400 CPU: 12138.7, 0.00314761/step Wall: 12138.7, 0.00314761/step, 1.01301 hours remaining, 237.195312 MB of memory in use. ENERGY: 3841400 4011.9612 20499.2618 14531.1327 239.1019 -202906.5722 2539.6983 0.0000 0.0000 52101.2139 -108984.2025 299.4264 -161085.4164 -108627.5288 299.5633 121.4926 151.4262 761538.0584 5.9576 5.8708 PRESSURE: 3841600 140.713 19.7558 -203.752 19.7558 -84.1384 -94.6525 -203.752 -94.6527 -202.78 GPRESSURE: 3841600 97.5359 -69.287 -201.648 -79.5155 -9.95389 -127.628 -235.91 -15.0662 -169.878 PRESSAVG: 3841600 12.9387 48.7243 -34.4581 48.7242 24.7899 -4.64414 -34.4581 -4.64416 12.0935 GPRESSAVG: 3841600 10.7189 46.6372 -34.8518 46.2737 24.9554 -4.61621 -35.9427 -3.57368 13.3846 TIMING: 3841600 CPU: 12139.3, 0.0031373/step Wall: 12139.3, 0.0031373/step, 1.00951 hours remaining, 237.195312 MB of memory in use. ENERGY: 3841600 4009.8555 20644.0291 14397.3769 249.3293 -203208.8297 2788.1819 0.0000 0.0000 52072.6830 -109047.3739 299.2624 -161120.0570 -108689.6033 299.7534 -48.7351 -27.4322 762987.2114 16.6074 16.3530 PRESSURE: 3841800 -28.6586 8.54122 -204.564 8.54187 37.3615 -120.277 -204.563 -120.277 -551.978 GPRESSURE: 3841800 -54.4614 133.501 -322.316 -14.0104 106.03 -121.983 -42.9431 -108.616 -522.526 PRESSAVG: 3841800 26.573 -47.4618 -80.4892 -47.4618 -3.85985 -79.9098 -80.4891 -79.9098 11.8067 GPRESSAVG: 3841800 26.8359 -45.0784 -80.1868 -45.4991 -5.11013 -80.0306 -79.0058 -80.4517 12.9552 TIMING: 3841800 CPU: 12140, 0.00315191/step Wall: 12140, 0.00315191/step, 1.01404 hours remaining, 237.195312 MB of memory in use. ENERGY: 3841800 4031.7397 20408.8128 14457.4050 253.7716 -203099.7952 2687.9999 0.0000 0.0000 52298.3579 -108961.7085 300.5594 -161260.0663 -108583.9570 299.7444 -181.0916 -156.9858 762713.8834 11.5066 11.5603 PRESSURE: 3842000 -219.55 139.424 55.6748 139.423 -123.842 165.904 55.6746 165.904 -403.31 GPRESSURE: 3842000 -214.794 168.354 54.0181 114.167 -108.583 153.111 138.328 141.015 -357.828 PRESSAVG: 3842000 0.0886618 0.736622 -8.70039 0.736523 -29.3382 44.8359 -8.70041 44.8359 3.07764 GPRESSAVG: 3842000 0.889746 -0.504975 -8.52538 -0.305091 -29.5261 44.4316 -9.83896 44.8753 2.62892 TIMING: 3842000 CPU: 12140.6, 0.0031404/step Wall: 12140.6, 0.0031404/step, 1.01016 hours remaining, 237.195312 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: 3842000 3998.6907 20597.8794 14442.7624 252.3636 -203169.1927 2765.8671 0.0000 0.0000 51991.7932 -109119.8363 298.7975 -161111.6295 -108770.9385 300.1668 -248.9006 -227.0685 763268.4073 -8.7240 -8.6692 PRESSURE: 3842200 -39.61 -256.94 -71.2009 -256.939 168.291 7.50873 -71.2009 7.50873 -495.483 GPRESSURE: 3842200 -36.6701 -128.273 -142.965 -316.326 221.004 67.6472 -32.4155 67.8793 -460.991 PRESSAVG: 3842200 46.113 1.34096 -8.97407 1.34096 -33.5517 26.9863 -8.97403 26.9863 29.5156 GPRESSAVG: 3842200 44.6087 1.90474 -10.2231 2.41598 -32.3912 26.1043 -6.36279 25.6928 29.5499 TIMING: 3842200 CPU: 12141.2, 0.00314982/step Wall: 12141.2, 0.00314982/step, 1.01302 hours remaining, 237.195312 MB of memory in use. ENERGY: 3842200 4052.3997 20550.1233 14469.8249 239.7901 -203420.8274 2862.9595 0.0000 0.0000 52259.8350 -108985.8947 300.3380 -161245.7297 -108630.6889 299.6995 -122.2674 -92.2191 762275.3155 14.0256 13.9225 PRESSURE: 3842400 124.815 42.7504 1.62508 42.7518 -22.1057 283.174 1.62446 283.173 221.185 GPRESSURE: 3842400 166.609 24.2823 91.0025 28.2777 34.9751 242.989 -197.227 180.75 219.914 PRESSAVG: 3842400 -33.9087 -56.7746 -23.5377 -56.7746 2.30277 -4.88543 -23.5377 -4.88542 0.285144 GPRESSAVG: 3842400 -30.9385 -58.652 -24.2255 -56.4115 1.0448 -2.86834 -25.0368 -5.37013 -1.12321 TIMING: 3842400 CPU: 12141.9, 0.00315653/step Wall: 12141.9, 0.00315653/step, 1.015 hours remaining, 237.195312 MB of memory in use. ENERGY: 3842400 4025.0852 20386.3039 14417.9953 248.3355 -203177.6633 2765.0853 0.0000 0.0000 52197.0739 -109137.7843 299.9773 -161334.8582 -108778.2276 299.3746 107.9649 140.4993 765202.7914 -10.4403 -10.3390 PRESSURE: 3842600 -317.376 -183.023 -100.235 -183.024 -128.035 -81.1393 -100.234 -81.1391 191.644 GPRESSURE: 3842600 -292.748 -124.136 -73.6313 -74.2155 -87.0587 -132.943 -51.5713 25.8031 206.621 PRESSAVG: 3842600 57.2239 -47.3665 -2.32844 -47.3665 -56.3325 55.1638 -2.32849 55.1638 14.496 GPRESSAVG: 3842600 55.2713 -45.7293 -2.70854 -44.6624 -54.3259 53.6144 -3.47513 58.796 14.379 TIMING: 3842600 CPU: 12142.5, 0.00315537/step Wall: 12142.5, 0.00315537/step, 1.01445 hours remaining, 237.195312 MB of memory in use. ENERGY: 3842600 4116.2003 20578.2274 14473.1606 225.3824 -203118.2269 2585.1691 0.0000 0.0000 51882.8814 -109257.2058 298.1716 -161140.0872 -108903.8867 299.3907 -84.5891 -57.7288 763582.3414 5.1291 5.1082 PRESSURE: 3842800 78.9426 52.1157 -358.565 52.1155 188.34 94.6993 -358.565 94.6994 -101.607 GPRESSURE: 3842800 170.293 88.3857 -268.999 -0.105791 172.437 144.621 -350.022 -18.3839 -75.7984 PRESSAVG: 3842800 30.1539 16.2945 2.05797 16.2945 -29.8913 -36.6932 2.05796 -36.6933 -5.20982 GPRESSAVG: 3842800 31.2801 17.2178 3.34855 13.8347 -32.2257 -35.9533 3.94709 -36.6335 -2.85956 TIMING: 3842800 CPU: 12143.1, 0.00316182/step Wall: 12143.1, 0.00316182/step, 1.01635 hours remaining, 237.195312 MB of memory in use. ENERGY: 3842800 4031.3093 20361.2392 14440.9895 252.1769 -203401.6927 2776.7521 0.0000 0.0000 52020.0521 -109519.1735 298.9600 -161539.2256 -109151.4565 298.5900 55.2253 88.9772 762723.0676 -1.6491 -1.2684 PRESSURE: 3843000 -233.246 -77.5991 39.7707 -77.5999 -150.741 27.7071 39.7718 27.7082 -166.425 GPRESSURE: 3843000 -193.148 -14.6329 67.1438 5.71487 -105.89 -50.5409 39.9023 120.332 -150.01 PRESSAVG: 3843000 36.4157 -28.782 -26.1729 -28.782 -41.8921 -0.0186245 -26.1729 -0.0185812 -2.29605 GPRESSAVG: 3843000 34.4368 -28.5212 -27.2337 -28.658 -38.9853 -1.72694 -27.2005 -1.3087 -3.89175 TIMING: 3843000 CPU: 12143.8, 0.00316161/step Wall: 12143.8, 0.00316161/step, 1.01611 hours remaining, 237.195312 MB of memory in use. ENERGY: 3843000 4006.2998 20519.2745 14413.6428 261.4348 -202958.6107 2405.3803 0.0000 0.0000 52006.6485 -109345.9299 298.8829 -161352.5785 -108985.8214 299.0526 -183.4709 -149.6831 763866.5965 -2.5908 -2.8134 PRESSURE: 3843200 -147.926 37.9458 145.971 37.9464 -282.23 -224.946 145.971 -224.947 -538.798 GPRESSURE: 3843200 -166.08 4.08814 117.698 -19.3756 -183.868 -229.504 79.0131 -238.535 -515.328 PRESSAVG: 3843200 9.08532 4.24034 22.9102 4.24031 -51.144 10.3452 22.9102 10.3451 0.971655 GPRESSAVG: 3843200 10.409 3.54468 23.7956 2.89761 -52.8937 12.5423 21.6634 11.2096 1.40829 TIMING: 3843200 CPU: 12144.4, 0.00314002/step Wall: 12144.4, 0.00314002/step, 1.00899 hours remaining, 237.195312 MB of memory in use. ENERGY: 3843200 4069.5626 20386.8244 14408.3294 239.8008 -203326.6194 2611.8110 0.0000 0.0000 51986.5996 -109623.6915 298.7677 -161610.2911 -109258.9996 298.4784 -322.9848 -288.4256 764715.6134 -13.6957 -13.6921 PRESSURE: 3843400 -95.2694 -31.4715 -128.896 -31.4712 -118.14 -26.473 -128.896 -26.4738 168.922 GPRESSURE: 3843400 -49.0989 -128.625 -58.3666 -77.9061 -46.1683 17.5885 -181.333 31.0486 157.384 PRESSAVG: 3843400 45.5546 -64.5257 6.6169 -64.5257 -14.5952 -6.95411 6.61697 -6.95406 -15.7962 GPRESSAVG: 3843400 45.0819 -65.7793 5.41847 -64.2019 -13.4609 -9.36042 8.20953 -7.43297 -16.3222 TIMING: 3843400 CPU: 12145, 0.00314365/step Wall: 12145, 0.00314365/step, 1.00999 hours remaining, 237.195312 MB of memory in use. ENERGY: 3843400 4001.6217 20358.5348 14428.8814 241.8430 -203524.8881 3061.3764 0.0000 0.0000 51958.8548 -109473.7760 298.6083 -161432.6308 -109118.1852 298.3216 -14.8291 20.7055 763982.7996 5.0544 5.0996 PRESSURE: 3843600 -77.9262 -269.604 2.89129 -269.603 -37.03 -91.5568 2.89117 -91.557 -62.7648 GPRESSURE: 3843600 -24.8164 -257.399 27.945 -162.911 -83.4792 -50.1971 -37.5334 -162.855 -19.968 PRESSAVG: 3843600 15.9475 -13.4746 -25.6375 -13.4746 20.7287 6.39485 -25.6375 6.3949 22.3167 GPRESSAVG: 3843600 16.4594 -12.5268 -26.8729 -11.6739 20.3016 7.96759 -26.1017 6.24782 22.3571 TIMING: 3843600 CPU: 12145.6, 0.00314421/step Wall: 12145.6, 0.00314421/step, 1.00999 hours remaining, 237.195312 MB of memory in use. ENERGY: 3843600 3993.5589 20446.0952 14483.3908 254.1309 -203223.5763 2829.0638 0.0000 0.0000 51936.4601 -109280.8767 298.4795 -161217.3368 -108930.6186 298.7915 -59.2403 -42.7546 762960.0379 19.6643 19.7061 PRESSURE: 3843800 -53.2247 95.6412 54.6506 95.6416 -29.522 -230.931 54.6512 -230.932 -203.944 GPRESSURE: 3843800 -37.869 17.7288 120.827 67.9853 -27.9976 -237.295 210.104 -221.195 -154.749 PRESSAVG: 3843800 -65.701 -37.5091 36.2106 -37.5091 14.9152 16.3775 36.2106 16.3775 -4.52742 GPRESSAVG: 3843800 -66.5997 -37.1189 38.235 -39.2746 14.7174 14.517 36.7208 16.8166 -3.7397 TIMING: 3843800 CPU: 12146.3, 0.00316466/step Wall: 12146.3, 0.00316466/step, 1.01638 hours remaining, 237.195312 MB of memory in use. ENERGY: 3843800 4013.1979 20511.9169 14528.9898 233.9066 -203474.1340 2963.6007 0.0000 0.0000 51960.2577 -109262.2644 298.6163 -161222.5221 -108907.8115 299.2786 -95.5636 -73.5385 761901.5414 -18.4377 -18.5407 PRESSURE: 3844000 -199.564 76.3467 -46.8957 76.3468 -257.099 111.253 -46.897 111.252 191.857 GPRESSURE: 3844000 -173.065 62.2512 -66.9593 -78.6248 -233.763 127.606 -34.1536 169.475 221.269 PRESSAVG: 3844000 52.751 -22.4406 -13.4238 -22.4406 -30.7383 10.6594 -13.4238 10.6594 -13.7418 GPRESSAVG: 3844000 52.5756 -24.0239 -14.3119 -22.3018 -31.2616 13.5111 -12.546 9.18273 -13.4351 TIMING: 3844000 CPU: 12146.9, 0.00315279/step Wall: 12146.9, 0.00315279/step, 1.01239 hours remaining, 237.195312 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: 3844000 4088.1388 20632.6898 14477.2084 245.6385 -203176.1201 2470.1376 0.0000 0.0000 52005.3317 -109256.9753 298.8754 -161262.3070 -108890.7534 299.6801 -88.2685 -61.8531 763487.3783 2.7570 2.6263 PRESSURE: 3844200 1.80235 35.4575 -161.797 35.4579 -46.5805 22.0543 -161.797 22.0551 378.122 GPRESSURE: 3844200 87.4141 -74.3158 -166.412 -22.9383 15.1439 5.23174 -164.24 -70.3347 323.255 PRESSAVG: 3844200 -5.57557 27.4105 4.06784 27.4106 -22.9726 -17.1256 4.06785 -17.1256 2.3411 GPRESSAVG: 3844200 -4.7171 27.9738 4.92742 26.6118 -22.5269 -18.2949 3.08779 -17.9918 0.898062 TIMING: 3844200 CPU: 12147.5, 0.00315889/step Wall: 12147.5, 0.00315889/step, 1.01418 hours remaining, 237.195312 MB of memory in use. ENERGY: 3844200 3995.0167 20668.4807 14449.5803 259.8467 -203496.5236 2756.4523 0.0000 0.0000 52310.8349 -109056.3120 300.6311 -161367.1469 -108697.6673 299.4321 111.1146 141.9376 762185.7846 -8.7357 -8.7820 LDB: ============= START OF LOAD BALANCING ============== 12160.1 LDB: ============== END OF LOAD BALANCING =============== 12160.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12160.1 LDB: ============= START OF LOAD BALANCING ============== 12160.4 LDB: Largest compute 7026 load 0.032648 is 16.7% of average load 0.195751 LDB: Average compute 0.004346 is 2.2% of average load 0.195751 LDB: TIME 12160.4 LOAD: AVG 0.195751 MAX 0.214334 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.414 MB LDB: TIME 12160.4 LOAD: AVG 0.195751 MAX 0.214334 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: TIME 12160.4 LOAD: AVG 0.195751 MAX 0.214334 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.414 MB LDB: ============== END OF LOAD BALANCING =============== 12160.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12160.4 PRESSURE: 3844400 170.876 97.0314 19.6491 97.0309 57.1912 133.524 19.649 133.524 338.799 GPRESSURE: 3844400 194.584 11.633 85.4404 169.472 75.065 124.561 -6.69825 81.4662 379.222 PRESSAVG: 3844400 66.5149 32.2094 36.7217 32.2095 -57.1126 16.0559 36.7217 16.056 11.951 GPRESSAVG: 3844400 66.7214 33.9603 35.7532 34.1233 -57.2625 16.2213 37.2902 15.6152 12.1767 TIMING: 3844400 CPU: 12148.2, 0.00323041/step Wall: 12148.2, 0.00323041/step, 1.03696 hours remaining, 237.062500 MB of memory in use. ENERGY: 3844400 3998.1252 20568.2090 14500.7810 262.0856 -203567.4792 2717.8015 0.0000 0.0000 52252.7623 -109267.7146 300.2973 -161520.4769 -108901.5341 299.8573 188.9552 216.2902 762203.9092 7.1178 7.2119 PRESSURE: 3844600 -53.5375 76.7935 29.3775 76.7934 -361.715 272.019 29.378 272.018 257.274 GPRESSURE: 3844600 -43.0968 136.243 88.9506 154.152 -245.385 226.362 -79.5507 389.955 211.364 PRESSAVG: 3844600 37.467 -42.5066 49.9581 -42.5065 -11.4503 57.4561 49.9581 57.456 32.873 GPRESSAVG: 3844600 36.0254 -42.0674 51.5186 -43.4999 -10.1199 55.8186 49.5321 60.1702 32.6363 TIMING: 3844600 CPU: 12148.8, 0.00316797/step Wall: 12148.8, 0.00316797/step, 1.01674 hours remaining, 237.074219 MB of memory in use. ENERGY: 3844600 4023.9117 20635.7384 14453.3285 257.3591 -203386.5922 2788.9719 0.0000 0.0000 52001.7595 -109225.5231 298.8548 -161227.2826 -108867.6145 299.4349 -52.6595 -25.7058 762424.6217 19.6299 19.5139 PRESSURE: 3844800 17.5079 57.2166 112.512 57.2168 56.3675 -76.1031 112.512 -76.1032 -228.264 GPRESSURE: 3844800 130.402 -48.4286 113.762 121.803 2.89155 -26.8781 20.5411 -103.234 -178.947 PRESSAVG: 3844800 14.5655 6.36465 -1.30002 6.36457 -13.5079 13.9428 -1.30006 13.9428 -1.05615 GPRESSAVG: 3844800 16.4485 4.55526 -3.38743 8.28315 -14.8442 13.8761 -1.09402 12.2751 -1.61158 TIMING: 3844800 CPU: 12149.5, 0.00318925/step Wall: 12149.5, 0.00318925/step, 1.0234 hours remaining, 237.074219 MB of memory in use. ENERGY: 3844800 4007.4733 20554.0983 14365.7902 229.0973 -203032.6180 2572.5354 0.0000 0.0000 52159.0426 -109144.5808 299.7587 -161303.6235 -108785.6063 299.3724 -51.4629 -15.2178 763696.1101 0.0005 -0.0024 PRESSURE: 3845000 -30.5043 5.42445 95.8228 5.42426 151.12 -56.3364 95.8226 -56.3357 256.267 GPRESSURE: 3845000 56.5651 58.1606 124.457 -16.6008 226.462 -98.4697 104.165 -111.602 171.675 PRESSAVG: 3845000 28.4644 42.1968 38.6474 42.1967 8.17223 -32.0031 38.6474 -32.0031 1.67259 GPRESSAVG: 3845000 26.5941 43.7434 40.2824 41.4923 8.42997 -31.7508 37.1146 -31.311 2.5734 TIMING: 3845000 CPU: 12150.1, 0.00316137/step Wall: 12150.1, 0.00316137/step, 1.01427 hours remaining, 237.074219 MB of memory in use. ENERGY: 3845000 3976.0392 20565.4261 14517.4432 250.6860 -203491.8736 2854.6501 0.0000 0.0000 52278.6119 -109049.0171 300.4459 -161327.6290 -108683.1599 299.8336 125.6275 151.5675 762693.2549 12.7697 12.5325 PRESSURE: 3845200 -66.3368 88.8377 101.06 88.8387 266.33 -20.4007 101.061 -20.3993 -107.689 GPRESSURE: 3845200 -25.1053 40.2562 23.8203 124.668 303.65 -24.2337 199.548 68.5937 -127.428 PRESSAVG: 3845200 -94.1381 26.9626 19.5894 26.9626 81.6602 -5.90019 19.5894 -5.90019 -1.71979 GPRESSAVG: 3845200 -93.837 25.3497 18.6695 26.9693 81.2179 -5.25537 19.9472 -4.0807 -1.07177 TIMING: 3845200 CPU: 12150.7, 0.00316246/step Wall: 12150.7, 0.00316245/step, 1.01445 hours remaining, 237.074219 MB of memory in use. ENERGY: 3845200 3996.9173 20572.0789 14429.7604 258.3945 -203385.6743 2890.3908 0.0000 0.0000 52078.0963 -109160.0363 299.2935 -161238.1325 -108791.9019 299.4381 30.7681 50.3725 765689.4270 -4.7326 -4.5636 PRESSURE: 3845400 -27.1866 221.334 -74.5807 221.334 -381.893 183.594 -74.5807 183.594 101.514 GPRESSURE: 3845400 -15.9369 243.852 -53.7491 190.503 -263.165 147.597 -130.291 169.61 50.5 PRESSAVG: 3845400 -32.3113 26.7869 -15.9868 26.787 10.9978 -22.431 -15.9868 -22.431 19.3951 GPRESSAVG: 3845400 -32.8594 29.3594 -15.5573 23.4165 11.7816 -22.0128 -15.0312 -22.9854 19.6869 TIMING: 3845400 CPU: 12151.4, 0.00315871/step Wall: 12151.4, 0.00315871/step, 1.01307 hours remaining, 237.074219 MB of memory in use. ENERGY: 3845400 3904.3636 20500.5145 14405.1688 240.1410 -203334.2010 2571.5464 0.0000 0.0000 52399.6116 -109312.8551 301.1413 -161712.4667 -108949.0249 299.3380 -102.5221 -76.2005 763667.4154 -0.6395 -0.4636 PRESSURE: 3845600 -499.379 -44.9865 -127.345 -44.9859 46.0592 10.7448 -127.345 10.7435 -414.969 GPRESSURE: 3845600 -374.652 -45.2667 -42.3339 -46.863 57.3415 64.7396 -106.409 -53.0915 -460.932 PRESSAVG: 3845600 5.25856 -31.9059 -2.7595 -31.906 8.63101 -27.1798 -2.75955 -27.1797 -8.37312 GPRESSAVG: 3845600 6.78111 -33.8705 -2.15949 -29.0405 8.16866 -27.1945 -2.7216 -29.7181 -9.13927 TIMING: 3845600 CPU: 12152, 0.00318158/step Wall: 12152, 0.00318158/step, 1.02023 hours remaining, 237.074219 MB of memory in use. ENERGY: 3845600 3964.1989 20555.7868 14471.6103 260.6353 -203404.6874 2761.3578 0.0000 0.0000 52060.5629 -109330.5355 299.1928 -161391.0984 -108970.3129 299.5861 -289.4297 -259.4143 765728.1096 1.8388 1.9368 PRESSURE: 3845800 318.315 56.1254 155.843 56.1251 -190.641 -232.149 155.842 -232.149 152.482 GPRESSURE: 3845800 326.568 106.898 103.005 40.5884 -186.063 -243.626 70.9371 -299.544 228.08 PRESSAVG: 3845800 29.1459 -16.3416 25.9576 -16.3416 -25.1216 22.8866 25.9576 22.8867 13.5913 GPRESSAVG: 3845800 28.4677 -13.806 26.6006 -16.8607 -25.3001 22.9631 26.0659 22.2071 14.4066 TIMING: 3845800 CPU: 12152.6, 0.00315775/step Wall: 12152.6, 0.00315775/step, 1.01241 hours remaining, 237.074219 MB of memory in use. ENERGY: 3845800 3951.8033 20587.7674 14488.8302 249.6356 -203615.8968 2873.6194 0.0000 0.0000 52126.6935 -109337.5475 299.5728 -161464.2410 -108978.0392 299.3637 93.3853 122.8616 761922.3059 5.8719 5.8581 PRESSURE: 3846000 318.473 -39.8412 -9.66088 -39.8405 6.66163 88.2314 -9.66106 88.2313 55.6257 GPRESSURE: 3846000 363.17 -75.8233 -25.4771 -38.1027 31.4622 4.01799 -27.1767 26.7356 72.3629 PRESSAVG: 3846000 -13.7079 27.2902 25.2987 27.2902 44.0796 -7.86483 25.2987 -7.86484 -7.94837 GPRESSAVG: 3846000 -13.642 24.8752 24.0086 27.6918 44.3338 -8.93763 24.6644 -5.82695 -8.23138 TIMING: 3846000 CPU: 12153.3, 0.0031737/step Wall: 12153.3, 0.0031737/step, 1.01735 hours remaining, 237.074219 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: 3846000 3966.9390 20511.4515 14452.1842 227.1078 -203502.0521 2997.6859 0.0000 0.0000 51856.3488 -109490.3349 298.0191 -161346.6837 -109131.9585 298.8902 126.9201 155.6650 762552.1681 7.4744 7.4868 PRESSURE: 3846200 -11.3153 17.0139 88.3029 17.0141 -279.83 112.5 88.3023 112.5 -179.169 GPRESSURE: 3846200 17.2209 -22.9585 141.056 58.1286 -266.735 140.109 33.8525 89.5638 -127.974 PRESSAVG: 3846200 -90.101 -20.3597 41.6398 -20.3598 76.2247 -21.0873 41.6398 -21.0873 7.01435 GPRESSAVG: 3846200 -88.0515 -19.808 41.7476 -17.4858 74.7784 -20.1502 41.9988 -20.0308 6.44479 TIMING: 3846200 CPU: 12153.9, 0.00317297/step Wall: 12153.9, 0.00317297/step, 1.01694 hours remaining, 237.074219 MB of memory in use. ENERGY: 3846200 3981.0027 20506.7279 14430.6374 218.1265 -203142.4556 2553.6228 0.0000 0.0000 51830.0579 -109622.2803 297.8681 -161452.3382 -109269.5980 298.5996 -156.7712 -125.8293 764990.2155 -2.2873 -2.2761 PRESSURE: 3846400 421.148 6.9637 16.3725 6.96367 95.6248 -129.29 16.3733 -129.29 275.923 GPRESSURE: 3846400 527.363 2.70586 -64.3646 -54.6545 132.758 -116.442 13.829 -164.599 219.248 PRESSAVG: 3846400 30.9269 -16.3934 41.2737 -16.3935 37.8285 -38.7384 41.2737 -38.7383 13.9194 GPRESSAVG: 3846400 29.2689 -16.1731 39.6807 -20.1705 38.1418 -37.6435 42.9446 -38.18 15.6456 TIMING: 3846400 CPU: 12154.5, 0.00314734/step Wall: 12154.5, 0.00314734/step, 1.00855 hours remaining, 237.074219 MB of memory in use. ENERGY: 3846400 3926.4825 20480.1977 14436.7543 233.8248 -203515.4550 3037.6387 0.0000 0.0000 51635.7274 -109764.8295 296.7512 -161400.5569 -109406.2955 297.9969 264.2320 293.1231 763798.8433 27.5583 27.6854 PRESSURE: 3846600 -126.078 -48.9105 55.1273 -48.9097 -294.702 -19.4588 55.1276 -19.46 -34.305 GPRESSURE: 3846600 -89.2448 -93.6485 50.3584 -77.9742 -293.862 -58.3535 28.4423 -12.933 11.5241 PRESSAVG: 3846600 -16.9966 -17.967 30.6136 -17.967 -11.564 -12.2938 30.6136 -12.2939 3.67653 GPRESSAVG: 3846600 -16.618 -17.85 32.2837 -18.4802 -10.0278 -12.1474 29.2481 -15.1636 2.15018 TIMING: 3846600 CPU: 12155.2, 0.00316812/step Wall: 12155.2, 0.00316812/step, 1.01503 hours remaining, 237.074219 MB of memory in use. ENERGY: 3846600 3943.3327 20463.4764 14483.2063 238.6648 -203276.2492 2688.5328 0.0000 0.0000 51704.8162 -109754.2200 297.1483 -161459.0362 -109392.0901 297.5173 -151.6948 -123.8610 764979.6975 -8.2947 -8.1652 PRESSURE: 3846800 108.377 105.845 -130.363 105.845 341.533 105.079 -130.362 105.078 235.131 GPRESSURE: 3846800 105.922 99.3665 -104.667 -8.23536 390.355 79.8653 -57.9153 99.1229 277.418 PRESSAVG: 3846800 7.87093 35.6635 40.9534 35.6635 -24.2968 -3.68905 40.9534 -3.68904 -32.1577 GPRESSAVG: 3846800 6.40223 36.5919 41.4417 36.9437 -24.9319 -4.79535 40.9402 -2.63039 -30.1958 TIMING: 3846800 CPU: 12155.8, 0.00316504/step Wall: 12155.8, 0.00316504/step, 1.01387 hours remaining, 237.074219 MB of memory in use. ENERGY: 3846800 4018.0513 20345.0714 14423.1593 246.6334 -203026.8987 2637.5284 0.0000 0.0000 52101.0547 -109255.4002 299.4255 -161356.4549 -108901.0751 298.5651 228.3470 257.8984 762519.8100 -16.1945 -16.2418 PRESSURE: 3847000 309.771 9.78865 54.5259 9.7887 -48.0865 -82.7838 54.5261 -82.7837 -269.311 GPRESSURE: 3847000 288.71 107.744 39.1436 77.7488 26.6343 -80.3007 7.67312 -67.8831 -220.704 PRESSAVG: 3847000 -72.0852 -9.31545 24.7949 -9.31543 16.036 -45.8187 24.7949 -45.8187 -8.19553 GPRESSAVG: 3847000 -71.0577 -9.91039 23.9609 -9.88873 16.9308 -45.424 25.0931 -45.1784 -9.85228 TIMING: 3847000 CPU: 12156.4, 0.0031513/step Wall: 12156.4, 0.0031513/step, 1.00929 hours remaining, 237.074219 MB of memory in use. ENERGY: 3847000 4020.4572 20447.4216 14480.0019 243.9993 -203201.0547 2724.8973 0.0000 0.0000 52018.8528 -109265.4246 298.9531 -161284.2773 -108905.0459 299.3508 -2.5423 31.5470 761877.2836 -21.4149 -21.3264 PRESSURE: 3847200 20.8591 -185.751 -135.269 -185.751 -136.412 -37.8872 -135.269 -37.8879 -187.903 GPRESSURE: 3847200 87.7735 -105.926 -98.3578 -58.9863 -98.3395 -62.9557 -47.6409 16.9759 -213.497 PRESSAVG: 3847200 -33.0523 -7.52201 -16.8001 -7.52203 22.2125 6.58734 -16.8001 6.58735 3.28493 GPRESSAVG: 3847200 -34.3421 -8.13679 -16.3742 -6.41848 21.6871 6.01198 -17.538 6.47642 4.99459 TIMING: 3847200 CPU: 12157.1, 0.00315589/step Wall: 12157.1, 0.00315589/step, 1.01059 hours remaining, 237.074219 MB of memory in use. ENERGY: 3847200 3987.4849 20415.8483 14498.7837 248.9922 -203355.3410 3003.5400 0.0000 0.0000 51957.7522 -109242.9398 298.6019 -161200.6920 -108881.8571 299.1752 -101.1518 -74.6876 764245.3348 -2.5183 -2.5535 PRESSURE: 3847400 34.871 -102.006 -80.363 -102.006 233.535 -1.85191 -80.3638 -1.85235 199.864 GPRESSURE: 3847400 19.8774 -44.0321 -45.6232 -16.045 289.287 -78.2563 -130.048 -52.4094 245.012 PRESSAVG: 3847400 -45.8183 -36.6139 10.6356 -36.614 66.1929 7.19025 10.6356 7.19024 28.1796 GPRESSAVG: 3847400 -45.4726 -34.9747 8.65945 -36.7647 66.2282 7.7551 10.2035 7.85805 27.7529 TIMING: 3847400 CPU: 12157.7, 0.00316155/step Wall: 12157.7, 0.00316155/step, 1.01222 hours remaining, 237.074219 MB of memory in use. ENERGY: 3847400 3945.0702 20593.9022 14477.9345 241.7984 -203307.2751 2892.2641 0.0000 0.0000 51906.4248 -109249.8808 298.3069 -161156.3056 -108893.4913 299.4199 156.0900 184.7256 763611.4136 16.1847 16.1695 PRESSURE: 3847600 240.774 -175.289 -202.956 -175.289 68.3466 -326.358 -202.955 -326.355 -57.9097 GPRESSURE: 3847600 254.466 -214.267 -259.157 -176.659 75.8899 -247.533 -260.298 -79.6902 11.1638 PRESSAVG: 3847600 -4.44746 -61.0885 -24.6857 -61.0885 -32.8229 53.5379 -24.6857 53.538 -48.6013 GPRESSAVG: 3847600 -2.77702 -61.8566 -23.557 -62.8152 -33.5685 53.8259 -24.6976 55.5546 -49.6793 TIMING: 3847600 CPU: 12158.3, 0.00315724/step Wall: 12158.3, 0.00315724/step, 1.01067 hours remaining, 237.074219 MB of memory in use. ENERGY: 3847600 3904.8218 20465.1459 14546.0770 235.9292 -203094.8189 2757.7902 0.0000 0.0000 51968.8913 -109216.1635 298.6659 -161185.0548 -108846.5164 299.2468 83.7371 113.8399 762450.1356 -28.6239 -28.6749 PRESSURE: 3847800 241.034 8.65772 49.5888 8.65788 169.52 -15.5243 49.5882 -15.5238 -654.745 GPRESSURE: 3847800 232.791 34.4545 -2.48672 6.44216 241.771 25.5259 -39.7797 -164.07 -615.102 PRESSAVG: 3847800 -33.2113 -15.952 -42.7326 -15.952 64.2833 -6.9872 -42.7326 -6.98722 -22.558 GPRESSAVG: 3847800 -33.8247 -17.8485 -42.5291 -15.7501 64.0836 -6.48722 -42.5434 -8.57936 -22.162 TIMING: 3847800 CPU: 12159, 0.00317832/step Wall: 12159, 0.00317832/step, 1.01724 hours remaining, 237.074219 MB of memory in use. ENERGY: 3847800 3996.3211 20565.7411 14401.2645 241.6596 -203035.6946 2510.9371 0.0000 0.0000 51997.8950 -109321.8763 298.8326 -161319.7713 -108966.1641 299.6346 -81.3969 -46.8467 762654.9405 2.8380 2.6990 PRESSURE: 3848000 -231.053 240.836 -324.034 240.836 204.592 47.5264 -324.034 47.5267 202.933 GPRESSURE: 3848000 -193.585 263.026 -303.824 177.803 245.895 19.4649 -361.622 62.1608 197.656 PRESSAVG: 3848000 47.4712 -1.87031 70.9953 -1.87027 -16.2088 -33.9344 70.9953 -33.9344 -5.13213 GPRESSAVG: 3848000 47.1292 -1.43179 70.3467 -1.08529 -14.6927 -35.395 72.8982 -34.2913 -5.99983 TIMING: 3848000 CPU: 12159.6, 0.00318289/step Wall: 12159.6, 0.00318289/step, 1.01852 hours remaining, 237.074219 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: 3848000 3981.8171 20496.4683 14385.6100 239.8086 -202964.6504 2559.5362 0.0000 0.0000 51895.3509 -109406.0592 298.2433 -161301.4101 -109039.2169 298.5808 58.8240 83.3219 762118.6970 8.7101 8.8122 PRESSURE: 3848200 -376.404 -76.2595 -26.6554 -76.26 -462.889 -230.516 -26.6558 -230.517 -64.8543 GPRESSURE: 3848200 -169.697 -103.778 -39.6446 20.3072 -488.265 -231.935 -51.9805 -227.44 -170.196 PRESSAVG: 3848200 59.5968 37.4468 -7.24462 37.4468 -26.2245 -25.2561 -7.24464 -25.2562 0.121208 GPRESSAVG: 3848200 59.3801 36.8725 -6.12173 37.4535 -26.0413 -24.1122 -7.36595 -25.6427 0.119243 TIMING: 3848200 CPU: 12160.2, 0.00316855/step Wall: 12160.2, 0.00316855/step, 1.01376 hours remaining, 237.074219 MB of memory in use. ENERGY: 3848200 3951.9126 20504.7266 14397.5442 232.4392 -202878.1631 2264.7448 0.0000 0.0000 52192.3069 -109334.4889 299.9499 -161526.7958 -108968.1256 299.1746 -301.3824 -276.0528 763143.5516 11.1645 11.1527 LDB: ============= START OF LOAD BALANCING ============== 12172.8 LDB: ============== END OF LOAD BALANCING =============== 12172.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12172.8 LDB: ============= START OF LOAD BALANCING ============== 12173.1 LDB: Largest compute 7026 load 0.033501 is 17.1% of average load 0.195677 LDB: Average compute 0.004367 is 2.2% of average load 0.195677 LDB: TIME 12173.1 LOAD: AVG 0.195677 MAX 0.21544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 12173.1 LOAD: AVG 0.195677 MAX 0.21544 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: TIME 12173.1 LOAD: AVG 0.195677 MAX 0.21544 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: ============== END OF LOAD BALANCING =============== 12173.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12173.1 PRESSURE: 3848400 -368.901 -326.798 115.702 -326.798 236.992 40.6287 115.702 40.6285 77.926 GPRESSURE: 3848400 -227.181 -230.385 167.513 -215.196 144.151 101.302 19.1896 2.68799 123.132 PRESSAVG: 3848400 32.5234 -15.1044 -1.46258 -15.1043 -49.494 -14.8361 -1.46264 -14.8361 -0.173018 GPRESSAVG: 3848400 33.6828 -13.1434 -1.85117 -13.8255 -50.598 -15.0445 -0.460757 -15.2042 -0.0808465 TIMING: 3848400 CPU: 12160.9, 0.00324004/step Wall: 12160.9, 0.00324004/step, 1.03645 hours remaining, 236.660156 MB of memory in use. ENERGY: 3848400 3950.1673 20354.8953 14400.6976 233.4692 -203287.9938 2899.2391 0.0000 0.0000 52159.3111 -109290.2141 299.7603 -161449.5253 -108921.2346 299.0868 -17.9941 13.3674 762396.0123 -5.7145 -5.6653 PRESSURE: 3848600 185.687 47.8696 34.2589 47.8704 -160.723 -143.914 34.2588 -143.915 321.221 GPRESSURE: 3848600 282.775 10.9922 1.87939 0.401557 -42.9921 -225.603 -15.6572 11.8355 174.694 PRESSAVG: 3848600 -1.13316 39.7682 19.0653 39.7682 27.7534 -15.6048 19.0653 -15.6047 19.1865 GPRESSAVG: 3848600 -0.252136 38.9592 17.1303 38.0496 27.7458 -14.846 18.4649 -15.4762 17.8929 TIMING: 3848600 CPU: 12161.5, 0.00316097/step Wall: 12161.5, 0.00316097/step, 1.01098 hours remaining, 236.660156 MB of memory in use. ENERGY: 3848600 3981.6070 20744.5281 14398.4952 249.6441 -203619.6268 2959.0803 0.0000 0.0000 51916.1060 -109370.1662 298.3626 -161286.2722 -109005.6120 298.8396 115.3953 138.1588 761929.0464 15.2689 15.1289 PRESSURE: 3848800 161.345 50.9154 161.913 50.9158 -3.25313 -36.425 161.913 -36.4253 70.9062 GPRESSURE: 3848800 109.164 98.9257 164.381 30.7564 30.4422 3.52654 158.45 -111.57 193.797 PRESSAVG: 3848800 81.3869 22.8848 71.5504 22.8847 -57.7181 41.9922 71.5503 41.9922 -2.43466 GPRESSAVG: 3848800 81.0391 21.3343 74.0509 24.0196 -56.7558 41.2462 69.4489 43.8394 -2.97886 TIMING: 3848800 CPU: 12162.1, 0.00318514/step Wall: 12162.1, 0.00318514/step, 1.01854 hours remaining, 236.660156 MB of memory in use. ENERGY: 3848800 3907.2587 20605.1040 14397.8454 238.7542 -203518.7829 2841.3813 0.0000 0.0000 51861.5764 -109666.8629 298.0492 -161528.4393 -109304.7538 298.9405 76.3327 111.1344 761167.0636 7.0780 7.1015 PRESSURE: 3849000 -27.0069 154.698 -243.472 154.698 97.3287 1.33104 -243.471 1.33089 -231.179 GPRESSURE: 3849000 49.8043 54.5291 -240.203 96.3687 144.131 70.2706 -40.9347 -40.7434 -255.839 PRESSAVG: 3849000 67.4083 69.7022 16.1729 69.7022 -58.6287 -3.20923 16.1729 -3.20932 2.96692 GPRESSAVG: 3849000 66.4424 69.0801 16.3691 70.1123 -59.2098 -2.86943 15.8688 -4.91642 4.93085 TIMING: 3849000 CPU: 12162.8, 0.00317998/step Wall: 12162.8, 0.00317998/step, 1.01671 hours remaining, 236.660156 MB of memory in use. ENERGY: 3849000 3979.2399 20563.9866 14387.8505 250.1219 -203345.5439 2695.6762 0.0000 0.0000 51948.0061 -109520.6627 298.5459 -161468.6688 -109158.0549 298.8219 -53.6191 -20.6345 763058.4775 3.9155 4.0545 PRESSURE: 3849200 366.287 21.6753 -44.2409 21.6748 -274.071 -96.781 -44.2411 -96.7804 39.4499 GPRESSURE: 3849200 367.088 106.76 -59.3022 66.2947 -216.085 -47.1119 -37.303 -119.894 56.3267 PRESSAVG: 3849200 7.53294 62.978 37.815 62.9779 4.15484 15.2924 37.815 15.2924 -5.11411 GPRESSAVG: 3849200 7.87957 65.6938 35.879 61.5391 4.16357 14.8383 39.2715 15.9972 -5.63724 TIMING: 3849200 CPU: 12163.4, 0.00317791/step Wall: 12163.4, 0.00317792/step, 1.01587 hours remaining, 236.660156 MB of memory in use. ENERGY: 3849200 3878.7531 20513.3204 14417.7207 276.6851 -203159.8666 2539.2567 0.0000 0.0000 52028.2820 -109505.8485 299.0073 -161534.1305 -109143.2384 298.6898 43.8885 69.1099 763386.1412 2.1912 2.1353 PRESSURE: 3849400 1.5869 2.06774 111.538 2.06736 -195.541 -62.4393 111.538 -62.4387 -146.265 GPRESSURE: 3849400 3.11688 63.19 144.126 -35.2575 -124.127 -18.3084 -50.0402 -136.9 -126.359 PRESSAVG: 3849400 11.0709 50.6303 -27.8783 50.6303 -9.97504 -39.8665 -27.8783 -39.8665 -2.59215 GPRESSAVG: 3849400 11.1114 49.9698 -28.01 50.7838 -10.3289 -38.3509 -25.5964 -40.0035 -2.71168 TIMING: 3849400 CPU: 12164, 0.0031848/step Wall: 12164, 0.0031848/step, 1.0179 hours remaining, 236.863281 MB of memory in use. ENERGY: 3849400 3995.8302 20461.8506 14351.7954 231.5576 -203180.4238 2492.8468 0.0000 0.0000 52033.4848 -109613.0582 299.0372 -161646.5430 -109248.0109 298.7367 -113.4062 -82.4565 762369.5744 -0.4988 -0.6431 PRESSURE: 3849600 -200.71 98.3953 -16.3852 98.3947 -50.0404 201.743 -16.3852 201.742 -61.2563 GPRESSURE: 3849600 -220.83 111.867 -9.76245 119.121 -40.7172 129.206 -94.3288 169.759 37.1732 PRESSAVG: 3849600 10.8503 4.13374 5.72348 4.13372 -37.7356 -2.80571 5.72347 -2.80572 9.05636 GPRESSAVG: 3849600 10.8076 2.85971 5.48348 4.06486 -37.2214 -3.37673 3.4662 -3.97643 8.62434 TIMING: 3849600 CPU: 12164.7, 0.0031742/step Wall: 12164.7, 0.0031742/step, 1.01433 hours remaining, 236.863281 MB of memory in use. ENERGY: 3849600 3932.7668 20646.9023 14421.8393 244.7035 -203360.6910 2624.3712 0.0000 0.0000 51684.1538 -109805.9541 297.0295 -161490.1079 -109453.7554 298.6457 -104.0022 -74.7913 762533.2189 -5.9430 -5.9298 PRESSURE: 3849800 -80.5315 -48.7472 -153.419 -48.7461 128.253 -5.78991 -153.419 -5.78971 443.86 GPRESSURE: 3849800 -98.2352 -9.48327 -84.158 -77.2125 201.22 -50.7071 -87.0425 73.7061 471.493 PRESSAVG: 3849800 -3.28903 31.2909 -7.89188 31.2909 1.84616 -51.6956 -7.89186 -51.6956 -7.69098 GPRESSAVG: 3849800 -4.54479 31.6842 -6.02019 33.7239 3.04696 -53.3273 -7.73531 -51.7604 -7.12824 TIMING: 3849800 CPU: 12165.3, 0.00316855/step Wall: 12165.3, 0.00316855/step, 1.01235 hours remaining, 236.863281 MB of memory in use. ENERGY: 3849800 4020.3003 20524.2916 14508.0838 233.7824 -203913.5389 3060.6422 0.0000 0.0000 51754.8549 -109811.5837 297.4359 -161566.4386 -109454.2576 298.0421 163.8605 191.4924 762318.6185 -3.0446 -2.8754 PRESSURE: 3850000 238.57 112.982 -52.8464 112.984 430.111 -115.434 -52.8458 -115.434 78.6539 GPRESSURE: 3850000 269.14 156.706 -58.5005 182.619 517.93 -84.5469 40.9384 -136.075 74.3822 PRESSAVG: 3850000 -12.4862 -26.1175 -20.3067 -26.1175 0.909363 15.9687 -20.3067 15.9688 12.3968 GPRESSAVG: 3850000 -12.2881 -25.7991 -20.0799 -26.5017 0.861782 18.2862 -19.4976 16.2717 12.2944 TIMING: 3850000 CPU: 12165.9, 0.00316144/step Wall: 12165.9, 0.00316144/step, 1.0099 hours remaining, 236.863281 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: 3850000 3950.1798 20305.1061 14399.6512 245.6357 -203763.1988 2959.4331 0.0000 0.0000 52130.7868 -109772.4062 299.5963 -161903.1930 -109406.9425 298.3475 249.1118 287.1504 760119.2861 0.2733 0.2894 PRESSURE: 3850200 177.836 317.132 37.8889 317.131 96.0097 -238.411 37.8884 -238.412 -302.519 GPRESSURE: 3850200 138.087 157.179 34.3828 287.09 157.992 -302.489 127.603 -132.202 -258.685 PRESSAVG: 3850200 61.2143 37.8971 -2.63113 37.8971 -36.0784 -26.3512 -2.63111 -26.3512 -23.7155 GPRESSAVG: 3850200 61.9644 38.0547 -3.59652 36.0499 -37.1646 -26.7495 -2.37674 -27.4728 -23.4456 TIMING: 3850200 CPU: 12166.6, 0.00317068/step Wall: 12166.6, 0.00317068/step, 1.01268 hours remaining, 236.863281 MB of memory in use. ENERGY: 3850200 4003.1424 20411.2309 14459.7504 255.0989 -203298.9736 2392.5842 0.0000 0.0000 51918.1658 -109859.0009 298.3744 -161777.1667 -109499.7419 298.5332 -9.5577 12.4645 762646.1473 0.4734 0.4514 PRESSURE: 3850400 -281.981 -139.629 6.91599 -139.628 -75.674 -231.292 6.91578 -231.291 -133.195 GPRESSURE: 3850400 -309.298 -131.432 -31.9661 -122.199 18.63 -327.19 -48.0539 -198.214 -113.455 PRESSAVG: 3850400 9.72177 -23.9696 -0.713285 -23.9696 -4.84548 -30.0381 -0.713267 -30.0381 -7.32726 GPRESSAVG: 3850400 9.64372 -22.6909 -0.955604 -24.5077 -3.48742 -30.8314 -2.02856 -29.4715 -8.27278 TIMING: 3850400 CPU: 12167.2, 0.00317236/step Wall: 12167.2, 0.00317236/step, 1.01304 hours remaining, 236.863281 MB of memory in use. ENERGY: 3850400 3985.0332 20430.9531 14506.8700 267.7778 -203266.4498 2608.4264 0.0000 0.0000 51665.4997 -109801.8896 296.9223 -161467.3894 -109443.4504 298.3242 -163.6169 -134.7077 763397.8079 -0.8170 -0.7055 PRESSURE: 3850600 -534.147 44.4122 -282.515 44.4116 124.277 31.6835 -282.516 31.6826 -75.9594 GPRESSURE: 3850600 -361.77 63.9229 -174.875 47.7082 93.3707 111.204 -187.32 13.3004 -133.775 PRESSAVG: 3850600 -38.3499 -43.0239 -14.8154 -43.024 53.27 -10.1732 -14.8153 -10.1732 -18.2966 GPRESSAVG: 3850600 -37.9031 -45.0911 -13.8315 -42.2182 52.2679 -9.28877 -16.2063 -10.308 -17.6198 TIMING: 3850600 CPU: 12167.9, 0.00317033/step Wall: 12167.9, 0.00317033/step, 1.01222 hours remaining, 236.863281 MB of memory in use. ENERGY: 3850600 3950.3350 20435.5204 14502.1419 238.8040 -203195.1084 2716.2185 0.0000 0.0000 51662.0278 -109690.0608 296.9024 -161352.0886 -109332.2199 297.9518 -161.9432 -134.0581 765827.1312 -1.1255 -1.0850 PRESSURE: 3850800 -217.321 74.7288 -31.0267 74.7285 67.4181 -112.905 -31.0275 -112.904 -158.798 GPRESSURE: 3850800 -159.488 124.83 -42.8121 40.35 76.8381 -151.134 8.21143 -56.5176 -162.194 PRESSAVG: 3850800 -5.38074 -13.2996 -12.0477 -13.2996 62.7767 7.08398 -12.0477 7.08401 1.18417 GPRESSAVG: 3850800 -5.26068 -13.7396 -11.4907 -13.6395 62.4349 8.73624 -11.2176 6.4383 1.04936 TIMING: 3850800 CPU: 12168.5, 0.0031579/step Wall: 12168.5, 0.0031579/step, 1.00807 hours remaining, 236.863281 MB of memory in use. ENERGY: 3850800 3913.5679 20621.6714 14421.3113 230.7189 -203350.7474 2588.3316 0.0000 0.0000 51860.0319 -109715.1143 298.0403 -161575.1462 -109359.5887 298.5433 -102.9000 -81.6146 763210.3577 19.5267 19.4079 PRESSURE: 3851000 -52.0012 113.394 71.6821 113.393 -101.412 -8.43058 71.682 -8.43 -239.041 GPRESSURE: 3851000 -33.272 119.074 69.6285 14.4277 -75.5487 60.4366 -31.3498 -142.789 -178.724 PRESSAVG: 3851000 -3.96476 12.6589 -15.0839 12.6588 -6.82585 -5.59229 -15.0838 -5.59224 -20.6116 GPRESSAVG: 3851000 -4.36851 13.9102 -14.8324 12.2929 -5.78698 -6.71448 -16.9993 -6.61136 -21.0166 TIMING: 3851000 CPU: 12169.1, 0.00317161/step Wall: 12169.1, 0.00317161/step, 1.01227 hours remaining, 236.863281 MB of memory in use. ENERGY: 3851000 3947.7643 20501.8940 14517.2629 246.5852 -203210.1732 2477.3616 0.0000 0.0000 52026.0361 -109493.2690 298.9943 -161519.3052 -109133.3837 298.7559 -130.8183 -95.8482 762091.0553 -10.4674 -10.3907 PRESSURE: 3851200 -138.911 114.852 69.5685 114.851 -53.9755 46.8953 69.5675 46.8955 171.447 GPRESSURE: 3851200 -90.9039 100.421 114.203 127.733 21.9707 35.6558 -39.7767 -57.4195 147.812 PRESSAVG: 3851200 24.8159 25.4873 -35.7998 25.4874 11.6485 0.743402 -35.7998 0.743449 20.6856 GPRESSAVG: 3851200 25.2655 24.117 -37.2269 25.3947 11.0221 1.08377 -33.9347 0.306552 20.8418 TIMING: 3851200 CPU: 12169.8, 0.00317687/step Wall: 12169.8, 0.00317687/step, 1.01378 hours remaining, 236.863281 MB of memory in use. ENERGY: 3851200 3986.0794 20595.8295 14390.5381 228.5322 -203536.8127 2777.1872 0.0000 0.0000 51932.8320 -109625.8142 298.4587 -161558.6462 -109256.3597 299.3434 -7.1467 26.2930 762434.2206 19.0500 19.0431 PRESSURE: 3851400 98.3865 40.2475 -1.03138 40.2469 -13.3467 264.622 -1.03125 264.621 -70.5244 GPRESSURE: 3851400 124.633 88.9921 26.2501 92.6126 31.8006 366.977 -2.69087 196.01 -50.5196 PRESSAVG: 3851400 -2.79692 53.5145 6.73175 53.5145 -14.366 -33.2442 6.73178 -33.2441 26.1348 GPRESSAVG: 3851400 -2.71379 56.9651 8.49935 53.3906 -14.197 -33.4017 7.48169 -31.0595 26.2602 TIMING: 3851400 CPU: 12170.4, 0.00316162/step Wall: 12170.4, 0.00316162/step, 1.00873 hours remaining, 236.863281 MB of memory in use. ENERGY: 3851400 3912.5521 20431.2528 14517.3810 244.8935 -203619.9632 2719.8617 0.0000 0.0000 52139.1780 -109654.8441 299.6446 -161794.0222 -109282.6907 298.7627 4.8385 35.3046 762921.8207 2.9906 3.1165 PRESSURE: 3851600 -267.685 17.173 135.079 17.1735 -330.295 -50.2904 135.079 -50.2914 -414.276 GPRESSURE: 3851600 -267.178 74.4955 24.1496 31.6296 -209.061 -61.5117 97.8279 6.65672 -452.26 PRESSAVG: 3851600 23.4557 1.01662 34.2811 1.0166 -9.65318 47.3019 34.2811 47.3019 -15.9741 GPRESSAVG: 3851600 23.0329 1.13628 33.0364 2.69967 -8.22713 46.5433 33.3324 45.903 -16.718 TIMING: 3851600 CPU: 12171, 0.0031617/step Wall: 12171, 0.0031617/step, 1.00858 hours remaining, 236.863281 MB of memory in use. ENERGY: 3851600 3967.8674 20539.1248 14424.9175 243.5387 -203609.5496 2665.3586 0.0000 0.0000 52065.0330 -109703.7095 299.2185 -161768.7425 -109344.4099 298.6607 -337.4185 -309.4997 763160.2589 -0.7238 -0.6374 PRESSURE: 3851800 441.46 104.586 -28.3702 104.587 -159.108 -78.3903 -28.3706 -78.3897 22.107 GPRESSURE: 3851800 465.743 51.8461 3.11485 92.2231 -122.63 -71.499 -30.8408 -96.3458 15.348 PRESSAVG: 3851800 -2.51159 20.3897 -45.4803 20.3897 27.2549 -12.2631 -45.4804 -12.263 -5.66535 GPRESSAVG: 3851800 -2.65483 17.8323 -46.135 18.8501 27.8681 -11.6401 -46.0533 -12.5578 -5.40081 TIMING: 3851800 CPU: 12171.6, 0.00315424/step Wall: 12171.6, 0.00315424/step, 1.00603 hours remaining, 236.863281 MB of memory in use. ENERGY: 3851800 3938.2489 20466.5354 14458.9561 253.2477 -203483.0904 2773.5790 0.0000 0.0000 51763.0951 -109829.4281 297.4832 -161592.5232 -109467.5031 298.6912 101.4865 119.4871 763750.9907 6.3593 6.6042 PRESSURE: 3852000 188.903 190.996 4.61063 190.995 -478.21 -43.6965 4.61235 -43.6963 -323.81 GPRESSURE: 3852000 138.469 236.913 19.4665 212.602 -408.967 -14.8158 54.777 -104.681 -265.36 PRESSAVG: 3852000 28.1898 5.71733 -22.7039 5.71732 -2.95363 17.8181 -22.7038 17.8181 -6.43183 GPRESSAVG: 3852000 27.4332 5.8168 -20.942 6.07231 -2.85117 17.0611 -21.5675 20.0246 -5.83123 TIMING: 3852000 CPU: 12172.3, 0.003153/step Wall: 12172.3, 0.003153/step, 1.00546 hours remaining, 236.863281 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: 3852000 3985.2535 20501.0406 14462.5271 247.6653 -203508.1218 2681.9543 0.0000 0.0000 52133.5491 -109496.1319 299.6122 -161629.6810 -109141.3085 298.0890 -204.3725 -178.6196 764513.0888 6.2681 6.2503 PRESSURE: 3852200 -61.3295 118.634 -89.9307 118.634 -113.768 141.3 -89.9302 141.298 204.651 GPRESSURE: 3852200 -29.6295 181.087 -98.5454 167.685 -42.2137 -5.14478 -25.2176 90.7959 225.898 PRESSAVG: 3852200 22.4242 12.0132 14.6566 12.0131 -41.9976 -31.3153 14.6566 -31.3153 5.30659 GPRESSAVG: 3852200 23.374 12.5145 13.6233 13.0195 -42.5578 -29.7002 14.9205 -33.3054 4.95666 TIMING: 3852200 CPU: 12172.9, 0.00316293/step Wall: 12172.9, 0.00316293/step, 1.00845 hours remaining, 236.863281 MB of memory in use. ENERGY: 3852200 3973.1230 20552.9866 14417.2355 238.4277 -203230.5216 2584.7298 0.0000 0.0000 52081.1608 -109382.8582 299.3111 -161464.0190 -109022.1208 298.8705 9.8511 51.3517 763413.1623 -4.7556 -4.7424 LDB: ============= START OF LOAD BALANCING ============== 12185.4 LDB: ============== END OF LOAD BALANCING =============== 12185.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.4 LDB: ============= START OF LOAD BALANCING ============== 12185.8 LDB: Largest compute 7076 load 0.033869 is 17.3% of average load 0.195787 LDB: Average compute 0.004354 is 2.2% of average load 0.195787 LDB: TIME 12185.8 LOAD: AVG 0.195787 MAX 0.214259 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.059 MB LDB: TIME 12185.8 LOAD: AVG 0.195787 MAX 0.214259 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.059 MB LDB: TIME 12185.8 LOAD: AVG 0.195787 MAX 0.214259 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.059 MB LDB: ============== END OF LOAD BALANCING =============== 12185.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.8 PRESSURE: 3852400 122.546 -261.913 -4.18867 -261.914 216.177 -28.3466 -4.18975 -28.3469 314.301 GPRESSURE: 3852400 125.465 -193.378 34.4852 -225.334 309.906 -48.5017 -110.767 30.2516 297.072 PRESSAVG: 3852400 13.0573 -18.4696 15.3747 -18.4696 16.1061 -4.77409 15.3747 -4.77405 -6.36742 GPRESSAVG: 3852400 12.3561 -18.4256 15.059 -19.4221 16.6839 -5.28726 12.2602 -2.83331 -5.86572 TIMING: 3852400 CPU: 12173.6, 0.00322948/step Wall: 12173.6, 0.00322948/step, 1.02949 hours remaining, 237.101562 MB of memory in use. ENERGY: 3852400 4013.5853 20550.7961 14490.6727 241.7363 -203689.0337 2885.5685 0.0000 0.0000 51965.9892 -109540.6856 298.6493 -161506.6747 -109172.0282 299.1100 217.6746 244.1476 760930.8407 7.5986 7.7248 PRESSURE: 3852600 -291.805 41.7147 138.429 41.7143 5.65755 103.049 138.429 103.049 -207.809 GPRESSURE: 3852600 -241.324 -12.5263 114.169 -10.8332 33.2073 29.5519 22.9779 98.5936 -200.555 PRESSAVG: 3852600 -25.0752 -9.43695 -34.5739 -9.43701 29.428 -26.0809 -34.5739 -26.0808 -2.10827 GPRESSAVG: 3852600 -24.4689 -9.54895 -34.4878 -9.22467 28.9306 -26.8234 -34.5372 -27.8207 -2.27536 TIMING: 3852600 CPU: 12174.2, 0.00316945/step Wall: 12174.2, 0.00316945/step, 1.01017 hours remaining, 237.507812 MB of memory in use. ENERGY: 3852600 4027.9243 20638.3645 14426.5187 252.8686 -203567.6507 2715.7621 0.0000 0.0000 51944.6565 -109561.5560 298.5267 -161506.2125 -109192.4315 298.9642 -164.6522 -136.2238 762103.1740 0.7482 0.7288 PRESSURE: 3852800 -137.189 -6.28927 -199.68 -6.28897 -335.954 206.693 -199.681 206.692 -86.672 GPRESSURE: 3852800 -225.846 -117.703 -234.464 -48.1646 -223.154 99.367 -73.5719 260.839 -46.7265 PRESSAVG: 3852800 13.8324 -17.1331 -15.6303 -17.1331 -23.3193 34.9153 -15.6303 34.9153 -7.30391 GPRESSAVG: 3852800 12.5178 -15.8757 -16.9701 -18.4383 -22.3886 36.0378 -14.9649 36.5835 -7.26951 TIMING: 3852800 CPU: 12174.8, 0.00315477/step Wall: 12174.8, 0.00315477/step, 1.00532 hours remaining, 237.765625 MB of memory in use. ENERGY: 3852800 3960.9711 20831.8296 14463.6232 251.3209 -203403.4801 2593.1404 0.0000 0.0000 51895.6320 -109406.9629 298.2449 -161302.5949 -109049.9195 299.2641 -186.6048 -165.2423 761864.1543 -5.5969 -5.7134 PRESSURE: 3853000 264.563 -7.38917 -374.626 -7.38758 51.1018 25.2154 -374.626 25.2152 -260.476 GPRESSURE: 3853000 328.931 117.983 -372.474 -22.4989 56.1765 101.29 -183.574 -27.4755 -249.56 PRESSAVG: 3853000 -39.9542 -6.33406 -62.32 -6.33405 21.6253 21.0554 -62.32 21.0554 4.95832 GPRESSAVG: 3853000 -38.8832 -7.43125 -61 -6.49094 20.7835 18.7699 -60.2742 21.5324 4.80271 TIMING: 3853000 CPU: 12175.5, 0.00316338/step Wall: 12175.5, 0.00316338/step, 1.00789 hours remaining, 237.765625 MB of memory in use. ENERGY: 3853000 4047.2734 20459.0530 14423.6542 237.5815 -203634.7223 2918.9217 0.0000 0.0000 52087.1057 -109461.1329 299.3453 -161548.2386 -109098.2612 298.9767 18.3964 45.1825 761299.2341 -4.4569 -4.4323 PRESSURE: 3853200 -482.362 -144.292 -159.889 -144.292 -132.56 -236.713 -159.889 -236.713 -233.915 GPRESSURE: 3853200 -340.375 -104.275 -139.748 -66.0321 -148.354 -124.982 -242.208 -231.538 -282.514 PRESSAVG: 3853200 33.469 16.927 -37.0428 16.9271 -47.4537 16.1063 -37.0427 16.1063 -13.3411 GPRESSAVG: 3853200 32.3986 15.7337 -39.0357 19.79 -47.3582 17.3191 -37.8083 13.8383 -13.0833 TIMING: 3853200 CPU: 12176.1, 0.00315627/step Wall: 12176.1, 0.00315627/step, 1.00545 hours remaining, 237.765625 MB of memory in use. ENERGY: 3853200 3961.3395 20530.4679 14453.7191 265.1999 -203677.3446 2654.0571 0.0000 0.0000 52277.8725 -109534.6888 300.4417 -161812.5613 -109172.1901 299.3182 -282.9459 -257.0810 762850.8686 -9.1086 -9.3476 PRESSURE: 3853400 323.135 46.5654 338.049 46.5651 348.404 69.3356 338.049 69.3358 283.029 GPRESSURE: 3853400 377.243 27.5522 398.671 174.374 306.996 69.5637 207.881 37.7359 351.102 PRESSAVG: 3853400 -19.8596 24.6027 9.76213 24.6027 -9.63601 6.54389 9.76211 6.5439 0.816093 GPRESSAVG: 3853400 -19.5817 26.6407 10.3754 21.955 -9.45015 4.6523 8.62904 7.15636 0.0208278 TIMING: 3853400 CPU: 12176.7, 0.00315207/step Wall: 12176.7, 0.00315207/step, 1.00393 hours remaining, 237.765625 MB of memory in use. ENERGY: 3853400 3928.7807 20561.6743 14399.0871 269.7580 -203828.4792 2931.0759 0.0000 0.0000 52107.9923 -109630.1109 299.4653 -161738.1032 -109268.0110 299.2361 318.1893 345.1136 760615.2490 -9.5598 -9.6703 PRESSURE: 3853600 -553.572 -182.032 -16.1738 -182.032 -382.809 -285.363 -16.1735 -285.362 -564.113 GPRESSURE: 3853600 -490.069 -181.897 -43.7272 -293.69 -393.686 -333.946 -42.7979 -262.278 -525.163 PRESSAVG: 3853600 -37.0326 -7.58055 5.98791 -7.58062 38.0895 -20.1583 5.98785 -20.1583 8.36261 GPRESSAVG: 3853600 -36.1436 -8.72524 4.81652 -6.67238 35.9354 -18.0454 7.29234 -20.2783 9.60851 TIMING: 3853600 CPU: 12177.3, 0.0031642/step Wall: 12177.3, 0.0031642/step, 1.00762 hours remaining, 237.765625 MB of memory in use. ENERGY: 3853600 4048.7001 20609.4896 14464.6240 257.1896 -203161.1614 2168.8815 0.0000 0.0000 52048.1560 -109564.1205 299.1215 -161612.2765 -109194.1335 298.8469 -500.1648 -469.6392 763337.1696 3.1398 3.1334 PRESSURE: 3853800 344.652 223.671 -208.677 223.671 137.986 -1.80256 -208.677 -1.80157 204.687 GPRESSURE: 3853800 304.716 216.292 -254.031 151.289 205.941 -58.0937 -285.403 -26.5824 266.199 PRESSAVG: 3853800 -40.6664 45.9443 -20.539 45.9444 45.5591 -29.1462 -20.539 -29.1462 -19.8084 GPRESSAVG: 3853800 -41.6703 47.247 -18.8163 43.8522 46.9943 -27.8358 -21.2998 -31.2359 -19.961 TIMING: 3853800 CPU: 12178, 0.00316738/step Wall: 12178, 0.00316738/step, 1.00846 hours remaining, 237.765625 MB of memory in use. ENERGY: 3853800 3999.7847 20582.7381 14374.1016 251.9536 -203708.6957 2988.1146 0.0000 0.0000 52299.2815 -109212.7216 300.5647 -161512.0032 -108860.2446 299.3660 229.1084 258.9518 761707.7991 -4.9719 -4.8790 PRESSURE: 3854000 -52.2666 16.1266 109.027 16.1269 -16.9106 -118.482 109.027 -118.482 -56.9635 GPRESSURE: 3854000 -49.689 28.1609 69.2494 120.897 -4.60344 -61.5375 241.369 -176.541 -5.5616 PRESSAVG: 3854000 -10.8843 43.1642 22.1877 43.1642 10.8832 10.1992 22.1877 10.1992 34.1116 GPRESSAVG: 3854000 -10.1878 43.1616 21.9693 43.2252 12.5724 8.98534 21.7193 13.0637 32.3838 TIMING: 3854000 CPU: 12178.6, 0.00315783/step Wall: 12178.6, 0.00315783/step, 1.00524 hours remaining, 237.863281 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: 3854000 4018.6159 20674.3144 14456.8590 241.2980 -203654.0477 2771.0002 0.0000 0.0000 52137.2660 -109354.6941 299.6336 -161491.9601 -108989.8071 299.5144 -42.0469 -19.9513 761744.6353 11.3702 11.5895 PRESSURE: 3854200 -237.156 83 59.7689 82.9996 116.628 61.3898 59.7684 61.3902 -88.268 GPRESSURE: 3854200 -133.005 18.2041 -34.2008 87.5389 108.297 37.1051 65.5791 150.805 -85.9916 PRESSAVG: 3854200 -0.0959083 30.8189 46.4499 30.8188 67.0074 -0.999647 46.45 -0.99966 9.7729 GPRESSAVG: 3854200 -0.697255 30.1053 46.6478 32.896 67.1 -2.66461 47.3876 -2.30046 10.3593 TIMING: 3854200 CPU: 12179.2, 0.00316605/step Wall: 12179.2, 0.00316605/step, 1.00768 hours remaining, 237.863281 MB of memory in use. ENERGY: 3854200 3987.7580 20569.9004 14505.5730 234.2324 -203452.0138 2956.4951 0.0000 0.0000 51907.0463 -109291.0085 298.3105 -161198.0548 -108934.1283 299.0976 -69.5987 -36.8999 764481.9436 25.5614 25.5873 PRESSURE: 3854400 -2.36976 -22.5394 -110.294 -22.539 -216.1 -96.3272 -110.294 -96.3267 134.926 GPRESSURE: 3854400 65.4343 13.3719 -196.198 61.1423 -161.324 -94.8541 -61.9365 -104.506 89.4188 PRESSAVG: 3854400 -26.877 -1.44741 43.4683 -1.44738 58.5637 -65.4645 43.4683 -65.4645 28.4942 GPRESSAVG: 3854400 -25.7045 -2.20494 43.1075 -2.01259 56.2583 -65.9375 44.0468 -63.0341 29.2875 TIMING: 3854400 CPU: 12179.9, 0.00316876/step Wall: 12179.9, 0.00316876/step, 1.00837 hours remaining, 237.863281 MB of memory in use. ENERGY: 3854400 4031.0397 20555.0286 14519.6941 249.5761 -203292.4529 2698.3491 0.0000 0.0000 52097.9355 -109140.8298 299.4076 -161238.7652 -108788.5043 299.6998 -27.8478 -2.1570 761499.5653 20.0603 19.9471 PRESSURE: 3854600 70.888 134 -167.341 134 26.625 -50.813 -167.342 -50.8133 217.584 GPRESSURE: 3854600 114.874 -51.9632 -126.233 120.071 57.7377 -24.2969 -116.879 -21.4356 221.547 PRESSAVG: 3854600 -0.943701 -24.3225 23.6342 -24.3224 -2.54332 -25.6432 23.6342 -25.6432 -21.5878 GPRESSAVG: 3854600 -1.05721 -22.528 23.482 -25.753 -0.881954 -23.7703 24.0655 -26.6688 -22.9647 TIMING: 3854600 CPU: 12180.5, 0.00316667/step Wall: 12180.5, 0.00316667/step, 1.00753 hours remaining, 237.863281 MB of memory in use. ENERGY: 3854600 4007.8307 20479.3925 14468.5817 259.3766 -203831.4107 3195.9381 0.0000 0.0000 52194.7813 -109225.5099 299.9641 -161420.2911 -108856.0731 299.4809 105.0323 131.3862 761332.1243 -8.3583 -8.3013 PRESSURE: 3854800 535.751 49.9014 -58.9247 49.9013 32.5305 83.0104 -58.9245 83.0103 263.051 GPRESSURE: 3854800 460.872 13.6346 -34.1088 -27.7387 106.673 100.657 84.2912 115.665 334.93 PRESSAVG: 3854800 -68.2579 3.46002 51.5538 3.46005 65.3335 28.0206 51.5538 28.0205 -11.663 GPRESSAVG: 3854800 -69.1821 2.52236 51.7561 5.94841 64.9162 28.1863 52.0192 25.4633 -11.2602 TIMING: 3854800 CPU: 12181.1, 0.00316768/step Wall: 12181.1, 0.00316768/step, 1.00767 hours remaining, 237.933594 MB of memory in use. ENERGY: 3854800 3955.3666 20552.1695 14433.3045 254.2918 -203687.6889 2902.5124 0.0000 0.0000 52056.5052 -109533.5389 299.1695 -161590.0441 -109176.4478 298.8446 277.1106 300.8252 760992.3353 -4.8625 -5.1753 PRESSURE: 3855000 -371.582 -154.876 138.453 -154.875 -29.8153 15.8107 138.453 15.8104 -326.04 GPRESSURE: 3855000 -342.932 -220.514 133.976 -290.239 -5.34431 -68.5575 32.5106 3.1382 -297.063 PRESSAVG: 3855000 -27.4456 -36.8064 20.1264 -36.8064 43.3114 42.017 20.1264 42.017 -7.00464 GPRESSAVG: 3855000 -27.2492 -38.1579 20.2373 -38.9329 42.5504 42.3779 20.1435 42.6769 -6.66818 TIMING: 3855000 CPU: 12181.8, 0.00313442/step Wall: 12181.8, 0.00313442/step, 0.99692 hours remaining, 237.863281 MB of memory in use. ENERGY: 3855000 4010.1191 20566.9402 14438.3886 251.4550 -203378.8681 2660.8848 0.0000 0.0000 51932.5133 -109518.5671 298.4569 -161451.0804 -109159.4867 298.7530 -242.4792 -215.1131 763293.7699 2.9537 2.8776 PRESSURE: 3855200 213.483 -218.275 121.631 -218.273 -118.345 12.3929 121.63 12.3938 -374.784 GPRESSURE: 3855200 252.776 -14.0085 175.992 -201.793 -88.2654 -19.5666 256.341 97.2814 -333.475 PRESSAVG: 3855200 -27.1541 -60.7497 24.1923 -60.7496 15.1335 29.4025 24.1923 29.4025 -26.5608 GPRESSAVG: 3855200 -25.8648 -59.7235 24.1296 -59.224 14.864 30.7127 23.5957 29.1524 -27.2129 TIMING: 3855200 CPU: 12182.4, 0.0031505/step Wall: 12182.4, 0.0031505/step, 1.00186 hours remaining, 237.863281 MB of memory in use. ENERGY: 3855200 3999.4394 20446.6393 14431.5435 232.0409 -203421.4476 2733.5934 0.0000 0.0000 52106.2888 -109471.9024 299.4556 -161578.1912 -109121.7471 298.4528 -93.2152 -56.3214 762328.3523 -12.8605 -12.7379 PRESSURE: 3855400 36.4847 127.338 49.1837 127.339 -78.2764 138.321 49.1836 138.321 1.35961 GPRESSURE: 3855400 98.7795 204.869 130.972 142.088 -132.491 -35.8642 63.5836 199.365 92.7076 PRESSAVG: 3855400 -11.5994 -55.8468 -20.4579 -55.8468 25.5171 29.2345 -20.4579 29.2345 -10.4059 GPRESSAVG: 3855400 -13.0522 -54.4172 -20.6554 -56.178 25.9678 26.7568 -21.3532 31.8775 -9.49994 TIMING: 3855400 CPU: 12183, 0.00316118/step Wall: 12183, 0.00316118/step, 1.00508 hours remaining, 237.863281 MB of memory in use. ENERGY: 3855400 3966.7800 20516.2156 14454.0527 255.4558 -203812.3944 2991.4052 0.0000 0.0000 52134.5880 -109493.8971 299.6182 -161628.4851 -109126.9909 298.9499 -13.4774 19.6654 761691.6823 1.1706 1.1386 PRESSURE: 3855600 7.33368 274.214 -67.3479 274.212 436.52 204.373 -67.347 204.372 -295.111 GPRESSURE: 3855600 80.7987 169.07 -90.4566 355.239 466.302 283.018 -11.7339 109.912 -315.629 PRESSAVG: 3855600 -23.2042 2.33225 -57.2857 2.33227 17.5562 43.0887 -57.2857 43.0887 5.28553 GPRESSAVG: 3855600 -22.629 -0.0234759 -57.9564 1.41205 16.8837 44.0468 -56.4187 40.9915 4.80628 TIMING: 3855600 CPU: 12183.7, 0.00318539/step Wall: 12183.7, 0.00318539/step, 1.0126 hours remaining, 237.863281 MB of memory in use. ENERGY: 3855600 4020.0843 20644.5071 14476.7707 255.7463 -203563.6497 2820.3500 0.0000 0.0000 52057.3191 -109288.8723 299.1741 -161346.1914 -108931.7325 299.1790 49.5812 77.1572 763190.6765 -0.1208 -0.3130 PRESSURE: 3855800 118.09 57.1021 107.486 57.103 -274.13 110.645 107.485 110.646 -293.8 GPRESSURE: 3855800 57.6949 54.0666 26.6803 113.468 -161.422 79.8377 200.307 44.6716 -255.5 PRESSAVG: 3855800 -6.53979 10.5741 61.873 10.5741 12.4289 18.4484 61.873 18.4484 -4.92069 GPRESSAVG: 3855800 -6.69693 11.2282 62.2653 12.1392 12.2406 16.8781 62.5315 19.6749 -4.88882 TIMING: 3855800 CPU: 12184.3, 0.00316617/step Wall: 12184.3, 0.00316617/step, 1.00631 hours remaining, 237.863281 MB of memory in use. ENERGY: 3855800 3982.1604 20436.9438 14466.5940 254.3610 -203487.3700 2686.7346 0.0000 0.0000 52111.1590 -109549.4172 299.4835 -161660.5762 -109181.3092 298.9797 -149.9467 -119.7424 764299.9956 0.3228 0.2183 PRESSURE: 3856000 -113.878 157.735 -175.462 157.735 -238.416 167.592 -175.462 167.592 -112.219 GPRESSURE: 3856000 -109.051 108.775 -192.732 267.353 -225.383 184.613 -41.9585 199.781 -40.8153 PRESSAVG: 3856000 -31.5351 13.5719 25.2928 13.5719 24.2154 40.4434 25.2928 40.4433 -5.93175 GPRESSAVG: 3856000 -31.3723 14.3344 25.3712 13.0274 23.7802 42.0049 23.1829 41.4663 -5.76562 TIMING: 3856000 CPU: 12184.9, 0.00317395/step Wall: 12184.9, 0.00317395/step, 1.00861 hours remaining, 237.863281 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: 3856000 3982.8788 20634.1995 14462.1083 236.9103 -203415.2439 2697.2146 0.0000 0.0000 52034.2818 -109367.6505 299.0417 -161401.9324 -109005.5690 299.0678 -154.8378 -125.0831 762431.1272 -4.4172 -4.4526 PRESSURE: 3856200 19.0913 51.7173 -132.335 51.7177 -99.4516 29.8046 -132.335 29.8035 -132.89 GPRESSURE: 3856200 50.9501 85.5957 -188.99 78.709 -58.5273 -51.2713 -18.1138 -14.6111 -101.908 PRESSAVG: 3856200 21.4342 12.8239 -62.9314 12.8239 -21.7708 34.3312 -62.9314 34.3312 7.39234 GPRESSAVG: 3856200 21.7303 12.2861 -63.6311 12.8772 -21.8536 33.1905 -60.3596 32.3541 7.58943 TIMING: 3856200 CPU: 12185.6, 0.00316051/step Wall: 12185.6, 0.00316051/step, 1.00416 hours remaining, 237.863281 MB of memory in use. ENERGY: 3856200 3944.9126 20575.6048 14475.1917 233.8709 -203519.3002 2737.6988 0.0000 0.0000 52342.1037 -109209.9177 300.8108 -161552.0214 -108849.5228 299.6356 -71.0834 -36.4951 764148.9930 2.3519 2.4887 LDB: ============= START OF LOAD BALANCING ============== 12198.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12198.1 LDB: =============== DONE WITH MIGRATION ================ 12198.1 LDB: ============= START OF LOAD BALANCING ============== 12198.4 LDB: Largest compute 7057 load 0.034711 is 17.8% of average load 0.195517 LDB: Average compute 0.004378 is 2.2% of average load 0.195517 LDB: TIME 12198.4 LOAD: AVG 0.195517 MAX 0.214471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.574 MB LDB: TIME 12198.4 LOAD: AVG 0.195517 MAX 0.214471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.574 MB LDB: TIME 12198.4 LOAD: AVG 0.195517 MAX 0.214471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.574 MB LDB: ============== END OF LOAD BALANCING =============== 12198.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12198.4 PRESSURE: 3856400 -203.363 -196.349 -54.5417 -196.35 -194.334 -116.119 -54.542 -116.119 -69.2151 GPRESSURE: 3856400 -229.215 -168.788 -73.0915 -321.235 -74.2763 6.9844 -125.962 63.7726 -76.0543 PRESSAVG: 3856400 11.2328 0.117556 -15.9565 0.117533 -11.4749 20.6138 -15.9565 20.6138 -5.26125 GPRESSAVG: 3856400 10.4946 2.12349 -15.2391 -1.54884 -11.3668 20.9259 -16.6975 21.5145 -4.32514 TIMING: 3856400 CPU: 12186.2, 0.00326233/step Wall: 12186.2, 0.00326233/step, 1.03633 hours remaining, 236.164062 MB of memory in use. ENERGY: 3856400 4014.0787 20799.9331 14442.7975 243.6383 -203269.7965 2672.5489 0.0000 0.0000 51850.1414 -109246.6586 297.9835 -161096.8000 -108889.8638 299.3528 -155.6372 -126.5151 763338.7401 -1.8345 -1.7324 PRESSURE: 3856600 412.654 -13.2409 174.84 -13.2411 -176.715 -107.129 174.84 -107.129 77.5405 GPRESSURE: 3856600 464.679 -26.8743 61.1513 -46.2335 -55.4723 -129.882 176.575 -75.9968 18.5597 PRESSAVG: 3856600 -5.44044 -41.7298 -37.3068 -41.7298 10.4661 69.4535 -37.3067 69.4535 5.65807 GPRESSAVG: 3856600 -6.20235 -44.6644 -38.2393 -39.5367 11.5582 70.193 -38.124 70.1615 5.01631 TIMING: 3856600 CPU: 12186.9, 0.00317645/step Wall: 12186.9, 0.00317645/step, 1.00887 hours remaining, 236.367188 MB of memory in use. ENERGY: 3856600 4025.1660 20521.4121 14510.9677 231.3669 -203685.2696 3067.9746 0.0000 0.0000 52226.4493 -109101.9330 300.1461 -161328.3823 -108744.1232 299.8703 104.4930 142.5889 762127.1322 3.5612 3.4574 PRESSURE: 3856800 208.382 -54.608 0.701056 -54.6082 198.224 365.886 0.700268 365.886 -128.204 GPRESSURE: 3856800 163.597 -68.0635 18.4027 45.2982 237.208 264.156 0.823098 269.132 -45.6173 PRESSAVG: 3856800 1.5844 -26.261 -2.2318 -26.261 3.00204 22.8543 -2.23181 22.8543 9.63884 GPRESSAVG: 3856800 1.40559 -26.2262 -0.999576 -24.3931 3.88396 21.3337 -4.04975 19.3396 8.49774 TIMING: 3856800 CPU: 12187.5, 0.00316365/step Wall: 12187.5, 0.00316365/step, 1.00463 hours remaining, 236.367188 MB of memory in use. ENERGY: 3856800 4009.1221 20690.9950 14447.8689 250.8125 -203700.7616 2974.0586 0.0000 0.0000 52104.8640 -109223.0404 299.4474 -161327.9045 -108869.5246 300.7484 92.8007 118.3961 762186.1693 4.7418 4.5958 PRESSURE: 3857000 113.978 32.6791 -105.049 32.6787 74.4447 -87.5821 -105.05 -87.5823 -174.188 GPRESSURE: 3857000 178.773 136.023 -44.7702 -70.3326 39.3926 -40.1789 -105.622 -35.3528 -112.127 PRESSAVG: 3857000 45.4653 21.6565 18.5702 21.6565 -26.4832 17.97 18.5702 17.9699 -1.12882 GPRESSAVG: 3857000 45.7173 22.9294 18.3668 18.1993 -27.8518 20.1348 20.1804 19.5708 -0.110257 TIMING: 3857000 CPU: 12188.1, 0.00318315/step Wall: 12188.1, 0.00318315/step, 1.01065 hours remaining, 236.367188 MB of memory in use. ENERGY: 3857000 4013.0787 20536.5443 14518.8506 247.9094 -203187.7308 2534.8148 0.0000 0.0000 52165.6742 -109170.8589 299.7968 -161336.5331 -108808.2330 300.2803 4.7448 35.3461 762613.3757 5.9511 5.9184 PRESSURE: 3857200 -165.484 197.495 -68.2646 197.495 140.131 41.9492 -68.2645 41.9498 147.256 GPRESSURE: 3857200 -87.9412 115.696 -151.395 75.2177 148.247 12.6439 -81.4069 19.7733 143.45 PRESSAVG: 3857200 -54.9389 9.87362 -47.9165 9.87358 -24.2092 28.1239 -47.9165 28.1239 -27.4558 GPRESSAVG: 3857200 -54.6381 9.36228 -48.4608 11.9523 -24.9078 27.4298 -50.2399 29.2769 -27.5068 TIMING: 3857200 CPU: 12188.8, 0.00317537/step Wall: 12188.8, 0.00317537/step, 1.008 hours remaining, 236.367188 MB of memory in use. ENERGY: 3857200 3985.4421 20773.7040 14469.3995 240.5199 -203392.0633 2539.0519 0.0000 0.0000 52392.3140 -108991.6319 301.0993 -161383.9459 -108619.8831 300.1403 40.6343 67.9184 761797.7066 -35.5346 -35.6842 PRESSURE: 3857400 74.8726 -98.7619 137.582 -98.7619 -210.044 204.627 137.582 204.626 -285.495 GPRESSURE: 3857400 124.118 -69.8408 88.3965 -30.4284 -185.41 171.573 140.659 108.951 -281.957 PRESSAVG: 3857400 58.1977 -13.6745 14.4136 -13.6745 -19.1614 44.3625 14.4136 44.3626 -5.5168 GPRESSAVG: 3857400 57.1575 -12.2354 15.6047 -14.4062 -18.1778 43.7211 15.7389 43.9692 -5.68204 TIMING: 3857400 CPU: 12189.4, 0.00315424/step Wall: 12189.4, 0.00315424/step, 1.00112 hours remaining, 236.367188 MB of memory in use. ENERGY: 3857400 3978.3741 20655.3676 14378.4902 233.7382 -203210.4652 2750.0836 0.0000 0.0000 51901.4068 -109313.0047 298.2781 -161214.4115 -108955.7884 299.7910 -140.2222 -114.4160 763181.3442 11.1732 11.0992 PRESSURE: 3857600 208.444 -52.6467 -82.0466 -52.647 373.927 -261.409 -82.0462 -261.409 -163.014 GPRESSURE: 3857600 244.972 -56.8292 -23.9675 -72.9111 387.832 -292.986 -100.327 -208.952 -123.512 PRESSAVG: 3857600 14.5587 -33.2271 19.5318 -33.227 -12.2365 -18.3198 19.5318 -18.3198 17.0846 GPRESSAVG: 3857600 15.0109 -35.3918 19.6309 -32.4096 -12.1612 -18.5435 19.5517 -18.6447 16.5277 TIMING: 3857600 CPU: 12190, 0.00318082/step Wall: 12190, 0.00318082/step, 1.00938 hours remaining, 236.367188 MB of memory in use. ENERGY: 3857600 3986.3195 20492.5005 14349.9009 224.3609 -203409.7145 2874.3148 0.0000 0.0000 52153.6640 -109328.6539 299.7278 -161482.3179 -108967.3330 299.7971 139.7857 169.7639 761338.8950 6.4689 6.4591 PRESSURE: 3857800 77.9934 15.5316 -198.487 15.5315 -36.0928 -111.089 -198.488 -111.089 83.6239 GPRESSURE: 3857800 78.4453 -85.5338 -211.566 15.4715 25.5029 6.53849 -149.769 -72.7413 99.4169 PRESSAVG: 3857800 14.8271 -52.9004 -39.9352 -52.9003 -5.15313 16.5339 -39.9352 16.5339 9.18469 GPRESSAVG: 3857800 13.7846 -52.2065 -40.43 -53.0187 -4.51229 16.8273 -39.82 17.4385 9.25971 TIMING: 3857800 CPU: 12190.7, 0.00317387/step Wall: 12190.7, 0.00317387/step, 1.007 hours remaining, 236.367188 MB of memory in use. ENERGY: 3857800 3899.6444 20514.7817 14437.6407 249.5521 -202999.0697 2687.1751 0.0000 0.0000 52143.3911 -109066.8846 299.6688 -161210.2758 -108686.6255 299.8851 41.8415 67.7884 762930.1733 6.2862 6.1774 PRESSURE: 3858000 -146.376 -9.78967 -46.5841 -9.78911 -360.522 -25.9447 -46.5848 -25.945 -495.876 GPRESSURE: 3858000 -76.2545 50.242 -102.969 -11.6826 -362.049 4.36412 10.8672 97.4817 -493.902 PRESSAVG: 3858000 27.6454 -8.34774 -8.9035 -8.34771 -45.568 15.7822 -8.90345 15.7821 -23.8103 GPRESSAVG: 3858000 28.6389 -10.4293 -9.0593 -7.51665 -46.9107 15.9455 -7.21064 14.1802 -23.9711 TIMING: 3858000 CPU: 12191.3, 0.00314862/step Wall: 12191.3, 0.00314862/step, 0.998813 hours remaining, 236.367188 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: 3858000 4011.7388 20375.9203 14521.3237 240.7381 -202955.9949 2611.5009 0.0000 0.0000 52208.5092 -108986.2640 300.0430 -161194.7732 -108618.1189 299.5918 -334.2579 -310.7352 764233.0993 -13.9110 -14.0809 PRESSURE: 3858200 -40.5666 -64.6704 -73.9883 -64.6712 -69.3817 -34.3904 -73.9879 -34.3904 75.7755 GPRESSURE: 3858200 -38.3559 -23.8451 -120.638 58.4623 -34.4612 -116.807 31.3594 -109.125 116.732 PRESSAVG: 3858200 41.3796 11.6338 30.0996 11.6339 -28.0179 38.2332 30.0997 38.2332 -10.2074 GPRESSAVG: 3858200 41.8743 15.5122 29.1132 10.1345 -27.3652 37.3503 29.8645 40.3881 -10.7092 TIMING: 3858200 CPU: 12191.9, 0.00316701/step Wall: 12191.9, 0.00316701/step, 1.00447 hours remaining, 236.367188 MB of memory in use. ENERGY: 3858200 3975.5022 20477.1032 14484.3074 254.1531 -203322.3231 2973.8567 0.0000 0.0000 52127.5602 -109029.8403 299.5778 -161157.4005 -108670.5105 299.6740 -11.3910 14.6383 762986.2164 1.0514 1.2666 PRESSURE: 3858400 197.145 -11.7521 250.901 -11.7516 62.1899 39.4524 250.902 39.4525 238.717 GPRESSURE: 3858400 276.867 -18.3018 288.066 -47.057 111.906 33.0996 182.626 -66.005 160.011 PRESSAVG: 3858400 31.8401 -70.9505 14.2418 -70.9505 8.32528 16.6555 14.2418 16.6554 -23.707 GPRESSAVG: 3858400 30.6361 -70.9691 15.4315 -72.3141 8.24567 15.2343 13.1357 15.7939 -22.2042 TIMING: 3858400 CPU: 12192.6, 0.00317748/step Wall: 12192.6, 0.00317748/step, 1.00762 hours remaining, 236.367188 MB of memory in use. ENERGY: 3858400 3931.2833 20549.9882 14454.2009 244.7077 -203019.1975 2744.1386 0.0000 0.0000 52012.2324 -109082.6465 298.9150 -161094.8788 -108712.2152 299.3204 166.0174 182.9279 761725.3308 5.4861 5.5592 PRESSURE: 3858600 -230.521 -103.109 175.234 -103.11 -304.69 -275.054 175.235 -275.055 -156.716 GPRESSURE: 3858600 -211.136 -149.833 245.092 -197.052 -220.019 -221.971 124.211 -108.528 -151.499 PRESSAVG: 3858600 -4.72264 -19.4959 46.8178 -19.4959 -7.02347 -13.8433 46.8179 -13.8433 8.97057 GPRESSAVG: 3858600 -3.49045 -22.8545 48.5753 -16.5649 -7.03462 -11.8829 48.1186 -13.0821 7.7759 TIMING: 3858600 CPU: 12193.2, 0.00317789/step Wall: 12193.2, 0.00317789/step, 1.00757 hours remaining, 236.367188 MB of memory in use. ENERGY: 3858600 3932.7444 20455.1678 14401.9139 242.1354 -202785.3845 2390.5433 0.0000 0.0000 52084.6337 -109278.2461 299.3311 -161362.8797 -108916.5241 299.4299 -230.6424 -194.2183 762114.1298 -0.9252 -0.9164 PRESSURE: 3858800 499.428 -187.778 186.795 -187.778 77.4661 3.66437 186.796 3.6629 21.7618 GPRESSURE: 3858800 447.868 -205.735 205.497 -222.889 172.11 49.856 158.416 2.28583 75.3238 PRESSAVG: 3858800 54.0541 -76.4458 31.1735 -76.4458 -25.2254 -4.2331 31.1735 -4.23297 -7.56 GPRESSAVG: 3858800 54.1515 -75.3965 29.0584 -79.9518 -25.1002 -4.90221 31.5551 -5.7973 -7.63933 TIMING: 3858800 CPU: 12193.8, 0.00318776/step Wall: 12193.8, 0.00318776/step, 1.01052 hours remaining, 236.367188 MB of memory in use. ENERGY: 3858800 3997.0778 20404.7312 14383.4660 227.0108 -203185.7122 2884.7196 0.0000 0.0000 51980.2676 -109308.4392 298.7313 -161288.7068 -108953.9445 299.1391 199.5519 231.7673 762961.1739 7.0896 7.1373 PRESSURE: 3859000 53.9175 -361.569 -14.9218 -361.569 119.582 -163.677 -14.9228 -163.676 148.189 GPRESSURE: 3859000 -22.9855 -196.642 -7.91369 -284.227 203.671 -174.07 -70.4335 -101.218 212.782 PRESSAVG: 3859000 24.35 -62.8445 11.3534 -62.8445 -13.8305 28.7817 11.3534 28.7817 -13.4333 GPRESSAVG: 3859000 22.9407 -62.411 13.8224 -59.7066 -13.982 30.3018 9.7754 30.1021 -11.9861 TIMING: 3859000 CPU: 12194.5, 0.00315855/step Wall: 12194.5, 0.00315855/step, 1.00109 hours remaining, 236.367188 MB of memory in use. ENERGY: 3859000 3980.7611 20433.2872 14368.7858 250.5329 -203558.0793 3166.1210 0.0000 0.0000 51982.3532 -109376.2381 298.7433 -161358.5913 -109024.4199 298.7251 107.2296 131.1560 762943.1349 -0.9713 -1.0091 PRESSURE: 3859200 -14.2778 28.6913 -52.1431 28.6904 -59.5213 326.395 -52.1423 326.394 -67.7477 GPRESSURE: 3859200 56.2805 -16.2296 89.6606 -41.1977 15.8312 261.276 -216.523 294.093 -118.132 PRESSAVG: 3859200 5.85403 -36.8697 8.45117 -36.8697 -13.4256 82.4825 8.45114 82.4825 -23.641 GPRESSAVG: 3859200 6.34402 -37.2936 7.63112 -39.2303 -14.3434 81.7311 9.38133 81.9081 -23.7092 TIMING: 3859200 CPU: 12195.1, 0.00315302/step Wall: 12195.1, 0.00315302/step, 0.999157 hours remaining, 236.570312 MB of memory in use. ENERGY: 3859200 4056.4735 20426.1909 14407.8216 239.4064 -202977.1496 2565.0118 0.0000 0.0000 51934.4797 -109347.7657 298.4682 -161282.2454 -108994.4670 298.8561 -47.1822 -15.3400 762146.8335 -10.4042 -10.5695 PRESSURE: 3859400 8.71883 4.7198 -48.8863 4.71933 106.891 -9.09311 -48.886 -9.0935 -96.8949 GPRESSURE: 3859400 -14.3106 6.60878 -62.8728 -53.3281 173.865 77.8806 66.6143 62.528 -55.9173 PRESSAVG: 3859400 -5.43754 -6.14391 -16.2603 -6.14397 -32.753 16.2743 -16.2604 16.2743 -14.1772 GPRESSAVG: 3859400 -6.3241 -6.33406 -19.3171 -7.01078 -30.7254 17.5307 -15.036 15.4552 -15.2772 TIMING: 3859400 CPU: 12195.7, 0.00313814/step Wall: 12195.7, 0.00313814/step, 0.994267 hours remaining, 236.570312 MB of memory in use. ENERGY: 3859400 4021.8734 20462.6343 14431.5704 268.9701 -203054.9280 2617.8025 0.0000 0.0000 51850.1444 -109401.9329 297.9835 -161252.0773 -109035.1096 299.0492 6.2384 34.5458 761983.8363 -17.4559 -17.4422 PRESSURE: 3859600 396.567 204.308 -48.1228 204.307 -218.734 172.374 -48.1224 172.375 -574.758 GPRESSURE: 3859600 432.039 176.922 -31.9786 112.794 -169.184 72.6399 87.7317 259.525 -577.87 PRESSAVG: 3859600 56.3951 17.308 21.7763 17.308 -50.1648 16.5324 21.7762 16.5324 11.3784 GPRESSAVG: 3859600 57.19 18.0391 23.7233 17.6893 -50.4659 16.8629 21.1598 18.6884 11.3447 TIMING: 3859600 CPU: 12196.4, 0.00314833/step Wall: 12196.4, 0.00314833/step, 0.997321 hours remaining, 236.570312 MB of memory in use. ENERGY: 3859600 4020.1124 20485.5680 14461.2161 238.1339 -203231.5011 2839.5729 0.0000 0.0000 51903.9944 -109282.9035 298.2930 -161186.8979 -108907.0473 298.8941 -132.3083 -105.0050 761751.8302 5.8696 6.0229 PRESSURE: 3859800 67.973 11.5438 164.43 11.5441 -88.0215 106.485 164.43 106.485 -368.978 GPRESSURE: 3859800 77.5218 -7.40922 111.253 -46.9732 -65.6707 83.9347 137.899 63.7262 -286.256 PRESSAVG: 3859800 3.14311 -21.6213 2.6813 -21.6213 33.2691 -49.9097 2.6813 -49.9096 -9.10333 GPRESSAVG: 3859800 3.24165 -21.7572 2.72916 -20.3818 32.8348 -50.3465 3.54578 -50.5995 -8.45251 TIMING: 3859800 CPU: 12197, 0.00316777/step Wall: 12197, 0.00316777/step, 1.0033 hours remaining, 236.570312 MB of memory in use. ENERGY: 3859800 4038.0259 20539.8695 14378.7135 227.1050 -203222.5758 2587.8279 0.0000 0.0000 52171.7465 -109279.2875 299.8317 -161451.0341 -108921.3281 299.5588 -129.6756 -91.4684 762330.6042 9.1030 9.2080 PRESSURE: 3860000 -72.1795 -77.8769 -11.0613 -77.8773 -330.216 -4.54504 -11.0604 -4.54588 306.29 GPRESSURE: 3860000 70.3886 -45.6544 21.3495 6.01926 -392.453 -4.02302 -84.6144 -45.8353 325.298 PRESSAVG: 3860000 -6.181 -8.65849 -19.8152 -8.6585 -0.23572 -58.2047 -19.8152 -58.2047 -0.276811 GPRESSAVG: 3860000 -6.11561 -8.46918 -19.1018 -9.17043 0.595458 -57.8555 -22.2895 -61.0018 -1.28 TIMING: 3860000 CPU: 12197.6, 0.00314275/step Wall: 12197.6, 0.00314275/step, 0.995205 hours remaining, 236.570312 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: 3860000 4036.4798 20552.7161 14425.5235 224.0033 -203139.4015 2529.6711 0.0000 0.0000 52248.6763 -109122.3314 300.2739 -161371.0077 -108754.7507 300.0482 -32.0349 1.0779 761027.5940 -2.2312 -2.2667 PRESSURE: 3860200 -290.734 79.6755 -175.315 79.6743 114.093 2.01545 -175.316 2.01565 -434.372 GPRESSURE: 3860200 -190.841 -38.194 -47.4557 23.6223 33.0231 27.5921 -42.3964 105.203 -369.254 PRESSAVG: 3860200 40.568 -24.1934 9.00963 -24.1934 -30.8822 0.0359747 9.00962 0.0360531 -20.2406 GPRESSAVG: 3860200 39.411 -25.5914 9.14344 -23.1121 -31.54 -2.16428 10.8494 1.4775 -18.7717 TIMING: 3860200 CPU: 12198.3, 0.00314425/step Wall: 12198.3, 0.00314425/step, 0.995503 hours remaining, 236.570312 MB of memory in use. ENERGY: 3860200 3992.2778 20620.0160 14489.1331 245.9255 -203137.3668 2405.2265 0.0000 0.0000 51988.1666 -109396.6213 298.7767 -161384.7879 -109035.9684 299.5570 -203.6710 -175.6906 761339.0404 -3.5183 -3.6336 LDB: ============= START OF LOAD BALANCING ============== 12210.8 LDB: ============== END OF LOAD BALANCING =============== 12210.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12210.8 LDB: ============= START OF LOAD BALANCING ============== 12211.1 LDB: Largest compute 7057 load 0.033349 is 17.1% of average load 0.195569 LDB: Average compute 0.004374 is 2.2% of average load 0.195569 LDB: TIME 12211.1 LOAD: AVG 0.195569 MAX 0.21471 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.934 MB LDB: TIME 12211.1 LOAD: AVG 0.195569 MAX 0.21471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.137 MB LDB: TIME 12211.1 LOAD: AVG 0.195569 MAX 0.21471 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.137 MB LDB: ============== END OF LOAD BALANCING =============== 12211.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12211.1 PRESSURE: 3860400 -137.468 -116.977 264.75 -116.977 -796.231 -252.554 264.75 -252.553 -5.08262 GPRESSURE: 3860400 -154.883 -151.863 141.21 -60.409 -663.063 -212.279 151.479 -167.411 -33.8924 PRESSAVG: 3860400 10.3753 -4.57615 -19.4871 -4.57605 4.15922 -28.8944 -19.487 -28.8944 -7.5003 GPRESSAVG: 3860400 11.0395 -4.05197 -19.3918 -5.58684 4.32463 -28.8032 -19.8775 -29.3557 -7.65555 TIMING: 3860400 CPU: 12198.9, 0.00320544/step Wall: 12198.9, 0.00320544/step, 1.0147 hours remaining, 236.675781 MB of memory in use. ENERGY: 3860400 4035.7046 20503.1440 14453.9632 243.3953 -202977.2633 2298.8185 0.0000 0.0000 52098.3565 -109343.8811 299.4100 -161442.2376 -108979.1232 299.4483 -312.9273 -283.9463 762332.7864 2.3447 2.5695 PRESSURE: 3860600 -325.049 -41.9882 -16.7171 -41.9886 -94.1741 -184.322 -16.7178 -184.321 310.71 GPRESSURE: 3860600 -266.226 -81.7255 52.3208 -19.1894 -6.07225 -159.67 -44.2154 -337.029 248.398 PRESSAVG: 3860600 -44.8718 -45.8474 -9.75604 -45.8474 50.7253 -16.7209 -9.75604 -16.7209 14.1967 GPRESSAVG: 3860600 -44.4291 -43.8565 -8.75889 -45.0628 49.3808 -17.5014 -10.1041 -16.3782 14.9484 TIMING: 3860600 CPU: 12199.5, 0.00318356/step Wall: 12199.5, 0.00318356/step, 1.0076 hours remaining, 237.003906 MB of memory in use. ENERGY: 3860600 4025.6592 20647.1525 14372.6161 261.5214 -203413.8365 2722.5732 0.0000 0.0000 52190.7835 -109193.5306 299.9412 -161384.3142 -108836.5576 299.8598 -36.1711 -7.9669 761407.2408 6.6834 6.6333 PRESSURE: 3860800 -11.21 1.2821 -126.55 1.28163 178.316 103.345 -126.55 103.346 446.025 GPRESSURE: 3860800 43.846 11.4649 -186.291 2.12846 240.875 79.3183 33.4739 117.31 399.673 PRESSAVG: 3860800 -15.3726 -17.1877 50.3784 -17.1877 29.0135 -7.04669 50.3784 -7.04671 2.45182 GPRESSAVG: 3860800 -15.8613 -16.6535 47.5451 -16.5184 29.6399 -4.79239 51.3611 -8.34229 1.83767 TIMING: 3860800 CPU: 12200.2, 0.00315488/step Wall: 12200.2, 0.00315488/step, 0.998345 hours remaining, 237.003906 MB of memory in use. ENERGY: 3860800 3946.8303 20558.1363 14490.9505 239.2472 -203574.0331 2824.1113 0.0000 0.0000 51984.2653 -109530.4922 298.7543 -161514.7575 -109158.2709 299.3509 204.3768 228.1311 761700.2431 5.3642 5.2054 PRESSURE: 3861000 170.791 130.499 223.022 130.499 150.816 111.962 223.023 111.962 217.542 GPRESSURE: 3861000 154.708 47.533 241.274 47.1382 242.279 197.341 171.233 28.3628 222.997 PRESSAVG: 3861000 1.36856 -23.7443 1.68029 -23.7443 37.98 -0.16003 1.68024 -0.160035 14.5711 GPRESSAVG: 3861000 3.67651 -24.9232 1.98946 -23.0924 37.2571 -0.248808 -0.110973 1.02863 13.4635 TIMING: 3861000 CPU: 12200.8, 0.00314541/step Wall: 12200.8, 0.00314541/step, 0.995174 hours remaining, 237.207031 MB of memory in use. ENERGY: 3861000 3916.7645 20543.7497 14454.6876 248.7458 -203280.7415 2537.8791 0.0000 0.0000 52085.0890 -109493.8258 299.3337 -161578.9147 -109136.6835 299.2435 179.7163 206.6612 760172.3031 17.9732 18.1324 PRESSURE: 3861200 -276.536 -49.3935 -28.7464 -49.3945 340.584 -54.1963 -28.7473 -54.1966 -23.6559 GPRESSURE: 3861200 -262.136 30.8885 -112.778 -63.0558 386.869 21.3398 31.6266 -77.7776 5.54457 PRESSAVG: 3861200 -83.3763 -32.0204 -26.7681 -32.0204 30.4744 2.6331 -26.7681 2.6331 5.69831 GPRESSAVG: 3861200 -84.3737 -32.1482 -27.1411 -33.2937 30.1366 4.45647 -25.4872 2.52027 6.6249 TIMING: 3861200 CPU: 12201.4, 0.00314967/step Wall: 12201.4, 0.00314967/step, 0.996345 hours remaining, 237.207031 MB of memory in use. ENERGY: 3861200 4092.2833 20382.4557 14422.1035 244.3664 -203524.0282 2780.2767 0.0000 0.0000 52073.0389 -109529.5036 299.2645 -161602.5425 -109169.8803 298.9104 13.4641 43.4260 762442.7088 -15.7345 -15.8707 PRESSURE: 3861400 15.2333 -166.546 -119.334 -166.545 -2.25738 35.9375 -119.334 35.938 -107.779 GPRESSURE: 3861400 -71.7869 -164.369 -95.5378 -58.6234 165.106 3.99622 -21.6347 -164.495 -81.3826 PRESSAVG: 3861400 -43.1963 -6.51058 -30.2903 -6.51053 35.6848 -60.4998 -30.2903 -60.4997 -17.5083 GPRESSAVG: 3861400 -45.4323 -5.00927 -29.2986 -9.06811 37.4241 -63.6002 -30.7508 -60.1988 -17.1284 TIMING: 3861400 CPU: 12202, 0.00316081/step Wall: 12202, 0.00316081/step, 0.999695 hours remaining, 237.207031 MB of memory in use. ENERGY: 3861400 4006.9790 20384.8834 14390.3592 235.3311 -203499.9147 2696.7733 0.0000 0.0000 51991.7773 -109793.8115 298.7975 -161785.5888 -109425.0056 298.8519 -31.6009 3.9789 762786.1487 -8.3399 -8.3789 PRESSURE: 3861600 -11.8278 -27.6356 117.852 -27.6357 15.3673 -58.5812 117.851 -58.5808 -172.896 GPRESSURE: 3861600 36.4168 -3.22766 108.176 31.8735 71.7327 -10.406 44.674 -66.8464 -189.889 PRESSAVG: 3861600 -1.91987 1.25767 -41.5973 1.25771 8.04694 -11.8942 -41.5973 -11.8941 -9.96081 GPRESSAVG: 3861600 -0.414859 1.79387 -42.1661 3.43506 6.58376 -10.6768 -41.7716 -10.3758 -10.5114 TIMING: 3861600 CPU: 12202.7, 0.00315816/step Wall: 12202.7, 0.00315816/step, 0.99868 hours remaining, 237.207031 MB of memory in use. ENERGY: 3861600 3991.6717 20691.5757 14411.8252 253.8930 -203428.7102 2614.3366 0.0000 0.0000 51808.1445 -109657.2634 297.7421 -161465.4079 -109298.3089 298.5685 -56.4522 -27.2464 761342.5403 -1.2779 -1.4475 PRESSURE: 3861800 -15.8892 -14.7539 -31.5065 -14.7538 117.702 302.046 -31.5069 302.047 3.65087 GPRESSURE: 3861800 51.0024 101.435 -202.477 6.78601 156.612 327.713 -33.61 269.549 -33.9718 PRESSAVG: 3861800 16.7517 7.65399 5.72994 7.65395 14.8026 8.37329 5.72989 8.37333 -6.89779 GPRESSAVG: 3861800 17.6209 8.72703 4.9024 6.34761 14.4915 8.93824 8.51662 5.76301 -7.51173 TIMING: 3861800 CPU: 12203.3, 0.00316674/step Wall: 12203.3, 0.00316674/step, 1.00122 hours remaining, 237.207031 MB of memory in use. ENERGY: 3861800 3963.5384 20674.6716 14456.5056 248.4089 -203524.6349 2702.0955 0.0000 0.0000 51995.2296 -109484.1853 298.8173 -161479.4149 -109126.8492 298.5905 35.1544 57.8810 762095.7311 8.2188 8.2002 PRESSURE: 3862000 420.115 -47.2944 194.329 -47.2943 -88.8281 -275.627 194.328 -275.626 140.779 GPRESSURE: 3862000 347.541 48.114 269.699 -43.1919 8.12839 -270.946 366.392 -157.342 196.679 PRESSAVG: 3862000 19.1847 -11.2993 36.0537 -11.2993 -1.85517 -17.4667 36.0537 -17.4667 -3.18151 GPRESSAVG: 3862000 17.2114 -13.3275 35.7305 -9.69904 -0.603472 -17.177 32.3546 -14.8245 -1.83325 TIMING: 3862000 CPU: 12203.9, 0.00314329/step Wall: 12203.9, 0.00314329/step, 0.99363 hours remaining, 237.207031 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: 3862000 3947.9914 20544.1034 14472.7525 236.6940 -203511.4190 2874.6473 0.0000 0.0000 52011.4690 -109423.7614 298.9106 -161435.2304 -109060.0817 298.7504 157.3553 184.1160 762020.4349 4.7160 4.9249 PRESSURE: 3862200 -24.0395 213.224 38.3231 213.223 -70.3245 16.4274 38.3233 16.4286 -114.034 GPRESSURE: 3862200 59.216 144.737 107.421 142.309 -87.6458 36.3522 -59.3616 -154.631 -66.6413 PRESSAVG: 3862200 85.7603 12.272 -8.46603 12.272 -41.2332 0.376255 -8.46598 0.376256 4.20149 GPRESSAVG: 3862200 88.174 10.8069 -6.53582 13.1598 -41.8541 0.291459 -7.05671 -1.15335 2.87409 TIMING: 3862200 CPU: 12204.6, 0.00315107/step Wall: 12204.6, 0.00315107/step, 0.995914 hours remaining, 237.207031 MB of memory in use. ENERGY: 3862200 3994.3838 20538.5603 14434.2306 233.1418 -203052.5967 2344.5560 0.0000 0.0000 51990.5139 -109517.2103 298.7902 -161507.7241 -109167.9619 298.7614 -69.4660 -31.6904 761169.5560 16.2429 16.3980 PRESSURE: 3862400 -270.446 29.5406 43.605 29.54 -175.687 71.6896 43.6055 71.6899 -461.126 GPRESSURE: 3862400 -230.368 67.9485 34.295 113.487 -210.343 96.2879 31.4977 181.559 -403.877 PRESSAVG: 3862400 28.7622 22.6998 -12.1841 22.6998 -26.01 -44.2691 -12.1841 -44.2692 14.8006 GPRESSAVG: 3862400 27.265 24.963 -12.643 22.0105 -26.8246 -44.0112 -10.6777 -45.0457 16.4978 TIMING: 3862400 CPU: 12205.2, 0.00315207/step Wall: 12205.2, 0.00315207/step, 0.996055 hours remaining, 237.207031 MB of memory in use. ENERGY: 3862400 4036.6476 20594.1257 14442.1558 238.5946 -203262.6471 2300.0542 0.0000 0.0000 51991.1705 -109659.8988 298.7940 -161651.0693 -109303.8566 299.2043 -302.4194 -281.5295 762170.2594 5.8509 5.6461 PRESSURE: 3862600 251.23 -65.7943 -229.214 -65.7933 -97.146 234.06 -229.216 234.061 -168.55 GPRESSURE: 3862600 245.365 -75.6061 -232.957 -163.887 -19.8755 186.85 -223.944 208.462 -157.457 PRESSAVG: 3862600 31.0275 -1.11658 18.7801 -1.11655 -42.9464 9.85022 18.7801 9.85031 23.2431 GPRESSAVG: 3862600 29.6943 -3.00656 18.7241 -0.0339018 -40.621 9.97067 18.1053 11.1405 22.3787 TIMING: 3862600 CPU: 12205.8, 0.00315294/step Wall: 12205.8, 0.00315294/step, 0.996153 hours remaining, 237.207031 MB of memory in use. ENERGY: 3862600 3960.7016 20706.3489 14352.3642 238.5982 -203484.5409 2764.1709 0.0000 0.0000 51883.7993 -109578.5578 298.1769 -161462.3571 -109211.1850 298.8301 -4.8218 22.6775 764259.9260 3.7747 3.8173 PRESSURE: 3862800 -23.334 -57.0229 159.588 -57.0229 -274.449 -34.8106 159.589 -34.8096 211.598 GPRESSURE: 3862800 46.0713 35.8014 144.77 -43.3169 -274.423 48.8222 84.2625 -101.923 225.665 PRESSAVG: 3862800 45.7908 19.798 -17.7515 19.798 -13.5603 16.8716 -17.7516 16.8716 0.978635 GPRESSAVG: 3862800 46.6645 20.9646 -16.4966 19.4673 -14.4483 16.9302 -21.603 15.3685 1.26004 TIMING: 3862800 CPU: 12206.5, 0.00315521/step Wall: 12206.5, 0.00315521/step, 0.996695 hours remaining, 237.207031 MB of memory in use. ENERGY: 3862800 4040.0059 20518.9210 14407.8992 247.8427 -203597.4591 2885.1615 0.0000 0.0000 52096.5723 -109401.0565 299.3997 -161497.6288 -109050.8618 299.2094 -28.7283 -0.8955 762597.8677 11.0697 11.1587 PRESSURE: 3863000 -30.2167 216.128 81.2964 216.128 155.494 59.2818 81.2964 59.2812 -200.877 GPRESSURE: 3863000 11.2392 241.567 46.6333 203.633 133.951 43.3925 9.84669 5.9373 -150.688 PRESSAVG: 3863000 64.8506 -15.6684 -35.7007 -15.6683 -38.8835 6.08583 -35.7007 6.08577 -2.17494 GPRESSAVG: 3863000 64.9511 -16.47 -37.5469 -14.6566 -39.394 4.42969 -35.1058 9.68122 -1.30479 TIMING: 3863000 CPU: 12207.1, 0.00316241/step Wall: 12207.1, 0.00316241/step, 0.998794 hours remaining, 237.191406 MB of memory in use. ENERGY: 3863000 3993.4625 20467.0615 14390.5313 232.8820 -203424.2888 2667.3205 0.0000 0.0000 52262.5056 -109410.5254 300.3533 -161673.0310 -109061.4088 299.7138 -25.2001 -1.8326 761303.0550 7.9307 8.0841 PRESSURE: 3863200 13.6768 65.3115 -10.4959 65.3109 -307.471 130.258 -10.4953 130.258 -22.3778 GPRESSURE: 3863200 -8.11807 141.762 -41.0631 63.4179 -194.213 51.4273 105.982 123.763 -17.5843 PRESSAVG: 3863200 57.9944 -13.7524 -9.72009 -13.7524 -39.5129 21.2104 -9.72008 21.2104 6.58356 GPRESSAVG: 3863200 57.4395 -12.8689 -9.30474 -14.8312 -38.4692 21.9888 -7.29235 19.4258 6.06632 TIMING: 3863200 CPU: 12207.7, 0.00315057/step Wall: 12207.7, 0.00315057/step, 0.994881 hours remaining, 237.191406 MB of memory in use. ENERGY: 3863200 3956.0517 20476.4848 14542.1627 235.1023 -203592.2332 2837.4616 0.0000 0.0000 51898.9550 -109646.0151 298.2640 -161544.9701 -109283.2141 299.0063 -105.3907 -73.3052 763947.4488 8.3550 8.3455 PRESSURE: 3863400 12.3643 -38.5984 97.3321 -38.598 92.4233 100.538 97.3313 100.538 -8.90146 GPRESSURE: 3863400 85.2433 51.1953 116.16 -20.3001 72.6003 117.922 35.9545 170.107 39.2497 PRESSAVG: 3863400 39.369 -10.1222 8.46301 -10.1222 -13.9793 28.6337 8.46297 28.6337 -17.5878 GPRESSAVG: 3863400 40.5716 -8.81337 9.0988 -10.5193 -14.848 29.6484 6.8617 27.9431 -18.1319 TIMING: 3863400 CPU: 12208.4, 0.00316441/step Wall: 12208.4, 0.00316442/step, 0.999076 hours remaining, 237.343750 MB of memory in use. ENERGY: 3863400 3952.7320 20342.0336 14405.3946 226.9538 -203589.5133 2874.2768 0.0000 0.0000 51959.9430 -109828.1794 298.6145 -161788.1224 -109456.3655 298.6383 31.9620 65.6977 762243.1972 2.6006 2.5305 PRESSURE: 3863600 25.8373 -19.9975 -21.2176 -19.9977 -404.732 172.506 -21.2182 172.506 -217.25 GPRESSURE: 3863600 66.1608 -35.0796 47.5152 -144.258 -370.242 181.128 10.5094 78.8907 -214.959 PRESSAVG: 3863600 60.7261 7.71212 45.5276 7.7121 -82.4246 -9.93683 45.5276 -9.93687 17.2651 GPRESSAVG: 3863600 60.4111 6.48032 46.6592 8.73013 -83.0453 -9.94789 46.1368 -9.50683 18.5364 TIMING: 3863600 CPU: 12209, 0.00315368/step Wall: 12209, 0.00315368/step, 0.995511 hours remaining, 237.343750 MB of memory in use. ENERGY: 3863600 3945.6076 20588.9385 14375.6333 244.1381 -202979.5341 2201.5598 0.0000 0.0000 51807.3117 -109816.3451 297.7373 -161623.6568 -109450.3157 298.3166 -198.7148 -173.0134 762261.5328 -1.4778 -1.3659 PRESSURE: 3863800 -50.849 -6.62799 48.6126 -6.62832 -140.615 -5.69704 48.611 -5.69651 110.682 GPRESSURE: 3863800 -23.4299 -2.76242 57.2833 -62.1342 -179.49 62.6854 -30.7168 -110.196 214.103 PRESSAVG: 3863800 48.6869 -10.3737 -7.61435 -10.3737 -40.9359 3.25048 -7.61435 3.25052 20.7847 GPRESSAVG: 3863800 49.4085 -11.9521 -9.36811 -10.7484 -40.3209 2.71607 -6.86585 2.59221 19.3254 TIMING: 3863800 CPU: 12209.6, 0.00316554/step Wall: 12209.6, 0.00316554/step, 0.999081 hours remaining, 237.343750 MB of memory in use. ENERGY: 3863800 4068.6407 20460.7445 14357.9539 259.1137 -203514.1016 2770.2592 0.0000 0.0000 51908.4623 -109688.9273 298.3186 -161597.3897 -109319.4556 298.1678 -26.9275 3.7278 763408.4491 9.5119 9.4710 PRESSURE: 3864000 -56.8061 43.7186 61.3108 43.7175 -367.464 61.6454 61.3107 61.646 305.261 GPRESSURE: 3864000 -66.6122 -111.913 4.91906 4.42478 -245.36 82.7611 -2.76051 20.8942 264.287 PRESSAVG: 3864000 45.0056 -34.8399 14.6996 -34.8399 -77.4085 -2.5953 14.6996 -2.59538 -13.8407 GPRESSAVG: 3864000 44.8872 -35.3743 14.3832 -34.2744 -78.9846 -1.49762 13.6527 -3.02965 -12.5419 TIMING: 3864000 CPU: 12210.3, 0.00316555/step Wall: 12210.3, 0.00316555/step, 0.998906 hours remaining, 237.343750 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: 3864000 3964.9357 20420.9924 14352.5124 230.3683 -203409.7787 2712.8948 0.0000 0.0000 51828.2243 -109899.8507 297.8575 -161728.0750 -109549.6533 298.2597 -39.6694 -15.8948 762446.5605 -15.4145 -15.5464 PRESSURE: 3864200 -8.92397 -104.362 -26.2004 -104.362 343.975 -147.751 -26.1998 -147.752 59.0307 GPRESSURE: 3864200 -34.9359 -75.3281 50.9868 47.2601 347.747 -17.1605 -46.2877 -186.684 173.336 PRESSAVG: 3864200 5.15138 -15.9071 -3.63043 -15.907 -32.0004 -19.6435 -3.6304 -19.6434 20.5625 GPRESSAVG: 3864200 4.624 -12.4972 -4.17553 -17.4981 -31.2723 -19.4823 -1.29844 -19.6479 20.4064 TIMING: 3864200 CPU: 12210.9, 0.00315491/step Wall: 12210.9, 0.00315491/step, 0.995373 hours remaining, 237.328125 MB of memory in use. ENERGY: 3864200 3927.5644 20528.9882 14383.1837 228.6074 -203244.0900 2694.2807 0.0000 0.0000 51823.0590 -109658.4065 297.8278 -161481.4655 -109307.3281 298.0452 131.3607 162.0490 761460.7362 -2.0955 -2.0806 LDB: ============= START OF LOAD BALANCING ============== 12223.4 LDB: ============== END OF LOAD BALANCING =============== 12223.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12223.4 LDB: ============= START OF LOAD BALANCING ============== 12223.7 LDB: Largest compute 7075 load 0.033162 is 17.0% of average load 0.195579 LDB: Average compute 0.004358 is 2.2% of average load 0.195579 LDB: TIME 12223.7 LOAD: AVG 0.195579 MAX 0.214853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.195 MB LDB: TIME 12223.7 LOAD: AVG 0.195579 MAX 0.214853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.398 MB LDB: TIME 12223.7 LOAD: AVG 0.195579 MAX 0.214853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.398 MB LDB: ============== END OF LOAD BALANCING =============== 12223.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12223.8 Info: useSync: 0 useProxySync: 0 PRESSURE: 3864400 -308.059 65.9145 -53.062 65.9142 15.925 235.959 -53.0621 235.959 -351.015 GPRESSURE: 3864400 -244.289 -24.1805 45.9905 112.322 3.70815 205.082 -132.24 248.318 -333.256 PRESSAVG: 3864400 52.1035 23.1506 -0.286924 23.1506 -3.36275 20.0023 -0.286983 20.0023 -7.09153 GPRESSAVG: 3864400 50.0105 21.4964 1.55298 23.7662 -1.35649 18.832 -1.23379 23.975 -7.21877 TIMING: 3864400 CPU: 12211.5, 0.00323147/step Wall: 12211.5, 0.00323147/step, 1.01935 hours remaining, 236.289062 MB of memory in use. ENERGY: 3864400 3929.1722 20602.1742 14465.6123 258.7386 -202902.3802 2381.8063 0.0000 0.0000 51834.4019 -109430.4747 297.8930 -161264.8766 -109083.3577 299.1951 -214.3830 -191.2789 762626.7396 13.8831 13.8118 PRESSURE: 3864600 -81.0621 -160.282 -324.045 -160.282 -146.942 -95.563 -324.045 -95.5636 -266.633 GPRESSURE: 3864600 -17.8134 -153.822 -318.211 -71.9267 -142.713 -165.294 -142.679 -177.449 -237.442 PRESSAVG: 3864600 12.722 -19.9368 -94.8297 -19.9368 -43.6933 45.8511 -94.8298 45.8511 -5.24568 GPRESSAVG: 3864600 14.6966 -20.5575 -95.5222 -21.0792 -45.4002 45.601 -96.3827 42.2631 -5.84831 TIMING: 3864600 CPU: 12212.2, 0.00315555/step Wall: 12212.2, 0.00315555/step, 0.995225 hours remaining, 236.492188 MB of memory in use. ENERGY: 3864600 3926.6152 20485.6070 14350.7885 250.3059 -203444.8205 2683.8011 0.0000 0.0000 52233.5882 -109514.1145 300.1871 -161747.7028 -109146.5818 299.0443 -164.8789 -132.6562 762157.1647 -12.0723 -12.1840 PRESSURE: 3864800 -14.3317 254.355 -7.7772 254.355 300.188 102.981 -7.7765 102.982 -294.168 GPRESSURE: 3864800 -0.941923 232.752 7.70358 239.631 308.88 -35.3473 -70.8241 129.146 -234.687 PRESSAVG: 3864800 -1.21296 30.5949 -54.094 30.5949 -7.45468 4.75613 -54.094 4.75617 30.032 GPRESSAVG: 3864800 -0.790023 30.9047 -52.9716 33.0247 -8.05271 5.73155 -50.7058 6.19003 30.2293 TIMING: 3864800 CPU: 12212.8, 0.00315956/step Wall: 12212.8, 0.00315956/step, 0.996315 hours remaining, 236.492188 MB of memory in use. ENERGY: 3864800 4026.7877 20542.3643 14398.8220 235.7868 -203879.7528 2914.7438 0.0000 0.0000 52196.3101 -109564.9380 299.9729 -161761.2482 -109204.1656 299.2624 -2.7703 24.4170 761322.4636 7.1214 7.1289 PRESSURE: 3865000 -225.037 68.6809 -158.206 68.6803 51.9534 -291.219 -158.207 -291.218 -299.001 GPRESSURE: 3865000 -200.968 16.9258 -180.74 7.45198 47.8995 -262.865 -206.083 -141.097 -223.912 PRESSAVG: 3865000 -18.3338 86.6167 -18.9869 86.6167 23.3223 -9.7471 -18.9869 -9.74713 -8.43028 GPRESSAVG: 3865000 -19.4022 87.1497 -20.1574 86.2333 24.188 -9.46775 -21.8806 -10.8321 -8.31469 TIMING: 3865000 CPU: 12213.4, 0.00313916/step Wall: 12213.4, 0.00313916/step, 0.989707 hours remaining, 236.492188 MB of memory in use. ENERGY: 3865000 3932.6804 20439.9037 14497.9300 246.4517 -203371.7822 2586.6223 0.0000 0.0000 52147.8724 -109520.3216 299.6945 -161668.1940 -109156.7565 298.8044 -157.3614 -125.6603 761731.3172 -1.1473 -1.1763 PRESSURE: 3865200 61.9464 134.161 23.2415 134.161 289.874 27.0543 23.2416 27.054 255.809 GPRESSURE: 3865200 136.043 86.2145 35.4114 95.624 197.245 90.5284 -22.8009 36.0597 358.159 PRESSAVG: 3865200 15.5124 -0.284092 -29.8964 -0.284059 -43.7992 7.00763 -29.8965 7.00766 3.73372 GPRESSAVG: 3865200 16.1173 -1.04929 -30.0194 1.45924 -44.2422 7.39428 -28.5528 8.42618 4.30254 TIMING: 3865200 CPU: 12214.1, 0.00314864/step Wall: 12214.1, 0.00314864/step, 0.992523 hours remaining, 236.492188 MB of memory in use. ENERGY: 3865200 4023.4575 20514.5619 14416.4623 237.6865 -203495.0243 2880.2567 0.0000 0.0000 52126.3050 -109296.2943 299.5706 -161422.5993 -108938.5941 299.0162 202.5431 230.4823 762216.1656 -8.1844 -7.9408 PRESSURE: 3865400 287.326 260.296 -135.255 260.297 344.238 -137.597 -135.255 -137.598 -27.2287 GPRESSURE: 3865400 289.527 173.458 -203.153 329.885 430.443 -182.517 -56.2849 -157.784 -26.2974 PRESSAVG: 3865400 -47.1719 20.7771 -33.4429 20.7772 37.0898 14.7753 -33.4429 14.7753 5.30617 GPRESSAVG: 3865400 -48.473 20.8407 -34.5511 18.3264 37.3198 11.4583 -32.8607 13.899 6.11315 TIMING: 3865400 CPU: 12214.7, 0.00317469/step Wall: 12214.7, 0.00317469/step, 1.00056 hours remaining, 236.492188 MB of memory in use. ENERGY: 3865400 4021.1794 20411.5124 14438.5834 248.2753 -203286.6405 2855.1769 0.0000 0.0000 52036.0619 -109275.8511 299.0520 -161311.9130 -108905.7906 299.3926 201.4451 231.2242 763931.0148 -1.5920 -1.6800 PRESSURE: 3865600 44.7304 77.7922 -204.405 77.7932 -187.431 -139.04 -204.405 -139.04 -93.7444 GPRESSURE: 3865600 69.1553 -50.0215 -120.993 95.1629 -194.798 -87.3792 -204.399 -100.603 -10.5405 PRESSAVG: 3865600 3.93702 20.846 -36.1481 20.846 3.43537 29.5358 -36.1481 29.5358 -24.6732 GPRESSAVG: 3865600 3.81746 21.2565 -33.5604 21.6656 4.16391 31.7119 -37.2082 26.289 -25.2952 TIMING: 3865600 CPU: 12215.3, 0.00316588/step Wall: 12215.3, 0.00316588/step, 0.997605 hours remaining, 236.492188 MB of memory in use. ENERGY: 3865600 3951.9456 20454.6524 14479.2753 238.9556 -203304.4169 2681.5326 0.0000 0.0000 52306.2519 -109191.8035 300.6047 -161498.0553 -108834.0991 299.2778 -78.8151 -45.3942 762503.3646 -5.7669 -5.7713 PRESSURE: 3865800 -98.1483 -127.65 -55.5277 -127.65 102.795 68.4576 -55.5272 68.4588 87.703 GPRESSURE: 3865800 -18.7457 -106.254 33.3069 -231.433 99.7655 129.735 -109.679 21.093 87.4781 PRESSAVG: 3865800 -33.1505 -2.4091 -27.4874 -2.40906 5.21989 -29.6235 -27.4875 -29.6235 -5.55827 GPRESSAVG: 3865800 -32.7916 -3.71072 -27.9255 -3.63739 5.42308 -30.8154 -25.9759 -24.7684 -6.67085 TIMING: 3865800 CPU: 12216, 0.00316343/step Wall: 12216, 0.00316343/step, 0.996658 hours remaining, 236.492188 MB of memory in use. ENERGY: 3865800 3977.4216 20619.4655 14508.4663 242.8299 -203519.7851 2671.4125 0.0000 0.0000 52251.6176 -109248.5717 300.2908 -161500.1894 -108883.4847 299.7200 30.7831 56.1660 762418.6097 -11.1630 -11.3464 PRESSURE: 3866000 -362.009 0.296875 93.6666 0.29673 -309.76 -93.1328 93.6672 -93.1329 -274.735 GPRESSURE: 3866000 -383.004 97.0568 130.067 102.459 -243.437 16.8166 -64.5343 -259.634 -258.115 PRESSAVG: 3866000 7.20004 -0.879081 -33.9355 -0.879091 17.0948 18.0405 -33.9355 18.0404 4.62267 GPRESSAVG: 3866000 8.16615 -0.529503 -34.6182 -0.360572 15.6851 19.8516 -35.562 16.3456 5.34344 TIMING: 3866000 CPU: 12216.6, 0.00316805/step Wall: 12216.6, 0.00316805/step, 0.997935 hours remaining, 236.492188 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: 3866000 4056.0252 20645.2612 14466.9224 251.0774 -203551.4687 2707.2715 0.0000 0.0000 52074.3823 -109350.5287 299.2722 -161424.9110 -108989.7833 299.4383 -315.5010 -294.8518 762714.6471 9.6392 9.7316 PRESSURE: 3866200 81.3179 -30.9449 59.2882 -30.9434 -60.7477 89.6091 59.2883 89.6097 -10.0937 GPRESSURE: 3866200 78.2813 -145.278 162.204 -65.1451 30.8895 160.294 -19.6297 57.8739 -18.6821 PRESSAVG: 3866200 3.01195 -28.68 -51.7714 -28.6801 13.5642 -2.83918 -51.7714 -2.83922 46.2123 GPRESSAVG: 3866200 3.06198 -28.9655 -51.5308 -28.6179 13.6588 -3.79191 -52.8428 -4.44493 46.2405 TIMING: 3866200 CPU: 12217.2, 0.00317962/step Wall: 12217.2, 0.00317962/step, 1.0014 hours remaining, 236.492188 MB of memory in use. ENERGY: 3866200 4005.9237 20625.6794 14495.9312 234.2320 -203716.8690 2728.2914 0.0000 0.0000 52165.8180 -109460.9933 299.7977 -161626.8113 -109091.4559 299.3312 3.4921 30.1629 762177.8289 20.9295 20.9871 PRESSURE: 3866400 -207.04 -37.4657 319.205 -37.4661 -359.798 -121.048 319.204 -121.05 -96.5285 GPRESSURE: 3866400 -136.318 -104.414 290.312 -41.4383 -228.36 -103.713 203.159 -58.2237 -193.26 PRESSAVG: 3866400 -25.8764 -19.0254 -21.1131 -19.0254 19.5511 -40.0445 -21.1132 -40.0445 -18.3338 GPRESSAVG: 3866400 -27.4555 -19.3658 -21.2245 -18.447 20.0689 -39.1937 -20.0045 -39.5748 -17.164 TIMING: 3866400 CPU: 12217.9, 0.00316469/step Wall: 12217.9, 0.00316469/step, 0.996526 hours remaining, 236.492188 MB of memory in use. ENERGY: 3866400 4017.6564 20658.1637 14454.3760 253.9102 -203676.9076 2780.4197 0.0000 0.0000 52043.9220 -109468.4595 299.0971 -161512.3815 -109109.5978 299.2475 -221.1222 -185.9793 762909.9273 -8.2197 -8.1835 PRESSURE: 3866600 -414.272 -107.856 -60.5361 -107.855 148.076 -247.835 -60.5367 -247.835 -37.2138 GPRESSURE: 3866600 -405.391 -151.014 -30.8198 -122.48 179.191 -123.436 -191.118 -275.746 8.38744 PRESSAVG: 3866600 12.7842 0.00795314 4.94932 0.00801247 1.1712 37.4746 4.9493 37.4746 14.8734 GPRESSAVG: 3866600 13.4596 -0.846125 5.60766 -0.55301 1.08179 37.7017 2.24919 38.0695 14.1064 TIMING: 3866600 CPU: 12218.5, 0.00315233/step Wall: 12218.5, 0.00315233/step, 0.992458 hours remaining, 236.492188 MB of memory in use. ENERGY: 3866600 3942.0119 20630.9097 14469.7502 240.0031 -203399.0951 2577.2340 0.0000 0.0000 52075.4259 -109463.7603 299.2782 -161539.1862 -109103.0056 299.5584 -101.1367 -72.6040 761005.0657 9.6096 9.5493 PRESSURE: 3866800 141.395 -114.28 -68.6669 -114.28 11.7516 -260.943 -68.6669 -260.943 338.159 GPRESSURE: 3866800 126.137 -18.6928 -109.992 -141.425 109.37 -245.533 3.92193 -164.541 344.677 PRESSAVG: 3866800 -34.587 -40.9693 0.409166 -40.9694 58.0894 -12.049 0.409153 -12.049 -20.3718 GPRESSAVG: 3866800 -34.2256 -40.0753 0.146551 -39.7234 58.104 -13.372 2.24596 -13.5213 -20.7491 TIMING: 3866800 CPU: 12219.1, 0.003176/step Wall: 12219.1, 0.003176/step, 0.999733 hours remaining, 236.492188 MB of memory in use. ENERGY: 3866800 4030.2821 20391.0852 14521.7787 246.8796 -203700.6019 2978.8831 0.0000 0.0000 51880.5378 -109651.1554 298.1582 -161531.6932 -109284.0500 298.8928 163.7685 193.3949 761486.3456 1.0435 1.0431 PRESSURE: 3867000 -169.977 -124.567 99.7839 -124.568 -30.4701 -116.23 99.7836 -116.229 -105.713 GPRESSURE: 3867000 -128.863 -124.696 88.5535 -108.383 0.866557 -144.838 129.916 2.37857 -98.7163 PRESSAVG: 3867000 13.0237 -61.3995 -25.4551 -61.3995 -37.8581 -36.4084 -25.4551 -36.4083 29.4773 GPRESSAVG: 3867000 13.0009 -62.4736 -25.4845 -62.2763 -37.952 -36.4974 -24.8456 -33.2209 29.8562 TIMING: 3867000 CPU: 12219.8, 0.00316589/step Wall: 12219.8, 0.00316589/step, 0.996375 hours remaining, 236.492188 MB of memory in use. ENERGY: 3867000 3969.3815 20523.4717 14464.7552 245.6624 -203247.5788 2658.0327 0.0000 0.0000 51889.5465 -109496.7289 298.2099 -161386.2754 -109135.3400 299.0619 -102.0533 -75.5708 761626.8814 1.5476 1.6351 PRESSURE: 3867200 129.789 56.3537 80.9913 56.3519 307.589 49.2057 80.9922 49.205 -102.338 GPRESSURE: 3867200 201.54 43.3365 -20.7996 9.26783 343.722 175.851 24.6296 -94.1881 -141.292 PRESSAVG: 3867200 71.8898 -3.55497 -17.6812 -3.55498 -31.4678 10.6635 -17.6812 10.6635 -21.7318 GPRESSAVG: 3867200 71.7414 -2.46261 -17.9171 -3.1138 -31.0898 10.5463 -18.3821 11.3984 -22.0637 TIMING: 3867200 CPU: 12220.4, 0.00314613/step Wall: 12220.4, 0.00314613/step, 0.989982 hours remaining, 236.492188 MB of memory in use. ENERGY: 3867200 3950.9528 20793.8263 14491.3303 251.1788 -203480.1041 2699.6494 0.0000 0.0000 51844.1129 -109449.0534 297.9488 -161293.1664 -109090.6658 298.8550 111.6801 134.6564 759764.6496 6.2301 6.1960 PRESSURE: 3867400 -93.711 -130.977 46.1315 -130.977 392.569 122.91 46.1321 122.91 -156.855 GPRESSURE: 3867400 -16.1502 -171.665 51.2495 25.2295 328.999 186.999 97.4267 52.0444 -90.1773 PRESSAVG: 3867400 -3.67137 -7.45675 -7.13912 -7.45676 24.3169 54.5739 -7.13914 54.5739 5.70032 GPRESSAVG: 3867400 -3.24401 -9.28991 -8.80163 -5.39528 24.2006 54.1516 -7.08125 52.4889 5.96313 TIMING: 3867400 CPU: 12221, 0.00315602/step Wall: 12221, 0.00315602/step, 0.992919 hours remaining, 236.492188 MB of memory in use. ENERGY: 3867400 3995.6703 20643.4593 14459.4801 235.7867 -203379.5612 2549.7038 0.0000 0.0000 52104.0152 -109391.4458 299.4425 -161495.4611 -109026.3344 299.1576 47.3343 74.2238 761404.6540 8.7819 8.9733 PRESSURE: 3867600 -185.658 49.2315 58.2786 49.2317 -206.006 -133.901 58.2783 -133.902 -92.3672 GPRESSURE: 3867600 -175.621 54.5298 89.5323 115.59 -154.618 -131.931 89.1076 -200.472 -59.0425 PRESSAVG: 3867600 -11.7056 -16.4201 -51.5961 -16.42 28.5753 14.293 -51.5961 14.293 18.3665 GPRESSAVG: 3867600 -12.6537 -14.58 -48.901 -17.9578 28.9445 13.7323 -52.4987 14.7409 18.7198 TIMING: 3867600 CPU: 12221.7, 0.00316286/step Wall: 12221.7, 0.00316286/step, 0.994895 hours remaining, 236.492188 MB of memory in use. ENERGY: 3867600 3982.6940 20586.8517 14443.5897 243.4074 -203016.6073 2558.1625 0.0000 0.0000 51948.0344 -109253.8675 298.5461 -161201.9020 -108890.3752 299.1216 -161.3439 -129.7603 763890.3206 11.7454 11.6702 PRESSURE: 3867800 -232.693 -182.137 37.3491 -182.137 -120.958 -298.56 37.348 -298.561 -38.998 GPRESSURE: 3867800 -125.997 -74.4906 16.9482 -22.096 -109.543 -216.37 46.5484 -265.2 -64.9328 PRESSAVG: 3867800 -32.9571 22.7381 -40.1242 22.7382 2.56897 -4.94043 -40.1243 -4.94048 -7.88857 GPRESSAVG: 3867800 -31.9147 22.1296 -40.9793 24.0027 1.11448 -4.3054 -38.2614 -4.63544 -7.86651 TIMING: 3867800 CPU: 12222.3, 0.00316692/step Wall: 12222.3, 0.00316692/step, 0.995997 hours remaining, 236.492188 MB of memory in use. ENERGY: 3867800 3997.6627 20625.7403 14566.3291 267.7028 -203089.2069 2712.0113 0.0000 0.0000 51899.9843 -109019.7764 298.2699 -160919.7607 -108656.1235 299.1252 -130.8829 -100.1576 763536.8604 -12.7589 -12.8889 PRESSURE: 3868000 -388.218 7.89396 153.201 7.89311 -182.984 107.184 153.202 107.182 116.643 GPRESSURE: 3868000 -295.519 44.5971 165.219 28.5702 -180.118 66.8767 142.733 70.2882 115.019 PRESSAVG: 3868000 14.6422 16.9679 -29.3234 16.9679 -47.8988 -39.3041 -29.3234 -39.304 24.6359 GPRESSAVG: 3868000 15.306 17.2999 -28.4099 14.6363 -48.2778 -39.6974 -30.687 -38.761 24.0445 TIMING: 3868000 CPU: 12222.9, 0.00315947/step Wall: 12222.9, 0.00315947/step, 0.993479 hours remaining, 236.492188 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: 3868000 3979.4391 20699.4110 14446.3106 229.4518 -203537.2689 2823.4011 0.0000 0.0000 52289.2863 -109069.9689 300.5072 -161359.2552 -108713.1482 300.0236 -151.5200 -120.2062 763585.7198 -2.8736 -2.9758 PRESSURE: 3868200 -60.8118 -119.056 86.2077 -119.056 -17.4981 55.6481 86.2081 55.6482 203.667 GPRESSURE: 3868200 58.1837 -50.9103 178.448 -37.78 -83.8422 41.8603 0.884831 60.0685 226.073 PRESSAVG: 3868200 32.1014 -30.5288 9.39747 -30.5288 -18.8192 -14.7945 9.39742 -14.7944 -2.2441 GPRESSAVG: 3868200 31.2875 -29.677 7.89589 -30.8743 -17.9741 -14.8823 9.15922 -14.0134 -1.92843 TIMING: 3868200 CPU: 12223.6, 0.0031681/step Wall: 12223.6, 0.0031681/step, 0.996015 hours remaining, 236.492188 MB of memory in use. ENERGY: 3868200 3956.2155 20551.4559 14485.1914 226.1327 -203323.7706 2761.3618 0.0000 0.0000 52214.9550 -109128.4582 300.0801 -161343.4132 -108764.8041 300.1705 41.7858 66.8049 764855.3604 3.6794 3.7950 LDB: ============= START OF LOAD BALANCING ============== 12236.1 LDB: ============== END OF LOAD BALANCING =============== 12236.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12236.1 LDB: ============= START OF LOAD BALANCING ============== 12236.4 LDB: Largest compute 7026 load 0.035055 is 17.9% of average load 0.195602 LDB: Average compute 0.004361 is 2.2% of average load 0.195602 LDB: TIME 12236.4 LOAD: AVG 0.195602 MAX 0.212528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.578 MB LDB: TIME 12236.4 LOAD: AVG 0.195602 MAX 0.212528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: TIME 12236.4 LOAD: AVG 0.195602 MAX 0.212528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: ============== END OF LOAD BALANCING =============== 12236.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12236.4 PRESSURE: 3868400 -112.094 56.9815 -61.4042 56.9818 -133.403 61.9819 -61.4039 61.9821 531.348 GPRESSURE: 3868400 -68.3739 59.8183 -30.9353 -86.9078 -79.4013 -10.273 -29.6206 44.0727 501.443 PRESSAVG: 3868400 -9.76373 -53.8339 34.7994 -53.8339 -5.56134 -30.9391 34.7994 -30.9392 -1.14476 GPRESSAVG: 3868400 -9.69281 -53.1954 35.8214 -54.3842 -5.95767 -31.1302 36.4204 -31.4598 -1.00021 TIMING: 3868400 CPU: 12224.2, 0.00323399/step Wall: 12224.2, 0.00323399/step, 1.01655 hours remaining, 234.734375 MB of memory in use. ENERGY: 3868400 3991.3272 20397.5718 14409.9260 240.2614 -203409.1277 2868.2181 0.0000 0.0000 52255.8730 -109245.9502 300.3152 -161501.8232 -108878.1759 299.7869 95.2837 117.8892 763785.5010 -5.4899 -5.5502 PRESSURE: 3868600 126.98 148.6 -171.121 148.599 -65.5853 1.93193 -171.12 1.9328 283.112 GPRESSURE: 3868600 199.634 221.689 -132.373 87.9591 39.6187 55.3859 -129.658 9.31272 191.479 PRESSAVG: 3868600 83.9063 7.90482 55.7851 7.90487 -53.0361 -9.12552 55.7852 -9.12548 20.608 GPRESSAVG: 3868600 83.9032 4.57894 56.0091 8.03671 -52.1981 -8.08194 54.9372 -12.3303 20.2104 TIMING: 3868600 CPU: 12224.8, 0.00316705/step Wall: 12224.8, 0.00316705/step, 0.995334 hours remaining, 234.734375 MB of memory in use. ENERGY: 3868600 3881.0871 20593.8835 14393.0153 229.6552 -203061.3558 2622.1598 0.0000 0.0000 52038.2426 -109303.3123 299.0645 -161341.5548 -108936.4773 299.6040 114.8356 143.5772 764200.6403 17.1594 17.3052 PRESSURE: 3868800 -22.8626 247.982 -174.639 247.983 36.6369 -175.935 -174.64 -175.935 78.8016 GPRESSURE: 3868800 -6.10569 144.608 -189.562 198.87 145.817 -192.585 -84.2724 -166.885 46.9787 PRESSAVG: 3868800 -3.89981 -23.5349 -19.1667 -23.5349 -22.5231 -49.1234 -19.1666 -49.1234 9.11573 GPRESSAVG: 3868800 -5.08919 -22.1387 -18.4751 -22.8365 -23.091 -50.1267 -19.0122 -47.697 10.5293 TIMING: 3868800 CPU: 12225.5, 0.00316474/step Wall: 12225.5, 0.00316474/step, 0.994433 hours remaining, 234.734375 MB of memory in use. ENERGY: 3868800 4004.5810 20552.2709 14470.8073 224.6811 -203569.9807 2807.4605 0.0000 0.0000 52129.3842 -109380.7957 299.5883 -161510.1800 -109026.3838 299.1032 30.8586 62.2299 760671.4264 -5.7691 -5.8836 PRESSURE: 3869000 38.4596 -5.69992 19.1154 -5.69964 -8.92206 -49.8025 19.1144 -49.8023 -497.063 GPRESSURE: 3869000 77.3051 111.769 54.7076 -61.5648 -37.8705 -85.0615 -81.426 -113.218 -444.142 PRESSAVG: 3869000 -0.345642 -15.6118 -18.8969 -15.6118 44.7104 -14.1195 -18.8969 -14.1194 28.4322 GPRESSAVG: 3869000 0.697711 -14.7846 -18.8912 -16.5492 44.003 -14.4012 -20.2765 -15.6284 27.8998 TIMING: 3869000 CPU: 12226.1, 0.00317274/step Wall: 12226.1, 0.00317274/step, 0.996769 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869000 4052.2630 20639.9477 14488.0821 248.7471 -203306.5270 2652.0016 0.0000 0.0000 52153.6149 -109071.8707 299.7275 -161225.4856 -108714.3486 299.9748 -155.8418 -134.9026 762572.7808 24.2657 24.2002 PRESSURE: 3869200 -17.3088 8.53115 -88.3666 8.5317 141.837 286.536 -88.3675 286.535 161.561 GPRESSURE: 3869200 99.7734 112.044 -48.3632 24.5504 159.474 187.29 -53.199 397.25 123.059 PRESSAVG: 3869200 -30.2841 21.1173 6.38756 21.1173 40.443 -2.79804 6.38763 -2.79796 7.09704 GPRESSAVG: 3869200 -30.8182 21.1533 5.65702 22.0246 41.6497 -1.92634 6.38018 -1.03853 5.88874 TIMING: 3869200 CPU: 12226.7, 0.00315091/step Wall: 12226.7, 0.00315091/step, 0.989737 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869200 4040.8383 20589.0861 14458.3709 246.8549 -203610.2005 2877.5438 0.0000 0.0000 52454.0300 -108943.4766 301.4540 -161397.5066 -108573.6512 300.0299 95.3630 127.4356 761536.6562 5.7520 5.5734 PRESSURE: 3869400 -202.872 63.7497 -124.781 63.7498 -227.807 -160.956 -124.782 -160.957 17.1183 GPRESSURE: 3869400 -165.431 51.3342 -245.998 115.342 -244.879 -135.013 -63.6863 -64.0641 69.6648 PRESSAVG: 3869400 17.5749 -11.5395 -75.8081 -11.5395 8.59159 -13.7365 -75.8081 -13.7365 12.7359 GPRESSAVG: 3869400 18.4204 -12.9892 -74.9641 -9.07536 6.90956 -11.3783 -75.8891 -16.1206 13.6527 TIMING: 3869400 CPU: 12227.4, 0.00315027/step Wall: 12227.4, 0.00315028/step, 0.989361 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869400 4060.0021 20630.0934 14502.4173 271.8992 -202968.2219 2435.3988 0.0000 0.0000 52094.4497 -108973.9613 299.3875 -161068.4111 -108607.0679 300.4111 -137.8536 -113.5483 761385.2518 12.9675 12.9942 PRESSURE: 3869600 197.647 3.17821 -140.111 3.17801 89.2183 170.262 -140.11 170.262 -110.26 GPRESSURE: 3869600 209.324 36.567 -62.8125 91.8069 168.241 167.174 -76.1183 163.286 -119.36 PRESSAVG: 3869600 26.4537 -2.806 -43.2344 -2.80602 -26.255 -11.2554 -43.2344 -11.2555 27.2589 GPRESSAVG: 3869600 25.4647 -2.05837 -43.6562 -4.86458 -25.2617 -14.2148 -40.9019 -9.43335 26.6034 TIMING: 3869600 CPU: 12228, 0.00315832/step Wall: 12228, 0.00315832/step, 0.991712 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869600 4032.3978 20485.5127 14492.7460 254.1737 -203271.0967 2501.2640 0.0000 0.0000 52436.7743 -109068.2282 301.3549 -161505.0025 -108691.5664 300.2206 58.8685 86.0683 761287.6659 9.1526 8.9355 PRESSURE: 3869800 -41.312 -84.4638 -42.4084 -84.4638 -182.921 76.7227 -42.4091 76.7234 212.115 GPRESSURE: 3869800 62.7862 -95.8199 -34.3845 10.4899 -124.698 94.7595 -121.827 60.3881 157.67 PRESSAVG: 3869800 -39.0205 -38.0216 -23.6931 -38.0216 3.29878 13.4391 -23.6931 13.4392 -7.10658 GPRESSAVG: 3869800 -39.0739 -36.8062 -23.2772 -36.9416 3.0508 12.4728 -26.4235 14.4442 -6.49855 TIMING: 3869800 CPU: 12228.6, 0.00317212/step Wall: 12228.6, 0.00317212/step, 0.995869 hours remaining, 234.734375 MB of memory in use. ENERGY: 3869800 4085.0733 20724.2433 14467.1818 240.4983 -203377.5165 2766.4833 0.0000 0.0000 52191.8389 -108902.1976 299.9472 -161094.0365 -108540.8402 300.1111 -4.0391 31.9192 761026.2531 -14.2761 -14.1739 PRESSURE: 3870000 267.132 70.8262 -105.791 70.8261 -22.1131 -76.2208 -105.79 -76.221 581.624 GPRESSURE: 3870000 290.528 97.0432 -86.812 27.729 21.4204 -31.5889 81.9134 91.1818 575.04 PRESSAVG: 3870000 42.1814 -38.1042 13.3601 -38.1043 5.82331 13.2489 13.36 13.2489 -13.3915 GPRESSAVG: 3870000 42.9712 -39.9829 13.562 -38.0493 5.6945 15.2744 13.1096 13.7197 -14.5278 TIMING: 3870000 CPU: 12229.3, 0.00316176/step Wall: 12229.3, 0.00316176/step, 0.992442 hours remaining, 234.734375 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: 3870000 4039.2598 20689.5010 14461.5501 235.4509 -203600.4285 3007.0005 0.0000 0.0000 52184.1496 -108983.5165 299.9030 -161167.6662 -108628.7799 300.0960 275.5478 295.6628 761424.8161 11.5377 11.3793 PRESSURE: 3870200 56.5338 105.944 -195.858 105.944 316.661 -342.985 -195.859 -342.986 153.038 GPRESSURE: 3870200 86.7164 96.5818 -143.007 73.6938 376.285 -246.444 -211.641 -382.961 168.184 PRESSAVG: 3870200 3.33845 -8.23895 16.4959 -8.23896 -33.0933 -29.1073 16.4959 -29.1073 1.60899 GPRESSAVG: 3870200 1.34542 -8.26989 15.5181 -7.60536 -33.0374 -28.747 17.4232 -30.4601 3.1805 TIMING: 3870200 CPU: 12229.9, 0.00313268/step Wall: 12229.9, 0.00313268/step, 0.983139 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870200 3944.7810 20731.2231 14358.1657 229.8698 -202817.3897 2582.5048 0.0000 0.0000 51999.8561 -108970.9891 298.8439 -160970.8453 -108601.4537 299.6575 175.4112 210.3951 760065.1214 -9.3820 -9.5038 PRESSURE: 3870400 -241.695 45.868 -104.345 45.8678 250.167 -64.2592 -104.346 -64.2591 -27.6414 GPRESSURE: 3870400 -124.966 31.0196 -72.2045 -94.2538 269.959 -171.834 -195.317 160.621 -78.2685 PRESSAVG: 3870400 -88.0989 18.7612 3.77669 18.7611 51.8637 -27.2354 3.77681 -27.2353 21.0314 GPRESSAVG: 3870400 -87.305 19.9989 2.23116 15.5676 51.8764 -29.4407 3.76834 -24.8381 20.3942 TIMING: 3870400 CPU: 12230.5, 0.00315078/step Wall: 12230.5, 0.00315078/step, 0.988645 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870400 3946.7344 20549.4700 14412.6709 246.7993 -203269.0646 2760.6076 0.0000 0.0000 52153.8348 -109198.9475 299.7288 -161352.7824 -108845.1778 300.1305 -6.3898 22.2415 761108.1999 -5.0679 -5.0115 PRESSURE: 3870600 47.5057 -74.2492 73.2859 -74.2497 -29.0979 93.8147 73.2854 93.8154 -454.338 GPRESSURE: 3870600 -34.5875 -104.553 49.744 24.0747 125.496 132.498 108.556 -83.5566 -441.958 PRESSAVG: 3870600 -14.4842 10.8046 -39.3964 10.8047 13.5349 52.0345 -39.3964 52.0345 -17.7263 GPRESSAVG: 3870600 -16.2711 11.1952 -38.3128 13.4621 15.6307 54.1746 -38.733 49.4885 -17.5135 TIMING: 3870600 CPU: 12231.1, 0.00314434/step Wall: 12231.1, 0.00314434/step, 0.98645 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870600 4033.0332 20553.9185 14490.0452 240.3067 -203135.8006 2479.1953 0.0000 0.0000 52241.5380 -109097.7637 300.2328 -161339.3016 -108728.9051 299.6962 -145.3100 -117.0165 761075.0110 -6.2252 -6.0513 PRESSURE: 3870800 248.807 -3.60979 -205.663 -3.60977 61.661 -164.107 -205.663 -164.107 -164.76 GPRESSURE: 3870800 257.917 78.5241 -136.471 101.849 130.587 -84.3393 -293.646 -303.669 -159.022 PRESSAVG: 3870800 -28.1977 -9.90326 22.8795 -9.90326 35.3694 -7.64901 22.8795 -7.64892 8.49132 GPRESSAVG: 3870800 -26.9057 -11.4708 23.4018 -9.52799 33.4594 -7.10587 22.8682 -8.64973 8.94443 TIMING: 3870800 CPU: 12231.8, 0.00315526/step Wall: 12231.8, 0.00315526/step, 0.989701 hours remaining, 234.734375 MB of memory in use. ENERGY: 3870800 3990.8360 20514.4780 14443.7548 232.7311 -203173.1689 2641.0263 0.0000 0.0000 52192.2027 -109158.1401 299.9493 -161350.3428 -108793.6269 300.3474 48.5694 76.4942 762526.2043 5.2210 5.1661 PRESSURE: 3871000 48.3211 -93.9818 120.899 -93.9821 271.031 108.582 120.898 108.582 374.012 GPRESSURE: 3871000 -26.8248 29.4966 54.1001 -67.2346 342.439 14.075 156.394 223.863 438.754 PRESSAVG: 3871000 -1.41011 8.00348 -27.7068 8.00346 16.2253 -29.8036 -27.7068 -29.8037 18.927 GPRESSAVG: 3871000 -0.73041 9.9486 -29.3439 6.63167 17.2527 -31.3375 -26.427 -29.0839 17.4516 TIMING: 3871000 CPU: 12232.4, 0.00315289/step Wall: 12232.4, 0.00315289/step, 0.988781 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871000 4011.0133 20594.9844 14436.0667 237.3497 -203560.4905 2777.8347 0.0000 0.0000 52436.2013 -109067.0404 301.3516 -161503.2417 -108704.3680 300.0150 231.1213 251.4561 759666.2397 11.2474 11.3246 PRESSURE: 3871200 237.245 97.8752 -99.0038 97.8752 259.712 -178.205 -99.0033 -178.205 -9.33302 GPRESSURE: 3871200 215.604 122.693 -85.3822 -64.8432 306.333 -123.724 -137.537 -199.383 33.5599 PRESSAVG: 3871200 9.69669 -35.6094 -29.6603 -35.6093 48.1122 30.6692 -29.6604 30.6692 -3.71243 GPRESSAVG: 3871200 8.88364 -37.6362 -28.9215 -36.1949 47.5051 30.4435 -31.2376 31.8269 -2.17357 TIMING: 3871200 CPU: 12233, 0.00316674/step Wall: 12233, 0.00316674/step, 0.992948 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871200 4002.3836 20723.1078 14498.1833 251.4907 -203456.4220 2870.5314 0.0000 0.0000 52144.2954 -108966.4299 299.6740 -161110.7253 -108611.4815 300.2823 162.5413 185.1655 760788.9686 18.0322 18.0717 PRESSURE: 3871400 -139.48 -41.4858 -53.4496 -41.4857 -13.7962 290.802 -53.4494 290.802 470.5 GPRESSURE: 3871400 -62.639 -49.1151 -16.3871 -136.639 -15.5091 215.627 -140.965 246.683 461.651 PRESSAVG: 3871400 19.2583 69.3426 -42.5801 69.3427 16.2156 -12.2307 -42.5801 -12.2308 37.4075 GPRESSAVG: 3871400 20.3289 70.3445 -41.5546 70.8267 16.0374 -13.6507 -41.5182 -12.2313 36.6441 TIMING: 3871400 CPU: 12233.7, 0.00316259/step Wall: 12233.7, 0.00316259/step, 0.991471 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871400 4031.1305 20551.5502 14417.8371 245.5596 -203068.7909 2460.5358 0.0000 0.0000 52280.6097 -109081.5678 300.4574 -161362.1776 -108717.4916 300.3576 105.7412 127.8344 761466.2849 24.2938 24.3368 PRESSURE: 3871600 -155.35 -59.472 186.022 -59.4717 -12.0215 -68.4298 186.022 -68.4298 198.671 GPRESSURE: 3871600 -79.5679 -67.4627 148.486 -106.965 59.219 0.321684 148.708 -50.8564 169.341 PRESSAVG: 3871600 -0.112714 22.2673 -4.29994 22.2673 -56.6094 -40.1604 -4.29996 -40.1604 26.6587 GPRESSAVG: 3871600 -0.565925 22.3324 -4.01735 21.0982 -55.5072 -39.4991 -5.73139 -42.3037 25.6677 TIMING: 3871600 CPU: 12234.3, 0.00315974/step Wall: 12234.3, 0.00315974/step, 0.990403 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871600 3929.2539 20709.1955 14455.0398 242.8748 -203373.1513 2759.5003 0.0000 0.0000 52180.4944 -109096.7925 299.8820 -161277.2869 -108735.2710 300.4607 10.4332 49.6642 761284.7538 -10.0211 -10.1351 PRESSURE: 3871800 89.0436 13.3206 187.992 13.3207 162.16 -141.88 187.992 -141.881 34.888 GPRESSURE: 3871800 116.923 69.7863 158.047 -29.4651 232.255 -155.16 207.093 -56.8078 25.7384 PRESSAVG: 3871800 86.0042 -10.5085 25.2548 -10.5085 -57.2122 -4.66888 25.2548 -4.66883 21.5525 GPRESSAVG: 3871800 85.437 -9.1762 25.3721 -11.6834 -57.9951 -3.9925 24.8888 -1.2406 22.5106 TIMING: 3871800 CPU: 12234.9, 0.00315036/step Wall: 12234.9, 0.00315036/step, 0.987289 hours remaining, 234.734375 MB of memory in use. ENERGY: 3871800 3936.4221 20585.8844 14399.6468 241.3686 -203350.6225 2718.9676 0.0000 0.0000 52328.5142 -109139.8188 300.7327 -161468.3330 -108784.9735 300.1620 95.3640 124.9721 760255.2609 16.7815 16.6508 PRESSURE: 3872000 -363.939 -80.4519 -349.235 -80.4525 179.854 55.4236 -349.234 55.4235 -318.14 GPRESSURE: 3872000 -279.505 -236.997 -316.525 -115.789 137.662 45.4824 -228.849 -19.1879 -276.336 PRESSAVG: 3872000 16.5411 22.2912 -27.9063 22.2912 0.339543 -15.3243 -27.9063 -15.3243 11.1773 GPRESSAVG: 3872000 15.9364 19.4769 -27.247 23.4168 0.214797 -13.5776 -27.7 -17.5746 11.9026 TIMING: 3872000 CPU: 12235.6, 0.00315843/step Wall: 12235.6, 0.00315843/step, 0.989641 hours remaining, 234.734375 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: 3872000 4002.3304 20843.3310 14427.4667 240.2251 -203187.2109 2270.9940 0.0000 0.0000 52145.2707 -109257.5930 299.6796 -161402.8637 -108895.4376 300.0137 -167.4086 -139.3931 761250.8217 9.3526 9.3513 PRESSURE: 3872200 -53.4964 83.977 157.791 83.9766 236.966 -206.503 157.79 -206.503 -16.2412 GPRESSURE: 3872200 -29.4791 55.0496 120.897 61.4152 262.176 -232.79 67.1912 -121.816 12.914 PRESSAVG: 3872200 51.9218 -15.3247 -15.0428 -15.3247 -14.0565 -73.525 -15.0428 -73.525 -22.7655 GPRESSAVG: 3872200 53.8707 -15.115 -17.1345 -13.6331 -14.3819 -75.4611 -13.473 -71.2759 -23.6726 TIMING: 3872200 CPU: 12236.2, 0.00315755/step Wall: 12236.2, 0.00315755/step, 0.989191 hours remaining, 234.734375 MB of memory in use. ENERGY: 3872200 4039.3812 20676.1086 14503.5243 250.8548 -203367.8782 2587.2324 0.0000 0.0000 52104.6185 -109206.1584 299.4460 -161310.7768 -108837.7562 299.5791 55.7429 81.8703 762098.8619 5.0333 5.2721 LDB: ============= START OF LOAD BALANCING ============== 12248.7 LDB: ============== END OF LOAD BALANCING =============== 12248.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12248.7 LDB: ============= START OF LOAD BALANCING ============== 12249 LDB: Largest compute 7026 load 0.033205 is 17.0% of average load 0.195623 LDB: Average compute 0.004379 is 2.2% of average load 0.195623 LDB: TIME 12249 LOAD: AVG 0.195623 MAX 0.21477 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.57 MB LDB: TIME 12249.1 LOAD: AVG 0.195623 MAX 0.21477 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.57 MB LDB: TIME 12249.1 LOAD: AVG 0.195623 MAX 0.21477 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.57 MB LDB: ============== END OF LOAD BALANCING =============== 12249.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12249.1 PRESSURE: 3872400 -181.719 5.07789 134.959 5.07764 -380.234 102.766 134.958 102.766 -277.729 GPRESSURE: 3872400 -184.18 -1.88301 175.723 -111.01 -325.183 -24.7619 181.635 86.2694 -249.239 PRESSAVG: 3872400 56.6796 -30.3652 -8.77647 -30.3652 -12.1584 -44.1645 -8.77646 -44.1644 -15.1613 GPRESSAVG: 3872400 54.6907 -30.4186 -8.1225 -31.1734 -10.9753 -43.7322 -9.45567 -46.5871 -14.3632 TIMING: 3872400 CPU: 12236.8, 0.0032286/step Wall: 12236.8, 0.0032286/step, 1.01127 hours remaining, 236.277344 MB of memory in use. ENERGY: 3872400 4027.0828 20569.5576 14486.2817 245.4174 -203155.7690 2566.6410 0.0000 0.0000 52062.5046 -109198.2840 299.2039 -161260.7886 -108840.4518 299.7490 -279.8937 -252.8674 763173.3843 9.7866 9.7841 PRESSURE: 3872600 -206.662 107.322 142.227 107.323 -250.313 -64.3649 142.228 -64.3647 -235.036 GPRESSURE: 3872600 -137.263 5.28238 162.593 38.2233 -256.527 -149.853 255.625 58.508 -207.818 PRESSAVG: 3872600 13.5696 -5.5852 25.0649 -5.5852 10.6618 23.995 25.0649 23.995 0.590042 GPRESSAVG: 3872600 13.4677 -3.84655 26.0105 -7.88476 10.6452 24.55 24.4779 25.5423 0.603985 TIMING: 3872600 CPU: 12237.5, 0.0031875/step Wall: 12237.5, 0.0031875/step, 0.998218 hours remaining, 236.347656 MB of memory in use. ENERGY: 3872600 4095.5113 20357.1493 14496.0863 239.5427 -203129.4572 2565.1270 0.0000 0.0000 51974.6362 -109401.4042 298.6989 -161376.0404 -109031.2405 299.4291 -230.6706 -200.5360 761477.2783 8.2738 8.2390 PRESSURE: 3872800 -218.322 74.1145 -51.3921 74.1147 -405.682 -183.881 -51.3917 -183.879 207.335 GPRESSURE: 3872800 -245.931 172.619 -8.24039 89.328 -330.993 -58.5234 -16.2805 -157.089 228.659 PRESSAVG: 3872800 -56.6265 -21.1269 -3.05804 -21.1268 27.3385 -37.9762 -3.05805 -37.9762 -11.4381 GPRESSAVG: 3872800 -55.5074 -23.4138 -1.92808 -18.7023 26.1096 -38.3029 -1.01862 -38.4072 -11.4021 TIMING: 3872800 CPU: 12238.1, 0.00316254/step Wall: 12238.1, 0.00316254/step, 0.990226 hours remaining, 236.347656 MB of memory in use. ENERGY: 3872800 3994.3230 20389.9796 14472.2492 245.6196 -203054.9482 2504.6266 0.0000 0.0000 52181.9966 -109266.1536 299.8907 -161448.1502 -108894.2551 299.2422 -138.8898 -116.0886 761517.1792 -13.5754 -13.6000 PRESSURE: 3873000 -42.6371 13.0298 15.8038 13.0311 113.239 -244.275 15.8036 -244.276 -117.964 GPRESSURE: 3873000 23.6233 55.2407 22.8075 -13.574 77.0107 -206.77 -105.096 -266.062 -76.641 PRESSAVG: 3873000 -37.1341 -51.0083 -2.98192 -51.0083 56.8488 -30.5519 -2.98185 -30.5519 -2.00102 GPRESSAVG: 3873000 -37.6424 -48.615 -5.71508 -52.0642 57.9674 -28.7515 -3.11604 -31.0009 -2.19649 TIMING: 3873000 CPU: 12238.7, 0.00319115/step Wall: 12238.7, 0.00319115/step, 0.999009 hours remaining, 236.347656 MB of memory in use. ENERGY: 3873000 3904.2590 20467.1705 14497.3934 271.9170 -203244.7445 2535.0503 0.0000 0.0000 51990.5749 -109578.3794 298.7905 -161568.9543 -109220.0218 298.6914 -15.7875 7.9976 762679.5292 5.9046 6.0428 PRESSURE: 3873200 0.113093 352.772 355.713 352.772 191.369 -113.351 355.713 -113.35 331.462 GPRESSURE: 3873200 111.362 278.644 236.329 268.406 194.196 -53.5672 397.272 -50.3156 300.663 PRESSAVG: 3873200 -66.5346 -13.5877 1.19121 -13.5877 66.2471 7.32434 1.19121 7.32437 -5.22087 GPRESSAVG: 3873200 -66.2811 -12.8873 2.32117 -15.4728 65.863 6.38407 1.06082 8.7918 -4.68352 TIMING: 3873200 CPU: 12239.4, 0.00318425/step Wall: 12239.4, 0.00318425/step, 0.996671 hours remaining, 236.347656 MB of memory in use. ENERGY: 3873200 3938.5911 20389.0282 14548.3301 228.1076 -203397.8318 2621.1534 0.0000 0.0000 52004.7402 -109667.8812 298.8720 -161672.6214 -109309.0599 298.8056 174.3146 202.0736 761874.0236 -1.8361 -1.7005 PRESSURE: 3873400 -126.022 -17.5921 -113.882 -17.592 47.1704 -16.1022 -113.881 -16.101 -148.145 GPRESSURE: 3873400 -160.567 46.8891 -42.7372 -30.0596 150.311 -24.0456 -144.633 -159.964 -134.218 PRESSAVG: 3873400 -51.4031 14.7006 -5.37196 14.7005 63.1355 -45.4056 -5.37193 -45.4057 7.32074 GPRESSAVG: 3873400 -52.8689 14.3774 -3.88297 16.2174 64.8409 -46.6534 -6.85886 -46.355 7.32781 TIMING: 3873400 CPU: 12240, 0.00316315/step Wall: 12240, 0.00316315/step, 0.989889 hours remaining, 236.347656 MB of memory in use. ENERGY: 3873400 3934.3404 20491.2290 14452.2764 248.4560 -203524.8859 2733.7758 0.0000 0.0000 51954.1621 -109710.6462 298.5813 -161664.8083 -109348.6742 298.3179 -75.6656 -48.1583 761758.0425 6.3511 6.4333 PRESSURE: 3873600 -84.9006 -99.2419 -142.347 -99.2418 80.3164 155.961 -142.346 155.961 305.244 GPRESSURE: 3873600 -10.7908 -73.5494 -253.373 -62.4161 64.9849 195.07 -13.715 -11.4943 341.124 PRESSAVG: 3873600 -54.8046 -6.70289 14.4098 -6.70288 -9.30106 -40.8968 14.4098 -40.8969 -5.70728 GPRESSAVG: 3873600 -53.2334 -6.49074 13.1002 -7.02541 -9.45296 -40.1558 16.0926 -38.9475 -6.83301 TIMING: 3873600 CPU: 12240.7, 0.00316117/step Wall: 12240.7, 0.00316117/step, 0.989094 hours remaining, 236.347656 MB of memory in use. ENERGY: 3873600 4015.3746 20544.1260 14541.0991 249.5782 -203449.1704 2604.5792 0.0000 0.0000 51989.3196 -109505.0937 298.7833 -161494.4132 -109143.4472 298.9574 100.2200 131.7727 759750.1733 -23.2710 -23.1731 PRESSURE: 3873800 -5.43571 4.02479 -11.2325 4.02415 -61.6371 8.80706 -11.2325 8.80611 210.923 GPRESSURE: 3873800 121.154 45.9299 -15.4009 21.6965 -78.5172 120.59 -74.7868 40.0563 190.82 PRESSAVG: 3873800 32.5694 17.4121 -8.60737 17.412 -27.7334 -48.2016 -8.60737 -48.2015 -10.2169 GPRESSAVG: 3873800 32.7217 18.228 -9.43755 16.1347 -28.1465 -48.5291 -8.80495 -50.6508 -9.67125 TIMING: 3873800 CPU: 12241.3, 0.00316144/step Wall: 12241.3, 0.00316144/step, 0.989003 hours remaining, 236.347656 MB of memory in use. ENERGY: 3873800 3925.5210 20482.2474 14514.3443 243.6897 -203484.2818 2730.7604 0.0000 0.0000 52020.8291 -109566.8900 298.9644 -161587.7190 -109217.4720 298.7588 47.9500 77.8191 762275.0368 -1.7936 -1.6987 PRESSURE: 3874000 66.8063 171.073 186.787 171.072 303.461 -18.4619 186.787 -18.4631 -243.602 GPRESSURE: 3874000 127.408 62.6309 239.735 165.139 268.715 -16.9276 129.525 -198.233 -186.565 PRESSAVG: 3874000 -28.686 25.454 -37.7706 25.454 -8.04359 12.7619 -37.7706 12.762 4.93199 GPRESSAVG: 3874000 -29.478 23.5123 -35.3887 27.8101 -7.88314 14.0375 -40.1025 13.763 5.49185 TIMING: 3874000 CPU: 12241.9, 0.00314264/step Wall: 12241.9, 0.00314264/step, 0.982949 hours remaining, 236.347656 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: 3874000 3969.0263 20375.2344 14489.0889 224.0923 -203854.4640 2984.6850 0.0000 0.0000 52147.7935 -109664.5437 299.6941 -161812.3371 -109300.6878 298.7493 42.2216 69.8528 761230.7951 -10.5992 -10.6231 PRESSURE: 3874200 -2.09329 151.822 -123.243 151.822 -137.686 -136.307 -123.243 -136.307 349.422 GPRESSURE: 3874200 55.5258 58.1537 -107.641 59.1812 -110.032 -152.614 -71.8257 -108.917 359.86 PRESSAVG: 3874200 43.2061 40.143 -7.56909 40.1429 -38.9072 -40.8946 -7.56898 -40.8947 9.67861 GPRESSAVG: 3874200 44.5006 40.5977 -8.38193 40.3029 -39.7432 -42.0952 -6.50611 -43.2067 9.14245 TIMING: 3874200 CPU: 12242.5, 0.0031665/step Wall: 12242.5, 0.0031665/step, 0.990235 hours remaining, 236.347656 MB of memory in use. ENERGY: 3874200 3983.1666 20486.5853 14543.2689 243.4020 -203334.8337 2607.1047 0.0000 0.0000 51970.3933 -109500.9128 298.6746 -161471.3060 -109152.7500 298.5693 69.8808 101.7846 761680.4690 4.6592 4.6333 PRESSURE: 3874400 141.667 -5.01179 142.503 -5.01185 139.995 -289.027 142.503 -289.026 -30.7801 GPRESSURE: 3874400 122.221 -112.771 165.186 49.2374 193.789 -194.097 60.0636 -203.104 20.9945 PRESSAVG: 3874400 11.9357 28.0696 -5.2776 28.0695 -2.29515 -40.4638 -5.27759 -40.4637 -47.865 GPRESSAVG: 3874400 12.0391 28.336 -7.05406 29.8283 -2.51873 -39.7582 -3.09163 -37.6287 -47.8345 TIMING: 3874400 CPU: 12243.2, 0.00316973/step Wall: 12243.2, 0.00316973/step, 0.991069 hours remaining, 236.347656 MB of memory in use. ENERGY: 3874400 4006.2329 20476.1494 14495.6247 246.6829 -203553.9713 2654.9421 0.0000 0.0000 51890.0576 -109784.2816 298.2129 -161674.3393 -109421.9609 298.4480 83.6273 112.3349 759709.4781 -12.7415 -12.7714 PRESSURE: 3874600 3.0534 -326.999 262.084 -326.999 157.491 19.9461 262.084 19.9467 91.2135 GPRESSURE: 3874600 119.28 -421.317 233.815 -296.113 141.486 22.2177 104.508 83.5928 101.674 PRESSAVG: 3874600 -11.5853 -42.9031 48.0884 -42.9032 -20.943 -50.489 48.0884 -50.489 10.8178 GPRESSAVG: 3874600 -13.3616 -42.1064 48.2149 -46.9892 -19.4526 -52.3598 46.5861 -51.1985 10.6942 TIMING: 3874600 CPU: 12243.8, 0.00314728/step Wall: 12243.8, 0.00314728/step, 0.983875 hours remaining, 236.347656 MB of memory in use. ENERGY: 3874600 4005.4312 20323.4235 14514.3915 252.3506 -203526.0140 2634.0231 0.0000 0.0000 51901.9267 -109894.4674 298.2811 -161796.3941 -109538.3274 298.0007 83.9192 120.8136 762029.6667 -7.2368 -7.3733 PRESSURE: 3874800 94.1592 295.489 -109.383 295.487 155.431 -156.443 -109.384 -156.442 117.715 GPRESSURE: 3874800 132.806 277.345 -56.9953 313.803 114.311 -216.91 -16.802 -83.9254 185.841 PRESSAVG: 3874800 0.686384 -52.0835 45.4708 -52.0835 2.7666 -73.9984 45.4708 -73.9985 -1.38262 GPRESSAVG: 3874800 2.59494 -52.3 46.8915 -48.2857 2.31062 -72.769 46.0077 -74.0121 -2.50871 TIMING: 3874800 CPU: 12244.4, 0.00315636/step Wall: 12244.4, 0.00315636/step, 0.986539 hours remaining, 236.347656 MB of memory in use. ENERGY: 3874800 3998.8208 20606.8378 14471.1808 237.8385 -203572.4812 2624.8482 0.0000 0.0000 51762.8184 -109870.1366 297.4816 -161632.9550 -109509.9988 298.3381 122.4353 144.3193 761344.5251 0.6901 0.7989 PRESSURE: 3875000 -259.505 101.881 -181.632 101.882 75.2956 68.0824 -181.632 68.0833 -46.6509 GPRESSURE: 3875000 -268.599 127.784 -128.888 39.2088 114.131 -62.9849 -204.015 98.6748 28.8922 PRESSAVG: 3875000 56.1491 26.4957 -41.6672 26.4957 -19.4248 -24.0814 -41.6673 -24.0814 -5.13497 GPRESSAVG: 3875000 55.9195 26.6959 -42.2257 25.7394 -20.1171 -23.961 -41.3397 -23.9768 -4.79688 TIMING: 3875000 CPU: 12245.1, 0.00318145/step Wall: 12245.1, 0.00318145/step, 0.994203 hours remaining, 236.347656 MB of memory in use. ENERGY: 3875000 4030.3702 20533.2400 14546.3075 253.0763 -203809.1579 2920.5335 0.0000 0.0000 51698.9886 -109826.6419 297.1148 -161525.6305 -109461.5483 298.0399 -76.9534 -41.8586 762284.0627 10.5298 10.3352 PRESSURE: 3875200 386.526 176.289 262.269 176.289 204.56 -39.5474 262.268 -39.5478 423.611 GPRESSURE: 3875200 365.321 91.3774 298.079 116.59 223.831 -123.318 126.748 -34.3555 501.474 PRESSAVG: 3875200 -9.91496 7.11835 56.4442 7.11841 23.1606 -26.0691 56.4441 -26.0691 8.49607 GPRESSAVG: 3875200 -11.1411 6.63784 56.4956 5.23373 23.2873 -27.4101 55.927 -26.1776 9.1586 TIMING: 3875200 CPU: 12245.7, 0.00315197/step Wall: 12245.7, 0.00315197/step, 0.984817 hours remaining, 236.347656 MB of memory in use. ENERGY: 3875200 3958.6159 20553.1341 14497.4473 251.6416 -203714.5690 2728.1965 0.0000 0.0000 51889.5656 -109835.9680 298.2100 -161725.5336 -109472.2428 298.5579 338.2323 363.5416 760219.3181 7.2472 7.1016 PRESSURE: 3875400 -107.927 20.1426 100.008 20.142 81.1592 121.37 100.008 121.37 273.046 GPRESSURE: 3875400 68.6385 -61.4205 153.707 -92.3696 11.6412 153.547 204.487 198.56 272.242 PRESSAVG: 3875400 -5.1967 7.73525 8.11412 7.73524 68.9386 -57.9292 8.11412 -57.9291 10.9385 GPRESSAVG: 3875400 -5.66266 7.36331 7.33822 7.51212 69.0339 -56.3925 8.47529 -58.1334 11.065 TIMING: 3875400 CPU: 12246.3, 0.00317237/step Wall: 12246.3, 0.00317237/step, 0.991012 hours remaining, 236.347656 MB of memory in use. ENERGY: 3875400 3976.4760 20479.4910 14477.9818 243.4733 -203763.6350 2509.5316 0.0000 0.0000 51989.3883 -110087.2931 298.7837 -162076.6814 -109727.8137 298.4750 82.0929 117.5073 761484.8137 24.8935 24.8121 PRESSURE: 3875600 -352.813 -42.2434 146.61 -42.2431 -145.3 -130.808 146.609 -130.808 181.257 GPRESSURE: 3875600 -347.852 -40.6431 189.979 -113.57 -68.7671 -204.636 95.5008 -82.9148 171.188 PRESSAVG: 3875600 2.30441 -25.5434 -12.9675 -25.5434 4.70829 -75.8969 -12.9675 -75.8969 -5.55279 GPRESSAVG: 3875600 3.64834 -24.8132 -12.5695 -24.8788 4.5132 -76.9603 -13.545 -74.7362 -6.85536 TIMING: 3875600 CPU: 12247, 0.00315501/step Wall: 12247, 0.00315501/step, 0.985416 hours remaining, 236.347656 MB of memory in use. ENERGY: 3875600 3961.9524 20384.0948 14608.5487 248.1867 -203426.3672 2225.5463 0.0000 0.0000 51771.7310 -110226.3073 297.5328 -161998.0382 -109858.5467 297.7414 -105.6187 -81.8105 762352.9250 0.4866 0.4354 PRESSURE: 3875800 -358.37 118.776 271.446 118.776 -289.476 47.5149 271.445 47.5156 -483.915 GPRESSURE: 3875800 -353.095 151.064 225.254 66.6191 -215.327 39.7054 187.684 9.47413 -480.964 PRESSAVG: 3875800 -33.795 -12.4064 46.6035 -12.4064 24.4956 -53.8579 46.6036 -53.8579 0.61448 GPRESSAVG: 3875800 -34.6191 -13.3007 46.0511 -13.5412 24.9915 -52.6204 45.7432 -57.0105 1.38393 TIMING: 3875800 CPU: 12247.6, 0.00315657/step Wall: 12247.6, 0.00315657/step, 0.985728 hours remaining, 236.347656 MB of memory in use. ENERGY: 3875800 3997.6123 20550.6226 14561.8944 239.1722 -203673.9689 2349.6181 0.0000 0.0000 51941.5778 -110033.4716 298.5090 -161975.0494 -109671.1714 297.9493 -377.2536 -349.7955 762549.0204 -2.8950 -2.7479 PRESSURE: 3876000 -22.4962 -36.1575 222.797 -36.1573 -46.9686 -68.4414 222.797 -68.4413 5.39533 GPRESSURE: 3876000 152.865 -61.0921 243.44 -54.2671 -107.075 150.7 190.921 -22.4568 -12.1708 PRESSAVG: 3876000 36.5386 9.7771 18.5801 9.77708 -74.0268 65.0022 18.58 65.0023 -14.22 GPRESSAVG: 3876000 39.0815 8.96645 18.0918 11.527 -75.8399 66.6615 16.7599 64.8379 -14.6915 TIMING: 3876000 CPU: 12248.2, 0.00315472/step Wall: 12248.2, 0.00315472/step, 0.984975 hours remaining, 236.347656 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: 3876000 3988.6699 20618.0077 14451.1232 238.0640 -203757.4112 2558.6965 0.0000 0.0000 51941.8332 -109961.0166 298.5104 -161902.8499 -109599.9581 298.0313 -21.3565 11.2067 763534.1944 -17.2361 -17.1500 PRESSURE: 3876200 185.82 -10.1509 -79.5447 -10.1506 -548.967 305.328 -79.5468 305.327 -95.743 GPRESSURE: 3876200 169.085 6.063 -14.3041 -56.8087 -413.511 262.902 -25.1716 285.434 -120.96 PRESSAVG: 3876200 -4.38066 3.05404 -18.7131 3.05406 9.05824 64.8148 -18.7131 64.8147 -12.7715 GPRESSAVG: 3876200 -5.28372 3.10094 -17.9797 3.84249 10.1023 63.3438 -16.4296 66.4677 -12.1741 TIMING: 3876200 CPU: 12248.9, 0.00316069/step Wall: 12248.9, 0.00316069/step, 0.986663 hours remaining, 236.347656 MB of memory in use. ENERGY: 3876200 4031.7821 20512.4491 14514.3633 260.1897 -203419.3273 2470.4277 0.0000 0.0000 51857.9264 -109772.1890 298.0282 -161630.1153 -109423.8031 298.6960 -152.9636 -121.7953 762326.7439 -2.6980 -2.4519 LDB: ============= START OF LOAD BALANCING ============== 12261.4 LDB: ============== END OF LOAD BALANCING =============== 12261.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12261.4 LDB: ============= START OF LOAD BALANCING ============== 12261.7 LDB: Largest compute 7057 load 0.034008 is 17.4% of average load 0.195574 LDB: Average compute 0.004373 is 2.2% of average load 0.195574 LDB: TIME 12261.7 LOAD: AVG 0.195574 MAX 0.213828 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.211 MB LDB: TIME 12261.7 LOAD: AVG 0.195574 MAX 0.213828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: TIME 12261.7 LOAD: AVG 0.195574 MAX 0.213828 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: ============== END OF LOAD BALANCING =============== 12261.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12261.7 PRESSURE: 3876400 -122.865 -224.391 -174.085 -224.391 -8.90864 -18.0214 -174.085 -18.0208 -165.234 GPRESSURE: 3876400 -36.4835 -118.458 -133.431 -210.147 112.423 2.65188 -92.1568 -103.896 -273.774 PRESSAVG: 3876400 48.3162 14.9493 1.16206 14.9493 -10.3246 30.7789 1.16203 30.7789 -14.6314 GPRESSAVG: 3876400 47.9642 13.7182 2.75323 15.9013 -9.71339 30.8338 -0.708874 29.5126 -14.763 TIMING: 3876400 CPU: 12249.5, 0.00323838/step Wall: 12249.5, 0.00323838/step, 1.01073 hours remaining, 237.566406 MB of memory in use. ENERGY: 3876400 3982.7469 20387.8010 14484.9158 255.9808 -203116.4732 2552.7468 0.0000 0.0000 51654.4972 -109797.7847 296.8591 -161452.2819 -109442.7110 298.2346 -99.0026 -65.9446 762291.2784 7.7868 7.8293 PRESSURE: 3876600 -432.893 206.319 156.137 206.319 -277.383 147.71 156.136 147.711 -10.1438 GPRESSURE: 3876600 -396.981 337.466 156.721 151.433 -164.084 134.476 134.702 166.01 -68.3409 PRESSAVG: 3876600 3.55794 24.3138 10.7168 24.3138 -21.6405 34.4759 10.7169 34.4759 6.26832 GPRESSAVG: 3876600 5.01275 25.1765 9.71604 23.4557 -22.4393 33.6921 11.8296 35.8803 5.54128 TIMING: 3876600 CPU: 12250.1, 0.00316795/step Wall: 12250.1, 0.00316795/step, 0.988577 hours remaining, 237.710938 MB of memory in use. ENERGY: 3876600 4088.0699 20471.6067 14495.9039 235.7194 -203315.1349 2492.6369 0.0000 0.0000 51706.1375 -109825.0607 297.1559 -161531.1981 -109464.4748 298.4766 -240.1398 -209.8021 761100.7519 -3.9381 -3.9617 PRESSURE: 3876800 182.214 275.751 133.713 275.75 -183.813 -97.9915 133.713 -97.9927 89.4473 GPRESSURE: 3876800 205.553 153.789 145.491 396.718 -103.937 -58.8612 76.2821 3.60562 76.7204 PRESSAVG: 3876800 25.7876 -47.9524 54.9297 -47.9524 -12.0075 -3.20995 54.9296 -3.21001 3.60403 GPRESSAVG: 3876800 24.7996 -47.4238 54.4033 -50.2068 -11.8986 -3.40111 55.2925 -2.63457 5.51956 TIMING: 3876800 CPU: 12250.8, 0.00317997/step Wall: 12250.8, 0.00317997/step, 0.992149 hours remaining, 237.710938 MB of memory in use. ENERGY: 3876800 3995.3018 20568.9524 14479.7584 234.6645 -203767.0047 3040.1723 0.0000 0.0000 51768.9380 -109679.2174 297.5168 -161448.1554 -109313.7684 298.3965 29.2828 59.4453 760415.8283 5.7947 6.1402 PRESSURE: 3877000 29.8575 161.114 14.5636 161.114 -122.862 -189.044 14.5621 -189.045 -359.634 GPRESSURE: 3877000 50.2553 183.542 77.2713 38.154 -116.786 -167.293 -133.254 -200.921 -304.033 PRESSAVG: 3877000 23.7381 -13.4311 49.9508 -13.4311 -25.481 47.749 49.9508 47.749 -6.53904 GPRESSAVG: 3877000 22.9265 -14.7456 49.5133 -12.228 -25.1769 49.8268 50.1629 46.7542 -6.20644 TIMING: 3877000 CPU: 12251.4, 0.00315084/step Wall: 12251.4, 0.00315084/step, 0.982886 hours remaining, 237.914062 MB of memory in use. ENERGY: 3877000 4012.3108 20788.6916 14386.0058 243.0910 -203516.0055 2674.7099 0.0000 0.0000 51669.9072 -109741.2892 296.9477 -161411.1964 -109388.1929 298.7133 -150.8796 -123.5215 761078.5057 -2.7606 -2.8189 PRESSURE: 3877200 161.114 102.702 -131.074 102.702 118.769 -68.4158 -131.075 -68.4158 344.436 GPRESSURE: 3877200 185.11 196.953 -48.9383 35.7807 226.17 -51.3911 -84.8324 -133.136 300.254 PRESSAVG: 3877200 8.52697 6.56467 3.20838 6.56463 3.73901 33.7531 3.20843 33.7532 11.0678 GPRESSAVG: 3877200 8.85569 8.47659 5.80972 6.36895 3.89442 32.3421 1.53638 34.3917 10.2431 TIMING: 3877200 CPU: 12252, 0.00315941/step Wall: 12252, 0.00315941/step, 0.985385 hours remaining, 237.980469 MB of memory in use. ENERGY: 3877200 3955.3403 20406.3733 14519.9260 244.7700 -203144.2524 2472.7533 0.0000 0.0000 52019.5344 -109525.5551 298.9570 -161545.0895 -109156.7749 298.4278 208.1062 237.1783 760344.3057 7.7779 7.6644 PRESSURE: 3877400 -93.3179 6.34705 -46.3032 6.34735 38.4964 -47.9733 -46.3034 -47.972 -42.1397 GPRESSURE: 3877400 10.0609 120 -49.1708 66.2559 32.8426 7.14475 -129.666 -208.483 -48.4296 PRESSAVG: 3877400 34.733 -59.2342 -14.2205 -59.2342 18.3815 -44.7323 -14.2205 -44.7323 16.5989 GPRESSAVG: 3877400 35.0182 -60.6879 -14.1349 -56.7548 18.7546 -45.6957 -13.3056 -43.4413 16.3856 TIMING: 3877400 CPU: 12252.7, 0.00316656/step Wall: 12252.7, 0.00316656/step, 0.987439 hours remaining, 237.980469 MB of memory in use. ENERGY: 3877400 4044.6942 20487.4786 14476.2208 264.6986 -203516.4517 2752.8303 0.0000 0.0000 51961.9462 -109528.5828 298.6260 -161490.5291 -109163.1768 299.1639 -32.3204 -1.8420 760479.5335 23.2378 23.3861 PRESSURE: 3877600 -243.989 -53.2278 55.1127 -53.2271 83.7744 22.0642 55.1126 22.0643 80.763 GPRESSURE: 3877600 -192.271 -50.697 80.0399 -88.6669 132.194 91.7126 19.1644 -3.36963 71.8618 PRESSAVG: 3877600 44.1727 -33.8716 35.9111 -33.8716 -36.8267 39.0234 35.9112 39.0234 -5.49991 GPRESSAVG: 3877600 44.0041 -35.4304 35.2244 -33.7994 -36.2963 39.2234 35.077 40.2209 -5.9471 TIMING: 3877600 CPU: 12253.3, 0.0031786/step Wall: 12253.3, 0.0031786/step, 0.991016 hours remaining, 238.050781 MB of memory in use. ENERGY: 3877600 3909.0998 20491.4657 14497.6200 243.7188 -203433.5034 2478.2495 0.0000 0.0000 52079.6306 -109733.7190 299.3024 -161813.3496 -109378.4653 298.9352 -26.4839 3.9283 759933.6166 0.6154 0.5869 PRESSURE: 3877800 82.9329 -109.36 -43.2822 -109.36 79.8589 -121.718 -43.2834 -121.718 175.576 GPRESSURE: 3877800 79.8651 -148.744 -105.593 -37.7654 133.067 -175.702 95.4053 -231.045 202.924 PRESSAVG: 3877800 -2.60779 -21.2583 48.2873 -21.2582 19.4946 -32.343 48.2874 -32.343 -5.52023 GPRESSAVG: 3877800 -1.35951 -20.2554 46.6913 -21.6055 18.5416 -30.8608 48.7353 -35.3879 -4.93458 TIMING: 3877800 CPU: 12253.9, 0.00316574/step Wall: 12253.9, 0.00316574/step, 0.986831 hours remaining, 238.050781 MB of memory in use. ENERGY: 3877800 3939.1667 20459.2318 14454.1478 250.2771 -203300.1242 2577.6963 0.0000 0.0000 52203.4119 -109416.1927 300.0137 -161619.6047 -109050.4052 298.9076 112.7892 138.6186 760892.8725 3.7889 4.0825 PRESSURE: 3878000 152.642 103.99 191.997 103.991 -25.1583 -45.5264 191.998 -45.5264 190.318 GPRESSURE: 3878000 261.015 43.5313 155.157 -9.5291 -44.7272 -51.562 225.011 -25.9137 182.286 PRESSAVG: 3878000 76.5034 -35.3666 76.0854 -35.3666 -25.4016 -34.6651 76.0854 -34.6651 17.3958 GPRESSAVG: 3878000 75.4802 -35.4386 74.4209 -35.2373 -24.6508 -34.0884 79.3355 -35.4763 18.0369 TIMING: 3878000 CPU: 12254.6, 0.00316272/step Wall: 12254.6, 0.00316272/step, 0.985715 hours remaining, 238.050781 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: 3878000 4022.1151 20561.8618 14494.3003 230.8141 -203148.7517 2373.8337 0.0000 0.0000 52101.6226 -109364.2042 299.4287 -161465.8268 -109009.3082 299.8903 105.9339 132.8579 758902.7047 22.8325 22.9555 PRESSURE: 3878200 -39.227 126.65 80.5417 126.651 -283.289 111.677 80.5408 111.678 -180.386 GPRESSURE: 3878200 -9.97432 104.725 106.987 103.731 -179.844 116.546 135.76 216.749 -214.759 PRESSAVG: 3878200 39.1603 -19.3021 68.2407 -19.3021 -0.197483 7.35827 68.2407 7.35825 -1.53129 GPRESSAVG: 3878200 38.8314 -19.148 67.5241 -20.0608 0.0075739 5.86269 66.8231 9.26822 -1.37321 TIMING: 3878200 CPU: 12255.2, 0.00315174/step Wall: 12255.2, 0.00315174/step, 0.982119 hours remaining, 238.050781 MB of memory in use. ENERGY: 3878200 3936.8332 20474.9718 14475.3866 267.7531 -203049.8181 2483.6730 0.0000 0.0000 52022.6950 -109388.5054 298.9751 -161411.2004 -109021.9298 299.4541 -167.6338 -134.8593 760984.1202 12.4772 12.4886 PRESSURE: 3878400 48.3719 179.253 18.8319 179.253 -218.718 108.118 18.8331 108.119 -15.4582 GPRESSURE: 3878400 85.016 152.17 -34.0778 224.953 -157.402 116.284 11.6847 24.2731 -38.2612 PRESSAVG: 3878400 17.8858 15.6909 91.0755 15.6909 -75.903 51.6343 91.0755 51.6343 -22.5249 GPRESSAVG: 3878400 17.696 16.958 93.3527 13.5171 -75.6173 51.6721 90.2014 49.6648 -22.8699 TIMING: 3878400 CPU: 12255.8, 0.0031736/step Wall: 12255.8, 0.0031736/step, 0.988752 hours remaining, 238.050781 MB of memory in use. ENERGY: 3878400 3963.8869 20443.7908 14490.1806 262.9375 -203420.0673 2430.2315 0.0000 0.0000 52340.6223 -109488.4176 300.8023 -161829.0400 -109116.3927 298.6828 -61.9349 -36.8826 760029.4793 -26.8474 -26.9304 PRESSURE: 3878600 -222.908 10.5671 166.856 10.5669 101.665 31.0787 166.855 31.0788 103.285 GPRESSURE: 3878600 -152.256 111.801 169.56 34.3669 134.047 68.9945 120.646 -0.311542 81.1304 PRESSAVG: 3878600 40.2459 -16.756 31.8397 -16.756 -39.9558 -19.4942 31.8397 -19.4943 -29.0857 GPRESSAVG: 3878600 40.2247 -18.2971 33.4795 -14.6862 -40.086 -19.8248 33.2317 -20.1752 -28.2581 TIMING: 3878600 CPU: 12256.5, 0.00315886/step Wall: 12256.5, 0.00315886/step, 0.983984 hours remaining, 238.050781 MB of memory in use. ENERGY: 3878600 3967.6480 20423.1710 14530.2685 250.9669 -203116.0985 2461.4423 0.0000 0.0000 52120.8533 -109361.7485 299.5393 -161482.6018 -108997.5665 299.3732 -5.9860 20.9737 760992.7057 -9.5985 -9.3731 PRESSURE: 3878800 429.672 403.377 39.6858 403.377 364.619 -3.71437 39.6855 -3.71593 521.152 GPRESSURE: 3878800 454.422 395.542 31.0743 280.508 345.22 23.8975 50.0181 5.41981 598.08 PRESSAVG: 3878800 26.8133 48.711 -11.972 48.7111 10.2706 -30.5524 -11.9721 -30.5524 21.1321 GPRESSAVG: 3878800 26.7253 48.5643 -13.7287 47.8445 11.0445 -30.2702 -15.2841 -28.9108 21.0451 TIMING: 3878800 CPU: 12257.1, 0.00315553/step Wall: 12257.1, 0.00315553/step, 0.982772 hours remaining, 238.050781 MB of memory in use. ENERGY: 3878800 4021.6785 20538.1173 14465.0112 248.2171 -203086.1626 2460.3241 0.0000 0.0000 52036.9655 -109315.8488 299.0572 -161352.8144 -108955.1576 299.3193 438.4811 465.9070 760138.4938 19.4053 19.6050 PRESSURE: 3879000 115.768 -219.788 -72.1539 -219.788 -23.3822 230.589 -72.1537 230.589 42.2069 GPRESSURE: 3879000 147.125 -215.273 -9.78936 -170.117 12.2012 207.064 -159.712 220.916 72.3178 PRESSAVG: 3879000 28.5723 44.6791 41.3709 44.6792 -22.2392 24.0524 41.3709 24.0524 0.372681 GPRESSAVG: 3879000 29.3815 46.4138 40.7166 46.7606 -22.9283 23.7692 43.5093 23.1133 0.268124 TIMING: 3879000 CPU: 12257.7, 0.00317982/step Wall: 12257.7, 0.00317982/step, 0.99016 hours remaining, 238.050781 MB of memory in use. ENERGY: 3879000 4032.5248 20587.8119 14453.0514 241.2048 -203533.4885 2745.4135 0.0000 0.0000 52214.3933 -109259.0890 300.0768 -161473.4822 -108897.5551 299.5857 44.8644 77.2145 761634.4965 2.2353 2.2404 PRESSURE: 3879200 -192.555 -256.393 82.0049 -256.394 -323.461 15.1519 82.0062 15.1524 -137.322 GPRESSURE: 3879200 -145.707 -211.971 63.1686 -234.066 -302.868 -79.1377 206.387 131.094 -124.214 PRESSAVG: 3879200 -23.7756 -31.9737 79.5444 -31.9737 -41.2883 17.4883 79.5444 17.4883 3.84152 GPRESSAVG: 3879200 -24.5484 -30.7873 79.9604 -34.1389 -40.7774 18.0844 79.7877 17.6806 3.72695 TIMING: 3879200 CPU: 12258.4, 0.0031692/step Wall: 12258.4, 0.0031692/step, 0.986677 hours remaining, 238.050781 MB of memory in use. ENERGY: 3879200 4046.2871 20558.8235 14513.9567 249.1940 -203335.3920 2420.1816 0.0000 0.0000 52157.1735 -109389.7756 299.7480 -161546.9492 -109031.0620 299.5641 -217.7793 -190.9297 760376.0706 -20.4075 -20.5330 PRESSURE: 3879400 86.7065 -236.908 8.7617 -236.908 -71.4386 -8.57453 8.76226 -8.57533 -12.8177 GPRESSURE: 3879400 84.4312 -149.285 21.6869 -152.927 -118.895 1.65881 106.827 -28.7887 113.066 PRESSAVG: 3879400 15.9063 -49.0316 47.8227 -49.0314 37.4522 -18.6621 47.8228 -18.6621 19.8716 GPRESSAVG: 3879400 15.6148 -50.3462 48.5998 -50.0124 38.2147 -19.9344 49.2006 -18.7108 18.917 TIMING: 3879400 CPU: 12259, 0.00314932/step Wall: 12259, 0.00314932/step, 0.980313 hours remaining, 238.050781 MB of memory in use. ENERGY: 3879400 4038.5272 20447.1061 14522.7973 235.0072 -203515.6085 2744.2214 0.0000 0.0000 52063.0338 -109464.9155 299.2070 -161527.9493 -109103.2510 299.7398 0.8167 26.2006 759925.5584 24.4100 24.2488 PRESSURE: 3879600 146.552 -78.6501 -64.6064 -78.6501 5.55822 -33.4667 -64.6057 -33.4667 -53.8264 GPRESSURE: 3879600 173.459 -103.254 -77.408 -86.3608 25.7501 55.3812 -93.1372 -196.9 -12.2435 PRESSAVG: 3879600 -25.4563 -32.8988 -1.64057 -32.8988 55.5888 -38.7296 -1.64057 -38.7295 -29.7014 GPRESSAVG: 3879600 -24.1908 -32.8451 -2.68018 -32.5745 53.0101 -39.112 -3.79047 -36.9794 -28.7275 TIMING: 3879600 CPU: 12259.6, 0.00317612/step Wall: 12259.6, 0.00317612/step, 0.98848 hours remaining, 238.050781 MB of memory in use. ENERGY: 3879600 4038.4156 20695.7349 14532.1996 236.1290 -203743.5926 2876.4071 0.0000 0.0000 52119.8872 -109244.8192 299.5337 -161364.7064 -108888.7126 299.7509 32.7614 62.3218 761197.6087 0.1437 0.0306 PRESSURE: 3879800 -23.0281 60.2808 39.4379 60.2802 104.39 -71.1495 39.4382 -71.1495 -68.5676 GPRESSURE: 3879800 42.6471 117.422 109.077 85.9084 61.0919 -38.6253 12.7826 0.927679 5.02699 PRESSAVG: 3879800 -49.6612 -27.5042 -8.17154 -27.5041 40.417 -3.13433 -8.17152 -3.13429 14.5346 GPRESSAVG: 3879800 -51.646 -29.2605 -7.53241 -25.3001 42.0261 -1.64069 -7.6156 -4.43167 14.4955 TIMING: 3879800 CPU: 12260.3, 0.00315008/step Wall: 12260.3, 0.00315007/step, 0.980198 hours remaining, 238.050781 MB of memory in use. ENERGY: 3879800 4058.2850 20641.9170 14510.4238 237.6964 -203612.8831 2686.3628 0.0000 0.0000 52146.1440 -109332.0540 299.6846 -161478.1980 -108969.0707 300.0361 4.2646 36.2553 761881.7164 1.7635 1.6252 PRESSURE: 3880000 -393.557 0.345174 80.4674 0.345279 -86.2234 -153.38 80.4675 -153.379 -0.446388 GPRESSURE: 3880000 -243.622 -58.7787 84.7044 20.7208 -127.213 -113.68 75.9825 -185.109 -11.7849 PRESSAVG: 3880000 -41.7297 -12.2476 20.5211 -12.2476 55.5971 -0.66918 20.5212 -0.669217 -3.95808 GPRESSAVG: 3880000 -39.7725 -12.6774 20.7027 -13.7647 54.3978 1.70133 21.2167 -3.44475 -4.23813 TIMING: 3880000 CPU: 12260.9, 0.00317171/step Wall: 12260.9, 0.00317171/step, 0.986755 hours remaining, 238.050781 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: 3880000 4082.3925 20561.2084 14543.7875 256.7962 -203592.9268 2661.5524 0.0000 0.0000 51937.1961 -109549.9937 298.4838 -161487.1898 -109188.7485 298.9463 -160.0756 -127.5398 760916.0082 3.3031 3.4624 PRESSURE: 3880200 -12.8133 122.727 -268.453 122.727 -227.257 171.108 -268.453 171.108 244.949 GPRESSURE: 3880200 -4.55571 213.322 -310.022 66.368 -132.712 160.971 -268.109 100.113 225.572 PRESSAVG: 3880200 77.6746 -26.4552 -19.7404 -26.4552 -48.8794 9.7615 -19.7405 9.76143 -18.7551 GPRESSAVG: 3880200 76.3363 -23.1941 -21.3929 -26.5851 -47.5974 6.8426 -19.0135 12.141 -19.4673 TIMING: 3880200 CPU: 12261.5, 0.00318575/step Wall: 12261.5, 0.00318575/step, 0.990945 hours remaining, 238.050781 MB of memory in use. ENERGY: 3880200 4002.3632 20442.2013 14430.8971 245.4235 -203714.7657 2844.9250 0.0000 0.0000 52169.0962 -109579.8593 299.8165 -161748.9555 -109213.3514 299.0244 1.6262 29.4348 761825.3274 3.3467 3.0905 LDB: ============= START OF LOAD BALANCING ============== 12274.1 LDB: ============== END OF LOAD BALANCING =============== 12274.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12274.1 LDB: ============= START OF LOAD BALANCING ============== 12274.4 LDB: Largest compute 7026 load 0.033976 is 17.4% of average load 0.195618 LDB: Average compute 0.004383 is 2.2% of average load 0.195618 LDB: TIME 12274.4 LOAD: AVG 0.195618 MAX 0.21403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12274.4 LOAD: AVG 0.195618 MAX 0.21403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 12274.4 LOAD: AVG 0.195618 MAX 0.21403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 12274.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12274.4 PRESSURE: 3880400 -28.6757 162.633 285.029 162.633 -245.093 -7.36676 285.029 -7.36702 96.6444 GPRESSURE: 3880400 -16.5985 91.1826 263.325 143.476 -189.948 -15.7256 182.996 -133.131 112.275 PRESSAVG: 3880400 -4.3691 -5.48588 -14.0975 -5.48592 43.1702 -36.7093 -14.0975 -36.7092 23.939 GPRESSAVG: 3880400 -3.42637 -6.85656 -12.7404 -6.11877 41.7899 -36.2384 -15.4374 -38.1156 24.4602 TIMING: 3880400 CPU: 12262.2, 0.00322353/step Wall: 12262.2, 0.00322353/step, 1.00252 hours remaining, 235.449219 MB of memory in use. ENERGY: 3880400 4027.3500 20531.9846 14444.7947 252.8260 -203365.8130 2586.5912 0.0000 0.0000 51956.6727 -109565.5939 298.5957 -161522.2666 -109204.9989 298.7705 -59.0414 -31.4238 762870.1501 20.9134 20.9412 PRESSURE: 3880600 47.7969 95.3655 -18.0562 95.3659 -118.847 151.65 -18.0568 151.65 312.27 GPRESSURE: 3880600 -0.0748372 27.3028 105.928 7.69167 23.3726 31.9896 -16.5834 128.487 311.576 PRESSAVG: 3880600 19.9347 23.5942 17.5192 23.5942 -24.2961 -17.0633 17.5192 -17.0633 -4.48985 GPRESSAVG: 3880600 20.2391 24.7006 17.5331 22.9039 -24.2198 -17.5456 15.771 -17.182 -5.45378 TIMING: 3880600 CPU: 12262.8, 0.0031431/step Wall: 12262.8, 0.0031431/step, 0.977329 hours remaining, 235.910156 MB of memory in use. ENERGY: 3880600 3972.4744 20400.8671 14400.2426 253.3287 -203297.9480 2678.8108 0.0000 0.0000 52032.5209 -109559.7036 299.0316 -161592.2245 -109188.8298 299.1257 80.4065 111.6245 761284.4148 -2.9504 -3.1448 PRESSURE: 3880800 87.5261 124.187 -319.824 124.186 -288.758 -9.33614 -319.825 -9.33707 -341.4 GPRESSURE: 3880800 60.4857 206.424 -290.731 93.9964 -200.905 12.3772 -176.05 -8.44933 -336.221 PRESSAVG: 3880800 42.2662 12.4408 -35.3575 12.4409 -42.6875 -9.27287 -35.3575 -9.27286 -9.1516 GPRESSAVG: 3880800 42.6788 9.93311 -36.0693 14.6429 -44.2177 -10.2008 -32.536 -7.62451 -7.88512 TIMING: 3880800 CPU: 12263.5, 0.00316969/step Wall: 12263.5, 0.00316969/step, 0.985423 hours remaining, 235.921875 MB of memory in use. ENERGY: 3880800 3955.6575 20549.8485 14575.5711 224.6966 -203147.5950 2377.3789 0.0000 0.0000 51935.1706 -109529.2718 298.4721 -161464.4424 -109166.5621 299.2733 -180.8772 -158.8802 761792.4477 -3.1910 -3.1413 PRESSURE: 3881000 -171.344 38.4913 20.5372 38.4909 -39.5292 -48.6643 20.5367 -48.6647 171.908 GPRESSURE: 3881000 -112.151 -4.55829 -17.5202 92.3652 30.3457 25.9009 105.926 86.0877 123.676 PRESSAVG: 3881000 19.579 33.4907 7.73603 33.4907 11.2075 13.4318 7.73594 13.4318 15.4246 GPRESSAVG: 3881000 18.3813 33.7486 7.38756 31.6136 12.5225 15.2232 7.11767 14.0462 14.6461 TIMING: 3881000 CPU: 12264.1, 0.00315679/step Wall: 12264.1, 0.00315679/step, 0.981235 hours remaining, 235.992188 MB of memory in use. ENERGY: 3881000 4009.2670 20618.2150 14519.9049 237.2936 -203317.2341 2442.2471 0.0000 0.0000 52087.5972 -109402.7092 299.3481 -161490.3064 -109039.6135 299.3260 -12.9883 13.9568 760607.4073 15.4037 15.1833 PRESSURE: 3881200 220.07 99.6066 -101.157 99.606 94.4449 67.5866 -101.157 67.5868 -65.0962 GPRESSURE: 3881200 252.112 34.4589 -81.3509 93.8137 118.235 95.7534 -69.6476 20.7668 -15.2477 PRESSAVG: 3881200 27.3067 35.2456 3.31143 35.2456 46.7348 -31.6465 3.31142 -31.6466 -3.85172 GPRESSAVG: 3881200 27.7452 36.6948 5.31372 36.0746 46.0028 -32.844 2.12015 -31.5564 -3.49081 TIMING: 3881200 CPU: 12264.7, 0.00317252/step Wall: 12264.7, 0.00317252/step, 0.985949 hours remaining, 235.992188 MB of memory in use. ENERGY: 3881200 4012.7571 20485.0321 14498.0912 236.4020 -203521.5752 2723.1999 0.0000 0.0000 52117.9929 -109448.1001 299.5228 -161566.0930 -109081.9212 300.0132 83.1395 118.3662 761736.5747 23.3966 23.4191 PRESSURE: 3881400 6.82949 -53.2049 -202.497 -53.2052 -152.714 -59.7916 -202.497 -59.7918 243.049 GPRESSURE: 3881400 -43.3162 -76.5611 -123.724 -41.7816 -58.8318 -19.1213 -89.1351 -54.8742 288.17 PRESSAVG: 3881400 -34.294 44.927 4.65306 44.9269 -4.94697 -26.3739 4.65306 -26.3738 -11.7986 GPRESSAVG: 3881400 -35.1781 42.8107 4.61613 45.175 -3.39664 -27.0289 6.45887 -25.5837 -12.3039 TIMING: 3881400 CPU: 12265.3, 0.00315711/step Wall: 12265.3, 0.00315711/step, 0.980985 hours remaining, 235.992188 MB of memory in use. ENERGY: 3881400 3944.3869 20808.6785 14537.7719 239.0795 -203706.4080 2573.7951 0.0000 0.0000 52031.8884 -109570.8077 299.0280 -161602.6961 -109221.4605 299.3144 32.3882 62.0073 760839.2574 -17.0132 -16.9595 PRESSURE: 3881600 -66.9155 -32.9985 37.972 -32.9975 -174.787 -64.177 37.9732 -64.1766 -278.244 GPRESSURE: 3881600 -59.4182 4.85876 143.683 43.5944 -116.305 -133.213 12.5604 -9.46441 -253.844 PRESSAVG: 3881600 -12.2434 40.2224 43.4692 40.2223 54.9292 -35.6204 43.4692 -35.6204 21.9034 GPRESSAVG: 3881600 -12.768 41.1993 42.396 41.5066 54.8942 -35.1183 44.006 -35.807 22.2266 TIMING: 3881600 CPU: 12266, 0.00315414/step Wall: 12266, 0.00315414/step, 0.979887 hours remaining, 235.992188 MB of memory in use. ENERGY: 3881600 3961.7279 20495.6369 14567.1709 239.3642 -203359.7613 2407.8212 0.0000 0.0000 52313.5177 -109374.5226 300.6465 -161688.0403 -109008.2904 299.5645 -173.3155 -143.1890 762539.9211 21.5298 21.4510 PRESSURE: 3881800 -214.02 375.569 77.969 375.568 -332.971 -101.879 77.968 -101.879 -23.7956 GPRESSURE: 3881800 -122.082 308.076 70.8979 360.55 -328.593 -123.303 -109.985 0.046498 -26.7626 PRESSAVG: 3881800 -13.2203 60.4044 -1.11684 60.4045 1.89472 -19.9677 -1.11685 -19.9677 7.64014 GPRESSAVG: 3881800 -12.2669 59.6936 -1.72156 60.4705 1.13685 -20.9439 -1.42519 -21.0474 7.35442 TIMING: 3881800 CPU: 12266.6, 0.00316031/step Wall: 12266.6, 0.00316031/step, 0.981627 hours remaining, 235.992188 MB of memory in use. ENERGY: 3881800 3996.7511 20392.1646 14564.9675 243.0160 -202821.6982 2257.0879 0.0000 0.0000 52177.3961 -109190.3150 299.8642 -161367.7110 -108826.6750 299.7614 -190.2623 -159.1458 763067.2256 -1.2285 -1.2586 PRESSURE: 3882000 81.2922 -140.225 129.789 -140.224 128.677 -86.519 129.789 -86.5189 140.237 GPRESSURE: 3882000 168.007 -9.16392 204.524 -123.655 59.5109 -161.519 57.1141 80.339 182.097 PRESSAVG: 3882000 16.6997 20.5366 -15.9775 20.5366 -9.71001 -20.1218 -15.9775 -20.1217 2.75898 GPRESSAVG: 3882000 15.7148 20.3888 -14.644 20.4055 -9.22753 -17.6207 -15.618 -20.8209 3.20685 TIMING: 3882000 CPU: 12267.2, 0.00317875/step Wall: 12267.2, 0.00317876/step, 0.98718 hours remaining, 236.195312 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: 3882000 4043.6454 20690.2751 14623.4198 238.0314 -203292.9627 2402.8627 0.0000 0.0000 52112.3212 -109182.4069 299.4902 -161294.7281 -108817.0099 299.3150 116.7353 136.5381 762940.7509 3.2496 3.2314 PRESSURE: 3882200 165.035 33.5082 -138.339 33.5082 114.201 48.1743 -138.339 48.1743 367.417 GPRESSURE: 3882200 235.932 -12.6291 -191.212 91.3482 107.527 35.6935 7.1968 65.7855 396.533 PRESSAVG: 3882200 -31.3925 37.0412 39.6908 37.0413 4.71993 21.0125 39.6907 21.0126 -0.508797 GPRESSAVG: 3882200 -30.1568 38.0872 39.0956 36.2919 4.95492 21.2123 39.0816 22.9003 -1.10981 TIMING: 3882200 CPU: 12267.9, 0.0031821/step Wall: 12267.9, 0.0031821/step, 0.988042 hours remaining, 236.195312 MB of memory in use. ENERGY: 3882200 4001.8122 20741.1449 14502.9473 256.4269 -203417.2255 2710.2809 0.0000 0.0000 52279.5405 -108925.0729 300.4512 -161204.6134 -108569.6602 300.0095 215.5507 246.6643 762720.5225 -9.0604 -8.7706 PRESSURE: 3882400 -476.147 -166.312 -139.974 -166.312 -86.5193 -72.6384 -139.973 -72.6386 -70.0588 GPRESSURE: 3882400 -402.944 -149.765 -225.999 -200.42 -87.3834 -141.227 -124.748 -25.1891 -51.4582 PRESSAVG: 3882400 15.9341 25.6324 22.4598 25.6324 43.3217 -9.94112 22.4598 -9.94114 3.13692 GPRESSAVG: 3882400 15.1454 26.7653 21.4721 26.3741 43.7905 -10.8813 22.8354 -13.3685 3.89834 TIMING: 3882400 CPU: 12268.5, 0.00319007/step Wall: 12268.5, 0.00319007/step, 0.990339 hours remaining, 236.195312 MB of memory in use. ENERGY: 3882400 4043.6803 20657.9901 14499.9527 250.3107 -203018.4716 2367.1906 0.0000 0.0000 52128.0310 -109071.3162 299.5805 -161199.3472 -108712.2563 300.2145 -210.9084 -180.5952 761784.8260 20.7976 20.9447 PRESSURE: 3882600 -45.8636 69.1463 -33.2542 69.1467 -100.36 115.44 -33.2536 115.441 279.971 GPRESSURE: 3882600 -85.3504 68.5992 -36.8091 111.69 41.0712 154.766 -39.3492 -3.38424 256.827 PRESSAVG: 3882600 -62.6873 -59.6753 -36.6708 -59.6754 66.0089 -13.1251 -36.6707 -13.125 28.4029 GPRESSAVG: 3882600 -61.9053 -59.3074 -35.1676 -60.5386 64.9942 -13.1269 -37.0496 -10.1887 28.2339 TIMING: 3882600 CPU: 12269.2, 0.00316382/step Wall: 12269.2, 0.00316382/step, 0.982014 hours remaining, 236.195312 MB of memory in use. ENERGY: 3882600 3972.3780 20576.2945 14585.8982 247.4078 -203192.3067 2541.7237 0.0000 0.0000 52077.2245 -109191.3800 299.2885 -161268.6045 -108817.5084 299.9611 44.5825 70.8492 760368.1363 10.5748 10.4409 PRESSURE: 3882800 -63.2909 96.3058 -0.529589 96.3061 -279.738 123.203 -0.529712 123.203 -310.968 GPRESSURE: 3882800 -78.9806 20.0604 -72.889 66.9635 -244.47 81.0706 -30.5725 153.923 -238.373 PRESSAVG: 3882800 15.1438 31.6514 -37.3245 31.6514 14.2372 29.597 -37.3244 29.597 -15.4512 GPRESSAVG: 3882800 14.1715 29.8398 -37.7413 31.9632 14.7195 27.3789 -38.0244 29.2626 -14.8883 TIMING: 3882800 CPU: 12269.8, 0.00316752/step Wall: 12269.8, 0.00316752/step, 0.982986 hours remaining, 236.195312 MB of memory in use. ENERGY: 3882800 3887.7532 20647.1814 14561.6314 275.4840 -203310.9184 2492.1434 0.0000 0.0000 52267.1354 -109179.5895 300.3799 -161446.7249 -108807.2274 300.2381 -217.9988 -187.2746 759983.4091 4.6432 4.6676 PRESSURE: 3883000 -187.386 228.323 193.964 228.323 219.88 6.84709 193.964 6.84647 -20.7227 GPRESSURE: 3883000 -84.4448 220.388 121.078 187.888 214.297 49.5781 71.4923 23.5308 -22.396 PRESSAVG: 3883000 -65.196 22.1175 -77.9624 22.1175 18.8829 21.3638 -77.9625 21.3638 -18.0612 GPRESSAVG: 3883000 -64.5761 22.9093 -79.0021 21.6689 18.7263 23.3047 -77.0335 19.3493 -18.182 TIMING: 3883000 CPU: 12270.4, 0.00315956/step Wall: 12270.4, 0.00315956/step, 0.980342 hours remaining, 236.195312 MB of memory in use. ENERGY: 3883000 4002.7055 20645.0324 14465.3588 249.6248 -203787.9496 2845.1089 0.0000 0.0000 52441.4131 -109138.7062 301.3815 -161580.1193 -108777.8813 300.5985 3.9238 35.8188 759555.3319 -21.4581 -21.3439 PRESSURE: 3883200 -308.185 -126.925 -64.696 -126.925 -201.624 -101.599 -64.6957 -101.6 123.114 GPRESSURE: 3883200 -340.007 17.0723 -47.6771 18.9996 -86.4194 -131.866 -42.6054 -178.207 112.453 PRESSAVG: 3883200 -62.6056 31.7624 18.6933 31.7624 45.4366 1.90486 18.6932 1.9048 1.77789 GPRESSAVG: 3883200 -61.4574 32.2475 19.7761 34.5961 45.422 1.58154 19.0761 3.30627 0.776356 TIMING: 3883200 CPU: 12271.1, 0.00315953/step Wall: 12271.1, 0.00315953/step, 0.980156 hours remaining, 236.253906 MB of memory in use. ENERGY: 3883200 4000.1880 20689.5088 14616.3757 264.9719 -204106.5189 2909.9676 0.0000 0.0000 52573.9075 -109051.5994 302.1430 -161625.5069 -108691.3933 300.3970 -128.8981 -104.6579 760666.9273 -5.1304 -5.0863 PRESSURE: 3883400 299.405 115.697 196.126 115.697 -87.4834 -107.344 196.126 -107.342 -141.094 GPRESSURE: 3883400 333.186 81.9622 257.988 93.1318 -60.6242 -50.1872 241.945 -194.642 -104.879 PRESSAVG: 3883400 -6.65485 -5.77639 -25.947 -5.77639 -6.72386 -43.2667 -25.9471 -43.2667 -0.707358 GPRESSAVG: 3883400 -6.72687 -6.71592 -26.3887 -8.59193 -6.68358 -41.4314 -25.1477 -45.4291 -0.78169 TIMING: 3883400 CPU: 12271.7, 0.00316379/step Wall: 12271.7, 0.00316379/step, 0.981304 hours remaining, 236.253906 MB of memory in use. ENERGY: 3883400 3995.5584 20652.3909 14488.5326 244.3098 -203778.7858 2835.7954 0.0000 0.0000 52229.6378 -109332.5610 300.1644 -161562.1988 -108967.8061 300.3815 23.6091 55.8944 762931.3387 -4.6954 -4.7307 PRESSURE: 3883600 -636.861 -279.296 129.06 -279.296 -163.355 -153.107 129.06 -153.107 -159.624 GPRESSURE: 3883600 -615.787 -232.467 150.572 -135.064 -138.706 -148.549 174.957 -46.2556 -131.53 PRESSAVG: 3883600 41.2499 30.9416 42.9265 30.9416 -72.8962 10.722 42.9265 10.7221 -3.49063 GPRESSAVG: 3883600 41.9036 32.9274 42.8561 31.643 -74.5686 7.83242 42.6354 12.6623 -2.53396 TIMING: 3883600 CPU: 12272.3, 0.00316254/step Wall: 12272.3, 0.00316254/step, 0.980738 hours remaining, 236.253906 MB of memory in use. ENERGY: 3883600 4051.4915 20591.9901 14597.0278 257.5606 -203311.2389 2558.3067 0.0000 0.0000 52052.0291 -109202.8331 299.1437 -161254.8622 -108839.5532 299.9200 -319.9466 -295.3411 762935.1758 -11.7123 -11.7330 PRESSURE: 3883800 -152.583 -60.212 -33.0327 -60.2117 -51.3692 84.9275 -33.0331 84.9265 320.989 GPRESSURE: 3883800 -159.466 -164.003 10.6399 23.9983 -11.1329 47.3324 -139.382 206.263 360.177 PRESSAVG: 3883800 29.4105 27.2022 -44.8719 27.2022 -21.2629 0.635707 -44.8719 0.635767 -12.772 GPRESSAVG: 3883800 28.288 25.0895 -45.8648 27.3572 -20.2301 1.05474 -47.8243 0.176142 -12.8643 TIMING: 3883800 CPU: 12272.9, 0.00315179/step Wall: 12272.9, 0.00315179/step, 0.977229 hours remaining, 236.253906 MB of memory in use. ENERGY: 3883800 3871.7057 20689.4965 14554.7902 243.2226 -203267.6069 2619.9315 0.0000 0.0000 52023.0888 -109265.3715 298.9774 -161288.4603 -108898.8075 300.1568 39.0122 63.1929 761425.2662 -1.5415 -1.6021 PRESSURE: 3884000 -202.622 169.343 -189.687 169.344 426.299 6.02292 -189.687 6.02437 -266.124 GPRESSURE: 3884000 -168.504 121.538 -196.753 169.792 426.064 30.0021 -101.234 -63.3373 -213.517 PRESSAVG: 3884000 -42.4484 30.0626 -30.491 30.0626 60.8478 -0.528089 -30.491 -0.528031 23.9769 GPRESSAVG: 3884000 -42.4937 31.2786 -29.34 28.5984 62.3298 -1.5211 -30.6434 0.430171 22.4573 TIMING: 3884000 CPU: 12273.6, 0.00315925/step Wall: 12273.6, 0.00315925/step, 0.979366 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: 3884000 4043.2853 20555.5834 14580.8076 260.6234 -203465.3344 2641.7545 0.0000 0.0000 51991.6527 -109391.6275 298.7967 -161383.2803 -109033.1409 299.4952 -14.1489 14.6811 761696.8172 14.1254 14.0978 PRESSURE: 3884200 26.9767 -265.199 9.70834 -265.199 -150.031 51.4024 9.70753 51.4018 -72.1582 GPRESSURE: 3884200 89.1471 -301.124 55.2153 -248.234 -166.215 3.86451 -104.572 -56.5837 -25.9318 PRESSAVG: 3884200 -40.0984 20.2737 1.28076 20.2737 45.4561 -4.98054 1.28074 -4.98053 -13.0713 GPRESSAVG: 3884200 -39.9254 17.9196 1.4926 22.5608 43.7615 -4.91648 1.30133 -7.39443 -11.5864 TIMING: 3884200 CPU: 12274.2, 0.00316715/step Wall: 12274.2, 0.00316715/step, 0.981641 hours remaining, 236.253906 MB of memory in use. ENERGY: 3884200 3995.8795 20484.8080 14561.9457 236.3341 -203698.8409 2959.7179 0.0000 0.0000 52009.3844 -109450.7713 298.8986 -161460.1557 -109091.1262 299.5565 -65.0707 -34.3331 762308.4169 -2.5712 -2.5834 LDB: ============= START OF LOAD BALANCING ============== 12286.7 LDB: ============== END OF LOAD BALANCING =============== 12286.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12286.7 LDB: ============= START OF LOAD BALANCING ============== 12287.1 LDB: Largest compute 7066 load 0.032629 is 16.7% of average load 0.195624 LDB: Average compute 0.004365 is 2.2% of average load 0.195624 LDB: TIME 12287.1 LOAD: AVG 0.195624 MAX 0.212571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 12287.1 LOAD: AVG 0.195624 MAX 0.212571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 12287.1 LOAD: AVG 0.195624 MAX 0.212571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 12287.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12287.1 PRESSURE: 3884400 -87.3697 37.7573 108.428 37.7572 61.2565 -23.8647 108.426 -23.8641 95.976 GPRESSURE: 3884400 -105.296 103.022 140.506 -29.7515 74.531 31.6474 110.953 -83.0946 186.654 PRESSAVG: 3884400 -38.725 16.606 24.5202 16.606 54.3983 2.71457 24.5203 2.71448 -14.2744 GPRESSAVG: 3884400 -38.6042 20.0608 23.0663 14.9071 54.3446 4.67439 25.1449 2.22536 -14.6033 TIMING: 3884400 CPU: 12274.9, 0.00323199/step Wall: 12274.9, 0.00323199/step, 1.00156 hours remaining, 235.910156 MB of memory in use. ENERGY: 3884400 3946.9532 20637.3170 14547.8843 247.8978 -203614.5010 2889.1312 0.0000 0.0000 51941.4355 -109403.8821 298.5081 -161345.3176 -109036.6058 299.9017 23.2876 51.9630 761968.0040 0.4663 0.3790 PRESSURE: 3884600 -47.9781 233.086 60.6911 233.087 67.9765 186.593 60.6911 186.594 346.836 GPRESSURE: 3884600 -3.47548 207.952 57.2326 205.888 143.783 156.437 10.7803 162.239 293.077 PRESSAVG: 3884600 -40.292 0.0498758 18.0887 0.0498458 37.515 8.55263 18.0887 8.5526 21.5336 GPRESSAVG: 3884600 -40.2406 -1.21109 18.5275 2.73199 37.5439 9.61443 19.5561 7.82126 21.2266 TIMING: 3884600 CPU: 12275.5, 0.00315479/step Wall: 12275.5, 0.0031548/step, 0.977461 hours remaining, 236.113281 MB of memory in use. ENERGY: 3884600 3988.9579 20642.3521 14501.5569 246.3276 -203390.9416 2641.7639 0.0000 0.0000 52228.4276 -109141.5555 300.1575 -161369.9831 -108771.1375 299.4746 122.2780 144.4616 761467.7501 6.2522 6.1766 PRESSURE: 3884800 167.914 -31.8206 -15.6744 -31.8212 319.095 307.744 -15.6745 307.743 -32.5127 GPRESSURE: 3884800 258.82 -117.876 8.15147 -154.426 349.681 196.007 -71.1837 346.478 -79.7829 PRESSAVG: 3884800 -23.7505 30.1726 15.4709 30.1725 26.4944 -26.6745 15.4709 -26.6746 -11.6279 GPRESSAVG: 3884800 -23.7809 27.5474 16.3147 29.4951 27.6116 -28.1696 13.901 -23.7507 -12.232 TIMING: 3884800 CPU: 12276.1, 0.00316828/step Wall: 12276.1, 0.00316828/step, 0.981463 hours remaining, 236.183594 MB of memory in use. ENERGY: 3884800 3990.6612 20604.4588 14489.8306 251.8261 -203341.8754 2824.6276 0.0000 0.0000 52150.9025 -109029.5687 299.7120 -161180.4712 -108665.3027 299.9522 151.4988 176.2393 762336.9942 -2.9613 -2.8004 PRESSURE: 3885000 73.858 85.9442 -73.4076 85.9445 397.537 105.619 -73.4076 105.62 -28.0964 GPRESSURE: 3885000 94.2187 20.6086 -39.8173 54.1516 445.596 84.3043 -71.6758 119.425 -3.26251 PRESSAVG: 3885000 -40.044 16.8719 -3.23669 16.8719 67.4384 33.8576 -3.23672 33.8576 -20.3909 GPRESSAVG: 3885000 -38.8687 17.4571 -4.50462 16.3763 66.4509 32.1183 -2.26855 31.2609 -20.1719 TIMING: 3885000 CPU: 12276.8, 0.00317505/step Wall: 12276.8, 0.00317505/step, 0.983383 hours remaining, 236.183594 MB of memory in use. ENERGY: 3885000 3989.4094 20480.6081 14526.6000 252.2814 -203219.7041 2829.7818 0.0000 0.0000 52277.1445 -108863.8789 300.4375 -161141.0234 -108498.1793 300.5287 147.7660 178.8508 763121.9357 2.3345 2.4701 PRESSURE: 3885200 187.846 -217.647 -94.8093 -217.647 19.1935 5.09644 -94.8096 5.09616 185.734 GPRESSURE: 3885200 218.235 -216.046 -43.0386 -194.864 41.7908 -41.9956 -48.0137 0.728831 215.861 PRESSAVG: 3885200 4.81562 22.2367 2.63721 22.2367 -9.33162 -28.0198 2.63725 -28.0198 -14.657 GPRESSAVG: 3885200 5.27415 22.2007 3.75609 23.2136 -10.108 -27.7074 3.5497 -26.8594 -14.9032 TIMING: 3885200 CPU: 12277.4, 0.00316737/step Wall: 12277.4, 0.00316737/step, 0.980828 hours remaining, 236.183594 MB of memory in use. ENERGY: 3885200 4020.4272 20634.2616 14524.6185 247.1046 -203047.1706 2445.5712 0.0000 0.0000 52255.2689 -108919.9186 300.3117 -161175.1875 -108547.5730 300.4958 130.9243 158.6288 762831.4231 -6.3910 -6.5790 PRESSURE: 3885400 -111.709 48.7482 -96.4366 48.7483 8.71109 -11.513 -96.4364 -11.5128 -115.214 GPRESSURE: 3885400 -77.1342 -22.842 -67.1514 -25.6753 33.7019 -18.6949 -182.074 -23.368 -91.8819 PRESSAVG: 3885400 -39.7717 -0.0214531 16.916 -0.0213984 39.2204 -2.28623 16.9161 -2.28624 -9.93081 GPRESSAVG: 3885400 -40.9263 -1.28982 15.1603 -0.0625784 39.7205 -2.51737 16.4591 -2.05934 -9.3466 TIMING: 3885400 CPU: 12278, 0.00317379/step Wall: 12278, 0.00317379/step, 0.982642 hours remaining, 236.250000 MB of memory in use. ENERGY: 3885400 3910.7130 20714.6863 14470.8895 242.4517 -203397.1434 2731.8229 0.0000 0.0000 52252.8132 -109073.7667 300.2976 -161326.5799 -108712.2186 300.2623 -72.7374 -45.1047 762843.0747 -3.4940 -3.5175 PRESSURE: 3885600 -136.74 -238.545 -119.45 -238.544 -30.0581 -2.96704 -119.45 -2.96697 635.724 GPRESSURE: 3885600 -59.2119 -375.345 -51.3725 -211.311 23.5369 36.2329 -100.995 -60.6639 608.375 PRESSAVG: 3885600 -56.3226 -6.29373 -78.2559 -6.29371 53.2224 -15.5318 -78.256 -15.5318 31.4257 GPRESSAVG: 3885600 -55.7387 -3.35848 -76.6742 -9.55442 53.1569 -14.3683 -76.669 -15.9146 30.7286 TIMING: 3885600 CPU: 12278.7, 0.0031659/step Wall: 12278.7, 0.0031659/step, 0.980021 hours remaining, 236.250000 MB of memory in use. ENERGY: 3885600 4002.8548 20516.2377 14479.2403 256.1031 -203167.0750 2770.3401 0.0000 0.0000 52102.0885 -109040.2104 299.4314 -161142.2990 -108677.5446 300.0935 156.3085 190.9000 762473.5384 9.4418 9.3823 PRESSURE: 3885800 231.998 311.229 96.528 311.229 -78.5208 65.0568 96.5278 65.0556 -135.865 GPRESSURE: 3885800 217.374 383.324 1.85407 301.603 19.2982 83.3437 29.9568 75.4741 -117.748 PRESSAVG: 3885800 -20.7284 4.24242 -51.0969 4.24245 57.6668 -22.8204 -51.0969 -22.8204 -26.4451 GPRESSAVG: 3885800 -21.4303 3.6535 -52.2992 4.26165 58.3739 -21.6413 -51.9444 -22.5473 -26.9408 TIMING: 3885800 CPU: 12279.3, 0.00315294/step Wall: 12279.3, 0.00315294/step, 0.975836 hours remaining, 236.250000 MB of memory in use. ENERGY: 3885800 4072.5377 20573.5906 14473.6400 251.8166 -203400.8689 2747.1895 0.0000 0.0000 52278.7477 -109003.3468 300.4467 -161282.0945 -108639.8151 300.5569 5.8708 39.6414 760497.2027 3.4978 3.3343 PRESSURE: 3886000 69.5598 -55.0997 -107.421 -55.1001 193.818 89.588 -107.421 89.5884 -257.085 GPRESSURE: 3886000 100.388 6.25372 -79.5009 -6.05244 167.514 206.606 -42.4603 78.5466 -164.433 PRESSAVG: 3886000 -16.6158 4.4002 -21.1106 4.40024 25.9202 -35.9196 -21.1105 -35.9196 -9.03408 GPRESSAVG: 3886000 -15.0357 3.027 -19.9863 6.65135 25.3607 -36.546 -21.0342 -36.3942 -9.97202 TIMING: 3886000 CPU: 12279.9, 0.00315459/step Wall: 12279.9, 0.00315459/step, 0.976169 hours remaining, 236.250000 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: 3886000 4043.2284 20488.8202 14408.8172 242.5199 -202945.4095 2361.2108 0.0000 0.0000 52144.7759 -109256.0371 299.6767 -161400.8130 -108893.4562 300.2327 2.0975 34.4899 762024.4753 0.0901 0.1176 PRESSURE: 3886200 -107.842 -107.605 -107.873 -107.605 45.1337 73.8156 -107.873 73.814 -73.3096 GPRESSURE: 3886200 -96.4104 -167.732 -117.723 -53.5215 127.562 87.4013 -215.413 20.32 -106.014 PRESSAVG: 3886200 -10.6508 27.8204 1.41152 27.8205 8.39141 -4.66164 1.41156 -4.66162 2.61777 GPRESSAVG: 3886200 -11.7577 31.0914 0.229166 25.9151 7.77869 -5.05139 2.32935 -4.29058 3.97125 TIMING: 3886200 CPU: 12280.6, 0.00316358/step Wall: 12280.6, 0.00316358/step, 0.978775 hours remaining, 236.250000 MB of memory in use. ENERGY: 3886200 4055.8335 20581.7323 14441.2551 228.1170 -203178.8897 2701.4234 0.0000 0.0000 51961.4588 -109209.0697 298.6232 -161170.5284 -108847.7690 299.7472 -45.3393 -24.9543 762438.3107 0.1195 -0.0026 PRESSURE: 3886400 -132.953 -147.034 -3.71793 -147.035 97.5094 90.2621 -3.71834 90.2625 247.607 GPRESSURE: 3886400 -52.3607 -141.705 -30.4254 -150.807 140.331 125.397 -63.9385 22.6847 201.394 PRESSAVG: 3886400 -7.38818 -11.5887 6.47172 -11.5886 6.03388 0.732335 6.47173 0.732386 -3.94615 GPRESSAVG: 3886400 -7.78087 -12.2973 6.38195 -10.1394 6.42674 0.854318 5.10539 0.737998 -4.60636 TIMING: 3886400 CPU: 12281.2, 0.00318002/step Wall: 12281.2, 0.00318002/step, 0.983687 hours remaining, 236.250000 MB of memory in use. ENERGY: 3886400 3918.1619 20467.4710 14489.6844 244.2457 -203401.5993 2743.1900 0.0000 0.0000 51985.5060 -109553.3403 298.7614 -161538.8463 -109189.8000 299.2590 70.7210 96.4550 762260.3023 -1.7668 -1.9868 PRESSURE: 3886600 -98.6363 7.6924 -137.075 7.69164 92.4176 -46.1072 -137.076 -46.1072 -206.541 GPRESSURE: 3886600 -73.9291 24.2349 8.44441 -10.3058 82.4288 -21.0827 -231.232 -40.2536 -138.26 PRESSAVG: 3886600 22.5473 -4.5505 28.4998 -4.55048 -20.5216 -29.4837 28.4998 -29.4837 3.31454 GPRESSAVG: 3886600 22.915 -4.93231 29.6619 -4.07941 -21.1093 -30.2873 27.1725 -28.4985 3.93038 TIMING: 3886600 CPU: 12281.8, 0.00316312/step Wall: 12281.8, 0.00316312/step, 0.978282 hours remaining, 236.250000 MB of memory in use. ENERGY: 3886600 3921.1020 20480.8690 14517.0934 252.9373 -202879.6934 2342.1926 0.0000 0.0000 51908.8700 -109456.6290 298.3210 -161365.4991 -109098.6689 298.9008 -70.9199 -43.2534 762149.5686 1.7801 1.9120 PRESSURE: 3886800 -327.056 151.925 -158.332 151.925 -112.096 10.6876 -158.332 10.6875 -74.1465 GPRESSURE: 3886800 -222.573 98.7961 -140.503 145.082 -117.229 -28.5591 -155.608 6.67142 -65.5933 PRESSAVG: 3886800 -9.45137 20.1975 -38.4671 20.1975 -18.8998 -34.0061 -38.4671 -34.0062 10.0002 GPRESSAVG: 3886800 -9.17246 18.5721 -40.614 20.0581 -18.2823 -32.7996 -35.5931 -34.9066 9.94791 TIMING: 3886800 CPU: 12282.5, 0.00316964/step Wall: 12282.5, 0.00316964/step, 0.980123 hours remaining, 236.250000 MB of memory in use. ENERGY: 3886800 4055.7957 20453.6022 14495.5771 240.3115 -203263.4384 2468.3021 0.0000 0.0000 52070.9751 -109478.8748 299.2526 -161549.8499 -109127.9592 298.7112 -171.0998 -135.1320 761112.9250 -6.1170 -5.8356 PRESSURE: 3887000 50.5024 -325.239 49.1363 -325.239 -0.117739 22.222 49.1367 22.2211 365.778 GPRESSURE: 3887000 71.0184 -228.405 54.3674 -257.289 69.5692 -99.5148 -22.1784 46.717 389.694 PRESSAVG: 3887000 -7.03126 -47.8937 -40.099 -47.8937 19.3099 -34.0218 -40.099 -34.0217 -19.1472 GPRESSAVG: 3887000 -6.40803 -47.2013 -38.3322 -47.9898 19.3831 -34.5227 -40.1859 -33.7931 -19.7475 TIMING: 3887000 CPU: 12283.1, 0.00319104/step Wall: 12283.1, 0.00319104/step, 0.986563 hours remaining, 236.250000 MB of memory in use. ENERGY: 3887000 3963.9016 20369.3428 14526.1223 244.1296 -202722.4394 2234.3633 0.0000 0.0000 52013.7505 -109370.8292 298.9237 -161384.5797 -109006.1938 299.0073 138.7209 176.7604 761108.7379 -2.2895 -2.2575 PRESSURE: 3887200 -144.443 -17.8009 -342.923 -17.801 -352.626 -136.935 -342.922 -136.935 143.177 GPRESSURE: 3887200 -146.416 -8.41721 -276.469 -17.0593 -232.998 -98.8038 -387.975 -73.02 119.143 PRESSAVG: 3887200 -4.55947 -11.6711 10.0427 -11.6711 -27.9689 -52.1977 10.0428 -52.1979 -23.5732 GPRESSAVG: 3887200 -3.7065 -10.2036 9.15394 -13.9293 -28.6963 -51.6992 8.46211 -51.5684 -24.1265 TIMING: 3887200 CPU: 12283.7, 0.00318616/step Wall: 12283.7, 0.00318616/step, 0.984876 hours remaining, 236.250000 MB of memory in use. ENERGY: 3887200 3954.7995 20257.7661 14476.9586 246.0196 -203258.3318 2569.3174 0.0000 0.0000 51888.4916 -109864.9790 298.2039 -161753.4706 -109502.0987 298.6527 -117.9642 -86.7568 761945.0532 -18.7005 -18.8431 PRESSURE: 3887400 72.378 -127.007 -16.4004 -127.008 -41.2654 19.4657 -16.4001 19.4646 177.344 GPRESSURE: 3887400 111.501 -118.997 33.2483 -138.403 18.5202 6.9787 71.5548 154.309 174.051 PRESSAVG: 3887400 44.8149 1.01018 11.614 1.01022 -34.3773 29.0971 11.614 29.0971 -17.5578 GPRESSAVG: 3887400 44.4514 -0.855041 11.8123 0.872102 -35.4583 30.2714 13.59 26.604 -16.2122 TIMING: 3887400 CPU: 12284.4, 0.00317404/step Wall: 12284.4, 0.00317404/step, 0.980956 hours remaining, 236.250000 MB of memory in use. ENERGY: 3887400 4022.2289 20439.1022 14499.0584 248.6854 -203393.8683 2472.4686 0.0000 0.0000 51858.8050 -109853.5198 298.0333 -161712.3249 -109492.5932 297.8315 69.4855 101.3573 761358.8732 -2.3734 -2.4064 PRESSURE: 3887600 297.275 21.0204 27.3844 21.0205 48.1411 -144.644 27.3845 -144.644 -179.733 GPRESSURE: 3887600 238.955 -12.1436 -86.2466 122.375 134.629 -140.344 -12.1285 -162.016 -109.454 PRESSAVG: 3887600 40.494 -31.2345 -44.3036 -31.2345 -13.4733 -25.443 -44.3036 -25.4429 7.20176 GPRESSAVG: 3887600 39.0948 -32.0521 -42.7096 -30.8594 -13.2278 -27.864 -47.1445 -23.5974 8.03104 TIMING: 3887600 CPU: 12285, 0.0031837/step Wall: 12285, 0.0031837/step, 0.983764 hours remaining, 236.250000 MB of memory in use. ENERGY: 3887600 3887.0538 20500.6868 14486.3959 245.5321 -203807.5327 2822.9770 0.0000 0.0000 52070.1122 -109794.7750 299.2477 -161864.8872 -109446.2159 298.2316 55.2276 88.0432 759161.0780 11.4075 11.2993 PRESSURE: 3887800 -15.4328 29.5313 -216.476 29.5315 -142.611 138.918 -216.475 138.918 -17.0915 GPRESSURE: 3887800 -113.384 -26.015 -176.927 36.5209 4.11542 75.3207 -106.105 125.663 24.7597 PRESSAVG: 3887800 25.4549 -41.6545 28.6205 -41.6545 -9.45682 6.44752 28.6205 6.44756 -34.2788 GPRESSAVG: 3887800 24.4642 -40.0275 26.7688 -40.7736 -8.60957 7.472 30.7797 3.86641 -34.3122 TIMING: 3887800 CPU: 12285.6, 0.00317282/step Wall: 12285.6, 0.00317282/step, 0.980225 hours remaining, 236.250000 MB of memory in use. ENERGY: 3887800 3994.4970 20444.4157 14557.6496 240.9403 -203326.7954 2454.2391 0.0000 0.0000 51922.8223 -109712.2314 298.4012 -161635.0537 -109355.8788 298.2369 -58.3783 -28.1697 761191.5816 -6.0936 -6.1525 PRESSURE: 3888000 -237.348 -326.123 -3.81217 -326.124 -75.6542 -139.996 -3.81178 -139.996 143.214 GPRESSURE: 3888000 -186.463 -314.688 106.253 -324.91 -38.4213 -101.362 22.4252 -113.916 128.064 PRESSAVG: 3888000 13.259 -39.1211 28.6437 -39.1211 6.5102 -31.0751 28.6437 -31.0751 1.43257 GPRESSAVG: 3888000 15.1346 -39.0383 29.4631 -40.6694 6.11199 -30.515 29.1134 -30.3979 -0.112842 TIMING: 3888000 CPU: 12286.3, 0.00318862/step Wall: 12286.3, 0.00318862/step, 0.984928 hours remaining, 236.250000 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: 3888000 3902.7690 20491.9808 14435.2466 237.7455 -203425.3953 2609.2869 0.0000 0.0000 51883.5723 -109864.7942 298.1756 -161748.3665 -109496.4250 298.9283 -56.5962 -32.2734 760355.9549 7.0673 7.0446 PRESSURE: 3888200 -118.362 88.5178 78.7306 88.517 2.87297 -200.035 78.7308 -200.035 146.268 GPRESSURE: 3888200 16.0769 110.207 91.8874 111.056 -25.2332 -274.715 108.565 -193.207 126.958 PRESSAVG: 3888200 9.05366 -38.201 -14.5945 -38.2011 9.52173 -24.7855 -14.5945 -24.7855 -8.32285 GPRESSAVG: 3888200 7.16735 -38.409 -13.16 -36.3937 10.7918 -25.5591 -15.3969 -21.7834 -8.08265 TIMING: 3888200 CPU: 12286.9, 0.00318984/step Wall: 12286.9, 0.00318984/step, 0.985128 hours remaining, 236.250000 MB of memory in use. ENERGY: 3888200 3951.7799 20530.7708 14444.3861 249.7760 -203352.7132 2720.5275 0.0000 0.0000 51810.2882 -109645.1847 297.7544 -161455.4729 -109282.4879 298.3378 10.2597 39.2673 760051.3645 3.4175 3.2922 LDB: ============= START OF LOAD BALANCING ============== 12299.5 LDB: ============== END OF LOAD BALANCING =============== 12299.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12299.5 LDB: ============= START OF LOAD BALANCING ============== 12299.8 LDB: Largest compute 7075 load 0.032000 is 16.4% of average load 0.195551 LDB: Average compute 0.004383 is 2.2% of average load 0.195551 LDB: TIME 12299.8 LOAD: AVG 0.195551 MAX 0.21223 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 12299.8 LOAD: AVG 0.195551 MAX 0.21223 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: TIME 12299.8 LOAD: AVG 0.195551 MAX 0.21223 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: ============== END OF LOAD BALANCING =============== 12299.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12299.8 PRESSURE: 3888400 29.2394 145.301 -79.8256 145.301 -68.9411 80.0863 -79.825 80.0859 192.96 GPRESSURE: 3888400 83.6246 107.115 -95.3324 191.4 -0.497187 -26.3883 -102.69 54.2163 162.742 PRESSAVG: 3888400 34.7892 -24.6983 -0.667949 -24.6983 -22.6146 -12.9997 -0.667926 -12.9997 -4.55907 GPRESSAVG: 3888400 35.4856 -26.7929 -1.09639 -25.101 -23.8923 -13.4748 -2.4507 -14.5017 -4.43293 TIMING: 3888400 CPU: 12287.6, 0.00324249/step Wall: 12287.6, 0.00324249/step, 1.00121 hours remaining, 235.394531 MB of memory in use. ENERGY: 3888400 3997.6180 20346.0470 14443.2022 234.1773 -202908.2823 2360.2383 0.0000 0.0000 51940.2468 -109586.7527 298.5013 -161526.9995 -109222.2130 298.5960 51.0861 81.9566 760857.8262 2.5385 2.3868 PRESSURE: 3888600 366.63 2.4228 -303.473 2.42199 119.308 65.9481 -303.473 65.9479 366.138 GPRESSURE: 3888600 378.156 -78.2872 -266.229 4.41065 225.246 -64.5026 -166.895 78.1091 346.235 PRESSAVG: 3888600 -17.225 -3.54544 -26.0546 -3.54544 24.4214 8.46004 -26.0547 8.45996 2.01412 GPRESSAVG: 3888600 -17.5127 -2.29319 -27.3744 -2.80871 26.0072 10.1238 -23.8644 6.38564 1.00429 TIMING: 3888600 CPU: 12288.2, 0.00317586/step Wall: 12288.2, 0.00317586/step, 0.980458 hours remaining, 235.484375 MB of memory in use. ENERGY: 3888600 4014.2095 20612.3995 14420.7283 246.0608 -203480.6296 2914.3954 0.0000 0.0000 51995.5314 -109277.3046 298.8190 -161272.8361 -108920.3395 299.5798 284.0253 316.5457 761398.4825 3.0702 3.1663 PRESSURE: 3888800 152.647 37.4697 74.6539 37.4695 -27.0632 177.564 74.656 177.564 363.189 GPRESSURE: 3888800 269.172 28.0311 59.4731 24.1461 -34.3926 156.594 41.0323 197.697 337.015 PRESSAVG: 3888800 -42.7421 -49.9243 -11.5493 -49.9243 -9.69284 -26.3973 -11.5493 -26.3973 -26.2488 GPRESSAVG: 3888800 -41.8828 -49.5704 -11.2227 -51.3649 -11.2698 -26.7626 -10.9203 -24.9742 -26.0286 TIMING: 3888800 CPU: 12288.8, 0.0031767/step Wall: 12288.8, 0.0031767/step, 0.98054 hours remaining, 235.722656 MB of memory in use. ENERGY: 3888800 3935.1689 20649.3969 14430.6598 229.4685 -203307.1645 2579.3215 0.0000 0.0000 52145.8122 -109337.3366 299.6827 -161483.1488 -108970.5810 299.2629 162.9243 190.5981 760517.6497 -26.2279 -26.3937 PRESSURE: 3889000 284.905 -0.0111554 -192.817 -0.0112499 98.3453 -65.499 -192.817 -65.4984 142.128 GPRESSURE: 3889000 306.176 -3.34423 -257.989 -14.925 210.186 -12.165 -255.165 -74.1682 85.2432 PRESSAVG: 3889000 30.7815 19.0269 -25.9794 19.027 -45.3045 -47.0078 -25.9795 -47.0078 4.0832 GPRESSAVG: 3889000 30.6839 20.3642 -26.1025 18.9457 -44.279 -46.0069 -29.0647 -49.0241 2.4185 TIMING: 3889000 CPU: 12289.5, 0.00316645/step Wall: 12289.5, 0.00316645/step, 0.977201 hours remaining, 235.722656 MB of memory in use. ENERGY: 3889000 3962.9710 20425.7083 14525.3117 241.8166 -203124.7495 2589.9412 0.0000 0.0000 52005.8015 -109373.1993 298.8781 -161379.0007 -109001.9595 299.0450 175.1261 200.5352 760690.5038 -3.4799 -3.7256 PRESSURE: 3889200 -329.171 79.1523 243.311 79.1537 -290.04 -160.19 243.311 -160.19 -363.009 GPRESSURE: 3889200 -327.94 -41.3035 305.638 88.6739 -248.026 -133.606 192.224 -177.516 -303.836 PRESSAVG: 3889200 -8.71736 48.3458 -7.30751 48.3458 -28.1212 -72.2045 -7.30757 -72.2044 18.9646 GPRESSAVG: 3889200 -10.9057 46.1099 -6.00096 47.2496 -27.7508 -72.5658 -3.605 -69.5074 20.6321 TIMING: 3889200 CPU: 12290.1, 0.00316094/step Wall: 12290.1, 0.00316094/step, 0.975326 hours remaining, 235.722656 MB of memory in use. ENERGY: 3889200 3973.2134 20537.9689 14419.9136 258.9445 -203089.3003 2690.8199 0.0000 0.0000 51878.9373 -109329.5026 298.1490 -161208.4399 -108977.4991 298.9939 -327.4065 -293.2674 761920.8776 -5.9580 -6.0081 PRESSURE: 3889400 142.927 95.2444 78.1646 95.244 275.277 -193.586 78.1641 -193.586 672.069 GPRESSURE: 3889400 191.28 115.972 49.3729 108.906 279.368 -201.014 140.599 -193.651 705.964 PRESSAVG: 3889400 44.6122 28.748 34.1461 28.748 4.55398 21.131 34.1462 21.1311 -8.41857 GPRESSAVG: 3889400 45.956 29.4834 33.689 29.4852 3.56577 19.6376 32.7634 20.2633 -8.54458 TIMING: 3889400 CPU: 12290.7, 0.00320328/step Wall: 12290.7, 0.00320328/step, 0.988212 hours remaining, 235.722656 MB of memory in use. ENERGY: 3889400 3962.3195 20520.9800 14421.6810 245.4633 -203966.1092 3077.1840 0.0000 0.0000 52142.0680 -109596.4133 299.6612 -161738.4813 -109230.4615 299.1682 363.4246 392.2041 761086.9831 13.5825 13.6591 PRESSURE: 3889600 -46.6264 81.6353 -259.471 81.6356 406.701 60.8168 -259.473 60.8166 -251.925 GPRESSURE: 3889600 81.1982 110.553 -260.875 134.531 342.721 25.0076 -108.197 147.887 -215.95 PRESSAVG: 3889600 33.7103 69.1775 23.0048 69.1775 -23.2957 -6.38296 23.0048 -6.38292 -15.3941 GPRESSAVG: 3889600 33.0889 67.3435 24.2501 70.3896 -22.9947 -5.39561 21.4944 -5.61069 -15.0427 TIMING: 3889600 CPU: 12291.4, 0.00318654/step Wall: 12291.4, 0.00318654/step, 0.982869 hours remaining, 235.722656 MB of memory in use. ENERGY: 3889600 3990.0824 20532.9180 14464.2189 252.2092 -203912.3002 3146.5021 0.0000 0.0000 51744.0395 -109782.3302 297.3737 -161526.3696 -109430.5413 298.5474 36.0501 69.3230 761072.6772 -1.6598 -1.6495 PRESSURE: 3889800 -67.7384 158.701 77.2258 158.701 -60.3399 82.7111 77.2255 82.711 -130.079 GPRESSURE: 3889800 15.1068 204.123 74.7458 125.296 -100.926 83.7809 -105.8 74.2874 -91.1526 PRESSAVG: 3889800 1.8686 52.2156 31.2979 52.2156 31.3712 -19.268 31.2978 -19.2681 13.2465 GPRESSAVG: 3889800 1.94877 53.067 31.1915 50.1342 31.4671 -18.7419 32.5805 -20.1639 13.0941 TIMING: 3889800 CPU: 12292, 0.00315531/step Wall: 12292, 0.00315531/step, 0.973063 hours remaining, 235.722656 MB of memory in use. ENERGY: 3889800 4019.8073 20480.2399 14471.4981 244.3646 -203742.6997 2762.7825 0.0000 0.0000 51773.9672 -109990.0402 297.5457 -161764.0074 -109633.2162 298.1273 -86.0523 -58.9906 761151.1710 15.4954 15.5033 PRESSURE: 3890000 -30.0047 -370.093 293.826 -370.093 -108.032 3.56449 293.827 3.56338 458.74 GPRESSURE: 3890000 86.8292 -228.757 227.915 -288.861 -64.0469 -38.3251 267.566 22.41 384.817 PRESSAVG: 3890000 42.5427 3.2846 33.7248 3.28458 -38.9841 -15.0216 33.7248 -15.0216 21.726 GPRESSAVG: 3890000 42.5153 4.92814 33.4754 4.40883 -38.4061 -15.6597 33.0042 -14.7715 20.6429 TIMING: 3890000 CPU: 12292.6, 0.00316632/step Wall: 12292.6, 0.00316632/step, 0.976282 hours remaining, 235.722656 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: 3890000 3953.0354 20417.2396 14448.8691 243.2298 -203292.3741 2531.3205 0.0000 0.0000 51713.2896 -109985.3901 297.1970 -161698.6797 -109610.7028 297.6157 106.9009 135.8665 763425.0832 8.4282 8.2507 PRESSURE: 3890200 -265.956 156.529 24.602 156.529 -10.196 56.0043 24.6022 56.0047 340.456 GPRESSURE: 3890200 -276.116 181.584 23.4021 71.721 93.2264 123.529 -13.325 46.2079 336.985 PRESSAVG: 3890200 3.0401 43.9444 3.34165 43.9444 24.3226 -32.2769 3.34158 -32.2768 -25.0977 GPRESSAVG: 3890200 3.79897 43.082 2.27476 44.544 23.957 -32.9661 3.98837 -31.0715 -25.8747 TIMING: 3890200 CPU: 12293.3, 0.00314707/step Wall: 12293.3, 0.00314706/step, 0.97017 hours remaining, 235.722656 MB of memory in use. ENERGY: 3890200 3991.6175 20355.3512 14476.8167 247.4274 -203936.6974 3044.2075 0.0000 0.0000 51755.8481 -110065.4290 297.4416 -161821.2771 -109709.4498 297.5750 21.4346 51.3651 761549.9935 0.7550 0.6271 PRESSURE: 3890400 -97.2416 -183.71 19.9052 -183.711 -69.7715 -225.768 19.9049 -225.768 -261.193 GPRESSURE: 3890400 -75.8518 -41.8551 162.639 -135.724 -100.396 -248.37 -57.6271 -247.34 -170.881 PRESSAVG: 3890400 41.9205 53.9555 -6.34567 53.9554 -18.6857 41.9904 -6.34561 41.9904 -6.33588 GPRESSAVG: 3890400 40.5231 56.3641 -5.07582 53.7875 -18.7849 40.7782 -6.69327 40.7261 -5.09767 TIMING: 3890400 CPU: 12293.9, 0.00316251/step Wall: 12293.9, 0.00316251/step, 0.974757 hours remaining, 235.722656 MB of memory in use. ENERGY: 3890400 3989.7682 20452.2971 14493.2122 253.0224 -203571.9130 2704.7698 0.0000 0.0000 51797.8433 -109880.9999 297.6829 -161678.8433 -109533.1366 297.7430 -142.7352 -115.7098 760679.5943 5.6330 5.5468 PRESSURE: 3890600 602.302 104.377 -153.447 104.376 229.026 42.967 -153.447 42.9663 589.286 GPRESSURE: 3890600 516.101 -7.66956 -71.3205 -0.46074 354.246 41.0707 -64.043 6.39356 635.294 PRESSAVG: 3890600 43.8022 32.2373 33.1711 32.2372 -12.2803 21.4822 33.1711 21.4822 19.9686 GPRESSAVG: 3890600 43.3652 29.764 32.6932 30.5978 -10.9442 21.9931 33.3746 19.7604 19.5554 TIMING: 3890600 CPU: 12294.5, 0.00317277/step Wall: 12294.5, 0.00317277/step, 0.977742 hours remaining, 235.722656 MB of memory in use. ENERGY: 3890600 3989.6155 20578.5915 14491.5531 249.2764 -204243.7320 3121.5964 0.0000 0.0000 51880.9561 -109932.1430 298.1606 -161813.0991 -109581.2138 298.1387 473.5381 501.8804 760159.1372 17.1635 17.3255 PRESSURE: 3890800 -20.6362 -110.11 209.449 -110.11 507.792 83.8555 209.448 83.8551 232.882 GPRESSURE: 3890800 104.339 -30.7528 216.323 -107.287 420.086 151.077 114.917 84.3453 255.404 PRESSAVG: 3890800 -13.3616 23.1319 29.559 23.1319 50.6978 51.0276 29.559 51.0277 -17.8011 GPRESSAVG: 3890800 -11.7711 23.1519 28.032 24.3508 48.8874 52.3795 30.2021 51.1701 -17.1555 TIMING: 3890800 CPU: 12295.2, 0.00318298/step Wall: 12295.2, 0.00318298/step, 0.980711 hours remaining, 235.722656 MB of memory in use. ENERGY: 3890800 4001.7093 20499.9407 14447.0367 250.0315 -203826.1843 2861.3584 0.0000 0.0000 51973.5938 -109792.5139 298.6930 -161766.1078 -109422.5111 298.5479 240.0125 259.9429 760439.1041 6.5117 6.6536 PRESSURE: 3891000 152.526 -83.7821 161.636 -83.7818 -112.191 -118.995 161.637 -118.995 191.96 GPRESSURE: 3891000 225.04 -58.8544 178.844 -107.989 -82.7578 -165.32 96.3983 -107.642 172.298 PRESSAVG: 3891000 28.9993 17.4575 19.7157 17.4576 -42.7249 2.98068 19.7157 2.9806 3.23541 GPRESSAVG: 3891000 28.1731 17.1273 19.5409 17.8042 -41.438 1.79385 18.0064 4.33669 3.1811 TIMING: 3891000 CPU: 12295.8, 0.00317689/step Wall: 12295.8, 0.0031769/step, 0.97866 hours remaining, 235.722656 MB of memory in use. ENERGY: 3891000 3905.2918 20740.4178 14463.0232 246.3043 -203402.9919 2650.2567 0.0000 0.0000 51645.5536 -109752.1446 296.8077 -161397.6982 -109397.6407 298.5877 77.4316 104.8600 761599.0053 -3.4967 -3.3613 PRESSURE: 3891200 -247.866 -64.2499 48.5175 -64.2494 -70.1112 -38.4287 48.5168 -38.4282 -91.1779 GPRESSURE: 3891200 -269.478 -15.6724 41.9904 -90.3449 41.9422 26.2966 249.716 -86.2973 -82.8917 PRESSAVG: 3891200 -10.1248 -8.81191 -14.7087 -8.81188 -2.36865 -48.3452 -14.7087 -48.3453 4.26148 GPRESSAVG: 3891200 -8.52642 -8.50105 -13.7386 -8.36119 -2.51752 -47.0719 -10.6769 -48.743 3.06749 TIMING: 3891200 CPU: 12296.4, 0.00318401/step Wall: 12296.4, 0.00318401/step, 0.980674 hours remaining, 235.722656 MB of memory in use. ENERGY: 3891200 3967.4864 20455.5708 14491.0094 243.1317 -203447.8019 2514.2418 0.0000 0.0000 52217.3842 -109558.9777 300.0940 -161776.3618 -109199.7703 299.0060 -136.3849 -103.4759 760347.8355 -2.7440 -2.6588 PRESSURE: 3891400 -124.317 -135.385 207.016 -135.385 -97.6464 -197.574 207.016 -197.574 -142.119 GPRESSURE: 3891400 72.3162 -132.302 133.526 -163.473 -177.567 -122.077 106.54 -39.0043 -151.694 PRESSAVG: 3891400 -54.2133 -49.8116 47.9186 -49.8116 42.8659 8.50064 47.9186 8.50068 -9.21515 GPRESSAVG: 3891400 -54.6252 -47.9142 46.6371 -51.1655 41.9971 8.50679 46.1761 5.69733 -8.37064 TIMING: 3891400 CPU: 12297.1, 0.00318316/step Wall: 12297.1, 0.00318316/step, 0.980237 hours remaining, 235.722656 MB of memory in use. ENERGY: 3891400 4020.7359 20581.7005 14452.0492 248.0352 -203084.0007 2399.7588 0.0000 0.0000 51892.6000 -109489.1211 298.2275 -161381.7211 -109129.7798 299.1870 -121.3610 -85.6482 760937.2409 -6.8542 -6.9996 PRESSURE: 3891600 199.673 -370.349 -48.2268 -370.349 68.7809 37.3317 -48.2273 37.3323 455.826 GPRESSURE: 3891600 202.333 -302.235 -58.3229 -421.576 108.839 51.2974 -45.294 -22.3392 496.495 PRESSAVG: 3891600 -6.64104 -12.8137 29.1861 -12.8137 -27.2432 -24.0862 29.1862 -24.0863 5.02854 GPRESSAVG: 3891600 -7.18166 -15.1823 30.5728 -11.9286 -27.191 -24.6688 28.6508 -22.3777 5.42426 TIMING: 3891600 CPU: 12297.7, 0.00317053/step Wall: 12297.7, 0.00317053/step, 0.976171 hours remaining, 235.722656 MB of memory in use. ENERGY: 3891600 3979.1719 20475.7530 14440.4656 244.1661 -202963.5966 2450.7566 0.0000 0.0000 51981.4681 -109391.8154 298.7382 -161373.2834 -109023.7485 299.0524 241.4265 269.2225 761678.1753 -9.6186 -9.6495 PRESSURE: 3891800 -25.5682 -1.26294 -52.1652 -1.26175 106.571 -280.959 -52.1654 -280.96 -127.791 GPRESSURE: 3891800 83.8637 -55.3008 17.642 -29.2708 39.9075 -329.956 -4.42423 -240.742 -77.3241 PRESSAVG: 3891800 32.3318 -21.043 49.9425 -21.043 -2.32361 -38.3404 49.9425 -38.3402 -3.60316 GPRESSAVG: 3891800 31.8382 -20.4778 50.0279 -21.8712 -1.77412 -39.8749 49.988 -39.2612 -3.19399 TIMING: 3891800 CPU: 12298.3, 0.00316122/step Wall: 12298.3, 0.00316122/step, 0.97313 hours remaining, 235.722656 MB of memory in use. ENERGY: 3891800 4024.2424 20632.0679 14441.0276 266.7364 -203273.9362 2519.1429 0.0000 0.0000 51823.1873 -109567.5318 297.8286 -161390.7191 -109210.1235 298.7755 -15.5958 15.4824 761240.1069 8.8017 8.9567 PRESSURE: 3892000 212.868 -311.485 -36.4419 -311.486 168.427 -172.388 -36.4425 -172.388 131.939 GPRESSURE: 3892000 207.836 -266.126 18.5668 -164.502 193.146 -131.463 62.9002 -90.6854 172.488 PRESSAVG: 3892000 -21.6979 3.32955 -6.34731 3.32955 40.7408 -20.5431 -6.34728 -20.543 -1.86759 GPRESSAVG: 3892000 -20.4597 4.88563 -6.8586 5.30158 40.3751 -19.9792 -7.08791 -19.7396 -2.49349 TIMING: 3892000 CPU: 12299, 0.00319508/step Wall: 12299, 0.00319508/step, 0.983375 hours remaining, 235.722656 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: 3892000 4002.6880 20666.6577 14483.3906 248.0957 -203887.2934 2815.7993 0.0000 0.0000 52063.7491 -109606.9131 299.2111 -161670.6621 -109238.9422 298.9636 171.0779 191.1566 758671.9509 5.7251 5.8073 PRESSURE: 3892200 126.691 -78.0857 23.3859 -78.0844 1.37017 -198.181 23.3848 -198.181 -192.694 GPRESSURE: 3892200 169.93 55.7621 -1.88677 -47.1532 -21.2788 -180.248 -21.8973 -108.775 -127.187 PRESSAVG: 3892200 14.0017 -27.6702 -47.0922 -27.6702 17.2177 -25.6137 -47.0922 -25.6137 -18.2005 GPRESSAVG: 3892200 13.5892 -28.3354 -46.5049 -28.8312 16.8643 -23.6642 -48.2077 -23.571 -17.7241 TIMING: 3892200 CPU: 12299.6, 0.00321433/step Wall: 12299.6, 0.00321433/step, 0.98912 hours remaining, 235.722656 MB of memory in use. ENERGY: 3892200 4006.9282 20681.8182 14528.0814 243.8535 -203395.2665 2239.3025 0.0000 0.0000 52108.1557 -109587.1269 299.4663 -161695.2826 -109233.4135 299.8200 -21.5445 7.1546 759597.4991 4.3396 4.2431 LDB: ============= START OF LOAD BALANCING ============== 12312.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12312.2 LDB: =============== DONE WITH MIGRATION ================ 12312.2 LDB: ============= START OF LOAD BALANCING ============== 12312.5 LDB: Largest compute 7076 load 0.033279 is 17.0% of average load 0.195630 LDB: Average compute 0.004364 is 2.2% of average load 0.195630 LDB: TIME 12312.5 LOAD: AVG 0.19563 MAX 0.213876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 12312.5 LOAD: AVG 0.19563 MAX 0.213876 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: TIME 12312.5 LOAD: AVG 0.19563 MAX 0.213876 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.199 MB LDB: ============== END OF LOAD BALANCING =============== 12312.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12312.5 PRESSURE: 3892400 -527.158 109.436 -190.09 109.436 -469.96 -30.735 -190.089 -30.7344 -200.229 GPRESSURE: 3892400 -487.863 122.275 -117.409 -2.57962 -353.488 -85.9441 -140.373 -102.702 -267.794 PRESSAVG: 3892400 -24.9984 24.3509 -37.8254 24.3508 26.7649 -37.1856 -37.8254 -37.1856 -24.2992 GPRESSAVG: 3892400 -24.964 23.7764 -39.3267 23.5079 27.3756 -39.3101 -36.2019 -39.5393 -24.6978 TIMING: 3892400 CPU: 12300.3, 0.00326883/step Wall: 12300.3, 0.00326883/step, 1.00571 hours remaining, 235.414062 MB of memory in use. ENERGY: 3892400 3969.7664 20550.8420 14425.0901 268.4521 -203334.4545 2225.4766 0.0000 0.0000 52187.9490 -109706.8783 299.9249 -161894.8273 -109333.1666 298.9885 -399.1157 -369.7151 760981.6714 -7.5109 -7.4287 PRESSURE: 3892600 186.729 146.344 181.494 146.345 17.5098 197.762 181.494 197.761 560.155 GPRESSURE: 3892600 180.27 112.501 206.778 198.719 99.8908 191.557 62.9817 182.969 582.724 PRESSAVG: 3892600 -4.12687 32.7587 5.23916 32.7587 27.6722 -42.5539 5.2392 -42.5539 13.365 GPRESSAVG: 3892600 -4.43695 33.1618 5.60963 35.2257 27.747 -42.5267 4.9406 -42.2227 13.3639 TIMING: 3892600 CPU: 12300.9, 0.00318794/step Wall: 12300.9, 0.00318794/step, 0.980644 hours remaining, 235.628906 MB of memory in use. ENERGY: 3892600 3947.2915 20459.8148 14405.3832 241.4198 -203711.4674 2780.8650 0.0000 0.0000 51977.0123 -109899.6809 298.7126 -161876.6931 -109530.3793 298.8028 254.7978 287.6282 761495.1818 12.3034 12.2247 PRESSURE: 3892800 18.8879 -116.7 138.472 -116.7 283.542 -76.8072 138.472 -76.8074 178.666 GPRESSURE: 3892800 144.032 -202.63 161.475 -71.3916 276.148 -55.9 40.1398 128.053 134.196 PRESSAVG: 3892800 -3.98745 12.3637 12.8613 12.3637 12.8984 6.553 12.8613 6.55292 1.903 GPRESSAVG: 3892800 -4.47514 10.8755 14.4282 11.568 12.2909 6.58784 12.8341 9.77182 2.53554 TIMING: 3892800 CPU: 12301.6, 0.00317876/step Wall: 12301.6, 0.00317876/step, 0.977644 hours remaining, 235.628906 MB of memory in use. ENERGY: 3892800 3959.1035 20487.5653 14427.4364 232.9893 -203824.5102 2757.8094 0.0000 0.0000 52122.1182 -109837.4881 299.5465 -161959.6062 -109469.4681 298.7337 160.3653 184.7921 762156.6362 3.6047 3.4504 PRESSURE: 3893000 72.3923 139.623 -286.337 139.622 -94.83 91.8444 -286.337 91.8449 -208.016 GPRESSURE: 3893000 84.8589 74.427 -315.192 85.3408 -20.198 92.2143 -102.833 68.1192 -195.449 PRESSAVG: 3893000 20.0246 35.2066 59.0275 35.2066 -38.6322 -8.60176 59.0275 -8.60171 16.7395 GPRESSAVG: 3893000 20.4969 35.3182 57.5918 35.4671 -37.7694 -9.31451 58.6271 -9.3765 15.5494 TIMING: 3893000 CPU: 12302.2, 0.00318386/step Wall: 12302.2, 0.00318386/step, 0.979037 hours remaining, 235.628906 MB of memory in use. ENERGY: 3893000 4049.8782 20485.4080 14368.3535 252.9770 -203976.5143 2802.3500 0.0000 0.0000 52044.2101 -109973.3376 299.0988 -162017.5477 -109605.2989 298.5956 -76.8180 -43.5961 761593.4074 -0.6227 -0.5744 PRESSURE: 3893200 460.712 25.2221 77.6755 25.2218 48.2594 -145.815 77.6754 -145.816 223.561 GPRESSURE: 3893200 439.894 49.8184 65.3418 55.2348 75.1945 -136.792 99.0544 -386.645 283.545 PRESSAVG: 3893200 36.0747 -22.9559 -13.4558 -22.9559 -12.9427 -23.1041 -13.4558 -23.1042 -13.6926 GPRESSAVG: 3893200 34.9597 -24.3676 -14.2985 -23.2224 -12.4859 -22.3856 -12.6925 -25.4067 -12.6705 TIMING: 3893200 CPU: 12302.8, 0.00317983/step Wall: 12302.8, 0.00317983/step, 0.977621 hours remaining, 235.628906 MB of memory in use. ENERGY: 3893200 3955.9380 20431.6634 14450.4651 259.7662 -203820.1200 2842.5146 0.0000 0.0000 51939.3258 -109940.4468 298.4960 -161879.7726 -109566.1356 298.3429 244.1776 266.2112 761626.0087 3.1465 3.2678 PRESSURE: 3893400 40.9929 -50.7605 -171.18 -50.7599 7.25319 118.964 -171.179 118.965 251.475 GPRESSURE: 3893400 74.3484 -70.6318 -100.16 -101.247 -36.9611 92.3243 -137.937 97.0946 352.669 PRESSAVG: 3893400 6.22949 -10.0956 -5.11739 -10.0955 -19.6308 -19.6115 -5.11737 -19.6115 -8.00316 GPRESSAVG: 3893400 6.14617 -8.44801 -2.70407 -10.8209 -20.1672 -19.3921 -5.3677 -20.1217 -7.71048 TIMING: 3893400 CPU: 12303.5, 0.00318925/step Wall: 12303.5, 0.00318925/step, 0.980339 hours remaining, 235.628906 MB of memory in use. ENERGY: 3893400 4037.4156 20477.1515 14530.5807 258.4611 -203474.9394 2732.5413 0.0000 0.0000 51722.2196 -109716.5695 297.2483 -161438.7891 -109364.3102 298.2771 99.9072 130.0188 762688.7358 -7.1348 -7.2439 PRESSURE: 3893600 221.835 69.1172 319.353 69.1171 -239.629 -46.1618 319.353 -46.1605 -161.491 GPRESSURE: 3893600 285.408 -22.945 230.986 79.9336 -209.021 -0.316862 256.675 3.61223 -179.676 PRESSAVG: 3893600 55.3567 -58.303 4.48027 -58.303 -41.1052 14.7157 4.48021 14.7158 2.58371 GPRESSAVG: 3893600 55.6037 -59.0386 1.64272 -58.168 -40.6275 14.7026 5.67471 16.1736 1.11992 TIMING: 3893600 CPU: 12304.1, 0.0032088/step Wall: 12304.1, 0.0032088/step, 0.986171 hours remaining, 235.628906 MB of memory in use. ENERGY: 3893600 4045.1345 20451.5771 14556.8166 257.2521 -203724.4309 2565.4514 0.0000 0.0000 52192.6681 -109655.5310 299.9520 -161848.1991 -109295.0626 299.0797 -59.7615 -34.4295 761895.2315 5.6118 5.3654 PRESSURE: 3893800 -54.5793 171.536 -92.4853 171.536 -316.219 -52.6318 -92.4845 -52.631 -60.3878 GPRESSURE: 3893800 -84.1308 183.231 -103.903 132.467 -225.847 -66.5965 -299.981 -57.6364 -41.5915 PRESSAVG: 3893800 46.9087 -42.5432 -26.3412 -42.5431 -32.6842 8.56032 -26.3411 8.56035 -23.5861 GPRESSAVG: 3893800 48.3584 -42.1036 -25.2424 -43.7992 -33.3404 9.43946 -26.1581 6.75386 -23.2135 TIMING: 3893800 CPU: 12304.8, 0.00320637/step Wall: 12304.8, 0.00320637/step, 0.985246 hours remaining, 235.628906 MB of memory in use. ENERGY: 3893800 4014.6076 20588.4175 14521.8015 230.9674 -203483.1414 2659.5320 0.0000 0.0000 51881.4361 -109586.3792 298.1633 -161467.8153 -109233.0395 298.5923 -143.7287 -117.1899 761615.9831 -3.1205 -2.7318 PRESSURE: 3894000 -37.338 -6.853 -59.7237 -6.85301 153.922 47.6896 -59.7239 47.6906 -362.365 GPRESSURE: 3894000 -32.2542 -123.752 -84.8266 -63.3908 109.787 60.7747 5.08474 -21.4064 -239.592 PRESSAVG: 3894000 -19.4331 28.6362 11.6993 28.6363 -4.14774 -77.0798 11.6993 -77.0798 7.51652 GPRESSAVG: 3894000 -19.9179 29.0463 12.3833 27.747 -3.14808 -77.2206 11.1777 -76.143 7.24446 TIMING: 3894000 CPU: 12305.4, 0.00318198/step Wall: 12305.4, 0.00318198/step, 0.977575 hours remaining, 235.628906 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: 3894000 3931.9271 20431.8201 14502.8695 239.0083 -203234.2084 2695.9935 0.0000 0.0000 51952.9161 -109479.6738 298.5741 -161432.5900 -109120.8416 299.1410 -81.9269 -54.0198 761135.9172 -5.3548 -5.2738 PRESSURE: 3894200 54.6196 250.952 -167.755 250.952 -111.026 -22.8989 -167.755 -22.8988 238.722 GPRESSURE: 3894200 39.3323 231.206 -144.501 314.972 11.3342 -68.7008 -243.566 -10.029 212.927 PRESSAVG: 3894200 15.4236 4.8486 9.88315 4.84864 3.76296 -19.208 9.88319 -19.2081 -8.6944 GPRESSAVG: 3894200 16.4752 3.81077 9.72924 5.23017 2.2755 -20.3101 10.7987 -19.3002 -8.06328 TIMING: 3894200 CPU: 12306, 0.00317386/step Wall: 12306, 0.00317386/step, 0.974905 hours remaining, 235.628906 MB of memory in use. ENERGY: 3894200 4058.9348 20479.6057 14438.2347 233.5236 -203071.6193 2490.1068 0.0000 0.0000 52063.6313 -109307.5825 299.2104 -161371.2138 -108946.8146 299.3788 60.7720 87.8644 762836.3467 3.4974 3.5625 PRESSURE: 3894400 2.01642 209.795 112.432 209.796 96.8303 -148.043 112.432 -148.043 365.569 GPRESSURE: 3894400 -1.71034 234.066 30.7598 157.538 146.969 -75.1399 111.542 -102.944 404.925 PRESSAVG: 3894400 40.9354 23.4969 -44.2597 23.4969 -13.1455 -0.970209 -44.2597 -0.97019 1.60564 GPRESSAVG: 3894400 39.9905 23.6338 -44.7992 24.9333 -11.8108 -0.709555 -43.5087 -0.686361 1.32014 TIMING: 3894400 CPU: 12306.7, 0.00317638/step Wall: 12306.7, 0.00317638/step, 0.975503 hours remaining, 235.628906 MB of memory in use. ENERGY: 3894400 4030.0227 20580.1937 14509.1523 266.3666 -203462.8590 2638.0761 0.0000 0.0000 52039.7695 -109399.2781 299.0733 -161439.0476 -109031.5039 299.7394 154.8051 183.3946 760840.3049 9.7985 9.8333 PRESSURE: 3894600 -424.915 -189.659 -90.3896 -189.659 -611.489 -43.9918 -90.389 -43.9919 -309.864 GPRESSURE: 3894600 -412.628 -330.401 -45.8391 -262.495 -452.822 24.8637 -191.223 -30.325 -374.435 PRESSAVG: 3894600 20.6431 22.5457 -26.4039 22.5455 -12.5788 -56.6392 -26.4039 -56.6392 -10.129 GPRESSAVG: 3894600 20.506 21.6118 -26.6541 23.0139 -12.05 -55.48 -27.8851 -57.695 -10.1072 TIMING: 3894600 CPU: 12307.3, 0.00317569/step Wall: 12307.3, 0.00317569/step, 0.975113 hours remaining, 235.628906 MB of memory in use. ENERGY: 3894600 4008.0225 20554.1510 14484.4302 240.7231 -203023.6231 2159.6948 0.0000 0.0000 52084.2694 -109492.3322 299.3290 -161576.6016 -109127.8962 299.4791 -448.7559 -413.2952 762441.6518 -0.6882 -0.5504 PRESSURE: 3894800 57.5664 -20.8509 -37.5823 -20.8508 -465.217 139.794 -37.5826 139.793 20.9005 GPRESSURE: 3894800 70.6564 26.7354 -49.587 138.847 -367.136 154.938 -54.0501 99.7769 -8.80211 PRESSAVG: 3894800 66.5457 7.6067 21.9211 7.60673 -66.9612 -11.9969 21.9211 -11.997 -11.0894 GPRESSAVG: 3894800 66.307 7.51 22.3146 7.83397 -67.3868 -12.9318 21.6914 -13.0498 -10.6365 TIMING: 3894800 CPU: 12307.9, 0.00316644/step Wall: 12307.9, 0.00316644/step, 0.972098 hours remaining, 235.628906 MB of memory in use. ENERGY: 3894800 4008.1714 20557.0257 14438.2868 263.8260 -203072.4067 2442.2647 0.0000 0.0000 51903.7421 -109459.0900 298.2915 -161362.8321 -109100.7842 299.0813 -128.9168 -101.7605 761646.4153 -3.8350 -3.9054 PRESSURE: 3895000 -541.241 -268.012 -101.638 -268.013 -120.52 20.0527 -101.638 20.0525 -231.545 GPRESSURE: 3895000 -477.259 -174.064 -53.7901 -153.599 -121.722 43.6893 -87.0314 74.1607 -203.944 PRESSAVG: 3895000 5.78397 6.42424 -35.3902 6.42424 -27.4127 -32.2445 -35.3901 -32.2445 4.0838 GPRESSAVG: 3895000 7.34538 5.4311 -34.0287 6.70215 -27.7553 -33.3457 -35.1655 -29.2077 3.02839 TIMING: 3895000 CPU: 12308.6, 0.00319021/step Wall: 12308.6, 0.00319021/step, 0.979216 hours remaining, 235.628906 MB of memory in use. ENERGY: 3895000 4029.6566 20583.6458 14470.3652 244.4592 -202992.3312 2417.0341 0.0000 0.0000 51988.7463 -109258.4239 298.7800 -161247.1702 -108900.1721 299.4190 -297.7686 -267.6415 761687.4113 -5.8483 -5.7938 PRESSURE: 3895200 110.858 159.993 -57.3824 159.992 165.574 -82.4692 -57.3817 -82.4703 55.8467 GPRESSURE: 3895200 131.865 92.3463 65.4531 97.2148 161.266 -83.423 -12.1632 -10.7912 126.453 PRESSAVG: 3895200 -34.1469 -21.2237 -17.5526 -21.2237 73.6615 25.2573 -17.5526 25.2573 5.69576 GPRESSAVG: 3895200 -34.3917 -18.5794 -17.593 -23.6841 73.9254 27.2383 -17.5749 24.8808 5.96549 TIMING: 3895200 CPU: 12309.2, 0.00317209/step Wall: 12309.2, 0.00317209/step, 0.97348 hours remaining, 235.628906 MB of memory in use. ENERGY: 3895200 3979.0873 20621.7016 14543.7860 238.6931 -203289.1350 2582.1408 0.0000 0.0000 52198.7027 -109125.0234 299.9867 -161323.7261 -108754.7904 299.9546 110.7595 139.8618 762134.6370 15.0701 15.1664 PRESSURE: 3895400 -526.001 -148.327 -337.349 -148.328 243.517 -170.536 -337.349 -170.536 -276.664 GPRESSURE: 3895400 -423.118 -154.463 -451.131 -210.911 220.626 -214.891 -118.856 -89.231 -257.156 PRESSAVG: 3895400 -51.2264 25.3229 34.3188 25.3229 48.6162 -9.48188 34.3188 -9.48194 11.0427 GPRESSAVG: 3895400 -51.7691 24.1494 32.188 27.5854 47.6565 -11.5055 36.9022 -10.3997 11.9988 TIMING: 3895400 CPU: 12309.8, 0.00317062/step Wall: 12309.8, 0.00317062/step, 0.972851 hours remaining, 235.628906 MB of memory in use. ENERGY: 3895400 3913.1442 20391.8224 14509.1144 219.0433 -203012.3748 2573.9290 0.0000 0.0000 52251.1698 -109154.1518 300.2882 -161405.3216 -108780.5065 299.9858 -186.3824 -153.2159 762066.8569 2.8108 2.6287 PRESSURE: 3895600 -33.0366 -170.207 -136.594 -170.208 -445.898 36.4293 -136.593 36.4306 234.262 GPRESSURE: 3895600 11.5504 -186.718 -120.085 -85.2032 -379.816 -6.6902 -92.8598 14.8741 220.163 PRESSAVG: 3895600 -44.7235 -62.7633 6.26672 -62.7633 55.0972 -55.5785 6.26672 -55.5786 14.8286 GPRESSAVG: 3895600 -44.0902 -63.4387 8.01106 -62.1916 56.882 -53.559 3.91688 -55.7724 12.9793 TIMING: 3895600 CPU: 12310.5, 0.00318978/step Wall: 12310.5, 0.00318978/step, 0.978553 hours remaining, 235.628906 MB of memory in use. ENERGY: 3895600 4015.4351 20513.3758 14499.7535 252.3633 -203003.2937 2318.3333 0.0000 0.0000 52121.3971 -109282.6356 299.5424 -161404.0327 -108917.3459 299.3562 -81.5576 -49.3675 761313.3606 8.4008 8.5904 PRESSURE: 3895800 46.8676 -4.44625 42.9471 -4.44568 25.054 -16.2191 42.9474 -16.2182 -41.0404 GPRESSURE: 3895800 145.646 -76.6947 -65.013 8.33067 30.5701 -11.0357 108.186 -23.9 -55.0001 PRESSAVG: 3895800 -20.259 -5.47029 14.8593 -5.4703 10.686 -49.4005 14.8593 -49.4006 8.11954 GPRESSAVG: 3895800 -21.338 -4.09474 13.6104 -6.31714 9.88199 -49.7279 16.234 -48.7141 9.97492 TIMING: 3895800 CPU: 12311.1, 0.0031812/step Wall: 12311.1, 0.0031812/step, 0.975745 hours remaining, 235.617188 MB of memory in use. ENERGY: 3895800 3980.6637 20508.0897 14507.6153 245.6819 -203246.2197 2570.3722 0.0000 0.0000 52127.3692 -109306.4274 299.5767 -161433.7967 -108942.9960 299.6348 10.2937 40.4055 761179.4630 -0.4845 -0.4937 PRESSURE: 3896000 152.023 -80.0679 121.839 -80.0678 -44.4406 76.0682 121.84 76.067 -45.6178 GPRESSURE: 3896000 143.442 -86.4312 186.691 -49.3878 10.9673 221.787 63.8061 145.685 -43.4962 PRESSAVG: 3896000 -5.02551 4.84917 19.6829 4.84914 -6.44857 -42.3546 19.6828 -42.3546 22.7595 GPRESSAVG: 3896000 -5.95939 5.08032 20.0709 3.60156 -5.66793 -41.1755 18.8272 -43.4646 22.7445 TIMING: 3896000 CPU: 12311.7, 0.00317209/step Wall: 12311.7, 0.00317209/step, 0.972775 hours remaining, 235.628906 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: 3896000 3974.5194 20501.0751 14465.0300 253.4499 -203527.6574 2919.5882 0.0000 0.0000 51929.0625 -109484.9323 298.4370 -161413.9948 -109129.0917 299.1466 20.6549 36.9710 761874.2727 3.7618 3.7057 PRESSURE: 3896200 164.113 -264.044 117.714 -264.044 275.771 126.35 117.713 126.35 106.907 GPRESSURE: 3896200 236.813 -307.363 71.7434 -215.552 265.25 131.379 174.161 81.2002 135.022 PRESSAVG: 3896200 36.3051 -36.6777 -18.4875 -36.6775 -17.7071 -39.8787 -18.4875 -39.8786 -11.071 GPRESSAVG: 3896200 38.502 -38.9593 -18.43 -32.5958 -19.0798 -40.9794 -17.4005 -39.5007 -11.2707 TIMING: 3896200 CPU: 12312.4, 0.00318759/step Wall: 12312.4, 0.00318759/step, 0.97735 hours remaining, 235.628906 MB of memory in use. ENERGY: 3896200 3986.1358 20487.4418 14404.6077 229.8822 -203270.0967 2571.0767 0.0000 0.0000 51829.0930 -109761.8596 297.8625 -161590.9525 -109392.8136 298.4388 182.2635 212.3619 761102.1687 2.5090 2.7171 LDB: ============= START OF LOAD BALANCING ============== 12324.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12324.9 LDB: =============== DONE WITH MIGRATION ================ 12324.9 LDB: ============= START OF LOAD BALANCING ============== 12325.2 LDB: Largest compute 7076 load 0.033433 is 17.1% of average load 0.195659 LDB: Average compute 0.004373 is 2.2% of average load 0.195659 LDB: TIME 12325.2 LOAD: AVG 0.195659 MAX 0.211618 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.414 MB LDB: TIME 12325.2 LOAD: AVG 0.195659 MAX 0.211618 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: TIME 12325.2 LOAD: AVG 0.195659 MAX 0.211618 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.617 MB LDB: ============== END OF LOAD BALANCING =============== 12325.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12325.2 PRESSURE: 3896400 157.349 -58.7346 -118.675 -58.7348 -1.08827 27.4427 -118.676 27.4433 134.238 GPRESSURE: 3896400 135.086 -44.3313 -123.059 -6.24114 88.1422 -3.80071 -47.5767 -12.6447 171.424 PRESSAVG: 3896400 45.8087 -29.9666 -63.4511 -29.9666 -18.4496 -30.8714 -63.4512 -30.8714 13.0053 GPRESSAVG: 3896400 45.9276 -29.4294 -64.1077 -30.4683 -18.2567 -31.0913 -62.8357 -31.3804 12.2597 TIMING: 3896400 CPU: 12313, 0.0032527/step Wall: 12313, 0.0032527/step, 0.997134 hours remaining, 235.652344 MB of memory in use. ENERGY: 3896400 3996.4744 20242.8342 14380.6033 247.1160 -203416.9512 2639.1476 0.0000 0.0000 52168.0183 -109742.7574 299.8103 -161910.7756 -109378.4106 298.5860 96.8331 131.5507 760499.6249 13.4548 13.3102 PRESSURE: 3896600 7.48104 -240.913 68.8553 -240.913 -242.961 -29.5356 68.8543 -29.5352 -393.319 GPRESSURE: 3896600 5.88649 -188.536 92.0358 -280.358 -219.491 -59.2264 9.18335 -49.1626 -304.496 PRESSAVG: 3896600 -30.6923 -39.1019 -9.73109 -39.1018 -13.7045 -31.9454 -9.73106 -31.9454 -4.06517 GPRESSAVG: 3896600 -32.2141 -38.8532 -8.27162 -41.7862 -13.233 -31.8698 -12.4699 -32.0159 -3.33927 TIMING: 3896600 CPU: 12313.7, 0.00318489/step Wall: 12313.7, 0.00318489/step, 0.97617 hours remaining, 235.910156 MB of memory in use. ENERGY: 3896600 3968.8595 20461.2356 14460.8321 251.0789 -203447.1136 2659.2453 0.0000 0.0000 51986.8375 -109659.0247 298.7691 -161645.8622 -109293.1646 298.3407 -209.5998 -172.7002 761536.4895 -16.1540 -16.2621 PRESSURE: 3896800 -173.797 0.29501 -109.564 0.295114 74.6818 -171.141 -109.564 -171.141 145.326 GPRESSURE: 3896800 -63.858 91.0167 -142.086 65.4801 31.1859 -197.622 -75.7784 -33.3797 155.354 PRESSAVG: 3896800 11.9757 1.2797 -17.4683 1.27966 -1.20678 -3.34646 -17.4683 -3.34648 23.5844 GPRESSAVG: 3896800 12.9991 3.33762 -18.7909 2.78458 -2.68642 -2.68178 -14.4686 -3.93189 24.5606 TIMING: 3896800 CPU: 12314.3, 0.00320006/step Wall: 12314.3, 0.00320006/step, 0.980641 hours remaining, 235.925781 MB of memory in use. ENERGY: 3896800 3933.8751 20434.4005 14452.1035 247.2190 -203274.3741 2646.1373 0.0000 0.0000 51988.4272 -109572.2115 298.7782 -161560.6387 -109207.6192 298.6696 15.4037 40.8939 761165.0940 11.4511 11.6244 PRESSURE: 3897000 -90.5957 24.4332 177.813 24.4337 -192.049 -169.762 177.812 -169.762 168.507 GPRESSURE: 3897000 -41.4689 64.8491 144.085 -7.45034 -66.1752 -192.792 -1.64215 -151.588 84.8146 PRESSAVG: 3897000 27.5332 12.3855 -23.5101 12.3855 -23.0228 -47.6903 -23.5101 -47.6904 -5.91617 GPRESSAVG: 3897000 27.2294 10.1407 -23.1788 13.0275 -21.624 -48.6127 -25.9526 -45.0573 -7.23625 TIMING: 3897000 CPU: 12314.9, 0.00318477/step Wall: 12314.9, 0.00318477/step, 0.975777 hours remaining, 235.914062 MB of memory in use. ENERGY: 3897000 4066.2446 20391.8014 14513.7227 244.8129 -203317.6643 2697.1875 0.0000 0.0000 52153.4278 -109250.4674 299.7265 -161403.8953 -108895.6305 299.2121 -38.0460 -7.6098 760731.4390 -0.4686 -0.5436 PRESSURE: 3897200 -124.675 155.762 -54.613 155.762 165.708 -136.405 -54.6144 -136.405 -128.591 GPRESSURE: 3897200 -137.927 117.494 -12.1553 66.8526 194.818 -59.6325 23.2481 -179.967 -77.8752 PRESSAVG: 3897200 34.8775 12.87 24.4675 12.87 -37.9027 -35.5366 24.4675 -35.5367 -10.75 GPRESSAVG: 3897200 35.5967 14.8575 23.8166 12.4692 -38.9935 -35.9718 27.1698 -36.3349 -9.69213 TIMING: 3897200 CPU: 12315.6, 0.00317722/step Wall: 12315.6, 0.00317723/step, 0.97329 hours remaining, 235.925781 MB of memory in use. ENERGY: 3897200 3876.5120 20435.0277 14555.8707 246.4766 -203788.1446 2996.2106 0.0000 0.0000 52037.7756 -109640.2714 299.0618 -161678.0470 -109274.7624 299.2369 -29.1863 -6.9945 763610.8322 -4.5917 -4.3630 PRESSURE: 3897400 121.001 -179.062 50.5053 -179.061 60.0537 71.1879 50.5059 71.1882 87.7303 GPRESSURE: 3897400 150.85 -177.414 49.4276 -129.038 10.9843 5.76746 200.917 12.7495 179.748 PRESSAVG: 3897400 -17.7133 -56.2619 0.939143 -56.2618 6.9422 -50.9749 0.939091 -50.9749 19.89 GPRESSAVG: 3897400 -17.451 -57.5032 1.58071 -56.2031 7.71804 -51.1413 -0.737643 -49.7172 19.0514 TIMING: 3897400 CPU: 12316.2, 0.00317328/step Wall: 12316.2, 0.00317328/step, 0.971906 hours remaining, 235.925781 MB of memory in use. ENERGY: 3897400 3933.5113 20571.1187 14437.9656 219.2479 -203882.6569 3080.0403 0.0000 0.0000 52007.4877 -109633.2853 298.8877 -161640.7731 -109269.4455 298.8675 89.5950 113.8609 761715.5826 3.0396 3.1062 PRESSURE: 3897600 -111.406 26.511 79.9613 26.51 -397.709 -121.155 79.9601 -121.154 546.576 GPRESSURE: 3897600 -105.531 43.0079 31.328 -63.9262 -331.423 -114.638 165.598 37.6807 575.075 PRESSAVG: 3897600 -1.61875 -8.87955 -39.0422 -8.87957 13.8276 -19.6944 -39.0422 -19.6944 -7.1648 GPRESSAVG: 3897600 -0.425798 -7.7215 -38.3694 -8.87691 13.349 -20.1085 -42.0917 -21.2863 -7.1922 TIMING: 3897600 CPU: 12316.8, 0.0031697/step Wall: 12316.8, 0.0031697/step, 0.970632 hours remaining, 235.925781 MB of memory in use. ENERGY: 3897600 4015.6590 20398.5960 14476.2821 266.1120 -203365.0323 2515.3252 0.0000 0.0000 52237.8753 -109455.1827 300.2118 -161693.0581 -109096.3095 299.3156 12.4870 46.0403 759911.2969 1.6813 1.9103 PRESSURE: 3897800 -65.2429 18.3514 -212.879 18.3512 -259.835 -101.655 -212.878 -101.656 36.7834 GPRESSURE: 3897800 8.02867 69.8797 -130.117 -49.4617 -226.529 -152.526 -219.3 -39.0228 3.36892 PRESSAVG: 3897800 16.9819 -49.1844 -27.3393 -49.1843 18.9428 -34.9521 -27.3392 -34.9521 -7.24234 GPRESSAVG: 3897800 15.8741 -50.5698 -27.1668 -50.638 18.669 -32.0156 -23.3389 -34.5249 -6.21803 TIMING: 3897800 CPU: 12317.5, 0.00317513/step Wall: 12317.5, 0.00317513/step, 0.972119 hours remaining, 235.925781 MB of memory in use. ENERGY: 3897800 4001.5105 20426.4019 14534.6868 255.6741 -203213.8464 2646.9585 0.0000 0.0000 51872.9243 -109475.6903 298.1144 -161348.6147 -109107.3956 299.1909 -96.0983 -71.7103 760860.2055 9.5608 9.4417 PRESSURE: 3898000 -69.5288 -15.7232 -215.405 -15.7227 17.0819 -250.139 -215.406 -250.139 -139.579 GPRESSURE: 3898000 -64.0985 -77.3904 -104.166 174.249 51.4569 -199.576 -167.394 -220.64 -90.0801 PRESSAVG: 3898000 18.0993 -23.6477 -17.1173 -23.6477 4.58036 3.28416 -17.1173 3.28413 -13.8891 GPRESSAVG: 3898000 18.1797 -22.0841 -18.8175 -23.0445 6.22169 1.89474 -18.3821 5.45735 -15.6674 TIMING: 3898000 CPU: 12318.1, 0.00315065/step Wall: 12318.1, 0.00315065/step, 0.964448 hours remaining, 235.925781 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: 3898000 4012.2212 20408.9667 14500.9965 245.1990 -203348.2788 2674.3007 0.0000 0.0000 52081.4039 -109425.1909 299.3125 -161506.5948 -109062.4988 299.0617 -64.0086 -34.2405 759768.0882 2.9302 2.9114 PRESSURE: 3898200 -221.638 -130.686 -7.95344 -130.686 -194.547 -20.396 -7.95324 -20.3957 -182.544 GPRESSURE: 3898200 -250.849 -73.7618 -18.8866 -183.856 -105.064 61.4436 27.8748 -6.801 -160.187 PRESSAVG: 3898200 11.2844 16.2721 -21.7175 16.2721 18.4892 14.6384 -21.7176 14.6384 -13.2735 GPRESSAVG: 3898200 11.4814 15.7781 -20.7167 16.4625 17.2878 16.2664 -22.6834 10.9897 -12.4193 TIMING: 3898200 CPU: 12318.7, 0.00314279/step Wall: 12318.7, 0.00314279/step, 0.961867 hours remaining, 235.925781 MB of memory in use. ENERGY: 3898200 4004.2705 20502.4962 14425.8799 246.2521 -203198.2355 2405.4432 0.0000 0.0000 52105.4430 -109508.4507 299.4507 -161613.8937 -109148.4117 298.9760 -199.5764 -172.0333 761129.8372 5.5000 5.4500 PRESSURE: 3898400 -75.2726 82.5523 -33.0682 82.5526 71.2809 -188.076 -33.069 -188.076 242.805 GPRESSURE: 3898400 -21.5705 62.7611 12.3967 97.6978 186.76 -65.8089 -197.795 -67.5871 163.05 PRESSAVG: 3898400 -42.1992 2.73927 0.0271762 2.73927 12.2153 -17.3331 0.0271326 -17.3331 -9.40724 GPRESSAVG: 3898400 -41.9812 2.07977 1.35389 3.87755 11.9704 -17.1759 -0.277399 -14.9843 -9.07919 TIMING: 3898400 CPU: 12319.4, 0.00315816/step Wall: 12319.4, 0.00315816/step, 0.966398 hours remaining, 235.925781 MB of memory in use. ENERGY: 3898400 3899.6284 20649.9111 14376.1749 229.5140 -203670.7272 2889.9912 0.0000 0.0000 52085.3550 -109540.1526 299.3353 -161625.5077 -109178.7985 298.7183 79.6042 109.4132 761128.6914 -13.1304 -13.0300 PRESSURE: 3898600 135.698 185.393 51.7872 185.391 -215.008 15.5332 51.7854 15.5327 -88.6649 GPRESSURE: 3898600 135.005 182.033 26.9731 199.589 -175.715 -26.1034 70.9456 -39.1486 -57.2995 PRESSAVG: 3898600 10.1983 45.3509 -0.451713 45.3509 -21.0785 13.3041 -0.451673 13.3041 -3.96562 GPRESSAVG: 3898600 11.527 45.6682 0.642546 46.2822 -20.8792 11.3731 -1.20523 12.606 -5.7676 TIMING: 3898600 CPU: 12320, 0.00318077/step Wall: 12320, 0.00318077/step, 0.97314 hours remaining, 235.925781 MB of memory in use. ENERGY: 3898600 4050.2714 20478.8031 14407.6434 270.1615 -203739.5771 2668.9201 0.0000 0.0000 52178.9551 -109684.8226 299.8732 -161863.7777 -109324.7665 299.4472 -55.9916 -32.6700 760697.7000 -4.9486 -5.0399 PRESSURE: 3898800 -22.2938 -7.77322 108.747 -7.77375 115.078 280.606 108.746 280.606 101.747 GPRESSURE: 3898800 34.5102 10.7947 180.332 90.1946 108.666 237.116 116.133 200.075 140.513 PRESSAVG: 3898800 -16.3832 8.75559 -21.2794 8.75556 -7.95182 -32.1865 -21.2794 -32.1866 1.86969 GPRESSAVG: 3898800 -17.7753 6.37134 -23.2191 7.04935 -8.24333 -31.9259 -18.7645 -31.3594 3.44757 TIMING: 3898800 CPU: 12320.6, 0.00317472/step Wall: 12320.6, 0.00317472/step, 0.971113 hours remaining, 235.925781 MB of memory in use. ENERGY: 3898800 3962.3550 20687.6730 14467.9691 240.4261 -203670.9257 2746.0881 0.0000 0.0000 51853.4670 -109712.9474 298.0026 -161566.4144 -109343.0306 299.2771 64.8435 94.5632 761109.1050 -7.4885 -7.5237 PRESSURE: 3899000 176.583 85.7762 266.65 85.7754 -222.799 350.294 266.65 350.294 -89.6082 GPRESSURE: 3899000 176.956 69.3867 248.225 79.2066 -168.716 334.776 15.4675 244.897 -74.4746 PRESSAVG: 3899000 27.9489 2.84692 14.8174 2.84691 -44.4885 18.4779 14.8174 18.478 -7.17744 GPRESSAVG: 3899000 27.5213 5.03605 15.2811 2.44272 -44.4882 19.2734 14.0724 16.1994 -7.24505 TIMING: 3899000 CPU: 12321.3, 0.00319866/step Wall: 12321.3, 0.00319866/step, 0.978255 hours remaining, 235.925781 MB of memory in use. ENERGY: 3899000 3928.2173 20515.6364 14484.8111 265.5532 -203435.6065 2648.0940 0.0000 0.0000 52075.8426 -109517.4518 299.2806 -161593.2944 -109155.0604 298.8262 -45.2749 -22.0782 760698.1387 -7.9057 -8.0707 PRESSURE: 3899200 -210.893 -76.6729 6.5108 -76.673 -359.327 -54.7363 6.51133 -54.7362 100.598 GPRESSURE: 3899200 -65.5585 -45.5882 18.4407 -161.969 -328.406 -101.83 68.918 37.4837 12.795 PRESSAVG: 3899200 52.1486 -3.45213 -9.32763 -3.45221 -38.2249 8.98178 -9.32755 8.98181 -22.2282 GPRESSAVG: 3899200 54.5111 -2.86495 -10.0772 -0.874128 -39.261 8.85298 -11.4786 9.12052 -22.4679 TIMING: 3899200 CPU: 12321.9, 0.00319297/step Wall: 12321.9, 0.00319297/step, 0.976339 hours remaining, 235.925781 MB of memory in use. ENERGY: 3899200 3892.9973 20596.5054 14455.3875 253.8757 -203357.3027 2568.0632 0.0000 0.0000 51929.4455 -109661.0281 298.4392 -161590.4736 -109300.5649 299.1305 -156.5407 -127.0565 760588.7319 -2.7682 -2.4060 PRESSURE: 3899400 111.198 218.199 35.8975 218.198 -356.375 16.0404 35.8971 16.0405 338.468 GPRESSURE: 3899400 102.081 220.944 123.568 273.026 -276.777 104.283 -57.4884 -32.4274 358.174 PRESSAVG: 3899400 69.706 23.2045 -4.42344 23.2045 -61.3757 -37.4037 -4.42347 -37.4037 15.9177 GPRESSAVG: 3899400 68.3849 21.8734 -3.15849 21.0441 -60.6836 -38.2476 -3.93857 -37.1984 16.6097 TIMING: 3899400 CPU: 12322.6, 0.00316093/step Wall: 12322.6, 0.00316093/step, 0.966367 hours remaining, 235.925781 MB of memory in use. ENERGY: 3899400 3976.1970 20612.4463 14423.7204 235.4677 -203396.8622 2540.7591 0.0000 0.0000 51951.7312 -109656.5405 298.5673 -161608.2717 -109299.7277 298.6815 31.0970 61.1594 759931.7275 8.0827 8.1037 PRESSURE: 3899600 -35.5702 -57.8633 54.4665 -57.864 15.3149 86.7923 54.4665 86.7929 19.2781 GPRESSURE: 3899600 -71.3161 38.3623 89.7799 -30.2236 106.274 71.4113 55.6724 125.921 41.1044 PRESSAVG: 3899600 54.5966 57.3297 17.0295 57.3296 -56.873 18.12 17.0295 18.1201 -4.0908 GPRESSAVG: 3899600 53.8183 56.9042 16.6121 57.1183 -56.0781 19.9392 17.329 15.5847 -4.43262 TIMING: 3899600 CPU: 12323.2, 0.00316185/step Wall: 12323.2, 0.00316185/step, 0.966473 hours remaining, 235.925781 MB of memory in use. ENERGY: 3899600 3957.3668 20412.9349 14460.6639 229.1964 -203494.1257 2799.4964 0.0000 0.0000 52266.6414 -109367.8260 300.3771 -161634.4674 -109003.8748 298.7383 -0.3258 25.3541 760569.1114 -2.1224 -2.2308 PRESSURE: 3899800 -18.2095 -59.6285 -189.465 -59.6277 -285.644 -128.678 -189.465 -128.677 2.17605 GPRESSURE: 3899800 84.757 -14.1089 -142.495 60.8192 -268.882 -99.3953 -325.258 -97.811 -26.0626 PRESSAVG: 3899800 49.1192 63.1185 -18.8163 63.1185 -28.223 -1.67447 -18.8163 -1.67447 -5.81709 GPRESSAVG: 3899800 49.1526 64.2195 -18.0731 63.3351 -28.0251 -1.9578 -17.1237 4.27836 -5.8155 TIMING: 3899800 CPU: 12323.8, 0.00316919/step Wall: 12323.8, 0.00316919/step, 0.96854 hours remaining, 235.925781 MB of memory in use. ENERGY: 3899800 4006.8941 20384.2266 14350.7233 244.6970 -203049.6216 2411.6069 0.0000 0.0000 52133.5038 -109517.9698 299.6120 -161651.4736 -109155.0215 299.1864 -100.5591 -70.0627 760131.6118 5.0264 5.1040 PRESSURE: 3900000 -240.408 100.381 9.74793 100.381 127.039 92.4365 9.74749 92.4372 -350.047 GPRESSURE: 3900000 -194.928 68.4251 25.255 60.7698 75.1507 150.394 28.6145 3.22695 -274.467 PRESSAVG: 3900000 -21.8812 62.5599 -14.2619 62.56 32.9818 -37.4954 -14.2619 -37.4953 21.2817 GPRESSAVG: 3900000 -20.7718 61.4751 -15.1272 64.3675 31.6442 -37.7306 -13.515 -41.0992 21.8585 TIMING: 3900000 CPU: 12324.5, 0.00321821/step Wall: 12324.5, 0.00321821/step, 0.983342 hours remaining, 235.925781 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: 3900000 4018.8039 20397.4019 14420.5615 250.3982 -203144.0403 2474.6774 0.0000 0.0000 52094.5251 -109487.6723 299.3880 -161582.1974 -109127.2915 299.0963 -154.4717 -131.4147 760702.3089 10.7941 10.9103 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.1.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 -67.3753 -80.7767 138.239 -80.7767 -246.686 136.53 138.239 136.531 57.1564 GPRESSURE: 3900200 -15.4735 -61.0751 135.941 -124.431 -262.709 70.1418 42.1873 143.247 88.1539 PRESSAVG: 3900200 -17.9333 -20.1529 43.7258 -20.1528 40.5211 19.7847 43.7259 19.7846 10.0501 GPRESSAVG: 3900200 -18.8581 -18.8481 42.5361 -20.7101 41.949 19.4916 42.5121 19.2608 9.36096 TIMING: 3900200 CPU: 12325.2, 0.00389378/step Wall: 12325.2, 0.00389378/step, 1.18955 hours remaining, 235.925781 MB of memory in use. ENERGY: 3900200 3985.8836 20526.8718 14381.8654 264.5445 -203306.1466 2527.0282 0.0000 0.0000 52191.1705 -109428.7827 299.9434 -161619.9532 -109063.0929 299.4007 -85.6349 -63.3430 760283.8286 10.8793 10.8173 LDB: ============= START OF LOAD BALANCING ============== 12337.8 LDB: ============== END OF LOAD BALANCING =============== 12337.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12337.8 LDB: ============= START OF LOAD BALANCING ============== 12338.1 LDB: Largest compute 7031 load 0.033863 is 17.3% of average load 0.195619 LDB: Average compute 0.004386 is 2.2% of average load 0.195619 LDB: TIME 12338.1 LOAD: AVG 0.195619 MAX 0.216469 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.652 MB LDB: TIME 12338.1 LOAD: AVG 0.195619 MAX 0.216469 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.715 MB LDB: TIME 12338.1 LOAD: AVG 0.195619 MAX 0.216469 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.715 MB LDB: ============== END OF LOAD BALANCING =============== 12338.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12338.1 PRESSURE: 3900400 -243.967 -1.03272 249.514 -1.0329 13.0465 -54.3188 249.515 -54.3175 -153.471 GPRESSURE: 3900400 -154.117 14.4212 228.357 -20.2997 24.5309 -81.6026 278.743 -25.8443 -164.062 PRESSAVG: 3900400 -43.9103 -1.73801 -21.363 -1.738 29.3853 40.2888 -21.363 40.2888 25.3135 GPRESSAVG: 3900400 -43.379 -4.46175 -20.6442 0.123521 28.3021 40.6033 -20.9766 40.6157 25.7542 TIMING: 3900400 CPU: 12325.9, 0.00325948/step Wall: 12325.9, 0.00325948/step, 0.99559 hours remaining, 238.156250 MB of memory in use. ENERGY: 3900400 3968.1781 20534.9264 14512.0914 261.4220 -203597.2666 2720.6361 0.0000 0.0000 52378.2353 -109221.7773 301.0184 -161600.0126 -108854.1669 299.5380 -128.1306 -97.8827 761997.3951 3.5962 3.5591 PRESSURE: 3900600 -56.8732 252.893 -58.5114 252.893 -308.966 191.254 -58.5115 191.252 -150.749 GPRESSURE: 3900600 -73.2771 249.111 -12.1199 192.572 -250.594 216.904 -53.6471 209.058 -99.3536 PRESSAVG: 3900600 21.7293 34.8568 31.699 34.8568 34.8412 64.6583 31.699 64.6582 -0.277757 GPRESSAVG: 3900600 21.5312 36.2299 30.3966 32.9621 35.2984 64.7902 32.0309 66.5441 -0.619792 TIMING: 3900600 CPU: 12326.5, 0.00316782/step Wall: 12326.5, 0.00316782/step, 0.967416 hours remaining, 238.304688 MB of memory in use. ENERGY: 3900600 3957.4097 20645.4605 14418.8621 239.2873 -203081.3803 2371.6321 0.0000 0.0000 52157.3181 -109291.4104 299.7488 -161448.7285 -108927.9956 299.8518 -172.1963 -141.0751 760579.1922 18.7643 18.7366 PRESSURE: 3900800 -222.089 2.92241 97.8845 2.92329 -135.952 206.871 97.8849 206.871 -85.3429 GPRESSURE: 3900800 -222.67 -13.9477 98.5558 47.0696 -77.4614 220.041 26.7891 146.577 -62.632 PRESSAVG: 3900800 -53.7886 41.5773 6.12234 41.5772 6.38 56.8405 6.12241 56.8406 -7.00162 GPRESSAVG: 3900800 -54.5606 41.3612 7.86996 42.8303 7.07505 58.5379 3.82765 54.8908 -6.9002 TIMING: 3900800 CPU: 12327.2, 0.00316365/step Wall: 12327.2, 0.00316365/step, 0.965968 hours remaining, 238.371094 MB of memory in use. ENERGY: 3900800 4048.5844 20628.5868 14517.0297 240.4336 -203000.5332 2162.6653 0.0000 0.0000 51984.2931 -109418.9402 298.7544 -161403.2333 -109061.1881 299.2316 -147.7947 -120.9210 761479.0355 -18.1367 -18.1286 PRESSURE: 3901000 206.462 -312.829 -6.10075 -312.828 -234.198 117.851 -6.10068 117.85 180.677 GPRESSURE: 3901000 224.151 -213.122 -131.917 -208.469 -219.672 111.874 52.6771 188.155 207.576 PRESSAVG: 3901000 -11.7339 -26.4583 56.3586 -26.4583 33.1693 14.0119 56.3586 14.0119 20.3152 GPRESSAVG: 3901000 -10.4571 -24.437 56.1135 -30.0454 33.6336 11.6867 56.8272 15.5858 19.3084 TIMING: 3901000 CPU: 12327.8, 0.00318364/step Wall: 12327.8, 0.00318364/step, 0.971894 hours remaining, 238.371094 MB of memory in use. ENERGY: 3901000 4027.0763 20400.6605 14489.0425 261.3533 -203389.1397 2614.4813 0.0000 0.0000 52103.0177 -109493.5080 299.4368 -161596.5257 -109124.1557 299.3848 50.9803 70.6851 761434.5358 13.9169 14.1617 PRESSURE: 3901200 -261.693 -29.9798 92.1883 -29.98 -109.501 294.967 92.1877 294.966 320.887 GPRESSURE: 3901200 -205.104 155.945 197.284 -80.8749 -56.6388 214.767 212.24 128.786 283.072 PRESSAVG: 3901200 -24.8977 -50.2602 17.2935 -50.2601 -2.6507 20.7773 17.2934 20.7773 -22.3127 GPRESSAVG: 3901200 -24.5656 -51.5319 17.8226 -47.7364 -3.9691 19.6542 18.896 20.188 -21.2242 TIMING: 3901200 CPU: 12328.4, 0.00318609/step Wall: 12328.4, 0.00318609/step, 0.972465 hours remaining, 238.371094 MB of memory in use. ENERGY: 3901200 4002.7352 20504.4871 14538.3916 249.6897 -203544.1107 2774.1711 0.0000 0.0000 52030.2756 -109444.3605 299.0187 -161474.6360 -109069.4761 299.1776 -16.7692 7.1097 762171.4967 -16.6204 -16.5863 PRESSURE: 3901400 -133.307 -100.125 66.6342 -100.124 34.9141 59.9253 66.634 59.925 74.5617 GPRESSURE: 3901400 -103.004 -128.278 90.5625 -40.3704 21.1217 55.847 28.2517 201.333 150.082 PRESSAVG: 3901400 -71.7283 -8.74271 45.8389 -8.74273 19.5775 4.44274 45.8388 4.44278 -1.58298 GPRESSAVG: 3901400 -72.7593 -10.0851 47.8249 -7.42768 20.8581 5.54266 42.2804 3.59603 -1.22383 TIMING: 3901400 CPU: 12329.1, 0.00318371/step Wall: 12329.1, 0.00318371/step, 0.971563 hours remaining, 238.371094 MB of memory in use. ENERGY: 3901400 3996.9397 20445.9608 14456.5054 240.9786 -202890.9403 2403.4635 0.0000 0.0000 51992.6513 -109354.4410 298.8025 -161347.0923 -108987.4468 299.5224 -7.9439 22.7332 763565.1688 -17.9112 -17.7084 PRESSURE: 3901600 391.965 45.3756 -241.599 45.3751 -96.5636 30.3759 -241.6 30.375 -193.284 GPRESSURE: 3901600 370.265 -2.34425 -82.6614 36.4905 -69.6632 -23.8486 -286.827 14.0759 -126.831 PRESSAVG: 3901600 28.9936 -25.1684 8.31275 -25.1683 -22.3991 48.1486 8.31278 48.1485 11.585 GPRESSAVG: 3901600 31.06 -22.8335 5.7284 -25.4108 -24.1312 47.3939 10.6132 48.7288 11.2327 TIMING: 3901600 CPU: 12329.7, 0.00319109/step Wall: 12329.7, 0.00319109/step, 0.973636 hours remaining, 238.371094 MB of memory in use. ENERGY: 3901600 3920.7026 20409.1194 14477.2882 245.9636 -203021.3971 2651.3604 0.0000 0.0000 51922.9402 -109394.0226 298.4019 -161316.9628 -109022.0916 299.4468 34.0389 57.9234 761695.4777 6.0598 6.0538 PRESSURE: 3901800 20.706 -215.383 111.52 -215.383 -45.457 -51.5783 111.519 -51.5774 -301.726 GPRESSURE: 3901800 121.505 -160.994 79.3617 -260.26 -147.277 -91.6928 147.257 18.6607 -215.985 PRESSAVG: 3901800 64.9503 8.49978 -15.2979 8.49988 -17.388 -11.2301 -15.2979 -11.2301 -4.41065 GPRESSAVG: 3901800 63.4248 8.34501 -16.0961 6.56013 -16.5127 -10.7785 -14.2799 -10.1271 -3.68916 TIMING: 3901800 CPU: 12330.3, 0.00318432/step Wall: 12330.3, 0.00318432/step, 0.971395 hours remaining, 238.371094 MB of memory in use. ENERGY: 3901800 3976.7229 20691.0013 14522.4800 249.5706 -203089.8920 2521.7344 0.0000 0.0000 51848.1956 -109280.1872 297.9723 -161128.3828 -108939.5519 299.0304 -108.8256 -80.5855 762754.1712 14.3839 14.4076 PRESSURE: 3902000 25.9264 61.5585 -22.686 61.5582 -310.65 57.5956 -22.687 57.5951 -30.2822 GPRESSURE: 3902000 1.40606 -25.3027 43.7679 23.7605 -269.844 77.1285 102.072 6.06545 37.6181 PRESSAVG: 3902000 79.2802 5.32835 36.4911 5.3283 -78.3178 32.4676 36.4911 32.4676 25.7679 GPRESSAVG: 3902000 79.9496 1.30041 37.6032 8.02608 -78.6225 31.8915 35.4809 30.4823 25.4486 TIMING: 3902000 CPU: 12331, 0.00318337/step Wall: 12331, 0.00318337/step, 0.970929 hours remaining, 238.371094 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: 3902000 3984.1129 20600.4541 14475.8677 253.0263 -203409.0897 2458.3127 0.0000 0.0000 51944.5386 -109692.7774 298.5260 -161637.3160 -109327.4730 299.5875 -105.0019 -76.9400 761050.6189 8.9101 8.9252 PRESSURE: 3902200 -263.21 58.3655 -51.974 58.3652 -264.045 -32.744 -51.9746 -32.7432 -90.5822 GPRESSURE: 3902200 -222.749 37.6955 -72.8102 94.905 -263.87 7.27628 -135.22 -43.1691 -37.9987 PRESSAVG: 3902200 31.4147 -10.591 -7.05076 -10.5909 -49.7742 32.4133 -7.05083 32.4134 -14.5884 GPRESSAVG: 3902200 30.5635 -7.89827 -6.41767 -12.2291 -48.6807 32.5961 -6.41441 33.2815 -14.7513 TIMING: 3902200 CPU: 12331.6, 0.00316907/step Wall: 12331.6, 0.00316907/step, 0.966389 hours remaining, 238.371094 MB of memory in use. ENERGY: 3902200 4068.3110 20402.2545 14445.5415 245.3927 -203441.5669 2416.9209 0.0000 0.0000 52196.1002 -109667.0461 299.9717 -161863.1463 -109296.8213 298.4709 -205.9454 -174.8727 760229.5999 -10.9826 -10.9562 PRESSURE: 3902400 78.5656 -29.7665 -25.6368 -29.7669 -487.86 -17.7551 -25.6357 -17.7551 123.285 GPRESSURE: 3902400 29.8833 15.64 6.77511 3.80992 -421.57 -93.3696 -150.908 -27.2988 173.157 PRESSAVG: 3902400 37.2555 -13.833 25.2577 -13.8329 9.03498 39.2007 25.2577 39.2008 20.11 GPRESSAVG: 3902400 36.444 -14.8347 24.8181 -12.5486 8.60432 38.3299 21.8694 38.7819 21.2881 TIMING: 3902400 CPU: 12332.3, 0.00317365/step Wall: 12332.3, 0.00317365/step, 0.967609 hours remaining, 238.371094 MB of memory in use. ENERGY: 3902400 3951.7429 20686.5418 14433.0509 250.8929 -203669.7587 2619.9548 0.0000 0.0000 52193.4144 -109534.1610 299.9563 -161727.5754 -109177.6912 299.6821 -95.3366 -72.8432 759808.4005 22.1335 22.1121 PRESSURE: 3902600 -172.837 -167.049 -26.5215 -167.049 -282.687 -136.806 -26.5215 -136.805 211.67 GPRESSURE: 3902600 -47.9297 -187.267 86.11 -153.565 -241.34 -111.484 32.2444 112.395 144.353 PRESSAVG: 3902600 11.0469 16.5273 11.4542 16.5273 -3.4611 -10.2622 11.4543 -10.2621 17.2013 GPRESSAVG: 3902600 11.1012 16.32 11.6343 16.0082 -2.4865 -9.75225 13.846 -8.1577 16.4513 TIMING: 3902600 CPU: 12332.9, 0.00316893/step Wall: 12332.9, 0.00316893/step, 0.965996 hours remaining, 238.371094 MB of memory in use. ENERGY: 3902600 4060.2638 20396.1969 14361.7516 229.0493 -203880.4203 3027.9111 0.0000 0.0000 52146.7534 -109658.4943 299.6881 -161805.2476 -109292.7424 299.0410 -81.2847 -48.3058 760622.1568 8.2624 8.3553 PRESSURE: 3902800 245.581 102.445 -49.0445 102.445 134.655 -101.524 -49.0445 -101.524 239.653 GPRESSURE: 3902800 238.983 46.1052 -105.289 59.5129 195.458 -80.1571 68.7181 -296.264 258.834 PRESSAVG: 3902800 30.765 -24.8659 49.9641 -24.8658 -19.9763 26.0447 49.9641 26.0447 2.08219 GPRESSAVG: 3902800 33.1462 -24.2594 49.7728 -22.9354 -22.9843 26.4477 50.2601 23.2286 2.12645 TIMING: 3902800 CPU: 12333.5, 0.00317714/step Wall: 12333.5, 0.00317714/step, 0.968323 hours remaining, 238.371094 MB of memory in use. ENERGY: 3902800 3971.4407 20486.4539 14435.8850 249.0869 -203302.2119 2656.9197 0.0000 0.0000 51864.3076 -109638.1181 298.0649 -161502.4257 -109276.2800 298.5831 206.6294 231.0915 761659.3721 4.2903 4.0961 PRESSURE: 3903000 -14.8353 104.957 32.9237 104.957 40.7049 -226.862 32.9238 -226.863 125.077 GPRESSURE: 3903000 23.8694 43.2268 38.8906 174.286 78.2958 -201.134 -48.7404 -81.9848 121.215 PRESSAVG: 3903000 5.84506 25.6509 44.8223 25.6508 -16.7825 49.8405 44.8223 49.8405 -9.76956 GPRESSAVG: 3903000 4.29557 25.8746 46.3562 23.1904 -15.1317 49.0311 43.2499 50.0712 -10.2401 TIMING: 3903000 CPU: 12334.2, 0.00315678/step Wall: 12334.2, 0.00315678/step, 0.961942 hours remaining, 238.429688 MB of memory in use. ENERGY: 3903000 3964.4570 20382.0695 14401.2956 220.3886 -203466.4268 2655.2087 0.0000 0.0000 52075.3886 -109767.6189 299.2780 -161843.0075 -109403.4444 298.6520 50.3156 74.4602 759271.1665 -6.9023 -7.0254 PRESSURE: 3903200 -229.456 69.1419 -102.872 69.1428 -289.955 -166.078 -102.872 -166.077 -107.884 GPRESSURE: 3903200 -218.825 -21.2579 -145.419 134.135 -215.086 -85.337 -108.875 -150.925 -104.585 PRESSAVG: 3903200 42.1772 56.2291 -4.10282 56.2291 -5.44709 -20.4087 -4.10286 -20.4088 -19.4193 GPRESSAVG: 3903200 41.8103 56.2376 -5.88592 57.8744 -4.76504 -19.052 -2.38238 -19.0366 -19.7156 TIMING: 3903200 CPU: 12334.8, 0.00316357/step Wall: 12334.8, 0.00316357/step, 0.963835 hours remaining, 238.429688 MB of memory in use. ENERGY: 3903200 4055.9410 20554.6875 14417.2912 253.1521 -203350.9587 2388.8430 0.0000 0.0000 51986.4455 -109694.5984 298.7668 -161681.0439 -109336.7342 299.3089 -209.0985 -179.4989 759930.2668 5.7702 5.7765 PRESSURE: 3903400 -245.289 -13.1169 -146.276 -13.1172 -38.1698 134.867 -146.275 134.867 -289.234 GPRESSURE: 3903400 -211.26 -149.793 -155.336 52.0786 -44.8218 69.6354 -213.102 90.5681 -221.823 PRESSAVG: 3903400 9.82797 8.9337 27.5438 8.93373 -4.30521 39.4677 27.5438 39.4678 33.1848 GPRESSAVG: 3903400 9.9154 9.5401 29.2354 6.67072 -4.54812 37.9802 26.9182 38.6546 33.8655 TIMING: 3903400 CPU: 12335.4, 0.00316015/step Wall: 12335.4, 0.00316015/step, 0.962617 hours remaining, 238.429688 MB of memory in use. ENERGY: 3903400 3958.1137 20478.6789 14415.4534 233.4931 -203341.7039 2608.9427 0.0000 0.0000 51746.8375 -109900.1844 297.3898 -161647.0219 -109538.4577 298.6566 -190.8975 -159.3018 760310.4822 12.9025 13.0776 PRESSURE: 3903600 -356.761 -67.6881 120.057 -67.689 -340.088 30.6499 120.058 30.6515 6.9489 GPRESSURE: 3903600 -302.72 -63.7085 145.424 -146.19 -252.23 43.3048 119.712 72.1813 -40.5496 PRESSAVG: 3903600 -26.0254 5.70366 -0.210935 5.70364 34.9935 33.0091 -0.210925 33.009 7.3365 GPRESSAVG: 3903600 -25.705 7.16464 -1.3967 5.47267 36.274 34.0322 0.679322 31.4575 6.07658 TIMING: 3903600 CPU: 12336.1, 0.00315964/step Wall: 12336.1, 0.00315964/step, 0.962287 hours remaining, 238.441406 MB of memory in use. ENERGY: 3903600 4055.2593 20630.8427 14408.4906 227.9946 -203144.9564 2371.2907 0.0000 0.0000 51746.0593 -109705.0192 297.3853 -161451.0785 -109344.1647 298.6499 -229.9667 -198.4998 759888.5091 5.4349 5.5485 PRESSURE: 3903800 -64.5024 172.837 94.987 172.837 -1.64515 257.484 94.987 257.485 205.668 GPRESSURE: 3903800 -42.3097 142.74 116.022 -17.4677 38.0727 245.087 162.424 272.587 220.76 PRESSAVG: 3903800 25.1592 -5.04322 41.1242 -5.04326 -44.1788 16.0168 41.1242 16.0169 25.6062 GPRESSAVG: 3903800 25.8526 -6.157 40.5049 -5.3048 -46.3113 15.3854 40.9882 17.0247 26.385 TIMING: 3903800 CPU: 12336.7, 0.00317561/step Wall: 12336.7, 0.00317561/step, 0.966975 hours remaining, 238.441406 MB of memory in use. ENERGY: 3903800 3980.3477 20685.8166 14446.0252 253.5004 -203115.8366 2322.5909 0.0000 0.0000 51807.3826 -109620.1731 297.7377 -161427.5557 -109261.6833 298.9994 46.5068 72.1743 761132.2959 2.1955 1.9754 PRESSURE: 3904000 205.966 -35.5495 -9.89428 -35.5485 57.2802 2.39962 -9.89434 2.39901 -75.3368 GPRESSURE: 3904000 268.2 -152.819 -27.3263 10.2313 71.2726 6.22397 150.907 49.4789 -81.0592 PRESSAVG: 3904000 42.6474 -11.0957 55.6565 -11.0957 -65.108 25.1533 55.6565 25.1534 5.85595 GPRESSAVG: 3904000 41.757 -11.1642 55.8492 -10.7805 -63.38 26.8121 54.4697 25.1198 5.81683 TIMING: 3904000 CPU: 12337.3, 0.00316152/step Wall: 12337.3, 0.00316152/step, 0.962507 hours remaining, 238.441406 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: 3904000 4044.0912 20501.3198 14398.2902 263.7783 -203429.7774 2446.9907 0.0000 0.0000 51995.1561 -109780.1511 298.8169 -161775.3072 -109425.6257 298.7075 62.6366 86.1376 760546.6689 -5.5349 -5.2687 PRESSURE: 3904200 102.179 -177.673 -21.112 -177.672 53.006 178.007 -21.1128 178.007 291.199 GPRESSURE: 3904200 166.619 -109.962 -66.1447 4.79457 161.728 149.409 40.4446 302.575 191.683 PRESSAVG: 3904200 21.3714 -2.30784 49.3445 -2.30786 14.0019 18.4597 49.3446 18.4595 -21.0544 GPRESSAVG: 3904200 21.6183 -2.34497 50.4865 0.232516 14.0315 16.6238 49.4072 17.982 -20.5525 TIMING: 3904200 CPU: 12338, 0.00317252/step Wall: 12338, 0.00317252/step, 0.96568 hours remaining, 238.441406 MB of memory in use. ENERGY: 3904200 4034.2152 20584.6597 14424.1440 263.4658 -203789.4540 2715.6299 0.0000 0.0000 51961.2185 -109806.1209 298.6218 -161767.3394 -109449.7076 298.7731 148.7947 173.3434 760178.4659 4.7730 5.0324 LDB: ============= START OF LOAD BALANCING ============== 12350.5 LDB: ============== END OF LOAD BALANCING =============== 12350.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12350.5 LDB: ============= START OF LOAD BALANCING ============== 12350.8 LDB: Largest compute 7075 load 0.031757 is 16.2% of average load 0.195546 LDB: Average compute 0.004384 is 2.2% of average load 0.195546 LDB: TIME 12350.8 LOAD: AVG 0.195546 MAX 0.21307 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.477 MB LDB: TIME 12350.8 LOAD: AVG 0.195546 MAX 0.21307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 12350.8 LOAD: AVG 0.195546 MAX 0.21307 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 12350.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12350.8 PRESSURE: 3904400 29.5982 -56.3016 69.4379 -56.3016 -13.1797 -169.154 69.439 -169.154 -42.8092 GPRESSURE: 3904400 38.6516 -32.3842 59.4054 54.6936 63.0283 -182.461 63.844 -30.7676 -38.239 PRESSAVG: 3904400 20.6021 -56.0795 -2.02978 -56.0794 -14.5211 71.8641 -2.02976 71.8641 25.7773 GPRESSAVG: 3904400 19.6754 -55.4273 -2.88547 -58.0941 -14.4276 71.601 -0.847592 73.2504 26.7549 TIMING: 3904400 CPU: 12338.6, 0.00323412/step Wall: 12338.6, 0.00323412/step, 0.984249 hours remaining, 236.406250 MB of memory in use. ENERGY: 3904400 3964.2426 20648.5563 14408.2703 249.2443 -203111.8592 2113.9911 0.0000 0.0000 52080.5589 -109646.9957 299.3077 -161727.5546 -109278.0531 299.2727 -8.7969 21.1470 762285.2266 10.6194 10.6675 PRESSURE: 3904600 300.43 81.7083 -160.015 81.7088 445.236 105.892 -160.014 105.893 703.479 GPRESSURE: 3904600 260.143 49.8742 -199.164 -15.1905 502.045 103.676 -93.3562 126.861 751.884 PRESSAVG: 3904600 -45.5197 -18.9897 5.82883 -18.9897 74.314 35.5413 5.82887 35.5413 -6.79941 GPRESSAVG: 3904600 -44.9851 -20.1999 7.98045 -18.7897 75.2302 35.7175 4.85231 33.8608 -8.67788 TIMING: 3904600 CPU: 12339.2, 0.0031673/step Wall: 12339.2, 0.0031673/step, 0.963738 hours remaining, 236.406250 MB of memory in use. ENERGY: 3904600 3949.0507 20537.5865 14522.0625 248.4468 -203961.0199 3032.1934 0.0000 0.0000 52091.0957 -109580.5845 299.3682 -161671.6802 -109214.5598 299.1173 483.0482 504.6907 760910.1571 7.3316 7.1891 PRESSURE: 3904800 61.5481 136.871 -329.941 136.872 119.918 -103.197 -329.94 -103.197 369.623 GPRESSURE: 3904800 56.6687 93.7009 -342.531 99.3006 137.978 -76.7177 -266.012 -76.8591 432.347 PRESSAVG: 3904800 -18.8863 -1.63886 -61.9433 -1.63882 44.1242 36.0134 -61.9434 36.0135 22.2037 GPRESSAVG: 3904800 -19.1498 -1.80167 -62.6378 -0.20922 42.7237 36.0893 -61.4746 37.8292 23.8913 TIMING: 3904800 CPU: 12339.9, 0.00319705/step Wall: 12339.9, 0.00319705/step, 0.972613 hours remaining, 236.406250 MB of memory in use. ENERGY: 3904800 3976.9685 20660.4097 14487.2092 239.4238 -203279.2374 2559.7698 0.0000 0.0000 52028.6858 -109326.7707 299.0096 -161355.4564 -108968.4432 300.1467 183.6963 208.9979 760445.1344 15.8139 15.8217 PRESSURE: 3905000 -119.999 40.6303 95.4142 40.6316 -249.036 37.3345 95.4142 37.336 756.76 GPRESSURE: 3905000 -92.3853 12.3207 118.853 3.51684 -151.323 70.2882 140.118 13.9008 719.136 PRESSAVG: 3905000 29.4643 -22.9269 22.1678 -22.9269 -28.8246 -24.8688 22.1678 -24.8687 10.1575 GPRESSAVG: 3905000 30.9856 -21.127 21.6249 -24.3315 -29.1154 -23.5889 21.0135 -25.4575 9.25885 TIMING: 3905000 CPU: 12340.5, 0.00320285/step Wall: 12340.5, 0.00320285/step, 0.974201 hours remaining, 236.406250 MB of memory in use. ENERGY: 3905000 4037.3614 20521.4382 14474.9786 266.3017 -203740.2822 2887.1876 0.0000 0.0000 52215.1544 -109337.8604 300.0812 -161553.0148 -108971.7127 300.4063 129.2420 158.4758 760375.9675 3.5991 3.7097 PRESSURE: 3905200 467.549 -3.78532 -231.57 -3.78534 51.4135 107.93 -231.57 107.93 94.7834 GPRESSURE: 3905200 352.526 48.2811 -292.996 1.31424 119.952 38.7492 -231.39 66.9511 210.225 PRESSAVG: 3905200 -2.84596 -18.4172 -1.45953 -18.4171 9.64791 42.0605 -1.45949 42.0605 3.51833 GPRESSAVG: 3905200 -3.24875 -21.1545 -1.24329 -18.0407 10.2172 39.1052 -0.803379 41.2628 3.50205 TIMING: 3905200 CPU: 12341.2, 0.00320481/step Wall: 12341.2, 0.00320481/step, 0.97462 hours remaining, 236.406250 MB of memory in use. ENERGY: 3905200 4041.1002 20743.4613 14353.6075 258.0113 -203665.3202 2698.2744 0.0000 0.0000 52276.6962 -109294.1694 300.4349 -161570.8655 -108920.9643 300.0844 204.5819 227.5676 759107.0133 3.4401 3.4902 PRESSURE: 3905400 -2.28636 -7.11655 -93.9025 -7.11676 -255.47 -45.5096 -93.9028 -45.5106 -392.719 GPRESSURE: 3905400 75.4659 73.1848 -148.029 30.3869 -210.347 7.75208 -10.5872 149.152 -428.341 PRESSAVG: 3905400 2.0314 29.2451 36.7714 29.2452 -1.17609 14.7123 36.7714 14.7124 21.7993 GPRESSAVG: 3905400 0.96244 31.6464 36.4884 27.8582 -2.11132 15.9361 36.6181 16.7077 23.7392 TIMING: 3905400 CPU: 12341.8, 0.00319356/step Wall: 12341.8, 0.00319356/step, 0.971019 hours remaining, 236.406250 MB of memory in use. ENERGY: 3905400 4069.9923 20440.9618 14453.1166 248.3121 -202982.4920 2328.4349 0.0000 0.0000 52327.4659 -109114.2084 300.7267 -161441.6743 -108747.9426 300.3497 -216.8252 -187.7405 762846.1825 7.5515 7.5301 PRESSURE: 3905600 -277.958 -60.8567 38.2639 -60.8565 -300.279 -258.277 38.2635 -258.275 -17.9917 GPRESSURE: 3905600 -327.238 -45.8594 88.9589 -70.0611 -182.023 -384.075 23.6982 -202.389 21.7097 PRESSAVG: 3905600 -28.5912 53.3278 6.0042 53.3279 22.5199 14.3115 6.00421 14.3115 -4.7479 GPRESSAVG: 3905600 -28.3517 52.4828 6.28205 54.3702 22.9236 14.6677 6.25226 14.1935 -5.36926 TIMING: 3905600 CPU: 12342.4, 0.00319759/step Wall: 12342.4, 0.00319759/step, 0.972066 hours remaining, 236.406250 MB of memory in use. ENERGY: 3905600 3986.5267 20562.6108 14458.8150 234.7888 -203117.0675 2668.2606 0.0000 0.0000 52259.3988 -108946.6668 300.3355 -161206.0655 -108583.1983 300.5353 -198.7429 -162.5174 762410.1560 -3.6064 -3.5991 PRESSURE: 3905800 -94.8699 180.896 67.5967 180.896 85.0973 58.5946 67.596 58.5944 -219.4 GPRESSURE: 3905800 -71.6873 164.097 100.807 199.609 32.8289 80.5141 18.405 -45.2933 -98.3831 PRESSAVG: 3905800 54.7109 -38.3267 38.8709 -38.3267 -16.2416 31.163 38.8708 31.163 10.5984 GPRESSAVG: 3905800 55.3957 -37.8152 37.5065 -37.7347 -17.5765 32.6158 39.5437 26.9852 10.5628 TIMING: 3905800 CPU: 12343.1, 0.00320393/step Wall: 12343.1, 0.00320393/step, 0.973818 hours remaining, 236.406250 MB of memory in use. ENERGY: 3905800 4030.4304 20585.8077 14468.6778 246.2515 -203471.9937 2570.0679 0.0000 0.0000 52440.8931 -109129.8653 301.3785 -161570.7584 -108775.0021 299.9878 -76.3909 -45.7472 761410.4323 16.3559 16.1273 PRESSURE: 3906000 -55.6793 168.465 -135.572 168.464 -224.076 -158.231 -135.572 -158.231 36.1835 GPRESSURE: 3906000 -36.7901 169.085 -128.389 53.1497 -109.525 -176.136 -140.473 -12.0965 -10.9614 PRESSAVG: 3906000 -13.2696 -19.4857 4.36046 -19.4856 10.3499 -15.1544 4.36048 -15.1544 8.21159 GPRESSAVG: 3906000 -12.0329 -21.1948 5.64381 -17.1949 10.3078 -17.8978 4.45898 -10.8334 6.95323 TIMING: 3906000 CPU: 12343.7, 0.0031827/step Wall: 12343.7, 0.0031827/step, 0.967187 hours remaining, 236.406250 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: 3906000 4017.9066 20626.1603 14525.7973 258.0391 -203334.2555 2592.9372 0.0000 0.0000 52279.7752 -109033.6397 300.4526 -161313.4149 -108664.6525 300.4642 -81.1905 -52.4256 764346.5365 1.7640 1.7427 PRESSURE: 3906200 -68.0293 43.4627 83.5778 43.462 355.383 -267.942 83.5783 -267.942 242.524 GPRESSURE: 3906200 2.34008 -105.726 127.486 52.2104 395.307 -246.183 -24.7781 -147.746 179.616 PRESSAVG: 3906200 -64.5939 -5.13782 -17.3039 -5.13786 20.1801 0.876283 -17.3039 0.876241 -24.8445 GPRESSAVG: 3906200 -65.8635 -5.18402 -18.2263 -6.01467 20.7323 2.41654 -17.2737 0.642013 -24.1918 TIMING: 3906200 CPU: 12344.3, 0.00318852/step Wall: 12344.3, 0.00318852/step, 0.968778 hours remaining, 236.406250 MB of memory in use. ENERGY: 3906200 4036.3519 20655.0677 14435.4601 238.0191 -203183.4242 2621.5536 0.0000 0.0000 52138.0596 -109058.9121 299.6381 -161196.9717 -108692.6062 300.5566 176.6260 192.4211 761633.0279 -23.0861 -23.1076 PRESSURE: 3906400 306.746 62.5254 24.6987 62.5246 -120.613 -227.299 24.6984 -227.298 420.25 GPRESSURE: 3906400 349.145 -22.3229 114.939 -70.3298 -52.1676 -213.06 -18.4839 -189.716 412.636 PRESSAVG: 3906400 -29.0653 -18.716 -28.515 -18.716 11.015 -11.2953 -28.515 -11.2953 -1.30592 GPRESSAVG: 3906400 -28.8924 -19.8758 -28.346 -19.4895 11.015 -11.3185 -29.8341 -11.4941 -1.74618 TIMING: 3906400 CPU: 12345, 0.00317439/step Wall: 12345, 0.00317439/step, 0.96431 hours remaining, 236.406250 MB of memory in use. ENERGY: 3906400 3989.1032 20646.5759 14402.2276 235.2173 -203549.8842 2916.6799 0.0000 0.0000 52226.8713 -109133.2090 300.1485 -161360.0803 -108775.0640 300.5539 202.1274 236.5377 759408.5469 -6.4521 -6.5412 PRESSURE: 3906600 164.609 185.026 -213.891 185.026 96.7599 -146.124 -213.892 -146.124 17.7922 GPRESSURE: 3906600 117.028 144.858 -174.44 78.307 233.604 -83.9856 -77.2923 -176.257 34.3589 PRESSAVG: 3906600 -3.56086 50.0618 51.9636 50.0618 24.8556 41.4323 51.9636 41.4323 15.9915 GPRESSAVG: 3906600 -4.43676 52.7666 51.2708 48.6784 27.7226 41.4809 51.7601 40.2472 14.4769 TIMING: 3906600 CPU: 12345.6, 0.0031798/step Wall: 12345.6, 0.0031798/step, 0.965775 hours remaining, 236.406250 MB of memory in use. ENERGY: 3906600 4004.8976 20545.3415 14392.8530 254.6875 -203287.7461 2651.9312 0.0000 0.0000 52186.0118 -109252.0235 299.9137 -161438.0353 -108898.0420 300.2270 93.0536 128.3301 760315.8600 12.4288 12.5876 PRESSURE: 3906800 -418.957 158.359 -112.173 158.359 -155.389 125.16 -112.174 125.159 82.4176 GPRESSURE: 3906800 -350.167 95.1533 -71.3737 141.025 -123.3 28.7976 -109.191 154.105 46.0433 PRESSAVG: 3906800 -15.7767 24.8644 -27.7377 24.8644 43.3384 -28.9191 -27.7377 -28.9191 -14.4233 GPRESSAVG: 3906800 -15.9252 23.8494 -25.8769 25.588 41.0624 -27.2282 -27.8296 -30.4942 -12.1909 TIMING: 3906800 CPU: 12346.2, 0.00316241/step Wall: 12346.2, 0.00316241/step, 0.960318 hours remaining, 236.406250 MB of memory in use. ENERGY: 3906800 4038.9789 20424.0314 14362.4096 230.9283 -203263.4169 2574.8324 0.0000 0.0000 52531.1229 -109101.1134 301.8971 -161632.2363 -108727.4760 299.9246 -163.9761 -142.4746 760611.2820 4.3795 4.3154 PRESSURE: 3907000 -69.6274 -7.60781 98.7344 -7.60751 -28.0304 -31.4349 98.7342 -31.434 -207.894 GPRESSURE: 3907000 -30.1256 -16.5315 33.3845 -56.05 -44.4036 -25.2698 169.489 -40.5517 -183.259 PRESSAVG: 3907000 -10.7373 64.6497 36.4538 64.6497 18.3938 62.2381 36.4538 62.2382 8.30559 GPRESSAVG: 3907000 -11.3613 66.0982 35.5595 62.6424 19.3916 59.5503 36.8015 64.6397 7.43934 TIMING: 3907000 CPU: 12346.9, 0.00316817/step Wall: 12346.9, 0.00316817/step, 0.96189 hours remaining, 236.406250 MB of memory in use. ENERGY: 3907000 4035.9883 20640.7832 14422.5748 235.4313 -202828.0405 2445.4340 0.0000 0.0000 51875.2652 -109172.5638 298.1279 -161047.8290 -108817.3830 300.1329 -101.8505 -85.9296 760974.1091 5.3207 5.1566 PRESSURE: 3907200 348.54 -171.039 -125.53 -171.038 -270.614 130.05 -125.529 130.05 -259.244 GPRESSURE: 3907200 300.146 -57.3752 -67.9552 -148.549 -110.174 131.893 -153.853 115.062 -302.167 PRESSAVG: 3907200 -3.4675 -11.1244 -13.4454 -11.1244 -1.91133 44.5414 -13.4454 44.5414 -19.9224 GPRESSAVG: 3907200 -2.42378 -12.3279 -12.9193 -9.23632 -2.85033 46.9997 -13.6874 41.5575 -19.9365 TIMING: 3907200 CPU: 12347.5, 0.0031926/step Wall: 12347.5, 0.0031926/step, 0.969131 hours remaining, 236.406250 MB of memory in use. ENERGY: 3907200 3994.8923 20454.2493 14469.8775 244.4395 -203101.6532 2451.2992 0.0000 0.0000 52387.9006 -109098.9948 301.0740 -161486.8953 -108734.5579 299.5944 -60.4395 -37.3985 761274.9133 -8.4337 -8.4035 PRESSURE: 3907400 -65.2162 4.95991 12.4466 4.96052 201.533 -175.778 12.4453 -175.777 -125.012 GPRESSURE: 3907400 21.3085 154.222 71.8825 -47.0139 162.009 -143.467 -82.7587 -68.5628 -106.885 PRESSAVG: 3907400 17.769 5.6603 1.08448 5.66026 -20.3637 -0.199392 1.08443 -0.199429 -14.8579 GPRESSAVG: 3907400 17.5003 3.56473 -0.559377 4.77525 -20.2715 -1.94647 2.35783 3.67514 -14.6663 TIMING: 3907400 CPU: 12348.2, 0.0032106/step Wall: 12348.2, 0.0032106/step, 0.974416 hours remaining, 236.406250 MB of memory in use. ENERGY: 3907400 4029.1623 20418.5365 14494.9485 250.4868 -203052.4822 2401.9151 0.0000 0.0000 52379.6482 -109077.7847 301.0266 -161457.4329 -108718.0878 300.5907 3.7685 25.4775 761129.4149 -5.8175 -5.8125 PRESSURE: 3907600 348.09 -98.9858 -166.389 -98.9864 -326.581 314.762 -166.389 314.763 -23.1532 GPRESSURE: 3907600 323.414 -34.4014 -221.504 -128.105 -204.03 227.621 -223.621 219.301 -45.4695 PRESSAVG: 3907600 54.8956 -28.788 30.088 -28.788 -40.2581 -26.8814 30.088 -26.8813 -3.30665 GPRESSAVG: 3907600 53.8612 -28.2797 32.5458 -28.2782 -39.1114 -26.7751 29.38 -28.0183 -3.26877 TIMING: 3907600 CPU: 12348.8, 0.00319047/step Wall: 12348.8, 0.00319047/step, 0.96813 hours remaining, 236.406250 MB of memory in use. ENERGY: 3907600 4016.6784 20627.0689 14461.1984 240.4450 -203599.0691 2873.4406 0.0000 0.0000 52314.0393 -109066.1987 300.6495 -161380.2379 -108707.5226 300.4664 -0.5481 24.6382 760315.1232 3.7770 3.8270 PRESSURE: 3907800 -102.35 -17.7735 206.736 -17.7732 -123.322 -18.4413 206.737 -18.4405 9.37066 GPRESSURE: 3907800 -122.453 20.5173 185.687 68.4962 -59.3963 -7.00054 182.588 83.86 52.409 PRESSAVG: 3907800 5.99949 16.4597 -25.2857 16.4597 52.3455 5.21178 -25.2857 5.21181 -10.7515 GPRESSAVG: 3907800 4.88301 17.8889 -24.9754 17.3205 52.6941 6.79158 -26.1417 3.22073 -10.4386 TIMING: 3907800 CPU: 12349.4, 0.00318823/step Wall: 12349.4, 0.00318823/step, 0.967273 hours remaining, 236.406250 MB of memory in use. ENERGY: 3907800 4017.7403 20397.7024 14448.7057 265.5268 -202814.7009 2198.2162 0.0000 0.0000 52439.0932 -109047.7163 301.3682 -161486.8095 -108678.3500 300.3254 -72.1002 -43.1466 761487.3302 15.8645 15.7128 PRESSURE: 3908000 -468.567 -1.2847 57.1161 -1.28411 -405.889 -73.1825 57.116 -73.1828 -314.586 GPRESSURE: 3908000 -292.526 -40.6374 9.32576 0.952863 -441.454 -65.2419 23.266 3.93953 -346.209 PRESSAVG: 3908000 -7.89067 15.1431 -4.73272 15.1432 -13.8234 -7.07354 -4.73271 -7.07346 21.1009 GPRESSAVG: 3908000 -6.91321 15.7647 -6.46805 13.0462 -13.63 -6.9146 -3.75762 -3.96671 20.8167 TIMING: 3908000 CPU: 12350.1, 0.00319369/step Wall: 12350.1, 0.00319369/step, 0.968752 hours remaining, 236.406250 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: 3908000 4024.7908 20558.1479 14512.9896 232.1022 -202871.5446 2517.9815 0.0000 0.0000 51836.7983 -109188.7345 297.9068 -161025.5327 -108835.8476 300.1003 -396.3475 -360.0630 763599.2010 -0.2044 0.0911 PRESSURE: 3908200 -490.81 188.097 130.752 188.097 53.8425 345.171 130.752 345.171 -237.88 GPRESSURE: 3908200 -436.621 112.788 123.407 171.001 80.0812 463.307 52.7871 299.032 -233.593 PRESSAVG: 3908200 -67.9455 36.7927 3.88516 36.7927 20.4275 60.7075 3.88517 60.7076 -0.252185 GPRESSAVG: 3908200 -67.7318 34.5112 4.77719 37.5849 19.3607 59.9901 3.80155 60.3427 0.69395 TIMING: 3908200 CPU: 12350.7, 0.00318623/step Wall: 12350.7, 0.00318623/step, 0.966314 hours remaining, 236.406250 MB of memory in use. ENERGY: 3908200 4036.6220 20427.3874 14505.2642 252.6364 -202981.8097 2402.8264 0.0000 0.0000 52078.9917 -109278.0817 299.2987 -161357.0734 -108921.9778 299.8342 -224.9490 -196.7108 761983.1667 -15.9234 -15.8924 LDB: ============= START OF LOAD BALANCING ============== 12363.3 LDB: ============== END OF LOAD BALANCING =============== 12363.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12363.3 LDB: ============= START OF LOAD BALANCING ============== 12363.6 LDB: Largest compute 7076 load 0.032981 is 16.9% of average load 0.195665 LDB: Average compute 0.004353 is 2.2% of average load 0.195665 LDB: TIME 12363.6 LOAD: AVG 0.195665 MAX 0.213122 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.395 MB LDB: TIME 12363.6 LOAD: AVG 0.195665 MAX 0.213122 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: TIME 12363.6 LOAD: AVG 0.195665 MAX 0.213122 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.395 MB LDB: ============== END OF LOAD BALANCING =============== 12363.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12363.6 PRESSURE: 3908400 230.148 -35.5417 -108.791 -35.5416 -35.2927 -48.3182 -108.791 -48.3186 211.834 GPRESSURE: 3908400 269.162 -51.484 -64.016 -50.2794 22.6154 -16.0617 -57.8486 -63.5896 182.512 PRESSAVG: 3908400 29.4326 24.4801 2.13775 24.48 11.4463 -11.1019 2.13774 -11.1019 6.57063 GPRESSAVG: 3908400 30.528 26.5054 2.24378 24.8521 11.2718 -11.1142 3.31531 -12.871 5.53524 TIMING: 3908400 CPU: 12351.4, 0.00324108/step Wall: 12351.4, 0.00324108/step, 0.982767 hours remaining, 237.738281 MB of memory in use. ENERGY: 3908400 4016.3570 20698.1802 14460.1948 244.3622 -203633.6134 2761.6935 0.0000 0.0000 51978.7445 -109474.0812 298.7226 -161452.8257 -109115.5945 299.3197 135.5631 158.0965 761641.8119 15.8165 15.7783 PRESSURE: 3908600 21.4909 22.3867 206.165 22.3867 -66.8219 68.5851 206.165 68.585 -353.268 GPRESSURE: 3908600 -19.0022 27.6775 282.265 75.3621 -69.9403 4.15683 117.993 91.4392 -224.05 PRESSAVG: 3908600 6.47159 8.83088 -40.0458 8.83093 -36.7114 -9.18731 -40.0457 -9.1873 -12.7075 GPRESSAVG: 3908600 6.5529 6.67114 -40.4605 10.9504 -36.0586 -8.98301 -38.4294 -8.20097 -13.4558 TIMING: 3908600 CPU: 12352, 0.00317522/step Wall: 12352, 0.00317522/step, 0.962621 hours remaining, 237.941406 MB of memory in use. ENERGY: 3908600 4065.6755 20347.3781 14427.2530 255.5064 -202948.8226 2303.1281 0.0000 0.0000 52106.3780 -109443.5034 299.4561 -161549.8814 -109079.4179 298.6899 -132.8664 -104.3308 760669.5372 -14.3158 -14.3205 PRESSURE: 3908800 392.949 -177.538 155.839 -177.538 574.05 -155.971 155.838 -155.972 41.6284 GPRESSURE: 3908800 441.711 -131.227 226.302 -125.472 610.8 -183.098 -62.8808 -214.618 33.7804 PRESSAVG: 3908800 18.866 -0.16132 -63.8521 -0.161296 13.9498 40.5185 -63.8521 40.5185 -13.2089 GPRESSAVG: 3908800 18.7248 -0.181047 -63.7745 -4.95588 13.8229 40.8183 -65.9464 39.2907 -12.6139 TIMING: 3908800 CPU: 12352.6, 0.00319522/step Wall: 12352.6, 0.00319522/step, 0.968505 hours remaining, 238.199219 MB of memory in use. ENERGY: 3908800 3979.7842 20513.5950 14463.8575 246.1448 -203648.8187 2767.4378 0.0000 0.0000 52291.3829 -109386.6164 300.5193 -161677.9993 -109025.4367 299.1453 336.2090 362.0971 759757.2969 6.5356 6.6446 PRESSURE: 3909000 -236.007 177.494 110.01 177.494 98.0056 89.8487 110.01 89.8483 -73.1392 GPRESSURE: 3909000 -170.806 183.695 124.738 107.015 123.554 85.0968 185.426 -23.8572 -84.5499 PRESSAVG: 3909000 7.89727 -36.2594 -18.5657 -36.2594 -19.5201 -6.21608 -18.5657 -6.2161 17.7589 GPRESSAVG: 3909000 6.71532 -34.8011 -17.5024 -34.9421 -19.7887 -8.30144 -17.8043 -6.13539 19.0626 TIMING: 3909000 CPU: 12353.3, 0.00317956/step Wall: 12353.3, 0.00317956/step, 0.963582 hours remaining, 238.199219 MB of memory in use. ENERGY: 3909000 4066.9301 20461.2256 14527.7766 244.8674 -203416.7960 2609.9546 0.0000 0.0000 51886.3711 -109619.6706 298.1917 -161506.0417 -109259.3372 299.0115 -70.3802 -43.9339 760312.8958 2.0453 1.9964 PRESSURE: 3909200 58.5851 36.6788 84.965 36.6783 -157.003 92.5328 84.9653 92.5339 129.552 GPRESSURE: 3909200 116.148 33.3132 19.9187 91.6392 -92.3533 21.3731 -31.5999 59.989 108.713 PRESSAVG: 3909200 16.6812 -8.50278 10.25 -8.50278 -6.21556 10.595 10.2499 10.5951 1.63444 GPRESSAVG: 3909200 18.4458 -10.5996 9.1981 -7.56058 -6.09155 10.5896 7.90233 11.2579 -0.282125 TIMING: 3909200 CPU: 12353.9, 0.00317753/step Wall: 12353.9, 0.00317753/step, 0.96279 hours remaining, 238.199219 MB of memory in use. ENERGY: 3909200 3975.9322 20479.4315 14507.9490 243.7748 -204019.7906 3008.7710 0.0000 0.0000 52039.8920 -109764.0402 299.0740 -161803.9322 -109398.1768 298.5466 10.3780 44.1692 760237.8930 4.0334 4.0240 PRESSURE: 3909400 -68.2569 35.2097 -206.624 35.2088 -22.9162 -232.172 -206.624 -232.172 111.978 GPRESSURE: 3909400 -81.8544 -139.112 -108.69 68.0111 55.8831 -227.274 -108.061 -255.087 126.116 PRESSAVG: 3909400 23.0178 -18.1769 33.5009 -18.1769 -13.9929 -42.9808 33.5009 -42.9808 6.86452 GPRESSAVG: 3909400 21.4044 -17.3135 34.3487 -19.0096 -13.5698 -41.9314 35.2405 -43.0267 7.98435 TIMING: 3909400 CPU: 12354.5, 0.00317907/step Wall: 12354.5, 0.00317907/step, 0.963083 hours remaining, 238.199219 MB of memory in use. ENERGY: 3909400 3975.0023 20292.8960 14438.0451 248.5447 -203262.9830 2314.3493 0.0000 0.0000 51979.9538 -110014.1917 298.7295 -161994.1455 -109643.7837 298.3770 6.9348 33.3815 760315.6699 5.2965 5.2730 PRESSURE: 3909600 -398.694 -140.097 166.135 -140.098 48.4646 179.848 166.135 179.847 65.0305 GPRESSURE: 3909600 -367.117 -121.866 216.868 -59.3065 38.8115 104.39 34.5733 196.866 133.844 PRESSAVG: 3909600 9.88952 9.161 -22.1485 9.16101 3.40852 22.7531 -22.1485 22.753 -14.5013 GPRESSAVG: 3909600 10.3878 10.2853 -21.3976 10.4815 3.55735 22.3744 -22.7185 23.508 -15.323 TIMING: 3909600 CPU: 12355.2, 0.00319575/step Wall: 12355.2, 0.00319575/step, 0.967958 hours remaining, 238.199219 MB of memory in use. ENERGY: 3909600 3998.8947 20524.1270 14436.5878 237.5505 -203004.7983 2194.4001 0.0000 0.0000 51664.0969 -109949.1415 296.9143 -161613.2383 -109585.6902 298.4749 -95.0662 -64.8206 761262.2627 -0.4011 -0.4593 PRESSURE: 3909800 -206.435 -315.432 -429.777 -315.431 -9.14356 103.276 -429.778 103.276 233.38 GPRESSURE: 3909800 -193.998 -503.874 -403.059 -205.17 3.44146 78.292 -200.252 181.239 260.386 PRESSAVG: 3909800 -28.5075 -76.6767 -11.1756 -76.6766 20.2979 -2.69314 -11.1756 -2.69315 16.7505 GPRESSAVG: 3909800 -27.7107 -76.4296 -13.4256 -75.8026 18.1391 -2.45517 -10.8346 -2.54997 17.6479 TIMING: 3909800 CPU: 12355.8, 0.00315448/step Wall: 12355.8, 0.00315448/step, 0.955283 hours remaining, 238.199219 MB of memory in use. ENERGY: 3909800 3980.2729 20488.3781 14416.1703 251.6129 -203195.3204 2322.7995 0.0000 0.0000 51843.3261 -109892.7606 297.9443 -161736.0866 -109529.4372 298.2394 5.9337 23.2764 759928.4458 2.8470 2.6921 PRESSURE: 3910000 -341.377 -107.352 -57.8297 -107.353 230.364 199.43 -57.8309 199.429 395.052 GPRESSURE: 3910000 -294.338 -103.43 -61.6393 -48.6125 298.187 198.928 -122.08 149.318 354.471 PRESSAVG: 3910000 -47.3878 -51.4404 -27.8079 -51.4404 35.611 -6.7693 -27.8079 -6.76935 4.03512 GPRESSAVG: 3910000 -48.1023 -48.5053 -26.6726 -54.787 37.6103 -6.42894 -28.8751 -7.69535 2.76992 TIMING: 3910000 CPU: 12356.4, 0.00317026/step Wall: 12356.4, 0.00317026/step, 0.959885 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: 3910000 3988.6581 20596.3427 14473.4299 249.2179 -203402.8272 2443.3851 0.0000 0.0000 51727.2212 -109924.5723 297.2771 -161651.7935 -109580.5199 298.1077 94.6797 119.4401 761454.6482 -2.5806 -2.5740 PRESSURE: 3910200 -250.913 -16.7077 -41.7538 -16.7077 -107.077 141.624 -41.7536 141.625 40.1797 GPRESSURE: 3910200 -127.371 -63.076 -43.3288 -7.24696 -160.085 9.29123 -28.1457 5.22594 53.7897 PRESSAVG: 3910200 -43.5752 -7.14444 18.0858 -7.1444 19.9325 17.8477 18.0858 17.8476 -8.53283 GPRESSAVG: 3910200 -43.3996 -9.15995 17.9663 -6.72643 18.9631 18.4648 20.0621 16.8466 -8.0968 TIMING: 3910200 CPU: 12357.1, 0.00317267/step Wall: 12357.1, 0.00317267/step, 0.960437 hours remaining, 238.199219 MB of memory in use. ENERGY: 3910200 3988.6262 20440.2852 14422.8470 257.7555 -203251.0451 2429.7612 0.0000 0.0000 51774.3896 -109937.3804 297.5481 -161711.7700 -109590.3767 298.2571 -105.9366 -77.8886 761836.3714 -10.7252 -10.8444 PRESSURE: 3910400 -13.6474 -121.991 -54.5713 -121.992 40.2383 -180.91 -54.5721 -180.912 -53.9191 GPRESSURE: 3910400 -36.8386 21.433 -4.17908 -206.068 73.9167 -79.8003 82.3075 -48.7836 37.2271 PRESSAVG: 3910400 13.8351 3.88473 -21.1284 3.88475 29.5866 55.4554 -21.1284 55.4554 23.9507 GPRESSAVG: 3910400 13.2016 4.85831 -23.0085 4.54051 30.1744 54.9195 -21.9737 57.336 24.6063 TIMING: 3910400 CPU: 12357.7, 0.00318156/step Wall: 12357.7, 0.00318156/step, 0.962953 hours remaining, 238.199219 MB of memory in use. ENERGY: 3910400 4024.0371 20306.9063 14422.1798 228.5643 -203516.2319 2647.3483 0.0000 0.0000 51998.9103 -109888.2859 298.8385 -161887.1962 -109530.0538 297.8724 -9.1094 24.7684 760453.3458 22.4575 22.6608 PRESSURE: 3910600 -186.286 45.3152 -173.168 45.315 1.018 111.251 -173.167 111.251 -70.7201 GPRESSURE: 3910600 -47.8093 -12.8386 -182.072 -24.5286 -27.7156 175.787 -114.856 159.374 -84.1203 PRESSAVG: 3910600 -42.4153 63.9907 -51.7662 63.9907 68.6865 17.2219 -51.7662 17.2219 2.90262 GPRESSAVG: 3910600 -41.8776 62.9886 -50.2655 63.5356 68.6355 17.5143 -52.1802 16.7238 2.66365 TIMING: 3910600 CPU: 12358.4, 0.00317929/step Wall: 12358.4, 0.00317929/step, 0.962089 hours remaining, 238.199219 MB of memory in use. ENERGY: 3910600 3996.0843 20447.7199 14474.6617 238.0429 -203919.2116 2867.0889 0.0000 0.0000 52146.6456 -109748.9683 299.6875 -161895.6139 -109380.5837 298.3339 -85.3294 -53.2151 759066.7728 9.7246 9.8072 PRESSURE: 3910800 -411.008 -231.812 78.4695 -231.812 -77.6731 11.6858 78.4693 11.6853 -54.8389 GPRESSURE: 3910800 -337.029 -193.323 68.4241 -256.915 -115.721 -52.6104 -67.3947 -26.4204 6.28433 PRESSAVG: 3910800 -20.9881 21.4839 -17.1314 21.4839 62.133 -26.9248 -17.1314 -26.9248 4.64636 GPRESSAVG: 3910800 -19.9151 20.6918 -16.8028 22.5191 61.1669 -25.2751 -17.7687 -28.9452 4.16281 TIMING: 3910800 CPU: 12359, 0.00316752/step Wall: 12359, 0.00316752/step, 0.958351 hours remaining, 238.199219 MB of memory in use. ENERGY: 3910800 4020.3156 20459.5694 14511.5236 252.2725 -203314.5186 2626.8270 0.0000 0.0000 51925.3588 -109518.6516 298.4158 -161444.0104 -109158.7640 298.6912 -181.1732 -148.8218 761677.0996 15.2637 15.1382 PRESSURE: 3911000 -300.401 80.1604 94.7223 80.1603 -120.406 -19.8481 94.7217 -19.8479 -359.562 GPRESSURE: 3911000 -199.71 -10.5346 0.69012 22.3757 -173.465 4.43059 34.8819 49.1532 -367.596 PRESSAVG: 3911000 -42.5391 28.9885 -24.0842 28.9885 2.60587 -1.17505 -24.0842 -1.17506 2.9326 GPRESSAVG: 3911000 -43.5565 28.7636 -23.2402 28.6708 3.49053 -1.83808 -25.1356 -0.286064 2.76338 TIMING: 3911000 CPU: 12359.6, 0.00316144/step Wall: 12359.6, 0.00316144/step, 0.956335 hours remaining, 238.199219 MB of memory in use. ENERGY: 3911000 3988.0179 20572.0627 14462.7317 256.4113 -202828.8726 2419.7420 0.0000 0.0000 51740.5783 -109389.3288 297.3538 -161129.9071 -109023.9569 298.5594 -260.1229 -246.9235 762174.6983 -12.3335 -12.4342 PRESSURE: 3911200 -284.608 -33.8876 68.1175 -33.8866 -286.978 271.212 68.1163 271.212 -194.921 GPRESSURE: 3911200 -317.698 -96.0188 44.498 -23.4645 -147.582 260.429 -2.08349 91.6212 -231.157 PRESSAVG: 3911200 -59.0062 -17.4516 -2.38328 -17.4516 48.5461 3.03119 -2.38329 3.03113 -13.4709 GPRESSAVG: 3911200 -59.4463 -15.4925 -4.85424 -18.1592 48.1869 2.99943 -1.74355 2.22981 -12.2357 TIMING: 3911200 CPU: 12360.3, 0.00316739/step Wall: 12360.3, 0.00316739/step, 0.957959 hours remaining, 238.199219 MB of memory in use. ENERGY: 3911200 3991.1574 20563.7953 14556.4750 265.7790 -203191.7518 2538.3649 0.0000 0.0000 51891.7775 -109384.4026 298.2228 -161276.1801 -109028.1766 298.8766 -255.5024 -232.1461 762587.5124 -7.9770 -7.8317 PRESSURE: 3911400 -224.428 42.9651 -120.016 42.9652 86.239 115.315 -120.016 115.315 -20.4993 GPRESSURE: 3911400 -195.397 49.8775 -97.5448 -20.0818 97.9554 135.255 -69.0152 142.938 32.8098 PRESSAVG: 3911400 -36.1141 -2.8289 -17.2965 -2.8289 35.968 74.1685 -17.2965 74.1684 7.68162 GPRESSAVG: 3911400 -36.9803 -1.39499 -16.1629 -1.7969 37.7264 74.8578 -16.089 75.6416 6.65501 TIMING: 3911400 CPU: 12360.9, 0.00318026/step Wall: 12360.9, 0.00318026/step, 0.961674 hours remaining, 238.199219 MB of memory in use. ENERGY: 3911400 3943.0684 20571.9004 14494.0149 233.4671 -203295.2362 2636.7357 0.0000 0.0000 51949.4101 -109466.6396 298.5540 -161416.0497 -109101.2453 298.8189 -52.8961 -21.5439 761448.9334 2.5119 2.4670 PRESSURE: 3911600 -400.892 -68.1175 300.196 -68.1177 25.9956 255.396 300.196 255.395 -275.755 GPRESSURE: 3911600 -320.912 -76.8063 242.881 -100.564 6.82715 125.119 246.906 284.153 -262.389 PRESSAVG: 3911600 -37.4881 -24.6502 34.4486 -24.6502 15.5228 24.3042 34.4486 24.3042 -0.366935 GPRESSAVG: 3911600 -36.7361 -25.9688 34.0259 -24.996 14.0386 23.7487 36.6905 22.5209 0.6281 TIMING: 3911600 CPU: 12361.5, 0.00318758/step Wall: 12361.5, 0.00318758/step, 0.963711 hours remaining, 238.199219 MB of memory in use. ENERGY: 3911600 4064.5392 20674.9119 14478.1493 241.2018 -203077.7517 2460.3743 0.0000 0.0000 51782.7497 -109375.8256 297.5962 -161158.5753 -109014.3869 298.8338 -216.8839 -192.1581 761633.8673 -7.4441 -7.3565 PRESSURE: 3911800 19.1218 72.6959 -38.178 72.6967 254.352 74.3367 -38.1775 74.338 492.996 GPRESSURE: 3911800 30.7289 169.059 -21.9353 -15.8335 291.268 110.716 -83.2572 -17.0037 538.191 PRESSAVG: 3911800 -13.811 -25.7157 -23.0861 -25.7158 -1.28835 40.8657 -23.086 40.8657 0.729516 GPRESSAVG: 3911800 -13.8028 -27.1767 -21.9068 -24.1608 -2.38232 40.0198 -26.9281 38.5362 1.38272 TIMING: 3911800 CPU: 12362.2, 0.00318248/step Wall: 12362.2, 0.00318248/step, 0.961992 hours remaining, 238.199219 MB of memory in use. ENERGY: 3911800 3901.6116 20496.8866 14443.0215 252.6567 -203268.4343 2553.1339 0.0000 0.0000 52423.9550 -109197.1690 301.2812 -161621.1240 -108826.8396 299.5045 255.4900 286.7292 761130.8798 -4.7899 -4.9341 PRESSURE: 3912000 -253.253 -39.4549 88.4787 -39.455 -605.362 60.9141 88.4783 60.9144 80.6824 GPRESSURE: 3912000 -153.077 -11.6914 100.868 -115.968 -601.733 -27.3737 175.014 121.265 73.8908 PRESSAVG: 3912000 -79.032 -12.7155 -22.6914 -12.7155 34.733 12.7591 -22.6914 12.7591 15.9146 GPRESSAVG: 3912000 -78.2037 -11.253 -21.6687 -13.4296 35.7997 12.5054 -20.1894 16.591 14.0527 TIMING: 3912000 CPU: 12362.8, 0.00318547/step Wall: 12362.8, 0.00318547/step, 0.962719 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: 3912000 3976.4921 20492.2956 14508.3748 262.4510 -202611.7658 2163.7869 0.0000 0.0000 51928.5790 -109279.7864 298.4343 -161208.3653 -108914.0898 299.9435 -259.3110 -226.9728 762125.2207 -9.4614 -9.4504 PRESSURE: 3912200 -115.429 107.998 -192.964 107.997 82.6959 184.604 -192.964 184.603 84.5117 GPRESSURE: 3912200 -75.5757 43.097 -237.775 22.087 144.292 246.628 -246.619 94.8028 77.5787 PRESSAVG: 3912200 8.17256 -31.2559 -24.1364 -31.2559 0.048123 80.076 -24.1364 80.076 4.18003 GPRESSAVG: 3912200 6.86709 -30.2067 -26.3956 -32.2768 0.41049 80.1615 -25.1369 79.1156 4.87492 TIMING: 3912200 CPU: 12363.4, 0.00317998/step Wall: 12363.4, 0.00317998/step, 0.960885 hours remaining, 238.199219 MB of memory in use. ENERGY: 3912200 4017.7599 20600.9783 14395.4125 254.5896 -203167.9244 2363.6658 0.0000 0.0000 52387.2091 -109148.3091 301.0700 -161535.5182 -108787.6951 299.7979 17.2595 48.7651 760737.2245 4.1336 4.0508 LDB: ============= START OF LOAD BALANCING ============== 12376 LDB: ============== END OF LOAD BALANCING =============== 12376 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12376 LDB: ============= START OF LOAD BALANCING ============== 12376.3 LDB: Largest compute 7076 load 0.033609 is 17.2% of average load 0.195683 LDB: Average compute 0.004367 is 2.2% of average load 0.195683 LDB: TIME 12376.3 LOAD: AVG 0.195683 MAX 0.21304 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.812 MB LDB: TIME 12376.3 LOAD: AVG 0.195683 MAX 0.21304 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.016 MB LDB: TIME 12376.3 LOAD: AVG 0.195683 MAX 0.21304 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.016 MB LDB: ============== END OF LOAD BALANCING =============== 12376.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12376.3 PRESSURE: 3912400 -105.764 131.917 172.196 131.917 80.1322 37.9902 172.197 37.9886 -201.161 GPRESSURE: 3912400 -183.4 173.6 192.505 37.0777 104.071 -3.66731 94.7921 -43.8552 -64.564 PRESSAVG: 3912400 8.83484 -22.0309 -34.0827 -22.0309 21.2725 -38.6274 -34.0826 -38.6274 -30.0273 GPRESSAVG: 3912400 8.3894 -23.9232 -32.6275 -20.9752 21.7082 -37.9545 -33.3646 -40.3826 -29.4469 TIMING: 3912400 CPU: 12364.1, 0.0032572/step Wall: 12364.1, 0.0032572/step, 0.984037 hours remaining, 235.960938 MB of memory in use. ENERGY: 3912400 4069.9561 20672.4613 14503.2329 255.5145 -203108.7088 2491.4322 0.0000 0.0000 52034.4155 -109081.6964 299.0425 -161116.1119 -108711.2982 299.9407 -75.5977 -47.9642 761813.7218 0.0267 0.2169 PRESSURE: 3912600 -165.289 -207.384 -26.9101 -207.383 228.267 -22.5535 -26.9096 -22.5547 -392.547 GPRESSURE: 3912600 -45.5796 -220.511 -34.2511 -198.322 68.5519 28.2851 82.1242 127.675 -268.162 PRESSAVG: 3912600 17.1854 -42.3592 17.3371 -42.3591 10.7709 23.2027 17.3372 23.2027 26.8419 GPRESSAVG: 3912600 18.2477 -42.5297 16.1866 -42.9862 9.36974 24.2206 15.7632 26.1727 27.0552 TIMING: 3912600 CPU: 12364.7, 0.00317936/step Wall: 12364.7, 0.00317936/step, 0.960345 hours remaining, 236.457031 MB of memory in use. ENERGY: 3912600 4010.3543 20613.4434 14448.0062 228.3495 -203266.6807 2504.3392 0.0000 0.0000 52345.2859 -109116.9022 300.8291 -161462.1881 -108749.0122 300.2723 -109.8562 -81.7298 760899.1371 18.2661 18.2242 PRESSURE: 3912800 212.393 -84.9573 -109.249 -84.9575 -396.662 -17.9851 -109.249 -17.9847 -52.8518 GPRESSURE: 3912800 166.382 -96.9507 -52.2921 -93.9966 -215.415 -122.758 -94.942 -12.9185 -99.3147 PRESSAVG: 3912800 -5.40069 -18.5095 4.63628 -18.5096 -5.74766 -3.76766 4.63628 -3.76763 22.7642 GPRESSAVG: 3912800 -6.35967 -19.4828 5.17217 -17.0557 -3.75785 -4.67116 3.82683 -2.85091 21.2271 TIMING: 3912800 CPU: 12365.4, 0.00317075/step Wall: 12365.4, 0.00317075/step, 0.957566 hours remaining, 236.457031 MB of memory in use. ENERGY: 3912800 3996.1910 20522.1223 14456.5883 226.5811 -203314.6143 2505.3630 0.0000 0.0000 52302.8824 -109304.8863 300.5854 -161607.7687 -108946.9201 300.1258 -79.0403 -49.4494 759574.5845 3.8719 3.7032 PRESSURE: 3913000 -163.174 44.954 276.443 44.954 62.8289 -77.7985 276.444 -77.8001 259.072 GPRESSURE: 3913000 -161.853 36.0613 159.723 -169.849 0.134877 -80.7297 198.866 -54.7935 414.863 PRESSAVG: 3913000 -15.2703 -75.986 34.4498 -75.9859 -8.21154 -26.0661 34.4498 -26.0662 -20.2252 GPRESSAVG: 3913000 -14.305 -76.5665 32.1253 -76.8464 -9.94971 -26.9811 34.7591 -27.1001 -18.5449 TIMING: 3913000 CPU: 12366, 0.00319424/step Wall: 12366, 0.00319424/step, 0.964483 hours remaining, 236.457031 MB of memory in use. ENERGY: 3913000 4018.8529 20480.6088 14504.6374 255.5235 -203154.7321 2344.0801 0.0000 0.0000 52313.9874 -109237.0420 300.6492 -161551.0294 -108865.5632 299.6960 52.9089 84.3816 760947.5048 -14.5690 -14.2665 PRESSURE: 3913200 -13.875 -81.0467 47.3979 -81.0471 -51.2827 -74.3658 47.3981 -74.3654 120.278 GPRESSURE: 3913200 30.4317 0.869529 52.8249 43.8462 -13.1675 -5.67176 123.503 18.6118 119.948 PRESSAVG: 3913200 32.5534 -30.7282 -15.3427 -30.7281 4.71734 -24.5333 -15.3427 -24.5332 12.4466 GPRESSAVG: 3913200 32.0154 -28.6002 -13.9325 -32.3109 5.16009 -22.1877 -13.7423 -24.2336 13.1934 TIMING: 3913200 CPU: 12366.6, 0.00317312/step Wall: 12366.6, 0.00317312/step, 0.957929 hours remaining, 236.441406 MB of memory in use. ENERGY: 3913200 3991.3752 20427.4169 14486.5766 255.3701 -203124.7814 2603.8050 0.0000 0.0000 52021.6336 -109338.6040 298.9690 -161360.2376 -108975.1467 299.5760 18.3734 45.7373 760356.2931 16.5724 16.7896 PRESSURE: 3913400 154.849 36.5012 -108.644 36.5018 -24.9515 -152.397 -108.644 -152.397 260.242 GPRESSURE: 3913400 132.924 26.5769 -112.908 -21.0159 98.6447 -209.639 -225.636 46.618 222.338 PRESSAVG: 3913400 23.1253 -2.54944 -65.2958 -2.54941 -27.4571 14.1792 -65.2958 14.1792 6.36851 GPRESSAVG: 3913400 24.3446 -2.69909 -65.3711 -2.50839 -26.5651 11.6427 -68.038 14.0423 4.72419 TIMING: 3913400 CPU: 12367.3, 0.00319762/step Wall: 12367.3, 0.00319762/step, 0.965147 hours remaining, 236.441406 MB of memory in use. ENERGY: 3913400 3993.5313 20408.2197 14536.4901 236.0299 -203481.4151 2734.6969 0.0000 0.0000 52374.9271 -109197.5201 300.9994 -161572.4472 -108827.1413 299.3878 130.0466 151.3021 760903.0953 0.6789 0.8346 PRESSURE: 3913600 -16.0451 52.3251 40.3279 52.3255 -251.607 48.3538 40.3276 48.3541 116.267 GPRESSURE: 3913600 -41.4846 27.7904 -2.99478 -59.2692 -210.799 -25.3874 63.8134 58.2778 163.67 PRESSAVG: 3913600 44.3661 12.1025 -9.28385 12.1026 2.1535 8.57262 -9.28382 8.57264 0.450895 GPRESSAVG: 3913600 42.7642 13.0417 -9.36728 11.4963 1.84874 9.26701 -8.47368 7.41749 2.77429 TIMING: 3913600 CPU: 12367.9, 0.00318757/step Wall: 12367.9, 0.00318757/step, 0.961938 hours remaining, 236.441406 MB of memory in use. ENERGY: 3913600 4083.6451 20493.4572 14536.5199 245.6580 -203217.5068 2628.0001 0.0000 0.0000 52058.4881 -109171.7385 299.1808 -161230.2266 -108809.6033 300.0898 -50.4617 -29.5376 761205.4453 15.6568 15.7957 PRESSURE: 3913800 -204.533 -26.5299 135.803 -26.5298 188.042 -7.12004 135.803 -7.1195 -39.1185 GPRESSURE: 3913800 -79.3323 -117.054 132.299 -18.1997 174.942 -12.1249 301.49 -16.7779 -49.194 PRESSAVG: 3913800 20.8148 -21.6058 42.8377 -21.6058 2.14956 -11.5107 42.8377 -11.5106 11.1494 GPRESSAVG: 3913800 22.8403 -23.8887 44.1972 -18.5419 1.81319 -10.7981 43.8948 -11.273 10.3387 TIMING: 3913800 CPU: 12368.5, 0.00317083/step Wall: 12368.5, 0.00317083/step, 0.95671 hours remaining, 236.441406 MB of memory in use. ENERGY: 3913800 3992.1328 20638.4045 14573.2161 261.5511 -203234.2092 2520.0420 0.0000 0.0000 52079.4188 -109169.4438 299.3011 -161248.8626 -108823.3606 299.8285 -18.5364 15.4720 759842.5180 11.3713 11.6641 PRESSURE: 3914000 22.636 -76.3881 199.226 -76.3879 -92.2351 -82.2239 199.226 -82.2241 -68.2494 GPRESSURE: 3914000 82.3557 -89.1673 193.887 -50.1056 -43.3619 -117.308 237.776 -120.153 -76.1635 PRESSAVG: 3914000 38.4694 12.6202 28.5781 12.6203 12.262 12.8061 28.5781 12.8061 -12.4148 GPRESSAVG: 3914000 38.5911 12.9486 24.711 9.98834 12.8289 12.9442 30.2537 13.1358 -13.2279 TIMING: 3914000 CPU: 12369.2, 0.00315495/step Wall: 12369.2, 0.00315495/step, 0.951742 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: 3914000 4037.4570 20463.3199 14476.4981 265.0705 -203102.6325 2220.1917 0.0000 0.0000 52328.0023 -109312.0930 300.7297 -161640.0952 -108946.6995 299.9095 -45.9495 -12.3899 760097.9560 12.7722 12.7307 PRESSURE: 3914200 21.5106 -168.635 -154.886 -168.634 -129.854 103.106 -154.885 103.106 -16.1662 GPRESSURE: 3914200 99.6856 -152.071 2.19449 -86.1935 -133.864 75.806 -135.924 -27.4271 -8.89861 PRESSAVG: 3914200 36.8974 -22.2059 24.3468 -22.2059 -26.7742 7.35998 24.3468 7.35997 18.4 GPRESSAVG: 3914200 36.2534 -20.2596 26.4758 -22.149 -26.1851 6.75824 22.7144 8.44983 19.5626 TIMING: 3914200 CPU: 12369.8, 0.00318087/step Wall: 12369.8, 0.00318087/step, 0.959386 hours remaining, 236.457031 MB of memory in use. ENERGY: 3914200 4016.4629 20491.9158 14540.9669 250.3912 -203559.0203 2611.7084 0.0000 0.0000 52200.6509 -109446.9243 299.9979 -161647.5752 -109072.6603 299.4381 -41.5033 -14.3589 759211.5978 9.5077 9.8769 PRESSURE: 3914400 -107.011 102.914 84.6896 102.913 172.317 93.0793 84.6901 93.0791 106.954 GPRESSURE: 3914400 -15.2468 88.6583 128.268 82.2649 191.055 138.812 66.318 -55.0332 85.382 PRESSAVG: 3914400 33.2677 -6.16985 -1.4952 -6.16981 -27.9735 20.4624 -1.49521 20.4624 15.7797 GPRESSAVG: 3914400 33.0256 -5.85894 -1.33903 -5.77147 -27.1363 19.6142 -0.786921 19.2097 15.5142 TIMING: 3914400 CPU: 12370.4, 0.00317626/step Wall: 12370.4, 0.00317626/step, 0.957818 hours remaining, 236.457031 MB of memory in use. ENERGY: 3914400 3932.1544 20593.8752 14438.8601 258.2216 -203483.3558 2802.8649 0.0000 0.0000 52110.9517 -109346.4279 299.4824 -161457.3796 -108979.2386 299.5394 57.4201 87.0634 761402.4644 7.0246 7.1345 PRESSURE: 3914600 -121.682 -148.478 281.411 -148.478 -80.7432 -107.444 281.412 -107.441 -345.992 GPRESSURE: 3914600 -57.8783 -110.774 210.603 -149.906 -63.5768 -126.558 257.042 -128.959 -355.61 PRESSAVG: 3914600 -24.4966 -17.5388 31.3511 -17.5388 -15.8241 -13.9636 31.3511 -13.9636 7.94719 GPRESSAVG: 3914600 -24.0877 -19.0949 30.507 -16.0166 -15.9396 -13.4687 31.2552 -15.2685 8.48774 TIMING: 3914600 CPU: 12371.1, 0.00317404/step Wall: 12371.1, 0.00317404/step, 0.956973 hours remaining, 236.457031 MB of memory in use. ENERGY: 3914600 4027.9872 20450.4779 14462.9142 240.3439 -203238.3071 2494.3289 0.0000 0.0000 52014.4474 -109547.8075 298.9277 -161562.2550 -109182.6910 298.8153 -182.8056 -159.0216 762470.7750 -10.7912 -10.5132 PRESSURE: 3914800 -80.7653 76.7687 92.0917 76.7686 -25.5525 -74.6682 92.0928 -74.6675 -10.9439 GPRESSURE: 3914800 -26.1059 139.926 72.9255 60.4221 -38.0094 -122.041 82.8763 -32.2117 8.97108 PRESSAVG: 3914800 -60.9545 5.71401 -18.4846 5.71396 11.1039 1.45323 -18.4846 1.45322 9.04781 GPRESSAVG: 3914800 -60.6842 6.55723 -17.5088 4.14315 9.79281 1.65741 -18.0472 2.22546 10.2475 TIMING: 3914800 CPU: 12371.7, 0.00315864/step Wall: 12371.7, 0.00315864/step, 0.952153 hours remaining, 236.457031 MB of memory in use. ENERGY: 3914800 3958.5209 20588.1740 14502.8034 253.7906 -203346.1917 2625.4062 0.0000 0.0000 51961.8533 -109455.6434 298.6255 -161417.4967 -109085.5198 298.3770 -39.0872 -18.3814 760722.9105 -13.6009 -13.5480 PRESSURE: 3915000 -130.997 44.1895 -83.2729 44.1896 -20.5966 9.59494 -83.272 9.59544 182.005 GPRESSURE: 3915000 -53.2897 80.6522 -32.0283 -112.141 1.13924 -9.76606 -114.735 182.577 163.302 PRESSAVG: 3915000 12.7942 10.7753 -7.61248 10.7753 18.0795 30.8108 -7.61249 30.8109 6.78359 GPRESSAVG: 3915000 12.7765 10.0014 -8.48402 11.0639 19.8131 30.8759 -8.53738 31.9551 4.58797 TIMING: 3915000 CPU: 12372.3, 0.00316385/step Wall: 12372.3, 0.00316385/step, 0.953549 hours remaining, 236.425781 MB of memory in use. ENERGY: 3915000 4030.6285 20475.7211 14457.0517 235.2816 -203372.4913 2718.1876 0.0000 0.0000 52315.1793 -109140.4415 300.6561 -161455.6207 -108782.4757 299.5168 10.1373 37.0506 759998.1003 12.5524 12.3925 PRESSURE: 3915200 274.689 71.542 -197.669 71.5433 239.842 254.724 -197.67 254.724 373.726 GPRESSURE: 3915200 294.907 14.548 -266.13 99.3525 292.437 187.38 -272.188 290.69 383.236 PRESSAVG: 3915200 -20.0847 3.94876 -14.9518 3.94877 53.1117 15.1692 -14.9518 15.1692 -6.75999 GPRESSAVG: 3915200 -20.7151 3.8973 -14.6292 3.68434 52.8745 13.8767 -16.3852 15.7126 -5.94407 TIMING: 3915200 CPU: 12373, 0.00315298/step Wall: 12373, 0.00315298/step, 0.950098 hours remaining, 236.457031 MB of memory in use. ENERGY: 3915200 4010.5081 20493.5119 14535.2445 264.3283 -203625.0502 2925.4621 0.0000 0.0000 52217.0960 -109178.8993 300.0924 -161395.9953 -108817.1723 299.3773 296.0855 323.5266 760351.9093 8.7557 8.7384 PRESSURE: 3915400 -93.7613 -38.8691 -362.821 -38.8696 -36.2715 -19.6419 -362.821 -19.6422 166.92 GPRESSURE: 3915400 -69.9593 90.3965 -302.01 -4.03727 24.7735 -17.8438 -362.408 -116.848 155.82 PRESSAVG: 3915400 -89.7152 -10.4695 -69.2829 -10.4694 52.0467 22.9316 -69.2829 22.9316 -18.6839 GPRESSAVG: 3915400 -89.9608 -9.36936 -69.1723 -9.79723 51.4996 23.2816 -67.8796 22.8007 -17.9038 TIMING: 3915400 CPU: 12373.6, 0.00314735/step Wall: 12373.6, 0.00314735/step, 0.948225 hours remaining, 236.457031 MB of memory in use. ENERGY: 3915400 3963.0929 20580.7879 14494.4574 251.7966 -202946.8404 2404.6063 0.0000 0.0000 52144.8033 -109107.2960 299.6769 -161252.0993 -108753.7641 299.5404 12.2959 36.8780 760665.9519 -18.7841 -18.7883 PRESSURE: 3915600 -381.906 -81.6388 -36.8214 -81.6386 -77.7354 -244.588 -36.8221 -244.588 -27.6915 GPRESSURE: 3915600 -261.878 -66.8831 18.814 -87.4264 -89.4099 -291.842 -60.3603 -230.184 -68.5635 PRESSAVG: 3915600 29.5145 -25.8819 -15.109 -25.8819 -2.03607 -14.2413 -15.109 -14.2413 8.20259 GPRESSAVG: 3915600 29.775 -26.9221 -15.4929 -25.746 -2.17033 -14.5118 -14.9797 -14.1096 7.70869 TIMING: 3915600 CPU: 12374.2, 0.00315503/step Wall: 12374.2, 0.00315503/step, 0.950364 hours remaining, 236.457031 MB of memory in use. ENERGY: 3915600 3956.7873 20486.8487 14461.4463 271.4544 -202799.7772 2401.3581 0.0000 0.0000 52052.6494 -109169.2330 299.1473 -161221.8824 -108806.3111 299.0854 -162.4442 -139.9506 761454.4355 11.8937 11.7711 PRESSURE: 3915800 86.7774 -124.914 179.246 -124.915 94.7713 -96.7821 179.247 -96.7824 212.762 GPRESSURE: 3915800 53.3671 -149.312 134.852 -189.734 176.087 -16.5913 13.3983 2.82748 241.432 PRESSAVG: 3915800 -11.7304 -27.7378 -21.8917 -27.7378 19.7262 30.4175 -21.8917 30.4175 17.1054 GPRESSAVG: 3915800 -12.7646 -27.0936 -21.2838 -27.9241 20.2981 31.5819 -23.9474 30.0425 17.1545 TIMING: 3915800 CPU: 12374.9, 0.0031504/step Wall: 12374.9, 0.00315041/step, 0.948797 hours remaining, 236.457031 MB of memory in use. ENERGY: 3915800 3950.6645 20442.6582 14560.0936 238.6975 -203041.9001 2479.4117 0.0000 0.0000 51891.4252 -109478.9493 298.2207 -161370.3745 -109120.3438 299.0985 131.4370 156.9622 762152.7414 8.3671 8.2293 PRESSURE: 3916000 142.96 -210.669 -161.683 -210.669 -174.375 -369.854 -161.683 -369.854 -508.674 GPRESSURE: 3916000 59.3958 -219.677 -175.401 -271.528 -43.2208 -253.542 -4.05685 -330.414 -462.096 PRESSAVG: 3916000 21.0692 -51.6105 13.3642 -51.6105 -20.7034 -20.0073 13.3641 -20.0073 -18.4082 GPRESSAVG: 3916000 20.3445 -53.8558 14.3407 -52.8905 -20.7027 -21.4591 14.9928 -20.0384 -18.2002 TIMING: 3916000 CPU: 12375.5, 0.00316437/step Wall: 12375.5, 0.00316437/step, 0.952828 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: 3916000 4074.8623 20390.0488 14521.0955 267.5585 -203197.1607 2594.4844 0.0000 0.0000 51933.1400 -109415.9711 298.4605 -161349.1111 -109051.1280 298.6321 -180.0300 -148.6404 761310.1446 -6.0141 -6.1861 PRESSURE: 3916200 -201.982 318.842 114.908 318.842 -37.2713 117.593 114.909 117.592 450.403 GPRESSURE: 3916200 -157.082 269.203 101.746 305.174 50.0679 146.852 108.404 -8.7211 377.893 PRESSAVG: 3916200 36.0009 -5.11986 -29.7494 -5.11979 -37.5835 -27.7201 -29.7492 -27.7201 13.658 GPRESSAVG: 3916200 35.7836 -2.6271 -31.2161 -3.27847 -37.6778 -27.5179 -30.5078 -28.6124 13.6355 TIMING: 3916200 CPU: 12376.1, 0.00316359/step Wall: 12376.1, 0.00316359/step, 0.952416 hours remaining, 236.457031 MB of memory in use. ENERGY: 3916200 3996.2153 20348.1493 14478.1019 256.6429 -203170.0637 2462.7202 0.0000 0.0000 52002.8269 -109625.4072 298.8610 -161628.2341 -109256.9449 298.5194 70.3831 90.2931 761450.0209 4.0251 3.9138 LDB: ============= START OF LOAD BALANCING ============== 12388.7 LDB: ============== END OF LOAD BALANCING =============== 12388.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12388.7 LDB: ============= START OF LOAD BALANCING ============== 12389 LDB: Largest compute 7077 load 0.032422 is 16.6% of average load 0.195576 LDB: Average compute 0.004380 is 2.2% of average load 0.195576 LDB: TIME 12389 LOAD: AVG 0.195576 MAX 0.218315 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.387 MB LDB: TIME 12389 LOAD: AVG 0.195576 MAX 0.218315 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.391 MB LDB: TIME 12389 LOAD: AVG 0.195576 MAX 0.213763 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.391 MB LDB: ============== END OF LOAD BALANCING =============== 12389 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12389 PRESSURE: 3916400 44.3794 -13.8646 204.637 -13.8646 153.884 237.135 204.637 237.135 60.1839 GPRESSURE: 3916400 45.6782 -20.0973 180.4 -22.3365 251.784 212.422 274.534 269.643 37.5641 PRESSAVG: 3916400 13.9718 14.1223 2.23239 14.1222 -24.0556 29.485 2.23233 29.4851 -16.0252 GPRESSAVG: 3916400 13.5698 14.3427 4.62008 13.4839 -23.2446 30.549 2.62702 30.4768 -15.9299 TIMING: 3916400 CPU: 12376.8, 0.00324467/step Wall: 12376.8, 0.00324467/step, 0.976645 hours remaining, 234.679688 MB of memory in use. ENERGY: 3916400 4015.1905 20407.5390 14474.5293 253.0511 -203445.8093 2678.5660 0.0000 0.0000 52008.1671 -109608.7664 298.8917 -161616.9335 -109251.8916 299.0333 86.1489 111.6756 760974.5793 -8.7030 -8.5349 PRESSURE: 3916600 43.8792 -107.196 37.6693 -107.196 120.328 88.8125 37.669 88.8125 -81.2595 GPRESSURE: 3916600 23.6794 -114.875 127.073 -72.5191 308.314 91.3595 -69.4443 89.9242 -151.86 PRESSAVG: 3916600 -22.7367 -39.9232 39.3006 -39.9232 10.1144 19.5799 39.3006 19.5799 -10.4607 GPRESSAVG: 3916600 -21.1847 -40.7226 37.2468 -38.8809 8.23003 19.1988 40.2173 19.7078 -9.83291 TIMING: 3916600 CPU: 12377.4, 0.00315828/step Wall: 12377.4, 0.00315828/step, 0.950465 hours remaining, 234.882812 MB of memory in use. ENERGY: 3916600 4004.5992 20469.5187 14485.9461 246.3704 -203397.4307 2617.1037 0.0000 0.0000 52070.9233 -109502.9693 299.2523 -161573.8926 -109143.0476 299.1980 27.6491 60.0444 761418.9166 -7.6943 -7.5959 PRESSURE: 3916800 -61.5351 212.919 -178.844 212.919 271.482 -72.4589 -178.844 -72.4596 -47.6331 GPRESSURE: 3916800 -49.8217 129.365 -190.726 65.8053 373.84 -161.495 -137.649 3.1496 -70.9642 PRESSAVG: 3916800 65.8512 0.0920761 13.7408 0.0920035 -11.3305 21.4872 13.7408 21.4872 -11.7037 GPRESSAVG: 3916800 65.2222 0.707189 14.9134 -0.837598 -9.15638 21.4565 11.8725 20.6697 -13.0082 TIMING: 3916800 CPU: 12378.1, 0.00319165/step Wall: 12378.1, 0.00319165/step, 0.960333 hours remaining, 235.085938 MB of memory in use. ENERGY: 3916800 3955.8217 20383.1683 14481.3706 242.2703 -203456.4703 2722.0066 0.0000 0.0000 52141.5552 -109530.2775 299.6582 -161671.8327 -109155.7792 298.9875 54.1045 84.3514 760005.6637 14.2723 14.3526 PRESSURE: 3917000 -296.747 59.7796 96.0477 59.7804 -19.7811 9.17879 96.0478 9.1784 532.226 GPRESSURE: 3917000 -229.889 172.992 55.7348 105.349 41.3 -12.2431 97.1543 16.2803 506.391 PRESSAVG: 3917000 -19.4276 36.9879 38.6917 36.9879 -16.8582 17.924 38.6916 17.924 -18.9127 GPRESSAVG: 3917000 -19.6344 36.4416 38.3109 36.6917 -17.9152 18.4862 40.3226 17.8433 -17.6892 TIMING: 3917000 CPU: 12378.7, 0.00318561/step Wall: 12378.7, 0.00318561/step, 0.958337 hours remaining, 235.085938 MB of memory in use. ENERGY: 3917000 3970.0491 20445.4009 14494.1063 256.4799 -203289.7917 2812.7939 0.0000 0.0000 51887.2512 -109423.7105 298.1967 -161310.9616 -109062.0712 299.2657 71.8991 105.9341 762851.5232 -18.3995 -18.4129 PRESSURE: 3917200 -173.774 -144.612 127.958 -144.612 -81.5727 94.0646 127.956 94.0642 98.4151 GPRESSURE: 3917200 -249.021 -126.782 88.0998 -231.436 -19.4944 58.0746 78.9105 91.8759 189.275 PRESSAVG: 3917200 31.1204 -33.4503 20.1455 -33.4503 -33.3965 2.90753 20.1454 2.90751 30.4164 GPRESSAVG: 3917200 30.5468 -34.25 20.4632 -31.6924 -32.4093 3.37928 16.6395 3.8643 29.975 TIMING: 3917200 CPU: 12379.3, 0.00315563/step Wall: 12379.3, 0.00315563/step, 0.949143 hours remaining, 235.085938 MB of memory in use. ENERGY: 3917200 3928.2841 20450.6145 14452.5885 252.9159 -203065.3260 2292.7975 0.0000 0.0000 52138.3595 -109549.7662 299.6399 -161688.1256 -109188.7813 298.3765 -52.3106 -26.4134 761485.2807 9.3801 9.3708 PRESSURE: 3917400 -41.4992 190.789 -77.4617 190.789 -183.864 203.893 -77.4625 203.893 -168.024 GPRESSURE: 3917400 19.0291 157.896 -59.2406 117.293 -73.5883 166.795 -37.675 162.533 -224.415 PRESSAVG: 3917400 -3.88189 -11.2598 -3.52527 -11.2598 9.49842 37.6466 -3.52532 37.6466 -5.5034 GPRESSAVG: 3917400 -3.33547 -10.2863 -2.97326 -11.623 10.2331 37.2625 -0.494632 35.8191 -6.25997 TIMING: 3917400 CPU: 12380, 0.00317827/step Wall: 12380, 0.00317827/step, 0.955776 hours remaining, 235.085938 MB of memory in use. ENERGY: 3917400 3975.1208 20385.0080 14556.2661 254.6936 -203195.1902 2507.8347 0.0000 0.0000 52058.2401 -109458.0270 299.1794 -161516.2671 -109094.0985 298.7919 -131.1289 -92.9914 761253.8656 0.0377 0.2125 PRESSURE: 3917600 235.172 -146.526 15.37 -146.526 192.93 -81.7564 15.3702 -81.7558 -202.428 GPRESSURE: 3917600 411.331 -125.851 114.249 -187.406 96.4858 -19.158 7.78988 -52.1317 -175.965 PRESSAVG: 3917600 13.9449 35.6804 25.3839 35.6805 -15.2302 -26.4747 25.3838 -26.4747 4.66204 GPRESSAVG: 3917600 14.0995 34.9218 24.5831 35.9557 -16.3439 -25.8064 25.5695 -26.285 5.07209 TIMING: 3917600 CPU: 12380.6, 0.00317456/step Wall: 12380.6, 0.00317456/step, 0.954484 hours remaining, 235.085938 MB of memory in use. ENERGY: 3917600 4046.3288 20402.8835 14449.9855 267.6866 -203585.2608 2809.9462 0.0000 0.0000 51937.3198 -109671.1104 298.4845 -161608.4302 -109304.0440 298.6302 75.2244 110.6173 761165.3011 1.1256 0.9426 PRESSURE: 3917800 20.8707 101.356 -69.2709 101.356 210.278 -34.6691 -69.2712 -34.6683 318.335 GPRESSURE: 3917800 119.009 119.973 -84.0781 53.7848 217.835 -70.2353 78.3981 -55.5321 295.08 PRESSAVG: 3917800 23.7576 24.5146 -0.85399 24.5147 -5.0716 -5.31514 -0.854003 -5.31514 -2.5708 GPRESSAVG: 3917800 23.3513 26.6816 -2.27279 22.388 -5.36653 -6.72587 0.380554 -5.05915 -2.29423 TIMING: 3917800 CPU: 12381.2, 0.00319684/step Wall: 12381.2, 0.00319684/step, 0.961005 hours remaining, 235.085938 MB of memory in use. ENERGY: 3917800 3921.1688 20468.2985 14467.6743 258.5682 -203137.5280 2398.0425 0.0000 0.0000 51980.0466 -109643.7291 298.7300 -161623.7757 -109272.5308 298.6919 183.1613 210.6416 761716.0257 5.3717 5.2302 PRESSURE: 3918000 505.419 -23.1612 215.125 -23.1622 -115.824 -194.837 215.126 -194.835 -2.17951 GPRESSURE: 3918000 458.263 -13.222 253.661 -67.7166 -56.0768 -193.232 235.427 -162.415 53.9779 PRESSAVG: 3918000 0.158533 24.7384 12.3457 24.7384 -7.22405 21.8161 12.3457 21.8161 -5.16659 GPRESSAVG: 3918000 0.541773 23.7638 12.0131 25.6218 -8.62411 23.4245 10.691 21.0881 -4.76188 TIMING: 3918000 CPU: 12381.9, 0.00319242/step Wall: 12381.9, 0.00319242/step, 0.9595 hours remaining, 235.085938 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: 3918000 3983.5296 20296.3102 14475.0140 240.5216 -203530.4420 2668.9419 0.0000 0.0000 52149.8201 -109716.3046 299.7057 -161866.1247 -109347.0731 298.2621 129.1385 152.0548 763042.3806 -4.0774 -4.2814 PRESSURE: 3918200 -48.0461 31.5412 194.331 31.5415 -292.425 2.78492 194.331 2.7855 -480.174 GPRESSURE: 3918200 -107.105 128.222 100.234 -7.25687 -187.652 -75.6677 114.816 -2.50695 -443.205 PRESSAVG: 3918200 20.4267 50.59 38.7759 50.5901 -8.36735 -41.4643 38.7759 -41.4643 -31.0819 GPRESSAVG: 3918200 19.5461 50.7461 39.1247 50.5506 -7.30129 -43.2485 37.2825 -41.4789 -31.5627 TIMING: 3918200 CPU: 12382.5, 0.00319909/step Wall: 12382.5, 0.0031991/step, 0.961328 hours remaining, 235.085938 MB of memory in use. ENERGY: 3918200 3994.3555 20604.0602 14517.3379 239.0798 -203330.8083 2467.5288 0.0000 0.0000 51884.7457 -109623.7005 298.1823 -161508.4462 -109257.2108 298.0326 -273.5481 -245.9872 762923.7893 -6.3408 -6.4393 PRESSURE: 3918400 -205.798 12.6928 -14.2718 12.6928 -234.923 114.281 -14.2711 114.281 62.565 GPRESSURE: 3918400 -161.708 8.25548 -11.4407 0.247342 -186.472 84.8865 133.152 136.88 71.7467 PRESSAVG: 3918400 22.9111 40.1022 15.0319 40.1022 5.43916 -11.5267 15.0319 -11.5267 -2.5736 GPRESSAVG: 3918400 23.8413 39.5738 15.0489 41.6538 4.27535 -11.3743 17.5819 -12.2614 -2.81153 TIMING: 3918400 CPU: 12383.1, 0.00316642/step Wall: 12383.1, 0.00316642/step, 0.951333 hours remaining, 235.085938 MB of memory in use. ENERGY: 3918400 3980.7516 20523.2755 14454.0278 240.5750 -203524.4572 2561.4084 0.0000 0.0000 51877.3135 -109887.1054 298.1396 -161764.4189 -109528.3673 298.3204 -126.0521 -92.1443 762845.3049 8.5922 8.4350 PRESSURE: 3918600 -63.1733 153.445 60.8042 153.444 21.3835 33.4021 60.8044 33.403 -137.743 GPRESSURE: 3918600 -41.0797 173.206 -13.2408 88.4686 3.33829 -31.0768 -117.554 82.7287 -64.7314 PRESSAVG: 3918600 15.0435 35.4406 -19.2739 35.4407 -11.9975 -31.6987 -19.2738 -31.6986 4.78019 GPRESSAVG: 3918600 15.1382 34.949 -19.9363 33.4819 -11.2649 -32.5303 -19.546 -28.4612 4.0131 TIMING: 3918600 CPU: 12383.8, 0.003169/step Wall: 12383.8, 0.003169/step, 0.951934 hours remaining, 235.085938 MB of memory in use. ENERGY: 3918600 3913.8352 20341.8068 14562.7015 233.6854 -203804.6955 2922.6643 0.0000 0.0000 52056.9204 -109773.0818 299.1718 -161830.0022 -109400.5595 297.7821 -59.8444 -34.1576 761721.5764 2.6087 2.6288 PRESSURE: 3918800 0.468173 -61.459 -145.45 -61.459 -280.794 81.746 -145.45 81.7462 244.639 GPRESSURE: 3918800 -4.4563 67.6909 -152.574 -28.474 -194.96 69.5109 -173.368 99.4955 261.596 PRESSAVG: 3918800 12.1872 1.93985 -18.5639 1.93984 -20.1547 -5.69635 -18.5639 -5.69634 -7.42442 GPRESSAVG: 3918800 10.3023 3.73763 -17.9145 2.15257 -19.8063 -4.97219 -19.3509 -5.54269 -6.03092 TIMING: 3918800 CPU: 12384.4, 0.00317735/step Wall: 12384.4, 0.00317735/step, 0.954265 hours remaining, 235.085938 MB of memory in use. ENERGY: 3918800 3991.8635 20440.8565 14479.2788 240.4440 -203251.6064 2510.4780 0.0000 0.0000 51929.2098 -109659.4757 298.4379 -161588.6856 -109297.0087 297.8215 -11.8953 20.7263 762432.9096 -5.1306 -5.1783 PRESSURE: 3919000 -50.3035 -65.2344 -226.401 -65.2341 13.2604 -1.94508 -226.401 -1.94445 117.09 GPRESSURE: 3919000 24.3226 -54.8905 -315.655 -105.74 -9.14919 -1.26518 -266.44 -79.839 166.73 PRESSAVG: 3919000 -1.96834 -15.5381 19.3789 -15.5381 21.1101 23.4947 19.3789 23.4947 -2.07744 GPRESSAVG: 3919000 -0.0834515 -14.7509 20.9589 -14.9675 19.9953 24.4769 19.5695 23.1041 -2.88897 TIMING: 3919000 CPU: 12385, 0.00319234/step Wall: 12385, 0.00319234/step, 0.958589 hours remaining, 235.085938 MB of memory in use. ENERGY: 3919000 4004.3433 20426.1992 14496.7871 253.6111 -203470.9524 2748.6640 0.0000 0.0000 51741.6556 -109799.6921 297.3600 -161541.3477 -109444.0312 298.3468 26.6822 60.6346 763143.7459 5.6881 5.6743 PRESSURE: 3919200 23.6146 97.7166 43.6465 97.7159 -137.18 266.228 43.6471 266.228 121.515 GPRESSURE: 3919200 25.1169 182.523 142.993 88.2277 -92.5513 219.19 17.4874 168.548 147.088 PRESSAVG: 3919200 -3.70671 30.1175 36.9399 30.1176 8.49735 -26.3602 36.9398 -26.3602 6.19027 GPRESSAVG: 3919200 -3.00198 27.5492 35.4629 31.9365 7.64439 -26.4341 37.0606 -27.9517 5.99866 TIMING: 3919200 CPU: 12385.7, 0.00316672/step Wall: 12385.7, 0.00316672/step, 0.950721 hours remaining, 235.085938 MB of memory in use. ENERGY: 3919200 3921.8472 20523.9501 14604.2961 251.8480 -203906.1170 2841.7403 0.0000 0.0000 52171.9989 -109590.4365 299.8332 -161762.4354 -109223.4997 298.6624 2.6499 26.5511 762418.0068 3.6603 3.5470 PRESSURE: 3919400 -242.297 -47.5426 323.861 -47.5433 -142.061 37.2537 323.861 37.2536 -727.288 GPRESSURE: 3919400 -164.936 10.0807 280.388 -23.6067 -149.929 43.1781 389.955 56.3475 -705.018 PRESSAVG: 3919400 33.0912 -20.7225 -11.4958 -20.7225 -40.9367 -8.82 -11.4958 -8.82015 -9.57516 GPRESSAVG: 3919400 33.1063 -18.6391 -11.8565 -23.7312 -40.0464 -9.58304 -10.835 -7.23295 -10.0452 TIMING: 3919400 CPU: 12386.3, 0.00317149/step Wall: 12386.3, 0.00317149/step, 0.951975 hours remaining, 235.085938 MB of memory in use. ENERGY: 3919400 4049.5274 20550.0669 14491.9835 248.4934 -203206.2608 2598.3273 0.0000 0.0000 51861.2135 -109406.6489 298.0471 -161267.8624 -109038.9558 298.9146 -370.5485 -339.9611 764822.0186 -5.8069 -5.6618 PRESSURE: 3919600 165.469 -163.287 -206.979 -163.287 -25.9195 -221.572 -206.98 -221.573 112.884 GPRESSURE: 3919600 279.123 -129.758 -120.972 -144.752 0.0895568 -220.487 -119.562 -198.785 57.9372 PRESSAVG: 3919600 6.556 -38.5529 -30.0086 -38.5529 32.4355 -4.11272 -30.0086 -4.11268 -7.11104 GPRESSAVG: 3919600 7.37923 -39.6127 -27.3429 -36.2675 31.9674 -3.1949 -29.5833 -6.21155 -7.60364 TIMING: 3919600 CPU: 12386.9, 0.00315564/step Wall: 12386.9, 0.00315564/step, 0.947042 hours remaining, 235.085938 MB of memory in use. ENERGY: 3919600 4005.2984 20448.5264 14554.2007 259.1262 -203685.6957 2726.1372 0.0000 0.0000 51909.6549 -109782.7519 298.3255 -161692.4068 -109426.3506 298.3893 84.1447 112.3832 760843.3747 10.6268 10.5810 PRESSURE: 3919800 45.5945 11.4196 -116.046 11.4194 -116.545 108.501 -116.046 108.502 -36.4945 GPRESSURE: 3919800 124.657 68.1502 -216.568 -50.8274 -63.7426 83.1086 -143.963 97.7163 -75.6007 PRESSAVG: 3919800 40.6967 -5.17699 -2.16789 -5.177 -51.3531 -41.2049 -2.16784 -41.2049 -4.0632 GPRESSAVG: 3919800 40.467 -6.6734 -4.90371 -6.79784 -51.4009 -42.0418 -0.963912 -39.5241 -4.23155 TIMING: 3919800 CPU: 12387.6, 0.00316588/step Wall: 12387.6, 0.00316588/step, 0.949941 hours remaining, 235.085938 MB of memory in use. ENERGY: 3919800 3919.1007 20603.6646 14529.4404 247.7661 -203635.7964 2815.6830 0.0000 0.0000 51723.5094 -109796.6321 297.2557 -161520.1415 -109445.0935 298.1531 -35.8150 -4.8953 763392.1796 -4.9065 -5.0551 PRESSURE: 3920000 360.505 89.0315 -197.452 89.0309 250.96 136.213 -197.45 136.213 340.241 GPRESSURE: 3920000 333.388 100.671 -222.277 -3.66401 317.481 139.968 -209.531 138.406 394.08 PRESSAVG: 3920000 -3.79385 -29.9802 -10.8382 -29.9802 41.5859 -5.35379 -10.8382 -5.3539 -23.5244 GPRESSAVG: 3920000 -5.42084 -29.3348 -10.6869 -27.4747 42.5496 -4.63417 -11.9977 -7.1926 -22.5958 TIMING: 3920000 CPU: 12388.2, 0.00314023/step Wall: 12388.2, 0.00314023/step, 0.942068 hours remaining, 235.085938 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: 3920000 4003.1674 20451.4379 14576.8202 234.3177 -203813.0572 3008.2757 0.0000 0.0000 51970.1615 -109568.8769 298.6732 -161539.0383 -109206.7161 298.4806 317.2355 348.3162 761627.2010 4.7559 4.8443 PRESSURE: 3920200 -147.585 0.117972 167.214 0.11721 -359.407 20.6282 167.214 20.6271 -224.376 GPRESSURE: 3920200 -132.022 -55.4232 212.61 -32.5814 -232.759 31.3688 140.048 -10.443 -265.244 PRESSAVG: 3920200 2.77145 -23.3725 24.396 -23.3724 41.8341 53.5698 24.3961 53.5697 1.32373 GPRESSAVG: 3920200 3.64238 -22.0225 25.3914 -25.1713 40.2708 52.438 21.8864 56.3683 1.98879 TIMING: 3920200 CPU: 12388.8, 0.00316396/step Wall: 12388.8, 0.00316396/step, 0.949014 hours remaining, 235.085938 MB of memory in use. ENERGY: 3920200 4005.4087 20580.8604 14477.7322 247.9860 -203257.8134 2535.5341 0.0000 0.0000 51844.6291 -109565.6628 297.9518 -161410.2919 -109199.3858 298.3824 -243.7893 -210.0084 762064.9089 15.3098 15.3006 LDB: ============= START OF LOAD BALANCING ============== 12401.4 LDB: ============== END OF LOAD BALANCING =============== 12401.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12401.4 LDB: ============= START OF LOAD BALANCING ============== 12401.7 LDB: Largest compute 7077 load 0.031416 is 16.1% of average load 0.195592 LDB: Average compute 0.004396 is 2.2% of average load 0.195592 LDB: TIME 12401.7 LOAD: AVG 0.195592 MAX 0.215486 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.762 MB LDB: TIME 12401.7 LOAD: AVG 0.195592 MAX 0.215486 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: TIME 12401.7 LOAD: AVG 0.195592 MAX 0.215486 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.836 MB LDB: ============== END OF LOAD BALANCING =============== 12401.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12401.7 PRESSURE: 3920400 -79.89 68.4779 222.668 68.478 -205.344 -11.9423 222.668 -11.9421 -35.4846 GPRESSURE: 3920400 -108.614 147.437 256.972 130.945 -80.6728 67.1235 325.209 -15.6131 -32.2591 PRESSAVG: 3920400 -35.7914 -44.937 -9.93102 -44.937 32.3703 22.0418 -9.93107 22.0417 5.08695 GPRESSAVG: 3920400 -36.1206 -45.8739 -10.7725 -44.5434 32.7056 22.8356 -7.77725 20.3734 5.1159 TIMING: 3920400 CPU: 12389.5, 0.00324724/step Wall: 12389.5, 0.00324724/step, 0.973812 hours remaining, 235.601562 MB of memory in use. ENERGY: 3920400 3931.6194 20620.4190 14490.2253 247.9261 -203399.6360 2608.9701 0.0000 0.0000 51993.7154 -109506.7608 298.8086 -161500.4762 -109154.1682 298.3329 -106.9063 -73.8487 760883.5350 0.5553 0.5669 PRESSURE: 3920600 -79.2692 -115.9 -63.946 -115.9 108.984 69.3725 -63.9469 69.3728 -46.104 GPRESSURE: 3920600 -21.4108 -84.6012 -110.293 -54.4162 179.955 110.109 -26.7587 -47.6324 -79.6686 PRESSAVG: 3920600 10.1167 2.03463 20.5455 2.03469 16.752 -20.404 20.5455 -20.4039 -6.87563 GPRESSAVG: 3920600 9.76324 2.5674 19.6049 2.45938 17.2656 -21.0642 19.8135 -19.7006 -6.85619 TIMING: 3920600 CPU: 12390.1, 0.00317324/step Wall: 12390.1, 0.00317324/step, 0.951444 hours remaining, 235.816406 MB of memory in use. ENERGY: 3920600 3892.0743 20522.4833 14533.5764 244.9097 -203926.6573 2959.9253 0.0000 0.0000 52185.7225 -109587.9658 299.9121 -161773.6883 -109226.1870 299.1714 -5.4630 26.2918 761032.0057 6.6644 6.7242 PRESSURE: 3920800 -239.492 115.841 -76.6464 115.841 -59.1578 -35.1043 -76.6466 -35.1049 -137.97 GPRESSURE: 3920800 -179.394 107.218 -55.9791 83.2782 -84.7087 -66.9174 -27.5071 44.4607 -59.1986 PRESSAVG: 3920800 -17.3871 43.1657 44.9506 43.1657 -20.2006 -35.2604 44.9506 -35.2604 11.111 GPRESSAVG: 3920800 -16.7012 41.2763 46.2557 42.4994 -20.1454 -35.3493 47.2574 -36.1871 10.8499 TIMING: 3920800 CPU: 12390.8, 0.00316013/step Wall: 12390.8, 0.00316013/step, 0.947336 hours remaining, 235.882812 MB of memory in use. ENERGY: 3920800 3946.3614 20342.4598 14446.7013 259.7910 -203338.8736 2608.8282 0.0000 0.0000 51983.7873 -109750.9446 298.7515 -161734.7319 -109387.9661 298.5314 -145.5399 -107.7670 762387.9303 -8.8256 -8.6655 PRESSURE: 3921000 391.556 80.8822 131.582 80.8818 228.133 119.888 131.583 119.888 -56.6027 GPRESSURE: 3921000 420.274 126.24 65.6635 158.873 228.996 53.9888 232.749 -0.591807 -1.72364 PRESSAVG: 3921000 -76.0738 -8.29142 7.71865 -8.29132 29.2158 -11.26 7.71866 -11.26 30.1942 GPRESSAVG: 3921000 -76.3501 -6.57909 6.95555 -9.69823 29.0684 -10.343 5.50845 -12.3651 30.6417 TIMING: 3921000 CPU: 12391.4, 0.0031468/step Wall: 12391.4, 0.0031468/step, 0.943166 hours remaining, 235.882812 MB of memory in use. ENERGY: 3921000 3993.6150 20492.7999 14487.4282 246.5853 -203588.8573 3007.7514 0.0000 0.0000 51623.1371 -109737.5405 296.6789 -161360.6776 -109373.6115 298.8562 187.6956 215.8489 760500.1113 -5.5546 -5.5467 PRESSURE: 3921200 -274.808 20.3409 -172.768 20.3406 -86.6681 -150.311 -172.768 -150.31 37.4647 GPRESSURE: 3921200 -245.943 -139.947 -187.313 -56.0284 -59.77 -112.217 -59.6519 -71.4229 67.9043 PRESSAVG: 3921200 10.5612 27.7006 -11.2056 27.7006 70.0838 -12.3648 -11.2055 -12.3647 0.0656443 GPRESSAVG: 3921200 9.12847 28.234 -9.21873 28.2651 71.0691 -12.9525 -10.3192 -9.46386 1.13236 TIMING: 3921200 CPU: 12392, 0.00316615/step Wall: 12392, 0.00316615/step, 0.94879 hours remaining, 235.882812 MB of memory in use. ENERGY: 3921200 3961.0326 20515.1473 14464.6915 258.4355 -203315.7544 2419.4146 0.0000 0.0000 52058.6349 -109638.3980 299.1817 -161697.0329 -109275.4061 298.4743 -108.0038 -79.2696 761901.5835 26.9036 27.1100 PRESSURE: 3921400 -31.2828 -267.185 224.934 -267.186 -168.321 140.315 224.934 140.317 -34.3921 GPRESSURE: 3921400 23.9353 -245.036 198.645 -333.544 -90.7608 123.154 89.0347 55.2226 -77.5481 PRESSAVG: 3921400 -42.2605 -54.1283 -7.35976 -54.1282 34.8126 -11.9724 -7.3597 -11.9723 7.869 GPRESSAVG: 3921400 -40.6991 -54.6777 -10.2007 -54.2538 35.0972 -12.9135 -7.45907 -12.5172 5.87967 TIMING: 3921400 CPU: 12392.7, 0.00315933/step Wall: 12392.7, 0.00315933/step, 0.94657 hours remaining, 235.882812 MB of memory in use. ENERGY: 3921400 3970.6233 20480.5197 14489.4465 254.7992 -203310.1615 2531.7187 0.0000 0.0000 51903.9059 -109679.1482 298.2925 -161583.0541 -109323.0035 298.8172 -77.9986 -48.1245 761506.3672 0.1404 0.0926 PRESSURE: 3921600 -361.373 -132.907 154.15 -132.908 78.2597 371.223 154.149 371.223 12.9161 GPRESSURE: 3921600 -283.782 62.2433 251.745 -146.697 107.801 430.766 199.667 334.043 -14.8653 PRESSAVG: 3921600 -12.6512 36.4211 -27.0307 36.4211 12.851 8.53599 -27.0308 8.53598 -10.9007 GPRESSAVG: 3921600 -11.2565 36.517 -26.2785 38.0804 10.8086 10.7314 -26.7815 6.3061 -9.41249 TIMING: 3921600 CPU: 12393.3, 0.00316603/step Wall: 12393.3, 0.00316603/step, 0.948403 hours remaining, 235.882812 MB of memory in use. ENERGY: 3921600 3911.6680 20400.5793 14578.3875 261.2957 -203759.1831 2884.6035 0.0000 0.0000 52147.8182 -109574.8310 299.6942 -161722.6492 -109214.1264 298.8916 -90.0659 -63.6154 762256.3115 -3.5670 -3.2868 PRESSURE: 3921800 84.7587 -80.8077 22.8354 -80.8075 -60.9024 79.5037 22.8352 79.5035 -235.473 GPRESSURE: 3921800 103.57 -157.179 23.6235 -9.31926 10.8421 95.0396 54.1566 178.227 -229.43 PRESSAVG: 3921800 -31.4573 25.4738 30.5015 25.4737 45.2301 57.5589 30.5015 57.5587 -12.6086 GPRESSAVG: 3921800 -31.4062 25.1061 30.1717 26.8541 46.5993 55.8431 31.8215 60.1842 -13.9164 TIMING: 3921800 CPU: 12393.9, 0.00318542/step Wall: 12393.9, 0.00318542/step, 0.954034 hours remaining, 235.882812 MB of memory in use. ENERGY: 3921800 3933.6719 20495.7590 14574.5879 251.9651 -203169.3937 2732.4127 0.0000 0.0000 51902.5401 -109278.4569 298.2846 -161180.9971 -108916.9265 298.8843 -70.5390 -38.3393 763021.4448 0.3881 0.4255 PRESSURE: 3922000 345.148 280.979 -72.2391 280.979 307.777 24.7051 -72.2396 24.7055 -351.038 GPRESSURE: 3922000 371.814 283.685 -119.405 188.735 289.325 3.27016 -21.0259 127.287 -292.758 PRESSAVG: 3922000 -47.8116 49.5462 39.8842 49.5462 2.20805 4.71118 39.8843 4.7111 -26.1227 GPRESSAVG: 3922000 -49.1209 47.7102 40.343 48.6175 2.43281 4.4763 39.28 2.38254 -24.9196 TIMING: 3922000 CPU: 12394.6, 0.00316019/step Wall: 12394.6, 0.00316019/step, 0.946301 hours remaining, 235.882812 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: 3922000 3972.4450 20384.1977 14505.8305 242.2639 -203084.1869 2755.7529 0.0000 0.0000 52172.4224 -109051.2744 299.8356 -161223.6968 -108692.1141 299.2632 100.6289 122.7939 762938.1585 -23.9088 -23.8692 PRESSURE: 3922200 -172.072 108.454 40.4168 108.453 -109.55 71.1226 40.4169 71.1211 -287.902 GPRESSURE: 3922200 -82.977 116.134 -26.7923 101.455 -84.2955 95.3243 50.391 101.303 -302.723 PRESSAVG: 3922200 24.7486 -5.71187 37.1426 -5.7119 9.06355 -33.2372 37.1426 -33.2372 -7.30468 GPRESSAVG: 3922200 25.8671 -4.21102 36.6146 -6.10542 8.48651 -33.0444 36.4203 -31.009 -7.83917 TIMING: 3922200 CPU: 12395.2, 0.00316404/step Wall: 12395.2, 0.00316404/step, 0.94728 hours remaining, 235.882812 MB of memory in use. ENERGY: 3922200 4008.3466 20569.8544 14532.0055 255.4397 -203167.5100 2621.0979 0.0000 0.0000 52023.1236 -109157.6422 298.9776 -161180.7658 -108798.9537 299.6787 -189.8413 -156.6652 761318.3611 8.8358 8.8382 PRESSURE: 3922400 -353.338 38.1074 130.761 38.1074 -269.129 252.443 130.759 252.443 -247.224 GPRESSURE: 3922400 -329.242 12.8108 89.3949 24.6903 -228.054 235.054 172.792 289.585 -246.838 PRESSAVG: 3922400 -33.5427 1.21783 40.0718 1.21782 31.9475 112.994 40.0718 112.994 12.1242 GPRESSAVG: 3922400 -34.7812 -1.418 42.4541 1.37346 34.1795 113.059 39.0914 110.302 11.0388 TIMING: 3922400 CPU: 12395.8, 0.00316112/step Wall: 12395.8, 0.00316112/step, 0.946229 hours remaining, 235.882812 MB of memory in use. ENERGY: 3922400 4009.5456 20490.2529 14549.5934 233.9940 -203221.4831 2587.1867 0.0000 0.0000 52035.5595 -109315.3510 299.0491 -161350.9105 -108946.9677 299.5824 -289.8969 -268.0446 762985.9595 3.5097 3.4790 PRESSURE: 3922600 -53.0561 -35.2767 1.33338 -35.2768 -132.299 -187.295 1.33272 -187.295 36.2432 GPRESSURE: 3922600 41.6003 -37.5056 -29.2786 -161.708 -168.47 -221.005 43.7804 -94.1514 48.1859 PRESSAVG: 3922600 -20.947 16.4179 84.4859 16.4179 13.0543 16.0837 84.4859 16.0836 14.4778 GPRESSAVG: 3922600 -20.5135 20.5151 83.243 14.3961 12.1829 17.897 84.2297 16.2147 15.1142 TIMING: 3922600 CPU: 12396.5, 0.00316096/step Wall: 12396.5, 0.00316096/step, 0.946004 hours remaining, 235.882812 MB of memory in use. ENERGY: 3922600 3943.9486 20570.2890 14512.5734 233.6604 -203068.3549 2521.6454 0.0000 0.0000 51920.0625 -109366.1756 298.3853 -161286.2381 -109007.9817 298.9950 -49.7040 -26.2278 763167.5265 2.1950 2.2612 PRESSURE: 3922800 28.2557 24.5885 -96.4888 24.5892 424.365 -124.783 -96.4888 -124.783 -68.1559 GPRESSURE: 3922800 132.245 -18.1636 -88.7113 36.6279 475.437 -175.009 -59.6221 -73.2945 -143.991 PRESSAVG: 3922800 -19.2729 -20.9774 38.2221 -20.9774 -9.93239 53.0123 38.222 53.0123 -5.56171 GPRESSAVG: 3922800 -19.9153 -21.4379 37.0358 -20.6745 -10.5794 52.3128 39.4357 54.7368 -4.75405 TIMING: 3922800 CPU: 12397.1, 0.00317057/step Wall: 12397.1, 0.00317057/step, 0.948706 hours remaining, 235.882812 MB of memory in use. ENERGY: 3922800 3975.5630 20480.5138 14435.0937 247.2531 -203125.5830 2715.6995 0.0000 0.0000 51956.5500 -109314.9099 298.5950 -161271.4599 -108947.1204 298.7490 128.1548 154.5636 763063.5419 -11.5890 -11.7496 PRESSURE: 3923000 -163.355 -88.9502 111.854 -88.95 -37.9192 249.669 111.854 249.669 162.051 GPRESSURE: 3923000 -44.3364 -134.942 105.23 -72.2532 -1.83237 230.359 72.8167 235.985 98.8721 PRESSAVG: 3923000 48.2939 -47.4846 7.19033 -47.4845 -17.9457 -0.630387 7.19038 -0.630436 -14.3113 GPRESSAVG: 3923000 48.9009 -47.9329 6.8072 -46.9748 -17.6077 -0.894546 7.43596 -1.03601 -14.536 TIMING: 3923000 CPU: 12397.7, 0.00315352/step Wall: 12397.7, 0.00315352/step, 0.943429 hours remaining, 235.882812 MB of memory in use. ENERGY: 3923000 3888.3363 20345.4791 14528.4198 241.4262 -203086.9387 2443.5046 0.0000 0.0000 51973.6731 -109666.0995 298.6934 -161639.7727 -109296.9132 298.7925 -13.0743 17.5678 762936.7271 5.3456 5.5857 PRESSURE: 3923200 -381.79 -4.02098 163.276 -4.02 -342.878 115.925 163.277 115.925 -451.733 GPRESSURE: 3923200 -306.538 110.889 253.579 -60.1745 -367.907 90.4256 88.8981 -25.774 -432.425 PRESSAVG: 3923200 -38.2381 -37.2831 21.1216 -37.2831 73.6064 -0.345826 21.1216 -0.345922 14.3995 GPRESSAVG: 3923200 -37.4252 -36.2472 20.7144 -36.9633 72.9402 -1.90125 19.8831 0.568094 14.4109 TIMING: 3923200 CPU: 12398.4, 0.00318004/step Wall: 12398.4, 0.00318004/step, 0.951186 hours remaining, 235.882812 MB of memory in use. ENERGY: 3923200 3997.1171 20508.8068 14526.8503 219.6991 -202986.5084 2182.4953 0.0000 0.0000 51949.9401 -109601.5997 298.5570 -161551.5398 -109240.4219 298.8393 -392.1337 -368.9569 762971.8583 16.5893 16.6420 PRESSURE: 3923400 -75.5403 -1.1397 -103.795 -1.14029 -103.888 -120.057 -103.795 -120.057 -101.422 GPRESSURE: 3923400 -25.1349 23.9465 -15.5453 -36.7483 -51.7246 -110.432 -18.4594 -112.719 -98.8499 PRESSAVG: 3923400 -20.5581 -3.50684 -6.98764 -3.50682 -35.0896 24.8564 -6.98764 24.8564 -13.3249 GPRESSAVG: 3923400 -20.2337 -4.65331 -5.44291 -3.29738 -34.9222 26.2754 -8.12288 23.0007 -13.5568 TIMING: 3923400 CPU: 12399, 0.00318002/step Wall: 12399, 0.00318002/step, 0.951003 hours remaining, 235.882812 MB of memory in use. ENERGY: 3923400 4006.0073 20629.1472 14442.7030 243.2206 -203535.2401 2658.3440 0.0000 0.0000 51779.5096 -109776.3083 297.5776 -161555.8179 -109410.6503 298.2890 -93.6167 -58.5698 760426.7545 -22.9909 -22.9042 PRESSURE: 3923600 -585.219 87.367 27.8572 87.3667 181.343 -89.3478 27.8575 -89.3486 -234.348 GPRESSURE: 3923600 -393.128 80.7673 72.4856 17.9345 76.3708 -33.0448 -86.8685 -5.84309 -258.338 PRESSAVG: 3923600 -108.511 6.74729 10.9477 6.74725 44.7287 -37.8039 10.9478 -37.8039 -13.9167 GPRESSAVG: 3923600 -108.827 9.57075 9.78099 4.78681 45.1615 -35.7015 13.8724 -36.6873 -13.9338 TIMING: 3923600 CPU: 12399.6, 0.00316958/step Wall: 12399.6, 0.00316958/step, 0.947704 hours remaining, 235.882812 MB of memory in use. ENERGY: 3923600 3992.3323 20402.4152 14495.0234 243.6722 -203426.5352 2692.4304 0.0000 0.0000 51996.8282 -109603.8336 298.8265 -161600.6618 -109243.3035 298.1581 -212.7415 -191.6982 761896.3044 -25.8995 -25.8663 PRESSURE: 3923800 361.044 65.0203 -41.4216 65.0206 236.384 -151.624 -41.4218 -151.623 216.915 GPRESSURE: 3923800 401.599 156.007 -146.826 -5.64483 292.908 -91.9995 47.364 -205.939 200.605 PRESSAVG: 3923800 -13.347 17.0956 24.0881 17.0956 11.4735 -51.812 24.088 -51.812 1.37704 GPRESSAVG: 3923800 -13.0686 14.6252 24.7426 19.9498 10.9884 -53.5028 24.1891 -53.125 1.09157 TIMING: 3923800 CPU: 12400.3, 0.00316485/step Wall: 12400.3, 0.00316485/step, 0.946115 hours remaining, 235.882812 MB of memory in use. ENERGY: 3923800 3977.2614 20562.2683 14451.9909 253.8522 -203493.4906 2798.3138 0.0000 0.0000 52037.8241 -109411.9798 299.0621 -161449.8039 -109052.8044 299.2497 271.4478 298.3709 760521.3847 -0.1655 -0.3295 PRESSURE: 3924000 171.961 -129.904 -160.741 -129.904 -153.955 -237.054 -160.74 -237.054 194.561 GPRESSURE: 3924000 135.711 -152.991 -132.828 -79.1306 -92.4901 -213.823 -226.151 -181.724 245.204 PRESSAVG: 3924000 31.1265 -4.20289 20.065 -4.2029 24.5373 -53.0166 20.065 -53.0165 -1.70328 GPRESSAVG: 3924000 32.0798 -4.57242 19.5813 -5.84638 24.4295 -54.6007 20.2454 -50.6467 -1.90033 TIMING: 3924000 CPU: 12400.9, 0.00316865/step Wall: 12400.9, 0.00316864/step, 0.947073 hours remaining, 235.882812 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: 3924000 3988.9557 20448.9804 14463.7375 250.0980 -203573.4800 2589.9061 0.0000 0.0000 52389.4785 -109442.3237 301.0831 -161831.8022 -109068.9031 298.9978 70.8555 96.1418 760575.5017 17.9868 18.2030 PRESSURE: 3924200 186.908 3.29147 5.67205 3.29136 37.6367 -16.5422 5.67132 -16.5422 79.6472 GPRESSURE: 3924200 209.604 -42.3996 45.61 -68.3865 112.526 25.2152 -89.6636 -146.959 78.6245 PRESSAVG: 3924200 -54.6617 -34.7515 -0.846667 -34.7516 16.1663 -48.0909 -0.846686 -48.0909 -5.03728 GPRESSAVG: 3924200 -56.0305 -34.2332 -1.30705 -32.857 17.4098 -47.578 -2.29476 -49.1934 -5.28001 TIMING: 3924200 CPU: 12401.5, 0.00317785/step Wall: 12401.5, 0.00317785/step, 0.949647 hours remaining, 235.882812 MB of memory in use. ENERGY: 3924200 3954.2608 20612.3636 14450.1651 249.8358 -203184.1711 2545.4005 0.0000 0.0000 51684.2655 -109687.8799 297.0302 -161372.1454 -109335.5973 298.7662 101.3973 133.5849 760132.9148 -14.5109 -14.6336 LDB: ============= START OF LOAD BALANCING ============== 12414.1 LDB: ============== END OF LOAD BALANCING =============== 12414.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12414.1 LDB: ============= START OF LOAD BALANCING ============== 12414.4 LDB: Largest compute 7031 load 0.033212 is 17.0% of average load 0.195662 LDB: Average compute 0.004400 is 2.2% of average load 0.195662 LDB: TIME 12414.4 LOAD: AVG 0.195662 MAX 0.213389 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.953 MB LDB: TIME 12414.4 LOAD: AVG 0.195662 MAX 0.213389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.023 MB LDB: TIME 12414.4 LOAD: AVG 0.195662 MAX 0.213389 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.023 MB LDB: ============== END OF LOAD BALANCING =============== 12414.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12414.4 PRESSURE: 3924400 -13.2742 10.4 67.3243 10.3998 -76.687 -120.301 67.3251 -120.301 -115.974 GPRESSURE: 3924400 -6.08384 -4.1409 -50.7234 15.7926 -46.8143 -103.502 111.876 -131.684 -48.5811 PRESSAVG: 3924400 2.19714 -31.0989 -19.3118 -31.0989 -0.0423036 30.4531 -19.3117 30.4532 22.5915 GPRESSAVG: 3924400 1.99348 -30.4751 -18.8605 -32.9375 -2.09714 31.0158 -20.3675 29.3623 24.2577 TIMING: 3924400 CPU: 12402.2, 0.00326299/step Wall: 12402.2, 0.00326299/step, 0.974908 hours remaining, 234.937500 MB of memory in use. ENERGY: 3924400 3957.4747 20374.4947 14445.1700 233.0503 -203096.5470 2278.7363 0.0000 0.0000 52037.1351 -109770.4859 299.0581 -161807.6211 -109406.3990 298.3362 -68.6452 -33.8264 759787.6323 8.2488 8.0513 PRESSURE: 3924600 -60.7361 177.796 -94.5368 177.797 -69.9441 -119.196 -94.5371 -119.195 247.771 GPRESSURE: 3924600 -11.4329 176.438 -70.9077 105.547 -3.76426 -153.414 -46.239 -157.641 202.846 PRESSAVG: 3924600 -27.9346 -44.574 -44.8805 -44.5741 23.4062 -42.1848 -44.8805 -42.1848 -12.5667 GPRESSAVG: 3924600 -28.3045 -44.4794 -45.486 -44.9682 25.1228 -43.7857 -43.8024 -40.9659 -13.6944 TIMING: 3924600 CPU: 12402.8, 0.00318758/step Wall: 12402.8, 0.00318758/step, 0.952202 hours remaining, 235.007812 MB of memory in use. ENERGY: 3924600 3969.9937 20439.6825 14469.5695 230.7507 -203660.2898 2833.5799 0.0000 0.0000 51994.3766 -109722.3369 298.8124 -161716.7135 -109365.6368 298.3822 39.0302 62.5495 762231.8379 -5.6983 -5.6254 PRESSURE: 3924800 273.024 -4.71244 -7.44162 -4.71264 185.706 -138.14 -7.44178 -138.141 228.597 GPRESSURE: 3924800 194.73 117.422 -32.2951 -72.0603 215.596 -127.699 -24.4471 -155.924 352.307 PRESSAVG: 3924800 -41.8878 -8.7577 12.3089 -8.75768 41.0743 -81.652 12.3089 -81.652 2.39205 GPRESSAVG: 3924800 -41.8837 -7.95809 12.6078 -8.05318 39.5654 -80.6998 13.1746 -83.0763 3.5255 TIMING: 3924800 CPU: 12403.5, 0.00320381/step Wall: 12403.5, 0.00320381/step, 0.956871 hours remaining, 235.007812 MB of memory in use. ENERGY: 3924800 3929.9498 20543.1913 14418.2249 267.7653 -204067.0996 2993.7995 0.0000 0.0000 52407.1139 -109507.0550 301.1844 -161914.1689 -109130.1400 298.6006 229.1091 254.2110 759217.4526 0.5262 0.4024 PRESSURE: 3925000 -196.619 -113.879 25.9415 -113.879 -143.015 171.899 25.9415 171.899 -209.698 GPRESSURE: 3925000 -143.475 -94.2118 111.118 -107.532 -81.5605 112.884 110.601 208.096 -228.266 PRESSAVG: 3925000 -21.072 -12.3719 31.6112 -12.3719 -3.79271 34.5769 31.6112 34.577 -0.617592 GPRESSAVG: 3925000 -20.288 -14.5028 31.604 -11.102 -3.22497 35.2595 32.0671 36.1152 -1.64742 TIMING: 3925000 CPU: 12404.1, 0.00316934/step Wall: 12404.1, 0.00316934/step, 0.946399 hours remaining, 235.007812 MB of memory in use. ENERGY: 3925000 4050.3824 20592.9776 14514.6585 252.2014 -203466.9831 2613.4058 0.0000 0.0000 52171.1777 -109272.1797 299.8285 -161443.3574 -108906.0062 299.5678 -183.1104 -151.1004 761442.1016 -8.4941 -8.3868 PRESSURE: 3925200 75.4692 170.836 -263.162 170.836 -183.905 -111.123 -263.161 -111.123 -59.8332 GPRESSURE: 3925200 119.987 107.195 -277.353 108.192 -113.745 -157.962 -288.322 -82.6304 -97.8532 PRESSAVG: 3925200 -2.26711 -4.81788 56.0136 -4.81792 54.6585 -21.1192 56.0136 -21.1192 4.34249 GPRESSAVG: 3925200 -1.65406 -3.94336 54.2449 -6.05066 54.0248 -20.8999 55.6042 -21.8732 4.70846 TIMING: 3925200 CPU: 12404.7, 0.0031644/step Wall: 12404.7, 0.0031644/step, 0.944748 hours remaining, 235.007812 MB of memory in use. ENERGY: 3925200 3978.2506 20631.8443 14463.7976 242.2279 -203367.7525 2607.2546 0.0000 0.0000 52168.8212 -109275.5562 299.8149 -161444.3775 -108893.4618 299.3538 -56.0895 -30.5370 761014.8474 18.9113 19.0264 PRESSURE: 3925400 316.009 -128.304 -109.822 -128.304 -97.4904 171.65 -109.822 171.65 37.4461 GPRESSURE: 3925400 199.186 -95.5987 -147.342 -42.5375 32.6756 246.221 -56.5562 88.0294 113.143 PRESSAVG: 3925400 1.37528 17.874 59.121 17.874 -29.935 -33.6448 59.121 -33.6449 14.4115 GPRESSAVG: 3925400 0.0747451 18.6446 59.7688 19.1098 -29.7398 -33.6354 57.9066 -35.4834 15.0882 TIMING: 3925400 CPU: 12405.4, 0.00316302/step Wall: 12405.4, 0.00316302/step, 0.944162 hours remaining, 235.007812 MB of memory in use. ENERGY: 3925400 3988.0634 20505.2615 14467.9862 253.6417 -203234.7517 2658.5875 0.0000 0.0000 52051.0608 -109310.1506 299.1382 -161361.2114 -108933.7937 299.8510 85.3216 115.0015 761803.7285 -4.7161 -4.8589 PRESSURE: 3925600 -230.468 -69.4405 40.6517 -69.4411 -219.318 -101.859 40.6523 -101.858 191.316 GPRESSURE: 3925600 -166.719 17.498 122.133 -29.0397 -142.245 -134.831 -45.5026 -50.4673 140.273 PRESSAVG: 3925600 12.9424 17.4078 22.7978 17.4077 -36.2428 25.3927 22.7979 25.3927 25.2884 GPRESSAVG: 3925600 13.45 16.0667 24.6563 17.3214 -36.1002 23.9558 23.8751 25.7357 24.7744 TIMING: 3925600 CPU: 12406, 0.00317595/step Wall: 12406, 0.00317595/step, 0.947845 hours remaining, 235.007812 MB of memory in use. ENERGY: 3925600 3942.5079 20503.4674 14494.5710 241.2337 -203182.6129 2402.0694 0.0000 0.0000 52275.1463 -109323.6172 300.4260 -161598.7636 -108959.5596 299.8341 -86.1570 -56.2301 761951.0744 0.6627 0.7081 PRESSURE: 3925800 -324.036 -181.266 7.04263 -181.265 -294.423 -352.868 7.04316 -352.868 102.252 GPRESSURE: 3925800 -297.772 -96.044 71.6547 -291.098 -275.553 -233.728 -7.03793 -260.548 140.132 PRESSAVG: 3925800 39.5552 -29.3332 56.4763 -29.3333 2.06155 -51.8622 56.4762 -51.8622 16.521 GPRESSAVG: 3925800 39.3935 -28.1597 56.209 -29.6748 2.30446 -50.1876 56.0904 -53.0096 16.6288 TIMING: 3925800 CPU: 12406.6, 0.00317134/step Wall: 12406.6, 0.00317134/step, 0.946292 hours remaining, 235.007812 MB of memory in use. ENERGY: 3925800 3999.1986 20647.2189 14491.3410 243.0947 -202824.1427 2456.1600 0.0000 0.0000 51929.8611 -109057.2684 298.4416 -160987.1295 -108706.7672 299.7481 -172.0690 -144.3980 762533.8410 19.3793 19.4422 PRESSURE: 3926000 -308.715 6.59847 197.589 6.59802 -355.46 -8.296 197.588 -8.29527 -254.876 GPRESSURE: 3926000 -284.58 66.2006 267.062 24.1238 -295.08 -88.8289 253.97 -99.3886 -237.829 PRESSAVG: 3926000 0.851275 -18.3281 -15.8452 -18.3281 -12.5609 -29.4847 -15.8451 -29.4848 -28.1982 GPRESSAVG: 3926000 1.86075 -18.6215 -16.3438 -17.1196 -13.5561 -32.1603 -17.1751 -28.0917 -27.6409 TIMING: 3926000 CPU: 12407.3, 0.00318352/step Wall: 12407.3, 0.00318352/step, 0.949749 hours remaining, 235.007812 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: 3926000 3997.1907 20621.6052 14452.0412 251.2870 -203223.7907 2435.6987 0.0000 0.0000 52126.4438 -109339.5241 299.5714 -161465.9679 -108983.8252 299.7966 -306.3502 -272.4963 761941.3642 -13.3026 -13.1121 PRESSURE: 3926200 494.218 -259.715 -81.7013 -259.716 329.104 168.403 -81.7017 168.404 -62.6338 GPRESSURE: 3926200 473.598 -273.729 -151.33 -273.877 297.987 203.65 -58.1805 -71.9954 59.3464 PRESSAVG: 3926200 27.498 -64.4976 -28.8135 -64.4976 -20.922 -17.372 -28.8135 -17.372 31.6865 GPRESSAVG: 3926200 26.3469 -64.2707 -28.0713 -64.9034 -19.8002 -13.9764 -28.8439 -19.5765 30.9615 TIMING: 3926200 CPU: 12407.9, 0.00315092/step Wall: 12407.9, 0.00315092/step, 0.93985 hours remaining, 235.007812 MB of memory in use. ENERGY: 3926200 4009.7698 20562.2561 14425.1102 229.5160 -203633.0250 2684.9848 0.0000 0.0000 52286.1717 -109435.2164 300.4893 -161721.3881 -109076.9148 299.3211 253.5624 276.9774 760624.8404 12.7542 12.5027 PRESSURE: 3926400 -253.66 15.3844 -126.458 15.3844 -97.8234 -204.041 -126.459 -204.04 -324.854 GPRESSURE: 3926400 -280.639 -65.5466 -130.562 -112.198 -39.0146 -206.01 -159.092 -216.957 -249.134 PRESSAVG: 3926400 0.618914 -14.8849 43.0285 -14.8849 48.1228 -1.61322 43.0285 -1.61323 33.3545 GPRESSAVG: 3926400 1.90579 -14.7807 43.9191 -14.263 47.75 -2.59151 43.1333 -0.870842 32.3909 TIMING: 3926400 CPU: 12408.5, 0.00315035/step Wall: 12408.5, 0.00315035/step, 0.939504 hours remaining, 235.007812 MB of memory in use. ENERGY: 3926400 4019.1046 20456.0211 14497.5696 250.8896 -203396.5101 2676.5262 0.0000 0.0000 52044.5630 -109451.8360 299.1008 -161496.3989 -109093.5101 299.1837 -225.4458 -189.5958 761551.3911 27.3654 27.3489 PRESSURE: 3926600 90.5214 16.9537 256.738 16.9542 -107.818 97.9422 256.738 97.9423 62.3857 GPRESSURE: 3926600 80.5438 -17.4799 229.064 -10.1977 -112.818 64.2985 258.615 176.742 174.039 PRESSAVG: 3926600 -56.7114 -15.8276 -37.2691 -15.8276 5.62025 4.40779 -37.2691 4.40786 -2.08574 GPRESSAVG: 3926600 -58.1383 -17.2899 -38.7343 -16.6283 5.65127 1.81989 -37.1302 6.16724 -0.914225 TIMING: 3926600 CPU: 12409.2, 0.00315658/step Wall: 12409.2, 0.00315658/step, 0.941186 hours remaining, 235.007812 MB of memory in use. ENERGY: 3926600 4030.9222 20518.6740 14428.2187 242.1166 -202978.8354 2532.9530 0.0000 0.0000 51764.8424 -109461.1085 297.4933 -161225.9509 -109108.4090 298.2824 15.0297 47.2549 762040.4460 -17.7256 -17.8004 PRESSURE: 3926800 -157.555 80.2521 154.877 80.2526 -116.792 -148.34 154.876 -148.341 96.7419 GPRESSURE: 3926800 -167.411 2.11744 194.876 18.0465 -72.3784 -220.942 97.7493 -188.995 156.043 PRESSAVG: 3926800 32.0514 -4.2733 5.92749 -4.2733 -40.1355 11.7213 5.92752 11.7213 6.30835 GPRESSAVG: 3926800 32.5833 -2.88911 5.42239 -5.50797 -40.1416 13.4866 7.81428 11.3744 6.12514 TIMING: 3926800 CPU: 12409.8, 0.00316417/step Wall: 12409.8, 0.00316417/step, 0.943275 hours remaining, 235.007812 MB of memory in use. ENERGY: 3926800 4012.5232 20334.6182 14457.9424 227.5454 -202847.5976 2355.9114 0.0000 0.0000 51961.5513 -109497.5057 298.6237 -161459.0570 -109143.2852 298.3284 -59.2017 -27.9155 761811.2121 -0.5919 -0.4777 PRESSURE: 3927000 -23.014 54.6807 95.7051 54.6809 64.784 38.2791 95.7058 38.2782 118.755 GPRESSURE: 3927000 10.4545 12.7244 18.6679 9.9965 91.3254 27.9007 184.15 66.324 151.332 PRESSAVG: 3927000 -15.8712 -18.0994 2.55195 -18.0994 10.3525 -29.6877 2.552 -29.6876 -7.34276 GPRESSAVG: 3927000 -16.3167 -18.5627 4.5812 -16.0408 10.4809 -28.4883 0.85775 -31.0064 -7.10518 TIMING: 3927000 CPU: 12410.4, 0.00315555/step Wall: 12410.4, 0.00315555/step, 0.94053 hours remaining, 235.007812 MB of memory in use. ENERGY: 3927000 3850.7800 20161.9802 14456.7640 218.1428 -202619.2400 2199.9655 0.0000 0.0000 52140.1962 -109591.4113 299.6504 -161731.6075 -109216.2441 298.4200 53.5084 84.3706 760857.8292 -4.2872 -4.3137 PRESSURE: 3927200 -109.656 -164.037 35.3115 -164.037 259.733 -165.504 35.3117 -165.504 41.7329 GPRESSURE: 3927200 -104.584 -232.698 101.48 -169.377 266.718 -87.1313 -158.655 -222.884 121.883 PRESSAVG: 3927200 20.8845 -55.047 -1.74919 -55.047 -2.63038 4.01618 -1.74921 4.01617 12.6928 GPRESSAVG: 3927200 20.777 -53.1866 -2.82558 -57.0903 -1.33027 3.36554 -0.368509 3.38868 11.6604 TIMING: 3927200 CPU: 12411.1, 0.00316318/step Wall: 12411.1, 0.00316318/step, 0.942629 hours remaining, 235.007812 MB of memory in use. ENERGY: 3927200 3943.0722 20472.9297 14458.8228 236.7809 -202970.7313 2526.8136 0.0000 0.0000 51817.5862 -109514.7258 297.7964 -161332.3119 -109147.6265 298.4725 63.9368 94.6720 759885.7853 10.3157 10.3690 PRESSURE: 3927400 -369.732 -51.2244 25.0926 -51.2245 -146.289 22.6618 25.0929 22.6615 179.043 GPRESSURE: 3927400 -302.505 -110.013 -22.177 39.8829 -185.538 -85.7608 -102.138 195.523 226.88 PRESSAVG: 3927400 -9.87238 -103.193 -15.3087 -103.193 -12.9928 35.326 -15.3087 35.326 -15.3715 GPRESSAVG: 3927400 -10.1619 -103.454 -16.787 -103.537 -14.6946 36.2135 -18.4279 36.3418 -13.5503 TIMING: 3927400 CPU: 12411.7, 0.00314606/step Wall: 12411.7, 0.00314606/step, 0.937352 hours remaining, 235.007812 MB of memory in use. ENERGY: 3927400 3878.5414 20487.6058 14498.0321 248.1568 -202910.7841 2422.3400 0.0000 0.0000 52016.6046 -109359.5033 298.9401 -161376.1079 -108999.7204 298.9541 -112.3258 -87.0542 760359.1467 -12.7456 -12.8023 PRESSURE: 3927600 -121.68 -5.14444 87.685 -5.14309 72.6102 142.339 87.6849 142.34 -259.584 GPRESSURE: 3927600 -109.362 48.2164 135.325 34.7758 104.609 85.2979 151.865 171.444 -227.911 PRESSAVG: 3927600 -1.91566 29.9449 -12.3263 29.945 23.7029 38.4788 -12.3263 38.4789 6.81021 GPRESSAVG: 3927600 -0.156918 29.1715 -9.62838 31.2304 22.4469 38.0604 -10.6022 40.1046 6.15447 TIMING: 3927600 CPU: 12412.3, 0.00316971/step Wall: 12412.3, 0.00316971/step, 0.944222 hours remaining, 235.007812 MB of memory in use. ENERGY: 3927600 3969.5266 20531.8708 14467.3279 247.3490 -203035.5499 2444.6155 0.0000 0.0000 52034.9406 -109339.9194 299.0455 -161374.8600 -108963.3806 299.2144 -102.8849 -77.5547 761585.4233 9.5325 9.4815 PRESSURE: 3927800 -166.582 99.984 -36.533 99.9845 -132.828 107.813 -36.5328 107.814 -34.0125 GPRESSURE: 3927800 -122.337 68.8653 -94.2121 42.4176 -160.346 156.106 -110.612 -56.8451 26.7139 PRESSAVG: 3927800 -62.8016 -15.2741 10.2337 -15.2741 47.479 33.773 10.2338 33.773 -3.52186 GPRESSAVG: 3927800 -65.0301 -15.9957 9.13316 -14.793 48.9234 32.9354 10.2113 32.7984 -2.73777 TIMING: 3927800 CPU: 12412.9, 0.00316018/step Wall: 12412.9, 0.00316018/step, 0.941208 hours remaining, 235.007812 MB of memory in use. ENERGY: 3927800 4015.2579 20557.2834 14473.3701 258.9118 -203145.5028 2531.8326 0.0000 0.0000 51935.0490 -109373.7979 298.4714 -161308.8470 -109021.3666 299.1117 -111.1410 -85.3231 760530.6113 -6.2815 -6.2815 PRESSURE: 3928000 89.4369 63.1848 -27.5625 63.1845 362.39 -127.357 -27.5622 -127.356 -238.651 GPRESSURE: 3928000 133.991 9.91813 -94.6156 12.9317 340.895 -97.3819 -54.0991 -21.1711 -175.842 PRESSAVG: 3928000 13.2144 10.3502 -10.4395 10.3502 0.75291 35.0709 -10.4395 35.071 11.9665 GPRESSAVG: 3928000 14.2053 9.79487 -10.6665 9.75759 -0.220432 35.417 -6.52714 34.1132 11.8953 TIMING: 3928000 CPU: 12413.6, 0.00315599/step Wall: 12413.6, 0.00315599/step, 0.939785 hours remaining, 235.007812 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: 3928000 4056.7387 20368.2263 14480.6544 239.8664 -203582.2012 2859.2008 0.0000 0.0000 52069.2151 -109508.2995 299.2425 -161577.5146 -109146.9474 299.3882 71.0585 99.6816 758787.3273 8.6446 8.6267 PRESSURE: 3928200 -425.248 112.039 128.31 112.039 -466.647 -42.5735 128.309 -42.5747 -11.8163 GPRESSURE: 3928200 -362.623 121.346 76.7058 -18.9314 -434.495 -74.2099 135.007 -3.3381 -34.6454 PRESSAVG: 3928200 32.7528 -66.51 17.4558 -66.51 -11.6516 35.4583 17.4559 35.4583 23.3075 GPRESSAVG: 3928200 32.1647 -65.9842 17.9964 -66.1431 -11.3414 35.0966 15.2803 36.8665 23.8078 TIMING: 3928200 CPU: 12414.2, 0.00319147/step Wall: 12414.2, 0.00319147/step, 0.950172 hours remaining, 235.007812 MB of memory in use. ENERGY: 3928200 4039.7426 20385.2875 14477.6438 239.4878 -203338.8884 2533.7670 0.0000 0.0000 52173.0843 -109489.8754 299.8394 -161662.9597 -109114.8013 299.0199 -301.2371 -277.2546 761828.8881 14.8029 14.8771 LDB: ============= START OF LOAD BALANCING ============== 12426.7 LDB: ============== END OF LOAD BALANCING =============== 12426.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12426.7 LDB: ============= START OF LOAD BALANCING ============== 12427.1 LDB: Largest compute 7066 load 0.033299 is 17.0% of average load 0.195505 LDB: Average compute 0.004402 is 2.3% of average load 0.195505 LDB: TIME 12427.1 LOAD: AVG 0.195505 MAX 0.211625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.273 MB LDB: TIME 12427.1 LOAD: AVG 0.195505 MAX 0.211625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: TIME 12427.1 LOAD: AVG 0.195505 MAX 0.211625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.477 MB LDB: ============== END OF LOAD BALANCING =============== 12427.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12427.1 PRESSURE: 3928400 94.5833 -184.996 53.5836 -184.997 77.9248 -78.317 53.5843 -78.317 192.954 GPRESSURE: 3928400 143.536 -126.627 10.6082 -184.299 96.5108 -157.585 58.0233 -118.338 220.322 PRESSAVG: 3928400 7.73784 -25.4176 7.24981 -25.4176 -16.7329 -6.34305 7.24979 -6.34308 -25.9554 GPRESSAVG: 3928400 7.81355 -24.5802 7.04694 -27.9297 -16.4186 -6.98446 7.03956 -7.62271 -26.5292 TIMING: 3928400 CPU: 12414.9, 0.00322871/step Wall: 12414.9, 0.00322871/step, 0.96108 hours remaining, 236.281250 MB of memory in use. ENERGY: 3928400 3960.2565 20525.6387 14430.0709 241.3984 -203404.0197 2965.5986 0.0000 0.0000 51865.8788 -109415.1777 298.0739 -161281.0565 -109057.8626 299.6060 121.8208 153.4564 763491.1870 -11.6502 -11.7114 PRESSURE: 3928600 -20.6679 149.363 -22.727 149.364 -506.202 16.2423 -22.7269 16.2426 -103.918 GPRESSURE: 3928600 -54.2822 76.7848 -65.9787 107.998 -424.548 -22.6172 73.9603 130.029 -80.1315 PRESSAVG: 3928600 -45.0695 -38.8918 2.39818 -38.8918 32.8992 -26.3494 2.39814 -26.3493 25.8161 GPRESSAVG: 3928600 -45.3518 -39.5451 2.99585 -35.095 32.7914 -25.7209 4.03901 -24.2422 26.1689 TIMING: 3928600 CPU: 12415.5, 0.00316105/step Wall: 12415.5, 0.00316105/step, 0.940763 hours remaining, 236.351562 MB of memory in use. ENERGY: 3928600 4090.2086 20601.2034 14547.5345 259.5621 -203493.1919 2458.7502 0.0000 0.0000 52066.3415 -109469.5917 299.2260 -161535.9332 -109110.0473 299.9063 -210.2628 -186.3205 762142.1776 4.5486 4.5362 PRESSURE: 3928800 -30.2725 -116.747 53.8074 -116.747 -229.183 66.3608 53.8077 66.3592 249.821 GPRESSURE: 3928800 -31.0219 -115.282 42.3256 -143.895 -146.657 6.30416 98.0975 27.6931 269.051 PRESSAVG: 3928800 -31.1844 -34.2009 6.60222 -34.2008 -6.00254 -17.0151 6.6023 -17.0151 -18.4235 GPRESSAVG: 3928800 -31.553 -33.1294 6.74436 -36.9719 -5.26277 -18.9657 6.80016 -17.7628 -19.3215 TIMING: 3928800 CPU: 12416.1, 0.00317113/step Wall: 12416.1, 0.00317113/step, 0.943587 hours remaining, 236.351562 MB of memory in use. ENERGY: 3928800 3952.6417 20546.3409 14546.8212 236.2111 -203985.6675 2885.2035 0.0000 0.0000 52198.7479 -109619.7011 299.9869 -161818.4491 -109253.0936 299.1291 -3.2117 30.4574 762272.5733 -18.5368 -18.7124 PRESSURE: 3929000 -20.8058 -127.765 33.6356 -127.765 -92.9937 38.1199 33.6364 38.1192 145.782 GPRESSURE: 3929000 16.0147 -98.6699 94.6077 -130.507 -29.3412 86.2167 -37.7026 64.8248 135.556 PRESSAVG: 3929000 8.05261 -44.0346 49.1235 -44.0345 26.6118 65.9167 49.1235 65.9166 -7.73402 GPRESSAVG: 3929000 8.40826 -44.0173 49.4724 -44.4772 25.8135 68.8694 48.4157 64.3562 -7.41619 TIMING: 3929000 CPU: 12416.8, 0.00317056/step Wall: 12416.8, 0.00317056/step, 0.943242 hours remaining, 236.351562 MB of memory in use. ENERGY: 3929000 3984.4126 20531.3352 14485.8549 234.8281 -203971.4866 2708.0176 0.0000 0.0000 52210.4597 -109816.5786 300.0542 -162027.0384 -109454.0175 298.5165 10.6609 40.7433 761674.7371 8.9768 8.9352 PRESSURE: 3929200 -115.027 47.598 -150.322 47.5981 -9.82241 -237.113 -150.322 -237.113 140.923 GPRESSURE: 3929200 -46.9902 -124.712 -111.205 189.325 4.75141 -139.988 -60.8253 -154.788 162.305 PRESSAVG: 3929200 9.50738 -20.2898 40.8211 -20.2898 58.1878 22.9654 40.8211 22.9655 16.2249 GPRESSAVG: 3929200 8.04125 -22.2833 41.3257 -17.8001 59.1691 22.7562 40.7606 23.9301 16.8204 TIMING: 3929200 CPU: 12417.4, 0.00316337/step Wall: 12417.4, 0.00316337/step, 0.940927 hours remaining, 236.351562 MB of memory in use. ENERGY: 3929200 3950.2415 20417.8470 14466.7432 246.8571 -203435.8521 2601.4276 0.0000 0.0000 52025.7815 -109726.9543 298.9929 -161752.7358 -109370.4106 298.1722 5.3579 40.0220 763012.3490 27.9733 28.0103 PRESSURE: 3929400 -42.0485 -86.625 -51.2658 -86.6251 136.432 64.3288 -51.2663 64.3298 67.9956 GPRESSURE: 3929400 -2.15211 -138.42 -23.5588 -72.8594 161.836 -106.594 -144.687 2.84456 86.4571 PRESSAVG: 3929400 -64.0181 -34.1029 26.5016 -34.1029 20.9846 32.8731 26.5016 32.8731 6.1283 GPRESSAVG: 3929400 -61.8214 -30.5943 26.7644 -36.1858 20.1885 32.3177 25.0235 33.5152 5.00468 TIMING: 3929400 CPU: 12418, 0.00318857/step Wall: 12418, 0.00318857/step, 0.948246 hours remaining, 236.351562 MB of memory in use. ENERGY: 3929400 4024.1732 20416.5872 14358.1084 262.9915 -203861.7925 2972.3485 0.0000 0.0000 51742.5524 -110085.0313 297.3652 -161827.5837 -109734.6228 297.5147 54.1265 82.0470 762322.6558 -12.3017 -12.2094 PRESSURE: 3929600 77.9656 65.5961 -43.9517 65.5953 108.048 -65.9096 -43.9527 -65.9107 36.2691 GPRESSURE: 3929600 119.971 66.2635 -137.165 21.4709 192.167 -44.5737 -39.9696 -114.159 -16.7632 PRESSAVG: 3929600 -10.2322 -1.64246 36.8786 -1.64249 37.683 18.4828 36.8787 18.4828 -0.349568 GPRESSAVG: 3929600 -11.3525 -2.243 35.242 -2.95916 37.9613 19.0723 35.929 17.1646 0.677582 TIMING: 3929600 CPU: 12418.7, 0.00319836/step Wall: 12418.7, 0.00319836/step, 0.950978 hours remaining, 236.351562 MB of memory in use. ENERGY: 3929600 3968.0007 20544.9615 14470.4074 243.7446 -203748.7123 2809.9109 0.0000 0.0000 51699.8436 -110011.8435 297.1197 -161711.6872 -109642.3929 297.7290 74.0941 98.4582 762179.9036 9.0338 9.0955 PRESSURE: 3929800 -305.685 -30.5608 70.3237 -30.5601 -195.473 85.6791 70.3239 85.6783 112.183 GPRESSURE: 3929800 -305.255 -5.3349 121.853 -96.7585 -153.677 204.185 -26.701 145.24 162.85 PRESSAVG: 3929800 -24.8369 -10.5208 -7.3763 -10.5208 15.9257 -7.666 -7.37634 -7.66601 -5.3715 GPRESSAVG: 3929800 -23.302 -14.0481 -5.93137 -8.25578 14.5573 -6.8396 -6.4462 -5.43631 -5.12463 TIMING: 3929800 CPU: 12419.3, 0.00315718/step Wall: 12419.3, 0.00315718/step, 0.938559 hours remaining, 236.351562 MB of memory in use. ENERGY: 3929800 3941.5661 20593.1808 14493.8884 231.9545 -203692.5105 2647.1289 0.0000 0.0000 51870.8316 -109913.9601 298.1024 -161784.7917 -109559.4357 297.7085 -129.6583 -98.6940 762656.8131 -4.7609 -4.6231 PRESSURE: 3930000 38.8753 -118.512 46.9492 -118.513 -102.55 40.3494 46.9487 40.3491 -53.1084 GPRESSURE: 3930000 105.489 -106.742 103.046 -87.388 -93.0249 26.843 -55.7729 -107.317 -17.6812 PRESSAVG: 3930000 -3.08289 -24.6431 -38.5373 -24.6431 16.7032 23.4615 -38.5373 23.4615 -15.8372 GPRESSAVG: 3930000 -3.86957 -23.587 -39.4006 -25.214 18.1168 22.7951 -36.38 22.5291 -15.8286 TIMING: 3930000 CPU: 12419.9, 0.00317321/step Wall: 12419.9, 0.00317321/step, 0.943148 hours remaining, 236.351562 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: 3930000 4027.8356 20581.4620 14471.3613 243.1695 -203847.9916 2770.1601 0.0000 0.0000 51885.2538 -109868.7492 298.1853 -161754.0030 -109506.6267 297.8551 -38.9276 -1.7391 760588.1159 -0.7390 -0.5271 PRESSURE: 3930200 6.49847 -42.1171 -64.7197 -42.1182 65.9448 157.626 -64.7193 157.626 114.081 GPRESSURE: 3930200 29.1898 -42.7101 0.299989 -12.4808 142.794 104.865 -16.6514 382.634 86.5851 PRESSAVG: 3930200 -5.96581 2.05475 26.6371 2.0547 -21.9602 33.8924 26.6371 33.8924 20.7402 GPRESSAVG: 3930200 -6.24392 3.9921 28.2395 2.11524 -21.7082 33.8027 24.8882 34.3851 20.7312 TIMING: 3930200 CPU: 12420.6, 0.00318627/step Wall: 12420.6, 0.00318627/step, 0.946853 hours remaining, 236.351562 MB of memory in use. ENERGY: 3930200 4007.5881 20498.1396 14525.8776 236.9184 -203898.4769 2847.7735 0.0000 0.0000 51779.9070 -110002.2728 297.5798 -161782.1798 -109641.5989 298.2746 62.1746 86.1897 761614.6794 -2.3953 -2.4070 PRESSURE: 3930400 -109.355 -172.912 35.7132 -172.912 -41.6601 269.501 35.714 269.499 -176.375 GPRESSURE: 3930400 -64.3928 -148.157 -45.1689 -111.051 -33.1966 252.957 -45.1461 208.189 -130.023 PRESSAVG: 3930400 17.7379 -31.2401 -13.5153 -31.24 -9.56228 50.2686 -13.5154 50.2685 5.97793 GPRESSAVG: 3930400 18.4404 -33.2857 -13.5046 -29.6443 -10.3469 48.596 -13.8099 50.0345 6.08719 TIMING: 3930400 CPU: 12421.2, 0.00318258/step Wall: 12421.2, 0.00318258/step, 0.945581 hours remaining, 236.417969 MB of memory in use. ENERGY: 3930400 3947.3734 20522.1702 14493.6765 265.0520 -203881.9436 2837.3512 0.0000 0.0000 51998.1851 -109818.1350 298.8343 -161816.3201 -109450.7273 298.1532 -109.1302 -75.8709 761395.0597 4.7179 4.7269 PRESSURE: 3930600 -241.454 29.5184 -36.299 29.5188 -227.284 -20.1243 -36.2986 -20.1239 361.575 GPRESSURE: 3930600 -156.545 3.68335 -72.5805 -13.6352 -159.917 39.9342 67.178 -30.5808 275.326 PRESSAVG: 3930600 2.88573 -14.9774 -20.2011 -14.9773 -1.46977 25.2053 -20.2012 25.2053 -6.20372 GPRESSAVG: 3930600 2.29979 -13.9729 -20.7332 -14.0012 0.102591 26.5315 -20.9488 24.5166 -7.18487 TIMING: 3930600 CPU: 12421.8, 0.00317972/step Wall: 12421.8, 0.00317972/step, 0.944552 hours remaining, 236.417969 MB of memory in use. ENERGY: 3930600 3991.6915 20667.7727 14466.9532 256.3471 -204046.7866 2958.0171 0.0000 0.0000 51955.1883 -109750.8166 298.5872 -161706.0049 -109394.6031 298.6492 -35.7210 -13.7124 761706.5048 -1.5959 -1.5942 PRESSURE: 3930800 -30.6114 -43.9052 -90.2334 -43.9051 -103.97 -18.6406 -90.233 -18.6393 338.543 GPRESSURE: 3930800 33.6376 -63.4231 -123.53 -10.3113 -51.5614 -20.9598 -78.0994 13.5238 323.567 PRESSAVG: 3930800 13.1201 -8.18008 -1.12748 -8.18009 18.9586 2.20529 -1.12749 2.20531 13.2531 GPRESSAVG: 3930800 12.931 -9.93242 -0.689808 -7.32656 18.5967 0.439147 -0.174321 4.91062 14.1265 TIMING: 3930800 CPU: 12422.5, 0.00317863/step Wall: 12422.5, 0.00317863/step, 0.944053 hours remaining, 236.417969 MB of memory in use. ENERGY: 3930800 3988.3396 20561.8233 14507.2159 244.1832 -203454.1094 2748.5763 0.0000 0.0000 51895.2993 -109508.6718 298.2430 -161403.9711 -109144.8535 299.0180 67.9871 101.8810 762448.0290 15.1106 15.2181 PRESSURE: 3931000 -12.1552 -250.305 61.9352 -250.305 50.6335 167.038 61.9351 167.037 75.6475 GPRESSURE: 3931000 36.688 -153.795 32.74 -330.571 91.3021 197.818 110.639 96.2549 65.6912 PRESSAVG: 3931000 -34.3258 -14.6101 39.6701 -14.6102 60.4288 24.4474 39.6701 24.4475 19.2653 GPRESSAVG: 3931000 -33.2866 -13.1989 40.3601 -19.0574 60.9352 26.5757 39.5548 20.6881 18.2551 TIMING: 3931000 CPU: 12423.1, 0.00318549/step Wall: 12423.1, 0.00318549/step, 0.945913 hours remaining, 236.417969 MB of memory in use. ENERGY: 3931000 4033.2525 20577.4305 14520.4423 265.1683 -203715.7537 2778.7535 0.0000 0.0000 52047.5857 -109493.1208 299.1182 -161540.7065 -109137.6831 299.1009 38.0419 64.5605 763032.5342 15.1227 15.3012 PRESSURE: 3931200 -320.817 -97.6253 -107.764 -97.6242 -104.744 -10.4204 -107.764 -10.421 -429.345 GPRESSURE: 3931200 -285.781 -187.99 -102.854 -85.4174 -114.106 31.4988 -78.8533 56.8194 -374.669 PRESSAVG: 3931200 -1.11857 -24.2077 50.7495 -24.2078 15.0468 -19.4998 50.7495 -19.4998 8.92759 GPRESSAVG: 3931200 -0.146115 -25.3012 49.4153 -23.493 13.4671 -19.6156 51.6028 -16.6921 9.02893 TIMING: 3931200 CPU: 12423.8, 0.00318913/step Wall: 12423.8, 0.00318913/step, 0.946817 hours remaining, 236.417969 MB of memory in use. ENERGY: 3931200 3969.9626 20649.3320 14538.8011 249.8121 -203328.2115 2284.1070 0.0000 0.0000 52282.2107 -109353.9859 300.4666 -161636.1967 -108991.3865 299.1340 -284.9684 -258.1855 763640.7278 7.6186 7.4500 PRESSURE: 3931400 -63.0863 126.892 168.671 126.892 220.686 -39.3887 168.671 -39.3892 -410.008 GPRESSURE: 3931400 58.4546 66.5653 229.72 239.331 123.306 -82.6455 79.0572 -124.227 -367.119 PRESSAVG: 3931400 -23.8127 -10.8187 86.8981 -10.8187 -4.68139 34.7012 86.8981 34.7011 -14.2158 GPRESSAVG: 3931400 -23.7142 -11.3143 87.5273 -10.6134 -4.42595 34.6319 84.4465 33.2771 -14.2903 TIMING: 3931400 CPU: 12424.4, 0.0031738/step Wall: 12424.4, 0.0031738/step, 0.942091 hours remaining, 236.417969 MB of memory in use. ENERGY: 3931400 4011.0130 20630.0854 14542.1136 237.8214 -203651.9698 2676.0949 0.0000 0.0000 52190.5625 -109364.2792 299.9399 -161554.8417 -109001.4938 299.0321 -84.1359 -61.7863 761542.9977 -14.2366 -14.1435 PRESSURE: 3931600 272.876 -166.245 45.9621 -166.245 -48.9974 -39.9315 45.962 -39.9311 -182.705 GPRESSURE: 3931600 259.562 -81.5958 -31.2784 -46.2583 -30.8247 -101.87 -12.9023 -21.0901 -122.093 PRESSAVG: 3931600 13.9358 -5.63191 25.7363 -5.63192 45.2328 -8.85868 25.7364 -8.8587 -0.53225 GPRESSAVG: 3931600 12.5072 -5.57671 24.8918 -4.11219 45.9721 -8.95222 27.1406 -8.92945 0.118399 TIMING: 3931600 CPU: 12425, 0.00318023/step Wall: 12425, 0.00318023/step, 0.943822 hours remaining, 236.417969 MB of memory in use. ENERGY: 3931600 4045.0033 20671.9450 14463.9538 245.5881 -203436.2195 2415.8330 0.0000 0.0000 52093.5409 -109500.3554 299.3823 -161593.8963 -109140.6792 299.1214 13.7246 35.5481 761021.9258 19.5454 19.5325 PRESSURE: 3931800 -124.265 -234.295 -85.8748 -234.294 -229.083 101.624 -85.874 101.625 215.406 GPRESSURE: 3931800 -86.988 -218.97 -46.702 -199.797 -215.165 163.174 -31.3524 105.118 255.738 PRESSAVG: 3931800 25.8225 -29.2665 -24.8745 -29.2665 -5.53885 41.8917 -24.8744 41.8918 -12.3901 GPRESSAVG: 3931800 26.4689 -27.3802 -24.0463 -30.3587 -6.29776 41.9892 -23.9639 41.8291 -11.9283 TIMING: 3931800 CPU: 12425.7, 0.00317036/step Wall: 12425.7, 0.00317036/step, 0.940715 hours remaining, 236.417969 MB of memory in use. ENERGY: 3931800 3978.6928 20558.1365 14542.3404 234.8533 -203344.1305 2693.0021 0.0000 0.0000 51827.2796 -109509.8257 297.8521 -161337.1053 -109150.5246 298.8752 -45.9807 -15.4716 762006.3422 2.6312 2.7476 PRESSURE: 3932000 -212.382 -161.144 81.5343 -161.145 -214.388 89.9774 81.5344 89.9786 95.9425 GPRESSURE: 3932000 -276.158 -124.758 -50.3981 -239.177 -48.143 39.0065 79.2954 231.395 78.1254 PRESSAVG: 3932000 26.5424 -28.6291 9.48484 -28.6292 16.7262 49.4717 9.48486 49.4716 -11.3741 GPRESSAVG: 3932000 26.7501 -29.5448 9.16282 -29.5834 16.5745 48.6325 9.8014 50.5106 -11.3424 TIMING: 3932000 CPU: 12426.3, 0.00315753/step Wall: 12426.3, 0.00315753/step, 0.936732 hours remaining, 236.417969 MB of memory 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 4015.9827 20719.1717 14547.8098 254.5656 -203525.4889 2615.9975 0.0000 0.0000 52101.2681 -109270.6934 299.4267 -161371.9616 -108910.5786 299.4426 -110.2757 -82.0584 761833.5942 10.6315 10.6607 PRESSURE: 3932200 32.1463 -42.5553 127.824 -42.555 -16.5519 1.34366 127.823 1.34391 215.843 GPRESSURE: 3932200 106.816 30.5448 160.512 -90.336 19.1782 57.9471 31.2467 18.9553 200.843 PRESSAVG: 3932200 -36.8765 8.29719 42.7659 8.29719 36.7804 -13.6176 42.7659 -13.6176 23.4248 GPRESSAVG: 3932200 -37.5452 11.3947 43.0733 7.65296 38.676 -12.0443 41.917 -14.973 22.5031 TIMING: 3932200 CPU: 12426.9, 0.0031797/step Wall: 12426.9, 0.0031797/step, 0.943135 hours remaining, 236.417969 MB of memory in use. ENERGY: 3932200 4021.2290 20563.5224 14561.9738 253.9691 -203749.2002 2864.2476 0.0000 0.0000 52196.7316 -109287.5266 299.9753 -161484.2583 -108916.3411 299.4428 77.1460 108.9458 760386.4665 7.7763 7.8780 LDB: ============= START OF LOAD BALANCING ============== 12439.5 LDB: ============== END OF LOAD BALANCING =============== 12439.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12439.5 LDB: ============= START OF LOAD BALANCING ============== 12439.8 LDB: Largest compute 7031 load 0.035169 is 18.0% of average load 0.195527 LDB: Average compute 0.004389 is 2.2% of average load 0.195527 LDB: TIME 12439.8 LOAD: AVG 0.195527 MAX 0.214376 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.547 MB LDB: TIME 12439.8 LOAD: AVG 0.195527 MAX 0.214376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.785 MB LDB: TIME 12439.8 LOAD: AVG 0.195527 MAX 0.214376 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.785 MB LDB: ============== END OF LOAD BALANCING =============== 12439.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12439.8 PRESSURE: 3932400 -272.768 -72.8763 -27.0621 -72.8764 -91.178 -108.139 -27.0614 -108.139 100.674 GPRESSURE: 3932400 -203.423 -47.0877 -72.3159 -66.028 -69.3327 -79.5513 51.5612 11.4731 80.8315 PRESSAVG: 3932400 45.4088 -35.2834 -23.4168 -35.2833 -12.6454 -55.5729 -23.4167 -55.573 -13.0464 GPRESSAVG: 3932400 46.9563 -38.392 -22.4404 -33.3986 -14.3293 -55.2393 -24.2565 -53.7327 -13.1657 TIMING: 3932400 CPU: 12427.6, 0.003245/step Wall: 12427.6, 0.003245/step, 0.962322 hours remaining, 236.164062 MB of memory in use. ENERGY: 3932400 3998.2121 20578.4319 14458.2154 241.4486 -203675.7718 2706.1998 0.0000 0.0000 52175.2337 -109518.0303 299.8518 -161693.2640 -109145.7271 299.6338 -87.7571 -63.9747 760456.6572 6.5723 6.4871 PRESSURE: 3932600 -61.1696 104.665 -87.5647 104.664 -263.993 -286.145 -87.5657 -286.146 -155.452 GPRESSURE: 3932600 -0.676913 0.288263 -54.7033 80.0856 -252.919 -213.526 -209.201 -231.224 -162.4 PRESSAVG: 3932600 34.7219 -56.9869 2.95439 -56.9869 5.12413 5.98796 2.95444 5.988 9.21086 GPRESSAVG: 3932600 34.1358 -56.8232 1.92526 -58.0077 4.58579 4.58081 2.35183 6.19954 9.44868 TIMING: 3932600 CPU: 12428.2, 0.00318305/step Wall: 12428.2, 0.00318305/step, 0.943774 hours remaining, 236.164062 MB of memory in use. ENERGY: 3932600 4065.1984 20489.4035 14517.9828 255.9752 -203449.9695 2426.1965 0.0000 0.0000 52044.5992 -109650.6139 299.1010 -161695.2131 -109294.1185 299.3977 -160.2049 -138.6650 761076.6919 16.3523 16.0568 PRESSURE: 3932800 179.266 44.6486 -130.589 44.6491 -23.7973 32.2175 -130.589 32.2175 198.537 GPRESSURE: 3932800 118.2 -75.8183 -51.3501 50.8533 141.644 62.2086 -172.192 -67.3912 182.341 PRESSAVG: 3932800 2.3655 -74.8474 -10.9434 -74.8474 -0.700912 -22.8084 -10.9434 -22.8084 -3.17738 GPRESSAVG: 3932800 1.59331 -74.5331 -11.5487 -73.5436 0.80907 -22.3232 -8.32684 -25.6074 -3.47597 TIMING: 3932800 CPU: 12428.8, 0.00316754/step Wall: 12428.8, 0.00316754/step, 0.938999 hours remaining, 236.164062 MB of memory in use. ENERGY: 3932800 4011.8747 20415.2791 14563.1515 267.9229 -203293.4716 2519.0375 0.0000 0.0000 51751.1781 -109765.0277 297.4147 -161516.2058 -109402.5692 298.4842 118.0020 147.3948 760976.7365 -0.5043 -0.3579 PRESSURE: 3933000 18.2589 -144.106 -167.164 -144.106 -165.309 -44.7401 -167.164 -44.7414 300.976 GPRESSURE: 3933000 72.4172 -159.893 -71.1468 -290.634 -135.637 -21.549 -232.617 -54.4794 316.513 PRESSAVG: 3933000 -38.7772 -31.9223 18.2388 -31.9223 54.147 -45.1721 18.2389 -45.1721 25.1553 GPRESSAVG: 3933000 -37.9012 -33.5225 20.1051 -31.9028 53.0274 -45.7247 17.0705 -43.9915 26.0977 TIMING: 3933000 CPU: 12429.5, 0.00315673/step Wall: 12429.5, 0.00315673/step, 0.935619 hours remaining, 236.164062 MB of memory in use. ENERGY: 3933000 3985.5920 20399.4574 14488.7928 244.6271 -203408.0630 2699.2275 0.0000 0.0000 52072.5979 -109517.7683 299.2619 -161590.3662 -109143.7665 298.6464 51.3085 84.4308 761401.2029 13.5083 13.7413 PRESSURE: 3933200 -502.936 -88.7198 110.236 -88.7196 -269.462 46.4754 110.237 46.4751 219.54 GPRESSURE: 3933200 -509.358 -164.173 176.599 -78.3101 -182.98 33.355 88.482 98.0776 219.521 PRESSAVG: 3933200 -29.0312 -49.9823 48.8014 -49.9823 0.895271 -46.1694 48.8015 -46.1695 -32.1083 GPRESSAVG: 3933200 -30.1639 -49.347 46.8911 -51.4327 1.39354 -46.8729 47.9512 -46.2061 -31.7672 TIMING: 3933200 CPU: 12430.1, 0.00315196/step Wall: 12430.1, 0.00315196/step, 0.934032 hours remaining, 236.164062 MB of memory in use. ENERGY: 3933200 3964.7222 20460.9635 14452.9936 268.5606 -203114.1615 2399.5152 0.0000 0.0000 52033.2021 -109534.2042 299.0355 -161567.4063 -109172.7570 299.0546 -184.2859 -157.6059 762914.1608 -20.0814 -20.1792 PRESSURE: 3933400 -269.982 -222.214 -71.9959 -222.215 -237.045 -7.68786 -71.9961 -7.68762 451.989 GPRESSURE: 3933400 -227.969 -158.362 -117.864 -188.735 -103.446 -123.159 -82.3453 0.411963 345.383 PRESSAVG: 3933400 -12.9016 -52.1082 39.2444 -52.1083 22.6168 -30.1924 39.2444 -30.1923 3.85661 GPRESSAVG: 3933400 -13.2932 -51.9726 39.1923 -49.7983 22.7587 -30.3139 42.8333 -30.236 4.03037 TIMING: 3933400 CPU: 12430.8, 0.00319975/step Wall: 12430.8, 0.00319975/step, 0.948014 hours remaining, 236.425781 MB of memory in use. ENERGY: 3933400 4015.0039 20481.2592 14423.5725 244.9429 -203930.3563 2965.6947 0.0000 0.0000 52203.2041 -109596.6790 300.0125 -161799.8831 -109227.9177 298.8492 -18.3462 4.6559 760720.0533 4.5239 4.4986 PRESSURE: 3933600 153.215 -33.8109 -53.3642 -33.8114 78.4368 -224.623 -53.3632 -224.622 -59.6932 GPRESSURE: 3933600 209.543 -30.3961 -66.0136 -57.1061 121.131 -220.596 46.2707 -190.8 -60.8712 PRESSAVG: 3933600 35.2226 -31.1298 41.4553 -31.1299 -17.7721 1.41672 41.4554 1.41677 2.10639 GPRESSAVG: 3933600 36.6079 -28.0316 42.0002 -34.3467 -18.1429 2.45946 38.1501 1.2413 1.91922 TIMING: 3933600 CPU: 12431.4, 0.00316685/step Wall: 12431.4, 0.00316685/step, 0.938091 hours remaining, 236.425781 MB of memory in use. ENERGY: 3933600 4031.6870 20512.4427 14405.5164 244.8833 -203754.8225 2778.9719 0.0000 0.0000 52115.5403 -109665.7809 299.5087 -161781.3212 -109304.2819 299.4902 57.3194 89.9341 760621.6750 6.5190 6.7947 PRESSURE: 3933800 66.5923 62.012 -125.098 62.0116 -120.242 105.722 -125.098 105.722 -27.7091 GPRESSURE: 3933800 67.3158 -40.0503 -126.76 109.269 -117.927 125.94 -125.975 -8.38736 59.9692 PRESSAVG: 3933800 -16.3546 -11.4281 -7.0306 -11.4281 24.691 10.5072 -7.03047 10.5072 12.8852 GPRESSAVG: 3933800 -16.0602 -14.4244 -7.43813 -9.47123 24.3833 11.0041 -7.77085 11.0557 13.0899 TIMING: 3933800 CPU: 12432, 0.00317674/step Wall: 12432, 0.00317674/step, 0.940845 hours remaining, 236.425781 MB of memory in use. ENERGY: 3933800 4006.0357 20495.1221 14543.0939 236.8425 -203562.4146 2683.1187 0.0000 0.0000 51728.4046 -109869.7970 297.2839 -161598.2016 -109515.3681 298.6931 -27.1197 3.1192 760618.5380 7.0738 7.1377 PRESSURE: 3934000 -190.515 184.635 139.701 184.635 -89.646 -102.84 139.701 -102.84 -312.515 GPRESSURE: 3934000 -181.825 212.607 139.14 60.99 -21.3425 -69.559 82.9747 42.6005 -304.681 PRESSAVG: 3934000 -18.1328 -21.3436 10.2617 -21.3436 15.3829 6.67121 10.2617 6.67118 4.06269 GPRESSAVG: 3934000 -18.5135 -19.0465 9.45372 -22.5344 16.0898 4.46054 13.1063 7.40674 3.31915 TIMING: 3934000 CPU: 12432.7, 0.00316613/step Wall: 12432.7, 0.00316613/step, 0.937526 hours remaining, 236.425781 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: 3934000 4105.2009 20458.1438 14462.1136 244.0675 -203443.2019 2387.5295 0.0000 0.0000 52038.4545 -109747.6921 299.0657 -161786.1466 -109386.7674 298.4296 -197.5587 -169.2827 760793.7533 0.4376 0.2985 PRESSURE: 3934200 116.788 -18.9091 -30.0029 -18.9096 -147.139 51.6781 -30.0028 51.6779 -244.212 GPRESSURE: 3934200 163.877 60.3848 -1.8855 -140.498 -149.126 51.5626 -57.3011 72.139 -226.207 PRESSAVG: 3934200 -33.9937 48.2799 -4.73569 48.2798 50.3847 -8.24889 -4.73574 -8.24888 23.7757 GPRESSAVG: 3934200 -35.1876 46.7639 -3.28198 48.7644 51.1239 -7.49101 -5.84781 -8.53175 23.7526 TIMING: 3934200 CPU: 12433.3, 0.00315755/step Wall: 12433.3, 0.00315755/step, 0.934811 hours remaining, 236.425781 MB of memory in use. ENERGY: 3934200 4006.4068 20587.0072 14426.6605 239.4886 -203342.6697 2163.5267 0.0000 0.0000 52131.3895 -109788.1904 299.5998 -161919.5799 -109426.4657 298.5975 -91.5209 -70.4852 759417.8933 13.3889 13.2296 PRESSURE: 3934400 -403.35 -54.7995 -55.0592 -54.7995 96.5105 -45.4424 -55.0593 -45.4432 -200.089 GPRESSURE: 3934400 -313.039 -83.6629 3.1957 -75.1123 55.6917 -83.1842 -136.404 16.3298 -130.393 PRESSAVG: 3934400 -25.5788 21.329 -5.27324 21.329 52.0151 -48.8755 -5.27327 -48.8756 -12.6161 GPRESSAVG: 3934400 -24.192 22.1263 -4.43233 20.2241 49.8763 -49.9922 -5.23308 -49.1205 -12.0814 TIMING: 3934400 CPU: 12433.9, 0.00319108/step Wall: 12433.9, 0.00319108/step, 0.944561 hours remaining, 236.425781 MB of memory in use. ENERGY: 3934400 3965.9523 20368.9249 14467.5461 252.4485 -202852.6865 2281.2676 0.0000 0.0000 51602.3209 -109914.2264 296.5592 -161516.5472 -109553.2009 298.3603 -168.9763 -129.2465 761895.5534 4.6068 4.5343 PRESSURE: 3934600 180.897 16.6988 96.2566 16.6982 -41.1583 106.842 96.2551 106.843 -300.468 GPRESSURE: 3934600 194.406 53.528 66.5755 -21.8953 30.0365 173.005 113.622 72.6124 -318.031 PRESSAVG: 3934600 -18.8966 -8.23515 5.60294 -8.23508 -0.488557 -5.2345 5.60289 -5.23455 -0.88437 GPRESSAVG: 3934600 -19.9809 -6.81994 2.81637 -8.07199 0.795316 -4.39136 8.96864 -5.34283 -0.685021 TIMING: 3934600 CPU: 12434.6, 0.00315737/step Wall: 12434.6, 0.00315737/step, 0.934407 hours remaining, 236.425781 MB of memory in use. ENERGY: 3934600 4000.4595 20383.9960 14471.7303 236.6882 -203575.2975 2582.2097 0.0000 0.0000 52206.7854 -109693.4285 300.0331 -161900.2139 -109333.8960 299.0122 -53.5762 -31.1961 760245.3013 -6.7565 -6.6235 PRESSURE: 3934800 -18.3494 -51.7468 18.8535 -51.7474 -302.556 -66.3913 18.8542 -66.3912 229.573 GPRESSURE: 3934800 -13.4517 -78.6934 30.2716 -6.0973 -146.764 -100.038 68.8026 -39.3319 131.115 PRESSAVG: 3934800 3.75595 -36.4627 4.34024 -36.4628 -22.0181 8.866 4.34021 8.86605 3.65172 GPRESSAVG: 3934800 3.44809 -39.3325 6.19086 -33.9237 -20.9588 9.32333 1.50461 9.36106 3.01458 TIMING: 3934800 CPU: 12435.2, 0.00315762/step Wall: 12435.2, 0.00315762/step, 0.934304 hours remaining, 236.425781 MB of memory in use. ENERGY: 3934800 4002.9899 20371.1939 14451.4165 246.3743 -203319.7519 2546.5093 0.0000 0.0000 52018.3950 -109682.8730 298.9504 -161701.2680 -109321.4661 298.9447 -30.4441 -9.7002 761788.2085 -4.8701 -4.8321 PRESSURE: 3935000 -283.189 -292.813 -31.307 -292.813 130.727 -68.9589 -31.3066 -68.9586 -24.5858 GPRESSURE: 3935000 -228.491 -202.54 -11.1983 -325.891 179.533 -41.2821 5.88312 -144.563 -60.0334 PRESSAVG: 3935000 4.23011 -24.3192 42.0147 -24.3191 -44.7496 -19.7263 42.0147 -19.7262 -7.31041 GPRESSAVG: 3935000 4.5316 -24.4545 41.6239 -24.0547 -45.395 -19.6728 43.3924 -21.7611 -7.01158 TIMING: 3935000 CPU: 12435.8, 0.00315236/step Wall: 12435.8, 0.00315236/step, 0.932574 hours remaining, 236.425781 MB of memory in use. ENERGY: 3935000 4035.3419 20344.0939 14390.1205 245.3792 -203175.9148 2350.3498 0.0000 0.0000 52108.1953 -109702.4343 299.4665 -161810.6296 -109335.7653 298.8168 -59.0158 -36.3303 759127.9666 -15.9433 -15.9583 PRESSURE: 3935200 -166.818 -70.1891 212.323 -70.189 -210.684 73.4635 212.323 73.4631 83.2105 GPRESSURE: 3935200 -73.2315 -158.285 285.591 -16.368 -166.494 71.5153 94.2898 138.891 56.5815 PRESSAVG: 3935200 -11.7468 -44.4761 29.0246 -44.4761 -7.99964 -25.7013 29.0247 -25.7013 -18.4247 GPRESSAVG: 3935200 -10.732 -43.2459 27.9056 -46.976 -8.74333 -26.6393 27.0406 -24.1756 -18.559 TIMING: 3935200 CPU: 12436.4, 0.00314173/step Wall: 12436.4, 0.00314173/step, 0.929254 hours remaining, 236.425781 MB of memory in use. ENERGY: 3935200 4057.9030 20459.3865 14475.9666 254.4773 -203284.2363 2405.9563 0.0000 0.0000 52046.6328 -109583.9139 299.1127 -161630.5467 -109220.1872 298.8014 -98.0972 -61.0480 760364.9942 -12.7237 -12.6781 PRESSURE: 3935400 74.5249 -9.2007 -102.216 -9.20043 86.7227 -167.645 -102.216 -167.646 200.422 GPRESSURE: 3935400 40.0423 -0.499338 -67.1669 -4.53882 141.559 -228.295 -203.094 -148.858 267.047 PRESSAVG: 3935400 -31.4675 -19.3377 -12.1436 -19.3376 24.763 -53.5956 -12.1436 -53.5955 10.1339 GPRESSAVG: 3935400 -32.115 -19.3138 -10.3837 -18.6007 25.1207 -52.1565 -12.8559 -55.1214 10.3199 TIMING: 3935400 CPU: 12437.1, 0.00317197/step Wall: 12437.1, 0.00317197/step, 0.938023 hours remaining, 236.425781 MB of memory in use. ENERGY: 3935400 3947.8104 20502.7977 14525.1977 247.3223 -203716.6912 2831.4398 0.0000 0.0000 52064.2785 -109597.8448 299.2141 -161662.1233 -109228.1038 299.6053 120.5566 149.5496 761584.4460 1.1431 1.1085 PRESSURE: 3935600 -186.096 33.6635 -49.3991 33.6636 -225.703 -30.3796 -49.3982 -30.3795 -111.939 GPRESSURE: 3935600 -169.467 91.333 -146.94 49.079 -113.955 17.7198 36.5833 -22.7287 -181.059 PRESSAVG: 3935600 -0.261997 28.4107 -45.8632 28.4106 31.6914 -34.5219 -45.8632 -34.522 -17.3304 GPRESSAVG: 3935600 -1.08281 29.0212 -48.0699 26.9818 31.4948 -35.4734 -44.6955 -32.4182 -16.2982 TIMING: 3935600 CPU: 12437.7, 0.00315559/step Wall: 12437.7, 0.00315559/step, 0.933003 hours remaining, 236.425781 MB of memory in use. ENERGY: 3935600 4029.1000 20472.4194 14433.7869 240.4350 -203573.2147 2607.8117 0.0000 0.0000 52022.6338 -109767.0280 298.9748 -161789.6618 -109392.5840 299.2270 -174.5795 -154.8270 762545.3878 4.6997 4.7046 PRESSURE: 3935800 -37.4377 -197.462 -73.5448 -197.463 -63.9685 82.9001 -73.5453 82.8994 52.8583 GPRESSURE: 3935800 4.12416 -148.583 -106.307 -191.903 -58.194 120.107 -50.8673 24.9467 76.7527 PRESSAVG: 3935800 0.631284 -8.23242 -30.7084 -8.23234 9.13744 -10.7666 -30.7084 -10.7666 1.42815 GPRESSAVG: 3935800 0.878833 -7.8263 -30.4493 -7.22474 10.4966 -9.26703 -29.6206 -11.8121 -0.0700581 TIMING: 3935800 CPU: 12438.3, 0.00316576/step Wall: 12438.3, 0.00316576/step, 0.935833 hours remaining, 236.425781 MB of memory in use. ENERGY: 3935800 3908.6753 20428.7877 14454.9655 248.0413 -203130.6865 2356.9837 0.0000 0.0000 51648.1970 -110085.0358 296.8229 -161733.2328 -109731.0773 298.3416 -16.1827 7.5609 762597.4439 3.7323 3.7685 PRESSURE: 3936000 141.555 -159.688 -10.3512 -159.687 -133.966 65.8672 -10.3511 65.8674 -170.126 GPRESSURE: 3936000 84.2795 -144.894 -46.6186 -231.742 -133.378 130.664 -20.9901 78.1021 -13.5327 PRESSAVG: 3936000 -5.0533 -52.8955 -41.7366 -52.8956 27.4492 -38.2271 -41.7366 -38.2271 -21.0236 GPRESSAVG: 3936000 -6.11464 -53.645 -41.013 -52.125 26.7666 -40.6313 -41.5698 -36.4411 -19.7181 TIMING: 3936000 CPU: 12439, 0.00317002/step Wall: 12439, 0.00317002/step, 0.936918 hours remaining, 236.425781 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: 3936000 4009.7787 20526.5131 14500.3301 259.2989 -203194.4869 2499.2006 0.0000 0.0000 51457.5246 -109941.8410 295.7271 -161399.3656 -109601.6487 297.5973 -54.1789 -20.8770 761814.7716 0.4574 0.3113 PRESSURE: 3936200 135.151 -97.5113 16.4382 -97.5116 126.89 -23.4651 16.4385 -23.465 -236.382 GPRESSURE: 3936200 144.917 -33.8002 5.32123 -16.8824 157.731 -76.2228 81.8864 161.526 -205.614 PRESSAVG: 3936200 -7.4142 -52.2853 -11.4466 -52.2852 7.34038 25.0739 -11.4466 25.0737 -28.7469 GPRESSAVG: 3936200 -5.38864 -52.4359 -10.5589 -52.8429 8.07381 25.5598 -13.6804 24.3593 -31.5886 TIMING: 3936200 CPU: 12439.6, 0.00317244/step Wall: 12439.6, 0.00317244/step, 0.937455 hours remaining, 236.425781 MB of memory in use. ENERGY: 3936200 3988.3699 20499.7429 14503.0663 248.8591 -203189.7795 2391.2422 0.0000 0.0000 51879.1781 -109679.3209 298.1503 -161558.4990 -109327.3640 298.0509 8.5530 32.3445 762936.3655 -9.6069 -9.6345 LDB: ============= START OF LOAD BALANCING ============== 12452.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12452.1 LDB: =============== DONE WITH MIGRATION ================ 12452.1 LDB: ============= START OF LOAD BALANCING ============== 12452.5 LDB: Largest compute 7057 load 0.031710 is 16.2% of average load 0.195688 LDB: Average compute 0.004388 is 2.2% of average load 0.195688 LDB: TIME 12452.5 LOAD: AVG 0.195688 MAX 0.213288 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 12452.5 LOAD: AVG 0.195688 MAX 0.213288 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: TIME 12452.5 LOAD: AVG 0.195688 MAX 0.213288 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: ============== END OF LOAD BALANCING =============== 12452.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12452.5 PRESSURE: 3936400 -255.92 -121.19 -67.4951 -121.19 -78.2657 20.3588 -67.4949 20.3583 86.8557 GPRESSURE: 3936400 -233.696 -74.5192 -80.9112 -136.944 12.1696 39.4188 63.6717 -17.8917 73.7054 PRESSAVG: 3936400 -35.3083 -70.1971 -15.9089 -70.1971 -7.60596 -2.52959 -15.909 -2.52967 6.29616 GPRESSAVG: 3936400 -36.0241 -72.6048 -15.5148 -67.9723 -7.75087 -2.67318 -12.898 -1.92044 7.19975 TIMING: 3936400 CPU: 12440.3, 0.00324306/step Wall: 12440.3, 0.00324306/step, 0.958144 hours remaining, 237.882812 MB of memory in use. ENERGY: 3936400 3981.7255 20229.0874 14554.2151 264.3565 -202952.6626 2416.4161 0.0000 0.0000 51875.1016 -109631.7605 298.1269 -161506.8620 -109268.3624 298.3166 -82.4433 -49.2738 763529.1051 -12.2060 -12.1917 PRESSURE: 3936600 -287.349 260.332 49.8047 260.333 178.027 38.6179 49.8049 38.6174 414.6 GPRESSURE: 3936600 -210.825 196.768 17.9419 112.36 231.21 61.591 -101.579 -6.57619 393.802 PRESSAVG: 3936600 -40.8966 -56.2423 25.6231 -56.2423 87.96 19.6199 25.6231 19.62 7.63425 GPRESSAVG: 3936600 -40.3268 -53.2878 24.5832 -60.2503 88.2065 20.0002 23.5887 17.3062 7.17271 TIMING: 3936600 CPU: 12440.9, 0.00316898/step Wall: 12440.9, 0.00316898/step, 0.936083 hours remaining, 238.085938 MB of memory in use. ENERGY: 3936600 3990.8263 20569.3508 14494.9721 256.1449 -203139.6942 2522.1821 0.0000 0.0000 51962.1937 -109344.0242 298.6274 -161306.2180 -108975.2606 299.2392 101.7593 138.0624 761637.3991 18.2325 18.3508 PRESSURE: 3936800 -172.081 12.059 -93.9255 12.059 35.0557 21.5435 -93.9258 21.5434 -86.0556 GPRESSURE: 3936800 -172.632 47.0927 -216.256 -21.25 41.7344 45.9208 15.4769 -47.1348 -9.06924 PRESSAVG: 3936800 54.9663 -31.0002 2.09224 -31.0003 -30.5402 5.72297 2.09227 5.72286 -8.37455 GPRESSAVG: 3936800 54.0126 -30.9198 4.24638 -28.3384 -32.0013 4.09502 0.76009 9.30602 -6.4365 TIMING: 3936800 CPU: 12441.5, 0.00315358/step Wall: 12441.5, 0.00315358/step, 0.931356 hours remaining, 238.289062 MB of memory in use. ENERGY: 3936800 3970.1895 20508.5161 14512.8856 239.5042 -203249.0580 2393.7557 0.0000 0.0000 52201.7182 -109422.4887 300.0040 -161624.2069 -109058.5820 298.6792 -74.3602 -46.6555 761378.9872 5.3505 5.1916 PRESSURE: 3937000 -336.395 36.5676 85.9265 36.5681 381.517 -0.788948 85.9265 -0.788376 251.353 GPRESSURE: 3937000 -236.024 125.695 41.9371 9.79794 263.999 2.06732 -8.09559 153.796 347.19 PRESSAVG: 3937000 66.4137 -30.6041 28.7996 -30.6041 -4.48573 -27.0155 28.7996 -27.0155 1.01144 GPRESSAVG: 3937000 65.9847 -31.4575 28.6518 -30.416 -4.7141 -26.5052 30.0645 -29.7368 1.46575 TIMING: 3937000 CPU: 12442.2, 0.00316938/step Wall: 12442.2, 0.00316938/step, 0.935847 hours remaining, 238.289062 MB of memory in use. ENERGY: 3937000 4048.9914 20506.4285 14533.3879 248.5585 -203087.0628 2455.8134 0.0000 0.0000 51774.5247 -109519.3584 297.5489 -161293.8831 -109160.8643 299.2037 98.8250 125.0550 759895.9385 20.9798 20.9121 PRESSURE: 3937200 -201.585 -33.3963 -32.9151 -33.397 -271.231 414.499 -32.916 414.499 -780.431 GPRESSURE: 3937200 -156.318 75.9912 19.0995 -39.3498 -232.915 309.317 -67.8608 285.231 -786.952 PRESSAVG: 3937200 -7.41353 3.76947 9.77176 3.76952 4.53035 40.6544 9.77172 40.6545 -2.59257 GPRESSAVG: 3937200 -6.37901 4.11118 6.9641 3.80385 4.62944 40.5334 11.7559 41.1268 -3.56143 TIMING: 3937200 CPU: 12442.8, 0.00319023/step Wall: 12442.8, 0.00319023/step, 0.941826 hours remaining, 238.289062 MB of memory in use. ENERGY: 3937200 4052.9604 20548.3429 14420.5555 247.2423 -203152.1820 2410.3913 0.0000 0.0000 52036.0657 -109436.6240 299.0520 -161472.6896 -109075.0297 299.5900 -417.7491 -392.0616 760430.5916 -1.8253 -1.7703 PRESSURE: 3937400 147.653 117.995 -215.805 117.995 170.11 75.3321 -215.805 75.3333 99.1567 GPRESSURE: 3937400 156.852 76.0411 -205.524 10.1829 226.461 80.2717 -143.938 57.2008 106.877 PRESSAVG: 3937400 -27.7245 -31.7944 11.8679 -31.7944 14.0681 6.03208 11.8679 6.0321 -4.15959 GPRESSAVG: 3937400 -26.4266 -31.3104 14.727 -32.4247 14.3748 4.81695 11.3185 6.53196 -5.61468 TIMING: 3937400 CPU: 12443.4, 0.00316659/step Wall: 12443.4, 0.00316659/step, 0.93467 hours remaining, 238.300781 MB of memory in use. ENERGY: 3937400 4025.2284 20560.3291 14418.0358 249.0482 -203053.8216 2505.9084 0.0000 0.0000 51889.2075 -109406.0641 298.2080 -161295.2716 -109046.4268 299.3837 138.9735 163.3965 760097.5766 -5.9387 -5.8888 PRESSURE: 3937600 -131.367 9.83104 76.3419 9.83058 -245.538 -124.444 76.342 -124.444 -45.4437 GPRESSURE: 3937600 -133.562 -12.9864 43.1988 -11.181 -154.608 -142.627 59.7087 -77.7982 -66.4693 PRESSAVG: 3937600 -77.1519 -8.62011 -9.18185 -8.62012 105.346 -30.0235 -9.18188 -30.0236 29.0195 GPRESSAVG: 3937600 -78.1634 -11.3773 -11.8893 -7.56924 105.471 -27.1867 -10.9056 -31.0784 30.1683 TIMING: 3937600 CPU: 12444.1, 0.00317772/step Wall: 12444.1, 0.00317772/step, 0.937781 hours remaining, 238.300781 MB of memory in use. ENERGY: 3937600 3948.6191 20599.1651 14529.7871 247.8219 -203171.2796 2397.6367 0.0000 0.0000 52046.8608 -109401.3890 299.1140 -161448.2497 -109043.3928 299.3064 -140.7828 -118.2129 760066.0964 19.0713 19.1587 PRESSURE: 3937800 -62.6913 -213.558 -161.098 -213.558 5.33978 54.729 -161.098 54.7298 642.274 GPRESSURE: 3937800 14.4333 -60.8135 -205.457 -97.7568 32.972 33.0285 -101.797 -57.8371 610.35 PRESSAVG: 3937800 -22.797 -7.17622 -16.3477 -7.17628 38.0954 -19.5751 -16.3478 -19.5751 -7.70905 GPRESSAVG: 3937800 -23.0111 -4.78368 -15.3638 -6.43299 38.0838 -20.2333 -15.7894 -18.5651 -7.4579 TIMING: 3937800 CPU: 12444.7, 0.00315619/step Wall: 12444.7, 0.00315619/step, 0.931252 hours remaining, 238.300781 MB of memory in use. ENERGY: 3937800 4003.6743 20421.3585 14561.9209 253.8301 -203280.9268 2591.7859 0.0000 0.0000 51955.8079 -109492.5493 298.5907 -161448.3572 -109139.7671 299.2409 194.9743 219.2518 759873.1307 2.5298 2.5383 PRESSURE: 3938000 183.929 142.087 339.383 142.087 323.93 88.3328 339.384 88.3325 249.532 GPRESSURE: 3938000 197.605 113.334 356.387 157.167 384.974 -5.48984 214.258 48.406 288.076 PRESSAVG: 3938000 -11.7685 -74.6363 30.8073 -74.6363 83.9071 -19.7652 30.8073 -19.7652 -6.64936 GPRESSAVG: 3938000 -12.0489 -74.7577 30.3462 -76.2612 84.3352 -19.7744 30.8388 -20.6427 -7.00667 TIMING: 3938000 CPU: 12445.3, 0.00315727/step Wall: 12445.3, 0.00315727/step, 0.931396 hours remaining, 238.300781 MB of memory 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 3913.7093 20416.7928 14467.0540 246.4367 -202981.1358 2500.3908 0.0000 0.0000 51921.6134 -109515.1388 298.3942 -161436.7522 -109146.6860 298.8448 252.4636 290.2184 761332.3071 21.8297 21.7599 PRESSURE: 3938200 -281.853 182.601 -120.32 182.601 -309.207 91.1854 -120.32 91.1871 135.355 GPRESSURE: 3938200 -217.621 106.817 -203.981 179.944 -261.68 66.9345 -51.2265 -70.3776 121.725 PRESSAVG: 3938200 21.5626 -46.0976 -0.860683 -46.0976 -8.96014 1.48023 -0.860697 1.48016 13.6587 GPRESSAVG: 3938200 23.0489 -47.8013 0.207478 -47.0864 -10.4532 0.108897 -2.61022 0.836211 13.4677 TIMING: 3938200 CPU: 12446, 0.00315961/step Wall: 12446, 0.00315961/step, 0.93191 hours remaining, 238.300781 MB of memory in use. ENERGY: 3938200 4007.0539 20486.4541 14484.6255 253.3213 -203029.9333 2203.9356 0.0000 0.0000 51949.7070 -109644.8359 298.5557 -161594.5429 -109288.2196 298.7161 -151.9018 -119.1919 762828.9444 8.7537 8.6878 PRESSURE: 3938400 -122.515 135.71 59.3966 135.71 -56.9447 -283.315 59.3961 -283.314 449.319 GPRESSURE: 3938400 -124.251 117.913 -23.843 130.281 -21.4343 -249.408 53.4423 -284.415 486.545 PRESSAVG: 3938400 1.16204 -21.8733 -22.2068 -21.8733 12.0273 10.6593 -22.2068 10.6592 2.12981 GPRESSAVG: 3938400 0.525657 -19.7717 -24.8035 -20.7894 12.5366 11.3157 -19.2946 11.5828 2.41051 TIMING: 3938400 CPU: 12446.6, 0.00318041/step Wall: 12446.6, 0.00318041/step, 0.937868 hours remaining, 238.300781 MB of memory in use. ENERGY: 3938400 3964.5850 20401.2178 14562.8473 236.5178 -203713.0338 2633.7897 0.0000 0.0000 52157.1488 -109756.9275 299.7479 -161914.0763 -109389.0652 298.8728 89.9533 113.6199 760511.6226 5.1064 5.1576 PRESSURE: 3938600 -298.961 -70.641 68.3125 -70.6416 -109.478 -25.1288 68.3131 -25.1283 -522.132 GPRESSURE: 3938600 -318.997 24.3545 119.784 -94.0856 -141.917 21.5395 93.6475 -63.153 -387.84 PRESSAVG: 3938600 -41.1144 -48.0643 -4.20877 -48.0642 27.8552 -44.6525 -4.20873 -44.6525 22.5599 GPRESSAVG: 3938600 -41.7849 -48.6403 -3.54284 -47.5991 27.0622 -45.9949 -5.61915 -46.133 23.7011 TIMING: 3938600 CPU: 12447.2, 0.00316658/step Wall: 12447.2, 0.00316658/step, 0.933614 hours remaining, 238.300781 MB of memory in use. ENERGY: 3938600 3946.5016 20399.4545 14451.6650 247.0090 -203142.5197 2307.6931 0.0000 0.0000 52134.9715 -109655.2249 299.6204 -161790.1964 -109295.2434 298.7855 -310.1900 -282.9180 762821.1116 3.1002 2.9928 PRESSURE: 3938800 -396.221 -43.067 38.0414 -43.0661 182.832 -10.7975 38.0415 -10.7966 161.319 GPRESSURE: 3938800 -289.154 -108.604 94.371 -5.25265 167.072 44.3295 80.2802 -175.884 163.557 PRESSAVG: 3938800 -17.4895 -45.5162 -1.90579 -45.5162 34.3849 16.9957 -1.90583 16.9957 5.79413 GPRESSAVG: 3938800 -16.8476 -44.9732 -1.32815 -44.0536 36.6739 17.7542 -1.10209 18.4938 2.8988 TIMING: 3938800 CPU: 12447.9, 0.00316679/step Wall: 12447.9, 0.00316679/step, 0.9335 hours remaining, 238.300781 MB of memory in use. ENERGY: 3938800 4028.0102 20376.0856 14491.7604 233.3726 -202704.1865 2325.2222 0.0000 0.0000 51634.2881 -109615.4473 296.7430 -161249.7354 -109255.6143 298.0208 -17.3566 13.8249 764169.8552 7.5632 7.5750 PRESSURE: 3939000 20.4277 189.539 -32.5082 189.538 -23.2678 33.7496 -32.508 33.7501 167.837 GPRESSURE: 3939000 100.853 189.875 -26.1697 152.838 -50.593 11.5692 -129.373 4.22485 198.704 PRESSAVG: 3939000 -3.76939 -93.1579 -7.89736 -93.1579 5.01709 -17.6885 -7.89734 -17.6884 -12.9516 GPRESSAVG: 3939000 -3.12251 -95.0582 -8.48792 -93.8783 3.14164 -16.2768 -7.69446 -19.416 -12.4877 TIMING: 3939000 CPU: 12448.5, 0.0031902/step Wall: 12448.5, 0.0031902/step, 0.940223 hours remaining, 238.300781 MB of memory in use. ENERGY: 3939000 3982.7195 20437.4979 14474.4739 246.5195 -203312.7497 2710.4815 0.0000 0.0000 51908.1189 -109552.9385 298.3167 -161461.0574 -109198.5479 298.0570 54.9989 82.9879 763383.0015 -3.9013 -4.1562 PRESSURE: 3939200 84.2663 -140.524 -62.86 -140.524 -62.7694 152.875 -62.8602 152.874 614.79 GPRESSURE: 3939200 49.5997 13.3821 -96.2944 -169.286 57.6763 209.164 -168.425 170.601 613.913 PRESSAVG: 3939200 51.6319 6.38153 -1.68239 6.38156 -38.1538 11.2513 -1.68239 11.2514 19.0126 GPRESSAVG: 3939200 49.9686 8.09482 -0.280072 4.80115 -36.6145 10.9297 -3.74127 8.89057 19.354 TIMING: 3939200 CPU: 12449.1, 0.00316497/step Wall: 12449.1, 0.00316497/step, 0.932612 hours remaining, 238.300781 MB of memory in use. ENERGY: 3939200 3984.1587 20536.6276 14419.4311 238.2569 -203213.6161 2853.9090 0.0000 0.0000 51748.1753 -109433.0574 297.3975 -161181.2327 -109079.3269 298.5374 212.0956 240.3962 762285.2691 10.8302 10.9027 PRESSURE: 3939400 -249.47 -22.3841 184.379 -22.3843 -394.752 -55.8149 184.378 -55.815 12.5119 GPRESSURE: 3939400 -288.95 -9.59007 148.694 -123.004 -327.792 -44.9223 276.441 -29.0296 59.2212 PRESSAVG: 3939400 4.51268 -46.5029 68.7511 -46.5029 4.74204 5.5308 68.7511 5.5308 -9.00381 GPRESSAVG: 3939400 5.54843 -47.4078 67.6023 -46.3524 3.6158 5.97929 70.6903 7.41377 -8.72647 TIMING: 3939400 CPU: 12449.8, 0.00316284/step Wall: 12449.8, 0.00316284/step, 0.931808 hours remaining, 238.300781 MB of memory in use. ENERGY: 3939400 3927.4013 20606.7502 14430.5911 244.3152 -202744.4571 2284.8408 0.0000 0.0000 51929.1393 -109321.4192 298.4375 -161250.5585 -108962.3469 299.1930 -210.5702 -185.8402 762177.1594 0.0836 0.1459 PRESSURE: 3939600 83.2084 229.525 -76.2582 229.524 242.735 -30.3974 -76.2574 -30.3973 234.633 GPRESSURE: 3939600 82.2282 221.215 -18.2829 120.734 280.549 -202.577 -123.628 -75.3844 272.806 PRESSAVG: 3939600 -7.10634 -1.70643 17.2288 -1.70646 -24.905 -8.3534 17.2287 -8.35341 -18.1813 GPRESSAVG: 3939600 -7.74167 -0.350691 17.5442 -1.05789 -24.0822 -10.3003 15.911 -5.73132 -18.8818 TIMING: 3939600 CPU: 12450.4, 0.00315045/step Wall: 12450.4, 0.00315045/step, 0.927982 hours remaining, 238.300781 MB of memory in use. ENERGY: 3939600 4025.6091 20379.7165 14467.9667 255.5231 -203239.1870 2561.8072 0.0000 0.0000 52414.7284 -109133.8362 301.2282 -161548.5645 -108766.1834 298.8503 186.8587 211.8612 759715.5780 -16.7309 -16.9019 PRESSURE: 3939800 84.3489 -212.31 -59.4676 -212.31 138.34 115.382 -59.4668 115.381 50.72 GPRESSURE: 3939800 91.8488 -182.317 -75.7177 -328.321 139.433 74.8677 0.918109 158.34 122.403 PRESSAVG: 3939800 -26.4937 -31.8475 -24.6253 -31.8475 11.4793 12.6457 -24.6252 12.6458 6.65602 GPRESSAVG: 3939800 -27.2971 -33.6585 -23.3971 -32.6758 12.1757 14.5082 -26.4713 10.9012 7.08589 TIMING: 3939800 CPU: 12451, 0.00317379/step Wall: 12451, 0.00317379/step, 0.934682 hours remaining, 238.300781 MB of memory in use. ENERGY: 3939800 3987.3111 20591.0431 14405.8802 254.7702 -203201.6447 2706.4833 0.0000 0.0000 52223.4860 -109032.6706 300.1291 -161256.1566 -108680.5163 299.5030 91.1363 117.8949 761449.4201 -2.7861 -2.6785 PRESSURE: 3940000 -315.749 -7.59185 -47.7939 -7.59223 -103.834 117.521 -47.7945 117.52 -191.526 GPRESSURE: 3940000 -235.994 -32.6354 -40.2232 193.994 -59.1898 120.758 -67.0511 97.9416 -238.233 PRESSAVG: 3940000 -22.3029 -40.7218 -13.1065 -40.7217 38.4561 45.8884 -13.1065 45.8884 8.82465 GPRESSAVG: 3940000 -22.7837 -38.8614 -13.2567 -40.0235 39.1175 45.8068 -9.21245 46.6509 8.31202 TIMING: 3940000 CPU: 12451.7, 0.00317423/step Wall: 12451.7, 0.00317423/step, 0.934634 hours remaining, 238.300781 MB of memory 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 4024.4164 20382.3239 14522.6929 235.7331 -202852.7383 2398.2956 0.0000 0.0000 52127.7064 -109161.5698 299.5786 -161289.2762 -108794.1474 299.6332 -203.7031 -177.8054 764198.9070 8.3260 8.2153 PRESSURE: 3940200 -271.856 156.169 194.29 156.17 3.00319 334.092 194.29 334.092 -86.4232 GPRESSURE: 3940200 -234.749 64.4592 225.208 88.2313 127.305 297.771 160.306 262.056 -158.752 PRESSAVG: 3940200 -48.2909 -2.17141 18.5767 -2.17147 28.0553 3.42386 18.5767 3.4238 -0.0658246 GPRESSAVG: 3940200 -46.3599 -2.40543 16.9278 -4.52907 25.9114 3.16681 18.5239 2.32806 0.703565 TIMING: 3940200 CPU: 12452.3, 0.00318559/step Wall: 12452.3, 0.00318559/step, 0.937802 hours remaining, 238.300781 MB of memory in use. ENERGY: 3940200 4094.6032 20518.6916 14460.6336 236.6445 -203281.0360 2642.9731 0.0000 0.0000 52189.5287 -109137.9612 299.9339 -161327.4900 -108783.1768 299.7744 -118.4253 -88.7319 763162.8550 -6.7671 -6.5817 LDB: ============= START OF LOAD BALANCING ============== 12464.8 LDB: ============== END OF LOAD BALANCING =============== 12464.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12464.8 LDB: ============= START OF LOAD BALANCING ============== 12465.2 LDB: Largest compute 7031 load 0.031829 is 16.3% of average load 0.195527 LDB: Average compute 0.004394 is 2.2% of average load 0.195527 LDB: TIME 12465.2 LOAD: AVG 0.195527 MAX 0.214189 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.77 MB LDB: TIME 12465.2 LOAD: AVG 0.195527 MAX 0.214189 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.973 MB LDB: TIME 12465.2 LOAD: AVG 0.195527 MAX 0.214189 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.973 MB LDB: ============== END OF LOAD BALANCING =============== 12465.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12465.2 PRESSURE: 3940400 484.971 -133.596 3.74588 -133.596 -35.7457 -264.141 3.74601 -264.14 -115.973 GPRESSURE: 3940400 458.79 -54.0327 -20.6963 35.7421 45.8454 -260.855 104.009 -253.305 -93.9719 PRESSAVG: 3940400 7.43928 -70.563 3.23482 -70.563 32.4449 7.77504 3.23478 7.77505 -6.55983 GPRESSAVG: 3940400 5.55997 -70.792 2.76847 -68.7868 32.3266 7.08588 2.49389 8.85998 -5.40443 TIMING: 3940400 CPU: 12453, 0.00324007/step Wall: 12453, 0.00324007/step, 0.953661 hours remaining, 235.570312 MB of memory in use. ENERGY: 3940400 4060.8433 20506.1469 14551.8760 243.1109 -203205.1990 2464.2877 0.0000 0.0000 52246.8168 -109132.1174 300.2632 -161378.9342 -108769.0663 299.8711 111.0842 136.8879 760186.1696 11.1081 10.8274 PRESSURE: 3940600 -246.215 -127.981 -18.9537 -127.982 -154.897 -233.917 -18.9537 -233.917 -257.435 GPRESSURE: 3940600 -196.448 34.6637 -70.8674 -143.802 -153.356 -271.176 150.197 -199.428 -220.172 PRESSAVG: 3940600 -8.39679 -93.9506 7.94841 -93.9505 -19.5093 -49.7431 7.94832 -49.7431 -28.4268 GPRESSAVG: 3940600 -7.59974 -92.9545 8.08107 -95.4871 -18.5771 -49.5342 5.66324 -50.8783 -30.7417 TIMING: 3940600 CPU: 12453.6, 0.00316741/step Wall: 12453.6, 0.00316741/step, 0.932097 hours remaining, 235.570312 MB of memory in use. ENERGY: 3940600 4011.3461 20671.7546 14462.1827 269.5574 -202696.9704 1966.9767 0.0000 0.0000 52050.1919 -109264.9611 299.1332 -161315.1530 -108909.5301 300.2164 -219.5158 -189.9921 761058.8636 -18.7776 -18.9728 PRESSURE: 3940800 36.5518 14.6821 56.8107 14.6817 512.345 -3.43419 56.8106 -3.43336 278.164 GPRESSURE: 3940800 -9.94088 45.3844 100.324 1.12245 620.777 3.90566 -16.6722 -43.9726 296.609 PRESSAVG: 3940800 -22.7338 -60.7511 34.2214 -60.7512 28.274 -2.24957 34.2215 -2.24952 -9.02954 GPRESSAVG: 3940800 -22.6246 -61.9097 35.5948 -57.9819 26.9679 -1.62521 36.4296 -1.8823 -7.54858 TIMING: 3940800 CPU: 12454.2, 0.00315959/step Wall: 12454.2, 0.00315959/step, 0.929622 hours remaining, 235.570312 MB of memory in use. ENERGY: 3940800 3999.2882 20546.1162 14582.4574 250.5836 -203394.4580 2484.3272 0.0000 0.0000 52146.3411 -109385.3442 299.6857 -161531.6854 -109027.7088 299.4978 275.6871 302.4818 760724.8063 -1.1631 -1.0684 PRESSURE: 3941000 418.881 -78.4212 40.7871 -78.4213 -171.479 29.9271 40.7858 29.9268 -304.255 GPRESSURE: 3941000 482.427 15.3547 59.8363 -88.9961 -182.72 39.9465 19.7824 -52.0886 -290.694 PRESSAVG: 3941000 -51.3413 -18.8408 -5.80687 -18.8408 25.9722 -34.4895 -5.80687 -34.4895 3.65977 GPRESSAVG: 3941000 -51.3825 -17.7106 -6.08901 -21.08 25.9472 -35.1637 -6.73303 -34.3189 3.98613 TIMING: 3941000 CPU: 12454.8, 0.00315696/step Wall: 12454.8, 0.00315696/step, 0.928673 hours remaining, 235.570312 MB of memory in use. ENERGY: 3941000 4022.2942 20643.5076 14500.5046 229.0291 -203105.9195 2361.7623 0.0000 0.0000 52004.1522 -109344.6694 298.8686 -161348.8216 -108993.0109 299.2705 -18.9510 3.0044 761573.2601 -7.2364 -7.1497 PRESSURE: 3941200 -203.585 -176.203 -28.2126 -176.203 -101.986 -63.5275 -28.2119 -63.5284 -70.9177 GPRESSURE: 3941200 -132.476 -189.129 -14.8997 -60.3276 -98.7542 -70.9976 26.7556 -133.978 -58.93 PRESSAVG: 3941200 -4.92333 -61.1158 6.77535 -61.1159 -18.6453 -2.72039 6.77533 -2.72037 -9.80721 GPRESSAVG: 3941200 -3.93898 -63.1874 6.26808 -57.9705 -19.0156 -1.34472 7.2917 -3.84452 -10.4867 TIMING: 3941200 CPU: 12455.5, 0.00317731/step Wall: 12455.5, 0.00317732/step, 0.934484 hours remaining, 235.570312 MB of memory in use. ENERGY: 3941200 4076.0307 20558.5891 14433.0946 237.2974 -203294.9640 2438.8279 0.0000 0.0000 52230.9744 -109320.1500 300.1721 -161551.1244 -108959.4483 299.4155 -125.4962 -96.7202 761086.9695 -11.1253 -11.1471 PRESSURE: 3941400 -351.815 91.6245 -460.689 91.6239 -195.665 -125.037 -460.688 -125.037 -294.888 GPRESSURE: 3941400 -309.42 -42.2629 -390.273 89.8798 -80.52 -37.3883 -451.046 -126.515 -356.886 PRESSAVG: 3941400 -35.4105 17.2612 23.813 17.2612 85.712 -10.1809 23.8129 -10.181 -14.5592 GPRESSAVG: 3941400 -37.1904 17.4272 21.9326 16.1666 86.9002 -10.8691 24.6099 -7.72276 -13.8798 TIMING: 3941400 CPU: 12456.1, 0.00317842/step Wall: 12456.1, 0.00317842/step, 0.934633 hours remaining, 235.570312 MB of memory in use. ENERGY: 3941400 4059.1336 20589.1808 14431.8688 249.1447 -202924.5660 2204.0642 0.0000 0.0000 52235.9902 -109155.1837 300.2010 -161391.1739 -108786.4066 299.8215 -280.7893 -248.9419 762859.6753 11.9141 11.9433 PRESSURE: 3941600 106.18 -339.991 31.3959 -339.992 360.118 -168.173 31.3952 -168.173 -202.831 GPRESSURE: 3941600 23.0643 -254.303 10.0587 -239.149 518.268 -131.65 43.3413 -77.7495 -173.074 PRESSAVG: 3941600 -22.5014 -46.3926 -32.9805 -46.3927 12.4633 16.4919 -32.9806 16.4919 20.2858 GPRESSAVG: 3941600 -21.1837 -46.1024 -30.6381 -45.8768 12.5591 16.9068 -35.4415 15.7781 19.2272 TIMING: 3941600 CPU: 12456.8, 0.00316967/step Wall: 12456.8, 0.00316967/step, 0.931883 hours remaining, 235.570312 MB of memory in use. ENERGY: 3941600 4036.9068 20464.3240 14459.9256 245.1217 -203470.6932 2842.5571 0.0000 0.0000 52140.8810 -109280.9770 299.6544 -161421.8580 -108919.1190 299.5587 87.8221 122.7527 761584.0373 3.4159 3.5342 PRESSURE: 3941800 166.662 -364.93 148.704 -364.929 160.576 24.0018 148.703 24.0024 -118.767 GPRESSURE: 3941800 215.732 -360.734 65.9649 -268.917 126.503 -8.66497 322.072 28.1637 -25.1271 PRESSAVG: 3941800 26.5573 -70.3977 -8.51197 -70.3976 14.4247 0.463939 -8.51197 0.463901 11.5346 GPRESSAVG: 3941800 25.2478 -68.204 -7.82174 -70.9116 15.0937 0.364186 -8.65352 1.53013 12.0553 TIMING: 3941800 CPU: 12457.4, 0.00317917/step Wall: 12457.4, 0.00317917/step, 0.9345 hours remaining, 235.570312 MB of memory in use. ENERGY: 3941800 4005.5856 20486.1494 14484.9785 238.2360 -203118.4569 2587.0925 0.0000 0.0000 52259.5891 -109056.8257 300.3366 -161316.4148 -108691.5291 299.5413 69.4902 105.7025 762783.0485 17.5055 17.4656 PRESSURE: 3942000 38.9824 64.5659 -76.8251 64.566 89.4178 50.7812 -76.8244 50.7809 85.9385 GPRESSURE: 3942000 86.1907 114.756 -2.33538 -9.89059 112.387 -38.1835 -76.295 31.7894 99.0755 PRESSAVG: 3942000 23.0267 -95.1097 -12.1944 -95.1098 -2.74874 58.5763 -12.1944 58.5763 -10.5147 GPRESSAVG: 3942000 23.9368 -95.3846 -14.213 -94.4967 -3.04542 57.909 -10.5223 56.9202 -11.4475 TIMING: 3942000 CPU: 12458, 0.0031632/step Wall: 12458, 0.0031632/step, 0.929631 hours remaining, 235.570312 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: 3942000 4032.5825 20403.6680 14483.8168 249.9412 -203158.0061 2640.6560 0.0000 0.0000 52383.5657 -108963.7759 301.0491 -161347.3416 -108598.2244 299.9656 71.4463 99.2177 761753.2550 3.2544 3.1480 PRESSURE: 3942200 115.457 -53.3759 -314.332 -53.3758 -216.705 6.38242 -314.332 6.38246 327.744 GPRESSURE: 3942200 190.288 16.7646 -218.62 -23.3451 -202.894 32.7899 -255.659 66.8335 308.994 PRESSAVG: 3942200 -6.68493 11.9042 -32.2328 11.9042 6.76606 -1.71236 -32.2328 -1.71233 0.998553 GPRESSAVG: 3942200 -5.56432 11.1727 -30.3937 9.56488 4.962 -1.90281 -32.2122 -3.89504 1.72854 TIMING: 3942200 CPU: 12458.7, 0.00318024/step Wall: 12458.7, 0.00318024/step, 0.934461 hours remaining, 235.570312 MB of memory in use. ENERGY: 3942200 3899.0472 20702.7085 14480.7835 255.7961 -202716.6887 2322.6309 0.0000 0.0000 52134.1240 -108921.5983 299.6155 -161055.7224 -108550.8018 299.9442 75.4986 98.7960 762996.5279 0.3599 0.3754 PRESSURE: 3942400 46.4975 -71.411 135.475 -71.4111 -99.7153 -182.918 135.475 -182.92 208.154 GPRESSURE: 3942400 122.608 -109.008 76.0141 -143.686 -96.6218 -140.154 128.997 -266.996 238.67 PRESSAVG: 3942400 12.6001 -49.2184 -83.4003 -49.2184 -4.55239 -45.901 -83.4003 -45.9011 -1.43395 GPRESSAVG: 3942400 11.1525 -51.9102 -84.0822 -46.3938 -3.23664 -45.5432 -83.046 -44.4226 -1.06419 TIMING: 3942400 CPU: 12459.3, 0.00316264/step Wall: 12459.3, 0.00316264/step, 0.929114 hours remaining, 235.570312 MB of memory in use. ENERGY: 3942400 4031.7920 20606.8741 14514.2114 236.1347 -202991.0043 2574.0195 0.0000 0.0000 52107.4130 -108920.5597 299.4620 -161027.9727 -108563.5890 299.7877 51.6454 88.2188 763133.8310 2.2046 2.2839 PRESSURE: 3942600 301.921 -57.4892 -28.4215 -57.4896 -89.0807 -175.317 -28.4226 -175.317 446.994 GPRESSURE: 3942600 336.39 -119.833 -1.98374 -50.896 -73.4442 -235.005 -10.2354 -293.6 473.198 PRESSAVG: 3942600 -36.7588 5.60825 -22.8299 5.60826 27.7713 -3.69841 -22.8299 -3.69842 10.1992 GPRESSAVG: 3942600 -38.0685 6.28968 -22.5512 4.25096 28.6231 -3.32808 -22.2461 -4.97419 10.5832 TIMING: 3942600 CPU: 12459.9, 0.00316883/step Wall: 12459.9, 0.00316883/step, 0.930755 hours remaining, 235.570312 MB of memory in use. ENERGY: 3942600 3990.7871 20599.6273 14530.1999 252.9250 -203557.0108 2979.3721 0.0000 0.0000 52355.5367 -108848.5626 300.8880 -161204.0993 -108481.4223 300.4819 219.9448 245.3810 762322.1533 0.4039 0.3793 PRESSURE: 3942800 1.85882 -191.664 -63.3049 -191.664 -207.329 -107.581 -63.3059 -107.581 3.44894 GPRESSURE: 3942800 35.9165 -129.093 -96.0203 -119.668 -202.047 -53.7101 76.9071 -72.3703 39.6949 PRESSAVG: 3942800 -12.0401 -37.4715 -7.33459 -37.4716 8.03829 14.5609 -7.33462 14.5609 -5.27842 GPRESSAVG: 3942800 -10.5433 -36.9351 -7.53434 -36.7391 6.881 15.8735 -8.70431 17.201 -5.03946 TIMING: 3942800 CPU: 12460.6, 0.00316331/step Wall: 12460.6, 0.00316331/step, 0.92896 hours remaining, 235.570312 MB of memory in use. ENERGY: 3942800 3854.7953 20613.0477 14521.4764 236.7775 -203365.4094 2930.2461 0.0000 0.0000 52250.3429 -108958.7235 300.2834 -161209.0664 -108605.1428 300.3892 -67.3403 -42.1453 761956.9581 -3.0934 -2.9006 PRESSURE: 3943000 -99.4407 -242.541 69.8117 -242.541 91.3144 100.064 69.811 100.065 244.828 GPRESSURE: 3943000 -22.1935 -48.8874 21.3618 -109.438 88.4231 123.775 19.7627 -48.6691 241.839 PRESSAVG: 3943000 -8.29323 -50.9736 2.09685 -50.9737 15.1843 46.705 2.09683 46.705 30.4413 GPRESSAVG: 3943000 -6.99488 -49.2702 1.70565 -51.9977 15.2996 45.0784 4.29104 44.4037 29.5701 TIMING: 3943000 CPU: 12461.2, 0.0031618/step Wall: 12461.2, 0.0031618/step, 0.928341 hours remaining, 235.570312 MB of memory in use. ENERGY: 3943000 3944.0436 20587.9952 14421.6828 229.6759 -203138.0768 2693.9004 0.0000 0.0000 52319.9540 -108940.8248 300.6835 -161260.7789 -108580.6297 300.0863 78.9006 102.6895 761312.5773 12.4441 12.6250 PRESSURE: 3943200 -85.2031 -76.1071 57.6972 -76.107 3.97631 268.917 57.6972 268.917 26.1481 GPRESSURE: 3943200 -27.3625 -11.0369 14.5798 -125.096 88.0778 273.126 -18.6548 268.323 -29.9866 PRESSAVG: 3943200 -19.2619 -29.6194 -33.798 -29.6193 -15.8576 34.387 -33.7979 34.3871 -1.86043 GPRESSAVG: 3943200 -20.0587 -29.7036 -33.5417 -29.0134 -14.8092 33.8144 -34.8252 34.8249 -2.2505 TIMING: 3943200 CPU: 12461.8, 0.00316411/step Wall: 12461.8, 0.00316411/step, 0.928842 hours remaining, 235.570312 MB of memory in use. ENERGY: 3943200 3969.3454 20482.7687 14466.7682 279.9713 -202874.4807 2525.8719 0.0000 0.0000 52157.3543 -108992.4008 299.7490 -161149.7551 -108621.2023 299.5506 -18.3596 10.2429 762727.9810 -12.3266 -12.3728 PRESSURE: 3943400 -171.857 93.5844 99.7281 93.5843 70.1669 -71.842 99.7284 -71.8425 -213.377 GPRESSURE: 3943400 -156.453 88.3532 138.927 24.2128 47.9029 -32.3094 95.13 -141.527 -143.496 PRESSAVG: 3943400 8.69023 -46.4805 12.1454 -46.4806 -12.6516 37.1666 12.1454 37.1666 -9.12615 GPRESSAVG: 3943400 7.6436 -47.1026 11.522 -49.257 -13.1807 38.3407 11.4432 36.8284 -7.78628 TIMING: 3943400 CPU: 12462.5, 0.00314823/step Wall: 12462.5, 0.00314823/step, 0.924006 hours remaining, 235.570312 MB of memory in use. ENERGY: 3943400 3977.3739 20443.6973 14439.4173 254.2209 -203064.8760 2548.6506 0.0000 0.0000 52300.8030 -109100.7129 300.5734 -161401.5159 -108731.6193 300.0114 -105.0223 -84.0154 761418.8080 -4.3625 -4.4411 PRESSURE: 3943600 -58.0294 8.0579 -72.0024 8.05902 39.2272 36.6868 -72.0017 36.6868 8.66346 GPRESSURE: 3943600 -22.5733 -43.894 -76.9635 63.7886 100.665 94.126 -31.5565 36.9519 27.2365 PRESSAVG: 3943600 38.6783 1.59508 -3.85724 1.59508 18.0801 10.6514 -3.85727 10.6514 11.4965 GPRESSAVG: 3943600 39.0743 2.89023 -3.26304 5.59164 17.6038 9.84863 -3.75212 13.2736 11.6027 TIMING: 3943600 CPU: 12463.1, 0.00318685/step Wall: 12463.1, 0.00318685/step, 0.935163 hours remaining, 235.570312 MB of memory in use. ENERGY: 3943600 3975.7347 20431.4966 14517.3667 253.2445 -203076.3826 2459.0300 0.0000 0.0000 52346.1854 -109093.3247 300.8342 -161439.5101 -108732.3909 299.8028 -3.3796 35.1095 762023.2408 22.7516 22.7602 PRESSURE: 3943800 -17.364 71.0575 99.7893 71.0572 104.038 -12.073 99.7889 -12.0741 -119.303 GPRESSURE: 3943800 157.225 -96.2512 31.4825 55.4334 39.6583 11.0115 72.9317 -110.382 -159.023 PRESSAVG: 3943800 -20.4186 -65.9488 -32.8416 -65.9488 -24.4606 -41.2514 -32.8416 -41.2513 11.8552 GPRESSAVG: 3943800 -19.5 -68.455 -34.4709 -68.8726 -25.0974 -41.9507 -32.5894 -42.7762 11.3988 TIMING: 3943800 CPU: 12463.7, 0.0031832/step Wall: 12463.7, 0.0031832/step, 0.933917 hours remaining, 235.570312 MB of memory in use. ENERGY: 3943800 3946.8056 20566.7498 14465.2776 241.4676 -203102.8009 2408.2438 0.0000 0.0000 52330.0228 -109144.2337 300.7414 -161474.2565 -108778.2518 299.9621 -10.8762 12.6201 761743.9760 -11.0080 -11.0662 PRESSURE: 3944000 180.378 -150.43 -90.374 -150.431 -264.377 160.247 -90.3742 160.247 -122.119 GPRESSURE: 3944000 243.602 6.81691 -73.4534 -234.686 -267.426 180.608 -150.544 135.779 -118.077 PRESSAVG: 3944000 15.5478 -109.705 -10.8641 -109.705 24.0396 12.6169 -10.8641 12.6169 -0.674952 GPRESSAVG: 3944000 15.5072 -109.493 -10.3991 -105.753 22.444 11.4409 -11.0027 13.2156 0.27614 TIMING: 3944000 CPU: 12464.4, 0.00316757/step Wall: 12464.4, 0.00316757/step, 0.929155 hours remaining, 235.570312 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: 3944000 3935.5952 20547.1616 14418.4343 233.4365 -202947.0279 2377.1409 0.0000 0.0000 52337.0867 -109098.1727 300.7820 -161435.2593 -108730.1321 299.6966 -68.7061 -47.3003 762073.3706 12.9708 12.7424 PRESSURE: 3944200 222.999 -68.8907 -124.586 -68.8895 -18.2911 68.213 -124.585 68.2139 305.875 GPRESSURE: 3944200 216.69 -8.75754 -202.734 17.4444 35.5027 -0.957718 -175.606 172.311 346.686 PRESSAVG: 3944200 -5.51922 -27.9801 7.35953 -27.9801 -10.2635 28.7634 7.35949 28.7634 -16.4319 GPRESSAVG: 3944200 -5.72881 -26.9273 8.18722 -30.7438 -8.94726 31.8018 6.11842 27.9489 -18.0045 TIMING: 3944200 CPU: 12465, 0.00316437/step Wall: 12465, 0.00316437/step, 0.92804 hours remaining, 235.570312 MB of memory in use. ENERGY: 3944200 3979.9115 20623.9064 14468.2158 274.1732 -203563.7873 2923.1327 0.0000 0.0000 52231.6848 -109062.7629 300.1762 -161294.4477 -108691.9705 300.0119 170.1944 199.6262 761809.4760 -10.7382 -10.8935 LDB: ============= START OF LOAD BALANCING ============== 12477.5 LDB: ============== END OF LOAD BALANCING =============== 12477.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12477.5 LDB: ============= START OF LOAD BALANCING ============== 12477.8 LDB: Largest compute 7075 load 0.033242 is 17.0% of average load 0.195573 LDB: Average compute 0.004386 is 2.2% of average load 0.195573 LDB: TIME 12477.8 LOAD: AVG 0.195573 MAX 0.213401 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 12477.8 LOAD: AVG 0.195573 MAX 0.213401 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: TIME 12477.8 LOAD: AVG 0.195573 MAX 0.213401 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.465 MB LDB: ============== END OF LOAD BALANCING =============== 12477.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12477.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 3944400 25.868 -117.511 91.4 -117.511 -349.3 -43.6248 91.3999 -43.6248 234.067 GPRESSURE: 3944400 78.7999 -187.504 98.133 -106.801 -287.564 -51.807 118.203 -135.817 209.299 PRESSAVG: 3944400 45.4048 -8.29051 -72.7662 -8.29049 -31.3475 -2.04014 -72.7663 -2.04007 -6.80337 GPRESSAVG: 3944400 45.0225 -7.42456 -72.9015 -8.70166 -30.6767 -2.52596 -72.116 -2.13994 -7.09487 TIMING: 3944400 CPU: 12465.6, 0.00321258/step Wall: 12465.6, 0.00321258/step, 0.941999 hours remaining, 236.933594 MB of memory in use. ENERGY: 3944400 3952.0459 20486.3841 14504.5074 230.2210 -203053.5045 2593.9100 0.0000 0.0000 51907.0254 -109379.4106 298.3104 -161286.4360 -109012.8858 299.5952 -29.7883 0.1783 762709.8972 2.4180 2.4170 PRESSURE: 3944600 80.1392 -10.2344 389.276 -10.2337 -36.7254 -92.5815 389.276 -92.5821 -136.143 GPRESSURE: 3944600 125.975 -199.599 420.86 -75.1605 -74.5835 -70.6449 381.642 -247.754 -70.5172 PRESSAVG: 3944600 24.5261 -60.8755 13.8042 -60.8756 7.92401 18.9274 13.8042 18.9273 -16.1598 GPRESSAVG: 3944600 24.2521 -62.9645 14.7205 -59.5919 7.04666 17.9506 14.6802 19.5815 -15.4636 TIMING: 3944600 CPU: 12466.3, 0.00317961/step Wall: 12466.3, 0.00317961/step, 0.932156 hours remaining, 237.070312 MB of memory in use. ENERGY: 3944600 4020.0601 20537.8524 14469.1107 226.0798 -202846.8057 2286.2943 0.0000 0.0000 52007.0421 -109300.3662 298.8852 -161307.4084 -108949.1298 299.1803 -30.9099 -6.3752 763748.9619 5.4301 5.2784 PRESSURE: 3944800 -163.053 205.842 28.3755 205.842 128.786 18.6811 28.3755 18.6804 -137.863 GPRESSURE: 3944800 -113.751 166.953 51.4879 217.261 167.109 -104.086 -145.157 189.631 -128.829 PRESSAVG: 3944800 26.973 -22.3324 0.954344 -22.3324 2.81858 -5.76254 0.954417 -5.76253 22.2114 GPRESSAVG: 3944800 27.6585 -23.7798 2.41742 -22.5577 2.4039 -5.60645 -0.463272 -6.21999 21.5739 TIMING: 3944800 CPU: 12466.9, 0.0031561/step Wall: 12466.9, 0.0031561/step, 0.925089 hours remaining, 237.136719 MB of memory in use. ENERGY: 3944800 3980.2548 20420.7789 14375.0807 243.2615 -203374.8004 2683.8691 0.0000 0.0000 51892.1583 -109779.3971 298.2249 -161671.5554 -109419.1375 298.8477 -57.3768 -25.1571 760790.3722 17.3343 17.2121 PRESSURE: 3945000 -187.363 -140.274 110.925 -140.275 -26.9949 65.3453 110.924 65.3455 86.7811 GPRESSURE: 3945000 -102.051 -200.318 135.459 -236.742 -40.9887 57.1376 63.9034 118.686 117.701 PRESSAVG: 3945000 35.7065 -3.7076 -7.44513 -3.70754 -30.0737 -21.1499 -7.44514 -21.1499 9.99967 GPRESSAVG: 3945000 35.756 -0.637009 -9.33459 -4.03286 -29.393 -21.3462 -7.11848 -20.1449 9.27457 TIMING: 3945000 CPU: 12467.5, 0.00317778/step Wall: 12467.5, 0.00317778/step, 0.931267 hours remaining, 237.136719 MB of memory in use. ENERGY: 3945000 3911.1538 20427.8160 14501.8071 257.4926 -203563.6215 2607.4752 0.0000 0.0000 51968.4441 -109889.4327 298.6634 -161857.8768 -109531.9908 298.2874 -42.5257 -8.4463 759553.2467 5.2108 5.2125 PRESSURE: 3945200 -38.6571 101.678 27.5764 101.678 231.132 189.361 27.5769 189.362 -252.67 GPRESSURE: 3945200 -65.6533 74.5187 20.8452 68.4493 297.259 195.819 58.0657 96.3382 -227.193 PRESSAVG: 3945200 -1.8284 8.23954 0.394235 8.23955 -25.5757 -11.3085 0.394187 -11.3086 -4.11518 GPRESSAVG: 3945200 -2.00651 9.08211 2.82681 6.92392 -25.1966 -10.9481 2.94041 -12.7845 -4.33805 TIMING: 3945200 CPU: 12468.2, 0.00316402/step Wall: 12468.2, 0.00316402/step, 0.927058 hours remaining, 237.136719 MB of memory in use. ENERGY: 3945200 3973.3567 20486.2582 14514.9453 237.2586 -203435.4799 2744.2820 0.0000 0.0000 51877.7205 -109601.6586 298.1420 -161479.3791 -109238.7479 298.2013 -20.0648 1.4708 762321.4923 -10.5064 -10.5137 PRESSURE: 3945400 132.316 -75.6404 84.7239 -75.6398 338.648 -232.961 84.7236 -232.961 107.423 GPRESSURE: 3945400 233.672 -70.6661 174.688 -96.4429 275.769 -245.098 -6.91781 -247.634 146.139 PRESSAVG: 3945400 -54.1934 -27.4522 19.4635 -27.4523 50.7431 15.0678 19.4635 15.0679 -10.6259 GPRESSAVG: 3945400 -54.1777 -30.7409 18.2744 -26.4282 49.1105 14.8955 17.2428 15.7251 -8.65764 TIMING: 3945400 CPU: 12468.8, 0.00317517/step Wall: 12468.8, 0.00317517/step, 0.930149 hours remaining, 237.136719 MB of memory in use. ENERGY: 3945400 4001.1374 20513.8925 14443.9016 244.5231 -203360.3743 2816.1072 0.0000 0.0000 51776.5768 -109564.2357 297.5607 -161340.8125 -109197.3915 298.7179 192.7956 218.5265 761718.6199 -4.6921 -4.5750 PRESSURE: 3945600 -389.821 206.269 232.291 206.268 -230.099 -68.7953 232.29 -68.795 -67.1668 GPRESSURE: 3945600 -330.67 210.808 138.583 252.739 -157.012 -0.763188 120.746 -135.692 -130.35 PRESSAVG: 3945600 39.9886 -1.77877 32.5795 -1.77877 -33.4984 -18.2539 32.5795 -18.2539 11.5841 GPRESSAVG: 3945600 39.6624 1.46737 30.5151 -3.23307 -32.5295 -17.9683 33.009 -19.189 11.0204 TIMING: 3945600 CPU: 12469.4, 0.00316381/step Wall: 12469.4, 0.00316381/step, 0.926644 hours remaining, 237.136719 MB of memory in use. ENERGY: 3945600 4018.4419 20486.7602 14564.8038 234.4922 -203125.2295 2363.2520 0.0000 0.0000 52053.9961 -109403.4832 299.1550 -161457.4794 -109032.3595 299.5356 -229.0290 -206.0104 761485.5933 6.0248 6.0511 PRESSURE: 3945800 -92.99 -97.6458 68.4739 -97.6447 108.517 -53.2716 68.475 -53.2729 -144.036 GPRESSURE: 3945800 12.7995 -95.2821 14.9966 -89.6193 4.81478 51.1099 47.0685 31.9211 -76.0811 PRESSAVG: 3945800 -0.96402 4.41575 -29.6908 4.41574 41.2775 -58.6614 -29.6907 -58.6614 3.54337 GPRESSAVG: 3945800 -0.547613 0.637995 -29.3949 5.73171 40.6029 -58.8299 -29.0851 -57.9877 3.76457 TIMING: 3945800 CPU: 12470.1, 0.00317227/step Wall: 12470.1, 0.00317227/step, 0.928945 hours remaining, 237.136719 MB of memory in use. ENERGY: 3945800 4057.4203 20553.3411 14504.2339 229.9689 -203067.2144 2511.4034 0.0000 0.0000 51927.8498 -109282.9970 298.4301 -161210.8468 -108924.2382 299.0840 -42.8365 -19.4889 761150.7116 14.6190 14.6066 PRESSURE: 3946000 -321.093 -67.8145 66.979 -67.8149 -18.2923 94.447 66.98 94.4466 51.6003 GPRESSURE: 3946000 -283.703 -119.812 80.4244 -31.6379 35.6671 101.92 35.333 18.4978 34.7835 PRESSAVG: 3946000 47.0035 -74.698 -12.0619 -74.698 -22.233 0.283988 -12.0619 0.284001 -27.8899 GPRESSAVG: 3946000 47.0941 -72.1476 -10.0509 -75.2753 -21.1341 1.98221 -13.582 1.56614 -28.6404 TIMING: 3946000 CPU: 12470.7, 0.00317733/step Wall: 12470.7, 0.00317733/step, 0.930251 hours remaining, 237.136719 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: 3946000 4088.0399 20593.1726 14481.0460 230.4490 -203305.9625 2499.6770 0.0000 0.0000 52158.6980 -109254.8800 299.7568 -161413.5780 -108897.7759 299.5026 -95.9284 -71.0842 763071.5763 -1.0398 -0.8934 PRESSURE: 3946200 -536.47 225.085 94.9519 225.086 -288.895 -26.5436 94.9533 -26.5439 -232.762 GPRESSURE: 3946200 -450.212 208.981 50.3487 125.36 -247.901 -3.31439 46.5041 -64.4776 -289.005 PRESSAVG: 3946200 -4.35893 -36.7751 -33.446 -36.7751 2.75039 76.0421 -33.4459 76.0421 11.8836 GPRESSAVG: 3946200 -4.21502 -37.7073 -34.5238 -37.05 3.06822 77.1593 -32.5409 73.7239 11.4038 TIMING: 3946200 CPU: 12471.3, 0.00315084/step Wall: 12471.3, 0.00315084/step, 0.92232 hours remaining, 237.136719 MB of memory in use. ENERGY: 3946200 4008.2020 20477.4931 14466.2935 245.9634 -203162.4562 2475.1876 0.0000 0.0000 52299.1953 -109190.1213 300.5642 -161489.3167 -108830.6141 299.6998 -352.7090 -329.0394 761419.1193 3.4250 3.4190 PRESSURE: 3946400 -332.331 114.796 -198.729 114.795 -37.2641 199.012 -198.728 199.011 -162.191 GPRESSURE: 3946400 -275.613 180.385 -170.043 127.232 -5.86934 159.516 -201.257 202.456 -155.657 PRESSAVG: 3946400 -13.5338 -39.2315 10.1948 -39.2316 28.6614 107.22 10.1948 107.22 28.8972 GPRESSAVG: 3946400 -13.0719 -39.4762 10.4455 -39.1649 27.3685 105.916 8.26277 107.307 29.3698 TIMING: 3946400 CPU: 12472, 0.0031516/step Wall: 12472, 0.0031516/step, 0.922367 hours remaining, 237.136719 MB of memory in use. ENERGY: 3946400 3981.1533 20651.0881 14499.3576 240.9000 -202752.7355 2142.0914 0.0000 0.0000 51925.6456 -109312.4995 298.4174 -161238.1451 -108945.5409 299.4733 -177.2620 -145.7134 761646.7750 14.6749 14.5555 PRESSURE: 3946600 15.1367 -184.274 -40.2919 -184.274 107.128 -178.059 -40.2922 -178.061 586.182 GPRESSURE: 3946600 -52.6492 -134.049 -82.8734 -155.615 187.744 -121.059 45.8574 -233.239 648.706 PRESSAVG: 3946600 -8.45222 -63.3655 37.7068 -63.3656 42.4633 34.6111 37.7068 34.611 15.043 GPRESSAVG: 3946600 -9.40823 -61.5241 37.4178 -64.8647 42.9056 34.068 38.3973 35.764 15.9951 TIMING: 3946600 CPU: 12472.6, 0.00317801/step Wall: 12472.6, 0.00317801/step, 0.929921 hours remaining, 237.136719 MB of memory in use. ENERGY: 3946600 3854.9178 20646.1149 14485.8901 242.0548 -203598.5347 2893.7807 0.0000 0.0000 52056.9464 -109418.8299 299.1720 -161475.7763 -109062.7639 299.3512 236.1490 261.2671 759637.0346 16.3514 16.4975 PRESSURE: 3946800 -2.97302 130.11 -277.4 130.11 95.4928 9.20404 -277.4 9.20288 -13.6953 GPRESSURE: 3946800 156.811 174.178 -272.395 31.9399 66.6257 25.039 -214.331 53.4172 -73.2855 PRESSAVG: 3946800 -0.389962 -34.4932 79.0795 -34.4933 31.078 35.6764 79.0795 35.6765 -9.26602 GPRESSAVG: 3946800 -0.522643 -36.3423 79.3336 -32.3801 31.6116 34.7595 79.6202 35.233 -9.79408 TIMING: 3946800 CPU: 12473.2, 0.00316328/step Wall: 12473.2, 0.00316328/step, 0.925435 hours remaining, 237.136719 MB of memory in use. ENERGY: 3946800 3936.4114 20430.0730 14453.6653 213.1002 -202985.5919 2533.2151 0.0000 0.0000 52223.0867 -109196.0402 300.1268 -161419.1269 -108833.4537 299.1913 26.2748 50.0505 759996.3906 7.1407 7.0983 PRESSURE: 3947000 -250.542 25.7519 -3.51467 25.7514 -662.934 -128.624 -3.51489 -128.624 -36.2259 GPRESSURE: 3947000 -234.355 126.198 -41.7825 69.5804 -565.357 -170.488 12.0179 -204.098 -74.5774 PRESSAVG: 3947000 -8.54112 -34.8149 14.8544 -34.8149 23.96 5.2624 14.8545 5.26239 -8.86002 GPRESSAVG: 3947000 -7.85647 -33.3946 13.9803 -35.9528 23.5424 6.83665 15.8454 3.55607 -9.41379 TIMING: 3947000 CPU: 12473.9, 0.00314533/step Wall: 12473.9, 0.00314533/step, 0.92001 hours remaining, 237.136719 MB of memory in use. ENERGY: 3947000 3994.5911 20426.7005 14400.5668 245.6121 -202592.1401 2086.1067 0.0000 0.0000 52333.8608 -109104.7020 300.7634 -161438.5628 -108738.7499 299.8103 -316.5671 -291.4298 762011.7569 2.1863 2.0907 PRESSURE: 3947200 40.4747 115.055 78.3484 115.056 36.3195 136.729 78.3483 136.73 229.339 GPRESSURE: 3947200 30.0297 71.3182 -1.96692 88.2462 97.0385 140.554 33.2526 78.1339 265.368 PRESSAVG: 3947200 22.09 7.3771 53.3023 7.37709 -8.58774 -22.0408 53.3023 -22.0408 37.4067 GPRESSAVG: 3947200 21.9364 5.24234 54.6588 8.36322 -7.71721 -24.2423 50.9552 -20.5522 36.656 TIMING: 3947200 CPU: 12474.5, 0.00316145/step Wall: 12474.5, 0.00316145/step, 0.92455 hours remaining, 237.136719 MB of memory in use. ENERGY: 3947200 3997.9079 20427.6199 14436.3267 229.6422 -203154.7384 2674.0365 0.0000 0.0000 52365.9771 -109023.2281 300.9480 -161389.2051 -108651.7577 300.0837 102.0444 130.8119 761309.8757 16.9696 16.9584 PRESSURE: 3947400 181.957 -57.1734 141.388 -57.1735 -93.0609 72.2935 141.387 72.2938 277.818 GPRESSURE: 3947400 253.32 -74.5269 103.277 -88.1446 -11.04 152.611 50.8943 -22.4799 211.37 PRESSAVG: 3947400 45.2207 16.4115 9.10431 16.4115 -15.507 91.3147 9.10436 91.3147 -8.29388 GPRESSAVG: 3947400 44.6661 17.5129 8.7362 16.1369 -16.7918 92.287 9.57167 89.6768 -6.65545 TIMING: 3947400 CPU: 12475.1, 0.00317066/step Wall: 12475.1, 0.00317066/step, 0.927065 hours remaining, 237.136719 MB of memory in use. ENERGY: 3947400 3980.1380 20663.6234 14428.7496 250.0218 -203377.0752 2739.1428 0.0000 0.0000 52259.6895 -109055.7100 300.3372 -161315.3995 -108700.9985 300.3549 122.2379 151.2164 761263.3925 7.1400 7.0729 PRESSURE: 3947600 -120.896 53.416 -78.836 53.4153 -317.273 106.085 -78.8359 106.085 -175.65 GPRESSURE: 3947600 -95.8182 46.1134 32.057 128.083 -368.824 72.7595 -40.8468 153.462 -67.8146 PRESSAVG: 3947600 8.62569 48.4234 2.39626 48.4234 -50.7558 71.6791 2.39634 71.6792 10.2771 GPRESSAVG: 3947600 9.12806 48.1074 2.82226 48.8655 -50.9432 72.0233 2.84086 72.994 9.82211 TIMING: 3947600 CPU: 12475.8, 0.00319136/step Wall: 12475.8, 0.00319136/step, 0.932942 hours remaining, 237.136719 MB of memory in use. ENERGY: 3947600 4042.9658 20658.4987 14513.0331 236.6536 -203113.2012 2468.2763 0.0000 0.0000 52137.0859 -109056.6877 299.6325 -161193.7736 -108701.0093 300.3359 -204.6064 -177.4855 762431.6568 -10.6176 -10.6643 PRESSURE: 3947800 12.7855 117.636 142.288 117.636 -123.768 145.423 142.288 145.421 -34.5307 GPRESSURE: 3947800 -64.6232 153.954 160.076 84.6017 35.6665 114.144 108.894 35.5827 -30.5181 PRESSAVG: 3947800 33.0086 -36.2985 9.92983 -36.2984 33.5399 -27.1485 9.92984 -27.1485 -8.17618 GPRESSAVG: 3947800 31.1722 -35.0284 9.59765 -37.1617 34.9213 -27.979 9.96098 -26.9395 -7.41166 TIMING: 3947800 CPU: 12476.4, 0.00317673/step Wall: 12476.4, 0.00317673/step, 0.928489 hours remaining, 237.136719 MB of memory in use. ENERGY: 3947800 4063.4721 20507.5737 14525.9551 239.9974 -202999.8903 2490.4017 0.0000 0.0000 51975.7959 -109196.6944 298.7056 -161172.4903 -108836.7725 299.7228 -48.5043 -19.8249 762333.2800 19.4574 19.5606 PRESSURE: 3948000 11.5658 23.1775 19.7668 23.1778 -59.3703 1.90376 19.7661 1.90246 321.466 GPRESSURE: 3948000 91.3134 -56.0077 29.9893 -39.4236 -38.8816 21.5472 -49.0451 22.7577 300.935 PRESSAVG: 3948000 14.9278 -8.35908 15.7001 -8.35912 1.49077 -33.8224 15.7001 -33.8225 0.40826 GPRESSAVG: 3948000 15.8643 -9.67994 15.8723 -8.70104 1.02295 -34.0361 16.8985 -34.1288 -0.243815 TIMING: 3948000 CPU: 12477, 0.00317952/step Wall: 12477, 0.00317952/step, 0.929127 hours remaining, 237.136719 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: 3948000 3965.8269 20559.0708 14400.6527 249.6594 -203384.3600 2760.6836 0.0000 0.0000 52051.8551 -109396.6116 299.1427 -161448.4667 -109030.9824 299.7997 91.2204 117.7889 760632.2159 5.6089 5.5478 PRESSURE: 3948200 5.81165 -184.184 -172.399 -184.184 -351.748 124.538 -172.399 124.538 -37.113 GPRESSURE: 3948200 58.1556 -104.989 -167.93 -236.738 -260.638 46.2861 -94.8838 53.4034 -99.5494 PRESSAVG: 3948200 20.2373 -23.8608 10.1654 -23.8609 -58.573 -29.6256 10.1652 -29.6256 29.0965 GPRESSAVG: 3948200 20.5078 -23.2628 9.12752 -25.2259 -58.066 -28.0166 8.63495 -29.7887 28.4148 TIMING: 3948200 CPU: 12477.7, 0.00316014/step Wall: 12477.7, 0.00316014/step, 0.923287 hours remaining, 237.136719 MB of memory in use. ENERGY: 3948200 4004.5131 20423.7824 14420.2517 255.7823 -203217.8918 2679.0613 0.0000 0.0000 51965.0970 -109469.4040 298.6441 -161434.5010 -109091.9215 298.9907 -127.6832 -100.6773 762701.8324 -3.0797 -3.0478 LDB: ============= START OF LOAD BALANCING ============== 12490.2 LDB: ============== END OF LOAD BALANCING =============== 12490.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12490.2 LDB: ============= START OF LOAD BALANCING ============== 12490.5 LDB: Largest compute 7075 load 0.031341 is 16.0% of average load 0.195522 LDB: Average compute 0.004385 is 2.2% of average load 0.195522 LDB: TIME 12490.5 LOAD: AVG 0.195522 MAX 0.212078 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.52 MB LDB: TIME 12490.5 LOAD: AVG 0.195522 MAX 0.212078 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: TIME 12490.5 LOAD: AVG 0.195522 MAX 0.212078 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.52 MB LDB: ============== END OF LOAD BALANCING =============== 12490.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12490.5 PRESSURE: 3948400 466.782 -35.157 -255.475 -35.1574 347.786 42.9136 -255.474 42.914 215.892 GPRESSURE: 3948400 489.063 -42.5709 -288.187 -106.677 353.74 61.927 -155.073 40.4505 271.307 PRESSAVG: 3948400 16.2182 -32.9913 -31.7868 -32.9913 26.762 -16.8715 -31.7868 -16.8715 -6.71416 GPRESSAVG: 3948400 15.5375 -31.8896 -31.3666 -32.2173 27.0572 -17.6282 -31.827 -18.4635 -5.68666 TIMING: 3948400 CPU: 12478.3, 0.00323201/step Wall: 12478.3, 0.00323201/step, 0.944105 hours remaining, 235.726562 MB of memory in use. ENERGY: 3948400 3970.6663 20614.5421 14451.7180 232.9496 -203861.8327 3089.1523 0.0000 0.0000 51929.6134 -109573.1910 298.4402 -161502.8044 -109209.1342 298.8461 343.4867 371.3703 760330.9224 12.0887 12.3027 PRESSURE: 3948600 -364.064 -94.5862 -117.961 -94.5869 427.67 54.8363 -117.961 54.8359 -220.411 GPRESSURE: 3948600 -170.484 -147.451 -105.912 -41.6681 331.739 60.5104 -5.22531 119.162 -249.138 PRESSAVG: 3948600 34.4754 -19.3668 -10.9597 -19.3668 -38.0526 -2.52773 -10.9596 -2.52773 19.3587 GPRESSAVG: 3948600 35.2268 -19.3448 -10.2102 -17.399 -38.9708 -4.41634 -10.106 -1.03037 19.404 TIMING: 3948600 CPU: 12479, 0.00316672/step Wall: 12479, 0.00316672/step, 0.924858 hours remaining, 235.871094 MB of memory in use. ENERGY: 3948600 3939.7842 20397.9145 14445.5751 267.1959 -203547.8238 2688.6767 0.0000 0.0000 52128.3750 -109680.3023 299.5825 -161808.6773 -109325.1067 298.2741 -52.2683 -29.2944 762355.9980 5.2605 5.2200 PRESSURE: 3948800 -193.606 -21.3191 -86.7833 -21.3192 -145.755 -368.099 -86.7832 -368.099 -391.501 GPRESSURE: 3948800 -152.568 6.03971 -46.706 -74.3357 -139.453 -356.648 -64.9938 -347.387 -357.273 PRESSAVG: 3948800 -22.8997 -24.0715 29.3637 -24.0715 -22.1308 -19.2586 29.3638 -19.2586 1.27653 GPRESSAVG: 3948800 -23.4426 -25.814 29.2094 -24.0659 -22.5183 -16.3669 29.9245 -19.4853 2.22256 TIMING: 3948800 CPU: 12479.6, 0.00317206/step Wall: 12479.6, 0.00317206/step, 0.926241 hours remaining, 235.871094 MB of memory in use. ENERGY: 3948800 3984.9588 20505.1358 14391.1183 266.2154 -203475.8797 2735.5267 0.0000 0.0000 51868.8379 -109724.0869 298.0909 -161592.9248 -109366.6970 298.9242 -243.6208 -216.4314 762763.8791 -14.5846 -14.5795 PRESSURE: 3949000 -23.219 187.486 343.579 187.486 -290.128 -3.36718 343.578 -3.36746 -205.893 GPRESSURE: 3949000 18.1115 212.32 272.41 168.03 -221.125 -49.5727 237.627 -17.8484 -237.843 PRESSAVG: 3949000 54.4104 6.10381 13.9304 6.10378 9.61015 4.42668 13.9305 4.42666 -2.84654 GPRESSAVG: 3949000 54.7821 8.2806 13.3503 4.00935 10.384 3.46477 12.0393 3.7031 -3.55672 TIMING: 3949000 CPU: 12480.2, 0.00317071/step Wall: 12480.2, 0.00317071/step, 0.925672 hours remaining, 235.871094 MB of memory in use. ENERGY: 3949000 4006.5189 20454.8510 14476.6230 233.6176 -203753.1636 2944.7849 0.0000 0.0000 51948.9220 -109687.8461 298.5512 -161636.7681 -109313.5944 298.6273 -173.0800 -146.9522 762227.5546 20.3913 20.5365 PRESSURE: 3949200 183.849 -53.7662 11.5104 -53.7666 -106.567 -31.6248 11.5107 -31.625 0.769566 GPRESSURE: 3949200 203.895 -89.6052 -156.772 -73.5259 -29.1041 32.0972 126.76 -60.3342 -18.3326 PRESSAVG: 3949200 14.0308 10.7976 -35.6265 10.7976 0.923412 -32.2102 -35.6265 -32.2103 -10.855 GPRESSAVG: 3949200 15.1233 8.22113 -36.9369 12.7112 0.648958 -32.2986 -34.9069 -32.3127 -11.3884 TIMING: 3949200 CPU: 12480.9, 0.00317499/step Wall: 12480.9, 0.00317499/step, 0.926744 hours remaining, 235.871094 MB of memory in use. ENERGY: 3949200 4029.1110 20565.6305 14418.9413 228.8270 -203717.1117 2798.9782 0.0000 0.0000 51977.1079 -109698.5157 298.7132 -161675.6236 -109345.1854 298.5700 26.0173 52.1526 761316.0952 1.3664 1.4613 PRESSURE: 3949400 106.503 -8.46745 -31.5257 -8.46672 8.20535 -202.613 -31.5259 -202.613 -461.742 GPRESSURE: 3949400 174.155 54.6083 -71.8954 -130.614 2.49516 -186.811 74.8449 -52.4291 -468.868 PRESSAVG: 3949400 41.438 -35.9929 -6.79967 -35.993 -21.3344 14.1972 -6.79968 14.1972 17.9879 GPRESSAVG: 3949400 40.6587 -34.565 -4.52508 -36.5693 -20.266 14.6264 -6.50002 13.121 17.8326 TIMING: 3949400 CPU: 12481.5, 0.00317068/step Wall: 12481.5, 0.00317068/step, 0.925309 hours remaining, 236.128906 MB of memory in use. ENERGY: 3949400 4054.1902 20618.9214 14383.0227 242.6407 -203541.7933 2536.8696 0.0000 0.0000 51776.4089 -109929.7397 297.5597 -161706.1486 -109565.8070 298.3342 -115.6778 -97.4058 761646.6907 12.6972 12.7418 PRESSURE: 3949600 -276.093 37.3566 95.4172 37.3569 -440.666 -0.967902 95.418 -0.967211 -235.953 GPRESSURE: 3949600 -230.67 4.02993 64.9416 -42.6178 -421.236 -34.7607 -40.5932 23.4002 -205.009 PRESSAVG: 3949600 -39.827 20.9048 8.37921 20.9048 44.9159 11.4842 8.37926 11.4842 24.7397 GPRESSAVG: 3949600 -40.8148 20.8301 7.43165 20.3952 46.1194 11.4705 7.5598 13.1337 25.1282 TIMING: 3949600 CPU: 12482.1, 0.00319235/step Wall: 12482.1, 0.00319235/step, 0.931456 hours remaining, 236.128906 MB of memory in use. ENERGY: 3949600 4021.9045 20500.3039 14422.6162 247.0402 -203668.4475 2858.7275 0.0000 0.0000 51770.5660 -109847.2891 297.5262 -161617.8552 -109476.6272 298.0779 -317.5708 -285.6385 761577.0724 9.9429 10.1443 PRESSURE: 3949800 -27.1969 -114.192 96.437 -114.191 -151.913 148.936 96.4365 148.936 64.282 GPRESSURE: 3949800 -127.517 -114.381 173.866 -115.56 -18.6686 109.207 109.641 26.9028 116.061 PRESSAVG: 3949800 -17.8665 -42.2959 -8.53573 -42.2959 11.0161 -51.6423 -8.53576 -51.6424 -22.8856 GPRESSAVG: 3949800 -15.7718 -41.0558 -6.65277 -41.9687 8.57292 -51.6626 -9.96796 -54.0032 -22.6502 TIMING: 3949800 CPU: 12482.8, 0.0031991/step Wall: 12482.8, 0.0031991/step, 0.933249 hours remaining, 236.128906 MB of memory in use. ENERGY: 3949800 4005.3999 20526.3117 14482.0724 255.8031 -203681.2994 2773.2721 0.0000 0.0000 51903.2278 -109735.2124 298.2886 -161638.4402 -109381.3042 298.3979 -38.2758 -10.0413 761219.2019 -9.9120 -9.9497 PRESSURE: 3950000 -176.892 71.63 -41.2356 71.6301 -101.984 79.4743 -41.2345 79.4745 284.113 GPRESSURE: 3950000 -104.752 62.8511 -59.0184 59.3119 -109.941 215.922 56.001 32.6679 298.352 PRESSAVG: 3950000 -44.6459 -35.3903 -24.8521 -35.3903 17.736 14.981 -24.8521 14.9811 8.3494 GPRESSAVG: 3950000 -44.8868 -35.6408 -27.1041 -34.7602 18.0118 14.98 -22.1166 18.4809 8.31756 TIMING: 3950000 CPU: 12483.4, 0.00319068/step Wall: 12483.4, 0.00319068/step, 0.930614 hours remaining, 236.128906 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: 3950000 3980.2623 20747.6898 14390.9593 251.9867 -203564.7934 2752.6479 0.0000 0.0000 51930.3198 -109510.9276 298.4443 -161441.2474 -109145.7466 298.6248 1.7456 27.8863 762280.2981 -6.1868 -6.1858 PRESSURE: 3950200 204.142 -23.4029 -68.8775 -23.4032 -426.36 144.351 -68.8775 144.35 -84.3353 GPRESSURE: 3950200 192.402 -106.134 -47.4136 60.7364 -358.839 144.939 -167.027 40.2068 -60.7524 PRESSAVG: 3950200 47.0979 13.6392 -5.30469 13.6392 6.10288 -3.68172 -5.3047 -3.68173 -1.28253 GPRESSAVG: 3950200 48.1593 12.0782 -3.63028 14.4033 6.18587 -4.37469 -7.38752 -5.96327 -2.58498 TIMING: 3950200 CPU: 12484, 0.00318406/step Wall: 12484, 0.00318406/step, 0.928507 hours remaining, 236.128906 MB of memory in use. ENERGY: 3950200 4060.8333 20505.4387 14420.5927 249.0584 -203360.5356 2685.6301 0.0000 0.0000 52220.5298 -109218.4526 300.1121 -161438.9824 -108850.6175 299.3047 -102.1847 -75.7297 761621.1423 17.3061 17.2534 PRESSURE: 3950400 -339.405 -176.829 137.78 -176.827 -377.477 130.488 137.78 130.488 -244.609 GPRESSURE: 3950400 -347.463 -129.488 148.506 -107.681 -266.887 62.9796 21.2252 124.483 -249.902 PRESSAVG: 3950400 22.6332 17.926 19.5413 17.9259 -40.7952 -25.9012 19.5413 -25.9012 5.65015 GPRESSAVG: 3950400 21.533 20.0126 18.3293 16.0849 -40.2056 -24.6627 18.524 -27.2127 6.67988 TIMING: 3950400 CPU: 12484.7, 0.0031848/step Wall: 12484.7, 0.0031848/step, 0.928547 hours remaining, 236.128906 MB of memory in use. ENERGY: 3950400 3966.2277 20507.3083 14432.6678 246.5545 -203063.8707 2417.8735 0.0000 0.0000 52114.8951 -109378.3439 299.5050 -161493.2390 -109016.8260 299.5450 -320.4969 -288.0838 761745.0355 -4.1706 -3.9976 PRESSURE: 3950600 47.3643 -59.5898 123.254 -59.5892 167.32 -140.22 123.254 -140.22 44.3781 GPRESSURE: 3950600 24.1971 -96 154.254 -16.0521 242.402 -83.2735 144.828 -25.0706 99.9887 PRESSAVG: 3950600 38.4009 -27.1949 8.35263 -27.1949 -76.5034 10.3889 8.35253 10.3889 -3.43044 GPRESSAVG: 3950600 38.2407 -26.8291 8.65714 -27.4644 -77.3386 10.5645 9.9069 12.0175 -2.63081 TIMING: 3950600 CPU: 12485.3, 0.00317251/step Wall: 12485.3, 0.00317251/step, 0.924786 hours remaining, 236.128906 MB of memory in use. ENERGY: 3950600 3894.6802 20545.4877 14447.7315 241.8164 -203680.2144 2872.5453 0.0000 0.0000 52101.9360 -109576.0174 299.4305 -161677.9534 -109212.3861 298.4003 86.3541 122.1959 761279.5634 -13.8443 -13.9096 PRESSURE: 3950800 -147.51 150.28 3.1373 150.28 -257.573 -24.6464 3.13717 -24.6456 -154.931 GPRESSURE: 3950800 -170.805 68.198 -67.0158 32.2444 -105.514 35.5394 59.5768 -17.2778 -215.871 PRESSAVG: 3950800 -64.0354 -41.3217 28.2291 -41.3218 30.6909 -3.16779 28.229 -3.16773 7.11847 GPRESSAVG: 3950800 -64.2315 -42.2215 28.3446 -41.8205 32.6502 -4.26988 27.5149 -3.47486 4.61626 TIMING: 3950800 CPU: 12485.9, 0.00317093/step Wall: 12485.9, 0.00317093/step, 0.924149 hours remaining, 236.128906 MB of memory in use. ENERGY: 3950800 4004.9118 20422.3815 14425.9679 258.6367 -203199.7354 2524.6067 0.0000 0.0000 51988.8739 -109574.3570 298.7808 -161563.2308 -109200.7948 298.5895 -186.6717 -164.0635 761172.2409 -8.7420 -8.9883 PRESSURE: 3951000 -1.19231 -143.21 131.706 -143.21 -45.2436 -7.03416 131.706 -7.03286 -397.008 GPRESSURE: 3951000 -48.375 -21.5903 64.9653 -30.3635 -10.5397 -67.9046 185.627 92.2469 -293.444 PRESSAVG: 3951000 11.3178 42.4922 -17.4148 42.4922 29.8384 13.3276 -17.4147 13.3277 -18.6599 GPRESSAVG: 3951000 9.87483 42.964 -18.8243 41.8817 30.0525 13.0519 -14.7676 14.4841 -16.932 TIMING: 3951000 CPU: 12486.6, 0.00316863/step Wall: 12486.6, 0.00316863/step, 0.923302 hours remaining, 236.128906 MB of memory in use. ENERGY: 3951000 4032.4873 20492.2882 14448.5707 246.8932 -203139.4155 2399.4006 0.0000 0.0000 51858.0913 -109661.6843 298.0292 -161519.7756 -109300.2348 298.9063 -147.8147 -117.4529 760506.1119 7.4987 7.6651 PRESSURE: 3951200 -292.432 -76.1481 151.941 -76.1476 89.951 95.7646 151.94 95.7655 -39.9815 GPRESSURE: 3951200 -253.094 20.6843 178.888 -22.4419 99.9322 156.831 145.975 29.7722 -4.50551 PRESSAVG: 3951200 -9.23089 -60.6038 23.6648 -60.6038 -20.4603 -20.6982 23.6648 -20.6981 11.9227 GPRESSAVG: 3951200 -6.52589 -61.719 23.6613 -58.126 -23.0921 -19.7154 23.2645 -21.782 12.0455 TIMING: 3951200 CPU: 12487.2, 0.00317879/step Wall: 12487.2, 0.00317879/step, 0.926087 hours remaining, 236.128906 MB of memory in use. ENERGY: 3951200 3964.9080 20339.5544 14460.2432 249.9937 -203201.1999 2654.2649 0.0000 0.0000 51865.2702 -109666.9654 298.0704 -161532.2356 -109299.9923 298.2323 -80.8208 -52.5556 761607.0458 -5.9228 -5.8575 PRESSURE: 3951400 188.399 -32.8341 185.974 -32.8337 49.8976 176.535 185.974 176.535 601.344 GPRESSURE: 3951400 277.717 -5.23145 239.327 -53.0707 74.086 128.709 184.532 50.7491 552.172 PRESSAVG: 3951400 12.8505 -7.4196 -21.2567 -7.41955 9.34694 1.19807 -21.2566 1.19807 42.9903 GPRESSAVG: 3951400 10.2559 -10.3889 -20.0478 -5.85923 11.0346 0.718369 -22.3955 1.08721 43.6991 TIMING: 3951400 CPU: 12487.9, 0.00316522/step Wall: 12487.9, 0.00316522/step, 0.921958 hours remaining, 236.128906 MB of memory in use. ENERGY: 3951400 3901.0900 20494.5924 14420.2239 259.2571 -203377.8622 2711.2377 0.0000 0.0000 51852.6158 -109738.8452 297.9977 -161591.4610 -109371.4192 298.0496 279.8802 301.3250 760578.3255 21.7292 21.6632 PRESSURE: 3951600 -51.9782 22.8131 121.979 22.8125 -327.658 227.13 121.979 227.13 -94.6094 GPRESSURE: 3951600 -42.652 53.7146 48.2608 8.8321 -260.864 170.869 -21.3506 321.868 -89.2387 PRESSAVG: 3951600 0.573024 -36.0114 15.8385 -36.0114 -5.04836 37.1351 15.8384 37.1351 3.36489 GPRESSAVG: 3951600 2.97195 -33.4789 16.7007 -38.0718 -7.08775 36.4387 15.9981 38.0271 2.52419 TIMING: 3951600 CPU: 12488.5, 0.00315774/step Wall: 12488.5, 0.00315774/step, 0.919605 hours remaining, 236.128906 MB of memory in use. ENERGY: 3951600 3928.7829 20491.3569 14445.6073 222.6306 -203024.8574 2419.0367 0.0000 0.0000 51728.6887 -109788.7541 297.2855 -161517.4429 -109431.8043 298.1865 -158.0819 -130.9184 761545.0247 -0.3701 -0.5305 PRESSURE: 3951800 85.3641 -241.056 47.7859 -241.056 45.7238 -120.39 47.7866 -120.389 154.442 GPRESSURE: 3951800 106.786 -295.446 21.7756 -111.247 93.6246 -96.0326 -23.6908 -67.7116 175.07 PRESSAVG: 3951800 -8.111 7.98208 -23.0558 7.98214 -29.0643 9.47691 -23.0558 9.47693 -1.58295 GPRESSAVG: 3951800 -9.93393 8.29351 -24.4003 8.54585 -28.2429 9.85923 -23.8571 9.11866 -0.921161 TIMING: 3951800 CPU: 12489.1, 0.00315331/step Wall: 12489.1, 0.00315331/step, 0.918139 hours remaining, 236.128906 MB of memory in use. ENERGY: 3951800 3996.3233 20272.3951 14433.8637 248.4168 -203391.6908 2460.7857 0.0000 0.0000 52256.1641 -109723.7421 300.3169 -161979.9062 -109349.7775 298.5658 95.1767 125.1602 759864.0003 -12.9194 -13.0327 PRESSURE: 3952000 128.275 -105.556 -60.9776 -105.556 217.482 -103.963 -60.9776 -103.962 54.0043 GPRESSURE: 3952000 166.128 -97.1756 -10.4337 -9.11549 244.478 -120.775 10.4314 -94.6924 49.6464 PRESSAVG: 3952000 -18.9352 -40.6923 3.9628 -40.6923 17.7893 19.8604 3.96279 19.8605 0.451718 GPRESSAVG: 3952000 -17.6328 -39.1006 4.31919 -41.5914 16.9471 20.8039 3.39852 19.7721 0.163744 TIMING: 3952000 CPU: 12489.7, 0.00316788/step Wall: 12489.7, 0.00316788/step, 0.922204 hours remaining, 236.128906 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: 3952000 4044.3014 20306.5873 14442.6672 228.8279 -203830.8252 2877.4604 0.0000 0.0000 52110.3610 -109820.6200 299.4790 -161930.9810 -109457.7601 298.6135 133.2539 153.4174 761504.0836 -0.2314 -0.1740 PRESSURE: 3952200 -239.754 -168.367 -125.193 -168.366 -63.4925 50.6331 -125.192 50.6324 -455.305 GPRESSURE: 3952200 -191.863 -117.405 -123.572 -154.191 -72.045 -0.180818 -113.516 91.1449 -419.635 PRESSAVG: 3952200 -19.1123 -15.685 -38.6306 -15.685 -24.4194 13.9677 -38.6306 13.9677 -8.56577 GPRESSAVG: 3952200 -18.8037 -18.5704 -39.3806 -16.0117 -25.3098 12.7101 -38.2191 14.1544 -8.13326 TIMING: 3952200 CPU: 12490.4, 0.00317133/step Wall: 12490.4, 0.00317133/step, 0.923032 hours remaining, 236.128906 MB of memory in use. ENERGY: 3952200 4010.8465 20518.5932 14454.6373 234.4186 -203744.6066 2772.5906 0.0000 0.0000 52151.6160 -109601.9045 299.7161 -161753.5205 -109240.2489 298.7478 -252.8503 -227.8477 760528.9084 -17.3658 -17.4156 LDB: ============= START OF LOAD BALANCING ============== 12502.9 LDB: ============== END OF LOAD BALANCING =============== 12502.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12502.9 LDB: ============= START OF LOAD BALANCING ============== 12503.2 LDB: Largest compute 7031 load 0.032740 is 16.7% of average load 0.195714 LDB: Average compute 0.004388 is 2.2% of average load 0.195714 LDB: TIME 12503.2 LOAD: AVG 0.195714 MAX 0.217055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.504 MB LDB: TIME 12503.2 LOAD: AVG 0.195714 MAX 0.217055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.66 MB LDB: TIME 12503.2 LOAD: AVG 0.195714 MAX 0.217055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.66 MB LDB: ============== END OF LOAD BALANCING =============== 12503.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12503.2 PRESSURE: 3952400 206.605 36.6554 -164.08 36.6551 -36.2166 70.0708 -164.08 70.0709 -77.7162 GPRESSURE: 3952400 165.21 -60.5573 -84.5965 140.751 13.7809 103.176 -161.702 6.46331 0.445271 PRESSAVG: 3952400 46.0821 -51.5407 -67.0206 -51.5407 -6.09774 0.863433 -67.0206 0.863457 32.572 GPRESSAVG: 3952400 46.312 -50.8946 -66.6321 -52.4405 -5.15716 2.14828 -65.607 -1.04101 32.1613 TIMING: 3952400 CPU: 12491, 0.00324997/step Wall: 12491, 0.00324997/step, 0.94574 hours remaining, 237.789062 MB of memory in use. ENERGY: 3952400 3985.5592 20371.4847 14505.0901 241.3109 -203540.7094 2817.7359 0.0000 0.0000 52076.7479 -109542.7807 299.2858 -161619.5286 -109175.6405 299.0717 30.8908 59.8119 760472.8937 24.1855 24.4387 PRESSURE: 3952600 -206.121 10.1524 -105.974 10.1515 -288.779 91.384 -105.974 91.384 56.2387 GPRESSURE: 3952600 -138.104 -18.0209 -226.585 23.666 -236.085 36.6561 -101.085 127.338 11.1165 PRESSAVG: 3952600 -21.0878 -18.4419 24.7536 -18.4419 -8.82924 27.5219 24.7536 27.5219 0.693935 GPRESSAVG: 3952600 -20.9611 -16.959 24.6835 -17.2301 -9.38089 29.7219 24.4469 27.3891 0.201618 TIMING: 3952600 CPU: 12491.7, 0.00317095/step Wall: 12491.7, 0.00317095/step, 0.922572 hours remaining, 237.859375 MB of memory in use. ENERGY: 3952600 4007.7884 20388.5871 14442.6818 259.2561 -203072.4225 2474.9338 0.0000 0.0000 52028.7613 -109470.4141 299.0100 -161499.1754 -109106.4971 298.8124 -146.2204 -121.0241 761332.6139 -9.7410 -10.0468 PRESSURE: 3952800 -9.29582 -32.542 -13.2939 -32.541 -384.509 74.6585 -13.2938 74.6582 144.151 GPRESSURE: 3952800 -7.68623 -69.1674 2.15031 -82.7317 -382.144 88.7357 15.7832 104.37 197.618 PRESSAVG: 3952800 2.66569 -26.822 31.6175 -26.8219 -22.3093 30.9128 31.6175 30.9128 4.79505 GPRESSAVG: 3952800 2.86217 -28.7899 32.5988 -28.0611 -22.5568 29.0669 30.0999 31.3807 4.90639 TIMING: 3952800 CPU: 12492.3, 0.00315302/step Wall: 12492.3, 0.00315302/step, 0.917178 hours remaining, 237.859375 MB of memory in use. ENERGY: 3952800 3967.5288 20592.3260 14410.4155 257.4021 -203250.1044 2410.0437 0.0000 0.0000 52016.5956 -109595.7927 298.9401 -161612.3883 -109234.5969 298.7034 -83.2182 -64.0709 761967.5977 -4.9495 -4.9294 PRESSURE: 3953000 163.875 -230.656 -134.14 -230.655 244.037 -91.0783 -134.139 -91.079 152.274 GPRESSURE: 3953000 206.311 -148.898 -75.5196 -145.335 231.349 -120.198 -90.0116 -82.1813 200.018 PRESSAVG: 3953000 18.8888 -16.0616 20.0516 -16.0616 -62.2508 2.69096 20.0516 2.69098 -5.93301 GPRESSAVG: 3953000 18.5899 -16.0253 21.298 -17.1757 -62.28 4.01989 22.2993 2.71101 -5.38922 TIMING: 3953000 CPU: 12492.9, 0.00315425/step Wall: 12492.9, 0.00315425/step, 0.917361 hours remaining, 237.859375 MB of memory in use. ENERGY: 3953000 3990.6483 20482.7338 14422.5863 230.2291 -203638.2906 3013.0830 0.0000 0.0000 51940.3588 -109558.6512 298.5020 -161499.0100 -109205.3715 298.4939 186.7285 212.5593 762808.0678 -16.4317 -16.3598 PRESSURE: 3953200 -257.872 -106.414 -176.92 -106.414 96.4895 -154.33 -176.92 -154.33 203.776 GPRESSURE: 3953200 -205.727 -142.618 -254.215 -86.6073 129.889 -116.239 38.8443 -207.572 187.883 PRESSAVG: 3953200 -32.1165 -63.5592 13.046 -63.5591 -34.0967 -25.3338 13.0461 -25.3338 -10.6364 GPRESSAVG: 3953200 -30.5844 -63.8307 10.7004 -63.4637 -34.25 -27.2952 13.5724 -25.6678 -12.0532 TIMING: 3953200 CPU: 12493.6, 0.00316378/step Wall: 12493.6, 0.00316378/step, 0.919957 hours remaining, 237.859375 MB of memory in use. ENERGY: 3953200 3934.1879 20465.4367 14499.7898 225.5664 -203319.2476 2658.0188 0.0000 0.0000 51861.0580 -109675.1900 298.0462 -161536.2480 -109313.1572 298.4479 14.1312 37.3486 762778.4078 -25.6166 -25.6292 PRESSURE: 3953400 -318.599 10.6848 -201.428 10.685 -447.935 -175.22 -201.427 -175.221 -538.124 GPRESSURE: 3953400 -285.307 43.7037 -274.558 14.0495 -369.307 -195.207 -226.749 -26.4793 -559.697 PRESSAVG: 3953400 13.8226 -4.11317 40.1058 -4.11317 -55.4326 -23.4119 40.1057 -23.4118 -5.91593 GPRESSAVG: 3953400 12.5517 -1.0272 41.5906 -5.307 -54.8813 -24.0628 35.8229 -20.967 -4.61982 TIMING: 3953400 CPU: 12494.2, 0.00316232/step Wall: 12494.2, 0.00316232/step, 0.919357 hours remaining, 237.859375 MB of memory in use. ENERGY: 3953400 4050.7082 20381.0935 14472.6460 251.4134 -203167.4472 2484.6677 0.0000 0.0000 51928.2371 -109598.6814 298.4323 -161526.9185 -109238.3474 298.5265 -434.8861 -404.7707 761966.2049 -15.8420 -15.6498 PRESSURE: 3953600 1.04197 -6.07793 -2.61502 -6.07786 87.4288 -182.689 -2.61466 -182.688 -36.5525 GPRESSURE: 3953600 -19.7331 8.62788 21.0119 38.32 181.79 -115.02 86.4805 -177.871 -27.5744 PRESSAVG: 3953600 38.7844 -50.7326 -34.9384 -50.7326 -48.3407 0.372866 -34.9385 0.372874 17.1467 GPRESSAVG: 3953600 37.8394 -51.5053 -34.9616 -49.1588 -47.0938 1.54636 -31.2978 -0.763674 16.5868 TIMING: 3953600 CPU: 12494.8, 0.00316671/step Wall: 12494.8, 0.00316671/step, 0.920458 hours remaining, 237.859375 MB of memory in use. ENERGY: 3953600 3913.0315 20375.1373 14465.6351 250.9667 -203429.4269 2853.9601 0.0000 0.0000 51988.9905 -109581.7057 298.7814 -161570.6962 -109213.8066 298.9134 17.3061 44.8274 760783.1456 2.5301 2.4441 PRESSURE: 3953800 -125.763 -105.675 -177.078 -105.674 -5.62073 -77.0407 -177.078 -77.0409 207.145 GPRESSURE: 3953800 -67.0503 -102.016 -166.864 -59.6713 62.4077 -105.513 -183.04 -70.9988 167.729 PRESSAVG: 3953800 -13.3196 -30.0444 20.7824 -30.0444 24.9224 44.1542 20.7824 44.1542 -7.16798 GPRESSAVG: 3953800 -13.151 -33.5339 21.249 -28.5481 24.2288 44.4156 19.6287 42.9505 -6.58169 TIMING: 3953800 CPU: 12495.5, 0.00316836/step Wall: 12495.5, 0.00316836/step, 0.920762 hours remaining, 237.859375 MB of memory in use. ENERGY: 3953800 4028.7210 20511.5480 14392.4662 247.5372 -203201.9175 2568.0592 0.0000 0.0000 51843.8551 -109609.7307 297.9473 -161453.5858 -109244.4301 298.3078 25.2538 54.3622 763030.3484 1.4783 1.4987 PRESSURE: 3954000 -234.271 83.1849 -185.082 83.1848 -542.256 147.3 -185.081 147.3 128.71 GPRESSURE: 3954000 -297.705 26.7976 -207.14 111.899 -390.615 197.269 -94.444 93.5276 136.7 PRESSAVG: 3954000 -41.0073 24.1951 -23.9976 24.1951 26.2031 37.4412 -23.9977 37.4411 22.1885 GPRESSAVG: 3954000 -39.9382 27.7357 -25.0357 23.8478 26.0739 37.7665 -25.3458 38.596 21.6491 TIMING: 3954000 CPU: 12496.1, 0.00315043/step Wall: 12496.1, 0.00315043/step, 0.915375 hours remaining, 237.859375 MB of memory 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 4027.3323 20383.4458 14486.2200 252.7025 -203533.3503 2635.0220 0.0000 0.0000 52144.3636 -109604.2641 299.6744 -161748.6278 -109237.8274 298.3523 -215.9391 -183.8735 761487.5342 2.4614 2.5949 PRESSURE: 3954200 -113.488 -59.6944 195.834 -59.6941 -177.318 -127.07 195.834 -127.071 34.1847 GPRESSURE: 3954200 -31.5915 -101.473 258.342 -104.592 -168.658 -83.9855 151.632 -66.9379 30.2831 PRESSAVG: 3954200 -31.3036 -86.7012 -5.96096 -86.7011 41.5596 -25.0105 -5.96096 -25.0105 -9.11161 GPRESSAVG: 3954200 -32.09 -88.4622 -7.81891 -86.6575 42.8487 -25.2122 -3.91519 -25.269 -9.31693 TIMING: 3954200 CPU: 12496.7, 0.00313642/step Wall: 12496.7, 0.00313642/step, 0.911129 hours remaining, 237.859375 MB of memory in use. ENERGY: 3954200 3968.5062 20443.8682 14406.2953 245.0338 -203256.8984 2654.7464 0.0000 0.0000 51958.8853 -109579.5632 298.6084 -161538.4485 -109216.5345 298.7141 -85.5405 -56.6555 762479.2965 0.3815 0.4806 PRESSURE: 3954400 -299.849 87.004 101.925 87.0045 -2.8358 -373.306 101.925 -373.306 -256.29 GPRESSURE: 3954400 -260.309 218.587 133.97 91.0623 26.3712 -264.662 120.373 -194.516 -242.539 PRESSAVG: 3954400 -46.1814 -21.881 47.5164 -21.8811 58.2446 -24.1728 47.5165 -24.1728 9.29394 GPRESSAVG: 3954400 -45.3333 -19.9451 49.9723 -22.2749 57.1573 -24.8826 46.9974 -22.8327 9.24939 TIMING: 3954400 CPU: 12497.3, 0.00314935/step Wall: 12497.3, 0.00314935/step, 0.914711 hours remaining, 237.859375 MB of memory in use. ENERGY: 3954400 3991.1270 20460.4288 14394.8197 247.9385 -203038.6905 2505.8575 0.0000 0.0000 51961.4852 -109477.0339 298.6234 -161438.5191 -109113.9646 298.7867 -186.3249 -158.8255 761731.6703 7.1190 7.0245 PRESSURE: 3954600 -62.02 102.067 31.3385 102.068 22.0381 -81.6578 31.3381 -81.6584 168.521 GPRESSURE: 3954600 -13.5914 88.6788 71.9209 165.532 32.9225 -99.5493 -74.3105 -88.5377 189.966 PRESSAVG: 3954600 -34.5403 -3.91866 -29.8086 -3.91868 6.56707 -16.1436 -29.8086 -16.1437 7.25253 GPRESSAVG: 3954600 -35.3611 -5.91746 -29.6161 -2.15237 7.37493 -16.5273 -31.4938 -16.6491 7.5807 TIMING: 3954600 CPU: 12498, 0.00316375/step Wall: 12498, 0.00316375/step, 0.918717 hours remaining, 237.859375 MB of memory in use. ENERGY: 3954600 3993.2870 20552.1747 14418.8963 241.2566 -203394.2733 2796.3275 0.0000 0.0000 51942.1262 -109450.2049 298.5121 -161392.3311 -109092.8220 299.1284 42.8462 69.7657 762928.2958 -6.9069 -6.8018 PRESSURE: 3954800 -266.414 136.127 67.7928 136.127 429.248 140.204 67.7917 140.202 -204.43 GPRESSURE: 3954800 -218.915 85.0632 82.8565 92.4243 396.57 100.277 156.011 14.2039 -150.433 PRESSAVG: 3954800 -2.44029 -31.0871 15.6437 -31.0871 20.0405 -6.36363 15.6437 -6.3637 -1.66861 GPRESSAVG: 3954800 -1.15437 -33.0773 16.5513 -33.1063 18.7707 -4.73896 15.6474 -7.9562 -2.09074 TIMING: 3954800 CPU: 12498.6, 0.00315401/step Wall: 12498.6, 0.00315401/step, 0.915713 hours remaining, 237.859375 MB of memory in use. ENERGY: 3954800 3934.8036 20600.6271 14420.6940 259.7140 -203114.5921 2556.4578 0.0000 0.0000 51906.1662 -109436.1294 298.3055 -161342.2956 -109079.1291 298.6780 -13.8656 9.0738 761629.7243 5.3105 5.1752 PRESSURE: 3955000 -8.16472 169.544 81.0509 169.544 126.75 -192.044 81.051 -192.043 -143.612 GPRESSURE: 3955000 -51.9532 173.734 33.4058 284.043 167.249 -168.172 69.5727 -132.545 -82.4745 PRESSAVG: 3955000 -3.68741 -31.4786 -13.9918 -31.4786 17.4206 -21.5124 -13.9918 -21.5123 38.7556 GPRESSAVG: 3955000 -5.28383 -29.9975 -14.3076 -29.5653 17.9706 -22.5482 -13.9558 -20.3071 39.6556 TIMING: 3955000 CPU: 12499.2, 0.00316775/step Wall: 12499.2, 0.00316775/step, 0.919527 hours remaining, 237.859375 MB of memory in use. ENERGY: 3955000 3958.6160 20515.9045 14400.9365 244.2560 -203565.5067 2788.7890 0.0000 0.0000 52252.3150 -109404.6896 300.2948 -161657.0046 -109043.2491 298.7581 -8.3424 10.9405 763432.3181 17.4963 17.4474 PRESSURE: 3955200 95.4531 -123.956 -6.73779 -123.956 -259.589 -19.0264 -6.7366 -19.0271 93.2073 GPRESSURE: 3955200 91.5383 -124.535 -35.7346 -121.525 -137.171 69.2922 101.389 -39.9951 39.3286 PRESSAVG: 3955200 -7.09943 -68.8881 17.5886 -68.888 -11.3256 14.6052 17.5886 14.6052 12.9299 GPRESSAVG: 3955200 -5.8678 -68.209 16.1131 -68.6482 -11.6615 14.0627 17.8029 16.8012 12.2556 TIMING: 3955200 CPU: 12499.9, 0.00317585/step Wall: 12499.9, 0.00317585/step, 0.921702 hours remaining, 237.859375 MB of memory in use. ENERGY: 3955200 3978.4096 20507.6384 14500.8607 272.8348 -203523.5008 2607.7013 0.0000 0.0000 52315.7641 -109340.2918 300.6594 -161656.0560 -108978.4567 298.9115 -23.6428 -2.1014 761740.5861 -1.8317 -1.7579 PRESSURE: 3955400 315.089 115.648 21.2617 115.647 105.524 76.2167 21.2617 76.2161 121.384 GPRESSURE: 3955400 322.765 64.9978 -12.4473 -6.46664 234.542 49.0623 48.1555 113.669 77.0816 PRESSAVG: 3955400 17.8852 -48.4568 -27.0385 -48.4568 15.8086 -80.9134 -27.0385 -80.9134 7.43231 GPRESSAVG: 3955400 17.9358 -46.9839 -27.4801 -50.5079 16.7981 -80.5538 -26.2069 -81.9613 6.26203 TIMING: 3955400 CPU: 12500.5, 0.00318567/step Wall: 12500.5, 0.00318567/step, 0.924375 hours remaining, 237.859375 MB of memory in use. ENERGY: 3955400 4030.8023 20439.9484 14437.4347 231.7376 -203629.8783 2928.9570 0.0000 0.0000 52220.9452 -109340.0531 300.1145 -161560.9983 -108967.2311 298.7608 180.6655 211.4630 761123.5497 13.7087 13.6653 PRESSURE: 3955600 -126.199 -119.614 -66.4426 -119.613 -165.635 -17.1278 -66.4428 -17.1275 -178.204 GPRESSURE: 3955600 -112.951 -81.705 -26.3549 -103.461 -118.885 -63.3716 -268.127 -35.1148 -162.795 PRESSAVG: 3955600 22.9052 -3.27355 -18.3799 -3.27353 29.8148 4.29791 -18.38 4.29788 2.87305 GPRESSAVG: 3955600 22.3774 -3.11616 -18.3801 -4.02508 30.3246 2.99444 -19.6053 3.86548 3.07572 TIMING: 3955600 CPU: 12501.2, 0.00317351/step Wall: 12501.2, 0.00317351/step, 0.92067 hours remaining, 237.859375 MB of memory in use. ENERGY: 3955600 3965.9992 20595.9407 14363.5456 271.4190 -203098.3518 2569.7438 0.0000 0.0000 51876.2427 -109455.4607 298.1335 -161331.7035 -109083.8279 299.1451 -156.6791 -131.5436 763224.9532 18.5310 18.5926 PRESSURE: 3955800 171.361 -3.63369 -102.561 -3.6328 103.771 134.899 -102.561 134.899 137.452 GPRESSURE: 3955800 98.343 -2.82492 -158.344 -166.559 176.016 71.4082 -50.1003 177.125 214.26 PRESSAVG: 3955800 -38.2072 17.3286 41.6888 17.3287 7.29231 -20.8528 41.6888 -20.8527 -17.4099 GPRESSAVG: 3955800 -38.9935 17.3487 42.6033 16.3858 7.2782 -19.5105 40.0174 -20.6793 -16.447 TIMING: 3955800 CPU: 12501.8, 0.00315945/step Wall: 12501.8, 0.00315945/step, 0.916415 hours remaining, 237.859375 MB of memory in use. ENERGY: 3955800 3964.7754 20552.4756 14402.2630 257.2803 -203289.3452 2575.0386 0.0000 0.0000 52086.9963 -109450.5160 299.3447 -161537.5123 -109083.9718 298.4299 137.5277 162.8729 762274.3811 -16.1082 -16.0541 PRESSURE: 3956000 213.141 -88.5478 -16.0898 -88.5477 94.9894 46.7264 -16.0888 46.7254 336.085 GPRESSURE: 3956000 303.351 34.8952 -58.6877 -53.9479 88.5251 -6.06482 -100.857 79.7206 343.561 PRESSAVG: 3956000 13.8331 -32.773 46.0559 -32.773 -17.4445 13.1523 46.0559 13.1523 -6.94418 GPRESSAVG: 3956000 15.1853 -35.0041 45.6616 -31.5162 -18.1894 13.6332 47.4362 13.3711 -7.17915 TIMING: 3956000 CPU: 12502.4, 0.00315972/step Wall: 12502.4, 0.00315972/step, 0.91632 hours remaining, 237.859375 MB of memory 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 3933.1138 20651.6543 14394.4082 255.6067 -203606.4401 2731.1475 0.0000 0.0000 52241.6925 -109398.8171 300.2337 -161640.5095 -109031.7080 298.8391 214.7387 245.1459 761262.8226 -3.5185 -3.3944 PRESSURE: 3956200 452.396 19.4189 150.638 19.4192 396.695 -271.006 150.638 -271.006 375.01 GPRESSURE: 3956200 553.787 29.2747 204.435 7.25761 357.076 -381.455 68.05 -111.866 398.077 PRESSAVG: 3956200 79.338 -22.2491 -55.1764 -22.2491 -41.6805 -31.0005 -55.1765 -31.0005 -1.38039 GPRESSAVG: 3956200 79.0742 -21.3637 -54.0027 -22.2043 -42.2097 -31.9569 -56.3916 -31.4079 -0.398657 TIMING: 3956200 CPU: 12503, 0.00314858/step Wall: 12503, 0.00314858/step, 0.912915 hours remaining, 237.859375 MB of memory in use. ENERGY: 3956200 3916.8019 20492.6786 14457.3280 222.8750 -203964.6222 3165.9937 0.0000 0.0000 52073.3623 -109635.5827 299.2663 -161708.9450 -109269.8600 298.4831 408.0334 436.3131 760643.5826 12.0924 12.1553 LDB: ============= START OF LOAD BALANCING ============== 12515.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12515.6 LDB: =============== DONE WITH MIGRATION ================ 12515.6 LDB: ============= START OF LOAD BALANCING ============== 12515.9 LDB: Largest compute 7075 load 0.033767 is 17.3% of average load 0.195604 LDB: Average compute 0.004383 is 2.2% of average load 0.195604 LDB: TIME 12515.9 LOAD: AVG 0.195604 MAX 0.216051 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.133 MB LDB: TIME 12515.9 LOAD: AVG 0.195604 MAX 0.216051 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: TIME 12515.9 LOAD: AVG 0.195604 MAX 0.216051 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.133 MB LDB: ============== END OF LOAD BALANCING =============== 12515.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12515.9 PRESSURE: 3956400 30.6287 239.475 -146.649 239.475 -52.8063 -12.1807 -146.649 -12.1793 -152.842 GPRESSURE: 3956400 11.9929 80.9248 -207.292 154.426 -38.8558 1.71904 -76.7986 -155.591 -58.872 PRESSAVG: 3956400 12.1213 -33.2542 39.2042 -33.2542 1.75225 -16.2989 39.2043 -16.2988 -13.0465 GPRESSAVG: 3956400 12.0218 -34.0934 36.9238 -31.0868 1.97313 -16.2081 42.9139 -17.9733 -13.6428 TIMING: 3956400 CPU: 12503.7, 0.00321873/step Wall: 12503.7, 0.00321873/step, 0.933073 hours remaining, 235.449219 MB of memory in use. ENERGY: 3956400 4004.2344 20695.4244 14429.1982 246.7469 -203451.8705 2631.1891 0.0000 0.0000 51955.7020 -109489.3757 298.5901 -161445.0776 -109137.5096 298.6765 -58.3399 -28.5783 760905.9636 0.2757 0.1174 PRESSURE: 3956600 -211.533 -25.0323 135.631 -25.0316 126.238 -115.154 135.631 -115.155 198.997 GPRESSURE: 3956600 -222.349 64.8882 60.9312 -21.5564 162.054 -61.8323 150.53 -35.4186 248.341 PRESSAVG: 3956600 19.1287 -1.66932 -19.9472 -1.6693 23.7776 -4.35344 -19.9472 -4.35349 -8.58513 GPRESSAVG: 3956600 17.434 -0.0805329 -16.8632 -3.56274 25.5087 -4.8435 -23.4612 -2.29466 -8.3772 TIMING: 3956600 CPU: 12504.3, 0.00316922/step Wall: 12504.3, 0.00316922/step, 0.918545 hours remaining, 235.652344 MB of memory in use. ENERGY: 3956600 4043.8581 20609.2085 14439.4492 250.8555 -203549.7480 2784.5431 0.0000 0.0000 52044.0082 -109377.8254 299.0976 -161421.8336 -109020.8093 299.2382 37.9009 62.6817 761561.4491 11.4404 11.5219 PRESSURE: 3956800 342.444 -0.682942 380.723 -0.682704 30.141 100.003 380.724 100.004 241.559 GPRESSURE: 3956800 375.952 -19.6046 365.014 -52.0919 81.6909 55.301 287.597 32.4575 252.971 PRESSAVG: 3956800 26.1336 43.5059 71.5264 43.5059 -46.3428 12.7941 71.5265 12.794 16.0234 GPRESSAVG: 3956800 29.6993 42.0017 70.0341 42.9543 -48.6826 12.6833 71.8271 12.6156 15.5062 TIMING: 3956800 CPU: 12505, 0.00316633/step Wall: 12505, 0.00316633/step, 0.917532 hours remaining, 235.652344 MB of memory in use. ENERGY: 3956800 3987.4431 20522.8963 14410.8325 234.1900 -203362.2380 2714.4562 0.0000 0.0000 52033.4590 -109458.9610 299.0370 -161492.4200 -109091.9314 299.1243 204.7147 236.8712 762655.7778 -1.3953 -1.1590 PRESSURE: 3957000 -191.736 -40.2166 -122.985 -40.2168 -225.961 -109.755 -122.985 -109.754 259.979 GPRESSURE: 3957000 -115.081 -60.7645 -75.5595 31.5636 -174.902 -9.53986 -53.2826 -151.942 228.475 PRESSAVG: 3957000 5.59956 42.3771 0.203526 42.3771 -27.4938 27.0752 0.203482 27.0752 -13.4182 GPRESSAVG: 3957000 4.5865 42.8165 1.86436 42.6346 -27.057 28.1966 1.33959 24.2406 -12.7298 TIMING: 3957000 CPU: 12505.6, 0.0031557/step Wall: 12505.6, 0.0031557/step, 0.914277 hours remaining, 235.652344 MB of memory in use. ENERGY: 3957000 3960.0969 20543.9349 14407.0082 239.5870 -203316.1272 2693.6135 0.0000 0.0000 52107.1699 -109364.7168 299.4606 -161471.8867 -109004.9147 299.5807 -52.5727 -20.5026 762847.5528 -11.7708 -11.7334 PRESSURE: 3957200 -284.95 -112.187 206.555 -112.186 -39.9409 6.99718 206.556 6.99769 -179.804 GPRESSURE: 3957200 -234.148 13.9556 316.318 -188.478 -96.7057 34.6345 11.5088 208.771 -105.371 PRESSAVG: 3957200 -44.8652 0.752944 23.752 0.752876 26.7036 -40.3829 23.7521 -40.3828 -13.4991 GPRESSAVG: 3957200 -44.8438 0.196532 23.6701 1.47425 26.4757 -41.4041 23.1263 -37.868 -13.5687 TIMING: 3957200 CPU: 12506.2, 0.00315077/step Wall: 12506.2, 0.00315077/step, 0.912673 hours remaining, 235.652344 MB of memory in use. ENERGY: 3957200 4076.0947 20441.2173 14436.5078 263.8002 -203200.4854 2625.6738 0.0000 0.0000 51927.4439 -109429.7477 298.4277 -161357.1916 -109057.9286 299.2698 -168.2316 -145.4080 763529.0033 -10.5536 -10.6456 PRESSURE: 3957400 42.3592 -122.045 -105.474 -122.045 270.64 107.357 -105.474 107.356 -265.587 GPRESSURE: 3957400 64.3552 -174.311 -17.5337 -134.195 286.435 38.1451 -81.5416 111.002 -220.336 PRESSAVG: 3957400 -22.6376 48.9519 11.1165 48.9519 -24.4017 -4.5638 11.1165 -4.56386 -21.3689 GPRESSAVG: 3957400 -23.742 49.5899 8.44647 48.3929 -24.0906 -2.84513 12.7462 -3.98674 -21.3058 TIMING: 3957400 CPU: 12506.8, 0.00315306/step Wall: 12506.8, 0.00315306/step, 0.913161 hours remaining, 235.652344 MB of memory in use. ENERGY: 3957400 4030.6313 20435.3264 14434.0665 243.6974 -203458.7651 2790.0327 0.0000 0.0000 52012.0014 -109513.0093 298.9137 -161525.0108 -109147.2974 298.5962 15.8043 43.4847 761826.7100 -22.8027 -23.0461 PRESSURE: 3957600 -81.0197 140.854 -211.438 140.854 -101.258 5.73899 -211.439 5.73915 -18.5694 GPRESSURE: 3957600 -41.6053 126.858 -277.682 97.6105 -74.2072 -60.8476 -200.805 -70.7165 34.0318 PRESSAVG: 3957600 -50.2871 -57.8917 51.5536 -57.8917 36.7951 -31.2377 51.5536 -31.2377 32.6601 GPRESSAVG: 3957600 -50.7728 -58.5388 52.2693 -57.6588 37.5916 -31.0926 49.9978 -31.6134 32.0988 TIMING: 3957600 CPU: 12507.5, 0.00316572/step Wall: 12507.5, 0.00316572/step, 0.916651 hours remaining, 235.652344 MB of memory in use. ENERGY: 3957600 3949.4760 20399.5960 14493.1362 246.3541 -203282.0043 2755.9661 0.0000 0.0000 51811.7222 -109625.7536 297.7627 -161437.4758 -109260.3530 298.8749 -66.9491 -27.2602 761631.4228 6.3894 6.3059 PRESSURE: 3957800 15.885 -72.1347 57.6526 -72.1335 76.9342 -346.923 57.6522 -346.923 -78.6488 GPRESSURE: 3957800 -10.9698 -0.727017 -27.1709 -45.9254 131.007 -313.516 -61.6483 -331.93 -23.0886 PRESSAVG: 3957800 -58.3264 31.4551 0.733456 31.4551 21.7173 -6.19756 0.733415 -6.19758 3.61317 GPRESSAVG: 3957800 -57.5921 31.6116 1.01085 32.3331 20.6799 -7.21282 0.986102 -8.12267 4.02574 TIMING: 3957800 CPU: 12508.1, 0.00316391/step Wall: 12508.1, 0.00316391/step, 0.915951 hours remaining, 235.652344 MB of memory in use. ENERGY: 3957800 4008.9221 20383.3481 14431.5082 227.2811 -203389.5240 2628.2900 0.0000 0.0000 52205.0722 -109505.1022 300.0233 -161710.1745 -109142.6545 298.4038 4.7235 32.3161 761347.9252 -10.9986 -10.9622 PRESSURE: 3958000 -61.9152 -216.232 163.208 -216.233 19.6795 36.4308 163.208 36.4312 103.032 GPRESSURE: 3958000 43.4859 -44.5756 186.904 -138.839 -16.9688 40.4422 205.928 -5.50342 106.594 PRESSAVG: 3958000 -68.6056 23.2996 58.785 23.2996 55.0441 -46.1462 58.785 -46.1461 -13.7954 GPRESSAVG: 3958000 -68.1714 23.3717 59.2511 23.0449 53.6767 -45.6181 58.3987 -46.7361 -13.0879 TIMING: 3958000 CPU: 12508.8, 0.00318592/step Wall: 12508.8, 0.00318592/step, 0.922148 hours remaining, 235.652344 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: 3958000 3985.8446 20520.8002 14442.2254 251.1294 -203150.9539 2687.3925 0.0000 0.0000 51903.1511 -109360.4107 298.2881 -161263.5618 -109006.3323 299.0777 20.2654 44.3704 762706.0757 -9.1190 -9.1942 PRESSURE: 3958200 41.3281 10.2631 -4.07547 10.2645 -262.849 -72.4348 -4.07537 -72.4355 -201.501 GPRESSURE: 3958200 65.1819 -12.8267 114.858 -49.3829 -287.448 61.8226 2.16196 -132.994 -134.126 PRESSAVG: 3958200 12.3251 50.9626 37.5557 50.9626 -8.40072 22.788 37.5557 22.7879 9.3082 GPRESSAVG: 3958200 11.4729 48.8403 38.1667 50.1914 -7.58747 22.4207 37.5686 26.1535 8.71154 TIMING: 3958200 CPU: 12509.4, 0.00315367/step Wall: 12509.4, 0.00315367/step, 0.912637 hours remaining, 235.652344 MB of memory in use. ENERGY: 3958200 3974.9925 20410.0058 14377.9457 272.0269 -203089.3209 2486.6386 0.0000 0.0000 52176.7047 -109391.0067 299.8602 -161567.7114 -109032.4202 298.4367 -141.0071 -118.7973 761820.9630 4.4109 4.1990 PRESSURE: 3958400 219.806 40.2661 68.074 40.2663 179.355 -184.481 68.0743 -184.481 -304.155 GPRESSURE: 3958400 251.055 91.4193 15.3858 31.6579 264.201 -119.235 68.4011 -235.237 -353.489 PRESSAVG: 3958400 -4.48023 -58.6298 46.1749 -58.6298 -21.4619 -23.6319 46.1749 -23.6318 25.3793 GPRESSAVG: 3958400 -5.37364 -57.9868 46.0538 -59.2505 -22.0637 -24.6947 44.8656 -25.4446 26.5158 TIMING: 3958400 CPU: 12510, 0.00316094/step Wall: 12510, 0.00316094/step, 0.914565 hours remaining, 235.652344 MB of memory in use. ENERGY: 3958400 4040.5895 20603.1737 14465.5864 252.5569 -202913.8579 2443.7752 0.0000 0.0000 51988.7105 -109119.4658 298.7798 -161108.1763 -108755.1671 299.4015 31.6684 53.9222 762558.4205 -0.1876 -0.3072 PRESSURE: 3958600 -51.2969 -104.305 -123.409 -104.305 -7.41851 -366.245 -123.409 -366.245 317.364 GPRESSURE: 3958600 -34.6926 -106.043 -98.039 -151.695 35.5143 -276.332 -25.7401 -363.087 322.152 PRESSAVG: 3958600 35.177 -41.0226 28.0798 -41.0226 -20.1741 32.2652 28.0798 32.2653 8.09386 GPRESSAVG: 3958600 37.1049 -39.6223 28.6316 -42.056 -19.9931 33.1568 29.9342 32.429 5.8624 TIMING: 3958600 CPU: 12510.6, 0.003167/step Wall: 12510.6, 0.003167/step, 0.916141 hours remaining, 235.652344 MB of memory in use. ENERGY: 3958600 3982.8997 20584.4498 14499.5852 253.9156 -203470.0342 2906.6463 0.0000 0.0000 52065.3141 -109177.2234 299.2201 -161242.5376 -108818.6009 299.2662 86.2161 107.6580 762106.7342 7.6989 7.6581 PRESSURE: 3958800 -57.1711 -19.9362 -49.8665 -19.9369 -96.8453 74.1152 -49.8671 74.116 -103.713 GPRESSURE: 3958800 48.9444 -38.5826 60.1673 -130.043 -191.504 51.391 -0.408807 -2.46118 -17.2604 PRESSAVG: 3958800 -15.1697 -48.4397 -1.98471 -48.4398 -8.15134 -5.21522 -1.98469 -5.21525 -10.498 GPRESSAVG: 3958800 -16.715 -49.594 -1.12802 -47.5699 -6.62661 -5.03074 -1.33035 -4.8704 -10.3997 TIMING: 3958800 CPU: 12511.3, 0.00316405/step Wall: 12511.3, 0.00316405/step, 0.915113 hours remaining, 235.652344 MB of memory in use. ENERGY: 3958800 4018.2236 20344.0914 14426.5622 242.3504 -202719.8674 2748.7123 0.0000 0.0000 51694.2793 -109245.6481 297.0877 -160939.9275 -108879.9775 299.0766 -85.9098 -53.2733 763829.0749 -11.2730 -11.2471 PRESSURE: 3959000 -393.744 -119.801 225.212 -119.801 -176.74 -189.699 225.211 -189.699 -625.191 GPRESSURE: 3959000 -324.102 -95.8019 179.889 -60.1753 -266.046 -256.398 170.145 -204.195 -503.008 PRESSAVG: 3959000 6.18435 -53.9446 -6.77364 -53.9446 -6.76692 -15.2943 -6.77366 -15.2943 2.30195 GPRESSAVG: 3959000 6.76727 -52.8018 -8.77222 -51.6578 -7.93426 -14.8033 -6.99427 -15.4736 2.85915 TIMING: 3959000 CPU: 12511.9, 0.00317417/step Wall: 12511.9, 0.00317417/step, 0.917863 hours remaining, 235.652344 MB of memory in use. ENERGY: 3959000 3947.2303 20517.8590 14491.2399 243.5261 -203010.4856 2531.2900 0.0000 0.0000 52233.9780 -109045.3623 300.1894 -161279.3403 -108678.5673 299.3019 -398.5586 -364.3854 763344.1605 0.5731 0.5641 PRESSURE: 3959200 -27.9635 116.738 -49.459 116.739 -206.968 46.9705 -49.4587 46.9704 193.623 GPRESSURE: 3959200 1.02514 69.4143 88.5004 55.3524 -93.0874 75.0881 -147.746 36.2575 161.141 PRESSAVG: 3959200 -43.3229 61.3179 75.4452 61.3179 45.9669 10.5444 75.4451 10.5444 13.1689 GPRESSAVG: 3959200 -42.6215 58.872 75.6927 59.7542 46.3527 9.60462 73.3652 10.1239 12.3709 TIMING: 3959200 CPU: 12512.5, 0.00316141/step Wall: 12512.5, 0.00316141/step, 0.914 hours remaining, 235.652344 MB of memory in use. ENERGY: 3959200 4017.0487 20352.3409 14466.3897 246.9870 -203405.0817 2852.2640 0.0000 0.0000 52257.4960 -109212.5554 300.3245 -161470.0514 -108847.8246 299.2767 -13.7694 23.0264 761371.4181 5.2710 5.3674 PRESSURE: 3959400 -226.813 158.22 -235.86 158.22 -261.677 -68.8944 -235.859 -68.8941 -210.848 GPRESSURE: 3959400 -270.345 195.241 -181.833 144.892 -198.02 -33.6796 -225.241 -89.5223 -156.876 PRESSAVG: 3959400 6.92505 23.1314 49.2331 23.1314 10.4261 -16.7332 49.2331 -16.7332 -3.99827 GPRESSAVG: 3959400 5.60417 24.3167 49.7769 23.8226 10.1612 -16.4138 50.9261 -14.3735 -2.71929 TIMING: 3959400 CPU: 12513.2, 0.00315489/step Wall: 12513.2, 0.00315489/step, 0.911939 hours remaining, 235.652344 MB of memory in use. ENERGY: 3959400 4040.5038 20516.4765 14482.0943 251.2488 -202975.5300 2511.6036 0.0000 0.0000 51860.2682 -109313.3348 298.0417 -161173.6030 -108960.6561 298.8100 -233.1127 -208.4140 762329.0935 4.4510 4.3487 PRESSURE: 3959600 38.8059 -27.4716 4.46995 -27.4718 178.795 -142.378 4.46999 -142.379 89.3117 GPRESSURE: 3959600 111.062 59.0969 -44.6361 -111.305 203.63 -90.9931 35.2826 -68.4043 82.5577 PRESSAVG: 3959600 -10.776 25.8467 19.6517 25.8467 41.7374 12.2094 19.6517 12.2094 -8.32272 GPRESSAVG: 3959600 -10.62 26.9723 19.3018 24.4432 41.6548 11.7242 16.4777 9.7036 -8.44147 TIMING: 3959600 CPU: 12513.8, 0.00315958/step Wall: 12513.8, 0.00315958/step, 0.913117 hours remaining, 235.652344 MB of memory in use. ENERGY: 3959600 3937.1297 20427.4290 14483.5127 251.8757 -203074.4390 2607.9872 0.0000 0.0000 51995.2803 -109371.2244 298.8176 -161366.5047 -109007.2633 298.5214 102.3042 132.4166 762157.5748 7.5462 7.5311 PRESSURE: 3959800 100.837 54.1471 -201.028 54.1475 -127.745 67.54 -201.029 67.5397 -380.599 GPRESSURE: 3959800 146.181 76.8668 -165.637 126.666 -144.229 -43.4962 -132.059 -95.4943 -310.63 PRESSAVG: 3959800 -14.9066 9.81206 20.9206 9.81201 -13.5948 15.3401 20.9206 15.3402 -0.777679 GPRESSAVG: 3959800 -15.911 8.60216 19.0482 12.8047 -12.9118 15.151 25.3272 12.5737 -1.00474 TIMING: 3959800 CPU: 12514.4, 0.00315154/step Wall: 12514.4, 0.00315154/step, 0.91062 hours remaining, 235.652344 MB of memory in use. ENERGY: 3959800 3948.6970 20313.8568 14500.7042 246.0701 -202684.7884 2395.6853 0.0000 0.0000 51926.0621 -109353.7129 298.4198 -161279.7750 -109001.5300 298.7717 -135.8356 -102.8928 763560.2243 -9.7597 -9.9425 PRESSURE: 3960000 -59.7225 165.116 -239.22 165.117 253.316 132.168 -239.22 132.168 410.017 GPRESSURE: 3960000 -14.0128 173.84 -268.192 220.784 219.904 113.616 -229.443 65.882 486.125 PRESSAVG: 3960000 8.94787 14.137 -15.2506 14.1369 1.13518 -7.41941 -15.2506 -7.41938 -9.21612 GPRESSAVG: 3960000 10.2473 13.1573 -12.6884 14.6289 0.104289 -7.39647 -18.6779 -5.40662 -9.28008 TIMING: 3960000 CPU: 12515.1, 0.0031569/step Wall: 12515.1, 0.0031569/step, 0.911993 hours remaining, 235.652344 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: 3960000 3997.7183 20465.6686 14503.1088 263.2917 -202866.1972 2612.3456 0.0000 0.0000 51791.1536 -109232.9105 297.6445 -161024.0641 -108866.5296 298.7697 201.2038 230.6722 762063.4802 0.2890 0.3572 PRESSURE: 3960200 -192.298 35.207 29.3294 35.2064 -303.478 -145.075 29.329 -145.074 183.454 GPRESSURE: 3960200 -130.963 -14.9146 43.0376 145.097 -296.948 -185.978 22.5774 -133.982 220.061 PRESSAVG: 3960200 42.778 37.6741 41.651 37.6742 7.11883 -34.1888 41.6509 -34.1887 -8.17802 GPRESSAVG: 3960200 42.6632 37.225 42.5638 38.3016 7.46837 -33.7306 41.9423 -32.55 -8.19208 TIMING: 3960200 CPU: 12515.7, 0.00318924/step Wall: 12515.7, 0.00318924/step, 0.92116 hours remaining, 235.652344 MB of memory in use. ENERGY: 3960200 3982.0770 20430.3755 14465.5236 262.3547 -202880.7644 2498.1328 0.0000 0.0000 51854.2227 -109388.0780 298.0069 -161242.3007 -109026.4328 298.7671 -104.1072 -69.2833 761029.9409 13.9063 13.9798 LDB: ============= START OF LOAD BALANCING ============== 12528.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12528.2 LDB: =============== DONE WITH MIGRATION ================ 12528.2 LDB: ============= START OF LOAD BALANCING ============== 12528.6 LDB: Largest compute 7066 load 0.031092 is 15.9% of average load 0.195632 LDB: Average compute 0.004382 is 2.2% of average load 0.195632 LDB: TIME 12528.6 LOAD: AVG 0.195632 MAX 0.217133 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.961 MB LDB: TIME 12528.6 LOAD: AVG 0.195632 MAX 0.217133 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: TIME 12528.6 LOAD: AVG 0.195632 MAX 0.217133 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.164 MB LDB: ============== END OF LOAD BALANCING =============== 12528.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12528.6 PRESSURE: 3960400 132.29 198.989 -5.06814 198.989 -340.667 203.843 -5.06828 203.844 -346.296 GPRESSURE: 3960400 80.8798 51.6769 6.11058 132.664 -310.288 212.395 58.7906 179.157 -249.662 PRESSAVG: 3960400 11.0868 7.99703 86.3467 7.99699 -35.368 -52.8233 86.3466 -52.8233 12.4879 GPRESSAVG: 3960400 10.4704 9.37372 85.3102 3.14802 -34.5113 -53.066 85.3918 -53.6728 12.4456 TIMING: 3960400 CPU: 12516.4, 0.00322005/step Wall: 12516.4, 0.00322005/step, 0.929878 hours remaining, 235.960938 MB of memory in use. ENERGY: 3960400 3984.9026 20215.1006 14431.6552 245.2565 -203122.6571 2656.2699 0.0000 0.0000 52152.0780 -109437.3942 299.7187 -161589.4722 -109079.4377 298.5525 -184.8911 -159.6900 763051.0318 -3.9311 -3.8651 PRESSURE: 3960600 -235.143 152.134 47.0737 152.133 -92.7214 -243.689 47.074 -243.689 -452.075 GPRESSURE: 3960600 -209.602 157.379 110.313 185.058 -46.3013 -192.268 -43.4626 -263.603 -426.92 PRESSAVG: 3960600 12.2361 -25.5056 57.4446 -25.5055 6.51388 5.00403 57.4446 5.00406 -10.3496 GPRESSAVG: 3960600 13.2995 -26.3561 55.6838 -24.3472 6.0509 4.74173 59.9485 5.75543 -10.9215 TIMING: 3960600 CPU: 12517, 0.00316581/step Wall: 12517, 0.00316581/step, 0.914041 hours remaining, 236.050781 MB of memory in use. ENERGY: 3960600 3966.6703 20431.3733 14570.4874 246.5293 -202675.7477 2490.4996 0.0000 0.0000 51749.9584 -109220.2294 297.4077 -160970.1878 -108859.6248 298.7375 -259.9798 -227.6080 763949.6756 2.8001 2.8096 PRESSURE: 3960800 0.796371 -95.1367 125.676 -95.1369 -137.675 34.1252 125.676 34.1256 190.752 GPRESSURE: 3960800 -21.5437 -102.645 136.242 -30.1377 -17.6529 162.468 43.0675 -7.39222 188.155 PRESSAVG: 3960800 31.4472 -34.2731 43.5261 -34.2732 -20.6836 2.00804 43.5261 2.00802 26.1245 GPRESSAVG: 3960800 31.584 -34.9064 43.5381 -32.1444 -20.6887 1.83793 43.5022 3.81383 26.309 TIMING: 3960800 CPU: 12517.6, 0.00317126/step Wall: 12517.6, 0.00317126/step, 0.915437 hours remaining, 236.050781 MB of memory in use. ENERGY: 3960800 4047.9334 20482.1588 14503.0684 222.8456 -203103.0120 2680.6847 0.0000 0.0000 51908.0839 -109258.2373 298.3165 -161166.3212 -108902.7945 299.1277 17.9579 49.6528 763533.7578 12.2960 12.4014 PRESSURE: 3961000 -136.809 82.2594 58.92 82.2592 -78.3022 253.618 58.9199 253.618 -13.3897 GPRESSURE: 3961000 -176.605 84.7007 99.8156 40.3056 37.0747 328.885 -24.9994 -12.0855 -14.3331 PRESSAVG: 3961000 -12.0713 -5.33246 45.4672 -5.33244 -20.0005 21.0385 45.4672 21.0385 -6.64802 GPRESSAVG: 3961000 -13.9369 -3.31169 46.7094 -8.00307 -19.8893 21.6832 43.2862 19.0206 -5.11454 TIMING: 3961000 CPU: 12518.3, 0.00317504/step Wall: 12518.3, 0.00317504/step, 0.916351 hours remaining, 236.050781 MB of memory in use. ENERGY: 3961000 3957.8156 20523.2806 14464.2349 228.3727 -203336.3373 2679.3887 0.0000 0.0000 51935.1856 -109548.0592 298.4722 -161483.2448 -109177.8052 298.4675 -76.1669 -51.2878 764789.8526 -12.9066 -12.9802 PRESSURE: 3961200 -75.8345 -22.1653 -43.9663 -22.1656 60.1204 11.0774 -43.9651 11.0787 68.8372 GPRESSURE: 3961200 34.5059 -0.45202 -49.1092 107.025 50.1515 -33.3144 -75.7835 -35.0707 63.6649 PRESSAVG: 3961200 -28.3845 34.5861 -1.35596 34.5861 3.89828 14.0411 -1.35595 14.041 16.2593 GPRESSAVG: 3961200 -27.2276 34.7353 -2.09596 34.7339 2.67513 13.3037 0.921671 12.8249 16.4472 TIMING: 3961200 CPU: 12518.9, 0.00314177/step Wall: 12518.9, 0.00314177/step, 0.906575 hours remaining, 236.253906 MB of memory in use. ENERGY: 3961200 3933.2220 20340.3854 14546.3742 223.0560 -203271.7722 2819.6145 0.0000 0.0000 52074.9128 -109334.2072 299.2752 -161409.1200 -108971.5269 298.2570 17.7077 49.4408 762977.8942 -2.7423 -2.7018 PRESSURE: 3961400 17.7409 -270.337 24.3392 -270.336 224.449 -128.374 24.3388 -128.373 -279.071 GPRESSURE: 3961400 95.683 -224.971 26.244 -326.116 245.321 -148.302 -28.1273 25.4498 -287.926 PRESSAVG: 3961400 -73.9747 -9.32026 -26.4671 -9.32025 38.1114 14.7668 -26.4671 14.7668 -10.7535 GPRESSAVG: 3961400 -73.3667 -9.65067 -26.1432 -10.5446 38.8298 15.852 -28.5973 15.1017 -12.1019 TIMING: 3961400 CPU: 12519.5, 0.00316534/step Wall: 12519.5, 0.00316534/step, 0.9132 hours remaining, 236.253906 MB of memory in use. ENERGY: 3961400 3964.4547 20563.2104 14481.1958 268.9389 -203163.5816 2690.3879 0.0000 0.0000 52010.2538 -109185.1402 298.9036 -161195.3940 -108832.2744 299.1463 -12.2935 17.6927 762448.4643 -15.5390 -15.5462 PRESSURE: 3961600 78.4325 129.683 -145.219 129.682 -160.643 -61.8208 -145.22 -61.8208 90.5315 GPRESSURE: 3961600 20.0372 113.402 -55.6997 -23.3774 -104.352 -53.3167 -108.363 -160.772 176.443 PRESSAVG: 3961600 -5.28736 5.38126 -10.0674 5.38121 19.3884 -60.8267 -10.0674 -60.8267 -2.35457 GPRESSAVG: 3961600 -5.30705 2.34398 -10.8598 5.69742 19.9573 -61.2556 -8.90645 -59.2364 -2.99075 TIMING: 3961600 CPU: 12520.1, 0.00316243/step Wall: 12520.1, 0.00316243/step, 0.912186 hours remaining, 236.253906 MB of memory in use. ENERGY: 3961600 3862.7806 20389.6026 14472.8176 244.2913 -202807.9275 2455.1036 0.0000 0.0000 52299.3117 -109084.0201 300.5649 -161383.3319 -108719.0511 299.2603 2.7737 30.7095 763481.9451 3.9155 3.8865 PRESSURE: 3961800 7.71915 38.9367 -217.595 38.9362 90.6711 68.6929 -217.595 68.6918 425.193 GPRESSURE: 3961800 53.4361 -15.6636 -186.675 -40.9626 163.396 79.6546 -91.9479 155.421 395.432 PRESSAVG: 3961800 -23.84 45.6205 1.01325 45.6205 73.5114 52.8727 1.01327 52.8726 -3.40446 GPRESSAVG: 3961800 -24.694 47.794 1.74603 45.6223 73.4167 52.848 -0.677826 53.3192 -2.41445 TIMING: 3961800 CPU: 12520.8, 0.0031673/step Wall: 12520.8, 0.0031673/step, 0.913415 hours remaining, 236.253906 MB of memory in use. ENERGY: 3961800 3959.9728 20590.1668 14489.8303 246.5680 -203096.5477 2812.0954 0.0000 0.0000 52062.8077 -108935.1066 299.2057 -160997.9144 -108573.9253 299.2489 174.5277 204.0882 761597.8957 15.4223 15.4361 PRESSURE: 3962000 73.4033 -32.8347 -172.402 -32.8346 47.2032 -19.2807 -172.403 -19.2807 -400.387 GPRESSURE: 3962000 84.5666 -105.845 -109.657 -105.023 48.2756 -52.2124 -74.3163 -4.03521 -335.408 PRESSAVG: 3962000 -46.9319 -44.5825 -17.0517 -44.5825 54.2049 21.8326 -17.0517 21.8327 0.706876 GPRESSAVG: 3962000 -45.431 -45.0445 -15.8146 -45.9354 54.5856 22.3537 -15.8306 19.4573 -0.838181 TIMING: 3962000 CPU: 12521.4, 0.00314499/step Wall: 12521.4, 0.00314499/step, 0.906807 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: 3962000 3954.2279 20548.7809 14482.9074 246.1053 -202705.1756 2454.8295 0.0000 0.0000 52144.1970 -108874.1277 299.6734 -161018.3246 -108509.8442 299.5342 -93.2602 -67.5219 761351.3588 2.6600 2.7721 PRESSURE: 3962200 -109.727 -74.922 -414.368 -74.9216 100.779 41.8995 -414.368 41.9008 -98.5053 GPRESSURE: 3962200 -88.5096 -69.4056 -367.979 20.451 171.571 -56.0259 -258.829 118.794 -112.789 PRESSAVG: 3962200 13.0605 20.5005 -8.7932 20.5004 5.97561 49.8334 -8.79321 49.8334 37.4356 GPRESSAVG: 3962200 11.6584 19.6107 -8.06776 21.9705 6.38589 50.0993 -9.05518 51.8623 38.3984 TIMING: 3962200 CPU: 12522, 0.00315634/step Wall: 12522, 0.00315634/step, 0.909903 hours remaining, 236.457031 MB of memory in use. ENERGY: 3962200 4069.9808 20502.7366 14476.8176 244.1198 -203214.9881 2705.3613 0.0000 0.0000 52191.6384 -109024.3337 299.9461 -161215.9721 -108660.6620 299.5890 -35.8177 -9.9092 762460.8617 18.8239 18.8142 PRESSURE: 3962400 -392.471 -29.3669 -57.2246 -29.3664 -288.927 -79.5805 -57.2243 -79.5808 -455.62 GPRESSURE: 3962400 -334.624 83.6309 -100.473 56.1558 -292.645 14.3062 -80.3893 -7.57616 -411.601 PRESSAVG: 3962400 -70.5653 49.2381 -41.5725 49.2382 33.1482 -31.3592 -41.5725 -31.3593 -12.157 GPRESSAVG: 3962400 -72.1154 52.6147 -44.0794 48.3622 33.0693 -31.7136 -42.6895 -31.731 -11.1005 TIMING: 3962400 CPU: 12522.7, 0.0031525/step Wall: 12522.7, 0.0031525/step, 0.908621 hours remaining, 236.457031 MB of memory in use. ENERGY: 3962400 4044.6408 20446.3542 14514.2860 235.7198 -202749.1571 2601.7732 0.0000 0.0000 52029.8385 -108876.5445 299.0162 -160906.3830 -108518.8728 300.0953 -379.0060 -346.2902 763595.6639 -16.5247 -16.7156 PRESSURE: 3962600 -245.717 40.3441 44.9607 40.3444 167.117 151.791 44.9614 151.791 308.677 GPRESSURE: 3962600 -75.6829 160.686 6.10817 -142.216 152.742 208.019 56.3427 60.3549 229.726 PRESSAVG: 3962600 2.43141 48.9662 -28.8681 48.9663 15.8984 -4.06792 -28.8681 -4.0679 1.9735 GPRESSAVG: 3962600 3.68021 46.6561 -28.7422 49.5881 16.9053 -5.69856 -29.1745 -4.03747 -0.0936547 TIMING: 3962600 CPU: 12523.3, 0.00314712/step Wall: 12523.3, 0.00314712/step, 0.906895 hours remaining, 236.457031 MB of memory in use. ENERGY: 3962600 4032.4932 20633.0295 14555.9355 269.6220 -203394.4566 2926.0995 0.0000 0.0000 52213.5086 -108763.7683 300.0718 -160977.2769 -108395.1188 299.9210 76.6923 102.2616 761067.7225 6.7678 6.8306 PRESSURE: 3962800 19.7811 -0.455891 -52.6384 -0.455393 20.2387 -131.773 -52.6379 -131.774 -133.356 GPRESSURE: 3962800 62.8878 -67.0818 -75.4516 15.2201 11.6542 -24.5503 140.666 -199.854 -87.1274 PRESSAVG: 3962800 10.5016 8.74763 -30.6453 8.74761 25.6757 -19.5978 -30.6453 -19.5978 -8.29161 GPRESSAVG: 3962800 10.4383 6.99155 -30.2774 9.90864 24.7484 -17.3062 -30.2011 -20.2248 -7.21283 TIMING: 3962800 CPU: 12523.9, 0.00314972/step Wall: 12523.9, 0.00314972/step, 0.907469 hours remaining, 236.457031 MB of memory in use. ENERGY: 3962800 4037.2472 20569.9822 14471.2499 270.0077 -203159.4354 2760.5477 0.0000 0.0000 52280.1863 -108770.2144 300.4549 -161050.4007 -108403.0167 300.2405 -31.1121 -4.1951 762560.0170 9.2952 9.3246 PRESSURE: 3963000 68.2723 98.5188 131.046 98.5186 -313.642 49.455 131.047 49.4555 28.4921 GPRESSURE: 3963000 126.784 94.0964 83.3198 29.1303 -318.883 25.502 30.3163 160.416 45.2865 PRESSAVG: 3963000 -7.32819 -4.2211 -26.873 -4.22116 -39.9353 -41.6049 -26.8731 -41.6049 -4.42056 GPRESSAVG: 3963000 -6.93786 -3.00406 -27.7685 -5.90136 -39.9721 -44.731 -25.6085 -41.2202 -4.20044 TIMING: 3963000 CPU: 12524.6, 0.00315657/step Wall: 12524.6, 0.00315657/step, 0.909266 hours remaining, 236.457031 MB of memory in use. ENERGY: 3963000 3982.0583 20563.3873 14479.5481 252.0373 -202918.3883 2557.3110 0.0000 0.0000 52197.1105 -108886.9357 299.9775 -161084.0463 -108527.8179 300.0428 -72.2924 -48.9374 764373.7238 -17.2280 -17.0368 PRESSURE: 3963200 -210.955 -124.149 -36.6212 -124.149 -411.086 126.623 -36.6215 126.624 28.7997 GPRESSURE: 3963200 -156.654 -33.4312 -106.919 -97.5947 -387.378 26.114 41.4514 102.559 12.0923 PRESSAVG: 3963200 -4.83437 40.3744 -6.57215 40.3744 -6.08059 30.6348 -6.57211 30.6348 -8.63702 GPRESSAVG: 3963200 -4.42934 42.117 -5.09699 41.3323 -6.22293 30.12 -8.06878 32.8797 -9.30182 TIMING: 3963200 CPU: 12525.2, 0.00315389/step Wall: 12525.2, 0.00315389/step, 0.90832 hours remaining, 236.457031 MB of memory in use. ENERGY: 3963200 4039.7405 20627.1013 14486.5918 257.7780 -202816.8219 2147.9900 0.0000 0.0000 52210.3689 -109047.2513 300.0537 -161257.6203 -108682.3518 299.5623 -197.7471 -177.3133 763215.6990 -6.5173 -6.6514 PRESSURE: 3963400 36.9317 13.8222 -46.1077 13.8224 -95.462 -16.3882 -46.1086 -16.3893 1.89621 GPRESSURE: 3963400 73.428 6.69028 1.44411 -75.585 -46.2785 -55.4827 -27.3901 -13.5643 11.3301 PRESSAVG: 3963400 9.59293 13.9248 -2.67464 13.9247 -33.6836 -27.5161 -2.67465 -27.5162 -30.3045 GPRESSAVG: 3963400 9.67612 11.3457 -1.61561 13.6214 -33.7543 -26.6938 -4.37548 -30.2316 -29.8795 TIMING: 3963400 CPU: 12525.8, 0.00315373/step Wall: 12525.8, 0.00315373/step, 0.908098 hours remaining, 236.457031 MB of memory in use. ENERGY: 3963400 4005.7162 20663.3815 14520.5207 248.9208 -202988.8240 2581.3085 0.0000 0.0000 51931.6995 -109037.2770 298.4522 -160968.9765 -108675.5411 299.8334 -18.8780 12.8265 763582.1714 -18.1317 -17.9859 PRESSURE: 3963600 59.2143 -217.084 121.26 -217.083 -141.503 -39.0952 121.26 -39.0949 -35.9425 GPRESSURE: 3963600 15.001 -158.938 54.8156 -256.989 -76.1817 -4.84648 124.876 25.4891 38.8903 PRESSAVG: 3963600 -31.8597 -8.30612 -19.0408 -8.3061 9.98615 -0.52203 -19.0409 -0.521952 7.45834 GPRESSAVG: 3963600 -31.507 -6.56331 -22.3165 -7.61424 11.041 -0.0283314 -16.4662 0.168208 6.52747 TIMING: 3963600 CPU: 12526.5, 0.0031582/step Wall: 12526.5, 0.0031582/step, 0.909211 hours remaining, 236.457031 MB of memory in use. ENERGY: 3963600 3957.7865 20472.7034 14539.2714 252.6308 -203426.0231 2800.6162 0.0000 0.0000 52271.5653 -109131.4496 300.4054 -161403.0148 -108769.4977 299.6719 -39.4104 -7.4301 760811.7308 -4.8051 -4.6462 PRESSURE: 3963800 -336.984 -106.266 -57.481 -106.267 113.119 48.1578 -57.4818 48.1575 84.8504 GPRESSURE: 3963800 -200.333 -7.70541 -157.929 56.1643 59.3965 49.6799 167.611 12.6673 67.6077 PRESSAVG: 3963800 -46.0418 36.7495 14.4579 36.7495 31.2324 -7.53609 14.4578 -7.5361 -3.48571 GPRESSAVG: 3963800 -47.3336 35.701 15.5041 35.073 31.2859 -7.06323 13.6824 -9.04721 -2.81753 TIMING: 3963800 CPU: 12527.1, 0.00316924/step Wall: 12527.1, 0.00316924/step, 0.912212 hours remaining, 236.457031 MB of memory in use. ENERGY: 3963800 3989.8463 20737.2516 14454.1877 242.0969 -203109.4851 2563.0933 0.0000 0.0000 52128.2090 -108994.8003 299.5815 -161123.0093 -108633.1795 299.8895 -46.3383 -24.4428 761357.3746 -6.0984 -6.2884 PRESSURE: 3964000 -371.462 -102.455 250.778 -102.455 69.0499 53.1183 250.778 53.1179 21.5743 GPRESSURE: 3964000 -277.205 -39.6821 171.823 -97.4082 45.5016 150.232 223.325 6.9803 12.2885 PRESSAVG: 3964000 -46.4009 -9.50013 -3.81192 -9.5001 49.791 -29.2213 -3.81188 -29.2213 17.0751 GPRESSAVG: 3964000 -44.1325 -10.7251 -3.74841 -8.11789 48.2006 -28.1336 -3.90659 -29.2132 16.9679 TIMING: 3964000 CPU: 12527.7, 0.00316744/step Wall: 12527.7, 0.00316744/step, 0.911519 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: 3964000 3946.5843 20460.7196 14486.4339 258.8750 -203536.2250 2691.2161 0.0000 0.0000 52381.3376 -109311.0585 301.0363 -161692.3960 -108943.3176 300.2704 -93.6125 -73.1382 759825.0802 6.8217 7.0120 PRESSURE: 3964200 -108.671 -66.7241 -27.7397 -66.7239 -55.2717 -246.048 -27.7394 -246.047 18.1082 GPRESSURE: 3964200 -125.359 -155.799 -25.405 -2.91438 29.0574 -139.427 -107.496 -269.916 44.9443 PRESSAVG: 3964200 -60.0992 8.30865 3.52124 8.30864 31.4541 55.2787 3.52121 55.2787 -11.6587 GPRESSAVG: 3964200 -62.2805 8.48927 3.75937 8.79243 32.817 55.7642 1.80629 54.839 -10.4206 TIMING: 3964200 CPU: 12528.4, 0.00313279/step Wall: 12528.4, 0.00313279/step, 0.901374 hours remaining, 236.457031 MB of memory in use. ENERGY: 3964200 4011.1085 20496.1392 14506.0933 263.4414 -203417.3530 2736.0062 0.0000 0.0000 52112.7400 -109291.8244 299.4926 -161404.5645 -108930.3787 299.4070 -48.6114 -17.1190 761734.9314 -13.4346 -13.2947 LDB: ============= START OF LOAD BALANCING ============== 12540.9 LDB: ============== END OF LOAD BALANCING =============== 12540.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12540.9 LDB: ============= START OF LOAD BALANCING ============== 12541.2 LDB: Largest compute 7075 load 0.031859 is 16.3% of average load 0.195583 LDB: Average compute 0.004366 is 2.2% of average load 0.195583 LDB: TIME 12541.2 LOAD: AVG 0.195583 MAX 0.217798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 12541.2 LOAD: AVG 0.195583 MAX 0.217798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: TIME 12541.2 LOAD: AVG 0.195583 MAX 0.217798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: ============== END OF LOAD BALANCING =============== 12541.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12541.2 PRESSURE: 3964400 -239.457 255.578 19.0461 255.577 91.9135 102.386 19.045 102.386 -117.384 GPRESSURE: 3964400 -91.3655 246.283 75.9561 108.627 73.5151 166.877 49.5659 84.6288 -172.633 PRESSAVG: 3964400 -2.15282 18.5225 41.3673 18.5225 21.8829 10.8316 41.3674 10.8316 13.1604 GPRESSAVG: 3964400 -0.434004 18.5486 40.1042 18.0326 20.9663 10.1849 43.7104 10.6245 12.0975 TIMING: 3964400 CPU: 12529, 0.00324448/step Wall: 12529, 0.00324448/step, 0.933328 hours remaining, 234.882812 MB of memory in use. ENERGY: 3964400 3957.0733 20493.0670 14544.2669 248.8337 -203022.6590 2402.5283 0.0000 0.0000 52156.4924 -109220.3974 299.7441 -161376.8898 -108868.6175 298.9082 -88.3091 -63.4943 761069.6315 10.9635 10.8766 PRESSURE: 3964600 -193.149 -1.36214 -71.8176 -1.36264 85.4353 87.794 -71.8181 87.7947 -299.787 GPRESSURE: 3964600 -161.29 11.6431 -43.7733 -31.0702 85.185 78.8767 -110.678 50.0541 -259.99 PRESSAVG: 3964600 15.3517 36.7452 -8.15132 36.7452 8.80859 8.37101 -8.15131 8.37101 15.3327 GPRESSAVG: 3964600 15.1665 35.1885 -7.92678 37.6311 8.90447 7.91125 -7.73635 9.00429 15.8708 TIMING: 3964600 CPU: 12529.6, 0.00316729/step Wall: 12529.6, 0.00316729/step, 0.910948 hours remaining, 234.882812 MB of memory in use. ENERGY: 3964600 3963.4591 20550.7823 14466.2263 232.3866 -203207.2683 2385.4265 0.0000 0.0000 52181.4098 -109427.5776 299.8873 -161608.9874 -109070.1039 298.9872 -135.8336 -112.0314 762046.6054 13.1643 13.3139 PRESSURE: 3964800 -317.985 128.938 44.5195 128.938 -242.903 -97.6282 44.5193 -97.6279 -22.0937 GPRESSURE: 3964800 -290.634 159.361 3.03605 94.5968 -163.11 -91.0258 -6.58917 -44.6608 -53.8113 PRESSAVG: 3964800 42.6136 23.7937 39.5074 23.7936 -11.982 19.7057 39.5074 19.7057 -4.27507 GPRESSAVG: 3964800 43.146 24.8906 39.9694 24.2932 -12.4573 18.6779 38.5516 19.8196 -3.88338 TIMING: 3964800 CPU: 12530.3, 0.00314807/step Wall: 12530.3, 0.00314807/step, 0.905245 hours remaining, 234.882812 MB of memory in use. ENERGY: 3964800 3984.4462 20490.4354 14448.6351 239.9194 -203041.1418 2569.3211 0.0000 0.0000 51843.1388 -109465.2457 297.9432 -161308.3845 -109110.5414 298.9239 -194.3273 -169.1850 762936.9730 8.7855 8.9351 PRESSURE: 3965000 249.435 -271.86 -9.33257 -271.861 204.702 -68.17 -9.33277 -68.1698 185.011 GPRESSURE: 3965000 202.091 -237.819 8.79036 -236.307 263.015 -109.496 -14.8465 -54.9508 240.986 PRESSAVG: 3965000 9.00964 10.7854 -7.31291 10.7853 -26.7882 -12.817 -7.31298 -12.817 -8.11855 GPRESSAVG: 3965000 8.07073 10.2612 -5.91532 11.5763 -24.8529 -12.5489 -7.74638 -14.5956 -8.19921 TIMING: 3965000 CPU: 12530.9, 0.00313726/step Wall: 12530.9, 0.00313726/step, 0.901963 hours remaining, 234.882812 MB of memory in use. ENERGY: 3965000 3924.4657 20481.0260 14504.8012 227.9781 -203141.7222 2580.0497 0.0000 0.0000 51965.1381 -109458.2633 298.6444 -161423.4014 -109094.0783 298.5847 213.0492 235.3640 760643.7504 -8.6324 -8.3271 PRESSURE: 3965200 86.4461 -77.8203 45.3669 -77.8204 133.844 -35.0049 45.3671 -35.0049 462.617 GPRESSURE: 3965200 135.927 -119.107 67.7657 -189.117 183.355 7.42887 -58.3045 -14.1891 423.363 PRESSAVG: 3965200 33.796 62.5419 -17.2645 62.5418 -37.1659 -20.2785 -17.2645 -20.2785 4.96883 GPRESSAVG: 3965200 34.3675 62.31 -19.1 59.788 -37.6968 -18.9018 -14.6757 -19.6682 5.24166 TIMING: 3965200 CPU: 12531.5, 0.00314076/step Wall: 12531.5, 0.00314076/step, 0.902794 hours remaining, 234.882812 MB of memory in use. ENERGY: 3965200 4022.9307 20446.5212 14468.8678 267.2086 -203461.6920 2792.5918 0.0000 0.0000 52007.7108 -109455.8610 298.8890 -161463.5718 -109084.4544 299.1035 227.6357 247.5484 759893.3930 0.5330 0.6374 PRESSURE: 3965400 95.3803 -91.1552 -89.1933 -91.1549 -111.171 -94.4977 -89.1945 -94.4968 105.051 GPRESSURE: 3965400 122.717 15.3099 -67.6436 -147.853 -60.9398 -68.0373 -66.1099 -29.3087 126.444 PRESSAVG: 3965400 14.2014 -5.0776 4.78322 -5.07763 -26.7863 -15.3897 4.78319 -15.3897 -20.5161 GPRESSAVG: 3965400 12.724 -3.63726 4.8228 -5.20074 -26.114 -15.9604 4.46843 -14.9776 -20.4075 TIMING: 3965400 CPU: 12532.1, 0.00313525/step Wall: 12532.1, 0.00313525/step, 0.901035 hours remaining, 234.871094 MB of memory in use. ENERGY: 3965400 3939.9068 20483.6239 14555.5829 259.7905 -203162.6359 2530.0070 0.0000 0.0000 51997.3069 -109396.4180 298.8292 -161393.7249 -109036.2607 298.8723 29.7534 62.7404 761596.5535 -11.0337 -11.2658 PRESSURE: 3965600 -252.256 154.944 223.626 154.943 -181.387 -83.5443 223.626 -83.5442 -261.265 GPRESSURE: 3965600 -183.63 110.296 265.636 143.975 -134.958 -117.138 121.508 8.61541 -285.229 PRESSAVG: 3965600 -63.6846 40.7386 -3.9978 40.7386 0.450374 -25.0627 -3.99773 -25.0628 -0.738165 GPRESSAVG: 3965600 -61.6849 40.0256 -2.92552 39.0771 -0.322687 -24.4153 -7.00507 -26.7936 -1.50132 TIMING: 3965600 CPU: 12532.8, 0.00313842/step Wall: 12532.8, 0.00313842/step, 0.901773 hours remaining, 234.871094 MB of memory in use. ENERGY: 3965600 4065.3073 20509.0895 14504.6889 256.7601 -202561.9194 2294.0277 0.0000 0.0000 51838.6081 -109093.4379 297.9172 -160932.0460 -108728.3398 299.7380 -231.6360 -201.2722 762596.2188 -21.3241 -21.1696 PRESSURE: 3965800 -16.1345 -182.866 8.09775 -182.867 32.2334 -8.05952 8.09846 -8.06017 106.866 GPRESSURE: 3965800 -2.64907 -149.059 -42.8825 -217.603 92.005 -10.8201 1.62844 -14.3316 102.158 PRESSAVG: 3965800 -2.60018 33.2759 -22.9241 33.2758 11.3134 -41.9022 -22.9241 -41.9022 9.97992 GPRESSAVG: 3965800 -5.41783 33.5898 -25.006 34.9037 12.7406 -42.0798 -21.0959 -41.2479 11.1834 TIMING: 3965800 CPU: 12533.4, 0.0031482/step Wall: 12533.4, 0.0031482/step, 0.904407 hours remaining, 234.871094 MB of memory in use. ENERGY: 3965800 3973.5495 20487.9491 14429.9025 236.6193 -203260.7602 2752.3467 0.0000 0.0000 52022.3550 -109358.0380 298.9732 -161380.3931 -108998.5184 299.7559 40.9883 63.8378 760976.4074 6.2310 6.1687 PRESSURE: 3966000 -224.843 210.555 -144.964 210.554 4.61526 157.335 -144.964 157.334 418.745 GPRESSURE: 3966000 -141.181 130.722 -108.872 33.0613 27.0253 127.585 -101.849 196.928 411.84 PRESSAVG: 3966000 25.6146 3.69964 23.6039 3.69964 43.8052 -16.1035 23.6039 -16.1034 7.66589 GPRESSAVG: 3966000 27.4718 4.57931 24.9632 2.10316 42.6085 -15.7752 24.8918 -14.2619 7.01208 TIMING: 3966000 CPU: 12534, 0.00315833/step Wall: 12534, 0.00315833/step, 0.907143 hours remaining, 234.871094 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: 3966000 3967.6016 20494.8082 14465.4981 229.2063 -203170.3577 2508.6989 0.0000 0.0000 52038.0384 -109466.5062 299.0633 -161504.5447 -109110.8348 299.3197 66.1724 99.2280 759567.3901 25.6953 25.6975 PRESSURE: 3966200 -140.289 59.1397 158.089 59.1396 -245.803 -47.3295 158.088 -47.3298 -63.2407 GPRESSURE: 3966200 -146.559 113.519 181.976 74.2215 -149.943 -25.119 108.82 -103.044 -50.7459 PRESSAVG: 3966200 -44.5274 16.7925 -9.76018 16.7925 16.6709 15.6615 -9.7602 15.6615 -12.0505 GPRESSAVG: 3966200 -45.7491 16.2574 -8.60987 18.6565 17.4872 15.9968 -10.7513 13.2554 -11.479 TIMING: 3966200 CPU: 12534.7, 0.00314487/step Wall: 12534.7, 0.00314487/step, 0.903103 hours remaining, 234.871094 MB of memory in use. ENERGY: 3966200 4001.4241 20238.4998 14474.9120 239.1013 -203507.7829 2829.5786 0.0000 0.0000 52095.7401 -109628.5270 299.3949 -161724.2670 -109269.9987 299.0030 -149.7776 -115.7493 759291.4602 -13.3023 -13.2470 PRESSURE: 3966400 -27.0433 22.8706 -133.564 22.8708 -188.28 -213.663 -133.563 -213.663 -109.463 GPRESSURE: 3966400 -99.1959 -11.6457 -60.3404 -56.8166 -58.8488 -131.142 1.17572 -100.069 -66.0285 PRESSAVG: 3966400 16.2925 32.2854 -14.486 32.2854 17.2944 0.544125 -14.4859 0.54409 -5.49015 GPRESSAVG: 3966400 16.6566 33.811 -14.6446 30.8344 17.778 -0.163041 -13.6049 1.18629 -5.95174 TIMING: 3966400 CPU: 12535.3, 0.00316659/step Wall: 12535.3, 0.00316659/step, 0.909164 hours remaining, 234.871094 MB of memory in use. ENERGY: 3966400 4029.0199 20494.4588 14453.5365 259.1491 -203293.6811 2462.3507 0.0000 0.0000 51792.4676 -109802.6984 297.6520 -161595.1660 -109435.8349 298.7262 -108.2619 -74.6911 761250.5390 9.3656 9.4943 PRESSURE: 3966600 15.1693 128.221 -96.1743 128.22 -139.195 -161.985 -96.1742 -161.985 -90.4076 GPRESSURE: 3966600 150.574 212.638 -195.321 123.457 -194.677 -79.8224 -56.8912 -133.229 -92.3149 PRESSAVG: 3966600 39.8311 52.4143 -46.3826 52.4142 -47.0311 -29.1532 -46.3826 -29.1533 -9.4826 GPRESSAVG: 3966600 40.1089 51.1618 -47.4691 53.0984 -47.9989 -28.7905 -44.7662 -26.5743 -8.11026 TIMING: 3966600 CPU: 12535.9, 0.00319092/step Wall: 12535.9, 0.00319092/step, 0.91597 hours remaining, 234.871094 MB of memory in use. ENERGY: 3966600 3940.7532 20362.8482 14416.0618 242.3982 -203525.1983 2706.8376 0.0000 0.0000 51920.1117 -109936.1875 298.3856 -161856.2992 -109565.1408 298.5323 -71.4779 -45.4728 762083.0115 -5.5609 -5.3334 PRESSURE: 3966800 20.8173 201.024 -458.116 201.025 -148.523 218.458 -458.115 218.459 322.155 GPRESSURE: 3966800 125.015 268.768 -419.427 132.965 -66.5491 163.161 -417.797 158.792 226.384 PRESSAVG: 3966800 10.2224 11.5514 -48.089 11.5515 -10.7494 -9.44272 -48.0889 -9.44271 -0.884768 GPRESSAVG: 3966800 10.4548 12.7791 -47.8921 13.057 -9.66365 -11.2034 -49.852 -9.66575 -2.14658 TIMING: 3966800 CPU: 12536.6, 0.00317482/step Wall: 12536.6, 0.00317482/step, 0.911174 hours remaining, 234.871094 MB of memory in use. ENERGY: 3966800 3973.9970 20387.6341 14416.8596 260.4804 -203493.2572 2574.2074 0.0000 0.0000 51769.7753 -110110.3034 297.5216 -161880.0787 -109752.2894 298.1851 64.8164 94.9498 760962.1754 -0.4706 -0.4518 PRESSURE: 3967000 366.984 50.7787 -172.76 50.7793 57.483 143.971 -172.761 143.971 201.428 GPRESSURE: 3967000 380.448 97.4964 -111.115 58.1708 117.556 143.013 -162.36 107.359 206.158 PRESSAVG: 3967000 4.86945 76.6924 -37.6098 76.6923 8.29618 -14.3127 -37.6097 -14.3127 3.09565 GPRESSAVG: 3967000 5.34004 74.1432 -37.5344 76.191 8.0225 -12.494 -38.6132 -15.4553 3.26599 TIMING: 3967000 CPU: 12537.2, 0.00317609/step Wall: 12537.2, 0.00317609/step, 0.911362 hours remaining, 234.882812 MB of memory in use. ENERGY: 3967000 4004.3570 20460.3426 14451.5468 225.1935 -203923.9351 2951.2376 0.0000 0.0000 51874.4261 -109956.8315 298.1230 -161831.2576 -109595.9335 297.7153 208.6318 234.7208 759798.1669 5.4204 5.5428 PRESSURE: 3967200 -8.81443 106.667 45.3995 106.668 -90.3236 80.2918 45.3999 80.2919 -278.491 GPRESSURE: 3967200 31.5524 57.1181 158.129 139.04 -89.9043 -84.732 139.013 84.4933 -247.963 PRESSAVG: 3967200 -34.319 9.82803 -52.3037 9.82805 11.3934 -49.0067 -52.3037 -49.0066 -10.1463 GPRESSAVG: 3967200 -34.1131 10.2416 -52.017 9.59781 10.3322 -51.329 -51.0707 -49.6682 -9.78432 TIMING: 3967200 CPU: 12537.8, 0.00317286/step Wall: 12537.8, 0.00317286/step, 0.910259 hours remaining, 234.882812 MB of memory in use. ENERGY: 3967200 3998.2536 20428.8476 14468.6809 253.6687 -203797.9984 2563.3256 0.0000 0.0000 51787.6703 -110297.5517 297.6245 -162085.2219 -109941.3628 297.5527 -125.8762 -102.1049 762551.6989 -11.0239 -11.1884 PRESSURE: 3967400 30.1466 -61.8283 53.3891 -61.8285 -97.5656 -75.0863 53.3885 -75.0868 -272.088 GPRESSURE: 3967400 153.164 -45.1075 32.9426 12.5488 -46.3818 45.1071 111.66 12.4983 -342.905 PRESSAVG: 3967400 -3.36464 26.1132 -45.0893 26.1132 -29.0474 22.6588 -45.0894 22.6588 -12.0619 GPRESSAVG: 3967400 -3.87687 27.6305 -44.4435 25.6841 -29.2041 25.3178 -45.4949 23.8454 -11.1157 TIMING: 3967400 CPU: 12538.5, 0.00317162/step Wall: 12538.5, 0.00317162/step, 0.909727 hours remaining, 234.882812 MB of memory in use. ENERGY: 3967400 3896.8274 20451.5815 14557.2911 247.7946 -203736.0342 2552.8759 0.0000 0.0000 51710.4929 -110319.1708 297.1809 -162029.6637 -109955.8232 297.2960 -113.1691 -78.7076 761328.4112 -14.8246 -14.7322 PRESSURE: 3967600 15.6397 235.988 -276.013 235.989 92.8387 -112.809 -276.014 -112.809 169.973 GPRESSURE: 3967600 133.773 316.033 -209.633 237.3 85.6512 -147.366 -185.589 -21.7479 145.009 PRESSAVG: 3967600 42.4237 -10.0824 13.4633 -10.0824 -23.0478 -25.6984 13.4634 -25.6984 23.8879 GPRESSAVG: 3967600 42.6917 -10.3668 12.6331 -8.76303 -20.8382 -26.3689 12.9529 -26.697 22.3262 TIMING: 3967600 CPU: 12539.1, 0.00317597/step Wall: 12539.1, 0.00317597/step, 0.910799 hours remaining, 234.882812 MB of memory in use. ENERGY: 3967600 3915.8858 20423.0678 14460.8091 247.8743 -203528.1622 2608.4320 0.0000 0.0000 51480.3382 -110391.7550 295.8582 -161872.0931 -110038.5878 296.8399 92.8170 121.4777 761649.1857 14.4213 14.7265 PRESSURE: 3967800 52.6575 -97.7138 165.067 -97.7131 -119.919 -146.015 165.066 -146.015 -71.9175 GPRESSURE: 3967800 72.1505 -135.652 137.981 -30.6651 -27.9732 -177.584 235.09 -107.812 -94.7374 PRESSAVG: 3967800 12.677 -22.8301 -12.2632 -22.8301 -12.9164 -88.6664 -12.2632 -88.6664 -21.9061 GPRESSAVG: 3967800 14.2141 -23.1012 -14.1631 -23.6112 -14.5557 -87.4551 -9.09655 -86.7043 -21.626 TIMING: 3967800 CPU: 12539.7, 0.00313048/step Wall: 12539.7, 0.00313048/step, 0.897577 hours remaining, 234.882812 MB of memory in use. ENERGY: 3967800 3974.0302 20297.0409 14504.7590 249.2949 -203914.0719 2790.0297 0.0000 0.0000 51801.4676 -110297.4497 297.7037 -162098.9173 -109949.6752 297.1972 -46.3930 -16.8533 760452.6519 -7.3818 -7.3225 PRESSURE: 3968000 -118.842 77.8545 66.6267 77.8557 -214.521 -67.1106 66.6269 -67.1098 -400.746 GPRESSURE: 3968000 -114.621 47.5667 165.181 25.124 -119.433 -39.4104 24.3635 -200.304 -419.151 PRESSAVG: 3968000 0.496839 -12.7582 67.2746 -12.7582 -13.2814 -24.4782 67.2746 -24.4783 4.06408 GPRESSAVG: 3968000 -1.218 -12.9906 67.1757 -11.2692 -11.7147 -25.6508 65.8485 -27.0155 4.27038 TIMING: 3968000 CPU: 12540.4, 0.00316128/step Wall: 12540.4, 0.00316128/step, 0.906234 hours remaining, 234.882812 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: 3968000 3989.4251 20607.2980 14556.3286 254.1988 -203619.9711 2504.4458 0.0000 0.0000 51622.3228 -110085.9520 296.6742 -161708.2748 -109742.5466 297.3883 -244.7028 -217.7352 761767.2820 -2.9068 -2.8874 PRESSURE: 3968200 144.95 24.8568 59.0939 24.8573 -44.0448 -33.8821 59.0937 -33.8819 218.175 GPRESSURE: 3968200 142.243 26.7222 119.186 95.2594 27.2886 -117.475 50.1696 -128.265 232.495 PRESSAVG: 3968200 49.4219 39.1409 5.70775 39.1408 -24.8425 19.899 5.70772 19.899 -6.66693 GPRESSAVG: 3968200 50.2009 38.4668 7.5393 39.0373 -25.1015 20.4775 6.36695 22.4588 -6.78919 TIMING: 3968200 CPU: 12541, 0.00319072/step Wall: 12541, 0.00319072/step, 0.914496 hours remaining, 234.882812 MB of memory in use. ENERGY: 3968200 3955.8555 20500.5300 14488.8847 234.5237 -203946.1509 2926.8787 0.0000 0.0000 52095.9962 -109743.4821 299.3964 -161839.4783 -109388.6918 297.8291 106.3598 134.0090 760775.9984 5.9708 6.1034 LDB: ============= START OF LOAD BALANCING ============== 12553.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12553.5 LDB: =============== DONE WITH MIGRATION ================ 12553.5 LDB: ============= START OF LOAD BALANCING ============== 12553.9 LDB: Largest compute 7076 load 0.032087 is 16.4% of average load 0.195635 LDB: Average compute 0.004367 is 2.2% of average load 0.195635 LDB: TIME 12553.9 LOAD: AVG 0.195635 MAX 0.214726 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.938 MB LDB: TIME 12553.9 LOAD: AVG 0.195635 MAX 0.214726 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.965 MB LDB: TIME 12553.9 LOAD: AVG 0.195635 MAX 0.214726 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.965 MB LDB: ============== END OF LOAD BALANCING =============== 12553.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12553.9 PRESSURE: 3968400 270.541 -50.4531 -114.159 -50.4527 -187.275 28.8315 -114.16 28.8312 116.171 GPRESSURE: 3968400 238.198 7.03278 -138.226 -48.0397 -88.8415 46.8029 -171.853 59.5338 130.459 PRESSAVG: 3968400 35.4039 23.238 -15.4905 23.2381 -21.8997 -20.4645 -15.4905 -20.4645 -4.29246 GPRESSAVG: 3968400 34.5699 24.3781 -17.2963 22.0042 -21.9058 -19.886 -16.5942 -22.3024 -3.08264 TIMING: 3968400 CPU: 12541.7, 0.00324865/step Wall: 12541.7, 0.00324866/step, 0.93092 hours remaining, 235.906250 MB of memory in use. ENERGY: 3968400 4030.2382 20623.7449 14554.9139 242.9748 -203755.6395 2778.8034 0.0000 0.0000 51839.8391 -109685.1252 297.9243 -161524.9642 -109327.2009 298.6670 66.4793 93.2719 761854.8435 3.0706 3.1938 PRESSURE: 3968600 -55.9641 -41.6843 -220.39 -41.6848 -134.711 73.8332 -220.39 73.8338 -189.963 GPRESSURE: 3968600 59.037 -64.939 -316.88 -46.5054 -108.174 55.1111 -180.684 -38.2567 -270.742 PRESSAVG: 3968600 23.6283 -5.19059 -66.7814 -5.19064 -14.6709 -55.1622 -66.7814 -55.1623 -8.09465 GPRESSAVG: 3968600 25.4268 -4.65811 -65.5302 -4.91345 -15.3878 -55.8931 -68.422 -56.9185 -9.53296 TIMING: 3968600 CPU: 12542.3, 0.00316073/step Wall: 12542.3, 0.00316073/step, 0.905548 hours remaining, 236.367188 MB of memory in use. ENERGY: 3968600 4020.2571 20493.5235 14593.4364 262.6678 -203954.1225 2918.7607 0.0000 0.0000 52171.5628 -109493.9142 299.8307 -161665.4769 -109132.5104 298.4745 -126.8792 -106.6263 761476.3913 0.2876 0.1687 PRESSURE: 3968800 -176.817 -54.6124 87.2387 -54.6127 64.49 7.08318 87.2389 7.08205 -131.224 GPRESSURE: 3968800 -67.8359 -65.2487 114.837 -24.4058 -49.2819 30.7047 118.119 65.155 -50.0355 PRESSAVG: 3968800 64.4 -49.2861 -31.1547 -49.2862 -40.6241 -14.5962 -31.1546 -14.5964 -21.2605 GPRESSAVG: 3968800 62.4191 -49.8058 -29.4698 -47.2484 -39.6595 -13.2233 -29.9113 -13.2827 -20.3887 TIMING: 3968800 CPU: 12542.9, 0.00315177/step Wall: 12542.9, 0.00315177/step, 0.902808 hours remaining, 236.367188 MB of memory in use. ENERGY: 3968800 4032.5150 20686.0200 14464.1493 248.2380 -203230.5872 2501.9249 0.0000 0.0000 51952.4886 -109345.2513 298.5717 -161297.7399 -108990.0524 299.5622 -81.1835 -55.7178 760873.2037 0.8385 0.7903 PRESSURE: 3969000 177.382 97.2901 -11.8017 97.2896 55.7339 154.839 -11.8017 154.838 200.305 GPRESSURE: 3969000 220.985 46.486 -84.3634 136.105 67.9344 49.8226 -47.7894 184.602 222.956 PRESSAVG: 3969000 12.2562 10.34 -35.396 10.34 -44.0895 9.46129 -35.3961 9.46131 18.5942 GPRESSAVG: 3969000 12.5984 10.436 -36.7752 8.62298 -44.0423 7.10796 -35.8657 11.1562 17.5086 TIMING: 3969000 CPU: 12543.5, 0.00314838/step Wall: 12543.5, 0.00314838/step, 0.901661 hours remaining, 236.367188 MB of memory in use. ENERGY: 3969000 3994.9359 20415.9652 14493.3637 249.3538 -203644.5695 3068.8216 0.0000 0.0000 52296.7760 -109125.3533 300.5503 -161422.1293 -108759.9342 299.0599 144.4736 170.6251 762564.6681 -4.4130 -4.6451 PRESSURE: 3969200 -223.937 -112.493 -57.8042 -112.494 84.5115 283.598 -57.8034 283.597 87.9241 GPRESSURE: 3969200 -150.518 25.4794 -123.477 40.7806 106.18 283.286 110.851 259.741 77.9179 PRESSAVG: 3969200 -43.3688 38.2026 48.6562 38.2026 97.0796 23.2619 48.6562 23.2619 1.06716 GPRESSAVG: 3969200 -44.2578 38.006 47.1007 40.0817 96.8579 24.832 49.3041 21.9935 2.17827 TIMING: 3969200 CPU: 12544.2, 0.00314004/step Wall: 12544.2, 0.00314004/step, 0.899097 hours remaining, 236.367188 MB of memory in use. ENERGY: 3969200 4041.3036 20513.6275 14499.2313 244.1764 -203174.5477 2740.7584 0.0000 0.0000 51978.9679 -109156.4827 298.7238 -161135.4506 -108805.8721 299.6120 -17.1672 11.1934 762178.0611 18.2593 18.2595 PRESSURE: 3969400 -242.677 94.2719 -164.128 94.2721 -88.7132 -55.7642 -164.128 -55.7651 37.1776 GPRESSURE: 3969400 -181.128 168.864 -135.994 95.5271 -89.4496 -61.7682 -107.371 -188.16 57.1477 PRESSAVG: 3969400 -34.6961 44.803 8.81338 44.803 12.7906 8.04151 8.81336 8.04146 6.69042 GPRESSAVG: 3969400 -34.7435 44.5038 8.60381 44.5472 13.9165 7.71207 9.79263 7.47676 5.3285 TIMING: 3969400 CPU: 12544.8, 0.00314557/step Wall: 12544.8, 0.00314557/step, 0.900506 hours remaining, 236.367188 MB of memory in use. ENERGY: 3969400 3998.9711 20524.4783 14485.4944 247.5727 -202723.8115 2214.6773 0.0000 0.0000 52061.7498 -109190.8679 299.1996 -161252.6177 -108829.5631 299.1095 -98.0709 -71.1434 762618.0143 -5.0717 -5.1662 PRESSURE: 3969600 -5.71246 11.6375 67.5541 11.6367 -66.3013 -23.4816 67.5546 -23.4828 141.784 GPRESSURE: 3969600 77.298 -30.4787 58.3911 -1.80979 -109.264 -11.2251 50.9753 16.9897 185.041 PRESSAVG: 3969600 -30.886 23.8386 63.539 23.8387 65.149 19.3442 63.539 19.3443 -21.5667 GPRESSAVG: 3969600 -30.0935 25.8706 64.9414 21.9911 63.1105 20.3358 61.299 19.1834 -20.6135 TIMING: 3969600 CPU: 12545.4, 0.00314139/step Wall: 12545.4, 0.00314139/step, 0.899136 hours remaining, 236.367188 MB of memory in use. ENERGY: 3969600 3974.1156 20519.0390 14499.2861 252.6867 -203448.2301 2928.2119 0.0000 0.0000 52037.5739 -109237.3168 299.0607 -161274.8908 -108866.8409 298.8593 23.2567 51.0248 762932.8131 4.2321 4.1345 PRESSURE: 3969800 4.95651 31.6361 -99.5375 31.6354 196.899 46.6492 -99.5381 46.6503 -255.595 GPRESSURE: 3969800 -33.4276 105.818 -189.273 20.2208 248.243 99.4425 -31.8742 53.708 -170.358 PRESSAVG: 3969800 11.1458 18.6352 18.7955 18.6352 -17.7653 42.7075 18.7954 42.7075 -17.5741 GPRESSAVG: 3969800 11.5146 17.5146 16.6045 19.5186 -18.0754 40.4724 19.9735 43.6653 -17.2176 TIMING: 3969800 CPU: 12546.1, 0.00316912/step Wall: 12546.1, 0.00316912/step, 0.906897 hours remaining, 236.367188 MB of memory in use. ENERGY: 3969800 3959.0485 20515.2700 14434.9094 226.3752 -203168.0904 2647.1910 0.0000 0.0000 52183.6824 -109201.6138 299.9003 -161385.2962 -108838.3171 299.0921 -17.9132 14.8190 761701.8962 -8.0645 -7.9261 PRESSURE: 3970000 -136.62 70.1448 -19.3123 70.1442 66.7052 85.7484 -19.3116 85.7485 426.089 GPRESSURE: 3970000 -103.142 13.3458 -109.258 11.2096 146.513 85.7037 41.5232 33.7408 381.008 PRESSAVG: 3970000 60.727 -37.604 22.4818 -37.6039 -63.7477 -6.48572 22.4818 -6.4857 3.685 GPRESSAVG: 3970000 59.1629 -38.7458 24.1715 -37.5444 -60.8338 -5.36143 23.2374 -6.95315 2.2798 TIMING: 3970000 CPU: 12546.7, 0.00316223/step Wall: 12546.7, 0.00316223/step, 0.90475 hours remaining, 236.367188 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: 3970000 3925.9434 20608.1273 14515.8839 265.2714 -203256.7092 2441.5213 0.0000 0.0000 51998.0539 -109501.9080 298.8335 -161499.9619 -109140.8292 299.3398 118.7247 141.4597 760106.3347 0.2214 0.2030 PRESSURE: 3970200 -80.353 92.0069 47.8645 92.0072 -40.9097 -139.464 47.8648 -139.465 -554.808 GPRESSURE: 3970200 -24.0677 45.8579 21.6443 280.538 -75.8216 -193.174 95.7862 -112.538 -482.708 PRESSAVG: 3970200 -5.2003 22.8342 -4.02457 22.8342 2.30453 1.11819 -4.02461 1.11815 -14.0581 GPRESSAVG: 3970200 -4.82253 22.7641 -6.40373 23.8891 1.43812 2.19992 -4.7265 0.874411 -12.9528 TIMING: 3970200 CPU: 12547.3, 0.00315591/step Wall: 12547.3, 0.00315591/step, 0.902765 hours remaining, 236.367188 MB of memory in use. ENERGY: 3970200 3963.4160 20532.1594 14440.9629 250.0228 -203206.5886 2385.0256 0.0000 0.0000 51977.2788 -109657.7232 298.7141 -161635.0020 -109288.5058 298.9636 -225.3568 -194.1991 761725.6488 -5.6513 -5.4457 PRESSURE: 3970400 258.945 141.318 -54.4799 141.319 213.443 13.1586 -54.4793 13.1584 -222.964 GPRESSURE: 3970400 274.677 141.544 -37.8201 52.2249 236.143 120.988 -125.007 -80.2951 -177.078 PRESSAVG: 3970400 9.71121 -0.587277 35.1946 -0.58726 12.4751 -0.02267 35.1946 -0.0226705 -9.08061 GPRESSAVG: 3970400 11.3833 -4.04929 39.0416 -0.725084 11.0334 -3.0477 34.1295 0.820466 -8.58149 TIMING: 3970400 CPU: 12548, 0.00316175/step Wall: 12548, 0.00316175/step, 0.90426 hours remaining, 236.367188 MB of memory in use. ENERGY: 3970400 3976.4556 20545.5286 14489.6796 238.6474 -203217.0458 2776.6297 0.0000 0.0000 51734.1660 -109455.9390 297.3170 -161190.1049 -109100.3589 298.7159 83.1412 111.2474 761278.9546 4.3686 4.6117 PRESSURE: 3970600 -41.3489 222.873 -165.394 222.873 -528.453 -35.8888 -165.395 -35.889 -446.768 GPRESSURE: 3970600 -23.0925 122.298 -72.8942 140.893 -453.839 -43.2221 -108.945 85.8788 -466.508 PRESSAVG: 3970600 28.8362 34.3486 15.802 34.3486 -34.0751 -9.17637 15.802 -9.17634 -5.06058 GPRESSAVG: 3970600 27.7558 38.3171 15.5584 34.4426 -32.306 -8.15818 16.6525 -10.9527 -6.34678 TIMING: 3970600 CPU: 12548.6, 0.00314868/step Wall: 12548.6, 0.00314868/step, 0.900347 hours remaining, 236.367188 MB of memory in use. ENERGY: 3970600 3977.7210 20494.4321 14402.4635 208.1945 -202767.4442 2305.2581 0.0000 0.0000 52049.9927 -109329.3824 299.1320 -161379.3751 -108967.7135 298.7784 -338.8567 -314.4797 763447.5342 -3.4332 -3.6323 PRESSURE: 3970800 263.358 278.491 -238.193 278.491 255.03 112.428 -238.193 112.428 65.2002 GPRESSURE: 3970800 417.348 227.645 -277.301 238.464 227.38 119.852 -202.817 136.551 37.4441 PRESSAVG: 3970800 17.9196 14.0363 -29.8955 14.0364 -30.6992 42.3644 -29.8956 42.3644 -8.54747 GPRESSAVG: 3970800 18.6195 12.6271 -28.941 15.919 -32.0292 43.4917 -29.8147 43.0901 -8.25754 TIMING: 3970800 CPU: 12549.2, 0.00314705/step Wall: 12549.2, 0.00314705/step, 0.899707 hours remaining, 236.367188 MB of memory in use. ENERGY: 3970800 3964.2630 20506.7641 14461.7665 265.8670 -203197.4014 2791.1020 0.0000 0.0000 51987.2128 -109220.4261 298.7712 -161207.6389 -108861.7037 299.3976 194.5295 227.3906 762279.2109 -7.1090 -7.2224 PRESSURE: 3971000 -21.1705 -20.3522 -275.664 -20.3518 -74.0402 -1.07771 -275.663 -1.0779 326.259 GPRESSURE: 3971000 -0.0554057 -28.0492 -225.724 47.4699 -31.438 57.773 -369.79 -1.07865 351.381 PRESSAVG: 3971000 34.4321 -26.179 -40.4994 -26.1789 -11.1151 19.7703 -40.4993 19.7703 5.71995 GPRESSAVG: 3971000 33.265 -25.6302 -42.248 -28.6546 -10.7768 20.0554 -40.5865 20.076 6.46992 TIMING: 3971000 CPU: 12549.9, 0.00317633/step Wall: 12549.9, 0.00317633/step, 0.9079 hours remaining, 236.367188 MB of memory in use. ENERGY: 3971000 4007.3495 20687.7807 14530.0887 262.2318 -202841.9473 2416.9762 0.0000 0.0000 51785.2423 -109152.2781 297.6105 -160937.5204 -108796.4610 299.5534 77.0160 106.6292 761619.9938 9.6790 9.6527 PRESSURE: 3971200 31.1274 -12.4288 -88.0849 -12.4291 -401.728 181.548 -88.0854 181.548 48.8268 GPRESSURE: 3971200 -34.5733 83.8314 -169.461 -69.1801 -195.041 109.368 -88.4734 208.116 -21.3883 PRESSAVG: 3971200 10.9849 -72.2755 -3.44026 -72.2755 -9.16491 18.3218 -3.44026 18.3218 5.14759 GPRESSAVG: 3971200 12.5491 -71.5204 -3.75288 -71.8517 -9.63095 17.6132 -5.28278 17.5573 3.56162 TIMING: 3971200 CPU: 12550.5, 0.0031771/step Wall: 12550.5, 0.0031771/step, 0.907944 hours remaining, 236.367188 MB of memory in use. ENERGY: 3971200 4028.0820 20512.1632 14513.1096 251.1145 -202577.1745 2196.8343 0.0000 0.0000 51996.0221 -109079.8488 298.8219 -161075.8709 -108715.5200 299.4008 -107.2580 -83.6677 761392.6664 2.3225 2.1599 PRESSURE: 3971400 140.462 5.91495 -148.388 5.91426 -102.3 219.828 -148.388 219.829 124.57 GPRESSURE: 3971400 148.571 87.2125 -128.87 -12.1661 -0.594401 157.531 -84.9943 250.869 64.0702 PRESSAVG: 3971400 59.8729 28.7158 -7.81197 28.7158 -47.1776 104.206 -7.81197 104.206 -7.4482 GPRESSAVG: 3971400 58.0848 27.7833 -6.99688 29.1066 -46.342 103.464 -5.64072 104.51 -6.44137 TIMING: 3971400 CPU: 12551.1, 0.00317584/step Wall: 12551.1, 0.00317584/step, 0.907407 hours remaining, 236.367188 MB of memory in use. ENERGY: 3971400 3971.2316 20519.8852 14479.7081 245.2060 -203086.5540 2488.0862 0.0000 0.0000 52265.4944 -109116.9424 300.3705 -161382.4368 -108747.8156 299.6852 54.2442 70.6821 760171.6646 1.7490 1.7672 PRESSURE: 3971600 -283.301 -149.947 -93.9771 -149.946 21.0963 65.774 -93.9772 65.7749 98.4115 GPRESSURE: 3971600 -218.658 -189.638 -114.315 -168.107 63.8433 19.2669 -41.9748 28.7254 87.5208 PRESSAVG: 3971600 11.4612 -5.01466 -33.0252 -5.01461 13.0603 12.8272 -33.0252 12.8272 -9.39494 GPRESSAVG: 3971600 11.2901 -2.46116 -35.1144 -6.27821 12.5021 13.8167 -31.6142 13.2817 -8.66324 TIMING: 3971600 CPU: 12551.8, 0.00318281/step Wall: 12551.8, 0.00318281/step, 0.909222 hours remaining, 236.367188 MB of memory in use. ENERGY: 3971600 3991.0355 20451.6707 14490.0602 241.7655 -203051.4934 2654.5064 0.0000 0.0000 52174.2721 -109048.1829 299.8463 -161222.4550 -108684.8598 300.0631 -54.5978 -22.4313 762404.9082 5.0422 5.0430 PRESSURE: 3971800 43.1587 -101.473 -153.387 -101.473 -216.604 -72.4377 -153.388 -72.438 3.99468 GPRESSURE: 3971800 47.4251 -168.246 -118.457 -49.2641 -168.336 -82.2961 -287.416 -90.6936 35.2361 PRESSAVG: 3971800 29.9792 2.54095 54.7482 2.54092 -55.8682 -20.4711 54.7482 -20.471 -13.9213 GPRESSAVG: 3971800 30.1241 0.901362 56.1892 3.50054 -55.0784 -20.1926 51.5802 -20.7966 -14.9909 TIMING: 3971800 CPU: 12552.4, 0.00317497/step Wall: 12552.4, 0.00317497/step, 0.906806 hours remaining, 236.367188 MB of memory in use. ENERGY: 3971800 4040.6545 20398.9337 14493.6131 257.2730 -203157.6347 2668.4666 0.0000 0.0000 52115.9422 -109182.7516 299.5110 -161298.6938 -108816.8468 299.2637 -56.4834 -28.5582 762468.3100 -13.2701 -13.3151 PRESSURE: 3972000 86.4756 123.25 410.389 123.249 13.258 175.903 410.389 175.904 444.036 GPRESSURE: 3972000 185.411 165.159 406.372 74.4463 10.3271 214.449 391.401 135.268 439.058 PRESSAVG: 3972000 48.5953 22.3165 27.3628 22.3165 -38.0226 -55.2559 27.3628 -55.2559 -13.6954 GPRESSAVG: 3972000 48.6126 23.9167 28.2123 21.8132 -37.9936 -56.5772 28.4926 -54.3586 -13.8033 TIMING: 3972000 CPU: 12553, 0.00316377/step Wall: 12553, 0.00316377/step, 0.903432 hours remaining, 236.367188 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: 3972000 3925.7698 20603.0615 14481.2919 238.1586 -203204.6170 2669.8082 0.0000 0.0000 52109.6852 -109176.8419 299.4751 -161286.5271 -108818.2120 299.2393 181.2564 211.5989 760719.9241 -1.0409 -1.0614 PRESSURE: 3972200 220.057 -61.0519 67.1489 -61.0519 -351.682 125.355 67.1476 125.355 27.8648 GPRESSURE: 3972200 241.713 15.1825 29.6494 -157.92 -323.223 22.347 -25.4936 109.907 64.0768 PRESSAVG: 3972200 13.1275 4.36869 25.0739 4.36867 -41.2203 -1.53858 25.074 -1.53856 23.8829 GPRESSAVG: 3972200 13.7936 3.45467 24.6897 4.96633 -42.0698 0.461741 24.7069 -2.68224 23.9769 TIMING: 3972200 CPU: 12553.7, 0.00315121/step Wall: 12553.7, 0.00315121/step, 0.899669 hours remaining, 236.367188 MB of memory in use. ENERGY: 3972200 4024.9371 20423.1137 14471.8310 232.2908 -203442.1886 2897.1171 0.0000 0.0000 52097.8019 -109295.0969 299.4068 -161392.8988 -108934.9266 299.4459 -34.5867 -5.8113 760305.3380 -1.4033 -1.4331 LDB: ============= START OF LOAD BALANCING ============== 12566.2 LDB: ============== END OF LOAD BALANCING =============== 12566.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12566.2 LDB: ============= START OF LOAD BALANCING ============== 12566.5 LDB: Largest compute 7075 load 0.032310 is 16.5% of average load 0.195526 LDB: Average compute 0.004412 is 2.3% of average load 0.195526 LDB: TIME 12566.5 LOAD: AVG 0.195526 MAX 0.217969 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 12566.5 LOAD: AVG 0.195526 MAX 0.217969 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: TIME 12566.5 LOAD: AVG 0.195526 MAX 0.217969 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: ============== END OF LOAD BALANCING =============== 12566.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12566.5 PRESSURE: 3972400 237.001 -212.838 -278.222 -212.84 130.792 -74.4853 -278.222 -74.4847 70.2714 GPRESSURE: 3972400 182.254 -126.985 -196.159 -205.775 139.919 -103.478 -335.233 10.5368 201.984 PRESSAVG: 3972400 46.268 38.8996 -18.5162 38.8996 -73.2994 -29.1451 -18.5162 -29.1452 48.9482 GPRESSAVG: 3972400 44.6225 39.8852 -19.1693 38.5571 -72.0941 -29.7602 -18.3243 -27.4404 49.2016 TIMING: 3972400 CPU: 12554.3, 0.00322525/step Wall: 12554.3, 0.00322525/step, 0.920629 hours remaining, 235.347656 MB of memory in use. ENERGY: 3972400 4019.9885 20365.3882 14474.7732 258.7964 -203290.2470 2689.6666 0.0000 0.0000 52365.7736 -109115.8606 300.9468 -161481.6341 -108749.9960 299.4718 146.0216 174.7193 760447.7935 7.3056 7.2433 PRESSURE: 3972600 -299.895 199.144 -176.94 199.144 -325.016 51.6188 -176.94 51.6184 -156.057 GPRESSURE: 3972600 -163.866 188.207 -243.357 113.414 -297.326 32.0313 -190.976 157.282 -226.42 PRESSAVG: 3972600 25.5832 15.3583 -16.5914 15.3584 -28.995 -80.5449 -16.5914 -80.5449 -7.0804 GPRESSAVG: 3972600 26.2355 14.4174 -17.5726 13.6127 -29.8577 -80.1881 -16.2972 -80.9264 -7.23231 TIMING: 3972600 CPU: 12554.9, 0.00317196/step Wall: 12554.9, 0.00317196/step, 0.905243 hours remaining, 235.414062 MB of memory in use. ENERGY: 3972600 3931.1232 20447.9976 14553.0918 228.3185 -202783.7111 2229.1327 0.0000 0.0000 52177.4997 -109216.5475 299.8648 -161394.0472 -108844.8591 299.8201 -260.3226 -229.2039 762364.0962 -3.4974 -3.6182 PRESSURE: 3972800 201.151 -12.3377 2.33114 -12.3378 -83.9314 -138.512 2.33097 -138.512 215.133 GPRESSURE: 3972800 149.876 -1.30889 -2.43544 111.133 15.739 -117.919 -63.3146 -238.542 238.082 PRESSAVG: 3972800 61.5971 1.78889 23.5505 1.7889 -7.27321 -38.6205 23.5506 -38.6205 8.64488 GPRESSAVG: 3972800 62.8198 0.44914 25.0381 4.92921 -7.76425 -37.8567 23.6801 -41.4781 7.62931 TIMING: 3972800 CPU: 12555.6, 0.00316531/step Wall: 12555.6, 0.00316531/step, 0.903168 hours remaining, 235.414062 MB of memory in use. ENERGY: 3972800 4059.3764 20636.7713 14452.2385 233.5124 -203551.1635 2814.6200 0.0000 0.0000 52272.8074 -109081.8374 300.4125 -161354.6448 -108713.2388 300.0830 110.7842 134.5660 761039.3416 20.9896 20.8950 PRESSURE: 3973000 -24.8379 105.669 82.8476 105.669 -183.243 71.3959 82.8473 71.3958 -117.813 GPRESSURE: 3973000 2.83944 124.336 52.4771 209.761 -104.907 -89.4887 185.807 17.2911 -131.74 PRESSAVG: 3973000 -2.89108 52.1822 13.5315 52.1822 13.6221 -28.483 13.5315 -28.483 -19.9736 GPRESSAVG: 3973000 -4.38007 50.7773 15.4239 53.0067 15.0138 -29.5971 13.3615 -26.7647 -19.2069 TIMING: 3973000 CPU: 12556.2, 0.00315242/step Wall: 12556.2, 0.00315242/step, 0.899315 hours remaining, 235.472656 MB of memory in use. ENERGY: 3973000 4060.2131 20540.9871 14492.9232 264.6623 -203168.9011 2529.4238 0.0000 0.0000 52053.0908 -109227.6007 299.1498 -161280.6915 -108870.9745 299.3346 -108.6312 -77.9359 761624.8979 -3.0808 -2.8577 PRESSURE: 3973200 -112.332 43.0099 -121.571 43.0096 91.9574 287.174 -121.571 287.173 264.425 GPRESSURE: 3973200 -103.667 60.4073 -178.69 83.0205 123.704 255.697 -141.299 154.834 285.162 PRESSAVG: 3973200 7.45499 26.2043 -22.9118 26.2043 23.09 6.36448 -22.9118 6.36457 -14.7333 GPRESSAVG: 3973200 6.86828 29.3458 -24.7199 22.3241 23.4508 5.68753 -22.8962 6.55887 -14.2818 TIMING: 3973200 CPU: 12556.8, 0.00315751/step Wall: 12556.8, 0.00315751/step, 0.900591 hours remaining, 235.472656 MB of memory in use. ENERGY: 3973200 4077.4049 20482.2148 14521.3813 287.8326 -203743.2279 2798.7607 0.0000 0.0000 52074.3372 -109501.2965 299.2719 -161575.6337 -109136.8772 299.2016 81.3503 101.7332 762168.2790 5.2706 5.3458 PRESSURE: 3973400 -6.80178 64.6234 -166.279 64.6238 -45.8347 -84.7969 -166.279 -84.797 103.513 GPRESSURE: 3973400 63.1527 160.028 -97.7763 -9.95279 -60.1941 -50.7829 -172.917 -18.8397 120.237 PRESSAVG: 3973400 21.6182 -14.1317 -33.7709 -14.1317 5.37154 1.04296 -33.7709 1.04296 -7.75189 GPRESSAVG: 3973400 22.091 -15.6183 -33.3217 -11.5681 5.12497 2.99383 -33.9529 -0.298949 -8.3155 TIMING: 3973400 CPU: 12557.5, 0.003201/step Wall: 12557.5, 0.003201/step, 0.912817 hours remaining, 235.472656 MB of memory in use. ENERGY: 3973400 3969.4593 20666.3019 14483.9829 236.4784 -203173.3138 2523.3966 0.0000 0.0000 51845.4602 -109448.2346 297.9566 -161293.6948 -109085.1881 299.2742 16.9587 41.0653 761724.9530 6.4126 6.3002 PRESSURE: 3973600 -249.54 -105.704 -63.1967 -105.705 223.819 8.36997 -63.1966 8.36924 -34.6758 GPRESSURE: 3973600 -181.528 -51.5274 -36.55 38.6182 314.642 92.9825 -13.3998 35.7126 -99.7396 PRESSAVG: 3973600 -31.4276 9.69207 9.25208 9.69204 3.06844 -26.1784 9.25216 -26.1784 -29.2387 GPRESSAVG: 3973600 -30.6394 10.5087 8.28094 9.82217 2.19655 -25.6643 9.10966 -25.0203 -28.9426 TIMING: 3973600 CPU: 12558.1, 0.00322215/step Wall: 12558.1, 0.00322216/step, 0.918672 hours remaining, 235.722656 MB of memory in use. ENERGY: 3973600 3941.7525 20514.8956 14398.5217 246.6042 -203039.7261 2470.4935 0.0000 0.0000 51988.4406 -109479.0181 298.7783 -161467.4587 -109099.7068 299.2881 -20.1322 11.1250 761019.2956 -19.1993 -19.1285 PRESSURE: 3973800 96.0584 -65.6117 -93.3669 -65.6105 310.562 94.0848 -93.3669 94.0852 -9.24683 GPRESSURE: 3973800 84.3107 -124.017 -105.812 -101.199 404.999 59.0918 -64.5937 139.734 -4.04397 PRESSAVG: 3973800 -24.053 13.1439 -23.344 13.1439 39.8567 9.7407 -23.3441 9.74074 -11.0662 GPRESSAVG: 3973800 -25.1904 11.7295 -22.8999 11.2095 40.4734 8.19736 -21.3615 8.59171 -11.041 TIMING: 3973800 CPU: 12558.8, 0.00318226/step Wall: 12558.8, 0.00318226/step, 0.907121 hours remaining, 235.722656 MB of memory in use. ENERGY: 3973800 3975.4789 20460.0150 14482.2071 255.2336 -203533.5463 2953.6116 0.0000 0.0000 52161.5227 -109245.4773 299.7730 -161407.0000 -108881.1953 299.7218 132.4578 161.7552 759901.3688 1.5791 1.4140 PRESSURE: 3974000 97.276 -37.3299 167.476 -37.3303 -245.578 -86.8895 167.475 -86.8901 -117.661 GPRESSURE: 3974000 60.7495 -93.4481 206.28 -0.777881 -125.98 -61.1149 271.117 -63.1148 -115.33 PRESSAVG: 3974000 43.4316 -15.6938 -3.33704 -15.6937 -31.3431 -12.3293 -3.33702 -12.3293 -27.671 GPRESSAVG: 3974000 43.3648 -13.8837 -2.58996 -14.5588 -31.6219 -11.0183 -4.15876 -11.5015 -26.9879 TIMING: 3974000 CPU: 12559.4, 0.00319186/step Wall: 12559.4, 0.00319186/step, 0.909681 hours remaining, 235.722656 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: 3974000 3999.4951 20419.9465 14407.2646 231.9536 -202838.1548 2341.2756 0.0000 0.0000 52360.6823 -109077.5371 300.9176 -161438.2194 -108698.8739 299.5257 -88.6542 -60.1868 761793.5541 -5.1942 -5.0817 PRESSURE: 3974200 389.403 37.1205 151.338 37.12 186.383 82.4657 151.338 82.4673 -43.5501 GPRESSURE: 3974200 403.978 104.263 68.3649 7.20754 217.47 114.825 142.121 67.0965 -19.6757 PRESSAVG: 3974200 8.27038 17.4505 7.86336 17.4505 -58.6293 31.7323 7.86338 31.7323 25.6307 GPRESSAVG: 3974200 7.88083 16.7278 8.24782 16.5517 -58.3949 31.8724 5.59354 29.8287 25.8092 TIMING: 3974200 CPU: 12560, 0.00319838/step Wall: 12560, 0.00319838/step, 0.911359 hours remaining, 235.722656 MB of memory in use. ENERGY: 3974200 3976.7313 20504.9362 14546.6206 217.6699 -203145.6266 2723.0506 0.0000 0.0000 52051.7823 -109124.8357 299.1423 -161176.6180 -108760.6950 299.5568 177.4120 200.5906 760775.7417 -8.2428 -8.2350 PRESSURE: 3974400 -186.688 17.781 52.6964 17.7819 -190.357 -7.33945 52.6967 -7.33912 -504.796 GPRESSURE: 3974400 -107.748 120.817 103.798 -93.8106 -269.616 -75.8228 -27.3965 -20.3468 -409.53 PRESSAVG: 3974400 41.3513 -56.0184 -41.7635 -56.0183 -2.9123 24.4561 -41.7635 24.4561 -1.412 GPRESSAVG: 3974400 41.5401 -54.6552 -42.0511 -55.8543 -1.92167 22.689 -40.8861 26.7601 -2.1166 TIMING: 3974400 CPU: 12560.7, 0.00318831/step Wall: 12560.7, 0.00318831/step, 0.908313 hours remaining, 235.722656 MB of memory in use. ENERGY: 3974400 4003.8205 20458.5621 14404.7312 251.5960 -203202.9318 2518.7056 0.0000 0.0000 52393.1444 -109172.3719 301.1041 -161565.5164 -108814.5355 299.9689 -293.9469 -262.2981 761660.2100 12.3423 12.5006 PRESSURE: 3974600 146.063 -159.155 -76.4591 -159.155 -284.272 129.98 -76.458 129.98 170.903 GPRESSURE: 3974600 144.274 -112.388 -97.3877 -87.7497 -273.414 164.684 115.646 93.5763 215.742 PRESSAVG: 3974600 51.0001 -24.6258 36.8948 -24.6258 -42.8022 3.62605 36.8948 3.626 1.33786 GPRESSAVG: 3974600 51.8449 -26.1205 36.6706 -24.8935 -45.2196 3.19121 37.019 4.4016 2.93196 TIMING: 3974600 CPU: 12561.3, 0.00319999/step Wall: 12561.3, 0.00319999/step, 0.911463 hours remaining, 235.722656 MB of memory in use. ENERGY: 3974600 3975.7802 20467.5611 14470.8747 250.6894 -202928.1509 2531.8559 0.0000 0.0000 52093.5844 -109137.8052 299.3825 -161231.3896 -108773.6662 299.4007 10.8977 28.8673 762596.7432 3.1786 3.1858 PRESSURE: 3974800 421.919 -102.428 138.974 -102.428 -23.6961 -43.3983 138.973 -43.3975 284.918 GPRESSURE: 3974800 411.45 -67.076 25.2719 -125.378 75.1957 38.36 80.497 -101.779 279.526 PRESSAVG: 3974800 17.7215 10.835 19.9099 10.835 -20.6306 20.0004 19.9099 20.0004 18.2304 GPRESSAVG: 3974800 17.6506 10.9907 19.4752 10.4607 -19.2105 22.3086 19.7738 17.7693 17.0853 TIMING: 3974800 CPU: 12562, 0.00319724/step Wall: 12562, 0.00319724/step, 0.910503 hours remaining, 235.722656 MB of memory in use. ENERGY: 3974800 3958.9626 20520.2351 14489.9568 239.9640 -203827.0122 2954.6059 0.0000 0.0000 52265.8646 -109397.4232 300.3726 -161663.2877 -109035.7828 299.4688 227.7137 255.3904 759265.8877 5.1071 5.1751 PRESSURE: 3975000 -554.94 188.792 11.9534 188.792 -187.437 184.87 11.954 184.872 -75.3679 GPRESSURE: 3975000 -453.929 204.27 -4.38744 140.349 -213.854 215.987 17.155 160.396 -99.267 PRESSAVG: 3975000 29.1899 -6.81999 22.3859 -6.82008 -52.6828 46.3148 22.3859 46.3147 26.1653 GPRESSAVG: 3975000 29.5651 -4.79662 23.3415 -6.49815 -53.0003 44.9682 23.159 48.0288 26.3848 TIMING: 3975000 CPU: 12562.6, 0.00319112/step Wall: 12562.6, 0.00319112/step, 0.908583 hours remaining, 235.722656 MB of memory in use. ENERGY: 3975000 3960.4920 20661.6003 14542.5622 240.0985 -202973.6435 2174.0992 0.0000 0.0000 51988.5783 -109406.2130 298.7791 -161394.7913 -109049.0590 298.8831 -272.5815 -255.6834 760950.1849 0.8908 0.9832 PRESSURE: 3975200 -199.277 -141.18 11.2879 -141.18 -38.7189 -181.487 11.288 -181.486 -435.388 GPRESSURE: 3975200 -218.233 -155.078 -60.9139 -135.042 20.6021 -179.749 78.9877 -128.642 -373.895 PRESSAVG: 3975200 23.0138 -12.7131 -53.5781 -12.7131 -11.8678 2.32472 -53.5781 2.32476 19.6416 GPRESSAVG: 3975200 21.9693 -12.7766 -55.4014 -12.6547 -10.7167 2.77433 -53.9143 1.65445 19.9223 TIMING: 3975200 CPU: 12563.2, 0.00319395/step Wall: 12563.2, 0.00319395/step, 0.909212 hours remaining, 235.722656 MB of memory in use. ENERGY: 3975200 4085.7953 20351.5986 14490.7239 232.4074 -202536.5489 2118.7626 0.0000 0.0000 52094.1842 -109163.0769 299.3860 -161257.2611 -108787.3937 299.3864 -224.4614 -190.5084 759538.0573 10.2625 10.3916 PRESSURE: 3975400 -72.5278 -89.3 -94.0975 -89.3001 -183.025 -10.2757 -94.0969 -10.2774 -836.551 GPRESSURE: 3975400 -122.965 -66.3819 -36.4043 4.1035 -142.714 23.313 -154.401 -128.81 -749.269 PRESSAVG: 3975400 -1.02361 -46.7841 17.6703 -46.7842 0.0406067 50.7107 17.6703 50.7108 -3.93025 GPRESSAVG: 3975400 -0.716748 -47.8173 20.4393 -47.0105 -0.367261 50.9691 16.535 51.2403 -4.35956 TIMING: 3975400 CPU: 12563.9, 0.00319779/step Wall: 12563.9, 0.00319779/step, 0.910127 hours remaining, 235.722656 MB of memory in use. ENERGY: 3975400 3973.0573 20535.0688 14469.8914 241.9219 -202964.0205 2397.2538 0.0000 0.0000 52073.5550 -109273.2722 299.2674 -161346.8272 -108907.6221 299.3884 -364.0344 -338.3160 760677.7707 -1.6377 -1.8145 PRESSURE: 3975600 231.467 -126.519 244.534 -126.52 -39.2428 -64.3928 244.534 -64.3928 142.341 GPRESSURE: 3975600 363.611 -150.513 268.825 -17.6454 -79.8768 -89.0589 86.4906 -117.169 118.759 PRESSAVG: 3975600 10.8385 19.9345 27.5964 19.9344 -16.3027 15.5788 27.5964 15.5787 8.89556 GPRESSAVG: 3975600 10.8591 18.999 25.6263 21.2163 -15.7587 14.9786 30.1322 13.3441 8.33597 TIMING: 3975600 CPU: 12564.5, 0.003183/step Wall: 12564.5, 0.003183/step, 0.90574 hours remaining, 235.722656 MB of memory in use. ENERGY: 3975600 3972.1107 20562.0476 14461.8391 229.5220 -203313.8376 2765.1721 0.0000 0.0000 52016.3845 -109306.7616 298.9389 -161323.1461 -108950.5155 299.0702 111.5215 134.1643 761261.1639 1.1438 1.1454 PRESSURE: 3975800 -15.9066 158.747 -77.0212 158.746 -243.79 97.7416 -77.0211 97.7417 -431.439 GPRESSURE: 3975800 -81.4922 144.478 -65.388 54.4438 -161.008 140.246 1.6409 59.2712 -381.736 PRESSAVG: 3975800 -17.8418 3.76089 -41.1145 3.76096 21.5859 13.5617 -41.1145 13.5617 -5.79363 GPRESSAVG: 3975800 -16.4339 3.59725 -40.4692 3.66128 20.2803 15.6542 -42.1244 12.9435 -5.80126 TIMING: 3975800 CPU: 12565.1, 0.00318651/step Wall: 12565.1, 0.00318651/step, 0.906562 hours remaining, 235.722656 MB of memory in use. ENERGY: 3975800 4011.5055 20378.2264 14505.5790 252.8319 -203164.0102 2485.4621 0.0000 0.0000 52086.7074 -109443.6979 299.3430 -161530.4054 -109080.0805 298.8888 -230.3786 -208.0786 763159.3453 -0.6832 -0.6516 PRESSURE: 3976000 -143.38 47.0241 -9.00375 47.0244 123.652 -10.5799 -9.00382 -10.58 39.3445 GPRESSURE: 3976000 -87.6808 -9.76626 39.6466 95.8201 156.94 -18.4275 -117.996 -74.2082 48.955 PRESSAVG: 3976000 9.09576 -48.3095 6.67874 -48.3095 -13.3696 30.7942 6.67878 30.7941 22.7945 GPRESSAVG: 3976000 8.0083 -46.568 7.3414 -49.7403 -13.3588 27.6333 5.60744 33.59 23.6572 TIMING: 3976000 CPU: 12565.8, 0.00320995/step Wall: 12565.8, 0.00320995/step, 0.913053 hours remaining, 235.722656 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: 3976000 4065.7793 20590.8591 14461.1321 228.8722 -203225.9938 2697.9568 0.0000 0.0000 51943.6694 -109237.7249 298.5210 -161181.3944 -108880.1622 299.4157 6.5387 39.4048 760062.4152 6.1735 6.1022 PRESSURE: 3976200 -146.453 162.409 -44.1012 162.409 91.1621 98.9072 -44.1012 98.906 120.513 GPRESSURE: 3976200 -97.3096 228.864 0.335982 124.38 172.576 48.8739 -110.997 265.327 78.7183 PRESSAVG: 3976200 15.4624 -87.855 22.3721 -87.8549 -19.6845 13.7643 22.3722 13.7643 -5.16658 GPRESSAVG: 3976200 15.6548 -88.5056 22.3315 -86.5784 -19.5579 17.3607 23.3065 11.0945 -6.06288 TIMING: 3976200 CPU: 12566.4, 0.00318853/step Wall: 12566.4, 0.00318853/step, 0.906784 hours remaining, 235.722656 MB of memory in use. ENERGY: 3976200 3970.8842 20503.1613 14540.9765 244.7980 -202792.2842 2489.4102 0.0000 0.0000 51740.7188 -109302.3352 297.3546 -161043.0540 -108941.0097 299.2703 21.7406 51.3282 762301.2175 -3.1296 -3.3220 LDB: ============= START OF LOAD BALANCING ============== 12579 LDB: ============== END OF LOAD BALANCING =============== 12579 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12579 LDB: ============= START OF LOAD BALANCING ============== 12579.3 LDB: Largest compute 7048 load 0.031382 is 16.1% of average load 0.195456 LDB: Average compute 0.004395 is 2.2% of average load 0.195456 LDB: TIME 12579.3 LOAD: AVG 0.195456 MAX 0.217095 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.543 MB LDB: TIME 12579.3 LOAD: AVG 0.195456 MAX 0.217095 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: TIME 12579.3 LOAD: AVG 0.195456 MAX 0.217095 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: ============== END OF LOAD BALANCING =============== 12579.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12579.3 PRESSURE: 3976400 -65.9804 -131.59 -27.2577 -131.59 20.3105 -116.961 -27.2591 -116.961 325.707 GPRESSURE: 3976400 -45.5417 -157.311 42.0773 -184.263 38.7672 -52.7704 -11.7843 77.7169 381.639 PRESSAVG: 3976400 38.9071 -37.9419 21.5134 -37.9419 -30.0609 -22.2878 21.5134 -22.2879 0.416365 GPRESSAVG: 3976400 38.8225 -39.8914 21.4096 -39.0822 -29.7775 -23.5072 20.9262 -20.2645 0.966978 TIMING: 3976400 CPU: 12567.1, 0.00328057/step Wall: 12567.1, 0.00328057/step, 0.932776 hours remaining, 236.335938 MB of memory in use. ENERGY: 3976400 3997.4055 20329.6029 14452.6621 238.4976 -202976.5537 2452.9921 0.0000 0.0000 52215.1905 -109290.2030 300.0814 -161505.3934 -108933.7423 299.1552 93.3456 124.9547 762059.5445 3.0875 3.3373 PRESSURE: 3976600 -202.611 91.3447 89.1866 91.3449 -577.164 220.647 89.1859 220.649 -87.5771 GPRESSURE: 3976600 -218.832 107.672 112.719 64.3813 -459.73 255.601 91.3545 125.02 -96.0015 PRESSAVG: 3976600 53.6094 12.4331 -27.6951 12.433 -75.6192 11.2951 -27.6951 11.2951 -2.61835 GPRESSAVG: 3976600 53.9397 14.3266 -28.7124 11.2218 -75.2544 11.6885 -25.2772 10.106 -3.05422 TIMING: 3976600 CPU: 12567.7, 0.00319317/step Wall: 12567.7, 0.00319317/step, 0.907747 hours remaining, 236.347656 MB of memory in use. ENERGY: 3976600 4036.3511 20510.9832 14453.7940 243.3977 -202716.2158 2317.4982 0.0000 0.0000 51807.4220 -109346.7696 297.7380 -161154.1916 -108988.0844 299.2758 -289.1175 -258.1880 761897.3750 -8.2094 -8.1230 PRESSURE: 3976800 -53.4337 -154.129 -84.4115 -154.129 -21.38 -186.67 -84.4126 -186.669 72.734 GPRESSURE: 3976800 25.0924 -269.406 -195.436 -139.845 -36.7506 -213.902 -26.6917 -186.371 95.7925 PRESSAVG: 3976800 12.3779 -2.39138 55.2271 -2.39136 -35.1368 3.49527 55.2269 3.49513 -14.2615 GPRESSAVG: 3976800 12.8269 -2.96896 56.2097 0.215941 -36.4595 1.88652 53.4195 5.16561 -14.1877 TIMING: 3976800 CPU: 12568.4, 0.00320197/step Wall: 12568.4, 0.00320197/step, 0.910071 hours remaining, 236.550781 MB of memory in use. ENERGY: 3976800 3969.8164 20417.1831 14450.5188 257.5254 -202953.2846 2448.4884 0.0000 0.0000 52101.0825 -109308.6700 299.4256 -161409.7524 -108941.3732 299.1453 -0.6932 28.0448 763171.8646 -12.3401 -12.6068 PRESSURE: 3977000 341.613 77.2776 -125.848 77.2783 -227.671 -162.81 -125.847 -162.81 -335.665 GPRESSURE: 3977000 317.196 104.986 -171.825 -2.1746 -138.794 -161.797 -87.8974 -160.895 -333.736 PRESSAVG: 3977000 50.5414 -47.6933 -22.62 -47.6933 -55.0883 -0.396599 -22.62 -0.396544 -6.03685 GPRESSAVG: 3977000 50.1271 -47.6282 -22.9273 -48.108 -54.6647 -0.125038 -21.4746 -2.15156 -6.00743 TIMING: 3977000 CPU: 12569, 0.00317804/step Wall: 12569, 0.00317804/step, 0.903093 hours remaining, 236.550781 MB of memory in use. ENERGY: 3977000 4039.5074 20436.0284 14402.2712 249.6420 -203412.5373 2752.7352 0.0000 0.0000 51983.5503 -109548.8028 298.7502 -161532.3531 -109189.8089 298.9560 -73.9078 -51.7782 761858.1776 -3.5279 -3.5150 PRESSURE: 3977200 186.889 15.7648 -197.838 15.7641 -9.76153 169.605 -197.838 169.605 205.614 GPRESSURE: 3977200 207.537 28.688 -115.638 -69.1198 68.2875 203.879 -161.899 213.577 171.574 PRESSAVG: 3977200 17.1936 -60.9555 -41.1476 -60.9555 7.97326 9.17186 -41.1476 9.17175 -17.2002 GPRESSAVG: 3977200 16.6108 -59.8432 -41.8476 -60.8854 9.23975 10.3002 -40.2763 8.3547 -17.9009 TIMING: 3977200 CPU: 12569.6, 0.00318431/step Wall: 12569.6, 0.00318431/step, 0.904698 hours remaining, 236.550781 MB of memory in use. ENERGY: 3977200 4044.8858 20329.8005 14487.5793 249.2660 -203517.3315 2767.0251 0.0000 0.0000 52091.2803 -109547.4945 299.3693 -161638.7748 -109191.5750 298.8374 127.5806 149.1329 759637.9658 2.6556 2.6499 PRESSURE: 3977400 129.703 5.94878 78.4148 5.94723 -54.4162 -58.1847 78.4151 -58.184 -181.269 GPRESSURE: 3977400 153.566 -27.7923 178.532 20.034 -10.5643 -70.3701 61.05 -194.296 -161.881 PRESSAVG: 3977400 -28.9653 -26.4744 -8.38501 -26.4744 -2.53589 -51.5565 -8.38505 -51.5564 2.17334 GPRESSAVG: 3977400 -28.5365 -28.5967 -9.48304 -26.7026 -2.78251 -52.7757 -9.64008 -50.7019 2.4685 TIMING: 3977400 CPU: 12570.3, 0.00317442/step Wall: 12570.3, 0.00317442/step, 0.901712 hours remaining, 236.753906 MB of memory in use. ENERGY: 3977400 4031.9956 20416.7742 14531.6081 259.1385 -203344.2115 2725.0427 0.0000 0.0000 51940.4860 -109439.1663 298.5027 -161379.6523 -109076.1782 298.7304 -35.3275 -6.2931 761076.2722 -9.7759 -9.6168 PRESSURE: 3977600 -92.5751 -250.457 -204.092 -250.457 -143.074 201.231 -204.093 201.23 31.3658 GPRESSURE: 3977600 -53.756 -153.983 -330.568 -299.04 -102.893 268.938 27.6516 94.4591 41.4303 PRESSAVG: 3977600 12.999 -28.5855 -19.4742 -28.5855 -4.13299 -19.7543 -19.4742 -19.7543 16.3594 GPRESSAVG: 3977600 13.9322 -26.4962 -16.6367 -29.6866 -5.26448 -19.0265 -20.307 -19.9056 16.3148 TIMING: 3977600 CPU: 12570.9, 0.00318207/step Wall: 12570.9, 0.00318207/step, 0.903709 hours remaining, 236.753906 MB of memory in use. ENERGY: 3977600 3954.8489 20451.9196 14455.2547 241.5431 -202875.0130 2499.6013 0.0000 0.0000 51835.8118 -109436.0336 297.9011 -161271.8454 -109074.8255 298.8019 -68.0943 -38.4061 762184.8686 8.4085 8.3275 PRESSURE: 3977800 209.264 -65.8409 -139.691 -65.8414 151.027 130.497 -139.691 130.497 307.364 GPRESSURE: 3977800 261.751 -82.8023 -107.716 -124.297 128.134 154.969 -72.8614 39.844 363.12 PRESSAVG: 3977800 28.2246 -53.4992 -20.3273 -53.4992 -54.8118 -70.9556 -20.3273 -70.9555 18.6831 GPRESSAVG: 3977800 26.9732 -55.5953 -21.9194 -53.4927 -55.1019 -71.0628 -19.2321 -70.7446 20.2813 TIMING: 3977800 CPU: 12571.5, 0.00316142/step Wall: 12571.5, 0.00316142/step, 0.897668 hours remaining, 236.753906 MB of memory in use. ENERGY: 3977800 4026.2358 20518.9672 14516.3197 242.8964 -203449.9040 2916.7612 0.0000 0.0000 51872.6880 -109356.0358 298.1131 -161228.7238 -109002.6421 298.5423 222.5516 251.0017 762130.9484 -2.6347 -2.6158 PRESSURE: 3978000 123.609 133.642 58.1177 133.643 -111.819 14.8272 58.117 14.8274 44.9775 GPRESSURE: 3978000 188.151 52.9891 94.9885 160.439 -85.6286 20.5773 37.1239 -43.6477 39.0336 PRESSAVG: 3978000 62.9363 -53.0991 -37.3645 -53.0991 -43.1664 -26.7285 -37.3645 -26.7285 25.0683 GPRESSAVG: 3978000 63.1186 -52.4945 -36.5929 -49.1461 -42.2681 -27.1933 -38.626 -28.7851 23.8085 TIMING: 3978000 CPU: 12572.2, 0.00316603/step Wall: 12572.2, 0.00316603/step, 0.8988 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: 3978000 3989.7061 20469.0208 14411.4754 263.1298 -203166.3365 2609.6641 0.0000 0.0000 51884.8272 -109538.5132 298.1828 -161423.3404 -109186.7112 298.8491 18.9224 47.1853 762626.8272 14.9461 14.8863 PRESSURE: 3978200 -340.508 -198.187 251.225 -198.186 -144.28 -187.752 251.226 -187.753 111.344 GPRESSURE: 3978200 -368.445 -126.438 242.857 -166.862 -86.6217 -144.377 222.377 -160.527 173.115 PRESSAVG: 3978200 -16.658 -40.9896 34.7015 -40.9896 -31.7901 -25.1576 34.7015 -25.1575 -16.547 GPRESSAVG: 3978200 -17.4248 -41.5976 35.151 -44.5318 -31.8415 -24.8509 34.0231 -23.7147 -15.8225 TIMING: 3978200 CPU: 12572.8, 0.00319084/step Wall: 12572.8, 0.00319084/step, 0.905666 hours remaining, 236.753906 MB of memory in use. ENERGY: 3978200 3984.8349 20366.8125 14441.2365 244.5166 -202876.0990 2463.6265 0.0000 0.0000 51890.9573 -109484.1147 298.2180 -161375.0720 -109116.4275 298.4667 -124.4812 -93.9838 763650.0710 -21.6650 -21.6963 PRESSURE: 3978400 -106.764 -178.314 -113.459 -178.314 63.2132 -119.599 -113.459 -119.598 -219.158 GPRESSURE: 3978400 -35.7415 -126.933 -67.3139 -110.145 108.538 -139.91 -87.7268 -89.2765 -253.705 PRESSAVG: 3978400 -29.1713 -67.124 -56.6598 -67.124 16.5411 1.14889 -56.6598 1.14896 -16.203 GPRESSAVG: 3978400 -28.0832 -66.2409 -57.6702 -66.2701 16.6283 1.58882 -56.2743 2.64883 -17.998 TIMING: 3978400 CPU: 12573.4, 0.00315624/step Wall: 12573.4, 0.00315624/step, 0.89567 hours remaining, 236.753906 MB of memory in use. ENERGY: 3978400 3960.1853 20483.9741 14508.4494 242.0834 -203017.5141 2579.9356 0.0000 0.0000 52004.7612 -109238.1252 298.8721 -161242.8863 -108886.1239 299.0604 -87.5694 -60.3027 763436.4953 -9.6111 -9.8176 PRESSURE: 3978600 77.3044 -145.712 34.2641 -145.712 -144.203 -49.9682 34.2643 -49.9684 -316.236 GPRESSURE: 3978600 22.1403 -69.2588 19.6606 -137.57 -39.4172 -92.464 84.1811 -142.87 -266.425 PRESSAVG: 3978600 6.74781 -83.8763 -8.02107 -83.8764 -34.6867 -59.7049 -8.02107 -59.7049 0.249324 GPRESSAVG: 3978600 5.63689 -82.9837 -7.82793 -84.3846 -33.6288 -61.0803 -6.17551 -60.3438 0.194466 TIMING: 3978600 CPU: 12574.1, 0.00318296/step Wall: 12574.1, 0.00318296/step, 0.903077 hours remaining, 236.753906 MB of memory in use. ENERGY: 3978600 3946.5191 20491.7315 14433.6935 252.5828 -203032.8835 2668.6844 0.0000 0.0000 51907.4649 -109332.2074 298.3129 -161239.6723 -108978.1563 298.8535 -127.7116 -94.5674 762863.0142 -9.2299 -9.2658 PRESSURE: 3978800 -393.318 -120.262 239.941 -120.262 -15.2049 -251.997 239.941 -251.998 -183.672 GPRESSURE: 3978800 -305.978 -204.382 346.587 -116.485 -7.01923 -252.74 218.226 -255.23 -194.277 PRESSAVG: 3978800 33.9966 -59.9133 -8.98548 -59.9134 -24.9159 45.8216 -8.98549 45.8216 3.44236 GPRESSAVG: 3978800 35.0185 -60.5818 -9.03756 -60.8465 -25.8721 46.2509 -9.76465 42.7251 3.27587 TIMING: 3978800 CPU: 12574.7, 0.00316951/step Wall: 12574.7, 0.00316951/step, 0.899085 hours remaining, 236.753906 MB of memory in use. ENERGY: 3978800 4009.4238 20305.1931 14565.2694 249.6282 -202902.9245 2484.0553 0.0000 0.0000 52119.7560 -109169.5987 299.5330 -161289.3548 -108808.5839 298.6258 -197.3982 -169.0914 762359.9205 4.1743 4.1407 PRESSURE: 3979000 -99.2892 -183.745 178.645 -183.746 22.1811 -54.8655 178.646 -54.8662 -46.0809 GPRESSURE: 3979000 -112.428 -154.537 170.944 -133.493 99.2962 -124.884 104.103 91.9858 -27.7662 PRESSAVG: 3979000 52.6759 -59.8748 -12.7029 -59.8748 -45.318 5.42822 -12.7029 5.42823 -10.9004 GPRESSAVG: 3979000 53.1848 -58.4426 -10.9654 -60.8296 -45.029 6.70066 -14.4283 7.60719 -11.5586 TIMING: 3979000 CPU: 12575.3, 0.00318104/step Wall: 12575.3, 0.00318104/step, 0.90218 hours remaining, 236.753906 MB of memory in use. ENERGY: 3979000 3992.7583 20541.6319 14470.8756 241.6479 -203150.9611 2517.7584 0.0000 0.0000 52056.3339 -109329.9552 299.1685 -161386.2891 -108981.4262 299.1782 -41.0630 -13.6326 760368.6771 -1.1808 -1.1343 PRESSURE: 3979200 204.587 -217.001 33.6977 -217.001 101.33 101.549 33.6977 101.548 186.704 GPRESSURE: 3979200 186.365 -163.994 -211.421 -277.358 207.287 120.575 103.809 47.0217 191.494 PRESSAVG: 3979200 13.4551 -41.6731 -26.441 -41.673 -8.57055 23.6723 -26.441 23.6722 -4.86574 GPRESSAVG: 3979200 12.7785 -43.0444 -27.8159 -41.1568 -8.95059 23.5178 -25.7259 23.5414 -3.43082 TIMING: 3979200 CPU: 12576, 0.0031553/step Wall: 12576, 0.00315531/step, 0.894704 hours remaining, 236.753906 MB of memory in use. ENERGY: 3979200 3960.6314 20443.6010 14516.6017 264.8571 -203074.1630 2650.2981 0.0000 0.0000 51783.4931 -109454.6806 297.6004 -161238.1737 -109095.3186 298.7023 164.2071 195.0484 760400.3269 0.0063 0.1324 PRESSURE: 3979400 -153.165 184.391 228.889 184.392 103.86 -119.215 228.89 -119.215 -138.814 GPRESSURE: 3979400 -45.6126 143.228 83.0829 231.375 61.178 -111.413 233.866 -150.568 -127.262 PRESSAVG: 3979400 7.81712 -1.49197 -40.7777 -1.49194 3.68817 -10.2158 -40.7777 -10.2157 -9.16295 GPRESSAVG: 3979400 7.78734 -2.65724 -39.568 -0.261939 3.90445 -10.918 -40.5649 -10.2113 -9.65523 TIMING: 3979400 CPU: 12576.6, 0.00316894/step Wall: 12576.6, 0.00316894/step, 0.898396 hours remaining, 236.753906 MB of memory in use. ENERGY: 3979400 3944.8671 20550.3154 14530.6013 273.5901 -203405.4287 2828.4724 0.0000 0.0000 51853.4671 -109424.1153 298.0026 -161277.5824 -109072.0509 299.2217 -62.7062 -37.2321 760464.9696 0.7808 0.6789 PRESSURE: 3979600 454.585 50.9009 -47.3341 50.9008 355.845 205.416 -47.3349 205.415 198.703 GPRESSURE: 3979600 497.773 116.217 -14.7385 -51.6143 294.483 257.983 -39.333 96.9212 283.332 PRESSAVG: 3979600 -21.6142 27.681 46.0513 27.681 -1.56727 0.886846 46.0513 0.886895 2.60771 GPRESSAVG: 3979600 -21.9722 25.5846 45.7803 26.5781 -1.44587 0.647496 45.2185 0.88685 3.07193 TIMING: 3979600 CPU: 12577.2, 0.0031661/step Wall: 12577.2, 0.0031661/step, 0.897414 hours remaining, 236.753906 MB of memory in use. ENERGY: 3979600 3948.4630 20429.3106 14454.7972 246.9448 -203303.9784 2608.9278 0.0000 0.0000 52068.2781 -109547.2568 299.2371 -161615.5349 -109173.0575 299.1337 336.3775 358.5296 762158.4133 -6.8579 -6.7821 PRESSURE: 3979800 -130.227 -73.4332 182.94 -73.4329 -324.28 60.4133 182.94 60.4125 -60.7443 GPRESSURE: 3979800 -158.5 -76.5775 140.838 0.806761 -272.559 115.966 149.515 -2.11621 -1.79082 PRESSAVG: 3979800 5.15124 -13.4724 -52.728 -13.4723 -3.90106 13.4308 -52.7279 13.4307 -10.9822 GPRESSAVG: 3979800 4.72921 -9.90197 -52.9425 -11.9384 -3.22356 13.5116 -50.4368 13.6919 -11.1977 TIMING: 3979800 CPU: 12577.9, 0.00317308/step Wall: 12577.9, 0.00317308/step, 0.899215 hours remaining, 236.753906 MB of memory in use. ENERGY: 3979800 3958.2355 20597.9078 14433.5684 285.9052 -203400.4107 2596.3343 0.0000 0.0000 51748.1993 -109780.2601 297.3976 -161528.4594 -109414.8793 298.7247 -171.7502 -144.2832 763025.0285 -3.2440 -3.2307 PRESSURE: 3980000 309.768 160.956 83.4704 160.956 88.5026 138.917 83.4699 138.916 52.8041 GPRESSURE: 3980000 345.037 176.748 33.375 239.941 49.1678 93.0897 60.4457 -52.4669 126.062 PRESSAVG: 3980000 39.2154 5.79768 -3.90745 5.79762 -23.4129 -27.232 -3.90752 -27.232 -15.0978 GPRESSAVG: 3980000 39.2374 7.9094 -3.85624 4.96059 -22.9982 -30.235 -3.99236 -26.0124 -14.8049 TIMING: 3980000 CPU: 12578.5, 0.00318202/step Wall: 12578.5, 0.00318202/step, 0.901573 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: 3980000 3896.7270 20400.7480 14442.4888 256.1916 -203756.0227 2696.7278 0.0000 0.0000 52048.4664 -110014.6731 299.1233 -162063.1395 -109662.9344 297.9860 150.3582 173.4224 760690.0238 0.2349 0.4781 PRESSURE: 3980200 172.291 89.0181 -160.665 89.019 -241.168 -56.8462 -160.665 -56.8462 -148.622 GPRESSURE: 3980200 196.211 101.084 -163.092 107.49 -218.023 -61.7669 -206.256 6.20686 -120.242 PRESSAVG: 3980200 24.6193 11.5096 -27.507 11.5096 -3.36069 -17.4906 -27.5071 -17.4906 1.12135 GPRESSAVG: 3980200 25.0912 8.01461 -29.6643 10.2373 -4.62518 -14.5802 -28.8653 -17.8381 1.35881 TIMING: 3980200 CPU: 12579.1, 0.0031732/step Wall: 12579.1, 0.0031732/step, 0.898897 hours remaining, 236.753906 MB of memory in use. ENERGY: 3980200 3986.9408 20406.0443 14458.3887 259.8114 -203081.1289 2420.3398 0.0000 0.0000 51662.0392 -109887.5648 296.9024 -161549.6040 -109528.4113 298.3891 -72.5000 -47.3512 761720.1156 7.4600 7.2750 LDB: ============= START OF LOAD BALANCING ============== 12591.7 LDB: ============== END OF LOAD BALANCING =============== 12591.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12591.7 LDB: ============= START OF LOAD BALANCING ============== 12592 LDB: Largest compute 7076 load 0.031564 is 16.1% of average load 0.195542 LDB: Average compute 0.004397 is 2.2% of average load 0.195542 LDB: TIME 12592 LOAD: AVG 0.195542 MAX 0.21502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.09 MB LDB: TIME 12592 LOAD: AVG 0.195542 MAX 0.21502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.293 MB LDB: TIME 12592 LOAD: AVG 0.195542 MAX 0.21502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.293 MB LDB: ============== END OF LOAD BALANCING =============== 12592 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12592 PRESSURE: 3980400 -232.374 26.2222 124.675 26.2222 12.5635 -108.008 124.675 -108.009 -297.659 GPRESSURE: 3980400 -118.721 45.637 85.6769 32.2257 -35.7662 -142.486 219.943 -203.476 -259.453 PRESSAVG: 3980400 0.198995 44.3866 -23.569 44.3867 9.75218 -17.521 -23.569 -17.521 2.4824 GPRESSAVG: 3980400 1.16339 46.0446 -21.523 45.9462 9.69079 -18.0998 -21.215 -19.9454 1.13135 TIMING: 3980400 CPU: 12579.8, 0.00325445/step Wall: 12579.8, 0.00325445/step, 0.921732 hours remaining, 236.410156 MB of memory in use. ENERGY: 3980400 3988.0638 20257.4198 14503.1271 243.1692 -203140.0616 2704.6812 0.0000 0.0000 51689.2341 -109754.3664 297.0587 -161443.6006 -109378.9361 298.3009 -172.4898 -137.9801 763527.5771 4.1445 3.9952 PRESSURE: 3980600 67.2879 -129.244 -134.062 -129.245 102.235 -18.4824 -134.062 -18.4829 -55.6529 GPRESSURE: 3980600 24.8787 -71.6923 -95.0504 34.8371 212.327 3.00297 -189.227 -50.4615 -15.7309 PRESSAVG: 3980600 -49.7413 -31.5646 -20.3225 -31.5646 20.4089 1.59467 -20.3225 1.59467 -10.9734 GPRESSAVG: 3980600 -51.2994 -31.8951 -21.0824 -29.4019 21.9998 1.39906 -21.9953 2.59656 -9.93394 TIMING: 3980600 CPU: 12580.4, 0.00316256/step Wall: 12580.4, 0.00316256/step, 0.895531 hours remaining, 236.554688 MB of memory in use. ENERGY: 3980600 3964.0111 20377.3011 14449.1572 265.9685 -203325.1155 2645.5049 0.0000 0.0000 52077.7708 -109545.4018 299.2917 -161623.1726 -109175.5834 298.3520 37.9567 73.8249 762331.7584 -13.4352 -13.0779 PRESSURE: 3980800 -90.4521 -42.7864 -21.1213 -42.7873 -3.31405 97.1817 -21.1211 97.1829 -308.928 GPRESSURE: 3980800 -35.9421 -48.179 -29.0309 35.2823 31.291 92.4449 12.7092 40.0121 -320.115 PRESSAVG: 3980800 -74.38 -42.4309 -53.5977 -42.4309 8.0038 -24.9573 -53.5977 -24.9573 36.2628 GPRESSAVG: 3980800 -72.927 -43.205 -54.1866 -43.8178 6.86363 -24.8416 -51.8591 -24.5665 36.014 TIMING: 3980800 CPU: 12581.1, 0.00317789/step Wall: 12581.1, 0.00317789/step, 0.899697 hours remaining, 236.554688 MB of memory in use. ENERGY: 3980800 4041.4001 20415.4799 14460.3702 269.5009 -203082.1235 2526.1670 0.0000 0.0000 51973.0103 -109396.1951 298.6896 -161369.2054 -109027.8387 298.9119 -134.2315 -108.2553 761748.1208 -10.0378 -10.0164 PRESSURE: 3981000 299.46 27.425 -26.1655 27.4242 152.431 -81.4306 -26.1658 -81.4311 459.111 GPRESSURE: 3981000 425.99 129.479 25.5456 -1.09126 147.763 -176.615 -55.512 106.074 415.427 PRESSAVG: 3981000 -48.2467 5.92228 -24.007 5.92232 44.9728 10.618 -24.007 10.618 -14.3829 GPRESSAVG: 3981000 -48.7052 5.0896 -25.0393 6.06029 45.8593 11.1041 -26.3842 12.5421 -15.5022 TIMING: 3981000 CPU: 12581.7, 0.00317592/step Wall: 12581.7, 0.00317592/step, 0.89896 hours remaining, 236.777344 MB of memory in use. ENERGY: 3981000 4006.6986 20514.3629 14369.9823 251.1268 -203558.7476 3142.3642 0.0000 0.0000 51877.3650 -109396.8477 298.1399 -161274.2127 -109027.4271 298.6134 303.6674 329.7269 762972.8542 -5.8856 -6.1160 PRESSURE: 3981200 -73.1933 -122.704 -218.688 -122.704 63.0089 -201.346 -218.687 -201.346 -329.576 GPRESSURE: 3981200 -26.6889 -20.1622 -278.51 -125.533 76.0739 -232.862 -221.651 -240.407 -318.81 PRESSAVG: 3981200 22.1625 20.6994 6.20751 20.6995 1.25341 -38.4993 6.20755 -38.4993 -1.69478 GPRESSAVG: 3981200 20.331 21.4353 6.81172 21.1125 2.19179 -39.6082 6.88115 -39.0928 -0.866098 TIMING: 3981200 CPU: 12582.3, 0.00317395/step Wall: 12582.3, 0.00317395/step, 0.898228 hours remaining, 236.777344 MB of memory in use. ENERGY: 3981200 3966.8923 20467.0597 14465.4960 228.9413 -202927.4803 2378.1382 0.0000 0.0000 51947.0066 -109473.9462 298.5402 -161420.9528 -109115.7198 298.9457 -113.2533 -89.8083 762427.8748 7.2404 7.2189 PRESSURE: 3981400 -146.969 -285.106 -68.7961 -285.106 -248.067 112.841 -68.7961 112.842 -12.7689 GPRESSURE: 3981400 -130.979 -263.427 -24.466 -246.871 -139.594 88.5599 5.75319 202.743 -65.511 PRESSAVG: 3981400 -41.4297 -18.5143 -71.3269 -18.5143 20.5047 25.0849 -71.3269 25.0849 -17.264 GPRESSAVG: 3981400 -40.8736 -18.6555 -69.254 -18.5511 21.3063 26.5002 -71.5027 23.6309 -18.3201 TIMING: 3981400 CPU: 12583, 0.00315126/step Wall: 12583, 0.00315126/step, 0.891631 hours remaining, 236.777344 MB of memory in use. ENERGY: 3981400 4103.8266 20340.5323 14492.7253 237.8656 -202934.9681 2401.9658 0.0000 0.0000 51926.8139 -109431.2387 298.4241 -161358.0526 -109078.4391 298.8292 -135.9351 -112.0281 761624.7835 -12.7297 -12.6291 PRESSURE: 3981600 -303.823 -28.115 -85.763 -28.1148 8.13206 134.847 -85.7636 134.846 -475.738 GPRESSURE: 3981600 -260.407 -81.2296 -123.398 14.0755 35.8254 56.6874 -82.0444 65.076 -441.084 PRESSAVG: 3981600 2.96439 -108.007 -24.239 -108.007 16.4421 6.12723 -24.239 6.12731 22.5381 GPRESSAVG: 3981600 4.16151 -106.409 -25.2355 -109.388 13.9621 5.20272 -25.3012 4.47798 23.9653 TIMING: 3981600 CPU: 12583.6, 0.00316886/step Wall: 12583.6, 0.00316886/step, 0.896435 hours remaining, 236.777344 MB of memory in use. ENERGY: 3981600 3993.0115 20398.5151 14424.7672 230.4243 -203185.4819 2602.6024 0.0000 0.0000 52179.9334 -109356.2280 299.8788 -161536.1614 -108991.0087 298.7687 -257.1429 -221.8883 761955.9546 13.9815 14.0296 PRESSURE: 3981800 -33.6774 -112.626 28.5435 -112.626 -225.741 96.7747 28.5427 96.7747 -356.958 GPRESSURE: 3981800 -91.1086 41.5025 13.9985 -11.7868 -102.972 -82.4791 -10.3877 216.534 -368.408 PRESSAVG: 3981800 -37.9131 -8.03026 17.36 -8.03028 -2.83418 22.1726 17.36 22.1726 7.67016 GPRESSAVG: 3981800 -37.5308 -10.3859 17.0715 -6.42764 -2.59017 22.3512 18.1013 25.2104 7.20415 TIMING: 3981800 CPU: 12584.2, 0.00316644/step Wall: 12584.2, 0.00316644/step, 0.895574 hours remaining, 236.777344 MB of memory in use. ENERGY: 3981800 3963.8879 20495.7952 14453.4536 240.4696 -202979.2059 2528.9306 0.0000 0.0000 51851.7429 -109444.9262 297.9927 -161296.6691 -109091.4640 298.9152 -205.4590 -187.4961 763321.7934 -11.0257 -10.9723 PRESSURE: 3982000 -253.923 -111.811 -111.27 -111.81 20.7621 -9.85209 -111.269 -9.85186 -247.254 GPRESSURE: 3982000 -129.266 -143.389 -74.764 -17.5723 -63.6968 114.021 -206.685 -108.951 -211.22 PRESSAVG: 3982000 -11.0475 38.3561 -11.447 38.3561 -4.87192 5.21103 -11.447 5.21109 -27.9483 GPRESSAVG: 3982000 -12.6202 39.2145 -12.3521 37.3515 -4.22007 5.67188 -10.1461 3.98893 -27.6332 TIMING: 3982000 CPU: 12584.9, 0.00318531/step Wall: 12584.9, 0.00318531/step, 0.900736 hours remaining, 236.882812 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: 3982000 4019.6914 20322.7417 14502.0341 252.3835 -202681.0158 2179.9974 0.0000 0.0000 52071.6837 -109332.4839 299.2567 -161404.1676 -108968.9775 298.9047 -160.1383 -134.7276 761955.4144 -14.6226 -14.8245 PRESSURE: 3982200 224.7 151.456 -145.346 151.456 8.42916 107.643 -145.347 107.644 87.4206 GPRESSURE: 3982200 237.606 116.463 -55.3599 118.581 173.388 157.235 -212.556 18.4735 -7.41162 PRESSAVG: 3982200 22.3664 -37.3335 3.13948 -37.3334 18.4023 -22.0455 3.13946 -22.0455 23.4679 GPRESSAVG: 3982200 23.6255 -37.4358 5.23169 -37.5915 18.0459 -23.5962 2.32618 -22.7012 22.5962 TIMING: 3982200 CPU: 12585.5, 0.00319433/step Wall: 12585.5, 0.00319433/step, 0.903107 hours remaining, 236.882812 MB of memory in use. ENERGY: 3982200 3951.5046 20288.1623 14498.6177 253.7314 -202696.1337 2295.3571 0.0000 0.0000 52140.6058 -109268.1547 299.6528 -161408.7605 -108897.0043 299.0543 106.8499 134.5273 761115.2058 21.4122 21.4225 PRESSURE: 3982400 39.1462 -284.718 -122.584 -284.717 -400.453 1.01946 -122.584 1.02038 -307.333 GPRESSURE: 3982400 8.03851 -251.45 -46.9178 -393.058 -316.017 26.2314 -188.554 88.4466 -287.628 PRESSAVG: 3982400 -20.0109 -58.6305 13.8154 -58.6305 11.9633 -62.3722 13.8154 -62.3723 -13.2761 GPRESSAVG: 3982400 -20.5723 -57.1905 13.9162 -58.0164 11.6543 -61.6527 14.3131 -62.6279 -12.6628 TIMING: 3982400 CPU: 12586.2, 0.00321077/step Wall: 12586.2, 0.00321077/step, 0.907579 hours remaining, 236.882812 MB of memory in use. ENERGY: 3982400 3994.6716 20342.2661 14493.1253 256.2880 -203082.5983 2554.7504 0.0000 0.0000 52142.1451 -109299.3518 299.6616 -161441.4970 -108948.4343 298.6707 -222.8801 -198.5354 762103.0175 -7.1079 -7.1936 PRESSURE: 3982600 66.6214 -37.9263 -0.834023 -37.9271 167.899 -93.0007 -0.833943 -92.9998 270.526 GPRESSURE: 3982600 145.134 -77.0449 -15.8652 73.4459 194.108 -124.247 -50.0147 -90.8826 283.975 PRESSAVG: 3982600 -24.0598 -14.1567 -12.4452 -14.1568 -28.9462 -61.8743 -12.4452 -61.8743 -10.2701 GPRESSAVG: 3982600 -23.774 -16.1429 -12.8747 -12.792 -27.8331 -62.3907 -13.2446 -62.5681 -10.9364 TIMING: 3982600 CPU: 12586.8, 0.00321342/step Wall: 12586.8, 0.00321342/step, 0.908148 hours remaining, 236.882812 MB of memory in use. ENERGY: 3982600 4077.1040 20427.4086 14407.7672 235.1165 -202654.9500 2485.7931 0.0000 0.0000 51884.1036 -109137.6570 298.1787 -161021.7607 -108785.4839 298.8579 168.3487 207.7395 762369.3529 -21.0920 -20.8478 PRESSURE: 3982800 -224.342 30.508 151.333 30.5077 37.5551 95.8636 151.334 95.8641 -135.218 GPRESSURE: 3982800 -213.774 65.5846 92.61 30.7015 63.594 53.7044 208.366 26.2333 -99.2611 PRESSAVG: 3982800 -41.882 -17.3957 -4.82834 -17.3957 49.7968 -60.3563 -4.82837 -60.3563 10.924 GPRESSAVG: 3982800 -42.4645 -15.7404 -4.68902 -19.7751 49.4857 -60.7776 -4.54738 -59.6575 12.0009 TIMING: 3982800 CPU: 12587.4, 0.00317647/step Wall: 12587.4, 0.00317647/step, 0.897528 hours remaining, 236.882812 MB of memory in use. ENERGY: 3982800 3911.1292 20422.3565 14474.8721 233.8451 -202360.4752 2131.0426 0.0000 0.0000 52077.8194 -109109.4104 299.2919 -161187.2298 -108742.8453 299.2924 -107.3349 -83.1471 762058.7214 6.2796 6.3407 PRESSURE: 3983000 450.097 -128.869 -7.34696 -128.87 244.962 -133.591 -7.34682 -133.59 -37.4149 GPRESSURE: 3983000 438.426 -27.8682 11.6 -120.62 307.111 -71.0788 54.8275 -143.502 -6.18946 PRESSAVG: 3983000 -6.60121 -20.4791 -22.9952 -20.4791 29.3501 1.59306 -22.9952 1.59308 -9.53007 GPRESSAVG: 3983000 -7.317 -22.6018 -23.0173 -17.3016 29.3108 4.30362 -21.3082 2.61074 -8.94983 TIMING: 3983000 CPU: 12588.1, 0.00318914/step Wall: 12588.1, 0.00318914/step, 0.900931 hours remaining, 236.882812 MB of memory in use. ENERGY: 3983000 3952.8527 20410.2984 14506.2386 251.4762 -203183.6282 2643.5613 0.0000 0.0000 52167.7314 -109251.4697 299.8087 -161419.2011 -108896.0796 298.5934 219.2144 246.4493 760899.0187 4.4063 4.3480 PRESSURE: 3983200 -190.397 -130.166 -124.388 -130.166 70.2766 -269.583 -124.387 -269.584 -237.285 GPRESSURE: 3983200 -239.13 -195.097 -98.7735 -71.4092 144.814 -226.483 -48.4682 -296.09 -176.122 PRESSAVG: 3983200 -40.8348 -1.33284 -63.3791 -1.33284 35.4685 -54.3147 -63.3791 -54.3148 -12.7937 GPRESSAVG: 3983200 -39.6216 -0.296655 -62.9036 -3.26782 35.3399 -56.3337 -64.355 -54.533 -13.4681 TIMING: 3983200 CPU: 12588.7, 0.00318004/step Wall: 12588.7, 0.00318004/step, 0.898184 hours remaining, 236.882812 MB of memory in use. ENERGY: 3983200 3999.1333 20456.1486 14514.1443 244.5895 -202471.6893 2220.9647 0.0000 0.0000 51817.5807 -109219.1281 297.7963 -161036.7089 -108863.2006 299.5009 -119.1349 -90.1458 762393.4105 -6.0533 -5.9166 PRESSURE: 3983400 -23.1593 67.6015 -29.7461 67.6016 77.9998 6.00344 -29.7462 6.00399 208.891 GPRESSURE: 3983400 -18.6688 -4.10219 -43.4779 140.521 108.822 -39.3609 -22.757 7.92285 266.016 PRESSAVG: 3983400 -44.9752 -2.31136 -14.8551 -2.3114 20.3466 -51.6494 -14.855 -51.6494 -5.71874 GPRESSAVG: 3983400 -45.8819 -3.29588 -17.417 -1.42742 20.8427 -51.2598 -13.4153 -52.5791 -5.64407 TIMING: 3983400 CPU: 12589.3, 0.00316381/step Wall: 12589.3, 0.00316381/step, 0.893426 hours remaining, 236.882812 MB of memory in use. ENERGY: 3983400 3920.7898 20429.4608 14532.3505 247.6907 -202556.1543 2424.1685 0.0000 0.0000 52067.2322 -108934.4618 299.2311 -161001.6941 -108567.6637 299.1987 87.9105 118.7233 764140.7308 -10.1158 -10.2278 PRESSURE: 3983600 213.489 -282.501 -3.8957 -282.501 -19.7539 -163.12 -3.89425 -163.119 321.426 GPRESSURE: 3983600 289.688 -142.974 -53.2241 -291.528 22.005 -195.605 -104.194 -136.317 287.423 PRESSAVG: 3983600 55.3891 -17.897 18.9946 -17.897 4.90653 -74.9143 18.9946 -74.9143 -20.0032 GPRESSAVG: 3983600 55.4159 -16.0111 19.8843 -17.1343 4.59977 -73.0976 16.0193 -76.4658 -19.8202 TIMING: 3983600 CPU: 12590, 0.00319755/step Wall: 12590, 0.00319755/step, 0.902776 hours remaining, 236.882812 MB of memory in use. ENERGY: 3983600 3998.9814 20693.1981 14553.7007 265.1803 -202971.4796 2682.9935 0.0000 0.0000 52135.7083 -108641.7172 299.6246 -160777.4255 -108291.9735 299.6239 171.7202 199.7053 761404.0019 13.4308 13.3985 PRESSURE: 3983800 142.55 -48.7358 61.9502 -48.7347 -248.747 101.894 61.9502 101.894 38.8942 GPRESSURE: 3983800 225.7 -109.538 168.42 -93.7493 -192.7 83.5718 -21.7595 142.833 -5.57434 PRESSAVG: 3983800 33.8885 -0.814121 86.6978 -0.814141 -75.0133 23.7878 86.6978 23.7878 13.0642 GPRESSAVG: 3983800 36.6462 -3.37314 87.9265 -0.136169 -75.8791 21.1735 88.5602 24.1944 11.4038 TIMING: 3983800 CPU: 12590.6, 0.00318761/step Wall: 12590.6, 0.0031876/step, 0.89979 hours remaining, 236.882812 MB of memory in use. ENERGY: 3983800 4011.5544 20402.7504 14476.4626 258.9074 -202606.2245 2540.5650 0.0000 0.0000 52212.3015 -108703.6834 300.0648 -160915.9848 -108342.3347 299.9999 -22.4345 9.1420 763167.3509 -9.3535 -9.2764 PRESSURE: 3984000 202.083 88.9532 -65.9058 88.9527 -262.386 164.781 -65.9052 164.78 6.65324 GPRESSURE: 3984000 243.748 56.0217 -56.4393 102.678 -185.399 212.819 48.939 179.311 -35.6289 PRESSAVG: 3984000 44.1445 -25.6108 -47.7926 -25.6107 -33.9994 -30.1077 -47.7925 -30.1078 12.7316 GPRESSAVG: 3984000 42.5655 -23.4235 -48.6131 -28.8094 -33.3312 -28.2716 -46.5008 -29.7744 13.4361 TIMING: 3984000 CPU: 12591.3, 0.00319598/step Wall: 12591.3, 0.00319598/step, 0.901977 hours remaining, 236.882812 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: 3984000 3969.1757 20565.2160 14459.8398 253.1199 -202705.0930 2602.4415 0.0000 0.0000 52208.3420 -108646.9580 300.0421 -160855.3001 -108291.1673 299.9523 -17.8831 7.5736 764440.2108 7.6256 7.5568 PRESSURE: 3984200 128.048 -219.563 113.941 -219.562 -42.653 -129.439 113.941 -129.44 -343.618 GPRESSURE: 3984200 125.306 -146.883 100.622 -129.306 9.38077 -119.739 72.7326 -15.0909 -312.323 PRESSAVG: 3984200 -15.2632 -59.8215 28.8268 -59.8215 27.7186 15.4714 28.8268 15.4714 -3.546 GPRESSAVG: 3984200 -15.9392 -60.385 29.5 -57.8413 28.3963 14.1538 27.0615 15.3852 -3.21986 TIMING: 3984200 CPU: 12591.9, 0.00319884/step Wall: 12591.9, 0.00319884/step, 0.902605 hours remaining, 236.867188 MB of memory in use. ENERGY: 3984200 4031.4335 20430.8353 14490.9137 233.1363 -203056.4303 2524.5640 0.0000 0.0000 52580.9595 -108764.5880 302.1835 -161345.5475 -108390.2312 300.0538 -86.0744 -59.2123 761457.3108 2.9698 3.0791 LDB: ============= START OF LOAD BALANCING ============== 12604.4 LDB: ============== END OF LOAD BALANCING =============== 12604.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12604.4 LDB: ============= START OF LOAD BALANCING ============== 12604.8 LDB: Largest compute 7076 load 0.031803 is 16.3% of average load 0.195671 LDB: Average compute 0.004400 is 2.2% of average load 0.195671 LDB: TIME 12604.8 LOAD: AVG 0.195671 MAX 0.215435 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 12604.8 LOAD: AVG 0.195671 MAX 0.215435 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: TIME 12604.8 LOAD: AVG 0.195671 MAX 0.215435 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.113 MB LDB: ============== END OF LOAD BALANCING =============== 12604.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12604.8 PRESSURE: 3984400 -52.2551 101.851 16.1531 101.852 241.649 92.4117 16.1525 92.4111 46.7439 GPRESSURE: 3984400 -54.4092 107.103 -29.4845 49.2271 237.881 75.14 18.9742 -4.91122 107.791 PRESSAVG: 3984400 0.270982 -60.8207 5.17614 -60.8208 -10.6349 -36.4634 5.17614 -36.4633 1.56135 GPRESSAVG: 3984400 1.8568 -58.6943 5.85635 -60.6393 -11.7983 -36.001 3.7543 -37.1283 1.43413 TIMING: 3984400 CPU: 12592.5, 0.00327705/step Wall: 12592.5, 0.00327705/step, 0.924493 hours remaining, 236.570312 MB of memory in use. ENERGY: 3984400 3962.1140 20507.6353 14467.6851 239.1071 -203410.2265 2656.9386 0.0000 0.0000 52420.6678 -109156.0786 301.2623 -161576.7464 -108792.2903 300.0225 78.7127 97.0876 760817.1153 -2.9342 -2.8358 PRESSURE: 3984600 -292.307 -110.921 -170.926 -110.921 -2.02042 -60.5428 -170.925 -60.5429 -31.9947 GPRESSURE: 3984600 -198.108 -76.1002 -176.7 -124.884 -44.8044 -3.78358 -191.22 76.0543 5.45825 PRESSAVG: 3984600 11.7096 -71.8528 -43.91 -71.8529 -47.3696 8.50715 -43.91 8.50712 -11.2127 GPRESSAVG: 3984600 12.5858 -74.3522 -44.5677 -72.2772 -48.3975 10.3994 -41.5855 6.60301 -10.6816 TIMING: 3984600 CPU: 12593.2, 0.00318874/step Wall: 12593.2, 0.00318874/step, 0.899403 hours remaining, 237.031250 MB of memory in use. ENERGY: 3984600 3994.0004 20481.2676 14411.9736 238.9109 -203077.2365 2560.7342 0.0000 0.0000 52148.1986 -109242.1514 299.6964 -161390.3500 -108887.0792 299.4097 -108.7741 -79.1515 761149.5232 -15.6242 -15.4978 PRESSURE: 3984800 -314.949 -26.1666 -38.6669 -26.1656 259.939 -162.27 -38.6671 -162.27 -146.979 GPRESSURE: 3984800 -209.768 -39.3325 36.8516 9.70131 189.2 -195.155 -40.1713 -222.77 -97.6386 PRESSAVG: 3984800 -0.323137 -37.8069 -23.5998 -37.8069 25.9846 -27.6915 -23.5998 -27.6915 -15.0347 GPRESSAVG: 3984800 -0.00516579 -36.181 -23.2048 -38.0427 24.9353 -29.0589 -25.8358 -23.8512 -14.0938 TIMING: 3984800 CPU: 12593.8, 0.00319491/step Wall: 12593.8, 0.00319491/step, 0.900963 hours remaining, 237.031250 MB of memory in use. ENERGY: 3984800 3919.4556 20448.6913 14409.2485 258.6749 -203005.4809 2614.8624 0.0000 0.0000 52093.8136 -109260.7345 299.3839 -161354.5481 -108897.7572 298.5096 -67.3297 -39.4024 762101.2642 3.5423 3.6121 PRESSURE: 3985000 -164.922 -12.1153 -45.2614 -12.1148 -264.687 4.79706 -45.2607 4.79768 433.754 GPRESSURE: 3985000 -74.6867 -65.0691 -25.5185 -87.3429 -250.81 -26.5994 70.1045 -68.113 430.788 PRESSAVG: 3985000 20.2161 -34.124 -15.8349 -34.1239 -22.5393 -31.9051 -15.8349 -31.9051 -8.91174 GPRESSAVG: 3985000 19.017 -37.042 -16.9713 -34.105 -21.1442 -32.4033 -15.2507 -31.7184 -9.15149 TIMING: 3985000 CPU: 12594.5, 0.00322243/step Wall: 12594.5, 0.00322243/step, 0.908546 hours remaining, 237.031250 MB of memory in use. ENERGY: 3985000 4068.2516 20371.9844 14559.1138 242.8106 -202890.6275 2579.0763 0.0000 0.0000 51827.0119 -109242.3788 297.8505 -161069.3907 -108879.4762 298.5775 1.3815 35.0969 762808.6915 -3.7450 -3.7595 PRESSURE: 3985200 -7.06102 45.5201 -62.443 45.5195 -226.755 -232.554 -62.4428 -232.555 -309.021 GPRESSURE: 3985200 73.1285 41.9353 -87.0122 9.36253 -233.966 -265.749 -80.9903 -139.13 -293.843 PRESSAVG: 3985200 31.7362 -5.15331 20.1186 -5.15324 6.54151 12.5663 20.1186 12.5664 0.378292 GPRESSAVG: 3985200 32.3733 -3.35297 20.4421 -6.99681 7.03385 12.5134 21.9829 11.4951 -0.489133 TIMING: 3985200 CPU: 12595.1, 0.00320605/step Wall: 12595.1, 0.00320605/step, 0.90375 hours remaining, 237.031250 MB of memory in use. ENERGY: 3985200 4041.1426 20284.5792 14523.4999 243.6174 -203323.8006 2755.0262 0.0000 0.0000 52130.5332 -109345.4021 299.5949 -161475.9353 -108980.9745 298.9796 -180.9457 -151.5602 762741.5682 12.8853 12.9727 PRESSURE: 3985400 -100.641 -91.1735 -285.704 -91.1733 -25.906 -104.873 -285.704 -104.873 -247.196 GPRESSURE: 3985400 -93.6628 7.82212 -294.811 -100.207 7.07872 -48.6129 -354.58 75.4368 -207.139 PRESSAVG: 3985400 52.033 -12.6318 2.72536 -12.6319 -51.9497 -45.9713 2.72533 -45.9713 -15.2291 GPRESSAVG: 3985400 51.422 -11.2156 2.32843 -10.1136 -51.5596 -43.9886 0.769364 -48.6371 -14.6451 TIMING: 3985400 CPU: 12595.7, 0.00319055/step Wall: 12595.7, 0.00319055/step, 0.899202 hours remaining, 237.031250 MB of memory in use. ENERGY: 3985400 4008.0054 20564.5883 14463.4534 237.2926 -203126.6477 2756.0591 0.0000 0.0000 51994.4554 -109102.7934 298.8128 -161097.2488 -108744.6505 299.2707 -124.5808 -97.9077 763947.0519 -5.0486 -4.9276 PRESSURE: 3985600 82.5285 -20.9405 -196.737 -20.9403 -180.17 -23.7101 -196.737 -23.7104 275.982 GPRESSURE: 3985600 138.476 -180.554 -240.669 45.0451 -125.391 -161.652 -223.236 81.6441 234.724 PRESSAVG: 3985600 17.7182 -37.6381 -13.1209 -37.6381 -2.74166 -18.954 -13.121 -18.954 6.68006 GPRESSAVG: 3985600 17.8705 -37.9378 -14.6866 -37.3121 -1.99601 -20.4211 -11.3923 -17.6758 5.50713 TIMING: 3985600 CPU: 12596.4, 0.00316839/step Wall: 12596.4, 0.00316839/step, 0.892782 hours remaining, 237.031250 MB of memory in use. ENERGY: 3985600 3983.3469 20442.3392 14478.6393 259.9076 -203195.5931 2803.6708 0.0000 0.0000 52070.2441 -109157.4451 299.2484 -161227.6893 -108797.4619 298.8285 59.4470 82.6027 762732.9978 7.2189 7.1272 PRESSURE: 3985800 -56.0883 187.578 13.2521 187.578 -583.889 -84.0435 13.2526 -84.0429 -356.593 GPRESSURE: 3985800 -117.594 158.913 59.497 101.035 -461.844 -100.727 -42.6182 46.2825 -339.597 PRESSAVG: 3985800 60.8155 -15.3824 -49.8385 -15.3824 -39.5526 -15.5029 -49.8385 -15.503 0.0563997 GPRESSAVG: 3985800 61.6063 -14.7399 -48.5962 -17.1242 -41.9484 -15.5769 -49.8774 -16.039 1.35448 TIMING: 3985800 CPU: 12597, 0.00318215/step Wall: 12597, 0.00318215/step, 0.896483 hours remaining, 237.031250 MB of memory in use. ENERGY: 3985800 4054.3968 20498.2629 14559.0744 251.4619 -203256.5007 2534.3728 0.0000 0.0000 52214.7781 -109144.1539 300.0790 -161358.9320 -108773.5703 299.6370 -332.1900 -306.3451 761905.9361 7.1064 7.0041 PRESSURE: 3986000 -177.594 -97.9469 -103.755 -97.9466 -110.132 -116.386 -103.753 -116.386 76.4288 GPRESSURE: 3986000 -111.854 -134.126 -174.128 8.52226 -60.8251 -202.407 -9.09304 -160.904 41.0108 PRESSAVG: 3986000 2.22115 42.4903 -33.5271 42.4903 -49.261 13.6625 -33.5271 13.6626 -10.6647 GPRESSAVG: 3986000 0.399335 40.2628 -33.7319 43.6333 -46.5231 13.2566 -34.0393 15.706 -11.8788 TIMING: 3986000 CPU: 12597.7, 0.00317845/step Wall: 12597.7, 0.00317845/step, 0.895264 hours remaining, 237.031250 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: 3986000 3944.0128 20407.8043 14572.2730 235.5769 -203012.3898 2566.5818 0.0000 0.0000 52174.2816 -109111.8594 299.8463 -161286.1410 -108742.6916 299.8371 -70.4321 -43.8895 762386.9862 -19.2348 -19.3342 PRESSURE: 3986200 -72.6154 -8.72609 -263.871 -8.72574 -436.71 -18.6032 -263.872 -18.6031 37.942 GPRESSURE: 3986200 -74.83 19.9484 -193.667 -11.926 -355.163 -83.8713 -190.988 99.9407 52.4167 PRESSAVG: 3986200 4.45267 -0.865289 -42.8503 -0.865279 -14.7731 -37.561 -42.8503 -37.561 11.0434 GPRESSAVG: 3986200 5.18215 -1.46824 -40.642 -0.577145 -16.0545 -37.0397 -42.2186 -37.9317 11.7851 TIMING: 3986200 CPU: 12598.3, 0.00317187/step Wall: 12598.3, 0.00317187/step, 0.893234 hours remaining, 237.031250 MB of memory in use. ENERGY: 3986200 4043.5135 20497.2779 14547.1030 243.9724 -203243.7023 2551.0853 0.0000 0.0000 52087.9816 -109272.7687 299.3503 -161360.7504 -108908.6668 299.6996 -157.1277 -125.8589 761653.1909 0.2410 0.3042 PRESSURE: 3986400 -311.035 -105.978 37.5167 -105.978 -171.351 -134.61 37.516 -134.609 -333.036 GPRESSURE: 3986400 -283.862 -47.3952 26.7721 -78.9022 -88.8878 -206.446 -117.531 -183.698 -363.754 PRESSAVG: 3986400 -35.6447 -13.8209 2.57142 -13.8209 28.2323 -0.286127 2.57141 -0.286137 11.879 GPRESSAVG: 3986400 -35.5336 -11.7246 1.3583 -17.2333 28.7512 0.180237 0.201299 0.205954 10.8027 TIMING: 3986400 CPU: 12598.9, 0.00318241/step Wall: 12598.9, 0.00318241/step, 0.896027 hours remaining, 237.031250 MB of memory in use. ENERGY: 3986400 4006.9499 20602.2586 14500.0398 243.2060 -203039.8150 2478.9543 0.0000 0.0000 52098.4719 -109109.9345 299.4106 -161208.4063 -108754.2605 299.5872 -271.8073 -245.5013 761044.9581 1.4889 1.3401 PRESSURE: 3986600 -36.5097 -64.044 175.048 -64.0432 -64.8852 87.4524 175.048 87.4523 -334.189 GPRESSURE: 3986600 -37.5092 -95.9859 181.473 -63.3397 -73.6676 145.161 113.036 50.0403 -236.464 PRESSAVG: 3986600 23.9823 -57.0265 16.5247 -57.0265 0.36596 -51.6733 16.5247 -51.6734 -13.0738 GPRESSAVG: 3986600 23.8795 -58.9543 14.6714 -54.3312 0.192775 -50.5942 18.869 -53.9486 -13.1573 TIMING: 3986600 CPU: 12599.6, 0.0032131/step Wall: 12599.6, 0.0032131/step, 0.904487 hours remaining, 237.031250 MB of memory in use. ENERGY: 3986600 3998.9891 20506.9054 14471.9893 248.5532 -202970.1317 2427.7814 0.0000 0.0000 52234.3592 -109081.5542 300.1916 -161315.9134 -108714.2646 299.2991 -145.1946 -115.8802 762512.2239 3.7581 3.6383 PRESSURE: 3986800 56.7936 185.555 -160.383 185.556 -125.891 -109.093 -160.384 -109.094 -72.2309 GPRESSURE: 3986800 27.873 170.77 -17.8594 -6.45787 -93.537 -169.265 -97.1114 -39.9106 4.22467 PRESSAVG: 3986800 -25.0826 -36.9807 -27.0782 -36.9807 15.986 17.1288 -27.0782 17.1288 8.12902 GPRESSAVG: 3986800 -26.3338 -35.8116 -23.9658 -39.9583 16.7638 16.8283 -29.754 19.8469 8.85077 TIMING: 3986800 CPU: 12600.2, 0.00320635/step Wall: 12600.2, 0.00320635/step, 0.902408 hours remaining, 237.031250 MB of memory in use. ENERGY: 3986800 4026.1533 20563.0043 14432.1233 247.2072 -203197.8952 2485.1703 0.0000 0.0000 52186.5350 -109257.7018 299.9167 -161444.2368 -108885.9230 299.8933 -47.1093 -20.4798 762611.5335 -0.3225 -0.2397 PRESSURE: 3987000 227.867 -82.2157 98.4877 -82.2155 -31.1282 -40.4825 98.4877 -40.4838 -421.055 GPRESSURE: 3987000 233.828 -39.4001 111.691 -71.7483 -4.21873 -25.8499 136.397 -106.663 -377.433 PRESSAVG: 3987000 -6.70863 1.22846 27.2467 1.2285 -0.706728 -39.8546 27.2467 -39.8546 13.4026 GPRESSAVG: 3987000 -7.02226 0.327969 24.9943 4.16145 0.0519581 -40.1013 30.6486 -42.8689 13.5959 TIMING: 3987000 CPU: 12600.8, 0.00315442/step Wall: 12600.8, 0.00315442/step, 0.887619 hours remaining, 237.031250 MB of memory in use. ENERGY: 3987000 4029.9451 20576.6855 14413.1946 243.2511 -203365.0390 2796.1726 0.0000 0.0000 52079.0724 -109226.7176 299.2991 -161305.7901 -108867.2725 299.2869 -74.7721 -49.2746 762422.9446 1.9957 2.2085 PRESSURE: 3987200 -38.5887 -56.6859 117.623 -56.6864 -491.377 183.197 117.622 183.197 -86.1084 GPRESSURE: 3987200 21.963 -64.1981 33.6154 -46.2976 -376.268 154.814 79.428 159.091 -172.39 PRESSAVG: 3987200 -16.7093 1.84261 4.74074 1.84255 18.6598 26.2974 4.74073 26.2973 2.27631 GPRESSAVG: 3987200 -16.1697 -0.271758 6.61746 2.04711 18.1923 26.2317 2.73022 29.279 1.67721 TIMING: 3987200 CPU: 12601.5, 0.00317838/step Wall: 12601.5, 0.00317838/step, 0.894185 hours remaining, 237.031250 MB of memory in use. ENERGY: 3987200 4073.5300 20486.5747 14481.0092 259.4213 -203215.9925 2476.5160 0.0000 0.0000 52521.8742 -108917.0671 301.8439 -161438.9413 -108548.9229 299.6355 -205.3579 -175.5649 761984.2883 1.4089 1.2333 PRESSURE: 3987400 -419.783 -208.839 -124.183 -208.838 -146.849 -32.9781 -124.182 -32.9775 -243.624 GPRESSURE: 3987400 -381.237 -97.216 -211.669 -144.289 -150.45 8.31611 -33.1013 -77.6461 -211.934 PRESSAVG: 3987400 24.1158 3.3328 22.4619 3.33281 -2.64199 -6.76986 22.4619 -6.76987 23.3823 GPRESSAVG: 3987400 25.5614 5.26093 20.9349 3.01919 -2.88485 -7.99321 21.6013 -6.53682 22.5717 TIMING: 3987400 CPU: 12602.1, 0.00318897/step Wall: 12602.1, 0.00318897/step, 0.896985 hours remaining, 237.031250 MB of memory in use. ENERGY: 3987400 4157.3794 20633.8039 14462.6564 267.5672 -203050.9518 2546.8970 0.0000 0.0000 52021.2997 -108961.3482 298.9671 -160982.6479 -108595.8162 299.7445 -270.0852 -247.8738 761489.3251 14.9520 15.0827 PRESSURE: 3987600 -6.84238 -143.063 -35.0796 -143.063 -97.7253 80.0431 -35.0785 80.0445 -402.689 GPRESSURE: 3987600 126.14 -286.989 -46.3056 -72.2909 -144.834 37.6443 -222.851 -31.2755 -358.82 PRESSAVG: 3987600 4.47259 -70.5715 -21.8262 -70.5715 -4.03004 15.2849 -21.8262 15.2849 8.46508 GPRESSAVG: 3987600 4.38131 -71.2547 -21.4837 -71.4382 -5.39499 16.0536 -21.5919 14.2178 9.79403 TIMING: 3987600 CPU: 12602.7, 0.00316865/step Wall: 12602.7, 0.00316865/step, 0.891096 hours remaining, 237.031250 MB of memory in use. ENERGY: 3987600 4043.0892 20588.3313 14559.1312 245.4028 -203418.6567 2807.4999 0.0000 0.0000 52197.9371 -108977.2652 299.9823 -161175.2023 -108612.6601 299.9306 -169.0856 -125.8379 760887.6346 2.9692 2.9268 PRESSURE: 3987800 -193.148 -273.549 121.036 -273.549 60.4256 -103.098 121.036 -103.099 216.467 GPRESSURE: 3987800 -157.878 -226.387 89.6074 -129.941 69.9435 -101.099 97.9942 -171.385 244.261 PRESSAVG: 3987800 -48.1031 -18.217 -16.8591 -18.217 -0.0584332 -33.2985 -16.859 -33.2985 11.09 GPRESSAVG: 3987800 -48.1756 -15.9957 -17.9867 -18.1554 0.447567 -31.8729 -14.9485 -34.4966 11.2125 TIMING: 3987800 CPU: 12603.4, 0.00319716/step Wall: 12603.4, 0.00319716/step, 0.898935 hours remaining, 237.031250 MB of memory in use. ENERGY: 3987800 3978.0396 20650.0224 14647.2989 259.4279 -203165.4685 2576.7444 0.0000 0.0000 51962.1728 -109091.7627 298.6273 -161053.9355 -108726.0655 299.6385 27.9148 52.1089 763651.7432 -12.3572 -12.1719 PRESSURE: 3988000 27.8235 -41.6899 71.1154 -41.6898 -213.75 301.423 71.115 301.422 -258.91 GPRESSURE: 3988000 22.6649 69.8298 -2.46546 -105.457 -140.952 306.363 175.947 358.788 -280.266 PRESSAVG: 3988000 0.722905 -28.7662 -20.9349 -28.7663 14.8107 -10.5041 -20.9349 -10.5041 17.1544 GPRESSAVG: 3988000 -0.362805 -30.2199 -20.7708 -29.1714 16.286 -11.5564 -21.3558 -9.8708 16.6615 TIMING: 3988000 CPU: 12604, 0.00318586/step Wall: 12604, 0.00318586/step, 0.895581 hours remaining, 237.031250 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: 3988000 3929.9586 20774.2827 14505.0419 235.0898 -202951.5436 2496.5095 0.0000 0.0000 52018.2636 -108992.3975 298.9497 -161010.6611 -108628.2656 299.6867 -148.2787 -132.8510 762496.0141 10.8960 10.8616 PRESSURE: 3988200 -38.1707 -94.5001 -154.337 -94.5 237.059 -132.401 -154.337 -132.401 -48.5319 GPRESSURE: 3988200 43.5424 -141.998 -145.629 -14.5139 224.341 -24.1688 -86.1914 -151.493 -20.99 PRESSAVG: 3988200 28.4137 -74.3273 9.08517 -74.3273 -15.6067 -21.8217 9.08511 -21.8217 -0.648383 GPRESSAVG: 3988200 27.3608 -74.0339 8.30968 -73.6075 -15.2658 -21.1888 7.54882 -21.8666 0.278172 TIMING: 3988200 CPU: 12604.7, 0.00318097/step Wall: 12604.7, 0.00318097/step, 0.89403 hours remaining, 237.031250 MB of memory in use. ENERGY: 3988200 3998.6995 20528.6000 14510.5854 267.1164 -203507.9679 2787.2716 0.0000 0.0000 52243.9947 -109171.7003 300.2470 -161415.6950 -108813.4185 300.0971 50.1189 82.2978 760818.8121 4.0529 4.1244 LDB: ============= START OF LOAD BALANCING ============== 12617.2 LDB: ============== END OF LOAD BALANCING =============== 12617.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12617.2 LDB: ============= START OF LOAD BALANCING ============== 12617.5 LDB: Largest compute 7076 load 0.032128 is 16.4% of average load 0.195702 LDB: Average compute 0.004369 is 2.2% of average load 0.195702 LDB: TIME 12617.5 LOAD: AVG 0.195702 MAX 0.213438 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12617.5 LOAD: AVG 0.195702 MAX 0.213438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 12617.5 LOAD: AVG 0.195702 MAX 0.213438 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 12617.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12617.5 Info: useSync: 0 useProxySync: 0 PRESSURE: 3988400 -265.588 106.014 75.0755 106.015 -408.116 -226.229 75.076 -226.229 -258.42 GPRESSURE: 3988400 -333.68 139.018 85.5493 152.547 -342.183 -241.934 83.2842 -171.493 -169.815 PRESSAVG: 3988400 43.362 28.4785 7.93964 28.4785 -49.4027 -9.66365 7.93965 -9.66362 18.9285 GPRESSAVG: 3988400 43.8105 27.8788 8.50023 30.2491 -50.3215 -10.883 10.5941 -9.00996 19.6031 TIMING: 3988400 CPU: 12605.3, 0.00321947/step Wall: 12605.3, 0.00321947/step, 0.904672 hours remaining, 234.882812 MB of memory in use. ENERGY: 3988400 4039.9556 20636.6943 14554.7191 235.7809 -203071.3065 2471.2092 0.0000 0.0000 51961.4275 -109171.5199 298.6230 -161132.9474 -108810.3201 299.6361 -310.7081 -281.8927 761795.5211 4.2959 4.3640 PRESSURE: 3988600 -289.996 119.577 -42.351 119.578 254.602 62.2811 -42.3516 62.2819 -413.718 GPRESSURE: 3988600 -220.096 1.4032 -61.4949 78.1623 239.055 99.9282 3.27165 42.4921 -391.869 PRESSAVG: 3988600 -7.95082 30.8692 8.45149 30.8692 -43.2416 -45.0631 8.45151 -45.063 4.0191 GPRESSAVG: 3988600 -6.56944 32.1741 9.0922 27.975 -42.9517 -44.9818 7.47563 -44.154 2.41606 TIMING: 3988600 CPU: 12605.9, 0.00315545/step Wall: 12605.9, 0.00315545/step, 0.886506 hours remaining, 234.882812 MB of memory in use. ENERGY: 3988600 4095.9467 20465.5126 14530.6284 235.6423 -203820.2067 2964.2984 0.0000 0.0000 52136.9279 -109391.2504 299.6316 -161528.1783 -109040.3615 299.3645 -149.7040 -124.3032 760435.6022 -15.7244 -15.7017 PRESSURE: 3988800 1.61649 -122.706 -78.4615 -122.707 -7.64506 322.018 -78.4617 322.019 -409.583 GPRESSURE: 3988800 109.759 -24.6385 -122.369 -106.736 -80.4436 357.449 -112.224 152.939 -369.795 PRESSAVG: 3988800 48.8655 -78.9641 -16.4103 -78.9641 3.39636 -24.4229 -16.4103 -24.4229 22.626 GPRESSAVG: 3988800 47.964 -77.4487 -16.1917 -79.0809 3.49231 -22.5695 -17.3318 -27.9834 22.6979 TIMING: 3988800 CPU: 12606.6, 0.0031824/step Wall: 12606.6, 0.0031824/step, 0.8939 hours remaining, 234.882812 MB of memory in use. ENERGY: 3988800 4011.5450 20454.3246 14527.0049 236.8940 -203622.9674 2893.2564 0.0000 0.0000 52111.2073 -109388.7353 299.4838 -161499.9426 -109024.2837 298.8625 -138.5371 -113.4935 760894.5522 24.9626 24.7181 PRESSURE: 3989000 -273.024 -126.844 223.81 -126.845 -407.439 17.4357 223.81 17.4369 34.9587 GPRESSURE: 3989000 -271.216 -76.8308 197.145 -146.096 -342.565 -80.3616 299.124 162.771 43.6912 PRESSAVG: 3989000 -43.362 -8.30373 -8.97411 -8.30375 31.7101 -35.3586 -8.97409 -35.3585 -8.31608 GPRESSAVG: 3989000 -41.989 -11.2887 -9.38549 -7.85059 30.6057 -36.334 -10.3872 -33.5483 -8.08499 TIMING: 3989000 CPU: 12607.2, 0.00317372/step Wall: 12607.2, 0.00317372/step, 0.891287 hours remaining, 234.882812 MB of memory in use. ENERGY: 3989000 3959.1000 20479.7320 14485.0483 261.3942 -203175.6832 2486.5017 0.0000 0.0000 51906.3039 -109597.6030 298.3062 -161503.9069 -109231.1341 298.7439 -215.1681 -190.0298 761697.2043 -6.6560 -6.4894 PRESSURE: 3989200 362.909 56.6578 20.4598 56.6574 194.236 -33.0482 20.4599 -33.0477 162.213 GPRESSURE: 3989200 376.352 49.8332 104.853 43.0105 196.262 -115.569 88.8877 -74.8311 253.299 PRESSAVG: 3989200 28.0952 -29.6728 -57.9571 -29.6728 24.8749 -41.8045 -57.9571 -41.8045 16.253 GPRESSAVG: 3989200 27.6725 -27.5836 -56.3891 -27.8712 25.1389 -41.2646 -56.3833 -41.2816 16.1974 TIMING: 3989200 CPU: 12607.8, 0.00315313/step Wall: 12607.8, 0.00315313/step, 0.885328 hours remaining, 234.882812 MB of memory in use. ENERGY: 3989200 3949.5298 20414.6252 14476.3133 244.7927 -203506.2796 2782.3845 0.0000 0.0000 52002.2078 -109636.4263 298.8574 -161638.6341 -109273.7803 298.7526 239.7859 275.3044 761048.1549 23.0744 23.0029 PRESSURE: 3989400 -169.518 193.765 -44.3246 193.765 315.72 142.919 -44.3245 142.92 -273.585 GPRESSURE: 3989400 -100.19 167.087 -87.6289 133.531 312.369 112.433 -21.2619 47.9473 -256.075 PRESSAVG: 3989400 -5.83039 15.6165 -7.97119 15.6164 -14.3666 -0.123254 -7.97118 -0.12322 25.5685 GPRESSAVG: 3989400 -5.3886 13.3553 -8.91946 14.1626 -14.0593 -1.03901 -6.98283 1.42969 24.7787 TIMING: 3989400 CPU: 12608.5, 0.00317768/step Wall: 12608.5, 0.00317768/step, 0.892046 hours remaining, 234.882812 MB of memory in use. ENERGY: 3989400 3984.2774 20517.2689 14544.1969 279.7858 -203829.5558 2894.3347 0.0000 0.0000 52069.0761 -109540.6159 299.2417 -161609.6920 -109175.7052 298.6974 -42.4612 -14.6317 760716.5764 1.7905 1.7769 PRESSURE: 3989600 267.861 -77.1626 153.926 -77.1628 -51.7021 -36.9603 153.927 -36.9606 -175.178 GPRESSURE: 3989600 219.716 -78.1633 188.336 -39.1931 -29.5046 -116.231 96.2904 39.8817 -58.7109 PRESSAVG: 3989600 8.17005 -54.5441 -30.7761 -54.5441 51.9734 -12.8231 -30.7762 -12.8231 26.5773 GPRESSAVG: 3989600 6.42413 -53.561 -31.0027 -54.536 51.9473 -12.7016 -31.067 -15.5375 28.4541 TIMING: 3989600 CPU: 12609.1, 0.0031672/step Wall: 12609.1, 0.0031672/step, 0.888928 hours remaining, 234.882812 MB of memory in use. ENERGY: 3989600 4031.3325 20385.9603 14518.6518 247.2421 -203474.6403 2748.1186 0.0000 0.0000 51917.0247 -109626.3103 298.3679 -161543.3350 -109263.1841 298.7635 13.6601 43.8333 759643.2612 28.9069 28.9418 PRESSURE: 3989800 -237.97 -35.4845 131.813 -35.485 -250.089 -65.6811 131.814 -65.6821 -575.487 GPRESSURE: 3989800 -169.517 -79.7802 145.907 -2.30596 -349.275 -71.7756 50.1083 -142.689 -478.284 PRESSAVG: 3989800 17.0411 1.28812 -1.00752 1.28814 -2.87229 -38.8059 -1.00748 -38.806 0.541998 GPRESSAVG: 3989800 17.1304 0.692141 0.600348 2.4038 -3.12447 -37.6254 -3.32318 -39.32 0.457958 TIMING: 3989800 CPU: 12609.7, 0.00320249/step Wall: 12609.7, 0.00320249/step, 0.898655 hours remaining, 235.085938 MB of memory in use. ENERGY: 3989800 4116.5300 20354.8861 14562.4605 265.7521 -203426.4829 2580.4967 0.0000 0.0000 51959.8221 -109586.5355 298.6138 -161546.3576 -109226.9172 298.4364 -354.5155 -332.3586 761803.6399 4.9036 4.8213 PRESSURE: 3990000 -174.909 -117.096 99.5953 -117.097 -206.392 55.1089 99.5952 55.109 149.517 GPRESSURE: 3990000 -56.5478 -130.885 41.3787 -47.9181 -149.125 53.8612 58.6394 -85.4127 55.5169 PRESSAVG: 3990000 20.1136 7.46803 19.4884 7.468 -6.58207 -49.4983 19.4884 -49.4983 11.5937 GPRESSAVG: 3990000 20.3803 8.084 18.5946 6.88706 -6.45758 -49.622 20.2831 -48.2507 10.8124 TIMING: 3990000 CPU: 12610.4, 0.00318865/step Wall: 12610.4, 0.00318865/step, 0.894593 hours remaining, 235.085938 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: 3990000 4030.5799 20477.5275 14611.4538 239.6451 -203086.6250 2683.7576 0.0000 0.0000 51758.8082 -109284.8531 297.4586 -161043.6612 -108938.4630 298.5595 -77.2613 -50.0519 763627.8507 8.3751 8.2451 PRESSURE: 3990200 -70.707 110.89 -237.256 110.892 116.162 -83.6329 -237.257 -83.6315 -155.96 GPRESSURE: 3990200 -116.096 192.068 -185.815 23.794 215.377 -11.053 -243.534 143.105 -117.772 PRESSAVG: 3990200 -10.5514 1.81672 -15.0186 1.81676 -50.3407 -6.14025 -15.0186 -6.14015 -11.271 GPRESSAVG: 3990200 -10.8653 1.6208 -15.3162 2.55881 -50.9227 -7.15129 -14.3196 -5.39592 -9.8874 TIMING: 3990200 CPU: 12611, 0.00317651/step Wall: 12611, 0.00317651/step, 0.89101 hours remaining, 235.085938 MB of memory in use. ENERGY: 3990200 3957.7026 20671.6415 14566.1672 248.3917 -203508.5090 2918.4111 0.0000 0.0000 51878.9698 -109267.2251 298.1492 -161146.1950 -108911.2530 298.9073 -36.8348 -6.1635 760831.7282 -24.0544 -23.8918 PRESSURE: 3990400 -159.943 46.3802 251.177 46.381 -338.285 48.3098 251.178 48.3091 -102.891 GPRESSURE: 3990400 -95.6607 -24.0549 242.89 -35.1324 -331.99 44.5256 163.707 4.35112 -79.3559 PRESSAVG: 3990400 20.073 -14.5062 19.7073 -14.5062 -65.3472 -18.1865 19.7072 -18.1866 2.7301 GPRESSAVG: 3990400 20.2313 -13.488 18.6231 -15.7631 -65.503 -17.7452 20.621 -17.2805 2.62121 TIMING: 3990400 CPU: 12611.7, 0.00315566/step Wall: 12611.7, 0.00315566/step, 0.884987 hours remaining, 235.085938 MB of memory in use. ENERGY: 3990400 3972.7112 20501.1944 14501.7846 248.6009 -202949.8018 2431.9056 0.0000 0.0000 51994.3226 -109299.2826 298.8121 -161293.6052 -108925.2242 299.0212 -200.3727 -169.0023 761548.3743 -14.1814 -14.2168 PRESSURE: 3990600 -147.275 -69.6801 -113.813 -69.6794 -208.881 -121.564 -113.813 -121.566 56.3284 GPRESSURE: 3990600 3.71668 -11.3148 -143.287 -200.426 -202.319 -148.703 -47.4564 -99.6312 10.3398 PRESSAVG: 3990600 27.4922 23.9879 -35.9472 23.988 -17.8734 4.63011 -35.9471 4.62996 16.6261 GPRESSAVG: 3990600 27.8035 23.5727 -35.9784 25.3799 -18.6086 5.18203 -38.3538 4.25539 16.4435 TIMING: 3990600 CPU: 12612.3, 0.00313733/step Wall: 12612.3, 0.00313733/step, 0.879672 hours remaining, 235.085938 MB of memory in use. ENERGY: 3990600 4057.9490 20691.7741 14561.1951 247.8085 -203672.2805 2855.4173 0.0000 0.0000 52196.5702 -109061.5663 299.9744 -161258.1365 -108695.2316 299.5865 -99.9426 -62.7541 760969.6627 8.7483 8.5462 PRESSURE: 3990800 136.914 144.263 -133.108 144.263 -376.74 -117.4 -133.109 -117.401 119.622 GPRESSURE: 3990800 141.517 108.185 -141.109 151.775 -327.928 -81.399 -111.026 -123.086 143.244 PRESSAVG: 3990800 38.1811 -11.3677 1.96223 -11.3676 -1.01098 -80.9358 1.96226 -80.9358 -32.8006 GPRESSAVG: 3990800 38.2062 -11.6074 3.35685 -11.8656 -0.147642 -81.9613 3.04922 -80.3458 -33.0388 TIMING: 3990800 CPU: 12612.9, 0.00314469/step Wall: 12612.9, 0.00314469/step, 0.881563 hours remaining, 235.085938 MB of memory in use. ENERGY: 3990800 3963.7948 20515.6283 14657.4643 252.4230 -203083.5503 2420.6540 0.0000 0.0000 52199.6971 -109073.8888 299.9924 -161273.5859 -108709.9767 300.0581 -40.0683 -14.3892 761303.3195 1.4565 1.6732 PRESSURE: 3991000 -338.23 25.4252 -51.0567 25.425 -208.82 79.0204 -51.0566 79.022 -22.345 GPRESSURE: 3991000 -404.959 -85.9376 -19.0711 -121.63 -13.45 94.1757 -61.8554 26.1674 -63.8004 PRESSAVG: 3991000 -27.9134 30.4423 -39.3944 30.4423 -12.131 -25.372 -39.3945 -25.372 14.094 GPRESSAVG: 3991000 -28.5005 31.0543 -39.4348 29.6681 -11.5631 -23.9008 -39.0922 -26.4071 14.1191 TIMING: 3991000 CPU: 12613.5, 0.00316442/step Wall: 12613.5, 0.00316442/step, 0.886917 hours remaining, 235.085938 MB of memory in use. ENERGY: 3991000 4013.5188 20752.1807 14540.0809 247.2407 -203394.4568 2523.2769 0.0000 0.0000 52170.4452 -109147.7135 299.8243 -161318.1587 -108790.6940 299.6128 -189.7983 -160.7366 763079.1578 -8.6502 -8.6482 PRESSURE: 3991200 5.52919 -71.1992 -157.322 -71.199 241.661 -186.222 -157.322 -186.222 -242.744 GPRESSURE: 3991200 26.7592 -24.4699 -137.726 30.9423 236.045 -83.3747 -103.194 -149.338 -187.824 PRESSAVG: 3991200 -26.4609 -44.8833 -67.081 -44.8833 0.144946 -41.9479 -67.081 -41.9479 -0.774921 GPRESSAVG: 3991200 -26.3456 -45.9836 -69.0333 -42.3629 -0.743023 -43.2046 -66.5519 -40.7851 -0.166241 TIMING: 3991200 CPU: 12614.2, 0.00316824/step Wall: 12614.2, 0.00316824/step, 0.887812 hours remaining, 235.085938 MB of memory in use. ENERGY: 3991200 3994.7858 20623.2199 14554.5625 241.4942 -203319.6407 2773.2208 0.0000 0.0000 51770.9686 -109361.3890 297.5285 -161132.3575 -109003.5768 299.0753 1.4821 24.9933 760877.8262 -9.0303 -9.0849 PRESSURE: 3991400 -289.714 -0.17439 -200.196 -0.174434 -477.147 34.5995 -200.198 34.5982 -194.223 GPRESSURE: 3991400 -172.385 24.6797 -136.751 -5.17274 -506.71 67.1299 -266.781 48.9463 -195.475 PRESSAVG: 3991400 -66.2277 -52.6996 -19.4466 -52.6996 50.3055 -33.5297 -19.4466 -33.5298 -6.89364 GPRESSAVG: 3991400 -65.4885 -51.9568 -17.9686 -54.3984 50.1866 -33.6187 -21.075 -33.6909 -7.42914 TIMING: 3991400 CPU: 12614.8, 0.00315917/step Wall: 12614.8, 0.00315917/step, 0.885093 hours remaining, 235.085938 MB of memory in use. ENERGY: 3991400 3970.8573 20403.0419 14577.5675 236.1922 -203148.9410 2288.7282 0.0000 0.0000 51919.8553 -109752.6986 298.3841 -161672.5539 -109395.7282 298.6077 -320.3610 -291.5236 763359.4864 -7.6053 -7.5770 PRESSURE: 3991600 222.14 -4.09019 -349.121 -4.08978 273.889 74.7562 -349.121 74.7577 -49.1007 GPRESSURE: 3991600 231.367 -4.21013 -353.172 23.9225 311.663 104.472 -246.762 -20.4361 -10.0259 PRESSAVG: 3991600 3.82185 -27.846 -13.4141 -27.846 -19.0889 63.1723 -13.414 63.1723 -1.34888 GPRESSAVG: 3991600 3.96255 -28.7668 -14.2578 -26.6342 -19.4319 62.1557 -11.0318 61.6196 -1.64684 TIMING: 3991600 CPU: 12615.4, 0.00314793/step Wall: 12615.4, 0.00314793/step, 0.88177 hours remaining, 235.085938 MB of memory in use. ENERGY: 3991600 3958.1868 20478.9588 14533.2587 244.7405 -203344.4256 2855.8054 0.0000 0.0000 51779.7321 -109493.7433 297.5788 -161273.4754 -109137.3187 298.4105 148.9759 177.6678 761665.6356 -5.5386 -5.7054 PRESSURE: 3991800 -202.162 38.5098 -243.709 38.5093 174.993 154.223 -243.709 154.222 -84.5185 GPRESSURE: 3991800 -163.073 2.24495 -217.114 50.2163 165.934 201.045 -269.679 101.04 -50.1272 PRESSAVG: 3991800 -4.27916 -36.6392 -30.4082 -36.6392 12.8906 7.50619 -30.4082 7.50622 -5.1886 GPRESSAVG: 3991800 -6.54464 -36.295 -30.9345 -37.3482 14.5419 7.84553 -30.0874 8.36842 -4.76894 TIMING: 3991800 CPU: 12616.1, 0.00317015/step Wall: 12616.1, 0.00317015/step, 0.887817 hours remaining, 235.085938 MB of memory in use. ENERGY: 3991800 3951.6396 20425.8379 14543.6721 241.7795 -203334.4162 2600.7081 0.0000 0.0000 51741.5042 -109829.2747 297.3591 -161570.7789 -109466.8278 297.8887 -37.2290 -15.7554 764032.0621 1.1409 1.0761 PRESSURE: 3992000 140.597 -69.7311 72.1244 -69.732 182.97 -66.8419 72.1247 -66.8421 -299.146 GPRESSURE: 3992000 189.871 -8.438 32.9363 3.81251 167.147 -60.7306 -10.9066 -69.7148 -266.969 PRESSAVG: 3992000 57.3262 -2.75515 -9.57392 -2.75513 -29.9902 -22.8872 -9.57394 -22.8873 10.9287 GPRESSAVG: 3992000 57.9326 -2.15796 -9.11731 -2.42042 -29.0961 -20.8811 -11.2188 -23.446 9.26464 TIMING: 3992000 CPU: 12616.7, 0.00317422/step Wall: 12616.7, 0.00317422/step, 0.888781 hours remaining, 235.085938 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: 3992000 3948.3767 20556.6815 14498.8711 226.7575 -203578.2917 2827.0861 0.0000 0.0000 51805.5236 -109714.9951 297.7271 -161520.5187 -109357.8090 298.2361 8.1404 30.0161 763031.2263 12.7549 12.7003 PRESSURE: 3992200 -107.45 -40.3044 100.471 -40.3047 54.8329 -83.7791 100.47 -83.7791 -316.193 GPRESSURE: 3992200 -113.854 -57.9493 51.6578 -60.6141 64.2018 -122.759 38.9835 -82.0925 -250.112 PRESSAVG: 3992200 -60.0682 -36.917 -32.2271 -36.917 68.0623 4.45798 -32.2271 4.45793 -15.5816 GPRESSAVG: 3992200 -60.5536 -36.3612 -31.8066 -38.6815 67.0708 2.30748 -31.9775 5.16152 -13.8521 TIMING: 3992200 CPU: 12617.3, 0.00316575/step Wall: 12617.3, 0.00316575/step, 0.886233 hours remaining, 235.085938 MB of memory in use. ENERGY: 3992200 4010.5513 20467.3271 14499.1606 240.9699 -203681.8268 2766.6142 0.0000 0.0000 51979.8866 -109717.3170 298.7291 -161697.2037 -109355.7614 297.8448 -122.9366 -99.9212 762685.3018 -2.5292 -2.4450 LDB: ============= START OF LOAD BALANCING ============== 12629.9 LDB: ============== END OF LOAD BALANCING =============== 12629.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12629.9 LDB: ============= START OF LOAD BALANCING ============== 12630.2 LDB: Largest compute 7073 load 0.033339 is 17.0% of average load 0.195628 LDB: Average compute 0.004399 is 2.2% of average load 0.195628 LDB: TIME 12630.2 LOAD: AVG 0.195628 MAX 0.219081 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.367 MB LDB: TIME 12630.2 LOAD: AVG 0.195628 MAX 0.219081 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 12630.2 LOAD: AVG 0.195628 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: ============== END OF LOAD BALANCING =============== 12630.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12630.2 PRESSURE: 3992400 185.159 -238.731 -80.2884 -238.732 -218.711 -149.123 -80.2883 -149.123 114.086 GPRESSURE: 3992400 218.497 -222.264 -46.3451 -89.2248 -216.618 -192.396 12.3336 -73.9173 161.909 PRESSAVG: 3992400 27.9307 -29.7481 -62.0527 -29.7481 23.8432 -1.53589 -62.0527 -1.53589 2.67198 GPRESSAVG: 3992400 28.7358 -31.9385 -61.8198 -28.8409 23.84 -0.1118 -61.9608 -2.36578 1.69949 TIMING: 3992400 CPU: 12618, 0.00322701/step Wall: 12618, 0.00322701/step, 0.903204 hours remaining, 235.652344 MB of memory in use. ENERGY: 3992400 3987.4025 20436.9051 14484.7988 239.0167 -203856.7571 2829.7511 0.0000 0.0000 52095.9590 -109782.9240 299.3962 -161878.8830 -109415.1059 298.2377 26.8447 54.5961 762744.4105 18.1486 18.0918 PRESSURE: 3992600 226.086 132.665 347.635 132.665 -245.035 44.1512 347.635 44.1502 109.803 GPRESSURE: 3992600 227.769 200.633 310.407 173.31 -178.354 33.1412 205.69 135.801 125.388 PRESSAVG: 3992600 12.6016 -16.6302 -11.7108 -16.6303 14.7715 26.1118 -11.7108 26.1118 17.3607 GPRESSAVG: 3992600 13.0589 -15.3912 -10.4541 -17.3309 13.6928 25.6904 -14.416 25.1145 17.6499 TIMING: 3992600 CPU: 12618.6, 0.00318537/step Wall: 12618.6, 0.00318537/step, 0.891374 hours remaining, 235.652344 MB of memory in use. ENERGY: 3992600 4001.8266 20403.2023 14531.5297 260.4595 -203512.3286 2716.4933 0.0000 0.0000 51714.8294 -109883.9877 297.2058 -161598.8172 -109522.3976 298.1780 30.2848 58.2676 762084.5933 14.9113 14.8006 PRESSURE: 3992800 -82.2549 -122.702 79.7226 -122.701 -130.298 103.56 79.7221 103.559 -270.362 GPRESSURE: 3992800 -33.1904 -223.262 41.6722 -70.7896 -78.8037 72.7317 142.645 171.926 -293.643 PRESSAVG: 3992800 14.9902 -21.9966 -5.73782 -21.9966 -26.2638 9.9231 -5.73781 9.92312 3.87807 GPRESSAVG: 3992800 16.2449 -23.6724 -7.95991 -20.5891 -25.6169 9.87145 -4.10191 11.1619 2.031 TIMING: 3992800 CPU: 12619.3, 0.00318043/step Wall: 12619.3, 0.00318043/step, 0.889813 hours remaining, 235.652344 MB of memory in use. ENERGY: 3992800 3991.1667 20512.9136 14473.9286 249.2075 -203405.8935 2617.3671 0.0000 0.0000 51853.8405 -109707.4697 298.0047 -161561.3102 -109350.9894 297.5358 -160.9716 -135.2124 763196.0405 -2.4652 -2.4470 PRESSURE: 3993000 -243.35 108.36 -159.36 108.36 177.358 26.6341 -159.36 26.6331 -358.21 GPRESSURE: 3993000 -201.706 183.75 -51.514 105.465 129.646 -68.6375 -224.501 102.167 -264.059 PRESSAVG: 3993000 -14.7967 40.2546 0.837683 40.2545 13.167 -2.11942 0.837762 -2.1194 4.46898 GPRESSAVG: 3993000 -15.8109 44.0267 2.83213 37.7379 11.9987 -2.35913 0.751099 -2.07558 6.14894 TIMING: 3993000 CPU: 12619.9, 0.00317615/step Wall: 12619.9, 0.00317615/step, 0.888439 hours remaining, 235.652344 MB of memory in use. ENERGY: 3993000 3973.7855 20435.7456 14569.4814 229.6158 -203542.5869 2843.2023 0.0000 0.0000 51690.8629 -109799.8935 297.0681 -161490.7563 -109444.9688 298.1651 -141.4008 -112.0396 762954.6435 0.9464 0.7789 PRESSURE: 3993200 351.32 -47.6964 24.8331 -47.6973 -54.8123 51.6884 24.8329 51.6891 -104.942 GPRESSURE: 3993200 276.96 19.9459 43.7793 -98.428 71.6153 35.3621 211.315 -70.2019 -54.3983 PRESSAVG: 3993200 20.3575 11.4245 20.8211 11.4246 -26.3638 38.8167 20.8211 38.8167 -6.08345 GPRESSAVG: 3993200 19.2745 8.11828 19.1727 13.7729 -25.1238 38.3897 21.8019 38.3227 -6.64855 TIMING: 3993200 CPU: 12620.5, 0.00316184/step Wall: 12620.5, 0.00316184/step, 0.884261 hours remaining, 235.652344 MB of memory in use. ENERGY: 3993200 3947.5934 20338.6396 14565.2561 238.3683 -203363.6753 2501.5019 0.0000 0.0000 51979.8953 -109792.4207 298.7292 -161772.3160 -109439.2002 297.9394 63.8552 98.0589 762203.6991 -4.0299 -4.1660 PRESSURE: 3993400 160.942 109.129 -344.287 109.129 103.181 108.127 -344.288 108.126 396.024 GPRESSURE: 3993400 139.155 77.6242 -258.008 157.063 146.778 91.811 -291.255 211.827 449.423 PRESSAVG: 3993400 26.8442 15.6268 -36.7105 15.6268 16.2139 14.4206 -36.7105 14.4206 10.9027 GPRESSAVG: 3993400 26.9405 14.9146 -34.6009 15.9705 16.1546 16.4584 -37.3392 13.9392 10.7045 TIMING: 3993400 CPU: 12621.2, 0.00320449/step Wall: 12621.2, 0.00320449/step, 0.896011 hours remaining, 235.652344 MB of memory in use. ENERGY: 3993400 3968.0765 20510.8560 14516.1730 234.4695 -203789.1891 2803.5211 0.0000 0.0000 51880.6843 -109875.4087 298.1590 -161756.0931 -109511.2568 298.1741 220.0492 245.1188 760138.8547 17.9870 17.9332 PRESSURE: 3993600 -346.157 -172.159 34.7818 -172.16 10.5846 92.5273 34.7819 92.5274 17.6237 GPRESSURE: 3993600 -208.46 -239.588 82.6273 -195.045 20.0076 156.553 -103.543 162.234 -49.8089 PRESSAVG: 3993600 22.1604 -40.0831 -66.6096 -40.0831 12.5161 9.12801 -66.6097 9.12797 25.4333 GPRESSAVG: 3993600 22.0638 -40.6736 -68.0713 -37.527 11.8587 7.87165 -67.3307 11.9061 26.1026 TIMING: 3993600 CPU: 12621.8, 0.00318766/step Wall: 12621.8, 0.00318766/step, 0.891127 hours remaining, 235.652344 MB of memory in use. ENERGY: 3993600 3978.4850 20489.4300 14444.9526 257.5354 -203296.1813 2738.0450 0.0000 0.0000 51695.1285 -109692.6047 297.0926 -161387.7332 -109346.7069 297.9912 -105.9830 -79.4206 763784.3718 20.0366 20.0083 PRESSURE: 3993800 -253.875 25.4832 -204.558 25.4833 -310.357 248.042 -204.557 248.043 -185.06 GPRESSURE: 3993800 -177.293 -85.7006 -180.201 -46.3198 -198.417 169.968 -213.338 143.957 -293.099 PRESSAVG: 3993800 0.240409 -0.599283 -27.9672 -0.599272 -17.1584 -15.1792 -27.9672 -15.1794 -4.56934 GPRESSAVG: 3993800 1.47754 0.939452 -28.9736 -3.10007 -17.2582 -14.7837 -27.2083 -16.2863 -5.64061 TIMING: 3993800 CPU: 12622.4, 0.00318075/step Wall: 12622.4, 0.00318075/step, 0.88902 hours remaining, 235.652344 MB of memory in use. ENERGY: 3993800 3913.9064 20434.3165 14538.3708 245.8557 -203139.4761 2675.6219 0.0000 0.0000 51636.2886 -109695.1163 296.7545 -161331.4049 -109337.7386 297.8790 -249.7642 -222.9365 764425.5500 -7.1624 -7.1404 PRESSURE: 3994000 47.5395 -57.458 -108.696 -57.4575 198.002 -17.2211 -108.695 -17.2212 224.582 GPRESSURE: 3994000 22.066 -19.8313 -79.9491 19.8031 274.107 -4.17464 -95.8329 95.3604 264.801 PRESSAVG: 3994000 -10.5593 -48.0036 -7.4192 -48.0036 -0.0104146 -22.7632 -7.41921 -22.7631 -3.55652 GPRESSAVG: 3994000 -13.3365 -46.9647 -7.69341 -48.7951 1.10455 -23.2569 -7.77727 -23.7764 -2.20431 TIMING: 3994000 CPU: 12623.1, 0.00314942/step Wall: 12623.1, 0.00314942/step, 0.880089 hours remaining, 235.652344 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: 3994000 3960.5881 20378.3278 14487.6191 271.5208 -203272.2081 2604.8250 0.0000 0.0000 51858.2134 -109711.1139 298.0299 -161569.3273 -109361.3918 298.4948 156.7079 186.9916 760384.4471 -4.7088 -4.8121 PRESSURE: 3994200 -125.426 5.19815 0.0676794 5.19796 -429.317 -139.255 0.0671392 -139.256 -212.924 GPRESSURE: 3994200 -167.259 25.714 -13.7464 107.381 -303.6 -124.584 100.712 -105.733 -228.541 PRESSAVG: 3994200 -2.44782 -39.1012 -14.8283 -39.1011 13.6588 -11.1181 -14.8283 -11.1182 -6.26096 GPRESSAVG: 3994200 -2.579 -39.4353 -13.5464 -39.1079 14.4045 -11.6313 -14.667 -9.10678 -7.16155 TIMING: 3994200 CPU: 12623.7, 0.00315445/step Wall: 12623.7, 0.00315445/step, 0.881317 hours remaining, 235.652344 MB of memory in use. ENERGY: 3994200 4044.7560 20439.4882 14503.6694 237.1762 -202739.3178 2276.4324 0.0000 0.0000 51540.4939 -109697.3017 296.2039 -161237.7956 -109339.6581 298.1196 -255.8890 -233.1335 761850.0519 1.6500 1.5546 PRESSURE: 3994400 52.919 369.59 80.9446 369.59 -213.644 -121.727 80.945 -121.727 -331.018 GPRESSURE: 3994400 76.6514 333.232 24.1901 285.832 -143.332 -90.0964 -28.2865 -111.405 -348.634 PRESSAVG: 3994400 25.3386 23.555 -5.84626 23.5549 -23.96 -57.0796 -5.84626 -57.0796 13.1515 GPRESSAVG: 3994400 27.5426 25.6536 -7.07381 24.8962 -24.8737 -56.46 -6.2861 -57.7407 12.4891 TIMING: 3994400 CPU: 12624.3, 0.00316998/step Wall: 12624.3, 0.00316998/step, 0.88548 hours remaining, 235.652344 MB of memory in use. ENERGY: 3994400 4077.3689 20479.5382 14420.7741 247.7539 -203553.9934 2727.3432 0.0000 0.0000 51799.5961 -109801.6191 297.6930 -161601.2152 -109451.0044 298.1449 -163.9143 -138.4384 761322.5758 4.8434 5.0527 PRESSURE: 3994600 44.2179 -201.649 -216.951 -201.65 3.77917 -116.264 -216.951 -116.264 -425.388 GPRESSURE: 3994600 114.933 -95.9931 -149.196 -103.253 3.79537 -86.7856 -179.923 -83.8344 -430.464 PRESSAVG: 3994600 -0.610229 30.7272 -0.117382 30.7272 13.9798 -8.01196 -0.117375 -8.01206 -0.729164 GPRESSAVG: 3994600 -0.842691 27.3724 -0.959086 29.9246 12.4169 -7.86169 0.66255 -8.16975 1.03821 TIMING: 3994600 CPU: 12625, 0.00316191/step Wall: 12625, 0.00316191/step, 0.88305 hours remaining, 235.652344 MB of memory in use. ENERGY: 3994600 3958.6663 20115.2471 14511.1689 235.8330 -203411.8675 2601.3434 0.0000 0.0000 52200.0222 -109789.5865 299.9942 -161989.6088 -109414.2851 297.8073 -125.7971 -103.9116 759608.3355 4.2135 4.2042 PRESSURE: 3994800 -53.9055 -26.384 125.516 -26.3846 -466.549 -19.6655 125.518 -19.6652 -115.269 GPRESSURE: 3994800 -17.8868 -40.1714 237.501 -104.194 -477.688 -14.1784 74.5722 -27.3485 -46.2456 PRESSAVG: 3994800 19.575 -65.0473 -12.6124 -65.0473 3.36704 -11.813 -12.6124 -11.813 -5.48311 GPRESSAVG: 3994800 18.5786 -63.7998 -10.3203 -65.7421 5.44227 -12.1757 -12.3387 -12.8894 -6.66673 TIMING: 3994800 CPU: 12625.6, 0.00316814/step Wall: 12625.6, 0.00316814/step, 0.884615 hours remaining, 235.652344 MB of memory in use. ENERGY: 3994800 3925.0481 20438.2421 14438.5319 233.3164 -202346.0260 1966.8138 0.0000 0.0000 51844.5498 -109499.5239 297.9513 -161344.0737 -109127.1184 298.1603 -211.9079 -180.6070 761435.1688 5.8196 5.7847 PRESSURE: 3995000 -126.885 21.6776 -217.146 21.6775 -257.241 177.418 -217.148 177.417 -501.081 GPRESSURE: 3995000 -139.911 -24.5375 -230.483 30.3386 -210.228 131.554 -196.973 214.392 -441.938 PRESSAVG: 3995000 -1.35756 -2.38258 -57.4876 -2.38262 -54.0029 -4.33442 -57.4876 -4.33441 -4.10296 GPRESSAVG: 3995000 -0.683538 -4.12522 -58.3374 -1.75904 -55.342 -5.44326 -58.3475 -4.60547 -3.52772 TIMING: 3995000 CPU: 12626.2, 0.00315712/step Wall: 12626.2, 0.00315712/step, 0.881361 hours remaining, 235.652344 MB of memory in use. ENERGY: 3995000 4043.7519 20448.7908 14568.0917 248.3734 -202658.5856 2208.7244 0.0000 0.0000 51770.0691 -109370.7844 297.5233 -161140.8536 -109007.2760 299.4185 -295.0690 -264.0258 762533.2116 -19.8211 -19.8511 PRESSURE: 3995200 215.447 179.797 69.8846 179.797 197.014 28.4914 69.8841 28.4912 515.669 GPRESSURE: 3995200 290.173 216.228 116.24 123.471 252.404 -3.9543 -21.4656 107.167 482.882 PRESSAVG: 3995200 31.1736 -33.7156 -43.3598 -33.7157 7.561 19.2141 -43.3597 19.214 16.3118 GPRESSAVG: 3995200 32.0715 -32.2927 -43.445 -34.1489 6.67847 20.3011 -42.8226 20.0725 16.2455 TIMING: 3995200 CPU: 12626.9, 0.00317317/step Wall: 12626.9, 0.00317317/step, 0.885668 hours remaining, 235.652344 MB of memory in use. ENERGY: 3995200 3933.0443 20508.4619 14480.2337 248.2072 -203066.2961 2506.2045 0.0000 0.0000 52210.7703 -109179.3742 300.0560 -161390.1445 -108802.6519 299.5069 309.3767 341.8195 760586.8695 18.3488 18.3318 PRESSURE: 3995400 56.2483 81.3964 80.1393 81.3969 286.501 -110.948 80.1382 -110.949 -74.5146 GPRESSURE: 3995400 66.0456 67.0763 -10.0789 -16.8549 240.724 -63.565 81.445 -180.658 32.2726 PRESSAVG: 3995400 -14.8307 0.293474 -20.247 0.293371 25.3761 -36.2898 -20.247 -36.2898 -11.2093 GPRESSAVG: 3995400 -15.5397 -0.54748 -20.3511 2.56164 26.5377 -34.6001 -21.4641 -38.4123 -11.7075 TIMING: 3995400 CPU: 12627.5, 0.0031475/step Wall: 12627.5, 0.0031475/step, 0.878327 hours remaining, 235.652344 MB of memory in use. ENERGY: 3995400 3940.3707 20716.4180 14354.6410 252.2871 -203418.8558 2677.5455 0.0000 0.0000 52474.0432 -109003.5504 301.5690 -161477.5936 -108635.8088 300.2385 89.4117 113.0141 761066.5130 -0.2213 -0.2365 PRESSURE: 3995600 171.523 -151.273 -42.6924 -151.272 211.761 73.0736 -42.692 73.0733 -53.1545 GPRESSURE: 3995600 175.562 -128.786 -95.5797 -165.119 286.567 100.573 -45.4281 73.5084 -51.8721 PRESSAVG: 3995600 -2.0899 -9.22537 -17.146 -9.22533 35.3558 -27.6805 -17.146 -27.6804 -15.7243 GPRESSAVG: 3995600 -2.79093 -5.46549 -16.8561 -11.3873 36.5874 -29.6118 -17.0731 -26.6063 -16.2961 TIMING: 3995600 CPU: 12628.1, 0.00314897/step Wall: 12628.1, 0.00314897/step, 0.878563 hours remaining, 235.652344 MB of memory in use. ENERGY: 3995600 3991.3263 20446.6803 14485.8738 262.9477 -203420.7824 2811.5416 0.0000 0.0000 52351.3288 -109071.0839 300.8638 -161422.4127 -108692.5427 300.3336 110.0432 136.7523 763252.5709 5.8472 5.8335 PRESSURE: 3995800 -228.129 233.456 180.293 233.456 -349.573 5.37141 180.294 5.37204 -30.8244 GPRESSURE: 3995800 -254.652 266.773 134.455 181.276 -256.97 33.7001 231.656 150.513 -8.07361 PRESSAVG: 3995800 0.0726676 35.8648 58.1996 35.8648 14.7255 -23.6149 58.1996 -23.6148 8.18522 GPRESSAVG: 3995800 1.03997 34.7023 58.5073 36.294 13.4613 -23.9105 60.4803 -23.6987 8.40082 TIMING: 3995800 CPU: 12628.8, 0.00316961/step Wall: 12628.8, 0.00316961/step, 0.884145 hours remaining, 235.652344 MB of memory in use. ENERGY: 3995800 3977.7072 20454.8478 14531.2361 247.6060 -202975.6939 2512.9951 0.0000 0.0000 52075.6612 -109175.6406 299.2795 -161251.3018 -108815.7125 299.8463 -202.8422 -173.2319 761813.7123 7.6611 7.6340 PRESSURE: 3996000 -60.6521 33.3247 32.9817 33.3253 -146.465 183.667 32.9822 183.666 388.124 GPRESSURE: 3996000 -55.4835 -60.1683 30.6182 -67.0088 -102.1 130.842 72.1158 205.83 413.972 PRESSAVG: 3996000 -11.9632 25.3219 4.1913 25.322 28.0065 -9.32843 4.1913 -9.32846 11.4687 GPRESSAVG: 3996000 -11.4534 25.4336 3.51117 23.2667 28.8846 -9.73994 2.3996 -8.63332 10.4994 TIMING: 3996000 CPU: 12629.4, 0.00318211/step Wall: 12629.4, 0.00318211/step, 0.887454 hours remaining, 235.652344 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: 3996000 3975.5525 20613.0204 14444.0476 256.7906 -203301.6194 2711.6965 0.0000 0.0000 52072.4210 -109228.0908 299.2609 -161300.5118 -108874.0252 299.4051 60.3358 85.4628 762672.2551 9.1707 9.3102 PRESSURE: 3996200 -21.9389 77.2839 -35.1794 77.2829 -308.498 -254.146 -35.1801 -254.148 -67.984 GPRESSURE: 3996200 -34.6733 64.8723 -105.428 63.2158 -160.686 -274.99 88.1363 -71.2252 -123.781 PRESSAVG: 3996200 34.2079 21.8564 -31.9681 21.8563 2.28159 -10.5611 -31.9681 -10.5612 -5.5794 GPRESSAVG: 3996200 32.9054 20.8012 -34.4907 23.2127 1.95487 -9.74789 -29.487 -9.06008 -4.30786 TIMING: 3996200 CPU: 12630, 0.0031751/step Wall: 12630, 0.0031751/step, 0.885323 hours remaining, 235.652344 MB of memory in use. ENERGY: 3996200 3877.2691 20672.7380 14384.2083 241.1122 -203333.5492 2735.8281 0.0000 0.0000 52079.8954 -109342.4981 299.3039 -161422.3935 -108982.9399 299.4087 -132.8070 -106.3802 762214.8453 10.3034 10.1841 LDB: ============= START OF LOAD BALANCING ============== 12642.6 LDB: ============== END OF LOAD BALANCING =============== 12642.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12642.6 LDB: ============= START OF LOAD BALANCING ============== 12642.9 LDB: Largest compute 7075 load 0.035535 is 18.2% of average load 0.195609 LDB: Average compute 0.004393 is 2.2% of average load 0.195609 LDB: TIME 12642.9 LOAD: AVG 0.195609 MAX 0.214646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 12642.9 LOAD: AVG 0.195609 MAX 0.214646 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 12642.9 LOAD: AVG 0.195609 MAX 0.214646 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 12642.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12642.9 PRESSURE: 3996400 265.098 178.346 77.7953 178.345 354.842 -19.2244 77.7954 -19.2253 42.4702 GPRESSURE: 3996400 359.173 268.328 23.787 238.042 363.014 17.0615 107.715 -159.739 1.42485 PRESSAVG: 3996400 58.1199 -36.4709 33.7183 -36.4708 -45.1551 -49.4607 33.7183 -49.4608 18.365 GPRESSAVG: 3996400 58.4517 -36.7947 36.0413 -36.4714 -46.1899 -48.6667 31.6113 -49.6179 18.3318 TIMING: 3996400 CPU: 12630.7, 0.00326794/step Wall: 12630.7, 0.00326794/step, 0.911028 hours remaining, 236.164062 MB of memory in use. ENERGY: 3996400 3946.5678 20537.9790 14535.4620 248.2394 -203840.5370 2818.5134 0.0000 0.0000 52072.3837 -109681.3917 299.2607 -161753.7754 -109316.0594 299.5956 220.8032 241.2039 761441.2810 10.4433 10.1979 PRESSURE: 3996600 -14.4474 22.5836 238.318 22.5849 76.2556 -74.5645 238.318 -74.5637 -69.9083 GPRESSURE: 3996600 -41.0204 86.8947 344.908 37.0637 149.917 -151.055 192.596 -30.6287 -56.392 PRESSAVG: 3996600 21.084 12.6352 46.7352 12.6353 -17.4003 -37.8993 46.7353 -37.8993 20.2281 GPRESSAVG: 3996600 20.4386 12.5012 46.661 13.826 -16.7777 -39.0053 46.4553 -40.1917 20.4863 TIMING: 3996600 CPU: 12631.3, 0.00314859/step Wall: 12631.3, 0.00314859/step, 0.877581 hours remaining, 236.625000 MB of memory in use. ENERGY: 3996600 3995.8534 20581.8415 14448.2069 236.9711 -203476.0331 2620.3383 0.0000 0.0000 51916.4031 -109676.4188 298.3643 -161592.8218 -109320.9182 299.0941 -2.7000 17.5014 760747.8723 7.9706 8.0491 PRESSURE: 3996800 79.2836 -28.7029 104.639 -28.7032 -339.094 -17.4943 104.64 -17.4951 191.937 GPRESSURE: 3996800 86.2727 -105.104 124.917 34.7936 -264.186 -36.0027 50.8214 -8.20762 201.26 PRESSAVG: 3996800 32.3371 50.4073 67.9082 50.4074 19.9544 -14.3625 67.9081 -14.3625 19.7292 GPRESSAVG: 3996800 31.9055 49.599 67.4333 49.5534 20.6902 -13.6579 68.8961 -13.7247 19.3505 TIMING: 3996800 CPU: 12631.9, 0.00313326/step Wall: 12631.9, 0.00313326/step, 0.873134 hours remaining, 236.625000 MB of memory in use. ENERGY: 3996800 3940.6879 20633.2019 14440.7400 247.7423 -203683.8165 2670.6299 0.0000 0.0000 52080.9593 -109669.8553 299.3100 -161750.8146 -109307.6381 299.6949 -22.6246 7.7820 760024.9683 24.0069 23.9821 PRESSURE: 3997000 -93.8632 -83.2326 -262.183 -83.2317 54.612 152.559 -262.182 152.559 -68.6338 GPRESSURE: 3997000 -76.7913 -98.6969 -305.389 -44.625 99.9411 53.2182 -223.133 59.2774 -45.7321 PRESSAVG: 3997000 81.5748 -30.3167 20.4595 -30.3167 -100.525 68.8274 20.4595 68.8274 10.4705 GPRESSAVG: 3997000 83.57 -31.8284 18.049 -29.0971 -102.582 68.6667 18.9963 68.8674 10.8433 TIMING: 3997000 CPU: 12632.6, 0.003146/step Wall: 12632.6, 0.003146/step, 0.87651 hours remaining, 236.625000 MB of memory in use. ENERGY: 3997000 4007.4144 20590.8741 14518.3290 262.7663 -203317.0812 2473.1284 0.0000 0.0000 51982.1423 -109482.4268 298.7421 -161464.5691 -109132.7102 298.9223 -35.9616 -7.5275 760996.4616 -2.8267 -2.7230 PRESSURE: 3997200 354.64 -59.4563 -100.345 -59.4557 69.5599 -119.853 -100.345 -119.852 438.553 GPRESSURE: 3997200 361.942 -71.2109 -137.953 -26.5457 212.969 -52.937 -145.141 -15.8487 391.093 PRESSAVG: 3997200 2.79149 19.368 -54.0873 19.3681 -6.39491 -21.8366 -54.0872 -21.8366 28.8549 GPRESSAVG: 3997200 2.85086 21.1717 -51.7009 18.8746 -7.17231 -22.3557 -54.4276 -21.2872 29.1546 TIMING: 3997200 CPU: 12633.2, 0.00316035/step Wall: 12633.2, 0.00316035/step, 0.880332 hours remaining, 236.625000 MB of memory in use. ENERGY: 3997200 3976.0794 20422.2575 14515.6005 225.9365 -203618.4964 2846.4025 0.0000 0.0000 51994.1532 -109638.0667 298.8111 -161632.2199 -109280.6531 299.2788 287.5843 322.0012 760737.6180 8.4172 8.2777 PRESSURE: 3997400 85.7962 -35.4971 -131.545 -35.4968 111.636 -39.92 -131.545 -39.9186 -30.3026 GPRESSURE: 3997400 137.144 -47.7953 -50.9678 56.3421 132.652 -90.1885 -118.075 -91.5486 -16.6749 PRESSAVG: 3997400 60.0591 -9.72052 6.08878 -9.72053 -19.4459 -23.0591 6.08875 -23.0591 8.76124 GPRESSAVG: 3997400 58.8485 -10.7674 7.9007 -12.6902 -18.4829 -22.9521 5.68931 -21.5755 8.64414 TIMING: 3997400 CPU: 12633.8, 0.00315276/step Wall: 12633.8, 0.00315276/step, 0.878045 hours remaining, 236.625000 MB of memory in use. ENERGY: 3997400 3964.6421 20400.2231 14408.4933 243.2012 -203956.9396 3000.1075 0.0000 0.0000 52284.0739 -109656.1985 300.4773 -161940.2724 -109283.0073 298.6144 55.7098 84.3738 761032.5556 16.4582 16.3366 PRESSURE: 3997600 213.158 -37.1164 -104.059 -37.1164 383.704 -48.0346 -104.059 -48.0333 147.981 GPRESSURE: 3997600 323.478 -47.9709 -76.6687 -9.45801 303.941 39.0955 -65.6103 -48.1918 204.408 PRESSAVG: 3997600 42.9663 -15.8955 -46.6504 -15.8956 -53.9562 12.9113 -46.6504 12.9114 -3.39473 GPRESSAVG: 3997600 43.5313 -14.1363 -47.5046 -14.5664 -54.8355 13.7346 -44.0459 11.8427 -3.69341 TIMING: 3997600 CPU: 12634.5, 0.00316409/step Wall: 12634.5, 0.00316409/step, 0.881024 hours remaining, 236.625000 MB of memory in use. ENERGY: 3997600 3897.2499 20666.5224 14355.5549 255.9957 -203228.0507 2733.7032 0.0000 0.0000 51855.4415 -109463.5832 298.0139 -161319.0247 -109110.9362 299.0051 248.2812 277.2753 761553.8332 -4.7949 -4.9992 PRESSURE: 3997800 -146.719 -4.83699 42.1982 -4.83661 -404.043 -176.767 42.1976 -176.767 -15.7988 GPRESSURE: 3997800 -165.833 74.3907 -49.8379 -11.9711 -274.287 -166.006 108.094 -170.932 -19.3511 PRESSAVG: 3997800 18.2644 -30.6975 -23.1348 -30.6976 -17.3885 -5.1775 -23.1347 -5.17742 21.5703 GPRESSAVG: 3997800 17.4416 -31.8204 -23.779 -28.9012 -16.7084 -5.0771 -23.3386 -5.6439 21.4775 TIMING: 3997800 CPU: 12635.1, 0.00317071/step Wall: 12635.1, 0.00317071/step, 0.882691 hours remaining, 236.625000 MB of memory in use. ENERGY: 3997800 4040.2501 20483.7762 14413.0909 245.5094 -203461.6465 2596.8220 0.0000 0.0000 52152.8918 -109529.3061 299.7234 -161682.1978 -109165.0008 299.2061 -188.8535 -153.1568 762651.9058 7.4821 7.4036 PRESSURE: 3998000 70.5044 57.2016 -121.755 57.2014 69.0946 373.502 -121.755 373.501 -32.0934 GPRESSURE: 3998000 103.724 -50.0814 -76.8416 31.8671 137.395 370.174 -117.675 377.667 -51.0684 PRESSAVG: 3998000 -27.2945 -59.3499 24.6091 -59.3499 19.3864 11.7206 24.6092 11.7205 21.3929 GPRESSAVG: 3998000 -26.8133 -58.9596 24.859 -59.5054 19.6627 10.6216 21.8795 13.5258 20.2297 TIMING: 3998000 CPU: 12635.7, 0.00317568/step Wall: 12635.7, 0.00317568/step, 0.883896 hours remaining, 236.625000 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: 3998000 3951.8791 20337.9205 14422.8988 240.6668 -203546.2999 2886.0682 0.0000 0.0000 52225.1545 -109481.7120 300.1387 -161706.8665 -109111.7168 299.3255 35.8352 63.3503 761507.2975 4.4950 4.3597 PRESSURE: 3998200 -304.678 -69.107 -148.315 -69.1065 -217.354 -10.2227 -148.315 -10.2227 -193.779 GPRESSURE: 3998200 -235.934 12.2519 -71.8172 -27.3354 -217.292 -42.3861 -139.257 -17.8163 -167.037 PRESSAVG: 3998200 0.153321 -50.0859 -38.8125 -50.0859 -24.8285 20.3814 -38.8125 20.3815 -20.3181 GPRESSAVG: 3998200 -0.0657483 -48.9267 -38.622 -50.725 -25.2517 22.9523 -38.2985 18.3043 -19.2612 TIMING: 3998200 CPU: 12636.4, 0.00317358/step Wall: 12636.4, 0.00317358/step, 0.883138 hours remaining, 236.625000 MB of memory in use. ENERGY: 3998200 3960.4910 20609.1429 14442.4547 238.0022 -203745.1788 2865.0430 0.0000 0.0000 52235.0304 -109395.0145 300.1954 -161630.0450 -109037.1213 299.4296 -238.6037 -206.7545 761983.6750 -14.9978 -14.8596 PRESSURE: 3998400 -117.062 3.42286 31.324 3.42234 -235.292 1.66171 31.3243 1.66124 -225.826 GPRESSURE: 3998400 -78.9345 -32.6289 38.1966 -74.0029 -293.541 -52.7104 1.10007 17.7005 -115.75 PRESSAVG: 3998400 16.6714 -41.7904 1.11076 -41.7904 29.3759 6.65555 1.1108 6.65567 -15.2493 GPRESSAVG: 3998400 15.9957 -45.9869 1.99906 -40.7597 29.4956 3.57366 2.46353 6.39938 -14.6816 TIMING: 3998400 CPU: 12637, 0.00317559/step Wall: 12637, 0.00317559/step, 0.88352 hours remaining, 236.625000 MB of memory in use. ENERGY: 3998400 4038.0397 20552.6072 14432.9503 245.1906 -203487.0043 2607.3122 0.0000 0.0000 51901.4109 -109709.4935 298.2781 -161610.9044 -109355.6128 299.0828 -192.7264 -162.7418 762107.4400 10.2660 10.2699 PRESSURE: 3998600 -160.145 -83.3323 188.456 -83.3328 -117.835 -129.281 188.457 -129.282 -161.288 GPRESSURE: 3998600 -143.057 -24.5128 251.189 -164.629 -43.2204 -30.3736 243.325 -243.514 -182.155 PRESSAVG: 3998600 13.1472 -36.1453 6.66492 -36.1453 -42.5637 13.4715 6.66484 13.4715 -4.43943 GPRESSAVG: 3998600 14.263 -32.9825 5.00617 -38.3001 -41.6539 13.9619 6.49015 14.9025 -6.2754 TIMING: 3998600 CPU: 12637.6, 0.00314074/step Wall: 12637.6, 0.00314074/step, 0.873648 hours remaining, 236.625000 MB of memory in use. ENERGY: 3998600 4013.9728 20599.4838 14445.8986 228.6832 -203477.8206 2696.1668 0.0000 0.0000 51672.5239 -109821.0915 296.9627 -161493.6154 -109467.3641 298.2952 -146.4224 -122.8109 762125.9511 -11.2853 -11.2221 PRESSURE: 3998800 423.47 -23.2152 70.2144 -23.2151 175.578 323.283 70.2153 323.283 714.146 GPRESSURE: 3998800 365.052 -53.5412 93.2103 -41.7092 273.713 324.253 116.645 285.449 752.851 PRESSAVG: 3998800 -35.0489 5.79301 37.7539 5.79301 25.8855 16.0462 37.7538 16.0463 12.7666 GPRESSAVG: 3998800 -35.8228 5.19179 39.2214 5.92657 26.0978 16.6556 37.6203 14.841 12.9919 TIMING: 3998800 CPU: 12638.3, 0.00314618/step Wall: 12638.3, 0.00314618/step, 0.874987 hours remaining, 236.625000 MB of memory in use. ENERGY: 3998800 3974.4396 20399.1258 14356.9406 234.8679 -203856.9506 3025.0330 0.0000 0.0000 51998.6508 -109867.8930 298.8370 -161866.5438 -109516.7996 297.8617 437.7313 463.8720 760137.4860 1.2011 1.0889 PRESSURE: 3999000 -60.5877 -162.535 -101.066 -162.535 -27.8038 -101.727 -101.066 -101.728 -308.572 GPRESSURE: 3999000 9.81455 -80.3536 -19.2096 -95.4132 -4.08327 -78.027 -72.5235 -116.725 -319.378 PRESSAVG: 3999000 41.7111 -16.2476 -16.343 -16.2476 7.88513 -41.3445 -16.3431 -41.3445 -9.06046 GPRESSAVG: 3999000 42.5626 -16.8532 -17.6379 -15.6452 6.87775 -41.2564 -16.9724 -39.1481 -8.76638 TIMING: 3999000 CPU: 12638.9, 0.00315623/step Wall: 12638.9, 0.00315623/step, 0.877606 hours remaining, 236.625000 MB of memory in use. ENERGY: 3999000 3978.6824 20339.4658 14396.4648 231.7391 -203603.4159 2684.7430 0.0000 0.0000 51996.5886 -109975.7323 298.8251 -161972.3209 -109612.1523 298.0640 -132.3210 -104.5488 761593.2324 13.5119 13.5580 PRESSURE: 3999200 34.8115 -121.999 -322.194 -121.999 -174.991 -147.804 -322.194 -147.803 261.722 GPRESSURE: 3999200 98.3126 -115.752 -308.448 -226.4 -203.558 -220.084 -190.293 -101.77 325.662 PRESSAVG: 3999200 12.3213 7.945 -10.5887 7.94502 25.8741 -50.0049 -10.5888 -50.0049 8.29891 GPRESSAVG: 3999200 12.2389 6.85665 -10.4029 8.67 26.0468 -50.8592 -8.32561 -49.5236 8.29508 TIMING: 3999200 CPU: 12639.5, 0.00317433/step Wall: 12639.5, 0.00317433/step, 0.882464 hours remaining, 236.625000 MB of memory in use. ENERGY: 3999200 4058.8377 20418.8802 14522.0035 250.2448 -203822.0601 2782.9929 0.0000 0.0000 51882.7530 -109906.3480 298.1709 -161789.1010 -109544.8756 298.5181 40.5143 73.4723 761995.5519 15.4981 15.5269 PRESSURE: 3999400 -126.159 -133.217 156.525 -133.217 -226.261 -180.759 156.524 -180.759 -228.826 GPRESSURE: 3999400 -167.042 -74.6621 50.8041 -105.307 -137.392 -140.561 92.5264 -157.586 -212.45 PRESSAVG: 3999400 16.7617 -27.6043 49.8389 -27.6043 -18.9093 -36.4105 49.8389 -36.4106 5.86568 GPRESSAVG: 3999400 16.6135 -27.1167 50.8108 -28.7673 -18.0993 -36.5426 47.8365 -37.1293 5.60195 TIMING: 3999400 CPU: 12640.2, 0.00318401/step Wall: 12640.2, 0.00318401/step, 0.884978 hours remaining, 236.625000 MB of memory in use. ENERGY: 3999400 3929.0064 20390.5539 14499.6571 234.4859 -203662.2782 2477.1469 0.0000 0.0000 52257.2573 -109874.1707 300.3232 -162131.4279 -109494.0102 298.3690 -193.7487 -172.2949 762541.6389 1.2394 1.3721 PRESSURE: 3999600 -426.556 161.069 59.5141 161.069 110.378 -117.491 59.5145 -117.49 23.5567 GPRESSURE: 3999600 -258.497 186.626 28.7718 79.6705 67.3885 -132.398 -20.1798 -127.758 -9.01832 PRESSAVG: 3999600 -4.76608 43.1557 -60.4626 43.1557 35.0796 -26.2548 -60.4627 -26.2547 -10.0743 GPRESSAVG: 3999600 -4.17315 44.4602 -60.8047 45.2944 34.6365 -27.1592 -60.812 -24.7792 -9.97081 TIMING: 3999600 CPU: 12640.8, 0.0031494/step Wall: 12640.8, 0.0031494/step, 0.875184 hours remaining, 236.625000 MB of memory in use. ENERGY: 3999600 3951.2847 20492.4012 14466.3787 247.0226 -203448.2902 2390.0633 0.0000 0.0000 51917.7958 -109983.3439 298.3723 -161901.1398 -109620.2268 298.4272 -97.5404 -66.7089 762498.9343 6.7464 6.8308 PRESSURE: 3999800 -509.469 -77.2949 130.938 -77.2948 -413.195 112.344 130.938 112.345 6.41799 GPRESSURE: 3999800 -425.474 -45.9431 188.593 -35.1448 -382.127 165.07 211.877 -29.942 -17.7538 PRESSAVG: 3999800 -13.2783 -3.58944 23.5547 -3.5894 14.3408 -4.44542 23.5548 -4.44553 5.11914 GPRESSAVG: 3999800 -13.1913 -1.69004 21.7283 -5.00453 15.2046 -3.96488 25.8586 -4.65942 3.94108 TIMING: 3999800 CPU: 12641.4, 0.00314184/step Wall: 12641.4, 0.00314184/step, 0.872909 hours remaining, 236.625000 MB of memory in use. ENERGY: 3999800 4089.1162 20111.0058 14388.4460 238.9712 -203212.4056 2259.7460 0.0000 0.0000 52085.5476 -110039.5727 299.3364 -162125.1203 -109671.1843 297.9861 -305.4154 -275.1181 761190.6226 2.0605 1.9848 PRESSURE: 4000000 183.2 -10.4026 -213.316 -10.4011 -377.923 156.977 -213.316 156.977 -214.773 GPRESSURE: 4000000 210.038 74.4802 -282.809 -4.08469 -382.805 170.758 -178.586 27.1368 -156.48 PRESSAVG: 4000000 25.9447 -46.7116 -34.5643 -46.7115 1.30663 -18.1869 -34.5643 -18.1868 -16.927 GPRESSAVG: 4000000 24.587 -46.9596 -32.3249 -47.078 0.985932 -17.4335 -37.2759 -18.5776 -15.4107 TIMING: 4000000 CPU: 12642.1, 0.00316629/step Wall: 12642.1, 0.00316629/step, 0.879524 hours remaining, 236.695312 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: 4000000 3962.2413 20400.1870 14435.4285 248.8703 -203909.8569 2990.7680 0.0000 0.0000 51899.1000 -109973.2617 298.2648 -161872.3618 -109612.5336 298.3117 -136.4987 -109.7491 761673.4544 3.4414 3.3874 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.1.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 -313.575 55.9984 -150.105 55.9986 -25.063 -221.804 -150.106 -221.804 -242.828 GPRESSURE: 4000200 -194.89 138.203 -111.158 80.3724 4.57809 -187.159 -172.027 -130.046 -294.322 PRESSAVG: 4000200 -66.5621 -4.21596 -47.9881 -4.21593 33.5601 2.1582 -47.9881 2.15816 2.02405 GPRESSAVG: 4000200 -66.283 -4.55001 -47.535 -2.94238 34.2147 2.03163 -50.6661 0.625593 1.48868 TIMING: 4000200 CPU: 12642.7, 0.00325777/step Wall: 12642.7, 0.00325777/step, 0.904756 hours remaining, 236.695312 MB of memory in use. ENERGY: 4000200 4042.7735 20287.4516 14392.6003 243.7719 -203235.0457 2426.0739 0.0000 0.0000 51776.9079 -110065.4667 297.5626 -161842.3746 -109702.0014 297.9201 -193.8222 -161.5444 762113.8730 -10.3260 -10.1932 LDB: ============= START OF LOAD BALANCING ============== 12655.2 LDB: ============== END OF LOAD BALANCING =============== 12655.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12655.2 LDB: ============= START OF LOAD BALANCING ============== 12655.6 LDB: Largest compute 7076 load 0.032224 is 16.5% of average load 0.195596 LDB: Average compute 0.004358 is 2.2% of average load 0.195596 LDB: TIME 12655.6 LOAD: AVG 0.195596 MAX 0.218312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 12655.6 LOAD: AVG 0.195596 MAX 0.218312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.551 MB LDB: TIME 12655.6 LOAD: AVG 0.195596 MAX 0.218088 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.551 MB LDB: ============== END OF LOAD BALANCING =============== 12655.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12655.6 PRESSURE: 4000400 -161.391 8.27945 -120.548 8.28009 -114.922 -65.8847 -120.547 -65.8839 -375.201 GPRESSURE: 4000400 -174.495 -51.1669 -245.386 31.8898 -16.2966 -147.5 23.1828 -93.5887 -366.293 PRESSAVG: 4000400 41.5645 -34.986 -10.4938 -34.9861 -12.3175 -36.4287 -10.4938 -36.4288 -4.47972 GPRESSAVG: 4000400 42.0058 -36.0095 -13.3276 -34.8129 -12.6865 -36.3618 -4.55943 -33.53 -4.61928 TIMING: 4000400 CPU: 12643.4, 0.00324062/step Wall: 12643.4, 0.00324062/step, 0.899813 hours remaining, 236.789062 MB of memory in use. ENERGY: 4000400 3996.4451 20514.0030 14445.2598 225.7593 -203584.8626 2592.1171 0.0000 0.0000 51802.0382 -110009.2401 297.7070 -161811.2783 -109650.7518 297.2280 -217.1713 -185.6949 761779.1962 8.2558 8.2333 PRESSURE: 4000600 -216.485 37.608 -96.2773 37.6071 158.25 197.782 -96.2773 197.781 -92.3923 GPRESSURE: 4000600 -186.73 -18.2125 -15.9054 -42.5694 216.71 246.833 -262.039 76.2688 -103.899 PRESSAVG: 4000600 -28.2548 -4.30795 -1.78422 -4.30789 26.1737 -57.9783 -1.78414 -57.9782 -4.41137 GPRESSAVG: 4000600 -27.7306 -6.4371 0.621366 -4.00517 26.6097 -58.2467 -6.53226 -60.3744 -5.40803 TIMING: 4000600 CPU: 12644, 0.00315261/step Wall: 12644, 0.00315261/step, 0.8752 hours remaining, 237.136719 MB of memory in use. ENERGY: 4000600 4002.0030 20546.6674 14481.6827 256.1943 -203379.8194 2177.0134 0.0000 0.0000 51700.2677 -110215.9909 297.1221 -161916.2585 -109864.7930 297.8286 -50.2092 -24.6396 760990.8270 -2.1642 -2.1763 PRESSURE: 4000800 164.361 -399.362 -81.878 -399.361 227.729 -19.5246 -81.8781 -19.5234 357.392 GPRESSURE: 4000800 142.309 -185.527 -225.01 -301.591 240.628 -74.2878 27.7369 -25.0123 428.61 PRESSAVG: 4000800 -66.5055 -24.057 -53.0804 -24.057 80.3534 -8.96251 -53.0804 -8.96254 3.04617 GPRESSAVG: 4000800 -66.6774 -20.2412 -54.5588 -24.6931 79.1516 -8.81851 -50.3324 -9.97933 4.85384 TIMING: 4000800 CPU: 12644.6, 0.00315068/step Wall: 12644.6, 0.00315068/step, 0.87449 hours remaining, 237.136719 MB of memory in use. ENERGY: 4000800 3940.3985 20544.9525 14433.2228 261.4202 -203741.5131 2628.2922 0.0000 0.0000 51638.1897 -110295.0372 296.7654 -161933.2269 -109929.1165 297.8600 249.8273 270.5154 760822.0752 5.6313 5.7760 PRESSURE: 4001000 -330.931 34.9322 95.8373 34.9321 -281.455 132.402 95.8368 132.402 -211.833 GPRESSURE: 4001000 -346.433 73.3233 169.412 76.9625 -179.407 91.4559 182.184 97.1343 -235.723 PRESSAVG: 4001000 -20.9822 6.61222 16.6691 6.61226 47.4723 -18.4534 16.6691 -18.4534 18.9755 GPRESSAVG: 4001000 -22.0395 5.03992 16.182 6.08082 48.7855 -16.9189 17.039 -16.7037 18.7604 TIMING: 4001000 CPU: 12645.3, 0.0031834/step Wall: 12645.3, 0.0031834/step, 0.883395 hours remaining, 237.203125 MB of memory in use. ENERGY: 4001000 3938.3695 20482.0417 14444.4398 258.1678 -203749.0301 2577.6974 0.0000 0.0000 51736.6060 -110311.7079 297.3310 -162048.3139 -109951.4943 297.4187 -274.7397 -253.8540 760378.9019 15.1552 15.1688 PRESSURE: 4001200 -18.3839 36.688 -141.381 36.6881 129.419 -26.7116 -141.381 -26.7109 -286.655 GPRESSURE: 4001200 41.5345 -14.854 -136.593 -16.098 192.271 -43.7866 -158.955 -44.6 -317.663 PRESSAVG: 4001200 -7.86965 40.0596 31.8356 40.0596 -0.765592 3.16083 31.8356 3.16089 -15.3248 GPRESSAVG: 4001200 -7.17337 37.9134 35.4299 40.5889 -0.93435 1.55504 29.4362 4.912 -15.7774 TIMING: 4001200 CPU: 12645.9, 0.00316071/step Wall: 12645.9, 0.00316071/step, 0.876922 hours remaining, 237.273438 MB of memory in use. ENERGY: 4001200 4034.3680 20349.2954 14364.5768 227.3507 -203790.1297 2702.3437 0.0000 0.0000 51830.0648 -110282.1303 297.8681 -162112.1951 -109943.3954 297.4179 -58.5400 -27.9525 760338.5629 -7.9867 -7.9617 PRESSURE: 4001400 133.368 -7.47026 57.8558 -7.47048 111.996 -19.3516 57.8549 -19.3504 -229.061 GPRESSURE: 4001400 209.019 -116.314 130.617 135.154 186.681 -86.6441 125.155 18.3567 -274.363 PRESSAVG: 4001400 15.645 -14.4044 -17.0217 -14.4044 -47.5573 -27.3599 -17.0217 -27.36 5.45801 GPRESSAVG: 4001400 16.0264 -13.5783 -19.4513 -13.6746 -48.014 -27.2592 -18.3357 -28.8285 4.91835 TIMING: 4001400 CPU: 12646.5, 0.00317866/step Wall: 12646.5, 0.00317866/step, 0.881725 hours remaining, 237.273438 MB of memory in use. ENERGY: 4001400 3920.1991 20311.4098 14434.1969 248.0652 -203618.4523 2567.1353 0.0000 0.0000 51801.1622 -110336.2840 297.7020 -162137.4461 -109978.4892 297.4838 5.4346 40.4460 760467.0430 -8.8181 -9.0231 PRESSURE: 4001600 20.4411 130.573 -17.988 130.572 -93.225 46.5535 -17.9884 46.5536 -100.055 GPRESSURE: 4001600 69.5349 117.746 -88.165 119.496 -87.112 22.455 1.34543 90.9889 -70.0929 PRESSAVG: 4001600 57.8345 -10.9082 -37.2451 -10.9082 -60.9666 -23.4898 -37.2451 -23.4897 1.49296 GPRESSAVG: 4001600 58.7515 -11.665 -38.1121 -10.7549 -62.1093 -23.0548 -36.1291 -24.611 1.38372 TIMING: 4001600 CPU: 12647.2, 0.00315921/step Wall: 12647.2, 0.00315921/step, 0.876153 hours remaining, 237.273438 MB of memory in use. ENERGY: 4001600 3852.2494 20432.2142 14538.3335 237.0939 -203428.2466 2499.1405 0.0000 0.0000 51736.7600 -110132.4551 297.3319 -161869.2152 -109767.2362 297.4599 -57.6131 -29.2234 759165.4383 -0.5464 -0.6580 PRESSURE: 4001800 -86.1411 234.524 -133.508 234.523 0.845215 128.009 -133.509 128.009 202.065 GPRESSURE: 4001800 -29.4603 177.165 -128.518 228.263 83.2384 21.4285 -249.139 103.155 147.608 PRESSAVG: 4001800 31.0441 -5.26415 -43.3034 -5.26417 -55.687 -8.28091 -43.3034 -8.28087 -7.2298 GPRESSAVG: 4001800 30.4451 -2.745 -42.2525 -6.47279 -55.3703 -8.83052 -42.7435 -7.41717 -7.477 TIMING: 4001800 CPU: 12647.8, 0.00317169/step Wall: 12647.8, 0.00317169/step, 0.879439 hours remaining, 237.273438 MB of memory in use. ENERGY: 4001800 3898.1964 20559.3997 14398.9707 235.6116 -203283.7894 2367.0902 0.0000 0.0000 51816.8640 -110007.6569 297.7922 -161824.5209 -109643.1625 298.1670 38.9231 67.1288 761222.8199 -10.6242 -10.8007 PRESSURE: 4002000 191.961 260.287 -19.5969 260.287 121.718 -184.421 -19.5972 -184.42 124.517 GPRESSURE: 4002000 172.706 197.181 84.7878 66.1923 204.272 -188.53 34.9722 -129.594 151.393 PRESSAVG: 4002000 -24.5413 43.8963 -60.925 43.8963 14.6572 -19.3725 -60.9251 -19.3725 -7.68782 GPRESSAVG: 4002000 -26.0271 42.7808 -60.0553 42.2424 16.1582 -19.3166 -60.8258 -18.5798 -7.11884 TIMING: 4002000 CPU: 12648.4, 0.00313973/step Wall: 12648.4, 0.00313973/step, 0.870402 hours remaining, 237.273438 MB of memory 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 3997.6815 20705.9796 14499.4758 271.0916 -203634.2137 2618.1564 0.0000 0.0000 51730.4515 -109811.3772 297.2956 -161541.8288 -109445.5389 298.3327 146.0654 176.1237 761880.5101 -5.8573 -5.6626 PRESSURE: 4002200 -265.789 4.98771 320.93 4.98726 -271.894 49.5794 320.93 49.5801 -497.234 GPRESSURE: 4002200 -246.148 160.615 231.892 75.678 -266.185 -21.3562 261.376 56.522 -424.836 PRESSAVG: 4002200 -21.3997 42.4901 -11.9356 42.49 -15.1981 -21.1317 -11.9356 -21.1318 13.1329 GPRESSAVG: 4002200 -20.6656 43.3198 -13.399 43.7616 -16.3297 -21.0386 -11.015 -21.4565 13.5856 TIMING: 4002200 CPU: 12649, 0.00315178/step Wall: 12649, 0.00315178/step, 0.873569 hours remaining, 237.273438 MB of memory in use. ENERGY: 4002200 3975.7051 20629.4421 14448.4183 239.8143 -203591.6651 2520.9491 0.0000 0.0000 52052.1677 -109725.1685 299.1445 -161777.3362 -109368.6166 298.6495 -344.9724 -312.3895 761726.0173 -7.8216 -7.8032 PRESSURE: 4002400 78.4598 125.802 -76.2738 125.803 -178.465 52.728 -76.2748 52.728 -36.2494 GPRESSURE: 4002400 151.474 201.755 11.9924 162.598 -133.085 20.2682 -67.0103 103.477 -51.2413 PRESSAVG: 4002400 10.1055 30.4565 -21.0818 30.4566 4.40639 -8.60806 -21.0818 -8.60798 -1.99842 GPRESSAVG: 4002400 9.64909 29.9751 -20.9905 32.1443 5.25108 -8.08273 -21.4528 -9.54772 -2.61864 TIMING: 4002400 CPU: 12649.7, 0.00315391/step Wall: 12649.7, 0.00315391/step, 0.873985 hours remaining, 237.273438 MB of memory in use. ENERGY: 4002400 3917.5406 20517.8552 14563.3195 237.6867 -203739.7241 2669.5433 0.0000 0.0000 52059.9244 -109773.8544 299.1891 -161833.7788 -109404.3131 299.1443 -45.4182 -10.9508 759851.8112 4.1712 4.0938 PRESSURE: 4002600 -281.706 -2.93516 20.7525 -2.93497 -54.9342 -125.281 20.7525 -125.281 5.90103 GPRESSURE: 4002600 -158.311 -16.4557 53.8436 -33.0459 -43.3752 -101.424 132.441 -169.236 -21.1884 PRESSAVG: 4002600 -19.4105 35.8574 -29.7293 35.8575 23.3312 32.8291 -29.7293 32.8291 0.416067 GPRESSAVG: 4002600 -18.0626 37.2215 -27.9281 33.4192 20.977 33.7662 -28.7955 33.0313 2.0483 TIMING: 4002600 CPU: 12650.3, 0.00313983/step Wall: 12650.3, 0.00313983/step, 0.869906 hours remaining, 237.273438 MB of memory in use. ENERGY: 4002600 4024.9134 20595.9780 14557.0766 237.0482 -203812.1568 2804.2068 0.0000 0.0000 51930.3169 -109662.6170 298.4442 -161592.9338 -109304.5634 298.9589 -110.2463 -74.2916 761460.1394 1.4456 1.6542 PRESSURE: 4002800 146.774 65.0641 132.472 65.0646 -366.574 139.467 132.473 139.466 -368.479 GPRESSURE: 4002800 235.512 32.7979 95.6223 13.3451 -396.48 142.935 121.415 104.534 -356.145 PRESSAVG: 4002800 -10.2962 -25.3865 2.25796 -25.3864 1.25596 -9.98505 2.2579 -9.98504 3.47133 GPRESSAVG: 4002800 -9.95788 -28.1992 1.31583 -21.8252 2.2721 -11.2706 1.74581 -9.3714 1.95587 TIMING: 4002800 CPU: 12650.9, 0.00313503/step Wall: 12650.9, 0.00313503/step, 0.868402 hours remaining, 237.273438 MB of memory in use. ENERGY: 4002800 3988.0674 20647.8202 14450.6422 244.5562 -203659.9449 2714.6963 0.0000 0.0000 52137.7884 -109476.3741 299.6366 -161614.1625 -109108.0863 299.3321 -196.0929 -172.3710 760588.0220 -1.8563 -1.9100 PRESSURE: 4003000 85.1684 29.762 20.9078 29.7623 -68.6729 -111.142 20.9075 -111.141 -282.457 GPRESSURE: 4003000 71.1361 165.663 84.2056 78.8125 -78.4541 -57.4336 45.9807 -74.3304 -178.412 PRESSAVG: 4003000 -19.2761 -17.3553 24.118 -17.3553 26.5129 33.2443 24.118 33.2442 -1.14544 GPRESSAVG: 4003000 -20.7907 -16.4526 24.0597 -19.2334 27.6024 34.387 22.8616 32.7352 -1.16804 TIMING: 4003000 CPU: 12651.6, 0.00313966/step Wall: 12651.6, 0.00313966/step, 0.869513 hours remaining, 237.273438 MB of memory in use. ENERGY: 4003000 4039.0160 20535.1973 14513.9774 240.7675 -204178.8824 3059.5685 0.0000 0.0000 52149.2262 -109641.1295 299.7023 -161790.3557 -109282.4825 298.9198 -88.6537 -61.9098 758808.5403 2.0304 1.8812 PRESSURE: 4003200 -120.226 103.669 120.578 103.668 -61.5789 246.546 120.578 246.546 111.115 GPRESSURE: 4003200 -45.6731 198.057 36.2152 88.6096 13.7162 237.546 88.1969 194.649 50.226 PRESSAVG: 4003200 66.8605 -15.6836 -19.5544 -15.6836 -52.1977 11.8327 -19.5544 11.8327 5.0442 GPRESSAVG: 4003200 67.1639 -15.8799 -20.1337 -13.8935 -52.395 11.4537 -17.4947 10.96 4.30498 TIMING: 4003200 CPU: 12652.2, 0.00316057/step Wall: 12652.2, 0.00316057/step, 0.875127 hours remaining, 237.273438 MB of memory in use. ENERGY: 4003200 4022.0884 20467.1427 14439.1171 240.8732 -203505.9445 2602.2215 0.0000 0.0000 52170.1621 -109564.3396 299.8226 -161734.5017 -109199.7346 298.8079 -23.5632 6.0897 760031.3780 6.5690 6.3580 PRESSURE: 4003400 241.61 110.056 80.422 110.055 423.362 -45.9777 80.4216 -45.9772 12.4195 GPRESSURE: 4003400 351.376 -21.2912 49.9231 -14.0888 353.853 -107.131 143.069 -47.6966 56.7353 PRESSAVG: 4003400 4.51848 10.5259 13.5317 10.5259 21.2299 56.6246 13.5317 56.6246 1.04783 GPRESSAVG: 4003400 4.66828 10.124 13.4009 8.55094 20.7018 56.7883 10.4022 57.3052 1.52064 TIMING: 4003400 CPU: 12652.8, 0.00316011/step Wall: 12652.8, 0.00316011/step, 0.874823 hours remaining, 237.273438 MB of memory in use. ENERGY: 4003400 4025.3697 20580.1192 14463.1590 234.1480 -203548.6243 2561.9654 0.0000 0.0000 52012.4049 -109671.4581 298.9160 -161683.8630 -109318.7515 299.0985 225.7974 253.9883 758859.6035 8.9321 8.9636 PRESSURE: 4003600 -269.556 216.697 23.5745 216.698 -56.824 -12.1318 23.575 -12.1318 -153.724 GPRESSURE: 4003600 -206.122 51.7994 36.7739 186.526 -150.945 4.07063 106.32 -56.9609 -39.5133 PRESSAVG: 4003600 21.7252 14.9565 1.07796 14.9566 -78.4741 2.45367 1.078 2.45364 -1.9739 GPRESSAVG: 4003600 21.86 13.0942 2.67975 15.0102 -78.8111 2.26298 2.22385 0.0918865 -1.17986 TIMING: 4003600 CPU: 12653.5, 0.00317476/step Wall: 12653.5, 0.00317476/step, 0.878703 hours remaining, 237.273438 MB of memory in use. ENERGY: 4003600 3990.2193 20564.5865 14497.3034 245.1726 -203123.2240 2481.9915 0.0000 0.0000 51970.4904 -109373.4603 298.6751 -161343.9507 -109017.5258 298.8860 -160.0345 -132.1934 761752.0110 -19.5743 -19.3770 PRESSURE: 4003800 -308.844 139.696 25.8061 139.696 -328.332 -70.9883 25.8067 -70.9878 -118.425 GPRESSURE: 4003800 -225.039 73.6448 38.6926 184.043 -364.801 -78.1135 79.6899 6.08927 -85.4545 PRESSAVG: 4003800 31.4418 9.2163 -15.2415 9.21628 -62.3647 -9.52671 -15.2416 -9.52662 -12.8535 GPRESSAVG: 4003800 30.745 10.9062 -15.6025 8.6552 -61.231 -10.4294 -13.5907 -6.9756 -13.3978 TIMING: 4003800 CPU: 12654.1, 0.00316108/step Wall: 12654.1, 0.00316108/step, 0.874741 hours remaining, 237.273438 MB of memory in use. ENERGY: 4003800 4060.9270 20496.0257 14418.9976 235.0631 -203263.4527 2572.0035 0.0000 0.0000 52075.8189 -109404.6168 299.2804 -161480.4357 -109035.7589 300.1558 -251.8669 -225.0981 761634.3050 -14.5921 -14.6279 PRESSURE: 4004000 -146.58 -155.046 -71.9036 -155.046 156.375 -1.99123 -71.904 -1.9895 286.572 GPRESSURE: 4004000 -30.1989 -44.0813 -111.098 -110.343 135.525 5.59771 -41.1548 -78.7387 245.914 PRESSAVG: 4004000 43.2648 43.4208 -13.3406 43.4208 -46.3921 -21.6658 -13.3406 -21.6658 12.8395 GPRESSAVG: 4004000 44.627 43.994 -13.9892 43.8196 -48.1977 -19.622 -14.0285 -23.8397 12.6547 TIMING: 4004000 CPU: 12654.7, 0.00316409/step Wall: 12654.7, 0.00316409/step, 0.875398 hours remaining, 237.273438 MB of memory 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 3964.9716 20555.1194 14511.2213 236.0079 -203160.2324 2538.7660 0.0000 0.0000 52051.3054 -109302.8407 299.1396 -161354.1461 -108943.8388 299.3688 98.7890 117.0800 760915.3785 3.2374 3.0280 PRESSURE: 4004200 -111.444 182.266 127.74 182.267 239.928 51.4108 127.74 51.4093 201.218 GPRESSURE: 4004200 6.49573 245.865 125.937 102.991 205.863 35.1064 123.241 250.278 184.501 PRESSAVG: 4004200 24.6746 47.698 -6.80834 47.6979 -2.31613 -37.7438 -6.80829 -37.7438 20.0951 GPRESSAVG: 4004200 22.1651 48.6354 -7.36337 48.505 0.531983 -39.7864 -8.41589 -37.2488 19.5881 TIMING: 4004200 CPU: 12655.4, 0.00315098/step Wall: 12655.4, 0.00315098/step, 0.871597 hours remaining, 237.273438 MB of memory in use. ENERGY: 4004200 3936.0255 20587.1263 14449.7902 265.7700 -203429.9201 2742.6541 0.0000 0.0000 52346.2488 -109102.3053 300.8346 -161448.5541 -108744.8250 300.0840 109.9006 132.2868 760194.6654 14.1512 14.0950 LDB: ============= START OF LOAD BALANCING ============== 12667.9 LDB: ============== END OF LOAD BALANCING =============== 12667.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12667.9 LDB: ============= START OF LOAD BALANCING ============== 12668.2 LDB: Largest compute 7074 load 0.033598 is 17.2% of average load 0.195637 LDB: Average compute 0.004379 is 2.2% of average load 0.195637 LDB: TIME 12668.2 LOAD: AVG 0.195637 MAX 0.216986 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12668.2 LOAD: AVG 0.195637 MAX 0.216986 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 12668.2 LOAD: AVG 0.195637 MAX 0.216986 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 12668.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12668.2 PRESSURE: 4004400 -114.193 145.89 -0.566309 145.891 172.169 -187.654 -0.566164 -187.652 65.9999 GPRESSURE: 4004400 -62.7974 135.865 -77.8313 34.9272 266.537 -174.983 -72.8773 -164.049 -2.73635 PRESSAVG: 4004400 -11.6786 27.9257 7.99671 27.9257 15.0769 26.877 7.99673 26.8771 -17.858 GPRESSAVG: 4004400 -10.0082 27.8095 9.69892 26.3889 12.9827 28.0204 10.8756 27.8294 -18.1122 TIMING: 4004400 CPU: 12656, 0.0032191/step Wall: 12656, 0.0032191/step, 0.89026 hours remaining, 235.937500 MB of memory in use. ENERGY: 4004400 4024.9717 20639.3649 14538.1958 244.5727 -203478.7798 2770.4889 0.0000 0.0000 52355.9129 -108905.2730 300.8902 -161261.1859 -108544.8687 300.1870 41.3254 67.0009 762474.0185 -4.8199 -5.0459 PRESSURE: 4004600 -44.4148 -168.011 -144.49 -168.011 -537.473 -41.8611 -144.49 -41.8596 182.171 GPRESSURE: 4004600 -129.165 -211.473 -57.2754 -55.6486 -369.739 -39.5488 -83.9405 24.828 181.868 PRESSAVG: 4004600 20.9603 1.4258 11.2261 1.42579 -17.12 -8.03916 11.2261 -8.0392 -18.4085 GPRESSAVG: 4004600 19.0989 1.01056 10.7309 2.24841 -16.1921 -8.47481 9.80097 -8.23387 -17.1809 TIMING: 4004600 CPU: 12656.6, 0.0031558/step Wall: 12656.6, 0.0031558/step, 0.872578 hours remaining, 235.980469 MB of memory in use. ENERGY: 4004600 3995.7681 20521.2124 14413.0709 234.3628 -202866.0276 2448.4586 0.0000 0.0000 52162.4113 -109090.7435 299.7781 -161253.1548 -108720.1419 299.9479 -133.2388 -105.6787 761996.9764 -4.8561 -4.7580 PRESSURE: 4004800 -173.295 84.3787 -363.605 84.3791 -84.4469 -25.7486 -363.605 -25.7489 -6.31498 GPRESSURE: 4004800 -111.365 98.2362 -354.214 261.574 18.0005 -14.7694 -305.809 30.1853 -75.251 PRESSAVG: 4004800 9.03079 -5.29353 -49.8264 -5.29349 -16.1219 -61.4446 -49.8265 -61.4446 3.83304 GPRESSAVG: 4004800 10.2272 -6.99639 -49.2185 -4.47888 -16.5814 -62.2357 -50.4565 -59.3296 3.52715 TIMING: 4004800 CPU: 12657.3, 0.00315345/step Wall: 12657.3, 0.00315345/step, 0.871755 hours remaining, 235.980469 MB of memory in use. ENERGY: 4004800 3964.8138 20551.3913 14541.6914 240.0066 -203340.1178 2563.1821 0.0000 0.0000 52345.9417 -109133.0909 300.8328 -161479.0327 -108760.2137 299.8743 -88.0189 -56.2050 760250.2094 -1.0860 -0.9424 PRESSURE: 4005000 61.8899 -64.7645 -119.793 -64.7655 -463.988 -73.4838 -119.792 -73.4839 272.318 GPRESSURE: 4005000 31.0931 -114.527 -150.969 -85.2176 -361.371 -40.9583 -151.906 -7.46018 287.171 PRESSAVG: 4005000 -28.6499 51.6009 -4.83706 51.6009 -3.26366 12.5378 -4.83703 12.5377 0.99691 GPRESSAVG: 4005000 -29.9956 51.7748 -3.81434 51.4157 -2.0149 14.4017 -1.76313 10.5253 1.29107 TIMING: 4005000 CPU: 12657.9, 0.00315838/step Wall: 12657.9, 0.00315838/step, 0.872941 hours remaining, 235.980469 MB of memory in use. ENERGY: 4005000 4046.3869 20514.1633 14383.2843 255.0009 -203368.5878 2458.3954 0.0000 0.0000 52174.9073 -109536.4497 299.8499 -161711.3571 -109175.8830 299.5814 -43.2600 -14.3689 761303.1976 -10.3056 -10.2398 PRESSURE: 4005200 -58.1466 -13.6088 -67.8447 -13.6095 -70.4345 -262.791 -67.8444 -262.792 -107.764 GPRESSURE: 4005200 -1.54357 119.853 -21.9442 -100.734 -43.8983 -266.349 0.611641 -133.837 -86.3705 PRESSAVG: 4005200 44.7661 33.3763 42.319 33.3763 -82.1715 -23.9788 42.3191 -23.9788 -12.417 GPRESSAVG: 4005200 45.5515 36.1708 40.9173 31.1227 -82.4502 -25.87 40.9243 -23.4543 -12.9321 TIMING: 4005200 CPU: 12658.5, 0.00314802/step Wall: 12658.5, 0.00314802/step, 0.869904 hours remaining, 235.980469 MB of memory in use. ENERGY: 4005200 3955.2081 20549.2297 14397.0543 235.6575 -203191.5876 2510.4018 0.0000 0.0000 52059.5388 -109484.4974 299.1869 -161544.0362 -109131.1118 299.1241 -78.7816 -43.9375 761379.5906 -16.6075 -16.6103 PRESSURE: 4005400 -186.707 -35.2961 -240.355 -35.2963 -30.7955 -156.146 -240.356 -156.146 -107.212 GPRESSURE: 4005400 -164.724 -39.0599 -219.606 18.0957 -22.8604 -92.5162 -351.737 -199.114 -72.7479 PRESSAVG: 4005400 51.3027 -9.00642 -12.3769 -9.00646 -0.343413 -36.0798 -12.377 -36.0798 17.1129 GPRESSAVG: 4005400 51.7431 -9.85792 -11.4336 -6.45977 -1.19472 -36.5221 -13.1366 -34.7257 17.3054 TIMING: 4005400 CPU: 12659.2, 0.00316163/step Wall: 12659.2, 0.00316163/step, 0.873487 hours remaining, 235.980469 MB of memory in use. ENERGY: 4005400 4002.4533 20591.5463 14496.1326 247.6113 -203190.7715 2447.7435 0.0000 0.0000 52059.0126 -109346.2719 299.1839 -161405.2845 -108988.1825 299.3197 -108.2382 -86.7775 761114.2393 22.6907 22.6179 PRESSURE: 4005600 -311.502 -71.1915 -14.5957 -71.1911 -152.218 265.419 -14.5954 265.419 -589.149 GPRESSURE: 4005600 -401.054 -99.8653 60.1924 -82.9874 -62.3833 236.79 -25.4235 106.496 -509.131 PRESSAVG: 4005600 -54.3057 7.10666 47.1283 7.10664 16.7411 3.12815 47.1283 3.12808 -14.9889 GPRESSAVG: 4005600 -55.749 4.88192 47.2823 7.49814 17.2421 4.91096 46.3254 0.106263 -13.5178 TIMING: 4005600 CPU: 12659.8, 0.00315799/step Wall: 12659.8, 0.00315799/step, 0.872308 hours remaining, 235.980469 MB of memory in use. ENERGY: 4005600 3973.7970 20653.0099 14422.9476 238.0184 -203141.3097 2374.2887 0.0000 0.0000 52248.5330 -109230.7152 300.2730 -161479.2483 -108858.4600 299.2996 -350.9564 -324.1896 762038.4217 -17.5179 -17.3416 PRESSURE: 4005800 -47.4163 8.8249 -28.5915 8.82466 -468.769 22.0773 -28.5913 22.0781 -118.043 GPRESSURE: 4005800 18.2196 -71.9629 -0.356884 88.9379 -501.066 72.0421 62.6658 45.3328 -89.8468 PRESSAVG: 4005800 3.81169 -38.2639 12.9876 -38.2639 -11.6691 -4.45122 12.9876 -4.45106 24.0764 GPRESSAVG: 4005800 5.48783 -37.4418 11.307 -38.172 -12.974 -4.08375 12.7422 -5.22572 23.8908 TIMING: 4005800 CPU: 12660.4, 0.00313664/step Wall: 12660.4, 0.00313664/step, 0.866234 hours remaining, 235.980469 MB of memory in use. ENERGY: 4005800 4043.8348 20693.4371 14421.0859 249.0619 -203784.8074 2752.3612 0.0000 0.0000 52128.8610 -109496.1656 299.5853 -161625.0266 -109134.8359 299.4826 -211.4094 -190.8977 761161.2511 5.4063 5.4682 PRESSURE: 4006000 -144.923 144.152 221.112 144.152 -111.69 -38.5467 221.112 -38.5459 90.5262 GPRESSURE: 4006000 -37.7901 115.38 165.89 211.736 -107.747 -145.854 162.243 44.4218 70.5965 PRESSAVG: 4006000 29.508 32.1167 27.1583 32.1166 -4.84839 19.9979 27.1583 19.9979 -7.34901 GPRESSAVG: 4006000 30.7964 33.3983 27.156 31.4319 -5.83086 17.5243 29.0408 22.7755 -7.16059 TIMING: 4006000 CPU: 12661, 0.00313319/step Wall: 12661, 0.00313319/step, 0.865109 hours remaining, 235.980469 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: 4006000 3961.2556 20603.6396 14400.4995 242.3292 -203414.8136 2693.1829 0.0000 0.0000 52057.6800 -109456.2268 299.1762 -161513.9068 -109093.1513 299.3201 -55.3625 -24.9802 760836.8173 5.7702 5.9350 PRESSURE: 4006200 -190.03 184.813 46.9708 184.813 -255.393 220.523 46.9704 220.523 -217.103 GPRESSURE: 4006200 -218.417 63.0611 -72.4184 57.6493 -166.753 226.508 80.2296 223.438 -165.759 PRESSAVG: 4006200 -2.91449 43.6301 -57.7515 43.63 34.6244 -1.26165 -57.7514 -1.26173 3.46537 GPRESSAVG: 4006200 -5.26813 44.0101 -59.2808 42.0455 36.6291 0.828486 -56.4509 -2.37302 3.92917 TIMING: 4006200 CPU: 12661.7, 0.00314141/step Wall: 12661.7, 0.00314141/step, 0.867204 hours remaining, 235.980469 MB of memory in use. ENERGY: 4006200 3953.5398 20463.0563 14460.9035 254.7568 -203038.6485 2280.6654 0.0000 0.0000 52141.3152 -109484.4113 299.6569 -161625.7265 -109109.0903 299.3700 -220.8420 -183.6430 761528.0739 11.7251 11.7634 PRESSURE: 4006400 -269.284 8.59934 147.785 8.59994 288.396 53.4697 147.785 53.4695 -48.1064 GPRESSURE: 4006400 -180.992 -55.0859 182.858 -29.4842 318.356 73.1092 207.201 79.113 -89.1395 PRESSAVG: 4006400 -1.67045 2.87776 -1.17929 2.87777 19.894 15.0532 -1.17933 15.0533 15.0319 GPRESSAVG: 4006400 -1.78142 0.478985 -0.743875 3.32457 19.9403 13.3413 -3.2244 15.259 14.8537 TIMING: 4006400 CPU: 12662.3, 0.00314497/step Wall: 12662.3, 0.00314497/step, 0.868013 hours remaining, 235.980469 MB of memory in use. ENERGY: 4006400 3983.5438 20557.5666 14476.4879 229.9793 -203405.9329 2790.9287 0.0000 0.0000 51998.9861 -109368.4405 298.8389 -161367.4266 -109006.1252 298.9405 -9.6646 16.0747 759990.4328 11.0851 11.0042 PRESSURE: 4006600 218.537 -117.532 -200.606 -117.532 204.007 -2.02725 -200.605 -2.02634 495.777 GPRESSURE: 4006600 252.032 -104.364 -84.9008 -124.458 254.916 -28.703 -225.274 36.1191 483.81 PRESSAVG: 4006600 40.9482 1.14721 40.2138 1.14717 3.20133 53.8537 40.2138 53.8537 3.79092 GPRESSAVG: 4006600 41.8042 2.1075 42.2775 2.86369 2.69493 55.3587 40.5287 54.0461 3.15282 TIMING: 4006600 CPU: 12662.9, 0.00314776/step Wall: 12662.9, 0.00314776/step, 0.868606 hours remaining, 235.980469 MB of memory in use. ENERGY: 4006600 3934.0077 20575.1859 14470.0487 248.9597 -203404.2473 2710.0338 0.0000 0.0000 52086.4118 -109379.5997 299.3413 -161466.0115 -109007.9740 299.5837 306.1071 330.2528 759503.1018 15.9801 15.8840 PRESSURE: 4006800 102.091 44.2171 -86.18 44.2165 -2.39888 0.5018 -86.1812 0.501349 34.5336 GPRESSURE: 4006800 128.895 44.772 -224.947 59.0067 50.0939 -28.0967 -45.9145 -50.9784 47.4002 PRESSAVG: 4006800 21.5242 -33.1216 16.807 -33.1215 -35.2018 1.31571 16.807 1.31572 -20.1013 GPRESSAVG: 4006800 21.4329 -34.2226 14.3011 -33.0913 -35.5532 0.832992 18.185 4.47317 -19.3038 TIMING: 4006800 CPU: 12663.5, 0.00312886/step Wall: 12663.5, 0.00312886/step, 0.863218 hours remaining, 235.980469 MB of memory in use. ENERGY: 4006800 4014.3604 20653.8761 14398.2696 244.6025 -203959.9898 2880.6101 0.0000 0.0000 52379.2980 -109388.9731 301.0245 -161768.2711 -109018.5541 299.8684 44.7418 75.4632 759511.6124 -11.2596 -11.1413 PRESSURE: 4007000 -62.8977 -288.432 -149.604 -288.431 -87.9427 -77.3217 -149.603 -77.3216 200.72 GPRESSURE: 4007000 6.58019 -112.689 -80.9991 -320.22 -50.4116 59.982 -10.3107 -118.047 190.763 PRESSAVG: 4007000 -3.29681 -51.0777 -31.783 -51.0777 26.4258 -7.93415 -31.7831 -7.93402 44.5354 GPRESSAVG: 4007000 -2.58557 -51.0572 -31.4483 -50.8925 26.7103 -5.73239 -31.1267 -10.0967 44.3875 TIMING: 4007000 CPU: 12664.2, 0.0031356/step Wall: 12664.2, 0.0031356/step, 0.864904 hours remaining, 235.980469 MB of memory in use. ENERGY: 4007000 4017.2255 20561.6640 14404.4530 255.9165 -203406.3962 2440.3466 0.0000 0.0000 52425.9885 -109300.8021 301.2929 -161726.7906 -108933.4379 299.7891 16.6265 48.9773 761269.8469 22.5548 22.8374 PRESSURE: 4007200 -290.987 28.5773 -44.0832 28.5781 -259.21 -168.048 -44.0831 -168.049 183.928 GPRESSURE: 4007200 -256.568 -57.5535 18.9636 105.434 -192.43 -199.186 -70.4047 -159.442 167.952 PRESSAVG: 4007200 82.864 -51.6946 -28.7302 -51.6946 -45.3428 21.5025 -28.7302 21.5025 8.95357 GPRESSAVG: 4007200 81.1885 -50.7584 -28.5721 -51.5792 -43.9731 21.3797 -28.2681 20.0748 8.86174 TIMING: 4007200 CPU: 12664.8, 0.00316675/step Wall: 12664.8, 0.00316675/step, 0.87332 hours remaining, 235.980469 MB of memory in use. ENERGY: 4007200 3992.6596 20551.0195 14453.8178 249.4257 -203516.7424 2412.9861 0.0000 0.0000 52311.2453 -109545.5885 300.6334 -161856.8337 -109172.8955 299.8130 -122.0896 -93.6821 760894.5115 15.4916 15.3591 PRESSURE: 4007400 233.465 -101.235 103.529 -101.234 -315.37 51.5817 103.528 51.5814 104.984 GPRESSURE: 4007400 246.603 -190.17 59.5034 -124.923 -236.319 -5.35983 4.81839 34.6732 105.249 PRESSAVG: 4007400 21.2528 -58.6739 -51.1117 -58.6739 -59.3182 11.6433 -51.1117 11.6433 20.5734 GPRESSAVG: 4007400 23.0646 -59.7852 -50.5244 -60.1754 -59.5631 10.1393 -53.541 12.2207 18.9957 TIMING: 4007400 CPU: 12665.4, 0.00317953/step Wall: 12665.4, 0.00317953/step, 0.876668 hours remaining, 235.980469 MB of memory in use. ENERGY: 4007400 4010.9058 20617.4316 14523.1642 246.9477 -203513.1619 2718.3962 0.0000 0.0000 51932.5346 -109463.7818 298.4570 -161396.3164 -109107.3109 299.1999 7.6929 38.5114 762469.4528 -5.8307 -5.8343 PRESSURE: 4007600 -44.0241 69.1596 114.477 69.1595 -411.588 83.8237 114.475 83.8239 -200.426 GPRESSURE: 4007600 -23.7195 166.829 98.4435 131.365 -354.495 17.4438 81.1019 153.058 -188.865 PRESSAVG: 4007600 -6.24082 -55.553 -23.2439 -55.553 -19.9398 18.0226 -23.2439 18.0226 -9.07623 GPRESSAVG: 4007600 -7.92054 -53.7039 -24.6716 -53.0882 -20.023 17.68 -22.7375 17.3422 -7.71288 TIMING: 4007600 CPU: 12666.1, 0.00317175/step Wall: 12666.1, 0.00317175/step, 0.874345 hours remaining, 235.980469 MB of memory in use. ENERGY: 4007600 4020.1183 20443.1786 14367.5808 257.4541 -203567.7427 2681.6206 0.0000 0.0000 52201.6699 -109596.1204 300.0037 -161797.7903 -109216.0321 299.5388 -218.6793 -189.0264 763449.7635 -11.7523 -11.8855 PRESSURE: 4007800 131.829 -39.6494 364.386 -39.649 -117.209 207.018 364.387 207.018 222.34 GPRESSURE: 4007800 201.929 -49.0964 394.088 -67.705 -80.2208 199.355 248.409 173.599 199.636 PRESSAVG: 4007800 -16.1798 -25.4765 -49.1105 -25.4765 -20.7168 -28.0391 -49.1105 -28.0391 -3.6069 GPRESSAVG: 4007800 -14.8737 -24.3821 -46.835 -28.1344 -22.5594 -29.9186 -48.3905 -26.8453 -3.4905 TIMING: 4007800 CPU: 12666.7, 0.00315754/step Wall: 12666.7, 0.00315754/step, 0.870254 hours remaining, 235.980469 MB of memory in use. ENERGY: 4007800 3969.6069 20769.8644 14459.0284 249.9709 -203901.9994 2883.3637 0.0000 0.0000 51948.6449 -109621.5203 298.5496 -161570.1652 -109269.5673 299.2074 78.9865 107.1145 760331.5193 -13.5012 -13.6412 PRESSURE: 4008000 86.7957 61.6677 -197.843 61.6666 -90.2393 191.208 -197.843 191.209 38.7102 GPRESSURE: 4008000 29.531 118.652 -121.592 23.8879 -29.6316 135.266 -190.501 218.462 110.891 PRESSAVG: 4008000 27.5559 18.0552 17.7982 18.0552 -0.416522 5.62356 17.7981 5.62366 1.57782 GPRESSAVG: 4008000 27.867 15.6881 16.942 18.5926 1.19905 7.73423 17.7515 5.78737 -0.101152 TIMING: 4008000 CPU: 12667.3, 0.00314412/step Wall: 12667.3, 0.00314412/step, 0.86638 hours remaining, 235.980469 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: 4008000 4038.1611 20604.4284 14464.0423 249.0019 -204008.6505 2856.1685 0.0000 0.0000 52269.5796 -109527.2687 300.3940 -161796.8483 -109163.0506 298.9769 11.7555 36.9300 761395.0585 9.5724 9.6550 PRESSURE: 4008200 -277.692 145.388 -203.327 145.388 -535.242 -138.413 -203.326 -138.413 -220.369 GPRESSURE: 4008200 -290.003 154.57 -98.1611 102.382 -399.04 -101.568 -222.819 -43.7964 -259.433 PRESSAVG: 4008200 32.2555 10.2354 4.84968 10.2355 -16.3326 -21.2679 4.8497 -21.268 -14.168 GPRESSAVG: 4008200 32.4536 11.7989 4.43476 9.42323 -16.5907 -21.4982 4.06919 -21.4531 -13.9176 TIMING: 4008200 CPU: 12668, 0.00314354/step Wall: 12668, 0.00314354/step, 0.866044 hours remaining, 235.980469 MB of memory in use. ENERGY: 4008200 4072.9544 20514.3509 14503.9997 257.8683 -203545.7342 2551.0366 0.0000 0.0000 52175.9410 -109469.5833 299.8558 -161645.5242 -109098.9257 299.6999 -344.4343 -316.1587 762363.6964 0.5849 0.6485 LDB: ============= START OF LOAD BALANCING ============== 12680.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12680.5 LDB: =============== DONE WITH MIGRATION ================ 12680.5 LDB: ============= START OF LOAD BALANCING ============== 12680.8 LDB: Largest compute 7044 load 0.033088 is 16.9% of average load 0.195641 LDB: Average compute 0.004388 is 2.2% of average load 0.195641 LDB: TIME 12680.8 LOAD: AVG 0.195641 MAX 0.212472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 12680.8 LOAD: AVG 0.195641 MAX 0.212472 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.234 MB LDB: TIME 12680.8 LOAD: AVG 0.195641 MAX 0.212472 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.234 MB LDB: ============== END OF LOAD BALANCING =============== 12680.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12680.8 PRESSURE: 4008400 192.269 5.65142 33.3203 5.65163 -100.459 69.4055 33.32 69.4068 -56.1882 GPRESSURE: 4008400 220.353 7.38534 33.6215 -59.3118 -35.2498 45.1819 70.2646 -7.7774 -63.5649 PRESSAVG: 4008400 19.5986 -28.9681 21.1053 -28.9681 1.96491 37.3516 21.1053 37.3516 7.10366 GPRESSAVG: 4008400 19.1132 -29.3951 20.8588 -28.0199 2.05467 38.1486 21.5555 37.5321 7.5564 TIMING: 4008400 CPU: 12668.6, 0.00323505/step Wall: 12668.6, 0.00323505/step, 0.891077 hours remaining, 235.511719 MB of memory in use. ENERGY: 4008400 3975.9656 20627.3838 14470.8636 250.4232 -203343.4231 2469.1198 0.0000 0.0000 52078.2175 -109471.4496 299.2942 -161549.6672 -109108.8220 299.0947 11.8739 40.5127 763293.0900 9.5557 9.5748 PRESSURE: 4008600 294.363 54.2799 -167.548 54.28 -154.856 119.135 -167.548 119.135 -5.95969 GPRESSURE: 4008600 285.7 -4.62013 -126.649 -28.0453 -81.2701 53.812 -205.199 32.8858 -11.2763 PRESSAVG: 4008600 23.0657 47.7335 -33.6843 47.7335 -19.8992 7.09345 -33.6844 7.09345 13.5111 GPRESSAVG: 4008600 22.7356 47.8723 -32.299 47.6712 -19.7727 5.9918 -31.9278 6.9123 13.2969 TIMING: 4008600 CPU: 12669.3, 0.00317304/step Wall: 12669.3, 0.00317304/step, 0.87382 hours remaining, 235.714844 MB of memory in use. ENERGY: 4008600 3997.7528 20774.1847 14442.9721 241.2404 -203790.5464 2791.0199 0.0000 0.0000 52269.5239 -109273.8526 300.3937 -161543.3765 -108914.3890 299.4898 44.5159 64.3846 762047.5003 5.5592 5.4200 PRESSURE: 4008800 -85.4309 -8.20955 -188.217 -8.20834 -621.828 84.0918 -188.218 84.0927 -375.794 GPRESSURE: 4008800 -67.2237 18.7487 -144.8 -1.86467 -528.947 88.1949 -133.644 59.4474 -425.257 PRESSAVG: 4008800 81.7667 21.3331 -31.6741 21.3331 -62.9 -0.865727 -31.6741 -0.865687 -0.261764 GPRESSAVG: 4008800 80.8792 20.1892 -32.3856 22.0754 -61.1305 0.283796 -31.6901 -0.383151 -0.852999 TIMING: 4008800 CPU: 12669.9, 0.00315864/step Wall: 12669.9, 0.00315864/step, 0.86968 hours remaining, 235.714844 MB of memory in use. ENERGY: 4008800 4068.2124 20527.0129 14488.0619 249.0591 -203433.7115 2683.5751 0.0000 0.0000 52001.9864 -109415.8035 298.8561 -161417.7900 -109060.3456 299.4817 -361.0176 -340.4760 763426.8284 6.2017 6.2986 PRESSURE: 4009000 -60.6342 97.0379 128.798 97.0387 -42.4678 -88.8932 128.798 -88.894 -125.353 GPRESSURE: 4009000 -37.6407 -2.64392 216.325 135.582 -59.285 -138.476 119.884 60.7855 -41.9215 PRESSAVG: 4009000 53.2211 2.5487 -47.7985 2.5487 -18.6679 -32.2779 -47.7985 -32.278 12.9156 GPRESSAVG: 4009000 54.8909 -0.273851 -48.2075 4.85861 -20.2954 -34.6948 -48.3434 -32.1994 13.3144 TIMING: 4009000 CPU: 12670.5, 0.00314233/step Wall: 12670.5, 0.00314233/step, 0.865012 hours remaining, 235.714844 MB of memory in use. ENERGY: 4009000 3970.4427 20670.7799 14458.1013 257.1060 -203392.0142 2634.5784 0.0000 0.0000 51980.9506 -109420.0553 298.7352 -161401.0058 -109058.9051 299.0158 -76.1517 -46.2824 761921.8039 15.8229 15.9700 PRESSURE: 4009200 -159.832 156.066 79.6181 156.066 45.9991 -98.1963 79.618 -98.1957 -22.3758 GPRESSURE: 4009200 -126.496 337.358 17.6698 75.852 32.3695 -80.9569 81.2665 -114.286 41.8702 PRESSAVG: 4009200 5.18177 17.5746 -74.5478 17.5747 -5.47675 9.36659 -74.5478 9.36662 -2.46508 GPRESSAVG: 4009200 4.69071 20.9764 -74.6777 12.484 -5.89558 12.1915 -75.4044 9.09144 -1.5954 TIMING: 4009200 CPU: 12671.1, 0.00313658/step Wall: 12671.1, 0.00313658/step, 0.863257 hours remaining, 235.714844 MB of memory in use. ENERGY: 4009200 3981.4774 20570.9920 14531.1174 253.8891 -203744.9694 2940.6903 0.0000 0.0000 52225.9706 -109240.8326 300.1434 -161466.8032 -108889.0781 299.6808 -45.4028 -17.4186 762847.0471 -0.9200 -0.9334 PRESSURE: 4009400 -279.97 193.051 25.7077 193.052 -261.317 -297.946 25.7076 -297.945 -124.509 GPRESSURE: 4009400 -208.843 105.08 -83.0846 301.785 -158.411 -265.954 115.636 -168.345 -200.536 PRESSAVG: 4009400 -42.1823 19.8645 8.94385 19.8645 52.5108 25.0404 8.94387 25.0405 -0.0870911 GPRESSAVG: 4009400 -41.9702 19.4259 10.6367 23.3353 52.8919 23.3202 8.56626 27.9429 -0.894492 TIMING: 4009400 CPU: 12671.8, 0.00313763/step Wall: 12671.8, 0.00313763/step, 0.863372 hours remaining, 235.714844 MB of memory in use. ENERGY: 4009400 3989.8482 20649.9863 14483.0864 238.4791 -203079.3140 2496.4317 0.0000 0.0000 51997.9050 -109223.5773 298.8327 -161221.4823 -108863.3087 299.8623 -221.9320 -189.2634 764540.7659 3.4138 3.3424 PRESSURE: 4009600 91.5735 158.856 31.2572 158.856 240.352 -44.6668 31.258 -44.6667 140.848 GPRESSURE: 4009600 46.055 181.994 117.574 18.0337 312.601 -90.2946 51.6797 -135.72 196.867 PRESSAVG: 4009600 -1.79494 6.02323 0.868083 6.02334 56.6019 40.2548 0.868119 40.2548 9.03197 GPRESSAVG: 4009600 -2.46947 6.0707 0.135942 4.64344 56.8068 41.5035 1.55582 37.8915 9.20752 TIMING: 4009600 CPU: 12672.4, 0.00315642/step Wall: 12672.4, 0.00315642/step, 0.868365 hours remaining, 235.714844 MB of memory in use. ENERGY: 4009600 3983.6765 20720.2218 14416.0350 222.2274 -203549.1807 2838.4988 0.0000 0.0000 52205.4665 -109163.0547 300.0255 -161368.5212 -108805.2817 300.2415 157.5913 185.1743 762051.7546 21.2796 21.1816 PRESSURE: 4009800 -308.827 -42.2821 42.6983 -42.2818 88.6504 55.8067 42.6987 55.8061 -21.3427 GPRESSURE: 4009800 -214.15 -0.629601 116.403 -33.5054 61.227 65.9766 -24.2249 15.668 -35.0701 PRESSAVG: 4009800 2.4175 44.7186 -5.82158 44.7186 29.1433 -49.043 -5.82159 -49.0429 -5.29077 GPRESSAVG: 4009800 2.06935 45.4604 -5.60169 46.038 29.2291 -50.19 -5.63371 -49.659 -5.09392 TIMING: 4009800 CPU: 12673, 0.00316345/step Wall: 12673, 0.00316345/step, 0.870126 hours remaining, 235.714844 MB of memory in use. ENERGY: 4009800 4038.7995 20593.9553 14418.4477 237.4722 -203236.5216 2702.8893 0.0000 0.0000 52135.9667 -109108.9909 299.6261 -161244.9576 -108742.5730 300.5309 -80.5063 -62.6643 763821.4442 8.7567 8.7349 PRESSURE: 4010000 217.871 44.5949 -88.004 44.5955 -69.0499 -272.643 -88.0038 -272.645 250.208 GPRESSURE: 4010000 255.017 35.2143 -97.7697 137.292 71.993 -216.66 -31.9858 -303.944 178.786 PRESSAVG: 4010000 30.9649 -7.54259 -16.6103 -7.54264 -22.5344 11.9691 -16.6103 11.9691 9.1959 GPRESSAVG: 4010000 31.0925 -9.05226 -17.7881 -6.93934 -21.5145 14.0254 -15.7279 12.5614 8.8074 TIMING: 4010000 CPU: 12673.7, 0.00315597/step Wall: 12673.7, 0.00315597/step, 0.867892 hours remaining, 235.917969 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: 4010000 3912.1907 20560.4077 14433.6310 250.7556 -203408.1403 2834.4233 0.0000 0.0000 52113.9418 -109302.7902 299.4995 -161416.7320 -108933.7200 299.9965 133.0097 168.5987 760089.7539 5.8755 6.1285 PRESSURE: 4010200 292.112 170.705 86.5711 170.705 -198.583 -275.378 86.5707 -275.378 -167.805 GPRESSURE: 4010200 307.781 92.5265 53.3556 217.187 -126.499 -215.814 7.07923 -269.626 -145.745 PRESSAVG: 4010200 -67.0979 -82.2047 43.5765 -82.2047 45.3196 -36.7354 43.5765 -36.7354 4.83005 GPRESSAVG: 4010200 -66.465 -79.743 42.9293 -83.9357 44.5602 -39.4049 41.5355 -37.0749 5.00357 TIMING: 4010200 CPU: 12674.3, 0.00315866/step Wall: 12674.3, 0.00315866/step, 0.868456 hours remaining, 235.917969 MB of memory in use. ENERGY: 4010200 3941.0704 20506.4798 14388.5129 242.8865 -203574.1663 2807.3047 0.0000 0.0000 51989.2278 -109698.6841 298.7828 -161687.9118 -109332.2655 298.7492 -24.7590 11.8456 761479.8219 -5.6494 -5.6338 PRESSURE: 4010400 137.612 76.6906 -149.287 76.6902 131.638 78.7783 -149.288 78.7778 -6.27216 GPRESSURE: 4010400 95.7628 59.4453 -50.4619 66.4818 202.802 133.182 -22.8885 25.5893 55.6354 PRESSAVG: 4010400 20.3563 -70.1537 16.1464 -70.1537 50.1549 -21.9648 16.1464 -21.9649 -23.8719 GPRESSAVG: 4010400 18.9539 -71.4803 18.8881 -68.521 49.6445 -20.622 16.516 -21.1085 -22.4437 TIMING: 4010400 CPU: 12674.9, 0.00315484/step Wall: 12674.9, 0.00315484/step, 0.86723 hours remaining, 235.917969 MB of memory in use. ENERGY: 4010400 3962.4620 20462.2042 14417.4924 271.3965 -203672.8628 2953.0864 0.0000 0.0000 52084.5879 -109521.6334 299.3308 -161606.2213 -109155.7821 298.9036 87.6592 118.0666 760626.0717 15.5464 15.3849 PRESSURE: 4010600 115.28 -173.191 213.457 -173.19 159.103 34.1594 213.457 34.1605 238.265 GPRESSURE: 4010600 66.1725 -187.904 157.827 -97.4967 203.057 -30.1842 161.844 157.708 314.323 PRESSAVG: 4010600 -58.6934 -11.635 -4.71739 -11.6351 41.728 -8.34755 -4.71742 -8.34755 -16.1692 GPRESSAVG: 4010600 -58.0755 -13.1589 -7.75858 -12.6576 42.7172 -8.44746 -2.54392 -8.78895 -17.4739 TIMING: 4010600 CPU: 12675.6, 0.00314103/step Wall: 12675.6, 0.00314103/step, 0.86326 hours remaining, 235.917969 MB of memory in use. ENERGY: 4010600 3946.9521 20483.5174 14412.5450 236.2735 -203550.4953 2843.3430 0.0000 0.0000 52252.4680 -109375.3963 300.2957 -161627.8643 -109001.6860 299.7542 170.8824 194.5177 761983.9437 -11.0449 -10.9440 PRESSURE: 4010800 -137.994 146.903 -126.34 146.903 -128.276 29.8179 -126.339 29.819 246.554 GPRESSURE: 4010800 -138.43 225.792 -186.778 102.283 -50.2772 -1.76157 -103.807 50.6906 261.664 PRESSAVG: 4010800 -19.2585 -16.514 -1.40302 -16.514 43.2461 14.8603 -1.40293 14.8604 -28.9259 GPRESSAVG: 4010800 -19.9649 -14.319 -0.982026 -15.4326 43.4582 15.5129 -2.36219 12.3404 -28.9215 TIMING: 4010800 CPU: 12676.2, 0.00315457/step Wall: 12676.2, 0.00315457/step, 0.866804 hours remaining, 235.917969 MB of memory in use. ENERGY: 4010800 4015.1888 20632.0818 14345.1009 273.6736 -203561.0462 2919.9390 0.0000 0.0000 51974.6639 -109400.3983 298.6991 -161375.0622 -109048.3819 299.9627 -6.5722 24.3190 762820.2314 -1.6461 -1.8094 PRESSURE: 4011000 0.257627 -31.2408 39.4902 -31.2415 133.643 104.858 39.4899 104.857 -147.556 GPRESSURE: 4011000 25.1055 -69.2532 82.4012 -46.4299 205.427 23.5352 73.7103 137.395 -156.072 PRESSAVG: 4011000 23.9241 -33.8138 -26.2108 -33.8138 8.49935 -59.0597 -26.2107 -59.0597 7.63859 GPRESSAVG: 4011000 25.0608 -33.2043 -25.6807 -33.615 8.60895 -60.4853 -27.2449 -56.4125 6.20803 TIMING: 4011000 CPU: 12676.8, 0.00316204/step Wall: 12676.8, 0.00316204/step, 0.868684 hours remaining, 235.917969 MB of memory in use. ENERGY: 4011000 3945.6891 20640.6555 14336.2991 265.1484 -203510.0384 2755.8552 0.0000 0.0000 52010.7503 -109555.6408 298.9065 -161566.3911 -109186.1449 299.5093 -4.5520 24.8204 762970.4658 13.3540 13.2926 PRESSURE: 4011200 161.16 -184.084 -79.5805 -184.084 -101.601 147.288 -79.5806 147.288 -36.1505 GPRESSURE: 4011200 142.279 -48.1141 -90.6778 -122.607 -25.3178 189.692 7.60706 92.2796 -7.97008 PRESSAVG: 4011200 0.965866 17.0909 13.0079 17.0909 -0.309721 9.25541 13.0079 9.25544 21.2285 GPRESSAVG: 4011200 -1.50789 17.3795 12.9597 15.5929 -0.104912 9.11168 12.2552 6.82637 23.078 TIMING: 4011200 CPU: 12677.5, 0.00317647/step Wall: 12677.5, 0.00317647/step, 0.87247 hours remaining, 235.917969 MB of memory in use. ENERGY: 4011200 4011.7113 20545.5267 14346.2376 272.3946 -203045.5132 2495.6007 0.0000 0.0000 52066.8863 -109307.1559 299.2291 -161374.0422 -108946.0198 299.0929 7.8029 36.3303 762728.2307 7.2949 7.1551 PRESSURE: 4011400 -19.5279 194.117 6.28803 194.117 178.188 10.689 6.28897 10.6896 347.152 GPRESSURE: 4011400 21.4765 135.402 3.76825 281.795 213.608 67.4985 -82.108 60.1502 350.534 PRESSAVG: 4011400 19.6411 -6.83305 -22.7686 -6.83304 -30.6258 26.2455 -22.7686 26.2455 -6.97081 GPRESSAVG: 4011400 20.3704 -9.04752 -22.711 -3.3488 -31.7201 27.001 -20.8105 29.3856 -6.67845 TIMING: 4011400 CPU: 12678.1, 0.00317294/step Wall: 12678.1, 0.00317294/step, 0.871325 hours remaining, 235.917969 MB of memory in use. ENERGY: 4011400 3975.8644 20487.3680 14479.2700 236.4120 -203376.8332 2603.0373 0.0000 0.0000 51966.1138 -109628.7676 298.6500 -161594.8814 -109256.3392 299.1465 168.6040 195.2062 763078.5086 -5.9852 -6.0094 PRESSURE: 4011600 69.6426 -6.77826 13.2679 -6.77831 -149.343 -105.948 13.2683 -105.947 483.074 GPRESSURE: 4011600 4.76367 15.6575 70.0237 -2.21295 -20.0867 -86.4243 -91.532 -210.683 479.41 PRESSAVG: 4011600 14.2315 14.7068 -20.6987 14.7068 -14.1844 -3.47255 -20.6987 -3.47256 18.5605 GPRESSAVG: 4011600 14.5848 12.9525 -20.8518 12.2758 -14.8097 -3.64557 -21.6782 -5.23399 18.8151 TIMING: 4011600 CPU: 12678.7, 0.00317099/step Wall: 12678.7, 0.00317099/step, 0.870614 hours remaining, 235.917969 MB of memory in use. ENERGY: 4011600 3969.2669 20542.0513 14383.3263 239.3700 -203477.0046 2708.8107 0.0000 0.0000 51986.2593 -109647.9201 298.7657 -161634.1795 -109288.3844 298.8309 134.4578 154.6957 763844.9925 6.2025 6.1967 PRESSURE: 4011800 4.01643 -43.6957 36.4449 -43.6954 2.85217 228.483 36.4441 228.484 52.2367 GPRESSURE: 4011800 68.613 -142.127 57.0654 -63.1838 -20.1123 244.657 44.3064 165.916 120.305 PRESSAVG: 4011800 8.89075 -64.0171 -8.56173 -64.017 -16.5002 21.9011 -8.56172 21.9011 -7.99793 GPRESSAVG: 4011800 9.8554 -62.2596 -7.42151 -65.0258 -16.8525 22.2242 -6.71092 21.9958 -8.76612 TIMING: 4011800 CPU: 12679.4, 0.00317352/step Wall: 12679.4, 0.00317352/step, 0.871131 hours remaining, 235.917969 MB of memory in use. ENERGY: 4011800 4041.0395 20693.0531 14374.7589 225.4006 -203521.1876 2658.4899 0.0000 0.0000 52030.6733 -109497.7722 299.0210 -161528.4455 -109140.1691 298.9576 19.7018 56.2684 763195.0618 -5.2025 -5.2544 PRESSURE: 4012000 129.121 78.542 192.077 78.5417 5.77415 -197.232 192.077 -197.231 -71.2553 GPRESSURE: 4012000 127.772 90.1786 271.231 97.634 45.4255 -188.765 183.025 -151.512 -13.198 PRESSAVG: 4012000 20.1016 -4.98827 -16.7698 -4.98826 28.8381 24.2306 -16.7698 24.2305 1.95186 GPRESSAVG: 4012000 19.1652 -4.54816 -16.8759 -4.0488 31.169 25.5617 -17.8709 22.4356 1.05269 TIMING: 4012000 CPU: 12680, 0.00316914/step Wall: 12680, 0.00316914/step, 0.869754 hours remaining, 235.917969 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: 4012000 3966.7225 20645.0983 14385.9068 248.3513 -203957.4304 2829.6854 0.0000 0.0000 52347.2888 -109534.3774 300.8406 -161881.6662 -109178.4946 299.9922 21.2134 53.3332 762766.0470 16.9639 17.1290 PRESSURE: 4012200 -69.7818 34.9678 15.9111 34.9677 -2.91516 97.2403 15.9113 97.2405 266.381 GPRESSURE: 4012200 -45.2288 89.3143 60.5182 -4.59821 63.9424 4.93402 155.391 51.2115 263.662 PRESSAVG: 4012200 48.0629 -36.9207 23.766 -36.9206 -2.34469 21.5795 23.766 21.5796 15.2003 GPRESSAVG: 4012200 47.9438 -35.6772 21.8584 -37.9396 -3.94753 20.5645 24.8468 23.9059 17.0678 TIMING: 4012200 CPU: 12680.6, 0.00316634/step Wall: 12680.6, 0.00316634/step, 0.868809 hours remaining, 235.917969 MB of memory in use. ENERGY: 4012200 4016.7064 20447.5592 14459.8079 240.8775 -203759.0495 2671.7311 0.0000 0.0000 52164.4399 -109757.9275 299.7898 -161922.3674 -109405.3744 299.4085 64.5614 94.1253 760525.9156 20.3062 20.3547 LDB: ============= START OF LOAD BALANCING ============== 12693.2 LDB: ============== END OF LOAD BALANCING =============== 12693.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12693.2 LDB: ============= START OF LOAD BALANCING ============== 12693.5 LDB: Largest compute 7058 load 0.031528 is 16.1% of average load 0.195724 LDB: Average compute 0.004374 is 2.2% of average load 0.195724 LDB: TIME 12693.5 LOAD: AVG 0.195724 MAX 0.212994 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 12693.5 LOAD: AVG 0.195724 MAX 0.212994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: TIME 12693.5 LOAD: AVG 0.195724 MAX 0.212994 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12693.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12693.5 PRESSURE: 4012400 343.298 83.3809 -118.78 83.3814 -85.4425 224.477 -118.78 224.477 -166.996 GPRESSURE: 4012400 395.685 7.0086 -115.457 87.6346 -96.722 275.081 -61.089 134.224 -115.521 PRESSAVG: 4012400 51.2465 -46.8992 9.27307 -46.8992 -9.76638 35.5642 9.27308 35.5643 -24.3004 GPRESSAVG: 4012400 51.8243 -48.0779 10.4788 -46.6941 -9.30957 35.4479 10.1494 34.0533 -25.1898 TIMING: 4012400 CPU: 12681.3, 0.00324729/step Wall: 12681.3, 0.00324729/step, 0.89084 hours remaining, 235.394531 MB of memory in use. ENERGY: 4012400 3930.3282 20537.2269 14387.3097 240.5812 -203852.5826 2803.0448 0.0000 0.0000 52117.2877 -109836.8041 299.5188 -161954.0918 -109467.5694 298.9069 30.2864 61.1473 760594.5211 5.7266 5.7750 PRESSURE: 4012600 -203.484 5.15874 225.012 5.15989 146.577 13.1997 225.011 13.1998 222.499 GPRESSURE: 4012600 -135.404 8.51413 129.697 -7.59983 68.9025 31.8815 390.488 143.614 309.798 PRESSAVG: 4012600 -9.46384 -64.1755 63.4829 -64.1755 -26.258 43.1769 63.4828 43.1768 12.8474 GPRESSAVG: 4012600 -9.53531 -62.9895 63.2167 -66.4504 -26.31 42.7587 64.2005 44.9383 13.1842 TIMING: 4012600 CPU: 12681.9, 0.0031564/step Wall: 12681.9, 0.0031564/step, 0.865731 hours remaining, 235.800781 MB of memory in use. ENERGY: 4012600 3934.9836 20432.4059 14421.0723 235.6945 -203842.4641 3007.0483 0.0000 0.0000 51954.4414 -109856.8181 298.5829 -161811.2594 -109495.2539 298.2854 55.1976 81.0988 762707.2603 -7.6248 -7.5537 PRESSURE: 4012800 60.8311 -69.1247 49.3977 -69.124 47.6111 -82.7669 49.3978 -82.7666 -54.497 GPRESSURE: 4012800 83.5064 -104.645 -39.7117 -147.924 82.1595 -67.4709 95.2977 -62.7551 -35.7691 PRESSAVG: 4012800 55.8803 -25.61 35.4864 -25.61 -57.7648 15.3126 35.4865 15.3126 23.3291 GPRESSAVG: 4012800 55.9458 -25.5621 35.0184 -24.457 -57.7644 16.4091 34.5469 15.9932 23.8394 TIMING: 4012800 CPU: 12682.5, 0.00315432/step Wall: 12682.5, 0.00315432/step, 0.864984 hours remaining, 235.800781 MB of memory in use. ENERGY: 4012800 3934.0865 20637.1779 14422.7256 236.6837 -203668.9332 2940.9607 0.0000 0.0000 51807.8553 -109689.4435 297.7405 -161497.2988 -109326.2786 298.7147 17.9817 43.2990 763181.1209 7.1482 7.3402 PRESSURE: 4013000 -35.0479 -184.634 65.3682 -184.635 -417.359 88.2651 65.368 88.2657 38.7355 GPRESSURE: 4013000 -17.864 -90.809 177.857 -207.543 -308.269 96.8172 135.636 102.718 0.752773 PRESSAVG: 4013000 -5.42623 -63.1805 39.9224 -63.1806 -15.0384 -1.46147 39.9223 -1.46143 13.3279 GPRESSAVG: 4013000 -5.16277 -63.7906 40.6349 -61.8591 -15.1195 -2.55099 37.9597 -1.84246 13.5941 TIMING: 4013000 CPU: 12683.2, 0.00317244/step Wall: 12683.2, 0.00317244/step, 0.869779 hours remaining, 235.800781 MB of memory in use. ENERGY: 4013000 3945.1758 20382.9305 14438.4474 251.3670 -203656.0374 3094.6155 0.0000 0.0000 52060.6928 -109482.8084 299.1935 -161543.5012 -109120.8304 298.6582 -137.8906 -108.4600 762440.2970 -2.3789 -2.2294 PRESSURE: 4013200 126.607 38.1571 -91.8294 38.1576 238.197 23.4873 -91.8291 23.4866 -37.0324 GPRESSURE: 4013200 53.6691 -55.9556 -60.7475 46.6191 374.618 5.70766 90.7939 7.03378 -7.39918 PRESSAVG: 4013200 20.2992 -10.2832 33.8726 -10.2832 44.8569 -30.1884 33.8726 -30.1884 8.06039 GPRESSAVG: 4013200 20.3055 -11.9178 34.2791 -9.61069 44.4254 -27.8924 35.8633 -33.0896 7.71905 TIMING: 4013200 CPU: 12683.8, 0.0031673/step Wall: 12683.8, 0.0031673/step, 0.868191 hours remaining, 235.800781 MB of memory in use. ENERGY: 4013200 4031.6929 20524.7992 14464.9964 235.7727 -203271.7914 2611.6861 0.0000 0.0000 51986.4398 -109416.4042 298.7668 -161402.8440 -109060.1525 299.2871 109.2573 140.2961 762318.5834 24.4055 24.1500 PRESSURE: 4013400 73.3979 319.082 79.185 319.082 206.101 158 79.1842 158.001 202.804 GPRESSURE: 4013400 66.1821 341.363 137.224 225.022 315.631 168.234 2.02019 107.365 199.193 PRESSAVG: 4013400 -4.254 -17.2203 43.3092 -17.2204 -17.4516 0.738336 43.3091 0.73838 1.08025 GPRESSAVG: 4013400 -4.18676 -14.7046 42.0413 -18.9366 -17.7667 -1.06499 43.6726 2.52748 0.944342 TIMING: 4013400 CPU: 12684.4, 0.00315265/step Wall: 12684.4, 0.00315265/step, 0.864 hours remaining, 235.800781 MB of memory in use. ENERGY: 4013400 3992.2370 20480.5447 14457.8474 264.3438 -202947.8806 2372.6348 0.0000 0.0000 51971.1471 -109409.1258 298.6789 -161380.2729 -109053.1393 299.3706 160.7679 193.6687 761044.6705 -6.8751 -7.0031 PRESSURE: 4013600 -25.8257 -36.6524 93.2347 -36.6519 -265.663 -1.18942 93.2338 -1.18966 10.3723 GPRESSURE: 4013600 -34.2414 -24.4839 56.7653 -118.601 -177.028 4.94855 88.524 -71.4395 33.0276 PRESSAVG: 4013600 -35.7916 40.9376 9.2439 40.9376 46.2542 -24.613 9.24388 -24.6129 21.048 GPRESSAVG: 4013600 -35.4215 39.2046 10.1569 41.8408 47.1647 -25.2222 10.3286 -24.4586 20.3725 TIMING: 4013600 CPU: 12685.1, 0.00314744/step Wall: 12685.1, 0.00314744/step, 0.862399 hours remaining, 235.800781 MB of memory in use. ENERGY: 4013600 3991.8292 20634.9544 14508.7297 240.8916 -203493.3260 2836.5392 0.0000 0.0000 51928.4406 -109351.9413 298.4335 -161280.3819 -109001.0678 299.6611 -93.7056 -59.4138 762158.7952 10.5036 10.7052 PRESSURE: 4013800 250.968 37.5254 -100.78 37.5247 102.612 -80.6839 -100.78 -80.6834 6.86979 GPRESSURE: 4013800 296.671 76.4758 -139.404 95.5331 154.826 -81.5101 -24.8743 -86.4279 -16.2579 PRESSAVG: 4013800 -2.49378 -25.3824 9.3427 -25.3824 3.83926 15.6338 9.3427 15.6339 2.77178 GPRESSAVG: 4013800 -2.00811 -25.3339 8.3526 -26.0474 3.59778 15.2046 8.88437 15.8381 2.37657 TIMING: 4013800 CPU: 12685.7, 0.00315708/step Wall: 12685.7, 0.00315708/step, 0.864864 hours remaining, 235.800781 MB of memory in use. ENERGY: 4013800 4045.6458 20438.7763 14496.5068 241.6798 -203265.3455 2767.5137 0.0000 0.0000 52092.8569 -109182.3662 299.3784 -161275.2231 -108816.5299 299.2958 120.1500 145.0798 761621.4095 1.3724 1.3221 PRESSURE: 4014000 -116.772 -192.12 20.5044 -192.12 -218.545 128.695 20.5051 128.696 281.973 GPRESSURE: 4014000 -162.493 -190.257 -9.59183 -80.6663 -36.1686 102.585 52.9581 147.701 235.352 PRESSAVG: 4014000 -54.6136 -5.9811 -2.23296 -5.98113 61.2196 -26.186 -2.23285 -26.1861 -5.24314 GPRESSAVG: 4014000 -55.6118 -6.22889 -1.39597 -5.18822 62.0746 -25.2001 -3.92246 -28.1176 -5.18806 TIMING: 4014000 CPU: 12686.3, 0.00318017/step Wall: 12686.3, 0.00318017/step, 0.871012 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: 4014000 3965.8083 20590.8683 14492.2236 274.2192 -203345.1101 2584.7747 0.0000 0.0000 52151.0485 -109286.1674 299.7128 -161437.2160 -108942.3902 299.9191 -17.7811 12.2301 762647.1596 0.4543 0.4249 PRESSURE: 4014200 -92.1639 116.582 43.9996 116.582 -75.5514 31.5222 43.9994 31.5219 348.584 GPRESSURE: 4014200 30.8191 101.419 99.5539 41.1012 -210.557 88.2392 -1.14836 186.906 438.057 PRESSAVG: 4014200 -19.8429 -43.9041 -47.9603 -43.9041 1.1108 -37.2761 -47.9603 -37.2761 2.88199 GPRESSAVG: 4014200 -19.5554 -42.1355 -47.3488 -44.5581 0.211801 -38.1109 -47.727 -35.6985 3.5129 TIMING: 4014200 CPU: 12687, 0.00314204/step Wall: 12687, 0.00314204/step, 0.860395 hours remaining, 235.800781 MB of memory in use. ENERGY: 4014200 3939.4164 20484.2202 14419.0850 249.3404 -203283.6791 2768.2728 0.0000 0.0000 52100.1474 -109323.1969 299.4203 -161423.3443 -108963.3623 299.5160 60.2897 86.1065 764684.0870 -5.2834 -5.2769 PRESSURE: 4014400 548.08 -34.7598 -93.263 -34.7597 145.422 -149.972 -93.2628 -149.973 -24.7545 GPRESSURE: 4014400 526.165 13.3723 -138.732 -23.1948 235.781 -142.353 -65.2443 -237.172 3.53058 PRESSAVG: 4014400 -12.9006 -48.9355 12.1812 -48.9355 -11.1414 2.52092 12.1812 2.52096 0.0765265 GPRESSAVG: 4014400 -13.3098 -49.6977 10.8638 -48.6504 -11.3784 1.77261 14.0491 4.46623 0.838342 TIMING: 4014400 CPU: 12687.6, 0.00315354/step Wall: 12687.6, 0.00315354/step, 0.863368 hours remaining, 235.800781 MB of memory in use. ENERGY: 4014400 4029.9655 20379.3807 14324.6710 239.6286 -203354.3557 2829.8890 0.0000 0.0000 52094.7212 -109456.0998 299.3891 -161550.8210 -109095.5067 299.0955 222.9159 255.1588 763392.1514 -7.9885 -7.9499 PRESSURE: 4014600 257.667 -54.5975 82.6663 -54.5978 -91.8961 -163.429 82.6669 -163.428 234.313 GPRESSURE: 4014600 304.049 -34.4798 90.3191 -86.5699 -14.9214 -139.245 87.1535 -142.022 207.139 PRESSAVG: 4014600 18.0298 7.12488 22.5604 7.1249 -40.7292 -42.8867 22.5604 -42.8867 9.67426 GPRESSAVG: 4014600 18.5291 6.73347 22.5507 9.28465 -39.9343 -41.7954 22.0272 -44.7976 8.65599 TIMING: 4014600 CPU: 12688.2, 0.00317054/step Wall: 12688.2, 0.00317054/step, 0.867846 hours remaining, 235.800781 MB of memory in use. ENERGY: 4014600 3910.8613 20294.4017 14453.7019 267.5256 -203461.8015 2864.5641 0.0000 0.0000 52280.8702 -109389.8767 300.4589 -161670.7469 -109023.4922 299.2754 133.3613 165.4219 762647.7813 -4.3417 -4.2498 PRESSURE: 4014800 -197.379 -245.758 177.723 -245.758 -48.4382 -25.7143 177.723 -25.7149 -316.764 GPRESSURE: 4014800 -153.614 -225.822 144.682 -260.62 -73.144 -121.082 202.914 85.2385 -258.256 PRESSAVG: 4014800 -8.59891 -11.5433 36.0296 -11.5433 -8.34165 -64.3181 36.0296 -64.3182 0.616074 GPRESSAVG: 4014800 -8.94089 -13.4407 35.9349 -12.3642 -7.79876 -63.8976 35.484 -63.9195 0.473922 TIMING: 4014800 CPU: 12688.9, 0.00319432/step Wall: 12688.9, 0.00319432/step, 0.874179 hours remaining, 235.800781 MB of memory in use. ENERGY: 4014800 3974.2313 20469.5636 14426.0927 248.0507 -202879.9367 2494.2842 0.0000 0.0000 52087.2917 -109180.4225 299.3464 -161267.7142 -108818.4779 299.4082 -187.5273 -161.6713 764343.3651 -5.4415 -5.4219 PRESSURE: 4015000 23.9726 86.563 -51.8178 86.5628 -144.359 96.1212 -51.8187 96.1222 151.512 GPRESSURE: 4015000 118.567 200.797 10.6411 -2.07029 -190.567 93.8125 -154.098 94.0074 176.443 PRESSAVG: 4015000 9.86842 11.7713 -35.8373 11.7713 -16.9638 -0.423637 -35.8372 -0.42362 30.2703 GPRESSAVG: 4015000 11.3796 13.4737 -35.0811 10.1346 -18.9674 -1.14314 -36.5481 1.73987 30.6742 TIMING: 4015000 CPU: 12689.5, 0.00318749/step Wall: 12689.5, 0.00318749/step, 0.872133 hours remaining, 235.800781 MB of memory in use. ENERGY: 4015000 3932.2146 20553.6235 14372.8477 233.5128 -203337.6747 2781.9358 0.0000 0.0000 52283.6890 -109179.8513 300.4751 -161463.5404 -108818.5103 299.9682 10.3750 34.8146 762344.4102 7.7250 7.6955 PRESSURE: 4015200 -132.171 -173.562 220.462 -173.562 188.592 124.274 220.462 124.274 197.692 GPRESSURE: 4015200 -167.31 -77.1595 171.947 -124.673 247.82 132.612 254.283 -35.8464 235.104 PRESSAVG: 4015200 -14.7083 -20.7877 20.5751 -20.7876 12.5749 49.3265 20.575 49.3265 19.806 GPRESSAVG: 4015200 -15.8872 -19.6476 19.3909 -20.4226 13.4844 49.874 21.9798 46.3605 20.0445 TIMING: 4015200 CPU: 12690.1, 0.00317537/step Wall: 12690.1, 0.00317537/step, 0.868639 hours remaining, 235.800781 MB of memory in use. ENERGY: 4015200 3957.9443 20641.6312 14412.8553 242.4021 -203320.9635 2704.2754 0.0000 0.0000 52092.6019 -109269.2533 299.3769 -161361.8552 -108915.4248 299.5067 84.7044 105.2048 761008.1916 5.8908 5.8805 PRESSURE: 4015400 -96.3642 -80.3344 104.964 -80.3346 -273.142 -51.4571 104.965 -51.4568 -150.515 GPRESSURE: 4015400 45.4474 -102.791 125.123 -17.5505 -241.888 -144.514 145.158 -25.9764 -240.886 PRESSAVG: 4015400 -45.9938 -29.574 43.0562 -29.574 45.9297 3.63323 43.0561 3.63326 16.7737 GPRESSAVG: 4015400 -45.0337 -31.6485 45.8392 -26.563 46.8502 3.23369 42.6875 2.56103 15.4742 TIMING: 4015400 CPU: 12690.8, 0.00316682/step Wall: 12690.8, 0.00316682/step, 0.866125 hours remaining, 235.800781 MB of memory in use. ENERGY: 4015400 3950.0642 20705.1547 14443.7321 243.4385 -203173.9817 2475.2405 0.0000 0.0000 52196.8564 -109159.4952 299.9761 -161356.3517 -108805.5677 299.8412 -173.3403 -145.7755 762620.8998 5.5699 5.7636 PRESSURE: 4015600 68.6595 73.0573 -76.6372 73.0586 171.969 10.5512 -76.6375 10.5512 348.874 GPRESSURE: 4015600 136.855 46.5306 -88.675 94.3491 180.34 -24.8335 -131.768 55.8983 363.748 PRESSAVG: 4015600 -31.1215 16.393 19.664 16.3931 -6.58401 -9.33215 19.664 -9.33206 -6.82919 GPRESSAVG: 4015600 -31.5715 18.048 17.919 12.9435 -6.19695 -8.75028 18.7357 -7.26066 -6.02905 TIMING: 4015600 CPU: 12691.4, 0.0031754/step Wall: 12691.4, 0.0031754/step, 0.868296 hours remaining, 235.800781 MB of memory in use. ENERGY: 4015600 3933.4206 20544.3157 14471.4157 246.1691 -203288.5416 2724.7180 0.0000 0.0000 52071.5779 -109296.9246 299.2561 -161368.5026 -108925.3933 299.9895 196.5007 226.9810 762676.3028 -14.8449 -14.5992 PRESSURE: 4015800 -118.728 -111.932 127.106 -111.933 85.8505 39.6122 127.106 39.6123 -17.8357 GPRESSURE: 4015800 -97.4368 -179.087 48.0502 -187.276 136.802 2.41888 150.015 -25.9796 -6.67777 PRESSAVG: 4015800 49.4635 -90.6463 38.1221 -90.6463 -26.5426 6.78286 38.1221 6.78283 15.5096 GPRESSAVG: 4015800 49.3788 -91.6263 38.4131 -90.2282 -27.4634 6.457 42.2586 7.70552 15.7776 TIMING: 4015800 CPU: 12692, 0.00319321/step Wall: 12692, 0.00319321/step, 0.872988 hours remaining, 235.800781 MB of memory in use. ENERGY: 4015800 3987.2853 20576.7241 14449.3716 241.5735 -203334.2587 2647.5640 0.0000 0.0000 52070.5497 -109361.1904 299.2502 -161431.7401 -108992.8609 299.6725 -16.9044 10.8959 760820.8439 12.8102 12.5643 PRESSURE: 4016000 21.6362 -141.771 143.317 -141.771 51.3889 502.901 143.318 502.9 -75.4927 GPRESSURE: 4016000 27.9823 -47.7585 190.613 -204.639 169.37 391.275 87.6692 517.062 -134.794 PRESSAVG: 4016000 -30.2943 -59.0445 20.203 -59.0444 32.0144 50.476 20.203 50.4759 -3.6165 GPRESSAVG: 4016000 -30.6136 -59.054 21.6237 -59.4537 33.1245 49.4693 15.3147 51.0925 -4.84226 TIMING: 4016000 CPU: 12692.7, 0.00318181/step Wall: 12692.7, 0.00318181/step, 0.869695 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: 4016000 3945.7471 20606.9096 14420.2708 254.7542 -203147.6249 2659.0752 0.0000 0.0000 52203.8815 -109056.9865 300.0164 -161260.8680 -108692.9145 299.9113 -0.8226 20.8528 762124.1001 -0.6321 -0.7771 PRESSURE: 4016200 -237.135 -44.3086 129.775 -44.3095 -172.609 -120.843 129.774 -120.843 26.7505 GPRESSURE: 4016200 -217.91 2.48379 174 65.8828 -165.062 -113.045 78.5694 -91.7838 59.0771 PRESSAVG: 4016200 -54.5404 -75.1051 -34.6364 -75.1051 54.2875 16.7304 -34.6364 16.7304 -6.79449 GPRESSAVG: 4016200 -53.9905 -76.429 -34.8344 -72.631 52.8996 18.6695 -35.2331 14.1132 -5.20776 TIMING: 4016200 CPU: 12693.3, 0.00316845/step Wall: 12693.3, 0.00316845/step, 0.865866 hours remaining, 235.800781 MB of memory in use. ENERGY: 4016200 3980.6742 20698.6056 14370.2402 248.4487 -203226.9910 2385.4882 0.0000 0.0000 52267.9286 -109275.6055 300.3845 -161543.5341 -108921.9850 300.1062 -127.6643 -107.9648 762667.7127 -2.3491 -2.0996 LDB: ============= START OF LOAD BALANCING ============== 12705.8 LDB: ============== END OF LOAD BALANCING =============== 12705.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12705.8 LDB: ============= START OF LOAD BALANCING ============== 12706.2 LDB: Largest compute 7030 load 0.031332 is 16.0% of average load 0.195532 LDB: Average compute 0.004362 is 2.2% of average load 0.195532 LDB: TIME 12706.2 LOAD: AVG 0.195532 MAX 0.215879 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 12706.2 LOAD: AVG 0.195532 MAX 0.215879 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 12706.2 LOAD: AVG 0.195532 MAX 0.215879 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 12706.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12706.2 PRESSURE: 4016400 -24.2378 -157.791 26.4754 -157.792 -56.7923 58.7612 26.4751 58.763 -2.93942 GPRESSURE: 4016400 5.2024 -176.279 70.0596 -235.611 46.1578 11.6107 23.9871 32.7659 -30.3871 PRESSAVG: 4016400 -70.0852 -35.6771 -16.2595 -35.6772 14.3067 -20.335 -16.2596 -20.3349 14.9716 GPRESSAVG: 4016400 -70.2175 -35.1472 -17.1623 -35.9096 16.1787 -21.4831 -14.3301 -19.6317 13.7796 TIMING: 4016400 CPU: 12694, 0.00326003/step Wall: 12694, 0.00326003/step, 0.890712 hours remaining, 237.503906 MB of memory in use. ENERGY: 4016400 3999.0541 20470.7089 14403.3819 221.3077 -203357.3144 2592.5062 0.0000 0.0000 52285.3741 -109384.9813 300.4848 -161670.3554 -109017.7812 299.5915 -27.9898 6.9910 762678.7279 -13.6023 -13.4197 PRESSURE: 4016600 194.959 -89.9745 48.5466 -89.9745 -29.1672 231.032 48.5468 231.033 236.354 GPRESSURE: 4016600 283.722 -33.6533 8.14808 -99.9118 24.9235 272.691 93.2679 142.949 196.224 PRESSAVG: 4016600 -29.8541 3.12943 16.5114 3.12942 36.1172 -10.0753 16.5113 -10.0752 5.74484 GPRESSAVG: 4016600 -30.3431 3.22816 15.927 2.85271 35.3851 -8.05636 19.2624 -11.4124 6.72573 TIMING: 4016600 CPU: 12694.6, 0.00316628/step Wall: 12694.6, 0.00316628/step, 0.864922 hours remaining, 237.867188 MB of memory in use. ENERGY: 4016600 3995.2900 20489.1891 14387.8148 247.9366 -203722.7750 2890.9578 0.0000 0.0000 52291.6738 -109419.9129 300.5210 -161711.5867 -109052.9402 299.3445 134.0486 168.2898 762890.9719 4.0026 3.9226 PRESSURE: 4016800 -93.6954 -56.4203 -127.568 -56.4204 -173.165 -199.885 -127.568 -199.885 -381.629 GPRESSURE: 4016800 -72.6556 -29.1629 -152.327 2.2403 -134.699 -203.424 -135.252 -188.67 -347.505 PRESSAVG: 4016800 22.1442 -46.6794 -3.67041 -46.6793 -9.01135 -14.3628 -3.67041 -14.3629 -2.77632 GPRESSAVG: 4016800 22.6756 -46.1636 -1.63076 -48.8806 -8.64864 -15.2062 -6.53446 -12.6121 -3.31829 TIMING: 4016800 CPU: 12695.2, 0.00316382/step Wall: 12695.2, 0.00316382/step, 0.864075 hours remaining, 237.867188 MB of memory in use. ENERGY: 4016800 4036.0896 20544.4337 14422.4452 247.3054 -203303.4983 2574.4305 0.0000 0.0000 52188.3486 -109290.4452 299.9272 -161478.7938 -108927.7596 299.8726 -216.1629 -184.9531 762161.3730 3.4522 3.5695 PRESSURE: 4017000 115.006 123.006 -160.196 123.006 109.624 -223.867 -160.196 -223.866 309.223 GPRESSURE: 4017000 146.026 70.5219 -129.993 130.149 122.355 -228.434 -75.6687 -194.421 353.533 PRESSAVG: 4017000 -59.6685 -24.3 13.9561 -24.3 92.3769 3.07895 13.9561 3.07896 19.2709 GPRESSAVG: 4017000 -60.2929 -24.6265 13.6345 -23.4926 92.8911 1.22395 12.5375 2.47554 18.8548 TIMING: 4017000 CPU: 12695.9, 0.00316391/step Wall: 12695.9, 0.00316391/step, 0.863922 hours remaining, 237.867188 MB of memory in use. ENERGY: 4017000 4066.6587 20533.7337 14366.4743 246.0461 -203145.4542 2694.7855 0.0000 0.0000 51774.3185 -109463.4374 297.5477 -161237.7559 -109114.5129 299.8494 177.9508 207.3044 762134.7226 17.3264 17.1510 PRESSURE: 4017200 59.9262 -157.663 137.448 -157.664 80.3028 144.892 137.448 144.891 -7.30817 GPRESSURE: 4017200 109.06 -69.1511 47.821 -29.3407 102.737 131.205 250.091 97.1584 7.80894 PRESSAVG: 4017200 12.0861 -28.7418 34.8767 -28.7418 -35.1676 -29.9855 34.8767 -29.9857 2.24119 GPRESSAVG: 4017200 12.2492 -26.6878 33.5272 -28.647 -36.142 -28.1151 37.7555 -29.5673 3.22163 TIMING: 4017200 CPU: 12696.5, 0.0031693/step Wall: 12696.5, 0.0031693/step, 0.86522 hours remaining, 237.867188 MB of memory in use. ENERGY: 4017200 4046.2626 20469.5360 14385.9446 232.2178 -203358.5024 2669.1701 0.0000 0.0000 51884.0023 -109671.3691 298.1781 -161555.3714 -109315.6730 298.7522 44.3069 73.2019 761450.3094 -6.9468 -6.8904 PRESSURE: 4017400 99.5013 54.8739 270.836 54.8741 -219.287 9.47858 270.836 9.47842 -268.234 GPRESSURE: 4017400 94.6248 74.8272 112.345 -19.4105 -144.591 -77.555 224.787 41.247 -255.175 PRESSAVG: 4017400 -18.5029 16.8016 -3.23206 16.8015 30.5616 -35.1861 -3.23205 -35.1862 11.8246 GPRESSAVG: 4017400 -17.2688 12.4511 -2.91431 18.6902 30.4477 -35.4835 -5.39672 -37.5595 10.4887 TIMING: 4017400 CPU: 12697.1, 0.00317154/step Wall: 12697.1, 0.00317154/step, 0.865653 hours remaining, 238.070312 MB of memory in use. ENERGY: 4017400 3947.4677 20423.0698 14434.3930 238.7752 -203381.4029 2532.9536 0.0000 0.0000 52043.7039 -109761.0399 299.0959 -161804.7437 -109402.9518 298.4049 -129.3398 -101.7138 760803.9132 7.9611 7.8892 PRESSURE: 4017600 137.242 -31.2966 59.5314 -31.2953 -76.0387 -56.0389 59.5315 -56.0378 -101.153 GPRESSURE: 4017600 129.838 -92.5747 118.899 -11.9423 -83.3366 -129.307 -13.2613 -25.8751 -10.3086 PRESSAVG: 4017600 -34.1773 -39.5459 50.8881 -39.5458 9.56698 10.2381 50.8881 10.2381 -11.3141 GPRESSAVG: 4017600 -35.4646 -37.919 52.2358 -42.2857 8.96719 9.4453 51.9192 14.2553 -9.91364 TIMING: 4017600 CPU: 12697.8, 0.0031705/step Wall: 12697.8, 0.0031705/step, 0.865194 hours remaining, 238.070312 MB of memory in use. ENERGY: 4017600 3970.5609 20510.5087 14539.5956 232.5673 -203309.8140 2648.7314 0.0000 0.0000 51819.8201 -109588.0300 297.8092 -161407.8500 -109227.5971 298.6211 -13.3167 12.0641 761476.0610 -11.9748 -12.1370 PRESSURE: 4017800 130.964 -134.162 96.218 -134.163 60.2636 25.2622 96.2187 25.2608 158.033 GPRESSURE: 4017800 242.901 -127.763 53.0673 6.3646 47.393 11.5623 -35.4066 75.6737 135.455 PRESSAVG: 4017800 6.48797 -14.6453 39.0052 -14.6453 -17.8689 -44.2417 39.0052 -44.2417 -15.5083 GPRESSAVG: 4017800 7.62534 -12.8924 38.7969 -14.0677 -17.9476 -42.6557 37.1935 -46.8609 -17.11 TIMING: 4017800 CPU: 12698.4, 0.00316963/step Wall: 12698.4, 0.00316963/step, 0.864781 hours remaining, 238.070312 MB of memory in use. ENERGY: 4017800 4012.6046 20410.8299 14461.8493 252.8581 -203656.8955 2696.7541 0.0000 0.0000 52200.8190 -109621.1805 299.9988 -161821.9995 -109265.4179 298.4658 116.4205 141.9161 759000.4115 -8.9631 -9.1441 PRESSURE: 4018000 -88.0979 -87.0142 -287.538 -87.0132 105.879 -2.83843 -287.537 -2.83871 -136.093 GPRESSURE: 4018000 -127.599 -20.3837 -338.939 -118.999 174.337 -74.3259 -279.197 -47.5513 -81.5592 PRESSAVG: 4018000 -5.48405 -26.7827 29.1174 -26.7827 -21.8483 -6.33648 29.1173 -6.33647 53.5656 GPRESSAVG: 4018000 -7.48279 -26.4242 27.5889 -27.2894 -20.4152 -7.73429 31.4661 -6.82594 54.4527 TIMING: 4018000 CPU: 12699, 0.00316212/step Wall: 12699, 0.00316212/step, 0.862556 hours remaining, 238.070312 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: 4018000 3985.7732 20517.5320 14461.8298 235.2631 -203373.3252 2633.7915 0.0000 0.0000 51924.4351 -109614.7006 298.4104 -161539.1356 -109248.8964 298.6441 -39.4372 -11.6072 761456.9683 8.7444 8.8516 PRESSURE: 4018200 83.8879 -67.5992 -191.457 -67.599 42.8401 92.5773 -191.457 92.5758 -403.297 GPRESSURE: 4018200 191.946 -29.6609 -144.915 -137.065 -36.5027 102.133 -34.3554 -38.8424 -358.207 PRESSAVG: 4018200 18.5669 -7.10268 8.28695 -7.10271 -64.5689 38.2375 8.28695 38.2375 -8.88351 GPRESSAVG: 4018200 20.5648 -8.64978 8.19679 -5.96456 -66.2317 38.0664 9.25897 37.8654 -8.60315 TIMING: 4018200 CPU: 12699.7, 0.00317012/step Wall: 12699.7, 0.00317012/step, 0.864561 hours remaining, 238.070312 MB of memory in use. ENERGY: 4018200 3934.2956 20553.1424 14376.3883 235.7053 -203343.4727 2624.0159 0.0000 0.0000 51859.8993 -109760.0259 298.0396 -161619.9252 -109390.9151 298.6535 -92.1897 -67.5880 762730.1598 -18.2951 -18.0900 PRESSURE: 4018400 -55.0932 -145.677 -42.7803 -145.677 -31.9031 -175.564 -42.7805 -175.564 92.304 GPRESSURE: 4018400 -79.2954 -91.4192 -140.17 -146.567 -23.0424 -81.41 -129.245 -48.6934 172.062 PRESSAVG: 4018400 -8.19093 -9.35633 -17.3636 -9.35635 12.9071 37.0464 -17.3636 37.0465 29.6668 GPRESSAVG: 4018400 -9.20192 -7.86152 -17.108 -9.01671 13.875 38.9027 -19.0556 38.3043 29.0032 TIMING: 4018400 CPU: 12700.3, 0.00321151/step Wall: 12700.3, 0.00321151/step, 0.875672 hours remaining, 238.308594 MB of memory in use. ENERGY: 4018400 3893.6679 20441.0465 14446.2572 244.9414 -203534.3882 2550.7621 0.0000 0.0000 52355.9176 -109601.7956 300.8902 -161957.7132 -109230.6091 298.7252 1.7692 23.2415 762706.9861 11.4610 11.2254 PRESSURE: 4018600 45.6058 74.5229 -87.4737 74.523 -68.6404 -17.329 -87.4744 -17.3294 -134.993 GPRESSURE: 4018600 30.7199 38.4067 -103.207 9.98539 -62.3063 -50.6188 -97.5351 -135.324 -52.6165 PRESSAVG: 4018600 -10.6472 -61.3999 -23.3741 -61.3999 9.82157 -51.9796 -23.3741 -51.9796 28.9685 GPRESSAVG: 4018600 -11.7703 -61.7949 -23.6578 -61.5097 10.0412 -54.2276 -22.8654 -52.6785 30.1348 TIMING: 4018600 CPU: 12700.9, 0.00321381/step Wall: 12700.9, 0.00321381/step, 0.876121 hours remaining, 238.308594 MB of memory in use. ENERGY: 4018600 3930.9983 20656.0456 14422.6332 267.1141 -203347.2829 2623.0049 0.0000 0.0000 52018.6402 -109428.8465 298.9518 -161447.4867 -109066.5071 299.3468 -52.6758 -28.0676 763509.8861 9.3810 9.4686 PRESSURE: 4018800 30.0673 2.94614 214.478 2.94619 16.6612 -53.638 214.478 -53.6368 274.506 GPRESSURE: 4018800 128.013 6.73794 176.971 36.6192 -17.4957 -44.5404 131.676 -68.4059 298.681 PRESSAVG: 4018800 19.9473 -9.37005 11.532 -9.3701 -40.4131 -15.1395 11.532 -15.1394 -22.3071 GPRESSAVG: 4018800 21.7046 -11.2874 13.0059 -9.55551 -41.8525 -14.0235 8.74503 -15.4229 -22.5784 TIMING: 4018800 CPU: 12701.6, 0.00321345/step Wall: 12701.6, 0.00321345/step, 0.875845 hours remaining, 238.308594 MB of memory in use. ENERGY: 4018800 3973.1562 20534.1492 14462.2667 249.3265 -203354.2947 2737.5084 0.0000 0.0000 52132.1204 -109265.7674 299.6040 -161397.8877 -108907.8508 299.6124 107.0781 136.3995 763966.1616 -14.2576 -14.2421 PRESSURE: 4019000 -117.707 -4.66993 -111.187 -4.66901 14.6239 -118.495 -111.186 -118.496 191.092 GPRESSURE: 4019000 -88.5231 9.69349 -16.3885 46.9371 110.525 -88.8857 -41.1542 -50.0548 151.224 PRESSAVG: 4019000 -10.1835 47.3787 82.3712 47.3787 10.8119 -20.5877 82.3712 -20.5877 -4.49042 GPRESSAVG: 4019000 -10.3033 48.9212 82.432 46.7224 11.0336 -20.0891 85.2266 -21.443 -4.7778 TIMING: 4019000 CPU: 12702.2, 0.00318464/step Wall: 12702.2, 0.00318464/step, 0.867815 hours remaining, 238.308594 MB of memory in use. ENERGY: 4019000 4005.0204 20529.2283 14441.3971 242.5841 -202736.2542 2332.3383 0.0000 0.0000 51860.1049 -109325.5811 298.0407 -161185.6860 -108962.1606 299.5617 29.3361 57.7419 763775.8980 -1.2873 -1.3492 PRESSURE: 4019200 24.4094 -239.578 64.4519 -239.578 18.154 39.7196 64.4515 39.7189 -174.112 GPRESSURE: 4019200 83.7004 -141.782 63.2199 -127.428 3.45619 -61.2992 71.9677 5.39642 -155.603 PRESSAVG: 4019200 47.2256 -42.419 17.7206 -42.419 -12.0051 -27.2271 17.7206 -27.2271 32.6269 GPRESSAVG: 4019200 46.7769 -41.6793 19.9481 -42.5556 -11.5561 -27.2818 16.4239 -26.2912 32.7138 TIMING: 4019200 CPU: 12702.9, 0.00316528/step Wall: 12702.9, 0.00316528/step, 0.862363 hours remaining, 238.308594 MB of memory in use. ENERGY: 4019200 3979.5191 20530.3765 14490.2432 277.4758 -203401.6518 2580.1830 0.0000 0.0000 52066.5987 -109477.2557 299.2275 -161543.8544 -109120.4103 299.5330 -43.8494 -22.8153 761766.7747 22.6158 22.6449 PRESSURE: 4019400 -16.6204 139.747 -1.88039 139.747 -165.506 -80.3497 -1.87923 -80.35 -211.372 GPRESSURE: 4019400 0.676515 152.303 19.1539 37.4571 -128.349 -114.919 -120.285 -27.8686 -194.647 PRESSAVG: 4019400 -8.78161 -27.9774 28.4047 -27.9774 -13.2789 -24.8228 28.4048 -24.8228 -17.3476 GPRESSAVG: 4019400 -9.32821 -29.9038 25.1929 -27.4475 -12.8091 -23.9797 29.8533 -25.2901 -17.7346 TIMING: 4019400 CPU: 12703.5, 0.00319115/step Wall: 12703.5, 0.00319115/step, 0.869233 hours remaining, 238.308594 MB of memory in use. ENERGY: 4019400 3907.1841 20480.1341 14445.6828 243.9767 -203093.3665 2446.1550 0.0000 0.0000 51898.0390 -109672.1947 298.2587 -161570.2338 -109306.2548 298.6249 -131.1661 -107.4398 763025.3487 -13.1360 -13.2906 PRESSURE: 4019600 -265.742 -4.56491 55.8741 -4.56494 159.95 52.6765 55.8742 52.677 -58.3847 GPRESSURE: 4019600 -140.764 -66.9478 -47.6848 56.3141 116.426 57.1082 50.319 12.9343 -65.9076 PRESSAVG: 4019600 -24.5635 -40.648 75.5984 -40.648 45.8349 -19.5979 75.5984 -19.5978 12.6063 GPRESSAVG: 4019600 -24.7876 -41.9108 74.5371 -40.6346 45.9902 -20.463 74.9795 -20.1732 12.6411 TIMING: 4019600 CPU: 12704.1, 0.00322594/step Wall: 12704.1, 0.00322594/step, 0.878532 hours remaining, 238.308594 MB of memory in use. ENERGY: 4019600 3973.2038 20645.8154 14420.5017 238.7751 -203885.2901 2839.6713 0.0000 0.0000 51912.3184 -109855.0043 298.3408 -161767.3227 -109493.6362 298.9288 -54.7256 -30.0818 762064.0164 11.2925 11.2812 PRESSURE: 4019800 -118.47 10.745 -233.134 10.7444 -168.492 47.1446 -233.135 47.1446 140.924 GPRESSURE: 4019800 22.2791 157.664 -174.602 79.7162 -210.886 72.7025 -313.416 64.8349 144.047 PRESSAVG: 4019800 50.961 -27.6198 -6.78225 -27.6198 -29.9334 -21.5695 -6.78222 -21.5695 0.890038 GPRESSAVG: 4019800 51.7476 -24.8887 -5.02428 -26.7288 -31.2959 -20.6402 -8.4677 -18.8198 1.53575 TIMING: 4019800 CPU: 12704.8, 0.00316712/step Wall: 12704.8, 0.00316712/step, 0.862336 hours remaining, 238.308594 MB of memory in use. ENERGY: 4019800 3957.5367 20537.4931 14394.6364 247.6261 -203084.6485 2336.4354 0.0000 0.0000 52029.1683 -109581.7524 299.0123 -161610.9208 -109226.6788 298.4474 -48.6793 -14.8536 761756.9116 7.3059 7.3291 PRESSURE: 4020000 283.28 -41.738 48.2933 -41.7373 219.765 129.257 48.2933 129.257 18.4462 GPRESSURE: 4020000 313.215 -125.13 9.38437 -88.936 206.146 82.8341 -55.0064 -9.82462 101.214 PRESSAVG: 4020000 16.2559 61.2506 13.87 61.2506 -64.2497 0.927387 13.87 0.927346 -16.6008 GPRESSAVG: 4020000 16.3369 61.718 13.1533 60.4307 -63.0526 0.658735 14.1346 -0.102697 -17.2395 TIMING: 4020000 CPU: 12705.4, 0.00319359/step Wall: 12705.4, 0.00319359/step, 0.869367 hours remaining, 238.308594 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: 4020000 4003.6496 20452.2193 14425.5883 250.0588 -203805.6675 2998.1350 0.0000 0.0000 52108.0548 -109567.9616 299.4657 -161676.0164 -109201.2506 298.7733 173.8304 206.8582 763432.0116 -21.5315 -21.3184 PRESSURE: 4020200 -252.78 -0.388388 -48.0979 -0.38819 203.092 206.608 -48.0975 206.609 -221.57 GPRESSURE: 4020200 -272.91 -47.296 4.73791 -88.3199 294.543 169.182 25.7866 150.195 -197.666 PRESSAVG: 4020200 -5.90041 -11.0073 32.5738 -11.0074 -27.1883 23.9963 32.5739 23.9963 2.57508 GPRESSAVG: 4020200 -6.19418 -10.6878 31.7497 -11.8506 -26.8513 22.9602 33.7844 22.646 2.7489 TIMING: 4020200 CPU: 12706, 0.00316302/step Wall: 12706, 0.00316302/step, 0.860869 hours remaining, 238.308594 MB of memory in use. ENERGY: 4020200 4020.0018 20562.8198 14413.6992 264.9153 -203384.1928 2409.3296 0.0000 0.0000 51987.8769 -109725.5502 298.7750 -161713.4271 -109367.4182 298.8078 -90.4195 -58.6775 762399.5516 -10.1712 -10.0989 LDB: ============= START OF LOAD BALANCING ============== 12718.6 LDB: ============== END OF LOAD BALANCING =============== 12718.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12718.6 LDB: ============= START OF LOAD BALANCING ============== 12718.9 LDB: Largest compute 7031 load 0.032383 is 16.6% of average load 0.195661 LDB: Average compute 0.004374 is 2.2% of average load 0.195661 LDB: TIME 12718.9 LOAD: AVG 0.195661 MAX 0.213739 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.762 MB LDB: TIME 12718.9 LOAD: AVG 0.195661 MAX 0.213739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: TIME 12718.9 LOAD: AVG 0.195661 MAX 0.213739 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: ============== END OF LOAD BALANCING =============== 12718.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12718.9 PRESSURE: 4020400 -51.127 -20.1823 64.8658 -20.1826 -176.843 -98.4442 64.8648 -98.4448 -41.6449 GPRESSURE: 4020400 -13.3035 35.1566 86.798 -69.0439 -197.232 -63.974 96.0741 -35.0406 15.0149 PRESSAVG: 4020400 -2.40164 -4.27043 25.4477 -4.27042 4.83071 7.03823 25.4476 7.03823 4.89465 GPRESSAVG: 4020400 -3.50401 -4.78694 27.3788 -3.77789 5.7613 6.7823 24.2514 9.66981 4.30042 TIMING: 4020400 CPU: 12706.7, 0.00321609/step Wall: 12706.7, 0.00321609/step, 0.875133 hours remaining, 234.929688 MB of memory in use. ENERGY: 4020400 3966.3660 20479.0244 14437.7939 253.3144 -203360.5626 2634.0610 0.0000 0.0000 51690.9654 -109899.0376 297.0687 -161590.0030 -109542.1210 298.1996 -89.8715 -65.1734 763760.6125 2.4412 2.1859 PRESSURE: 4020600 -43.874 -70.01 69.9937 -70.0088 -180.121 4.29821 69.9935 4.29881 461.072 GPRESSURE: 4020600 79.9746 -14.2861 99.382 -22.5185 -147.728 -42.2067 -71.1539 -40.2383 411.405 PRESSAVG: 4020600 24.3779 -32.2409 16.885 -32.2409 11.5424 27.9146 16.885 27.9147 20.2536 GPRESSAVG: 4020600 26.5207 -33.2653 16.3534 -33.3981 9.199 28.9879 17.071 26.8531 20.7819 TIMING: 4020600 CPU: 12707.3, 0.00317419/step Wall: 12707.3, 0.00317419/step, 0.863556 hours remaining, 235.000000 MB of memory in use. ENERGY: 4020600 4034.4961 20484.1861 14409.8721 233.7926 -203649.4907 2491.9602 0.0000 0.0000 52029.7223 -109965.4614 299.0155 -161995.1836 -109606.0475 298.2790 79.0254 114.5505 760932.0504 18.7246 18.8339 PRESSURE: 4020800 -151.288 -0.15009 -150.179 -0.150777 -115.307 53.8072 -150.179 53.8084 -175.754 GPRESSURE: 4020800 -25.8922 29.688 -158.754 -81.4721 -158.183 41.3018 -56.7021 -128.06 -172.36 PRESSAVG: 4020800 103.876 -30.5986 11.2021 -30.5987 -110.025 -21.8001 11.2022 -21.8 17.5841 GPRESSAVG: 4020800 104.096 -30.106 9.08076 -30.3294 -108.158 -23.198 11.6585 -23.5897 16.1714 TIMING: 4020800 CPU: 12708, 0.00317709/step Wall: 12708, 0.00317709/step, 0.864169 hours remaining, 235.066406 MB of memory in use. ENERGY: 4020800 3966.5381 20463.9989 14409.5786 255.7168 -203136.3094 2220.4121 0.0000 0.0000 52022.7390 -109797.3259 298.9754 -161820.0649 -109423.7807 298.2062 -147.4498 -118.8116 762550.8776 3.8119 4.0362 PRESSURE: 4021000 -134.762 -161.885 175.014 -161.886 -123.583 -177.362 175.014 -177.361 45.4019 GPRESSURE: 4021000 -128.767 -101.944 90.2451 -212.467 -70.8168 -201.832 147.087 -234.015 60.6222 PRESSAVG: 4021000 -20.3101 -55.6851 16.8494 -55.6851 -10.9638 49.4023 16.8493 49.4024 15.9515 GPRESSAVG: 4021000 -20.4851 -57.2615 17.8376 -54.0664 -11.5853 49.2802 15.6 49.5141 16.8324 TIMING: 4021000 CPU: 12708.6, 0.00320464/step Wall: 12708.6, 0.00320464/step, 0.871484 hours remaining, 235.066406 MB of memory in use. ENERGY: 4021000 4064.1104 20486.1267 14487.4319 232.0263 -203538.7619 2701.5856 0.0000 0.0000 51971.5596 -109595.9214 298.6813 -161567.4811 -109231.6457 298.4384 -70.9810 -46.3204 761836.8862 -5.1075 -5.0793 PRESSURE: 4021200 -148.622 -88.382 -43.2874 -88.3817 170.449 -94.1558 -43.2875 -94.1554 59.5068 GPRESSURE: 4021200 -80.7169 -67.1907 -91.9234 -49.8004 166.848 -43.02 119.682 -68.421 64.5749 PRESSAVG: 4021200 -74.8135 -96.1929 14.2163 -96.1929 66.9804 29.76 14.2163 29.7599 -0.509386 GPRESSAVG: 4021200 -75.1245 -95.4242 14.5895 -97.109 66.7658 30.1628 14.8393 29.7896 0.312613 TIMING: 4021200 CPU: 12709.2, 0.00317852/step Wall: 12709.2, 0.00317852/step, 0.864205 hours remaining, 235.066406 MB of memory in use. ENERGY: 4021200 3927.4494 20461.8329 14474.4307 255.5273 -202997.7589 2381.7042 0.0000 0.0000 51844.3452 -109652.4692 297.9502 -161496.8143 -109286.4736 298.3579 27.1111 50.2353 761412.3315 -2.7808 -2.6820 PRESSURE: 4021400 67.5031 6.93849 -114.197 6.93821 109.077 -40.4432 -114.198 -40.4426 -188.987 GPRESSURE: 4021400 95.5537 38.1133 -81.3008 116.073 143.321 2.69126 -158.817 42.1467 -173.204 PRESSAVG: 4021400 -12.4364 -31.8951 21.7415 -31.8952 26.5657 -12.5108 21.7415 -12.5107 -18.4324 GPRESSAVG: 4021400 -13.2044 -31.627 21.8133 -31.6653 26.3212 -12.9548 23.9593 -10.2552 -17.351 TIMING: 4021400 CPU: 12709.9, 0.00314449/step Wall: 12709.9, 0.00314449/step, 0.854777 hours remaining, 235.066406 MB of memory in use. ENERGY: 4021400 3973.9350 20433.7028 14538.7336 235.2955 -203314.5712 2584.3731 0.0000 0.0000 51938.1844 -109610.3467 298.4895 -161548.5311 -109245.9923 298.3092 -4.1357 21.8903 761155.9923 -1.4343 -1.4114 PRESSURE: 4021600 -117.92 38.709 -181.082 38.709 -106.189 265.302 -181.082 265.301 132.058 GPRESSURE: 4021600 43.077 8.4725 -123.787 7.68926 -74.3645 305.917 -197.924 121.787 34.8543 PRESSAVG: 4021600 4.1499 -27.4403 -25.9373 -27.4402 23.6058 40.7328 -25.9373 40.7329 -17.4352 GPRESSAVG: 4021600 2.67026 -26.5056 -24.0177 -27.1367 25.4434 40.444 -28.8056 39.0288 -18.1619 TIMING: 4021600 CPU: 12710.5, 0.0031577/step Wall: 12710.5, 0.0031577/step, 0.858194 hours remaining, 235.066406 MB of memory in use. ENERGY: 4021600 4003.5685 20477.0542 14443.3999 223.6040 -203254.3335 2617.2558 0.0000 0.0000 51854.1711 -109635.2801 298.0066 -161489.4511 -109274.1600 298.3232 -30.6839 1.1889 763952.2260 3.4402 3.3173 PRESSURE: 4021800 97.2555 -124.374 158.331 -124.374 -245.878 73.2625 158.331 73.2635 201.489 GPRESSURE: 4021800 31.9848 -129.87 102.179 -41.3463 -111.309 91.6866 201.151 127.122 233.361 PRESSAVG: 4021800 -2.88585 21.2393 -16.5176 21.2393 3.17742 -4.59532 -16.5176 -4.59542 5.67259 GPRESSAVG: 4021800 -1.67239 21.9686 -18.9476 21.9864 2.12427 -2.75779 -16.9349 -4.11871 5.01378 TIMING: 4021800 CPU: 12711.1, 0.00316865/step Wall: 12711.1, 0.00316865/step, 0.860993 hours remaining, 235.066406 MB of memory in use. ENERGY: 4021800 4045.1082 20449.4045 14459.7976 248.3372 -203243.5605 2696.9048 0.0000 0.0000 51751.3361 -109592.6722 297.4156 -161344.0082 -109241.2581 298.8009 17.6224 51.3455 762453.0984 1.9881 1.8219 PRESSURE: 4022000 166.134 2.93445 -170.713 2.93331 -238.159 -93.9062 -170.713 -93.9072 -271.976 GPRESSURE: 4022000 235.071 97.2626 -149.789 39.5286 -206.632 -105.192 -82.7 69.1799 -263.236 PRESSAVG: 4022000 -4.69257 29.1913 7.49796 29.1913 -29.6518 20.4391 7.49801 20.4391 20.4781 GPRESSAVG: 4022000 -5.39498 27.3259 7.25691 30.854 -29.0751 19.7878 6.47732 18.9612 19.6916 TIMING: 4022000 CPU: 12711.8, 0.00316182/step Wall: 12711.8, 0.00316182/step, 0.858961 hours remaining, 235.066406 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: 4022000 4022.0384 20389.8758 14437.9482 242.0047 -203337.5389 2669.7723 0.0000 0.0000 52037.6810 -109538.2186 299.0613 -161575.8996 -109181.0019 298.6222 -114.6668 -78.2655 763240.1587 -4.6221 -4.9262 PRESSURE: 4022200 -96.7364 -364.138 -75.9038 -364.137 240.448 -23.4324 -75.9025 -23.434 -28.727 GPRESSURE: 4022200 -36.9735 -333.925 -41.9021 -207.786 261.651 2.31482 -37.0423 -10.9665 -35.0044 PRESSAVG: 4022200 6.67896 -18.1369 -6.67872 -18.1368 -14.4523 60.9603 -6.67863 60.9603 6.90768 GPRESSAVG: 4022200 6.76185 -16.9593 -6.73136 -21.1653 -14.2775 60.1361 -4.72286 60.0663 6.5617 TIMING: 4022200 CPU: 12712.4, 0.00317676/step Wall: 12712.4, 0.00317676/step, 0.862843 hours remaining, 235.066406 MB of memory in use. ENERGY: 4022200 3969.1940 20307.9968 14478.8508 251.1127 -203556.1016 2857.6137 0.0000 0.0000 52022.9270 -109668.4066 298.9765 -161691.3336 -109307.4919 298.6086 38.3282 63.2244 762380.4805 -0.2885 -0.3180 PRESSURE: 4022400 -27.6443 -15.2901 29.2315 -15.2901 28.154 30.554 29.2322 30.5531 -265.791 GPRESSURE: 4022400 -29.664 -46.9781 39.7048 -44.1473 38.4721 106.29 -22.9581 97.8859 -205.66 PRESSAVG: 4022400 31.1129 -9.41181 22.9894 -9.41184 -13.6699 24.7464 22.9894 24.7463 3.76015 GPRESSAVG: 4022400 31.5171 -10.3392 23.2499 -9.28895 -14.4399 25.3412 23.858 27.2424 4.14314 TIMING: 4022400 CPU: 12713, 0.00317106/step Wall: 12713, 0.00317106/step, 0.861118 hours remaining, 235.066406 MB of memory in use. ENERGY: 4022400 3956.4022 20364.6079 14441.7437 245.2134 -203638.7130 2731.8843 0.0000 0.0000 52157.4942 -109741.3673 299.7498 -161898.8615 -109380.8933 298.5611 -88.4272 -65.6173 761948.6026 7.0677 7.0735 PRESSURE: 4022600 302.094 158.291 86.0121 158.291 -320.404 234.068 86.0114 234.069 138.657 GPRESSURE: 4022600 344.043 185.696 11.7859 233.126 -261.485 154.135 138.845 229.316 131.304 PRESSAVG: 4022600 1.01149 -3.72376 34.1929 -3.72375 45.7375 -32.2262 34.1929 -32.2262 -2.59476 GPRESSAVG: 4022600 1.12961 -2.25408 35.4584 -4.08565 45.2244 -32.1094 35.1225 -32.4592 -2.70331 TIMING: 4022600 CPU: 12713.7, 0.00317266/step Wall: 12713.7, 0.00317265/step, 0.861376 hours remaining, 235.066406 MB of memory in use. ENERGY: 4022600 3962.1523 20492.6082 14396.0905 228.9817 -203472.5207 2691.7477 0.0000 0.0000 52184.0336 -109516.9067 299.9024 -161700.9403 -109152.7724 299.2080 40.1155 71.2874 762618.9395 14.7181 14.5502 PRESSURE: 4022800 -15.0776 58.9381 9.70946 58.9382 -138.988 64.0901 9.70986 64.0903 -267.633 GPRESSURE: 4022800 -32.933 25.3029 58.1282 12.2007 -38.5274 -5.01478 -58.1092 126.372 -264.948 PRESSAVG: 4022800 -63.4534 -18.8278 37.7507 -18.8278 86.6751 -31.5359 37.7507 -31.536 9.12961 GPRESSAVG: 4022800 -64.2667 -19.5891 36.4389 -17.2939 86.7919 -30.6953 36.0703 -33.3208 9.41882 TIMING: 4022800 CPU: 12714.3, 0.00314868/step Wall: 12714.3, 0.00314868/step, 0.854691 hours remaining, 235.066406 MB of memory in use. ENERGY: 4022800 4057.5460 20433.6402 14421.7059 237.6075 -203455.6054 2666.1994 0.0000 0.0000 51852.1757 -109786.7307 297.9952 -161638.9064 -109426.9317 299.0349 -140.5661 -112.1361 761993.1297 10.7838 10.6480 PRESSURE: 4023000 22.6278 104.103 -162.276 104.103 -126.897 -178.378 -162.276 -178.379 67.9261 GPRESSURE: 4023000 65.1899 157.551 -116.792 255.083 -80.4092 -297.122 -135.844 49.9979 78.2419 PRESSAVG: 4023000 -35.7801 -19.6037 -7.10422 -19.6036 59.2325 -45.2698 -7.10417 -45.2698 1.23401 GPRESSAVG: 4023000 -36.858 -21.2096 -7.20867 -18.0753 60.0841 -44.8072 -8.64067 -43.1948 1.59693 TIMING: 4023000 CPU: 12714.9, 0.00317556/step Wall: 12714.9, 0.00317556/step, 0.861812 hours remaining, 235.066406 MB of memory in use. ENERGY: 4023000 3983.8404 20394.8134 14459.3733 235.6811 -203889.3236 2936.2480 0.0000 0.0000 52119.8508 -109759.5166 299.5335 -161879.3674 -109393.3209 298.6051 -12.1143 21.0075 761936.2796 8.2288 8.2743 PRESSURE: 4023200 3.10487 120.543 -27.4139 120.543 140.108 6.20379 -27.4127 6.20321 -143.397 GPRESSURE: 4023200 48.0119 148.179 -76.2741 122.97 174.235 -34.5875 -103.92 19.809 -142.577 PRESSAVG: 4023200 -11.3043 30.2742 -2.59715 30.2742 48.0157 39.8858 -2.59716 39.8858 -21.3721 GPRESSAVG: 4023200 -9.49176 32.3583 -2.97453 27.6383 46.4247 38.9303 -0.279545 38.6387 -21.3004 TIMING: 4023200 CPU: 12715.6, 0.00319732/step Wall: 12715.6, 0.00319732/step, 0.86754 hours remaining, 235.066406 MB of memory in use. ENERGY: 4023200 3976.4456 20417.6084 14455.1780 220.4559 -203547.7810 2836.8003 0.0000 0.0000 51923.6438 -109717.6490 298.4059 -161641.2928 -109354.4088 298.2903 -0.0614 26.5569 762258.8374 5.1131 5.2108 PRESSURE: 4023400 111.479 -78.038 -91.2494 -78.0386 -85.5012 51.8447 -91.2486 51.844 40.7399 GPRESSURE: 4023400 66.4024 -113.847 -57.0798 -75.4886 19.6332 94.2534 38.146 -29.0617 61.4043 PRESSAVG: 4023400 20.961 -19.2389 4.73427 -19.2388 30.6257 17.49 4.73429 17.49 29.4724 GPRESSAVG: 4023400 20.5914 -20.5629 5.13361 -18.5506 32.4267 18.0649 2.69683 15.9909 28.0928 TIMING: 4023400 CPU: 12716.2, 0.00318868/step Wall: 12716.2, 0.00318868/step, 0.865018 hours remaining, 235.066406 MB of memory in use. ENERGY: 4023400 3867.9625 20584.2440 14535.3300 224.3777 -203253.7872 2568.3244 0.0000 0.0000 51895.1966 -109578.3520 298.2424 -161473.5487 -109205.7129 298.2432 22.2391 49.1467 762279.3742 27.0197 27.0370 PRESSURE: 4023600 -144.096 -200.417 -107.577 -200.416 -240.682 64.9344 -107.578 64.9344 -164.132 GPRESSURE: 4023600 -65.7185 -61.3172 -120.489 -191.747 -179.976 60.4257 52.7946 55.2877 -202.144 PRESSAVG: 4023600 -34.3554 -31.0087 -62.631 -31.0087 11.0458 6.34572 -62.631 6.3456 0.403756 GPRESSAVG: 4023600 -35.0751 -32.2803 -62.1696 -29.0707 10.4437 6.25023 -62.3665 8.13286 2.51398 TIMING: 4023600 CPU: 12716.8, 0.00317687/step Wall: 12716.8, 0.00317687/step, 0.861638 hours remaining, 235.066406 MB of memory in use. ENERGY: 4023600 3975.0394 20310.8376 14496.2461 226.0800 -202882.7110 2179.3246 0.0000 0.0000 52185.5525 -109509.6307 299.9111 -161695.1833 -109143.1819 298.8778 -182.9702 -149.2796 760946.0196 -7.6353 -7.3725 PRESSURE: 4023800 190.917 107.862 166.068 107.861 -20.2076 -163.822 166.068 -163.823 62.896 GPRESSURE: 4023800 181.056 72.1485 156.18 36.0054 -20.1341 -179.221 203.289 -108.36 157.948 PRESSAVG: 4023800 43.5275 -26.1851 -11.0858 -26.185 -13.2857 4.63489 -11.0858 4.6349 -7.34078 GPRESSAVG: 4023800 43.2118 -24.1411 -12.3793 -28.6887 -12.3153 3.24183 -10.6599 6.2465 -7.89363 TIMING: 4023800 CPU: 12717.5, 0.00319711/step Wall: 12717.5, 0.00319711/step, 0.866949 hours remaining, 235.269531 MB of memory in use. ENERGY: 4023800 4006.7826 20498.6891 14463.4956 250.0041 -203501.4904 2694.7710 0.0000 0.0000 52029.5382 -109558.2098 299.0145 -161587.7480 -109190.4033 298.9737 77.8686 106.2898 760275.6943 7.6337 7.6676 PRESSURE: 4024000 150 30.3479 -167.261 30.3471 -73.2477 245.827 -167.262 245.827 329.155 GPRESSURE: 4024000 162.678 51.607 -114.07 25.8862 -49.2319 296.263 -176.123 170.496 349.242 PRESSAVG: 4024000 12.8921 -4.37615 4.53025 -4.37617 23.8185 -7.88842 4.53031 -7.88842 10.4645 GPRESSAVG: 4024000 14.1001 -5.86212 5.40501 -3.48207 22.6299 -7.64093 5.36934 -8.9356 9.97728 TIMING: 4024000 CPU: 12718.1, 0.00320726/step Wall: 12718.1, 0.00320726/step, 0.869525 hours remaining, 235.269531 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: 4024000 3986.3369 20477.3534 14425.4126 263.4132 -202955.1085 2438.4891 0.0000 0.0000 51681.9432 -109682.1601 297.0168 -161364.1033 -109317.6244 298.7765 135.3025 154.2293 761378.7509 15.7251 15.5691 PRESSURE: 4024200 -351.295 16.2204 28.517 16.2203 -183.473 -203.594 28.5172 -203.594 176.023 GPRESSURE: 4024200 -284.322 72.6566 -20.598 -19.5949 -248.595 -187.532 38.6116 -134.372 237.884 PRESSAVG: 4024200 -24.4229 6.26479 1.83636 6.26478 18.7027 29.8824 1.83637 29.8823 -16.6078 GPRESSAVG: 4024200 -24.4929 7.44776 2.16942 5.78237 18.584 32.3033 1.94572 29.0266 -16.7272 TIMING: 4024200 CPU: 12718.8, 0.00319045/step Wall: 12718.8, 0.00319045/step, 0.86479 hours remaining, 235.269531 MB of memory in use. ENERGY: 4024200 3901.2439 20553.4095 14535.2321 249.7370 -203295.2716 2490.5529 0.0000 0.0000 51935.7642 -109629.3321 298.4756 -161565.0962 -109277.7565 298.5859 -119.5816 -98.3445 761307.1392 -7.4427 -7.5454 LDB: ============= START OF LOAD BALANCING ============== 12731.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12731.3 LDB: =============== DONE WITH MIGRATION ================ 12731.3 LDB: ============= START OF LOAD BALANCING ============== 12731.6 LDB: Largest compute 7027 load 0.031106 is 15.9% of average load 0.195663 LDB: Average compute 0.004366 is 2.2% of average load 0.195663 LDB: TIME 12731.6 LOAD: AVG 0.195663 MAX 0.212333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.84 MB LDB: TIME 12731.6 LOAD: AVG 0.195663 MAX 0.212333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.043 MB LDB: TIME 12731.6 LOAD: AVG 0.195663 MAX 0.212333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.043 MB LDB: ============== END OF LOAD BALANCING =============== 12731.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12731.6 PRESSURE: 4024400 20.9886 -94.8088 -399.073 -94.8094 400.175 -11.8904 -399.073 -11.8911 -344.544 GPRESSURE: 4024400 70.393 -90.2294 -368.666 -162.446 404.516 -48.699 -195.03 -15.2842 -302.21 PRESSAVG: 4024400 -30.0643 -27.7023 -34.1588 -27.7023 70.9188 -39.7042 -34.1587 -39.7043 14.6 GPRESSAVG: 4024400 -29.7153 -29.4304 -32.4098 -26.6988 71.3552 -39.6903 -34.9027 -40.2729 13.7689 TIMING: 4024400 CPU: 12719.4, 0.00326/step Wall: 12719.4, 0.00326/step, 0.883459 hours remaining, 235.906250 MB of memory in use. ENERGY: 4024400 4040.7731 20359.6807 14454.4292 248.1494 -203404.0464 2924.6346 0.0000 0.0000 51954.8125 -109421.5669 298.5850 -161376.3794 -109065.4979 298.8076 25.5399 57.5661 760813.7557 18.4848 18.4696 PRESSURE: 4024600 -194.35 -104.168 -9.16163 -104.169 -66.3931 78.7075 -9.16092 78.7066 -133.484 GPRESSURE: 4024600 -163.157 -143.163 -142.192 -22.4203 27.1419 -0.621309 -134.937 71.0856 -180.913 PRESSAVG: 4024600 41.4497 -14.8593 7.23404 -14.8593 -23.4899 -3.04621 7.23405 -3.04621 1.04393 GPRESSAVG: 4024600 41.4964 -14.7774 6.11893 -15.9863 -23.1724 -1.83659 7.63528 -2.98846 1.00689 TIMING: 4024600 CPU: 12720.1, 0.00320804/step Wall: 12720.1, 0.00320804/step, 0.8692 hours remaining, 236.109375 MB of memory in use. ENERGY: 4024600 4006.5742 20485.4197 14435.1502 245.0493 -203100.3717 2533.8738 0.0000 0.0000 52016.7010 -109377.6035 298.9407 -161394.3045 -109020.1012 299.1718 -131.4090 -105.6426 762653.6073 6.3346 6.4436 PRESSURE: 4024800 57.1887 -179.499 127.309 -179.498 23.8493 -42.6909 127.309 -42.6904 23.4504 GPRESSURE: 4024800 208.781 -129.417 116.145 -180.662 -15.8495 -40.0962 231.758 -111.645 1.30886 PRESSAVG: 4024800 22.9265 30.1841 -13.1783 30.1841 -31.9394 21.8935 -13.1783 21.8934 5.58924 GPRESSAVG: 4024800 22.7087 32.3149 -14.1691 31.8549 -31.5981 20.3188 -13.7746 21.8937 5.17844 TIMING: 4024800 CPU: 12720.7, 0.00321234/step Wall: 12720.7, 0.00321234/step, 0.870187 hours remaining, 236.109375 MB of memory in use. ENERGY: 4024800 3984.3692 20504.7945 14403.9050 257.1062 -203067.3213 2547.5333 0.0000 0.0000 51902.5310 -109467.0821 298.2846 -161369.6131 -109113.1224 299.4912 34.8294 64.7467 761464.1902 -1.1412 -1.2370 PRESSURE: 4025000 159.872 -111.892 166.913 -111.892 152.23 -93.0901 166.913 -93.0904 227.693 GPRESSURE: 4025000 47.0679 -98.422 113.869 -88.3214 241.46 -133.576 192.716 -103.095 324.614 PRESSAVG: 4025000 -19.9834 -49.361 36.3656 -49.3609 25.2027 14.0427 36.3656 14.0428 -0.150434 GPRESSAVG: 4025000 -21.3937 -49.7736 36.1676 -49.4015 25.8762 13.5807 36.5635 13.3343 0.55607 TIMING: 4025000 CPU: 12721.3, 0.00318879/step Wall: 12721.3, 0.00318879/step, 0.863631 hours remaining, 236.109375 MB of memory in use. ENERGY: 4025000 3984.5726 20468.4474 14446.2455 239.1923 -203475.7311 2892.5797 0.0000 0.0000 52103.4004 -109341.2932 299.4390 -161444.6937 -108974.3457 299.1653 179.9317 204.3806 761115.1778 1.6896 1.6795 PRESSURE: 4025200 158.21 -49.9715 -133.288 -49.9719 237.982 129.377 -133.288 129.377 539.899 GPRESSURE: 4025200 200.773 -62.4203 7.80736 -93.7046 304.264 229.314 -31.7473 105.002 535.612 PRESSAVG: 4025200 -47.8593 -42.0508 -0.186119 -42.0509 75.4288 -0.362088 -0.186138 -0.362087 -3.30855 GPRESSAVG: 4025200 -47.2119 -44.3172 2.49781 -41.8556 73.751 1.63335 0.454023 0.795599 -2.01628 TIMING: 4025200 CPU: 12722, 0.00319155/step Wall: 12722, 0.00319155/step, 0.8642 hours remaining, 236.109375 MB of memory in use. ENERGY: 4025200 3963.9540 20495.5262 14469.3043 229.3030 -203431.1674 2795.6767 0.0000 0.0000 52245.8854 -109231.5179 300.2578 -161477.4033 -108875.6482 299.4246 312.0302 346.8829 759654.9943 8.0870 8.1742 PRESSURE: 4025400 -218.012 91.5719 223.234 91.5719 -101.547 253.954 223.235 253.954 -254.303 GPRESSURE: 4025400 -289.458 32.7101 252.4 91.0708 -28.5753 330.043 158.4 259.828 -163.092 PRESSAVG: 4025400 -49.1105 -40.2621 -69.0918 -40.2622 10.6668 51.8226 -69.0918 51.8226 -17.6259 GPRESSAVG: 4025400 -48.3764 -38.2937 -70.0206 -40.8237 12.3953 50.4517 -69.1808 51.4936 -19.2205 TIMING: 4025400 CPU: 12722.6, 0.00319403/step Wall: 12722.6, 0.00319403/step, 0.864694 hours remaining, 236.109375 MB of memory in use. ENERGY: 4025400 3985.8094 20519.9075 14423.1192 235.3368 -202762.4187 2223.2789 0.0000 0.0000 52200.8074 -109174.1595 299.9988 -161374.9669 -108807.4585 299.8024 -191.2873 -160.3752 761126.2362 -18.6899 -18.4005 PRESSURE: 4025600 -100.041 -82.1961 -64.7616 -82.1962 -57.5857 -90.0335 -64.761 -90.0334 -281.677 GPRESSURE: 4025600 -111.367 -99.7602 -47.7555 27.7248 -27.0778 -92.4816 -157.375 -192.161 -216.04 PRESSAVG: 4025600 9.74285 -2.11472 44.9347 -2.11477 -2.22277 18.9415 44.9347 18.9414 15.913 GPRESSAVG: 4025600 9.42569 -1.48993 44.7526 -2.24144 -2.23254 18.7887 42.5243 20.7555 16.126 TIMING: 4025600 CPU: 12723.3, 0.00321398/step Wall: 12723.3, 0.00321398/step, 0.869916 hours remaining, 236.109375 MB of memory in use. ENERGY: 4025600 3980.7477 20561.5353 14464.3976 252.2710 -203042.2012 2353.0771 0.0000 0.0000 52260.6051 -109169.5674 300.3424 -161430.1725 -108805.2999 299.9460 -146.4346 -118.1617 761964.2909 7.8110 7.7730 PRESSURE: 4025800 -179.707 -66.281 -148.23 -66.2814 -177.925 -108.393 -148.231 -108.393 -432.538 GPRESSURE: 4025800 -114.281 50.9886 -89.0942 -48.4252 -194.724 -36.1931 -113.346 -97.649 -373.923 PRESSAVG: 4025800 -14.6234 2.47709 25.8577 2.47707 32.4022 38.0785 25.8577 38.0785 -0.11004 GPRESSAVG: 4025800 -14.679 0.877775 26.643 3.86087 32.1513 37.8888 25.6633 35.9709 0.0761328 TIMING: 4025800 CPU: 12723.9, 0.0032045/step Wall: 12723.9, 0.0032045/step, 0.867172 hours remaining, 236.109375 MB of memory in use. ENERGY: 4025800 4075.0701 20432.4207 14352.5887 249.6735 -202750.4173 2406.4848 0.0000 0.0000 52012.7508 -109221.4287 298.9180 -161234.1795 -108865.5862 299.1696 -263.3899 -227.6427 762147.1756 5.8896 5.8495 PRESSURE: 4026000 -43.9437 -62.7824 200.303 -62.7822 135.697 -104.552 200.302 -104.55 -192.472 GPRESSURE: 4026000 -23.3326 34.0856 260.636 8.46793 158.028 -197.776 263.556 -109.221 -151.476 PRESSAVG: 4026000 13.3696 22.2806 12.4428 22.2806 -6.06737 -25.0721 12.4428 -25.0721 2.91529 GPRESSAVG: 4026000 12.9041 24.3523 10.6809 20.9212 -5.25861 -26.1206 14.7649 -25.2985 3.12491 TIMING: 4026000 CPU: 12724.5, 0.0032181/step Wall: 12724.5, 0.0032181/step, 0.870674 hours remaining, 236.109375 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: 4026000 3990.7779 20593.9735 14471.3661 249.6652 -203272.9726 2753.0513 0.0000 0.0000 51877.8627 -109336.2759 298.1428 -161214.1386 -108976.0995 299.2743 -33.5728 -5.5936 761364.1796 3.4058 3.5901 PRESSURE: 4026200 174.955 244.856 232.225 244.857 48.0547 -72.7428 232.225 -72.7437 208.156 GPRESSURE: 4026200 201.714 304.336 210.14 90.6369 86.9013 -85.1911 152.503 -114.107 208.431 PRESSAVG: 4026200 -8.46917 -1.14695 6.67622 -1.14699 -9.19625 -27.5012 6.67621 -27.5012 -19.9977 GPRESSAVG: 4026200 -8.15897 0.167881 6.95713 -0.835261 -9.8638 -27.5275 4.15389 -26.6551 -20.1009 TIMING: 4026200 CPU: 12725.2, 0.00320092/step Wall: 12725.2, 0.00320092/step, 0.865849 hours remaining, 236.109375 MB of memory in use. ENERGY: 4026200 3944.0986 20414.2130 14451.6369 247.4829 -202961.7144 2395.9993 0.0000 0.0000 51833.7430 -109674.5406 297.8892 -161508.2836 -109321.5918 299.2825 143.7221 165.6821 761071.3558 -12.5544 -12.7079 PRESSURE: 4026400 108.65 7.63112 -52.1287 7.63103 -314.862 -125.835 -52.1294 -125.835 -87.3306 GPRESSURE: 4026400 99.7359 -70.9031 -113.157 -41.5359 -280.769 -23.7319 -41.7882 -165.239 -30.2648 PRESSAVG: 4026400 12.9643 30.5897 54.3032 30.5896 -43.235 11.9006 54.3032 11.9007 1.02764 GPRESSAVG: 4026400 12.2644 27.4277 55.5668 29.7723 -43.0112 14.0274 55.8798 11.2041 1.32942 TIMING: 4026400 CPU: 12725.8, 0.00319756/step Wall: 12725.8, 0.00319756/step, 0.864762 hours remaining, 236.109375 MB of memory in use. ENERGY: 4026400 4007.7829 20584.8709 14452.5643 245.5363 -203536.8510 2699.9404 0.0000 0.0000 51999.1201 -109547.0362 298.8397 -161546.1563 -109197.8788 299.0755 -97.8473 -70.4328 761997.3947 -9.7477 -9.8058 PRESSURE: 4026600 391.724 -97.0382 -33.2367 -97.0394 17.7545 3.53767 -33.2359 3.53834 159.793 GPRESSURE: 4026600 393.916 -11.8987 -24.1909 57.8821 141.959 82.0129 74.5266 -120.146 116.963 PRESSAVG: 4026600 -14.0614 5.43182 23.3089 5.43173 10.3383 -2.875 23.309 -2.875 -2.73063 GPRESSAVG: 4026600 -13.5452 6.78535 23.2676 5.58297 9.70179 -4.34276 23.9975 -2.63346 -2.50666 TIMING: 4026600 CPU: 12726.5, 0.00318777/step Wall: 12726.5, 0.00318777/step, 0.861938 hours remaining, 236.109375 MB of memory in use. ENERGY: 4026600 4016.7594 20478.8118 14407.2628 251.4405 -203200.2706 2760.9140 0.0000 0.0000 51856.5372 -109428.5449 298.0202 -161285.0821 -109076.0712 299.3843 189.7570 217.6127 762535.6382 -2.1513 -2.1167 PRESSURE: 4026800 98.7156 41.5695 -182.761 41.5695 -148.295 216.304 -182.761 216.303 -65.3955 GPRESSURE: 4026800 129.019 106.074 -194.042 6.12769 -46.9213 170.006 -165.25 94.6778 -83.9928 PRESSAVG: 4026800 -15.1905 2.52755 -10.517 2.5275 -32.3138 16.4226 -10.5169 16.4225 21.6625 GPRESSAVG: 4026800 -14.4368 1.84852 -11.7321 2.01186 -32.0376 17.9323 -10.2705 15.6643 20.6357 TIMING: 4026800 CPU: 12727.1, 0.00318718/step Wall: 12727.1, 0.00318718/step, 0.8616 hours remaining, 236.109375 MB of memory in use. ENERGY: 4026800 4013.2663 20402.7399 14447.5388 228.9537 -203600.0386 2810.3130 0.0000 0.0000 52226.0651 -109471.1619 300.1439 -161697.2271 -109104.8589 299.0120 -38.3250 -0.6317 762926.1885 -8.6139 -8.6129 PRESSURE: 4027000 -183.181 -62.1649 -103.263 -62.1642 -221.39 29.1812 -103.262 29.183 -566.302 GPRESSURE: 4027000 -193.842 -94.0629 -108.323 -84.7395 -259.251 177.563 -159.767 -37.8503 -454.209 PRESSAVG: 4027000 6.75255 -44.2431 18.6258 -44.243 -40.9004 47.4687 18.6257 47.4687 -2.16383 GPRESSAVG: 4027000 6.41936 -44.1414 18.6614 -42.4884 -41.8843 46.1937 17.8712 48.144 -1.87902 TIMING: 4027000 CPU: 12727.7, 0.00318172/step Wall: 12727.7, 0.00318172/step, 0.859948 hours remaining, 236.109375 MB of memory in use. ENERGY: 4027000 4085.8195 20622.1451 14443.0750 254.6608 -203429.9619 2573.8120 0.0000 0.0000 52061.3257 -109389.1238 299.1972 -161450.4495 -109028.1470 299.3414 -323.6244 -302.4339 762910.6974 -12.1039 -12.4480 PRESSURE: 4027200 -299.623 138.801 14.1553 138.801 -288.702 184.182 14.1555 184.182 -195.925 GPRESSURE: 4027200 -320.892 135.683 -29.795 9.1899 -196.833 259.368 72.0729 55.4179 -185.234 PRESSAVG: 4027200 -34.2277 21.2851 -2.1095 21.2851 22.2004 21.5501 -2.10954 21.5501 -31.7563 GPRESSAVG: 4027200 -33.2098 21.6818 -1.38876 18.9805 22.4879 22.2601 -0.129661 20.5851 -32.6086 TIMING: 4027200 CPU: 12728.4, 0.00319235/step Wall: 12728.4, 0.00319235/step, 0.862643 hours remaining, 236.109375 MB of memory in use. ENERGY: 4027200 3978.1048 20451.6418 14386.3342 251.9835 -203281.2346 2574.0725 0.0000 0.0000 52181.4583 -109457.6395 299.8876 -161639.0978 -109102.7808 299.3451 -261.4165 -234.3197 763375.3122 -14.5945 -14.4435 PRESSURE: 4027400 -18.2714 44.0439 -123.181 44.0439 258.61 -87.3244 -123.182 -87.3255 -48.9699 GPRESSURE: 4027400 -104.777 -32.6321 -84.7009 -44.1385 318.957 -20.7052 -6.36767 -117.314 55.6901 PRESSAVG: 4027400 -11.2989 45.1478 -11.6964 45.1478 53.3588 8.09974 -11.6964 8.09978 -2.81951 GPRESSAVG: 4027400 -12.7087 45.3025 -10.0214 43.3266 54.2904 7.86311 -14.3262 11.5374 -1.96413 TIMING: 4027400 CPU: 12729, 0.0032103/step Wall: 12729, 0.0032103/step, 0.867316 hours remaining, 236.109375 MB of memory in use. ENERGY: 4027400 4015.6150 20585.3146 14537.5975 261.9203 -203335.7964 2635.1181 0.0000 0.0000 51757.5815 -109542.6495 297.4515 -161300.2310 -109184.3410 299.3014 63.7897 89.9569 762323.9545 13.0801 13.2058 PRESSURE: 4027600 -29.104 -150.766 148.36 -150.766 -46.1493 -62.0627 148.36 -62.0627 -502.074 GPRESSURE: 4027600 -27.7941 -139.66 169.799 -332.45 -9.06847 -13.5776 85.0187 -250.073 -470.58 PRESSAVG: 4027600 -20.4947 -40.8084 -1.291 -40.8084 26.1653 30.6953 -1.29101 30.6954 21.2227 GPRESSAVG: 4027600 -20.312 -42.0529 -3.32195 -39.2655 24.58 30.451 0.141847 29.5944 22.2804 TIMING: 4027600 CPU: 12729.7, 0.00318952/step Wall: 12729.7, 0.00318952/step, 0.861525 hours remaining, 236.109375 MB of memory in use. ENERGY: 4027600 3994.4701 20317.6713 14419.3605 259.1114 -203183.0302 2477.6358 0.0000 0.0000 52004.6101 -109710.1710 298.8712 -161714.7811 -109349.2061 298.1839 -192.4425 -169.1477 761064.1583 8.9644 8.8495 PRESSURE: 4027800 -413.575 -122.028 55.0344 -122.029 -136.272 -82.3191 55.0349 -82.3197 -285.982 GPRESSURE: 4027800 -394.92 -199.707 74.0771 -39.5738 -58.6213 -63.3693 -7.79013 -63.38 -291.247 PRESSAVG: 4027800 -33.9809 23.4718 47.5789 23.4718 -29.5434 38.0239 47.5789 38.024 -17.79 GPRESSAVG: 4027800 -34.2435 24.1389 47.7051 22.1671 -29.2449 37.9485 46.8701 38.0726 -17.9957 TIMING: 4027800 CPU: 12730.3, 0.00314025/step Wall: 12730.3, 0.00314025/step, 0.848042 hours remaining, 236.109375 MB of memory in use. ENERGY: 4027800 4066.0914 20356.3182 14432.2562 245.2675 -202994.5302 2462.2059 0.0000 0.0000 51985.6046 -109446.7864 298.7620 -161432.3910 -109092.9904 297.9467 -278.6099 -248.2627 764428.8086 -27.1047 -27.1614 PRESSURE: 4028000 149.592 78.2343 98.9163 78.235 22.6121 -14.3644 98.9154 -14.3646 -118.176 GPRESSURE: 4028000 119.104 125.742 27.2063 14.7744 24.4883 127.428 121.053 -14.1287 -20.2043 PRESSAVG: 4028000 22.0293 10.2024 -31.2846 10.2024 -41.9602 45.8906 -31.2847 45.8905 -20.4698 GPRESSAVG: 4028000 22.0763 10.3849 -31.9161 10.8259 -41.8194 47.3311 -31.1429 46.6461 -20.6027 TIMING: 4028000 CPU: 12730.9, 0.00318014/step Wall: 12730.9, 0.00318014/step, 0.858637 hours remaining, 236.109375 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: 4028000 4014.6145 20344.6463 14502.7930 267.7176 -203311.2943 2878.8638 0.0000 0.0000 51895.4855 -109407.1736 298.2441 -161302.6591 -109057.5106 298.4507 18.0093 41.1295 764411.8799 -13.4669 -13.4486 PRESSURE: 4028200 63.4692 -245.571 93.2711 -245.571 -140.808 -76.5173 93.2711 -76.517 373.31 GPRESSURE: 4028200 109.85 -91.4648 28.1272 -155.981 -48.4998 -42.3793 128.743 -128.314 325.874 PRESSAVG: 4028200 65.5533 46.5084 3.6464 46.5084 -59.159 -28.0319 3.64638 -28.0318 12.7441 GPRESSAVG: 4028200 66.9538 47.887 5.02923 47.69 -59.8881 -27.3774 2.86926 -28.9507 12.8228 TIMING: 4028200 CPU: 12731.6, 0.00317895/step Wall: 12731.6, 0.00317895/step, 0.858139 hours remaining, 236.109375 MB of memory in use. ENERGY: 4028200 4011.2967 20335.6762 14511.4538 235.3979 -203386.5370 2759.7248 0.0000 0.0000 51989.1265 -109543.8610 298.7822 -161532.9875 -109181.9400 298.6772 98.6569 129.0744 763326.5976 6.3795 6.6295 LDB: ============= START OF LOAD BALANCING ============== 12744.1 LDB: ============== END OF LOAD BALANCING =============== 12744.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12744.1 LDB: ============= START OF LOAD BALANCING ============== 12744.4 LDB: Largest compute 7058 load 0.031407 is 16.1% of average load 0.195599 LDB: Average compute 0.004387 is 2.2% of average load 0.195599 LDB: TIME 12744.4 LOAD: AVG 0.195599 MAX 0.21266 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.867 MB LDB: TIME 12744.4 LOAD: AVG 0.195599 MAX 0.21266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.938 MB LDB: TIME 12744.4 LOAD: AVG 0.195599 MAX 0.21266 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.938 MB LDB: ============== END OF LOAD BALANCING =============== 12744.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12744.4 PRESSURE: 4028400 215.33 -16.2193 147.445 -16.2185 75.8843 109.024 147.445 109.026 -289.162 GPRESSURE: 4028400 262.673 40.7739 191.853 31.9983 104.468 167.596 82.7893 31.5311 -251.989 PRESSAVG: 4028400 -35.4655 22.8714 -8.83862 22.8714 24.0141 3.3832 -8.8386 3.38314 5.13234 GPRESSAVG: 4028400 -35.0327 21.9091 -9.88758 22.8591 24.9551 1.77202 -8.53267 3.85918 4.09066 TIMING: 4028400 CPU: 12732.2, 0.00324434/step Wall: 12732.2, 0.00324434/step, 0.87561 hours remaining, 236.597656 MB of memory in use. ENERGY: 4028400 4062.2041 20546.9391 14508.7198 254.8738 -203345.4517 2686.8580 0.0000 0.0000 52046.5077 -109239.3492 299.1120 -161285.8569 -108894.3476 299.1384 0.6842 38.3840 760655.7750 -2.1064 -1.9956 PRESSURE: 4028600 -224.427 151.383 89.0827 151.383 -256.878 -17.8484 89.0825 -17.8475 -284.628 GPRESSURE: 4028600 -202.586 187.106 75.9899 -112.393 -160.127 12.9639 2.77732 -76.6747 -323.369 PRESSAVG: 4028600 -36.2347 -18.781 9.23979 -18.781 27.2703 54.1696 9.23974 54.1696 8.77438 GPRESSAVG: 4028600 -36.8152 -20.6989 11.0056 -18.9652 28.2964 54.3613 9.07603 54.9452 7.92869 TIMING: 4028600 CPU: 12732.8, 0.00321491/step Wall: 12732.8, 0.00321491/step, 0.867491 hours remaining, 237.070312 MB of memory in use. ENERGY: 4028600 3992.2859 20706.2022 14490.2893 253.7138 -203037.6118 2445.0988 0.0000 0.0000 51945.6472 -109204.3744 298.5323 -161150.0217 -108851.3363 299.4656 -255.3107 -228.6939 762110.5791 -0.0633 -0.1967 PRESSURE: 4028800 271.666 -106.17 171.697 -106.17 41.9559 -59.4812 171.698 -59.4796 204.885 GPRESSURE: 4028800 261.562 -158.342 212.305 -72.8551 143.696 -16.6656 150.766 -134.31 202.405 PRESSAVG: 4028800 -65.5037 -52.1641 -9.02058 -52.1642 21.6747 42.4731 -9.02045 42.4731 18.4099 GPRESSAVG: 4028800 -65.0587 -49.2537 -9.86607 -53.0423 21.2537 41.8646 -9.35052 42.8165 18.841 TIMING: 4028800 CPU: 12733.5, 0.00319683/step Wall: 12733.5, 0.00319683/step, 0.862434 hours remaining, 237.070312 MB of memory in use. ENERGY: 4028800 4029.2241 20669.1390 14492.0880 250.0515 -203339.2243 2651.2101 0.0000 0.0000 52087.7214 -109159.7901 299.3489 -161247.5115 -108807.4096 299.5659 172.8356 202.5543 760218.9358 -8.4731 -8.3213 PRESSURE: 4029000 146.513 -229.725 106.859 -229.725 -459.692 306.713 106.859 306.714 131.288 GPRESSURE: 4029000 209.56 -207.515 111.619 -230.008 -447.803 223.966 148.647 206.428 148.834 PRESSAVG: 4029000 -0.78598 -21.4126 5.9829 -21.4126 -20.6464 46.7722 5.98284 46.7723 -8.57102 GPRESSAVG: 4029000 -1.16764 -23.7433 5.43873 -20.5344 -19.7891 47.1298 5.76541 45.2576 -9.15255 TIMING: 4029000 CPU: 12734.1, 0.00316555/step Wall: 12734.1, 0.00316555/step, 0.853819 hours remaining, 237.070312 MB of memory in use. ENERGY: 4029000 3991.7283 20333.3078 14492.1732 254.5441 -203195.6061 2658.1216 0.0000 0.0000 52276.8872 -109188.8438 300.4360 -161465.7310 -108826.7676 299.7070 -60.6302 -29.8032 760293.0818 -10.0011 -10.0364 PRESSURE: 4029200 -91.1102 179.17 21.4554 179.171 -175.15 -28.2054 21.4561 -28.206 -200.961 GPRESSURE: 4029200 -34.6338 163.928 32.1379 213.25 -167.619 -81.4344 65.9714 -40.5155 -185.658 PRESSAVG: 4029200 15.8891 38.6892 32.2818 38.6892 9.46049 19.6491 32.2818 19.6491 -24.3563 GPRESSAVG: 4029200 14.2577 41.3798 32.3518 38.2534 8.13356 20.0078 34.7258 19.5653 -21.3203 TIMING: 4029200 CPU: 12734.8, 0.00317474/step Wall: 12734.8, 0.00317474/step, 0.856121 hours remaining, 237.070312 MB of memory in use. ENERGY: 4029200 4022.6854 20492.9996 14363.3313 254.6986 -203436.2780 2729.0764 0.0000 0.0000 52315.2851 -109258.2016 300.6567 -161573.4867 -108890.8159 299.5841 -155.7402 -129.3037 762808.7580 0.3311 0.3570 PRESSURE: 4029400 234.664 53.7606 57.801 53.7606 136.825 -171.397 57.8002 -171.396 -224.681 GPRESSURE: 4029400 170.599 140.384 105.527 -30.2374 255.697 -260.202 20.0799 -142.268 -196.919 PRESSAVG: 4029400 -18.0726 15.5965 51.3769 15.5964 11.7401 -14.7476 51.3769 -14.7476 11.3476 GPRESSAVG: 4029400 -16.6748 13.13 52.4768 14.0182 11.908 -13.5344 48.5471 -15.0285 9.43719 TIMING: 4029400 CPU: 12735.4, 0.00317305/step Wall: 12735.4, 0.00317305/step, 0.855489 hours remaining, 237.070312 MB of memory in use. ENERGY: 4029400 4044.6775 20598.4173 14464.6553 229.3108 -203227.8758 2592.5271 0.0000 0.0000 52163.5132 -109134.7745 299.7844 -161298.2877 -108773.0370 300.2191 48.9363 76.4590 762390.0907 1.6717 1.5568 PRESSURE: 4029600 93.2092 89.4794 188.453 89.479 -28.8328 53.663 188.454 53.664 18.9126 GPRESSURE: 4029600 153.401 70.696 208.486 60.9728 119.829 76.7422 119.69 129.058 -90.5865 PRESSAVG: 4029600 -10.5359 -1.83615 0.651866 -1.83616 55.1809 17.7422 0.651834 17.7422 -15.4588 GPRESSAVG: 4029600 -10.6387 0.500216 -2.12876 0.521833 55.6359 18.5775 3.29224 18.8275 -15.7096 TIMING: 4029600 CPU: 12736, 0.00318775/step Wall: 12736, 0.00318775/step, 0.859276 hours remaining, 237.070312 MB of memory in use. ENERGY: 4029600 4007.8068 20653.9928 14432.0893 251.8593 -203396.8964 2698.9733 0.0000 0.0000 52089.5153 -109262.6597 299.3592 -161352.1750 -108902.0792 299.4709 27.7630 60.8810 761782.3458 9.7287 9.7626 PRESSURE: 4029800 -42.7963 64.8925 250.431 64.8927 -106.879 103.352 250.43 103.352 -224.129 GPRESSURE: 4029800 82.6403 50.3083 232.879 87.8021 -141.909 99.9554 144.438 71.7171 -240.152 PRESSAVG: 4029800 -62.4057 9.26726 25.4181 9.26731 15.1259 67.3303 25.4181 67.3304 5.86637 GPRESSAVG: 4029800 -62.972 8.26552 28.0152 9.52557 14.7843 67.0857 23.0369 67.4242 6.12826 TIMING: 4029800 CPU: 12736.7, 0.00319608/step Wall: 12736.7, 0.00319608/step, 0.861344 hours remaining, 237.070312 MB of memory in use. ENERGY: 4029800 4011.5928 20742.2656 14458.8675 263.2529 -203508.5081 2715.4264 0.0000 0.0000 51824.0355 -109493.0673 297.8334 -161317.1028 -109137.3704 298.8148 -124.6014 -99.8071 762475.5535 -13.8045 -14.0198 PRESSURE: 4030000 -29.0478 -153.725 171.212 -153.725 -166.042 255.275 171.212 255.274 -239.034 GPRESSURE: 4030000 1.4033 -105.151 132.405 -179.816 -196.512 265.826 206.818 267.871 -162.996 PRESSAVG: 4030000 23.8218 -62.71 -26.672 -62.71 -26.8945 35.8815 -26.672 35.8815 -21.3576 GPRESSAVG: 4030000 23.3861 -64.1179 -25.9574 -61.6288 -28.1501 34.0095 -26.7674 36.6053 -19.7236 TIMING: 4030000 CPU: 12737.3, 0.00320664/step Wall: 12737.3, 0.00320663/step, 0.86401 hours remaining, 237.070312 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: 4030000 4056.4525 20416.4662 14450.7073 250.9058 -203465.0776 2737.7686 0.0000 0.0000 52119.3679 -109433.4093 299.5307 -161552.7772 -109080.4106 298.6948 -144.7080 -119.3681 763555.9369 -8.1434 -8.1626 PRESSURE: 4030200 -97.3008 200.025 191.643 200.024 -164.029 42.0389 191.644 42.0404 328.687 GPRESSURE: 4030200 -44.7528 271.091 276.98 209.334 -101.255 161.453 243.921 -64.8482 271.174 PRESSAVG: 4030200 -12.3176 49.7743 20.3734 49.7743 19.7058 51.0454 20.3734 51.0454 13.7379 GPRESSAVG: 4030200 -12.7688 50.4624 20.0141 48.3744 20.1248 53.3888 21.4549 50.5145 13.4796 TIMING: 4030200 CPU: 12737.9, 0.00316622/step Wall: 12737.9, 0.00316622/step, 0.852943 hours remaining, 237.070312 MB of memory in use. ENERGY: 4030200 3908.1850 20529.3069 14423.2680 248.7818 -203194.8177 2730.0419 0.0000 0.0000 51794.0133 -109561.2209 297.6609 -161355.2342 -109200.9087 298.8592 22.4523 41.7221 761609.9266 7.0421 6.9452 PRESSURE: 4030400 -162.054 -189.557 85.7413 -189.556 327.969 -1.81904 85.7408 -1.81923 192.099 GPRESSURE: 4030400 -129.349 -203.382 14.1234 -62.5445 301.126 -32.2862 19.9206 -39.875 242.14 PRESSAVG: 4030400 -81.5601 -24.3193 16.2341 -24.3193 50.7199 0.744025 16.2342 0.744047 13.9956 GPRESSAVG: 4030400 -80.6342 -25.3914 12.9983 -23.9516 50.183 -1.32712 16.1845 2.64049 13.9757 TIMING: 4030400 CPU: 12738.6, 0.00316486/step Wall: 12738.6, 0.00316486/step, 0.852402 hours remaining, 237.070312 MB of memory in use. ENERGY: 4030400 3982.0418 20482.3249 14482.0861 233.8682 -203311.2204 2622.3854 0.0000 0.0000 52001.6733 -109506.8407 298.8543 -161508.5140 -109153.5782 298.3635 119.3380 137.9724 760834.6359 -5.6148 -5.4918 PRESSURE: 4030600 62.2129 -88.3154 -40.479 -88.3157 -74.1532 66.7369 -40.4784 66.7365 -411.243 GPRESSURE: 4030600 4.31823 -82.0082 -120.047 -64.7383 -0.102267 90.3615 17.744 -36.6662 -362.373 PRESSAVG: 4030600 -55.1295 7.61607 12.4799 7.61611 39.0827 81.058 12.4799 81.058 -1.639 GPRESSAVG: 4030600 -56.0893 9.47668 14.7595 7.28497 40.7303 80.7558 11.9206 78.1555 -1.89795 TIMING: 4030600 CPU: 12739.2, 0.00318017/step Wall: 12739.2, 0.00318017/step, 0.85635 hours remaining, 237.070312 MB of memory in use. ENERGY: 4030600 3981.4706 20430.4066 14465.5888 222.4095 -202883.2459 2427.2313 0.0000 0.0000 52171.3400 -109184.7992 299.8294 -161356.1392 -108817.5395 299.1294 -141.0612 -119.3857 763115.1324 -5.8953 -5.7523 PRESSURE: 4030800 -128.281 37.1234 66.5565 37.1236 112.697 108.289 66.5563 108.289 -224.278 GPRESSURE: 4030800 -53.8187 -106.431 81.3987 -27.8798 148.183 82.0588 63.213 166.686 -239.795 PRESSAVG: 4030800 -39.1639 -26.397 44.4223 -26.397 45.1624 81.7724 44.4223 81.7724 -5.24795 GPRESSAVG: 4030800 -38.4352 -28.0106 44.8951 -26.0901 45.5431 81.2161 45.5479 83.3088 -6.63357 TIMING: 4030800 CPU: 12739.8, 0.00318482/step Wall: 12739.8, 0.00318482/step, 0.857423 hours remaining, 237.070312 MB of memory in use. ENERGY: 4030800 4052.5717 20562.4195 14357.6931 260.4783 -202715.8908 2389.9947 0.0000 0.0000 51907.5431 -109185.1905 298.3134 -161092.7336 -108832.1614 299.7611 -79.9540 -48.4768 762218.7480 0.2502 0.1581 PRESSURE: 4031000 -82.7406 -129.115 50.7929 -129.114 35.6714 118.034 50.7932 118.034 -83.2302 GPRESSURE: 4031000 -23.4741 -85.8487 59.6003 31.0661 33.0905 181.042 122.125 78.602 -40.9192 PRESSAVG: 4031000 -56.7518 0.326223 4.56438 0.326271 44.1615 7.31548 4.56443 7.31549 2.07619 GPRESSAVG: 4031000 -56.8582 -0.591652 5.83085 0.663491 42.395 8.5116 4.55928 6.54968 3.85627 TIMING: 4031000 CPU: 12740.5, 0.0031782/step Wall: 12740.5, 0.0031782/step, 0.855465 hours remaining, 237.070312 MB of memory in use. ENERGY: 4031000 3985.7487 20582.0924 14440.4563 260.0079 -202937.8128 2549.5836 0.0000 0.0000 52065.1379 -109054.7861 299.2191 -161119.9239 -108694.7768 299.1739 -43.4331 -10.4343 762309.9433 -3.5047 -3.5357 PRESSURE: 4031200 339.775 30.5369 -205.657 30.5375 327.602 -15.4759 -205.658 -15.475 181.04 GPRESSURE: 4031200 313.369 38.9013 -190.29 84.5686 305.124 -151.91 -226.789 -2.1251 313.898 PRESSAVG: 4031200 6.5975 -18.2874 -24.5681 -18.2875 9.51146 8.99172 -24.5682 8.99175 17.6754 GPRESSAVG: 4031200 5.17296 -16.6221 -26.947 -18.4658 10.792 9.14869 -24.0612 9.03219 17.6297 TIMING: 4031200 CPU: 12741.1, 0.00315519/step Wall: 12741.1, 0.00315519/step, 0.849096 hours remaining, 237.070312 MB of memory in use. ENERGY: 4031200 3907.3505 20584.7688 14380.8885 242.8135 -202904.9579 2817.8592 0.0000 0.0000 52100.5453 -108870.7320 299.4226 -160971.2774 -108513.1839 300.1691 282.8055 310.7970 762701.3417 11.2615 11.1982 PRESSURE: 4031400 -116.119 7.67589 147.218 7.67586 182.659 38.1543 147.218 38.1531 258.115 GPRESSURE: 4031400 -51.4561 -10.7823 130.985 -63.1438 187.128 -15.7713 115.501 167.927 268.215 PRESSAVG: 4031400 -17.6436 -20.3727 -31.8336 -20.3727 32.4193 33.6205 -31.8335 33.6205 -5.17167 GPRESSAVG: 4031400 -15.6906 -22.498 -31.6811 -20.1694 31.2302 33.5856 -32.2512 33.3301 -6.34564 TIMING: 4031400 CPU: 12741.7, 0.00317318/step Wall: 12741.7, 0.00317318/step, 0.853761 hours remaining, 237.070312 MB of memory in use. ENERGY: 4031400 3976.4767 20427.6516 14399.3872 247.4051 -203169.5734 2760.0774 0.0000 0.0000 52473.8421 -108884.7334 301.5679 -161358.5755 -108513.6037 300.0614 108.2184 134.6289 762184.5485 3.2014 3.0647 PRESSURE: 4031600 -44.134 79.1654 188.089 79.1655 -69.2415 99.8161 188.089 99.8146 36.2565 GPRESSURE: 4031600 -25.8963 -54.3967 245.596 26.3254 16.3014 110.45 169.188 123.206 9.82986 PRESSAVG: 4031600 -28.5055 -61.3006 28.608 -61.3006 29.557 19.0272 28.608 19.0272 25.6535 GPRESSAVG: 4031600 -30.3193 -59.9867 29.6569 -59.8255 30.8666 18.8932 26.7936 20.5987 26.4802 TIMING: 4031600 CPU: 12742.4, 0.00316671/step Wall: 12742.4, 0.00316671/step, 0.851845 hours remaining, 237.070312 MB of memory in use. ENERGY: 4031600 3883.1808 20664.4684 14443.8832 238.6916 -202807.5239 2573.4029 0.0000 0.0000 52005.4478 -108998.4492 298.8760 -161003.8970 -108634.9089 299.9275 -25.7063 0.0783 763743.6500 8.9017 9.0092 PRESSURE: 4031800 -27.9217 202.195 -89.4908 202.195 25.7858 243.874 -89.4908 243.873 -384.871 GPRESSURE: 4031800 51.4657 2.69348 -185.256 94.5104 -24.4527 244.922 49.6777 283.692 -332.606 PRESSAVG: 4031800 -22.7364 -2.05457 24.1787 -2.05453 17.3386 44.5671 24.1787 44.567 -5.26384 GPRESSAVG: 4031800 -22.9088 -2.53888 24.3519 -4.0667 17.2185 44.2788 26.7775 42.6944 -5.10183 TIMING: 4031800 CPU: 12743, 0.00318549/step Wall: 12743, 0.00318549/step, 0.856719 hours remaining, 237.070312 MB of memory in use. ENERGY: 4031800 3991.5998 20460.9731 14381.1559 243.3291 -203164.4889 2810.6310 0.0000 0.0000 52215.9882 -109060.8119 300.0860 -161276.8001 -108696.4368 299.5758 -129.0022 -101.8644 762370.6159 -3.5539 -3.5974 PRESSURE: 4032000 40.0767 -59.9347 -131.278 -59.9359 88.727 121.606 -131.277 121.606 118.837 GPRESSURE: 4032000 -83.6263 -168.571 -59.7956 -70.2692 272.089 191.899 -112.704 173.771 151.219 PRESSAVG: 4032000 -12.4004 11.7833 71.8919 11.7833 6.30407 67.482 71.892 67.4819 5.52326 GPRESSAVG: 4032000 -10.1948 11.4706 71.8487 12.0795 5.31995 68.0415 70.8632 67.3275 4.6925 TIMING: 4032000 CPU: 12743.7, 0.00318693/step Wall: 12743.7, 0.00318693/step, 0.856931 hours remaining, 237.070312 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: 4032000 4061.6914 20621.1902 14385.6702 229.4180 -203219.0274 2671.4331 0.0000 0.0000 52114.8420 -109134.7826 299.5047 -161249.6245 -108773.9899 299.5103 82.5467 113.2273 761653.4148 -0.1910 -0.0608 PRESSURE: 4032200 68.6483 -74.5238 -268.997 -74.5237 279.839 -12.7493 -268.998 -12.7486 327.489 GPRESSURE: 4032200 102.129 38.861 -235.812 9.67823 345.754 30.1981 -96.2758 68.3762 305.339 PRESSAVG: 4032200 18.4457 4.79692 -5.12303 4.7969 -11.9753 13.99 -5.12308 13.99 9.00554 GPRESSAVG: 4032200 17.5064 6.61633 -3.72082 5.17316 -11.4206 12.6586 -8.24436 16.5048 9.74071 TIMING: 4032200 CPU: 12744.3, 0.00321599/step Wall: 12744.3, 0.00321599/step, 0.864566 hours remaining, 237.070312 MB of memory in use. ENERGY: 4032200 4031.8947 20580.9973 14474.0224 242.6044 -203377.6804 2822.8695 0.0000 0.0000 52030.7929 -109194.4992 299.0217 -161225.2921 -108846.5170 299.1615 225.3254 251.0738 760929.4948 5.1586 5.2755 LDB: ============= START OF LOAD BALANCING ============== 12756.8 LDB: ============== END OF LOAD BALANCING =============== 12756.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12756.8 LDB: ============= START OF LOAD BALANCING ============== 12757.2 LDB: Largest compute 7076 load 0.032530 is 16.6% of average load 0.195765 LDB: Average compute 0.004376 is 2.2% of average load 0.195765 LDB: TIME 12757.2 LOAD: AVG 0.195765 MAX 0.216952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 12757.2 LOAD: AVG 0.195765 MAX 0.216952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.836 MB LDB: TIME 12757.2 LOAD: AVG 0.195765 MAX 0.216952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.836 MB LDB: ============== END OF LOAD BALANCING =============== 12757.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12757.2 PRESSURE: 4032400 -210.159 -177.932 44.498 -177.931 -274.431 113.861 44.4979 113.861 -248.414 GPRESSURE: 4032400 -216.058 -236.667 41.5942 -161.541 -202.054 44.7879 69.2114 -16.4641 -231.734 PRESSAVG: 4032400 -23.2328 -25.9077 -5.41234 -25.9076 25.0052 0.191239 -5.4123 0.191259 11.6708 GPRESSAVG: 4032400 -23.6999 -26.3587 -7.14868 -25.7248 25.9918 1.17991 -0.52248 -2.35999 11.579 TIMING: 4032400 CPU: 12744.9, 0.00325509/step Wall: 12744.9, 0.00325509/step, 0.874895 hours remaining, 235.382812 MB of memory in use. ENERGY: 4032400 3947.1813 20593.7814 14438.6984 236.8122 -203035.1576 2559.0014 0.0000 0.0000 51929.9549 -109329.7280 298.4422 -161259.6829 -108971.4244 298.9118 -244.3349 -216.6152 762499.5691 4.4810 4.6237 PRESSURE: 4032600 177.495 9.96991 -147.615 9.96899 31.1212 44.9625 -147.615 44.9619 -17.8157 GPRESSURE: 4032600 192.04 95.1459 -95.0319 -12.178 58.6733 6.88816 -50.5344 151.847 0.824914 PRESSAVG: 4032600 24.8627 -38.9056 35.0884 -38.9056 -3.72825 35.8133 35.0884 35.8132 16.2765 GPRESSAVG: 4032600 24.7916 -39.4191 34.2345 -38.6656 -4.15255 36.8574 33.7267 34.9641 16.5542 TIMING: 4032600 CPU: 12745.6, 0.00317867/step Wall: 12745.6, 0.00317867/step, 0.854179 hours remaining, 235.437500 MB of memory in use. ENERGY: 4032600 4104.9317 20512.0292 14414.7847 245.3039 -203426.5102 2725.3992 0.0000 0.0000 52119.1067 -109304.9548 299.5292 -161424.0615 -108942.0454 299.7580 63.6003 83.8461 761511.4729 12.4703 12.3978 PRESSURE: 4032800 391.508 125.927 -101.251 125.928 -194.909 -5.43769 -101.253 -5.43738 106.078 GPRESSURE: 4032800 372.581 -50.6433 -99.962 -11.3701 -161.277 -69.6633 -2.17842 92.1088 154.498 PRESSAVG: 4032800 56.3783 -24.842 36.5098 -24.842 -14.6431 29.3313 36.5098 29.3313 4.6673 GPRESSAVG: 4032800 56.8858 -26.289 37.4778 -23.9934 -14.9494 28.9258 37.3872 32.0788 4.74261 TIMING: 4032800 CPU: 12746.2, 0.00321898/step Wall: 12746.2, 0.00321898/step, 0.864832 hours remaining, 235.472656 MB of memory in use. ENERGY: 4032800 4072.4893 20576.7310 14419.4149 238.2745 -203049.8799 2512.7987 0.0000 0.0000 51895.7037 -109334.4677 298.2453 -161230.1714 -108966.8598 299.2255 100.8925 121.9341 762795.5455 15.4675 15.5597 PRESSURE: 4033000 -194.285 -89.7154 82.9145 -89.7156 210.924 -109.059 82.9155 -109.059 122.177 GPRESSURE: 4033000 -161.67 21.4408 124.3 -42.5368 246.999 -0.348749 -29.2201 -128.34 109.629 PRESSAVG: 4033000 9.27344 8.67458 68.2223 8.67461 -46.3667 -30.4548 68.2223 -30.4549 -11.1849 GPRESSAVG: 4033000 8.13719 9.42895 70.6032 6.07309 -45.9703 -31.1729 66.3664 -30.9465 -10.3476 TIMING: 4033000 CPU: 12746.9, 0.00321999/step Wall: 12746.9, 0.00321999/step, 0.864924 hours remaining, 235.472656 MB of memory in use. ENERGY: 4033000 4012.9659 20513.1602 14483.5058 250.2379 -203408.4629 2557.9634 0.0000 0.0000 52058.3817 -109532.2480 299.1802 -161590.6296 -109164.0273 299.0742 46.2718 64.9858 763397.8239 -16.0927 -16.0603 PRESSURE: 4033200 -60.8111 44.8344 150.381 44.8341 11.3489 142.96 150.38 142.96 444.154 GPRESSURE: 4033200 4.34044 -22.0449 131.89 7.90975 112.515 253.349 96.6737 94.2176 385.828 PRESSAVG: 4033200 1.89159 -4.50909 70.6278 -4.50905 38.1832 -46.3115 70.6278 -46.3116 28.3041 GPRESSAVG: 4033200 3.28762 -2.5199 67.2917 -4.52299 38.125 -45.502 71.9533 -48.6559 26.6518 TIMING: 4033200 CPU: 12747.5, 0.0031956/step Wall: 12747.5, 0.0031956/step, 0.858197 hours remaining, 235.710938 MB of memory in use. ENERGY: 4033200 4075.5077 20367.1966 14454.9800 245.1702 -203980.8775 3002.1201 0.0000 0.0000 52317.3364 -109518.5665 300.6685 -161835.9030 -109151.5721 299.6263 131.5639 167.5610 762491.2340 22.7930 22.6881 PRESSURE: 4033400 -166.477 -7.78215 -206.941 -7.78122 621.597 143.252 -206.941 143.251 31.244 GPRESSURE: 4033400 -24.0698 -85.4416 -235.134 19.2954 510.328 95.8041 -307.245 84.172 82.5105 PRESSAVG: 4033400 9.81364 -11.5332 26.7718 -11.5332 16.566 40.5181 26.7718 40.5181 5.41544 GPRESSAVG: 4033400 9.96841 -13.5964 27.6644 -11.562 17.1617 40.5013 25.1823 41.8415 5.19806 TIMING: 4033400 CPU: 12748.2, 0.00322554/step Wall: 12748.2, 0.00322554/step, 0.866058 hours remaining, 235.710938 MB of memory in use. ENERGY: 4033400 4015.7760 20593.2860 14448.5690 234.3794 -203640.4024 2797.3054 0.0000 0.0000 52273.7251 -109277.3615 300.4178 -161551.0866 -108913.7085 299.4949 162.1213 189.5896 762229.2958 10.5984 10.7760 PRESSURE: 4033600 -22.0946 -0.683359 -121.409 -0.682702 -826.107 52.0665 -121.41 52.0659 -139.239 GPRESSURE: 4033600 -169.07 -70.6918 -112.458 0.980251 -634.136 15.2877 -170.213 63.2646 -101.933 PRESSAVG: 4033600 -52.0201 -18.8248 29.7855 -18.8248 41.4244 1.11031 29.7855 1.11034 11.6253 GPRESSAVG: 4033600 -53.5122 -17.5337 30.1997 -17.0289 41.3545 -1.08604 29.1516 3.1172 12.7408 TIMING: 4033600 CPU: 12748.8, 0.00321358/step Wall: 12748.8, 0.00321358/step, 0.862666 hours remaining, 235.710938 MB of memory in use. ENERGY: 4033600 4089.1016 20610.0589 14414.2368 237.5836 -203014.6788 2386.6571 0.0000 0.0000 52137.0034 -109140.0373 299.6321 -161277.0408 -108786.4758 299.8246 -329.1470 -301.7129 763196.7256 0.3432 0.1944 PRESSURE: 4033800 135.107 -191.179 14.6312 -191.179 -22.8773 -181.27 14.631 -181.27 95.0852 GPRESSURE: 4033800 165.074 -90.0936 36.1236 -258.99 54.8409 -95.18 83.9456 -214.932 63.3274 PRESSAVG: 4033800 -41.5861 -6.92905 -1.16026 -6.92909 16.6684 64.3629 -1.16028 64.363 -11.1861 GPRESSAVG: 4033800 -40.8012 -7.56211 -0.382437 -5.66122 16.4101 66.5789 0.345185 64.3848 -11.3931 TIMING: 4033800 CPU: 12749.4, 0.00321892/step Wall: 12749.4, 0.00321892/step, 0.863922 hours remaining, 235.710938 MB of memory in use. ENERGY: 4033800 3986.0596 20662.5796 14403.9383 249.4780 -203798.2477 2950.9150 0.0000 0.0000 52256.8693 -109288.4078 300.3209 -161545.2770 -108915.8228 299.8262 69.1051 94.4141 761686.6033 -12.0346 -11.9281 PRESSURE: 4034000 29.7424 -70.6968 2.12505 -70.6975 37.149 -140.949 2.12528 -140.949 -13.0297 GPRESSURE: 4034000 99.5345 -31.7461 -29.4183 -94.2195 129.035 -168.411 127.007 -174.24 -92.6067 PRESSAVG: 4034000 -67.5227 37.3058 56.0864 37.3059 88.2804 3.29152 56.0863 3.29143 17.4979 GPRESSAVG: 4034000 -68.4197 38.1465 55.6816 34.1509 89.2043 2.14461 58.7958 1.71173 17.1051 TIMING: 4034000 CPU: 12750.1, 0.00323558/step Wall: 12750.1, 0.00323558/step, 0.868215 hours remaining, 235.710938 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: 4034000 4097.1998 20658.5351 14509.5191 255.7088 -203737.4236 2668.2113 0.0000 0.0000 52069.1194 -109479.1300 299.2419 -161548.2494 -109110.6189 299.5674 17.9539 45.3210 760393.7872 12.7519 12.6299 PRESSURE: 4034200 -33.6976 -50.4635 -32.9464 -50.4627 367.656 -71.532 -32.9462 -71.5323 134.791 GPRESSURE: 4034200 47.7554 -101.574 -111.375 68.4809 353.759 -116.95 -97.1522 -130.712 155.42 PRESSAVG: 4034200 -35.9863 -38.6631 36.2229 -38.6632 57.5201 -8.42172 36.2229 -8.42174 -1.91042 GPRESSAVG: 4034200 -34.8328 -38.5848 34.5442 -37.7446 56.7124 -8.36542 33.2095 -7.60762 -1.86844 TIMING: 4034200 CPU: 12750.7, 0.00320727/step Wall: 12750.7, 0.00320727/step, 0.86044 hours remaining, 235.710938 MB of memory in use. ENERGY: 4034200 4003.5985 20513.9252 14516.5325 236.3299 -203488.4734 2710.3553 0.0000 0.0000 52091.0956 -109416.6364 299.3682 -161507.7320 -109050.7228 299.2790 156.2497 185.6450 760634.0548 6.5411 6.6704 PRESSURE: 4034400 -21.3261 -29.0869 -27.1297 -29.086 29.7133 144.353 -27.129 144.353 113.6 GPRESSURE: 4034400 -30.98 30.2788 -82.6214 -139.578 88.6006 123.595 -40.4019 146.516 134.395 PRESSAVG: 4034400 -101.663 -40.9195 28.8211 -40.9195 101.857 37.0168 28.8211 37.0168 -20.4374 GPRESSAVG: 4034400 -102.109 -41.2682 29.6308 -42.3372 102.585 37.9739 29.1412 37.1228 -21.2144 TIMING: 4034400 CPU: 12751.4, 0.0031755/step Wall: 12751.4, 0.0031755/step, 0.85174 hours remaining, 235.710938 MB of memory in use. ENERGY: 4034400 4035.6939 20584.3826 14507.6523 253.5087 -203915.7552 2956.0454 0.0000 0.0000 52343.3414 -109235.1310 300.8179 -161578.4724 -108883.0574 299.4818 40.6623 64.0053 761096.0432 -6.7479 -6.9129 PRESSURE: 4034600 -137.257 20.429 18.7563 20.4286 22.9917 151.714 18.7563 151.713 -306.354 GPRESSURE: 4034600 -20.2922 10.8432 70.931 -21.8937 -54.3134 94.9943 30.4818 -25.943 -256.267 PRESSAVG: 4034600 -19.383 -37.7712 -11.3203 -37.7712 26.7787 -7.58128 -11.3203 -7.58127 -9.62575 GPRESSAVG: 4034600 -18.5726 -39.6286 -10.8268 -37.1765 25.5844 -9.35814 -10.7384 -8.33364 -9.21686 TIMING: 4034600 CPU: 12752, 0.0031868/step Wall: 12752, 0.0031868/step, 0.854593 hours remaining, 235.710938 MB of memory in use. ENERGY: 4034600 3975.4209 20725.5427 14454.1742 271.1531 -203525.8684 2619.2989 0.0000 0.0000 51962.4876 -109517.7910 298.6291 -161480.2786 -109161.1943 299.4759 -140.2064 -110.2910 761594.9225 -0.7433 -0.7350 PRESSURE: 4034800 -323.075 -223.794 202.05 -223.795 -204.539 -158.795 202.05 -158.796 -324.256 GPRESSURE: 4034800 -351.576 -201.015 146.431 -222.889 -166.227 -162.537 177.875 -115.185 -245.03 PRESSAVG: 4034800 -30.7865 -25.8075 21.6009 -25.8075 22.0271 -58.9558 21.6009 -58.9558 -5.72688 GPRESSAVG: 4034800 -31.5836 -24.9776 20.6848 -25.6468 22.4014 -59.0433 21.5705 -58.6305 -5.3497 TIMING: 4034800 CPU: 12752.6, 0.0031803/step Wall: 12752.6, 0.0031803/step, 0.852675 hours remaining, 235.710938 MB of memory in use. ENERGY: 4034800 4078.6795 20592.6354 14421.9235 251.7087 -203525.1277 2538.7161 0.0000 0.0000 52152.2082 -109489.2564 299.7195 -161641.4645 -109121.2616 299.4259 -283.9568 -254.2776 762340.8997 -4.8288 -4.8440 PRESSURE: 4035000 -249.463 93.7313 -141.162 93.7304 89.8326 94.2048 -141.162 94.205 339.549 GPRESSURE: 4035000 -187.926 144.541 -162.377 -8.51088 196.955 54.4988 -97.835 80.9168 248.753 PRESSAVG: 4035000 -46.2893 -18.2131 7.35532 -18.2131 38.1624 -31.7904 7.35533 -31.7905 -20.8676 GPRESSAVG: 4035000 -46.7675 -17.82 7.11813 -17.5048 38.4675 -30.9366 7.89838 -33.2508 -20.3552 TIMING: 4035000 CPU: 12753.3, 0.0031742/step Wall: 12753.3, 0.0031742/step, 0.850862 hours remaining, 235.710938 MB of memory in use. ENERGY: 4035000 4010.5184 20720.7298 14397.5968 257.1928 -203340.4102 2366.7409 0.0000 0.0000 52092.4344 -109495.1972 299.3759 -161587.6316 -109139.2123 299.7865 59.9729 85.9274 762806.2879 -9.6648 -9.5517 PRESSURE: 4035200 34.6657 -206.389 -196.253 -206.388 -59.1251 -145.359 -196.253 -145.358 106.115 GPRESSURE: 4035200 39.2472 -242.156 -86.1718 -210.423 27.803 -139.575 -81.8292 -128.299 109.844 PRESSAVG: 4035200 -2.09789 -19.6836 34.0092 -19.6836 18.5878 25.9671 34.0093 25.9671 10.6934 GPRESSAVG: 4035200 -1.12964 -19.2247 35.4154 -22.3054 17.9605 26.1285 33.3048 28.4965 10.586 TIMING: 4035200 CPU: 12753.9, 0.00320863/step Wall: 12753.9, 0.00320863/step, 0.859912 hours remaining, 235.710938 MB of memory in use. ENERGY: 4035200 4061.4429 20633.5550 14436.3104 249.2260 -203895.7218 2973.6564 0.0000 0.0000 51760.6000 -109780.9312 297.4689 -161541.5312 -109425.6071 299.1549 27.2185 58.9647 761309.0151 9.0611 9.1389 PRESSURE: 4035400 -487.486 -5.57079 -222.463 -5.57129 -78.6373 69.9681 -222.464 69.9671 -353.514 GPRESSURE: 4035400 -307.657 70.947 -203.788 -16.8107 -232.325 79.537 -287.349 14.197 -296.159 PRESSAVG: 4035400 -10.6105 -24.8908 11.5368 -24.8908 1.03494 -20.1436 11.5368 -20.1436 11.4951 GPRESSAVG: 4035400 -10.2497 -25.8039 10.2035 -23.8796 0.349221 -19.895 10.9044 -20.7451 11.6406 TIMING: 4035400 CPU: 12754.6, 0.00318016/step Wall: 12754.6, 0.00318016/step, 0.852105 hours remaining, 235.710938 MB of memory in use. ENERGY: 4035400 4094.3082 20640.3613 14521.2502 240.1162 -203568.3779 2508.1399 0.0000 0.0000 51865.6176 -109698.5845 298.0724 -161564.2022 -109348.3348 298.8415 -306.5456 -278.7138 762156.1516 0.6398 0.5800 PRESSURE: 4035600 36.2682 54.5742 87.2554 54.5738 5.82292 125.779 87.2557 125.78 189.488 GPRESSURE: 4035600 4.77551 -22.6768 31.8073 47.8925 166.597 181.928 196.525 10.8541 172.214 PRESSAVG: 4035600 -20.4858 -26.4175 43.9377 -26.4175 43.8865 -14.5276 43.9377 -14.5276 -10.932 GPRESSAVG: 4035600 -19.3573 -24.8499 43.2182 -26.5903 44.3212 -14.1373 45.5769 -15.4234 -12.2272 TIMING: 4035600 CPU: 12755.2, 0.00318501/step Wall: 12755.2, 0.00318501/step, 0.853229 hours remaining, 235.710938 MB of memory in use. ENERGY: 4035600 3992.5757 20519.0026 14427.0049 240.6460 -203830.2363 2963.5434 0.0000 0.0000 52117.1795 -109570.2843 299.5181 -161687.4638 -109200.4702 299.1681 77.1932 114.5289 761700.8685 4.1562 4.2456 PRESSURE: 4035800 -153.976 302.761 32.6225 302.761 -210.236 -25.7914 32.6223 -25.792 -230.415 GPRESSURE: 4035800 -188.23 231.714 7.29045 294.892 -113.843 -0.164483 38.4155 -137.442 -212.982 PRESSAVG: 4035800 -21.3447 -22.5397 17.3646 -22.5396 -6.75382 -35.5825 17.3646 -35.5824 -8.73461 GPRESSAVG: 4035800 -23.0716 -23.8355 17.5556 -19.6821 -6.98867 -35.494 16.4678 -35.2345 -7.25963 TIMING: 4035800 CPU: 12755.8, 0.00320217/step Wall: 12755.8, 0.00320217/step, 0.857647 hours remaining, 235.710938 MB of memory in use. ENERGY: 4035800 3954.3841 20490.6918 14391.3383 259.2878 -203377.1549 2772.3455 0.0000 0.0000 52139.5869 -109369.5203 299.6469 -161509.1072 -108995.0418 299.6654 -198.2091 -171.6852 762761.3687 -12.2777 -12.4400 PRESSURE: 4036000 -85.6549 82.7114 118.918 82.7109 -236.082 -62.6473 118.918 -62.6455 13.2093 GPRESSURE: 4036000 -114.946 28.7115 123.705 41.1697 -117.677 11.8905 144.722 21.0737 11.2175 PRESSAVG: 4036000 0.840178 -30.75 -0.96757 -30.75 -3.00378 -91.2328 -0.967513 -91.2329 17.9327 GPRESSAVG: 4036000 2.62646 -31.6328 -0.514833 -32.761 -3.22649 -90.0939 -0.131411 -89.1403 16.314 TIMING: 4036000 CPU: 12756.5, 0.0031774/step Wall: 12756.5, 0.0031774/step, 0.850836 hours remaining, 235.710938 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: 4036000 4013.3006 20684.1979 14413.7825 254.7736 -203168.7942 2408.9827 0.0000 0.0000 51957.9746 -109435.7823 298.6032 -161393.7570 -109083.1665 299.4342 -102.8426 -73.8019 762843.7661 5.2564 5.2380 PRESSURE: 4036200 124.65 -18.693 34.1495 -18.6929 122.52 -65.1079 34.1502 -65.1067 79.5981 GPRESSURE: 4036200 105.444 -34.4625 -15.5158 -80.5607 147.407 -57.875 81.6092 -225.777 152.372 PRESSAVG: 4036200 33.46 -72.4005 -22.6589 -72.4005 -27.2975 -71.1975 -22.6589 -71.1974 7.85329 GPRESSAVG: 4036200 30.8364 -71.2223 -22.3363 -72.8088 -26.1909 -71.0076 -22.5048 -74.6981 9.43246 TIMING: 4036200 CPU: 12757.1, 0.00317896/step Wall: 12757.1, 0.00317896/step, 0.851078 hours remaining, 235.710938 MB of memory in use. ENERGY: 4036200 4007.8679 20420.4152 14435.1450 232.8169 -203545.5247 2809.4163 0.0000 0.0000 52060.7017 -109579.1618 299.1936 -161639.8635 -109214.5538 299.0619 108.9227 135.0746 760982.8355 4.6720 4.6927 LDB: ============= START OF LOAD BALANCING ============== 12769.6 LDB: ============== END OF LOAD BALANCING =============== 12769.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12769.6 LDB: ============= START OF LOAD BALANCING ============== 12770 LDB: Largest compute 7077 load 0.033439 is 17.1% of average load 0.195614 LDB: Average compute 0.004407 is 2.3% of average load 0.195614 LDB: TIME 12770 LOAD: AVG 0.195614 MAX 0.214055 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 12770 LOAD: AVG 0.195614 MAX 0.214055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 12770 LOAD: AVG 0.195614 MAX 0.214055 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 12770 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12770 Info: useSync: 0 useProxySync: 0 PRESSURE: 4036400 -30.0147 -93.9625 -120.341 -93.9636 60.1652 -272.893 -120.341 -272.893 -471.925 GPRESSURE: 4036400 74.4946 -141.757 -103.336 -113.733 21.4774 -158.91 -175.566 -295.631 -454.659 PRESSAVG: 4036400 4.37694 -60.6518 10.5672 -60.6519 1.89787 -34.2623 10.5671 -34.2624 -15.2701 GPRESSAVG: 4036400 4.44889 -61.7439 10.848 -58.6337 1.68492 -36.0305 9.44156 -33.7052 -15.2869 TIMING: 4036400 CPU: 12757.8, 0.00324589/step Wall: 12757.8, 0.00324588/step, 0.868815 hours remaining, 237.917969 MB of memory in use. ENERGY: 4036400 3956.3884 20540.1341 14473.8125 246.6048 -203336.4668 2427.6613 0.0000 0.0000 52287.0099 -109404.8559 300.4942 -161691.8658 -109037.0422 299.0181 -147.2581 -119.5625 761667.4091 -2.9984 -3.0510 PRESSURE: 4036600 -103.933 -133.699 30.0867 -133.699 58.4584 139.425 30.0864 139.425 48.8412 GPRESSURE: 4036600 -93.5182 -162.333 47.8382 30.5014 199.952 124.997 72.7086 174.993 -27.56 PRESSAVG: 4036600 31.6345 -80.433 63.0556 -80.4329 -13.0949 -40.2655 63.0556 -40.2655 -15.0411 GPRESSAVG: 4036600 31.5221 -80.3329 61.3405 -80.2023 -11.1599 -40.1211 64.2859 -38.1276 -16.5376 TIMING: 4036600 CPU: 12758.4, 0.00318536/step Wall: 12758.4, 0.00318536/step, 0.852437 hours remaining, 237.984375 MB of memory in use. ENERGY: 4036600 3936.4111 20498.3305 14448.8863 253.0536 -203336.0392 2713.6758 0.0000 0.0000 51964.3913 -109521.2906 298.6401 -161485.6819 -109158.2380 299.0550 1.1221 26.2914 762594.5020 1.1661 1.2748 PRESSURE: 4036800 -286.671 -88.374 135.777 -88.3746 -405.544 95.4867 135.778 95.4856 -572.86 GPRESSURE: 4036800 -260.778 -23.8633 89.2593 -87.4266 -321.196 109.36 186.326 -2.29359 -613.132 PRESSAVG: 4036800 4.91761 -1.79487 56.4184 -1.79489 38.868 -43.4259 56.4183 -43.426 -7.49095 GPRESSAVG: 4036800 6.90609 -0.118324 58.107 -2.353 36.1903 -42.8872 55.1394 -43.9885 -6.6133 TIMING: 4036800 CPU: 12759, 0.00316096/step Wall: 12759, 0.00316096/step, 0.845732 hours remaining, 237.984375 MB of memory in use. ENERGY: 4036800 4072.9517 20557.4905 14491.5469 260.0325 -203308.9460 2466.9444 0.0000 0.0000 52069.3916 -109390.5884 299.2435 -161459.9800 -109029.4363 298.8014 -421.6920 -398.3687 763096.9980 12.0982 12.1610 PRESSURE: 4037000 322.695 -272.568 -143.228 -272.568 -115.188 -37.2519 -143.227 -37.2513 265.058 GPRESSURE: 4037000 289.473 -256.279 -131.987 -223.322 -8.6192 -5.9224 -53.4112 -68.5435 276.688 PRESSAVG: 4037000 35.6656 -33.0773 47.3337 -33.0773 -16.0396 -26.4174 47.3336 -26.4174 14.4414 GPRESSAVG: 4037000 35.2591 -33.791 46.7868 -34.541 -15.3346 -26.6035 46.6467 -28.9087 14.4497 TIMING: 4037000 CPU: 12759.7, 0.00316882/step Wall: 12759.7, 0.00316882/step, 0.84766 hours remaining, 237.984375 MB of memory in use. ENERGY: 4037000 3988.9969 20451.3898 14416.9139 252.2737 -203570.0844 2960.0537 0.0000 0.0000 52125.3740 -109375.0824 299.5652 -161500.4563 -109008.1187 299.0067 157.5213 185.8471 763083.8633 11.3558 11.4580 PRESSURE: 4037200 279.783 -151.17 2.90047 -151.171 55.0158 39.8006 2.90086 39.8017 325.147 GPRESSURE: 4037200 407.285 -99.9982 -37.7754 -129.759 36.172 -14.5459 3.37689 18.8979 312.172 PRESSAVG: 4037200 -5.05904 -93.3144 10.0623 -93.3144 31.2932 -3.79644 10.0623 -3.79652 20.4719 GPRESSAVG: 4037200 -5.11751 -94.0688 9.41966 -92.7967 31.0306 -4.04254 12.885 -2.99409 20.1702 TIMING: 4037200 CPU: 12760.3, 0.00317557/step Wall: 12760.3, 0.00317557/step, 0.849289 hours remaining, 237.984375 MB of memory in use. ENERGY: 4037200 3919.4459 20374.5706 14531.5011 259.3618 -203309.8401 2621.3415 0.0000 0.0000 52233.4874 -109370.1317 300.1866 -161603.6191 -108991.2240 299.5107 219.9820 251.8763 761700.2791 15.5687 15.3611 PRESSURE: 4037400 -36.3378 -35.0051 43.0947 -35.0049 193.268 -5.67888 43.0966 -5.67721 -38.2118 GPRESSURE: 4037400 68.2818 -132.667 55.3968 -54.8967 135.238 16.9064 -52.1869 10.8336 -0.778854 PRESSAVG: 4037400 34.0672 -14.1102 21.0235 -14.1101 -21.1954 -9.22442 21.0235 -9.22442 0.205654 GPRESSAVG: 4037400 35.5392 -13.9111 20.4101 -13.4984 -22.1674 -8.78079 19.2369 -8.49417 0.403604 TIMING: 4037400 CPU: 12760.9, 0.00316577/step Wall: 12760.9, 0.00316577/step, 0.846492 hours remaining, 237.984375 MB of memory in use. ENERGY: 4037400 3988.6741 20580.1886 14499.5421 245.7344 -203352.3490 2535.0847 0.0000 0.0000 52181.4342 -109321.6909 299.8874 -161503.1251 -108961.9543 299.4154 39.5728 67.5803 763485.7033 4.3592 4.5918 PRESSURE: 4037600 94.0553 -105.088 87.5086 -105.087 -309.841 148.52 87.5083 148.52 -201.424 GPRESSURE: 4037600 125.429 -102.92 64.3969 -61.7508 -176.804 256.215 53.2945 -30.4272 -287.537 PRESSAVG: 4037600 31.8328 -39.0259 -11.1254 -39.0259 -10.4333 -23.956 -11.1254 -23.956 -10.2438 GPRESSAVG: 4037600 28.8354 -39.6186 -9.22942 -38.1374 -7.61756 -22.3242 -11.6498 -26.7226 -10.5061 TIMING: 4037600 CPU: 12761.6, 0.00316121/step Wall: 12761.6, 0.00316121/step, 0.845097 hours remaining, 237.984375 MB of memory in use. ENERGY: 4037600 4005.0568 20625.0010 14471.1339 236.3061 -203477.4619 2712.2532 0.0000 0.0000 52077.4024 -109350.3085 299.2895 -161427.7109 -108988.8095 299.8278 -139.0701 -112.9705 762419.8537 3.7185 3.5706 PRESSURE: 4037800 -307.089 -114.944 207.608 -114.944 -293.781 -78.3773 207.608 -78.378 -84.9648 GPRESSURE: 4037800 -242.757 -92.3777 227.866 -16.5715 -312.162 -43.3187 129.199 -63.0298 -61.6772 PRESSAVG: 4037800 18.1169 -62.7478 28.5337 -62.7479 -16.2735 -12.6662 28.5337 -12.6662 10.7989 GPRESSAVG: 4037800 18.5579 -62.756 28.1568 -63.4018 -17.7888 -13.4245 27.8314 -12.5464 11.7805 TIMING: 4037800 CPU: 12762.2, 0.003202/step Wall: 12762.2, 0.003202/step, 0.855825 hours remaining, 237.984375 MB of memory in use. ENERGY: 4037800 3994.4340 20386.4094 14527.3224 255.2254 -203354.0594 2480.8904 0.0000 0.0000 52173.1391 -109536.6387 299.8397 -161709.7778 -109164.8787 299.6739 -228.6114 -205.5319 761908.6224 4.2141 4.1832 PRESSURE: 4038000 52.8863 149.426 35.8076 149.426 -147.353 200.412 35.807 200.412 -29.9765 GPRESSURE: 4038000 24.852 34.8333 -50.368 160.821 -115.704 203.972 142.221 248.338 52.8945 PRESSAVG: 4038000 -27.6919 -49.8955 58.5832 -49.8955 -4.20361 2.97983 58.5832 2.97991 7.3599 GPRESSAVG: 4038000 -26.4315 -50.589 57.6683 -48.6632 -4.82512 2.55489 58.5332 5.44231 6.56478 TIMING: 4038000 CPU: 12762.8, 0.0031774/step Wall: 12762.8, 0.0031774/step, 0.849072 hours remaining, 237.984375 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: 4038000 4040.6160 20532.4311 14538.8857 252.6212 -203726.7834 2758.6594 0.0000 0.0000 52145.4612 -109458.1088 299.6807 -161603.5700 -109100.9115 299.4206 -41.4810 -12.6526 760405.3013 -8.1785 -8.2306 PRESSURE: 4038200 -95.5901 38.0138 39.0937 38.0139 317.838 -352.385 39.0943 -352.385 -129.006 GPRESSURE: 4038200 -28.0027 -30.4885 77.2091 19.6956 290.963 -334.153 25.1581 -240.358 -74.4854 PRESSAVG: 4038200 -26.0104 -69.292 -3.3212 -69.2919 33.1186 -15.0849 -3.32119 -15.0849 -15.5717 GPRESSAVG: 4038200 -27.5469 -68.1135 -1.68034 -71.4106 33.7254 -13.9553 -2.1629 -16.443 -14.7542 TIMING: 4038200 CPU: 12763.5, 0.00319429/step Wall: 12763.5, 0.00319429/step, 0.853408 hours remaining, 237.984375 MB of memory in use. ENERGY: 4038200 3970.9267 20523.9265 14506.1239 254.5651 -203628.9021 2730.6429 0.0000 0.0000 52339.3232 -109303.3940 300.7948 -161642.7172 -108937.3942 299.4041 31.0805 62.8251 761949.5094 -2.8212 -2.8586 PRESSURE: 4038400 -203.31 -22.1923 69.7238 -22.1936 -419.931 -66.825 69.7235 -66.8249 -231.273 GPRESSURE: 4038400 -207.906 118.031 66.2715 -19.1383 -412.254 -48.8712 89.6447 -59.6994 -134.697 PRESSAVG: 4038400 -41.6286 12.3711 22.2475 12.3711 18.4505 -23.0625 22.2474 -23.0624 10.2175 GPRESSAVG: 4038400 -40.3479 13.2162 21.1349 12.6794 18.3355 -24.6116 21.7296 -19.4042 9.44226 TIMING: 4038400 CPU: 12764.1, 0.00319383/step Wall: 12764.1, 0.00319383/step, 0.853108 hours remaining, 237.984375 MB of memory in use. ENERGY: 4038400 4002.1096 20703.3794 14513.8747 272.2009 -203234.9692 2504.3052 0.0000 0.0000 51994.9374 -109244.1621 298.8156 -161239.0994 -108884.2996 299.7675 -284.8383 -251.6190 760464.2248 -4.3202 -4.1901 PRESSURE: 4038600 205.012 -83.2053 -18.9406 -83.2042 -206.064 -5.58463 -18.9401 -5.58321 48.128 GPRESSURE: 4038600 225.632 -185.857 -18.0334 -97.5312 -239.632 41.3549 56.3921 -76.9541 118.559 PRESSAVG: 4038600 -6.09818 -35.4583 -7.45402 -35.4582 0.113911 -5.13513 -7.45395 -5.13508 -9.35452 GPRESSAVG: 4038600 -5.89897 -35.8901 -8.68037 -33.1525 -0.647546 -4.34874 -5.52551 -9.66437 -9.10996 TIMING: 4038600 CPU: 12764.8, 0.00321038/step Wall: 12764.8, 0.00321038/step, 0.857351 hours remaining, 237.984375 MB of memory in use. ENERGY: 4038600 3985.6106 20699.8571 14518.3808 236.7142 -202613.1381 1959.4516 0.0000 0.0000 52047.2432 -109165.8805 299.1162 -161213.1237 -108803.5473 299.8595 15.6920 34.8527 760844.9222 -5.1129 -5.2188 PRESSURE: 4038800 -82.21 -165.367 1.19566 -165.367 -220.165 -214.071 1.19554 -214.072 -193.165 GPRESSURE: 4038800 -57.8903 -90.1621 -6.62969 -143.222 -204.569 -240.08 -77.1724 -128.112 -131.215 PRESSAVG: 4038800 -68.974 2.84817 38.5378 2.84816 44.7414 37.4802 38.5379 37.4802 11.5023 GPRESSAVG: 4038800 -68.769 6.54123 40.0626 -0.581814 43.965 38.1519 36.4771 37.4044 11.9334 TIMING: 4038800 CPU: 12765.4, 0.00320196/step Wall: 12765.4, 0.00320196/step, 0.854923 hours remaining, 237.984375 MB of memory in use. ENERGY: 4038800 4024.7235 20632.5392 14566.9456 262.6934 -203456.9750 2694.4716 0.0000 0.0000 52084.0214 -109191.5804 299.3276 -161275.6018 -108828.5536 300.2111 -165.1800 -131.2249 760792.2037 -4.2434 -4.2902 PRESSURE: 4039000 -223.166 156.421 244.012 156.42 28.3504 28.7891 244.012 28.7892 132.908 GPRESSURE: 4039000 -237.161 109.941 222.047 185.761 128.387 -38.2611 140.631 -8.36768 145.995 PRESSAVG: 4039000 24.535 -32.439 12.6613 -32.439 -19.8514 -5.66364 12.6613 -5.66357 14.2431 GPRESSAVG: 4039000 24.5708 -36.6793 10.9953 -28.4533 -18.9703 -6.71806 12.791 -4.7477 13.3109 TIMING: 4039000 CPU: 12766, 0.00317682/step Wall: 12766, 0.00317682/step, 0.848033 hours remaining, 237.984375 MB of memory in use. ENERGY: 4039000 3939.8034 20607.8929 14523.2601 245.5212 -203390.1157 2470.0977 0.0000 0.0000 52484.7119 -109118.8286 301.6304 -161603.5405 -108750.3870 300.1557 -20.6357 12.4070 761283.4277 6.3089 6.3038 PRESSURE: 4039200 292.906 -190.673 -121.929 -190.673 -93.5754 -183.026 -121.93 -183.027 -46.9187 GPRESSURE: 4039200 286.964 -216.896 -83.4303 -237.873 -57.8158 -181.222 -15.2427 -174.694 19.6955 PRESSAVG: 4039200 35.3997 -37.5463 46.9063 -37.5463 12.2587 6.23589 46.9063 6.23601 6.95596 GPRESSAVG: 4039200 33.9312 -36.7369 46.8455 -39.8729 12.6406 6.44872 49.6785 8.21667 7.87388 TIMING: 4039200 CPU: 12766.7, 0.00319925/step Wall: 12766.7, 0.00319925/step, 0.853845 hours remaining, 237.984375 MB of memory in use. ENERGY: 4039200 3969.4381 20635.7238 14499.3257 266.2373 -203211.2000 2384.8809 0.0000 0.0000 52291.2999 -109164.2944 300.5188 -161455.5943 -108803.3864 300.5718 50.8040 82.9479 760069.8079 18.2048 18.1486 PRESSURE: 4039400 -312.544 -71.228 -181.501 -71.2284 49.7639 -48.3509 -181.501 -48.3507 -72.5831 GPRESSURE: 4039400 -242.934 -90.9482 -138.976 -51.1762 41.8649 -56.7614 -129.252 37.2711 -49.2819 PRESSAVG: 4039400 -42.5615 -53.6042 30.4901 -53.6042 12.7495 -16.2593 30.4902 -16.2593 16.0458 GPRESSAVG: 4039400 -40.3967 -53.2643 30.8653 -52.4579 12.1358 -15.9998 28.5514 -17.8827 15.0114 TIMING: 4039400 CPU: 12767.3, 0.00320069/step Wall: 12767.3, 0.00320069/step, 0.85405 hours remaining, 237.984375 MB of memory in use. ENERGY: 4039400 4031.3169 20612.8492 14474.1638 242.5830 -202887.0320 2139.4857 0.0000 0.0000 52217.5411 -109169.0923 300.0949 -161386.6334 -108799.1973 300.2061 -111.7876 -83.4502 762061.2272 -4.5888 -4.4165 PRESSURE: 4039600 -319.254 115.941 90.6797 115.941 -8.12199 80.602 90.6797 80.6019 -241.745 GPRESSURE: 4039600 -281.128 146.293 24.872 -29.564 105.883 70.2413 -41.8226 117.663 -299.224 PRESSAVG: 4039600 -22.0346 -43.0055 -17.5602 -43.0056 47.3397 -0.280913 -17.5602 -0.280907 4.85746 GPRESSAVG: 4039600 -23.7891 -45.1639 -17.1126 -45.4663 48.1185 -0.689281 -17.575 1.13519 5.79739 TIMING: 4039600 CPU: 12767.9, 0.00320609/step Wall: 12767.9, 0.00320609/step, 0.855313 hours remaining, 237.984375 MB of memory in use. ENERGY: 4039600 4008.7679 20473.6257 14472.6479 228.4633 -203362.3179 2608.8351 0.0000 0.0000 52171.8270 -109398.1510 299.8322 -161569.9780 -109036.3186 300.0925 -189.7070 -158.1564 761476.4280 10.0542 10.0423 PRESSURE: 4039800 -118.097 78.3352 140.56 78.335 85.3391 -106.646 140.56 -106.646 -99.276 GPRESSURE: 4039800 -147.495 155.495 135.82 62.6337 194.174 -207.801 119.214 -303.888 -77.0458 PRESSAVG: 4039800 9.04683 -26.5711 8.4309 -26.5711 12.7189 11.6761 8.43085 11.676 -36.2601 GPRESSAVG: 4039800 9.55335 -25.9501 9.78947 -25.9743 13.5791 12.2882 7.84649 9.37644 -36.8032 TIMING: 4039800 CPU: 12768.6, 0.00321135/step Wall: 12768.6, 0.00321135/step, 0.85654 hours remaining, 237.984375 MB of memory in use. ENERGY: 4039800 3999.5983 20335.2554 14490.8878 252.6003 -203632.9889 2648.6098 0.0000 0.0000 52505.2909 -109400.7464 301.7486 -161906.0373 -109029.0744 299.8136 -44.0113 -10.1223 760155.3501 -4.8314 -4.5569 PRESSURE: 4040000 72.92 -20.1273 -55.1355 -20.1276 55.9088 -48.2267 -55.136 -48.227 244.96 GPRESSURE: 4040000 47.4813 23.967 26.4289 42.66 136.098 -60.6039 -121.212 -15.6684 257.689 PRESSAVG: 4040000 57.5438 -9.25584 42.3126 -9.25582 -40.2222 6.21203 42.3125 6.21203 -19.6412 GPRESSAVG: 4040000 58.1783 -7.68084 41.212 -8.20549 -39.9814 5.73146 41.9552 8.10484 -20.4255 TIMING: 4040000 CPU: 12769.2, 0.00321119/step Wall: 12769.2, 0.00321119/step, 0.856317 hours remaining, 237.984375 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: 4040000 3955.3852 20760.5505 14497.8638 237.0474 -203419.6513 2484.4569 0.0000 0.0000 52102.1214 -109382.2262 299.4316 -161484.3476 -109022.7461 299.9253 124.5962 147.0894 758251.6654 -0.7732 -0.7429 PRESSURE: 4040200 -182.439 -8.15663 -32.8225 -8.157 -3.97773 114.699 -32.8234 114.702 -157.355 GPRESSURE: 4040200 -63.1523 84.6095 -46.2111 98.3904 -123.456 73.2846 181.182 82.6014 -80.4609 PRESSAVG: 4040200 -39.6714 6.89798 -2.90112 6.89789 20.9964 27.9299 -2.90109 27.9299 4.03768 GPRESSAVG: 4040200 -39.9726 6.07861 -3.10349 6.43772 19.5225 26.2493 -1.30335 28.0292 6.09463 TIMING: 4040200 CPU: 12769.9, 0.00317419/step Wall: 12769.9, 0.00317419/step, 0.846274 hours remaining, 237.984375 MB of memory in use. ENERGY: 4040200 4033.7362 20712.8479 14458.7934 227.9862 -203465.4094 2640.1929 0.0000 0.0000 52205.3174 -109186.5354 300.0247 -161391.8528 -108819.4582 299.9532 -114.5906 -89.0229 761233.4279 -4.8791 -4.7852 LDB: ============= START OF LOAD BALANCING ============== 12782.4 LDB: ============== END OF LOAD BALANCING =============== 12782.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12782.4 LDB: ============= START OF LOAD BALANCING ============== 12782.7 LDB: Largest compute 7031 load 0.030755 is 15.7% of average load 0.195593 LDB: Average compute 0.004400 is 2.2% of average load 0.195593 LDB: TIME 12782.7 LOAD: AVG 0.195593 MAX 0.21578 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.277 MB LDB: TIME 12782.7 LOAD: AVG 0.195593 MAX 0.21578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 12782.7 LOAD: AVG 0.195593 MAX 0.21578 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 12782.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12782.7 PRESSURE: 4040400 -35.0749 124.2 -118.352 124.2 12.1769 236.673 -118.352 236.674 -341.045 GPRESSURE: 4040400 29.9092 6.79225 -72.3482 45.2381 13.3512 246.416 -81.2533 222.852 -310.812 PRESSAVG: 4040400 -25.1459 30.7973 -20.351 30.7974 58.9295 34.9511 -20.3509 34.951 23.271 GPRESSAVG: 4040400 -25.1266 31.2915 -21.2454 29.105 59.6989 36.0263 -21.8283 33.7593 22.4256 TIMING: 4040400 CPU: 12770.5, 0.00328655/step Wall: 12770.5, 0.00328655/step, 0.876049 hours remaining, 235.652344 MB of memory in use. ENERGY: 4040400 4003.0048 20513.8403 14489.2507 259.2459 -203410.6869 2639.5212 0.0000 0.0000 52316.7691 -109189.0549 300.6652 -161505.8239 -108824.5855 299.9879 -121.3142 -89.1838 760961.4628 19.0182 18.9993 PRESSURE: 4040600 94.5356 -128.95 -136.19 -128.951 308.296 -49.5022 -136.191 -49.5031 10.1244 GPRESSURE: 4040600 228.145 -113.897 -203.537 7.57765 292.201 -71.57 -208.138 93.0456 -18.2527 PRESSAVG: 4040600 -85.4568 -18.6376 -17.8238 -18.6377 23.6532 59.3469 -17.8238 59.3469 -9.10665 GPRESSAVG: 4040600 -83.7973 -19.0697 -18.109 -16.788 22.3634 59.3511 -17.0186 60.9168 -9.29222 TIMING: 4040600 CPU: 12771.2, 0.00322853/step Wall: 12771.2, 0.00322853/step, 0.860403 hours remaining, 235.855469 MB of memory in use. ENERGY: 4040600 4013.5073 20544.9334 14490.6545 238.6037 -203363.0324 2682.9085 0.0000 0.0000 52330.6449 -109061.7802 300.7449 -161392.4250 -108694.8643 300.0203 137.6521 167.3645 761030.1553 -23.6368 -23.5754 PRESSURE: 4040800 10.1101 -265.653 0.546678 -265.653 -106.636 137.853 0.546476 137.853 -22.3414 GPRESSURE: 4040800 -50.6231 -279.46 0.93318 -231.659 -48.7816 162.182 40.9113 33.0318 52.8214 PRESSAVG: 4040800 -48.0535 -47.9135 -21.2818 -47.9135 53.2168 -9.66177 -21.2818 -9.66175 15.4811 GPRESSAVG: 4040800 -50.4485 -46.2653 -21.5979 -47.8753 54.0075 -10.6563 -20.4802 -10.183 16.4086 TIMING: 4040800 CPU: 12771.8, 0.00321305/step Wall: 12771.8, 0.00321305/step, 0.856099 hours remaining, 235.855469 MB of memory in use. ENERGY: 4040800 3985.5263 20444.2477 14522.7133 260.5059 -203063.8425 2433.0320 0.0000 0.0000 52367.1605 -109050.6568 300.9548 -161417.8173 -108677.1823 300.1789 -39.6225 -15.5277 760570.5180 6.8815 6.6559 PRESSURE: 4041000 35.4708 -17.9769 83.9847 -17.9774 -10.2448 85.5751 83.9843 85.575 153.274 GPRESSURE: 4041000 130.88 -41.1823 14.9978 27.7662 -26.915 72.6143 152.115 133.649 160.45 PRESSAVG: 4041000 -34.7227 -5.14289 -29.9746 -5.14286 43.114 6.17501 -29.9745 6.17507 -26.496 GPRESSAVG: 4041000 -34.4534 -6.76132 -29.3633 -6.7042 43.8607 7.09138 -29.1585 3.57184 -27.0091 TIMING: 4041000 CPU: 12772.5, 0.00320057/step Wall: 12772.5, 0.00320057/step, 0.852597 hours remaining, 235.855469 MB of memory in use. ENERGY: 4041000 3938.8334 20521.0279 14402.8143 251.0862 -203019.2494 2332.0496 0.0000 0.0000 52474.6372 -109098.8007 301.5725 -161573.4378 -108728.4008 300.4998 59.5000 88.1381 760175.0162 -6.0349 -5.8673 PRESSURE: 4041200 -33.643 -216.683 39.2818 -216.684 357.983 80.0005 39.2818 79.9991 168.581 GPRESSURE: 4041200 99.9627 -300.186 -71.9337 -195.489 308.217 132.29 194.949 64.0586 173.246 PRESSAVG: 4041200 -20.4936 -39.504 44.2762 -39.504 11.0632 22.3618 44.2762 22.3618 -0.0840676 GPRESSAVG: 4041200 -19.143 -38.638 44.859 -38.8546 10.178 22.0935 43.3068 25.0857 -0.356718 TIMING: 4041200 CPU: 12773.1, 0.00318057/step Wall: 12773.1, 0.00318057/step, 0.847092 hours remaining, 235.855469 MB of memory in use. ENERGY: 4041200 3947.5494 20647.1904 14490.8448 243.3438 -203523.1910 2660.4380 0.0000 0.0000 52379.4190 -109154.4056 301.0252 -161533.8245 -108787.9923 300.3296 164.3071 193.8087 760219.2421 -3.1715 -3.1072 PRESSURE: 4041400 237.915 231.312 226.694 231.312 -117.365 -136.479 226.694 -136.478 -284.324 GPRESSURE: 4041400 195.115 113.511 261.705 221.628 -82.8546 -26.7039 277.174 -100.796 -209.894 PRESSAVG: 4041400 -28.5279 -10.9161 -16.9423 -10.9161 26.3277 -3.09676 -16.9422 -3.09672 11.446 GPRESSAVG: 4041400 -28.5763 -12.2333 -16.4286 -10.7712 26.8848 -2.16651 -17.3921 -4.99367 11.1408 TIMING: 4041400 CPU: 12773.7, 0.00320287/step Wall: 12773.7, 0.00320287/step, 0.852853 hours remaining, 235.855469 MB of memory in use. ENERGY: 4041400 3936.6448 20601.9440 14540.6439 254.6824 -203154.9862 2441.9691 0.0000 0.0000 52139.3313 -109239.7707 299.6455 -161379.1020 -108871.8176 299.9183 -54.5913 -32.5445 760882.9623 3.0819 3.1498 PRESSURE: 4041600 -44.6665 -12.2864 -90.7997 -12.2872 -192.83 -123.345 -90.7996 -123.345 -185.841 GPRESSURE: 4041600 -66.2127 -95.9197 -93.1087 -19.5146 -109.242 -112.863 -85.5152 -252.381 -164.753 PRESSAVG: 4041600 12.3309 -43.4123 5.16194 -43.4122 21.6698 24.9061 5.16198 24.906 -6.9181 GPRESSAVG: 4041600 11.7528 -42.3519 5.21163 -44.0432 21.3358 25.0163 4.96112 26.3166 -6.89564 TIMING: 4041600 CPU: 12774.4, 0.00322639/step Wall: 12774.4, 0.00322639/step, 0.858936 hours remaining, 235.855469 MB of memory in use. ENERGY: 4041600 4001.4067 20594.7437 14541.6216 246.5849 -203185.6461 2484.3630 0.0000 0.0000 52067.6231 -109249.3030 299.2333 -161316.9261 -108880.5000 299.6768 -141.1128 -113.4026 760987.5514 9.0275 8.7310 PRESSURE: 4041800 -187.438 -66.4453 24.4549 -66.4456 -267.847 59.7068 24.4542 59.7074 144.756 GPRESSURE: 4041800 -176.236 -48.5786 -28.9462 13.5575 -269.594 72.1312 78.2336 31.7094 228.784 PRESSAVG: 4041800 -16.8498 -31.6251 -8.81998 -31.6251 4.18058 16.9843 -8.81995 16.9843 -1.32395 GPRESSAVG: 4041800 -16.6715 -31.4953 -8.74978 -29.5562 3.28203 17.2081 -10.0683 15.6352 -0.555328 TIMING: 4041800 CPU: 12775, 0.00322408/step Wall: 12775, 0.00322408/step, 0.858143 hours remaining, 235.855469 MB of memory in use. ENERGY: 4041800 4022.5115 20712.0413 14453.3601 242.1111 -203336.1310 2507.6453 0.0000 0.0000 52026.0587 -109372.4029 298.9945 -161398.4616 -109012.3141 299.3515 -103.5095 -72.3489 761633.2944 -4.6644 -4.6483 PRESSURE: 4042000 211.998 -113.886 35.9506 -113.886 33.7604 65.8523 35.9512 65.852 21.6159 GPRESSURE: 4042000 206.056 -199.388 24.6441 -149.23 83.1145 35.5231 119.467 -23.9571 56.7287 PRESSAVG: 4042000 -1.95514 -9.25165 -13.5611 -9.25158 17.5695 17.3853 -13.5611 17.3853 -5.12134 GPRESSAVG: 4042000 -3.91015 -8.88234 -14.5319 -9.99889 18.1761 17.139 -11.3844 18.7071 -4.19789 TIMING: 4042000 CPU: 12775.7, 0.00320476/step Wall: 12775.7, 0.00320476/step, 0.852823 hours remaining, 235.855469 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: 4042000 4038.7193 20801.2819 14488.1710 248.0402 -203841.9643 2868.4550 0.0000 0.0000 51864.1953 -109533.1016 298.0642 -161397.2969 -109174.1270 299.8524 89.1248 115.2998 761027.5158 3.4977 3.3560 PRESSURE: 4042200 46.3733 37.3833 206.188 37.383 -193.585 -48.3009 206.188 -48.3015 -391.036 GPRESSURE: 4042200 39.9827 -78.6356 161.793 83.2111 -99.6221 -187.302 224.825 34.9673 -399.361 PRESSAVG: 4042200 31.315 -4.3458 19.8314 -4.34579 -26.5676 6.20719 19.8313 6.20727 21.5099 GPRESSAVG: 4042200 34.4479 -8.21543 19.661 -3.51696 -28.012 4.57344 19.5891 5.36703 19.9313 TIMING: 4042200 CPU: 12776.3, 0.00320559/step Wall: 12776.3, 0.00320559/step, 0.852864 hours remaining, 235.855469 MB of memory in use. ENERGY: 4042200 4048.7253 20631.8698 14499.8762 241.6189 -203648.2961 2658.3852 0.0000 0.0000 52068.8173 -109499.0034 299.2402 -161567.8207 -109128.3116 299.0869 -179.4160 -153.0000 759366.4195 8.7524 8.7891 PRESSURE: 4042400 -41.5072 29.2594 -102.445 29.26 -327.208 87.55 -102.445 87.5504 -81.9787 GPRESSURE: 4042400 -13.8399 12.3463 -32.5732 92.1837 -302.228 142.612 -245.038 8.02454 -56.2661 PRESSAVG: 4042400 -1.27672 -19.2538 56.7309 -19.2539 -32.3252 12.629 56.7309 12.629 -9.7022 GPRESSAVG: 4042400 -3.39902 -17.4177 58.0498 -21.3386 -31.1075 14.4252 56.8538 15.0344 -8.76256 TIMING: 4042400 CPU: 12776.9, 0.00318891/step Wall: 12776.9, 0.00318891/step, 0.84825 hours remaining, 235.855469 MB of memory in use. ENERGY: 4042400 3972.2938 20711.7716 14465.3101 246.0131 -203604.5013 2471.0520 0.0000 0.0000 52176.2903 -109561.7704 299.8579 -161738.0607 -109204.3718 299.0109 -150.2313 -124.1113 760814.4428 -14.4347 -14.4230 PRESSURE: 4042600 336.191 60.2922 136.109 60.2922 -35.504 -112.77 136.11 -112.768 367.76 GPRESSURE: 4042600 376.2 97.6379 128.76 -7.46136 -25.6375 -130.324 155.196 -115.96 409.273 PRESSAVG: 4042600 40.5193 -25.4129 -8.06977 -25.4129 -51.4712 5.74028 -8.06984 5.74032 3.64783 GPRESSAVG: 4042600 40.2334 -24.1457 -9.88397 -24.613 -51.7531 6.20776 -9.23437 4.42695 3.53952 TIMING: 4042600 CPU: 12777.6, 0.00318402/step Wall: 12777.6, 0.00318402/step, 0.846771 hours remaining, 235.855469 MB of memory in use. ENERGY: 4042600 3940.1651 20614.8864 14444.9414 231.6623 -203578.6566 2776.6051 0.0000 0.0000 51829.0714 -109741.3249 297.8624 -161570.3963 -109382.8582 298.7400 222.8158 253.2786 761521.5104 -2.4347 -2.6600 PRESSURE: 4042800 222.916 -1.46072 167.401 -1.46129 -113.435 -13.889 167.402 -13.8879 -35.6254 GPRESSURE: 4042800 302.484 -116.322 236.21 -20.0318 -151.21 -6.94464 80.7996 79.9611 28.5305 PRESSAVG: 4042800 -6.857 -16.2387 31.0408 -16.2387 19.7645 5.57057 31.0408 5.57057 3.19772 GPRESSAVG: 4042800 -6.33542 -16.7008 31.8204 -13.6421 18.8026 7.95065 29.8573 3.02186 3.97372 TIMING: 4042800 CPU: 12778.2, 0.0032006/step Wall: 12778.2, 0.0032006/step, 0.851003 hours remaining, 235.855469 MB of memory in use. ENERGY: 4042800 3974.5815 20587.7846 14468.1919 245.3745 -203495.3703 2584.6127 0.0000 0.0000 52077.7127 -109557.1123 299.2913 -161634.8250 -109194.6820 298.5260 24.6185 59.9348 762070.5167 5.3684 5.4803 PRESSURE: 4043000 197.782 -45.1812 -19.1894 -45.1812 -16.9565 10.8167 -19.1896 10.8171 -275.584 GPRESSURE: 4043000 186.311 -6.12617 11.0153 -81.9865 -7.28888 50.0351 14.6213 30.4552 -199.33 PRESSAVG: 4043000 34.5414 16.9972 -11.1987 16.9972 -12.4735 -2.86672 -11.1987 -2.86672 8.6511 GPRESSAVG: 4043000 33.665 18.5834 -12.479 14.2696 -11.3049 -3.31646 -9.97197 -0.412452 7.47615 TIMING: 4043000 CPU: 12778.9, 0.00318482/step Wall: 12778.9, 0.00318482/step, 0.846632 hours remaining, 235.855469 MB of memory in use. ENERGY: 4043000 3911.1955 20424.8957 14474.7319 235.4898 -203432.4842 2564.9595 0.0000 0.0000 52102.1524 -109719.0595 299.4318 -161821.2119 -109347.9352 298.7852 -31.5862 -6.7693 762064.5982 10.2397 9.9454 PRESSURE: 4043200 -69.6927 -54.6574 62.605 -54.6568 -44.7722 -65.2412 62.6054 -65.2419 89.0956 GPRESSURE: 4043200 -29.565 45.1099 -3.17623 -64.8543 -72.7934 -3.52598 54.4098 -183.173 141.997 PRESSAVG: 4043200 5.87268 0.731035 -6.42426 0.731076 -3.80222 16.7995 -6.42432 16.7995 -10.894 GPRESSAVG: 4043200 6.28615 0.0216575 -5.67541 0.551708 -4.27345 13.0027 -6.30743 18.0265 -10.768 TIMING: 4043200 CPU: 12779.5, 0.00317507/step Wall: 12779.5, 0.00317507/step, 0.843862 hours remaining, 235.855469 MB of memory in use. ENERGY: 4043200 3916.5542 20510.9549 14465.5599 243.2651 -203725.5561 2860.0086 0.0000 0.0000 51929.6994 -109799.5140 298.4407 -161729.2134 -109443.6395 298.4259 -8.4564 13.2129 761109.5528 -2.9412 -2.9184 PRESSURE: 4043400 -236.621 -158.881 -45.4912 -158.881 -453.555 84.2868 -45.491 84.287 -26.2215 GPRESSURE: 4043400 -194.13 -88.5672 -73.9154 -163.872 -336.49 62.501 -11.4011 -30.3294 -74.6834 PRESSAVG: 4043400 -0.170765 30.479 60.8701 30.479 -75.4672 -39.2066 60.8701 -39.2065 25.9032 GPRESSAVG: 4043400 -0.409897 29.8833 61.014 31.3126 -75.4998 -37.6027 61.0589 -41.1009 25.8734 TIMING: 4043400 CPU: 12780.1, 0.0032179/step Wall: 12780.1, 0.0032179/step, 0.855068 hours remaining, 235.855469 MB of memory in use. ENERGY: 4043400 4012.6615 20375.3783 14560.7123 249.0427 -203404.0429 2823.2417 0.0000 0.0000 51634.4114 -109748.5950 296.7437 -161383.0064 -109390.6071 298.4051 -238.7995 -201.7681 763549.4719 -16.5783 -16.6788 PRESSURE: 4043600 134.818 18.3309 -101.262 18.3305 148.471 -35.2815 -101.263 -35.2813 6.32905 GPRESSURE: 4043600 119.712 13.6495 -164.06 91.9369 196.667 -81.9511 -184.712 1.60766 54.7351 PRESSAVG: 4043600 -3.33992 45.2245 15.7784 45.2245 23.2721 -18.1162 15.7785 -18.1162 -2.04471 GPRESSAVG: 4043600 -4.53647 43.8321 14.6601 46.525 23.1114 -18.1083 16.51 -17.1959 -0.487847 TIMING: 4043600 CPU: 12780.8, 0.00318241/step Wall: 12780.8, 0.00318241/step, 0.84546 hours remaining, 235.855469 MB of memory in use. ENERGY: 4043600 3970.7917 20321.1135 14517.5646 245.2639 -203535.8075 2502.8436 0.0000 0.0000 52219.1342 -109759.0960 300.1041 -161978.2303 -109408.0804 298.4199 96.5391 123.7047 760988.8478 5.9625 6.0290 PRESSURE: 4043800 154.231 72.3125 130.509 72.3126 135.265 8.7678 130.51 8.7678 438.502 GPRESSURE: 4043800 262.479 84.096 176.116 15.6914 140.201 59.9447 136.968 39.5099 407.806 PRESSAVG: 4043800 90.2436 11.1074 17.2361 11.1074 -105.248 24.6101 17.2361 24.61 9.77655 GPRESSAVG: 4043800 93.0956 13.3637 17.1192 8.20491 -105.246 24.5685 17.7362 25.3506 6.83841 TIMING: 4043800 CPU: 12781.4, 0.00320153/step Wall: 12781.4, 0.00320153/step, 0.850362 hours remaining, 235.855469 MB of memory in use. ENERGY: 4043800 3943.8550 20382.2981 14544.5655 240.1542 -203985.7502 3020.2894 0.0000 0.0000 52027.6407 -109826.9473 299.0036 -161854.5880 -109462.9203 298.2857 242.6663 270.1621 758408.3850 -1.7425 -1.7706 PRESSURE: 4044000 -117.082 306.418 202.351 306.417 -80.4073 -23.5475 202.351 -23.5476 72.5494 GPRESSURE: 4044000 -80.6718 378.992 170.254 283.616 -18.0006 -13.107 112.172 49.6096 40.2194 PRESSAVG: 4044000 45.1867 52.5534 0.476976 52.5533 -34.7906 -66.8773 0.477001 -66.8774 -4.07244 GPRESSAVG: 4044000 42.3006 52.0107 1.8391 53.8866 -34.0975 -66.563 -2.50433 -67.9079 -1.77439 TIMING: 4044000 CPU: 12782, 0.00318683/step Wall: 12782, 0.00318683/step, 0.846282 hours remaining, 235.855469 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: 4044000 3908.8473 20374.1336 14491.6638 250.2478 -203493.1249 2582.1480 0.0000 0.0000 51755.1382 -110130.9461 297.4375 -161886.0843 -109759.2423 298.0757 -41.6465 -19.4843 760054.0997 2.1079 2.1429 PRESSURE: 4044200 -185.111 -21.7005 -92.6376 -21.7005 -30.0087 76.5701 -92.6372 76.5703 163.389 GPRESSURE: 4044200 -88.6306 111.299 -66.5751 29.4776 10.1368 100.713 -72.5959 -85.3313 69.1588 PRESSAVG: 4044200 -45.2849 -16.7116 -14.232 -16.7117 31.435 -25.8301 -14.232 -25.8301 27.2163 GPRESSAVG: 4044200 -43.5343 -16.7112 -15.2989 -14.0987 32.0254 -25.1901 -12.5457 -24.4721 25.587 TIMING: 4044200 CPU: 12782.7, 0.00320597/step Wall: 12782.7, 0.00320597/step, 0.851184 hours remaining, 235.855469 MB of memory in use. ENERGY: 4044200 4018.6102 20468.1894 14442.7997 231.5312 -203744.0778 2837.7248 0.0000 0.0000 51788.1163 -109957.1062 297.6270 -161745.2225 -109597.1385 297.4583 -17.2437 -3.1116 760560.1411 4.4555 4.6927 LDB: ============= START OF LOAD BALANCING ============== 12795.2 LDB: ============== END OF LOAD BALANCING =============== 12795.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12795.2 LDB: ============= START OF LOAD BALANCING ============== 12795.5 LDB: Largest compute 7077 load 0.032697 is 16.7% of average load 0.195658 LDB: Average compute 0.004391 is 2.2% of average load 0.195658 LDB: TIME 12795.5 LOAD: AVG 0.195658 MAX 0.214013 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.586 MB LDB: TIME 12795.5 LOAD: AVG 0.195658 MAX 0.214013 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.586 MB LDB: TIME 12795.5 LOAD: AVG 0.195658 MAX 0.214013 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.586 MB LDB: ============== END OF LOAD BALANCING =============== 12795.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12795.6 PRESSURE: 4044400 -14.8729 57.2248 -160.25 57.2246 -189.761 -92.112 -160.249 -92.1127 268.773 GPRESSURE: 4044400 -3.32742 19.91 -160.536 1.34744 -117.082 -162.368 -143.706 -176.622 257.093 PRESSAVG: 4044400 30.9886 45.5621 44.8001 45.5621 -10.3537 -24.275 44.8001 -24.2749 14.6709 GPRESSAVG: 4044400 30.3814 45.5524 45.3529 42.9986 -11.0707 -26.1397 45.5554 -23.2818 15.8732 TIMING: 4044400 CPU: 12783.3, 0.00325787/step Wall: 12783.3, 0.00325787/step, 0.864783 hours remaining, 236.937500 MB of memory in use. ENERGY: 4044400 3955.8932 20553.4766 14495.0935 248.1292 -203696.7912 2773.9724 0.0000 0.0000 51724.5784 -109945.6479 297.2619 -161670.2262 -109577.5532 298.2564 21.3797 45.5612 760653.6059 11.7686 11.7279 PRESSURE: 4044600 -37.473 151.775 270.652 151.775 225.403 4.91728 270.653 4.91668 327.769 GPRESSURE: 4044600 -5.22865 186.141 204.201 84.9194 285.576 -16.2812 137.643 -38.4588 297.357 PRESSAVG: 4044600 26.4322 4.64216 42.4515 4.64216 -53.0794 -43.8503 42.4515 -43.8504 -11.0446 GPRESSAVG: 4044600 26.5427 7.16412 41.7054 6.54429 -53.4052 -42.1176 41.5691 -46.3409 -10.9909 TIMING: 4044600 CPU: 12784, 0.00319198/step Wall: 12784, 0.00319198/step, 0.847117 hours remaining, 237.195312 MB of memory in use. ENERGY: 4044600 3962.7366 20350.0905 14501.1699 254.5828 -203808.3058 2749.2407 0.0000 0.0000 52040.4633 -109950.0220 299.0773 -161990.4852 -109586.4218 297.8514 171.8997 192.5679 761453.3949 -12.5639 -12.6178 PRESSURE: 4044800 -229.727 -38.6476 -102.848 -38.6471 5.313 84.1433 -102.848 84.1433 234.936 GPRESSURE: 4044800 -120.24 -55.4078 -85.8433 -45.1171 6.94025 94.1346 -50.1233 59.7504 225.426 PRESSAVG: 4044800 8.18958 8.94568 66.5704 8.94556 -14.1987 -11.5229 66.5704 -11.523 -9.21482 GPRESSAVG: 4044800 8.71155 8.60653 65.5463 7.26975 -13.3004 -10.7991 67.2165 -10.6904 -10.2723 TIMING: 4044800 CPU: 12784.6, 0.00319112/step Wall: 12784.6, 0.00319112/step, 0.84671 hours remaining, 237.195312 MB of memory in use. ENERGY: 4044800 3958.6539 20503.4082 14465.4060 259.0808 -203710.0022 2731.8436 0.0000 0.0000 51917.3123 -109874.2974 298.3695 -161791.6097 -109515.7037 298.1068 3.5074 37.3755 760493.4066 -5.0747 -4.9537 PRESSURE: 4045000 195.409 -14.7293 11.8739 -14.7291 -24.255 125.204 11.8739 125.205 -92.2823 GPRESSURE: 4045000 181.416 56.0817 -22.7042 -86.011 -5.73263 174.656 72.2264 221.56 -25.0938 PRESSAVG: 4045000 -9.95758 -35.5146 -22.3831 -35.5146 27.5974 2.46896 -22.383 2.469 14.2821 GPRESSAVG: 4045000 -9.98823 -37.5274 -21.3626 -35.6905 26.7145 1.35647 -23.8265 4.64818 14.816 TIMING: 4045000 CPU: 12785.3, 0.00319549/step Wall: 12785.3, 0.00319549/step, 0.847693 hours remaining, 237.207031 MB of memory in use. ENERGY: 4045000 4001.2269 20598.9930 14476.2428 273.8130 -203859.0443 2660.4465 0.0000 0.0000 52077.2284 -109771.0937 299.2885 -161848.3220 -109408.6057 298.5104 26.2905 50.1965 760538.5313 10.6406 10.5141 PRESSURE: 4045200 438.722 -156.854 -160.687 -156.853 22.0806 33.8351 -160.687 33.8353 344.948 GPRESSURE: 4045200 426.771 -7.10477 -194.093 -179.14 126.21 36.6747 -6.73451 53.6601 323.542 PRESSAVG: 4045200 -23.215 -23.1985 34.1663 -23.1986 -3.13682 19.4655 34.1662 19.4655 -2.80963 GPRESSAVG: 4045200 -22.9467 -23.8641 34.2873 -22.7722 -3.38263 19.1991 34.5903 17.1778 -3.05836 TIMING: 4045200 CPU: 12785.9, 0.00320878/step Wall: 12785.9, 0.00320878/step, 0.851041 hours remaining, 237.207031 MB of memory in use. ENERGY: 4045200 4016.0641 20536.7556 14498.0109 248.3862 -203985.6419 3039.0332 0.0000 0.0000 51767.2912 -109880.1008 297.5073 -161647.3920 -109513.2289 298.9565 268.5836 292.1741 760770.6048 -9.7205 -9.7959 PRESSURE: 4045400 -103.14 89.9552 -197.905 89.9544 -26.881 93.388 -197.905 93.3877 21.6698 GPRESSURE: 4045400 -89.8338 193.802 -132.946 86.4815 84.0652 29.74 -130.009 -5.09251 -10.2789 PRESSAVG: 4045400 -15.8048 5.90095 43.2673 5.90094 35.4924 32.1131 43.2673 32.113 -8.37817 GPRESSAVG: 4045400 -17.4684 7.24838 43.4885 4.68134 37.6741 31.6221 45.2995 33.0979 -8.24971 TIMING: 4045400 CPU: 12786.5, 0.0032014/step Wall: 12786.5, 0.0032014/step, 0.848904 hours remaining, 237.207031 MB of memory in use. ENERGY: 4045400 3956.1929 20362.6247 14475.2553 242.8483 -203936.4293 2862.5290 0.0000 0.0000 52033.8248 -110003.1543 299.0391 -162036.9790 -109646.2753 298.2672 -36.1170 -5.3492 760692.5189 3.7698 3.9853 PRESSURE: 4045600 346.081 -133.299 173.594 -133.3 -213.619 -7.31519 173.593 -7.3154 -77.4603 GPRESSURE: 4045600 326.064 -155.179 206.8 -309.817 -109.447 34.937 195.34 59.7193 -61.5817 PRESSAVG: 4045600 14.6591 -26.6185 12.7253 -26.6186 35.1085 28.1807 12.7253 28.1807 9.58434 GPRESSAVG: 4045600 15.9031 -26.2091 12.0783 -27.8193 33.2856 28.1262 11.467 27.9651 10.5621 TIMING: 4045600 CPU: 12787.2, 0.00319023/step Wall: 12787.2, 0.00319023/step, 0.845766 hours remaining, 237.398438 MB of memory in use. ENERGY: 4045600 3971.8592 20506.2878 14523.0706 248.3554 -203781.1063 2678.7329 0.0000 0.0000 51985.8713 -109866.9291 298.7635 -161852.8004 -109508.5315 298.9383 18.3338 51.6784 759927.5504 19.7840 19.9169 PRESSURE: 4045800 -142.437 -35.2931 31.368 -35.2928 -346.114 45.2666 31.3682 45.2683 -210.903 GPRESSURE: 4045800 -214.691 -71.2546 116.165 -32.0795 -236.362 24.7968 12.8103 -38.3695 -165.101 PRESSAVG: 4045800 -31.7388 0.120181 34.8636 0.120196 -15.0338 13.8326 34.8636 13.8326 24.064 GPRESSAVG: 4045800 -31.1222 -0.786708 35.6884 1.8363 -14.6911 14.7616 35.0152 12.3356 23.1055 TIMING: 4045800 CPU: 12787.8, 0.00319105/step Wall: 12787.8, 0.00319105/step, 0.845805 hours remaining, 237.410156 MB of memory in use. ENERGY: 4045800 4026.1933 20553.3484 14434.6792 238.8565 -203122.1889 2232.2819 0.0000 0.0000 51729.4527 -109907.3769 297.2899 -161636.8295 -109547.7514 298.5354 -233.1513 -205.3846 761255.6765 -7.5695 -7.5693 PRESSURE: 4046000 -67.9805 87.9728 213.15 87.9722 -20.2791 250.382 213.151 250.381 97.4417 GPRESSURE: 4046000 -5.45463 88.2825 223.402 136.178 -17.491 200.314 144.211 263.754 117.409 PRESSAVG: 4046000 38.9487 0.74767 -49.1131 0.747706 -38.6849 4.16444 -49.1131 4.16436 5.2526 GPRESSAVG: 4046000 39.9961 1.26345 -50.1262 0.849628 -38.8397 3.56868 -49.4675 4.58011 4.62525 TIMING: 4046000 CPU: 12788.5, 0.00322321/step Wall: 12788.5, 0.00322321/step, 0.85415 hours remaining, 237.410156 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: 4046000 4016.7952 20244.8624 14527.6582 232.2999 -203427.2888 2577.0885 0.0000 0.0000 51890.4688 -109938.1159 298.2152 -161828.5846 -109580.2234 298.0618 3.0607 31.4877 761299.6593 1.8388 1.9272 PRESSURE: 4046200 -240.733 173.996 121.718 173.996 -168.206 -65.3667 121.718 -65.3671 -190.526 GPRESSURE: 4046200 -229.673 181.007 22.2895 116.004 -45.9843 -81.4609 196.569 -111.85 -250.341 PRESSAVG: 4046200 -16.9441 -31.6146 -25.045 -31.6147 -14.4788 14.2022 -25.0449 14.2022 -10.5221 GPRESSAVG: 4046200 -17.2525 -32.3994 -24.7057 -33.6088 -13.6423 15.7187 -23.4384 14.0342 -10.5301 TIMING: 4046200 CPU: 12789.1, 0.00323539/step Wall: 12789.1, 0.00323539/step, 0.8572 hours remaining, 237.480469 MB of memory in use. ENERGY: 4046200 4011.8819 20482.2975 14534.1095 246.4989 -203690.2201 2514.1704 0.0000 0.0000 51799.7578 -110101.5041 297.6939 -161901.2619 -109744.2966 297.4573 -199.8218 -175.3328 761303.5699 -13.9817 -13.8083 PRESSURE: 4046400 351.885 7.22127 -72.4104 7.22113 20.5782 34.1184 -72.4098 34.1169 -414.63 GPRESSURE: 4046400 351.493 70.9118 17.3348 -93.313 29.3018 -18.5293 -85.1167 105.384 -341.314 PRESSAVG: 4046400 -30.3664 20.4824 -29.4965 20.4824 3.84884 -27.4279 -29.4964 -27.4279 4.46036 GPRESSAVG: 4046400 -30.9079 21.2544 -27.8827 20.91 3.26264 -29.3865 -30.0725 -24.4352 5.4663 TIMING: 4046400 CPU: 12789.7, 0.00322231/step Wall: 12789.7, 0.00322231/step, 0.853554 hours remaining, 237.480469 MB of memory in use. ENERGY: 4046400 4017.3690 20406.6003 14453.4983 240.2564 -203665.2132 2640.3648 0.0000 0.0000 51810.0455 -110097.0789 297.7530 -161907.1244 -109746.9685 297.6811 -14.0557 13.1604 761152.8429 -7.3524 -7.3930 PRESSURE: 4046600 -547.208 -64.543 -37.216 -64.5427 53.7651 90.7545 -37.2161 90.7539 -126.432 GPRESSURE: 4046600 -527.609 -126.101 -51.9334 74.4459 46.8274 70.4146 -107.072 -58.996 -55.2279 PRESSAVG: 4046600 23.7514 0.565789 -26.9679 0.565757 25.4868 14.1308 -26.9679 14.1308 1.66382 GPRESSAVG: 4046600 23.6162 -0.370783 -28.8705 1.71008 24.6664 14.1221 -27.3153 12.0502 2.85188 TIMING: 4046600 CPU: 12790.4, 0.00319499/step Wall: 12790.4, 0.00319499/step, 0.846139 hours remaining, 237.480469 MB of memory in use. ENERGY: 4046600 4003.0273 20351.9038 14435.8970 237.4152 -203490.9153 2779.8989 0.0000 0.0000 51405.6261 -110277.1470 295.4288 -161682.7731 -109914.1701 297.4066 -206.6251 -178.6699 763299.5597 16.9673 17.0448 PRESSURE: 4046800 35.5693 -13.8726 -105.048 -13.872 -119.084 -22.6762 -105.048 -22.6751 176.098 GPRESSURE: 4046800 42.8903 -124.577 -183.585 116.759 -141.556 -65.1956 -63.7256 -82.4922 279.305 PRESSAVG: 4046800 -33.9973 1.49902 13.1764 1.499 15.858 32.5208 13.1763 32.5208 23.017 GPRESSAVG: 4046800 -33.3533 2.3888 14.5093 1.11688 16.3447 32.0219 12.6281 31.7254 22.2698 TIMING: 4046800 CPU: 12791, 0.00323818/step Wall: 12791, 0.00323818/step, 0.857399 hours remaining, 237.480469 MB of memory in use. ENERGY: 4046800 3887.5318 20514.3276 14454.2261 256.5291 -203656.6193 2716.5477 0.0000 0.0000 51872.3826 -109955.0744 298.1113 -161827.4570 -109597.1128 297.7017 30.8610 60.2129 762756.1395 1.6259 1.7537 PRESSURE: 4047000 116.828 35.7083 -73.9301 35.7079 -92.5637 167.1 -73.9311 167.101 -247.299 GPRESSURE: 4047000 65.6679 -5.65378 -117.019 149.228 -33.3811 200.604 9.63356 76.9366 -165.074 PRESSAVG: 4047000 8.05051 -14.2215 -28.1635 -14.2215 51.0893 34.1617 -28.1636 34.1617 -12.0151 GPRESSAVG: 4047000 8.17978 -16.9786 -29.219 -12.5196 50.5382 36.2801 -25.1017 34.0777 -11.9025 TIMING: 4047000 CPU: 12791.7, 0.00323593/step Wall: 12791.7, 0.00323593/step, 0.856623 hours remaining, 237.480469 MB of memory in use. ENERGY: 4047000 4025.2303 20446.7953 14455.0779 247.0456 -203511.6469 2649.6966 0.0000 0.0000 51712.6763 -109975.1249 297.1935 -161687.8012 -109616.8587 298.1994 -74.3450 -44.2623 762241.3626 15.7082 15.6052 PRESSURE: 4047200 -201.739 -45.1875 63.9625 -45.188 -62.6679 -38.3661 63.9629 -38.3674 453.572 GPRESSURE: 4047200 -125.797 -54.4739 71.1058 -159.349 -20.311 14.7616 49.9686 -31.2604 414.7 PRESSAVG: 4047200 -12.9709 43.8418 -15.8138 43.8418 -1.66448 14.3502 -15.8138 14.3502 -12.6144 GPRESSAVG: 4047200 -12.8315 47.1879 -16.1358 40.3131 -0.987557 16.3904 -17.6855 15.9839 -13.3896 TIMING: 4047200 CPU: 12792.3, 0.00321017/step Wall: 12792.3, 0.00321017/step, 0.849624 hours remaining, 237.480469 MB of memory in use. ENERGY: 4047200 3995.3085 20503.9633 14442.3863 248.5502 -203483.0194 2623.6992 0.0000 0.0000 51938.8502 -109730.2618 298.4933 -161669.1120 -109363.2223 297.9405 63.0551 89.5305 762791.9048 -9.0833 -9.0695 PRESSURE: 4047400 -12.9756 47.3132 9.68268 47.3141 170.585 -23.926 9.68295 -23.9267 -348.588 GPRESSURE: 4047400 28.4808 -64.6484 70.5786 21.2746 178.07 -67.9454 75.5105 -126.095 -327.607 PRESSAVG: 4047400 -10.3806 -58.399 -39.4235 -58.399 22.2065 15.8584 -39.4235 15.8584 10.1789 GPRESSAVG: 4047400 -10.1852 -60.5536 -38.2165 -57.3899 21.3914 14.6034 -40.2703 16.2792 10.7963 TIMING: 4047400 CPU: 12793, 0.00319467/step Wall: 12793, 0.00319467/step, 0.845346 hours remaining, 237.480469 MB of memory in use. ENERGY: 4047400 4092.5156 20661.8366 14441.9468 220.6728 -203279.4144 2406.3445 0.0000 0.0000 51923.8115 -109532.2866 298.4069 -161456.0982 -109167.2862 298.6111 -63.6593 -40.3522 761971.7672 7.3349 7.3342 PRESSURE: 4047600 -42.0092 46.0912 107.644 46.0903 -143.743 308.741 107.644 308.741 -493.268 GPRESSURE: 4047600 -25.2031 149.385 138.782 143.413 -92.3249 315.002 70.8423 369.972 -479.197 PRESSAVG: 4047600 39.4076 -23.1364 -17.2666 -23.1363 -29.6925 -1.29433 -17.2666 -1.2943 -11.7159 GPRESSAVG: 4047600 40.059 -21.6889 -17.3608 -23.3076 -28.7327 -2.01578 -17.0495 -1.76583 -13.1884 TIMING: 4047600 CPU: 12793.6, 0.00318836/step Wall: 12793.6, 0.00318836/step, 0.843497 hours remaining, 237.480469 MB of memory in use. ENERGY: 4047600 3949.6293 20651.8897 14470.9866 270.4876 -203663.5618 2630.0717 0.0000 0.0000 52291.9236 -109398.5732 300.5224 -161690.4968 -109035.7814 300.1458 -226.3402 -198.9084 761904.3598 -0.6669 -0.6207 PRESSURE: 4047800 305.276 -97.1091 99.6968 -97.109 72.8791 -134.275 99.6965 -134.274 185.793 GPRESSURE: 4047800 339.895 -77.1623 22.6693 -200.187 112.617 -65.4663 24.6521 -205.599 210.1 PRESSAVG: 4047800 -11.6073 -46.6633 0.249446 -46.6632 19.7208 -50.6846 0.249426 -50.6846 23.1908 GPRESSAVG: 4047800 -11.9177 -46.0001 -0.101042 -45.9046 19.7444 -50.7164 -0.0450699 -51.8004 23.8923 TIMING: 4047800 CPU: 12794.2, 0.00318995/step Wall: 12794.2, 0.00318995/step, 0.843742 hours remaining, 237.480469 MB of memory in use. ENERGY: 4047800 4025.3451 20538.3050 14546.9633 267.3610 -203700.0220 2724.1034 0.0000 0.0000 52291.0780 -109306.8662 300.5175 -161597.9442 -108946.7545 299.7844 187.9826 220.8709 761291.8693 10.4348 10.5730 PRESSURE: 4048000 289.118 -68.1673 131.388 -68.1675 59.7494 99.1483 131.388 99.1493 -17.5659 GPRESSURE: 4048000 311.266 -97.9877 182.946 -194.989 116.816 110.474 92.0084 62.7056 10.3812 PRESSAVG: 4048000 11.6403 -57.3358 9.23968 -57.3359 32.6439 -27.4207 9.23967 -27.4207 -18.9751 GPRESSAVG: 4048000 11.0329 -58.7284 7.79648 -56.2439 33.4331 -27.7474 10.2785 -26.8936 -18.8093 TIMING: 4048000 CPU: 12794.9, 0.00317865/step Wall: 12794.9, 0.00317865/step, 0.840576 hours remaining, 237.480469 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: 4048000 4026.7525 20564.0617 14524.3140 249.5249 -203508.3222 2756.2999 0.0000 0.0000 52091.6124 -109295.7568 299.3712 -161387.3691 -108928.9160 299.8727 110.4337 146.1545 761738.8175 8.4364 8.5523 PRESSURE: 4048200 -227.779 -170.48 65.3714 -170.48 -38.7498 -86.6487 65.371 -86.6489 324.322 GPRESSURE: 4048200 -135.425 -133.378 9.85332 -237.973 110.215 -108.846 29.8818 -49.0592 159.138 PRESSAVG: 4048200 5.28897 18.8919 -18.3822 18.8919 -21.2366 18.1984 -18.3823 18.1984 -8.71501 GPRESSAVG: 4048200 4.77469 18.7841 -16.6173 18.3751 -21.6263 17.9808 -19.7532 18.0255 -7.76916 TIMING: 4048200 CPU: 12795.5, 0.00320119/step Wall: 12795.5, 0.00320119/step, 0.846358 hours remaining, 237.480469 MB of memory in use. ENERGY: 4048200 3999.2253 20528.4839 14429.7379 249.3162 -203824.4355 3100.6108 0.0000 0.0000 52085.2163 -109431.8452 299.3345 -161517.0615 -109073.1854 299.1385 19.2646 44.6427 761640.1809 -8.2209 -8.2069 LDB: ============= START OF LOAD BALANCING ============== 12808.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12808.1 LDB: =============== DONE WITH MIGRATION ================ 12808.1 LDB: ============= START OF LOAD BALANCING ============== 12808.4 LDB: Largest compute 7076 load 0.033319 is 17.0% of average load 0.195607 LDB: Average compute 0.004399 is 2.2% of average load 0.195607 LDB: TIME 12808.4 LOAD: AVG 0.195607 MAX 0.213888 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 12808.4 LOAD: AVG 0.195607 MAX 0.213888 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: TIME 12808.4 LOAD: AVG 0.195607 MAX 0.213888 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: ============== END OF LOAD BALANCING =============== 12808.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12808.4 PRESSURE: 4048400 5.43829 129.23 26.6426 129.229 -51.363 -130.528 26.6427 -130.527 481.013 GPRESSURE: 4048400 76.0467 113.365 122.197 51.4026 -62.6573 -80.5195 146.932 -216.325 489.053 PRESSAVG: 4048400 -10.4264 -9.06655 -9.89303 -9.06659 13.0105 -27.4811 -9.89303 -27.481 -11.7133 GPRESSAVG: 4048400 -9.50034 -10.2356 -9.48332 -9.08477 12.9696 -28.0096 -8.62542 -25.632 -12.6408 TIMING: 4048400 CPU: 12796.2, 0.00326977/step Wall: 12796.2, 0.00326977/step, 0.86431 hours remaining, 235.886719 MB of memory in use. ENERGY: 4048400 4002.3157 20504.3710 14390.8411 247.1887 -203387.5577 2713.9028 0.0000 0.0000 52076.9348 -109452.0036 299.2869 -161528.9385 -109089.6004 299.5667 145.0294 167.4807 761350.6202 -3.0431 -3.0572 PRESSURE: 4048600 -157.265 109.628 -20.067 109.628 211.87 59.2071 -20.0665 59.2071 57.7037 GPRESSURE: 4048600 16.0415 151.778 -106.414 -46.0093 247.922 46.6493 122.112 -81.1835 -35.0115 PRESSAVG: 4048600 56.7783 -31.5582 71.1424 -31.5582 -55.1025 -26.5615 71.1425 -26.5615 2.48714 GPRESSAVG: 4048600 56.0158 -28.1254 69.7433 -33.1037 -55.3021 -25.8073 72.1799 -28.6412 3.82893 TIMING: 4048600 CPU: 12796.8, 0.00317405/step Wall: 12796.8, 0.00317405/step, 0.838832 hours remaining, 236.089844 MB of memory in use. ENERGY: 4048600 4006.5033 20584.3202 14458.7183 235.7091 -203569.6433 2701.0099 0.0000 0.0000 52143.2866 -109440.0960 299.6682 -161583.3825 -109081.1039 299.1475 37.4364 76.3172 760685.7718 1.3876 1.5142 PRESSURE: 4048800 143.469 -105.749 -63.3263 -105.749 102.273 236.481 -63.3265 236.483 342.979 GPRESSURE: 4048800 217.526 -229.46 -45.6971 -163.545 49.4845 253.867 -127.601 317.287 398.168 PRESSAVG: 4048800 17.3526 -6.2924 22.5984 -6.29242 -21.9598 -16.9721 22.5984 -16.9721 12.5827 GPRESSAVG: 4048800 17.352 -9.47495 23.9137 -4.51206 -21.618 -17.7212 20.8199 -17.1934 12.0811 TIMING: 4048800 CPU: 12797.4, 0.00315887/step Wall: 12797.4, 0.00315887/step, 0.834643 hours remaining, 236.089844 MB of memory in use. ENERGY: 4048800 4033.6619 20630.9895 14471.3498 232.1472 -203663.0633 2695.6642 0.0000 0.0000 52192.9894 -109406.2613 299.9538 -161599.2506 -109035.6177 299.9740 196.2403 221.7262 759977.4256 2.6585 2.6050 PRESSURE: 4049000 116.345 234.355 -34.2396 234.355 -289.262 -57.8344 -34.2402 -57.8346 -23.5188 GPRESSURE: 4049000 64.9268 200.388 -117.128 320.312 -101.459 23.1402 52.7939 -35.8443 -54.1836 PRESSAVG: 4049000 -4.73018 -59.3296 21.1635 -59.3296 -19.0704 -17.4262 21.1636 -17.4263 -6.04753 GPRESSAVG: 4049000 -4.32979 -57.9979 21.2052 -59.215 -19.8816 -16.6172 21.8044 -16.6519 -6.22307 TIMING: 4049000 CPU: 12798.1, 0.00319516/step Wall: 12798.1, 0.00319516/step, 0.844054 hours remaining, 236.089844 MB of memory in use. ENERGY: 4049000 4053.0391 20486.5154 14499.3192 237.2760 -203550.0928 2763.1455 0.0000 0.0000 52201.2402 -109309.5573 300.0012 -161510.7975 -108947.5831 299.8370 -65.4788 -30.2384 761011.7439 -9.9494 -10.1448 PRESSURE: 4049200 -276.144 -110.876 -138.336 -110.876 -185.396 99.9734 -138.336 99.9734 -103.874 GPRESSURE: 4049200 -181.482 -141.129 -92.5807 -169.746 -209.244 96.441 -195.141 36.5204 -93.1129 PRESSAVG: 4049200 -19.6008 -37.5259 -8.39536 -37.5259 8.53047 -20.5304 -8.39536 -20.5304 2.7383 GPRESSAVG: 4049200 -20.3983 -36.5565 -8.53687 -39.8539 9.11927 -19.8158 -8.70331 -21.7959 2.91305 TIMING: 4049200 CPU: 12798.7, 0.00320153/step Wall: 12798.7, 0.00320153/step, 0.845559 hours remaining, 236.089844 MB of memory in use. ENERGY: 4049200 3976.5071 20658.2198 14414.3269 236.6000 -203351.3912 2652.1636 0.0000 0.0000 52119.9408 -109293.6330 299.5340 -161413.5738 -108936.9779 299.7244 -188.4714 -161.2795 762426.7365 -2.7773 -2.7886 PRESSURE: 4049400 275.152 157.019 22.2536 157.019 57.0974 -68.0269 22.2537 -68.0273 -29.9188 GPRESSURE: 4049400 294.191 136.473 -9.88812 205.466 122.201 -0.322431 113.666 -87.5708 -37.2035 PRESSAVG: 4049400 51.6727 -27.8684 -30.9201 -27.8684 -42.5671 -5.25149 -30.9201 -5.25155 -2.8696 GPRESSAVG: 4049400 50.8986 -28.7189 -30.9022 -27.9216 -40.9476 -6.01828 -28.9125 -3.08281 -3.77793 TIMING: 4049400 CPU: 12799.3, 0.00316361/step Wall: 12799.3, 0.00316361/step, 0.835368 hours remaining, 236.089844 MB of memory in use. ENERGY: 4049400 4011.9089 20583.3460 14412.4412 261.1462 -204257.9397 3309.8318 0.0000 0.0000 52476.1323 -109203.1334 301.5811 -161679.2656 -108826.1173 300.1919 100.7769 126.3960 759850.6688 2.0787 2.0577 PRESSURE: 4049600 -250.845 -21.5519 52.1969 -21.5519 -62.7906 -154.643 52.1972 -154.643 113.034 GPRESSURE: 4049600 -173.47 -80.9724 46.5829 -22.5767 -135.639 -166.041 -60.6705 -153.745 166.666 PRESSAVG: 4049600 39.5128 25.5382 -15.8164 25.5382 -4.31338 -45.6155 -15.8164 -45.6155 6.4907 GPRESSAVG: 4049600 41.2347 24.8419 -16.1599 27.1367 -6.9544 -45.1618 -17.6222 -45.2807 7.32075 TIMING: 4049600 CPU: 12800, 0.00317891/step Wall: 12800, 0.00317891/step, 0.839232 hours remaining, 236.089844 MB of memory in use. ENERGY: 4049600 4025.2444 20558.6735 14481.3841 249.8311 -202978.6663 2197.6360 0.0000 0.0000 52095.0798 -109370.8174 299.3911 -161465.8973 -109007.3909 299.5119 -66.8670 -47.4808 760964.3351 13.8967 13.8670 PRESSURE: 4049800 -61.468 -24.0335 34.6916 -24.0333 -79.2577 -107.158 34.692 -107.157 -86.3338 GPRESSURE: 4049800 -1.41759 7.62444 23.6387 29.1456 11.7183 -95.7093 -65.1114 -85.5772 -168.134 PRESSAVG: 4049800 -30.22 -34.1547 -2.67217 -34.1547 -10.3563 -28.1619 -2.67218 -28.1618 22.6857 GPRESSAVG: 4049800 -31.3507 -32.2245 -3.10842 -36.5171 -8.79822 -27.4599 -0.441779 -29.3934 21.9405 TIMING: 4049800 CPU: 12800.6, 0.00318967/step Wall: 12800.6, 0.00318967/step, 0.841896 hours remaining, 236.089844 MB of memory in use. ENERGY: 4049800 3987.4072 20508.6729 14538.5495 245.8264 -203622.1429 2618.3109 0.0000 0.0000 52345.8064 -109377.5697 300.8321 -161723.3761 -109009.2485 299.5368 -75.6865 -52.6110 761989.3017 -5.9635 -6.0695 PRESSURE: 4050000 77.5515 -143.068 36.2231 -143.069 -174.452 77.8851 36.2237 77.8859 -147.947 GPRESSURE: 4050000 175.466 4.87737 -14.8773 -159.832 -140.838 114.578 -5.36654 -97.8205 -203.692 PRESSAVG: 4050000 15.1029 -17.4799 8.40292 -17.4799 1.78441 -23.656 8.40291 -23.6561 -7.36139 GPRESSAVG: 4050000 15.8918 -18.2966 9.65754 -17.9886 0.536375 -25.8789 4.77251 -22.304 -7.02328 TIMING: 4050000 CPU: 12801.3, 0.00316228/step Wall: 12801.3, 0.00316228/step, 0.834491 hours remaining, 236.089844 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: 4050000 3983.5629 20653.0042 14522.7996 245.0512 -203922.3099 2806.1779 0.0000 0.0000 52232.6217 -109479.0923 300.1816 -161711.7140 -109112.7590 299.1881 -81.6161 -56.3546 762098.3521 3.1753 3.1350 PRESSURE: 4050200 554.171 -156.541 -232.201 -156.541 -106.038 -69.9591 -232.201 -69.9597 653.18 GPRESSURE: 4050200 496.802 -160.702 -246.606 -176.687 42.8797 -101.359 -107.596 62.1026 656.583 PRESSAVG: 4050200 -11.2623 -14.7609 -56.2273 -14.7609 -25.8054 22.7174 -56.2273 22.7173 -17.9128 GPRESSAVG: 4050200 -12.5066 -15.4036 -56.8572 -12.1861 -24.7005 22.6985 -52.9636 23.1962 -17.4887 TIMING: 4050200 CPU: 12801.9, 0.00317979/step Wall: 12801.9, 0.00317979/step, 0.838935 hours remaining, 236.089844 MB of memory in use. ENERGY: 4050200 3976.4128 20598.2240 14467.9235 253.6132 -204002.8928 3094.3317 0.0000 0.0000 52240.9385 -109371.4491 300.2294 -161612.3876 -109016.1165 299.1688 367.1043 398.7547 759675.4101 -18.3268 -18.2319 PRESSURE: 4050400 322.586 -13.0662 -31.186 -13.0673 -133.574 123.329 -31.1855 123.329 -128.186 GPRESSURE: 4050400 375.168 -4.6934 -29.277 59.8268 -163.343 128.645 -203.529 86.665 -56.293 PRESSAVG: 4050400 -3.0832 -0.332156 -91.0068 -0.332132 -18.6509 38.3877 -91.0068 38.3877 1.19393 GPRESSAVG: 4050400 -2.74716 0.207198 -90.3271 -0.91333 -18.9924 39.0754 -92.4798 38.624 0.908851 TIMING: 4050400 CPU: 12802.5, 0.00318902/step Wall: 12802.5, 0.00318902/step, 0.841193 hours remaining, 236.089844 MB of memory in use. ENERGY: 4050400 3978.6493 20514.4921 14439.3898 239.5647 -203668.2217 2774.0810 0.0000 0.0000 52156.8400 -109565.2048 299.7461 -161722.0448 -109198.7017 299.1782 20.2756 51.8437 763527.0484 -6.8467 -6.9436 PRESSURE: 4050600 -40.7501 -54.1307 100.881 -54.1313 277.293 52.0647 100.881 52.065 -733.035 GPRESSURE: 4050600 -21.25 -40.2623 50.5082 -126.084 262.057 101.678 8.51344 9.5811 -668.202 PRESSAVG: 4050600 -10.7258 -11.7181 -14.5855 -11.7181 26.6927 11.1757 -14.5856 11.1757 -0.388464 GPRESSAVG: 4050600 -11.2974 -15.076 -15.6815 -11.7842 26.0249 11.776 -14.0012 7.23882 0.430768 TIMING: 4050600 CPU: 12803.2, 0.00316597/step Wall: 12803.2, 0.00316597/step, 0.834938 hours remaining, 236.089844 MB of memory in use. ENERGY: 4050600 4031.8698 20603.3955 14451.5333 259.0473 -203428.4263 2649.3997 0.0000 0.0000 52007.1192 -109426.0616 298.8856 -161433.1808 -109063.1861 299.3644 -165.4974 -142.4648 761899.8674 5.1928 5.0528 PRESSURE: 4050800 -275.757 25.6089 137.01 25.6097 -62.5534 -81.4613 137.011 -81.4617 172.594 GPRESSURE: 4050800 -323.99 -109.741 148.418 78.7465 52.0835 -211.443 51.9055 -9.9506 175.772 PRESSAVG: 4050800 71.9086 -36.2244 -22.4052 -36.2245 -25.249 20.1212 -22.4052 20.1212 -19.7551 GPRESSAVG: 4050800 73.4537 -34.4214 -22.2922 -38.4726 -25.7369 19.3897 -24.0196 21.1023 -21.2801 TIMING: 4050800 CPU: 12803.8, 0.003183/step Wall: 12803.8, 0.003183/step, 0.83925 hours remaining, 236.089844 MB of memory in use. ENERGY: 4050800 3947.0752 20652.7165 14481.9195 241.5817 -203518.9097 2452.8885 0.0000 0.0000 52155.6912 -109587.0372 299.7395 -161742.7283 -109226.6144 299.0466 -55.2388 -32.0447 761133.0509 8.9682 8.8122 PRESSURE: 4051000 193.923 -157.852 -151.992 -157.852 -282.015 -279.618 -151.992 -279.617 49.4576 GPRESSURE: 4051000 126.433 -80.3615 -73.8017 -136.903 -162.222 -346.158 -183.97 -147.084 80.7802 PRESSAVG: 4051000 52.1083 8.31612 -41.488 8.31617 -73.5518 -32.2921 -41.488 -32.2921 14.4277 GPRESSAVG: 4051000 52.5932 10.0548 -40.2902 8.54865 -73.1779 -33.2965 -41.4216 -33.8066 13.6121 TIMING: 4051000 CPU: 12804.4, 0.00317183/step Wall: 12804.4, 0.00317183/step, 0.83613 hours remaining, 236.089844 MB of memory in use. ENERGY: 4051000 4002.1224 20368.2478 14463.2572 257.4723 -203332.9736 2493.3624 0.0000 0.0000 52194.8661 -109553.6455 299.9646 -161748.5116 -109179.3985 299.3207 -12.8783 14.9970 760456.1569 -2.3386 -2.3242 PRESSURE: 4051200 -68.7439 -137.928 103.306 -137.926 -206.17 -147.908 103.308 -147.909 -184.215 GPRESSURE: 4051200 -48.9785 -99.3508 157.056 -2.18926 -193.979 -212.634 169.908 -51.0371 -121.209 PRESSAVG: 4051200 33.7731 20.4601 16.341 20.4601 -31.484 30.0013 16.3409 30.0013 31.4883 GPRESSAVG: 4051200 32.6961 20.0687 15.3736 21.9763 -31.5723 32.1436 19.5264 31.8051 32.7702 TIMING: 4051200 CPU: 12805.1, 0.00316817/step Wall: 12805.1, 0.00316817/step, 0.83499 hours remaining, 236.089844 MB of memory in use. ENERGY: 4051200 3949.9998 20637.9127 14454.9558 265.9034 -203408.3126 2361.8904 0.0000 0.0000 52312.3574 -109425.2931 300.6398 -161737.6505 -109060.7792 299.3793 -153.0431 -121.3887 761225.0861 11.2591 11.2980 PRESSURE: 4051400 -200.339 180.048 35.2871 180.048 -312.513 -112.201 35.2873 -112.202 -26.9705 GPRESSURE: 4051400 -124.768 100.311 101.864 125.805 -359.193 -31.0734 -27.6374 -170.112 33.9612 PRESSAVG: 4051400 33.3186 22.4917 22.1614 22.4917 -35.6772 53.061 22.1614 53.061 3.93994 GPRESSAVG: 4051400 33.8233 22.6103 22.773 21.9763 -36.4594 52.0286 21.9079 51.5874 3.67535 TIMING: 4051400 CPU: 12805.7, 0.00316028/step Wall: 12805.7, 0.00316028/step, 0.832733 hours remaining, 236.089844 MB of memory in use. ENERGY: 4051400 3964.3087 20637.9229 14486.7983 248.7852 -203261.4110 2142.9702 0.0000 0.0000 52195.8722 -109584.7534 299.9704 -161780.6256 -109226.6934 299.3042 -179.9409 -150.0000 760834.9812 0.5271 0.3464 PRESSURE: 4051600 -120.62 -348.1 -62.7473 -348.1 -16.3037 77.6166 -62.7479 77.6162 213.912 GPRESSURE: 4051600 14.9651 -354.784 -168.576 -305.564 -55.6782 -19.9922 -149.236 13.2106 200.458 PRESSAVG: 4051600 93.8332 -29.5676 2.27463 -29.5675 -28.5689 -5.46138 2.2747 -5.46139 4.73327 GPRESSAVG: 4051600 93.7121 -30.5264 2.19494 -28.1721 -27.3931 -5.39077 0.729661 -3.42633 3.94291 TIMING: 4051600 CPU: 12806.3, 0.0031606/step Wall: 12806.3, 0.0031606/step, 0.832642 hours remaining, 236.089844 MB of memory in use. ENERGY: 4051600 4102.4944 20523.3498 14470.8610 220.0616 -203722.4858 2773.0588 0.0000 0.0000 52200.4287 -109432.2315 299.9966 -161632.6602 -109067.9784 299.8559 25.6628 53.2483 760921.4850 23.3325 23.4206 PRESSURE: 4051800 -104.015 -32.3 42.841 -32.3009 24.2958 72.3393 42.8409 72.3386 279.449 GPRESSURE: 4051800 -180.595 -68.5239 132.706 -74.6344 152.018 106.225 34.5936 113.607 318.322 PRESSAVG: 4051800 37.3594 -32.6165 7.62795 -32.6166 -12.2521 -1.8469 7.62796 -1.84686 13.9137 GPRESSAVG: 4051800 37.0212 -32.7489 9.31255 -31.4263 -12.693 -1.85412 9.02504 -4.38234 15.0552 TIMING: 4051800 CPU: 12807, 0.00318417/step Wall: 12807, 0.00318417/step, 0.838674 hours remaining, 236.089844 MB of memory in use. ENERGY: 4051800 4006.3963 20664.8580 14532.5670 238.8535 -203647.1834 2591.2194 0.0000 0.0000 52051.5765 -109561.7127 299.1411 -161613.2891 -109207.3238 299.2645 66.5767 96.5815 758953.0210 13.0070 13.1278 PRESSURE: 4052000 -252.921 -24.5019 77.9645 -24.5014 -73.9052 -51.5949 77.964 -51.5949 -121.791 GPRESSURE: 4052000 -187.779 -115.469 123.897 86.7293 -91.7434 -77.254 18.1275 -10.1222 -102.276 PRESSAVG: 4052000 -13.4235 -29.2182 69.5439 -29.2181 -15.4896 37.32 69.5439 37.3199 24.2763 GPRESSAVG: 4052000 -13.5672 -29.134 69.0546 -31.2452 -13.5911 39.3441 67.588 39.5043 22.6583 TIMING: 4052000 CPU: 12807.6, 0.00316787/step Wall: 12807.6, 0.00316787/step, 0.834205 hours remaining, 236.089844 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: 4052000 3977.0345 20413.6368 14462.6191 231.1220 -203263.2598 2381.7286 0.0000 0.0000 52172.7289 -109624.3899 299.8374 -161797.1188 -109254.5077 299.2626 -149.5392 -127.2663 760442.7453 -1.5456 -1.5000 PRESSURE: 4052200 -169.169 130.978 -68.8299 130.978 -66.2054 -24.8157 -68.8289 -24.8159 184.892 GPRESSURE: 4052200 -59.1275 246.157 -142.72 35.5033 -102.996 6.97233 -115.032 -76.5247 187.823 PRESSAVG: 4052200 48.7983 11.9884 21.0125 11.9884 -2.15198 34.7052 21.0126 34.7052 5.18869 GPRESSAVG: 4052200 48.6655 14.1686 19.0714 11.5625 -2.38038 31.8601 21.068 35.6877 5.95056 TIMING: 4052200 CPU: 12808.2, 0.00317268/step Wall: 12808.2, 0.00317268/step, 0.835297 hours remaining, 236.089844 MB of memory in use. ENERGY: 4052200 4027.9827 20405.4083 14510.8006 243.0941 -203634.3999 2742.4978 0.0000 0.0000 52196.4786 -109508.1378 299.9739 -161704.6163 -109141.9606 299.3341 -16.8273 8.5664 761558.4502 17.2783 17.4119 LDB: ============= START OF LOAD BALANCING ============== 12820.8 LDB: ============== END OF LOAD BALANCING =============== 12820.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12820.8 LDB: ============= START OF LOAD BALANCING ============== 12821.1 LDB: Largest compute 7076 load 0.032307 is 16.5% of average load 0.195615 LDB: Average compute 0.004386 is 2.2% of average load 0.195615 LDB: TIME 12821.1 LOAD: AVG 0.195615 MAX 0.213243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.797 MB LDB: TIME 12821.1 LOAD: AVG 0.195615 MAX 0.213243 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: TIME 12821.1 LOAD: AVG 0.195615 MAX 0.213243 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.797 MB LDB: ============== END OF LOAD BALANCING =============== 12821.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12821.1 PRESSURE: 4052400 -72.3459 195.58 59.9919 195.581 15.3683 -165.195 59.9918 -165.195 -147.349 GPRESSURE: 4052400 -125.335 223.163 68.5772 240.906 56.6285 -89.7991 102.665 -57.4857 -68.654 PRESSAVG: 4052400 -23.1811 -3.92602 21.1521 -3.92608 83.7224 3.98703 21.1521 3.987 -6.24224 GPRESSAVG: 4052400 -22.6374 -5.58251 21.0589 -2.95654 82.9629 4.96273 22.4836 3.53252 -5.84217 TIMING: 4052400 CPU: 12808.9, 0.00322636/step Wall: 12808.9, 0.00322636/step, 0.849249 hours remaining, 238.335938 MB of memory in use. ENERGY: 4052400 3954.1785 20564.0420 14467.9482 246.4999 -203776.2915 2955.4053 0.0000 0.0000 52002.8896 -109585.3281 298.8613 -161588.2176 -109228.7098 299.3957 -68.1088 -45.7867 761398.2329 18.0997 18.1611 PRESSURE: 4052600 195.704 -45.775 104.428 -45.7756 449.084 -56.9572 104.427 -56.9571 179.933 GPRESSURE: 4052600 225.595 -26.6973 179.25 -57.9818 429.149 -101.846 -2.63122 14.7519 254.49 PRESSAVG: 4052600 18.7836 -30.0926 -25.4772 -30.0925 -23.2755 -10.0161 -25.4773 -10.016 22.7851 GPRESSAVG: 4052600 18.4585 -29.5753 -23.643 -30.4584 -23.4312 -8.83781 -27.5385 -8.90758 23.153 TIMING: 4052600 CPU: 12809.5, 0.0031826/step Wall: 12809.5, 0.0031826/step, 0.837554 hours remaining, 238.402344 MB of memory in use. ENERGY: 4052600 3914.6736 20551.1191 14496.0753 224.7631 -203298.0813 2501.4438 0.0000 0.0000 51996.4937 -109613.5126 298.8246 -161610.0063 -109252.4500 298.7905 274.9071 303.0779 760384.8050 6.0977 6.0601 PRESSURE: 4052800 -338.114 -155.558 86.9516 -155.558 -427.611 50.9614 86.9514 50.9615 -33.1517 GPRESSURE: 4052800 -372.226 -173.228 69.6138 -128.005 -298.908 74.4763 133.189 44.4331 -64.7779 PRESSAVG: 4052800 2.79224 -11.649 29.9579 -11.6489 -22.3944 26.5832 29.9579 26.5831 -9.59414 GPRESSAVG: 4052800 3.02676 -11.9704 29.3087 -11.7139 -22.1378 24.1802 30.492 26.196 -10.5543 TIMING: 4052800 CPU: 12810.2, 0.00318249/step Wall: 12810.2, 0.00318249/step, 0.837347 hours remaining, 238.402344 MB of memory in use. ENERGY: 4052800 3961.7274 20412.7473 14524.7321 239.1938 -203208.8950 2448.3648 0.0000 0.0000 52087.9101 -109534.2196 299.3499 -161622.1297 -109159.8490 298.8267 -266.2925 -245.3039 762175.3117 -9.7321 -9.8885 PRESSURE: 4053000 -274.731 294.02 71.0724 294.02 44.2739 0.0677634 71.0724 0.0686774 -603.985 GPRESSURE: 4053000 -243.769 217.123 170.398 270.772 -0.641766 -9.31406 75.7663 -10.7934 -531.773 PRESSAVG: 4053000 -13.1901 -73.0476 6.20355 -73.0475 3.86783 13.4965 6.20353 13.4965 37.223 GPRESSAVG: 4053000 -14.1166 -74.3979 5.24085 -72.2354 4.38753 13.0068 8.00351 12.7634 37.8404 TIMING: 4053000 CPU: 12810.8, 0.00319593/step Wall: 12810.8, 0.00319593/step, 0.840706 hours remaining, 238.402344 MB of memory in use. ENERGY: 4053000 3999.0549 20510.5681 14465.0441 245.7553 -203165.1768 2450.6098 0.0000 0.0000 51999.8975 -109494.2472 298.8441 -161494.1447 -109140.7725 299.1239 -278.1473 -258.7279 762214.4070 9.3003 9.3704 PRESSURE: 4053200 -149.41 -149.564 13.1577 -149.564 -533.369 245.564 13.1579 245.565 -246.019 GPRESSURE: 4053200 -61.2361 -194.662 49.2464 -142.478 -599.929 206.628 -70.516 315.785 -181.475 PRESSAVG: 4053200 38.4971 -93.074 7.62318 -93.074 -4.28077 63.8858 7.62325 63.8858 -5.02348 GPRESSAVG: 4053200 39.5081 -91.9513 8.49087 -95.4994 -5.5653 65.3533 5.35726 62.2059 -4.65836 TIMING: 4053200 CPU: 12811.4, 0.00319537/step Wall: 12811.4, 0.00319537/step, 0.840383 hours remaining, 238.402344 MB of memory in use. ENERGY: 4053200 4008.6505 20588.3130 14433.0680 252.5754 -202841.6024 2234.7487 0.0000 0.0000 52020.8647 -109303.3820 298.9646 -161324.2467 -108945.7059 299.6673 -309.5994 -280.8801 761187.5476 9.7309 9.7615 PRESSURE: 4053400 82.1626 311.889 42.8959 311.889 -450.264 52.7333 42.8962 52.7321 25.8566 GPRESSURE: 4053400 57.1405 316.375 -18.3513 372.558 -303.018 -34.3556 77.3441 46.1867 -7.59441 PRESSAVG: 4053400 51.2033 4.8581 -22.5998 4.85813 -37.5097 11.7839 -22.5997 11.7838 8.27974 GPRESSAVG: 4053400 50.3329 5.16236 -24.2047 6.83616 -36.0907 11.5704 -21.081 12.6488 7.46105 TIMING: 4053400 CPU: 12812.1, 0.00318086/step Wall: 12812.1, 0.00318086/step, 0.83639 hours remaining, 238.402344 MB of memory in use. ENERGY: 4053400 3958.8072 20594.5183 14445.3924 234.0618 -202981.3878 2227.4139 0.0000 0.0000 52116.0747 -109405.1193 299.5118 -161521.1940 -109043.1851 299.3855 -114.0815 -84.4908 761960.3386 7.3244 7.2344 PRESSURE: 4053600 -17.2468 -37.811 -59.8703 -37.8105 -86.0052 -139.044 -59.8701 -139.044 -63.4873 GPRESSURE: 4053600 64.4878 16.8255 -85.2637 -56.7285 -108.744 -23.6284 -52.699 -35.4143 -13.3514 PRESSAVG: 4053600 37.3997 -0.169779 -53.5911 -0.169813 -34.947 -10.4526 -53.5911 -10.4527 -4.4781 GPRESSAVG: 4053600 37.8888 -0.0584526 -52.1724 -1.60128 -34.2251 -10.1567 -54.0848 -9.6431 -5.80073 TIMING: 4053600 CPU: 12812.7, 0.00318401/step Wall: 12812.7, 0.00318401/step, 0.83704 hours remaining, 238.402344 MB of memory in use. ENERGY: 4053600 3915.2575 20382.1657 14469.2038 251.0202 -202895.4507 2382.8848 0.0000 0.0000 52126.7475 -109368.1712 299.5731 -161494.9187 -108994.1171 298.9366 -55.5798 -19.2026 762021.0897 -0.6751 -0.7123 PRESSURE: 4053800 -39.525 -94.2807 22.2209 -94.2804 -120.084 -84.0604 22.2211 -84.0607 10.3162 GPRESSURE: 4053800 -35.5594 62.9417 -9.11538 -26.8598 -81.528 -57.9371 -97.6287 -176.551 41.4027 PRESSAVG: 4053800 24.3202 -54.8605 52.3234 -54.8605 -1.00573 -58.9513 52.3234 -58.9513 -9.20127 GPRESSAVG: 4053800 23.5311 -55.4497 52.4345 -54.7108 -1.73849 -58.2842 51.7837 -57.276 -7.94188 TIMING: 4053800 CPU: 12813.3, 0.00320212/step Wall: 12813.3, 0.00320212/step, 0.841625 hours remaining, 238.402344 MB of memory in use. ENERGY: 4053800 3961.9769 20488.1002 14400.1946 249.7953 -203112.4353 2525.5897 0.0000 0.0000 51976.7748 -109510.0037 298.7112 -161486.7785 -109147.6699 299.3238 -49.7641 -25.2282 761871.4646 4.7044 4.6169 PRESSURE: 4054000 -153.136 93.564 170.166 93.5643 -168.504 -54.7683 170.166 -54.7692 111.611 GPRESSURE: 4054000 -69.9835 78.1655 108.6 137.562 -180.307 -26.6918 94.3054 -101.204 131.606 PRESSAVG: 4054000 15.9044 -24.0932 12.3743 -24.0932 -71.9604 -26.2844 12.3742 -26.2844 11.7255 GPRESSAVG: 4054000 15.4862 -23.8028 11.3772 -22.1083 -69.8828 -26.5491 13.0576 -28.9403 10.3444 TIMING: 4054000 CPU: 12814, 0.0032029/step Wall: 12814, 0.00320291/step, 0.841652 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: 4054000 4000.4883 20474.9731 14471.3215 246.4125 -203327.5867 2465.3910 0.0000 0.0000 52066.9198 -109602.0806 299.2293 -161669.0004 -109237.9052 299.2768 -70.0096 -39.5615 761435.1751 -14.7768 -14.6841 PRESSURE: 4054200 -310.857 131.554 -17.4118 131.554 -332.457 -96.4168 -17.4118 -96.4178 -249.123 GPRESSURE: 4054200 -331.131 164.344 -29.6697 83.6532 -184.858 -1.3343 -52.3149 7.77456 -287.633 PRESSAVG: 4054200 0.84176 -3.18276 35.9848 -3.18276 39.4713 -49.9911 35.9848 -49.9911 8.55606 GPRESSAVG: 4054200 0.665034 -3.50006 36.6353 -4.57212 38.5117 -49.649 37.7341 -48.5504 10.1594 TIMING: 4054200 CPU: 12814.6, 0.00320681/step Wall: 12814.6, 0.00320681/step, 0.842501 hours remaining, 238.402344 MB of memory in use. ENERGY: 4054200 3988.8398 20497.4377 14456.9232 243.7767 -203461.2821 2488.6224 0.0000 0.0000 52195.6330 -109590.0493 299.9690 -161785.6822 -109225.6851 298.7763 -297.4791 -267.8744 762171.0295 16.2897 16.4454 PRESSURE: 4054400 -362.185 -20.7332 -67.2879 -20.7337 -254.561 228.446 -67.2883 228.446 -322.881 GPRESSURE: 4054400 -266.343 -40.217 -76.1621 -37.9753 -314.598 259.29 -100.721 4.93353 -300.383 PRESSAVG: 4054400 -43.0567 -28.6176 -8.69616 -28.6176 61.5676 -65.9702 -8.69618 -65.9703 -8.50466 GPRESSAVG: 4054400 -42.299 -28.2976 -8.41089 -28.6426 61.8399 -65.4324 -9.27977 -65.7743 -9.69925 TIMING: 4054400 CPU: 12815.3, 0.003191/step Wall: 12815.3, 0.003191/step, 0.838171 hours remaining, 238.402344 MB of memory in use. ENERGY: 4054400 3914.9760 20594.9572 14501.6219 257.1273 -203235.0524 2340.8623 0.0000 0.0000 52212.6911 -109412.8167 300.0671 -161625.5078 -109041.8285 298.8641 -313.2092 -293.7744 763286.1115 3.3354 3.2805 PRESSURE: 4054600 -19.9638 -17.158 19.8453 -17.1574 16.8084 -39.3124 19.845 -39.3144 421.529 GPRESSURE: 4054600 0.0927486 -10.2697 -54.6085 -60.7629 54.8439 -55.199 -93.2468 42.4264 447.432 PRESSAVG: 4054600 -26.9085 -57.9285 -35.5443 -57.9285 43.2859 -43.8564 -35.5442 -43.8564 -11.9163 GPRESSAVG: 4054600 -26.8021 -56.9948 -35.9618 -58.2178 41.221 -44.424 -36.5441 -44.7411 -10.5023 TIMING: 4054600 CPU: 12815.9, 0.00317352/step Wall: 12815.9, 0.00317352/step, 0.833402 hours remaining, 238.402344 MB of memory in use. ENERGY: 4054600 3955.7016 20590.6930 14563.4361 236.4281 -203594.6681 2749.2339 0.0000 0.0000 52034.8218 -109464.3535 299.0448 -161499.1753 -109101.2874 299.4451 139.4580 167.4564 760599.2491 1.4871 1.3055 PRESSURE: 4054800 -94.8135 -55.7303 81.9634 -55.7307 -276.249 3.16484 81.9635 3.1659 20.7988 GPRESSURE: 4054800 -121.408 -113.217 121.724 -62.2999 -139.706 -98.5133 113.48 68.0868 -5.46297 PRESSAVG: 4054800 -17.0527 -44.4019 35.44 -44.4019 21.5414 -80.2542 35.44 -80.2541 5.69851 GPRESSAVG: 4054800 -18.0067 -46.8431 36.7768 -44.5043 23.1295 -80.8991 34.4544 -78.4171 5.01408 TIMING: 4054800 CPU: 12816.5, 0.00318463/step Wall: 12816.5, 0.00318463/step, 0.836141 hours remaining, 238.402344 MB of memory in use. ENERGY: 4054800 4010.2101 20532.6601 14463.1908 257.5531 -203235.7036 2571.5028 0.0000 0.0000 52004.1128 -109396.4738 298.8684 -161400.5866 -109048.8864 299.7702 -116.7546 -88.8589 761511.3015 3.3958 3.3789 PRESSURE: 4055000 -172.559 -15.4829 176.698 -15.4832 -40.6045 -345.693 176.699 -345.692 -465.462 GPRESSURE: 4055000 -110.086 -79.4447 239.745 -19.0536 13.3471 -285.998 130.902 -393.032 -500.071 PRESSAVG: 4055000 -49.7369 -10.9331 24.9233 -10.9331 7.89221 -64.1554 24.9233 -64.1553 9.869 GPRESSAVG: 4055000 -49.1172 -10.0113 25.1826 -11.2477 7.54462 -62.851 26.6193 -65.8013 9.57302 TIMING: 4055000 CPU: 12817.2, 0.00318125/step Wall: 12817.2, 0.00318125/step, 0.835079 hours remaining, 238.402344 MB of memory in use. ENERGY: 4055000 4000.3193 20430.0828 14447.1711 258.0126 -203640.3140 2695.7034 0.0000 0.0000 52396.3225 -109412.7021 301.1224 -161809.0247 -109041.7393 299.5719 -226.2082 -198.9366 761767.9366 -10.6586 -10.6665 PRESSURE: 4055200 236.637 -236.465 -133.456 -236.465 -2.47517 36.2597 -133.457 36.259 -2.19515 GPRESSURE: 4055200 229.702 -197.315 -17.0053 -176.821 11.0267 69.7974 -169.963 -3.01442 67.9552 PRESSAVG: 4055200 -10.3987 -29.9023 23.3969 -29.9022 45.4094 -48.192 23.397 -48.1919 -8.29992 GPRESSAVG: 4055200 -9.96407 -28.6158 23.8257 -27.3434 45.4486 -50.0798 22.9814 -48.1569 -9.01065 TIMING: 4055200 CPU: 12817.8, 0.00316997/step Wall: 12817.8, 0.00316996/step, 0.83194 hours remaining, 238.402344 MB of memory in use. ENERGY: 4055200 3969.2249 20533.2714 14403.6112 251.4291 -203436.0485 2802.6264 0.0000 0.0000 52071.7933 -109404.0920 299.2573 -161475.8854 -109034.2461 299.9676 77.3221 102.8947 762664.7186 8.9036 8.8246 PRESSURE: 4055400 -176.82 -72.9293 -148.474 -72.9294 -93.9033 133.486 -148.474 133.486 40.8995 GPRESSURE: 4055400 -151.215 -99.2067 -111.964 -165.828 -43.2376 120.832 -133.973 71.489 50.6976 PRESSAVG: 4055400 2.15896 -10.9019 40.1263 -10.9019 13.1367 58.1716 40.1262 58.1716 1.38117 GPRESSAVG: 4055400 1.20621 -10.788 39.5851 -13.3262 12.903 58.9379 40.5692 59.485 2.99429 TIMING: 4055400 CPU: 12818.4, 0.0031642/step Wall: 12818.4, 0.0031642/step, 0.830251 hours remaining, 238.402344 MB of memory in use. ENERGY: 4055400 4017.5447 20451.9559 14509.0789 277.5416 -203819.2118 2828.6863 0.0000 0.0000 52319.2682 -109415.1362 300.6796 -161734.4044 -109050.4528 299.5544 -76.6080 -47.9182 763471.5174 5.5589 5.7012 PRESSURE: 4055600 110.465 101.874 203.666 101.874 -315.057 -61.8531 203.667 -61.8512 -30.0326 GPRESSURE: 4055600 102.148 -6.82893 149.194 82.8638 -233.72 -5.11313 176.282 -69.4745 -23.1116 PRESSAVG: 4055600 -44.0141 -24.9129 -0.0334149 -24.9129 24.6931 17.588 -0.0334043 17.5879 -10.2791 GPRESSAVG: 4055600 -43.8695 -26.7801 -0.857266 -24.5653 25.1534 18.4315 -0.421797 17.0914 -10.729 TIMING: 4055600 CPU: 12819.1, 0.00317818/step Wall: 12819.1, 0.00317818/step, 0.833742 hours remaining, 238.402344 MB of memory in use. ENERGY: 4055600 4026.5443 20353.7364 14517.9296 254.6617 -203411.7381 2650.8353 0.0000 0.0000 52139.5146 -109468.5163 299.6465 -161608.0308 -109092.4869 299.1143 -78.2082 -51.5614 763161.4669 -9.8667 -9.8150 PRESSURE: 4055800 20.7984 17.747 30.2701 17.7468 118.48 175.447 30.2701 175.447 97.5192 GPRESSURE: 4055800 46.4452 70.298 22.6527 84.4051 164.44 266.249 133.815 72.9824 121.86 PRESSAVG: 4055800 4.46428 -26.5786 11.5529 -26.5786 10.1385 -49.3312 11.5529 -49.3313 -0.0110142 GPRESSAVG: 4055800 6.15749 -26.1802 11.3383 -25.5862 9.96133 -47.1359 11.6931 -50.5492 -1.24452 TIMING: 4055800 CPU: 12819.7, 0.00317513/step Wall: 12819.7, 0.00317513/step, 0.832765 hours remaining, 238.402344 MB of memory in use. ENERGY: 4055800 3981.9488 20426.5342 14412.5799 245.8688 -202862.4318 2363.8750 0.0000 0.0000 52116.6517 -109314.9734 299.5151 -161431.6251 -108956.4433 299.1725 78.9325 110.9150 762638.0414 4.8639 4.9581 PRESSURE: 4056000 -364.038 189.464 58.6537 189.465 -210.724 179.794 58.6531 179.794 -187.88 GPRESSURE: 4056000 -362.749 114.687 100.975 133.76 -125.556 190.054 78.1347 188.243 -176.62 PRESSAVG: 4056000 -56.6778 -23.6667 -13.6488 -23.6668 71.2749 6.94154 -13.6488 6.94153 13.3516 GPRESSAVG: 4056000 -58.3972 -22.6065 -13.4036 -24.1875 70.6959 4.93016 -13.9621 5.54768 14.7794 TIMING: 4056000 CPU: 12820.3, 0.00316123/step Wall: 12820.3, 0.00316123/step, 0.828944 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: 4056000 4024.8715 20404.8096 14431.8186 239.8691 -202861.0765 2077.9107 0.0000 0.0000 52099.4272 -109582.3697 299.4161 -161681.7969 -109225.5566 299.3294 -254.2140 -221.6417 761991.8224 9.3162 9.0260 PRESSURE: 4056200 -161.668 18.6881 9.02157 18.6877 75.3152 -249.769 9.02124 -249.768 192.693 GPRESSURE: 4056200 -59.0822 -11.0282 52.4362 -14.293 137.085 -181.628 -72.857 -164.479 117.298 PRESSAVG: 4056200 4.65917 0.26729 33.1213 0.267299 19.3052 42.2566 33.1213 42.2566 14.573 GPRESSAVG: 4056200 5.25581 -0.603138 32.616 -0.269759 19.7862 42.243 33.102 44.4577 13.4936 TIMING: 4056200 CPU: 12821, 0.00316866/step Wall: 12821, 0.00316866/step, 0.830716 hours remaining, 238.402344 MB of memory in use. ENERGY: 4056200 3944.6937 20456.8684 14448.6644 239.1815 -203405.2449 2790.0355 0.0000 0.0000 51991.1756 -109534.6259 298.7940 -161525.8015 -109163.1133 299.3836 35.4469 65.1002 761149.1732 12.8458 12.8452 LDB: ============= START OF LOAD BALANCING ============== 12833.5 LDB: ============== END OF LOAD BALANCING =============== 12833.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12833.5 LDB: ============= START OF LOAD BALANCING ============== 12833.8 LDB: Largest compute 7075 load 0.032782 is 16.8% of average load 0.195523 LDB: Average compute 0.004407 is 2.3% of average load 0.195523 LDB: TIME 12833.8 LOAD: AVG 0.195523 MAX 0.214502 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.531 MB LDB: TIME 12833.8 LOAD: AVG 0.195523 MAX 0.214502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: TIME 12833.8 LOAD: AVG 0.195523 MAX 0.214502 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: ============== END OF LOAD BALANCING =============== 12833.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12833.8 PRESSURE: 4056400 -60.438 234.122 -48.5036 234.123 -230.302 -138.066 -48.5034 -138.066 157.637 GPRESSURE: 4056400 -9.18058 256.072 -17.4106 217.14 -246.335 -164.822 -62.0576 -3.27091 208.376 PRESSAVG: 4056400 -31.665 -34.6876 13.0644 -34.6876 59.2554 33.41 13.0645 33.41 0.973458 GPRESSAVG: 4056400 -31.2739 -34.5086 12.8281 -35.2149 57.6787 33.7727 14.0688 34.143 1.72375 TIMING: 4056400 CPU: 12821.6, 0.003252/step Wall: 12821.6, 0.003252/step, 0.852385 hours remaining, 237.480469 MB of memory in use. ENERGY: 4056400 3928.6266 20477.0996 14570.8947 237.5580 -202967.6972 2524.7932 0.0000 0.0000 51754.1651 -109474.5600 297.4319 -161228.7251 -109107.0545 299.2393 -44.3676 -15.7133 761793.1500 9.5213 9.3762 PRESSURE: 4056600 -300.041 -118.01 -186.449 -118.01 -243.871 -43.6778 -186.448 -43.6773 -77.1726 GPRESSURE: 4056600 -205.634 -90.6653 -174.375 -58.2133 -217.282 -18.3693 -130.188 -54.9916 -119.696 PRESSAVG: 4056600 -1.23271 -57.6171 29.6315 -57.6171 15.8958 41.7476 29.6315 41.7475 30.0652 GPRESSAVG: 4056600 -0.846407 -56.7669 29.1592 -57.9402 16.1579 42.3514 29.8798 40.0306 30.2944 TIMING: 4056600 CPU: 12822.3, 0.00317504/step Wall: 12822.3, 0.00317504/step, 0.832036 hours remaining, 237.804688 MB of memory in use. ENERGY: 4056600 3930.0454 20538.2512 14500.2339 248.5810 -202984.3155 2217.6176 0.0000 0.0000 51961.2107 -109588.3758 298.6218 -161549.5865 -109223.3327 298.2118 -207.0280 -180.8705 762252.7376 14.9094 15.2020 PRESSURE: 4056800 -104.762 -115.798 53.6172 -115.798 -363.942 84.1302 53.618 84.1303 -187.861 GPRESSURE: 4056800 -87.1704 -169.785 24.1904 -182.526 -297.042 33.1412 58.4529 39.2508 -167.944 PRESSAVG: 4056800 29.9036 -32.9426 6.97724 -32.9426 5.69179 35.3668 6.97728 35.3667 11.7769 GPRESSAVG: 4056800 28.5631 -32.7704 7.10622 -32.2144 7.17772 35.0065 6.56469 35.2393 11.0736 TIMING: 4056800 CPU: 12822.9, 0.00316059/step Wall: 12822.9, 0.00316059/step, 0.828074 hours remaining, 237.804688 MB of memory in use. ENERGY: 4056800 3950.3672 20584.5921 14481.0033 246.3619 -203005.7003 2238.4854 0.0000 0.0000 51829.0620 -109675.8284 297.8623 -161504.8904 -109329.4636 298.2286 -218.8548 -184.0523 761844.9587 15.7907 15.6048 PRESSURE: 4057000 -210.295 139.639 -96.69 139.639 -8.94021 57.7114 -96.6898 57.7122 -221.089 GPRESSURE: 4057000 -189.488 202.718 -137.387 114.129 -23.6475 7.50758 -78.1352 100.151 -152.093 PRESSAVG: 4057000 -21.7669 -47.0337 -19.6354 -47.0336 -12.9816 43.5343 -19.6355 43.5342 14.2266 GPRESSAVG: 4057000 -21.0039 -46.8412 -19.1297 -45.5341 -14.107 43.0527 -19.3358 44.7725 13.5926 TIMING: 4057000 CPU: 12823.5, 0.00315488/step Wall: 12823.5, 0.00315488/step, 0.826404 hours remaining, 237.804688 MB of memory in use. ENERGY: 4057000 3876.9472 20317.3524 14516.7176 226.4704 -203323.7290 2493.6593 0.0000 0.0000 52127.2711 -109765.3110 299.5761 -161892.5821 -109391.3578 298.4888 -146.7750 -121.7428 761961.2190 -6.8406 -7.1728 PRESSURE: 4057200 320.22 46.9379 2.23545 46.9379 150.814 113.283 2.23586 113.284 285.745 GPRESSURE: 4057200 281.251 -10.9094 111.115 -63.038 253.629 153.137 91.2015 46.9915 318.672 PRESSAVG: 4057200 -83.4181 -34.1699 -14.3311 -34.1698 8.09946 -17.2322 -14.3311 -17.2321 33.8804 GPRESSAVG: 4057200 -83.1572 -35.614 -14.0911 -33.7935 8.34974 -18.5811 -13.3203 -17.1426 33.039 TIMING: 4057200 CPU: 12824.2, 0.0031593/step Wall: 12824.2, 0.00315929/step, 0.827384 hours remaining, 237.804688 MB of memory in use. ENERGY: 4057200 3976.6485 20506.2682 14472.8728 238.5349 -203912.4166 2946.1705 0.0000 0.0000 52066.6811 -109705.2406 299.2279 -161771.9217 -109348.4126 298.3351 252.2595 284.5172 760587.2269 -13.8128 -13.9228 PRESSURE: 4057400 131.594 -182.9 302.834 -182.899 327.11 80.946 302.835 80.9465 309.726 GPRESSURE: 4057400 176.219 -175.763 262.235 -72.1951 417.748 23.6982 275.692 72.5912 251.563 PRESSAVG: 4057400 -43.0037 -42.0294 0.00521445 -42.0295 80.1183 -31.1848 0.00522408 -31.1848 10.324 GPRESSAVG: 4057400 -43.6232 -40.6613 -0.261506 -43.6283 80.1199 -29.7893 -0.975332 -31.9298 11.3611 TIMING: 4057400 CPU: 12824.8, 0.00316021/step Wall: 12824.8, 0.00316021/step, 0.827448 hours remaining, 238.007812 MB of memory in use. ENERGY: 4057400 3926.4260 20388.1842 14519.2327 238.8760 -203659.0106 2800.2802 0.0000 0.0000 52108.5493 -109677.4621 299.4685 -161786.0115 -109312.8889 298.6036 256.1435 281.8433 760091.3468 15.8128 15.9526 PRESSURE: 4057600 302.64 -120.939 59.4586 -120.94 175.179 39.7774 59.4591 39.7781 103.074 GPRESSURE: 4057600 335.372 -164.775 -83.4091 -69.6585 211.641 22.9574 61.0256 -78.2287 109.856 PRESSAVG: 4057600 -4.4598 -104.696 5.32811 -104.696 57.2954 7.68539 5.32808 7.68546 4.59399 GPRESSAVG: 4057600 -4.35639 -104.851 5.2065 -105.018 57.2191 6.94474 2.57986 9.42973 3.86403 TIMING: 4057600 CPU: 12825.4, 0.00317033/step Wall: 12825.4, 0.00317033/step, 0.829923 hours remaining, 238.210938 MB of memory in use. ENERGY: 4057600 3984.7356 20682.2029 14547.2592 230.8317 -203354.7731 2517.0152 0.0000 0.0000 51911.8013 -109480.9271 298.3378 -161392.7284 -109126.0568 299.2035 193.6313 218.9562 761305.5854 19.1432 18.9089 PRESSURE: 4057800 262.123 -18.3497 -192.875 -18.3491 -145.026 -54.8755 -192.875 -54.8746 82.7826 GPRESSURE: 4057800 285.405 -39.6846 -179.955 -60.7114 -86.7769 -32.5447 -273.129 -63.8875 76.6941 PRESSAVG: 4057800 52.0449 -56.6383 -28.51 -56.6383 -34.0645 -28.7436 -28.51 -28.7436 11.8682 GPRESSAVG: 4057800 51.3638 -57.8994 -28.5171 -56.9089 -34.6519 -27.3627 -25.243 -29.957 13.1777 TIMING: 4057800 CPU: 12826.1, 0.00315155/step Wall: 12826.1, 0.00315155/step, 0.824831 hours remaining, 238.222656 MB of memory in use. ENERGY: 4057800 3944.6554 20374.3560 14493.1431 245.3022 -203237.3552 2559.7206 0.0000 0.0000 51942.4339 -109677.7440 298.5139 -161620.1779 -109311.0739 298.8402 66.6264 91.7740 762095.1873 9.9495 9.9632 PRESSURE: 4058000 165.902 -99.6874 -54.9519 -99.6878 98.0491 43.8272 -54.9513 43.8264 -310.485 GPRESSURE: 4058000 172.134 8.18083 9.57516 -44.0693 200.542 -3.1239 -79.4108 131.232 -320.251 PRESSAVG: 4058000 14.3556 26.0335 -41.9252 26.0335 -7.06642 -41.7691 -41.9253 -41.7692 2.98223 GPRESSAVG: 4058000 14.4498 26.9686 -41.9046 27.3187 -6.56819 -42.6643 -44.1624 -42.5533 2.2544 TIMING: 4058000 CPU: 12826.7, 0.00315495/step Wall: 12826.7, 0.00315495/step, 0.825546 hours remaining, 238.222656 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: 4058000 4013.8669 20514.6516 14461.1468 235.6742 -203547.5945 2810.6512 0.0000 0.0000 51853.6036 -109658.0000 298.0034 -161511.6036 -109305.4271 298.2416 -15.5113 17.4752 762782.5778 3.4238 3.3787 PRESSURE: 4058200 84.7702 -208.849 -59.6495 -208.849 -229.496 -258.789 -59.6501 -258.789 -220.172 GPRESSURE: 4058200 142.104 -156.727 -0.378592 -130.367 -161.331 -249.09 52.7932 -224.226 -239.749 PRESSAVG: 4058200 35.9329 60.0298 -24.6249 60.0299 -12.6075 -8.68508 -24.6249 -8.68508 26.6971 GPRESSAVG: 4058200 35.8281 60.8151 -25.0767 58.6474 -12.8772 -8.93338 -21.1811 -7.29869 26.8682 TIMING: 4058200 CPU: 12827.3, 0.0031877/step Wall: 12827.3, 0.0031877/step, 0.833937 hours remaining, 238.222656 MB of memory in use. ENERGY: 4058200 3905.7906 20553.5581 14474.3444 235.3911 -203711.7394 2951.8081 0.0000 0.0000 51835.1321 -109755.7150 297.8972 -161590.8472 -109400.9439 298.3542 -121.6325 -86.3254 762779.4589 16.6742 16.6064 PRESSURE: 4058400 -317.669 177.3 -38.3195 177.3 -347.303 -60.2147 -38.3197 -60.2148 201.303 GPRESSURE: 4058400 -237.244 220.766 -58.7447 134.598 -331.711 -155.726 -235.42 41.1944 186.129 PRESSAVG: 4058400 32.8387 -34.197 -9.33463 -34.197 -25.3327 32.7922 -9.33457 32.7922 -6.18357 GPRESSAVG: 4058400 33.5578 -35.3766 -10.0607 -34.0712 -26.1805 33.2001 -11.0044 32.7853 -6.93299 TIMING: 4058400 CPU: 12828, 0.00316087/step Wall: 12828, 0.00316087/step, 0.826744 hours remaining, 238.222656 MB of memory in use. ENERGY: 4058400 4012.2414 20635.6492 14422.9604 242.4007 -203691.6783 2720.2317 0.0000 0.0000 51878.6269 -109779.5681 298.1472 -161658.1950 -109419.1641 298.1401 -154.5564 -127.6087 763060.3255 0.4408 0.1481 PRESSURE: 4058600 349.681 -295.735 32.0986 -295.735 145.432 87.8012 32.0989 87.8011 380.658 GPRESSURE: 4058600 398.848 -240.287 37.7924 -222.37 122.075 38.0516 -16.2045 95.8664 437.902 PRESSAVG: 4058600 52.4328 -0.972277 -35.7412 -0.972291 -49.6457 -29.6453 -35.7412 -29.6453 25.0574 GPRESSAVG: 4058600 52.7554 -0.368069 -34.0046 -0.290811 -50.8901 -29.505 -35.7665 -30.8373 25.6743 TIMING: 4058600 CPU: 12828.6, 0.00320361/step Wall: 12828.6, 0.00320361/step, 0.837743 hours remaining, 238.222656 MB of memory in use. ENERGY: 4058600 3882.7429 20515.9419 14421.1842 251.4717 -203603.2561 2824.9028 0.0000 0.0000 51935.5125 -109771.5002 298.4741 -161707.0127 -109407.5487 298.3366 291.9237 319.6083 761761.1959 9.2815 9.1799 PRESSURE: 4058800 126.721 114.999 -40.0977 114.999 5.81418 -114.472 -40.0965 -114.47 -8.06796 GPRESSURE: 4058800 106.992 154.587 -114.667 77.4452 72.0301 -49.1623 99.7086 -179.654 35.6466 PRESSAVG: 4058800 21.5643 -50.802 -1.58882 -50.802 -40.2327 -46.9097 -1.58873 -46.9097 -3.13441 GPRESSAVG: 4058800 20.4332 -50.801 -1.30951 -50.2691 -39.2923 -45.4257 -2.0061 -48.2811 -3.40267 TIMING: 4058800 CPU: 12829.2, 0.00319534/step Wall: 12829.2, 0.00319534/step, 0.835403 hours remaining, 238.222656 MB of memory in use. ENERGY: 4058800 3889.8010 20256.6609 14490.4960 241.1334 -203406.1385 2737.0181 0.0000 0.0000 52451.8230 -109339.2061 301.4413 -161791.0292 -108974.9415 298.6494 41.4890 71.5562 762585.9814 -7.2676 -7.4206 PRESSURE: 4059000 8.19793 -219.039 -116.74 -219.039 -65.3662 51.1203 -116.739 51.1208 -23.9964 GPRESSURE: 4059000 20.2133 -200.683 -123.805 -99.9425 76.8696 156.683 -52.0009 3.39274 -62.8684 PRESSAVG: 4059000 40.9916 -32.0291 3.89639 -32.029 -33.0117 -1.31464 3.89637 -1.31462 5.58088 GPRESSAVG: 4059000 39.6042 -30.4729 2.59704 -32.919 -31.7318 -1.99819 6.73634 -0.995096 6.26512 TIMING: 4059000 CPU: 12829.9, 0.00319976/step Wall: 12829.9, 0.00319976/step, 0.836381 hours remaining, 238.222656 MB of memory in use. ENERGY: 4059000 3914.0834 20371.6318 14484.2688 250.1180 -203218.8698 2644.0304 0.0000 0.0000 52364.3465 -109190.3910 300.9386 -161554.7374 -108823.8956 299.5580 -27.0549 11.4049 762390.9756 4.5203 4.7125 PRESSURE: 4059200 170.864 -409.726 189.977 -409.726 -80.7517 44.1684 189.977 44.1678 -328.362 GPRESSURE: 4059200 183.344 -315.392 197.863 -310.903 -84.135 -63.0334 -5.32029 112.272 -245.838 PRESSAVG: 4059200 -1.14682 -18.3604 36.1656 -18.3603 13.6628 39.8621 36.1656 39.8621 -23.5185 GPRESSAVG: 4059200 -0.0238822 -19.4647 37.0136 -17.8093 12.3395 38.8287 32.0218 40.7595 -23.663 TIMING: 4059200 CPU: 12830.5, 0.00318913/step Wall: 12830.5, 0.00318913/step, 0.833425 hours remaining, 238.222656 MB of memory in use. ENERGY: 4059200 4025.4283 20561.5415 14554.4427 236.1855 -203006.4100 2281.3476 0.0000 0.0000 52071.0900 -109276.3744 299.2533 -161347.4644 -108922.7102 299.2696 -79.4166 -48.8764 762094.5153 -3.6675 -3.7825 PRESSURE: 4059400 -179.535 -236.965 -246.929 -236.965 -74.3137 -41.0887 -246.931 -41.0873 -175.023 GPRESSURE: 4059400 -205.738 -324.371 -132.924 -119.004 -17.4523 -107.356 -199.145 -74.566 -108.135 PRESSAVG: 4059400 -26.866 16.4631 -42.3201 16.4631 4.37732 -7.69473 -42.3201 -7.69469 7.85798 GPRESSAVG: 4059400 -26.5952 16.8267 -42.8426 16.6903 4.37259 -7.89143 -41.4566 -8.46667 7.37199 TIMING: 4059400 CPU: 12831.1, 0.00319213/step Wall: 12831.1, 0.00319213/step, 0.834033 hours remaining, 238.222656 MB of memory in use. ENERGY: 4059400 4036.9733 20535.5483 14604.3019 250.4979 -203317.8781 2672.2957 0.0000 0.0000 52142.7417 -109075.5191 299.6651 -161218.2609 -108714.1484 299.5479 -142.9574 -110.4418 762352.1759 -4.8769 -4.9502 PRESSURE: 4059600 -299.713 -195.637 -129.606 -195.638 -124.847 -85.3831 -129.605 -85.3827 73.1103 GPRESSURE: 4059600 -156.173 -230.115 -120.492 -191.498 -102.196 -79.1908 -112.496 -124.041 0.0690681 PRESSAVG: 4059600 -19.7196 -56.1486 -15.0792 -56.1486 9.67646 -7.11068 -15.0792 -7.11074 7.25903 GPRESSAVG: 4059600 -20.0614 -56.8113 -15.2861 -55.7481 9.40063 -7.35562 -14.5942 -7.37264 7.96794 TIMING: 4059600 CPU: 12831.8, 0.003188/step Wall: 12831.8, 0.003188/step, 0.832777 hours remaining, 238.222656 MB of memory in use. ENERGY: 4059600 4001.7774 20726.1336 14501.6016 244.6303 -203312.8894 2432.2606 0.0000 0.0000 52140.7646 -109265.7213 299.6537 -161406.4859 -108908.3588 299.8044 -117.1498 -86.1002 761532.5662 -0.9280 -0.8976 PRESSURE: 4059800 -203.22 -84.6847 42.0809 -84.685 217.264 -141.589 42.0814 -141.59 83.4062 GPRESSURE: 4059800 -172.965 -150.588 -22.095 -97.7325 204.963 -193.459 35.7281 -101.487 157.032 PRESSAVG: 4059800 -18.5797 8.91755 -27.1041 8.91759 17.0316 22.6802 -27.1041 22.6802 -2.7602 GPRESSAVG: 4059800 -18.1236 8.59841 -27.7717 7.91412 17.2098 23.9076 -25.0568 23.3689 -3.41593 TIMING: 4059800 CPU: 12832.4, 0.00318433/step Wall: 12832.4, 0.00318433/step, 0.831642 hours remaining, 238.222656 MB of memory in use. ENERGY: 4059800 3951.5720 20624.6710 14521.8107 235.2296 -203544.1897 2587.2125 0.0000 0.0000 52205.3759 -109418.3180 300.0250 -161623.6939 -109063.4895 299.5947 32.4832 63.0100 760210.3830 -1.4361 -1.4432 PRESSURE: 4060000 -290.494 -119.058 283.383 -119.058 113.21 32.5502 283.383 32.5507 27.2359 GPRESSURE: 4060000 -210.746 -125.67 297.015 -87.2388 96.2684 7.96671 184.216 51.8302 58.3631 PRESSAVG: 4060000 -50.0961 -64.766 -61.0179 -64.766 26.3771 35.4375 -61.0179 35.4374 9.01379 GPRESSAVG: 4060000 -50.2071 -64.5852 -59.4281 -66.3586 26.7292 34.8017 -64.0318 36.9567 9.14568 TIMING: 4060000 CPU: 12833.1, 0.00318099/step Wall: 12833.1, 0.00318099/step, 0.830592 hours remaining, 238.222656 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: 4060000 3998.5888 20633.4616 14497.6557 242.3446 -202692.6751 2320.6659 0.0000 0.0000 51741.0437 -109258.9148 297.3565 -160999.9585 -108899.9522 299.1010 -50.0161 -18.7049 762846.7726 -4.9017 -4.7774 PRESSURE: 4060200 49.9033 -187.533 -85.6357 -187.533 -189.544 99.7566 -85.6346 99.7566 97.6796 GPRESSURE: 4060200 8.70966 -227.465 -21.3444 -131.446 -41.2871 44.4271 -58.8098 124.268 71.2797 PRESSAVG: 4060200 -10.1682 -26.2326 20.3674 -26.2326 -14.4011 18.6422 20.3673 18.6422 6.38615 GPRESSAVG: 4060200 -10.9271 -24.1176 20.6126 -25.1134 -13.5647 19.3759 19.6602 17.7519 6.39218 TIMING: 4060200 CPU: 12833.7, 0.00318922/step Wall: 12833.7, 0.00318922/step, 0.832563 hours remaining, 238.222656 MB of memory in use. ENERGY: 4060200 3904.7487 20662.1019 14507.8292 230.9364 -203159.3717 2800.0461 0.0000 0.0000 51979.6789 -109074.0305 298.7279 -161053.7094 -108712.4179 299.2429 -13.9870 12.9008 765417.4530 -6.0610 -6.0332 LDB: ============= START OF LOAD BALANCING ============== 12846.2 LDB: ============== END OF LOAD BALANCING =============== 12846.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12846.2 LDB: ============= START OF LOAD BALANCING ============== 12846.6 LDB: Largest compute 7076 load 0.033471 is 17.1% of average load 0.195534 LDB: Average compute 0.004405 is 2.3% of average load 0.195534 LDB: TIME 12846.6 LOAD: AVG 0.195534 MAX 0.222026 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 12846.6 LOAD: AVG 0.195534 MAX 0.222026 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 12846.6 LOAD: AVG 0.195534 MAX 0.216381 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 12846.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12846.6 PRESSURE: 4060400 -220.194 27.8815 -301.016 27.8806 -153.497 -202.985 -301.016 -202.986 117.963 GPRESSURE: 4060400 -185.3 53.5556 -246.639 -10.0496 -131.076 -193.136 -263.063 -100.495 162.862 PRESSAVG: 4060400 -16.652 -13.0571 -66.5145 -13.0571 -28.1949 -0.467052 -66.5145 -0.467 -4.80226 GPRESSAVG: 4060400 -16.7748 -13.4818 -67.4451 -12.2853 -27.607 -1.15484 -63.8043 1.8671 -5.57133 TIMING: 4060400 CPU: 12834.4, 0.00326273/step Wall: 12834.4, 0.00326273/step, 0.851572 hours remaining, 236.398438 MB of memory in use. ENERGY: 4060400 3951.1127 20652.9792 14520.2190 242.4196 -203243.2770 2590.3680 0.0000 0.0000 51910.7727 -109375.4058 298.3319 -161286.1785 -109011.6344 299.3216 -85.2424 -51.1716 762611.4367 -16.5497 -16.6511 PRESSURE: 4060600 -189.77 -110.979 -48.3366 -110.979 -543.27 -8.40163 -48.3365 -8.40061 34.9191 GPRESSURE: 4060600 -180.466 -86.8809 -33.2678 -136.693 -516.976 8.71172 -139.249 -83.9738 95.4162 PRESSAVG: 4060600 53.2152 -62.0387 -113.165 -62.0387 -44.9788 -53.5577 -113.165 -53.5578 -9.53112 GPRESSAVG: 4060600 53.6025 -62.949 -112.02 -60.519 -46.6897 -53.3133 -113.641 -56.7209 -7.75965 TIMING: 4060600 CPU: 12835, 0.00320851/step Wall: 12835, 0.00320851/step, 0.837243 hours remaining, 236.613281 MB of memory in use. ENERGY: 4060600 3989.8969 20683.5546 14582.5166 236.9067 -202928.2776 2190.3246 0.0000 0.0000 51966.2339 -109278.8444 298.6507 -161245.0783 -108917.9917 298.9698 -232.7072 -200.6752 762017.9100 -0.4316 -0.2823 PRESSURE: 4060800 21.425 -31.7709 -57.7315 -31.7712 228.945 -42.0423 -57.7319 -42.0436 -85.1644 GPRESSURE: 4060800 -34.4732 -35.7564 36.7148 -112.271 276.347 -27.5112 -26.2912 -12.2679 -20.0905 PRESSAVG: 4060800 8.811 -1.95502 -28.4999 -1.95507 21.2795 25.2747 -28.4998 25.2747 41.5822 GPRESSAVG: 4060800 9.09624 -2.9843 -28.1217 -3.02357 21.831 27.8321 -28.3651 24.708 40.5078 TIMING: 4060800 CPU: 12835.6, 0.00319897/step Wall: 12835.6, 0.00319897/step, 0.834576 hours remaining, 236.679688 MB of memory in use. ENERGY: 4060800 3992.3572 20578.2675 14498.8345 250.9420 -203026.7507 2458.5376 0.0000 0.0000 52006.3498 -109241.4620 298.8812 -161247.8119 -108876.0028 298.6762 55.0684 73.9278 761270.0796 23.8909 23.8117 PRESSURE: 4061000 352.925 -9.28446 112.181 -9.28347 175.851 -16.6832 112.181 -16.6827 125.871 GPRESSURE: 4061000 346.98 30.1729 56.9212 -58.8224 210.41 27.0636 126.016 -30.4888 165.583 PRESSAVG: 4061000 15.7904 -39.1366 -6.67869 -39.1366 -22.4579 -5.63334 -6.67873 -5.63328 -2.62572 GPRESSAVG: 4061000 14.5494 -36.7744 -8.39077 -42.8528 -21.5292 -6.06727 -6.61842 -5.07174 -2.68366 TIMING: 4061000 CPU: 12836.3, 0.00318157/step Wall: 12836.3, 0.00318157/step, 0.829859 hours remaining, 236.679688 MB of memory in use. ENERGY: 4061000 4025.2166 20625.5361 14492.2025 241.7671 -203223.9468 2565.7496 0.0000 0.0000 52143.6196 -109129.8554 299.6701 -161273.4750 -108775.9431 298.6921 218.2160 240.9910 759268.5029 -3.0977 -3.2211 PRESSURE: 4061200 -262.181 -91.4414 195.43 -91.4421 -173.29 19.6693 195.431 19.6688 244.064 GPRESSURE: 4061200 -186.887 -155.561 226.614 -167.343 -131.769 77.1185 160.579 91.311 206.162 PRESSAVG: 4061200 93.472 -17.7458 -8.73057 -17.7458 -26.1922 39.848 -8.73059 39.848 3.83582 GPRESSAVG: 4061200 94.3804 -18.8176 -9.79367 -15.4217 -26.8368 38.5334 -7.56272 40.7629 3.10822 TIMING: 4061200 CPU: 12836.9, 0.00320755/step Wall: 12836.9, 0.00320755/step, 0.836459 hours remaining, 236.679688 MB of memory in use. ENERGY: 4061200 4019.6668 20551.5195 14515.4506 238.9410 -203284.8126 2537.2700 0.0000 0.0000 52162.8533 -109259.1113 299.7806 -161421.9647 -108897.7271 300.0042 -63.8022 -37.4978 761951.2064 23.7052 23.5506 PRESSURE: 4061400 -80.0141 94.6822 -7.90642 94.6814 -182.368 30.9516 -7.90737 30.9514 -39.3207 GPRESSURE: 4061400 -141.211 81.5259 16.073 181.702 -95.5719 -7.9139 18.3759 -8.69512 24.197 PRESSAVG: 4061400 -6.32642 -3.64257 5.33805 -3.64253 9.50483 13.5321 5.33808 13.5321 11.2765 GPRESSAVG: 4061400 -7.788 -4.19449 6.49395 -3.77653 10.2681 14.371 3.74332 12.7939 11.9366 TIMING: 4061400 CPU: 12837.5, 0.00318671/step Wall: 12837.5, 0.00318671/step, 0.830847 hours remaining, 236.679688 MB of memory in use. ENERGY: 4061400 3968.3440 20760.7788 14559.7492 245.6822 -203405.2912 2718.6940 0.0000 0.0000 52000.2983 -109151.7447 298.8464 -161152.0430 -108804.1559 299.9073 -100.5675 -70.8621 763795.6546 4.8183 4.8056 PRESSURE: 4061600 -556.971 168.559 -217.352 168.559 -479.074 124.435 -217.352 124.435 -332.69 GPRESSURE: 4061600 -490.486 103.981 -169.19 68.8271 -466.703 126.663 -195.836 103.711 -313.285 PRESSAVG: 4061600 67.868 -30.541 8.02924 -30.5411 -18.5486 -60.5586 8.02922 -60.5586 -27.258 GPRESSAVG: 4061600 68.448 -28.7172 9.05178 -29.1731 -19.728 -62.0739 9.80474 -59.9393 -25.7226 TIMING: 4061600 CPU: 12838.2, 0.0031653/step Wall: 12838.2, 0.0031653/step, 0.825087 hours remaining, 236.679688 MB of memory in use. ENERGY: 4061600 3970.5829 20580.2927 14492.8177 234.7487 -202802.7166 2028.4748 0.0000 0.0000 52320.1019 -109175.6979 300.6843 -161495.7998 -108805.8896 299.8104 -456.2451 -423.4916 764332.9261 7.3538 7.6658 PRESSURE: 4061800 359.229 218.273 -102.512 218.274 588.785 372.977 -102.514 372.976 221.06 GPRESSURE: 4061800 465.164 167.156 -197.168 235.615 559.14 349.273 -113.338 411.716 212.044 PRESSAVG: 4061800 20.5156 17.2734 5.49636 17.2735 8.61253 23.6148 5.49632 23.6148 -3.38497 GPRESSAVG: 4061800 21.7095 16.9349 3.84719 16.4713 8.23219 23.9292 4.3803 23.1316 -4.45083 TIMING: 4061800 CPU: 12838.8, 0.00317305/step Wall: 12838.8, 0.00317305/step, 0.826933 hours remaining, 236.679688 MB of memory in use. ENERGY: 4061800 3945.1681 20519.8082 14507.6423 255.9949 -203759.1951 3006.9627 0.0000 0.0000 52313.4128 -109210.2062 300.6459 -161523.6189 -108841.5741 299.6925 389.6915 412.1159 760076.3071 8.5811 8.4970 PRESSURE: 4062000 -166.904 150.574 13.2227 150.574 -21.9616 46.6747 13.2229 46.6731 -227.314 GPRESSURE: 4062000 -60.8966 193.932 84.6471 26.6462 -7.53902 158.788 2.62912 151.088 -303.273 PRESSAVG: 4062000 -15.7655 -15.5692 55.4188 -15.5692 5.70092 34.4122 55.4188 34.4122 9.0541 GPRESSAVG: 4062000 -15.9146 -15.6875 55.7588 -13.733 5.3491 35.9568 57.7679 33.9146 9.09828 TIMING: 4062000 CPU: 12839.4, 0.00317658/step Wall: 12839.4, 0.00317658/step, 0.827676 hours remaining, 236.679688 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: 4062000 3986.8265 20455.9565 14509.4642 256.1518 -203084.7106 2303.4079 0.0000 0.0000 52037.2350 -109535.6688 299.0587 -161572.9038 -109172.3052 299.7734 -138.7265 -123.9028 762660.7068 -0.3368 -0.4891 PRESSURE: 4062200 37.3125 -295.179 177.14 -295.179 -76.0856 -116.351 177.141 -116.351 41.2454 GPRESSURE: 4062200 -1.3113 -164.584 121.217 -338.341 -43.2678 -168.391 55.2525 -79.8266 123.122 PRESSAVG: 4062200 23.5281 10.3997 34.013 10.3998 -24.8447 39.8284 34.013 39.8285 -9.84058 GPRESSAVG: 4062200 23.1308 11.2341 34.3973 7.58605 -24.9002 38.1333 30.4609 40.5938 -9.01658 TIMING: 4062200 CPU: 12840.1, 0.00316836/step Wall: 12840.1, 0.00316836/step, 0.825357 hours remaining, 236.679688 MB of memory in use. ENERGY: 4062200 4016.1639 20603.4187 14374.4091 237.2729 -203748.9626 2722.8862 0.0000 0.0000 52210.5111 -109584.3006 300.0545 -161794.8117 -109219.2459 299.0270 0.8241 26.1810 760798.7771 -3.7190 -3.5953 PRESSURE: 4062400 242.114 -116.282 -102.007 -116.282 70.3121 115.516 -102.007 115.517 309.149 GPRESSURE: 4062400 243.448 -170.281 -112.38 -126.61 108.092 141.723 -65.8815 63.0996 344.569 PRESSAVG: 4062400 3.26119 -56.296 -1.01301 -56.2961 -30.1212 37.6052 -1.01302 37.6051 -7.60578 GPRESSAVG: 4062400 2.39205 -55.4256 -1.37785 -56.8371 -28.6445 38.2469 0.682213 35.8691 -8.12062 TIMING: 4062400 CPU: 12840.7, 0.00317221/step Wall: 12840.7, 0.00317221/step, 0.826184 hours remaining, 236.679688 MB of memory in use. ENERGY: 4062400 4054.4320 20521.6454 14446.4490 262.4311 -204291.0213 3209.9903 0.0000 0.0000 52191.8490 -109604.2244 299.9473 -161796.0735 -109244.7932 299.1015 207.1916 232.0361 760626.1338 -11.4886 -11.4577 PRESSURE: 4062600 -302.89 -219.371 26.7441 -219.372 -248.329 -41.7412 26.7439 -41.7415 -420.915 GPRESSURE: 4062600 -192.397 -205.736 -26.1222 -145.003 -228.126 -130.778 -54.9834 -81.0555 -490.041 PRESSAVG: 4062600 26.0088 -26.8198 -1.35856 -26.8199 19.0935 44.5205 -1.35848 44.5206 13.6786 GPRESSAVG: 4062600 27.4691 -27.6205 -0.829222 -24.3573 17.8819 44.4849 -2.58123 43.7185 13.1679 TIMING: 4062600 CPU: 12841.3, 0.00315876/step Wall: 12841.3, 0.00315876/step, 0.822505 hours remaining, 236.679688 MB of memory in use. ENERGY: 4062600 3966.0295 20434.8973 14481.3552 249.3218 -203049.1412 2118.2304 0.0000 0.0000 51986.8816 -109812.4254 298.7693 -161799.3071 -109452.9635 299.0480 -324.0445 -303.5215 761722.2178 19.5936 19.5063 PRESSURE: 4062800 170.696 110.002 -95.3692 110.002 6.56917 42.8783 -95.3701 42.878 95.3283 GPRESSURE: 4062800 158.806 38.3725 -127.35 103.006 123.239 64.018 1.75569 -42.2665 67.8566 PRESSAVG: 4062800 -88.1462 -55.1037 -32.6591 -55.1037 82.9141 18.8584 -32.6591 18.8584 4.07824 GPRESSAVG: 4062800 -89.2032 -56.9333 -34.2859 -55.818 82.766 18.1951 -30.6875 18.5953 5.36603 TIMING: 4062800 CPU: 12842, 0.00317742/step Wall: 12842, 0.00317742/step, 0.827188 hours remaining, 236.679688 MB of memory in use. ENERGY: 4062800 3917.7885 20613.9164 14470.6171 237.3256 -203645.1058 2786.3261 0.0000 0.0000 52022.7112 -109596.4209 298.9752 -161619.1320 -109236.2160 298.7678 90.8646 116.6339 761732.3339 -0.3846 -0.3570 PRESSURE: 4063000 74.4955 45.3512 64.5387 45.3505 148.384 -159.174 64.5394 -159.173 234.203 GPRESSURE: 4063000 163.531 7.09699 96.2809 55.871 172.639 -68.9546 82.0908 -146.529 200.503 PRESSAVG: 4063000 -35.7472 -35.0106 9.15344 -35.0106 1.07275 -5.6031 9.15338 -5.60312 -11.7241 GPRESSAVG: 4063000 -36.3688 -35.1537 9.99411 -36.667 2.52675 -5.59576 8.2738 -5.01201 -12.4865 TIMING: 4063000 CPU: 12842.6, 0.00319151/step Wall: 12842.6, 0.00319151/step, 0.830678 hours remaining, 236.679688 MB of memory in use. ENERGY: 4063000 3938.5452 20641.8760 14470.4469 244.4444 -203742.5706 2767.6016 0.0000 0.0000 52104.2280 -109575.4285 299.4437 -161679.6565 -109209.2372 299.1731 152.3608 178.8910 761493.7964 -15.4662 -15.4429 PRESSURE: 4063200 -133.029 -24.7129 -64.3152 -24.7135 267.55 155.2 -64.3147 155.2 134.938 GPRESSURE: 4063200 -50.8294 20.5184 -156.532 -117.046 293.393 293.957 -101.635 181.054 111.682 PRESSAVG: 4063200 -35.5563 -17.3358 -10.2297 -17.3358 32.053 24.9801 -10.2297 24.9801 12.7261 GPRESSAVG: 4063200 -33.9195 -16.3445 -10.7138 -15.5538 30.3764 25.0175 -11.3954 25.5709 13.167 TIMING: 4063200 CPU: 12843.3, 0.0031751/step Wall: 12843.3, 0.0031751/step, 0.826231 hours remaining, 236.882812 MB of memory in use. ENERGY: 4063200 3948.8208 20704.9701 14505.0653 246.3034 -203523.4519 2521.5278 0.0000 0.0000 52182.3293 -109414.4352 299.8926 -161596.7645 -109064.6552 299.6124 89.8199 118.0818 759801.9091 3.0742 3.2080 PRESSURE: 4063400 106.179 -137.657 40.7112 -137.656 387.748 -62.958 40.712 -62.9568 361.114 GPRESSURE: 4063400 97.3365 -118.775 -123.27 -155.742 381.5 -14.1027 -45.6801 -99.8719 436.234 PRESSAVG: 4063400 34.8963 -29.9528 37.7087 -29.9528 -32.3268 -21.8947 37.7087 -21.8948 -15.1962 GPRESSAVG: 4063400 33.1402 -28.6823 36.1681 -32.0764 -30.447 -20.2291 38.5589 -21.7647 -15.2428 TIMING: 4063400 CPU: 12843.9, 0.00317517/step Wall: 12843.9, 0.00317517/step, 0.826073 hours remaining, 236.882812 MB of memory in use. ENERGY: 4063400 3985.6331 20616.9377 14543.9481 267.3596 -203695.7737 2602.2132 0.0000 0.0000 52150.9989 -109528.6830 299.7125 -161679.6820 -109167.3201 299.5066 285.0134 305.0238 762117.3913 -4.2089 -4.1832 PRESSURE: 4063600 -374.28 -135.757 -179.182 -135.757 -210.149 50.1574 -179.184 50.1569 48.252 GPRESSURE: 4063600 -331.958 -94.6594 -51.5028 23.3978 -83.0937 -30.5104 -205.951 36.3752 -49.7934 PRESSAVG: 4063600 -40.8726 -39.5227 -11.7965 -39.5228 67.5122 -15.0856 -11.7965 -15.0856 12.043 GPRESSAVG: 4063600 -39.7232 -40.6986 -8.66939 -37.6453 66.5658 -15.6687 -11.2686 -15.584 11.9323 TIMING: 4063600 CPU: 12844.5, 0.00319295/step Wall: 12844.5, 0.00319295/step, 0.830521 hours remaining, 236.882812 MB of memory in use. ENERGY: 4063600 3998.0150 20602.8603 14482.0621 259.5771 -203367.7079 2439.6962 0.0000 0.0000 52112.2831 -109473.2140 299.4900 -161585.4971 -109106.0628 299.4406 -178.7255 -154.9485 762753.8129 12.8942 12.9250 PRESSURE: 4063800 -38.0529 -140.271 -118.037 -140.27 -197.326 -32.1721 -118.037 -32.1736 -69.5646 GPRESSURE: 4063800 61.1482 -128.151 -144.179 -158.337 -200.115 -73.4005 -134.028 -56.0406 -88.6714 PRESSAVG: 4063800 7.77776 -47.0685 13.2226 -47.0685 -17.9354 -48.6047 13.2226 -48.6047 5.01327 GPRESSAVG: 4063800 6.78606 -48.3861 13.5256 -47.9461 -16.4913 -49.9916 12.49 -48.2174 4.40526 TIMING: 4063800 CPU: 12845.2, 0.0031905/step Wall: 12845.2, 0.0031905/step, 0.829706 hours remaining, 236.882812 MB of memory in use. ENERGY: 4063800 4001.0429 20652.9002 14628.7518 256.1938 -203513.5045 2576.8343 0.0000 0.0000 51920.3096 -109477.4720 298.3867 -161397.7816 -109118.2699 299.2526 -101.6478 -75.8792 760925.1838 -1.7148 -1.7667 PRESSURE: 4064000 -91.1083 -293.324 290.713 -293.323 -342.553 -124.627 290.712 -124.626 -145.905 GPRESSURE: 4064000 82.8779 -291.897 215.056 -251.275 -410.629 -173.565 248.284 -165.86 -170.422 PRESSAVG: 4064000 39.7235 -103.024 -8.85759 -103.024 -25.8215 -34.2763 -8.85757 -34.2763 13.2355 GPRESSAVG: 4064000 40.9616 -101.387 -6.85889 -103.242 -27.7158 -35.0546 -9.87083 -32.4158 13.7237 TIMING: 4064000 CPU: 12845.8, 0.00319833/step Wall: 12845.8, 0.00319833/step, 0.831566 hours remaining, 236.882812 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: 4064000 4031.0074 20634.4927 14582.1457 236.7602 -203084.9729 2086.3018 0.0000 0.0000 52082.8977 -109431.3673 299.3211 -161514.2650 -109074.4181 299.4173 -193.1887 -166.0578 760894.5813 9.0458 8.9899 PRESSURE: 4064200 -1.20479 129.151 -179.91 129.15 312.487 -30.6865 -179.911 -30.6865 -216.867 GPRESSURE: 4064200 21.481 65.4994 -115.817 39.4204 269.182 29.9021 -315.753 -203.058 -111.538 PRESSAVG: 4064200 19.5646 -25.9517 -18.6216 -25.9517 -31.9959 -47.276 -18.6216 -47.2759 1.51942 GPRESSAVG: 4064200 17.7367 -27.2618 -22.6768 -26.2236 -30.5705 -45.5791 -20.5099 -48.4077 2.1085 TIMING: 4064200 CPU: 12846.4, 0.00317563/step Wall: 12846.4, 0.00317563/step, 0.825487 hours remaining, 236.882812 MB of memory in use. ENERGY: 4064200 3981.6640 20601.1142 14449.2686 253.6081 -203678.5713 2702.5396 0.0000 0.0000 52379.0120 -109311.3649 301.0229 -161690.3769 -108943.5435 299.1503 31.4718 59.7083 761913.5537 -3.6373 -3.5751 LDB: ============= START OF LOAD BALANCING ============== 12859 LDB: ============== END OF LOAD BALANCING =============== 12859 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12859 LDB: ============= START OF LOAD BALANCING ============== 12859.3 LDB: Largest compute 7075 load 0.035970 is 18.4% of average load 0.195626 LDB: Average compute 0.004386 is 2.2% of average load 0.195626 LDB: TIME 12859.3 LOAD: AVG 0.195626 MAX 0.215328 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 12859.3 LOAD: AVG 0.195626 MAX 0.215328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: TIME 12859.3 LOAD: AVG 0.195626 MAX 0.215328 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.855 MB LDB: ============== END OF LOAD BALANCING =============== 12859.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12859.3 PRESSURE: 4064400 -8.20586 157.521 223.585 157.521 19.4895 -19.7941 223.585 -19.7935 386.068 GPRESSURE: 4064400 62.4086 233.662 209.796 212.772 16.8917 -43.6304 186.282 93.0227 410.542 PRESSAVG: 4064400 36.4382 -104.412 -9.50132 -104.412 -38.8799 -5.74665 -9.50135 -5.74667 -11.6565 GPRESSAVG: 4064400 36.7178 -102.939 -10.7293 -104.051 -39.8825 -7.55887 -6.64122 -6.07889 -11.4476 TIMING: 4064400 CPU: 12847.1, 0.00326424/step Wall: 12847.1, 0.00326424/step, 0.848339 hours remaining, 235.316406 MB of memory in use. ENERGY: 4064400 4005.7543 20670.8133 14478.4684 238.5817 -203792.2750 2781.7152 0.0000 0.0000 52098.6449 -109518.2972 299.4116 -161616.9422 -109155.1960 299.4398 132.4506 163.2807 760149.4118 -4.6994 -4.8708 PRESSURE: 4064600 3.30369 4.98494 229.169 4.98485 -296.518 157.252 229.17 157.252 -372.988 GPRESSURE: 4064600 48.3298 -15.7393 198.411 -3.23966 -257.835 184.947 267.431 15.757 -368.884 PRESSAVG: 4064600 21.5602 -53.8161 32.6766 -53.816 -44.0162 7.03174 32.6766 7.03177 9.89049 GPRESSAVG: 4064600 21.4463 -55.2015 33.7792 -53.6576 -43.2608 8.96413 32.6088 8.0498 9.32337 TIMING: 4064600 CPU: 12847.7, 0.00321372/step Wall: 12847.7, 0.00321372/step, 0.835032 hours remaining, 235.316406 MB of memory in use. ENERGY: 4064600 3976.6407 20477.8661 14487.8511 246.2997 -203186.0491 2352.1166 0.0000 0.0000 52093.1313 -109552.1437 299.3799 -161645.2750 -109179.2662 299.0656 -222.0674 -192.7964 761244.6161 -4.1885 -4.1637 PRESSURE: 4064800 -39.8467 -287.142 97.1147 -287.142 -44.3631 148.9 97.1149 148.9 -111.97 GPRESSURE: 4064800 49.7199 -196.979 50.5234 -312.966 -129.39 151.097 14.187 218.507 -21.4246 PRESSAVG: 4064800 55.6878 -66.732 -13.0717 -66.7321 -38.0733 15.0815 -13.0717 15.0815 21.542 GPRESSAVG: 4064800 57.4389 -65.4215 -13.4591 -66.2899 -39.6334 13.6459 -13.8062 15.7299 22.2504 TIMING: 4064800 CPU: 12848.4, 0.00320677/step Wall: 12848.4, 0.00320677/step, 0.833049 hours remaining, 235.316406 MB of memory in use. ENERGY: 4064800 3944.7851 20616.8410 14519.2535 243.4273 -203665.8414 2767.2854 0.0000 0.0000 51923.0771 -109651.1719 298.4026 -161574.2490 -109288.0395 298.7995 -65.3932 -33.6981 761466.8069 13.0521 13.3520 PRESSURE: 4065000 308.118 -144.072 2.11179 -144.073 15.2827 -67.0912 2.11067 -67.0902 -11.5208 GPRESSURE: 4065000 364.862 -176.032 49.1196 -196.795 -18.7003 -63.1006 -54.357 -132.495 35.1224 PRESSAVG: 4065000 -10.0235 -62.3816 -19.1951 -62.3816 44.7171 48.1173 -19.1952 48.1173 15.4408 GPRESSAVG: 4065000 -12.7899 -62.5296 -17.6509 -62.3993 47.0867 48.8091 -21.189 46.1909 15.0793 TIMING: 4065000 CPU: 12849, 0.00319694/step Wall: 12849, 0.00319694/step, 0.830317 hours remaining, 235.519531 MB of memory in use. ENERGY: 4065000 3984.4193 20631.6750 14441.9693 236.9885 -203698.8430 2810.3438 0.0000 0.0000 52054.1621 -109539.2849 299.1560 -161593.4470 -109192.4795 298.9946 103.9599 127.0946 759840.3608 16.7115 16.4587 PRESSURE: 4065200 22.5056 113.304 -190.449 113.305 98.4668 178.584 -190.449 178.584 -136.51 GPRESSURE: 4065200 2.32674 66.1055 -106.85 29.4227 71.727 145.956 -224.278 211.702 -27.5129 PRESSAVG: 4065200 -14.45 -102.877 -15.3255 -102.877 9.15932 5.86104 -15.3255 5.861 -10.4109 GPRESSAVG: 4065200 -14.641 -105.463 -15.4649 -102.027 8.89136 6.26576 -13.0574 7.31814 -9.85922 TIMING: 4065200 CPU: 12849.7, 0.0031832/step Wall: 12849.7, 0.0031832/step, 0.826571 hours remaining, 235.519531 MB of memory in use. ENERGY: 4065200 3978.8566 20428.8023 14472.7864 247.9292 -203471.4353 2491.8408 0.0000 0.0000 51989.6430 -109861.5769 298.7852 -161851.2200 -109507.5175 298.8252 -5.1793 15.5136 760048.6422 -5.2339 -5.2030 PRESSURE: 4065400 426.074 -11.3477 312.983 -11.3475 -42.3754 -61.9287 312.983 -61.9289 -143.893 GPRESSURE: 4065400 415.189 -58.8639 272.014 -39.9594 34.3315 -180.197 286.974 81.4463 -130.1 PRESSAVG: 4065400 -18.3104 -35.244 -13.4098 -35.244 22.0757 25.4823 -13.4097 25.4822 -3.38665 GPRESSAVG: 4065400 -18.1155 -34.7536 -12.6014 -34.8522 21.8045 22.6242 -13.9903 26.5631 -3.60271 TIMING: 4065400 CPU: 12850.3, 0.00319331/step Wall: 12850.3, 0.00319331/step, 0.829018 hours remaining, 235.519531 MB of memory in use. ENERGY: 4065400 3986.8216 20502.0688 14498.6598 252.1674 -203456.0563 2461.8961 0.0000 0.0000 51871.1325 -109883.3102 298.1041 -161754.4427 -109516.9748 298.7614 79.9350 106.4735 759146.4808 0.1262 0.0288 PRESSURE: 4065600 -252.592 -195.009 -190.622 -195.008 84.9286 205.424 -190.622 205.424 -240.892 GPRESSURE: 4065600 -162.303 -87.6443 -175.605 -75.6641 79.5399 187.816 -163.931 171.653 -228.704 PRESSAVG: 4065600 -14.7474 -28.0524 -3.84512 -28.0525 -1.24333 -18.6176 -3.84514 -18.6176 1.66097 GPRESSAVG: 4065600 -14.0032 -27.7097 -2.88009 -28.8905 -2.01299 -17.332 -5.12076 -21.2007 2.28841 TIMING: 4065600 CPU: 12850.9, 0.00318328/step Wall: 12850.9, 0.00318328/step, 0.826239 hours remaining, 235.789062 MB of memory in use. ENERGY: 4065600 3987.9961 20385.0164 14494.8014 258.2456 -203246.1779 2471.1220 0.0000 0.0000 51936.6518 -109712.3445 298.4807 -161648.9963 -109360.8139 298.1590 -136.1850 -103.8224 761344.8889 -4.7766 -4.5759 PRESSURE: 4065800 103.48 -90.471 187.036 -90.47 361.197 -218.644 187.035 -218.643 33.6516 GPRESSURE: 4065800 58.1673 -187.847 108.69 -115.663 415.474 -146.882 129.228 -274.637 92.5025 PRESSAVG: 4065800 -50.6247 -80.2777 33.6551 -80.2777 29.9628 -36.1864 33.6551 -36.1864 -6.42673 GPRESSAVG: 4065800 -51.0402 -79.6213 33.5727 -80.5233 30.6011 -34.741 32.0427 -35.7695 -6.34087 TIMING: 4065800 CPU: 12851.6, 0.00317143/step Wall: 12851.6, 0.00317143/step, 0.822987 hours remaining, 235.789062 MB of memory in use. ENERGY: 4065800 4032.3432 20489.5996 14550.7873 245.4770 -203434.0744 2648.4875 0.0000 0.0000 51722.9847 -109744.3951 297.2527 -161467.3798 -109377.5990 298.6619 166.1096 188.7146 760682.7136 -9.0295 -8.9267 PRESSURE: 4066000 60.4483 171.63 -35.7704 171.63 367.014 -115.008 -35.7702 -115.008 190.267 GPRESSURE: 4066000 102.126 221.308 -68.3456 193.508 362.927 -77.2053 -48.2107 -2.13135 218.414 PRESSAVG: 4066000 -51.4624 -2.8643 6.54705 -2.86434 28.405 -28.9322 6.54699 -28.9323 1.38311 GPRESSAVG: 4066000 -51.716 -2.84585 3.61467 -2.02435 29.7689 -28.6234 11.4268 -28.3445 0.400624 TIMING: 4066000 CPU: 12852.2, 0.00317623/step Wall: 12852.2, 0.00317623/step, 0.824054 hours remaining, 235.789062 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: 4066000 3961.6539 20531.5218 14499.2288 235.8601 -203529.0732 2466.1441 0.0000 0.0000 52175.6957 -109658.9688 299.8544 -161834.6645 -109302.9593 298.6614 205.9095 227.8220 760248.1801 -7.2248 -7.1822 PRESSURE: 4066200 335.497 -33.6861 42.2925 -33.6856 -107.127 -86.3451 42.2918 -86.344 67.8073 GPRESSURE: 4066200 348.388 -47.1069 78.2058 4.8846 -60.0826 -136.498 -21.9354 -69.1502 98.7679 PRESSAVG: 4066200 8.19322 -41.4993 19.1256 -41.4993 23.0369 4.9551 19.1256 4.95508 14.6935 GPRESSAVG: 4066200 7.26013 -40.3464 20.304 -42.4284 22.1858 4.27753 18.3195 5.63198 15.9817 TIMING: 4066200 CPU: 12852.8, 0.00316364/step Wall: 12852.8, 0.00316364/step, 0.820612 hours remaining, 235.789062 MB of memory in use. ENERGY: 4066200 3933.2893 20513.7958 14440.8045 251.4510 -203593.6035 2654.2989 0.0000 0.0000 51974.3910 -109825.5728 298.6975 -161799.9639 -109471.3202 298.5614 98.7257 129.0243 762319.2044 15.3079 15.1425 PRESSURE: 4066400 -133.136 50.9416 170.133 50.9414 -193.491 -20.9663 170.133 -20.9643 -204.878 GPRESSURE: 4066400 -116.951 60.0155 178.667 55.3102 -110.199 -96.476 108.871 15.4013 -217.28 PRESSAVG: 4066400 32.1539 0.176664 38.8677 0.176672 -31.6355 -0.100781 38.8677 -0.10081 -11.138 GPRESSAVG: 4066400 33.8451 -1.7398 38.231 -0.282012 -31.6613 -0.666055 36.9477 -1.88368 -12.3943 TIMING: 4066400 CPU: 12853.5, 0.00317582/step Wall: 12853.5, 0.00317582/step, 0.823596 hours remaining, 235.789062 MB of memory in use. ENERGY: 4066400 4014.7655 20420.4649 14522.9284 262.8642 -203466.9930 2563.3655 0.0000 0.0000 51979.3412 -109703.2633 298.7260 -161682.6044 -109335.2104 298.6267 -177.1685 -148.1435 763130.1897 -3.5399 -3.4035 PRESSURE: 4066600 82.4644 -51.0555 -227.43 -51.0561 128.838 170.596 -227.43 170.597 63.4632 GPRESSURE: 4066600 118.142 -89.2187 -225.318 15.0933 59.0982 137.807 -130.125 221.337 167.886 PRESSAVG: 4066600 -59.4381 -10.4391 -42.3022 -10.4392 30.8821 29.9774 -42.3022 29.9773 0.0761773 GPRESSAVG: 4066600 -59.7287 -11.8469 -39.4372 -8.4123 30.9803 29.6814 -43.0658 31.9151 0.581063 TIMING: 4066600 CPU: 12854.1, 0.00318102/step Wall: 12854.1, 0.00318102/step, 0.824768 hours remaining, 235.789062 MB of memory in use. ENERGY: 4066600 3878.8889 20523.7735 14511.7473 250.6789 -203639.0202 2582.5976 0.0000 0.0000 52129.7022 -109761.6319 299.5901 -161891.3341 -109406.6170 298.5786 91.5885 115.0422 761622.9767 -9.4933 -9.3891 PRESSURE: 4066800 -86.7692 76.3884 175.128 76.3883 231.663 113.797 175.126 113.797 -41.7497 GPRESSURE: 4066800 -8.49683 -71.086 113.853 107.556 267.692 129.729 168.318 80.3781 -64.0326 PRESSAVG: 4066800 -27.3464 16.0512 -20.8148 16.0512 43.2443 -43.7209 -20.8149 -43.7209 11.6021 GPRESSAVG: 4066800 -26.6923 17.8065 -22.7976 14.4037 43.3442 -42.6628 -18.7556 -42.7317 11.3426 TIMING: 4066800 CPU: 12854.7, 0.00316331/step Wall: 12854.7, 0.00316331/step, 0.820001 hours remaining, 235.789062 MB of memory in use. ENERGY: 4066800 4001.9858 20338.7712 14517.9878 256.5347 -203083.2732 2377.7203 0.0000 0.0000 51905.0130 -109685.2604 298.2988 -161590.2734 -109328.2949 298.5685 34.3815 65.0541 760105.7652 9.1667 9.3315 PRESSURE: 4067000 101.892 -29.7044 104.305 -29.7041 -57.8034 293.488 104.304 293.487 71.5297 GPRESSURE: 4067000 108.128 -27.3169 53.9739 -136.717 19.7852 216.905 106.281 222.482 79.2995 PRESSAVG: 4067000 -31.5153 13.1396 -35.781 13.1397 -2.39504 10.4831 -35.7811 10.4831 -1.13791 GPRESSAVG: 4067000 -31.5852 14.3064 -35.5352 12.7716 -2.39579 10.6811 -37.2446 9.50134 -1.56411 TIMING: 4067000 CPU: 12855.4, 0.00315713/step Wall: 12855.4, 0.00315713/step, 0.818224 hours remaining, 235.777344 MB of memory in use. ENERGY: 4067000 3938.7500 20360.1427 14559.3428 271.9231 -202993.7083 2416.8108 0.0000 0.0000 51693.1717 -109753.5672 297.0814 -161446.7389 -109391.7965 298.0482 38.5396 69.0710 761267.4062 -11.6827 -11.8484 PRESSURE: 4067200 114.575 -185.259 -112.877 -185.26 4.74313 -24.7015 -112.876 -24.7014 -429.38 GPRESSURE: 4067200 145.543 -111.925 -102.349 -27.0829 44.4453 -58.4161 -87.4119 -47.038 -403.027 PRESSAVG: 4067200 -13.6967 -0.11884 4.81551 -0.118813 -30.1858 -14.6464 4.81551 -14.6464 23.0938 GPRESSAVG: 4067200 -14.1088 -0.0707945 6.37803 0.459801 -31.017 -16.3842 2.77355 -15.1283 23.9053 TIMING: 4067200 CPU: 12856, 0.00317347/step Wall: 12856, 0.00317347/step, 0.822281 hours remaining, 235.777344 MB of memory in use. ENERGY: 4067200 3916.3449 20472.7832 14512.6687 255.6622 -202887.3778 2134.0780 0.0000 0.0000 51905.9857 -109689.8551 298.3044 -161595.8408 -109330.6678 298.2513 -103.3540 -71.0127 759899.2005 -6.9295 -7.0735 PRESSURE: 4067400 -241.707 46.0058 210.304 46.005 58.2067 -39.4049 210.304 -39.4049 -191.803 GPRESSURE: 4067400 -127.298 90.7409 143.877 23.2687 41.7491 -36.2912 253.919 -130.943 -217.981 PRESSAVG: 4067400 33.4315 -22.2651 28.9569 -22.2651 4.76411 -28.3686 28.9569 -28.3687 6.17555 GPRESSAVG: 4067400 34.7234 -23.2867 27.4069 -21.3926 3.25848 -29.1271 30.4624 -27.7597 6.35182 TIMING: 4067400 CPU: 12856.6, 0.00315946/step Wall: 12856.6, 0.00315946/step, 0.818476 hours remaining, 235.789062 MB of memory in use. ENERGY: 4067400 3994.8150 20486.2764 14567.5997 251.0260 -203134.4917 2216.9823 0.0000 0.0000 52022.8237 -109594.9685 298.9759 -161617.7922 -109226.7723 298.1997 -125.1010 -101.1764 759941.0605 14.7904 14.7779 PRESSURE: 4067600 88.7509 42.8889 -0.500425 42.8889 -80.4848 278.955 -0.499884 278.955 -161.551 GPRESSURE: 4067600 96.2527 162.392 49.7099 -12.7082 -21.6805 328.184 58.7767 219.476 -151.146 PRESSAVG: 4067600 43.0465 -18.6481 -13.8411 -18.6481 5.50826 -25.528 -13.8411 -25.528 -7.4284 GPRESSAVG: 4067600 41.1601 -19.3582 -12.128 -19.6713 7.72853 -25.3799 -12.8711 -25.7779 -8.0114 TIMING: 4067600 CPU: 12857.3, 0.00316833/step Wall: 12857.3, 0.00316833/step, 0.820597 hours remaining, 235.789062 MB of memory in use. ENERGY: 4067600 3941.9477 20529.8354 14471.4754 257.7872 -203360.9834 2441.9775 0.0000 0.0000 51978.9487 -109739.0115 298.7237 -161717.9602 -109381.0799 298.7945 -51.0950 -25.5245 759260.9549 13.7088 13.6258 PRESSURE: 4067800 173.701 -77.3624 178.861 -77.3628 34.5812 -269.475 178.861 -269.476 321.804 GPRESSURE: 4067800 194.189 12.2316 184.721 -49.169 76.9779 -199.287 137.734 -181.273 357.353 PRESSAVG: 4067800 29.0948 -52.2326 6.2855 -52.2326 -29.4981 -36.792 6.28542 -36.792 22.4086 GPRESSAVG: 4067800 31.0465 -50.4274 4.38096 -49.3262 -30.8118 -36.429 7.57149 -36.4606 22.3661 TIMING: 4067800 CPU: 12857.9, 0.00317915/step Wall: 12857.9, 0.00317915/step, 0.823222 hours remaining, 235.789062 MB of memory in use. ENERGY: 4067800 3993.7952 20393.1018 14583.5261 239.4666 -203372.8903 2625.3482 0.0000 0.0000 52130.3120 -109407.3404 299.5936 -161537.6524 -109048.1861 298.6743 176.6951 209.5065 760574.7939 7.3351 7.5336 PRESSURE: 4068000 -66.3887 5.65978 97.2372 5.65958 -295.284 62.6993 97.2375 62.6994 -112.06 GPRESSURE: 4068000 35.554 29.4306 65.1002 33.1839 -327.009 -22.3074 109.175 106.344 -94.6264 PRESSAVG: 4068000 59.6496 61.8303 -10.6263 61.8302 -36.3848 20.1937 -10.6263 20.1937 -27.67 GPRESSAVG: 4068000 60.8015 59.5817 -10.7889 58.7953 -36.2961 20.4413 -13.1534 20.6651 -28.5887 TIMING: 4068000 CPU: 12858.5, 0.00317051/step Wall: 12858.5, 0.00317051/step, 0.82081 hours remaining, 235.789062 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: 4068000 4027.1646 20416.6583 14603.0083 238.7482 -203216.9782 2360.1973 0.0000 0.0000 52180.1607 -109391.0408 299.8801 -161571.2015 -109022.6687 299.3354 -157.9109 -128.6937 760413.7835 -1.4684 -1.3611 PRESSURE: 4068200 -151.299 -91.8449 -75.7552 -91.8453 -84.6917 7.00885 -75.7543 7.00874 84.4776 GPRESSURE: 4068200 -122.277 -10.014 -19.5146 -84.4789 -64.3841 39.4551 -123.987 -4.20162 119.08 PRESSAVG: 4068200 30.9456 60.2215 3.63589 60.2215 -29.2083 26.9106 3.63583 26.9107 16.6296 GPRESSAVG: 4068200 30.0612 62.0811 3.92663 59.8772 -29.208 27.4768 3.71979 26.2177 18.0639 TIMING: 4068200 CPU: 12859.2, 0.0031648/step Wall: 12859.2, 0.0031648/step, 0.819155 hours remaining, 235.789062 MB of memory in use. ENERGY: 4068200 3949.6164 20406.5583 14526.9781 236.9526 -203394.2422 2481.6855 0.0000 0.0000 52261.3788 -109531.0726 300.3469 -161792.4514 -109162.1990 299.0848 -50.5043 -22.5270 759238.5439 6.1223 6.3057 LDB: ============= START OF LOAD BALANCING ============== 12871.7 LDB: ============== END OF LOAD BALANCING =============== 12871.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12871.7 LDB: ============= START OF LOAD BALANCING ============== 12872 LDB: Largest compute 7076 load 0.034386 is 17.6% of average load 0.195553 LDB: Average compute 0.004393 is 2.2% of average load 0.195553 LDB: TIME 12872 LOAD: AVG 0.195553 MAX 0.216062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.25 MB LDB: TIME 12872 LOAD: AVG 0.195553 MAX 0.216062 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: TIME 12872 LOAD: AVG 0.195553 MAX 0.216062 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.312 MB LDB: ============== END OF LOAD BALANCING =============== 12872 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12872 PRESSURE: 4068400 246.874 -48.0505 -39.5684 -48.0508 46.9489 -116.673 -39.5684 -116.674 -13.2607 GPRESSURE: 4068400 220.67 -8.9555 -55.8134 -49.499 98.289 -134.576 -72.7183 -108.479 54.7889 PRESSAVG: 4068400 67.4995 13.5741 -38.0272 13.5741 27.6431 -17.1792 -38.0272 -17.1792 36.1182 GPRESSAVG: 4068400 68.0872 13.8716 -36.739 13.9873 26.5831 -17.8246 -40.5607 -16.7685 36.0183 TIMING: 4068400 CPU: 12859.8, 0.00323108/step Wall: 12859.8, 0.00323108/step, 0.836132 hours remaining, 234.476562 MB of memory in use. ENERGY: 4068400 3967.7907 20591.7254 14489.0301 225.2605 -203298.5285 2381.8553 0.0000 0.0000 52096.8083 -109546.0583 299.4011 -161642.8665 -109188.0485 298.6486 93.5207 124.5825 759592.1754 43.7536 43.5628 PRESSURE: 4068600 -423.071 119.26 6.5947 119.261 -496.002 -241.614 6.59424 -241.614 -649.342 GPRESSURE: 4068600 -301.467 142.167 -19.7858 88.8846 -433.986 -288.53 -33.9589 -233.189 -736.592 PRESSAVG: 4068600 -15.9891 32.3844 3.39122 32.3844 5.22001 -23.4414 3.39121 -23.4415 7.95857 GPRESSAVG: 4068600 -17.1077 30.532 3.09252 32.1309 7.33148 -24.4071 4.65217 -23.0303 7.32891 TIMING: 4068600 CPU: 12860.5, 0.00316454/step Wall: 12860.5, 0.00316454/step, 0.818738 hours remaining, 234.679688 MB of memory in use. ENERGY: 4068600 3955.9413 20357.3601 14485.3245 227.1004 -202957.0435 2218.2940 0.0000 0.0000 52167.4038 -109545.6194 299.8068 -161713.0233 -109185.1406 299.0047 -522.8049 -490.6817 762297.6221 -0.9368 -0.8158 PRESSURE: 4068800 169.176 235.476 -136.31 235.476 -65.1028 93.7388 -136.31 93.7382 -53.4807 GPRESSURE: 4068800 138.46 215.049 -330.226 271.738 -75.5949 121.153 -37.6172 123.414 51.8546 PRESSAVG: 4068800 -9.85444 -16.4392 -45.4298 -16.4392 -60.0733 -31.8236 -45.4298 -31.8236 8.87722 GPRESSAVG: 4068800 -8.8198 -15.4343 -46.5628 -15.1545 -60.7677 -31.0185 -42.8294 -30.7196 8.41287 TIMING: 4068800 CPU: 12861.1, 0.00318035/step Wall: 12861.1, 0.00318035/step, 0.822651 hours remaining, 234.882812 MB of memory in use. ENERGY: 4068800 3934.2212 20440.5437 14546.7939 245.7556 -203227.0929 2578.9040 0.0000 0.0000 51940.6326 -109540.2418 298.5035 -161480.8744 -109180.4111 298.9579 16.8641 38.2399 759922.5015 -20.3502 -20.3915 PRESSURE: 4069000 -147.45 -76.8791 107.182 -76.8793 477.474 -167.943 107.182 -167.944 127.813 GPRESSURE: 4069000 -58.8163 -130.041 54.7065 -140.273 445.219 -163.044 92.8707 -199.377 166.299 PRESSAVG: 4069000 16.9157 5.26116 -12.3485 5.26115 -7.03689 -29.4552 -12.3485 -29.4552 -0.775329 GPRESSAVG: 4069000 16.7565 4.76304 -12.8475 4.39277 -7.97755 -28.5114 -12.8327 -34.1638 0.466352 TIMING: 4069000 CPU: 12861.7, 0.00318454/step Wall: 12861.7, 0.00318454/step, 0.823558 hours remaining, 234.882812 MB of memory in use. ENERGY: 4069000 3927.9318 20326.3187 14464.6833 243.8458 -203045.0746 2659.5966 0.0000 0.0000 51939.3387 -109483.3598 298.4961 -161422.6985 -109115.4775 298.6799 152.6125 184.2337 760360.4006 3.0345 3.0818 PRESSURE: 4069200 -126.214 -83.3037 98.5102 -83.3037 28.2785 -29.1992 98.5092 -29.1989 -491.586 GPRESSURE: 4069200 -72.9033 61.8924 24.5604 -152.32 79.8644 -32.2298 61.9013 13.7442 -508.196 PRESSAVG: 4069200 -60.6813 19.0154 -41.7136 19.0154 -12.4204 -33.082 -41.7137 -33.0819 -4.4544 GPRESSAVG: 4069200 -61.3763 19.2639 -41.1138 18.0078 -11.1885 -33.6138 -41.9427 -29.9118 -5.33445 TIMING: 4069200 CPU: 12862.4, 0.00317232/step Wall: 12862.4, 0.00317232/step, 0.820222 hours remaining, 234.882812 MB of memory in use. ENERGY: 4069200 3965.3400 20347.9878 14440.0248 248.2628 -203297.8445 2487.5814 0.0000 0.0000 52308.8028 -109499.8449 300.6194 -161808.6477 -109139.1032 299.0772 -196.5072 -167.0785 761511.3502 -25.8520 -25.9664 PRESSURE: 4069400 9.43832 153.888 64.4139 153.888 -228.353 -63.5397 64.4134 -63.5392 -275.908 GPRESSURE: 4069400 36.2248 50.6012 90.1888 142.473 -152.854 -47.2627 87.9497 -146.148 -282.913 PRESSAVG: 4069400 12.8697 -8.23087 16.6901 -8.23081 3.59213 21.9928 16.6901 21.9928 14.0907 GPRESSAVG: 4069400 13.6907 -10.284 17.8101 -9.32503 3.32676 22.3583 16.9281 20.3274 13.6297 TIMING: 4069400 CPU: 12863, 0.0031871/step Wall: 12863, 0.0031871/step, 0.823864 hours remaining, 234.882812 MB of memory in use. ENERGY: 4069400 3923.1183 20413.5187 14497.0812 260.2970 -202681.1915 2112.0328 0.0000 0.0000 52213.1384 -109262.0052 300.0696 -161475.1436 -108893.2043 299.4889 -164.9409 -133.1805 763393.4635 10.1842 10.2157 PRESSURE: 4069600 -405.368 26.3808 -25.3029 26.3808 42.0605 -127.355 -25.3032 -127.356 234.063 GPRESSURE: 4069600 -311.847 14.4851 59.7078 13.7691 -14.0793 -98.8484 25.7892 -89.7885 276.572 PRESSAVG: 4069600 27.813 7.97433 52.8676 7.97437 -10.753 -33.8259 52.8676 -33.8258 0.435017 GPRESSAVG: 4069600 26.0282 10.9751 52.5416 7.27492 -11.5961 -32.8102 52.1506 -35.0336 2.42694 TIMING: 4069600 CPU: 12863.6, 0.0031882/step Wall: 12863.6, 0.0031882/step, 0.823974 hours remaining, 234.882812 MB of memory in use. ENERGY: 4069600 4004.4383 20377.6055 14597.1382 266.1932 -203314.7105 2621.9560 0.0000 0.0000 51984.8400 -109462.5394 298.7576 -161447.3793 -109096.0322 299.8662 -43.0814 -16.4515 761866.4080 5.8316 5.6197 PRESSURE: 4069800 100.25 222.87 -117.737 222.87 -194.488 40.0615 -117.736 40.0605 -22.6938 GPRESSURE: 4069800 119.1 382.869 -165.924 222.169 -39.4368 -49.1385 -79.4337 155.976 -117.514 PRESSAVG: 4069800 -20.0409 -2.34634 34.3476 -2.34631 30.0734 30.3197 34.3476 30.3198 21.9025 GPRESSAVG: 4069800 -18.7669 -3.26742 33.3444 -0.053167 30.3168 27.5445 34.942 32.0235 20.4521 TIMING: 4069800 CPU: 12864.3, 0.00318565/step Wall: 12864.3, 0.00318565/step, 0.823137 hours remaining, 234.882812 MB of memory in use. ENERGY: 4069800 3994.2541 20424.1938 14468.4662 239.3247 -202716.4212 2358.3229 0.0000 0.0000 52002.5472 -109229.3122 298.8594 -161231.8594 -108862.4562 299.7718 -38.9773 -12.6171 761585.5147 10.6450 10.6673 PRESSURE: 4070000 -239.488 -103.05 -12.0053 -103.049 450.585 -42.1183 -12.0054 -42.1192 116.067 GPRESSURE: 4070000 -131.664 -55.9838 68.7573 -168.934 440.316 -27.1575 23.5083 -88.7254 102.401 PRESSAVG: 4070000 -36.4514 4.8803 -20.2056 4.88039 19.1936 26.8534 -20.2057 26.8533 8.59232 GPRESSAVG: 4070000 -36.2403 3.67227 -18.8667 3.25102 19.9629 28.5224 -19.6524 26.2257 7.68059 TIMING: 4070000 CPU: 12864.9, 0.00319806/step Wall: 12864.9, 0.00319806/step, 0.826167 hours remaining, 234.882812 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: 4070000 4017.5321 20554.1171 14547.1530 232.4154 -203287.4051 2721.7268 0.0000 0.0000 52049.4284 -109165.0324 299.1288 -161214.4608 -108804.8736 299.4688 109.0545 137.0178 762044.6579 -2.8885 -2.8656 PRESSURE: 4070200 381.378 9.91153 -74.67 9.91229 60.7359 -171.217 -74.6706 -171.217 -123.135 GPRESSURE: 4070200 424.52 27.0681 -65.894 -107.386 38.9594 -193.896 -8.9791 -321.164 -63.4724 PRESSAVG: 4070200 12.9219 -7.04925 12.6004 -7.04918 6.97444 -47.3294 12.6004 -47.3293 -16.8462 GPRESSAVG: 4070200 11.6608 -6.94975 11.6747 -4.18843 5.76337 -48.0659 11.1509 -47.8513 -14.9934 TIMING: 4070200 CPU: 12865.5, 0.00317101/step Wall: 12865.5, 0.00317101/step, 0.819 hours remaining, 234.882812 MB of memory in use. ENERGY: 4070200 3937.0583 20480.7802 14458.8660 270.3874 -202801.5163 2313.0706 0.0000 0.0000 52225.0018 -109116.3520 300.1378 -161341.3538 -108748.8104 299.8494 106.3263 133.3355 762583.3662 1.0167 0.8102 PRESSURE: 4070400 -71.7476 20.707 -96.5038 20.7073 -158.403 -77.6956 -96.5027 -77.6958 -37.3623 GPRESSURE: 4070400 -41.8277 40.3101 -98.5654 -57.532 -66.0978 -111.58 -188.243 -14.2172 -58.4967 PRESSAVG: 4070400 -34.3394 30.8316 -12.6667 30.8315 -9.07211 -16.7281 -12.6666 -16.7282 20.2761 GPRESSAVG: 4070400 -33.7939 32.0572 -12.047 28.6033 -9.53238 -16.085 -12.8171 -15.6059 19.9469 TIMING: 4070400 CPU: 12866.2, 0.00317053/step Wall: 12866.2, 0.00317053/step, 0.818702 hours remaining, 234.882812 MB of memory in use. ENERGY: 4070400 3955.2327 20628.6054 14517.8688 261.6483 -203057.1712 2426.0770 0.0000 0.0000 51899.1207 -109368.6184 298.2650 -161267.7391 -109007.7747 299.8129 -89.1709 -55.4740 761016.7699 -7.7118 -7.7931 PRESSURE: 4070600 339.525 128.038 135.913 128.038 218.937 -39.8728 135.912 -39.8737 -36.3516 GPRESSURE: 4070600 406.75 260.231 201.833 168.566 254.103 -75.877 131.285 -3.30283 -52.5806 PRESSAVG: 4070600 -8.02969 7.54373 11.8639 7.54367 19.4871 -37.2084 11.864 -37.2085 -10.9101 GPRESSAVG: 4070600 -8.01297 6.79498 10.8999 9.26668 20.8456 -37.9849 10.3732 -36.7412 -12.0058 TIMING: 4070600 CPU: 12866.8, 0.0031566/step Wall: 12866.8, 0.0031566/step, 0.814928 hours remaining, 234.882812 MB of memory in use. ENERGY: 4070600 3924.3900 20654.3938 14513.5226 235.0736 -203204.9406 2472.2639 0.0000 0.0000 52211.3595 -109193.9372 300.0594 -161405.2967 -108831.0417 299.8968 174.0369 202.7573 759920.0324 0.1824 0.2756 PRESSURE: 4070800 -150.293 -112.57 -70.8468 -112.571 -298.517 -18.8518 -70.8468 -18.8521 117.913 GPRESSURE: 4070800 -81.7273 -60.5205 -46.7527 -209.553 -264.736 -64.4686 -18.9069 85.9238 113.354 PRESSAVG: 4070800 -30.9904 -6.49248 11.5521 -6.49242 -0.182641 -39.4539 11.5521 -39.454 0.559945 GPRESSAVG: 4070800 -30.3314 -6.02588 10.1771 -9.21332 -1.65845 -38.8175 13.5258 -42.089 1.31074 TIMING: 4070800 CPU: 12867.4, 0.0031627/step Wall: 12867.4, 0.0031627/step, 0.816327 hours remaining, 234.882812 MB of memory in use. ENERGY: 4070800 3914.1918 20511.2110 14449.9621 253.2335 -202839.1864 2364.7691 0.0000 0.0000 52212.8956 -109132.9233 300.0682 -161345.8188 -108769.9831 299.8526 -110.2990 -77.7032 761570.2523 -10.2044 -10.2264 PRESSURE: 4071000 9.93797 91.8957 89.4029 91.8956 161.709 194.588 89.403 194.588 508.763 GPRESSURE: 4071000 45.3604 80.6759 -35.066 30.5998 191.325 121.228 102.176 87.5462 510.467 PRESSAVG: 4071000 -55.9382 -56.825 -32.1175 -56.825 73.2026 -25.7646 -32.1175 -25.7646 -3.8667 GPRESSAVG: 4071000 -58.1403 -58.1478 -30.3214 -54.4351 75.2291 -27.0717 -31.9806 -27.4835 -3.06365 TIMING: 4071000 CPU: 12868.1, 0.00315993/step Wall: 12868.1, 0.00315993/step, 0.815438 hours remaining, 234.882812 MB of memory in use. ENERGY: 4071000 3979.3424 20621.9490 14494.5951 238.7536 -203082.6180 2537.5387 0.0000 0.0000 52015.8573 -109194.5818 298.9358 -161210.4392 -108839.9825 299.4004 226.8032 249.0510 760990.9626 4.4659 4.6751 PRESSURE: 4071200 51.9064 50.8516 -106.041 50.852 -224.484 -57.6923 -106.042 -57.693 259.789 GPRESSURE: 4071200 62.9461 70.712 -137.434 116.689 -154.16 -119.728 -157.403 110.652 259.987 PRESSAVG: 4071200 -31.9763 -45.5091 -27.9786 -45.5091 33.6085 35.0783 -27.9786 35.0784 -17.9229 GPRESSAVG: 4071200 -30.1076 -45.6956 -30.2332 -45.5248 32.6743 34.4083 -29.0774 40.9704 -19.2354 TIMING: 4071200 CPU: 12868.7, 0.00316499/step Wall: 12868.7, 0.00316499/step, 0.816567 hours remaining, 234.882812 MB of memory in use. ENERGY: 4071200 4028.1314 20567.8678 14464.3364 238.0136 -203244.0147 2445.1740 0.0000 0.0000 52358.7267 -109141.7648 300.9063 -161500.4915 -108783.5679 299.6981 29.0703 56.2576 761010.4048 -5.4302 -5.5562 PRESSURE: 4071400 9.91131 47.6765 64.191 47.676 77.3166 -265.771 64.1911 -265.771 -561.562 GPRESSURE: 4071400 99.3377 61.9364 18.8461 -29.6994 107.068 -204.461 -0.0837211 -228.656 -585.114 PRESSAVG: 4071400 14.1288 7.23213 -14.6515 7.23213 -16.1607 -59.3798 -14.6515 -59.3798 37.577 GPRESSAVG: 4071400 12.3336 7.05239 -12.092 5.95332 -16.3216 -57.9226 -13.5823 -60.6647 39.5634 TIMING: 4071400 CPU: 12869.3, 0.00316655/step Wall: 12869.3, 0.00316655/step, 0.816793 hours remaining, 234.882812 MB of memory in use. ENERGY: 4071400 4032.3263 20462.5711 14521.5897 236.9710 -202990.0187 2596.7955 0.0000 0.0000 51896.6855 -109243.0797 298.2510 -161139.7652 -108882.1119 299.7818 -158.1115 -126.2360 761401.5717 11.8484 11.8585 PRESSURE: 4071600 -332.602 -1.75705 -105.217 -1.75639 11.8848 -92.4931 -105.218 -92.4938 -0.926948 GPRESSURE: 4071600 -201.337 -99.9361 -73.9405 0.869136 -24.4754 -154.823 -60.6749 -17.0363 9.69213 PRESSAVG: 4071600 -20.8214 -6.88969 34.0243 -6.88971 19.0793 -57.5999 34.0242 -57.5999 2.40923 GPRESSAVG: 4071600 -19.0384 -7.43014 33.6204 -6.72729 18.8592 -58.1889 33.2479 -59.4238 0.963697 TIMING: 4071600 CPU: 12870, 0.00315728/step Wall: 12870, 0.00315728/step, 0.814227 hours remaining, 234.882812 MB of memory in use. ENERGY: 4071600 3991.1870 20404.9591 14486.5071 243.5627 -203276.0696 2877.5257 0.0000 0.0000 52113.1614 -109159.1666 299.4951 -161272.3280 -108797.3979 299.5199 -107.2149 -72.0401 763234.0056 0.2224 0.2615 PRESSURE: 4071800 199.032 169.556 89.564 169.555 363.528 -108.16 89.5636 -108.159 72.7997 GPRESSURE: 4071800 249.061 178.611 25.4016 136.962 286.745 -87.5827 4.408 -83.3716 170.43 PRESSAVG: 4071800 -62.295 -6.15067 23.0422 -6.15067 41.7505 -42.3584 23.0423 -42.3584 2.246 GPRESSAVG: 4071800 -62.9243 -5.53484 21.4327 -6.22543 42.4063 -43.4729 22.9279 -41.1493 2.23344 TIMING: 4071800 CPU: 12870.6, 0.003162/step Wall: 12870.6, 0.003162/step, 0.81527 hours remaining, 234.882812 MB of memory in use. ENERGY: 4071800 4032.0660 20582.0427 14446.7345 250.6542 -203497.2558 2814.2123 0.0000 0.0000 52188.1511 -109183.3950 299.9260 -161371.5461 -108818.4156 299.6929 211.7865 235.4121 763165.0712 -6.0995 -6.0948 PRESSURE: 4072000 -225.747 -103.724 -252.213 -103.725 -370.789 -11.4951 -252.213 -11.4943 88.739 GPRESSURE: 4072000 -205.919 99.4614 -211.502 -4.80072 -290.58 -35.1001 -149.848 -135.647 82.0372 PRESSAVG: 4072000 -0.691744 26.637 -34.7243 26.637 37.6674 1.26569 -34.7243 1.26566 -16.5132 GPRESSAVG: 4072000 -0.472356 28.4222 -33.7717 27.1375 37.6819 1.61001 -35.488 -1.55872 -16.5378 TIMING: 4072000 CPU: 12871.2, 0.00316395/step Wall: 12871.2, 0.00316395/step, 0.815597 hours remaining, 234.882812 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: 4072000 4012.2480 20513.9187 14522.9259 250.6062 -202857.7367 2550.7153 0.0000 0.0000 52006.2502 -109001.0724 298.8806 -161007.3226 -108639.5529 299.9433 -169.2656 -138.1537 765059.5713 6.8208 6.8906 PRESSURE: 4072200 62.6538 31.545 -231.682 31.5466 82.43 -164.067 -231.683 -164.067 -327.821 GPRESSURE: 4072200 146.385 106.92 -276.629 -20.7447 9.44286 -146.671 -126.677 -54.5824 -237.919 PRESSAVG: 4072200 -35.6057 -42.2427 -12.1211 -42.2426 56.3199 12.5057 -12.1212 12.5056 5.30593 GPRESSAVG: 4072200 -35.0695 -43.1127 -11.76 -46.1051 56.1545 14.0646 -9.52921 14.7621 5.43 TIMING: 4072200 CPU: 12871.9, 0.00319956/step Wall: 12871.9, 0.00319956/step, 0.824599 hours remaining, 234.882812 MB of memory in use. ENERGY: 4072200 3972.0234 20492.4547 14508.3700 232.3269 -203319.9971 2681.1101 0.0000 0.0000 52024.2433 -109409.4688 298.9840 -161433.7121 -109046.4280 299.1929 -60.9123 -27.3636 763534.1153 8.6734 8.8383 LDB: ============= START OF LOAD BALANCING ============== 12884.4 LDB: ============== END OF LOAD BALANCING =============== 12884.4 LDB: =============== DONE WITH MIGRATION ================ 12884.4 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 12884.7 LDB: Largest compute 7075 load 0.035580 is 18.2% of average load 0.195651 LDB: Average compute 0.004398 is 2.2% of average load 0.195651 LDB: TIME 12884.7 LOAD: AVG 0.195651 MAX 0.213399 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.613 MB LDB: TIME 12884.7 LOAD: AVG 0.195651 MAX 0.213399 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.688 MB LDB: TIME 12884.7 LOAD: AVG 0.195651 MAX 0.213399 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.688 MB LDB: ============== END OF LOAD BALANCING =============== 12884.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12884.7 PRESSURE: 4072400 36.5779 243.622 198.889 243.622 -172.11 120.49 198.889 120.489 -112.348 GPRESSURE: 4072400 32.8204 258.889 234.604 215.485 -108.066 103.087 143.832 174.61 -106.361 PRESSAVG: 4072400 -60.2092 -12.7687 7.66895 -12.7687 -52.6031 28.2238 7.66888 28.2238 15.6513 GPRESSAVG: 4072400 -60.4655 -11.5345 6.4778 -9.81118 -52.3757 27.2562 5.7361 30.585 15.5919 TIMING: 4072400 CPU: 12872.5, 0.00324926/step Wall: 12872.5, 0.00324926/step, 0.837226 hours remaining, 236.425781 MB of memory in use. ENERGY: 4072400 3998.0740 20573.1928 14525.7614 248.4946 -203177.2962 2521.1043 0.0000 0.0000 52016.1516 -109294.5175 298.9375 -161310.6692 -108940.1109 298.9852 -82.6267 -60.5356 763191.1992 -32.3870 -32.4164 PRESSURE: 4072600 111.673 38.0463 -24.1249 38.0461 -74.4288 -226.894 -24.1244 -226.894 -118.802 GPRESSURE: 4072600 253.153 -8.34801 -77.4757 238.264 -120.173 -157.25 39.8276 -86.8876 -145.949 PRESSAVG: 4072600 -18.6749 12.8494 37.2318 12.8494 25.7775 -36.6 37.2317 -36.6001 2.19963 GPRESSAVG: 4072600 -18.12 11.0817 39.7476 16.7178 24.6226 -37.127 37.6076 -39.0876 2.59652 TIMING: 4072600 CPU: 12873.2, 0.00316967/step Wall: 12873.2, 0.00316967/step, 0.816542 hours remaining, 236.628906 MB of memory in use. ENERGY: 4072600 4019.7861 20677.5594 14508.6355 247.3481 -203642.7029 2786.8306 0.0000 0.0000 51717.8196 -109684.7236 297.2230 -161402.5432 -109331.8608 299.0962 -27.1858 -4.3229 761745.3873 3.1008 3.0331 PRESSURE: 4072800 144.008 7.77751 -319.89 7.77788 -198.806 -97.096 -319.89 -97.0961 -403.921 GPRESSURE: 4072800 119.007 -40.2531 -296.011 -56.2504 -205.418 -122.239 -394.294 -16.6333 -271.724 PRESSAVG: 4072800 11.6537 14.1477 4.30125 14.1477 3.83719 -35.0874 4.30125 -35.0873 -7.74929 GPRESSAVG: 4072800 11.6988 13.2882 4.54743 11.2387 3.80764 -33.4377 3.25268 -35.1532 -7.3934 TIMING: 4072800 CPU: 12873.8, 0.00318399/step Wall: 12873.8, 0.00318399/step, 0.820054 hours remaining, 236.628906 MB of memory in use. ENERGY: 4072800 3969.5904 20539.1711 14550.1454 264.9066 -203550.7713 2588.0223 0.0000 0.0000 51708.8256 -109930.1099 297.1713 -161638.9355 -109574.5478 298.2440 -152.9066 -119.3781 762532.0776 2.5805 2.7043 PRESSURE: 4073000 222.749 183.426 122.868 183.426 -251.675 0.257927 122.867 0.257846 364.219 GPRESSURE: 4073000 217.95 169.252 190.002 178.076 -199.578 57.2106 90.7349 86.8511 379.036 PRESSAVG: 4073000 25.9708 13.6678 -28.684 13.6677 -32.6301 -15.6846 -28.6841 -15.6846 26.7037 GPRESSAVG: 4073000 26.4014 14.7491 -30.4014 13.8015 -33.1318 -16.8225 -28.2311 -16.1492 26.0438 TIMING: 4073000 CPU: 12874.4, 0.00316676/step Wall: 12874.4, 0.00316676/step, 0.81544 hours remaining, 236.628906 MB of memory in use. ENERGY: 4073000 3972.1001 20435.7103 14474.7180 266.4571 -203839.5226 2839.9896 0.0000 0.0000 51888.6052 -109961.9425 298.2045 -161850.5476 -109599.0594 297.8921 111.7644 132.4695 761073.9600 6.6815 6.4378 PRESSURE: 4073200 399.529 -202.747 117.119 -202.746 171.973 -51.0623 117.119 -51.0614 278.86 GPRESSURE: 4073200 378.927 -180.978 130.999 -107.421 245.804 -111.928 1.33803 -23.729 307.748 PRESSAVG: 4073200 29.7713 27.3008 -16.2269 27.3009 16.6813 6.48328 -16.2269 6.48327 21.9509 GPRESSAVG: 4073200 28.5046 25.2262 -16.2425 28.588 17.9384 7.92583 -16.3128 8.23266 21.7585 TIMING: 4073200 CPU: 12875.1, 0.00316412/step Wall: 12875.1, 0.00316412/step, 0.814584 hours remaining, 236.695312 MB of memory in use. ENERGY: 4073200 3960.5118 20418.0206 14507.1065 238.0922 -203542.3174 2726.6816 0.0000 0.0000 51976.5252 -109715.3794 298.7098 -161691.9046 -109355.1251 298.5042 283.4539 310.8262 759248.4062 22.8012 22.7338 PRESSURE: 4073400 23.7793 -24.8525 -48.2016 -24.8515 456.564 60.0364 -48.2014 60.0359 89.4402 GPRESSURE: 4073400 94.3504 127.353 -64.4772 -65.7601 470.316 175.264 114.949 -72.2046 82.6525 PRESSAVG: 4073400 -57.8608 -46.3056 -25.2838 -46.3056 53.7026 30.7066 -25.2838 30.7067 -12.4405 GPRESSAVG: 4073400 -57.1487 -45.4015 -26.4148 -46.2135 53.552 28.0599 -24.3298 30.3101 -12.8959 TIMING: 4073400 CPU: 12875.7, 0.00316042/step Wall: 12875.7, 0.00316042/step, 0.813458 hours remaining, 236.695312 MB of memory in use. ENERGY: 4073400 3914.3130 20557.9453 14533.4375 237.3981 -204061.8725 3072.8583 0.0000 0.0000 52180.3019 -109565.6185 299.8809 -161745.9204 -109201.4471 298.8171 189.9278 215.7729 759867.9325 -5.5329 -5.4975 PRESSURE: 4073600 193.763 159.125 -142.011 159.125 190.222 -79.9868 -142.011 -79.9861 134.077 GPRESSURE: 4073600 109.498 194.013 -92.9191 62.3955 290.84 -106.683 -165.449 -98.0481 182.995 PRESSAVG: 4073600 -69.2103 7.06466 20.5381 7.06466 20.0422 -23.9 20.5381 -23.8999 -18.1899 GPRESSAVG: 4073600 -69.9241 8.42251 21.9147 6.03918 20.654 -22.8698 20.4301 -22.1309 -17.8701 TIMING: 4073600 CPU: 12876.3, 0.00315057/step Wall: 12876.3, 0.00315057/step, 0.810746 hours remaining, 236.695312 MB of memory in use. ENERGY: 4073600 3903.8486 20524.6038 14529.2416 255.4284 -203319.8723 2535.2480 0.0000 0.0000 51980.9670 -109590.5349 298.7353 -161571.5019 -109228.3220 298.5753 172.6871 194.4444 760240.2910 -22.4527 -22.3801 PRESSURE: 4073800 311.836 311.871 -191.615 311.87 137.125 265.32 -191.613 265.321 -102.581 GPRESSURE: 4073800 311.899 213.853 -132.556 332.008 208.683 315.762 -108.252 150.764 -64.8902 PRESSAVG: 4073800 -22.158 52.2264 28.2299 52.2264 34.6484 -16.1562 28.2299 -16.1561 7.64327 GPRESSAVG: 4073800 -22.3028 50.9303 27.6776 52.1916 33.398 -15.9076 29.2508 -19.6278 9.23666 TIMING: 4073800 CPU: 12877, 0.00314674/step Wall: 12877, 0.00314674/step, 0.809586 hours remaining, 236.695312 MB of memory in use. ENERGY: 4073800 4001.5838 20710.0762 14479.2903 243.2549 -203488.4237 2824.7039 0.0000 0.0000 51843.3266 -109386.1880 297.9443 -161229.5146 -109034.2840 298.1731 115.4601 151.8973 760546.4712 6.7112 6.7773 PRESSURE: 4074000 -98.6227 -150.614 95.6564 -150.615 141.744 14.804 95.6564 14.8036 -180.503 GPRESSURE: 4074000 120.522 -166.008 153.048 -186.484 93.3513 55.0556 15.1509 8.69413 -293.211 PRESSAVG: 4074000 5.37156 20.7691 -51.8913 20.7691 28.128 -12.1834 -51.8914 -12.1835 0.266168 GPRESSAVG: 4074000 5.74689 23.5279 -51.1784 20.0185 29.0764 -13.15 -52.6202 -11.1571 -1.21199 TIMING: 4074000 CPU: 12877.6, 0.00317227/step Wall: 12877.6, 0.00317227/step, 0.815978 hours remaining, 236.695312 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: 4074000 3900.7630 20489.5652 14516.7513 244.5479 -203521.9090 2668.3073 0.0000 0.0000 52309.7442 -109392.2300 300.6248 -161701.9742 -109015.7383 299.0808 -45.7939 -26.4456 759959.7969 11.2553 11.2038 PRESSURE: 4074200 59.0755 -84.8215 -145.479 -84.8211 46.7384 -238.65 -145.479 -238.65 133.63 GPRESSURE: 4074200 115.755 -13.4015 -66.9617 -97.4979 94.1376 -227.974 -182.225 -164.431 93.7637 PRESSAVG: 4074200 -4.8521 -28.3667 49.2339 -28.3667 -15.2892 -27.7574 49.2339 -27.7573 -4.62224 GPRESSAVG: 4074200 -3.80683 -29.0583 48.3055 -29.0355 -15.8986 -26.8004 47.792 -24.8583 -4.96448 TIMING: 4074200 CPU: 12878.2, 0.00313941/step Wall: 12878.2, 0.00313941/step, 0.807351 hours remaining, 236.695312 MB of memory in use. ENERGY: 4074200 4047.0606 20501.7356 14429.2180 247.0947 -203262.1360 2654.4327 0.0000 0.0000 52066.4458 -109316.1487 299.2266 -161382.5945 -108952.0142 299.3959 79.8148 101.2187 762118.7629 -8.2545 -8.2233 PRESSURE: 4074400 -5.27477 -66.1814 59.2392 -66.1817 -373.651 28.2761 59.2396 28.2756 -71.6797 GPRESSURE: 4074400 4.48121 -103.518 59.0179 -34.7494 -258.872 -70.1114 114.985 -88.3752 -105.873 PRESSAVG: 4074400 -8.7203 -8.84236 -1.30694 -8.84229 29.4567 -8.04445 -1.30695 -8.04437 -21.305 GPRESSAVG: 4074400 -9.47536 -11.9343 -0.54183 -5.97193 30.6987 -8.79072 0.0649257 -8.70411 -21.4416 TIMING: 4074400 CPU: 12878.9, 0.00317001/step Wall: 12878.9, 0.00317001/step, 0.815044 hours remaining, 236.695312 MB of memory in use. ENERGY: 4074400 4055.0739 20400.5511 14451.9333 251.5988 -203442.8501 2500.8483 0.0000 0.0000 52285.0179 -109497.8268 300.4827 -161782.8447 -109129.3326 299.4901 -150.2020 -120.0880 760803.4270 -0.1895 -0.0727 PRESSURE: 4074600 506.677 -113.183 95.2327 -113.183 121.464 0.699719 95.2327 0.699956 -176.543 GPRESSURE: 4074600 511.854 7.37247 74.6313 -139.354 225.774 115.697 116.054 -6.10066 -202.189 PRESSAVG: 4074600 -3.45277 26.1485 -61.4026 26.1484 -6.67712 -10.3648 -61.4026 -10.3648 25.1031 GPRESSAVG: 4074600 -3.45232 30.508 -61.7049 25.861 -6.61927 -9.25909 -60.8957 -11.0347 25.3101 TIMING: 4074600 CPU: 12879.5, 0.00316577/step Wall: 12879.5, 0.00316577/step, 0.813778 hours remaining, 236.695312 MB of memory in use. ENERGY: 4074600 4007.5940 20518.6600 14436.4389 236.0210 -203402.4717 2860.5053 0.0000 0.0000 51810.1509 -109533.1016 297.7536 -161343.2525 -109176.7406 298.9895 150.5328 178.4799 762425.4566 4.9911 5.0795 PRESSURE: 4074800 212.52 -258.233 75.9119 -258.233 -99.9445 43.7396 75.9123 43.7399 -294.953 GPRESSURE: 4074800 150.528 -225.436 88.0729 -220.63 -106.877 128.441 105.785 -10.7003 -146.675 PRESSAVG: 4074800 -20.3107 7.42287 15.9496 7.42284 7.86097 31.8366 15.9496 31.8366 -22.6924 GPRESSAVG: 4074800 -19.6319 6.47347 17.4808 6.43378 7.20268 32.8708 13.8502 29.562 -22.3892 TIMING: 4074800 CPU: 12880.1, 0.00316504/step Wall: 12880.1, 0.00316504/step, 0.813416 hours remaining, 236.695312 MB of memory in use. ENERGY: 4074800 4015.5154 20522.5142 14516.0965 237.2280 -203280.2550 2538.9532 0.0000 0.0000 52128.0116 -109321.9361 299.5804 -161449.9477 -108965.6297 299.3059 -60.7925 -34.3413 762190.3350 -11.7140 -11.6062 PRESSURE: 4075000 255.654 114.335 250.826 114.335 42.8251 314.098 250.827 314.097 221.407 GPRESSURE: 4075000 151.375 41.0786 175.746 150.589 180.355 393.464 244.054 337.915 272.469 PRESSAVG: 4075000 -47.9118 0.0817889 -15.3637 0.0817934 61.1969 -17.4252 -15.3637 -17.4253 -1.99268 GPRESSAVG: 4075000 -49.3276 0.408672 -14.2044 1.04805 61.7352 -17.1796 -15.2491 -15.9612 -1.28764 TIMING: 4075000 CPU: 12880.8, 0.00316447/step Wall: 12880.8, 0.00316447/step, 0.813094 hours remaining, 236.695312 MB of memory in use. ENERGY: 4075000 3928.0079 20438.1340 14488.2105 234.3420 -203794.4465 3038.8371 0.0000 0.0000 52270.2982 -109396.6168 300.3981 -161666.9150 -109013.4602 299.7646 173.2953 201.3998 761563.0846 3.7641 3.7067 PRESSURE: 4075200 -103.729 158.121 172.194 158.121 -216.56 -43.7498 172.194 -43.7497 200.467 GPRESSURE: 4075200 -113.393 64.6993 225.464 238.955 -138.469 -91.3448 73.7932 -105.595 218.094 PRESSAVG: 4075200 17.7871 9.89021 -21.5185 9.89026 -7.0642 31.5819 -21.5185 31.5819 0.355074 GPRESSAVG: 4075200 18.7869 8.66724 -23.6863 8.36964 -7.31761 30.1518 -19.8252 31.6637 -0.392105 TIMING: 4075200 CPU: 12881.4, 0.00317696/step Wall: 12881.4, 0.00317696/step, 0.816125 hours remaining, 236.695312 MB of memory in use. ENERGY: 4075200 3890.8919 20498.7575 14443.2189 234.0139 -203146.8812 2330.7947 0.0000 0.0000 52291.1717 -109458.0325 300.5181 -161749.2042 -109092.4482 299.4630 -39.9405 -11.2561 761675.9812 3.6927 3.6924 PRESSURE: 4075400 -46.6341 -206.966 -52.7422 -206.965 -64.5264 5.57263 -52.7411 5.57231 -124.536 GPRESSURE: 4075400 -124.979 -102.46 -60.4296 -223.756 18.7695 67.514 13.1748 -84.2347 -20.6376 PRESSAVG: 4075400 -35.0969 44.6799 -20.639 44.6799 42.718 -22.4185 -20.639 -22.4184 -18.728 GPRESSAVG: 4075400 -34.8137 45.6582 -21.6523 44.2985 42.3461 -22.1615 -21.2866 -23.7891 -18.5369 TIMING: 4075400 CPU: 12882, 0.00318075/step Wall: 12882, 0.00318075/step, 0.816923 hours remaining, 236.695312 MB of memory in use. ENERGY: 4075400 4005.9302 20399.8450 14478.8773 240.0264 -203109.7667 2627.1064 0.0000 0.0000 51860.1761 -109497.8053 298.0411 -161357.9814 -109135.1820 299.7353 -78.5654 -42.2825 759960.0358 -3.7023 -3.6681 PRESSURE: 4075600 -207.817 -85.0399 75.2638 -85.0398 -153.987 1.3423 75.2649 1.34356 -340.809 GPRESSURE: 4075600 -174.2 -120.492 35.426 -53.144 -93.58 -19.7874 46.709 40.4795 -344.692 PRESSAVG: 4075600 -31.6599 41.4119 -12.0072 41.4119 -18.5127 5.28204 -12.0072 5.28203 2.16618 GPRESSAVG: 4075600 -32.3107 40.1102 -12.5632 42.159 -17.8485 4.83374 -11.4423 8.55102 2.60572 TIMING: 4075600 CPU: 12882.7, 0.00315804/step Wall: 12882.7, 0.00315804/step, 0.810914 hours remaining, 236.695312 MB of memory in use. ENERGY: 4075600 3995.2266 20393.6827 14483.5960 233.4037 -203272.1695 2544.3176 0.0000 0.0000 52206.7985 -109415.1444 300.0332 -161621.9429 -109042.9393 299.4135 -234.2043 -204.1573 763093.9774 -16.0021 -15.8511 PRESSURE: 4075800 -226.149 -122.734 43.3688 -122.733 225.581 -273.503 43.3687 -273.503 -54.8384 GPRESSURE: 4075800 -110.266 -40.526 51.7895 -146.854 171.185 -313.663 -23.4366 -301.734 -79.0224 PRESSAVG: 4075800 -19.8155 -4.09824 -37.658 -4.09821 30.4596 0.415596 -37.658 0.415521 7.88331 GPRESSAVG: 4075800 -19.5764 -3.15488 -37.032 -6.76717 29.984 2.81821 -35.1001 -2.56611 8.24182 TIMING: 4075800 CPU: 12883.3, 0.00316995/step Wall: 12883.3, 0.00316995/step, 0.813796 hours remaining, 236.695312 MB of memory in use. ENERGY: 4075800 3985.9831 20531.8526 14517.3842 242.5751 -203516.6399 2743.8349 0.0000 0.0000 52157.3040 -109337.7060 299.7487 -161495.0100 -108977.1953 299.5985 -18.4688 -6.0342 760756.9300 6.1758 6.2165 PRESSURE: 4076000 -180.927 -5.88954 97.5883 -5.89108 226.781 15.7354 97.5882 15.734 39.402 GPRESSURE: 4076000 -171.219 32.5446 160.751 -156.339 256.164 95.5135 -29.7218 -63.7414 58.1935 PRESSAVG: 4076000 -1.28435 -46.4325 -35.6748 -46.4326 35.9206 -5.78901 -35.6748 -5.78903 -19.8031 GPRESSAVG: 4076000 -0.723745 -46.4559 -34.65 -44.8006 35.1057 -7.07436 -39.2858 -6.23826 -19.8482 TIMING: 4076000 CPU: 12883.9, 0.00316722/step Wall: 12883.9, 0.00316722/step, 0.812919 hours remaining, 236.695312 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: 4076000 3920.6692 20574.3083 14501.0510 242.8751 -203237.9589 2590.8857 0.0000 0.0000 51994.1203 -109414.0491 298.8109 -161408.1694 -109050.5191 299.3430 28.4189 47.7126 759519.9337 4.9444 4.8446 PRESSURE: 4076200 229.033 -109.979 -12.5845 -109.979 203.629 -67.5389 -12.5844 -67.5381 -137.407 GPRESSURE: 4076200 238.669 -92.9092 -7.36742 -25.2339 188.552 -197.101 -37.9628 27.6182 -47.9543 PRESSAVG: 4076200 -13.5493 -5.5291 10.3229 -5.52914 37.5694 33.024 10.3229 33.0241 -1.7579 GPRESSAVG: 4076200 -14.6217 -5.65011 10.7115 -5.29469 38.8586 32.741 10.3587 35.0271 -1.94413 TIMING: 4076200 CPU: 12884.6, 0.00317286/step Wall: 12884.6, 0.00317286/step, 0.814191 hours remaining, 236.695312 MB of memory in use. ENERGY: 4076200 3906.7725 20400.1395 14528.5549 276.6414 -203569.7408 2682.4774 0.0000 0.0000 52194.0143 -109581.1408 299.9597 -161775.1551 -109223.1526 299.3243 98.4185 126.4222 760443.0737 7.4207 7.4309 LDB: ============= START OF LOAD BALANCING ============== 12897.1 LDB: ============== END OF LOAD BALANCING =============== 12897.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12897.1 LDB: ============= START OF LOAD BALANCING ============== 12897.4 LDB: Largest compute 7048 load 0.034370 is 17.6% of average load 0.195625 LDB: Average compute 0.004418 is 2.3% of average load 0.195625 LDB: TIME 12897.4 LOAD: AVG 0.195625 MAX 0.213257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.711 MB LDB: TIME 12897.4 LOAD: AVG 0.195625 MAX 0.213257 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.918 MB LDB: TIME 12897.4 LOAD: AVG 0.195625 MAX 0.213257 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.918 MB LDB: ============== END OF LOAD BALANCING =============== 12897.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12897.4 PRESSURE: 4076400 -88.9843 8.56012 41.7644 8.56011 -11.4877 379.204 41.7651 379.205 302.888 GPRESSURE: 4076400 -17.1461 -83.1547 40.1622 -22.6062 29.1594 264.35 178.776 431.366 262.334 PRESSAVG: 4076400 -28.8339 -13.7008 -33.9347 -13.7009 33.4732 36.8141 -33.9347 36.8142 -10.3606 GPRESSAVG: 4076400 -26.7832 -13.2377 -34.2981 -14.2619 32.6329 36.0613 -32.5532 36.7454 -11.0073 TIMING: 4076400 CPU: 12885.2, 0.00324698/step Wall: 12885.2, 0.00324698/step, 0.833031 hours remaining, 236.675781 MB of memory in use. ENERGY: 4076400 4017.2230 20570.9661 14461.6526 241.3427 -203301.1103 2570.8389 0.0000 0.0000 51971.5621 -109467.5249 298.6813 -161439.0869 -109110.0153 299.1740 67.4721 91.4491 760635.5172 -1.9071 -1.7192 PRESSURE: 4076600 -257.25 -25.2085 -43.3466 -25.2089 -430.39 31.3823 -43.3461 31.3815 104.963 GPRESSURE: 4076600 -240.764 105.503 9.63609 -115.196 -348.689 19.766 -29.8748 32.7842 81.2359 PRESSAVG: 4076600 -10.7397 -33.9014 32.1351 -33.9014 27.7308 -0.130515 32.1351 -0.130553 13.9595 GPRESSAVG: 4076600 -12.6417 -33.4833 32.9921 -34.7534 27.5543 0.641674 32.1685 -0.575116 15.284 TIMING: 4076600 CPU: 12885.8, 0.00316594/step Wall: 12885.8, 0.00316594/step, 0.812064 hours remaining, 236.742188 MB of memory in use. ENERGY: 4076600 3966.3821 20578.4766 14486.7804 239.5682 -203220.7736 2530.7512 0.0000 0.0000 51949.9851 -109468.8300 298.5573 -161418.8151 -109107.2936 299.2201 -194.2258 -169.4058 762082.9532 10.3169 10.0655 PRESSURE: 4076800 172.846 -180.616 121.835 -180.616 209.663 344.631 121.835 344.631 9.77842 GPRESSURE: 4076800 326.854 -81.8964 123.558 -84.8679 150.841 398.155 83.6629 209.021 2.99462 PRESSAVG: 4076800 -11.691 -34.5224 -51.0685 -34.5223 46.1335 35.823 -51.0684 35.823 -2.54732 GPRESSAVG: 4076800 -10.6376 -33.7605 -52.0452 -33.5626 46.3309 35.9138 -52.1146 34.9706 -3.77301 TIMING: 4076800 CPU: 12886.5, 0.00316124/step Wall: 12886.5, 0.00316124/step, 0.810681 hours remaining, 236.742188 MB of memory in use. ENERGY: 4076800 3979.3312 20594.6442 14406.8861 238.7473 -203854.0895 2959.1743 0.0000 0.0000 52168.5124 -109506.7941 299.8132 -161675.3065 -109142.8864 299.3196 130.7625 160.2298 761010.0427 10.6317 10.6401 PRESSURE: 4077000 -49.1927 13.9692 -66.1775 13.9691 -259.02 96.3266 -66.1773 96.3268 204.739 GPRESSURE: 4077000 -73.6397 -15.4848 -41.2174 -127.318 -181.136 168.148 -11.4168 100.362 241.774 PRESSAVG: 4077000 -32.6985 -14.6623 1.26962 -14.6622 11.6235 0.483194 1.26962 0.483184 -17.8344 GPRESSAVG: 4077000 -33.6086 -14.4402 0.123277 -15.006 11.55 0.576483 1.4738 1.88037 -15.9744 TIMING: 4077000 CPU: 12887.1, 0.0031597/step Wall: 12887.1, 0.0031597/step, 0.810113 hours remaining, 236.742188 MB of memory in use. ENERGY: 4077000 3971.8025 20487.2839 14396.1004 253.4182 -203319.5941 2521.8093 0.0000 0.0000 52179.4277 -109509.7521 299.8759 -161689.1798 -109146.7412 299.4026 -34.4913 -4.3339 761591.5601 -12.9698 -12.6776 PRESSURE: 4077200 328.073 -106.118 -177.208 -106.118 227.73 -65.2348 -177.208 -65.2353 128.367 GPRESSURE: 4077200 390.711 -100.982 -133.657 -70.9976 243.062 -73.0101 -113.277 -81.764 126.803 PRESSAVG: 4077200 -46.2829 11.2613 13.0647 11.2613 62.2059 10.8752 13.0647 10.8753 8.11411 GPRESSAVG: 4077200 -45.5282 8.84866 14.5493 12.6903 62.763 10.3622 13.813 8.6244 7.08039 TIMING: 4077200 CPU: 12887.7, 0.00316513/step Wall: 12887.7, 0.00316513/step, 0.811329 hours remaining, 236.742188 MB of memory in use. ENERGY: 4077200 4041.3611 20650.6413 14344.3501 254.8435 -203303.8026 2681.5117 0.0000 0.0000 52105.6832 -109225.4118 299.4521 -161331.0949 -108859.5114 299.2722 228.0566 253.5251 761632.1246 8.0124 8.1051 PRESSURE: 4077400 -142.956 70.4998 125.369 70.4992 -257.882 -137.222 125.369 -137.224 -296.852 GPRESSURE: 4077400 -109.138 44.1516 165.546 -104.46 -245.132 -98.6276 40.3446 -110.321 -251.866 PRESSAVG: 4077400 -49.654 21.6109 63.9264 21.611 -2.92306 -1.10394 63.9264 -1.10399 -4.4992 GPRESSAVG: 4077400 -49.8414 22.7804 62.763 19.5501 -4.1991 -1.29733 63.999 0.916854 -2.99302 TIMING: 4077400 CPU: 12888.4, 0.00319883/step Wall: 12888.4, 0.00319883/step, 0.81979 hours remaining, 236.945312 MB of memory in use. ENERGY: 4077400 4005.4269 20553.6822 14461.4269 237.5001 -203102.5034 2447.1464 0.0000 0.0000 52224.5027 -109172.8183 300.1349 -161397.3209 -108813.9689 300.2353 -232.5636 -202.0456 761780.3449 -19.0254 -19.0112 PRESSURE: 4077600 -39.4088 100.444 -79.38 100.445 -261.777 113.95 -79.3806 113.951 35.2619 GPRESSURE: 4077600 80.7636 144.05 -92.2566 24.8316 -277.066 115.808 -98.4511 66.1905 19.6752 PRESSAVG: 4077600 17.5138 4.47705 -6.75155 4.47714 5.11148 50.8702 -6.75155 50.8702 6.71142 GPRESSAVG: 4077600 17.9679 3.34184 -7.18366 6.55061 5.1222 49.0321 -9.26782 51.2304 7.14272 TIMING: 4077600 CPU: 12889, 0.00319324/step Wall: 12889, 0.00319324/step, 0.818179 hours remaining, 237.148438 MB of memory in use. ENERGY: 4077600 4079.8489 20448.8687 14428.9921 229.5507 -203381.3444 2524.8053 0.0000 0.0000 52441.6472 -109227.6314 301.3829 -161669.2786 -108866.8983 299.7959 -88.6412 -58.8758 760832.6941 9.7789 10.0776 PRESSURE: 4077800 -320.605 69.3554 17.7077 69.3548 283.352 97.9647 17.7081 97.966 -234.501 GPRESSURE: 4077800 -193.903 67.4356 44.0728 0.699842 274.255 32.4769 55.9627 81.5591 -274.692 PRESSAVG: 4077800 -46.7696 -19.2766 -32.0343 -19.2766 42.2493 83.8968 -32.0343 83.8968 0.817772 GPRESSAVG: 4077800 -47.0809 -18.5734 -32.0852 -18.8192 43.4562 84.8547 -30.0901 84.9466 -0.583266 TIMING: 4077800 CPU: 12889.7, 0.00319135/step Wall: 12889.7, 0.00319135/step, 0.817518 hours remaining, 237.148438 MB of memory in use. ENERGY: 4077800 4001.5624 20485.4483 14358.7158 250.9707 -203356.3244 2567.3517 0.0000 0.0000 52312.8265 -109379.4491 300.6425 -161692.2756 -109004.5175 299.4622 -90.5845 -64.7803 761731.0641 -1.2342 -1.4026 PRESSURE: 4078000 14.0965 -168.313 89.9653 -168.313 188.372 -10.4144 89.9647 -10.4147 292.934 GPRESSURE: 4078000 132.924 -162.462 54.7422 -213.258 234.849 -74.2201 -22.1364 -36.9941 215.145 PRESSAVG: 4078000 -64.153 -67.9991 -22.5431 -67.9991 50.4629 -8.53362 -22.5432 -8.53369 -15.2617 GPRESSAVG: 4078000 -63.9274 -68.6984 -22.203 -69.0075 49.6594 -6.73185 -21.7404 -11.1212 -14.6979 TIMING: 4078000 CPU: 12890.3, 0.00320392/step Wall: 12890.3, 0.00320392/step, 0.820559 hours remaining, 237.148438 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: 4078000 3986.4208 20701.5907 14426.6671 286.6562 -203162.2359 2612.7351 0.0000 0.0000 52135.6529 -109012.5132 299.6243 -161148.1660 -108649.7696 300.3383 165.1342 194.3058 762733.8887 -9.6506 -9.6553 PRESSURE: 4078200 170.851 98.1342 -6.88216 98.1345 -334.824 33.0833 -6.88143 33.0833 -446.023 GPRESSURE: 4078200 113.235 3.06253 14.4707 -0.415488 -150.536 39.206 38.6953 100.622 -478.138 PRESSAVG: 4078200 -12.2303 -37.136 19.8327 -37.136 -1.16838 -6.84057 19.8327 -6.84056 11.4848 GPRESSAVG: 4078200 -11.9375 -35.3955 20.4227 -39.4573 -0.178462 -9.64571 19.6106 -5.57061 10.5436 TIMING: 4078200 CPU: 12890.9, 0.00319726/step Wall: 12890.9, 0.00319726/step, 0.818675 hours remaining, 237.148438 MB of memory in use. ENERGY: 4078200 4029.5665 20557.0186 14511.6634 258.1333 -202722.0024 2396.1748 0.0000 0.0000 51896.2900 -109073.1558 298.2487 -160969.4458 -108718.9520 299.9960 -203.3320 -171.8128 761843.9084 -0.6380 -0.5241 PRESSURE: 4078400 -191.458 -103.859 20.4827 -103.86 76.2034 -56.1612 20.4829 -56.161 379.917 GPRESSURE: 4078400 -154.434 78.9158 3.74309 -121.425 151.177 34.451 -98.1027 56.2237 358.147 PRESSAVG: 4078400 -37.3858 -4.83564 -13.0287 -4.83565 9.00781 -7.84477 -13.0287 -7.84474 -1.10496 GPRESSAVG: 4078400 -38.401 -5.90585 -14.5866 -2.63791 8.75954 -5.66707 -14.5626 -8.32134 -0.131475 TIMING: 4078400 CPU: 12891.6, 0.00319494/step Wall: 12891.6, 0.00319494/step, 0.817905 hours remaining, 237.148438 MB of memory in use. ENERGY: 4078400 3945.6005 20688.8895 14434.3282 237.7838 -203098.7322 2506.1604 0.0000 0.0000 52168.3760 -109117.5937 299.8124 -161285.9697 -108754.3860 299.7776 88.2209 118.2965 761681.4074 -9.8276 -9.9243 PRESSURE: 4078600 229.618 -31.8424 183.616 -31.8428 160.694 170.466 183.617 170.466 78.5096 GPRESSURE: 4078600 237.206 -72.784 250.984 -51.5074 180.762 86.105 58.9358 218.066 142.804 PRESSAVG: 4078600 -3.17128 -9.25411 -34.5573 -9.25414 -32.8996 14.3599 -34.5573 14.3599 11.8824 GPRESSAVG: 4078600 -2.84944 -10.872 -33.2454 -9.66165 -33.0642 14.5147 -35.2331 13.3541 11.8245 TIMING: 4078600 CPU: 12892.2, 0.00318579/step Wall: 12892.2, 0.00318579/step, 0.815386 hours remaining, 237.148438 MB of memory in use. ENERGY: 4078600 4086.0281 20530.3119 14483.1219 250.1768 -203653.8571 2915.3453 0.0000 0.0000 52089.7090 -109299.1641 299.3603 -161388.8731 -108927.4710 299.5876 156.2738 186.9241 760276.0108 -8.0628 -8.0297 PRESSURE: 4078800 148.033 20.597 -298.302 20.5975 -343.997 171.463 -298.301 171.462 -219.868 GPRESSURE: 4078800 156.874 22.788 -234.093 227.163 -274.013 291.597 -275.352 200.304 -207.66 PRESSAVG: 4078800 -36.7012 -22.533 -58.9658 -22.533 50.0128 46.9594 -58.9658 46.9594 -12.9129 GPRESSAVG: 4078800 -35.9481 -20.1472 -57.7293 -23.2737 48.9964 46.8479 -59.6284 48.4443 -13.0961 TIMING: 4078800 CPU: 12892.9, 0.00319932/step Wall: 12892.9, 0.00319932/step, 0.818671 hours remaining, 237.148438 MB of memory in use. ENERGY: 4078800 3991.0320 20636.9970 14429.7003 241.9132 -203349.7918 2472.1428 0.0000 0.0000 52174.8987 -109403.1079 299.8499 -161578.0066 -109038.1801 299.5946 -138.6106 -108.2664 761890.9123 0.1329 -0.0159 PRESSURE: 4079000 126.027 257.901 222.181 257.9 -43.2496 -157.265 222.182 -157.265 -175.873 GPRESSURE: 4079000 135.81 234.475 188.033 191.424 -34.5627 -160.294 68.3958 -138.156 -103.346 PRESSAVG: 4079000 13.0109 -22.3274 -10.4082 -22.3274 17.3697 37.3069 -10.4081 37.3068 16.6646 GPRESSAVG: 4079000 13.362 -23.7389 -11.7023 -20.1311 17.0444 38.2114 -8.28811 35.863 16.574 TIMING: 4079000 CPU: 12893.5, 0.00318907/step Wall: 12893.5, 0.00318907/step, 0.815869 hours remaining, 237.148438 MB of memory in use. ENERGY: 4079000 3961.9880 20592.9961 14504.5224 255.6323 -203660.3100 2741.5725 0.0000 0.0000 52150.1401 -109453.4586 299.7076 -161603.5987 -109104.1308 299.6363 -31.0318 -0.6995 760999.1836 15.6818 15.6601 PRESSURE: 4079200 105.218 -210.953 264.071 -210.953 163.216 -11.951 264.071 -11.9514 40.4172 GPRESSURE: 4079200 133.621 -261.166 238.186 -169.243 244.068 63.2659 238.754 16.2886 22.2064 PRESSAVG: 4079200 -41.2415 -41.789 -2.6752 -41.789 53.8198 2.18869 -2.67512 2.18867 6.80506 GPRESSAVG: 4079200 -41.6165 -39.6581 -2.22222 -43.17 54.5083 1.05615 -3.7888 2.11023 6.2785 TIMING: 4079200 CPU: 12894.1, 0.0031681/step Wall: 12894.1, 0.00316809/step, 0.810328 hours remaining, 237.148438 MB of memory in use. ENERGY: 4079200 4055.8064 20466.2733 14487.9280 236.1105 -203269.6400 2542.2445 0.0000 0.0000 51902.1827 -109579.0946 298.2826 -161481.2773 -109217.7713 299.0506 102.9506 133.2986 761113.7562 6.4611 6.3901 PRESSURE: 4079400 -62.292 -73.1638 -35.6249 -73.1638 -100.771 -240.498 -35.6247 -240.499 -109.212 GPRESSURE: 4079400 -13.1304 34.2317 -67.5116 -96.9091 -94.8631 -321.136 36.9913 -138.458 -68.0374 PRESSAVG: 4079400 -38.0214 -82.5933 -18.6238 -82.5934 30.068 -54.7773 -18.6238 -54.7773 -3.13753 GPRESSAVG: 4079400 -38.2026 -82.9956 -20.5624 -82.9508 29.3447 -55.3119 -16.0327 -53.6007 -2.07108 TIMING: 4079400 CPU: 12894.8, 0.00319074/step Wall: 12894.8, 0.00319074/step, 0.815943 hours remaining, 237.148438 MB of memory in use. ENERGY: 4079400 3994.9074 20675.9793 14493.3257 253.8369 -203365.7507 2575.0430 0.0000 0.0000 51902.8247 -109469.8336 298.2862 -161372.6583 -109112.6945 298.8530 -90.7583 -58.6770 761963.0590 -3.6970 -3.6430 PRESSURE: 4079600 29.9753 -130.345 -54.9621 -130.345 -191.538 26.0982 -54.9625 26.0983 -198.524 GPRESSURE: 4079600 -2.6663 -78.1864 -66.777 -148.127 -187.104 112.558 -104.699 177.516 -105.874 PRESSAVG: 4079600 -39.8573 -50.4034 -25.8964 -50.4034 27.1287 1.36309 -25.8964 1.36316 -42.0225 GPRESSAVG: 4079600 -40.5418 -52.573 -24.9282 -49.874 27.3322 3.05926 -26.5001 1.52007 -41.857 TIMING: 4079600 CPU: 12895.4, 0.00320045/step Wall: 12895.4, 0.00320045/step, 0.818248 hours remaining, 237.148438 MB of memory in use. ENERGY: 4079600 3969.9336 20364.4139 14440.9431 243.4635 -203344.0486 2491.4214 0.0000 0.0000 52451.9759 -109381.8972 301.4422 -161833.8731 -109007.2802 299.3813 -120.0290 -98.5483 763641.5330 -18.2503 -18.3555 PRESSURE: 4079800 -165.591 0.988503 -67.2407 0.988785 78.4428 -20.9626 -67.2405 -20.9639 -287.416 GPRESSURE: 4079800 -64.5092 -87.5708 -35.1705 -8.96532 37.4535 -22.186 -61.3269 -63.0202 -269.177 PRESSAVG: 4079800 -36.4894 -32.5615 44.6834 -32.5615 1.45474 -31.3347 44.6834 -31.3346 -8.35176 GPRESSAVG: 4079800 -34.839 -31.0526 42.7728 -31.6191 1.69018 -32.3975 42.8556 -31.8488 -9.94501 TIMING: 4079800 CPU: 12896, 0.00319415/step Wall: 12896, 0.00319415/step, 0.816461 hours remaining, 237.148438 MB of memory in use. ENERGY: 4079800 4037.9800 20470.7488 14485.2797 258.1138 -203240.4467 2441.0869 0.0000 0.0000 52132.9654 -109414.2721 299.6089 -161547.2375 -109047.0354 299.2829 -124.8547 -98.7441 762735.0231 -14.4621 -14.3646 PRESSURE: 4080000 -67.5837 130.256 -32.3903 130.256 203.868 262.494 -32.391 262.493 -604.779 GPRESSURE: 4080000 -114.362 199.411 -17.2384 73.8318 274.373 247.655 32.8771 235.84 -535.982 PRESSAVG: 4080000 -55.8184 19.1709 15.8411 19.1709 32.5074 -26.9638 15.8411 -26.9638 31.9635 GPRESSAVG: 4080000 -56.276 18.1876 16.8904 16.5152 33.8629 -25.4358 17.648 -27.2866 32.2942 TIMING: 4080000 CPU: 12896.7, 0.00319189/step Wall: 12896.7, 0.00319189/step, 0.815706 hours remaining, 237.148438 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: 4080000 3953.9581 20505.9083 14460.4809 250.7015 -203608.5695 2810.4879 0.0000 0.0000 52116.3246 -109510.7083 299.5132 -161627.0329 -109152.9850 299.2893 -156.1647 -125.3234 762542.8534 2.8842 3.2937 PRESSURE: 4080200 55.1688 116.921 -176.443 116.921 103.36 149.212 -176.443 149.212 27.8716 GPRESSURE: 4080200 161.86 77.7141 -124.89 202.286 81.7517 1.55523 -165.517 74.7527 27.3623 PRESSAVG: 4080200 -44.7631 28.8341 -19.0568 28.8341 -3.58866 -51.9922 -19.0568 -51.9922 27.7764 GPRESSAVG: 4080200 -45.5845 29.4197 -18.2739 29.923 -3.24008 -54.0526 -20.8608 -52.4262 27.9911 TIMING: 4080200 CPU: 12897.3, 0.00320054/step Wall: 12897.3, 0.00320054/step, 0.817737 hours remaining, 237.148438 MB of memory in use. ENERGY: 4080200 3959.0476 20603.3954 14464.6519 243.1936 -203602.4468 2500.4265 0.0000 0.0000 52025.1986 -109806.5332 298.9895 -161831.7318 -109441.4816 298.8502 62.1335 90.3248 760840.6981 -6.8584 -6.9445 LDB: ============= START OF LOAD BALANCING ============== 12909.9 LDB: ============== END OF LOAD BALANCING =============== 12909.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12909.9 LDB: ============= START OF LOAD BALANCING ============== 12910.2 LDB: Largest compute 7077 load 0.036773 is 18.8% of average load 0.195513 LDB: Average compute 0.004403 is 2.3% of average load 0.195513 LDB: TIME 12910.2 LOAD: AVG 0.195513 MAX 0.215164 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 12910.2 LOAD: AVG 0.195513 MAX 0.215164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 12910.2 LOAD: AVG 0.195513 MAX 0.215164 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 12910.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12910.2 PRESSURE: 4080400 -326.471 184.934 52.6584 184.934 171.814 -312.378 52.6586 -312.378 25.5444 GPRESSURE: 4080400 -212.308 234.377 67.1462 285.254 168.833 -291.965 48.8409 -59.9604 -15.3786 PRESSAVG: 4080400 -51.1897 5.56948 -10.9627 5.56946 55.8609 -44.7649 -10.9627 -44.7649 -28.1858 GPRESSAVG: 4080400 -51.239 5.7983 -11.7152 5.9352 55.4289 -44.3131 -8.30505 -45.0754 -27.9182 TIMING: 4080400 CPU: 12898, 0.00324154/step Wall: 12898, 0.00324154/step, 0.828034 hours remaining, 235.964844 MB of memory in use. ENERGY: 4080400 3933.6031 20628.3862 14434.2018 239.9551 -202964.6100 2352.8671 0.0000 0.0000 51662.9958 -109712.6009 296.9079 -161375.5967 -109357.5350 298.3751 -43.0376 -19.6176 760349.8291 -7.8382 -7.9094 PRESSURE: 4080600 -1.84622 -56.6975 -27.6452 -56.6976 -460.427 168.533 -27.6456 168.533 102.934 GPRESSURE: 4080600 3.70732 -58.2626 -27.2935 -82.3186 -383.052 179.886 -48.7007 70.583 117.229 PRESSAVG: 4080600 -78.6363 20.7573 -38.3321 20.7572 75.682 18.9564 -38.3321 18.9563 1.61619 GPRESSAVG: 4080600 -78.7687 21.6683 -36.2361 19.3589 75.5032 18.8959 -39.8228 18.448 1.82135 TIMING: 4080600 CPU: 12898.6, 0.00318383/step Wall: 12898.6, 0.00318383/step, 0.813115 hours remaining, 235.964844 MB of memory in use. ENERGY: 4080600 3955.2176 20358.5167 14476.3706 213.9878 -203167.2122 2419.9879 0.0000 0.0000 51907.1244 -109836.0072 298.3110 -161743.1316 -109465.9881 297.6269 -119.7796 -87.3720 761365.5673 -0.4460 -0.4814 PRESSURE: 4080800 -125.048 26.7041 -129.646 26.7035 225.126 2.92408 -129.646 2.92497 11.8627 GPRESSURE: 4080800 -104.077 71.2602 -160.103 76.8072 237.125 -37.7269 -92.9873 20.6476 68.8372 PRESSAVG: 4080800 -49.4695 -12.1804 20.2587 -12.1804 76.6905 -19.3168 20.2587 -19.3167 0.748895 GPRESSAVG: 4080800 -49.4105 -11.8655 18.8844 -9.78273 77.7752 -19.451 21.1688 -17.4175 0.0649496 TIMING: 4080800 CPU: 12899.2, 0.00319057/step Wall: 12899.2, 0.00319057/step, 0.814658 hours remaining, 235.964844 MB of memory in use. ENERGY: 4080800 3946.7337 20493.8917 14453.2192 251.6027 -203885.0570 2976.1376 0.0000 0.0000 52068.3932 -109695.0789 299.2378 -161763.4720 -109334.9579 298.2676 37.3134 67.2952 761405.0345 9.3233 9.4766 PRESSURE: 4081000 24.6541 75.7279 104.778 75.7292 102.316 -2.10229 104.778 -2.10183 41.6951 GPRESSURE: 4081000 -17.1077 2.70062 185.017 41.2369 117.477 48.0828 3.76279 8.74347 139.454 PRESSAVG: 4081000 1.28968 -16.1232 21.4845 -16.1232 -38.1371 41.5607 21.4845 41.5607 -23.222 GPRESSAVG: 4081000 0.119143 -16.8066 22.9036 -18.3784 -37.939 42.4414 17.7701 39.3089 -22.6728 TIMING: 4081000 CPU: 12899.9, 0.00319406/step Wall: 12899.9, 0.00319406/step, 0.815371 hours remaining, 235.964844 MB of memory in use. ENERGY: 4081000 3951.9225 20637.6974 14427.8078 230.2242 -203624.1360 2794.0405 0.0000 0.0000 52036.1625 -109546.2811 299.0525 -161582.4436 -109192.9079 298.6278 56.2217 79.9414 762810.5301 -20.0231 -20.1642 PRESSURE: 4081200 -141.311 136.947 -314.277 136.947 47.0406 -42.9494 -314.276 -42.9489 359.58 GPRESSURE: 4081200 -147.716 178.309 -234.216 80.1297 124.623 -40.4305 -269.146 -26.5314 362.243 PRESSAVG: 4081200 -31.8721 36.3787 -35.162 36.3788 43.3456 -16.7782 -35.162 -16.7782 -12.8119 GPRESSAVG: 4081200 -30.9198 34.5719 -35.9016 36.6358 42.1313 -16.5629 -32.9395 -15.9274 -12.8653 TIMING: 4081200 CPU: 12900.5, 0.0031877/step Wall: 12900.5, 0.0031877/step, 0.813573 hours remaining, 235.964844 MB of memory in use. ENERGY: 4081200 3932.6852 20404.8957 14473.7445 271.5408 -203141.8355 2619.2591 0.0000 0.0000 51905.4894 -109534.2208 298.3016 -161439.7102 -109171.9974 298.6246 88.4366 113.0501 762129.6768 -0.4461 -0.5513 PRESSURE: 4081400 137.209 -272.643 241.362 -272.643 -62.6131 -8.49497 241.362 -8.49421 155.37 GPRESSURE: 4081400 209.985 -258.116 171.904 -266.652 -49.6713 59.1095 182.517 -50.2923 170.953 PRESSAVG: 4081400 -78.8193 -51.9514 -44.7307 -51.9514 73.2593 -20.359 -44.7307 -20.359 -11.4728 GPRESSAVG: 4081400 -78.5278 -51.2126 -44.2585 -51.0569 73.7774 -21.194 -46.8492 -19.8152 -11.6403 TIMING: 4081400 CPU: 12901.2, 0.00317522/step Wall: 12901.2, 0.00317522/step, 0.810211 hours remaining, 235.964844 MB of memory in use. ENERGY: 4081400 3944.8938 20538.1107 14485.0917 246.5827 -203732.9394 2751.8948 0.0000 0.0000 52130.9617 -109635.4040 299.5974 -161766.3657 -109266.3926 298.7055 76.6552 110.4223 761037.4403 -5.6776 -5.4635 PRESSURE: 4081600 539.627 124.619 21.9108 124.619 442.372 81.7761 21.9099 81.7767 -28.4819 GPRESSURE: 4081600 562.959 130.759 -1.26791 144.037 396.69 83.9375 180.175 145.738 58.8886 PRESSAVG: 4081600 21.893 41.8866 -18.3692 41.8866 11.5146 1.7214 -18.3692 1.72134 -18.0478 GPRESSAVG: 4081600 21.3375 42.0023 -19.0562 41.1409 10.7895 1.51639 -16.5602 2.88634 -17.2453 TIMING: 4081600 CPU: 12901.8, 0.00315874/step Wall: 12901.8, 0.00315874/step, 0.80583 hours remaining, 235.964844 MB of memory in use. ENERGY: 4081600 3941.6614 20764.0126 14551.1542 258.2811 -203968.2070 2992.3542 0.0000 0.0000 51949.4787 -109511.2648 298.5544 -161460.7435 -109157.8409 299.0164 317.8387 339.5125 759151.4324 5.1199 4.9606 PRESSURE: 4081800 -42.7748 58.8589 -115.776 58.8588 181.381 -131.104 -115.776 -131.104 -226.668 GPRESSURE: 4081800 -87.9691 114.269 -73.4569 87.521 236.916 -217.378 -166.548 -177.355 -160.873 PRESSAVG: 4081800 3.34341 15.7792 -12.675 15.7791 25.6338 -68.7644 -12.6751 -68.7644 -7.32153 GPRESSAVG: 4081800 3.5222 16.06 -12.5697 16.7551 26.4422 -69.5033 -11.5921 -70.4158 -8.51907 TIMING: 4081800 CPU: 12902.4, 0.00318046/step Wall: 12902.4, 0.00318046/step, 0.811194 hours remaining, 235.964844 MB of memory in use. ENERGY: 4081800 3968.1388 20588.5865 14541.9047 243.5106 -203142.0507 2267.7127 0.0000 0.0000 51932.6827 -109599.5147 298.4578 -161532.1974 -109241.9666 299.2652 -29.3539 -3.9753 761029.1258 7.2186 7.1485 PRESSURE: 4082000 -250.693 -47.9297 30.9526 -47.9304 214.972 -111.281 30.9526 -111.28 -187.547 GPRESSURE: 4082000 -257.53 -88.4544 47.3175 -40.6716 252.145 -61.7719 6.72405 -34.2549 -141.338 PRESSAVG: 4082000 -39.6088 18.1419 29.6163 18.1419 29.0054 13.0162 29.6163 13.0161 -11.9135 GPRESSAVG: 4082000 -39.9406 17.3731 29.7548 18.7591 28.7446 13.1286 28.2033 12.9 -11.5936 TIMING: 4082000 CPU: 12903.1, 0.00316666/step Wall: 12903.1, 0.00316666/step, 0.807498 hours remaining, 235.964844 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: 4082000 4006.3563 20768.5048 14531.9998 242.4564 -203461.5333 2412.0981 0.0000 0.0000 51879.8671 -109620.2508 298.1543 -161500.1179 -109272.1036 298.9381 -74.4228 -48.9075 760820.0770 -7.5056 -7.5965 PRESSURE: 4082200 -409.938 -493.543 101.874 -493.543 63.7499 -60.1715 101.874 -60.1722 317.313 GPRESSURE: 4082200 -340.982 -303.467 141.085 -346.806 163.991 -68.1814 68.9553 86.9023 233.764 PRESSAVG: 4082200 -41.8739 -54.4263 -57.4335 -54.4263 63.8438 33.5589 -57.4335 33.5589 -19.9248 GPRESSAVG: 4082200 -40.8126 -53.3583 -57.7688 -55.0265 63.5499 35.5265 -55.291 33.1879 -20.9249 TIMING: 4082200 CPU: 12903.7, 0.00316907/step Wall: 12903.7, 0.00316907/step, 0.807937 hours remaining, 235.964844 MB of memory in use. ENERGY: 4082200 4119.4354 20559.5426 14487.2767 239.3478 -203833.8826 2793.5408 0.0000 0.0000 52112.0417 -109522.6977 299.4886 -161634.7394 -109158.2336 298.9694 -9.6252 18.9241 761319.8351 0.6817 0.6041 PRESSURE: 4082400 -335.821 -9.42568 -113.912 -9.42561 88.0945 308.728 -113.912 308.729 46.983 GPRESSURE: 4082400 -286.179 -148.78 -95.8044 -26.1987 76.2932 280.719 32.708 213.333 86.6713 PRESSAVG: 4082400 -62.3151 -54.309 -31.4768 -54.309 -11.414 -37.2324 -31.4767 -37.2323 0.430281 GPRESSAVG: 4082400 -63.1401 -54.9411 -32.5882 -53.6732 -10.1723 -39.5424 -30.9305 -36.6517 0.404886 TIMING: 4082400 CPU: 12904.3, 0.00316217/step Wall: 12904.3, 0.00316218/step, 0.806003 hours remaining, 235.964844 MB of memory in use. ENERGY: 4082400 3985.2185 20495.8971 14500.3157 240.3891 -203137.9420 2355.8571 0.0000 0.0000 52023.4294 -109536.8353 298.9794 -161560.2646 -109172.7572 299.3323 -66.9144 -41.0714 762594.9123 -24.4329 -24.3025 PRESSURE: 4082600 243.433 -12.3598 -212.915 -12.3589 112.006 -64.1957 -212.915 -64.1962 -207.958 GPRESSURE: 4082600 168.832 -45.7588 -218.586 -26.3214 180.513 -77.6756 -331.422 -47.8548 -111.675 PRESSAVG: 4082600 -35.1349 -24.2146 9.5192 -24.2146 69.6271 -41.3227 9.51916 -41.3227 -11.4228 GPRESSAVG: 4082600 -35.926 -24.76 11.2819 -24.6614 69.4435 -39.7016 8.1558 -39.7539 -10.8836 TIMING: 4082600 CPU: 12905, 0.00316173/step Wall: 12905, 0.00316173/step, 0.805713 hours remaining, 235.964844 MB of memory in use. ENERGY: 4082600 3983.0443 20535.7985 14469.5997 250.6560 -203681.5321 2745.6642 0.0000 0.0000 52215.3141 -109481.4553 300.0821 -161696.7694 -109100.6832 299.4499 49.1599 79.2236 758738.8748 7.6898 7.5446 PRESSURE: 4082800 -384.252 36.1255 110.875 36.1254 -332.158 -2.47904 110.875 -2.4787 -451.398 GPRESSURE: 4082800 -267.496 -36.126 197.807 71.2557 -337.222 -146.99 84.8752 -43.8571 -470.891 PRESSAVG: 4082800 26.0817 -28.7086 -20.7267 -28.7086 14.414 20.6686 -20.7267 20.6687 15.5007 GPRESSAVG: 4082800 28.1323 -27.7966 -21.9823 -29.7694 13.2331 19.966 -23.0791 19.3748 15.3659 TIMING: 4082800 CPU: 12905.6, 0.00318541/step Wall: 12905.6, 0.00318541/step, 0.811572 hours remaining, 235.964844 MB of memory in use. ENERGY: 4082800 4000.8265 20657.1917 14507.8455 262.9300 -203078.2436 1935.3830 0.0000 0.0000 52262.4231 -109451.6439 300.3529 -161714.0670 -109084.1525 299.7267 -389.2695 -358.5364 760010.6483 18.6655 18.9104 PRESSURE: 4083000 30.547 -177.985 260.625 -177.986 -60.3598 43.2445 260.624 43.245 112.038 GPRESSURE: 4083000 31.0985 -54.5061 218.207 -181.685 14.616 96.1518 113.357 -125.086 116.418 PRESSAVG: 4083000 -66.8484 -58.3279 12.9628 -58.3279 64.3183 1.14009 12.9629 1.14016 -24.0499 GPRESSAVG: 4083000 -66.7929 -58.5277 14.4773 -57.1093 65.3668 1.31304 12.9115 -0.339388 -24.9988 TIMING: 4083000 CPU: 12906.2, 0.00317135/step Wall: 12906.2, 0.00317135/step, 0.807814 hours remaining, 235.964844 MB of memory in use. ENERGY: 4083000 4043.4760 20606.4118 14540.5575 253.1453 -203843.4201 2795.0157 0.0000 0.0000 52192.0842 -109412.7296 299.9486 -161604.8138 -109046.7166 299.5818 27.4084 54.0440 761042.6737 -8.8600 -8.8083 PRESSURE: 4083200 -247.694 -61.1123 -18.5356 -61.1115 114.791 -83.3217 -18.5351 -83.3223 364.863 GPRESSURE: 4083200 -180.066 30.1996 -68.5446 -93.4954 169.588 -152.997 -48.4089 -39.5086 327.73 PRESSAVG: 4083200 -23.532 -42.972 39.1423 -42.972 37.8788 -34.2604 39.1423 -34.2605 -12.6146 GPRESSAVG: 4083200 -23.4574 -44.48 38.4538 -44.041 37.1781 -34.0887 41.9005 -34.9906 -11.5164 TIMING: 4083200 CPU: 12906.9, 0.00317989/step Wall: 12906.9, 0.00317989/step, 0.809812 hours remaining, 235.964844 MB of memory in use. ENERGY: 4083200 3979.5017 20432.5561 14476.6470 251.8591 -203071.9908 2218.9457 0.0000 0.0000 52286.7567 -109425.7243 300.4927 -161712.4810 -109051.6894 299.5060 77.3203 105.7509 759482.6667 0.5774 0.7348 PRESSURE: 4083400 -212.42 27.3425 140.128 27.3428 -338.526 -268.868 140.129 -268.868 -403.179 GPRESSURE: 4083400 -194.951 -37.682 143.114 -17.2177 -303.234 -187.8 50.743 -128.839 -371.148 PRESSAVG: 4083400 -24.9547 -60.3582 -10.6068 -60.3583 12.8489 10.0952 -10.6069 10.0953 3.54082 GPRESSAVG: 4083400 -26.0657 -59.8805 -9.91726 -60.7473 13.7657 10.9801 -11.1659 11.3699 3.30805 TIMING: 4083400 CPU: 12907.5, 0.00318699/step Wall: 12907.5, 0.00318699/step, 0.811442 hours remaining, 235.964844 MB of memory in use. ENERGY: 4083400 4063.5985 20560.6464 14559.5197 257.1655 -203678.8347 2635.4038 0.0000 0.0000 52098.1968 -109504.3040 299.4091 -161602.5008 -109145.1675 299.2337 -318.0418 -289.7776 761547.4737 -2.8550 -2.9973 PRESSURE: 4083600 -74.8839 40.5232 -124.446 40.5243 50.8344 -29.7914 -124.446 -29.7913 -46.7752 GPRESSURE: 4083600 -11.155 40.2587 -96.0692 83.8419 66.8024 -87.2032 -156.118 -117.746 -45.3122 PRESSAVG: 4083600 -37.3205 -6.53431 40.3002 -6.53431 11.2686 44.6704 40.3002 44.6704 -12.0889 GPRESSAVG: 4083600 -36.0369 -5.34196 41.063 -5.99719 10.9224 42.9785 40.9835 43.9925 -12.6393 TIMING: 4083600 CPU: 12908.1, 0.0031759/step Wall: 12908.1, 0.0031759/step, 0.808444 hours remaining, 235.964844 MB of memory in use. ENERGY: 4083600 3982.5751 20566.4765 14536.3640 247.0067 -203484.0537 2621.5614 0.0000 0.0000 51827.1519 -109702.9182 297.8514 -161530.0701 -109348.4552 298.7714 -23.6082 3.4451 761295.5727 -12.7136 -12.5846 PRESSURE: 4083800 -161.846 128.587 27.5528 128.587 -225.731 -94.765 27.5528 -94.7653 231.687 GPRESSURE: 4083800 -107.894 264.837 31.1031 90.4525 -233.407 -75.8144 52.9489 -25.1157 258.017 PRESSAVG: 4083800 -30.0509 14.0056 10.7283 14.0056 -8.53682 -9.98122 10.7283 -9.98123 -12.4663 GPRESSAVG: 4083800 -31.6407 13.1726 10.4393 13.6219 -7.08269 -10.1219 9.952 -9.90144 -12.0586 TIMING: 4083800 CPU: 12908.8, 0.00316866/step Wall: 12908.8, 0.00316866/step, 0.806424 hours remaining, 235.964844 MB of memory in use. ENERGY: 4083800 3916.7090 20614.5788 14520.2326 251.2383 -203503.2061 2569.6603 0.0000 0.0000 51922.3919 -109708.3954 298.3987 -161630.7872 -109345.6970 298.7984 -51.9633 -27.7614 761947.5687 -17.0180 -16.9273 PRESSURE: 4084000 -137.693 -140.039 -17.0845 -140.039 -48.7297 -238.11 -17.0846 -238.111 292.055 GPRESSURE: 4084000 -52.2377 -239.291 -39.2059 -138.147 -56.2814 -107.155 -27.1024 -130.494 298.533 PRESSAVG: 4084000 3.11545 -17.577 12.5079 -17.577 -9.83255 -13.3485 12.5079 -13.3485 -11.6292 GPRESSAVG: 4084000 3.6992 -19.0062 9.08293 -16.7295 -10.7315 -11.6828 14.0165 -13.0362 -11.2223 TIMING: 4084000 CPU: 12909.4, 0.00316018/step Wall: 12909.4, 0.00316018/step, 0.804091 hours remaining, 235.964844 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: 4084000 3998.4195 20394.2108 14478.5872 232.2609 -203289.3183 2818.0905 0.0000 0.0000 51797.5695 -109570.1800 297.6813 -161367.7495 -109207.6156 298.9253 35.2108 63.3380 762827.6450 -6.1154 -6.0849 PRESSURE: 4084200 -52.6913 114.438 -60.7394 114.439 -140.665 62.8415 -60.7399 62.8422 -88.0299 GPRESSURE: 4084200 27.3402 85.7752 -67.8461 73.8394 -155.499 157.213 -29.2791 76.0047 -49.7939 PRESSAVG: 4084200 1.55073 -68.8885 9.74339 -68.8885 42.9065 -32.2706 9.74341 -32.2705 -6.79131 GPRESSAVG: 4084200 0.528064 -67.5617 13.373 -70.0497 43.4959 -32.641 9.06482 -29.3677 -6.2945 TIMING: 4084200 CPU: 12910, 0.00318598/step Wall: 12910, 0.00318598/step, 0.810479 hours remaining, 235.964844 MB of memory in use. ENERGY: 4084200 3949.1067 20402.1893 14547.1632 221.6524 -203395.7284 2575.1076 0.0000 0.0000 52147.6907 -109552.8185 299.6935 -161700.5091 -109190.0438 299.2615 -93.7953 -59.3177 761817.9289 12.5553 12.5765 LDB: ============= START OF LOAD BALANCING ============== 12922.6 LDB: ============== END OF LOAD BALANCING =============== 12922.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12922.6 LDB: ============= START OF LOAD BALANCING ============== 12922.9 LDB: Largest compute 7077 load 0.033529 is 17.1% of average load 0.195555 LDB: Average compute 0.004394 is 2.2% of average load 0.195555 LDB: TIME 12922.9 LOAD: AVG 0.195555 MAX 0.216754 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.781 MB LDB: TIME 12922.9 LOAD: AVG 0.195555 MAX 0.216754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: TIME 12922.9 LOAD: AVG 0.195555 MAX 0.216754 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.781 MB LDB: ============== END OF LOAD BALANCING =============== 12922.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12922.9 PRESSURE: 4084400 213.212 236.102 71.3546 236.102 347.567 -33.8559 71.354 -33.8562 400.527 GPRESSURE: 4084400 182.474 238.437 167.273 162.291 404.148 -103.039 -21.4869 -37.0172 439.279 PRESSAVG: 4084400 -28.6315 -59.3807 1.94216 -59.3806 10.8051 -30.4273 1.94217 -30.4272 8.39072 GPRESSAVG: 4084400 -27.4594 -58.0156 0.29317 -58.5064 9.26459 -30.2538 2.49767 -34.4595 8.88881 TIMING: 4084400 CPU: 12910.7, 0.00323084/step Wall: 12910.7, 0.00323084/step, 0.821711 hours remaining, 236.164062 MB of memory in use. ENERGY: 4084400 4030.1862 20634.9665 14357.3144 256.8584 -203743.9486 3010.3939 0.0000 0.0000 51853.6494 -109600.5798 298.0036 -161454.2292 -109243.9241 298.9566 320.4356 341.9667 761908.0147 -3.1452 -3.1020 PRESSURE: 4084600 38.1843 -39.8573 99.7137 -39.857 143.324 11.1048 99.7143 11.1046 -370.319 GPRESSURE: 4084600 45.5107 -4.2117 20.1153 -103.893 108.026 63.481 52.2176 -35.9469 -248.728 PRESSAVG: 4084600 -38.6529 -44.0372 27.7537 -44.0372 66.6392 12.173 27.7537 12.173 10.5702 GPRESSAVG: 4084600 -37.6506 -45.6759 29.075 -43.6416 66.2845 13.7123 26.1657 12.0758 10.1412 TIMING: 4084600 CPU: 12911.3, 0.00318462/step Wall: 12911.3, 0.00318462/step, 0.809779 hours remaining, 236.367188 MB of memory in use. ENERGY: 4084600 3946.4958 20620.5702 14466.8603 234.0450 -203603.1138 2729.6401 0.0000 0.0000 51934.0442 -109671.4582 298.4657 -161605.5024 -109318.9882 299.0108 -62.9370 -31.7302 762261.1131 12.8521 12.9250 PRESSURE: 4084800 -350.797 6.74752 -32.8501 6.7468 -200.677 -238.32 -32.8502 -238.321 287.329 GPRESSURE: 4084800 -349.704 80.5554 -84.1857 -149.807 -172.769 -237.676 -69.0294 -219.148 328.045 PRESSAVG: 4084800 -42.0457 55.1776 27.9687 55.1776 -37.6161 62.0819 27.9687 62.082 -23.6877 GPRESSAVG: 4084800 -42.666 55.5289 27.9438 54.3047 -36.8073 61.8537 28.9766 64.1897 -23.3652 TIMING: 4084800 CPU: 12912, 0.0031907/step Wall: 12912, 0.0031907/step, 0.811148 hours remaining, 236.367188 MB of memory in use. ENERGY: 4084800 4016.2834 20402.0766 14488.3983 254.6924 -203588.0112 2671.0213 0.0000 0.0000 52224.3900 -109531.1492 300.1343 -161755.5392 -109170.5680 298.9281 -88.0482 -64.8093 761195.3702 -34.4499 -34.2795 PRESSURE: 4085000 371.68 -23.8553 78.4908 -23.8552 -182.648 122.764 78.4898 122.763 377.177 GPRESSURE: 4085000 372.555 -59.5321 27.116 -15.3035 -84.9964 87.6197 -62.2993 61.4595 386.866 PRESSAVG: 4085000 25.3465 3.64779 22.4663 3.64781 -29.6083 -4.60118 22.4664 -4.60117 1.18045 GPRESSAVG: 4085000 25.5002 2.67541 21.822 3.15773 -30.4637 -6.94873 21.3353 -7.1461 1.49625 TIMING: 4085000 CPU: 12912.6, 0.00317487/step Wall: 12912.6, 0.00317487/step, 0.806946 hours remaining, 236.367188 MB of memory in use. ENERGY: 4085000 3917.9921 20472.5428 14484.2802 270.4545 -203668.3135 2957.7400 0.0000 0.0000 52064.3706 -109500.9333 299.2147 -161565.3038 -109134.5842 299.1337 188.7364 224.8083 760577.6478 -1.0271 -1.1558 PRESSURE: 4085200 -426.061 110.169 141.23 110.169 -122.615 -78.0881 141.23 -78.0874 -162.21 GPRESSURE: 4085200 -362.294 118.407 152.5 -15.485 -127.642 -102.088 77.5522 -24.2709 -119.024 PRESSAVG: 4085200 112.561 -0.685423 -25.9367 -0.685435 -30.3365 -38.7337 -25.9367 -38.7336 12.1231 GPRESSAVG: 4085200 111.509 -1.54561 -25.2183 0.416338 -29.3373 -35.5733 -24.627 -37.9992 11.7755 TIMING: 4085200 CPU: 12913.2, 0.00317438/step Wall: 12913.2, 0.00317438/step, 0.806645 hours remaining, 236.367188 MB of memory in use. ENERGY: 4085200 3990.7750 20481.6026 14485.6738 229.0764 -203095.1014 2409.3245 0.0000 0.0000 52030.0774 -109468.5717 299.0176 -161498.6491 -109103.5971 299.1185 -236.9617 -202.9870 762702.4275 31.4492 31.3156 PRESSURE: 4085400 116.283 -258.625 -101.629 -258.625 252.573 23.6097 -101.627 23.6097 15.0081 GPRESSURE: 4085400 117.275 -134.691 18.0792 -221.922 354.45 2.21487 -184.365 23.7346 -6.62198 PRESSAVG: 4085400 -43.57 -68.1694 -0.836233 -68.1694 54.3366 -51.0649 -0.836202 -51.0649 18.0792 GPRESSAVG: 4085400 -42.8673 -66.8547 -0.581955 -67.0884 53.6876 -52.7412 -1.28185 -49.2718 18.2587 TIMING: 4085400 CPU: 12913.9, 0.00317931/step Wall: 12913.9, 0.00317931/step, 0.807722 hours remaining, 236.367188 MB of memory in use. ENERGY: 4085400 3967.3288 20352.9968 14546.3161 249.2038 -203565.9048 2770.8543 0.0000 0.0000 52205.7751 -109473.4300 300.0273 -161679.2051 -109111.2565 299.4029 127.9548 155.0343 763206.1024 9.6153 9.6930 PRESSURE: 4085600 -357.715 -89.745 -35.3395 -89.7455 -76.3852 -59.3343 -35.3389 -59.3339 236.167 GPRESSURE: 4085600 -214.605 -229.615 -6.75743 -90.4255 -6.97488 -7.19926 -9.33795 107.144 101.028 PRESSAVG: 4085600 -39.2596 -8.32465 -54.973 -8.32466 24.1889 6.32065 -54.9729 6.32059 -8.17027 GPRESSAVG: 4085600 -39.9997 -7.86429 -56.0329 -9.57016 25.2042 8.13383 -54.2054 4.9233 -7.734 TIMING: 4085600 CPU: 12914.5, 0.00318466/step Wall: 12914.5, 0.00318466/step, 0.808903 hours remaining, 236.367188 MB of memory in use. ENERGY: 4085600 3999.2885 20497.8516 14479.4370 258.8157 -202851.3234 2055.3806 0.0000 0.0000 52115.1924 -109445.3576 299.5067 -161560.5500 -109082.2209 298.9347 -65.9778 -40.1837 762839.7224 -7.7470 -7.5098 PRESSURE: 4085800 -162.865 -119.439 -91.5643 -119.439 -145.693 -46.2707 -91.5651 -46.2706 -144.947 GPRESSURE: 4085800 -18.0295 -271.236 -129.67 -187.892 -171.462 -62.0845 -100.344 74.7757 -181.249 PRESSAVG: 4085800 14.1197 -27.7626 -10.5041 -27.7627 30.8864 -0.813923 -10.5041 -0.814011 9.66953 GPRESSAVG: 4085800 14.1326 -28.7982 -12.1525 -27.3066 30.7512 -2.06077 -9.85964 -0.18673 9.37932 TIMING: 4085800 CPU: 12915.1, 0.00319342/step Wall: 12915.1, 0.00319342/step, 0.81095 hours remaining, 236.367188 MB of memory in use. ENERGY: 4085800 3968.7666 20579.2162 14527.5402 240.3904 -203421.4245 2502.8914 0.0000 0.0000 52225.7668 -109376.8529 300.1422 -161602.6197 -109006.9221 299.0645 -151.1683 -123.5802 761698.1437 18.2252 18.0877 PRESSURE: 4086000 -299.163 156.941 19.4258 156.942 -283.334 8.87958 19.4255 8.87905 -109.405 GPRESSURE: 4086000 -244.514 -4.74787 68.0449 185.539 -211.233 81.9946 -93.1349 113.194 -161.291 PRESSAVG: 4086000 14.8758 -12.0636 47.1555 -12.0637 -24.5312 35.0192 47.1556 35.0192 -7.72249 GPRESSAVG: 4086000 14.3522 -13.4012 50.1311 -11.3998 -23.7934 36.2652 45.7078 36.3237 -7.92203 TIMING: 4086000 CPU: 12915.8, 0.00319219/step Wall: 12915.8, 0.00319219/step, 0.810462 hours remaining, 236.367188 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: 4086000 3982.0943 20480.5569 14534.3726 243.0222 -203420.7998 2629.8321 0.0000 0.0000 52263.7829 -109287.1388 300.3607 -161550.9217 -108920.6534 298.6648 -230.6340 -205.6794 763855.7442 -5.7926 -5.7877 PRESSURE: 4086200 91.3769 -82.2441 -3.00167 -82.2444 49.2788 125.996 -3.00142 125.996 -241.44 GPRESSURE: 4086200 152.039 18.4316 3.05081 -101.743 96.0177 191.265 -284.291 88.1213 -253.752 PRESSAVG: 4086200 25.0227 -27.0183 5.22596 -27.0184 -1.13651 61.0934 5.22592 61.0934 -19.4206 GPRESSAVG: 4086200 25.308 -25.1016 4.86213 -28.1282 -1.56263 60.7869 5.32448 60.458 -19.7781 TIMING: 4086200 CPU: 12916.4, 0.0031791/step Wall: 12916.4, 0.0031791/step, 0.80696 hours remaining, 236.367188 MB of memory in use. ENERGY: 4086200 3982.6309 20451.9089 14472.6752 267.8803 -203241.7030 2690.7671 0.0000 0.0000 52100.9097 -109274.9310 299.4246 -161375.8407 -108906.6398 299.8360 -33.5947 -1.8986 761495.7946 1.4885 1.3224 PRESSURE: 4086400 -110.055 74.8998 -104.418 74.9003 -350.424 79.8816 -104.417 79.8819 -624.475 GPRESSURE: 4086400 -77.8198 15.2528 -79.595 67.549 -260.677 116.993 -62.7472 159.365 -643.649 PRESSAVG: 4086400 -8.61469 -38.4992 36.0524 -38.4992 1.85824 10.6522 36.0525 10.6523 20.4644 GPRESSAVG: 4086400 -9.25711 -39.4908 36.281 -37.1173 3.10292 9.00364 33.753 9.64569 19.8388 TIMING: 4086400 CPU: 12917, 0.00317627/step Wall: 12917, 0.00317627/step, 0.806066 hours remaining, 236.367188 MB of memory in use. ENERGY: 4086400 4000.2400 20449.9815 14439.8232 253.8135 -202995.6670 2359.5954 0.0000 0.0000 52046.3553 -109445.8582 299.1111 -161492.2135 -109082.1585 299.5860 -361.6516 -327.3820 761717.7880 4.5693 4.5615 PRESSURE: 4086600 7.67606 -55.7017 55.422 -55.7017 281.248 -167.752 55.4215 -167.751 -501.475 GPRESSURE: 4086600 127.577 -36.4875 40.0114 -87.7021 239.128 -156.298 -23.1388 -331.474 -508.776 PRESSAVG: 4086600 -8.74576 -17.3084 -11.7212 -17.3085 52.2961 -16.5892 -11.7212 -16.5892 9.10384 GPRESSAVG: 4086600 -6.20817 -14.5548 -11.8257 -19.1469 50.5111 -15.1023 -9.12767 -17.3636 8.90677 TIMING: 4086600 CPU: 12917.7, 0.00316946/step Wall: 12917.7, 0.00316946/step, 0.804163 hours remaining, 236.367188 MB of memory in use. ENERGY: 4086600 4053.1372 20515.9280 14476.8907 231.9403 -203440.3272 2550.6096 0.0000 0.0000 52046.4708 -109565.3506 299.1118 -161611.8214 -109206.8569 299.4299 -70.8504 -47.3571 760591.1140 17.5514 17.7366 PRESSURE: 4086800 -316.741 157.669 -152.312 157.669 -90.1559 39.9737 -152.312 39.973 64.6651 GPRESSURE: 4086800 -307.01 104.755 -133.247 273.131 12.9187 90.9186 -178.093 112.807 42.804 PRESSAVG: 4086800 -2.05913 35.4574 -8.7662 35.4574 -35.1649 -38.8258 -8.76624 -38.8259 -18.9209 GPRESSAVG: 4086800 -4.64444 32.6286 -8.09885 36.3044 -34.0364 -40.0768 -8.60593 -36.8558 -18.1886 TIMING: 4086800 CPU: 12918.3, 0.00316589/step Wall: 12918.3, 0.00316589/step, 0.803081 hours remaining, 236.367188 MB of memory in use. ENERGY: 4086800 3992.4875 20643.9423 14421.4833 245.1885 -203200.2828 2417.1317 0.0000 0.0000 52185.8762 -109294.1732 299.9129 -161480.0494 -108933.6264 299.0461 -114.0772 -83.7623 760743.1004 -18.7150 -18.9565 PRESSURE: 4087000 207.536 46.3705 9.05597 46.3709 163.804 -17.4226 9.05679 -17.4227 351.619 GPRESSURE: 4087000 206.845 -8.97013 -33.2016 30.2382 164.806 -71.5804 157.851 76.881 442.449 PRESSAVG: 4087000 35.1799 -14.9308 -18.4863 -14.9308 11.0461 -2.733 -18.4862 -2.73307 27.4929 GPRESSAVG: 4087000 37.3109 -16.114 -20.3992 -15.4017 8.5578 -2.25377 -16.6094 -1.92514 27.4122 TIMING: 4087000 CPU: 12918.9, 0.00315937/step Wall: 12918.9, 0.00315937/step, 0.801252 hours remaining, 236.367188 MB of memory in use. ENERGY: 4087000 4023.6836 20628.4911 14512.9864 264.3699 -203077.2426 2431.5462 0.0000 0.0000 52138.3544 -109077.8110 299.6398 -161216.1654 -108728.3444 299.6855 240.9864 271.3670 760379.3190 24.5730 24.4269 PRESSURE: 4087200 -19.065 32.4081 347.259 32.4085 -315.37 29.7933 347.26 29.7929 -455.197 GPRESSURE: 4087200 -72.4924 129.616 411.212 55.2144 -269.645 27.9379 164.276 9.40447 -365.671 PRESSAVG: 4087200 -2.26912 -30.2682 35.8843 -30.2682 11.1695 46.1204 35.8843 46.1205 7.18538 GPRESSAVG: 4087200 -3.95629 -27.0382 36.673 -31.5478 13.0748 45.5973 32.6409 43.5238 6.70339 TIMING: 4087200 CPU: 12919.6, 0.00317401/step Wall: 12919.6, 0.00317401/step, 0.804787 hours remaining, 236.367188 MB of memory in use. ENERGY: 4087200 4002.8497 20571.3477 14518.1826 236.4475 -203172.9571 2640.5857 0.0000 0.0000 52345.1831 -108858.3608 300.8285 -161203.5440 -108498.4341 300.3400 -263.2107 -235.9364 762361.8397 5.3619 5.2740 PRESSURE: 4087400 -22.2267 228.424 61.7595 228.424 -258.651 -283.383 61.7597 -283.382 -55.0793 GPRESSURE: 4087400 23.6776 206.51 12.4125 123.308 -192.702 -243.224 81.8394 -307.759 -75.6854 PRESSAVG: 4087400 -1.60464 9.17351 10.1288 9.1735 32.0873 9.56057 10.1288 9.56055 4.08631 GPRESSAVG: 4087400 -1.39357 7.63776 11.6323 10.1476 31.5834 10.2691 12.4371 11.3741 5.05166 TIMING: 4087400 CPU: 12920.2, 0.0031641/step Wall: 12920.2, 0.0031641/step, 0.802099 hours remaining, 236.367188 MB of memory in use. ENERGY: 4087400 3989.9503 20776.3028 14505.5554 249.9083 -202795.5391 2145.0653 0.0000 0.0000 52052.6377 -109076.1191 299.1472 -161128.7569 -108722.2972 299.9236 -111.9858 -81.5699 759785.8918 11.5230 11.7472 PRESSURE: 4087600 -34.9493 -111.493 -166.683 -111.494 226.688 32.7811 -166.684 32.7805 -16.8674 GPRESSURE: 4087600 48.4182 -76.4731 -155.269 -56.8165 194.713 3.6888 -139.209 -81.7131 -6.29422 PRESSAVG: 4087600 -12.5514 -20.249 35.6807 -20.2489 5.67766 -9.5409 35.6807 -9.541 12.0407 GPRESSAVG: 4087600 -13.3788 -20.1816 33.4097 -20.2096 6.49618 -9.76844 34.7812 -10.926 11.4842 TIMING: 4087600 CPU: 12920.8, 0.00316588/step Wall: 12920.8, 0.00316588/step, 0.802375 hours remaining, 236.367188 MB of memory in use. ENERGY: 4087600 4052.8967 20526.7522 14527.4957 252.4272 -203527.8306 2692.7850 0.0000 0.0000 52136.8725 -109338.6013 299.6313 -161475.4739 -108965.9466 299.4305 58.2903 78.9456 759817.0035 1.7223 1.5338 PRESSURE: 4087800 165.628 259.394 -92.6757 259.394 68.4603 -76.697 -92.6765 -76.6969 -289.346 GPRESSURE: 4087800 125.838 284.354 -135.504 183.262 155.013 -211.29 -40.294 -179.427 -272.858 PRESSAVG: 4087800 -21.571 -5.52548 -76.8103 -5.52559 53.6194 13.7858 -76.8103 13.7858 22.0039 GPRESSAVG: 4087800 -20.0805 -6.34222 -75.5362 -6.36244 53.1882 13.835 -75.7855 12.708 20.95 TIMING: 4087800 CPU: 12921.5, 0.00317422/step Wall: 12921.5, 0.00317422/step, 0.804311 hours remaining, 236.367188 MB of memory in use. ENERGY: 4087800 3940.3220 20615.4367 14507.1171 240.3069 -203338.5957 2644.5075 0.0000 0.0000 51901.1846 -109489.7209 298.2768 -161390.9055 -109135.6785 299.2411 -18.4193 2.6646 762713.9666 18.0174 18.0192 PRESSURE: 4088000 -388.181 185.785 -116.016 185.785 28.6072 -319.332 -116.016 -319.331 -75.2352 GPRESSURE: 4088000 -358.758 162.999 -110.789 141.371 -2.59442 -249.942 -59.8603 -293.684 3.41234 PRESSAVG: 4088000 -5.40918 24.7638 -28.073 24.7638 0.143472 -26.1762 -28.0729 -26.1762 -20.382 GPRESSAVG: 4088000 -6.38713 25.0727 -27.4011 25.3476 -0.493016 -26.47 -27.3133 -26.1116 -19.3947 TIMING: 4088000 CPU: 12922.1, 0.00316751/step Wall: 12922.1, 0.00316751/step, 0.802436 hours remaining, 236.367188 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: 4088000 4035.2188 20703.0132 14440.2071 251.1389 -203609.3020 2698.8117 0.0000 0.0000 52175.7271 -109305.1853 299.8546 -161480.9124 -108946.2883 299.3535 -144.9363 -119.3132 760635.0887 -8.5492 -8.7583 PRESSURE: 4088200 -79.8006 -172.978 -105.538 -172.979 -296.639 -73.2437 -105.537 -73.2445 286.475 GPRESSURE: 4088200 -138.696 -165.925 12.2597 -133.652 -182.233 -37.4072 -16.5867 0.655547 341.172 PRESSAVG: 4088200 -42.5625 -19.3598 -9.01113 -19.3598 84.4987 -33.7087 -9.01103 -33.7088 -10.4567 GPRESSAVG: 4088200 -44.2717 -18.06 -10.257 -19.2267 86.0193 -34.4014 -9.08153 -31.5475 -10.4641 TIMING: 4088200 CPU: 12922.8, 0.00318209/step Wall: 12922.8, 0.00318209/step, 0.805952 hours remaining, 236.367188 MB of memory in use. ENERGY: 4088200 3956.2702 20423.2409 14575.3712 236.4319 -203493.4119 2773.8767 0.0000 0.0000 52230.7188 -109297.5021 300.1707 -161528.2209 -108942.8282 299.8504 -29.9883 6.7475 762488.7693 10.4931 10.4279 LDB: ============= START OF LOAD BALANCING ============== 12935.3 LDB: ============== END OF LOAD BALANCING =============== 12935.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12935.3 LDB: ============= START OF LOAD BALANCING ============== 12935.6 LDB: Largest compute 7058 load 0.034342 is 17.6% of average load 0.195636 LDB: Average compute 0.004397 is 2.2% of average load 0.195636 LDB: TIME 12935.6 LOAD: AVG 0.195636 MAX 0.217945 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.586 MB LDB: TIME 12935.6 LOAD: AVG 0.195636 MAX 0.217945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: TIME 12935.6 LOAD: AVG 0.195636 MAX 0.217945 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: ============== END OF LOAD BALANCING =============== 12935.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12935.6 PRESSURE: 4088400 -446.975 -144.245 -211.901 -144.245 -306.955 -93.3391 -211.9 -93.3394 -83.8084 GPRESSURE: 4088400 -403.074 -76.9718 -138.346 -225.032 -293.953 -71.6136 -255.717 -34.0868 -26.9488 PRESSAVG: 4088400 -1.8118 -1.27282 29.7396 -1.27285 1.2202 -35.5446 29.7397 -35.5446 -7.82072 GPRESSAVG: 4088400 -1.16358 -2.68897 29.376 -0.234444 -0.377512 -32.9304 30.0202 -36.3308 -6.38852 TIMING: 4088400 CPU: 12923.4, 0.0032301/step Wall: 12923.4, 0.0032301/step, 0.817934 hours remaining, 236.164062 MB of memory in use. ENERGY: 4088400 4028.4111 20487.3175 14498.7272 260.2055 -202882.8143 2334.4598 0.0000 0.0000 51844.2719 -109429.4213 297.9497 -161273.6931 -109065.0520 299.4828 -279.2460 -241.3254 762745.7647 -2.8041 -2.6432 PRESSURE: 4088600 343.583 -43.7936 54.5929 -43.7936 -57.0717 -146.469 54.5918 -146.47 156.187 GPRESSURE: 4088600 395.966 -68.8301 87.681 -60.0731 50.1224 -124.447 -80.7391 -274.612 93.7949 PRESSAVG: 4088600 1.04553 -49.8055 23.2418 -49.8054 -9.59269 -35.8094 23.2418 -35.8094 5.25393 GPRESSAVG: 4088600 3.03712 -49.1811 23.237 -51.0508 -10.1875 -38.517 20.4557 -37.0383 3.79317 TIMING: 4088600 CPU: 12924, 0.00315982/step Wall: 12924, 0.00315982/step, 0.79996 hours remaining, 236.402344 MB of memory in use. ENERGY: 4088600 3979.4440 20446.8018 14541.5404 265.4287 -202900.2299 2488.2843 0.0000 0.0000 51936.5891 -109242.1417 298.4803 -161178.7308 -108883.9825 299.4796 147.5664 179.9612 760589.7525 -1.0977 -1.1191 PRESSURE: 4088800 157.234 77.9983 176.845 77.9973 199.559 -38.2294 176.845 -38.2293 72.1525 GPRESSURE: 4088800 145.907 -11.7251 202.517 28.7244 180.72 -78.5357 175.744 134.812 160.593 PRESSAVG: 4088800 -30.2728 -45.3953 -7.87597 -45.3954 62.1032 -19.3454 -7.87592 -19.3455 3.4256 GPRESSAVG: 4088800 -31.5778 -45.1589 -8.67386 -43.3995 63.2032 -18.3416 -5.97979 -20.7708 4.34139 TIMING: 4088800 CPU: 12924.7, 0.00316978/step Wall: 12924.7, 0.00316978/step, 0.802307 hours remaining, 236.566406 MB of memory in use. ENERGY: 4088800 3974.8214 20518.1789 14572.7534 274.9095 -202983.2103 2341.4216 0.0000 0.0000 52050.9083 -109250.2172 299.1373 -161301.1255 -108886.4825 299.2834 142.9820 162.4067 760652.4998 11.7520 11.9889 PRESSURE: 4089000 -135.975 -8.88202 -204.212 -8.882 -96.2646 -88.1499 -204.211 -88.15 23.9625 GPRESSURE: 4089000 -72.6827 -86.8043 -244.62 23.9034 -80.2311 -19.3772 -161.661 -283.124 41.2969 PRESSAVG: 4089000 -24.5159 -29.1247 -7.17927 -29.1248 33.4295 11.6889 -7.17928 11.6889 -26.1154 GPRESSAVG: 4089000 -25.1109 -27.8155 -7.66745 -31.0871 33.5934 10.9141 -8.52308 15.0193 -25.6039 TIMING: 4089000 CPU: 12925.3, 0.00316927/step Wall: 12925.3, 0.00316927/step, 0.802001 hours remaining, 236.636719 MB of memory in use. ENERGY: 4089000 3969.3621 20530.4368 14557.3912 247.5935 -203104.4535 2383.0001 0.0000 0.0000 52025.3676 -109391.3022 298.9905 -161416.6698 -109032.5373 299.0603 -69.4256 -37.2056 761480.6952 -5.7340 -5.7071 PRESSURE: 4089200 -172.877 64.465 -18.8123 64.465 45.2735 178.988 -18.8135 178.987 417.152 GPRESSURE: 4089200 -117.868 76.8279 -37.7181 104.177 50.6726 172.629 97.7043 177.362 433.855 PRESSAVG: 4089200 -33.744 23.1522 32.3845 23.1522 53.6986 30.0528 32.3846 30.0528 5.54255 GPRESSAVG: 4089200 -33.2972 20.1215 33.4038 25.292 52.9953 31.4705 35.5329 28.0336 5.61653 TIMING: 4089200 CPU: 12925.9, 0.00317246/step Wall: 12925.9, 0.00317246/step, 0.802633 hours remaining, 236.636719 MB of memory in use. ENERGY: 4089200 3959.5993 20510.0074 14449.6131 217.6326 -203174.7711 2314.9398 0.0000 0.0000 52275.3764 -109447.6026 300.4273 -161722.9790 -109081.1531 298.8106 96.5162 122.2199 760664.9527 8.4990 8.4382 PRESSURE: 4089400 -223.236 -75.1411 -0.71191 -75.1415 -29.8343 -187.72 -0.712514 -187.72 30.4864 GPRESSURE: 4089400 -96.6312 -53.2675 23.0535 -93.8035 -53.7392 -179.99 -0.114446 -94.1543 30.1024 PRESSAVG: 4089400 -69.2702 18.5869 18.2467 18.5869 54.4069 2.90203 18.2467 2.90202 13.3239 GPRESSAVG: 4089400 -68.4331 22.2859 17.6339 16.3454 54.7929 1.89127 18.6981 5.05221 11.9448 TIMING: 4089400 CPU: 12926.6, 0.003173/step Wall: 12926.6, 0.003173/step, 0.802593 hours remaining, 236.636719 MB of memory in use. ENERGY: 4089400 3929.4108 20489.5982 14529.9422 248.1557 -203619.7499 2732.2620 0.0000 0.0000 52032.8450 -109657.5358 299.0335 -161690.3809 -109300.9914 299.0859 -74.1948 -40.0893 761008.2929 -0.5131 -0.5652 PRESSURE: 4089600 -382.401 -31.779 -14.2596 -31.7794 39.9866 -97.7419 -14.2601 -97.7425 -212.989 GPRESSURE: 4089600 -280.463 47.3286 31.6534 -4.65647 -19.5078 -206.971 -70.3326 -43.1523 -183.07 PRESSAVG: 4089600 -39.3843 42.4734 24.6526 42.4735 70.5795 -2.90189 24.6527 -2.90184 -3.36914 GPRESSAVG: 4089600 -39.4358 39.378 24.5988 43.4676 70.121 -2.62505 22.5777 -3.61617 -2.69625 TIMING: 4089600 CPU: 12927.2, 0.00317468/step Wall: 12927.2, 0.00317468/step, 0.802842 hours remaining, 236.636719 MB of memory in use. ENERGY: 4089600 3957.4991 20496.0540 14473.5322 236.9521 -203251.2613 2424.9175 0.0000 0.0000 52053.0786 -109609.2278 299.1498 -161662.3064 -109239.7991 298.7947 -185.1344 -161.0136 762099.2975 9.2754 9.3297 PRESSURE: 4089800 -290.518 -64.3462 27.3545 -64.3469 -81.518 -34.7054 27.3544 -34.7048 0.981467 GPRESSURE: 4089800 -311.152 60.1206 172.796 118.12 66.4004 -6.40535 -172.801 -246.747 -58.8351 PRESSAVG: 4089800 -21.6259 -7.18991 39.9867 -7.18992 15.5927 -42.2202 39.9867 -42.2202 -7.73547 GPRESSAVG: 4089800 -23.2839 -6.45403 40.5604 -6.40417 17.6121 -40.6437 38.3474 -43.1846 -8.27773 TIMING: 4089800 CPU: 12927.8, 0.00319011/step Wall: 12927.8, 0.00319011/step, 0.806567 hours remaining, 236.636719 MB of memory in use. ENERGY: 4089800 4005.3607 20685.7489 14478.0895 249.9371 -203431.2709 2553.4218 0.0000 0.0000 51989.6043 -109469.1086 298.7850 -161458.7129 -109106.8118 299.1838 -123.6848 -101.1957 760005.0505 -4.5896 -4.6498 PRESSURE: 4090000 -120 73.3507 -98.0055 73.3508 148.251 -15.9532 -98.0047 -15.9533 375.489 GPRESSURE: 4090000 -64.7717 14.524 -42.1887 -8.18296 119.735 32.6262 -153.698 -31.1746 435.663 PRESSAVG: 4090000 -24.7871 3.14414 18.424 3.14414 59.8216 -11.4339 18.424 -11.4339 -12.6704 GPRESSAVG: 4090000 -24.1088 3.66287 18.1126 1.58339 58.2615 -14.152 19.4721 -10.2743 -12.3423 TIMING: 4090000 CPU: 12928.5, 0.0031878/step Wall: 12928.5, 0.0031878/step, 0.805804 hours remaining, 236.636719 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: 4090000 3902.4995 20574.0779 14470.5952 217.4338 -203339.4453 2349.5351 0.0000 0.0000 51971.5739 -109853.7299 298.6813 -161825.3038 -109484.6380 298.8204 134.5798 163.5420 761503.3225 7.4547 7.2701 PRESSURE: 4090200 -33.5684 138.044 -68.8711 138.044 125.637 -83.8966 -68.871 -83.8982 377.428 GPRESSURE: 4090200 -1.37431 58.2733 -77.7466 136.718 287.925 -89.5302 -10.2494 -96.9624 281.915 PRESSAVG: 4090200 -44.7584 -37.2709 32.9629 -37.2708 53.49 -29.5203 32.9629 -29.5204 -11.3056 GPRESSAVG: 4090200 -45.0796 -38.1698 33.7606 -36.8321 53.8571 -29.5929 32.5854 -29.7076 -11.0707 TIMING: 4090200 CPU: 12929.1, 0.00315839/step Wall: 12929.1, 0.00315839/step, 0.798196 hours remaining, 236.636719 MB of memory in use. ENERGY: 4090200 3965.7418 20400.5509 14472.9168 237.8936 -203339.8854 2592.3381 0.0000 0.0000 52005.3067 -109665.1375 298.8752 -161670.4442 -109290.4585 298.4891 156.4988 189.4886 760249.8735 -0.8580 -0.7644 PRESSURE: 4090400 52.1936 86.4383 68.4202 86.438 -449.703 28.5291 68.4202 28.5294 112.453 GPRESSURE: 4090400 92.5877 52.5419 127.999 75.3305 -328.635 -61.644 -25.5639 -19.5682 56.5902 PRESSAVG: 4090400 30.0521 -15.6422 9.06162 -15.6422 -0.622284 -4.08937 9.06166 -4.08939 11.5734 GPRESSAVG: 4090400 30.1058 -15.9617 8.27881 -13.5801 -0.150674 -5.21366 11.0085 -4.09792 11.2235 TIMING: 4090400 CPU: 12929.7, 0.00315354/step Wall: 12929.7, 0.00315354/step, 0.796794 hours remaining, 236.636719 MB of memory in use. ENERGY: 4090400 4019.4591 20581.4659 14422.5740 233.9273 -203485.9082 2533.1845 0.0000 0.0000 52065.6712 -109629.6262 299.2221 -161695.2974 -109264.2624 299.0852 -95.0190 -59.8191 759121.7532 13.6677 13.7262 PRESSURE: 4090600 -175.349 -15.382 280.769 -15.382 158.684 87.6577 280.768 87.6578 0.28494 GPRESSURE: 4090600 -133.265 -117.966 284.611 112.522 170.824 -80.7594 286.402 121.511 48.6963 PRESSAVG: 4090600 10.6685 48.9255 25.5743 48.9255 -10.9988 -44.1884 25.5743 -44.1884 -6.00242 GPRESSAVG: 4090600 10.3331 48.1954 24.4709 47.4239 -11.0143 -45.0186 25.052 -43.4918 -5.11198 TIMING: 4090600 CPU: 12930.4, 0.00317758/step Wall: 12930.4, 0.00317758/step, 0.802693 hours remaining, 236.636719 MB of memory in use. ENERGY: 4090600 3979.1783 20414.3865 14482.7853 242.3356 -203299.3009 2681.2153 0.0000 0.0000 51921.0972 -109578.3026 298.3913 -161499.3998 -109211.4755 299.2350 -5.4601 28.7517 761492.6463 -2.1109 -1.9310 PRESSURE: 4090800 197 -49.8478 -146.394 -49.8487 194.88 -130.497 -146.394 -130.496 -102.964 GPRESSURE: 4090800 265.696 -64.327 -92.7145 -84.46 267.09 -170.735 -108.466 -9.85256 -174.905 PRESSAVG: 4090800 -46.1433 55.8502 -20.9856 55.8502 94.4734 9.88099 -20.9857 9.88098 11.7928 GPRESSAVG: 4090800 -44.6821 57.5316 -18.0294 54.6193 94.6689 11.1289 -21.7635 9.59242 10.1392 TIMING: 4090800 CPU: 12931, 0.00315691/step Wall: 12931, 0.00315691/step, 0.797296 hours remaining, 236.636719 MB of memory in use. ENERGY: 4090800 3957.2843 20526.1321 14447.3375 241.7364 -203497.4387 2781.3944 0.0000 0.0000 52136.8653 -109406.6888 299.6313 -161543.5541 -109033.3881 299.2931 96.3055 119.2937 761036.4614 20.0410 20.0420 PRESSURE: 4091000 -166.801 130.15 48.8096 130.151 -56.8995 230.673 48.8099 230.673 -53.6048 GPRESSURE: 4091000 -87.908 194.515 42.7962 131.864 -96.5761 196.25 -10.0056 238.338 16.5671 PRESSAVG: 4091000 -47.2266 7.92507 -33.0022 7.92505 13.2443 -25.8859 -33.0022 -25.886 -10.0758 GPRESSAVG: 4091000 -48.4863 8.06428 -35.3232 8.58992 13.9688 -26.7267 -34.283 -24.943 -9.33524 TIMING: 4091000 CPU: 12931.6, 0.00316368/step Wall: 12931.6, 0.00316368/step, 0.798829 hours remaining, 236.636719 MB of memory in use. ENERGY: 4091000 4032.1954 20436.7779 14436.5093 235.0272 -203011.8335 2405.5401 0.0000 0.0000 52102.6259 -109363.1578 299.4345 -161465.7837 -109002.7525 299.6593 -92.4350 -55.9723 760552.7091 -14.6860 -14.6176 PRESSURE: 4091200 221.87 66.1256 80.667 66.1259 -108.616 -61.3841 80.6661 -61.3848 -133.092 GPRESSURE: 4091200 283.081 17.2336 35.9344 65.5557 -143.468 -47.8587 143.495 -206.625 -77.0468 PRESSAVG: 4091200 -0.00217996 -25.4691 7.26672 -25.4691 -22.0263 37.8138 7.26661 37.8138 -0.805246 GPRESSAVG: 4091200 1.30013 -27.5853 7.12106 -25.1799 -21.7012 38.991 8.82756 37.0159 -1.5173 TIMING: 4091200 CPU: 12932.3, 0.00316516/step Wall: 12932.3, 0.00316516/step, 0.799026 hours remaining, 236.636719 MB of memory in use. ENERGY: 4091200 3969.6546 20500.3550 14370.4985 246.7577 -203084.5171 2571.4930 0.0000 0.0000 52133.8290 -109291.9295 299.6138 -161425.7584 -108923.0707 299.5038 -6.6124 20.8554 762841.2903 -7.6112 -7.3061 PRESSURE: 4091400 93.0733 -70.501 -163.274 -70.5004 -167.378 16.9949 -163.274 16.9943 284.323 GPRESSURE: 4091400 118.814 24.1112 -261.857 -68.4014 -136.204 103.051 -89.2914 -80.5428 297.011 PRESSAVG: 4091400 -57.9811 34.5135 -22.6083 34.5135 36.3347 -4.46094 -22.6083 -4.46099 -3.26308 GPRESSAVG: 4091400 -58.4998 37.452 -22.9575 34.2104 36.6556 -5.51188 -22.437 -3.20137 -2.49938 TIMING: 4091400 CPU: 12932.9, 0.00316003/step Wall: 12932.9, 0.00316003/step, 0.797557 hours remaining, 236.636719 MB of memory in use. ENERGY: 4091400 3923.9574 20657.2662 14464.4443 210.8131 -203395.7239 2571.4758 0.0000 0.0000 52280.6316 -109287.1355 300.4575 -161567.7671 -108916.2698 298.8634 70.0063 93.2073 761744.4433 -8.3031 -8.1145 PRESSURE: 4091600 -284.907 -12.267 -65.9943 -12.2674 -34.4127 -42.138 -65.9943 -42.1381 79.6895 GPRESSURE: 4091600 -237.267 -84.0569 -53.3233 22.3541 -46.9848 -66.1935 -93.2408 -97.8127 146.773 PRESSAVG: 4091600 -56.7159 -51.0756 -25.5662 -51.0756 36.2626 -65.333 -25.5662 -65.3329 19.0194 GPRESSAVG: 4091600 -55.893 -51.9373 -25.2975 -49.597 35.6179 -64.4591 -26.2023 -66.1698 19.7051 TIMING: 4091600 CPU: 12933.5, 0.00314996/step Wall: 12933.5, 0.00314996/step, 0.794839 hours remaining, 236.636719 MB of memory in use. ENERGY: 4091600 3915.1922 20528.5818 14497.3893 231.5460 -202948.3999 2398.9296 0.0000 0.0000 51980.5701 -109396.1910 298.7331 -161376.7611 -109037.6230 299.3230 -79.8767 -45.8261 763443.8675 -0.4780 -0.1900 PRESSURE: 4091800 -404.876 70.7901 135.257 70.7901 20.0529 -112.231 135.258 -112.232 -107.66 GPRESSURE: 4091800 -346.879 -16.7048 154.829 55.7983 32.8318 -90.8213 128.62 -66.9301 -90.4408 PRESSAVG: 4091800 -35.0327 -37.8522 -44.9795 -37.8522 44.9887 -37.6463 -44.9795 -37.6463 3.9038 GPRESSAVG: 4091800 -35.5803 -37.617 -46.6588 -40.3644 45.4055 -36.6896 -44.2403 -37.3568 3.5374 TIMING: 4091800 CPU: 12934.2, 0.00316062/step Wall: 12934.2, 0.00316062/step, 0.797355 hours remaining, 236.636719 MB of memory in use. ENERGY: 4091800 3993.2446 20639.3044 14448.6556 247.0684 -203236.0104 2528.1507 0.0000 0.0000 51900.9968 -109478.5899 298.2757 -161379.5867 -109107.2129 299.1132 -164.1611 -134.8293 761579.9764 4.6200 4.4542 PRESSURE: 4092000 -1.36406 -87.3121 -255.116 -87.3124 -268.757 -69.6823 -255.116 -69.6841 -158.949 GPRESSURE: 4092000 -26.8297 -104.348 -232.6 -71.5988 -205.336 -44.8607 -224.928 -13.8656 -123.738 PRESSAVG: 4092000 -48.0682 -46.1939 -8.05221 -46.1939 53.9344 -57.4556 -8.05219 -57.4557 3.1307 GPRESSAVG: 4092000 -47.019 -45.859 -6.42677 -45.6098 53.3201 -57.9175 -7.47761 -58.2004 2.09433 TIMING: 4092000 CPU: 12934.8, 0.00316385/step Wall: 12934.8, 0.00316385/step, 0.797994 hours remaining, 236.636719 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: 4092000 4021.1684 20525.9012 14497.7448 229.3556 -203375.6090 2672.4031 0.0000 0.0000 52245.4459 -109183.5900 300.2553 -161429.0358 -108821.2600 299.1991 -143.0233 -118.6348 763624.3891 2.9989 2.7985 PRESSURE: 4092200 -35.0967 -91.8118 81.2641 -91.8125 277.214 28.1467 81.2637 28.1477 30.3296 GPRESSURE: 4092200 -16.251 -221.91 91.5137 -81.6769 301.119 -26.2016 78.2494 159.566 96.9566 PRESSAVG: 4092200 -10.0179 -27.9204 5.1539 -27.9203 15.1087 -46.2744 5.15386 -46.2744 -3.55792 GPRESSAVG: 4092200 -10.742 -27.7723 6.86618 -26.0284 14.7902 -47.2388 3.63553 -44.5597 -2.43141 TIMING: 4092200 CPU: 12935.4, 0.00316025/step Wall: 12935.4, 0.00316025/step, 0.796909 hours remaining, 236.636719 MB of memory in use. ENERGY: 4092200 4043.5887 20596.4142 14566.9724 251.3443 -203334.3075 2626.3804 0.0000 0.0000 52183.6923 -109065.9153 299.9004 -161249.6076 -108703.6693 300.1836 90.8158 127.2750 761922.9572 0.5109 0.5390 LDB: ============= START OF LOAD BALANCING ============== 12948 LDB: ============== END OF LOAD BALANCING =============== 12948 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12948 LDB: ============= START OF LOAD BALANCING ============== 12948.3 LDB: Largest compute 7077 load 0.035054 is 17.9% of average load 0.195620 LDB: Average compute 0.004406 is 2.3% of average load 0.195620 LDB: TIME 12948.3 LOAD: AVG 0.19562 MAX 0.215834 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 12948.3 LOAD: AVG 0.19562 MAX 0.215834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 12948.3 LOAD: AVG 0.19562 MAX 0.215834 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 12948.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12948.3 PRESSURE: 4092400 -6.65619 147.313 -71.8995 147.313 -275.743 -90.4699 -71.8993 -90.4697 140.602 GPRESSURE: 4092400 11.9159 141.62 -29.4394 133.798 -169.696 -44.4065 36.6092 -93.4137 79.8844 PRESSAVG: 4092400 -48.92 -56.6083 15.2511 -56.6084 30.8324 -52.8018 15.2511 -52.8018 19.78 GPRESSAVG: 4092400 -49.2348 -58.9852 13.7317 -55.4503 32.0642 -51.9798 17.0339 -53.0543 19.1933 TIMING: 4092400 CPU: 12936.1, 0.00324532/step Wall: 12936.1, 0.00324532/step, 0.818181 hours remaining, 238.285156 MB of memory in use. ENERGY: 4092400 4050.8125 20506.7737 14587.5778 255.8819 -203199.3718 2435.7019 0.0000 0.0000 52403.8969 -108958.7270 301.1659 -161362.6239 -108587.1299 299.9826 -47.2660 -25.9652 764654.2074 0.5642 0.6743 PRESSURE: 4092600 -74.372 -227.828 66.0862 -227.828 75.6485 -93.675 66.0855 -93.6754 -234.944 GPRESSURE: 4092600 -65.3725 -46.2886 151.797 -84.7813 119.24 -140.067 9.56471 -38.2076 -199.201 PRESSAVG: 4092600 -41.5819 -4.23424 18.851 -4.23428 16.8976 29.5987 18.851 29.5986 3.76463 GPRESSAVG: 4092600 -43.2313 -1.80472 18.4579 -4.25754 17.173 29.3944 19.4251 28.6543 4.77556 TIMING: 4092600 CPU: 12936.7, 0.00315306/step Wall: 12936.7, 0.00315306/step, 0.794747 hours remaining, 238.285156 MB of memory in use. ENERGY: 4092600 3974.2516 20508.6051 14577.9428 247.4970 -203407.6836 2628.8055 0.0000 0.0000 52347.1631 -109123.4184 300.8399 -161470.5815 -108750.6591 300.2974 -77.8892 -48.4445 762608.2028 -6.9732 -7.0943 PRESSURE: 4092800 -2.82452 -122.283 268.411 -122.283 270.042 133.993 268.411 133.993 121.798 GPRESSURE: 4092800 16.0634 -66.9464 311.203 -183.915 346.419 74.4087 163.245 -3.36754 138.372 PRESSAVG: 4092800 -39.3765 -50.9506 56.1641 -50.9505 51.8192 -61.8855 56.1641 -61.8855 13.4126 GPRESSAVG: 4092800 -38.3371 -51.2212 57.1151 -52.7406 51.5069 -61.8705 54.793 -63.4437 12.3136 TIMING: 4092800 CPU: 12937.3, 0.00315038/step Wall: 12937.3, 0.00315039/step, 0.793897 hours remaining, 238.355469 MB of memory in use. ENERGY: 4092800 3988.7111 20596.9563 14572.7139 241.0489 -203369.2646 2740.7006 0.0000 0.0000 52092.3089 -109136.8249 299.3752 -161229.1338 -108774.4948 300.1317 129.6717 166.9515 762660.8561 8.6184 8.4945 PRESSURE: 4093000 144.472 -56.2995 9.41743 -56.2994 -19.7828 -146.962 9.41733 -146.963 227.532 GPRESSURE: 4093000 262.849 70.1974 -89.3714 -56.9276 -50.0704 -199.965 68.083 -37.1633 212.734 PRESSAVG: 4093000 -29.1206 -19.7624 22.1156 -19.7624 -3.82213 -21.3208 22.1156 -21.3208 13.7628 GPRESSAVG: 4093000 -29.2491 -20.0417 20.931 -20.2342 -4.50609 -21.457 23.6247 -19.8001 13.9744 TIMING: 4093000 CPU: 12938, 0.00316267/step Wall: 12938, 0.00316267/step, 0.796816 hours remaining, 238.355469 MB of memory in use. ENERGY: 4093000 3944.7242 20492.3086 14572.4036 241.5641 -203661.3100 2904.4665 0.0000 0.0000 52313.3428 -109192.5000 300.6455 -161505.8428 -108820.9128 300.0291 117.4068 141.8375 761995.2877 -6.3933 -6.5936 PRESSURE: 4093200 -87.4494 -289.109 99.8584 -289.109 34.3722 183.576 99.8582 183.576 3.64055 GPRESSURE: 4093200 -96.1305 -230.815 44.4448 -252.852 98.6145 191.716 219.796 155.981 25.6057 PRESSAVG: 4093200 -29.2208 -84.6271 64.9852 -84.6271 2.46548 54.4675 64.9852 54.4675 25.7118 GPRESSAVG: 4093200 -29.0873 -85.5014 64.2817 -82.441 1.25797 53.3312 65.4689 55.7513 26.9683 TIMING: 4093200 CPU: 12938.6, 0.00317061/step Wall: 12938.6, 0.00317061/step, 0.798642 hours remaining, 238.355469 MB of memory in use. ENERGY: 4093200 3967.4537 20592.3262 14476.8921 239.4007 -203390.7307 2792.3165 0.0000 0.0000 52211.2485 -109111.0930 300.0588 -161322.3415 -108745.2071 299.7669 -16.4789 9.3632 761703.2954 -0.3479 -0.2870 PRESSURE: 4093400 79.0969 -87.9233 103.362 -87.923 -88.431 -6.47579 103.362 -6.4752 39.3466 GPRESSURE: 4093400 47.0104 -133.213 31.0756 -39.0489 71.4387 -5.05838 -76.8489 -41.5459 -7.10646 PRESSAVG: 4093400 9.26078 -36.4678 18.0866 -36.4678 -19.8046 3.70211 18.0866 3.70205 -23.3484 GPRESSAVG: 4093400 8.80002 -36.9835 18.3973 -38.2936 -18.4835 5.51472 16.1799 3.9408 -24.1479 TIMING: 4093400 CPU: 12939.2, 0.00318114/step Wall: 12939.2, 0.00318114/step, 0.801117 hours remaining, 238.355469 MB of memory in use. ENERGY: 4093400 3973.2698 20570.3083 14540.4051 236.9733 -203211.5899 2515.4073 0.0000 0.0000 52179.7098 -109195.5164 299.8775 -161375.2262 -108817.6055 299.8012 10.0042 37.1142 761419.4034 -11.2974 -11.2771 PRESSURE: 4093600 444.238 -54.1792 -34.5056 -54.1793 120.923 21.3315 -34.5054 21.3329 390.955 GPRESSURE: 4093600 415.777 -72.3548 -62.9125 -41.8711 160.934 42.8635 -28.3478 -7.02281 466.451 PRESSAVG: 4093600 35.7385 -16.4927 21.8019 -16.4927 -7.22332 -22.7379 21.8018 -22.7379 13.4893 GPRESSAVG: 4093600 35.9839 -18.3321 23.2763 -15.2482 -8.12681 -23.4198 24.5801 -24.1356 14.1843 TIMING: 4093600 CPU: 12939.9, 0.0031685/step Wall: 12939.9, 0.0031685/step, 0.797758 hours remaining, 238.355469 MB of memory in use. ENERGY: 4093600 3923.3899 20525.2426 14395.9192 246.9961 -203158.8194 2896.6827 0.0000 0.0000 52173.1343 -108997.4546 299.8397 -161170.5889 -108634.3586 300.1358 318.7051 347.7206 762396.2978 14.0015 14.0138 PRESSURE: 4093800 -71.5895 15.7164 176.673 15.7156 191.495 -96.5226 176.673 -96.5219 -357.67 GPRESSURE: 4093800 44.5702 -38.3704 244.703 61.0488 212.713 -86.2172 152.339 -19.1316 -421.158 PRESSAVG: 4093800 -1.16466 -55.1441 -36.287 -55.1441 -1.43607 -19.641 -36.2871 -19.6409 2.86078 GPRESSAVG: 4093800 -2.2581 -53.2198 -35.8291 -55.24 0.13417 -19.1556 -39.2061 -19.14 1.37356 TIMING: 4093800 CPU: 12940.5, 0.00317058/step Wall: 12940.5, 0.00317058/step, 0.798106 hours remaining, 238.355469 MB of memory in use. ENERGY: 4093800 4050.5574 20512.6940 14500.0712 241.1120 -203294.4076 2616.3833 0.0000 0.0000 52068.6283 -109304.9615 299.2391 -161373.5897 -108939.9250 299.5760 -79.2548 -54.6249 761687.6602 0.0867 -0.2501 PRESSURE: 4094000 -46.4022 24.337 -359.888 24.3362 -165.656 11.3873 -359.888 11.3885 100.005 GPRESSURE: 4094000 -11.3253 21.855 -304.181 -47.0817 -172.288 53.9654 -380.599 -42.8123 150.678 PRESSAVG: 4094000 -67.1373 -39.6172 -16.8002 -39.6172 28.1112 -35.4653 -16.8002 -35.4653 15.3897 GPRESSAVG: 4094000 -65.8347 -39.4138 -17.7435 -39.3324 26.1413 -35.1173 -15.3868 -35.6938 16.7295 TIMING: 4094000 CPU: 12941.1, 0.00317719/step Wall: 12941.1, 0.00317719/step, 0.799593 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: 4094000 3979.1589 20504.5188 14523.3348 237.6151 -202994.1637 2396.3265 0.0000 0.0000 51996.5424 -109356.6672 298.8248 -161353.2097 -108991.6124 299.6277 -37.3510 -10.9784 763012.5488 -7.8788 -7.6546 PRESSURE: 4094200 -164.189 170.561 332.059 170.561 -211.16 -29.7401 332.059 -29.7402 -196.276 GPRESSURE: 4094200 -178.32 148.757 243.488 50.1702 -199.136 -40.2208 201.375 -23.0965 -128.553 PRESSAVG: 4094200 -14.114 -2.85194 1.86056 -2.85199 4.02912 3.8423 1.86055 3.84232 -3.73107 GPRESSAVG: 4094200 -13.651 -3.7982 1.85895 -4.07068 4.14011 3.45846 2.39542 2.95975 -4.42486 TIMING: 4094200 CPU: 12941.8, 0.00318459/step Wall: 12941.8, 0.00318459/step, 0.801278 hours remaining, 238.355469 MB of memory in use. ENERGY: 4094200 4013.7607 20591.7508 14535.0831 224.3768 -203167.4503 2442.6971 0.0000 0.0000 52073.1735 -109286.6083 299.2652 -161359.7818 -108915.7154 299.5200 -190.5416 -168.6697 761464.2321 -4.6053 -4.6452 PRESSURE: 4094400 225.51 -239.614 10.182 -239.613 -269.676 69.7839 10.1826 69.7835 457.795 GPRESSURE: 4094400 251.71 -299.679 136.677 -153.927 -205.2 134.331 22.8329 -96.0025 448.818 PRESSAVG: 4094400 -41.1346 -18.4619 34.4315 -18.4619 21.036 -13.8153 34.4316 -13.8153 29.525 GPRESSAVG: 4094400 -41.4004 -18.3291 33.6663 -16.9499 21.0341 -14.4253 33.7981 -13.2718 30.6558 TIMING: 4094400 CPU: 12942.4, 0.00318738/step Wall: 12942.4, 0.00318738/step, 0.801803 hours remaining, 238.355469 MB of memory in use. ENERGY: 4094400 3972.4422 20549.6640 14524.8059 268.4943 -203330.9097 2670.9583 0.0000 0.0000 51946.2394 -109398.3056 298.5358 -161344.5450 -109029.4651 299.7572 137.8765 165.1093 761417.8581 3.1421 3.4298 PRESSURE: 4094600 132.902 62.4912 -166.164 62.4913 -71.2725 98.6351 -166.164 98.635 -196.927 GPRESSURE: 4094600 133.711 86.8707 -144.799 100.572 -57.5696 -5.40604 -46.4419 66.3354 -129.313 PRESSAVG: 4094600 49.8443 -46.8652 6.85817 -46.8652 15.987 28.2054 6.85814 28.2055 -13.4909 GPRESSAVG: 4094600 49.4621 -44.9811 8.15815 -47.8328 16.4106 28.8376 5.61189 27.854 -13.6979 TIMING: 4094600 CPU: 12943.1, 0.00319146/step Wall: 12943.1, 0.00319145/step, 0.802651 hours remaining, 238.355469 MB of memory in use. ENERGY: 4094600 3966.0284 20740.2545 14557.6993 235.5075 -203321.5977 2513.8986 0.0000 0.0000 51962.5326 -109345.6769 298.6294 -161308.2095 -108989.0450 299.9635 -45.0992 -17.7236 761448.7956 17.4468 17.3916 PRESSURE: 4094800 -59.2211 -224.799 162.768 -224.8 -115.399 -27.4072 162.768 -27.4072 -78.3896 GPRESSURE: 4094800 -34.9003 -214.541 141.892 -188.165 -28.1782 -61.1675 108.049 -93.1789 -105.138 PRESSAVG: 4094800 -45.2853 -21.2436 5.18592 -21.2436 6.00659 45.408 5.18591 45.408 2.49691 GPRESSAVG: 4094800 -45.9416 -23.2727 4.43979 -20.8812 6.63975 44.7336 8.05484 46.8571 3.23101 TIMING: 4094800 CPU: 12943.7, 0.00319364/step Wall: 12943.7, 0.00319365/step, 0.803024 hours remaining, 238.355469 MB of memory in use. ENERGY: 4094800 4065.0731 20578.2782 14509.4775 229.6661 -203700.0831 2810.9049 0.0000 0.0000 52190.6819 -109316.0013 299.9406 -161506.6832 -108949.2682 299.5460 -84.3364 -56.0722 761656.1185 -12.2606 -12.0236 PRESSURE: 4095000 -145.66 -32.177 150.187 -32.1777 -190.959 -145.023 150.186 -145.023 -55.3049 GPRESSURE: 4095000 -102.543 -130.181 77.6649 -41.4001 -146.49 -112.262 138.713 -89.9867 -77.561 PRESSAVG: 4095000 34.852 -11.6564 10.0959 -11.6564 28.8029 -6.91745 10.0959 -6.91742 12.7829 GPRESSAVG: 4095000 35.3498 -12.2464 11.1258 -10.9463 29.5862 -6.54935 9.58768 -6.96289 11.6972 TIMING: 4095000 CPU: 12944.3, 0.00318935/step Wall: 12944.3, 0.00318935/step, 0.801767 hours remaining, 238.355469 MB of memory in use. ENERGY: 4095000 4003.6319 20547.2773 14505.9682 249.8281 -203622.2979 2750.8544 0.0000 0.0000 52233.7665 -109330.9715 300.1882 -161564.7380 -108969.1930 299.4957 -130.6413 -108.8647 762070.6545 25.4793 25.5444 PRESSURE: 4095200 76.7831 -228.558 130.166 -228.558 222.518 35.539 130.165 35.5375 151.791 GPRESSURE: 4095200 -42.0008 -224.999 77.7451 -184.136 390.652 53.0715 91.5775 53.8588 184.177 PRESSAVG: 4095200 18.9863 -12.8968 2.62348 -12.8967 12.8393 9.98122 2.62351 9.98125 -22.4553 GPRESSAVG: 4095200 17.4152 -12.0441 1.06601 -13.9689 12.4307 9.26269 1.41539 11.2594 -21.5458 TIMING: 4095200 CPU: 12945, 0.0031701/step Wall: 12945, 0.0031701/step, 0.796751 hours remaining, 238.355469 MB of memory in use. ENERGY: 4095200 4037.9747 20548.1621 14471.3537 255.4667 -203896.9413 3004.1312 0.0000 0.0000 52387.0869 -109192.7660 301.0693 -161579.8530 -108830.0530 300.3217 150.3641 177.6093 762461.0846 3.1234 2.7667 PRESSURE: 4095400 -2.61195 -77.0912 22.6011 -77.0922 28.7707 -89.0778 22.6014 -89.0779 -203.938 GPRESSURE: 4095400 105.605 -103.418 76.5634 -77.8145 65.1734 -85.905 61.6799 -177.547 -256.604 PRESSAVG: 4095400 -33.9868 -28.5698 16.6274 -28.5698 -4.34058 54.9174 16.6274 54.9174 -10.9294 GPRESSAVG: 4095400 -32.2048 -28.65 17.6254 -29.4918 -4.2333 55.3577 18.5056 54.4716 -12.485 TIMING: 4095400 CPU: 12945.6, 0.00317427/step Wall: 12945.6, 0.00317427/step, 0.797624 hours remaining, 238.355469 MB of memory in use. ENERGY: 4095400 4021.8613 20698.0359 14462.2604 250.5904 -203902.8670 2947.6716 0.0000 0.0000 52142.6350 -109379.8124 299.6644 -161522.4474 -109034.0785 300.1892 -59.2598 -28.6085 761929.1005 -16.4189 -16.3077 PRESSURE: 4095600 -34.5123 -58.2603 71.7202 -58.2606 -322.686 98.0781 71.72 98.0782 -497.106 GPRESSURE: 4095600 19.0634 -25.5617 91.031 -51.5991 -294.832 145.353 -19.2194 160.286 -487.64 PRESSAVG: 4095600 10.0952 14.724 -18.2225 14.724 40.8854 -2.44002 -18.2224 -2.44004 -3.20471 GPRESSAVG: 4095600 10.4454 14.5778 -17.9214 16.0682 38.7748 -1.72837 -19.0982 -4.87989 -1.25183 TIMING: 4095600 CPU: 12946.2, 0.00318181/step Wall: 12946.2, 0.00318181/step, 0.799342 hours remaining, 238.355469 MB of memory in use. ENERGY: 4095600 4065.3178 20694.2340 14531.3791 230.8353 -202917.4407 2321.7701 0.0000 0.0000 51876.1043 -109197.8001 298.1327 -161073.9044 -108836.2658 299.9771 -284.7682 -254.4695 762455.9886 15.9253 15.9895 PRESSURE: 4095800 179.071 -161.291 99.2305 -161.291 -168.813 12.5766 99.2312 12.5779 730.655 GPRESSURE: 4095800 184.59 -99.656 109.969 -19.1368 -43.8358 66.3411 -17.6147 -14.2038 673.617 PRESSAVG: 4095800 8.89326 -48.888 5.34839 -48.888 7.41935 -32.1154 5.34843 -32.1155 20.3043 GPRESSAVG: 4095800 7.72847 -47.2168 5.3964 -48.727 8.95723 -32.3231 4.87877 -31.8833 19.5985 TIMING: 4095800 CPU: 12946.9, 0.00317736/step Wall: 12946.9, 0.00317736/step, 0.798047 hours remaining, 238.355469 MB of memory in use. ENERGY: 4095800 3959.4726 20593.8710 14532.5917 220.7517 -203924.1900 2899.5422 0.0000 0.0000 52466.7405 -109251.2204 301.5271 -161717.9609 -108881.3499 300.1265 246.9709 271.4569 760966.2413 12.2056 12.0947 PRESSURE: 4096000 25.8537 106.347 -293.997 106.347 356.956 -12.8669 -293.997 -12.8675 7.88676 GPRESSURE: 4096000 107.841 45.957 -261.862 97.6332 376.139 29.3968 -293.606 8.32586 -1.54358 PRESSAVG: 4096000 6.98034 -10.0835 84.2044 -10.0834 -24.2541 -28.8557 84.2044 -28.8558 19.0717 GPRESSAVG: 4096000 7.03226 -12.8202 85.6111 -9.81443 -24.2735 -28.6969 84.2668 -28.59 19.0204 TIMING: 4096000 CPU: 12947.5, 0.00316992/step Wall: 12947.5, 0.00316992/step, 0.796002 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: 4096000 3994.4434 20560.4964 14495.7511 236.9048 -203502.5647 2893.3428 0.0000 0.0000 52067.8407 -109253.7855 299.2346 -161321.6262 -108889.2116 299.4919 130.2322 160.8122 760698.2126 0.5993 0.5930 PRESSURE: 4096200 285.338 -33.9425 8.96444 -33.9423 207.117 77.2268 8.96487 77.2264 271.048 GPRESSURE: 4096200 367.431 -60.7586 -18.7731 -72.9736 184.299 -39.5906 8.62497 -49.0355 282.698 PRESSAVG: 4096200 54.0164 -59.0197 25.5703 -59.0196 -8.67997 4.73478 25.5704 4.7348 -10.6971 GPRESSAVG: 4096200 55.0471 -57.4438 26.3347 -59.681 -10.9091 4.29994 25.6666 5.07351 -10.5093 TIMING: 4096200 CPU: 12948.1, 0.00317983/step Wall: 12948.1, 0.00317983/step, 0.798313 hours remaining, 238.355469 MB of memory in use. ENERGY: 4096200 4008.7663 20547.1524 14526.0769 254.5526 -203838.0112 2979.0699 0.0000 0.0000 52462.1446 -109060.2485 301.5007 -161522.3931 -108691.0946 299.8769 254.5010 278.1426 760766.8026 11.5465 11.2096 LDB: ============= START OF LOAD BALANCING ============== 12960.7 LDB: ============== END OF LOAD BALANCING =============== 12960.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12960.7 LDB: ============= START OF LOAD BALANCING ============== 12961 LDB: Largest compute 7067 load 0.034889 is 17.8% of average load 0.195698 LDB: Average compute 0.004396 is 2.2% of average load 0.195698 LDB: TIME 12961 LOAD: AVG 0.195698 MAX 0.217685 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 12961 LOAD: AVG 0.195698 MAX 0.217685 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 12961 LOAD: AVG 0.195698 MAX 0.217685 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 12961 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12961 PRESSURE: 4096400 72.5913 79.8474 -112.841 79.8465 -49.1659 -26.7676 -112.842 -26.7685 405.847 GPRESSURE: 4096400 38.6699 48.926 -149.457 100.172 166.331 -84.7553 -111.97 119.457 302.88 PRESSAVG: 4096400 -27.5603 -6.85706 -21.1212 -6.85704 30.0849 0.837826 -21.1212 0.837918 6.59637 GPRESSAVG: 4096400 -28.1344 -7.86619 -23.0361 -7.6863 31.9352 -0.222634 -21.5441 -0.203982 5.2345 TIMING: 4096400 CPU: 12948.8, 0.00324325/step Wall: 12948.8, 0.00324325/step, 0.814055 hours remaining, 235.652344 MB of memory in use. ENERGY: 4096400 3991.2625 20767.2021 14544.9610 250.9889 -203296.2539 2584.6404 0.0000 0.0000 52124.9762 -109032.2228 299.5630 -161157.1990 -108669.4597 300.1432 143.0907 169.2938 760529.2863 3.0403 3.0118 PRESSURE: 4096600 -200.835 -75.5911 65.1292 -75.5905 210.859 166.579 65.1294 166.577 -86.8575 GPRESSURE: 4096600 -187.659 -184.18 -17.3028 7.72577 292.447 87.5533 177.06 68.3135 -93.4989 PRESSAVG: 4096600 -67.1832 -43.9035 3.33348 -43.9036 129.743 21.0764 3.33351 21.0763 4.46929 GPRESSAVG: 4096600 -67.2779 -41.8826 3.13394 -42.5966 129.563 23.2424 4.66917 22.5635 4.60627 TIMING: 4096600 CPU: 12949.4, 0.00317639/step Wall: 12949.4, 0.00317639/step, 0.797097 hours remaining, 235.652344 MB of memory in use. ENERGY: 4096600 4030.3688 20646.2415 14534.8562 244.7524 -203835.5988 2860.7147 0.0000 0.0000 52514.3127 -109004.3525 301.8005 -161518.6652 -108641.1049 300.3766 -25.6114 3.7630 759848.7961 22.3431 22.2971 PRESSURE: 4096800 -197.983 -70.628 -316.346 -70.6273 73.6517 -189.594 -316.346 -189.594 -148.362 GPRESSURE: 4096800 -173.213 16.8157 -306.426 -47.0176 179.911 -108.184 -314.081 -114.306 -172.954 PRESSAVG: 4096800 -16.3499 -22.5225 40.726 -22.5225 19.2136 0.327738 40.726 0.327646 -9.95893 GPRESSAVG: 4096800 -17.6076 -23.0761 41.5823 -22.7025 18.8127 -0.944873 40.9574 0.624372 -8.28987 TIMING: 4096800 CPU: 12950.1, 0.00319354/step Wall: 12950.1, 0.00319354/step, 0.801224 hours remaining, 235.652344 MB of memory in use. ENERGY: 4096800 4076.8961 20661.8698 14501.8008 248.3222 -203608.3788 2672.1152 0.0000 0.0000 52200.8142 -109246.5605 299.9988 -161447.3747 -108887.4854 299.9893 -90.8979 -55.4184 760830.4922 -2.3651 -2.3616 PRESSURE: 4097000 -40.1788 -5.55541 197.449 -5.55493 86.6978 132.04 197.449 132.04 -148.673 GPRESSURE: 4097000 -70.3494 91.3072 176.51 -50.1743 119.873 99.2753 160.453 141.935 -64.9824 PRESSAVG: 4097000 32.4372 -22.6589 -29.5811 -22.6589 4.95849 17.9959 -29.581 17.996 17.0057 GPRESSAVG: 4097000 33.2418 -22.5025 -30.8146 -23.6204 4.38317 19.6772 -30.7133 15.1137 17.009 TIMING: 4097000 CPU: 12950.7, 0.00317426/step Wall: 12950.7, 0.00317426/step, 0.79621 hours remaining, 235.652344 MB of memory in use. ENERGY: 4097000 4006.8050 20650.5774 14557.5813 233.6407 -203019.9820 2275.3770 0.0000 0.0000 52112.8357 -109183.1648 299.4932 -161296.0005 -108820.0148 299.9505 -34.0512 -5.1530 761949.9672 18.1338 18.2113 PRESSURE: 4097200 -90.639 42.2962 -154.059 42.2973 -311.024 31.0061 -154.06 31.0059 -339.317 GPRESSURE: 4097200 -86.9022 29.76 -160.553 -25.8966 -211.372 -41.7435 -158.501 65.6808 -345.657 PRESSAVG: 4097200 9.91193 -35.3541 -31.1964 -35.3542 -11.5632 -21.6395 -31.1965 -21.6394 -0.905824 GPRESSAVG: 4097200 10.8559 -35.8194 -29.8215 -34.5591 -11.7331 -21.292 -32.5483 -21.6446 -1.62042 TIMING: 4097200 CPU: 12951.3, 0.00317939/step Wall: 12951.3, 0.00317939/step, 0.797321 hours remaining, 235.652344 MB of memory in use. ENERGY: 4097200 3983.0877 20515.1443 14543.2481 256.5757 -202991.8844 2430.7729 0.0000 0.0000 52167.8088 -109095.2469 299.8091 -161263.0557 -108727.1025 299.9719 -246.9933 -214.6436 760654.6024 -0.8524 -0.8325 PRESSURE: 4097400 39.0128 -137.764 25.5446 -137.763 -291.931 -212.645 25.5437 -212.645 -40.4287 GPRESSURE: 4097400 -1.48762 -155.135 84.0044 -119.817 -231.902 -233.971 -59.9361 -309.578 32.2719 PRESSAVG: 4097400 -72.9219 -47.2602 -8.67658 -47.2602 50.4975 6.30268 -8.67662 6.30275 8.9233 GPRESSAVG: 4097400 -72.983 -46.9562 -8.43088 -47.0214 51.2654 5.02219 -7.60121 8.61652 8.24308 TIMING: 4097400 CPU: 12952, 0.00316246/step Wall: 12952, 0.00316246/step, 0.792898 hours remaining, 235.652344 MB of memory in use. ENERGY: 4097400 4005.6931 20564.0927 14502.0861 237.1187 -203073.3596 2551.3796 0.0000 0.0000 52064.7893 -109148.2001 299.2171 -161212.9894 -108793.5596 299.5461 -97.7821 -67.0394 761592.8730 -4.5004 -4.4915 PRESSURE: 4097600 148.244 72.0744 -101.301 72.0738 53.3578 -18.2606 -101.301 -18.2587 200.991 GPRESSURE: 4097600 174.023 22.6361 -122.715 56.1035 24.9927 81.8171 -41.3061 -38.9996 284.656 PRESSAVG: 4097600 -19.6642 -19.8215 -10.8236 -19.8216 13.2446 -9.24346 -10.8236 -9.24339 2.63182 GPRESSAVG: 4097600 -19.6928 -19.6186 -14.4912 -20.9641 13.1124 -9.77937 -9.78829 -10.9058 2.75857 TIMING: 4097600 CPU: 12952.6, 0.0031776/step Wall: 12952.6, 0.0031776/step, 0.796519 hours remaining, 235.652344 MB of memory in use. ENERGY: 4097600 3981.2121 20552.5733 14520.7170 246.4906 -203280.6500 2825.6083 0.0000 0.0000 51864.2891 -109289.7596 298.0648 -161154.0487 -108930.1029 299.3611 134.1976 161.2238 763959.9856 -1.2626 -1.2739 PRESSURE: 4097800 -53.0623 88.9449 -63.9544 88.9446 -333.148 208.236 -63.9557 208.236 -142.689 GPRESSURE: 4097800 -33.362 153.727 -193.064 159.899 -306.962 251.434 7.08075 180.22 -130.58 PRESSAVG: 4097800 47.2375 -34.3936 -26.7774 -34.3937 -33.67 -35.321 -26.7773 -35.321 -0.631303 GPRESSAVG: 4097800 46.5276 -34.773 -24.291 -33.9689 -33.2711 -34.8778 -28.1658 -34.4664 -0.299779 TIMING: 4097800 CPU: 12953.2, 0.00316546/step Wall: 12953.2, 0.00316546/step, 0.7933 hours remaining, 235.652344 MB of memory in use. ENERGY: 4097800 3922.3514 20560.4508 14594.0426 250.5113 -202901.6013 2267.8720 0.0000 0.0000 51903.1672 -109403.2060 298.2882 -161306.3732 -109030.8236 299.0723 -176.2998 -156.9679 762516.8178 4.3121 4.3189 PRESSURE: 4098000 -8.44449 304.38 94.4106 304.38 405.949 -49.2159 94.4116 -49.2162 58.608 GPRESSURE: 4098000 45.4139 307.755 74.6689 310.356 378.806 46.9154 75.4938 -6.11618 145.275 PRESSAVG: 4098000 -62.5303 13.0215 -27.5891 13.0215 48.7372 -11.4656 -27.589 -11.4656 19.5722 GPRESSAVG: 4098000 -60.7702 11.6581 -28.1942 13.784 47.2467 -11.9694 -28.5662 -10.8937 19.5321 TIMING: 4098000 CPU: 12953.9, 0.00318367/step Wall: 12953.9, 0.00318367/step, 0.797686 hours remaining, 235.652344 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: 4098000 3913.9243 20519.2585 14569.0000 254.3445 -203583.7697 2790.9905 0.0000 0.0000 52086.6198 -109449.6321 299.3425 -161536.2519 -109085.3644 298.9085 152.0376 189.8316 760946.8509 1.9264 2.0029 PRESSURE: 4098200 -201.073 157.723 -75.4025 157.723 38.798 -149.545 -75.4021 -149.546 -34.5169 GPRESSURE: 4098200 -106.207 15.7113 -11.6059 103.748 34.991 -133.17 -97.8487 -79.5463 -35.5267 PRESSAVG: 4098200 -18.0312 2.7519 41.8964 2.75189 73.8314 19.2931 41.8964 19.2931 15.1762 GPRESSAVG: 4098200 -18.7939 3.57662 42.7859 2.70587 74.5946 20.5467 44.1339 19.0078 15.3584 TIMING: 4098200 CPU: 12954.5, 0.0031888/step Wall: 12954.5, 0.0031888/step, 0.798794 hours remaining, 235.652344 MB of memory in use. ENERGY: 4098200 3955.5215 20469.3744 14476.7489 255.3989 -202990.2294 2174.8414 0.0000 0.0000 52126.8732 -109531.4711 299.5739 -161658.3443 -109163.3404 299.4170 -65.5973 -35.5808 760556.4340 23.6588 23.7197 PRESSURE: 4098400 136.795 122.861 -215.1 122.861 196.542 -81.2992 -215.099 -81.2985 -106.595 GPRESSURE: 4098400 183.566 40.3326 -243.968 42.7408 187.543 -144.838 -281.563 -20.7267 -83.9251 PRESSAVG: 4098400 27.8816 -4.75738 0.0449673 -4.75737 -10.8336 27.3932 0.0450098 27.3931 1.28887 GPRESSAVG: 4098400 28.3193 -5.88805 -1.29477 -7.10769 -11.2833 26.4894 -1.84724 29.3194 0.966748 TIMING: 4098400 CPU: 12955.2, 0.00319416/step Wall: 12955.2, 0.00319416/step, 0.79996 hours remaining, 235.652344 MB of memory in use. ENERGY: 4098400 3914.9026 20628.2265 14465.1901 237.8192 -203567.8360 2782.7187 0.0000 0.0000 52012.1169 -109526.8621 298.9144 -161538.9790 -109155.6176 298.9586 75.5806 95.7279 760126.9383 6.1123 6.0009 PRESSURE: 4098600 -390.684 5.35504 15.1371 5.35413 -133.732 91.646 15.1369 91.6455 -220.394 GPRESSURE: 4098600 -301.915 53.4859 67.7386 -93.6651 -163.5 51.1043 51.2377 119.454 -193.292 PRESSAVG: 4098600 12.8731 -75.4023 -5.69091 -75.4023 -6.67258 8.09888 -5.69086 8.09887 13.8538 GPRESSAVG: 4098600 12.8494 -74.4905 -4.92602 -74.9254 -6.27876 6.12916 -4.96159 7.44453 13.962 TIMING: 4098600 CPU: 12955.8, 0.00318586/step Wall: 12955.8, 0.00318586/step, 0.797703 hours remaining, 235.652344 MB of memory in use. ENERGY: 4098600 3928.3911 20370.5158 14410.5019 268.3741 -202903.7212 2349.5072 0.0000 0.0000 52077.1668 -109499.2643 299.2882 -161576.4311 -109127.2323 299.4165 -248.2699 -219.5692 761639.2489 6.6848 6.8442 PRESSURE: 4098800 -21.0612 -49.3171 76.5868 -49.3178 291.278 158.659 76.5867 158.66 97.4106 GPRESSURE: 4098800 8.04807 -36.9347 126.271 -42.029 278.877 43.0906 -18.7825 170.766 149.522 PRESSAVG: 4098800 -24.3109 -8.32352 -4.96835 -8.32356 11.3209 -6.79844 -4.96831 -6.79848 9.01681 GPRESSAVG: 4098800 -24.0373 -8.29115 -4.64674 -7.59772 10.8742 -4.70485 -4.6218 -8.12458 9.30021 TIMING: 4098800 CPU: 12956.4, 0.00317867/step Wall: 12956.4, 0.00317867/step, 0.795728 hours remaining, 235.652344 MB of memory in use. ENERGY: 4098800 3988.9680 20585.1509 14464.0232 255.0222 -203553.6312 2787.8270 0.0000 0.0000 52032.8866 -109439.7533 299.0337 -161472.6399 -109093.9925 299.5022 122.5423 145.4826 761927.6979 -1.3244 -1.2876 PRESSURE: 4099000 -200.476 -29.0082 -38.7218 -29.0088 -130.355 287.421 -38.7223 287.42 -186.297 GPRESSURE: 4099000 -128.546 -37.672 -10.9112 -42.926 -130.606 275.429 52.8191 263.239 -182.823 PRESSAVG: 4099000 13.9686 -30.152 1.8973 -30.1519 -32.331 -15.3604 1.89725 -15.3604 13.3909 GPRESSAVG: 4099000 14.0987 -31.1712 1.6515 -31.1948 -32.9792 -14.626 4.58898 -16.6539 14.0962 TIMING: 4099000 CPU: 12957.1, 0.00317632/step Wall: 12957.1, 0.00317632/step, 0.794962 hours remaining, 235.652344 MB of memory in use. ENERGY: 4099000 3890.5110 20448.6814 14467.1586 247.4879 -202860.1935 2333.5346 0.0000 0.0000 52117.6580 -109355.1622 299.5209 -161472.8202 -108990.9213 299.8036 -172.3762 -147.3248 761832.4516 -1.6572 -1.5948 PRESSURE: 4099200 -256.66 -281.507 50.9574 -281.507 -271.466 56.4314 50.9577 56.4312 -347.477 GPRESSURE: 4099200 -244.592 -276.567 133.902 -313.824 -140.999 108.682 27.4471 119.843 -419.406 PRESSAVG: 4099200 22.6915 -47.0708 12.6501 -47.0709 -23.0112 -6.0108 12.6501 -6.01077 5.67142 GPRESSAVG: 4099200 22.372 -46.4886 13.4726 -44.953 -22.374 -8.10402 9.99573 -4.90369 4.98302 TIMING: 4099200 CPU: 12957.7, 0.00315502/step Wall: 12957.7, 0.00315502/step, 0.789457 hours remaining, 235.652344 MB of memory in use. ENERGY: 4099200 3972.8454 20480.9542 14461.2216 249.1057 -202799.7148 2290.7942 0.0000 0.0000 52092.6428 -109252.1510 299.3771 -161344.7938 -108882.3437 299.7754 -291.8677 -268.3324 762574.5969 1.7839 1.6603 PRESSURE: 4099400 -191.858 -175.731 -34.5932 -175.731 175.236 -104.059 -34.5927 -104.06 -181.852 GPRESSURE: 4099400 -65.928 -200.199 8.11108 -17.8418 125.957 -131.017 9.01234 -168.679 -190.56 PRESSAVG: 4099400 -21.8768 -56.3874 26.5163 -56.3875 29.5965 20.5988 26.5163 20.5988 -11.2234 GPRESSAVG: 4099400 -21.4428 -56.1296 25.9987 -57.4473 28.4612 21.0966 26.9264 23.0679 -9.80747 TIMING: 4099400 CPU: 12958.3, 0.00316163/step Wall: 12958.3, 0.00316163/step, 0.790936 hours remaining, 235.652344 MB of memory in use. ENERGY: 4099400 3975.0375 20386.4933 14482.9620 240.5790 -202640.4821 2025.9406 0.0000 0.0000 52030.7843 -109498.6854 299.0216 -161529.4696 -109133.7556 299.1528 -66.1584 -43.5105 760354.1921 -1.1679 -0.9297 PRESSURE: 4099600 33.0887 19.6853 66.8047 19.6848 -129.394 22.324 66.8032 22.3233 103.208 GPRESSURE: 4099600 30.6691 141.083 38.5015 -51.4794 -22.0743 -47.9265 -49.0996 -76.9923 59.2051 PRESSAVG: 4099600 -12.893 -6.26668 2.75059 -6.26674 26.1488 29.6812 2.75059 29.6812 4.05892 GPRESSAVG: 4099600 -12.9302 -7.51862 2.78569 -4.21111 27.4734 29.4329 3.08272 27.5818 2.66397 TIMING: 4099600 CPU: 12959, 0.0031712/step Wall: 12959, 0.00317121/step, 0.793154 hours remaining, 235.652344 MB of memory in use. ENERGY: 4099600 4003.7756 20678.2708 14451.1476 230.1314 -202782.8121 2236.0162 0.0000 0.0000 51945.9000 -109237.5705 298.5338 -161183.4705 -108877.9363 299.1106 2.3008 22.6000 761958.5712 5.7716 5.7357 PRESSURE: 4099800 -500.416 -164.66 159.791 -164.661 -44.2014 -40.3908 159.792 -40.3897 157.401 GPRESSURE: 4099800 -450.914 -81.9739 65.5301 -83.4701 -15.3948 27.9696 226.198 -85.6586 179.186 PRESSAVG: 4099800 -39.2247 -28.5147 -14.6196 -28.5148 46.7195 53.0397 -14.6196 53.0397 -15.4116 GPRESSAVG: 4099800 -39.7627 -27.0386 -15.5463 -30.4468 47.7538 54.1456 -17.5328 55.237 -15.2677 TIMING: 4099800 CPU: 12959.6, 0.00319373/step Wall: 12959.6, 0.00319373/step, 0.79861 hours remaining, 235.652344 MB of memory in use. ENERGY: 4099800 3987.8744 20552.4869 14483.2933 238.4679 -203233.1001 2595.3751 0.0000 0.0000 52040.3772 -109335.2253 299.0768 -161375.6025 -108972.7354 299.2337 -129.0723 -95.7076 761430.1026 -2.6389 -2.4255 PRESSURE: 4100000 -211.086 1.22895 173.081 1.22884 -172.025 203.617 173.08 203.615 54.6337 GPRESSURE: 4100000 -166.348 16.7463 201.823 72.4612 -30.1473 180.736 141.684 89.2844 -31.3446 PRESSAVG: 4100000 -57.5607 -73.1365 -3.33848 -73.1366 24.2279 4.67247 -3.33846 4.67248 9.88953 GPRESSAVG: 4100000 -55.9753 -77.1017 -2.23741 -71.8326 24.0224 2.66155 0.293741 4.75084 9.19731 TIMING: 4100000 CPU: 12960.2, 0.00319541/step Wall: 12960.2, 0.00319541/step, 0.798853 hours remaining, 235.652344 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: 4100000 3938.7098 20369.9391 14419.2782 246.1122 -202973.5519 2426.2167 0.0000 0.0000 51913.9442 -109659.3517 298.3502 -161573.2959 -109288.7585 299.0880 -109.4923 -75.9468 761838.1552 -7.8144 -7.5852 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.1.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 -131.935 -206.075 -29.2779 -206.075 -272.8 77.5281 -29.2777 77.5276 -159.292 GPRESSURE: 4100200 -106.349 -191.61 -43.563 -168.35 -256.904 48.9241 43.0953 169.151 -131.634 PRESSAVG: 4100200 35.7736 -75.5384 -14.8698 -75.5384 -9.32195 1.89301 -14.8698 1.89299 -3.74804 GPRESSAVG: 4100200 35.2993 -72.2748 -13.6177 -74.7412 -9.97684 3.27153 -18.5142 1.60814 -2.86193 TIMING: 4100200 CPU: 12961, 0.00395185/step Wall: 12961, 0.00395185/step, 0.987743 hours remaining, 235.652344 MB of memory in use. ENERGY: 4100200 3983.5269 20598.5038 14497.9298 234.1489 -203153.7159 2272.1655 0.0000 0.0000 52008.7971 -109558.6439 298.8953 -161567.4410 -109205.7398 298.6717 -188.0090 -164.9625 761459.8401 7.5679 7.4868 LDB: ============= START OF LOAD BALANCING ============== 12973.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12973.6 LDB: =============== DONE WITH MIGRATION ================ 12973.6 LDB: ============= START OF LOAD BALANCING ============== 12973.9 LDB: Largest compute 7066 load 0.034290 is 17.5% of average load 0.195654 LDB: Average compute 0.004387 is 2.2% of average load 0.195654 LDB: TIME 12973.9 LOAD: AVG 0.195654 MAX 0.216003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 12973.9 LOAD: AVG 0.195654 MAX 0.216003 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 12973.9 LOAD: AVG 0.195654 MAX 0.216003 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 12973.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12973.9 PRESSURE: 4100400 84.4336 -279.987 193.011 -279.986 18.3612 7.83708 193.011 7.83687 110.844 GPRESSURE: 4100400 99.7303 -132.817 144.235 -356.354 69.7314 68.4568 170.038 -37.0456 122.877 PRESSAVG: 4100400 18.7615 -38.0144 3.12054 -38.0144 -23.5107 -28.1682 3.12052 -28.1682 21.3127 GPRESSAVG: 4100400 17.3905 -38.0357 1.35129 -37.3384 -21.4565 -30.3122 5.47437 -30.3945 21.0516 TIMING: 4100400 CPU: 12961.7, 0.00324221/step Wall: 12961.7, 0.00324221/step, 0.810193 hours remaining, 235.960938 MB of memory in use. ENERGY: 4100400 4000.6492 20475.8761 14456.8434 223.9351 -203760.4640 3002.0392 0.0000 0.0000 52137.9175 -109463.2035 299.6373 -161601.1210 -109116.0062 298.8494 71.2130 97.4461 760779.7426 5.5212 5.6619 PRESSURE: 4100600 -82.777 -141.516 127.447 -141.516 239.967 -39.4285 127.447 -39.4285 124.848 GPRESSURE: 4100600 4.53684 -94.0086 116.06 18.3053 238.733 -43.5722 156.016 -130.53 94.8779 PRESSAVG: 4100600 38.5024 -59.5742 -12.4132 -59.5742 0.718482 -22.0833 -12.4132 -22.0833 -18.1764 GPRESSAVG: 4100600 40.9276 -62.1153 -10.7701 -59.4936 -2.20905 -19.4151 -13.7815 -21.1037 -17.4737 TIMING: 4100600 CPU: 12962.3, 0.00316135/step Wall: 12962.3, 0.00316135/step, 0.78981 hours remaining, 235.960938 MB of memory in use. ENERGY: 4100600 4020.5301 20433.6678 14481.5329 269.5688 -202926.9963 2518.1449 0.0000 0.0000 51874.7996 -109328.7523 298.1252 -161203.5519 -108961.9971 299.0852 94.0127 112.7159 758765.6334 7.0148 7.0816 PRESSURE: 4100800 100.212 135.941 -122.735 135.941 -94.3659 126.303 -122.735 126.303 96.3734 GPRESSURE: 4100800 123.606 128.974 -127.08 81.2252 -61.0499 116.095 -114.915 -75.2362 136.863 PRESSAVG: 4100800 -25.4834 -11.3838 -10.2602 -11.3838 37.1878 -25.0363 -10.2601 -25.0363 22.1862 GPRESSAVG: 4100800 -25.8482 -10.8722 -10.957 -13.6291 38.148 -26.4511 -9.44096 -25.9192 21.1965 TIMING: 4100800 CPU: 12962.9, 0.00316312/step Wall: 12962.9, 0.00316312/step, 0.790078 hours remaining, 235.960938 MB of memory in use. ENERGY: 4100800 3895.9950 20474.6671 14517.5607 239.5341 -202953.2388 2431.0019 0.0000 0.0000 52170.6542 -109223.8258 299.8255 -161394.4800 -108858.7242 299.1555 34.0732 66.4731 761603.1690 11.2969 11.1654 PRESSURE: 4101000 -254.554 41.359 -11.9706 41.3589 -196.346 183.655 -11.9706 183.656 231.127 GPRESSURE: 4101000 -217.44 2.3231 -48.285 100.339 -102.822 64.1465 -44.0602 101.998 185.036 PRESSAVG: 4101000 -84.9366 -9.50364 -39.1133 -9.50367 42.2272 -15.3183 -39.1132 -15.3182 -9.37482 GPRESSAVG: 4101000 -85.548 -7.46314 -39.5239 -8.69051 42.4658 -15.6636 -39.9291 -15.8491 -8.80213 TIMING: 4101000 CPU: 12963.6, 0.00313969/step Wall: 12963.6, 0.00313969/step, 0.78405 hours remaining, 235.960938 MB of memory in use. ENERGY: 4101000 3953.0403 20484.5279 14494.4808 260.1163 -203127.0717 2703.6818 0.0000 0.0000 51957.0398 -109274.1847 298.5978 -161231.2245 -108903.6269 299.1330 -73.2578 -45.0751 762963.0356 -17.3614 -17.2948 PRESSURE: 4101200 -55.509 -122.023 112.235 -122.023 9.54846 -162.581 112.235 -162.581 31.9268 GPRESSURE: 4101200 -57.272 -152.04 96.4178 14.1223 22.5068 -154.299 218.653 -130.983 86.968 PRESSAVG: 4101200 -8.7748 -29.3619 22.527 -29.3619 38.518 1.40059 22.527 1.40057 -6.27804 GPRESSAVG: 4101200 -9.7009 -30.4947 21.3888 -28.1728 38.2837 4.45306 22.479 0.558976 -4.94111 TIMING: 4101200 CPU: 12964.2, 0.00316091/step Wall: 12964.2, 0.00316091/step, 0.789174 hours remaining, 235.960938 MB of memory in use. ENERGY: 4101200 3984.1635 20571.9172 14483.5441 221.9600 -203082.7013 2517.4307 0.0000 0.0000 51943.7288 -109359.9569 298.5213 -161303.6858 -109001.6970 298.9060 -4.6779 17.4009 762344.0555 7.8217 7.8806 PRESSURE: 4101400 -5.73858 120.513 -181.136 120.513 -46.2369 288.784 -181.136 288.785 -155.335 GPRESSURE: 4101400 48.7466 177.545 -136.034 16.562 56.9075 299.11 -109.869 142.69 -227.491 PRESSAVG: 4101400 -49.7369 62.3513 39.4644 62.3513 22.7562 31.854 39.4644 31.854 -12.4711 GPRESSAVG: 4101400 -49.0882 60.7911 42.2127 61.2034 23.6848 29.7576 38.8418 32.6156 -14.3953 TIMING: 4101400 CPU: 12964.8, 0.00315638/step Wall: 12964.8, 0.00315638/step, 0.787866 hours remaining, 235.960938 MB of memory in use. ENERGY: 4101400 3899.5369 20461.7405 14506.7750 238.2679 -202854.5620 2236.0144 0.0000 0.0000 52113.6035 -109398.6238 299.4976 -161512.2273 -109031.3798 299.2664 -69.1036 -40.6124 761573.6841 -13.1506 -13.2662 PRESSURE: 4101600 -156.811 106.688 54.2336 106.688 377.046 -107.04 54.2336 -107.039 181.087 GPRESSURE: 4101600 -163.592 69.8244 12.2284 74.1249 337.359 -125.133 77.9091 -103.452 275.576 PRESSAVG: 4101600 -34.4084 8.11583 -16.226 8.11586 4.09785 61.0286 -16.226 61.0285 5.36528 GPRESSAVG: 4101600 -34.5864 9.99071 -17.7392 8.26074 4.23049 61.9784 -13.6842 60.5141 5.41346 TIMING: 4101600 CPU: 12965.5, 0.00315771/step Wall: 12965.5, 0.00315771/step, 0.788025 hours remaining, 235.960938 MB of memory in use. ENERGY: 4101600 3888.8770 20539.9320 14568.9386 252.6975 -203178.5819 2582.4512 0.0000 0.0000 51960.5630 -109385.1226 298.6181 -161345.6856 -109026.1979 298.9729 133.7741 149.7807 760949.0184 -8.3151 -8.3142 PRESSURE: 4101800 80.0628 -253.163 -21.946 -253.162 -332.105 -231.915 -21.9462 -231.915 223.036 GPRESSURE: 4101800 171.485 -125.372 -104.292 -366.102 -314.968 -239.749 18.8808 -230.033 197.646 PRESSAVG: 4101800 -11.3132 -70.7959 -22.3413 -70.796 48.8496 -54.2456 -22.3412 -54.2456 -10.48 GPRESSAVG: 4101800 -10.2983 -70.6607 -23.1486 -69.4711 47.6452 -55.4396 -22.0269 -54.0812 -10.5736 TIMING: 4101800 CPU: 12966.1, 0.00318003/step Wall: 12966.1, 0.00318003/step, 0.793418 hours remaining, 235.960938 MB of memory in use. ENERGY: 4101800 3985.8623 20349.6024 14567.9442 228.1223 -203056.6496 2511.3593 0.0000 0.0000 52080.7721 -109332.9870 299.3089 -161413.7591 -108975.0320 298.9483 -9.6688 18.0541 763849.9079 9.0188 8.9244 PRESSURE: 4102000 -7.6089 -47.3957 20.4607 -47.3944 -270.202 23.8584 20.4609 23.8587 -120.691 GPRESSURE: 4102000 41.5685 8.29341 -38.4849 -80.2495 -247.64 8.39216 155.372 164.25 -76.75 PRESSAVG: 4102000 4.53474 30.4401 2.16868 30.4401 -30.6071 -37.0043 2.16862 -37.0043 0.550953 GPRESSAVG: 4102000 3.2308 31.6582 1.7406 28.6673 -29.4233 -36.838 2.68088 -35.2185 0.510737 TIMING: 4102000 CPU: 12966.7, 0.00315979/step Wall: 12966.7, 0.00315979/step, 0.788193 hours remaining, 235.960938 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: 4102000 4018.6381 20392.9262 14521.8601 253.5311 -203206.8252 2588.7508 0.0000 0.0000 52089.4179 -109341.7011 299.3586 -161431.1189 -108978.3747 299.0273 -132.8340 -94.2738 761366.1328 -8.5071 -8.5606 PRESSURE: 4102200 340.27 -7.4453 -285.127 -7.44552 160.714 253.534 -285.127 253.534 -79.2232 GPRESSURE: 4102200 385.189 84.7643 -366.446 8.93811 181.547 250.478 -189.435 245.231 -75.0768 PRESSAVG: 4102200 25.1273 43.7787 -13.3027 43.7787 0.55009 9.0823 -13.3027 9.08225 -0.506774 GPRESSAVG: 4102200 26.3599 40.5958 -13.4583 43.1538 0.0440082 8.55346 -14.7111 7.84547 -0.965745 TIMING: 4102200 CPU: 12967.4, 0.00320036/step Wall: 12967.4, 0.00320036/step, 0.798134 hours remaining, 235.960938 MB of memory in use. ENERGY: 4102200 4022.8400 20469.0394 14504.3408 251.4724 -203705.1803 2992.7431 0.0000 0.0000 52066.1227 -109398.6220 299.2247 -161464.7447 -109034.4012 299.4459 140.5869 163.8866 761176.0203 8.3902 8.4794 PRESSURE: 4102400 260.11 84.1244 -7.26153 84.1245 -273.102 -45.0837 -7.26072 -45.0833 260.418 GPRESSURE: 4102400 284.12 126.541 45.5589 18.359 -186.842 2.97327 -66.7279 -89.9684 249.494 PRESSAVG: 4102400 5.59739 -31.0706 -29.4563 -31.0706 9.26469 29.3228 -29.4563 29.3227 21.8118 GPRESSAVG: 4102400 5.23579 -28.6875 -29.1567 -29.6977 8.78025 29.7185 -30.2962 31.9138 22.4736 TIMING: 4102400 CPU: 12968, 0.00317997/step Wall: 12968, 0.00317997/step, 0.792873 hours remaining, 235.960938 MB of memory in use. ENERGY: 4102400 3940.0102 20323.8941 14491.3928 232.8873 -203422.3554 2651.0691 0.0000 0.0000 52208.0970 -109575.0049 300.0407 -161783.1019 -109215.3015 299.0506 82.4755 115.5906 760791.2768 12.2246 12.1632 PRESSURE: 4102600 -292.771 170.234 263.601 170.235 -103.597 -220.66 263.6 -220.662 -152.798 GPRESSURE: 4102600 -287.552 46.7342 356.419 190.509 -10.0725 -251.679 216.157 -250.911 -181.848 PRESSAVG: 4102600 14.0021 -33.6777 -24.1094 -33.6777 -35.8239 -13.2509 -24.1094 -13.2509 -8.27619 GPRESSAVG: 4102600 12.9855 -35.103 -23.1554 -33.6243 -34.9305 -11.9358 -22.0396 -15.9318 -8.69204 TIMING: 4102600 CPU: 12968.6, 0.00317314/step Wall: 12968.6, 0.00317314/step, 0.790994 hours remaining, 235.960938 MB of memory in use. ENERGY: 4102600 4001.5913 20475.2832 14541.1722 256.5871 -202987.9109 2097.2744 0.0000 0.0000 51993.9229 -109622.0798 298.8098 -161616.0027 -109274.9116 298.7347 -183.0554 -159.8243 759981.0846 -10.0327 -10.2123 PRESSURE: 4102800 12.3729 -234.793 -164.99 -234.792 186.518 216.894 -164.989 216.893 -255.32 GPRESSURE: 4102800 45.4756 -245.186 -145.73 -317.25 121.639 162.005 -169.377 206.225 -165.603 PRESSAVG: 4102800 -29.3199 -28.06 3.06268 -28.0601 47.102 17.3055 3.06269 17.3055 -9.62545 GPRESSAVG: 4102800 -29.117 -29.9203 2.41027 -30.2209 46.1722 16.885 1.98516 19.0477 -8.87973 TIMING: 4102800 CPU: 12969.3, 0.00319117/step Wall: 12969.3, 0.00319117/step, 0.79531 hours remaining, 235.960938 MB of memory in use. ENERGY: 4102800 3953.0477 20546.0255 14466.5591 259.9265 -203512.3180 2794.3648 0.0000 0.0000 52002.3337 -109490.0608 298.8581 -161492.3944 -109126.0362 299.0653 -18.8097 0.5041 761876.2801 2.7189 2.7252 PRESSURE: 4103000 -205.975 -6.11612 123.612 -6.11632 -220.239 -203.366 123.612 -203.365 -188.48 GPRESSURE: 4103000 -117.679 34.5256 60.9815 48.0484 -270.369 -139.457 106.866 -208.408 -146.836 PRESSAVG: 4103000 -0.97151 -21.2534 -67.3926 -21.2534 27.9034 -29.359 -67.3925 -29.3589 28.5728 GPRESSAVG: 4103000 -0.0121936 -19.3915 -67.2916 -18.8302 28.8507 -29.9045 -66.5954 -28.9436 26.3032 TIMING: 4103000 CPU: 12969.9, 0.00317425/step Wall: 12969.9, 0.00317425/step, 0.790917 hours remaining, 235.960938 MB of memory in use. ENERGY: 4103000 4027.4530 20505.4498 14520.8181 245.6767 -203025.2601 2388.6083 0.0000 0.0000 51738.5196 -109598.7345 297.3420 -161337.2542 -109240.9461 298.8990 -204.8979 -178.2944 762513.6530 18.5016 18.3806 PRESSURE: 4103200 -88.1016 -78.608 -165.14 -78.6088 131.173 -59.8961 -165.141 -59.8967 -279.635 GPRESSURE: 4103200 -30.2541 -171.296 -173.244 -83.2283 143.707 -198.249 -61.9349 37.3125 -276.083 PRESSAVG: 4103200 -41.9102 -55.4003 -50.6511 -55.4003 47.9018 -2.59368 -50.6511 -2.59368 -1.92516 GPRESSAVG: 4103200 -42.3696 -55.3934 -49.658 -56.0941 46.8747 -2.91373 -52.0798 -1.97376 -0.451368 TIMING: 4103200 CPU: 12970.5, 0.00314825/step Wall: 12970.5, 0.00314825/step, 0.784265 hours remaining, 235.960938 MB of memory in use. ENERGY: 4103200 3994.3391 20536.6896 14496.6440 234.0892 -203455.6277 2630.8091 0.0000 0.0000 51977.6164 -109585.4403 298.7161 -161563.0567 -109229.9356 298.4614 -78.8545 -54.2100 763056.9592 1.3555 1.3513 PRESSURE: 4103400 25.4619 76.2778 -45.6513 76.2784 -206.171 -18.5517 -45.6501 -18.5519 -17.7596 GPRESSURE: 4103400 109.489 52.0084 -76.8965 76.6216 -150.995 -5.89873 52.7917 3.29744 -70.6151 PRESSAVG: 4103400 -63.8503 2.60072 -9.24904 2.60078 81.9281 -11.422 -9.24894 -11.422 -6.40778 GPRESSAVG: 4103400 -63.2367 4.59908 -11.1306 2.52918 81.6159 -11.8512 -8.68104 -14.2687 -7.00292 TIMING: 4103400 CPU: 12971.2, 0.00320409/step Wall: 12971.2, 0.00320409/step, 0.797996 hours remaining, 235.960938 MB of memory in use. ENERGY: 4103400 4004.0162 20451.6308 14429.1369 249.7166 -203562.8498 2795.3997 0.0000 0.0000 51945.2756 -109687.6740 298.5302 -161632.9496 -109341.6204 298.3826 -66.1563 -37.3737 762278.5423 3.8900 3.7921 PRESSURE: 4103600 -35.5913 -64.556 406.336 -64.5566 -23.5576 32.3178 406.336 32.3188 -459.114 GPRESSURE: 4103600 -16.6226 -100.578 328.092 -141.181 11.8684 12.3281 401.39 39.8525 -432.797 PRESSAVG: 4103600 -12.8764 -27.3325 21.38 -27.3325 -0.00596498 9.91768 21.38 9.91771 -1.75811 GPRESSAVG: 4103600 -14.3535 -29.9633 21.0895 -27.5569 0.388137 11.6843 20.2882 9.46267 -1.38769 TIMING: 4103600 CPU: 12971.8, 0.00320196/step Wall: 12971.8, 0.00320196/step, 0.797289 hours remaining, 235.960938 MB of memory in use. ENERGY: 4103600 3977.8081 20359.4149 14517.7788 236.7827 -203281.3025 2554.4153 0.0000 0.0000 51983.0694 -109652.0332 298.7474 -161635.1027 -109292.2963 298.0396 -172.7544 -145.8505 762212.6244 -4.8801 -5.1177 PRESSURE: 4103800 -160.979 60.6315 47.9596 60.6312 -143.555 -106.321 47.9603 -106.321 96.6482 GPRESSURE: 4103800 -63.6018 -84.8383 100.184 119.348 -158.29 -75.393 79.2867 -189.717 88.0696 PRESSAVG: 4103800 -44.0613 -39.2352 -6.1275 -39.2352 44.6668 43.2746 -6.12746 43.2746 5.02255 GPRESSAVG: 4103800 -42.2439 -37.9835 -5.13359 -38.0716 43.7401 41.1806 -5.69041 44.565 4.2603 TIMING: 4103800 CPU: 12972.5, 0.00318247/step Wall: 12972.5, 0.00318247/step, 0.792259 hours remaining, 235.960938 MB of memory in use. ENERGY: 4103800 3956.0191 20462.3640 14457.8830 247.5788 -203468.5105 2568.2279 0.0000 0.0000 51899.3650 -109877.0728 298.2664 -161776.4378 -109522.9011 298.3190 -69.2953 -44.6074 761898.6317 1.8760 1.9188 PRESSURE: 4104000 -248.271 -108.051 119.557 -108.051 -91.74 -36.4388 119.557 -36.4382 -292.273 GPRESSURE: 4104000 -214.846 -25.5133 58.3694 -7.13074 -78.3972 -48.5027 143.484 8.19141 -262.782 PRESSAVG: 4104000 9.94829 -38.9813 41.7712 -38.9814 9.06694 16.0113 41.7711 16.0113 10.0304 GPRESSAVG: 4104000 9.40114 -39.0698 42.4438 -39.6339 9.29411 16.6267 41.1069 16.8853 10.5258 TIMING: 4104000 CPU: 12973.1, 0.00319278/step Wall: 12973.1, 0.00319278/step, 0.794647 hours remaining, 235.960938 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: 4104000 4013.9795 20309.2715 14575.1264 231.8148 -203284.6153 2187.8799 0.0000 0.0000 51952.5871 -110013.9562 298.5722 -161966.5433 -109651.2525 298.5020 -210.7614 -185.3417 761100.0427 9.6819 9.7404 PRESSURE: 4104200 -68.8786 -25.9088 -15.8717 -25.9092 -210.339 262.958 -15.8708 262.959 -97.4083 GPRESSURE: 4104200 31.7061 -124.628 -53.4881 -72.1619 -218.22 268.952 169.587 242.22 -80.1047 PRESSAVG: 4104200 34.6063 -49.1232 34.5047 -49.1232 -29.2292 5.89086 34.5048 5.89086 -7.284 GPRESSAVG: 4104200 33.8616 -48.6323 34.6721 -50.5746 -30.0706 2.89812 35.4232 6.63522 -5.67829 TIMING: 4104200 CPU: 12973.7, 0.00315767/step Wall: 12973.7, 0.00315767/step, 0.785733 hours remaining, 235.960938 MB of memory in use. ENERGY: 4104200 3917.5275 20524.6567 14588.1349 244.2388 -203418.6803 2611.4634 0.0000 0.0000 51767.2037 -109765.4553 297.5068 -161532.6590 -109400.7009 298.0710 -125.5419 -88.8730 762400.0472 -0.6356 -0.6291 LDB: ============= START OF LOAD BALANCING ============== 12986.3 LDB: ============== END OF LOAD BALANCING =============== 12986.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12986.3 LDB: ============= START OF LOAD BALANCING ============== 12986.6 LDB: Largest compute 7066 load 0.033450 is 17.1% of average load 0.195630 LDB: Average compute 0.004393 is 2.2% of average load 0.195630 LDB: TIME 12986.6 LOAD: AVG 0.19563 MAX 0.21419 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 233.965 MB LDB: TIME 12986.6 LOAD: AVG 0.19563 MAX 0.21419 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.082 MB LDB: TIME 12986.6 LOAD: AVG 0.19563 MAX 0.21419 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.082 MB LDB: ============== END OF LOAD BALANCING =============== 12986.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12986.6 PRESSURE: 4104400 -765.844 107.956 -26.389 107.956 -54.6585 33.736 -26.39 33.7365 -274.074 GPRESSURE: 4104400 -729.181 34.8139 26.1 88.3071 -30.6599 3.27798 32.3187 -41.5419 -253.672 PRESSAVG: 4104400 35.7159 -55.497 7.11341 -55.4969 -33.271 35.578 7.11336 35.578 -24.7492 GPRESSAVG: 4104400 36.4853 -57.5679 7.29977 -54.2061 -32.3761 38.6722 6.09959 34.4003 -26.3698 TIMING: 4104400 CPU: 12974.4, 0.00325485/step Wall: 12974.4, 0.00325485/step, 0.809735 hours remaining, 235.707031 MB of memory in use. ENERGY: 4104400 4004.0075 20426.1941 14602.7753 225.5944 -203681.0302 2625.0741 0.0000 0.0000 52131.0199 -109666.3649 299.5977 -161797.3848 -109308.3457 298.7610 -364.8589 -337.8376 761635.7140 -7.4348 -7.4202 PRESSURE: 4104600 212.183 -105.744 -124.86 -105.744 164.205 100.978 -124.859 100.979 -165.197 GPRESSURE: 4104600 281.833 -138.635 -171.809 -119.507 105.031 180.418 -85.8466 172.204 -95.5327 PRESSAVG: 4104600 -30.5118 -29.4519 -9.90086 -29.4519 59.9083 -4.7036 -9.90089 -4.70362 4.98611 GPRESSAVG: 4104600 -30.9089 -28.2905 -10.8445 -29.716 60.2895 -4.81763 -6.93825 -6.04564 4.93929 TIMING: 4104600 CPU: 12975, 0.00315412/step Wall: 12975, 0.00315412/step, 0.784499 hours remaining, 235.707031 MB of memory in use. ENERGY: 4104600 3974.2392 20282.1325 14505.9815 258.7833 -203736.4117 2883.9710 0.0000 0.0000 52341.4408 -109489.8635 300.8070 -161831.3042 -109112.7692 299.1542 70.3969 97.1105 761396.7307 11.4609 11.4399 PRESSURE: 4104800 142.105 61.6268 97.7555 61.627 378.784 178.093 97.7554 178.093 60.2871 GPRESSURE: 4104800 147.146 47.014 56.5646 -0.698882 445.58 164.758 84.21 225.84 58.9981 PRESSAVG: 4104800 8.01732 -56.3767 -31.3359 -56.3768 9.40762 -7.30701 -31.3359 -7.30695 22.007 GPRESSAVG: 4104800 10.0975 -54.0102 -31.6787 -55.1827 8.82429 -8.00849 -35.2705 -5.23573 20.3629 TIMING: 4104800 CPU: 12975.7, 0.00319394/step Wall: 12975.7, 0.00319394/step, 0.794228 hours remaining, 235.707031 MB of memory in use. ENERGY: 4104800 3964.6170 20418.8949 14580.6605 253.9856 -203548.9994 2759.9489 0.0000 0.0000 52127.4496 -109443.4430 299.5772 -161570.8926 -109081.5841 299.1511 193.7252 217.2415 760913.3931 13.1440 13.0949 PRESSURE: 4105000 -98.8039 -44.0797 34.0459 -44.0795 689.02 -86.8402 34.0467 -86.8395 -114.328 GPRESSURE: 4105000 -102.792 -13.9088 45.3411 -12.0352 719.338 -37.395 158.209 -27.5721 -62.1272 PRESSAVG: 4105000 -28.9775 -25.2286 -25.558 -25.2286 26.9237 6.00686 -25.558 6.00693 -0.982177 GPRESSAVG: 4105000 -30.0041 -28.6773 -24.554 -26.178 27.0149 7.59657 -23.5578 4.27561 -0.152687 TIMING: 4105000 CPU: 12976.3, 0.00319253/step Wall: 12976.3, 0.00319253/step, 0.793697 hours remaining, 235.707031 MB of memory in use. ENERGY: 4105000 3951.7642 20413.4906 14593.4259 244.8622 -203154.6523 2398.0881 0.0000 0.0000 52005.6799 -109547.3415 298.8774 -161553.0214 -109178.5970 298.9051 158.6292 184.8063 760274.3561 -1.0120 -1.0473 PRESSURE: 4105200 -129.762 -246.469 35.4238 -246.469 232.238 -53.2796 35.4243 -53.279 -329.881 GPRESSURE: 4105200 -77.4021 -156.626 20.1435 -185.093 253.237 -48.2425 -9.28285 -124.677 -304.548 PRESSAVG: 4105200 -38.9219 0.700072 2.85665 0.700046 71.7166 -15.6346 2.85663 -15.6345 21.4364 GPRESSAVG: 4105200 -38.7346 0.288494 1.80759 2.55468 72.0087 -15.8046 2.82748 -13.4801 21.3027 TIMING: 4105200 CPU: 12976.9, 0.00318098/step Wall: 12976.9, 0.00318098/step, 0.790649 hours remaining, 235.707031 MB of memory in use. ENERGY: 4105200 3951.2098 20551.1642 14499.3927 259.4769 -203345.9852 2381.9707 0.0000 0.0000 52184.4100 -109518.3609 299.9045 -161702.7710 -109155.1805 298.7962 -75.8017 -42.9044 762143.8598 18.0770 18.1923 PRESSURE: 4105400 198.022 -152.225 -204.717 -152.225 109.054 -40.7738 -204.718 -40.7728 -247.841 GPRESSURE: 4105400 127.333 -84.882 -180.046 -38.8927 158.736 -30.681 -121.461 -71.7989 -153.487 PRESSAVG: 4105400 -8.84369 -47.7571 8.20392 -47.7571 -9.431 -22.0356 8.20389 -22.0355 -28.6339 GPRESSAVG: 4105400 -9.03684 -45.9338 10.5802 -48.5535 -10.086 -23.4326 4.5522 -22.6156 -27.3914 TIMING: 4105400 CPU: 12977.6, 0.00318149/step Wall: 12977.6, 0.00318149/step, 0.7906 hours remaining, 235.707031 MB of memory in use. ENERGY: 4105400 3932.4780 20599.6838 14553.4678 249.3564 -203331.2230 2504.0804 0.0000 0.0000 51933.9520 -109558.2045 298.4651 -161492.1565 -109196.9316 298.9998 19.7451 44.1938 761613.7719 -15.6362 -15.5047 PRESSURE: 4105600 -23.7199 69.0677 -243.02 69.067 -216.068 83.8327 -243.02 83.8324 220.789 GPRESSURE: 4105600 -77.4454 -84.4917 -195.655 90.0731 -57.7957 103.623 -316.855 86.6904 194.994 PRESSAVG: 4105600 -0.93893 -10.022 -25.6835 -10.022 12.7618 -13.6598 -25.6835 -13.6599 14.5623 GPRESSAVG: 4105600 -1.35377 -10.3354 -27.5229 -10.6232 13.6046 -12.5011 -22.1573 -15.8231 13.8127 TIMING: 4105600 CPU: 12978.2, 0.00315324/step Wall: 12978.2, 0.00315324/step, 0.783406 hours remaining, 235.707031 MB of memory in use. ENERGY: 4105600 3979.6003 20559.1009 14542.9217 245.4048 -203297.8332 2463.5380 0.0000 0.0000 51933.0636 -109574.2038 298.4600 -161507.2674 -109217.6000 299.0025 -6.3330 19.9177 762397.3361 8.7951 8.6878 PRESSURE: 4105800 -223.766 -79.047 -70.1054 -79.0475 -313.467 -176.062 -70.1061 -176.063 216.537 GPRESSURE: 4105800 -202.902 33.9433 -61.3252 -57.9247 -215.873 -240.378 -91.0688 -138.609 188.744 PRESSAVG: 4105800 -18.245 2.64971 -35.2019 2.64968 54.6987 -22.6169 -35.2019 -22.6169 -12.2134 GPRESSAVG: 4105800 -19.0406 1.51679 -34.738 2.08473 55.1038 -24.3437 -36.2253 -20.4689 -11.8593 TIMING: 4105800 CPU: 12978.8, 0.00315234/step Wall: 12978.8, 0.00315234/step, 0.783006 hours remaining, 235.707031 MB of memory in use. ENERGY: 4105800 3890.8512 20545.3086 14431.8243 252.6762 -203069.5983 2389.3981 0.0000 0.0000 52029.2833 -109530.2566 299.0130 -161559.5398 -109166.4742 298.6218 -106.8990 -76.6770 761645.0199 8.0801 8.0680 PRESSURE: 4106000 -56.5929 -95.7486 -44.1619 -95.7483 100.338 50.4106 -44.1617 50.4111 313.992 GPRESSURE: 4106000 37.4484 -132.756 -0.350375 -153.219 100.159 166.164 -147.213 -8.5172 318.359 PRESSAVG: 4106000 14.3322 -18.4216 -43.4927 -18.4216 41.2163 -7.65839 -43.4926 -7.65843 23.8215 GPRESSAVG: 4106000 15.4212 -19.1011 -44.4781 -17.4725 40.5287 -4.67885 -42.172 -8.7934 23.3215 TIMING: 4106000 CPU: 12979.5, 0.00316046/step Wall: 12979.5, 0.00316046/step, 0.784848 hours remaining, 235.707031 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: 4106000 3942.7638 20530.3031 14495.6662 242.4832 -203760.0586 3081.9097 0.0000 0.0000 52087.2049 -109379.7279 299.3459 -161466.9327 -109015.8113 298.6452 119.2455 151.9888 763593.3801 26.4566 26.4238 PRESSURE: 4106200 -61.1942 32.215 174.223 32.2147 5.69441 55.2053 174.223 55.2047 315.851 GPRESSURE: 4106200 17.8977 85.6883 70.2111 45.1252 45.5215 71.1049 119.296 100.842 274.073 PRESSAVG: 4106200 -23.8336 -33.4418 -27.3743 -33.4418 21.0482 -33.0092 -27.3743 -33.0092 36.4887 GPRESSAVG: 4106200 -24.489 -32.4316 -25.5126 -32.6905 20.8132 -34.7122 -30.3956 -32.6223 37.5585 TIMING: 4106200 CPU: 12980.1, 0.00315374/step Wall: 12980.1, 0.00315374/step, 0.783003 hours remaining, 235.707031 MB of memory in use. ENERGY: 4106200 3937.4697 20450.1833 14490.8661 248.5248 -203185.7862 2540.4539 0.0000 0.0000 52059.6694 -109458.6190 299.1876 -161518.2885 -109091.6336 298.8274 86.7839 112.4975 762889.3130 11.2345 11.2942 PRESSURE: 4106400 -130.105 -48.5314 53.7053 -48.5314 -360.156 -241.009 53.705 -241.009 -408.422 GPRESSURE: 4106400 -126.593 -49.8002 118.725 -117.581 -285.569 -164.838 202.626 -236.557 -408.392 PRESSAVG: 4106400 -55.6463 -10.5332 4.24605 -10.5332 19.0217 -26.9352 4.2461 -26.9352 24.0336 GPRESSAVG: 4106400 -55.3242 -10.3931 2.21481 -11.4293 18.5221 -27.7566 6.74716 -27.3292 24.1413 TIMING: 4106400 CPU: 12980.7, 0.00313718/step Wall: 12980.7, 0.00313718/step, 0.778718 hours remaining, 235.707031 MB of memory in use. ENERGY: 4106400 3919.5304 20477.2168 14480.4504 254.4830 -202792.6146 2407.3400 0.0000 0.0000 51929.8047 -109323.7893 298.4413 -161253.5940 -108954.9620 298.4902 -299.5610 -273.5178 764150.6516 -4.1970 -4.2203 PRESSURE: 4106600 201.105 27.1682 25.4104 27.1685 -168.977 -76.1225 25.4103 -76.1216 -92.8392 GPRESSURE: 4106600 287.18 -8.39135 -47.5447 -28.5371 -159.14 -38.0585 -129.996 -78.1457 -116.361 PRESSAVG: 4106600 -1.4988 -18.0394 20.761 -18.0394 27.7253 -12.9597 20.761 -12.9596 -0.125206 GPRESSAVG: 4106600 -1.80878 -17.9818 20.801 -19.616 27.5536 -13.0172 19.2941 -12.5448 0.285454 TIMING: 4106600 CPU: 12981.4, 0.00317156/step Wall: 12981.4, 0.00317156/step, 0.787075 hours remaining, 235.707031 MB of memory in use. ENERGY: 4106600 3928.9006 20439.7438 14473.4215 255.6788 -203471.9047 2813.9602 0.0000 0.0000 52142.5761 -109417.6238 299.6641 -161560.1999 -109054.6755 299.2470 -20.2371 3.8929 762533.1541 8.7004 8.6767 PRESSURE: 4106800 -325.475 -111.15 -96.7314 -111.151 -110.29 -9.60856 -96.731 -9.60908 -32.7925 GPRESSURE: 4106800 -279.574 -152.864 -104.364 -124.277 -42.0952 60.4864 -50.2109 -116.607 -69.868 PRESSAVG: 4106800 -32.2087 -16.5023 22.1512 -16.5024 41.4278 -15.4527 22.1512 -15.4527 -26.7972 GPRESSAVG: 4106800 -31.8693 -16.075 23.1644 -15.0731 42.0931 -13.4001 22.1099 -17.3037 -27.5068 TIMING: 4106800 CPU: 12982, 0.00316576/step Wall: 12982, 0.00316576/step, 0.785461 hours remaining, 235.707031 MB of memory in use. ENERGY: 4106800 3967.4990 20550.1771 14518.3663 249.0389 -203472.2281 2796.0504 0.0000 0.0000 51912.9575 -109478.1390 298.3445 -161391.0965 -109123.8835 298.8787 -156.1857 -130.5122 763875.8781 -5.8593 -5.7610 PRESSURE: 4107000 -59.3594 -122.858 233.405 -122.858 -67.0401 81.9116 233.404 81.91 -420.52 GPRESSURE: 4107000 -84.6591 -191.218 200.89 44.8734 -6.65927 71.2577 218.875 36.3436 -369.313 PRESSAVG: 4107000 -63.8795 22.0961 45.5259 22.096 19.2649 -23.7923 45.5259 -23.7923 -12.8865 GPRESSAVG: 4107000 -62.9259 19.4639 47.2635 22.6785 19.4304 -26.0088 48.021 -22.0557 -13.4252 TIMING: 4107000 CPU: 12982.6, 0.00316291/step Wall: 12982.6, 0.00316291/step, 0.784577 hours remaining, 235.707031 MB of memory in use. ENERGY: 4107000 3952.7768 20505.8134 14553.8375 255.2381 -203121.3633 2484.7736 0.0000 0.0000 51836.3136 -109532.6103 297.9040 -161368.9239 -109183.6941 298.7881 -182.3065 -153.5437 764182.5763 -19.1670 -18.9736 PRESSURE: 4107200 -407.511 32.0853 -181.707 32.0846 -163.545 -31.6085 -181.707 -31.6091 149.191 GPRESSURE: 4107200 -408.03 2.99149 -258.964 35.1195 -121.876 -99.7559 -108.622 -134.003 177.988 PRESSAVG: 4107200 -41.544 0.363147 -0.10957 0.363148 57.7863 -37.2124 -0.1096 -37.2123 -37.5244 GPRESSAVG: 4107200 -42.8817 2.5531 -0.633395 -0.327707 57.4451 -37.7879 -1.13548 -37.9876 -36.2058 TIMING: 4107200 CPU: 12983.3, 0.00316861/step Wall: 12983.3, 0.00316861/step, 0.785816 hours remaining, 235.707031 MB of memory in use. ENERGY: 4107200 3971.0658 20525.4998 14451.4480 267.2288 -203574.0777 2719.0432 0.0000 0.0000 52069.0619 -109570.7301 299.2416 -161639.7920 -109211.9209 298.8012 -140.6216 -117.3060 763713.4064 -7.0941 -7.2141 PRESSURE: 4107400 -192.14 -216.952 331.811 -216.953 294.522 22.9212 331.812 22.922 139.769 GPRESSURE: 4107400 -115.365 -87.372 347.222 -242.562 301.994 -21.4443 292.717 37.4359 151.229 PRESSAVG: 4107400 -10.6687 -3.73945 -8.0709 -3.73944 -53.2624 25.0253 -8.07092 25.0254 5.68369 GPRESSAVG: 4107400 -9.38047 -3.57189 -9.68865 -3.88333 -53.3795 25.9724 -7.08559 23.4884 4.18253 TIMING: 4107400 CPU: 12983.9, 0.00318741/step Wall: 12983.9, 0.00318741/step, 0.790301 hours remaining, 235.832031 MB of memory in use. ENERGY: 4107400 4025.6046 20611.4616 14519.9389 235.1818 -203422.0139 2707.6797 0.0000 0.0000 51829.9114 -109492.2359 297.8672 -161322.1473 -109137.9533 298.7552 80.7169 112.6191 764045.7433 -19.4158 -19.5258 PRESSURE: 4107600 96.1566 -18.6649 -64.8393 -18.6653 123.157 85.1047 -64.8395 85.1048 -249.373 GPRESSURE: 4107600 114.012 -2.32365 -95.613 -115.141 191.454 76.1232 -106.041 44.428 -251.085 PRESSAVG: 4107600 32.4771 -29.546 2.4951 -29.5461 34.5176 -5.057 2.49512 -5.05699 -4.5377 GPRESSAVG: 4107600 32.4617 -30.4459 3.24243 -28.8427 33.1779 -5.73944 1.8285 -2.04598 -3.53044 TIMING: 4107600 CPU: 12984.5, 0.00319564/step Wall: 12984.5, 0.00319564/step, 0.792163 hours remaining, 235.832031 MB of memory in use. ENERGY: 4107600 4033.0588 20689.2039 14517.1897 241.0695 -203925.2386 2888.0573 0.0000 0.0000 51920.0661 -109636.5932 298.3853 -161556.6593 -109288.2538 299.4774 -10.0195 18.1271 760636.6801 20.8190 20.7031 PRESSURE: 4107800 152.494 -92.8339 26.852 -92.8331 -94.008 -24.5116 26.8521 -24.5103 195.277 GPRESSURE: 4107800 163.694 -126.41 87.64 -87.4527 -6.29031 15.5636 58.8407 27.8953 173.923 PRESSAVG: 4107800 -6.8239 1.09523 -38.9577 1.09527 25.4466 22.6028 -38.9578 22.6029 19.6733 GPRESSAVG: 4107800 -6.39087 -0.556832 -39.8213 2.31721 25.684 24.8436 -38.3681 23.2553 19.2297 TIMING: 4107800 CPU: 12985.2, 0.00315341/step Wall: 12985.2, 0.00315341/step, 0.781521 hours remaining, 235.832031 MB of memory in use. ENERGY: 4107800 3944.2497 20560.5074 14556.3811 229.1369 -203917.7667 3060.4952 0.0000 0.0000 52085.6473 -109481.3491 299.3369 -161566.9964 -109122.2772 298.9865 84.5875 110.4421 761640.3180 12.7653 12.8409 PRESSURE: 4108000 -40.8373 95.6228 -51.551 95.6228 269.523 -30.1361 -51.5511 -30.1366 131.985 GPRESSURE: 4108000 -6.08069 6.54226 -5.28344 42.9957 273.52 1.88142 -118.934 61.8982 193.515 PRESSAVG: 4108000 14.7504 -25.0896 -48.4158 -25.0895 -26.3903 -34.3245 -48.4158 -34.3244 -9.83068 GPRESSAVG: 4108000 13.1813 -24.5534 -48.0119 -28.6166 -25.223 -34.516 -47.8112 -36.348 -10.3002 TIMING: 4108000 CPU: 12985.8, 0.0031596/step Wall: 12985.8, 0.0031596/step, 0.78288 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: 4108000 3938.2440 20702.1318 14500.0253 240.6234 -203709.2101 3060.9943 0.0000 0.0000 51693.5270 -109573.6643 297.0834 -161267.1913 -109225.2377 299.1394 120.2235 153.6513 763436.9699 -7.1568 -7.4473 PRESSURE: 4108200 124.533 83.7168 160.684 83.717 182.024 100.507 160.684 100.507 -293.66 GPRESSURE: 4108200 112.728 46.222 146.344 98.0817 226.209 37.8337 41.1956 125.358 -238.834 PRESSAVG: 4108200 2.97049 11.1586 -22.9568 11.1586 -4.85814 39.5993 -22.9568 39.5993 -10.0471 GPRESSAVG: 4108200 3.10612 12.0402 -21.4675 13.9033 -6.03567 38.4207 -24.1431 41.3181 -8.9557 TIMING: 4108200 CPU: 12986.4, 0.00316964/step Wall: 12986.4, 0.00316964/step, 0.785189 hours remaining, 235.832031 MB of memory in use. ENERGY: 4108200 4024.9411 20710.2909 14465.1693 266.1542 -203643.6573 2750.8589 0.0000 0.0000 52033.7747 -109392.4683 299.0388 -161426.2430 -109043.4588 299.0637 4.2989 33.3678 762907.3648 -3.9783 -3.9617 LDB: ============= START OF LOAD BALANCING ============== 12999 LDB: ============== END OF LOAD BALANCING =============== 12999 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12999 LDB: ============= START OF LOAD BALANCING ============== 12999.3 LDB: Largest compute 7067 load 0.031629 is 16.2% of average load 0.195665 LDB: Average compute 0.004373 is 2.2% of average load 0.195665 LDB: TIME 12999.3 LOAD: AVG 0.195665 MAX 0.217322 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.988 MB LDB: TIME 12999.3 LOAD: AVG 0.195665 MAX 0.217322 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: TIME 12999.3 LOAD: AVG 0.195665 MAX 0.217322 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.195 MB LDB: ============== END OF LOAD BALANCING =============== 12999.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12999.3 PRESSURE: 4108400 15.5381 -86.5181 -45.0003 -86.5177 123.991 94.0162 -45 94.0158 36.522 GPRESSURE: 4108400 72.0899 -100.033 -31.8564 -142.916 135.714 44.2902 -73.0891 177.877 32.6426 PRESSAVG: 4108400 19.2254 -12.3267 -28.8915 -12.3267 -60.0168 -7.52261 -28.8916 -7.52269 3.39528 GPRESSAVG: 4108400 19.6056 -11.4626 -29.3698 -13.0471 -58.9704 -6.37682 -29.2529 -7.99256 1.37487 TIMING: 4108400 CPU: 12987.1, 0.00321703/step Wall: 12987.1, 0.00321703/step, 0.796751 hours remaining, 237.195312 MB of memory in use. ENERGY: 4108400 3995.6411 20412.0661 14505.0837 245.0267 -203746.1171 2967.2692 0.0000 0.0000 52061.7787 -109559.2516 299.1998 -161621.0303 -109201.2316 298.8759 58.6836 80.1490 762482.2209 -12.4653 -12.6633 PRESSURE: 4108600 135.13 126.294 -129.813 126.294 -360.547 138.599 -129.813 138.599 -233.719 GPRESSURE: 4108600 144.202 156.157 -172.102 176.16 -259.77 142.496 -105.597 239.486 -272.869 PRESSAVG: 4108600 -9.56728 10.2579 -10.7661 10.2579 7.72005 -44.1609 -10.7661 -44.1609 -3.69921 GPRESSAVG: 4108600 -10.6317 10.7176 -12.5478 9.28998 7.97263 -43.8845 -10.1544 -45.8973 -2.98931 TIMING: 4108600 CPU: 12987.7, 0.00315375/step Wall: 12987.7, 0.00315375/step, 0.780904 hours remaining, 237.398438 MB of memory in use. ENERGY: 4108600 4010.8619 20454.1617 14584.0156 221.3618 -203722.5452 2650.9747 0.0000 0.0000 52098.4167 -109702.7526 299.4103 -161801.1694 -109338.4327 298.9066 -153.0455 -129.4794 761667.6627 -1.8488 -1.8828 PRESSURE: 4108800 47.6575 -1.35443 33.6305 -1.35454 -343.861 12.2928 33.6299 12.2934 6.58546 GPRESSURE: 4108800 110.891 73.4986 -41.2254 -69.5198 -270.599 -27.8765 154.92 113.762 -54.4142 PRESSAVG: 4108800 -29.1866 4.38348 -16.6928 4.38353 -2.46861 -54.5712 -16.6927 -54.5713 5.48767 GPRESSAVG: 4108800 -28.0509 2.73217 -15.9506 5.76521 -2.08947 -55.8338 -15.3814 -51.0941 3.73092 TIMING: 4108800 CPU: 12988.3, 0.00315086/step Wall: 12988.3, 0.00315086/step, 0.780013 hours remaining, 237.535156 MB of memory in use. ENERGY: 4108800 4074.0307 20595.1128 14516.6245 247.6928 -203551.1548 2846.5052 0.0000 0.0000 51682.2807 -109588.9080 297.0188 -161271.1887 -109227.0059 298.8651 -96.5393 -71.3740 763780.1978 -8.7225 -8.8031 PRESSURE: 4109000 -47.3784 49.9729 102.311 49.9727 163.836 130.387 102.311 130.388 -362.56 GPRESSURE: 4109000 -9.61685 29.8088 124.054 81.8995 167.496 75.4954 46.9494 49.9267 -323.582 PRESSAVG: 4109000 31.1911 -8.03071 -0.159909 -8.03067 -16.9407 -35.7418 -0.159962 -35.7418 -34.709 GPRESSAVG: 4109000 30.3596 -7.42253 0.444711 -9.74404 -16.9279 -34.5621 -1.85648 -37.8507 -34.5708 TIMING: 4109000 CPU: 12989, 0.00318263/step Wall: 12989, 0.00318263/step, 0.787701 hours remaining, 237.535156 MB of memory in use. ENERGY: 4109000 4107.9356 20383.0311 14535.3158 258.1171 -203847.9839 2903.0494 0.0000 0.0000 51962.6385 -109697.8963 298.6300 -161660.5348 -109329.9402 298.9387 -82.0342 -55.2344 762946.1635 -6.8195 -7.0464 PRESSURE: 4109200 -125.936 14.3762 65.9324 14.3756 98.0988 -132.231 65.9324 -132.229 213.87 GPRESSURE: 4109200 -0.287888 12.4297 18.6335 -27.1296 101.56 -102.467 -16.2104 -114.164 169.787 PRESSAVG: 4109200 -58.4702 17.4547 -31.213 17.4546 71.3817 -9.4426 -31.213 -9.44267 25.6916 GPRESSAVG: 4109200 -56.5644 17.8329 -31.6108 17.2527 69.4531 -10.3325 -31.776 -9.06292 25.5779 TIMING: 4109200 CPU: 12989.6, 0.00318626/step Wall: 12989.6, 0.00318626/step, 0.788422 hours remaining, 237.535156 MB of memory in use. ENERGY: 4109200 4073.3116 20547.3704 14462.4467 234.3554 -203617.4904 2631.0359 0.0000 0.0000 51941.3618 -109727.6087 298.5077 -161668.9705 -109359.5177 298.3899 62.0108 90.3532 760629.8249 12.8677 12.8222 PRESSURE: 4109400 458.498 -121.212 156.04 -121.213 73.4868 -295.724 156.04 -295.725 -68.8258 GPRESSURE: 4109400 400.748 -196.884 108.542 -80.4081 182.166 -292.12 310.96 -287.668 -45.1316 PRESSAVG: 4109400 -38.8357 -35.3824 -21.3423 -35.3824 56.8071 -1.04392 -21.3424 -1.04386 -4.74684 GPRESSAVG: 4109400 -41.1563 -35.745 -21.5897 -36.3267 57.827 -0.917082 -21.0308 -1.94178 -3.51782 TIMING: 4109400 CPU: 12990.2, 0.00317723/step Wall: 12990.2, 0.00317724/step, 0.786013 hours remaining, 237.535156 MB of memory in use. ENERGY: 4109400 4035.9232 20531.6529 14570.9839 243.0109 -204094.8126 3098.7975 0.0000 0.0000 51989.6115 -109624.8329 298.7850 -161614.4443 -109263.0660 299.0838 154.3862 179.2609 762526.5525 4.4082 4.3843 PRESSURE: 4109600 -167.453 -142.135 -83.6456 -142.135 92.9995 -132.742 -83.6454 -132.742 -174.08 GPRESSURE: 4109600 -92.0161 -17.9533 -76.7319 18.1717 75.5865 -155.737 -98.0781 -144.642 -154.776 PRESSAVG: 4109600 -58.5131 -16.9792 -23.5137 -16.9792 18.2008 -9.16026 -23.5137 -9.16024 -15.6407 GPRESSAVG: 4109600 -58.0496 -17.5192 -20.7178 -14.5004 18.6433 -11.4262 -22.2166 -6.57891 -15.9435 TIMING: 4109600 CPU: 12990.9, 0.00316568/step Wall: 12990.9, 0.00316568/step, 0.782978 hours remaining, 237.535156 MB of memory in use. ENERGY: 4109600 4024.2187 20638.2500 14564.2447 242.5644 -203676.8296 2581.6435 0.0000 0.0000 52141.7504 -109484.1577 299.6594 -161625.9082 -109119.6355 299.1249 -82.8445 -57.0685 762939.8907 -18.6510 -18.4499 PRESSURE: 4109800 234.425 86.6257 142.975 86.6255 -273.083 26.6829 142.975 26.6831 -185.46 GPRESSURE: 4109800 291.187 60.6817 165.153 96.3914 -272.451 134.302 -24.546 59.4247 -180.159 PRESSAVG: 4109800 -18.6133 -2.63449 -0.374528 -2.63449 2.01174 -33.1552 -0.374535 -33.1551 -12.0446 GPRESSAVG: 4109800 -18.2196 -1.17892 -4.07927 -4.4247 0.999 -32.1856 -3.18312 -33.3598 -11.6942 TIMING: 4109800 CPU: 12991.5, 0.00318263/step Wall: 12991.5, 0.00318263/step, 0.786994 hours remaining, 237.535156 MB of memory in use. ENERGY: 4109800 3998.9402 20541.4672 14483.1238 246.7393 -203239.6519 2448.4093 0.0000 0.0000 52125.3922 -109395.5800 299.5653 -161520.9722 -109032.3290 299.4304 -74.7060 -53.8077 763669.7361 -9.5487 -9.6383 PRESSURE: 4110000 -490.188 -112.538 192.859 -112.539 -115.719 -294.801 192.86 -294.802 -238.118 GPRESSURE: 4110000 -462.429 -239.035 187.617 -29.7876 -29.622 -309.685 78.9453 -351.057 -244.295 PRESSAVG: 4110000 6.60636 10.0291 55.6685 10.0291 -17.1389 30.3995 55.6685 30.3994 -9.98191 GPRESSAVG: 4110000 4.67934 8.41901 56.5293 12.9091 -14.5717 31.4504 58.0732 27.7423 -10.397 TIMING: 4110000 CPU: 12992.1, 0.00316795/step Wall: 12992.1, 0.00316795/step, 0.783188 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: 4110000 4077.8752 20467.7767 14402.2069 259.9615 -203009.5996 2483.9779 0.0000 0.0000 51879.6477 -109438.1537 298.1530 -161317.8014 -109077.5540 299.5320 -281.3415 -245.4487 763075.7484 -6.8382 -6.7631 PRESSURE: 4110200 -63.2141 -168.678 -105.422 -168.678 272.746 12.6861 -105.422 12.6862 -229.91 GPRESSURE: 4110200 -64.4934 -18.0771 -67.8944 -12.7018 263.278 -120.872 -312.507 72.8883 -130.496 PRESSAVG: 4110200 -49.7617 -16.4677 15.0436 -16.4677 74.2954 -8.14072 15.0436 -8.1407 12.4513 GPRESSAVG: 4110200 -47.4813 -12.748 16.2386 -17.9452 72.5795 -9.93431 12.0752 -6.55176 11.8479 TIMING: 4110200 CPU: 12992.8, 0.0031687/step Wall: 12992.8, 0.0031687/step, 0.783196 hours remaining, 237.535156 MB of memory in use. ENERGY: 4110200 4027.1190 20474.6810 14441.4663 257.0634 -203281.2131 2731.1722 0.0000 0.0000 51693.5807 -109656.1306 297.0837 -161349.7112 -109305.5920 298.9381 -6.7927 22.7629 762135.6294 12.3284 12.3153 PRESSURE: 4110400 -220.947 35.7299 -235.222 35.7287 139.551 82.9431 -235.222 82.9428 86.9977 GPRESSURE: 4110400 -219.451 -112.774 -268.048 18.5874 170.598 114.445 -45.9743 13.3129 148.242 PRESSAVG: 4110400 -2.24424 -13.5932 4.62473 -13.5932 35.4272 -51.3611 4.62474 -51.3611 -1.08325 GPRESSAVG: 4110400 -2.89279 -17.1682 3.61623 -12.1878 35.2064 -50.872 6.80989 -51.4581 -0.119329 TIMING: 4110400 CPU: 12993.4, 0.00317251/step Wall: 12993.4, 0.00317251/step, 0.783961 hours remaining, 237.535156 MB of memory in use. ENERGY: 4110400 3925.5236 20437.9018 14428.5444 236.8827 -203105.9692 2570.8004 0.0000 0.0000 51908.5078 -109597.8084 298.3189 -161506.3162 -109231.8196 298.8900 1.8672 33.1298 762748.1099 10.6999 10.7314 PRESSURE: 4110600 -194.62 156.38 -241.833 156.38 -114.832 -212.706 -241.832 -212.703 -154.604 GPRESSURE: 4110600 -209.424 207.984 -180.214 72.0859 -70.4618 -245.739 -123.149 -177.395 -90.6264 PRESSAVG: 4110600 -86.9982 -24.4238 -18.6042 -24.4238 50.6741 -57.5571 -18.6042 -57.5572 8.91079 GPRESSAVG: 4110600 -86.4184 -23.6244 -18.2249 -25.0191 50.2961 -58.2369 -17.7102 -57.7517 8.66806 TIMING: 4110600 CPU: 12994, 0.00317245/step Wall: 12994, 0.00317245/step, 0.783771 hours remaining, 237.535156 MB of memory in use. ENERGY: 4110600 4029.1084 20379.0743 14504.7501 256.9574 -203113.4187 2401.2832 0.0000 0.0000 51960.8281 -109581.4171 298.6196 -161542.2451 -109222.8417 298.6366 -154.6855 -123.5041 762134.8816 -9.1378 -9.1514 PRESSURE: 4110800 42.4744 43.8657 121.856 43.8666 114.7 -87.32 121.856 -87.3195 230.848 GPRESSURE: 4110800 136.086 -2.2491 189.2 147.555 148.326 -100.349 7.92704 8.46377 162.12 PRESSAVG: 4110800 -86.4614 -38.1926 20.131 -38.1926 73.7999 -19.0778 20.131 -19.0779 34.64 GPRESSAVG: 4110800 -85.1519 -36.7615 18.2931 -38.451 73.6119 -18.3587 19.514 -19.9916 32.8165 TIMING: 4110800 CPU: 12994.7, 0.00315833/step Wall: 12994.7, 0.00315833/step, 0.780109 hours remaining, 237.535156 MB of memory in use. ENERGY: 4110800 3997.6213 20608.4575 14435.2314 234.1236 -203675.1716 2753.8610 0.0000 0.0000 51990.4918 -109655.3850 298.7901 -161645.8767 -109302.5695 298.4020 129.3407 148.8438 761699.1976 7.3262 7.0922 PRESSURE: 4111000 -113.156 58.536 -16.01 58.5366 -36.2767 -168.995 -16.0104 -168.995 40.3422 GPRESSURE: 4111000 -113.317 29.4776 30.9089 20.8104 18.62 -102.549 -40.347 -145.383 68.9448 PRESSAVG: 4111000 -21.9916 -1.994 56.1132 -1.99403 29.4704 6.03416 56.1132 6.03417 -26.6644 GPRESSAVG: 4111000 -24.488 -3.1165 58.2653 -3.86757 29.9757 7.57739 55.919 5.55176 -24.9655 TIMING: 4111000 CPU: 12995.3, 0.00315125/step Wall: 12995.3, 0.00315125/step, 0.778183 hours remaining, 237.535156 MB of memory in use. ENERGY: 4111000 3923.3904 20470.0533 14480.9504 245.6381 -203629.2034 2776.1748 0.0000 0.0000 51853.5187 -109879.4777 298.0029 -161732.9965 -109519.4519 298.2972 -36.3636 -8.5840 762383.6646 -6.3952 -6.4926 PRESSURE: 4111200 234.33 -199.999 218.533 -199.999 100.367 134.109 218.533 134.108 -231.138 GPRESSURE: 4111200 293.165 -97.7762 120.149 -264.68 76.7762 120.075 131.579 70.8477 -191.276 PRESSAVG: 4111200 12.0914 -20.2239 -15.0629 -20.2239 -5.1032 -15.4046 -15.0629 -15.4046 -2.34139 GPRESSAVG: 4111200 13.3065 -19.4336 -15.7184 -18.7454 -4.96574 -17.1099 -15.8831 -15.8009 -3.74115 TIMING: 4111200 CPU: 12995.9, 0.00315026/step Wall: 12995.9, 0.00315026/step, 0.777764 hours remaining, 237.535156 MB of memory in use. ENERGY: 4111200 3919.5121 20531.5487 14576.2322 242.3680 -203685.2399 2722.6900 0.0000 0.0000 51949.8449 -109743.0439 298.5565 -161692.8889 -109391.7684 297.9671 34.5198 59.5552 760408.6779 1.5489 1.5332 PRESSURE: 4111400 -368.932 122.325 246.244 122.325 -165.58 -54.3785 246.243 -54.3771 -343.849 GPRESSURE: 4111400 -336.307 225.111 185.847 145.231 -67.2579 -46.2664 303.072 -133.247 -382.456 PRESSAVG: 4111400 42.7943 -11.243 37.0525 -11.2431 -27.0473 -39.3244 37.0524 -39.3244 -27.9855 GPRESSAVG: 4111400 42.5956 -13.3911 35.5686 -12.2068 -26.7179 -39.0755 36.3737 -38.8992 -28.0778 TIMING: 4111400 CPU: 12996.6, 0.00316323/step Wall: 12996.6, 0.00316323/step, 0.78079 hours remaining, 237.535156 MB of memory in use. ENERGY: 4111400 3989.0909 20569.8407 14535.3228 228.6600 -203452.8746 2470.3679 0.0000 0.0000 52115.5488 -109544.0435 299.5088 -161659.5923 -109174.0025 298.8644 -292.7870 -262.0071 762270.8342 -4.0795 -4.0667 PRESSURE: 4111600 -16.4221 -188.711 83.0683 -188.711 136.405 24.1566 83.0668 24.1568 -367.617 GPRESSURE: 4111600 4.27671 -89.9875 75.1792 -143.853 140.978 26.6783 140.178 -42.759 -327.784 PRESSAVG: 4111600 -38.3812 -69.7712 -1.72896 -69.7712 37.7001 -19.5142 -1.72896 -19.5142 22.7699 GPRESSAVG: 4111600 -38.8557 -67.7271 -0.596854 -68.1823 37.3431 -19.1433 -1.14197 -21.5981 23.9331 TIMING: 4111600 CPU: 12997.2, 0.00316796/step Wall: 12997.2, 0.00316796/step, 0.781782 hours remaining, 237.535156 MB of memory in use. ENERGY: 4111600 3888.2287 20608.2057 14509.1818 237.3260 -203180.6009 2540.8113 0.0000 0.0000 51819.1202 -109577.7271 297.8052 -161396.8473 -109220.7295 298.8231 -82.5447 -60.8430 762932.7203 7.3629 7.4735 PRESSURE: 4111800 -25.5738 -57.349 -70.6249 -57.3493 -233.385 -89.8356 -70.6255 -89.8351 -536.734 GPRESSURE: 4111800 -1.78501 -0.821473 -33.5129 -99.2325 -174.075 -130.656 -70.4277 -102.949 -507.765 PRESSAVG: 4111800 -88.2436 16.3314 -5.94155 16.3313 105.477 -20.2078 -5.94155 -20.2078 -5.76862 GPRESSAVG: 4111800 -88.4237 15.9484 -7.7203 14.882 105.86 -20.9363 -4.15233 -18.9996 -6.03906 TIMING: 4111800 CPU: 12997.8, 0.00317456/step Wall: 12997.8, 0.00317456/step, 0.783235 hours remaining, 237.535156 MB of memory in use. ENERGY: 4111800 3988.1794 20461.4893 14453.4247 244.6441 -203210.7284 2542.2560 0.0000 0.0000 52046.9523 -109473.7827 299.1146 -161520.7349 -109106.2066 298.5379 -265.2309 -227.8750 763371.4067 3.8216 3.7990 PRESSURE: 4112000 155.784 69.4976 43.8018 69.4981 87.0012 214.485 43.802 214.485 149.736 GPRESSURE: 4112000 117.204 103.079 54.6124 58.4479 97.8458 123.2 20.0402 14.5288 240.154 PRESSAVG: 4112000 -36.9786 -45.4367 44.2333 -45.4367 17.3468 37.5056 44.2334 37.5056 24.765 GPRESSAVG: 4112000 -36.2305 -45.1731 45.229 -46.8517 16.6461 37.1748 42.5244 37.7338 24.3024 TIMING: 4112000 CPU: 12998.5, 0.00318609/step Wall: 12998.5, 0.00318609/step, 0.785901 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: 4112000 3959.7181 20404.9357 14452.6493 256.1693 -203578.6056 3157.1643 0.0000 0.0000 51758.7684 -109589.2005 297.4584 -161347.9689 -109240.5111 298.4500 130.8405 151.7343 763128.8643 1.7111 1.5727 PRESSURE: 4112200 -222.364 -21.0097 115.091 -21.0102 34.1995 -49.4502 115.09 -49.451 2.19779 GPRESSURE: 4112200 -131.013 -79.5109 170.756 -72.3073 15.8067 -30.0111 -41.97 -86.0206 1.6894 PRESSAVG: 4112200 -86.6861 -34.9333 18.6529 -34.9333 89.8503 1.77431 18.6529 1.77433 -9.52429 GPRESSAVG: 4112200 -87.7332 -35.1487 19.7965 -32.1871 91.2408 2.94407 18.0429 1.82435 -10.082 TIMING: 4112200 CPU: 12999.1, 0.00317179/step Wall: 12999.1, 0.00317179/step, 0.782198 hours remaining, 237.535156 MB of memory in use. ENERGY: 4112200 3999.8529 20661.4591 14483.5783 240.7352 -202813.5937 2368.7562 0.0000 0.0000 51451.5879 -109607.6241 295.6930 -161059.2120 -109253.2517 298.3700 -61.9888 -37.8390 765333.7099 -2.1200 -2.1915 LDB: ============= START OF LOAD BALANCING ============== 13011.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13011.6 LDB: =============== DONE WITH MIGRATION ================ 13011.6 LDB: ============= START OF LOAD BALANCING ============== 13012 LDB: Largest compute 7067 load 0.032423 is 16.6% of average load 0.195682 LDB: Average compute 0.004388 is 2.2% of average load 0.195682 LDB: TIME 13012 LOAD: AVG 0.195682 MAX 0.213534 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 13012 LOAD: AVG 0.195682 MAX 0.213534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: TIME 13012 LOAD: AVG 0.195682 MAX 0.213534 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.121 MB LDB: ============== END OF LOAD BALANCING =============== 13012 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13012 PRESSURE: 4112400 -15.093 -236.652 -2.31033 -236.652 -284.099 -131.794 -2.31017 -131.794 5.86922 GPRESSURE: 4112400 37.4651 -268.453 34.8134 -258.091 -277.909 -149.593 162.425 -115.362 26.1089 PRESSAVG: 4112400 -72.2184 -59.4937 15.8857 -59.4937 35.1626 -17.9943 15.8857 -17.9943 0.0443155 GPRESSAVG: 4112400 -71.0627 -59.2716 16.8561 -62.6657 33.4031 -18.1571 16.6484 -15.4191 0.258992 TIMING: 4112400 CPU: 12999.8, 0.00322545/step Wall: 12999.8, 0.00322545/step, 0.795252 hours remaining, 236.957031 MB of memory in use. ENERGY: 4112400 4007.1319 20616.5498 14439.9986 255.5364 -203554.6195 2536.6897 0.0000 0.0000 52130.5098 -109568.2034 299.5948 -161698.7131 -109211.8095 298.7106 -97.7743 -71.4449 762758.5390 -12.3371 -12.4669 PRESSURE: 4112600 -96.898 -158.996 25.483 -158.995 -126.541 205.093 25.4817 205.093 163.152 GPRESSURE: 4112600 -34.7655 -75.5326 44.7888 -89.4967 -31.8043 218.557 -40.5296 214.191 92.8399 PRESSAVG: 4112600 -34.6348 -49.2892 -12.8124 -49.2892 32.2122 -20.6785 -12.8124 -20.6785 -9.36237 GPRESSAVG: 4112600 -36.0278 -50.1802 -12.7083 -46.2965 33.0737 -20.1109 -14.1531 -22.8499 -8.97689 TIMING: 4112600 CPU: 13000.4, 0.0031567/step Wall: 13000.4, 0.0031567/step, 0.778127 hours remaining, 237.160156 MB of memory in use. ENERGY: 4112600 3964.4386 20397.3953 14491.7128 254.4095 -203136.1672 2350.7546 0.0000 0.0000 52081.3719 -109596.0845 299.3124 -161677.4564 -109227.4728 298.7984 -20.0956 8.7567 763021.2332 -3.9283 -3.9770 PRESSURE: 4112800 -521.937 -189.518 19.6377 -189.518 147.612 -68.0184 19.6376 -68.0181 -119.872 GPRESSURE: 4112800 -410.089 -238.574 -31.9269 -154.641 247.712 26.2378 1.11141 -164.671 -238.614 PRESSAVG: 4112800 -39.331 -21.3895 -8.99548 -21.3896 44.3971 62.5723 -8.99542 62.5724 6.53907 GPRESSAVG: 4112800 -38.0139 -23.159 -9.18366 -20.6108 43.7503 63.3649 -9.20267 60.3969 6.22366 TIMING: 4112800 CPU: 13001, 0.00315475/step Wall: 13001, 0.00315475/step, 0.777471 hours remaining, 237.171875 MB of memory in use. ENERGY: 4112800 3947.0897 20590.4975 14509.2086 261.9974 -203221.4843 2612.7327 0.0000 0.0000 51761.0277 -109538.9308 297.4713 -161299.9585 -109180.2956 298.5722 -164.7320 -133.6638 764789.9048 3.8684 3.9867 PRESSURE: 4113000 68.4543 10.7442 57.1666 10.7448 108.248 -86.2345 57.1661 -86.2351 288.017 GPRESSURE: 4113000 -18.3182 -67.3935 81.1583 29.0908 220.326 -68.1218 137.607 55.851 356.547 PRESSAVG: 4113000 -93.5977 -9.36158 -56.092 -9.36161 49.7474 6.84776 -56.092 6.84776 23.2834 GPRESSAVG: 4113000 -93.3827 -7.40566 -57.5741 -12.0923 49.8445 5.29567 -54.9271 8.47578 23.3587 TIMING: 4113000 CPU: 13001.6, 0.00316267/step Wall: 13001.6, 0.00316267/step, 0.779246 hours remaining, 237.171875 MB of memory in use. ENERGY: 4113000 4008.7425 20324.4247 14497.4341 241.6263 -203736.0492 2862.0933 0.0000 0.0000 52284.2248 -109517.5035 300.4782 -161801.7283 -109149.1330 299.0429 154.9066 186.1849 763018.8300 -6.8556 -6.7265 PRESSURE: 4113200 -61.4083 -156.27 177.062 -156.27 217.505 -147.829 177.063 -147.828 77.1918 GPRESSURE: 4113200 36.2347 -142.321 177.898 -123.992 238.992 -111.579 60.4312 -116.776 42.6924 PRESSAVG: 4113200 -12.0368 -46.5185 50.9932 -46.5185 43.1755 12.1364 50.9932 12.1365 17.7089 GPRESSAVG: 4113200 -12.903 -47.1919 52.0488 -45.2893 43.7357 11.7306 50.1339 15.4441 18.2925 TIMING: 4113200 CPU: 13002.3, 0.00315855/step Wall: 13002.3, 0.00315855/step, 0.778057 hours remaining, 237.171875 MB of memory in use. ENERGY: 4113200 3954.2961 20299.0360 14428.5760 275.1563 -203633.7190 2833.2895 0.0000 0.0000 52182.4420 -109660.9231 299.8932 -161843.3651 -109290.3121 298.5970 77.7630 105.9731 761180.5860 16.2825 16.3751 PRESSURE: 4113400 -349.842 -129.324 -31.9708 -129.324 119.429 -150.05 -31.9715 -150.051 -414.242 GPRESSURE: 4113400 -273.672 -148.371 -3.86386 -27.0454 51.5184 -108.683 -192.691 -112.1 -355.33 PRESSAVG: 4113400 -10.1355 -7.63302 -6.68691 -7.63303 4.15534 16.8745 -6.68692 16.8746 -15.0011 GPRESSAVG: 4113400 -9.24818 -5.84078 -7.14861 -7.92967 3.26435 18.5222 -5.46252 12.8173 -15.5395 TIMING: 4113400 CPU: 13002.9, 0.0031433/step Wall: 13002.9, 0.0031433/step, 0.774126 hours remaining, 237.171875 MB of memory in use. ENERGY: 4113400 4107.4329 20417.9656 14466.9835 256.5945 -203636.1022 2901.0017 0.0000 0.0000 51786.3817 -109699.7423 297.6170 -161486.1240 -109338.8009 298.6733 -214.8850 -192.4947 763218.5505 -6.9937 -7.1744 PRESSURE: 4113600 -386.611 -28.3018 -35.8395 -28.3021 -168.638 172.974 -35.8389 172.973 -317.27 GPRESSURE: 4113600 -280.064 -32.8371 29.1955 14.9175 -164.592 34.3436 -21.907 206.173 -366.031 PRESSAVG: 4113600 -58.3626 -76.879 35.7179 -76.879 49.2585 -12.8678 35.7179 -12.8678 9.90211 GPRESSAVG: 4113600 -59.4518 -78.2768 35.9793 -73.9763 50.183 -12.4213 32.544 -11.1088 9.55291 TIMING: 4113600 CPU: 13003.5, 0.00317417/step Wall: 13003.5, 0.00317417/step, 0.781552 hours remaining, 237.171875 MB of memory in use. ENERGY: 4113600 3998.7525 20406.1617 14502.3324 244.0077 -203508.6995 2663.9847 0.0000 0.0000 51989.2794 -109704.1812 298.7831 -161693.4605 -109342.6978 297.9533 -290.8396 -270.2290 763946.0053 0.2660 0.0947 PRESSURE: 4113800 -21.8302 209.164 -20.3422 209.164 48.1866 -23.4046 -20.3422 -23.4055 242.014 GPRESSURE: 4113800 -9.25986 119.398 -99.7717 234.935 71.4128 -76.3014 8.14045 114.426 291.962 PRESSAVG: 4113800 -71.2122 12.6648 -22.9792 12.6648 77.9758 5.27647 -22.9792 5.27658 10.183 GPRESSAVG: 4113800 -70.808 9.76901 -23.7889 11.7619 77.7351 2.28353 -19.9156 4.90808 10.2042 TIMING: 4113800 CPU: 13004.2, 0.0031819/step Wall: 13004.2, 0.0031819/step, 0.783279 hours remaining, 237.171875 MB of memory in use. ENERGY: 4113800 3984.7361 20408.9562 14507.5685 255.7392 -203654.8069 2901.6578 0.0000 0.0000 51921.6908 -109674.4582 298.3947 -161596.1490 -109310.5350 298.2332 89.4567 118.0382 761867.2482 5.6489 5.7104 PRESSURE: 4114000 -43.243 -49.2856 -136.861 -49.2861 -142.481 -65.7906 -136.861 -65.7905 0.135664 GPRESSURE: 4114000 37.6637 -51.2543 -96.2417 -26.0388 -150.857 -77.3895 -163.925 -2.9688 17.4506 PRESSAVG: 4114000 -37.1872 -6.79885 -22.875 -6.79883 17.0944 46.1092 -22.875 46.1092 -11.2001 GPRESSAVG: 4114000 -36.2205 -1.17273 -22.8342 -9.48254 16.9972 47.6955 -24.7628 45.1316 -12.0091 TIMING: 4114000 CPU: 13004.8, 0.00318937/step Wall: 13004.8, 0.00318937/step, 0.784939 hours remaining, 237.171875 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: 4114000 3933.1000 20526.5038 14450.4410 243.4208 -203497.2336 2662.5677 0.0000 0.0000 51773.1597 -109908.0407 297.5411 -161681.2004 -109555.7518 297.9072 -61.8626 -31.9143 762866.3655 -10.4310 -10.4108 PRESSURE: 4114200 12.6823 -107.846 -50.1652 -107.846 137.033 50.5674 -50.1652 50.5667 -241.521 GPRESSURE: 4114200 -18.3455 -59.3169 89.5121 -193.798 199.322 114.139 112.515 57.9037 -206.658 PRESSAVG: 4114200 -32.5492 -48.4567 -8.18079 -48.4568 33.135 -29.0897 -8.18073 -29.0896 -9.46662 GPRESSAVG: 4114200 -34.6716 -50.0664 -6.64428 -47.1922 34.419 -27.9477 -7.41551 -30.4835 -8.9208 TIMING: 4114200 CPU: 13005.4, 0.00315951/step Wall: 13005.4, 0.00315951/step, 0.777414 hours remaining, 237.171875 MB of memory in use. ENERGY: 4114200 3948.4858 20482.3194 14489.1786 251.6454 -203292.7170 2410.8264 0.0000 0.0000 52142.1648 -109568.0965 299.6617 -161710.2613 -109205.5641 298.6349 -30.6016 -8.5605 761336.3145 -2.9603 -3.0578 PRESSURE: 4114400 -215.552 133.599 97.0348 133.602 119.915 123.136 97.035 123.136 220.376 GPRESSURE: 4114400 -111.561 25.6627 73.4618 173.378 150.537 54.9971 126.778 184.671 174.225 PRESSAVG: 4114400 8.4691 -5.93346 -11.4633 -5.93348 18.2403 -8.75081 -11.4634 -8.75077 10.9366 GPRESSAVG: 4114400 9.75714 -5.29773 -12.0309 -5.17208 17.3432 -8.92401 -11.1743 -8.1649 10.8351 TIMING: 4114400 CPU: 13006.1, 0.00317362/step Wall: 13006.1, 0.00317362/step, 0.78071 hours remaining, 237.171875 MB of memory in use. ENERGY: 4114400 3999.4559 20483.1156 14439.7536 233.8556 -203589.6240 2494.9215 0.0000 0.0000 52330.6013 -109607.9204 300.7447 -161938.5217 -109250.2935 299.0331 41.5795 71.0671 760465.1869 12.5487 12.6451 PRESSURE: 4114600 -214.764 -160.76 -145.632 -160.76 -81.8395 -45.0565 -145.631 -45.0558 -133.442 GPRESSURE: 4114600 -115.726 -177.089 -66.5088 -213.027 -42.996 -74.1851 -174.452 15.1938 -159.204 PRESSAVG: 4114600 -11.2507 -3.98621 4.27524 -3.98625 29.7993 19.3211 4.27521 19.3211 10.5747 GPRESSAVG: 4114600 -11.4781 -5.12033 4.37266 -4.77231 28.6292 19.9138 5.14689 19.0631 12.0121 TIMING: 4114600 CPU: 13006.7, 0.00319241/step Wall: 13006.7, 0.00319241/step, 0.785155 hours remaining, 237.171875 MB of memory in use. ENERGY: 4114600 3968.9357 20455.3144 14406.2543 250.2492 -203348.7123 2619.8135 0.0000 0.0000 52057.9040 -109590.2410 299.1775 -161648.1451 -109232.3179 298.7018 -143.3484 -105.9751 761357.1238 9.7078 9.7211 PRESSURE: 4114800 -328.81 -28.2838 -213.349 -28.2836 -8.66275 67.6322 -213.35 67.6331 -239.561 GPRESSURE: 4114800 -243.544 -114.932 -76.393 14.7793 34.3199 61.7674 -135.17 188.726 -298.1 PRESSAVG: 4114800 14.8451 -8.66463 32.4841 -8.6646 -28.1094 13.319 32.484 13.3191 -13.9881 GPRESSAVG: 4114800 15.3295 -9.3897 32.3821 -7.57441 -27.414 11.4585 31.963 14.769 -14.7835 TIMING: 4114800 CPU: 13007.4, 0.00316072/step Wall: 13007.4, 0.00316072/step, 0.777186 hours remaining, 237.375000 MB of memory in use. ENERGY: 4114800 3997.6639 20404.4720 14427.5972 242.9263 -203116.7317 2407.6934 0.0000 0.0000 52062.9439 -109573.4351 299.2065 -161636.3790 -109203.5759 298.6083 -192.3445 -169.1081 762221.1333 -9.0841 -8.9560 PRESSURE: 4115000 25.86 -89.639 -236.849 -89.6389 -239.661 41.4271 -236.849 41.4269 -42.1605 GPRESSURE: 4115000 43.0575 -35.5258 -216.249 18.7069 -111.943 44.1174 -331.376 117.167 -97.8606 PRESSAVG: 4115000 -71.966 -68.5536 -19.3936 -68.5536 55.6092 38.7892 -19.3935 38.7891 14.1706 GPRESSAVG: 4115000 -72.4755 -67.0572 -20.624 -68.1417 55.8556 39.65 -19.5785 37.8049 14.2433 TIMING: 4115000 CPU: 13008, 0.00315369/step Wall: 13008, 0.00315369/step, 0.775283 hours remaining, 237.375000 MB of memory in use. ENERGY: 4115000 4051.5637 20514.1358 14481.6498 236.2085 -203167.1558 2316.3235 0.0000 0.0000 51961.1942 -109606.0802 298.6217 -161567.2744 -109244.5186 298.5631 -85.3205 -55.5821 759434.5567 -0.7287 -0.7922 PRESSURE: 4115200 -94.5258 -149.314 -115.793 -149.314 191.066 36.3775 -115.791 36.3762 -155.255 GPRESSURE: 4115200 -170.387 -254.006 -96.8367 -73.8387 348.935 81.4583 -67.8515 -21.1354 -156.024 PRESSAVG: 4115200 -3.55195 -87.3118 -57.7784 -87.3118 -0.741104 2.75245 -57.7783 2.75247 32.3039 GPRESSAVG: 4115200 -3.53525 -89.5229 -57.3448 -86.6698 -0.021459 1.42955 -56.8286 2.17582 31.8762 TIMING: 4115200 CPU: 13008.6, 0.00319114/step Wall: 13008.6, 0.00319114/step, 0.784311 hours remaining, 237.375000 MB of memory in use. ENERGY: 4115200 3949.1442 20463.7552 14438.2403 248.0091 -203482.9244 2728.3905 0.0000 0.0000 52372.4125 -109282.9726 300.9850 -161655.3851 -108921.2297 299.2549 -19.5717 7.5081 761359.3671 9.3370 9.4398 PRESSURE: 4115400 -332.316 72.3654 100.169 72.3647 -133.449 -14.7168 100.169 -14.7165 -382.46 GPRESSURE: 4115400 -256.742 -4.41867 91.4394 -6.05098 -164.272 -92.6368 79.2925 72.0934 -334.622 PRESSAVG: 4115400 -47.0095 -118.602 -71.7099 -118.602 40.1722 18.8901 -71.71 18.8901 2.48529 GPRESSAVG: 4115400 -46.7197 -119.654 -70.8766 -120.688 40.9356 20.2599 -72.6138 18.7723 1.75612 TIMING: 4115400 CPU: 13009.3, 0.00317578/step Wall: 13009.3, 0.00317578/step, 0.780359 hours remaining, 237.375000 MB of memory in use. ENERGY: 4115400 3958.7590 20459.1544 14430.5227 222.7164 -203109.0787 2312.8504 0.0000 0.0000 52113.9868 -109611.0890 299.4998 -161725.0758 -109245.8380 299.5355 -282.7414 -251.8787 762633.8879 -1.4507 -1.3427 PRESSURE: 4115600 -125.38 -348.011 -228.812 -348.01 -329.282 126.609 -228.813 126.609 -517.169 GPRESSURE: 4115600 -165.317 -275.498 -291.963 -293.522 -241.571 39.5003 -324.132 117.11 -459.429 PRESSAVG: 4115600 -46.279 -78.553 -2.3433 -78.553 29.6845 -16.6109 -2.34338 -16.6109 -2.39394 GPRESSAVG: 4115600 -45.3638 -77.2515 -2.21131 -78.0043 29.0199 -17.8212 -2.67929 -16.4582 -2.11652 TIMING: 4115600 CPU: 13009.9, 0.00316894/step Wall: 13009.9, 0.00316894/step, 0.778503 hours remaining, 237.375000 MB of memory in use. ENERGY: 4115600 3994.2487 20544.4915 14462.6036 222.2145 -203185.3756 2438.8753 0.0000 0.0000 51930.7534 -109592.1886 298.4468 -161522.9420 -109236.7942 299.1973 -323.9438 -288.7723 762872.5940 -6.3295 -6.1535 PRESSURE: 4115800 -355.188 -77.9252 42.9829 -77.9251 -152.543 1.75786 42.9835 1.75713 224.861 GPRESSURE: 4115800 -250.34 -51.0241 50.0395 -38.3152 -186.929 17.5781 64.0946 3.7544 227.825 PRESSAVG: 4115800 -22.6686 -23.5387 -45.3835 -23.5387 -15.5586 -6.40015 -45.3835 -6.40014 -14.5393 GPRESSAVG: 4115800 -22.0124 -24.8251 -44.6743 -22.5099 -16.7764 -5.00981 -44.373 -7.53706 -14.0012 TIMING: 4115800 CPU: 13010.5, 0.00315085/step Wall: 13010.5, 0.00315085/step, 0.773883 hours remaining, 237.375000 MB of memory in use. ENERGY: 4115800 4000.5681 20404.9988 14532.0652 251.8758 -203229.8929 2355.0653 0.0000 0.0000 52034.1614 -109651.1585 299.0410 -161685.3199 -109292.1108 298.9781 -94.2901 -69.8147 761070.5572 -17.5888 -17.5967 PRESSURE: 4116000 227.024 -78.1111 63.1488 -78.1117 212.129 57.294 63.15 57.2933 -412.261 GPRESSURE: 4116000 238.225 -118.561 126.518 -139.167 267.612 -45.2008 -38.942 76.6796 -418.793 PRESSAVG: 4116000 10.3071 -78.8862 -29.8855 -78.8863 28.6787 -6.3587 -29.8856 -6.35861 14.7829 GPRESSAVG: 4116000 9.31834 -76.554 -30.4691 -80.1446 29.1082 -7.81436 -31.3228 -6.05497 14.8451 TIMING: 4116000 CPU: 13011.2, 0.00316535/step Wall: 13011.2, 0.00316536/step, 0.777271 hours remaining, 237.375000 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: 4116000 3980.5831 20643.0346 14529.8579 251.5584 -203643.6876 2612.6746 0.0000 0.0000 52019.2539 -109606.7250 298.9554 -161625.9789 -109243.9590 299.2266 8.9638 29.0147 760600.7001 17.9229 17.7572 PRESSURE: 4116200 -164 67.7342 38.5668 67.735 -183.599 -117.788 38.5673 -117.788 -82.7205 GPRESSURE: 4116200 -101.61 66.5255 -11.0426 -32.4618 -105.017 21.4455 35.3334 21.9125 -115.784 PRESSAVG: 4116200 -4.89041 -40.3886 -43.9348 -40.3886 20.8537 -39.3562 -43.9348 -39.3562 34.5098 GPRESSAVG: 4116200 -3.17503 -40.5361 -43.461 -40.8306 20.0645 -38.877 -44.8533 -35.5756 34.0146 TIMING: 4116200 CPU: 13011.8, 0.00319815/step Wall: 13011.8, 0.00319815/step, 0.785146 hours remaining, 237.375000 MB of memory in use. ENERGY: 4116200 4028.4755 20311.1403 14483.6274 235.8484 -203168.6265 2374.8403 0.0000 0.0000 52131.8120 -109602.8826 299.6022 -161734.6946 -109239.1900 298.7301 -143.4400 -107.4700 762400.5005 16.8244 16.9680 LDB: ============= START OF LOAD BALANCING ============== 13024.3 LDB: ============== END OF LOAD BALANCING =============== 13024.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13024.3 LDB: ============= START OF LOAD BALANCING ============== 13024.7 LDB: Largest compute 7066 load 0.033327 is 17.0% of average load 0.195643 LDB: Average compute 0.004362 is 2.2% of average load 0.195643 LDB: TIME 13024.7 LOAD: AVG 0.195643 MAX 0.218709 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.645 MB LDB: TIME 13024.7 LOAD: AVG 0.195643 MAX 0.218709 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: TIME 13024.7 LOAD: AVG 0.195643 MAX 0.216579 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.645 MB LDB: ============== END OF LOAD BALANCING =============== 13024.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13024.7 PRESSURE: 4116400 -271.48 -100.846 -122.059 -100.845 -393.053 -16.7837 -122.058 -16.7837 -344.675 GPRESSURE: 4116400 -225.247 -57.5588 -90.8053 -204.011 -380.544 3.31853 -118.22 81.6365 -314.019 PRESSAVG: 4116400 13.5214 -62.1823 -45.3349 -62.1823 -32.5694 -27.2332 -45.335 -27.2332 -5.53312 GPRESSAVG: 4116400 12.8317 -62.4783 -46.4221 -62.5454 -32.2827 -26.2461 -44.5189 -29.9978 -4.60807 TIMING: 4116400 CPU: 13012.4, 0.00325217/step Wall: 13012.4, 0.00325217/step, 0.798228 hours remaining, 236.695312 MB of memory in use. ENERGY: 4116400 3949.4302 20701.0317 14449.3715 240.4561 -203007.7916 2238.5057 0.0000 0.0000 52200.1913 -109228.8052 299.9952 -161428.9965 -108877.6400 299.1217 -336.4026 -306.6033 763464.7093 -8.1937 -8.0197 PRESSURE: 4116600 148.038 91.1301 -151.097 91.13 153.62 -110.188 -151.097 -110.187 231.749 GPRESSURE: 4116600 167.344 83.0147 -85.4842 -27.6999 196.782 -153.469 -136.443 0.523555 244.329 PRESSAVG: 4116600 -44.8654 -12.4135 -64.4146 -12.4134 23.7612 50.7874 -64.4146 50.7873 5.31852 GPRESSAVG: 4116600 -46.1313 -10.9466 -63.4207 -10.7122 24.7448 51.0164 -65.1378 51.462 5.49938 TIMING: 4116600 CPU: 13013.1, 0.00317967/step Wall: 13013.1, 0.00317967/step, 0.780256 hours remaining, 236.765625 MB of memory in use. ENERGY: 4116600 4039.2662 20582.8671 14564.5908 267.0779 -203592.9447 2921.0510 0.0000 0.0000 52092.1604 -109125.9311 299.3744 -161218.0915 -108767.1786 299.8112 177.8023 202.8181 762544.9375 -5.2619 -5.2957 PRESSURE: 4116800 -167.289 81.7312 113.447 81.731 135.435 20.4513 113.448 20.4501 -482.336 GPRESSURE: 4116800 -188.342 34.9711 53.5943 1.94013 152.51 45.8021 129.307 -61.9493 -389.446 PRESSAVG: 4116800 22.298 -19.1748 14.0851 -19.1749 -13.3821 35.0731 14.0852 35.0731 -7.70794 GPRESSAVG: 4116800 22.283 -20.5647 12.4324 -19.6217 -13.2776 34.204 13.884 33.5706 -7.86273 TIMING: 4116800 CPU: 13013.7, 0.00320222/step Wall: 13013.7, 0.00320222/step, 0.78561 hours remaining, 236.835938 MB of memory in use. ENERGY: 4116800 4000.4256 20503.8551 14585.8719 246.8042 -203147.4549 2537.5959 0.0000 0.0000 52072.1778 -109200.7244 299.2595 -161272.9022 -108830.3300 299.8785 -171.3966 -141.7595 763324.7438 0.4027 0.3809 PRESSURE: 4117000 -5.35747 143.978 -8.50279 143.978 90.4477 -43.284 -8.50242 -43.2828 7.50701 GPRESSURE: 4117000 41.246 131.142 45.1261 141.646 133.174 -66.6933 -37.6847 15.7902 14.2433 PRESSAVG: 4117000 -10.3554 -8.15483 -32.09 -8.15482 14.3835 35.5362 -32.09 35.5361 24.377 GPRESSAVG: 4117000 -9.25475 -7.94032 -30.7728 -9.92042 14.3375 35.1632 -32.3993 36.5472 23.3705 TIMING: 4117000 CPU: 13014.4, 0.00320201/step Wall: 13014.4, 0.00320201/step, 0.785383 hours remaining, 237.039062 MB of memory in use. ENERGY: 4117000 3963.9921 20640.5586 14506.8874 253.7644 -203106.2158 2488.3077 0.0000 0.0000 52039.9869 -109212.7188 299.0745 -161252.7057 -108853.7555 299.4240 30.8657 62.8878 762842.5507 9.4684 9.4844 PRESSURE: 4117200 143.539 69.1012 -174.757 69.1007 262 -7.94922 -174.757 -7.94894 -65.1689 GPRESSURE: 4117200 247.434 154.76 -124.673 135.482 137.615 -85.3406 -140.668 -84.8871 30.6964 PRESSAVG: 4117200 -3.36751 21.5758 -39.3854 21.5758 40.9863 -8.31447 -39.3854 -8.31439 -1.36113 GPRESSAVG: 4117200 -3.04864 21.4246 -40.65 23.4839 40.5816 -8.36051 -37.7357 -9.18783 -1.7061 TIMING: 4117200 CPU: 13015, 0.00318354/step Wall: 13015, 0.00318354/step, 0.780675 hours remaining, 237.039062 MB of memory in use. ENERGY: 4117200 3929.7414 20599.6069 14454.3319 234.9968 -203708.0493 2870.4115 0.0000 0.0000 52167.3907 -109451.5701 299.8067 -161618.9609 -109086.3649 299.5002 113.4568 138.5819 762018.6349 12.0859 11.9423 PRESSURE: 4117400 -38.6325 -85.7893 -22.0034 -85.789 -76.1239 193.187 -22.0031 193.186 -183.842 GPRESSURE: 4117400 -68.1721 -65.731 -10.6929 -97.4178 -63.1218 117.045 49.9933 274.897 -81.1688 PRESSAVG: 4117400 31.8101 4.25385 -20.2345 4.25375 -40.0456 37.5152 -20.2345 37.5151 6.48157 GPRESSAVG: 4117400 30.3526 1.08073 -20.8156 4.13389 -40.4379 37.5959 -19.4046 38.0226 8.48158 TIMING: 4117400 CPU: 13015.6, 0.00319304/step Wall: 13015.6, 0.00319304/step, 0.782826 hours remaining, 237.039062 MB of memory in use. ENERGY: 4117400 3965.9403 20442.1538 14486.3351 252.3870 -202957.7363 2393.9389 0.0000 0.0000 52239.8679 -109177.1132 300.2232 -161416.9812 -108815.3673 299.5387 -99.5327 -70.8209 764537.0959 -0.5847 -0.5346 PRESSURE: 4117600 110.029 83.5734 -56.641 83.5745 165.669 -84.4396 -56.6417 -84.441 35.8973 GPRESSURE: 4117600 162.233 98.191 -106.344 27.124 210.72 -86.9554 1.1715 -230.363 17.0327 PRESSAVG: 4117600 -47.4807 24.8155 -54.2785 24.8155 38.0219 12.1469 -54.2786 12.1468 22.6365 GPRESSAVG: 4117600 -46.5273 27.4061 -53.7891 24.0085 38.7486 12.7679 -54.8254 11.7071 20.8093 TIMING: 4117600 CPU: 13016.3, 0.00318879/step Wall: 13016.3, 0.00318879/step, 0.781607 hours remaining, 237.039062 MB of memory in use. ENERGY: 4117600 4027.7498 20528.0079 14565.5168 245.6046 -203338.0836 2782.2551 0.0000 0.0000 52099.3460 -109089.6033 299.4157 -161188.9493 -108725.5497 299.9713 103.8651 129.9950 762887.5994 4.3926 4.3435 PRESSURE: 4117800 -247.396 5.15078 -90.6376 5.15028 -48.3586 -48.8731 -90.6367 -48.8732 -7.92092 GPRESSURE: 4117800 -289.543 31.6947 -69.9963 93.5383 -15.0362 12.3279 -185.84 -69.252 76.7513 PRESSAVG: 4117800 53.3508 -4.65598 -35.1048 -4.65598 -3.37354 -27.9707 -35.1047 -27.9707 -7.27141 GPRESSAVG: 4117800 52.5748 -6.48033 -34.4285 -2.25529 -2.66386 -29.4642 -33.9557 -27.314 -7.2634 TIMING: 4117800 CPU: 13016.9, 0.00318047/step Wall: 13016.9, 0.00318047/step, 0.779392 hours remaining, 237.039062 MB of memory in use. ENERGY: 4117800 3977.1479 20510.5115 14520.9895 248.5007 -203246.5006 2600.6843 0.0000 0.0000 52110.4021 -109278.2646 299.4792 -161388.6667 -108913.7547 299.6203 -101.2251 -75.9426 764096.5969 14.2353 14.2159 PRESSURE: 4118000 239.56 253.024 -63.4194 253.024 -323.843 41.5886 -63.4199 41.5881 -151.279 GPRESSURE: 4118000 268.8 196.003 -22.006 138.58 -279.861 61.9315 -81.9998 150.124 -149.391 PRESSAVG: 4118000 46.6428 -2.78929 -5.8105 -2.78938 -44.8051 31.299 -5.81054 31.299 -0.785932 GPRESSAVG: 4118000 46.8426 -0.317044 -6.78646 -4.26927 -45.9674 33.8696 -9.51193 31.1539 0.405067 TIMING: 4118000 CPU: 13017.6, 0.00320205/step Wall: 13017.6, 0.00320205/step, 0.784503 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: 4118000 3968.1536 20536.2022 14513.4681 249.1073 -203026.3517 2443.4920 0.0000 0.0000 52220.8581 -109095.0703 300.1140 -161315.9284 -108729.4206 299.5743 -78.5204 -53.4842 764332.0958 0.3506 0.4268 PRESSURE: 4118200 6.07471 -123.876 -41.2586 -123.876 -90.1375 21.2794 -41.2578 21.28 67.4094 GPRESSURE: 4118200 32.7964 -116.893 -24.4922 -120.712 -59.8958 20.0581 97.0524 54.7722 79.3462 PRESSAVG: 4118200 17.6424 -17.9703 -30.6867 -17.9703 -37.7475 -30.2296 -30.6867 -30.2296 0.344954 GPRESSAVG: 4118200 17.6745 -19.0317 -27.784 -18.4438 -37.6249 -30.6391 -28.7956 -29.9078 -0.551274 TIMING: 4118200 CPU: 13018.2, 0.00318394/step Wall: 13018.2, 0.00318394/step, 0.779888 hours remaining, 237.039062 MB of memory in use. ENERGY: 4118200 3979.7931 20562.8923 14479.3218 246.6263 -203333.0806 2661.3992 0.0000 0.0000 52073.1065 -109329.9415 299.2649 -161403.0480 -108958.9042 299.3017 -5.5511 17.4156 763024.5571 -6.5867 -6.8339 PRESSURE: 4118400 94.7149 -215.811 173.451 -215.812 110.659 66.5205 173.451 66.5201 -37.2582 GPRESSURE: 4118400 -8.26816 -288.902 77.9085 -205.064 243.29 132.053 103.461 79.3678 4.41668 PRESSAVG: 4118400 -22.4265 -9.91195 54.7544 -9.91192 -9.45168 -11.9175 54.7545 -11.9175 -22.3792 GPRESSAVG: 4118400 -23.6458 -8.74401 51.8914 -9.20421 -8.48103 -11.0773 53.2305 -11.0898 -22.2755 TIMING: 4118400 CPU: 13018.8, 0.00318137/step Wall: 13018.8, 0.00318137/step, 0.779083 hours remaining, 237.039062 MB of memory in use. ENERGY: 4118400 4008.6126 20508.3107 14468.3094 237.1424 -203052.5442 2706.4451 0.0000 0.0000 52129.2035 -108994.5205 299.5872 -161123.7240 -108634.6898 299.9708 56.0385 79.8127 762358.8504 -18.0858 -18.1341 PRESSURE: 4118600 -289.178 -20.4205 -234.714 -20.4206 186.95 80.7015 -234.714 80.701 -239.935 GPRESSURE: 4118600 -174.299 -47.1356 -176.53 116.724 167.881 72.5181 -110.41 9.2065 -251.203 PRESSAVG: 4118600 -9.48147 -43.9295 23.2814 -43.9295 22.8486 2.71587 23.2814 2.71592 1.91468 GPRESSAVG: 4118600 -8.01407 -42.9453 23.0682 -44.3095 22.0934 2.85352 27.1461 0.904774 0.822523 TIMING: 4118600 CPU: 13019.5, 0.00317161/step Wall: 13019.5, 0.00317161/step, 0.776517 hours remaining, 237.039062 MB of memory in use. ENERGY: 4118600 3996.0010 20608.9945 14472.8722 238.0878 -203067.3417 2533.7529 0.0000 0.0000 52001.0195 -109216.6137 298.8506 -161217.6332 -108850.5453 299.3523 -114.0543 -85.8737 762554.7049 5.0939 4.9673 PRESSURE: 4118800 465.559 -135.827 51.3983 -135.827 -17.8584 -11.4662 51.3984 -11.4644 -248.017 GPRESSURE: 4118800 420.92 -77.444 -26.1795 -180.472 49.9466 3.51484 36.8948 -5.6106 -208.925 PRESSAVG: 4118800 6.85032 -1.78144 -13.7627 -1.78139 -6.16672 -4.80065 -13.7626 -4.80063 -24.9307 GPRESSAVG: 4118800 5.57603 -3.77332 -14.1903 -1.00069 -5.28 -4.68282 -14.3125 -4.037 -24.464 TIMING: 4118800 CPU: 13020.1, 0.0031615/step Wall: 13020.1, 0.0031615/step, 0.773864 hours remaining, 237.039062 MB of memory in use. ENERGY: 4118800 3958.0266 20638.0679 14479.3002 243.5730 -203286.5895 2653.2958 0.0000 0.0000 52094.2116 -109220.1143 299.3861 -161314.3259 -108861.2730 299.5562 66.5613 87.3141 761920.1910 -8.0824 -8.0560 PRESSURE: 4119000 129.185 149.109 120.181 149.109 -140.676 -31.5263 120.18 -31.5261 -70.6968 GPRESSURE: 4119000 119.25 162.911 118.658 104.245 -120.406 -96.1774 193.762 8.15284 -22.4489 PRESSAVG: 4119000 35.1176 -14.9501 2.06865 -14.9501 31.9263 23.8003 2.06866 23.8003 -16.6167 GPRESSAVG: 4119000 35.1598 -14.8358 2.54864 -15.6472 31.7068 23.0858 1.71091 23.2186 -16.8762 TIMING: 4119000 CPU: 13020.7, 0.00317138/step Wall: 13020.7, 0.00317138/step, 0.776108 hours remaining, 237.039062 MB of memory in use. ENERGY: 4119000 3967.6464 20514.1680 14461.1013 258.4304 -203295.5786 2663.8759 0.0000 0.0000 52273.5206 -109156.8359 300.4166 -161430.3565 -108791.2806 299.4800 -27.3961 -7.8684 762657.2357 16.8091 16.6635 PRESSURE: 4119200 22.5911 42.103 56.2278 42.1018 174.493 13.7073 56.2273 13.7076 -209.995 GPRESSURE: 4119200 81.021 127.925 141.482 -84.2034 149.828 -40.6361 28.2674 85.5311 -166.788 PRESSAVG: 4119200 1.55452 25.7195 22.9577 25.7195 -14.183 -31.7943 22.9578 -31.7943 11.85 GPRESSAVG: 4119200 1.81786 26.252 22.4755 25.0146 -14.3257 -30.8871 23.6461 -32.7764 12.2933 TIMING: 4119200 CPU: 13021.4, 0.00317514/step Wall: 13021.4, 0.00317514/step, 0.776852 hours remaining, 237.039062 MB of memory in use. ENERGY: 4119200 3976.2227 20457.4132 14506.2745 248.1063 -202945.9699 2480.8482 0.0000 0.0000 52178.8565 -109098.2485 299.8726 -161277.1051 -108733.3741 299.8914 -4.3038 21.3536 761563.4156 -0.2595 -0.0715 PRESSURE: 4119400 -239.95 48.2002 54.3616 48.1993 -547.85 83.9432 54.3611 83.9426 -53.4942 GPRESSURE: 4119400 -158.879 9.89281 149.446 47.724 -497.878 32.9084 -29.6755 107.461 -81.5996 PRESSAVG: 4119400 -40.1753 3.03256 24.3179 3.03255 18.0455 8.15319 24.3179 8.15323 -6.19966 GPRESSAVG: 4119400 -39.2702 0.831529 23.742 3.20085 16.958 7.88326 24.587 9.17703 -5.87627 TIMING: 4119400 CPU: 13022, 0.00316813/step Wall: 13022, 0.00316812/step, 0.774959 hours remaining, 237.039062 MB of memory in use. ENERGY: 4119400 3937.5733 20567.6529 14426.1487 238.2851 -203205.5731 2711.6652 0.0000 0.0000 52106.3138 -109217.9340 299.4557 -161324.2477 -108860.3340 299.9248 -280.4315 -246.1187 763401.5529 -9.4432 -9.3962 PRESSURE: 4119600 237.998 -121.063 6.49674 -121.063 -165.33 152.567 6.49691 152.567 40.8395 GPRESSURE: 4119600 261.307 -137.284 -58.5881 -114.862 -91.0217 226.654 34.9326 155.182 20.387 PRESSAVG: 4119600 46.862 -33.0362 -20.6418 -33.0362 -45.7087 11.837 -20.6417 11.837 -32.0891 GPRESSAVG: 4119600 46.1496 -30.5241 -20.245 -33.9971 -44.9327 11.5566 -23.3414 12.3803 -32.5043 TIMING: 4119600 CPU: 13022.6, 0.00317591/step Wall: 13022.6, 0.00317591/step, 0.776687 hours remaining, 237.039062 MB of memory in use. ENERGY: 4119600 3947.1891 20494.7941 14501.4882 256.3504 -203484.1444 2735.9347 0.0000 0.0000 52158.2829 -109390.1050 299.7544 -161548.3879 -109035.0726 299.4761 37.8360 63.5575 763247.1406 -10.3119 -10.4291 PRESSURE: 4119800 -81.3945 69.2295 -282.967 69.2299 -159.203 41.6508 -282.968 41.651 14.992 GPRESSURE: 4119800 -99.2794 59.0461 -212.819 108.28 -87.2261 5.44993 -164.055 58.1378 57.2524 PRESSAVG: 4119800 44.2002 22.9043 -39.7702 22.9043 -43.3939 36.0723 -39.7703 36.0723 -6.78951 GPRESSAVG: 4119800 43.3959 22.4067 -39.4421 24.659 -43.1585 37.3534 -38.0337 34.7196 -6.32634 TIMING: 4119800 CPU: 13023.3, 0.00317227/step Wall: 13023.3, 0.00317227/step, 0.77562 hours remaining, 237.039062 MB of memory in use. ENERGY: 4119800 4043.8664 20728.2381 14460.8582 234.2998 -203117.3481 2498.5803 0.0000 0.0000 51817.0064 -109334.4989 297.7930 -161151.5053 -108984.2002 299.4047 -75.2017 -43.0844 762349.6921 -1.9944 -2.0296 PRESSURE: 4120000 -230.21 36.6269 17.1257 36.6271 -363.575 -10.9509 17.125 -10.9513 138.95 GPRESSURE: 4120000 -218.076 -56.0762 32.9451 21.2929 -347.592 60.5825 -34.2773 -191.198 170.78 PRESSAVG: 4120000 43.2212 17.8948 -92.2286 17.8949 12.6615 -18.9043 -92.2286 -18.9043 -17.5666 GPRESSAVG: 4120000 45.1419 16.3366 -90.087 17.8679 10.9281 -19.6262 -94.2661 -19.1288 -17.9196 TIMING: 4120000 CPU: 13023.9, 0.00319415/step Wall: 13023.9, 0.00319415/step, 0.780793 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: 4120000 4007.0331 20456.5121 14541.2643 251.4873 -203197.8943 2494.2014 0.0000 0.0000 51955.9761 -109491.4201 298.5917 -161447.3962 -109122.3830 299.1942 -151.6115 -131.6294 762395.3437 12.7720 12.7168 PRESSURE: 4120200 190.646 -70.1069 -49.1472 -70.1069 19.9978 -125.963 -49.1465 -125.963 126.505 GPRESSURE: 4120200 221.83 0.116285 -109 19.7718 52.3051 -131.314 -27.1096 -319.708 130.82 PRESSAVG: 4120200 48.238 -47.9054 -66.3088 -47.9054 -82.1459 -5.62751 -66.3088 -5.62744 -4.92434 GPRESSAVG: 4120200 46.8351 -47.1844 -68.544 -49.4289 -80.7426 -7.60502 -63.576 -6.1944 -4.92444 TIMING: 4120200 CPU: 13024.5, 0.00317772/step Wall: 13024.5, 0.00317772/step, 0.776598 hours remaining, 237.039062 MB of memory in use. ENERGY: 4120200 3910.8473 20493.8374 14422.3437 255.3654 -203079.6009 2578.0422 0.0000 0.0000 52249.6866 -109169.4784 300.2797 -161419.1650 -108797.4842 299.5205 112.3828 134.9853 762832.0910 -12.9441 -12.9440 LDB: ============= START OF LOAD BALANCING ============== 13037.1 LDB: ============== END OF LOAD BALANCING =============== 13037.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13037.1 LDB: ============= START OF LOAD BALANCING ============== 13037.4 LDB: Largest compute 7066 load 0.035998 is 18.4% of average load 0.195525 LDB: Average compute 0.004385 is 2.2% of average load 0.195525 LDB: TIME 13037.4 LOAD: AVG 0.195525 MAX 0.216149 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 13037.4 LOAD: AVG 0.195525 MAX 0.216149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 13037.4 LOAD: AVG 0.195525 MAX 0.216149 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 13037.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13037.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4120400 -83.2123 -424.006 22.936 -424.006 214.255 150.14 22.937 150.14 252.177 GPRESSURE: 4120400 -3.61894 -267.408 24.664 -403.308 146.796 130.05 89.0154 136.529 319.892 PRESSAVG: 4120400 37.53 -29.734 -33.9586 -29.734 -33.0294 -36.7935 -33.9586 -36.7936 2.38709 GPRESSAVG: 4120400 37.6336 -29.6641 -34.1393 -27.8505 -33.1058 -35.5034 -35.0306 -36.6216 2.43823 TIMING: 4120400 CPU: 13025.2, 0.00325063/step Wall: 13025.2, 0.00325063/step, 0.794237 hours remaining, 234.882812 MB of memory in use. ENERGY: 4120400 3938.9041 20568.5580 14489.4284 238.7012 -203816.3616 2870.2249 0.0000 0.0000 52251.3298 -109459.2151 300.2891 -161710.5449 -109088.6286 299.8519 127.7399 154.3564 762922.9398 2.2959 2.3220 PRESSURE: 4120600 -195.092 -40.6401 14.0409 -40.6407 -29.5966 -307.314 14.041 -307.314 -726.068 GPRESSURE: 4120600 -188.339 118.562 -8.43713 -28.9409 26.0544 -195.121 -103.229 -223.354 -705.996 PRESSAVG: 4120600 -4.95024 -32.6519 -64.1493 -32.652 10.815 -31.6631 -64.1493 -31.6631 17.1712 GPRESSAVG: 4120600 -4.98221 -31.9229 -63.4583 -34.0828 9.75439 -31.0072 -63.6682 -30.6622 17.6532 TIMING: 4120600 CPU: 13025.8, 0.00318285/step Wall: 13025.8, 0.00318285/step, 0.777499 hours remaining, 234.882812 MB of memory in use. ENERGY: 4120600 4015.2042 20413.8341 14478.3819 238.4316 -203008.3363 2452.6752 0.0000 0.0000 51899.3751 -109510.4343 298.2664 -161409.8093 -109136.9507 299.0611 -316.9189 -289.4268 764004.0661 7.6786 7.4751 PRESSURE: 4120800 230.4 -21.3602 -10.3066 -21.3609 -71.4989 31.3784 -10.3068 31.3782 92.0281 GPRESSURE: 4120800 319.653 -45.0377 -6.62328 -55.0225 -131.075 54.5673 -47.9371 -52.2267 122.611 PRESSAVG: 4120800 62.1159 30.1058 22.8821 30.1058 -87.8297 10.4716 22.8821 10.4716 -0.154062 GPRESSAVG: 4120800 61.8845 28.7804 22.2268 31.3754 -86.6318 9.48962 23.2517 8.78576 -0.432136 TIMING: 4120800 CPU: 13026.5, 0.00317793/step Wall: 13026.5, 0.00317793/step, 0.776122 hours remaining, 234.882812 MB of memory in use. ENERGY: 4120800 3942.6938 20549.9911 14510.5183 238.8675 -203310.5767 2621.7626 0.0000 0.0000 51864.7423 -109582.0012 298.0674 -161446.7435 -109218.2677 299.0258 83.6430 103.7295 762555.7565 -8.6226 -8.3931 PRESSURE: 4121000 -299.72 17.3786 211.779 17.3786 -268.536 77.4097 211.779 77.4106 87.416 GPRESSURE: 4121000 -286.27 -93.2783 134.44 17.374 -164.886 -34.6264 204.494 165.825 63.7588 PRESSAVG: 4121000 -25.4557 -29.6219 -7.9999 -29.6219 -26.5183 -23.6399 -7.99996 -23.6399 6.32406 GPRESSAVG: 4121000 -23.8511 -28.2593 -8.17529 -31.6794 -26.111 -23.5333 -8.6694 -20.982 4.37363 TIMING: 4121000 CPU: 13027.1, 0.00317135/step Wall: 13027.1, 0.00317135/step, 0.774338 hours remaining, 234.937500 MB of memory in use. ENERGY: 4121000 3965.8336 20440.9844 14493.4827 246.8805 -203414.5026 2748.6030 0.0000 0.0000 52019.8598 -109498.8588 298.9588 -161518.7186 -109144.0076 298.9794 -160.2800 -129.1322 762000.9831 -15.2167 -15.1961 PRESSURE: 4121200 77.4047 -6.44844 334.503 -6.44864 -90.4094 264.096 334.502 264.097 -340.104 GPRESSURE: 4121200 103.568 -25.6114 348.929 -111.978 -59.0139 310.039 304.386 164.704 -319.532 PRESSAVG: 4121200 43.5419 -21.4591 -9.49855 -21.4591 -37.8132 29.7038 -9.49849 29.7038 -4.46177 GPRESSAVG: 4121200 42.1186 -22.6046 -8.70627 -20.2413 -37.0035 30.2926 -10.2954 26.6374 -3.7232 TIMING: 4121200 CPU: 13027.7, 0.00318935/step Wall: 13027.7, 0.00318935/step, 0.778556 hours remaining, 234.937500 MB of memory in use. ENERGY: 4121200 3922.0156 20460.9773 14517.4774 252.0077 -203293.1861 2539.8556 0.0000 0.0000 51887.3633 -109713.4892 298.1974 -161600.8524 -109356.3308 299.2338 -117.7030 -91.6593 762194.2964 0.4223 0.4640 PRESSURE: 4121400 -123.525 105.721 -140.119 105.721 231.032 -53.7244 -140.118 -53.7253 -244.435 GPRESSURE: 4121400 -124.827 -15.7935 -58.7412 29.7245 264.788 67.2232 -213.867 -135.436 -181.511 PRESSAVG: 4121400 -1.2849 -28.3493 0.637074 -28.3493 -8.31298 44.3109 0.63712 44.3109 1.18773 GPRESSAVG: 4121400 -1.87642 -28.9826 1.62272 -30.1214 -8.49897 45.1138 3.20262 46.6818 2.54918 TIMING: 4121400 CPU: 13028.4, 0.00320541/step Wall: 13028.4, 0.00320541/step, 0.782299 hours remaining, 234.937500 MB of memory in use. ENERGY: 4121400 3919.1724 20553.5337 14538.2810 235.5687 -203284.7283 2476.9390 0.0000 0.0000 51943.7099 -109617.5237 298.5212 -161561.2336 -109259.8957 298.7740 -45.6425 -13.8497 761743.1735 -2.8034 -2.6087 PRESSURE: 4121600 134.591 -33.3373 120.917 -33.3375 -107.473 -164.639 120.918 -164.64 196.574 GPRESSURE: 4121600 180.294 10.685 76.2737 77.846 -64.4515 -131.12 68.4263 -235.138 161.662 PRESSAVG: 4121600 -64.3322 -9.71025 84.9035 -9.71022 81.481 32.038 84.9035 32.038 4.34568 GPRESSAVG: 4121600 -61.9944 -8.74932 82.6532 -8.20742 81.0473 30.8805 81.0668 30.776 1.91311 TIMING: 4121600 CPU: 13029, 0.00320142/step Wall: 13029, 0.00320142/step, 0.781145 hours remaining, 234.937500 MB of memory in use. ENERGY: 4121600 4006.5629 20567.2507 14592.5275 262.8762 -203658.4299 2699.4563 0.0000 0.0000 51864.7880 -109664.9683 298.0676 -161529.7563 -109309.1458 298.7600 74.5638 92.5014 761138.4858 7.1648 6.9887 PRESSURE: 4121800 -417.379 -106.195 29.0799 -106.194 -179.384 -27.1377 29.08 -27.1376 232.265 GPRESSURE: 4121800 -333.442 -65.1342 21.9027 -129.942 -191.254 2.0209 57.6286 40.2429 236.259 PRESSAVG: 4121800 -9.65725 43.9597 -14.4435 43.9598 -6.13059 -35.4457 -14.4435 -35.4458 -0.152122 GPRESSAVG: 4121800 -10.9945 43.09 -12.2377 43.3174 -6.35669 -34.8941 -13.1586 -34.6791 1.8541 TIMING: 4121800 CPU: 13029.7, 0.00320407/step Wall: 13029.7, 0.00320407/step, 0.781615 hours remaining, 234.937500 MB of memory in use. ENERGY: 4121800 3996.4373 20589.4936 14484.2663 227.0163 -203393.2849 2449.3288 0.0000 0.0000 51904.1740 -109742.5685 298.2940 -161646.7425 -109374.7015 298.3299 -121.4993 -96.1457 760397.9928 -5.3133 -5.1657 PRESSURE: 4122000 -426.387 54.4159 -166.085 54.4162 -120.13 81.4528 -166.084 81.4535 163.004 GPRESSURE: 4122000 -313.895 -30.623 -179.409 50.543 -157.032 -43.623 -147.987 26.8026 149.073 PRESSAVG: 4122000 47.2653 18.4256 21.6967 18.4256 4.43157 -10.4206 21.6967 -10.4206 -4.14057 GPRESSAVG: 4122000 47.2595 17.7941 20.428 19.3167 4.69732 -11.8424 23.7445 -9.85092 -4.44895 TIMING: 4122000 CPU: 13030.3, 0.00322133/step Wall: 13030.3, 0.00322133/step, 0.785647 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: 4122000 3977.8561 20492.4973 14533.7816 257.5038 -203211.9661 2332.8983 0.0000 0.0000 51882.1244 -109735.3047 298.1673 -161617.4291 -109374.2444 298.8590 -127.8377 -107.2850 761234.3269 15.8521 15.8360 PRESSURE: 4122200 -160.807 -36.7548 19.4148 -36.7543 -189.537 187.182 19.4146 187.181 -136.626 GPRESSURE: 4122200 -235.982 -68.2005 74.5623 -97.9468 -92.3176 167.035 -71.4279 93.0717 -76.878 PRESSAVG: 4122200 -7.52465 16.2494 4.31261 16.2494 23.5039 -13.4939 4.31268 -13.4939 5.93694 GPRESSAVG: 4122200 -7.77887 15.7221 5.44751 15.8308 24.1616 -11.6858 3.51792 -15.4572 5.29048 TIMING: 4122200 CPU: 13030.9, 0.00321658/step Wall: 13030.9, 0.00321658/step, 0.784309 hours remaining, 234.972656 MB of memory in use. ENERGY: 4122200 3931.4364 20424.3753 14575.0036 254.1256 -203536.8598 2647.3125 0.0000 0.0000 51907.3337 -109797.2728 298.3122 -161704.6065 -109437.3749 298.5192 -162.3237 -135.0594 764236.5227 7.3054 7.2244 PRESSURE: 4122400 -391.39 -95.9368 135.829 -95.9377 -305.162 135.334 135.829 135.334 -13.7448 GPRESSURE: 4122400 -407.804 -129.852 106.047 71.5495 -267.665 77.7517 67.3281 169.369 44.7055 PRESSAVG: 4122400 -33.3697 -24.5772 47.975 -24.5772 -2.75809 -2.84712 47.975 -2.84719 -21.1345 GPRESSAVG: 4122400 -32.978 -23.4456 48.0529 -23.3455 -3.46045 -3.13817 45.0423 -2.59156 -20.6931 TIMING: 4122400 CPU: 13031.6, 0.00320602/step Wall: 13031.6, 0.00320602/step, 0.781556 hours remaining, 234.972656 MB of memory in use. ENERGY: 4122400 4063.6475 20540.3572 14445.4023 245.2117 -203376.8067 2487.9062 0.0000 0.0000 51794.5656 -109799.7163 297.6641 -161594.2819 -109436.0678 298.0959 -236.7655 -210.2546 762880.2356 -19.0874 -19.0439 PRESSURE: 4122600 16.6142 7.3593 -139.038 7.35899 -88.8274 156.206 -139.038 156.205 -106.655 GPRESSURE: 4122600 45.7212 7.53036 -118.489 -24.0898 48.641 188.497 -93.3769 -50.557 -161.154 PRESSAVG: 4122600 30.9551 5.29588 21.1375 5.29589 -24.2947 29.7761 21.1376 29.7761 1.37441 GPRESSAVG: 4122600 30.2969 6.66267 19.2862 4.41507 -24.5026 28.9115 24.8245 28.2464 2.05684 TIMING: 4122600 CPU: 13032.2, 0.00319262/step Wall: 13032.2, 0.00319262/step, 0.778113 hours remaining, 234.972656 MB of memory in use. ENERGY: 4122600 3997.3014 20223.1396 14519.5964 253.7752 -203281.3015 2694.4278 0.0000 0.0000 52081.1864 -109511.8747 299.3113 -161593.0611 -109140.6631 298.4746 -59.6226 -22.2639 762109.3793 2.6783 2.6171 PRESSURE: 4122800 -20.1907 -141.717 -131.571 -141.718 94.6172 -85.7133 -131.571 -85.7134 13.5629 GPRESSURE: 4122800 57.2179 -215.023 -114.37 -132.653 199.878 -119.399 -126.353 -83.9571 -51.3969 PRESSAVG: 4122800 -1.9989 -70.3129 7.16028 -70.313 29.2122 30.1824 7.16036 30.1824 -3.45615 GPRESSAVG: 4122800 -1.72632 -70.7714 8.04874 -70.3925 29.7106 30.2661 8.37922 32.9444 -4.233 TIMING: 4122800 CPU: 13032.9, 0.00319605/step Wall: 13032.9, 0.00319605/step, 0.77877 hours remaining, 234.972656 MB of memory in use. ENERGY: 4122800 3928.6001 20529.6276 14486.1002 250.2300 -203515.5943 2841.9852 0.0000 0.0000 52168.9885 -109310.0626 299.8159 -161479.0511 -108948.7149 299.3638 29.3298 68.5664 762809.7151 7.9191 7.9171 PRESSURE: 4123000 -262.536 68.5592 -13.3448 68.5591 -109.999 46.571 -13.3444 46.5712 -18.1781 GPRESSURE: 4123000 -264.973 -3.58751 -120.724 -38.738 -8.70461 77.0853 85.2834 -0.102793 -16.6772 PRESSAVG: 4123000 -51.1098 16.287 25.2455 16.287 30.8417 33.1336 25.2455 33.1335 -3.38032 GPRESSAVG: 4123000 -51.2641 14.6469 25.7237 15.8892 30.8773 33.4613 23.3952 33.7819 -3.12439 TIMING: 4123000 CPU: 13033.5, 0.00318798/step Wall: 13033.5, 0.00318798/step, 0.776626 hours remaining, 234.972656 MB of memory in use. ENERGY: 4123000 3971.0753 20516.8559 14481.1428 230.4347 -203303.7252 2546.5442 0.0000 0.0000 52324.4557 -109233.2165 300.7094 -161557.6722 -108861.6430 299.4064 -130.2376 -96.7849 761662.7356 -7.8828 -7.8371 PRESSURE: 4123200 214.679 -81.6123 130.443 -81.6126 -98.7328 202.815 130.443 202.814 -150.628 GPRESSURE: 4123200 207.003 -81.0777 196.502 -14.442 -31.8891 193.766 165.962 225.426 -141.527 PRESSAVG: 4123200 -4.61995 -55.2815 14.5691 -55.2815 12.689 45.4175 14.5692 45.4175 -11.0703 GPRESSAVG: 4123200 -4.05561 -55.5305 14.8732 -55.0265 12.2514 45.8707 14.4752 43.7397 -11.15 TIMING: 4123200 CPU: 13034.1, 0.00317935/step Wall: 13034.1, 0.00317935/step, 0.774348 hours remaining, 234.972656 MB of memory in use. ENERGY: 4123200 3949.3317 20598.6498 14475.3257 242.9646 -203252.1332 2591.0895 0.0000 0.0000 51912.9988 -109481.7732 298.3447 -161394.7720 -109131.7291 299.6488 -11.5607 11.1958 761989.3986 -1.0004 -0.9847 PRESSURE: 4123400 -138.549 -63.0508 132.631 -63.0505 109.187 2.41898 132.631 2.41907 191.443 GPRESSURE: 4123400 -179.345 -100.739 94.224 -112.326 191.437 28.9055 240.496 -126.654 237.544 PRESSAVG: 4123400 -9.8002 28.9204 22.5338 28.9204 67.1662 34.9495 22.5337 34.9495 -5.60165 GPRESSAVG: 4123400 -10.0582 29.2571 21.622 30.1833 67.257 34.024 20.3285 35.44 -5.61246 TIMING: 4123400 CPU: 13034.8, 0.00316789/step Wall: 13034.8, 0.00316789/step, 0.77138 hours remaining, 234.972656 MB of memory in use. ENERGY: 4123400 3970.5617 20382.7441 14502.1261 239.1796 -203101.8102 2658.8367 0.0000 0.0000 51904.1960 -109444.1661 298.2941 -161348.3620 -109092.9850 299.5626 54.0270 83.2120 760260.1840 17.2548 17.1955 PRESSURE: 4123600 58.4758 -18.2631 -113.566 -18.2638 59.8577 195.917 -113.566 195.917 133.35 GPRESSURE: 4123600 24.6418 -77.6679 -84.0047 -145.643 186.376 227.113 -32.2857 277.459 126.805 PRESSAVG: 4123600 2.53434 -17.9047 -26.7241 -17.9048 4.37538 51.5211 -26.724 51.5212 1.01478 GPRESSAVG: 4123600 3.53014 -17.2436 -23.5347 -19.6603 4.22965 52.9662 -26.2525 51.9577 0.108455 TIMING: 4123600 CPU: 13035.4, 0.00318536/step Wall: 13035.4, 0.00318536/step, 0.775459 hours remaining, 234.972656 MB of memory in use. ENERGY: 4123600 3939.9611 20465.4073 14462.0508 250.1330 -202840.5304 2526.4055 0.0000 0.0000 51914.9927 -109281.5801 298.3562 -161196.5728 -108927.6534 299.1605 83.8944 112.6076 761901.9209 2.6415 2.6227 PRESSURE: 4123800 -83.5196 -193.094 -24.2625 -193.094 202.452 115.211 -24.2629 115.21 -169.241 GPRESSURE: 4123800 -52.2441 -186.159 -4.33389 -114.055 232.705 158.549 -33.389 -10.1415 -149.021 PRESSAVG: 4123800 43.0638 -9.59767 -17.8554 -9.5977 -17.8444 -2.0742 -17.8555 -2.07414 7.43348 GPRESSAVG: 4123800 42.5382 -9.04732 -19.5174 -7.2058 -17.3767 -3.26529 -17.5612 -3.90835 7.41947 TIMING: 4123800 CPU: 13036, 0.00318663/step Wall: 13036, 0.00318663/step, 0.775591 hours remaining, 234.972656 MB of memory in use. ENERGY: 4123800 3956.9759 20415.7059 14480.8504 243.6796 -203179.8888 2549.8136 0.0000 0.0000 52155.5021 -109377.3613 299.7384 -161532.8634 -109019.4340 299.2350 -16.7693 10.4800 760527.8411 10.8843 10.8603 PRESSURE: 4124000 145.254 -124.865 -90.2277 -124.864 -79.5886 189.424 -90.2272 189.425 -13.2184 GPRESSURE: 4124000 232.086 -0.933557 -35.9273 -46.1563 -71.2894 185.124 7.08627 217.878 -21.1884 PRESSAVG: 4124000 -13.0654 13.9824 -4.53989 13.9824 20.4242 64.4822 -4.53996 64.4821 -4.29267 GPRESSAVG: 4124000 -12.758 13.0034 -4.08451 13.3034 18.6568 65.5196 -4.00366 66.0286 -2.72981 TIMING: 4124000 CPU: 13036.7, 0.00316782/step Wall: 13036.7, 0.00316782/step, 0.770836 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: 4124000 4062.7388 20490.4881 14434.4009 231.3158 -203625.9922 2723.5817 0.0000 0.0000 52359.2523 -109324.2146 300.9093 -161683.4669 -108970.4443 299.9239 17.4823 46.5362 760569.4394 1.0220 1.0563 PRESSURE: 4124200 -295.373 -158.627 22.2818 -158.627 87.047 -314.066 22.2826 -314.066 -117.311 GPRESSURE: 4124200 -249.232 -156.156 -28.9724 -220.061 170.996 -334.919 -56.2545 -201.9 -168.065 PRESSAVG: 4124200 63.2224 34.312 -48.8081 34.3121 -58.7018 22.7603 -48.8082 22.7602 0.8487 GPRESSAVG: 4124200 62.032 34.4588 -50.1878 34.5351 -56.6717 20.9471 -50.1301 22.2027 0.123492 TIMING: 4124200 CPU: 13037.3, 0.00316283/step Wall: 13037.3, 0.00316283/step, 0.769445 hours remaining, 234.972656 MB of memory in use. ENERGY: 4124200 3924.0519 20464.7015 14412.1206 246.3433 -203236.4691 2678.4680 0.0000 0.0000 51927.9419 -109582.8420 298.4306 -161510.7838 -109225.5782 299.2121 -108.5455 -82.1001 762038.3857 1.7898 1.8279 LDB: ============= START OF LOAD BALANCING ============== 13049.8 LDB: ============== END OF LOAD BALANCING =============== 13049.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13049.8 LDB: ============= START OF LOAD BALANCING ============== 13050.2 LDB: Largest compute 7027 load 0.033765 is 17.3% of average load 0.195445 LDB: Average compute 0.004365 is 2.2% of average load 0.195445 LDB: TIME 13050.2 LOAD: AVG 0.195445 MAX 0.21997 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13050.2 LOAD: AVG 0.195445 MAX 0.21997 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 13050.2 LOAD: AVG 0.195445 MAX 0.216882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 13050.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13050.2 PRESSURE: 4124400 145.685 174.391 -8.8938 174.391 -79.1524 173.016 -8.89297 173.016 -184.328 GPRESSURE: 4124400 173.539 126.925 16.0209 139.236 -22.0209 235.488 5.79755 217.601 -188.079 PRESSAVG: 4124400 15.3134 -32.3809 -50.7394 -32.3809 -33.9555 -10.69 -50.7395 -10.6901 6.8144 GPRESSAVG: 4124400 16.8876 -33.0596 -51.0711 -32.9713 -34.6771 -8.50351 -49.8725 -10.1507 6.31999 TIMING: 4124400 CPU: 13038, 0.00323952/step Wall: 13038, 0.00323952/step, 0.787924 hours remaining, 236.933594 MB of memory in use. ENERGY: 4124400 4017.0416 20257.5505 14513.0842 235.4895 -203406.3159 2788.6752 0.0000 0.0000 52296.5660 -109297.9089 300.5491 -161594.4749 -108934.7813 299.3223 -39.2653 -12.1870 762527.1695 -3.9426 -3.8232 PRESSURE: 4124600 47.2279 -9.11637 103.592 -9.11597 -130.443 128.992 103.592 128.993 -270.98 GPRESSURE: 4124600 34.3791 -3.50504 47.3148 49.7294 -66.7295 113.418 103.311 19.5729 -236.161 PRESSAVG: 4124600 2.98061 -3.69287 -6.37798 -3.69293 0.325865 19.7814 -6.37796 19.7814 -22.8793 GPRESSAVG: 4124600 1.9249 -2.14993 -7.85095 -4.6113 0.740616 19.0949 -5.23682 17.2652 -22.5082 TIMING: 4124600 CPU: 13038.6, 0.00320195/step Wall: 13038.6, 0.00320195/step, 0.778608 hours remaining, 237.136719 MB of memory in use. ENERGY: 4124600 3939.8639 20322.2569 14507.7231 246.1679 -203101.7982 2495.9985 0.0000 0.0000 52212.9912 -109376.7968 300.0688 -161589.7880 -109006.0957 299.5058 -118.0652 -89.5037 762384.3376 -6.5243 -6.6142 PRESSURE: 4124800 45.9547 -86.2474 -257.174 -86.2476 124.719 -85.9697 -257.174 -85.9699 -196.545 GPRESSURE: 4124800 111.093 -76.3737 -210.605 65.3272 183.484 -129.701 -189.894 -48.232 -225.736 PRESSAVG: 4124800 60.5493 -7.84578 48.9848 -7.84575 -51.7125 4.57204 48.9848 4.57194 23.1389 GPRESSAVG: 4124800 62.5233 -8.87794 50.3092 -4.75124 -52.0529 5.39872 50.5317 7.37473 21.7145 TIMING: 4124800 CPU: 13039.2, 0.00320364/step Wall: 13039.2, 0.00320364/step, 0.778842 hours remaining, 237.136719 MB of memory in use. ENERGY: 4124800 4005.4589 20237.4319 14551.6988 250.5423 -203211.6251 2863.3289 0.0000 0.0000 52052.5215 -109250.6428 299.1466 -161303.1643 -108887.6661 299.8618 -8.6238 22.9470 761420.7473 10.6585 10.7283 PRESSURE: 4125000 -84.8562 92.479 -122.991 92.4799 146.646 -124.007 -122.991 -124.008 188.523 GPRESSURE: 4125000 -56.6148 -36.2414 -185.364 127.748 223.916 -74.1196 -70.4296 -215.349 186.605 PRESSAVG: 4125000 13.5089 52.6622 27.1193 52.6621 0.042467 75.4072 27.1193 75.4072 -1.01731 GPRESSAVG: 4125000 13.1125 52.8654 26.1413 51.9771 -0.27981 74.5956 27.0587 75.9396 -0.748862 TIMING: 4125000 CPU: 13039.9, 0.00317638/step Wall: 13039.9, 0.00317638/step, 0.772036 hours remaining, 237.136719 MB of memory in use. ENERGY: 4125000 3961.1620 20425.9898 14469.4598 235.2762 -202993.5621 2695.3140 0.0000 0.0000 52186.5159 -109019.8444 299.9166 -161206.3602 -108651.5603 299.4675 83.4378 117.9686 762287.7306 4.1780 4.0279 PRESSURE: 4125200 -80.7475 125.885 169.373 125.884 5.20121 18.6099 169.372 18.6097 -48.8673 GPRESSURE: 4125200 6.23884 129.515 214.438 89.9601 94.6678 115.567 28.3168 5.71267 -126.608 PRESSAVG: 4125200 9.50027 -57.3036 4.22634 -57.3037 -33.5809 27.2257 4.22633 27.2257 16.1364 GPRESSAVG: 4125200 8.49663 -58.1662 5.52125 -57.4601 -32.2914 27.2539 1.68711 24.0384 16.3907 TIMING: 4125200 CPU: 13040.5, 0.00318522/step Wall: 13040.5, 0.00318522/step, 0.774007 hours remaining, 237.136719 MB of memory in use. ENERGY: 4125200 3927.7130 20457.9951 14490.9034 243.6671 -202885.5961 2323.0405 0.0000 0.0000 52449.3847 -108992.8923 301.4273 -161442.2770 -108614.8718 299.6068 -41.4712 -8.5670 761558.9534 -2.6481 -2.4680 PRESSURE: 4125400 -94.3903 -45.5274 31.8898 -45.5281 174.824 30.0655 31.8909 30.0647 58.6682 GPRESSURE: 4125400 82.5892 -28.5683 22.8444 -16.8497 154.917 67.5761 9.87014 90.7858 -15.0649 PRESSAVG: 4125400 -14.9873 -89.6516 30.5288 -89.6516 3.90567 3.85495 30.5288 3.85495 6.43259 GPRESSAVG: 4125400 -15.1685 -87.6663 30.2881 -92.0006 4.02921 4.22285 29.4306 4.7109 6.25918 TIMING: 4125400 CPU: 13041.1, 0.00317596/step Wall: 13041.1, 0.00317596/step, 0.771582 hours remaining, 237.136719 MB of memory in use. ENERGY: 4125400 4023.4636 20323.2628 14501.6243 260.1368 -203183.5598 2919.3205 0.0000 0.0000 52088.6819 -109067.0698 299.3544 -161155.7518 -108694.1517 299.2808 46.3673 74.1471 763395.5962 -1.5497 -1.6267 PRESSURE: 4125600 -248.742 100.272 94.674 100.27 -1.49294 207.967 94.6742 207.967 -100.959 GPRESSURE: 4125600 -242.555 103.932 39.9841 189.967 32.2682 139.464 -3.8439 107.701 -78.8444 PRESSAVG: 4125600 5.54303 -31.4478 10.594 -31.4478 -3.68526 -27.5312 10.5939 -27.5312 28.5621 GPRESSAVG: 4125600 6.22514 -31.3862 9.36806 -31.4594 -3.90403 -27.3391 11.9896 -28.1025 28.0537 TIMING: 4125600 CPU: 13041.8, 0.00316551/step Wall: 13041.8, 0.00316551/step, 0.768866 hours remaining, 237.136719 MB of memory in use. ENERGY: 4125600 4101.3031 20563.7384 14515.1313 233.7688 -203220.8449 2568.6774 0.0000 0.0000 52220.2994 -109017.9264 300.1108 -161238.2258 -108655.6978 299.6945 -117.0647 -96.3772 764410.5193 10.1399 10.1249 PRESSURE: 4125800 162.777 -174.846 -95.6877 -174.845 -381.658 5.67307 -95.6889 5.67377 80.8838 GPRESSURE: 4125800 175.018 -168.492 -60.4863 -92.095 -369.976 -13.9176 -110.959 107.2 126.873 PRESSAVG: 4125800 -29.6695 -64.0635 2.63954 -64.0635 16.1621 16.5585 2.63955 16.5586 -14.6188 GPRESSAVG: 4125800 -29.1879 -64.9819 5.33624 -62.2909 14.013 15.6735 1.26531 20.0558 -13.2833 TIMING: 4125800 CPU: 13042.4, 0.00317823/step Wall: 13042.4, 0.00317823/step, 0.771781 hours remaining, 237.136719 MB of memory in use. ENERGY: 4125800 4005.7380 20551.1326 14565.0001 245.4800 -203133.9383 2507.6325 0.0000 0.0000 52404.8755 -108854.0796 301.1715 -161258.9551 -108494.4247 300.2601 -45.9989 -22.6947 764086.2426 -9.3754 -9.4861 PRESSURE: 4126000 62.8001 190.178 -112.319 190.179 21.725 -62.8782 -112.319 -62.88 64.2246 GPRESSURE: 4126000 74.2313 58.6303 -87.1293 92.7281 87.656 -9.56699 -196.405 -39.2528 56.6936 PRESSAVG: 4126000 16.288 -49.057 -8.30505 -49.057 -85.7143 -12.3138 -8.305 -12.3139 20.8312 GPRESSAVG: 4126000 15.356 -48.9594 -10.4099 -48.9147 -83.916 -10.275 -7.49914 -15.3288 20.3118 TIMING: 4126000 CPU: 13043.1, 0.00317978/step Wall: 13043.1, 0.00317978/step, 0.771979 hours remaining, 237.136719 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: 4126000 4079.5735 20593.3234 14524.9038 237.5392 -203241.5569 2639.1726 0.0000 0.0000 52126.4862 -109040.5581 299.5716 -161167.0444 -108668.7413 300.0319 49.5832 72.8603 763501.3814 -16.1984 -16.0827 PRESSURE: 4126200 51.4938 -174.903 49.7887 -174.904 -73.3838 108.302 49.7883 108.302 -187.378 GPRESSURE: 4126200 73.4341 -229.712 45.979 -213.617 -49.669 178.623 82.1991 18.4471 -162.101 PRESSAVG: 4126200 53.2733 -41.511 -40.4795 -41.511 -25.9731 28.7145 -40.4794 28.7145 2.61347 GPRESSAVG: 4126200 54.3942 -40.6742 -39.2888 -42.0072 -27.4561 28.5613 -40.452 29.0324 2.69033 TIMING: 4126200 CPU: 13043.7, 0.00318369/step Wall: 13043.7, 0.00318369/step, 0.772752 hours remaining, 237.136719 MB of memory in use. ENERGY: 4126200 4001.6252 20617.7463 14511.6924 265.0876 -202887.1674 2499.0765 0.0000 0.0000 52067.2834 -108924.6560 299.2314 -160991.9394 -108574.9783 299.9297 -69.7561 -46.1119 761541.4322 9.9712 9.8762 PRESSURE: 4126400 -162.905 -29.5794 72.2324 -29.5789 -119.5 -124.187 72.2319 -124.187 28.5705 GPRESSURE: 4126400 -45.6113 76.7578 -75.709 -17.1226 -82.0001 -128.295 81.4668 -171.334 -45.6592 PRESSAVG: 4126400 17.6933 -54.6758 -26.115 -54.6758 -2.86337 21.2394 -26.115 21.2394 12.7412 GPRESSAVG: 4126400 16.5199 -53.7593 -26.2778 -55.0406 -1.50306 18.1754 -26.015 21.7173 12.3855 TIMING: 4126400 CPU: 13044.3, 0.00315628/step Wall: 13044.3, 0.00315628/step, 0.765924 hours remaining, 237.136719 MB of memory in use. ENERGY: 4126400 3985.1544 20624.6339 14485.8323 255.1938 -203052.5897 2584.7874 0.0000 0.0000 52179.0137 -108937.9741 299.8735 -161116.9878 -108574.6964 300.3215 -84.6115 -57.7569 762206.5954 9.1904 9.1341 PRESSURE: 4126600 -193.274 -143.012 173.85 -143.012 -440.762 -62.1448 173.85 -62.1444 -134.948 GPRESSURE: 4126600 -125.703 -176.075 242.282 -24.5013 -325.148 -87.873 147.685 -93.343 -244.537 PRESSAVG: 4126600 13.9219 -40.4036 3.77159 -40.4036 4.62239 -17.9743 3.77162 -17.9743 -4.79977 GPRESSAVG: 4126600 15.368 -40.7212 3.38533 -41.1799 3.76094 -17.3992 2.88188 -18.5708 -5.20155 TIMING: 4126600 CPU: 13045, 0.0031688/step Wall: 13045, 0.0031688/step, 0.768786 hours remaining, 237.136719 MB of memory in use. ENERGY: 4126600 4019.0422 20509.0926 14435.4990 243.4020 -202849.1320 2629.7275 0.0000 0.0000 52153.0854 -108859.2832 299.7245 -161012.3686 -108490.2798 300.2862 -256.3281 -231.7959 761112.9339 4.5815 4.6425 PRESSURE: 4126800 138.234 -203.64 -101.016 -203.64 141.419 75.0636 -101.015 75.0625 -518.275 GPRESSURE: 4126800 136.243 -219.803 -90.3421 -207.982 87.7896 52.3398 -63.4962 155.078 -375.973 PRESSAVG: 4126800 8.10358 -46.6295 17.2618 -46.6296 -2.69848 -12.4656 17.2618 -12.4657 -15.6169 GPRESSAVG: 4126800 6.64605 -46.6047 17.2177 -47.3019 -2.15438 -10.0874 19.0165 -13.7962 -13.7759 TIMING: 4126800 CPU: 13045.6, 0.00317039/step Wall: 13045.6, 0.00317039/step, 0.768996 hours remaining, 237.136719 MB of memory in use. ENERGY: 4126800 4098.7971 20636.6483 14472.6021 254.5638 -203140.1229 2479.8880 0.0000 0.0000 52240.5106 -108957.1130 300.2269 -161197.6236 -108605.4973 300.3391 -79.5407 -50.6468 760229.8569 -3.4039 -3.0948 PRESSURE: 4127000 -44.0441 -152.884 -152.696 -152.884 195.81 -105.516 -152.695 -105.515 -180.313 GPRESSURE: 4127000 91.6132 -170.073 -68.9692 -237.329 146.173 -103.287 -250.101 -116.739 -170.657 PRESSAVG: 4127000 -6.67478 -54.5585 -12.5956 -54.5585 -1.56017 -49.4029 -12.5956 -49.403 2.14823 GPRESSAVG: 4127000 -6.25288 -56.5268 -12.3011 -53.538 -1.01128 -50.9812 -15.8356 -46.8185 1.53901 TIMING: 4127000 CPU: 13046.2, 0.00317061/step Wall: 13046.2, 0.00317061/step, 0.768873 hours remaining, 237.136719 MB of memory in use. ENERGY: 4127000 4040.5163 20293.6443 14475.0620 249.6157 -202967.4668 2513.7295 0.0000 0.0000 52297.5921 -109097.3070 300.5550 -161394.8990 -108731.5321 299.6710 -9.5154 22.3766 761991.0540 -2.0289 -1.9084 PRESSURE: 4127200 -237.99 131.112 -30.4432 131.113 -24.1605 -36.402 -30.4428 -36.4024 -243.874 GPRESSURE: 4127200 -134.754 123.722 -4.40333 132.553 3.49054 30.4314 -25.6531 0.608684 -283.389 PRESSAVG: 4127200 47.7783 -25.0199 39.9411 -25.0199 -25.2099 -29.411 39.941 -29.411 10.7591 GPRESSAVG: 4127200 48.2755 -21.8535 40.6341 -23.9889 -25.4652 -27.4785 42.7597 -30.442 10.1429 TIMING: 4127200 CPU: 13046.9, 0.00317733/step Wall: 13046.9, 0.00317733/step, 0.770327 hours remaining, 237.136719 MB of memory in use. ENERGY: 4127200 4120.9464 20582.5985 14468.3821 255.6288 -203297.9196 2610.6774 0.0000 0.0000 51919.5130 -109340.1732 298.3822 -161259.6862 -108974.0034 299.3855 -168.6749 -138.2173 761455.5179 11.1092 10.9844 PRESSURE: 4127400 401.734 109.423 50.6318 109.422 203.649 338.297 50.6318 338.297 -16.3189 GPRESSURE: 4127400 417.933 131.896 25.0387 109.091 241.487 375.441 0.458718 274.687 15.863 PRESSAVG: 4127400 79.6595 -37.3034 -8.56983 -37.3034 -79.9232 -33.8044 -8.56987 -33.8044 17.007 GPRESSAVG: 4127400 78.0806 -38.796 -9.41435 -37.4967 -78.7504 -35.4613 -6.44512 -34.5666 17.0071 TIMING: 4127400 CPU: 13047.5, 0.00316748/step Wall: 13047.5, 0.00316748/step, 0.767763 hours remaining, 237.136719 MB of memory in use. ENERGY: 4127400 3949.5807 20616.0523 14483.6256 254.7289 -203659.8240 2862.2400 0.0000 0.0000 52172.9127 -109320.6838 299.8384 -161493.5965 -108954.3378 299.0620 196.3547 225.0944 760917.2255 5.5811 5.4458 PRESSURE: 4127600 -34.3684 200.371 311.076 200.373 197.567 -94.4717 311.076 -94.4709 -5.87435 GPRESSURE: 4127600 -9.72124 164.812 238.777 106.69 258.548 -51.7205 210.197 -110.052 -10.2247 PRESSAVG: 4127600 50.8942 -89.1388 -23.4313 -89.1387 -15.516 -5.4708 -23.4312 -5.47083 -28.4056 GPRESSAVG: 4127600 51.6034 -90.3669 -23.8458 -89.0936 -17.547 -5.47947 -28.0765 -7.5443 -27.0273 TIMING: 4127600 CPU: 13048.1, 0.00317793/step Wall: 13048.1, 0.00317793/step, 0.770118 hours remaining, 237.136719 MB of memory in use. ENERGY: 4127600 3916.2906 20551.3154 14359.7965 238.1100 -203262.7631 2525.7303 0.0000 0.0000 52221.4407 -109450.0796 300.1173 -161671.5202 -109075.9661 299.0232 52.4415 79.5339 762217.4631 2.3242 2.3430 PRESSURE: 4127800 -87.7668 148.553 -12.6917 148.552 267.664 -439.017 -12.6917 -439.017 184.542 GPRESSURE: 4127800 -25.6931 45.899 31.0784 204.437 313.732 -382.218 128.785 -421.25 158.085 PRESSAVG: 4127800 -39.5266 -28.3818 31.0963 -28.3817 -20.9288 -54.9045 31.0963 -54.9046 11.1862 GPRESSAVG: 4127800 -37.4914 -28.1391 32.2357 -27.5906 -20.6448 -54.4069 32.472 -51.3993 8.23549 TIMING: 4127800 CPU: 13048.8, 0.00320622/step Wall: 13048.8, 0.00320622/step, 0.776796 hours remaining, 237.136719 MB of memory in use. ENERGY: 4127800 3936.0803 20546.8447 14467.7231 258.7231 -203171.5173 2582.7110 0.0000 0.0000 51961.4860 -109417.9491 298.6234 -161379.4351 -109057.8427 298.9192 121.4797 148.7080 761674.7640 -16.4231 -16.6336 PRESSURE: 4128000 -195.183 -38.6397 203.502 -38.6392 259.272 43.3773 203.502 43.3776 -75.6243 GPRESSURE: 4128000 -238.508 -134.855 196.6 -5.9237 366.571 90.6165 270.064 -17.9403 -41.8652 PRESSAVG: 4128000 -12.2787 7.40511 28.3865 7.40512 32.4231 -63.2866 28.3866 -63.2866 15.225 GPRESSAVG: 4128000 -13.7741 9.09367 27.7401 5.67592 32.8155 -61.8341 29.9777 -65.4033 17.0276 TIMING: 4128000 CPU: 13049.4, 0.0031906/step Wall: 13049.4, 0.0031906/step, 0.772833 hours remaining, 237.136719 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: 4128000 4049.4482 20421.4644 14385.8509 244.3054 -203057.9382 2588.7015 0.0000 0.0000 52371.2262 -108996.9416 300.9782 -161368.1677 -108635.5153 299.5792 -3.8449 28.7325 761498.1282 11.7898 12.0230 PRESSURE: 4128200 251.508 68.1462 -8.165 68.1465 -209.597 -46.7278 -8.16507 -46.7274 -30.1942 GPRESSURE: 4128200 212.948 25.6596 -40.5312 -65.319 -162.821 25.2018 -50.1913 -159.555 66.4378 PRESSAVG: 4128200 31.2855 -26.1545 -6.11846 -26.1545 -62.4018 -56.4399 -6.1185 -56.4398 -42.9149 GPRESSAVG: 4128200 30.5133 -28.9809 -7.04987 -26.5028 -63.0119 -57.692 -6.9709 -54.8941 -41.7806 TIMING: 4128200 CPU: 13050, 0.0031819/step Wall: 13050, 0.00318191/step, 0.770551 hours remaining, 237.136719 MB of memory in use. ENERGY: 4128200 3963.7387 20572.9190 14462.5276 242.0620 -202859.6304 2482.0299 0.0000 0.0000 52118.7526 -109017.6006 299.5272 -161136.3533 -108651.5592 299.9198 3.9057 38.8548 761712.0987 -24.6770 -24.7597 LDB: ============= START OF LOAD BALANCING ============== 13062.6 LDB: ============== END OF LOAD BALANCING =============== 13062.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13062.6 LDB: ============= START OF LOAD BALANCING ============== 13062.9 LDB: Largest compute 7067 load 0.033314 is 17.0% of average load 0.195578 LDB: Average compute 0.004378 is 2.2% of average load 0.195578 LDB: TIME 13062.9 LOAD: AVG 0.195578 MAX 0.213209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.516 MB LDB: TIME 13062.9 LOAD: AVG 0.195578 MAX 0.213209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.719 MB LDB: TIME 13062.9 LOAD: AVG 0.195578 MAX 0.213209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.719 MB LDB: ============== END OF LOAD BALANCING =============== 13062.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13062.9 PRESSURE: 4128400 -310.974 -127.074 241.053 -127.074 -100.937 -59.5934 241.054 -59.5934 -118.988 GPRESSURE: 4128400 -196.166 -61.2721 215.455 -123.648 -30.0195 3.60774 162.204 -118.751 -209.869 PRESSAVG: 4128400 6.61129 -49.3115 19.0292 -49.3116 -31.4127 -19.1081 19.0292 -19.108 -14.1327 GPRESSAVG: 4128400 7.22103 -48.6934 19.8592 -48.2144 -30.7202 -20.1693 19.7419 -19.4888 -15.1957 TIMING: 4128400 CPU: 13050.7, 0.00324337/step Wall: 13050.7, 0.00324337/step, 0.785255 hours remaining, 236.800781 MB of memory in use. ENERGY: 4128400 4047.2100 20525.0882 14492.1280 238.7324 -202594.5174 2304.6538 0.0000 0.0000 51858.3127 -109128.3923 298.0304 -160986.7050 -108778.0117 299.7515 -176.9661 -145.3516 762164.9636 -12.9780 -12.8983 PRESSURE: 4128600 -213.217 -41.4062 -78.8802 -41.4061 -270.557 -89.8949 -78.8813 -89.8931 168.838 GPRESSURE: 4128600 -104.644 -27.0955 -69.7753 -43.5572 -332.253 -112.91 -59.1113 -43.6317 177.632 PRESSAVG: 4128600 24.4469 -57.5252 -48.9384 -57.5252 -29.2043 -45.5555 -48.9385 -45.5555 20.6457 GPRESSAVG: 4128600 25.425 -58.9406 -48.2844 -55.9056 -30.559 -45.5114 -48.5273 -46.0499 20.834 TIMING: 4128600 CPU: 13051.3, 0.00318559/step Wall: 13051.3, 0.00318559/step, 0.77109 hours remaining, 237.207031 MB of memory in use. ENERGY: 4128600 3943.6084 20404.4975 14439.9344 241.1656 -202828.0234 2255.2833 0.0000 0.0000 52374.8731 -109168.6610 300.9991 -161543.5342 -108791.1506 299.7526 -104.9788 -86.4215 761433.5527 5.2961 5.2333 PRESSURE: 4128800 -206.564 -63.6385 39.5546 -63.6379 -234.213 81.0806 39.554 81.0803 -186.964 GPRESSURE: 4128800 -201.458 -48.9775 40.0053 -70.0911 -208.3 109.343 29.2811 -70.407 -126.368 PRESSAVG: 4128800 1.39203 -54.3312 -3.84823 -54.3313 -1.61513 0.93095 -3.84821 0.930913 -0.574664 GPRESSAVG: 4128800 0.630617 -53.0017 -4.4773 -55.5075 -0.493074 1.81739 -4.91914 2.5311 -0.267345 TIMING: 4128800 CPU: 13052, 0.0031733/step Wall: 13052, 0.0031733/step, 0.767938 hours remaining, 237.207031 MB of memory in use. ENERGY: 4128800 4053.7089 20682.5288 14495.8874 235.3752 -202534.3158 2135.5687 0.0000 0.0000 51702.7892 -109228.4577 297.1366 -160931.2469 -108875.0425 299.1536 -209.2471 -178.7089 760362.7773 -0.2659 -0.0433 PRESSURE: 4129000 76.6852 16.7203 -30.9839 16.7198 -335.079 -108.059 -30.9846 -108.058 -246.934 GPRESSURE: 4129000 48.8561 84.2906 -46.8746 42.0554 -204.01 -86.3699 -173.931 -132.93 -238.189 PRESSAVG: 4129000 20.9068 -4.37969 -11.5723 -4.37971 -16.2264 -24.7023 -11.5723 -24.7023 -0.723513 GPRESSAVG: 4129000 20.1134 -4.25041 -11.1683 -5.12798 -14.3905 -26.6192 -11.3026 -26.3619 -1.42731 TIMING: 4129000 CPU: 13052.6, 0.00316688/step Wall: 13052.6, 0.00316688/step, 0.766209 hours remaining, 237.480469 MB of memory in use. ENERGY: 4129000 4084.6248 20388.6572 14430.4883 232.8268 -203131.7863 2536.2235 0.0000 0.0000 52169.7605 -109289.2051 299.8203 -161458.9656 -108926.3388 299.7895 -168.4424 -131.1143 760533.0390 1.3189 1.4319 PRESSURE: 4129200 -293.629 45.1214 142.45 45.1217 114.42 -15.9616 142.45 -15.9618 -20.3702 GPRESSURE: 4129200 -224.968 175.409 181.678 -64.9215 -17.7004 -86.8838 112.938 -42.3847 130.888 PRESSAVG: 4129200 68.6408 -4.24996 25.8346 -4.24993 -82.5694 -87.5253 25.8346 -87.5253 -25.764 GPRESSAVG: 4129200 69.5757 -3.82756 27.2888 -4.00582 -84.3593 -86.7983 25.7624 -88.6838 -24.8374 TIMING: 4129200 CPU: 13053.2, 0.00318683/step Wall: 13053.2, 0.00318683/step, 0.77086 hours remaining, 237.480469 MB of memory in use. ENERGY: 4129200 4048.9197 20412.7583 14516.9853 245.4177 -202926.4611 2218.1649 0.0000 0.0000 52145.2646 -109338.9506 299.6796 -161484.2153 -108974.9572 299.8330 -66.5264 -37.2599 759090.1983 -13.2309 -13.2070 PRESSURE: 4129400 207.027 10.3191 -165.903 10.3198 57.3146 -113.828 -165.903 -113.827 69.5199 GPRESSURE: 4129400 206.889 5.59949 -164.799 14.3159 71.7564 -76.122 -13.2931 -133.976 132.054 PRESSAVG: 4129400 34.77 -15.1738 11.0184 -15.1738 -26.1585 -71.231 11.0183 -71.231 20.1009 GPRESSAVG: 4129400 34.8659 -15.9921 9.63855 -14.5941 -25.2117 -70.826 10.0639 -69.9981 19.3639 TIMING: 4129400 CPU: 13053.9, 0.00317966/step Wall: 13053.9, 0.00317966/step, 0.768947 hours remaining, 237.480469 MB of memory in use. ENERGY: 4129400 3983.9208 20593.0858 14481.0045 240.8594 -202966.4683 2377.0071 0.0000 0.0000 51876.7728 -109413.8179 298.1365 -161290.5907 -109058.8402 299.3057 111.2871 136.8997 762141.6000 9.5708 9.6727 PRESSURE: 4129600 138.107 -212.431 123.447 -212.43 -22.5953 -167.355 123.446 -167.354 -105.371 GPRESSURE: 4129600 103.421 -139.775 138.293 -204.904 5.22288 -122.118 25.9758 -106.309 -37.0752 PRESSAVG: 4129600 9.56765 -35.1731 -11.5916 -35.1731 -42.5691 -74.4527 -11.5916 -74.4527 -0.810033 GPRESSAVG: 4129600 9.87292 -31.8612 -10.7074 -36.6088 -44.0052 -73.6408 -10.7807 -74.0134 0.358194 TIMING: 4129600 CPU: 13054.5, 0.00320225/step Wall: 13054.5, 0.00320225/step, 0.774233 hours remaining, 237.480469 MB of memory in use. ENERGY: 4129600 3965.2058 20611.3466 14401.1356 260.9441 -203120.5087 2378.7761 0.0000 0.0000 51816.9204 -109686.1800 297.7926 -161503.1004 -109327.3357 298.9303 3.3801 23.8562 760588.6306 -11.2705 -11.2580 PRESSURE: 4129800 72.9213 27.3986 -155.842 27.3987 -227.871 -103.56 -155.841 -103.561 36.9854 GPRESSURE: 4129800 113.39 66.4768 -163.281 -72.7634 -217.241 -83.4161 -72.5648 -162.85 80.0115 PRESSAVG: 4129800 24.3422 -32.528 16.1158 -32.5281 -18.8183 -38.6273 16.1158 -38.6273 -36.3999 GPRESSAVG: 4129800 23.2715 -34.588 14.6889 -30.8156 -17.2685 -39.7814 16.4163 -38.34 -36.3042 TIMING: 4129800 CPU: 13055.1, 0.00317211/step Wall: 13055.1, 0.00317211/step, 0.76677 hours remaining, 237.480469 MB of memory in use. ENERGY: 4129800 3926.6587 20493.8120 14454.2853 232.2068 -202520.7730 2173.8703 0.0000 0.0000 51830.7862 -109409.1537 297.8722 -161239.9399 -109043.0225 298.8987 -39.3214 -7.9466 761414.7658 -10.2920 -10.1004 PRESSURE: 4130000 -53.3701 195.094 -202.387 195.094 -543.02 -184.541 -202.386 -184.541 -376.022 GPRESSURE: 4130000 -52.3437 155.199 -232.942 220.617 -475.107 -177.365 -142.358 -173.652 -345.14 PRESSAVG: 4130000 43.838 -0.4355 -10.3668 -0.435563 -69.7045 -49.0893 -10.3668 -49.0893 21.8995 GPRESSAVG: 4130000 44.4352 0.179038 -10.9204 -0.986253 -69.851 -49.8581 -9.20693 -48.6369 21.944 TIMING: 4130000 CPU: 13055.8, 0.00317534/step Wall: 13055.8, 0.00317534/step, 0.767373 hours remaining, 237.480469 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: 4130000 4049.2498 20427.0771 14506.3731 250.4958 -202782.3252 2150.0152 0.0000 0.0000 52112.2578 -109286.8564 299.4899 -161399.1142 -108926.4499 298.8883 -324.1374 -290.8635 761170.2459 -1.3223 -1.1573 PRESSURE: 4130200 -226.215 79.96 4.58497 79.9595 145.232 51.9482 4.58466 51.9467 11.0756 GPRESSURE: 4130200 -166.441 65.257 10.6976 115.858 102.371 184.555 12.8179 177.076 78.2166 PRESSAVG: 4130200 10.2811 -11.4154 -17.1278 -11.4154 11.2517 -81.7386 -17.1279 -81.7386 15.5827 GPRESSAVG: 4130200 11.0013 -11.8947 -16.202 -10.799 10.9917 -80.1289 -17.8354 -80.5833 15.0359 TIMING: 4130200 CPU: 13056.4, 0.00315853/step Wall: 13056.4, 0.00315853/step, 0.763136 hours remaining, 237.480469 MB of memory in use. ENERGY: 4130200 3908.5662 20421.7040 14544.5373 244.0880 -203288.8617 2558.7621 0.0000 0.0000 52314.3492 -109296.8550 300.6513 -161611.2041 -108924.9697 299.1060 -23.3023 4.7155 759527.1036 12.3718 12.3430 PRESSURE: 4130400 -199.23 237.604 95.5759 237.605 -32.82 204.094 95.5754 204.094 -171.669 GPRESSURE: 4130400 -164.606 163.893 94.573 204.965 27.9602 159.545 27.934 107.408 -182.545 PRESSAVG: 4130400 -3.17958 7.22997 -39.5521 7.22994 20.2143 19.8987 -39.5522 19.8986 -13.3249 GPRESSAVG: 4130400 -3.17205 4.89169 -38.5515 8.61503 21.2021 20.0707 -38.5896 17.8353 -13.6507 TIMING: 4130400 CPU: 13057, 0.00316053/step Wall: 13057, 0.00316053/step, 0.763443 hours remaining, 237.480469 MB of memory in use. ENERGY: 4130400 4015.6244 20519.5488 14461.3986 236.0471 -203545.0890 2887.7526 0.0000 0.0000 52037.9597 -109386.7578 299.0629 -161424.7175 -109027.2847 299.2877 -134.5728 -106.3969 762289.2563 1.2366 1.4598 PRESSURE: 4130600 -303.46 47.9251 211.255 47.9258 -520.047 56.7723 211.254 56.7728 -332.402 GPRESSURE: 4130600 -297.72 119.868 156.303 -12.6339 -434.159 -20.3228 130.268 -127.527 -327.738 PRESSAVG: 4130600 -1.92915 -13.2168 -15.0109 -13.2168 -3.62429 9.60895 -15.0109 9.60895 -13.8953 GPRESSAVG: 4130600 -1.20635 -11.8437 -17.364 -15.6117 -4.4418 9.78669 -16.9847 9.41078 -14.2129 TIMING: 4130600 CPU: 13057.7, 0.00317431/step Wall: 13057.7, 0.00317431/step, 0.766595 hours remaining, 237.480469 MB of memory in use. ENERGY: 4130600 4037.6013 20384.8877 14441.5020 236.9964 -202927.5302 2561.4055 0.0000 0.0000 51866.0744 -109399.0629 298.0750 -161265.1373 -109031.7948 298.9954 -385.3032 -353.2058 763528.0315 -6.4829 -6.6203 PRESSURE: 4130800 -257.778 79.5007 -85.0593 79.501 -141.569 -42.8331 -85.0598 -42.8324 107.192 GPRESSURE: 4130800 -287.377 41.5954 -39.8102 100.933 -41.5411 72.3973 62.0136 -122.415 121.59 PRESSAVG: 4130800 64.6329 13.7274 21.4672 13.7274 -30.5584 10.8235 21.4672 10.8235 19.6186 GPRESSAVG: 4130800 62.9299 14.8206 22.2414 13.8515 -29.9776 10.2558 24.9207 11.5312 20.1235 TIMING: 4130800 CPU: 13058.3, 0.00318488/step Wall: 13058.3, 0.00318488/step, 0.768972 hours remaining, 237.480469 MB of memory in use. ENERGY: 4130800 4039.3475 20401.5035 14516.9706 248.7573 -203423.7488 2927.2100 0.0000 0.0000 51915.8987 -109374.0612 298.3614 -161289.9599 -109011.4614 299.2216 -97.3850 -69.1092 763762.0738 17.8977 17.6919 PRESSURE: 4131000 -134.833 143.221 151.398 143.221 99.2783 -256.611 151.398 -256.613 -303.702 GPRESSURE: 4131000 -79.6701 232.027 222.826 194.85 137.72 -132.401 24.0206 -183.896 -312.285 PRESSAVG: 4131000 -29.9435 -10.4929 37.9672 -10.493 0.791612 24.1617 37.9672 24.1618 5.75178 GPRESSAVG: 4131000 -29.8432 -13.1106 37.2879 -9.66007 1.40766 24.5944 36.4693 22.6356 5.1283 TIMING: 4131000 CPU: 13059, 0.00318242/step Wall: 13059, 0.00318242/step, 0.768202 hours remaining, 237.480469 MB of memory in use. ENERGY: 4131000 3956.8106 20583.5307 14473.4030 240.8130 -203293.3937 2702.6392 0.0000 0.0000 52054.4884 -109281.7088 299.1579 -161336.1972 -108920.7981 299.3272 -113.0856 -84.7449 762363.5557 -7.8000 -7.7691 PRESSURE: 4131200 235.034 98.0393 -163.169 98.04 141.74 -146.655 -163.17 -146.655 59.9112 GPRESSURE: 4131200 318.257 13.6531 -146.723 148.891 96.6198 -56.0081 -99.7481 -14.9232 90.3188 PRESSAVG: 4131200 44.5705 7.89208 -5.66926 7.89206 -49.7426 23.3471 -5.66929 23.347 6.63567 GPRESSAVG: 4131200 44.3051 8.48371 -6.06946 9.46251 -51.6206 22.5686 -6.06923 25.1901 8.80551 TIMING: 4131200 CPU: 13059.6, 0.00319646/step Wall: 13059.6, 0.00319646/step, 0.771413 hours remaining, 237.480469 MB of memory in use. ENERGY: 4131200 3999.5584 20513.7418 14477.4114 252.0833 -203663.6780 2920.2727 0.0000 0.0000 52158.2070 -109342.4035 299.7539 -161500.6105 -108977.1436 299.2525 145.5617 168.3985 761143.0176 0.4878 0.4966 PRESSURE: 4131400 -237.61 -56.4718 37.4569 -56.4711 -342.815 -62.8606 37.4578 -62.8595 -175.207 GPRESSURE: 4131400 -163.029 98.4801 1.29442 -69.8791 -245.796 -30.195 33.2537 -2.3683 -254.976 PRESSAVG: 4131400 20.1236 10.5847 17.0112 10.5847 -27.4779 -11.5613 17.0113 -11.5613 8.36601 GPRESSAVG: 4131400 20.8065 10.8197 17.0391 9.79291 -27.6059 -11.657 16.2128 -11.3822 7.55481 TIMING: 4131400 CPU: 13060.2, 0.00318361/step Wall: 13060.2, 0.00318361/step, 0.768135 hours remaining, 237.468750 MB of memory in use. ENERGY: 4131400 4026.2373 20557.0640 14528.0362 257.8680 -202933.9101 2290.5152 0.0000 0.0000 52183.1197 -109091.0697 299.8971 -161274.1894 -108730.6493 299.6374 -251.8770 -221.2671 761444.8631 0.3372 0.2518 PRESSURE: 4131600 -120.051 -7.06613 79.4733 -7.06576 -198.975 25.9209 79.4719 25.9198 -59.0211 GPRESSURE: 4131600 -115.55 63.0455 26.7142 -27.541 -125.159 126.932 187.736 -28.4475 -32.3307 PRESSAVG: 4131600 23.0961 -32.3767 -42.1094 -32.3767 1.40367 -39.5394 -42.1094 -39.5393 12.532 GPRESSAVG: 4131600 22.7216 -31.3711 -42.2608 -33.5876 2.15398 -39.9634 -40.8737 -39.1742 12.7373 TIMING: 4131600 CPU: 13060.9, 0.00317861/step Wall: 13060.9, 0.00317861/step, 0.766752 hours remaining, 237.468750 MB of memory in use. ENERGY: 4131600 3974.5870 20594.7455 14511.5473 249.5788 -202824.0302 2396.9144 0.0000 0.0000 52110.9111 -108985.7462 299.4821 -161096.6572 -108629.3254 300.0978 -126.0159 -91.0133 760994.1752 12.3439 12.5376 PRESSURE: 4131800 -366.999 -198.139 103.03 -198.139 335.006 86.2112 103.03 86.2104 -46.1485 GPRESSURE: 4131800 -337.872 -170.166 47.0338 -142.688 323.362 -13.5249 109.604 40.7719 22.701 PRESSAVG: 4131800 -67.8356 -19.2412 11.8999 -19.2412 55.999 2.83611 11.8999 2.83614 -12.0363 GPRESSAVG: 4131800 -69.5568 -21.4118 11.3193 -19.5105 57.5055 1.65712 13.6273 4.51299 -11.9031 TIMING: 4131800 CPU: 13061.5, 0.00319421/step Wall: 13061.5, 0.00319421/step, 0.770336 hours remaining, 237.468750 MB of memory in use. ENERGY: 4131800 3946.0899 20445.7615 14533.4330 251.3803 -202998.6300 2751.6809 0.0000 0.0000 52044.4456 -109025.8388 299.1001 -161070.2844 -108661.0860 299.7176 -26.0472 2.7305 764154.9788 -7.9576 -7.9848 PRESSURE: 4132000 82.4911 23.0683 146.733 23.0685 389.815 49.3597 146.732 49.3594 137.936 GPRESSURE: 4132000 103.528 37.2577 99.8312 11.6596 372.985 15.7987 -44.1277 -38.8712 207.159 PRESSAVG: 4132000 -17.5138 -16.812 -20.7398 -16.812 33.2519 -2.82976 -20.7396 -2.82984 31.727 GPRESSAVG: 4132000 -16.7028 -15.4223 -21.3327 -16.0312 33.0893 -2.71856 -22.4197 -3.68753 31.4384 TIMING: 4132000 CPU: 13062.1, 0.00316741/step Wall: 13062.1, 0.00316741/step, 0.763697 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: 4132000 4057.1567 20607.5913 14518.6307 243.1364 -203501.5772 2906.3712 0.0000 0.0000 52158.9391 -109009.7517 299.7581 -161168.6908 -108646.1756 299.6024 203.4140 227.8906 761816.3954 15.8217 15.9416 PRESSURE: 4132200 199.069 24.4169 -2.53503 24.4164 -352.04 170.391 -2.53426 170.39 -458.189 GPRESSURE: 4132200 172.509 -37.2217 72.7269 -53.4647 -336.45 173.571 -62.5277 83.0495 -358.944 PRESSAVG: 4132200 -27.2828 -31.033 42.6092 -31.0331 12.8975 -21.0041 42.6093 -21.0041 -18.5032 GPRESSAVG: 4132200 -26.2117 -30.4804 44.3056 -32.0441 12.9329 -20.3085 42.7646 -23.2025 -19.2041 TIMING: 4132200 CPU: 13062.8, 0.00318606/step Wall: 13062.8, 0.00318606/step, 0.768017 hours remaining, 237.468750 MB of memory in use. ENERGY: 4132200 4025.0642 20694.0093 14533.8345 265.0734 -202802.1399 2260.9034 0.0000 0.0000 51944.8753 -109078.3797 298.5279 -161023.2550 -108720.8546 299.6303 -203.7196 -174.2951 761236.3939 -10.9628 -10.8276 LDB: ============= START OF LOAD BALANCING ============== 13075.3 LDB: ============== END OF LOAD BALANCING =============== 13075.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13075.3 LDB: ============= START OF LOAD BALANCING ============== 13075.6 LDB: Largest compute 7066 load 0.033583 is 17.2% of average load 0.195695 LDB: Average compute 0.004375 is 2.2% of average load 0.195695 LDB: TIME 13075.6 LOAD: AVG 0.195695 MAX 0.215434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.641 MB LDB: TIME 13075.6 LOAD: AVG 0.195695 MAX 0.215434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: TIME 13075.6 LOAD: AVG 0.195695 MAX 0.215434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: ============== END OF LOAD BALANCING =============== 13075.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13075.6 PRESSURE: 4132400 157.41 81.0677 -6.90703 81.0679 43.9291 -114.517 -6.90673 -114.515 261.803 GPRESSURE: 4132400 172.43 115.311 27.4589 14.2011 102.887 -60.6601 5.52338 2.38546 271.92 PRESSAVG: 4132400 -27.3265 -25.5469 14.1132 -25.5468 11.1224 -14.9689 14.1133 -14.9689 -23.059 GPRESSAVG: 4132400 -26.9876 -28.5947 13.9737 -24.1231 10.0689 -14.5944 15.3834 -14.2834 -22.5808 TIMING: 4132400 CPU: 13063.4, 0.00323387/step Wall: 13063.4, 0.00323387/step, 0.779363 hours remaining, 234.777344 MB of memory in use. ENERGY: 4132400 4037.4234 20516.1851 14497.1906 237.9862 -203446.4871 2753.7986 0.0000 0.0000 52243.3524 -109160.5508 300.2433 -161403.9032 -108789.5636 299.6680 154.3807 182.4123 762178.2079 -13.0877 -13.1665 PRESSURE: 4132600 -213.618 -177.829 -61.7176 -177.829 -214.565 -159.085 -61.7179 -159.086 455.142 GPRESSURE: 4132600 -132.677 -221.363 -7.16659 -69.5908 -179.94 -253.082 -58.9479 -122.229 431.623 PRESSAVG: 4132600 -59.518 -31.9725 51.5843 -31.9725 57.2891 -8.34319 51.5843 -8.34319 23.1023 GPRESSAVG: 4132600 -59.6755 -31.4753 50.9387 -30.6167 57.8948 -10.091 51.4576 -8.16324 21.8657 TIMING: 4132600 CPU: 13064.1, 0.0031585/step Wall: 13064.1, 0.0031585/step, 0.761022 hours remaining, 234.980469 MB of memory in use. ENERGY: 4132600 3907.1576 20568.4268 14448.3497 264.3303 -202846.4891 2535.9903 0.0000 0.0000 52074.9386 -109047.2958 299.2754 -161122.2345 -108687.3030 299.8759 8.9862 39.6686 762817.7134 6.9578 6.6950 PRESSURE: 4132800 -155.957 141.661 -210.167 141.662 2.46188 -159.481 -210.167 -159.481 -72.7627 GPRESSURE: 4132800 -87.7808 220.117 -154.537 81.7017 -34.3562 -60.4632 -148.183 -29.9383 -10.1701 PRESSAVG: 4132800 9.39896 -18.263 20.2877 -18.263 -4.71325 -63.5364 20.2877 -63.5364 1.52541 GPRESSAVG: 4132800 10.0959 -15.7295 19.3194 -19.1303 -5.59055 -61.5338 20.2952 -61.5624 1.89622 TIMING: 4132800 CPU: 13064.7, 0.00314509/step Wall: 13064.7, 0.00314509/step, 0.757618 hours remaining, 234.980469 MB of memory in use. ENERGY: 4132800 3970.3287 20435.3599 14421.8642 240.1147 -203010.6882 2583.9208 0.0000 0.0000 52085.4504 -109273.6497 299.3358 -161359.1000 -108902.7882 299.6585 -75.4193 -44.1024 762169.5550 2.0704 2.1338 PRESSURE: 4133000 117.173 12.6678 47.1686 12.6678 295.724 234.229 47.1686 234.23 405.784 GPRESSURE: 4133000 190.622 -53.0746 31.1889 2.684 250.777 203.789 6.25125 134.412 469.138 PRESSAVG: 4133000 76.1868 19.9702 32.7197 19.9702 -113.085 32.0908 32.7198 32.0909 18.281 GPRESSAVG: 4133000 75.5245 17.2314 34.9546 18.7891 -112.71 31.9724 31.8267 31.2757 18.8014 TIMING: 4133000 CPU: 13065.3, 0.00318403/step Wall: 13065.3, 0.00318403/step, 0.766821 hours remaining, 234.980469 MB of memory in use. ENERGY: 4133000 4003.0377 20732.5939 14416.2155 245.6388 -203217.2886 2747.7382 0.0000 0.0000 51967.7557 -109104.3088 298.6594 -161072.0644 -108758.1751 299.5763 272.8939 303.5121 760442.5497 -6.2058 -6.1282 PRESSURE: 4133200 -242.519 -121.308 286.076 -121.308 -260.04 195.831 286.075 195.831 -187.966 GPRESSURE: 4133200 -186.786 -121.558 241.987 -176.487 -244.918 228.976 370.708 120.599 -188.647 PRESSAVG: 4133200 57.8707 -6.30882 14.4567 -6.3088 -45.391 53.5707 14.4568 53.5707 -10.9041 GPRESSAVG: 4133200 57.331 -4.82652 13.1939 -4.66154 -44.7081 53.8299 16.7622 52.0124 -10.8902 TIMING: 4133200 CPU: 13066, 0.00317353/step Wall: 13066, 0.00317353/step, 0.764117 hours remaining, 234.980469 MB of memory in use. ENERGY: 4133200 4036.8408 20569.4566 14518.7086 246.9979 -202931.9985 2350.8864 0.0000 0.0000 52252.4789 -108956.6293 300.2957 -161209.1082 -108585.2536 300.0898 -230.1751 -206.7834 761986.0140 0.5252 0.5776 PRESSURE: 4133400 -95.6599 88.3883 15.464 88.3884 -381.169 -79.0815 15.4646 -79.0814 -65.1497 GPRESSURE: 4133400 -12.8119 -79.3057 106.914 -21.9645 -373.385 -205.62 -11.1082 -40.3891 -67.6024 PRESSAVG: 4133400 57.797 -43.7803 9.15822 -43.7803 -32.5568 36.5126 9.1582 36.5126 -5.92376 GPRESSAVG: 4133400 57.7726 -44.3563 10.1495 -45.808 -31.6317 36.9617 5.27874 35.2045 -7.33446 TIMING: 4133400 CPU: 13066.6, 0.00316796/step Wall: 13066.6, 0.00316796/step, 0.762599 hours remaining, 235.152344 MB of memory in use. ENERGY: 4133400 4017.1650 20382.6411 14555.6995 255.0870 -202765.5233 2236.5938 0.0000 0.0000 52394.0862 -108924.2507 301.1095 -161318.3368 -108548.3981 300.8482 -180.6597 -151.2664 763338.6742 6.4388 6.2688 PRESSURE: 4133600 -15.8216 208.098 25.0677 208.097 -145.626 55.4814 25.0672 55.4804 47.0706 GPRESSURE: 4133600 45.7303 204.898 30.2122 159.572 -125.252 45.1332 43.8257 131.473 55.3709 PRESSAVG: 4133600 44.0571 -32.0094 18.8067 -32.0094 -23.9429 20.0575 18.8067 20.0576 21.308 GPRESSAVG: 4133600 43.1181 -32.8626 18.9355 -29.4045 -24.3708 18.4936 21.4747 23.0228 22.2782 TIMING: 4133600 CPU: 13067.2, 0.00317699/step Wall: 13067.2, 0.00317699/step, 0.764596 hours remaining, 235.152344 MB of memory in use. ENERGY: 4133600 4001.2411 20435.1764 14549.5351 239.7750 -202455.9175 2063.2977 0.0000 0.0000 52194.1511 -108972.7410 299.9605 -161166.8921 -108611.5873 300.4712 -38.1257 -8.0502 764511.5551 13.8074 13.6751 PRESSURE: 4133800 -313.248 -151.419 126.949 -151.418 133.299 136.051 126.948 136.051 -126.491 GPRESSURE: 4133800 -199.76 -96.2016 130.937 -140.16 111.42 68.6844 120.849 70.2775 -111.182 PRESSAVG: 4133800 -9.14168 19.2354 -12.421 19.2354 46.6159 -20.7341 -12.421 -20.7342 -18.8542 GPRESSAVG: 4133800 -8.44684 21.859 -12.8864 15.6578 46.4061 -19.7902 -13.7412 -20.3338 -18.9303 TIMING: 4133800 CPU: 13067.9, 0.00319297/step Wall: 13067.9, 0.00319297/step, 0.768264 hours remaining, 235.152344 MB of memory in use. ENERGY: 4133800 4070.9487 20609.4556 14479.2453 243.0070 -203396.1501 2741.2501 0.0000 0.0000 52244.9490 -109007.2944 300.2524 -161252.2434 -108633.7217 300.1389 -102.1467 -66.5071 762051.2875 6.2067 6.3430 PRESSURE: 4134000 -70.9236 -54.6558 -11.8718 -54.6553 56.8046 -76.0613 -11.8718 -76.0618 -241.372 GPRESSURE: 4134000 -67.8441 -80.5847 -21.2489 17.2525 68.9721 -36.9754 -56.9942 -208.41 -172.889 PRESSAVG: 4134000 7.77133 -14.8315 1.54574 -14.8315 -2.07528 6.62155 1.54576 6.62153 -9.09632 GPRESSAVG: 4134000 8.52808 -17.2272 0.480678 -10.9486 -3.36166 5.52551 2.79897 6.62584 -8.74128 TIMING: 4134000 CPU: 13068.5, 0.00317759/step Wall: 13068.5, 0.00317759/step, 0.764387 hours remaining, 235.152344 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: 4134000 4038.6747 20574.3351 14402.3772 214.0594 -202827.3570 2341.5663 0.0000 0.0000 52231.0252 -109025.3191 300.1724 -161256.3444 -108664.9676 300.4165 -85.1637 -57.2536 761699.6684 -1.1334 -1.1916 PRESSURE: 4134200 -353.625 -76.6392 96.9811 -76.6395 -21.4529 103.437 96.9815 103.437 -100.578 GPRESSURE: 4134200 -309.355 -116.995 39.2524 -135.18 69.4751 158.114 89.2106 18.638 -151.918 PRESSAVG: 4134200 -27.3738 -9.56333 10.4696 -9.5634 31.0602 -42.898 10.4696 -42.898 2.17906 GPRESSAVG: 4134200 -28.1433 -8.27199 9.72417 -10.6817 32.892 -40.7455 10.7052 -44.9014 1.58121 TIMING: 4134200 CPU: 13069.1, 0.00317899/step Wall: 13069.1, 0.00317899/step, 0.764546 hours remaining, 235.152344 MB of memory in use. ENERGY: 4134200 4056.6292 20557.4741 14462.0398 240.0564 -203200.6128 2348.9611 0.0000 0.0000 52179.2324 -109356.2198 299.8748 -161535.4521 -108992.8611 299.9483 -158.5520 -130.5992 762260.6935 1.9552 2.1100 PRESSURE: 4134400 -295.134 43.9699 273.321 43.9695 212.04 170.755 273.321 170.754 9.76359 GPRESSURE: 4134400 -346.2 12.5225 210.425 23.3154 231.923 161.423 174.964 231.151 122.687 PRESSAVG: 4134400 -47.8574 -15.022 -5.50747 -15.022 42.3596 9.27095 -5.50746 9.27093 3.64309 GPRESSAVG: 4134400 -47.9562 -14.3075 -4.62712 -15.0666 41.467 7.51566 -7.70597 13.0952 4.7206 TIMING: 4134400 CPU: 13069.8, 0.00319566/step Wall: 13069.8, 0.00319566/step, 0.768378 hours remaining, 235.152344 MB of memory in use. ENERGY: 4134400 4020.9168 20491.8810 14452.1785 244.9982 -202957.3548 2419.8568 0.0000 0.0000 51927.4967 -109400.0267 298.4280 -161327.5234 -109029.7015 299.1971 -24.4433 2.8033 762983.2253 -0.6182 -0.5896 PRESSURE: 4134600 -286.449 -12.2529 36.4876 -12.2533 -548.538 105.563 36.4868 105.564 -277.688 GPRESSURE: 4134600 -295.97 -83.6679 94.0951 -27.0777 -482.028 77.2257 141.538 151.579 -235.799 PRESSAVG: 4134600 -54.4281 9.19633 33.7147 9.19628 23.6469 1.7794 33.7147 1.77942 0.772798 GPRESSAVG: 4134600 -53.4321 6.60073 35.1411 7.57505 22.9257 2.13738 33.5068 -0.226438 0.672942 TIMING: 4134600 CPU: 13070.4, 0.00318329/step Wall: 13070.4, 0.00318329/step, 0.765228 hours remaining, 235.152344 MB of memory in use. ENERGY: 4134600 3969.1826 20585.0727 14458.9379 238.7774 -202932.4828 2296.9323 0.0000 0.0000 51922.1240 -109461.4560 298.3972 -161383.5800 -109092.3644 299.3452 -370.8916 -337.9321 763529.2100 -10.0028 -9.9445 PRESSURE: 4134800 27.5862 229.951 -36.9406 229.951 206.988 -18.527 -36.9398 -18.5282 -181.805 GPRESSURE: 4134800 81.1694 230.148 34.2483 207.114 183.641 -127.143 -88.8585 -115.962 -109.312 PRESSAVG: 4134800 19.391 -7.81882 75.3639 -7.81879 -43.9084 -5.23909 75.364 -5.23919 -9.62773 GPRESSAVG: 4134800 19.5705 -5.37517 74.9418 -5.75564 -42.9592 -6.15104 79.0673 -4.79936 -10.1279 TIMING: 4134800 CPU: 13071, 0.00321782/step Wall: 13071, 0.00321783/step, 0.773351 hours remaining, 235.140625 MB of memory in use. ENERGY: 4134800 4067.7369 20460.9521 14420.5203 242.4060 -203658.0922 2854.7114 0.0000 0.0000 52134.4943 -109477.2710 299.6177 -161611.7654 -109117.3048 298.7628 17.5896 51.8328 763696.3232 -11.3817 -11.1722 PRESSURE: 4135000 -37.933 -186.315 174.259 -186.314 -196.677 45.75 174.259 45.7512 -224.514 GPRESSURE: 4135000 -49.0643 -188.097 220.221 -198.112 -80.6493 24.2112 140.683 53.4954 -240.404 PRESSAVG: 4135000 25.4896 40.5352 22.0022 40.5352 -34.685 23.102 22.0022 23.102 -1.24082 GPRESSAVG: 4135000 26.476 40.1396 21.1152 39.0749 -35.3415 23.8849 19.6002 22.909 -1.83105 TIMING: 4135000 CPU: 13071.7, 0.0032045/step Wall: 13071.7, 0.0032045/step, 0.769971 hours remaining, 235.140625 MB of memory in use. ENERGY: 4135000 4010.5895 20421.1459 14467.6301 251.5461 -203272.1074 2620.6149 0.0000 0.0000 52309.1603 -109191.4206 300.6215 -161500.5809 -108828.9372 299.1706 -153.0413 -123.3727 763699.6340 -3.4787 -3.5655 PRESSURE: 4135200 -177.636 -7.88955 41.7426 -7.89009 -10.2236 166.586 41.7428 166.587 18.1111 GPRESSURE: 4135200 -145.273 44.0165 -15.2619 71.8693 9.94797 226.473 186.321 -14.1991 56.1146 PRESSAVG: 4135200 22.5651 -40.9349 5.82968 -40.935 8.17517 -0.722899 5.8296 -0.722836 21.9759 GPRESSAVG: 4135200 20.8557 -40.1257 5.09377 -40.5093 8.33432 -0.786523 6.66333 -1.73361 23.5985 TIMING: 4135200 CPU: 13072.3, 0.00319936/step Wall: 13072.3, 0.00319936/step, 0.768557 hours remaining, 235.152344 MB of memory in use. ENERGY: 4135200 3969.0413 20425.4765 14527.2981 236.2185 -203211.2322 2660.5492 0.0000 0.0000 51841.1696 -109551.4791 297.9319 -161392.6487 -109189.9658 299.3263 -56.5829 -26.4033 762000.1156 17.5721 17.5962 PRESSURE: 4135400 -61.2353 -60.7542 152.041 -60.754 243.709 166.301 152.041 166.302 -19.6475 GPRESSURE: 4135400 -72.8926 34.014 199.044 -77.8552 303.088 149.015 48.3637 251.012 18.7284 PRESSAVG: 4135400 -45.4697 -36.9824 26.3522 -36.9825 -17.6725 -4.7168 26.3522 -4.71688 -5.01906 GPRESSAVG: 4135400 -44.1393 -37.3862 25.7884 -34.3649 -18.558 -5.38774 26.2625 -3.36433 -6.14594 TIMING: 4135400 CPU: 13073, 0.00320186/step Wall: 13073, 0.00320186/step, 0.768981 hours remaining, 235.152344 MB of memory in use. ENERGY: 4135400 3909.3551 20511.5320 14466.3693 229.2077 -203283.1371 2520.0122 0.0000 0.0000 51921.3047 -109725.3562 298.3925 -161646.6608 -109362.7265 298.4569 54.2753 82.9745 761174.8097 -22.7204 -22.9477 PRESSURE: 4135600 -160.518 6.39995 -27.7321 6.40016 -311.531 -162.196 -27.7317 -162.196 -28.9192 GPRESSURE: 4135600 -133.725 -14.1031 7.06497 27.6 -225.646 -191.187 19.1826 -140.706 -28.465 PRESSAVG: 4135600 -26.2398 6.14029 6.5032 6.14029 53.475 -25.7658 6.50319 -25.7657 -2.83311 GPRESSAVG: 4135600 -27.8006 6.13341 8.19574 4.0864 55.5282 -24.8515 6.01785 -27.6835 -2.51078 TIMING: 4135600 CPU: 13073.6, 0.00320505/step Wall: 13073.6, 0.00320505/step, 0.769568 hours remaining, 235.152344 MB of memory in use. ENERGY: 4135600 3975.7530 20559.3719 14435.0452 237.6456 -203343.4621 2508.8760 0.0000 0.0000 52023.9170 -109602.8534 298.9822 -161626.7704 -109241.7891 298.7160 -166.9893 -129.2786 761873.7721 8.1340 8.4056 PRESSURE: 4135800 -26.488 -87.9397 -45.4641 -87.9398 -96.6265 -187.535 -45.4645 -187.535 -12.0276 GPRESSURE: 4135800 39.8756 -51.8312 -57.5026 -85.0526 -92.478 -119.568 40.7617 -136.471 -0.28776 PRESSAVG: 4135800 -14.0087 11.2331 7.96809 11.2332 -1.65039 -28.0413 7.96815 -28.0413 -7.48228 GPRESSAVG: 4135800 -13.2702 11.0079 7.24054 12.7629 -3.30517 -28.416 6.50303 -26.7924 -6.45074 TIMING: 4135800 CPU: 13074.3, 0.00320821/step Wall: 13074.3, 0.00320821/step, 0.770149 hours remaining, 235.152344 MB of memory in use. ENERGY: 4135800 3969.5372 20527.1660 14454.6619 207.4724 -203421.2241 2503.3861 0.0000 0.0000 52090.8410 -109668.1595 299.3668 -161759.0005 -109304.8164 299.1193 -45.0474 -17.6300 762059.5609 -7.7138 -7.6754 PRESSURE: 4136000 242.003 43.9471 -133.86 43.9474 131.174 -158.106 -133.86 -158.107 89.4734 GPRESSURE: 4136000 242.118 36.1972 -135.131 52.6605 199.777 -97.2527 -200.793 -116.384 98.7077 PRESSAVG: 4136000 -40.0161 -15.7318 22.3765 -15.7318 29.4377 -32.2343 22.3765 -32.2343 19.2303 GPRESSAVG: 4136000 -39.2952 -17.0818 23.6108 -16.0906 30.0671 -31.7385 25.2667 -32.6192 17.5428 TIMING: 4136000 CPU: 13074.9, 0.00319245/step Wall: 13074.9, 0.00319245/step, 0.766188 hours remaining, 235.152344 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: 4136000 3977.3093 20485.1854 14469.1370 225.9566 -203172.1322 2580.1052 0.0000 0.0000 51854.1302 -109580.3085 298.0064 -161434.4387 -109226.9467 298.9138 154.2168 180.2008 760988.4731 2.8840 2.7716 PRESSURE: 4136200 -159.626 -22.2771 152.364 -22.2769 -37.662 -44.2513 152.364 -44.2513 293.541 GPRESSURE: 4136200 -77.8637 -45.5805 164.277 -53.2062 2.13655 42.1881 145.522 -78.9715 251.512 PRESSAVG: 4136200 -30.3571 -36.1807 22.8957 -36.1807 31.1813 -38.5212 22.8957 -38.5211 11.9171 GPRESSAVG: 4136200 -31.0239 -35.4306 23.2352 -36.2873 31.5197 -37.4335 21.8083 -38.7734 12.1405 TIMING: 4136200 CPU: 13075.5, 0.00319359/step Wall: 13075.5, 0.00319359/step, 0.766283 hours remaining, 235.152344 MB of memory in use. ENERGY: 4136200 4024.9753 20550.2013 14441.9118 244.5795 -203137.1043 2310.5308 0.0000 0.0000 52032.2527 -109532.6529 299.0301 -161564.9056 -109179.1304 298.8308 32.0844 58.5948 761771.4297 4.2471 4.2121 LDB: ============= START OF LOAD BALANCING ============== 13088.1 LDB: ============== END OF LOAD BALANCING =============== 13088.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13088.1 LDB: ============= START OF LOAD BALANCING ============== 13088.4 LDB: Largest compute 7058 load 0.033551 is 17.2% of average load 0.195573 LDB: Average compute 0.004369 is 2.2% of average load 0.195573 LDB: TIME 13088.4 LOAD: AVG 0.195573 MAX 0.219509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 13088.4 LOAD: AVG 0.195573 MAX 0.219509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: TIME 13088.4 LOAD: AVG 0.195573 MAX 0.216641 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.859 MB LDB: ============== END OF LOAD BALANCING =============== 13088.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13088.4 PRESSURE: 4136400 -176.769 -65.7319 201.408 -65.7322 244.267 -2.28725 201.409 -2.28802 156.339 GPRESSURE: 4136400 -66.56 -37.134 151.368 -70.2209 205.897 0.506641 143.725 -82.1774 174.61 PRESSAVG: 4136400 -71.4779 -50.6286 28.3955 -50.6286 67.2384 -22.938 28.3955 -22.9381 -15.6443 GPRESSAVG: 4136400 -71.3635 -51.6 27.9642 -50.2896 67.2373 -24.9088 27.5646 -22.6527 -14.7777 TIMING: 4136400 CPU: 13076.2, 0.00327873/step Wall: 13076.2, 0.00327873/step, 0.786532 hours remaining, 234.558594 MB of memory in use. ENERGY: 4136400 4012.5534 20524.0273 14469.5878 266.8625 -203263.6883 2565.2747 0.0000 0.0000 51889.1877 -109536.1949 298.2079 -161425.3826 -109177.7076 298.7633 74.6125 104.6489 761214.8020 -6.6279 -6.3013 PRESSURE: 4136600 -190.439 -278.581 -195.873 -278.581 -562.827 53.6717 -195.873 53.6718 -362.537 GPRESSURE: 4136600 -117.286 -171.9 -116.129 -225.114 -635.594 62.4596 -281.122 -105.566 -283.253 PRESSAVG: 4136600 -24.1354 35.2242 38.4669 35.2242 39.7491 -10.5191 38.4669 -10.5191 6.38111 GPRESSAVG: 4136600 -22.985 37.6371 37.4587 32.0298 39.7391 -9.58574 39.5467 -10.9343 5.38278 TIMING: 4136600 CPU: 13076.8, 0.00317507/step Wall: 13076.8, 0.00317507/step, 0.761487 hours remaining, 234.558594 MB of memory in use. ENERGY: 4136600 3948.0522 20533.6526 14476.9453 250.1636 -203192.4107 2273.3565 0.0000 0.0000 52317.2640 -109392.9765 300.6680 -161710.2405 -109032.9968 299.4039 -371.9344 -345.3776 761524.1421 7.3316 7.3789 PRESSURE: 4136800 380.405 41.9197 67.534 41.9199 -134.479 304.611 67.534 304.61 -58.2536 GPRESSURE: 4136800 330.829 26.3556 21.9657 78.5772 -42.7948 332.464 84.2234 214.554 -31.2766 PRESSAVG: 4136800 -15.9486 13.1474 19.9143 13.1474 -6.11758 14.7803 19.9144 14.7804 -9.14436 GPRESSAVG: 4136800 -16.3026 9.53388 18.9628 17.5313 -7.48734 14.2011 20.1596 14.3597 -7.29025 TIMING: 4136800 CPU: 13077.5, 0.00316755/step Wall: 13077.5, 0.00316755/step, 0.759508 hours remaining, 234.558594 MB of memory in use. ENERGY: 4136800 3986.9202 20533.5173 14487.3119 250.7468 -203029.0420 2344.4251 0.0000 0.0000 51970.9658 -109455.1549 298.6779 -161426.1207 -109088.5531 299.3764 62.5573 85.5859 761755.5478 -10.4035 -10.3601 PRESSURE: 4137000 15.0228 -130.626 125.049 -130.625 5.26177 7.05193 125.049 7.05293 -142.103 GPRESSURE: 4137000 -15.3043 -158.975 155.149 -48.1128 100.236 113.133 -14.0673 -55.2959 -119.244 PRESSAVG: 4137000 -23.0803 -1.40225 17.0823 -1.40219 9.20708 -15.5659 17.0823 -15.5659 12.3352 GPRESSAVG: 4137000 -24.2838 -0.566709 18.2767 -3.43379 10.7651 -15.2699 16.8491 -12.6428 11.3268 TIMING: 4137000 CPU: 13078.1, 0.00317236/step Wall: 13078.1, 0.00317236/step, 0.760485 hours remaining, 234.558594 MB of memory in use. ENERGY: 4137000 3905.6140 20527.2662 14380.8773 240.6601 -202963.7351 2361.8085 0.0000 0.0000 51813.6514 -109733.8576 297.7738 -161547.5090 -109360.6850 298.7752 -40.6063 -11.4377 758756.8210 -0.5127 -0.7306 PRESSURE: 4137200 -6.08547 -151.819 74.0645 -151.819 -251.872 -64.4776 74.064 -64.4773 218.45 GPRESSURE: 4137200 112.011 -115.958 35.4608 -67.1418 -257.594 -139.737 73.3352 7.54762 190.933 PRESSAVG: 4137200 -21.646 -30.3642 38.3163 -30.3641 20.7691 10.9202 38.3163 10.9202 -3.89941 GPRESSAVG: 4137200 -22.1409 -28.9419 39.1857 -30.4913 21.4581 9.92203 37.427 9.41836 -3.66792 TIMING: 4137200 CPU: 13078.7, 0.00317379/step Wall: 13078.7, 0.00317379/step, 0.760653 hours remaining, 234.558594 MB of memory in use. ENERGY: 4137200 3911.5321 20559.7423 14499.5104 244.5387 -202905.2127 2441.8008 0.0000 0.0000 52028.5545 -109219.5337 299.0088 -161248.0882 -108860.0665 299.0463 -13.1692 15.1169 760641.8968 -1.5921 -1.4502 PRESSURE: 4137400 -445.32 -11.8197 40.3929 -11.8206 130.751 235.447 40.3931 235.445 -202.941 GPRESSURE: 4137400 -380.647 24.9777 83.917 -32.3555 78.0994 282.021 26.4037 184.545 -152.584 PRESSAVG: 4137400 -5.07529 -79.2857 -4.4503 -79.2857 19.2133 31.0554 -4.45029 31.0555 -12.3537 GPRESSAVG: 4137400 -3.74702 -80.2396 -5.26851 -78.2436 17.8185 33.7332 -6.22407 31.1448 -12.1771 TIMING: 4137400 CPU: 13079.4, 0.00318905/step Wall: 13079.4, 0.00318905/step, 0.764131 hours remaining, 234.558594 MB of memory in use. ENERGY: 4137400 4015.5758 20623.2757 14418.7928 245.9823 -203140.9315 2403.2532 0.0000 0.0000 52361.8581 -109072.1935 300.9243 -161434.0516 -108703.8065 300.0074 -172.5031 -151.7106 760268.8807 0.5948 0.6314 PRESSURE: 4137600 411 -61.5416 -145.51 -61.5415 -257.361 -254.68 -145.509 -254.679 -299.787 GPRESSURE: 4137600 328.68 -134.596 -151.919 3.80199 -170.161 -229.917 -21.9195 -226.562 -221.637 PRESSAVG: 4137600 -20.3738 -14.5331 -5.0174 -14.5331 4.67225 -26.4975 -5.01732 -26.4974 3.16001 GPRESSAVG: 4137600 -20.3432 -13.2023 -4.91582 -14.5816 4.38319 -28.482 -1.88346 -26.0041 3.85096 TIMING: 4137600 CPU: 13080, 0.0031833/step Wall: 13080, 0.0031833/step, 0.762577 hours remaining, 234.558594 MB of memory in use. ENERGY: 4137600 4100.7462 20599.5992 14427.8853 247.2730 -203160.0055 2610.6494 0.0000 0.0000 52000.9937 -109172.8587 298.8504 -161173.8524 -108812.6412 299.7753 -48.7158 -21.0395 761263.4202 -4.1805 -4.0364 PRESSURE: 4137800 -232.295 39.1775 1.56194 39.1785 35.8204 127.42 1.5619 127.42 59.632 GPRESSURE: 4137800 -37.8912 -15.3679 -26.2645 29.9306 9.22712 54.6696 41.6982 113.613 -12.3208 PRESSAVG: 4137800 -10.8661 -18.6948 4.08764 -18.6948 16.5878 -42.5007 4.0876 -42.5007 -0.541139 GPRESSAVG: 4137800 -9.8631 -19.7148 4.73235 -18.8488 16.4885 -42.8055 2.71364 -42.0045 -1.28206 TIMING: 4137800 CPU: 13080.6, 0.0031954/step Wall: 13080.6, 0.0031954/step, 0.765299 hours remaining, 234.558594 MB of memory in use. ENERGY: 4137800 4001.1367 20463.3563 14444.0156 244.0199 -203085.2780 2338.5170 0.0000 0.0000 52217.2562 -109376.9763 300.0933 -161594.2325 -109007.3329 299.9948 -45.6144 -13.6616 759868.5790 1.7269 1.7811 PRESSURE: 4138000 361.039 -81.1234 -44.7437 -81.1246 23.4501 -51.8758 -44.7445 -51.8753 -244.815 GPRESSURE: 4138000 289.244 -249.533 -31.722 -76.4497 138.124 -41.3374 -32.4338 -53.0213 -191.343 PRESSAVG: 4138000 -57.6441 -64.2838 73.2172 -64.2838 25.1418 9.61211 73.2172 9.61206 -15.8288 GPRESSAVG: 4138000 -57.9554 -64.2624 72.491 -62.8898 25.7301 10.8675 70.8095 8.02714 -15.8517 TIMING: 4138000 CPU: 13081.3, 0.00318946/step Wall: 13081.3, 0.00318946/step, 0.763699 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: 4138000 3973.9369 20586.6220 14483.5649 247.2064 -202981.1646 2625.0004 0.0000 0.0000 51728.9790 -109335.8550 297.2872 -161064.8339 -108972.2744 299.9433 46.5581 78.6753 760708.8794 -16.1104 -16.0257 PRESSURE: 4138200 -327.382 -81.1742 -261.178 -81.174 -29.4697 71.8687 -261.178 71.8684 556.663 GPRESSURE: 4138200 -269.528 -129.087 -290.316 -83.0794 -46.7812 5.31647 -229.595 142.21 587.74 PRESSAVG: 4138200 53.0805 -76.8734 41.5223 -76.8734 -35.4006 -6.83224 41.5223 -6.83222 28.5382 GPRESSAVG: 4138200 52.6092 -76.76 42.1246 -79.3583 -34.3844 -7.08778 43.5823 -4.68728 27.8798 TIMING: 4138200 CPU: 13081.9, 0.00317643/step Wall: 13081.9, 0.00317643/step, 0.760402 hours remaining, 234.558594 MB of memory in use. ENERGY: 4138200 3921.9077 20578.3782 14518.0740 255.4367 -203548.2997 2579.4213 0.0000 0.0000 52252.2393 -109442.8425 300.2943 -161695.0818 -109089.0040 299.2929 66.6037 90.4768 760184.0976 15.4060 15.3682 PRESSURE: 4138400 -82.0791 -21.544 9.23166 -21.5431 152.211 164.154 9.23138 164.153 -16.814 GPRESSURE: 4138400 -40.054 43.8879 -41.1272 1.9862 189.574 101.336 24.3697 50.3463 -16.4117 PRESSAVG: 4138400 -4.57791 -39.8879 53.8772 -39.8879 14.9664 13.3093 53.8773 13.3093 7.35853 GPRESSAVG: 4138400 -3.82449 -38.7505 53.1016 -40.6512 13.8391 13.407 53.3415 12.6002 7.37566 TIMING: 4138400 CPU: 13082.5, 0.00318791/step Wall: 13082.5, 0.00318791/step, 0.762973 hours remaining, 234.558594 MB of memory in use. ENERGY: 4138400 3985.0772 20556.3274 14456.7225 238.6057 -203599.8622 2615.6346 0.0000 0.0000 52146.8296 -109600.6652 299.6885 -161747.4948 -109242.7285 299.1750 17.7725 44.3695 759197.4607 5.9157 5.7968 PRESSURE: 4138600 21.7442 -277.155 -205.45 -277.155 425.24 100.607 -205.45 100.609 263.249 GPRESSURE: 4138600 -38.6139 -129.787 -101.954 -275.049 473.858 183.433 -70.9379 115.633 357.846 PRESSAVG: 4138600 -6.58888 -11.6707 18.2391 -11.6707 49.722 -36.9644 18.2391 -36.9645 -17.6336 GPRESSAVG: 4138600 -8.51889 -12.4568 19.1025 -8.49021 50.4321 -37.5507 17.6716 -37.8126 -16.6102 TIMING: 4138600 CPU: 13083.2, 0.00317371/step Wall: 13083.2, 0.0031737/step, 0.759397 hours remaining, 234.558594 MB of memory in use. ENERGY: 4138600 3913.1665 20480.2003 14477.9413 239.3426 -203088.7679 2311.3354 0.0000 0.0000 52028.9578 -109637.8239 299.0111 -161666.7817 -109283.6663 299.2384 236.7444 264.3634 758678.6178 8.4998 8.4343 PRESSURE: 4138800 -611.049 -161.176 -32.1341 -161.175 -278.233 -132.781 -32.1338 -132.781 48.2529 GPRESSURE: 4138800 -527.465 -140.42 -18.1271 -59.3487 -193.841 -151.508 23.967 17.2315 -35.7714 PRESSAVG: 4138800 -30.9446 -13.1644 36.8259 -13.1644 62.2037 -81.6295 36.826 -81.6295 8.11629 GPRESSAVG: 4138800 -29.4683 -12.4366 36.1727 -14.2514 61.5185 -79.6973 39.1201 -80.803 7.73501 TIMING: 4138800 CPU: 13083.8, 0.0031924/step Wall: 13083.8, 0.0031924/step, 0.763692 hours remaining, 234.558594 MB of memory in use. ENERGY: 4138800 3995.6704 20417.7383 14464.8879 257.8190 -203061.1867 2286.1806 0.0000 0.0000 51990.9431 -109647.9474 298.7927 -161638.8905 -109279.6774 298.7922 -280.3430 -252.3591 760492.3555 13.1251 13.2617 PRESSURE: 4139000 328.681 -15.6749 74.2775 -15.6751 88.891 118.832 74.2779 118.832 102.498 GPRESSURE: 4139000 291.222 65.0054 93.4866 -6.33855 169.642 145.238 -26.6815 -33.5327 154.137 PRESSAVG: 4139000 -52.3835 -25.3341 7.67615 -25.3341 24.5114 -27.0538 7.6761 -27.0538 -18.1786 GPRESSAVG: 4139000 -54.0467 -24.7413 7.85592 -25.1076 25.7133 -28.2153 8.45422 -28.0226 -18.0322 TIMING: 4139000 CPU: 13084.5, 0.00317973/step Wall: 13084.5, 0.00317973/step, 0.760486 hours remaining, 234.558594 MB of memory in use. ENERGY: 4139000 3982.7315 20459.5464 14440.8681 251.3287 -203056.6636 2353.6368 0.0000 0.0000 52078.6731 -109489.8790 299.2969 -161568.5521 -109126.7798 299.2705 173.3566 205.0006 759324.8575 -15.3502 -15.4552 PRESSURE: 4139200 -238.231 145.877 -23.0786 145.877 -101.974 -60.3124 -23.0787 -60.3134 -249.388 GPRESSURE: 4139200 -179.972 129.178 70.1275 253.701 13.1735 -142.028 -7.85352 -64.5437 -343.212 PRESSAVG: 4139200 -31.3764 -57.7795 46.8879 -57.7794 16.4278 -4.97002 46.888 -4.97005 -5.3845 GPRESSAVG: 4139200 -30.8504 -57.1722 45.1108 -58.2455 16.4741 -5.67389 44.4309 -4.4237 -5.58567 TIMING: 4139200 CPU: 13085.1, 0.00319522/step Wall: 13085.1, 0.00319522/step, 0.764013 hours remaining, 234.558594 MB of memory in use. ENERGY: 4139200 3958.2777 20388.9111 14487.8112 239.1848 -202856.4350 2210.9867 0.0000 0.0000 52152.9632 -109418.3003 299.7238 -161571.2635 -109050.4052 299.2395 -196.5311 -170.0032 760355.3875 -6.7777 -6.6540 PRESSURE: 4139400 -330.927 111.562 -5.63832 111.563 90.8053 125.886 -5.63923 125.886 247.278 GPRESSURE: 4139400 -258.039 149.626 107.479 97.2112 72.6984 109.629 55.6073 82.6798 258.605 PRESSAVG: 4139400 -7.33997 31.2007 14.5039 31.2007 23.6112 -45.0021 14.5039 -45.0022 -7.92965 GPRESSAVG: 4139400 -5.98561 29.2243 17.8856 29.7249 22.9183 -45.0365 15.6507 -43.073 -8.76414 TIMING: 4139400 CPU: 13085.7, 0.00318284/step Wall: 13085.7, 0.00318284/step, 0.760876 hours remaining, 234.558594 MB of memory in use. ENERGY: 4139400 3954.3651 20431.6411 14499.3448 246.6692 -203395.8998 2569.7746 0.0000 0.0000 52166.5495 -109527.5555 299.8019 -161694.1050 -109161.6435 299.3577 2.3854 24.4214 759924.4634 2.7805 2.7229 PRESSURE: 4139600 -46.4849 -27.4269 -92.3515 -27.4256 277.024 113.896 -92.3513 113.897 145.538 GPRESSURE: 4139600 54.6457 -100.904 -98.9224 -33.2556 216.59 182.739 -53.4649 -54.3621 160.663 PRESSAVG: 4139600 -8.14154 12.3711 8.75743 12.3712 52.3921 -24.7553 8.7575 -24.7552 21.9564 GPRESSAVG: 4139600 -8.71462 12.5591 8.04205 12.3508 51.967 -24.8902 8.01923 -28.764 22.7838 TIMING: 4139600 CPU: 13086.4, 0.00319605/step Wall: 13086.4, 0.00319605/step, 0.763856 hours remaining, 234.558594 MB of memory in use. ENERGY: 4139600 3894.6182 20475.0215 14554.6057 266.7084 -203457.3673 2514.0783 0.0000 0.0000 52302.4644 -109449.8708 300.5830 -161752.3352 -109083.0483 299.2395 125.3590 143.9663 758551.9362 22.0690 22.0121 PRESSURE: 4139800 10.6503 -108.697 28.6716 -108.697 -13.4662 44.6434 28.6717 44.6437 440.608 GPRESSURE: 4139800 106.421 -120.185 43.9853 -133.36 -60.3391 56.662 63.6571 74.8326 471.751 PRESSAVG: 4139800 13.7989 -26.8485 36.4158 -26.8485 -5.38358 -50.4712 36.4158 -50.4712 0.153673 GPRESSAVG: 4139800 14.2018 -26.3722 34.1494 -28.1232 -5.08661 -49.9952 34.766 -50.4722 -0.394061 TIMING: 4139800 CPU: 13087, 0.00317635/step Wall: 13087, 0.00317635/step, 0.758971 hours remaining, 234.558594 MB of memory in use. ENERGY: 4139800 3967.9582 20518.1521 14516.5512 256.5415 -203340.1564 2547.1540 0.0000 0.0000 52154.4928 -109379.3067 299.7326 -161533.7995 -109012.4238 299.3665 145.9309 172.6110 758611.3103 2.8563 2.9070 PRESSURE: 4140000 17.0997 -180.037 -99.0371 -180.037 406.498 -11.015 -99.0364 -11.0146 384.886 GPRESSURE: 4140000 113.131 -204.092 -56.5548 -91.0456 329.802 -108.847 -173.982 114.145 436.133 PRESSAVG: 4140000 6.52348 19.292 -6.16058 19.292 40.6489 -0.42491 -6.16054 -0.424907 12.6013 GPRESSAVG: 4140000 7.74839 19.8057 -5.2279 22.4333 40.2852 -1.52376 -4.60919 2.86426 11.7509 TIMING: 4140000 CPU: 13087.6, 0.00317938/step Wall: 13087.6, 0.00317938/step, 0.759518 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: 4140000 3983.0083 20474.2111 14398.4584 254.4344 -203491.3129 2590.6108 0.0000 0.0000 52107.1731 -109683.4170 299.4606 -161790.5901 -109322.2762 299.5114 269.4946 293.0220 758404.8965 19.9245 19.9282 PRESSURE: 4140200 297.525 -306.155 300.431 -306.156 -120.386 -102.564 300.431 -102.564 -60.05 GPRESSURE: 4140200 250.541 -295.434 404.353 -242.508 -2.30589 -127.139 237.676 -135.242 -62.5665 PRESSAVG: 4140200 -32.3504 -22.0795 44.3785 -22.0795 60.4846 -4.77482 44.3785 -4.77486 -0.126728 GPRESSAVG: 4140200 -34.7781 -21.0579 45.4442 -25.4511 61.1935 -4.20757 44.1316 -4.89953 1.32603 TIMING: 4140200 CPU: 13088.3, 0.00317782/step Wall: 13088.3, 0.00317782/step, 0.758969 hours remaining, 234.558594 MB of memory in use. ENERGY: 4140200 4020.1158 20519.0226 14415.7781 256.9469 -203162.2700 2335.2629 0.0000 0.0000 52139.7391 -109475.4046 299.6478 -161615.1437 -109117.2708 299.2794 39.0296 61.8895 760591.6376 9.3358 9.2471 LDB: ============= START OF LOAD BALANCING ============== 13100.8 LDB: ============== END OF LOAD BALANCING =============== 13100.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13100.8 LDB: ============= START OF LOAD BALANCING ============== 13101.1 LDB: Largest compute 7027 load 0.033536 is 17.1% of average load 0.195577 LDB: Average compute 0.004381 is 2.2% of average load 0.195577 LDB: TIME 13101.1 LOAD: AVG 0.195577 MAX 0.213723 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13101.1 LOAD: AVG 0.195577 MAX 0.213723 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 13101.1 LOAD: AVG 0.195577 MAX 0.213723 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 13101.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13101.1 PRESSURE: 4140400 -119.695 -137.624 257.762 -137.623 -284.677 11.6618 257.761 11.6599 -46.2799 GPRESSURE: 4140400 -21.7565 -116.36 160.86 -75.3506 -280.564 -46.4495 179.475 125.215 -43.7055 PRESSAVG: 4140400 12.9598 -54.7842 37.2803 -54.7843 -66.7636 -11.9709 37.2803 -11.9709 1.45884 GPRESSAVG: 4140400 14.7441 -57.2174 37.0482 -51.95 -67.4923 -14.1571 36.1355 -11.2438 0.31053 TIMING: 4140400 CPU: 13088.9, 0.00325417/step Wall: 13088.9, 0.00325417/step, 0.777023 hours remaining, 236.355469 MB of memory in use. ENERGY: 4140400 4037.8471 20554.9095 14394.0530 247.7273 -203277.4609 2496.6667 0.0000 0.0000 52143.4182 -109402.8391 299.6689 -161546.2573 -109053.4066 299.7413 -150.2173 -115.3421 760573.4576 -17.4483 -17.4792 PRESSURE: 4140600 236.493 39.0931 113.273 39.0942 -132.205 -107.285 113.273 -107.286 348.466 GPRESSURE: 4140600 243.684 -2.82929 27.5926 107.273 -63.9253 -81.7024 129.812 -64.5062 352.929 PRESSAVG: 4140600 33.1895 -27.6203 46.8556 -27.6203 -31.6688 -10.1483 46.8556 -10.1484 25.7626 GPRESSAVG: 4140600 31.7716 -26.5642 45.1047 -28.7849 -30.8346 -8.10864 48.789 -10.8891 26.8379 TIMING: 4140600 CPU: 13089.6, 0.00318587/step Wall: 13089.6, 0.00318587/step, 0.760538 hours remaining, 236.355469 MB of memory in use. ENERGY: 4140600 4015.2855 20457.6893 14439.2678 276.7260 -203112.6966 2452.1874 0.0000 0.0000 52097.5190 -109374.0216 299.4052 -161471.5406 -109006.0798 299.2979 150.9181 177.5627 760936.9391 9.0944 9.2583 PRESSURE: 4140800 174.919 109.161 -134.423 109.161 -41.4223 90.2109 -134.424 90.2116 300.298 GPRESSURE: 4140800 226.054 57.6282 -172.3 198.469 -1.61278 107.719 -146.255 -9.75732 282.935 PRESSAVG: 4140800 55.7548 -21.8225 12.7136 -21.8225 -39.7133 -80.1508 12.7136 -80.1507 -8.85427 GPRESSAVG: 4140800 56.4256 -21.5655 13.7797 -21.563 -41.2397 -78.5229 12.2928 -84.2081 -8.07471 TIMING: 4140800 CPU: 13090.2, 0.00316895/step Wall: 13090.2, 0.00316895/step, 0.756323 hours remaining, 236.355469 MB of memory in use. ENERGY: 4140800 3961.1816 20476.8674 14507.0819 238.8816 -203476.3025 2727.6725 0.0000 0.0000 52178.8822 -109385.7352 299.8728 -161564.6175 -109020.2915 299.2186 144.5983 169.1255 761448.6565 2.3958 2.3704 PRESSURE: 4141000 52.7331 314.747 -58.3127 314.748 -180.638 83.6582 -58.3129 83.6588 -287.234 GPRESSURE: 4141000 128.046 434.387 -40.1603 193.555 -203.2 166.061 -123.817 -33.2667 -243.302 PRESSAVG: 4141000 -40.545 66.4892 34.4311 66.4892 17.7128 -28.5616 34.4311 -28.5615 -0.625668 GPRESSAVG: 4141000 -39.5484 66.0537 32.9484 67.3008 17.8692 -31.2388 34.6196 -24.8442 -1.71829 TIMING: 4141000 CPU: 13090.8, 0.00317561/step Wall: 13090.8, 0.00317561/step, 0.757736 hours remaining, 236.355469 MB of memory in use. ENERGY: 4141000 4007.3129 20723.3306 14442.1347 227.4943 -203144.5044 2458.2528 0.0000 0.0000 52148.8577 -109137.1214 299.7002 -161285.9791 -108771.8038 299.5108 -138.3798 -106.1519 763223.5191 -7.8193 -7.7991 PRESSURE: 4141200 144.247 -48.9212 -137.471 -48.9219 -124.603 107.352 -137.472 107.352 152.931 GPRESSURE: 4141200 187.895 -88.2777 -150.434 -73.775 -44.1871 34.5429 -4.61921 130.282 122.769 PRESSAVG: 4141200 -21.1647 50.817 58.4808 50.8169 -11.3014 -35.8033 58.4809 -35.8034 -17.5889 GPRESSAVG: 4141200 -22.0699 48.5906 59.2015 52.2024 -11.0308 -33.2056 57.4376 -37.4548 -17.5125 TIMING: 4141200 CPU: 13091.5, 0.00318218/step Wall: 13091.5, 0.00318218/step, 0.759126 hours remaining, 236.355469 MB of memory in use. ENERGY: 4141200 3968.0720 20432.9752 14493.2222 247.3958 -202963.9918 2478.3725 0.0000 0.0000 52071.7339 -109272.2201 299.2570 -161343.9541 -108897.5619 299.2918 57.5247 88.8255 763345.3652 -16.6850 -16.8710 PRESSURE: 4141400 -248.557 131.566 38.1777 131.566 31.3319 30.7013 38.1776 30.7006 -351.279 GPRESSURE: 4141400 -91.9002 97.0042 -7.86118 40.5263 61.3108 6.21815 84.9822 -115.923 -433.663 PRESSAVG: 4141400 42.7786 12.2667 30.2991 12.2667 -8.36621 7.39646 30.2991 7.39635 1.39874 GPRESSAVG: 4141400 43.3331 15.2203 29.7758 9.00094 -7.09108 6.08664 31.8183 7.24322 -0.463917 TIMING: 4141400 CPU: 13092.1, 0.00317841/step Wall: 13092.1, 0.00317841/step, 0.758051 hours remaining, 236.355469 MB of memory in use. ENERGY: 4141400 3999.4335 20464.8526 14520.4751 257.2125 -203284.1384 2498.3294 0.0000 0.0000 52143.1106 -109400.7246 299.6672 -161543.8352 -109038.0890 299.4853 -189.5015 -154.7508 761799.9747 11.9370 11.9260 PRESSURE: 4141600 96.8626 -98.5819 84.5034 -98.5819 393.99 -28.7262 84.5035 -28.727 -199.53 GPRESSURE: 4141600 26.1407 -80.5575 100.447 0.832109 510.968 -113.898 115.878 105.453 -172.995 PRESSAVG: 4141600 -85.3303 -32.6523 22.9729 -32.6523 43.7585 -35.5083 22.9729 -35.5083 -3.64219 GPRESSAVG: 4141600 -85.7096 -32.6351 22.2786 -32.7435 41.3614 -36.2467 21.9724 -33.2716 -1.56678 TIMING: 4141600 CPU: 13092.7, 0.00318792/step Wall: 13092.7, 0.00318792/step, 0.760142 hours remaining, 236.355469 MB of memory in use. ENERGY: 4141600 4036.2788 20407.9507 14501.9960 235.0355 -203623.8360 2815.4919 0.0000 0.0000 52135.2779 -109491.8053 299.6222 -161627.0832 -109135.3546 299.1162 97.1074 121.3710 762138.9195 -15.0713 -15.3050 PRESSURE: 4141800 -132.546 -175.911 -61.0253 -175.911 44.1939 54.5043 -61.0242 54.5049 38.5199 GPRESSURE: 4141800 -77.4984 -227.245 -2.91947 -162.275 94.2514 17.1532 2.40224 74.2846 14.8517 PRESSAVG: 4141800 -12.9878 -28.0097 17.7369 -28.0098 1.78114 -56.6759 17.7369 -56.676 21.0084 GPRESSAVG: 4141800 -13.8985 -30.5862 18.6913 -25.1724 3.78616 -54.9684 17.9628 -58.5939 19.6905 TIMING: 4141800 CPU: 13093.4, 0.0031548/step Wall: 13093.4, 0.0031548/step, 0.75207 hours remaining, 236.355469 MB of memory in use. ENERGY: 4141800 4047.7209 20409.5182 14472.4001 258.3386 -203616.6555 2629.1713 0.0000 0.0000 52342.9077 -109456.5987 300.8154 -161799.5064 -109101.3952 299.3812 -16.6108 10.5349 762529.0474 3.2673 3.1927 PRESSURE: 4142000 -32.8942 -109.1 147.355 -109.1 605.994 170.819 147.356 170.819 378.371 GPRESSURE: 4142000 72.6484 -133.827 78.7654 -65.173 577.029 216.494 243.913 -2.93634 381.46 PRESSAVG: 4142000 -33.3409 -62.0529 -3.51987 -62.0529 15.8379 -3.10114 -3.51981 -3.10112 3.36769 GPRESSAVG: 4142000 -33.2046 -59.9715 -3.48102 -62.5054 14.8801 -2.5086 -3.97112 -4.39547 4.385 TIMING: 4142000 CPU: 13094, 0.00315909/step Wall: 13094, 0.00315909/step, 0.752917 hours remaining, 236.355469 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: 4142000 3940.6425 20543.7696 14518.3349 245.5813 -203631.7738 2746.2558 0.0000 0.0000 52185.2389 -109451.9508 299.9093 -161637.1897 -109094.3662 299.6836 317.1568 343.7126 760249.6496 -4.7118 -4.6465 PRESSURE: 4142200 90.4756 -462.86 137.449 -462.86 -154.18 -56.53 137.449 -56.5289 146.86 GPRESSURE: 4142200 87.7671 -265.136 98.4827 -369.039 -99.7262 -93.8154 88.7943 -60.1566 162.956 PRESSAVG: 4142200 4.00397 -25.0752 21.4543 -25.0752 27.3118 -31.2064 21.4543 -31.2064 -7.9792 GPRESSAVG: 4142200 5.00112 -23.3355 20.8292 -27.2873 27.7371 -33.5176 20.94 -31.0118 -8.52947 TIMING: 4142200 CPU: 13094.6, 0.00318682/step Wall: 13094.6, 0.0031868/step, 0.759345 hours remaining, 236.355469 MB of memory in use. ENERGY: 4142200 3949.7163 20655.7200 14504.2984 248.8539 -203321.7790 2488.3468 0.0000 0.0000 52125.2717 -109349.5719 299.5647 -161474.8436 -108985.0658 299.6846 27.7184 50.3325 762181.6511 7.7788 8.0696 PRESSURE: 4142400 32.9619 57.5503 73.5961 57.5492 63.3161 60.7912 73.5948 60.791 -280.923 GPRESSURE: 4142400 25.836 74.6594 215.217 -37.9421 95.9284 185.179 134.832 24.6672 -223.474 PRESSAVG: 4142400 1.7037 35.4507 30.1154 35.4507 -1.04321 -49.0794 30.1154 -49.0795 -9.46445 GPRESSAVG: 4142400 -0.407131 34.224 30.609 34.1159 -0.251264 -48.5748 30.449 -47.6107 -8.81372 TIMING: 4142400 CPU: 13095.3, 0.00316877/step Wall: 13095.3, 0.00316879/step, 0.754877 hours remaining, 236.355469 MB of memory in use. ENERGY: 4142400 3996.2653 20599.8314 14502.3220 240.5510 -203812.3693 2891.6201 0.0000 0.0000 52328.7092 -109253.0703 300.7338 -161581.7795 -108880.7244 300.1202 -61.5483 -33.9031 761441.5688 -2.9347 -3.1574 PRESSURE: 4142600 -213.587 -35.5729 14.2226 -35.5733 77.5022 -62.6753 14.223 -62.6759 -190.958 GPRESSURE: 4142600 -175.203 -45.3787 118.251 23.2742 144.509 -170.877 -14.7971 -11.6187 -211.112 PRESSAVG: 4142600 -34.9997 17.5845 -9.13555 17.5846 15.5577 -10.9892 -9.13559 -10.9892 -6.35267 GPRESSAVG: 4142600 -35.3331 15.175 -8.74745 20.1118 16.3158 -11.5582 -9.61194 -11.7892 -6.62702 TIMING: 4142600 CPU: 13095.9, 0.00319271/step Wall: 13095.9, 0.00319271/step, 0.760397 hours remaining, 236.355469 MB of memory in use. ENERGY: 4142600 3996.4532 20681.3317 14507.5638 259.0805 -203101.1537 2574.8819 0.0000 0.0000 52130.1424 -108951.7002 299.5926 -161081.8426 -108596.4848 300.0948 -109.0141 -80.6019 762923.6178 -8.5982 -8.5481 PRESSURE: 4142800 157.887 -85.9088 -180.396 -85.9087 148.322 23.9958 -180.396 23.9959 596.781 GPRESSURE: 4142800 291.599 -134.103 -292.336 -79.0288 121.28 -28.0436 -52.0832 -82.9554 551.982 PRESSAVG: 4142800 -13.7242 19.8767 24.95 19.8766 50.7761 -57.0496 24.95 -57.0496 3.59876 GPRESSAVG: 4142800 -13.0636 19.8009 23.7671 19.7386 49.9393 -55.8642 25.9429 -57.3516 3.59683 TIMING: 4142800 CPU: 13096.6, 0.00320753/step Wall: 13096.6, 0.00320753/step, 0.763748 hours remaining, 236.355469 MB of memory in use. ENERGY: 4142800 4023.4303 20689.1733 14495.5251 247.1747 -203762.7763 3126.4570 0.0000 0.0000 52190.9595 -108990.0564 299.9422 -161181.0159 -108638.5375 300.4093 300.9969 321.6204 761157.6477 13.5502 13.4908 PRESSURE: 4143000 -128.715 88.9125 242.412 88.9114 -291.638 -62.82 242.412 -62.8201 -9.59517 GPRESSURE: 4143000 -114.019 -31.8268 247.34 235.373 -186.776 7.13598 204.269 -243.6 -42.2229 PRESSAVG: 4143000 -3.57867 -48.4738 3.72387 -48.4738 14.8425 -21.3945 3.72382 -21.3945 20.3065 GPRESSAVG: 4143000 -3.99012 -48.0612 4.082 -47.8882 14.4065 -21.7607 2.57659 -22.5089 20.4125 TIMING: 4143000 CPU: 13097.2, 0.00320049/step Wall: 13097.2, 0.00320049/step, 0.761895 hours remaining, 236.355469 MB of memory in use. ENERGY: 4143000 4009.6342 20512.5319 14538.7018 253.9836 -203426.9057 2685.3540 0.0000 0.0000 52249.5939 -109177.1062 300.2791 -161426.7001 -108807.6686 300.1345 -143.3158 -114.3393 762403.8648 10.5234 10.2763 PRESSURE: 4143200 116.776 -174.678 91.2433 -174.679 -26.5303 63.7947 91.2421 63.7947 -162.215 GPRESSURE: 4143200 201.917 -156.563 75.5928 -81.9229 23.5908 61.7158 129.563 24.951 -220.064 PRESSAVG: 4143200 51.1771 0.595612 28.4886 0.595608 -55.8536 4.98791 28.4887 4.98789 -6.21763 GPRESSAVG: 4143200 50.4691 0.840601 29.1117 0.693938 -55.6441 5.34744 27.9863 5.02644 -6.24253 TIMING: 4143200 CPU: 13097.8, 0.00316914/step Wall: 13097.8, 0.00316914/step, 0.754255 hours remaining, 236.355469 MB of memory in use. ENERGY: 4143200 4024.6361 20687.3150 14458.1215 253.3583 -203840.8280 2992.7530 0.0000 0.0000 52164.8743 -109259.7698 299.7922 -161424.6441 -108904.0130 300.1583 -23.9900 1.8147 762581.9729 -3.6314 -3.8059 PRESSURE: 4143400 -48.7371 -18.4061 -139.408 -18.4058 256.442 230.748 -139.408 230.748 168.427 GPRESSURE: 4143400 17.4878 83.6134 -111.431 68.0417 351.875 208.993 -112.191 155.905 112.323 PRESSAVG: 4143400 -28.2772 -24.3757 43.825 -24.3757 14.4994 -20.0458 43.825 -20.0457 15.1345 GPRESSAVG: 4143400 -27.6061 -23.7964 44.3133 -24.1052 14.7985 -20.9783 43.4248 -20.4978 14.891 TIMING: 4143400 CPU: 13098.5, 0.00316186/step Wall: 13098.5, 0.00316186/step, 0.752346 hours remaining, 236.355469 MB of memory in use. ENERGY: 4143400 4047.1695 20482.8620 14514.9709 251.6782 -203554.7284 2605.4844 0.0000 0.0000 52049.3115 -109603.2518 299.1281 -161652.5634 -109245.6023 299.4276 125.3773 160.5617 760066.1310 0.4522 0.6945 PRESSURE: 4143600 -211.838 -80.3872 -288.502 -80.3875 -45.7087 -386.511 -288.501 -386.512 -287.178 GPRESSURE: 4143600 -196.902 0.21004 -333.747 -54.3021 -39.2064 -426.312 -138.144 -353.237 -251.056 PRESSAVG: 4143600 -10.1692 -3.5811 -30.0122 -3.58116 2.24747 -55.5798 -30.0122 -55.5798 8.29274 GPRESSAVG: 4143600 -9.12548 -7.21422 -30.1623 -3.05826 0.840309 -53.9513 -27.703 -53.8214 8.19713 TIMING: 4143600 CPU: 13099.1, 0.0031714/step Wall: 13099.1, 0.0031714/step, 0.754441 hours remaining, 236.355469 MB of memory in use. ENERGY: 4143600 3979.5523 20544.9924 14514.6319 230.6786 -203578.9940 2646.2326 0.0000 0.0000 52049.5824 -109613.3238 299.1297 -161662.9062 -109241.6702 298.8872 -181.5748 -162.3882 759838.3093 0.1237 -0.0293 PRESSURE: 4143800 21.3358 145.109 57.7466 145.108 -99.899 -269.364 57.7468 -269.363 99.0145 GPRESSURE: 4143800 70.9035 149.255 114.048 79.6036 -58.2909 -312.966 -87.6917 -268.437 81.8133 PRESSAVG: 4143800 41.3151 -11.8727 66.5431 -11.8727 -12.4156 -57.8562 66.5431 -57.8561 1.38253 GPRESSAVG: 4143800 41.4695 -9.65467 66.8882 -13.0851 -11.9719 -58.7546 65.014 -57.8986 0.686932 TIMING: 4143800 CPU: 13099.7, 0.003196/step Wall: 13099.7, 0.003196/step, 0.760114 hours remaining, 236.355469 MB of memory in use. ENERGY: 4143800 4077.2023 20773.2987 14398.1252 235.7448 -203517.0563 2870.2882 0.0000 0.0000 51786.8581 -109375.5390 297.6198 -161162.3971 -109013.1157 299.6409 6.8171 31.4753 761240.3953 10.0940 10.0615 PRESSURE: 4144000 -63.9608 100.477 90.2708 100.477 114.278 291.407 90.271 291.408 151.108 GPRESSURE: 4144000 -124.787 -41.4354 61.7328 119.676 232.362 259.635 37.2694 241.467 182.719 PRESSAVG: 4144000 8.26406 0.384304 1.82952 0.384344 -11.7491 30.9621 1.82952 30.9622 -2.19835 GPRESSAVG: 4144000 8.40164 -0.214887 -0.39936 0.63707 -12.7886 30.4332 3.95687 30.2029 -1.59625 TIMING: 4144000 CPU: 13100.4, 0.00316522/step Wall: 13100.4, 0.00316522/step, 0.75262 hours remaining, 236.355469 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: 4144000 3955.9113 20697.2376 14526.0411 246.0118 -203877.5024 3017.7795 0.0000 0.0000 52022.1940 -109412.3271 298.9723 -161434.5211 -109036.5439 299.4835 67.1418 96.7650 761874.6215 -1.8945 -1.9944 PRESSURE: 4144200 -116.637 -64.1345 22.6744 -64.1335 -381.287 68.3679 22.6739 68.3683 -302.105 GPRESSURE: 4144200 -67.7503 -126.037 17.8469 -241.294 -347.43 -71.5013 4.54886 95.7114 -291.203 PRESSAVG: 4144200 -53.036 48.1727 81.5579 48.1727 34.8934 55.442 81.5579 55.442 -16.4342 GPRESSAVG: 4144200 -53.7094 47.4691 83.1761 46.3683 35.736 54.1286 77.8452 56.7282 -16.5485 TIMING: 4144200 CPU: 13101, 0.00315963/step Wall: 13101, 0.00315963/step, 0.751115 hours remaining, 236.355469 MB of memory in use. ENERGY: 4144200 4025.7429 20392.0640 14482.2190 245.9434 -203602.9278 2585.2225 0.0000 0.0000 52257.5027 -109614.2335 300.3246 -161871.7361 -109251.5707 299.4612 -266.6764 -235.4609 762234.2060 -11.5256 -11.5073 LDB: ============= START OF LOAD BALANCING ============== 13113.5 LDB: ============== END OF LOAD BALANCING =============== 13113.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13113.5 LDB: ============= START OF LOAD BALANCING ============== 13113.9 LDB: Largest compute 7058 load 0.032994 is 16.9% of average load 0.195543 LDB: Average compute 0.004386 is 2.2% of average load 0.195543 LDB: TIME 13113.9 LOAD: AVG 0.195543 MAX 0.213439 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.348 MB LDB: TIME 13113.9 LOAD: AVG 0.195543 MAX 0.213439 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.383 MB LDB: TIME 13113.9 LOAD: AVG 0.195543 MAX 0.213439 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.383 MB LDB: ============== END OF LOAD BALANCING =============== 13113.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13113.9 PRESSURE: 4144400 121.246 -0.500667 -80.9174 -0.501326 42.7581 164.148 -80.9172 164.147 153.371 GPRESSURE: 4144400 142.286 -2.9757 -68.703 137.662 13.4843 166.524 -64.8741 37.0952 246.106 PRESSAVG: 4144400 -22.0654 -37.0619 -9.94717 -37.0619 -53.3693 41.4421 -9.94721 41.4421 -3.82796 GPRESSAVG: 4144400 -22.4278 -34.4471 -10.1771 -36.8721 -53.6895 43.9514 -6.5688 40.6748 -2.79087 TIMING: 4144400 CPU: 13101.7, 0.00324742/step Wall: 13101.7, 0.00324742/step, 0.771804 hours remaining, 236.753906 MB of memory in use. ENERGY: 4144400 4004.8686 20588.2548 14365.4129 246.9547 -203569.3465 2612.7313 0.0000 0.0000 52120.2739 -109630.8503 299.5359 -161751.1242 -109266.7163 298.7526 105.7916 133.9590 763373.1875 -26.4209 -26.3027 PRESSURE: 4144600 -104.784 52.2615 -200.447 52.2614 -138.353 81.9584 -200.447 81.9578 202.772 GPRESSURE: 4144600 -119.807 114.131 -122.351 23.7884 -36.892 82.9101 -111.221 -0.949877 190.709 PRESSAVG: 4144600 31.3585 -21.6554 0.750797 -21.6554 14.3469 1.21741 0.750843 1.21742 21.4927 GPRESSAVG: 4144600 30.9476 -22.0566 0.615864 -20.6354 14.5604 -1.0825 -1.29669 1.20349 21.4563 TIMING: 4144600 CPU: 13102.3, 0.00319773/step Wall: 13102.3, 0.00319773/step, 0.759816 hours remaining, 236.957031 MB of memory in use. ENERGY: 4144600 3998.9434 20783.5675 14511.3384 258.7691 -203594.3580 2613.1336 0.0000 0.0000 52060.6187 -109367.9874 299.1931 -161428.6061 -109016.0369 299.3436 -13.4547 11.3368 762362.8933 22.3994 22.3215 PRESSURE: 4144800 132.115 135.542 -245.719 135.543 -45.3687 -140.096 -245.72 -140.095 100.207 GPRESSURE: 4144800 122.384 -0.196307 -166.278 100.17 -11.7202 -84.0933 -345.999 -175.495 160.766 PRESSAVG: 4144800 22.7302 -4.75425 -10.3006 -4.75425 -53.1017 -1.96834 -10.3005 -1.96833 4.47192 GPRESSAVG: 4144800 21.8946 -5.87249 -11.832 -4.22774 -51.8033 -1.03768 -10.3777 0.00444022 3.60713 TIMING: 4144800 CPU: 13102.9, 0.00317934/step Wall: 13102.9, 0.00317934/step, 0.75527 hours remaining, 236.957031 MB of memory in use. ENERGY: 4144800 4053.5234 20705.0155 14474.4101 242.4676 -204180.5765 3036.4691 0.0000 0.0000 52129.9698 -109538.7210 299.5917 -161668.6908 -109176.7649 299.3517 62.3176 90.4765 760578.3557 -8.6332 -8.7672 PRESSURE: 4145000 -372.968 50.4129 230.564 50.4122 -194.256 -80.7637 230.564 -80.764 167.02 GPRESSURE: 4145000 -316.009 70.6246 286.31 73.6009 -153.392 -50.8728 194.092 -68.7539 129.09 PRESSAVG: 4145000 78.6874 47.0281 -51.4123 47.0281 -45.8863 37.0526 -51.4123 37.0526 2.55628 GPRESSAVG: 4145000 78.8299 49.6826 -50.0504 45.1144 -46.4126 38.3138 -50.6758 34.3387 2.90043 TIMING: 4145000 CPU: 13103.6, 0.00315994/step Wall: 13103.6, 0.00315994/step, 0.750485 hours remaining, 236.957031 MB of memory in use. ENERGY: 4145000 4008.8608 20525.3234 14542.5629 225.0526 -203654.8901 2676.0558 0.0000 0.0000 51975.1967 -109701.8380 298.7022 -161677.0346 -109334.7067 299.5613 -133.4013 -113.4371 762804.6150 11.7858 11.7726 PRESSURE: 4145200 -427.726 -14.7738 -9.33234 -14.7729 -96.1002 -133.423 -9.33197 -133.425 38.9608 GPRESSURE: 4145200 -331.792 17.6984 -56.1944 67.0412 -67.8781 -211.542 6.71788 -69.552 -1.54899 PRESSAVG: 4145200 24.3025 -17.8113 -57.5807 -17.8113 -61.6353 17.8732 -57.5807 17.8731 -1.45102 GPRESSAVG: 4145200 25.0874 -20.0446 -56.9024 -16.8316 -60.8652 17.0244 -57.6961 19.145 -2.85383 TIMING: 4145200 CPU: 13104.2, 0.00318111/step Wall: 13104.2, 0.00318111/step, 0.755336 hours remaining, 236.957031 MB of memory in use. ENERGY: 4145200 3970.9205 20657.7316 14517.8956 247.1998 -203571.3449 2422.3100 0.0000 0.0000 52001.0052 -109754.2823 298.8505 -161755.2875 -109393.4701 298.7686 -161.6218 -133.7398 761680.1682 -12.9279 -12.8772 PRESSURE: 4145400 -176.375 -62.2564 -71.538 -62.2564 -49.0613 31.1139 -71.5372 31.1135 -109.511 GPRESSURE: 4145400 -145.593 -72.6694 -51.3172 -4.87849 49.1079 61.8856 -2.03989 -118.536 -160.531 PRESSAVG: 4145400 4.92246 -30.2618 -39.3652 -30.2617 -22.215 -4.39584 -39.3652 -4.39586 -12.2742 GPRESSAVG: 4145400 5.58574 -31.3938 -41.9296 -28.3074 -23.1046 -4.40636 -38.0564 -4.7306 -12.0668 TIMING: 4145400 CPU: 13104.8, 0.00318381/step Wall: 13104.8, 0.00318381/step, 0.755801 hours remaining, 236.957031 MB of memory in use. ENERGY: 4145400 3968.7109 20516.7989 14509.1792 249.5231 -203397.6766 2444.1086 0.0000 0.0000 52019.9486 -109689.4072 298.9594 -161709.3559 -109318.0589 298.9940 -111.6492 -85.6722 761029.8994 -9.8556 -9.8619 PRESSURE: 4145600 108.412 174.505 -49.9916 174.504 -223.642 82.1226 -49.992 82.1223 94.1678 GPRESSURE: 4145600 117.648 55.0432 -125.346 78.2484 -124.333 76.7337 -83.5217 130.026 75.1856 PRESSAVG: 4145600 5.36103 -37.0956 -16.4092 -37.0955 22.1533 7.50417 -16.4093 7.50418 15.8378 GPRESSAVG: 4145600 5.17411 -34.719 -14.011 -40.5645 22.8237 7.99952 -18.0504 6.2714 15.7608 TIMING: 4145600 CPU: 13105.5, 0.00319186/step Wall: 13105.5, 0.00319186/step, 0.757535 hours remaining, 236.957031 MB of memory in use. ENERGY: 4145600 3990.6997 20506.7934 14398.4337 230.4300 -203561.9027 2662.2735 0.0000 0.0000 51867.9095 -109905.3629 298.0856 -161773.2724 -109543.2238 298.9008 -7.0209 22.8333 761798.4874 14.4507 14.5862 PRESSURE: 4145800 -149.958 -191.519 115.674 -191.519 -57.1225 71.2143 115.674 71.2156 -7.25896 GPRESSURE: 4145800 -144.697 -228.735 144.361 -126.936 18.7629 150.863 55.2185 328.001 3.15765 PRESSAVG: 4145800 -0.463427 -34.2585 14.1745 -34.2585 -4.34942 50.5945 14.1745 50.5945 13.4112 GPRESSAVG: 4145800 -2.22218 -34.8957 14.3907 -33.1922 -3.36142 50.7302 13.4143 51.9711 14.0385 TIMING: 4145800 CPU: 13106.1, 0.00320099/step Wall: 13106.1, 0.00320099/step, 0.759524 hours remaining, 236.957031 MB of memory in use. ENERGY: 4145800 4026.1435 20660.5128 14404.7788 237.5644 -203986.8685 2789.5028 0.0000 0.0000 51990.3490 -109878.0172 298.7893 -161868.3662 -109497.6618 299.0528 -71.4465 -40.9254 762171.2692 2.8661 2.8183 PRESSURE: 4146000 281.924 -102.807 23.3503 -102.807 142.191 12.3915 23.3514 12.3928 230.26 GPRESSURE: 4146000 318.241 -11.9807 165.928 56.236 206.569 -37.4631 -35.0583 -3.43177 222.349 PRESSAVG: 4146000 2.65132 -33.6717 -16.3216 -33.6717 21.1314 -27.9716 -16.3216 -27.9716 -10.0653 GPRESSAVG: 4146000 4.23431 -33.88 -17.607 -32.5723 19.9625 -28.5168 -15.1675 -28.2791 -9.9845 TIMING: 4146000 CPU: 13106.7, 0.00316128/step Wall: 13106.7, 0.00316128/step, 0.749925 hours remaining, 236.957031 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: 4146000 4043.6595 20593.1095 14513.1892 233.4420 -203867.3528 2815.6484 0.0000 0.0000 51848.3781 -109819.9260 297.9733 -161668.3042 -109466.0784 298.4347 218.1250 249.0529 760499.6666 4.5725 4.7374 PRESSURE: 4146200 -329.984 -227.235 38.9773 -227.235 -137.638 -92.8922 38.978 -92.8919 124.638 GPRESSURE: 4146200 -265.639 -92.8621 -48.6223 -226.184 -25.9432 -178.626 197.132 -99.0362 40.5193 PRESSAVG: 4146200 -24.3757 -0.477028 20.9926 -0.476998 28.3908 17.7513 20.9926 17.7513 -19.1758 GPRESSAVG: 4146200 -23.8531 -0.714956 19.4314 -0.944091 29.373 16.4746 20.5332 17.9707 -20.6307 TIMING: 4146200 CPU: 13107.4, 0.00317007/step Wall: 13107.4, 0.00317007/step, 0.751836 hours remaining, 236.957031 MB of memory in use. ENERGY: 4146200 3968.8008 20509.7035 14477.0255 246.4728 -203436.7584 2469.3482 0.0000 0.0000 51924.9459 -109840.4616 298.4134 -161765.4076 -109488.5526 298.8749 -114.3280 -83.6875 761620.8078 -5.0536 -5.0369 PRESSURE: 4146400 129.142 -29.5544 -2.69773 -29.5531 259.17 62.1188 -2.69716 62.1187 308.406 GPRESSURE: 4146400 285.615 52.1195 73.8931 -64.5719 238.491 24.1396 -49.1386 44.8503 230.16 PRESSAVG: 4146400 -22.6415 -50.5694 62.3958 -50.5693 39.3463 -0.207134 62.3959 -0.20713 7.67742 GPRESSAVG: 4146400 -24.7023 -50.4854 65.0909 -51.9501 38.5342 -0.161446 61.5556 -0.746567 9.76821 TIMING: 4146400 CPU: 13108, 0.00319499/step Wall: 13108, 0.003195/step, 0.757569 hours remaining, 236.957031 MB of memory in use. ENERGY: 4146400 3970.5377 20543.5037 14458.8478 233.2831 -204077.8819 3009.6331 0.0000 0.0000 51880.8124 -109981.2640 298.1597 -161862.0764 -109624.3359 298.5434 232.2393 251.4219 759372.6496 8.1274 7.8667 PRESSURE: 4146600 458.004 -180.214 156.862 -180.214 303.467 116.863 156.862 116.864 140.667 GPRESSURE: 4146600 483.624 -185.971 192.216 -112.906 369.868 160.66 78.4953 -2.24257 115.864 PRESSAVG: 4146600 -40.6871 -23.1184 -17.3161 -23.1183 20.6643 16.8093 -17.316 16.8093 -1.00169 GPRESSAVG: 4146600 -39.328 -22.7352 -17.6542 -22.8251 21.4444 18.6835 -15.6464 14.6495 -3.19418 TIMING: 4146600 CPU: 13108.6, 0.0031544/step Wall: 13108.6, 0.0031544/step, 0.747768 hours remaining, 236.957031 MB of memory in use. ENERGY: 4146600 3971.7624 20488.6112 14485.4054 247.3387 -204049.4185 2870.9590 0.0000 0.0000 52120.8816 -109864.4601 299.5394 -161985.3418 -109508.9846 298.2809 300.7127 323.1186 760006.0937 -7.0082 -7.0259 PRESSURE: 4146800 -24.7437 -308.884 -105.533 -308.884 -243.605 -63.0758 -105.532 -63.0757 -504.894 GPRESSURE: 4146800 -53.2676 -284.937 -200.174 -304.019 -188.133 -207.32 -2.72702 -201.923 -449.755 PRESSAVG: 4146800 -26.3389 -49.2611 10.7153 -49.2611 38.5002 -37.1231 10.7153 -37.1231 -28.6897 GPRESSAVG: 4146800 -26.756 -47.9651 10.3987 -48.7586 38.6293 -36.9628 9.9376 -36.2802 -28.2258 TIMING: 4146800 CPU: 13109.3, 0.00317445/step Wall: 13109.3, 0.00317445/step, 0.752344 hours remaining, 236.957031 MB of memory in use. ENERGY: 4146800 3956.5921 20430.2750 14471.3465 231.8179 -203533.9362 2748.8724 0.0000 0.0000 51951.3319 -109743.7003 298.5650 -161695.0323 -109378.5417 298.3851 -257.7475 -230.3853 761979.8888 -5.5095 -5.4508 PRESSURE: 4147000 -339.309 164.81 -2.96294 164.81 -116.843 -17.5473 -2.9614 -17.5476 -71.4285 GPRESSURE: 4147000 -351.169 193.939 -32.8977 81.7628 -56.0226 -76.2207 -0.0402776 63.5204 -42.7844 PRESSAVG: 4147000 -3.54588 28.1899 9.05643 28.19 10.5348 0.518073 9.0565 0.518162 15.2173 GPRESSAVG: 4147000 -4.13117 25.5774 8.49059 29.384 11.3279 -0.0950064 9.27771 2.21676 15.1941 TIMING: 4147000 CPU: 13109.9, 0.0032141/step Wall: 13109.9, 0.0032141/step, 0.761564 hours remaining, 236.957031 MB of memory in use. ENERGY: 4147000 3984.8943 20497.6850 14449.5895 233.1731 -203840.8385 2705.1849 0.0000 0.0000 52103.3662 -109866.9455 299.4388 -161970.3117 -109505.7303 298.6967 -175.8601 -149.9919 761421.3695 7.4021 7.4636 PRESSURE: 4147200 -302.122 19.7183 -47.6927 19.7188 -239.945 -118.599 -47.6934 -118.598 -96.0136 GPRESSURE: 4147200 -295.603 -9.72991 -95.9029 -66.0378 -141.279 -157.53 -97.2537 -108.116 -87.6977 PRESSAVG: 4147200 -5.9066 34.36 10.3715 34.36 19.0721 46.6375 10.3715 46.6375 -24.8707 GPRESSAVG: 4147200 -4.18635 34.2237 10.9441 33.8577 17.893 46.4629 11.1768 47.8966 -25.3876 TIMING: 4147200 CPU: 13110.6, 0.00318977/step Wall: 13110.6, 0.00318977/step, 0.75562 hours remaining, 236.957031 MB of memory in use. ENERGY: 4147200 4072.1530 20405.4667 14521.4239 244.4489 -203976.8172 2775.4160 0.0000 0.0000 52052.9549 -109904.9539 299.1490 -161957.9087 -109535.9172 298.2275 -212.6934 -174.8597 759322.1831 -3.9017 -3.8937 PRESSURE: 4147400 -29.1916 -61.2786 91.1785 -61.2794 402.793 -189.295 91.1791 -189.294 131.867 GPRESSURE: 4147400 81.2821 -38.6608 76.6954 52.7557 314.959 -228.456 189.063 -198.71 166.342 PRESSAVG: 4147400 -42.3062 16.408 68.9322 16.408 2.59448 -23.5027 68.9322 -23.5027 21.884 GPRESSAVG: 4147400 -42.8545 17.1623 67.8539 17.9791 3.43238 -25.316 68.2729 -23.8733 21.5076 TIMING: 4147400 CPU: 13111.2, 0.00319605/step Wall: 13111.2, 0.00319605/step, 0.756931 hours remaining, 236.957031 MB of memory in use. ENERGY: 4147400 3960.5537 20487.0784 14523.8248 242.2658 -203714.4328 2716.7743 0.0000 0.0000 51948.6602 -109835.2756 298.5497 -161783.9358 -109467.9859 298.6197 168.4895 187.5279 760231.5942 -5.9426 -5.9715 PRESSURE: 4147600 -341.854 -2.4467 -47.4637 -2.44698 -330.103 -23.255 -47.4634 -23.2558 -72.9395 GPRESSURE: 4147600 -314.938 -2.99116 -74.9531 23.9759 -295.289 12.3669 -148.006 103.952 -53.6737 PRESSAVG: 4147600 -12.1479 -19.041 -15.3232 -19.041 30.8229 44.9172 -15.3233 44.9172 -20.5661 GPRESSAVG: 4147600 -12.1602 -20.1352 -14.9079 -20.3391 29.4401 48.9449 -16.1336 43.5668 -19.4369 TIMING: 4147600 CPU: 13111.8, 0.00317654/step Wall: 13111.8, 0.00317654/step, 0.752134 hours remaining, 236.957031 MB of memory in use. ENERGY: 4147600 3977.8083 20501.1010 14409.4776 240.6820 -203125.9003 2473.1011 0.0000 0.0000 51772.7598 -109750.9704 297.5388 -161523.7302 -109390.5158 298.5775 -248.2988 -221.3000 760974.3311 -0.6303 -0.7190 PRESSURE: 4147800 13.9491 -0.551111 205.804 -0.551878 64.8913 -7.91504 205.803 -7.91655 429.148 GPRESSURE: 4147800 67.7203 0.157626 211.628 82.6011 67.2959 -42.2236 125.493 16.8141 441.746 PRESSAVG: 4147800 12.7002 -7.65943 -11.4908 -7.65942 7.3015 22.0162 -11.4908 22.0162 -18.6234 GPRESSAVG: 4147800 11.9019 -7.44994 -11.1142 -6.83841 7.67907 18.9683 -12.1834 22.9687 -18.336 TIMING: 4147800 CPU: 13112.5, 0.00316401/step Wall: 13112.5, 0.00316401/step, 0.748991 hours remaining, 236.957031 MB of memory in use. ENERGY: 4147800 4025.1654 20373.1213 14468.3376 239.8294 -203477.7470 2426.3351 0.0000 0.0000 52159.4849 -109785.4733 299.7613 -161944.9581 -109413.7096 298.2755 169.3294 192.2539 759950.3715 0.4594 0.4150 PRESSURE: 4148000 84.0585 70.489 -34.0795 70.4895 -144.703 37.9294 -34.079 37.9293 167.847 GPRESSURE: 4148000 86.072 90.1494 -46.3782 45.4839 -115.675 105.501 -40.8438 -41.4816 219.555 PRESSAVG: 4148000 -41.0732 21.5784 -9.11825 21.5785 5.46764 44.0117 -9.11824 44.0118 -5.17201 GPRESSAVG: 4148000 -40.4753 21.5587 -11.0095 21.059 4.51799 45.094 -8.73425 45.1126 -4.68013 TIMING: 4148000 CPU: 13113.1, 0.00319534/step Wall: 13113.1, 0.00319534/step, 0.756231 hours remaining, 236.957031 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: 4148000 3956.1887 20496.1155 14521.9834 246.2593 -203085.1599 2292.0216 0.0000 0.0000 52058.1788 -109514.4126 299.1791 -161572.5914 -109152.4164 298.7503 35.7341 63.3174 760071.3906 -13.5925 -13.5458 PRESSURE: 4148200 -192.553 -18.9727 188.828 -18.9721 115.774 177.929 188.829 177.929 -244.479 GPRESSURE: 4148200 -174.047 -83.0856 207.686 -124.5 118.663 212.506 222.838 46.9852 -148.958 PRESSAVG: 4148200 -6.97022 21.2278 2.8266 21.2278 50.1696 16.8232 2.82651 16.8232 -5.14318 GPRESSAVG: 4148200 -6.57893 22.0323 4.09258 21.408 51.5183 14.7672 2.95106 16.3712 -6.70607 TIMING: 4148200 CPU: 13113.8, 0.00319805/step Wall: 13113.8, 0.00319805/step, 0.756695 hours remaining, 236.957031 MB of memory in use. ENERGY: 4148200 3975.2480 20435.6401 14494.5841 230.0386 -204002.3457 2992.6218 0.0000 0.0000 52402.9098 -109471.3032 301.1602 -161874.2130 -109111.5918 299.6862 -107.0861 -68.1141 758624.6800 12.6854 12.7444 LDB: ============= START OF LOAD BALANCING ============== 13126.3 LDB: ============== END OF LOAD BALANCING =============== 13126.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13126.3 LDB: ============= START OF LOAD BALANCING ============== 13126.6 LDB: Largest compute 7067 load 0.033032 is 16.9% of average load 0.195611 LDB: Average compute 0.004391 is 2.2% of average load 0.195611 LDB: TIME 13126.6 LOAD: AVG 0.195611 MAX 0.212788 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.984 MB LDB: TIME 13126.6 LOAD: AVG 0.195611 MAX 0.212788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.984 MB LDB: TIME 13126.6 LOAD: AVG 0.195611 MAX 0.212788 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.984 MB LDB: ============== END OF LOAD BALANCING =============== 13126.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13126.6 PRESSURE: 4148400 174.018 -76.0352 266.043 -76.0364 -195.432 -73.9805 266.044 -73.9807 58.8474 GPRESSURE: 4148400 131.47 15.048 224.142 -220.305 -121.559 -103.551 171.463 -101.716 125.866 PRESSAVG: 4148400 3.25684 -4.54053 75.0129 -4.54062 -6.81017 -13.5442 75.0129 -13.5442 7.49306 GPRESSAVG: 4148400 2.75331 -6.49912 74.43 -3.41707 -6.48571 -11.6936 77.1967 -13.5439 7.33544 TIMING: 4148400 CPU: 13114.4, 0.00327218/step Wall: 13114.4, 0.00327217/step, 0.774051 hours remaining, 236.937500 MB of memory in use. ENERGY: 4148400 4035.2648 20430.0343 14478.6019 251.5128 -203438.0250 2561.6875 0.0000 0.0000 52037.5924 -109643.3313 299.0608 -161680.9237 -109297.3803 299.2015 12.4780 45.2589 758441.2237 1.3132 1.2010 PRESSURE: 4148600 59.8204 -19.3417 -198.362 -19.3422 -144.226 -112.696 -198.362 -112.696 36.5999 GPRESSURE: 4148600 76.0367 -120.314 -143.434 -118.526 -115.133 -122.64 -133.38 -199.763 86.9608 PRESSAVG: 4148600 -39.8483 6.3946 -15.841 6.39457 9.57636 -68.3205 -15.841 -68.3206 2.74591 GPRESSAVG: 4148600 -39.4772 8.54412 -15.2932 5.25716 8.77244 -69.9959 -16.8333 -66.556 3.06608 TIMING: 4148600 CPU: 13115, 0.00318678/step Wall: 13115, 0.00318678/step, 0.753673 hours remaining, 237.046875 MB of memory in use. ENERGY: 4148600 4029.6757 20477.6461 14459.7457 248.6614 -203407.3182 2540.6741 0.0000 0.0000 51962.4546 -109688.4605 298.6289 -161650.9151 -109342.3508 298.8706 -15.9352 15.9548 759126.2902 -9.1754 -9.2129 PRESSURE: 4148800 -16.3406 81.1165 22.6485 81.1156 -7.2485 -141.855 22.6496 -141.854 -168.817 GPRESSURE: 4148800 -9.0205 65.397 -9.56204 192.893 23.4562 -88.1799 -95.5882 -225.226 -154.583 PRESSAVG: 4148800 -4.11212 2.76193 -23.1602 2.76186 32.4468 -49.7597 -23.1601 -49.7598 -7.69629 GPRESSAVG: 4148800 -5.72465 1.91164 -24.1896 2.94906 32.0064 -46.8478 -23.8625 -51.3986 -5.86359 TIMING: 4148800 CPU: 13115.7, 0.00319303/step Wall: 13115.7, 0.00319303/step, 0.754974 hours remaining, 237.046875 MB of memory in use. ENERGY: 4148800 3953.7699 20598.4373 14431.7835 250.6669 -203535.6006 2508.0165 0.0000 0.0000 52133.6475 -109659.2790 299.6128 -161792.9265 -109289.9952 299.0823 -64.1355 -46.7157 760110.7584 6.8795 6.8060 PRESSURE: 4149000 34.4756 118.584 -179.395 118.585 -117.682 6.927 -179.395 6.92659 180.804 GPRESSURE: 4149000 44.6957 130.931 -239.046 -106.286 -66.3675 3.02972 -61.2848 -89.641 199.809 PRESSAVG: 4149000 -22.515 20.4161 17.3045 20.4161 -12.1079 -19.9064 17.3046 -19.9063 -3.01955 GPRESSAVG: 4149000 -21.501 19.627 18.1428 19.7804 -11.5782 -19.3366 18.54 -21.9732 -4.9504 TIMING: 4149000 CPU: 13116.3, 0.00319866/step Wall: 13116.3, 0.00319866/step, 0.756128 hours remaining, 237.257812 MB of memory in use. ENERGY: 4149000 3959.2202 20619.7826 14498.9687 246.0210 -203336.7174 2572.5311 0.0000 0.0000 51749.4704 -109690.7235 297.4049 -161440.1939 -109323.7745 298.6479 32.5325 59.3792 760449.1883 -12.5475 -12.6765 PRESSURE: 4149200 36.3687 109.62 -20.8008 109.62 -21.0262 -138.461 -20.8007 -138.461 -574.122 GPRESSURE: 4149200 48.2353 162.346 18.0047 183.142 45.6482 -158.103 44.5417 68.2676 -575.399 PRESSAVG: 4149200 3.65368 -4.11353 -6.68421 -4.11363 -26.386 -12.893 -6.68423 -12.893 -15.46 GPRESSAVG: 4149200 3.27408 -5.40625 -7.51003 -1.7996 -26.9102 -14.8402 -5.82877 -11.527 -14.8013 TIMING: 4149200 CPU: 13117, 0.00319004/step Wall: 13117, 0.00319004/step, 0.753912 hours remaining, 237.257812 MB of memory in use. ENERGY: 4149200 3948.8721 20646.3915 14530.1883 238.8573 -203256.4859 2381.9621 0.0000 0.0000 52054.8514 -109455.3633 299.1599 -161510.2147 -109091.6156 299.2998 -186.2598 -160.5053 761923.4105 -12.7308 -12.8125 PRESSURE: 4149400 -21.7773 -5.74912 -8.21681 -5.7494 199.809 127.267 -8.21631 127.268 -299.7 GPRESSURE: 4149400 -21.3402 -1.02824 -100.134 -53.7404 180.569 162.276 -55.7557 155.022 -197.77 PRESSAVG: 4149400 9.31324 -31.862 -50.4131 -31.862 -45.8526 -21.862 -50.4131 -21.8619 17.2433 GPRESSAVG: 4149400 9.40378 -29.5889 -50.3502 -33.121 -46.1597 -21.2462 -52.3323 -20.8548 17.6037 TIMING: 4149400 CPU: 13117.6, 0.00319634/step Wall: 13117.6, 0.00319634/step, 0.755224 hours remaining, 237.257812 MB of memory in use. ENERGY: 4149400 4026.0806 20632.5919 14459.5062 262.2468 -203030.5832 2516.8999 0.0000 0.0000 51727.0970 -109406.1607 297.2763 -161133.2578 -109048.9172 299.2864 -40.5559 -12.8471 762102.7157 -6.4320 -6.3841 PRESSURE: 4149600 -88.6933 3.0128 -97.8441 3.01291 70.1452 -209.159 -97.8441 -209.16 -273.982 GPRESSURE: 4149600 -5.63765 -2.20437 -17.6477 -35.5555 34.1277 -230.942 -56.4168 -208.719 -244.099 PRESSAVG: 4149600 -30.8502 -41.5369 3.20765 -41.5369 59.2084 -5.4967 3.20767 -5.49664 2.41592 GPRESSAVG: 4149600 -30.2861 -40.2183 2.02993 -41.8722 59.0911 -5.80392 4.74543 -4.96005 1.57546 TIMING: 4149600 CPU: 13118.2, 0.00319032/step Wall: 13118.2, 0.00319033/step, 0.753626 hours remaining, 237.257812 MB of memory in use. ENERGY: 4149600 3996.1721 20505.6339 14556.4552 242.4013 -203523.7057 2658.2236 0.0000 0.0000 52096.0502 -109468.7693 299.3967 -161564.8196 -109104.1040 299.0870 -97.5101 -71.8698 761107.3369 10.2581 10.1268 PRESSURE: 4149800 -171.882 127.657 115.095 127.657 -19.4023 44.0317 115.095 44.0326 -71.1407 GPRESSURE: 4149800 -147.08 91.9607 163.075 99.7456 60.2309 41.6626 30.1644 -51.4819 -92.9007 PRESSAVG: 4149800 -28.8464 39.8083 -43.4846 39.8082 1.3782 -35.5173 -43.4846 -35.5172 -5.66173 GPRESSAVG: 4149800 -29.7575 38.2335 -42.598 40.1006 2.88761 -38.4217 -44.9753 -36.4224 -6.36562 TIMING: 4149800 CPU: 13118.9, 0.00319713/step Wall: 13118.9, 0.00319713/step, 0.755055 hours remaining, 237.257812 MB of memory in use. ENERGY: 4149800 4064.4882 20512.4265 14509.6593 249.1952 -203536.2154 2713.2462 0.0000 0.0000 52112.9597 -109374.2403 299.4939 -161487.2000 -109013.9155 299.4385 -87.4748 -59.9167 761383.4208 -11.0433 -11.0785 PRESSURE: 4150000 -170.869 128.536 -2.11809 128.536 308.165 21.8699 -2.11755 21.8707 88.4577 GPRESSURE: 4150000 -106.26 23.6979 23.6739 56.9184 328.189 3.57824 103.632 127.342 91.0884 PRESSAVG: 4150000 -27.5924 14.8429 -39.3885 14.8429 47.3777 10.8237 -39.3886 10.8236 -27.4954 GPRESSAVG: 4150000 -27.5245 12.5645 -39.4278 15.8949 46.5997 13.1209 -38.7942 10.9168 -27.2406 TIMING: 4150000 CPU: 13119.5, 0.00319323/step Wall: 13119.5, 0.00319323/step, 0.753957 hours remaining, 237.257812 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: 4150000 3979.1816 20406.9006 14510.2412 231.9244 -203349.7486 2694.9494 0.0000 0.0000 52320.2892 -109206.2621 300.6854 -161526.5514 -108829.3875 299.8407 75.2511 104.3390 760713.9918 -2.5700 -2.7218 PRESSURE: 4150200 14.7108 -135.079 -326.728 -135.079 -388.319 -344.021 -326.728 -344.021 -326.613 GPRESSURE: 4150200 -28.9828 -226.54 -287.157 -130.627 -225.893 -341.877 -268.762 -283.807 -346.61 PRESSAVG: 4150200 -20.9841 20.359 -25.4547 20.3591 78.4794 -55.1862 -25.4547 -55.1862 -6.60876 GPRESSAVG: 4150200 -22.4212 23.036 -25.5311 16.2963 79.0738 -56.0124 -25.3185 -55.4369 -5.65654 TIMING: 4150200 CPU: 13120.1, 0.00316716/step Wall: 13120.1, 0.00316716/step, 0.747627 hours remaining, 237.257812 MB of memory in use. ENERGY: 4150200 3928.2375 20614.6813 14461.2148 245.6548 -202805.9503 2260.5098 0.0000 0.0000 52359.1598 -108936.4923 300.9088 -161295.6521 -108581.1569 300.0515 -233.4069 -200.4954 761521.1232 16.9622 16.9987 PRESSURE: 4150400 -18.8379 162.346 135.577 162.347 -89.6422 125.177 135.577 125.178 -84.9523 GPRESSURE: 4150400 58.0286 200.952 191.247 107.576 -29.218 154.98 73.9521 -65.8749 -147.569 PRESSAVG: 4150400 15.9135 41.9308 5.37969 41.9308 -4.36132 7.24646 5.37971 7.24647 27.7375 GPRESSAVG: 4150400 16.4516 41.2542 6.24454 43.1174 -5.07391 9.09136 3.05039 7.68573 27.8803 TIMING: 4150400 CPU: 13120.8, 0.00315826/step Wall: 13120.8, 0.00315826/step, 0.745349 hours remaining, 237.257812 MB of memory in use. ENERGY: 4150400 3963.5005 20461.4773 14541.1463 240.3581 -202745.1346 2335.5782 0.0000 0.0000 52095.1459 -109107.9284 299.3915 -161203.0743 -108743.2111 300.5694 -64.4775 -39.5860 760980.7789 13.0966 13.0860 PRESSURE: 4150600 290.205 -17.9559 222.093 -17.9544 -126.137 -18.6052 222.093 -18.6051 96.0475 GPRESSURE: 4150600 209.625 56.5967 195.788 -25.8412 20.3348 -98.9377 222.885 74.279 111.625 PRESSAVG: 4150600 1.02964 -13.9491 11.5973 -13.9491 -12.871 16.3385 11.5973 16.3385 -19.3631 GPRESSAVG: 4150600 2.07121 -12.9211 10.698 -12.6595 -13.7985 15.3545 12.524 14.9745 -19.3516 TIMING: 4150600 CPU: 13121.4, 0.00317533/step Wall: 13121.4, 0.00317533/step, 0.7492 hours remaining, 237.257812 MB of memory in use. ENERGY: 4150600 3926.1332 20444.5494 14460.2792 250.4590 -203130.5386 2661.9734 0.0000 0.0000 52120.3225 -109266.8218 299.5362 -161387.1444 -108912.0149 299.8621 86.7052 113.8615 762210.7781 -10.4015 -10.3596 PRESSURE: 4150800 209.272 104.92 41.3994 104.92 338.064 -113.753 41.3996 -113.753 98.1409 GPRESSURE: 4150800 264.419 3.62204 143.328 150.593 338.24 -41.4573 -93.8307 57.0542 133.422 PRESSAVG: 4150800 -8.96004 -28.1321 -32.9089 -28.1322 48.786 -14.0336 -32.9089 -14.0336 2.38617 GPRESSAVG: 4150800 -9.55918 -29.2991 -30.6106 -27.9925 49.9989 -13.6378 -35.4431 -13.3177 1.49744 TIMING: 4150800 CPU: 13122, 0.00316841/step Wall: 13122, 0.00316841/step, 0.747392 hours remaining, 237.257812 MB of memory in use. ENERGY: 4150800 3947.2447 20439.0302 14503.2948 252.5629 -203388.5729 2825.0657 0.0000 0.0000 52176.5406 -109244.8340 299.8593 -161421.3745 -108888.0437 299.7698 215.1590 245.3602 760262.4790 14.0707 13.9791 PRESSURE: 4151000 -18.5333 164.986 -52.4741 164.986 -32.5877 -91.157 -52.4743 -91.158 -280.879 GPRESSURE: 4151000 62.6721 189.322 -137.28 193.499 -79.4103 -82.1537 -0.560188 34.6178 -235.013 PRESSAVG: 4151000 -50.2959 50.3149 21.0629 50.315 89.7301 -68.1632 21.0629 -68.1633 9.7726 GPRESSAVG: 4151000 -50.1067 50.6093 19.6 49.0408 90.181 -69.1879 23.8464 -68.211 9.76754 TIMING: 4151000 CPU: 13122.7, 0.00318504/step Wall: 13122.7, 0.00318504/step, 0.751138 hours remaining, 237.257812 MB of memory in use. ENERGY: 4151000 3994.8473 20400.8863 14478.4554 252.5266 -202793.8537 2180.7041 0.0000 0.0000 52058.7885 -109427.6455 299.1826 -161486.4340 -109065.0405 299.7821 -110.6666 -83.9170 760734.1338 16.4022 16.6140 PRESSURE: 4151200 -26.8475 59.7181 -5.10312 59.7177 -72.1351 248.695 -5.10241 248.695 248.303 GPRESSURE: 4151200 129.891 47.5427 -23.8828 180.794 -87.0724 149.279 -28.8351 158.905 182.891 PRESSAVG: 4151200 8.85905 -1.62663 -21.8405 -1.62662 -23.9957 7.14231 -21.8405 7.14229 11.6109 GPRESSAVG: 4151200 10.3251 -3.00761 -22.0057 -1.40083 -25.9565 7.26811 -21.8017 6.54779 12.0145 TIMING: 4151200 CPU: 13123.3, 0.00316718/step Wall: 13123.3, 0.00316718/step, 0.746752 hours remaining, 237.257812 MB of memory in use. ENERGY: 4151200 3972.9654 20315.1492 14545.6701 242.1342 -203824.5872 2881.1669 0.0000 0.0000 52225.1584 -109642.3430 300.1387 -161867.5013 -109277.0274 299.0620 49.7735 75.2367 759881.6016 -1.1753 -1.2056 PRESSURE: 4151400 75.475 -41.1365 -104.023 -41.1358 -176.848 179.715 -104.023 179.715 -317.728 GPRESSURE: 4151400 109.292 -68.4704 -91.4567 -10.1077 -131.499 110.169 -148.054 101.765 -338.588 PRESSAVG: 4151400 48.6155 -0.62015 -21.4953 -0.620044 -12.2992 -48.4176 -21.4953 -48.4176 13.2849 GPRESSAVG: 4151400 46.1802 0.0424444 -22.771 -0.22607 -9.89825 -47.5853 -22.4732 -49.8754 12.9112 TIMING: 4151400 CPU: 13124, 0.00317286/step Wall: 13124, 0.00317286/step, 0.747914 hours remaining, 237.257812 MB of memory in use. ENERGY: 4151400 3944.5508 20435.3759 14500.3992 252.3957 -203447.1594 2415.4401 0.0000 0.0000 52188.0625 -109710.9352 299.9255 -161898.9977 -109343.6431 298.8883 -139.7005 -120.2649 761544.8388 16.5337 16.3977 PRESSURE: 4151600 -114.976 58.5614 -138.51 58.561 58.0744 3.69608 -138.51 3.69614 -10.9116 GPRESSURE: 4151600 -61.4523 98.1896 -79.2636 114.2 69.6681 39.9798 10.29 -24.4269 15.821 PRESSAVG: 4151600 -14.8544 13.4964 -0.0889606 13.4963 2.2897 10.5999 -0.088977 10.5999 5.56003 GPRESSAVG: 4151600 -14.5064 13.9844 -0.154774 13.0746 1.29175 12.1543 1.29674 10.9424 6.32625 TIMING: 4151600 CPU: 13124.6, 0.00317225/step Wall: 13124.6, 0.00317225/step, 0.747593 hours remaining, 237.257812 MB of memory in use. ENERGY: 4151600 3941.9593 20461.8352 14461.1051 246.2050 -203547.6253 2561.7367 0.0000 0.0000 52194.7745 -109680.0097 299.9641 -161874.7841 -109313.5804 299.0210 -22.6045 8.0123 761419.4924 -2.3349 -2.2961 PRESSURE: 4151800 -641.715 -66.4456 101.83 -66.4456 -326.245 -123.248 101.831 -123.249 360.397 GPRESSURE: 4151800 -516.808 -48.3667 85.3843 -94.8947 -322.108 -108.259 149.228 -73.3321 310.329 PRESSAVG: 4151800 -24.4295 -5.50545 2.71717 -5.50551 -47.2277 -31.3299 2.71717 -31.3299 16.2854 GPRESSAVG: 4151800 -23.3946 -4.97409 4.51242 -4.95672 -47.9536 -31.472 0.291676 -30.4235 15.9331 TIMING: 4151800 CPU: 13125.2, 0.00314857/step Wall: 13125.2, 0.00314857/step, 0.741837 hours remaining, 237.257812 MB of memory in use. ENERGY: 4151800 4028.5514 20518.3284 14480.1122 249.1814 -203346.1101 2374.8579 0.0000 0.0000 52007.3922 -109687.6867 298.8872 -161695.0789 -109311.9198 298.7290 -202.5212 -176.1957 761341.7334 -18.4573 -18.4717 PRESSURE: 4152000 -39.8047 215.743 -87.5016 215.742 -22.702 -7.90397 -87.502 -7.9037 45.0607 GPRESSURE: 4152000 -41.8811 197.88 -135.173 199.052 -33.1334 86.4832 -94.3353 -88.0671 131.858 PRESSAVG: 4152000 0.716047 -18.7404 35.8807 -18.7404 18.8714 -13.5071 35.8808 -13.5071 -12.0091 GPRESSAVG: 4152000 0.24139 -18.8537 34.6243 -18.7417 19.4821 -13.9118 38.0058 -14.4589 -11.8126 TIMING: 4152000 CPU: 13125.9, 0.00317898/step Wall: 13125.9, 0.00317898/step, 0.748826 hours remaining, 237.257812 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: 4152000 4033.0771 20472.5592 14509.4335 257.2107 -203591.5339 2810.0834 0.0000 0.0000 51732.8097 -109776.3603 297.3092 -161509.1701 -109415.2563 298.7359 -5.8153 18.9480 761613.1413 2.5261 2.6370 PRESSURE: 4152200 86.3494 -127.167 193.835 -127.167 205.553 -45.2258 193.835 -45.2254 59.6063 GPRESSURE: 4152200 138.573 -27.0767 100.886 -61.5674 260.555 -1.39445 149.872 -25.3163 40.9928 PRESSAVG: 4152200 -29.0606 -30.1759 16.5427 -30.1759 26.8911 -10.3157 16.5428 -10.3157 13.7582 GPRESSAVG: 4152200 -29.0478 -28.3855 16.3363 -29.0959 27.4279 -11.2237 15.2925 -11.344 13.2929 TIMING: 4152200 CPU: 13126.5, 0.00317704/step Wall: 13126.5, 0.00317704/step, 0.748192 hours remaining, 237.257812 MB of memory in use. ENERGY: 4152200 3966.7408 20476.6245 14468.5005 262.3453 -203716.3272 2873.8333 0.0000 0.0000 51988.9886 -109679.2942 298.7814 -161668.2828 -109317.0491 298.2667 117.1696 146.7068 762264.5260 3.8629 3.8910 LDB: ============= START OF LOAD BALANCING ============== 13139 LDB: ============== END OF LOAD BALANCING =============== 13139 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13139 LDB: ============= START OF LOAD BALANCING ============== 13139.3 LDB: Largest compute 7066 load 0.033964 is 17.4% of average load 0.195565 LDB: Average compute 0.004400 is 2.2% of average load 0.195565 LDB: TIME 13139.3 LOAD: AVG 0.195565 MAX 0.214382 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.27 MB LDB: TIME 13139.3 LOAD: AVG 0.195565 MAX 0.214382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.27 MB LDB: TIME 13139.3 LOAD: AVG 0.195565 MAX 0.214382 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.27 MB LDB: ============== END OF LOAD BALANCING =============== 13139.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13139.4 PRESSURE: 4152400 -134.758 36.5824 -61.3214 36.5828 276.401 86.0484 -61.3207 86.049 -31.8777 GPRESSURE: 4152400 -122.016 -37.2716 -172.972 66.1877 359.517 42.9398 -36.2185 171.076 -63.2477 PRESSAVG: 4152400 -43.519 28.0901 -9.7157 28.0901 48.9417 -29.6867 -9.71569 -29.6867 20.9125 GPRESSAVG: 4152400 -44.109 26.8553 -8.77422 26.2544 49.3185 -30.4346 -10.6366 -28.9596 20.8824 TIMING: 4152400 CPU: 13127.1, 0.00325642/step Wall: 13127.1, 0.00325642/step, 0.766707 hours remaining, 235.652344 MB of memory in use. ENERGY: 4152400 4005.4289 20597.8269 14523.6734 224.0181 -203939.3626 2918.7189 0.0000 0.0000 51975.3410 -109694.3555 298.7030 -161669.6965 -109334.6114 299.1760 36.5884 58.0846 761074.6407 8.7784 8.6973 PRESSURE: 4152600 -64.1709 43.0452 -45.9567 43.0449 -65.3908 -56.6253 -45.9561 -56.6251 128.055 GPRESSURE: 4152600 28.6085 -7.6748 31.1638 -29.2685 -33.7636 44.1391 16.2409 -128.792 75.7672 PRESSAVG: 4152600 31.9647 59.0212 16.0984 59.0211 2.31783 -20.4428 16.0983 -20.4429 4.21771 GPRESSAVG: 4152600 32.5926 59.0405 16.1025 58.6173 2.15349 -18.6892 17.9758 -22.1327 3.88319 TIMING: 4152600 CPU: 13127.8, 0.00318547/step Wall: 13127.8, 0.00318547/step, 0.749824 hours remaining, 235.652344 MB of memory in use. ENERGY: 4152600 4003.1878 20411.0154 14599.6844 246.4646 -203718.8991 2699.5179 0.0000 0.0000 52080.4922 -109678.5369 299.3073 -161759.0291 -109313.5137 298.9126 -0.5023 23.5374 760753.0448 12.8334 12.8764 PRESSURE: 4152800 225.713 290.114 214.894 290.114 255.431 75.0909 214.894 75.0909 484.012 GPRESSURE: 4152800 250.212 214.184 152.273 235.82 257.023 7.32531 137.839 136.204 559.234 PRESSAVG: 4152800 -20.082 59.8469 2.66307 59.8469 12.4988 23.31 2.66303 23.3099 3.45669 GPRESSAVG: 4152800 -19.6661 60.254 2.16488 58.7502 12.1661 22.3468 4.12558 24.4993 3.89427 TIMING: 4152800 CPU: 13128.4, 0.00318325/step Wall: 13128.4, 0.00318325/step, 0.749126 hours remaining, 235.652344 MB of memory in use. ENERGY: 4152800 3990.7559 20445.7511 14603.1186 231.5807 -203876.9450 2932.9757 0.0000 0.0000 51851.0102 -109821.7527 297.9885 -161672.7629 -109475.3044 299.1127 321.7190 355.4895 759767.2012 -1.3755 -1.2019 PRESSURE: 4153000 -60.6912 -256.426 -54.6078 -256.425 -422.257 -52.7221 -54.6084 -52.7215 -241.009 GPRESSURE: 4153000 -84.4929 -248.29 -75.2485 -185.47 -301.519 -121.039 -31.4662 21.2678 -244.752 PRESSAVG: 4153000 4.2468 -3.13006 17.6762 -3.13008 -9.21587 -10.9271 17.6762 -10.9272 16.9801 GPRESSAVG: 4153000 3.82248 -2.40146 16.8869 -0.888076 -8.78382 -9.8487 17.4154 -9.5518 17.117 TIMING: 4153000 CPU: 13129, 0.00317354/step Wall: 13129, 0.00317354/step, 0.746663 hours remaining, 235.652344 MB of memory in use. ENERGY: 4153000 4077.1722 20589.1000 14500.4331 250.1088 -203416.6160 2501.9724 0.0000 0.0000 52105.7702 -109392.0593 299.4526 -161497.8295 -109043.0743 298.9255 -241.3190 -210.2546 761109.3625 4.0037 4.0519 PRESSURE: 4153200 -125.414 -122.964 119.162 -122.964 -226.651 25.8133 119.162 25.8129 -283.15 GPRESSURE: 4153200 -210.688 -188.399 73.2959 -103.484 -126.486 35.3772 -0.226193 -229.389 -219.636 PRESSAVG: 4153200 5.66487 -67.4619 27.9578 -67.462 17.8923 -13.0109 27.9577 -13.0109 4.17612 GPRESSAVG: 4153200 4.44764 -67.3614 28.2102 -67.414 18.6623 -14.0024 28.3954 -14.6866 4.14408 TIMING: 4153200 CPU: 13129.7, 0.00317615/step Wall: 13129.7, 0.00317615/step, 0.7471 hours remaining, 235.652344 MB of memory in use. ENERGY: 4153200 3989.3965 20498.3296 14526.0470 257.4866 -203401.1437 2501.0756 0.0000 0.0000 52121.3064 -109507.5020 299.5419 -161628.8084 -109131.9870 299.5101 -211.7383 -185.6033 760015.8595 9.2444 9.0847 PRESSURE: 4153400 174.438 186.99 159.149 186.989 -114.821 191.562 159.15 191.564 87.0928 GPRESSURE: 4153400 176.434 134.649 159.784 206.018 -78.9116 192.776 76.2169 184.217 136.616 PRESSAVG: 4153400 1.74587 67.8849 -22.8006 67.8849 -31.2487 -19.6622 -22.8006 -19.6622 -6.29477 GPRESSAVG: 4153400 3.36406 66.9829 -21.6453 66.7077 -31.4892 -19.7756 -23.6852 -19.4699 -7.51985 TIMING: 4153400 CPU: 13130.3, 0.00316379/step Wall: 13130.3, 0.00316379/step, 0.744018 hours remaining, 235.652344 MB of memory in use. ENERGY: 4153400 3940.2789 20550.4198 14476.1044 236.6107 -203373.1456 2536.7377 0.0000 0.0000 52054.7392 -109578.2551 299.1593 -161632.9943 -109215.2986 299.0691 48.9035 78.0459 759897.7463 -11.9325 -11.8817 PRESSURE: 4153600 -146.058 -5.65549 106.52 -5.65538 71.2482 139.51 106.521 139.509 88.5066 GPRESSURE: 4153600 10.9346 68.5976 105.055 -90.6624 13.0419 200.464 17.1777 192.436 82.544 PRESSAVG: 4153600 38.9171 36.5975 48.6196 36.5975 -8.10699 37.4526 48.6197 37.4525 3.96236 GPRESSAVG: 4153600 38.7358 36.0825 47.4012 37.2526 -8.2745 39.1251 46.1333 35.8652 4.36878 TIMING: 4153600 CPU: 13131, 0.00319809/step Wall: 13131, 0.00319809/step, 0.751907 hours remaining, 235.652344 MB of memory in use. ENERGY: 4153600 3999.6415 20653.4549 14510.6679 235.1255 -203816.6976 2791.7540 0.0000 0.0000 52038.9198 -109587.1339 299.0684 -161626.0537 -109229.0158 299.1410 4.5655 35.5069 760108.8557 11.5908 11.6100 PRESSURE: 4153800 -125.988 63.9626 -6.1689 63.9623 173.826 106.14 -6.1684 106.141 100.551 GPRESSURE: 4153800 -34.1075 78.1826 -138.084 113.433 92.6408 107.385 155.838 -39.6565 172.211 PRESSAVG: 4153800 38.6779 37.0796 -20.8552 37.0796 -14.7132 37.1242 -20.8551 37.1242 -4.25581 GPRESSAVG: 4153800 37.5814 36.0744 -21.3052 37.3702 -15.9938 37.2589 -19.5051 37.3427 -1.77892 TIMING: 4153800 CPU: 13131.6, 0.00316454/step Wall: 13131.6, 0.00316454/step, 0.743843 hours remaining, 235.652344 MB of memory in use. ENERGY: 4153800 4024.1904 20704.6046 14557.3332 218.1135 -203890.9265 2999.9696 0.0000 0.0000 51978.1238 -109408.5914 298.7190 -161386.7152 -109049.7405 299.6284 49.4628 76.9148 759871.5610 6.5696 6.6029 PRESSURE: 4154000 -17.1309 -275.041 -86.9019 -275.041 -102.826 87.9027 -86.9022 87.902 24.6546 GPRESSURE: 4154000 110.677 -182.389 -88.4502 -291.969 -15.0121 24.1179 -55.1931 222.075 -120.658 PRESSAVG: 4154000 45.1252 28.3765 -26.3625 28.3765 1.16218 14.4181 -26.3624 14.418 6.96725 GPRESSAVG: 4154000 46.6024 30.9207 -26.4127 26.2696 1.11289 13.1026 -24.2964 15.6654 5.73395 TIMING: 4154000 CPU: 13132.2, 0.00318674/step Wall: 13132.2, 0.00318674/step, 0.748885 hours remaining, 235.652344 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: 4154000 3995.8561 20537.5908 14532.2037 268.3816 -203662.6195 2760.8392 0.0000 0.0000 52230.8848 -109336.8635 300.1716 -161567.7482 -108968.0089 299.6149 -31.7674 -8.3311 760696.2985 17.7515 17.8164 PRESSURE: 4154200 54.0707 96.0927 -107.437 96.0929 222.095 -96.1403 -107.436 -96.1408 183.039 GPRESSURE: 4154200 96.1631 103.382 -186.751 172.896 163.125 -23.7967 -139.441 -49.7758 270.867 PRESSAVG: 4154200 15.8065 8.71955 12.7907 8.71954 21.5632 53.4292 12.7907 53.4292 -13.1935 GPRESSAVG: 4154200 15.1818 6.92792 11.9532 10.78 22.7918 54.1054 10.0873 54.1503 -13.7456 TIMING: 4154200 CPU: 13132.9, 0.00314934/step Wall: 13132.9, 0.00314934/step, 0.739921 hours remaining, 235.652344 MB of memory in use. ENERGY: 4154200 4057.0629 20609.7756 14504.8857 272.0676 -203791.2443 2898.5859 0.0000 0.0000 52120.1823 -109328.6842 299.5354 -161448.8665 -108964.4112 299.5738 153.0683 176.7183 761449.9787 8.0587 8.0760 PRESSURE: 4154400 303.823 -240.679 -119.173 -240.679 50.7806 117.084 -119.173 117.084 329.865 GPRESSURE: 4154400 282.531 -160.918 -59.6702 -340.982 61.6696 90.4821 -54.06 -130.687 437.871 PRESSAVG: 4154400 0.121839 -27.7422 5.10742 -27.7423 -9.27117 -7.17335 5.10751 -7.17337 -20.4974 GPRESSAVG: 4154400 0.601281 -27.1123 4.1112 -26.9013 -9.78539 -7.51289 9.34527 -8.45017 -20.8869 TIMING: 4154400 CPU: 13133.5, 0.00317402/step Wall: 13133.5, 0.00317402/step, 0.745541 hours remaining, 235.652344 MB of memory in use. ENERGY: 4154400 4001.7507 20633.5011 14498.2794 251.2012 -203601.1106 2728.2040 0.0000 0.0000 52166.2117 -109321.9625 299.7999 -161488.1743 -108965.1049 300.0067 228.1561 260.6906 761870.4935 -9.8823 -10.0237 PRESSURE: 4154600 -391.813 98.6754 -90.8194 98.6753 -272.85 -71.7489 -90.8192 -71.7495 -320.211 GPRESSURE: 4154600 -306.265 32.5229 -24.5821 31.3318 -264.979 -77.0544 -9.63667 -60.6346 -320.504 PRESSAVG: 4154600 9.43913 -38.6413 7.91994 -38.6413 -0.27448 -8.08062 7.91993 -8.08067 -1.64879 GPRESSAVG: 4154600 10.0223 -37.8284 9.27973 -40.2661 -1.44754 -7.96456 5.2332 -7.97696 -1.57922 TIMING: 4154600 CPU: 13134.1, 0.00316139/step Wall: 13134.1, 0.00316139/step, 0.7424 hours remaining, 235.652344 MB of memory in use. ENERGY: 4154600 3977.9887 20612.8303 14476.5124 251.5094 -202825.4263 2216.1713 0.0000 0.0000 52068.0254 -109222.3888 299.2357 -161290.4143 -108865.6653 299.8037 -328.2915 -297.2494 762403.9259 2.5053 2.3318 PRESSURE: 4154800 -591.191 -238.835 -18.2839 -238.833 72.3672 -141.056 -18.283 -141.055 90.1644 GPRESSURE: 4154800 -514.029 -82.1918 -0.7817 -164.326 81.562 -92.8766 -59.8095 -117.3 79.1302 PRESSAVG: 4154800 17.6283 1.26676 7.01635 1.26675 -4.75046 -18.4673 7.0163 -18.4672 4.53749 GPRESSAVG: 4154800 15.1084 -0.207484 8.40187 2.89364 -3.06854 -20.0288 6.72199 -17.0881 4.99996 TIMING: 4154800 CPU: 13134.8, 0.00315714/step Wall: 13134.8, 0.00315714/step, 0.741225 hours remaining, 235.652344 MB of memory in use. ENERGY: 4154800 4061.3324 20645.3451 14464.2586 251.3000 -203491.5367 2700.0146 0.0000 0.0000 52038.9388 -109330.3473 299.0685 -161369.2861 -108972.4593 299.7736 -142.8864 -117.7789 761735.6666 5.8051 5.6799 PRESSURE: 4155000 -355.272 9.26124 99.5523 9.26119 -14.3769 -78.3322 99.5522 -78.3315 -40.6603 GPRESSURE: 4155000 -312.726 -2.1575 22.275 20.8931 -24.9309 -39.2015 116.843 -159.807 0.142019 PRESSAVG: 4155000 -6.16893 -29.7767 -27.5888 -29.7767 -3.47627 -30.03 -27.5889 -30.0299 -3.83323 GPRESSAVG: 4155000 -4.37134 -27.2224 -27.6687 -30.9205 -5.02356 -28.7115 -26.4051 -32.0241 -4.03548 TIMING: 4155000 CPU: 13135.4, 0.00318799/step Wall: 13135.4, 0.00318799/step, 0.748292 hours remaining, 235.652344 MB of memory in use. ENERGY: 4155000 3999.0796 20715.6952 14492.3602 240.1967 -203079.4515 2308.1508 0.0000 0.0000 51934.9506 -109389.0184 298.4709 -161323.9690 -109031.1337 299.7667 -136.7698 -112.5048 761618.2259 -4.4928 -4.4768 PRESSURE: 4155200 -277.744 83.2353 72.0217 83.2352 -389.11 -104.101 72.0215 -104.101 -40.2511 GPRESSURE: 4155200 -291.388 -4.69857 73.6825 231.835 -284.31 -70.3742 78.9373 -56.0282 -52.9038 PRESSAVG: 4155200 30.1501 4.08395 -9.76259 4.08391 -31.8736 -19.1498 -9.76262 -19.1498 -12.6919 GPRESSAVG: 4155200 28.879 2.48889 -8.97575 2.94417 -30.9983 -19.6721 -10.6086 -18.8853 -12.1443 TIMING: 4155200 CPU: 13136, 0.00316151/step Wall: 13136, 0.00316151/step, 0.741901 hours remaining, 235.652344 MB of memory in use. ENERGY: 4155200 4061.4707 20727.6612 14474.8035 236.8918 -203416.9970 2534.1694 0.0000 0.0000 52051.9095 -109330.0909 299.1430 -161382.0003 -108967.5002 299.5107 -235.7019 -209.5338 761437.0943 -4.8051 -4.7545 PRESSURE: 4155400 13.0009 -30.225 25.5493 -30.225 -136.796 157.884 25.5494 157.884 87.9797 GPRESSURE: 4155400 -65.1412 -5.76303 58.2609 13.5457 83.6422 111.292 -57.0466 148.98 51.9287 PRESSAVG: 4155400 1.58772 11.7104 44.1412 11.7104 -27.4221 -8.09807 44.1411 -8.09811 2.69553 GPRESSAVG: 4155400 1.49223 13.9262 42.5356 11.4459 -27.1314 -8.93385 44.9099 -5.88674 2.39141 TIMING: 4155400 CPU: 13136.7, 0.00315458/step Wall: 13136.7, 0.00315458/step, 0.740099 hours remaining, 235.652344 MB of memory in use. ENERGY: 4155400 4051.6568 20534.7652 14551.4454 248.4477 -203532.4634 2775.2466 0.0000 0.0000 52084.9615 -109285.9402 299.3330 -161370.9017 -108922.2409 299.1516 -11.9384 23.4766 761790.1635 -7.7129 -7.7492 PRESSURE: 4155600 -105.074 -50.434 119.5 -50.4335 -161.092 -119.678 119.501 -119.678 255.158 GPRESSURE: 4155600 5.76191 -141.161 11.3899 -26.6386 -154.837 -130.425 74.9283 -86.5901 215.896 PRESSAVG: 4155600 -1.5788 -22.8014 -16.0685 -22.8014 4.31361 14.7632 -16.0685 14.7633 10.9586 GPRESSAVG: 4155600 -0.699347 -26.0933 -17.002 -21.1159 3.50625 15.964 -15.5993 11.7678 10.4027 TIMING: 4155600 CPU: 13137.3, 0.00313654/step Wall: 13137.3, 0.00313654/step, 0.735694 hours remaining, 235.652344 MB of memory in use. ENERGY: 4155600 3986.2832 20522.8049 14520.1582 254.3597 -203477.5049 2895.3641 0.0000 0.0000 51943.9576 -109354.5773 298.5226 -161298.5349 -109001.6973 299.3332 -3.6691 22.2736 761846.3297 4.5645 4.4032 PRESSURE: 4155800 157.707 92.4434 -296.166 92.4431 499.737 39.027 -296.167 39.0273 -313.275 GPRESSURE: 4155800 172.052 205.044 -178.358 82.2341 503.887 7.57368 -203.927 90.1543 -238.373 PRESSAVG: 4155800 -41.0955 -24.4613 -38.1933 -24.4613 -7.95245 23.8705 -38.1933 23.8704 -28.2521 GPRESSAVG: 4155800 -40.3568 -22.844 -35.7438 -25.1357 -8.80592 22.5154 -38.7467 26.7119 -28.5566 TIMING: 4155800 CPU: 13137.9, 0.00317305/step Wall: 13137.9, 0.00317305/step, 0.744081 hours remaining, 235.652344 MB of memory in use. ENERGY: 4155800 4034.5202 20613.5759 14467.9905 253.4222 -203659.2356 2975.4532 0.0000 0.0000 51965.9510 -109348.3227 298.6490 -161314.2736 -108989.8838 299.4138 114.7230 145.8554 761502.9427 -25.7667 -25.9064 PRESSURE: 4156000 277.157 -61.4876 -151.739 -61.4873 -110.409 105.883 -151.739 105.883 235.496 GPRESSURE: 4156000 240.488 -60.0166 -141.856 -74.6756 -63.4663 80.9217 -22.3462 79.512 317.222 PRESSAVG: 4156000 5.30105 -32.1548 -5.79069 -32.1548 4.33965 -16.0394 -5.79072 -16.0394 -5.23993 GPRESSAVG: 4156000 4.49594 -32.1627 -7.78084 -31.2563 4.9912 -14.4028 -6.58742 -16.964 -5.18741 TIMING: 4156000 CPU: 13138.6, 0.00319102/step Wall: 13138.6, 0.00319102/step, 0.748116 hours remaining, 235.652344 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: 4156000 3974.8410 20439.4946 14407.6460 246.4114 -203521.3722 2793.0244 0.0000 0.0000 52178.2073 -109481.7475 299.8689 -161659.9548 -109131.2981 299.4904 134.0812 164.7478 761530.2312 1.4669 1.4332 PRESSURE: 4156200 -559.627 -106.013 -16.1781 -106.014 -290.219 -36.0459 -16.1777 -36.0463 9.34762 GPRESSURE: 4156200 -535.203 -163.089 -81.4397 -104.009 -216.215 -67.9195 -45.8344 -12.0763 -7.18648 PRESSAVG: 4156200 -15.4243 26.4276 -10.5225 26.4277 -33.7887 -38.9292 -10.5225 -38.9292 2.10444 GPRESSAVG: 4156200 -15.4793 24.216 -10.499 27.2867 -33.4717 -38.9103 -8.48859 -38.0015 1.8489 TIMING: 4156200 CPU: 13139.2, 0.0031519/step Wall: 13139.2, 0.0031519/step, 0.73877 hours remaining, 235.652344 MB of memory in use. ENERGY: 4156200 3962.6456 20466.1447 14524.1219 265.7076 -203215.9532 2454.5785 0.0000 0.0000 52061.6075 -109481.1474 299.1988 -161542.7549 -109122.8506 299.2372 -280.1661 -252.8679 761375.9397 -15.7029 -15.7007 LDB: ============= START OF LOAD BALANCING ============== 13151.7 LDB: ============== END OF LOAD BALANCING =============== 13151.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13151.7 LDB: ============= START OF LOAD BALANCING ============== 13152 LDB: Largest compute 7067 load 0.032326 is 16.5% of average load 0.195664 LDB: Average compute 0.004380 is 2.2% of average load 0.195664 LDB: TIME 13152 LOAD: AVG 0.195664 MAX 0.215608 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.945 MB LDB: TIME 13152 LOAD: AVG 0.195664 MAX 0.215608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.203 MB LDB: TIME 13152 LOAD: AVG 0.195664 MAX 0.215608 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.203 MB LDB: ============== END OF LOAD BALANCING =============== 13152 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13152 PRESSURE: 4156400 22.1523 49.9042 22.1846 49.9045 358.821 -132.417 22.1841 -132.417 423.043 GPRESSURE: 4156400 141.971 43.4208 16.6566 87.259 263.626 -200.947 -11.8404 -157.285 468.678 PRESSAVG: 4156400 38.3505 -5.91419 5.72602 -5.91414 -25.4692 -15.3563 5.72605 -15.3564 -6.70762 GPRESSAVG: 4156400 38.4304 -4.71884 6.48337 -7.33036 -27.0276 -16.6239 6.24481 -14.3152 -5.94575 TIMING: 4156400 CPU: 13139.8, 0.00322768/step Wall: 13139.8, 0.00322768/step, 0.756352 hours remaining, 235.382812 MB of memory in use. ENERGY: 4156400 3999.7953 20594.7748 14560.2093 233.5117 -203577.4829 2765.4175 0.0000 0.0000 51934.7893 -109488.9851 298.4699 -161423.7743 -109133.9730 299.3974 268.0056 291.4248 760187.3971 2.0579 1.8190 PRESSURE: 4156600 -7.54831 107.983 -149.797 107.983 -319.076 84.3975 -149.797 84.3961 139.589 GPRESSURE: 4156600 -40.806 46.6853 -66.8083 -38.6372 -207.345 125.174 -211.593 173.209 157.038 PRESSAVG: 4156600 -7.7692 -15.5053 42.5292 -15.5052 8.18494 24.9736 42.5292 24.9737 22.5012 GPRESSAVG: 4156600 -8.56695 -14.4464 41.9795 -17.1637 9.05045 25.7699 40.0528 25.7165 22.4361 TIMING: 4156600 CPU: 13140.5, 0.00314371/step Wall: 13140.5, 0.00314371/step, 0.736501 hours remaining, 235.382812 MB of memory in use. ENERGY: 4156600 4001.5211 20657.4507 14510.9321 256.1066 -203016.3170 2255.4049 0.0000 0.0000 52060.8586 -109274.0429 299.1945 -161334.9015 -108918.5937 299.5528 -62.3449 -30.3710 761037.6396 7.6390 7.6399 PRESSURE: 4156800 -450.021 -146.817 12.1666 -146.817 -338.839 -164.439 12.1664 -164.439 -38.1617 GPRESSURE: 4156800 -393.664 -163.197 25.9881 -147.794 -269.024 -208.267 51.6374 -27.3223 -53.2733 PRESSAVG: 4156800 -54.865 -10.67 2.05235 -10.67 -24.4133 -6.82916 2.05233 -6.82916 -8.96573 GPRESSAVG: 4156800 -54.8522 -9.50014 3.479 -8.12861 -24.145 -7.22568 4.0895 -6.43604 -8.85895 TIMING: 4156800 CPU: 13141.1, 0.00314628/step Wall: 13141.1, 0.00314628/step, 0.736929 hours remaining, 235.382812 MB of memory in use. ENERGY: 4156800 4055.8416 20407.6538 14497.7607 225.2300 -203160.1775 2378.4504 0.0000 0.0000 52311.0823 -109284.1587 300.6325 -161595.2410 -108912.2026 299.9883 -275.6740 -238.6539 762045.8818 -29.4147 -29.2854 PRESSURE: 4157000 -166.324 -64.7151 163.854 -64.7152 223.502 132.384 163.854 132.383 253.058 GPRESSURE: 4157000 -76.2739 -30.0462 61.0506 -137.696 248.167 133.904 126.77 150.977 210.568 PRESSAVG: 4157000 -12.5222 -16.562 -2.71868 -16.562 -1.05371 -7.34049 -2.71872 -7.34047 -3.8397 GPRESSAVG: 4157000 -13.0202 -17.33 -4.15302 -18.2576 -0.255816 -6.81918 -1.97813 -11.6876 -3.96243 TIMING: 4157000 CPU: 13141.7, 0.00315048/step Wall: 13141.7, 0.00315048/step, 0.737737 hours remaining, 235.382812 MB of memory in use. ENERGY: 4157000 3936.5215 20660.4061 14503.2807 257.7295 -203414.5506 2469.5347 0.0000 0.0000 52067.8046 -109519.2736 299.2344 -161587.0782 -109170.5856 300.2716 103.4119 127.4868 761854.7085 -5.8052 -5.7462 PRESSURE: 4157200 362.769 29.6904 21.4463 29.6903 7.6381 -198.874 21.4463 -198.874 -458.197 GPRESSURE: 4157200 352.786 -99.5075 8.12844 19.7826 19.667 -207.58 -53.9608 -240.025 -378.66 PRESSAVG: 4157200 -54.3316 -3.5799 84.924 -3.57992 68.9688 -61.0654 84.924 -61.0655 9.06736 GPRESSAVG: 4157200 -53.3919 -4.65106 86.5775 -3.68063 67.7692 -59.645 82.0229 -59.3968 9.0552 TIMING: 4157200 CPU: 13142.4, 0.00317169/step Wall: 13142.4, 0.00317169/step, 0.742528 hours remaining, 235.382812 MB of memory in use. ENERGY: 4157200 3973.1171 20640.5141 14511.5714 242.3362 -203700.7725 2843.1884 0.0000 0.0000 51876.3621 -109613.6833 298.1342 -161490.0454 -109248.8170 299.0651 -29.2634 -2.0691 759804.4706 7.9015 7.8108 PRESSURE: 4157400 -96.7862 -173.52 88.4454 -173.52 -33.2881 42.4638 88.4456 42.4638 -169.132 GPRESSURE: 4157400 -95.806 -104.643 39.8623 -42.4692 54.0456 24.2809 40.1015 41.4004 -174.472 PRESSAVG: 4157400 -30.6307 -60.222 -20.8422 -60.222 74.5965 8.53379 -20.8422 8.5338 19.6636 GPRESSAVG: 4157400 -31.4112 -59.1082 -22.317 -57.6031 74.7509 6.76704 -20.3731 9.86997 19.9217 TIMING: 4157400 CPU: 13143, 0.00314599/step Wall: 13143, 0.00314599/step, 0.736336 hours remaining, 235.382812 MB of memory in use. ENERGY: 4157400 4051.3803 20686.4567 14413.0538 223.0093 -203003.2886 2203.5680 0.0000 0.0000 51982.2000 -109443.6204 298.7424 -161425.8204 -109089.5774 299.2861 -99.7355 -72.0774 759613.1826 21.2098 21.0871 PRESSURE: 4157600 164.201 -130.406 31.1734 -130.407 -129.81 91.1542 31.1729 91.1539 69.7578 GPRESSURE: 4157600 189.145 -115.754 -32.192 -64.5602 -73.7525 85.8403 109.076 123.956 72.8767 PRESSAVG: 4157600 -112.906 10.1119 -23.7195 10.112 83.6425 -16.1599 -23.7195 -16.1598 11.3479 GPRESSAVG: 4157600 -112.535 10.7771 -21.2144 7.67816 82.885 -16.335 -25.4761 -15.9414 11.706 TIMING: 4157600 CPU: 13143.6, 0.00314191/step Wall: 13143.6, 0.00314191/step, 0.735207 hours remaining, 235.382812 MB of memory in use. ENERGY: 4157600 4018.1211 20373.3978 14524.3836 241.3287 -203020.0687 2360.3193 0.0000 0.0000 52135.7102 -109366.8081 299.6246 -161502.5183 -108995.0238 299.5576 34.7164 62.7564 758977.2148 -5.9720 -5.9813 PRESSURE: 4157800 -71.389 -161.377 -85.1174 -161.376 351.301 90.6759 -85.1174 90.6775 161.771 GPRESSURE: 4157800 25.6305 -115.189 -76.2862 -184.082 274.72 119.836 -144.118 5.66108 216.453 PRESSAVG: 4157800 -81.8989 25.9803 -6.22672 25.9804 71.0557 10.5898 -6.2268 10.5898 -3.68643 GPRESSAVG: 4157800 -82.0037 26.4465 -8.92719 27.4668 70.4437 11.996 -3.85356 10.9583 -3.48641 TIMING: 4157800 CPU: 13144.2, 0.00314799/step Wall: 13144.2, 0.00314799/step, 0.736455 hours remaining, 235.382812 MB of memory in use. ENERGY: 4157800 3944.8392 20620.4822 14513.0310 270.0448 -203121.2786 2338.6553 0.0000 0.0000 51847.9777 -109586.2484 297.9710 -161434.2262 -109226.9874 299.3791 147.2274 172.2679 760206.0369 -4.8432 -5.0155 PRESSURE: 4158000 -30.9423 21.0214 10.3614 21.0219 -317.473 -149.612 10.3608 -149.613 215.181 GPRESSURE: 4158000 11.4631 118.429 -35.3987 47.6689 -277.782 -99.1643 91.0873 -73.2645 199.137 PRESSAVG: 4158000 -9.16727 -27.6627 -32.3568 -27.6627 20.6432 19.5787 -32.3568 19.5786 -2.04998 GPRESSAVG: 4158000 -10.9 -28.9795 -31.4553 -28.5188 22.2613 18.4305 -33.0494 18.6014 -2.01945 TIMING: 4158000 CPU: 13144.9, 0.00314924/step Wall: 13144.9, 0.00314924/step, 0.736573 hours remaining, 235.382812 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: 4158000 4025.2300 20710.3284 14461.7439 238.8280 -203685.3650 2489.1529 0.0000 0.0000 52192.9283 -109567.1534 299.9535 -161760.0817 -109210.8745 299.3765 -44.4112 -22.3941 759925.7387 3.1420 3.1140 PRESSURE: 4158200 -61.2871 -34.4641 89.0727 -34.4642 -205.787 81.4884 89.0731 81.487 -101.66 GPRESSURE: 4158200 -43.772 -0.301578 138.6 -1.57794 -80.4876 130.988 162.214 72.6379 -154.906 PRESSAVG: 4158200 1.78919 -44.9966 -9.93366 -44.9966 5.49095 -65.3788 -9.93367 -65.3788 -4.21127 GPRESSAVG: 4158200 3.24395 -44.583 -10.0844 -44.8192 4.31175 -64.6692 -8.67458 -67.2301 -4.79421 TIMING: 4158200 CPU: 13145.5, 0.00315839/step Wall: 13145.5, 0.00315839/step, 0.738537 hours remaining, 235.382812 MB of memory in use. ENERGY: 4158200 4028.1210 20562.8443 14505.0953 266.1069 -203447.7922 2510.0112 0.0000 0.0000 52082.2667 -109493.3469 299.3175 -161575.6135 -109140.6941 299.8177 -122.9111 -93.0552 760370.2457 1.0230 0.9205 PRESSURE: 4158400 123.288 -265.051 -38.0229 -265.051 24.3834 134.228 -38.0223 134.228 202.229 GPRESSURE: 4158400 147.614 -297.289 -33.2449 -113.04 123.174 104.604 -28.4688 82.1642 148.08 PRESSAVG: 4158400 8.16235 -6.76714 10.0612 -6.76716 6.17275 -75.9363 10.0612 -75.9364 -16.6528 GPRESSAVG: 4158400 6.95856 -5.65955 10.4145 -5.70062 5.97289 -77.0335 9.93538 -74.7941 -15.2077 TIMING: 4158400 CPU: 13146.1, 0.00317598/step Wall: 13146.1, 0.00317598/step, 0.742474 hours remaining, 235.382812 MB of memory in use. ENERGY: 4158400 3902.0042 20508.6332 14477.2796 244.6484 -203705.2723 2634.0513 0.0000 0.0000 52348.3059 -109590.3499 300.8464 -161938.6558 -109217.6427 299.5755 116.6334 139.6225 760432.6993 -0.7726 -0.7588 PRESSURE: 4158600 -245.256 74.8502 111.406 74.8492 -30.2444 62.8165 111.406 62.8168 -209.404 GPRESSURE: 4158600 -293.619 61.352 90.9527 140.523 -28.3999 127.425 115.083 23.6654 -79.0512 PRESSAVG: 4158600 22.2003 -24.2535 -41.9215 -24.2536 -13.1244 -41.1289 -41.9215 -41.1288 9.96407 GPRESSAVG: 4158600 22.8041 -25.6778 -41.7166 -24.2134 -12.8026 -40.1126 -41.6054 -41.6662 8.69983 TIMING: 4158600 CPU: 13146.8, 0.00318282/step Wall: 13146.8, 0.00318282/step, 0.743895 hours remaining, 235.382812 MB of memory in use. ENERGY: 4158600 3885.9142 20502.4164 14504.5166 240.3000 -203118.6344 2240.0795 0.0000 0.0000 52052.2326 -109693.1753 299.1449 -161745.4078 -109326.7383 299.0964 -161.6347 -133.6901 762719.1359 6.3466 6.2338 PRESSURE: 4158800 -140.76 -118.435 117.497 -118.435 -17.127 -17.0452 117.498 -17.0442 -424.22 GPRESSURE: 4158800 -28.8976 -91.8428 176.712 -19.2149 -21.4128 23.9532 61.3115 45.6056 -443.055 PRESSAVG: 4158800 7.81663 -38.372 21.5067 -38.3721 3.51615 2.32065 21.5067 2.32064 -0.714516 GPRESSAVG: 4158800 7.44332 -39.7994 21.4939 -38.77 3.7929 1.45626 22.1454 1.72976 -0.519187 TIMING: 4158800 CPU: 13147.4, 0.00317117/step Wall: 13147.4, 0.00317117/step, 0.740997 hours remaining, 235.382812 MB of memory in use. ENERGY: 4158800 4005.4195 20542.9381 14526.6089 257.7258 -203383.7093 2272.6386 0.0000 0.0000 52087.8571 -109690.5214 299.3496 -161778.3785 -109326.4997 298.8475 -194.0356 -164.4551 760306.2892 3.5394 3.5723 PRESSURE: 4159000 -197.859 -28.0249 93.9335 -28.0245 -22.0558 106.872 93.9335 106.871 -403.713 GPRESSURE: 4159000 -145.626 23.0937 139.759 -113.39 27.6637 188.913 33.21 80.7436 -414.796 PRESSAVG: 4159000 24.089 -17.0488 22.2103 -17.0488 -19.5471 11.9408 22.2103 11.9408 18.7603 GPRESSAVG: 4159000 24.8128 -15.4289 22.4922 -18.1879 -19.7271 12.5016 20.4189 12.3236 18.2505 TIMING: 4159000 CPU: 13148, 0.00316283/step Wall: 13148, 0.00316283/step, 0.738873 hours remaining, 235.382812 MB of memory in use. ENERGY: 4159000 4036.9054 20519.9003 14503.2258 249.7983 -203725.7385 2534.4217 0.0000 0.0000 52098.0118 -109783.4751 299.4080 -161881.4869 -109420.2850 298.9933 -207.8759 -177.5861 761494.3794 7.7674 7.7787 PRESSURE: 4159200 55.7546 30.4084 -47.4246 30.4088 -64.4639 -54.3261 -47.425 -54.326 -253.756 GPRESSURE: 4159200 93.4851 14.4348 -33.3692 95.411 -27.8141 -74.5493 -19.1132 -48.8307 -242.873 PRESSAVG: 4159200 16.2545 -27.7265 -1.9271 -27.7265 -40.9953 -34.7441 -1.92707 -34.7441 2.92191 GPRESSAVG: 4159200 15.5129 -29.0806 0.0122709 -26.1488 -40.7057 -35.4966 -3.5978 -35.285 3.99198 TIMING: 4159200 CPU: 13148.7, 0.00318075/step Wall: 13148.7, 0.00318075/step, 0.742881 hours remaining, 235.382812 MB of memory in use. ENERGY: 4159200 4007.8960 20744.3919 14566.0650 252.8676 -203798.8834 2752.4142 0.0000 0.0000 51969.3688 -109505.8799 298.6687 -161475.2488 -109139.1126 299.5430 -87.4886 -59.0673 760553.7179 -7.2730 -7.0669 PRESSURE: 4159400 474.436 250.061 -13.6654 250.061 -19.1021 -102.717 -13.665 -102.717 121.517 GPRESSURE: 4159400 449.739 132.835 -88.6576 347.154 76.5112 -53.869 49.2548 -43.914 134.773 PRESSAVG: 4159400 10.8881 -5.91155 50.853 -5.91157 6.05251 32.2803 50.853 32.2803 -13.0965 GPRESSAVG: 4159400 12.177 -5.52977 49.0713 -5.83663 5.76027 31.9578 52.3632 34.2508 -13.6634 TIMING: 4159400 CPU: 13149.3, 0.00318408/step Wall: 13149.3, 0.00318408/step, 0.743482 hours remaining, 235.382812 MB of memory in use. ENERGY: 4159400 4036.8875 20557.0390 14526.9952 248.8578 -203887.6036 2877.8236 0.0000 0.0000 51918.8324 -109721.1681 298.3782 -161640.0005 -109358.5029 299.2509 192.2838 220.3411 759596.8255 1.2813 1.4246 PRESSURE: 4159600 -44.4656 -0.00849486 120.792 -0.00869229 -148.261 51.3161 120.793 51.3173 14.9317 GPRESSURE: 4159600 -1.24057 -48.7493 84.424 15.96 -102.889 -2.96077 162.349 -20.3348 1.95772 PRESSAVG: 4159600 6.26206 46.4669 56.6777 46.4669 -23.8342 20.0724 56.6777 20.0724 10.8671 GPRESSAVG: 4159600 6.14339 48.0459 55.5451 44.6236 -23.9751 20.5519 57.1898 18.2314 10.3822 TIMING: 4159600 CPU: 13150, 0.00318838/step Wall: 13150, 0.00318838/step, 0.74431 hours remaining, 235.382812 MB of memory in use. ENERGY: 4159600 4023.0547 20674.0406 14461.7410 250.8113 -203646.1261 2527.3552 0.0000 0.0000 51968.2794 -109740.8438 298.6624 -161709.1232 -109368.7118 299.1705 -59.2650 -34.0572 760991.8683 -2.2350 -2.4832 PRESSURE: 4159800 149.59 -36.2413 283.086 -36.2422 -299.747 -232.834 283.086 -232.834 -325.956 GPRESSURE: 4159800 214.428 -50.5587 232.026 -116.651 -286.991 -147.01 294.562 -123.13 -310.232 PRESSAVG: 4159800 24.7299 12.8932 50.7254 12.8933 10.584 -24.1827 50.7254 -24.1827 0.547421 GPRESSAVG: 4159800 24.2757 10.7214 51.6014 14.2697 11.244 -24.7732 49.7509 -22.0351 0.718256 TIMING: 4159800 CPU: 13150.6, 0.0031821/step Wall: 13150.6, 0.0031821/step, 0.742667 hours remaining, 235.382812 MB of memory in use. ENERGY: 4159800 4019.7801 20612.6881 14438.4474 238.2338 -203874.4990 2653.2682 0.0000 0.0000 52243.9572 -109668.1243 300.2467 -161912.0815 -109304.5056 299.4923 -158.7043 -127.5982 761223.3494 11.9538 12.0793 PRESSURE: 4160000 17.9922 -106.156 124.569 -106.155 -106.269 -242.105 124.569 -242.105 -364.262 GPRESSURE: 4160000 81.8468 -12.2337 156.15 -34.1277 -54.94 -178.909 62.9687 -247.274 -392.009 PRESSAVG: 4160000 -9.76972 17.4238 51.9317 17.4238 -30.5516 7.60073 51.9317 7.60075 21.2924 GPRESSAVG: 4160000 -7.74948 19.5538 51.621 15.8929 -31.5622 7.89708 53.6086 5.59493 21.74 TIMING: 4160000 CPU: 13151.2, 0.00320164/step Wall: 13151.2, 0.00320164/step, 0.74705 hours remaining, 235.382812 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: 4160000 4056.9125 20503.4931 14452.5626 258.9481 -203752.8817 2564.4756 0.0000 0.0000 51980.0877 -109936.4019 298.7303 -161916.4896 -109574.1829 298.7251 -150.8463 -121.7008 759897.9214 -6.3430 -5.8572 PRESSURE: 4160200 120.598 12.4195 105.277 12.4189 -92.4279 -30.7348 105.277 -30.7343 217.457 GPRESSURE: 4160200 58.4407 25.6879 82.0036 43.524 -30.5597 -75.3967 111.81 -19.7876 296.604 PRESSAVG: 4160200 -5.73225 6.02986 10.6885 6.02992 22.4502 -41.6389 10.6885 -41.639 -18.4888 GPRESSAVG: 4160200 -7.4708 5.17054 9.58138 6.98594 24.3212 -42.8735 11.5199 -41.4637 -19.1427 TIMING: 4160200 CPU: 13151.9, 0.00319512/step Wall: 13151.9, 0.00319512/step, 0.745349 hours remaining, 235.382812 MB of memory in use. ENERGY: 4160200 3987.2359 20669.7554 14501.8923 242.4464 -203701.1573 2701.4989 0.0000 0.0000 51842.3539 -109755.9745 297.9387 -161598.3284 -109399.6705 298.3818 81.8757 108.1616 758499.1138 -0.5903 -0.7641 LDB: ============= START OF LOAD BALANCING ============== 13164.4 LDB: ============== END OF LOAD BALANCING =============== 13164.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13164.4 LDB: ============= START OF LOAD BALANCING ============== 13164.7 LDB: Largest compute 7067 load 0.032826 is 16.8% of average load 0.195613 LDB: Average compute 0.004384 is 2.2% of average load 0.195613 LDB: TIME 13164.7 LOAD: AVG 0.195613 MAX 0.21308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.156 MB LDB: TIME 13164.7 LOAD: AVG 0.195613 MAX 0.21308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: TIME 13164.7 LOAD: AVG 0.195613 MAX 0.21308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: ============== END OF LOAD BALANCING =============== 13164.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13164.7 PRESSURE: 4160400 -88.1163 296.126 41.8014 296.127 -48.4921 223.617 41.8007 223.615 439.275 GPRESSURE: 4160400 -36.5251 197.253 -8.5735 261.037 34.5811 275.746 50.4037 206.665 380.313 PRESSAVG: 4160400 16.9252 43.9137 38.8594 43.9137 -2.71599 43.0522 38.8594 43.0522 14.756 GPRESSAVG: 4160400 17.2777 44.1719 40.0116 42.5562 -2.75088 44.8673 36.6725 45.6803 13.9798 TIMING: 4160400 CPU: 13152.5, 0.00328646/step Wall: 13152.5, 0.00328646/step, 0.766475 hours remaining, 235.882812 MB of memory in use. ENERGY: 4160400 4015.0381 20531.9731 14455.9586 251.3255 -203716.2764 2611.7361 0.0000 0.0000 52141.1926 -109709.0524 299.6562 -161850.2451 -109344.5574 298.9895 100.8888 126.1229 759426.2851 9.6550 9.5022 PRESSURE: 4160600 376.644 -21.1027 -166.835 -21.1033 45.6848 28.9431 -166.835 28.9441 216.98 GPRESSURE: 4160600 344.061 -43.2039 -126.024 -81.6849 80.7957 78.6883 -95.5966 -3.43837 296.596 PRESSAVG: 4160600 -33.2038 -12.6313 -11.3237 -12.6313 73.3107 31.3675 -11.3236 31.3675 6.12792 GPRESSAVG: 4160600 -33.3865 -11.8288 -11.4335 -11.5298 72.4781 30.6841 -11.2888 29.8158 7.42481 TIMING: 4160600 CPU: 13153.2, 0.00318992/step Wall: 13153.2, 0.00318992/step, 0.743782 hours remaining, 236.335938 MB of memory in use. ENERGY: 4160600 3989.1512 20688.4620 14418.5611 243.5709 -203838.1636 2564.9423 0.0000 0.0000 52115.0216 -109818.4545 299.5057 -161933.4761 -109454.2474 299.3143 213.1029 240.4843 759978.9523 15.4116 15.5055 PRESSURE: 4160800 -78.914 -74.5765 -18.4227 -74.5761 346.229 -169.768 -18.4231 -169.769 43.3128 GPRESSURE: 4160800 -33.6195 -86.8163 -10.4651 -45.1431 344.901 -130.189 -53.2493 7.7426 78.2573 PRESSAVG: 4160800 2.10657 7.43673 -36.3305 7.43671 23.8985 -11.8131 -36.3305 -11.8131 12.6959 GPRESSAVG: 4160800 2.97636 7.67332 -35.8071 7.61302 22.9143 -12.6142 -33.4541 -11.0597 12.7966 TIMING: 4160800 CPU: 13153.8, 0.00318851/step Wall: 13153.8, 0.00318851/step, 0.743276 hours remaining, 236.335938 MB of memory in use. ENERGY: 4160800 4026.4608 20606.1078 14470.4446 244.9788 -203539.1703 2446.4917 0.0000 0.0000 52111.6798 -109633.0069 299.4865 -161744.6866 -109265.0778 299.2894 103.5425 129.8463 757556.1928 12.9003 12.8957 PRESSURE: 4161000 183.041 57.5358 26.8255 57.5361 -47.0219 -128.714 26.8253 -128.715 157.099 GPRESSURE: 4161000 109.52 35.809 6.16747 45.7266 79.5836 -33.4064 -76.3033 -82.8739 175.355 PRESSAVG: 4161000 -35.5753 -15.4904 18.7779 -15.4903 44.446 -45.1185 18.7779 -45.1186 -7.89501 GPRESSAVG: 4161000 -34.8367 -16.6107 18.7154 -16.0587 45.5384 -43.0728 17.2331 -44.4256 -9.22545 TIMING: 4161000 CPU: 13154.4, 0.00320178/step Wall: 13154.4, 0.00320178/step, 0.746193 hours remaining, 236.335938 MB of memory in use. ENERGY: 4161000 3900.9285 20673.5731 14582.7108 254.9112 -203978.8419 2761.7804 0.0000 0.0000 51945.9675 -109858.9704 298.5342 -161804.9379 -109494.8387 299.5481 97.7059 121.4862 759238.8232 0.3252 0.4921 PRESSURE: 4161200 -353.566 94.4676 171.795 94.4679 -221.789 352.385 171.795 352.385 -198.884 GPRESSURE: 4161200 -289.961 -22.4753 125.74 184.652 -257.335 351.461 175.458 245.963 -149.619 PRESSAVG: 4161200 13.6515 -19.7301 1.87148 -19.7301 25.449 26.9881 1.87158 26.9882 0.44813 GPRESSAVG: 4161200 13.0746 -21.0879 0.725955 -16.6682 24.6947 26.874 1.52069 24.7585 1.46749 TIMING: 4161200 CPU: 13155.1, 0.00319587/step Wall: 13155.1, 0.00319587/step, 0.744638 hours remaining, 236.335938 MB of memory in use. ENERGY: 4161200 4002.6703 20460.9494 14519.3003 251.0509 -203743.2943 2690.1381 0.0000 0.0000 51730.4779 -110088.7073 297.2958 -161819.1852 -109732.4148 298.6458 -258.0799 -232.3050 761207.1979 13.1829 13.0789 PRESSURE: 4161400 -152.726 -74.1733 117.646 -74.1739 -203.845 -154.122 117.646 -154.122 -57.7662 GPRESSURE: 4161400 -212.027 -8.85198 58.4776 1.13052 -64.1934 -60.7137 224.502 -248.097 -46.0757 PRESSAVG: 4161400 -63.6964 16.3458 6.9307 16.3458 33.2104 19.532 6.9307 19.532 5.95134 GPRESSAVG: 4161400 -63.5973 17.1233 7.09481 14.6149 33.6142 18.1567 6.45614 21.4264 5.14777 TIMING: 4161400 CPU: 13155.7, 0.00316711/step Wall: 13155.7, 0.00316711/step, 0.737761 hours remaining, 236.335938 MB of memory in use. ENERGY: 4161400 3975.8357 20599.7522 14482.6093 243.5855 -203361.8068 2410.8165 0.0000 0.0000 51646.6801 -110002.5274 296.8142 -161649.2076 -109647.0167 297.9984 -138.1123 -107.4319 762848.0444 -8.1782 -8.2784 PRESSURE: 4161600 31.325 143.968 -157.226 143.968 149.127 -42.6218 -157.226 -42.6217 52.7901 GPRESSURE: 4161600 88.1568 6.25602 -109.279 141.485 130.976 -24.0873 -267.957 -75.7399 111.811 PRESSAVG: 4161600 -14.9897 -30.1826 -6.31555 -30.1826 1.43022 -14.3428 -6.31557 -14.3428 -11.4516 GPRESSAVG: 4161600 -16.089 -29.4937 -5.67071 -32.6255 2.48875 -13.2069 -7.83248 -16.6636 -11.4762 TIMING: 4161600 CPU: 13156.4, 0.00319966/step Wall: 13156.4, 0.00319966/step, 0.745166 hours remaining, 236.335938 MB of memory in use. ENERGY: 4161600 3967.4028 20364.2878 14459.5063 223.5768 -204180.6573 3000.7282 0.0000 0.0000 52006.3155 -110158.8400 298.8810 -162165.1554 -109783.3868 297.5392 77.7475 110.3143 760986.6683 -8.3370 -8.3588 PRESSURE: 4161800 -13.0393 -353.099 -67.0781 -353.1 -354.822 187.331 -67.0767 187.332 -343.914 GPRESSURE: 4161800 -40.4936 -242.102 -115.862 -295.682 -339.641 210.924 -136.911 207.442 -247.209 PRESSAVG: 4161800 41.4831 -28.7746 18.1262 -28.7747 -3.81921 7.30774 18.1262 7.3077 -9.72673 GPRESSAVG: 4161800 43.477 -27.7009 17.0893 -26.0344 -5.38772 7.40385 20.3752 8.40905 -9.09759 TIMING: 4161800 CPU: 13157, 0.00322616/step Wall: 13157, 0.00322616/step, 0.751157 hours remaining, 236.335938 MB of memory in use. ENERGY: 4161800 4006.1678 20442.2085 14461.3745 244.5042 -203707.5615 2704.4318 0.0000 0.0000 51843.8636 -110005.0111 297.9474 -161848.8747 -109638.6370 298.2838 -237.2584 -209.1142 760765.6138 9.3124 9.6639 PRESSURE: 4162000 -19.2851 -128.143 342.643 -128.142 -393.615 7.37938 342.644 7.37955 234.676 GPRESSURE: 4162000 58.72 -98.7205 366.77 -111.851 -335.426 -18.096 142.097 54.206 204.062 PRESSAVG: 4162000 52.6138 1.5376 -8.32973 1.53758 -9.7997 15.1375 -8.32984 15.1375 -8.199 GPRESSAVG: 4162000 53.2053 1.2264 -8.42713 1.11859 -10.2263 12.9835 -8.47156 16.2078 -9.03355 TIMING: 4162000 CPU: 13157.6, 0.00318688/step Wall: 13157.6, 0.00318688/step, 0.741835 hours remaining, 236.335938 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: 4162000 3963.6288 20329.0876 14576.8184 244.8172 -203659.1969 2425.8930 0.0000 0.0000 51955.0926 -110163.8592 298.5866 -162118.9519 -109798.5055 298.3798 -59.4079 -24.2147 758631.0242 11.5384 11.3152 PRESSURE: 4162200 -396.832 185.388 -46.5246 185.388 -392.261 -59.1742 -46.5253 -59.1738 63.8042 GPRESSURE: 4162200 -294.741 166.212 -86.7729 183.78 -338.077 -44.9213 29.5831 -141.035 -4.65507 PRESSAVG: 4162200 21.6728 -7.91785 -39.8035 -7.91778 -35.6066 -4.93635 -39.8036 -4.93631 7.38104 GPRESSAVG: 4162200 20.0573 -8.22972 -40.1701 -9.48099 -33.6593 -4.42797 -40.7276 -6.01393 7.40737 TIMING: 4162200 CPU: 13158.3, 0.00321197/step Wall: 13158.3, 0.00321197/step, 0.747497 hours remaining, 236.335938 MB of memory in use. ENERGY: 4162200 3930.0036 20523.2130 14456.4808 232.0183 -203746.7532 2435.4711 0.0000 0.0000 51913.0079 -110256.5586 298.3448 -162169.5664 -109893.0331 297.4569 -241.7632 -212.4910 761096.5729 -2.1843 -2.0648 PRESSURE: 4162400 94.0667 3.40887 163.433 3.40932 85.8282 59.9153 163.432 59.9153 -78.8705 GPRESSURE: 4162400 134.633 46.5421 210.704 -51.0927 78.4646 83.9358 179.964 -19.1651 -15.7436 PRESSAVG: 4162400 -57.3609 4.46687 7.68572 4.46685 28.5614 38.2698 7.68574 38.2698 -20.784 GPRESSAVG: 4162400 -58.0573 2.25239 9.68564 6.03479 28.4095 38.7961 7.26048 37.7979 -20.6195 TIMING: 4162400 CPU: 13158.9, 0.00317964/step Wall: 13158.9, 0.00317964/step, 0.739796 hours remaining, 236.335938 MB of memory in use. ENERGY: 4162400 3980.0139 20377.7242 14452.5626 250.9686 -203938.3033 2698.8867 0.0000 0.0000 52121.4604 -110056.6869 299.5427 -162178.1474 -109691.6153 298.1911 33.6748 65.7845 760745.0149 -16.5278 -16.7557 PRESSURE: 4162600 185.665 -92.857 -9.95102 -92.8571 -47.8732 195.249 -9.95033 195.249 359.214 GPRESSURE: 4162600 193.366 -18.4011 1.25925 -133.1 65.787 119.506 -59.8129 254.857 328.029 PRESSAVG: 4162600 15.6009 21.3481 -8.74848 21.348 17.2203 59.7121 -8.74847 59.7121 21.1981 GPRESSAVG: 4162600 16.823 24.3699 -10.7873 19.7156 16.4257 59.1112 -8.16258 60.1889 20.9449 TIMING: 4162600 CPU: 13159.5, 0.00317113/step Wall: 13159.5, 0.00317113/step, 0.737639 hours remaining, 236.335938 MB of memory in use. ENERGY: 4162600 3900.8222 20530.0836 14427.5336 233.9437 -204235.6643 2972.7351 0.0000 0.0000 52030.9608 -110139.5852 299.0226 -162170.5460 -109773.1828 298.1860 165.6686 195.7272 760239.9046 18.0065 18.0645 PRESSURE: 4162800 -238.858 -15.1196 105.618 -15.12 -159.459 -7.24055 105.618 -7.24026 -2.54311 GPRESSURE: 4162800 -205.254 -108.348 139.278 63.959 -128.396 -82.4556 118.891 181.449 17.5903 PRESSAVG: 4162800 48.6692 -10.4881 -52.2072 -10.4881 -13.2851 87.7707 -52.2072 87.7707 -19.8982 GPRESSAVG: 4162800 48.4939 -10.98 -52.2254 -9.9251 -13.4158 89.0129 -52.1634 88.5143 -19.4175 TIMING: 4162800 CPU: 13160.2, 0.00318364/step Wall: 13160.2, 0.00318364/step, 0.740372 hours remaining, 236.335938 MB of memory in use. ENERGY: 4162800 3955.1571 20494.4072 14427.7083 235.2062 -203569.5362 2581.3976 0.0000 0.0000 51846.8177 -110028.8422 297.9644 -161875.6599 -109666.3066 298.1102 -133.6200 -105.3534 761763.0374 5.1620 5.2202 PRESSURE: 4163000 196.084 56.5915 -8.64853 56.5923 -285.721 -213.228 -8.64825 -213.228 375.381 GPRESSURE: 4163000 198.849 -19.8893 -83.1188 2.45 -215.261 -151.276 -72.8844 -124.475 378.739 PRESSAVG: 4163000 32.852 1.88782 -53.0034 1.88781 -28.3431 9.56104 -53.0035 9.56109 -7.53106 GPRESSAVG: 4163000 33.2981 0.724967 -53.0723 1.93902 -27.6323 9.65638 -51.3656 9.6496 -8.48216 TIMING: 4163000 CPU: 13160.8, 0.00319637/step Wall: 13160.8, 0.00319637/step, 0.743155 hours remaining, 236.335938 MB of memory in use. ENERGY: 4163000 4015.4130 20427.1605 14425.1281 232.8172 -203802.3640 2901.4976 0.0000 0.0000 51775.7916 -110024.5561 297.5562 -161800.3477 -109673.5729 298.0098 95.2481 120.7756 760296.2059 -1.0074 -0.9388 PRESSURE: 4163200 -146.157 61.1905 -177.596 61.1912 224.883 114.402 -177.596 114.401 -39.376 GPRESSURE: 4163200 -148.691 -24.2709 -152.095 -22.2638 270.993 70.4656 -87.7653 71.6659 -10.0811 PRESSAVG: 4163200 13.1413 -11.6515 -26.9392 -11.6514 -52.504 -33.4718 -26.9393 -33.4718 -17.7427 GPRESSAVG: 4163200 13.2053 -9.6688 -25.4587 -13.3567 -52.559 -33.0629 -28.7941 -32.9752 -17.9219 TIMING: 4163200 CPU: 13161.5, 0.00317256/step Wall: 13161.5, 0.00317256/step, 0.737443 hours remaining, 236.335938 MB of memory in use. ENERGY: 4163200 3989.1693 20457.1757 14437.5121 248.8067 -203605.7050 2711.0271 0.0000 0.0000 52076.3476 -109685.6664 299.2835 -161762.0140 -109333.0861 299.1078 13.1169 37.4068 761185.7291 -19.0351 -19.0919 PRESSURE: 4163400 -20.5419 32.3491 75.7884 32.3485 233.971 -74.2012 75.7884 -74.2003 -65.2418 GPRESSURE: 4163400 79.729 237.334 26.3022 75.6258 227.771 -23.0043 119.653 -194.682 -75.9104 PRESSAVG: 4163400 -8.2325 14.6525 -4.95319 14.6525 -25.1058 -36.526 -4.95319 -36.5259 -21.05 GPRESSAVG: 4163400 -7.85468 12.2394 -5.19433 19.2324 -26.5344 -37.202 -3.58183 -35.5496 -20.2945 TIMING: 4163400 CPU: 13162.1, 0.00318833/step Wall: 13162.1, 0.00318833/step, 0.740933 hours remaining, 236.335938 MB of memory in use. ENERGY: 4163400 4044.7264 20556.3491 14422.0247 235.5474 -203956.1818 2870.1996 0.0000 0.0000 51736.0356 -110091.2990 297.3277 -161827.3346 -109735.5780 298.1367 49.3957 77.1967 761437.9440 -18.1294 -18.2279 PRESSURE: 4163600 -53.8933 -47.9305 -49.389 -47.9307 -372.61 -156.575 -49.3893 -156.575 36.1751 GPRESSURE: 4163600 -85.2055 -8.69443 -26.6088 -54.8711 -265.591 -90.5044 -79.5104 -269.809 46.9033 PRESSAVG: 4163600 15.3877 -6.17185 -17.9909 -6.1718 -24.7167 10.8196 -17.9909 10.8196 -10.4104 GPRESSAVG: 4163600 14.2615 -2.36163 -18.8383 -9.20135 -23.8947 10.5692 -17.8169 10.1384 -10.2003 TIMING: 4163600 CPU: 13162.7, 0.00319689/step Wall: 13162.7, 0.00319689/step, 0.742745 hours remaining, 236.335938 MB of memory in use. ENERGY: 4163600 3933.6703 20433.1887 14423.5049 259.8904 -203624.8469 2616.7645 0.0000 0.0000 51982.1384 -109975.6897 298.7421 -161957.8281 -109618.1993 298.1062 -130.1095 -101.2979 762183.8098 -6.5798 -6.6112 PRESSURE: 4163800 -273.99 -143.336 -146.907 -143.336 73.7965 95.1812 -146.907 95.1813 185.653 GPRESSURE: 4163800 -181.739 -174.694 -162.784 -223.912 94.2156 55.1059 -136.401 172.438 148.101 PRESSAVG: 4163800 14.7026 31.382 -59.4106 31.382 -5.13813 -8.71557 -59.4106 -8.71564 15.0703 GPRESSAVG: 4163800 14.9734 29.4817 -59.3859 29.0749 -4.35114 -8.34441 -60.8418 -9.12724 14.1586 TIMING: 4163800 CPU: 13163.4, 0.00317438/step Wall: 13163.4, 0.00317438/step, 0.737337 hours remaining, 236.472656 MB of memory in use. ENERGY: 4163800 4011.9448 20499.4538 14446.9547 251.3564 -203452.4701 2376.7709 0.0000 0.0000 51996.2018 -109869.7877 298.8229 -161865.9895 -109505.6801 298.4440 -4.8469 20.1925 762802.0955 8.2116 8.2603 PRESSURE: 4164000 -131.897 -32.9078 111.152 -32.9081 217.579 -128.859 111.151 -128.859 -148.314 GPRESSURE: 4164000 -95.0643 2.70579 156.974 -106.169 214.061 -101.249 19.6942 -61.6344 -92.8008 PRESSAVG: 4164000 62.6447 -6.77114 5.26949 -6.7712 -86.1021 -22.0135 5.2695 -22.0135 -20.2683 GPRESSAVG: 4164000 62.5761 -4.65429 6.06551 -5.83927 -86.4704 -22.3403 4.96365 -19.4189 -20.2429 TIMING: 4164000 CPU: 13164, 0.00313463/step Wall: 13164, 0.00313463/step, 0.727931 hours remaining, 236.472656 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: 4164000 3922.9010 20545.5398 14418.0299 242.3905 -204078.4327 2974.4715 0.0000 0.0000 52005.1353 -109969.9648 298.8742 -161975.1001 -109610.6834 298.1486 -20.8769 8.7319 760754.0537 -14.5753 -14.7124 PRESSURE: 4164200 -201.978 -82.0062 242.244 -82.0066 22.1688 71.2376 242.244 71.2385 -276.615 GPRESSURE: 4164200 -265.813 -104.02 269.943 -72.4476 54.8838 59.3626 217.419 -86.5242 -160.644 PRESSAVG: 4164200 19.1659 -42.0674 -9.52873 -42.0674 -40.9596 -20.0601 -9.52872 -20.0602 -17.941 GPRESSAVG: 4164200 18.6526 -44.3047 -10.5963 -40.1779 -41.3129 -19.8078 -6.09879 -23.8082 -17.0539 TIMING: 4164200 CPU: 13164.6, 0.00316453/step Wall: 13164.6, 0.00316453/step, 0.734698 hours remaining, 236.472656 MB of memory in use. ENERGY: 4164200 4014.0270 20385.2229 14489.0373 241.7879 -203570.7238 2634.6483 0.0000 0.0000 51795.5101 -110010.4901 297.6695 -161806.0003 -109653.7094 298.8067 -152.1412 -123.8578 760695.0593 -13.2449 -13.2381 LDB: ============= START OF LOAD BALANCING ============== 13177.2 LDB: ============== END OF LOAD BALANCING =============== 13177.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13177.2 LDB: ============= START OF LOAD BALANCING ============== 13177.5 LDB: Largest compute 7031 load 0.033397 is 17.1% of average load 0.195677 LDB: Average compute 0.004381 is 2.2% of average load 0.195677 LDB: TIME 13177.5 LOAD: AVG 0.195677 MAX 0.214403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.906 MB LDB: TIME 13177.5 LOAD: AVG 0.195677 MAX 0.214403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: TIME 13177.5 LOAD: AVG 0.195677 MAX 0.214403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.906 MB LDB: ============== END OF LOAD BALANCING =============== 13177.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13177.5 PRESSURE: 4164400 -56.6227 35.2187 17.4819 35.2186 -110.79 -15.0832 17.482 -15.0828 -70.0726 GPRESSURE: 4164400 -4.21388 5.63346 -10.6179 83.6022 -124.173 69.4325 7.88708 -55.3465 -24.7733 PRESSAVG: 4164400 15.4529 -16.3449 -59.1942 -16.3449 -19.9761 -11.7904 -59.1942 -11.7903 -21.623 GPRESSAVG: 4164400 16.5851 -15.0672 -59.953 -17.3674 -20.1406 -10.5873 -61.1749 -11.4192 -22.4259 TIMING: 4164400 CPU: 13165.3, 0.00325102/step Wall: 13165.3, 0.00325102/step, 0.754598 hours remaining, 236.406250 MB of memory in use. ENERGY: 4164400 4014.2574 20490.8935 14427.1880 233.0888 -203661.7610 2662.8622 0.0000 0.0000 52111.4697 -109722.0015 299.4853 -161833.4712 -109348.4869 298.4798 -79.1619 -51.0532 759320.3895 -8.7154 -8.6605 PRESSURE: 4164600 -223.272 11.6006 -95.6517 11.5999 -112.553 -253.256 -95.6519 -253.255 -107.707 GPRESSURE: 4164600 -140.011 -13.2548 -99.9609 69.2952 -141.213 -187.655 -97.5756 -90.2284 -79.2688 PRESSAVG: 4164600 11.4396 -19.4729 -35.2789 -19.4728 8.81852 -49.873 -35.2789 -49.873 7.09787 GPRESSAVG: 4164600 10.2815 -21.7677 -34.0906 -17.6996 9.10654 -49.8738 -36.2504 -48.1229 7.32392 TIMING: 4164600 CPU: 13165.9, 0.00317212/step Wall: 13165.9, 0.00317213/step, 0.736109 hours remaining, 236.609375 MB of memory in use. ENERGY: 4164600 3973.0970 20486.9552 14465.5785 238.4352 -204042.8384 2830.9574 0.0000 0.0000 52159.8301 -109887.9851 299.7633 -162047.8152 -109522.0524 299.2144 -147.8439 -120.1643 759289.7413 9.1187 8.9040 PRESSURE: 4164800 -146.741 -108.976 78.8954 -108.975 50.8852 -206.481 78.8965 -206.48 147.795 GPRESSURE: 4164800 -121.45 -54.6076 16.3824 -111.787 141.204 -235.261 -0.536264 -179.726 113.4 PRESSAVG: 4164800 -30.6487 12.5194 -17.7479 12.5194 -31.5401 6.70612 -17.7479 6.70609 3.13359 GPRESSAVG: 4164800 -29.9514 13.972 -19.2872 12.9782 -32.4357 5.44467 -17.2706 7.12241 2.98303 TIMING: 4164800 CPU: 13166.5, 0.00314613/step Wall: 13166.5, 0.00314613/step, 0.729902 hours remaining, 236.609375 MB of memory in use. ENERGY: 4164800 3961.7286 20439.4481 14483.5114 253.1444 -203514.7149 2550.9382 0.0000 0.0000 51931.7854 -109894.1589 298.4527 -161825.9443 -109540.5483 298.4024 17.3132 44.3847 760787.8943 -19.6851 -19.8014 PRESSURE: 4165000 -262.087 -83.7539 -362.532 -83.754 -316.76 -248.065 -362.531 -248.063 -291.675 GPRESSURE: 4165000 -233.341 -101.295 -314.007 -121.948 -251.313 -282.166 -365.877 -157.546 -303.254 PRESSAVG: 4165000 46.7116 -48.869 -11.1375 -48.869 -24.2554 -0.0286471 -11.1375 -0.0286762 -29.6335 GPRESSAVG: 4165000 46.7654 -47.868 -10.1357 -49.6321 -23.653 0.685732 -12.2943 -0.376367 -30.3672 TIMING: 4165000 CPU: 13167.2, 0.00314557/step Wall: 13167.2, 0.00314557/step, 0.729598 hours remaining, 236.609375 MB of memory in use. ENERGY: 4165000 3943.8967 20513.6384 14462.4542 244.6015 -203487.3581 2276.7554 0.0000 0.0000 51979.0500 -110066.9620 298.7243 -162046.0119 -109707.6460 298.3017 -290.1737 -262.6360 759668.4768 -2.3924 -2.4183 PRESSURE: 4165200 -222.751 -71.9023 222.203 -71.9019 -56.9484 97.5882 222.202 97.5882 16.8497 GPRESSURE: 4165200 -191.329 -14.386 218.124 -106.557 -18.7459 114.462 191.343 108.532 28.4154 PRESSAVG: 4165200 -11.9332 -17.6607 -8.39984 -17.6606 -15.9807 12.592 -8.39984 12.5921 4.37421 GPRESSAVG: 4165200 -13.9123 -18.1705 -8.67482 -17.663 -14.8563 12.3467 -7.87562 13.2563 5.05133 TIMING: 4165200 CPU: 13167.8, 0.003137/step Wall: 13167.8, 0.003137/step, 0.727435 hours remaining, 236.609375 MB of memory in use. ENERGY: 4165200 4099.5102 20377.4077 14508.4712 244.8553 -203365.0118 2346.3188 0.0000 0.0000 51975.1815 -109813.2672 298.7021 -161788.4486 -109455.4556 298.2886 -87.6164 -60.5532 760753.8317 -7.8466 -7.9057 PRESSURE: 4165400 -61.7971 -28.1097 -76.62 -28.1092 -365.349 18.5342 -76.6201 18.5348 -116.834 GPRESSURE: 4165400 -32.4326 -51.9669 4.50169 -20.7295 -325.88 22.3044 -80.9948 157.71 -115.645 PRESSAVG: 4165400 31.7847 -31.1735 10.0697 -31.1735 -38.6038 -43.7079 10.0696 -43.7078 -8.10565 GPRESSAVG: 4165400 32.9618 -30.3573 9.9935 -33.4327 -40.1084 -43.1197 9.60938 -43.942 -7.91776 TIMING: 4165400 CPU: 13168.4, 0.00316009/step Wall: 13168.4, 0.00316009/step, 0.732615 hours remaining, 236.609375 MB of memory in use. ENERGY: 4165400 3994.8861 20468.2094 14477.8967 239.1801 -203593.3571 2627.1560 0.0000 0.0000 52019.9070 -109766.1218 298.9591 -161786.0288 -109412.3595 298.4643 -181.3267 -157.9857 761156.8210 -4.9749 -5.0214 PRESSURE: 4165600 -75.3608 -144.228 -49.9176 -144.228 -17.5217 26.6651 -49.9178 26.6652 137.773 GPRESSURE: 4165600 -44.7055 -144 -16.9134 -80.5853 86.728 35.3752 26.6953 60.897 96.8289 PRESSAVG: 4165600 -10.9657 13.9944 -13.0867 13.9945 22.0583 29.6595 -13.0866 29.6595 2.04171 GPRESSAVG: 4165600 -10.8281 13.2504 -12.8899 16.2205 22.3947 29.8327 -14.4356 30.1063 1.90904 TIMING: 4165600 CPU: 13169.1, 0.00316428/step Wall: 13169.1, 0.00316428/step, 0.733411 hours remaining, 236.609375 MB of memory in use. ENERGY: 4165600 3995.9158 20627.1790 14446.8482 243.4250 -203750.7851 2825.6836 0.0000 0.0000 51875.9332 -109735.8004 298.1317 -161611.7336 -109375.2593 299.0989 14.9635 46.2838 759230.5673 4.3781 4.4919 PRESSURE: 4165800 -23.4361 -30.0842 5.68294 -30.0841 21.7636 220.885 5.68266 220.884 -46.562 GPRESSURE: 4165800 14.3299 -5.88671 -10.4524 -80.7713 31.3517 227.796 -23.9465 310.246 -2.62764 PRESSAVG: 4165800 -61.4966 56.9077 -46.8373 56.9078 30.2851 20.6724 -46.8372 20.6724 -12.1283 GPRESSAVG: 4165800 -60.9913 56.058 -46.2209 57.3927 29.8687 18.3342 -46.0328 19.7908 -12.8644 TIMING: 4165800 CPU: 13169.7, 0.0031472/step Wall: 13169.7, 0.0031472/step, 0.729275 hours remaining, 236.609375 MB of memory in use. ENERGY: 4165800 3887.7555 20538.7004 14427.2447 260.6838 -203807.6672 2709.4600 0.0000 0.0000 52263.7282 -109720.0945 300.3604 -161983.8227 -109352.8821 298.8346 -16.0782 14.3513 760167.0576 -14.4466 -14.6623 PRESSURE: 4166000 111.539 12.4049 82.8097 12.404 29.354 -101.981 82.8093 -101.98 -2.99596 GPRESSURE: 4166000 138.382 66.435 114.038 61.0343 90.9559 -53.588 70.2235 37.0924 -11.6823 PRESSAVG: 4166000 5.38535 -35.4091 -20.3675 -35.4092 -9.83817 39.2051 -20.3676 39.2052 -1.99946 GPRESSAVG: 4166000 4.18023 -33.8325 -20.062 -37.9104 -9.34946 39.4414 -20.8385 39.9617 -1.29713 TIMING: 4166000 CPU: 13170.3, 0.00317462/step Wall: 13170.3, 0.00317462/step, 0.735453 hours remaining, 236.609375 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: 4166000 3960.6196 20622.6558 14472.1828 268.3098 -203504.5420 2620.8665 0.0000 0.0000 51949.9614 -109609.9461 298.5571 -161559.9075 -109244.9595 299.1088 45.9657 72.5520 761252.3308 -2.1508 -2.1555 PRESSURE: 4166200 -122.516 -167.459 27.058 -167.46 -60.0999 -15.368 27.058 -15.3678 -145.087 GPRESSURE: 4166200 27.7761 -92.5017 27.6565 -77.36 -109.951 -33.7502 81.7663 -76.0649 -144.838 PRESSAVG: 4166200 -28.2336 11.8264 45.6522 11.8264 6.24568 26.9366 45.6523 26.9366 9.42963 GPRESSAVG: 4166200 -26.9561 9.61332 45.3625 15.0175 4.80434 28.1106 45.7861 27.2247 9.67018 TIMING: 4166200 CPU: 13171, 0.00315704/step Wall: 13171, 0.00315704/step, 0.731206 hours remaining, 236.609375 MB of memory in use. ENERGY: 4166200 4036.3707 20575.7301 14487.7750 246.3736 -203436.9801 2353.4466 0.0000 0.0000 51948.1355 -109789.1485 298.5466 -161737.2840 -109427.0002 298.7981 -109.2344 -75.6709 760424.2576 -4.1861 -4.1605 PRESSURE: 4166400 47.0567 134.207 -20.8854 134.207 119.038 39.8274 -20.8849 39.8277 7.5328 GPRESSURE: 4166400 113.806 14.4788 -5.65274 184.174 158.841 108.314 -23.0986 79.4264 -2.36294 PRESSAVG: 4166400 33.3447 45.2399 -83.6855 45.2398 -4.6333 6.52125 -83.6855 6.52134 -6.97492 GPRESSAVG: 4166400 32.4947 45.0569 -84.1525 44.8053 -3.06141 6.82066 -82.6825 5.74254 -7.6527 TIMING: 4166400 CPU: 13171.6, 0.00314454/step Wall: 13171.6, 0.00314454/step, 0.728136 hours remaining, 236.609375 MB of memory in use. ENERGY: 4166400 3963.3012 20466.2672 14460.0509 262.9204 -203389.3922 2400.3822 0.0000 0.0000 52289.3256 -109547.1447 300.5075 -161836.4703 -109181.7331 299.0855 57.8760 90.0947 759774.0436 7.2455 7.2602 PRESSURE: 4166600 146.576 102.392 -2.97296 102.393 -404.316 -18.5645 -2.97311 -18.5655 -195.698 GPRESSURE: 4166600 -30.3682 84.9717 24.2762 136.045 -265.436 -23.6817 83.545 8.18613 -88.915 PRESSAVG: 4166600 34.5533 -6.12657 -0.579113 -6.12655 29.6765 19.921 -0.579119 19.921 -2.6625 GPRESSAVG: 4166600 34.2359 -5.70077 0.148171 -4.80142 29.2836 20.5971 -1.01333 19.7679 -2.22731 TIMING: 4166600 CPU: 13172.2, 0.00319369/step Wall: 13172.2, 0.00319369/step, 0.739339 hours remaining, 236.609375 MB of memory in use. ENERGY: 4166600 3971.7039 20556.6717 14528.6736 245.7778 -203330.3000 2470.1801 0.0000 0.0000 51956.1382 -109601.1548 298.5926 -161557.2930 -109243.1498 299.1527 -151.1460 -128.2396 760815.5555 20.5224 20.4307 PRESSURE: 4166800 16.4131 -123.925 15.1605 -123.924 -40.019 -30.0671 15.1608 -30.0669 -185.468 GPRESSURE: 4166800 98.5554 -99.9144 16.5631 -125.33 -108.787 109.908 24.6248 -36.9592 -113.757 PRESSAVG: 4166800 -7.6204 -9.29698 -12.2222 -9.29693 1.33628 -19.7815 -12.2221 -19.7815 -14.8293 GPRESSAVG: 4166800 -7.71777 -7.49687 -12.5173 -12.7578 -0.501844 -19.9531 -12.0064 -17.818 -13.7223 TIMING: 4166800 CPU: 13172.9, 0.00316122/step Wall: 13172.9, 0.00316122/step, 0.731648 hours remaining, 236.609375 MB of memory in use. ENERGY: 4166800 3901.7567 20670.0454 14481.5498 228.6845 -203542.4182 2596.8438 0.0000 0.0000 52077.1992 -109586.3389 299.2884 -161663.5381 -109220.5889 299.3426 -69.6912 -41.3298 760866.7774 -7.0378 -7.3140 PRESSURE: 4167000 -146.216 82.0272 -59.426 82.0272 60.3879 -172.278 -59.4256 -172.278 -8.38055 GPRESSURE: 4167000 -202.837 152.41 -114.395 93.0257 170.581 -253.677 -36.0945 14.4578 9.99869 PRESSAVG: 4167000 -26.9759 -19.2715 63.0109 -19.2715 64.5149 -26.3559 63.0109 -26.3558 -9.80858 GPRESSAVG: 4167000 -28.0271 -20.1016 62.2721 -17.3617 66.8919 -26.3896 63.3545 -27.2019 -11.6621 TIMING: 4167000 CPU: 13173.5, 0.0031638/step Wall: 13173.5, 0.0031638/step, 0.732068 hours remaining, 236.609375 MB of memory in use. ENERGY: 4167000 4020.6387 20500.4078 14532.0308 236.7096 -203736.7942 2645.0457 0.0000 0.0000 52071.2813 -109730.6803 299.2544 -161801.9616 -109368.2595 298.5802 -31.4030 -7.4192 760388.0365 9.2435 9.0676 PRESSURE: 4167200 -336.975 27.7455 -8.59269 27.7455 -32.2815 -181.695 -8.59246 -181.696 -223.149 GPRESSURE: 4167200 -294.722 -128.047 11.0906 33.3423 8.33281 -146.212 46.9908 -52.5875 -205.489 PRESSAVG: 4167200 1.56561 -45.7852 3.00254 -45.7852 -5.50869 16.2117 3.00259 16.2117 17.6622 GPRESSAVG: 4167200 1.41309 -44.9913 3.3058 -47.555 -5.67875 14.8847 2.70116 15.9437 17.8241 TIMING: 4167200 CPU: 13174.1, 0.00316497/step Wall: 13174.1, 0.00316497/step, 0.732163 hours remaining, 236.609375 MB of memory in use. ENERGY: 4167200 4060.8139 20456.3449 14408.4373 255.3911 -203388.7086 2495.8806 0.0000 0.0000 52117.6396 -109594.2012 299.5208 -161711.8408 -109237.2988 298.7724 -197.4688 -163.9594 759842.2138 4.5731 4.5195 PRESSURE: 4167400 -117.098 71.6739 -155.124 71.6735 64.9961 -93.1054 -155.125 -93.1055 91.2312 GPRESSURE: 4167400 29.6276 10.0109 -292.547 32.5248 4.08333 -57.3636 -183.431 -153.231 92.8015 PRESSAVG: 4167400 -64.6614 -22.5179 -16.716 -22.518 58.5667 -13.9898 -16.716 -13.9898 2.74498 GPRESSAVG: 4167400 -64.0808 -25.4303 -16.0849 -22.1223 58.0311 -13.7619 -17.3375 -13.7797 2.47893 TIMING: 4167400 CPU: 13174.8, 0.00315408/step Wall: 13174.8, 0.00315408/step, 0.729468 hours remaining, 236.609375 MB of memory in use. ENERGY: 4167400 3961.8266 20495.3475 14455.5976 238.5455 -203708.4798 2917.8972 0.0000 0.0000 51977.8229 -109661.4425 298.7173 -161639.2654 -109294.4666 299.0978 13.0431 42.1708 759952.7097 -1.1166 -1.1903 PRESSURE: 4167600 -90.3697 -181.561 64.6717 -181.562 -278.509 87.6329 64.6714 87.6331 276.666 GPRESSURE: 4167600 -46.7009 -112.599 82.346 -36.8307 -199.323 76.4578 -13.0086 108.73 219.859 PRESSAVG: 4167600 -42.1163 -16.8948 -25.2804 -16.8948 56.8647 -9.36654 -25.2803 -9.36667 -8.73777 GPRESSAVG: 4167600 -42.7869 -14.0273 -25.835 -18.2204 57.1869 -9.41322 -23.2858 -9.66348 -8.72958 TIMING: 4167600 CPU: 13175.4, 0.00315118/step Wall: 13175.4, 0.00315118/step, 0.728623 hours remaining, 236.609375 MB of memory in use. ENERGY: 4167600 3909.1675 20643.0293 14423.0254 247.4243 -203739.3331 2739.1662 0.0000 0.0000 51969.8529 -109807.6676 298.6715 -161777.5204 -109446.7114 299.0434 -30.7376 -8.7216 761143.2620 2.0035 1.8902 PRESSURE: 4167800 81.0969 -88.1327 51.9521 -88.1327 -351.211 262.069 51.9518 262.069 -366.745 GPRESSURE: 4167800 75.329 -137.059 -93.0669 -24.4167 -352.594 232.62 203.84 161.513 -268.052 PRESSAVG: 4167800 -47.5919 -39.737 46.6393 -39.737 9.15628 14.8066 46.6393 14.8066 17.3092 GPRESSAVG: 4167800 -47.6491 -40.3788 45.3364 -39.1624 9.10352 15.5577 46.2552 14.4747 16.7049 TIMING: 4167800 CPU: 13176, 0.00313669/step Wall: 13176, 0.00313668/step, 0.725097 hours remaining, 236.609375 MB of memory in use. ENERGY: 4167800 3965.8273 20607.5314 14479.1735 237.9493 -203488.8609 2359.4366 0.0000 0.0000 52137.1536 -109701.7892 299.6329 -161838.9428 -109347.1145 298.6919 -212.2864 -181.7723 761577.5755 -7.0422 -7.2802 PRESSURE: 4168000 -118.947 -127.41 31.6157 -127.41 -251.978 -143.336 31.6162 -143.336 61.1386 GPRESSURE: 4168000 -27.6002 -150.289 38.7138 -165.475 -240.856 -153.434 -72.6811 -106.006 32.9844 PRESSAVG: 4168000 26.7259 -16.8514 11.379 -16.8514 -24.3273 29.9984 11.3791 29.9985 21.4743 GPRESSAVG: 4168000 25.9864 -17.8352 13.3819 -16.6438 -25.2052 31.6096 11.5016 28.9061 22.3753 TIMING: 4168000 CPU: 13176.6, 0.00314796/step Wall: 13176.6, 0.00314796/step, 0.727529 hours remaining, 236.609375 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: 4168000 3971.4864 20555.9437 14517.8827 266.6069 -203463.5990 2560.4349 0.0000 0.0000 51859.4711 -109731.7734 298.0371 -161591.2445 -109356.3379 298.6954 -103.2623 -78.4906 761697.3810 7.9576 7.7188 PRESSURE: 4168200 -166.91 55.5804 190.285 55.5813 70.0869 -126.384 190.285 -126.383 -205.169 GPRESSURE: 4168200 -122.264 138.215 195.732 82.5891 150.655 -143.355 170.248 -50.2372 -250.341 PRESSAVG: 4168200 -16.9556 -7.50385 41.3161 -7.50384 -29.042 -0.349157 41.3161 -0.349171 11.4531 GPRESSAVG: 4168200 -15.7991 -7.76917 40.7654 -4.464 -29.4679 -0.629775 39.433 -0.0646434 10.7247 TIMING: 4168200 CPU: 13177.3, 0.00314911/step Wall: 13177.3, 0.00314911/step, 0.727619 hours remaining, 236.609375 MB of memory in use. ENERGY: 4168200 4033.1773 20557.6099 14479.7306 268.4756 -203616.1786 2725.1850 0.0000 0.0000 51967.8709 -109584.1293 298.6601 -161552.0003 -109229.1545 298.4407 -100.6639 -73.9834 760862.4582 -11.5148 -11.5141 LDB: ============= START OF LOAD BALANCING ============== 13189.8 LDB: ============== END OF LOAD BALANCING =============== 13189.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13189.8 LDB: ============= START OF LOAD BALANCING ============== 13190.1 LDB: Largest compute 7074 load 0.031632 is 16.2% of average load 0.195527 LDB: Average compute 0.004375 is 2.2% of average load 0.195527 LDB: TIME 13190.1 LOAD: AVG 0.195527 MAX 0.213445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.156 MB LDB: TIME 13190.1 LOAD: AVG 0.195527 MAX 0.213445 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: TIME 13190.1 LOAD: AVG 0.195527 MAX 0.213445 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.156 MB LDB: ============== END OF LOAD BALANCING =============== 13190.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13190.1 PRESSURE: 4168400 -136.632 8.67574 96.8023 8.67548 110.923 60.5063 96.8015 60.5071 -226.774 GPRESSURE: 4168400 -98.493 30.9361 96.0845 -17.1539 92.1773 44.1322 144.925 -31.7699 -168.567 PRESSAVG: 4168400 -55.8947 -67.0686 -8.16733 -67.0686 48.8222 -21.0867 -8.16734 -21.0866 -24.1908 GPRESSAVG: 4168400 -55.775 -66.1523 -8.0321 -69.2091 49.2549 -21.9876 -6.14349 -20.6509 -24.4295 TIMING: 4168400 CPU: 13177.9, 0.00321436/step Wall: 13177.9, 0.00321436/step, 0.742517 hours remaining, 237.636719 MB of memory in use. ENERGY: 4168400 3907.8363 20596.3900 14531.4778 233.0082 -203098.6466 2381.2323 0.0000 0.0000 51976.1935 -109472.5083 298.7079 -161448.7019 -109112.3925 299.0101 -84.1609 -58.2942 762676.2885 -10.4211 -10.3165 PRESSURE: 4168600 125.552 32.7769 -46.6631 32.7783 -129.38 -232.117 -46.6638 -232.116 185.558 GPRESSURE: 4168600 176.999 27.8842 -7.69273 44.6624 -110.939 -130.492 -194.733 -266.573 174.988 PRESSAVG: 4168600 4.61353 -23.6286 1.71796 -23.6286 -52.5809 -24.1813 1.71799 -24.1813 11.5095 GPRESSAVG: 4168600 2.74944 -25.7887 1.67036 -21.9685 -50.4802 -22.3459 2.07095 -24.5308 12.1273 TIMING: 4168600 CPU: 13178.5, 0.00315562/step Wall: 13178.5, 0.00315562/step, 0.728773 hours remaining, 238.097656 MB of memory in use. ENERGY: 4168600 3997.9507 20554.7776 14466.1614 256.1644 -203263.7711 2346.1584 0.0000 0.0000 52274.5267 -109368.0318 300.4224 -161642.5585 -109007.8182 299.3080 60.5768 80.3493 761723.4302 -12.1526 -11.8678 PRESSURE: 4168800 -164.515 -140.915 32.4362 -140.915 256.384 -132.022 32.4361 -132.022 63.7266 GPRESSURE: 4168800 -82.1568 -29.25 58.5273 -63.4913 182.994 32.8841 98.6217 -101.613 119.738 PRESSAVG: 4168800 -77.8355 -44.8589 -31.1265 -44.859 69.0015 -19.2899 -31.1265 -19.2899 -9.68433 GPRESSAVG: 4168800 -76.7629 -44.0718 -31.942 -45.1195 67.1332 -20.1506 -31.4302 -18.3722 -9.08233 TIMING: 4168800 CPU: 13179.2, 0.00315303/step Wall: 13179.2, 0.00315303/step, 0.727999 hours remaining, 238.097656 MB of memory in use. ENERGY: 4168800 3976.8936 20595.0554 14562.7991 270.4722 -203434.2773 2667.5290 0.0000 0.0000 52067.2319 -109294.2964 299.2311 -161361.5282 -108935.4784 300.1516 51.8652 73.5249 760169.4471 -6.1728 -6.2373 PRESSURE: 4169000 215.419 -119.24 -314.752 -119.24 -52.3056 -42.4017 -314.751 -42.4021 -39.3345 GPRESSURE: 4169000 150.318 -50.5722 -407.699 -157.687 73.2299 -92.0399 -298.862 56.9756 -7.08951 PRESSAVG: 4169000 -3.51394 -30.0928 -35.857 -30.0928 -2.7282 -29.815 -35.857 -29.815 -7.45376 GPRESSAVG: 4169000 -4.45287 -29.6778 -35.5993 -28.1172 -1.65238 -30.1917 -36.8977 -30.1971 -7.70358 TIMING: 4169000 CPU: 13179.8, 0.0031457/step Wall: 13179.8, 0.0031457/step, 0.726132 hours remaining, 238.097656 MB of memory in use. ENERGY: 4169000 3926.8693 20462.2842 14482.4776 273.6445 -203686.0601 2860.3682 0.0000 0.0000 52101.8489 -109578.5674 299.4300 -161680.4162 -109215.4564 299.6694 41.2595 72.1526 759123.1734 -4.5653 -4.6029 PRESSURE: 4169200 -320.916 -130.314 99.0443 -130.315 -437.431 30.7664 99.0446 30.7659 174.893 GPRESSURE: 4169200 -222.541 -102.201 191.456 -267.346 -421.314 0.963532 93.2379 -35.0731 123.719 PRESSAVG: 4169200 3.23442 -55.6099 -55.2504 -55.6099 -11.1507 -56.5249 -55.2505 -56.5249 -21.0711 GPRESSAVG: 4169200 3.62629 -54.4826 -54.0754 -59.6617 -11.2888 -56.3116 -55.1415 -55.4794 -21.0931 TIMING: 4169200 CPU: 13180.4, 0.00314901/step Wall: 13180.4, 0.00314901/step, 0.726722 hours remaining, 238.097656 MB of memory in use. ENERGY: 4169200 3925.5117 20576.9477 14501.4993 234.8621 -203084.7191 2340.1190 0.0000 0.0000 52194.9887 -109310.7905 299.9653 -161505.7793 -108946.9250 299.6275 -194.4846 -173.3788 761676.8811 -9.6625 -9.5852 PRESSURE: 4169400 120.147 -157.763 104.46 -157.762 -28.8921 53.2822 104.46 53.282 -177.295 GPRESSURE: 4169400 81.778 -239.675 73.0757 -180.963 0.401411 2.77322 153.038 -81.1097 -84.3657 PRESSAVG: 4169400 -18.1994 -91.494 15.1752 -91.4941 -13.921 -27.048 15.1752 -27.048 28.0201 GPRESSAVG: 4169400 -18.2625 -93.0796 14.6217 -89.7549 -13.6503 -27.2156 15.1357 -27.8886 27.8161 TIMING: 4169400 CPU: 13181.1, 0.00314411/step Wall: 13181.1, 0.00314411/step, 0.725416 hours remaining, 238.097656 MB of memory in use. ENERGY: 4169400 3983.3027 20618.0589 14444.8908 263.3500 -203329.0471 2657.8810 0.0000 0.0000 51938.4602 -109423.1034 298.4910 -161361.5637 -109065.3957 299.5188 -28.6801 -0.7288 763226.6416 -1.3668 -1.3656 PRESSURE: 4169600 4.05787 -140.738 -165.844 -140.737 120.597 -224.412 -165.844 -224.413 553.031 GPRESSURE: 4169600 -18.7919 -274.098 -176.742 -103.191 247.837 -223.742 -82.2155 -198.505 523.354 PRESSAVG: 4169600 -4.70388 -71.5515 -3.47232 -71.5515 -57.3654 -27.8889 -3.47231 -27.8889 -13.4903 GPRESSAVG: 4169600 -4.7421 -73.3616 -2.5045 -71.4622 -58.5982 -28.8529 -3.23566 -26.8596 -12.5746 TIMING: 4169600 CPU: 13181.7, 0.00315833/step Wall: 13181.7, 0.00315833/step, 0.72852 hours remaining, 238.097656 MB of memory in use. ENERGY: 4169600 3964.5075 20518.6599 14462.8556 256.4223 -203121.0755 2574.8424 0.0000 0.0000 51934.5098 -109409.2779 298.4683 -161343.7877 -109046.8765 298.9103 225.8955 250.7995 760455.2150 -25.1865 -25.3050 PRESSURE: 4169800 -131.449 -97.7962 -33.8401 -97.7961 191.18 85.5318 -33.8399 85.5324 -269.237 GPRESSURE: 4169800 43.4442 -27.7036 11.3409 -147.563 44.1559 86.5568 -92.0769 -41.8882 -202.937 PRESSAVG: 4169800 29.8033 -71.2966 -7.35507 -71.2966 5.53462 -32.2853 -7.35504 -32.2853 -4.87682 GPRESSAVG: 4169800 30.3857 -68.3486 -6.4212 -71.4801 6.68842 -30.7654 -6.0384 -31.9989 -6.38883 TIMING: 4169800 CPU: 13182.3, 0.00315971/step Wall: 13182.3, 0.00315971/step, 0.728664 hours remaining, 238.097656 MB of memory in use. ENERGY: 4169800 3985.3006 20482.4231 14459.0901 225.8218 -203103.6113 2305.2071 0.0000 0.0000 52086.4441 -109559.3246 299.3415 -161645.7687 -109201.1253 299.3219 -69.8351 -38.4456 761028.3889 10.1537 10.2284 PRESSURE: 4170000 122.924 -83.7599 12.2936 -83.7595 67.3797 -185.531 12.2936 -185.531 64.7812 GPRESSURE: 4170000 183.765 -66.725 -8.80923 32.0403 107.895 -148.433 -27.0628 -82.9829 41.0597 PRESSAVG: 4170000 -25.8573 -20.09 30.2162 -20.09 19.4423 -23.0535 30.2161 -23.0536 2.15526 GPRESSAVG: 4170000 -25.5042 -19.2209 29.2094 -19.7724 18.7864 -22.6857 28.9228 -22.5698 2.07492 TIMING: 4170000 CPU: 13183, 0.00316204/step Wall: 13183, 0.00316204/step, 0.729025 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: 4170000 3925.7856 20459.6189 14570.8157 255.6897 -203723.5016 2716.2121 0.0000 0.0000 52404.0013 -109391.3783 301.1665 -161795.3796 -109020.6097 299.6880 85.0282 110.9067 758880.0576 -1.4199 -1.5476 PRESSURE: 4170200 -210.975 53.5337 46.3971 53.534 371.193 7.27705 46.3967 7.27668 -593.997 GPRESSURE: 4170200 -182.176 23.9379 86.532 25.1443 348.019 -55.5202 71.8261 55.6302 -501.269 PRESSAVG: 4170200 -1.60713 -86.2672 5.13333 -86.2671 -9.08878 -10.0823 5.13334 -10.0823 -16.043 GPRESSAVG: 4170200 -2.53563 -87.4994 5.14029 -86.5693 -7.43657 -10.1713 3.91019 -11.2227 -16.5118 TIMING: 4170200 CPU: 13183.6, 0.00317732/step Wall: 13183.6, 0.00317732/step, 0.732373 hours remaining, 238.097656 MB of memory in use. ENERGY: 4170200 3978.6939 20466.2035 14576.8180 226.3895 -203390.1389 2719.1716 0.0000 0.0000 51991.9691 -109430.8932 298.7986 -161422.8623 -109052.7469 299.6025 -144.5930 -111.8089 760863.0964 -8.9130 -8.8280 PRESSURE: 4170400 -64.2922 -172.027 -60.8404 -172.029 -136.01 -56.2499 -60.8407 -56.2495 519.845 GPRESSURE: 4170400 22.4434 -31.0129 -35.0568 -246.713 -152.073 -21.2574 31.6219 11.2012 516.494 PRESSAVG: 4170400 -34.9205 -90.4706 -39.5311 -90.4706 20.7051 3.457 -39.5311 3.45705 4.84954 GPRESSAVG: 4170400 -32.9711 -90.8012 -40.6013 -90.6661 18.6906 1.74525 -39.3122 4.70257 4.79042 TIMING: 4170400 CPU: 13184.2, 0.00316363/step Wall: 13184.2, 0.00316363/step, 0.729041 hours remaining, 238.097656 MB of memory in use. ENERGY: 4170400 3936.0387 20561.8312 14468.2594 232.6519 -203720.8864 2601.7126 0.0000 0.0000 52444.4674 -109475.9251 301.3991 -161920.3925 -109106.1400 299.4721 106.5142 128.9548 760220.4345 -3.1219 -3.1634 PRESSURE: 4170600 129.125 -50.3819 11.4079 -50.3828 -345.661 -141.063 11.408 -141.061 314.079 GPRESSURE: 4170600 113.228 -114.734 -26.6445 -89.3696 -236.593 -175.581 97.7258 -214.616 275.79 PRESSAVG: 4170600 24.8018 -59.074 33.1913 -59.0741 -12.7883 -15.4027 33.1913 -15.4028 7.08592 GPRESSAVG: 4170600 23.9689 -60.2432 34.7232 -58.6203 -12.1944 -15.6368 33.8039 -15.1696 6.85878 TIMING: 4170600 CPU: 13184.9, 0.00317595/step Wall: 13184.9, 0.00317595/step, 0.731703 hours remaining, 238.097656 MB of memory in use. ENERGY: 4170600 3992.8661 20579.1644 14432.3525 229.7678 -203226.0817 2209.7606 0.0000 0.0000 52229.5969 -109552.5735 300.1642 -161782.1704 -109199.9433 299.5714 32.5141 50.8085 760696.7991 6.3665 6.2111 PRESSURE: 4170800 -94.1796 -107.728 83.4617 -107.728 -148.962 347.058 83.4617 347.058 25.1733 GPRESSURE: 4170800 1.79015 -100.929 159.799 -142.586 -111.133 312.744 -32.9852 247.083 -25.4699 PRESSAVG: 4170800 13.4706 -56.5891 7.33981 -56.589 -54.2352 -25.6797 7.33982 -25.6797 -1.61037 GPRESSAVG: 4170800 12.8543 -54.8647 7.99625 -55.7563 -54.6686 -26.2135 7.74601 -24.9627 -0.54077 TIMING: 4170800 CPU: 13185.5, 0.00319729/step Wall: 13185.5, 0.00319729/step, 0.736443 hours remaining, 238.097656 MB of memory in use. ENERGY: 4170800 3967.0539 20635.6703 14534.0892 252.6612 -203051.1710 2247.2441 0.0000 0.0000 52107.6701 -109306.7822 299.4635 -161414.4523 -108943.8464 299.2727 -72.6561 -44.9375 761400.5819 -14.1250 -14.1183 PRESSURE: 4171000 18.9049 71.0131 238.763 71.0137 365.338 73.5129 238.763 73.5129 192.608 GPRESSURE: 4171000 91.1009 65.0928 204.174 147.715 381.53 64.5406 180.566 0.132589 177.976 PRESSAVG: 4171000 77.1813 -80.3677 20.9123 -80.3678 -68.3656 -46.099 20.9122 -46.099 10.0174 GPRESSAVG: 4171000 77.8257 -80.2705 19.252 -81.6845 -68.0412 -45.2445 20.2344 -47.7488 9.55149 TIMING: 4171000 CPU: 13186.1, 0.00319645/step Wall: 13186.1, 0.00319645/step, 0.736072 hours remaining, 238.097656 MB of memory in use. ENERGY: 4171000 4003.0474 20514.7332 14494.1202 257.0448 -203940.3122 3109.3244 0.0000 0.0000 52279.0148 -109283.0274 300.4482 -161562.0423 -108911.1335 299.7234 192.2835 216.8691 759826.2238 6.2777 6.4453 PRESSURE: 4171200 168.863 -29.9434 -295.549 -29.9437 -224.318 62.2045 -295.548 62.2047 92.3772 GPRESSURE: 4171200 253.988 -76.1681 -360.802 -106.224 -189.705 -42.5328 -112.293 -30.6105 80.4608 PRESSAVG: 4171200 66.6905 -26.388 44.1698 -26.3879 -88.2211 -47.7103 44.1697 -47.7103 17.5065 GPRESSAVG: 4171200 66.1292 -26.7063 44.4048 -24.7769 -87.4042 -47.3898 45.6276 -48.5233 16.8542 TIMING: 4171200 CPU: 13186.8, 0.00317161/step Wall: 13186.8, 0.00317161/step, 0.730175 hours remaining, 238.097656 MB of memory in use. ENERGY: 4171200 4022.7807 20395.0016 14550.8567 238.3091 -203078.9472 2441.7515 0.0000 0.0000 52061.3708 -109368.8768 299.1974 -161430.2476 -109012.2853 299.4941 12.3074 48.2480 761247.2498 -1.3414 -1.4736 PRESSURE: 4171400 -2.16328 -17.3819 -36.1227 -17.3822 -132.977 -17.3491 -36.1219 -17.3484 288.084 GPRESSURE: 4171400 29.0479 128.309 0.447756 58.0986 -175.241 -1.48597 -1.70112 -15.9792 371.922 PRESSAVG: 4171400 40.5074 -15.8345 0.43029 -15.8346 -2.96677 -28.778 0.430319 -28.778 15.185 GPRESSAVG: 4171400 39.5059 -14.8929 1.82211 -18.0795 -2.88113 -29.7634 -1.11352 -26.3947 16.0873 TIMING: 4171400 CPU: 13187.4, 0.00317801/step Wall: 13187.4, 0.00317801/step, 0.731473 hours remaining, 238.097656 MB of memory in use. ENERGY: 4171400 3919.0200 20522.2692 14492.6124 262.6386 -203130.2070 2400.2132 0.0000 0.0000 52053.5158 -109479.9379 299.1523 -161533.4537 -109116.8082 299.8349 50.9811 75.2429 760597.9636 17.5752 17.5707 PRESSURE: 4171600 -310.917 69.6806 70.0385 69.6805 -110.361 107.035 70.0379 107.035 -312.224 GPRESSURE: 4171600 -219.066 -51.8595 125.167 116.958 -143.1 74.6642 79.236 111.402 -294.737 PRESSAVG: 4171600 43.9643 -0.832721 -5.13395 -0.832632 -89.9553 36.9682 -5.13391 36.9682 4.81402 GPRESSAVG: 4171600 43.4741 -1.53129 -7.29205 1.96181 -90.1722 37.7241 -4.03918 33.388 5.52541 TIMING: 4171600 CPU: 13188.1, 0.00317506/step Wall: 13188.1, 0.00317506/step, 0.730616 hours remaining, 238.097656 MB of memory in use. ENERGY: 4171600 3938.2859 20493.1286 14456.8958 228.7761 -203061.7585 2209.6007 0.0000 0.0000 52227.3684 -109507.7030 300.1514 -161735.0714 -109127.1857 299.5690 -244.5007 -218.9675 760855.5753 -13.7256 -13.7242 PRESSURE: 4171800 -275.212 113.254 -71.0641 113.253 -449.576 -160.733 -71.065 -160.732 -216.901 GPRESSURE: 4171800 -233.814 176.065 -63.8166 147.737 -300.301 -125.992 -54.9005 -186.114 -319.175 PRESSAVG: 4171800 78.865 -2.3006 -5.14756 -2.30068 -65.1859 -16.0609 -5.14749 -16.0609 10.3595 GPRESSAVG: 4171800 81.6425 -1.67298 -6.03912 -4.48499 -65.8403 -15.2555 -4.74881 -14.6746 8.47131 TIMING: 4171800 CPU: 13188.7, 0.00317104/step Wall: 13188.7, 0.00317104/step, 0.729514 hours remaining, 238.097656 MB of memory in use. ENERGY: 4171800 4049.0164 20441.7623 14531.3671 251.6225 -203740.0033 2699.5883 0.0000 0.0000 52164.5103 -109602.1364 299.7902 -161766.6466 -109235.1545 299.7596 -313.8964 -284.4298 760812.8489 8.0129 8.0912 PRESSURE: 4172000 -281.919 -162.413 105.275 -162.413 -348.42 -106.015 105.275 -106.015 -120.922 GPRESSURE: 4172000 -265.48 -181.678 -21.5249 -238.873 -308.079 -91.7195 78.6844 2.23995 -93.7171 PRESSAVG: 4172000 24.2801 -14.7983 0.220598 -14.7984 -40.7483 6.45729 0.220562 6.45726 24.9618 GPRESSAVG: 4172000 22.5983 -14.6779 1.62466 -15.0851 -38.4874 7.60552 -0.504179 7.01624 25.1597 TIMING: 4172000 CPU: 13189.3, 0.00316381/step Wall: 13189.3, 0.00316381/step, 0.727676 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: 4172000 3984.1247 20553.8475 14505.3061 231.1681 -202996.5841 2151.1678 0.0000 0.0000 51866.1767 -109704.7931 298.0756 -161570.9698 -109343.3715 298.9244 -250.4201 -222.4255 762345.6534 2.8312 3.0902 PRESSURE: 4172200 -160.074 -140.787 -192 -140.787 -15.8801 -255.601 -191.999 -255.601 -53.0418 GPRESSURE: 4172200 -94.2864 -65.7832 -177.277 -109.808 44.6494 -287.12 -87.7123 -163.092 -94.2344 PRESSAVG: 4172200 -24.8463 -49.341 4.56405 -49.341 14.1212 -32.1213 4.56412 -32.1212 18.8101 GPRESSAVG: 4172200 -25.682 -48.06 3.62766 -48.5661 13.8075 -33.2345 5.49552 -33.5745 20.2569 TIMING: 4172200 CPU: 13190, 0.0031745/step Wall: 13190, 0.0031745/step, 0.729959 hours remaining, 238.097656 MB of memory in use. ENERGY: 4172200 3949.9396 20493.8615 14526.3729 236.7244 -203166.1313 2403.4784 0.0000 0.0000 51734.9787 -109820.7758 297.3216 -161555.7544 -109457.0961 298.4855 -76.3319 -47.9571 761744.0446 2.6950 2.7941 LDB: ============= START OF LOAD BALANCING ============== 13202.5 LDB: ============== END OF LOAD BALANCING =============== 13202.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13202.5 LDB: ============= START OF LOAD BALANCING ============== 13202.8 LDB: Largest compute 7058 load 0.033794 is 17.3% of average load 0.195590 LDB: Average compute 0.004372 is 2.2% of average load 0.195590 LDB: TIME 13202.8 LOAD: AVG 0.19559 MAX 0.212901 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.691 MB LDB: TIME 13202.8 LOAD: AVG 0.19559 MAX 0.212901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.691 MB LDB: TIME 13202.8 LOAD: AVG 0.19559 MAX 0.212901 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.691 MB LDB: ============== END OF LOAD BALANCING =============== 13202.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13202.8 PRESSURE: 4172400 351.216 95.1813 99.3572 95.1814 -38.5163 -26.5774 99.3568 -26.578 309.146 GPRESSURE: 4172400 325.235 160.017 46.0485 73.8247 37.4771 -87.3319 103.39 -22.5554 345.102 PRESSAVG: 4172400 13.134 -3.55841 43.8855 -3.55843 -17.7162 -17.1508 43.8856 -17.1507 -8.42711 GPRESSAVG: 4172400 13.5479 -5.47488 44.2005 -1.17647 -17.9072 -16.7658 43.3236 -17.771 -9.15453 TIMING: 4172400 CPU: 13190.6, 0.00324611/step Wall: 13190.6, 0.00324611/step, 0.746245 hours remaining, 234.875000 MB of memory in use. ENERGY: 4172400 3931.0925 20539.9550 14453.5783 247.6472 -203649.5066 2863.8888 0.0000 0.0000 51926.9214 -109686.4234 298.4247 -161613.3449 -109330.3414 298.5921 207.2819 235.9382 760273.8548 -4.3365 -4.5046 PRESSURE: 4172600 39.6071 13.9249 169.708 13.9245 204.428 192.978 169.707 192.978 124.442 GPRESSURE: 4172600 69.1009 14.0784 154.875 110.678 259.07 195.851 213.206 239.552 112.124 PRESSAVG: 4172600 40.4582 -21.0325 81.7058 -21.0325 -30.7969 -24.1231 81.7057 -24.1231 -11.1684 GPRESSAVG: 4172600 39.9905 -18.9651 81.0964 -24.1186 -30.033 -23.4006 81.281 -23.9171 -11.2032 TIMING: 4172600 CPU: 13191.2, 0.00317528/step Wall: 13191.2, 0.00317528/step, 0.729785 hours remaining, 235.078125 MB of memory in use. ENERGY: 4172600 3988.5606 20379.0064 14574.1004 251.8484 -203589.5388 2695.5583 0.0000 0.0000 52230.4066 -109470.0581 300.1689 -161700.4647 -109095.5636 299.2505 122.8258 146.7650 759155.0165 -0.5024 -0.4152 PRESSURE: 4172800 -304.69 117.619 -220.333 117.619 -18.7296 4.61235 -220.332 4.61247 -327.781 GPRESSURE: 4172800 -244.971 102.88 -189.429 160.907 -70.0919 -45.057 -154.245 -119.245 -263.022 PRESSAVG: 4172800 -18.2082 16.8824 28.0379 16.8824 8.93956 -61.3829 28.0379 -61.3828 -1.11191 GPRESSAVG: 4172800 -17.5815 15.5172 29.8518 15.9007 8.56928 -61.8686 27.4107 -59.2575 -1.33383 TIMING: 4172800 CPU: 13191.9, 0.00316243/step Wall: 13191.9, 0.00316243/step, 0.726656 hours remaining, 235.078125 MB of memory in use. ENERGY: 4172800 4003.6122 20621.3899 14569.2921 235.2961 -203737.4643 2779.1732 0.0000 0.0000 52122.2235 -109406.4773 299.5471 -161528.7009 -109048.8629 299.7085 -217.0668 -192.6951 759972.6519 -3.4602 -3.4487 PRESSURE: 4173000 -230.943 15.1079 -3.14083 15.108 -20.3134 -51.1862 -3.14034 -51.1858 405.895 GPRESSURE: 4173000 -156.121 48.6284 38.9183 -24.2363 -62.7898 -2.68736 17.7733 -20.3753 437.515 PRESSAVG: 4173000 -38.2554 -14.4523 -15.5652 -14.4522 121.598 -37.7176 -15.5651 -37.7175 -21.3932 GPRESSAVG: 4173000 -37.4806 -14.0814 -16.5931 -12.0822 119.964 -37.4836 -13.5964 -40.4329 -20.5219 TIMING: 4173000 CPU: 13192.5, 0.00317064/step Wall: 13192.5, 0.00317064/step, 0.728367 hours remaining, 235.078125 MB of memory in use. ENERGY: 4173000 3954.8211 20609.3769 14480.6054 242.8897 -203060.6550 2492.4366 0.0000 0.0000 52063.6572 -109216.8682 299.2106 -161280.5254 -108853.0889 299.8047 51.5463 72.8681 763002.7828 20.6498 20.6539 PRESSURE: 4173200 244.636 -188.721 -298.027 -188.721 -225.169 -93.5867 -298.027 -93.5871 232.342 GPRESSURE: 4173200 179.569 -151.912 -364.69 -184.98 -87.3092 -196.196 -376.235 -39.8443 256.243 PRESSAVG: 4173200 -26.5127 3.54655 17.8364 3.5465 14.3975 -97.0219 17.8365 -97.0219 17.2928 GPRESSAVG: 4173200 -27.1133 3.16595 18.3295 1.58218 15.2775 -98.2306 17.5211 -94.2675 17.0899 TIMING: 4173200 CPU: 13193.1, 0.00316812/step Wall: 13193.1, 0.00316812/step, 0.727612 hours remaining, 235.078125 MB of memory in use. ENERGY: 4173200 4003.0837 20501.0413 14493.5513 235.6447 -203700.3323 2934.0931 0.0000 0.0000 52153.5891 -109379.3292 299.7274 -161532.9183 -109018.3933 299.3006 83.9364 116.1677 761097.8716 1.7259 1.7514 PRESSURE: 4173400 -73.9307 184.109 212.4 184.109 -167.822 24.8076 212.401 24.8074 -346.521 GPRESSURE: 4173400 -114.131 213.412 219.133 136.158 -84.005 -11.5973 140.127 92.5606 -305.192 PRESSAVG: 4173400 1.77102 -24.0014 -6.45717 -24.0015 -21.7965 -0.980784 -6.4571 -0.980736 1.61094 GPRESSAVG: 4173400 1.58331 -23.977 -5.38161 -25.1979 -21.385 0.348339 -9.43714 -3.18946 1.50791 TIMING: 4173400 CPU: 13193.8, 0.00315668/step Wall: 13193.8, 0.00315668/step, 0.724809 hours remaining, 235.078125 MB of memory in use. ENERGY: 4173400 4033.4317 20592.0424 14568.8507 254.7055 -203044.5173 2459.9315 0.0000 0.0000 51841.3472 -109294.2084 297.9329 -161135.5556 -108928.4784 299.6980 -196.0914 -167.7760 764390.1905 -6.1382 -6.0979 PRESSURE: 4173600 88.7734 6.34352 -327.526 6.34388 228.645 -247.893 -327.526 -247.893 386.783 GPRESSURE: 4173600 140.553 -85.2933 -278.506 -17.6268 281.209 -215.309 -408.966 -196.465 366.108 PRESSAVG: 4173600 52.7619 -18.3768 -58.8949 -18.3768 -37.4484 -75.4577 -58.8949 -75.4576 -3.41029 GPRESSAVG: 4173600 52.9196 -17.8672 -60.532 -16.2696 -38.4192 -74.9527 -56.6214 -76.4177 -3.14857 TIMING: 4173600 CPU: 13194.4, 0.00314725/step Wall: 13194.4, 0.00314725/step, 0.722469 hours remaining, 235.078125 MB of memory in use. ENERGY: 4173600 3940.8110 20547.5827 14530.7386 249.9955 -203590.5861 2848.5174 0.0000 0.0000 52207.7550 -109265.1859 300.0387 -161472.9409 -108892.3485 299.5788 234.7337 262.6235 761480.6640 3.9677 3.7839 PRESSURE: 4173800 -440.52 4.28394 -47.9367 4.28347 135.277 34.8041 -47.9373 34.8033 -21.9933 GPRESSURE: 4173800 -329.328 -16.5987 -42.0949 -80.3442 74.7869 -33.9921 -70.7312 3.63803 11.3625 PRESSAVG: 4173800 -6.16919 -77.4209 -64.2272 -77.4209 11.2943 -77.6877 -64.2272 -77.6876 22.2009 GPRESSAVG: 4173800 -6.57876 -76.4057 -64.1832 -79.6237 11.0103 -78.474 -65.6682 -76.8469 22.2185 TIMING: 4173800 CPU: 13195, 0.00316601/step Wall: 13195, 0.00316601/step, 0.7266 hours remaining, 235.078125 MB of memory in use. ENERGY: 4173800 4072.3658 20659.5130 14522.3897 243.1254 -203135.0451 2424.3014 0.0000 0.0000 51933.3513 -109279.9985 298.4617 -161213.3498 -108924.4365 299.7438 -109.0787 -81.0594 761559.6713 9.1087 8.8834 PRESSURE: 4174000 95.7937 22.8399 -104.273 22.84 -287.136 -90.7092 -104.272 -90.7094 -478.816 GPRESSURE: 4174000 99.9951 -100.611 3.58181 20.1683 -211.236 -128.697 -52.8367 15.6824 -468.508 PRESSAVG: 4174000 4.75523 -69.6604 30.8218 -69.6604 26.675 8.5424 30.8218 8.54235 26.2386 GPRESSAVG: 4174000 3.61842 -72.1368 31.9131 -68.1138 28.0049 7.14881 31.6361 8.41509 26.3931 TIMING: 4174000 CPU: 13195.7, 0.00317926/step Wall: 13195.7, 0.00317926/step, 0.729464 hours remaining, 235.078125 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: 4174000 4067.6369 20608.0827 14467.1901 253.9372 -203148.4721 2333.8184 0.0000 0.0000 52204.0432 -109213.7635 300.0174 -161417.8067 -108862.7192 300.0288 -223.3862 -193.2498 760330.7617 19.2229 19.3388 PRESSURE: 4174200 136.138 -18.8323 78.9228 -18.832 74.3235 55.3341 78.9225 55.3348 -313.372 GPRESSURE: 4174200 210.777 20.7629 36.4893 -0.189859 62.7912 43.3798 40.9529 32.9709 -281.4 PRESSAVG: 4174200 44.439 8.93886 -17.4902 8.93891 -23.202 4.35128 -17.4903 4.35135 -16.8532 GPRESSAVG: 4174200 47.1772 8.70551 -19.1754 9.7539 -24.7911 5.8403 -16.033 3.91279 -18.0053 TIMING: 4174200 CPU: 13196.3, 0.00318045/step Wall: 13196.3, 0.00318045/step, 0.72956 hours remaining, 235.078125 MB of memory in use. ENERGY: 4174200 4002.7318 20589.5475 14500.4924 242.0171 -203901.0482 2848.3810 0.0000 0.0000 52392.1556 -109325.7228 301.0984 -161717.8783 -108966.7085 300.3229 -34.3032 -2.6105 759431.2172 1.4613 1.4603 PRESSURE: 4174400 -283.971 -104.049 -78.6856 -104.049 -257.379 -37.7759 -78.6863 -37.7749 -229.996 GPRESSURE: 4174400 -282.151 -33.1354 -49.6571 -0.835916 -143.556 -4.12116 -119.315 -143.236 -253.682 PRESSAVG: 4174400 32.9117 -28.5299 -0.542421 -28.5298 -23.6426 -25.1328 -0.542398 -25.1328 4.74926 GPRESSAVG: 4174400 32.1449 -29.5586 1.1389 -26.713 -21.692 -27.1827 -1.75635 -23.2633 4.1981 TIMING: 4174400 CPU: 13196.9, 0.00316215/step Wall: 13196.9, 0.00316215/step, 0.725186 hours remaining, 235.078125 MB of memory in use. ENERGY: 4174400 4028.9931 20556.3333 14529.1213 253.0386 -203249.1291 2449.5967 0.0000 0.0000 52160.5545 -109271.4916 299.7674 -161432.0462 -108915.4529 300.0435 -257.1154 -226.4630 760590.3021 4.6728 4.8836 PRESSURE: 4174600 202.71 23.6575 30.6951 23.6571 -220.189 -138.248 30.6946 -138.247 -123.738 GPRESSURE: 4174600 187.557 33.8395 70.6663 1.83623 -152.177 -102.329 104.432 -79.6756 -68.1121 PRESSAVG: 4174600 35.712 -18.6408 38.7598 -18.6408 -71.1086 -28.5823 38.7598 -28.5823 14.1995 GPRESSAVG: 4174600 36.3585 -18.1113 40.1611 -18.6147 -71.4426 -26.905 38.7517 -33.682 14.447 TIMING: 4174600 CPU: 13197.6, 0.00317373/step Wall: 13197.6, 0.00317373/step, 0.727665 hours remaining, 235.078125 MB of memory in use. ENERGY: 4174600 3878.6631 20567.2914 14519.1701 244.3322 -203469.0901 2614.1834 0.0000 0.0000 52316.0468 -109329.4031 300.6610 -161645.4499 -108957.8767 300.1822 -47.0724 -10.9107 759910.7731 -7.0657 -6.8790 PRESSURE: 4174800 92.454 212.914 -114.914 212.914 203.224 153.301 -114.914 153.302 78.2397 GPRESSURE: 4174800 147.918 109.769 -57.5905 179.799 250.894 70.1551 -131.711 13.2811 39.4395 PRESSAVG: 4174800 35.3806 -44.3539 30.2922 -44.3539 -25.8597 19.5932 30.2922 19.5932 -30.6961 GPRESSAVG: 4174800 34.8276 -42.8811 28.6812 -45.0443 -26.3232 19.0059 29.7372 23.8573 -29.7005 TIMING: 4174800 CPU: 13198.2, 0.00316438/step Wall: 13198.2, 0.00316438/step, 0.725347 hours remaining, 235.078125 MB of memory in use. ENERGY: 4174800 3909.6562 20576.2604 14474.6831 258.2860 -203422.3124 2631.8565 0.0000 0.0000 52061.1810 -109510.3891 299.1963 -161571.5701 -109140.5376 299.4425 124.6392 146.0837 759272.0492 -7.0584 -7.0654 PRESSURE: 4175000 -116.828 133.792 7.92927 133.792 -153.621 158.194 7.92906 158.194 -142.519 GPRESSURE: 4175000 -180.943 115.151 -40.253 129.999 -27.1959 170.79 -112.098 92.9446 -117.176 PRESSAVG: 4175000 48.8408 -12.8638 -37.9608 -12.8638 -26.7436 -0.397729 -37.9607 -0.39778 9.91347 GPRESSAVG: 4175000 48.9706 -13.5016 -38.1999 -12.4949 -26.4425 -1.07335 -38.9652 -2.20362 9.5343 TIMING: 4175000 CPU: 13198.8, 0.00317237/step Wall: 13198.8, 0.00317237/step, 0.727002 hours remaining, 235.078125 MB of memory in use. ENERGY: 4175000 4076.6718 20454.0014 14491.9127 224.2594 -203150.6058 2316.8224 0.0000 0.0000 52091.0280 -109495.9100 299.3679 -161586.9381 -109132.6178 299.0465 -137.6560 -108.4384 760659.5054 10.6702 10.6875 PRESSURE: 4175200 -11.0113 -70.7317 2.2305 -70.7312 -111.069 57.6232 2.23104 57.6235 -57.2968 GPRESSURE: 4175200 84.7226 -51.2308 22.2506 -19.9651 -105.188 96.2804 174.087 -29.5909 -54.9479 PRESSAVG: 4175200 -11.6664 -71.9743 -19.7763 -71.9743 -19.8122 -50.3493 -19.7762 -50.3494 3.97543 GPRESSAVG: 4175200 -11.7501 -70.7097 -19.8159 -72.0281 -19.5507 -49.3296 -18.2708 -48.9113 4.11493 TIMING: 4175200 CPU: 13199.5, 0.00315851/step Wall: 13199.5, 0.00315851/step, 0.723651 hours remaining, 235.078125 MB of memory in use. ENERGY: 4175200 4014.2171 20461.5228 14547.2710 255.0043 -203264.0742 2505.5051 0.0000 0.0000 51843.9873 -109636.5666 297.9481 -161480.5539 -109276.2565 298.6906 -59.7925 -25.1378 760680.6492 -9.1677 -9.0620 PRESSURE: 4175400 -213.352 -40.8449 210.767 -40.8444 81.8731 -8.11408 210.767 -8.1143 180.009 GPRESSURE: 4175400 -242.825 -65.9523 42.2713 4.13541 163.435 83.5234 162.963 -23.9751 207.89 PRESSAVG: 4175400 12.6776 -26.1642 -23.6008 -26.1642 -17.5509 50.095 -23.6007 50.095 -13.2264 GPRESSAVG: 4175400 13.9282 -26.6109 -23.7871 -28.175 -18.3879 48.8886 -24.2912 50.591 -13.2636 TIMING: 4175400 CPU: 13200.1, 0.00316516/step Wall: 13200.1, 0.00316516/step, 0.724997 hours remaining, 235.078125 MB of memory in use. ENERGY: 4175400 3954.4733 20674.1217 14535.4316 255.3895 -203798.7087 2774.6938 0.0000 0.0000 52007.8790 -109596.7198 298.8900 -161604.5988 -109229.8044 299.0444 16.1767 42.8333 760566.0037 -6.0332 -5.9077 PRESSURE: 4175600 106.454 -166.077 124.188 -166.076 -244.884 177.028 124.187 177.028 208.081 GPRESSURE: 4175600 76.2302 -81.4736 89.8829 -92.0744 -171.017 133.847 -30.6798 13.6487 241.896 PRESSAVG: 4175600 19.0502 -66.51 3.12621 -66.51 -26.2831 49.2823 3.12624 49.2823 16.4662 GPRESSAVG: 4175600 18.4166 -66.4329 4.12093 -66.4106 -25.2268 50.6923 3.60878 47.7249 15.7894 TIMING: 4175600 CPU: 13200.7, 0.00317399/step Wall: 13200.7, 0.00317399/step, 0.726843 hours remaining, 235.078125 MB of memory in use. ENERGY: 4175600 3926.9225 20574.3867 14433.0164 256.6520 -203592.7241 2667.6623 0.0000 0.0000 51993.4208 -109740.6634 298.8069 -161734.0842 -109368.5992 299.2905 23.2169 49.0365 759491.8339 3.0778 2.9931 PRESSURE: 4175800 -166.153 97.546 -188.314 97.5455 19.4607 -110.028 -188.314 -110.028 -91.0806 GPRESSURE: 4175800 -164.826 196.124 -135.913 143.33 76.7554 -25.9603 -114.056 -115.179 -47.9174 PRESSAVG: 4175800 -45.6759 17.5262 36.7563 17.5262 5.25672 -35.0877 36.7563 -35.0877 -10.1973 GPRESSAVG: 4175800 -44.7512 18.3106 36.308 18.6321 4.60413 -34.7113 37.1332 -33.629 -9.84638 TIMING: 4175800 CPU: 13201.4, 0.00315838/step Wall: 13201.4, 0.00315838/step, 0.723093 hours remaining, 235.078125 MB of memory in use. ENERGY: 4175800 3971.1264 20430.8705 14465.5576 273.1723 -203595.9680 2557.7709 0.0000 0.0000 52113.5610 -109783.9094 299.4974 -161897.4704 -109418.5882 298.5179 -79.2578 -45.3293 760532.0316 -16.8722 -16.6645 PRESSURE: 4176000 19.1202 91.5847 43.53 91.5841 -97.739 -258.732 43.5307 -258.733 26.7072 GPRESSURE: 4176000 -35.8177 194.241 77.7735 8.21362 84.0624 -217.336 -72.4089 -199.028 -0.93041 PRESSAVG: 4176000 -42.5255 16.7054 -21.2974 16.7054 42.3323 -15.2563 -21.2974 -15.2564 -1.73978 GPRESSAVG: 4176000 -43.5065 15.3007 -19.9521 15.6352 43.9609 -14.5956 -20.9703 -15.5514 -2.59856 TIMING: 4176000 CPU: 13202, 0.00314989/step Wall: 13202, 0.00314989/step, 0.720975 hours remaining, 235.078125 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: 4176000 4043.4862 20340.1687 14446.0449 250.7531 -203469.9539 2671.6833 0.0000 0.0000 52043.2829 -109674.5348 299.0935 -161717.8177 -109310.7388 298.7162 -17.3038 15.7714 762922.3994 -0.6443 -0.7147 PRESSURE: 4176200 -12.1192 -99.8092 33.4974 -99.8098 328.15 16.3767 33.498 16.3774 -151.104 GPRESSURE: 4176200 21.1173 -196.44 54.0178 -103.938 327.169 101.619 89.3787 -45.3831 -92.2113 PRESSAVG: 4176200 -48.7802 39.5923 12.2786 39.5924 6.70975 -11.2428 12.2786 -11.2429 -23.6019 GPRESSAVG: 4176200 -48.9642 40.0077 10.6304 39.774 5.84832 -11.7562 13.2434 -10.8488 -22.2805 TIMING: 4176200 CPU: 13202.6, 0.00315889/step Wall: 13202.6, 0.00315889/step, 0.722859 hours remaining, 235.078125 MB of memory in use. ENERGY: 4176200 3958.0780 20416.0328 14452.1069 240.7624 -203258.6811 2586.5934 0.0000 0.0000 51918.9412 -109686.1663 298.3789 -161605.1075 -109322.2866 298.3127 54.9754 85.3584 762018.1792 -21.8908 -21.7988 LDB: ============= START OF LOAD BALANCING ============== 13215.2 LDB: ============== END OF LOAD BALANCING =============== 13215.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13215.2 LDB: ============= START OF LOAD BALANCING ============== 13215.5 LDB: Largest compute 7067 load 0.033610 is 17.2% of average load 0.195607 LDB: Average compute 0.004388 is 2.2% of average load 0.195607 LDB: TIME 13215.5 LOAD: AVG 0.195607 MAX 0.213181 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.445 MB LDB: TIME 13215.5 LOAD: AVG 0.195607 MAX 0.213181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: TIME 13215.5 LOAD: AVG 0.195607 MAX 0.213181 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.516 MB LDB: ============== END OF LOAD BALANCING =============== 13215.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13215.5 PRESSURE: 4176400 86.6499 265.59 108.608 265.589 53.3689 -10.6184 108.609 -10.6185 53.4129 GPRESSURE: 4176400 221.178 115.421 34.0301 153.404 -32.8282 -25.9078 191.436 99.2512 110.025 PRESSAVG: 4176400 -25.5075 62.3141 37.3157 62.3141 26.9651 20.0583 37.3158 20.0583 30.2265 GPRESSAVG: 4176400 -25.3782 61.3492 37.2117 61.4761 27.553 19.7345 37.7756 19.3026 29.5469 TIMING: 4176400 CPU: 13203.3, 0.00321612/step Wall: 13203.3, 0.00321612/step, 0.735776 hours remaining, 235.050781 MB of memory in use. ENERGY: 4176400 3938.5403 20459.2331 14377.0697 242.9580 -203372.4988 2650.6569 0.0000 0.0000 51870.1126 -109833.9284 298.0982 -161704.0409 -109473.7311 298.5000 64.4772 99.4583 761513.5444 10.5614 10.5739 PRESSURE: 4176600 -125.842 -48.7475 -2.95984 -48.7463 151.531 150.168 -2.9595 150.167 -397.989 GPRESSURE: 4176600 11.0852 9.64481 99.8881 -18.9869 101.9 86.9573 -96.353 148.094 -405.013 PRESSAVG: 4176600 -23.2876 49.5399 26.2099 49.5398 13.6957 -35.6767 26.2098 -35.6766 -21.6126 GPRESSAVG: 4176600 -23.4633 50.4832 27.92 51.1527 13.0834 -36.5662 22.0072 -33.8747 -20.4766 TIMING: 4176600 CPU: 13203.9, 0.00316622/step Wall: 13203.9, 0.00316622/step, 0.724185 hours remaining, 235.292969 MB of memory in use. ENERGY: 4176600 3987.6239 20682.3149 14533.6901 255.0035 -203616.2214 2529.7878 0.0000 0.0000 52069.2145 -109558.5867 299.2425 -161627.8013 -109200.7261 298.6069 -124.1003 -97.3425 761268.2665 -10.4015 -10.2855 PRESSURE: 4176800 -233.293 52.8008 105.198 52.8008 -39.3998 227.175 105.199 227.174 -179.149 GPRESSURE: 4176800 -206.276 -19.3534 94.5061 18.92 -22.8471 142.495 49.6339 91.1776 -139.769 PRESSAVG: 4176800 -40.8229 -81.172 33.0685 -81.172 24.5527 0.857847 33.0685 0.857865 -21.9366 GPRESSAVG: 4176800 -42.0781 -80.8313 32.7568 -82.2839 26.0866 0.902748 34.0594 0.555728 -22.4938 TIMING: 4176800 CPU: 13204.5, 0.00314519/step Wall: 13204.5, 0.00314519/step, 0.7192 hours remaining, 235.597656 MB of memory in use. ENERGY: 4176800 4082.3074 20443.0637 14615.8178 232.8388 -203754.7467 2616.4294 0.0000 0.0000 52098.9056 -109665.3841 299.4131 -161764.2897 -109307.1829 299.1042 -150.6139 -122.9640 759973.6603 -12.7356 -12.8284 PRESSURE: 4177000 -131.862 -100.884 163.944 -100.884 -150.023 -338.158 163.945 -338.157 -321.56 GPRESSURE: 4177000 -104.933 -99.7968 106.124 -131.998 -188.241 -257.218 -8.98448 -338.027 -217.882 PRESSAVG: 4177000 24.2458 -35.0562 -2.29981 -35.0562 1.70239 -70.8221 -2.2998 -70.8221 -15.2775 GPRESSAVG: 4177000 25.4448 -35.9071 -2.60394 -32.716 -0.0509222 -71.5095 -0.237295 -72.484 -14.7352 TIMING: 4177000 CPU: 13205.2, 0.00316015/step Wall: 13205.2, 0.00316015/step, 0.722445 hours remaining, 235.800781 MB of memory in use. ENERGY: 4177000 4003.4478 20484.3277 14584.0729 239.2226 -203271.1930 2328.7693 0.0000 0.0000 51936.6567 -109694.6959 298.4807 -161631.3526 -109337.1444 298.9568 -201.1482 -170.3518 759802.0646 3.5569 3.5529 PRESSURE: 4177200 182.031 -94.2498 84.4275 -94.2498 -335.648 62.2814 84.4272 62.2819 87.9994 GPRESSURE: 4177200 160.473 -42.1173 106.228 -82.0112 -229.919 -7.25693 -13.175 28.639 110.926 PRESSAVG: 4177200 -17.8325 -1.7304 -95.2522 -1.73039 5.37126 35.3316 -95.2521 35.3315 -1.38356 GPRESSAVG: 4177200 -18.6232 -2.47826 -94.7653 -2.56763 6.89597 36.1273 -98.4679 36.339 -1.72141 TIMING: 4177200 CPU: 13205.8, 0.00315341/step Wall: 13205.8, 0.00315341/step, 0.720729 hours remaining, 235.800781 MB of memory in use. ENERGY: 4177200 3967.5716 20353.4618 14452.7005 235.4899 -203168.9850 2546.6515 0.0000 0.0000 52097.9168 -109515.1929 299.4074 -161613.1097 -109144.6041 298.8087 -21.8726 13.8268 761493.1234 -4.6149 -4.4829 PRESSURE: 4177400 -193.667 -79.6325 -280.251 -79.6315 254.487 -116.67 -280.251 -116.67 -362.125 GPRESSURE: 4177400 -176.044 -64.5638 -113.679 -132.173 234.796 -119.278 -278.664 -47.8462 -284.687 PRESSAVG: 4177400 -14.702 29.3195 -35.7622 29.3195 5.453 -7.9038 -35.7622 -7.90376 -19.2495 GPRESSAVG: 4177400 -14.9747 30.4396 -37.7331 28.1461 5.23451 -9.48935 -33.074 -8.63543 -19.1855 TIMING: 4177400 CPU: 13206.4, 0.00315475/step Wall: 13206.4, 0.00315475/step, 0.720861 hours remaining, 235.800781 MB of memory in use. ENERGY: 4177400 4040.6862 20519.3020 14540.7607 249.7253 -203342.6124 2444.6348 0.0000 0.0000 51810.1389 -109737.3645 297.7536 -161547.5034 -109382.2838 298.6937 -100.4348 -75.3118 759091.5637 -9.4995 -9.6419 PRESSURE: 4177600 12.8067 20.219 109.597 20.2192 -220.892 -199.271 109.597 -199.273 -221.57 GPRESSURE: 4177600 65.3071 137.896 56.5373 45.8532 -162.393 -266.821 34.8994 -49.9229 -245.909 PRESSAVG: 4177600 22.8958 -20.2119 5.91696 -20.2119 -9.94762 33.5863 5.91703 33.5863 2.88829 GPRESSAVG: 4177600 24.7753 -18.8237 7.46689 -20.3637 -11.473 33.929 4.66449 33.8501 2.49626 TIMING: 4177600 CPU: 13207.1, 0.00314336/step Wall: 13207.1, 0.00314336/step, 0.718082 hours remaining, 235.800781 MB of memory in use. ENERGY: 4177600 3942.2702 20573.0446 14488.8730 253.3965 -203424.3739 2472.7377 0.0000 0.0000 52077.5632 -109616.4888 299.2905 -161694.0519 -109253.6653 298.5585 -143.2185 -114.3318 758694.9290 5.2788 5.2662 PRESSURE: 4177800 -136.852 217.576 -51.61 217.577 -296.214 14.656 -51.6098 14.6551 226.367 GPRESSURE: 4177800 -77.0526 334.242 -130.777 101.719 -330.11 1.23395 85.8631 -51.9333 291.871 PRESSAVG: 4177800 -33.5131 -36.7395 -26.5949 -36.7395 -15.9208 6.90992 -26.5949 6.90993 -6.67003 GPRESSAVG: 4177800 -34.3322 -38.8914 -27.8037 -37.2972 -14.4823 7.25722 -25.3152 7.28741 -6.92808 TIMING: 4177800 CPU: 13207.7, 0.0031479/step Wall: 13207.7, 0.00314791/step, 0.718947 hours remaining, 235.800781 MB of memory in use. ENERGY: 4177800 3944.7442 20514.8946 14511.5399 232.9995 -203114.4711 2286.4318 0.0000 0.0000 51833.7412 -109790.1199 297.8892 -161623.8611 -109424.1063 298.5054 -68.8997 -38.4307 761400.6083 -18.7013 -18.5809 PRESSURE: 4178000 -6.74765 209.168 97.6957 209.169 175.398 -159.185 97.6949 -159.185 83.5672 GPRESSURE: 4178000 6.88099 104.17 82.1591 210.288 213.899 -139.53 37.3698 -20.1203 117.364 PRESSAVG: 4178000 24.8576 -7.34897 -61.5014 -7.34894 -15.1539 -0.709084 -61.5014 -0.709094 3.17573 GPRESSAVG: 4178000 24.8547 -6.34383 -60.7134 -5.72305 -16.046 0.591165 -63.4385 -1.05827 3.99663 TIMING: 4178000 CPU: 13208.3, 0.00316085/step Wall: 13208.3, 0.00316085/step, 0.721727 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: 4178000 3979.6435 20516.6504 14470.4385 238.0100 -203611.5236 2663.1988 0.0000 0.0000 52173.4476 -109570.1348 299.8415 -161743.5824 -109209.1507 298.8466 84.0724 112.7148 758511.1057 4.2931 4.2684 PRESSURE: 4178200 163.584 -77.1114 -59.1747 -77.1122 -63.1746 4.50908 -59.1744 4.50876 -163.622 GPRESSURE: 4178200 247.973 38.4032 -177.591 27.2728 -7.12147 -34.8304 -110.792 62.0073 -199.938 PRESSAVG: 4178200 19.2687 58.9606 -10.1499 58.9606 -31.8403 -33.8316 -10.1499 -33.8315 23.3515 GPRESSAVG: 4178200 18.5561 60.3227 -11.6275 57.3487 -30.9914 -35.7524 -9.58362 -31.511 22.7718 TIMING: 4178200 CPU: 13209, 0.00316365/step Wall: 13209, 0.00316365/step, 0.722191 hours remaining, 235.800781 MB of memory in use. ENERGY: 4178200 4022.5190 20362.9834 14590.2914 262.7540 -203885.5828 2727.1445 0.0000 0.0000 52074.5469 -109845.3436 299.2731 -161919.8905 -109482.9472 298.7555 -21.0709 13.6376 759078.4649 3.5933 3.4455 PRESSURE: 4178400 -46.69 18.3601 6.26416 18.359 67.5408 158.712 6.2639 158.712 -94.7564 GPRESSURE: 4178400 34.5238 -7.82017 37.945 38.8297 39.5786 167.808 8.10082 140.64 -51.8076 PRESSAVG: 4178400 1.84166 41.3811 -38.4931 41.3811 -36.2132 -6.83121 -38.4931 -6.83112 4.97412 GPRESSAVG: 4178400 1.50148 39.4361 -38.1127 44.1423 -36.532 -5.33409 -36.4811 -9.40741 5.44899 TIMING: 4178400 CPU: 13209.6, 0.00315233/step Wall: 13209.6, 0.00315233/step, 0.719432 hours remaining, 235.800781 MB of memory in use. ENERGY: 4178400 3968.2018 20471.4567 14542.5119 250.8575 -203048.9957 2312.8416 0.0000 0.0000 51752.6441 -109750.4821 297.4232 -161503.1262 -109391.6102 298.6173 -24.6352 7.4316 759641.8267 -9.7992 -9.8605 PRESSURE: 4178600 280.062 -237.435 -172.093 -237.436 -15.12 -4.23857 -172.092 -4.23819 203.406 GPRESSURE: 4178600 301.693 -100.391 -220.048 -313.064 -28.2952 -56.5153 -61.189 23.6463 269.275 PRESSAVG: 4178600 -29.0957 -16.2804 30.3943 -16.2805 -23.04 -18.8219 30.3943 -18.8219 -16.5233 GPRESSAVG: 4178600 -28.5212 -17.1985 31.4348 -18.4181 -22.7484 -19.4015 30.5829 -18.6082 -17.0948 TIMING: 4178600 CPU: 13210.2, 0.00314803/step Wall: 13210.2, 0.00314803/step, 0.718276 hours remaining, 235.800781 MB of memory in use. ENERGY: 4178600 4022.8258 20514.8367 14403.5049 279.7833 -203078.9933 2390.1722 0.0000 0.0000 51990.9573 -109476.9131 298.7927 -161467.8704 -109113.1279 298.7673 156.1162 180.8908 760103.3064 -22.8863 -22.7881 PRESSURE: 4178800 -92.4376 -157.059 53.9277 -157.06 -65.9174 -108.703 53.927 -108.702 148.544 GPRESSURE: 4178800 -64.0554 -308.226 128.028 -51.739 -6.99928 -127.257 51.9701 -13.5504 139.748 PRESSAVG: 4178800 7.67597 -45.2037 -7.13505 -45.2037 15.2218 -50.3115 -7.13507 -50.3114 -2.55362 GPRESSAVG: 4178800 8.26815 -43.3988 -8.05515 -45.4351 14.5569 -51.7737 -9.7184 -49.821 -2.37595 TIMING: 4178800 CPU: 13210.8, 0.00315666/step Wall: 13210.8, 0.00315666/step, 0.72007 hours remaining, 235.800781 MB of memory in use. ENERGY: 4178800 3955.2799 20507.1162 14478.9137 263.6418 -203161.9347 2527.6409 0.0000 0.0000 52097.1730 -109332.1693 299.4032 -161429.3423 -108972.3037 300.0318 -3.2702 22.8978 760887.7605 6.7814 6.8164 PRESSURE: 4179000 -9.96341 21.3912 -97.0294 21.3914 -124.854 -108.729 -97.0297 -108.73 190.316 GPRESSURE: 4179000 31.275 -10.6037 -152.085 28.1314 -76.7089 -192.053 17.1035 -115.735 182.962 PRESSAVG: 4179000 0.550295 -9.15859 43.2338 -9.15859 3.0661 -36.8101 43.2339 -36.8101 15.1184 GPRESSAVG: 4179000 -0.00870361 -9.9715 45.5259 -7.49982 2.55647 -36.831 43.0497 -36.7612 16.2859 TIMING: 4179000 CPU: 13211.5, 0.00313605/step Wall: 13211.5, 0.00313605/step, 0.715193 hours remaining, 235.800781 MB of memory in use. ENERGY: 4179000 4007.6732 20509.2548 14470.8274 259.8668 -203261.4341 2552.2741 0.0000 0.0000 52143.5578 -109317.9799 299.6697 -161461.5377 -108946.2343 300.1129 18.4997 45.8428 761006.5638 6.2449 6.2779 PRESSURE: 4179200 -10.0651 -34.2873 -211.143 -34.2868 54.5037 -221.264 -211.143 -221.264 79.5635 GPRESSURE: 4179200 33.5323 22.9882 -192.389 -3.11072 54.3346 -230.015 -160.889 -206.913 118.838 PRESSAVG: 4179200 -42.4812 -6.44527 23.3668 -6.44526 14.5866 -33.0747 23.3668 -33.0747 1.7438 GPRESSAVG: 4179200 -42.416 -8.72812 22.028 -6.32123 15.3759 -31.4851 26.6607 -34.4271 1.23868 TIMING: 4179200 CPU: 13212.1, 0.00314535/step Wall: 13212.1, 0.00314535/step, 0.717139 hours remaining, 235.800781 MB of memory in use. ENERGY: 4179200 3971.9148 20480.7015 14481.9929 255.6343 -203164.6713 2202.9096 0.0000 0.0000 52386.9448 -109384.5734 301.0685 -161771.5183 -109036.9723 299.9620 41.3341 68.9017 760716.0782 -8.7169 -8.6005 PRESSURE: 4179400 -362.996 12.9976 -105.162 12.9969 -161.895 -195.359 -105.162 -195.359 -157.249 GPRESSURE: 4179400 -389.306 22.7494 -107.554 1.76281 -61.0484 -124.401 10.8416 -24.1215 -147.063 PRESSAVG: 4179400 6.61262 -65.8121 -61.2987 -65.8121 -17.1237 -21.8878 -61.2987 -21.8878 -1.68924 GPRESSAVG: 4179400 6.80541 -62.5552 -61.6376 -66.1874 -15.8229 -23.2779 -62.6786 -18.5741 -3.09847 TIMING: 4179400 CPU: 13212.7, 0.00315625/step Wall: 13212.7, 0.00315625/step, 0.71945 hours remaining, 235.800781 MB of memory in use. ENERGY: 4179400 4003.5266 20327.4549 14528.3987 242.6919 -203560.9472 2631.0519 0.0000 0.0000 52316.9503 -109510.8728 300.6662 -161827.8231 -109139.9850 299.8331 -227.3799 -199.1391 762207.9852 -4.0668 -4.0386 PRESSURE: 4179600 -172.907 -94.8894 114.286 -94.8892 238.973 109.52 114.286 109.52 -125.946 GPRESSURE: 4179600 -169.952 -185.866 74.9114 -207.039 248.7 164.175 57.1326 55.5036 -57.2903 PRESSAVG: 4179600 -1.48669 -11.1838 -24.7194 -11.1839 -22.106 -15.2107 -24.7193 -15.2107 14.1246 GPRESSAVG: 4179600 -1.09287 -12.0199 -24.3114 -10.4062 -21.9889 -15.048 -26.3814 -14.3239 14.0222 TIMING: 4179600 CPU: 13213.4, 0.0031464/step Wall: 13213.4, 0.0031464/step, 0.71703 hours remaining, 235.800781 MB of memory in use. ENERGY: 4179600 3951.9772 20295.1430 14524.3185 248.2059 -203546.5688 2642.1194 0.0000 0.0000 52177.4228 -109707.3821 299.8644 -161884.8049 -109335.2290 299.5561 -19.9598 7.1527 760075.6350 -3.1561 -3.0198 PRESSURE: 4179800 -394.225 -105.834 -17.1973 -105.835 125.379 -336.055 -17.1983 -336.055 -61.7399 GPRESSURE: 4179800 -307.226 -60.4917 40.0522 -51.6993 118.106 -352.73 -89.7966 -214.829 -56.3136 PRESSAVG: 4179800 4.49529 -36.0621 -43.3739 -36.0621 7.82662 0.578667 -43.3739 0.578692 11.7917 GPRESSAVG: 4179800 3.57682 -36.1758 -43.8241 -35.8087 7.70578 2.84913 -42.5769 -2.04332 12.6508 TIMING: 4179800 CPU: 13214, 0.00314572/step Wall: 13214, 0.00314572/step, 0.7167 hours remaining, 235.800781 MB of memory in use. ENERGY: 4179800 4057.1303 20593.3135 14497.6279 238.9999 -203458.7279 2413.2111 0.0000 0.0000 52107.8153 -109550.6299 299.4643 -161658.4452 -109202.4696 299.6831 -110.1951 -81.8111 758469.6311 8.0379 7.9778 PRESSURE: 4180000 -47.2135 -57.1482 212.618 -57.1478 165.216 311.429 212.618 311.429 -663.712 GPRESSURE: 4180000 -70.4115 -109.394 184.98 -30.9007 173.83 325.378 214.902 242.711 -569.336 PRESSAVG: 4180000 66.3395 11.8287 -48.073 11.8286 -41.3471 39.7781 -48.073 39.7781 22.3727 GPRESSAVG: 4180000 65.9341 11.8442 -47.3815 10.3089 -41.4123 38.3523 -48.623 40.2085 22.5813 TIMING: 4180000 CPU: 13214.6, 0.00316269/step Wall: 13214.6, 0.00316269/step, 0.72039 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: 4180000 4014.7586 20597.0323 14417.6349 232.5954 -203263.3650 2199.4962 0.0000 0.0000 52090.7069 -109711.1408 299.3660 -161801.8477 -109340.8250 299.3133 -181.9031 -155.3059 760835.4598 15.7883 15.7010 PRESSURE: 4180200 -157.483 -99.0318 -171.435 -99.0318 -52.6572 81.8287 -171.435 81.8287 -131.657 GPRESSURE: 4180200 -132.134 -191.425 -155.344 -6.23145 -10.8645 235.922 -52.2091 11.3853 -97.8755 PRESSAVG: 4180200 -6.91212 -39.1491 -3.83272 -39.1491 27.408 49.0678 -3.83272 49.0678 4.96739 GPRESSAVG: 4180200 -6.64609 -39.8416 -4.12209 -38.2049 26.4045 48.815 -2.0463 49.5437 5.66927 TIMING: 4180200 CPU: 13215.3, 0.00315173/step Wall: 13215.3, 0.00315173/step, 0.717718 hours remaining, 235.800781 MB of memory in use. ENERGY: 4180200 4030.7574 20541.3330 14451.9526 248.3132 -203335.7575 2225.0495 0.0000 0.0000 52123.2599 -109715.0920 299.5531 -161838.3519 -109350.9438 298.6268 -113.9326 -80.2912 758248.3430 8.4878 8.4759 LDB: ============= START OF LOAD BALANCING ============== 13227.8 LDB: ============== END OF LOAD BALANCING =============== 13227.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13227.8 LDB: ============= START OF LOAD BALANCING ============== 13228.1 LDB: Largest compute 7058 load 0.032940 is 16.8% of average load 0.195621 LDB: Average compute 0.004381 is 2.2% of average load 0.195621 LDB: TIME 13228.1 LOAD: AVG 0.195621 MAX 0.215194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.547 MB LDB: TIME 13228.1 LOAD: AVG 0.195621 MAX 0.215194 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.547 MB LDB: TIME 13228.1 LOAD: AVG 0.195621 MAX 0.215194 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.547 MB LDB: ============== END OF LOAD BALANCING =============== 13228.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13228.1 PRESSURE: 4180400 113.625 -36.3982 -35.5173 -36.3986 20.411 82.4262 -35.5182 82.4249 -30.6097 GPRESSURE: 4180400 167.936 52.5898 -4.4584 -56.7386 51.1537 61.5995 -136.702 -5.90852 -20.0854 PRESSAVG: 4180400 -19.8708 -24.4437 -12.1926 -24.4437 13.1158 20.9053 -12.1926 20.9054 -21.6586 GPRESSAVG: 4180400 -19.726 -22.3754 -11.9726 -25.9578 14.2502 22.6223 -15.3191 22.0058 -22.3331 TIMING: 4180400 CPU: 13215.9, 0.0032358/step Wall: 13215.9, 0.0032358/step, 0.736684 hours remaining, 236.183594 MB of memory in use. ENERGY: 4180400 3933.9644 20497.9771 14577.4774 265.5126 -203251.8912 2239.7702 0.0000 0.0000 51971.6287 -109765.5608 298.6817 -161737.1895 -109403.8996 298.7474 34.4756 66.3347 757936.1619 -9.4712 -9.2696 PRESSURE: 4180600 31.6047 55.6008 278.639 55.5998 -108.763 -13.2155 278.639 -13.2163 198.013 GPRESSURE: 4180600 26.3762 -15.8487 209.277 26.2101 -4.20218 -109.966 260.526 -7.38863 205.343 PRESSAVG: 4180600 -14.0342 -23.5037 5.39407 -23.5038 57.2655 -12.9035 5.394 -12.9036 1.9363 GPRESSAVG: 4180600 -14.1662 -25.0699 4.14477 -23.4728 57.3951 -14.4558 8.57589 -12.1107 1.93997 TIMING: 4180600 CPU: 13216.5, 0.00316828/step Wall: 13216.5, 0.00316828/step, 0.721136 hours remaining, 236.253906 MB of memory in use. ENERGY: 4180600 3989.0603 20554.5383 14526.7104 271.0269 -203610.8940 2389.4723 0.0000 0.0000 52332.3303 -109547.7556 300.7546 -161880.0859 -109189.1893 299.4412 40.2850 75.8391 759761.2135 15.0559 15.0563 PRESSURE: 4180800 -8.43967 -105.157 -188.531 -105.156 -37.6175 -53.0146 -188.531 -53.016 -317.56 GPRESSURE: 4180800 179.936 -95.0589 -280.674 -174.946 -112.385 -109.275 -199.655 -139.943 -340.655 PRESSAVG: 4180800 -34.9556 -39.5561 42.5469 -39.5561 7.20355 14.6444 42.5469 14.6445 11.9206 GPRESSAVG: 4180800 -35.2906 -40.8585 42.7944 -40.6214 7.46284 15.403 41.8904 12.4787 11.8787 TIMING: 4180800 CPU: 13217.2, 0.00314719/step Wall: 13217.2, 0.00314719/step, 0.716162 hours remaining, 236.253906 MB of memory in use. ENERGY: 4180800 3979.1369 20443.7119 14464.6907 268.2335 -203450.7206 2408.7855 0.0000 0.0000 52301.3924 -109584.7697 300.5768 -161886.1622 -109215.8361 299.7505 -121.2056 -91.0348 758688.2289 -5.2772 -5.3163 PRESSURE: 4181000 -165.343 -200.224 179.19 -200.224 228.55 18.3409 179.189 18.3405 -131.044 GPRESSURE: 4181000 -122.453 -170.5 188.362 -166.732 192.294 116.094 134.172 60.9077 -54.7039 PRESSAVG: 4181000 13.1441 -61.0801 24.515 -61.0802 13.6562 -7.90571 24.515 -7.90572 -19.0413 GPRESSAVG: 4181000 13.8621 -60.2585 24.9414 -59.6936 11.9201 -7.304 23.7483 -7.39213 -18.1003 TIMING: 4181000 CPU: 13217.8, 0.00314779/step Wall: 13217.8, 0.00314779/step, 0.716121 hours remaining, 236.253906 MB of memory in use. ENERGY: 4181000 4002.5686 20636.4142 14474.2640 251.2868 -203497.4121 2684.4715 0.0000 0.0000 51767.2616 -109681.1456 297.5072 -161448.4072 -109324.0625 298.9921 -22.6123 5.0458 759734.4316 2.5864 2.5606 PRESSURE: 4181200 230.668 71.6728 38.6544 71.6738 146.081 -201.164 38.6537 -201.164 44.851 GPRESSURE: 4181200 296.598 71.9322 -6.83242 87.0597 211.156 -121.107 4.10995 -28.9835 13.3832 PRESSAVG: 4181200 11.1903 -39.7411 48.6067 -39.7411 11.5228 -27.3558 48.6067 -27.3558 -6.06651 GPRESSAVG: 4181200 11.1135 -39.9655 48.0719 -39.917 12.0329 -27.6081 49.2271 -27.8813 -6.22978 TIMING: 4181200 CPU: 13218.4, 0.00317203/step Wall: 13218.4, 0.00317203/step, 0.721461 hours remaining, 236.253906 MB of memory in use. ENERGY: 4181200 3950.5275 20545.4046 14469.1018 244.7578 -203496.6158 2764.8208 0.0000 0.0000 51896.1049 -109625.8985 298.2476 -161522.0034 -109277.7635 298.8154 140.5334 173.7124 759178.3485 5.5489 5.6388 PRESSURE: 4181400 114.495 29.4806 -72.1334 29.4804 251.361 85.9712 -72.1329 85.9719 415.443 GPRESSURE: 4181400 174.367 -89.781 -15.941 -59.9905 168.156 41.6026 31.5812 88.7993 500.83 PRESSAVG: 4181400 -6.20331 9.64789 28.9791 9.64783 13.2019 -44.8002 28.9791 -44.8002 0.13818 GPRESSAVG: 4181400 -6.16501 9.25328 29.0829 10.5108 12.3809 -46.2733 29.7164 -42.9922 0.66879 TIMING: 4181400 CPU: 13219.1, 0.00316468/step Wall: 13219.1, 0.00316468/step, 0.719614 hours remaining, 236.253906 MB of memory in use. ENERGY: 4181400 3935.7877 20654.5875 14544.7592 249.9471 -203483.0776 2729.2734 0.0000 0.0000 51937.4581 -109431.2645 298.4853 -161368.7226 -109081.2674 299.4205 260.4332 281.1177 760313.3602 2.3789 2.2949 PRESSURE: 4181600 -188.795 -12.8861 -225.945 -12.8856 107.348 107.493 -225.945 107.492 80.6553 GPRESSURE: 4181600 -77.8871 -70.0976 -235.376 -48.4243 92.0518 25.0915 -255.902 68.7842 84.9036 PRESSAVG: 4181600 -4.71297 1.00257 -30.3868 1.00251 49.7803 -2.5549 -30.3868 -2.55486 -2.58575 GPRESSAVG: 4181600 -3.97383 -0.437184 -29.725 1.69357 49.6648 -1.85518 -30.7166 -4.57043 -2.73074 TIMING: 4181600 CPU: 13219.7, 0.00315912/step Wall: 13219.7, 0.00315912/step, 0.718172 hours remaining, 236.253906 MB of memory in use. ENERGY: 4181600 3969.7174 20578.5953 14567.3508 262.5193 -203567.9497 2402.6054 0.0000 0.0000 52303.5007 -109483.6609 300.5889 -161787.1615 -109113.3322 299.7730 -0.2640 33.0228 759346.6068 14.1605 14.3201 PRESSURE: 4181800 -56.1533 -134.846 1.8973 -134.845 -278.342 25.5344 1.89763 25.5342 32.341 GPRESSURE: 4181800 10.294 -35.1756 30.7016 -176.018 -234.561 68.4218 14.5626 89.8754 17.7786 PRESSAVG: 4181800 -63.4485 -72.9985 28.5393 -72.9985 26.7611 36.6307 28.5393 36.6308 -8.64703 GPRESSAVG: 4181800 -63.5752 -69.8374 27.448 -74.3265 26.6825 36.9126 29.1491 37.5398 -8.64522 TIMING: 4181800 CPU: 13220.3, 0.00317133/step Wall: 13220.3, 0.00317133/step, 0.720773 hours remaining, 236.253906 MB of memory in use. ENERGY: 4181800 4024.3830 20466.6971 14420.4580 245.6018 -203596.2760 2537.8632 0.0000 0.0000 52248.6745 -109652.5985 300.2739 -161901.2730 -109274.9308 299.0614 -100.7181 -68.8294 760363.4187 -15.1115 -15.1793 PRESSURE: 4182000 -459.129 -179.474 -62.0153 -179.474 -365.013 -127.424 -62.0148 -127.423 92.1345 GPRESSURE: 4182000 -388.423 -139.95 -42.4713 -148.468 -332.191 -36.4378 -91.9798 -174.615 70.7907 PRESSAVG: 4182000 -39.0209 -52.8041 15.5742 -52.804 4.75609 -41.311 15.5742 -41.311 -10.7041 GPRESSAVG: 4182000 -39.217 -53.3511 16.1783 -51.0457 4.50975 -42.1354 14.4515 -40.4867 -10.3415 TIMING: 4182000 CPU: 13221, 0.00315735/step Wall: 13221, 0.00315735/step, 0.71742 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: 4182000 4037.1679 20402.6730 14440.8803 253.1834 -202804.5989 2103.2575 0.0000 0.0000 52067.0605 -109500.3763 299.2301 -161567.4369 -109130.8255 299.3805 -244.0024 -216.6077 763588.9888 -14.9896 -15.0163 PRESSURE: 4182200 -89.7799 -21.603 -11.3711 -21.6023 -577.136 52.535 -11.3712 52.5357 -57.6238 GPRESSURE: 4182200 -116.653 -62.1987 -19.2531 37.132 -480.18 14.0614 100.065 94.1366 -32.6365 PRESSAVG: 4182200 38.0219 -25.9248 -17.1858 -25.9248 -9.22065 -41.2981 -17.1859 -41.2981 7.01664 GPRESSAVG: 4182200 38.2448 -28.0771 -17.2745 -28.0596 -9.68507 -41.1107 -16.1989 -40.631 7.33447 TIMING: 4182200 CPU: 13221.6, 0.00316299/step Wall: 13221.6, 0.00316299/step, 0.718526 hours remaining, 236.253906 MB of memory in use. ENERGY: 4182200 3995.3496 20459.6692 14432.4998 241.5496 -203092.1114 2321.5757 0.0000 0.0000 52059.2073 -109582.2601 299.1850 -161641.4674 -109219.1441 299.3058 -241.5132 -209.8232 761413.7076 11.9393 11.9647 PRESSURE: 4182400 -132.923 -97.5635 94.7209 -97.5631 -241.376 111.367 94.7205 111.367 -247.07 GPRESSURE: 4182400 -76.4476 36.8455 16.7431 -95.0249 -225.138 123.556 -67.9422 154.178 -216.704 PRESSAVG: 4182400 45.7757 -33.6257 -53.371 -33.6257 -52.2527 16.6346 -53.371 16.6347 -11.2433 GPRESSAVG: 4182400 45.3447 -31.7309 -53.372 -33.4333 -51.7589 18.1575 -54.5108 17.4729 -11.2271 TIMING: 4182400 CPU: 13222.2, 0.00315962/step Wall: 13222.2, 0.00315962/step, 0.717585 hours remaining, 236.253906 MB of memory in use. ENERGY: 4182400 4009.8003 20586.1525 14509.1345 237.0404 -203596.6301 2508.8222 0.0000 0.0000 52090.6971 -109654.9832 299.3660 -161745.6802 -109299.2012 299.0288 -207.1229 -172.7631 762552.3555 -5.9068 -5.8805 PRESSURE: 4182600 113.254 29.8989 -27.1411 29.8988 88.0844 -18.8539 -27.1412 -18.8543 47.4489 GPRESSURE: 4182600 26.8439 13.5093 -36.0466 43.4047 229.08 -26.5374 103.587 56.299 74.2909 PRESSAVG: 4182600 -31.6475 -20.1875 45.1687 -20.1876 30.2043 15.0896 45.1686 15.0896 15.2263 GPRESSAVG: 4182600 -32.1067 -21.9092 45.7349 -18.568 31.235 13.9992 46.97 13.5392 14.5084 TIMING: 4182600 CPU: 13222.9, 0.00316273/step Wall: 13222.9, 0.00316273/step, 0.718116 hours remaining, 236.253906 MB of memory in use. ENERGY: 4182600 3978.5323 20675.1441 14488.9854 263.5735 -203882.7881 2790.8896 0.0000 0.0000 52116.0399 -109569.6233 299.5116 -161685.6632 -109210.3796 299.3192 82.9290 110.0716 761274.4664 4.5944 4.5456 PRESSURE: 4182800 19.8431 -59.5138 237.927 -59.5141 -304.476 -112.393 237.927 -112.393 253.48 GPRESSURE: 4182800 70.8322 -143.651 280.173 -128.677 -282.881 -114.446 210.249 32.1436 261.388 PRESSAVG: 4182800 -21.286 -38.1401 -36.4225 -38.1401 27.1008 -8.99382 -36.4225 -8.99377 -10.3548 GPRESSAVG: 4182800 -21.4342 -34.5367 -34.7232 -41.7448 27.076 -8.09056 -39.4841 -7.95147 -9.87483 TIMING: 4182800 CPU: 13223.5, 0.00316053/step Wall: 13223.5, 0.00316053/step, 0.717439 hours remaining, 236.253906 MB of memory in use. ENERGY: 4182800 3900.2482 20541.4643 14445.4036 241.8254 -203149.4490 2463.7110 0.0000 0.0000 52125.4642 -109431.3322 299.5658 -161556.7965 -109071.3568 299.6443 -10.3843 16.4464 762105.7425 -1.5133 -1.4110 PRESSURE: 4183000 32.5723 229.037 184.714 229.037 -97.4574 9.32835 184.714 9.32882 -59.1986 GPRESSURE: 4183000 6.39418 215.498 223.999 229.718 -50.8712 -122.306 106.891 -46.0191 -17.0468 PRESSAVG: 4183000 -45.2831 -42.7718 19.5637 -42.7718 56.2783 5.72479 19.5637 5.72474 -9.77484 GPRESSAVG: 4183000 -45.5217 -45.7494 18.41 -41.3379 57.2197 3.94009 21.9626 5.38881 -10.5352 TIMING: 4183000 CPU: 13224.1, 0.00315995/step Wall: 13224.1, 0.00315995/step, 0.717133 hours remaining, 236.253906 MB of memory in use. ENERGY: 4183000 4021.3105 20473.5500 14424.8766 240.7268 -203432.7854 2803.0073 0.0000 0.0000 52224.6115 -109244.7026 300.1356 -161469.3141 -108888.4731 299.6258 -41.3613 -20.5079 761290.2108 0.4068 0.3876 PRESSURE: 4183200 -358.107 -89.2689 -148.859 -89.2691 183.013 45.4709 -148.859 45.4714 15.6548 GPRESSURE: 4183200 -234.672 -21.4003 -177.283 -113.05 175.714 134.995 -135.94 33.1838 -32.1203 PRESSAVG: 4183200 -18.5194 -26.812 -24.8322 -26.812 -29.8343 -18.7577 -24.8322 -18.7577 7.20647 GPRESSAVG: 4183200 -18.285 -23.6613 -25.9481 -28.8984 -30.9048 -17.8658 -24.3091 -17.5755 7.96195 TIMING: 4183200 CPU: 13224.8, 0.00316247/step Wall: 13224.8, 0.00316247/step, 0.71753 hours remaining, 236.253906 MB of memory in use. ENERGY: 4183200 3896.8648 20471.1145 14549.7968 269.1729 -203113.1480 2321.8664 0.0000 0.0000 52205.0321 -109399.3006 300.0230 -161604.3327 -109048.3822 299.7695 -53.1464 -30.3595 760004.6003 -13.7157 -13.7426 PRESSURE: 4183400 -44.0218 -45.3644 -8.68379 -45.3643 162.115 -93.278 -8.68368 -93.2767 -258.995 GPRESSURE: 4183400 40.8881 -103.586 63.2454 -49.1836 122.721 -69.2077 -36.0681 -156.566 -225.378 PRESSAVG: 4183400 15.5486 -36.4119 35.1831 -36.4119 -7.45354 20.1364 35.1831 20.1364 14.3479 GPRESSAVG: 4183400 15.6686 -37.3233 35.0092 -33.8062 -8.49894 18.9378 35.1138 17.951 14.6554 TIMING: 4183400 CPU: 13225.4, 0.00315679/step Wall: 13225.4, 0.00315679/step, 0.716066 hours remaining, 236.253906 MB of memory in use. ENERGY: 4183400 3913.5344 20496.9283 14381.8238 238.6842 -203756.9739 2804.8379 0.0000 0.0000 52358.8774 -109562.2879 300.9072 -161921.1653 -109198.0497 300.0595 -46.9673 -20.5899 760938.4616 7.4810 7.2750 PRESSURE: 4183600 180.425 -174.583 88.9674 -174.584 -82.2791 98.7637 88.9681 98.7622 493.071 GPRESSURE: 4183600 266.47 -91.1563 116.48 -149.296 -69.8618 118.485 -72.0962 -1.37202 469.77 PRESSAVG: 4183600 18.6947 -47.9832 -36.8177 -47.9832 39.5972 25.6742 -36.8177 25.6741 -3.26717 GPRESSAVG: 4183600 17.6774 -47.7065 -36.1804 -49.3967 40.8164 25.2966 -37.3565 27.9267 -4.32316 TIMING: 4183600 CPU: 13226, 0.00316356/step Wall: 13226, 0.00316356/step, 0.717425 hours remaining, 236.253906 MB of memory in use. ENERGY: 4183600 3998.7099 20460.0360 14489.6424 249.7312 -203523.4848 2735.5961 0.0000 0.0000 52166.0352 -109423.7339 299.7989 -161589.7692 -109053.5411 299.9881 197.0723 222.1261 758910.6839 18.3416 18.0569 PRESSURE: 4183800 88.7244 92.5872 52.9978 92.5865 46.2621 77.6383 52.9962 77.638 42.2546 GPRESSURE: 4183800 158.552 58.8499 60.4934 91.65 100.766 -6.66369 24.4534 183.847 17.5615 PRESSAVG: 4183800 -25.5336 -11.9554 -21.4743 -11.9553 27.9381 46.1621 -21.4743 46.162 22.3667 GPRESSAVG: 4183800 -25.8339 -13.1545 -20.299 -11.6675 28.0905 46.9421 -21.8913 45.5206 22.8828 TIMING: 4183800 CPU: 13226.6, 0.00316711/step Wall: 13226.6, 0.00316711/step, 0.718055 hours remaining, 236.253906 MB of memory in use. ENERGY: 4183800 3984.0086 20621.7092 14419.2160 243.1478 -203364.8985 2580.1353 0.0000 0.0000 52264.2040 -109252.4777 300.3631 -161516.6817 -108882.6397 300.2709 59.0804 92.2930 760067.7069 8.2571 8.3798 PRESSURE: 4184000 -0.269792 -180.458 44.2386 -180.458 -213.587 106.161 44.2389 106.161 59.5443 GPRESSURE: 4184000 27.7141 -140.495 38.4091 -228.758 -81.831 242.309 -69.2638 53.4755 -1.61135 PRESSAVG: 4184000 7.10635 -54.0109 -18.8347 -54.0109 3.37179 31.4221 -18.8347 31.4221 0.155476 GPRESSAVG: 4184000 8.56664 -53.9575 -20.0192 -53.6427 1.2941 31.6488 -19.3001 31.5085 0.349983 TIMING: 4184000 CPU: 13227.3, 0.0031644/step Wall: 13227.3, 0.0031644/step, 0.717264 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: 4184000 3915.8253 20572.5170 14518.2527 246.9529 -203569.6822 2814.7349 0.0000 0.0000 52249.1437 -109252.2556 300.2765 -161501.3993 -108882.8659 299.9941 -51.4374 -18.5761 760626.9048 3.5445 3.4036 PRESSURE: 4184200 19.1493 111.438 -101.326 111.437 -310.753 -104.131 -101.326 -104.132 191.338 GPRESSURE: 4184200 8.77686 141.374 58.02 155.821 -221.597 -198.86 -144.684 -59.7913 221.624 PRESSAVG: 4184200 5.93224 -10.6294 -21.3674 -10.6294 -3.49816 61.2946 -21.3673 61.2946 44.3509 GPRESSAVG: 4184200 5.07944 -9.98624 -21.0702 -8.57014 -2.41732 60.558 -17.8875 61.5244 44.3233 TIMING: 4184200 CPU: 13227.9, 0.00316162/step Wall: 13227.9, 0.00316162/step, 0.716457 hours remaining, 236.253906 MB of memory in use. ENERGY: 4184200 3992.3464 20477.2687 14494.5004 256.3489 -203312.1624 2544.6895 0.0000 0.0000 52227.8241 -109319.1844 300.1540 -161547.0085 -108967.2555 300.2183 -33.4220 2.9345 760421.0032 15.5950 15.6618 LDB: ============= START OF LOAD BALANCING ============== 13240.4 LDB: ============== END OF LOAD BALANCING =============== 13240.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13240.4 LDB: ============= START OF LOAD BALANCING ============== 13240.8 LDB: Largest compute 7067 load 0.033570 is 17.2% of average load 0.195685 LDB: Average compute 0.004381 is 2.2% of average load 0.195685 LDB: TIME 13240.8 LOAD: AVG 0.195685 MAX 0.215514 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13240.8 LOAD: AVG 0.195685 MAX 0.215514 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 13240.8 LOAD: AVG 0.195685 MAX 0.215514 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 13240.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13240.8 PRESSURE: 4184400 -81.7502 -33.7152 213.754 -33.716 200.671 72.0399 213.754 72.0403 211.367 GPRESSURE: 4184400 -76.6094 -58.1616 71.6587 47.519 164.157 32.5339 85.2972 128.956 340.832 PRESSAVG: 4184400 39.6902 13.9082 -46.3992 13.9083 12.9251 -24.5417 -46.3993 -24.5417 -18.8097 GPRESSAVG: 4184400 41.5114 12.8699 -46.4358 12.3649 13.119 -21.7749 -49.4263 -27.0182 -20.741 TIMING: 4184400 CPU: 13228.6, 0.00323178/step Wall: 13228.6, 0.00323178/step, 0.732177 hours remaining, 234.902344 MB of memory in use. ENERGY: 4184400 4019.4676 20479.2018 14448.1456 255.3454 -203404.1907 2839.1713 0.0000 0.0000 52000.7990 -109362.0601 298.8493 -161362.8590 -109012.8066 299.7621 110.0959 142.7932 760714.0859 11.2685 11.2965 PRESSURE: 4184600 -14.059 -127.79 -275.763 -127.791 235.277 -176.585 -275.764 -176.585 -313.435 GPRESSURE: 4184600 84.7523 -46.8256 -211.211 -170.127 210.151 -106.588 -280.388 -162.351 -301.903 PRESSAVG: 4184600 -6.20867 -23.9576 -37.4852 -23.9575 9.23367 -37.0016 -37.4853 -37.0017 -1.33667 GPRESSAVG: 4184600 -7.64155 -24.4086 -36.4159 -24.3428 9.93846 -38.3545 -38.1251 -35.9985 -0.418654 TIMING: 4184600 CPU: 13229.2, 0.00314063/step Wall: 13229.2, 0.00314063/step, 0.711354 hours remaining, 235.140625 MB of memory in use. ENERGY: 4184600 3995.0687 20376.4397 14498.3887 240.0345 -203033.6731 2177.9535 0.0000 0.0000 52188.9606 -109556.8275 299.9307 -161745.7880 -109197.1862 299.6043 -30.7390 -2.3332 760934.0983 0.5628 0.6261 PRESSURE: 4184800 16.6891 -26.1107 -76.8517 -26.11 -48.1947 -125.841 -76.853 -125.842 -488.36 GPRESSURE: 4184800 89.12 -52.4238 -142.28 -25.002 -51.6114 -108.855 3.87629 -73.866 -457.87 PRESSAVG: 4184800 20.7995 -41.8509 8.30192 -41.8509 13.5812 4.79109 8.30191 4.79105 30.5741 GPRESSAVG: 4184800 20.187 -41.7643 5.57451 -43.3207 13.2297 5.55546 9.06927 6.88659 31.6251 TIMING: 4184800 CPU: 13229.8, 0.00317305/step Wall: 13229.8, 0.00317305/step, 0.718519 hours remaining, 235.140625 MB of memory in use. ENERGY: 4184800 4009.6017 20702.2555 14445.0784 235.6261 -203199.7846 2512.1707 0.0000 0.0000 51778.7847 -109516.2675 297.5734 -161295.0522 -109170.6111 299.0858 -173.2884 -140.1203 761386.8462 21.6516 21.6806 PRESSURE: 4185000 -43.7318 -59.0971 -135.239 -59.0973 88.2629 -18.4035 -135.24 -18.4033 -90.573 GPRESSURE: 4185000 -63.3283 -50.3138 -143.667 33.4037 64.0761 28.4109 -174.523 -16.778 26.2195 PRESSAVG: 4185000 -27.9055 -10.1217 18.2086 -10.1216 -5.56958 22.2199 18.2085 22.2199 -6.78672 GPRESSAVG: 4185000 -26.5836 -10.8182 18.2726 -8.36938 -6.45703 22.1518 18.1352 20.3468 -6.20856 TIMING: 4185000 CPU: 13230.5, 0.00315503/step Wall: 13230.5, 0.00315503/step, 0.714263 hours remaining, 235.140625 MB of memory in use. ENERGY: 4185000 4005.0160 20476.0318 14493.1073 238.6865 -203404.6819 2564.4365 0.0000 0.0000 52020.0225 -109607.3812 298.9598 -161627.4037 -109237.4945 298.9529 -15.3473 8.9891 761690.5216 -13.4206 -13.0830 PRESSURE: 4185200 116.71 66.825 189.64 66.8254 -542.095 90.1136 189.641 90.1136 247.603 GPRESSURE: 4185200 114.826 35.2289 220.667 -14.5222 -486.398 124.803 13.5177 158.698 273.975 PRESSAVG: 4185200 25.507 -14.6164 3.39522 -14.6164 40.621 4.78286 3.39523 4.78273 -4.04893 GPRESSAVG: 4185200 25.7535 -13.1709 4.32573 -14.3488 39.9397 5.39487 2.81166 3.78081 -3.80743 TIMING: 4185200 CPU: 13231.1, 0.00315469/step Wall: 13231.1, 0.00315469/step, 0.714011 hours remaining, 235.140625 MB of memory in use. ENERGY: 4185200 3980.8473 20581.8009 14423.9292 235.0756 -203512.9321 2428.9105 0.0000 0.0000 52201.7369 -109660.6316 300.0041 -161862.3685 -109301.9347 299.1972 -59.2609 -32.5323 762284.3033 20.6930 20.6286 PRESSURE: 4185400 -424.222 151.176 43.599 151.175 -92.9242 164.867 43.5989 164.867 99.7227 GPRESSURE: 4185400 -270.188 5.66439 -49.2381 108.692 -97.4778 74.7385 1.32683 78.534 52.3596 PRESSAVG: 4185400 26.1878 46.2768 -41.0819 46.2769 7.36755 -0.531332 -41.0819 -0.531319 12.7858 GPRESSAVG: 4185400 26.2088 46.3874 -42.6778 45.1408 7.94208 -1.19498 -39.5843 0.696372 12.7867 TIMING: 4185400 CPU: 13231.7, 0.00316347/step Wall: 13231.7, 0.00316347/step, 0.715824 hours remaining, 235.140625 MB of memory in use. ENERGY: 4185400 4027.7413 20578.1607 14524.4402 240.9877 -203447.1788 2464.5356 0.0000 0.0000 51947.1661 -109664.1470 298.5411 -161611.3132 -109297.5435 299.0127 -139.1412 -105.1021 762840.5951 15.4471 15.6459 PRESSURE: 4185600 -230.073 -69.0747 32.5887 -69.0753 -122.775 -147.78 32.5875 -147.78 -110.17 GPRESSURE: 4185600 -99.1452 -93.3175 102.966 23.9813 -166.612 -94.2903 -40.6568 -36.6979 -108.5 PRESSAVG: 4185600 -24.2955 22.0421 3.13651 22.042 -26.502 -80.3378 3.13656 -80.3378 -4.30281 GPRESSAVG: 4185600 -23.6239 19.4865 6.20269 23.2844 -26.8669 -80.5743 1.06027 -78.649 -4.99475 TIMING: 4185600 CPU: 13232.4, 0.00316477/step Wall: 13232.4, 0.00316477/step, 0.715942 hours remaining, 235.140625 MB of memory in use. ENERGY: 4185600 4026.8876 20475.1687 14402.1088 251.4764 -203578.7842 2675.6641 0.0000 0.0000 52093.0183 -109654.4603 299.3793 -161747.4786 -109285.2449 298.4721 -154.3390 -124.7524 761292.0920 -18.3668 -18.4952 PRESSURE: 4185800 161.38 -220.314 -13.1659 -220.314 527.064 46.8866 -13.1653 46.8857 2.0358 GPRESSURE: 4185800 202.976 -77.8034 4.90329 -151.473 549.492 -20.0558 -80.506 97.1432 34.6577 PRESSAVG: 4185800 24.0977 -43.8273 15.4054 -43.8273 -44.9769 -35.4678 15.4053 -35.4679 -7.12572 GPRESSAVG: 4185800 23.7986 -41.947 13.1392 -44.1327 -44.7383 -34.5026 16.2864 -37.8679 -6.72324 TIMING: 4185800 CPU: 13233, 0.00316285/step Wall: 13233, 0.00316285/step, 0.715332 hours remaining, 235.140625 MB of memory in use. ENERGY: 4185800 3989.5852 20614.7487 14504.2955 249.5721 -203828.9533 2857.1846 0.0000 0.0000 52228.1556 -109385.4117 300.1559 -161613.5673 -109025.9429 299.3126 230.1601 262.3752 759667.7533 -9.3350 -9.2210 PRESSURE: 4186000 16.5682 -182.639 158.924 -182.64 37.3121 -53.4622 158.925 -53.4619 445.889 GPRESSURE: 4186000 21.8114 -144.683 192.788 -112.944 122.669 -110.908 110.918 -69.0954 438.341 PRESSAVG: 4186000 -13.4974 -23.4639 15.4994 -23.4639 49.2118 17.5651 15.4994 17.5651 4.716 GPRESSAVG: 4186000 -15.0332 -23.9123 17.6289 -23.1996 50.7542 16.067 15.1406 18.5369 4.64598 TIMING: 4186000 CPU: 13233.6, 0.00315886/step Wall: 13233.6, 0.00315886/step, 0.714253 hours remaining, 235.140625 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: 4186000 4058.7863 20558.8172 14439.1234 225.6975 -203668.8846 2846.5504 0.0000 0.0000 52139.7897 -109400.1200 299.6481 -161539.9098 -109025.7642 300.0054 166.5897 194.2738 760182.5210 13.4768 13.4556 PRESSURE: 4186200 128.45 -13.0736 44.2752 -13.0742 270.275 -60.5425 44.2752 -60.5418 276.136 GPRESSURE: 4186200 231.355 59.2181 51.4165 -8.22134 286.669 36.9481 -11.1808 -74.6656 239.999 PRESSAVG: 4186200 9.65681 9.31979 -44.1939 9.31977 -0.00992632 -10.1994 -44.1939 -10.1994 -1.0686 GPRESSAVG: 4186200 11.2586 11.0941 -45.871 9.15228 -0.99402 -9.36066 -42.9666 -8.97073 -1.47192 TIMING: 4186200 CPU: 13234.2, 0.00317328/step Wall: 13234.2, 0.00317328/step, 0.717338 hours remaining, 235.140625 MB of memory in use. ENERGY: 4186200 3990.4988 20640.3332 14540.0000 234.1807 -203612.6216 2679.5622 0.0000 0.0000 52008.2383 -109519.8083 298.8921 -161528.0467 -109158.0317 299.2922 224.9536 252.6743 760202.2229 2.8594 2.9309 PRESSURE: 4186400 -95.9235 -8.99309 45.6406 -8.9929 -232.168 45.8131 45.6409 45.8125 26.7544 GPRESSURE: 4186400 9.05008 -59.4679 68.1098 74.9818 -270.289 24.6507 93.3346 109.65 46.6809 PRESSAVG: 4186400 31.6703 -12.8244 28.5952 -12.8244 -2.95505 -9.96572 28.5952 -9.96569 36.2594 GPRESSAVG: 4186400 31.582 -15.692 28.6692 -11.7241 -3.43208 -10.5652 28.7342 -10.5535 36.9437 TIMING: 4186400 CPU: 13234.9, 0.0031637/step Wall: 13234.9, 0.0031637/step, 0.714997 hours remaining, 235.140625 MB of memory in use. ENERGY: 4186400 4003.2638 20599.1691 14460.3505 258.1684 -203751.3228 2679.1001 0.0000 0.0000 52287.7116 -109463.5593 300.4982 -161751.2709 -109107.9835 299.5544 -100.4455 -71.5192 761768.8807 21.6582 21.6979 PRESSURE: 4186600 -180.636 137.485 -1.8293 137.485 157.515 -228.758 -1.8309 -228.758 34.3123 GPRESSURE: 4186600 -78.4215 13.323 -48.7309 182 229.38 -291.013 50.2352 -233.576 -44.8578 PRESSAVG: 4186600 26.3341 4.60865 29.3313 4.60865 -24.6046 14.5411 29.3313 14.5411 25.2541 GPRESSAVG: 4186600 27.1531 4.6567 29.6368 4.45262 -24.8749 14.5505 26.3511 13.4325 24.7956 TIMING: 4186600 CPU: 13235.5, 0.00315458/step Wall: 13235.5, 0.00315458/step, 0.712759 hours remaining, 235.140625 MB of memory in use. ENERGY: 4186600 3963.9021 20477.3658 14481.3053 243.3962 -203679.8510 2844.5653 0.0000 0.0000 52059.8916 -109609.4248 299.1889 -161669.3164 -109236.7737 299.2777 3.7304 35.3668 762365.9070 8.9945 9.0246 PRESSURE: 4186800 204.321 -118.765 -35.3514 -118.764 269.948 77.4815 -35.3513 77.4814 -152.414 GPRESSURE: 4186800 203.307 -116.599 26.4076 -151.695 372.456 91.7912 36.8571 187.892 -164.099 PRESSAVG: 4186800 -7.57835 36.5205 57.6795 36.5204 36.4671 6.52421 57.6795 6.52419 -22.0388 GPRESSAVG: 4186800 -8.94806 38.5211 57.4548 35.1387 38.5596 6.90995 59.9312 7.35879 -22.8698 TIMING: 4186800 CPU: 13236.1, 0.00315046/step Wall: 13236.1, 0.00315046/step, 0.711653 hours remaining, 235.140625 MB of memory in use. ENERGY: 4186800 3965.5404 20678.6000 14435.7686 246.0890 -203940.7235 2865.1525 0.0000 0.0000 52119.5899 -109629.9831 299.5320 -161749.5730 -109276.5599 299.1940 107.2854 137.2216 761484.6583 2.2833 2.2472 PRESSURE: 4187000 -197.628 170.99 -37.4842 170.991 13.4295 -146.222 -37.4844 -146.223 292.022 GPRESSURE: 4187000 -154.501 202.893 -10.6779 137.542 47.2874 -188.652 -47.4435 -72.1482 304.136 PRESSAVG: 4187000 -22.1531 -47.4668 12.3616 -47.4669 45.569 41.2052 12.3617 41.2053 -3.76799 GPRESSAVG: 4187000 -21.6956 -46.2451 12.725 -46.6569 44.3194 41.2935 11.7459 40.7474 -2.57936 TIMING: 4187000 CPU: 13236.8, 0.00316826/step Wall: 13236.8, 0.00316826/step, 0.715499 hours remaining, 235.140625 MB of memory in use. ENERGY: 4187000 3999.9698 20426.8433 14506.6481 251.9650 -203562.8389 2729.3471 0.0000 0.0000 51974.4835 -109673.5821 298.6981 -161648.0656 -109308.1289 298.9323 35.9412 65.6407 760300.3900 6.5493 6.6815 PRESSURE: 4187200 -148.239 -199.213 -224.18 -199.212 60.2212 -38.7309 -224.179 -38.7312 315.759 GPRESSURE: 4187200 -73.3155 -112.765 -219.964 -169.109 134.083 54.6806 -176.879 -106.731 267.195 PRESSAVG: 4187200 -31.6043 -35.9779 7.56643 -35.9779 64.5713 58.8601 7.5664 58.86 -6.09344 GPRESSAVG: 4187200 -31.5379 -38.29 9.46945 -36.7951 64.2127 58.4004 7.96471 58.755 -6.19916 TIMING: 4187200 CPU: 13237.4, 0.00317131/step Wall: 13237.4, 0.00317131/step, 0.716011 hours remaining, 235.140625 MB of memory in use. ENERGY: 4187200 3977.3850 20250.9850 14482.1896 245.1784 -203503.7899 2707.4755 0.0000 0.0000 52262.3135 -109578.2628 300.3522 -161840.5764 -109211.9543 299.1072 75.9137 109.3210 761312.5822 8.9579 8.8252 PRESSURE: 4187400 -259.389 -43.9454 154.443 -43.9452 -132.279 22.108 154.443 22.1076 -234.56 GPRESSURE: 4187400 -272.788 -52.775 126.017 -26.5793 -68.57 14.0049 169.793 -29.7508 -217.954 PRESSAVG: 4187400 -20.933 -40.4596 -46.2 -40.4596 51.6349 8.35604 -46.2 8.35602 17.1159 GPRESSAVG: 4187400 -21.6287 -39.8017 -49.9662 -39.0501 52.587 8.63104 -43.5186 9.47042 17.1204 TIMING: 4187400 CPU: 13238, 0.00317755/step Wall: 13238, 0.00317755/step, 0.717244 hours remaining, 235.140625 MB of memory in use. ENERGY: 4187400 3934.8301 20592.7687 14466.6148 262.1186 -203197.3057 2204.2938 0.0000 0.0000 51970.4815 -109766.1982 298.6751 -161736.6797 -109397.7997 298.7460 -208.7428 -186.4371 761752.1580 15.9392 16.0262 PRESSURE: 4187600 -30.5453 -23.3058 202.984 -23.3056 -114.938 11.1272 202.983 11.1281 25.9546 GPRESSURE: 4187600 -12.0843 38.991 207.48 70.455 -79.4258 -3.52384 214.277 -123.645 19.2418 PRESSAVG: 4187600 -49.624 -38.6069 27.215 -38.6068 32.2846 39.604 27.215 39.604 -8.30193 GPRESSAVG: 4187600 -49.1442 -38.0209 28.6863 -41.2536 31.4259 37.7314 25.2909 40.306 -8.50511 TIMING: 4187600 CPU: 13238.7, 0.00316605/step Wall: 13238.7, 0.00316605/step, 0.714471 hours remaining, 235.140625 MB of memory in use. ENERGY: 4187600 3968.6443 20546.1037 14528.8644 241.8048 -203730.7377 2560.1761 0.0000 0.0000 52046.1318 -109839.0126 299.1098 -161885.1445 -109479.9364 298.9515 -39.8429 -24.0894 759399.0944 -8.5471 -8.7411 PRESSURE: 4187800 -223.325 -229.523 -302.919 -229.523 -214.086 94.0748 -302.919 94.0742 -158.809 GPRESSURE: 4187800 -178.08 -158.873 -186.861 -181.059 -187.543 186.582 -288.946 11.5103 -152.307 PRESSAVG: 4187800 -15.1425 -64.4617 -8.83637 -64.4616 -3.07421 30.3064 -8.83642 30.3063 -23.7222 GPRESSAVG: 4187800 -14.3435 -65.6182 -7.93611 -65.5666 -3.99612 33.9788 -10.3824 27.8263 -23.8408 TIMING: 4187800 CPU: 13239.3, 0.00316727/step Wall: 13239.3, 0.00316727/step, 0.714571 hours remaining, 235.140625 MB of memory in use. ENERGY: 4187800 3965.3104 20643.7680 14462.0274 244.9194 -203793.6884 2738.4924 0.0000 0.0000 52051.3151 -109687.8556 299.1396 -161739.1708 -109337.5637 299.2296 -198.7398 -172.6433 762671.4784 -13.9796 -14.0602 PRESSURE: 4188000 -124.985 -126.866 -189.442 -126.866 -75.4321 21.8122 -189.441 21.812 -20.4723 GPRESSURE: 4188000 -99.22 69.7953 -58.1696 -48.3658 5.3797 -1.32081 -105.48 23.0934 -22.8933 PRESSAVG: 4188000 4.57437 9.15435 -36.1586 9.15434 -37.1166 37.6552 -36.1586 37.6552 -13.5157 GPRESSAVG: 4188000 5.03749 10.804 -37.321 10.3867 -36.9556 36.7184 -33.8851 36.3444 -14.3086 TIMING: 4188000 CPU: 13240, 0.00319632/step Wall: 13240, 0.00319632/step, 0.720949 hours remaining, 235.140625 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: 4188000 4008.1463 20650.0411 14423.8139 253.7854 -203494.1169 2585.9717 0.0000 0.0000 51972.7152 -109599.6433 298.6879 -161572.3585 -109239.7392 298.9779 -73.6298 -38.9112 761723.2831 -15.3526 -15.4089 PRESSURE: 4188200 203.173 -8.00199 37.836 -8.00153 68.9957 -58.7093 37.8358 -58.7107 -307.392 GPRESSURE: 4188200 174.441 -64.0065 13.566 25.4881 50.7693 -21.2471 -62.5779 -87.8121 -166.991 PRESSAVG: 4188200 24.2888 -15.09 29.3708 -15.09 -12.9895 11.4313 29.3708 11.4313 25.7157 GPRESSAVG: 4188200 22.4105 -17.9446 30.334 -12.578 -13.7062 10.98 28.1468 12.9204 28.0222 TIMING: 4188200 CPU: 13240.6, 0.00315687/step Wall: 13240.6, 0.00315686/step, 0.711873 hours remaining, 235.140625 MB of memory in use. ENERGY: 4188200 4004.8743 20507.8722 14431.2164 251.4334 -203453.9875 2597.3115 0.0000 0.0000 52068.9289 -109592.3509 299.2408 -161661.2797 -109227.3951 299.2348 -11.7414 19.4064 761605.9372 12.3383 12.2422 LDB: ============= START OF LOAD BALANCING ============== 13253.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13253.1 LDB: =============== DONE WITH MIGRATION ================ 13253.1 LDB: ============= START OF LOAD BALANCING ============== 13253.4 LDB: Largest compute 7077 load 0.035244 is 18.0% of average load 0.195604 LDB: Average compute 0.004386 is 2.2% of average load 0.195604 LDB: TIME 13253.4 LOAD: AVG 0.195604 MAX 0.214944 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.289 MB LDB: TIME 13253.4 LOAD: AVG 0.195604 MAX 0.214944 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 13253.4 LOAD: AVG 0.195604 MAX 0.214944 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 13253.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13253.4 PRESSURE: 4188400 -99.9872 -45.6803 52.7008 -45.6789 -232.705 -170.409 52.6998 -170.408 -257.936 GPRESSURE: 4188400 -31.5752 -36.7502 38.3668 -49.8337 -276.251 -134.707 117.872 -98.9155 -211.021 PRESSAVG: 4188400 -7.95282 5.52108 -17.3851 5.52104 -10.6656 0.800173 -17.3851 0.800161 -11.0118 GPRESSAVG: 4188400 -7.41606 8.30479 -17.9211 3.60924 -9.86768 0.815521 -16.2333 -0.756059 -12.1026 TIMING: 4188400 CPU: 13241.2, 0.0032249/step Wall: 13241.2, 0.0032249/step, 0.727036 hours remaining, 234.882812 MB of memory in use. ENERGY: 4188400 4002.3888 20689.3864 14530.9908 256.3768 -203296.7668 2442.6621 0.0000 0.0000 51877.7161 -109497.2458 298.1419 -161374.9619 -109129.3067 299.1275 -196.8759 -172.9490 761802.3634 -9.8767 -9.7955 PRESSURE: 4188600 185.835 98.9438 -81.7117 98.9442 360.211 69.3517 -81.7116 69.3513 -318.419 GPRESSURE: 4188600 192.521 64.2708 -31.893 125.618 331.266 31.4768 -104.053 24.2854 -211.638 PRESSAVG: 4188600 18.2904 29.2272 -30.8303 29.2271 1.63954 24.0497 -30.8303 24.0497 1.12543 GPRESSAVG: 4188600 18.1961 29.492 -30.6802 29.815 1.50118 23.6148 -31.1481 26.7482 1.64382 TIMING: 4188600 CPU: 13241.9, 0.00316799/step Wall: 13241.9, 0.00316799/step, 0.71403 hours remaining, 234.882812 MB of memory in use. ENERGY: 4188600 3976.8960 20519.7663 14482.9807 238.4118 -203519.9298 2609.3104 0.0000 0.0000 52086.6509 -109605.9139 299.3427 -161692.5648 -109239.6943 299.2796 75.8755 104.0497 762497.9311 7.0185 7.1137 PRESSURE: 4188800 182.777 153.258 -3.47672 153.258 -74.7206 18.0922 -3.47696 18.0915 -299.93 GPRESSURE: 4188800 139.328 167.639 61.0651 186.158 -24.2764 -37.3486 -80.9159 -10.6258 -231.34 PRESSAVG: 4188800 6.7811 31.818 9.57814 31.818 -22.3733 -4.04082 9.5781 -4.0409 19.727 GPRESSAVG: 4188800 7.17274 31.5696 8.4575 31.609 -22.078 -3.02867 10.2156 -5.62748 19.1334 TIMING: 4188800 CPU: 13242.5, 0.00316195/step Wall: 13242.5, 0.00316195/step, 0.712492 hours remaining, 234.882812 MB of memory in use. ENERGY: 4188800 4017.6918 20589.9463 14488.7376 244.3504 -203382.4012 2612.8164 0.0000 0.0000 51934.8386 -109494.0201 298.4702 -161428.8587 -109128.3636 299.4632 -63.9579 -38.7629 761130.6965 1.3783 1.4094 PRESSURE: 4189000 132.154 -26.7049 23.2188 -26.7055 118.526 -205.228 23.2193 -205.229 -302.586 GPRESSURE: 4189000 275.668 -82.744 33.0609 37.5059 86.8107 -177.389 -19.9786 -219.491 -353.356 PRESSAVG: 4189000 18.6166 0.65724 38.3186 0.657262 3.36658 -1.88705 38.3186 -1.88705 25.5486 GPRESSAVG: 4189000 18.8355 -1.23664 37.6595 3.05494 3.89822 -2.39329 39.9469 -0.947763 24.6194 TIMING: 4189000 CPU: 13243.1, 0.00316356/step Wall: 13243.1, 0.00316356/step, 0.712679 hours remaining, 234.882812 MB of memory in use. ENERGY: 4189000 3955.6702 20500.1315 14474.3376 239.5101 -203234.5555 2573.7265 0.0000 0.0000 51978.5820 -109512.5975 298.7216 -161491.1795 -109144.8488 299.4208 -17.3018 3.0407 761648.4537 15.8439 15.7844 PRESSURE: 4189200 -43.9292 46.3081 211.244 46.3081 -123.912 -154.145 211.244 -154.145 228.472 GPRESSURE: 4189200 -28.2795 113.935 323.896 -22.7417 -81.7502 -173.699 60.9414 -151.876 239.361 PRESSAVG: 4189200 5.96718 0.522922 27.5816 0.522973 -22.8655 -44.1774 27.5816 -44.1774 4.77053 GPRESSAVG: 4189200 6.2711 1.89974 29.7064 -1.64092 -24.2599 -43.4852 25.3924 -43.7673 5.43583 TIMING: 4189200 CPU: 13243.8, 0.0031681/step Wall: 13243.8, 0.0031681/step, 0.713526 hours remaining, 234.882812 MB of memory in use. ENERGY: 4189200 3989.8229 20681.1871 14529.5216 253.2178 -203689.9071 2813.3733 0.0000 0.0000 52089.1146 -109333.6697 299.3569 -161422.7843 -108962.9246 299.9376 20.2100 43.1105 761090.2203 -4.0426 -4.1843 PRESSURE: 4189400 44.5048 -162.485 -39.4639 -162.486 -177.82 36.6885 -39.4636 36.6893 -475.174 GPRESSURE: 4189400 22.7297 -139.073 7.58621 -150.884 -40.6598 61.0713 0.38035 -44.998 -524.999 PRESSAVG: 4189400 -20.9862 -30.9181 -20.6024 -30.9182 -10.2104 -17.6489 -20.6023 -17.6489 -1.28737 GPRESSAVG: 4189400 -21.7249 -30.4323 -21.3703 -31.051 -10.1142 -17.9942 -20.1768 -17.4171 -1.359 TIMING: 4189400 CPU: 13244.4, 0.00316443/step Wall: 13244.4, 0.00316443/step, 0.712524 hours remaining, 234.882812 MB of memory in use. ENERGY: 4189400 4006.8389 20494.4272 14464.8866 240.3940 -202962.0352 2516.9906 0.0000 0.0000 52071.4219 -109167.0762 299.2552 -161238.4981 -108814.1172 299.7371 -202.8296 -180.9763 761825.1352 -10.8280 -11.0660 PRESSURE: 4189600 6.60775 17.9083 -244.621 17.9081 92.5987 -171.364 -244.622 -171.365 247.8 GPRESSURE: 4189600 -3.5776 55.4836 -250.528 54.8857 160.262 -88.1664 -213.405 -92.3623 256.28 PRESSAVG: 4189600 -31.4201 -76.8961 -56.3105 -76.8961 13.1154 70.5979 -56.3104 70.5979 19.9891 GPRESSAVG: 4189600 -31.2277 -78.4056 -55.1924 -74.6183 13.1617 70.3743 -55.2809 68.958 20.2916 TIMING: 4189600 CPU: 13245, 0.00316589/step Wall: 13245, 0.00316589/step, 0.712677 hours remaining, 234.882812 MB of memory in use. ENERGY: 4189600 3997.0392 20401.5920 14414.8059 252.0694 -203459.3460 2649.6776 0.0000 0.0000 52384.3893 -109359.7726 301.0538 -161744.1618 -108996.4045 299.5180 115.6687 137.6546 761664.0461 0.5614 0.7419 PRESSURE: 4189800 278.015 181.126 77.8797 181.125 81.394 2.96354 77.8802 2.96319 496.681 GPRESSURE: 4189800 270.834 26.4353 114.591 125.538 200.693 73.9148 106.768 47.7449 465.924 PRESSAVG: 4189800 -31.0666 -47.6128 -33.8125 -47.6129 22.3248 34.0107 -33.8126 34.0107 -24.5749 GPRESSAVG: 4189800 -31.3071 -46.0641 -34.0953 -52.184 23.063 35.2991 -32.3345 32.8432 -25.352 TIMING: 4189800 CPU: 13245.7, 0.00316814/step Wall: 13245.7, 0.00316814/step, 0.713007 hours remaining, 234.882812 MB of memory in use. ENERGY: 4189800 4022.0433 20412.7372 14464.6335 236.2654 -203560.7675 2979.9550 0.0000 0.0000 52033.0239 -109412.1091 299.0345 -161445.1330 -109047.9608 299.5925 285.3635 312.4837 761848.3865 -11.1056 -11.1987 PRESSURE: 4190000 -93.3715 -186.157 -96.045 -186.157 -104.016 -217.183 -96.0442 -217.182 -59.5654 GPRESSURE: 4190000 29.8144 -137.531 -92.5697 -157.514 -96.9634 -196.024 -172.742 -213.968 -113.35 PRESSAVG: 4190000 29.8493 -48.4508 24.2468 -48.4508 -67.8589 55.314 24.2468 55.314 18.6381 GPRESSAVG: 4190000 30.4873 -50.0652 22.8098 -45.0612 -68.5922 53.9918 22.7676 58.3865 18.5499 TIMING: 4190000 CPU: 13246.3, 0.00317409/step Wall: 13246.3, 0.00317409/step, 0.714171 hours remaining, 234.882812 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: 4190000 4016.5085 20420.3974 14441.8189 246.6530 -203306.6673 2518.2533 0.0000 0.0000 52185.9120 -109477.1243 299.9132 -161663.0363 -109103.0304 299.2702 -85.6511 -60.1664 763277.5182 -6.4571 -6.5183 PRESSURE: 4190200 -98.7855 -142.133 181.72 -142.133 -239.557 200.708 181.72 200.707 -443.639 GPRESSURE: 4190200 -134.093 -142.907 137.744 -30.5423 -179.199 115.081 167.435 38.1066 -376.326 PRESSAVG: 4190200 7.26577 -32.7461 43.5971 -32.7461 9.36138 0.611772 43.5971 0.611764 -28.3292 GPRESSAVG: 4190200 6.73547 -32.3293 44.4081 -33.1176 9.33017 0.796414 42.8428 -2.71235 -27.6665 TIMING: 4190200 CPU: 13246.9, 0.0031813/step Wall: 13246.9, 0.0031813/step, 0.715616 hours remaining, 234.882812 MB of memory in use. ENERGY: 4190200 3989.9306 20638.9643 14412.3233 238.5251 -203396.0971 2545.0956 0.0000 0.0000 51947.5081 -109623.7500 298.5430 -161571.2581 -109261.0166 298.7957 -260.6606 -229.8726 762933.9978 -3.9007 -3.8670 PRESSURE: 4190400 310.694 227.908 -10.1447 227.906 161.872 -134.922 -10.1452 -134.923 374.965 GPRESSURE: 4190400 360.038 143.277 11.3132 317.873 204.499 -191.525 -63.6525 -39.3491 345.834 PRESSAVG: 4190400 34.46 -6.59466 21.8568 -6.59462 -30.534 -44.1567 21.8568 -44.1567 9.93416 GPRESSAVG: 4190400 33.6819 -5.93561 21.361 -7.11049 -29.3539 -44.3944 23.6995 -41.7375 9.97371 TIMING: 4190400 CPU: 13247.6, 0.00318286/step Wall: 13247.6, 0.00318286/step, 0.715789 hours remaining, 234.882812 MB of memory in use. ENERGY: 4190400 3951.8390 20463.7141 14444.6925 231.7444 -203451.8723 2815.0585 0.0000 0.0000 51986.6055 -109558.2184 298.7677 -161544.8239 -109196.5977 298.9103 282.5103 303.4570 762176.6369 4.6201 4.7672 PRESSURE: 4190600 174.114 -47.9607 -23.6745 -47.9603 -120.634 86.2258 -23.6744 86.2256 200.22 GPRESSURE: 4190600 163.179 24.0341 -0.98982 -118.44 -44.6215 74.0613 -83.2729 152.939 214.841 PRESSAVG: 4190600 -30.5658 -13.6465 3.33635 -13.6466 -0.339324 -5.37368 3.33628 -5.37363 -11.3801 GPRESSAVG: 4190600 -28.5492 -13.7343 3.2606 -12.9036 -3.0712 -5.47913 2.62435 -5.41814 -11.1139 TIMING: 4190600 CPU: 13248.2, 0.00319367/step Wall: 13248.2, 0.00319367/step, 0.718044 hours remaining, 234.882812 MB of memory in use. ENERGY: 4190600 3981.5260 20548.7098 14597.1281 247.6523 -203602.1092 2843.9060 0.0000 0.0000 52022.9844 -109360.2026 298.9768 -161383.1870 -108998.1048 298.6626 84.5671 111.1326 762192.8436 -14.0951 -14.2448 PRESSURE: 4190800 -223.117 298.191 224.109 298.191 23.416 -158.125 224.109 -158.124 56.1118 GPRESSURE: 4190800 -137.688 192.051 207.402 332.234 -14.4631 -218.223 178.207 -52.4877 99.1178 PRESSAVG: 4190800 15.796 -33.5596 60.9658 -33.5596 -34.0109 3.46763 60.9658 3.46764 18.1859 GPRESSAVG: 4190800 15.7387 -35.8001 60.7658 -33.0922 -32.7819 4.84749 61.0175 2.90346 17.2744 TIMING: 4190800 CPU: 13248.8, 0.00317787/step Wall: 13248.8, 0.00317787/step, 0.714314 hours remaining, 234.882812 MB of memory in use. ENERGY: 4190800 4039.9639 20399.5206 14496.2994 241.7631 -203224.6632 2538.5313 0.0000 0.0000 52340.9986 -109167.5863 300.8044 -161508.5849 -108799.7379 299.7573 -47.8632 -17.6778 763083.0244 -0.0097 0.0771 PRESSURE: 4191000 102.536 -0.761767 127.782 -0.761432 46.4167 18.873 127.781 18.8709 76.2648 GPRESSURE: 4191000 127.906 189.32 101.465 -97.6049 124.078 -104.878 -4.76766 10.5173 47.9084 PRESSAVG: 4191000 71.4072 2.99889 44.6321 2.99886 -62.9508 38.9652 44.6321 38.9652 -3.11249 GPRESSAVG: 4191000 71.548 5.63621 44.6682 1.17867 -62.3114 36.601 42.9343 39.3756 -4.02027 TIMING: 4191000 CPU: 13249.5, 0.00317415/step Wall: 13249.5, 0.00317415/step, 0.713302 hours remaining, 234.882812 MB of memory in use. ENERGY: 4191000 3952.6555 20652.6964 14525.9969 245.5728 -203198.8763 2507.8316 0.0000 0.0000 52134.0636 -109180.0595 299.6152 -161314.1231 -108816.1120 299.6520 75.0726 99.9641 761158.5056 1.7813 1.7388 PRESSURE: 4191200 141.591 109.671 188.207 109.671 5.7238 24.6156 188.206 24.6137 -148.277 GPRESSURE: 4191200 179.736 109.628 230.721 93.2557 -5.96295 -65.54 152.873 56.6557 -90.4834 PRESSAVG: 4191200 45.7816 -5.93157 49.2525 -5.93159 -31.8937 23.7053 49.2525 23.7053 -7.5395 GPRESSAVG: 4191200 44.9196 -5.4492 49.7667 -3.31718 -32.212 25.8882 48.1736 23.32 -5.63797 TIMING: 4191200 CPU: 13250.1, 0.00318715/step Wall: 13250.1, 0.00318715/step, 0.716046 hours remaining, 234.882812 MB of memory in use. ENERGY: 4191200 4046.5243 20482.7120 14496.1485 270.4990 -203647.0628 2797.9812 0.0000 0.0000 52190.1782 -109363.0195 299.9377 -161553.1977 -108994.6317 299.6542 -0.3210 27.7633 761636.7852 2.1161 2.3565 PRESSURE: 4191400 -311.22 -137.799 81.7177 -137.8 -385.765 -84.8193 81.7168 -84.8183 -410.826 GPRESSURE: 4191400 -242.158 -176.788 59.2479 -184.826 -385.701 -95.4249 9.92585 36.0723 -410.033 PRESSAVG: 4191400 -12.4144 -37.4785 19.8476 -37.4786 -1.41754 -16.8373 19.8476 -16.8373 19.8673 GPRESSAVG: 4191400 -12.8798 -38.795 19.8695 -36.3784 -0.234243 -17.25 19.7502 -17.2048 18.2732 TIMING: 4191400 CPU: 13250.8, 0.00317699/step Wall: 13250.8, 0.00317699/step, 0.713587 hours remaining, 234.882812 MB of memory in use. ENERGY: 4191400 4016.5587 20663.8318 14500.8247 249.0254 -203186.0881 2371.8880 0.0000 0.0000 52211.2767 -109172.6830 300.0589 -161383.9597 -108818.7669 299.7934 -369.2700 -345.9640 761748.3158 2.0118 1.7197 PRESSURE: 4191600 225.875 -68.3538 305.645 -68.3541 22.6652 42.7111 305.645 42.7098 271.874 GPRESSURE: 4191600 314.573 -65.5398 251.796 -7.51025 41.8613 82.1249 178.686 62.6367 263.683 PRESSAVG: 4191600 24.4778 23.6595 6.02967 23.6594 4.60763 55.1167 6.0297 55.1167 9.85603 GPRESSAVG: 4191600 24.8337 24.0071 8.33753 21.0967 3.31985 56.063 6.58733 55.3565 10.2799 TIMING: 4191600 CPU: 13251.4, 0.00315215/step Wall: 13251.4, 0.00315215/step, 0.707833 hours remaining, 234.882812 MB of memory in use. ENERGY: 4191600 3965.7913 20356.8629 14397.4617 242.8440 -203222.3637 2583.1018 0.0000 0.0000 52472.5270 -109203.7750 301.5603 -161676.3021 -108835.0221 299.7250 173.4712 206.7060 762104.6587 12.9805 12.8112 PRESSURE: 4191800 216.522 -79.4527 295.582 -79.4525 111.558 5.46505 295.581 5.46433 636.823 GPRESSURE: 4191800 264.481 -102.396 237.788 76.0735 183.526 -73.6742 238.072 92.2655 601.878 PRESSAVG: 4191800 -19.5244 -43.5229 14.3813 -43.5229 11.5218 17.6392 14.3813 17.6392 25.04 GPRESSAVG: 4191800 -20.0118 -42.6555 12.1073 -42.27 12.1293 16.9991 15.2976 19.6874 25.2259 TIMING: 4191800 CPU: 13252, 0.00317879/step Wall: 13252, 0.00317879/step, 0.713639 hours remaining, 234.882812 MB of memory in use. ENERGY: 4191800 3934.2057 20448.1171 14427.9456 242.0669 -203736.9329 3074.1178 0.0000 0.0000 52320.2920 -109290.1877 300.6854 -161610.4797 -108926.2781 299.5213 321.6343 349.9617 760862.7486 5.6791 5.7811 PRESSURE: 4192000 -2.22846 -100.035 -95.9145 -100.036 -273.03 355.713 -95.9149 355.713 -138.791 GPRESSURE: 4192000 -6.91946 -188.539 -134.772 -132.638 -211.338 225.222 -129.542 354.55 -123.71 PRESSAVG: 4192000 57.9018 -18.3238 -3.83016 -18.3238 2.54877 20.2498 -3.83018 20.2498 -13.7124 GPRESSAVG: 4192000 58.7805 -18.6338 -3.64213 -19.688 1.55593 18.4031 -3.92999 18.4597 -13.6549 TIMING: 4192000 CPU: 13252.6, 0.00316134/step Wall: 13252.6, 0.00316134/step, 0.709544 hours remaining, 234.882812 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: 4192000 4000.6402 20572.0982 14508.5410 265.9559 -202801.0146 2206.9638 0.0000 0.0000 51839.3932 -109407.4224 297.9217 -161246.8156 -109061.1038 299.6063 -138.0167 -113.9892 761531.8156 15.5794 15.5605 PRESSURE: 4192200 28.6307 64.1978 -146.774 64.1986 -110.365 -20.1546 -146.775 -20.1535 99.2118 GPRESSURE: 4192200 -32.0491 -17.4259 -196.61 -131.085 39.8669 39.7872 -2.88258 -63.0099 87.4628 PRESSAVG: 4192200 -16.0725 -25.9921 -55.603 -25.9921 15.2235 30.8583 -55.6029 30.8583 8.55003 GPRESSAVG: 4192200 -17.1476 -26.1379 -54.5966 -24.1797 16.875 33.5722 -56.8709 30.5066 7.98693 TIMING: 4192200 CPU: 13253.3, 0.00316003/step Wall: 13253.3, 0.00316003/step, 0.709076 hours remaining, 234.882812 MB of memory in use. ENERGY: 4192200 3949.6737 20457.0226 14571.0597 262.4993 -203160.6578 2407.4040 0.0000 0.0000 51952.1062 -109560.8922 298.5695 -161512.9984 -109206.0777 298.6391 5.8259 31.7602 760519.7722 2.5670 2.5714 LDB: ============= START OF LOAD BALANCING ============== 13265.8 LDB: ============== END OF LOAD BALANCING =============== 13265.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13265.8 LDB: ============= START OF LOAD BALANCING ============== 13266.1 LDB: Largest compute 7067 load 0.033727 is 17.2% of average load 0.195628 LDB: Average compute 0.004375 is 2.2% of average load 0.195628 LDB: TIME 13266.1 LOAD: AVG 0.195628 MAX 0.217882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 13266.1 LOAD: AVG 0.195628 MAX 0.217882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: TIME 13266.1 LOAD: AVG 0.195628 MAX 0.217882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.945 MB LDB: ============== END OF LOAD BALANCING =============== 13266.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13266.1 PRESSURE: 4192400 -85.8742 58.1035 112.195 58.1036 -42.0322 115.251 112.195 115.251 157.766 GPRESSURE: 4192400 -70.4608 16.5993 39.3422 -0.299989 2.43487 118.935 30.5139 22.4682 195.558 PRESSAVG: 4192400 -21.1495 -43.0773 -8.71116 -43.0773 17.3376 32.785 -8.71108 32.785 25.4775 GPRESSAVG: 4192400 -20.8802 -44.826 -9.36299 -44.9636 15.3255 31.4768 -7.58331 32.3253 27.0593 TIMING: 4192400 CPU: 13253.9, 0.0032395/step Wall: 13253.9, 0.0032395/step, 0.726727 hours remaining, 235.617188 MB of memory in use. ENERGY: 4192400 4005.8754 20543.3084 14482.6132 233.2401 -203507.6764 2514.1742 0.0000 0.0000 51848.5240 -109879.9411 297.9742 -161728.4651 -109519.6866 298.8844 9.9532 42.5107 760131.7077 7.2219 7.1682 PRESSURE: 4192600 71.2645 38.4298 59.932 38.4297 338.823 -168.26 59.9317 -168.26 388.956 GPRESSURE: 4192600 167.854 79.5515 144.18 29.1753 388.553 -110.692 -114.73 -131.401 336.699 PRESSAVG: 4192600 -9.26046 6.15675 37.0354 6.15671 -4.51678 -29.6853 37.0354 -29.6853 19.9099 GPRESSAVG: 4192600 -9.97426 8.59872 37.1636 7.05019 -3.18416 -28.9268 35.7728 -27.7832 19.2961 TIMING: 4192600 CPU: 13254.6, 0.00317599/step Wall: 13254.6, 0.00317599/step, 0.712305 hours remaining, 235.617188 MB of memory in use. ENERGY: 4192600 3930.8118 20430.4234 14441.7880 246.2159 -203726.8051 2866.7521 0.0000 0.0000 52018.0465 -109792.7675 298.9484 -161810.8140 -109437.8075 298.5181 266.3479 297.7017 760781.2099 2.0442 2.0459 PRESSURE: 4192800 -157.005 -53.0109 225.673 -53.0105 198.25 206.245 225.673 206.242 96.5775 GPRESSURE: 4192800 -18.9572 -149.501 138.464 -19.8406 165.343 159.815 285.402 177.863 70.9769 PRESSAVG: 4192800 59.7043 -15.0554 41.5296 -15.0554 -18.4426 -13.0615 41.5296 -13.0616 -20.2965 GPRESSAVG: 4192800 58.9253 -14.9701 42.1937 -15.0734 -17.3602 -12.7628 42.6889 -14.1101 -20.5888 TIMING: 4192800 CPU: 13255.2, 0.00318432/step Wall: 13255.2, 0.00318432/step, 0.713996 hours remaining, 235.875000 MB of memory in use. ENERGY: 4192800 3936.1796 20608.8079 14464.2523 226.5744 -203535.4413 2626.6468 0.0000 0.0000 51909.1096 -109763.8707 298.3224 -161672.9803 -109407.6414 298.6860 45.9408 72.4544 760674.4336 6.9884 6.9921 PRESSURE: 4193000 192.915 172.492 -153.154 172.492 266.673 -114.737 -153.154 -114.736 238.813 GPRESSURE: 4193000 222.035 140.734 -140.644 200.801 322.579 -59.7897 -112.186 -161.087 215.388 PRESSAVG: 4193000 -17.6335 -35.5963 -11.1145 -35.5962 11.1261 29.0998 -11.1146 29.0998 6.00992 GPRESSAVG: 4193000 -15.9795 -37.2857 -12.148 -36.4399 10.311 29.6466 -10.6714 26.4948 5.14425 TIMING: 4193000 CPU: 13255.8, 0.00317783/step Wall: 13255.8, 0.00317783/step, 0.712365 hours remaining, 235.875000 MB of memory in use. ENERGY: 4193000 3999.6610 20485.5216 14474.5536 246.3680 -203590.4990 2823.9752 0.0000 0.0000 52031.4046 -109529.0150 299.0252 -161560.4197 -109168.1185 298.8966 232.8005 253.3340 761110.7281 -0.1658 -0.1747 PRESSURE: 4193200 -340.608 -217.686 -169.13 -217.686 -119.073 -21.1255 -169.13 -21.1257 31.5035 GPRESSURE: 4193200 -312.899 -327.942 -192.581 -125.485 -146.194 66.2875 -176.997 -61.0558 107.584 PRESSAVG: 4193200 19.9859 -7.29495 -6.36504 -7.29499 2.2611 -31.3503 -6.36502 -31.3502 16.919 GPRESSAVG: 4193200 19.8945 -6.46046 -6.64532 -5.41146 1.02088 -31.9463 -7.18487 -29.8092 18.4611 TIMING: 4193200 CPU: 13256.5, 0.00317365/step Wall: 13256.5, 0.00317365/step, 0.711249 hours remaining, 235.875000 MB of memory in use. ENERGY: 4193200 3981.6698 20572.3248 14453.1532 259.2264 -202992.6538 2284.8819 0.0000 0.0000 52045.8059 -109395.5917 299.1080 -161441.3977 -109033.8971 299.5689 -142.7258 -117.1697 762947.7506 13.0553 13.1255 PRESSURE: 4193400 -104.741 168.72 64.5898 168.72 -224.824 215.807 64.5904 215.807 -121.213 GPRESSURE: 4193400 -155.617 36.7347 70.2242 154.289 -82.3458 259.127 59.2477 155.156 -131.797 PRESSAVG: 4193400 -16.977 -6.98828 29.2829 -6.98824 -4.17124 19.5086 29.2829 19.5086 18.4255 GPRESSAVG: 4193400 -16.1915 -6.64855 30.1469 -8.83997 -4.00199 19.6736 29.9115 20.9909 17.7713 TIMING: 4193400 CPU: 13257.1, 0.00318298/step Wall: 13257.1, 0.00318298/step, 0.713165 hours remaining, 235.875000 MB of memory in use. ENERGY: 4193400 3907.1393 20375.8608 14564.3846 249.2457 -203183.7590 2473.7888 0.0000 0.0000 52160.1900 -109453.1500 299.7653 -161613.3399 -109086.0364 299.5034 -150.2590 -123.2532 761193.6459 -0.9076 -0.8074 PRESSURE: 4193600 -32.5804 12.9949 266.793 12.9954 210.88 -454.498 266.794 -454.498 179.776 GPRESSURE: 4193600 23.4699 15.365 353.476 24.3259 284.357 -497.909 170.658 -290.81 144.156 PRESSAVG: 4193600 9.47502 -11.8113 16.4615 -11.8113 24.1579 62.7481 16.4615 62.7481 -6.03114 GPRESSAVG: 4193600 8.5693 -12.1384 14.6094 -11.2286 24.92 62.8737 16.984 61.1144 -5.47925 TIMING: 4193600 CPU: 13257.7, 0.00318607/step Wall: 13257.7, 0.00318607/step, 0.71368 hours remaining, 235.875000 MB of memory in use. ENERGY: 4193600 3936.2872 20577.1696 14424.0199 220.5999 -203285.6224 2586.0023 0.0000 0.0000 52112.4391 -109429.1044 299.4909 -161541.5436 -109060.8783 299.4648 119.3587 150.6612 761189.4802 9.2006 9.3367 PRESSURE: 4193800 -263.22 86.7481 -117.551 86.7484 87.5971 47.7536 -117.551 47.7534 282.39 GPRESSURE: 4193800 -216.66 51.1522 -177.597 167.952 112.951 2.63455 43.3564 -73.5997 277.119 PRESSAVG: 4193800 -14.5757 35.7943 -5.88217 35.7943 18.2786 -4.79818 -5.88218 -4.79826 -9.05173 GPRESSAVG: 4193800 -13.4229 35.6441 -5.16036 36.6041 18.6188 -5.93321 -6.17524 -2.65811 -10.2944 TIMING: 4193800 CPU: 13258.4, 0.00316493/step Wall: 13258.4, 0.00316493/step, 0.708767 hours remaining, 235.875000 MB of memory in use. ENERGY: 4193800 3918.9127 20564.1860 14522.1463 254.8553 -203164.3021 2340.4743 0.0000 0.0000 52007.6321 -109556.0954 298.8886 -161563.7275 -109191.0539 299.0225 35.5893 57.8032 761324.1643 -1.7830 -1.6995 PRESSURE: 4194000 147.963 -203.956 -50.304 -203.956 169.526 87.3166 -50.3042 87.3165 -35.839 GPRESSURE: 4194000 175.973 -222.14 -21.4931 -160.002 146.26 39.589 -69.0872 -19.6455 49.7345 PRESSAVG: 4194000 -13.1143 -23.7804 -0.481466 -23.7804 -29.0738 -22.0693 -0.481493 -22.0693 32.6647 GPRESSAVG: 4194000 -12.6386 -21.6735 0.0743234 -24.3606 -31.4364 -20.7477 -1.39475 -24.4441 34.3023 TIMING: 4194000 CPU: 13259, 0.00317523/step Wall: 13259, 0.00317523/step, 0.710898 hours remaining, 235.875000 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: 4194000 3970.8415 20457.9830 14488.3921 247.0172 -202802.5889 2194.3321 0.0000 0.0000 52036.4740 -109407.5490 299.0543 -161444.0230 -109050.2006 299.4098 93.8834 123.9892 763638.9928 -3.1745 -3.2576 PRESSURE: 4194200 268.102 -39.1261 -133.238 -39.126 413.69 -215.808 -133.237 -215.809 120.612 GPRESSURE: 4194200 296.131 3.30179 -154.321 -39.5024 453.689 -128.349 -197.221 -189.579 140.207 PRESSAVG: 4194200 -46.273 -30.2823 31.5674 -30.2823 71.1433 -38.6698 31.5675 -38.6698 -13.3276 GPRESSAVG: 4194200 -47.4559 -31.1984 32.5261 -29.5293 72.7586 -38.8405 31.6533 -38.0004 -13.6704 TIMING: 4194200 CPU: 13259.6, 0.00318397/step Wall: 13259.6, 0.00318397/step, 0.712678 hours remaining, 235.875000 MB of memory in use. ENERGY: 4194200 3904.6366 20439.6055 14518.4234 249.7913 -202832.8665 2350.8460 0.0000 0.0000 51993.4324 -109376.1313 298.8070 -161369.5637 -109024.4689 299.3318 267.4682 296.6758 762939.8683 3.8476 3.8774 PRESSURE: 4194400 -100.567 -11.4996 -100.205 -11.5001 590.414 -56.6047 -100.205 -56.6038 487.087 GPRESSURE: 4194400 68.5939 -45.2817 -158.184 -62.6217 517.21 -52.1031 -50.8631 -96.8306 457.612 PRESSAVG: 4194400 -34.8221 12.6806 5.05367 12.6805 48.0462 -44.8709 5.05361 -44.8709 1.32599 GPRESSAVG: 4194400 -34.6426 11.6895 4.30594 11.1955 48.446 -45.2648 5.48821 -45.5209 0.327784 TIMING: 4194400 CPU: 13260.3, 0.00317871/step Wall: 13260.3, 0.00317871/step, 0.711325 hours remaining, 235.875000 MB of memory in use. ENERGY: 4194400 3896.5723 20557.9116 14523.9230 246.3173 -203280.2969 2797.2300 0.0000 0.0000 51936.5110 -109321.8317 298.4798 -161258.3427 -108971.9035 299.4404 325.6446 347.8052 761726.8585 4.8501 4.7104 PRESSURE: 4194600 -14.5237 186.114 259.768 186.115 66.2059 -92.9773 259.769 -92.9776 -44.4099 GPRESSURE: 4194600 44.5439 198.572 229.55 89.7161 78.2925 -149.542 278.066 -3.80143 -33.9784 PRESSAVG: 4194600 -39.434 6.98615 41.0761 6.98611 41.7178 1.192 41.0761 1.19197 -6.19124 GPRESSAVG: 4194600 -39.7305 6.76028 40.9144 8.09475 41.7193 2.06278 42.2656 1.9969 -5.5616 TIMING: 4194600 CPU: 13260.9, 0.00317192/step Wall: 13260.9, 0.00317192/step, 0.709629 hours remaining, 235.875000 MB of memory in use. ENERGY: 4194600 3985.5478 20525.5646 14546.3432 235.4870 -203305.8362 2625.3457 0.0000 0.0000 52185.1218 -109202.4261 299.9086 -161387.5479 -108838.6323 299.6884 2.4241 29.6193 761888.7559 -1.3025 -1.1909 PRESSURE: 4194800 226.803 -150.234 -178.354 -150.233 -86.9092 186.933 -178.354 186.933 209.558 GPRESSURE: 4194800 222.715 -249.541 -61.9826 -207.984 4.25026 133.453 -224.956 171.622 236.608 PRESSAVG: 4194800 -49.1268 -3.48175 54.0853 -3.48173 30.0712 -22.5213 54.0853 -22.5213 18.3385 GPRESSAVG: 4194800 -49.243 -0.549256 54.9462 -5.62612 30.4954 -23.6206 54.5283 -22.6824 18.1257 TIMING: 4194800 CPU: 13261.6, 0.00317712/step Wall: 13261.6, 0.00317712/step, 0.710616 hours remaining, 235.875000 MB of memory in use. ENERGY: 4194800 3963.7447 20429.1493 14479.9519 236.0824 -202926.7042 2445.1064 0.0000 0.0000 52220.1293 -109152.5401 300.1098 -161372.6694 -108798.9559 300.0220 116.4839 154.5245 761536.3549 -0.2390 -0.2073 PRESSURE: 4195000 -463.193 -158.523 -11.123 -158.524 -245.601 278.893 -11.1229 278.892 -327.252 GPRESSURE: 4195000 -390.708 -184.1 -32.8079 -97.6459 -259.474 228.68 -38.2253 204.664 -298.104 PRESSAVG: 4195000 -2.00864 -49.9709 42.1298 -49.9709 -31.0003 -23.7864 42.1298 -23.7864 -0.297742 GPRESSAVG: 4195000 -0.662745 -52.7512 41.4376 -47.2944 -31.1567 -24.2432 40.3703 -23.6439 -0.334151 TIMING: 4195000 CPU: 13262.2, 0.00319117/step Wall: 13262.2, 0.00319117/step, 0.713582 hours remaining, 235.875000 MB of memory in use. ENERGY: 4195000 4010.5627 20540.5539 14452.1208 280.0587 -203248.1800 2491.2814 0.0000 0.0000 52289.3773 -109184.2252 300.5078 -161473.6025 -108821.1586 300.3324 -345.3483 -316.0953 761486.5480 -11.1022 -10.7179 PRESSURE: 4195200 -20.2951 -72.3466 95.9622 -72.3467 -137.99 179.617 95.9619 179.617 -217.778 GPRESSURE: 4195200 24.5758 -97.6312 132.618 0.745532 -119.344 68.4679 144.903 321.415 -192.244 PRESSAVG: 4195200 20.1922 12.6075 -28.8674 12.6076 -22.4987 -27.5311 -28.8675 -27.5311 12.6452 GPRESSAVG: 4195200 19.2892 14.1851 -28.3856 10.4746 -21.871 -27.6138 -27.9134 -29.1596 12.942 TIMING: 4195200 CPU: 13262.8, 0.00321548/step Wall: 13262.8, 0.00321548/step, 0.718839 hours remaining, 235.875000 MB of memory in use. ENERGY: 4195200 4013.9081 20441.9286 14489.5687 238.3717 -203604.8461 2505.7113 0.0000 0.0000 52462.0980 -109453.2598 301.5004 -161915.3577 -109083.5479 299.7360 -125.3543 -95.6710 759698.2865 3.4462 3.4534 PRESSURE: 4195400 -34.892 -140.107 -269.289 -140.108 9.21442 104.638 -269.289 104.638 298.106 GPRESSURE: 4195400 38.0892 -170.518 -203.318 -207.562 65.9133 103.16 -381.897 35.8896 250.173 PRESSAVG: 4195400 -6.82262 -6.64756 -10.9231 -6.64756 24.7557 8.60436 -10.923 8.6044 -17.947 GPRESSAVG: 4195400 -6.35921 -6.87063 -10.4384 -5.00896 23.9 9.25201 -10.7264 11.8367 -17.8483 TIMING: 4195400 CPU: 13263.5, 0.00319138/step Wall: 13263.5, 0.00319138/step, 0.713273 hours remaining, 235.875000 MB of memory in use. ENERGY: 4195400 4049.3779 20524.6660 14414.1482 247.0037 -202989.8414 2177.2469 0.0000 0.0000 51989.0988 -109588.3000 298.7821 -161577.3988 -109236.8728 299.4056 90.8093 118.0584 758475.7054 -0.0046 -0.1025 PRESSURE: 4195600 -48.7843 190.54 15.6567 190.54 -19.014 267.251 15.6576 267.251 -196.248 GPRESSURE: 4195600 -37.8624 169.052 41.4933 84.8889 -20.4084 245.871 -76.3701 152.278 -105.912 PRESSAVG: 4195600 25.4715 -40.2634 30.8711 -40.2634 18.9343 32.1688 30.8711 32.1687 10.0308 GPRESSAVG: 4195600 24.7185 -39.4715 31.0688 -42.4724 19.1694 32.1393 30.2764 30.4611 10.211 TIMING: 4195600 CPU: 13264.1, 0.00318805/step Wall: 13264.1, 0.00318805/step, 0.712351 hours remaining, 235.875000 MB of memory in use. ENERGY: 4195600 4045.4145 20395.1502 14435.2852 253.7069 -203559.6492 2661.1535 0.0000 0.0000 52080.0821 -109688.8567 299.3049 -161768.9388 -109329.1725 298.7728 -88.0154 -54.7277 759923.6816 18.1455 18.0330 PRESSURE: 4195800 -11.6448 23.82 31.381 23.8197 -44.9037 -21.2234 31.3811 -21.2245 224.457 GPRESSURE: 4195800 93.391 48.0387 94.4281 50.4814 -30.423 -5.58076 23.2601 30.6008 178.003 PRESSAVG: 4195800 -8.08624 32.7212 -44.0882 32.7212 32.044 6.55459 -44.0882 6.55458 -8.04219 GPRESSAVG: 4195800 -8.04157 31.4732 -45.2048 33.6568 31.5965 6.56548 -42.8274 5.85327 -8.36307 TIMING: 4195800 CPU: 13264.7, 0.00318271/step Wall: 13264.7, 0.00318271/step, 0.710983 hours remaining, 235.875000 MB of memory in use. ENERGY: 4195800 4012.6602 20411.1117 14493.3832 258.2635 -203238.7511 2425.7375 0.0000 0.0000 51901.1359 -109736.4589 298.2765 -161637.5948 -109379.6090 298.7217 55.9696 80.3236 760040.0479 5.3052 5.0640 PRESSURE: 4196000 264.864 -47.5179 65.68 -47.5183 155.253 109.502 65.6801 109.502 -297.432 GPRESSURE: 4196000 259.159 -134.28 72.4098 -90.8539 189.835 137.165 97.2132 118.253 -237.388 PRESSAVG: 4196000 -13.8014 8.96944 26.2758 8.96939 6.48275 -54.4822 26.2758 -54.4823 -12.8629 GPRESSAVG: 4196000 -12.3986 7.38442 28.5114 9.20108 5.61774 -54.8729 23.2546 -52.6477 -13.1291 TIMING: 4196000 CPU: 13265.4, 0.00318573/step Wall: 13265.4, 0.00318573/step, 0.71148 hours remaining, 235.875000 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: 4196000 3995.7819 20373.1801 14453.9062 264.4735 -202942.1538 2487.8933 0.0000 0.0000 51686.5278 -109680.3909 297.0432 -161366.9187 -109324.7262 298.7524 40.8946 70.5354 761534.8189 -6.7272 -6.6367 PRESSURE: 4196200 195.07 -103.448 -36.2823 -103.449 -77.9036 41.4222 -36.2827 41.422 99.2217 GPRESSURE: 4196200 142.838 -71.462 -75.3096 -120.535 95.8369 -3.70794 -15.1941 54.636 72.5395 PRESSAVG: 4196200 17.5684 4.82648 27.6346 4.82646 -62.4579 7.84042 27.6346 7.84036 6.86408 GPRESSAVG: 4196200 15.584 7.84306 23.9349 3.99926 -61.2924 8.50539 31.5757 6.63796 7.52398 TIMING: 4196200 CPU: 13266, 0.00320178/step Wall: 13266, 0.00320178/step, 0.714886 hours remaining, 235.875000 MB of memory in use. ENERGY: 4196200 3987.5613 20332.0107 14408.7319 237.5192 -203358.8690 2629.7535 0.0000 0.0000 52095.2183 -109668.0741 299.3919 -161763.2924 -109308.5156 299.0708 72.1295 103.7381 759516.2109 -12.6751 -12.7281 LDB: ============= START OF LOAD BALANCING ============== 13278.6 LDB: ============== END OF LOAD BALANCING =============== 13278.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13278.6 LDB: ============= START OF LOAD BALANCING ============== 13278.9 LDB: Largest compute 7067 load 0.034715 is 17.7% of average load 0.195648 LDB: Average compute 0.004380 is 2.2% of average load 0.195648 LDB: TIME 13278.9 LOAD: AVG 0.195648 MAX 0.214125 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.668 MB LDB: TIME 13278.9 LOAD: AVG 0.195648 MAX 0.214125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: TIME 13278.9 LOAD: AVG 0.195648 MAX 0.214125 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: ============== END OF LOAD BALANCING =============== 13278.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13278.9 PRESSURE: 4196400 432.878 -109.357 25.8017 -109.356 126.726 19.404 25.8016 19.4039 247.64 GPRESSURE: 4196400 467.379 -96.0117 35.8068 -14.745 197.109 17.5807 -15.8096 -31.9033 239.724 PRESSAVG: 4196400 41.6488 -32.887 -17.3346 -32.887 4.09006 9.63439 -17.3345 9.6344 7.6058 GPRESSAVG: 4196400 41.5642 -32.9158 -15.3749 -33.7793 4.50308 8.79652 -20.0988 9.50027 7.1091 TIMING: 4196400 CPU: 13266.7, 0.00329087/step Wall: 13266.7, 0.00329087/step, 0.734596 hours remaining, 236.242188 MB of memory in use. ENERGY: 4196400 3986.2166 20445.9490 14463.4365 234.8165 -203644.6832 2577.1780 0.0000 0.0000 52068.3904 -109868.6961 299.2378 -161937.0865 -109514.4729 298.8598 269.0815 301.4039 759323.1860 17.7816 17.7255 PRESSURE: 4196600 -13.2417 -0.472792 58.3115 -0.472217 -259.062 25.5039 58.3119 25.5047 -11.4992 GPRESSURE: 4196600 26.5776 -83.3639 111.637 -93.1848 -223.063 -86.4338 133.697 -20.1964 14.2349 PRESSAVG: 4196600 100.222 -76.0084 10.3934 -76.0086 -56.8466 -11.0879 10.3934 -11.0879 -5.30516 GPRESSAVG: 4196600 101.215 -78.4095 10.0914 -75.1299 -57.9942 -12.1716 11.8902 -11.3016 -5.34721 TIMING: 4196600 CPU: 13267.3, 0.00321667/step Wall: 13267.3, 0.00321667/step, 0.717853 hours remaining, 236.425781 MB of memory in use. ENERGY: 4196600 4065.5873 20407.4943 14457.2672 250.4240 -203444.9420 2502.1646 0.0000 0.0000 52020.4242 -109741.5804 298.9621 -161762.0046 -109377.4990 298.6410 -94.6008 -60.7501 761397.1935 12.6902 12.6247 PRESSURE: 4196800 399.641 -129.14 78.3009 -129.141 -6.60042 -144.313 78.3006 -144.314 124.302 GPRESSURE: 4196800 390.627 -111.413 67.4794 -38.1657 46.458 -59.367 70.949 -9.073 167.766 PRESSAVG: 4196800 9.8756 14.1977 43.4444 14.1976 -21.8751 -11.9385 43.4444 -11.9385 -4.38673 GPRESSAVG: 4196800 9.36827 16.4369 45.6214 14.8298 -21.5513 -12.6471 40.008 -11.286 -3.58696 TIMING: 4196800 CPU: 13268, 0.00318643/step Wall: 13268, 0.00318643/step, 0.710927 hours remaining, 236.425781 MB of memory in use. ENERGY: 4196800 3992.9928 20467.3154 14474.4348 239.8491 -203716.8898 2676.9597 0.0000 0.0000 52047.6802 -109817.6578 299.1187 -161865.3380 -109456.6709 298.6799 172.4475 201.6168 760371.6346 -5.4621 -5.2567 PRESSURE: 4197000 -44.42 -119.283 172.399 -119.283 33.6374 28.9086 172.399 28.9086 -5.1517 GPRESSURE: 4197000 -78.5317 -62.8633 164.459 -204.444 58.1939 57.4126 28.1298 0.791929 76.8223 PRESSAVG: 4197000 8.56871 -11.4153 109.185 -11.4152 -27.3221 -41.9777 109.185 -41.9777 -4.11498 GPRESSAVG: 4197000 9.76339 -12.502 107.849 -13.7807 -27.4017 -39.6541 111.124 -43.915 -5.07398 TIMING: 4197000 CPU: 13268.6, 0.00319356/step Wall: 13268.6, 0.00319356/step, 0.712341 hours remaining, 236.425781 MB of memory in use. ENERGY: 4197000 3965.9720 20526.8526 14454.6287 258.8985 -203246.9318 2381.0024 0.0000 0.0000 51818.6137 -109840.9639 297.8023 -161659.5775 -109468.5801 298.1846 -5.3114 18.8282 760824.5206 -7.6228 -7.5708 PRESSURE: 4197200 14.7058 -40.6168 38.0198 -40.6175 314.588 -174.177 38.0196 -174.178 -82.7923 GPRESSURE: 4197200 4.22094 -58.6564 -4.1134 78.6629 364.941 -98.5382 136.486 -173.803 -51.393 PRESSAVG: 4197200 1.72013 61.8047 19.9851 61.8047 -7.05889 -17.736 19.9851 -17.736 0.736805 GPRESSAVG: 4197200 -0.0461034 61.7652 18.5943 63.2741 -6.87555 -18.625 18.5355 -15.8358 2.28611 TIMING: 4197200 CPU: 13269.2, 0.00318244/step Wall: 13269.2, 0.00318244/step, 0.709683 hours remaining, 236.425781 MB of memory in use. ENERGY: 4197200 3984.9675 20458.6022 14505.9405 236.7598 -203236.7873 2343.3992 0.0000 0.0000 51934.2563 -109772.8619 298.4669 -161707.1182 -109407.5999 298.8627 82.1670 105.9231 762075.9022 -1.5340 -1.5452 PRESSURE: 4197400 -225.442 60.1567 29.057 60.157 -20.8004 -48.8973 29.0574 -48.8969 -256.932 GPRESSURE: 4197400 -200.652 92.4237 89.7418 171.656 27.5161 -71.7656 -59.5623 -60.0036 -238.761 PRESSAVG: 4197400 -36.3089 34.54 22.229 34.54 33.1513 13.6995 22.229 13.6994 7.2502 GPRESSAVG: 4197400 -35.2267 35.1304 23.5263 36.3117 32.985 13.095 24.6614 13.4081 6.29563 TIMING: 4197400 CPU: 13269.9, 0.0031776/step Wall: 13269.9, 0.0031776/step, 0.708428 hours remaining, 236.425781 MB of memory in use. ENERGY: 4197400 3964.7116 20435.0490 14470.2179 259.0508 -203324.6111 2472.2337 0.0000 0.0000 51902.6379 -109820.7102 298.2852 -161723.3481 -109456.7254 298.3604 -167.7249 -137.2990 760991.9008 1.3642 1.3513 PRESSURE: 4197600 236.738 50.1112 343.046 50.1114 199.443 -108.832 343.046 -108.832 42.9094 GPRESSURE: 4197600 230.757 96.204 328.99 17.0358 222.137 -120.375 261.894 -22.0056 108.42 PRESSAVG: 4197600 -17.9785 -26.3905 24.6716 -26.3905 3.25558 15.1762 24.6717 15.1761 -10.6928 GPRESSAVG: 4197600 -18.7402 -27.1666 23.055 -27.948 3.4999 15.2098 24.8779 16.837 -10.4114 TIMING: 4197600 CPU: 13270.5, 0.00319391/step Wall: 13270.5, 0.00319391/step, 0.711886 hours remaining, 236.425781 MB of memory in use. ENERGY: 4197600 3912.8360 20326.5529 14416.3008 239.5824 -203143.4461 2400.7849 0.0000 0.0000 51951.0894 -109896.2996 298.5636 -161847.3890 -109537.6410 298.2466 159.6968 187.1044 760827.1614 -8.4719 -8.5506 PRESSURE: 4197800 -235.671 207.243 -330.294 207.243 -115.389 70.9966 -330.294 70.9975 168.473 GPRESSURE: 4197800 -181.496 64.0849 -220.646 99.0706 -23.393 39.0088 -325.391 -14.0629 123.424 PRESSAVG: 4197800 -86.9315 27.1058 25.55 27.1058 107.873 33.1212 25.55 33.1212 6.87912 GPRESSAVG: 4197800 -87.9693 28.0678 26.6833 25.8709 107.722 33.2137 24.7762 31.5005 7.48286 TIMING: 4197800 CPU: 13271.2, 0.00318262/step Wall: 13271.2, 0.00318262/step, 0.709194 hours remaining, 236.425781 MB of memory in use. ENERGY: 4197800 3975.5935 20453.8271 14540.4967 255.1333 -203536.9485 2598.0403 0.0000 0.0000 51862.5655 -109851.2921 298.0549 -161713.8576 -109486.6606 298.2365 -60.8623 -27.1550 760739.1380 9.2736 9.0786 PRESSURE: 4198000 117.983 40.7173 -202.196 40.7177 5.26297 148.509 -202.197 148.507 -175.084 GPRESSURE: 4198000 99.4315 81.1479 -182.765 86.0553 145.173 143.365 -35.5231 -66.1743 -191.82 PRESSAVG: 4198000 27.0944 8.79932 -42.9677 8.79937 20.4385 40.3937 -42.9677 40.3936 0.114613 GPRESSAVG: 4198000 28.9914 10.9494 -43.6429 9.01512 18.5194 41.0612 -42.9503 39.6952 -0.540102 TIMING: 4198000 CPU: 13271.8, 0.00318792/step Wall: 13271.8, 0.00318792/step, 0.710197 hours remaining, 236.425781 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: 4198000 3879.0377 20449.3423 14488.0350 233.0425 -203332.3690 2625.7790 0.0000 0.0000 51789.7700 -109867.3624 297.6365 -161657.1324 -109520.6695 298.3781 -17.2792 17.5950 761927.5339 15.8825 15.6569 PRESSURE: 4198200 -240.313 3.11202 216.71 3.11205 139.934 45.2236 216.71 45.224 -276.093 GPRESSURE: 4198200 -130.825 50.7727 262.017 -62.9884 54.5155 43.4504 215.598 51.5495 -217.444 PRESSAVG: 4198200 -21.8234 -19.9061 -36.7624 -19.906 -23.7632 25.5384 -36.7624 25.5384 6.56767 GPRESSAVG: 4198200 -22.5932 -22.0013 -35.5866 -21.4777 -21.9178 24.1153 -35.9734 25.638 5.92567 TIMING: 4198200 CPU: 13272.4, 0.00319242/step Wall: 13272.4, 0.00319242/step, 0.711023 hours remaining, 236.425781 MB of memory in use. ENERGY: 4198200 3963.1013 20473.7630 14434.4761 252.1222 -203191.7313 2285.5157 0.0000 0.0000 51981.8214 -109800.9318 298.7402 -161782.7531 -109455.1966 298.4795 -125.4908 -97.9178 759020.7428 -13.0063 -12.8618 PRESSURE: 4198400 -3.15973 -61.6076 -91.5206 -61.6082 73.4188 -46.7844 -91.5212 -46.785 -536.541 GPRESSURE: 4198400 38.8021 -58.5317 -52.9971 -179.377 42.3468 -35.5155 -213.169 -37.0338 -469.994 PRESSAVG: 4198400 0.826346 -1.98342 -27.0932 -1.98335 8.37729 -32.847 -27.0932 -32.8471 16.1929 GPRESSAVG: 4198400 0.293229 -3.66154 -27.9479 0.765593 8.88125 -32.4613 -27.6864 -31.166 15.7294 TIMING: 4198400 CPU: 13273.1, 0.00319054/step Wall: 13273.1, 0.00319054/step, 0.710426 hours remaining, 236.425781 MB of memory in use. ENERGY: 4198400 3967.1011 20450.4077 14480.7462 243.4889 -203205.8516 2348.0017 0.0000 0.0000 51856.0994 -109860.0066 298.0177 -161716.1060 -109497.7800 298.5814 -155.4273 -129.6151 760202.9488 8.4655 8.3013 PRESSURE: 4198600 98.5794 126.396 208.088 126.396 -89.6933 -16.4031 208.089 -16.4029 144.751 GPRESSURE: 4198600 107.807 102.977 224.586 32.1735 -43.6751 9.99558 159.435 -14.0062 179.055 PRESSAVG: 4198600 55.0946 37.2931 30.0749 37.2931 -25.4336 12.1018 30.0749 12.1019 4.4238 GPRESSAVG: 4198600 54.8458 37.3567 29.6275 36.4108 -25.2112 12.1346 30.1389 9.18661 4.71095 TIMING: 4198600 CPU: 13273.7, 0.0031873/step Wall: 13273.7, 0.0031873/step, 0.709529 hours remaining, 236.425781 MB of memory in use. ENERGY: 4198600 3983.4317 20505.1254 14531.5361 255.5068 -203152.9127 2319.6016 0.0000 0.0000 51821.4315 -109736.2795 297.8185 -161557.7111 -109367.6267 298.5861 51.2124 81.0625 760702.5898 11.3616 11.4485 PRESSURE: 4198800 250.258 235.68 117.367 235.68 144.931 7.42496 117.367 7.42573 -220.796 GPRESSURE: 4198800 300.398 163.436 63.7607 355.513 116.453 16.5458 67.3499 73.2093 -152.02 PRESSAVG: 4198800 -6.90441 -12.2925 -14.7929 -12.2925 2.59314 49.8043 -14.793 49.8043 -9.51226 GPRESSAVG: 4198800 -5.64583 -11.0918 -14.8886 -11.2974 1.47746 49.3894 -14.7725 54.3871 -10.0685 TIMING: 4198800 CPU: 13274.3, 0.00317903/step Wall: 13274.3, 0.00317903/step, 0.707511 hours remaining, 236.425781 MB of memory in use. ENERGY: 4198800 3915.9055 20464.7282 14438.5629 257.5531 -203373.3590 2548.2449 0.0000 0.0000 52056.1953 -109692.1692 299.1677 -161748.3645 -109319.2579 298.8373 58.1310 88.2769 761088.2848 -4.6078 -4.7456 PRESSURE: 4199000 114.05 282.3 -210.233 282.3 -9.18731 39.154 -210.234 39.1541 -191.391 GPRESSURE: 4199000 138.775 78.6331 -177.285 248.379 35.154 4.08328 -66.2169 69.2475 -167.603 PRESSAVG: 4199000 -4.59704 43.1947 -4.40033 43.1947 -20.4435 0.222889 -4.40035 0.222895 40.3275 GPRESSAVG: 4199000 -4.92918 43.2085 -3.99587 43.2758 -20.1201 -0.362723 -4.90598 0.157394 41.106 TIMING: 4199000 CPU: 13275, 0.00318352/step Wall: 13275, 0.00318352/step, 0.708332 hours remaining, 236.550781 MB of memory in use. ENERGY: 4199000 3968.5868 20534.6683 14511.8579 250.9742 -203874.3440 2788.5315 0.0000 0.0000 51867.7088 -109952.0165 298.0844 -161819.7253 -109593.4745 298.7422 -28.8427 2.1087 759645.6968 5.0956 5.3523 PRESSURE: 4199200 -38.3536 -189.788 52.7843 -189.788 99.659 139.287 52.7839 139.287 -45.1639 GPRESSURE: 4199200 -28.4854 -161.669 -1.45749 -200.945 194.765 165.783 -27.9342 30.1702 -60.9346 PRESSAVG: 4199200 -53.7011 -40.5829 -20.1314 -40.5829 50.5807 5.87592 -20.1314 5.87594 13.1057 GPRESSAVG: 4199200 -53.9091 -39.7831 -19.2205 -41.4591 51.2844 8.33852 -20.1549 4.27592 12.5751 TIMING: 4199200 CPU: 13275.6, 0.00317893/step Wall: 13275.6, 0.00317893/step, 0.707135 hours remaining, 236.550781 MB of memory in use. ENERGY: 4199200 3965.0134 20454.4420 14419.5527 266.6691 -203256.1325 2448.4330 0.0000 0.0000 51860.7507 -109841.2717 298.0444 -161702.0224 -109482.3728 298.6013 5.3805 35.1151 760767.2277 3.3284 3.3168 PRESSURE: 4199400 -161.618 -146.229 37.2641 -146.229 -432.188 36.0933 37.264 36.0939 -148.968 GPRESSURE: 4199400 -93.3818 -103.723 -7.09401 -211.375 -429.846 -1.78936 71.3601 48.5308 -169.324 PRESSAVG: 4199400 -15.1583 26.8321 -5.85131 26.8322 55.1126 6.53312 -5.85125 6.53317 -7.70497 GPRESSAVG: 4199400 -13.9961 24.5378 -8.58178 28.2322 54.257 5.7536 -4.56766 5.19972 -7.82859 TIMING: 4199400 CPU: 13276.3, 0.00321527/step Wall: 13276.3, 0.00321527/step, 0.715041 hours remaining, 236.550781 MB of memory in use. ENERGY: 4199400 4041.3106 20553.6141 14356.7929 263.1402 -203632.8222 2534.2899 0.0000 0.0000 51916.6778 -109966.9968 298.3659 -161883.6745 -109610.9784 298.3778 -247.5913 -230.8506 760484.7008 10.7498 10.8108 PRESSURE: 4199600 29.862 35.951 5.45263 35.9505 340.267 -348.291 5.45224 -348.292 94.5659 GPRESSURE: 4199600 79.6356 17.295 0.874333 47.2205 323.017 -420.61 16.8982 -166.37 124.687 PRESSAVG: 4199600 -3.21022 -24.1418 -5.77162 -24.1419 -29.9935 -2.84045 -5.77162 -2.84044 4.81491 GPRESSAVG: 4199600 -4.33472 -21.7551 -3.25282 -25.7763 -30.8735 -2.5033 -6.87922 0.104917 6.68087 TIMING: 4199600 CPU: 13276.9, 0.00321698/step Wall: 13276.9, 0.00321698/step, 0.715242 hours remaining, 236.550781 MB of memory in use. ENERGY: 4199600 3988.0279 20519.4516 14461.7501 236.7641 -203682.2858 2636.8264 0.0000 0.0000 51957.4037 -109882.0618 298.5999 -161839.4655 -109525.4933 298.7886 154.8983 175.7800 759800.3989 -9.4629 -9.5091 PRESSURE: 4199800 -182.823 230.846 -168.487 230.847 45.6918 -159.689 -168.487 -159.689 -55.2324 GPRESSURE: 4199800 -95.1674 226.364 -98.2537 196.406 56.7119 -38.3705 -208.184 -263.658 -73.8535 PRESSAVG: 4199800 -84.6686 75.0027 -59.0846 75.0027 65.4327 6.51867 -59.0847 6.51864 9.04091 GPRESSAVG: 4199800 -84.7634 72.47 -59.5866 77.387 65.9284 7.6243 -60.1986 4.5737 8.13695 TIMING: 4199800 CPU: 13277.5, 0.00322161/step Wall: 13277.5, 0.00322161/step, 0.716092 hours remaining, 236.550781 MB of memory in use. ENERGY: 4199800 3972.5678 20486.2305 14535.5684 232.5573 -203580.7251 2586.3068 0.0000 0.0000 51835.5038 -109931.9904 297.8994 -161767.4943 -109569.4124 298.4570 -64.1212 -37.4363 759096.0441 -3.3983 -3.5660 PRESSURE: 4200000 -92.8924 -12.4283 47.936 -12.4289 -86.6878 -169.208 47.936 -169.208 502.005 GPRESSURE: 4200000 29.7408 42.2465 62.2247 35.5358 -78.8694 -192.413 12.2669 -90.8974 477.292 PRESSAVG: 4200000 -25.6527 -15.3364 29.9862 -15.3363 25.2919 33.3282 29.9862 33.3283 23.9981 GPRESSAVG: 4200000 -24.8832 -15.4369 31.0299 -13.0259 23.8892 31.4224 31.545 33.2331 24.7795 TIMING: 4200000 CPU: 13278.2, 0.00320606/step Wall: 13278.2, 0.00320606/step, 0.712457 hours remaining, 236.550781 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: 4200000 3918.7158 20540.5740 14489.7520 236.4777 -203609.7035 2364.6301 0.0000 0.0000 52165.9336 -109893.6203 299.7983 -162059.5539 -109532.1873 298.5912 107.4750 142.7212 758561.6826 7.8791 7.9285 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 116.426 -21.2738 518.461 -21.2732 -176.238 236.619 518.461 236.619 11.7156 GPRESSURE: 4200200 27.2564 61.2275 470.062 -29.1768 -67.7555 266.384 277.526 182.774 77.7493 PRESSAVG: 4200200 7.07793 23.89 -20.2684 23.8901 34.8389 -5.69144 -20.2684 -5.69137 -7.05913 GPRESSAVG: 4200200 6.52354 26.7772 -20.5751 21.0665 36.0692 -3.78491 -21.5506 -5.3448 -7.2229 TIMING: 4200200 CPU: 13278.8, 0.00330389/step Wall: 13278.8, 0.00330389/step, 0.734014 hours remaining, 236.550781 MB of memory in use. ENERGY: 4200200 3996.9050 20668.6879 14464.9319 237.9978 -203336.7426 2320.5286 0.0000 0.0000 51860.0400 -109787.6514 298.0404 -161647.6914 -109425.5773 298.8958 -16.0321 12.4167 759761.1112 11.6192 11.7899 LDB: ============= START OF LOAD BALANCING ============== 13291.4 LDB: ============== END OF LOAD BALANCING =============== 13291.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13291.4 LDB: ============= START OF LOAD BALANCING ============== 13291.7 LDB: Largest compute 7076 load 0.033286 is 17.0% of average load 0.195622 LDB: Average compute 0.004378 is 2.2% of average load 0.195622 LDB: TIME 13291.7 LOAD: AVG 0.195622 MAX 0.214497 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.539 MB LDB: TIME 13291.7 LOAD: AVG 0.195622 MAX 0.214497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.613 MB LDB: TIME 13291.7 LOAD: AVG 0.195622 MAX 0.214497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.613 MB LDB: ============== END OF LOAD BALANCING =============== 13291.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13291.7 PRESSURE: 4200400 -28.2632 -86.0676 -137.477 -86.0677 294.384 -40.7572 -137.478 -40.7574 118.65 GPRESSURE: 4200400 -7.76494 -50.114 -134.777 -65.0371 285.985 -59.3923 -110.179 -41.4533 192.216 PRESSAVG: 4200400 -37.9089 4.1224 29.8228 4.12241 72.8838 51.0551 29.8228 51.0551 -7.97292 GPRESSAVG: 4200400 -37.6512 4.77527 29.5526 2.78075 72.9008 49.9677 29.4049 49.4605 -8.30226 TIMING: 4200400 CPU: 13279.5, 0.00325987/step Wall: 13279.5, 0.00325987/step, 0.724054 hours remaining, 235.269531 MB of memory in use. ENERGY: 4200400 3969.3048 20649.4143 14489.5405 257.5113 -203603.2803 2260.2659 0.0000 0.0000 52392.2173 -109585.0261 301.0988 -161977.2434 -109230.9155 299.1529 128.2571 156.8118 758981.4485 9.0007 8.9825 PRESSURE: 4200600 -243.994 103.68 -50.0505 103.681 -89.871 -75.1437 -50.0503 -75.1438 39.43 GPRESSURE: 4200600 -208.478 -4.76174 0.285246 -18.2505 -33.7543 -56.4607 -90.5255 -88.295 22.0325 PRESSAVG: 4200600 -38.4546 6.99763 22.9356 6.99757 31.2808 -22.3556 22.9357 -22.3556 18.0385 GPRESSAVG: 4200600 -38.4884 5.22742 23.1579 8.03185 30.3352 -21.0846 24.0896 -22.2264 18.7786 TIMING: 4200600 CPU: 13280.1, 0.00318663/step Wall: 13280.1, 0.00318663/step, 0.707608 hours remaining, 235.453125 MB of memory in use. ENERGY: 4200600 4041.3333 20461.7260 14425.6689 250.7378 -203171.0252 2444.3937 0.0000 0.0000 51956.2426 -109590.9230 298.5932 -161547.1655 -109219.2819 299.2368 -98.1451 -73.4001 761701.7571 3.6215 3.5418 PRESSURE: 4200800 347.109 18.6231 -176.42 18.6233 235.98 111.046 -176.42 111.047 -229.607 GPRESSURE: 4200800 401.647 -102.296 -161.203 -13.314 231.782 96.6345 -121.813 117.741 -175.394 PRESSAVG: 4200800 1.10365 36.0717 -24.6042 36.0717 -12.0098 25.2416 -24.6043 25.2416 13.2711 GPRESSAVG: 4200800 0.937863 39.3106 -24.643 33.8244 -10.7408 25.4459 -24.4736 25.3876 12.4104 TIMING: 4200800 CPU: 13280.8, 0.00318482/step Wall: 13280.8, 0.00318482/step, 0.70703 hours remaining, 235.453125 MB of memory in use. ENERGY: 4200800 3998.3960 20461.2725 14404.4269 234.4132 -203213.4276 2543.8295 0.0000 0.0000 52061.4536 -109509.6358 299.1979 -161571.0895 -109133.4756 299.3392 117.8272 152.6782 760633.5974 0.7883 0.8691 PRESSURE: 4201000 -35.3068 -27.0244 -164.486 -27.0241 -42.6905 58.9802 -164.486 58.9807 113.013 GPRESSURE: 4201000 -29.7868 -33.2608 -30.3604 -16.4071 34.2022 137.377 -169.721 -59.5253 98.2237 PRESSAVG: 4201000 -7.9224 -1.87058 -34.6945 -1.87056 -12.3044 40.5083 -34.6944 40.5082 5.33011 GPRESSAVG: 4201000 -7.6742 -3.08453 -33.2524 -0.812112 -11.9863 38.5663 -34.2378 42.5624 5.24149 TIMING: 4201000 CPU: 13281.4, 0.00319474/step Wall: 13281.4, 0.00319474/step, 0.709055 hours remaining, 235.453125 MB of memory in use. ENERGY: 4201000 3919.4488 20522.2544 14480.6036 248.0984 -203453.9883 2630.1852 0.0000 0.0000 52111.6902 -109541.7077 299.4866 -161653.3980 -109166.7520 299.4906 11.6718 34.2130 760131.4252 -4.9656 -4.8063 PRESSURE: 4201200 -186.309 -88.5132 -53.2376 -88.5132 -79.4303 210.417 -53.2386 210.418 106.69 GPRESSURE: 4201200 -88.9311 -90.2644 8.37313 -129.2 -126.93 227.546 -57.4812 198.028 143.675 PRESSAVG: 4201200 -6.96999 -19.064 5.23175 -19.0641 41.3201 27.0018 5.23161 27.0018 -10.1151 GPRESSAVG: 4201200 -6.14485 -19.6924 2.863 -19.3417 41.4505 28.4252 3.24403 27.0425 -10.9154 TIMING: 4201200 CPU: 13282, 0.00319217/step Wall: 13282, 0.00319217/step, 0.708308 hours remaining, 235.453125 MB of memory in use. ENERGY: 4201200 3995.8965 20500.4336 14501.6515 251.4909 -203340.0012 2639.0231 0.0000 0.0000 52331.0939 -109120.4118 300.7475 -161451.5057 -108761.4599 299.6762 -53.0164 -24.0619 762012.1341 8.0783 8.1301 PRESSURE: 4201400 -120.52 -131.804 149.927 -131.804 -161.684 342.919 149.926 342.919 266.768 GPRESSURE: 4201400 -49.1254 -118.177 217.294 -200.36 -98.2588 316.346 89.9005 270.871 238.637 PRESSAVG: 4201400 -64.3425 11.2084 -0.618059 11.2084 43.178 49.3319 -0.618062 49.3319 9.26633 GPRESSAVG: 4201400 -63.4992 11.4352 1.8961 12.1268 41.7251 48.7427 0.596554 47.0722 9.55793 TIMING: 4201400 CPU: 13282.7, 0.00316963/step Wall: 13282.7, 0.00316963/step, 0.703129 hours remaining, 235.453125 MB of memory in use. ENERGY: 4201400 4004.0675 20575.8574 14506.4820 251.0838 -203207.9033 2639.0642 0.0000 0.0000 52037.5200 -109193.8283 299.0603 -161231.3483 -108835.6341 299.7470 -5.1453 30.4176 761281.0919 -3.9660 -4.0721 PRESSURE: 4201600 -63.3049 107.582 171.184 107.582 -155.799 23.5659 171.184 23.5659 -142.949 GPRESSURE: 4201600 11.7988 -41.2809 254.359 11.483 -147.636 24.4249 124.431 -0.915748 -131.404 PRESSAVG: 4201600 -41.9868 -10.7262 4.97809 -10.7261 30.9168 58.5645 4.97812 58.5645 12.8242 GPRESSAVG: 4201600 -43.7689 -12.2605 5.2053 -11.3825 32.6307 58.5214 4.47805 60.3664 12.7603 TIMING: 4201600 CPU: 13283.3, 0.00317803/step Wall: 13283.3, 0.00317803/step, 0.704816 hours remaining, 235.453125 MB of memory in use. ENERGY: 4201600 3981.8365 20612.3914 14479.0942 239.0219 -202976.4249 2422.9469 0.0000 0.0000 52194.6656 -109046.4685 299.9635 -161241.1340 -108679.2814 300.1193 -120.6843 -89.0805 761038.1378 0.5848 0.5407 PRESSURE: 4201800 -25.4784 -25.9699 -146.086 -25.9702 143.734 -173 -146.086 -172.999 60.8161 GPRESSURE: 4201800 63.7727 56.3146 -148.032 -34.0931 82.8667 -235.982 4.30141 -134.866 113.056 PRESSAVG: 4201800 17.9873 -10.734 -43.2118 -10.7341 26.612 21.2552 -43.2118 21.2552 -15.9685 GPRESSAVG: 4201800 19.3256 -9.408 -44.2319 -9.68228 25.7454 21.0719 -42.096 20.1936 -16.3754 TIMING: 4201800 CPU: 13284, 0.00317498/step Wall: 13284, 0.00317498/step, 0.703963 hours remaining, 235.453125 MB of memory in use. ENERGY: 4201800 3961.6039 20766.1639 14518.7838 267.7453 -202933.7946 2338.8083 0.0000 0.0000 52179.5417 -108901.1478 299.8765 -161080.6895 -108539.3885 300.6008 59.6905 86.5653 761791.1727 9.5436 9.5652 PRESSURE: 4202000 -350.54 75.6875 -140.299 75.6868 21.1584 36.4425 -140.298 36.4414 -174.735 GPRESSURE: 4202000 -265.215 10.0395 5.44075 7.82079 54.8328 -31.2009 -59.3104 -69.6139 -220.644 PRESSAVG: 4202000 0.187306 -8.88437 22.7026 -8.88447 47.1169 30.2741 22.7026 30.274 -5.59239 GPRESSAVG: 4202000 -0.943865 -9.10051 23.5616 -8.317 48.3937 30.7897 22.4322 30.8066 -5.36865 TIMING: 4202000 CPU: 13284.6, 0.00317426/step Wall: 13284.6, 0.00317426/step, 0.703628 hours remaining, 235.453125 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: 4202000 4016.4754 20746.6017 14536.3625 231.0530 -203218.2660 2447.5552 0.0000 0.0000 52289.5758 -108950.6424 300.5089 -161240.2182 -108587.0510 300.6070 -168.0390 -143.6754 761336.0204 13.9040 14.0271 PRESSURE: 4202200 -169.554 -115.425 197.71 -115.425 -202.723 141.331 197.709 141.332 4.57076 GPRESSURE: 4202200 -84.022 -130.273 155.398 -171.431 -265.812 56.7733 127.094 234.838 74.7281 PRESSAVG: 4202200 -20.8785 -31.8699 -44.3428 -31.8698 4.63226 17.2039 -44.3428 17.2039 8.93252 GPRESSAVG: 4202200 -21.7277 -31.9935 -45.031 -33.0008 3.75704 15.8847 -44.5484 15.2457 10.2658 TIMING: 4202200 CPU: 13285.2, 0.00317294/step Wall: 13285.2, 0.00317294/step, 0.703159 hours remaining, 235.453125 MB of memory in use. ENERGY: 4202200 4003.1784 20594.9607 14560.9937 252.3648 -203294.9937 2329.6232 0.0000 0.0000 52571.0086 -108982.8644 302.1263 -161553.8729 -108609.7624 300.7427 -122.5686 -91.7019 760542.7590 -2.4379 -2.5683 PRESSURE: 4202400 -108.329 -217.586 -91.1748 -217.586 -214.884 -197.517 -91.1749 -197.518 -133.226 GPRESSURE: 4202400 -95.4602 -123.778 -64.3707 -224.273 -143.078 -53.9041 -104.684 -254.912 -125.557 PRESSAVG: 4202400 -62.8935 -3.15617 5.02811 -3.15618 73.0829 -35.7612 5.02811 -35.7613 -4.78276 GPRESSAVG: 4202400 -62.0421 -4.80019 6.86537 -1.2573 74.256 -34.704 3.23294 -33.5145 -5.83382 TIMING: 4202400 CPU: 13285.9, 0.00318407/step Wall: 13285.9, 0.00318407/step, 0.705448 hours remaining, 235.453125 MB of memory in use. ENERGY: 4202400 3985.2511 20905.1933 14510.6476 254.2295 -202992.5103 2261.7234 0.0000 0.0000 52321.1648 -108754.3007 300.6905 -161075.4654 -108397.9846 300.8582 -152.1465 -121.3653 760299.7151 1.8022 2.1267 PRESSURE: 4202600 165.787 -196.34 140.088 -196.339 -124.621 114.159 140.087 114.16 -349.577 GPRESSURE: 4202600 128.03 -126.503 159.289 -301.033 -62.8919 118.612 155.183 110.433 -279.647 PRESSAVG: 4202600 14.7201 -83.5828 32.5858 -83.5829 2.91407 8.87509 32.5859 8.87504 19.6213 GPRESSAVG: 4202600 15.038 -81.1971 30.7799 -84.5714 3.59059 8.42448 33.5975 9.5189 18.6052 TIMING: 4202600 CPU: 13286.5, 0.00318943/step Wall: 13286.5, 0.00318943/step, 0.706459 hours remaining, 235.453125 MB of memory in use. ENERGY: 4202600 3992.7969 20625.9195 14476.8852 268.8498 -202946.9387 2225.3531 0.0000 0.0000 52516.3386 -108840.7957 301.8121 -161357.1343 -108473.8775 301.0895 -102.8035 -71.5028 760105.3460 12.4185 12.4113 PRESSURE: 4202800 -113.168 72.1904 -64.0155 72.1906 128.9 -39.5202 -64.015 -39.5194 65.0962 GPRESSURE: 4202800 -59.9136 9.796 -22.1498 -132.685 151.777 -100.566 36.471 -90.0111 97.0022 PRESSAVG: 4202800 -7.52448 -1.594 52.22 -1.59402 16.8231 35.8683 52.22 35.8683 11.0912 GPRESSAVG: 4202800 -8.56615 -4.05725 51.8014 -1.67047 17.3204 37.2439 54.2535 35.041 12.225 TIMING: 4202800 CPU: 13287.1, 0.00319242/step Wall: 13287.1, 0.00319242/step, 0.706944 hours remaining, 235.453125 MB of memory in use. ENERGY: 4202800 4013.7371 20645.8810 14468.0069 244.8371 -203554.8289 2917.6923 0.0000 0.0000 52405.7592 -108858.9153 301.1766 -161264.6745 -108490.1272 300.8592 26.9428 62.9551 761714.7415 6.7966 6.9931 PRESSURE: 4203000 137.372 -58.069 -77.3712 -58.0693 107.226 100.905 -77.3715 100.905 482.231 GPRESSURE: 4203000 262.485 0.270574 -77.9763 -6.96584 110.075 139.205 -233.929 43.0967 447.632 PRESSAVG: 4203000 -8.14967 24.4809 8.89112 24.4809 17.2179 0.193113 8.8911 0.193044 20.4781 GPRESSAVG: 4203000 -7.60176 27.2377 9.21737 22.8514 15.8423 0.0297173 8.67567 -0.133984 20.3127 TIMING: 4203000 CPU: 13287.8, 0.00315932/step Wall: 13287.8, 0.00315932/step, 0.699438 hours remaining, 235.453125 MB of memory in use. ENERGY: 4203000 4010.6262 20604.8801 14435.1442 247.4351 -203570.8359 2847.9946 0.0000 0.0000 52394.4321 -109030.3236 301.1115 -161424.7557 -108664.4848 300.5135 242.2760 273.3977 761946.6347 9.8488 9.5177 PRESSURE: 4203200 -4.03114 -69.8913 49.3022 -69.8917 168.851 -155.479 49.3024 -155.478 -91.4221 GPRESSURE: 4203200 93.6543 -181.314 44.0938 -38.0516 104.938 -181.597 54.4375 -166.317 -47.2189 PRESSAVG: 4203200 -15.7232 -17.8575 -0.666898 -17.8576 29.26 -14.1087 -0.666943 -14.1087 -23.7357 GPRESSAVG: 4203200 -14.796 -19.4865 0.0901752 -15.8046 27.0404 -15.6113 -1.20297 -14.2185 -23.0055 TIMING: 4203200 CPU: 13288.4, 0.00315794/step Wall: 13288.4, 0.00315794/step, 0.698956 hours remaining, 235.453125 MB of memory in use. ENERGY: 4203200 4033.2127 20670.2933 14491.5895 279.9971 -203403.0291 2867.2610 0.0000 0.0000 52060.3755 -109000.3001 299.1917 -161060.6756 -108636.3905 299.9356 24.4660 50.4579 762585.2220 -3.3996 -3.5870 PRESSURE: 4203400 -7.19788 -65.6149 66.7598 -65.6147 303.287 -40.8801 66.7595 -40.8808 -101.243 GPRESSURE: 4203400 -27.4207 -113.776 -8.28957 -51.0438 359.231 -40.7574 105.223 -49.3824 -61.9513 PRESSAVG: 4203400 -62.6664 -6.39725 -1.53154 -6.39724 101.94 -4.49238 -1.53154 -4.49231 17.5244 GPRESSAVG: 4203400 -63.4367 -6.39204 -1.59042 -6.6715 103.622 -3.13765 -1.23203 -6.31713 16.4871 TIMING: 4203400 CPU: 13289, 0.00317152/step Wall: 13289, 0.00317152/step, 0.701787 hours remaining, 235.453125 MB of memory in use. ENERGY: 4203400 3928.4100 20590.1381 14492.0156 246.8209 -203600.5135 2946.6875 0.0000 0.0000 52152.4243 -109244.0171 299.7207 -161396.4413 -108895.1310 299.9449 64.9490 89.9529 761868.3393 18.9327 18.8909 PRESSURE: 4203600 -79.7319 -31.1478 223.034 -31.147 -206.48 32.352 223.034 32.3521 -153.826 GPRESSURE: 4203600 -78.5005 4.10695 181.131 19.5699 -135.869 70.6489 266.703 -45.8561 -136.857 PRESSAVG: 4203600 -18.8499 30.9862 19.5563 30.9863 -25.2862 -1.31073 19.5562 -1.31071 -16.552 GPRESSAVG: 4203600 -19.6624 29.2813 18.052 30.3251 -24.9093 -1.97966 17.6091 -2.76595 -16.4028 TIMING: 4203600 CPU: 13289.7, 0.00317726/step Wall: 13289.7, 0.00317726/step, 0.702881 hours remaining, 235.453125 MB of memory in use. ENERGY: 4203600 4054.4490 20485.8653 14466.4470 270.8177 -203102.1529 2427.2825 0.0000 0.0000 52250.9844 -109146.3070 300.2871 -161397.2914 -108774.9060 299.8127 -146.6794 -117.0755 763424.2795 -20.2294 -20.3248 PRESSURE: 4203800 -8.44507 104.071 41.7699 104.071 -83.2903 137.666 41.7697 137.665 98.2368 GPRESSURE: 4203800 48.8086 104.687 62.6765 129.127 -89.1671 87.3756 86.0825 54.0533 115.443 PRESSAVG: 4203800 -20.5209 -13.5666 23.7819 -13.5665 5.61539 -22.9556 23.7819 -22.9556 -12.522 GPRESSAVG: 4203800 -19.4705 -9.95916 25.9933 -14.2604 4.52928 -23.4536 23.8369 -19.9502 -12.806 TIMING: 4203800 CPU: 13290.3, 0.00318161/step Wall: 13290.3, 0.00318161/step, 0.703665 hours remaining, 235.453125 MB of memory in use. ENERGY: 4203800 4132.4126 20453.3234 14471.3678 261.0141 -203113.0263 2571.9662 0.0000 0.0000 52083.6524 -109139.2898 299.3255 -161222.9422 -108779.4920 299.6602 2.1671 25.0281 762159.1721 -9.1425 -9.2491 PRESSURE: 4204000 -631.764 150.722 -198.941 150.723 9.50139 -188.312 -198.941 -188.311 327.296 GPRESSURE: 4204000 -485.715 137.157 -212.742 156.349 -95.7925 -124.09 -110.082 -101.787 372.221 PRESSAVG: 4204000 -7.36588 46.649 69.6043 46.649 21.605 22.933 69.6043 22.933 13.5064 GPRESSAVG: 4204000 -7.3188 44.8363 68.3232 48.7745 20.9653 23.0957 69.7394 25.0236 14.2505 TIMING: 4204000 CPU: 13290.9, 0.00318309/step Wall: 13290.9, 0.00318309/step, 0.703817 hours remaining, 235.453125 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: 4204000 4029.3849 20604.3865 14468.5031 254.6290 -203277.9185 2581.0083 0.0000 0.0000 52245.2200 -109094.7867 300.2540 -161340.0067 -108745.0919 300.0005 -98.3222 -69.7619 761026.3910 9.2485 9.2990 PRESSURE: 4204200 -141.616 72.8814 2.2989 72.8817 -164.656 60.7814 2.29903 60.7811 -141.961 GPRESSURE: 4204200 -81.067 129.869 62.4794 113.114 -181.964 53.0069 71.1471 -8.98064 -99.248 PRESSAVG: 4204200 -31.8308 3.58856 5.86519 3.58859 24.312 -31.3292 5.86512 -31.3292 13.8802 GPRESSAVG: 4204200 -30.2993 3.00709 5.44687 2.79543 24.5247 -30.986 6.73124 -34.2624 12.2331 TIMING: 4204200 CPU: 13291.6, 0.00316613/step Wall: 13291.6, 0.00316613/step, 0.699891 hours remaining, 235.453125 MB of memory in use. ENERGY: 4204200 4046.6042 20583.1512 14462.2651 231.4472 -203302.1682 2672.9233 0.0000 0.0000 52165.5167 -109140.2605 299.7959 -161305.7772 -108777.7347 299.5190 -149.4111 -120.7596 761508.7845 2.1204 2.1529 LDB: ============= START OF LOAD BALANCING ============== 13304.1 LDB: ============== END OF LOAD BALANCING =============== 13304.1 LDB: =============== DONE WITH MIGRATION ================ 13304.1 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13304.4 LDB: Largest compute 7058 load 0.034116 is 17.4% of average load 0.195557 LDB: Average compute 0.004376 is 2.2% of average load 0.195557 LDB: TIME 13304.4 LOAD: AVG 0.195557 MAX 0.217641 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.691 MB LDB: TIME 13304.4 LOAD: AVG 0.195557 MAX 0.217641 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.949 MB LDB: TIME 13304.4 LOAD: AVG 0.195557 MAX 0.217641 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.949 MB LDB: ============== END OF LOAD BALANCING =============== 13304.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13304.4 PRESSURE: 4204400 -415.483 -234.594 75.3186 -234.595 -227.265 0.650779 75.319 0.651019 472.867 GPRESSURE: 4204400 -361.575 -239.619 -0.61796 -194.73 -164.042 -40.6018 179.515 120.73 464.79 PRESSAVG: 4204400 18.1622 14.0462 66.503 14.0462 -19.4402 -13.1344 66.503 -13.1344 0.246187 GPRESSAVG: 4204400 16.4793 14.5649 65.6905 13.943 -18.4217 -11.4956 67.7973 -13.1284 0.846522 TIMING: 4204400 CPU: 13292.2, 0.00322168/step Wall: 13292.2, 0.00322168/step, 0.711991 hours remaining, 234.371094 MB of memory in use. ENERGY: 4204400 4029.9218 20586.2519 14451.3672 251.5478 -203099.0782 2545.8632 0.0000 0.0000 52087.0646 -109147.0618 299.3451 -161234.1264 -108793.2731 300.0510 -56.6273 -20.2761 762106.5179 -0.3440 -0.3653 PRESSURE: 4204600 185.5 70.7824 12.3174 70.7819 -314.733 18.9673 12.317 18.9675 278.456 GPRESSURE: 4204600 167.859 182.361 46.2765 27.1199 -305.513 29.0495 -170.843 22.5468 376.643 PRESSAVG: 4204600 41.1605 -22.4885 42.4278 -22.4885 -48.2222 -43.3173 42.4277 -43.3173 3.99922 GPRESSAVG: 4204600 40.7113 -24.3565 43.3592 -20.6865 -47.9423 -43.7955 41.4247 -42.4626 3.81052 TIMING: 4204600 CPU: 13292.9, 0.00318813/step Wall: 13292.9, 0.00318813/step, 0.7044 hours remaining, 234.371094 MB of memory in use. ENERGY: 4204600 4015.3346 20557.6840 14490.2864 241.4856 -203189.4778 2358.5699 0.0000 0.0000 52208.9275 -109317.1898 300.0454 -161526.1172 -108953.7544 299.9537 49.7412 79.6631 762580.4221 -1.0208 -1.1402 PRESSURE: 4204800 153.792 189.382 50.1051 189.383 150.923 -102.534 50.1049 -102.535 -90.7905 GPRESSURE: 4204800 181.66 164.488 107.876 161.344 195.968 -45.6151 68.7403 -148.183 -60.8782 PRESSAVG: 4204800 3.55287 -19.2047 -36.7866 -19.2047 -1.29367 -82.6276 -36.7866 -82.6275 -2.311 GPRESSAVG: 4204800 4.04453 -18.6144 -36.2413 -20.639 -2.32462 -84.5017 -38.821 -82.747 -1.58383 TIMING: 4204800 CPU: 13293.5, 0.00317344/step Wall: 13293.5, 0.00317344/step, 0.700978 hours remaining, 234.371094 MB of memory in use. ENERGY: 4204800 4017.5566 20384.4345 14509.0729 248.6343 -203208.5803 2582.8009 0.0000 0.0000 52221.6294 -109244.4518 300.1184 -161466.0811 -108869.8592 299.7908 71.3084 105.5830 761456.1580 -0.0173 0.0454 PRESSURE: 4205000 359.869 -17.0822 88.4976 -17.0821 31.0973 144.969 88.4972 144.969 -195.985 GPRESSURE: 4205000 373.992 -30.0492 174.502 -132.974 70.7141 74.8007 122.057 237.038 -172.225 PRESSAVG: 4205000 2.68847 -8.72754 47.2922 -8.7276 -11.0006 35.9847 47.2921 35.9847 15.8753 GPRESSAVG: 4205000 2.70218 -6.90185 47.8774 -9.19485 -9.81827 37.6692 48.3823 36.0549 14.7123 TIMING: 4205000 CPU: 13294.1, 0.0031806/step Wall: 13294.1, 0.0031806/step, 0.702383 hours remaining, 234.371094 MB of memory in use. ENERGY: 4205000 4045.9854 20583.0273 14504.8787 250.6139 -203477.2109 2574.9476 0.0000 0.0000 51878.1261 -109639.6318 298.1443 -161517.7578 -109283.5559 299.0494 64.9937 90.8271 759840.6021 2.5210 2.5321 PRESSURE: 4205200 -148.673 19.4975 121.648 19.4979 -217.88 163.688 121.647 163.688 202.072 GPRESSURE: 4205200 -78.5473 44.0011 151.098 102.679 -171.296 140.236 193.526 273.943 199.903 PRESSAVG: 4205200 -12.6124 -79.6385 -0.428578 -79.6385 -24.9992 -20.6489 -0.428614 -20.649 -5.71372 GPRESSAVG: 4205200 -12.8455 -79.9006 -0.836811 -79.29 -24.6115 -21.3469 -0.860595 -22.3521 -5.33784 TIMING: 4205200 CPU: 13294.8, 0.00318406/step Wall: 13294.8, 0.00318406/step, 0.70297 hours remaining, 234.371094 MB of memory in use. ENERGY: 4205200 3998.0808 20628.1373 14404.9128 258.8744 -203505.8875 2707.3077 0.0000 0.0000 51843.1211 -109665.4534 297.9431 -161508.5746 -109311.6266 299.1169 -54.8269 -16.6468 759625.1209 -14.4418 -14.2650 PRESSURE: 4205400 153.293 165.874 19.7291 165.873 -70.5405 122.718 19.7296 122.719 -153.121 GPRESSURE: 4205400 173.199 191.282 103.649 164.815 73.8095 119.965 3.73655 129.034 -208.278 PRESSAVG: 4205400 55.3653 -45.1176 8.97426 -45.1176 -60.3701 -31.712 8.97433 -31.712 -8.00038 GPRESSAVG: 4205400 55.3609 -46.679 7.4858 -43.8198 -61.2678 -31.2494 11.2968 -29.0676 -7.33178 TIMING: 4205400 CPU: 13295.4, 0.00316892/step Wall: 13295.4, 0.00316892/step, 0.699452 hours remaining, 234.371094 MB of memory in use. ENERGY: 4205400 3997.4046 20374.9240 14481.4386 248.6460 -203398.4434 2501.4973 0.0000 0.0000 51988.7132 -109805.8197 298.7798 -161794.5329 -109445.4688 298.9867 -23.4562 12.9104 759615.6373 -4.3350 -4.4129 PRESSURE: 4205600 -249.166 -137.555 -22.3532 -137.554 -113.661 -204.186 -22.3524 -204.186 -394.808 GPRESSURE: 4205600 -238.336 -30.6068 -98.0327 -125.189 24.1748 -288.919 -53.5097 -202.052 -449.98 PRESSAVG: 4205600 7.3442 -3.02312 2.0362 -3.02306 14.1918 15.5514 2.0362 15.5513 -1.92391 GPRESSAVG: 4205600 7.39933 -0.0426926 3.3905 -4.83575 15.2245 15.5093 0.449469 14.3961 -3.13936 TIMING: 4205600 CPU: 13296, 0.00315598/step Wall: 13296, 0.00315598/step, 0.696419 hours remaining, 234.371094 MB of memory in use. ENERGY: 4205600 3958.1687 20485.7379 14414.0806 258.9366 -203522.2899 2479.5687 0.0000 0.0000 52171.1342 -109754.6632 299.8282 -161925.7974 -109401.0177 299.3668 -252.5451 -221.3805 760441.9634 6.5374 6.4948 PRESSURE: 4205800 -41.8588 -236.538 -146.189 -236.538 3.93006 31.6469 -146.188 31.6471 370.36 GPRESSURE: 4205800 -108.469 -226.391 -170.928 -225.048 32.8346 -30.6512 -8.12173 99.5184 502.932 PRESSAVG: 4205800 -8.49248 -25.8366 -10.2212 -25.8366 7.11727 -9.25279 -10.2212 -9.25283 -1.69347 GPRESSAVG: 4205800 -9.13667 -28.1382 -10.8985 -24.4035 6.90218 -10.0358 -10.3177 -7.2348 -0.224651 TIMING: 4205800 CPU: 13296.7, 0.00316198/step Wall: 13296.7, 0.00316198/step, 0.697567 hours remaining, 234.371094 MB of memory in use. ENERGY: 4205800 3920.1517 20706.7466 14514.0441 247.2623 -204078.8842 2943.5399 0.0000 0.0000 52052.1298 -109695.0097 299.1443 -161747.1395 -109343.3910 298.6828 110.8105 142.4327 760485.0161 -1.0229 -0.8197 PRESSURE: 4206000 -236.127 167.602 149.632 167.603 -39.8805 -345.101 149.632 -345.1 -154.48 GPRESSURE: 4206000 -231.021 96.5047 83.5368 130.931 -24.215 -242.142 137.651 -319.804 -80.039 PRESSAVG: 4206000 -25.7389 -0.807017 -9.43916 -0.807009 36.1996 41.9201 -9.43914 41.9201 -8.31828 GPRESSAVG: 4206000 -23.8941 1.82672 -9.80403 -3.02866 33.6644 42.4272 -8.23449 40.3139 -7.84078 TIMING: 4206000 CPU: 13297.3, 0.00317235/step Wall: 13297.3, 0.00317235/step, 0.69968 hours remaining, 234.371094 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: 4206000 4079.4479 20602.8679 14422.6987 223.9714 -203518.1669 2470.8389 0.0000 0.0000 52056.1158 -109662.2262 299.1672 -161718.3420 -109303.9414 299.0085 -143.4958 -111.7582 763194.4298 0.7141 0.6432 PRESSURE: 4206200 40.4923 -126.886 -33.8464 -126.886 95.3318 -5.40182 -33.8458 -5.40046 -171.103 GPRESSURE: 4206200 29.9139 -71.791 11.0648 73.2062 130.242 -2.78585 7.38763 -79.7113 -108.771 PRESSAVG: 4206200 45.1749 -26.7065 -38.8284 -26.7065 25.2204 -72.0457 -38.8285 -72.0457 10.6499 GPRESSAVG: 4206200 44.0731 -29.4015 -38.4171 -23.4684 26.8134 -72.9876 -39.4397 -73.4007 9.75585 TIMING: 4206200 CPU: 13297.9, 0.00316345/step Wall: 13297.9, 0.00316345/step, 0.697542 hours remaining, 234.371094 MB of memory in use. ENERGY: 4206200 3994.7633 20452.9037 14395.8241 253.3759 -203616.6053 2752.6108 0.0000 0.0000 52015.9019 -109751.2256 298.9361 -161767.1275 -109380.6317 298.8293 -11.7595 17.1284 761918.5763 27.0151 26.8808 PRESSURE: 4206400 -350.279 -158.658 -3.95136 -158.657 174.956 -64.0075 -3.95146 -64.0072 -281.322 GPRESSURE: 4206400 -330.502 -151.691 84.2807 -16.0983 196.912 -13.0291 18.6189 16.3646 -246.691 PRESSAVG: 4206400 11.1326 -34.5768 29.0697 -34.5769 17.7684 -21.2043 29.0697 -21.2043 4.62836 GPRESSAVG: 4206400 9.98852 -34.7498 28.8518 -33.6027 18.4304 -19.9977 28.4142 -20.7956 4.9724 TIMING: 4206400 CPU: 13298.6, 0.00319024/step Wall: 13298.6, 0.00319024/step, 0.70327 hours remaining, 234.371094 MB of memory in use. ENERGY: 4206400 4015.9294 20577.5007 14418.1692 254.0020 -203530.5527 2414.2514 0.0000 0.0000 52183.9250 -109666.7749 299.9017 -161850.6999 -109313.7790 298.5887 -152.2150 -126.7603 761969.2584 11.1764 11.1304 PRESSURE: 4206600 -250.034 -58.5481 -112.87 -58.5483 -158.342 171.76 -112.868 171.76 -143.067 GPRESSURE: 4206600 -220.462 109.181 -160.229 92.2747 -114.171 126.362 -112.594 127.174 -128.988 PRESSAVG: 4206600 30.3945 70.0702 -65.449 70.0702 -48.7332 -0.423761 -65.449 -0.423855 -11.3879 GPRESSAVG: 4206600 31.5388 71.5097 -65.4417 69.4876 -49.5391 -1.97648 -64.6685 1.12253 -11.3917 TIMING: 4206600 CPU: 13299.2, 0.0031838/step Wall: 13299.2, 0.0031838/step, 0.701674 hours remaining, 234.371094 MB of memory in use. ENERGY: 4206600 3939.5989 20486.1203 14452.7413 222.4362 -203460.5335 2463.6633 0.0000 0.0000 52108.2335 -109787.7401 299.4667 -161895.9735 -109423.1331 298.7309 -183.8143 -154.5404 761375.0305 -9.9089 -9.7973 PRESSURE: 4206800 -75.427 -114.549 23.6835 -114.548 336.972 155.584 23.6834 155.584 -81.3993 GPRESSURE: 4206800 -93.2208 -211.595 64.3223 -262.558 387.099 82.1626 62.6699 -21.2532 -15.4651 PRESSAVG: 4206800 -26.366 -29.2054 -21.3701 -29.2054 36.7296 -16.4795 -21.3701 -16.4796 3.0545 GPRESSAVG: 4206800 -28.0838 -29.8902 -20.1056 -31.5669 37.2879 -15.7618 -24.3399 -18.3352 4.16647 TIMING: 4206800 CPU: 13299.8, 0.00318819/step Wall: 13299.8, 0.00318819/step, 0.702465 hours remaining, 234.371094 MB of memory in use. ENERGY: 4206800 4000.5842 20558.4434 14461.4603 232.2275 -203337.1596 2351.5842 0.0000 0.0000 52118.5049 -109614.3552 299.5258 -161732.8600 -109254.5789 298.9796 60.0487 92.8043 760164.8407 4.4727 4.4569 PRESSURE: 4207000 275.802 -156.678 -2.05392 -156.678 -208.334 -240.356 -2.05302 -240.357 284.408 GPRESSURE: 4207000 328.402 -105.143 66.4479 -144.748 -174.306 -285.727 152.154 -56.6855 273.405 PRESSAVG: 4207000 -15.7052 -2.90659 -14.4388 -2.90658 36.2469 45.0014 -14.4389 45.0014 -5.67047 GPRESSAVG: 4207000 -13.6461 -4.32812 -15.175 -2.37507 36.5332 47.3181 -11.3159 44.6466 -7.35778 TIMING: 4207000 CPU: 13300.5, 0.00320813/step Wall: 13300.5, 0.00320813/step, 0.706679 hours remaining, 234.371094 MB of memory in use. ENERGY: 4207000 4008.0809 20286.5925 14469.5836 246.8349 -203388.7460 2543.2371 0.0000 0.0000 52145.7488 -109688.6681 299.6823 -161834.4169 -109323.9142 299.3753 117.2921 142.5001 762016.4389 4.9571 5.1764 PRESSURE: 4207200 -38.962 65.4111 139.355 65.4111 42.6775 -27.9563 139.355 -27.9556 192.846 GPRESSURE: 4207200 -65.0892 117.568 36.4069 42.6813 111.678 -31.899 233.397 21.6808 246.861 PRESSAVG: 4207200 0.0595095 -60.8997 -0.764066 -60.8996 -0.81309 59.7208 -0.764038 59.7208 -0.799766 GPRESSAVG: 4207200 -1.41774 -59.0006 -0.901202 -61.6093 0.0163684 56.8672 -0.204714 61.9715 -0.250954 TIMING: 4207200 CPU: 13301.1, 0.00320258/step Wall: 13301.1, 0.00320258/step, 0.705278 hours remaining, 234.371094 MB of memory in use. ENERGY: 4207200 4068.7146 20471.5608 14444.2212 246.6970 -203259.6716 2553.9219 0.0000 0.0000 51812.2722 -109662.2839 297.7658 -161474.5561 -109311.5794 298.5444 65.5203 97.8166 760243.1091 -0.5178 -0.5508 PRESSURE: 4207400 98.0271 -139.125 179.013 -139.125 268.913 -139.361 179.015 -139.361 -129.673 GPRESSURE: 4207400 99.69 -153.811 103.107 -66.272 285.48 -89.9751 270.886 -90.3638 -71.8488 PRESSAVG: 4207400 24.4529 -6.84743 50.0865 -6.84738 -21.3058 56.8376 50.0866 56.8376 -0.233192 GPRESSAVG: 4207400 24.93 -8.99376 49.2704 -4.22955 -22.0867 56.7934 49.5465 54.5008 0.112138 TIMING: 4207400 CPU: 13301.8, 0.00320001/step Wall: 13301.8, 0.00320001/step, 0.704536 hours remaining, 234.371094 MB of memory in use. ENERGY: 4207400 4004.7732 20625.0632 14357.1319 253.7831 -203545.1491 2700.7547 0.0000 0.0000 51958.1537 -109645.4893 298.6042 -161603.6430 -109294.7546 298.6009 79.0889 104.4405 762081.1316 0.9713 0.9852 PRESSURE: 4207600 -276.424 115.946 -173.202 115.947 -280.714 -101.007 -173.201 -101.006 -165.557 GPRESSURE: 4207600 -168.395 89.151 -105.947 168.104 -292.14 -98.6079 -155.43 -119.739 -160.641 PRESSAVG: 4207600 8.86213 -36.3609 -41.6663 -36.3609 -17.3607 -2.29228 -41.6663 -2.29224 9.81672 GPRESSAVG: 4207600 9.12264 -35.3811 -39.2671 -37.1015 -17.625 -1.47521 -44.2071 -2.73773 10.0937 TIMING: 4207600 CPU: 13302.4, 0.00318847/step Wall: 13302.4, 0.00318847/step, 0.701817 hours remaining, 234.371094 MB of memory in use. ENERGY: 4207600 3991.3490 20611.5453 14446.5295 246.2132 -203537.0702 2477.8654 0.0000 0.0000 52162.7543 -109600.8134 299.7801 -161763.5677 -109241.9732 299.1833 -240.8984 -207.0589 760745.1170 0.4394 0.5305 PRESSURE: 4207800 -52.6633 -52.2134 91.4983 -52.2131 -92.9297 69.5594 91.4985 69.5595 106.442 GPRESSURE: 4207800 57.2994 -158.734 113.609 6.92159 -103.925 13.6618 -26.6203 54.2354 130.74 PRESSAVG: 4207800 0.750617 8.55756 30.0764 8.55757 40.6113 12.0637 30.0764 12.0638 -11.4885 GPRESSAVG: 4207800 1.00308 7.53817 29.0308 9.08623 39.7508 12.329 30.9702 10.9117 -10.8469 TIMING: 4207800 CPU: 13303, 0.00318391/step Wall: 13303, 0.00318391/step, 0.700637 hours remaining, 234.371094 MB of memory in use. ENERGY: 4207800 3945.6070 20374.9458 14450.7609 249.9245 -203344.2981 2585.9122 0.0000 0.0000 52217.1225 -109520.0252 300.0925 -161737.1477 -109158.9008 299.7682 -13.0502 28.0381 760726.8255 9.9578 9.9690 PRESSURE: 4208000 99.7258 56.9578 21.7517 56.9583 78.392 -227.184 21.7522 -227.184 -549.968 GPRESSURE: 4208000 109.659 81.8489 -38.2913 16.8907 49.1435 -295.394 83.3894 -71.0048 -455.739 PRESSAVG: 4208000 16.8763 46.4993 1.9123 46.4992 -36.9986 -41.772 1.91225 -41.772 -15.45 GPRESSAVG: 4208000 17.4407 45.7967 1.72045 47.3874 -36.0285 -41.7004 2.15458 -38.7568 -16.7967 TIMING: 4208000 CPU: 13303.7, 0.00319508/step Wall: 13303.7, 0.00319508/step, 0.702918 hours remaining, 234.371094 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: 4208000 3978.3169 20639.3443 14457.9500 235.9958 -203277.7141 2218.8405 0.0000 0.0000 52169.3461 -109577.9205 299.8179 -161747.2666 -109224.2837 299.9295 -123.9503 -98.9787 759539.4155 -11.8574 -11.7949 PRESSURE: 4208200 37.0175 71.9013 22.3396 71.9009 -73.57 332.859 22.3398 332.858 196.62 GPRESSURE: 4208200 6.17956 120.426 68.1723 15.9867 59.023 318.852 67.8625 322.547 174.697 PRESSAVG: 4208200 29.5661 22.6348 -0.989474 22.6349 8.43481 25.1526 -0.98949 25.1527 15.951 GPRESSAVG: 4208200 29.4547 25.608 -0.680351 20.8041 7.97907 25.3384 -1.22093 22.7918 16.0113 TIMING: 4208200 CPU: 13304.3, 0.00317375/step Wall: 13304.3, 0.00317375/step, 0.698048 hours remaining, 234.371094 MB of memory in use. ENERGY: 4208200 3965.4664 20653.1996 14315.9858 237.3855 -203283.3412 2477.1008 0.0000 0.0000 51850.7476 -109783.4555 297.9870 -161634.2031 -109431.4446 299.4881 53.3559 79.9665 759728.7544 17.9840 17.8150 LDB: ============= START OF LOAD BALANCING ============== 13316.8 LDB: ============== END OF LOAD BALANCING =============== 13316.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13316.8 LDB: ============= START OF LOAD BALANCING ============== 13317.2 LDB: Largest compute 7057 load 0.033002 is 16.9% of average load 0.195599 LDB: Average compute 0.004385 is 2.2% of average load 0.195599 LDB: TIME 13317.2 LOAD: AVG 0.195599 MAX 0.215807 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13317.2 LOAD: AVG 0.195599 MAX 0.215807 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 13317.2 LOAD: AVG 0.195599 MAX 0.215807 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 13317.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13317.2 PRESSURE: 4208400 -456.191 339.638 -25.1363 339.639 -354.372 -71.8781 -25.1369 -71.8788 -324.433 GPRESSURE: 4208400 -470.78 364.495 -59.7139 199 -251.985 -37.1117 9.48154 -156.187 -323.585 PRESSAVG: 4208400 -36.4421 46.476 -33.7442 46.476 34.6739 -16.4812 -33.7443 -16.4812 -15.1101 GPRESSAVG: 4208400 -36.4812 45.7028 -33.6068 47.0275 35.5014 -18.1397 -34.396 -13.436 -15.1162 TIMING: 4208400 CPU: 13305, 0.0032227/step Wall: 13305, 0.0032227/step, 0.708637 hours remaining, 236.675781 MB of memory in use. ENERGY: 4208400 4034.1976 20590.1818 14501.7914 261.1426 -203463.7403 2539.2435 0.0000 0.0000 51917.9116 -109619.2718 298.3730 -161537.1834 -109261.3882 299.3224 -378.3321 -348.7834 761780.2815 -5.6261 -5.3653 PRESSURE: 4208600 -118.803 15.3321 -110.233 15.3321 -41.9642 130.037 -110.233 130.037 -19.1111 GPRESSURE: 4208600 -149.396 -96.9267 -169.83 57.3984 58.4067 68.4522 31.7389 148.974 -1.74038 PRESSAVG: 4208600 -16.0035 20.3962 45.5174 20.3962 -1.89588 -40.239 45.5173 -40.2391 -13.7754 GPRESSAVG: 4208600 -16.1873 22.0829 45.8208 21.5802 -2.74847 -38.4938 46.5258 -41.5841 -13.4989 TIMING: 4208600 CPU: 13305.6, 0.00317052/step Wall: 13305.6, 0.00317052/step, 0.696985 hours remaining, 237.093750 MB of memory in use. ENERGY: 4208600 4005.9869 20548.6645 14404.7536 219.3514 -203419.6093 2671.1231 0.0000 0.0000 51870.9282 -109698.8016 298.1029 -161569.7298 -109342.0769 299.1573 -59.9596 -30.9098 760581.8642 -10.5583 -10.8115 PRESSURE: 4208800 152.67 70.1979 10.489 70.1983 -39.8803 89.1556 10.4887 89.1564 -210.542 GPRESSURE: 4208800 249.529 71.9902 -17.8551 46.0802 -31.6035 141.379 67.5126 -68.5974 -224.134 PRESSAVG: 4208800 38.2547 -33.7564 10.0834 -33.7564 -32.4415 33.6525 10.0834 33.6525 -10.7138 GPRESSAVG: 4208800 38.5787 -35.0476 10.3581 -34.9176 -32.0547 32.0614 11.557 32.6904 -11.3222 TIMING: 4208800 CPU: 13306.2, 0.00317883/step Wall: 13306.2, 0.00317883/step, 0.698637 hours remaining, 237.296875 MB of memory in use. ENERGY: 4208800 3972.7638 20360.5269 14443.8895 255.5111 -202937.1289 2226.6549 0.0000 0.0000 52064.7629 -109613.0198 299.2169 -161677.7827 -109262.6236 298.9042 -32.5841 -2.0693 760467.2175 -1.6336 -1.5994 PRESSURE: 4209000 -131.577 -258.331 -35.7421 -258.331 -122.925 -74.842 -35.7415 -74.842 -185.584 GPRESSURE: 4209000 -126.655 -272.56 -20.7019 -201.164 -146.326 -68.968 38.9611 -8.86705 -85.5609 PRESSAVG: 4209000 28.926 -28.5599 10.0601 -28.5599 -10.6865 -8.57018 10.0601 -8.57016 7.34744 GPRESSAVG: 4209000 29.6516 -30.6139 9.03963 -26.1133 -12.6279 -8.16086 6.45915 -7.62931 8.31865 TIMING: 4209000 CPU: 13306.9, 0.00315861/step Wall: 13306.9, 0.00315861/step, 0.694017 hours remaining, 237.296875 MB of memory in use. ENERGY: 4209000 4061.3464 20485.9858 14427.1816 249.4295 -203240.2648 2455.6375 0.0000 0.0000 51879.3191 -109681.3648 298.1512 -161560.6840 -109327.2962 298.5466 -146.6956 -119.5140 760561.0961 8.5290 8.4475 PRESSURE: 4209200 27.9405 5.50738 45.3227 5.50731 -25.0342 -182.396 45.3212 -182.398 -96.8291 GPRESSURE: 4209200 -20.8068 22.2151 102.991 -107.374 114.337 -235.227 -19.3045 -170.539 -110.453 PRESSAVG: 4209200 18.8456 -31.2356 11.655 -31.2356 40.6 30.999 11.655 30.999 15.278 GPRESSAVG: 4209200 18.341 -26.255 13.1264 -34.7957 42.0824 31.3732 14.7878 30.3819 14.6805 TIMING: 4209200 CPU: 13307.5, 0.00319361/step Wall: 13307.5, 0.00319361/step, 0.701531 hours remaining, 237.316406 MB of memory in use. ENERGY: 4209200 3981.4286 20576.5974 14402.6728 250.9998 -203353.3839 2532.6170 0.0000 0.0000 52145.1722 -109463.8961 299.6790 -161609.0683 -109102.0382 299.7340 -31.3076 -5.6407 762853.4847 24.9079 25.0347 PRESSURE: 4209400 -305.649 4.91502 105.345 4.91565 13.1575 -117.529 105.345 -117.529 -157.123 GPRESSURE: 4209400 -269.692 -23.005 3.88873 19.1906 38.2119 -157.701 194.369 -141.833 -123.389 PRESSAVG: 4209400 -17.7958 -23.0402 -12.085 -23.0402 18.574 -59.2885 -12.0851 -59.2885 1.3522 GPRESSAVG: 4209400 -19.6094 -26.2235 -13.4169 -21.5305 19.8085 -60.5553 -13.1812 -58.7174 1.60857 TIMING: 4209400 CPU: 13308.1, 0.00317077/step Wall: 13308.1, 0.00317077/step, 0.696337 hours remaining, 237.316406 MB of memory in use. ENERGY: 4209400 4047.3513 20621.2457 14465.5854 255.1767 -203518.4350 2529.9100 0.0000 0.0000 52126.5959 -109472.5700 299.5723 -161599.1660 -109127.6530 299.8612 -149.8716 -118.2899 761810.8649 0.7101 0.6025 PRESSURE: 4209600 -136.714 37.2883 161.542 37.288 -91.6097 -240.25 161.541 -240.25 -66.1048 GPRESSURE: 4209600 -98.9663 100.018 159.322 -86.1521 -46.2835 -269.565 44.9628 -304.648 -75.227 PRESSAVG: 4209600 -28.5959 -47.852 32.0275 -47.852 26.1031 -70.2957 32.0275 -70.2957 0.170347 GPRESSAVG: 4209600 -27.7946 -47.9026 31.265 -47.6211 26.2305 -70.6908 31.2766 -71.4721 -1.20774 TIMING: 4209600 CPU: 13308.8, 0.00317962/step Wall: 13308.8, 0.00317962/step, 0.698103 hours remaining, 237.316406 MB of memory in use. ENERGY: 4209600 4052.3142 20627.9573 14472.3882 235.4703 -203242.2403 2382.3907 0.0000 0.0000 52099.4409 -109372.2787 299.4162 -161471.7196 -109005.9446 299.3581 -98.1428 -73.4923 760333.9309 -0.7742 -0.9240 PRESSURE: 4209800 -64.5591 -50.1421 108.438 -50.1432 -237.163 -163.918 108.437 -163.92 -56.6906 GPRESSURE: 4209800 -128.18 -91.143 51.1184 126.441 -19.3096 -77.2469 41.8809 -37.1563 -100.195 PRESSAVG: 4209800 -32.9785 -60.9889 38.6837 -60.9889 55.6004 -3.46886 38.6837 -3.46889 -9.0873 GPRESSAVG: 4209800 -32.3519 -60.9957 40.4281 -61.6315 53.9096 -1.87908 39.2112 -2.85361 -7.70874 TIMING: 4209800 CPU: 13309.4, 0.0032026/step Wall: 13309.4, 0.0032026/step, 0.702971 hours remaining, 237.316406 MB of memory in use. ENERGY: 4209800 4043.8152 20767.1842 14468.1494 243.6231 -203520.4297 2686.2062 0.0000 0.0000 52013.4924 -109297.9592 298.9223 -161311.4516 -108948.7733 299.6789 -119.4708 -82.5615 760768.0800 4.5115 4.6163 PRESSURE: 4210000 5.79998 -90.256 92.429 -90.2558 -156.827 9.11433 92.4292 9.11452 -297.977 GPRESSURE: 4210000 31.2792 -73.2405 32.9475 -86.4455 -105.328 24.3428 244.417 -117.001 -285.348 PRESSAVG: 4210000 9.42278 -31.2748 -37.962 -31.2748 11.2235 1.74909 -37.962 1.74912 28.3869 GPRESSAVG: 4210000 9.00377 -29.717 -38.6762 -32.5521 13.015 1.93331 -39.7472 1.49836 27.3147 TIMING: 4210000 CPU: 13310, 0.00319617/step Wall: 13310, 0.00319617/step, 0.701383 hours remaining, 237.316406 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: 4210000 4018.0571 20391.4965 14473.5076 241.4070 -203529.3534 2688.6401 0.0000 0.0000 52335.7506 -109380.4944 300.7743 -161716.2451 -109018.5362 299.7675 -149.6679 -119.7987 760055.7796 16.3444 16.4445 PRESSURE: 4210200 -512.764 20.6274 122.473 20.6277 -252.471 -73.4837 122.474 -73.483 13.1002 GPRESSURE: 4210200 -440.902 95.3691 157.047 13.3849 -223.31 -56.4808 10.7814 -166.65 -1.88689 PRESSAVG: 4210200 -3.32702 1.47479 25.337 1.4748 20.3372 23.7796 25.337 23.7797 21.9462 GPRESSAVG: 4210200 -3.65912 -1.12093 26.5521 3.49952 19.0547 21.3223 26.2106 23.581 22.7889 TIMING: 4210200 CPU: 13310.7, 0.00319395/step Wall: 13310.7, 0.00319396/step, 0.700718 hours remaining, 237.316406 MB of memory in use. ENERGY: 4210200 4023.6371 20714.1736 14493.3803 243.3749 -203159.4781 2341.7490 0.0000 0.0000 52095.3737 -109247.7894 299.3928 -161343.1631 -108883.9882 300.1749 -250.7114 -222.0330 762995.3984 12.9854 12.7282 PRESSURE: 4210400 -541.14 -170.894 -180.117 -170.894 -17.9001 -223.957 -180.117 -223.957 -53.4209 GPRESSURE: 4210400 -427.055 -210.778 -91.2341 -98.5669 -9.24929 -245.247 -114.678 -114.661 -79.187 PRESSAVG: 4210400 -71.2527 76.6458 30.2713 76.6458 60.4471 -30.4525 30.2712 -30.4525 3.20139 GPRESSAVG: 4210400 -70.4015 77.3303 28.7463 75.0562 59.3101 -28.3547 29.6522 -28.9211 3.79582 TIMING: 4210400 CPU: 13311.3, 0.00317395/step Wall: 13311.3, 0.00317395/step, 0.696152 hours remaining, 237.375000 MB of memory in use. ENERGY: 4210400 3996.4944 20741.7001 14481.1778 246.6335 -202911.7731 2310.1960 0.0000 0.0000 51860.1627 -109275.4086 298.0411 -161135.5712 -108919.7993 299.5359 -204.1535 -171.8305 762180.2476 -2.5347 -2.4319 PRESSURE: 4210600 51.1547 236.699 219.651 236.699 -85.1665 59.8872 219.65 59.8868 -310.444 GPRESSURE: 4210600 41.2052 245.046 269.497 161.108 -8.68091 49.434 192.739 5.24888 -294.307 PRESSAVG: 4210600 -94.616 1.18871 20.1405 1.18866 76.1274 -15.1004 20.1404 -15.1004 4.9992 GPRESSAVG: 4210600 -95.6352 1.58947 20.6086 0.819214 78.1853 -16.5351 21.2136 -15.395 4.43563 TIMING: 4210600 CPU: 13312, 0.003181/step Wall: 13312, 0.003181/step, 0.697523 hours remaining, 237.375000 MB of memory in use. ENERGY: 4210600 4114.4671 20624.7425 14507.7751 232.8246 -203425.3535 2788.7929 0.0000 0.0000 52005.4880 -109151.2632 298.8763 -161156.7512 -108794.1012 299.8783 -114.8186 -87.2610 761547.7025 -4.4965 -4.3381 PRESSURE: 4210800 55.273 13.7013 446.319 13.7014 -61.923 -176.502 446.32 -176.502 -356.401 GPRESSURE: 4210800 27.9045 -49.2052 356.247 120.376 -73.5067 -172.019 350.575 -199.897 -250.842 PRESSAVG: 4210800 5.20953 -3.18955 12.7149 -3.1895 -5.93963 52.4187 12.7149 52.4186 4.993 GPRESSAVG: 4210800 4.9391 -3.94692 13.7628 -0.377993 -6.91928 52.9288 12.6127 52.044 5.68014 TIMING: 4210800 CPU: 13312.6, 0.00319723/step Wall: 13312.6, 0.00319723/step, 0.700903 hours remaining, 237.375000 MB of memory in use. ENERGY: 4210800 3965.3055 20611.3594 14453.8483 262.2728 -203310.4379 2327.9711 0.0000 0.0000 52438.2378 -109251.4428 301.3633 -161689.6807 -108884.4066 299.6736 -121.0170 -98.8146 760642.8361 1.4210 1.2333 PRESSURE: 4211000 -266.196 101.752 -329.913 101.752 159.762 4.12562 -329.914 4.1244 -319.608 GPRESSURE: 4211000 -218.204 76.8291 -442.038 139.216 200.515 -72.2499 -268.023 4.16388 -324.061 PRESSAVG: 4211000 -41.4011 0.629166 23.9226 0.629203 48.6528 -20.6562 23.9227 -20.6562 2.30743 GPRESSAVG: 4211000 -41.1399 0.800361 22.7646 0.218868 48.2145 -21.3259 24.2308 -21.0086 1.89697 TIMING: 4211000 CPU: 13313.2, 0.00319623/step Wall: 13313.2, 0.00319623/step, 0.700507 hours remaining, 237.375000 MB of memory in use. ENERGY: 4211000 4010.9931 20427.7858 14449.6781 245.9755 -203266.4345 2612.7054 0.0000 0.0000 52294.2812 -109225.0154 300.5360 -161519.2967 -108856.2994 299.4866 -142.0142 -113.9168 762035.3869 3.1864 2.9905 PRESSURE: 4211200 -395.934 212.615 31.5529 212.615 -325.767 -70.1006 31.5532 -70.1007 5.40715 GPRESSURE: 4211200 -290.248 157.322 88.9408 234.4 -351.713 -99.4696 108.165 39.7641 13.8325 PRESSAVG: 4211200 -53.6766 29.8232 40.4847 29.8232 26.9794 -31.0809 40.4847 -31.081 8.60701 GPRESSAVG: 4211200 -52.529 30.3715 41.5326 30.5002 26.9052 -31.3337 42.0124 -30.5426 7.73113 TIMING: 4211200 CPU: 13313.9, 0.00319286/step Wall: 13313.9, 0.00319286/step, 0.699592 hours remaining, 237.375000 MB of memory in use. ENERGY: 4211200 3966.4041 20519.8815 14470.9212 242.2007 -203104.7400 2429.8904 0.0000 0.0000 52262.3184 -109213.1238 300.3523 -161475.4422 -108851.6842 299.8871 -238.7647 -209.3763 764169.1048 -6.0301 -5.9642 PRESSURE: 4211400 -146.079 -167.719 229.119 -167.719 196.869 -207.713 229.12 -207.712 97.5652 GPRESSURE: 4211400 -102.834 -91.722 228.61 -148.607 192.954 -212.627 294.751 -186.861 128.705 PRESSAVG: 4211400 12.7529 32.697 4.86171 32.697 -34.836 -69.0731 4.86164 -69.073 6.09093 GPRESSAVG: 4211400 12.2845 31.2786 2.85786 32.19 -35.1105 -68.3587 4.41927 -68.9838 7.21461 TIMING: 4211400 CPU: 13314.5, 0.00320341/step Wall: 13314.5, 0.00320341/step, 0.701725 hours remaining, 237.375000 MB of memory in use. ENERGY: 4211400 4078.2546 20745.5440 14498.1478 234.1821 -203135.2649 2538.8473 0.0000 0.0000 51966.9633 -109073.3259 298.6549 -161040.2892 -108717.5243 300.0917 49.4518 72.9416 760483.2107 -5.3307 -5.2038 PRESSURE: 4211600 56.3617 -68.4577 -62.181 -68.4577 78.4325 29.2487 -62.1807 29.248 320.965 GPRESSURE: 4211600 10.8631 -72.9865 -22.0971 -126.867 214.949 1.36608 -118.547 74.1354 306.967 PRESSAVG: 4211600 -0.733737 30.2849 -6.70878 30.285 25.5395 -14.7953 -6.70874 -14.7954 6.763 GPRESSAVG: 4211600 -0.446363 30.3207 -7.09766 30.5054 26.7202 -16.3026 -9.038 -14.473 5.25061 TIMING: 4211600 CPU: 13315.1, 0.00317894/step Wall: 13315.1, 0.00317894/step, 0.696189 hours remaining, 237.375000 MB of memory in use. ENERGY: 4211600 4025.3969 20572.3618 14435.4679 228.4385 -202943.2835 2300.9940 0.0000 0.0000 52347.0735 -109033.5509 300.8394 -161380.6244 -108658.5342 300.3498 151.9196 177.5930 760332.4881 10.5229 10.5081 PRESSURE: 4211800 -324.66 -140.738 -300.852 -140.737 -190.025 89.7126 -300.852 89.7132 -192.013 GPRESSURE: 4211800 -337.277 -120.287 -294.836 -68.4661 -121.783 120.386 -284.213 151.458 -160.484 PRESSAVG: 4211800 -2.07958 -12.7511 -59.8225 -12.7512 -14.9459 -13.1332 -59.8225 -13.1333 -12.9813 GPRESSAVG: 4211800 -2.70461 -13.6611 -58.7493 -12.3959 -16.1183 -12.0158 -60.4551 -13.2278 -11.523 TIMING: 4211800 CPU: 13315.8, 0.00316469/step Wall: 13315.8, 0.00316469/step, 0.692892 hours remaining, 237.375000 MB of memory in use. ENERGY: 4211800 4009.7608 20577.6310 14502.6007 231.3062 -203008.2109 2470.5791 0.0000 0.0000 51985.8310 -109230.5021 298.7633 -161216.3331 -108867.0702 299.9996 -235.5660 -206.5146 763064.1070 -10.0023 -10.1153 PRESSURE: 4212000 26.196 63.7665 91.9653 63.7669 90.443 -331.151 91.9646 -331.151 234.866 GPRESSURE: 4212000 104.644 -26.7304 61.0821 71.8233 135.473 -362.826 11.684 -160.685 214.688 PRESSAVG: 4212000 -35.0496 -20.1124 -43.9826 -20.1124 0.725078 -15.916 -43.9825 -15.916 12.7238 GPRESSAVG: 4212000 -33.8858 -19.5452 -45.008 -21.9402 0.728566 -15.7274 -40.1828 -15.6601 11.9253 TIMING: 4212000 CPU: 13316.4, 0.0031691/step Wall: 13316.4, 0.0031691/step, 0.693682 hours remaining, 237.375000 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: 4212000 3992.3377 20563.1912 14441.4669 248.5054 -203291.1192 2521.5762 0.0000 0.0000 52193.5832 -109330.4586 299.9572 -161524.0418 -108969.1088 299.7845 117.1685 151.6017 759687.6603 -7.2002 -7.0773 PRESSURE: 4212200 6.66367 -91.2686 119.308 -91.2674 -158.894 146.629 119.307 146.627 -395.335 GPRESSURE: 4212200 -23.2385 -36.3589 186.184 30.2355 -82.1046 147.644 41.3413 188.827 -333.526 PRESSAVG: 4212200 -31.8374 -45.5119 -17.9984 -45.5119 10.1696 5.54311 -17.9984 5.5432 -19.6229 GPRESSAVG: 4212200 -32.866 -44.1479 -16.4241 -44.0138 11.9236 6.23787 -21.3525 4.19938 -20.11 TIMING: 4212200 CPU: 13317.1, 0.00318183/step Wall: 13317.1, 0.00318183/step, 0.696289 hours remaining, 237.375000 MB of memory in use. ENERGY: 4212200 4057.0290 20637.7873 14431.5892 231.3725 -203251.1977 2518.9841 0.0000 0.0000 52028.4711 -109345.9646 299.0083 -161374.4357 -108979.5781 300.1140 -182.5218 -146.2896 760807.2726 -13.7636 -13.6842 LDB: ============= START OF LOAD BALANCING ============== 13329.6 LDB: ============== END OF LOAD BALANCING =============== 13329.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13329.6 LDB: ============= START OF LOAD BALANCING ============== 13329.9 LDB: Largest compute 7067 load 0.033366 is 17.1% of average load 0.195503 LDB: Average compute 0.004394 is 2.2% of average load 0.195503 LDB: TIME 13329.9 LOAD: AVG 0.195503 MAX 0.214853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 13329.9 LOAD: AVG 0.195503 MAX 0.214853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: TIME 13329.9 LOAD: AVG 0.195503 MAX 0.214853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.086 MB LDB: ============== END OF LOAD BALANCING =============== 13329.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13329.9 PRESSURE: 4212400 302.615 92.4517 -58.1818 92.4517 32.2762 -143.596 -58.1814 -143.596 -107.953 GPRESSURE: 4212400 285.303 26.4387 -23.3043 106.384 126.19 -235.095 -46.6822 -109.182 -109.517 PRESSAVG: 4212400 35.8516 -7.49505 -49.888 -7.49505 3.09143 27.6684 -49.888 27.6683 13.8826 GPRESSAVG: 4212400 36.3284 -7.11386 -53.3185 -8.70331 1.54711 24.7073 -45.5519 27.9029 14.7411 TIMING: 4212400 CPU: 13317.7, 0.00325162/step Wall: 13317.7, 0.00325162/step, 0.711383 hours remaining, 235.347656 MB of memory in use. ENERGY: 4212400 4014.3321 20565.2910 14408.0486 239.5673 -203117.1200 2630.0039 0.0000 0.0000 52057.5328 -109202.3443 299.1754 -161259.8771 -108831.0217 299.8084 75.6460 100.6588 760413.2707 17.6086 17.5388 PRESSURE: 4212600 -323.46 168.777 -59.9915 168.777 -317.402 48.4182 -59.9912 48.4179 -53.5196 GPRESSURE: 4212600 -381.042 193.309 -82.1007 133.656 -192.404 -10.8383 -32.1813 -4.47078 -31.3699 PRESSAVG: 4212600 -13.9101 -2.05399 -55.5161 -2.054 3.81171 -32.31 -55.5161 -32.3101 8.34941 GPRESSAVG: 4212600 -14.0028 -3.91365 -53.2283 0.26638 3.85745 -30.3591 -56.4748 -31.3357 8.79969 TIMING: 4212600 CPU: 13318.3, 0.00320241/step Wall: 13318.3, 0.00320241/step, 0.700439 hours remaining, 235.636719 MB of memory in use. ENERGY: 4212600 3973.6276 20646.8734 14446.4664 233.7430 -202822.3689 2317.9777 0.0000 0.0000 52059.2800 -109144.4007 299.1854 -161203.6808 -108782.1535 300.1544 -231.4604 -201.6052 761734.6690 -0.5830 -0.4486 PRESSURE: 4212800 -101.626 -79.8541 -57.5361 -79.8535 75.6872 -93.3189 -57.5371 -93.3179 -220.645 GPRESSURE: 4212800 -55.647 49.6872 -130.901 46.7654 130.141 -23.7172 20.785 -194.798 -228.318 PRESSAVG: 4212800 34.8748 -0.520803 -34.6033 -0.520857 -65.8711 -57.2287 -34.6033 -57.2287 -3.80309 GPRESSAVG: 4212800 34.7788 -0.0735308 -34.9844 -1.79589 -64.6838 -56.461 -34.2222 -57.9026 -4.74847 TIMING: 4212800 CPU: 13319, 0.00319547/step Wall: 13319, 0.00319547/step, 0.698743 hours remaining, 235.703125 MB of memory in use. ENERGY: 4212800 4037.9639 20462.2668 14440.3814 236.6570 -203138.5472 2386.7561 0.0000 0.0000 52430.9328 -109143.5892 301.3213 -161574.5219 -108764.0608 299.8346 -82.1947 -51.2747 761517.2976 -11.5998 -11.5512 PRESSURE: 4213000 154.592 -66.8202 284.592 -66.82 -410.316 86.7874 284.592 86.7874 -116.477 GPRESSURE: 4213000 183.293 -165.088 319.617 -116.788 -341.65 105.376 231.483 5.82974 -138.215 PRESSAVG: 4213000 61.1994 9.16427 28.8816 9.16424 -36.8351 -12.3257 28.8816 -12.3257 -2.46003 GPRESSAVG: 4213000 61.6403 9.10705 28.8462 8.09885 -37.0945 -10.8026 25.8809 -14.1739 -2.64511 TIMING: 4213000 CPU: 13319.6, 0.00318908/step Wall: 13319.6, 0.00318908/step, 0.697168 hours remaining, 235.703125 MB of memory in use. ENERGY: 4213000 4034.6993 20515.6744 14385.8549 249.1617 -203000.0235 2451.4579 0.0000 0.0000 52212.3250 -109150.8504 300.0649 -161363.1753 -108785.9877 299.8693 -124.0669 -98.8574 760398.7197 7.3014 7.3002 PRESSURE: 4213200 98.0791 -63.7261 -127.511 -63.7261 -148.163 -93.1132 -127.51 -93.1123 17.3105 GPRESSURE: 4213200 25.5867 -29.1406 -167.446 92.329 -54.5348 -58.406 -54.4245 -7.9739 76.2129 PRESSAVG: 4213200 60.4606 2.79131 1.48611 2.79135 -36.8035 -32.9545 1.48613 -32.9546 -0.159203 GPRESSAVG: 4213200 59.5945 1.99133 1.15129 2.71885 -37.0387 -35.1612 2.02647 -30.6929 0.805717 TIMING: 4213200 CPU: 13320.3, 0.00321345/step Wall: 13320.3, 0.00321345/step, 0.702316 hours remaining, 235.703125 MB of memory in use. ENERGY: 4213200 3965.6575 20424.0521 14475.3400 258.7956 -202629.8344 2176.0910 0.0000 0.0000 52180.2141 -109149.6842 299.8804 -161329.8982 -108781.3110 299.9612 -10.9245 15.7549 762131.7710 7.8326 7.7872 PRESSURE: 4213400 242.064 12.4387 264.42 12.4391 -42.0861 -74.1255 264.419 -74.1258 454.03 GPRESSURE: 4213400 346.91 15.1514 273.383 24.2077 -92.3509 -26.7092 265.333 -5.79343 495.09 PRESSAVG: 4213400 39.6872 8.36773 24.8499 8.3677 21.5547 -45.5721 24.8498 -45.5721 0.565392 GPRESSAVG: 4213400 40.6911 8.22599 26.0325 9.29586 21.4953 -44.8655 26.0196 -45.3355 -0.35065 TIMING: 4213400 CPU: 13320.9, 0.0032098/step Wall: 13320.9, 0.0032098/step, 0.701341 hours remaining, 235.703125 MB of memory in use. ENERGY: 4213400 3960.4373 20613.7584 14457.1505 253.6842 -203069.3216 2513.8429 0.0000 0.0000 52055.9755 -109214.4727 299.1664 -161270.4482 -108848.4505 300.1043 218.0025 249.8828 760618.3687 20.6024 20.6119 PRESSURE: 4213600 -177.45 -8.23778 88.924 -8.23807 -295.593 360.837 88.9235 360.837 56.295 GPRESSURE: 4213600 -115.658 44.8098 107.433 -41.6066 -277.249 370.889 54.3891 196.768 82.6223 PRESSAVG: 4213600 -53.5959 9.65932 -26.1796 9.65937 5.11279 -28.0382 -26.1797 -28.0382 -8.95458 GPRESSAVG: 4213600 -55.2254 10.104 -26.4243 10.1439 6.05762 -28.733 -26.2458 -30.0716 -8.3019 TIMING: 4213600 CPU: 13321.5, 0.00319982/step Wall: 13321.5, 0.00319982/step, 0.698983 hours remaining, 235.703125 MB of memory in use. ENERGY: 4213600 4080.8316 20544.0882 14462.9141 250.1051 -202958.5376 2362.5979 0.0000 0.0000 51964.7536 -109293.2471 298.6422 -161258.0006 -108925.5480 299.6615 -138.9160 -103.4285 760370.0069 -19.1459 -19.1566 PRESSURE: 4213800 19.269 78.6094 -46.8909 78.6101 38.4087 4.09701 -46.8905 4.09654 429.583 GPRESSURE: 4213800 48.0798 89.0965 -23.6911 93.8621 92.2756 55.0365 -64.3486 137.099 438.308 PRESSAVG: 4213800 -73.0394 -20.7281 -1.29134 -20.728 77.5618 -38.1878 -1.29134 -38.1878 -2.9638 GPRESSAVG: 4213800 -72.561 -21.4442 -1.5655 -20.9533 77.5179 -38.1892 -3.1281 -37.1321 -3.67239 TIMING: 4213800 CPU: 13322.2, 0.00318742/step Wall: 13322.2, 0.00318742/step, 0.696098 hours remaining, 235.703125 MB of memory in use. ENERGY: 4213800 4011.6624 20501.9944 14421.2904 214.6302 -203313.9251 2588.3758 0.0000 0.0000 52244.7093 -109331.2626 300.2511 -161575.9720 -108965.9993 300.4592 162.4203 192.8879 759712.5799 0.5195 0.4282 PRESSURE: 4214000 -248.162 -39.7938 545.138 -39.7936 -95.82 121.973 545.138 121.974 -193.703 GPRESSURE: 4214000 -195.262 -102.445 437.545 84.9237 -32.4579 65.8994 719.517 -66.8194 -220.043 PRESSAVG: 4214000 -69.916 58.7356 41.8164 58.7356 -10.0888 5.48377 41.8164 5.4837 16.5899 GPRESSAVG: 4214000 -69.2192 58.9075 41.9806 57.7286 -9.9754 5.38544 43.5608 6.5516 15.9251 TIMING: 4214000 CPU: 13322.8, 0.00320513/step Wall: 13322.8, 0.00320513/step, 0.699787 hours remaining, 235.703125 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: 4214000 3938.7690 20600.8158 14461.8993 227.7397 -202883.0898 2443.5290 0.0000 0.0000 51918.5248 -109291.8122 298.3765 -161210.3371 -108923.7984 300.0586 -179.2283 -149.2543 763917.8873 -21.1383 -21.0898 PRESSURE: 4214200 28.4783 -86.0196 230.141 -86.0196 164.006 120.253 230.141 120.254 49.3027 GPRESSURE: 4214200 86.4542 40.8989 209.885 -151.526 155.048 73.8274 103.762 -95.4302 80.2767 PRESSAVG: 4214200 -53.2036 -24.6105 12.5644 -24.6105 56.3305 -13.936 12.5644 -13.936 5.81648 GPRESSAVG: 4214200 -53.1501 -25.2922 11.9299 -24.9269 55.9457 -13.8575 12.4129 -15.9729 5.80506 TIMING: 4214200 CPU: 13323.5, 0.00320657/step Wall: 13323.5, 0.00320657/step, 0.699924 hours remaining, 235.703125 MB of memory in use. ENERGY: 4214200 4002.1965 20507.3425 14469.9988 237.6323 -203339.6776 2552.7576 0.0000 0.0000 52090.2517 -109479.4981 299.3634 -161569.7498 -109116.1438 299.7109 80.5957 107.2596 763128.5733 2.9811 2.8669 PRESSURE: 4214400 369.714 -110.746 -8.13323 -110.747 381.844 -7.60683 -8.13374 -7.608 187.777 GPRESSURE: 4214400 314.941 -105.661 40.9381 -100.349 481.456 21.3905 -57.4577 -49.5052 246.239 PRESSAVG: 4214400 -47.1043 -6.64478 26.5003 -6.64471 72.506 -50.0958 26.5004 -50.0959 9.98074 GPRESSAVG: 4214400 -47.3829 -6.40839 26.0585 -5.71428 72.853 -50.2955 25.355 -48.5302 9.61109 TIMING: 4214400 CPU: 13324.1, 0.00319678/step Wall: 13324.1, 0.00319678/step, 0.697608 hours remaining, 235.703125 MB of memory in use. ENERGY: 4214400 3984.1764 20592.8901 14455.8452 237.5154 -203808.8471 3096.4683 0.0000 0.0000 52188.8085 -109253.1432 299.9298 -161441.9517 -108892.8579 300.0750 313.1118 347.5455 762600.8018 11.7941 11.6937 PRESSURE: 4214600 206.234 -10.5789 14.7839 -10.5785 100.293 -122.763 14.7843 -122.764 -331.047 GPRESSURE: 4214600 204.49 -94.1759 12.9468 100.461 181.295 -190.37 4.92273 -16.6118 -334.027 PRESSAVG: 4214600 -49.6753 -12.169 39.8996 -12.1689 65.7742 -4.17294 39.8995 -4.17299 15.1778 GPRESSAVG: 4214600 -50.7877 -12.2201 41.3694 -11.7896 65.2685 -4.23991 40.4119 -5.07316 15.8963 TIMING: 4214600 CPU: 13324.7, 0.00318366/step Wall: 13324.7, 0.00318366/step, 0.694568 hours remaining, 235.703125 MB of memory in use. ENERGY: 4214600 4006.7317 20693.7914 14427.1493 245.8942 -203654.0010 2702.9591 0.0000 0.0000 52120.5471 -109456.9284 299.5375 -161577.4754 -109102.9737 299.6078 -8.1733 17.2528 762399.9077 10.4255 10.1257 PRESSURE: 4214800 -119.393 -218.792 -57.531 -218.792 -191.007 -8.5042 -57.5316 -8.50413 -104.432 GPRESSURE: 4214800 -100.009 -172.666 -59.7307 -148.634 -149.046 -73.3695 -51.3047 2.83609 -76.7049 PRESSAVG: 4214800 -24.9189 -17.9373 9.01316 -17.9373 38.8553 -1.94454 9.01315 -1.94459 3.20705 GPRESSAVG: 4214800 -22.533 -19.053 8.13833 -19.3262 38.3745 -2.07462 9.02722 -1.73072 1.4844 TIMING: 4214800 CPU: 13325.4, 0.00320303/step Wall: 13325.4, 0.00320303/step, 0.698616 hours remaining, 235.703125 MB of memory in use. ENERGY: 4214800 4054.7502 20586.8564 14449.1254 241.4051 -203254.6345 2455.2468 0.0000 0.0000 52018.7332 -109448.5173 298.9524 -161467.2505 -109096.7418 300.1513 -138.2775 -108.5865 762857.2632 5.7145 5.7753 PRESSURE: 4215000 -136.028 155.901 -185.779 155.901 -1.96621 106.332 -185.779 106.331 245.634 GPRESSURE: 4215000 -105.952 51.4444 -72.3782 165.271 50.3098 13.4253 -225.14 178.405 259.905 PRESSAVG: 4215000 -63.3689 -11.4133 -20.4909 -11.4134 52.3767 -20.0643 -20.491 -20.0643 -2.77752 GPRESSAVG: 4215000 -66.1309 -10.5008 -19.5573 -10.8085 53.7097 -19.6487 -19.9044 -21.4306 -1.7771 TIMING: 4215000 CPU: 13326, 0.00317336/step Wall: 13326, 0.00317336/step, 0.691968 hours remaining, 235.703125 MB of memory in use. ENERGY: 4215000 3922.2234 20516.6834 14588.7967 235.9384 -203455.8556 2588.6385 0.0000 0.0000 52120.4897 -109483.0854 299.5372 -161603.5751 -109128.1453 299.6913 35.8798 68.0873 761540.4063 -4.5899 -4.7327 PRESSURE: 4215200 -255.931 -32.8776 115.654 -32.8772 -75.4079 -113.044 115.654 -113.044 -370.828 GPRESSURE: 4215200 -181.471 -66.2716 211.374 -131.532 -95.6773 -84.8347 81.3456 -0.204809 -353.82 PRESSAVG: 4215200 -84.5896 -8.61257 2.09402 -8.61261 58.9938 -1.4466 2.09403 -1.44661 -4.335 GPRESSAVG: 4215200 -84.4921 -7.54673 0.991535 -8.87707 58.2749 -1.28029 1.10767 0.56786 -3.67106 TIMING: 4215200 CPU: 13326.7, 0.00318019/step Wall: 13326.7, 0.00318019/step, 0.693282 hours remaining, 235.703125 MB of memory in use. ENERGY: 4215200 3999.7677 20385.3481 14453.8747 268.6632 -203076.1247 2456.5124 0.0000 0.0000 51995.1184 -109516.8402 298.8167 -161511.9586 -109145.1119 299.3693 -234.0559 -210.3228 761948.5075 -9.9769 -9.9628 PRESSURE: 4215400 -21.0403 254.548 270.224 254.548 323.988 -88.4988 270.224 -88.4992 -136.738 GPRESSURE: 4215400 27.9212 101.189 111.582 218.027 289.8 -97.4073 226.76 42.9192 -57.2435 PRESSAVG: 4215400 -63.2888 -21.0168 -27.302 -21.0168 61.6669 -40.7248 -27.302 -40.7248 6.85701 GPRESSAVG: 4215400 -62.5805 -21.6409 -29.5983 -21.176 61.7984 -38.9616 -25.3956 -39.3478 5.93736 TIMING: 4215400 CPU: 13327.3, 0.00317451/step Wall: 13327.3, 0.00317451/step, 0.691867 hours remaining, 235.703125 MB of memory in use. ENERGY: 4215400 3986.1929 20376.4267 14412.4277 248.2139 -203436.4103 2608.8862 0.0000 0.0000 52362.1395 -109442.1234 300.9259 -161804.2629 -109074.8686 299.4022 55.4032 86.8260 761613.6500 1.7451 1.7184 PRESSURE: 4215600 -15.4061 92.4395 -330.277 92.4399 401.05 311.66 -330.277 311.661 -20.2391 GPRESSURE: 4215600 -13.538 107.177 -277.896 102.702 533.203 299.938 -265.856 340 -55.6594 PRESSAVG: 4215600 -23.8948 -24.4859 10.0742 -24.4859 71.5159 0.897728 10.0741 0.897752 6.32678 GPRESSAVG: 4215600 -23.2863 -24.295 12.8178 -25.0973 71.4824 -0.822568 7.54495 -1.71562 5.89372 TIMING: 4215600 CPU: 13327.9, 0.00318866/step Wall: 13327.9, 0.00318866/step, 0.694773 hours remaining, 235.703125 MB of memory in use. ENERGY: 4215600 3973.4339 20523.5682 14428.2028 229.0437 -203795.2161 2885.4642 0.0000 0.0000 52138.8964 -109616.6069 299.6430 -161755.5033 -109246.5873 299.0619 121.8017 154.6685 760319.1301 17.9826 18.0299 PRESSURE: 4215800 -40.1041 26.6233 -354.54 26.6226 -62.9695 161.447 -354.539 161.447 188.093 GPRESSURE: 4215800 -14.2138 44.3461 -318.658 26.6389 -81.2362 86.0664 -179.209 128.804 252.316 PRESSAVG: 4215800 -46.0696 -3.44104 -18.4424 -3.44105 38.2669 27.1384 -18.4423 27.1383 4.22293 GPRESSAVG: 4215800 -47.4319 -4.50146 -18.2707 -3.35349 38.9858 24.4169 -17.402 27.7654 4.26003 TIMING: 4215800 CPU: 13328.6, 0.00319947/step Wall: 13328.6, 0.00319947/step, 0.69695 hours remaining, 235.703125 MB of memory in use. ENERGY: 4215800 4011.3168 20534.8520 14485.7109 239.1901 -203048.1687 2319.9373 0.0000 0.0000 51830.9420 -109626.2197 297.8731 -161457.1617 -109273.2103 299.0351 28.3398 52.2887 761485.3519 -1.1933 -1.3954 PRESSURE: 4216000 -424.541 -153.175 -58.9586 -153.176 264.755 -80.8351 -58.9597 -80.8374 -136.131 GPRESSURE: 4216000 -307.694 -92.279 -81.8974 -66.0309 234.942 -5.85171 -25.2381 4.34599 -153.048 PRESSAVG: 4216000 -71.5998 46.2487 -5.01083 46.2488 64.1511 -8.04566 -5.0109 -8.04571 14.4876 GPRESSAVG: 4216000 -69.5756 46.6285 -5.03861 47.5247 60.7991 -6.63115 -4.46559 -6.04399 15.4423 TIMING: 4216000 CPU: 13329.2, 0.00320108/step Wall: 13329.2, 0.00320108/step, 0.697125 hours remaining, 235.703125 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: 4216000 4005.1010 20571.0695 14443.2990 243.0023 -203423.5881 2584.3624 0.0000 0.0000 52156.3529 -109420.4010 299.7433 -161576.7539 -109061.4424 299.3816 -98.6391 -75.2669 762650.4236 2.3463 2.2219 PRESSURE: 4216200 -102.754 223.56 -90.7931 223.559 -193.658 -224.423 -90.7931 -224.423 -333.585 GPRESSURE: 4216200 -119.292 192.887 -132.49 186.761 -159.944 -202.388 -43.522 -110.137 -250.938 PRESSAVG: 4216200 -35.6654 -6.50649 14.2544 -6.50655 70.6575 16.5809 14.2544 16.5809 -17.1294 GPRESSAVG: 4216200 -37.7733 -7.76778 14.3636 -5.8975 72.8466 18.426 12.3801 14.0263 -17.5499 TIMING: 4216200 CPU: 13329.8, 0.00318378/step Wall: 13329.8, 0.00318378/step, 0.69318 hours remaining, 235.703125 MB of memory in use. ENERGY: 4216200 3931.6012 20624.9525 14433.4565 249.5913 -203415.0278 2615.6978 0.0000 0.0000 52099.9708 -109459.7577 299.4192 -161559.7285 -109102.0599 299.8554 -209.9992 -176.7247 762701.2384 5.9542 5.8411 LDB: ============= START OF LOAD BALANCING ============== 13342.4 LDB: ============== END OF LOAD BALANCING =============== 13342.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13342.4 LDB: ============= START OF LOAD BALANCING ============== 13342.7 LDB: Largest compute 7075 load 0.033636 is 17.2% of average load 0.195580 LDB: Average compute 0.004394 is 2.2% of average load 0.195580 LDB: TIME 13342.7 LOAD: AVG 0.19558 MAX 0.21566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.785 MB LDB: TIME 13342.7 LOAD: AVG 0.19558 MAX 0.21566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.785 MB LDB: TIME 13342.7 LOAD: AVG 0.19558 MAX 0.21566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.785 MB LDB: ============== END OF LOAD BALANCING =============== 13342.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13342.7 PRESSURE: 4216400 -198.286 -62.5491 -58.1332 -62.548 -131.518 -184.886 -58.1332 -184.886 -472.759 GPRESSURE: 4216400 -149.161 -93.934 -9.32543 -109.568 -64.6438 -154.701 -138.992 -106.598 -505.267 PRESSAVG: 4216400 -35.8166 -20.3382 -8.53737 -20.3382 35.4858 -20.8704 -8.53738 -20.8704 1.42937 GPRESSAVG: 4216400 -35.9458 -19.2599 -8.83731 -22.2928 35.1854 -21.9802 -6.75369 -19.6519 1.96818 TIMING: 4216400 CPU: 13330.5, 0.00325564/step Wall: 13330.5, 0.00325564/step, 0.708645 hours remaining, 234.882812 MB of memory in use. ENERGY: 4216400 3933.6285 20430.0989 14452.6983 257.8410 -203175.8500 2484.7522 0.0000 0.0000 52209.7235 -109407.1075 300.0500 -161616.8311 -109026.5777 299.3818 -267.5210 -239.6907 763438.8012 0.3662 0.4026 PRESSURE: 4216600 20.8545 370.745 -75.618 370.745 -227.376 -28.9979 -75.6185 -28.9989 60.4625 GPRESSURE: 4216600 18.9993 305.824 -122.435 326.921 -205.743 84.3329 -8.45922 -40.6106 121.627 PRESSAVG: 4216600 -6.79257 -27.7197 -16.2469 -27.7197 0.213744 -16.3237 -16.247 -16.3236 -7.39143 GPRESSAVG: 4216600 -6.05642 -27.9492 -16.0414 -28.7318 -0.35534 -16.8958 -17.7967 -15.743 -7.83658 TIMING: 4216600 CPU: 13331.1, 0.00320243/step Wall: 13331.1, 0.00320243/step, 0.696884 hours remaining, 234.882812 MB of memory in use. ENERGY: 4216600 4015.3034 20536.8747 14514.4126 260.8840 -203671.5705 2590.6628 0.0000 0.0000 52312.1329 -109441.3002 300.6385 -161753.4331 -109079.2599 299.5068 -48.6863 -21.7056 761083.9617 -4.6568 -4.7494 PRESSURE: 4216800 177.533 -67.8924 -41.4275 -67.8914 -247.78 225.833 -41.4283 225.834 213.636 GPRESSURE: 4216800 208.586 -84.8844 -20.1888 62.0087 -188.2 215.839 113.02 114.119 214.125 PRESSAVG: 4216800 10.6724 -20.4055 -40.7477 -20.4055 -1.23679 52.5962 -40.7476 52.5963 16.6777 GPRESSAVG: 4216800 9.52262 -20.6112 -40.2655 -18.4782 -1.27007 54.1263 -39.3176 51.9826 17.5866 TIMING: 4216800 CPU: 13331.8, 0.0032075/step Wall: 13331.8, 0.0032075/step, 0.69781 hours remaining, 234.882812 MB of memory in use. ENERGY: 4216800 4012.4141 20493.1160 14533.9246 252.6024 -203553.7791 2617.1528 0.0000 0.0000 51940.2184 -109704.3509 298.5011 -161644.5693 -109347.8824 299.1010 47.7965 78.1702 761292.4400 8.7045 8.6130 PRESSURE: 4217000 66.0069 -27.7393 156.782 -27.7384 -4.50831 105.724 156.782 105.723 184.474 GPRESSURE: 4217000 60.2637 -140.527 87.7054 -69.5799 64.1093 203.956 105.304 113.88 201.903 PRESSAVG: 4217000 -59.6003 -18.3767 47.1414 -18.3767 57.6493 61.8542 47.1413 61.8542 1.1724 GPRESSAVG: 4217000 -58.3178 -19.1358 47.6487 -18.484 56.9259 61.2168 46.6153 58.4989 1.32943 TIMING: 4217000 CPU: 13332.4, 0.00317679/step Wall: 13332.4, 0.00317679/step, 0.690951 hours remaining, 235.125000 MB of memory in use. ENERGY: 4217000 3950.8225 20666.9960 14454.7721 255.7375 -203741.9339 2709.6781 0.0000 0.0000 52019.6962 -109684.2316 298.9579 -161703.9278 -109332.1989 299.1952 81.9907 108.7586 761344.1051 -0.2595 -0.0208 PRESSURE: 4217200 47.6845 -337.488 -114.397 -337.488 -297.863 -111.902 -114.396 -111.902 -129.587 GPRESSURE: 4217200 31.1513 -205.677 -52.649 -215.446 -180.941 -133.043 -168.243 -42.9413 -149.573 PRESSAVG: 4217200 20.5107 -47.4098 -30.9839 -47.4098 -16.3959 55.8205 -30.984 55.8205 -1.11547 GPRESSAVG: 4217200 18.3111 -44.7084 -32.3612 -49.2598 -14.3908 54.9534 -31.1122 58.6586 -0.967197 TIMING: 4217200 CPU: 13333, 0.00317862/step Wall: 13333, 0.00317862/step, 0.691174 hours remaining, 235.125000 MB of memory in use. ENERGY: 4217200 4014.9627 20460.0130 14507.1102 256.7246 -203218.4480 2314.7959 0.0000 0.0000 52036.2322 -109628.6094 299.0529 -161664.8416 -109257.7824 299.1786 -126.5885 -99.7875 760833.5842 0.9998 0.9844 PRESSURE: 4217400 30.0052 -4.20536 71.7621 -4.20604 151.25 -56.4326 71.7623 -56.432 221.301 GPRESSURE: 4217400 64.0406 -71.2163 59.8422 -31.1885 120.233 -106.206 90.5868 -102.704 273.557 PRESSAVG: 4217400 -14.2814 -57.5849 20.1861 -57.5848 19.8562 -17.3308 20.186 -17.3309 -8.80662 GPRESSAVG: 4217400 -11.6237 -57.8867 21.8321 -57.0518 18.1435 -17.3094 20.0143 -17.4251 -9.58037 TIMING: 4217400 CPU: 13333.7, 0.00321485/step Wall: 13333.7, 0.00321485/step, 0.698872 hours remaining, 235.125000 MB of memory in use. ENERGY: 4217400 3993.0079 20753.0482 14508.1055 252.7297 -203176.4694 2405.5297 0.0000 0.0000 51899.6548 -109364.3937 298.2680 -161264.0484 -109003.7350 299.2380 134.1855 152.6102 762096.9566 -1.0773 -1.0202 PRESSURE: 4217600 -80.4097 -70.9959 162.516 -70.9955 38.6298 175.691 162.516 175.693 -210.738 GPRESSURE: 4217600 -16.0086 23.9326 54.2497 37.4446 33.9046 218.394 188.368 79.0867 -176.104 PRESSAVG: 4217600 -15.1577 -30.1089 -23.3904 -30.1089 30.1465 1.90068 -23.3905 1.90072 9.07949 GPRESSAVG: 4217600 -15.0806 -31.9019 -25.3134 -28.648 31.5704 2.98847 -22.167 0.509352 8.18615 TIMING: 4217600 CPU: 13334.3, 0.00322342/step Wall: 13334.3, 0.00322342/step, 0.700557 hours remaining, 235.125000 MB of memory in use. ENERGY: 4217600 3958.1098 20478.6237 14482.0498 258.1799 -203204.0741 2345.4471 0.0000 0.0000 52046.7684 -109634.8955 299.1135 -161681.6638 -109271.7552 298.9494 -84.1728 -52.7359 761554.1857 8.0227 8.2253 PRESSURE: 4217800 39.6035 -3.28983 -148.537 -3.29113 -278.216 56.6442 -148.536 56.6447 -274.401 GPRESSURE: 4217800 -6.66823 -69.1115 -152.062 42.2961 -239.515 54.654 -60.6941 98.4007 -189.594 PRESSAVG: 4217800 30.6739 -28.4646 7.48421 -28.4647 -29.435 -35.9661 7.48428 -35.9661 -14.3086 GPRESSAVG: 4217800 29.7737 -26.9908 8.59844 -29.5701 -29.9113 -36.2063 8.03753 -34.804 -13.1458 TIMING: 4217800 CPU: 13335, 0.00319773/step Wall: 13335, 0.00319773/step, 0.694796 hours remaining, 235.125000 MB of memory in use. ENERGY: 4217800 4013.9385 20615.1496 14483.9545 262.4469 -203244.5708 2288.3196 0.0000 0.0000 51807.2875 -109773.4741 297.7372 -161580.7616 -109413.2769 298.3865 -171.0042 -145.2592 759935.7012 -4.3566 -4.4278 PRESSURE: 4218000 170.629 80.1778 -127.727 80.1793 272.303 287.335 -127.728 287.335 202.971 GPRESSURE: 4218000 309.369 63.5694 -122.21 72.2348 212.762 286.582 -76.2015 99.0466 196.758 PRESSAVG: 4218000 2.68953 -9.31066 11.5888 -9.31062 8.99219 -15.16 11.5888 -15.1601 -8.9605 GPRESSAVG: 4218000 2.99538 -9.18666 12.0443 -9.76687 9.19518 -16.1659 11.4462 -17.4668 -9.06175 TIMING: 4218000 CPU: 13335.6, 0.00318675/step Wall: 13335.6, 0.00318675/step, 0.692233 hours remaining, 235.125000 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: 4218000 3982.1582 20628.5850 14490.0314 230.8786 -203835.0699 2747.0523 0.0000 0.0000 52162.4124 -109593.9519 299.7781 -161756.3643 -109229.2709 298.7826 215.3010 239.6296 759602.8619 0.9071 1.0429 PRESSURE: 4218200 195.403 130.816 -88.2178 130.816 20.2921 -115.116 -88.2179 -115.116 -182.535 GPRESSURE: 4218200 237.079 -83.5417 -149.181 179.91 47.8229 -178.342 -88.2318 111.542 -164.766 PRESSAVG: 4218200 20.286 -25.6409 -26.1384 -25.6409 16.0918 -34.6644 -26.1383 -34.6643 20.0694 GPRESSAVG: 4218200 18.8621 -27.738 -27.715 -24.0655 16.0698 -33.7063 -24.9644 -33.4646 21.184 TIMING: 4218200 CPU: 13336.3, 0.00320482/step Wall: 13336.3, 0.00320482/step, 0.69598 hours remaining, 235.125000 MB of memory in use. ENERGY: 4218200 3988.0598 20466.2114 14405.6193 237.3495 -203344.2458 2577.9748 0.0000 0.0000 52338.3614 -109330.6698 300.7893 -161669.0312 -108969.8585 299.4566 11.0535 40.0452 761065.6258 18.8157 18.7053 PRESSURE: 4218400 -501.764 59.6215 74.8956 59.6218 167.251 -159.565 74.8956 -159.564 -37.9436 GPRESSURE: 4218400 -481.646 25.3409 137.154 154.849 246.671 -165.587 20.0495 -95.6692 -71.5869 PRESSAVG: 4218400 -26.6988 -25.3477 -30.1917 -25.3477 7.52796 -12.5909 -30.1916 -12.5909 -4.28223 GPRESSAVG: 4218400 -26.2523 -23.5723 -28.9547 -22.677 8.45607 -14.0838 -31.4677 -12.2612 -6.17005 TIMING: 4218400 CPU: 13336.9, 0.00319542/step Wall: 13336.9, 0.00319542/step, 0.693762 hours remaining, 235.125000 MB of memory in use. ENERGY: 4218400 4022.9360 20502.7866 14464.3783 254.5865 -203119.4402 2339.7954 0.0000 0.0000 51921.3371 -109613.6202 298.3926 -161534.9573 -109254.0535 299.2253 -124.1522 -102.1871 760462.6598 -7.8177 -7.9888 PRESSURE: 4218600 -169.343 122.094 -110.121 122.094 2.9463 -298.316 -110.122 -298.315 -182.42 GPRESSURE: 4218600 -91.1437 226.387 -18.5256 55.4906 -5.43608 -328.774 -139.987 -189.962 -185.536 PRESSAVG: 4218600 31.2902 -34.4452 -2.78314 -34.4454 25.5666 -12.4011 -2.78319 -12.4012 -11.3311 GPRESSAVG: 4218600 31.9696 -34.2558 -2.99555 -36.9456 24.9146 -11.3261 -3.38953 -12.596 -11.4588 TIMING: 4218600 CPU: 13337.5, 0.00319659/step Wall: 13337.5, 0.00319659/step, 0.693837 hours remaining, 235.125000 MB of memory in use. ENERGY: 4218600 3967.0070 20592.6379 14481.7428 268.7413 -202959.8789 2372.9720 0.0000 0.0000 51892.5449 -109384.2330 298.2272 -161276.7779 -109028.9240 298.8838 -116.2724 -94.0387 763300.9471 15.1752 15.1418 PRESSURE: 4218800 -178.101 -186.027 -44.2437 -186.028 -0.426666 -143.814 -44.2435 -143.814 -337.343 GPRESSURE: 4218800 -98.073 -260.925 -26.7191 -243.941 -13.4442 -102.291 -72.0727 -166.007 -309.206 PRESSAVG: 4218800 -18.411 -10.3153 -18.6253 -10.3153 45.1468 -83.0081 -18.6253 -83.0081 -0.746488 GPRESSAVG: 4218800 -18.5006 -10.3699 -17.5478 -10.7527 45.314 -83.2539 -18.0502 -83.0098 -0.719996 TIMING: 4218800 CPU: 13338.2, 0.00319586/step Wall: 13338.2, 0.00319586/step, 0.693502 hours remaining, 235.125000 MB of memory in use. ENERGY: 4218800 4013.4373 20583.2325 14442.0634 238.5370 -203371.6251 2789.5875 0.0000 0.0000 52137.5243 -109167.2431 299.6351 -161304.7673 -108800.8608 299.5701 -171.9569 -140.2410 763321.1454 8.6631 8.6978 PRESSURE: 4219000 69.9365 -189.635 -12.4057 -189.636 132.805 -153.348 -12.4061 -153.348 796.704 GPRESSURE: 4219000 173.49 -234.962 -103.031 -238.054 98.9574 -161.903 120.869 13.616 803.358 PRESSAVG: 4219000 -43.4965 -54.4087 11.7944 -54.4087 27.3799 21.2562 11.7944 21.2562 4.7898 GPRESSAVG: 4219000 -44.0206 -55.6379 10.8195 -54.1879 27.9756 22.0678 12.3419 21.1012 4.94525 TIMING: 4219000 CPU: 13338.8, 0.00316623/step Wall: 13338.8, 0.00316623/step, 0.686895 hours remaining, 235.125000 MB of memory in use. ENERGY: 4219000 3936.0553 20761.5803 14450.8972 248.7196 -203932.1645 2985.2768 0.0000 0.0000 52359.8828 -109189.7524 300.9130 -161549.6351 -108827.3694 300.4441 333.1483 358.6018 760623.2337 -3.7756 -3.6999 PRESSURE: 4219200 12.7623 9.45844 -155.889 9.45973 -85.2837 67.4768 -155.89 67.4779 -433.433 GPRESSURE: 4219200 -12.5327 -67.3871 -171.224 50.2669 -108.553 64.8785 -134.112 17.4614 -303.469 PRESSAVG: 4219200 61.73 -32.6143 -42.2992 -32.6142 -60.3237 -38.6174 -42.2992 -38.6173 -4.43522 GPRESSAVG: 4219200 62.0171 -34.8885 -41.2849 -31.3959 -61.0148 -39.2352 -41.5767 -34.9494 -3.62866 TIMING: 4219200 CPU: 13339.4, 0.003181/step Wall: 13339.4, 0.003181/step, 0.689924 hours remaining, 235.125000 MB of memory in use. ENERGY: 4219200 4080.9803 20516.4991 14424.9957 238.0292 -203469.6215 2724.8529 0.0000 0.0000 52168.9732 -109315.2912 299.8158 -161484.2645 -108948.1151 299.9798 -168.6513 -141.5184 762032.7341 -1.0096 -0.8754 PRESSURE: 4219400 -121.16 -109.331 -176.33 -109.331 -130.734 -2.68405 -176.329 -2.68253 40.3177 GPRESSURE: 4219400 -41.1051 -152.173 -160.639 -78.6196 -160.086 -13.0159 -188.113 22.1634 84.3276 PRESSAVG: 4219400 44.1084 -21.5232 -19.3637 -21.5232 -32.9441 -13.3903 -19.3637 -13.3903 18.707 GPRESSAVG: 4219400 45.1964 -19.3074 -18.8642 -23.0658 -32.9927 -13.7974 -19.769 -17.4985 17.65 TIMING: 4219400 CPU: 13340.1, 0.00317999/step Wall: 13340.1, 0.00317999/step, 0.689527 hours remaining, 235.125000 MB of memory in use. ENERGY: 4219400 3952.4264 20596.5744 14553.4160 257.1801 -203384.2445 2490.7689 0.0000 0.0000 52174.0000 -109359.8786 299.8447 -161533.8786 -109004.4410 299.8857 -70.5255 -38.9546 761157.8620 9.9571 9.9512 PRESSURE: 4219600 80.8783 -123.52 -28.6028 -123.52 -317.63 -147.595 -28.6024 -147.594 -569.517 GPRESSURE: 4219600 165.575 -124.412 12.1846 -230.439 -270.125 -207.606 -166.054 -122.876 -625.003 PRESSAVG: 4219600 29.0305 -33.2138 -27.85 -33.2139 8.10654 -7.38921 -27.8499 -7.38919 -0.377407 GPRESSAVG: 4219600 30.1199 -32.1464 -30.0275 -31.8359 7.47167 -6.54327 -27.926 -7.4639 -1.04267 TIMING: 4219600 CPU: 13340.7, 0.00318733/step Wall: 13340.7, 0.00318733/step, 0.690942 hours remaining, 235.125000 MB of memory in use. ENERGY: 4219600 4096.0911 20436.0644 14485.6029 228.3052 -203594.3581 2781.9600 0.0000 0.0000 52159.7741 -109406.5603 299.7629 -161566.3344 -109043.1228 299.7717 -268.7561 -243.1845 760308.5371 12.2532 12.1830 PRESSURE: 4219800 -341.87 -192.682 -150.635 -192.682 46.3329 22.3681 -150.635 22.3692 -26.4105 GPRESSURE: 4219800 -284.548 -128.525 -183.07 -127.615 83.7187 20.1322 -172.48 -0.558224 -37.0971 PRESSAVG: 4219800 11.396 -80.9345 -69.7401 -80.9345 60.3676 -25.3034 -69.7401 -25.3032 13.6483 GPRESSAVG: 4219800 9.32185 -80.8694 -67.8723 -81.2293 60.8266 -24.3503 -68.9426 -25.9937 15.0583 TIMING: 4219800 CPU: 13341.4, 0.00319379/step Wall: 13341.4, 0.00319379/step, 0.692165 hours remaining, 235.125000 MB of memory in use. ENERGY: 4219800 4016.6434 20470.4189 14448.1306 253.2079 -202864.9277 2295.1378 0.0000 0.0000 52050.6622 -109330.7267 299.1359 -161381.3890 -108966.8586 299.8220 -107.3159 -79.3089 758954.6471 28.4706 28.4023 PRESSURE: 4220000 -86.5278 11.2551 -225.366 11.2544 -469.663 132.017 -225.366 132.017 -261.49 GPRESSURE: 4220000 -23.2076 -123.073 -145.574 -98.4304 -381.187 130.535 -150.299 -54.0535 -316.641 PRESSAVG: 4220000 -2.16053 9.7845 12.7369 9.78441 13.3327 -24.7661 12.7369 -24.7662 7.51065 GPRESSAVG: 4220000 -2.4481 9.13831 10.9915 10.621 13.3063 -25.6746 11.4721 -22.9323 7.23254 TIMING: 4220000 CPU: 13342, 0.0032005/step Wall: 13342, 0.0032005/step, 0.693442 hours remaining, 235.125000 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: 4220000 4007.4475 20404.6275 14573.7776 256.9178 -202681.3468 2354.3180 0.0000 0.0000 51858.1097 -109226.1487 298.0293 -161084.2584 -108855.3665 299.5970 -272.5602 -240.3451 761646.0030 6.2276 6.0303 PRESSURE: 4220200 228.681 42.8149 -61.9021 42.8149 14.8564 57.0763 -61.9022 57.0761 -155.66 GPRESSURE: 4220200 247.123 89.8246 -69.1069 53.5285 87.2148 3.56371 6.60788 -53.2332 -146.499 PRESSAVG: 4220200 2.60962 18.5898 9.83489 18.5899 -3.65314 -29.6212 9.83491 -29.6213 -11.3859 GPRESSAVG: 4220200 3.08036 18.6356 12.1738 17.8241 -4.4772 -30.4893 9.95937 -29.1039 -10.9806 TIMING: 4220200 CPU: 13342.6, 0.00319971/step Wall: 13342.6, 0.00319971/step, 0.693093 hours remaining, 235.125000 MB of memory in use. ENERGY: 4220200 4019.2074 20537.3842 14520.6753 252.2896 -203097.4231 2496.1989 0.0000 0.0000 52026.2892 -109245.3784 298.9958 -161271.6676 -108891.9716 299.6702 29.2927 62.6128 761995.4257 -4.1431 -4.1258 LDB: ============= START OF LOAD BALANCING ============== 13355.2 LDB: ============== END OF LOAD BALANCING =============== 13355.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13355.2 LDB: ============= START OF LOAD BALANCING ============== 13355.5 LDB: Largest compute 7067 load 0.034734 is 17.8% of average load 0.195604 LDB: Average compute 0.004410 is 2.3% of average load 0.195604 LDB: TIME 13355.5 LOAD: AVG 0.195604 MAX 0.215625 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 13355.5 LOAD: AVG 0.195604 MAX 0.215625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: TIME 13355.5 LOAD: AVG 0.195604 MAX 0.215625 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: ============== END OF LOAD BALANCING =============== 13355.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13355.5 PRESSURE: 4220400 33.9982 86.7633 -225.368 86.7635 -326.183 18.8199 -225.368 18.8205 57.1796 GPRESSURE: 4220400 -1.75817 160.368 -224.575 -28.2654 -224.526 163.59 -135.549 -51.0396 60.6157 PRESSAVG: 4220400 -21.9023 -34.1538 27.3308 -34.1539 -1.98617 -65.8572 27.3308 -65.8572 8.37417 GPRESSAVG: 4220400 -22.9008 -33.32 24.0667 -34.4694 -0.0340104 -64.5455 27.2318 -66.5911 7.37442 TIMING: 4220400 CPU: 13343.3, 0.00326242/step Wall: 13343.3, 0.00326242/step, 0.706496 hours remaining, 234.996094 MB of memory in use. ENERGY: 4220400 3927.1687 20570.6414 14480.3254 241.3300 -203128.0889 2558.3626 0.0000 0.0000 52152.0940 -109198.1668 299.7188 -161350.2607 -108835.0214 299.5077 -78.3350 -55.2227 762814.3256 -5.1714 -5.1868 PRESSURE: 4220600 -146.796 41.3111 -31.5538 41.311 -1.64289 17.1947 -31.5543 17.1943 32.2991 GPRESSURE: 4220600 -68.605 106.883 -65.9434 42.3466 36.6814 -49.5822 -43.7496 7.16374 1.87955 PRESSAVG: 4220600 -27.2532 -17.7226 9.68911 -17.7226 4.1596 -5.54349 9.68914 -5.54343 12.8562 GPRESSAVG: 4220600 -26.7652 -17.6511 8.66038 -17.5186 4.42494 -5.9589 8.98055 -5.62299 12.3666 TIMING: 4220600 CPU: 13343.9, 0.00318954/step Wall: 13343.9, 0.00318954/step, 0.690535 hours remaining, 234.996094 MB of memory in use. ENERGY: 4220600 4050.7602 20522.7213 14531.3038 247.8248 -203291.1672 2493.4591 0.0000 0.0000 52141.0291 -109304.0688 299.6552 -161445.0979 -108943.5253 299.6613 -38.7134 -10.0147 760046.7861 -3.4125 -3.3246 PRESSURE: 4220800 -102.665 -48.4477 -12.0329 -48.4476 -255.999 -128.875 -12.0329 -128.875 25.7123 GPRESSURE: 4220800 -47.0038 -117.997 -66.7273 -79.5509 -193.224 -182.384 4.39199 -81.1124 -17.9055 PRESSAVG: 4220800 6.13182 -23.1117 44.7197 -23.1116 -12.645 -49.7242 44.7197 -49.7242 20.0105 GPRESSAVG: 4220800 4.89305 -23.8126 46.2043 -21.7432 -12.7866 -49.0697 47.1649 -48.1147 20.9459 TIMING: 4220800 CPU: 13344.6, 0.00320085/step Wall: 13344.6, 0.00320085/step, 0.692807 hours remaining, 234.996094 MB of memory in use. ENERGY: 4220800 4074.5623 20559.7760 14456.3572 230.1707 -203595.1014 2737.8170 0.0000 0.0000 52040.3924 -109496.0257 299.0769 -161536.4181 -109147.3763 299.4127 -110.9839 -86.0443 762444.3794 4.4991 4.3508 PRESSURE: 4221000 -79.0117 94.8242 146.389 94.825 -61.0777 -34.1723 146.388 -34.1731 -281.682 GPRESSURE: 4221000 -39.2493 150.626 149.554 24.1272 -13.3151 -148.143 184.635 -52.0574 -283.914 PRESSAVG: 4221000 26.4713 -28.1059 -28.0614 -28.1058 -28.6198 -34.7058 -28.0614 -34.7058 2.74987 GPRESSAVG: 4221000 27.8976 -29.0498 -26.5186 -29.924 -28.0867 -34.976 -31.7216 -37.5229 1.20675 TIMING: 4221000 CPU: 13345.2, 0.00321752/step Wall: 13345.2, 0.00321752/step, 0.696236 hours remaining, 234.996094 MB of memory in use. ENERGY: 4221000 4017.4006 20423.1059 14428.0168 233.7370 -203363.0799 2836.6626 0.0000 0.0000 51805.2096 -109618.9474 297.7253 -161424.1570 -109252.9872 299.2066 -140.5905 -112.1596 761533.9224 0.2005 0.3392 PRESSURE: 4221200 159.444 53.7149 -143.293 53.7152 -227.677 186.835 -143.294 186.835 389.163 GPRESSURE: 4221200 94.9161 40.2827 -143.18 168.123 -163.769 188.006 -113.94 95.7292 488.142 PRESSAVG: 4221200 6.70113 -23.9564 -32.6656 -23.9564 -33.3807 -52.3456 -32.6656 -52.3456 -1.84093 GPRESSAVG: 4221200 5.54072 -24.4287 -32.9458 -23.0845 -35.3029 -53.2247 -30.4232 -48.9889 0.975221 TIMING: 4221200 CPU: 13345.8, 0.00320529/step Wall: 13345.8, 0.00320529/step, 0.693412 hours remaining, 234.996094 MB of memory in use. ENERGY: 4221200 4048.1058 20454.6462 14380.6543 242.5739 -203579.7321 2581.0273 0.0000 0.0000 52324.4872 -109548.2372 300.7095 -161872.7244 -109182.0750 299.0380 106.9767 139.7632 759713.8703 -9.5068 -9.5957 PRESSURE: 4221400 302.936 59.3446 3.64661 59.3447 -56.9645 -47.0789 3.64709 -47.079 8.32314 GPRESSURE: 4221400 347.191 186.238 53.8851 -109.579 29.3574 -147.789 138.857 -23.728 -50.7765 PRESSAVG: 4221400 13.5532 -28.1348 -42.4574 -28.1348 -18.7352 -16.2519 -42.4575 -16.2519 -21.8053 GPRESSAVG: 4221400 13.7769 -25.5623 -44.23 -28.9648 -18.0234 -15.349 -43.5959 -18.8035 -22.7049 TIMING: 4221400 CPU: 13346.5, 0.00320715/step Wall: 13346.5, 0.00320715/step, 0.693635 hours remaining, 234.996094 MB of memory in use. ENERGY: 4221400 4043.4118 20434.2592 14411.1583 251.4766 -203229.0626 2506.1326 0.0000 0.0000 52072.7195 -109509.9046 299.2626 -161582.6241 -109143.8733 299.3420 84.7650 108.5906 760667.5299 -8.9958 -8.9838 PRESSURE: 4221600 -94.2223 -20.2444 -134.071 -20.2448 -117.976 62.0908 -134.071 62.0905 -308.794 GPRESSURE: 4221600 -77.3305 -62.6072 -36.115 64.265 -122.695 7.74435 -102.827 77.1688 -260.792 PRESSAVG: 4221600 -9.8548 6.98992 -13.3573 6.98997 7.56184 -15.0396 -13.3573 -15.0396 -1.03862 GPRESSAVG: 4221600 -9.95721 7.1569 -12.5243 6.43274 8.48258 -16.2215 -11.6351 -15.9356 -2.52629 TIMING: 4221600 CPU: 13347.1, 0.00320047/step Wall: 13347.1, 0.00320047/step, 0.692013 hours remaining, 234.996094 MB of memory in use. ENERGY: 4221600 4015.9169 20669.8953 14415.8016 238.9168 -203365.4369 2405.4730 0.0000 0.0000 52082.3327 -109537.1006 299.3179 -161619.4333 -109169.1315 298.6361 -173.6641 -153.6057 760383.9603 -1.1105 -1.3336 PRESSURE: 4221800 -342.745 -223.137 62.6499 -223.137 -118.915 10.9439 62.6501 10.9448 -154.539 GPRESSURE: 4221800 -253.267 -155.821 59.7221 -141.256 -111.111 -6.06466 21.2152 178.865 -170.783 PRESSAVG: 4221800 -49.2715 3.28048 3.98261 3.28046 -10.6337 21.1596 3.98258 21.1596 -9.59978 GPRESSAVG: 4221800 -49.1032 3.30751 4.09847 6.3334 -11.2289 21.8859 2.69872 23.7141 -8.75985 TIMING: 4221800 CPU: 13347.8, 0.00319683/step Wall: 13347.8, 0.00319683/step, 0.691048 hours remaining, 234.996094 MB of memory in use. ENERGY: 4221800 4015.7070 20315.0903 14346.8874 246.2798 -203194.9340 2471.3286 0.0000 0.0000 51929.7950 -109869.8459 298.4412 -161799.6408 -109500.6672 298.3047 -205.3999 -178.3873 760634.4596 -23.1683 -23.0306 PRESSURE: 4222000 139.328 103.609 187.401 103.608 190.281 81.356 187.401 81.3561 -57.3547 GPRESSURE: 4222000 197.378 -39.9536 229.817 90.9665 140.43 33.9636 240.186 16.0102 17.3968 PRESSAVG: 4222000 2.7488 25.0394 15.3906 25.0393 21.6885 47.9391 15.3906 47.9391 -31.5916 GPRESSAVG: 4222000 2.9086 23.5598 14.9034 22.191 20.5288 47.3366 16.2075 47.6226 -30.8176 TIMING: 4222000 CPU: 13348.4, 0.00320385/step Wall: 13348.4, 0.00320385/step, 0.692388 hours remaining, 234.996094 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: 4222000 3968.7092 20530.5394 14462.9601 237.7805 -203459.4294 2473.1610 0.0000 0.0000 51942.3023 -109843.9769 298.5131 -161786.2792 -109479.3700 298.2017 90.7512 118.4015 760593.5829 -2.3848 -2.4601 PRESSURE: 4222200 -66.7223 -95.8342 -129.743 -95.8346 35.2523 -56.7938 -129.743 -56.7937 -229.007 GPRESSURE: 4222200 10.5927 -31.0336 -143.629 24.18 -38.0571 -18.3857 -167.91 -37.0537 -150.317 PRESSAVG: 4222200 3.49604 0.557298 -19.7012 0.557284 -4.63242 11.4923 -19.7012 11.4923 -2.05074 GPRESSAVG: 4222200 4.46121 -0.0641227 -17.7716 2.85292 -5.81932 12.1713 -21.9416 12.1699 -1.7394 TIMING: 4222200 CPU: 13349, 0.00319771/step Wall: 13349, 0.00319771/step, 0.690883 hours remaining, 234.996094 MB of memory in use. ENERGY: 4222200 4035.7452 20495.7337 14384.5117 233.8202 -203189.6582 2484.9086 0.0000 0.0000 51870.8192 -109684.1196 298.1023 -161554.9388 -109321.7484 298.7198 -86.8257 -59.2604 761872.4335 -1.0624 -1.0325 PRESSURE: 4222400 -220.563 -69.2226 76.2423 -69.2222 -41.8937 94.7445 76.2435 94.7457 96.218 GPRESSURE: 4222400 -168.193 -14.2445 89.1537 -50.7348 20.172 32.321 55.2519 -11.6488 77.2647 PRESSAVG: 4222400 -58.1216 -67.5795 -72.2195 -67.5795 53.6418 -25.654 -72.2194 -25.654 13.8078 GPRESSAVG: 4222400 -58.6896 -66.4123 -74.489 -68.0882 55.6062 -26.288 -70.8108 -27.2789 12.5842 TIMING: 4222400 CPU: 13349.7, 0.00319747/step Wall: 13349.7, 0.00319747/step, 0.690653 hours remaining, 234.996094 MB of memory in use. ENERGY: 4222400 3962.4584 20422.3647 14416.2084 236.5168 -203692.5007 2708.1356 0.0000 0.0000 52190.5898 -109756.2270 299.9400 -161946.8168 -109397.9975 298.4930 -55.4130 -23.5856 761584.5700 3.1094 3.1670 PRESSURE: 4222600 -78.848 7.53772 -224.491 7.5364 130.074 -75.4698 -224.49 -75.4703 -235.919 GPRESSURE: 4222600 -8.17013 10.7135 -130.635 22.2727 147.627 -69.1348 -205.819 -206.319 -259.527 PRESSAVG: 4222600 -58.5033 -27.6242 8.7772 -27.6243 35.7027 -32.7673 8.77722 -32.7673 8.83787 GPRESSAVG: 4222600 -58.4616 -27.8274 8.83583 -27.6604 36.6659 -31.8728 8.95616 -32.2827 8.39395 TIMING: 4222600 CPU: 13350.3, 0.00318326/step Wall: 13350.3, 0.00318326/step, 0.687408 hours remaining, 234.996094 MB of memory in use. ENERGY: 4222600 3856.9060 20536.4529 14421.6535 237.7203 -203489.9792 2444.2448 0.0000 0.0000 52583.7364 -109409.2654 302.1995 -161993.0018 -109044.2941 298.8093 -61.5642 -40.0236 762087.3269 -4.6543 -4.4672 PRESSURE: 4222800 -2.7628 -169.041 -124.69 -169.041 76.34 -63.0304 -124.689 -63.0304 -223.9 GPRESSURE: 4222800 4.15741 -159.429 -167.509 -104.631 106.723 15.4283 4.79858 -124.287 -172.408 PRESSAVG: 4222800 31.5975 -16.6096 20.7038 -16.6097 -22.8725 -56.611 20.7038 -56.6111 7.18872 GPRESSAVG: 4222800 32.3892 -17.8527 20.4948 -15.4211 -25.2306 -55.3663 20.9785 -55.8049 8.4767 TIMING: 4222800 CPU: 13351, 0.0031764/step Wall: 13351, 0.0031764/step, 0.685749 hours remaining, 234.996094 MB of memory in use. ENERGY: 4222800 4016.9755 20376.1497 14476.6950 242.5609 -203157.2620 2298.0670 0.0000 0.0000 52275.1599 -109471.6540 300.4261 -161746.8139 -109098.9659 298.8369 -50.1075 -20.5091 763100.3849 5.3046 5.2118 PRESSURE: 4223000 119.193 -160.014 -254.847 -160.014 -34.5708 163.243 -254.848 163.243 347.039 GPRESSURE: 4223000 52.5929 -97.4573 -250.493 -56.8486 91.2265 156.891 -248.024 124.392 380.298 PRESSAVG: 4223000 -2.07017 -12.0141 -31.1861 -12.014 4.15003 47.6057 -31.1862 47.6057 26.793 GPRESSAVG: 4223000 -2.94363 -10.3811 -31.7333 -15.1114 5.99462 45.9667 -29.1525 45.4797 25.8685 TIMING: 4223000 CPU: 13351.6, 0.0031931/step Wall: 13351.6, 0.0031931/step, 0.689178 hours remaining, 234.996094 MB of memory in use. ENERGY: 4223000 3933.7556 20636.8105 14504.9990 231.5276 -203552.3371 2591.9566 0.0000 0.0000 52239.8677 -109413.4202 300.2232 -161653.2878 -109041.6357 299.5450 143.8869 174.7059 761720.3971 9.6243 9.6398 PRESSURE: 4223200 -267.722 25.3993 21.957 25.3995 -169.919 157.249 21.9562 157.249 -7.06559 GPRESSURE: 4223200 -218.434 1.51334 -38.2286 72.7674 -175.564 124.56 -38.8559 115.602 42.5835 PRESSAVG: 4223200 -57.6667 -42.0755 -69.9549 -42.0755 40.9074 41.618 -69.9549 41.618 2.90858 GPRESSAVG: 4223200 -57.3853 -43.2158 -69.1516 -39.4716 40.1737 41.2319 -72.5759 43.3165 3.24961 TIMING: 4223200 CPU: 13352.2, 0.00319027/step Wall: 13352.2, 0.00319027/step, 0.68839 hours remaining, 234.996094 MB of memory in use. ENERGY: 4223200 4021.0206 20467.9335 14494.7663 240.0707 -202949.7005 2235.6039 0.0000 0.0000 51981.4420 -109508.8636 298.7381 -161490.3056 -109148.6013 299.7698 -148.2355 -117.1383 762161.1872 -4.6169 -4.6540 PRESSURE: 4223400 6.71483 190.76 0.922428 190.761 -23.8266 169.182 0.921885 169.181 -92.3382 GPRESSURE: 4223400 71.967 202.994 28.0506 239.948 -28.7583 154.979 -0.516749 115.418 -61.5438 PRESSAVG: 4223400 5.80799 -20.3404 -16.2015 -20.3404 -27.2938 10.8042 -16.2016 10.8042 9.92905 GPRESSAVG: 4223400 5.9543 -19.1298 -16.2507 -20.2248 -27.2393 11.964 -14.9401 10.6624 9.81841 TIMING: 4223400 CPU: 13352.9, 0.00321246/step Wall: 13352.9, 0.00321246/step, 0.692999 hours remaining, 234.996094 MB of memory in use. ENERGY: 4223400 4048.7695 20732.4723 14464.0281 251.0539 -203238.9498 2579.8071 0.0000 0.0000 51826.6902 -109336.1287 297.8487 -161162.8189 -108987.1120 299.6842 -36.4833 -6.1117 761617.3882 -3.8523 -3.8222 PRESSURE: 4223600 280.344 -144.945 5.75599 -144.945 265.959 68.2614 5.75658 68.2606 201.108 GPRESSURE: 4223600 278.893 -197.227 27.3388 -111.608 274.59 125.871 -63.88 76.3432 266.172 PRESSAVG: 4223600 -0.956601 9.81372 -18.5398 9.8138 20.4357 71.2903 -18.5397 71.2903 3.68079 GPRESSAVG: 4223600 -1.88213 10.8546 -17.57 7.88855 20.4254 72.0559 -19.4165 69.2593 4.92981 TIMING: 4223600 CPU: 13353.5, 0.00321156/step Wall: 13353.5, 0.00321156/step, 0.692626 hours remaining, 234.996094 MB of memory in use. ENERGY: 4223600 3962.7288 20684.4704 14457.3433 245.0977 -203627.9277 2680.0131 0.0000 0.0000 52197.7127 -109400.5618 299.9810 -161598.2745 -109037.4508 299.4739 249.1373 273.2185 759841.1599 7.7200 7.8244 PRESSURE: 4223800 -384.212 -7.99068 37.4813 -7.99119 -85.1377 247.824 37.4809 247.824 -406.295 GPRESSURE: 4223800 -348.655 -50.666 86.7806 122.927 -8.25528 222.211 16.1712 189.177 -406.057 PRESSAVG: 4223800 -49.9613 -73.2332 -24.5944 -73.2332 39.4966 20.724 -24.5944 20.724 13.5422 GPRESSAVG: 4223800 -49.8073 -73.2982 -26.4615 -74.0429 40.0837 18.6327 -25.9403 22.9281 12.9219 TIMING: 4223800 CPU: 13354.2, 0.00321668/step Wall: 13354.2, 0.00321668/step, 0.693551 hours remaining, 234.996094 MB of memory in use. ENERGY: 4223800 3952.9723 20558.7115 14485.4900 237.6570 -203590.6932 2423.8493 0.0000 0.0000 52462.0961 -109469.9170 301.5004 -161932.0132 -109098.3834 299.3099 -291.8817 -254.3222 761560.1062 1.0258 1.0661 PRESSURE: 4224000 92.1872 -73.4344 -7.76757 -73.4333 -333.082 -72.5149 -7.76738 -72.5147 -283.044 GPRESSURE: 4224000 111.492 -86.9293 46.4332 -56.8783 -196.316 -74.0402 19.4213 91.9592 -346.188 PRESSAVG: 4224000 -37.0934 -18.8765 10.3727 -18.8764 5.74166 23.6063 10.3727 23.6062 -6.89586 GPRESSAVG: 4224000 -36.5461 -18.8107 10.4976 -18.4915 5.83389 24.8143 12.7253 22.3435 -6.90261 TIMING: 4224000 CPU: 13354.8, 0.00318659/step Wall: 13354.8, 0.00318659/step, 0.686887 hours remaining, 234.996094 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: 4224000 4097.6105 20381.2643 14545.9579 248.6276 -203243.8591 2573.7604 0.0000 0.0000 52110.4126 -109286.2257 299.4793 -161396.6383 -108911.6449 299.7090 -174.6462 -143.6708 763792.5571 -12.7492 -12.5383 PRESSURE: 4224200 26.6972 -211.117 -90.5355 -211.117 124.84 -66.374 -90.5358 -66.3745 130.273 GPRESSURE: 4224200 66.7888 -219.084 -156.204 -146.895 97.8797 -80.7875 -14.108 -112.04 197.987 PRESSAVG: 4224200 0.0491511 -79.7404 -52.0348 -79.7404 4.29422 -46.3909 -52.0348 -46.3911 36.1625 GPRESSAVG: 4224200 1.98952 -81.502 -51.9326 -78.2195 3.58897 -48.0746 -52.014 -44.3521 34.6696 TIMING: 4224200 CPU: 13355.4, 0.00316795/step Wall: 13355.4, 0.00316795/step, 0.682692 hours remaining, 234.996094 MB of memory in use. ENERGY: 4224200 4103.4911 20661.3919 14442.8293 249.8836 -203369.7084 2615.4570 0.0000 0.0000 51985.0912 -109311.5643 298.7590 -161296.6556 -108959.4692 299.5844 93.9368 120.8852 759988.7361 13.5020 13.4160 LDB: ============= START OF LOAD BALANCING ============== 13368 LDB: ============== END OF LOAD BALANCING =============== 13368 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13368 LDB: ============= START OF LOAD BALANCING ============== 13368.3 LDB: Largest compute 7067 load 0.034340 is 17.6% of average load 0.195624 LDB: Average compute 0.004387 is 2.2% of average load 0.195624 LDB: TIME 13368.3 LOAD: AVG 0.195624 MAX 0.216876 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.059 MB LDB: TIME 13368.3 LOAD: AVG 0.195624 MAX 0.216876 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: TIME 13368.3 LOAD: AVG 0.195624 MAX 0.216876 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: ============== END OF LOAD BALANCING =============== 13368.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13368.3 PRESSURE: 4224400 35.3997 2.84572 38.3582 2.84602 434.448 263.933 38.3573 263.933 315.786 GPRESSURE: 4224400 56.7404 -82.6746 51.521 -120.41 488.956 303.524 -84.0399 196.649 305.88 PRESSAVG: 4224400 -6.38726 -41.8306 0.0202223 -41.8306 12.8535 -11.7337 0.0202554 -11.7336 -30.2993 GPRESSAVG: 4224400 -7.74441 -42.567 0.606165 -43.5761 14.2648 -11.5244 0.612632 -11.7426 -29.7988 TIMING: 4224400 CPU: 13356.1, 0.00324508/step Wall: 13356.1, 0.00324508/step, 0.699134 hours remaining, 235.453125 MB of memory in use. ENERGY: 4224400 3938.7044 20390.5581 14528.8028 239.9889 -203314.5865 2698.1217 0.0000 0.0000 52216.1076 -109302.3030 300.0867 -161518.4106 -108931.4958 299.8077 261.8778 283.8590 761362.8845 -7.9444 -7.7594 PRESSURE: 4224600 -160.144 -97.8258 -123.341 -97.8259 -309.48 121.148 -123.341 121.147 -81.0833 GPRESSURE: 4224600 -117.421 -146.538 -197.605 -51.5336 -224.401 84.9311 -38.0664 182.411 -135.553 PRESSAVG: 4224600 15.3299 -5.8229 5.30332 -5.82293 4.07353 -56.2725 5.30334 -56.2725 2.93091 GPRESSAVG: 4224600 15.5495 -5.081 6.2719 -3.98769 3.33314 -54.9372 3.25439 -57.005 3.79153 TIMING: 4224600 CPU: 13356.7, 0.00319374/step Wall: 13356.7, 0.00319373/step, 0.687895 hours remaining, 235.492188 MB of memory in use. ENERGY: 4224600 4030.7906 20445.4298 14481.8511 263.0562 -202966.1687 2248.1384 0.0000 0.0000 52132.6323 -109364.2703 299.6070 -161496.9026 -109002.6633 299.5577 -183.5693 -159.1248 758736.6888 7.4448 7.5581 PRESSURE: 4224800 -7.3191 -51.7905 275.03 -51.7908 -163.846 23.2836 275.029 23.2847 -328.012 GPRESSURE: 4224800 136.422 -123.38 313.387 -47.306 -230.125 -38.3126 312.616 121.617 -296.715 PRESSAVG: 4224800 32.8729 -45.8063 19.758 -45.8063 -62.9808 37.3893 19.7581 37.3894 -15.5277 GPRESSAVG: 4224800 32.5376 -42.6528 18.8114 -46.3338 -61.981 37.5951 21.3361 37.1227 -16.2717 TIMING: 4224800 CPU: 13357.4, 0.00318935/step Wall: 13357.4, 0.00318935/step, 0.686773 hours remaining, 235.492188 MB of memory in use. ENERGY: 4224800 4046.8136 20445.5402 14530.5462 259.7065 -203002.4061 2447.6032 0.0000 0.0000 52101.1046 -109171.0918 299.4258 -161272.1964 -108804.1024 299.8825 -166.3924 -130.1394 760426.9332 -15.2119 -15.2384 PRESSURE: 4225000 -188.515 -107.717 2.04626 -107.718 -32.4123 -146.384 2.04645 -146.385 -178.959 GPRESSURE: 4225000 -255.248 66.767 -63.4726 -101.034 106.401 -140.993 28.2513 -96.1663 -178.6 PRESSAVG: 4225000 38.1401 -33.8834 -29.7934 -33.8835 -41.5757 52.8997 -29.7934 52.8997 9.01865 GPRESSAVG: 4225000 37.6084 -33.8814 -28.0985 -34.4774 -41.5962 51.9495 -32.6493 51.9852 9.7424 TIMING: 4225000 CPU: 13358, 0.00317281/step Wall: 13358, 0.00317281/step, 0.683035 hours remaining, 235.695312 MB of memory in use. ENERGY: 4225000 4021.0260 20500.4586 14492.9342 231.2652 -203087.6178 2266.6843 0.0000 0.0000 52252.6106 -109322.6388 300.2965 -161575.2494 -108961.6260 299.4391 -133.2955 -109.1488 762345.9602 1.8610 1.9182 PRESSURE: 4225200 292.995 -18.8742 178.378 -18.875 116.936 99.2636 178.378 99.264 371.686 GPRESSURE: 4225200 321.055 -77.1745 122.747 -82.9124 99.8677 42.2755 171.12 106.535 448.175 PRESSAVG: 4225200 25.548 2.7901 -3.78844 2.79007 -21.7982 -13.3833 -3.78851 -13.3833 9.32103 GPRESSAVG: 4225200 26.2422 -0.326386 -4.75057 6.62398 -21.937 -15.3646 -0.486954 -11.4331 8.70801 TIMING: 4225200 CPU: 13358.6, 0.00318662/step Wall: 13358.6, 0.00318662/step, 0.685832 hours remaining, 235.695312 MB of memory in use. ENERGY: 4225200 3925.3166 20586.9303 14514.0533 258.6002 -203085.2221 2529.6293 0.0000 0.0000 52069.6064 -109201.0860 299.2447 -161270.6924 -108839.4776 299.0908 260.5393 289.6993 760704.7885 4.3569 4.3377 PRESSURE: 4225400 5.12826 -1.90169 100.147 -1.90197 -34.173 -48.8476 100.147 -48.8484 569.811 GPRESSURE: 4225400 72.0534 6.75879 96.6649 40.0282 11.5912 -22.0615 111.514 -21.4202 554.721 PRESSAVG: 4225400 52.9715 41.4209 34.9429 41.421 -42.0289 -6.42365 34.9429 -6.42365 18.0061 GPRESSAVG: 4225400 53.0896 42.3897 34.3341 40.0861 -41.8737 -3.77764 32.9286 -8.30649 17.7394 TIMING: 4225400 CPU: 13359.3, 0.00321162/step Wall: 13359.3, 0.00321162/step, 0.691033 hours remaining, 235.695312 MB of memory in use. ENERGY: 4225400 3955.7359 20289.7431 14498.6794 235.0118 -203057.1603 2466.4315 0.0000 0.0000 52267.0160 -109344.5426 300.3793 -161611.5586 -108986.2193 299.4578 180.2554 212.7886 760856.9624 9.6496 9.6517 PRESSURE: 4225600 -210.022 26.6464 116.596 26.6464 151.207 179.182 116.596 179.183 87.9964 GPRESSURE: 4225600 -162.944 37.8008 73.8138 104.946 218.186 126.422 -36.6599 161.71 53.9763 PRESSAVG: 4225600 -48.7877 -2.01265 26.5921 -2.01268 19.9935 8.43285 26.5921 8.43279 12.2021 GPRESSAVG: 4225600 -48.5335 -2.156 27.0495 -3.58936 19.9746 6.56053 27.2345 9.86492 11.6518 TIMING: 4225600 CPU: 13359.9, 0.00316015/step Wall: 13359.9, 0.00316015/step, 0.679784 hours remaining, 235.695312 MB of memory in use. ENERGY: 4225600 4036.3738 20475.8713 14510.8945 250.4156 -203119.1868 2409.8729 0.0000 0.0000 51958.3135 -109477.4452 298.6051 -161435.7587 -109123.9683 298.8419 9.7272 36.4059 761580.8239 -5.5307 -5.6357 PRESSURE: 4225800 18.714 -33.4652 -41.9572 -33.4646 -473.223 -160.406 -41.9567 -160.407 520.174 GPRESSURE: 4225800 49.6685 11.6832 2.60607 40.8124 -423.94 -135.569 11.5806 -106.036 534.721 PRESSAVG: 4225800 3.36896 -28.7212 86.3777 -28.7211 1.37401 11.6508 86.3777 11.6509 3.54289 GPRESSAVG: 4225800 4.25802 -26.0134 86.6809 -29.6212 -0.574623 12.1275 83.9194 10.7769 5.34356 TIMING: 4225800 CPU: 13360.5, 0.00316888/step Wall: 13360.5, 0.00316888/step, 0.681485 hours remaining, 235.695312 MB of memory in use. ENERGY: 4225800 3863.9505 20357.8766 14469.3893 250.4433 -202728.3937 2366.3728 0.0000 0.0000 52048.6676 -109371.6937 299.1244 -161420.3613 -109003.2811 298.9109 21.8884 53.4831 762381.5342 2.7620 3.0090 PRESSURE: 4226000 -11.2966 -51.0039 -14.6497 -51.004 -158.562 -321.57 -14.6497 -321.57 -690.577 GPRESSURE: 4226000 10.0369 -16.0129 -59.2067 22.9352 -134.051 -257.611 -35.9456 -211.712 -645.969 PRESSAVG: 4226000 30.5232 -33.9178 2.36324 -33.9178 -13.4453 -21.9564 2.36326 -21.9565 -3.6162 GPRESSAVG: 4226000 29.9391 -34.9955 2.18351 -33.1566 -11.3203 -22.5343 7.02026 -19.74 -5.35632 TIMING: 4226000 CPU: 13361.2, 0.00317314/step Wall: 13361.2, 0.00317314/step, 0.682224 hours remaining, 235.695312 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: 4226000 3971.3122 20632.5687 14452.7948 224.2556 -203396.9839 2670.5916 0.0000 0.0000 52017.0713 -109428.3897 298.9428 -161445.4610 -109067.6982 299.2271 -286.8120 -256.6608 762219.8519 4.4872 4.4208 PRESSURE: 4226200 145.24 -59.5072 73.45 -59.5064 298.849 -278.922 73.4501 -278.922 -50.4325 GPRESSURE: 4226200 150.863 -135.466 87.1653 -61.4142 283.418 -300.478 158.226 -152.778 45.0479 PRESSAVG: 4226200 -19.7691 -52.7235 30.1479 -52.7234 0.969266 -45.6428 30.148 -45.6428 0.138666 GPRESSAVG: 4226200 -20.1189 -54.5503 29.7954 -51.3867 -1.0633 -44.4053 28.5137 -47.3036 2.58034 TIMING: 4226200 CPU: 13361.8, 0.00317782/step Wall: 13361.8, 0.00317782/step, 0.683054 hours remaining, 235.695312 MB of memory in use. ENERGY: 4226200 4022.6548 20456.1636 14459.5338 228.7743 -203304.3628 2622.4049 0.0000 0.0000 52095.7241 -109419.1073 299.3948 -161514.8315 -109061.2118 299.0509 131.2189 159.7761 760701.4480 -6.2204 -6.2006 PRESSURE: 4226400 -149.05 -71.598 -280.737 -71.598 -142.315 248.561 -280.737 248.561 -360.101 GPRESSURE: 4226400 -159.956 -59.6147 -253.014 -76.5168 -38.5129 213.835 -377.235 197.925 -361.461 PRESSAVG: 4226400 -37.8226 -15.6485 23.0942 -15.6486 -9.38583 7.34637 23.0942 7.34628 -0.438868 GPRESSAVG: 4226400 -37.233 -12.5596 22.024 -18.9545 -8.33642 6.33734 22.5916 8.75258 -2.18114 TIMING: 4226400 CPU: 13362.4, 0.00316992/step Wall: 13362.4, 0.00316992/step, 0.681181 hours remaining, 235.695312 MB of memory in use. ENERGY: 4226400 3955.8299 20623.7505 14503.0278 250.5357 -203004.6848 2445.8348 0.0000 0.0000 52024.5367 -109201.1694 298.9857 -161225.7061 -108838.1180 299.5053 -217.1557 -186.6434 761039.5835 -15.8824 -15.9169 PRESSURE: 4226600 -146.594 -69.4129 -12.089 -69.4138 -300.789 -34.6315 -12.0895 -34.6309 -350.445 GPRESSURE: 4226600 -68.2567 -100.785 -52.014 -45.3755 -318.808 -84.2625 9.46927 -133.359 -324.366 PRESSAVG: 4226600 47.9745 -15.0726 -20.2964 -15.0726 -13.5361 14.0448 -20.2964 14.0448 13.9647 GPRESSAVG: 4226600 47.7092 -16.7368 -17.012 -13.2041 -13.4657 13.0308 -20.0463 12.1544 14.5534 TIMING: 4226600 CPU: 13363.1, 0.00318852/step Wall: 13363.1, 0.00318852/step, 0.685 hours remaining, 235.695312 MB of memory in use. ENERGY: 4226600 4081.8083 20578.3754 14536.8869 232.9530 -203336.3068 2487.5980 0.0000 0.0000 52206.2837 -109212.4015 300.0302 -161418.6853 -108851.2788 299.8873 -265.9427 -237.1436 762855.2358 16.1344 16.2656 PRESSURE: 4226800 132.663 -77.5122 191.478 -77.5121 -87.561 6.66588 191.479 6.66599 -32.8727 GPRESSURE: 4226800 160.494 -11.3389 289.358 156.259 -41.7331 6.05116 63.7886 10.8073 -24.3882 PRESSAVG: 4226800 7.69802 -66.3443 -45.6702 -66.3443 -32.019 -14.9428 -45.6703 -14.9429 0.613881 GPRESSAVG: 4226800 8.48617 -66.8901 -44.7771 -66.9103 -32.5585 -13.5918 -46.2282 -13.8151 -0.46573 TIMING: 4226800 CPU: 13363.7, 0.00317686/step Wall: 13363.7, 0.00317686/step, 0.68232 hours remaining, 235.695312 MB of memory in use. ENERGY: 4226800 3979.0358 20323.7665 14524.8121 259.5320 -203548.7470 2608.6934 0.0000 0.0000 52529.3436 -109323.5634 301.8869 -161852.9071 -108944.2680 300.0403 4.0763 31.4577 760352.4862 -7.9024 -8.1794 PRESSURE: 4227000 -47.9562 165.555 159.91 165.556 100.578 25.1322 159.909 25.1331 86.3985 GPRESSURE: 4227000 28.5669 27.2914 248.88 67.9443 132.232 2.73552 24.9478 63.5781 50.8777 PRESSAVG: 4227000 7.93845 -23.3487 54.7691 -23.3487 48.8004 40.4483 54.769 40.4482 -13.2408 GPRESSAVG: 4227000 6.09168 -24.0925 51.9709 -22.393 49.0411 39.8946 55.1799 40.5406 -11.2074 TIMING: 4227000 CPU: 13364.4, 0.00319231/step Wall: 13364.4, 0.00319231/step, 0.68546 hours remaining, 235.695312 MB of memory in use. ENERGY: 4227000 3872.4483 20586.4086 14526.1932 238.6758 -203329.2247 2573.2812 0.0000 0.0000 51984.1367 -109548.0810 298.7535 -161532.2177 -109180.6737 299.3810 46.3401 70.5587 761760.1001 14.4994 14.6418 PRESSURE: 4227200 118.348 -55.9528 99.0543 -55.9531 63.6392 -178.041 99.054 -178.041 211.721 GPRESSURE: 4227200 240.141 -38.236 53.9445 -39.761 45.2947 -173.931 22.7145 -228.923 179.542 PRESSAVG: 4227200 -19.2275 -48.2308 -27.2244 -48.2307 41.2658 6.78355 -27.2244 6.78356 23.6686 GPRESSAVG: 4227200 -17.9675 -48.7545 -26.5147 -48.3003 41.879 7.153 -27.871 6.1884 22.4579 TIMING: 4227200 CPU: 13365, 0.00317281/step Wall: 13365, 0.00317281/step, 0.681096 hours remaining, 235.695312 MB of memory in use. ENERGY: 4227200 4062.5201 20431.9897 14569.4039 246.7135 -203279.1332 2575.0663 0.0000 0.0000 51984.2242 -109409.2156 298.7541 -161393.4397 -109055.0670 299.3123 131.2359 154.9927 759042.7820 15.2356 15.4565 PRESSURE: 4227400 519.949 33.0304 -80.0076 33.0302 -315.448 109.277 -80.0081 109.277 -37.7296 GPRESSURE: 4227400 426.171 67.2017 80.8635 -6.13175 -186.288 38.7428 -99.7305 76.7492 15.2679 PRESSAVG: 4227400 -30.2128 24.8128 4.4126 24.8128 65.7415 -17.7672 4.4126 -17.7672 -12.4841 GPRESSAVG: 4227400 -29.3482 25.438 4.10278 24.5913 64.794 -18.2152 5.83266 -18.5744 -12.4856 TIMING: 4227400 CPU: 13365.6, 0.00318907/step Wall: 13365.6, 0.00318907/step, 0.68441 hours remaining, 235.695312 MB of memory in use. ENERGY: 4227400 4009.7482 20615.1926 14454.4142 224.1254 -203732.0490 2658.7254 0.0000 0.0000 52229.6745 -109540.1687 300.1647 -161769.8432 -109185.5573 299.1152 55.5905 85.0501 758715.5145 7.6815 7.6534 PRESSURE: 4227600 369.871 177.786 -78.6008 177.786 -259.362 32.6051 -78.6015 32.6045 576.228 GPRESSURE: 4227600 248.962 153.643 -158.457 127.265 -36.3259 9.97995 -46.9826 -77.5984 532.396 PRESSAVG: 4227600 -21.9079 40.5863 -20.809 40.5863 10.8169 26.3368 -20.8091 26.3367 7.71572 GPRESSAVG: 4227600 -23.3409 39.9472 -20.3031 42.0622 11.1175 26.6135 -23.5726 28.2148 8.61136 TIMING: 4227600 CPU: 13366.3, 0.00318475/step Wall: 13366.3, 0.00318475/step, 0.683305 hours remaining, 235.695312 MB of memory in use. ENERGY: 4227600 3904.5338 20610.2392 14625.9428 247.4968 -203647.0387 2702.9280 0.0000 0.0000 52109.2472 -109446.6509 299.4726 -161555.8981 -109078.6549 299.3097 228.9122 248.3439 760306.2149 -1.1251 -1.2040 PRESSURE: 4227800 -194.78 151.548 45.751 151.548 -117.607 -78.1251 45.7499 -78.1259 123.889 GPRESSURE: 4227800 -150.575 88.2873 45.2241 149.199 -27.8505 -52.5272 -58.3629 -0.475498 70.1297 PRESSAVG: 4227800 10.834 18.6072 6.69017 18.6072 7.19438 34.2373 6.69015 34.2374 9.48741 GPRESSAVG: 4227800 10.7226 20.6498 7.71262 17.6971 7.9804 32.8634 7.95769 36.5023 8.88765 TIMING: 4227800 CPU: 13366.9, 0.00318863/step Wall: 13366.9, 0.00318863/step, 0.683961 hours remaining, 235.695312 MB of memory in use. ENERGY: 4227800 3938.7572 20372.0503 14565.0819 226.1004 -203825.7121 2822.2831 0.0000 0.0000 52584.9823 -109316.4570 302.2066 -161901.4393 -108935.1079 299.6366 -62.8325 -36.0987 760901.1850 9.1719 9.1969 PRESSURE: 4228000 55.6945 30.5627 -273.512 30.5626 76.3787 -14.3949 -273.511 -14.3945 -102.48 GPRESSURE: 4228000 101.75 181.455 -278.347 -27.2821 186.522 4.26268 -245.565 -142.176 -170.728 PRESSAVG: 4228000 -92.3737 3.6979 28.7648 3.69791 72.3798 -28.0914 28.7647 -28.0914 -14.6783 GPRESSAVG: 4228000 -91.1631 2.81611 27.3911 3.93625 72.037 -26.9481 28.655 -29.23 -15.6301 TIMING: 4228000 CPU: 13367.5, 0.00318617/step Wall: 13367.5, 0.00318617/step, 0.683256 hours remaining, 235.695312 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: 4228000 4017.2168 20632.1288 14502.0793 233.6077 -203717.4322 2887.3286 0.0000 0.0000 52014.0866 -109430.9845 298.9257 -161445.0711 -109084.1655 299.2549 9.8645 39.1816 761504.2672 -11.5574 -11.5854 PRESSURE: 4228200 137.181 213.03 41.896 213.03 209.8 -74.0897 41.8966 -74.089 56.5724 GPRESSURE: 4228200 221.938 109.943 -2.29772 149.894 180.408 -151.253 -91.7262 -71.5962 70.6255 PRESSAVG: 4228200 -37.3747 -0.343199 -30.9922 -0.343167 21.8071 53.1067 -30.9923 53.1067 8.13387 GPRESSAVG: 4228200 -39.7178 -0.539162 -30.8125 -2.68328 22.6983 53.7292 -32.4677 51.6851 9.261 TIMING: 4228200 CPU: 13368.2, 0.00319902/step Wall: 13368.2, 0.00319902/step, 0.685835 hours remaining, 235.695312 MB of memory in use. ENERGY: 4228200 3999.7681 20470.6276 14537.2520 238.8490 -203569.6105 2626.3291 0.0000 0.0000 52420.4928 -109276.2919 301.2613 -161696.7847 -108911.9518 300.0642 134.5176 157.6570 759603.0280 -2.4779 -2.5862 LDB: ============= START OF LOAD BALANCING ============== 13380.7 LDB: ============== END OF LOAD BALANCING =============== 13380.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13380.7 LDB: ============= START OF LOAD BALANCING ============== 13381 LDB: Largest compute 7076 load 0.034689 is 17.7% of average load 0.195611 LDB: Average compute 0.004374 is 2.2% of average load 0.195611 LDB: TIME 13381 LOAD: AVG 0.195611 MAX 0.217719 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 13381 LOAD: AVG 0.195611 MAX 0.217719 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 13381 LOAD: AVG 0.195611 MAX 0.217719 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 13381 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13381 PRESSURE: 4228400 -62.472 40.4847 -88.5008 40.4848 -161.936 -260.758 -88.5 -260.759 -89.9143 GPRESSURE: 4228400 -39.0593 -37.7824 -7.60468 -122.918 -58.5548 -259.483 -98.8326 -198.009 -121.273 PRESSAVG: 4228400 -28.3181 -25.1276 8.68771 -25.1276 36.3111 35.3505 8.68774 35.3504 8.93145 GPRESSAVG: 4228400 -28.526 -25.3192 10.2962 -23.3722 35.7379 33.2557 8.79264 37.0068 8.90032 TIMING: 4228400 CPU: 13368.8, 0.00324987/step Wall: 13368.8, 0.00324987/step, 0.696556 hours remaining, 235.906250 MB of memory in use. ENERGY: 4228400 3986.3491 20506.6441 14527.3058 243.7108 -203661.0569 2696.1102 0.0000 0.0000 52408.0796 -109292.8574 301.1900 -161700.9369 -108933.6015 299.8872 -104.7741 -72.9623 760756.2183 5.6415 5.3708 PRESSURE: 4228600 -38.2141 -197.756 -337.507 -197.756 -36.4606 77.8102 -337.507 77.8105 -222.134 GPRESSURE: 4228600 75.6717 -122.411 -333.523 -14.626 -69.156 99.3732 -193.4 174.686 -229.579 PRESSAVG: 4228600 -19.8569 28.2589 11.788 28.2589 8.03741 10.2306 11.7879 10.2305 -7.85416 GPRESSAVG: 4228600 -20.3286 30.3789 10.2695 28.4274 7.6598 11.0737 15.3801 9.07554 -7.3512 TIMING: 4228600 CPU: 13369.5, 0.00317894/step Wall: 13369.5, 0.00317894/step, 0.681176 hours remaining, 236.164062 MB of memory in use. ENERGY: 4228600 4095.3441 20630.5134 14506.0282 254.1258 -203314.1083 2615.9220 0.0000 0.0000 51940.9204 -109271.2544 298.5052 -161212.1748 -108906.6953 299.2199 -98.9361 -74.3545 761796.6229 -6.5579 -6.6733 PRESSURE: 4228800 28.1965 9.16687 -54.2177 9.16702 130.231 -38.8815 -54.2182 -38.8822 -243.311 GPRESSURE: 4228800 -27.6722 -30.1135 2.90927 60.0845 306.271 -93.9597 -77.533 -169.767 -266.307 PRESSAVG: 4228800 -20.6491 8.43984 -4.76835 8.43984 47.3116 25.6538 -4.76832 25.6538 5.15792 GPRESSAVG: 4228800 -18.6669 8.59681 -3.67469 5.17906 45.9974 26.6102 -9.22007 24.3183 4.76916 TIMING: 4228800 CPU: 13370.1, 0.00320227/step Wall: 13370.1, 0.00320227/step, 0.685998 hours remaining, 236.164062 MB of memory in use. ENERGY: 4228800 3969.9923 20619.0124 14522.6350 258.1882 -203256.5440 2392.1677 0.0000 0.0000 52209.1019 -109285.4465 300.0464 -161494.5484 -108913.1057 299.6923 -28.2946 4.0972 761288.8185 10.6068 10.6999 PRESSURE: 4229000 -253.075 103.057 64.3528 103.058 -147.899 37.7171 64.3534 37.7171 -188.412 GPRESSURE: 4229000 -179.051 17.4886 46.7632 226.121 -169.449 41.0967 145.573 168.039 -161.237 PRESSAVG: 4229000 -88.9972 21.2251 -3.24358 21.2251 81.9214 -5.17933 -3.24367 -5.17939 -9.21934 GPRESSAVG: 4229000 -90.8401 19.2544 -4.0753 23.2152 83.9999 -5.98921 -0.28491 -4.61655 -9.13985 TIMING: 4229000 CPU: 13370.7, 0.00319061/step Wall: 13370.7, 0.00319061/step, 0.683322 hours remaining, 236.164062 MB of memory in use. ENERGY: 4229000 3992.5480 20708.4995 14536.1024 244.5829 -203602.3467 2561.5855 0.0000 0.0000 52069.1729 -109489.8555 299.2423 -161559.0284 -109125.1631 299.4924 -196.4619 -169.9125 762346.5571 -5.4317 -5.3267 PRESSURE: 4229200 -250.692 -174.193 -172.534 -174.193 149.953 -188.839 -172.534 -188.839 97.2114 GPRESSURE: 4229200 -245.224 -26.6506 -284.353 -193.001 203.546 -228.756 -203.397 -37.6284 122.148 PRESSAVG: 4229200 -111.904 15.2381 -16.0637 15.2381 74.4235 109.019 -16.0636 109.019 12.2056 GPRESSAVG: 4229200 -110.201 16.534 -13.9516 14.5212 72.987 110.134 -17.425 111.337 11.9987 TIMING: 4229200 CPU: 13371.4, 0.00320035/step Wall: 13371.4, 0.00320035/step, 0.68523 hours remaining, 236.164062 MB of memory in use. ENERGY: 4229200 4051.0101 20524.3803 14542.9775 231.4338 -203497.6228 2651.2325 0.0000 0.0000 52105.5691 -109391.0195 299.4514 -161496.5886 -109023.4272 299.1831 -1.1759 26.8235 762647.0017 -8.4251 -8.4051 PRESSURE: 4229400 -74.0366 -152.274 47.8668 -152.274 -218.307 130.413 47.8673 130.412 130.799 GPRESSURE: 4229400 -30.4495 -46.1926 79.649 -17.4503 -174.041 -53.8012 -55.3335 63.8297 114.251 PRESSAVG: 4229400 -91.8875 7.58946 -2.83709 7.58952 -10.2868 6.67118 -2.83712 6.67118 2.84009 GPRESSAVG: 4229400 -91.2353 8.63021 -4.00893 7.13349 -11.7541 4.42687 -4.26315 3.69367 3.6228 TIMING: 4229400 CPU: 13372, 0.00320485/step Wall: 13372, 0.00320485/step, 0.686015 hours remaining, 236.164062 MB of memory in use. ENERGY: 4229400 3979.2795 20471.3603 14450.7045 264.4740 -203351.2091 2661.5575 0.0000 0.0000 52182.6540 -109341.1794 299.8944 -161523.8334 -108980.9515 299.6406 -53.8479 -30.0796 762549.9372 -33.1114 -33.1222 PRESSURE: 4229600 -87.5575 204.418 -109.255 204.418 303.73 140.063 -109.255 140.063 222.928 GPRESSURE: 4229600 35.9114 107.715 -5.35581 166.347 339.979 160.331 -31.8871 142.511 156.537 PRESSAVG: 4229600 -64.6197 28.0562 -4.52626 28.0562 73.5214 -2.68749 -4.52625 -2.68755 22.3885 GPRESSAVG: 4229600 -65.1026 29.0063 -4.31856 28.6803 74.2825 -0.715238 -2.94545 -2.63392 22.0876 TIMING: 4229600 CPU: 13372.7, 0.0032071/step Wall: 13372.7, 0.0032071/step, 0.68632 hours remaining, 236.164062 MB of memory in use. ENERGY: 4229600 4089.7647 20584.8683 14456.9568 259.2884 -203709.0211 2846.6086 0.0000 0.0000 52015.6730 -109455.8613 298.9348 -161471.5342 -109107.4077 299.7188 146.3667 177.4757 761389.7789 10.4301 10.4225 PRESSURE: 4229800 199.419 20.5539 5.23679 20.5546 34.2175 80.1074 5.23639 80.1056 32.4674 GPRESSURE: 4229800 217.59 108.48 60.3915 -26.2439 56.5964 92.2231 -29.3699 116.406 73.0727 PRESSAVG: 4229800 -43.1925 83.1856 -41.4267 83.1856 7.59964 30.6931 -41.4266 30.6931 -1.41247 GPRESSAVG: 4229800 -43.8084 80.9287 -43.284 83.5247 7.41789 29.5716 -39.2867 31.9235 -0.260553 TIMING: 4229800 CPU: 13373.3, 0.00317679/step Wall: 13373.3, 0.00317679/step, 0.679656 hours remaining, 236.164062 MB of memory in use. ENERGY: 4229800 4044.2110 20497.9333 14496.1393 256.6658 -203863.8991 2684.5961 0.0000 0.0000 52247.6793 -109636.6743 300.2681 -161884.3536 -109268.4260 299.5269 88.7014 115.7532 759932.4681 -12.3351 -12.2170 PRESSURE: 4230000 -109.002 127.144 156.436 127.143 -187.189 146.644 156.436 146.645 46.1505 GPRESSURE: 4230000 -77.5419 -25.596 137.7 244.134 -92.9393 173.688 232.604 199.017 0.462778 PRESSAVG: 4230000 -30.8988 63.7524 4.5193 63.7524 15.9593 2.0749 4.51927 2.07482 9.25062 GPRESSAVG: 4230000 -30.5843 64.9149 4.90202 62.9611 16.609 2.74911 4.04512 0.191583 8.48504 TIMING: 4230000 CPU: 13373.9, 0.00320881/step Wall: 13373.9, 0.00320881/step, 0.686329 hours remaining, 236.164062 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: 4230000 3907.1707 20618.3505 14435.1149 235.4506 -203496.6276 2833.0347 0.0000 0.0000 51830.2533 -109637.2529 297.8692 -161467.5062 -109266.2286 299.1639 -83.3468 -56.6728 759919.2835 -1.8963 -1.8301 PRESSURE: 4230200 59.8928 12.6669 -143.156 12.6674 15.9173 -100.291 -143.155 -100.291 -373 GPRESSURE: 4230200 49.2577 102.713 -99.3259 33.1013 22.081 -51.5854 -110.996 -83.682 -302.215 PRESSAVG: 4230200 -4.65111 -17.4052 23.7727 -17.4052 31.2438 55.0777 23.7728 55.0776 5.86253 GPRESSAVG: 4230200 -5.32185 -17.1066 26.0237 -15.7885 31.2262 55.6263 23.0339 56.8147 6.18372 TIMING: 4230200 CPU: 13374.6, 0.00319649/step Wall: 13374.6, 0.00319649/step, 0.683516 hours remaining, 236.164062 MB of memory in use. ENERGY: 4230200 4027.5262 20569.1885 14452.8765 270.8443 -203777.0818 2825.7824 0.0000 0.0000 51977.2588 -109653.6051 298.7140 -161630.8640 -109284.3895 298.8284 -99.0633 -76.9589 761032.6518 10.8184 10.6960 PRESSURE: 4230400 -298.83 -25.5109 59.2337 -25.5103 -148.787 134.224 59.2336 134.223 -167.104 GPRESSURE: 4230400 -294.992 -98.8673 80.8487 -27.9098 -102.479 60.8926 14.6589 168.084 -142.645 PRESSAVG: 4230400 -22.3064 -39.3118 0.940577 -39.3118 67.8466 22.6214 0.940596 22.6213 13.3196 GPRESSAVG: 4230400 -21.5325 -40.2398 -0.587906 -39.9871 68.0608 22.7809 -0.574624 21.3214 12.7308 TIMING: 4230400 CPU: 13375.2, 0.00318013/step Wall: 13375.2, 0.00318013/step, 0.679841 hours remaining, 236.164062 MB of memory in use. ENERGY: 4230400 3994.4979 20598.7865 14381.0072 252.5222 -203917.7909 2751.9114 0.0000 0.0000 52292.3098 -109646.7559 300.5246 -161939.0657 -109270.6660 299.4324 -204.9069 -180.0385 759895.0063 19.6199 19.7530 PRESSURE: 4230600 -95.2618 -93.8097 132.804 -93.8095 130.817 130.858 132.805 130.857 285.441 GPRESSURE: 4230600 -90.7582 -28.3384 150.969 -70.9951 141.932 107.79 83.4121 29.7861 363.367 PRESSAVG: 4230600 -52.1174 -64.8671 38.0997 -64.8671 98.7586 24.4845 38.0997 24.4846 -6.81575 GPRESSAVG: 4230600 -51.5576 -66.4567 38.6884 -64.6655 98.7175 22.4757 37.9354 26.0297 -7.00016 TIMING: 4230600 CPU: 13375.9, 0.0032165/step Wall: 13375.9, 0.0032165/step, 0.687437 hours remaining, 236.164062 MB of memory in use. ENERGY: 4230600 3880.0133 20509.1488 14429.7802 236.6517 -203584.6731 2539.7821 0.0000 0.0000 52162.8227 -109826.4743 299.7805 -161989.2969 -109472.0454 299.3349 106.9987 138.1804 758985.3990 13.2752 13.3866 PRESSURE: 4230800 -82.9471 -52.7025 194.573 -52.7032 225.522 184.248 194.571 184.248 20.6386 GPRESSURE: 4230800 -19.2088 -91.6464 125.854 -35.2823 228.311 181.494 236.988 174.736 22.2865 PRESSAVG: 4230800 -65.3541 -18.7695 -13.4505 -18.7696 11.9191 89.1484 -13.4505 89.1484 13.1917 GPRESSAVG: 4230800 -65.3567 -18.8869 -14.4836 -17.0167 12.4416 91.725 -10.925 88.2182 12.7556 TIMING: 4230800 CPU: 13376.5, 0.00321103/step Wall: 13376.5, 0.00321103/step, 0.686091 hours remaining, 236.164062 MB of memory in use. ENERGY: 4230800 3995.1280 20580.8757 14344.6345 249.6463 -203182.9917 2256.1058 0.0000 0.0000 51838.9294 -109917.6720 297.9190 -161756.6013 -109550.5235 298.3255 54.4046 77.1294 760951.8019 -13.4144 -13.3865 PRESSURE: 4231000 130.285 44.6795 156.12 44.6801 -66.013 19.1411 156.121 19.1423 133.172 GPRESSURE: 4231000 190.461 66.1103 158.735 191.203 -25.8531 16.507 57.7014 -35.7521 117.989 PRESSAVG: 4231000 -10.5123 -18.0922 73.373 -18.0922 -7.37271 -42.9426 73.3731 -42.9425 -22.6019 GPRESSAVG: 4231000 -12.0027 -15.9456 73.8446 -20.042 -7.47271 -46.3156 70.7573 -43.5305 -21.1008 TIMING: 4231000 CPU: 13377.1, 0.0032217/step Wall: 13377.1, 0.0032217/step, 0.688191 hours remaining, 236.164062 MB of memory in use. ENERGY: 4231000 4001.4245 20487.0268 14454.6548 253.3231 -203340.4588 2479.9778 0.0000 0.0000 51696.0391 -109968.0127 297.0978 -161664.0519 -109606.3518 298.2054 65.8147 94.1988 759261.3107 -13.4956 -13.5254 PRESSURE: 4231200 551.557 70.8524 137.483 70.8521 76.2051 73.0143 137.484 73.014 -109.159 GPRESSURE: 4231200 592.03 85.1752 161.285 -18.7877 75.1045 107.228 177.674 -70.2779 -67.4566 PRESSAVG: 4231200 -24.0372 -10.0344 26.2425 -10.0343 -3.76004 4.40623 26.2425 4.40622 -1.35032 GPRESSAVG: 4231200 -22.8332 -11.1877 25.6286 -10.3838 -4.27242 6.2338 27.4036 6.24433 -1.64288 TIMING: 4231200 CPU: 13377.8, 0.00321164/step Wall: 13377.8, 0.00321164/step, 0.685863 hours remaining, 236.164062 MB of memory in use. ENERGY: 4231200 3958.7964 20457.1256 14472.6399 241.9224 -203558.1143 2461.6246 0.0000 0.0000 52077.4161 -109888.5893 299.2896 -161966.0053 -109520.7007 298.2713 172.8677 199.8926 759406.9739 -9.7159 -9.5828 PRESSURE: 4231400 -110.164 -280.438 264.953 -280.438 167.523 15.7442 264.954 15.7443 -146.63 GPRESSURE: 4231400 -90.3329 -273.021 217.235 -277.772 127.651 -5.78521 301.774 -42.8324 -33.5636 PRESSAVG: 4231400 18.4426 -10.792 16.2936 -10.7921 -10.259 8.25859 16.2935 8.25873 14.6101 GPRESSAVG: 4231400 18.5457 -9.00887 17.5743 -8.09445 -10.437 8.31032 16.7371 7.67371 15.0521 TIMING: 4231400 CPU: 13378.4, 0.00320829/step Wall: 13378.4, 0.00320829/step, 0.68497 hours remaining, 236.164062 MB of memory in use. ENERGY: 4231400 4009.9452 20594.1171 14449.3855 260.2025 -203065.4571 2221.0843 0.0000 0.0000 52011.6340 -109519.0885 298.9116 -161530.7225 -109152.1114 299.2589 -29.7571 1.2517 762134.2741 7.5979 7.7203 PRESSURE: 4231600 97.2145 54.4467 -82.9739 54.4472 -211.569 129.531 -82.9736 129.533 19.4461 GPRESSURE: 4231600 99.6147 33.7441 -96.5529 55.6881 -172.967 181.63 -73.9309 102.386 77.4417 PRESSAVG: 4231600 12.9686 1.25447 15.5836 1.25455 11.8751 12.9331 15.5836 12.9329 8.1326 GPRESSAVG: 4231600 12.9941 0.940218 12.904 -0.190862 10.6829 12.2337 15.2916 11.7702 9.35499 TIMING: 4231600 CPU: 13379.1, 0.00321527/step Wall: 13379.1, 0.00321527/step, 0.686282 hours remaining, 236.164062 MB of memory in use. ENERGY: 4231600 3965.2637 20505.4177 14429.7470 258.8476 -203220.3813 2458.6454 0.0000 0.0000 51935.3913 -109667.0686 298.4734 -161602.4599 -109300.5116 298.9929 -31.6363 1.3633 759743.9403 10.9921 11.0107 PRESSURE: 4231800 -39.5684 176.673 256.264 176.673 153.794 -63.2447 256.264 -63.244 203.872 GPRESSURE: 4231800 -33.1381 48.9098 242.708 103.458 212.75 -57.7878 183.248 11.6678 239.385 PRESSAVG: 4231800 25.0727 -19.4665 -21.4421 -19.4665 2.16683 9.76411 -21.442 9.76415 -16.3689 GPRESSAVG: 4231800 25.0183 -19.5879 -19.8483 -20.7713 4.23323 10.1166 -21.4956 9.74916 -18.3389 TIMING: 4231800 CPU: 13379.7, 0.0032132/step Wall: 13379.7, 0.0032132/step, 0.685661 hours remaining, 236.164062 MB of memory in use. ENERGY: 4231800 4042.7895 20499.2012 14484.9406 254.5931 -203400.8066 2623.4183 0.0000 0.0000 52107.5466 -109388.3173 299.4628 -161495.8639 -109029.5800 299.1489 106.0327 139.6656 759637.4694 3.6235 3.6375 PRESSURE: 4232000 361.459 -274.693 -173.691 -274.693 -368.33 -84.9155 -173.69 -84.9151 217.85 GPRESSURE: 4232000 301.273 -187.628 -133.509 -232.892 -246.743 -75.4903 -160.799 -27.0005 250.884 PRESSAVG: 4232000 32.7367 -25.6455 2.10318 -25.6455 -32.0247 34.8385 2.10314 34.8385 5.22222 GPRESSAVG: 4232000 30.9901 -26.1158 1.85335 -23.1264 -32.5066 34.8254 3.14788 34.5975 6.99717 TIMING: 4232000 CPU: 13380.4, 0.00322321/step Wall: 13380.4, 0.00322321/step, 0.687618 hours remaining, 236.164062 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: 4232000 3996.1293 20431.2460 14457.5166 228.6392 -203218.8491 2545.4184 0.0000 0.0000 52186.3779 -109373.5217 299.9158 -161559.8996 -109013.4276 299.9353 70.3262 101.8045 761003.8009 1.9781 1.8269 PRESSURE: 4232200 -379.329 -76.957 88.9805 -76.9567 92.7028 14.4586 88.9807 14.4579 -480.557 GPRESSURE: 4232200 -340.203 -93.9754 -18.2243 -67.0835 88.0788 32.1804 57.2782 -93.9304 -428.059 PRESSAVG: 4232200 28.2439 -4.63594 12.0579 -4.63591 19.4164 -46.3392 12.0579 -46.3392 -20.1627 GPRESSAVG: 4232200 29.6054 -4.84474 10.9027 -5.85033 18.9884 -45.8659 11.3708 -46.2516 -21.1882 TIMING: 4232200 CPU: 13381, 0.00321316/step Wall: 13381, 0.00321316/step, 0.685295 hours remaining, 236.164062 MB of memory in use. ENERGY: 4232200 4048.4603 20452.3130 14388.0370 238.0461 -202893.2941 2231.4919 0.0000 0.0000 52116.2802 -109418.6657 299.5130 -161534.9459 -109062.2953 299.5885 -255.7280 -226.7275 762408.4424 9.1659 9.1352 LDB: ============= START OF LOAD BALANCING ============== 13393.5 LDB: ============== END OF LOAD BALANCING =============== 13393.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13393.5 LDB: ============= START OF LOAD BALANCING ============== 13393.9 LDB: Largest compute 7075 load 0.034986 is 17.9% of average load 0.195477 LDB: Average compute 0.004398 is 2.2% of average load 0.195477 LDB: TIME 13393.9 LOAD: AVG 0.195477 MAX 0.213636 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 13393.9 LOAD: AVG 0.195477 MAX 0.213636 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: TIME 13393.9 LOAD: AVG 0.195477 MAX 0.213636 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: ============== END OF LOAD BALANCING =============== 13393.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13393.9 PRESSURE: 4232400 49.1552 195.834 38.0573 195.835 135.38 -96.538 38.0573 -96.5378 12.4892 GPRESSURE: 4232400 52.6768 302.328 -15.4819 121.47 156.437 -51.5017 107.72 -137.528 78.2197 PRESSAVG: 4232400 -72.9017 -21.5583 46.9793 -21.5583 5.27445 -26.426 46.9793 -26.426 2.60102 GPRESSAVG: 4232400 -73.3474 -20.4143 46.3299 -22.7572 6.3588 -25.473 46.8546 -28.3678 2.01314 TIMING: 4232400 CPU: 13381.7, 0.0032888/step Wall: 13381.7, 0.0032888/step, 0.701246 hours remaining, 234.847656 MB of memory in use. ENERGY: 4232400 3969.5778 20459.5410 14422.0633 255.7219 -202924.5877 2446.3892 0.0000 0.0000 51943.2027 -109428.0919 298.5183 -161371.2946 -109062.8321 298.9839 65.6748 95.7778 761796.8126 -21.6754 -21.6585 PRESSURE: 4232600 -142.994 -150.908 203.067 -150.908 -151.932 21.4835 203.067 21.4839 368.469 GPRESSURE: 4232600 -93.5924 -133.073 145.059 -179.707 -155.126 12.1713 248.059 -49.6885 417.318 PRESSAVG: 4232600 -22.3246 -46.3157 34.9702 -46.3158 46.8697 -43.2668 34.9702 -43.2668 13.6947 GPRESSAVG: 4232600 -23.7001 -46.4208 37.6714 -46.0167 47.6852 -46.3419 35.6608 -39.2049 14.0652 TIMING: 4232600 CPU: 13382.3, 0.00320209/step Wall: 13382.3, 0.00320209/step, 0.682579 hours remaining, 234.921875 MB of memory in use. ENERGY: 4232600 3955.5734 20580.9264 14409.7738 241.6899 -203557.1978 2719.0980 0.0000 0.0000 52077.9156 -109572.2207 299.2925 -161650.1363 -109208.6294 299.3395 24.5143 56.1998 761141.4453 12.7466 12.6834 PRESSURE: 4232800 473.543 21.6588 38.2403 21.6588 165.126 -260.149 38.2396 -260.148 126.474 GPRESSURE: 4232800 468.419 10.4616 39.0053 13.2423 246.238 -194.72 65.8066 -130.372 133.871 PRESSAVG: 4232800 4.91652 -34.2099 27.9753 -34.2098 45.3568 17.3839 27.9753 17.3838 -11.5442 GPRESSAVG: 4232800 7.02718 -33.5099 27.2078 -33.7194 43.7467 20.8459 24.9635 16.8558 -11.7028 TIMING: 4232800 CPU: 13382.9, 0.00320481/step Wall: 13382.9, 0.00320481/step, 0.68298 hours remaining, 235.125000 MB of memory in use. ENERGY: 4232800 3944.7913 20406.7006 14437.7128 250.0678 -203629.8567 2799.2040 0.0000 0.0000 52132.9529 -109658.4273 299.6088 -161791.3802 -109296.2603 298.8772 255.0477 282.8427 759622.0881 12.9097 13.0237 PRESSURE: 4233000 3.83058 149.369 -118.643 149.369 310.691 179.809 -118.643 179.809 -284.501 GPRESSURE: 4233000 15.7995 22.7464 -84.139 52.1612 346.97 164.16 -18.2194 -15.8305 -266.278 PRESSAVG: 4233000 3.94725 -75.3245 11.6808 -75.3245 30.029 -3.62839 11.6807 -3.62836 6.61754 GPRESSAVG: 4233000 3.25169 -78.1661 11.9458 -75.6267 29.914 -4.93846 10.8859 -5.88758 6.41811 TIMING: 4233000 CPU: 13383.6, 0.00321444/step Wall: 13383.6, 0.00321444/step, 0.684855 hours remaining, 235.125000 MB of memory in use. ENERGY: 4233000 3953.8335 20590.7566 14476.3026 231.4345 -203509.4303 2476.2942 0.0000 0.0000 52089.6230 -109691.1859 299.3598 -161780.8089 -109328.3915 298.7309 10.0070 32.1640 761134.7921 13.5312 13.1946 PRESSURE: 4233200 216.933 -90.8628 -344.878 -90.8634 176.508 -113.934 -344.879 -113.934 279.461 GPRESSURE: 4233200 278.799 -128.653 -362.776 -65.5638 225.096 -144.503 -256.047 -177.933 267.422 PRESSAVG: 4233200 -21.8572 -41.0711 -32.5178 -41.0712 5.8646 6.15082 -32.5178 6.15082 -4.1256 GPRESSAVG: 4233200 -21.1764 -39.0869 -33.7672 -41.4369 5.18655 4.97305 -29.9576 6.96358 -4.28841 TIMING: 4233200 CPU: 13384.2, 0.00321444/step Wall: 13384.2, 0.00321444/step, 0.684675 hours remaining, 235.125000 MB of memory in use. ENERGY: 4233200 3948.5671 20513.3313 14468.9020 261.6080 -203490.3673 2811.5924 0.0000 0.0000 51997.6447 -109488.7218 298.8312 -161486.3665 -109129.4286 299.3340 224.3008 257.1056 761601.7074 -6.7061 -6.7594 PRESSURE: 4233400 -345.954 110.981 91.9427 110.981 -34.8487 82.9762 91.9446 82.9759 517.25 GPRESSURE: 4233400 -206.145 135.47 9.47097 43.7296 -62.2132 75.0088 144.172 185.654 460.698 PRESSAVG: 4233400 56.9957 -16.3746 6.92657 -16.3747 -8.53243 -2.82531 6.92663 -2.82528 -3.14197 GPRESSAVG: 4233400 55.7573 -17.5379 7.63829 -15.4716 -8.2211 -1.73443 7.11137 -0.886848 -2.72237 TIMING: 4233400 CPU: 13384.9, 0.00323497/step Wall: 13384.9, 0.00323497/step, 0.688869 hours remaining, 235.125000 MB of memory in use. ENERGY: 4233400 3881.6339 20674.5245 14504.5151 263.0896 -203281.1926 2503.1287 0.0000 0.0000 51907.7660 -109546.5346 298.3146 -161454.3007 -109182.2145 299.4173 45.4826 64.1131 761454.3266 15.1071 14.9379 PRESSURE: 4233600 -53.571 -86.1794 51.3671 -86.1785 52.719 131.409 51.3667 131.408 -417.551 GPRESSURE: 4233600 14.0061 10.0344 58.6267 -122.143 61.8188 104.085 85.9774 190.656 -418.168 PRESSAVG: 4233600 27.9747 -17.2025 45.1352 -17.2025 -51.4224 39.334 45.1352 39.3339 24.9474 GPRESSAVG: 4233600 29.087 -16.3684 43.5456 -17.7282 -51.5523 39.5154 45.6906 38.1539 23.7084 TIMING: 4233600 CPU: 13385.5, 0.00320716/step Wall: 13385.5, 0.00320716/step, 0.682769 hours remaining, 235.125000 MB of memory in use. ENERGY: 4233600 3976.6084 20560.0015 14493.4805 245.4186 -203228.3442 2507.2561 0.0000 0.0000 52043.4628 -109402.1164 299.0945 -161445.5792 -109043.2225 299.1124 -139.4676 -114.1145 761872.5644 0.4999 0.4144 PRESSURE: 4233800 -125.671 104.312 -153.559 104.312 -109.543 -121.02 -153.559 -121.019 -341.981 GPRESSURE: 4233800 -41.0705 -45.8904 -100.718 136.543 -195.181 -16.275 -222.481 -206.599 -259.106 PRESSAVG: 4233800 42.2601 16.9975 -25.2917 16.9975 10.2698 15.5815 -25.2918 15.5815 -4.14569 GPRESSAVG: 4233800 41.8089 17.328 -23.8168 17.3866 9.79395 16.123 -26.5827 13.9846 -2.98123 TIMING: 4233800 CPU: 13386.2, 0.00319995/step Wall: 13386.2, 0.00319995/step, 0.681056 hours remaining, 235.125000 MB of memory in use. ENERGY: 4233800 4053.5818 20657.9063 14505.7080 259.2033 -203329.7422 2550.2022 0.0000 0.0000 51872.5020 -109430.6385 298.1120 -161303.1405 -109084.8700 299.3125 -192.3986 -165.1191 760347.3102 16.1280 16.2072 PRESSURE: 4234000 -216.887 -4.55109 -126.421 -4.55011 -176.115 -353.548 -126.422 -353.549 70.8919 GPRESSURE: 4234000 -145.172 61.6573 -132.905 16.4333 -122.135 -371.843 10.9208 -358.805 31.9714 PRESSAVG: 4234000 -1.7511 44.396 14.55 44.3961 20.5685 -1.64416 14.55 -1.64417 -6.69716 GPRESSAVG: 4234000 -2.61525 42.8311 15.9275 45.3841 21.1594 -1.70756 15.2858 0.208732 -6.46771 TIMING: 4234000 CPU: 13386.8, 0.0032063/step Wall: 13386.8, 0.0032063/step, 0.68223 hours remaining, 235.125000 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: 4234000 4035.0797 20714.1960 14457.8662 251.8384 -203716.4048 2728.3694 0.0000 0.0000 52014.0951 -109514.9600 298.9257 -161529.0550 -109172.1761 299.1410 -107.3701 -78.4452 761694.4567 4.0401 4.0255 PRESSURE: 4234200 -72.7577 16.8352 0.00506504 16.8345 -160.257 239.461 0.00533298 239.461 -87.3926 GPRESSURE: 4234200 -45.1041 40.7897 34.3974 -79.8097 -173.713 244.79 -96.3518 89.2855 -8.86696 PRESSAVG: 4234200 22.4744 16.0646 42.941 16.0646 7.32774 -89.4554 42.941 -89.4554 24.6833 GPRESSAVG: 4234200 22.3992 15.719 41.1313 12.7009 6.92872 -90.551 41.8082 -88.6326 25.1839 TIMING: 4234200 CPU: 13387.4, 0.00320334/step Wall: 13387.4, 0.00320334/step, 0.681422 hours remaining, 235.125000 MB of memory in use. ENERGY: 4234200 3942.6712 20596.4738 14493.7965 254.1709 -202896.1405 2272.2971 0.0000 0.0000 51710.4166 -109626.3145 297.1805 -161336.7310 -109262.0556 299.1924 -106.8024 -75.8948 762435.1336 18.1618 18.1706 PRESSURE: 4234400 -206.939 -38.812 -93.3047 -38.8109 71.5377 37.2736 -93.3045 37.2735 -50.5956 GPRESSURE: 4234400 -176.124 -11.0973 -44.5823 -19.6468 135.039 39.6388 14.8454 3.56061 -53.7454 PRESSAVG: 4234400 -45.3077 -13.9559 17.8998 -13.9559 51.768 -27.7434 17.8998 -27.7432 -24.1258 GPRESSAVG: 4234400 -44.5567 -13.4711 17.8915 -12.7311 51.4361 -27.15 19.933 -28.0469 -25.2774 TIMING: 4234400 CPU: 13388.1, 0.00321398/step Wall: 13388.1, 0.00321398/step, 0.683507 hours remaining, 235.125000 MB of memory in use. ENERGY: 4234400 3995.9457 20598.9939 14439.0518 252.4601 -203516.2208 2516.2353 0.0000 0.0000 52037.1090 -109676.4250 299.0580 -161713.5340 -109313.6590 299.1574 -61.9988 -31.6102 760455.6647 -5.8885 -6.1327 PRESSURE: 4234600 139.369 -62.8768 128.655 -62.8759 76.9312 -173.753 128.654 -173.753 -277.804 GPRESSURE: 4234600 209.988 -101.286 87.0798 -123.681 58.575 -209.341 258.192 -158.422 -241.256 PRESSAVG: 4234600 -8.90899 -21.0221 26.1219 -21.0221 -9.41393 -32.314 26.122 -32.314 13.5331 GPRESSAVG: 4234600 -9.90413 -19.6536 26.3881 -21.391 -8.80124 -33.4082 26.2765 -34.2132 13.7525 TIMING: 4234600 CPU: 13388.7, 0.00322714/step Wall: 13388.7, 0.00322714/step, 0.686126 hours remaining, 235.125000 MB of memory in use. ENERGY: 4234600 3986.5821 20679.3927 14497.8012 226.6024 -203283.3500 2555.9792 0.0000 0.0000 51769.8000 -109567.1923 297.5218 -161336.9924 -109212.5843 299.4003 -20.5012 9.1022 762204.3820 -1.5966 -1.6510 PRESSURE: 4234800 -367.804 98.4007 58.3169 98.402 203.483 129.078 58.3172 129.077 -210.436 GPRESSURE: 4234800 -295.387 14.2466 53.4104 123.336 343.858 245.532 -21.3872 167.975 -328.349 PRESSAVG: 4234800 -52.1453 19.0333 29.9283 19.0333 70.5856 -10.6649 29.9283 -10.6649 -8.66468 GPRESSAVG: 4234800 -51.6963 16.67 29.9357 20.8106 71.2072 -7.88055 27.3076 -10.4283 -9.67692 TIMING: 4234800 CPU: 13389.4, 0.00321044/step Wall: 13389.4, 0.00321044/step, 0.682397 hours remaining, 235.125000 MB of memory in use. ENERGY: 4234800 3990.1415 20565.1765 14447.2279 255.8363 -203550.8502 2519.6120 0.0000 0.0000 52192.2518 -109580.6043 299.9496 -161772.8561 -109220.5047 299.1929 -124.9190 -93.2923 763650.0315 3.2586 3.2780 PRESSURE: 4235000 148.321 -39.8463 29.6757 -39.8465 139.353 -155.391 29.676 -155.391 5.29927 GPRESSURE: 4235000 234.065 17.4046 83.1387 86.854 94.4938 -151.721 61.7661 -175.596 66.059 PRESSAVG: 4235000 -48.1386 6.87669 37.9063 6.87671 69.5121 11.881 37.9063 11.881 -7.81291 GPRESSAVG: 4235000 -48.0939 9.71955 36.7669 7.76873 67.7776 9.32453 40.6413 13.185 -6.44726 TIMING: 4235000 CPU: 13390, 0.00319912/step Wall: 13390, 0.00319912/step, 0.679814 hours remaining, 235.125000 MB of memory in use. ENERGY: 4235000 4051.3099 20443.5505 14555.5334 249.7057 -203994.7730 3054.8797 0.0000 0.0000 52315.5434 -109324.2503 300.6581 -161639.7937 -108961.1350 299.1619 97.6579 131.5392 761208.1366 4.5202 4.4121 PRESSURE: 4235200 -61.9257 148.585 17.6057 148.585 295.58 3.93441 17.6056 3.93437 -36.5696 GPRESSURE: 4235200 -96.7422 142.158 8.96337 198.909 396.089 1.33753 14.9657 -35.5505 -19.5421 PRESSAVG: 4235200 -70.8948 -22.0275 13.9613 -22.0275 97.9686 -41.6789 13.9613 -41.6789 17.1093 GPRESSAVG: 4235200 -71.4551 -22.4717 14.4689 -25.0246 97.6149 -41.9949 13.1024 -41.7918 17.9141 TIMING: 4235200 CPU: 13390.7, 0.00321698/step Wall: 13390.7, 0.00321698/step, 0.68343 hours remaining, 235.125000 MB of memory in use. ENERGY: 4235200 3968.4968 20570.0582 14613.2893 239.4373 -203367.7498 2434.0907 0.0000 0.0000 52171.3425 -109371.0350 299.8294 -161542.3775 -109016.0680 299.6840 65.6948 93.2681 760044.2464 14.7277 14.6913 PRESSURE: 4235400 -275.131 -50.0468 255.714 -50.0475 18.9761 5.87486 255.716 5.87491 343.941 GPRESSURE: 4235400 -255.206 -156.369 230.192 34.7128 55.3132 65.2419 238.072 -24.5178 370.506 PRESSAVG: 4235400 -8.17351 -6.43464 34.0155 -6.43456 6.99578 -32.1366 34.0155 -32.1366 -14.4375 GPRESSAVG: 4235400 -8.35741 -8.79418 33.8084 -4.68146 7.56297 -30.3353 31.9741 -31.7288 -14.9266 TIMING: 4235400 CPU: 13391.3, 0.00321857/step Wall: 13391.3, 0.00321857/step, 0.683588 hours remaining, 235.125000 MB of memory in use. ENERGY: 4235400 3973.8117 20533.0236 14607.1676 240.3747 -203316.6415 2592.8515 0.0000 0.0000 52054.2111 -109315.2013 299.1563 -161369.4124 -108960.5350 299.1710 29.2623 56.8711 761995.6734 -5.2051 -5.2403 PRESSURE: 4235600 80.2735 -135.885 5.89592 -135.886 428.504 248.918 5.89606 248.918 -63.2116 GPRESSURE: 4235600 73.9086 -169.891 -70.1549 -69.4439 464.405 203.07 21.882 179.248 -11.8348 PRESSAVG: 4235600 -9.03839 -24.6894 33.1293 -24.6894 17.0879 68.7434 33.1293 68.7434 10.3378 GPRESSAVG: 4235600 -7.83187 -21.4587 33.7579 -24.2356 16.8628 67.8151 33.5069 65.7131 9.04695 TIMING: 4235600 CPU: 13391.9, 0.00321009/step Wall: 13391.9, 0.00321009/step, 0.68161 hours remaining, 235.125000 MB of memory in use. ENERGY: 4235600 3964.7638 20642.0881 14510.9738 232.9048 -203652.8757 2868.1088 0.0000 0.0000 52452.6159 -108981.4205 301.4459 -161434.0364 -108627.0144 299.5361 148.5220 175.4928 760163.1199 6.1291 6.0260 PRESSURE: 4235800 -191.46 183.076 40.4375 183.077 -319.576 -68.6979 40.4383 -68.6979 148.488 GPRESSURE: 4235800 -205.739 134.316 23.8727 221.665 -212.615 -185.114 29.5095 -72.5053 157.148 PRESSAVG: 4235800 -84.5645 -1.29136 52.5991 -1.29133 49.6655 78.1809 52.5991 78.1809 -7.3511 GPRESSAVG: 4235800 -85.6242 -3.9749 53.0092 -2.34714 49.841 76.2624 52.7644 80.3926 -7.05255 TIMING: 4235800 CPU: 13392.6, 0.00321087/step Wall: 13392.6, 0.00321087/step, 0.681595 hours remaining, 235.125000 MB of memory in use. ENERGY: 4235800 4013.8400 20578.8067 14563.7713 260.4340 -203433.4036 2690.1667 0.0000 0.0000 52140.8039 -109185.5810 299.6539 -161326.3849 -108822.8205 300.1739 -120.8495 -87.0685 762710.4162 -14.0834 -14.2786 PRESSURE: 4236000 220.325 -143.708 -123.671 -143.708 -11.2502 -174.432 -123.67 -174.431 61.6216 GPRESSURE: 4236000 126.179 -197.222 -161.727 -157.614 176.33 -245.992 -119.556 -108.591 66.3353 PRESSAVG: 4236000 8.3745 -24.2851 -36.469 -24.2851 -17.9697 -29.8573 -36.4689 -29.8572 -5.25749 GPRESSAVG: 4236000 8.35615 -24.008 -37.1808 -23.8603 -18.2319 -28.9205 -35.2688 -29.9713 -5.44732 TIMING: 4236000 CPU: 13393.2, 0.0031922/step Wall: 13393.2, 0.0031922/step, 0.677456 hours remaining, 235.125000 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: 4236000 4059.6246 20643.5407 14503.0910 220.6841 -203502.3220 2669.1756 0.0000 0.0000 52206.5558 -109199.6501 300.0318 -161406.2059 -108848.1618 299.7187 90.2320 122.9480 760862.3294 -4.9509 -5.1077 PRESSURE: 4236200 84.2517 -18.2061 56.0778 -18.2057 -483.308 -140.15 56.0784 -140.151 -4.16443 GPRESSURE: 4236200 111.076 -3.55517 69.7415 -57.7735 -437.438 -141.949 -34.7282 -112.708 9.5778 PRESSAVG: 4236200 -21.1032 21.9024 13.4929 21.9023 19.7021 -20.3606 13.4929 -20.3607 4.04295 GPRESSAVG: 4236200 -21.4388 22.1631 13.1472 22.43 19.9397 -21.507 14.8409 -19.7174 4.75916 TIMING: 4236200 CPU: 13393.9, 0.00321591/step Wall: 13393.9, 0.00321591/step, 0.682309 hours remaining, 235.125000 MB of memory in use. ENERGY: 4236200 4029.0056 20553.1724 14499.3510 248.7321 -203160.2411 2368.2377 0.0000 0.0000 52228.6061 -109233.1362 300.1585 -161461.7422 -108863.4536 299.9350 -134.4068 -105.5945 760241.0282 0.8806 1.0867 LDB: ============= START OF LOAD BALANCING ============== 13406.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13406.4 LDB: =============== DONE WITH MIGRATION ================ 13406.4 LDB: ============= START OF LOAD BALANCING ============== 13406.7 LDB: Largest compute 7076 load 0.035238 is 18.0% of average load 0.195472 LDB: Average compute 0.004428 is 2.3% of average load 0.195472 LDB: TIME 13406.7 LOAD: AVG 0.195472 MAX 0.215747 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.977 MB LDB: TIME 13406.7 LOAD: AVG 0.195472 MAX 0.215747 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.18 MB LDB: TIME 13406.7 LOAD: AVG 0.195472 MAX 0.215747 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.18 MB LDB: ============== END OF LOAD BALANCING =============== 13406.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13406.7 PRESSURE: 4236400 382.198 -190.954 -61.7297 -190.954 219.814 76.5347 -61.7297 76.5365 177.128 GPRESSURE: 4236400 359.768 -79.7466 -76.8635 -52.1975 270.085 139.957 -74.9014 -75.2327 226.302 PRESSAVG: 4236400 32.1818 33.8821 15.7163 33.8822 15.9768 -57.6375 15.7163 -57.6376 -14.7093 GPRESSAVG: 4236400 31.9472 36.0593 14.8407 33.447 16.4389 -58.1796 15.0707 -59.59 -14.5264 TIMING: 4236400 CPU: 13394.5, 0.00329358/step Wall: 13394.5, 0.00329358/step, 0.698605 hours remaining, 235.722656 MB of memory in use. ENERGY: 4236400 3900.1704 20560.8953 14494.1714 272.3969 -203469.0392 2472.8741 0.0000 0.0000 52506.4520 -109262.0792 301.7553 -161768.5312 -108887.9504 299.7835 259.7132 285.3850 759366.9657 11.1498 11.2866 PRESSURE: 4236600 -7.82908 55.2359 85.5384 55.2363 -174.455 38.1874 85.5383 38.1873 -159.919 GPRESSURE: 4236600 61.3557 100.064 137.474 78.0467 -173.682 8.20753 200.576 36.9099 -141.537 PRESSAVG: 4236600 5.72233 -17.685 39.2276 -17.6849 -25.4 -12.3913 39.2276 -12.3913 -6.07031 GPRESSAVG: 4236600 6.20271 -19.5743 40.186 -18.8722 -26.9794 -9.64659 37.9572 -12.4509 -5.17875 TIMING: 4236600 CPU: 13395.2, 0.00323066/step Wall: 13395.2, 0.00323066/step, 0.685079 hours remaining, 235.722656 MB of memory in use. ENERGY: 4236600 4104.6408 20640.2431 14556.6931 233.9330 -202816.5459 2005.7880 0.0000 0.0000 52017.8208 -109257.4272 298.9471 -161275.2479 -108901.8576 299.8818 -114.0674 -84.6211 760897.6120 -8.5826 -8.6518 PRESSURE: 4236800 12.8509 -169.216 102.442 -169.216 150.961 -3.48723 102.443 -3.48763 232.94 GPRESSURE: 4236800 -12.1493 -197.418 172.714 -84.5757 235.795 13.1438 32.6491 152.426 270.781 PRESSAVG: 4236800 -42.3834 -16.0031 4.59314 -16.0031 10.8748 49.6433 4.59326 49.6433 -0.889639 GPRESSAVG: 4236800 -43.0012 -16.9971 4.91062 -14.8132 12.7604 48.6697 5.22907 50.1327 -2.29978 TIMING: 4236800 CPU: 13395.8, 0.00321764/step Wall: 13395.8, 0.00321764/step, 0.682141 hours remaining, 235.722656 MB of memory in use. ENERGY: 4236800 4000.8903 20554.8277 14538.5882 236.9696 -203452.9356 2638.0662 0.0000 0.0000 52210.7991 -109272.7944 300.0562 -161483.5936 -108910.4589 299.6778 132.2505 164.8087 758747.3316 -10.7994 -10.8468 PRESSURE: 4237000 -202.973 -119.134 -34.8046 -119.134 57.2505 -30.0237 -34.8046 -30.0232 46.8338 GPRESSURE: 4237000 -92.6772 -111.608 43.2595 -66.6557 -38.3076 0.368833 78.5882 -152.208 101.956 PRESSAVG: 4237000 -15.1611 -0.834428 2.22182 -0.834471 8.95432 -48.11 2.22181 -48.1101 22.2512 GPRESSAVG: 4237000 -15.0326 1.33788 1.23075 -1.3503 8.1963 -48.995 3.34797 -47.2324 22.5628 TIMING: 4237000 CPU: 13396.5, 0.00320449/step Wall: 13396.5, 0.00320449/step, 0.679175 hours remaining, 235.722656 MB of memory in use. ENERGY: 4237000 4057.4258 20512.6815 14596.3164 269.3105 -203240.6749 2526.1356 0.0000 0.0000 51879.1181 -109399.6870 298.1500 -161278.8051 -109037.0732 299.3704 -32.9629 -9.6762 760184.8407 5.3481 5.2422 PRESSURE: 4237200 53.5293 229.549 13.3414 229.549 155.058 40.5443 13.3422 40.5444 -227.921 GPRESSURE: 4237200 118.649 144.753 94.3329 239.11 134.404 8.17757 -73.4529 107.275 -193.528 PRESSAVG: 4237200 8.38182 66.6279 11.6367 66.6279 -26.2536 17.3877 11.6368 17.3878 11.2811 GPRESSAVG: 4237200 9.53111 65.7191 13.0932 66.2619 -26.7323 18.5845 10.3961 15.5761 10.575 TIMING: 4237200 CPU: 13397.1, 0.00320716/step Wall: 13397.1, 0.00320716/step, 0.679563 hours remaining, 235.722656 MB of memory in use. ENERGY: 4237200 3992.0646 20505.1191 14531.1963 239.8111 -203180.2884 2622.8849 0.0000 0.0000 51823.3153 -109465.8972 297.8293 -161289.2125 -109105.6453 298.7540 -6.4444 19.8418 761162.0739 -2.1969 -2.2087 PRESSURE: 4237400 -323.328 96.6517 105.272 96.6515 -127.567 -71.9698 105.272 -71.9689 -409.866 GPRESSURE: 4237400 -264.197 94.6619 155.88 1.68146 -142.766 -16.7223 157.86 -125.405 -357.636 PRESSAVG: 4237400 -10.2907 14.4876 -0.0859349 14.4876 40.7635 59.6637 -0.0858903 59.6637 -5.78298 GPRESSAVG: 4237400 -11.6777 13.7192 -2.77866 13.9033 41.0458 58.6106 0.597567 61.2521 -5.08407 TIMING: 4237400 CPU: 13397.7, 0.00320194/step Wall: 13397.7, 0.00320194/step, 0.678278 hours remaining, 235.722656 MB of memory in use. ENERGY: 4237400 4114.2859 20391.7325 14548.3682 243.9238 -202819.5059 2002.4093 0.0000 0.0000 52039.0435 -109479.7427 299.0691 -161518.7862 -109117.2011 299.2598 -286.9204 -254.8664 761405.7023 8.2299 8.0946 PRESSURE: 4237600 -22.8948 -51.9172 -10.6688 -51.9165 218.281 -117.127 -10.668 -117.126 -9.69823 GPRESSURE: 4237600 -8.57534 -43.1351 -76.8898 -3.45574 272.198 -229.463 -31.4519 -62.5956 39.9935 PRESSAVG: 4237600 -33.4903 26.0001 -9.3524 26.0001 32.8566 1.0293 -9.35233 1.02922 -17.2016 GPRESSAVG: 4237600 -32.2449 25.9475 -7.40654 26.255 32.1371 2.65022 -9.65248 1.53773 -17.2786 TIMING: 4237600 CPU: 13398.4, 0.00321892/step Wall: 13398.4, 0.00321892/step, 0.681696 hours remaining, 235.722656 MB of memory in use. ENERGY: 4237600 4040.2445 20396.6152 14493.2532 239.7939 -203249.7047 2544.6712 0.0000 0.0000 52214.8215 -109320.3051 300.0793 -161535.1267 -108952.3298 299.3118 61.8961 101.2053 760458.1292 -5.9451 -5.7955 PRESSURE: 4237800 -208 139.591 131.898 139.591 -241.643 139.182 131.897 139.181 -158.849 GPRESSURE: 4237800 -184.844 112.125 158.477 144.873 -169.278 64.6093 120.547 122.164 -167.836 PRESSAVG: 4237800 -21.6413 -16.7955 52.9381 -16.7954 2.89604 1.47534 52.938 1.47531 39.2734 GPRESSAVG: 4237800 -23.6885 -17.5788 52.6854 -14.3756 3.65093 -0.892772 52.0805 2.14433 40.0562 TIMING: 4237800 CPU: 13399, 0.00323701/step Wall: 13399, 0.00323701/step, 0.685347 hours remaining, 235.722656 MB of memory in use. ENERGY: 4237800 4037.6866 20488.0425 14537.4156 232.5144 -203267.5485 2618.2132 0.0000 0.0000 52005.7552 -109347.9209 298.8778 -161353.6761 -108988.1011 299.4183 -202.8304 -173.9860 763471.9710 6.8427 6.6729 PRESSURE: 4238000 -164.272 83.961 -42.7918 83.9612 -305.993 -1.00839 -42.7915 -1.00827 -213.708 GPRESSURE: 4238000 -140.42 43.6637 -93.7295 128.701 -244.292 -73.8549 -147.698 -130.463 -204.738 PRESSAVG: 4238000 2.36919 23.5715 -11.3857 23.5715 51.8219 3.36131 -11.3858 3.36133 -13.7996 GPRESSAVG: 4238000 2.57758 22.8936 -10.8716 22.3941 51.9927 3.26097 -12.8226 1.97251 -13.7607 TIMING: 4238000 CPU: 13399.7, 0.00320759/step Wall: 13399.7, 0.00320759/step, 0.678939 hours remaining, 235.722656 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: 4238000 3985.2226 20507.5712 14492.8748 226.8991 -203422.7655 2598.1904 0.0000 0.0000 52025.4570 -109586.5505 298.9910 -161612.0075 -109227.0658 299.2537 -227.9913 -196.4832 762117.6239 13.4638 13.6032 PRESSURE: 4238200 16.3615 36.6989 160 36.6988 47.4491 -13.7866 160.001 -13.7854 121.432 GPRESSURE: 4238200 40.3289 -38.3348 187.183 -76.1148 41.2126 27.8534 216.395 -43.3781 190.984 PRESSAVG: 4238200 0.793091 -28.736 18.9735 -28.7361 -29.303 -1.77114 18.9735 -1.77112 11.8629 GPRESSAVG: 4238200 1.30985 -27.2245 18.8152 -31.9256 -30.3709 0.102198 19.7383 -2.72316 12.2309 TIMING: 4238200 CPU: 13400.3, 0.00321474/step Wall: 13400.3, 0.00321474/step, 0.680274 hours remaining, 235.722656 MB of memory in use. ENERGY: 4238200 3945.6002 20399.0313 14533.0955 254.0639 -203806.2379 2952.3246 0.0000 0.0000 51944.8389 -109777.2836 298.5277 -161722.1225 -109412.0484 298.4365 61.7476 90.8417 760303.1914 -5.5490 -5.6101 PRESSURE: 4238400 44.4732 89.3952 55.897 89.3957 69.6277 -110.874 55.8974 -110.875 138.376 GPRESSURE: 4238400 7.70112 56.5184 62.7425 19.9446 184.327 -51.6922 -67.871 -29.9297 136.578 PRESSAVG: 4238400 37.8731 -16.9999 -32.0571 -16.9998 14.1502 -24.4029 -32.0572 -24.403 -9.97008 GPRESSAVG: 4238400 38.0374 -16.8552 -30.9395 -15.8262 15.5807 -22.7819 -34.0832 -24.1172 -11.6261 TIMING: 4238400 CPU: 13401, 0.00320348/step Wall: 13401, 0.00320348/step, 0.677714 hours remaining, 235.722656 MB of memory in use. ENERGY: 4238400 3984.6466 20231.6095 14539.2393 249.7739 -203470.1547 2722.4300 0.0000 0.0000 52125.0299 -109617.4255 299.5633 -161742.4555 -109246.5647 298.4185 84.1589 109.5355 760578.8148 14.0177 13.9973 PRESSURE: 4238600 -100.14 -125.693 -103.741 -125.694 -91.0174 -99.9119 -103.741 -99.9127 -361.22 GPRESSURE: 4238600 -24.1898 -44.3215 -77.8407 -175.341 -186.706 -73.6792 -56.0283 -89.1308 -266.321 PRESSAVG: 4238600 -6.18057 -1.93827 -50.6971 -1.93829 29.3923 45.6352 -50.6971 45.6352 -16.965 GPRESSAVG: 4238600 -6.53677 -2.91208 -55.1623 -1.27274 29.1864 43.9045 -47.1886 45.401 -15.813 TIMING: 4238600 CPU: 13401.6, 0.00318516/step Wall: 13401.6, 0.00318516/step, 0.673662 hours remaining, 235.722656 MB of memory in use. ENERGY: 4238600 4055.5136 20382.3051 14505.2614 240.9294 -203204.6224 2465.2765 0.0000 0.0000 52032.2435 -109523.0929 299.0300 -161555.3364 -109161.8291 298.6809 -184.1260 -159.0723 760638.5507 2.0822 2.2789 PRESSURE: 4238800 -298.421 -211.997 -247.521 -211.997 -305.785 109.916 -247.521 109.916 -161.601 GPRESSURE: 4238800 -220.02 -149.16 -216.869 -215.745 -295.09 60.2821 -166.874 78.0741 -163.759 PRESSAVG: 4238800 -33.1592 21.1197 -50.4144 21.1197 24.0163 17.2271 -50.4143 17.2272 -0.712222 GPRESSAVG: 4238800 -33.1687 21.7229 -48.8704 19.5517 23.7956 16.1064 -50.7821 16.9139 -0.681533 TIMING: 4238800 CPU: 13402.2, 0.00322104/step Wall: 13402.2, 0.00322104/step, 0.681071 hours remaining, 235.722656 MB of memory in use. ENERGY: 4238800 4005.8587 20583.2785 14492.9660 257.5890 -203034.1905 2098.4826 0.0000 0.0000 51928.5078 -109667.5079 298.4338 -161596.0157 -109301.7786 298.8148 -255.2691 -226.2897 760933.0214 -3.2850 -3.3515 PRESSURE: 4239000 470.255 33.1034 113.498 33.1026 51.6299 -10.1764 113.499 -10.1773 250.516 GPRESSURE: 4239000 413.406 5.49836 174.918 -87.9812 153.682 33.4273 93.2414 -15.7394 282.62 PRESSAVG: 4239000 20.7502 -36.7805 -60.9026 -36.7806 19.1803 -7.18269 -60.9025 -7.18272 3.22211 GPRESSAVG: 4239000 20.5447 -37.0456 -58.4655 -34.9212 20.8261 -7.18777 -62.1683 -7.28887 2.36769 TIMING: 4239000 CPU: 13402.9, 0.0032147/step Wall: 13402.9, 0.0032147/step, 0.679551 hours remaining, 235.722656 MB of memory in use. ENERGY: 4239000 4033.1936 20368.4790 14545.8564 261.7446 -203975.1300 2903.1834 0.0000 0.0000 52322.6103 -109540.0627 300.6988 -161862.6730 -109168.4804 299.0418 257.4667 283.2362 760179.0705 14.3842 14.5795 PRESSURE: 4239200 8.39536 53.1801 -41.0687 53.18 144.561 -27.6713 -41.0689 -27.6708 231.359 GPRESSURE: 4239200 143.928 39.9029 -109.501 26.8874 167.606 -4.28839 -58.7021 -51.432 172.091 PRESSAVG: 4239200 2.84044 -6.61626 -72.6658 -6.61628 3.89406 -20.0589 -72.6658 -20.0589 7.33507 GPRESSAVG: 4239200 4.13931 -4.71339 -73.4327 -7.65883 2.36031 -18.3818 -70.4394 -21.4136 7.6544 TIMING: 4239200 CPU: 13403.5, 0.00321048/step Wall: 13403.5, 0.00321048/step, 0.678481 hours remaining, 235.722656 MB of memory in use. ENERGY: 4239200 4048.7329 20603.9120 14522.2007 239.5728 -203262.9658 2483.4942 0.0000 0.0000 51888.6313 -109476.4219 298.2047 -161365.0532 -109115.4974 299.2365 128.1050 161.2080 760166.6060 4.6899 4.7180 PRESSURE: 4239400 -247.668 281.298 126.808 281.298 -98.9108 -64.4448 126.809 -64.4443 -409.788 GPRESSURE: 4239400 -164.035 148.627 179.457 90.5723 -121.311 -8.14553 226.523 -74.8038 -354.158 PRESSAVG: 4239400 5.88619 -37.1232 -23.3995 -37.1232 38.6606 4.67441 -23.3996 4.67441 -22.3658 GPRESSAVG: 4239400 4.20537 -37.2899 -24.5976 -36.828 39.8953 5.43114 -23.8578 7.09176 -22.1241 TIMING: 4239400 CPU: 13404.2, 0.00321636/step Wall: 13404.2, 0.00321636/step, 0.679545 hours remaining, 235.722656 MB of memory in use. ENERGY: 4239400 4114.9712 20568.5605 14437.1048 253.7551 -203127.7259 2314.1369 0.0000 0.0000 51984.3292 -109454.8682 298.7547 -161439.1974 -109102.9903 298.9229 -252.1221 -213.1681 760590.6305 7.3936 7.3255 PRESSURE: 4239600 -248.463 110.304 266.601 110.303 -5.227 -183.11 266.601 -183.11 -37.8575 GPRESSURE: 4239600 -236.631 88.491 178.973 -41.2265 58.1542 -42.6641 321.369 -61.6918 -44.7317 PRESSAVG: 4239600 -48.9536 13.7497 -1.14576 13.7497 69.4517 -6.92768 -1.14577 -6.92764 21.3765 GPRESSAVG: 4239600 -48.5266 13.2553 -1.69232 12.2051 67.9532 -8.73944 -1.84318 -7.54081 22.6443 TIMING: 4239600 CPU: 13404.8, 0.00319851/step Wall: 13404.8, 0.00319851/step, 0.675596 hours remaining, 235.722656 MB of memory in use. ENERGY: 4239600 4050.2722 20508.0827 14488.2459 256.7917 -203729.3052 2875.9931 0.0000 0.0000 51991.0275 -109558.8922 298.7931 -161549.9196 -109201.9358 298.9524 -97.1824 -74.4027 758776.0141 13.9582 14.0236 PRESSURE: 4239800 -459.672 -49.0201 11.5982 -49.0192 -327.42 113.941 11.5986 113.94 254.447 GPRESSURE: 4239800 -370.424 -3.5494 -37.8159 48.2825 -288.14 93.5347 -58.4921 133.712 212.363 PRESSAVG: 4239800 -58.9729 -25.383 -10.7872 -25.3831 9.17995 10.6763 -10.7872 10.6764 12.5652 GPRESSAVG: 4239800 -58.7477 -25.3915 -9.75176 -22.0925 10.6063 11.4788 -9.55447 10.5959 11.5982 TIMING: 4239800 CPU: 13405.4, 0.00319854/step Wall: 13405.4, 0.00319854/step, 0.675425 hours remaining, 235.722656 MB of memory in use. ENERGY: 4239800 3996.8926 20435.4502 14518.4293 238.4292 -203095.4286 2162.9171 0.0000 0.0000 52210.9314 -109532.3787 300.0569 -161743.3101 -109158.3298 298.7622 -177.5483 -148.7336 760237.7857 -12.4092 -12.1811 PRESSURE: 4240000 88.9272 135.32 46.7757 135.32 239.995 6.29151 46.7753 6.29271 222.369 GPRESSURE: 4240000 11.3924 164.081 38.2236 105.82 377.763 -56.4449 -1.0771 51.5664 250.023 PRESSAVG: 4240000 25.2164 27.6401 78.2069 27.6401 -13.0416 81.9545 78.2069 81.9544 -14.7301 GPRESSAVG: 4240000 24.995 26.8194 77.3333 24.7622 -12.1944 80.51 77.101 84.1679 -15.3673 TIMING: 4240000 CPU: 13406.1, 0.00321454/step Wall: 13406.1, 0.00321454/step, 0.678625 hours remaining, 235.722656 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: 4240000 3978.2545 20710.4953 14415.4930 252.4872 -203510.3938 2627.8192 0.0000 0.0000 51944.8348 -109581.0099 298.5277 -161525.8447 -109224.6773 298.8407 183.7635 213.0594 760154.7112 -0.8517 -0.8555 PRESSURE: 4240200 -14.7512 22.0513 58.3069 22.051 3.99325 68.599 58.3067 68.5992 -362.36 GPRESSURE: 4240200 63.5949 -40.6013 100.071 -34.8139 16.4768 168.683 53.0438 44.1524 -363.43 PRESSAVG: 4240200 -42.3103 -65.6544 33.9819 -65.6543 43.1758 -3.31396 33.9819 -3.31393 9.95718 GPRESSAVG: 4240200 -42.417 -66.6953 35.4283 -65.6392 44.2862 -1.2887 35.9526 -4.11948 9.62263 TIMING: 4240200 CPU: 13406.7, 0.00321075/step Wall: 13406.7, 0.00321075/step, 0.677647 hours remaining, 235.722656 MB of memory in use. ENERGY: 4240200 4064.3410 20672.3039 14477.7720 250.3865 -203158.7473 2270.0740 0.0000 0.0000 52062.9058 -109360.9641 299.2062 -161423.8699 -108999.7113 299.3725 -124.3727 -94.4527 761260.9089 3.6076 3.8306 LDB: ============= START OF LOAD BALANCING ============== 13419.3 LDB: ============== END OF LOAD BALANCING =============== 13419.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13419.3 LDB: ============= START OF LOAD BALANCING ============== 13419.6 LDB: Largest compute 7076 load 0.034522 is 17.6% of average load 0.195678 LDB: Average compute 0.004407 is 2.3% of average load 0.195678 LDB: TIME 13419.6 LOAD: AVG 0.195678 MAX 0.217333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.445 MB LDB: TIME 13419.6 LOAD: AVG 0.195678 MAX 0.217333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.652 MB LDB: TIME 13419.6 LOAD: AVG 0.195678 MAX 0.217333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.652 MB LDB: ============== END OF LOAD BALANCING =============== 13419.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13419.6 PRESSURE: 4240400 78.8976 -136.964 -235.367 -136.963 118.028 -38.2291 -235.368 -38.2285 231.051 GPRESSURE: 4240400 89.4924 -86.0272 -249.634 -72.7085 142.956 -43.5323 -234.992 -147.031 292.424 PRESSAVG: 4240400 33.3054 -17.782 9.1934 -17.7819 28.0835 34.878 9.19337 34.8781 0.967503 GPRESSAVG: 4240400 34.4559 -17.9471 10.283 -16.6726 26.5864 35.4655 5.94889 32.6666 2.00535 TIMING: 4240400 CPU: 13407.4, 0.00328211/step Wall: 13407.4, 0.00328211/step, 0.692525 hours remaining, 235.652344 MB of memory in use. ENERGY: 4240400 4026.5326 20649.7559 14520.6756 245.8103 -203465.1663 2533.0481 0.0000 0.0000 52061.6174 -109427.7263 299.1988 -161489.3437 -109053.2339 299.9099 142.6588 174.9574 759897.2870 20.7855 21.0159 PRESSURE: 4240600 -111.288 60.9464 -258.173 60.9464 -218.924 -120.176 -258.173 -120.176 -67.9986 GPRESSURE: 4240600 -48.2449 156.805 -320.853 47.8376 -245.852 -43.2976 -214.786 -180.039 -2.88324 PRESSAVG: 4240600 -23.5011 -10.9504 23.8544 -10.9504 2.07788 40.117 23.8543 40.1169 -3.79417 GPRESSAVG: 4240600 -22.0236 -8.64382 19.6818 -12.1988 1.50526 39.7603 26.0424 41.0144 -3.52942 TIMING: 4240600 CPU: 13408, 0.00321211/step Wall: 13408, 0.00321211/step, 0.677576 hours remaining, 235.894531 MB of memory in use. ENERGY: 4240600 4029.0057 20653.6280 14533.0107 238.3998 -203232.2259 2379.0313 0.0000 0.0000 51911.2253 -109487.9251 298.3345 -161399.1504 -109124.0034 299.1239 -132.7367 -98.9934 759953.3614 -8.4058 -8.0159 PRESSURE: 4240800 -278.671 -37.5933 -130.125 -37.5929 -113.458 144.019 -130.125 144.018 -31.3294 GPRESSURE: 4240800 -103.666 -46.8082 -126.293 73.4776 -154.097 174.702 -205.182 256.161 -69.4875 PRESSAVG: 4240800 17.6456 -19.8709 -14.6912 -19.8709 2.04403 44.552 -14.6912 44.552 -5.9188 GPRESSAVG: 4240800 16.6409 -20.4691 -12.233 -20.0023 3.17307 43.366 -15.0795 43.8813 -6.44848 TIMING: 4240800 CPU: 13408.7, 0.00321766/step Wall: 13408.7, 0.00321766/step, 0.678568 hours remaining, 235.894531 MB of memory in use. ENERGY: 4240800 3989.1158 20409.0436 14504.3218 245.5969 -203441.2635 2354.6441 0.0000 0.0000 52110.5013 -109828.0400 299.4798 -161938.5414 -109458.5083 298.8708 -141.1531 -109.0837 757757.8455 4.5903 4.4552 PRESSURE: 4241000 -252.076 54.5345 213.334 54.5343 30.8572 -54.2589 213.334 -54.26 -429.828 GPRESSURE: 4241000 -158.814 180.828 142.538 -70.1566 4.21831 -18.3946 211.11 2.25601 -396.159 PRESSAVG: 4241000 -50.3619 -8.39173 12.6854 -8.39172 -10.9037 48.9705 12.6855 48.9705 5.82521 GPRESSAVG: 4241000 -50.6603 -7.36335 11.3184 -11.506 -10.9599 49.4801 11.7393 49.1205 5.94332 TIMING: 4241000 CPU: 13409.3, 0.00319699/step Wall: 13409.3, 0.00319699/step, 0.674031 hours remaining, 235.894531 MB of memory in use. ENERGY: 4241000 4044.2411 20597.9532 14428.3881 224.7368 -203679.4953 2630.0836 0.0000 0.0000 51887.4752 -109866.6174 298.1980 -161754.0926 -109510.6739 298.7181 -217.0156 -183.5849 758794.5637 -18.4801 -18.5590 PRESSURE: 4241200 -227.643 -35.9484 -72.1418 -35.9477 -96.0934 -173.835 -72.142 -173.835 45.4709 GPRESSURE: 4241200 -139.903 77.6393 1.75339 32.8985 -126.005 -153.874 22.3681 -185.141 71.893 PRESSAVG: 4241200 -39.6207 4.18235 27.2135 4.18232 41.9095 -41.288 27.2135 -41.288 2.78515 GPRESSAVG: 4241200 -39.9615 1.75791 28.298 9.6544 42.5022 -41.7352 27.7852 -41.7167 2.45622 TIMING: 4241200 CPU: 13410, 0.00322344/step Wall: 13410, 0.00322344/step, 0.67943 hours remaining, 236.097656 MB of memory in use. ENERGY: 4241200 4006.5839 20463.4282 14510.7449 255.7782 -203241.1518 2455.7544 0.0000 0.0000 51625.1917 -109923.6705 296.6907 -161548.8623 -109567.2025 298.3220 -92.7550 -64.6718 758672.3305 1.6913 1.6656 PRESSURE: 4241400 -33.2641 -93.0398 -121.612 -93.041 241.824 -27.2103 -121.613 -27.2102 46.7227 GPRESSURE: 4241400 -16.6411 -83.8024 -99.4321 -12.5374 258.863 -11.5782 -130.29 118.467 113.668 PRESSAVG: 4241400 -80.1129 -30.7273 -51.1837 -30.7273 99.8803 22.6704 -51.1837 22.6704 16.5222 GPRESSAVG: 4241400 -79.6731 -29.4244 -50.1267 -31.616 100.247 22.6643 -50.6841 22.8317 16.212 TIMING: 4241400 CPU: 13410.6, 0.00318804/step Wall: 13410.6, 0.00318804/step, 0.67179 hours remaining, 236.097656 MB of memory in use. ENERGY: 4241400 4096.0343 20567.0153 14471.2132 243.3536 -203594.8047 2549.9838 0.0000 0.0000 51813.8542 -109853.3505 297.7749 -161667.2046 -109503.6040 298.6332 85.0943 118.6298 759662.2106 12.0965 12.2621 PRESSURE: 4241600 -95.7068 -64.3068 62.5761 -64.3077 -213.3 -35.1714 62.5762 -35.1724 -229.41 GPRESSURE: 4241600 -181.603 -55.1989 30.6602 -27.6929 -184.129 -78.5153 -33.544 -142.726 -100.149 PRESSAVG: 4241600 -8.88747 -51.4873 16.5976 -51.4873 4.43233 5.73346 16.5976 5.73351 14.7175 GPRESSAVG: 4241600 -10.1715 -51.7858 16.456 -53.0219 3.78325 5.65583 16.9611 5.33522 15.661 TIMING: 4241600 CPU: 13411.2, 0.00319035/step Wall: 13411.2, 0.00319035/step, 0.6721 hours remaining, 236.097656 MB of memory in use. ENERGY: 4241600 4011.7450 20504.1217 14519.2378 248.2230 -203282.2216 2337.1407 0.0000 0.0000 51892.6782 -109769.0752 298.2279 -161661.7534 -109398.3033 298.6322 -179.4720 -155.2938 759009.5826 3.4208 3.0909 PRESSURE: 4241800 -89.3547 -88.8303 60.2513 -88.8298 89.5746 -45.5769 60.2509 -45.5774 349.523 GPRESSURE: 4241800 -151.659 -148.052 82.5728 -39.5463 230.751 -19.7737 181.532 -45.51 340.351 PRESSAVG: 4241800 9.99787 -35.6464 -2.86918 -35.6464 -8.60042 38.3046 -2.86913 38.3046 -24.0318 GPRESSAVG: 4241800 11.646 -36.3311 -1.84759 -34.7819 -8.87453 36.8437 -3.23744 41.5839 -25.2802 TIMING: 4241800 CPU: 13411.9, 0.00321505/step Wall: 13411.9, 0.00321505/step, 0.677126 hours remaining, 236.097656 MB of memory in use. ENERGY: 4241800 3930.9687 20508.1641 14416.5145 249.5947 -203258.5459 2402.7971 0.0000 0.0000 51949.9675 -109800.5394 298.5572 -161750.5069 -109451.9949 298.9041 116.5808 139.8145 759194.8394 -7.5448 -7.5029 PRESSURE: 4242000 21.8074 -21.5621 65.5616 -21.5629 130.167 37.9712 65.5618 37.9699 -274.353 GPRESSURE: 4242000 78.1808 -8.23867 32.758 39.3355 93.5095 55.5979 -42.4849 -73.0937 -191.054 PRESSAVG: 4242000 -1.20744 8.80571 -10.8942 8.80569 70.1922 34.574 -10.8943 34.574 -4.26307 GPRESSAVG: 4242000 -1.97347 8.38461 -12.8516 10.9306 69.7404 36.7057 -11.5954 32.6252 -3.4672 TIMING: 4242000 CPU: 13412.5, 0.00321052/step Wall: 13412.5, 0.00321052/step, 0.675993 hours remaining, 236.097656 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: 4242000 3980.0607 20499.8880 14469.9384 249.6238 -203497.9820 2546.5400 0.0000 0.0000 51819.6616 -109932.2694 297.8083 -161751.9310 -109578.4797 298.6402 -40.7928 -6.4546 759292.9652 21.5739 21.4333 PRESSURE: 4242200 -16.5423 206.327 30.0855 206.328 -186.651 60.504 30.0867 60.5047 -323.084 GPRESSURE: 4242200 3.08216 153.614 -14.7913 111.132 -169.489 60.4043 51.4425 12.3967 -266.301 PRESSAVG: 4242200 -59.3086 -9.85021 -1.43069 -9.85026 48.222 -4.06362 -1.43083 -4.06364 16.9106 GPRESSAVG: 4242200 -59.1956 -8.74001 0.466962 -12.5722 48.3269 -5.14882 -2.26721 -5.19075 17.1414 TIMING: 4242200 CPU: 13413.2, 0.00320315/step Wall: 13413.2, 0.00320315/step, 0.674262 hours remaining, 236.097656 MB of memory in use. ENERGY: 4242200 4006.3866 20350.8489 14387.6884 262.8348 -203307.6049 2353.2405 0.0000 0.0000 52078.4428 -109868.1630 299.2955 -161946.6058 -109499.2624 298.3732 -175.4260 -144.2358 759736.6459 1.9413 2.0909 PRESSURE: 4242400 158.745 82.1354 -258.667 82.135 -34.153 87.9563 -258.666 87.9558 -1.84608 GPRESSURE: 4242400 149.877 88.1827 -279.541 54.8933 -24.3067 31.6984 -159.397 19.5235 79.1394 PRESSAVG: 4242400 -18.212 -37.735 2.9438 -37.735 28.9664 -26.7068 2.94384 -26.7067 -3.40094 GPRESSAVG: 4242400 -18.2161 -38.2449 1.50186 -39.3546 29.9554 -24.926 4.08527 -26.6537 -4.22373 TIMING: 4242400 CPU: 13413.8, 0.00321617/step Wall: 13413.8, 0.00321617/step, 0.676825 hours remaining, 236.097656 MB of memory in use. ENERGY: 4242400 4000.6578 20271.7544 14505.0727 269.4865 -203381.8712 2614.8969 0.0000 0.0000 51752.0930 -109967.9100 297.4200 -161720.0030 -109601.8639 298.5115 40.9153 68.2365 760558.8394 2.4511 2.5052 PRESSURE: 4242600 18.6378 73.0601 -246.894 73.0601 362.258 -167.26 -246.894 -167.261 70.4843 GPRESSURE: 4242600 111.817 -6.49188 -336.59 55.0319 310.863 -76.4579 -160.908 -273.819 109.127 PRESSAVG: 4242600 -29.864 9.60127 -24.3548 9.60126 5.4773 18.4154 -24.3547 18.4154 5.40655 GPRESSAVG: 4242600 -29.3043 10.1561 -23.9055 11.1187 4.80651 16.652 -24.4421 19.1729 4.9039 TIMING: 4242600 CPU: 13414.4, 0.00323261/step Wall: 13414.4, 0.00323261/step, 0.680105 hours remaining, 236.097656 MB of memory in use. ENERGY: 4242600 3959.1946 20295.9642 14487.4353 235.5374 -203358.2042 2617.2944 0.0000 0.0000 51649.7026 -110113.0757 296.8316 -161762.7783 -109751.4834 297.7121 150.4602 177.2689 761871.3517 -6.3267 -6.5313 PRESSURE: 4242800 10.5584 -335.982 117.073 -335.982 -45.6118 -91.8088 117.073 -91.8087 157.643 GPRESSURE: 4242800 52.8756 -262.761 152.625 -228.807 42.8178 -92.0918 65.6294 87.2341 98.1971 PRESSAVG: 4242800 -30.828 -16.4538 -31.1983 -16.4538 29.4716 -44.0774 -31.1982 -44.0775 -3.55054 GPRESSAVG: 4242800 -33.0746 -15.2007 -32.2183 -16.4348 31.0506 -43.0108 -30.1907 -43.6893 -3.206 TIMING: 4242800 CPU: 13415.1, 0.00324455/step Wall: 13415.1, 0.00324455/step, 0.682437 hours remaining, 236.097656 MB of memory in use. ENERGY: 4242800 4018.7253 20342.4210 14417.2652 243.0778 -203396.1038 2391.8245 0.0000 0.0000 51691.0771 -110291.7128 297.0693 -161982.7899 -109936.5834 297.7201 40.8632 64.6302 759908.6521 -1.6356 -1.7433 PRESSURE: 4243000 -52.9239 104.593 3.92295 104.593 95.5891 -102.518 3.92261 -102.519 86.191 GPRESSURE: 4243000 -50.8275 149.467 -5.06081 -57.4175 160.574 -66.5798 -0.746657 -159.827 122.902 PRESSAVG: 4243000 -45.7472 34.536 -8.43315 34.536 21.358 8.29792 -8.43311 8.29795 -24.0446 GPRESSAVG: 4243000 -44.8448 33.8699 -6.80883 34.1828 21.0077 6.62863 -10.6152 7.96811 -24.0688 TIMING: 4243000 CPU: 13415.7, 0.00323041/step Wall: 13415.7, 0.00323041/step, 0.679283 hours remaining, 236.097656 MB of memory in use. ENERGY: 4243000 4009.3358 20355.1181 14449.7574 236.7754 -203666.2191 2761.2778 0.0000 0.0000 51849.0004 -110004.9541 297.9769 -161853.9545 -109656.6723 297.5398 42.9521 77.5494 760394.1403 -16.1446 -15.9686 PRESSURE: 4243200 159.473 3.62348 9.05574 3.6228 16.7742 123.224 9.05682 123.224 -286.246 GPRESSURE: 4243200 245.855 36.2662 -46.5207 20.6049 111.346 127.646 -102.831 40.6193 -347.578 PRESSAVG: 4243200 -23.0117 -13.7072 -0.731112 -13.7072 29.2545 8.62856 -0.731054 8.62845 -8.59048 GPRESSAVG: 4243200 -21.1936 -14.7009 -1.99396 -11.733 29.098 8.49373 -1.31159 9.47523 -10.3119 TIMING: 4243200 CPU: 13416.4, 0.00321695/step Wall: 13416.4, 0.00321695/step, 0.676274 hours remaining, 236.097656 MB of memory in use. ENERGY: 4243200 3972.5224 20426.7195 14454.1013 255.9974 -203629.2521 2714.3217 0.0000 0.0000 51718.1277 -110087.4620 297.2248 -161805.5897 -109729.0981 297.9381 -36.6662 3.2077 760877.7514 -0.7826 -0.8025 PRESSURE: 4243400 150.619 -66.0037 -189.874 -66.0033 -74.0158 -178.095 -189.874 -178.095 -57.3127 GPRESSURE: 4243400 189.995 3.80728 -101.239 -179.954 -49.537 -103.266 -154.238 -180.43 -40.8032 PRESSAVG: 4243400 7.59316 9.46533 5.67332 9.46536 16.6305 -31.3074 5.67331 -31.3074 7.95313 GPRESSAVG: 4243400 6.38514 12.0648 6.79515 7.21033 16.0917 -29.531 6.78623 -31.0808 8.80244 TIMING: 4243400 CPU: 13417, 0.0032201/step Wall: 13417, 0.0032201/step, 0.676757 hours remaining, 236.097656 MB of memory in use. ENERGY: 4243400 4029.9855 20582.3229 14474.2336 243.9497 -203222.7986 2220.4446 0.0000 0.0000 51754.0914 -109917.7708 297.4315 -161671.8622 -109562.2343 298.3665 6.4301 33.2183 759333.6608 10.7256 10.4264 PRESSURE: 4243600 -9.40074 -9.23117 29.4364 -9.23254 -19.7787 -32.7733 29.436 -32.7726 86.8594 GPRESSURE: 4243600 -23.3624 -16.3041 75.7274 -74.034 4.41992 -112.788 25.4613 -42.6415 164.743 PRESSAVG: 4243600 -4.62831 -33.4134 -18.4308 -33.4134 -20.2304 0.846719 -18.4309 0.846697 -30.5786 GPRESSAVG: 4243600 -5.24763 -35.2781 -18.3132 -33.4916 -20.3843 0.214637 -17.7045 0.397392 -29.8384 TIMING: 4243600 CPU: 13417.7, 0.00319743/step Wall: 13417.7, 0.00319743/step, 0.671815 hours remaining, 236.097656 MB of memory in use. ENERGY: 4243600 4033.2020 20441.7747 14448.7942 261.0076 -203158.0991 2281.0152 0.0000 0.0000 51974.5341 -109717.7713 298.6984 -161692.3054 -109346.9455 298.7695 19.2267 48.6003 760269.5340 -18.4791 -18.4901 PRESSURE: 4243800 -301.042 33.6964 37.3102 33.6957 138.735 -220.867 37.3099 -220.867 242.156 GPRESSURE: 4243800 -291.318 5.86045 88.1689 25.9158 213.908 -175.12 36.7377 -141.777 247.868 PRESSAVG: 4243800 -33.778 -13.3452 -13.236 -13.3452 38.986 -12.253 -13.236 -12.253 23.8344 GPRESSAVG: 4243800 -33.4016 -13.6135 -11.4496 -14.7749 39.5115 -11.8775 -13.4892 -13.5693 23.3099 TIMING: 4243800 CPU: 13418.3, 0.0032241/step Wall: 13418.3, 0.0032241/step, 0.67724 hours remaining, 236.097656 MB of memory in use. ENERGY: 4243800 4000.4872 20416.5478 14453.6114 251.0561 -202983.8634 2213.7801 0.0000 0.0000 51894.7563 -109753.6244 298.2399 -161648.3807 -109395.1106 298.5502 26.6163 56.8193 760638.9301 9.6808 9.8066 PRESSURE: 4244000 444.265 -61.659 -126.16 -61.6585 899.044 -146.313 -126.159 -146.313 200.102 GPRESSURE: 4244000 574.477 -94.4057 -178.944 -51.7833 842.136 -165.511 -213.9 -46.876 212.676 PRESSAVG: 4244000 -48.5886 -16.7664 -29.1083 -16.7665 29.4316 -6.39038 -29.1082 -6.39039 3.90015 GPRESSAVG: 4244000 -48.7681 -14.573 -30.8452 -15.2183 29.2238 -6.04208 -29.9317 -5.01599 4.30536 TIMING: 4244000 CPU: 13418.9, 0.00319724/step Wall: 13418.9, 0.00319724/step, 0.67142 hours remaining, 236.097656 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: 4244000 3927.6177 20328.9365 14405.3908 244.1668 -203762.8687 3049.5649 0.0000 0.0000 52008.9259 -109798.2662 298.8960 -161807.1921 -109436.0695 298.3673 514.4703 543.0964 758059.9374 -5.0856 -5.0796 PRESSURE: 4244200 -99.6622 113.078 3.10675 113.078 84.1982 -59.1558 3.10703 -59.1562 -28.1391 GPRESSURE: 4244200 -17.866 80.7971 -25.3048 55.5241 134.861 28.0402 66.4186 -2.34472 -50.3496 PRESSAVG: 4244200 -12.0451 -22.601 21.3989 -22.6011 15.4052 -39.0211 21.3989 -39.0212 13.0735 GPRESSAVG: 4244200 -11.8456 -24.6799 19.7819 -22.5662 15.2872 -38.5531 23.2116 -39.8053 12.3584 TIMING: 4244200 CPU: 13419.6, 0.00324498/step Wall: 13419.6, 0.00324498/step, 0.681265 hours remaining, 236.097656 MB of memory in use. ENERGY: 4244200 3937.7421 20343.0834 14454.6818 242.4419 -203353.2016 2433.1566 0.0000 0.0000 52044.2549 -109897.8409 299.0990 -161942.0958 -109541.3225 298.5784 -14.5344 22.2152 759280.6242 5.4778 5.2667 LDB: ============= START OF LOAD BALANCING ============== 13432.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13432.1 LDB: =============== DONE WITH MIGRATION ================ 13432.1 LDB: ============= START OF LOAD BALANCING ============== 13432.5 LDB: Largest compute 7057 load 0.035290 is 18.0% of average load 0.195685 LDB: Average compute 0.004376 is 2.2% of average load 0.195685 LDB: TIME 13432.5 LOAD: AVG 0.195685 MAX 0.216497 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 13432.5 LOAD: AVG 0.195685 MAX 0.216497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: TIME 13432.5 LOAD: AVG 0.195685 MAX 0.216497 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.227 MB LDB: ============== END OF LOAD BALANCING =============== 13432.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13432.5 PRESSURE: 4244400 -215.153 4.24293 20.9016 4.24301 95.1281 -80.171 20.9016 -80.1702 -200.362 GPRESSURE: 4244400 -86.3374 23.54 57.3322 66.0214 68.2725 -83.1306 93.1439 -48.9107 -215.912 PRESSAVG: 4244400 -41.9111 -36.0678 78.2492 -36.0678 49.7934 -34.0353 78.2492 -34.0352 -8.48171 GPRESSAVG: 4244400 -42.1493 -34.8378 80.3307 -35.1494 49.5769 -33.8008 76.5921 -34.3756 -7.75738 TIMING: 4244400 CPU: 13420.3, 0.00329326/step Wall: 13420.3, 0.00329326/step, 0.691219 hours remaining, 235.652344 MB of memory in use. ENERGY: 4244400 3979.5422 20440.3384 14385.8582 260.1290 -203214.7560 2559.5708 0.0000 0.0000 51974.7398 -109614.5775 298.6995 -161589.3173 -109246.7039 298.8334 -106.7958 -77.9924 760981.5173 -0.1998 -0.1099 PRESSURE: 4244600 -192.241 -270.264 22.6516 -270.264 170.405 53.9002 22.6506 53.8983 113.705 GPRESSURE: 4244600 -118.479 -87.6453 -14.8463 -262.484 219.017 47.3643 -20.8161 46.8274 66.0174 PRESSAVG: 4244600 -48.5234 -69.805 33.1822 -69.8049 6.54386 -33.2399 33.1822 -33.2399 5.56594 GPRESSAVG: 4244600 -49.48 -68.8295 33.0609 -69.8705 6.85255 -33.9813 33.7326 -33.0924 5.82317 TIMING: 4244600 CPU: 13420.9, 0.00322771/step Wall: 13420.9, 0.00322771/step, 0.67728 hours remaining, 235.652344 MB of memory in use. ENERGY: 4244600 4067.4125 20409.2557 14495.0649 249.5412 -203695.5192 2702.1276 0.0000 0.0000 52107.6574 -109664.4599 299.4634 -161772.1172 -109299.7019 299.2499 30.6229 55.5184 759453.3601 -12.1379 -12.2681 PRESSURE: 4244800 5.64438 -203.1 203.535 -203.099 -127.884 218.758 203.535 218.759 -246.26 GPRESSURE: 4244800 33.8023 -147.773 184.759 -133.551 -159.774 305.449 207.136 208.025 -142.84 PRESSAVG: 4244800 -38.9858 -24.8364 2.02629 -24.8364 75.1412 -5.07551 2.02629 -5.07556 -1.08111 GPRESSAVG: 4244800 -38.5511 -24.904 1.01835 -25.0975 74.5055 -5.28801 3.11863 -2.8367 -1.03532 TIMING: 4244800 CPU: 13421.5, 0.00321722/step Wall: 13421.5, 0.00321722/step, 0.674901 hours remaining, 236.097656 MB of memory in use. ENERGY: 4244800 3987.5703 20453.6654 14503.8717 269.4489 -203490.4170 2404.0790 0.0000 0.0000 52263.3139 -109608.4676 300.3580 -161871.7816 -109253.5129 299.9943 -122.8331 -89.6040 760299.8917 11.6914 11.6397 PRESSURE: 4245000 -60.7201 -60.3512 -154.628 -60.3507 -331.483 -120.034 -154.627 -120.034 -345.012 GPRESSURE: 4245000 -54.7858 -12.8542 -164.808 -15.8103 -278.703 -183.346 -195.843 -104.5 -301.784 PRESSAVG: 4245000 37.5361 -33.615 36.9752 -33.615 -37.3557 -17.4013 36.9752 -17.4013 -11.5328 GPRESSAVG: 4245000 37.2979 -32.5163 36.3278 -34.0244 -37.3674 -18.5789 35.4062 -17.8612 -11.9502 TIMING: 4245000 CPU: 13422.2, 0.00322639/step Wall: 13422.2, 0.00322639/step, 0.676645 hours remaining, 236.097656 MB of memory in use. ENERGY: 4245000 4087.5551 20459.0132 14438.8796 261.5409 -203767.9581 2441.3149 0.0000 0.0000 52294.8291 -109784.8253 300.5391 -162079.6544 -109418.6490 299.5240 -245.7384 -211.7575 760058.8547 -3.7842 -4.0066 PRESSURE: 4245200 64.0628 -93.5876 -151.009 -93.5868 76.2724 203.126 -151.009 203.128 -144.962 GPRESSURE: 4245200 39.7136 -232.499 -166.361 -37.3463 149.838 137.947 -157.667 181.853 -116.793 PRESSAVG: 4245200 -0.0889792 25.5846 -18.3764 25.5845 52.5784 7.27314 -18.3764 7.27321 -10.4539 GPRESSAVG: 4245200 -1.21925 22.1524 -18.327 26.1965 52.9287 8.17223 -19.1902 6.32784 -9.9082 TIMING: 4245200 CPU: 13422.8, 0.00320147/step Wall: 13422.8, 0.00320147/step, 0.671242 hours remaining, 236.097656 MB of memory in use. ENERGY: 4245200 3996.7445 20621.6322 14440.2422 272.1180 -203406.2912 2301.5487 0.0000 0.0000 51865.1225 -109908.8831 298.0696 -161774.0056 -109547.9942 299.0625 -1.5422 24.2529 760037.9961 14.0118 13.9338 PRESSURE: 4245400 301.247 -86.8407 34.4486 -86.8411 -10.7415 44.2426 34.4488 44.2422 99.3363 GPRESSURE: 4245400 342.505 -35.9144 16.3193 -92.5996 -19.0906 9.01418 129.639 32.5289 138.729 PRESSAVG: 4245400 -25.6927 15.3415 -56.0964 15.3416 53.9244 47.799 -56.0964 47.7989 8.43779 GPRESSAVG: 4245400 -24.649 15.6404 -55.7158 13.8394 54.6363 46.5755 -55.855 48.1356 7.33334 TIMING: 4245400 CPU: 13423.5, 0.00320489/step Wall: 13423.5, 0.00320489/step, 0.671781 hours remaining, 236.097656 MB of memory in use. ENERGY: 4245400 3960.8962 20561.7969 14480.4393 231.9254 -203613.2036 2589.7216 0.0000 0.0000 51858.7970 -109929.6272 298.0332 -161788.4242 -109575.2154 298.9628 129.9473 154.0477 759239.2033 12.2231 12.4402 PRESSURE: 4245600 -180.774 59.4779 31.494 59.4783 -199.336 -145.988 31.4931 -145.988 136.24 GPRESSURE: 4245600 -151.034 175.994 -15.4944 44.1753 -124.811 -107.003 1.56327 -123.023 108.936 PRESSAVG: 4245600 -15.8342 49.7296 -6.57196 49.7295 0.41707 -18.8671 -6.57193 -18.8671 24.9127 GPRESSAVG: 4245600 -15.6666 52.9058 -6.91941 47.9531 0.739465 -17.4919 -7.31482 -19.5518 24.9377 TIMING: 4245600 CPU: 13424.1, 0.0032117/step Wall: 13424.1, 0.00321171/step, 0.673031 hours remaining, 236.097656 MB of memory in use. ENERGY: 4245600 3956.5673 20554.7535 14461.5507 240.5652 -203348.2358 2449.1102 0.0000 0.0000 51862.4034 -109823.2855 298.0539 -161685.6889 -109458.3262 298.6584 -81.2899 -55.6363 760371.3217 3.1652 3.3369 PRESSURE: 4245800 -80.8898 -241.302 -5.54983 -241.302 -138.899 207.927 -5.5496 207.928 224.627 GPRESSURE: 4245800 -98.5212 -221.54 47.3636 -192.236 -35.2125 196.312 36.2356 215.983 217.814 PRESSAVG: 4245800 -48.4738 33.5999 31.0657 33.5999 53.8203 -7.03176 31.0657 -7.0318 -19.2444 GPRESSAVG: 4245800 -49.636 32.9965 31.975 33.562 54.515 -7.93925 30.3797 -6.37546 -19.3067 TIMING: 4245800 CPU: 13424.8, 0.00320784/step Wall: 13424.8, 0.00320784/step, 0.672043 hours remaining, 236.097656 MB of memory in use. ENERGY: 4245800 4036.2887 20478.5162 14436.7870 234.2514 -203518.4489 2565.2918 0.0000 0.0000 52034.8626 -109732.4511 299.0451 -161767.3138 -109373.1552 298.6956 1.6127 28.0269 759700.9051 -4.6327 -4.8092 PRESSURE: 4246000 -333.343 35.3857 -61.2668 35.3857 238.802 -271.214 -61.2666 -271.213 47.2478 GPRESSURE: 4246000 -354.436 19.2928 -7.51108 19.5712 275.713 -206.561 11.0514 -216.282 121.471 PRESSAVG: 4246000 -47.5153 21.7282 -10.2305 21.7282 89.3879 -40.6388 -10.2305 -40.6389 -3.90098 GPRESSAVG: 4246000 -46.9833 22.1943 -10.1538 24.3481 88.2529 -41.4361 -10.1673 -39.9387 -3.77686 TIMING: 4246000 CPU: 13425.4, 0.00321229/step Wall: 13425.4, 0.00321229/step, 0.672797 hours remaining, 236.097656 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: 4246000 3977.5973 20313.5799 14489.8556 238.3367 -203396.4565 2388.2918 0.0000 0.0000 52116.3416 -109872.4536 299.5133 -161988.7952 -109512.5465 298.3826 -15.7644 14.2493 759763.9593 12.6572 12.4976 PRESSURE: 4246200 -93.2334 5.75659 -33.5829 5.75677 214.394 174.613 -33.5825 174.614 500.559 GPRESSURE: 4246200 13.1314 -40.4845 -14.766 -42.418 266.16 107.087 -85.295 179.82 454.042 PRESSAVG: 4246200 -44.8802 -29.6114 10.6576 -29.6114 13.5485 -3.31947 10.6576 -3.31948 -10.5585 GPRESSAVG: 4246200 -44.6928 -33.29 11.531 -29.5802 13.6781 -2.79243 11.4761 -4.61585 -10.4515 TIMING: 4246200 CPU: 13426, 0.00320051/step Wall: 13426, 0.00320051/step, 0.670151 hours remaining, 236.097656 MB of memory in use. ENERGY: 4246200 4001.4467 20339.6994 14554.0540 256.5380 -203650.7190 2691.4890 0.0000 0.0000 52035.5948 -109771.8971 299.0493 -161807.4919 -109410.3867 298.7995 207.2397 244.4445 758785.9038 -13.9634 -13.8220 PRESSURE: 4246400 -342.28 90.7242 -30.7665 90.7242 -242.419 96.6745 -30.7669 96.6747 -110.881 GPRESSURE: 4246400 -283.248 142.014 -56.6291 56.9006 -192.601 6.83252 31.8152 77.8963 -148.022 PRESSAVG: 4246400 -44.2656 9.76218 -13.6932 9.76217 68.273 -36.6763 -13.6933 -36.6762 -5.56933 GPRESSAVG: 4246400 -44.1862 11.0803 -14.7027 9.28136 68.7968 -35.5678 -11.6076 -36.8853 -6.4995 TIMING: 4246400 CPU: 13426.7, 0.00316939/step Wall: 13426.7, 0.00316939/step, 0.66346 hours remaining, 236.097656 MB of memory in use. ENERGY: 4246400 4053.1946 20551.7753 14477.4326 238.9680 -203043.7335 2342.2268 0.0000 0.0000 51965.9724 -109414.1637 298.6492 -161380.1361 -109057.9966 298.8560 -231.8602 -207.9572 758958.3406 6.1460 6.0370 PRESSURE: 4246600 -111.086 -44.1034 -170.766 -44.1036 182.475 46.2408 -170.766 46.2406 60.2029 GPRESSURE: 4246600 -100.868 24.1907 -305.099 -139.403 271.929 42.8726 -163.89 -50.2055 44.7859 PRESSAVG: 4246600 -82.2721 14.9629 46.3627 14.9629 126.811 -26.7842 46.3627 -26.7842 24.8091 GPRESSAVG: 4246600 -83.4396 14.3548 44.4561 13.9175 126.165 -27.2724 43.5096 -26.5382 26.3595 TIMING: 4246600 CPU: 13427.3, 0.00318485/step Wall: 13427.3, 0.00318485/step, 0.666517 hours remaining, 236.097656 MB of memory in use. ENERGY: 4246600 4007.7119 20462.6866 14586.6801 239.5879 -203471.8389 2752.2338 0.0000 0.0000 52037.7558 -109385.1827 299.0617 -161422.9385 -109018.2172 299.9750 43.8643 71.9487 758856.9863 23.1160 23.0283 PRESSURE: 4246800 -278.524 319.033 -29.0789 319.033 -46.7163 111.765 -29.0786 111.766 -220.979 GPRESSURE: 4246800 -268.536 277.398 -89.0128 244.54 33.6659 -43.6757 -42.4781 63.706 -226.068 PRESSAVG: 4246800 -74.1284 23.6073 -15.0693 23.6073 71.4802 0.247868 -15.0693 0.247915 -1.20717 GPRESSAVG: 4246800 -74.2752 23.6853 -12.9985 23.1045 72.2813 0.321625 -15.5263 -0.0891577 -1.5588 TIMING: 4246800 CPU: 13427.9, 0.00316756/step Wall: 13427.9, 0.00316756/step, 0.662724 hours remaining, 236.097656 MB of memory in use. ENERGY: 4246800 4021.2583 20570.4204 14527.4685 246.7766 -203555.4698 2517.2655 0.0000 0.0000 52077.1784 -109595.1023 299.2883 -161672.2807 -109241.4102 299.3818 -182.0733 -153.6462 758483.0772 -1.2851 -1.1842 PRESSURE: 4247000 120.619 -128.52 341.331 -128.52 461.38 -96.2365 341.332 -96.2374 431.121 GPRESSURE: 4247000 118.652 -17.8594 329.887 41.196 581.451 -104.301 210.926 -28.1503 393.522 PRESSAVG: 4247000 -76.6642 15.6676 32.786 15.6676 49.1961 -34.2235 32.786 -34.2235 13.6636 GPRESSAVG: 4247000 -75.7927 16.1738 29.7461 16.9817 48.3741 -34.7726 34.9875 -31.7934 13.711 TIMING: 4247000 CPU: 13428.6, 0.00319738/step Wall: 13428.6, 0.00319738/step, 0.668786 hours remaining, 236.097656 MB of memory in use. ENERGY: 4247000 3940.3668 20498.8201 14498.8683 249.4052 -203412.7723 2545.2282 0.0000 0.0000 52040.5882 -109639.4954 299.0780 -161680.0836 -109278.3341 299.4086 337.7069 364.5416 757083.9283 -4.6015 -4.5692 PRESSURE: 4247200 -140.401 26.7399 33.6157 26.739 -63.6362 172.831 33.6151 172.831 -170.359 GPRESSURE: 4247200 -172.94 18.9085 12.7745 13.4699 -31.5532 102.407 15.0452 85.9763 -73.6107 PRESSAVG: 4247200 -37.0773 -15.4176 54.3753 -15.4176 74.0385 13.7189 54.3753 13.719 -0.210267 GPRESSAVG: 4247200 -36.6218 -15.933 56.8956 -16.9396 74.4565 15.7359 55.5524 10.4079 -0.656288 TIMING: 4247200 CPU: 13429.2, 0.00317993/step Wall: 13429.2, 0.00317993/step, 0.664958 hours remaining, 236.097656 MB of memory in use. ENERGY: 4247200 4044.1179 20502.8696 14509.0101 253.8604 -203422.5998 2399.9024 0.0000 0.0000 52219.2531 -109493.5863 300.1048 -161712.8394 -109127.3912 299.0628 -124.7990 -92.7014 759632.2536 12.2503 12.3928 PRESSURE: 4247400 -80.929 -27.726 119.549 -27.7257 134.11 176.725 119.549 176.725 -92.9402 GPRESSURE: 4247400 -5.50068 -17.9097 122.098 -4.42767 188.1 182.984 39.8632 144.479 -113.406 PRESSAVG: 4247400 -20.399 -35.1786 -20.0378 -35.1785 36.3119 44.5134 -20.0378 44.5134 -5.00197 GPRESSAVG: 4247400 -21.4906 -35.6858 -19.7899 -33.3993 36.2965 43.7654 -21.611 46.0844 -3.98495 TIMING: 4247400 CPU: 13429.9, 0.00318459/step Wall: 13429.9, 0.00318459/step, 0.665755 hours remaining, 236.097656 MB of memory in use. ENERGY: 4247400 3963.2878 20648.2658 14449.7022 246.9574 -203120.9277 2352.2972 0.0000 0.0000 51724.7913 -109735.6260 297.2631 -161460.4173 -109382.4801 298.8685 -13.2532 23.0642 759216.3738 3.6370 3.6070 PRESSURE: 4247600 134.321 -47.922 92.1006 -47.9219 182.003 157.475 92.1004 157.477 33.9551 GPRESSURE: 4247600 248.952 -11.6072 88.9893 -7.4854 238.154 121.055 93.2621 64.8204 -46.4393 PRESSAVG: 4247600 -16.3266 -33.5241 3.69584 -33.524 72.8702 -27.2037 3.69581 -27.2037 -10.2783 GPRESSAVG: 4247600 -16.1478 -32.8671 4.38571 -33.4326 73.8917 -28.0605 5.25825 -27.2007 -11.5904 TIMING: 4247600 CPU: 13430.5, 0.0031942/step Wall: 13430.5, 0.0031942/step, 0.667587 hours remaining, 236.097656 MB of memory in use. ENERGY: 4247600 3921.9944 20456.2457 14434.8450 245.1078 -203677.4699 2652.1930 0.0000 0.0000 52026.0689 -109941.0151 298.9945 -161967.0839 -109586.5733 299.0339 116.7594 146.8889 760101.5483 15.4218 15.3845 PRESSURE: 4247800 -321.022 -93.9364 77.1985 -93.9358 -621.359 46.5164 77.1993 46.5167 -374.318 GPRESSURE: 4247800 -252.691 -43.8433 73.927 14.9957 -587.215 -57.9629 48.2071 -117.572 -371.08 PRESSAVG: 4247800 -31.0246 -25.8808 13.8743 -25.8808 5.78893 -76.6515 13.8743 -76.6515 -21.0276 GPRESSAVG: 4247800 -29.3218 -23.9526 12.587 -27.2784 2.96473 -75.5814 11.9263 -79.5071 -20.5311 TIMING: 4247800 CPU: 13431.1, 0.0032011/step Wall: 13431.1, 0.0032011/step, 0.668852 hours remaining, 236.097656 MB of memory in use. ENERGY: 4247800 3955.2476 20417.6785 14513.7025 264.6350 -203400.2765 2383.9786 0.0000 0.0000 51924.7833 -109940.2510 298.4124 -161865.0342 -109575.1822 298.4002 -438.8998 -403.6618 762025.1149 -15.4211 -15.6294 PRESSURE: 4248000 242.272 115.823 -9.82764 115.822 284.013 -125.835 -9.82813 -125.834 630.298 GPRESSURE: 4248000 253.527 104.481 5.94359 81.6071 337.905 -197.792 -48.9275 -85.0647 633.953 PRESSAVG: 4248000 -0.188543 29.0032 10.2092 29.0032 17.9365 -6.77549 10.2092 -6.77549 23.4897 GPRESSAVG: 4248000 -1.44056 26.1746 10.1449 30.2193 18.7088 -7.12539 10.5686 -5.70874 23.9605 TIMING: 4248000 CPU: 13431.8, 0.00320362/step Wall: 13431.8, 0.00320362/step, 0.669201 hours remaining, 236.097656 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: 4248000 3908.3557 20181.9512 14469.6061 241.8825 -203706.0276 2676.4745 0.0000 0.0000 52095.8796 -110131.8780 299.3957 -162227.7577 -109765.6978 298.2161 385.5279 408.4620 760515.3770 13.7459 13.7429 PRESSURE: 4248200 122.46 123.739 51.6412 123.739 504.721 69.1596 51.6407 69.1603 112.365 GPRESSURE: 4248200 99.9022 31.3808 68.108 322.135 537.559 114.714 -0.677245 -17.733 170.812 PRESSAVG: 4248200 -54.6011 49.51 15.7213 49.51 110.859 -28.5733 15.7213 -28.5733 6.73783 GPRESSAVG: 4248200 -55.0939 50.7608 15.5782 48.0208 110.713 -28.8275 16.0604 -26.2196 6.70817 TIMING: 4248200 CPU: 13432.4, 0.00320348/step Wall: 13432.4, 0.00320348/step, 0.668994 hours remaining, 236.097656 MB of memory in use. ENERGY: 4248200 3817.1984 20374.9220 14430.9097 229.0043 -203967.5253 3206.9401 0.0000 0.0000 51639.2039 -110269.3469 296.7712 -161908.5508 -109902.0870 297.6710 246.5151 269.4246 760731.9208 20.9985 20.7759 LDB: ============= START OF LOAD BALANCING ============== 13445 LDB: ============== END OF LOAD BALANCING =============== 13445 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13445 LDB: ============= START OF LOAD BALANCING ============== 13445.3 LDB: Largest compute 7075 load 0.036137 is 18.5% of average load 0.195644 LDB: Average compute 0.004361 is 2.2% of average load 0.195644 LDB: TIME 13445.3 LOAD: AVG 0.195644 MAX 0.219483 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.457 MB LDB: TIME 13445.3 LOAD: AVG 0.195644 MAX 0.219483 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: TIME 13445.3 LOAD: AVG 0.195644 MAX 0.216634 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.656 MB LDB: ============== END OF LOAD BALANCING =============== 13445.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13445.3 PRESSURE: 4248400 -171.185 -58.9288 138.073 -58.9288 -40.543 42.907 138.073 42.9078 243.898 GPRESSURE: 4248400 -145.626 -64.2448 82.3057 -78.4612 50.2536 -44.4142 57.7506 -103.481 200.099 PRESSAVG: 4248400 -91.2826 11.0035 28.968 11.0036 49.1367 -32.237 28.968 -32.237 -3.42369 GPRESSAVG: 4248400 -90.0833 11.6726 29.0263 12.399 49.0241 -31.0663 25.956 -35.3301 -4.2785 TIMING: 4248400 CPU: 13433.1, 0.00327858/step Wall: 13433.1, 0.00327858/step, 0.684494 hours remaining, 235.140625 MB of memory in use. ENERGY: 4248400 3995.8123 20208.0111 14432.8409 232.5483 -203534.2322 2574.3547 0.0000 0.0000 51824.0370 -110266.6278 297.8335 -162090.6648 -109897.4465 297.1744 10.7233 34.9090 761028.5364 -15.1898 -15.1126 PRESSURE: 4248600 -105.19 54.0259 170.112 54.0259 -172.334 -13.2732 170.112 -13.2733 46.7177 GPRESSURE: 4248600 -111.786 -101.332 174.188 2.87545 -144.953 -14.3048 184.036 118.456 104.828 PRESSAVG: 4248600 -10.6518 -30.7269 25.4942 -30.7268 -15.1598 -4.27598 25.4942 -4.27597 6.23994 GPRESSAVG: 4248600 -11.4956 -32.0705 26.4015 -30.8042 -15.4635 -6.11205 28.5454 -2.24339 6.81104 TIMING: 4248600 CPU: 13433.7, 0.00318732/step Wall: 13433.7, 0.00318732/step, 0.665264 hours remaining, 235.160156 MB of memory in use. ENERGY: 4248600 3959.5959 20472.6179 14438.9459 234.0214 -203766.9780 2734.6731 0.0000 0.0000 51783.0928 -110144.0308 297.5981 -161927.1236 -109785.2930 297.7234 -76.9355 -50.6370 761091.9713 -6.5239 -6.7160 PRESSURE: 4248800 56.8873 -1.62199 -0.695442 -1.62301 178.215 -35.3935 -0.695266 -35.3946 -134.013 GPRESSURE: 4248800 125.051 98.2135 122.214 38.3908 128.27 -88.8417 -113.595 50.7402 -70.2545 PRESSAVG: 4248800 -23.4885 -21.7838 60.1555 -21.7838 28.6641 63.0386 60.1555 63.0386 11.4104 GPRESSAVG: 4248800 -23.6933 -20.9712 59.8385 -21.4863 29.6715 63.5014 56.4306 63.1625 11.177 TIMING: 4248800 CPU: 13434.3, 0.00319294/step Wall: 13434.3, 0.00319294/step, 0.66626 hours remaining, 235.250000 MB of memory in use. ENERGY: 4248800 3970.8281 20428.8257 14399.4541 247.9729 -203541.7721 2497.2840 0.0000 0.0000 52087.2545 -109910.1527 299.3462 -161997.4072 -109546.0632 298.1688 33.6964 61.0220 759784.6303 5.5287 5.7184 PRESSURE: 4249000 129.556 -122.698 60.5386 -122.698 -33.761 168 60.5391 168 617.144 GPRESSURE: 4249000 173.011 -77.3743 78.6179 -121.849 76.8022 187.54 42.3817 199.454 539.823 PRESSAVG: 4249000 -41.9137 6.06291 61.5858 6.06293 64.4936 17.5756 61.5858 17.5756 37.5995 GPRESSAVG: 4249000 -41.4606 5.27658 62.8189 4.29327 64.6115 18.513 64.4587 16.4041 36.4659 TIMING: 4249000 CPU: 13435, 0.00319203/step Wall: 13435, 0.00319203/step, 0.665892 hours remaining, 235.250000 MB of memory in use. ENERGY: 4249000 3990.5380 20545.8693 14478.9076 238.6857 -204021.2548 2949.1665 0.0000 0.0000 51642.7419 -110175.3459 296.7915 -161818.0877 -109818.9090 298.3078 237.6462 263.2120 759836.6124 20.0598 19.8723 PRESSURE: 4249200 -104.231 39.5804 57.007 39.58 -237.355 -1.38691 57.0077 -1.38691 196.409 GPRESSURE: 4249200 -110.12 149.755 62.5215 126.51 -142.892 -80.832 -48.3745 17.0207 206.527 PRESSAVG: 4249200 -21.2714 32.9644 38.8576 32.9643 -4.09109 -33.2708 38.8576 -33.2708 11.9831 GPRESSAVG: 4249200 -22.3421 33.3111 37.3145 35.6324 -4.18509 -32.6213 37.635 -32.9888 12.6834 TIMING: 4249200 CPU: 13435.6, 0.0031965/step Wall: 13435.6, 0.0031965/step, 0.666649 hours remaining, 235.316406 MB of memory in use. ENERGY: 4249200 3984.0022 20360.2934 14419.6919 253.3688 -203731.5983 2545.1239 0.0000 0.0000 52127.2746 -110041.8434 299.5762 -162169.1181 -109694.0854 297.8038 -48.3924 -15.4947 759399.2004 -4.4598 -4.6146 PRESSURE: 4249400 230.373 54.9078 -87.1082 54.9077 -228.312 -129.007 -87.1083 -129.007 226.775 GPRESSURE: 4249400 207.688 74.8131 -65.5761 86.5311 -153.498 -69.276 -137.974 -40.2429 267.859 PRESSAVG: 4249400 53.4736 38.0185 10.284 38.0186 -40.0341 2.04233 10.284 2.04234 -26.2215 GPRESSAVG: 4249400 53.5575 38.6407 8.57891 36.4923 -40.2249 0.176374 10.333 3.77324 -26.5278 TIMING: 4249400 CPU: 13436.3, 0.00319967/step Wall: 13436.3, 0.00319967/step, 0.667131 hours remaining, 235.519531 MB of memory in use. ENERGY: 4249400 4053.9447 20416.8482 14412.9164 253.8394 -203633.7840 2532.0634 0.0000 0.0000 51882.5056 -110081.6662 298.1695 -161964.1719 -109715.1705 298.4090 76.2788 107.3495 759389.1066 -4.2607 -4.3984 PRESSURE: 4249600 278.256 -480.688 -89.9653 -480.688 172.819 248.397 -89.9652 248.398 581.729 GPRESSURE: 4249600 369.271 -266.405 -90.4151 -405.681 229.582 221.478 -121.785 135.181 522.006 PRESSAVG: 4249600 29.6195 -22.9056 23.4329 -22.9056 -35.212 1.94407 23.4329 1.94405 10.8156 GPRESSAVG: 4249600 30.0256 -21.3986 23.1622 -21.7038 -36.1314 2.68295 26.7104 -0.137194 11.2696 TIMING: 4249600 CPU: 13436.9, 0.00320165/step Wall: 13436.9, 0.00320165/step, 0.667367 hours remaining, 235.519531 MB of memory in use. ENERGY: 4249600 4018.8881 20434.7299 14451.7765 231.2642 -203558.3840 2558.9084 0.0000 0.0000 51945.8725 -109916.9445 298.5336 -161862.8170 -109571.5137 298.7096 344.2679 373.6196 759221.4244 1.7410 1.7213 PRESSURE: 4249800 -34.9983 -47.374 -72.8274 -47.3742 -175.597 -12.5844 -72.8275 -12.5856 546.118 GPRESSURE: 4249800 -54.6299 -107.344 -143.463 -101.603 -105.049 26.7717 -158.575 40.1282 593.173 PRESSAVG: 4249800 26.9688 -0.958624 24.1481 -0.958688 -10.135 -3.80769 24.1481 -3.80781 -0.255551 GPRESSAVG: 4249800 27.4271 -5.57458 24.3779 -1.45792 -9.82695 -2.48885 20.7055 -3.73053 -0.850624 TIMING: 4249800 CPU: 13437.5, 0.00320986/step Wall: 13437.5, 0.00320986/step, 0.6689 hours remaining, 235.519531 MB of memory in use. ENERGY: 4249800 3976.0867 20546.6122 14344.4603 235.8573 -203868.4550 2778.6174 0.0000 0.0000 51919.8955 -110066.9256 298.3844 -161986.8211 -109701.4572 298.5060 111.8407 144.4979 757430.6053 5.5261 5.5832 PRESSURE: 4250000 -18.7405 -192.658 -126.275 -192.658 211.132 -47.2767 -126.274 -47.277 -90.2664 GPRESSURE: 4250000 44.2195 -174.585 -165.8 -117.514 242.801 -203.278 -110.698 38.6331 -87.618 PRESSAVG: 4250000 -22.5307 2.95103 26.0114 2.95101 7.2953 -16.3365 26.0114 -16.3364 -10.0961 GPRESSAVG: 4250000 -22.6381 4.53039 26.7739 3.4122 6.63132 -16.2339 25.8652 -16.6731 -9.09866 TIMING: 4250000 CPU: 13438.2, 0.00319347/step Wall: 13438.2, 0.00319347/step, 0.665307 hours remaining, 235.519531 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: 4250000 4082.2929 20381.2276 14479.9380 247.8356 -203643.5324 2699.0342 0.0000 0.0000 51785.9869 -109967.2172 297.6148 -161753.2041 -109615.6643 297.7198 34.0418 66.4676 761023.2931 -8.4439 -8.3685 PRESSURE: 4250200 -171.443 210.149 8.88875 210.148 -130.363 -145.565 8.88904 -145.567 -122.843 GPRESSURE: 4250200 -164.859 289.7 -7.31687 217.046 -102.057 -123.689 -35.9426 -79.5598 -52.215 PRESSAVG: 4250200 -62.9302 5.45468 45.5187 5.45468 52.5038 -29.8051 45.5187 -29.8052 13.5276 GPRESSAVG: 4250200 -62.8837 5.082 45.2291 4.68696 52.1342 -33.0366 47.7889 -27.5305 13.7815 TIMING: 4250200 CPU: 13438.8, 0.00321105/step Wall: 13438.8, 0.00321105/step, 0.668789 hours remaining, 235.519531 MB of memory in use. ENERGY: 4250200 4080.6507 20503.8452 14431.4839 248.5816 -203100.9461 2304.5392 0.0000 0.0000 51796.5693 -109735.2761 297.6756 -161531.8454 -109381.4895 298.6433 -141.5498 -106.3770 761930.9255 1.0337 1.0107 PRESSURE: 4250400 -375.863 111.557 -25.8257 111.556 -260.853 180.513 -25.8253 180.512 -130.126 GPRESSURE: 4250400 -310.994 91.9275 -98.5716 0.850908 -289.134 120.509 -37.0567 99.0527 -73.0005 PRESSAVG: 4250400 -38.8679 13.4848 34.235 13.4848 8.28455 -22.9501 34.2349 -22.9502 6.04787 GPRESSAVG: 4250400 -38.5776 11.8468 36.5065 15.1462 8.62886 -21.7216 33.3866 -23.6989 5.32686 TIMING: 4250400 CPU: 13439.5, 0.00321533/step Wall: 13439.5, 0.00321533/step, 0.669504 hours remaining, 235.519531 MB of memory in use. ENERGY: 4250400 4002.4280 20476.4105 14447.3425 253.0414 -202899.3938 2297.4579 0.0000 0.0000 52054.9612 -109367.7523 299.1606 -161422.7135 -109008.9004 298.8548 -255.6138 -224.3762 761076.3649 -8.1785 -8.2073 PRESSURE: 4250600 318.132 215.852 124.286 215.852 115.784 -251.586 124.286 -251.587 -105.593 GPRESSURE: 4250600 277.938 268.135 138.592 185.282 174.005 -141.808 173.48 -387.586 -47.0932 PRESSAVG: 4250600 15.6102 29.6638 71.6393 29.6638 -13.7274 -53.7555 71.6394 -53.7555 1.16142 GPRESSAVG: 4250600 14.7277 30.5789 68.6966 27.2308 -12.7727 -54.4594 73.1656 -54.6666 1.19976 TIMING: 4250600 CPU: 13440.1, 0.00319667/step Wall: 13440.1, 0.00319667/step, 0.665441 hours remaining, 235.519531 MB of memory in use. ENERGY: 4250600 3961.1232 20346.5362 14529.6016 252.9069 -203170.7268 2323.3345 0.0000 0.0000 52113.5271 -109643.6974 299.4972 -161757.2245 -109276.2090 298.8585 109.4411 134.9498 760311.9140 1.0147 1.0516 PRESSURE: 4250800 -222.648 62.1624 -165.385 62.1627 -258.87 -16.9459 -165.385 -16.9453 302.041 GPRESSURE: 4250800 -215.825 -11.6279 -229.513 106.843 -137.795 67.0639 -63.2446 -12.6519 254.363 PRESSAVG: 4250800 12.2215 40.9009 69.0114 40.9008 28.5432 -6.6144 69.0114 -6.61443 11.5764 GPRESSAVG: 4250800 12.1485 40.5931 68.7367 41.7516 27.6434 -4.88905 69.2402 -5.61532 12.3161 TIMING: 4250800 CPU: 13440.8, 0.00320186/step Wall: 13440.8, 0.00320186/step, 0.666344 hours remaining, 235.519531 MB of memory in use. ENERGY: 4250800 4032.7686 20451.2316 14472.0990 252.9249 -203373.3409 2371.3562 0.0000 0.0000 52095.2178 -109697.7427 299.3919 -161792.9605 -109341.5391 299.2726 -59.8254 -33.0857 761023.1174 17.4470 17.3693 PRESSURE: 4251000 -31.0609 -49.0984 41.2792 -49.0984 298.801 -147.383 41.2794 -147.384 98.918 GPRESSURE: 4251000 -5.96097 -76.095 69.2622 -158.043 295.598 -80.7653 93.846 -104.76 153.216 PRESSAVG: 4251000 -5.71526 -0.997148 49.455 -0.99708 15.48 -38.6754 49.455 -38.6754 -1.19049 GPRESSAVG: 4251000 -5.3667 0.550841 51.236 -0.808775 15.7176 -38.5869 48.1893 -39.9723 -2.02587 TIMING: 4251000 CPU: 13441.4, 0.00319994/step Wall: 13441.4, 0.00319994/step, 0.665765 hours remaining, 235.519531 MB of memory in use. ENERGY: 4251000 3979.4568 20512.7748 14503.9933 269.8447 -203331.9713 2443.7627 0.0000 0.0000 51922.1337 -109700.0053 298.3972 -161622.1391 -109339.8231 298.4728 122.2195 147.6177 760082.7485 2.8581 2.7750 PRESSURE: 4251200 -79.0873 -58.1051 103.908 -58.1054 98.3968 25.0428 103.908 25.0418 -7.4758 GPRESSURE: 4251200 -29.8724 -125.042 117.936 71.9546 43.6674 24.8827 64.4382 158.342 97.0631 PRESSAVG: 4251200 -17.1635 -62.7893 -22.0066 -62.7893 34.0045 23.2778 -22.0066 23.2778 6.63424 GPRESSAVG: 4251200 -15.9644 -64.8415 -21.1464 -63.2705 33.5522 20.8092 -22.6873 24.0069 5.6945 TIMING: 4251200 CPU: 13442, 0.0031874/step Wall: 13442, 0.0031874/step, 0.66298 hours remaining, 235.519531 MB of memory in use. ENERGY: 4251200 3973.0634 20527.4679 14494.2558 251.9543 -203297.9084 2365.1261 0.0000 0.0000 52072.3102 -109613.7307 299.2603 -161686.0409 -109250.9266 298.8059 3.9445 36.9527 759928.6139 7.8251 7.7608 PRESSURE: 4251400 -104.188 1.62733 -175.197 1.62771 -199.655 145.557 -175.197 145.557 533.02 GPRESSURE: 4251400 -137.79 -82.8047 -141.51 103.807 -69.7007 80.3528 -135.674 93.1022 524 PRESSAVG: 4251400 13.1555 7.90762 20.1613 7.90762 13.6151 -19.5389 20.1613 -19.539 -3.64775 GPRESSAVG: 4251400 10.8756 9.3113 19.7824 8.70816 14.6622 -17.7287 20.925 -19.5186 -2.83269 TIMING: 4251400 CPU: 13442.7, 0.00317903/step Wall: 13442.7, 0.00317904/step, 0.661063 hours remaining, 235.519531 MB of memory in use. ENERGY: 4251400 4019.3295 20452.5803 14459.7745 225.5737 -203247.8520 2505.1371 0.0000 0.0000 52087.2799 -109498.1771 299.3463 -161585.4570 -109127.0285 299.3433 76.3922 105.5029 760732.0942 7.7076 7.5684 PRESSURE: 4251600 141.242 146.111 153.259 146.112 -300.168 -33.3155 153.259 -33.3155 -1.15423 GPRESSURE: 4251600 158.129 124.283 90.3464 138.411 -190.003 -23.4777 14.2995 -97.3685 -25.9128 PRESSAVG: 4251600 1.56355 55.1975 -14.5089 55.1975 -11.6614 -30.5648 -14.5088 -30.5648 3.52488 GPRESSAVG: 4251600 0.108545 57.236 -15.3984 53.7324 -10.1298 -29.9965 -14.9981 -30.3476 3.44551 TIMING: 4251600 CPU: 13443.3, 0.00319112/step Wall: 13443.3, 0.00319112/step, 0.663398 hours remaining, 235.519531 MB of memory in use. ENERGY: 4251600 4120.6115 20454.4690 14458.5710 255.0854 -203384.4398 2379.5983 0.0000 0.0000 52286.7489 -109429.3558 300.4927 -161716.1047 -109068.0778 299.8241 -53.3604 -19.2622 760158.8370 -2.1910 -2.1919 PRESSURE: 4251800 -139.054 -121.815 212.734 -121.815 -116.609 148.688 212.735 148.689 -218.122 GPRESSURE: 4251800 -65.2814 -47.5161 243.886 -154.327 -126.47 118.867 141.629 144.316 -188.105 PRESSAVG: 4251800 32.3676 -27.4488 64.4233 -27.4488 -25.5367 -22.4472 64.4234 -22.4471 20.5307 GPRESSAVG: 4251800 34.7778 -28.8688 65.2162 -26.205 -26.9201 -23.5279 65.7862 -21.2141 19.2424 TIMING: 4251800 CPU: 13443.9, 0.00321368/step Wall: 13443.9, 0.00321368/step, 0.66791 hours remaining, 235.519531 MB of memory in use. ENERGY: 4251800 4020.2230 20573.3658 14446.6856 239.9988 -203428.5154 2406.8085 0.0000 0.0000 52314.5495 -109426.8841 300.6524 -161741.4336 -109055.8232 299.6462 -157.9287 -126.6187 760691.9964 9.1205 9.0333 PRESSURE: 4252000 134.353 -11.7378 181.571 -11.738 44.3792 198.34 181.571 198.34 -57.2559 GPRESSURE: 4252000 129.962 138.026 50.9402 -26.4789 86.8006 188.333 258.767 143.288 -38.5256 PRESSAVG: 4252000 -7.05337 -37.7305 -14.3911 -37.7305 -7.72529 41.6438 -14.3911 41.6438 -0.0876771 GPRESSAVG: 4252000 -8.05467 -37.2713 -15.8925 -36.8009 -8.00023 42.1485 -14.7345 40.9465 0.264139 TIMING: 4252000 CPU: 13444.6, 0.00319737/step Wall: 13444.6, 0.00319737/step, 0.664343 hours remaining, 235.519531 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: 4252000 4028.6364 20679.1446 14439.6104 235.3541 -203221.3670 2328.0322 0.0000 0.0000 52134.9830 -109375.6064 299.6205 -161510.5894 -109017.6575 299.8335 40.4922 59.4124 760022.1549 -4.9554 -5.2636 PRESSURE: 4252200 -406.754 -87.3102 80.1015 -87.3093 -194.428 113.686 80.1015 113.685 155.18 GPRESSURE: 4252200 -327.398 -52.7291 87.8385 31.0434 -119.634 108.638 141.921 9.07617 99.7679 PRESSAVG: 4252200 -20.6785 -34.9356 24.6667 -34.9357 9.57562 31.7582 24.6667 31.7582 -1.18237 GPRESSAVG: 4252200 -20.537 -34.0769 26.5112 -37.315 10.3183 31.6794 24.8283 32.2639 -1.07386 TIMING: 4252200 CPU: 13445.2, 0.00317858/step Wall: 13445.2, 0.00317858/step, 0.660262 hours remaining, 235.519531 MB of memory in use. ENERGY: 4252200 4070.4763 20471.1710 14472.2883 226.0518 -203042.9229 2172.1202 0.0000 0.0000 52470.9958 -109159.8196 301.5515 -161630.8153 -108795.8973 299.9546 -148.6676 -115.7547 759880.1451 -4.0951 -3.7642 LDB: ============= START OF LOAD BALANCING ============== 13457.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13457.8 LDB: =============== DONE WITH MIGRATION ================ 13457.8 LDB: ============= START OF LOAD BALANCING ============== 13458.1 LDB: Largest compute 7075 load 0.038744 is 19.8% of average load 0.195589 LDB: Average compute 0.004387 is 2.2% of average load 0.195589 LDB: TIME 13458.1 LOAD: AVG 0.195589 MAX 0.220472 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.871 MB LDB: TIME 13458.1 LOAD: AVG 0.195589 MAX 0.220472 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: TIME 13458.1 LOAD: AVG 0.195589 MAX 0.217692 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.871 MB LDB: ============== END OF LOAD BALANCING =============== 13458.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13458.1 PRESSURE: 4252400 -14.0161 -146.444 277.1 -146.444 188.15 -27.8533 277.1 -27.8539 16.1729 GPRESSURE: 4252400 113.638 -105.602 305.368 -142.892 149.808 46.6832 193.53 -210.881 16.3917 PRESSAVG: 4252400 24.7069 -45.1793 -6.24334 -45.1793 26.3378 18.7315 -6.24337 18.7315 -7.32988 GPRESSAVG: 4252400 25.0643 -47.275 -5.42353 -44.72 25.6629 19.0664 -5.90009 17.2581 -6.34966 TIMING: 4252400 CPU: 13445.9, 0.00324277/step Wall: 13445.9, 0.00324277/step, 0.673415 hours remaining, 236.902344 MB of memory in use. ENERGY: 4252400 3996.2875 20507.8462 14398.3566 239.4276 -203266.9209 2366.3508 0.0000 0.0000 52265.3302 -109493.3220 300.3696 -161758.6522 -109125.0734 299.9732 63.4354 93.2792 758746.5896 14.5716 14.7925 PRESSURE: 4252600 -44.6854 94.16 109.046 94.1594 -630.486 124.737 109.047 124.737 -114.324 GPRESSURE: 4252600 -71.8383 -53.0193 105.54 78.9573 -506.974 69.119 224.96 153.2 -111.116 PRESSAVG: 4252600 -21.9815 -43.4592 45.3546 -43.4592 -2.28449 47.0326 45.3546 47.0325 -6.05325 GPRESSAVG: 4252600 -22.057 -45.1913 45.4479 -41.5805 -2.87735 46.3097 43.7834 46.619 -5.88745 TIMING: 4252600 CPU: 13446.5, 0.00319728/step Wall: 13446.5, 0.00319729/step, 0.663792 hours remaining, 236.972656 MB of memory in use. ENERGY: 4252600 3931.7564 20562.2197 14468.1657 242.3329 -203082.8298 2102.7063 0.0000 0.0000 52179.2980 -109596.3508 299.8751 -161775.6488 -109241.8030 299.1486 -263.1650 -229.9762 760338.1625 -10.1064 -10.2739 PRESSURE: 4252800 -210.509 -250.876 -185.834 -250.876 -367.615 -199.587 -185.835 -199.588 178.555 GPRESSURE: 4252800 -118.098 -253.549 -233.552 -176.127 -348.64 -176.73 -26.2648 -90.0276 173.839 PRESSAVG: 4252800 15.8454 -31.2838 27.3079 -31.2837 26.2012 42.8109 27.308 42.8108 -5.82739 GPRESSAVG: 4252800 15.3081 -29.5964 26.3534 -31.859 27.5641 44.2312 29.1619 43.97 -6.01601 TIMING: 4252800 CPU: 13447.1, 0.00316748/step Wall: 13447.1, 0.00316748/step, 0.657428 hours remaining, 236.972656 MB of memory in use. ENERGY: 4252800 4002.0466 20398.5003 14418.3350 216.0180 -203368.9408 2359.6340 0.0000 0.0000 52153.0150 -109821.3919 299.7241 -161974.4068 -109454.7113 298.8212 -133.1897 -97.6332 758869.9696 12.0731 12.2854 PRESSURE: 4253000 84.0529 -142.456 289.69 -142.456 98.1925 -9.99278 289.692 -9.99234 26.7218 GPRESSURE: 4253000 87.7494 -73.2839 406.506 -192.297 169.307 22.2615 330.627 -168.973 28.9785 PRESSAVG: 4253000 -22.6727 0.583208 49.1225 0.583232 36.3842 23.0811 49.1225 23.0811 6.46852 GPRESSAVG: 4253000 -20.4968 1.2354 50.7287 0.666871 34.459 21.3209 48.4736 19.5045 6.58107 TIMING: 4253000 CPU: 13447.8, 0.00319557/step Wall: 13447.8, 0.00319557/step, 0.66308 hours remaining, 236.972656 MB of memory in use. ENERGY: 4253000 4057.6689 20412.1218 14364.2570 255.1476 -203293.6165 2355.7452 0.0000 0.0000 52115.1293 -109733.5467 299.5064 -161848.6760 -109367.2563 298.7067 69.6558 95.3451 759144.6571 6.7267 6.8478 PRESSURE: 4253200 -100.859 202.525 -75.3798 202.525 -402.934 56.4327 -75.3801 56.4321 -129.789 GPRESSURE: 4253200 -165.556 240.661 -126.288 48.5687 -311.068 58.0511 -107.826 46.5463 -62.8367 PRESSAVG: 4253200 60.6025 -12.4701 36.2022 -12.47 -52.4053 65.5446 36.2022 65.5446 -17.6136 GPRESSAVG: 4253200 58.8127 -12.5481 35.721 -13.7389 -50.7767 66.365 37.8038 65.8421 -17.5865 TIMING: 4253200 CPU: 13448.4, 0.00320599/step Wall: 13448.4, 0.00320599/step, 0.665065 hours remaining, 236.972656 MB of memory in use. ENERGY: 4253200 4041.0963 20456.4419 14465.0146 233.5918 -202685.3197 2056.9954 0.0000 0.0000 51864.1487 -109568.0308 298.0640 -161432.1795 -109208.9241 298.9623 -211.1943 -179.8201 759357.1239 -3.1388 -3.1835 PRESSURE: 4253400 -185.135 126.232 -87.5632 126.232 -373.215 -147.599 -87.5632 -147.599 8.78086 GPRESSURE: 4253400 -250.931 71.262 -125.08 106.575 -204.361 -167.456 -126.756 -42.083 6.42713 PRESSAVG: 4253400 -71.6215 8.28748 3.23332 8.28744 47.0655 30.8537 3.23327 30.8537 4.37052 GPRESSAVG: 4253400 -71.3544 6.67503 1.92486 7.88616 47.455 30.1229 3.39465 34.6767 3.4168 TIMING: 4253400 CPU: 13449.1, 0.00320304/step Wall: 13449.1, 0.00320304/step, 0.664276 hours remaining, 236.972656 MB of memory in use. ENERGY: 4253400 3974.6759 20597.7367 14474.1194 248.8189 -203129.4335 2306.7630 0.0000 0.0000 51909.1212 -109618.1984 298.3224 -161527.3196 -109256.0381 298.8688 -183.1899 -149.6215 761112.9536 -6.7285 -6.8275 PRESSURE: 4253600 -196.457 -147.369 -16.5779 -147.369 20.2584 116.292 -16.5787 116.291 211.832 GPRESSURE: 4253600 -245.673 -138.226 -24.9641 -5.85763 171.23 195.98 9.23946 16.8717 183.903 PRESSAVG: 4253600 -22.4328 -49.4355 10.6681 -49.4355 49.067 -57.5645 10.668 -57.5645 10.061 GPRESSAVG: 4253600 -21.1435 -47.835 12.2494 -48.2154 47.6452 -58.0118 7.28407 -57.2299 10.8974 TIMING: 4253600 CPU: 13449.7, 0.00318259/step Wall: 13449.7, 0.00318259/step, 0.659856 hours remaining, 236.972656 MB of memory in use. ENERGY: 4253600 4006.0549 20563.3459 14411.2668 275.6445 -203953.2828 2851.9434 0.0000 0.0000 52138.6785 -109706.3488 299.6417 -161845.0273 -109348.8522 298.6617 11.8776 36.4869 759704.1738 12.2317 12.4664 PRESSURE: 4253800 231.41 -112.335 52.4244 -112.336 210.735 270.906 52.4235 270.907 -243.534 GPRESSURE: 4253800 284.325 41.9725 40.018 -92.7154 158.258 296.213 6.85721 135.304 -169.834 PRESSAVG: 4253800 -44.5756 -46.4766 -16.3165 -46.4766 68.4387 13.2746 -16.3165 13.2746 -19.0613 GPRESSAVG: 4253800 -45.8804 -46.5391 -17.9666 -46.1583 68.7405 16.179 -11.8291 9.80213 -18.0629 TIMING: 4253800 CPU: 13450.3, 0.00318556/step Wall: 13450.3, 0.00318556/step, 0.660295 hours remaining, 236.972656 MB of memory in use. ENERGY: 4253800 3972.3478 20520.2992 14364.9438 226.1442 -203494.7055 2480.0901 0.0000 0.0000 52022.8613 -109908.0191 298.9761 -161930.8804 -109542.1500 298.3656 66.2034 90.9164 761159.6059 1.6006 1.5991 PRESSURE: 4254000 -25.3038 -177.788 -74.8993 -177.787 42.0594 -12.7682 -74.8994 -12.7688 183.441 GPRESSURE: 4254000 126.62 -210.777 -86.4157 -123.178 83.6312 81.6203 64.2622 77.0552 94.7854 PRESSAVG: 4254000 -17.2589 -33.6652 13.2817 -33.6652 34.3641 51.5869 13.2818 51.587 -8.0252 GPRESSAVG: 4254000 -15.2256 -33.7501 13.4953 -31.9508 34.6247 49.3878 13.0064 52.486 -10.4274 TIMING: 4254000 CPU: 13451, 0.00320787/step Wall: 13451, 0.00320787/step, 0.664742 hours remaining, 236.972656 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: 4254000 4039.9536 20421.1696 14379.1555 230.7699 -203412.9249 2523.4714 0.0000 0.0000 52005.9520 -109812.4529 298.8789 -161818.4049 -109442.7012 298.5412 66.7321 101.6788 761571.0891 3.0267 2.9906 PRESSURE: 4254200 -159.248 90.8708 130.814 90.8701 56.3087 -16.3295 130.813 -16.3286 -131.596 GPRESSURE: 4254200 -91.5324 98.8972 192.648 -15.8192 59.4172 -21.2037 95.1586 -100.482 -106.521 PRESSAVG: 4254200 -54.8957 -58.7446 27.5626 -58.7446 63.4472 8.53358 27.5626 8.5336 -19.7697 GPRESSAVG: 4254200 -55.962 -59.6901 29.3504 -60.672 63.878 9.1278 24.2308 8.17824 -18.3102 TIMING: 4254200 CPU: 13451.6, 0.0032171/step Wall: 13451.6, 0.0032171/step, 0.666477 hours remaining, 236.972656 MB of memory in use. ENERGY: 4254200 4005.3518 20764.8649 14443.8151 240.3627 -203363.4927 2177.4409 0.0000 0.0000 52151.7630 -109579.8943 299.7169 -161731.6572 -109218.0786 299.3556 -78.1787 -46.2121 760059.1300 -3.7394 -3.4647 PRESSURE: 4254400 -64.9058 30.2427 291.103 30.2431 -154.825 -157.565 291.103 -157.565 108.131 GPRESSURE: 4254400 50.347 -122.807 313.381 89.307 -128.084 -84.4512 182.66 -38.5039 43.8948 PRESSAVG: 4254400 -2.77545 -14.8456 36.7989 -14.8457 33.3758 40.3345 36.7989 40.3344 6.40212 GPRESSAVG: 4254400 -3.61393 -15.3324 33.8558 -13.0118 33.4984 39.2494 36.8649 43.902 6.43928 TIMING: 4254400 CPU: 13452.3, 0.00320308/step Wall: 13452.3, 0.00320308/step, 0.663394 hours remaining, 236.972656 MB of memory in use. ENERGY: 4254400 4015.9830 20515.5066 14452.0334 232.5581 -203685.2352 2595.4635 0.0000 0.0000 52090.6658 -109783.0248 299.3658 -161873.6906 -109409.0506 299.4425 -37.2002 -11.2807 760153.8999 12.3342 12.1079 PRESSURE: 4254600 13.75 -66.117 -196.12 -66.1164 32.6411 47.4981 -196.12 47.4989 -273.585 GPRESSURE: 4254600 103.371 -52.6816 -168.78 80.2914 -9.69521 110.149 -95.9702 47.7765 -225.47 PRESSAVG: 4254600 -26.1485 -24.7479 -16.892 -24.7479 12.7626 34.2819 -16.892 34.2819 -11.5112 GPRESSAVG: 4254600 -26.5836 -23.7343 -15.3631 -23.7378 13.5351 34.6463 -18.3398 31.6528 -11.9228 TIMING: 4254600 CPU: 13452.9, 0.00319174/step Wall: 13452.9, 0.00319174/step, 0.660868 hours remaining, 236.972656 MB of memory in use. ENERGY: 4254600 4001.5271 20549.0938 14457.9179 243.0255 -203465.9932 2424.4817 0.0000 0.0000 51941.1845 -109848.7626 298.5067 -161789.9471 -109480.0183 298.4798 -75.7311 -43.9311 760366.9402 -8.2990 -8.3237 PRESSURE: 4254800 -108.434 -37.115 -192.982 -37.115 258.576 27.4776 -192.983 27.479 369.603 GPRESSURE: 4254800 -19.3337 -115.341 -235.929 38.009 248.596 -29.7712 -276.062 99.2528 378.716 PRESSAVG: 4254800 15.3615 -121.801 -76.3943 -121.801 -12.0956 29.4527 -76.3943 29.4527 -1.9126 GPRESSAVG: 4254800 15.93 -120.675 -75.4225 -122.082 -12.8681 30.3104 -75.3742 28.716 -1.89391 TIMING: 4254800 CPU: 13453.5, 0.003206/step Wall: 13453.5, 0.003206/step, 0.663641 hours remaining, 236.972656 MB of memory in use. ENERGY: 4254800 4042.8010 20561.8966 14458.2376 236.8793 -203846.2038 2602.4665 0.0000 0.0000 52032.7241 -109911.1987 299.0328 -161943.9228 -109550.8417 298.0780 173.2481 202.6596 759763.2959 0.4511 0.3893 PRESSURE: 4255000 -13.0455 -9.33387 132.384 -9.33379 -47.6761 -148.375 132.384 -148.376 -185.38 GPRESSURE: 4255000 32.7785 -115.81 172.845 -88.1022 -32.5231 -157.546 99.2864 -55.2146 -148.179 PRESSAVG: 4255000 -10.7411 -49.7548 5.1926 -49.7548 76.6438 -45.7604 5.19257 -45.7603 10.0318 GPRESSAVG: 4255000 -10.6049 -50.3924 4.27044 -51.8416 76.9601 -45.1621 6.03282 -45.233 9.83163 TIMING: 4255000 CPU: 13454.2, 0.00320316/step Wall: 13454.2, 0.00320316/step, 0.662875 hours remaining, 236.972656 MB of memory in use. ENERGY: 4255000 4028.7664 20777.2746 14476.9922 244.2337 -203370.4688 2236.3382 0.0000 0.0000 51915.0544 -109691.8094 298.3565 -161606.8638 -109331.3841 299.0014 -82.0338 -49.3080 759814.1119 25.3115 25.3956 PRESSURE: 4255200 131.672 -71.0262 127.917 -71.0261 89.1966 -301.569 127.917 -301.568 -86.6425 GPRESSURE: 4255200 115.823 -148.604 185.555 -25.6677 145.408 -252.016 25.301 -265.36 -38.6451 PRESSAVG: 4255200 -0.199257 -22.426 7.96714 -22.426 31.6686 12.722 7.96708 12.7219 9.03547 GPRESSAVG: 4255200 -0.604775 -22.9291 8.34837 -22.2318 31.4277 11.9254 5.52041 14.1157 9.33577 TIMING: 4255200 CPU: 13454.8, 0.00318223/step Wall: 13454.8, 0.00318223/step, 0.658369 hours remaining, 236.972656 MB of memory in use. ENERGY: 4255200 3951.0080 20612.4736 14432.4975 240.2174 -203331.8802 2402.7677 0.0000 0.0000 52016.6477 -109676.2683 298.9404 -161692.9160 -109313.8997 298.8982 44.7419 74.1954 758814.5467 13.5016 13.3862 PRESSURE: 4255400 437.266 20.0943 -76.8697 20.0943 191.343 -28.1702 -76.8695 -28.1704 -94.3578 GPRESSURE: 4255400 471.26 -59.589 -79.8885 103.371 244.701 2.33782 -0.263436 -114.315 -125.698 PRESSAVG: 4255400 -38.4205 -28.8605 41.829 -28.8605 42.1874 12.393 41.8291 12.3931 8.40783 GPRESSAVG: 4255400 -38.0738 -28.1999 40.7737 -27.6254 41.7807 13.46 43.3298 10.8367 7.79292 TIMING: 4255400 CPU: 13455.5, 0.00320747/step Wall: 13455.5, 0.00320747/step, 0.663412 hours remaining, 236.972656 MB of memory in use. ENERGY: 4255400 4005.4318 20598.5999 14385.4846 246.8172 -203485.7565 2779.3776 0.0000 0.0000 51905.8269 -109564.2185 298.3035 -161470.0455 -109201.2591 299.1493 178.0838 196.7542 759914.1766 4.0582 3.8333 PRESSURE: 4255600 65.0316 16.7181 187.254 16.7179 12.0804 -123.14 187.256 -123.141 253.2 GPRESSURE: 4255600 156.837 -11.7756 132.658 33.7264 -18.848 -137.603 223.279 -133.493 282.569 PRESSAVG: 4255600 -26.6749 21.6356 38.3623 21.6357 58.2946 6.6163 38.3623 6.6164 25.2331 GPRESSAVG: 4255600 -27.1131 21.9426 39.8295 20.4642 57.5008 7.12539 38.3578 6.33009 26.4329 TIMING: 4255600 CPU: 13456.1, 0.00319072/step Wall: 13456.1, 0.00319072/step, 0.659771 hours remaining, 236.972656 MB of memory in use. ENERGY: 4255600 4002.3922 20487.8272 14501.4037 261.1934 -203131.5120 2178.2315 0.0000 0.0000 52244.8299 -109455.6341 300.2518 -161700.4641 -109086.5364 299.2678 110.1039 140.1857 759912.9985 18.9509 18.9402 PRESSURE: 4255800 -111.934 9.18543 54.2368 9.18608 -26.2262 -22.6933 54.2367 -22.6934 14.693 GPRESSURE: 4255800 -116.552 -3.87222 74.7622 26.4485 49.7173 6.56647 55.4602 -65.4847 59.4533 PRESSAVG: 4255800 21.0738 17.5941 4.69663 17.5942 -42.4663 -10.3338 4.69663 -10.3338 -9.65554 GPRESSAVG: 4255800 19.4619 17.3291 4.20072 19.8041 -40.943 -11.1106 3.54836 -8.96378 -9.65954 TIMING: 4255800 CPU: 13456.7, 0.00318524/step Wall: 13456.7, 0.00318524/step, 0.658459 hours remaining, 236.972656 MB of memory in use. ENERGY: 4255800 3975.9520 20522.6979 14566.3876 242.0415 -203445.3258 2564.9114 0.0000 0.0000 52214.5890 -109358.7463 300.0780 -161573.3353 -108994.1031 299.6757 -41.1558 -2.4605 760900.2885 -10.3494 -10.3802 PRESSURE: 4256000 66.2844 -193.333 -233.491 -193.333 276.103 -90.9337 -233.492 -90.935 240.75 GPRESSURE: 4256000 133.781 -70.8209 -187.157 -196.871 277.523 -69.2174 -155.283 -186.665 276.985 PRESSAVG: 4256000 9.26281 2.96755 -2.67913 2.96749 -31.1265 40.8671 -2.67908 40.8671 -8.74134 GPRESSAVG: 4256000 11.239 4.69699 -2.59996 1.43137 -31.952 41.6947 -1.73316 41.2473 -9.57824 TIMING: 4256000 CPU: 13457.4, 0.00317985/step Wall: 13457.4, 0.00317985/step, 0.657168 hours remaining, 236.972656 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: 4256000 3992.1301 20547.8214 14526.5027 254.5493 -203252.1869 2591.4394 0.0000 0.0000 52015.7461 -109323.9979 298.9352 -161339.7440 -108968.8139 299.2138 194.3791 229.4295 761970.2461 -10.2017 -10.0971 PRESSURE: 4256200 12.9615 57.6152 -65.8014 57.6164 98.1578 23.1503 -65.8015 23.1507 -436.185 GPRESSURE: 4256200 66.8491 17.5766 -79.7259 46.1513 92.9591 -23.2948 35.4841 162.155 -386.331 PRESSAVG: 4256200 -12.7303 -50.4946 7.39111 -50.4947 44.3573 -43.9057 7.39111 -43.9057 -2.02515 GPRESSAVG: 4256200 -13.4126 -52.7474 7.09357 -50.354 43.8555 -43.7743 7.34217 -44.9306 -1.08577 TIMING: 4256200 CPU: 13458, 0.00319521/step Wall: 13458, 0.00319521/step, 0.660166 hours remaining, 236.972656 MB of memory in use. ENERGY: 4256200 4045.9807 20473.0149 14476.2478 249.4004 -203311.8766 2714.4927 0.0000 0.0000 52072.4033 -109280.3369 299.2608 -161352.7402 -108927.7817 299.5969 -108.3551 -75.5076 763787.7479 9.8673 9.7857 LDB: ============= START OF LOAD BALANCING ============== 13470.5 LDB: ============== END OF LOAD BALANCING =============== 13470.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.5 LDB: ============= START OF LOAD BALANCING ============== 13470.9 LDB: Largest compute 7076 load 0.035658 is 18.2% of average load 0.195633 LDB: Average compute 0.004366 is 2.2% of average load 0.195633 LDB: TIME 13470.9 LOAD: AVG 0.195633 MAX 0.21628 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.043 MB LDB: TIME 13470.9 LOAD: AVG 0.195633 MAX 0.21628 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.082 MB LDB: TIME 13470.9 LOAD: AVG 0.195633 MAX 0.21628 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.082 MB LDB: ============== END OF LOAD BALANCING =============== 13470.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13470.9 PRESSURE: 4256400 -257.95 83.8821 108.798 83.8825 -97.301 -33.1805 108.798 -33.1819 63.428 GPRESSURE: 4256400 -231.391 128.267 130.62 180.528 -55.0495 -16.495 25.8884 -18.2466 80.1685 PRESSAVG: 4256400 -30.951 -12.1831 18.1747 -12.1831 13.5358 -5.58231 18.1747 -5.58236 5.17833 GPRESSAVG: 4256400 -30.6322 -11.1532 19.4703 -11.1554 13.498 -6.72039 17.5069 -5.9609 5.05558 TIMING: 4256400 CPU: 13458.7, 0.00325631/step Wall: 13458.7, 0.00325631/step, 0.672609 hours remaining, 236.996094 MB of memory in use. ENERGY: 4256400 3989.6357 20486.0879 14391.1731 235.1458 -203045.8225 2345.2880 0.0000 0.0000 52230.0855 -109368.4064 300.1670 -161598.4920 -109005.2048 299.4830 -97.2744 -68.7572 763644.8341 -4.0790 -4.0262 PRESSURE: 4256600 -119.464 -100.53 34.6417 -100.53 339.185 -23.9866 34.6414 -23.9862 -60.2116 GPRESSURE: 4256600 -137.7 -211.327 116.554 -143.636 334.957 -34.6496 112.326 6.28872 54.9491 PRESSAVG: 4256600 -18.3228 7.02993 53.8786 7.02998 37.6543 -49.7756 53.8786 -49.7756 3.68613 GPRESSAVG: 4256600 -20.1778 5.68103 52.6283 6.54848 38.9089 -49.3162 57.0399 -50.7814 4.1955 TIMING: 4256600 CPU: 13459.3, 0.00319652/step Wall: 13459.3, 0.00319652/step, 0.660081 hours remaining, 237.578125 MB of memory in use. ENERGY: 4256600 4017.6785 20626.5407 14498.2652 242.1382 -203152.0487 2691.6218 0.0000 0.0000 51686.1654 -109389.6389 297.0411 -161075.8043 -109035.8613 299.1468 53.1697 84.0688 761942.0647 7.6725 7.6422 PRESSURE: 4256800 -143.88 207.622 46.5763 207.621 -38.3904 -6.07981 46.5751 -6.08038 -123.144 GPRESSURE: 4256800 -121.081 165.934 39.2746 159.019 -12.1537 32.2021 -96.3847 51.5432 -95.8713 PRESSAVG: 4256800 -23.1316 -38.566 63.2137 -38.566 12.9095 -29.4333 63.2136 -29.4334 -2.17689 GPRESSAVG: 4256800 -22.5727 -35.6899 63.2191 -42.4914 12.6253 -30.1729 61.8371 -27.8612 -2.87527 TIMING: 4256800 CPU: 13459.9, 0.00318232/step Wall: 13459.9, 0.00318232/step, 0.656973 hours remaining, 237.578125 MB of memory in use. ENERGY: 4256800 3937.6476 20551.3855 14478.8463 252.6995 -202863.2365 2502.0859 0.0000 0.0000 51819.5366 -109321.0351 297.8076 -161140.5717 -108951.9661 299.2833 -101.8049 -76.3687 762042.3544 -4.1330 -4.2742 PRESSURE: 4257000 -394.971 -102.879 5.89365 -102.878 -117.901 2.8746 5.89453 2.87459 -387.079 GPRESSURE: 4257000 -369.254 -79.1066 10.1098 -39.8173 -179.367 16.1632 -0.049409 47.8217 -259.29 PRESSAVG: 4257000 14.3986 5.92276 51.0693 5.92271 -46.5095 18.4078 51.0694 18.4078 -13.2231 GPRESSAVG: 4257000 14.3178 4.76567 52.1331 10.5442 -47.0735 18.9235 49.6328 20.1545 -12.5751 TIMING: 4257000 CPU: 13460.6, 0.00319809/step Wall: 13460.6, 0.00319809/step, 0.660051 hours remaining, 237.578125 MB of memory in use. ENERGY: 4257000 3947.6240 20723.4950 14481.0919 265.5277 -203152.0474 2330.9219 0.0000 0.0000 51821.1780 -109582.2090 297.8170 -161403.3870 -109231.3374 299.2354 -299.9838 -269.3037 762119.5958 -15.1113 -15.1102 PRESSURE: 4257200 92.7304 -178.245 242.819 -178.245 123.541 19.0627 242.818 19.0633 214.153 GPRESSURE: 4257200 162.191 -138.386 101.544 -204.629 167.028 25.6244 245.635 -71.4937 200.537 PRESSAVG: 4257200 15.1769 -49.8012 7.66592 -49.8012 -20.5065 51.6458 7.66588 51.6457 9.44309 GPRESSAVG: 4257200 16.3875 -51.1324 6.92863 -50.938 -21.4754 51.7248 8.76563 47.5937 9.29886 TIMING: 4257200 CPU: 13461.2, 0.00319248/step Wall: 13461.2, 0.00319248/step, 0.658716 hours remaining, 237.578125 MB of memory in use. ENERGY: 4257200 3982.3714 20282.5282 14437.5685 252.4691 -203306.0609 2774.8145 0.0000 0.0000 51989.3795 -109586.9296 298.7837 -161576.3091 -109221.8691 298.5839 143.4748 176.5857 760624.0292 1.3711 1.4037 PRESSURE: 4257400 -441.013 58.9569 168.681 58.957 116.08 66.8716 168.68 66.8723 -33.7138 GPRESSURE: 4257400 -393.97 41.9321 145.446 -42.6694 160.276 50.1729 140.921 70.3144 -41.2916 PRESSAVG: 4257400 9.81382 -16.8702 40.8 -16.8702 48.7792 -9.99177 40.8 -9.99171 25.0851 GPRESSAVG: 4257400 10.0786 -17.2606 41.9666 -17.8502 49.8714 -9.27794 38.4402 -10.5554 23.3685 TIMING: 4257400 CPU: 13461.9, 0.0031899/step Wall: 13461.9, 0.0031899/step, 0.658005 hours remaining, 237.578125 MB of memory in use. ENERGY: 4257400 3960.3624 20506.9939 14514.2133 240.5708 -203501.5313 2386.9598 0.0000 0.0000 52116.0911 -109776.3400 299.5119 -161892.4311 -109412.5318 298.5474 -119.5489 -91.6619 760497.6553 27.8927 27.7728 PRESSURE: 4257600 48.9206 -155.467 96.8817 -155.468 337.272 175.379 96.8826 175.378 514.423 GPRESSURE: 4257600 78.7134 -176.875 100.371 -47.6422 361.507 195.613 167.111 128.192 533.606 PRESSAVG: 4257600 -25.1303 -12.2981 98.9736 -12.298 34.215 46.4806 98.9736 46.4806 -2.539 GPRESSAVG: 4257600 -25.1312 -12.5215 97.2456 -11.0804 33.8191 45.3057 102.336 49.1476 -2.11236 TIMING: 4257600 CPU: 13462.5, 0.00319906/step Wall: 13462.5, 0.00319906/step, 0.659718 hours remaining, 237.578125 MB of memory in use. ENERGY: 4257600 3958.1673 20537.4136 14556.1315 220.8441 -203820.8884 2879.0187 0.0000 0.0000 51896.1711 -109773.1419 298.2480 -161669.3130 -109411.7131 298.4701 300.2051 324.6088 759049.9220 2.1819 2.1919 PRESSURE: 4257800 -235.535 -21.4015 -37.819 -21.4021 12.2049 141.507 -37.8186 141.507 -217.821 GPRESSURE: 4257800 -104.777 -49.727 23.8663 -175.757 -45.7797 219.967 -68.5438 92.8912 -208.742 PRESSAVG: 4257800 35.9427 -35.2518 64.2666 -35.2518 21.9873 29.9291 64.2665 29.929 7.93593 GPRESSAVG: 4257800 35.5705 -34.8894 65.4471 -37.4498 21.2463 31.7399 62.2294 27.5625 8.86187 TIMING: 4257800 CPU: 13463.1, 0.00317875/step Wall: 13463.1, 0.00317875/step, 0.655353 hours remaining, 237.578125 MB of memory in use. ENERGY: 4257800 4027.8281 20348.8758 14517.9424 240.5345 -203472.9131 2471.4317 0.0000 0.0000 51960.1585 -109906.1422 298.6157 -161866.3007 -109550.5407 298.1860 -147.0505 -119.7664 760472.5339 21.9553 21.8929 PRESSURE: 4258000 -135.829 88.0935 -31.2213 88.0926 -237.139 -11.3695 -31.2221 -11.3695 -20.4885 GPRESSURE: 4258000 -80.1299 67.865 -76.1533 12.9486 -172.09 105.551 -30.4508 138.644 -60.8178 PRESSAVG: 4258000 -36.2396 -61.0579 18.2857 -61.0579 62.1702 -36.2285 18.2857 -36.2285 12.5201 GPRESSAVG: 4258000 -36.8095 -60.5738 17.6469 -59.9565 62.0112 -38.1019 18.3306 -33.7676 13.1068 TIMING: 4258000 CPU: 13463.8, 0.00318003/step Wall: 13463.8, 0.00318003/step, 0.65544 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: 4258000 3916.8702 20467.5889 14512.0879 245.5011 -203303.5232 2441.1605 0.0000 0.0000 51956.7322 -109763.5825 298.5961 -161720.3146 -109398.9128 298.6842 -131.1523 -104.3460 760362.6227 12.8169 12.7695 PRESSURE: 4258200 377.907 55.7089 -191.645 55.7081 -128.809 -152.636 -191.645 -152.637 240.079 GPRESSURE: 4258200 425.427 -31.7204 -237.397 -2.25766 -43.4502 -240.062 -166.525 -52.9742 184.951 PRESSAVG: 4258200 32.3333 -41.0246 37.6322 -41.0246 -32.9357 5.26803 37.6323 5.26792 7.00929 GPRESSAVG: 4258200 32.2133 -41.9811 39.4393 -39.5562 -33.2589 5.8373 37.6482 4.56724 6.96397 TIMING: 4258200 CPU: 13464.4, 0.00317548/step Wall: 13464.4, 0.00317548/step, 0.654326 hours remaining, 237.578125 MB of memory in use. ENERGY: 4258200 3982.7308 20356.9240 14464.7035 258.4942 -203579.7024 2627.0746 0.0000 0.0000 51997.9225 -109891.8528 298.8328 -161889.7753 -109525.7460 298.1304 163.0591 188.9759 759508.2712 2.1356 1.9728 PRESSURE: 4258400 24.9623 -222.611 49.3679 -222.612 -9.12819 115.045 49.3679 115.044 70.3248 GPRESSURE: 4258400 96.7412 -95.4956 159.129 -243.281 52.4526 185.302 -56.9254 130.504 24.0337 PRESSAVG: 4258400 20.7801 27.4477 0.759067 27.4476 -65.4571 52.3757 0.759128 52.3758 2.8676 GPRESSAVG: 4258400 20.5622 28.8595 -0.489783 26.3478 -63.8383 51.7204 1.84684 53.4819 1.20552 TIMING: 4258400 CPU: 13465, 0.00318818/step Wall: 13465, 0.00318818/step, 0.656766 hours remaining, 237.578125 MB of memory in use. ENERGY: 4258400 3925.2574 20387.3336 14541.2817 243.3224 -203439.8690 2473.0445 0.0000 0.0000 51888.8239 -109980.8055 298.2058 -161869.6294 -109620.3485 298.5053 28.7196 57.7425 759564.9010 -13.9365 -14.0235 PRESSURE: 4258600 132.426 -13.4117 82.5632 -13.4115 153.701 0.0638669 82.5624 0.0632808 96.6905 GPRESSURE: 4258600 121.851 -14.0381 156.56 79.0831 265.163 29.2163 -96.801 -24.2025 67.4668 PRESSAVG: 4258600 40.0916 1.62311 19.6228 1.62313 35.3226 60.8419 19.6228 60.8419 9.07033 GPRESSAVG: 4258600 39.784 0.266671 19.2903 3.13754 33.9641 61.4416 18.0749 59.9932 10.9251 TIMING: 4258600 CPU: 13465.7, 0.00321073/step Wall: 13465.7, 0.00321073/step, 0.661232 hours remaining, 237.578125 MB of memory in use. ENERGY: 4258600 3922.7176 20318.6822 14479.4742 253.7717 -203757.2060 2682.3793 0.0000 0.0000 51870.7158 -110229.4652 298.1017 -162100.1810 -109862.2212 297.8607 127.6057 151.4937 760597.8425 28.1615 28.2244 PRESSURE: 4258800 279.192 42.438 78.6175 42.4369 197.166 123.352 78.6174 123.352 -95.9071 GPRESSURE: 4258800 283.472 -32.6019 90.6344 178.083 218.436 91.1661 -2.61924 172.098 -46.4696 PRESSAVG: 4258800 -31.5672 -34.3945 -2.51072 -34.3945 -23.0857 7.27046 -2.5107 7.27052 4.48568 GPRESSAVG: 4258800 -31.4964 -33.1296 -3.21892 -36.0208 -21.8052 7.08335 -0.486786 7.07121 3.35398 TIMING: 4258800 CPU: 13466.3, 0.00319993/step Wall: 13466.3, 0.00319993/step, 0.65883 hours remaining, 237.578125 MB of memory in use. ENERGY: 4258800 3903.0174 20518.1726 14455.0264 242.7011 -203428.0740 2572.3826 0.0000 0.0000 51778.7160 -109958.0580 297.5730 -161736.7740 -109604.0093 298.0584 126.8169 151.8128 760158.2287 -16.7224 -16.6492 PRESSURE: 4259000 -113.555 114.988 34.9661 114.988 -445.015 -79.9116 34.9654 -79.9119 -480.157 GPRESSURE: 4259000 -142.49 56.9174 52.2324 148.424 -320.205 -84.1679 134.509 -79.2557 -506.628 PRESSAVG: 4259000 17.4186 -40.1692 5.60094 -40.1692 0.492508 -18.2443 5.60095 -18.2444 -2.14552 GPRESSAVG: 4259000 18.195 -40.1693 4.6939 -37.6985 -1.16211 -18.7638 4.49972 -19.1684 -0.817367 TIMING: 4259000 CPU: 13467, 0.0031821/step Wall: 13467, 0.0031821/step, 0.654982 hours remaining, 237.578125 MB of memory in use. ENERGY: 4259000 4006.8291 20388.2736 14424.8881 240.3046 -203355.5449 2271.8075 0.0000 0.0000 52060.6166 -109962.8255 299.1931 -162023.4421 -109595.6637 298.2540 -346.2421 -323.1075 760139.8039 5.2552 5.4052 PRESSURE: 4259200 -307.079 86.9761 -323.565 86.976 -114.425 -294.292 -323.565 -294.29 -273.779 GPRESSURE: 4259200 -287.544 -19.4481 -330.557 5.66347 -132.013 -290.26 -355.282 -294.045 -187.71 PRESSAVG: 4259200 -14.2111 8.28133 12.5406 8.28137 3.00167 -20.8333 12.5406 -20.8333 -13.2679 GPRESSAVG: 4259200 -15.0453 7.53513 15.9916 6.85585 4.52019 -21.2008 10.7783 -19.7356 -14.09 TIMING: 4259200 CPU: 13467.6, 0.00317598/step Wall: 13467.6, 0.00317598/step, 0.653546 hours remaining, 237.578125 MB of memory in use. ENERGY: 4259200 4046.6204 20469.2375 14454.7416 246.8511 -203564.5716 2560.9003 0.0000 0.0000 51932.4648 -109853.7558 298.4566 -161786.2207 -109496.6286 298.0699 -231.7611 -202.4223 761235.2345 -8.1591 -8.2050 PRESSURE: 4259400 -80.4099 196.321 16.3606 196.32 -322.894 -24.5622 16.361 -24.5625 -96.7157 GPRESSURE: 4259400 16.3111 79.5246 25.4602 88.8241 -300.001 -36.611 85.3929 123.525 -101.369 PRESSAVG: 4259400 -12.729 -29.4735 -51.3953 -29.4735 86.6172 -34.8307 -51.3953 -34.8308 8.71326 GPRESSAVG: 4259400 -11.9914 -31.3969 -53.7137 -28.6145 86.5542 -34.9217 -49.9338 -35.1124 8.73741 TIMING: 4259400 CPU: 13468.2, 0.0031758/step Wall: 13468.2, 0.0031758/step, 0.653332 hours remaining, 237.578125 MB of memory in use. ENERGY: 4259400 3981.1801 20415.0948 14454.2885 244.6930 -203514.9657 2532.1396 0.0000 0.0000 51974.4736 -109913.0961 298.6980 -161887.5697 -109546.3305 298.5868 -166.6732 -128.3531 759489.9456 27.5338 27.7667 PRESSURE: 4259600 -66.3914 -37.9352 88.024 -37.9345 107.764 284.505 88.0246 284.505 -309.052 GPRESSURE: 4259600 -30.0967 63.9014 135.125 -1.5292 210.204 239.835 89.196 244.343 -362.856 PRESSAVG: 4259600 -10.366 -31.825 -25.9699 -31.8251 -9.83687 4.72604 -25.97 4.72605 -12.5533 GPRESSAVG: 4259600 -10.7546 -29.0096 -25.033 -32.8309 -8.99643 6.79925 -26.7179 5.76415 -12.9042 TIMING: 4259600 CPU: 13468.9, 0.00316468/step Wall: 13468.9, 0.00316468/step, 0.65087 hours remaining, 237.578125 MB of memory in use. ENERGY: 4259600 4019.5899 20456.7331 14530.3376 260.6992 -203440.2021 2591.8966 0.0000 0.0000 51898.5760 -109682.3696 298.2618 -161580.9455 -109327.9460 298.0516 -89.2266 -60.9163 761405.2416 -10.9187 -10.8851 PRESSURE: 4259800 -141.697 -169.787 -28.8607 -169.788 42.1738 -33.7375 -28.8606 -33.7374 -270.348 GPRESSURE: 4259800 -95.1054 -252.901 -46.3713 -95.8404 36.464 -47.6153 -113.622 -65.7987 -223.221 PRESSAVG: 4259800 -48.6999 -19.9778 23.5064 -19.9778 25.7565 -7.65312 23.5064 -7.6531 0.0645006 GPRESSAVG: 4259800 -48.1327 -19.8169 21.3794 -20.7315 23.9686 -8.72561 22.9054 -7.66138 1.18521 TIMING: 4259800 CPU: 13469.5, 0.00319581/step Wall: 13469.5, 0.00319581/step, 0.657095 hours remaining, 237.578125 MB of memory in use. ENERGY: 4259800 3954.9372 20522.2538 14602.9663 250.6231 -203412.1125 2446.9479 0.0000 0.0000 51948.2696 -109686.1144 298.5474 -161634.3841 -109326.8722 299.1004 -123.2906 -93.9541 759789.2613 -7.6263 -7.6596 PRESSURE: 4260000 -5.284 275.5 -215.783 275.499 102.922 -86.5675 -215.782 -86.5662 -124.794 GPRESSURE: 4260000 76.9149 171.211 -169.326 321.665 134.047 -152.299 -247.601 -47.56 -150.687 PRESSAVG: 4260000 -38.5612 -35.28 1.22429 -35.28 1.80467 -37.5682 1.22434 -37.5683 -11.1731 GPRESSAVG: 4260000 -39.5129 -37.6761 3.49053 -33.0255 2.8148 -38.1574 1.63376 -38.4967 -11.7855 TIMING: 4260000 CPU: 13470.1, 0.00319215/step Wall: 13470.1, 0.00319215/step, 0.656164 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: 4260000 3960.1010 20430.8874 14551.8011 239.7787 -203563.1751 2856.6855 0.0000 0.0000 52155.1858 -109368.7355 299.7366 -161523.9212 -109005.4036 299.2946 -9.0521 20.0916 760943.6691 -15.9765 -16.1612 PRESSURE: 4260200 -75.8548 -92.1818 179.046 -92.1825 185.641 -417.838 179.046 -417.839 -121.858 GPRESSURE: 4260200 37.7227 -121.53 50.5323 -99.032 203.006 -392.118 92.3827 -332.84 -177.947 PRESSAVG: 4260200 12.0818 -2.7999 -26.7273 -2.79983 -16.8212 -47.4378 -26.7273 -47.4378 -11.8994 GPRESSAVG: 4260200 12.402 -2.08412 -28.5065 -2.68654 -17.3307 -46.081 -25.3506 -46.9369 -11.7018 TIMING: 4260200 CPU: 13470.8, 0.00318773/step Wall: 13470.8, 0.00318773/step, 0.655078 hours remaining, 237.578125 MB of memory in use. ENERGY: 4260200 3932.5117 20695.5125 14587.2419 243.5275 -203480.7156 2389.9460 0.0000 0.0000 52125.1571 -109506.8189 299.5640 -161631.9760 -109148.8379 299.2655 -4.0239 20.9272 760715.7244 -5.5463 -5.5435 LDB: ============= START OF LOAD BALANCING ============== 13483.3 LDB: ============== END OF LOAD BALANCING =============== 13483.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13483.3 LDB: ============= START OF LOAD BALANCING ============== 13483.6 LDB: Largest compute 7075 load 0.035030 is 17.9% of average load 0.195648 LDB: Average compute 0.004401 is 2.2% of average load 0.195648 LDB: TIME 13483.6 LOAD: AVG 0.195648 MAX 0.217308 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 13483.6 LOAD: AVG 0.195648 MAX 0.217308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.98 MB LDB: TIME 13483.6 LOAD: AVG 0.195648 MAX 0.217308 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.98 MB LDB: ============== END OF LOAD BALANCING =============== 13483.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13483.6 PRESSURE: 4260400 -191.242 105.295 -80.3397 105.294 -24.0796 -96.6369 -80.3398 -96.6365 138.956 GPRESSURE: 4260400 -220.068 110.535 -85.8975 81.6258 -0.990455 -107.83 -0.858405 -189.286 227.045 PRESSAVG: 4260400 -27.0451 2.85354 -8.25265 2.85362 28.6525 15.3646 -8.25268 15.3645 -5.89361 GPRESSAVG: 4260400 -27.0449 4.26924 -6.3087 0.759221 28.9312 15.1424 -8.60018 14.3009 -5.72157 TIMING: 4260400 CPU: 13471.4, 0.00324542/step Wall: 13471.4, 0.00324542/step, 0.666754 hours remaining, 235.636719 MB of memory in use. ENERGY: 4260400 3914.0108 20504.7393 14528.1810 253.7553 -203647.3503 2586.5977 0.0000 0.0000 52123.3339 -109736.7323 299.5535 -161860.0663 -109365.2865 299.3645 -25.4553 1.9956 759847.2370 -1.4287 -1.2784 PRESSURE: 4260600 -296.62 4.95592 219.349 4.95546 89.0084 260.361 219.348 260.36 28.3518 GPRESSURE: 4260600 -159.447 141.522 237.594 3.76487 99.3896 263.878 261.174 216.732 -33.0279 PRESSAVG: 4260600 -60.0243 3.99087 -16.406 3.99086 100.753 12.02 -16.4061 12.0201 6.60687 GPRESSAVG: 4260600 -59.3543 4.89354 -17.3837 3.65287 99.5332 11.5088 -15.2368 11.8625 6.94748 TIMING: 4260600 CPU: 13472.1, 0.00317561/step Wall: 13472.1, 0.00317561/step, 0.652235 hours remaining, 235.636719 MB of memory in use. ENERGY: 4260600 4019.8518 20587.7614 14555.7053 239.5113 -203622.6575 2517.8647 0.0000 0.0000 51880.7445 -109821.2185 298.1594 -161701.9630 -109459.0086 298.9417 -59.7532 -31.0285 759078.2173 15.7786 15.7088 PRESSURE: 4260800 42.9639 -26.7717 66.1617 -26.7719 77.7965 -9.66976 66.1628 -9.66976 662.599 GPRESSURE: 4260800 115.026 -26.4158 94.6415 -47.6553 149.651 40.8332 -2.2711 72.9817 600.79 PRESSAVG: 4260800 -42.8106 -10.5111 37.099 -10.5111 42.1529 7.10139 37.0991 7.10139 -10.8591 GPRESSAVG: 4260800 -43.5591 -10.6528 38.3172 -11.0761 42.7097 8.81018 37.2256 9.02352 -10.814 TIMING: 4260800 CPU: 13472.7, 0.00318203/step Wall: 13472.7, 0.00318203/step, 0.653376 hours remaining, 235.636719 MB of memory in use. ENERGY: 4260800 3953.8671 20533.5419 14554.6988 245.3992 -203792.9259 2793.6855 0.0000 0.0000 51987.3762 -109724.3572 298.7722 -161711.7334 -109364.7426 298.9781 261.1197 288.4892 761055.8132 -3.8389 -3.8878 PRESSURE: 4261000 103.237 11.4415 -41.4161 11.4412 14.1385 -127.652 -41.4154 -127.653 -125.871 GPRESSURE: 4261000 137.098 135.086 -70.8756 -80.3865 54.8575 -178.395 95.4257 43.7034 -101.244 PRESSAVG: 4261000 -62.513 -72.9568 12.5607 -72.9569 40.0436 -14.1758 12.5606 -14.1759 12.7748 GPRESSAVG: 4261000 -62.1295 -74.8977 11.4369 -70.8574 39.5147 -15.0827 11.9715 -14.1574 12.9774 TIMING: 4261000 CPU: 13473.3, 0.00318223/step Wall: 13473.3, 0.00318223/step, 0.653242 hours remaining, 235.636719 MB of memory in use. ENERGY: 4261000 3986.0209 20391.6934 14521.0816 251.2642 -203489.8505 2458.0247 0.0000 0.0000 52068.1514 -109813.6144 299.2364 -161881.7657 -109451.9122 298.7944 -2.8319 30.2371 760184.3904 -3.2316 -3.2125 PRESSURE: 4261200 -325.561 -65.2427 119.303 -65.2429 -432.962 -53.6946 119.303 -53.6944 -85.4285 GPRESSURE: 4261200 -340.923 -122.611 240.684 -184.052 -341.618 -86.1855 -18.62 -110.824 -45.9378 PRESSAVG: 4261200 -56.2982 -42.7952 19.9148 -42.7952 64.9839 24.3926 19.9148 24.3926 -14.7991 GPRESSAVG: 4261200 -56.0663 -41.7961 18.971 -43.3531 65.3552 23.57 20.0597 24.1256 -15.5005 TIMING: 4261200 CPU: 13474, 0.00319507/step Wall: 13474, 0.00319507/step, 0.655699 hours remaining, 235.636719 MB of memory in use. ENERGY: 4261200 3951.6929 20530.4007 14526.1279 268.6146 -203097.3094 2172.1196 0.0000 0.0000 52117.1882 -109531.1655 299.5182 -161648.3537 -109171.6620 299.3774 -281.3173 -242.8263 761490.3363 -2.0378 -2.0705 PRESSURE: 4261400 104.384 -134.489 137.466 -134.489 83.1666 -140.424 137.465 -140.423 -126.417 GPRESSURE: 4261400 238.25 -251.134 150.092 -87.1082 91.9649 -187.185 156.155 -46.4809 -183.157 PRESSAVG: 4261400 5.36509 -103.051 26.5435 -103.051 -41.3441 38.2797 26.5435 38.2797 17.5705 GPRESSAVG: 4261400 3.99216 -103.303 26.481 -101.935 -39.6933 38.7734 28.1523 38.1299 17.2681 TIMING: 4261400 CPU: 13474.6, 0.00316809/step Wall: 13474.6, 0.00316809/step, 0.649986 hours remaining, 235.636719 MB of memory in use. ENERGY: 4261400 4013.7303 20599.3531 14469.4155 252.8630 -203772.5933 2693.7606 0.0000 0.0000 52004.6901 -109738.7807 298.8717 -161743.4708 -109378.0395 299.4060 20.3776 49.0193 760346.5236 -6.1361 -6.1443 PRESSURE: 4261600 -66.7275 15.0647 35.0054 15.0648 -275.357 87.1864 35.0046 87.186 457.524 GPRESSURE: 4261600 -75.5611 -88.5835 31.7934 64.9934 -180.621 69.2419 58.926 17.9213 424.795 PRESSAVG: 4261600 7.15035 -17.5245 -9.21997 -17.5245 -10.2772 70.7235 -9.22004 70.7235 -10.4523 GPRESSAVG: 4261600 7.42244 -16.8666 -8.64252 -17.8404 -10.0847 70.0678 -8.61129 73.2135 -11.1643 TIMING: 4261600 CPU: 13475.2, 0.00319574/step Wall: 13475.2, 0.00319574/step, 0.655481 hours remaining, 235.636719 MB of memory in use. ENERGY: 4261600 3962.7933 20550.9998 14523.8540 243.7662 -203856.0551 2793.7339 0.0000 0.0000 51966.1766 -109814.7315 298.6503 -161780.9080 -109458.8328 298.4757 38.4798 56.2042 759931.7795 -4.5264 -4.6089 PRESSURE: 4261800 11.3493 -91.236 47.4797 -91.2365 -172.941 126.656 47.4792 126.655 319.329 GPRESSURE: 4261800 65.8951 -0.962396 53.2353 -159.919 -166.991 102.912 -50.7592 12.6589 354.57 PRESSAVG: 4261800 35.9211 -47.9037 3.68225 -47.9037 -37.4623 37.8343 3.68226 37.8342 -3.03302 GPRESSAVG: 4261800 37.0723 -46.9238 4.41435 -48.88 -38.7704 37.9141 1.73079 34.7962 -2.23369 TIMING: 4261800 CPU: 13475.9, 0.00317189/step Wall: 13475.9, 0.00317189/step, 0.650413 hours remaining, 235.636719 MB of memory in use. ENERGY: 4261800 3914.5543 20404.0191 14459.0534 239.2212 -203479.6478 2447.2209 0.0000 0.0000 52287.9652 -109727.6137 300.4997 -162015.5789 -109353.2893 298.8595 52.5792 84.4913 761431.1362 -1.5247 -1.3106 PRESSURE: 4262000 37.6615 -21.2887 -51.5277 -21.289 -75.3738 -153.348 -51.5274 -153.347 -311.32 GPRESSURE: 4262000 102.186 -83.3332 -62.6586 15.9431 -37.349 -127.106 43.6613 -53.6171 -317.583 PRESSAVG: 4262000 -17.3312 -85.1145 16.0163 -85.1145 21.6602 0.530426 16.0163 0.530404 -4.21108 GPRESSAVG: 4262000 -17.5587 -85.8409 14.7837 -84.4141 21.4908 1.57274 16.2628 0.93168 -3.8613 TIMING: 4262000 CPU: 13476.5, 0.00319325/step Wall: 13476.5, 0.00319325/step, 0.654617 hours remaining, 235.636719 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: 4262000 4046.2137 20320.0872 14526.3518 239.2451 -203889.3891 2620.0171 0.0000 0.0000 52147.6780 -109989.7962 299.6934 -162137.4742 -109623.1621 298.7816 -116.3441 -84.2486 758879.1002 0.0393 0.0236 PRESSURE: 4262200 -8.05542 -24.9972 -180.488 -24.9965 5.85952 53.3797 -180.488 53.3793 29.0626 GPRESSURE: 4262200 -34.7676 41.9953 -232.7 -69.3026 75.4441 14.6884 -179.952 223.957 71.3315 PRESSAVG: 4262200 -12.2413 10.4579 40.9716 10.4579 -32.2824 -18.5392 40.9716 -18.5393 10.9497 GPRESSAVG: 4262200 -13.9428 11.2685 41.1135 11.4014 -31.0286 -18.8036 41.4955 -17.3756 11.1719 TIMING: 4262200 CPU: 13477.2, 0.00318411/step Wall: 13477.2, 0.00318411/step, 0.652566 hours remaining, 235.636719 MB of memory in use. ENERGY: 4262200 3956.3611 20698.8841 14443.3604 223.3872 -203762.2275 2506.9367 0.0000 0.0000 52032.7246 -109900.5734 299.0328 -161933.2980 -109549.2027 298.9583 8.9556 37.3360 760419.4959 -11.1913 -11.2665 PRESSURE: 4262400 -310.158 -117.521 83.8798 -117.52 51.9919 83.7445 83.8795 83.7437 -318.835 GPRESSURE: 4262400 -255.424 -94.9368 92.7312 -129.547 73.9192 56.803 141.466 16.7417 -300.69 PRESSAVG: 4262400 9.07178 -36.5727 20.1897 -36.5726 30.8268 12.0941 20.1897 12.0941 1.02853 GPRESSAVG: 4262400 11.3176 -36.9067 20.2094 -37.7815 29.3534 11.5959 19.5185 10.7545 -0.0122887 TIMING: 4262400 CPU: 13477.8, 0.00314759/step Wall: 13477.8, 0.00314759/step, 0.644905 hours remaining, 235.636719 MB of memory in use. ENERGY: 4262400 4020.3074 20535.3807 14381.3101 241.6137 -203945.5686 2577.0992 0.0000 0.0000 52094.7810 -110095.0765 299.3894 -162189.8575 -109729.8554 298.4687 -192.3339 -160.7317 758698.0039 13.6424 13.5529 PRESSURE: 4262600 -55.8023 -66.2773 172.25 -66.2767 4.29311 -49.9985 172.251 -49.9984 -119.235 GPRESSURE: 4262600 -103.043 -127.982 143.233 -78.9725 120.558 -37.5759 123.51 -100.335 -72.8303 PRESSAVG: 4262600 -2.94234 -93.6915 -5.32683 -93.6915 60.0014 -15.49 -5.32685 -15.4899 -12.9469 GPRESSAVG: 4262600 -4.05317 -92.1928 -4.95959 -93.7398 61.4164 -14.4787 -5.12477 -14.7895 -12.8511 TIMING: 4262600 CPU: 13478.4, 0.00316647/step Wall: 13478.4, 0.00316647/step, 0.648599 hours remaining, 235.636719 MB of memory in use. ENERGY: 4262600 4054.0115 20365.4435 14505.4196 248.1326 -203616.4395 2650.0222 0.0000 0.0000 51920.5013 -109872.9087 298.3878 -161793.4100 -109520.0116 298.1536 -56.9147 -18.4385 759771.7254 14.7040 14.8374 PRESSURE: 4262800 -174.585 112.612 156.512 112.612 221.8 -218.592 156.512 -218.592 -18.6464 GPRESSURE: 4262800 -149.033 126.318 123.237 150.73 212.142 -195.482 203.51 -236.072 41.6663 PRESSAVG: 4262800 -28.8393 41.6251 18.9988 41.6251 53.3233 36.6209 18.9987 36.621 24.1573 GPRESSAVG: 4262800 -29.8688 38.6033 17.31 42.9835 52.8981 36.5667 19.4101 35.8375 25.1711 TIMING: 4262800 CPU: 13479, 0.0031566/step Wall: 13479, 0.0031566/step, 0.646401 hours remaining, 235.636719 MB of memory in use. ENERGY: 4262800 3952.5774 20407.9806 14603.9344 250.5806 -203764.5446 2720.2886 0.0000 0.0000 51884.4334 -109944.7496 298.1806 -161829.1830 -109584.0821 298.2601 9.5229 34.9249 759290.9278 16.2138 16.0668 PRESSURE: 4263000 -281.448 -24.3387 18.6331 -24.3387 60.9924 -74.8601 18.633 -74.8609 468.074 GPRESSURE: 4263000 -243.421 -45.6675 103.928 86.8453 130.683 -111.587 41.4803 82.405 485.018 PRESSAVG: 4263000 -63.1174 -8.35227 37.0931 -8.35227 78.6556 -23.4721 37.0932 -23.4721 -5.1775 GPRESSAVG: 4263000 -63.6167 -7.71185 39.8955 -8.36287 78.9528 -23.5303 36.6282 -22.3491 -4.94074 TIMING: 4263000 CPU: 13479.7, 0.00318961/step Wall: 13479.7, 0.00318961/step, 0.652984 hours remaining, 235.636719 MB of memory in use. ENERGY: 4263000 3991.9333 20443.6714 14530.9369 241.7406 -203550.1126 2621.7681 0.0000 0.0000 51703.5249 -110016.5373 297.1409 -161720.0622 -109653.4624 298.7839 82.5397 124.0935 759933.5504 3.4536 3.4651 PRESSURE: 4263200 -24.8145 -26.3959 185.259 -26.3962 172.453 2.59064 185.258 2.59028 421.982 GPRESSURE: 4263200 34.0762 52.336 199.443 -34.4258 184.782 -48.804 187.3 2.35689 439.236 PRESSAVG: 4263200 -54.0621 42.0909 -12.0564 42.0909 57.7984 51.3107 -12.0564 51.3106 -18.2461 GPRESSAVG: 4263200 -53.1646 42.6731 -14.529 39.9751 57.5277 50.561 -12.1357 52.8619 -19.8308 TIMING: 4263200 CPU: 13480.3, 0.003201/step Wall: 13480.3, 0.003201/step, 0.655137 hours remaining, 235.636719 MB of memory in use. ENERGY: 4263200 3974.8640 20391.1462 14462.4555 232.3558 -203848.6797 2610.8461 0.0000 0.0000 51963.4852 -110213.5270 298.6349 -162177.0122 -109844.2603 298.3407 189.8734 219.3647 759338.9405 -4.8366 -5.1559 PRESSURE: 4263400 -82.5035 -37.7736 194.451 -37.7738 26.9899 -115.664 194.451 -115.664 -245.923 GPRESSURE: 4263400 -35.286 -36.0061 199.623 -55.4437 18.5026 -137.435 232.745 1.95195 -188.486 PRESSAVG: 4263400 -59.2074 8.93776 65.0208 8.93773 120.852 -0.308848 65.0208 -0.308874 -17.0641 GPRESSAVG: 4263400 -60.4224 8.39095 65.7895 10.5745 120.446 1.56658 64.1722 -2.95108 -15.6771 TIMING: 4263400 CPU: 13481, 0.00316848/step Wall: 13481, 0.00316848/step, 0.648306 hours remaining, 235.636719 MB of memory in use. ENERGY: 4263400 3980.3091 20633.4245 14490.9194 248.9462 -203989.0003 2572.6367 0.0000 0.0000 51915.7834 -110146.9811 298.3607 -162062.7645 -109784.6006 297.8228 -100.4788 -68.4232 759225.1240 14.8601 14.7821 PRESSURE: 4263600 -132.001 202.232 -131.035 202.232 -166.204 -174.755 -131.036 -174.757 -52.5333 GPRESSURE: 4263600 -125.027 155.727 -48.9932 175.963 -37.8911 -123.124 -144.658 -221.398 -103.342 PRESSAVG: 4263600 -54.1736 -24.0521 -31.8995 -24.0521 85.9141 21.0219 -31.8996 21.0218 -0.573961 GPRESSAVG: 4263600 -53.2669 -24.9571 -30.2314 -22.1167 86.2237 21.5817 -31.3842 22.1317 -1.78565 TIMING: 4263600 CPU: 13481.6, 0.00318736/step Wall: 13481.6, 0.00318735/step, 0.651991 hours remaining, 235.636719 MB of memory in use. ENERGY: 4263600 4044.8588 20488.6297 14444.5871 239.5290 -203668.2096 2561.8416 0.0000 0.0000 51750.4927 -110138.2706 297.4108 -161888.7633 -109778.7208 298.4136 -116.9128 -88.7535 760619.2146 10.3889 10.3904 PRESSURE: 4263800 -98.0596 177.525 78.2378 177.525 122.725 -140.069 78.2374 -140.07 16.0331 GPRESSURE: 4263800 -12.7298 155.012 112.958 210.515 138.252 -168.88 110.995 -185.31 -21.0565 PRESSAVG: 4263800 -45.3996 13.3637 -13.9716 13.3637 -23.1705 1.06048 -13.9716 1.06046 -3.4653 GPRESSAVG: 4263800 -45.6872 16.0014 -15.1296 11.5599 -22.8645 -0.706309 -14.8981 2.36462 -3.68284 TIMING: 4263800 CPU: 13482.2, 0.00317431/step Wall: 13482.2, 0.00317431/step, 0.649146 hours remaining, 235.636719 MB of memory in use. ENERGY: 4263800 4047.0283 20533.3070 14503.8400 247.2430 -203809.3286 2615.5036 0.0000 0.0000 51708.5639 -110153.8428 297.1698 -161862.4067 -109798.8503 297.7208 13.5661 34.8220 759685.9122 -24.0118 -24.0782 PRESSURE: 4264000 -154.489 -1.79543 78.1369 -1.79579 -476.925 -44.2916 78.137 -44.2925 60.9204 GPRESSURE: 4264000 -128.093 -39.2886 61.8643 -24.6117 -457.757 -23.135 78.6137 -179.121 96.1048 PRESSAVG: 4264000 3.34326 -11.0493 54.0477 -11.0493 -7.53737 -4.81047 54.0477 -4.81052 -7.57385 GPRESSAVG: 4264000 3.14997 -11.5314 54.4172 -11.0549 -7.62455 -4.23637 54.5128 -8.11599 -6.7436 TIMING: 4264000 CPU: 13482.9, 0.00316576/step Wall: 13482.9, 0.00316576/step, 0.647223 hours remaining, 235.636719 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: 4264000 3916.8776 20535.7561 14451.5888 223.1125 -203529.3195 2429.0888 0.0000 0.0000 51935.1821 -110037.7136 298.4722 -161972.8957 -109672.1779 298.1692 -190.1647 -163.2484 761540.9577 -3.9227 -3.7394 PRESSURE: 4264200 481.291 -51.332 295.917 -51.3329 25.897 215.152 295.916 215.153 176.209 GPRESSURE: 4264200 442.051 -105.044 227.656 -84.9639 86.6844 176.78 201.177 252.469 250.328 PRESSAVG: 4264200 -15.4575 -14.1986 2.9319 -14.1986 6.85399 48.6364 2.93191 48.6364 -8.32824 GPRESSAVG: 4264200 -17.1944 -15.4305 2.46043 -12.9174 7.2058 48.9511 4.14228 49.8362 -7.54477 TIMING: 4264200 CPU: 13483.5, 0.00316206/step Wall: 13483.5, 0.00316206/step, 0.64629 hours remaining, 235.636719 MB of memory in use. ENERGY: 4264200 4003.9933 20335.1716 14502.7599 243.0274 -203950.0962 2924.6511 0.0000 0.0000 52023.9223 -109916.5706 298.9822 -161940.4929 -109556.4796 298.4528 227.7989 259.6878 759511.1664 -5.6439 -5.8445 LDB: ============= START OF LOAD BALANCING ============== 13496 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13496 LDB: =============== DONE WITH MIGRATION ================ 13496 LDB: ============= START OF LOAD BALANCING ============== 13496.4 LDB: Largest compute 7067 load 0.034888 is 17.8% of average load 0.195572 LDB: Average compute 0.004395 is 2.2% of average load 0.195572 LDB: TIME 13496.4 LOAD: AVG 0.195572 MAX 0.215413 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 13496.4 LOAD: AVG 0.195572 MAX 0.215413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: TIME 13496.4 LOAD: AVG 0.195572 MAX 0.215413 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: ============== END OF LOAD BALANCING =============== 13496.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13496.4 PRESSURE: 4264400 248.405 -76.9099 -43.9713 -76.9106 287.468 19.3124 -43.9708 19.312 49.7573 GPRESSURE: 4264400 310.076 -5.27978 -47.798 -54.1682 272.185 -61.0896 11.5577 23.5662 86.589 PRESSAVG: 4264400 16.0751 -3.90572 31.5491 -3.90575 -2.10445 3.19085 31.5491 3.19088 -19.6331 GPRESSAVG: 4264400 17.6671 -2.1371 32.1093 -5.88731 -2.94636 2.05421 30.0967 4.88564 -19.7954 TIMING: 4264400 CPU: 13484.1, 0.00324271/step Wall: 13484.1, 0.00324271/step, 0.662595 hours remaining, 236.421875 MB of memory in use. ENERGY: 4264400 3942.1554 20304.0776 14484.2601 236.7780 -203733.5410 2669.6976 0.0000 0.0000 52064.9919 -110031.5803 299.2182 -162096.5722 -109666.3507 298.5164 195.2101 222.9498 759252.0796 -1.8875 -1.6915 PRESSURE: 4264600 221.24 58.613 -95.6012 58.6126 3.31038 -21.2093 -95.6012 -21.2093 402.324 GPRESSURE: 4264600 209.084 27.8894 -49.4876 125.048 71.8349 -135.35 -100.212 -54.3138 444.8 PRESSAVG: 4264600 12.2654 15.1504 26.507 15.1505 10.5257 28.5406 26.507 28.5406 21.1017 GPRESSAVG: 4264600 12.7468 12.8331 27.2726 16.7598 11.2484 28.4044 27.4616 27.5484 19.5345 TIMING: 4264600 CPU: 13484.8, 0.00318005/step Wall: 13484.8, 0.00318005/step, 0.649614 hours remaining, 236.664062 MB of memory in use. ENERGY: 4264600 3924.5711 20506.5423 14427.9055 228.6709 -203782.1417 2893.4499 0.0000 0.0000 51989.3847 -109811.6173 298.7837 -161801.0020 -109448.9521 298.4418 208.9582 241.9062 760037.6050 14.6309 14.5099 PRESSURE: 4264800 287.789 -74.8959 -2.01032 -74.8957 385.773 -28.326 -2.01026 -28.3257 325.477 GPRESSURE: 4264800 350.614 -16.8571 31.2564 -56.41 370.772 -75.677 18.7098 -34.0832 353.656 PRESSAVG: 4264800 29.566 -55.8037 11.9355 -55.8037 -9.47387 4.29458 11.9356 4.29448 -19.3102 GPRESSAVG: 4264800 28.5573 -53.9143 10.5435 -56.1207 -10.6891 5.84369 12.9093 5.079 -17.7597 TIMING: 4264800 CPU: 13485.4, 0.00318341/step Wall: 13485.4, 0.00318341/step, 0.650123 hours remaining, 236.867188 MB of memory in use. ENERGY: 4264800 3971.4484 20422.4485 14506.6844 232.7012 -203605.9889 2543.1450 0.0000 0.0000 52021.4116 -109908.1499 298.9678 -161929.5615 -109545.9652 298.8916 333.0129 358.3477 758312.0498 0.2607 0.0362 PRESSURE: 4265000 -4.48166 144.499 53.3691 144.499 25.2396 67.6857 53.369 67.6861 -43.897 GPRESSURE: 4265000 79.1486 190.314 87.4267 187.269 16.0946 59.9717 99.473 -3.62446 -34.9367 PRESSAVG: 4265000 63.4587 -36.2543 8.85078 -36.2542 -10.7935 -10.1989 8.85078 -10.199 13.6224 GPRESSAVG: 4265000 61.7397 -37.4256 8.16988 -34.6535 -9.61139 -10.1066 7.69206 -10.8717 13.7508 TIMING: 4265000 CPU: 13486.1, 0.00316009/step Wall: 13486.1, 0.00316009/step, 0.645186 hours remaining, 236.867188 MB of memory in use. ENERGY: 4265000 3953.3176 20671.1056 14571.0661 263.6676 -203212.7495 2319.4453 0.0000 0.0000 51680.3513 -109753.7960 297.0077 -161434.1473 -109395.7792 298.6621 -7.7130 20.1021 759128.6745 22.0959 21.9597 PRESSURE: 4265200 -254.655 74.621 -201.155 74.6214 236.153 2.44649 -201.155 2.44679 -438.353 GPRESSURE: 4265200 -164.985 132.634 -144.189 114.758 182.827 -50.9985 -293.04 111.788 -373.122 PRESSAVG: 4265200 -9.99002 28.246 32.9422 28.246 -1.50612 -33.0114 32.9422 -33.0114 0.129677 GPRESSAVG: 4265200 -7.86657 29.1613 35.8861 27.0956 -2.85247 -34.2344 30.6658 -32.7139 -1.06244 TIMING: 4265200 CPU: 13486.7, 0.00318323/step Wall: 13486.7, 0.00318323/step, 0.649733 hours remaining, 236.867188 MB of memory in use. ENERGY: 4265200 4020.2096 20217.1030 14440.7439 261.2547 -203726.4205 2567.9643 0.0000 0.0000 52356.8598 -109862.2851 300.8956 -162219.1449 -109491.7875 298.8040 -152.2850 -118.4268 759410.6350 -3.7888 -3.9272 PRESSURE: 4265400 201.819 -267.163 72.6938 -267.163 -94.1116 -216.731 72.6941 -216.73 -207.203 GPRESSURE: 4265400 261.982 -154.653 58.1972 -210.639 -58.4312 -193.103 163.063 -203.69 -185.129 PRESSAVG: 4265400 -40.3047 -18.1075 6.16558 -18.1075 24.9584 -8.59136 6.16555 -8.59134 -12.7801 GPRESSAVG: 4265400 -40.9184 -19.1179 3.58039 -16.7735 24.7421 -8.11415 9.5797 -9.39395 -11.9774 TIMING: 4265400 CPU: 13487.3, 0.00317281/step Wall: 13487.3, 0.00317281/step, 0.647429 hours remaining, 236.867188 MB of memory in use. ENERGY: 4265400 3958.3287 20564.0988 14474.2349 236.6653 -203472.7975 2504.6911 0.0000 0.0000 52060.7140 -109674.0648 299.1936 -161734.7788 -109311.1929 298.8459 -33.1652 6.1406 760469.3400 -9.3755 -9.3846 PRESSURE: 4265600 -181.62 -7.03823 -70.412 -7.03766 7.27776 -94.0261 -70.4115 -94.0264 246.358 GPRESSURE: 4265600 -84.959 -121.486 49.3275 -53.7059 93.0964 -71.6833 -18.7559 30.3191 147.835 PRESSAVG: 4265600 -14.5002 -12.4929 -17.0538 -12.4929 22.2233 22.5934 -17.0538 22.5933 17.4723 GPRESSAVG: 4265600 -15.5393 -11.5753 -13.8998 -14.3568 23.7379 21.8717 -17.6868 24.6567 16.685 TIMING: 4265600 CPU: 13488, 0.00318271/step Wall: 13488, 0.00318271/step, 0.649273 hours remaining, 236.867188 MB of memory in use. ENERGY: 4265600 3953.4174 20442.6242 14556.6344 232.6761 -203276.3473 2511.3310 0.0000 0.0000 51776.3299 -109803.3344 297.5593 -161579.6643 -109444.2597 298.6306 24.0050 51.9908 759799.7611 8.3985 8.2945 PRESSURE: 4265800 243.772 126.414 36.8697 126.414 263.241 209.126 36.8695 209.125 166.675 GPRESSURE: 4265800 349.541 136.909 -4.87356 53.5853 293.957 204.109 -41.7271 35.0801 117.858 PRESSAVG: 4265800 -5.16414 -15.5542 22.8757 -15.5543 36.6524 -16.9257 22.8757 -16.9256 -14.0794 GPRESSAVG: 4265800 -5.11779 -15.3094 20.2546 -15.5709 35.2842 -16.5709 21.4922 -18.6563 -12.7963 TIMING: 4265800 CPU: 13488.6, 0.00318288/step Wall: 13488.6, 0.00318288/step, 0.649131 hours remaining, 236.867188 MB of memory in use. ENERGY: 4265800 3970.0610 20334.0030 14483.7817 250.5275 -203869.8442 3071.1994 0.0000 0.0000 52031.1968 -109729.0748 299.0240 -161760.2716 -109366.3751 298.4005 224.5628 253.7854 760430.1085 5.8029 5.7900 PRESSURE: 4266000 -206.725 115.038 72.9312 115.038 -255.837 -47.925 72.9314 -47.9249 -44.8072 GPRESSURE: 4266000 -206.909 73.5025 85.3712 104.948 -175.544 -102.424 14.1899 -108.611 -69.9024 PRESSAVG: 4266000 -23.9907 -26.9359 16.0592 -26.9359 -0.435084 -29.8512 16.0592 -29.8512 5.97476 GPRESSAVG: 4266000 -24.8827 -27.1873 14.9558 -26.5566 1.71001 -30.5183 17.9804 -29.9033 5.01932 TIMING: 4266000 CPU: 13489.2, 0.00319639/step Wall: 13489.2, 0.00319639/step, 0.651708 hours remaining, 236.867188 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: 4266000 3932.8184 20386.6853 14439.7794 253.8533 -203290.1828 2439.8104 0.0000 0.0000 52027.4103 -109809.8256 299.0022 -161837.2360 -109447.0993 298.5902 -169.1229 -150.7852 761297.4633 -6.1503 -6.0511 PRESSURE: 4266200 -186.035 67.096 146.967 67.0956 -410.815 -112.409 146.968 -112.408 205.188 GPRESSURE: 4266200 -132.117 133.638 133 40.559 -386.654 -72.1365 149.707 -180.781 206.501 PRESSAVG: 4266200 14.5091 -34.8207 1.80349 -34.8207 -14.9483 -14.8026 1.80355 -14.8026 0.427394 GPRESSAVG: 4266200 16.6497 -36.3439 3.83256 -33.9605 -16.9157 -12.6192 0.60143 -15.8077 0.904763 TIMING: 4266200 CPU: 13489.9, 0.00320234/step Wall: 13489.9, 0.00320234/step, 0.652744 hours remaining, 236.867188 MB of memory in use. ENERGY: 4266200 3920.4214 20310.0314 14449.9694 241.5285 -202774.8043 2264.4453 0.0000 0.0000 51743.7586 -109844.6496 297.3721 -161588.4082 -109472.5695 298.5210 -130.5539 -104.0899 761419.4036 -0.0039 0.2129 PRESSURE: 4266400 9.61675 171.329 -10.4959 171.329 65.6524 -102.485 -10.4964 -102.486 -416.801 GPRESSURE: 4266400 66.4533 83.1367 97.3102 132.823 94.1641 -30.205 -37.3766 -125.743 -420.592 PRESSAVG: 4266400 39.748 -15.4689 5.28132 -15.4689 5.3443 -13.5155 5.28126 -13.5155 -13.0287 GPRESSAVG: 4266400 38.4376 -13.155 5.77484 -17.3866 6.05849 -14.1776 5.27057 -13.3073 -12.4553 TIMING: 4266400 CPU: 13490.5, 0.00317513/step Wall: 13490.5, 0.00317513/step, 0.647022 hours remaining, 236.867188 MB of memory in use. ENERGY: 4266400 4015.0572 20406.8316 14497.4451 252.4585 -203448.1244 2486.9480 0.0000 0.0000 51980.1272 -109809.2568 298.7305 -161789.3840 -109449.1244 298.2281 -113.8441 -86.6580 758878.4645 10.6879 10.6803 PRESSURE: 4266600 -134.818 -71.688 12.9322 -71.6886 -261.183 74.7894 12.9317 74.7889 -126.845 GPRESSURE: 4266600 -100.526 -64.5877 -82.7856 132.887 -264.173 -0.138505 251.852 102.249 -66.4222 PRESSAVG: 4266600 21.8738 10.5262 21.663 10.5263 -20.3698 -61.7118 21.6629 -61.7118 -5.535 GPRESSAVG: 4266600 22.3335 8.41484 20.6765 12.7802 -19.9963 -61.9092 22.0461 -60.7858 -6.25106 TIMING: 4266600 CPU: 13491.1, 0.00318027/step Wall: 13491.1, 0.00318027/step, 0.647892 hours remaining, 236.867188 MB of memory in use. ENERGY: 4266600 3975.8452 20405.7783 14548.8461 225.6276 -202954.5123 2397.6544 0.0000 0.0000 51845.3705 -109555.3902 297.9561 -161400.7607 -109192.0173 298.8050 -174.2817 -143.7071 761079.9782 -1.3437 -1.3046 PRESSURE: 4266800 -84.5432 -163.08 4.78806 -163.08 -147.755 -59.7275 4.78831 -59.7269 -341.837 GPRESSURE: 4266800 33.0458 -175.366 -63.7506 -135.684 -221.884 -71.3766 70.4632 39.0721 -300.629 PRESSAVG: 4266800 16.6575 6.97619 -19.4142 6.97619 5.03512 12.6463 -19.4142 12.6462 -11.1379 GPRESSAVG: 4266800 15.5784 6.16263 -19.725 6.33188 5.29503 13.9982 -19.5368 11.5008 -9.86231 TIMING: 4266800 CPU: 13491.8, 0.00318035/step Wall: 13491.8, 0.00318035/step, 0.647732 hours remaining, 236.867188 MB of memory in use. ENERGY: 4266800 4017.2646 20309.4133 14390.1080 247.4146 -202732.1947 2374.7719 0.0000 0.0000 51806.3236 -109586.8986 297.7317 -161393.2221 -109234.8752 298.8016 -191.3784 -163.1559 762525.8369 3.5183 3.6704 PRESSURE: 4267000 60.5919 -24.0332 -246.81 -24.0334 127.35 23.2363 -246.81 23.2369 5.89816 GPRESSURE: 4267000 121.045 40.3496 -227.546 29.6733 141.874 11.043 -210.057 -47.8046 1.4244 PRESSAVG: 4267000 27.07 47.322 19.6495 47.3219 17.5173 -33.8539 19.6494 -33.8539 -1.60595 GPRESSAVG: 4267000 27.3387 49.5989 18.6258 45.8173 17.5158 -34.4698 19.5487 -31.4779 -2.06323 TIMING: 4267000 CPU: 13492.4, 0.00318697/step Wall: 13492.4, 0.00318698/step, 0.648904 hours remaining, 236.867188 MB of memory in use. ENERGY: 4267000 3942.6135 20358.2745 14469.3851 258.1938 -203247.7122 2467.6448 0.0000 0.0000 52100.1004 -109651.5001 299.4200 -161751.6004 -109285.3033 299.0131 64.6132 88.1143 762993.4604 14.3271 14.2638 PRESSURE: 4267200 -183.562 174.179 -124.506 174.179 62.9497 -73.3033 -124.506 -73.3032 448.239 GPRESSURE: 4267200 -186.135 78.9844 -26.7629 186.558 112.116 -193.167 -198.847 -33.1483 482.086 PRESSAVG: 4267200 -26.0631 7.16914 -3.49637 7.16913 -7.02984 -11.0286 -3.49641 -11.0286 -13.8222 GPRESSAVG: 4267200 -25.4689 4.33234 -2.44384 9.285 -7.7238 -11.5497 -1.95606 -14.5106 -14.3399 TIMING: 4267200 CPU: 13493.1, 0.00315406/step Wall: 13493.1, 0.00315406/step, 0.642026 hours remaining, 236.867188 MB of memory in use. ENERGY: 4267200 3944.7423 20438.3226 14483.6729 252.2471 -203331.5782 2492.8314 0.0000 0.0000 51908.7268 -109811.0351 298.3202 -161719.7619 -109459.6941 298.5691 109.2091 136.0223 760497.2977 -15.6384 -15.8442 PRESSURE: 4267400 -330.37 -78.1848 -1.78115 -78.185 -21.5036 -22.1303 -1.78088 -22.1296 -196.445 GPRESSURE: 4267400 -244.368 -134.436 9.13206 -176.69 16.6162 -16.4013 -5.63776 28.1127 -213.047 PRESSAVG: 4267400 -17.3338 43.0458 -32.6839 43.0458 21.5154 28.5903 -32.6839 28.5902 10.1196 GPRESSAVG: 4267400 -18.5346 43.4225 -34.6064 42.1579 22.0271 29.3798 -33.1712 30.2779 11.218 TIMING: 4267400 CPU: 13493.7, 0.00316544/step Wall: 13493.7, 0.00316544/step, 0.644168 hours remaining, 236.867188 MB of memory in use. ENERGY: 4267400 3992.9978 20355.0059 14392.2537 259.5505 -203385.7051 2552.9371 0.0000 0.0000 51920.5247 -109912.4356 298.3880 -161832.9603 -109554.7883 298.6656 -182.7730 -146.9328 762035.2674 4.7671 4.9035 PRESSURE: 4267600 -227.34 -34.44 120.871 -34.4412 89.1604 31.2434 120.87 31.244 -443.915 GPRESSURE: 4267600 -191.12 -39.1741 188.329 0.00102919 -3.92241 49.9451 130.337 -101.151 -292.157 PRESSAVG: 4267600 -50.6656 13.3067 27.3434 13.3067 10.2887 63.767 27.3434 63.767 -19.22 GPRESSAVG: 4267600 -50.0298 14.5858 28.0391 12 9.6517 63.0979 26.9926 61.7119 -18.8677 TIMING: 4267600 CPU: 13494.3, 0.00319338/step Wall: 13494.3, 0.00319338/step, 0.649676 hours remaining, 236.867188 MB of memory in use. ENERGY: 4267600 3941.8017 20547.1056 14464.5153 228.1793 -202836.0858 2178.9783 0.0000 0.0000 51855.7100 -109619.7956 298.0155 -161475.5056 -109266.7535 298.2001 -194.0317 -162.3999 760130.2545 -19.8656 -19.7486 PRESSURE: 4267800 -49.6751 -23.8176 -54.3117 -23.8175 262.304 13.782 -54.312 13.7833 4.7439 GPRESSURE: 4267800 67.1166 85.6409 -31.4071 51.2488 208.138 18.6551 -68.7508 4.22726 14.9382 PRESSAVG: 4267800 22.8556 -6.31855 -27.3468 -6.3186 -15.0093 1.59321 -27.3468 1.59321 12.3675 GPRESSAVG: 4267800 24.7509 -6.94686 -26.8188 -4.68586 -15.3799 0.268827 -26.9836 2.28785 10.7184 TIMING: 4267800 CPU: 13495, 0.00317736/step Wall: 13495, 0.00317736/step, 0.646239 hours remaining, 236.867188 MB of memory in use. ENERGY: 4267800 3995.8975 20593.7842 14518.9539 241.3207 -203624.3924 2638.6801 0.0000 0.0000 52173.3112 -109462.4448 299.8407 -161635.7561 -109102.2540 298.9336 72.4576 96.7309 759956.6740 6.7379 6.6965 PRESSURE: 4268000 -53.1616 19.6913 -186.504 19.691 -145.191 1.47161 -186.504 1.47203 -361.833 GPRESSURE: 4268000 -146.461 106.817 -118.863 28.8643 -41.8166 -1.91182 -33.0943 64.1885 -294.88 PRESSAVG: 4268000 -7.8339 3.85614 24.0566 3.85619 26.7237 4.71754 24.0565 4.71749 4.87743 GPRESSAVG: 4268000 -8.48617 3.0279 24.5266 3.20659 26.8551 6.56396 22.0801 5.69467 5.21835 TIMING: 4268000 CPU: 13495.6, 0.00317162/step Wall: 13495.6, 0.00317162/step, 0.644896 hours remaining, 236.867188 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: 4268000 3916.0729 20613.7558 14426.5596 233.8778 -203101.6367 2434.1239 0.0000 0.0000 52140.3324 -109336.9144 299.6512 -161477.2468 -108972.4072 299.5711 -186.7285 -161.0524 761598.9119 7.9224 7.8624 PRESSURE: 4268200 -14.8827 -18.4561 144.585 -18.4564 116.404 -18.4714 144.584 -18.4726 -202.332 GPRESSURE: 4268200 31.2933 7.747 155.042 75.5285 113.299 -14.15 9.44419 -104.991 -150.689 PRESSAVG: 4268200 -17.9387 -55.2083 18.9953 -55.2082 15.1127 -30.5916 18.9953 -30.5916 6.16791 GPRESSAVG: 4268200 -19.0673 -55.3693 18.3819 -55.6224 15.2366 -32.5076 18.3386 -28.0042 7.35625 TIMING: 4268200 CPU: 13496.2, 0.00317937/step Wall: 13496.2, 0.00317937/step, 0.646296 hours remaining, 236.867188 MB of memory in use. ENERGY: 4268200 3933.7365 20518.8551 14547.4641 250.4873 -203103.4379 2274.5378 0.0000 0.0000 51990.2160 -109588.1411 298.7885 -161578.3571 -109221.7744 299.4657 -33.6037 -2.0322 761219.7923 1.1140 1.1752 LDB: ============= START OF LOAD BALANCING ============== 13508.8 LDB: ============== END OF LOAD BALANCING =============== 13508.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13508.8 LDB: ============= START OF LOAD BALANCING ============== 13509.1 LDB: Largest compute 7057 load 0.035526 is 18.2% of average load 0.195529 LDB: Average compute 0.004395 is 2.2% of average load 0.195529 LDB: TIME 13509.1 LOAD: AVG 0.195529 MAX 0.219605 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 13509.1 LOAD: AVG 0.195529 MAX 0.219605 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.484 MB LDB: TIME 13509.1 LOAD: AVG 0.195529 MAX 0.216364 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.484 MB LDB: ============== END OF LOAD BALANCING =============== 13509.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13509.1 PRESSURE: 4268400 -164.947 68.9131 162.548 68.9134 390.819 200.618 162.547 200.617 -36.433 GPRESSURE: 4268400 -113.943 75.082 154.763 110.639 434.789 178.859 105.155 127.341 -22.8506 PRESSAVG: 4268400 -28.8473 -1.96462 84.3034 -1.9646 2.75553 -6.51754 84.3034 -6.51754 7.49372 GPRESSAVG: 4268400 -28.9063 -2.01092 85.5717 -1.55507 4.11049 -5.80997 85.3365 -8.88219 6.08615 TIMING: 4268400 CPU: 13496.9, 0.0032529/step Wall: 13496.9, 0.0032529/step, 0.661062 hours remaining, 236.933594 MB of memory in use. ENERGY: 4268400 3979.8058 20364.4631 14508.2132 263.0548 -203436.8445 2528.3229 0.0000 0.0000 52100.3949 -109692.5898 299.4217 -161792.9847 -109323.8963 299.0103 63.1462 99.3316 759683.9365 -6.1994 -6.2366 PRESSURE: 4268600 -61.5642 -78.758 -52.9838 -78.757 -136.599 148.259 -52.9837 148.26 101.395 GPRESSURE: 4268600 -67.6528 -15.501 -116.024 76.2472 -25.4891 174.277 7.62134 42.7361 98.4508 PRESSAVG: 4268600 -27.104 23.58 70.0533 23.58 48.2786 10.2643 70.0533 10.2643 -7.47135 GPRESSAVG: 4268600 -26.2977 22.964 67.841 25.3243 47.3744 10.1491 69.2978 9.07482 -7.44536 TIMING: 4268600 CPU: 13497.5, 0.00317441/step Wall: 13497.5, 0.00317441/step, 0.644934 hours remaining, 237.003906 MB of memory in use. ENERGY: 4268600 4049.8637 20499.5040 14486.3319 242.4737 -203215.4034 2453.0489 0.0000 0.0000 51974.1780 -109510.0032 298.6963 -161484.1811 -109144.8377 299.0437 -32.2561 1.7696 760637.6694 4.5677 4.5438 PRESSURE: 4268800 -2.77818 -132.926 107.533 -132.926 -433.433 -33.7387 107.533 -33.74 255.635 GPRESSURE: 4268800 84.0864 -8.70943 39.9547 -71.0766 -398.527 0.118909 79.1262 76.4221 215.422 PRESSAVG: 4268800 34.594 3.65354 17.3193 3.65361 9.38078 -20.7605 17.3193 -20.7605 -3.4646 GPRESSAVG: 4268800 35.4693 5.9113 18.518 1.82101 9.5007 -19.7172 16.5729 -21.1229 -4.88539 TIMING: 4268800 CPU: 13498.1, 0.00318038/step Wall: 13498.1, 0.00318038/step, 0.64597 hours remaining, 237.003906 MB of memory in use. ENERGY: 4268800 3911.4827 20449.7932 14500.7967 235.3714 -202913.7837 2422.7763 0.0000 0.0000 51990.6212 -109402.9422 298.7908 -161393.5634 -109035.5369 299.1968 -60.1920 -33.0064 761828.8413 13.5034 13.3615 PRESSURE: 4269000 -412.223 34.3003 159.507 34.3001 -435.34 107.001 159.508 107.001 -294.322 GPRESSURE: 4269000 -405.425 72.7941 115.123 65.3257 -374.795 144.355 118.029 260.131 -278.675 PRESSAVG: 4269000 12.6549 53.4274 40.8084 53.4274 -45.3706 -35.1927 40.8084 -35.1927 23.5813 GPRESSAVG: 4269000 12.1501 51.0577 39.2708 55.6467 -45.8162 -36.5967 43.6491 -32.3849 24.6681 TIMING: 4269000 CPU: 13498.8, 0.00319142/step Wall: 13498.8, 0.00319142/step, 0.648035 hours remaining, 237.003906 MB of memory in use. ENERGY: 4269000 3997.4727 20482.9508 14457.5845 248.0923 -203341.1252 2513.6485 0.0000 0.0000 52136.2232 -109505.1532 299.6276 -161641.3764 -109138.1650 298.6753 -380.6286 -352.9650 762938.5774 -3.0448 -2.9993 PRESSURE: 4269200 -64.0446 -77.6292 120.48 -77.6298 -102.982 -141.605 120.48 -141.604 171.687 GPRESSURE: 4269200 30.2811 -162.42 186.791 -55.5947 -142.069 13.9448 166.46 -141.695 196.395 PRESSAVG: 4269200 -58.665 -19.8093 93.5356 -19.8094 41.4571 -7.99579 93.5356 -7.99574 -23.5594 GPRESSAVG: 4269200 -59.763 -19.3956 95.0554 -22.9724 42.0309 -6.15727 91.9568 -9.19251 -22.8606 TIMING: 4269200 CPU: 13499.4, 0.0031717/step Wall: 13499.4, 0.0031717/step, 0.643856 hours remaining, 237.003906 MB of memory in use. ENERGY: 4269200 3988.7421 20466.9405 14531.5284 242.6257 -203371.9324 2717.9229 0.0000 0.0000 51933.4783 -109490.6944 298.4624 -161424.1728 -109131.4495 298.9214 1.5533 28.2021 763648.5534 -13.5891 -13.5309 PRESSURE: 4269400 -34.067 221.336 -17.1979 221.336 23.1891 -75.002 -17.1982 -75.0021 -106.113 GPRESSURE: 4269400 -93.9362 194.978 -69.2565 216.581 117.692 -69.9596 -0.0394951 76.3665 -68.1205 PRESSAVG: 4269400 -31.7144 -36.6122 10.6363 -36.6122 44.6705 -2.1077 10.6363 -2.10775 31.2418 GPRESSAVG: 4269400 -31.4654 -37.2328 10.0266 -36.0726 44.1731 -2.80454 9.92841 -1.88618 30.5528 TIMING: 4269400 CPU: 13500.1, 0.00319161/step Wall: 13500.1, 0.00319161/step, 0.647719 hours remaining, 237.003906 MB of memory in use. ENERGY: 4269400 3937.8030 20596.7888 14546.9383 246.7503 -203486.7554 2720.5076 0.0000 0.0000 51861.2928 -109576.6747 298.0476 -161437.9675 -109216.2546 298.8934 -38.9968 -14.7884 762348.3356 14.7327 14.4202 PRESSURE: 4269600 128.668 -50.8216 280.049 -50.8214 261.966 -130.432 280.049 -130.432 -58.8501 GPRESSURE: 4269600 102.256 22.5623 312.509 -49.5107 258.846 -133.907 234.767 -52.307 50.8744 PRESSAVG: 4269600 -77.223 -2.65083 -16.0491 -2.65082 62.0276 -8.0136 -16.0491 -8.0136 -2.46171 GPRESSAVG: 4269600 -76.396 -2.48141 -13.9602 -3.11318 60.5521 -9.62726 -17.1778 -6.88098 -1.988 TIMING: 4269600 CPU: 13500.7, 0.00317771/step Wall: 13500.7, 0.00317771/step, 0.644723 hours remaining, 237.003906 MB of memory in use. ENERGY: 4269600 4040.7863 20612.4145 14532.8228 250.3670 -203691.1708 2874.5040 0.0000 0.0000 52018.4323 -109361.8440 298.9506 -161380.2763 -109005.3921 299.2859 110.5944 137.3255 760889.5276 -5.8857 -5.9440 PRESSURE: 4269800 121.678 129.873 200.906 129.873 -9.6636 -86.4042 200.905 -86.4051 208.396 GPRESSURE: 4269800 102.303 122.532 188.464 152.222 78.8968 -81.0828 179.709 -132.398 216.114 PRESSAVG: 4269800 -15.0085 -11.4726 5.45332 -11.4726 27.2374 -15.0069 5.45328 -15.0069 4.68277 GPRESSAVG: 4269800 -15.2458 -8.97025 3.68273 -12.5067 27.8859 -14.4018 7.22348 -18.0992 3.92327 TIMING: 4269800 CPU: 13501.3, 0.00316553/step Wall: 13501.3, 0.00316553/step, 0.642075 hours remaining, 237.003906 MB of memory in use. ENERGY: 4269800 4005.8052 20639.0387 14495.1809 240.9005 -203875.0047 2833.3436 0.0000 0.0000 52016.4363 -109644.2996 298.9392 -161660.7359 -109282.2332 299.6573 106.8035 132.4380 761403.8771 5.6372 5.5211 PRESSURE: 4270000 -276.277 -16.1711 113.031 -16.1716 170.829 55.3373 113.032 55.3372 1.08783 GPRESSURE: 4270000 -239.771 57.8038 100.579 -101.901 244.334 46.2886 170.431 29.5154 -12.0757 PRESSAVG: 4270000 -20.7565 -14.0249 -27.9462 -14.025 57.3136 -38.7907 -27.9462 -38.7907 14.6234 GPRESSAVG: 4270000 -21.2363 -16.9505 -28.8896 -11.5287 57.2636 -37.166 -28.2728 -37.5806 15.8212 TIMING: 4270000 CPU: 13502, 0.00318653/step Wall: 13502, 0.00318653/step, 0.646157 hours remaining, 237.003906 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: 4270000 4066.3661 20609.7693 14447.8819 230.5137 -203500.7014 2775.0318 0.0000 0.0000 51798.4353 -109572.7033 297.6863 -161371.1386 -109218.8882 299.1917 -34.7867 -2.5042 763481.8313 17.0602 17.2828 PRESSURE: 4270200 -239.141 -21.6941 45.7738 -21.6933 132.492 125.094 45.7737 125.094 -144.209 GPRESSURE: 4270200 -125.511 -13.7231 -32.442 -66.9499 61.1665 110.989 134.681 39.514 -113.334 PRESSAVG: 4270200 14.6445 -47.5588 -6.51879 -47.5587 41.0909 -26.9634 -6.51881 -26.9634 -8.74304 GPRESSAVG: 4270200 15.1376 -44.6551 -6.11575 -51.0228 41.7259 -27.7446 -6.62031 -27.2217 -10.2698 TIMING: 4270200 CPU: 13502.6, 0.00318446/step Wall: 13502.6, 0.00318446/step, 0.64556 hours remaining, 237.003906 MB of memory in use. ENERGY: 4270200 4014.5267 20465.4030 14444.6399 242.2669 -203189.6002 2349.8069 0.0000 0.0000 52034.2250 -109638.7318 299.0414 -161672.9568 -109273.9980 298.9311 -83.6193 -59.2258 761312.7047 15.6641 15.5312 PRESSURE: 4270400 53.9507 341.854 -145.084 341.854 446.081 -42.1343 -145.084 -42.1337 313.622 GPRESSURE: 4270400 72.3561 220.695 -127.588 306.552 552.338 -85.1542 -140.945 -15.2711 281.865 PRESSAVG: 4270400 28.025 13.2901 -9.08246 13.29 31.8485 -48.6167 -9.0825 -48.6166 -20.2756 GPRESSAVG: 4270400 26.5474 11.511 -8.92558 16.7031 32.093 -50.2907 -10.3389 -47.1978 -19.4657 TIMING: 4270400 CPU: 13503.2, 0.00319031/step Wall: 13503.2, 0.00319031/step, 0.64657 hours remaining, 237.003906 MB of memory in use. ENERGY: 4270400 4013.2529 20352.9457 14507.7375 277.4880 -203435.1720 2598.6118 0.0000 0.0000 51919.9771 -109765.1589 298.3848 -161685.1361 -109399.6603 298.7044 271.2181 302.1862 760211.5734 13.1993 13.0582 PRESSURE: 4270600 289.418 -108.467 -93.5416 -108.467 122.651 -51.4889 -93.5413 -51.4884 402.465 GPRESSURE: 4270600 353.053 -65.6445 -99.6583 -158.616 124.427 44.0773 -99.9719 -41.1699 428.715 PRESSAVG: 4270600 -9.10754 -43.6019 22.4386 -43.6019 57.6333 -0.617974 22.4386 -0.617949 -10.7095 GPRESSAVG: 4270600 -9.21893 -43.9881 23.0846 -44.885 58.3708 1.5515 24.1753 -1.43268 -11.0072 TIMING: 4270600 CPU: 13503.9, 0.00316993/step Wall: 13503.9, 0.00316993/step, 0.642263 hours remaining, 237.003906 MB of memory in use. ENERGY: 4270600 3976.3851 20491.0197 14573.0545 246.7458 -203639.5927 2767.5325 0.0000 0.0000 51870.0357 -109714.8194 298.0978 -161584.8551 -109355.8615 298.8418 271.5113 302.0648 758345.3746 12.6054 12.7149 PRESSURE: 4270800 -187.989 -122.449 110.787 -122.449 -305.934 -16.7741 110.787 -16.7748 -226.139 GPRESSURE: 4270800 -121.433 -70.9356 125.009 -114.034 -302.444 -83.0904 54.2451 58.6281 -197.178 PRESSAVG: 4270800 25.4632 -2.76267 3.95566 -2.76263 -3.65032 21.6612 3.95571 21.6611 -3.08618 GPRESSAVG: 4270800 25.6 -1.9228 4.70595 -1.43157 -4.52047 20.846 4.45716 21.771 -2.84798 TIMING: 4270800 CPU: 13504.5, 0.00316935/step Wall: 13504.5, 0.00316935/step, 0.641969 hours remaining, 237.003906 MB of memory in use. ENERGY: 4270800 3918.5182 20322.3483 14532.4718 233.4993 -203292.0581 2411.9006 0.0000 0.0000 51980.7507 -109892.5691 298.7341 -161873.3199 -109519.0040 298.6049 -240.0206 -207.0180 759503.0558 6.2422 6.0772 PRESSURE: 4271000 -164.153 94.9048 171.928 94.904 219.309 144.173 171.928 144.172 329.385 GPRESSURE: 4271000 -141.719 210.467 53.8331 -40.3338 241.664 164.989 132.667 105.215 364.023 PRESSAVG: 4271000 -46.3392 34.0138 -39.6297 34.0138 29.0014 -39.0805 -39.6297 -39.0805 22.3194 GPRESSAVG: 4271000 -45.5552 33.5083 -42.6807 32.469 27.5039 -38.7076 -40.5966 -37.7507 22.8656 TIMING: 4271000 CPU: 13505.1, 0.00315643/step Wall: 13505.1, 0.00315643/step, 0.639177 hours remaining, 237.003906 MB of memory in use. ENERGY: 4271000 3907.1234 20403.1947 14490.2346 232.3372 -203187.4592 2383.0109 0.0000 0.0000 52161.1387 -109610.4197 299.7708 -161771.5584 -109245.6897 298.8844 128.1803 154.6561 759263.2479 1.6605 1.6048 PRESSURE: 4271200 -186.453 -43.326 -92.1387 -43.3256 -81.2098 86.8204 -92.1393 86.8188 -415.245 GPRESSURE: 4271200 -123.564 -71.1419 -108.265 -38.7405 -52.0557 62.3897 71.7338 101.227 -400.415 PRESSAVG: 4271200 19.2506 -48.9499 58.3335 -48.95 6.92757 11.1436 58.3335 11.1436 -2.63834 GPRESSAVG: 4271200 18.6138 -48.0743 59.7898 -48.9622 6.89 11.3191 57.3626 8.31626 -2.33995 TIMING: 4271200 CPU: 13505.8, 0.00316416/step Wall: 13505.8, 0.00316416/step, 0.640566 hours remaining, 237.003906 MB of memory in use. ENERGY: 4271200 4068.4992 20438.9408 14544.1449 258.2136 -203862.1691 2678.8498 0.0000 0.0000 52166.6404 -109706.8805 299.8024 -161873.5209 -109350.4992 298.9656 -227.6358 -192.0114 759507.1945 7.8466 7.7213 PRESSURE: 4271400 8.84772 -124.119 100.005 -124.118 -269.467 -38.3794 100.005 -38.3787 271.07 GPRESSURE: 4271400 50.9542 -86.8758 40.8101 -225.792 -278.276 22.6098 -46.6938 -21.9321 324.418 PRESSAVG: 4271400 40.1513 -41.7835 37.6753 -41.7835 -2.46352 -7.14745 37.6752 -7.14738 -1.9471 GPRESSAVG: 4271400 38.9494 -41.4221 39.0727 -41.7882 -0.884275 -7.00443 37.9504 -4.73457 -2.15399 TIMING: 4271400 CPU: 13506.4, 0.00316113/step Wall: 13506.4, 0.00316113/step, 0.639777 hours remaining, 237.003906 MB of memory in use. ENERGY: 4271400 3910.0053 20688.8446 14463.2707 246.8176 -203601.5081 2545.9226 0.0000 0.0000 52260.5176 -109486.1297 300.3419 -161746.6474 -109122.2323 299.0219 3.4836 32.3656 760949.4246 11.9136 11.9704 PRESSURE: 4271600 -319.184 -162.69 50.6145 -162.691 -350.15 -173.198 50.614 -173.197 -184.675 GPRESSURE: 4271600 -300.88 -194.17 -44.3705 -198.772 -330.751 -286.799 1.02528 -184.574 -143.153 PRESSAVG: 4271600 47.1863 -5.89938 -12.1198 -5.89932 -66.3382 41.1581 -12.1198 41.158 1.44074 GPRESSAVG: 4271600 48.1057 -6.49946 -13.2386 -4.49191 -67.8067 41.9338 -12.7554 40.3165 1.96338 TIMING: 4271600 CPU: 13507, 0.00316961/step Wall: 13507, 0.00316961/step, 0.641318 hours remaining, 237.003906 MB of memory in use. ENERGY: 4271600 3991.4293 20419.2791 14429.0134 232.9663 -202838.4531 1886.1314 0.0000 0.0000 52340.0338 -109539.5997 300.7989 -161879.6335 -109177.0509 299.9742 -284.6696 -258.2613 759491.2124 -5.9037 -5.9125 PRESSURE: 4271800 118.37 51.3114 -102.191 51.3109 -41.8619 177.454 -102.192 177.453 412.4 GPRESSURE: 4271800 157.686 121.133 -114.328 91.0056 26.582 183.975 -2.50213 167.172 398.662 PRESSAVG: 4271800 28.0416 -24.0817 -24.6736 -24.0816 -33.9267 87.263 -24.6737 87.263 -10.804 GPRESSAVG: 4271800 27.2676 -27.0162 -26.0826 -22.7729 -33.0748 86.8797 -22.4437 86.7154 -11.1634 TIMING: 4271800 CPU: 13507.7, 0.00315588/step Wall: 13507.7, 0.00315588/step, 0.638365 hours remaining, 237.003906 MB of memory in use. ENERGY: 4271800 3957.6922 20257.9410 14404.3258 257.3215 -203173.3078 2383.7775 0.0000 0.0000 52301.2435 -109611.0064 300.5760 -161912.2499 -109252.5672 298.9975 162.9695 194.3100 759542.7004 -5.5630 -5.6569 PRESSURE: 4272000 -59.7349 189.115 -12.9247 189.114 266.649 52.5347 -12.9246 52.5348 181.105 GPRESSURE: 4272000 1.89184 40.4721 -46.7539 78.2842 239.881 70.1516 -66.1452 191.116 236.726 PRESSAVG: 4272000 -34.8832 16.7246 30.1239 16.7247 23.5192 82.5863 30.1239 82.5862 -4.59752 GPRESSAVG: 4272000 -34.3063 18.8195 31.4702 15.2579 22.7709 83.2433 29.166 81.6704 -4.7718 TIMING: 4272000 CPU: 13508.3, 0.00318355/step Wall: 13508.3, 0.00318355/step, 0.643785 hours remaining, 237.003906 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: 4272000 3904.3293 20497.8079 14411.2071 253.0093 -203142.3433 2420.4867 0.0000 0.0000 52065.9833 -109589.5197 299.2239 -161655.5030 -109227.5328 298.4930 129.3399 159.4998 759946.8090 -5.3205 -5.4357 PRESSURE: 4272200 -174.988 -116.74 -70.8486 -116.74 -338.801 40.8904 -70.8468 40.8898 164.956 GPRESSURE: 4272200 -137.287 -41.7421 -5.26579 -75.4522 -344.312 7.19634 -58.4651 145.278 178.184 PRESSAVG: 4272200 -57.0203 4.11197 5.13964 4.11199 53.9584 33.5615 5.13968 33.5614 35.5178 GPRESSAVG: 4272200 -56.8981 4.18991 6.18091 3.30498 53.5364 34.2212 6.44214 34.9295 35.4162 TIMING: 4272200 CPU: 13508.9, 0.0031738/step Wall: 13508.9, 0.0031738/step, 0.641637 hours remaining, 237.003906 MB of memory in use. ENERGY: 4272200 3986.8146 20483.0933 14488.0489 270.1400 -202977.0402 2211.1686 0.0000 0.0000 51993.4076 -109544.3672 298.8068 -161537.7749 -109188.3197 299.0664 -116.2774 -101.1383 760727.0431 10.8186 10.6848 LDB: ============= START OF LOAD BALANCING ============== 13521.5 LDB: ============== END OF LOAD BALANCING =============== 13521.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521.5 LDB: ============= START OF LOAD BALANCING ============== 13521.8 LDB: Largest compute 7067 load 0.034623 is 17.7% of average load 0.195604 LDB: Average compute 0.004388 is 2.2% of average load 0.195604 LDB: TIME 13521.8 LOAD: AVG 0.195604 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.152 MB LDB: TIME 13521.8 LOAD: AVG 0.195604 MAX 0.21581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: TIME 13521.8 LOAD: AVG 0.195604 MAX 0.21581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: ============== END OF LOAD BALANCING =============== 13521.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13521.8 PRESSURE: 4272400 175.635 -76.1251 119.449 -76.1257 -26.1376 59.7787 119.449 59.7778 3.28684 GPRESSURE: 4272400 161.911 -42.2226 106.423 -46.1757 58.3946 84.6087 104.44 81.1528 3.54367 PRESSAVG: 4272400 14.191 -23.3445 1.55767 -23.3445 -23.5846 -2.70752 1.55771 -2.70742 -6.78539 GPRESSAVG: 4272400 13.872 -21.7875 1.50847 -22.5175 -23.1165 -3.99532 1.93461 -1.39976 -6.57089 TIMING: 4272400 CPU: 13509.6, 0.00323277/step Wall: 13509.6, 0.00323277/step, 0.653379 hours remaining, 236.222656 MB of memory in use. ENERGY: 4272400 3983.6359 20309.0026 14523.5191 227.7109 -203226.1104 2744.0294 0.0000 0.0000 52004.9192 -109433.2933 298.8730 -161438.2125 -109071.6395 299.4766 50.9280 74.6164 761558.4176 -5.3930 -5.2718 PRESSURE: 4272600 -127.389 -128.13 -242.074 -128.13 -122.784 -143.956 -242.075 -143.956 -133.159 GPRESSURE: 4272600 -111.367 -143.35 -266.232 -89.9845 -76.0182 -203.932 -227.088 -139.94 -99.1458 PRESSAVG: 4272600 -30.6639 -24.118 23.5802 -24.118 14.6417 35.6071 23.5803 35.6071 11.6043 GPRESSAVG: 4272600 -30.0804 -22.9636 22.1622 -23.3841 14.8992 34.23 23.1286 33.5469 10.6716 TIMING: 4272600 CPU: 13510.2, 0.00318358/step Wall: 13510.2, 0.00318358/step, 0.64326 hours remaining, 236.535156 MB of memory in use. ENERGY: 4272600 3996.5309 20540.2533 14444.1784 261.8448 -202873.2331 2323.6847 0.0000 0.0000 52134.4591 -109172.2820 299.6175 -161306.7410 -108801.0197 299.3396 -127.7773 -95.5104 760851.8211 -1.4727 -1.5032 PRESSURE: 4272800 -109.228 -213.514 29.1135 -213.513 -13.6068 86.7096 29.114 86.7104 -215.295 GPRESSURE: 4272800 -63.7177 -97.1183 86.4697 -195.838 37.0891 161.923 138.859 183.028 -229.263 PRESSAVG: 4272800 15.8441 -28.5252 49.1441 -28.5251 20.6232 31.1155 49.1441 31.1155 2.58505 GPRESSAVG: 4272800 16.0579 -30.5231 51.3947 -29.7624 20.0333 33.1845 46.4223 30.3169 3.06163 TIMING: 4272800 CPU: 13510.9, 0.00316643/step Wall: 13510.9, 0.00316643/step, 0.639619 hours remaining, 236.535156 MB of memory in use. ENERGY: 4272800 3943.5598 20565.6535 14440.0387 250.9273 -202951.4757 2467.2143 0.0000 0.0000 51971.1681 -109312.9139 298.6790 -161284.0820 -108951.5190 299.2214 -112.7100 -85.2973 761701.7466 13.0175 13.0510 PRESSURE: 4273000 -36.7842 -268.468 194.41 -268.467 414.18 207.08 194.411 207.08 384.023 GPRESSURE: 4273000 12.3787 -217.697 210.292 -306.101 449.852 225.393 55.7362 211.515 388.029 PRESSAVG: 4273000 -51.0238 -13.7372 69.2744 -13.7372 26.0446 46.7586 69.2744 46.7585 -11.4822 GPRESSAVG: 4273000 -51.6933 -12.3735 69.1079 -12.7677 26.7743 45.6602 68.3487 48.5425 -11.4833 TIMING: 4273000 CPU: 13511.5, 0.00317491/step Wall: 13511.5, 0.00317491/step, 0.641155 hours remaining, 236.601562 MB of memory in use. ENERGY: 4273000 4043.5505 20404.3475 14408.5228 259.7999 -203473.1118 2755.3917 0.0000 0.0000 52232.1102 -109369.3891 300.1787 -161601.4994 -109004.9078 299.6387 253.8061 283.4199 760749.3520 -12.1538 -12.1341 PRESSURE: 4273200 23.7052 25.6211 -56.7768 25.6209 -248.142 -31.5998 -56.7767 -31.6002 267.225 GPRESSURE: 4273200 65.8793 31.8749 -86.1602 191.823 -179.445 -94.9568 -20.6247 -51.4313 228.757 PRESSAVG: 4273200 -65.2562 3.71578 59.2819 3.71585 30.9134 13.0906 59.2819 13.0907 -6.62849 GPRESSAVG: 4273200 -65.0349 0.051971 57.371 4.40569 30.8829 13.782 63.6685 13.4404 -6.96817 TIMING: 4273200 CPU: 13512.1, 0.00317085/step Wall: 13512.1, 0.00317085/step, 0.640159 hours remaining, 236.601562 MB of memory in use. ENERGY: 4273200 4008.6799 20608.7491 14512.7265 224.5871 -203372.8500 2626.6145 0.0000 0.0000 51867.0039 -109524.4889 298.0804 -161391.4929 -109156.5925 298.8082 14.2627 38.3970 762501.3968 -13.6571 -13.7067 PRESSURE: 4273400 -70.0368 156.483 157.525 156.482 95.0122 143.211 157.525 143.212 -29.7411 GPRESSURE: 4273400 13.8575 230.597 131.662 151.298 95.1614 73.0324 201.235 130.172 -15.1081 PRESSAVG: 4273400 -16.3134 9.5224 46.3284 9.52234 4.3002 41.8919 46.3285 41.8919 26.9939 GPRESSAVG: 4273400 -15.9856 13.4942 47.6852 6.44548 2.9463 42.1281 44.071 41.3749 27.6259 TIMING: 4273400 CPU: 13512.8, 0.00319327/step Wall: 13512.8, 0.00319327/step, 0.644507 hours remaining, 236.601562 MB of memory in use. ENERGY: 4273400 3983.5227 20509.0705 14470.5942 242.4887 -203194.0268 2563.6059 0.0000 0.0000 51767.6663 -109657.0786 297.5095 -161424.7449 -109289.8480 298.8217 -1.5886 31.3036 762176.9476 4.9936 4.8622 PRESSURE: 4273600 -333.1 -122.713 -3.49774 -122.714 -192.571 134.101 -3.49801 134.101 -95.1268 GPRESSURE: 4273600 -328.624 -140.909 -2.40597 -180.551 -161.634 131.007 102.599 115.028 -37.8112 PRESSAVG: 4273600 -27.4834 -1.36923 -28.1255 -1.3692 22.7764 32.7461 -28.1255 32.746 -8.63247 GPRESSAVG: 4273600 -26.3571 -4.34282 -28.2331 0.673287 23.7454 32.5279 -28.7972 33.3935 -9.99204 TIMING: 4273600 CPU: 13513.4, 0.00318556/step Wall: 13513.4, 0.00318556/step, 0.642774 hours remaining, 236.601562 MB of memory in use. ENERGY: 4273600 3940.5368 20578.0265 14415.1121 231.8571 -203071.4371 2409.0667 0.0000 0.0000 51895.0030 -109601.8349 298.2413 -161496.8379 -109236.4861 299.0921 -206.9325 -176.0231 763022.0134 -4.4465 -4.2013 PRESSURE: 4273800 58.1688 354.132 -95.3682 354.132 -357.116 16.4003 -95.368 16.3995 207.459 GPRESSURE: 4273800 41.0642 321.15 6.43934 238.32 -301.622 -53.0031 -185.975 -59.287 264.264 PRESSAVG: 4273800 -14.7597 21.0059 33.8296 21.0058 22.4041 66.777 33.8297 66.777 -15.935 GPRESSAVG: 4273800 -15.361 22.2859 35.0436 20.3192 22.5867 65.7441 32.6918 65.9285 -15.5271 TIMING: 4273800 CPU: 13514, 0.00317197/step Wall: 13514, 0.00317197/step, 0.639856 hours remaining, 236.601562 MB of memory in use. ENERGY: 4273800 3881.1916 20624.3386 14410.0467 231.4311 -203203.7177 2562.0597 0.0000 0.0000 52005.7617 -109488.8882 298.8778 -161494.6500 -109128.7070 298.9248 -30.4960 1.2353 762860.6191 -2.7635 -2.7671 PRESSURE: 4274000 73.2719 36.0898 220.608 36.0896 100.082 113.476 220.607 113.475 56.5593 GPRESSURE: 4274000 101.903 68.4535 267.773 23.2013 136.655 37.7204 253.703 172.99 68.2803 PRESSAVG: 4274000 8.36233 2.04138 43.2753 2.04135 -24.9004 15.888 43.2753 15.888 -13.4923 GPRESSAVG: 4274000 6.85359 1.18924 43.6525 1.16188 -24.4171 16.1774 45.0631 15.3496 -12.7455 TIMING: 4274000 CPU: 13514.7, 0.00319502/step Wall: 13514.7, 0.00319502/step, 0.644329 hours remaining, 236.601562 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: 4274000 3980.3607 20492.1542 14411.4356 265.3282 -203536.9092 2929.9078 0.0000 0.0000 51968.8656 -109488.8571 298.6658 -161457.7227 -109132.7741 298.6933 76.6376 102.2794 762661.8332 -10.0101 -10.1030 PRESSURE: 4274200 -295.695 114.543 48.1742 114.543 -440.738 -33.7383 48.1741 -33.7385 -62.3896 GPRESSURE: 4274200 -347.453 214.064 10.9037 38.5546 -322.232 -13.4474 42.9004 -119.024 -37.5269 PRESSAVG: 4274200 6.45727 48.9513 54.1462 48.9513 -7.28625 38.9367 54.1462 38.9366 15.1728 GPRESSAVG: 4274200 7.66609 50.6621 55.4497 49.9413 -7.12859 39.1431 54.6903 41.1786 14.0786 TIMING: 4274200 CPU: 13515.3, 0.00319526/step Wall: 13515.3, 0.00319526/step, 0.644199 hours remaining, 236.601562 MB of memory in use. ENERGY: 4274200 3917.5917 20456.8374 14468.0687 265.6600 -203277.0563 2538.0745 0.0000 0.0000 51952.9477 -109677.8762 298.5743 -161630.8239 -109320.4909 298.2821 -266.2741 -235.7374 763349.8157 4.7813 4.8720 PRESSURE: 4274400 -84.7688 134.067 -172.487 134.066 335.182 176.207 -172.487 176.208 -263.467 GPRESSURE: 4274400 39.0188 113.517 -148.59 169.052 271.253 204.42 -155.118 122.079 -237.719 PRESSAVG: 4274400 -67.6008 -31.0973 -6.59618 -31.0974 47.7771 59.1697 -6.59619 59.1697 3.64335 GPRESSAVG: 4274400 -67.6821 -32.8529 -7.97417 -28.6847 47.9953 59.6405 -5.47402 55.0681 2.97615 TIMING: 4274400 CPU: 13516, 0.00318825/step Wall: 13516, 0.00318825/step, 0.642609 hours remaining, 236.601562 MB of memory in use. ENERGY: 4274400 3880.6294 20494.9631 14498.7201 246.9835 -203528.4927 2875.1753 0.0000 0.0000 52069.3320 -109462.6893 299.2432 -161532.0213 -109099.8518 299.0994 -4.3514 24.1844 761097.3699 -5.3935 -5.5702 PRESSURE: 4274600 144.798 220.991 29.2276 220.992 210.73 167.114 29.227 167.113 205.861 GPRESSURE: 4274600 147.05 152.71 -29.0942 217.209 197.312 147.229 -0.410602 228.835 306.265 PRESSAVG: 4274600 -30.7913 -48.5486 0.447288 -48.5486 13.5215 15.1966 0.447275 15.1966 1.0169 GPRESSAVG: 4274600 -30.7128 -47.9008 -1.14476 -50.4647 12.7588 15.298 0.354486 17.0737 1.7457 TIMING: 4274600 CPU: 13516.6, 0.00317821/step Wall: 13516.6, 0.00317821/step, 0.64041 hours remaining, 236.601562 MB of memory in use. ENERGY: 4274600 3886.1693 20463.7785 14483.8976 251.0789 -203349.5540 2648.5546 0.0000 0.0000 52027.2971 -109588.7779 299.0016 -161616.0750 -109223.8020 298.7354 187.1294 216.8756 762141.5830 -5.4176 -5.4028 PRESSURE: 4274800 -354.708 171.991 -246.126 171.99 -220.901 99.2639 -246.127 99.2635 101.357 GPRESSURE: 4274800 -263.657 94.4614 -251.182 104.562 -203.906 78.0465 -175.524 168.911 74.8484 PRESSAVG: 4274800 -57.9442 -53.1714 -29.2141 -53.1714 14.5424 -11.4574 -29.2141 -11.4575 -9.38679 GPRESSAVG: 4274800 -56.2619 -54.0349 -27.6728 -51.3486 14.3386 -10.6227 -31.5054 -8.48824 -10.9774 TIMING: 4274800 CPU: 13517.2, 0.00317402/step Wall: 13517.2, 0.00317402/step, 0.639389 hours remaining, 236.601562 MB of memory in use. ENERGY: 4274800 3983.8775 20461.4941 14476.2923 248.5695 -203316.9969 2643.8862 0.0000 0.0000 51992.7235 -109510.1538 298.8029 -161502.8773 -109146.6800 298.7340 -158.0840 -130.9050 761374.3430 -17.5962 -17.6336 PRESSURE: 4275000 462.719 64.0003 379.181 64.0006 123.227 -26.8052 379.181 -26.8054 337.59 GPRESSURE: 4275000 444.244 30.1945 349.501 47.2326 173.678 -55.8621 314.089 38.5476 378.767 PRESSAVG: 4275000 31.3034 -18.2558 -38.8849 -18.2557 6.33666 29.4475 -38.8849 29.4474 1.85123 GPRESSAVG: 4275000 29.4514 -16.7774 -40.04 -19.594 5.68486 29.9498 -36.6432 26.2742 4.29371 TIMING: 4275000 CPU: 13517.9, 0.00316081/step Wall: 13517.9, 0.00316081/step, 0.636551 hours remaining, 236.601562 MB of memory in use. ENERGY: 4275000 3940.7935 20509.4297 14484.1571 252.7493 -203832.0080 2999.0057 0.0000 0.0000 52203.8867 -109441.9860 300.0165 -161645.8727 -109078.2168 298.8779 307.8454 332.2296 760284.0559 13.1638 13.1433 PRESSURE: 4275200 -184.329 -297.867 18.8422 -297.868 -127.489 25.9503 18.8426 25.95 -98.8553 GPRESSURE: 4275200 -212.978 -350.827 22.0372 -221.661 -118.237 68.7547 -10.4258 28.4842 14.5522 PRESSAVG: 4275200 -23.7421 -20.6023 -20.0256 -20.6023 74.2444 31.7247 -20.0257 31.7247 -5.41755 GPRESSAVG: 4275200 -24.2245 -20.8094 -19.3196 -20.6913 74.9003 30.3499 -18.821 34.1915 -5.80533 TIMING: 4275200 CPU: 13518.5, 0.00319304/step Wall: 13518.5, 0.00319304/step, 0.642866 hours remaining, 236.601562 MB of memory in use. ENERGY: 4275200 3924.6671 20493.5357 14567.0177 255.4980 -203279.3975 2568.4184 0.0000 0.0000 51829.7820 -109640.4785 297.8665 -161470.2605 -109277.5266 298.9777 -136.8912 -105.5540 761385.0426 15.0282 14.9568 PRESSURE: 4275400 -458.516 -12.3876 -34.2699 -12.3891 305.701 368.364 -34.2708 368.366 -42.8977 GPRESSURE: 4275400 -387.768 15.5607 -102.398 -91.772 347.282 466.86 94.9249 307.744 -84.3111 PRESSAVG: 4275400 -18.6949 4.9042 2.68059 4.90418 34.6119 60.7644 2.6806 60.7645 22.2285 GPRESSAVG: 4275400 -18.5408 6.07959 1.43023 4.91315 35.5418 61.3951 2.55441 58.9906 20.9652 TIMING: 4275400 CPU: 13519.1, 0.00319693/step Wall: 13519.1, 0.00319693/step, 0.643472 hours remaining, 236.601562 MB of memory in use. ENERGY: 4275400 3935.9717 20455.1516 14516.7393 234.3109 -203027.3650 2403.4736 0.0000 0.0000 51736.1647 -109745.5531 297.3284 -161481.7179 -109378.6126 298.5188 -65.2376 -41.5992 762521.5349 12.7152 12.6554 PRESSURE: 4275600 -416.154 -0.507189 192.033 -0.507673 -255.792 -7.65783 192.032 -7.65672 -180.681 GPRESSURE: 4275600 -386.115 -7.84934 164.427 19.9588 -221.186 52.1941 105.779 -11.6223 -148.656 PRESSAVG: 4275600 -48.6754 -65.3967 49.3625 -65.3966 77.2445 58.8081 49.3625 58.8082 -15.7189 GPRESSAVG: 4275600 -48.9799 -67.016 50.9875 -62.7241 76.1988 58.6538 46.817 58.2553 -14.5616 TIMING: 4275600 CPU: 13519.8, 0.00319635/step Wall: 13519.8, 0.00319635/step, 0.643176 hours remaining, 236.601562 MB of memory in use. ENERGY: 4275600 3950.9171 20476.9987 14451.1088 249.3749 -203287.8501 2425.8386 0.0000 0.0000 51909.2535 -109824.3585 298.3232 -161733.6120 -109465.2721 297.9481 -284.2090 -251.9860 761798.5430 4.2834 4.2191 PRESSURE: 4275800 9.89805 3.92325 300.299 3.92275 -193.465 105.221 300.3 105.221 -132.372 GPRESSURE: 4275800 -13.7604 17.0658 211.943 142.21 -97.0661 11.1379 259.496 117.447 -104.234 PRESSAVG: 4275800 -15.5221 -22.7492 7.49755 -22.7493 -5.2626 -48.9231 7.49751 -48.9232 36.3494 GPRESSAVG: 4275800 -14.8959 -20.798 7.22654 -27.1352 -5.56222 -50.6121 7.26015 -48.2057 35.9495 TIMING: 4275800 CPU: 13520.4, 0.00317266/step Wall: 13520.4, 0.00317266/step, 0.638233 hours remaining, 236.601562 MB of memory in use. ENERGY: 4275800 4051.5492 20595.5512 14471.6202 226.5703 -203769.3043 2646.3978 0.0000 0.0000 51973.9077 -109803.7079 298.6948 -161777.6156 -109446.8792 298.4030 -105.3131 -71.6867 762004.6983 5.1882 5.1638 PRESSURE: 4276000 137.035 -129.35 -52.5022 -129.351 97.3596 -195.974 -52.5021 -195.974 115.36 GPRESSURE: 4276000 114.837 -191.365 40.6963 -80.0374 146.797 -216.08 -39.1876 -69.0806 176.796 PRESSAVG: 4276000 -2.32383 -12.1039 -23.918 -12.1039 38.3568 10.7014 -23.918 10.7015 -15.1828 GPRESSAVG: 4276000 -3.22054 -14.5617 -23.1655 -9.5449 38.6235 13.2463 -23.2749 9.24787 -14.7471 TIMING: 4276000 CPU: 13521, 0.00316772/step Wall: 13521, 0.00316772/step, 0.637064 hours remaining, 236.601562 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: 4276000 4031.2849 20426.4578 14448.3734 231.5280 -203735.0075 2756.7645 0.0000 0.0000 51893.8962 -109946.7028 298.2349 -161840.5990 -109589.3683 298.3664 116.5847 146.1431 759873.0388 6.9501 6.8853 PRESSURE: 4276200 -128.408 71.6117 71.2966 71.6113 51.6644 62.4681 71.2963 62.467 -164.296 GPRESSURE: 4276200 -37.5455 68.308 101.698 145.039 86.3216 -7.09466 77.9077 46.0379 -205.703 PRESSAVG: 4276200 -52.2293 -55.2952 -30.42 -55.2951 64.9511 -62.0142 -30.42 -62.0142 8.63121 GPRESSAVG: 4276200 -50.7564 -54.4043 -31.4255 -55.8879 64.6527 -62.5744 -31.0549 -62.3673 7.73754 TIMING: 4276200 CPU: 13521.7, 0.00318668/step Wall: 13521.7, 0.00318668/step, 0.6407 hours remaining, 236.601562 MB of memory in use. ENERGY: 4276200 4113.3499 20387.4718 14404.2796 244.5336 -203568.5938 2521.2833 0.0000 0.0000 51843.8817 -110053.7939 297.9475 -161897.6756 -109691.1856 297.9064 -80.3463 -52.3089 760181.9605 7.1177 7.2113 LDB: ============= START OF LOAD BALANCING ============== 13534.2 LDB: ============== END OF LOAD BALANCING =============== 13534.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13534.2 LDB: ============= START OF LOAD BALANCING ============== 13534.5 LDB: Largest compute 7045 load 0.035282 is 18.0% of average load 0.195490 LDB: Average compute 0.004394 is 2.2% of average load 0.195490 LDB: TIME 13534.5 LOAD: AVG 0.19549 MAX 0.213906 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.605 MB LDB: TIME 13534.5 LOAD: AVG 0.19549 MAX 0.213906 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: TIME 13534.5 LOAD: AVG 0.19549 MAX 0.213906 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.605 MB LDB: ============== END OF LOAD BALANCING =============== 13534.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13534.5 PRESSURE: 4276400 -211.752 -99.7082 -210.219 -99.7077 141.731 230.146 -210.219 230.146 -206.057 GPRESSURE: 4276400 -202.939 -105.524 -153.248 -113.656 214.001 198.111 -78.9796 288.525 -174.385 PRESSAVG: 4276400 -58.0862 -57.2871 -49.0977 -57.287 63.2898 -41.6463 -49.0976 -41.6463 -6.98277 GPRESSAVG: 4276400 -59.2029 -56.6535 -49.0505 -58.9568 62.3091 -41.3097 -48.1185 -39.6343 -4.82874 TIMING: 4276400 CPU: 13522.3, 0.00322341/step Wall: 13522.3, 0.00322341/step, 0.647905 hours remaining, 236.222656 MB of memory in use. ENERGY: 4276400 3991.9580 20324.7314 14531.7929 261.0343 -203768.1063 2598.8532 0.0000 0.0000 52006.4559 -110053.2804 298.8818 -162059.7363 -109682.2736 298.1143 -92.0262 -54.4410 760370.0608 -0.5931 -0.5742 PRESSURE: 4276600 181.019 -125.882 39.4285 -125.881 -36.2491 -217.067 39.4292 -217.067 -144.103 GPRESSURE: 4276600 260.718 6.26648 -17.4986 -86.9043 -42.6522 -206.244 70.5996 -173.939 -151.795 PRESSAVG: 4276600 -68.9805 -22.2023 15.1438 -22.2022 49.9959 57.9352 15.1438 57.9352 4.9891 GPRESSAVG: 4276600 -67.7142 -22.9405 14.6833 -21.4943 50.3535 57.0368 15.7515 56.6164 3.13673 TIMING: 4276600 CPU: 13523, 0.00318807/step Wall: 13523, 0.00318807/step, 0.640624 hours remaining, 236.605469 MB of memory in use. ENERGY: 4276600 3983.6093 20658.6171 14437.8911 253.9653 -203710.1347 2595.2348 0.0000 0.0000 51812.9592 -109967.8578 297.7698 -161780.8170 -109608.8594 298.3769 0.2224 22.0902 760427.1014 -4.6652 -4.7413 PRESSURE: 4276800 -172.365 10.1229 -150.704 10.1229 -217.913 -203.741 -150.704 -203.741 -215.203 GPRESSURE: 4276800 -203.178 16.7705 -202.394 26.5479 -197.412 -65.5244 -57.882 -221.517 -130.101 PRESSAVG: 4276800 -36.7093 -38.6493 51.3397 -38.6492 35.1468 -16.4073 51.3397 -16.4074 -8.6169 GPRESSAVG: 4276800 -38.2924 -39.1185 51.7615 -38.3826 35.6916 -14.2174 51.4309 -16.5653 -7.49071 TIMING: 4276800 CPU: 13523.6, 0.00320873/step Wall: 13523.6, 0.00320873/step, 0.644599 hours remaining, 236.605469 MB of memory in use. ENERGY: 4276800 3950.7442 20531.4325 14437.2724 232.9309 -203385.0862 2268.7579 0.0000 0.0000 51918.1889 -110045.7594 298.3745 -161963.9484 -109689.4935 298.1253 -201.8272 -176.8972 758494.8866 -3.3931 -3.3638 PRESSURE: 4277000 -389.218 31.5683 20.4445 31.5689 -150.709 29.7676 20.4443 29.7673 64.5539 GPRESSURE: 4277000 -340.185 -46.6369 84.5284 -87.5509 -47.4517 55.8111 33.9572 79.0908 -0.696988 PRESSAVG: 4277000 -94.3417 -78.792 -25.3438 -78.792 59.1392 56.5827 -25.3439 56.5828 -5.74322 GPRESSAVG: 4277000 -93.5933 -78.198 -25.1803 -79.0223 59.8765 55.0118 -27.3148 58.2831 -6.95043 TIMING: 4277000 CPU: 13524.2, 0.00317977/step Wall: 13524.2, 0.00317977/step, 0.638605 hours remaining, 236.605469 MB of memory in use. ENERGY: 4277000 3984.2784 20449.3881 14464.2795 222.1888 -203555.4801 2259.3708 0.0000 0.0000 51977.3322 -110198.6423 298.7144 -162175.9745 -109835.2381 298.2298 -158.4576 -129.4444 758635.1101 -13.6486 -13.5558 PRESSURE: 4277200 -314.817 152.416 -107.911 152.416 -57.893 378.06 -107.911 378.06 -248.716 GPRESSURE: 4277200 -325.12 143.61 -142.837 162.688 -26.3303 224.395 -54.6569 272.567 -199.827 PRESSAVG: 4277200 -30.1944 -1.46119 6.13987 -1.46113 28.7467 46.367 6.13986 46.367 7.55104 GPRESSAVG: 4277200 -29.9322 -3.80622 6.31009 0.165584 28.1682 46.2242 9.43834 46.1311 7.95097 TIMING: 4277200 CPU: 13524.9, 0.00318289/step Wall: 13524.9, 0.00318289/step, 0.639054 hours remaining, 236.605469 MB of memory in use. ENERGY: 4277200 3988.8134 20443.1808 14445.7860 261.7193 -203411.5843 2296.7179 0.0000 0.0000 51806.9182 -110168.4488 297.7351 -161975.3670 -109813.7728 298.2638 -207.1419 -183.7591 759673.2660 2.0344 2.0623 PRESSURE: 4277400 83.2665 -102.664 17.2957 -102.664 523.535 -67.0375 17.2965 -67.0378 75.7004 GPRESSURE: 4277400 105.26 -77.3747 -9.5083 -145.11 493.18 -3.28546 -90.0894 -115.709 165.044 PRESSAVG: 4277400 -77.2232 -51.7021 8.23227 -51.7021 78.0913 30.95 8.23232 30.9498 6.87846 GPRESSAVG: 4277400 -79.2901 -49.0948 6.76682 -52.8217 80.1416 31.8443 7.09505 29.5317 7.04719 TIMING: 4277400 CPU: 13525.5, 0.00316664/step Wall: 13525.5, 0.00316664/step, 0.635616 hours remaining, 236.574219 MB of memory in use. ENERGY: 4277400 3865.4103 20566.7624 14419.7170 249.7705 -204130.9346 2903.3723 0.0000 0.0000 52035.0396 -110090.8625 299.0461 -162125.9020 -109726.9072 297.9414 227.5007 254.4948 759745.4396 2.5822 2.6329 PRESSURE: 4277600 76.369 109.282 191.621 109.282 103.99 113.955 191.621 113.955 -4.47255 GPRESSURE: 4277600 131.204 65.7275 248.293 -88.3529 121.626 88.207 238.562 262.7 -3.53235 PRESSAVG: 4277600 -43.3043 -54.1128 12.8775 -54.1128 57.8975 25.1752 12.8776 25.1752 19.9884 GPRESSAVG: 4277600 -41.0999 -56.0307 12.5508 -54.7206 56.4733 25.3346 11.5134 25.8926 18.9612 TIMING: 4277600 CPU: 13526.1, 0.0032007/step Wall: 13526.1, 0.0032007/step, 0.642273 hours remaining, 236.574219 MB of memory in use. ENERGY: 4277600 3899.5181 20482.7984 14472.8823 246.7245 -203661.5710 2875.5551 0.0000 0.0000 51536.9712 -110147.1213 296.1837 -161684.0925 -109792.6496 298.0444 58.6289 83.0989 759708.8783 11.5272 11.4449 PRESSURE: 4277800 64.6573 -151.564 -129.086 -151.563 86.9834 122.718 -129.085 122.719 190.064 GPRESSURE: 4277800 111.671 -107.466 -104.25 -0.999088 136.875 130.107 94.6252 124.984 183.853 PRESSAVG: 4277800 6.02411 -3.63616 2.84684 -3.6362 34.5212 46.512 2.84685 46.5121 -11.6366 GPRESSAVG: 4277800 6.07199 -2.33194 4.18743 -3.64581 34.6072 45.5096 5.24359 46.7931 -11.9454 TIMING: 4277800 CPU: 13526.8, 0.00321519/step Wall: 13526.8, 0.00321519/step, 0.645002 hours remaining, 236.574219 MB of memory in use. ENERGY: 4277800 3896.3159 20528.1742 14562.2680 242.6235 -203529.6973 2574.5197 0.0000 0.0000 51848.7588 -109877.0371 297.9755 -161725.7960 -109524.6589 297.8582 113.9016 144.1330 760022.0810 9.6363 9.5780 PRESSURE: 4278000 -106.346 51.897 32.153 51.8977 48.6796 176.616 32.1534 176.616 61.2385 GPRESSURE: 4278000 -64.4012 37.8341 84.5399 -0.402959 107.678 199.644 -48.0439 245.822 43.6075 PRESSAVG: 4278000 34.9743 -3.25564 7.21812 -3.25563 9.01529 22.5033 7.21808 22.5034 10.7835 GPRESSAVG: 4278000 34.8012 0.103703 5.98086 -5.72076 8.09103 21.4904 6.4867 21.733 11.5457 TIMING: 4278000 CPU: 13527.4, 0.00318903/step Wall: 13527.4, 0.00318903/step, 0.639578 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: 4278000 3967.5522 20313.9936 14532.4152 246.5582 -203466.0005 2440.9748 0.0000 0.0000 51951.5619 -110012.9447 298.5663 -161964.5066 -109646.3347 298.2557 1.1908 28.9614 759567.5232 18.2577 18.1460 PRESSURE: 4278200 -64.7426 24.7547 -113.009 24.7542 82.2105 -159.86 -113.009 -159.861 -125.43 GPRESSURE: 4278200 -72.4123 117.85 -200.261 40.4058 129.266 -94.547 -146.371 -70.9286 -43.3499 PRESSAVG: 4278200 -20.3398 -33.0091 -32.8455 -33.0091 48.5328 -41.3856 -32.8455 -41.3857 12.092 GPRESSAVG: 4278200 -21.0264 -36.1869 -33.1534 -29.1407 48.7666 -40.7569 -34.0949 -41.0801 13.0275 TIMING: 4278200 CPU: 13528.1, 0.00317257/step Wall: 13528.1, 0.00317257/step, 0.636101 hours remaining, 236.574219 MB of memory in use. ENERGY: 4278200 4025.6756 20417.8254 14543.9000 252.3743 -203375.8598 2402.6849 0.0000 0.0000 51976.3914 -109757.0083 298.7090 -161733.3997 -109397.8595 298.6648 -35.9875 4.5014 757984.1101 13.4284 13.5892 PRESSURE: 4278400 -40.8989 -68.1655 -188.993 -68.165 188.953 159.812 -188.992 159.812 66.1092 GPRESSURE: 4278400 49.2139 -175.23 -137.02 -73.3315 203.671 76.5326 -79.6999 266.164 21.699 PRESSAVG: 4278400 -15.7937 -22.2738 52.304 -22.2739 33.1399 -1.29448 52.304 -1.29441 1.83997 GPRESSAVG: 4278400 -14.8719 -21.1119 52.6625 -24.0105 32.8006 -1.83723 53.3417 -3.07645 1.50229 TIMING: 4278400 CPU: 13528.7, 0.00317466/step Wall: 13528.7, 0.00317466/step, 0.636342 hours remaining, 236.574219 MB of memory in use. ENERGY: 4278400 3960.9107 20474.7357 14520.1703 244.7951 -203030.7065 2290.2819 0.0000 0.0000 51918.3982 -109621.4146 298.3757 -161539.8128 -109258.8561 298.5039 71.3878 91.5281 760614.7652 6.3954 6.4770 PRESSURE: 4278600 -64.9706 75.496 165.754 75.4954 -125.283 66.7755 165.755 66.7764 -354.642 GPRESSURE: 4278600 -113.665 151.394 132.045 4.35519 -112.795 116.244 56.6663 55.2846 -246.898 PRESSAVG: 4278600 18.5637 30.9992 -32.6404 30.9992 31.9559 55.5053 -32.6404 55.5054 6.31424 GPRESSAVG: 4278600 18.9554 29.5469 -32.7797 30.3452 32.5075 54.4171 -32.822 57.524 5.35143 TIMING: 4278600 CPU: 13529.3, 0.00319811/step Wall: 13529.3, 0.00319811/step, 0.640866 hours remaining, 236.589844 MB of memory in use. ENERGY: 4278600 4031.3091 20561.7051 14481.2136 256.1089 -203227.8023 2397.0997 0.0000 0.0000 52188.9551 -109311.4107 299.9306 -161500.3659 -108949.6121 299.3896 -181.6318 -157.7859 760304.0982 18.9446 18.9381 PRESSURE: 4278800 86.9133 152.122 90.4061 152.121 3.53907 106.489 90.4064 106.488 161.973 GPRESSURE: 4278800 149.532 101.982 -20.4861 98.3844 -21.2695 220.209 115.943 96.0637 214.366 PRESSAVG: 4278800 -6.31205 -0.111169 4.40754 -0.111121 -5.14673 45.3435 4.40752 45.3435 4.88161 GPRESSAVG: 4278800 -6.97572 0.211094 5.09309 2.34206 -4.65051 47.8122 4.14 43.0864 4.91529 TIMING: 4278800 CPU: 13530, 0.00318821/step Wall: 13530, 0.00318821/step, 0.638705 hours remaining, 236.589844 MB of memory in use. ENERGY: 4278800 4006.0374 20690.5799 14459.5723 245.7650 -202859.3196 2040.2103 0.0000 0.0000 51898.6295 -109518.5251 298.2621 -161417.1547 -109165.5255 299.8639 84.1418 114.2095 758983.0192 -2.1924 -2.2370 PRESSURE: 4279000 -144.271 243.87 41.5061 243.87 -153.261 -230.051 41.5066 -230.05 -489.183 GPRESSURE: 4279000 -30.8418 81.7294 88.2837 157.923 -131.777 -224.995 83.6128 -221.37 -515.663 PRESSAVG: 4279000 -10.4613 2.41964 -55.279 2.41965 -14.8488 4.75804 -55.2789 4.75816 3.48461 GPRESSAVG: 4279000 -9.89407 2.25467 -56.6118 1.00563 -16.2524 4.50031 -55.0416 6.33906 4.33383 TIMING: 4279000 CPU: 13530.6, 0.00317824/step Wall: 13530.6, 0.00317824/step, 0.636531 hours remaining, 236.589844 MB of memory in use. ENERGY: 4279000 4046.3502 20393.0438 14459.7169 243.7004 -203085.1346 2110.7752 0.0000 0.0000 52145.2320 -109686.3161 299.6794 -161831.5481 -109325.2031 299.7623 -262.2384 -226.0941 759713.0806 -7.2752 -7.2709 PRESSURE: 4279200 31.3037 -93.0688 256.153 -93.0689 -217.156 -4.52066 256.152 -4.52091 15.4065 GPRESSURE: 4279200 22.5092 -96.9467 242.823 -129.332 -139.008 -61.7968 211.399 75.4069 40.8427 PRESSAVG: 4279200 11.6469 -38.15 -6.13428 -38.15 -37.8534 4.74398 -6.13434 4.74407 -7.47097 GPRESSAVG: 4279200 11.7354 -39.08 -4.94969 -36.9539 -37.5731 4.38542 -6.93699 4.49703 -7.92837 TIMING: 4279200 CPU: 13531.2, 0.00316023/step Wall: 13531.2, 0.00316023/step, 0.632749 hours remaining, 236.589844 MB of memory in use. ENERGY: 4279200 4094.4266 20619.4118 14410.8411 267.9240 -203066.1930 2308.9613 0.0000 0.0000 51789.9571 -109574.6710 297.6376 -161364.6282 -109222.0139 299.2976 -56.8154 -25.2185 760411.4404 -11.2258 -11.2554 PRESSURE: 4279400 146.499 -95.2083 -12.06 -95.209 199.129 99.6627 -12.0608 99.6627 263.881 GPRESSURE: 4279400 175.297 -41.3655 -22.913 -24.6146 247.011 62.9004 -6.16489 12.1479 261.233 PRESSAVG: 4279400 28.8639 -73.9357 8.87496 -73.9357 -14.6197 -0.87122 8.87503 -0.871237 -5.63386 GPRESSAVG: 4279400 27.8168 -72.1641 9.26256 -74.0626 -13.5723 -0.845262 9.77006 -2.04688 -5.92744 TIMING: 4279400 CPU: 13531.9, 0.00317538/step Wall: 13531.9, 0.00317537/step, 0.635604 hours remaining, 236.589844 MB of memory in use. ENERGY: 4279400 4059.0156 20508.7193 14445.3667 248.3532 -203318.4039 2474.7882 0.0000 0.0000 51951.8815 -109630.2795 298.5682 -161582.1610 -109270.3646 299.4681 203.1697 227.8473 759508.3739 2.8701 2.7723 PRESSURE: 4279600 -152.926 -258.313 -20.7927 -258.313 231.158 92.0044 -20.7927 92.0046 -153.18 GPRESSURE: 4279600 -116.268 -233.003 45.7844 -232.272 199.906 81.1162 17.3453 160.973 -89.7932 PRESSAVG: 4279600 43.9999 -81.3007 20.4499 -81.3006 -15.0692 69.5647 20.4498 69.5647 2.20605 GPRESSAVG: 4279600 44.7962 -81.248 20.2878 -80.3451 -15.9083 69.0385 19.4783 70.5209 2.63219 TIMING: 4279600 CPU: 13532.5, 0.00319467/step Wall: 13532.5, 0.00319467/step, 0.639288 hours remaining, 236.589844 MB of memory in use. ENERGY: 4279600 3994.1230 20733.5375 14420.9161 251.5047 -203011.2131 2238.7447 0.0000 0.0000 51861.1543 -109511.2327 298.0468 -161372.3870 -109157.2716 299.1595 -24.9827 -2.0515 759745.3498 10.3789 10.5067 PRESSURE: 4279800 -223.965 41.6239 -121.689 41.6233 103.566 180.944 -121.689 180.944 -79.8163 GPRESSURE: 4279800 -184.881 -57.7362 -30.3633 20.5118 144.461 131.726 -95.5029 149.672 -42.1783 PRESSAVG: 4279800 -3.54582 -4.8561 3.8596 -4.85613 -30.0745 15.7402 3.85962 15.7403 8.54056 GPRESSAVG: 4279800 -2.52893 -4.84706 3.3648 -7.43203 -30.0219 14.8398 5.67974 14.7968 7.30626 TIMING: 4279800 CPU: 13533.2, 0.00317462/step Wall: 13533.2, 0.00317462/step, 0.6351 hours remaining, 236.589844 MB of memory in use. ENERGY: 4279800 4002.4154 20510.4700 14444.3768 256.2448 -203581.3901 2402.1672 0.0000 0.0000 52443.1151 -109522.6008 301.3913 -161965.7160 -109154.5863 299.3652 -66.7385 -27.5328 760000.8626 -8.3599 -8.4149 PRESSURE: 4280000 -356.093 -38.5333 104.562 -38.5328 -235.296 -130.598 104.563 -130.599 -132.69 GPRESSURE: 4280000 -293.093 -96.8808 70.5837 -74.6607 -201.855 -60.4523 44.0343 -217.2 -146.125 PRESSAVG: 4280000 43.6764 -28.2393 -29.5077 -28.2394 -6.15999 4.11125 -29.5076 4.11131 -15.4021 GPRESSAVG: 4280000 43.9609 -29.2649 -28.878 -27.8835 -7.13771 6.9324 -29.9221 3.22072 -14.3683 TIMING: 4280000 CPU: 13533.8, 0.00315289/step Wall: 13533.8, 0.00315289/step, 0.630577 hours remaining, 236.589844 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: 4280000 3968.6246 20475.9834 14504.7180 252.4897 -203307.4552 2417.6898 0.0000 0.0000 52129.9483 -109558.0014 299.5915 -161687.9497 -109194.5411 299.7754 -241.3598 -213.6910 761257.0130 7.3714 7.4850 PRESSURE: 4280200 -17.8798 189.882 -25.4176 189.882 -115.15 -130.413 -25.4174 -130.413 329.375 GPRESSURE: 4280200 -24.6405 236.526 -72.1918 -29.4428 -94.2712 -134.807 -70.8931 -60.8795 381.708 PRESSAVG: 4280200 7.31039 -42.141 -3.93533 -42.1409 28.1102 4.73475 -3.93543 4.73481 -20.652 GPRESSAVG: 4280200 7.0027 -40.5935 -4.81203 -42.931 28.5193 2.72942 -3.08591 6.82887 -21.1762 TIMING: 4280200 CPU: 13534.4, 0.00316439/step Wall: 13534.4, 0.00316439/step, 0.632703 hours remaining, 236.589844 MB of memory in use. ENERGY: 4280200 3943.4174 20478.5652 14495.8278 244.5385 -203469.8029 2489.9624 0.0000 0.0000 52144.3774 -109673.1142 299.6745 -161817.4916 -109302.6735 298.8368 65.4485 87.5989 763013.9323 4.9229 4.7819 LDB: ============= START OF LOAD BALANCING ============== 13547 LDB: ============== END OF LOAD BALANCING =============== 13547 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13547 LDB: ============= START OF LOAD BALANCING ============== 13547.3 LDB: Largest compute 7026 load 0.032483 is 16.6% of average load 0.195557 LDB: Average compute 0.004389 is 2.2% of average load 0.195557 LDB: TIME 13547.3 LOAD: AVG 0.195557 MAX 0.216559 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 13547.3 LOAD: AVG 0.195557 MAX 0.216559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: TIME 13547.3 LOAD: AVG 0.195557 MAX 0.216559 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: ============== END OF LOAD BALANCING =============== 13547.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13547.3 PRESSURE: 4280400 400.938 140.616 -176.048 140.616 -297.8 230.609 -176.047 230.608 -241.884 GPRESSURE: 4280400 348.25 206.757 -180.026 151.886 -197.759 242.409 -130.89 186.53 -203.057 PRESSAVG: 4280400 18.0466 -37.4302 -42.585 -37.4302 -27.9365 62.9619 -42.5851 62.9618 -26.6046 GPRESSAVG: 4280400 17.9153 -38.0927 -42.2652 -35.9394 -28.3758 62.9753 -43.7871 63.2622 -25.603 TIMING: 4280400 CPU: 13535.1, 0.0032347/step Wall: 13535.1, 0.0032347/step, 0.64658 hours remaining, 237.312500 MB of memory in use. ENERGY: 4280400 3879.4419 20417.0701 14566.2603 230.1069 -203354.8531 2433.3571 0.0000 0.0000 52075.6244 -109752.9924 299.2793 -161828.6168 -109397.8803 298.2644 -46.2489 -17.5221 761241.1304 -12.1648 -12.0211 PRESSURE: 4280600 -441.742 -60.0566 116.51 -60.0569 -144.687 137.851 116.509 137.851 -328.842 GPRESSURE: 4280600 -353.298 -105.719 149.143 -53.3112 -190.49 187.472 26.0273 -38.1169 -287.36 PRESSAVG: 4280600 -2.6752 7.51397 -42.0809 7.51388 6.44928 8.69895 -42.081 8.69903 19.9951 GPRESSAVG: 4280600 -3.16978 6.80864 -41.1722 6.2767 8.10805 7.93722 -43.6053 6.78959 19.361 TIMING: 4280600 CPU: 13535.7, 0.00317082/step Wall: 13535.7, 0.00317082/step, 0.633635 hours remaining, 237.363281 MB of memory in use. ENERGY: 4280600 4018.1729 20445.3087 14495.2722 238.4990 -203402.4929 2356.4545 0.0000 0.0000 51962.1616 -109886.6240 298.6273 -161848.7856 -109518.9698 298.5421 -305.0905 -277.0494 760552.4965 7.9231 8.0998 PRESSURE: 4280800 57.8495 -218.022 -45.0559 -218.022 -32.3196 -195.675 -45.0556 -195.675 -93.4763 GPRESSURE: 4280800 74.3458 -237.714 -63.3793 -46.832 49.2639 -214.776 -15.7472 -145.859 -108.798 PRESSAVG: 4280800 3.86332 -53.7699 -42.6493 -53.7699 26.7392 26.2392 -42.6492 26.2393 -6.33912 GPRESSAVG: 4280800 4.47639 -51.0786 -44.5763 -53.4596 26.5588 27.4235 -41.389 28.6854 -6.75154 TIMING: 4280800 CPU: 13536.3, 0.00316815/step Wall: 13536.3, 0.00316815/step, 0.632927 hours remaining, 237.363281 MB of memory in use. ENERGY: 4280800 3976.1397 20416.5020 14455.2714 235.2564 -203759.6699 2652.1366 0.0000 0.0000 52046.5054 -109977.8583 299.1120 -162024.3637 -109620.6178 298.3527 -22.6488 4.9374 760313.0898 8.0878 8.0946 PRESSURE: 4281000 -71.8683 60.3542 73.9325 60.3545 -171.459 -205.466 73.933 -205.465 -151.897 GPRESSURE: 4281000 -53.8316 8.12418 31.4574 -88.9023 -45.5974 -145.858 48.203 -111.542 -188.28 PRESSAVG: 4281000 15.8925 -22.5673 -2.29493 -22.5673 50.5965 29.6767 -2.29494 29.6767 0.853816 GPRESSAVG: 4281000 15.271 -24.6298 -0.063988 -23.7086 51.9379 30.045 -4.54192 30.2459 0.79869 TIMING: 4281000 CPU: 13537, 0.00317097/step Wall: 13537, 0.00317097/step, 0.633314 hours remaining, 237.363281 MB of memory in use. ENERGY: 4281000 3930.8595 20405.3792 14432.7992 237.7682 -203296.6485 2305.4674 0.0000 0.0000 52090.6995 -109893.6755 299.3660 -161984.3749 -109530.9789 298.3834 -131.7414 -95.9031 761487.2472 22.4476 22.6692 PRESSURE: 4281200 -108.67 -290.957 -112.721 -290.957 263.387 118.744 -112.721 118.745 148.287 GPRESSURE: 4281200 -50.1369 -252.104 -75.0424 -255.719 281.574 158.511 129.597 112.279 147.139 PRESSAVG: 4281200 -45.5068 -101.986 15.0211 -101.986 24.9815 23.1502 15.0211 23.1502 3.05234 GPRESSAVG: 4281200 -43.9093 -103.533 13.2048 -99.5002 23.8585 23.6804 17.4853 22.7974 3.09133 TIMING: 4281200 CPU: 13537.6, 0.00317893/step Wall: 13537.6, 0.00317893/step, 0.634726 hours remaining, 237.363281 MB of memory in use. ENERGY: 4281200 3938.7434 20615.6171 14511.2961 238.7698 -203422.9652 2534.9593 0.0000 0.0000 52042.2928 -109541.2866 299.0878 -161583.5794 -109183.9632 298.5628 101.0012 126.1922 760258.4541 -5.8243 -5.6532 PRESSURE: 4281400 -169.228 -71.0275 -83.8629 -71.0278 -17.8845 131.497 -83.8617 131.498 4.13692 GPRESSURE: 4281400 -125.274 -55.0674 -113.417 -221.565 57.1299 203.126 44.4161 -67.3817 -10.713 PRESSAVG: 4281400 -52.3109 -90.9697 -14.1463 -90.9698 45.4621 50.8892 -14.1463 50.8892 32.2787 GPRESSAVG: 4281400 -52.5396 -89.389 -12.6775 -91.3732 45.2149 50.6082 -17.1745 50.4563 32.93 TIMING: 4281400 CPU: 13538.2, 0.00316767/step Wall: 13538.2, 0.00316767/step, 0.632302 hours remaining, 237.363281 MB of memory in use. ENERGY: 4281400 3961.8411 20556.1779 14567.2690 247.0229 -203966.1299 2932.9388 0.0000 0.0000 52136.1845 -109564.6957 299.6274 -161700.8802 -109194.6721 299.4112 -60.9919 -26.2856 761156.7138 8.4766 8.5351 PRESSURE: 4281600 -147.476 -42.3751 -27.7975 -42.3753 54.8815 92.3287 -27.7976 92.3283 189.202 GPRESSURE: 4281600 -91.9112 -81.6392 -6.3569 -56.8961 45.4587 176.919 13.7345 5.66685 230.845 PRESSAVG: 4281600 -43.0275 -50.7531 -21.4785 -50.7531 57.5528 36.2922 -21.4785 36.2921 -8.14292 GPRESSAVG: 4281600 -44.5035 -51.3594 -22.4396 -49.6088 58.3542 35.486 -18.1892 34.2781 -7.53999 TIMING: 4281600 CPU: 13538.9, 0.00316314/step Wall: 13538.9, 0.00316314/step, 0.631221 hours remaining, 237.363281 MB of memory in use. ENERGY: 4281600 3996.3158 20604.0356 14548.6811 245.5471 -203227.6489 2440.1490 0.0000 0.0000 52075.7536 -109317.1666 299.2801 -161392.9203 -108950.3686 299.5914 32.2028 61.4643 760639.2258 2.1274 2.1036 PRESSURE: 4281800 -632.212 -152.859 4.28799 -152.859 -392.264 20.4629 4.28784 20.4631 -66.8364 GPRESSURE: 4281800 -583.887 -67.1728 -3.52545 -81.7274 -333.778 -52.8156 -100.629 52.1052 -75.0049 PRESSAVG: 4281800 -40.4964 -55.8137 -56.3582 -55.8137 1.04472 66.4152 -56.3583 66.4152 -16.7151 GPRESSAVG: 4281800 -39.668 -56.1366 -55.5378 -56.4045 0.8238 66.3167 -58.8995 68.6443 -17.6782 TIMING: 4281800 CPU: 13539.5, 0.00317189/step Wall: 13539.5, 0.00317189/step, 0.632792 hours remaining, 237.363281 MB of memory in use. ENERGY: 4281800 4024.9406 20442.4934 14442.7967 242.1809 -203148.1445 2233.6024 0.0000 0.0000 52287.2988 -109474.8318 300.4958 -161762.1306 -109097.8114 300.0279 -363.7710 -330.8900 762433.1243 -18.7223 -18.8408 PRESSURE: 4282000 13.6349 267.498 27.6245 267.499 -45.3511 214.746 27.6245 214.746 26.1342 GPRESSURE: 4282000 15.537 224.291 26.9616 315.37 14.7733 241.983 -60.0001 262.79 47.8017 PRESSAVG: 4282000 14.2252 -39.523 37.6099 -39.5229 -46.0332 48.9615 37.6098 48.9616 14.1458 GPRESSAVG: 4282000 14.277 -38.352 37.3141 -40.7415 -46.1482 49.7987 38.2613 49.3102 14.0987 TIMING: 4282000 CPU: 13540.1, 0.0032002/step Wall: 13540.1, 0.0032002/step, 0.638263 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: 4282000 3963.1395 20540.8423 14483.5395 221.7512 -203099.0469 2340.2601 0.0000 0.0000 52081.6663 -109467.8480 299.3141 -161549.5143 -109091.9936 299.3841 -1.8607 26.0373 761972.3482 -5.8874 -5.9242 PRESSURE: 4282200 144.062 -157.429 99.2922 -157.429 231.369 88.7119 99.2925 88.712 241.967 GPRESSURE: 4282200 159.018 -101.243 63.93 -80.8301 289.891 64.6805 97.4183 126.252 262.417 PRESSAVG: 4282200 -21.7742 -28.1554 21.4293 -28.1554 -21.7262 54.7012 21.4292 54.7013 -25.6138 GPRESSAVG: 4282200 -23.2002 -28.5225 21.8478 -28.2514 -20.2826 55.4174 19.9816 55.4713 -25.1613 TIMING: 4282200 CPU: 13540.8, 0.00319172/step Wall: 13540.8, 0.00319172/step, 0.636393 hours remaining, 237.363281 MB of memory in use. ENERGY: 4282200 3949.5982 20534.0894 14514.2475 232.6789 -203826.5772 2909.7579 0.0000 0.0000 52272.5497 -109413.6556 300.4111 -161686.2054 -109041.7261 299.2642 205.7996 237.1087 760088.8173 -23.0381 -22.8814 PRESSURE: 4282400 -242.793 210.558 102.262 210.558 -16.4342 122.99 102.263 122.988 -137.626 GPRESSURE: 4282400 -239.849 149.216 81.1664 204.84 85.8102 100.703 -0.263311 50.294 -148.43 PRESSAVG: 4282400 19.2243 -23.8444 -30.1073 -23.8444 22.1184 39.0879 -30.1073 39.088 -27.3983 GPRESSAVG: 4282400 19.3773 -24.2339 -31.7155 -23.5191 21.646 37.9487 -28.5832 38.685 -26.9699 TIMING: 4282400 CPU: 13541.4, 0.00316979/step Wall: 13541.4, 0.00316979/step, 0.631844 hours remaining, 237.363281 MB of memory in use. ENERGY: 4282400 3993.5223 20519.7709 14475.7878 218.8936 -203380.3273 2548.9455 0.0000 0.0000 52233.3152 -109390.0920 300.1856 -161623.4072 -109020.9360 299.7334 -132.2844 -100.8230 761312.0602 4.6481 4.6844 PRESSURE: 4282600 -358.228 -101.732 169.488 -101.732 -32.1896 44.3071 169.488 44.3072 11.2413 GPRESSURE: 4282600 -285.995 -196.468 208.67 -172.907 -26.2511 77.6395 33.019 72.3653 12.8785 PRESSAVG: 4282600 7.7262 8.39761 -13.6519 8.39768 -15.4106 26.6154 -13.6519 26.6154 5.60815 GPRESSAVG: 4282600 8.08816 7.40269 -12.1861 10.1068 -14.5652 25.3338 -14.4813 25.9114 4.00852 TIMING: 4282600 CPU: 13542, 0.00316362/step Wall: 13542, 0.00316362/step, 0.630439 hours remaining, 237.363281 MB of memory in use. ENERGY: 4282600 4016.6597 20365.4439 14464.9021 220.4807 -202944.6553 2308.9000 0.0000 0.0000 52162.6523 -109405.6166 299.7795 -161568.2689 -109035.0894 299.2901 -126.3922 -99.7893 760997.8678 -0.6921 -0.8228 PRESSURE: 4282800 -174.084 301.486 -25.324 301.485 46.7265 31.2401 -25.3244 31.2384 208.097 GPRESSURE: 4282800 -218.893 214.721 52.7725 193.959 162.308 1.42497 -17.7707 20.8893 209.338 PRESSAVG: 4282800 51.3815 -19.8408 -15.3054 -19.8408 -54.0335 -15.0505 -15.3054 -15.0505 0.175925 GPRESSAVG: 4282800 51.3065 -19.7967 -17.4004 -21.3176 -55.3156 -13.2264 -11.0236 -16.8658 0.729002 TIMING: 4282800 CPU: 13542.7, 0.00317174/step Wall: 13542.7, 0.00317174/step, 0.631881 hours remaining, 237.363281 MB of memory in use. ENERGY: 4282800 3968.7898 20559.8643 14452.0593 259.2242 -203039.9005 2491.0225 0.0000 0.0000 51973.5536 -109335.3866 298.6927 -161308.9402 -108966.1169 299.2671 26.9132 50.9175 761710.5409 -0.8254 -1.0934 PRESSURE: 4283000 490.43 238.635 14.1269 238.637 127.225 -89.9418 14.1278 -89.943 123.552 GPRESSURE: 4283000 489.407 160.08 69.419 165.068 188.653 36.2232 -30.8255 -64.4233 152.344 PRESSAVG: 4283000 16.3477 -8.47243 -5.44412 -8.47239 18.4013 26.5045 -5.44412 26.5044 -11.1529 GPRESSAVG: 4283000 15.6058 -6.88867 -3.07512 -10.3152 18.1332 25.307 -6.18094 28.5042 -10.2711 TIMING: 4283000 CPU: 13543.3, 0.00315999/step Wall: 13543.3, 0.00315999/step, 0.629364 hours remaining, 237.363281 MB of memory in use. ENERGY: 4283000 3976.0070 20667.5233 14448.4011 268.6392 -203089.1026 2411.8157 0.0000 0.0000 52095.0473 -109221.6690 299.3910 -161316.7163 -108866.2099 299.5417 247.0692 276.8012 761068.4323 7.8654 7.8226 PRESSURE: 4283200 16.7839 20.6695 -87.3471 20.6698 -6.3269 -56.5009 -87.3461 -56.5004 -106.619 GPRESSURE: 4283200 107.265 63.5735 -96.9728 2.37657 -12.3565 -76.7322 -30.7763 -61.839 -121.378 PRESSAVG: 4283200 40.102 -68.154 -3.39609 -68.154 -43.9466 -2.94406 -3.39608 -2.94402 12.3199 GPRESSAVG: 4283200 40.2898 -67.8226 -3.97637 -67.3238 -43.6664 -3.16181 -5.89146 -1.66278 11.3795 TIMING: 4283200 CPU: 13543.9, 0.00317425/step Wall: 13543.9, 0.00317425/step, 0.632029 hours remaining, 237.363281 MB of memory in use. ENERGY: 4283200 3992.6616 20401.6917 14485.6272 260.2799 -202960.4518 2241.1134 0.0000 0.0000 52197.5741 -109381.5040 299.9802 -161579.0781 -109011.7328 299.5414 -32.0540 -8.8232 760250.5641 2.8251 2.6677 PRESSURE: 4283400 79.3629 -22.2004 -129.718 -22.2 -129.079 148.903 -129.718 148.902 321.516 GPRESSURE: 4283400 148.853 -95.8116 -210.589 53.2835 -74.8895 178.407 -164.613 36.669 288.912 PRESSAVG: 4283400 -7.05371 -53.9186 15.1121 -53.9186 51.1775 26.1225 15.112 26.1225 4.39383 GPRESSAVG: 4283400 -6.84288 -55.2622 15.3907 -53.4694 51.5426 25.4792 15.9961 26.3162 3.86752 TIMING: 4283400 CPU: 13544.6, 0.00318674/step Wall: 13544.6, 0.00318674/step, 0.634338 hours remaining, 237.363281 MB of memory in use. ENERGY: 4283400 3883.7328 20451.2252 14536.3993 261.0242 -203253.8970 2553.5636 0.0000 0.0000 52159.6569 -109408.2951 299.7623 -161567.9520 -109035.6401 299.2069 90.6002 120.9584 761981.4411 16.1725 16.1891 PRESSURE: 4283600 -181.607 -23.8257 -8.86644 -23.8256 -73.8572 11.8517 -8.86605 11.8515 44.9327 GPRESSURE: 4283600 -71.3063 -54.1132 -80.4165 55.9392 -99.2848 57.2626 -19.3898 -29.8376 54.8102 PRESSAVG: 4283600 -24.6445 -46.097 -1.21455 -46.0969 2.01842 -11.8668 -1.21449 -11.8669 -8.02116 GPRESSAVG: 4283600 -24.4926 -46.6576 -4.46281 -45.0705 0.896825 -10.5283 -1.151 -13.9885 -6.816 TIMING: 4283600 CPU: 13545.2, 0.00318842/step Wall: 13545.2, 0.00318842/step, 0.634495 hours remaining, 237.363281 MB of memory in use. ENERGY: 4283600 3926.0490 20584.9550 14486.5045 242.5573 -202986.8251 2425.5382 0.0000 0.0000 51977.5995 -109343.6215 298.7160 -161321.2209 -108980.0087 299.3234 -70.1770 -38.5937 761798.2166 -10.2157 -10.1373 PRESSURE: 4283800 300.004 19.8572 -52.2608 19.8568 5.25935 -43.9123 -52.2601 -43.9128 189.569 GPRESSURE: 4283800 277.405 16.7349 -101.079 16.358 31.5177 -52.4194 -83.8373 55.8949 254.863 PRESSAVG: 4283800 20.8978 -69.8713 12.0188 -69.8713 -19.8218 29.0132 12.0187 29.0132 6.86841 GPRESSAVG: 4283800 19.8354 -68.9388 14.7231 -72.355 -19.4932 27.755 12.0096 30.5389 7.39624 TIMING: 4283800 CPU: 13545.9, 0.00317172/step Wall: 13545.9, 0.00317172/step, 0.630995 hours remaining, 237.363281 MB of memory in use. ENERGY: 4283800 3973.6579 20603.6248 14419.3251 229.3601 -203238.2807 2570.8023 0.0000 0.0000 51881.1460 -109560.3645 298.1617 -161441.5105 -109196.0919 299.5359 164.9442 187.9286 761310.0762 2.6481 2.5795 PRESSURE: 4284000 -465.063 13.5377 36.0632 13.539 -342.926 -118.132 36.0633 -118.131 -154.944 GPRESSURE: 4284000 -426.766 -95.8844 -21.1286 57.2807 -287.226 -97.7286 39.4903 -95.2564 -159.651 PRESSAVG: 4284000 -19.4684 -51.8144 15.9173 -51.8143 9.24823 5.19568 15.9173 5.19564 22.56 GPRESSAVG: 4284000 -18.6483 -53.5936 15.642 -50.0551 9.4898 5.81385 14.5878 4.20933 21.8101 TIMING: 4284000 CPU: 13546.5, 0.00318408/step Wall: 13546.5, 0.00318408/step, 0.633278 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: 4284000 3946.6384 20605.1826 14509.7789 254.8978 -203218.0669 2130.9085 0.0000 0.0000 52184.4105 -109586.2502 299.9045 -161770.6607 -109217.3697 299.5374 -320.9779 -291.2141 761389.1896 4.1133 4.2172 PRESSURE: 4284200 -226.811 -65.6221 -181.78 -65.622 -100.322 -33.8977 -181.78 -33.8976 -359.489 GPRESSURE: 4284200 -203.86 -113.408 -177.378 -203.086 -37.2251 -45.1437 -160.936 -99.7541 -353.927 PRESSAVG: 4284200 6.9042 -11.6644 13.0847 -11.6645 -21.0273 15.037 13.0846 15.037 -15.7981 GPRESSAVG: 4284200 6.90063 -11.0375 11.23 -12.0708 -21.8373 14.7687 15.8166 15.7254 -15.2108 TIMING: 4284200 CPU: 13547.1, 0.00317799/step Wall: 13547.1, 0.00317799/step, 0.631891 hours remaining, 237.363281 MB of memory in use. ENERGY: 4284200 3990.9396 20623.1248 14525.4441 238.0421 -203706.2247 2459.5953 0.0000 0.0000 52304.4546 -109564.6242 300.5944 -161869.0788 -109202.1333 299.5055 -228.8738 -198.3376 760903.7233 -9.9737 -10.0492 LDB: ============= START OF LOAD BALANCING ============== 13559.7 LDB: ============== END OF LOAD BALANCING =============== 13559.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13559.7 LDB: ============= START OF LOAD BALANCING ============== 13560 LDB: Largest compute 7067 load 0.035391 is 18.1% of average load 0.195596 LDB: Average compute 0.004417 is 2.3% of average load 0.195596 LDB: TIME 13560 LOAD: AVG 0.195596 MAX 0.213781 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.508 MB LDB: TIME 13560 LOAD: AVG 0.195596 MAX 0.213781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.602 MB LDB: TIME 13560 LOAD: AVG 0.195596 MAX 0.213781 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.602 MB LDB: ============== END OF LOAD BALANCING =============== 13560 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13560 PRESSURE: 4284400 -82.6135 96.9532 -50.596 96.9526 6.99231 1.51548 -50.596 1.51535 -49.732 GPRESSURE: 4284400 -63.3202 31.7452 39.8942 27.6515 20.0702 -15.1295 18.5146 59.7163 1.47828 PRESSAVG: 4284400 -6.2904 -31.32 15.3946 -31.3201 14.0167 1.07504 15.3946 1.07508 -20.6911 GPRESSAVG: 4284400 -5.43339 -31.7614 16.3822 -28.4847 13.4416 1.6482 15.8564 0.337624 -20.9933 TIMING: 4284400 CPU: 13547.8, 0.00323188/step Wall: 13547.8, 0.00323188/step, 0.642425 hours remaining, 236.570312 MB of memory in use. ENERGY: 4284400 4023.6154 20443.3168 14457.8329 249.5229 -203633.2082 2547.8213 0.0000 0.0000 52242.7346 -109668.3644 300.2397 -161911.0989 -109303.4163 299.0781 -41.7844 -13.9239 760856.4638 -4.3216 -4.3284 PRESSURE: 4284600 203.142 -229.29 -31.8656 -229.29 -427.207 -82.2898 -31.8651 -82.2912 -446.409 GPRESSURE: 4284600 145.853 -100.559 -7.8873 -245.726 -397.788 11.8996 -141.345 6.86436 -341.149 PRESSAVG: 4284600 -24.1464 -9.68229 -13.1467 -9.68232 28.9647 14.3361 -13.1467 14.336 7.1508 GPRESSAVG: 4284600 -26.2987 -7.9329 -13.7201 -12.5489 30.4029 15.5023 -13.4943 13.6566 8.17798 TIMING: 4284600 CPU: 13548.4, 0.00315541/step Wall: 13548.4, 0.00315541/step, 0.62705 hours remaining, 236.570312 MB of memory in use. ENERGY: 4284600 3949.9583 20574.7159 14498.8388 234.1399 -203601.7569 2495.2830 0.0000 0.0000 52218.8953 -109629.9258 300.1027 -161848.8211 -109259.0591 299.1018 -223.4913 -197.6946 759685.3967 3.9897 4.0940 PRESSURE: 4284800 6.49621 -227.223 322.939 -227.223 236.46 -199.783 322.94 -199.783 211.172 GPRESSURE: 4284800 130.496 -67.8778 269.165 -129.139 286.125 -210.203 150.599 -183.058 135.24 PRESSAVG: 4284800 -60.1746 -26.2369 38.5814 -26.2369 8.02103 -13.0124 38.5814 -13.0123 18.3605 GPRESSAVG: 4284800 -59.5753 -27.395 37.8603 -23.6252 8.64607 -16.2182 37.0298 -11.8757 16.6966 TIMING: 4284800 CPU: 13549, 0.00316218/step Wall: 13549, 0.00316218/step, 0.628219 hours remaining, 236.570312 MB of memory in use. ENERGY: 4284800 3988.0226 20477.1325 14517.3038 249.1575 -203293.5372 2536.3440 0.0000 0.0000 52162.6205 -109362.9563 299.7793 -161525.5768 -109005.7361 299.1870 151.3763 183.9538 761322.7060 -11.2644 -11.4109 PRESSURE: 4285000 -161.668 -14.4444 12.9722 -14.4447 287.907 125.568 12.9726 125.568 272.382 GPRESSURE: 4285000 -72.3135 102.689 6.63716 10.7564 258.49 214.398 -17.9596 48.8177 311.749 PRESSAVG: 4285000 23.0068 -33.5333 2.04144 -33.5333 -1.95941 17.1342 2.04146 17.1342 1.23811 GPRESSAVG: 4285000 22.4057 -31.0325 2.41763 -34.7421 -1.70885 19.2913 1.42181 16.6074 1.96493 TIMING: 4285000 CPU: 13549.7, 0.00315929/step Wall: 13549.7, 0.00315929/step, 0.627471 hours remaining, 236.570312 MB of memory in use. ENERGY: 4285000 3923.1678 20535.7235 14556.0873 268.1845 -203591.6518 2608.5972 0.0000 0.0000 52149.5521 -109550.3394 299.7042 -161699.8914 -109185.8703 299.0495 132.8737 165.9754 759628.9900 7.4285 7.5539 PRESSURE: 4285200 -50.8736 -57.5619 14.6042 -57.5621 53.3696 62.6497 14.6049 62.6497 -79.0623 GPRESSURE: 4285200 45.8968 -4.65834 11.1797 8.16706 7.72691 57.951 25.3974 -3.96891 -41.4011 PRESSAVG: 4285200 11.6977 -63.1399 45.8613 -63.1399 10.1404 -10.7053 45.8613 -10.7052 7.5195 GPRESSAVG: 4285200 13.1961 -63.2031 46.454 -64.8505 8.28854 -12.164 47.6009 -11.1028 7.81622 TIMING: 4285200 CPU: 13550.3, 0.0031508/step Wall: 13550.3, 0.0031508/step, 0.625609 hours remaining, 236.570312 MB of memory in use. ENERGY: 4285200 4000.6064 20609.7085 14557.4966 228.9203 -203691.2357 2793.9609 0.0000 0.0000 52038.7308 -109461.8121 299.0673 -161500.5430 -109098.3639 298.6657 -25.5221 4.0742 761974.8154 9.7859 9.7669 PRESSURE: 4285400 -449.265 -99.2091 123.943 -99.2078 -36.9532 86.3541 123.942 86.3535 170.016 GPRESSURE: 4285400 -423.184 -141.48 127.444 -198.525 30.3246 103.421 87.0791 86.6983 151.139 PRESSAVG: 4285400 -50.4352 -7.88898 51.8037 -7.88893 47.262 -32.0225 51.8037 -32.0225 -26.8816 GPRESSAVG: 4285400 -51.5802 -7.84352 52.2035 -8.1197 47.9815 -31.8532 49.9193 -30.8682 -26.4647 TIMING: 4285400 CPU: 13550.9, 0.00315531/step Wall: 13550.9, 0.00315531/step, 0.626329 hours remaining, 236.570312 MB of memory in use. ENERGY: 4285400 3926.1295 20558.9064 14526.4395 252.8480 -203415.1062 2478.0813 0.0000 0.0000 52140.5878 -109532.1137 299.6527 -161672.7015 -109174.3292 299.3772 -105.4009 -80.5736 760473.1226 -10.0183 -10.0212 PRESSURE: 4285600 474.451 -213.786 301.421 -213.787 -206.5 -52.866 301.421 -52.8654 730.503 GPRESSURE: 4285600 511.788 -231.16 270.772 -158.513 -119.994 -155.61 252.308 -104.964 662.092 PRESSAVG: 4285600 41.4921 -39.2402 38.2126 -39.2402 -60.1378 -4.96755 38.2126 -4.96753 -11.4724 GPRESSAVG: 4285600 40.4351 -40.1638 37.978 -39.1306 -59.233 -3.57207 40.3689 -6.21337 -11.6357 TIMING: 4285600 CPU: 13551.6, 0.00315101/step Wall: 13551.6, 0.00315101/step, 0.6253 hours remaining, 236.570312 MB of memory in use. ENERGY: 4285600 3954.7703 20736.0561 14600.4963 259.3081 -203684.0687 2615.6353 0.0000 0.0000 52094.6568 -109423.1458 299.3887 -161517.8027 -109056.4540 299.6463 332.8182 351.2952 758319.3059 -10.0393 -10.1445 PRESSURE: 4285800 25.7677 -84.9093 -127.886 -84.9104 104.319 -154.974 -127.885 -154.974 -0.505937 GPRESSURE: 4285800 179.91 -73.0111 -87.0162 -102.659 91.4159 -197.601 -177.774 -142.572 -49.5818 PRESSAVG: 4285800 9.89904 -58.0696 29.09 -58.0695 5.03345 -83.3937 29.09 -83.3937 8.15362 GPRESSAVG: 4285800 12.8101 -56.6424 30.203 -58.0178 2.68815 -84.6365 30.1281 -82.9736 7.80518 TIMING: 4285800 CPU: 13552.2, 0.00315946/step Wall: 13552.2, 0.00315946/step, 0.626801 hours remaining, 236.570312 MB of memory in use. ENERGY: 4285800 3932.2003 20504.5876 14483.5954 253.3364 -203827.8636 2840.7919 0.0000 0.0000 52306.6751 -109506.6769 300.6072 -161813.3520 -109135.4870 299.8006 43.1935 73.9148 759740.9794 7.6954 7.7678 PRESSURE: 4286000 322.762 -58.5705 -13.2652 -58.5708 545.55 -159.334 -13.2655 -159.335 569.892 GPRESSURE: 4286000 346.381 60.1678 -42.9555 -147.125 532.241 -160.671 119.75 -168.569 633.279 PRESSAVG: 4286000 57.3361 -16.9677 -2.98988 -16.9676 -8.8858 -6.06149 -2.98984 -6.06154 1.74774 GPRESSAVG: 4286000 57.1595 -16.546 -3.70718 -17.7485 -8.91896 -7.90808 -5.44814 -4.73915 2.19039 TIMING: 4286000 CPU: 13552.8, 0.00316204/step Wall: 13552.8, 0.00316204/step, 0.627138 hours remaining, 236.570312 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: 4286000 3896.0545 20433.2790 14473.5455 236.6503 -203492.7357 2908.2333 0.0000 0.0000 52100.9577 -109444.0154 299.4249 -161544.9730 -109096.2594 299.0919 479.4015 503.9667 759787.7001 16.7327 16.8103 PRESSURE: 4286200 -109.338 300.924 -6.44015 300.923 -304.49 -244.121 -6.43978 -244.122 -56.0338 GPRESSURE: 4286200 -78.4212 229.225 -126.507 190.533 -227.63 -214.962 53.5623 -289.383 -87.2277 PRESSAVG: 4286200 -10.0314 -20.9687 51.5548 -20.9687 -16.5887 -22.0154 51.5548 -22.0154 -12.7721 GPRESSAVG: 4286200 -11.5223 -23.4079 50.4485 -19.6669 -14.479 -20.3202 54.1681 -23.1721 -12.9097 TIMING: 4286200 CPU: 13553.5, 0.0031612/step Wall: 13553.5, 0.0031612/step, 0.626796 hours remaining, 236.570312 MB of memory in use. ENERGY: 4286200 4048.5664 20634.0158 14513.3381 260.0793 -203282.9467 2587.0829 0.0000 0.0000 52029.2583 -109210.6058 299.0129 -161239.8642 -108863.4718 299.8767 -156.6204 -131.0929 761809.7571 -13.1307 -12.9703 PRESSURE: 4286400 -18.9592 -76.2436 38.2395 -76.2431 21.9098 142.978 38.24 142.978 -90.179 GPRESSURE: 4286400 14.2591 -68.3277 -60.7211 -128.875 135.617 262.724 60.0813 65.9959 -142.018 PRESSAVG: 4286400 76.0411 -63.5533 27.6915 -63.5533 -85.3415 6.23775 27.6915 6.23773 -13.5622 GPRESSAVG: 4286400 77.9185 -65.172 27.0011 -63.4813 -87.0342 6.39168 25.6905 6.7119 -14.0588 TIMING: 4286400 CPU: 13554.1, 0.00315287/step Wall: 13554.1, 0.00315287/step, 0.62497 hours remaining, 236.570312 MB of memory in use. ENERGY: 4286400 4003.8728 20444.5016 14498.5800 259.1626 -203194.7326 2700.1147 0.0000 0.0000 52055.7771 -109232.7237 299.1653 -161288.5009 -108871.6724 300.0909 -29.0761 2.6194 761008.1353 -7.6209 -7.7248 PRESSURE: 4286600 -116.266 -34.924 -19.5092 -34.9239 -91.274 97.1973 -19.5089 97.1955 182.847 GPRESSURE: 4286600 -19.3006 -76.1745 -29.3033 28.3864 -108.634 59.5952 -102.845 118.472 192.907 PRESSAVG: 4286600 38.1398 -69.9343 -0.324621 -69.9343 -16.9084 3.73229 -0.324659 3.73226 1.34944 GPRESSAVG: 4286600 36.3909 -68.3763 1.54502 -70.3683 -16.5032 2.29409 -0.310253 5.4604 2.04915 TIMING: 4286600 CPU: 13554.7, 0.00313689/step Wall: 13554.7, 0.00313689/step, 0.621628 hours remaining, 236.570312 MB of memory in use. ENERGY: 4286600 3965.7138 20469.8359 14558.0313 226.0805 -203237.6519 2400.0052 0.0000 0.0000 52176.0933 -109441.8918 299.8567 -161617.9852 -109083.7031 299.6831 -8.2312 21.6574 761199.5814 7.5269 7.3123 PRESSURE: 4286800 -39.1773 -183.325 -228.666 -183.325 -10.7626 115.854 -228.666 115.853 79.4171 GPRESSURE: 4286800 -15.1318 -126.225 -208.903 -262.789 61.8452 15.9777 -265.748 142.627 77.2325 PRESSAVG: 4286800 5.19324 -68.3824 -47.482 -68.3824 49.1477 12.5076 -47.482 12.5076 -7.29566 GPRESSAVG: 4286800 6.47976 -69.4405 -48.2033 -67.7235 49.33 13.9711 -48.4663 10.6691 -7.60513 TIMING: 4286800 CPU: 13555.3, 0.00316204/step Wall: 13555.3, 0.00316204/step, 0.626435 hours remaining, 236.570312 MB of memory in use. ENERGY: 4286800 3969.7506 20584.3569 14451.8705 242.5273 -202911.8335 2265.8790 0.0000 0.0000 52071.8822 -109325.5670 299.2578 -161397.4491 -108962.5785 299.3819 9.8257 41.3153 760390.3203 15.6817 16.0682 PRESSURE: 4287000 -21.2691 -206.123 69.9126 -206.122 191.394 129.178 69.9133 129.18 58.889 GPRESSURE: 4287000 -11.4562 -156.041 79.8405 -130.33 195.26 73.2168 100.107 84.0457 135.785 PRESSAVG: 4287000 -19.0223 -47.0887 24.0196 -47.0887 1.44561 15.6838 24.0197 15.6837 -4.37142 GPRESSAVG: 4287000 -21.0056 -45.5998 24.2986 -46.1621 2.61841 14.5397 26.0641 14.581 -4.06943 TIMING: 4287000 CPU: 13556, 0.00315425/step Wall: 13556, 0.00315425/step, 0.624716 hours remaining, 236.570312 MB of memory in use. ENERGY: 4287000 3971.9889 20574.0384 14456.9420 244.9605 -203284.0773 2539.1773 0.0000 0.0000 52078.3878 -109418.5826 299.2952 -161496.9703 -109059.5075 298.8378 76.3378 106.5296 761353.8603 -7.3160 -7.4855 PRESSURE: 4287200 -10.3621 -31.677 90.332 -31.6768 -81.3569 -39.0908 90.3313 -39.0897 262.97 GPRESSURE: 4287200 -15.4602 -81.5149 54.0073 -102.622 -112.542 -27.6471 0.383936 -41.8648 391.319 PRESSAVG: 4287200 -14.1034 -31.7283 -10.6368 -31.7283 -10.3831 38.6705 -10.6367 38.6704 -12.6915 GPRESSAVG: 4287200 -13.5369 -31.2622 -8.72566 -33.4248 -10.9739 38.8233 -12.4101 37.5553 -13.0476 TIMING: 4287200 CPU: 13556.6, 0.00314944/step Wall: 13556.6, 0.00314944/step, 0.623588 hours remaining, 236.570312 MB of memory in use. ENERGY: 4287200 3959.0927 20582.2049 14431.9180 249.1519 -203035.1276 2542.6545 0.0000 0.0000 51781.8619 -109488.2437 297.5911 -161270.1056 -109125.0098 299.0481 57.0835 87.7723 759910.6758 -12.3927 -12.5195 PRESSURE: 4287400 50.3016 -109.81 -181.588 -109.81 -231.016 151.57 -181.587 151.569 4.73978 GPRESSURE: 4287400 15.3496 -112.829 -164.897 -188.383 -132.669 172.214 -218.987 148.225 55.3276 PRESSAVG: 4287400 -50.449 -55.8053 9.55072 -55.8053 42.1982 20.5785 9.55062 20.5785 6.60993 GPRESSAVG: 4287400 -51.56 -56.1677 8.30911 -55.4799 42.7899 20.8906 11.4224 21.4524 6.97264 TIMING: 4287400 CPU: 13557.2, 0.00314984/step Wall: 13557.2, 0.00314984/step, 0.623493 hours remaining, 236.570312 MB of memory in use. ENERGY: 4287400 4058.0397 20498.8416 14522.9303 241.0900 -203029.9780 2363.4279 0.0000 0.0000 52183.3221 -109162.3264 299.8983 -161345.6485 -108803.4367 299.8829 -58.6583 -20.6641 760722.6087 -0.5469 -0.5992 PRESSURE: 4287600 100.822 -251.738 265.017 -251.738 -44.5933 -52.2361 265.015 -52.2369 95.5485 GPRESSURE: 4287600 50.5287 -128.953 285.032 -274.381 88.9886 -119.036 207.065 -46.2914 93.9812 PRESSAVG: 4287600 17.4123 -26.0532 39.5601 -26.0532 -50.7087 22.583 39.5602 22.583 -18.397 GPRESSAVG: 4287600 17.6946 -26.0843 39.9216 -25.5659 -50.1947 24.0648 37.5949 22.6904 -19.4248 TIMING: 4287600 CPU: 13557.9, 0.00314418/step Wall: 13557.9, 0.00314418/step, 0.622198 hours remaining, 236.570312 MB of memory in use. ENERGY: 4287600 3954.3716 20566.2183 14554.7274 247.4097 -203385.2045 2722.7739 0.0000 0.0000 52008.4370 -109331.2666 298.8932 -161339.7036 -108970.3232 300.0291 50.5923 77.8328 759169.5345 -17.2311 -17.3083 PRESSURE: 4287800 -318.827 64.6011 2.89596 64.5996 -202.961 0.344986 2.89601 0.344392 -27.7211 GPRESSURE: 4287800 -232.312 83.5069 -71.6386 -105.645 -206.173 9.99625 -8.63462 -73.0248 -30.0137 PRESSAVG: 4287800 45.8407 -36.7081 -10.5837 -36.708 5.00509 0.460209 -10.5837 0.460283 5.82098 GPRESSAVG: 4287800 45.9813 -37.2722 -11.7806 -37.6321 5.18613 -1.70305 -10.8881 1.23017 6.3952 TIMING: 4287800 CPU: 13558.5, 0.00315278/step Wall: 13558.5, 0.00315278/step, 0.623726 hours remaining, 236.570312 MB of memory in use. ENERGY: 4287800 3976.5025 20544.0232 14496.0840 239.1656 -203006.5113 2137.3727 0.0000 0.0000 52142.6677 -109470.6955 299.6646 -161613.3633 -109104.4060 299.1589 -183.1700 -156.1660 761320.9097 18.8889 19.1875 PRESSURE: 4288000 -211.697 -94.6083 -45.7942 -94.6075 0.413296 96.3457 -45.7933 96.3461 -605.345 GPRESSURE: 4288000 -114.872 -89.5212 -107.314 -81.2279 -10.7455 138.008 21.5463 -31.7178 -613.502 PRESSAVG: 4288000 -11.3167 -58.3086 -20.15 -58.3086 23.7812 -49.7107 -20.15 -49.7107 -12.3799 GPRESSAVG: 4288000 -10.8365 -56.4877 -19.5608 -56.8887 23.0299 -46.8147 -19.6997 -51.0444 -12.6064 TIMING: 4288000 CPU: 13559.1, 0.00315596/step Wall: 13559.1, 0.00315596/step, 0.624178 hours remaining, 236.570312 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: 4288000 3968.2528 20601.8134 14421.2276 238.9641 -203299.9641 2397.2016 0.0000 0.0000 52130.8307 -109541.6739 299.5966 -161672.5046 -109173.4395 299.4218 -272.2098 -246.3732 761277.9094 0.0282 -0.1377 PRESSURE: 4288200 164.268 46.2931 -64.8955 46.2939 7.55356 -25.0539 -64.8946 -25.054 -32.8852 GPRESSURE: 4288200 111.651 45.2143 -18.5848 22.4699 62.2056 -31.1936 -94.7874 -202.398 45.3994 PRESSAVG: 4288200 -58.3281 -23.3453 -7.55284 -23.3452 67.0515 -0.530511 -7.55285 -0.530484 20.3594 GPRESSAVG: 4288200 -58.3469 -23.5467 -7.6427 -24.0619 67.0019 -0.56087 -8.30457 -1.19552 19.5659 TIMING: 4288200 CPU: 13559.8, 0.00315779/step Wall: 13559.8, 0.00315779/step, 0.624365 hours remaining, 236.570312 MB of memory in use. ENERGY: 4288200 3911.1951 20439.0207 14473.0142 257.7448 -203454.3702 2581.7042 0.0000 0.0000 52122.9584 -109668.7326 299.5514 -161791.6911 -109292.0266 298.8183 46.3121 73.0854 760504.6903 9.6942 9.4069 LDB: ============= START OF LOAD BALANCING ============== 13572.3 LDB: ============== END OF LOAD BALANCING =============== 13572.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13572.3 LDB: ============= START OF LOAD BALANCING ============== 13572.6 LDB: Largest compute 7067 load 0.035280 is 18.0% of average load 0.195501 LDB: Average compute 0.004426 is 2.3% of average load 0.195501 LDB: TIME 13572.6 LOAD: AVG 0.195501 MAX 0.213037 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.234 MB LDB: TIME 13572.6 LOAD: AVG 0.195501 MAX 0.213037 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 13572.6 LOAD: AVG 0.195501 MAX 0.213037 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 13572.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13572.6 PRESSURE: 4288400 52.2226 43.119 47.2502 43.1188 -45.5744 154.931 47.2509 154.931 208.608 GPRESSURE: 4288400 52.4322 70.8733 22.8705 37.8198 73.9447 132.187 25.2449 98.11 177.567 PRESSAVG: 4288400 4.00741 2.2993 10.0719 2.29919 -12.5269 0.524566 10.0719 0.524566 -6.9394 GPRESSAVG: 4288400 4.2316 1.12082 7.79514 3.48862 -13.8653 -1.39065 13.3427 3.02599 -5.88717 TIMING: 4288400 CPU: 13560.4, 0.00322772/step Wall: 13560.4, 0.00322772/step, 0.638013 hours remaining, 235.152344 MB of memory in use. ENERGY: 4288400 3994.1554 20392.3183 14517.8397 266.9066 -203735.8280 2677.4659 0.0000 0.0000 52184.3259 -109702.8163 299.9040 -161887.1422 -109333.2107 298.8997 71.7519 101.3146 760254.0439 -5.1530 -5.1736 PRESSURE: 4288600 -425.959 -223.526 145.37 -223.527 155.408 169.077 145.37 169.078 282.194 GPRESSURE: 4288600 -377.52 -259.183 125.292 -241.472 132.235 160.583 105.843 151.886 340.704 PRESSAVG: 4288600 -39.4337 4.62359 32.5326 4.62359 69.9698 18.7461 32.5326 18.746 14.762 GPRESSAVG: 4288600 -40.8778 5.33049 33.9626 2.21826 70.5955 19.7006 30.5799 19.4463 15.894 TIMING: 4288600 CPU: 13561, 0.00315555/step Wall: 13561, 0.00315555/step, 0.623572 hours remaining, 235.410156 MB of memory in use. ENERGY: 4288600 3977.0041 20580.0353 14508.2910 261.8547 -203481.5218 2422.2793 0.0000 0.0000 51923.6851 -109808.3723 298.4061 -161732.0575 -109448.6611 298.7499 3.8812 31.8064 761538.6492 15.0994 15.2039 PRESSURE: 4288800 -478.866 -231.389 194.376 -231.39 -342.145 101.994 194.376 101.994 -273.707 GPRESSURE: 4288800 -357.031 -284.552 230.154 -254.82 -300.638 154.397 233.741 34.6576 -340.931 PRESSAVG: 4288800 -40.6756 -39.0358 42.7717 -39.0358 -4.35505 58.2736 42.7717 58.2735 -1.27722 GPRESSAVG: 4288800 -40.451 -40.5652 43.8847 -36.9495 -2.53559 57.7322 41.0822 59.2136 -3.09956 TIMING: 4288800 CPU: 13561.7, 0.00315214/step Wall: 13561.7, 0.00315214/step, 0.622723 hours remaining, 235.410156 MB of memory in use. ENERGY: 4288800 4014.1438 20505.5306 14514.6563 234.6637 -203401.1548 2499.8385 0.0000 0.0000 51857.7482 -109774.5738 298.0272 -161632.3220 -109415.6677 298.5479 -364.9058 -332.8671 761951.9995 -15.4359 -15.3620 PRESSURE: 4289000 -67.9686 -105.381 -162.315 -105.381 -74.5285 53.7443 -162.316 53.7449 -83.7843 GPRESSURE: 4289000 -20.9206 -87.6005 -242.956 -148.722 -132.515 146.989 -90.7896 112.352 27.6911 PRESSAVG: 4289000 -14.7714 -24.4077 -28.7061 -24.4077 28.9302 41.3762 -28.7061 41.3762 -0.089848 GPRESSAVG: 4289000 -13.084 -22.8043 -28.9188 -25.8732 26.6054 40.9809 -26.7427 40.3617 1.13895 TIMING: 4289000 CPU: 13562.3, 0.00313943/step Wall: 13562.3, 0.00313943/step, 0.620038 hours remaining, 235.410156 MB of memory in use. ENERGY: 4289000 3996.4383 20588.4244 14516.0108 238.2315 -203517.4303 2636.5177 0.0000 0.0000 51661.7464 -109880.0611 296.9008 -161541.8075 -109536.1226 298.7861 -75.4271 -41.9150 761839.0384 4.6896 4.8868 PRESSURE: 4289200 390.717 -1.50804 313.535 -1.50804 -38.7318 236.38 313.535 236.38 96.1272 GPRESSURE: 4289200 387.042 121.358 304.523 -187.86 34.7973 162.74 171.337 167.072 111.06 PRESSAVG: 4289200 27.7358 -62.2229 -20.7095 -62.2228 38.8139 15.3072 -20.7095 15.3071 20.4742 GPRESSAVG: 4289200 25.7984 -61.5399 -21.0786 -62.5941 39.8782 16.2216 -22.2152 14.9705 21.286 TIMING: 4289200 CPU: 13562.9, 0.00317733/step Wall: 13562.9, 0.00317733/step, 0.627347 hours remaining, 235.410156 MB of memory in use. ENERGY: 4289200 3958.9637 20427.1229 14562.4518 245.4694 -203555.5264 2556.9573 0.0000 0.0000 52009.6685 -109794.8928 298.9003 -161804.5613 -109436.3821 298.8945 149.3708 177.6330 760038.2360 29.0079 28.9875 PRESSURE: 4289400 -274.988 -62.7119 141.383 -62.7122 109.527 -102.981 141.383 -102.981 -329.668 GPRESSURE: 4289400 -246.723 -87.8919 134.79 -29.0466 174.712 -93.2555 123.329 -104.238 -314.674 PRESSAVG: 4289400 -23.8211 -22.4717 59.4163 -22.4718 -2.68458 -3.9891 59.4163 -3.98926 -11.6255 GPRESSAVG: 4289400 -22.3673 -24.9473 59.6215 -22.7917 -2.62793 -4.23866 57.6765 -4.06426 -12.4955 TIMING: 4289400 CPU: 13563.6, 0.00316678/step Wall: 13563.6, 0.00316678/step, 0.625087 hours remaining, 235.410156 MB of memory in use. ENERGY: 4289400 3945.7277 20313.2451 14503.4730 255.9979 -203167.0256 2282.1920 0.0000 0.0000 51901.3962 -109964.9936 298.2780 -161866.3898 -109601.3730 298.1827 -165.0430 -128.8949 759716.2873 -12.7104 -12.4969 PRESSURE: 4289600 253.831 -133.68 79.6622 -133.681 316.897 -62.7911 79.6621 -62.7906 506.498 GPRESSURE: 4289600 275.171 -182.069 18.4413 -90.6381 404.26 -43.1602 123.834 -17.4307 485.579 PRESSAVG: 4289600 -90.0809 -33.36 44.1738 -33.36 69.5054 -18.4836 44.1738 -18.4836 -2.4079 GPRESSAVG: 4289600 -90.5889 -33.0497 43.3481 -34.6354 69.7453 -17.4929 47.1043 -18.9756 -2.53945 TIMING: 4289600 CPU: 13564.2, 0.00316364/step Wall: 13564.2, 0.00316364/step, 0.624292 hours remaining, 235.410156 MB of memory in use. ENERGY: 4289600 3914.0839 20304.7497 14476.8426 249.4378 -203700.2859 3008.6195 0.0000 0.0000 51750.3856 -109996.1668 297.4102 -161746.5524 -109630.7000 298.0117 359.0754 388.3368 759537.8433 -7.6611 -7.7944 PRESSURE: 4289800 -136.678 -128.437 42.3104 -128.436 153.641 28.1451 42.3106 28.1442 -36.0946 GPRESSURE: 4289800 -49.9086 -102.37 52.9729 -83.2063 184.3 6.56814 67.217 40.3535 -54.4075 PRESSAVG: 4289800 1.98015 -44.5987 11.5116 -44.5987 38.3393 -11.5914 11.5116 -11.5913 -3.89094 GPRESSAVG: 4289800 2.39965 -41.5681 11.1175 -44.1208 38.369 -13.552 10.2242 -10.3989 -4.03771 TIMING: 4289800 CPU: 13564.8, 0.00316426/step Wall: 13564.8, 0.00316426/step, 0.624238 hours remaining, 235.410156 MB of memory in use. ENERGY: 4289800 4026.6895 20352.3279 14483.6532 244.1775 -203477.2587 2418.4937 0.0000 0.0000 51761.3106 -110190.6063 297.4730 -161951.9169 -109824.4536 298.0697 -6.3772 26.6613 759736.1744 12.1428 12.2437 PRESSURE: 4290000 24.6209 2.88919 -47.6571 2.88963 102.94 73.6928 -47.6572 73.6932 85.2474 GPRESSURE: 4290000 0.367983 -16.9807 -59.0977 -17.2098 207.894 110.39 -35.0553 141.757 101.615 PRESSAVG: 4290000 -97.1112 -15.3498 -23.7732 -15.3498 58.5601 36.1283 -23.7732 36.1283 21.5915 GPRESSAVG: 4290000 -97.7239 -18.0675 -23.7289 -13.7409 57.4977 37.5608 -24.6061 37.0798 23.1675 TIMING: 4290000 CPU: 13565.5, 0.00318032/step Wall: 13565.5, 0.00318032/step, 0.62723 hours remaining, 235.410156 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: 4290000 3945.8493 20448.8849 14478.7757 223.7323 -203492.5204 2719.7162 0.0000 0.0000 51887.8182 -109787.7438 298.2000 -161675.5620 -109418.1206 297.8279 70.9359 103.2921 760365.7793 -5.6532 -5.6862 PRESSURE: 4290200 -376.661 255.239 272.617 255.239 200.833 -180.578 272.617 -180.577 -409.494 GPRESSURE: 4290200 -224.404 227.369 210.639 229.623 205.879 -57.6402 131.577 -209.634 -483.765 PRESSAVG: 4290200 -66.5044 -43.4441 -7.88662 -43.444 64.7976 23.7556 -7.88663 23.7557 -12.3632 GPRESSAVG: 4290200 -65.4285 -41.9684 -9.16815 -43.9448 63.7677 24.3032 -4.60984 23.254 -12.9534 TIMING: 4290200 CPU: 13566.1, 0.00315703/step Wall: 13566.1, 0.00315703/step, 0.622461 hours remaining, 235.410156 MB of memory in use. ENERGY: 4290200 3933.5088 20554.3135 14450.0004 235.6536 -203250.4519 2255.8172 0.0000 0.0000 52079.6371 -109741.5212 299.3024 -161821.1583 -109370.3552 298.4236 -195.1075 -167.4300 760274.3244 -4.6900 -4.8714 PRESSURE: 4290400 -188.637 -54.2569 -172.421 -54.2569 -187.394 -49.4567 -172.421 -49.4566 110.826 GPRESSURE: 4290400 -138.372 70.1877 -94.7634 -29.5481 -150.244 -31.2223 -26.9376 -162.408 127.488 PRESSAVG: 4290400 -20.3479 -31.2251 -3.35228 -31.2251 49.4392 -1.09759 -3.3523 -1.09762 -6.49886 GPRESSAVG: 4290400 -19.8294 -31.7145 -1.29478 -31.2294 51.1151 -1.80733 -5.67631 -0.833145 -8.70514 TIMING: 4290400 CPU: 13566.7, 0.00317024/step Wall: 13566.7, 0.00317024/step, 0.624889 hours remaining, 235.410156 MB of memory in use. ENERGY: 4290400 4030.7518 20491.9594 14450.8329 247.2391 -203260.8320 2418.9304 0.0000 0.0000 52017.2207 -109603.8977 298.9437 -161621.1185 -109241.6700 298.8001 -88.4017 -53.7095 761073.8456 7.5308 7.5269 PRESSURE: 4290600 -306.923 -60.1014 -138.888 -60.102 -46.0497 -57.1169 -138.888 -57.1174 79.5971 GPRESSURE: 4290600 -233.974 -127.352 -119.774 -46.4346 -23.1711 -121.449 -82.7131 -116.913 79.6178 PRESSAVG: 4290600 -21.037 -28.4549 -33.3739 -28.4549 33.6565 -20.3081 -33.374 -20.3081 2.52543 GPRESSAVG: 4290600 -22.6364 -28.8683 -34.2774 -26.4944 33.7839 -19.4412 -32.0496 -24.0472 4.31146 TIMING: 4290600 CPU: 13567.4, 0.00318548/step Wall: 13567.4, 0.00318548/step, 0.627717 hours remaining, 235.410156 MB of memory in use. ENERGY: 4290600 4054.7659 20492.2316 14461.8739 234.9595 -202820.1157 2178.5995 0.0000 0.0000 51831.3054 -109566.3797 297.8752 -161397.6852 -109196.7814 298.8985 -91.1254 -59.1757 760769.0214 5.0483 5.1530 PRESSURE: 4290800 -16.5153 22.4736 52.9508 22.4737 -196.612 -99.0948 52.9499 -99.0957 -239.076 GPRESSURE: 4290800 -33.0047 8.69282 1.85811 73.7388 -100.944 -168.343 -4.49163 -75.5896 -227.626 PRESSAVG: 4290800 -68.5198 27.7367 -9.99726 27.7367 29.2678 -7.66641 -9.99729 -7.66642 3.0459 GPRESSAVG: 4290800 -66.6623 27.4872 -10.408 25.9561 28.2043 -8.61645 -11.5398 -2.98145 2.32507 TIMING: 4290800 CPU: 13568, 0.00316869/step Wall: 13568, 0.00316869/step, 0.624232 hours remaining, 235.410156 MB of memory in use. ENERGY: 4290800 3994.3368 20540.5595 14478.4908 236.2186 -203296.7887 2509.5200 0.0000 0.0000 51840.3816 -109697.2814 297.9274 -161537.6631 -109328.6241 298.8352 -150.7346 -120.5249 759910.8012 -12.0687 -12.0443 PRESSURE: 4291000 -348.446 -56.3981 158.981 -56.3983 -306.393 -23.8704 158.982 -23.8698 360.405 GPRESSURE: 4291000 -460.207 -25.1454 136.649 -81.1547 -256.86 -44.2485 -7.04616 -48.5222 510.681 PRESSAVG: 4291000 36.1228 -40.6343 17.8391 -40.6342 -5.88173 -0.831634 17.839 -0.831666 4.21875 GPRESSAVG: 4291000 33.7419 -40.1819 18.787 -41.5925 -4.31983 -1.93351 15.913 -0.909244 5.56147 TIMING: 4291000 CPU: 13568.6, 0.00316075/step Wall: 13568.6, 0.00316075/step, 0.622492 hours remaining, 235.410156 MB of memory in use. ENERGY: 4291000 3943.9443 20475.8676 14433.9125 240.1460 -203348.5991 2288.7825 0.0000 0.0000 51975.1987 -109990.7476 298.7022 -161965.9463 -109640.1363 298.5359 -98.1450 -68.7952 760550.8798 11.4866 11.6612 PRESSURE: 4291200 -364.256 -196.008 40.5894 -196.007 -330.447 -14.39 40.5894 -14.3902 -138.04 GPRESSURE: 4291200 -381.025 -193.565 42.3884 -33.5825 -281.402 -51.6706 201.66 35.0511 -79.332 PRESSAVG: 4291200 -8.67012 -88.1467 11.6157 -88.1467 16.1817 -7.45998 11.6157 -7.45992 1.4167 GPRESSAVG: 4291200 -6.88611 -88.4652 11.4143 -87.8671 14.4149 -7.12296 13.1858 -8.35964 1.24194 TIMING: 4291200 CPU: 13569.3, 0.00315393/step Wall: 13569.3, 0.00315393/step, 0.620974 hours remaining, 235.410156 MB of memory in use. ENERGY: 4291200 3944.4904 20351.9689 14505.2428 245.2549 -203497.4949 2671.4066 0.0000 0.0000 51916.9039 -109862.2274 298.3672 -161779.1314 -109496.9041 298.3971 -277.5809 -247.2531 761825.7344 2.9761 2.9236 PRESSURE: 4291400 -514.516 2.03543 132.684 2.03649 79.7082 120.809 132.684 120.808 -535.146 GPRESSURE: 4291400 -412.61 61.1075 95.4945 26.9862 105.877 117.422 39.4362 279.365 -576.389 PRESSAVG: 4291400 -40.2291 -37.9864 10.3648 -37.9863 77.1491 44.9743 10.3648 44.9742 8.74295 GPRESSAVG: 4291400 -41.8301 -36.52 11.3491 -37.4061 78.2755 47.0119 8.74754 45.4135 9.36914 TIMING: 4291400 CPU: 13569.9, 0.00316109/step Wall: 13569.9, 0.00316109/step, 0.622209 hours remaining, 235.410156 MB of memory in use. ENERGY: 4291400 3980.1772 20418.6755 14461.2487 256.2950 -203257.5058 2462.8664 0.0000 0.0000 51833.0619 -109845.1810 297.8853 -161678.2430 -109479.1796 298.1052 -323.3180 -294.3742 761388.3318 15.2210 15.2715 PRESSURE: 4291600 -144.869 -192.422 24.8716 -192.421 32.5466 111.351 24.8722 111.351 -350.106 GPRESSURE: 4291600 -88.8701 -265.068 57.543 -166.164 -10.4138 196.07 -3.7144 103.017 -272.407 PRESSAVG: 4291600 -8.40207 -68.4379 16.7376 -68.4379 -2.97922 11.5961 16.7377 11.5961 22.0554 GPRESSAVG: 4291600 -7.80711 -68.3086 14.8241 -69.5085 -3.1129 11.0404 17.3701 13.5217 21.9645 TIMING: 4291600 CPU: 13570.5, 0.00315963/step Wall: 13570.5, 0.00315963/step, 0.621744 hours remaining, 235.410156 MB of memory in use. ENERGY: 4291600 3998.9039 20378.7265 14526.1745 251.7878 -203337.1102 2526.0932 0.0000 0.0000 52129.5372 -109525.8871 299.5892 -161655.4243 -109165.5744 298.8329 -154.1430 -123.8969 762139.1054 3.5580 3.6815 PRESSURE: 4291800 311.347 -29.8751 201.267 -29.8749 -57.0375 -13.5127 201.267 -13.5118 -12.5849 GPRESSURE: 4291800 278.589 -37.2259 204.292 -47.6639 53.9718 -28.0043 80.4054 3.06307 -3.12779 PRESSAVG: 4291800 3.47436 -28.8592 -10.5396 -28.8592 12.3478 6.42395 -10.5397 6.42403 20.0603 GPRESSAVG: 4291800 4.24634 -29.9954 -9.39924 -29.1458 13.0495 5.59806 -9.22908 3.65609 18.3357 TIMING: 4291800 CPU: 13571.2, 0.00315734/step Wall: 13571.2, 0.00315734/step, 0.62112 hours remaining, 235.410156 MB of memory in use. ENERGY: 4291800 3987.9671 20451.2431 14565.9271 257.3645 -203573.7358 2677.9546 0.0000 0.0000 52130.1325 -109503.1470 299.5926 -161633.2795 -109146.7497 299.1499 80.5750 109.8111 760873.6417 11.9608 11.8772 PRESSURE: 4292000 -214.762 304.438 -166.124 304.439 -306.382 -449.917 -166.125 -449.919 96.7585 GPRESSURE: 4292000 -210.989 193.126 -258.582 292.915 -221.943 -434.594 -133.144 -358.062 118.499 PRESSAVG: 4292000 20.1674 -36.7188 -28.7946 -36.7188 -26.8282 -28.057 -28.7947 -28.0571 -21.8171 GPRESSAVG: 4292000 20.8967 -35.573 -30.0502 -36.1513 -28.22 -26.0085 -28.7963 -26.9976 -20.7448 TIMING: 4292000 CPU: 13571.8, 0.00315857/step Wall: 13571.8, 0.00315857/step, 0.621185 hours remaining, 235.410156 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: 4292000 3978.6354 20500.2679 14619.9353 231.3253 -203441.7975 2603.6664 0.0000 0.0000 51851.8597 -109656.1074 297.9934 -161507.9671 -109296.2975 298.9472 -141.4620 -104.8110 761909.4024 -9.4927 -9.3561 PRESSURE: 4292200 -182.629 -10.3217 39.4314 -10.3219 27.99 121.596 39.4301 121.597 23.3349 GPRESSURE: 4292200 -25.4929 93.3322 22.0405 -133.58 11.2981 72.9144 53.1805 210.543 -45.7445 PRESSAVG: 4292200 42.2449 -16.4911 -7.89277 -16.4911 34.2374 -20.9567 -7.89277 -20.9567 10.7468 GPRESSAVG: 4292200 41.0864 -17.8503 -8.09217 -15.0616 34.6837 -22.5753 -8.67612 -20.3698 11.2712 TIMING: 4292200 CPU: 13572.4, 0.00316244/step Wall: 13572.4, 0.00316244/step, 0.621771 hours remaining, 235.410156 MB of memory in use. ENERGY: 4292200 3988.0357 20528.7880 14538.9966 242.2008 -203798.0493 2826.6622 0.0000 0.0000 51986.2777 -109687.0884 298.7659 -161673.3661 -109326.6136 298.3605 -43.7681 -19.9798 761215.2786 29.0764 29.0138 LDB: ============= START OF LOAD BALANCING ============== 13585 LDB: ============== END OF LOAD BALANCING =============== 13585 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13585 LDB: ============= START OF LOAD BALANCING ============== 13585.3 LDB: Largest compute 7067 load 0.035261 is 18.0% of average load 0.195682 LDB: Average compute 0.004412 is 2.3% of average load 0.195682 LDB: TIME 13585.3 LOAD: AVG 0.195682 MAX 0.217978 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 13585.3 LOAD: AVG 0.195682 MAX 0.217978 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 13585.3 LOAD: AVG 0.195682 MAX 0.217978 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 13585.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13585.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 4292400 -237.292 -51.8293 -149.309 -51.8288 -233.326 -39.565 -149.31 -39.5648 2.72091 GPRESSURE: 4292400 -193.093 -71.4646 -212.273 37.904 -200.051 -91.0517 7.82209 -8.20358 3.88346 PRESSAVG: 4292400 -50.2052 -0.952411 -7.59619 -0.952394 65.9837 20.6355 -7.59615 20.6355 -0.960269 GPRESSAVG: 4292400 -50.0661 -1.86725 -7.06934 -1.07941 65.9295 21.1304 -6.47469 19.9105 -1.1358 TIMING: 4292400 CPU: 13573.1, 0.00322675/step Wall: 13573.1, 0.00322675/step, 0.634237 hours remaining, 235.652344 MB of memory in use. ENERGY: 4292400 3971.4746 20481.3823 14559.3528 252.9162 -203317.8867 2377.2196 0.0000 0.0000 52047.1372 -109628.4041 299.1156 -161675.5412 -109270.8620 298.9395 -155.9656 -129.7535 759756.5205 4.9394 4.9092 PRESSURE: 4292600 -46.4027 46.5031 212.909 46.5031 -2.90548 38.2317 212.91 38.232 -181.597 GPRESSURE: 4292600 -67.9977 38.469 179.355 17.9018 81.2861 125.208 190.725 -44.5401 -160.43 PRESSAVG: 4292600 -65.6654 -9.7488 -9.62256 -9.74876 49.7679 25.6224 -9.62264 25.6225 -13.9812 GPRESSAVG: 4292600 -65.7266 -8.95112 -10.9648 -8.69237 49.2838 25.8923 -9.17349 26.8552 -14.1622 TIMING: 4292600 CPU: 13573.7, 0.0031584/step Wall: 13573.7, 0.0031584/step, 0.620626 hours remaining, 235.894531 MB of memory in use. ENERGY: 4292600 3936.9677 20493.7770 14498.1710 245.9559 -202988.4910 2457.1272 0.0000 0.0000 51994.8060 -109361.6861 298.8149 -161356.4922 -108994.2001 298.9863 -76.9684 -49.0471 762428.4898 -9.9595 -10.2017 PRESSURE: 4292800 53.1571 23.6161 -87.5505 23.6158 -273.02 416.799 -87.5511 416.798 48.2784 GPRESSURE: 4292800 103.387 -62.4064 -100.625 -20.7936 -190.267 484.091 -30.9293 301.537 21.3497 PRESSAVG: 4292800 -33.585 -38.7076 4.47577 -38.7076 14.1245 43.1712 4.47572 43.1712 -13.326 GPRESSAVG: 4292800 -34.9314 -39.5328 6.67586 -37.4384 14.3811 43.0277 2.86068 40.7726 -12.3491 TIMING: 4292800 CPU: 13574.3, 0.00317939/step Wall: 13574.3, 0.00317939/step, 0.624574 hours remaining, 235.894531 MB of memory in use. ENERGY: 4292800 3947.8281 20502.6333 14511.4814 241.2489 -203114.7238 2561.0256 0.0000 0.0000 52084.7661 -109265.7403 299.3319 -161350.5065 -108903.4797 298.9080 -57.1947 -21.8434 761988.1143 -10.9288 -10.9665 PRESSURE: 4293000 -419.57 -48.3253 156.317 -48.3253 -56.5371 -226.911 156.317 -226.913 -454.317 GPRESSURE: 4293000 -420.709 -31.945 106.865 88.6718 -4.38926 -297.987 85.4895 -94.3313 -426.859 PRESSAVG: 4293000 -40.9932 -15.9989 7.72594 -15.9989 59.8656 -36.8383 7.72594 -36.8382 6.67121 GPRESSAVG: 4293000 -39.7964 -17.1046 6.48318 -16.7072 60.4717 -37.0428 6.4425 -36.4693 4.75418 TIMING: 4293000 CPU: 13575, 0.00317347/step Wall: 13575, 0.00317347/step, 0.623233 hours remaining, 235.964844 MB of memory in use. ENERGY: 4293000 4009.4313 20754.0085 14425.6168 255.1420 -203366.1554 2572.3498 0.0000 0.0000 52074.9921 -109274.6150 299.2757 -161349.6071 -108914.6712 299.2713 -310.1415 -283.9856 761135.4839 8.5145 8.4765 PRESSURE: 4293200 -341.636 -106.991 -92.8613 -106.991 -341.933 -138.803 -92.8618 -138.805 180.681 GPRESSURE: 4293200 -265.399 -166.257 -59.1978 -175.665 -315.738 -96.4797 -80.6495 -190.445 182.341 PRESSAVG: 4293200 -58.5209 -41.7063 -74.6266 -41.7063 49.5754 5.1529 -74.6266 5.1528 2.69456 GPRESSAVG: 4293200 -57.7757 -38.0255 -73.9302 -43.8698 47.8232 6.10984 -72.4318 7.37298 3.59176 TIMING: 4293200 CPU: 13575.6, 0.0031685/step Wall: 13575.6, 0.0031685/step, 0.622083 hours remaining, 236.066406 MB of memory in use. ENERGY: 4293200 3993.7361 20396.0164 14471.6828 221.4292 -203071.5913 2406.2154 0.0000 0.0000 52235.1806 -109347.3306 300.1963 -161582.5112 -108976.7044 299.3743 -167.6293 -132.9323 761736.8914 -2.0836 -2.1203 PRESSURE: 4293400 -99.151 31.924 -9.86075 31.9242 -114.357 213.343 -9.86167 213.343 -262.502 GPRESSURE: 4293400 -46.7193 73.698 51.5785 -54.8511 -114.828 192.9 -128.342 79.0934 -224.394 PRESSAVG: 4293400 -8.19968 -19.8862 29.2293 -19.8862 42.6921 27.3106 29.2292 27.3107 5.02163 GPRESSAVG: 4293400 -9.93946 -22.4196 29.7396 -20.8915 43.9233 27.2445 28.3275 25.8979 5.00164 TIMING: 4293400 CPU: 13576.2, 0.003183/step Wall: 13576.2, 0.003183/step, 0.624752 hours remaining, 236.269531 MB of memory in use. ENERGY: 4293400 3895.4706 20606.0607 14416.0461 255.5709 -203275.5564 2561.0181 0.0000 0.0000 52259.1591 -109282.2309 300.3341 -161541.3900 -108916.9604 299.6372 -158.6700 -128.6472 761225.0436 13.1713 12.9952 PRESSURE: 4293600 157.277 -104.023 -78.4812 -104.023 -120.749 -398.585 -78.4806 -398.584 -408.932 GPRESSURE: 4293600 117.743 -17.3716 -38.1594 -265.679 -32.9441 -405.303 -185.111 -224.753 -378.43 PRESSAVG: 4293600 53.2779 4.81062 -25.4969 4.8106 -12.8173 -22.1339 -25.4968 -22.1337 12.8408 GPRESSAVG: 4293600 53.0433 7.59234 -26.3854 5.84636 -13.2822 -21.7514 -24.1851 -22.26 13.1248 TIMING: 4293600 CPU: 13576.9, 0.00317301/step Wall: 13576.9, 0.00317301/step, 0.622615 hours remaining, 236.269531 MB of memory in use. ENERGY: 4293600 4039.4672 20437.0671 14448.4759 226.3628 -202903.9367 2568.7857 0.0000 0.0000 52241.5619 -108942.2161 300.2330 -161183.7780 -108578.6746 299.5649 -124.1348 -97.8770 759815.6683 17.7671 17.6287 PRESSURE: 4293800 85.222 12.8476 -162.86 12.8468 -192.337 -263.053 -162.861 -263.053 99.8174 GPRESSURE: 4293800 76.9245 -1.18818 -157.885 -53.5605 -93.0434 -158.406 -202.675 -370.16 102.234 PRESSAVG: 4293800 23.9496 -32.9796 -65.0532 -32.9796 -13.521 -73.4647 -65.0533 -73.4646 1.00139 GPRESSAVG: 4293800 23.9379 -35.4071 -65.6498 -32.8156 -12.7395 -74.0926 -66.4423 -71.9935 0.248289 TIMING: 4293800 CPU: 13577.5, 0.00317843/step Wall: 13577.5, 0.00317843/step, 0.623503 hours remaining, 236.269531 MB of memory in use. ENERGY: 4293800 4025.3612 20418.7709 14479.3368 226.0774 -202578.6819 2238.1196 0.0000 0.0000 52209.0265 -108981.9895 300.0460 -161191.0160 -108618.7623 300.0358 -2.4324 28.7051 761540.9918 3.8100 3.8155 PRESSURE: 4294000 -221.491 -101.933 -314.965 -101.933 -279.77 75.8052 -314.965 75.8064 -101.743 GPRESSURE: 4294000 -166.053 -137.646 -322.782 -127.955 -261.668 125.852 -182.207 92.2066 -91.6789 PRESSAVG: 4294000 -3.85672 -39.1428 -31.4252 -39.1428 -22.9747 -30.987 -31.4253 -30.9869 -15.7181 GPRESSAVG: 4294000 -4.72168 -38.4965 -30.9903 -38.1737 -21.403 -30.1166 -29.2931 -32.0638 -16.4223 TIMING: 4294000 CPU: 13578.1, 0.00317148/step Wall: 13578.1, 0.00317148/step, 0.621962 hours remaining, 236.269531 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: 4294000 4020.4561 20474.8108 14481.3309 245.1467 -203044.2255 2297.7743 0.0000 0.0000 52429.9911 -109094.7156 301.3159 -161524.7067 -108723.8248 299.8435 -201.0015 -173.1330 760470.8894 -14.1832 -14.1823 PRESSURE: 4294200 -51.3984 -35.8361 159.015 -35.8358 36.0163 -100.472 159.015 -100.472 -204.793 GPRESSURE: 4294200 43.6425 -52.7478 87.6847 -82.3281 49.6332 -96.4872 156.635 -204.331 -219.128 PRESSAVG: 4294200 21.9427 -58.2427 -32.9305 -58.2427 -13.4629 -42.5592 -32.9306 -42.5592 -13.9192 GPRESSAVG: 4294200 23.8721 -57.5012 -31.6464 -61.2245 -15.9381 -43.6059 -34.0226 -40.9254 -12.8956 TIMING: 4294200 CPU: 13578.8, 0.00317377/step Wall: 13578.8, 0.00317377/step, 0.622236 hours remaining, 236.269531 MB of memory in use. ENERGY: 4294200 3926.6433 20602.9076 14490.2009 244.5252 -203001.5452 2295.6314 0.0000 0.0000 52179.5119 -109262.1250 299.8764 -161441.6369 -108893.5329 299.7899 -73.3916 -41.9507 761217.3809 -1.8131 -1.6539 PRESSURE: 4294400 158.531 -150.829 59.2679 -150.828 324.113 -210.311 59.2687 -210.311 122.761 GPRESSURE: 4294400 216.291 -27.5797 101.636 -117.121 294.453 -139.979 40.2573 -226.328 193.845 PRESSAVG: 4294400 78.4721 -46.9275 24.695 -46.9275 -45.4899 -42.0519 24.695 -42.0519 -0.0941366 GPRESSAVG: 4294400 77.966 -47.8029 24.6746 -43.8633 -45.0299 -41.9348 23.5928 -42.4236 -0.159616 TIMING: 4294400 CPU: 13579.4, 0.00318278/step Wall: 13579.4, 0.00318278/step, 0.623825 hours remaining, 236.269531 MB of memory in use. ENERGY: 4294400 3963.6964 20549.3100 14513.3306 244.2562 -203386.3265 2679.3371 0.0000 0.0000 52158.3100 -109278.0861 299.7545 -161436.3961 -108909.6641 299.8995 201.8017 234.8630 760531.8915 10.9627 10.9255 PRESSURE: 4294600 81.71 250.289 -140.3 250.288 18.0484 12.8885 -140.298 12.889 122.819 GPRESSURE: 4294600 104.306 189.636 -195.974 99.6988 38.7443 85.4154 27.2672 -5.60943 173.227 PRESSAVG: 4294600 28.9874 -10.2212 -1.69781 -10.2212 -21.2954 30.04 -1.69779 30.04 4.46941 GPRESSAVG: 4294600 27.9674 -10.1802 -4.97214 -11.0397 -20.4583 32.1884 -0.522886 27.9745 4.1812 TIMING: 4294600 CPU: 13580.1, 0.00318362/step Wall: 13580.1, 0.00318362/step, 0.623812 hours remaining, 236.269531 MB of memory in use. ENERGY: 4294600 3988.7453 20527.8674 14444.2981 247.8309 -203689.2434 2830.3111 0.0000 0.0000 52287.5039 -109362.6868 300.4970 -161650.1907 -108992.3954 299.2338 74.1925 105.4260 761057.8360 4.0538 3.8968 PRESSURE: 4294800 -202.923 -168.983 -77.1051 -168.983 281.809 23.8694 -77.1055 23.8693 -6.14617 GPRESSURE: 4294800 -136.751 -179.482 -99.4484 -149.482 331.462 21.0324 -3.87009 23.4512 -27.5464 PRESSAVG: 4294800 11.1677 -89.2524 3.60566 -89.2524 -8.97009 2.18855 3.60564 2.18857 -12.92 GPRESSAVG: 4294800 11.3436 -88.8541 6.2254 -89.6863 -8.63892 2.04852 4.41815 2.81368 -12.6474 TIMING: 4294800 CPU: 13580.7, 0.00319418/step Wall: 13580.7, 0.00319418/step, 0.625704 hours remaining, 236.269531 MB of memory in use. ENERGY: 4294800 3969.5457 20612.4384 14451.3502 255.9023 -203602.1580 2765.5574 0.0000 0.0000 52282.9518 -109264.4121 300.4708 -161547.3639 -108899.0345 299.4224 24.2466 55.7214 762439.3105 -3.5742 -3.3142 PRESSURE: 4295000 -72.0547 45.7831 231.954 45.7844 291.219 -104.557 231.953 -104.558 -129.819 GPRESSURE: 4295000 -2.32618 62.8441 269.765 198.044 235.078 -154.72 167.984 -16.8437 -63.6642 PRESSAVG: 4295000 -24.0494 -59.4615 -8.07105 -59.4615 27.5679 -51.9724 -8.07102 -51.9725 15.9346 GPRESSAVG: 4295000 -24.3279 -60.4069 -6.32689 -59.7391 26.7488 -51.886 -8.48193 -52.3146 16.3475 TIMING: 4295000 CPU: 13581.3, 0.00317558/step Wall: 13581.3, 0.00317558/step, 0.621884 hours remaining, 236.269531 MB of memory in use. ENERGY: 4295000 3999.1627 20709.2495 14520.3515 266.7183 -203633.8191 2666.8843 0.0000 0.0000 52295.1812 -109176.2716 300.5411 -161471.4528 -108811.3710 299.7792 29.7819 56.3626 761415.6886 6.4844 6.2561 PRESSURE: 4295200 -419.048 122.858 18.2612 122.858 57.5509 -12.337 18.2614 -12.3365 -53.6857 GPRESSURE: 4295200 -318.633 102.016 109.36 23.1729 81.2866 -25.6648 -26.5459 39.7216 -79.6735 PRESSAVG: 4295200 49.0398 -57.6188 -3.4938 -57.6188 -12.2701 11.8666 -3.49388 11.8666 14.7558 GPRESSAVG: 4295200 49.4056 -57.1211 -4.06327 -57.6594 -12.3115 10.7756 -3.80626 13.1551 15.0187 TIMING: 4295200 CPU: 13582, 0.00320453/step Wall: 13582, 0.00320453/step, 0.627376 hours remaining, 236.269531 MB of memory in use. ENERGY: 4295200 3969.4898 20716.3926 14498.0331 258.1543 -203388.5196 2505.2436 0.0000 0.0000 52401.8429 -109039.3633 301.1541 -161441.2062 -108671.1585 300.5912 -138.3943 -105.6732 761078.7175 17.1752 17.3709 PRESSURE: 4295400 -34.5123 -29.8124 68.0943 -29.8125 -267.487 -242.144 68.0945 -242.144 -181.573 GPRESSURE: 4295400 37.5736 11.9885 64.116 -74.2822 -309.281 -181.351 126.687 -224.138 -134.095 PRESSAVG: 4295400 7.40775 -21.5361 12.3683 -21.536 21.1004 18.6615 12.3683 18.6614 0.353827 GPRESSAVG: 4295400 8.28852 -22.9507 10.2031 -21.2667 19.7307 18.5498 14.2425 19.6522 0.447864 TIMING: 4295400 CPU: 13582.6, 0.00315816/step Wall: 13582.6, 0.00315816/step, 0.618123 hours remaining, 236.269531 MB of memory in use. ENERGY: 4295400 4014.2666 20534.3415 14490.9492 248.5021 -203203.7715 2276.3040 0.0000 0.0000 52232.0604 -109407.3477 300.1784 -161639.4081 -109045.2739 299.9305 -161.1905 -135.2677 760975.0232 9.6207 9.4890 PRESSURE: 4295600 -196.139 114.879 66.6628 114.879 24.2071 -47.259 66.6622 -47.2593 -429.273 GPRESSURE: 4295600 -172.864 66.7239 -10.4076 202.68 14.2625 1.84286 42.9906 -23.7716 -347.172 PRESSAVG: 4295600 36.8153 -38.9024 -23.0133 -38.9024 -17.4455 -38.0369 -23.0132 -38.037 3.30219 GPRESSAVG: 4295600 35.8346 -36.7408 -21.1309 -40.1838 -16.1901 -37.7494 -24.7493 -39.0054 3.00795 TIMING: 4295600 CPU: 13583.2, 0.0031629/step Wall: 13583.2, 0.0031629/step, 0.618875 hours remaining, 236.269531 MB of memory in use. ENERGY: 4295600 4149.6649 20432.3190 14497.5629 260.1882 -203174.1388 2401.2251 0.0000 0.0000 52319.5856 -109113.5931 300.6814 -161433.1787 -108751.4887 299.9015 -200.4015 -168.5911 759635.4722 7.5574 7.5508 PRESSURE: 4295800 -273.031 -87.4886 -296.945 -87.4885 109.574 -394.588 -296.946 -394.587 320.785 GPRESSURE: 4295800 -260.615 -102.868 -203.675 -41.3887 127.119 -329.926 -298.073 -462.73 353.633 PRESSAVG: 4295800 12.4765 -54.7756 29.3687 -54.7756 -53.2288 14.2462 29.3686 14.2464 -6.61974 GPRESSAVG: 4295800 12.9069 -53.8992 29.4595 -54.0381 -53.4479 14.3279 28.2319 13.5943 -7.21203 TIMING: 4295800 CPU: 13583.9, 0.00316252/step Wall: 13583.9, 0.00316252/step, 0.618624 hours remaining, 236.269531 MB of memory in use. ENERGY: 4295800 3952.0891 20511.4510 14512.4925 254.3088 -203274.3081 2607.8238 0.0000 0.0000 52311.3514 -109124.7915 300.6341 -161436.1430 -108768.8886 300.1270 52.4428 73.3788 760213.0890 -15.7907 -15.9177 PRESSURE: 4296000 194.235 137.188 -100.38 137.187 203.176 -115.596 -100.38 -115.595 97.2599 GPRESSURE: 4296000 295.739 52.6784 -73.3607 93.8574 192.414 -155.228 -90.4471 -85.6647 101.614 PRESSAVG: 4296000 46.8242 -9.74078 37.4427 -9.74075 20.742 -14.6507 37.4427 -14.6507 -9.46633 GPRESSAVG: 4296000 45.9297 -10.626 36.9335 -10.3012 22.1694 -13.7565 38.8796 -17.9795 -10.0154 TIMING: 4296000 CPU: 13584.5, 0.00316323/step Wall: 13584.5, 0.00316323/step, 0.618587 hours remaining, 236.269531 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: 4296000 3987.0464 20473.2207 14547.2760 258.4016 -203367.8656 2705.9268 0.0000 0.0000 52187.8817 -109208.1123 299.9245 -161395.9941 -108849.1327 299.5538 164.8904 196.5889 759636.1581 19.3666 19.3613 PRESSURE: 4296200 86.9629 121.665 56.6372 121.666 93.0237 -0.844435 56.6371 -0.844001 246.924 GPRESSURE: 4296200 113.302 72.15 -6.96028 242.002 184.304 -19.3112 86.8923 -53.4839 227.224 PRESSAVG: 4296200 -6.20632 2.66589 22.276 2.66587 11.3321 -21.2072 22.276 -21.2073 4.13932 GPRESSAVG: 4296200 -5.89204 1.42728 21.874 6.10293 11.0578 -22.4079 22.2215 -19.0955 3.85553 TIMING: 4296200 CPU: 13585.1, 0.00316/step Wall: 13585.1, 0.00316/step, 0.61778 hours remaining, 236.269531 MB of memory in use. ENERGY: 4296200 4001.3214 20649.2095 14440.2786 253.4545 -203269.6290 2759.6352 0.0000 0.0000 52007.4792 -109158.2507 298.8877 -161165.7299 -108807.3262 299.5182 142.3034 174.9436 761163.1385 3.0884 3.0071 LDB: ============= START OF LOAD BALANCING ============== 13597.7 LDB: ============== END OF LOAD BALANCING =============== 13597.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13597.7 LDB: ============= START OF LOAD BALANCING ============== 13598 LDB: Largest compute 7067 load 0.035456 is 18.1% of average load 0.195512 LDB: Average compute 0.004408 is 2.3% of average load 0.195512 LDB: TIME 13598 LOAD: AVG 0.195512 MAX 0.214243 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.664 MB LDB: TIME 13598 LOAD: AVG 0.195512 MAX 0.214243 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: TIME 13598 LOAD: AVG 0.195512 MAX 0.214243 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.664 MB LDB: ============== END OF LOAD BALANCING =============== 13598 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13598 PRESSURE: 4296400 -127.455 -81.584 20.8572 -81.5836 -725.511 228.102 20.8557 228.101 -452.541 GPRESSURE: 4296400 -208.691 -174.314 14.3651 -164.506 -535.524 254.351 -10.8434 166.202 -478.511 PRESSAVG: 4296400 -68.1059 -2.61983 -3.54854 -2.61988 18.361 -11.0723 -3.54865 -11.0724 -6.06388 GPRESSAVG: 4296400 -68.4031 -2.94698 -1.58955 -3.89784 17.7689 -10.0508 -5.95793 -11.7325 -4.76854 TIMING: 4296400 CPU: 13585.8, 0.00323076/step Wall: 13585.8, 0.00323076/step, 0.631433 hours remaining, 237.453125 MB of memory in use. ENERGY: 4296400 3995.0305 20666.1193 14483.6361 231.8302 -203198.1097 2450.5179 0.0000 0.0000 52172.3632 -109198.6126 299.8353 -161370.9758 -108835.2064 299.5693 -435.1689 -407.5752 763106.1653 -18.6029 -18.4676 PRESSURE: 4296600 -417.689 -56.7936 -33.3141 -56.7938 107.249 9.68662 -33.3153 9.68606 182.594 GPRESSURE: 4296600 -359.121 -111.068 39.0494 -41.3973 189.338 -42.5821 -156.764 98.3183 125.51 PRESSAVG: 4296600 9.48807 5.05855 21.6235 5.05857 32.4613 47.7219 21.6234 47.7219 6.42638 GPRESSAVG: 4296600 8.337 3.55179 21.4996 4.30386 33.48 46.0218 24.433 50.2945 6.66897 TIMING: 4296600 CPU: 13586.4, 0.00317964/step Wall: 13586.4, 0.00317964/step, 0.621267 hours remaining, 237.578125 MB of memory in use. ENERGY: 4296600 3927.0027 20441.1064 14522.6825 249.6482 -203140.5968 2676.1220 0.0000 0.0000 52075.4200 -109248.6150 299.2782 -161324.0350 -108883.2246 299.5025 -42.6154 -14.7576 761610.4925 16.1252 16.1620 PRESSURE: 4296800 -44.2299 -156.99 -56.661 -156.989 -157.612 72.2118 -56.6601 72.2117 339.688 GPRESSURE: 4296800 -72.016 -111.686 -27.267 -167.924 -51.4529 21.5848 -127.972 -67.1585 344.094 PRESSAVG: 4296800 -30.7021 -19.5013 -12.067 -19.5014 31.2503 0.100515 -12.067 0.100538 4.76675 GPRESSAVG: 4296800 -29.8422 -18.0929 -14.8324 -19.1567 30.2427 0.115474 -13.0913 -3.41944 4.6419 TIMING: 4296800 CPU: 13587.1, 0.00318265/step Wall: 13587.1, 0.00318265/step, 0.621678 hours remaining, 237.578125 MB of memory in use. ENERGY: 4296800 3979.5254 20287.6777 14523.1035 248.1511 -202992.7285 2563.1360 0.0000 0.0000 52140.4076 -109250.7272 299.6516 -161391.1348 -108888.6293 299.6478 45.9487 73.5417 762023.2635 1.7716 1.6808 PRESSURE: 4297000 -329.821 19.8735 10.1061 19.874 55.7212 31.5652 10.107 31.565 -12.7754 GPRESSURE: 4297000 -271.542 55.1611 -23.4269 -133.694 137.254 -19.5343 102.257 135.678 -57.8532 PRESSAVG: 4297000 -42.5746 6.13529 -9.06548 6.13528 7.22198 7.94697 -9.0654 7.94695 4.78815 GPRESSAVG: 4297000 -44.3989 4.70892 -5.82102 6.59597 7.88735 7.14157 -9.63621 9.45483 6.17552 TIMING: 4297000 CPU: 13587.7, 0.00319971/step Wall: 13587.7, 0.00319971/step, 0.624833 hours remaining, 237.578125 MB of memory in use. ENERGY: 4297000 3996.2692 20286.0143 14518.4306 236.8524 -203349.9950 2826.8777 0.0000 0.0000 52149.6968 -109335.8539 299.7050 -161485.5507 -108963.5959 299.6287 -95.6252 -64.0470 763525.6988 -10.1882 -10.1120 PRESSURE: 4297200 -349.057 81.9977 133.361 81.9983 -109.211 -119.326 133.361 -119.327 -7.47038 GPRESSURE: 4297200 -208.642 49.7251 93.8665 216.418 -144.362 -135.462 97.1783 -112.039 -33.1683 PRESSAVG: 4297200 2.10147 -26.2685 13.568 -26.2685 7.51634 -5.04249 13.5681 -5.04249 -10.3329 GPRESSAVG: 4297200 3.50656 -23.6133 12.5255 -27.5619 6.5366 -5.57723 11.9162 -4.78519 -11.2789 TIMING: 4297200 CPU: 13588.3, 0.00318633/step Wall: 13588.3, 0.00318633/step, 0.622043 hours remaining, 237.578125 MB of memory in use. ENERGY: 4297200 3978.9434 20506.4708 14505.0762 225.4051 -203120.0704 2527.1913 0.0000 0.0000 51947.6333 -109429.3502 298.5438 -161376.9835 -109077.0078 299.6842 -155.2463 -128.7244 761338.3412 -0.2384 -0.4119 PRESSURE: 4297400 -278.683 -221.69 -183.506 -221.69 -55.6145 258.868 -183.507 258.867 562.958 GPRESSURE: 4297400 -212.385 -181.342 -175.158 -198.986 5.36908 130.547 -214.464 295.404 539.483 PRESSAVG: 4297400 -37.2337 25.0239 -30.5882 25.0239 56.9677 16.6166 -30.5882 16.6165 13.0352 GPRESSAVG: 4297400 -36.8837 23.7309 -31.9011 25.7074 57.7998 18.5173 -29.2224 16.0925 12.5198 TIMING: 4297400 CPU: 13589, 0.00317882/step Wall: 13589, 0.00317882/step, 0.620399 hours remaining, 237.757812 MB of memory in use. ENERGY: 4297400 4042.9560 20338.1793 14528.5838 258.2509 -202940.3345 2324.4970 0.0000 0.0000 51909.6516 -109538.2159 298.3255 -161447.8675 -109183.0533 298.6950 76.2203 110.8226 760177.9528 10.9231 11.1453 PRESSURE: 4297600 -285.314 -66.5932 -139.332 -66.5933 -197.006 34.9805 -139.332 34.9814 109.32 GPRESSURE: 4297600 -262.909 -48.9503 -95.8145 -17.9517 -173.901 -2.11763 -38.5238 151.965 138.443 PRESSAVG: 4297600 -8.23509 -11.5923 4.14183 -11.5923 28.0447 7.41402 4.14178 7.41408 -0.463393 GPRESSAVG: 4297600 -9.01436 -12.7416 5.8202 -12.9853 28.3628 6.78165 4.14947 6.55437 -0.0165298 TIMING: 4297600 CPU: 13589.6, 0.00317125/step Wall: 13589.6, 0.00317125/step, 0.618746 hours remaining, 237.757812 MB of memory in use. ENERGY: 4297600 4005.7241 20396.0626 14563.8735 228.3418 -203094.0032 2471.5291 0.0000 0.0000 51938.1121 -109490.3600 298.4890 -161428.4721 -109130.6990 298.8161 -124.3337 -99.4557 761869.3648 6.4487 6.4440 PRESSURE: 4297800 162.198 301.606 173.499 301.605 5.13441 99.0317 173.498 99.0324 -222.05 GPRESSURE: 4297800 167.07 336.477 121.041 250.888 94.4739 97.606 43.3246 72.4881 -240.015 PRESSAVG: 4297800 53.2228 -40.7707 13.4288 -40.7707 -16.0963 31.9138 13.4288 31.9138 -8.01815 GPRESSAVG: 4297800 52.5532 -39.9609 11.9273 -39.9975 -15.9706 32.7303 12.5951 33.2918 -8.58966 TIMING: 4297800 CPU: 13590.2, 0.00316999/step Wall: 13590.2, 0.00316998/step, 0.618323 hours remaining, 237.757812 MB of memory in use. ENERGY: 4297800 3975.4033 20538.2545 14540.7238 266.0441 -203279.8658 2687.0584 0.0000 0.0000 51804.1472 -109468.2344 297.7191 -161272.3816 -109100.9173 298.9421 -18.2391 7.1763 761955.9935 9.7028 9.3310 PRESSURE: 4298000 -51.8735 47.6118 55.0177 47.6124 -190.551 -65.0112 55.0183 -65.0113 -205.789 GPRESSURE: 4298000 19.3367 71.1482 33.5014 94.8053 -179.18 -123.713 30.439 -112.208 -184.536 PRESSAVG: 4298000 65.608 11.3885 -24.3081 11.3885 -74.3711 24.6528 -24.3081 24.6527 23.8635 GPRESSAVG: 4298000 66.6095 12.7352 -24.489 9.51776 -75.0328 23.9651 -23.6061 24.7024 23.1594 TIMING: 4298000 CPU: 13590.9, 0.00317754/step Wall: 13590.9, 0.00317754/step, 0.619621 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: 4298000 3951.6074 20430.7585 14542.6538 247.4803 -202864.5115 2215.8818 0.0000 0.0000 51815.8705 -109660.2592 297.7865 -161476.1296 -109298.2412 298.5311 -149.4044 -114.7931 761282.6259 5.0335 4.9120 PRESSURE: 4298200 239.456 100.246 33.3869 100.246 145.967 -5.52999 33.3871 -5.52925 -359.59 GPRESSURE: 4298200 178.348 160.503 -37.9008 15.6482 214.72 15.4747 153.051 16.5124 -262.993 PRESSAVG: 4298200 32.9848 10.3629 44.2922 10.3629 -49.2251 -28.7566 44.2922 -28.7566 1.27396 GPRESSAVG: 4298200 31.5348 10.8647 45.0162 10.7051 -49.0761 -28.8135 43.7648 -28.7176 2.55051 TIMING: 4298200 CPU: 13591.5, 0.00315392/step Wall: 13591.5, 0.00315392/step, 0.614839 hours remaining, 237.757812 MB of memory in use. ENERGY: 4298200 4005.2470 20449.9690 14502.7433 280.6137 -203662.2698 2703.9424 0.0000 0.0000 52171.5077 -109548.2468 299.8304 -161719.7544 -109187.2815 298.8449 8.6108 43.3585 759608.5077 -4.9888 -4.9969 PRESSURE: 4298400 162.544 5.67263 71.6476 5.67246 31.5119 72.8121 71.6478 72.813 104.524 GPRESSURE: 4298400 159.95 177.302 92.7669 -8.59204 105.647 -4.00808 121.273 59.6324 133.81 PRESSAVG: 4298400 -37.3721 26.3704 11.0771 26.3704 25.7232 30.106 11.0771 30.1061 -9.24606 GPRESSAVG: 4298400 -37.9202 26.5203 10.307 27.7761 25.3663 30.6194 12.4972 28.6168 -7.72329 TIMING: 4298400 CPU: 13592.1, 0.00316473/step Wall: 13592.1, 0.00316473/step, 0.61677 hours remaining, 237.757812 MB of memory in use. ENERGY: 4298400 3903.0305 20360.3061 14438.2905 246.1933 -202856.1696 2301.4338 0.0000 0.0000 51663.1180 -109943.7974 296.9086 -161606.9155 -109585.4119 298.0488 99.5266 133.1356 762034.7187 -6.9650 -6.7590 PRESSURE: 4298600 -183.887 -145.207 69.8548 -145.206 -85.6451 -205.093 69.8545 -205.091 -152.768 GPRESSURE: 4298600 -89.8021 -182.383 21.4194 -132.953 11.1352 -147.086 -14.897 -192.6 -238.541 PRESSAVG: 4298600 22.8644 -48.8148 16.6556 -48.8148 -35.4538 18.9011 16.6556 18.9011 29.3597 GPRESSAVG: 4298600 24.2869 -49.9977 18.0022 -49.579 -34.6039 19.4123 16.71 20.8313 27.1058 TIMING: 4298600 CPU: 13592.8, 0.00317958/step Wall: 13592.8, 0.00317958/step, 0.619488 hours remaining, 237.757812 MB of memory in use. ENERGY: 4298600 3979.6611 20456.1489 14465.0772 238.2227 -202970.3921 2352.8803 0.0000 0.0000 51906.7634 -109571.6385 298.3089 -161478.4019 -109218.4434 298.4788 -140.7665 -105.7361 761418.8157 5.5901 5.5963 PRESSURE: 4298800 7.08569 -23.4514 -136.257 -23.4527 -215.287 -67.1187 -136.258 -67.1193 -19.8327 GPRESSURE: 4298800 47.8488 -85.2092 -82.4557 -13.8171 -234.561 -8.4061 -192.813 -4.5669 40.8924 PRESSAVG: 4298800 -29.323 -23.5434 35.4415 -23.5435 8.56967 11.8629 35.4416 11.8629 -2.30572 GPRESSAVG: 4298800 -29.3977 -23.3029 36.2762 -24.5611 7.37602 11.0163 33.0039 11.3967 -1.17299 TIMING: 4298800 CPU: 13593.4, 0.0031811/step Wall: 13593.4, 0.0031811/step, 0.619608 hours remaining, 237.757812 MB of memory in use. ENERGY: 4298800 4002.3194 20462.2944 14455.6420 247.4159 -203405.4761 2632.5924 0.0000 0.0000 52045.3660 -109559.8460 299.1054 -161605.2120 -109199.7717 298.9143 -76.0113 -48.6066 762798.5134 -7.6863 -7.7316 PRESSURE: 4299000 -150.414 -16.7928 306.019 -16.7926 -310.389 154.089 306.019 154.088 -171.921 GPRESSURE: 4299000 -155.72 -98.5269 316.522 -84.2146 -312.804 164.862 259.355 270.793 -83.5665 PRESSAVG: 4299000 2.39884 -5.24475 32.3502 -5.24476 50.4265 38.6182 32.3502 38.6181 5.34645 GPRESSAVG: 4299000 1.7442 -6.41574 31.0763 -4.16162 50.6522 38.0652 32.0888 40.5099 5.56246 TIMING: 4299000 CPU: 13594, 0.00317347/step Wall: 13594, 0.00317347/step, 0.617946 hours remaining, 237.757812 MB of memory in use. ENERGY: 4299000 3973.7980 20545.8155 14539.5246 243.7497 -203077.7946 2432.4811 0.0000 0.0000 51872.5900 -109469.8357 298.1125 -161342.4257 -109114.8507 298.9789 -210.9078 -184.0299 760588.8874 19.3906 19.3196 PRESSURE: 4299200 -5.2441 56.3338 -130.896 56.3335 51.7067 92.9749 -130.896 92.9755 -15.5581 GPRESSURE: 4299200 39.8746 70.4303 -138.418 -28.6069 70.1526 62.4017 -125.364 43.4702 18.8284 PRESSAVG: 4299200 -70.1015 -9.25546 15.5677 -9.25537 60.3083 48.6927 15.5678 48.6926 11.409 GPRESSAVG: 4299200 -69.8389 -9.14048 16.702 -9.30242 59.7258 49.6551 16.2322 46.8962 11.5249 TIMING: 4299200 CPU: 13594.7, 0.00316506/step Wall: 13594.7, 0.00316506/step, 0.616131 hours remaining, 237.828125 MB of memory in use. ENERGY: 4299200 3919.7035 20484.3773 14495.6158 246.8708 -202947.2645 2274.9778 0.0000 0.0000 51996.7135 -109529.0056 298.8258 -161525.7192 -109164.4284 298.9329 10.3015 42.9519 759325.2955 0.5386 0.4706 PRESSURE: 4299400 -149.126 -174.952 74.4787 -174.952 229.345 44.6014 74.4785 44.6013 295.714 GPRESSURE: 4299400 -126.637 -128.689 52.2804 -212.192 250.139 -1.58926 106.713 -27.8138 336.609 PRESSAVG: 4299400 -28.3072 14.0533 25.4776 14.0533 7.98008 -0.0411008 25.4776 -0.0411452 4.52695 GPRESSAVG: 4299400 -29.3758 14.3797 23.8167 13.4428 9.69908 -0.517001 27.948 1.06504 3.55885 TIMING: 4299400 CPU: 13595.3, 0.00319143/step Wall: 13595.3, 0.00319143/step, 0.621087 hours remaining, 237.828125 MB of memory in use. ENERGY: 4299400 3956.3793 20569.0297 14526.5552 240.6130 -203556.3245 2655.9207 0.0000 0.0000 52034.7430 -109573.0835 299.0444 -161607.8265 -109216.3075 298.9389 125.3109 153.3702 759211.7650 -5.2667 -5.3726 PRESSURE: 4299600 246.971 -10.8541 -170.41 -10.854 -31.9855 63.6335 -170.41 63.6338 225.254 GPRESSURE: 4299600 232.121 -18.3772 -142.852 -65.4704 92.9741 150.589 -102.264 -82.4619 214.325 PRESSAVG: 4299600 -7.63613 -44.9003 5.96374 -44.9003 61.8095 32.2487 5.96385 32.2487 -1.57189 GPRESSAVG: 4299600 -6.52873 -43.9545 5.94086 -46.0616 61.2167 33.0281 5.9425 30.5334 -1.65764 TIMING: 4299600 CPU: 13595.9, 0.00317105/step Wall: 13595.9, 0.00317105/step, 0.616945 hours remaining, 237.828125 MB of memory in use. ENERGY: 4299600 3939.0113 20457.1930 14500.9901 239.3645 -202998.1826 2375.2940 0.0000 0.0000 51984.2278 -109502.1020 298.7541 -161486.3298 -109137.6623 299.1763 146.7465 179.8067 759498.3361 17.5338 17.6768 PRESSURE: 4299800 -30.8667 124.74 144.755 124.74 -144.594 -336.812 144.755 -336.811 -29.7893 GPRESSURE: 4299800 -23.8011 103.579 85.3254 61.2833 -116.682 -290.06 130.181 -395.655 25.6077 PRESSAVG: 4299800 -7.98111 -0.382077 37.0077 -0.381998 -41.5499 20.1431 37.0077 20.1432 -14.9372 GPRESSAVG: 4299800 -7.95081 -3.34462 37.4123 2.45649 -41.4303 20.4503 36.6007 19.0003 -15.0495 TIMING: 4299800 CPU: 13596.6, 0.00318112/step Wall: 13596.6, 0.00318112/step, 0.618727 hours remaining, 237.828125 MB of memory in use. ENERGY: 4299800 3972.6065 20564.6649 14518.8708 265.9199 -203182.7062 2373.8840 0.0000 0.0000 52143.1885 -109343.5717 299.6676 -161486.7602 -108974.3764 298.7265 -68.4168 -38.2919 760347.3010 -21.4894 -21.4769 PRESSURE: 4300000 40.6738 163.695 -171.751 163.695 313.776 -36.8873 -171.75 -36.8873 -489.399 GPRESSURE: 4300000 192.918 51.1236 -130.431 38.2033 238.865 -18.6481 -167.408 -30.779 -469.825 PRESSAVG: 4300000 92.4313 25.3383 30.5816 25.3383 -52.0473 9.30336 30.5816 9.30344 -32.9714 GPRESSAVG: 4300000 92.5289 25.7708 29.6736 25.301 -52.0891 9.17275 30.254 10.7002 -32.6294 TIMING: 4300000 CPU: 13597.2, 0.00317736/step Wall: 13597.2, 0.00317736/step, 0.617821 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: 4300000 3939.4370 20530.3339 14499.8983 246.7054 -203390.6200 2617.8871 0.0000 0.0000 52077.7574 -109478.6009 299.2916 -161556.3583 -109115.0936 299.3605 -44.9834 -12.6805 759568.2019 2.4709 2.6034 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.1.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 52.5923 -316.59 -63.3966 -316.59 243.507 -196.767 -63.3971 -196.767 -70.8548 GPRESSURE: 4300200 183.428 -191.723 11.5911 -320.238 163.453 -259.144 -142.435 -102.427 -35.0933 PRESSAVG: 4300200 -6.95129 -17.5805 3.75259 -17.5806 -25.5663 -13.3971 3.75259 -13.3971 -19.2001 GPRESSAVG: 4300200 -6.53771 -16.7458 7.10624 -15.9489 -26.2992 -13.0629 1.36935 -12.4001 -19.1694 TIMING: 4300200 CPU: 13597.9, 0.00328129/step Wall: 13597.9, 0.00328129/step, 0.637846 hours remaining, 237.953125 MB of memory in use. ENERGY: 4300200 3979.5752 20408.0823 14428.6535 235.7406 -203442.9486 2661.6858 0.0000 0.0000 52273.8316 -109455.3796 300.4184 -161729.2112 -109107.3063 299.4056 75.0815 103.9292 759779.5183 -17.2392 -17.3354 LDB: ============= START OF LOAD BALANCING ============== 13610.4 LDB: ============== END OF LOAD BALANCING =============== 13610.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13610.4 LDB: ============= START OF LOAD BALANCING ============== 13610.7 LDB: Largest compute 7027 load 0.032786 is 16.8% of average load 0.195633 LDB: Average compute 0.004398 is 2.2% of average load 0.195633 LDB: TIME 13610.7 LOAD: AVG 0.195633 MAX 0.215374 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.234 MB LDB: TIME 13610.7 LOAD: AVG 0.195633 MAX 0.215374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 13610.7 LOAD: AVG 0.195633 MAX 0.215374 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 13610.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13610.7 PRESSURE: 4300400 69.3447 132.86 196.09 132.86 -273.165 -267.867 196.09 -267.868 55.1223 GPRESSURE: 4300400 128.253 -62.0573 159.67 100.38 -168.969 -259.524 205.594 -70.4302 -11.7088 PRESSAVG: 4300400 -10.8244 -31.7577 -0.889256 -31.7577 5.17585 5.74373 -0.889282 5.74377 6.36291 GPRESSAVG: 4300400 -11.4282 -32.0981 -2.0886 -33.9889 5.68788 3.96542 -1.1597 6.60765 6.85314 TIMING: 4300400 CPU: 13598.5, 0.00322859/step Wall: 13598.5, 0.00322859/step, 0.627423 hours remaining, 236.164062 MB of memory in use. ENERGY: 4300400 3985.3152 20631.6864 14434.6262 246.5900 -203088.2200 2489.7531 0.0000 0.0000 51877.1633 -109423.0858 298.1388 -161300.2491 -109075.4796 299.4970 -49.5659 -17.4750 762207.1077 0.2381 0.3710 PRESSURE: 4300600 249.652 -68.4676 83.1503 -68.4675 134.956 -2.95778 83.1496 -2.95832 210.873 GPRESSURE: 4300600 391.519 27.1555 59.8294 -18.8195 130.31 -55.9745 69.826 -117.781 157.312 PRESSAVG: 4300600 32.3714 46.6461 10.7421 46.6461 -53.5187 2.87026 10.7421 2.87024 -4.80823 GPRESSAVG: 4300600 32.6411 47.4006 9.9259 44.7783 -52.8541 2.98879 10.6291 4.00041 -5.36541 TIMING: 4300600 CPU: 13599.2, 0.00317715/step Wall: 13599.2, 0.00317715/step, 0.617251 hours remaining, 236.406250 MB of memory in use. ENERGY: 4300600 3990.9183 20279.5502 14475.2637 236.3115 -203569.1491 2862.5397 0.0000 0.0000 52147.5805 -109576.9853 299.6929 -161724.5658 -109202.7399 299.2756 198.4938 226.3803 759290.5513 -8.6519 -8.5261 PRESSURE: 4300800 76.1041 194.254 -137.629 194.254 123.784 -28.9137 -137.629 -28.9126 201.898 GPRESSURE: 4300800 165.179 171.819 -224.536 220.013 109.682 -15.7541 -68.9384 -23.5529 202.605 PRESSAVG: 4300800 14.602 9.88435 -21.9504 9.88438 11.5668 -6.35034 -21.9505 -6.35041 -5.98571 GPRESSAVG: 4300800 15.1349 9.72646 -22.0253 11.2837 10.7997 -5.95382 -20.1608 -9.7245 -6.18925 TIMING: 4300800 CPU: 13599.8, 0.00317021/step Wall: 13599.8, 0.00317021/step, 0.615725 hours remaining, 236.609375 MB of memory in use. ENERGY: 4300800 4059.8562 20424.6122 14501.8828 229.2117 -203690.1889 2881.1323 0.0000 0.0000 51956.8802 -109636.6136 298.5969 -161593.4938 -109282.2476 298.8595 133.9288 159.1554 760525.6540 6.7277 6.5818 PRESSURE: 4301000 145.147 -17.1714 -213.709 -17.171 -82.3108 233.027 -213.709 233.026 -193.965 GPRESSURE: 4301000 130.998 -83.6808 -145.072 -14.432 3.99453 111.227 -214.519 271.594 -168.528 PRESSAVG: 4301000 31.2401 -48.7919 -30.7061 -48.7919 -21.048 -9.21248 -30.7061 -9.21248 -22.951 GPRESSAVG: 4301000 30.5676 -50.2608 -31.139 -47.7961 -20.8341 -9.59832 -29.7151 -8.4359 -22.6954 TIMING: 4301000 CPU: 13600.4, 0.00316727/step Wall: 13600.4, 0.00316727/step, 0.614978 hours remaining, 236.609375 MB of memory in use. ENERGY: 4301000 4075.6822 20428.3449 14429.3848 235.7068 -203214.9700 2520.9834 0.0000 0.0000 51800.7157 -109724.1522 297.6994 -161524.8679 -109368.9550 298.4579 -43.7095 -11.1785 759155.9465 -4.2530 -4.3206 PRESSURE: 4301200 -278.601 -54.4293 64.5686 -54.4289 -82.0472 -145.717 64.5676 -145.716 -29.4157 GPRESSURE: 4301200 -216.62 -51.1982 67.9651 -1.90645 -79.5369 -190.976 -37.7146 -174.095 0.699296 PRESSAVG: 4301200 21.0741 25.9004 -15.5147 25.9004 -34.4351 17.9121 -15.5147 17.9121 1.37527 GPRESSAVG: 4301200 20.2857 26.4747 -15.9532 26.4426 -33.4028 18.5086 -16.5205 17.5483 1.23418 TIMING: 4301200 CPU: 13601.1, 0.00317831/step Wall: 13601.1, 0.00317831/step, 0.616946 hours remaining, 236.609375 MB of memory in use. ENERGY: 4301200 4035.4903 20348.4757 14400.2871 247.2496 -203257.4746 2446.8219 0.0000 0.0000 51938.2744 -109840.8758 298.4900 -161779.1502 -109484.9626 298.2937 -130.0213 -98.4859 761236.3751 -3.9952 -3.9610 PRESSURE: 4301400 -340.904 8.2807 96.4282 8.28043 -139.105 246.909 96.4278 246.908 -19.7687 GPRESSURE: 4301400 -250.24 -46.5092 36.8695 -151.139 -106.861 208.414 220.468 241.037 -68.6034 PRESSAVG: 4301400 29.3135 8.52493 -80.1641 8.52488 -46.4106 11.5896 -80.1641 11.5895 -0.488184 GPRESSAVG: 4301400 30.4001 8.71227 -80.1118 7.05756 -47.335 11.9358 -79.0556 11.3 -1.25986 TIMING: 4301400 CPU: 13601.7, 0.00317775/step Wall: 13601.7, 0.00317775/step, 0.61666 hours remaining, 236.609375 MB of memory in use. ENERGY: 4301400 3935.6105 20502.1444 14461.3516 247.9725 -203375.9593 2522.9939 0.0000 0.0000 51889.0537 -109816.8326 298.2071 -161705.8863 -109450.7224 298.5246 -166.5925 -141.9013 761124.4662 -5.8617 -6.0649 PRESSURE: 4301600 -222.717 -144.248 107.327 -144.248 -223.944 71.0627 107.326 71.0644 -474.915 GPRESSURE: 4301600 -208.064 -142.597 108.003 -50.4734 -128.472 6.5944 -52.08 75.7151 -495.062 PRESSAVG: 4301600 -16.5013 -13.5373 -18.5128 -13.5372 -7.36725 -22.4164 -18.5128 -22.4165 -9.99214 GPRESSAVG: 4301600 -17.2262 -14.1093 -18.1126 -13.6032 -6.51281 -24.6323 -19.1322 -20.7618 -10.0064 TIMING: 4301600 CPU: 13602.3, 0.00318058/step Wall: 13602.3, 0.00318058/step, 0.617032 hours remaining, 236.609375 MB of memory in use. ENERGY: 4301600 3933.0269 20324.1996 14464.9050 219.4328 -203361.5984 2532.5764 0.0000 0.0000 51888.7010 -109998.7567 298.2051 -161887.4577 -109634.2012 298.4558 -307.1920 -277.1992 761519.7236 -11.2869 -11.2485 PRESSURE: 4301800 61.4411 -138.192 154.356 -138.192 -69.9742 -164.093 154.356 -164.092 -260.681 GPRESSURE: 4301800 80.2216 -4.56437 234.314 -137.266 16.7174 -208.149 42.6759 -201.24 -269.254 PRESSAVG: 4301800 3.47279 8.53539 9.17178 8.53532 10.0663 -18 9.17183 -18 -4.67497 GPRESSAVG: 4301800 4.48246 9.59569 9.60283 8.75948 9.39982 -15.727 8.14074 -20.2972 -4.74504 TIMING: 4301800 CPU: 13603, 0.00316959/step Wall: 13603, 0.00316959/step, 0.614724 hours remaining, 236.609375 MB of memory in use. ENERGY: 4301800 3940.0801 20303.0624 14431.2613 225.8158 -203434.8267 2652.1862 0.0000 0.0000 51797.8110 -110084.6099 297.6827 -161882.4208 -109727.4205 297.6270 -89.7380 -57.4382 761493.0673 2.9547 3.0457 PRESSURE: 4302000 -112.65 -14.2743 35.7108 -14.2738 315.426 68.9013 35.7101 68.9011 -18.0073 GPRESSURE: 4302000 -23.0432 23.2548 66.6898 -65.6273 273.301 77.1328 77.8537 123.804 13.1118 PRESSAVG: 4302000 1.80957 -46.4063 50.1598 -46.4063 -6.18416 -29.4788 50.1598 -29.4788 25.8147 GPRESSAVG: 4302000 1.1782 -45.09 50.1287 -46.0733 -5.58796 -30.622 52.3918 -29.7412 26.0624 TIMING: 4302000 CPU: 13603.6, 0.00316259/step Wall: 13603.6, 0.00316259/step, 0.61319 hours remaining, 236.609375 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: 4302000 3913.7265 20425.8986 14535.1867 267.6523 -203712.4158 2732.4766 0.0000 0.0000 51839.5695 -109997.9056 297.9227 -161837.4751 -109640.8001 297.9993 61.5895 87.7899 761092.2057 7.1467 7.2176 PRESSURE: 4302200 -5.23903 -6.04675 -285.552 -6.04761 154.675 127.081 -285.553 127.082 170.351 GPRESSURE: 4302200 122.245 22.0103 -316.976 48.7522 108.952 215.74 -302.769 39.383 171.422 PRESSAVG: 4302200 16.4349 -32.171 4.08658 -32.171 -2.06733 15.689 4.08658 15.689 -23.3545 GPRESSAVG: 4302200 18.4304 -32.6118 4.2147 -34.1147 -3.55818 16.5527 3.12674 16.6291 -23.5894 TIMING: 4302200 CPU: 13604.2, 0.00316546/step Wall: 13604.2, 0.00316546/step, 0.613571 hours remaining, 236.609375 MB of memory in use. ENERGY: 4302200 3964.8838 20458.7498 14502.6823 231.4130 -203911.1512 2848.3462 0.0000 0.0000 51995.6940 -109909.3820 298.8200 -161905.0761 -109545.2225 298.3018 106.5955 134.2065 759047.2382 -2.9957 -2.9057 PRESSURE: 4302400 -190.239 62.4281 -79.9196 62.4278 -38.1761 122.188 -79.9185 122.188 130.511 GPRESSURE: 4302400 -103.721 49.6934 -88.888 64.0656 31.4004 161.605 -87.1993 110.32 71.5721 PRESSAVG: 4302400 -7.49846 -10.7336 -8.65641 -10.7335 -0.609434 53.117 -8.65637 53.1171 7.89256 GPRESSAVG: 4302400 -8.9921 -12.6296 -7.53743 -7.01137 0.00797509 53.092 -10.303 54.9108 8.77873 TIMING: 4302400 CPU: 13604.9, 0.00318166/step Wall: 13604.9, 0.00318166/step, 0.616535 hours remaining, 236.609375 MB of memory in use. ENERGY: 4302400 3955.5087 20356.5755 14413.9595 256.1437 -203235.3474 2585.5436 0.0000 0.0000 51896.4954 -109771.1210 298.2499 -161667.6164 -109408.7585 298.5683 -32.6349 -0.2494 761050.1548 -0.0718 -0.0685 PRESSURE: 4302600 282.033 -114.559 -263.39 -114.558 -128.479 -66.3511 -263.391 -66.3517 -245.178 GPRESSURE: 4302600 259.987 -128.585 -154.604 -93.8968 -12.5143 -0.107336 -311.891 53.5459 -266.838 PRESSAVG: 4302600 26.6536 -31.4767 -80.0827 -31.4767 31.644 -69.0841 -80.0826 -69.084 -1.04408 GPRESSAVG: 4302600 25.9703 -28.8374 -80.5007 -33.3494 32.6514 -69.3266 -79.4808 -70.1237 -1.51828 TIMING: 4302600 CPU: 13605.5, 0.00316866/step Wall: 13605.5, 0.00316866/step, 0.613841 hours remaining, 236.609375 MB of memory in use. ENERGY: 4302600 3940.7237 20592.2452 14507.5335 256.6707 -202900.1800 2093.5230 0.0000 0.0000 51777.3653 -109732.1186 297.5652 -161509.4839 -109367.9314 298.8544 -30.5417 -6.4552 759760.0266 19.0845 19.0345 PRESSURE: 4302800 266.219 165.67 58.8994 165.67 -37.3384 55.1332 58.8986 55.1339 122.266 GPRESSURE: 4302800 309.74 144.831 96.5775 175.07 -42.6276 47.3715 33.8622 80.3199 171.029 PRESSAVG: 4302800 -21.5574 14.8471 9.96397 14.8471 -1.50233 -37.9514 9.9639 -37.9515 17.0236 GPRESSAVG: 4302800 -20.5158 15.1059 8.78989 12.9224 -2.06062 -38.8514 11.2195 -37.0144 17.4158 TIMING: 4302800 CPU: 13606.1, 0.00317978/step Wall: 13606.1, 0.00317978/step, 0.615817 hours remaining, 236.609375 MB of memory in use. ENERGY: 4302800 4006.3900 20558.7140 14439.3534 253.2970 -203888.0898 2840.5213 0.0000 0.0000 52062.5702 -109727.2438 299.2043 -161789.8140 -109366.7371 298.6011 117.0490 146.0472 760389.2425 -2.0121 -1.7202 PRESSURE: 4303000 -51.3385 51.7548 -125.99 51.755 100.203 -187.936 -125.99 -187.936 101.463 GPRESSURE: 4303000 33.9197 -0.411185 -142.434 -39.1397 154.058 -181.103 -37.3193 -64.4264 43.6905 PRESSAVG: 4303000 17.8359 5.48217 -6.18376 5.4822 9.21686 -16.3069 -6.18377 -16.307 -10.0315 GPRESSAVG: 4303000 17.5611 4.2289 -5.22028 7.02468 9.17732 -15.6661 -7.62192 -18.3893 -9.69474 TIMING: 4303000 CPU: 13606.8, 0.00315078/step Wall: 13606.8, 0.00315078/step, 0.610026 hours remaining, 236.609375 MB of memory in use. ENERGY: 4303000 3952.3410 20566.0789 14437.9027 242.7781 -203185.9289 2503.0568 0.0000 0.0000 51911.2410 -109572.5303 298.3346 -161483.7712 -109199.2555 299.3064 50.1090 77.2226 760600.2420 5.6737 5.6812 PRESSURE: 4303200 -62.2764 -73.9169 35.025 -73.9178 -536.413 26.3013 35.0254 26.3006 -423.716 GPRESSURE: 4303200 -76.1624 -200.785 9.65636 -42.8531 -485.445 16.3556 77.4502 193.475 -396.007 PRESSAVG: 4303200 7.65423 11.8724 -10.4091 11.8724 -12.5943 -20.4204 -10.4091 -20.4203 -0.350853 GPRESSAVG: 4303200 7.86295 9.66841 -10.6666 12.3084 -11.6582 -21.2694 -9.28634 -19.1035 -1.04059 TIMING: 4303200 CPU: 13607.4, 0.0031408/step Wall: 13607.4, 0.0031408/step, 0.607919 hours remaining, 236.609375 MB of memory in use. ENERGY: 4303200 4076.4773 20512.4252 14418.1781 232.8305 -202953.6458 2422.5310 0.0000 0.0000 51845.8199 -109445.3838 297.9586 -161291.2037 -109072.6089 298.9022 -340.8018 -319.2048 762521.3550 -1.7637 -1.6119 PRESSURE: 4303400 45.307 -90.8656 58.0836 -90.8643 221.762 -227.044 58.0844 -227.043 466.192 GPRESSURE: 4303400 103.534 24.1342 -48.7633 -9.03055 285.06 -280.109 53.813 -215.274 431.301 PRESSAVG: 4303400 3.30808 -43.3097 31.8423 -43.3098 -47.6724 -38.5973 31.8423 -38.5973 -5.47685 GPRESSAVG: 4303400 2.11422 -39.2018 30.4352 -46.951 -48.2355 -39.4273 29.7913 -38.3995 -4.06693 TIMING: 4303400 CPU: 13608, 0.00317984/step Wall: 13608, 0.00317984/step, 0.615299 hours remaining, 236.609375 MB of memory in use. ENERGY: 4303400 4011.4496 20612.5992 14480.5037 233.4596 -203679.3085 2861.7393 0.0000 0.0000 51851.9742 -109627.5828 297.9940 -161479.5570 -109273.4991 298.3575 244.4202 273.2981 760612.6579 -16.6137 -16.7294 PRESSURE: 4303600 -300.334 -102.723 -50.0342 -102.723 21.42 -41.5141 -50.0356 -41.5145 -191.7 GPRESSURE: 4303600 -226.647 -107.312 -118.402 -88.878 2.67272 21.3713 -0.931065 -19.9354 -143.447 PRESSAVG: 4303600 2.52893 -10.0907 15.5822 -10.0907 29.6427 -57.7688 15.5822 -57.7688 -6.72003 GPRESSAVG: 4303600 4.21516 -10.2017 17.1971 -8.48519 27.7083 -54.749 15.8959 -58.9247 -6.81172 TIMING: 4303600 CPU: 13608.7, 0.00315207/step Wall: 13608.7, 0.00315207/step, 0.609751 hours remaining, 236.609375 MB of memory in use. ENERGY: 4303600 4023.4724 20470.1449 14447.0676 243.1067 -203238.9365 2390.8851 0.0000 0.0000 52057.7625 -109606.4972 299.1767 -161664.2597 -109247.8605 299.1470 -156.8713 -122.4737 761276.2193 8.4839 8.3706 PRESSURE: 4303800 102.289 -282.48 -324.229 -282.479 103.873 127.963 -324.229 127.964 524.275 GPRESSURE: 4303800 73.6177 -253.229 -450.725 -203.315 173.527 83.9103 -248.098 38.198 576.728 PRESSAVG: 4303800 -32.5888 -37.4614 -27.245 -37.4613 -32.1685 -50.0518 -27.2449 -50.0517 14.9604 GPRESSAVG: 4303800 -34.689 -40.5651 -28.8498 -36.01 -29.0628 -51.4648 -25.17 -49.5195 14.4623 TIMING: 4303800 CPU: 13609.3, 0.00319888/step Wall: 13609.3, 0.00319888/step, 0.618628 hours remaining, 236.609375 MB of memory in use. ENERGY: 4303800 3964.5919 20683.3690 14413.4185 247.6529 -203084.4267 2420.2160 0.0000 0.0000 51936.9789 -109418.1995 298.4825 -161355.1784 -109069.5643 299.3704 243.4788 274.6242 757901.6736 -16.5990 -16.4298 PRESSURE: 4304000 37.447 -51.0448 56.6163 -51.0449 -2.57977 -42.3275 56.6171 -42.3274 -403.871 GPRESSURE: 4304000 9.76998 33.3698 58.5511 -21.8417 37.0794 -98.0626 81.5456 -121.709 -324.766 PRESSAVG: 4304000 5.76982 -33.6292 -3.78569 -33.6292 48.3814 12.9729 -3.78563 12.9728 3.35126 GPRESSAVG: 4304000 7.06769 -31.4236 -1.7436 -34.0727 45.8681 11.9988 -5.54959 12.7537 4.34144 TIMING: 4304000 CPU: 13609.9, 0.00315655/step Wall: 13609.9, 0.00315655/step, 0.610267 hours remaining, 236.609375 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: 4304000 4011.2030 20308.2781 14497.4032 238.0759 -203416.7727 2609.5076 0.0000 0.0000 52056.2190 -109696.0859 299.1678 -161752.3049 -109330.5651 299.3910 -123.0013 -92.6390 760296.5620 19.1675 19.0924 PRESSURE: 4304200 -69.339 -31.0432 199.121 -31.0436 66.5734 -24.4272 199.121 -24.4264 -459.778 GPRESSURE: 4304200 -47.2699 -27.5724 256.361 50.7496 67.1155 -85.2351 261.064 106.061 -396.51 PRESSAVG: 4304200 -26.9491 -13.0929 -9.89613 -13.0928 7.06505 -9.72508 -9.89611 -9.72512 11.958 GPRESSAVG: 4304200 -27.2482 -13.6924 -8.62696 -13.4177 8.32636 -10.4408 -9.98714 -9.66387 10.6674 TIMING: 4304200 CPU: 13610.6, 0.0031562/step Wall: 13610.6, 0.0031562/step, 0.610023 hours remaining, 236.609375 MB of memory in use. ENERGY: 4304200 4026.7811 20510.6568 14439.6096 256.9370 -203564.7951 2560.4553 0.0000 0.0000 52108.5722 -109661.7832 299.4687 -161770.3554 -109297.8627 299.0119 -154.1813 -125.5548 758807.0935 -2.6420 -2.7515 LDB: ============= START OF LOAD BALANCING ============== 13623.1 LDB: ============== END OF LOAD BALANCING =============== 13623.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13623.1 LDB: ============= START OF LOAD BALANCING ============== 13623.4 LDB: Largest compute 7067 load 0.036635 is 18.7% of average load 0.195624 LDB: Average compute 0.004410 is 2.3% of average load 0.195624 LDB: TIME 13623.4 LOAD: AVG 0.195624 MAX 0.214115 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 13623.4 LOAD: AVG 0.195624 MAX 0.214115 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: TIME 13623.4 LOAD: AVG 0.195624 MAX 0.214115 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: ============== END OF LOAD BALANCING =============== 13623.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13623.4 PRESSURE: 4304400 28.9004 -15.1972 -158.453 -15.1969 -112.282 -57.1384 -158.453 -57.1387 -337.82 GPRESSURE: 4304400 84.323 -21.8554 -207.081 -25.0195 -48.0533 -14.3837 -180.384 -22.693 -376.805 PRESSAVG: 4304400 -6.29203 -28.878 -55.4799 -28.878 55.0615 3.98278 -55.48 3.98279 3.38555 GPRESSAVG: 4304400 -6.19584 -26.7361 -57.0018 -29.075 55.1282 4.27124 -55.9412 4.62593 3.1527 TIMING: 4304400 CPU: 13611.2, 0.0032294/step Wall: 13611.2, 0.0032294/step, 0.623992 hours remaining, 235.156250 MB of memory in use. ENERGY: 4304400 3990.9135 20670.9752 14519.4011 243.8797 -203572.9417 2476.1143 0.0000 0.0000 52082.8158 -109588.8422 299.3207 -161671.6580 -109229.8317 299.2560 -140.4007 -113.5119 760136.9289 17.3850 17.3617 PRESSURE: 4304600 -211.791 8.97193 217.122 8.97203 36.6786 -214.51 217.122 -214.509 322.549 GPRESSURE: 4304600 -109.25 160.137 236.928 -118.572 112.475 -215.408 189.724 -55.9723 215.515 PRESSAVG: 4304600 25.9615 -42.603 -30.7451 -42.6031 -13.6683 -14.0865 -30.7451 -14.0864 18.5058 GPRESSAVG: 4304600 25.0768 -43.4782 -30.7269 -44.1919 -13.0343 -12.3771 -32.0511 -14.5291 18.7437 TIMING: 4304600 CPU: 13611.8, 0.00318838/step Wall: 13611.8, 0.00318838/step, 0.61589 hours remaining, 235.394531 MB of memory in use. ENERGY: 4304600 3956.6309 20509.1672 14479.0775 235.2020 -203164.3503 2516.7203 0.0000 0.0000 51951.3189 -109516.2335 298.5649 -161467.5524 -109144.9600 299.8354 49.1455 72.9135 761337.1020 10.2663 10.2621 PRESSURE: 4304800 -13.4998 96.9105 166.712 96.9114 -157.604 6.57804 166.712 6.57822 206.211 GPRESSURE: 4304800 -32.0577 66.9866 163.904 7.59199 -126.426 -13.961 94.1705 -157.441 280.637 PRESSAVG: 4304800 -13.4204 -14.1244 20.969 -14.1245 -26.9426 -34.9185 20.969 -34.9185 -17.4069 GPRESSAVG: 4304800 -12.8405 -14.5161 20.718 -11.4327 -27.67 -35.3852 23.9177 -34.7763 -17.5041 TIMING: 4304800 CPU: 13612.5, 0.00318504/step Wall: 13612.5, 0.00318504/step, 0.615067 hours remaining, 235.394531 MB of memory in use. ENERGY: 4304800 3955.8127 20682.2527 14419.7453 236.0082 -203279.8258 2526.3542 0.0000 0.0000 52099.1032 -109360.5495 299.4143 -161459.6527 -108993.9232 299.4763 11.7024 40.7179 762909.3654 -19.2566 -19.3382 PRESSURE: 4305000 -68.2266 -124.618 -73.1348 -124.618 210.381 -157.917 -73.1349 -157.918 -15.6998 GPRESSURE: 4305000 -16.1406 -178.095 -39.9696 -35.5354 233.389 -148.684 -22.5001 -65.5632 -16.182 PRESSAVG: 4305000 -26.8275 -50.3007 14.841 -50.3008 32.333 17.325 14.8411 17.325 10.0997 GPRESSAVG: 4305000 -28.2928 -50.357 16.1102 -52.0019 33.9983 16.9747 12.8973 15.9635 10.0519 TIMING: 4305000 CPU: 13613.1, 0.00316674/step Wall: 13613.1, 0.00316674/step, 0.611357 hours remaining, 235.394531 MB of memory in use. ENERGY: 4305000 4028.2615 20645.9290 14485.5548 256.5293 -203307.8812 2562.9754 0.0000 0.0000 52132.1127 -109196.5185 299.6040 -161328.6312 -108827.5458 299.8147 42.1515 67.0220 761685.9291 5.2017 5.2524 PRESSURE: 4305200 2.30641 -228.865 130.141 -228.866 -175.495 96.8074 130.14 96.8088 -260.101 GPRESSURE: 4305200 -43.9808 -119.575 159.474 -151.84 -87.6064 99.0342 69.6304 88.6806 -216.585 PRESSAVG: 4305200 -6.69313 -1.12843 36.522 -1.12847 29.4189 14.62 36.522 14.6199 17.8344 GPRESSAVG: 4305200 -5.4186 -1.69335 35.6798 -1.89748 28.8782 15.2493 36.2843 15.3998 17.5763 TIMING: 4305200 CPU: 13613.8, 0.00318164/step Wall: 13613.8, 0.00318164/step, 0.614056 hours remaining, 235.394531 MB of memory in use. ENERGY: 4305200 3998.7521 20794.1078 14479.6469 245.6887 -203623.1677 2666.7747 0.0000 0.0000 52084.2170 -109353.9805 299.3287 -161438.1975 -108992.4267 299.4067 -144.4301 -116.0576 760524.8973 13.5200 13.6786 PRESSURE: 4305400 -260.097 -97.6602 -285.646 -97.6608 7.59498 -22.3301 -285.646 -22.3297 -354.253 GPRESSURE: 4305400 -179.544 3.63683 -258.671 -75.7885 -4.99907 -77.7152 -264.004 -194.421 -326.959 PRESSAVG: 4305400 -23.8934 -46.4822 -7.93194 -46.4822 9.79159 -3.90554 -7.93197 -3.90548 26.0127 GPRESSAVG: 4305400 -24.0172 -47.3238 -8.70183 -45.5654 10.2434 -3.73454 -7.45011 -5.94557 26.669 TIMING: 4305400 CPU: 13614.4, 0.00316861/step Wall: 13614.4, 0.00316861/step, 0.611365 hours remaining, 235.394531 MB of memory in use. ENERGY: 4305400 3968.3163 20500.0194 14492.7309 254.6443 -203011.0059 2287.8984 0.0000 0.0000 51998.0313 -109509.3653 298.8334 -161507.3966 -109153.6372 298.9227 -202.2517 -170.5007 762130.8612 3.9703 4.2984 PRESSURE: 4305600 -54.0336 -30.0096 156.409 -30.01 -199.115 140.219 156.408 140.219 -499.864 GPRESSURE: 4305600 36.9918 -16.867 214.399 -14.8823 -190.184 185.809 193.752 238.305 -499.855 PRESSAVG: 4305600 -30.3224 -19.1151 8.22032 -19.1151 18.5423 20.0284 8.22036 20.0282 -6.76861 GPRESSAVG: 4305600 -29.6822 -17.3809 9.20017 -18.8179 17.1985 19.4753 8.82525 22.084 -6.29108 TIMING: 4305600 CPU: 13615, 0.00316683/step Wall: 13615, 0.00316683/step, 0.610847 hours remaining, 235.394531 MB of memory in use. ENERGY: 4305600 3981.6859 20531.9209 14376.9419 242.1871 -203198.4846 2384.4569 0.0000 0.0000 52149.3345 -109531.9573 299.7029 -161681.2919 -109163.2390 299.2061 -251.0042 -217.6825 762346.0631 -6.1829 -6.2583 PRESSURE: 4305800 309.685 332.793 -39.2011 332.793 127.563 70.2217 -39.2014 70.2231 222.322 GPRESSURE: 4305800 349.392 192.452 2.51514 254.292 196.881 26.3337 -39.0089 101.183 222.256 PRESSAVG: 4305800 21.305 -50.6112 38.3698 -50.6113 15.5817 23.5848 38.3697 23.5849 25.5913 GPRESSAVG: 4305800 20.8705 -51.0449 36.8549 -50.1714 15.6354 23.4867 37.2007 23.9325 26.2369 TIMING: 4305800 CPU: 13615.7, 0.00318136/step Wall: 13615.7, 0.00318136/step, 0.613472 hours remaining, 235.394531 MB of memory in use. ENERGY: 4305800 3987.2670 20622.7607 14450.3745 241.2200 -203594.3226 2768.6889 0.0000 0.0000 52041.1832 -109482.8284 299.0814 -161524.0116 -109117.7181 299.2095 219.8565 256.1764 760686.1355 20.8260 20.9143 PRESSURE: 4306000 134.046 48.3 116.578 48.2999 341.792 28.0821 116.578 28.0814 -231.176 GPRESSURE: 4306000 136.427 62.07 67.9106 33.8546 333.889 -24.0331 162.597 -37.1717 -135.389 PRESSAVG: 4306000 -38.551 -12.8234 63.4604 -12.8234 -23.0809 -9.97078 63.4604 -9.97088 -32.0791 GPRESSAVG: 4306000 -38.724 -13.1357 65.6178 -13.8197 -23.7446 -8.56487 64.1346 -12.8727 -31.4753 TIMING: 4306000 CPU: 13616.3, 0.00315401/step Wall: 13616.3, 0.00315401/step, 0.608023 hours remaining, 235.394531 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: 4306000 3973.1352 20522.9113 14412.3944 244.1559 -203370.9175 2630.8032 0.0000 0.0000 52080.3142 -109507.2033 299.3063 -161587.5175 -109139.5977 299.7349 81.5538 111.6423 760512.8905 -31.2370 -31.3146 PRESSURE: 4306200 -234.806 176.989 110.312 176.988 -45.1338 -96.815 110.312 -96.8158 -412.958 GPRESSURE: 4306200 -62.8948 198.283 93.9406 133.557 -112.145 -19.4487 134.499 -35.0604 -422.518 PRESSAVG: 4306200 23.264 -2.60507 36.9465 -2.60509 -37.7973 -15.1272 36.9465 -15.1273 3.31097 GPRESSAVG: 4306200 23.6472 -1.7321 35.6505 -3.8117 -36.6278 -15.9189 38.2908 -13.3067 1.14159 TIMING: 4306200 CPU: 13616.9, 0.00318737/step Wall: 13616.9, 0.00318737/step, 0.614276 hours remaining, 235.394531 MB of memory in use. ENERGY: 4306200 3954.8946 20484.4186 14424.6672 233.7783 -203175.8412 2465.3462 0.0000 0.0000 51921.5129 -109691.2235 298.3936 -161612.7364 -109328.3945 299.3213 -230.9658 -199.1860 761302.9280 -3.7408 -3.9463 PRESSURE: 4306400 -140.728 33.0212 41.142 33.0219 182.376 1.32318 41.1411 1.32315 -68.5499 GPRESSURE: 4306400 -78.9823 100.216 42.8029 60.6037 195.913 76.9591 91.7645 -20.651 -52.0576 PRESSAVG: 4306400 33.5673 -50.7427 33.9443 -50.7426 -55.7849 -4.9751 33.9444 -4.97514 39.344 GPRESSAVG: 4306400 34.1769 -50.9669 33.755 -49.9042 -57.4544 -4.13524 35.9914 -4.36529 40.4461 TIMING: 4306400 CPU: 13617.6, 0.00314798/step Wall: 13617.6, 0.00314798/step, 0.60651 hours remaining, 235.394531 MB of memory in use. ENERGY: 4306400 4006.6849 20416.3678 14337.4316 239.4757 -203313.3338 2637.3542 0.0000 0.0000 52245.3316 -109430.6881 300.2546 -161676.0197 -109060.1983 299.1606 -8.9671 21.6243 761126.4657 5.7088 5.7228 PRESSURE: 4306600 -112.336 61.6103 -91.6479 61.6096 -154.287 53.4785 -91.6487 53.4787 -107.441 GPRESSURE: 4306600 -112.417 213.242 -150.827 70.9162 -111.186 7.44832 39.5542 -13.3542 -66.1899 PRESSAVG: 4306600 -0.345579 -48.9469 17.8522 -48.947 16.2109 -17.2279 17.8522 -17.2279 -3.11082 GPRESSAVG: 4306600 -0.0364566 -50.0313 17.0849 -49.6509 16.508 -17.8154 16.313 -17.8077 -3.12967 TIMING: 4306600 CPU: 13618.2, 0.00315659/step Wall: 13618.2, 0.00315659/step, 0.607994 hours remaining, 235.394531 MB of memory in use. ENERGY: 4306600 3967.1705 20487.8518 14505.5025 256.0164 -202984.6984 2312.2968 0.0000 0.0000 51900.7953 -109555.0651 298.2746 -161455.8604 -109188.2527 298.7784 -124.6879 -96.5977 760309.4964 4.2515 4.4473 PRESSURE: 4306800 -285.334 -210.973 -69.7936 -210.973 -380.411 284 -69.7929 284.001 -100.641 GPRESSURE: 4306800 -344.813 -176.01 -58.2405 -50.1662 -268.245 262.093 7.86992 151.547 -57.1703 PRESSAVG: 4306800 -33.0102 -20.0642 -18.6414 -20.0642 50.2608 -33.409 -18.6414 -33.409 -1.43662 GPRESSAVG: 4306800 -33.0615 -18.7187 -18.13 -19.9199 51.3204 -32.188 -18.2135 -32.3506 -2.12842 TIMING: 4306800 CPU: 13618.8, 0.00316378/step Wall: 13618.8, 0.00316378/step, 0.609203 hours remaining, 235.394531 MB of memory in use. ENERGY: 4306800 4058.5468 20350.2196 14464.1814 232.3123 -202864.2871 2388.3006 0.0000 0.0000 51942.5779 -109428.1486 298.5147 -161370.7265 -109065.6291 299.1695 -255.4620 -223.4094 762028.1330 5.2713 5.3768 PRESSURE: 4307000 27.6934 -22.7386 -44.3953 -22.7387 -47.5138 74.209 -44.3956 74.2099 -88.1182 GPRESSURE: 4307000 82.637 60.1882 5.40834 -51.2745 -8.51106 76.4954 -176.887 145.77 -110.467 PRESSAVG: 4307000 12.4687 0.87361 3.78219 0.873591 8.55198 -6.22157 3.78218 -6.22159 8.28608 GPRESSAVG: 4307000 11.1283 -0.657981 2.3192 0.57314 8.26298 -7.60275 2.45929 -7.74883 9.70237 TIMING: 4307000 CPU: 13619.4, 0.0031538/step Wall: 13619.4, 0.0031538/step, 0.607107 hours remaining, 235.394531 MB of memory in use. ENERGY: 4307000 3988.7997 20709.1298 14391.0472 262.8851 -203067.0026 2662.3048 0.0000 0.0000 51744.3269 -109308.5090 297.3754 -161052.8359 -108965.1282 299.1610 -35.9795 -12.1137 761284.6872 9.7689 9.6979 PRESSURE: 4307200 245.441 -108.815 130.398 -108.815 179.64 -44.5306 130.397 -44.5314 -42.3268 GPRESSURE: 4307200 286.307 2.33094 164.743 -135.076 148.956 -33.1423 143.13 9.18959 9.69351 PRESSAVG: 4307200 -4.98743 -31.0879 1.84409 -31.0879 39.8864 26.9348 1.84417 26.9348 5.36095 GPRESSAVG: 4307200 -4.98902 -30.0087 2.88959 -29.6051 39.8916 28.5068 -0.0290244 27.7213 4.95456 TIMING: 4307200 CPU: 13620.1, 0.00317516/step Wall: 13620.1, 0.00317516/step, 0.611042 hours remaining, 235.394531 MB of memory in use. ENERGY: 4307200 3922.5087 20548.5767 14519.0903 251.4060 -202848.0422 2219.4268 0.0000 0.0000 52069.5969 -109317.4370 299.2447 -161387.0338 -108960.2821 299.5304 127.5849 148.3190 761043.6219 13.4200 13.2857 PRESSURE: 4307400 -111.527 -3.32685 161.737 -3.32622 363.843 -22.2382 161.737 -22.2379 -82.4953 GPRESSURE: 4307400 -62.2884 82.3643 124.97 151.652 313.948 18.0257 215.307 32.6412 3.45811 PRESSAVG: 4307400 -9.64321 -10.7634 -55.661 -10.7634 28.8657 -18.8425 -55.6611 -18.8425 11.2399 GPRESSAVG: 4307400 -7.78163 -9.57342 -55.3616 -11.2236 27.8433 -20.1855 -54.819 -20.1736 10.8086 TIMING: 4307400 CPU: 13620.7, 0.00320829/step Wall: 13620.7, 0.00320829/step, 0.617239 hours remaining, 235.394531 MB of memory in use. ENERGY: 4307400 3954.2674 20469.7436 14440.1982 243.1403 -203481.5224 2700.8091 0.0000 0.0000 52263.3724 -109409.9914 300.3583 -161673.3639 -109044.5860 299.5718 56.6068 85.0393 760512.3630 10.1541 10.2901 PRESSURE: 4307600 -325.196 47.5876 169.238 47.587 -12.7616 246.958 169.238 246.958 191.988 GPRESSURE: 4307600 -223.517 -14.15 238.426 -25.477 -23.4789 311.15 121.399 132.502 169.389 PRESSAVG: 4307600 -50.7736 -9.49665 -48.579 -9.49669 50.6147 -51.6271 -48.5791 -51.6271 -37.3643 GPRESSAVG: 4307600 -52.3498 -13.1157 -45.8044 -7.98123 51.782 -51.3527 -50.5527 -50.722 -37.3228 TIMING: 4307600 CPU: 13621.4, 0.00318328/step Wall: 13621.4, 0.00318328/step, 0.612251 hours remaining, 235.394531 MB of memory in use. ENERGY: 4307600 4064.2324 20697.9713 14447.8903 224.4364 -202976.6516 2506.7698 0.0000 0.0000 51875.2185 -109160.1328 298.1276 -161035.3513 -108809.4446 299.0286 -48.6567 -25.8689 761717.8239 -12.5078 -12.6302 PRESSURE: 4307800 218.676 -143.806 -217.407 -143.806 283.57 45.3533 -217.407 45.3531 0.122936 GPRESSURE: 4307800 226.886 -175.165 -23.545 -106.51 260.176 34.2365 -186.576 48.3019 96.922 PRESSAVG: 4307800 -14.6933 -31.6712 -18.7886 -31.6712 24.8147 -33.6989 -18.7886 -33.6988 20.5052 GPRESSAVG: 4307800 -13.8741 -32.2522 -20.8329 -33.7941 24.2854 -33.1808 -17.8755 -33.5566 20.5244 TIMING: 4307800 CPU: 13622, 0.00317599/step Wall: 13622, 0.00317599/step, 0.610673 hours remaining, 235.394531 MB of memory in use. ENERGY: 4307800 4034.1885 20537.8380 14429.3544 219.0118 -203411.5416 2851.7588 0.0000 0.0000 51964.6803 -109374.7099 298.6417 -161339.3902 -109009.1892 299.6168 167.4563 194.6614 759665.9005 10.2088 10.3119 PRESSURE: 4308000 62.9382 30.6826 -187.12 30.6831 131.012 63.544 -187.12 63.5439 -118.355 GPRESSURE: 4308000 49.2506 45.6982 -166.641 70.4302 143.66 76.8065 -53.6188 34.5079 -35.4365 PRESSAVG: 4308000 -67.5395 -1.29606 -8.05357 -1.29616 75.2618 -25.5832 -8.05349 -25.5832 14.2421 GPRESSAVG: 4308000 -67.7698 1.95545 -8.43335 -2.03077 74.7208 -26.7266 -5.42553 -26.7852 14.7069 TIMING: 4308000 CPU: 13622.6, 0.00318059/step Wall: 13622.6, 0.00318059/step, 0.61138 hours remaining, 235.394531 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: 4308000 3977.4588 20633.2981 14507.7369 248.7873 -203297.6218 2545.5115 0.0000 0.0000 51868.0649 -109516.7644 298.0865 -161384.8294 -109156.3290 299.4591 25.1983 52.4912 760359.0310 7.3215 7.2193 PRESSURE: 4308200 72.7678 50.5215 113.751 50.5212 37.2417 188.351 113.752 188.35 -279.706 GPRESSURE: 4308200 -47.768 121.216 13.2084 22.9325 125.596 162.343 127.468 68.5224 -163.734 PRESSAVG: 4308200 10.4914 -62.2986 -6.52754 -62.2985 6.44507 36.7558 -6.52749 36.7559 -39.4854 GPRESSAVG: 4308200 10.5113 -61.3201 -6.38525 -60.6048 8.3228 37.6649 -6.58208 37.448 -40.5522 TIMING: 4308200 CPU: 13623.3, 0.0031665/step Wall: 13623.3, 0.0031665/step, 0.608496 hours remaining, 235.394531 MB of memory in use. ENERGY: 4308200 3912.0871 20587.5960 14453.8357 234.4310 -203561.3894 2596.8343 0.0000 0.0000 52259.3606 -109517.2447 300.3353 -161776.6053 -109151.7694 299.2985 -56.5654 -28.6354 759452.6033 -7.5163 -7.2394 LDB: ============= START OF LOAD BALANCING ============== 13635.8 LDB: ============== END OF LOAD BALANCING =============== 13635.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13635.8 LDB: ============= START OF LOAD BALANCING ============== 13636.1 LDB: Largest compute 7067 load 0.036774 is 18.8% of average load 0.195520 LDB: Average compute 0.004402 is 2.3% of average load 0.195520 LDB: TIME 13636.1 LOAD: AVG 0.19552 MAX 0.21658 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.926 MB LDB: TIME 13636.1 LOAD: AVG 0.19552 MAX 0.21658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 13636.1 LOAD: AVG 0.19552 MAX 0.21658 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 13636.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13636.1 PRESSURE: 4308400 -36.3641 85.1024 -170.186 85.1029 211.773 -30.2363 -170.185 -30.2354 93.965 GPRESSURE: 4308400 -33.8222 54.7813 -153.898 60.4555 247.477 -87.86 -270.096 -23.0364 144.858 PRESSAVG: 4308400 -37.9171 26.2788 -27.3146 26.2788 16.087 8.32625 -27.3146 8.32624 0.707517 GPRESSAVG: 4308400 -37.4912 23.2135 -25.8642 24.3064 15.7709 6.78457 -29.798 9.36651 0.673945 TIMING: 4308400 CPU: 13623.9, 0.00323125/step Wall: 13623.9, 0.00323125/step, 0.620758 hours remaining, 236.925781 MB of memory in use. ENERGY: 4308400 3950.7709 20559.9664 14504.7676 253.2246 -203452.1821 2613.1506 0.0000 0.0000 52206.9956 -109363.3065 300.0343 -161570.3020 -108993.3583 299.3269 89.7912 119.5044 761123.1154 -7.0409 -7.0155 PRESSURE: 4308600 -51.2614 189.458 -0.0488902 189.458 58.9668 -1.17699 -0.0491189 -1.17578 -175.069 GPRESSURE: 4308600 24.3232 116.841 75.9143 199.03 24.1331 -21.0284 131.175 36.3428 -121.763 PRESSAVG: 4308600 -4.39213 -49.004 11.1006 -49.004 15.5583 19.0653 11.1006 19.0653 21.9658 GPRESSAVG: 4308600 -4.48136 -48.7892 8.80614 -47.7392 15.1076 19.6237 13.9165 19.7205 22.5955 TIMING: 4308600 CPU: 13624.5, 0.0031577/step Wall: 13624.5, 0.0031577/step, 0.606454 hours remaining, 236.925781 MB of memory in use. ENERGY: 4308600 3951.2878 20530.2057 14470.7669 254.4292 -203090.0888 2477.4185 0.0000 0.0000 52145.2724 -109260.7083 299.6796 -161405.9807 -108902.0594 299.7332 -55.7879 -24.4356 761687.3842 11.0440 11.0739 PRESSURE: 4308800 -269.151 -165.872 -23.5599 -165.872 368.146 7.38679 -23.5602 7.3861 10.2032 GPRESSURE: 4308800 -186.015 -269.506 -100.605 -137.053 292.803 31.3415 -44.3378 26.9091 104.21 PRESSAVG: 4308800 -20.2501 -29.0178 -5.77551 -29.0179 -22.9363 21.1205 -5.77549 21.1205 45.2562 GPRESSAVG: 4308800 -20.6181 -28.4811 -4.8737 -27.407 -22.7481 21.6862 -8.05328 18.8302 44.885 TIMING: 4308800 CPU: 13625.2, 0.00317876/step Wall: 13625.2, 0.00317876/step, 0.610322 hours remaining, 237.101562 MB of memory in use. ENERGY: 4308800 3990.1535 20516.2475 14426.6509 233.0180 -203192.3312 2644.2691 0.0000 0.0000 52013.1433 -109368.8489 298.9202 -161381.9922 -108999.6108 299.7103 36.3993 70.3329 761516.4303 0.6899 0.5063 PRESSURE: 4309000 -94.3142 143.259 -1.90871 143.259 -92.1233 -81.3937 -1.90846 -81.3937 617.846 GPRESSURE: 4309000 -9.24968 168.045 -54.1122 115.833 -63.9187 -147.809 15.0408 50.9586 586.807 PRESSAVG: 4309000 -33.4308 -17.5905 19.8385 -17.5905 38.1405 42.5202 19.8384 42.5202 -30.3986 GPRESSAVG: 4309000 -32.9878 -17.7256 19.7672 -18.9777 38.1229 42.4177 20.7508 41.2251 -30.5964 TIMING: 4309000 CPU: 13625.8, 0.00316556/step Wall: 13625.8, 0.00316556/step, 0.607611 hours remaining, 237.101562 MB of memory in use. ENERGY: 4309000 3924.5060 20489.6780 14471.8985 260.0202 -203268.2109 2618.3990 0.0000 0.0000 52190.6598 -109313.0494 299.9404 -161503.7092 -108964.0244 299.5879 143.8027 171.2127 760875.4342 -8.5630 -8.4871 PRESSURE: 4309200 -35.0886 -84.0416 -101.186 -84.0422 114.067 92.8018 -101.185 92.8022 -182.891 GPRESSURE: 4309200 62.3882 -80.1758 16.104 -143.647 158.166 97.9046 -125.002 15.2862 -220.119 PRESSAVG: 4309200 -53.4806 -13.8581 27.18 -13.8581 29.3462 -42.445 27.18 -42.4451 0.509414 GPRESSAVG: 4309200 -53.9567 -14.427 27.0484 -13.7585 28.8695 -43.3176 28.6178 -40.7394 1.1366 TIMING: 4309200 CPU: 13626.5, 0.00319416/step Wall: 13626.5, 0.00319416/step, 0.612924 hours remaining, 237.101562 MB of memory in use. ENERGY: 4309200 3946.4788 20487.8650 14443.5105 256.9430 -202791.0374 2376.8097 0.0000 0.0000 51983.2142 -109296.2162 298.7482 -161279.4304 -108930.5850 299.6282 -34.6378 0.1450 761849.5762 -7.8750 -7.9836 PRESSURE: 4309400 -103.738 -67.5014 14.23 -67.5018 -65.7426 -125.363 14.2305 -125.362 72.1289 GPRESSURE: 4309400 -98.0435 -58.6692 52.7356 -26.4517 -41.7091 -98.8836 -121.935 -67.2175 127.563 PRESSAVG: 4309400 -59.5337 -28.9392 -44.5915 -28.9392 93.2928 -17.0931 -44.5915 -17.0931 -40.8132 GPRESSAVG: 4309400 -59.689 -29.013 -44.1583 -30.4709 93.6082 -16.0465 -46.7856 -18.4401 -41.2667 TIMING: 4309400 CPU: 13627.1, 0.00318526/step Wall: 13627.1, 0.00318526/step, 0.611039 hours remaining, 237.101562 MB of memory in use. ENERGY: 4309400 3948.0431 20542.9999 14481.7771 226.5343 -203182.9648 2481.8334 0.0000 0.0000 52225.7168 -109276.0602 300.1419 -161501.7770 -108911.0606 299.5073 -32.4505 -4.0632 759315.5855 -2.3514 -2.4492 PRESSURE: 4309600 -106.635 27.6447 -56.0644 27.6451 487.994 -9.34111 -56.0642 -9.34109 156.698 GPRESSURE: 4309600 -122.198 56.7402 -14.4022 24.6132 472.106 -98.2636 -56.1748 -43.2977 267.417 PRESSAVG: 4309600 -59.5683 -46.6866 -19.404 -46.6867 23.1336 -12.483 -19.4041 -12.483 5.77506 GPRESSAVG: 4309600 -60.4937 -46.1029 -18.8052 -43.6871 22.93 -12.67 -16.9191 -11.5586 6.57906 TIMING: 4309600 CPU: 13627.7, 0.00320868/step Wall: 13627.7, 0.00320868/step, 0.615353 hours remaining, 237.167969 MB of memory in use. ENERGY: 4309600 3953.7959 20626.4359 14447.3379 255.7771 -203091.0194 2615.9835 0.0000 0.0000 51883.4741 -109308.2148 298.1750 -161191.6890 -108942.8694 299.5121 179.3525 205.7750 759829.7160 -10.2199 -10.3282 PRESSURE: 4309800 18.4977 -316.399 -126.381 -316.4 333.781 69.4987 -126.381 69.4986 -157.643 GPRESSURE: 4309800 106.888 -307.995 -80.9217 -262.832 441.882 -56.0619 -23.3115 226.21 -258.875 PRESSAVG: 4309800 16.0684 -27.0427 -6.4831 -27.0427 51.6312 -44.3089 -6.48307 -44.3089 10.5231 GPRESSAVG: 4309800 15.7063 -27.3924 -7.51681 -29.589 52.2562 -44.3568 -8.01415 -42.9243 10.5077 TIMING: 4309800 CPU: 13628.4, 0.00318236/step Wall: 13628.4, 0.00318236/step, 0.61013 hours remaining, 237.167969 MB of memory in use. ENERGY: 4309800 4071.2202 20486.1502 14505.7970 254.5434 -203440.2257 2702.5668 0.0000 0.0000 51932.6654 -109487.2826 298.4577 -161419.9480 -109113.2674 299.3329 64.8784 96.6318 761335.8102 26.0742 26.1567 PRESSURE: 4310000 -286.354 -133.43 -20.5034 -133.43 -127.38 -201.8 -20.5035 -201.8 29.1479 GPRESSURE: 4310000 -185.312 -96.7782 13.969 -144.036 -169.18 -131.834 -6.01895 -251.421 47.8963 PRESSAVG: 4310000 -67.2266 -34.3446 17.9298 -34.3445 37.9515 19.4004 17.9297 19.4004 17.0734 GPRESSAVG: 4310000 -66.4184 -35.2205 17.4714 -32.7875 37.498 20.0845 18.4402 17.0629 16.6718 TIMING: 4310000 CPU: 13629, 0.00317803/step Wall: 13629, 0.00317803/step, 0.609123 hours remaining, 237.167969 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: 4310000 3976.5149 20542.9093 14464.8694 247.0399 -203511.7094 2611.1101 0.0000 0.0000 52092.7989 -109576.4669 299.3780 -161669.2658 -109220.7343 298.8758 -128.1954 -102.1987 761715.4503 -4.0672 -4.0829 PRESSURE: 4310200 339.289 36.3676 218.253 36.3673 104.446 -117.15 218.254 -117.151 -176.831 GPRESSURE: 4310200 332.599 -51.9528 215.225 -90.9229 145.018 -150.26 166.465 -147.514 -116.705 PRESSAVG: 4310200 -42.4951 -88.7683 30.9149 -88.7683 -3.02437 -13.1209 30.9149 -13.121 -9.06696 GPRESSAVG: 4310200 -41.3777 -89.2621 31.0017 -91.4771 -2.93499 -13.0093 28.7103 -12.0336 -10.4045 TIMING: 4310200 CPU: 13629.6, 0.00318476/step Wall: 13629.6, 0.00318476/step, 0.610236 hours remaining, 237.167969 MB of memory in use. ENERGY: 4310200 4017.4484 20485.9828 14469.6982 249.2456 -203311.6744 2587.6150 0.0000 0.0000 52056.6745 -109445.0099 299.1704 -161501.6845 -109073.3251 299.0095 88.9679 120.3041 760540.2573 -18.1955 -18.2391 PRESSURE: 4310400 -219.603 194.821 -22.1372 194.82 -9.82158 -114.077 -22.1371 -114.078 -556.528 GPRESSURE: 4310400 -169.175 142.415 -45.2437 96.2888 -24.5881 -96.2503 57.7784 -121.687 -503.498 PRESSAVG: 4310400 -19.2243 -46.2523 53.2265 -46.2522 35.6323 -8.47401 53.2265 -8.47403 17.1979 GPRESSAVG: 4310400 -21.4544 -45.9874 54.0157 -43.9129 36.0979 -7.0749 53.8687 -9.62392 18.6732 TIMING: 4310400 CPU: 13630.3, 0.00318245/step Wall: 13630.3, 0.00318245/step, 0.609617 hours remaining, 237.167969 MB of memory in use. ENERGY: 4310400 4017.8758 20554.9918 14467.5198 262.0320 -203163.5062 2420.1022 0.0000 0.0000 51965.7325 -109475.2521 298.6478 -161440.9846 -109112.9159 299.3727 -261.9841 -232.4204 762038.6541 11.2020 11.1056 PRESSURE: 4310600 74.5733 114.934 -159.026 114.934 104.512 122.269 -159.026 122.269 -223.241 GPRESSURE: 4310600 137.146 114.619 -213.674 136.912 60.6976 24.8282 74.1597 140.368 -167.619 PRESSAVG: 4310600 -5.26978 -34.1144 5.11864 -34.1144 20.0098 26.3016 5.1186 26.3015 -11.8509 GPRESSAVG: 4310600 -3.73451 -31.2031 4.00319 -35.6365 18.8713 25.1095 6.49431 26.5991 -12.106 TIMING: 4310600 CPU: 13630.9, 0.00318119/step Wall: 13630.9, 0.00318119/step, 0.609198 hours remaining, 237.167969 MB of memory in use. ENERGY: 4310600 3992.6763 20408.9713 14454.1958 223.5798 -203113.0548 2372.7060 0.0000 0.0000 52056.9002 -109604.0252 299.1717 -161660.9254 -109244.7953 298.9478 -14.7184 10.0748 760957.7806 0.9631 1.0103 PRESSURE: 4310800 136.715 -144.884 -32.8762 -144.885 126.702 -52.5011 -32.8759 -52.5003 214.341 GPRESSURE: 4310800 179.025 -105.061 -30.261 -92.4587 148.161 -46.366 -106.611 -48.4893 234.106 PRESSAVG: 4310800 41.6267 -29.3513 2.41382 -29.3513 -17.2614 8.42663 2.41382 8.42665 8.24795 GPRESSAVG: 4310800 40.555 -29.8608 2.92272 -27.633 -16.6876 7.17221 0.901977 10.4052 8.31927 TIMING: 4310800 CPU: 13631.5, 0.00318403/step Wall: 13631.5, 0.00318403/step, 0.609565 hours remaining, 237.167969 MB of memory in use. ENERGY: 4310800 3977.8209 20363.1735 14472.0646 257.1164 -203587.9120 2802.2525 0.0000 0.0000 52105.2534 -109610.2306 299.4496 -161715.4841 -109251.0729 299.0727 159.2527 187.0975 761982.3322 10.8711 10.7289 PRESSURE: 4311000 366.254 157.03 -35.6463 157.031 86.3786 -113.264 -35.6463 -113.264 -320.172 GPRESSURE: 4311000 337.567 92.6954 41.2056 67.6979 166.879 -90.3919 4.26168 -122.62 -308.396 PRESSAVG: 4311000 -49.7249 -16.924 -29.6179 -16.924 -14.3152 -14.1143 -29.6179 -14.1143 8.88289 GPRESSAVG: 4311000 -48.286 -17.3936 -29.5543 -20.2388 -15.8733 -12.2605 -29.0312 -16.3804 8.9353 TIMING: 4311000 CPU: 13632.2, 0.00316972/step Wall: 13632.2, 0.00316972/step, 0.606649 hours remaining, 237.167969 MB of memory in use. ENERGY: 4311000 3967.2769 20450.1843 14559.8454 249.0089 -203681.3313 2802.0512 0.0000 0.0000 52043.7783 -109609.1863 299.0963 -161652.9645 -109258.6491 298.5805 44.1536 65.3502 760048.1433 -18.3857 -18.4080 PRESSURE: 4311200 204.455 20.9973 4.85635 20.998 414.415 177.321 4.85556 177.321 498.168 GPRESSURE: 4311200 189.513 -87.2452 -18.7793 37.1801 442.266 135.472 -75.3746 310.303 567.404 PRESSAVG: 4311200 9.59171 -12.2834 -35.9566 -12.2834 20.9567 -5.77441 -35.9566 -5.77439 -22.3967 GPRESSAVG: 4311200 9.11803 -13.6186 -34.9895 -11.7041 22.5148 -6.9976 -35.8033 -1.96014 -23.4147 TIMING: 4311200 CPU: 13632.8, 0.00318654/step Wall: 13632.8, 0.00318654/step, 0.609692 hours remaining, 237.167969 MB of memory in use. ENERGY: 4311200 3895.6894 20576.3291 14531.6221 231.0185 -203418.0876 2945.1036 0.0000 0.0000 51691.6927 -109546.6322 297.0729 -161238.3248 -109187.0079 298.8388 372.3456 399.7280 761048.6134 2.7172 2.7394 PRESSURE: 4311400 -3.11714 -160.87 -45.8586 -160.87 -102.795 81.7972 -45.859 81.7969 28.1131 GPRESSURE: 4311400 123.549 -157.227 11.6667 -102.196 -157.672 91.1357 35.399 9.48281 38.5877 PRESSAVG: 4311400 1.94221 -20.4575 -1.25289 -20.4574 15.9437 -15.0807 -1.25282 -15.0807 -6.77329 GPRESSAVG: 4311400 2.37144 -20.683 -3.27489 -18.5277 16.1611 -14.4982 -1.39099 -16.5582 -7.40008 TIMING: 4311400 CPU: 13633.5, 0.0032256/step Wall: 13633.5, 0.0032256/step, 0.616985 hours remaining, 237.167969 MB of memory in use. ENERGY: 4311400 3864.7733 20391.6973 14514.0317 251.6385 -203277.3230 2474.3795 0.0000 0.0000 51939.8619 -109840.9409 298.4991 -161780.8027 -109476.4067 298.3167 -25.9332 1.4879 759940.7248 3.7042 3.7108 PRESSURE: 4311600 -100.962 -224.645 177.687 -224.646 -55.2948 187.828 177.687 187.828 -66.9541 GPRESSURE: 4311600 -141.838 -236.8 117.218 -184.023 25.236 159.81 68.8153 88.9377 -18.4098 PRESSAVG: 4311600 -11.8582 -49.8842 -23.9071 -49.8843 31.7493 12.2476 -23.9071 12.2476 16.5357 GPRESSAVG: 4311600 -12.5109 -48.8176 -24.3881 -49.6631 30.2238 12.5592 -21.6218 10.8295 18.8102 TIMING: 4311600 CPU: 13634.1, 0.003197/step Wall: 13634.1, 0.003197/step, 0.611337 hours remaining, 237.167969 MB of memory in use. ENERGY: 4311600 3956.0324 20449.1260 14461.9952 250.1187 -203373.2989 2412.4477 0.0000 0.0000 52021.8308 -109821.7481 298.9702 -161843.5789 -109460.6225 298.6802 -74.4036 -45.0039 759801.9769 12.1423 12.1744 PRESSURE: 4311800 -165.728 -67.5438 -25.9416 -67.5439 -89.3437 -73.3319 -25.9411 -73.3327 -75.4505 GPRESSURE: 4311800 -160.857 4.42945 -0.759399 -152.631 -41.7181 5.71489 -38.5478 -20.9732 -37.2662 PRESSAVG: 4311800 -16.8983 -50.5187 44.2998 -50.5186 40.496 36.2885 44.2998 36.2884 5.98679 GPRESSAVG: 4311800 -17.4759 -50.6771 46.9764 -50.7478 42.1904 35.1871 40.8123 37.4204 5.03283 TIMING: 4311800 CPU: 13634.7, 0.00317389/step Wall: 13634.7, 0.00317389/step, 0.606742 hours remaining, 237.167969 MB of memory in use. ENERGY: 4311800 3990.8169 20509.6354 14474.8750 225.0599 -203674.0053 2506.5495 0.0000 0.0000 52061.1594 -109905.9093 299.1962 -161967.0687 -109542.0071 298.7883 -110.1740 -79.9472 761413.2848 9.8615 9.9158 PRESSURE: 4312000 -25.9814 156.445 137.637 156.446 145.07 80.0605 137.637 80.0599 227.188 GPRESSURE: 4312000 8.75517 3.35008 137.407 222.59 127.797 121.72 188.253 113.49 286.401 PRESSAVG: 4312000 -54.6264 -4.57448 23.9735 -4.57449 63.1246 24.8389 23.9736 24.8389 9.19771 GPRESSAVG: 4312000 -54.0695 -6.53222 22.3115 -4.43592 62.5548 25.6341 25.7908 22.3167 8.91161 TIMING: 4312000 CPU: 13635.4, 0.00319989/step Wall: 13635.4, 0.00319989/step, 0.611535 hours remaining, 237.167969 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: 4312000 3987.8781 20544.4934 14466.4044 220.7580 -203778.2371 2597.2233 0.0000 0.0000 52016.7617 -109944.7180 298.9410 -161961.4798 -109579.7912 298.4502 115.4256 140.9842 760605.3570 5.8986 5.7990 PRESSURE: 4312200 -96.0279 -12.8643 -88.6196 -12.8641 -205.631 63.6256 -88.6207 63.6262 -267.982 GPRESSURE: 4312200 -24.2135 42.4373 -50.7882 -22.7575 -160.601 118.203 -12.4874 -50.4933 -289.882 PRESSAVG: 4312200 -13.1943 33.9668 2.74389 33.9668 30.7105 -10.9448 2.7438 -10.9449 -0.317765 GPRESSAVG: 4312200 -12.9439 34.1325 2.33841 32.5639 30.7039 -10.9695 2.9244 -9.83826 -0.276257 TIMING: 4312200 CPU: 13636, 0.00320717/step Wall: 13636, 0.00320717/step, 0.612748 hours remaining, 237.167969 MB of memory in use. ENERGY: 4312200 3980.7500 20463.3338 14477.9149 257.5152 -203209.8640 2357.7107 0.0000 0.0000 51669.7239 -110002.9156 296.9466 -161672.6395 -109635.2259 298.4461 -189.8801 -158.2320 760693.1925 5.7328 5.8279 LDB: ============= START OF LOAD BALANCING ============== 13648.6 LDB: ============== END OF LOAD BALANCING =============== 13648.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13648.6 LDB: ============= START OF LOAD BALANCING ============== 13648.9 LDB: Largest compute 7067 load 0.035517 is 18.2% of average load 0.195611 LDB: Average compute 0.004431 is 2.3% of average load 0.195611 LDB: TIME 13648.9 LOAD: AVG 0.195611 MAX 0.213724 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 13648.9 LOAD: AVG 0.195611 MAX 0.213724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: TIME 13648.9 LOAD: AVG 0.195611 MAX 0.213724 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.375 MB LDB: ============== END OF LOAD BALANCING =============== 13648.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13648.9 PRESSURE: 4312400 -442.765 160.143 -252.08 160.142 -107.365 -158.291 -252.082 -158.292 -159.914 GPRESSURE: 4312400 -378.055 122.369 -153.54 56.9503 -47.6187 -194.446 -237.613 -293.923 -178.593 PRESSAVG: 4312400 37.7958 0.114983 -30.6394 0.114956 0.337373 -58.0058 -30.6394 -58.0058 -5.75472 GPRESSAVG: 4312400 37.1788 -0.573193 -30.7404 1.68502 1.19237 -57.6191 -29.6042 -58.8901 -6.10916 TIMING: 4312400 CPU: 13636.7, 0.00328232/step Wall: 13636.7, 0.00328232/step, 0.626923 hours remaining, 234.816406 MB of memory in use. ENERGY: 4312400 3882.9050 20453.4919 14471.6329 253.0660 -203023.4447 2141.6114 0.0000 0.0000 52183.3905 -109637.3470 299.8987 -161820.7375 -109271.5970 298.4021 -236.6815 -201.4222 761608.1181 10.7928 10.7540 PRESSURE: 4312600 -201.023 -264.32 -79.0557 -264.321 90.4049 60.5448 -79.056 60.5449 231.555 GPRESSURE: 4312600 -154.722 -234.352 -99.4532 -253.432 84.8088 89.1061 -114.786 29.9719 271.448 PRESSAVG: 4312600 0.149473 -45.6161 -15.0312 -45.6161 -14.4401 -25.6921 -15.0311 -25.6921 10.1529 GPRESSAVG: 4312600 1.02896 -44.1792 -14.8959 -45.5941 -16.2276 -26.8653 -15.0985 -21.8817 10.5661 TIMING: 4312600 CPU: 13637.3, 0.00320265/step Wall: 13637.3, 0.00320265/step, 0.611528 hours remaining, 235.019531 MB of memory in use. ENERGY: 4312600 3930.5809 20484.2369 14514.3826 249.1812 -203325.9827 2511.1287 0.0000 0.0000 51933.0776 -109703.3948 298.4601 -161636.4724 -109342.2467 298.5938 40.3125 67.1783 760547.5418 -1.3793 -1.5442 PRESSURE: 4312800 -224.666 -106.835 -231.794 -106.835 -99.2811 -70.6801 -231.794 -70.6803 -21.3963 GPRESSURE: 4312800 -139.514 -117.807 -213.487 -98.0667 -129.713 -72.3506 -235.222 -56.4289 14.2308 PRESSAVG: 4312800 1.7187 -26.1438 -4.47147 -26.1438 61.7414 -30.0104 -4.47142 -30.0103 7.44297 GPRESSAVG: 4312800 1.42092 -26.2817 -3.44721 -26.8933 61.7688 -28.7007 -6.373 -33.6737 7.18311 TIMING: 4312800 CPU: 13638, 0.00320984/step Wall: 13638, 0.00320984/step, 0.612722 hours remaining, 235.019531 MB of memory in use. ENERGY: 4312800 3864.2865 20400.8018 14487.6846 253.8742 -203040.4480 2380.0789 0.0000 0.0000 51891.1378 -109762.5841 298.2191 -161653.7219 -109402.4084 298.2954 -115.1143 -84.9986 761511.5391 23.6344 23.4576 PRESSURE: 4313000 58.1363 -133.791 16.4178 -133.791 134.486 110.284 16.418 110.283 -517.989 GPRESSURE: 4313000 97.7052 -128.542 6.92904 -111.014 75.6343 144.911 -31.5929 205.365 -420.436 PRESSAVG: 4313000 43.1957 -2.0424 58.95 -2.04243 -57.7704 -8.20298 58.9499 -8.20298 7.68274 GPRESSAVG: 4313000 44.7328 -1.60064 58.4787 0.369006 -58.4672 -9.31832 59.5039 -6.15591 7.01824 TIMING: 4313000 CPU: 13638.6, 0.00321479/step Wall: 13638.6, 0.00321479/step, 0.613488 hours remaining, 235.210938 MB of memory in use. ENERGY: 4313000 3929.6232 20425.3069 14417.3875 248.6194 -202976.5059 2351.4167 0.0000 0.0000 51926.9803 -109677.1719 298.4251 -161604.1522 -109309.9683 298.2334 -108.4555 -82.3654 760191.7471 -2.2973 -2.2387 PRESSURE: 4313200 -148.078 -32.7476 -23.9527 -32.7475 163.586 -209.52 -23.9527 -209.519 249.233 GPRESSURE: 4313200 -114.34 -84.9412 -89.0609 -71.4837 116.974 -179.375 43.7084 -121.903 335.685 PRESSAVG: 4313200 7.23485 -71.2584 52.9467 -71.2585 12.4631 40.1643 52.9467 40.1644 -32.4082 GPRESSAVG: 4313200 5.70984 -70.1647 53.189 -73.6779 12.8094 40.618 53.3451 37.7595 -31.1693 TIMING: 4313200 CPU: 13639.2, 0.00322116/step Wall: 13639.2, 0.00322116/step, 0.614526 hours remaining, 235.210938 MB of memory in use. ENERGY: 4313200 3954.4046 20525.1203 14486.1507 245.2280 -203151.4996 2461.5855 0.0000 0.0000 51830.2697 -109648.7408 297.8693 -161479.0104 -109294.9864 298.3284 88.2469 112.7730 761989.9727 -4.2367 -4.2167 PRESSURE: 4313400 123.969 126.953 -50.665 126.953 43.9677 52.8782 -50.6658 52.8776 71.1039 GPRESSURE: 4313400 221.522 64.4365 -57.5673 89.778 48.9998 53.6586 -25.8524 28.2677 54.3135 PRESSAVG: 4313400 10.567 -45.8346 -14.4005 -45.8346 -32.3066 -45.3315 -14.4005 -45.3315 23.7903 GPRESSAVG: 4313400 11.5362 -48.0349 -14.5321 -45.9724 -32.5937 -45.6685 -14.5969 -43.9116 23.3986 TIMING: 4313400 CPU: 13639.9, 0.00324005/step Wall: 13639.9, 0.00324005/step, 0.617949 hours remaining, 235.210938 MB of memory in use. ENERGY: 4313400 3943.2754 20382.9720 14558.7107 257.0965 -203427.0996 2708.7946 0.0000 0.0000 51813.5885 -109762.6619 297.7734 -161576.2504 -109394.3974 298.1797 79.6802 108.2784 762262.9758 0.6836 0.7804 PRESSURE: 4313600 -289.214 -102.44 259.36 -102.441 -222.269 214.268 259.359 214.268 -383.846 GPRESSURE: 4313600 -270.324 -69.9402 185.856 -116.086 -277.187 228.403 217.86 189.053 -273.067 PRESSAVG: 4313600 -8.78424 -17.5706 7.07952 -17.5706 3.77635 39.7922 7.07956 39.7923 10.6108 GPRESSAVG: 4313600 -9.78366 -17.0926 7.25297 -18.7983 5.16248 40.204 5.89934 39.49 10.1356 TIMING: 4313600 CPU: 13640.5, 0.00319942/step Wall: 13640.5, 0.00319942/step, 0.610023 hours remaining, 235.210938 MB of memory in use. ENERGY: 4313600 4050.3977 20451.4055 14486.8690 250.4407 -203685.2527 2831.5226 0.0000 0.0000 52084.4261 -109530.1912 299.3299 -161614.6173 -109174.4376 298.4583 -298.4430 -273.5263 762498.0370 1.8676 1.8381 PRESSURE: 4313800 -551.605 -58.1097 189.482 -58.1094 -393.826 -90.2895 189.482 -90.2905 -297.722 GPRESSURE: 4313800 -536.451 -56.8937 172.198 -58.1266 -447.916 -114.501 206.878 -82.595 -179.995 PRESSAVG: 4313800 45.5783 -15.3497 11.5177 -15.3496 -74.8996 -13.3267 11.5177 -13.3267 -8.03695 GPRESSAVG: 4313800 46.3405 -16.3027 11.422 -13.8507 -77.3802 -13.4501 12.2354 -13.2009 -5.85693 TIMING: 4313800 CPU: 13641.2, 0.00320925/step Wall: 13641.2, 0.00320925/step, 0.611718 hours remaining, 235.210938 MB of memory in use. ENERGY: 4313800 4007.1141 20579.6341 14478.2034 250.0227 -203329.9662 2274.1817 0.0000 0.0000 52051.4332 -109689.3769 299.1403 -161740.8101 -109337.4116 298.3741 -414.3844 -388.1209 762679.7623 -12.4527 -12.2989 PRESSURE: 4314000 -375.647 -173.716 -221.443 -173.716 -40.2734 -68.4289 -221.443 -68.4287 -148.997 GPRESSURE: 4314000 -338.361 -49.4068 -243.505 -194.104 -26.1868 -111.06 -158.326 -109.89 -103.485 PRESSAVG: 4314000 10.3838 -17.957 -36.4439 -17.9569 -23.9683 14.0753 -36.4439 14.0753 -19.6552 GPRESSAVG: 4314000 9.85772 -14.8611 -36.2606 -18.3911 -23.209 11.2105 -37.8397 15.4449 -20.1638 TIMING: 4314000 CPU: 13641.8, 0.00322112/step Wall: 13641.8, 0.00322112/step, 0.613803 hours remaining, 235.210938 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: 4314000 3996.6614 20438.6409 14513.0139 254.0525 -203387.2451 2463.4606 0.0000 0.0000 52002.6711 -109718.7447 298.8601 -161721.4158 -109359.2498 298.7855 -188.3056 -156.0109 760503.8487 -11.0799 -11.1717 PRESSURE: 4314200 -39.3278 169.822 -111.969 169.822 46.9338 182.179 -111.97 182.179 496.212 GPRESSURE: 4314200 12.828 315.097 0.242642 43.3042 157.351 92.6058 -5.02548 36.1014 429.565 PRESSAVG: 4314200 -24.3115 -39.3693 -32.9249 -39.3693 -4.77428 9.37549 -32.9249 9.37539 -14.517 GPRESSAVG: 4314200 -24.0806 -40.5593 -33.4863 -38.5477 -3.87328 10.973 -32.4258 10.7973 -15.2874 TIMING: 4314200 CPU: 13642.5, 0.00320286/step Wall: 13642.5, 0.00320286/step, 0.610144 hours remaining, 235.210938 MB of memory in use. ENERGY: 4314200 3964.8665 20456.6503 14515.3790 253.9122 -203441.9688 2613.4640 0.0000 0.0000 51843.0702 -109794.6266 297.9428 -161637.6968 -109447.9419 298.2467 167.9393 199.9145 759632.0391 -14.5342 -14.4138 PRESSURE: 4314400 35.1763 29.3986 -232.339 29.3994 65.9444 -83.0769 -232.338 -83.0767 246.225 GPRESSURE: 4314400 114.181 -1.58521 -282.375 -47.8614 70.0018 -20.5514 -182.197 15.6205 257.568 PRESSAVG: 4314400 45.5565 -45.7302 -4.56229 -45.7302 -0.00275068 -26.68 -4.56231 -26.68 4.84906 GPRESSAVG: 4314400 45.5395 -45.0642 -4.12071 -46.8581 0.907125 -26.1352 -2.07835 -27.0505 4.15455 TIMING: 4314400 CPU: 13643.1, 0.00315616/step Wall: 13643.1, 0.00315616/step, 0.601074 hours remaining, 235.210938 MB of memory in use. ENERGY: 4314400 3976.9341 20523.3697 14510.6662 268.2454 -203304.2441 2660.5345 0.0000 0.0000 51847.4664 -109517.0279 297.9681 -161364.4943 -109154.4072 298.3211 115.7819 147.2501 760294.4938 16.8009 16.8671 PRESSURE: 4314600 -11.5318 107.555 67.5365 107.556 -146.483 318.603 67.5374 318.603 -228.79 GPRESSURE: 4314600 -41.2033 142.431 104.266 102.88 -39.2874 372.559 53.5474 252.332 -244.876 PRESSAVG: 4314600 -44.9729 -49.9805 10.0639 -49.9804 35.289 38.0607 10.0638 38.0607 -30.804 GPRESSAVG: 4314600 -43.8584 -51.3664 9.4813 -50.4303 33.8765 39.5932 8.56007 36.7051 -30.5342 TIMING: 4314600 CPU: 13643.7, 0.00317606/step Wall: 13643.7, 0.00317606/step, 0.604686 hours remaining, 235.210938 MB of memory in use. ENERGY: 4314600 4075.8608 20330.9040 14476.4572 225.9448 -203346.2203 2508.0669 0.0000 0.0000 52157.3910 -109571.5955 299.7492 -161728.9866 -109207.5359 298.6814 -128.9350 -108.4557 762162.5182 -13.4960 -13.5054 PRESSURE: 4314800 -111.699 -123.066 122.259 -123.066 -177.741 165.871 122.26 165.871 -597.753 GPRESSURE: 4314800 -113.851 -140.91 236.244 -66.2143 -160.827 215.327 133.386 36.4106 -530.724 PRESSAVG: 4314800 5.73541 -67.218 -29.1865 -67.218 -48.7574 50.5095 -29.1865 50.5095 8.42172 GPRESSAVG: 4314800 4.4709 -67.8569 -29.4521 -64.5455 -47.1171 49.3798 -28.2798 49.4388 7.87269 TIMING: 4314800 CPU: 13644.4, 0.00314539/step Wall: 13644.4, 0.00314539/step, 0.598673 hours remaining, 235.210938 MB of memory in use. ENERGY: 4314800 4117.6935 20426.9268 14438.1383 249.5786 -203296.9506 2321.6619 0.0000 0.0000 52059.8980 -109683.0534 299.1889 -161742.9514 -109326.1040 299.0800 -295.7311 -268.4674 761739.9937 -11.5334 -11.5912 PRESSURE: 4315000 -56.0766 159.976 -18.5161 159.976 -192.223 4.42302 -18.5168 4.42343 -116.977 GPRESSURE: 4315000 13.2599 135.749 -63.1779 231.691 -149.62 7.14671 32.1635 -18.7455 -114.19 PRESSAVG: 4315000 14.5776 -73.6947 -3.86686 -73.6948 7.63755 -25.6182 -3.86688 -25.6181 27.7756 GPRESSAVG: 4315000 14.4678 -72.6109 -3.24326 -76.6417 6.45711 -26.1445 -3.87502 -26.0704 28.8587 TIMING: 4315000 CPU: 13645, 0.00318294/step Wall: 13645, 0.00318294/step, 0.605643 hours remaining, 235.210938 MB of memory in use. ENERGY: 4315000 4050.6758 20599.3344 14461.7037 242.4973 -203181.2819 2451.6021 0.0000 0.0000 51698.4211 -109677.0475 297.1115 -161375.4686 -109316.9916 298.9708 -121.7587 -83.5168 761795.2577 16.6636 16.5946 PRESSURE: 4315200 -60.6553 89.6457 112.811 89.6461 235.296 -60.6624 112.812 -60.6609 249.652 GPRESSURE: 4315200 53.8628 116.229 10.6721 108.547 230.588 -9.83054 -50.6924 -106.749 228.399 PRESSAVG: 4315200 1.50835 -9.92629 -31.5324 -9.92632 3.66748 21.1957 -31.5323 21.1956 3.4351 GPRESSAVG: 4315200 1.55266 -9.12141 -31.475 -9.18205 4.00388 20.9225 -33.3146 22.847 2.82869 TIMING: 4315200 CPU: 13645.6, 0.00320815/step Wall: 13645.6, 0.00320815/step, 0.610262 hours remaining, 235.210938 MB of memory in use. ENERGY: 4315200 3933.8391 20443.2275 14437.7378 241.1679 -203353.4372 2557.5348 0.0000 0.0000 51746.6623 -109993.2678 297.3888 -161739.9301 -109622.3301 298.2842 141.4307 170.9498 758718.5720 2.8703 2.7951 PRESSURE: 4315400 -472.626 -311.367 -151.776 -311.367 -176.908 -107.618 -151.776 -107.618 -533.765 GPRESSURE: 4315400 -401.744 -321.232 -169.45 -218.029 -180.855 21.9272 -86.9529 -80.3709 -529.8 PRESSAVG: 4315400 24.3489 -41.0642 52.9231 -41.0642 20.7067 29.7222 52.9232 29.7222 -3.0026 GPRESSAVG: 4315400 24.2377 -42.5338 51.4099 -41.0571 20.4649 31.0215 52.2339 32.6277 -2.56345 TIMING: 4315400 CPU: 13646.3, 0.00320531/step Wall: 13646.3, 0.00320531/step, 0.609543 hours remaining, 235.210938 MB of memory in use. ENERGY: 4315400 3946.2403 20515.1907 14531.3759 259.9457 -203496.6384 2469.1355 0.0000 0.0000 51708.6138 -110066.1365 297.1701 -161774.7504 -109704.3108 298.2916 -394.4331 -370.7997 762104.8915 14.0177 14.0464 PRESSURE: 4315600 -78.3874 -36.9187 260.445 -36.9186 -237.937 -61.4156 260.445 -61.4162 -47.3851 GPRESSURE: 4315600 -28.6042 -24.0758 204.51 41.7501 -201.591 -76.9091 189.433 -30.8651 -52.4975 PRESSAVG: 4315600 25.9456 -49.8326 28.2325 -49.8327 -13.8872 13.5155 28.2325 13.5155 -1.62115 GPRESSAVG: 4315600 26.1408 -49.2956 29.3082 -48.8521 -13.3262 13.0226 29.8498 10.4566 -1.97227 TIMING: 4315600 CPU: 13646.9, 0.00317643/step Wall: 13646.9, 0.00317643/step, 0.603875 hours remaining, 235.210938 MB of memory in use. ENERGY: 4315600 3961.9902 20440.8904 14480.6827 259.1606 -203280.8593 2343.0427 0.0000 0.0000 51681.2608 -110113.8319 297.0129 -161795.0927 -109767.9610 297.9411 -121.2364 -94.2308 761249.8181 3.4791 3.6141 PRESSURE: 4315800 -31.1615 108.536 84.1545 108.536 44.4203 -89.4062 84.1539 -89.4061 369.054 GPRESSURE: 4315800 15.2483 52.0895 76.9109 186.42 105.913 -194.524 43.6526 82.6331 363.373 PRESSAVG: 4315800 44.1613 3.43535 13.4398 3.4354 -78.6539 27.5074 13.4398 27.5075 -7.83817 GPRESSAVG: 4315800 43.9074 4.98372 13.1776 3.74061 -78.8954 26.2769 14.6473 29.6895 -6.7149 TIMING: 4315800 CPU: 13647.5, 0.00318087/step Wall: 13647.5, 0.00318087/step, 0.604543 hours remaining, 235.210938 MB of memory in use. ENERGY: 4315800 3984.2309 20383.2421 14521.8163 251.9139 -203722.6713 2870.3244 0.0000 0.0000 51757.9280 -109953.2157 297.4535 -161711.1436 -109598.0590 297.9366 127.4375 161.5113 758823.8342 -14.1103 -13.9010 PRESSURE: 4316000 -279.782 263.554 2.80617 263.555 258.336 45.3065 2.80545 45.3057 235.099 GPRESSURE: 4316000 -202.953 104.814 22.7581 129.132 195.113 114.863 -118.266 136.145 332.57 PRESSAVG: 4316000 20.4656 14.8473 55.1313 14.8472 -22.0583 -30.6947 55.1312 -30.6947 19.9315 GPRESSAVG: 4316000 20.3828 14.9233 56.8286 12.6636 -21.3297 -30.5475 52.5693 -31.0167 19.7634 TIMING: 4316000 CPU: 13648.2, 0.00316769/step Wall: 13648.2, 0.00316769/step, 0.601862 hours remaining, 235.210938 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: 4316000 3924.4653 20283.3201 14530.0259 233.0187 -203817.1585 2840.9877 0.0000 0.0000 51995.7839 -110009.5570 298.8205 -162005.3409 -109645.7050 297.8320 71.2175 108.2430 758816.9656 6.1130 6.2721 PRESSURE: 4316200 329.034 -96.2822 -118.649 -96.2825 34.6123 -79.7903 -118.649 -79.7899 -22.8706 GPRESSURE: 4316200 356.252 -185.861 -85.104 -56.4698 65.3404 -59.7528 -89.3293 -77.2517 -20.4628 PRESSAVG: 4316200 15.4228 -15.9856 39.178 -15.9856 27.7631 14.0629 39.1781 14.0628 -14.7032 GPRESSAVG: 4316200 14.7809 -17.6302 38.7909 -15.1723 27.5679 12.8952 39.5993 13.0175 -13.9899 TIMING: 4316200 CPU: 13648.8, 0.00316967/step Wall: 13648.8, 0.00316968/step, 0.602062 hours remaining, 235.210938 MB of memory in use. ENERGY: 4316200 3967.5854 20333.7582 14524.0028 241.6090 -203801.0989 2956.0839 0.0000 0.0000 51905.8721 -109872.1875 298.3038 -161778.0596 -109512.1168 298.0723 113.5918 133.7097 759623.4961 9.4942 9.4530 LDB: ============= START OF LOAD BALANCING ============== 13661.4 LDB: ============== END OF LOAD BALANCING =============== 13661.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13661.4 LDB: ============= START OF LOAD BALANCING ============== 13661.7 LDB: Largest compute 7067 load 0.035837 is 18.3% of average load 0.195550 LDB: Average compute 0.004414 is 2.3% of average load 0.195550 LDB: TIME 13661.7 LOAD: AVG 0.19555 MAX 0.214194 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.574 MB LDB: TIME 13661.7 LOAD: AVG 0.19555 MAX 0.214194 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.672 MB LDB: TIME 13661.7 LOAD: AVG 0.19555 MAX 0.214194 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.672 MB LDB: ============== END OF LOAD BALANCING =============== 13661.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13661.7 PRESSURE: 4316400 102.947 -110.114 -212.862 -110.114 -389.347 41.1383 -212.862 41.1381 181.53 GPRESSURE: 4316400 151.55 -67.6377 -180.171 -121.079 -262.272 204.75 -191.91 -119.68 107.132 PRESSAVG: 4316400 30.6347 -34.442 -2.2541 -34.4421 -28.3503 -20.8467 -2.25411 -20.8467 -21.0599 GPRESSAVG: 4316400 33.3844 -34.8773 -4.23887 -33.7514 -27.9189 -16.6551 1.44395 -20.2285 -23.9144 TIMING: 4316400 CPU: 13649.5, 0.00325325/step Wall: 13649.5, 0.00325325/step, 0.617757 hours remaining, 236.246094 MB of memory in use. ENERGY: 4316400 3889.7195 20437.2474 14465.1807 242.2594 -203744.1519 2705.9551 0.0000 0.0000 52155.1887 -109848.6011 299.7366 -162003.7898 -109482.0594 298.6746 -34.9569 -1.1967 760791.9082 -6.2585 -6.1496 PRESSURE: 4316600 162.75 -186.198 7.14541 -186.199 -212.496 20.7101 7.14431 20.7097 -110.18 GPRESSURE: 4316600 142.653 -160.267 11.3195 -225.852 -137.48 -13.44 22.7685 -7.90215 -87.8363 PRESSAVG: 4316600 3.15536 5.71715 11.2639 5.71717 15.0336 24.387 11.2638 24.387 -7.33976 GPRESSAVG: 4316600 1.92087 7.8834 12.308 4.506 13.7101 20.6316 9.04305 22.9723 -5.0498 TIMING: 4316600 CPU: 13650.1, 0.0031801/step Wall: 13650.1, 0.0031801/step, 0.603689 hours remaining, 236.500000 MB of memory in use. ENERGY: 4316600 3947.4475 20355.5591 14480.2964 250.5177 -203245.9615 2525.5142 0.0000 0.0000 51875.1701 -109811.4565 298.1273 -161686.6266 -109447.3498 298.1114 -53.3089 -27.5545 760211.3231 3.6164 3.5271 PRESSURE: 4316800 57.0181 22.2929 -20.1286 22.294 30.7529 79.8915 -20.1282 79.8909 -206.78 GPRESSURE: 4316800 134.413 39.1855 -31.0774 210.335 23.4461 37.5689 -54.6345 84.2091 -199.582 PRESSAVG: 4316800 -22.2184 -0.568884 71.5437 -0.568839 46.4598 56.0321 71.5437 56.0321 11.1483 GPRESSAVG: 4316800 -21.8598 -2.18301 71.7219 0.346333 45.3781 57.9544 69.9401 58.6248 11.1733 TIMING: 4316800 CPU: 13650.7, 0.00318583/step Wall: 13650.7, 0.00318583/step, 0.604599 hours remaining, 236.500000 MB of memory in use. ENERGY: 4316800 4017.1794 20360.4873 14459.4123 249.5907 -203581.6699 2781.3117 0.0000 0.0000 52170.8356 -109542.8529 299.8265 -161713.6885 -109176.5950 298.2984 -39.6696 -13.9075 760456.4358 11.7966 11.5638 PRESSURE: 4317000 -219.135 -46.8196 -175.731 -46.8195 -84.5896 382.915 -175.73 382.915 -26.3989 GPRESSURE: 4317000 -149.922 54.2711 -152.138 -54.4003 -76.2535 232.338 -204.813 351.44 4.15534 PRESSAVG: 4317000 12.754 -20.4467 -29.9454 -20.4467 14.9946 20.5627 -29.9454 20.5627 23.2778 GPRESSAVG: 4317000 11.8369 -18.9183 -30.311 -21.5181 16.0822 18.9104 -28.608 18.9177 23.003 TIMING: 4317000 CPU: 13651.4, 0.00319925/step Wall: 13651.4, 0.00319925/step, 0.606969 hours remaining, 236.500000 MB of memory in use. ENERGY: 4317000 3998.5628 20437.3573 14456.7315 242.1616 -203169.3511 2575.0795 0.0000 0.0000 52101.3572 -109358.1012 299.4272 -161459.4584 -108987.2066 299.3790 -110.0413 -74.0068 761766.4894 17.0088 16.9740 PRESSURE: 4317200 -7.52195 -236.078 -6.50002 -236.079 -188.108 64.3443 -6.50071 64.3437 16.2734 GPRESSURE: 4317200 32.3033 -230.819 17.7006 -220.602 -173.615 95.3122 -38.5934 108.132 26.5928 PRESSAVG: 4317200 23.1422 -8.59504 0.729572 -8.59505 -8.39402 -8.19702 0.729581 -8.19697 10.8121 GPRESSAVG: 4317200 24.1906 -9.90742 0.811782 -7.05259 -9.22798 -6.91782 -0.290914 -7.65951 10.2774 TIMING: 4317200 CPU: 13652, 0.00318963/step Wall: 13652, 0.00318963/step, 0.604966 hours remaining, 236.500000 MB of memory in use. ENERGY: 4317200 3992.1334 20550.7855 14462.2265 242.0236 -203192.4768 2606.6154 0.0000 0.0000 51960.9488 -109377.7435 298.6203 -161338.6923 -109010.2809 299.6399 -59.7855 -38.2396 759272.2114 8.5201 8.4133 PRESSURE: 4317400 -13.4544 168.985 -132.558 168.985 -45.8243 180.571 -132.558 180.571 -302.877 GPRESSURE: 4317400 -53.0899 79.9567 -123.303 99.2746 9.04463 184.203 -84.7158 97.8216 -230.32 PRESSAVG: 4317400 -0.792039 15.9475 13.3598 15.9475 -14.9153 -25.8215 13.3598 -25.8215 5.14117 GPRESSAVG: 4317400 -1.99594 15.4452 12.1489 14.5091 -13.4284 -25.6215 15.1479 -25.7241 5.41258 TIMING: 4317400 CPU: 13652.7, 0.00318391/step Wall: 13652.7, 0.00318391/step, 0.603704 hours remaining, 236.500000 MB of memory in use. ENERGY: 4317400 3985.6352 20494.4904 14431.0616 254.7971 -203569.1292 2864.2372 0.0000 0.0000 52220.3476 -109318.5600 300.1111 -161538.9076 -108952.0809 298.8866 -120.7187 -91.4552 761498.5538 -3.5221 -3.3373 PRESSURE: 4317600 21.6342 70.4281 78.3681 70.428 -49.7099 9.48498 78.3676 9.48452 -147.679 GPRESSURE: 4317600 42.718 -24.7525 33.3194 40.6767 52.9901 -37.2135 165.366 -54.9275 -155.876 PRESSAVG: 4317600 -21.1327 12.3939 21.1805 12.3939 -6.91948 17.0088 21.1806 17.0087 18.544 GPRESSAVG: 4317600 -19.6459 12.5337 21.6059 11.1907 -7.92892 15.4609 18.9094 18.3036 18.1795 TIMING: 4317600 CPU: 13653.3, 0.00317629/step Wall: 13653.3, 0.00317629/step, 0.602083 hours remaining, 236.500000 MB of memory in use. ENERGY: 4317600 4044.8016 20584.1684 14552.4498 244.4308 -203169.6557 2454.1550 0.0000 0.0000 51902.5007 -109387.1494 298.2844 -161289.6501 -109029.1268 299.2966 -58.5848 -20.0560 760400.6502 -3.1694 -3.1318 PRESSURE: 4317800 65.0822 163.521 107.786 163.521 345.208 -8.44067 107.786 -8.4407 41.016 GPRESSURE: 4317800 171.985 124.014 -30.5766 45.1748 272.424 63.8459 188.786 -109.423 103.264 PRESSAVG: 4317800 -13.4499 5.65083 12.1693 5.65094 -6.66027 -49.971 12.1693 -49.971 -14.252 GPRESSAVG: 4317800 -13.3072 5.23729 13.9901 6.6829 -7.06529 -49.7509 13.8066 -50.955 -14.0946 TIMING: 4317800 CPU: 13653.9, 0.00316443/step Wall: 13653.9, 0.00316443/step, 0.599659 hours remaining, 236.500000 MB of memory in use. ENERGY: 4317800 3984.5018 20592.8888 14450.3029 251.4447 -203523.3916 2782.3231 0.0000 0.0000 52123.8803 -109338.0500 299.5567 -161461.9303 -108988.5794 299.1981 150.4352 182.5577 760743.3378 -11.4540 -11.4890 PRESSURE: 4318000 -157.688 -189.293 -125.508 -189.293 -17.2424 -96.0682 -125.508 -96.0681 193.258 GPRESSURE: 4318000 -126.355 -100.682 -103.274 -162.599 -24.2554 -118.497 -22.2514 3.30157 262.602 PRESSAVG: 4318000 10.3772 -64.6132 36.3974 -64.6131 7.83425 -45.4004 36.3974 -45.4004 -26.2772 GPRESSAVG: 4318000 9.87828 -63.5197 35.4501 -65.277 8.61561 -45.2318 37.2919 -45.5148 -25.8157 TIMING: 4318000 CPU: 13654.6, 0.00317425/step Wall: 13654.6, 0.00317425/step, 0.601344 hours remaining, 236.500000 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: 4318000 3965.3343 20593.9230 14560.8901 247.4524 -203363.7297 2606.4061 0.0000 0.0000 52031.7526 -109357.9711 299.0272 -161389.7238 -108996.3576 299.6031 6.1091 37.3304 761247.0066 -2.6886 -2.4406 PRESSURE: 4318200 62.9253 59.0685 -26.8061 59.0683 -153.351 85.3159 -26.8068 85.3147 -403.727 GPRESSURE: 4318200 8.72649 30.7477 11.9393 -34.3634 -118.857 24.5614 -4.36158 5.88783 -327.483 PRESSAVG: 4318200 -11.062 -47.6308 39.0374 -47.6308 9.8013 -61.0165 39.0374 -61.0165 -0.815788 GPRESSAVG: 4318200 -11.1741 -48.0563 38.496 -44.8519 9.44779 -59.8744 39.1071 -60.5717 -0.551142 TIMING: 4318200 CPU: 13655.2, 0.00317188/step Wall: 13655.2, 0.00317188/step, 0.600719 hours remaining, 236.500000 MB of memory in use. ENERGY: 4318200 4029.6455 20461.8285 14509.0511 265.6434 -203404.3860 2645.2878 0.0000 0.0000 52193.1351 -109299.7947 299.9547 -161492.9297 -108935.0769 299.4551 -164.7175 -145.8710 759687.9082 -0.6922 -0.7591 PRESSURE: 4318400 -431.879 -286.936 -150.421 -286.936 -217.784 -191.163 -150.421 -191.162 -689.211 GPRESSURE: 4318400 -400.333 -250.768 -124.114 -287.614 -148.56 -133.193 -89.8602 -100.117 -714.193 PRESSAVG: 4318400 37.5153 -24.5934 -1.4375 -24.5935 -14.976 -22.3116 -1.43748 -22.3116 -12.7696 GPRESSAVG: 4318400 38.5774 -24.4895 -0.645919 -25.1979 -15.0371 -22.5959 -1.08504 -21.7621 -13.8991 TIMING: 4318400 CPU: 13655.8, 0.00315815/step Wall: 13655.8, 0.00315815/step, 0.597942 hours remaining, 236.500000 MB of memory in use. ENERGY: 4318400 4105.2110 20614.3893 14499.5593 244.1712 -203278.3897 2466.8964 0.0000 0.0000 52003.9137 -109344.2489 298.8672 -161348.1626 -108987.0710 299.5309 -446.2912 -421.0285 761958.5924 3.2566 3.2137 PRESSURE: 4318600 -46.6542 -166.944 79.2625 -166.943 -100.458 5.88375 79.2629 5.88426 71.3713 GPRESSURE: 4318600 15.8625 -283.094 168.203 -45.3523 -101.677 41.6988 88.4368 40.4815 78.2928 PRESSAVG: 4318600 -14.2425 17.4254 -32.3326 17.4254 15.6352 33.4002 -32.3326 33.4002 8.2192 GPRESSAVG: 4318600 -13.8097 17.7521 -30.8311 15.5116 15.5897 35.5248 -33.6733 32.1867 8.47932 TIMING: 4318600 CPU: 13656.5, 0.00316437/step Wall: 13656.5, 0.00316437/step, 0.598946 hours remaining, 236.500000 MB of memory in use. ENERGY: 4318600 4040.5780 20436.5480 14538.5786 251.6090 -202980.9429 2390.1855 0.0000 0.0000 51913.3140 -109410.1298 298.3465 -161323.4438 -109048.7470 298.7917 -25.2470 -2.5073 761252.5408 3.2040 3.4198 PRESSURE: 4318800 -80.9403 -8.14811 97.854 -8.14869 -58.2063 -75.9258 97.8538 -75.925 26.1627 GPRESSURE: 4318800 -110.729 -91.4016 112.701 -18.1668 7.96943 -51.5001 185.255 -135.353 59.9826 PRESSAVG: 4318800 68.9524 12.8355 49.6651 12.8355 -34.3314 43.1744 49.6651 43.1744 0.0771624 GPRESSAVG: 4318800 67.7416 12.1849 47.755 13.8173 -33.8265 42.6993 50.3553 43.0184 0.138805 TIMING: 4318800 CPU: 13657.1, 0.00316882/step Wall: 13657.1, 0.00316882/step, 0.59961 hours remaining, 236.500000 MB of memory in use. ENERGY: 4318800 3987.0146 20513.6080 14433.7347 248.6364 -203627.7147 2868.0789 0.0000 0.0000 51954.5570 -109622.0850 298.5836 -161576.6420 -109267.3500 299.2397 -37.6613 -14.2591 760756.1777 11.5661 11.3513 PRESSURE: 4319000 88.4394 217.308 -113.122 217.309 -85.3376 58.7436 -113.122 58.7443 115.609 GPRESSURE: 4319000 90.333 284.179 -59.7029 210.328 49.531 96.0576 -16.0553 100.962 89.0808 PRESSAVG: 4319000 -2.21021 -5.29042 -10.5264 -5.29042 -32.2868 12.4309 -10.5264 12.431 19.6339 GPRESSAVG: 4319000 -1.44881 -6.21175 -9.17712 -6.62246 -31.4008 11.2482 -9.88276 13.7983 18.4134 TIMING: 4319000 CPU: 13657.7, 0.00316953/step Wall: 13657.7, 0.00316953/step, 0.599569 hours remaining, 236.500000 MB of memory in use. ENERGY: 4319000 4023.4482 20319.4883 14512.3974 252.1905 -203153.0495 2693.5907 0.0000 0.0000 51889.9010 -109462.0333 298.2120 -161351.9344 -109104.7430 298.6393 39.5703 76.3149 762606.3674 -4.9544 -4.8121 PRESSURE: 4319200 -216.559 65.872 38.9798 65.8729 -26.366 176.389 38.9805 176.39 -160.391 GPRESSURE: 4319200 -157.575 -3.89393 -121.142 -1.99457 24.513 196.606 51.049 142.357 -184.667 PRESSAVG: 4319200 -35.1249 19.3806 -6.77695 19.3806 48.0046 16.3561 -6.7769 16.3561 -35.311 GPRESSAVG: 4319200 -36.6512 20.9309 -8.79445 19.3796 47.1218 16.0288 -8.28644 15.5385 -33.8291 TIMING: 4319200 CPU: 13658.4, 0.00316966/step Wall: 13658.4, 0.00316966/step, 0.599419 hours remaining, 236.500000 MB of memory in use. ENERGY: 4319200 4050.8536 20671.2030 14425.1469 240.3323 -203473.6928 2530.1110 0.0000 0.0000 52207.1500 -109348.8959 300.0352 -161556.0459 -108983.6377 299.1121 -134.4386 -105.9097 762249.3461 -7.4771 -7.7862 PRESSURE: 4319400 18.2958 -83.5311 -128.824 -83.5303 145.952 55.4727 -128.825 55.4725 10.5849 GPRESSURE: 4319400 121.246 -256.12 -139.4 -12.4085 87.0166 -65.7807 -64.2791 122.787 80.0565 PRESSAVG: 4319400 -56.6793 21.3054 36.5938 21.3054 47.3327 -54.099 36.5938 -54.099 16.6867 GPRESSAVG: 4319400 -56.4064 20.0997 38.7771 21.5714 47.0446 -53.2698 37.0993 -53.1217 16.6984 TIMING: 4319400 CPU: 13659, 0.00314881/step Wall: 13659, 0.00314881/step, 0.5953 hours remaining, 236.500000 MB of memory in use. ENERGY: 4319400 3846.3086 20490.1769 14455.9519 239.7338 -203337.7009 2605.1342 0.0000 0.0000 52156.2519 -109544.1436 299.7427 -161700.3955 -109164.6545 299.3503 58.2777 96.1062 759750.5320 2.4467 2.4455 PRESSURE: 4319600 -56.0741 181.756 -111.072 181.756 34.6781 -58.7168 -111.072 -58.7171 54.8278 GPRESSURE: 4319600 -32.581 9.11685 6.69833 136.553 86.0598 19.3024 -4.63538 -24.1267 55.7907 PRESSAVG: 4319600 -7.93534 -53.2719 12.6797 -53.2719 -0.750493 -38.699 12.6797 -38.6989 -17.6317 GPRESSAVG: 4319600 -8.64455 -52.8154 11.5729 -54.5311 0.54604 -37.1828 13.5133 -40.1618 -18.3599 TIMING: 4319600 CPU: 13659.6, 0.0031564/step Wall: 13659.6, 0.0031564/step, 0.59656 hours remaining, 236.500000 MB of memory in use. ENERGY: 4319600 3972.1081 20473.0677 14403.8561 232.5477 -203002.3751 2484.4615 0.0000 0.0000 51806.7714 -109629.5626 297.7342 -161436.3340 -109265.7548 299.0146 11.1440 36.4232 760540.6864 -8.7725 -8.8195 PRESSURE: 4319800 -0.212059 261.549 -113.264 261.548 -133.525 148.445 -113.264 148.445 -495.323 GPRESSURE: 4319800 25.6618 347.11 -57.6491 139.135 -86.1462 142.624 -113.18 205.662 -491.562 PRESSAVG: 4319800 -14.9867 -18.9048 1.5457 -18.9048 11.9546 -9.87643 1.54571 -9.87641 24.7388 GPRESSAVG: 4319800 -13.9026 -19.1325 1.49812 -16.3576 11.3474 -12.0735 0.461312 -8.33021 24.5353 TIMING: 4319800 CPU: 13660.3, 0.00316538/step Wall: 13660.3, 0.00316538/step, 0.598082 hours remaining, 236.500000 MB of memory in use. ENERGY: 4319800 3928.1387 20541.6054 14464.5454 238.9133 -203185.5650 2549.2061 0.0000 0.0000 52152.4069 -109310.7491 299.7206 -161463.1561 -108949.0253 299.1478 -209.6866 -184.0156 761935.8883 7.2356 7.3267 PRESSURE: 4320000 138.466 97.2116 -89.2341 97.2119 -44.6967 -176.456 -89.2332 -176.456 -206.825 GPRESSURE: 4320000 162.437 72.1107 -25.2477 30.9371 -29.7042 -149.197 -144.156 -62.5231 -157.834 PRESSAVG: 4320000 7.4025 -2.20858 -13.0104 -2.20851 -28.4824 58.8052 -13.0104 58.8051 -0.152792 GPRESSAVG: 4320000 6.44223 -2.56276 -11.4718 -3.66124 -28.978 61.2172 -13.2248 55.9637 1.35715 TIMING: 4320000 CPU: 13660.9, 0.00317518/step Wall: 13660.9, 0.00317518/step, 0.599756 hours remaining, 236.500000 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: 4320000 3979.2797 20349.2249 14489.1955 262.6709 -203573.3901 2975.3996 0.0000 0.0000 52313.5995 -109204.0200 300.6470 -161517.6195 -108846.2096 299.9015 -37.6853 -8.3670 762195.0545 -7.0776 -7.0595 PRESSURE: 4320200 -100.378 12.1381 -227.218 12.138 59.3077 27.5297 -227.218 27.5308 392.18 GPRESSURE: 4320200 -13.879 13.5582 -224.947 94.4483 68.4686 83.4424 -200.016 18.1663 392.869 PRESSAVG: 4320200 -7.90892 36.5589 -26.1037 36.5589 15.3952 -34.4594 -26.1037 -34.4594 -11.5003 GPRESSAVG: 4320200 -7.06047 36.2796 -26.0386 37.4212 15.1545 -36.3997 -28.3447 -33.0385 -12.4566 TIMING: 4320200 CPU: 13661.5, 0.00319/step Wall: 13661.5, 0.00319/step, 0.602378 hours remaining, 236.500000 MB of memory in use. ENERGY: 4320200 3987.2132 20424.8206 14437.9344 256.5702 -202977.5564 2642.7608 0.0000 0.0000 52018.3513 -109209.9060 298.9502 -161228.2574 -108852.7379 299.8344 117.0367 149.1528 761577.2351 -1.3380 -1.4542 LDB: ============= START OF LOAD BALANCING ============== 13674.1 LDB: ============== END OF LOAD BALANCING =============== 13674.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13674.1 LDB: ============= START OF LOAD BALANCING ============== 13674.4 LDB: Largest compute 7067 load 0.038745 is 19.8% of average load 0.195591 LDB: Average compute 0.004423 is 2.3% of average load 0.195591 LDB: TIME 13674.4 LOAD: AVG 0.195591 MAX 0.217151 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.926 MB LDB: TIME 13674.4 LOAD: AVG 0.195591 MAX 0.217151 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.086 MB LDB: TIME 13674.4 LOAD: AVG 0.195591 MAX 0.217151 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.086 MB LDB: ============== END OF LOAD BALANCING =============== 13674.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13674.4 PRESSURE: 4320400 -364.336 -192.127 60.1468 -192.127 31.6701 134.894 60.1464 134.893 -89.6823 GPRESSURE: 4320400 -238.097 -56.1311 106.54 -235.81 -24.22 158.242 138.213 -23.9197 -97.9572 PRESSAVG: 4320400 37.6 29.2813 -38.4041 29.2813 -12.4071 -5.93889 -38.4041 -5.93887 4.20774 GPRESSAVG: 4320400 37.0644 29.7496 -38.7706 29.0055 -12.5429 -6.84496 -33.391 -5.93016 4.4883 TIMING: 4320400 CPU: 13662.2, 0.00324229/step Wall: 13662.2, 0.00324229/step, 0.612072 hours remaining, 235.156250 MB of memory in use. ENERGY: 4320400 3979.4527 20514.3717 14497.7525 254.8209 -203416.6253 2759.2393 0.0000 0.0000 52085.2662 -109325.7220 299.3347 -161410.9882 -108956.0083 300.0443 -140.7828 -120.0913 763008.0209 9.8002 9.6699 PRESSURE: 4320600 60.3552 -44.3934 259.613 -44.3929 318.124 -102.85 259.614 -102.849 242.285 GPRESSURE: 4320600 110.868 -52.4307 161.176 -80.1472 363.757 36.762 170.012 -194.484 227.696 PRESSAVG: 4320600 6.1677 -40.5673 8.79906 -40.5675 -27.5879 39.8372 8.79912 39.8372 -8.98728 GPRESSAVG: 4320600 7.04014 -41.149 9.07097 -40.8208 -27.0558 42.1285 6.89192 37.3009 -10.0783 TIMING: 4320600 CPU: 13662.8, 0.00317728/step Wall: 13662.8, 0.00317728/step, 0.599623 hours remaining, 235.359375 MB of memory in use. ENERGY: 4320600 4029.3602 20465.6464 14401.5330 235.3185 -203615.6855 2905.1310 0.0000 0.0000 52145.8784 -109432.8181 299.6831 -161578.6964 -109075.0654 299.3606 206.9214 234.1071 760372.4470 -10.1358 -10.0313 PRESSURE: 4320800 -103.988 -207.878 -173.402 -207.878 -312.389 -17.7813 -173.402 -17.78 -161.515 GPRESSURE: 4320800 -192.684 -139.456 -170.441 -137.3 -156.827 -31.838 -108.137 -79.0519 -150.632 PRESSAVG: 4320800 69.5336 21.1591 -28.5123 21.1591 -32.8938 -23.1077 -28.5123 -23.1077 7.81484 GPRESSAVG: 4320800 68.4867 22.1547 -29.7382 23.0115 -32.3867 -23.766 -30.2261 -23.3444 8.35344 TIMING: 4320800 CPU: 13663.4, 0.00319781/step Wall: 13663.4, 0.00319781/step, 0.603321 hours remaining, 235.359375 MB of memory in use. ENERGY: 4320800 3955.3324 20459.0524 14462.3565 239.7285 -203353.8813 2394.7911 0.0000 0.0000 52030.5759 -109812.0445 299.0204 -161842.6204 -109447.1395 299.0240 -192.6305 -166.7144 762795.8967 14.8182 14.8178 PRESSURE: 4321000 42.9745 104.314 77.3145 104.314 251.648 -134.58 77.3145 -134.58 -282.349 GPRESSURE: 4321000 69.8679 102.573 70.9685 87.1365 230.808 -55.3448 47.8019 -173.897 -192.194 PRESSAVG: 4321000 -10.6701 -11.4599 -16.8158 -11.4599 -27.6922 1.54019 -16.8158 1.54018 13.3555 GPRESSAVG: 4321000 -9.73853 -11.9176 -15.8933 -13.8455 -28.0629 1.71414 -14.6853 3.88527 13.0078 TIMING: 4321000 CPU: 13664.1, 0.00319983/step Wall: 13664.1, 0.00319983/step, 0.603524 hours remaining, 235.359375 MB of memory in use. ENERGY: 4321000 3959.0315 20447.4567 14552.8218 246.7827 -203679.7408 2853.0639 0.0000 0.0000 51698.0835 -109922.5007 297.1096 -161620.5842 -109572.7490 298.3024 4.0913 36.1608 762237.8564 -8.3356 -8.2645 PRESSURE: 4321200 -123.683 -193.472 86.953 -193.472 -101.771 -101.044 86.9528 -101.042 -163.962 GPRESSURE: 4321200 -50.8054 -140.796 96.8618 -256.367 -58.2601 -51.9791 -75.8757 -3.39156 -173.197 PRESSAVG: 4321200 14.1901 -26.5805 -24.7379 -26.5804 -9.72885 14.4371 -24.7379 14.4371 -28.7096 GPRESSAVG: 4321200 13.9333 -25.6415 -26.5533 -24.9387 -9.49865 12.1021 -27.2227 16.9287 -28.6048 TIMING: 4321200 CPU: 13664.7, 0.00317719/step Wall: 13664.7, 0.00317719/step, 0.599077 hours remaining, 235.359375 MB of memory in use. ENERGY: 4321200 4003.8050 20308.9507 14548.3216 254.1145 -203292.1477 2562.9823 0.0000 0.0000 52058.8675 -109555.1061 299.1830 -161613.9736 -109191.4029 298.8784 -129.8053 -94.0875 762975.2056 -8.0828 -8.0567 PRESSURE: 4321400 -315.334 173.239 -125.473 173.239 -58.1434 -74.2307 -125.473 -74.2306 -147.519 GPRESSURE: 4321400 -271.522 40.4137 -124.19 202.495 -19.9462 12.568 -84.396 -81.813 -147.709 PRESSAVG: 4321400 -45.9068 -78.2103 29.2399 -78.2103 29.9581 0.969877 29.2398 0.969878 -4.76285 GPRESSAVG: 4321400 -46.3125 -77.8082 29.8759 -79.126 30.6987 2.75216 30.8728 -0.205373 -5.03543 TIMING: 4321400 CPU: 13665.4, 0.0031716/step Wall: 13665.4, 0.0031716/step, 0.597847 hours remaining, 235.359375 MB of memory in use. ENERGY: 4321400 4047.7273 20488.2921 14474.0757 259.1360 -203907.8754 2860.9627 0.0000 0.0000 52251.8728 -109525.8089 300.2922 -161777.6817 -109170.9106 299.3241 -173.6654 -146.3921 760979.7284 -6.9039 -6.8831 PRESSURE: 4321600 -24.5482 124.543 -64.8325 124.543 -24.0608 2.68645 -64.8329 2.68646 -171.702 GPRESSURE: 4321600 -7.09862 106.145 -140.286 83.2491 -10.3764 20.3967 41.349 26.3993 -124.821 PRESSAVG: 4321600 -43.2805 -31.3677 39.5199 -31.3676 44.084 5.2276 39.52 5.22757 -5.06192 GPRESSAVG: 4321600 -43.0714 -32.8988 39.5399 -30.6265 42.9375 4.35514 39.374 5.03434 -4.46274 TIMING: 4321600 CPU: 13666, 0.00316682/step Wall: 13666, 0.00316682/step, 0.59677 hours remaining, 235.359375 MB of memory in use. ENERGY: 4321600 3896.6236 20427.6751 14533.7320 252.6508 -202987.3461 2234.8166 0.0000 0.0000 52127.8689 -109513.9791 299.5796 -161641.8480 -109153.0414 298.9238 -73.4369 -47.4322 761429.5316 -1.4195 -1.5322 PRESSURE: 4321800 -129.683 -106.113 -178.168 -106.112 -129.92 63.9694 -178.168 63.9693 43.0925 GPRESSURE: 4321800 -120.424 -41.6413 -210.198 -159.934 -94.3605 24.0692 -112.254 -21.0638 79.814 PRESSAVG: 4321800 17.1239 -9.67479 68.1896 -9.67478 14.3571 7.19781 68.1896 7.19778 11.9827 GPRESSAVG: 4321800 18.1301 -9.05071 67.8824 -10.2588 14.5586 7.94893 67.9163 6.8607 11.265 TIMING: 4321800 CPU: 13666.6, 0.00317956/step Wall: 13666.6, 0.00317956/step, 0.598993 hours remaining, 235.359375 MB of memory in use. ENERGY: 4321800 3994.6188 20349.2487 14506.7956 255.0796 -203292.9844 2580.0418 0.0000 0.0000 51977.1162 -109630.0838 298.7132 -161607.2000 -109272.5686 298.9958 -72.1701 -44.9902 760452.3641 14.4879 14.6513 PRESSURE: 4322000 -342.057 183.976 137.39 183.976 -166.776 -344.841 137.39 -344.841 -110.033 GPRESSURE: 4322000 -361.927 136.415 70.0826 181.649 -115.883 -251.016 31.3553 -286.775 -50.557 PRESSAVG: 4322000 -34.4749 -38.6543 17.4444 -38.6544 24.4202 8.28688 17.4444 8.28689 7.53355 GPRESSAVG: 4322000 -34.9643 -37.8549 17.5363 -38.2973 24.0776 7.5781 18.2964 7.4098 7.96983 TIMING: 4322000 CPU: 13667.3, 0.00320884/step Wall: 13667.3, 0.00320884/step, 0.604332 hours remaining, 235.359375 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: 4322000 3886.6407 20706.9169 14516.0928 237.9058 -203096.5169 2231.1836 0.0000 0.0000 51970.3059 -109547.4711 298.6741 -161517.7770 -109199.3649 298.7161 -206.2887 -176.1222 762753.2059 -0.8404 -0.9723 PRESSURE: 4322200 106.105 130.579 105.803 130.579 52.7864 191.086 105.803 191.087 -45.0355 GPRESSURE: 4322200 54.6525 59.7932 150.41 192.503 165.048 191.119 47.9331 227.711 -14.614 PRESSAVG: 4322200 -8.34518 -6.68708 23.9681 -6.68711 39.4203 10.5349 23.9681 10.5349 23.0264 GPRESSAVG: 4322200 -8.39538 -8.36409 24.0038 -6.83797 40.2369 10.1229 23.2519 11.3324 22.6868 TIMING: 4322200 CPU: 13667.9, 0.00320885/step Wall: 13667.9, 0.00320885/step, 0.604156 hours remaining, 235.359375 MB of memory in use. ENERGY: 4322200 3970.9112 20321.8537 14485.6981 228.3025 -203381.3375 2609.4367 0.0000 0.0000 51987.2308 -109777.9045 298.7713 -161765.1353 -109414.8968 299.2178 37.9518 68.3623 760808.1633 18.0338 18.1761 PRESSURE: 4322400 121.655 34.8382 321.277 34.8382 -90.1039 146.011 321.276 146.012 -23.9141 GPRESSURE: 4322400 183.751 52.0871 321.56 33.0517 -28.4167 48.3945 397.205 36.8729 -41.0386 PRESSAVG: 4322400 -28.2758 1.76002 0.336395 1.75997 23.6518 19.265 0.336394 19.2651 1.48292 GPRESSAVG: 4322400 -27.7401 3.09961 0.446396 1.81382 23.6987 20.0752 -0.148197 19.2603 0.832647 TIMING: 4322400 CPU: 13668.6, 0.00321194/step Wall: 13668.6, 0.00321194/step, 0.604558 hours remaining, 235.359375 MB of memory in use. ENERGY: 4322400 4006.0349 20499.6863 14428.1441 257.6552 -203662.2997 2700.3038 0.0000 0.0000 52076.0927 -109694.3827 299.2820 -161770.4754 -109328.0694 298.4354 2.5456 38.0987 761237.9376 -1.0470 -1.0696 PRESSURE: 4322600 193.431 -46.7158 47.2186 -46.7156 258.426 -95.9305 47.2185 -95.929 151.701 GPRESSURE: 4322600 248.775 0.616916 103.696 -106.816 296.3 -23.5347 -44.6281 -69.6127 135.131 PRESSAVG: 4322600 -40.4652 3.41002 51.9958 3.41003 15.016 -10.899 51.9957 -10.899 -8.99614 GPRESSAVG: 4322600 -40.011 1.89008 53.0529 4.07784 14.2566 -10.8883 53.1457 -11.0378 -8.89393 TIMING: 4322600 CPU: 13669.2, 0.00319861/step Wall: 13669.2, 0.00319861/step, 0.601871 hours remaining, 235.359375 MB of memory in use. ENERGY: 4322600 3968.2142 20536.6413 14475.3223 238.1934 -203543.8458 2826.5253 0.0000 0.0000 51783.7656 -109715.1837 297.6020 -161498.9493 -109353.7374 298.4064 201.1860 226.7355 762535.0636 -11.4818 -11.5494 PRESSURE: 4322800 218.491 -171.46 157.709 -171.461 637.405 -33.2258 157.709 -33.2266 345.919 GPRESSURE: 4322800 273.65 -225.02 142.854 -149.486 725.692 75.6241 62.7407 -22.0394 298.62 PRESSAVG: 4322800 -8.97825 -1.19966 44.6186 -1.19967 22.2239 -33.4553 44.6186 -33.4551 -10.6779 GPRESSAVG: 4322800 -8.13206 0.106046 44.6645 -2.32514 22.5273 -34.0974 44.4298 -33.2158 -11.7085 TIMING: 4322800 CPU: 13669.8, 0.00318031/step Wall: 13669.8, 0.00318031/step, 0.598252 hours remaining, 235.359375 MB of memory in use. ENERGY: 4322800 4024.8707 20378.4699 14496.4823 276.9135 -203410.1038 2681.1201 0.0000 0.0000 52238.8209 -109313.4263 300.2172 -161552.2473 -108954.3274 298.5019 400.6051 432.6541 761979.2951 0.8559 0.8956 PRESSURE: 4323000 28.2471 -13.0102 69.8492 -13.0106 78.741 77.5565 69.8493 77.5561 265.19 GPRESSURE: 4323000 12.3475 -41.2541 60.2163 -18.9375 197.101 38.0794 -117.294 -18.0597 239.364 PRESSAVG: 4323000 -15.6308 4.05437 23.1049 4.05439 20.9876 5.72752 23.105 5.72755 -4.2396 GPRESSAVG: 4323000 -19.1417 2.46516 22.349 5.85368 21.681 6.45218 26.0569 4.56869 -1.75641 TIMING: 4323000 CPU: 13670.5, 0.00319049/step Wall: 13670.5, 0.00319049/step, 0.599988 hours remaining, 235.359375 MB of memory in use. ENERGY: 4323000 3986.8230 20625.8146 14519.4894 265.4246 -203602.1966 2709.2128 0.0000 0.0000 52016.9548 -109478.4775 298.9422 -161495.4323 -109105.0403 299.2516 124.0595 149.6044 762312.6024 0.3724 0.2610 PRESSURE: 4323200 38.7039 35.3691 58.173 35.368 -170.877 98.8953 58.173 98.8939 -481.307 GPRESSURE: 4323200 24.1778 -34.175 48.6523 -43.4275 -94.1922 31.1102 66.7637 220.112 -439.384 PRESSAVG: 4323200 12.0396 -3.75256 -31.6077 -3.75259 20.5756 -4.6095 -31.6077 -4.60946 -12.2096 GPRESSAVG: 4323200 13.8201 -2.87354 -32.6903 -6.21782 19.7146 -6.86661 -33.2306 -2.75914 -12.9692 TIMING: 4323200 CPU: 13671.1, 0.00318596/step Wall: 13671.1, 0.00318596/step, 0.598961 hours remaining, 235.359375 MB of memory in use. ENERGY: 4323200 4027.8971 20632.3124 14504.1653 233.5694 -203392.4348 2654.9787 0.0000 0.0000 51874.6608 -109464.8511 298.1244 -161339.5119 -109104.4888 299.0168 -204.4933 -169.7994 762490.9665 6.8018 6.8552 PRESSURE: 4323400 -55.473 -100.694 52.7323 -100.694 106.509 -49.9219 52.7322 -49.9212 -350.088 GPRESSURE: 4323400 -5.74488 -101.844 27.8107 -95.6713 85.4759 -35.0127 83.6609 -12.813 -283.369 PRESSAVG: 4323400 -22.8725 -12.1197 36.8648 -12.1197 -20.406 13.4103 36.8648 13.4102 -36.2644 GPRESSAVG: 4323400 -23.1948 -12.1182 38.2614 -10.3639 -19.5162 15.6224 35.9682 14.5445 -36.412 TIMING: 4323400 CPU: 13671.7, 0.00319906/step Wall: 13671.7, 0.00319906/step, 0.601245 hours remaining, 235.359375 MB of memory in use. ENERGY: 4323400 4032.0165 20588.8595 14558.0609 270.2056 -203581.5965 2528.5842 0.0000 0.0000 52125.7819 -109478.0877 299.5676 -161603.8697 -109113.4050 299.5889 -99.6838 -67.8793 762207.0988 -26.5143 -26.3743 PRESSURE: 4323600 71.735 143.279 -0.726726 143.278 69.9372 91.2931 -0.725743 91.2926 299.188 GPRESSURE: 4323600 105.418 175.279 -20.4941 144.881 151.64 176.135 154.169 5.88004 261.774 PRESSAVG: 4323600 -34.6009 -28.5323 35.9076 -28.5323 35.2091 -26.7881 35.9076 -26.788 -0.380536 GPRESSAVG: 4323600 -33.7073 -27.9469 36.2449 -28.5919 33.0516 -26.3968 40.4912 -28.9394 0.255363 TIMING: 4323600 CPU: 13672.4, 0.00317989/step Wall: 13672.4, 0.00317989/step, 0.597465 hours remaining, 235.359375 MB of memory in use. ENERGY: 4323600 4000.8025 20610.9059 14487.0030 256.4702 -203607.4690 2676.9893 0.0000 0.0000 52075.4551 -109499.8430 299.2784 -161575.2981 -109135.4406 299.3359 146.9534 172.9438 763453.3870 0.0759 -0.1335 PRESSURE: 4323800 -72.072 221.198 40.7814 221.198 6.58302 -126.007 40.7824 -126.007 -41.9546 GPRESSURE: 4323800 -91.0241 224.043 25.9576 233.286 48.003 -134.516 -25.5056 -131.566 27.0795 PRESSAVG: 4323800 -49.6998 22.8767 -43.3173 22.8766 56.3554 54.7116 -43.3173 54.7116 11.9871 GPRESSAVG: 4323800 -50.6248 23.6563 -42.0532 23.6187 58.1867 54.2928 -47.2403 54.2361 10.7403 TIMING: 4323800 CPU: 13673, 0.00317748/step Wall: 13673, 0.00317748/step, 0.596836 hours remaining, 235.359375 MB of memory in use. ENERGY: 4323800 3982.8602 20497.1213 14544.7677 237.5622 -203430.8193 2604.1977 0.0000 0.0000 51904.1856 -109660.1247 298.2941 -161564.3103 -109296.3582 298.7364 -35.8145 -5.3139 762246.4654 6.2142 6.1007 PRESSURE: 4324000 61.4568 -197.837 227.707 -197.837 -42.3449 214.507 227.707 214.507 204.014 GPRESSURE: 4324000 74.6224 -243.517 268.258 -259.859 14.0344 179.037 95.3582 291.848 246.316 PRESSAVG: 4324000 -73.5453 0.301598 -0.936955 0.301664 63.388 11.5431 -0.936939 11.5431 -19.3634 GPRESSAVG: 4324000 -72.5335 0.759242 -2.68791 -0.334181 61.2788 10.8558 -1.3568 13.1456 -18.5301 TIMING: 4324000 CPU: 13673.6, 0.00317117/step Wall: 13673.6, 0.00317117/step, 0.595476 hours remaining, 235.359375 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: 4324000 3993.4987 20509.6218 14602.7632 242.2613 -203823.3041 2914.6118 0.0000 0.0000 51946.9827 -109613.5648 298.5400 -161560.5474 -109254.8540 298.5430 74.3753 111.6576 762861.3187 -9.8402 -9.9283 PRESSURE: 4324200 -64.8502 63.4 -242.927 63.3996 -82.6576 96.9692 -242.928 96.9694 -174.725 GPRESSURE: 4324200 -6.14998 21.8451 -167.234 -1.18937 -113.089 169.949 -182.541 44.1597 -133.024 PRESSAVG: 4324200 -29.5622 -33.0098 -0.0157269 -33.0098 -19.3595 -56.4892 -0.0157363 -56.4892 -7.57689 GPRESSAVG: 4324200 -29.9082 -35.8672 1.72009 -32.3136 -18.4377 -55.8536 -0.13247 -57.3607 -8.45633 TIMING: 4324200 CPU: 13674.3, 0.00314713/step Wall: 13674.3, 0.00314713/step, 0.590786 hours remaining, 235.359375 MB of memory in use. ENERGY: 4324200 4096.3828 20389.0184 14537.6975 258.4848 -204039.7417 3192.6321 0.0000 0.0000 52004.4190 -109561.1071 298.8701 -161565.5261 -109198.2719 298.7194 -107.4108 -84.0876 762934.8359 -18.8329 -18.9341 LDB: ============= START OF LOAD BALANCING ============== 13686.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13686.8 LDB: =============== DONE WITH MIGRATION ================ 13686.8 LDB: ============= START OF LOAD BALANCING ============== 13687.1 LDB: Largest compute 7075 load 0.036991 is 18.9% of average load 0.195656 LDB: Average compute 0.004385 is 2.2% of average load 0.195656 LDB: TIME 13687.1 LOAD: AVG 0.195656 MAX 0.21485 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 13687.1 LOAD: AVG 0.195656 MAX 0.21485 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 13687.1 LOAD: AVG 0.195656 MAX 0.21485 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 13687.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13687.1 PRESSURE: 4324400 -51.7444 14.7705 39.2392 14.7709 226.663 -134.546 39.2387 -134.547 -71.3793 GPRESSURE: 4324400 -68.1153 20.8014 11.1478 -12.0223 231.796 -76.4337 -78.3968 -90.9158 24.9492 PRESSAVG: 4324400 -12.3167 -5.62517 -26.8878 -5.62511 -3.78148 54.1125 -26.8879 54.1126 5.46314 GPRESSAVG: 4324400 -11.9711 -5.87828 -27.4146 -5.5894 -4.02806 55.2503 -28.4057 52.9693 5.34529 TIMING: 4324400 CPU: 13674.9, 0.00321492/step Wall: 13674.9, 0.00321492/step, 0.603334 hours remaining, 235.472656 MB of memory in use. ENERGY: 4324400 3938.8042 20456.3202 14618.4726 246.5574 -203125.7163 2430.4172 0.0000 0.0000 51808.8062 -109626.3385 297.7459 -161435.1447 -109260.9670 299.3055 34.5130 62.8765 763650.5356 -3.5450 -3.5513 PRESSURE: 4324600 -170.884 45.5974 348.421 45.5964 -390.666 -111.023 348.421 -111.023 -104.632 GPRESSURE: 4324600 -87.0208 17.1362 343.192 233.233 -338.433 -208.394 278.332 -131.606 -142.121 PRESSAVG: 4324600 -33.4683 -49.2219 22.0254 -49.2218 35.7152 25.7169 22.0254 25.7169 -5.05268 GPRESSAVG: 4324600 -32.9381 -47.6649 20.7537 -51.6145 34.8166 23.581 25.028 26.7188 -4.47019 TIMING: 4324600 CPU: 13675.6, 0.003165/step Wall: 13675.6, 0.003165/step, 0.593789 hours remaining, 235.582031 MB of memory in use. ENERGY: 4324600 4045.9254 20430.7782 14531.9562 239.9480 -203420.9388 2663.7510 0.0000 0.0000 52031.3632 -109477.2169 299.0250 -161508.5801 -109112.8055 298.8494 -222.0603 -189.1916 763594.8929 -0.9352 -0.8639 PRESSURE: 4324800 -217.744 73.1446 -165.126 73.1447 -204.522 0.392768 -165.126 0.392467 -272.616 GPRESSURE: 4324800 -324.74 132.334 -139.318 165.821 -119.076 9.03412 -165.039 30.2557 -171.774 PRESSAVG: 4324800 -0.509534 -4.82215 18.6754 -4.82216 9.77984 -14.0323 18.6755 -14.0322 -9.1142 GPRESSAVG: 4324800 -1.7796 -3.83756 19.7155 -3.0947 10.9033 -13.0991 15.7066 -15.7545 -8.41691 TIMING: 4324800 CPU: 13676.2, 0.00317224/step Wall: 13676.2, 0.00317224/step, 0.59497 hours remaining, 235.839844 MB of memory in use. ENERGY: 4324800 3994.2661 20497.4336 14524.5663 250.3930 -203268.3004 2593.3045 0.0000 0.0000 52057.0723 -109351.2646 299.1727 -161408.3369 -108993.2771 298.9954 -231.6273 -205.1963 763629.2020 0.0520 0.2356 PRESSURE: 4325000 9.11983 69.2286 344.531 69.2285 -87.1251 -193.671 344.531 -193.672 8.98951 GPRESSURE: 4325000 111.489 131.319 314.305 -142.389 -62.8369 -178.051 341.295 -244.358 -30.3742 PRESSAVG: 4325000 43.2108 24.3866 46.0127 24.3866 -66.6035 -72.5655 46.0127 -72.5655 9.90696 GPRESSAVG: 4325000 42.8818 23.078 45.1454 25.5186 -65.4774 -74.1951 48.7335 -69.8655 8.86916 TIMING: 4325000 CPU: 13676.8, 0.00313489/step Wall: 13676.8, 0.00313489/step, 0.587791 hours remaining, 235.839844 MB of memory in use. ENERGY: 4325000 3972.9666 20541.9915 14513.5452 224.9357 -203433.7698 2671.4314 0.0000 0.0000 51980.0916 -109528.8077 298.7303 -161508.8993 -109172.6723 299.3893 -23.0053 6.0927 763270.5836 -4.4952 -4.5755 PRESSURE: 4325200 44.0287 88.6867 -154.472 88.6865 99.2534 -67.6108 -154.473 -67.6119 -339.939 GPRESSURE: 4325200 85.188 32.894 -98.5567 143.835 134.656 -18.0966 -172.18 -5.02967 -322.533 PRESSAVG: 4325200 21.6243 32.7127 22.8469 32.7127 -23.9543 -15.3277 22.8469 -15.3277 1.11817 GPRESSAVG: 4325200 20.966 32.5378 22.4917 30.8658 -24.6528 -14.3245 22.126 -16.0186 2.79974 TIMING: 4325200 CPU: 13677.4, 0.00316508/step Wall: 13677.4, 0.00316508/step, 0.593276 hours remaining, 235.851562 MB of memory in use. ENERGY: 4325200 3999.6857 20622.7542 14511.2433 239.9602 -203508.0265 2793.8244 0.0000 0.0000 51758.3200 -109582.2387 297.4558 -161340.5586 -109223.1988 298.7854 -65.5522 -34.2294 761625.3769 -0.4040 -0.2957 PRESSURE: 4325400 -52.5995 -44.0841 -13.0206 -44.0836 -136.651 28.2884 -13.0211 28.2881 262.124 GPRESSURE: 4325400 -70.7784 -41.8669 10.4597 -78.0032 -49.5114 -16.5103 -5.38559 77.4946 258.785 PRESSAVG: 4325400 -5.17155 -37.7325 28.3502 -37.7324 2.35023 -7.22785 28.3502 -7.22792 -3.34953 GPRESSAVG: 4325400 -4.13893 -34.6868 30.869 -37.9262 2.23746 -7.82334 27.9513 -9.86566 -3.95463 TIMING: 4325400 CPU: 13678.1, 0.00313473/step Wall: 13678.1, 0.00313473/step, 0.587413 hours remaining, 235.851562 MB of memory in use. ENERGY: 4325400 3981.1759 20743.7528 14477.1336 236.2754 -203580.3261 2769.2079 0.0000 0.0000 51962.0516 -109410.7290 298.6266 -161372.7806 -109050.5357 299.6145 24.2909 46.1650 761420.8990 -2.0570 -1.9520 PRESSURE: 4325600 -311.434 -14.9761 159.061 -14.9769 1.5581 178.408 159.061 178.406 -360.938 GPRESSURE: 4325600 -268.387 174.886 163.168 -23.1615 32.5627 38.056 49.973 115.598 -336.056 PRESSAVG: 4325600 5.97393 12.4268 17.7563 12.4267 -6.92677 5.09378 17.7563 5.09375 -18.1588 GPRESSAVG: 4325600 5.60047 9.43873 17.2294 15.1965 -7.03125 4.99279 17.324 6.6817 -18.2616 TIMING: 4325600 CPU: 13678.7, 0.00318124/step Wall: 13678.7, 0.00318124/step, 0.595952 hours remaining, 235.851562 MB of memory in use. ENERGY: 4325600 4032.1034 20507.7526 14451.6284 249.5092 -203246.3830 2440.2993 0.0000 0.0000 52157.3787 -109407.7114 299.7492 -161565.0902 -109042.0720 299.5298 -223.6046 -190.6269 762163.7867 -6.3705 -6.5641 PRESSURE: 4325800 -73.6465 -109.936 -22.9889 -109.935 131.884 116.989 -22.9892 116.989 308.835 GPRESSURE: 4325800 -87.2913 -97.0819 -54.0952 -190.013 198.498 200.314 36.9273 9.95 336.19 PRESSAVG: 4325800 -46.8814 25.128 -24.47 25.1281 25.2735 43.6371 -24.47 43.6371 8.00317 GPRESSAVG: 4325800 -47.5848 25.4673 -27.3567 22.9278 25.7326 43.1656 -22.8785 43.9379 7.98914 TIMING: 4325800 CPU: 13679.3, 0.0031595/step Wall: 13679.3, 0.0031595/step, 0.591703 hours remaining, 235.851562 MB of memory in use. ENERGY: 4325800 3956.1441 20477.5342 14473.3961 248.4907 -203937.0727 3005.3334 0.0000 0.0000 52287.5855 -109488.5888 300.4975 -161776.1742 -109126.8806 299.4074 122.3577 149.1321 763181.0802 -4.5349 -4.6210 PRESSURE: 4326000 -209.654 -3.75379 20.6501 -3.75359 -376.614 -59.2868 20.6497 -59.2872 -390.49 GPRESSURE: 4326000 -150.365 -28.8901 -5.71364 -72.9335 -429.155 -64.3707 -83.2406 -35.9396 -287.689 PRESSAVG: 4326000 -92.6638 -13.7317 15.0033 -13.7318 60.8062 -57.6577 15.0033 -57.6576 -1.21404 GPRESSAVG: 4326000 -91.8477 -12.8382 15.2982 -12.6055 60.1691 -55.7544 14.81 -57.9106 -1.30054 TIMING: 4326000 CPU: 13680, 0.00314985/step Wall: 13680, 0.00314985/step, 0.589722 hours remaining, 235.851562 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: 4326000 4042.5119 20742.7902 14527.7058 256.4740 -203424.8783 2476.3985 0.0000 0.0000 51930.8921 -109448.1058 298.4476 -161378.9979 -109086.8772 299.3857 -325.5860 -289.0694 762425.2459 -11.0239 -10.9930 PRESSURE: 4326200 77.4079 40.5002 -58.379 40.4998 51.6705 -118.27 -58.3787 -118.271 -106.594 GPRESSURE: 4326200 115.941 71.0209 16.7357 -96.768 84.625 -143.433 -65.2226 -101.97 -80.5794 PRESSAVG: 4326200 15.0505 -9.2935 24.5394 -9.29358 8.03272 -50.111 24.5394 -50.111 11.7607 GPRESSAVG: 4326200 15.0916 -9.81235 26.4924 -10.5445 7.45437 -52.4775 21.017 -49.7147 11.2951 TIMING: 4326200 CPU: 13680.6, 0.00314603/step Wall: 13680.6, 0.00314603/step, 0.588832 hours remaining, 235.851562 MB of memory in use. ENERGY: 4326200 3955.5408 20591.1616 14411.6008 247.9074 -203728.7681 2729.7152 0.0000 0.0000 52004.6975 -109788.1449 298.8717 -161792.8424 -109425.9931 299.0496 7.4948 39.9956 761500.0623 11.6146 11.2804 PRESSURE: 4326400 246.914 66.4199 189.06 66.4194 -5.94913 -247.896 189.06 -247.897 -93.5402 GPRESSURE: 4326400 299.503 88.245 153.057 95.5908 -19.9387 -249.914 132.255 -247.368 -35.4084 PRESSAVG: 4326400 16.1055 -8.06563 -53.3975 -8.0656 -4.9755 -12.8145 -53.3975 -12.8145 9.67406 GPRESSAVG: 4326400 15.4248 -6.80025 -54.0367 -9.45958 -5.17576 -9.04023 -53.1141 -14.4706 10.6203 TIMING: 4326400 CPU: 13681.2, 0.00316445/step Wall: 13681.2, 0.00316445/step, 0.592104 hours remaining, 235.851562 MB of memory in use. ENERGY: 4326400 4000.4327 20575.3839 14467.9959 251.8792 -203506.5687 2668.2091 0.0000 0.0000 51856.8226 -109685.8454 298.0219 -161542.6680 -109339.3228 298.6361 49.1415 81.3854 760922.2390 6.9347 6.9564 PRESSURE: 4326600 -118.663 -185.475 37.6515 -185.475 -13.9059 -48.319 37.6508 -48.3186 -173.452 GPRESSURE: 4326600 -104.623 -202.688 77.9105 -168.567 -37.2295 13.805 52.6674 -34.4059 -94.4022 PRESSAVG: 4326600 1.10205 -93.5137 -32.5696 -93.5137 -24.0202 -25.1674 -32.5696 -25.1674 -1.37 GPRESSAVG: 4326600 1.19483 -93.059 -32.4615 -94.3747 -23.6479 -27.2182 -31.8317 -22.7186 -2.51155 TIMING: 4326600 CPU: 13681.9, 0.00314471/step Wall: 13681.9, 0.00314471/step, 0.588235 hours remaining, 235.851562 MB of memory in use. ENERGY: 4326600 4008.3900 20446.3480 14504.5726 260.7102 -203248.8888 2227.4038 0.0000 0.0000 52339.4616 -109462.0026 300.7956 -161801.4642 -109105.0967 299.4111 -102.0068 -78.7517 761001.8893 -8.0961 -8.3215 PRESSURE: 4326800 -103.087 -177.534 4.8229 -177.533 109.148 -103.131 4.82296 -103.131 -42.4418 GPRESSURE: 4326800 -98.231 -195.27 21.0384 -70.5042 130.224 -65.335 90.9142 -103.652 22.1955 PRESSAVG: 4326800 -32.3716 -52.5622 24.3112 -52.5622 9.12691 -58.122 24.3113 -58.122 9.71033 GPRESSAVG: 4326800 -32.9341 -54.9244 22.9982 -51.1744 9.86452 -59.3998 25.846 -58.8051 9.10988 TIMING: 4326800 CPU: 13682.5, 0.0031589/step Wall: 13682.5, 0.0031589/step, 0.590714 hours remaining, 235.851562 MB of memory in use. ENERGY: 4326800 4053.1810 20599.1914 14489.2518 244.9593 -203525.1378 2716.1318 0.0000 0.0000 51905.7113 -109516.7113 298.3028 -161422.4225 -109166.9073 299.6939 -12.1269 18.0627 758846.6434 -4.5115 -4.6532 PRESSURE: 4327000 -225.12 -27.3545 43.2396 -27.3547 -509.348 13.0469 43.2389 13.0467 600.392 GPRESSURE: 4327000 -183.108 45.5754 -43.8882 -20.2764 -413.47 -63.0191 140.436 -107.243 566.117 PRESSAVG: 4327000 2.49737 -20.1147 32.1388 -20.1147 24.6299 -3.59295 32.1388 -3.59296 -6.20089 GPRESSAVG: 4327000 2.50237 -18.4478 33.9145 -18.9193 25.0439 -1.30327 30.6448 -4.77259 -5.84123 TIMING: 4327000 CPU: 13683.1, 0.00315986/step Wall: 13683.1, 0.00315986/step, 0.590718 hours remaining, 235.851562 MB of memory in use. ENERGY: 4327000 4018.2454 20539.2993 14590.5308 244.5456 -203406.0691 2493.4100 0.0000 0.0000 51979.5075 -109540.5305 298.7269 -161520.0380 -109168.5491 299.6961 -44.6919 -10.1537 759358.5526 6.9755 7.2350 PRESSURE: 4327200 80.0151 127.303 206.571 127.303 -82.5907 -413.355 206.571 -413.355 -389.873 GPRESSURE: 4327200 43.1844 141.924 152.403 173.825 -3.63798 -349.781 266.994 -250.798 -360.494 PRESSAVG: 4327200 -9.27934 -3.08094 25.5567 -3.08089 -6.10271 -42.4975 25.5568 -42.4974 1.01873 GPRESSAVG: 4327200 -7.43815 -3.69805 25.3474 -2.62648 -7.0184 -44.0293 26.1042 -41.2305 0.460834 TIMING: 4327200 CPU: 13683.8, 0.0031589/step Wall: 13683.8, 0.0031589/step, 0.590364 hours remaining, 235.851562 MB of memory in use. ENERGY: 4327200 4010.9767 20467.0071 14508.7511 274.0097 -203596.4204 2599.8251 0.0000 0.0000 52045.3075 -109690.5432 299.1051 -161735.8508 -109318.4629 299.2570 -130.8163 -106.9824 760610.3006 -4.7878 -4.6652 PRESSURE: 4327400 62.268 -111.32 83.9474 -111.319 465.647 237.003 83.9473 237.004 -285.203 GPRESSURE: 4327400 71.5858 -86.2636 -19.9399 -4.06434 467.167 195.359 -2.56463 170.724 -221.293 PRESSAVG: 4327400 -45.216 -8.29305 19.0635 -8.29301 24.9941 -21.0864 19.0635 -21.0864 -0.816247 GPRESSAVG: 4327400 -46.0936 -6.96022 17.5651 -8.64308 24.9802 -20.7064 19.7215 -20.0366 -1.10332 TIMING: 4327400 CPU: 13684.4, 0.0031702/step Wall: 13684.4, 0.0031702/step, 0.592299 hours remaining, 235.851562 MB of memory in use. ENERGY: 4327400 3917.3245 20363.0124 14499.5106 259.2853 -203652.0274 2927.9402 0.0000 0.0000 52303.5056 -109381.4487 300.5890 -161684.9544 -109016.4015 299.6997 80.9039 105.8198 761380.6509 -7.0127 -7.4056 PRESSURE: 4327600 -167.604 -19.2941 -90.3818 -19.2946 -51.1251 -230.164 -90.3818 -230.164 -375.619 GPRESSURE: 4327600 -41.9669 -30.9864 -109.181 -63.4579 -64.174 -224.315 -128.612 -217.659 -393.517 PRESSAVG: 4327600 -13.7678 -30.3145 5.26163 -30.3145 24.5256 -7.18297 5.26164 -7.18291 12.8754 GPRESSAVG: 4327600 -14.1808 -29.813 8.43319 -31.5166 24.365 -7.67581 3.1543 -9.23881 13.794 TIMING: 4327600 CPU: 13685, 0.00314441/step Wall: 13685, 0.00314441/step, 0.587305 hours remaining, 235.851562 MB of memory in use. ENERGY: 4327600 4001.1766 20434.2721 14521.3472 226.3007 -203091.8818 2305.2747 0.0000 0.0000 52246.5077 -109357.0029 300.2614 -161603.5106 -108992.2019 300.0258 -198.1160 -166.5527 761729.0111 7.8777 7.9928 PRESSURE: 4327800 -93.3669 -5.55894 -251.661 -5.55916 -103.59 -11.9359 -251.661 -11.9362 396.209 GPRESSURE: 4327800 -44.7177 106.968 -183.279 -119.097 2.40335 -75.1312 -195.398 -98.4259 314.372 PRESSAVG: 4327800 -15.2485 -59.197 -6.60503 -59.1971 5.42427 15.9219 -6.60505 15.9218 -8.24491 GPRESSAVG: 4327800 -15.6443 -59.6014 -8.45013 -57.7278 5.81936 17.1554 -4.70198 16.6451 -8.26292 TIMING: 4327800 CPU: 13685.7, 0.00314732/step Wall: 13685.7, 0.00314732/step, 0.587675 hours remaining, 235.851562 MB of memory in use. ENERGY: 4327800 3961.0316 20506.8698 14523.2847 259.6782 -203571.3197 2920.9215 0.0000 0.0000 51959.6019 -109439.9321 298.6125 -161399.5341 -109062.7629 299.2163 66.4173 90.6858 761780.6438 -6.0231 -6.0293 PRESSURE: 4328000 354.667 151.196 -7.46645 151.195 313.391 -158.754 -7.46683 -158.755 294.36 GPRESSURE: 4328000 452.928 65.0346 -110.706 71.3328 333.141 -14.426 -121.875 -287.386 271.919 PRESSAVG: 4328000 22.7261 -10.6921 -9.9235 -10.6921 18.3039 -23.8241 -9.9235 -23.8241 -4.96179 GPRESSAVG: 4328000 23.518 -11.2414 -11.1396 -12.7736 17.0657 -23.1512 -10.3881 -24.5198 -4.89179 TIMING: 4328000 CPU: 13686.3, 0.00315554/step Wall: 13686.3, 0.00315554/step, 0.589034 hours remaining, 235.851562 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: 4328000 4009.0090 20255.2497 14488.4067 274.1541 -203887.8366 3149.3581 0.0000 0.0000 52244.5230 -109467.1361 300.2500 -161711.6591 -109096.8580 299.4828 320.8059 352.6628 761773.6652 12.0227 11.8973 PRESSURE: 4328200 -153.312 -6.57037 163.607 -6.57058 -88.2789 123.969 163.608 123.968 392.962 GPRESSURE: 4328200 -161.971 35.7326 206.845 -52.8925 47.7346 166.955 264.259 157.601 365.654 PRESSAVG: 4328200 2.71107 -17.6609 40.4721 -17.6608 -1.72326 -14.736 40.4721 -14.736 7.1697 GPRESSAVG: 4328200 2.38824 -17.0163 40.848 -17.2324 -1.94103 -15.4104 41.3406 -11.7413 7.44452 TIMING: 4328200 CPU: 13686.9, 0.00317827/step Wall: 13686.9, 0.00317827/step, 0.593101 hours remaining, 235.851562 MB of memory in use. ENERGY: 4328200 3949.7414 20526.1338 14454.9547 275.0631 -203787.9358 2734.4206 0.0000 0.0000 52241.2104 -109606.4117 300.2310 -161847.6221 -109232.1270 299.5470 50.4571 83.8058 761546.5695 2.7192 2.6306 LDB: ============= START OF LOAD BALANCING ============== 13699.5 LDB: ============== END OF LOAD BALANCING =============== 13699.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13699.5 LDB: ============= START OF LOAD BALANCING ============== 13699.8 LDB: Largest compute 7075 load 0.035295 is 18.0% of average load 0.195632 LDB: Average compute 0.004382 is 2.2% of average load 0.195632 LDB: TIME 13699.8 LOAD: AVG 0.195632 MAX 0.213169 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 13699.8 LOAD: AVG 0.195632 MAX 0.213169 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.09 MB LDB: TIME 13699.8 LOAD: AVG 0.195632 MAX 0.213169 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.09 MB LDB: ============== END OF LOAD BALANCING =============== 13699.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13699.8 PRESSURE: 4328400 182.985 -140.326 111.279 -140.326 26.6025 -84.2556 111.279 -84.2567 -113.634 GPRESSURE: 4328400 182.509 -19.7065 112.19 -76.6486 143.168 8.75695 102.18 -175.68 -146.287 PRESSAVG: 4328400 61.2972 -8.32572 25.9383 -8.32573 4.7696 -34.9171 25.9382 -34.9171 -5.22717 GPRESSAVG: 4328400 60.6747 -9.01488 26.6848 -6.04822 6.04982 -37.054 23.3096 -36.1338 -5.96238 TIMING: 4328400 CPU: 13687.6, 0.00323536/step Wall: 13687.6, 0.00323536/step, 0.603575 hours remaining, 236.562500 MB of memory in use. ENERGY: 4328400 3942.0419 20588.0098 14468.5767 241.8843 -203584.7575 2624.7908 0.0000 0.0000 51967.6107 -109751.8434 298.6586 -161719.4541 -109382.5690 299.1086 31.9845 59.7968 761620.9076 20.2799 20.2540 PRESSURE: 4328600 -220.194 58.6426 246.955 58.642 -267.121 -175.912 246.955 -175.912 38.7808 GPRESSURE: 4328600 -218.547 31.4749 278.286 18.4404 -238.107 -207.143 211.541 -139.839 93.2633 PRESSAVG: 4328600 34.9882 -84.6896 82.4286 -84.6896 -18.3155 -68.6326 82.4287 -68.6326 11.09 GPRESSAVG: 4328600 34.3218 -83.675 84.0567 -88.8355 -18.2076 -67.967 84.1286 -68.2987 12.1246 TIMING: 4328600 CPU: 13688.2, 0.00317264/step Wall: 13688.2, 0.00317264/step, 0.591698 hours remaining, 236.562500 MB of memory in use. ENERGY: 4328600 3975.1292 20636.4166 14520.1066 254.1842 -203692.7417 2581.2637 0.0000 0.0000 52096.3374 -109629.3041 299.3984 -161725.6415 -109260.5621 299.2897 -149.5115 -121.1303 761484.2262 9.2542 9.4129 PRESSURE: 4328800 -321.295 -268.222 -90.912 -268.222 -318.34 99.2095 -90.912 99.2082 -99.1505 GPRESSURE: 4328800 -298.021 -185.211 -104.594 -94.065 -235.411 146.548 -191.144 -9.94674 -131.308 PRESSAVG: 4328800 8.91455 20.1993 -0.147218 20.1992 -30.4999 -54.184 -0.147217 -54.1839 5.75634 GPRESSAVG: 4328800 9.46152 18.9478 -0.786319 23.1113 -30.9026 -52.5449 -0.392861 -56.4587 5.27747 TIMING: 4328800 CPU: 13688.8, 0.00317143/step Wall: 13688.8, 0.00317143/step, 0.591295 hours remaining, 236.562500 MB of memory in use. ENERGY: 4328800 4006.7647 20692.7732 14435.3860 228.4085 -203622.7229 2490.4397 0.0000 0.0000 51933.5090 -109835.4419 298.4626 -161768.9508 -109478.7623 298.4126 -246.2618 -221.5798 761500.3754 -5.2763 -5.3879 PRESSURE: 4329000 -48.1554 111.272 65.7948 111.272 -279.391 -113.548 65.7938 -113.547 -347.155 GPRESSURE: 4329000 38.4511 171.004 108.398 28.1577 -337.39 -170.413 -104.055 -43.3903 -277.849 PRESSAVG: 4329000 -36.931 3.64318 -5.73974 3.64319 2.29931 5.1743 -5.73978 5.17427 14.6337 GPRESSAVG: 4329000 -36.5018 4.04306 -6.24034 4.27031 3.30925 2.76855 -5.11719 7.76348 13.588 TIMING: 4329000 CPU: 13689.5, 0.00318919/step Wall: 13689.5, 0.00318919/step, 0.59443 hours remaining, 236.562500 MB of memory in use. ENERGY: 4329000 3997.7601 20669.1433 14505.4177 257.9882 -203135.1866 2324.3095 0.0000 0.0000 51652.9030 -109727.6648 296.8499 -161380.5678 -109370.7726 298.4503 -224.9004 -192.2627 762375.9738 -6.6660 -6.5349 PRESSURE: 4329200 61.4971 -163.919 -61.5104 -163.918 25.5942 -291.079 -61.5099 -291.079 371.035 GPRESSURE: 4329200 34.4796 -190.334 -49.1908 -166.287 105.91 -402.345 15.6453 -167.109 397.141 PRESSAVG: 4329200 -35.1029 -19.1971 24.8011 -19.1972 -25.601 -14.6913 24.8012 -14.6913 1.81042 GPRESSAVG: 4329200 -34.4284 -18.7832 25.0425 -18.7244 -27.4175 -13.0197 27.0108 -14.9851 2.49313 TIMING: 4329200 CPU: 13690.1, 0.00316808/step Wall: 13690.1, 0.00316808/step, 0.590319 hours remaining, 236.562500 MB of memory in use. ENERGY: 4329200 3993.6270 20490.6468 14411.5151 245.6978 -203620.4965 2632.5019 0.0000 0.0000 52054.5398 -109791.9681 299.1582 -161846.5079 -109420.2773 298.6335 152.7087 179.1769 762173.5225 -19.6312 -19.7843 PRESSURE: 4329400 131.822 104.735 389.395 104.735 43.0267 1.45578 389.396 1.45643 67.0101 GPRESSURE: 4329400 196.763 173.243 378.924 -10.545 43.9648 -16.6734 262.822 75.9436 81.5527 PRESSAVG: 4329400 2.17536 -16.5932 76.8965 -16.5932 -44.5462 -17.0434 76.8964 -17.0434 0.0157012 GPRESSAVG: 4329400 0.883047 -14.8052 77.6427 -18.8798 -43.8067 -15.9703 76.1813 -16.6343 0.780708 TIMING: 4329400 CPU: 13690.7, 0.00317272/step Wall: 13690.7, 0.00317273/step, 0.591008 hours remaining, 236.562500 MB of memory in use. ENERGY: 4329400 4059.0710 20464.1206 14456.2417 249.2760 -203491.1822 2557.8113 0.0000 0.0000 52020.3395 -109684.3220 298.9616 -161704.6615 -109318.1356 298.6547 80.6197 107.4269 762193.1800 -14.1184 -14.0476 PRESSURE: 4329600 73.4992 -215.607 -197.086 -215.607 -177.957 43.7862 -197.086 43.7855 -527.867 GPRESSURE: 4329600 21.7801 -75.127 -235.411 -308.548 -120.526 7.73093 -217.134 37.8904 -423.9 PRESSAVG: 4329600 51.8398 -38.1089 22.5913 -38.1089 -41.8113 -12.8363 22.5913 -12.8363 12.4774 GPRESSAVG: 4329600 51.7893 -40.2385 22.0226 -36.155 -41.2786 -14.8125 20.0653 -12.3607 11.6444 TIMING: 4329600 CPU: 13691.4, 0.00316176/step Wall: 13691.4, 0.00316176/step, 0.588791 hours remaining, 236.562500 MB of memory in use. ENERGY: 4329600 4012.3357 20421.0641 14546.8078 255.9191 -203703.7273 2929.3715 0.0000 0.0000 52082.0821 -109456.1470 299.3164 -161538.2290 -109098.7976 299.2251 -210.7750 -174.2154 761875.6932 7.5020 7.3850 PRESSURE: 4329800 209.897 209.744 -220.353 209.744 77.4527 -333.313 -220.352 -333.313 38.0285 GPRESSURE: 4329800 231.077 158.047 -136.127 189.721 114.958 -302.079 -85.926 -341.507 53.9473 PRESSAVG: 4329800 14.645 -18.0364 35.0077 -18.0365 -20.3832 -54.8951 35.0077 -54.895 8.00889 GPRESSAVG: 4329800 15.6416 -17.3982 34.2434 -19.0283 -21.7353 -53.232 37.2257 -55.3386 7.52966 TIMING: 4329800 CPU: 13692, 0.00317929/step Wall: 13692, 0.00317929/step, 0.591878 hours remaining, 236.562500 MB of memory in use. ENERGY: 4329800 4023.7112 20445.9436 14532.5699 229.3965 -203833.0151 2886.4302 0.0000 0.0000 52199.9137 -109515.0499 299.9936 -161714.9636 -109145.2594 299.6902 108.4593 133.3275 762505.9056 0.7569 0.4787 PRESSURE: 4330000 317.979 103.463 -308.993 103.464 114.418 -120.362 -308.993 -120.363 361.649 GPRESSURE: 4330000 285.459 188.207 -340.774 13.8033 248.569 -107.421 -270.011 -135.52 352.579 PRESSAVG: 4330000 49.7502 26.8402 -31.0709 26.8402 -66.9026 -9.25636 -31.0708 -9.25636 -12.9024 GPRESSAVG: 4330000 47.3567 24.6028 -31.6069 27.3563 -65.903 -10.7451 -30.0035 -8.80603 -11.3956 TIMING: 4330000 CPU: 13692.6, 0.00318454/step Wall: 13692.6, 0.00318455/step, 0.592679 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: 4330000 3977.4909 20490.1469 14510.9722 244.5770 -203598.1018 2812.0100 0.0000 0.0000 52218.0051 -109344.8998 300.0976 -161562.9049 -108975.2798 299.4707 264.6819 295.5357 761495.7404 -10.0183 -9.9806 PRESSURE: 4330200 288.332 36.0557 69.572 36.0544 29.9304 -59.1975 69.5715 -59.1983 160.411 GPRESSURE: 4330200 270.193 -77.8997 30.584 -15.4996 90.4482 -89.5504 84.5788 131.926 177.002 PRESSAVG: 4330200 -1.20707 16.5303 -22.5678 16.5303 -3.90268 -12.1168 -22.5677 -12.1167 6.09828 GPRESSAVG: 4330200 0.169565 18.5429 -21.6258 15.2737 -3.78319 -11.7223 -25.3137 -11.799 4.74605 TIMING: 4330200 CPU: 13693.3, 0.00319568/step Wall: 13693.3, 0.00319568/step, 0.594574 hours remaining, 236.562500 MB of memory in use. ENERGY: 4330200 3954.5468 20587.9578 14464.7079 248.4196 -203636.6245 2672.3079 0.0000 0.0000 52367.6777 -109341.0069 300.9578 -161708.6846 -108985.1365 300.0232 159.5579 179.2146 760099.9242 0.3295 0.3775 PRESSURE: 4330400 144.192 -11.3144 -156.534 -11.3135 18.4838 -70.8424 -156.533 -70.8429 29.9186 GPRESSURE: 4330400 122.709 -126.493 -165.064 107.142 111.141 -139.78 -62.3092 -202.328 38.3837 PRESSAVG: 4330400 26.1451 2.11117 -37.7298 2.11122 6.93273 -7.21985 -37.7298 -7.21985 -5.46487 GPRESSAVG: 4330400 26.2543 3.77678 -36.8439 1.32183 5.90457 -8.20604 -37.7281 -9.04027 -4.6441 TIMING: 4330400 CPU: 13693.9, 0.00317142/step Wall: 13693.9, 0.00317142/step, 0.589883 hours remaining, 236.562500 MB of memory in use. ENERGY: 4330400 4028.3444 20486.1344 14515.1991 255.5295 -203644.7816 2825.0438 0.0000 0.0000 52134.5356 -109399.9948 299.6179 -161534.5304 -109048.4353 299.8692 64.1982 90.7448 760611.4368 9.2043 9.1716 PRESSURE: 4330600 111.618 23.9402 125.8 23.9405 -245.145 -120.782 125.8 -120.782 19.4578 GPRESSURE: 4330600 91.3065 124.494 68.5006 46.2949 -130.045 -84.5942 57.2488 -223.448 40.0478 PRESSAVG: 4330600 35.3968 -2.3731 -43.0295 -2.37307 -35.843 -26.6666 -43.0296 -26.6666 24.2366 GPRESSAVG: 4330600 34.3282 -1.77547 -44.9165 -2.55479 -34.8733 -25.1243 -42.8034 -23.1164 23.7336 TIMING: 4330600 CPU: 13694.6, 0.00317876/step Wall: 13694.6, 0.00317876/step, 0.591072 hours remaining, 236.562500 MB of memory in use. ENERGY: 4330600 3958.6443 20576.5130 14466.7997 236.0575 -203410.9552 2378.9309 0.0000 0.0000 52202.9853 -109591.0246 300.0113 -161794.0099 -109215.9420 299.5912 -38.0230 0.4364 761146.2663 7.9301 7.7295 PRESSURE: 4330800 -243.46 -106.811 -38.6653 -106.811 -196.398 -365.635 -38.6654 -365.634 -173.847 GPRESSURE: 4330800 -167.002 -73.5047 -66.167 -51.9846 -186.514 -272.173 -67.6057 -296.952 -186.295 PRESSAVG: 4330800 29.6501 11.1801 27.4953 11.1801 6.95802 -83.332 27.4953 -83.332 11.7385 GPRESSAVG: 4330800 31.0333 8.56527 28.9393 12.3994 6.66833 -83.9427 27.0177 -84.9259 10.7101 TIMING: 4330800 CPU: 13695.2, 0.00318424/step Wall: 13695.2, 0.00318424/step, 0.591914 hours remaining, 236.562500 MB of memory in use. ENERGY: 4330800 4005.2958 20679.4646 14451.5124 240.0131 -203474.9486 2425.9461 0.0000 0.0000 52136.1083 -109536.6084 299.6269 -161672.7167 -109177.2948 299.4302 -204.5684 -179.9370 762870.6362 16.1155 16.1373 PRESSURE: 4331000 -99.4743 85.0608 85.8414 85.0611 222.226 169.064 85.8412 169.064 157.192 GPRESSURE: 4331000 -63.0751 11.037 -22.9877 60.6009 212.12 194.219 92.6488 150.782 200.155 PRESSAVG: 4331000 -26.7877 -12.4649 15.8128 -12.4649 29.9392 -9.20444 15.8127 -9.20441 -0.916782 GPRESSAVG: 4331000 -27.8624 -12.2929 13.7357 -11.1996 29.1728 -8.09756 15.9854 -8.68328 0.649506 TIMING: 4331000 CPU: 13695.8, 0.00318318/step Wall: 13695.8, 0.00318318/step, 0.591541 hours remaining, 236.562500 MB of memory in use. ENERGY: 4331000 3940.9298 20516.5527 14422.8364 250.8399 -203645.8786 2804.0681 0.0000 0.0000 51974.3936 -109736.2580 298.6976 -161710.6516 -109368.0329 299.2568 93.3144 116.4001 761658.9767 0.7449 0.6533 PRESSURE: 4331200 243.035 -55.8513 -66.4723 -55.8516 192.149 128.969 -66.4724 128.97 -1.73011 GPRESSURE: 4331200 224.242 12.3324 -24.7223 -113.736 312.907 120.002 37.2475 28.3397 1.35772 PRESSAVG: 4331200 -4.16977 -2.69871 33.5968 -2.69872 15.6817 16.5764 33.5968 16.5764 -26.4033 GPRESSAVG: 4331200 -4.67244 -1.15327 35.2282 -3.10835 15.6077 15.6858 33.0878 15.0175 -25.9962 TIMING: 4331200 CPU: 13696.5, 0.00317349/step Wall: 13696.5, 0.00317349/step, 0.589564 hours remaining, 236.562500 MB of memory in use. ENERGY: 4331200 4002.9813 20446.9427 14435.3256 250.9672 -204005.3479 2988.2579 0.0000 0.0000 52182.2652 -109698.6078 299.8922 -161880.8730 -109331.6748 298.8608 144.4847 179.5022 760617.6088 -4.9638 -5.0203 PRESSURE: 4331400 32.4787 -183.119 72.6159 -183.119 -2.20145 -0.908588 72.616 -0.908585 196.435 GPRESSURE: 4331400 75.7967 -168.53 51.328 -97.3905 11.7415 -3.25455 19.9113 -9.42016 212.523 PRESSAVG: 4331400 -1.20847 -29.5238 7.67788 -29.5238 -5.12322 39.9905 7.67782 39.9905 -1.89566 GPRESSAVG: 4331400 -0.767246 -32.3479 7.71579 -29.8581 -4.94197 39.2094 6.9994 40.6231 -2.42814 TIMING: 4331400 CPU: 13697.1, 0.00317011/step Wall: 13697.1, 0.00317011/step, 0.58876 hours remaining, 236.562500 MB of memory in use. ENERGY: 4331400 3992.1430 20555.0541 14476.2014 275.4956 -203817.1904 2704.2784 0.0000 0.0000 52218.5317 -109595.4863 300.1006 -161814.0180 -109242.3062 299.2821 75.5708 100.0203 761786.2955 -2.7425 -2.7124 PRESSURE: 4331600 94.3769 -52.9935 -2.59236 -52.9937 110.915 -102.326 -2.59221 -102.327 467.012 GPRESSURE: 4331600 137.109 48.9661 -9.07144 -74.1514 171.848 -118.342 68.8225 -148.437 436.788 PRESSAVG: 4331600 -30.0764 36.7417 10.8598 36.7417 -10.2678 14.9368 10.8598 14.9368 9.39113 GPRESSAVG: 4331600 -30.043 38.9275 10.7576 38.471 -10.2625 15.5571 11.7466 15.6777 9.68007 TIMING: 4331600 CPU: 13697.7, 0.00317245/step Wall: 13697.7, 0.00317245/step, 0.589017 hours remaining, 236.562500 MB of memory in use. ENERGY: 4331600 3927.9003 20429.0613 14497.6084 229.5046 -203562.0981 2789.5342 0.0000 0.0000 51954.9266 -109733.5626 298.5857 -161688.4892 -109356.5375 299.2295 224.1014 248.5815 761748.9376 -10.3177 -10.2085 PRESSURE: 4331800 221.392 241.699 -157.283 241.699 302.446 44.5951 -157.283 44.5948 122.241 GPRESSURE: 4331800 252.48 265.408 -46.3031 146.55 330.218 2.27759 -217.169 37.2493 161.724 PRESSAVG: 4331800 -50.4894 26.711 -9.24865 26.7109 40.0153 4.60829 -9.24864 4.6082 4.29233 GPRESSAVG: 4331800 -49.508 27.0686 -8.9703 23.9838 38.4375 4.40797 -8.92061 5.4764 5.11134 TIMING: 4331800 CPU: 13698.4, 0.00315376/step Wall: 13698.4, 0.00315376/step, 0.585373 hours remaining, 236.562500 MB of memory in use. ENERGY: 4331800 3952.4053 20521.6789 14456.2451 238.0024 -203466.3222 2694.0447 0.0000 0.0000 52166.2113 -109437.7347 299.7999 -161603.9459 -109080.4586 299.6463 215.3594 248.1407 761046.1324 -2.0606 -1.9864 PRESSURE: 4332000 400.776 -186.767 300.357 -186.768 189.081 118.274 300.356 118.274 554.823 GPRESSURE: 4332000 488.98 -95.5297 259.531 -57.5355 199.092 61.9405 195.013 134.995 562.691 PRESSAVG: 4332000 35.1958 -44.6447 24.0041 -44.6447 8.26203 27.1823 24.0041 27.1823 2.46667 GPRESSAVG: 4332000 36.0915 -45.0106 23.3612 -44.1566 9.29255 26.6217 23.2499 25.7272 0.698531 TIMING: 4332000 CPU: 13699, 0.00317183/step Wall: 13699, 0.00317183/step, 0.58855 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: 4332000 3951.1261 20540.4392 14379.6193 233.5752 -203379.7121 2810.8203 0.0000 0.0000 52011.7761 -109452.3557 298.9124 -161464.1318 -109101.3034 299.3828 381.5599 416.9210 760763.6218 15.3082 15.3609 PRESSURE: 4332200 -233.037 -61.2262 158.403 -61.2263 341.706 69.1222 158.403 69.122 -0.0890239 GPRESSURE: 4332200 -206.089 -58.0833 89.7631 -136.652 350.983 104.596 115.111 188.148 54.0926 PRESSAVG: 4332200 11.9908 -25.7311 8.23345 -25.7311 -9.0811 7.45909 8.23347 7.4591 16.4962 GPRESSAVG: 4332200 11.2975 -27.8212 6.87891 -23.2602 -9.55398 7.36495 8.06032 6.62549 17.8162 TIMING: 4332200 CPU: 13699.6, 0.00315832/step Wall: 13699.6, 0.00315832/step, 0.585869 hours remaining, 236.562500 MB of memory in use. ENERGY: 4332200 3985.6174 20831.4166 14441.4360 233.9758 -203556.9371 2722.6107 0.0000 0.0000 51796.7092 -109545.1714 297.6764 -161341.8806 -109194.1441 299.2167 36.1934 66.3287 760962.2649 6.4686 6.5199 LDB: ============= START OF LOAD BALANCING ============== 13712.2 LDB: ============== END OF LOAD BALANCING =============== 13712.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13712.2 LDB: ============= START OF LOAD BALANCING ============== 13712.5 LDB: Largest compute 7075 load 0.037088 is 19.0% of average load 0.195615 LDB: Average compute 0.004394 is 2.2% of average load 0.195615 LDB: TIME 13712.5 LOAD: AVG 0.195615 MAX 0.212829 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.031 MB LDB: TIME 13712.5 LOAD: AVG 0.195615 MAX 0.212829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.031 MB LDB: TIME 13712.5 LOAD: AVG 0.195615 MAX 0.212829 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.031 MB LDB: ============== END OF LOAD BALANCING =============== 13712.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13712.5 PRESSURE: 4332400 30.6154 50.8827 -124.555 50.8827 204.242 2.21955 -124.555 2.21957 50.1579 GPRESSURE: 4332400 157.076 -10.6211 -88.7606 67.1077 236.552 16.9792 -182.762 -4.5779 -21.3036 PRESSAVG: 4332400 -9.58506 -25.6603 22.3468 -25.6603 87.2437 37.218 22.3469 37.218 13.9045 GPRESSAVG: 4332400 -8.59243 -26.0863 22.932 -25.1693 87.5053 37.9857 22.1145 38.8712 12.5475 TIMING: 4332400 CPU: 13700.3, 0.00325628/step Wall: 13700.3, 0.00325628/step, 0.603859 hours remaining, 236.542969 MB of memory in use. ENERGY: 4332400 3985.1694 20484.8746 14459.4044 254.3987 -203588.5958 2539.7412 0.0000 0.0000 52135.1845 -109729.8230 299.6216 -161865.0075 -109349.8298 299.1535 95.0049 124.1082 760262.5962 30.5211 30.4868 PRESSURE: 4332600 -91.2324 -19.3185 169.997 -19.3176 -76.8005 100.253 169.996 100.253 247.367 GPRESSURE: 4332600 -96.0805 0.506041 196.248 31.8133 -77.6657 122.647 82.6641 41.1234 304.172 PRESSAVG: 4332600 34.5579 -3.37512 -39.8759 -3.3751 -2.15093 10.3514 -39.8759 10.3515 -30.2465 GPRESSAVG: 4332600 33.104 -0.788623 -38.8568 -5.85251 -2.25545 9.93681 -39.7254 10.2469 -29.0988 TIMING: 4332600 CPU: 13700.9, 0.00320375/step Wall: 13700.9, 0.00320375/step, 0.59394 hours remaining, 236.542969 MB of memory in use. ENERGY: 4332600 4001.4456 20640.3384 14449.2555 250.9352 -203333.4258 2486.4422 0.0000 0.0000 51954.3090 -109550.6999 298.5821 -161505.0089 -109192.7587 299.7481 26.4447 43.4753 762683.8996 0.7202 0.5833 PRESSURE: 4332800 -148.926 244.169 121.396 244.169 -355.58 -101.177 121.397 -101.177 -42.2202 GPRESSURE: 4332800 -142.342 163.547 138.21 105.981 -291.239 -160.182 184.776 -60.7992 -20.0476 PRESSAVG: 4332800 30.8519 14.2717 22.6218 14.2717 -60.4623 -3.81393 22.6218 -3.81401 -29.0701 GPRESSAVG: 4332800 31.614 13.1383 22.0354 14.1845 -60.3315 -5.11701 22.1789 -3.35169 -29.7077 TIMING: 4332800 CPU: 13701.6, 0.00319592/step Wall: 13701.6, 0.00319592/step, 0.592311 hours remaining, 236.542969 MB of memory in use. ENERGY: 4332800 3949.8251 20309.9406 14487.8029 228.1967 -203460.1023 2474.9787 0.0000 0.0000 52439.5044 -109569.8540 301.3706 -162009.3584 -109194.2283 299.6481 -182.2418 -151.2095 762413.4388 -19.5602 -19.4751 PRESSURE: 4333000 176.348 2.40081 -1.41479 2.40105 243.375 84.9866 -1.41521 84.9868 59.1955 GPRESSURE: 4333000 255.873 -65.606 -20.1905 -6.65206 290.46 63.3617 -61.8273 158.976 26.8583 PRESSAVG: 4333000 11.5866 20.4478 5.53198 20.4477 -23.2893 -6.96919 5.53204 -6.96927 14.9655 GPRESSAVG: 4333000 10.8095 18.9124 3.93663 19.6775 -23.0886 -5.18931 8.35435 -6.15334 15.3771 TIMING: 4333000 CPU: 13702.2, 0.00317663/step Wall: 13702.2, 0.00317663/step, 0.588558 hours remaining, 236.542969 MB of memory in use. ENERGY: 4333000 3957.9247 20387.4826 14426.3914 249.1463 -203719.1815 2679.9465 0.0000 0.0000 52236.3662 -109781.9239 300.2031 -162018.2901 -109401.8076 299.3859 159.6396 191.0636 760796.4595 1.0876 1.0327 PRESSURE: 4333200 -81.5941 -26.6963 55.1625 -26.696 170 -118.31 55.1631 -118.311 -41.4476 GPRESSURE: 4333200 -13.3534 122.956 84.4399 -54.5882 217.103 -151.258 -63.056 -78.4479 -52.4404 PRESSAVG: 4333200 9.19107 -39.0079 27.9988 -39.008 32.3974 27.1134 27.9988 27.1135 11.5092 GPRESSAVG: 4333200 10.0156 -36.9045 28.5587 -38.2377 31.9348 27.1453 25.5078 25.6168 11.2238 TIMING: 4333200 CPU: 13702.8, 0.003158/step Wall: 13702.8, 0.003158/step, 0.584931 hours remaining, 236.542969 MB of memory in use. ENERGY: 4333200 3938.9791 20210.9375 14454.3347 244.6834 -203621.2251 2821.7286 0.0000 0.0000 52168.2534 -109782.3084 299.8117 -161950.5618 -109415.9542 298.9622 15.6526 50.4363 761025.3844 17.6992 17.7248 PRESSURE: 4333400 86.5322 -28.0126 200.398 -28.0125 -62.4317 165.651 200.398 165.65 208.307 GPRESSURE: 4333400 152.192 -128.094 164.426 -95.0242 -103.421 167.197 156.467 186.265 266.662 PRESSAVG: 4333400 27.37 -8.07698 22.3039 -8.07696 -33.9318 10.4807 22.3038 10.4806 -16.3643 GPRESSAVG: 4333400 27.6955 -10.6877 23.5062 -6.15554 -34.0568 9.6099 21.3568 11.3048 -16.3753 TIMING: 4333400 CPU: 13703.5, 0.00315963/step Wall: 13703.5, 0.00315963/step, 0.585057 hours remaining, 236.542969 MB of memory in use. ENERGY: 4333400 3980.5617 20182.8243 14431.0388 235.1097 -203416.9180 2575.1324 0.0000 0.0000 51937.2090 -110075.0421 298.4839 -162012.2511 -109692.0352 298.3712 77.4694 105.1445 762961.3589 -7.6420 -7.5789 PRESSURE: 4333600 45.9557 41.5302 -333.088 41.5303 129.813 -140.367 -333.089 -140.366 -362.313 GPRESSURE: 4333600 81.7362 112.732 -311.462 26.4083 117.327 -27.7207 -182.598 -96.5476 -307.78 PRESSAVG: 4333600 31.3808 -48.814 12.4435 -48.8141 -19.5954 -10.7612 12.4435 -10.7613 20.8771 GPRESSAVG: 4333600 31.2379 -47.7076 11.6301 -50.2288 -19.6833 -9.36461 14.6177 -12.2654 21.0248 TIMING: 4333600 CPU: 13704.1, 0.00316326/step Wall: 13704.1, 0.00316326/step, 0.585555 hours remaining, 236.542969 MB of memory in use. ENERGY: 4333600 4009.8930 20364.1621 14377.0316 248.9098 -203408.6698 2499.9444 0.0000 0.0000 51934.0423 -109974.6867 298.4657 -161908.7289 -109619.6580 298.1908 -62.1813 -36.2389 761503.7018 10.8875 10.8598 PRESSURE: 4333800 50.0873 -75.3479 -66.2405 -75.3478 -25.3044 -129.302 -66.2405 -129.303 -152.043 GPRESSURE: 4333800 42.597 -40.9034 -46.349 26.2717 48.6944 -42.6975 -55.5861 -140.329 -132.768 PRESSAVG: 4333800 44.5538 5.97835 34.7054 5.9784 -32.4057 -33.2647 34.7054 -33.2648 -20.0405 GPRESSAVG: 4333800 43.7268 5.35634 35.7716 4.92891 -32.0192 -34.0881 34.2088 -33.1933 -19.8162 TIMING: 4333800 CPU: 13704.7, 0.00315919/step Wall: 13704.7, 0.00315919/step, 0.584626 hours remaining, 236.542969 MB of memory in use. ENERGY: 4333800 3974.6560 20274.8186 14456.3912 253.9380 -203446.3294 2729.3457 0.0000 0.0000 51746.3447 -110010.8352 297.3870 -161757.1800 -109651.7328 297.5267 -42.4199 -13.8255 761115.4130 -2.6308 -2.7028 PRESSURE: 4334000 -111.479 23.5059 175.199 23.5068 -70.5382 98.2652 175.2 98.2644 13.1263 GPRESSURE: 4334000 8.54183 20.1265 156.216 -137.523 -95.2781 150.035 141.44 -107.409 6.80811 PRESSAVG: 4334000 37.5026 -26.2325 63.7384 -26.2325 -49.7147 3.93492 63.7384 3.93493 -3.45731 GPRESSAVG: 4334000 38.4764 -24.7293 64.4054 -25.4124 -50.4945 3.32075 63.265 4.52395 -3.74991 TIMING: 4334000 CPU: 13705.4, 0.0031761/step Wall: 13705.4, 0.0031761/step, 0.587578 hours remaining, 236.542969 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: 4334000 3959.1967 20386.6177 14358.9003 245.4879 -203413.3040 2562.8672 0.0000 0.0000 51688.7581 -110211.4761 297.0560 -161900.2342 -109849.9489 298.0256 -56.2971 -26.6427 761117.1280 -5.2231 -5.2560 PRESSURE: 4334200 98.5207 -177.917 142.929 -177.917 -186.674 335.831 142.929 335.831 -305.531 GPRESSURE: 4334200 90.4141 -131.158 52.0546 -121.15 -196.958 321.782 164.971 291.349 -194.355 PRESSAVG: 4334200 29.8324 -6.45578 35.7196 -6.45575 -72.2529 21.0435 35.7196 21.0436 16.5734 GPRESSAVG: 4334200 29.3185 -6.06475 33.7107 -6.86878 -71.9005 20.4805 37.4462 21.3185 16.7033 TIMING: 4334200 CPU: 13706, 0.0031628/step Wall: 13706, 0.0031628/step, 0.584942 hours remaining, 236.542969 MB of memory in use. ENERGY: 4334200 4016.1494 20221.1522 14342.4659 229.2110 -203534.0982 2557.3414 0.0000 0.0000 51974.2423 -110193.5361 298.6967 -162167.7783 -109840.6658 297.6609 -131.2280 -100.2996 759823.4272 -8.6157 -8.6263 PRESSURE: 4334400 -98.0968 -412.402 -237.312 -412.403 211.596 125.317 -237.311 125.317 -121.094 GPRESSURE: 4334400 -12.2498 -280.574 -163.448 -479.14 229.082 161.698 -240.474 1.70935 -145.948 PRESSAVG: 4334400 -34.6211 -24.3074 30.9604 -24.3073 51.0601 45.1116 30.9604 45.1116 -1.24399 GPRESSAVG: 4334400 -34.3701 -24.3541 30.9323 -25.5952 51.5115 46.1531 28.8647 44.6832 -1.7001 TIMING: 4334400 CPU: 13706.6, 0.00318927/step Wall: 13706.6, 0.00318927/step, 0.589661 hours remaining, 236.542969 MB of memory in use. ENERGY: 4334400 3929.0177 20428.1796 14435.9976 229.9464 -203940.4831 2884.4643 0.0000 0.0000 51914.5180 -110118.3595 298.3534 -162032.8775 -109761.3872 298.1095 -2.5316 23.6283 759719.3489 5.0650 5.1471 PRESSURE: 4334600 68.9168 53.2006 -271.909 53.2011 -64.6591 -84.4087 -271.908 -84.4088 -126.771 GPRESSURE: 4334600 79.1967 -6.56761 -253.14 63.8666 -35.8223 -174.494 -94.6797 -59.0146 -71.3218 PRESSAVG: 4334600 -21.5715 -18.1146 5.8655 -18.1146 4.99306 39.6969 5.86555 39.6969 -0.308941 GPRESSAVG: 4334600 -21.7922 -17.9574 5.45227 -19.2392 4.42161 39.1253 7.48851 40.7138 1.06083 TIMING: 4334600 CPU: 13707.3, 0.00317217/step Wall: 13707.3, 0.00317217/step, 0.586322 hours remaining, 236.542969 MB of memory in use. ENERGY: 4334600 4056.4038 20546.3884 14386.4084 254.5343 -203339.4565 2525.2923 0.0000 0.0000 51682.9031 -109887.5262 297.0224 -161570.4293 -109538.0677 297.5962 -40.8378 -9.3158 759462.7301 -5.6291 -5.4366 PRESSURE: 4334800 186.803 139.365 228.964 139.364 -123.857 142.852 228.963 142.851 137.304 GPRESSURE: 4334800 242.694 197.653 183.858 115.364 -143.719 276.651 126.236 19.0795 178.739 PRESSAVG: 4334800 -6.18039 -34.6347 -7.21683 -34.6346 8.77913 -5.95116 -7.21676 -5.95123 0.031372 GPRESSAVG: 4334800 -5.03609 -36.74 -6.87674 -32.0793 7.96906 -5.27488 -7.67643 -6.27815 -0.549521 TIMING: 4334800 CPU: 13707.9, 0.00318807/step Wall: 13707.9, 0.00318807/step, 0.589085 hours remaining, 236.542969 MB of memory in use. ENERGY: 4334800 3929.3033 20522.3682 14476.6404 246.2619 -204109.6030 3006.4944 0.0000 0.0000 52076.7502 -109851.7847 299.2858 -161928.5349 -109497.1642 298.2879 66.7499 92.5716 760472.8458 0.8767 0.7945 PRESSURE: 4335000 192.154 -317.775 198.109 -317.774 32.4486 191.287 198.11 191.288 85.1833 GPRESSURE: 4335000 299.06 -313.329 120.718 -280.455 108.464 254.31 187.633 225.901 -8.94344 PRESSAVG: 4335000 50.7024 -37.4581 -14.2549 -37.4581 -6.9057 19.8259 -14.2549 19.826 -10.0641 GPRESSAVG: 4335000 49.8342 -35.3604 -13.8318 -37.8749 -5.94083 19.1396 -16.8208 20.7912 -10.7137 TIMING: 4335000 CPU: 13708.5, 0.00318651/step Wall: 13708.5, 0.00318651/step, 0.588619 hours remaining, 236.542969 MB of memory in use. ENERGY: 4335000 3936.5864 20413.0662 14438.9046 247.4346 -203750.3557 2938.3999 0.0000 0.0000 51948.4726 -109827.4913 298.5486 -161775.9639 -109452.5170 298.7066 103.2620 132.8604 759481.2984 11.2442 11.0599 PRESSURE: 4335200 -177.191 79.3636 -96.464 79.3641 193.251 108.195 -96.464 108.195 111.727 GPRESSURE: 4335200 -118.714 103.188 -127.773 230.848 201.561 85.3805 -49.1281 8.95001 127.41 PRESSAVG: 4335200 29.5415 27.2448 -1.1144 27.2448 -34.1696 38.3587 -1.11444 38.3587 9.08937 GPRESSAVG: 4335200 29.8417 25.1771 -2.27528 28.9017 -35.9367 38.6629 1.55123 36.0866 9.84311 TIMING: 4335200 CPU: 13709.2, 0.00316499/step Wall: 13709.2, 0.00316499/step, 0.584469 hours remaining, 236.542969 MB of memory in use. ENERGY: 4335200 3922.7287 20438.5484 14383.5869 262.0088 -203679.2970 2680.8238 0.0000 0.0000 52045.0607 -109946.5397 299.1037 -161991.6004 -109583.6618 298.6738 42.5959 70.0857 761854.5460 1.4871 1.2494 PRESSURE: 4335400 -18.1364 -48.0921 20.9422 -48.0929 -150.6 204.092 20.9426 204.092 -30.1392 GPRESSURE: 4335400 51.3689 7.7471 28.866 170.251 -136.946 133.979 -72.2829 399.758 -29.1233 PRESSAVG: 4335400 -2.79385 22.8023 53.7618 22.8023 -4.37549 16.7868 53.7618 16.7867 0.258977 GPRESSAVG: 4335400 -3.40746 24.0703 54.7436 23.5439 -2.52741 17.5315 53.8004 18.0756 -0.737863 TIMING: 4335400 CPU: 13709.8, 0.00318089/step Wall: 13709.8, 0.00318089/step, 0.587228 hours remaining, 236.542969 MB of memory in use. ENERGY: 4335400 3957.7037 20394.9911 14441.8320 240.1061 -203734.0555 2657.2322 0.0000 0.0000 52167.0006 -109875.1898 299.8045 -162042.1904 -109501.9323 298.2051 -66.2920 -38.2333 759722.2584 -2.3035 -2.2242 PRESSURE: 4335600 -151.496 100.797 7.09821 100.798 -380.145 146.28 7.09822 146.279 -562.821 GPRESSURE: 4335600 -100.091 159.988 6.73016 82.333 -366.756 116.623 -124.048 72.7822 -542.771 PRESSAVG: 4335600 60.0474 23.0763 56.3771 23.0763 -47.0848 31.2581 56.3771 31.2582 31.1197 GPRESSAVG: 4335600 60.1501 24.3476 57.0214 21.4146 -48.1851 31.7053 52.6953 31.361 31.7805 TIMING: 4335600 CPU: 13710.4, 0.0031878/step Wall: 13710.4, 0.0031878/step, 0.588326 hours remaining, 236.542969 MB of memory in use. ENERGY: 4335600 4009.7536 20335.1561 14511.8077 241.6958 -203320.7414 2457.9678 0.0000 0.0000 51876.5952 -109887.7652 298.1355 -161764.3605 -109520.7635 298.1586 -364.8208 -336.5394 761823.4319 14.6941 14.5818 PRESSURE: 4335800 314.341 51.5072 -66.7363 51.5072 195.276 -198.135 -66.7358 -198.135 96.1349 GPRESSURE: 4335800 313.317 90.5525 56.7565 86.4921 248.183 -319.315 -101.883 -89.6586 134.324 PRESSAVG: 4335800 27.4052 -1.05516 29.2761 -1.05515 -10.8603 -5.32022 29.2761 -5.32025 -2.87915 GPRESSAVG: 4335800 26.0352 -3.51051 29.3315 -1.34579 -10.0671 -6.20406 29.8536 -5.32974 -2.68406 TIMING: 4335800 CPU: 13711.1, 0.00319133/step Wall: 13711.1, 0.00319133/step, 0.5888 hours remaining, 236.542969 MB of memory in use. ENERGY: 4335800 3895.2101 20300.4878 14495.9613 238.0653 -203636.1317 2761.6957 0.0000 0.0000 51924.5530 -110020.1586 298.4111 -161944.7115 -109670.3921 297.8112 201.9173 231.9413 759955.7636 4.5553 4.4280 PRESSURE: 4336000 66.1044 121.039 150.922 121.039 120.74 -60.9521 150.921 -60.9518 96.8814 GPRESSURE: 4336000 67.3071 160.614 157.176 72.4931 148.466 -80.1378 223.194 -43.8855 138.243 PRESSAVG: 4336000 3.75837 84.1608 -12.1609 84.1607 -3.17926 14.0106 -12.1609 14.0105 -33.1163 GPRESSAVG: 4336000 5.10053 86.9787 -13.9344 82.2195 -4.48712 13.2186 -9.74296 16.1578 -33.2036 TIMING: 4336000 CPU: 13711.7, 0.00318398/step Wall: 13711.7, 0.00318398/step, 0.587267 hours remaining, 236.542969 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: 4336000 3984.5777 20399.9412 14452.9000 245.5957 -203531.3160 2608.4516 0.0000 0.0000 51703.5539 -110136.2958 297.1410 -161839.8497 -109785.0871 297.4781 94.5754 118.0055 759586.4281 -10.8457 -10.8634 PRESSURE: 4336200 -9.23383 247.158 -2.27848 247.158 221.614 48.1627 -2.27832 48.1629 145.284 GPRESSURE: 4336200 44.0733 154.791 -13.2598 121.336 241.232 5.09476 6.195 -47.0449 154.676 PRESSAVG: 4336200 12.926 25.122 0.523935 25.122 -44.282 7.72954 0.523894 7.72956 27.8878 GPRESSAVG: 4336200 12.2374 22.7633 0.0908576 26.8357 -43.4651 7.98525 -0.464141 4.39595 28.0969 TIMING: 4336200 CPU: 13712.4, 0.00316197/step Wall: 13712.4, 0.00316197/step, 0.583033 hours remaining, 236.542969 MB of memory in use. ENERGY: 4336200 3962.7671 20333.6088 14506.7478 256.7156 -203282.6127 2596.9585 0.0000 0.0000 51687.3162 -109938.4988 297.0477 -161625.8150 -109579.8975 297.5455 119.2214 146.6607 762544.8114 -1.1561 -1.0436 LDB: ============= START OF LOAD BALANCING ============== 13724.9 LDB: ============== END OF LOAD BALANCING =============== 13724.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13724.9 LDB: ============= START OF LOAD BALANCING ============== 13725.2 LDB: Largest compute 7075 load 0.037160 is 19.0% of average load 0.195562 LDB: Average compute 0.004402 is 2.3% of average load 0.195562 LDB: TIME 13725.2 LOAD: AVG 0.195562 MAX 0.213003 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.312 MB LDB: TIME 13725.2 LOAD: AVG 0.195562 MAX 0.213003 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.312 MB LDB: TIME 13725.2 LOAD: AVG 0.195562 MAX 0.213003 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.312 MB LDB: ============== END OF LOAD BALANCING =============== 13725.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13725.2 PRESSURE: 4336400 -145.547 26.4208 35.1816 26.4213 -242.482 -40.8456 35.181 -40.8458 -393.555 GPRESSURE: 4336400 -130.617 8.85615 60.9963 52.9575 -127.391 -1.23127 151.672 -96.5157 -435.876 PRESSAVG: 4336400 -18.8891 6.14602 44.5943 6.14595 -41.2978 -22.4673 44.5943 -22.4674 -0.665758 GPRESSAVG: 4336400 -18.2639 7.4497 46.564 6.15288 -41.2525 -23.4502 44.6331 -21.6789 -0.954294 TIMING: 4336400 CPU: 13713, 0.00323936/step Wall: 13713, 0.00323936/step, 0.597123 hours remaining, 235.324219 MB of memory in use. ENERGY: 4336400 3934.9537 20377.0944 14486.4233 247.1875 -203397.3795 2485.8498 0.0000 0.0000 51808.1248 -110057.7461 297.7420 -161865.8709 -109690.4685 297.7107 -260.5279 -231.2946 761961.9223 -20.2842 -20.1569 PRESSURE: 4336600 -46.3828 -111.26 -35.6327 -111.261 -6.79669 -214.103 -35.6319 -214.102 392.574 GPRESSURE: 4336600 -8.0791 -45.8635 -108.826 -163.075 114.884 -168.976 -112.27 -128.699 334.831 PRESSAVG: 4336600 38.7919 22.2386 13.3846 22.2385 17.2353 8.83936 13.3846 8.83936 5.98386 GPRESSAVG: 4336600 38.5397 22.7234 13.1636 21.0435 17.7679 9.76376 13.5589 10.0531 5.49678 TIMING: 4336600 CPU: 13713.6, 0.00318538/step Wall: 13713.6, 0.00318538/step, 0.586994 hours remaining, 235.550781 MB of memory in use. ENERGY: 4336600 3902.3513 20416.2343 14555.0434 258.5227 -203651.7070 2795.9945 0.0000 0.0000 51774.3586 -109949.2022 297.5480 -161723.5609 -109603.9222 297.7046 113.1315 147.2121 758517.9071 20.6703 20.6015 PRESSURE: 4336800 3.53673 153.283 95.6584 153.283 289.562 322.752 95.6584 322.751 -722.162 GPRESSURE: 4336800 45.426 221.369 62.0892 97.6724 318.394 254.358 91.6137 205.096 -699.356 PRESSAVG: 4336800 8.66876 -29.7731 26.4748 -29.7731 0.719228 42.8988 26.4748 42.8988 18.0268 GPRESSAVG: 4336800 8.93049 -29.2728 26.425 -28.3381 0.23285 41.5422 24.6808 44.0538 18.4637 TIMING: 4336800 CPU: 13714.3, 0.00316814/step Wall: 13714.3, 0.00316814/step, 0.583642 hours remaining, 235.550781 MB of memory in use. ENERGY: 4336800 3956.5418 20406.6874 14415.7241 236.1529 -203207.3011 2471.2021 0.0000 0.0000 51819.2407 -109901.7521 297.8059 -161720.9928 -109538.1068 298.0034 -143.0212 -111.8454 761444.5900 9.1383 9.2090 PRESSURE: 4337000 -176.274 39.7078 -2.83137 39.7078 -291.104 -109.54 -2.83141 -109.54 -118.248 GPRESSURE: 4337000 -82.2226 -43.2902 6.88909 62.6205 -271.565 -40.0179 71.493 19.3895 -152.251 PRESSAVG: 4337000 -0.155577 3.70331 20.2159 3.7033 -81.1032 -10.6833 20.2159 -10.6832 19.4434 GPRESSAVG: 4337000 0.616953 2.74895 21.005 3.20304 -81.6888 -8.6583 19.4958 -13.6829 19.4194 TIMING: 4337000 CPU: 13714.9, 0.00316778/step Wall: 13714.9, 0.00316778/step, 0.583399 hours remaining, 235.550781 MB of memory in use. ENERGY: 4337000 4014.2038 20606.4109 14427.2887 231.2987 -203399.9792 2329.7491 0.0000 0.0000 51955.0407 -109835.9874 298.5863 -161791.0281 -109480.7101 298.0757 -195.2084 -168.6795 760644.5264 -20.6051 -20.5508 PRESSURE: 4337200 -401.971 2.21864 -33.4928 2.21916 -169.127 -174.912 -33.493 -174.913 -112.009 GPRESSURE: 4337200 -265.65 -55.7676 -8.26808 -154.637 -145.739 -170.685 -41.7898 -304.172 -187.826 PRESSAVG: 4337200 38.6878 11.3057 -12.468 11.3057 -4.40034 5.66876 -12.4681 5.66872 -20.7493 GPRESSAVG: 4337200 38.0788 12.7951 -12.36 9.50875 -4.7899 4.78312 -12.0361 8.09976 -20.0749 TIMING: 4337200 CPU: 13715.5, 0.00316547/step Wall: 13715.5, 0.00316547/step, 0.582798 hours remaining, 235.550781 MB of memory in use. ENERGY: 4337200 3926.7663 20384.0925 14475.0963 242.9486 -203431.4764 2402.1436 0.0000 0.0000 51943.9981 -110056.4309 298.5229 -162000.4291 -109693.3403 297.9394 -227.7027 -199.7380 761708.9472 4.5127 4.4047 PRESSURE: 4337400 -266.273 146.842 -151.019 146.842 2.88909 175.52 -151.019 175.52 -238.008 GPRESSURE: 4337400 -139.972 86.5742 -187.527 185.431 -22.7384 150.29 -110.623 91.2247 -244.781 PRESSAVG: 4337400 -41.2172 -29.0945 -49.1929 -29.0945 -22.4894 -24.9431 -49.1929 -24.9431 -17.8803 GPRESSAVG: 4337400 -40.7446 -31.4412 -50.9722 -27.2121 -21.7795 -25.367 -47.8934 -28.8661 -18.263 TIMING: 4337400 CPU: 13716.2, 0.00315124/step Wall: 13716.2, 0.00315124/step, 0.580004 hours remaining, 235.550781 MB of memory in use. ENERGY: 4337400 3930.2299 20312.7449 14499.4414 232.0668 -203469.3003 2465.3184 0.0000 0.0000 51721.0206 -110308.4782 297.2414 -162029.4989 -109952.9674 297.9425 -167.1305 -135.8303 760082.9913 -27.1956 -26.9290 PRESSURE: 4337600 -59.738 -309.258 150.806 -309.259 164.486 61.2358 150.807 61.2353 84.387 GPRESSURE: 4337600 -80.9841 -370.899 174.871 -202.198 151.573 128.713 -4.91812 25.4422 175.698 PRESSAVG: 4337600 -53.0217 -55.7374 14.2208 -55.7374 36.516 -82.798 14.2209 -82.798 1.35205 GPRESSAVG: 4337600 -54.4437 -55.9041 13.1174 -56.1465 36.2382 -82.4062 15.335 -79.7943 2.5511 TIMING: 4337600 CPU: 13716.8, 0.00316312/step Wall: 13716.8, 0.00316312/step, 0.582014 hours remaining, 235.550781 MB of memory in use. ENERGY: 4337600 3882.9578 20411.5239 14439.2853 236.2400 -203207.2947 2505.9561 0.0000 0.0000 51553.8881 -110177.4435 296.2809 -161731.3316 -109817.4053 297.4543 63.0449 82.0955 760731.3828 -5.0512 -5.2181 PRESSURE: 4337800 -195.347 -121.958 -228.689 -121.957 -475.818 -35.6809 -228.69 -35.6806 -263.759 GPRESSURE: 4337800 -64.4162 -12.719 -235.758 -119.967 -495.232 -9.19246 -271.289 -19.1298 -274.913 PRESSAVG: 4337800 7.65431 -18.8605 -53.1994 -18.8605 28.6806 -28.9228 -53.1994 -28.9228 27.5544 GPRESSAVG: 4337800 8.94217 -17.1518 -51.9117 -20.0543 28.6141 -28.9031 -55.0706 -30.1931 26.7264 TIMING: 4337800 CPU: 13717.4, 0.00319717/step Wall: 13717.4, 0.00319717/step, 0.588102 hours remaining, 235.550781 MB of memory in use. ENERGY: 4337800 4028.4508 20306.9240 14420.1957 243.2202 -203456.8208 2511.0328 0.0000 0.0000 51830.6650 -110116.3324 297.8715 -161946.9974 -109759.7563 297.2476 -311.6413 -278.1873 759961.9786 21.2965 21.4275 PRESSURE: 4338000 68.5455 231.295 109.235 231.295 -90.5126 -218.455 109.236 -218.456 -137.545 GPRESSURE: 4338000 50.8766 264.905 -0.408544 190.897 68.3274 -181.752 146.235 -185.814 -180.376 PRESSAVG: 4338000 -3.60905 18.9041 7.99879 18.9041 33.9083 -13.9416 7.99878 -13.9415 -6.34135 GPRESSAVG: 4338000 -3.20668 15.4796 8.07505 20.861 34.2065 -12.8636 8.92662 -14.6954 -6.88595 TIMING: 4338000 CPU: 13718.1, 0.00319964/step Wall: 13718.1, 0.00319964/step, 0.588378 hours remaining, 235.550781 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: 4338000 3964.8836 20465.5339 14536.9125 243.5088 -203403.7511 2563.7569 0.0000 0.0000 51657.2133 -109971.9421 296.8747 -161629.1554 -109599.6537 298.2384 -53.1708 -20.3905 760058.9109 7.9860 8.0380 PRESSURE: 4338200 0.639134 151.146 125.608 151.145 273.057 -137.385 125.608 -137.385 8.33059 GPRESSURE: 4338200 58.0989 132.199 134.313 125.071 296.879 -139.322 80.0672 73.0913 6.696 PRESSAVG: 4338200 -0.815708 15.2816 40.3976 15.2816 4.38586 -31.8186 40.3977 -31.8186 19.8756 GPRESSAVG: 4338200 -1.35775 18.212 39.8885 15.7687 2.91302 -33.7368 41.0741 -29.3639 20.3417 TIMING: 4338200 CPU: 13718.7, 0.00320664/step Wall: 13718.7, 0.00320664/step, 0.589488 hours remaining, 235.550781 MB of memory in use. ENERGY: 4338200 3891.0893 20421.2022 14366.1666 247.2221 -203830.8262 2796.2012 0.0000 0.0000 52097.1685 -110011.7763 299.4031 -162108.9448 -109652.0392 298.2506 94.0089 120.5580 759502.4929 7.8152 7.2990 PRESSURE: 4338400 -203.844 -168.72 164.531 -168.719 -248.41 -127.389 164.531 -127.388 -281.13 GPRESSURE: 4338400 -149.474 -104.54 114.94 -106.355 -220.737 -84.3458 89.0218 -53.8202 -271.595 PRESSAVG: 4338400 11.5867 11.7874 -30.6956 11.7875 -13.4527 -9.82373 -30.6956 -9.82368 7.81138 GPRESSAVG: 4338400 11.3102 9.58372 -32.3121 11.3571 -13.0313 -9.35486 -28.6075 -10.9354 6.94852 TIMING: 4338400 CPU: 13719.4, 0.00319185/step Wall: 13719.4, 0.00319185/step, 0.58659 hours remaining, 235.550781 MB of memory in use. ENERGY: 4338400 3977.3570 20345.2546 14465.3797 233.2075 -203640.9703 2506.4012 0.0000 0.0000 52036.3868 -110076.9836 299.0538 -162113.3703 -109723.2087 298.5191 -244.4614 -213.9355 760834.9583 1.9818 1.7425 PRESSURE: 4338600 -6.55126 152.248 78.7083 152.247 41.9978 -405.296 78.7074 -405.296 453.815 GPRESSURE: 4338600 -10.7976 173.641 49.9096 161.813 93.8844 -357.724 50.5009 -377.969 487.063 PRESSAVG: 4338600 -7.41903 39.4569 2.01269 39.457 21.8868 -65.9461 2.01268 -65.9461 6.35756 GPRESSAVG: 4338600 -7.82031 43.6487 3.81817 37.5686 22.4501 -64.9973 0.29837 -66.3618 6.01056 TIMING: 4338600 CPU: 13720, 0.0031989/step Wall: 13720, 0.0031989/step, 0.58771 hours remaining, 235.550781 MB of memory in use. ENERGY: 4338600 4063.2300 20447.6815 14360.0053 236.1184 -203585.5646 2561.0812 0.0000 0.0000 51964.2873 -109953.1609 298.6395 -161917.4482 -109596.1765 298.0580 163.0873 190.0500 760158.4811 6.9418 6.8801 PRESSURE: 4338800 215.582 -9.95841 -24.2416 -9.95895 314.595 64.191 -24.2423 64.192 137.661 GPRESSURE: 4338800 294.298 132.295 -82.941 -20.0731 324.67 19.5338 86.6345 147.319 123.98 PRESSAVG: 4338800 34.4265 3.26157 -9.65559 3.26152 -32.6211 -30.0719 -9.65563 -30.0719 -4.84874 GPRESSAVG: 4338800 34.8644 2.29154 -10.6068 3.64649 -35.1177 -30.8092 -9.05275 -28.3001 -3.40402 TIMING: 4338800 CPU: 13720.6, 0.00320566/step Wall: 13720.6, 0.00320566/step, 0.588773 hours remaining, 235.550781 MB of memory in use. ENERGY: 4338800 3981.3415 20330.9499 14511.7410 256.3584 -204137.6743 3180.1219 0.0000 0.0000 51926.2539 -109950.9078 298.4209 -161877.1617 -109591.7141 298.0854 222.6126 247.6491 760402.4021 -1.0144 -1.2191 PRESSURE: 4339000 -314.006 129.427 113.482 129.427 240.48 -4.48315 113.482 -4.48337 -9.96844 GPRESSURE: 4339000 -276.741 163.724 98.9799 120.121 247.556 -55.4322 1.93129 -92.0051 32.5241 PRESSAVG: 4339000 -24.0719 -4.3602 -18.0466 -4.36016 41.5472 11.5443 -18.0465 11.5444 13.7418 GPRESSAVG: 4339000 -25.8484 -6.09053 -16.6182 -4.22088 43.153 11.6202 -20.0332 11.151 14.1514 TIMING: 4339000 CPU: 13721.3, 0.00318014/step Wall: 13721.3, 0.00318014/step, 0.58391 hours remaining, 235.550781 MB of memory in use. ENERGY: 4339000 3974.1989 20372.7192 14475.8709 252.4273 -203110.0290 2305.9090 0.0000 0.0000 51838.6074 -109890.2963 297.9172 -161728.9037 -109534.9474 298.3889 -27.8317 1.1132 760593.9885 10.4057 10.4853 PRESSURE: 4339200 -69.0257 -28.5281 -108.411 -28.5285 81.769 16.6251 -108.412 16.625 132.741 GPRESSURE: 4339200 -20.8315 -88.8926 -129.602 -19.6097 128.645 91.2016 -119.043 -52.6788 145.127 PRESSAVG: 4339200 18.4577 55.215 -15.3514 55.215 -9.56678 -14.8066 -15.3514 -14.8066 -3.51155 GPRESSAVG: 4339200 20.2965 55.5865 -15.1948 55.9675 -10.3936 -15.8324 -14.8858 -15.3311 -4.45771 TIMING: 4339200 CPU: 13721.9, 0.0031488/step Wall: 13721.9, 0.0031488/step, 0.57798 hours remaining, 235.550781 MB of memory in use. ENERGY: 4339200 3964.9476 20457.3720 14440.2535 227.5490 -203602.6139 2739.8024 0.0000 0.0000 51930.5878 -109842.1017 298.4458 -161772.6895 -109481.6758 298.5494 48.4947 84.3138 760122.8832 1.7931 1.8151 PRESSURE: 4339400 -205.25 -37.8164 -69.5963 -37.8161 -140.1 -168.781 -69.5969 -168.783 -63.9044 GPRESSURE: 4339400 -275.471 -30.3989 -24.0394 -8.85325 -30.1175 -185.797 51.0799 -84.387 -19.4026 PRESSAVG: 4339400 8.0344 22.6977 -4.49479 22.6977 -32.5094 -10.7757 -4.49479 -10.7757 -11.0131 GPRESSAVG: 4339400 8.44744 23.8243 -4.75223 21.8514 -30.9497 -10.0363 -3.89067 -10.8305 -13.1796 TIMING: 4339400 CPU: 13722.5, 0.00318111/step Wall: 13722.5, 0.00318111/step, 0.583733 hours remaining, 235.550781 MB of memory in use. ENERGY: 4339400 3963.1381 20491.2337 14452.6147 229.2898 -202956.8469 2400.6973 0.0000 0.0000 52036.9806 -109382.8927 299.0572 -161419.8733 -109025.8134 298.5341 -136.4181 -108.3304 762548.0647 -11.8294 -11.8939 PRESSURE: 4339600 -170.328 20.1778 -59.6708 20.1783 104.399 -177.326 -59.6698 -177.325 -272.792 GPRESSURE: 4339600 -154.224 -72.4301 -148.541 -60.3769 189.425 -197.585 -32.9064 -75.8174 -278.985 PRESSAVG: 4339600 -31.9507 8.54114 -7.98159 8.5411 41.5284 -44.8984 -7.98152 -44.8984 3.48218 GPRESSAVG: 4339600 -33.3293 6.35287 -8.21454 10.1412 40.8854 -45.9045 -7.75404 -43.6631 5.22055 TIMING: 4339600 CPU: 13723.2, 0.00316391/step Wall: 13723.2, 0.00316391/step, 0.580402 hours remaining, 235.550781 MB of memory in use. ENERGY: 4339600 4019.4835 20587.7660 14475.8891 262.3982 -203055.9202 2501.2917 0.0000 0.0000 52078.7041 -109130.3876 299.2970 -161209.0917 -108768.8021 299.4611 -112.9071 -81.2613 760279.9037 4.3533 4.2589 PRESSURE: 4339800 58.756 111.842 256.739 111.841 269.528 -6.18676 256.74 -6.18626 -535.958 GPRESSURE: 4339800 -43.8219 85.2466 214.968 49.4562 311.416 16.0052 82.9657 108.656 -401.8 PRESSAVG: 4339800 -35.3457 26.0711 18.8412 26.0711 78.8793 -10.8185 18.8412 -10.8184 19.6283 GPRESSAVG: 4339800 -34.9357 25.5935 19.9229 25.2308 78.5279 -10.3508 16.0112 -11.3582 20.0946 TIMING: 4339800 CPU: 13723.8, 0.00319156/step Wall: 13723.8, 0.00319156/step, 0.585296 hours remaining, 235.550781 MB of memory in use. ENERGY: 4339800 4078.8766 20655.9841 14480.3064 245.2172 -203008.8094 2374.8578 0.0000 0.0000 52091.4909 -109082.0764 299.3705 -161173.5673 -108727.0268 299.9316 -69.2247 -44.7353 762081.6980 21.0540 21.2289 PRESSURE: 4340000 169.507 -59.6675 6.06046 -59.6679 19.3552 -83.9305 6.06065 -83.931 256.806 GPRESSURE: 4340000 255.553 -51.7051 38.104 -157.387 14.9211 -141.742 101.76 31.5045 244.839 PRESSAVG: 4340000 -78.1761 20.5416 53.046 20.5415 75.4903 36.0043 53.046 36.0044 -24.3442 GPRESSAVG: 4340000 -78.3074 20.8228 50.5077 19.9739 76.0825 35.725 55.8108 36.3027 -25.5744 TIMING: 4340000 CPU: 13724.5, 0.00319318/step Wall: 13724.5, 0.00319318/step, 0.585416 hours remaining, 235.550781 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: 4340000 3971.8797 20626.1076 14534.3992 248.7797 -203154.5567 2524.8766 0.0000 0.0000 51975.5119 -109273.0021 298.7040 -161248.5140 -108913.5182 299.9592 148.5564 171.7712 762146.9787 -9.0100 -9.2664 PRESSURE: 4340200 -105.566 104.789 -89.2854 104.79 92.9662 93.7175 -89.2861 93.7173 -100.781 GPRESSURE: 4340200 -77.1391 85.8307 -87.8422 79.5407 189.151 60.021 -235.982 97.7666 -131.799 PRESSAVG: 4340200 -61.2296 -11.8111 2.38016 -11.8111 41.9804 -29.6258 2.38014 -29.6258 8.93461 GPRESSAVG: 4340200 -61.8678 -11.0675 3.93034 -11.3062 41.4085 -29.0282 -0.973636 -30.2343 9.99701 TIMING: 4340200 CPU: 13725.1, 0.00316984/step Wall: 13725.1, 0.00316984/step, 0.580962 hours remaining, 235.753906 MB of memory in use. ENERGY: 4340200 4087.1696 20425.6287 14468.5303 248.4599 -203775.4005 3018.3454 0.0000 0.0000 52316.6710 -109210.5957 300.6646 -161527.2667 -108843.7152 299.9024 -37.7938 -6.5955 762732.6033 -3.4382 -3.4874 LDB: ============= START OF LOAD BALANCING ============== 13737.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13737.6 LDB: =============== DONE WITH MIGRATION ================ 13737.6 LDB: ============= START OF LOAD BALANCING ============== 13737.9 LDB: Largest compute 7075 load 0.037333 is 19.1% of average load 0.195645 LDB: Average compute 0.004367 is 2.2% of average load 0.195645 LDB: TIME 13737.9 LOAD: AVG 0.195645 MAX 0.215062 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.391 MB LDB: TIME 13737.9 LOAD: AVG 0.195645 MAX 0.215062 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: TIME 13737.9 LOAD: AVG 0.195645 MAX 0.215062 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.391 MB LDB: ============== END OF LOAD BALANCING =============== 13737.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13738 PRESSURE: 4340400 272.342 -71.8925 55.6448 -71.8925 49.9148 8.87294 55.6448 8.87271 83.9223 GPRESSURE: 4340400 244.538 45.3402 13.3502 -215.953 93.1439 -91.9915 48.5727 28.2578 158.347 PRESSAVG: 4340400 -67.0193 -9.06529 -19.3292 -9.06531 58.0568 -49.3749 -19.3292 -49.3749 5.54791 GPRESSAVG: 4340400 -67.3516 -9.00937 -20.6687 -10.2934 59.3934 -51.3835 -18.4986 -49.8539 4.68163 TIMING: 4340400 CPU: 13725.7, 0.0032422/step Wall: 13725.7, 0.0032422/step, 0.594043 hours remaining, 236.996094 MB of memory in use. ENERGY: 4340400 3994.0103 20418.5738 14498.1347 243.0195 -203484.1981 2568.0763 0.0000 0.0000 52280.6069 -109481.7765 300.4574 -161762.3834 -109106.2946 299.2356 135.3932 165.3429 762049.5545 -1.1382 -1.0922 PRESSURE: 4340600 -52.0687 -147.676 124.699 -147.677 -341.223 22.5922 124.7 22.5917 -184.569 GPRESSURE: 4340600 -32.0743 -191.525 158.333 -75.9914 -203.979 5.31908 11.6145 49.5719 -267.279 PRESSAVG: 4340600 -25.4764 -44.2957 26.6975 -44.2957 45.4306 17.8425 26.6974 17.8425 2.16469 GPRESSAVG: 4340600 -24.3444 -44.3433 28.2695 -42.4168 43.9323 21.2155 28.3389 17.8135 2.63014 TIMING: 4340600 CPU: 13726.4, 0.00316792/step Wall: 13726.4, 0.00316792/step, 0.580257 hours remaining, 237.199219 MB of memory in use. ENERGY: 4340600 3997.8613 20523.0705 14548.2112 255.0979 -203485.0564 2727.6684 0.0000 0.0000 52099.5278 -109333.6192 299.4167 -161433.1471 -108967.3991 299.0182 -192.6204 -167.7776 762823.7681 7.3730 7.4060 PRESSURE: 4340800 185.412 -175.593 122.703 -175.593 75.157 -281.029 122.704 -281.029 198.748 GPRESSURE: 4340800 210.985 -104.859 131.963 -130.528 110.94 -342.485 34.0803 -349.711 211.306 PRESSAVG: 4340800 -40.4542 -96.6911 50.4084 -96.6911 31.283 -55.2029 50.4084 -55.2028 1.81499 GPRESSAVG: 4340800 -42.1105 -98.3427 49.7339 -96.8667 31.236 -55.9534 50.7462 -57.0953 3.5986 TIMING: 4340800 CPU: 13727, 0.00316396/step Wall: 13727, 0.00316396/step, 0.579356 hours remaining, 237.199219 MB of memory in use. ENERGY: 4340800 4021.6092 20487.5111 14578.7966 227.6445 -202908.2184 2384.1809 0.0000 0.0000 51978.0080 -109230.4682 298.7183 -161208.4762 -108871.0882 299.2334 153.1057 177.7437 763531.5731 -2.4521 -2.4253 PRESSURE: 4341000 132.023 145.322 -34.1578 145.321 430.525 -24.2957 -34.1579 -24.2963 -560.753 GPRESSURE: 4341000 240.573 98.0821 79.5606 70.5135 326.102 52.7104 -61.129 -41.7421 -476.142 PRESSAVG: 4341000 -6.16118 -49.2101 -22.6526 -49.2101 2.69798 22.6018 -22.6527 22.6019 10.5741 GPRESSAVG: 4341000 -5.44535 -48.7938 -22.1598 -50.7239 2.37692 21.0787 -21.9951 23.7544 9.77596 TIMING: 4341000 CPU: 13727.6, 0.00317111/step Wall: 13727.6, 0.00317111/step, 0.580489 hours remaining, 237.199219 MB of memory in use. ENERGY: 4341000 4031.2144 20582.8411 14477.7578 276.3624 -203295.3166 2813.0425 0.0000 0.0000 51772.7387 -109341.3597 297.5386 -161114.0984 -108993.4501 299.0956 0.5980 30.1777 761960.7514 2.3703 2.2358 PRESSURE: 4341200 177.024 -28.8667 36.6193 -28.8663 104.415 52.8993 36.6194 52.8997 -53.9668 GPRESSURE: 4341200 205.729 -23.858 -45.8395 120.944 214.63 38.5807 76.4001 172.303 -86.4907 PRESSAVG: 4341200 -19.4548 -18.5269 -16.6502 -18.527 34.794 -8.65874 -16.6502 -8.65876 25.3654 GPRESSAVG: 4341200 -20.2489 -16.344 -18.8839 -15.794 36.067 -8.85306 -16.7857 -8.20901 25.0854 TIMING: 4341200 CPU: 13728.3, 0.0031596/step Wall: 13728.3, 0.0031596/step, 0.578207 hours remaining, 237.199219 MB of memory in use. ENERGY: 4341200 3985.8702 20533.5783 14492.3826 234.6562 -203271.4728 2718.4460 0.0000 0.0000 51988.2632 -109318.2764 298.7773 -161306.5396 -108958.6692 299.0142 75.8242 111.2895 762321.4981 13.5682 13.6345 PRESSURE: 4341400 -470.639 129.423 173.328 129.424 38.5291 -38.8548 173.327 -38.8545 -178.656 GPRESSURE: 4341400 -422.573 110.069 182.439 57.1906 58.4557 -46.188 104.702 -9.26984 -167.166 PRESSAVG: 4341400 -42.2519 5.42968 20.3359 5.42963 25.4036 13.3118 20.3358 13.3118 3.26221 GPRESSAVG: 4341400 -42.8992 5.09266 23.5801 3.5994 25.8794 12.9281 18.0322 14.4565 3.07288 TIMING: 4341400 CPU: 13728.9, 0.00314954/step Wall: 13728.9, 0.00314954/step, 0.576191 hours remaining, 237.199219 MB of memory in use. ENERGY: 4341400 3960.5983 20618.1302 14507.6732 253.5718 -202888.0209 2125.1816 0.0000 0.0000 52049.2191 -109373.6467 299.1276 -161422.8658 -109013.4497 299.6828 -203.5885 -177.0945 762535.9907 -4.5287 -4.6490 PRESSURE: 4341600 65.9844 28.1297 -78.5675 28.1293 170.29 -149.125 -78.5666 -149.125 198.115 GPRESSURE: 4341600 82.9327 -42.0726 -57.1499 -9.90497 183.268 -119.484 -33.4322 -136.686 263.727 PRESSAVG: 4341600 -36.3859 -11.9766 -15.5005 -11.9767 20.3659 6.04979 -15.5005 6.04976 4.61245 GPRESSAVG: 4341600 -34.9644 -11.6593 -17.5571 -12.2085 19.5312 6.76693 -14.7855 3.72684 3.84287 TIMING: 4341600 CPU: 13729.5, 0.00316101/step Wall: 13729.5, 0.00316101/step, 0.578114 hours remaining, 237.199219 MB of memory in use. ENERGY: 4341600 3988.2138 20630.3674 14431.5361 259.5426 -203489.9096 2709.7322 0.0000 0.0000 52119.2045 -109351.3130 299.5298 -161470.5175 -108989.9379 299.1724 144.7965 176.6426 760899.5560 -3.8025 -3.8634 PRESSURE: 4341800 -209.14 -163.31 -142.529 -163.31 71.7007 -33.1801 -142.529 -33.1803 345.052 GPRESSURE: 4341800 -138.624 -138.901 -77.941 -164.704 93.7894 1.64086 9.81088 -18.1409 366.571 PRESSAVG: 4341800 -7.1909 -5.59821 -9.98345 -5.59826 40.8193 -36.5905 -9.98341 -36.5905 2.05845 GPRESSAVG: 4341800 -7.48001 -5.66964 -8.82734 -5.81963 40.3376 -35.4077 -8.79318 -36.3173 2.72544 TIMING: 4341800 CPU: 13730.2, 0.00317297/step Wall: 13730.2, 0.00317297/step, 0.580125 hours remaining, 237.199219 MB of memory in use. ENERGY: 4341800 4035.1597 20818.5132 14460.4980 253.1274 -203780.0173 2890.3086 0.0000 0.0000 52051.9129 -109270.4975 299.1431 -161322.4105 -108914.7632 299.8061 69.2044 107.2456 760424.6941 11.8956 11.8610 PRESSURE: 4342000 -179.454 153.537 165.346 153.538 17.2072 -294.178 165.345 -294.179 -174.328 GPRESSURE: 4342000 -78.1206 149.699 47.0908 225.442 25.8452 -297.596 71.5535 -316.055 -220.108 PRESSAVG: 4342000 -56.7428 2.95801 -26.297 2.95799 33.2702 -76.6624 -26.2969 -76.6624 -6.44663 GPRESSAVG: 4342000 -56.3931 2.71841 -26.4294 1.25419 33.7889 -76.9335 -26.5437 -76.7457 -6.92704 TIMING: 4342000 CPU: 13730.8, 0.00317405/step Wall: 13730.8, 0.00317405/step, 0.580145 hours remaining, 237.199219 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: 4342000 4048.6580 20582.4687 14534.1010 266.1237 -203315.1751 2417.9289 0.0000 0.0000 52090.1576 -109375.7374 299.3629 -161465.8949 -109013.7300 299.6170 -112.1917 -90.7945 761295.1255 -9.9731 -9.8437 PRESSURE: 4342200 -12.7601 15.2738 -2.97176 15.2732 -95.9474 218.832 -2.97177 218.833 288.143 GPRESSURE: 4342200 -46.5068 152.748 -7.13922 -11.6707 12.9443 217.895 51.9689 100.661 293.979 PRESSAVG: 4342200 2.51428 -4.81931 12.4159 -4.81927 -13.047 -28.9657 12.4158 -28.9658 4.41402 GPRESSAVG: 4342200 0.969141 -3.84913 11.3991 -3.79507 -12.3322 -29.7061 13.5918 -28.7268 4.86237 TIMING: 4342200 CPU: 13731.4, 0.00317954/step Wall: 13731.4, 0.00317954/step, 0.580973 hours remaining, 237.199219 MB of memory in use. ENERGY: 4342200 3972.4337 20725.9632 14588.5801 246.3024 -203575.5506 2710.7186 0.0000 0.0000 52217.4175 -109114.1350 300.0942 -161331.5525 -108743.7458 299.5770 59.8118 86.8056 760743.2142 -2.0396 -2.1669 PRESSURE: 4342400 -303.396 124.032 12.0103 124.032 -480.323 210.101 12.0098 210.101 -102.164 GPRESSURE: 4342400 -294.3 56.7959 -15.2172 158.374 -389.465 267.962 80.2051 55.4273 -91.3324 PRESSAVG: 4342400 -67.2607 1.365 -31.9141 1.36509 28.375 -11.2912 -31.9141 -11.2913 16.7003 GPRESSAVG: 4342400 -65.1923 1.16856 -32.2378 2.02058 27.975 -12.359 -31.2793 -10.6232 15.0618 TIMING: 4342400 CPU: 13732.1, 0.00315848/step Wall: 13732.1, 0.00315848/step, 0.57695 hours remaining, 237.199219 MB of memory in use. ENERGY: 4342400 3963.9117 20469.0466 14521.8947 249.3521 -203234.0535 2583.8611 0.0000 0.0000 52300.6519 -109145.3353 300.5726 -161445.9872 -108777.7300 299.8107 -295.2944 -258.3659 763341.0057 -7.3952 -7.3852 PRESSURE: 4342600 2.62894 23.4068 154.839 23.4067 20.6896 -17.6969 154.839 -17.6961 283.517 GPRESSURE: 4342600 61.8414 -2.59059 153.016 -84.3581 34.2629 -82.2147 61.1084 40.9597 308.421 PRESSAVG: 4342600 -17.6317 -22.8341 -15.6825 -22.8341 1.54267 -4.411 -15.6825 -4.41099 3.14353 GPRESSAVG: 4342600 -18.0246 -24.2744 -15.7886 -22.377 0.438832 -3.41234 -17.761 -5.52551 4.58328 TIMING: 4342600 CPU: 13732.7, 0.00316818/step Wall: 13732.7, 0.00316818/step, 0.578544 hours remaining, 237.199219 MB of memory in use. ENERGY: 4342600 3961.4879 20473.9078 14495.7849 249.9765 -203130.7696 2697.6559 0.0000 0.0000 51896.3209 -109355.6355 298.2489 -161251.9565 -108997.3325 299.7225 102.2786 134.8418 760831.8213 -4.3152 -4.3342 PRESSURE: 4342800 -149.615 -96.9024 -165.162 -96.9028 27.3805 -159.337 -165.163 -159.337 239.067 GPRESSURE: 4342800 -115.017 -40.6586 -126.822 -66.796 66.4952 -96.26 -111.31 -96.8759 233.251 PRESSAVG: 4342800 -8.30362 -36.1299 -44.5157 -36.1298 71.1322 3.52975 -44.5158 3.52972 5.26814 GPRESSAVG: 4342800 -8.91892 -36.3919 -43.614 -36.7909 72.4654 3.26433 -42.3061 3.73807 4.28632 TIMING: 4342800 CPU: 13733.3, 0.00315635/step Wall: 13733.3, 0.00315635/step, 0.576209 hours remaining, 237.199219 MB of memory in use. ENERGY: 4342800 4064.2174 20487.4381 14553.6392 269.6021 -203206.5326 2540.7437 0.0000 0.0000 51952.0134 -109338.8786 298.5689 -161290.8921 -108981.6067 299.1175 38.9441 61.5761 759343.2829 22.6989 22.6109 PRESSURE: 4343000 -184.915 243.904 -111.033 243.904 -131.292 7.94033 -111.032 7.93989 166.091 GPRESSURE: 4343000 -148.486 320.873 -109.219 190.791 -85.3647 49.6223 -71.7713 -100.379 167.563 PRESSAVG: 4343000 -82.832 -44.4074 -30.2897 -44.4074 77.7051 -15.9083 -30.2896 -15.9083 -3.17666 GPRESSAVG: 4343000 -82.2395 -42.0214 -30.1702 -45.7971 77.1133 -15.363 -32.4158 -15.5532 -2.58728 TIMING: 4343000 CPU: 13734, 0.00316949/step Wall: 13734, 0.00316949/step, 0.578432 hours remaining, 237.199219 MB of memory in use. ENERGY: 4343000 3970.6734 20534.9665 14595.8892 264.6140 -203037.0691 2355.0834 0.0000 0.0000 52105.1351 -109210.7074 299.4489 -161315.8426 -108851.0117 299.3863 -50.0386 -22.0958 761254.9478 -2.7678 -2.5712 PRESSURE: 4343200 -187.05 48.7974 -67.3061 48.7976 67.497 -1.66948 -67.3063 -1.6686 -345.762 GPRESSURE: 4343200 -108.976 52.0946 -25.7887 52.02 64.0378 16.0426 -24.5046 66.1441 -334.086 PRESSAVG: 4343200 -72.1551 -22.0861 35.56 -22.0861 42.2407 11.0556 35.5602 11.0555 -9.30051 GPRESSAVG: 4343200 -73.6188 -25.9451 34.3678 -19.7392 43.3173 8.77478 36.5011 11.4372 -8.93342 TIMING: 4343200 CPU: 13734.6, 0.00316122/step Wall: 13734.6, 0.00316122/step, 0.576748 hours remaining, 237.199219 MB of memory in use. ENERGY: 4343200 3919.8574 20507.5950 14470.9312 248.2414 -203385.6319 2584.6683 0.0000 0.0000 52133.5711 -109520.7675 299.6123 -161654.3386 -109145.5665 298.9739 -155.1052 -126.3415 762232.8445 -13.0717 -13.0783 PRESSURE: 4343400 -65.8278 25.8615 44.6725 25.863 110.166 83.4236 44.6728 83.4229 -17.5686 GPRESSURE: 4343400 32.5663 17.2154 23.0788 134.141 118.92 46.7269 59.5521 139.942 -67.511 PRESSAVG: 4343400 -25.0003 27.61 -54.8685 27.6101 8.39372 12.2563 -54.8685 12.2562 -6.07512 GPRESSAVG: 4343400 -24.2156 30.0705 -54.7975 26.7755 7.68074 13.6722 -53.7787 12.206 -6.06933 TIMING: 4343400 CPU: 13735.2, 0.00316718/step Wall: 13735.2, 0.00316718/step, 0.577659 hours remaining, 237.199219 MB of memory in use. ENERGY: 4343400 4019.7243 20411.8614 14562.4121 259.2911 -203294.2436 2384.1076 0.0000 0.0000 52122.4537 -109534.3936 299.5485 -161656.8472 -109159.3867 298.6736 8.9232 27.9919 760694.8461 -7.5606 -7.5347 PRESSURE: 4343600 -152.048 -148.108 92.8609 -148.108 -76.4184 110.996 92.8606 110.998 420.26 GPRESSURE: 4343600 -88.3051 -229.196 -11.4122 -192.831 33.1221 148.433 177.432 105.168 330.587 PRESSAVG: 4343600 -14.1313 -12.8944 13.1638 -12.8943 5.00759 21.5353 13.1638 21.5353 -14.2953 GPRESSAVG: 4343600 -13.8367 -13.6218 12.9726 -13.0264 5.67643 22.3271 12.1314 21.384 -15.3395 TIMING: 4343600 CPU: 13735.9, 0.00317013/step Wall: 13735.9, 0.00317012/step, 0.578019 hours remaining, 237.199219 MB of memory in use. ENERGY: 4343600 4031.9449 20493.6147 14475.4050 244.4708 -203839.9685 3032.5502 0.0000 0.0000 52059.5382 -109502.4445 299.1869 -161561.9828 -109140.2513 298.6506 63.9312 91.8013 762795.8009 -7.8064 -7.8333 PRESSURE: 4343800 -84.2454 101.786 -6.67526 101.786 202.414 32.935 -6.6758 32.9353 134.248 GPRESSURE: 4343800 -34.2799 89.4169 27.6401 157.194 201.361 42.0496 38.2766 30.5792 187.401 PRESSAVG: 4343800 -37.5606 11.1795 56.0179 11.1795 54.2282 -4.30841 56.0179 -4.30842 2.7349 GPRESSAVG: 4343800 -37.4468 13.0005 56.2601 10.9541 53.8871 -5.81247 56.5882 -3.67649 2.91478 TIMING: 4343800 CPU: 13736.5, 0.00319533/step Wall: 13736.5, 0.00319533/step, 0.582438 hours remaining, 237.199219 MB of memory in use. ENERGY: 4343800 4011.1224 20435.1019 14459.5788 233.6753 -203694.7256 2755.4813 0.0000 0.0000 52240.4103 -109559.3557 300.2264 -161799.7660 -109203.2575 298.9004 84.1390 118.1606 760508.9928 6.4675 6.4517 PRESSURE: 4344000 -139.008 81.6968 306.002 81.6965 -58.7422 224.158 306.002 224.158 -185.373 GPRESSURE: 4344000 -164.41 21.0687 199.432 85.9451 13.1278 259.483 286.201 154.977 -160.739 PRESSAVG: 4344000 -16.1699 12.0679 12.7297 12.0679 23.8131 54.1886 12.7297 54.1887 2.68906 GPRESSAVG: 4344000 -17.2748 10.702 12.3242 10.6437 24.7436 57.1946 11.471 50.773 2.70561 TIMING: 4344000 CPU: 13737.1, 0.00317246/step Wall: 13737.1, 0.00317246/step, 0.578092 hours remaining, 237.199219 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: 4344000 4012.5886 20453.1167 14483.1355 252.8763 -203712.0431 2848.0768 0.0000 0.0000 52053.8965 -109608.3526 299.1545 -161662.2491 -109251.1341 298.6809 -127.7076 -104.0071 763483.6575 3.4441 3.3915 PRESSURE: 4344200 -12.7915 197.762 97.6466 197.762 14.2371 130.893 97.6475 130.894 -82.4226 GPRESSURE: 4344200 29.6215 133.603 108.784 214.614 55.6562 86.4903 117.846 16.5271 -73.9074 PRESSAVG: 4344200 -5.4537 12.8612 25.8436 12.8611 19.6182 11.6516 25.8436 11.6516 -15.122 GPRESSAVG: 4344200 -4.04996 12.6842 26.7104 15.2665 18.404 9.49151 26.7174 12.955 -15.4343 TIMING: 4344200 CPU: 13737.8, 0.0031667/step Wall: 13737.8, 0.0031667/step, 0.576868 hours remaining, 237.199219 MB of memory in use. ENERGY: 4344200 4029.6514 20533.8592 14542.6246 240.9895 -203847.0128 2869.5483 0.0000 0.0000 51933.5912 -109696.7486 298.4631 -161630.3399 -109338.3558 298.6728 -26.9923 3.7901 761713.4050 -0.3192 -0.3601 LDB: ============= START OF LOAD BALANCING ============== 13750.3 LDB: ============== END OF LOAD BALANCING =============== 13750.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13750.3 LDB: ============= START OF LOAD BALANCING ============== 13750.6 LDB: Largest compute 7075 load 0.034352 is 17.6% of average load 0.195536 LDB: Average compute 0.004396 is 2.2% of average load 0.195536 LDB: TIME 13750.6 LOAD: AVG 0.195536 MAX 0.2154 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.211 MB LDB: TIME 13750.6 LOAD: AVG 0.195536 MAX 0.2154 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: TIME 13750.6 LOAD: AVG 0.195536 MAX 0.2154 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: ============== END OF LOAD BALANCING =============== 13750.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13750.6 PRESSURE: 4344400 186.522 -89.2816 139.426 -89.2821 73.5542 -327.134 139.426 -327.134 37.0606 GPRESSURE: 4344400 228.328 -144.12 77.127 -151.585 97.6224 -333.064 141.266 -274.318 80.852 PRESSAVG: 4344400 9.59583 28.8329 6.54652 28.8329 4.3764 -51.5733 6.54659 -51.5733 -13.9186 GPRESSAVG: 4344400 9.27012 30.3632 4.97974 30.5067 5.20451 -50.9385 8.02579 -50.6689 -13.7659 TIMING: 4344400 CPU: 13738.4, 0.00322535/step Wall: 13738.4, 0.00322535/step, 0.587371 hours remaining, 235.703125 MB of memory in use. ENERGY: 4344400 4061.8404 20482.2825 14521.0894 252.7700 -204141.5257 3179.2170 0.0000 0.0000 51873.6724 -109770.6541 298.1187 -161644.3265 -109419.8622 298.6255 99.0455 135.6009 759837.1880 0.0179 0.2363 PRESSURE: 4344600 -110.151 -56.6933 -12.9333 -56.6929 126.058 -110.952 -12.9334 -110.952 18.4403 GPRESSURE: 4344600 -28.117 -39.6072 4.51416 -82.2897 102.468 -214.488 46.2427 7.37474 47.5432 PRESSAVG: 4344600 -0.377763 -12.9207 35.8251 -12.9207 -18.6547 -1.29477 35.8251 -1.29474 2.6929 GPRESSAVG: 4344600 -0.114894 -14.2284 37.3957 -15.5609 -20.152 -2.16062 35.9929 -0.553911 3.94505 TIMING: 4344600 CPU: 13739.1, 0.00316368/step Wall: 13739.1, 0.00316368/step, 0.575966 hours remaining, 235.738281 MB of memory in use. ENERGY: 4344600 3946.9398 20406.0973 14551.2751 254.7523 -203675.5666 2700.2723 0.0000 0.0000 51933.2738 -109882.9560 298.4612 -161816.2298 -109510.9771 298.6689 11.4490 40.6314 759979.2011 -5.4465 -5.4406 PRESSURE: 4344800 -217.65 47.7091 232.041 47.7084 163.414 -55.7933 232.041 -55.7938 163.26 GPRESSURE: 4344800 -142.125 90.9898 187.464 45.5158 183.036 -38.3024 253.962 3.77968 145.818 PRESSAVG: 4344800 70.2404 -24.884 26.8934 -24.884 -50.4141 6.03567 26.8934 6.03558 1.21511 GPRESSAVG: 4344800 70.2079 -24.2032 26.3189 -24.2943 -49.2988 5.31932 25.9949 5.16832 0.155002 TIMING: 4344800 CPU: 13739.7, 0.00315338/step Wall: 13739.7, 0.00315338/step, 0.573916 hours remaining, 235.996094 MB of memory in use. ENERGY: 4344800 3910.6154 20570.5582 14479.6143 247.0592 -203601.1344 2493.9464 0.0000 0.0000 51990.3189 -109909.0219 298.7891 -161899.3408 -109540.4584 297.5105 36.3413 62.2426 761089.8427 7.0138 7.0214 PRESSURE: 4345000 46.0276 -84.33 -135.615 -84.3298 -328.672 208.055 -135.616 208.055 -555.293 GPRESSURE: 4345000 50.9174 -81.9014 -73.1128 -46.2168 -250.816 211.21 -47.8075 163.224 -542.196 PRESSAVG: 4345000 42.055 40.0636 66.5849 40.0636 -12.039 -35.7166 66.5849 -35.7166 -12.8815 GPRESSAVG: 4345000 43.2063 38.8407 66.4207 42.4025 -12.7033 -34.9965 66.325 -36.2015 -12.9582 TIMING: 4345000 CPU: 13740.3, 0.00315827/step Wall: 13740.3, 0.00315827/step, 0.574629 hours remaining, 236.253906 MB of memory in use. ENERGY: 4345000 4033.9759 20345.8825 14419.7364 249.7431 -203255.5837 2580.6483 0.0000 0.0000 51607.6614 -110017.9361 296.5899 -161625.5974 -109652.3069 298.0616 -279.3125 -247.3649 761803.2298 5.7115 5.8483 PRESSURE: 4345200 211.686 82.3989 35.533 82.3992 -245.834 24.9156 35.533 24.9167 -135.023 GPRESSURE: 4345200 232.867 131.35 -18.3775 -9.0703 -131.225 50.6462 87.4979 -44.3893 -195.967 PRESSAVG: 4345200 48.7633 -7.22108 81.3649 -7.22116 -54.7499 -26.3627 81.3649 -26.3627 -13.681 GPRESSAVG: 4345200 47.7411 -7.91928 81.6934 -10.4532 -53.7776 -26.2964 83.679 -26.6752 -14.0569 TIMING: 4345200 CPU: 13740.9, 0.00316223/step Wall: 13740.9, 0.00316223/step, 0.575174 hours remaining, 236.253906 MB of memory in use. ENERGY: 4345200 4034.1945 20560.1685 14498.9245 242.0622 -203556.3942 2427.6648 0.0000 0.0000 51758.8267 -110034.5530 297.4587 -161793.3797 -109670.0815 297.7830 -56.3905 -31.4416 761449.7147 -6.5559 -6.6978 PRESSURE: 4345400 484.004 2.94868 158.475 2.94735 200.93 -211.872 158.474 -211.873 -17.3768 GPRESSURE: 4345400 405.391 133.398 101.522 21.6168 286.621 -296.979 173.788 -3.60449 48.1363 PRESSAVG: 4345400 40.6476 -20.0419 26.8942 -20.0419 -55.2875 2.66138 26.8941 2.66131 7.20724 GPRESSAVG: 4345400 40.8165 -19.0729 24.3178 -17.5139 -55.9995 2.61554 25.1804 4.95445 7.67494 TIMING: 4345400 CPU: 13741.6, 0.00317681/step Wall: 13741.6, 0.00317681/step, 0.577649 hours remaining, 236.300781 MB of memory in use. ENERGY: 4345400 3970.3544 20560.5146 14399.8711 254.0196 -203918.0791 2812.9190 0.0000 0.0000 51833.6477 -110086.7529 297.8887 -161920.4006 -109730.7541 297.8056 222.5190 246.7162 760402.7816 -2.4776 -2.5027 PRESSURE: 4345600 -36.3936 0.236876 -68.7897 0.236744 -72.8085 -91.9477 -68.7891 -91.9477 -157.816 GPRESSURE: 4345600 -40.7886 16.5568 -77.101 -67.2119 22.4025 -110.069 -97.494 -107.295 -167.702 PRESSAVG: 4345600 -18.8043 25.2581 40.8767 25.2582 39.6843 10.3604 40.8767 10.3604 -15.2577 GPRESSAVG: 4345600 -19.8617 26.2495 43.9254 24.7026 40.0817 11.2119 41.3682 9.71448 -14.9465 TIMING: 4345600 CPU: 13742.2, 0.00316525/step Wall: 13742.2, 0.00316525/step, 0.575372 hours remaining, 236.300781 MB of memory in use. ENERGY: 4345600 3956.4296 20497.5899 14397.8170 245.8149 -203410.2232 2391.9949 0.0000 0.0000 52068.7240 -109851.8528 299.2397 -161920.5768 -109472.7368 297.9129 -89.0061 -62.0294 761139.8207 1.8741 1.7578 PRESSURE: 4345800 -39.0201 57.3283 -184.694 57.3289 54.352 -43.6697 -184.694 -43.6694 216.054 GPRESSURE: 4345800 18.1898 -25.6118 -131.701 56.3471 88.457 -136.22 -247.53 6.31489 208.118 PRESSAVG: 4345800 -10.0602 -14.3179 14.4646 -14.318 16.4511 -10.751 14.4646 -10.7511 14.7864 GPRESSAVG: 4345800 -9.68619 -15.562 14.7692 -13.9007 16.0448 -11.9585 11.9136 -11.5064 14.742 TIMING: 4345800 CPU: 13742.8, 0.00315456/step Wall: 13742.8, 0.00315456/step, 0.573254 hours remaining, 236.300781 MB of memory in use. ENERGY: 4345800 3882.2398 20390.5177 14448.5457 231.4699 -203511.2976 2663.8304 0.0000 0.0000 51978.8084 -109915.8859 298.7229 -161894.6942 -109551.5687 298.1616 77.1286 104.9217 760851.7073 7.0591 7.0335 PRESSURE: 4346000 -135.773 -94.5501 31.0885 -94.5514 142.233 22.3566 31.088 22.357 -86.46 GPRESSURE: 4346000 -66.7656 -216.639 56.8216 -90.9648 142.781 -24.3175 9.2232 -55.55 -68.7165 PRESSAVG: 4346000 36.4749 -6.56917 92.0077 -6.56909 -45.7461 -92.9634 92.0077 -92.9632 16.6372 GPRESSAVG: 4346000 36.7122 -5.61819 92.6472 -6.83526 -45.4945 -93.3888 93.1602 -92.9494 16.2494 TIMING: 4346000 CPU: 13743.5, 0.0031615/step Wall: 13743.5, 0.0031615/step, 0.574338 hours remaining, 236.300781 MB of memory 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 3991.5227 20478.1880 14449.9733 263.9699 -203504.3995 2673.9057 0.0000 0.0000 51741.8568 -109904.9831 297.3612 -161646.8398 -109547.6665 298.2780 -26.6667 2.4330 761983.6006 2.4553 2.4890 PRESSURE: 4346200 -230.166 108.205 -97.619 108.206 163.366 -90.4344 -97.6188 -90.4338 -167.928 GPRESSURE: 4346200 -100.964 83.2505 -181.996 112.143 35.4132 -40.7482 -72.5923 -54.4972 -85.1194 PRESSAVG: 4346200 30.1186 -22.5494 30.6226 -22.5494 -17.2442 -15.9917 30.6226 -15.9916 13.0043 GPRESSAVG: 4346200 29.7075 -24.3877 28.908 -22.0716 -18.1595 -14.8565 32.8942 -16.5404 14.6419 TIMING: 4346200 CPU: 13744.1, 0.00316587/step Wall: 13744.1, 0.00316587/step, 0.574957 hours remaining, 236.300781 MB of memory in use. ENERGY: 4346200 3945.1186 20607.5372 14508.5722 265.4026 -203376.1857 2706.7439 0.0000 0.0000 51705.0614 -109637.7497 297.1497 -161342.8111 -109278.5597 298.3059 -78.2430 -50.2233 762636.8090 8.6262 8.7300 PRESSURE: 4346400 18.6616 -71.1748 248.081 -71.1748 -75.5119 -87.978 248.081 -87.9782 -77.3886 GPRESSURE: 4346400 77.2387 -31.2069 255.723 -71.1391 -121.78 -116.148 -36.0606 9.08708 -14.1843 PRESSAVG: 4346400 45.959 -19.7838 36.2716 -19.7838 -55.7366 -0.94299 36.2717 -0.942963 -0.762041 GPRESSAVG: 4346400 46.4717 -17.934 36.1815 -20.6385 -54.3145 -2.34855 34.232 0.314911 -2.64108 TIMING: 4346400 CPU: 13744.7, 0.00316322/step Wall: 13744.7, 0.00316322/step, 0.5743 hours remaining, 236.300781 MB of memory in use. ENERGY: 4346400 3962.7070 20353.9327 14507.9243 251.8106 -203248.2150 2540.8782 0.0000 0.0000 52265.0904 -109365.8718 300.3682 -161630.9622 -109000.9820 298.7973 -44.7463 -19.5753 763262.8334 -3.5132 -3.4946 PRESSURE: 4346600 5.03726 183.025 233.134 183.026 -325.478 -58.1119 233.134 -58.1134 210.881 GPRESSURE: 4346600 -55.1419 199.557 193.296 144.222 -183.937 -90.6046 223.652 48.8838 194.97 PRESSAVG: 4346600 23.5842 -71.7366 32.5423 -71.7366 -8.19818 48.1353 32.5423 48.1354 -8.68972 GPRESSAVG: 4346600 21.8682 -73.389 33.4076 -70.3913 -6.96676 47.8524 33.0832 47.8497 -8.02668 TIMING: 4346600 CPU: 13745.4, 0.00315842/step Wall: 13745.4, 0.00315842/step, 0.573253 hours remaining, 236.300781 MB of memory in use. ENERGY: 4346600 3997.8516 20651.9337 14488.6619 236.1472 -203335.3975 2495.6533 0.0000 0.0000 52196.3072 -109268.8426 299.9729 -161465.1498 -108902.6014 299.9217 -36.5200 -14.7031 762638.4921 2.2321 2.2916 PRESSURE: 4346800 212.861 -12.4515 89.9202 -12.4511 -429.847 -99.1878 89.9214 -99.1878 -94.8678 GPRESSURE: 4346800 193.295 -62.8 67.0935 75.2496 -331.963 -159.47 -11.6621 -163.594 -103.915 PRESSAVG: 4346800 38.0888 -15.627 -24.698 -15.627 -16.8962 -39.5407 -24.698 -39.5407 15.2162 GPRESSAVG: 4346800 39.3538 -15.8682 -25.5688 -16.9008 -18.7072 -37.9739 -22.9502 -40.7051 15.7364 TIMING: 4346800 CPU: 13746, 0.00315187/step Wall: 13746, 0.00315188/step, 0.57189 hours remaining, 236.300781 MB of memory in use. ENERGY: 4346800 4031.3525 20561.3860 14361.9351 243.7962 -203217.7202 2589.8922 0.0000 0.0000 52101.9497 -109327.4085 299.4306 -161429.3581 -108967.5541 299.1907 -103.9515 -80.8612 761360.5343 12.1363 12.1277 PRESSURE: 4347000 -207.396 -11.8312 9.86869 -11.8315 -503.745 -54.7713 9.86897 -54.772 91.2506 GPRESSURE: 4347000 -174.958 -57.3467 17.3959 -60.3189 -414.828 -17.2558 -14.3307 -102.72 46.8064 PRESSAVG: 4347000 -18.3962 -10.1679 50.9503 -10.1679 -16.5245 -4.36352 50.9502 -4.36353 22.8547 GPRESSAVG: 4347000 -18.6772 -8.78733 49.5703 -10.843 -15.5497 -4.46897 50.8217 -2.72301 22.1915 TIMING: 4347000 CPU: 13746.6, 0.00315309/step Wall: 13746.6, 0.00315309/step, 0.571935 hours remaining, 236.300781 MB of memory in use. ENERGY: 4347000 4048.8085 20566.3368 14483.7443 239.7445 -203429.9937 2676.8108 0.0000 0.0000 51985.0250 -109429.5238 298.7587 -161414.5488 -109078.2235 299.1785 -206.6302 -180.9935 762885.6648 -4.0220 -4.0118 PRESSURE: 4347200 -286.21 -255.768 -120.414 -255.768 -223.713 263.654 -120.413 263.655 -106.187 GPRESSURE: 4347200 -234.888 -215.728 -122.786 -268.551 -206.713 286.648 21.8002 186.483 -86.8931 PRESSAVG: 4347200 2.48171 -31.6168 4.58929 -31.6167 7.41836 14.185 4.58927 14.1851 15.337 GPRESSAVG: 4347200 4.22206 -32.5178 6.50775 -31.3091 4.68669 14.124 4.78228 13.85 16.0927 TIMING: 4347200 CPU: 13747.3, 0.00316301/step Wall: 13747.3, 0.00316301/step, 0.573559 hours remaining, 236.300781 MB of memory in use. ENERGY: 4347200 3978.5415 20620.8173 14488.3112 247.5218 -203820.2389 2834.5808 0.0000 0.0000 52247.0984 -109403.3681 300.2648 -161650.4664 -109038.8086 299.0848 -205.3697 -176.1646 761424.6456 8.4124 8.3338 PRESSURE: 4347400 114.053 69.1237 292.635 69.1247 -344.983 -163.081 292.635 -163.081 38.2131 GPRESSURE: 4347400 45.4361 121.08 158.431 79.4197 -185.047 -243.774 263.338 -25.3162 40.6166 PRESSAVG: 4347400 -91.9843 -7.07665 -19.9474 -7.07667 34.3169 -36.4961 -19.9474 -36.4961 -1.42335 GPRESSAVG: 4347400 -92.8916 -7.41239 -19.4714 -7.49728 37.2819 -36.6495 -20.5623 -36.7063 -2.938 TIMING: 4347400 CPU: 13747.9, 0.00313885/step Wall: 13747.9, 0.00313885/step, 0.569004 hours remaining, 236.300781 MB of memory in use. ENERGY: 4347400 3913.4834 20662.0390 14475.0119 251.2409 -203483.7417 2749.5497 0.0000 0.0000 52239.4256 -109192.9911 300.2207 -161432.4167 -108830.0366 299.4124 -64.2391 -32.9980 762347.8410 -19.6969 -19.5159 PRESSURE: 4347600 -4.55106 155.783 -105.384 155.783 280.893 91.1 -105.383 91.0997 -138.089 GPRESSURE: 4347600 -23.4486 235.252 -7.76059 94.6973 345.175 21.1782 -104.848 102.366 -108.156 PRESSAVG: 4347600 -35.1864 -33.8313 0.189385 -33.8314 34.4894 -21.3557 0.189393 -21.3557 3.58196 GPRESSAVG: 4347600 -34.9429 -33.265 -0.520238 -33.082 33.3333 -21.8086 -0.292616 -22.5015 4.25262 TIMING: 4347600 CPU: 13748.5, 0.00316092/step Wall: 13748.5, 0.00316092/step, 0.572829 hours remaining, 236.300781 MB of memory in use. ENERGY: 4347600 4013.5812 20593.6105 14438.0038 235.0663 -203679.7756 3018.6732 0.0000 0.0000 52328.4616 -109052.3790 300.7324 -161380.8406 -108691.3477 300.0889 46.0841 71.1901 760360.4568 0.9617 0.8810 PRESSURE: 4347800 -227.056 -33.8948 -56.8893 -33.8946 -338.973 12.8718 -56.8902 12.8707 -463.179 GPRESSURE: 4347800 -229.458 -65.0565 -171.292 -36.1608 -268.424 -29.6526 74.7171 -56.202 -447.93 PRESSAVG: 4347800 -62.4966 -8.9047 11.135 -8.90468 4.4654 22.7568 11.135 22.7568 -8.87878 GPRESSAVG: 4347800 -61.6149 -9.3828 11.3973 -8.75728 3.58552 21.8988 11.8789 22.95 -8.51404 TIMING: 4347800 CPU: 13749.2, 0.00315425/step Wall: 13749.2, 0.00315425/step, 0.571446 hours remaining, 236.300781 MB of memory in use. ENERGY: 4347800 3998.3099 20547.6652 14516.7348 259.2664 -203406.0938 2572.8519 0.0000 0.0000 52173.1867 -109338.0790 299.8400 -161511.2657 -108968.6367 299.7369 -343.0696 -315.2707 761593.7142 -22.3033 -22.1812 PRESSURE: 4348000 -164.204 156.423 129.54 156.422 36.074 -325.329 129.541 -325.33 359.13 GPRESSURE: 4348000 -155.195 142.388 128.277 49.5332 36.1213 -392.702 97.8652 -143.598 425.339 PRESSAVG: 4348000 13.5376 4.86462 10.7773 4.86455 21.3325 -11.4496 10.7773 -11.4496 -23.7548 GPRESSAVG: 4348000 14.019 5.06442 11.1255 4.3678 21.1131 -11.3615 10.8177 -10.6986 -23.5181 TIMING: 4348000 CPU: 13749.8, 0.00314632/step Wall: 13749.8, 0.00314632/step, 0.569833 hours remaining, 236.300781 MB of memory 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 3934.6240 20498.4645 14419.0519 238.5076 -203204.9759 2697.4666 0.0000 0.0000 51880.1439 -109536.7174 298.1559 -161416.8612 -109167.7229 299.1392 77.0002 102.0882 761998.3771 3.7051 3.8713 PRESSURE: 4348200 80.4992 -93.9078 30.8293 -93.9079 -49.351 -48.5593 30.8295 -48.5597 236.965 GPRESSURE: 4348200 72.3167 25.0086 81.6172 49.4387 1.11729 -40.4687 91.9303 -125.679 268.734 PRESSAVG: 4348200 -19.5492 12.9532 -9.03144 12.9532 32.5057 0.824929 -9.0315 0.824922 -6.8829 GPRESSAVG: 4348200 -20.2634 12.3322 -9.92937 12.9364 33.1024 1.1935 -10.4371 2.06231 -6.56207 TIMING: 4348200 CPU: 13750.4, 0.00316719/step Wall: 13750.4, 0.00316719/step, 0.573437 hours remaining, 236.300781 MB of memory in use. ENERGY: 4348200 3982.9645 20395.2486 14430.8540 248.7503 -203553.7913 2800.5873 0.0000 0.0000 52119.7313 -109575.6553 299.5328 -161695.3866 -109212.7908 298.9563 89.3709 114.0561 762556.2659 2.0245 2.0923 LDB: ============= START OF LOAD BALANCING ============== 13763 LDB: ============== END OF LOAD BALANCING =============== 13763 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13763 LDB: ============= START OF LOAD BALANCING ============== 13763.3 LDB: Largest compute 7032 load 0.033897 is 17.3% of average load 0.195553 LDB: Average compute 0.004394 is 2.2% of average load 0.195553 LDB: TIME 13763.3 LOAD: AVG 0.195553 MAX 0.216292 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 13763.3 LOAD: AVG 0.195553 MAX 0.216292 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 13763.3 LOAD: AVG 0.195553 MAX 0.216292 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 13763.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13763.3 PRESSURE: 4348400 -94.604 -236.551 -14.2461 -236.551 -217.325 -227.042 -14.2464 -227.043 101.138 GPRESSURE: 4348400 -38.6787 -146.766 -127.219 -260.973 -132.028 -250.206 -52.5732 -271.499 46.3965 PRESSAVG: 4348400 -7.33281 28.8515 -27.0282 28.8515 64.2615 -30.0461 -27.0283 -30.0461 9.90843 GPRESSAVG: 4348400 -6.53822 29.1077 -29.063 28.8556 65.5813 -30.341 -26.5669 -32.647 8.30705 TIMING: 4348400 CPU: 13751.1, 0.00323681/step Wall: 13751.1, 0.00323681/step, 0.585862 hours remaining, 236.187500 MB of memory in use. ENERGY: 4348400 3973.3887 20437.1754 14475.1016 246.6147 -203183.9544 2755.8361 0.0000 0.0000 51754.9144 -109540.9236 297.4362 -161295.8380 -109181.2857 299.0747 -70.2638 -41.4366 764468.0263 22.2790 22.4501 PRESSURE: 4348600 -233.383 31.3746 207.043 31.3748 188.363 190.876 207.043 190.875 -17.0919 GPRESSURE: 4348600 -237.583 36.023 280.051 110.55 184.355 158.585 167.828 172.297 72.1205 PRESSAVG: 4348600 -83.6799 2.06523 -11.9778 2.06522 49.6912 24.7663 -11.9779 24.7663 7.82325 GPRESSAVG: 4348600 -83.3998 2.55488 -9.50062 2.59721 47.4878 26.6447 -12.0149 25.7032 9.78706 TIMING: 4348600 CPU: 13751.7, 0.00317991/step Wall: 13751.7, 0.00317991/step, 0.575388 hours remaining, 236.187500 MB of memory in use. ENERGY: 4348600 4026.3324 20520.0546 14495.6253 237.7139 -203536.8804 2810.4368 0.0000 0.0000 51943.4784 -109503.2390 298.5199 -161446.7174 -109140.7118 298.7051 -20.7038 6.2975 761334.1170 -8.7218 -8.7083 PRESSURE: 4348800 -161.635 107.294 120.175 107.296 -164.446 -131.122 120.174 -131.121 -212.904 GPRESSURE: 4348800 -111.621 64.4206 225.067 165.157 -169.812 -135.53 101.846 -156.746 -182.525 PRESSAVG: 4348800 -30.4967 38.171 39.0003 38.1709 -15.88 -49.7621 39.0003 -49.762 17.1676 GPRESSAVG: 4348800 -30.3319 37.8542 38.3262 38.2825 -14.889 -50.2228 37.392 -48.8662 15.5318 TIMING: 4348800 CPU: 13752.3, 0.00316172/step Wall: 13752.3, 0.00316172/step, 0.571921 hours remaining, 236.187500 MB of memory in use. ENERGY: 4348800 3964.9224 20446.0252 14520.3981 243.1337 -202965.0279 2246.0302 0.0000 0.0000 52127.3155 -109417.2028 299.5764 -161544.5183 -109052.2797 299.1520 -179.6618 -154.6528 762308.7315 -9.7364 -9.8964 PRESSURE: 4349000 -255.006 -40.4766 135.689 -40.4762 -327.835 -94.8451 135.69 -94.8447 -493.746 GPRESSURE: 4349000 -217.976 49.0876 171.119 -149.007 -324.832 -134.586 171.998 -44.7862 -415.468 PRESSAVG: 4349000 33.4213 16.5386 20.32 16.5385 -37.2907 -7.15771 20.32 -7.15759 -14.318 GPRESSAVG: 4349000 32.7941 17.0755 20.3053 15.3003 -36.7303 -8.16166 22.6865 -7.25255 -13.719 TIMING: 4349000 CPU: 13753, 0.00317938/step Wall: 13753, 0.00317938/step, 0.574939 hours remaining, 236.187500 MB of memory in use. ENERGY: 4349000 4041.6128 20395.8090 14438.8082 234.3755 -202998.4408 2333.1441 0.0000 0.0000 51688.6941 -109865.9971 297.0556 -161554.6912 -109510.0349 298.4376 -358.8622 -319.4253 762240.5596 -6.0624 -5.8851 PRESSURE: 4349200 109.424 21.1001 -107.063 21.1002 -422.312 -70.7021 -107.063 -70.7015 -36.7212 GPRESSURE: 4349200 102.407 3.52259 -120.544 46.6737 -369.797 -82.2895 -100.078 -36.7654 -5.89739 PRESSAVG: 4349200 -0.0894081 -15.1374 -26.958 -15.1375 7.9111 -16.3925 -26.958 -16.3924 -19.6377 GPRESSAVG: 4349200 -0.714728 -13.6507 -28.5054 -15.6991 8.64626 -16.5943 -25.7788 -14.7538 -19.4831 TIMING: 4349200 CPU: 13753.6, 0.00315944/step Wall: 13753.6, 0.00315944/step, 0.571156 hours remaining, 236.187500 MB of memory in use. ENERGY: 4349200 4008.0563 20402.3727 14451.0424 247.6827 -202936.8959 2231.9211 0.0000 0.0000 51854.0913 -109741.7294 298.0062 -161595.8207 -109374.1392 298.3461 -116.5363 -91.0959 759962.3379 -3.9387 -3.8505 PRESSURE: 4349400 -280.876 -89.0796 116.921 -89.0794 -224.04 28.7793 116.92 28.7798 90.4776 GPRESSURE: 4349400 -209.056 -36.1298 113.995 -31.3182 -280.07 98.3724 140.02 55.4436 148.048 PRESSAVG: 4349400 4.85137 -47.7789 -18.9853 -47.7789 -2.22555 -20.4555 -18.9853 -20.4556 21.3409 GPRESSAVG: 4349400 5.04642 -49.7659 -19.02 -45.3574 -3.76362 -20.292 -20.3355 -21.5543 22.2283 TIMING: 4349400 CPU: 13754.2, 0.00315528/step Wall: 13754.2, 0.00315528/step, 0.570229 hours remaining, 236.187500 MB of memory in use. ENERGY: 4349400 3941.2474 20465.3160 14435.4313 243.6044 -203210.4961 2433.8442 0.0000 0.0000 52094.4757 -109596.5771 299.3877 -161691.0528 -109242.8767 298.8082 -138.1461 -113.6926 759521.5757 7.9889 7.8370 PRESSURE: 4349600 80.2481 -19.6088 221.933 -19.6084 -211.336 157.166 221.932 157.166 -70.6245 GPRESSURE: 4349600 68.4661 -55.5146 327.64 -122.771 -87.0398 208.056 130.25 -41.6746 -112.54 PRESSAVG: 4349600 -37.9572 -16.6146 33.4058 -16.6147 -1.68256 41.4856 33.4058 41.4855 6.75657 GPRESSAVG: 4349600 -37.2278 -14.558 35.7122 -20.1321 -1.20226 40.5954 33.5967 42.7883 6.0511 TIMING: 4349600 CPU: 13754.9, 0.00316082/step Wall: 13754.9, 0.00316082/step, 0.571054 hours remaining, 236.187500 MB of memory in use. ENERGY: 4349600 3984.4936 20488.1524 14485.4614 249.4419 -202963.8589 2065.4818 0.0000 0.0000 52096.7952 -109594.0328 299.4010 -161690.8279 -109225.4255 299.3408 -67.2375 -43.7046 760288.1986 -10.9611 -10.7930 PRESSURE: 4349800 -61.7454 -33.317 -340.838 -33.3163 4.37918 -127.82 -340.838 -127.82 -420.527 GPRESSURE: 4349800 -62.0442 -43.3092 -318.846 -17.1959 -32.5963 -110.277 -385.393 -139.881 -303.561 PRESSAVG: 4349800 -9.251 -17.444 -44.8376 -17.4439 40.5279 -32.826 -44.8376 -32.8259 8.39515 GPRESSAVG: 4349800 -8.93266 -18.9551 -45.5842 -14.8702 40.6729 -32.2444 -45.375 -35.7777 8.51206 TIMING: 4349800 CPU: 13755.5, 0.00315503/step Wall: 13755.5, 0.00315503/step, 0.569834 hours remaining, 236.187500 MB of memory in use. ENERGY: 4349800 3925.5745 20473.4112 14514.9162 253.3948 -203374.9631 2657.0297 0.0000 0.0000 51867.2976 -109683.3391 298.0821 -161550.6367 -109324.9752 298.6697 -159.2976 -132.7340 760861.8362 13.2240 13.4174 PRESSURE: 4350000 -233.841 -176.952 -1.82599 -176.951 -184.072 53.5946 -1.82515 53.5953 -14.5782 GPRESSURE: 4350000 -148.184 -212.066 94.7035 -108.75 -201.073 51.1106 -7.61609 34.2767 -0.788456 PRESSAVG: 4350000 33.8118 51.9851 -10.5617 51.9851 -22.3195 -12.462 -10.5617 -12.462 -21.812 GPRESSAVG: 4350000 34.9559 52.7455 -10.0263 53.3499 -22.755 -11.3035 -10.8108 -11.395 -22.8468 TIMING: 4350000 CPU: 13756.1, 0.00318011/step Wall: 13756.1, 0.00318011/step, 0.574186 hours remaining, 236.187500 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: 4350000 3966.2583 20537.2312 14500.0080 257.1062 -203620.4268 2745.3827 0.0000 0.0000 52022.7827 -109591.6577 298.9756 -161614.4404 -109244.6557 298.7271 -144.1637 -116.6816 761901.5991 -3.4399 -3.5486 PRESSURE: 4350200 87.3686 -89.2237 -120.094 -89.2248 361.623 -140.97 -120.094 -140.971 89.8418 GPRESSURE: 4350200 154.729 -109.768 -145.471 -93.0029 390.585 -139.373 56.9579 -78.6192 60.9627 PRESSAVG: 4350200 21.7906 0.585402 -40.9075 0.585386 -17.176 -16.554 -40.9075 -16.554 1.52982 GPRESSAVG: 4350200 19.7221 -0.759229 -41.6537 1.64022 -16.4922 -16.981 -39.1133 -15.5301 2.56145 TIMING: 4350200 CPU: 13756.8, 0.00318468/step Wall: 13756.8, 0.00318468/step, 0.574835 hours remaining, 236.187500 MB of memory in use. ENERGY: 4350200 3872.6813 20564.8957 14591.2836 268.0047 -203598.4818 2881.0897 0.0000 0.0000 52131.2470 -109289.2798 299.5990 -161420.5269 -108935.9531 298.8869 179.6113 202.0921 759028.3975 2.0481 1.9305 PRESSURE: 4350400 -42.642 -243.825 40.132 -243.825 293.42 24.1297 40.1321 24.1299 -381.179 GPRESSURE: 4350400 -51.4104 -248.475 -61.7763 -94.7981 372.303 -5.18704 67.8512 25.4137 -365.163 PRESSAVG: 4350400 -66.8639 26.4376 -16.8019 26.4376 70.249 -61.2782 -16.8018 -61.2781 -16.1462 GPRESSAVG: 4350400 -67.0318 27.001 -18.209 23.0407 70.0898 -60.7131 -18.4533 -62.9276 -16.1464 TIMING: 4350400 CPU: 13757.4, 0.00318804/step Wall: 13757.4, 0.00318803/step, 0.575263 hours remaining, 236.187500 MB of memory in use. ENERGY: 4350400 3904.8210 20640.9513 14472.7457 239.9804 -203306.0057 2606.9371 0.0000 0.0000 52072.6211 -109367.9491 299.2621 -161440.5702 -109003.1928 299.4269 -43.4671 -14.7569 760214.3645 -4.2537 -4.3628 PRESSURE: 4350600 -271.091 -41.6537 132.44 -41.6528 14.4891 -60.2737 132.439 -60.2737 288.216 GPRESSURE: 4350600 -239.449 -38.4088 75.3909 55.3211 6.50849 -15.5208 99.5234 13.3317 348.298 PRESSAVG: 4350600 -57.0674 8.215 -13.5965 8.21504 53.154 71.0328 -13.5966 71.0328 20.8931 GPRESSAVG: 4350600 -55.9418 8.27733 -12.1613 10.6871 52.872 70.9635 -14.822 71.0336 19.9095 TIMING: 4350600 CPU: 13758, 0.0031819/step Wall: 13758, 0.0031819/step, 0.57398 hours remaining, 236.187500 MB of memory in use. ENERGY: 4350600 3952.9043 20529.4502 14474.5510 265.3680 -203369.4851 2708.4330 0.0000 0.0000 51845.2229 -109593.5556 297.9552 -161438.7785 -109235.6096 299.1834 10.5380 38.4524 760856.4240 5.6599 5.6132 PRESSURE: 4350800 -322.102 246.256 292.663 246.256 134.202 61.7649 292.663 61.7629 -7.65012 GPRESSURE: 4350800 -276.748 163.927 224.727 136.324 138.898 166.167 179.649 95.6321 29.1209 PRESSAVG: 4350800 -25.9476 9.27637 0.274636 9.27642 20.6075 -22.7605 0.274674 -22.7605 -5.04438 GPRESSAVG: 4350800 -27.5419 8.30238 -2.30919 7.87212 21.5063 -23.1738 1.1406 -20.7354 -4.28337 TIMING: 4350800 CPU: 13758.7, 0.00316326/step Wall: 13758.7, 0.00316326/step, 0.570441 hours remaining, 236.187500 MB of memory in use. ENERGY: 4350800 3942.2183 20647.2498 14445.3604 243.8385 -202849.4142 2158.8881 0.0000 0.0000 51863.6610 -109548.1981 298.0612 -161411.8591 -109184.8786 298.8972 -65.1832 -36.2429 758623.4497 -3.4615 -3.4397 PRESSURE: 4351000 -140.987 -76.7479 -79.01 -76.7481 -290.88 -72.7163 -79.0098 -72.717 -322.259 GPRESSURE: 4351000 -61.8244 -160.093 -33.7328 -189.045 -299.532 30.9796 -100.605 -98.9604 -306.595 PRESSAVG: 4351000 -17.6832 -1.93236 -87.273 -1.93238 18.8029 -58.8992 -87.2731 -58.899 28.4538 GPRESSAVG: 4351000 -15.7317 -1.49891 -85.3948 -0.377199 17.5967 -58.5763 -85.6292 -57.4321 27.8851 TIMING: 4351000 CPU: 13759.3, 0.00314032/step Wall: 13759.3, 0.00314032/step, 0.56613 hours remaining, 236.187500 MB of memory in use. ENERGY: 4351000 4002.6702 20537.7063 14532.1043 244.0187 -203302.7845 2255.3857 0.0000 0.0000 52281.6365 -109449.2628 300.4633 -161730.8993 -109079.5030 299.4308 -251.3755 -222.6505 760232.0486 9.8578 9.9167 PRESSURE: 4351200 -319.955 53.8656 20.438 53.8657 -101.675 -128.954 20.4378 -128.954 -261.81 GPRESSURE: 4351200 -249.285 -25.6857 -45.6185 86.9617 -126.486 -72.1217 74.5361 -158.99 -224.473 PRESSAVG: 4351200 27.0362 -27.3807 -71.1416 -27.3807 5.4484 54.2718 -71.1416 54.2719 -31.6438 GPRESSAVG: 4351200 26.6061 -26.1502 -70.5172 -27.7493 5.69011 54.5487 -72.2277 50.4013 -30.9961 TIMING: 4351200 CPU: 13759.9, 0.00318072/step Wall: 13759.9, 0.00318072/step, 0.573237 hours remaining, 236.187500 MB of memory in use. ENERGY: 4351200 4039.5956 20624.2053 14495.4929 255.2691 -203132.9502 2238.0372 0.0000 0.0000 52052.1704 -109428.1798 299.1445 -161480.3502 -109074.1213 298.9027 -227.8134 -200.0813 762490.3974 0.2803 0.4334 PRESSURE: 4351400 -203.4 -123.713 -23.7699 -123.713 108.158 73.5203 -23.7699 73.5205 104.024 GPRESSURE: 4351400 -130.134 -82.1998 -38.5078 -224.943 71.304 106.805 -69.4039 27.6918 154.605 PRESSAVG: 4351400 -49.0148 -3.67643 20.7907 -3.67641 59.4346 -31.0208 20.7907 -31.0208 -4.80311 GPRESSAVG: 4351400 -48.916 -4.65968 20.7829 -4.13605 60.5551 -32.8001 18.8029 -29.941 -5.41042 TIMING: 4351400 CPU: 13760.6, 0.00316507/step Wall: 13760.6, 0.00316507/step, 0.570241 hours remaining, 236.187500 MB of memory in use. ENERGY: 4351400 4050.6644 20560.9230 14455.6973 245.3411 -203307.2870 2618.6958 0.0000 0.0000 52218.3270 -109157.6385 300.0994 -161375.9655 -108807.4203 299.4234 2.9274 31.9251 761246.8520 1.8722 2.0762 PRESSURE: 4351600 304.786 178.131 -105.703 178.131 226.541 120.555 -105.703 120.556 211.026 GPRESSURE: 4351600 349.854 167.299 -118.747 102.75 240.981 25.8524 -156.581 38.8664 212.221 PRESSAVG: 4351600 -9.96761 36.2618 -24.0197 36.2618 49.9913 5.50144 -24.0197 5.50146 0.439854 GPRESSAVG: 4351600 -9.07609 36.139 -24.4971 37.2425 49.1004 5.3301 -22.1226 7.98278 0.717857 TIMING: 4351600 CPU: 13761.2, 0.00316044/step Wall: 13761.2, 0.00316044/step, 0.569231 hours remaining, 236.187500 MB of memory in use. ENERGY: 4351600 3986.9347 20634.8157 14505.1834 269.1837 -203449.0767 2731.6697 0.0000 0.0000 52278.4068 -109042.8825 300.4447 -161321.2894 -108679.1126 300.4073 247.4511 267.6851 760342.5151 13.4879 13.5807 PRESSURE: 4351800 182.546 39.7192 -83.7002 39.7185 59.1163 152.703 -83.7006 152.703 260.211 GPRESSURE: 4351800 131.039 -48.6869 -50.6135 57.4458 219.851 101.231 -70.2121 156.212 223.494 PRESSAVG: 4351800 -30.8378 -5.88965 -18.0577 -5.88964 73.0346 -2.54398 -18.0577 -2.544 -5.3521 GPRESSAVG: 4351800 -31.5899 -7.62017 -17.7296 -5.67614 72.625 -1.53253 -19.3084 -3.10978 -4.27581 TIMING: 4351800 CPU: 13761.8, 0.00314706/step Wall: 13761.8, 0.00314706/step, 0.566647 hours remaining, 236.187500 MB of memory in use. ENERGY: 4351800 3942.8497 20695.4338 14572.5907 252.7822 -203246.2718 2796.8847 0.0000 0.0000 52003.5286 -108982.2022 298.8650 -160985.7308 -108623.5816 300.3453 167.2911 191.4614 760772.2332 12.2815 12.2531 PRESSURE: 4352000 -240.084 47.7706 -66.4234 47.7701 -303.752 -5.59317 -66.424 -5.59274 240.039 GPRESSURE: 4352000 -231.098 66.5788 -62.7184 -60.3903 -157.788 26.6122 -106.834 -90.0512 170.641 PRESSAVG: 4352000 -30.8538 -7.88868 -13.0274 -7.88863 39.9873 47.4606 -13.0274 47.4606 5.56111 GPRESSAVG: 4352000 -30.5885 -5.78714 -12.1786 -8.8083 40.7328 48.5119 -12.5085 45.4582 4.80789 TIMING: 4352000 CPU: 13762.5, 0.00314418/step Wall: 13762.5, 0.00314417/step, 0.565951 hours remaining, 236.187500 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: 4352000 3903.2225 20409.0559 14498.2603 263.6673 -202819.3346 2301.3074 0.0000 0.0000 52277.7312 -109166.0901 300.4408 -161443.8213 -108796.2886 299.8089 -101.2659 -72.7482 761241.0462 4.8982 4.9840 PRESSURE: 4352200 -382.927 118.058 121.325 118.058 139.603 125.313 121.325 125.314 -91.8109 GPRESSURE: 4352200 -318.337 72.1329 108.397 46.0713 180.954 95.3857 111.869 87.3709 -137.633 PRESSAVG: 4352200 -18.8003 29.856 -1.70503 29.856 55.6783 -59.7716 -1.70505 -59.7716 6.89855 GPRESSAVG: 4352200 -18.0906 29.1096 -2.27245 30.7474 55.4978 -59.241 -1.15717 -60.4185 6.24277 TIMING: 4352200 CPU: 13763.1, 0.00315529/step Wall: 13763.1, 0.00315529/step, 0.567777 hours remaining, 236.187500 MB of memory in use. ENERGY: 4352200 4091.0669 20471.5702 14484.7773 240.5061 -203182.9930 2648.3024 0.0000 0.0000 52123.5057 -109123.2643 299.5545 -161246.7700 -108764.5454 299.4842 -111.7117 -91.6721 760827.5769 14.5922 14.5500 LDB: ============= START OF LOAD BALANCING ============== 13775.6 LDB: ============== END OF LOAD BALANCING =============== 13775.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13775.6 LDB: ============= START OF LOAD BALANCING ============== 13775.9 LDB: Largest compute 7075 load 0.033824 is 17.3% of average load 0.195649 LDB: Average compute 0.004387 is 2.2% of average load 0.195649 LDB: TIME 13775.9 LOAD: AVG 0.195649 MAX 0.214379 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.301 MB LDB: TIME 13775.9 LOAD: AVG 0.195649 MAX 0.214379 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: TIME 13775.9 LOAD: AVG 0.195649 MAX 0.214379 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.543 MB LDB: ============== END OF LOAD BALANCING =============== 13776 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13776 PRESSURE: 4352400 -131.502 32.8137 13.6313 32.8145 255.012 22.7265 13.6307 22.7259 -126.518 GPRESSURE: 4352400 1.92468 -13.3433 47.2028 -58.3347 198.429 76.8197 -14.1265 60.6182 -111.671 PRESSAVG: 4352400 42.8989 10.907 10.701 10.9071 2.27407 -29.13 10.7009 -29.13 -5.12285 GPRESSAVG: 4352400 42.4725 9.92855 10.7623 10.3775 1.69971 -30.8317 9.53241 -28.3201 -4.35254 TIMING: 4352400 CPU: 13763.7, 0.00321131/step Wall: 13763.7, 0.00321131/step, 0.577679 hours remaining, 237.636719 MB of memory in use. ENERGY: 4352400 4010.4638 20412.0989 14531.2628 239.0732 -203691.5331 2793.7283 0.0000 0.0000 52190.8487 -109514.0575 299.9415 -161704.9062 -109151.8454 299.2953 -1.0027 29.5609 758849.7234 13.3500 13.2732 PRESSURE: 4352600 -188.506 111.9 12.0115 111.9 -52.386 -99.1863 12.0115 -99.186 -197.755 GPRESSURE: 4352600 -111.108 124.388 2.67369 40.9676 -29.7839 -81.2207 -58.06 -117.068 -188.58 PRESSAVG: 4352600 -6.42009 21.5798 12.8508 21.5798 2.56492 2.54904 12.8508 2.54914 8.30639 GPRESSAVG: 4352600 -6.33504 22.6048 13.0232 21.2505 2.30768 2.39811 12.0545 3.97172 7.99204 TIMING: 4352600 CPU: 13764.4, 0.00314747/step Wall: 13764.4, 0.00314747/step, 0.56602 hours remaining, 237.636719 MB of memory in use. ENERGY: 4352600 4037.8547 20623.1322 14501.8988 255.9498 -203119.3280 2551.5975 0.0000 0.0000 51893.7284 -109255.1667 298.2340 -161148.8950 -108895.1807 298.9382 -146.2159 -109.8241 760780.4422 1.4837 1.3216 PRESSURE: 4352800 472.432 -42.4377 45.4534 -42.4387 214.095 108.21 45.453 108.21 566.331 GPRESSURE: 4352800 456.876 -84.1907 17.1536 -43.0558 255.608 155.299 130.187 17.0044 617.529 PRESSAVG: 4352800 21.4284 5.76794 33.1085 5.76794 10.9335 -38.9147 33.1085 -38.9147 -2.60088 GPRESSAVG: 4352800 20.2021 6.51614 31.1714 5.42013 11.9759 -37.1046 35.9586 -40.7178 -2.7635 TIMING: 4352800 CPU: 13765, 0.00315267/step Wall: 13765, 0.00315267/step, 0.566779 hours remaining, 237.636719 MB of memory in use. ENERGY: 4352800 3923.1223 20507.6775 14579.3862 239.4537 -203393.1712 2689.4146 0.0000 0.0000 52049.4281 -109404.6887 299.1288 -161454.1169 -109046.8547 299.0162 417.6191 443.3377 760166.2293 9.9203 9.8048 PRESSURE: 4353000 -233.722 37.8731 34.5783 37.8726 -30.2798 50.4642 34.5779 50.4632 207.884 GPRESSURE: 4353000 -232.458 13.6466 83.4291 60.274 -46.5217 -9.6889 159.038 22.2815 293.379 PRESSAVG: 4353000 -15.5642 -54.1485 20.8281 -54.1485 -36.4282 -22.4409 20.8281 -22.4409 -5.07485 GPRESSAVG: 4353000 -14.6639 -55.0394 21.9807 -55.1358 -37.235 -25.4973 18.9941 -20.2029 -5.56953 TIMING: 4353000 CPU: 13765.6, 0.00313834/step Wall: 13765.6, 0.00313834/step, 0.564029 hours remaining, 237.636719 MB of memory in use. ENERGY: 4353000 3969.5127 20558.6699 14565.7281 248.3438 -203554.5879 2672.3507 0.0000 0.0000 51846.9357 -109693.0471 297.9651 -161539.9827 -109321.2931 298.4214 -18.7060 4.7997 762480.2227 -19.0224 -19.1561 PRESSURE: 4353200 -1.80615 -105.114 70.7773 -105.114 42.3251 -89.024 70.7773 -89.0238 -215.149 GPRESSURE: 4353200 68.2665 -213.644 36.1581 -99.3455 -31.7173 -14.1316 9.66502 -102.081 -113.013 PRESSAVG: 4353200 -19.8829 -84.182 -10.2267 -84.182 56.4815 -59.4524 -10.2268 -59.4525 -5.5177 GPRESSAVG: 4353200 -19.6021 -83.9059 -10.0116 -82.6388 56.2948 -58.7911 -8.93684 -59.9927 -5.29592 TIMING: 4353200 CPU: 13766.3, 0.00315447/step Wall: 13766.3, 0.00315447/step, 0.566753 hours remaining, 237.636719 MB of memory in use. ENERGY: 4353200 4033.3437 20534.3820 14531.7962 231.1384 -203335.1627 2549.1654 0.0000 0.0000 51696.1481 -109759.1889 297.0985 -161455.3369 -109404.3560 297.9614 -58.2099 -25.4878 761642.3238 10.3603 10.4656 PRESSURE: 4353400 -76.0629 -38.2309 -95.9813 -38.2311 155.794 78.3281 -95.9792 78.3288 -228.554 GPRESSURE: 4353400 -39.8318 -55.8973 -35.0148 6.86988 190.039 56.5497 -51.7068 116.458 -206.694 PRESSAVG: 4353400 -41.5734 -24.5916 7.70452 -24.5916 24.3061 -18.8475 7.70454 -18.8475 9.49682 GPRESSAVG: 4353400 -42.407 -24.7877 6.13638 -22.4248 23.9766 -18.0054 8.6496 -19.2385 10.9433 TIMING: 4353400 CPU: 13766.9, 0.0031555/step Wall: 13766.9, 0.0031555/step, 0.566763 hours remaining, 237.636719 MB of memory in use. ENERGY: 4353400 4015.6409 20418.4482 14455.5151 224.5533 -203417.8204 2690.3457 0.0000 0.0000 51804.8229 -109808.4943 297.7230 -161613.3172 -109445.7106 298.0003 -49.6076 -18.8290 761461.2426 -2.5902 -2.4957 PRESSURE: 4353600 -17.2594 -134.094 -60.0612 -134.094 -304.572 147.856 -60.0614 147.855 184.032 GPRESSURE: 4353600 55.9755 -98.0805 -60.3653 -98.3202 -288.712 104.333 -9.99228 173.149 166.088 PRESSAVG: 4353600 12.812 -32.859 13.3012 -32.859 -30.415 22.0648 13.3013 22.0648 10.2792 GPRESSAVG: 4353600 13.3086 -32.3307 14.4275 -33.8794 -29.3292 21.6571 11.1322 23.2327 8.99915 TIMING: 4353600 CPU: 13767.5, 0.0031707/step Wall: 13767.5, 0.0031707/step, 0.569317 hours remaining, 237.636719 MB of memory in use. ENERGY: 4353600 3949.7343 20541.9757 14495.7410 242.7724 -203460.8294 2354.6992 0.0000 0.0000 51830.8609 -110045.0458 297.8727 -161875.9067 -109675.2995 298.1103 -45.9329 -22.2164 761490.4002 -2.4413 -2.3405 PRESSURE: 4353800 -226.231 -34.7368 11.4407 -34.736 338.832 17.3899 11.4412 17.3908 6.43747 GPRESSURE: 4353800 -109.412 -88.1454 119.457 11.3089 255.349 136.768 -51.8272 11.7068 52.7419 PRESSAVG: 4353800 -0.419897 31.8998 -41.7452 31.8998 15.174 26.5715 -41.7452 26.5715 -2.06695 GPRESSAVG: 4353800 -0.0729112 30.6327 -42.6177 32.9498 14.7997 27.0448 -40.2667 24.8893 -2.31901 TIMING: 4353800 CPU: 13768.2, 0.00318473/step Wall: 13768.2, 0.00318473/step, 0.571659 hours remaining, 237.636719 MB of memory in use. ENERGY: 4353800 3977.3676 20691.4802 14459.6609 233.9926 -203723.4213 2586.4462 0.0000 0.0000 51802.8881 -109971.5857 297.7119 -161774.4738 -109614.6098 297.1360 39.6796 66.2261 761431.3579 4.2290 4.1359 PRESSURE: 4354000 153.354 -3.83052 -173.621 -3.83026 77.0845 -149.72 -173.621 -149.719 326.757 GPRESSURE: 4354000 190.55 -35.7476 -203.698 -114.515 91.1797 -185.499 -14.9961 -76.841 366.319 PRESSAVG: 4354000 -8.75416 -34.4611 -19.1774 -34.461 28.5089 6.51883 -19.1774 6.51881 -12.0359 GPRESSAVG: 4354000 -9.95033 -32.9504 -18.6717 -38.73 28.7584 6.18499 -20.2299 7.24082 -10.9891 TIMING: 4354000 CPU: 13768.8, 0.00315696/step Wall: 13768.8, 0.00315696/step, 0.5665 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: 4354000 3942.7585 20449.6062 14539.9931 254.1692 -203440.5635 2557.2952 0.0000 0.0000 51913.7780 -109782.9632 298.3492 -161696.7412 -109416.2116 298.2554 185.7316 216.0161 760336.8733 2.5729 2.6063 PRESSURE: 4354200 -24.3667 85.576 -1.93761 85.5761 -281.681 5.17924 -1.93678 5.17899 -84.4577 GPRESSURE: 4354200 38.7171 88.3726 -5.79 87.4512 -226.093 -55.8972 99.548 35.0908 -94.8951 PRESSAVG: 4354200 26.5998 2.24859 -18.952 2.24852 -19.3126 20.034 -18.952 20.034 -1.03485 GPRESSAVG: 4354200 28.6889 1.49638 -19.3284 3.18678 -20.5588 21.9872 -16.827 18.4761 -1.90463 TIMING: 4354200 CPU: 13769.4, 0.00318277/step Wall: 13769.4, 0.00318277/step, 0.570953 hours remaining, 237.636719 MB of memory in use. ENERGY: 4354200 3956.8944 20604.0021 14462.2877 263.1943 -203039.3856 2122.3782 0.0000 0.0000 51915.3561 -109715.2730 298.3583 -161630.6291 -109355.5287 297.8449 -130.1683 -94.0903 760548.0481 2.0841 2.0751 PRESSURE: 4354400 -246.065 -92.6687 121.555 -92.6688 -600.441 -26.0774 121.555 -26.0781 -255.89 GPRESSURE: 4354400 -247.898 -55.5074 133.159 -68.4786 -515.03 22.2916 86.8553 -31.671 -256.996 PRESSAVG: 4354400 -24.5779 15.9338 30.3543 15.9338 54.3378 -3.7813 30.3542 -3.78133 0.0496982 GPRESSAVG: 4354400 -24.069 17.5987 30.0543 17.2723 54.3641 -5.67184 28.9193 -2.2039 0.0829319 TIMING: 4354400 CPU: 13770.1, 0.00316042/step Wall: 13770.1, 0.00316042/step, 0.566769 hours remaining, 237.636719 MB of memory in use. ENERGY: 4354400 3965.3002 20469.5087 14574.5499 250.2216 -203334.3187 2195.5336 0.0000 0.0000 52124.9256 -109754.2791 299.5627 -161879.2047 -109384.0800 298.8708 -367.4655 -339.9743 761295.4034 9.9365 10.1260 PRESSURE: 4354600 -67.9637 -8.16679 133.719 -8.16728 -235.098 118.75 133.718 118.751 -345.124 GPRESSURE: 4354600 -106.324 -11.9676 60.9197 -44.3401 -90.0542 64.9549 209.881 99.5127 -394.02 PRESSAVG: 4354600 -15.061 -2.75258 38.4648 -2.75252 -14.4656 -28.8736 38.4648 -28.8736 -12.9343 GPRESSAVG: 4354600 -17.393 -3.39948 39.625 -2.58462 -13.2817 -28.4848 37.67 -29.235 -11.7687 TIMING: 4354600 CPU: 13770.7, 0.00314291/step Wall: 13770.7, 0.00314291/step, 0.563454 hours remaining, 237.636719 MB of memory in use. ENERGY: 4354600 3987.1990 20483.3973 14465.5649 260.5044 -203147.9795 2345.5418 0.0000 0.0000 51796.9159 -109808.8562 297.6776 -161605.7721 -109454.6528 298.4178 -216.0618 -196.7995 759807.4652 -14.1536 -14.1478 PRESSURE: 4354800 102.974 -27.0289 222.179 -27.0278 -386.528 19.292 222.18 19.291 -107.895 GPRESSURE: 4354800 8.78885 -64.4591 172.663 34.502 -221.032 -70.92 134.283 -13.2035 -72.5623 PRESSAVG: 4354800 -19.2329 10.1102 28.3163 10.1102 -2.29242 -22.0633 28.3163 -22.0633 -0.823084 GPRESSAVG: 4354800 -18.1677 11.0929 29.1807 9.59355 -2.39618 -22.9926 28.3103 -20.6227 -2.08202 TIMING: 4354800 CPU: 13771.3, 0.00314225/step Wall: 13771.3, 0.00314225/step, 0.563161 hours remaining, 237.636719 MB of memory in use. ENERGY: 4354800 3991.3786 20355.6970 14476.1009 255.4834 -203221.2784 2474.9957 0.0000 0.0000 52056.1222 -109611.5007 299.1672 -161667.6228 -109254.7622 298.7376 -130.4829 -94.9352 761603.3221 -7.4495 -7.5486 PRESSURE: 4355000 -46.8695 90.8935 59.8729 90.8937 115.356 -28.9009 59.8729 -28.9006 -175.404 GPRESSURE: 4355000 -0.346135 75.2264 44.1559 18.4126 81.8749 -13.4955 0.584128 -19.3179 -99.9477 PRESSAVG: 4355000 15.4835 31.0059 45.4589 31.0059 16.0776 31.7229 45.4589 31.7228 8.12243 GPRESSAVG: 4355000 13.7313 29.4765 43.6099 31.3074 16.6547 34.3739 46.1586 29.6425 9.35561 TIMING: 4355000 CPU: 13771.9, 0.00315014/step Wall: 13771.9, 0.00315014/step, 0.564399 hours remaining, 237.636719 MB of memory in use. ENERGY: 4355000 3991.4817 20372.2621 14563.1499 268.4774 -203426.4122 2760.9498 0.0000 0.0000 51937.0922 -109532.9991 298.4832 -161470.0913 -109174.9510 298.4890 -35.6390 -6.1397 761454.0866 13.2278 13.2472 PRESSURE: 4355200 -115.198 -229.207 -109.605 -229.208 254.813 -276.784 -109.603 -276.784 9.14856 GPRESSURE: 4355200 -93.5608 -295.755 -115.199 -141.393 331.128 -260.17 -153.959 -168.661 -8.64639 PRESSAVG: 4355200 -61.3325 16.4768 -10.6551 16.4768 51.2467 4.52195 -10.6551 4.52202 -8.94534 GPRESSAVG: 4355200 -59.2812 14.9701 -9.88068 17.7469 50.0161 1.46924 -10.8071 4.94921 -10.219 TIMING: 4355200 CPU: 13772.6, 0.00318272/step Wall: 13772.6, 0.00318272/step, 0.57006 hours remaining, 237.636719 MB of memory in use. ENERGY: 4355200 3965.6132 20402.1423 14548.7540 243.5689 -202955.1900 2391.0302 0.0000 0.0000 52087.5972 -109316.4843 299.3481 -161404.0815 -108948.7627 299.1153 49.5880 76.3070 761956.5214 -6.3437 -6.4947 PRESSURE: 4355400 78.5361 101.001 149.949 101.001 292.882 -112.671 149.949 -112.672 17.8355 GPRESSURE: 4355400 214.205 77.4366 45.3949 158.275 235.972 -61.0749 233.589 -177.079 25.2361 PRESSAVG: 4355400 -52.2985 -1.4311 -29.8657 -1.43112 75.1425 -3.66358 -29.8658 -3.66352 -10.8968 GPRESSAVG: 4355400 -52.7958 0.376336 -31.4421 -3.04239 75.2616 -1.06797 -29.3851 -4.45076 -10.4997 TIMING: 4355400 CPU: 13773.2, 0.00316091/step Wall: 13773.2, 0.00316091/step, 0.565978 hours remaining, 237.636719 MB of memory in use. ENERGY: 4355400 3941.4535 20743.1815 14485.2056 260.8601 -204097.9707 3086.1919 0.0000 0.0000 52218.3857 -109362.6923 300.0998 -161581.0781 -109004.1411 299.9901 129.7513 158.4708 760215.2038 3.9824 3.9887 PRESSURE: 4355600 116.575 -36.2506 -41.2983 -36.2502 -157.362 320.395 -41.2982 320.396 262.265 GPRESSURE: 4355600 135.566 -40.9308 4.25494 11.4219 -130.281 312.343 57.2746 225.089 295.312 PRESSAVG: 4355600 -106.727 54.8978 -60.9897 54.8978 75.69 -9.19452 -60.9897 -9.19449 -6.61963 GPRESSAVG: 4355600 -106.298 52.7602 -60.1042 56.2632 75.5475 -11.3119 -63.3873 -9.20999 -6.58211 TIMING: 4355600 CPU: 13773.8, 0.003145/step Wall: 13773.8, 0.003145/step, 0.562956 hours remaining, 237.636719 MB of memory in use. ENERGY: 4355600 4011.2057 20514.5724 14535.2115 244.8891 -203771.8172 2791.1667 0.0000 0.0000 52179.4865 -109495.2852 299.8762 -161674.7718 -109136.9502 299.6572 73.8263 100.1992 760257.2186 -12.5521 -12.4441 PRESSURE: 4355800 -227.012 -3.06233 -155.045 -3.06313 -70.7067 62.8944 -155.046 62.8946 106.392 GPRESSURE: 4355800 -174.241 -65.4721 -136.396 -14.9761 -45.0343 157.934 -164.347 78.1409 117.231 PRESSAVG: 4355800 -45.9344 19.4751 -62.0479 19.4752 -9.36819 20.8918 -62.0479 20.8917 -1.75857 GPRESSAVG: 4355800 -44.8199 22.8352 -62.4724 15.8788 -10.2775 23.8646 -59.3343 20.3499 -2.04085 TIMING: 4355800 CPU: 13774.5, 0.00316735/step Wall: 13774.5, 0.00316735/step, 0.56678 hours remaining, 237.636719 MB of memory in use. ENERGY: 4355800 4033.7700 20419.5841 14584.0617 236.7192 -203546.8460 2743.1475 0.0000 0.0000 52004.1386 -109525.4250 298.8685 -161529.5636 -109163.6766 299.0054 -63.7753 -34.0147 761080.7518 -19.0204 -19.0461 PRESSURE: 4356000 -110.777 -138.702 -150.937 -138.701 63.5722 -243.85 -150.937 -243.851 308.792 GPRESSURE: 4356000 -11.9421 -89.0824 -94.122 -77.6851 128.43 -151.218 -106.238 -204.353 244.517 PRESSAVG: 4356000 -23.3423 11.7863 -2.78986 11.7863 12.7138 4.66888 -2.78991 4.66881 6.53807 GPRESSAVG: 4356000 -25.0402 11.1773 -2.70184 13.7071 14.5198 2.55854 -3.7589 7.06196 6.56478 TIMING: 4356000 CPU: 13775.1, 0.00317251/step Wall: 13775.1, 0.00317251/step, 0.567527 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: 4356000 3971.6814 20640.2253 14527.8589 235.5825 -203756.2198 2820.2934 0.0000 0.0000 52158.4439 -109402.1344 299.7553 -161560.5783 -109038.4810 299.1588 87.1958 120.3349 761740.9245 -1.3635 -1.3185 PRESSURE: 4356200 116.381 -210.571 67.0943 -210.572 120.567 131.251 67.094 131.25 -36.4771 GPRESSURE: 4356200 126.588 -334.533 70.8724 -210.212 175.559 142.913 92.0347 107.365 -20.0156 PRESSAVG: 4356200 59.7625 30.8381 23.5014 30.838 -29.6053 31.671 23.5015 31.671 22.2601 GPRESSAVG: 4356200 59.754 30.6393 23.8447 29.8861 -31.6835 31.6732 23.4091 30.3841 23.429 TIMING: 4356200 CPU: 13775.7, 0.00317494/step Wall: 13775.7, 0.00317494/step, 0.567784 hours remaining, 237.636719 MB of memory in use. ENERGY: 4356200 3985.0386 20599.8183 14577.0333 244.7753 -203585.3064 2780.1232 0.0000 0.0000 52079.1551 -109319.3627 299.2996 -161398.5179 -108965.3573 299.7384 66.8236 94.0439 761412.3608 17.4724 17.1665 LDB: ============= START OF LOAD BALANCING ============== 13788.3 LDB: ============== END OF LOAD BALANCING =============== 13788.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13788.3 LDB: ============= START OF LOAD BALANCING ============== 13788.6 LDB: Largest compute 7032 load 0.034974 is 17.9% of average load 0.195645 LDB: Average compute 0.004404 is 2.3% of average load 0.195645 LDB: TIME 13788.6 LOAD: AVG 0.195645 MAX 0.218211 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.156 MB LDB: TIME 13788.6 LOAD: AVG 0.195645 MAX 0.218211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 13788.6 LOAD: AVG 0.195645 MAX 0.218211 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 13788.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13788.6 PRESSURE: 4356400 205.14 56.0815 170.075 56.0814 366.674 355.319 170.076 355.318 -177.073 GPRESSURE: 4356400 298.45 117.308 147.127 -9.52482 377.203 411.149 109.599 206.776 -186.231 PRESSAVG: 4356400 49.8925 -8.98705 20.9242 -8.98707 -1.57283 26.3488 20.9242 26.3488 5.62623 GPRESSAVG: 4356400 48.4168 -10.5135 19.7394 -8.28994 0.113999 27.2805 21.4641 24.7963 5.39865 TIMING: 4356400 CPU: 13776.4, 0.00323795/step Wall: 13776.4, 0.00323795/step, 0.578874 hours remaining, 235.359375 MB of memory in use. ENERGY: 4356400 3980.2725 20490.5025 14541.5456 243.8475 -203753.3452 2907.0919 0.0000 0.0000 52045.1961 -109544.8892 299.1045 -161590.0853 -109184.9698 299.6909 131.5801 163.1407 761907.0008 17.9820 17.9765 PRESSURE: 4356600 -33.0517 -147.206 -62.5095 -147.206 -209.571 27.3154 -62.5091 27.3161 12.779 GPRESSURE: 4356600 -28.3737 -157.528 -61.4729 -32.0725 -140.586 -26.7153 -98.8377 57.235 12.7715 PRESSAVG: 4356600 -16.0058 -82.406 1.52244 -82.4061 45.7641 31.0559 1.52239 31.0559 -26.2105 GPRESSAVG: 4356600 -14.654 -80.6903 2.99938 -81.2439 44.6974 30.2137 0.365701 31.3536 -26.5106 TIMING: 4356600 CPU: 13777, 0.00320328/step Wall: 13777, 0.00320328/step, 0.572498 hours remaining, 235.601562 MB of memory in use. ENERGY: 4356600 3999.7724 20565.7100 14559.7638 247.9129 -203565.9449 2683.7566 0.0000 0.0000 51961.9053 -109547.1239 298.6258 -161509.0291 -109179.6694 299.3349 -76.6146 -52.0628 762357.1747 1.1826 1.1776 PRESSURE: 4356800 -139.001 -54.9983 -220.813 -54.9994 -68.8791 -160.708 -220.813 -160.707 182.189 GPRESSURE: 4356800 -24.8224 -32.8 -194.49 10.2374 -37.7473 -179.431 -99.5844 -94.8653 117.538 PRESSAVG: 4356800 -49.3867 -7.29632 -32.1112 -7.29633 23.3197 22.5329 -32.1112 22.5328 -7.42519 GPRESSAVG: 4356800 -48.6221 -6.03167 -31.6204 -9.93687 23.3973 24.1285 -30.9667 23.6798 -7.19023 TIMING: 4356800 CPU: 13777.7, 0.00318863/step Wall: 13777.7, 0.00318863/step, 0.569701 hours remaining, 235.601562 MB of memory in use. ENERGY: 4356800 3923.1782 20601.4283 14501.6451 248.3033 -203778.4673 2723.5478 0.0000 0.0000 51974.8499 -109805.5148 298.7002 -161780.3646 -109439.0207 298.9591 -8.5638 18.3226 761037.2945 -11.1641 -10.8050 PRESSURE: 4357000 252.693 -127.241 -95.5336 -127.242 268.911 144.228 -95.5343 144.228 42.193 GPRESSURE: 4357000 278.005 -159.375 -179.199 -10.4273 234.761 209.969 -166.329 130.603 118.564 PRESSAVG: 4357000 -1.71775 -67.3909 -58.5336 -67.3909 -6.04681 7.44866 -58.5335 7.44868 18.6432 GPRESSAVG: 4357000 -1.21499 -67.3826 -58.7673 -66.042 -6.37112 6.04305 -58.0684 6.66995 18.0273 TIMING: 4357000 CPU: 13778.3, 0.00315972/step Wall: 13778.3, 0.00315972/step, 0.564362 hours remaining, 235.601562 MB of memory in use. ENERGY: 4357000 4009.6593 20624.7693 14559.7390 232.9427 -203893.1770 2822.5669 0.0000 0.0000 51969.7363 -109673.7634 298.6708 -161643.4997 -109308.2293 298.8473 187.9325 210.4433 760589.1112 3.6262 3.4804 PRESSURE: 4357200 57.2539 24.4052 94.6981 24.405 -174.365 127.869 94.6975 127.87 -14.3253 GPRESSURE: 4357200 116.482 65.3468 93.3951 27.0224 -200.305 201.63 51.5425 235.769 29.3201 PRESSAVG: 4357200 2.46394 -58.092 14.2528 -58.0921 -39.0465 6.46397 14.2528 6.46406 -4.50062 GPRESSAVG: 4357200 2.42503 -59.9067 13.6994 -57.3995 -39.3984 6.52729 13.3675 4.82773 -4.48722 TIMING: 4357200 CPU: 13778.9, 0.00314293/step Wall: 13778.9, 0.00314293/step, 0.561188 hours remaining, 235.601562 MB of memory in use. ENERGY: 4357200 4078.5296 20615.7584 14495.7160 248.5028 -203543.0081 2512.8862 0.0000 0.0000 51848.0766 -109743.5385 297.9716 -161591.6151 -109382.1201 299.1275 -43.8122 -18.1675 761640.2666 -13.6944 -13.8202 PRESSURE: 4357400 -91.8413 -33.3219 27.7803 -33.3216 50.691 -105.43 27.7802 -105.43 -27.0364 GPRESSURE: 4357400 -72.9517 44.051 1.13562 -5.23477 68.3292 -115.563 102.587 -13.0616 26.6059 PRESSAVG: 4357400 -9.57321 -29.7868 0.0672497 -29.7867 33.2273 -5.55396 0.0672444 -5.55405 6.66071 GPRESSAVG: 4357400 -8.9101 -29.3539 -1.87823 -29.2427 32.9332 -5.80529 -0.380687 -3.40786 6.45842 TIMING: 4357400 CPU: 13779.6, 0.00315802/step Wall: 13779.6, 0.00315802/step, 0.563706 hours remaining, 235.601562 MB of memory in use. ENERGY: 4357400 4001.4497 20824.3514 14479.7490 262.3099 -203735.2010 2491.2342 0.0000 0.0000 51827.4952 -109848.6116 297.8533 -161676.1067 -109489.0646 299.0109 -22.7289 7.3278 761291.8469 10.1049 10.1605 PRESSURE: 4357600 323.638 -37.2221 115.754 -37.2224 45.9468 34.7378 115.754 34.7373 183.056 GPRESSURE: 4357600 375.771 41.8956 20.7562 -77.6856 152.537 66.705 133.199 64.6273 120.189 PRESSAVG: 4357600 -12.3592 -30.737 73.2045 -30.7369 -1.37733 39.5634 73.2045 39.5633 -1.30295 GPRESSAVG: 4357600 -13.1202 -29.2311 74.1032 -32.9558 -1.63451 39.0856 75.4947 37.4266 -0.31336 TIMING: 4357600 CPU: 13780.2, 0.00317601/step Wall: 13780.2, 0.00317601/step, 0.56674 hours remaining, 235.601562 MB of memory in use. ENERGY: 4357600 4026.6025 20595.3378 14447.1597 253.5001 -204084.3362 2961.5528 0.0000 0.0000 51913.6995 -109886.4838 298.3487 -161800.1833 -109538.2163 298.8596 184.2135 216.1658 760467.1588 -5.0132 -5.0227 PRESSURE: 4357800 -274.716 -81.5883 -105.6 -81.5881 305.257 -80.59 -105.6 -80.5897 227.894 GPRESSURE: 4357800 -206.109 -94.894 -58.506 -108.763 352.615 -105.299 -222.31 -123.669 209.622 PRESSAVG: 4357800 -10.0112 5.5731 39.626 5.57312 31.9087 11.9052 39.6261 11.9053 0.897186 GPRESSAVG: 4357800 -9.38415 5.05359 38.9248 7.6461 31.3864 13.2426 36.7223 11.8341 0.320505 TIMING: 4357800 CPU: 13780.8, 0.00317142/step Wall: 13780.8, 0.00317142/step, 0.565745 hours remaining, 235.667969 MB of memory in use. ENERGY: 4357800 3912.7507 20751.4109 14612.6454 256.4854 -203811.0832 2703.8067 0.0000 0.0000 51959.5909 -109614.3931 298.6125 -161573.9840 -109250.3313 298.8228 86.1450 118.7091 760868.4029 7.5982 7.4409 PRESSURE: 4358000 181.328 168.977 178.277 168.979 69.1379 177.922 178.277 177.921 -115.454 GPRESSURE: 4358000 202.034 191.98 141.43 131.61 67.8762 161.803 94.5878 148.149 -42.4617 PRESSAVG: 4358000 -5.81468 -58.5241 -24.1942 -58.5241 38.4183 -3.03243 -24.1942 -3.03237 7.76052 GPRESSAVG: 4358000 -6.56167 -60.2065 -25.4802 -58.6212 38.6452 -2.66872 -21.3511 -3.43629 8.42917 TIMING: 4358000 CPU: 13781.5, 0.00315595/step Wall: 13781.5, 0.00315595/step, 0.56281 hours remaining, 235.667969 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: 4358000 4021.0279 20520.3349 14559.1759 237.3886 -203773.9415 2719.5505 0.0000 0.0000 52065.9342 -109650.5294 299.2236 -161716.4636 -109292.6674 299.3154 45.0039 75.8163 761424.7871 13.4547 13.5042 PRESSURE: 4358200 82.9502 -206.151 -19.681 -206.152 65.7093 -92.9024 -19.6813 -92.9027 -459.283 GPRESSURE: 4358200 52.333 -305.187 -49.7459 -145.954 65.5934 -162.376 58.0236 -66.3712 -354.949 PRESSAVG: 4358200 15.2004 -18.5592 -41.0942 -18.5592 -0.701123 -24.2052 -41.0942 -24.2052 2.15257 GPRESSAVG: 4358200 14.8477 -20.1884 -37.9701 -17.4449 0.716617 -27.3622 -43.5192 -22.0122 1.60252 TIMING: 4358200 CPU: 13782.1, 0.00315494/step Wall: 13782.1, 0.00315494/step, 0.562456 hours remaining, 235.667969 MB of memory in use. ENERGY: 4358200 4003.7963 20568.5435 14511.7726 234.6316 -203733.5406 2609.2314 0.0000 0.0000 52030.3376 -109775.2277 299.0191 -161805.5653 -109410.6905 299.0524 -103.5411 -79.0075 762686.8028 5.5506 5.7223 PRESSURE: 4358400 234.253 -125.954 60.1335 -125.954 103.901 38.488 60.1337 38.488 91.8549 GPRESSURE: 4358400 219.783 -76.8458 0.682552 -11.4604 192.232 33.6903 83.9707 141.568 96.4401 PRESSAVG: 4358400 -49.835 -59.3311 -4.20749 -59.3312 26.0203 -6.61818 -4.20747 -6.61814 9.13086 GPRESSAVG: 4358400 -49.4674 -57.9399 -5.88271 -60.7716 25.6426 -5.09235 -3.40059 -8.17594 9.30129 TIMING: 4358400 CPU: 13782.7, 0.0031538/step Wall: 13782.7, 0.0031538/step, 0.562078 hours remaining, 235.667969 MB of memory in use. ENERGY: 4358400 3975.8433 20426.9051 14467.5660 263.8553 -203802.5965 2817.0417 0.0000 0.0000 52052.6154 -109798.7696 299.1471 -161851.3851 -109434.0610 298.6513 143.3362 169.4851 761716.5551 -4.8946 -4.8412 PRESSURE: 4358600 -283.271 105.616 -64.3154 105.616 -13.1816 -259.855 -64.3156 -259.856 -303.021 GPRESSURE: 4358600 -219.517 153.061 -115.258 109.234 -26.9367 -276.93 -196.119 -241.184 -259.531 PRESSAVG: 4358600 -4.37875 -40.8287 -52.1692 -40.8288 -11.536 35.9679 -52.1692 35.9678 -21.2632 GPRESSAVG: 4358600 -3.66923 -40.5579 -51.178 -41.0089 -13.1232 35.6154 -51.6175 35.1649 -21.0388 TIMING: 4358600 CPU: 13783.4, 0.00316168/step Wall: 13783.4, 0.00316168/step, 0.563306 hours remaining, 235.667969 MB of memory in use. ENERGY: 4358600 4064.2305 20430.7463 14430.2576 248.2600 -203272.7722 2645.0320 0.0000 0.0000 51869.3624 -109584.8835 298.0939 -161454.2459 -109217.3544 298.5664 -199.8245 -168.6614 763859.9821 -12.3926 -12.6104 PRESSURE: 4358800 90.215 -89.2787 72.5531 -89.2793 -98.6948 -5.98617 72.5526 -5.98638 56.7137 GPRESSURE: 4358800 86.6459 -25.564 82.2225 -106.744 -138.526 31.1351 35.8686 29.9647 187.232 PRESSAVG: 4358800 -4.23124 -108.675 6.56296 -108.675 -4.2642 -30.6967 6.56292 -30.6967 13.4007 GPRESSAVG: 4358800 -5.28318 -108.422 6.05578 -107.329 -3.12621 -30.8816 5.82446 -25.9033 13.0183 TIMING: 4358800 CPU: 13784, 0.00316943/step Wall: 13784, 0.00316943/step, 0.56451 hours remaining, 235.667969 MB of memory in use. ENERGY: 4358800 4036.8482 20713.6880 14477.3329 246.0771 -203841.2717 2798.8990 0.0000 0.0000 51924.4659 -109643.9605 298.4106 -161568.4264 -109279.4427 298.7724 16.0780 45.1171 761679.9453 1.6351 1.5363 PRESSURE: 4359000 -130.442 -109.426 -107.537 -109.426 58.8202 -48.3931 -107.537 -48.3936 219.22 GPRESSURE: 4359000 -54.571 -183.676 -80.8633 -129.7 66.8318 -6.2242 -23.7952 -141.481 234.579 PRESSAVG: 4359000 -57.3878 -54.5053 4.16685 -54.5052 46.7289 -33.7652 4.16679 -33.7652 -2.42506 GPRESSAVG: 4359000 -55.6223 -54.2216 3.47608 -55.2659 46.604 -31.4881 4.76292 -38.9713 -3.98959 TIMING: 4359000 CPU: 13784.6, 0.00316122/step Wall: 13784.6, 0.00316122/step, 0.562873 hours remaining, 235.667969 MB of memory in use. ENERGY: 4359000 3984.0347 20612.5743 14492.2923 233.2242 -203618.1661 2636.9788 0.0000 0.0000 51982.2120 -109676.8497 298.7425 -161659.0617 -109318.8964 299.0017 49.1994 82.2800 762580.5157 -4.3613 -4.3360 PRESSURE: 4359200 165.364 -19.6347 33.0686 -19.6351 -216.771 134.847 33.0681 134.848 215.766 GPRESSURE: 4359200 178.266 -11.3874 -9.49528 40.7232 -209.109 44.2975 31.4535 219.2 260.7 PRESSAVG: 4359200 77.6498 -3.1501 -21.1126 -3.15005 6.31389 18.5887 -21.1126 18.5887 -1.86756 GPRESSAVG: 4359200 76.6268 -5.16682 -20.8626 -2.87686 5.16473 17.346 -20.7323 22.0469 -0.563065 TIMING: 4359200 CPU: 13785.3, 0.00314628/step Wall: 13785.3, 0.00314628/step, 0.560038 hours remaining, 235.667969 MB of memory in use. ENERGY: 4359200 3957.8701 20454.8000 14499.5113 246.6688 -203483.6741 2578.0346 0.0000 0.0000 52180.1731 -109566.6162 299.8802 -161746.7893 -109203.9084 299.3167 54.7865 76.6190 761763.3547 27.3654 27.0761 PRESSURE: 4359400 184.967 -68.5574 253.603 -68.5567 17.5266 11.7879 253.603 11.787 175.362 GPRESSURE: 4359400 225.553 5.51397 308.051 -31.7909 40.4318 54.3662 246.521 66.9066 203.611 PRESSAVG: 4359400 17.8245 -19.7284 -26.7683 -19.7284 0.170234 59.1359 -26.7684 59.1359 -4.48752 GPRESSAVG: 4359400 18.1514 -19.4108 -25.806 -19.8638 0.515555 58.2908 -27.7224 59.6842 -4.96298 TIMING: 4359400 CPU: 13785.9, 0.00314441/step Wall: 13785.9, 0.00314441/step, 0.559531 hours remaining, 235.667969 MB of memory in use. ENERGY: 4359400 3959.0238 20421.5651 14434.4299 247.7377 -203615.0613 2845.6059 0.0000 0.0000 52020.1556 -109686.5433 298.9605 -161706.6989 -109319.6411 298.7188 125.9520 156.5318 763781.8387 4.5024 4.5680 PRESSURE: 4359600 -177.345 183.876 -15.0935 183.876 -500.58 105.6 -15.0933 105.6 -52.2607 GPRESSURE: 4359600 -99.5011 133.769 71.0987 148.639 -411.783 88.5211 -24.1592 142.324 -115.485 PRESSAVG: 4359600 48.9784 -19.6355 50.6948 -19.6354 -54.5406 8.52744 50.6949 8.52739 -13.7356 GPRESSAVG: 4359600 48.3176 -17.9319 50.5815 -18.8407 -53.9998 11.2068 51.5076 6.83997 -13.8113 TIMING: 4359600 CPU: 13786.5, 0.00315951/step Wall: 13786.5, 0.00315951/step, 0.562042 hours remaining, 235.667969 MB of memory in use. ENERGY: 4359600 4058.1271 20524.1361 14517.7241 227.6098 -203708.2991 2747.0764 0.0000 0.0000 52154.1451 -109479.4805 299.7306 -161633.6256 -109116.5081 298.9733 -243.3954 -208.9231 762250.3154 -6.4326 -6.4979 PRESSURE: 4359800 -192.158 -164.423 52.8943 -164.422 76.392 166.023 52.8953 166.023 -229.458 GPRESSURE: 4359800 -111.804 -200.708 24.2286 -103.895 69.8398 199.109 207.592 68.8137 -215.583 PRESSAVG: 4359800 1.56393 -11.2974 -38.9273 -11.2973 -48.4832 -13.638 -38.9273 -13.6379 -27.0877 GPRESSAVG: 4359800 0.910165 -12.9292 -39.6889 -10.6841 -48.3379 -13.2955 -38.6251 -14.2089 -26.5635 TIMING: 4359800 CPU: 13787.1, 0.00315331/step Wall: 13787.1, 0.00315331/step, 0.560764 hours remaining, 235.667969 MB of memory in use. ENERGY: 4359800 4015.6677 20648.0373 14467.9396 241.1447 -203706.6060 2827.2249 0.0000 0.0000 52001.1886 -109505.4033 298.8515 -161506.5919 -109146.6138 299.3994 -115.0747 -85.8491 760668.9704 -24.6690 -24.6637 PRESSURE: 4360000 81.4293 83.5773 56.3611 83.5777 295.755 138.948 56.3606 138.949 33.0235 GPRESSURE: 4360000 41.7758 23.2 15.2335 12.9456 372.91 98.7347 207.535 105.614 87.2321 PRESSAVG: 4360000 2.21875 -18.745 4.38062 -18.745 26.0272 14.9754 4.38066 14.9755 -11.4546 GPRESSAVG: 4360000 3.68731 -19.0243 4.26145 -20.6082 25.0196 12.0159 4.58668 15.5844 -12.1285 TIMING: 4360000 CPU: 13787.8, 0.00314792/step Wall: 13787.8, 0.00314792/step, 0.559631 hours remaining, 235.667969 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: 4360000 4014.1852 20529.3069 14479.7502 240.2662 -203793.7323 2854.6253 0.0000 0.0000 52078.9400 -109596.6586 299.2984 -161675.5986 -109232.1087 299.7066 136.7359 167.3060 760033.9320 5.5971 5.5261 PRESSURE: 4360200 30.2687 -67.6429 14.3678 -67.6429 98.9217 -25.3435 14.3684 -25.3439 -64.2427 GPRESSURE: 4360200 15.2338 -10.105 29.6453 -5.09993 248.129 -53.2103 19.6937 -46.4979 -107.181 PRESSAVG: 4360200 30.0218 19.9017 35.0699 19.9017 -68.1877 -61.1535 35.0699 -61.1535 -2.61107 GPRESSAVG: 4360200 29.2078 22.3285 36.1085 19.7308 -67.9495 -59.3571 34.3946 -61.219 -1.94657 TIMING: 4360200 CPU: 13788.4, 0.00315463/step Wall: 13788.4, 0.00315463/step, 0.560647 hours remaining, 235.667969 MB of memory in use. ENERGY: 4360200 4070.2526 20678.0634 14425.4536 241.3087 -203803.4198 2771.7111 0.0000 0.0000 52227.1835 -109389.4469 300.1503 -161616.6303 -109033.7950 299.2872 21.6492 52.0605 761712.4207 -13.5923 -13.5628 LDB: ============= START OF LOAD BALANCING ============== 13800.9 LDB: ============== END OF LOAD BALANCING =============== 13800.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13800.9 LDB: ============= START OF LOAD BALANCING ============== 13801.3 LDB: Largest compute 7032 load 0.034361 is 17.6% of average load 0.195742 LDB: Average compute 0.004373 is 2.2% of average load 0.195742 LDB: TIME 13801.3 LOAD: AVG 0.195742 MAX 0.217326 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.938 MB LDB: TIME 13801.3 LOAD: AVG 0.195742 MAX 0.217326 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.012 MB LDB: TIME 13801.3 LOAD: AVG 0.195742 MAX 0.217326 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.012 MB LDB: ============== END OF LOAD BALANCING =============== 13801.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13801.3 PRESSURE: 4360400 177.673 -9.29294 -12.3339 -9.29396 -225.066 41.514 -12.3335 41.5141 98.0801 GPRESSURE: 4360400 170.397 100.408 -32.6513 119.544 -212.213 -33.7175 -134.077 -38.0715 183.1 PRESSAVG: 4360400 39.4067 13.1603 -7.70949 13.1603 -8.17326 13.9572 -7.70948 13.9572 21.0288 GPRESSAVG: 4360400 39.4056 12.7986 -8.45044 13.5836 -7.64063 13.5961 -8.14587 14.3002 20.272 TIMING: 4360400 CPU: 13789.1, 0.0032172/step Wall: 13789.1, 0.00321719/step, 0.571588 hours remaining, 234.917969 MB of memory in use. ENERGY: 4360400 4005.5404 20677.8140 14444.8325 250.8681 -203386.3106 2594.3412 0.0000 0.0000 51994.1971 -109418.7173 298.8114 -161412.9144 -109067.0260 299.4457 16.8958 47.0945 762059.6336 17.4207 17.3456 PRESSURE: 4360600 -180.797 18.6714 205.071 18.6705 474.471 114.379 205.07 114.379 254.654 GPRESSURE: 4360600 -128.575 -9.58527 232.317 7.45953 430.748 159.617 156.636 124.091 329.716 PRESSAVG: 4360600 -17.6202 63.547 3.37907 63.5469 -19.2363 21.8227 3.3791 21.8228 6.444 GPRESSAVG: 4360600 -16.2796 61.7541 2.85725 63.5742 -19.988 20.9163 4.76336 20.6224 6.09648 TIMING: 4360600 CPU: 13789.7, 0.00316009/step Wall: 13789.7, 0.00316009/step, 0.561266 hours remaining, 235.160156 MB of memory in use. ENERGY: 4360600 3954.4466 20599.5636 14527.1437 244.6583 -203157.2100 2466.7790 0.0000 0.0000 52002.6227 -109361.9961 298.8598 -161364.6189 -108990.0344 299.0714 182.7761 210.6296 761062.5372 -10.1375 -10.0571 PRESSURE: 4360800 -9.7404 189.294 110.069 189.293 -272.981 -143.915 110.069 -143.915 6.66445 GPRESSURE: 4360800 52.8264 194.813 161.357 212.489 -216.696 -90.1863 22.6493 234.237 -21.7639 PRESSAVG: 4360800 11.1911 59.9482 38.8796 59.9482 63.1307 36.724 38.8796 36.724 9.85004 GPRESSAVG: 4360800 10.3026 59.3629 40.7836 61.1794 62.8708 37.6149 36.7518 39.383 10.7529 TIMING: 4360800 CPU: 13790.3, 0.00314937/step Wall: 13790.3, 0.00314937/step, 0.559188 hours remaining, 235.160156 MB of memory in use. ENERGY: 4360800 3994.7596 20713.8724 14417.1899 260.7722 -203782.2456 2729.2369 0.0000 0.0000 52233.7137 -109432.7009 300.1879 -161666.4145 -109073.5035 299.9858 -92.0188 -61.8778 760818.4219 28.0573 27.9754 PRESSURE: 4361000 119.72 -99.226 48.4455 -99.2247 -108.768 -18.1886 48.4455 -18.1879 35.2014 GPRESSURE: 4361000 64.8637 -144.026 21.6813 -67.5051 -21.3428 -70.8097 -85.4131 -71.686 105.772 PRESSAVG: 4361000 -20.0988 -15.8649 11.2736 -15.8649 41.8348 -12.6066 11.2736 -12.6067 -9.15917 GPRESSAVG: 4361000 -21.3488 -13.3604 10.3915 -17.6354 42.6212 -9.98385 12.3436 -14.0192 -8.94564 TIMING: 4361000 CPU: 13790.9, 0.00315349/step Wall: 13790.9, 0.00315349/step, 0.559744 hours remaining, 235.160156 MB of memory in use. ENERGY: 4361000 4008.9226 20619.3356 14488.3934 239.8388 -203569.9306 2889.2013 0.0000 0.0000 52107.3797 -109216.8591 299.4618 -161324.2388 -108846.9626 299.8837 15.3846 49.7641 761930.4724 4.1923 4.1089 PRESSURE: 4361200 -179.183 74.3035 76.1112 74.303 -20.3074 100.514 76.1111 100.514 27.4029 GPRESSURE: 4361200 -63.3117 6.46644 64.8747 -25.1947 -67.3847 28.6396 154.204 94.5813 41.7266 PRESSAVG: 4361200 -57.0237 -44.01 12.702 -44.01 59.9361 60.3641 12.7019 60.364 7.65796 GPRESSAVG: 4361200 -57.5193 -44.8728 13.3743 -44.4013 60.6872 57.7046 13.995 60.7382 7.74319 TIMING: 4361200 CPU: 13791.6, 0.00316588/step Wall: 13791.6, 0.00316588/step, 0.561769 hours remaining, 235.363281 MB of memory in use. ENERGY: 4361200 3992.4115 20667.0521 14497.4878 251.9449 -203506.4019 2675.0726 0.0000 0.0000 52098.8179 -109323.6152 299.4126 -161422.4331 -108965.7650 300.1357 -57.3626 -29.6566 761936.9027 3.5235 3.6371 PRESSURE: 4361400 -103.694 153.799 -158.131 153.798 122.888 -40.5888 -158.131 -40.5882 58.9399 GPRESSURE: 4361400 -10.1627 65.3893 -146.565 -6.3768 75.3802 -118.966 -217.684 -87.7312 72.4256 PRESSAVG: 4361400 -19.0098 -47.851 46.397 -47.851 -16.6265 22.8632 46.3969 22.8633 8.48271 GPRESSAVG: 4361400 -17.2103 -48.0534 44.6111 -49.4211 -18.0067 23.9756 45.802 21.6907 8.58776 TIMING: 4361400 CPU: 13792.2, 0.00314972/step Wall: 13792.2, 0.00314972/step, 0.558725 hours remaining, 235.363281 MB of memory in use. ENERGY: 4361400 4004.9229 20631.0984 14468.7677 246.9208 -203603.5071 2793.6904 0.0000 0.0000 52057.4410 -109400.6658 299.1748 -161458.1068 -109027.1510 299.8513 26.0446 45.8810 761293.6456 -9.0512 -8.8764 PRESSURE: 4361600 -429.477 81.8091 62.5096 81.8082 -65.3493 68.1437 62.5085 68.1423 -124.161 GPRESSURE: 4361600 -379.206 -16.3752 -0.63556 85.2292 -26.6455 57.6481 75.4805 37.3776 -117.348 PRESSAVG: 4361600 -10.8818 -43.0592 25.5725 -43.0592 -16.9655 18.2995 25.5725 18.2996 2.56981 GPRESSAVG: 4361600 -9.80187 -45.9917 25.1017 -41.211 -17.3001 18.2119 23.5092 19.8745 1.86817 TIMING: 4361600 CPU: 13792.8, 0.00316138/step Wall: 13792.8, 0.00316138/step, 0.560618 hours remaining, 235.363281 MB of memory in use. ENERGY: 4361600 4019.0269 20611.7824 14473.2766 251.3069 -203710.4062 2903.5315 0.0000 0.0000 52161.9168 -109289.5650 299.7753 -161451.4818 -108929.8426 299.8643 -206.3292 -174.3997 762038.8271 -8.4258 -8.4113 PRESSURE: 4361800 137.088 -30.2431 245.14 -30.2438 -27.5037 98.9051 245.14 98.9036 263.708 GPRESSURE: 4361800 87.1148 95.1436 296.875 -47.9298 145.088 108.677 76.8254 129.168 214.515 PRESSAVG: 4361800 6.03601 -13.2644 23.7919 -13.2644 -68.2061 15.5632 23.7918 15.5632 -0.800991 GPRESSAVG: 4361800 4.30351 -10.2557 24.9525 -13.0846 -66.549 14.2608 23.2508 14.1766 -1.01173 TIMING: 4361800 CPU: 13793.5, 0.0031559/step Wall: 13793.5, 0.00315589/step, 0.55947 hours remaining, 235.363281 MB of memory in use. ENERGY: 4361800 3933.6237 20715.0760 14604.9609 242.1031 -203590.1277 2728.9809 0.0000 0.0000 52160.5152 -109204.8679 299.7672 -161365.3831 -108844.3912 299.6936 124.4308 148.9059 762459.9846 -20.9903 -21.0857 PRESSURE: 4362000 -206.358 30.4965 -101.749 30.4962 -159.061 209.59 -101.749 209.59 -431.408 GPRESSURE: 4362000 -143.893 38.8978 46.5516 -63.4901 -254.842 172.319 -41.5848 186.772 -303.35 PRESSAVG: 4362000 -0.130755 -8.31324 33.9836 -8.31324 3.23709 -6.57607 33.9836 -6.57595 2.77497 GPRESSAVG: 4362000 0.989966 -8.30185 33.4923 -9.32715 1.71648 -6.40506 34.7541 -6.03761 3.54666 TIMING: 4362000 CPU: 13794.1, 0.0031548/step Wall: 13794.1, 0.0031548/step, 0.5591 hours remaining, 235.566406 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: 4362000 4037.0907 20417.7089 14492.5703 225.7470 -203583.6770 2534.6530 0.0000 0.0000 52518.6353 -109357.2718 301.8253 -161875.9071 -108983.4749 299.9175 -265.6088 -234.0285 761345.0105 1.9604 2.0844 PRESSURE: 4362200 63.8709 0.990055 92.2074 0.98893 -133.188 -161.187 92.2084 -161.187 -84.5172 GPRESSURE: 4362200 163.49 130.113 142.99 -4.05916 -154.97 -126.384 31.6297 -111.288 -94.0457 PRESSAVG: 4362200 2.15423 -31.3762 31.2723 -31.3762 8.01123 -23.4255 31.2722 -23.4255 11.5142 GPRESSAVG: 4362200 1.04235 -31.6793 33.215 -29.926 7.84137 -23.5695 31.5632 -23.7284 12.2909 TIMING: 4362200 CPU: 13794.7, 0.00317198/step Wall: 13794.7, 0.00317198/step, 0.561968 hours remaining, 235.566406 MB of memory in use. ENERGY: 4362200 4058.9386 20712.8945 14564.4102 257.3691 -203993.8109 3000.9936 0.0000 0.0000 52033.4786 -109365.7264 299.0371 -161399.2050 -109000.8231 299.7290 -51.2781 -28.5084 761030.4022 7.2266 7.0582 PRESSURE: 4362400 -300.483 -77.6437 132.405 -77.6435 118.736 144.619 132.405 144.618 9.14864 GPRESSURE: 4362400 -228.13 -87.4885 293.559 6.35517 53.7804 153.298 20.8085 148.858 81.9329 PRESSAVG: 4362400 -13.5893 -9.39313 9.34023 -9.39315 27.0695 -39.5986 9.34018 -39.5987 1.79884 GPRESSAVG: 4362400 -12.0402 -9.38285 7.06467 -13.5598 27.0321 -38.528 9.8966 -38.5654 0.671071 TIMING: 4362400 CPU: 13795.4, 0.00317491/step Wall: 13795.4, 0.00317491/step, 0.562312 hours remaining, 235.566406 MB of memory in use. ENERGY: 4362400 3977.9883 20589.4388 14518.6266 268.3624 -203646.6502 2853.3915 0.0000 0.0000 52131.5693 -109307.2733 299.6008 -161438.8426 -108949.5670 299.4895 -57.5328 -30.8056 762539.5051 5.0930 5.2210 PRESSURE: 4362600 -102.912 -214.776 92.1272 -214.776 -219.218 -148.669 92.1266 -148.669 132.75 GPRESSURE: 4362600 -149.562 -137.728 2.23814 -197.49 -68.2708 -219.856 -113.759 -263.282 116.725 PRESSAVG: 4362600 -55.5448 -66.4857 -4.23556 -66.4857 60.3672 5.68974 -4.23551 5.68973 11.6607 GPRESSAVG: 4362600 -56.6815 -66.7014 -4.23294 -62.6275 61.5288 5.66781 -6.26402 3.71332 12.0665 TIMING: 4362600 CPU: 13796, 0.0031677/step Wall: 13796, 0.0031677/step, 0.560859 hours remaining, 235.566406 MB of memory in use. ENERGY: 4362600 3990.8044 20600.7423 14548.3383 251.4312 -203292.7288 2486.1891 0.0000 0.0000 52299.9141 -109115.3094 300.5683 -161415.2234 -108755.7873 299.9749 -63.1265 -33.7028 762322.8326 5.4944 5.6380 PRESSURE: 4362800 -73.3472 -107.246 -18.8434 -107.245 -521.832 23.7353 -18.8435 23.7354 177.626 GPRESSURE: 4362800 -73.0888 -195.202 -11.709 -127.267 -562.781 -37.4491 -97.3735 -32.4346 306.76 PRESSAVG: 4362800 19.3613 -10.1906 -14.9305 -10.1906 -1.19465 -19.7247 -14.9305 -19.7248 -26.8415 GPRESSAVG: 4362800 19.801 -10.1501 -14.7957 -11.0655 -3.07061 -19.6938 -12.0611 -17.9773 -25.6499 TIMING: 4362800 CPU: 13796.6, 0.00315144/step Wall: 13796.6, 0.00315144/step, 0.557806 hours remaining, 235.566406 MB of memory in use. ENERGY: 4362800 3995.8218 20695.7096 14454.8581 257.1123 -202913.9483 2349.0957 0.0000 0.0000 52238.6588 -108922.6920 300.2163 -161161.3508 -108573.0362 299.6805 -139.1844 -109.7035 763276.7727 -2.8916 -2.9732 PRESSURE: 4363000 314.812 165.242 262.215 165.242 320.378 62.0123 262.214 62.0131 76.5112 GPRESSURE: 4363000 383.388 119.649 241.328 19.7239 351.519 106.175 253.602 17.9701 47.1104 PRESSAVG: 4363000 -24.707 -43.9179 36.2379 -43.918 8.07688 -18.9837 36.2379 -18.9837 10.0923 GPRESSAVG: 4363000 -24.1792 -42.5935 36.177 -46.0403 8.70953 -18.9045 33.53 -19.9984 8.94962 TIMING: 4363000 CPU: 13797.3, 0.00315306/step Wall: 13797.3, 0.00315306/step, 0.557916 hours remaining, 235.566406 MB of memory in use. ENERGY: 4363000 4012.8310 20638.0529 14512.8920 256.3326 -203347.6147 2721.4511 0.0000 0.0000 52266.1230 -108939.9322 300.3741 -161206.0552 -108568.6238 299.9560 237.2337 260.6724 763981.5653 -2.1793 -2.1733 PRESSURE: 4363200 -231.116 -240.865 46.6402 -240.864 -66.8557 -160.729 46.6401 -160.729 -95.5797 GPRESSURE: 4363200 -130.542 -170.323 30.0592 -387.923 -46.6335 -251.105 121.322 -65.7539 -142.208 PRESSAVG: 4363200 -21.0167 -71.7582 -34.8606 -71.7582 36.4063 -16.7382 -34.8606 -16.7383 -8.72599 GPRESSAVG: 4363200 -21.5822 -73.4015 -34.7409 -69.4453 37.6209 -18.1119 -32.703 -15.2185 -9.4991 TIMING: 4363200 CPU: 13797.9, 0.00314916/step Wall: 13797.9, 0.00314916/step, 0.557052 hours remaining, 235.566406 MB of memory in use. ENERGY: 4363200 3992.1249 20596.1333 14464.1465 243.7017 -202864.0411 2488.1667 0.0000 0.0000 52051.0730 -109028.6950 299.1382 -161079.7680 -108659.5932 299.6911 -131.1838 -106.4611 765228.3252 2.2212 2.1799 PRESSURE: 4363400 -320.778 -203.652 14.1288 -203.652 28.8701 308.212 14.1285 308.211 -65.524 GPRESSURE: 4363400 -339.426 -231.104 -53.2055 -100.233 35.2879 170.646 100.817 283.834 9.80125 PRESSAVG: 4363400 -9.03065 -86.3706 -5.49359 -86.3706 36.0541 10.3774 -5.49352 10.3774 2.93514 GPRESSAVG: 4363400 -9.91405 -84.6547 -6.57755 -85.0985 35.1518 11.8201 -3.29512 9.11642 4.56218 TIMING: 4363400 CPU: 13798.5, 0.0031516/step Wall: 13798.5, 0.0031516/step, 0.557308 hours remaining, 235.566406 MB of memory in use. ENERGY: 4363400 4048.5023 20618.9852 14481.3687 263.4094 -202968.4788 2581.6964 0.0000 0.0000 52082.2483 -108892.2684 299.3174 -160974.5167 -108537.7900 299.9342 -119.1439 -98.1124 764789.3000 9.9862 9.9333 PRESSURE: 4363600 -338.47 -104.077 253.858 -104.077 128.882 -69.9206 253.858 -69.9212 207.739 GPRESSURE: 4363600 -286.1 -74.1483 175.066 -63.3419 148.013 -90.1305 224.971 101.661 225.97 PRESSAVG: 4363600 -63.2314 -36.3371 -8.64496 -36.3371 44.4357 36.5092 -8.64497 36.5092 -2.63646 GPRESSAVG: 4363600 -61.5879 -38.7764 -7.92254 -37.1308 44.2395 36.6138 -13.6713 37.8921 -3.64343 TIMING: 4363600 CPU: 13799.2, 0.00315175/step Wall: 13799.2, 0.00315175/step, 0.55716 hours remaining, 235.566406 MB of memory in use. ENERGY: 4363600 4066.6235 20614.1496 14518.3929 236.5612 -203406.1493 2879.8343 0.0000 0.0000 52187.5564 -108903.0313 299.9226 -161090.5877 -108551.0593 300.1877 -0.6167 29.2946 763590.2509 -7.1440 -6.9973 PRESSURE: 4363800 -162.571 -132.557 225.986 -132.556 -92.9441 -120.895 225.986 -120.895 -157.453 GPRESSURE: 4363800 -70.9177 -73.6127 148.677 -46.2857 -68.2109 -153.183 158.68 -15.9429 -174.345 PRESSAVG: 4363800 -33.3898 -79.9056 2.34453 -79.9056 50.9728 2.17989 2.3445 2.17986 -8.18415 GPRESSAVG: 4363800 -33.6656 -79.5601 3.45082 -80.3658 50.2929 1.73842 5.03352 1.14404 -7.36902 TIMING: 4363800 CPU: 13799.8, 0.00316861/step Wall: 13799.8, 0.00316861/step, 0.559964 hours remaining, 235.566406 MB of memory in use. ENERGY: 4363800 3999.4722 20540.2385 14531.4540 273.6060 -202983.2991 2406.9222 0.0000 0.0000 52316.9696 -108914.6367 300.6663 -161231.6062 -108555.3341 300.3908 -137.6559 -104.4910 763178.5843 3.1329 3.0861 PRESSURE: 4364000 -169.811 87.2944 -260.339 87.2938 455.638 49.7572 -260.34 49.7565 402.351 GPRESSURE: 4364000 -109.419 264.282 -295.392 123.278 528.38 4.42325 -190.934 106.09 353.896 PRESSAVG: 4364000 -15.9096 -7.09627 1.62544 -7.09629 13.199 53.202 1.62544 53.202 6.37302 GPRESSAVG: 4364000 -16.2678 -5.56561 1.30763 -6.35915 14.246 53.8307 -0.832146 53.0258 5.61113 TIMING: 4364000 CPU: 13800.4, 0.00316722/step Wall: 13800.4, 0.00316722/step, 0.559543 hours remaining, 235.566406 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: 4364000 3910.3928 20574.4788 14534.9089 234.7847 -203191.0367 2793.9964 0.0000 0.0000 52287.3900 -108855.0852 300.4963 -161142.4752 -108485.8964 300.1950 229.3926 257.6187 761766.5187 1.2208 1.1964 PRESSURE: 4364200 -375.916 -28.228 -85.5232 -28.2279 186.326 -118.68 -85.5235 -118.68 225.725 GPRESSURE: 4364200 -242.383 -7.98456 -113.907 -7.7626 127.075 -66.2874 -56.852 -120.467 222.785 PRESSAVG: 4364200 3.80355 0.702527 -31.4447 0.702509 50.0075 -1.74003 -31.4447 -1.73999 -15.8556 GPRESSAVG: 4364200 2.65569 0.226295 -30.8693 1.88203 49.4909 -2.38998 -30.1534 0.688854 -14.1094 TIMING: 4364200 CPU: 13801.1, 0.00316133/step Wall: 13801.1, 0.00316133/step, 0.558325 hours remaining, 235.566406 MB of memory in use. ENERGY: 4364200 3927.7202 20496.0122 14497.7371 242.2561 -202908.4593 2428.7714 0.0000 0.0000 52392.8125 -108923.1498 301.1022 -161315.9623 -108549.9368 300.4961 12.0452 35.8256 762241.6237 12.6518 12.6790 LDB: ============= START OF LOAD BALANCING ============== 13813.6 LDB: ============== END OF LOAD BALANCING =============== 13813.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13813.6 LDB: ============= START OF LOAD BALANCING ============== 13813.9 LDB: Largest compute 7078 load 0.034884 is 17.8% of average load 0.195600 LDB: Average compute 0.004396 is 2.2% of average load 0.195600 LDB: TIME 13813.9 LOAD: AVG 0.1956 MAX 0.216252 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.844 MB LDB: TIME 13813.9 LOAD: AVG 0.1956 MAX 0.216252 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: TIME 13813.9 LOAD: AVG 0.1956 MAX 0.216252 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: ============== END OF LOAD BALANCING =============== 13813.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13813.9 PRESSURE: 4364400 -153.4 212.105 -128.996 212.104 -169.283 61.159 -128.995 61.1578 23.1558 GPRESSURE: 4364400 -68.3543 112.183 -152.956 216.628 -171.32 103.647 -267.455 -79.3724 14.8391 PRESSAVG: 4364400 -97.7965 -3.51681 -3.26053 -3.51684 70.1835 -30.7737 -3.26057 -30.7738 6.16701 GPRESSAVG: 4364400 -97.266 -4.78821 -3.66588 -5.58166 70.345 -29.964 -4.31529 -31.8474 5.01597 TIMING: 4364400 CPU: 13801.7, 0.00325073/step Wall: 13801.7, 0.00325073/step, 0.573934 hours remaining, 236.734375 MB of memory in use. ENERGY: 4364400 3969.9682 20716.8630 14555.1143 236.8604 -203141.6666 2495.9948 0.0000 0.0000 52313.2056 -108853.6602 300.6447 -161166.8658 -108483.6740 300.6295 -99.8425 -74.9450 763849.4546 -7.1486 -7.3017 PRESSURE: 4364600 -238.627 -96.7561 -136.652 -96.7559 63.5474 154.048 -136.652 154.048 494.935 GPRESSURE: 4364600 -99.8205 -154.812 -31.7694 -55.3863 27.958 160.328 -97.0216 68.1438 490.39 PRESSAVG: 4364600 -24.8067 -55.8922 -4.13434 -55.8922 53.156 -19.6539 -4.13437 -19.6539 8.93434 GPRESSAVG: 4364600 -24.5116 -54.6779 -2.59346 -55.8756 52.7902 -20.2056 -2.78893 -22.328 9.91566 TIMING: 4364600 CPU: 13802.3, 0.00317702/step Wall: 13802.3, 0.00317702/step, 0.560745 hours remaining, 236.804688 MB of memory in use. ENERGY: 4364600 4023.2994 20524.9537 14507.6532 238.4043 -203518.1488 2862.0104 0.0000 0.0000 52619.5192 -108742.3085 302.4051 -161361.8278 -108371.6032 300.9313 106.6186 139.5093 761368.1250 12.4279 12.7314 PRESSURE: 4364800 -57.4075 100.008 -59.348 100.007 -260.675 112.513 -59.3483 112.516 -363.627 GPRESSURE: 4364800 -49.8737 135.728 -118.678 23.5247 -209.84 70.1548 -1.82725 48.9964 -326.67 PRESSAVG: 4364800 -55.3588 14.5642 36.7721 14.5642 57.2713 12.147 36.7721 12.147 8.42762 GPRESSAVG: 4364800 -55.9345 15.3833 33.3095 15.5323 59.7083 12.6582 36.1753 13.4646 7.08864 TIMING: 4364800 CPU: 13803, 0.00318227/step Wall: 13803, 0.00318227/step, 0.561494 hours remaining, 237.062500 MB of memory in use. ENERGY: 4364800 4036.0514 20626.6667 14581.1803 251.5134 -202916.7502 2514.3966 0.0000 0.0000 52126.5338 -108780.4079 299.5719 -160906.9417 -108426.0197 300.8477 -227.2367 -195.4614 763033.3552 3.4467 3.6208 PRESSURE: 4365000 -199.997 22.9065 111.87 22.9069 65.9807 26.3198 111.871 26.3189 -249.287 GPRESSURE: 4365000 -127.953 -19.8126 140.448 33.3357 16.1208 83.7521 123.277 127.441 -174.191 PRESSAVG: 4365000 -10.9484 -36.4243 42.274 -36.4244 -4.83947 7.34917 42.2739 7.34907 -2.89983 GPRESSAVG: 4365000 -11.2779 -37.081 44.6097 -39.285 -6.50102 7.20836 42.505 7.76316 -0.808836 TIMING: 4365000 CPU: 13803.6, 0.00319561/step Wall: 13803.6, 0.00319561/step, 0.56367 hours remaining, 237.062500 MB of memory in use. ENERGY: 4365000 4070.4235 20530.3529 14535.3603 263.1818 -203239.5705 2493.9716 0.0000 0.0000 52479.5666 -108866.7138 301.6008 -161346.2804 -108516.9009 300.7104 -127.7681 -95.3409 762512.7832 -6.2292 -6.1959 PRESSURE: 4365200 139.313 -106.947 -73.982 -106.949 -260.643 131.987 -73.9822 131.987 -435.434 GPRESSURE: 4365200 201.409 -81.7023 -70.6695 -4.107 -255.749 78.1059 23.2714 113.926 -419.315 PRESSAVG: 4365200 30.4895 -9.03876 61.4636 -9.03872 -4.29452 11.3692 61.4636 11.3692 -2.41718 GPRESSAVG: 4365200 31.7018 -9.99914 62.1192 -6.83791 -4.30729 9.32747 59.2199 10.4018 -3.39516 TIMING: 4365200 CPU: 13804.3, 0.00321027/step Wall: 13804.3, 0.00321027/step, 0.566078 hours remaining, 237.062500 MB of memory in use. ENERGY: 4365200 4041.2240 20881.2466 14473.6553 240.7963 -202976.5046 2398.9992 0.0000 0.0000 52117.0822 -108823.5010 299.5176 -160940.5832 -108465.8000 300.5391 -185.5881 -157.8849 762790.9071 7.9259 7.9998 PRESSURE: 4365400 -361.879 -109.691 -39.489 -109.691 -209.332 267.099 -39.4886 267.098 158.118 GPRESSURE: 4365400 -324.97 -42.9318 -14.2236 -28.5225 -174.013 216.541 -137.901 327.912 140.023 PRESSAVG: 4365400 17.9465 -0.513617 4.23097 -0.513569 -11.7375 16.4971 4.23095 16.4971 1.59299 GPRESSAVG: 4365400 17.4362 1.20716 3.99532 -2.05142 -10.9064 18.0628 5.28997 15.281 1.42255 TIMING: 4365400 CPU: 13804.9, 0.00316403/step Wall: 13804.9, 0.00316403/step, 0.557748 hours remaining, 237.062500 MB of memory in use. ENERGY: 4365400 3997.1255 20669.5638 14458.6219 260.1387 -203190.5613 2706.7849 0.0000 0.0000 52248.8878 -108849.4387 300.2751 -161098.3265 -108490.7364 300.7338 -137.6976 -119.6534 762192.3680 2.6007 2.6508 PRESSURE: 4365600 -209.303 233.74 89.9249 233.74 -176.969 330.796 89.9244 330.795 82.1409 GPRESSURE: 4365600 -154.703 128.763 110.585 279.216 -132.741 263.288 12.0548 325.153 67.0746 PRESSAVG: 4365600 30.7961 16.3006 1.52126 16.3005 27.8681 30.591 1.52125 30.5911 8.4978 GPRESSAVG: 4365600 32.1676 15.596 -0.296214 16.8568 27.0263 28.8244 2.76476 32.027 8.38722 TIMING: 4365600 CPU: 13805.5, 0.00316459/step Wall: 13805.5, 0.00316459/step, 0.557671 hours remaining, 237.062500 MB of memory in use. ENERGY: 4365600 4044.0342 20609.9654 14482.3754 247.0169 -203219.1131 2682.2016 0.0000 0.0000 52464.5405 -108688.9791 301.5144 -161153.5196 -108321.8537 300.7136 -101.3769 -73.4566 762418.1250 22.3873 22.5270 PRESSURE: 4365800 -544.877 209.702 181.426 209.701 -436.774 48.1744 181.427 48.1743 -511.472 GPRESSURE: 4365800 -544.238 119.243 214.405 215.694 -399.601 116.329 79.3854 -23.8203 -449.9 PRESSAVG: 4365800 -14.4632 -12.0635 37.1838 -12.0635 4.51059 -6.74449 37.1839 -6.74448 -27.924 GPRESSAVG: 4365800 -15.4837 -13.2983 37.5714 -10.5057 5.71439 -5.69712 33.7583 -7.60864 -27.5 TIMING: 4365800 CPU: 13806.2, 0.00315648/step Wall: 13806.2, 0.00315648/step, 0.556066 hours remaining, 237.062500 MB of memory in use. ENERGY: 4365800 4078.4794 20646.1899 14465.8579 254.2007 -202724.2246 2330.5507 0.0000 0.0000 51914.9611 -109033.9849 298.3560 -160948.9461 -108672.7015 300.5345 -497.7079 -464.5797 764011.8605 -12.6256 -12.4231 PRESSURE: 4366000 135.964 -52.2067 228.716 -52.2064 -292.604 97.0089 228.715 97.0086 -74.1671 GPRESSURE: 4366000 70.7572 84.2039 136.928 -10.8373 -159.441 123.935 234.871 37.1178 -74.1678 PRESSAVG: 4366000 21.9417 42.6986 11.5848 42.6986 -35.4345 -2.68239 11.5847 -2.68244 -16.2512 GPRESSAVG: 4366000 21.6312 44.3269 12.1447 41.2205 -35.2004 -1.55426 12.7864 -2.86753 -15.8002 TIMING: 4366000 CPU: 13806.8, 0.00315265/step Wall: 13806.8, 0.00315265/step, 0.555217 hours remaining, 237.062500 MB of memory 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 4038.6046 20640.5404 14413.1024 250.7448 -203237.2807 2694.3848 0.0000 0.0000 52148.0514 -109051.8523 299.6956 -161199.9037 -108696.7605 299.7933 -76.9357 -54.2838 762501.3817 -9.9147 -9.7898 PRESSURE: 4366200 -33.891 -18.941 -149.65 -18.9411 -269.676 91.81 -149.65 91.8107 -7.31482 GPRESSURE: 4366200 35.5148 82.6066 -155.133 -2.43772 -248.783 65.5714 -140.005 83.3605 18.4622 PRESSAVG: 4366200 -30.2429 -38.891 8.61254 -38.891 -26.7073 -3.20004 8.61249 -3.20004 5.40728 GPRESSAVG: 4366200 -29.6214 -38.2461 10.2495 -39.0775 -27.7279 -3.76512 8.47705 -1.37669 5.67572 TIMING: 4366200 CPU: 13807.4, 0.00315989/step Wall: 13807.4, 0.00315989/step, 0.556317 hours remaining, 237.062500 MB of memory in use. ENERGY: 4366200 4068.2101 20520.9602 14465.4192 253.2685 -203148.8521 2395.3284 0.0000 0.0000 52405.0856 -109040.5801 301.1727 -161445.6657 -108682.7344 300.2941 -103.6274 -64.9354 762204.0495 -17.1810 -17.2245 PRESSURE: 4366400 -124.479 -71.6315 131.538 -71.6323 -157.911 -84.4998 131.539 -84.4991 -37.8315 GPRESSURE: 4366400 -27.9081 -69.1263 -14.1255 47.1961 -128.177 -33.9241 91.2311 -107.346 -87.8366 PRESSAVG: 4366400 23.1177 13.9949 4.05175 13.995 29.9489 23.7679 4.05175 23.7679 -3.90821 GPRESSAVG: 4366400 23.0697 12.8902 1.06049 14.3676 30.5833 22.8549 2.09276 23.2163 -4.22673 TIMING: 4366400 CPU: 13808.1, 0.00316398/step Wall: 13808.1, 0.00316398/step, 0.556861 hours remaining, 237.062500 MB of memory in use. ENERGY: 4366400 3986.1258 20579.4770 14462.5378 251.4117 -203454.7768 2702.7798 0.0000 0.0000 52407.9545 -109064.4902 301.1892 -161472.4447 -108701.4271 300.0660 -106.7406 -81.3071 761633.2726 16.3862 16.4754 PRESSURE: 4366600 -102.928 135.466 60.2635 135.466 -12.784 151.453 60.2637 151.453 -298.88 GPRESSURE: 4366600 -58.0804 19.7121 60.4762 -24.4678 -31.1625 122.239 -6.23728 203.602 -243.552 PRESSAVG: 4366600 -44.048 26.3404 16.8594 26.3404 65.5937 47.1188 16.8594 47.1188 12.7183 GPRESSAVG: 4366600 -44.2232 26.8336 17.2631 24.5186 66.0529 47.6125 19.9102 46.229 12.6534 TIMING: 4366600 CPU: 13808.7, 0.00317062/step Wall: 13808.7, 0.00317062/step, 0.557852 hours remaining, 237.062500 MB of memory in use. ENERGY: 4366600 3994.5795 20648.9941 14508.4374 243.8872 -203639.6569 2769.7084 0.0000 0.0000 52392.4502 -109081.6001 301.1001 -161474.0503 -108709.5090 300.4994 -138.1976 -110.9315 761773.2312 11.4213 11.4944 PRESSURE: 4366800 -465.652 163.172 13.181 163.172 -365.227 -45.8919 13.1798 -45.8911 -386.779 GPRESSURE: 4366800 -410.58 230.512 22.5456 176.956 -394.962 99.5915 -25.5755 -192.834 -343.907 PRESSAVG: 4366800 35.2827 -8.72155 11.0385 -8.72152 -52.6245 11.9283 11.0386 11.9284 16.3788 GPRESSAVG: 4366800 35.8471 -8.84086 11.3401 -5.44626 -53.0157 13.5321 10.7994 11.5361 16.5741 TIMING: 4366800 CPU: 13809.3, 0.00316067/step Wall: 13809.3, 0.00316067/step, 0.555927 hours remaining, 237.062500 MB of memory in use. ENERGY: 4366800 3944.7166 20670.1843 14448.1497 240.5015 -202957.9406 2465.2815 0.0000 0.0000 52049.2722 -109139.8348 299.1279 -161189.1070 -108771.9506 299.6623 -405.8862 -383.1497 763527.0477 -0.3210 -0.1982 PRESSURE: 4367000 271.285 34.4037 -221.529 34.405 3.13868 -77.1717 -221.529 -77.1706 -356.656 GPRESSURE: 4367000 380.384 -9.78933 -237.318 153.384 14.1062 -95.5502 -133.937 -12.2037 -375.855 PRESSAVG: 4367000 53.6233 -28.339 -8.01867 -28.3389 -53.1873 29.5027 -8.01862 29.5026 9.69405 GPRESSAVG: 4367000 53.6554 -27.7935 -7.83244 -29.8785 -53.1209 28.2217 -9.52473 29.7836 9.75846 TIMING: 4367000 CPU: 13809.9, 0.00315221/step Wall: 13809.9, 0.00315221/step, 0.554264 hours remaining, 237.062500 MB of memory in use. ENERGY: 4367000 4002.5894 20544.6367 14468.1980 251.7794 -203029.1651 2644.9611 0.0000 0.0000 52084.2522 -109032.7484 299.3289 -161117.0005 -108669.9843 299.4200 -27.4107 6.2117 762462.7292 3.3767 3.4310 PRESSURE: 4367200 -176.806 -130.642 38.8585 -130.642 -28.6792 208.757 38.858 208.757 -284.278 GPRESSURE: 4367200 -133.422 -144.23 53.7509 -169.209 7.51934 216.886 94.8266 338.134 -254.612 PRESSAVG: 4367200 -12.572 -19.558 23.5183 -19.558 -32.9254 1.60428 23.5183 1.60437 -18.2568 GPRESSAVG: 4367200 -13.4163 -20.7419 23.3064 -19.6568 -32.3595 1.27262 24.4325 2.09805 -18.0109 TIMING: 4367200 CPU: 13810.6, 0.00317555/step Wall: 13810.6, 0.00317555/step, 0.558191 hours remaining, 237.062500 MB of memory in use. ENERGY: 4367200 4023.6778 20455.1497 14452.6107 259.5618 -202881.4777 2409.3246 0.0000 0.0000 52034.4877 -109246.6655 299.0429 -161281.1532 -108890.9309 299.2835 -163.2541 -126.8381 763062.2060 -21.2514 -21.2622 PRESSURE: 4367400 -158.387 34.2614 29.1548 34.2616 110.286 -210.499 29.1538 -210.499 -181.785 GPRESSURE: 4367400 -114.762 -45.6253 7.29183 62.9629 115.639 -126.932 27.7944 -41.4564 -140.008 PRESSAVG: 4367400 -4.56802 -10.8472 -50.2346 -10.8473 2.09744 13.0029 -50.2345 13.0028 23.803 GPRESSAVG: 4367400 -2.62698 -9.97334 -49.4515 -12.6844 0.307704 14.5204 -51.1246 11.6231 23.1531 TIMING: 4367400 CPU: 13811.2, 0.00316006/step Wall: 13811.2, 0.00316006/step, 0.555292 hours remaining, 237.062500 MB of memory in use. ENERGY: 4367400 3942.2848 20533.2222 14446.4007 246.8254 -203247.6897 2616.1116 0.0000 0.0000 52268.8121 -109194.0329 300.3896 -161462.8450 -108833.2941 299.4384 -76.6284 -46.3771 761726.2056 7.1108 6.9446 PRESSURE: 4367600 -187.796 51.3141 275.203 51.3137 221.829 86.8787 275.203 86.8799 77.1573 GPRESSURE: 4367600 -23.96 29.1417 234.509 -20.4607 84.5535 27.7737 261.354 -36.2611 128.923 PRESSAVG: 4367600 12.411 -3.53952 1.21807 -3.53961 6.44858 48.81 1.21803 48.8099 26.0904 GPRESSAVG: 4367600 10.5329 -3.73642 1.18414 -0.214268 7.48072 47.8686 2.10117 47.9765 26.8413 TIMING: 4367600 CPU: 13811.8, 0.00316349/step Wall: 13811.8, 0.00316349/step, 0.55572 hours remaining, 237.062500 MB of memory in use. ENERGY: 4367600 4007.1564 20588.8058 14487.2191 246.5393 -203537.2377 2815.8316 0.0000 0.0000 52394.6035 -108997.0819 301.1125 -161391.6854 -108629.3657 299.8386 37.0633 63.1723 761161.0522 14.9833 14.9516 PRESSURE: 4367800 -170.731 -89.6471 -182.989 -89.6473 -37.0291 203.88 -182.99 203.879 -67.1582 GPRESSURE: 4367800 -179.061 -136.947 -152.801 -105.556 16.568 127.411 -13.6022 142.584 -32.8512 PRESSAVG: 4367800 -23.3192 -22.7215 2.98868 -22.7215 31.955 0.667948 2.98864 0.668011 -30.459 GPRESSAVG: 4367800 -21.8646 -22.9789 4.03716 -22.2699 32.0683 -0.622839 2.95313 1.88858 -31.3834 TIMING: 4367800 CPU: 13812.5, 0.00313905/step Wall: 13812.5, 0.00313905/step, 0.551252 hours remaining, 237.062500 MB of memory in use. ENERGY: 4367800 3982.0542 20545.4537 14538.9833 256.0714 -203303.1277 2521.6816 0.0000 0.0000 52245.7622 -109213.1213 300.2571 -161458.8835 -108845.0649 300.1898 -91.6393 -65.1149 761621.9648 -7.2744 -7.0599 PRESSURE: 4368000 -182.226 58.3826 -3.07441 58.3836 17.8844 -51.6089 -3.07387 -51.6094 -19.5719 GPRESSURE: 4368000 -128.565 40.0831 4.51725 30.804 94.7459 -64.4427 -34.2174 23.6779 -81.8838 PRESSAVG: 4368000 21.3969 -49.7678 2.06623 -49.7678 10.7509 16.2521 2.06626 16.2521 30.6275 GPRESSAVG: 4368000 21.4496 -49.2763 1.14305 -51.2765 10.1857 18.5305 2.23822 15.1724 31.3297 TIMING: 4368000 CPU: 13813.1, 0.0031365/step Wall: 13813.1, 0.0031365/step, 0.55063 hours remaining, 237.062500 MB of memory 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 3946.1595 20602.0415 14477.4854 255.1281 -203187.4743 2546.7253 0.0000 0.0000 52310.6903 -109049.2442 300.6303 -161359.9345 -108684.1608 300.3184 -61.3046 -38.5677 761271.2635 20.9251 20.9883 PRESSURE: 4368200 167.789 212.794 -79.1964 212.793 -170.628 99.3658 -79.1964 99.3658 -39.3429 GPRESSURE: 4368200 167.46 162.1 23.8998 103.371 -105.733 111.383 -139.15 101.804 -24.2719 PRESSAVG: 4368200 -20.1029 21.0366 -4.6849 21.0366 0.637475 -5.97509 -4.68499 -5.97507 4.3703 GPRESSAVG: 4368200 -20.5861 21.7942 -4.32156 21.1807 2.02346 -7.08344 -5.38255 -5.30006 3.36855 TIMING: 4368200 CPU: 13813.7, 0.00314416/step Wall: 13813.7, 0.00314416/step, 0.5518 hours remaining, 237.062500 MB of memory in use. ENERGY: 4368200 3970.9019 20573.4982 14468.7008 237.9973 -203090.3496 2668.9987 0.0000 0.0000 52123.2330 -109047.0196 299.5529 -161170.2527 -108681.4130 300.3256 -14.0606 12.4850 761385.1066 -5.0317 -5.0647 LDB: ============= START OF LOAD BALANCING ============== 13826.3 LDB: ============== END OF LOAD BALANCING =============== 13826.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13826.3 LDB: ============= START OF LOAD BALANCING ============== 13826.6 LDB: Largest compute 7078 load 0.033184 is 17.0% of average load 0.195621 LDB: Average compute 0.004407 is 2.3% of average load 0.195621 LDB: TIME 13826.6 LOAD: AVG 0.195621 MAX 0.21434 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 13826.6 LOAD: AVG 0.195621 MAX 0.21434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 13826.6 LOAD: AVG 0.195621 MAX 0.21434 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 13826.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13826.6 PRESSURE: 4368400 40.3028 -171.425 -126.863 -171.425 -150.244 184.082 -126.863 184.081 -390.752 GPRESSURE: 4368400 87.196 -74.6705 -79.4187 -215.989 -110.407 167.119 -132.67 112.865 -380.518 PRESSAVG: 4368400 52.9827 -43.5889 10.1426 -43.5889 -56.1437 16.9084 10.1427 16.9085 -6.72023 GPRESSAVG: 4368400 53.8947 -42.1232 8.38069 -45.6794 -57.6399 16.9789 11.6133 17.1197 -6.32259 TIMING: 4368400 CPU: 13814.4, 0.00323157/step Wall: 13814.4, 0.00323157/step, 0.566961 hours remaining, 235.449219 MB of memory in use. ENERGY: 4368400 4046.7092 20426.8586 14542.9424 251.7774 -202980.5910 2642.9751 0.0000 0.0000 52170.2128 -108899.1155 299.8229 -161069.3283 -108532.0016 300.0312 -166.8979 -134.5764 762196.0824 -3.2938 -3.3559 PRESSURE: 4368600 -9.83386 2.78384 21.5803 2.78389 -35.1204 363.756 21.5809 363.755 66.4888 GPRESSURE: 4368600 46.443 -3.96833 27.7407 -85.5322 38.0159 304.332 8.47662 330.276 47.842 PRESSAVG: 4368600 0.97823 1.05446 -11.8576 1.05443 41.0834 39.9613 -11.8576 39.9612 -1.33995 GPRESSAVG: 4368600 0.772948 -1.77449 -9.85281 4.08637 41.7867 40.2449 -13.4709 39.1804 -1.58191 TIMING: 4368600 CPU: 13815, 0.00315961/step Wall: 13815, 0.00315961/step, 0.554161 hours remaining, 235.894531 MB of memory in use. ENERGY: 4368600 4007.1360 20419.5709 14486.0611 241.4198 -202811.6853 2458.3290 0.0000 0.0000 52268.5787 -108930.5898 300.3882 -161199.1684 -108565.5082 300.1264 7.1782 44.1003 762381.6319 13.5739 13.6593 PRESSURE: 4368800 55.0853 77.8994 -16.7189 77.8993 305.106 38.5994 -16.7191 38.599 72.2474 GPRESSURE: 4368800 72.4793 -46.91 -119.832 14.1347 323.968 77.5942 0.136103 76.055 117.713 PRESSAVG: 4368800 -25.371 5.87731 -16.5176 5.87738 4.3604 68.0595 -16.5175 68.0595 -2.46026 GPRESSAVG: 4368800 -25.3625 6.71161 -18.1839 3.05857 3.66297 66.9009 -14.2319 67.9586 -1.65697 TIMING: 4368800 CPU: 13815.6, 0.00316905/step Wall: 13815.6, 0.00316905/step, 0.555641 hours remaining, 235.894531 MB of memory in use. ENERGY: 4368800 3943.4176 20584.3667 14577.2401 248.0359 -203160.8143 2717.9598 0.0000 0.0000 52106.3249 -108983.4694 299.4558 -161089.7943 -108620.2383 300.0658 144.1463 171.3867 762308.1356 -7.8236 -7.7855 PRESSURE: 4369000 52.6966 -87.5864 49.7901 -87.5862 -129.734 128.074 49.7904 128.075 -59.0476 GPRESSURE: 4369000 114.789 35.5723 51.9869 -130.731 -125.19 143.578 47.4336 156.589 -40.0666 PRESSAVG: 4369000 15.1628 -1.86883 26.7843 -1.86888 4.32837 31.585 26.7843 31.585 6.11373 GPRESSAVG: 4369000 14.9043 -0.337146 27.5119 -1.88783 5.14973 32.1735 25.3781 31.7236 4.42669 TIMING: 4369000 CPU: 13816.3, 0.00314949/step Wall: 13816.3, 0.00314949/step, 0.552036 hours remaining, 235.894531 MB of memory in use. ENERGY: 4369000 3938.7642 20516.8092 14475.0574 241.3629 -202914.0947 2541.2472 0.0000 0.0000 52051.9493 -109148.9044 299.1433 -161200.8537 -108785.1449 299.4513 -45.3616 -16.8224 764203.9661 8.5350 8.1602 PRESSURE: 4369200 -168.903 21.2924 -116.662 21.2927 -231.74 73.3592 -116.662 73.3588 -239.465 GPRESSURE: 4369200 -54.0933 90.1043 5.25296 20.3995 -188.394 82.905 -143.802 100.616 -292.986 PRESSAVG: 4369200 14.2832 -33.1255 52.3081 -33.1256 1.91394 0.986942 52.3082 0.986921 18.2238 GPRESSAVG: 4369200 13.4902 -34.4186 53.5532 -31.6512 2.75121 1.17177 51.0492 2.67873 18.3922 TIMING: 4369200 CPU: 13816.9, 0.0031595/step Wall: 13816.9, 0.0031595/step, 0.553615 hours remaining, 235.894531 MB of memory in use. ENERGY: 4369200 4043.2608 20545.1770 14526.2491 245.8103 -203057.2829 2507.1014 0.0000 0.0000 52209.1823 -108980.5020 300.0469 -161189.6843 -108621.3675 299.4767 -213.3692 -178.4913 762842.5166 11.4736 11.5446 PRESSURE: 4369400 -138.125 -53.1079 243.15 -53.1075 162.843 120.725 243.15 120.726 21.832 GPRESSURE: 4369400 -100.144 -5.34572 212.559 -157.111 197.275 209.209 202.171 -11.0752 20.5314 PRESSAVG: 4369400 22.1076 -9.72066 18.4259 -9.72068 -5.60558 0.420262 18.4259 0.420312 0.291349 GPRESSAVG: 4369400 22.738 -9.62019 16.7652 -10.0001 -6.4877 1.44938 18.9652 -1.5976 0.2576 TIMING: 4369400 CPU: 13817.5, 0.00317059/step Wall: 13817.5, 0.00317059/step, 0.555382 hours remaining, 235.894531 MB of memory in use. ENERGY: 4369400 4024.3501 20494.6501 14472.7843 238.2178 -203498.5211 3069.0050 0.0000 0.0000 52116.7319 -109082.7818 299.5156 -161199.5137 -108711.4848 300.1243 15.5168 39.2210 761690.1506 5.5978 5.5027 PRESSURE: 4369600 138.783 22.7247 -68.8453 22.7247 87.7317 83.2396 -68.8446 83.2396 -73.1057 GPRESSURE: 4369600 174.073 -24.179 -71.774 34.2997 54.701 169.989 -24.9198 109.971 -5.22491 PRESSAVG: 4369600 41.0424 -72.2724 26.5311 -72.2725 -36.0062 8.35697 26.5311 8.35705 -4.21345 GPRESSAVG: 4369600 40.6282 -72.0522 26.714 -71.8196 -36.4423 7.75975 26.8573 9.3189 -3.10164 TIMING: 4369600 CPU: 13818.2, 0.00317631/step Wall: 13818.2, 0.00317631/step, 0.556208 hours remaining, 235.894531 MB of memory in use. ENERGY: 4369600 3958.6688 20585.9618 14537.8245 249.2196 -203163.0612 2739.6401 0.0000 0.0000 52171.2443 -108920.5020 299.8289 -161091.7464 -108542.3915 299.7530 51.1364 74.5162 761831.7534 0.2742 0.3614 PRESSURE: 4369800 -273.162 22.5365 -52.6361 22.5367 193.876 275.628 -52.6375 275.628 -65.6911 GPRESSURE: 4369800 -241.673 41.4223 -52.6278 -23.48 222.602 297.168 -40.8267 433.078 -47.5895 PRESSAVG: 4369800 -48.5932 -8.35939 58.8364 -8.35939 74.1724 63.5726 58.8365 63.5726 -4.00993 GPRESSAVG: 4369800 -48.7904 -7.45407 58.3599 -9.34995 74.7571 62.9064 60.5635 64.4965 -3.72392 TIMING: 4369800 CPU: 13818.8, 0.00318592/step Wall: 13818.8, 0.00318592/step, 0.557713 hours remaining, 235.894531 MB of memory in use. ENERGY: 4369800 4060.9270 20347.5077 14537.9196 269.1160 -202989.8078 2666.7564 0.0000 0.0000 52110.9327 -108996.6484 299.4822 -161107.5811 -108623.8516 299.6086 -48.3255 -22.2203 763902.2787 7.1898 7.4143 PRESSURE: 4370000 189.667 -36.2941 -73.7767 -36.2945 -15.1539 -41.9754 -73.7756 -41.975 -179.068 GPRESSURE: 4370000 197.798 -44.4688 -168.906 -70.1455 48.5312 -3.45011 -49.6913 -70.2685 -148.189 PRESSAVG: 4370000 -32.2148 -1.63846 10.2797 -1.63845 24.6405 22.3493 10.2797 22.3492 29.0792 GPRESSAVG: 4370000 -31.9128 -2.54678 10.9664 -2.17543 25.1754 24.0524 8.54167 20.4487 27.6982 TIMING: 4370000 CPU: 13819.4, 0.0031738/step Wall: 13819.4, 0.0031738/step, 0.555416 hours remaining, 235.894531 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: 4370000 4027.4226 20328.5137 14521.9049 270.2412 -202985.2349 2800.9454 0.0000 0.0000 51948.6442 -109087.5628 298.5496 -161036.2070 -108726.4857 300.0513 -1.5181 32.7135 763094.1069 7.1683 6.9870 PRESSURE: 4370200 -53.1921 34.5581 74.9365 34.5576 134.799 113.111 74.9365 113.11 16.4284 GPRESSURE: 4370200 36.9531 90.8921 72.8512 114.079 88.4312 94.4689 4.85707 60.8683 59.8786 PRESSAVG: 4370200 -18.7686 -12.2352 49.2521 -12.2352 29.9829 -41.0228 49.2521 -41.0228 -16.7262 GPRESSAVG: 4370200 -18.1626 -14.7508 49.553 -9.83278 30.1264 -42.6876 47.8323 -40.835 -17.3896 TIMING: 4370200 CPU: 13820.1, 0.0031557/step Wall: 13820.1, 0.0031557/step, 0.552072 hours remaining, 235.894531 MB of memory in use. ENERGY: 4370200 3969.8608 20606.0407 14507.7595 230.1130 -202860.2950 2372.7457 0.0000 0.0000 52040.1105 -109133.6648 299.0752 -161173.7753 -108765.6283 299.7388 32.6783 61.7543 761184.0243 -1.8373 -1.8086 PRESSURE: 4370400 51.9023 -76.7778 16.8965 -76.7768 -76.9036 94.8898 16.8958 94.8894 146.416 GPRESSURE: 4370400 5.82761 -115.892 91.4138 -77.8187 -57.3304 -34.9307 -126.742 152.606 249.418 PRESSAVG: 4370400 -18.9732 -13.1878 -39.5248 -13.1878 17.1937 -60.9853 -39.5248 -60.9853 19.8108 GPRESSAVG: 4370400 -19.794 -10.8536 -41.2709 -14.6128 17.2157 -61.655 -38.9668 -59.7619 20.9511 TIMING: 4370400 CPU: 13820.7, 0.00317716/step Wall: 13820.7, 0.00317716/step, 0.55565 hours remaining, 235.894531 MB of memory in use. ENERGY: 4370400 3928.0238 20492.0581 14496.5199 257.4740 -203156.9882 2574.2294 0.0000 0.0000 52051.5209 -109357.1621 299.1408 -161408.6830 -108995.4899 299.8220 40.4715 65.9716 761936.1749 6.0104 6.1243 PRESSURE: 4370600 -199.115 145.063 -185.842 145.062 -201.881 -263.908 -185.841 -263.908 -54.4848 GPRESSURE: 4370600 -107.02 221.623 -149.038 22.1602 -237.342 -300.061 -145.084 -265.189 -29.6495 PRESSAVG: 4370600 -6.37623 -52.3784 -36.9666 -52.3784 -10.5077 -68.8837 -36.9666 -68.8838 -29.4971 GPRESSAVG: 4370600 -5.6784 -52.986 -36.2531 -51.6411 -11.5435 -68.4478 -37.1311 -70.6894 -29.2628 TIMING: 4370600 CPU: 13821.3, 0.00316009/step Wall: 13821.3, 0.00316009/step, 0.552489 hours remaining, 235.894531 MB of memory in use. ENERGY: 4370600 4047.9826 20487.2486 14497.7283 242.1608 -203115.0512 2442.3253 0.0000 0.0000 51831.2115 -109566.3941 297.8747 -161397.6056 -109215.3976 299.3481 -151.8271 -124.6704 763594.3557 -15.4604 -15.4949 PRESSURE: 4370800 -406.937 -145.433 31.0359 -145.432 -89.6251 -164.521 31.0369 -164.522 -113.214 GPRESSURE: 4370800 -306.76 -188.298 70.2399 30.8435 -97.295 -148.906 -8.23128 -80.9816 -129.73 PRESSAVG: 4370800 -28.3497 -27.7631 -42.5221 -27.7631 54.3046 -13.5491 -42.5221 -13.5491 16.6382 GPRESSAVG: 4370800 -28.7913 -28.9865 -41.8712 -26.878 55.102 -13.548 -41.1448 -12.7607 15.9015 TIMING: 4370800 CPU: 13822, 0.00313706/step Wall: 13822, 0.00313706/step, 0.548289 hours remaining, 235.894531 MB of memory in use. ENERGY: 4370800 3932.3028 20623.3448 14485.1314 244.9722 -202983.0119 2299.3905 0.0000 0.0000 51978.1472 -109419.7230 298.7191 -161397.8703 -109066.4103 298.6601 -203.2588 -177.9286 763233.8649 14.1977 14.0707 PRESSURE: 4371000 287.686 110.991 31.7082 110.991 128.49 138.677 31.7073 138.676 -252.783 GPRESSURE: 4371000 345.309 96.7732 101.233 90.9053 177.461 165.794 37.0464 102.855 -266.078 PRESSAVG: 4371000 -1.61973 7.20764 -21.8176 7.20769 38.1849 -7.62318 -21.8175 -7.62325 2.3094 GPRESSAVG: 4371000 -2.65597 8.47231 -22.8109 5.94557 38.3707 -7.67647 -21.1792 -7.78322 3.23672 TIMING: 4371000 CPU: 13822.6, 0.00315511/step Wall: 13822.6, 0.0031551/step, 0.551267 hours remaining, 235.894531 MB of memory in use. ENERGY: 4371000 4011.3227 20305.6281 14551.1583 252.7789 -203213.0869 2493.5355 0.0000 0.0000 52063.0786 -109535.5849 299.2072 -161598.6635 -109168.3226 298.7761 54.4642 85.5640 760376.5854 12.9582 12.9838 PRESSURE: 4371200 -153.643 82.8427 -5.77286 82.8429 -46.9447 -139.065 -5.77281 -139.065 87.8464 GPRESSURE: 4371200 -53.3238 149.16 54.9626 94.507 -21.6495 -53.9169 -130.036 -218.814 74.8003 PRESSAVG: 4371200 -46.27 -28.1636 52.2521 -28.1636 58.7579 -18.5683 52.2521 -18.5683 -15.2548 GPRESSAVG: 4371200 -45.5682 -26.1563 53.3655 -29.7194 58.7712 -17.8969 49.5622 -20.1945 -16.1305 TIMING: 4371200 CPU: 13823.2, 0.00317047/step Wall: 13823.2, 0.00317047/step, 0.553776 hours remaining, 235.894531 MB of memory in use. ENERGY: 4371200 3970.4846 20468.7141 14573.6436 245.7981 -202755.6372 2341.0290 0.0000 0.0000 51773.1120 -109382.8558 297.5408 -161155.9678 -109020.1576 298.8371 -37.5804 -0.0577 762384.2061 -0.9223 -0.9759 PRESSURE: 4371400 -159.322 56.0982 231.011 56.0976 -177.597 80.3617 231.011 80.3608 -135.049 GPRESSURE: 4371400 -151.697 35.7984 267.318 17.6758 -108.283 79.208 234.264 28.9261 -114.455 PRESSAVG: 4371400 -43.7359 -76.3314 49.5108 -76.3314 29.6175 -14.5321 49.5107 -14.5321 6.76252 GPRESSAVG: 4371400 -43.7445 -79.2964 49.8955 -74.3374 29.9871 -16.5084 50.5539 -14.8257 6.66591 TIMING: 4371400 CPU: 13823.9, 0.00317394/step Wall: 13823.9, 0.00317394/step, 0.554205 hours remaining, 235.894531 MB of memory in use. ENERGY: 4371400 3973.4141 20377.4469 14511.6235 245.0057 -203040.4843 2519.2624 0.0000 0.0000 52093.6278 -109320.1039 299.3828 -161413.7317 -108956.2754 298.7797 -157.3226 -124.8116 763068.2706 -2.4520 -2.3638 PRESSURE: 4371600 -250.798 -93.562 -14.5454 -93.5613 -1.65844 -15.6613 -14.5448 -15.6624 -72.3743 GPRESSURE: 4371600 -286.534 -164.976 -7.70294 -95.5382 -0.829918 49.0204 40.0885 63.5237 50.7034 PRESSAVG: 4371600 -43.1674 18.2272 3.44222 18.2272 51.4547 -14.1564 3.44224 -14.1564 3.10074 GPRESSAVG: 4371600 -44.1011 18.1492 3.82019 17.7099 50.7738 -12.3229 2.76266 -12.3389 4.29799 TIMING: 4371600 CPU: 13824.5, 0.00318329/step Wall: 13824.5, 0.00318329/step, 0.555661 hours remaining, 235.894531 MB of memory in use. ENERGY: 4371600 3958.4133 20509.5143 14532.9269 244.2838 -203266.0670 2529.5025 0.0000 0.0000 52201.1116 -109290.3147 300.0005 -161491.4263 -108927.0100 299.5819 -108.2768 -78.8868 763072.1183 3.7960 3.6569 PRESSURE: 4371800 -155.91 -53.5247 -94.9203 -53.5251 -249.053 -118.091 -94.9188 -118.091 -224.279 GPRESSURE: 4371800 -197.487 -20.896 -126.602 1.27229 -206.307 -94.4524 -145.975 -281.873 -156.071 PRESSAVG: 4371800 29.9688 -44.7331 0.570406 -44.7331 -6.06881 5.90617 0.570388 5.90614 -7.33736 GPRESSAVG: 4371800 28.9942 -42.1622 -0.23064 -44.7741 -5.41664 5.48722 2.88232 4.87788 -7.55787 TIMING: 4371800 CPU: 13825.1, 0.00317282/step Wall: 13825.1, 0.00317282/step, 0.553657 hours remaining, 235.894531 MB of memory in use. ENERGY: 4371800 4024.4682 20339.9577 14490.6903 243.6532 -203481.6356 2722.8761 0.0000 0.0000 52136.6901 -109523.3001 299.6303 -161659.9902 -109161.9376 299.5925 -209.7470 -186.6217 763701.5413 5.5209 5.3399 PRESSURE: 4372000 374.341 60.3609 51.874 60.3601 15.6082 276.805 51.8736 276.805 178.806 GPRESSURE: 4372000 467.131 227.412 4.43372 117.632 115.759 209.928 49.2736 37.4655 68.5317 PRESSAVG: 4372000 30.6456 -16.5091 -42.4791 -16.509 -5.76071 44.1293 -42.4791 44.1293 -15.4023 GPRESSAVG: 4372000 32.5062 -17.3234 -42.7112 -15.7904 -5.66249 43.651 -43.9679 45.0456 -16.93 TIMING: 4372000 CPU: 13825.8, 0.00314438/step Wall: 13825.8, 0.00314438/step, 0.54852 hours remaining, 235.894531 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: 4372000 3992.4790 20311.1357 14449.8511 250.7529 -203655.8037 3035.5380 0.0000 0.0000 51991.8927 -109624.1541 298.7981 -161616.0468 -109262.7245 299.0747 189.5850 217.1407 762370.7087 3.1609 3.3046 PRESSURE: 4372200 -81.4301 38.0603 -289.716 38.0601 -446.446 -400.131 -289.715 -400.131 134.335 GPRESSURE: 4372200 -112.884 -30.876 -217.414 -98.0153 -312.416 -396.962 -292.517 -245.189 144.579 PRESSAVG: 4372200 -15.3555 -33.248 -6.77641 -33.2479 30.9611 -52.2315 -6.77647 -52.2315 -10.1327 GPRESSAVG: 4372200 -15.8949 -33.1582 -6.54631 -35.2595 31.2131 -51.6217 -6.39599 -52.3658 -9.07656 TIMING: 4372200 CPU: 13826.4, 0.00318131/step Wall: 13826.4, 0.00318131/step, 0.554784 hours remaining, 235.894531 MB of memory in use. ENERGY: 4372200 3962.6424 20358.4760 14479.8495 249.9342 -203319.5883 2437.4902 0.0000 0.0000 51953.3001 -109877.8959 298.5763 -161831.1961 -109519.5454 298.1577 -131.1803 -93.5737 762935.5547 1.8243 2.0805 LDB: ============= START OF LOAD BALANCING ============== 13838.9 LDB: ============== END OF LOAD BALANCING =============== 13838.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13838.9 LDB: ============= START OF LOAD BALANCING ============== 13839.3 LDB: Largest compute 7075 load 0.033745 is 17.3% of average load 0.195504 LDB: Average compute 0.004410 is 2.3% of average load 0.195504 LDB: TIME 13839.3 LOAD: AVG 0.195504 MAX 0.213546 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.41 MB LDB: TIME 13839.3 LOAD: AVG 0.195504 MAX 0.213546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 13839.3 LOAD: AVG 0.195504 MAX 0.213546 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 13839.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13839.3 PRESSURE: 4372400 188.878 -249.339 13.8082 -249.339 101.109 -34.1242 13.8083 -34.1243 -481.103 GPRESSURE: 4372400 228.803 -171.345 2.97933 -241.581 121.931 -7.73333 120.573 -9.40527 -474.753 PRESSAVG: 4372400 -14.2303 -40.3557 17.5358 -40.3556 71.1769 16.8743 17.5358 16.8743 -8.77923 GPRESSAVG: 4372400 -14.1798 -42.4512 16.9053 -38.5346 71.637 15.7121 19.6072 16.6173 -9.59342 TIMING: 4372400 CPU: 13827.1, 0.00323493/step Wall: 13827.1, 0.00323493/step, 0.563957 hours remaining, 235.960938 MB of memory in use. ENERGY: 4372400 4013.4875 20460.2758 14501.4277 255.0248 -203578.6036 2652.8222 0.0000 0.0000 52105.4665 -109590.0991 299.4508 -161695.5656 -109238.7234 299.0031 -63.7052 -41.3397 762567.8926 16.0558 15.9546 PRESSURE: 4372600 128.747 -508.872 -69.2353 -508.872 -327.687 123.239 -69.2352 123.238 -64.8057 GPRESSURE: 4372600 44.2635 -387.767 -95.9289 -260.315 -192.18 128.174 -41.8679 87.9046 -20.8108 PRESSAVG: 4372600 6.37352 -55.4151 -4.11968 -55.4151 41.4286 -35.1158 -4.11962 -35.1158 7.45692 GPRESSAVG: 4372600 4.86041 -54.8263 -2.12544 -53.2761 41.4842 -34.3087 -4.75616 -36.1909 8.4323 TIMING: 4372600 CPU: 13827.7, 0.00315833/step Wall: 13827.7, 0.00315833/step, 0.550426 hours remaining, 236.289062 MB of memory in use. ENERGY: 4372600 4012.5496 20331.8661 14656.2093 252.8644 -203412.1391 2658.2961 0.0000 0.0000 52019.0746 -109481.2788 298.9543 -161500.3534 -109110.8359 299.0835 -87.9153 -56.2424 763045.8439 18.4197 18.2590 PRESSURE: 4372800 310.15 260.709 -108.866 260.71 316.082 -27.358 -108.866 -27.3573 -136.77 GPRESSURE: 4372800 418.275 189.203 -215.436 304.05 264.433 -35.5467 -56.331 -111.069 -135.088 PRESSAVG: 4372800 19.9425 -40.681 9.40325 -40.681 5.41642 43.4432 9.4032 43.4431 -36.0916 GPRESSAVG: 4372800 19.4396 -39.9333 7.00582 -42.2346 5.072 43.2494 10.2849 43.274 -35.7812 TIMING: 4372800 CPU: 13828.3, 0.00314937/step Wall: 13828.3, 0.00314937/step, 0.54869 hours remaining, 236.359375 MB of memory in use. ENERGY: 4372800 3893.2828 20538.6263 14549.4394 247.4203 -203550.6625 2808.0161 0.0000 0.0000 51996.1468 -109517.7308 298.8226 -161513.8776 -109148.8428 299.2473 163.1539 182.5401 761384.8365 -3.5776 -3.7565 PRESSURE: 4373000 -26.3191 38.0574 137.043 38.0569 218.476 80.5192 137.042 80.5194 -193.735 GPRESSURE: 4373000 59.2371 -3.38632 77.311 56.2527 174.93 91.6087 77.1867 32.8862 -139.657 PRESSAVG: 4373000 25.9798 2.56482 -3.37064 2.56484 -30.5515 63.6684 -3.37061 63.6684 16.0953 GPRESSAVG: 4373000 27.4954 1.92757 -4.29642 1.4876 -30.4612 63.6153 -3.08903 67.0216 15.2224 TIMING: 4373000 CPU: 13828.9, 0.00315187/step Wall: 13828.9, 0.00315187/step, 0.548951 hours remaining, 236.359375 MB of memory in use. ENERGY: 4373000 3956.5619 20609.5195 14541.8083 252.9876 -203592.7242 2790.9607 0.0000 0.0000 52003.8515 -109437.0347 298.8668 -161440.8862 -109082.2481 299.2296 -0.5260 31.5034 762470.5868 3.8412 4.0856 PRESSURE: 4373200 247.041 5.15582 50.4463 5.15618 181.894 75.6696 50.4471 75.6682 205.251 GPRESSURE: 4373200 343.428 -133.096 136.474 -17.9111 216.17 35.3425 3.09026 -24.7944 148.949 PRESSAVG: 4373200 7.26005 -19.0403 41.4347 -19.0403 -21.8138 26.1821 41.4347 26.1822 23.1182 GPRESSAVG: 4373200 6.66901 -19.0301 43.8335 -19.0071 -22.3665 25.723 36.4119 22.9789 24.4975 TIMING: 4373200 CPU: 13829.6, 0.00314959/step Wall: 13829.6, 0.00314959/step, 0.548378 hours remaining, 236.359375 MB of memory in use. ENERGY: 4373200 3989.1450 20657.0101 14585.2139 254.6786 -203582.3516 2916.5302 0.0000 0.0000 52031.1740 -109148.5998 299.0239 -161179.7738 -108782.6655 299.5165 211.3953 236.1823 761424.0605 2.8548 2.9333 PRESSURE: 4373400 -231.627 67.028 51.4848 67.0266 -229.32 128.813 51.4855 128.813 -231.213 GPRESSURE: 4373400 -68.9772 36.8207 89.4679 23.327 -256.007 40.6896 60.615 167.077 -296.946 PRESSAVG: 4373400 -7.55697 -30.9299 -16.8718 -30.9299 -12.1386 17.7961 -16.8719 17.7961 -5.41078 GPRESSAVG: 4373400 -5.91439 -31.9238 -16.6853 -29.5985 -13.5729 17.817 -17.0886 17.3535 -5.51737 TIMING: 4373400 CPU: 13830.2, 0.00316575/step Wall: 13830.2, 0.00316575/step, 0.551016 hours remaining, 236.359375 MB of memory in use. ENERGY: 4373400 4003.4413 20692.0730 14546.6291 239.8065 -202968.9713 2281.3388 0.0000 0.0000 52041.8374 -109163.8452 299.0852 -161205.6826 -108799.6288 299.8038 -230.7202 -207.3102 761046.2156 -8.3688 -8.3349 PRESSURE: 4373600 -129.848 1.23612 -12.5815 1.23604 95.1729 -2.28181 -12.5816 -2.28208 -137.874 GPRESSURE: 4373600 -115.969 16.8536 7.92652 -59.3761 120.654 80.2414 -204.11 134.826 -90.0809 PRESSAVG: 4373600 31.682 -55.757 -9.64303 -55.7571 22.1713 10.3812 -9.64301 10.3812 -5.95213 GPRESSAVG: 4373600 29.4628 -54.3484 -10.3134 -56.5159 24.2038 11.1223 -5.35426 11.6481 -5.86145 TIMING: 4373600 CPU: 13830.8, 0.0031484/step Wall: 13830.8, 0.0031484/step, 0.547822 hours remaining, 236.425781 MB of memory in use. ENERGY: 4373600 3954.7775 20351.2787 14518.8535 247.8424 -202803.2414 2386.0851 0.0000 0.0000 52162.2955 -109182.1088 299.7774 -161344.4043 -108809.1597 299.6298 -57.5164 -28.4652 761838.9801 15.9670 15.9351 PRESSURE: 4373800 -115.703 131.879 233.547 131.878 -276.074 165.377 233.546 165.377 -219.613 GPRESSURE: 4373800 52.3535 75.3955 232.779 131.04 -305.117 69.66 147.719 196.067 -260.54 PRESSAVG: 4373800 15.4221 -42.0742 17.0473 -42.0741 -21.0864 33.5698 17.0474 33.5698 -1.50285 GPRESSAVG: 4373800 16.3371 -42.753 17.9517 -41.0862 -22.2962 32.519 14.798 33.4765 -1.58586 TIMING: 4373800 CPU: 13831.5, 0.00313748/step Wall: 13831.5, 0.00313748/step, 0.545747 hours remaining, 236.425781 MB of memory in use. ENERGY: 4373800 3993.7771 20578.8723 14530.6530 259.6024 -203309.2197 2770.1853 0.0000 0.0000 51930.3408 -109245.7888 298.4444 -161176.1296 -108888.0245 299.3326 -203.7967 -171.1014 761797.9456 -2.3890 -2.5150 PRESSURE: 4374000 -383.069 78.6403 56.0399 78.6406 -231.69 102.751 56.0403 102.751 -397.238 GPRESSURE: 4374000 -292.465 91.6446 148.186 144.464 -191.589 103.522 -0.865149 121.184 -451.432 PRESSAVG: 4374000 5.85507 14.3199 -7.16045 14.3198 -21.3543 13.1953 -7.16043 13.1953 8.16733 GPRESSAVG: 4374000 6.2694 14.4101 -9.1555 12.1375 -20.7025 16.3582 -6.40816 11.1133 7.49727 TIMING: 4374000 CPU: 13832.1, 0.00316226/step Wall: 13832.1, 0.00316226/step, 0.549882 hours remaining, 236.425781 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: 4374000 4004.3263 20341.4362 14595.1126 262.3346 -203172.9090 2434.4443 0.0000 0.0000 52131.9220 -109403.3329 299.6029 -161535.2549 -109038.2117 299.2192 -337.3322 -311.8285 764889.8919 -2.4440 -2.3120 PRESSURE: 4374200 49.6413 -34.5269 183.442 -34.5264 13.606 333.531 183.442 333.531 198.363 GPRESSURE: 4374200 -66.8281 10.4019 227.839 -115.995 132.996 262.019 193.115 77.1818 280.919 PRESSAVG: 4374200 7.54969 26.5227 16.8822 26.5227 -8.68394 -24.4828 16.8822 -24.4829 -20.9777 GPRESSAVG: 4374200 6.11633 25.5478 18.8118 27.1865 -8.83917 -25.4724 18.5192 -22.5437 -19.2093 TIMING: 4374200 CPU: 13832.7, 0.00316295/step Wall: 13832.7, 0.00316295/step, 0.549826 hours remaining, 236.667969 MB of memory in use. ENERGY: 4374200 3973.0196 20502.1536 14552.3464 248.3166 -203841.6212 2944.9254 0.0000 0.0000 52017.8744 -109602.9852 298.9474 -161620.8595 -109241.9511 299.3118 87.2034 115.6959 762222.6271 -7.3707 -7.3107 PRESSURE: 4374400 73.4932 52.5814 -74.774 52.5818 -157.569 13.3324 -74.7738 13.3321 192.379 GPRESSURE: 4374400 175.967 70.3636 -83.3309 55.9293 -90.8479 81.2917 -109.31 -3.86317 115.89 PRESSAVG: 4374400 -41.2923 -16.6905 -10.3366 -16.6905 -24.1813 18.0655 -10.3366 18.0655 -13.6149 GPRESSAVG: 4374400 -38.8745 -15.7387 -13.0346 -17.5495 -25.154 17.0684 -10.638 16.2775 -14.7658 TIMING: 4374400 CPU: 13833.4, 0.00316704/step Wall: 13833.4, 0.00316704/step, 0.550361 hours remaining, 236.667969 MB of memory in use. ENERGY: 4374400 3991.7921 20421.9470 14461.3518 245.9277 -203617.1388 2691.2608 0.0000 0.0000 52076.2112 -109728.6483 299.2827 -161804.8594 -109370.7083 298.7540 36.1012 67.0029 761458.0820 -26.3628 -26.2648 PRESSURE: 4374600 -102.273 -72.443 -162.291 -72.4429 8.11184 21.8422 -162.29 21.8417 -122.584 GPRESSURE: 4374600 25.982 -103.716 -130.291 -30.5723 -92.6887 67.8143 -101.125 52.9104 -60.6259 PRESSAVG: 4374600 22.3702 -9.06324 -45.5907 -9.06321 -22.6775 13.8635 -45.5907 13.8635 -2.09497 GPRESSAVG: 4374600 21.8192 -9.85735 -43.5643 -7.76617 -21.7796 14.9444 -46.8333 16.4477 -3.01947 TIMING: 4374600 CPU: 13834, 0.00317611/step Wall: 13834, 0.00317611/step, 0.551761 hours remaining, 236.667969 MB of memory in use. ENERGY: 4374600 3910.8299 20470.5848 14542.8493 257.8510 -203470.8124 2439.5125 0.0000 0.0000 52088.9187 -109760.2662 299.3557 -161849.1849 -109396.3831 298.7584 -72.2484 -42.4442 760869.1318 -0.8008 -0.9933 PRESSURE: 4374800 -129.559 220.362 -49.0018 220.362 -234.634 187.423 -49.0021 187.423 -31.8304 GPRESSURE: 4374800 -112.878 145.368 116.077 200.028 -196.217 105.551 -15.8498 136.359 -18.7367 PRESSAVG: 4374800 4.3597 -17.9459 -25.7175 -17.9459 -9.56429 -2.66604 -25.7174 -2.66598 -10.6113 GPRESSAVG: 4374800 3.67614 -16.7821 -26.9199 -19.7881 -9.9329 -4.56054 -25.9157 -4.15574 -9.54944 TIMING: 4374800 CPU: 13834.6, 0.00316295/step Wall: 13834.6, 0.00316295/step, 0.549298 hours remaining, 236.667969 MB of memory in use. ENERGY: 4374800 3948.9242 20412.6386 14513.8964 240.8645 -203593.6983 2745.4735 0.0000 0.0000 52112.3763 -109619.5248 299.4905 -161731.9010 -109238.3848 298.8184 -132.0078 -109.2771 762889.9383 -5.2719 -5.2687 PRESSURE: 4375000 -92.9172 -88.5355 -43.4959 -88.5359 -127.364 62.9387 -43.495 62.9388 -122.942 GPRESSURE: 4375000 -62.6229 -56.5922 -50.9013 -15.9987 -87.3073 -57.0441 -59.3782 105.745 -101.657 PRESSAVG: 4375000 2.61714 -39.5032 -70.2495 -39.5032 -2.03111 1.8973 -70.2495 1.89722 16.543 GPRESSAVG: 4375000 2.70815 -36.9796 -70.5133 -39.0042 -1.34674 2.79074 -69.9385 0.870474 16.1527 TIMING: 4375000 CPU: 13835.3, 0.00317037/step Wall: 13835.3, 0.00317037/step, 0.550412 hours remaining, 236.667969 MB of memory in use. ENERGY: 4375000 4001.9573 20496.3078 14561.1727 237.5039 -203270.3694 2506.4643 0.0000 0.0000 51790.7591 -109676.2043 297.6422 -161466.9634 -109325.5591 298.6806 -114.4077 -83.8623 763210.5460 5.7097 5.8380 PRESSURE: 4375200 -153.363 -128.541 -29.5699 -128.54 -184.608 1.11086 -29.5697 1.11111 -120.566 GPRESSURE: 4375200 -82.342 -109.136 -126.104 -41.5422 -193.902 -68.6621 -25.1551 -37.3663 -141.095 PRESSAVG: 4375200 -72.3662 -47.8308 -42.5267 -47.8309 44.3177 12.185 -42.5266 12.1851 4.83917 GPRESSAVG: 4375200 -73.2524 -50.2503 -42.2332 -47.9723 45.0063 12.2187 -42.6237 12.6923 4.58497 TIMING: 4375200 CPU: 13835.9, 0.00318073/step Wall: 13835.9, 0.00318073/step, 0.552033 hours remaining, 236.667969 MB of memory in use. ENERGY: 4375200 3961.5694 20606.6058 14526.1512 238.2200 -203536.7298 2380.3874 0.0000 0.0000 52119.8362 -109703.9598 299.5334 -161823.7960 -109340.4775 298.5294 -152.8457 -139.1130 760890.2388 -7.7365 -7.8870 PRESSURE: 4375400 -20.093 -7.10527 -93.7004 -7.10517 143.198 87.7191 -93.7002 87.7188 -25.2396 GPRESSURE: 4375400 54.4041 -75.2042 -2.59673 9.05081 71.8295 97.1997 -50.6212 88.3313 54.0156 PRESSAVG: 4375400 -15.9389 -68.7683 -8.44531 -68.7683 40.4533 -22.685 -8.44529 -22.6851 -21.5177 GPRESSAVG: 4375400 -15.5587 -68.3733 -6.90012 -68.0605 39.496 -21.4453 -8.40224 -22.4453 -20.4186 TIMING: 4375400 CPU: 13836.5, 0.00318075/step Wall: 13836.5, 0.00318076/step, 0.551861 hours remaining, 236.667969 MB of memory in use. ENERGY: 4375400 3985.4391 20431.8472 14557.0756 232.0247 -203667.5833 2644.1674 0.0000 0.0000 51910.0784 -109906.9508 298.3279 -161817.0292 -109539.0838 298.8216 32.6217 60.0831 760936.1496 0.9989 1.1729 PRESSURE: 4375600 17.8822 122.926 117.905 122.927 -116.707 6.2148 117.906 6.21457 -267.372 GPRESSURE: 4375600 30.0702 62.6839 98.4956 122.467 -72.5038 110.294 104.87 10.9307 -234.348 PRESSAVG: 4375600 -4.49378 -31.3986 21.9481 -31.3985 31.2462 -22.0367 21.9481 -22.0367 5.5223 GPRESSAVG: 4375600 -3.85495 -32.683 18.6815 -31.5829 31.4016 -23.318 22.151 -20.0887 4.99654 TIMING: 4375600 CPU: 13837.2, 0.00315731/step Wall: 13837.2, 0.00315731/step, 0.547617 hours remaining, 236.667969 MB of memory in use. ENERGY: 4375600 3948.4296 20562.8803 14583.2166 247.5015 -203549.0448 2543.2350 0.0000 0.0000 51955.7222 -109708.0594 298.5902 -161663.7817 -109353.7470 298.4228 -122.0657 -92.2607 761508.9405 10.7583 10.8477 PRESSURE: 4375800 74.3252 -31.8083 -77.9739 -31.8083 -106.227 -88.1897 -77.9738 -88.1907 -369.792 GPRESSURE: 4375800 128.052 16.9242 -47.9593 -81.2645 -58.7622 -125.893 -79.691 -123.67 -363.181 PRESSAVG: 4375800 18.5614 -31.1375 -44.0262 -31.1375 10.4076 2.57072 -44.0261 2.57065 -3.08761 GPRESSAVG: 4375800 18.8447 -29.5456 -42.9476 -32.7642 10.9411 2.68041 -43.8124 0.270256 -4.39583 TIMING: 4375800 CPU: 13837.8, 0.00317334/step Wall: 13837.8, 0.00317334/step, 0.550221 hours remaining, 236.667969 MB of memory in use. ENERGY: 4375800 3999.2095 20492.6742 14540.4648 246.8138 -203804.2888 2865.3520 0.0000 0.0000 51905.1853 -109754.5892 298.2998 -161659.7745 -109393.9144 298.3358 -133.8979 -97.9637 762542.9160 8.6271 8.4633 PRESSURE: 4376000 -56.0916 -162.262 -26.0746 -162.262 -233.662 42.9745 -26.0749 42.9738 -103.652 GPRESSURE: 4376000 -28.7299 -130.692 -74.4639 -185.46 -161.907 2.28793 38.9156 87.6914 -114.84 PRESSAVG: 4376000 12.6602 -44.3981 6.35372 -44.3981 -63.2473 19.8998 6.35375 19.8998 -29.6834 GPRESSAVG: 4376000 11.8236 -44.5235 7.78487 -42.005 -63.5771 19.3849 6.18055 21.8252 -27.8612 TIMING: 4376000 CPU: 13838.4, 0.00317186/step Wall: 13838.4, 0.00317186/step, 0.54979 hours remaining, 236.667969 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: 4376000 4053.2868 20601.2113 14501.4575 254.2161 -203716.3325 2629.3754 0.0000 0.0000 51953.5027 -109723.2826 298.5775 -161676.7853 -109362.8364 298.6605 -131.1352 -101.8256 761453.2521 -26.7568 -26.5382 PRESSURE: 4376200 -165.034 -92.7119 6.21582 -92.7125 216.534 -101.865 6.21525 -101.865 -470.885 GPRESSURE: 4376200 -111.923 -42.9208 -25.1229 -28.9731 122.067 -85.5774 -4.45199 -99.9637 -349.022 PRESSAVG: 4376200 1.58331 -32.5376 -12.9774 -32.5376 -24.6093 15.3229 -12.9774 15.3229 -6.23243 GPRESSAVG: 4376200 1.51661 -32.3181 -13.5108 -33.523 -24.9703 16.6405 -13.0537 13.2813 -6.66524 TIMING: 4376200 CPU: 13839.1, 0.00315252/step Wall: 13839.1, 0.00315252/step, 0.546262 hours remaining, 236.667969 MB of memory in use. ENERGY: 4376200 3917.7000 20508.0169 14613.0286 252.9200 -203574.6370 2650.5972 0.0000 0.0000 52082.6423 -109549.7320 299.3197 -161632.3743 -109184.0988 298.7570 -139.7950 -112.9590 762593.2716 -9.7528 -10.0397 LDB: ============= START OF LOAD BALANCING ============== 13851.6 LDB: ============== END OF LOAD BALANCING =============== 13851.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13851.6 LDB: ============= START OF LOAD BALANCING ============== 13851.9 LDB: Largest compute 7078 load 0.033882 is 17.3% of average load 0.195530 LDB: Average compute 0.004410 is 2.3% of average load 0.195530 LDB: TIME 13851.9 LOAD: AVG 0.19553 MAX 0.217409 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.203 MB LDB: TIME 13851.9 LOAD: AVG 0.19553 MAX 0.217409 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: TIME 13851.9 LOAD: AVG 0.19553 MAX 0.217409 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: ============== END OF LOAD BALANCING =============== 13851.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13851.9 PRESSURE: 4376400 -229.097 89.2547 122.169 89.2535 -196.374 -213.582 122.168 -213.581 -94.5205 GPRESSURE: 4376400 -202.462 117.242 88.053 -85.8355 -87.2987 -297.245 22.1154 -243.606 -149.059 PRESSAVG: 4376400 -49.0062 -82.7965 -2.05409 -82.7965 35.1035 10.6425 -2.05409 10.6425 -6.05738 GPRESSAVG: 4376400 -49.0138 -83.2118 -1.94686 -84.4432 35.8833 10.178 -2.69072 11.5623 -6.92268 TIMING: 4376400 CPU: 13839.7, 0.0032531/step Wall: 13839.7, 0.00325309/step, 0.563508 hours remaining, 235.453125 MB of memory in use. ENERGY: 4376400 3986.5194 20575.1969 14480.2491 236.9463 -203418.5617 2659.9665 0.0000 0.0000 52034.9552 -109444.7284 299.0456 -161479.6835 -109082.4248 299.0684 -173.3305 -146.2732 762463.6624 -6.6533 -6.6844 PRESSURE: 4376600 -4.53349 -67.7813 -329.15 -67.7814 70.6081 -2.47619 -329.15 -2.47688 -584.749 GPRESSURE: 4376600 24.3574 -64.8472 -255.382 0.108408 70.7703 -30.1776 -156.518 74.1493 -526.244 PRESSAVG: 4376600 2.58288 -31.0089 -7.95141 -31.0089 -67.99 10.7537 -7.95144 10.7537 -23.1971 GPRESSAVG: 4376600 3.94436 -30.831 -7.61292 -29.3402 -68.5638 10.8674 -6.3913 10.549 -24.0099 TIMING: 4376600 CPU: 13840.4, 0.00319096/step Wall: 13840.4, 0.00319096/step, 0.552568 hours remaining, 235.710938 MB of memory in use. ENERGY: 4376600 3972.2601 20559.6653 14583.3502 269.2210 -203575.9094 2755.2066 0.0000 0.0000 51988.1607 -109448.0454 298.7767 -161436.2062 -109076.7715 299.0315 -172.8914 -143.7054 762082.9946 -29.5348 -29.5431 PRESSURE: 4376800 -33.9497 32.8575 15.8379 32.8581 84.0541 82.5034 15.8385 82.5035 -122.626 GPRESSURE: 4376800 -2.05315 20.6225 65.2872 24.7641 81.4854 180.101 83.4701 -91.5273 -77.6645 PRESSAVG: 4376800 -64.6627 -80.4545 15.695 -80.4545 22.0161 -21.4127 15.6951 -21.4127 14.8863 GPRESSAVG: 4376800 -65.7443 -81.4329 17.4279 -79.2263 21.9969 -19.5353 13.9579 -22.9667 15.7244 TIMING: 4376800 CPU: 13841, 0.00317428/step Wall: 13841, 0.00317428/step, 0.549504 hours remaining, 235.710938 MB of memory in use. ENERGY: 4376800 3946.0780 20587.4147 14542.5971 252.3173 -203121.6291 2406.2025 0.0000 0.0000 52083.8402 -109303.1793 299.3265 -161387.0195 -108933.0997 299.1393 -24.1740 0.5892 762401.5608 -9.2535 -9.3410 PRESSURE: 4377000 -126.758 -126.694 34.9258 -126.695 9.88721 -20.5548 34.9262 -20.5551 -195.463 GPRESSURE: 4377000 -27.3652 -37.8011 159.011 -90.9761 27.6013 57.9681 15.6231 44.6119 -211.036 PRESSAVG: 4377000 -51.8525 -22.4235 -14.0046 -22.4235 58.9276 0.157219 -14.0047 0.15722 29.8469 GPRESSAVG: 4377000 -51.3944 -20.8938 -15.1762 -24.0996 58.6688 -1.6273 -13.4418 2.17354 29.6003 TIMING: 4377000 CPU: 13841.6, 0.00315964/step Wall: 13841.6, 0.00315964/step, 0.546793 hours remaining, 235.800781 MB of memory in use. ENERGY: 4377000 4080.5783 20617.2569 14529.2395 241.9843 -203385.0247 2771.7583 0.0000 0.0000 51897.1631 -109247.0443 298.2537 -161144.2073 -108884.2258 299.7620 -104.1113 -70.2665 761566.4184 12.3073 12.2916 PRESSURE: 4377200 -117.3 57.5227 66.8305 57.5228 3.02484 51.8452 66.8296 51.8453 -10.4796 GPRESSURE: 4377200 -20.6548 109.393 106.051 1.10938 -38.4705 42.1352 96.5197 107.294 33.6243 PRESSAVG: 4377200 2.61021 -37.8862 -30.8028 -37.8862 22.1907 30.876 -30.8029 30.876 -21.7448 GPRESSAVG: 4377200 2.39382 -39.1438 -32.57 -38.8785 21.6735 30.5452 -30.0863 31.4838 -21.5705 TIMING: 4377200 CPU: 13842.3, 0.00317154/step Wall: 13842.3, 0.00317154/step, 0.548677 hours remaining, 235.800781 MB of memory in use. ENERGY: 4377200 3940.2224 20630.6904 14496.3933 257.7981 -203279.2763 2598.0069 0.0000 0.0000 52082.6344 -109273.5309 299.3196 -161356.1652 -108912.4163 300.0286 -41.5848 -8.5003 761220.2691 1.0187 0.8323 PRESSURE: 4377400 -26.4726 -35.1518 52.7678 -35.152 -64.9255 107.141 52.7674 107.141 231.902 GPRESSURE: 4377400 179.186 3.45374 19.3858 -77.2433 -215.728 77.379 -38.9185 7.73071 278.947 PRESSAVG: 4377400 -17.0822 -42.8809 -28.7108 -42.8809 19.1304 -38.6817 -28.7108 -38.6816 -6.90062 GPRESSAVG: 4377400 -16.4545 -44.0955 -28.4204 -40.5785 17.7991 -38.1562 -28.2317 -39.7392 -5.8761 TIMING: 4377400 CPU: 13842.9, 0.00316772/step Wall: 13842.9, 0.00316773/step, 0.547841 hours remaining, 235.800781 MB of memory in use. ENERGY: 4377400 4105.3520 20639.5380 14531.9025 227.8436 -203303.9575 2473.7115 0.0000 0.0000 52080.1951 -109245.4148 299.3056 -161325.6099 -108894.4530 300.0520 46.8345 80.8016 760873.7056 -1.6175 -1.5105 PRESSURE: 4377600 -239.188 -185.246 174.95 -185.246 422.366 -73.4356 174.95 -73.4375 255.39 GPRESSURE: 4377600 -110.688 -152.507 200.772 -140.214 402.135 -6.76518 94.634 -67.5932 221.804 PRESSAVG: 4377600 -65.3818 -27.3975 -4.06191 -27.3975 83.0448 -5.90931 -4.06194 -5.9093 5.10773 GPRESSAVG: 4377600 -64.8984 -25.9605 -3.05771 -27.8293 83.8638 -6.1979 -5.42576 -6.1976 3.31133 TIMING: 4377600 CPU: 13843.5, 0.00316442/step Wall: 13843.5, 0.00316442/step, 0.547093 hours remaining, 235.800781 MB of memory in use. ENERGY: 4377600 3869.4131 20601.9261 14518.0087 262.2924 -203330.1041 2687.5537 0.0000 0.0000 52069.4655 -109321.4447 299.2439 -161390.9102 -108954.4629 299.4153 146.1890 171.0837 760911.9798 7.5902 7.4256 PRESSURE: 4377800 -46.5143 -192.188 -4.63851 -192.188 -190.7 -4.40606 -4.63915 -4.40685 -375.907 GPRESSURE: 4377800 -54.3004 -105.961 9.57136 -291.122 -68.7943 -14.1591 87.7148 -73.7674 -388.968 PRESSAVG: 4377800 -2.69442 -62.6425 29.5706 -62.6425 8.59527 -15.6724 29.5706 -15.6724 -12.7647 GPRESSAVG: 4377800 -3.52411 -62.9881 28.8585 -62.3317 8.72519 -15.3644 30.1988 -16.3162 -12.383 TIMING: 4377800 CPU: 13844.2, 0.00319552/step Wall: 13844.2, 0.00319552/step, 0.552292 hours remaining, 235.800781 MB of memory in use. ENERGY: 4377800 3983.6419 20418.2257 14577.9612 250.4930 -203314.5750 2548.1085 0.0000 0.0000 52330.5730 -109205.5717 300.7445 -161536.1447 -108832.8840 299.1486 -204.3738 -170.6877 760288.1193 -2.2879 -2.3940 PRESSURE: 4378000 -59.0781 177.437 72.8229 177.437 252.564 134.967 72.822 134.968 228.498 GPRESSURE: 4378000 -90.6485 152.163 -24.5174 181.092 363.375 76.3832 65.4969 99.8002 240.211 PRESSAVG: 4378000 -3.46741 -102.346 -1.21098 -102.346 -20.0835 64.9041 -1.211 64.9042 1.37967 GPRESSAVG: 4378000 -2.49185 -101.037 -0.662585 -103.584 -20.2853 63.6853 -1.44253 65.259 1.44602 TIMING: 4378000 CPU: 13844.8, 0.00317689/step Wall: 13844.8, 0.00317689/step, 0.548897 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: 4378000 3984.9459 20452.2470 14496.5929 252.4400 -203722.1975 3116.2178 0.0000 0.0000 52204.6724 -109215.0814 300.0210 -161419.7539 -108844.2029 299.7161 140.6612 170.9792 760441.0949 -7.3904 -7.1104 PRESSURE: 4378200 56.4119 36.2009 -69.0332 36.2012 -192.489 17.1225 -69.033 17.1206 287.39 GPRESSURE: 4378200 36.37 26.6041 -94.0376 31.1037 -151.261 -26.6999 12.9525 49.2197 359.438 PRESSAVG: 4378200 8.8788 -100.357 15.3248 -100.357 -39.9029 7.13261 15.3249 7.13253 -7.49672 GPRESSAVG: 4378200 9.4732 -100.684 15.1467 -100.416 -39.5487 7.38617 14.7703 8.39585 -8.91117 TIMING: 4378200 CPU: 13845.4, 0.00314763/step Wall: 13845.4, 0.00314763/step, 0.543666 hours remaining, 235.800781 MB of memory in use. ENERGY: 4378200 4017.8487 20595.9510 14511.8648 249.8033 -203468.1755 2788.6666 0.0000 0.0000 52167.0241 -109137.0170 299.8046 -161304.0411 -108773.3633 300.0473 50.4379 81.5158 762470.1028 -12.8403 -12.9955 PRESSURE: 4378400 71.022 -250.731 -4.28074 -250.731 108.052 81.5197 -4.28029 81.5207 384.944 GPRESSURE: 4378400 125.781 -336.727 16.2918 -234.795 195.559 91.6681 13.0091 104.502 325.101 PRESSAVG: 4378400 30.2968 -147.898 55.7093 -147.898 11.9088 8.19204 55.7093 8.192 15.4534 GPRESSAVG: 4378400 28.9478 -149.972 56.4157 -146.98 12.1392 7.70749 56.0012 6.42582 16.0821 TIMING: 4378400 CPU: 13846.1, 0.00316395/step Wall: 13846.1, 0.00316395/step, 0.54631 hours remaining, 235.800781 MB of memory in use. ENERGY: 4378400 3922.1280 20772.2575 14476.8857 237.3284 -202848.7929 2197.1333 0.0000 0.0000 52188.0041 -109055.0560 299.9252 -161243.0601 -108686.9132 300.4592 188.0058 215.4804 762723.8521 19.2197 19.0564 PRESSURE: 4378600 -227.719 160.144 65.0873 160.144 -69.0988 -48.0849 65.088 -48.0833 66.5569 GPRESSURE: 4378600 -143.343 189.903 22.3902 110.023 -52.9198 -31.8041 140.693 -6.99038 44.2008 PRESSAVG: 4378600 38.0063 -76.8015 23.9517 -76.8015 -47.4176 0.937635 23.9518 0.937672 22.4387 GPRESSAVG: 4378600 38.3894 -76.8767 22.4741 -78.6058 -47.9426 0.408484 23.7578 3.28303 22.2279 TIMING: 4378600 CPU: 13846.7, 0.00315409/step Wall: 13846.7, 0.00315409/step, 0.544431 hours remaining, 235.820312 MB of memory in use. ENERGY: 4378600 4063.1323 20734.1173 14521.0489 250.7423 -203058.7423 2448.0672 0.0000 0.0000 51954.6914 -109086.9431 298.5843 -161041.6344 -108730.5779 300.1854 -76.7536 -50.6872 763235.5775 4.3424 4.2249 PRESSURE: 4378800 -165.044 -34.5382 39.1091 -34.5384 284.192 120.595 39.1091 120.594 -225.947 GPRESSURE: 4378800 -116.336 74.2094 162.738 -50.5844 306.221 13.4445 79.7026 108.563 -241.134 PRESSAVG: 4378800 19.522 -64.9024 46.7316 -64.9024 -17.3629 6.26222 46.7316 6.26218 45.3591 GPRESSAVG: 4378800 19.1941 -62.8505 48.0819 -64.1675 -17.0571 8.03339 45.4473 3.0689 45.1693 TIMING: 4378800 CPU: 13847.3, 0.00316292/step Wall: 13847.3, 0.00316292/step, 0.545779 hours remaining, 235.820312 MB of memory in use. ENERGY: 4378800 3989.0563 20669.0168 14545.9023 255.2765 -203916.1251 2924.8630 0.0000 0.0000 52180.3659 -109351.6444 299.8813 -161532.0102 -108986.4249 299.6822 -35.5997 -17.0828 760906.0200 15.8394 15.7688 PRESSURE: 4379000 -193.832 -146.408 54.7172 -146.407 -89.558 154.805 54.7167 154.805 59.6772 GPRESSURE: 4379000 -100.188 -104.86 -5.15143 -40.8424 -27.6682 125.838 151.68 166.634 3.57779 PRESSAVG: 4379000 28.4128 -27.5048 26.5409 -27.5049 -1.27751 -26.8974 26.5409 -26.8973 -22.8934 GPRESSAVG: 4379000 30.0079 -26.4096 26.0643 -28.361 -1.7243 -28.4367 28.0927 -24.6816 -23.3432 TIMING: 4379000 CPU: 13848, 0.0031665/step Wall: 13848, 0.0031665/step, 0.546221 hours remaining, 235.820312 MB of memory in use. ENERGY: 4379000 3990.6861 20595.0118 14508.3227 239.6695 -203321.6580 2565.8113 0.0000 0.0000 52203.2573 -109218.8993 300.0128 -161422.1566 -108860.8444 298.9777 -74.5708 -41.4262 761998.4691 1.4140 1.6468 PRESSURE: 4379200 -279.279 110.1 -185.185 110.1 9.80159 125.816 -185.185 125.817 7.57562 GPRESSURE: 4379200 -143.197 141.081 -203.486 133.888 14.1266 150.354 -254.575 70.9602 -46.6871 PRESSAVG: 4379200 -21.0088 -24.5609 -5.58283 -24.5609 49.6168 1.76616 -5.58283 1.7661 19.3511 GPRESSAVG: 4379200 -22.712 -27.8538 -5.12593 -22.0935 50.2283 4.16391 -4.06318 0.170398 20.0459 TIMING: 4379200 CPU: 13848.6, 0.00314392/step Wall: 13848.6, 0.00314392/step, 0.542152 hours remaining, 235.820312 MB of memory in use. ENERGY: 4379200 4006.3439 20627.7014 14459.9468 248.8139 -203481.7583 2642.0176 0.0000 0.0000 52104.1064 -109392.8283 299.4430 -161496.9347 -109025.9094 299.6479 -87.3007 -58.5860 761364.6890 15.9864 15.8541 PRESSURE: 4379400 -257.239 -209.948 24.4168 -209.949 -107.827 -126.789 24.4158 -126.788 -375.697 GPRESSURE: 4379400 -307.003 -197.699 104.277 -220.036 -54.8209 -100.846 -86.3135 -79.5173 -308.596 PRESSAVG: 4379400 -14.3044 -50.8915 28.9086 -50.8914 -15.2646 -29.8888 28.9086 -29.8887 -19.1468 GPRESSAVG: 4379400 -13.1998 -48.141 29.7958 -53.1364 -16.5759 -30.8682 27.2297 -27.4084 -18.273 TIMING: 4379400 CPU: 13849.2, 0.00313483/step Wall: 13849.2, 0.00313483/step, 0.54041 hours remaining, 235.886719 MB of memory in use. ENERGY: 4379400 3943.9488 20633.0730 14567.7375 244.0892 -202950.7439 2250.3588 0.0000 0.0000 51797.3404 -109514.1962 297.6800 -161311.5366 -109166.3400 298.9096 -246.9212 -223.4733 762138.2309 -16.2386 -16.0162 PRESSURE: 4379600 9.3516 1.78543 350.919 1.78538 -37.8819 -189.17 350.918 -189.169 -200.868 GPRESSURE: 4379600 67.5448 -35.3335 344.952 -29.3271 51.1812 -108.234 266.127 -199.187 -263.822 PRESSAVG: 4379600 -16.3762 -36.2755 30.0022 -36.2755 -22.5474 -14.0897 30.0022 -14.0897 7.69147 GPRESSAVG: 4379600 -16.9421 -37.3932 29.3936 -35.1252 -21.1379 -15.4794 28.9125 -14.2119 6.55432 TIMING: 4379600 CPU: 13849.8, 0.00314991/step Wall: 13849.8, 0.00314991/step, 0.542835 hours remaining, 235.886719 MB of memory in use. ENERGY: 4379600 4017.2767 20592.7329 14566.4571 271.1179 -203670.5550 2809.1288 0.0000 0.0000 52008.5101 -109405.3314 298.8936 -161413.8415 -109048.9245 299.1740 -76.4660 -48.3652 761772.0576 -10.4107 -10.5086 PRESSURE: 4379800 70.0482 119.707 -84.6604 119.706 212.035 62.9839 -84.6602 62.9842 63.1427 GPRESSURE: 4379800 67.5614 184.919 -76.8277 52.2469 218.453 52.7821 -59.9972 86.4484 161.846 PRESSAVG: 4379800 -16.4596 -22.3475 35.0715 -22.3474 -22.0007 -8.54679 35.0715 -8.54674 18.4966 GPRESSAVG: 4379800 -15.7736 -22.3879 35.7274 -20.8187 -22.998 -8.39884 35.8634 -8.83269 19.648 TIMING: 4379800 CPU: 13850.5, 0.00314325/step Wall: 13850.5, 0.00314325/step, 0.541512 hours remaining, 235.886719 MB of memory in use. ENERGY: 4379800 4033.8489 20443.8368 14466.7870 248.0932 -203811.6708 2818.7748 0.0000 0.0000 52221.6134 -109578.7168 300.1183 -161800.3303 -109210.5014 299.1791 115.0752 149.2870 761528.0987 -6.6546 -6.3745 PRESSURE: 4380000 317.342 -120.385 113.209 -120.385 242.179 -55.344 113.209 -55.3438 419.633 GPRESSURE: 4380000 364.586 -244.091 48.1221 -85.8036 254.694 -98.1062 41.982 13.3948 460.468 PRESSAVG: 4380000 16.2596 0.419313 -21.188 0.419257 2.82984 -2.67312 -21.188 -2.6731 -12.6466 GPRESSAVG: 4380000 17.0035 -0.810026 -22.0226 -1.07894 1.72159 -1.91354 -20.811 -3.88862 -12.7489 TIMING: 4380000 CPU: 13851.1, 0.00315392/step Wall: 13851.1, 0.00315392/step, 0.543175 hours remaining, 235.886719 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: 4380000 3941.0589 20683.4598 14512.1717 232.6386 -204270.7519 3250.3519 0.0000 0.0000 51997.9031 -109653.1680 298.8327 -161651.0711 -109291.5742 298.9824 326.3849 359.9163 760807.5323 2.1476 1.9921 PRESSURE: 4380200 -391.537 -196.273 -1.27832 -196.272 137.501 80.9557 -1.27765 80.9573 89.6594 GPRESSURE: 4380200 -241.079 -238.459 18.6157 -194.28 126.078 9.84083 -58.0932 75.266 40.3815 PRESSAVG: 4380200 60.1147 -20.0787 -1.68944 -20.0787 -12.9532 -15.3144 -1.6894 -15.3144 15.4836 GPRESSAVG: 4380200 58.769 -19.1242 -0.870036 -19.9524 -10.4849 -13.7681 -2.55494 -14.92 14.1426 TIMING: 4380200 CPU: 13851.7, 0.00314259/step Wall: 13851.7, 0.00314259/step, 0.54105 hours remaining, 235.886719 MB of memory in use. ENERGY: 4380200 3967.1219 20535.8862 14480.0081 247.2341 -203649.3434 2606.6841 0.0000 0.0000 52276.6340 -109535.7750 300.4345 -161812.4090 -109163.6452 299.1252 -54.7923 -24.8731 762438.2521 20.8817 20.8089 LDB: ============= START OF LOAD BALANCING ============== 13864.3 LDB: ============== END OF LOAD BALANCING =============== 13864.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13864.3 LDB: ============= START OF LOAD BALANCING ============== 13864.6 LDB: Largest compute 7032 load 0.035054 is 17.9% of average load 0.195505 LDB: Average compute 0.004393 is 2.2% of average load 0.195505 LDB: TIME 13864.6 LOAD: AVG 0.195505 MAX 0.217039 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.906 MB LDB: TIME 13864.6 LOAD: AVG 0.195505 MAX 0.217039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 13864.6 LOAD: AVG 0.195505 MAX 0.217039 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 13864.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13864.6 PRESSURE: 4380400 139.317 -283.669 118.896 -283.669 103.983 267.523 118.895 267.524 -154.357 GPRESSURE: 4380400 212.861 -131.322 108.673 -361.449 79.1031 201.383 33.6035 271.564 -115.406 PRESSAVG: 4380400 -32.8003 -8.87662 -25.2933 -8.87654 -23.7617 -29.9644 -25.2934 -29.9643 8.30594 GPRESSAVG: 4380400 -31.3987 -7.57898 -26.3528 -9.65345 -25.3365 -31.6157 -25.6146 -28.7037 8.77132 TIMING: 4380400 CPU: 13852.4, 0.00322223/step Wall: 13852.4, 0.00322223/step, 0.554581 hours remaining, 237.625000 MB of memory in use. ENERGY: 4380400 4072.5179 20438.9419 14482.6275 250.0538 -203718.8576 2755.0524 0.0000 0.0000 52033.0090 -109686.6551 299.0344 -161719.6640 -109333.2867 298.7496 29.6479 58.8524 762767.3950 -16.0854 -15.9880 PRESSURE: 4380600 -162.137 40.7776 -35.3998 40.7776 100.34 62.1456 -35.3999 62.1451 -64.727 GPRESSURE: 4380600 -164.214 -10.8636 -5.25801 57.1578 141.276 18.7076 -53.1967 57.8849 -27.0386 PRESSAVG: 4380600 -24.9547 26.7361 -5.85893 26.7362 61.8361 1.15852 -5.85896 1.15856 -10.6497 GPRESSAVG: 4380600 -27.1088 26.2938 -4.66933 26.8601 62.2512 1.8576 -6.70884 -1.84483 -9.33267 TIMING: 4380600 CPU: 13853, 0.00314131/step Wall: 13853, 0.00314132/step, 0.540481 hours remaining, 237.863281 MB of memory in use. ENERGY: 4380600 3995.8197 20488.4075 14556.9958 239.3756 -203551.3489 2725.2723 0.0000 0.0000 51957.4662 -109588.0119 298.6003 -161545.4780 -109221.9977 298.6625 -42.1746 -16.6588 763981.0606 8.7439 8.6032 PRESSURE: 4380800 -70.6919 16.2063 -266.651 16.2062 -97.5294 44.3909 -266.651 44.3913 100.331 GPRESSURE: 4380800 -41.7317 -153.198 -356.561 17.4559 14.1259 -0.885508 -135.664 82.6852 27.4753 PRESSAVG: 4380800 -52.2609 -35.4365 -1.82281 -35.4365 68.5392 -33.8471 -1.82274 -33.8472 7.43692 GPRESSAVG: 4380800 -52.3361 -36.9786 -0.0857859 -33.9551 68.8356 -34.4938 0.304574 -30.3614 6.84582 TIMING: 4380800 CPU: 13853.6, 0.00313581/step Wall: 13853.6, 0.00313581/step, 0.539359 hours remaining, 237.863281 MB of memory in use. ENERGY: 4380800 4090.5993 20569.0775 14502.2992 241.8498 -203794.1201 2946.0319 0.0000 0.0000 51926.7861 -109517.4763 298.4240 -161444.2624 -109144.1621 298.8727 -22.6301 -0.0435 763535.3760 7.9051 7.7818 PRESSURE: 4381000 -344.02 -123.9 234.893 -123.9 -355.159 64.0673 234.893 64.0656 -38.9963 GPRESSURE: 4381000 -307.118 -152.2 254.17 -152.575 -243.399 10.8835 196.256 83.8161 -99.4966 PRESSAVG: 4381000 8.03228 -45.339 -2.24951 -45.3391 52.766 -3.63091 -2.24947 -3.63087 -4.82442 GPRESSAVG: 4381000 8.28444 -44.681 -4.88988 -45.9838 53.0034 -5.25255 -3.59434 -4.08033 -5.44136 TIMING: 4381000 CPU: 13854.3, 0.00314484/step Wall: 13854.3, 0.00314484/step, 0.540737 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381000 4026.3693 20359.4218 14533.1036 242.0384 -203294.8413 2502.6109 0.0000 0.0000 52123.2527 -109508.0446 299.5530 -161631.2973 -109136.5152 298.8100 -246.0583 -216.6711 761837.0825 18.6580 18.6155 PRESSURE: 4381200 303.573 -182.146 -149.06 -182.147 397.384 -183.498 -149.061 -183.498 90.9983 GPRESSURE: 4381200 451.638 -201.52 -122.634 -187.762 371.304 -206.333 -149.517 -192.154 79.1453 PRESSAVG: 4381200 3.22054 -39.8431 -12.6157 -39.843 -17.7672 -55.0973 -12.6157 -55.0972 -5.72796 GPRESSAVG: 4381200 3.82163 -38.5907 -11.1096 -38.4734 -18.4842 -53.7894 -12.9177 -56.3275 -5.32261 TIMING: 4381200 CPU: 13854.9, 0.00315779/step Wall: 13854.9, 0.00315779/step, 0.542788 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381200 4038.5746 20730.1858 14602.2381 235.6244 -203790.8213 3081.3777 0.0000 0.0000 51872.0820 -109230.7388 298.1096 -161102.8208 -108873.2608 299.2792 263.9851 300.6958 760515.6403 -6.7582 -6.6617 PRESSURE: 4381400 192.36 -37.9312 -133.343 -37.9317 148.712 -296.045 -133.343 -296.046 -158.679 GPRESSURE: 4381400 299.927 -45.363 -141.18 -87.1925 51.8221 -204.567 -28.7727 -140.589 -93.1415 PRESSAVG: 4381400 -34.5566 -35.874 28.1603 -35.874 47.8947 -11.2712 28.1603 -11.2712 -3.12778 GPRESSAVG: 4381400 -34.2758 -36.2615 27.358 -37.9432 46.7131 -11.7225 30.4141 -9.77248 -3.08022 TIMING: 4381400 CPU: 13855.5, 0.00314329/step Wall: 13855.5, 0.00314329/step, 0.540121 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381400 4000.1809 20704.8020 14503.4079 260.7262 -203762.8417 2971.5552 0.0000 0.0000 52159.0552 -109163.1144 299.7588 -161322.1696 -108804.9827 299.5969 60.7976 86.2025 763103.4187 3.4035 3.1190 PRESSURE: 4381600 133.759 182.355 323.773 182.356 -247.41 -158.607 323.773 -158.607 9.36052 GPRESSURE: 4381600 143.265 129.945 280.111 185.967 -215.35 -148.795 165.08 -35.9112 62.9487 PRESSAVG: 4381600 -6.39162 14.6092 8.09745 14.6092 25.4132 -33.1974 8.09751 -33.1974 6.59714 GPRESSAVG: 4381600 -6.73496 13.9357 7.85638 15.7487 25.5708 -31.4192 5.18352 -33.1411 6.99048 TIMING: 4381600 CPU: 13856.2, 0.00314089/step Wall: 13856.2, 0.00314089/step, 0.539535 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381600 4087.2774 20614.0438 14497.2355 237.9862 -203153.2815 2501.5828 0.0000 0.0000 52047.3927 -109167.7631 299.1171 -161215.1558 -108806.4277 299.8425 -34.7635 -3.0456 761527.3303 8.5396 8.6088 PRESSURE: 4381800 -516.596 -50.3907 10.7603 -50.3908 -35.2849 -143.086 10.7601 -143.086 9.09824 GPRESSURE: 4381800 -497.551 -36.537 31.3251 44.5968 28.353 -152.117 135.379 -198.671 12.7342 PRESSAVG: 4381800 17.7425 3.8553 27.4792 3.85528 2.50587 42.1715 27.4791 42.1715 -20.3603 GPRESSAVG: 4381800 15.748 5.76505 26.8702 2.53408 3.65306 42.4641 31.2693 40.8736 -19.7519 TIMING: 4381800 CPU: 13856.8, 0.00315146/step Wall: 13856.8, 0.00315146/step, 0.541175 hours remaining, 237.863281 MB of memory in use. ENERGY: 4381800 4060.9692 20649.5107 14507.2934 235.7879 -203645.9119 2785.7367 0.0000 0.0000 52180.5964 -109226.0175 299.8826 -161406.6140 -108861.9536 299.7726 -180.9277 -152.1547 760824.6423 -0.0373 -0.1170 PRESSURE: 4382000 -298.434 28.4394 19.0234 28.4387 -155.016 -22.0432 19.0231 -22.0427 -425.38 GPRESSURE: 4382000 -276.241 19.2563 -14.9679 -41.5007 -199.464 1.97523 80.2427 -215.78 -329.729 PRESSAVG: 4382000 13.0617 -31.2231 15.9258 -31.2231 -31.3573 24.4019 15.9258 24.4019 33.0453 GPRESSAVG: 4382000 14.8741 -31.9228 16.6164 -29.9597 -31.5103 23.1287 17.0474 24.8254 31.9011 TIMING: 4382000 CPU: 13857.4, 0.00317166/step Wall: 13857.4, 0.00317166/step, 0.544469 hours remaining, 237.863281 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: 4382000 4003.9524 20718.1663 14480.2424 244.9198 -203231.4014 2306.9337 0.0000 0.0000 52463.8517 -109013.3351 301.5105 -161477.1868 -108645.5549 300.2015 -292.9431 -268.4783 761825.9274 4.9166 5.0883 PRESSURE: 4382200 133.867 -304.026 -87.5835 -304.025 -27.7539 -69.6132 -87.5832 -69.6126 -255.125 GPRESSURE: 4382200 171.655 -217.173 -175.624 -318.757 -39.4912 -70.5275 -101.392 -168.132 -203.85 PRESSAVG: 4382200 30.4666 -25.7754 34.7934 -25.7753 -34.9886 -9.74576 34.7935 -9.74571 -10.3271 GPRESSAVG: 4382200 30.706 -26.1248 34.0197 -24.2316 -35.7041 -10.037 31.1718 -11.8752 -9.99681 TIMING: 4382200 CPU: 13858, 0.0031496/step Wall: 13858, 0.0031496/step, 0.540506 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382200 3999.6453 20631.8994 14501.4585 241.5617 -203072.8311 2372.2035 0.0000 0.0000 52374.3187 -108951.7440 300.9959 -161326.0627 -108570.1279 300.6275 -49.6706 -23.8955 761191.4191 -4.9497 -4.9983 PRESSURE: 4382400 162.874 -52.2534 254.055 -52.2543 -26.265 -14.4786 254.055 -14.4791 329.886 GPRESSURE: 4382400 155.55 -12.9322 149.574 -12.3913 22.2056 70.928 320.182 -12.1421 360.496 PRESSAVG: 4382400 -27.5075 -15.6679 8.02784 -15.668 13.9683 4.53382 8.02786 4.53384 -4.28816 GPRESSAVG: 4382400 -29.7689 -14.2109 9.00836 -16.372 15.8275 4.76193 8.12111 8.43379 -3.47957 TIMING: 4382400 CPU: 13858.7, 0.00313835/step Wall: 13858.7, 0.00313835/step, 0.538402 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382400 4050.4972 20495.9504 14525.1064 230.7905 -203381.1192 2973.6988 0.0000 0.0000 52424.2897 -108680.7863 301.2831 -161105.0759 -108326.0169 300.7226 155.4984 179.4175 761692.8517 -5.9425 -5.8070 PRESSURE: 4382600 291.037 58.6873 -103.542 58.6876 -305.468 -33.2264 -103.542 -33.227 -267.32 GPRESSURE: 4382600 277.95 71.4503 -137.483 75.4995 -200.635 -154.486 -105.376 -128.072 -266.809 PRESSAVG: 4382600 40.2157 44.1663 9.11458 44.1663 -36.2649 36.2751 9.11456 36.2751 -21.4168 GPRESSAVG: 4382600 40.6119 41.5007 9.07542 42.0301 -36.7448 35.2987 10.2908 36.5375 -21.5254 TIMING: 4382600 CPU: 13859.3, 0.00313646/step Wall: 13859.3, 0.00313646/step, 0.537902 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382600 3989.4570 20590.5124 14541.6064 233.7090 -202917.1814 2670.4196 0.0000 0.0000 52189.3814 -108702.0954 299.9331 -160891.4768 -108341.9359 301.1436 -93.9169 -63.1648 762435.2775 -5.8220 -5.8861 PRESSURE: 4382800 -294.488 164.519 19.269 164.519 -135.751 -18.7785 19.2685 -18.7783 -134.479 GPRESSURE: 4382800 -303.454 130.292 -30.3052 172.877 -80.5535 36.5489 -112.777 -12.3435 -95.4673 PRESSAVG: 4382800 23.246 43.3026 -47.5603 43.3027 2.56789 -15.8467 -47.5602 -15.8468 3.94298 GPRESSAVG: 4382800 23.4383 43.2526 -47.118 43.6479 2.71297 -14.4015 -48.5933 -15.0563 3.81374 TIMING: 4382800 CPU: 13859.9, 0.00312835/step Wall: 13859.9, 0.00312835/step, 0.536338 hours remaining, 237.863281 MB of memory in use. ENERGY: 4382800 4042.2487 20726.2728 14488.2549 255.8730 -203312.2454 2670.5163 0.0000 0.0000 52376.2018 -108752.8779 301.0068 -161129.0797 -108383.9397 300.9297 -188.2396 -159.8250 761914.1391 9.9189 9.9883 PRESSURE: 4383000 430.008 27.1302 57.1926 27.1298 -46.5994 -67.087 57.1927 -67.0872 127.525 GPRESSURE: 4383000 416.857 43.9483 107.814 -14.3622 -41.8599 -14.692 31.2028 -87.6293 195.696 PRESSAVG: 4383000 -20.6784 -14.4657 22.8044 -14.4658 66.6777 16.9994 22.8045 16.9994 -4.43011 GPRESSAVG: 4383000 -21.1449 -14.2227 22.3684 -13.4697 66.0701 17.6058 22.4935 15.4306 -3.70097 TIMING: 4383000 CPU: 13860.6, 0.00314228/step Wall: 13860.6, 0.00314228/step, 0.538552 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383000 3987.4880 20562.6347 14530.5921 252.1094 -203423.5464 2751.2638 0.0000 0.0000 52411.8209 -108927.6377 301.2115 -161339.4586 -108557.9271 300.3075 170.3112 190.2311 760295.9735 13.8564 13.7414 PRESSURE: 4383200 82.1913 -115.8 10.6787 -115.799 70.7849 -90.7215 10.6783 -90.7217 331.567 GPRESSURE: 4383200 120.629 -151.034 -47.6941 -211.368 137.534 -10.7909 -114.445 -191.452 301.71 PRESSAVG: 4383200 7.92064 -48.9128 24.4898 -48.9127 -52.157 16.5366 24.4899 16.5366 -21.3295 GPRESSAVG: 4383200 7.91267 -48.7519 23.3235 -49.6276 -50.8673 15.4345 27.2975 15.3391 -22.6635 TIMING: 4383200 CPU: 13861.2, 0.00312864/step Wall: 13861.2, 0.00312864/step, 0.53604 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383200 3965.1552 20701.6369 14531.5034 264.8782 -203437.5271 2692.9987 0.0000 0.0000 52355.9796 -108925.3751 300.8905 -161281.3547 -108558.8016 300.3561 161.5143 186.6243 760647.8677 -21.8553 -21.8727 PRESSURE: 4383400 9.38198 -115.303 -92.2291 -115.303 -363.239 66.4126 -92.2289 66.4132 -60.1113 GPRESSURE: 4383400 23.5006 -141.325 -85.4679 2.33548 -327.734 77.3154 -88.3807 146.352 -20.4514 PRESSAVG: 4383400 62.9465 -26.0917 3.92438 -26.0917 -39.0236 8.91288 3.92436 8.91281 5.25529 GPRESSAVG: 4383400 63.2039 -27.9414 5.01126 -25.934 -39.6088 7.67075 0.881238 8.2791 6.23482 TIMING: 4383400 CPU: 13861.8, 0.00314609/step Wall: 13861.8, 0.00314609/step, 0.538855 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383400 3988.2530 20587.4364 14587.7280 270.3406 -203409.5778 2647.5481 0.0000 0.0000 52302.5890 -109025.6828 300.5837 -161328.2717 -108671.5498 300.2744 -137.9895 -108.2284 763196.3905 9.7261 9.9433 PRESSURE: 4383600 188.925 189.437 -88.141 189.438 308.847 -86.5015 -88.141 -86.5012 20.0807 GPRESSURE: 4383600 204.614 258.797 -31.1925 276.253 354.591 -110.329 -50.6591 -103.266 41.8642 PRESSAVG: 4383600 74.9958 17.8073 -19.6435 17.8073 -48.6673 54.5499 -19.6435 54.55 8.06818 GPRESSAVG: 4383600 74.4189 20.8737 -20.654 18.0598 -48.2775 56.2529 -17.7411 55.9441 7.75175 TIMING: 4383600 CPU: 13862.4, 0.00313247/step Wall: 13862.4, 0.00313247/step, 0.536349 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383600 4026.1879 20541.1248 14563.8183 238.1010 -203352.8366 2883.6148 0.0000 0.0000 52048.7128 -109051.2771 299.1247 -161099.9899 -108696.4645 299.9145 172.6173 200.3564 760901.2009 11.4656 11.2977 PRESSURE: 4383800 202.814 12.359 -211.728 12.3589 -224.649 182.289 -211.728 182.288 -126.852 GPRESSURE: 4383800 232.355 -95.9006 -126.621 13.0018 -180.459 206.404 -293.542 212.894 -109.859 PRESSAVG: 4383800 71.5671 -9.5046 50.9067 -9.50459 19.5762 32.6151 50.9067 32.6151 9.11556 GPRESSAVG: 4383800 72.094 -11.2568 51.8144 -9.51354 18.63 30.9669 51.668 31.3915 9.16983 TIMING: 4383800 CPU: 13863.1, 0.00312109/step Wall: 13863.1, 0.00312109/step, 0.534226 hours remaining, 237.863281 MB of memory in use. ENERGY: 4383800 4053.4507 20398.8073 14538.6590 252.2237 -203457.4869 2692.9134 0.0000 0.0000 52234.5380 -109286.8948 300.1926 -161521.4328 -108924.8184 299.7917 -49.5624 -19.3208 762083.5525 33.4196 33.2980 PRESSURE: 4384000 422.98 -95.0727 59.0582 -95.0728 173.368 -117.796 59.0584 -117.796 358.356 GPRESSURE: 4384000 391.372 -247.883 46.6567 -136.096 261.451 -109.334 82.4589 -37.8603 365.561 PRESSAVG: 4384000 -3.8654 -86.3945 49.7333 -86.3945 -24.0798 15.3338 49.7333 15.3338 13.175 GPRESSAVG: 4384000 -4.44463 -87.329 49.0271 -87.5165 -23.4379 16.9247 49.4515 15.0087 13.5727 TIMING: 4384000 CPU: 13863.7, 0.00312962/step Wall: 13863.7, 0.00312962/step, 0.535513 hours remaining, 237.863281 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: 4384000 3984.9257 20644.5212 14480.1629 258.5253 -203443.3236 2468.0893 0.0000 0.0000 52396.7419 -109210.3573 301.1248 -161607.0992 -108847.6241 299.7097 318.2345 339.4614 759557.8424 -4.9234 -4.7700 PRESSURE: 4384200 -132.042 -138.428 -4.71075 -138.428 -111.26 -276.293 -4.71171 -276.294 -257.571 GPRESSURE: 4384200 -31.7798 -24.814 72.2795 -103.298 -148.895 -230.985 -121.173 -258.545 -243.512 PRESSAVG: 4384200 5.72506 -30.1093 16.2944 -30.1093 -23.2056 -1.1501 16.2943 -1.15002 16.1955 GPRESSAVG: 4384200 6.34664 -28.1313 16.911 -31.1719 -23.7668 -3.25014 14.1331 1.20409 15.9311 TIMING: 4384200 CPU: 13864.3, 0.00313646/step Wall: 13864.3, 0.00313646/step, 0.536509 hours remaining, 237.863281 MB of memory in use. ENERGY: 4384200 3993.5084 20522.3287 14531.4678 255.9717 -203356.2018 2505.5198 0.0000 0.0000 52342.8694 -109204.5359 300.8152 -161547.4054 -108830.0235 299.8641 -166.9574 -141.3957 761084.2154 -0.4284 -0.4964 LDB: ============= START OF LOAD BALANCING ============== 13876.8 LDB: ============== END OF LOAD BALANCING =============== 13876.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13876.8 LDB: ============= START OF LOAD BALANCING ============== 13877.2 LDB: Largest compute 7068 load 0.032915 is 16.8% of average load 0.195580 LDB: Average compute 0.004391 is 2.2% of average load 0.195580 LDB: TIME 13877.2 LOAD: AVG 0.19558 MAX 0.215167 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.098 MB LDB: TIME 13877.2 LOAD: AVG 0.19558 MAX 0.215167 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.301 MB LDB: TIME 13877.2 LOAD: AVG 0.19558 MAX 0.215167 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.301 MB LDB: ============== END OF LOAD BALANCING =============== 13877.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13877.2 PRESSURE: 4384400 197.397 -147.568 -85.7015 -147.569 288.671 -95.1152 -85.7006 -95.116 181.042 GPRESSURE: 4384400 165.881 -173.592 -48.2672 -139.712 407.474 -67.3615 -106.49 -215.305 163.699 PRESSAVG: 4384400 -24.575 -7.3936 -11.2408 -7.39358 57.0054 -35.814 -11.2408 -35.814 18.4624 GPRESSAVG: 4384400 -24.8 -9.07161 -11.5912 -6.29221 56.8405 -34.766 -10.52 -36.6447 18.5645 TIMING: 4384400 CPU: 13865, 0.00319201/step Wall: 13865, 0.00319201/step, 0.545834 hours remaining, 235.125000 MB of memory in use. ENERGY: 4384400 4044.5197 20610.9360 14551.8946 240.6246 -203824.7500 2975.4595 0.0000 0.0000 52330.1722 -109071.1433 300.7422 -161401.3156 -108715.0797 300.4866 222.3698 245.6844 759833.5034 16.9643 16.8683 PRESSURE: 4384600 -308.418 41.2986 -45.261 41.2998 145.354 -262.258 -45.2608 -262.258 180.673 GPRESSURE: 4384600 -270.757 62.6889 -63.4588 -14.3362 148.733 -212.299 109.555 -208.878 222.812 PRESSAVG: 4384600 -22.2101 -24.9008 -12.6788 -24.9007 39.4156 -17.1298 -12.6788 -17.1299 9.23593 GPRESSAVG: 4384600 -21.7624 -23.5589 -14.0521 -25.7922 40.1159 -17.3721 -11.666 -16.9961 8.23122 TIMING: 4384600 CPU: 13865.6, 0.00312701/step Wall: 13865.6, 0.00312701/step, 0.534545 hours remaining, 235.328125 MB of memory in use. ENERGY: 4384600 3936.9597 20669.0926 14536.6478 230.0184 -203313.9218 2667.4497 0.0000 0.0000 51993.3929 -109280.3608 298.8067 -161273.7537 -108909.8013 300.0310 5.8699 33.5960 761523.1195 8.8138 8.8616 PRESSURE: 4384800 254.491 282.039 -32.3801 282.04 103.107 140.532 -32.3802 140.532 50.1707 GPRESSURE: 4384800 253.109 112.086 10.261 308.533 95.6901 231.251 24.2529 91.545 152.404 PRESSAVG: 4384800 -31.1124 -44.8463 -31.6557 -44.8462 18.9914 -15.1062 -31.6557 -15.1062 8.38221 GPRESSAVG: 4384800 -32.309 -46.7826 -31.7532 -42.4303 18.4595 -15.2367 -31.1695 -16.717 9.2362 TIMING: 4384800 CPU: 13866.2, 0.00312355/step Wall: 13866.2, 0.00312355/step, 0.53378 hours remaining, 235.328125 MB of memory in use. ENERGY: 4384800 3948.8733 20510.4680 14475.4490 258.6656 -203596.0584 2914.5521 0.0000 0.0000 52122.3155 -109365.7350 299.5477 -161488.0505 -109000.5297 299.5833 135.9230 167.0674 762279.5521 -1.2462 -1.5378 PRESSURE: 4385000 11.5189 -140.833 66.8962 -140.834 -117.09 -160.858 66.8955 -160.858 161.125 GPRESSURE: 4385000 82.3394 -221.281 5.65484 -260.999 -17.4995 -110.836 39.7739 -22.8293 80.2005 PRESSAVG: 4385000 2.09427 -34.16 -6.28194 -34.16 -13.5437 -21.0151 -6.282 -21.0151 6.96292 GPRESSAVG: 4385000 2.37132 -35.6212 -6.52525 -34.8579 -13.5852 -20.7377 -7.41746 -19.8682 6.81795 TIMING: 4385000 CPU: 13866.8, 0.00312778/step Wall: 13866.8, 0.00312778/step, 0.534329 hours remaining, 235.328125 MB of memory in use. ENERGY: 4385000 3982.6240 20415.2053 14438.1889 257.6509 -203598.6960 2818.3639 0.0000 0.0000 52386.3158 -109300.3472 301.0649 -161686.6630 -108940.2379 299.2754 18.5181 48.3468 760473.6716 -1.4955 -1.4653 PRESSURE: 4385200 -205.248 149.138 179.098 149.138 -179.293 -103.871 179.098 -103.87 244.496 GPRESSURE: 4385200 -170.771 66.8715 129.748 188.681 -118.468 -98.0254 141.912 -79.3472 241.47 PRESSAVG: 4385200 -14.7586 17.0327 4.39795 17.0327 31.2729 32.1514 4.39796 32.1515 19.258 GPRESSAVG: 4385200 -15.3186 18.3262 4.76841 17.9676 29.9585 31.9582 3.57914 32.0381 19.8469 TIMING: 4385200 CPU: 13867.5, 0.00313751/step Wall: 13867.5, 0.00313751/step, 0.535818 hours remaining, 235.328125 MB of memory in use. ENERGY: 4385200 3973.7281 20605.9908 14572.8883 241.3426 -203369.9195 2619.8761 0.0000 0.0000 51819.7285 -109536.3650 297.8087 -161356.0936 -109189.4831 299.6321 -46.6816 -15.9228 760551.8704 11.9241 11.4956 PRESSURE: 4385400 113.228 -186.517 106.514 -186.517 -117.446 302.136 106.514 302.136 185.184 GPRESSURE: 4385400 87.2259 -149.027 127.604 -238.734 -15.7234 270.56 142.214 267.589 186.665 PRESSAVG: 4385400 20.9351 -26.065 25.4695 -26.065 6.11127 33.266 25.4695 33.2659 -1.41692 GPRESSAVG: 4385400 21.564 -23.8451 26.7688 -28.2059 6.45476 35.082 23.5542 31.6822 -2.65264 TIMING: 4385400 CPU: 13868.1, 0.00314656/step Wall: 13868.1, 0.00314656/step, 0.537188 hours remaining, 235.328125 MB of memory in use. ENERGY: 4385400 4015.3514 20542.7639 14535.3567 245.0586 -203457.4537 2711.9686 0.0000 0.0000 51750.6998 -109656.2546 297.4120 -161406.9544 -109306.4988 298.8818 60.3223 86.0558 760358.4112 8.5431 8.4554 PRESSURE: 4385600 362.651 232.289 256.431 232.289 -47.9947 -97.799 256.432 -97.7991 377.328 GPRESSURE: 4385600 339.95 104.038 236.151 201.151 32.8822 -190.345 212.741 -81.77 404.253 PRESSAVG: 4385600 15.6452 12.8036 -17.7103 12.8036 -32.0917 22.6352 -17.7103 22.6352 -0.119372 GPRESSAVG: 4385600 14.8634 10.5026 -18.6584 13.7201 -29.7687 21.5448 -13.9658 25.122 -1.43023 TIMING: 4385600 CPU: 13868.7, 0.00314499/step Wall: 13868.7, 0.00314499/step, 0.536745 hours remaining, 235.328125 MB of memory in use. ENERGY: 4385600 3911.9817 20452.3850 14505.4464 263.4330 -203469.4790 2745.6630 0.0000 0.0000 51900.7640 -109689.8059 298.2744 -161590.5699 -109326.9203 298.5769 230.6613 259.0283 760075.3183 -5.5220 -5.4452 PRESSURE: 4385800 -327.523 -126.852 34.0789 -126.851 -460.038 -100.237 34.0787 -100.237 -308.547 GPRESSURE: 4385800 -387.262 -70.3902 12.4535 -168.361 -307.015 -120.72 -4.8982 -134.445 -308.453 PRESSAVG: 4385800 -21.4498 -10.6242 -28.1686 -10.6242 12.9487 37.3752 -28.1686 37.3753 10.9897 GPRESSAVG: 4385800 -21.339 -9.04556 -25.074 -11.1084 11.4063 37.6034 -30.8488 36.2757 12.5301 TIMING: 4385800 CPU: 13869.3, 0.00315032/step Wall: 13869.3, 0.00315032/step, 0.537479 hours remaining, 235.328125 MB of memory in use. ENERGY: 4385800 4091.1476 20491.7685 14470.0913 238.1379 -203325.0140 2609.0913 0.0000 0.0000 51998.4621 -109426.3153 298.8359 -161424.7774 -109072.6065 298.4444 -365.3696 -334.2434 761523.6167 0.8295 0.8658 PRESSURE: 4386000 79.8819 145.442 162.408 145.442 -141.585 90.6095 162.408 90.6091 -146.816 GPRESSURE: 4386000 139.739 132.375 130.519 187.888 -114.123 153.889 180.595 27.0528 -157.664 PRESSAVG: 4386000 13.8667 -9.73417 36.8677 -9.73406 -22.5766 18.5671 36.8676 18.5671 18.7887 GPRESSAVG: 4386000 13.1653 -9.75369 35.0409 -9.16564 -22.1275 17.7272 40.2136 19.6473 18.786 TIMING: 4386000 CPU: 13870, 0.00315007/step Wall: 13870, 0.00315007/step, 0.537262 hours remaining, 235.328125 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: 4386000 3974.5025 20586.3004 14466.9060 239.4517 -203354.2472 2642.7948 0.0000 0.0000 52139.1307 -109305.1610 299.6443 -161444.2917 -108941.9639 299.4675 -69.5065 -44.0160 762315.5797 3.3596 3.2746 PRESSURE: 4386200 445.676 -98.3424 289.971 -98.3431 177.722 -109.565 289.972 -109.565 22.0136 GPRESSURE: 4386200 420.213 -11.9543 229.377 -211.305 280.042 -32.5407 128.638 -118.205 38.3654 PRESSAVG: 4386200 -2.19521 25.1004 22.0526 25.1003 -19.4443 -24.1868 22.0526 -24.1869 14.505 GPRESSAVG: 4386200 -1.07101 25.5442 21.8126 26.5974 -20.2743 -24.9473 20.8349 -24.1669 14.6243 TIMING: 4386200 CPU: 13870.6, 0.00315536/step Wall: 13870.6, 0.00315536/step, 0.537989 hours remaining, 235.328125 MB of memory in use. ENERGY: 4386200 3976.5860 20426.7966 14417.8060 257.1034 -203868.8110 2929.1109 0.0000 0.0000 52412.2062 -109449.2019 301.2137 -161861.4081 -109086.1879 299.3516 215.1371 246.2065 762167.8278 -2.3782 -2.2404 PRESSURE: 4386400 42.4653 101.529 40.746 101.528 -262.926 -106.845 40.747 -106.845 -9.55776 GPRESSURE: 4386400 106.192 -1.62099 106.004 29.7144 -191.875 -154.733 -42.9644 -62.568 -54.312 PRESSAVG: 4386400 6.56207 0.879885 22.1862 0.879799 -0.109459 6.98467 22.1862 6.98465 13.1151 GPRESSAVG: 4386400 5.14793 0.830878 22.4644 -0.881052 -0.536503 7.57271 19.1522 5.87131 14.4487 TIMING: 4386400 CPU: 13871.2, 0.00313152/step Wall: 13871.2, 0.00313152/step, 0.533751 hours remaining, 235.328125 MB of memory in use. ENERGY: 4386400 3948.5280 20483.3461 14483.2598 239.9214 -203502.7765 2920.9879 0.0000 0.0000 52134.1007 -109292.6324 299.6154 -161426.7332 -108924.7186 299.5047 -76.6728 -46.6652 762248.9407 6.5226 6.3534 PRESSURE: 4386600 -28.0255 -2.5647 181.77 -2.56434 3.6489 62.9358 181.77 62.9361 61.8372 GPRESSURE: 4386600 130.587 -62.1846 140.286 6.14905 -55.1382 22.5521 294.001 85.2237 37.6896 PRESSAVG: 4386600 67.966 44.3276 2.68188 44.3276 -72.683 -16.5407 2.68188 -16.5408 -5.62342 GPRESSAVG: 4386600 69.4257 43.4112 2.41015 44.6936 -72.4126 -16.5217 4.28329 -15.3359 -7.35666 TIMING: 4386600 CPU: 13871.9, 0.00314029/step Wall: 13871.9, 0.00314029/step, 0.535071 hours remaining, 235.328125 MB of memory in use. ENERGY: 4386600 3977.6273 20666.8395 14546.3291 236.3710 -203457.5209 2920.7480 0.0000 0.0000 51763.8081 -109345.7978 297.4873 -161109.6059 -108990.7160 299.3486 12.4869 37.7129 762149.0887 -3.4468 -3.4479 PRESSURE: 4386800 479.939 53.0182 -148.679 53.0179 -202.855 -7.96546 -148.679 -7.96511 117.665 GPRESSURE: 4386800 456.482 38.7455 -194.504 6.39484 -110.311 54.4544 -86.5381 -48.165 131.373 PRESSAVG: 4386800 54.6742 -43.7854 -17.5655 -43.7855 -75.3529 8.46626 -17.5655 8.46634 -1.34885 GPRESSAVG: 4386800 53.8635 -45.3604 -17.2095 -41.1623 -73.9742 9.09348 -16.2159 6.53039 -1.94875 TIMING: 4386800 CPU: 13872.5, 0.00314083/step Wall: 13872.5, 0.00314083/step, 0.534987 hours remaining, 235.328125 MB of memory in use. ENERGY: 4386800 4038.8663 20678.1998 14562.2027 260.8510 -203595.3354 2672.6799 0.0000 0.0000 52209.7633 -109172.7724 300.0502 -161382.5357 -108810.7115 299.4728 131.5831 159.1810 760227.7219 -7.3425 -7.3531 PRESSURE: 4387000 107.459 -78.0724 -1.90057 -78.0714 238.502 406.592 -1.901 406.591 64.9092 GPRESSURE: 4387000 108.859 9.28539 -63.0098 -86.1253 283.075 354.26 -126.612 401.078 82.1993 PRESSAVG: 4387000 63.2966 -23.1197 -32.6403 -23.1197 -42.0285 17.5755 -32.6403 17.5756 19.6139 GPRESSAVG: 4387000 61.3413 -22.8627 -32.4605 -23.8348 -42.3007 17.7504 -34.3493 16.0847 21.3526 TIMING: 4387000 CPU: 13873.1, 0.00313013/step Wall: 13873.1, 0.00313013/step, 0.532992 hours remaining, 235.328125 MB of memory in use. ENERGY: 4387000 3908.5689 20729.0087 14531.9094 241.2483 -203655.7791 2673.7915 0.0000 0.0000 52385.5392 -109185.7133 301.0604 -161571.2524 -108823.7963 299.5923 136.9566 158.0443 760601.0789 13.6273 13.4644 PRESSURE: 4387200 -331.777 -114.953 7.53354 -114.954 -50.2586 28.6888 7.53425 28.6889 -388.239 GPRESSURE: 4387200 -206.409 -86.2819 19.0028 -72.6379 -69.7431 27.1089 -13.3458 100.704 -409.729 PRESSAVG: 4387200 37.7529 -8.12106 -8.85347 -8.121 32.5107 23.5933 -8.85355 23.5932 23.2192 GPRESSAVG: 4387200 38.5987 -5.07374 -10.9521 -10.1341 32.5553 23.6448 -6.83448 22.9891 22.3991 TIMING: 4387200 CPU: 13873.7, 0.00313145/step Wall: 13873.7, 0.00313145/step, 0.533042 hours remaining, 235.328125 MB of memory in use. ENERGY: 4387200 4092.8448 20735.0042 14546.2640 264.8423 -203030.6771 2178.8646 0.0000 0.0000 51973.4923 -109239.3648 298.6924 -161212.8572 -108874.7424 300.0465 -256.7584 -228.6271 760768.6885 31.1609 31.1844 PRESSURE: 4387400 84.5298 69.366 -158.769 69.3667 150.103 -189.011 -158.77 -189.011 -187.585 GPRESSURE: 4387400 167.989 -16.8685 -210.049 123.618 152.393 -202.605 -84.714 -171.217 -149.638 PRESSAVG: 4387400 18.3685 -24.0267 -17.7486 -24.0268 -23.9108 -26.542 -17.7486 -26.542 -23.6591 GPRESSAVG: 4387400 19.8653 -26.3817 -16.6278 -23.4254 -25.0234 -27.6112 -18.548 -23.7803 -23.8725 TIMING: 4387400 CPU: 13874.4, 0.00315229/step Wall: 13874.4, 0.00315229/step, 0.536415 hours remaining, 235.328125 MB of memory in use. ENERGY: 4387400 3962.6013 20588.4872 14526.7196 240.2401 -203298.4274 2587.5309 0.0000 0.0000 52127.9857 -109264.8625 299.5803 -161392.8483 -108901.7640 299.7957 15.6828 56.9148 761057.7203 -9.7338 -9.6769 PRESSURE: 4387600 -278.944 -44.0795 -39.7696 -44.0793 -242.794 203.478 -39.7699 203.478 12.6504 GPRESSURE: 4387600 -263.559 -37.7338 -39.7877 -45.0544 -126.606 149.194 -49.5981 91.0005 -28.3482 PRESSAVG: 4387600 60.1611 34.6687 -22.6595 34.6686 -46.8972 22.8736 -22.6595 22.8736 -11.54 GPRESSAVG: 4387600 59.4825 35.6547 -21.6069 34.9737 -46.3055 21.5907 -21.0441 20.9659 -11.1281 TIMING: 4387600 CPU: 13875, 0.00316218/step Wall: 13875, 0.00316218/step, 0.537923 hours remaining, 235.328125 MB of memory in use. ENERGY: 4387600 4080.0902 20401.4863 14497.8459 255.2308 -203387.7185 2590.0571 0.0000 0.0000 52134.3871 -109428.6209 299.6170 -161563.0080 -109061.3890 299.4401 -169.6958 -139.5041 762992.9557 0.5746 0.6830 PRESSURE: 4387800 -82.8765 167.175 -113.155 167.175 87.5912 11.422 -113.154 11.4224 287.555 GPRESSURE: 4387800 -33.0003 237.026 -122.967 114.303 63.7329 107.131 -63.8576 4.46247 353.469 PRESSAVG: 4387800 16.4709 -31.8047 -10.1232 -31.8048 -13.3473 38.5677 -10.1233 38.5677 11.23 GPRESSAVG: 4387800 16.3822 -32.3909 -10.6979 -31.9548 -13.1811 41.9081 -9.44091 38.6844 11.4802 TIMING: 4387800 CPU: 13875.6, 0.0031484/step Wall: 13875.6, 0.0031484/step, 0.535403 hours remaining, 235.328125 MB of memory in use. ENERGY: 4387800 3945.4083 20527.9817 14547.5425 252.9430 -203617.4545 2834.8802 0.0000 0.0000 51936.6126 -109572.0862 298.4804 -161508.6988 -109218.6995 299.2821 97.4233 128.0671 760229.6826 4.7845 4.8938 PRESSURE: 4388000 257.213 -64.0553 71.7685 -64.0568 -344.918 171.299 71.768 171.298 284.37 GPRESSURE: 4388000 270.265 -14.7207 19.1221 -40.0296 -342.232 125.185 38.0455 111.297 343.362 PRESSAVG: 4388000 -18.6462 -16.9441 15.3726 -16.9441 7.10121 45.5991 15.3725 45.5991 -13.3515 GPRESSAVG: 4388000 -18.3146 -15.4624 14.4289 -15.9861 6.726 43.8068 13.3359 46.3535 -14.0188 TIMING: 4388000 CPU: 13876.3, 0.00317492/step Wall: 13876.3, 0.00317492/step, 0.539737 hours remaining, 235.328125 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: 4388000 4010.1634 20538.3624 14423.3838 232.2233 -203538.6733 2748.1216 0.0000 0.0000 52197.1871 -109389.2318 299.9780 -161586.4189 -109035.4462 298.8998 65.5548 90.4649 762256.3117 -8.2988 -8.5358 PRESSURE: 4388200 138.812 -233.624 124.603 -233.624 -163.84 77.7675 124.603 77.7682 6.92443 GPRESSURE: 4388200 230.835 -326.431 135.136 -167.685 -139.063 28.4741 53.1717 70.3359 -40.2146 PRESSAVG: 4388200 56.518 -45.6705 30.8644 -45.6705 -22.4862 4.43552 30.8644 4.43562 13.1713 GPRESSAVG: 4388200 56.5512 -47.2169 31.2642 -46.9333 -22.6968 4.59659 30.5834 6.34846 13.2091 TIMING: 4388200 CPU: 13876.9, 0.00317181/step Wall: 13876.9, 0.00317181/step, 0.539032 hours remaining, 235.328125 MB of memory in use. ENERGY: 4388200 4031.2096 20671.7125 14520.5990 236.2034 -203285.0397 2556.7148 0.0000 0.0000 51888.3242 -109380.2762 298.2029 -161268.6004 -109010.9983 299.2123 -6.0346 17.1857 760850.1676 15.7344 15.6878 LDB: ============= START OF LOAD BALANCING ============== 13889.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13889.4 LDB: =============== DONE WITH MIGRATION ================ 13889.4 LDB: ============= START OF LOAD BALANCING ============== 13889.8 LDB: Largest compute 7077 load 0.032870 is 16.8% of average load 0.195615 LDB: Average compute 0.004401 is 2.2% of average load 0.195615 LDB: TIME 13889.8 LOAD: AVG 0.195615 MAX 0.217508 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.383 MB LDB: TIME 13889.8 LOAD: AVG 0.195615 MAX 0.217508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: TIME 13889.8 LOAD: AVG 0.195615 MAX 0.217508 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.383 MB LDB: ============== END OF LOAD BALANCING =============== 13889.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13889.8 PRESSURE: 4388400 358.144 -155.056 -8.86572 -155.056 -192.132 -220.566 -8.86622 -220.565 -450.61 GPRESSURE: 4388400 380.223 -121.471 -27.8376 -134.724 -144.587 -190.478 13.0061 -187.824 -449.988 PRESSAVG: 4388400 58.7417 -68.3965 27.8776 -68.3964 -48.4007 15.9198 27.8775 15.9199 -4.80814 GPRESSAVG: 4388400 57.744 -68.2819 26.5025 -68.6289 -47.9493 14.9678 29.0316 12.361 -4.87369 TIMING: 4388400 CPU: 13877.5, 0.0032226/step Wall: 13877.5, 0.0032226/step, 0.547484 hours remaining, 235.960938 MB of memory in use. ENERGY: 4388400 4001.3441 20559.5134 14518.9289 233.4319 -203321.6382 2710.3443 0.0000 0.0000 52109.5713 -109188.5042 299.4744 -161298.0755 -108829.1398 299.5817 -94.8663 -71.4506 761926.3495 1.8443 1.6403 PRESSURE: 4388600 305.375 -1.06276 20.677 -1.06314 24.3281 128.746 20.6766 128.746 388.534 GPRESSURE: 4388600 345.266 -4.57126 110.128 92.0152 86.7265 201.082 -35.6389 136.193 394.934 PRESSAVG: 4388600 5.84974 -0.439841 -7.69762 -0.439937 -7.10163 14.7768 -7.69768 14.7767 -17.0303 GPRESSAVG: 4388600 5.13082 -0.438168 -6.23192 0.235608 -7.26681 16.0692 -7.90444 17.3484 -16.2261 TIMING: 4388600 CPU: 13878.2, 0.00314723/step Wall: 13878.2, 0.00314723/step, 0.534504 hours remaining, 236.164062 MB of memory in use. ENERGY: 4388600 3996.2929 20528.1565 14454.6555 243.0176 -203548.7923 2897.4237 0.0000 0.0000 52310.2649 -109118.9812 300.6278 -161429.2461 -108764.4454 299.7776 239.4125 275.6423 761772.1391 -6.0941 -6.1207 PRESSURE: 4388800 -41.5138 -47.2035 -57.8434 -47.2038 -131.86 -18.123 -57.8427 -18.1235 11.2662 GPRESSURE: 4388800 -84.2875 -67.1111 53.1664 -22.3534 30.628 77.6512 -28.5674 57.033 -32.5932 PRESSAVG: 4388800 -35.9853 -35.9743 -32.9169 -35.9743 13.6476 0.588567 -32.9169 0.58845 9.24046 GPRESSAVG: 4388800 -35.9588 -36.0862 -31.5456 -34.5648 14.4287 0.663002 -33.9113 -2.47169 8.37417 TIMING: 4388800 CPU: 13878.8, 0.00316177/step Wall: 13878.8, 0.00316177/step, 0.536799 hours remaining, 236.164062 MB of memory in use. ENERGY: 4388800 4031.1354 20657.0827 14498.0492 256.2773 -203452.7026 2632.2685 0.0000 0.0000 52257.8190 -109120.0705 300.3264 -161377.8894 -108757.9166 299.6361 -54.0358 -28.7509 760660.6618 -4.3658 -4.3853 PRESSURE: 4389000 -245.268 80.1809 -11.3858 80.1804 -106.861 227.895 -11.386 227.895 366.316 GPRESSURE: 4389000 -185.486 47.4807 -68.859 -9.11435 -99.6713 198.385 -16.0154 244.612 387.229 PRESSAVG: 4389000 28.9294 38.7796 -18.3385 38.7797 -0.323073 -26.1845 -18.3385 -26.1845 -13.0402 GPRESSAVG: 4389000 29.5202 39.67 -20.6585 35.1863 -1.48654 -26.0307 -16.1111 -24.3749 -12.9684 TIMING: 4389000 CPU: 13879.4, 0.00313275/step Wall: 13879.4, 0.00313275/step, 0.531698 hours remaining, 236.164062 MB of memory in use. ENERGY: 4389000 3973.5284 20560.2235 14486.6902 246.9466 -203124.0842 2538.9905 0.0000 0.0000 52136.5731 -109181.1320 299.6296 -161317.7051 -108821.0307 299.8662 4.7290 34.0240 761312.0075 5.1887 5.0217 PRESSURE: 4389200 -61.4447 -176.019 123.54 -176.018 371.25 -51.9351 123.54 -51.9346 96.9014 GPRESSURE: 4389200 37.5725 41.9953 76.7268 -87.3858 292.635 -73.3904 161.468 -104.061 166.161 PRESSAVG: 4389200 -24.0968 -46.1091 -43.4023 -46.1091 21.2956 24.9868 -43.4022 24.9867 -11.6159 GPRESSAVG: 4389200 -24.8039 -43.7573 -42.8645 -45.5227 21.8984 24.0084 -43.9462 26.3579 -12.1103 TIMING: 4389200 CPU: 13880.1, 0.00314973/step Wall: 13880.1, 0.00314973/step, 0.534405 hours remaining, 236.164062 MB of memory in use. ENERGY: 4389200 4025.6061 20464.3341 14523.1583 245.2533 -203181.5245 2663.6855 0.0000 0.0000 52077.9157 -109181.5713 299.2925 -161259.4871 -108823.5745 299.3464 135.5689 165.4560 763744.2571 -4.8057 -5.0053 PRESSURE: 4389400 -183.286 -162.985 -96.7457 -162.986 -82.3419 -82.4241 -96.745 -82.4235 -114.488 GPRESSURE: 4389400 -241.877 -164.601 -177.68 -175.179 36.0786 -124.835 -68.4818 -100.396 -109.503 PRESSAVG: 4389400 -23.1398 -12.9451 -10.3697 -12.9451 3.22656 -22.6166 -10.3696 -22.6166 -10.3063 GPRESSAVG: 4389400 -21.4615 -14.3642 -10.7666 -10.9203 1.44951 -21.801 -11.1432 -24.3836 -9.41418 TIMING: 4389400 CPU: 13880.7, 0.00316044/step Wall: 13880.7, 0.00316044/step, 0.536046 hours remaining, 236.164062 MB of memory in use. ENERGY: 4389400 4047.3956 20684.8024 14448.2843 237.1657 -203051.6658 2450.8398 0.0000 0.0000 52034.4641 -109148.7139 299.0428 -161183.1780 -108783.9998 299.4263 -126.7054 -105.1003 762530.6260 -10.0732 -9.8087 PRESSURE: 4389600 136.875 62.7618 -70.6989 62.7623 443.488 -76.0896 -70.698 -76.0903 16.5135 GPRESSURE: 4389600 128.936 -49.9116 -100.645 101.484 522.321 -77.0696 -2.09971 -61.0491 33.1955 PRESSAVG: 4389600 8.52671 -12.9021 2.94476 -12.9021 -2.73805 30.4582 2.9447 30.458 16.9078 GPRESSAVG: 4389600 8.04392 -14.3975 4.82847 -12.9855 -1.44529 29.6055 2.49638 30.6525 16.2786 TIMING: 4389600 CPU: 13881.3, 0.00315319/step Wall: 13881.3, 0.00315319/step, 0.53464 hours remaining, 236.164062 MB of memory in use. ENERGY: 4389600 3977.4884 20581.1397 14493.3079 233.4508 -203289.6087 2722.4848 0.0000 0.0000 52099.9241 -109181.8132 299.4190 -161281.7372 -108820.6776 299.0050 198.9586 228.1507 761599.7090 7.5655 7.6257 PRESSURE: 4389800 -47.3916 174.597 75.1209 174.597 -100.955 6.92942 75.1204 6.92815 -229.788 GPRESSURE: 4389800 -9.05284 313.12 84.9895 90.3066 -88.9159 17.6123 8.17901 78.6478 -212.744 PRESSAVG: 4389800 -55.5041 -13.8486 1.20343 -13.8486 50.325 50.0747 1.20343 50.0747 -8.20139 GPRESSAVG: 4389800 -54.6332 -15.1534 -2.29637 -11.4245 49.2118 52.4668 5.06715 50.637 -7.7758 TIMING: 4389800 CPU: 13882, 0.00315493/step Wall: 13882, 0.00315493/step, 0.53476 hours remaining, 236.164062 MB of memory in use. ENERGY: 4389800 4031.5833 20617.9597 14550.9178 234.1682 -203269.4370 2542.7946 0.0000 0.0000 52189.7216 -109102.2919 299.9350 -161292.0135 -108740.9411 299.4237 -126.0449 -103.5709 761353.6234 -4.4601 -4.3991 PRESSURE: 4390000 -26.5649 22.419 9.51 22.4194 -135.511 150.313 9.51044 150.314 -563.419 GPRESSURE: 4390000 5.62907 -20.9806 51.6085 103.359 -54.4516 185.866 -37.443 99.5843 -593.406 PRESSAVG: 4390000 -5.91287 17.2919 25.2405 17.2918 29.209 12.9225 25.2405 12.9226 -18.5035 GPRESSAVG: 4390000 -6.83067 19.5302 26.6571 15.1872 30.2365 13.0227 22.8574 11.5334 -18.3353 TIMING: 4390000 CPU: 13882.6, 0.00316591/step Wall: 13882.6, 0.00316591/step, 0.536446 hours remaining, 236.164062 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: 4390000 3952.3759 20586.5131 14558.4401 271.8518 -202947.3776 2174.2436 0.0000 0.0000 52186.4147 -109217.5385 299.9160 -161403.9532 -108844.5882 299.9103 -241.8316 -214.0763 760855.0581 1.5975 1.6902 PRESSURE: 4390200 -297.317 149.233 -24.4184 149.233 -130.781 78.5944 -24.4182 78.5943 63.4224 GPRESSURE: 4390200 -261.225 113.062 -8.23494 121.919 -45.694 27.4006 -119.072 76.9025 43.6279 PRESSAVG: 4390200 -59.3875 28.5632 -11.6942 28.5632 81.223 46.2896 -11.6942 46.2895 -8.56467 GPRESSAVG: 4390200 -59.1249 25.3566 -11.7152 31.7757 81.2363 44.1227 -11.2182 46.5393 -8.98845 TIMING: 4390200 CPU: 13883.2, 0.00317294/step Wall: 13883.2, 0.00317294/step, 0.537461 hours remaining, 236.164062 MB of memory in use. ENERGY: 4390200 4036.3396 20721.6567 14538.8354 247.0498 -203484.0236 2766.4969 0.0000 0.0000 52013.0102 -109160.6350 298.9195 -161173.6452 -108799.0630 299.8934 -121.5586 -87.7638 763136.9646 4.4236 4.3743 PRESSURE: 4390400 -410.866 147.769 108.444 147.769 -24.9839 -5.26503 108.444 -5.26495 -71.8476 GPRESSURE: 4390400 -261.86 72.4057 81.333 58.6057 -73.2565 18.476 84.9174 -63.3635 -69.8129 PRESSAVG: 4390400 1.88848 2.44091 27.3579 2.44091 -12.8992 28.1579 27.3579 28.1578 -18.3668 GPRESSAVG: 4390400 1.93594 2.72582 25.9371 0.833439 -13.2164 27.8198 29.122 26.9161 -18.2237 TIMING: 4390400 CPU: 13883.9, 0.00316636/step Wall: 13883.9, 0.00316636/step, 0.53617 hours remaining, 236.164062 MB of memory in use. ENERGY: 4390400 3955.2008 20457.7285 14484.0477 231.7999 -203190.2775 2437.4644 0.0000 0.0000 52195.3840 -109428.6521 299.9676 -161624.0362 -109058.6888 299.9925 -169.2324 -134.9763 760762.7563 -9.7925 -9.8347 PRESSURE: 4390600 112.085 39.6494 -1.9117 39.6509 -122.272 131.786 -1.91218 131.786 -379.522 GPRESSURE: 4390600 141.474 111.743 11.2808 78.0188 -134.552 116.048 -109.315 196.329 -315.558 PRESSAVG: 4390600 -2.61003 18.9581 1.69681 18.958 -8.35574 4.20223 1.69683 4.20224 -5.71192 GPRESSAVG: 4390600 -2.98504 20.3598 1.73085 18.6827 -7.82249 4.86399 -0.909982 6.61529 -6.04616 TIMING: 4390600 CPU: 13884.5, 0.00315238/step Wall: 13884.5, 0.00315238/step, 0.533627 hours remaining, 236.164062 MB of memory in use. ENERGY: 4390600 3917.6142 20568.7536 14531.2641 235.7360 -203080.6383 2246.4932 0.0000 0.0000 52199.8769 -109380.9003 299.9934 -161580.7771 -109015.8342 298.9722 -129.9031 -102.8787 761792.9633 -5.5592 -5.6179 PRESSURE: 4390800 283.131 23.5117 -9.63602 23.5117 -69.3761 55.3805 -9.63555 55.3808 266.368 GPRESSURE: 4390800 264.681 -206.862 -61.8883 61.9419 26.7629 53.4819 5.2362 40.3196 276.556 PRESSAVG: 4390800 24.985 -6.71827 53.8605 -6.71829 -5.08322 -7.52605 53.8604 -7.52601 3.68191 GPRESSAVG: 4390800 25.7169 -6.24907 56.8508 -9.25517 -5.20754 -6.24485 52.0611 -8.16408 2.98184 TIMING: 4390800 CPU: 13885.1, 0.00315047/step Wall: 13885.1, 0.00315047/step, 0.53313 hours remaining, 236.164062 MB of memory in use. ENERGY: 4390800 4026.8747 20612.0013 14536.6618 239.6705 -203257.3060 2536.3132 0.0000 0.0000 51913.2950 -109392.4896 298.3464 -161305.7846 -109034.6431 299.5964 160.0407 189.3333 760043.6246 7.8612 7.8304 PRESSURE: 4391000 -500.99 -343.312 186.959 -343.312 9.46139 -82.7631 186.959 -82.7634 59.5416 GPRESSURE: 4391000 -370.92 -257.709 221.445 -300.225 18.5438 -47.7715 71.5163 6.68428 24.0017 PRESSAVG: 4391000 38.1528 -38.7765 24.8333 -38.7765 -12.1184 18.9953 24.8333 18.9953 0.418603 GPRESSAVG: 4391000 36.7124 -37.2356 24.3643 -36.4551 -12.1133 18.2979 25.7842 17.544 1.16373 TIMING: 4391000 CPU: 13885.7, 0.00314321/step Wall: 13885.7, 0.00314321/step, 0.531726 hours remaining, 236.164062 MB of memory in use. ENERGY: 4391000 3939.9871 20569.2229 14573.3582 232.6171 -203275.6613 2423.1728 0.0000 0.0000 51972.1115 -109565.1918 298.6844 -161537.3033 -109197.4891 299.2789 -143.9957 -109.4581 760618.0961 8.8177 8.5876 PRESSURE: 4391200 -128.697 -176.108 -16.6851 -176.109 547.019 42.0552 -16.6853 42.0543 305.15 GPRESSURE: 4391200 42.18 -119.251 -32.462 -156.261 426.229 24.372 16.9384 82.4502 336.678 PRESSAVG: 4391200 -24.4665 -36.8456 -46.2092 -36.8456 33.6636 4.51015 -46.2093 4.51009 9.32894 GPRESSAVG: 4391200 -23.9406 -37.7993 -47.0286 -37.2416 31.2734 2.17243 -44.2422 7.42233 10.8525 TIMING: 4391200 CPU: 13886.4, 0.00314981/step Wall: 13886.4, 0.00314981/step, 0.532668 hours remaining, 236.164062 MB of memory in use. ENERGY: 4391200 3918.9328 20536.5660 14530.2207 237.2738 -203452.6149 2743.9256 0.0000 0.0000 51983.0691 -109502.6269 298.7474 -161485.6960 -109142.3368 298.9444 241.1572 268.3624 761817.8363 6.1753 6.0618 PRESSURE: 4391400 -46.1533 -111.297 76.5445 -111.297 12.5746 233.377 76.5439 233.378 -157.631 GPRESSURE: 4391400 91.4162 -184.341 115.162 -157.544 -61.2128 144.018 118.166 289.025 -140.967 PRESSAVG: 4391400 36.5172 -80.6112 11.5047 -80.6113 -3.5402 29.0955 11.5047 29.0955 -18.6898 GPRESSAVG: 4391400 36.892 -81.7776 11.7616 -80.3932 -2.36842 30.7766 12.4197 28.3863 -20.1698 TIMING: 4391400 CPU: 13887, 0.00314571/step Wall: 13887, 0.00314571/step, 0.531799 hours remaining, 236.164062 MB of memory in use. ENERGY: 4391400 4016.2696 20491.6705 14540.9182 251.7415 -203811.6457 2881.1386 0.0000 0.0000 51842.5123 -109787.3950 297.9396 -161629.9072 -109424.0178 298.9496 -63.7365 -36.9212 761628.0101 4.7624 4.7846 PRESSURE: 4391600 -90.168 34.4175 45.3466 34.4176 -130.974 48.1555 45.3461 48.1561 -386.671 GPRESSURE: 4391600 -165.218 48.0748 69.13 -13.8441 -47.8899 38.397 96.2487 71.6879 -321.043 PRESSAVG: 4391600 6.63101 -4.28758 -7.38551 -4.28756 -21.0232 43.0833 -7.38552 43.0834 16.2183 GPRESSAVG: 4391600 6.77451 -2.52636 -7.32127 -7.29868 -20.7369 43.176 -9.56946 42.3001 15.8369 TIMING: 4391600 CPU: 13887.6, 0.00313436/step Wall: 13887.6, 0.00313436/step, 0.529706 hours remaining, 236.164062 MB of memory in use. ENERGY: 4391600 4063.2602 20541.5663 14435.0831 246.5652 -203574.0418 2461.9202 0.0000 0.0000 52009.1450 -109816.5017 298.8973 -161825.6467 -109462.7760 298.5627 -202.6044 -178.0503 761655.4490 0.6087 0.6248 PRESSURE: 4391800 114.061 -172.816 -103.203 -172.815 85.2607 32.1381 -103.202 32.1381 -46.2152 GPRESSURE: 4391800 190.433 -126.859 -68.2457 -81.6187 81.4978 -16.3008 -193.1 -7.89341 -41.4444 PRESSAVG: 4391800 -31.8757 -6.46454 -18.362 -6.46458 -3.82717 19.9719 -18.362 19.9719 -7.46213 GPRESSAVG: 4391800 -32.7979 -6.62008 -18.0472 -1.68494 -3.31212 19.4807 -18.4539 19.3497 -7.13616 TIMING: 4391800 CPU: 13888.3, 0.00314908/step Wall: 13888.3, 0.00314908/step, 0.53202 hours remaining, 236.164062 MB of memory in use. ENERGY: 4391800 4118.5544 20567.1179 14529.5471 238.2527 -203603.5455 2753.5854 0.0000 0.0000 51848.1987 -109548.2893 297.9723 -161396.4879 -109200.3457 298.8155 51.0355 76.8289 760526.4375 -14.3883 -14.4154 PRESSURE: 4392000 136.502 262.152 -72.8228 262.151 404.356 -115.404 -72.8223 -115.405 33.9753 GPRESSURE: 4392000 199.684 311.589 -51.1704 304.667 359.824 -57.2093 -69.6839 -125.944 103.322 PRESSAVG: 4392000 14.7065 -52.5348 -29.9011 -52.5348 7.42815 38.3174 -29.9011 38.3175 -6.49285 GPRESSAVG: 4392000 14.7787 -53.9047 -29.2428 -54.4596 7.52573 37.365 -29.7673 40.4511 -6.56275 TIMING: 4392000 CPU: 13888.9, 0.00315144/step Wall: 13888.9, 0.00315144/step, 0.532242 hours remaining, 236.164062 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: 4392000 4004.7980 20403.3773 14507.8744 251.4784 -204042.0277 3084.3216 0.0000 0.0000 52221.7966 -109568.3814 300.1194 -161790.1780 -109203.1792 298.9478 191.6114 220.9434 759767.7090 5.2139 5.2472 PRESSURE: 4392200 -33.8592 -70.8065 -236.247 -70.8063 414.602 -6.67522 -236.246 -6.6753 -414.59 GPRESSURE: 4392200 3.61528 -94.9826 -218.71 -175.976 352.365 97.4919 0.0737848 -113.901 -319.061 PRESSAVG: 4392200 32.6029 -29.1809 34.2245 -29.1808 17.3092 23.2649 34.2245 23.2649 -3.60426 GPRESSAVG: 4392200 33.3302 -27.6359 32.0646 -30.1291 16.3852 24.4564 34.8195 20.2086 -3.83417 TIMING: 4392200 CPU: 13889.5, 0.00315916/step Wall: 13889.5, 0.00315916/step, 0.533371 hours remaining, 236.164062 MB of memory in use. ENERGY: 4392200 4022.5712 20536.7999 14522.2651 246.8347 -203586.8487 2811.5780 0.0000 0.0000 51887.8021 -109558.9977 298.1999 -161446.7997 -109202.3670 298.5263 -11.2824 12.3063 761639.2997 15.4360 15.2938 LDB: ============= START OF LOAD BALANCING ============== 13902.1 LDB: ============== END OF LOAD BALANCING =============== 13902.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13902.1 LDB: ============= START OF LOAD BALANCING ============== 13902.4 LDB: Largest compute 7077 load 0.033131 is 16.9% of average load 0.195498 LDB: Average compute 0.004409 is 2.3% of average load 0.195498 LDB: TIME 13902.4 LOAD: AVG 0.195498 MAX 0.213692 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.145 MB LDB: TIME 13902.4 LOAD: AVG 0.195498 MAX 0.213692 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: TIME 13902.4 LOAD: AVG 0.195498 MAX 0.213692 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.348 MB LDB: ============== END OF LOAD BALANCING =============== 13902.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13902.4 PRESSURE: 4392400 262.375 -129.422 -100.608 -129.422 151.379 186.512 -100.607 186.512 114.737 GPRESSURE: 4392400 274.511 -169.938 -112.847 -105.638 249.101 182.159 -175.24 185.019 77.7509 PRESSAVG: 4392400 -13.1032 -52.1396 -10.8749 -52.1396 -14.4003 4.88865 -10.8749 4.8886 -8.17346 GPRESSAVG: 4392400 -12.6724 -53.587 -9.78881 -52.0759 -14.2696 3.64157 -11.177 7.57677 -8.85819 TIMING: 4392400 CPU: 13890.2, 0.00324807/step Wall: 13890.2, 0.00324807/step, 0.548201 hours remaining, 236.953125 MB of memory in use. ENERGY: 4392400 3952.3692 20480.2942 14458.8898 258.6166 -203256.5107 2513.3786 0.0000 0.0000 51800.7863 -109792.1760 297.6998 -161592.9623 -109437.1388 298.4452 176.1636 200.4542 760085.4065 -11.8923 -11.9334 PRESSURE: 4392600 323.975 15.8043 41.0365 15.8038 315.017 -114.933 41.0362 -114.934 505.506 GPRESSURE: 4392600 358.96 47.1199 76.2994 16.639 343.296 -181.103 -0.266639 -2.4198 531.073 PRESSAVG: 4392600 -0.352909 -0.999755 12.8713 -0.999716 13.3334 21.6789 12.8714 21.6788 10.4842 GPRESSAVG: 4392600 -1.43456 0.00499522 12.5071 0.0823848 14.1942 20.4954 16.0522 21.4179 10.7863 TIMING: 4392600 CPU: 13890.8, 0.00315696/step Wall: 13890.8, 0.00315696/step, 0.532649 hours remaining, 237.136719 MB of memory in use. ENERGY: 4392600 3964.9657 20421.9133 14551.4796 262.0863 -204182.9157 3173.0089 0.0000 0.0000 52128.6404 -109680.8216 299.5840 -161809.4620 -109309.5555 298.0722 381.4991 411.1096 759702.1232 7.8216 7.8486 PRESSURE: 4392800 -11.6739 74.3828 -96.9462 74.3834 -14.1219 43.1313 -96.9459 43.1323 -192.864 GPRESSURE: 4392800 137.623 58.045 -51.72 60.9267 -39.6059 102.073 3.17646 -11.5086 -228.026 PRESSAVG: 4392800 16.6571 -18.852 -21.5551 -18.852 -1.46435 6.08296 -21.5551 6.08298 8.40203 GPRESSAVG: 4392800 15.8745 -19.7328 -20.3814 -18.3629 -1.74423 6.09794 -23.8015 6.32382 9.71239 TIMING: 4392800 CPU: 13891.4, 0.0031492/step Wall: 13891.4, 0.0031492/step, 0.531165 hours remaining, 237.136719 MB of memory in use. ENERGY: 4392800 4067.7421 20449.7275 14522.5797 231.4608 -204134.1674 3230.3058 0.0000 0.0000 52083.9976 -109548.3539 299.3275 -161632.3516 -109197.9224 298.8915 -72.8865 -43.3365 761381.5188 7.8649 7.9475 PRESSURE: 4393000 -235.256 -90.5741 -193.093 -90.5739 -132.466 97.0571 -193.093 97.0575 -105.377 GPRESSURE: 4393000 -259.762 -95.1939 -95.6003 -153.705 -50.8236 81.109 -130.821 72.7501 -75.5202 PRESSAVG: 4393000 33.8294 16.5279 11.3767 16.5279 -26.1991 4.59392 11.3767 4.59384 -18.3089 GPRESSAVG: 4393000 34.4817 16.1642 10.4035 15.7839 -25.3315 6.67954 10.4339 1.0801 -19.96 TIMING: 4393000 CPU: 13892.1, 0.0031469/step Wall: 13892.1, 0.0031469/step, 0.530602 hours remaining, 237.136719 MB of memory in use. ENERGY: 4393000 3932.5036 20615.6036 14565.3780 257.0208 -203025.4665 2141.4530 0.0000 0.0000 52210.0094 -109303.4981 300.0516 -161513.5075 -108941.4096 299.3755 -157.6999 -128.7019 760890.5109 -3.5595 -3.6033 PRESSURE: 4393200 40.1052 107.581 10.9223 107.581 -334.338 16.994 10.9221 16.9935 -370.726 GPRESSURE: 4393200 77.9084 98.2652 62.3114 122.581 -178.369 -16.5955 58.0833 -10.3119 -478.12 PRESSAVG: 4393200 54.3159 82.7838 -34.8634 82.7838 2.01569 19.2504 -34.8634 19.2503 8.8057 GPRESSAVG: 4393200 54.6794 84.0215 -34.6038 81.3302 1.28704 18.8229 -35.0083 22.5109 9.74943 TIMING: 4393200 CPU: 13892.7, 0.00314729/step Wall: 13892.7, 0.00314729/step, 0.530493 hours remaining, 237.136719 MB of memory in use. ENERGY: 4393200 4045.0654 20404.9589 14531.0567 238.9950 -203267.2816 2749.9544 0.0000 0.0000 52130.6719 -109166.5793 299.5957 -161297.2512 -108808.9099 299.8453 -221.6527 -192.8602 761751.5004 21.7124 21.9053 PRESSURE: 4393400 319.57 6.00508 -12.6528 6.00436 444.159 -63.6917 -12.6524 -63.6908 66.8272 GPRESSURE: 4393400 322.557 -1.73229 -51.3084 -8.36518 478.176 42.9248 -196.402 -152.226 127.513 PRESSAVG: 4393400 -32.4657 44.0272 33.1862 44.0271 28.8611 21.0725 33.1862 21.0725 2.94449 GPRESSAVG: 4393400 -32.387 44.521 33.2323 45.41 29.3506 21.4491 33.3248 20.0907 2.80828 TIMING: 4393400 CPU: 13893.3, 0.00315887/step Wall: 13893.3, 0.00315887/step, 0.532269 hours remaining, 237.136719 MB of memory in use. ENERGY: 4393400 4028.3101 20380.9330 14513.9175 257.2184 -203314.5154 2758.5840 0.0000 0.0000 52133.2793 -109242.2731 299.6107 -161375.5524 -108883.1182 299.3015 276.8519 309.4155 759931.8645 -0.2200 -0.0761 PRESSURE: 4393600 72.432 5.52535 282.562 5.52517 -58.2083 253.987 282.563 253.987 304.804 GPRESSURE: 4393600 62.562 -89.3434 291.864 93.5835 26.7102 276.252 207.285 224.27 308.699 PRESSAVG: 4393600 -31.3484 -15.7079 21.0086 -15.708 8.77465 23.6773 21.0086 23.6773 -5.63185 GPRESSAVG: 4393600 -31.7224 -17.0554 19.3455 -14.0265 7.88073 24.8414 20.5147 24.7325 -4.68055 TIMING: 4393600 CPU: 13894, 0.00315212/step Wall: 13894, 0.00315212/step, 0.530957 hours remaining, 237.136719 MB of memory in use. ENERGY: 4393600 3864.8456 20439.6561 14531.1790 250.4939 -203073.2574 2637.1760 0.0000 0.0000 52156.0490 -109193.8577 299.7415 -161349.9067 -108835.3376 299.6064 106.3426 132.6572 761996.9972 -9.4019 -9.5074 PRESSURE: 4393800 -69.5808 70.2394 97.4875 70.2394 -190.683 121.36 97.4871 121.36 278.351 GPRESSURE: 4393800 -73.4091 -16.5835 62.0968 73.2903 -25.4223 157.315 181.426 80.0293 204.368 PRESSAVG: 4393800 -28.4881 -81.5234 48.4099 -81.5234 38.5154 62.3168 48.4099 62.3167 14.4842 GPRESSAVG: 4393800 -29.4207 -81.1339 47.909 -84.2082 40.5655 62.0644 51.8885 63.1964 13.8317 TIMING: 4393800 CPU: 13894.6, 0.00313291/step Wall: 13894.6, 0.00313291/step, 0.527548 hours remaining, 237.136719 MB of memory in use. ENERGY: 4393800 3949.5526 20437.0955 14429.3476 249.1486 -203380.7549 2692.0033 0.0000 0.0000 52286.9087 -109336.6988 300.4936 -161623.6074 -108964.9266 299.5381 6.0292 35.1788 761491.8145 8.1705 8.3255 PRESSURE: 4394000 -159.364 -96.9923 60.1041 -96.9921 -1.9322 84.1876 60.1048 84.1869 122.279 GPRESSURE: 4394000 -46.2243 -128.951 88.3747 -24.4339 -0.851125 150.855 87.5477 34.2308 88.8115 PRESSAVG: 4394000 30.2126 -61.7723 -10.7438 -61.7723 -28.7041 38.1023 -10.7438 38.1023 5.56936 GPRESSAVG: 4394000 30.0825 -62.3362 -9.22972 -61.2076 -28.514 37.6962 -12.8568 38.8015 5.57405 TIMING: 4394000 CPU: 13895.2, 0.00314636/step Wall: 13895.2, 0.00314636/step, 0.529638 hours remaining, 237.136719 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: 4394000 4006.5504 20479.2936 14560.5365 251.1675 -203264.6394 2575.1284 0.0000 0.0000 51965.3435 -109426.6194 298.6455 -161391.9629 -109061.7089 299.0818 -13.0056 13.9120 761196.8425 2.3593 2.3809 PRESSURE: 4394200 135.261 -2.99657 53.2015 -2.99624 86.5002 54.9037 53.2016 54.9029 -106.792 GPRESSURE: 4394200 146.602 -20.1281 11.568 -140.618 112.906 98.2654 153.492 91.8274 -54.2381 PRESSAVG: 4394200 -11.5909 -26.542 60.2406 -26.542 28.2487 67.8152 60.2406 67.8152 7.04137 GPRESSAVG: 4394200 -10.9138 -24.6062 60.0412 -25.305 28.0504 67.2719 59.6743 66.6432 6.28065 TIMING: 4394200 CPU: 13895.8, 0.00314264/step Wall: 13895.8, 0.00314264/step, 0.528836 hours remaining, 237.136719 MB of memory in use. ENERGY: 4394200 3962.2000 20464.0204 14596.5364 235.3771 -203333.7281 2505.7431 0.0000 0.0000 52084.0880 -109485.7631 299.3280 -161569.8511 -109122.4946 299.0671 38.3233 68.4232 761144.3759 7.8997 7.8058 PRESSURE: 4394400 -61.7994 122.684 96.9737 122.684 -75.0793 -28.4248 96.974 -28.4244 -374.249 GPRESSURE: 4394400 -55.9488 31.6479 157.826 134.727 8.32424 -25.9111 16.847 2.41301 -381.698 PRESSAVG: 4394400 18.1489 -40.6675 0.0178093 -40.6675 -10.0531 -0.321992 0.0178201 -0.32203 -8.57737 GPRESSAVG: 4394400 18.2364 -42.0118 0.232858 -43.4866 -10.3535 -0.388764 0.139139 -0.941748 -7.86406 TIMING: 4394400 CPU: 13896.5, 0.00314313/step Wall: 13896.5, 0.00314313/step, 0.528744 hours remaining, 237.136719 MB of memory in use. ENERGY: 4394400 3967.8891 20656.1069 14495.8088 251.5231 -202753.3841 2159.9023 0.0000 0.0000 51952.9672 -109269.1867 298.5744 -161222.1539 -108915.0690 298.6301 -170.3761 -143.1075 760560.6462 -0.1605 0.0063 PRESSURE: 4394600 225.258 -128.18 -61.4759 -128.181 -118.692 174.138 -61.4768 174.139 -46.4051 GPRESSURE: 4394600 172.661 -48.33 -83.0227 -111.265 -12.1264 124.634 -105.287 96.0613 -10.0031 PRESSAVG: 4394600 -6.94906 4.94504 -24.5979 4.94502 73.2924 -36.9089 -24.5979 -36.9089 -9.66944 GPRESSAVG: 4394600 -6.76088 6.25575 -26.5552 5.31445 73.3716 -37.1666 -23.2388 -33.9872 -9.65984 TIMING: 4394600 CPU: 13897.1, 0.00314586/step Wall: 13897.1, 0.00314586/step, 0.52903 hours remaining, 237.136719 MB of memory in use. ENERGY: 4394600 3919.0995 20278.3617 14466.0119 261.6477 -202882.1115 2577.0110 0.0000 0.0000 52150.3745 -109229.6051 299.7089 -161379.9796 -108857.4799 298.9912 20.0537 50.1771 763842.5673 18.8913 18.9836 PRESSURE: 4394800 53.9206 -202.677 -199.745 -202.677 -229.108 -84.9032 -199.745 -84.9044 -563.758 GPRESSURE: 4394800 83.6666 -171.943 -137.124 -272.467 -269.549 -128.881 -105.573 -69.6041 -475.904 PRESSAVG: 4394800 -30.9032 -38.9066 40.3523 -38.9067 29.0462 -7.35081 40.3523 -7.35075 3.99699 GPRESSAVG: 4394800 -29.415 -41.3732 42.037 -38.3547 27.7014 -6.23376 39.0971 -12.1548 3.66834 TIMING: 4394800 CPU: 13897.7, 0.00315281/step Wall: 13897.7, 0.00315281/step, 0.530022 hours remaining, 237.136719 MB of memory in use. ENERGY: 4394800 4006.7951 20487.0773 14577.6259 251.1632 -203263.5704 2567.5173 0.0000 0.0000 51993.6517 -109379.7399 298.8082 -161373.3916 -109017.7073 299.2595 -246.3153 -220.5954 762037.8542 0.7133 0.6516 PRESSURE: 4395000 134.451 57.8215 162.373 57.8206 -94.947 67.4752 162.373 67.4753 73.6718 GPRESSURE: 4395000 238.934 74.2453 164.677 -12.4037 -81.3607 52.6972 59.9153 140.563 48.7634 PRESSAVG: 4395000 -34.8448 -3.26949 -39.5014 -3.26947 53.1659 -24.5565 -39.5014 -24.5566 0.789093 GPRESSAVG: 4395000 -36.0263 -3.65883 -40.8496 -2.11626 54.4161 -24.8504 -37.8064 -22.0355 1.15055 TIMING: 4395000 CPU: 13898.4, 0.00314951/step Wall: 13898.4, 0.00314951/step, 0.529293 hours remaining, 237.136719 MB of memory in use. ENERGY: 4395000 3945.6101 20428.9827 14522.5588 239.3581 -203611.0971 2850.2720 0.0000 0.0000 51999.2491 -109625.0663 298.8404 -161624.3154 -109256.4023 298.6055 37.7254 68.7788 762290.6502 6.3701 6.5134 PRESSURE: 4395200 34.449 -26.4591 98.8132 -26.4595 -114.897 -118.134 98.8142 -118.135 -369.409 GPRESSURE: 4395200 92.7764 -65.5888 87.2401 -9.54829 -38.8027 -86.4754 76.4723 -195.083 -423.587 PRESSAVG: 4395200 -24.6133 -6.35531 0.450131 -6.35535 -0.410909 16.0036 0.450124 16.0035 4.09629 GPRESSAVG: 4395200 -24.4126 -5.88125 0.605816 -6.26154 0.0106942 16.6938 -0.700096 14.1182 3.60264 TIMING: 4395200 CPU: 13899, 0.00313511/step Wall: 13899, 0.00313511/step, 0.526698 hours remaining, 237.136719 MB of memory in use. ENERGY: 4395200 4046.9744 20558.2933 14499.1895 237.8941 -203495.4711 2747.3921 0.0000 0.0000 51718.1593 -109687.5684 297.2250 -161405.7277 -109334.7650 298.1228 -149.9524 -123.2045 762516.1513 -6.9760 -6.9331 PRESSURE: 4395400 -336.114 -122.634 -201.444 -122.634 -27.0462 181.329 -201.444 181.33 -111.588 GPRESSURE: 4395400 -265.379 13.1833 -159.886 -217.865 -25.9092 184.109 -151.639 232.824 -87.6578 PRESSAVG: 4395400 -33.4873 -65.8371 5.91846 -65.8371 33.3671 -27.8218 5.91851 -27.8217 -15.722 GPRESSAVG: 4395400 -34.5728 -64.9307 5.87459 -66.2668 33.3696 -29.5242 6.50962 -25.2253 -14.9013 TIMING: 4395400 CPU: 13899.6, 0.00314816/step Wall: 13899.6, 0.00314816/step, 0.528717 hours remaining, 237.136719 MB of memory in use. ENERGY: 4395400 4032.8931 20335.9616 14477.0984 245.0066 -203010.3716 2555.7040 0.0000 0.0000 51964.6794 -109399.0285 298.6417 -161363.7079 -109040.8976 298.3097 -158.2495 -126.3154 764027.7418 -5.2807 -5.3682 PRESSURE: 4395600 30.5918 98.6575 -16.3707 98.6573 -124.293 142.314 -16.3711 142.313 156.133 GPRESSURE: 4395600 71.6623 114.157 24.9036 64.7156 -79.8681 83.9668 -29.1828 42.5215 155.593 PRESSAVG: 4395600 36.3994 -23.9894 -0.183972 -23.9894 -8.64732 -29.4773 -0.184011 -29.4773 -0.77141 GPRESSAVG: 4395600 36.9859 -25.6026 -1.06748 -23.4733 -7.9791 -29.8851 2.23726 -29.1068 -1.85348 TIMING: 4395600 CPU: 13900.2, 0.00314723/step Wall: 13900.2, 0.00314723/step, 0.528384 hours remaining, 237.136719 MB of memory in use. ENERGY: 4395600 3931.6845 20557.5033 14474.3008 250.0291 -203203.6501 2774.0053 0.0000 0.0000 51781.9888 -109434.1383 297.5918 -161216.1271 -109083.1249 298.8772 20.8107 49.1289 761258.2969 8.9936 9.0511 PRESSURE: 4395800 -145.071 -6.39148 204.572 -6.39179 75.8317 -104.319 204.573 -104.32 271.954 GPRESSURE: 4395800 -60.2883 -10.5564 150.66 -10.38 116.47 -70.478 298.33 -119.647 226.139 PRESSAVG: 4395800 -19.8458 -17.8028 20.074 -17.8028 21.6904 -37.8068 20.0739 -37.8067 10.1756 GPRESSAVG: 4395800 -19.8345 -16.9605 19.3979 -19.6387 21.3857 -38.0278 18.2378 -37.3999 10.0619 TIMING: 4395800 CPU: 13900.9, 0.00314518/step Wall: 13900.9, 0.00314518/step, 0.527866 hours remaining, 237.136719 MB of memory in use. ENERGY: 4395800 4030.3903 20492.4704 14572.1224 259.3437 -203045.7197 2530.6272 0.0000 0.0000 51795.4362 -109365.3295 297.6691 -161160.7657 -109010.1967 298.9717 67.5718 94.1069 763688.3793 4.0067 3.8711 PRESSURE: 4396000 -160.076 -352.852 -44.8074 -352.852 -229.824 -127.76 -44.8072 -127.761 170.312 GPRESSURE: 4396000 -146.284 -303.225 16.438 -262.009 -119.885 -166.431 -39.9514 -166.387 139.486 PRESSAVG: 4396000 -65.1406 -7.56858 59.7562 -7.56861 35.7209 -16.6183 59.7562 -16.6183 -1.30199 GPRESSAVG: 4396000 -65.1299 -7.75539 59.7741 -5.67147 35.1785 -15.462 60.2892 -16.2838 -0.805596 TIMING: 4396000 CPU: 13901.5, 0.00314589/step Wall: 13901.5, 0.00314589/step, 0.527811 hours remaining, 237.136719 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: 4396000 3935.1923 20469.8017 14600.1621 255.4259 -202512.2667 2152.1976 0.0000 0.0000 51777.1429 -109322.3441 297.5640 -161099.4870 -108957.0180 299.0733 -73.1962 -42.2276 762878.3592 -10.2406 -10.2523 PRESSURE: 4396200 -140.724 -198.481 151.266 -198.482 -55.3106 -70.9885 151.265 -70.9875 253.209 GPRESSURE: 4396200 -130.05 -185.381 215.856 -111.403 11.7685 49.5562 147.539 -224.742 267.561 PRESSAVG: 4396200 15.9747 -0.197061 7.96001 -0.197016 -19.4286 -18.2568 7.96009 -18.2568 13.1264 GPRESSAVG: 4396200 16.018 -3.39243 10.1912 0.434118 -18.4855 -17.3843 6.91948 -21.5173 12.652 TIMING: 4396200 CPU: 13902.1, 0.00315393/step Wall: 13902.1, 0.00315393/step, 0.528985 hours remaining, 237.136719 MB of memory in use. ENERGY: 4396200 3976.0916 20259.0219 14514.3491 239.4716 -203056.5505 2477.4563 0.0000 0.0000 52326.1720 -109263.9879 300.7192 -161590.1599 -108897.9283 299.6405 19.0583 49.7599 761109.3076 3.2242 3.3948 LDB: ============= START OF LOAD BALANCING ============== 13914.7 LDB: ============== END OF LOAD BALANCING =============== 13914.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13914.7 LDB: ============= START OF LOAD BALANCING ============== 13915 LDB: Largest compute 7032 load 0.032458 is 16.6% of average load 0.195498 LDB: Average compute 0.004404 is 2.3% of average load 0.195498 LDB: TIME 13915 LOAD: AVG 0.195498 MAX 0.211465 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.75 MB LDB: TIME 13915 LOAD: AVG 0.195498 MAX 0.211465 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.75 MB LDB: TIME 13915 LOAD: AVG 0.195498 MAX 0.211465 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.75 MB LDB: ============== END OF LOAD BALANCING =============== 13915 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13915 Info: useSync: 0 useProxySync: 0 PRESSURE: 4396400 101.838 -60.5331 -142.696 -60.5331 280.905 184.681 -142.696 184.681 -81.5207 GPRESSURE: 4396400 85.4898 -127.316 -128.696 8.9755 309.801 244.332 -63.7201 112.355 9.0637 PRESSAVG: 4396400 -2.08059 -91.2319 45.8213 -91.2318 16.5458 17.0931 45.8214 17.093 16.8191 GPRESSAVG: 4396400 -2.17511 -87.6091 44.3309 -93.5029 16.4208 17.4729 48.2662 15.6301 17.7826 TIMING: 4396400 CPU: 13902.8, 0.00320825/step Wall: 13902.8, 0.00320825/step, 0.537916 hours remaining, 234.941406 MB of memory in use. ENERGY: 4396400 4002.5313 20496.6039 14512.4404 235.9641 -203590.6960 2979.1548 0.0000 0.0000 52106.8534 -109257.1481 299.4588 -161364.0014 -108901.1334 299.3645 100.4074 134.7847 762414.9525 10.4281 10.6761 PRESSURE: 4396600 -202.561 18.2591 -148.595 18.2596 -206.956 -44.6214 -148.595 -44.6228 -41.511 GPRESSURE: 4396600 -180.77 92.3533 -117.205 23.6015 -119.827 -56.5854 -23.4299 -106.876 -59.8874 PRESSAVG: 4396600 15.7571 -68.0027 -3.62179 -68.0027 10.2131 -12.637 -3.62182 -12.637 -6.40833 GPRESSAVG: 4396600 16.5914 -69.8558 -3.3433 -65.0832 9.1575 -14.708 -5.89204 -11.5348 -6.29535 TIMING: 4396600 CPU: 13903.4, 0.00312642/step Wall: 13903.4, 0.00312642/step, 0.524022 hours remaining, 234.941406 MB of memory in use. ENERGY: 4396600 4012.8638 20464.3100 14540.8068 274.2167 -203206.3522 2602.4412 0.0000 0.0000 52009.2463 -109302.4674 298.8979 -161311.7137 -108935.5009 299.4211 -150.3426 -120.1615 761634.6424 6.5206 6.4845 PRESSURE: 4396800 -33.9709 9.07979 -156.971 9.07966 -208.762 -135.45 -156.97 -135.45 -105.401 GPRESSURE: 4396800 -54.9289 -62.0673 -78.3526 82.3649 -176.205 -130.86 -52.5005 -108.741 -39.5424 PRESSAVG: 4396800 -6.41228 -14.3197 15.617 -14.3197 -17.132 -42.9662 15.6171 -42.9662 -4.27585 GPRESSAVG: 4396800 -6.86242 -14.0345 15.6902 -16.512 -15.601 -44.2704 16.6585 -41.4468 -5.61227 TIMING: 4396800 CPU: 13904, 0.00313655/step Wall: 13904, 0.00313655/step, 0.525546 hours remaining, 234.980469 MB of memory in use. ENERGY: 4396800 4082.0717 20422.9874 14562.4416 257.7626 -202978.8136 2699.2573 0.0000 0.0000 51869.4499 -109084.8430 298.0944 -160954.2930 -108720.5662 299.7938 -116.0447 -90.2254 763338.7527 -9.2734 -9.3586 PRESSURE: 4397000 -23.4749 247.554 4.58448 247.554 -48.233 -346.247 4.58404 -346.247 -3.42213 GPRESSURE: 4397000 -21.9351 93.0723 -58.9571 188.827 42.653 -272.691 -30.7347 -254.803 -7.78971 PRESSAVG: 4397000 36.3478 -8.35277 21.5012 -8.35275 -40.4226 -71.0783 21.5011 -71.0784 -22.3316 GPRESSAVG: 4397000 36.42 -9.32835 21.8866 -7.78599 -41.0839 -68.8919 20.9063 -69.9429 -21.8362 TIMING: 4397000 CPU: 13904.7, 0.00313251/step Wall: 13904.7, 0.00313251/step, 0.524696 hours remaining, 234.980469 MB of memory in use. ENERGY: 4397000 4049.3017 20520.8731 14462.0355 248.9382 -203281.4441 2650.2418 0.0000 0.0000 52589.1869 -108760.8668 302.2308 -161350.0538 -108406.1535 299.9512 -25.0433 4.3094 762836.1766 -8.8022 -8.8334 PRESSURE: 4397200 119.165 128.819 -32.3651 128.819 152.792 26.3054 -32.3657 26.3048 59.032 GPRESSURE: 4397200 109.006 -11.9801 -85.9285 104.961 209.457 32.6449 20.1137 84.558 93.4653 PRESSAVG: 4397200 14.6678 -35.0453 16.7593 -35.0453 24.5289 -7.32848 16.7593 -7.32853 -18.2569 GPRESSAVG: 4397200 15.714 -33.0576 16.6552 -36.1541 23.4567 -8.05691 16.4695 -8.3689 -18.813 TIMING: 4397200 CPU: 13905.3, 0.003125/step Wall: 13905.3, 0.003125/step, 0.523264 hours remaining, 234.980469 MB of memory in use. ENERGY: 4397200 3975.2309 20500.7841 14521.5292 243.9717 -204050.2110 3129.6238 0.0000 0.0000 52598.8386 -109080.2327 302.2862 -161679.0713 -108703.4009 300.2971 110.3296 137.3093 761003.2199 6.9800 6.7859 PRESSURE: 4397400 -278.23 34.2584 -116.661 34.2579 -33.2287 53.4575 -116.661 53.4569 -154.176 GPRESSURE: 4397400 -202.721 -20.3254 -53.8161 -54.4401 6.69444 117.779 -157.927 1.64747 -196.956 PRESSAVG: 4397400 -63.2635 6.57241 10.8822 6.57242 68.6946 -1.12009 10.8822 -1.12026 8.62374 GPRESSAVG: 4397400 -64.0148 6.17976 11.6076 7.78904 68.4723 -0.700881 10.1576 -0.723266 9.22478 TIMING: 4397400 CPU: 13905.9, 0.00313508/step Wall: 13905.9, 0.00313508/step, 0.524777 hours remaining, 235.183594 MB of memory in use. ENERGY: 4397400 3978.9925 20588.0633 14527.5722 238.9083 -202876.3098 2295.4600 0.0000 0.0000 52073.0304 -109174.2830 299.2644 -161247.3134 -108806.9561 300.0561 -155.2116 -130.9942 761295.7091 4.6849 4.5608 PRESSURE: 4397600 -248.513 69.2755 -289.399 69.2763 414.242 -295.63 -289.399 -295.63 16.3404 GPRESSURE: 4397600 -150.742 5.27009 -261.33 106.33 391.593 -289.712 -198.726 -322.267 16.4313 PRESSAVG: 4397600 -28.0978 -16.0787 -25.4027 -16.0787 -5.64604 -6.42986 -25.4027 -6.42985 16.7478 GPRESSAVG: 4397600 -28.2956 -16.4189 -27.1148 -16.5066 -5.53196 -8.70599 -25.141 -5.83933 16.2019 TIMING: 4397600 CPU: 13906.5, 0.00313982/step Wall: 13906.5, 0.00313982/step, 0.525396 hours remaining, 235.183594 MB of memory in use. ENERGY: 4397600 4009.0092 20618.5984 14489.4874 255.9841 -203487.1729 2823.6869 0.0000 0.0000 52076.7666 -109213.6404 299.2859 -161290.4069 -108859.1183 299.7848 60.6898 85.7606 763267.5480 -5.6653 -5.8752 PRESSURE: 4397800 70.692 -1.16163 21.2341 -1.1618 203.513 -69.4657 21.2337 -69.4658 18.6165 GPRESSURE: 4397800 64.8117 -53.5996 73.5264 11.8573 298.315 -139.816 50.8501 -11.815 12.9635 PRESSAVG: 4397800 -13.5764 0.95823 50.5427 0.958208 38.133 13.0109 50.5427 13.0107 -17.6099 GPRESSAVG: 4397800 -13.6364 1.31067 51.6869 0.13935 38.8799 13.7018 50.7766 10.9919 -18.5306 TIMING: 4397800 CPU: 13907.2, 0.00313496/step Wall: 13907.2, 0.00313496/step, 0.52441 hours remaining, 235.183594 MB of memory in use. ENERGY: 4397800 3991.6843 20427.7215 14533.2182 250.2083 -203802.4879 3045.0555 0.0000 0.0000 52174.6293 -109379.9709 299.8483 -161554.6002 -109002.9047 299.8416 97.6072 125.3634 762881.8459 2.3156 2.2377 PRESSURE: 4398000 253.596 -106.275 70.8115 -106.275 -126.582 174.254 70.8116 174.255 -77.0852 GPRESSURE: 4398000 218.083 -111.344 159.828 -92.2647 -112.505 189.211 106.527 289.128 40.0876 PRESSAVG: 4398000 -3.3793 -22.7369 -46.3516 -22.7369 -20.7232 12.647 -46.3517 12.647 6.5537 GPRESSAVG: 4398000 -2.25034 -22.0387 -46.0226 -21.429 -21.9175 13.4276 -45.6534 13.0287 7.64762 TIMING: 4398000 CPU: 13907.8, 0.00313345/step Wall: 13907.8, 0.00313345/step, 0.523983 hours remaining, 235.183594 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: 4398000 3933.8779 20743.8626 14536.4211 241.5379 -203383.7083 2630.2254 0.0000 0.0000 52012.7310 -109285.0524 298.9179 -161297.7834 -108932.9262 299.0262 16.6431 48.5551 763888.7088 -5.8496 -5.5068 PRESSURE: 4398200 32.8897 -105.901 54.9904 -105.902 280.161 -222.102 54.9911 -222.103 212.524 GPRESSURE: 4398200 44.9033 -203.288 38.6008 -72.1236 336.807 -186.516 47.8549 -219.965 220.944 PRESSAVG: 4398200 -46.9406 -48.9538 1.94296 -48.9538 23.9654 -7.80508 1.94294 -7.80512 13.0228 GPRESSAVG: 4398200 -48.133 -50.6387 2.19895 -49.699 25.4579 -7.81372 1.18131 -8.32328 12.8809 TIMING: 4398200 CPU: 13908.4, 0.00314038/step Wall: 13908.4, 0.00314038/step, 0.524966 hours remaining, 235.183594 MB of memory in use. ENERGY: 4398200 3958.8502 20666.0739 14484.5023 256.1991 -203297.0658 2564.1878 0.0000 0.0000 52004.4366 -109362.8159 298.8702 -161367.2526 -109005.9450 298.9929 175.1914 200.8849 763626.4239 -3.3175 -3.2647 PRESSURE: 4398400 189.093 -129.729 -6.11275 -129.729 392.97 168.959 -6.11304 168.959 40.5828 GPRESSURE: 4398400 166.569 -43.9396 101.765 -109.312 428.91 120.078 -86.5025 93.0734 103.75 PRESSAVG: 4398400 -17.3349 -9.79328 -24.5713 -9.79331 -5.4006 11.0821 -24.5713 11.082 3.78967 GPRESSAVG: 4398400 -17.5547 -8.37917 -24.6048 -10.6929 -6.64115 12.3464 -23.0171 10.4513 5.48069 TIMING: 4398400 CPU: 13909, 0.00313411/step Wall: 13909, 0.00313411/step, 0.523744 hours remaining, 235.183594 MB of memory in use. ENERGY: 4398400 4109.5108 20509.7831 14464.5986 254.3342 -203656.6326 2851.2097 0.0000 0.0000 52137.9547 -109329.2415 299.6375 -161467.1962 -108967.9143 299.4369 207.5486 233.0763 760516.9004 -6.3153 -6.2384 PRESSURE: 4398600 156.195 20.6415 -166.094 20.6416 38.8726 99.1705 -166.094 99.1706 269.853 GPRESSURE: 4398600 230.76 73.3598 -61.9122 -45.3163 94.6298 65.7276 33.8434 221.548 224.492 PRESSAVG: 4398600 24.1327 -89.1327 1.84023 -89.1328 -11.6561 -24.2573 1.84023 -24.2573 -3.44517 GPRESSAVG: 4398600 25.5735 -88.755 0.816594 -89.1922 -12.3784 -25.0477 2.59326 -21.9695 -4.77004 TIMING: 4398600 CPU: 13909.7, 0.00314755/step Wall: 13909.7, 0.00314755/step, 0.525815 hours remaining, 235.183594 MB of memory in use. ENERGY: 4398600 4026.0002 20437.5401 14572.7505 235.8792 -203771.3448 2936.4623 0.0000 0.0000 52178.5839 -109384.1286 299.8710 -161562.7125 -109021.1680 299.3498 154.9735 183.2942 760578.4566 3.0105 2.8084 PRESSURE: 4398800 303.396 89.5246 16.8636 89.5236 -189.776 184.256 16.8624 184.256 380.207 GPRESSURE: 4398800 224.389 116.399 -34.336 -20.8722 -9.11291 162.201 -82.9373 161.125 370.075 PRESSAVG: 4398800 59.1794 -20.9679 -11.7842 -20.9678 -29.238 0.860064 -11.7843 0.860052 13.3446 GPRESSAVG: 4398800 57.2961 -22.0728 -12.1568 -21.5269 -27.4378 -0.644349 -11.9204 1.5471 12.8457 TIMING: 4398800 CPU: 13910.3, 0.00312087/step Wall: 13910.3, 0.00312087/step, 0.521185 hours remaining, 235.183594 MB of memory in use. ENERGY: 4398800 4037.6527 20511.1625 14481.0359 228.7278 -203440.2019 2529.5236 0.0000 0.0000 52053.3457 -109598.7537 299.1513 -161652.0994 -109230.3290 299.2170 164.6089 195.1172 760292.1284 14.4287 14.2347 PRESSURE: 4399000 -108.04 -206.564 88.1714 -206.564 -594.785 -64.9324 88.172 -64.933 -564.851 GPRESSURE: 4399000 -94.8962 -203.198 91.7767 -136.317 -538.301 -77.1045 10.05 -6.46414 -560.007 PRESSAVG: 4399000 -36.6048 25.6438 -28.3068 25.6438 -11.6988 -39.0743 -28.3068 -39.0743 11.4998 GPRESSAVG: 4399000 -35.6142 25.2132 -26.4492 28.0166 -13.4799 -38.7148 -32.9259 -38.4167 11.927 TIMING: 4399000 CPU: 13910.9, 0.00312237/step Wall: 13910.9, 0.00312237/step, 0.521262 hours remaining, 235.183594 MB of memory in use. ENERGY: 4399000 4097.2432 20357.7223 14607.5683 258.4525 -203297.0849 2376.2638 0.0000 0.0000 52034.5301 -109565.3046 299.0432 -161599.8347 -109204.7146 298.8895 -422.5586 -397.7348 762191.9857 -12.2679 -12.3890 PRESSURE: 4399200 -64.3129 31.942 -243.849 31.9427 -24.5329 -99.3062 -243.85 -99.3074 14.2402 GPRESSURE: 4399200 -42.8395 104.964 -196.501 36.5934 102.219 -79.1684 -156.31 -199.751 -53.9443 PRESSAVG: 4399200 39.7709 13.4841 -20.2469 13.4842 -18.811 -11.4404 -20.2469 -11.4405 21.3887 GPRESSAVG: 4399200 39.4138 15.4206 -20.7639 11.6852 -17.7099 -10.9606 -17.6842 -13.8289 20.6841 TIMING: 4399200 CPU: 13911.6, 0.00313286/step Wall: 13911.6, 0.00313286/step, 0.522839 hours remaining, 235.183594 MB of memory in use. ENERGY: 4399200 3998.0857 20484.6833 14551.4558 244.6471 -203297.6166 2376.1155 0.0000 0.0000 51762.6524 -109879.9768 297.4807 -161642.6292 -109513.1098 298.5084 -24.8685 1.8116 760820.2788 14.1162 14.1293 PRESSURE: 4399400 93.9778 12.2642 -144.092 12.2632 590.921 119.174 -144.093 119.173 -189.283 GPRESSURE: 4399400 87.8439 67.2892 -139.871 62.9878 600.576 116.262 -197.749 235.004 -127.099 PRESSAVG: 4399400 -3.46197 6.8722 14.5073 6.87218 -8.8931 -12.7544 14.5072 -12.7543 4.22604 GPRESSAVG: 4399400 -3.84469 6.2105 13.7892 7.30054 -8.72377 -13.8372 14.2795 -11.1717 4.57392 TIMING: 4399400 CPU: 13912.2, 0.00314417/step Wall: 13912.2, 0.00314417/step, 0.524553 hours remaining, 235.183594 MB of memory in use. ENERGY: 4399400 3937.1106 20691.3615 14459.0952 247.7115 -203833.0204 2794.1217 0.0000 0.0000 51867.2740 -109836.3460 298.0819 -161703.6199 -109478.3970 298.0071 165.2054 187.1071 760577.7988 -2.7097 -2.6648 PRESSURE: 4399600 -420.704 115.888 0.221548 115.888 24.3021 64.9796 0.222055 64.9793 54.3691 GPRESSURE: 4399600 -383.795 -21.0388 25.9677 66.5407 52.8966 40.8232 70.7115 -0.370981 81.9548 PRESSAVG: 4399600 -29.3613 -0.236495 -10.8914 -0.236497 29.2125 -18.3168 -10.8914 -18.3167 -6.71529 GPRESSAVG: 4399600 -28.2483 -1.48461 -10.0796 0.14266 28.2722 -17.587 -11.4572 -19.8591 -6.89998 TIMING: 4399600 CPU: 13912.8, 0.00314366/step Wall: 13912.8, 0.00314366/step, 0.524292 hours remaining, 235.183594 MB of memory in use. ENERGY: 4399600 4028.6049 20447.8441 14519.8218 256.0012 -203570.9609 2563.3009 0.0000 0.0000 51967.9347 -109787.4533 298.6604 -161755.3880 -109428.1483 298.8739 -114.0108 -82.9811 759998.9234 -2.2880 -2.2920 PRESSURE: 4399800 -224.037 -97.1322 -103.628 -97.1318 -216.486 86.9632 -103.628 86.9639 -253.187 GPRESSURE: 4399800 -189.902 -2.16579 -130.864 -102.944 -151.409 167.428 -54.8227 136.353 -237.501 PRESSAVG: 4399800 -82.2998 0.278895 -16.8363 0.278911 65.7347 43.0698 -16.8363 43.0698 4.20142 GPRESSAVG: 4399800 -83.1129 2.90476 -16.4345 0.112028 65.9081 44.1497 -15.8846 41.9879 5.39888 TIMING: 4399800 CPU: 13913.4, 0.0031238/step Wall: 13913.4, 0.0031238/step, 0.520807 hours remaining, 235.183594 MB of memory in use. ENERGY: 4399800 4012.0713 20298.7537 14545.8257 251.4177 -203332.6603 2513.9826 0.0000 0.0000 52042.8670 -109667.7422 299.0911 -161710.6092 -109311.1773 298.4112 -231.2363 -192.9375 761198.8523 -4.1212 -3.9353 PRESSURE: 4400000 -167.713 207.014 -247.442 207.014 -320.419 119.222 -247.442 119.221 -110.01 GPRESSURE: 4400000 -194.586 246.329 -226.23 234.1 -271.048 115.626 -208.98 79.974 -58.3642 PRESSAVG: 4400000 -71.407 6.99635 -99.3104 6.99632 72.7266 34.6231 -99.3104 34.6231 -1.31089 GPRESSAVG: 4400000 -70.1753 4.90339 -100.911 7.1544 71.8709 33.3846 -100.502 34.3069 -1.16173 TIMING: 4400000 CPU: 13914.1, 0.00313548/step Wall: 13914.1, 0.00313548/step, 0.522581 hours remaining, 235.183594 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: 4400000 3936.2444 20312.8981 14516.2309 248.7263 -203004.8292 2224.0192 0.0000 0.0000 52096.1128 -109670.5976 299.3971 -161766.7104 -109311.2077 298.2623 -199.3808 -174.6663 761631.1037 0.0029 0.1780 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.1.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 178.836 14.5189 -179.896 14.5184 -27.8837 11.3936 -179.896 11.3937 224.605 GPRESSURE: 4400200 185.161 57.2034 -104.507 -7.45461 84.3884 100.265 -54.293 110.287 206.996 PRESSAVG: 4400200 -81.326 11.0924 -85.2534 11.0924 26.6612 3.5706 -85.2534 3.57055 2.09339 GPRESSAVG: 4400200 -81.827 11.0183 -85.2239 11.3338 27.4592 3.93622 -85.2888 5.61131 1.78217 TIMING: 4400200 CPU: 13914.7, 0.00325071/step Wall: 13914.7, 0.00325071/step, 0.541604 hours remaining, 235.183594 MB of memory in use. ENERGY: 4400200 3968.7619 20297.0127 14561.5984 274.0868 -203342.8156 2638.4062 0.0000 0.0000 52027.3911 -109575.5586 299.0021 -161602.9497 -109204.5556 298.1914 125.1857 158.8485 762685.9664 -17.5238 -17.5285 LDB: ============= START OF LOAD BALANCING ============== 13927.2 LDB: ============== END OF LOAD BALANCING =============== 13927.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13927.2 LDB: ============= START OF LOAD BALANCING ============== 13927.6 LDB: Largest compute 7078 load 0.032284 is 16.5% of average load 0.195573 LDB: Average compute 0.004401 is 2.3% of average load 0.195573 LDB: TIME 13927.6 LOAD: AVG 0.195573 MAX 0.212544 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.625 MB LDB: TIME 13927.6 LOAD: AVG 0.195573 MAX 0.212544 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.695 MB LDB: TIME 13927.6 LOAD: AVG 0.195573 MAX 0.212544 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.695 MB LDB: ============== END OF LOAD BALANCING =============== 13927.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13927.6 PRESSURE: 4400400 196.869 289.287 75.7044 289.286 176.284 -124.226 75.7045 -124.226 277.026 GPRESSURE: 4400400 191.674 213.542 46.2319 156.481 247.047 -129.016 20.6592 -15.9851 293.177 PRESSAVG: 4400400 -67.6611 34.5014 3.74801 34.5014 35.1014 36.5288 3.74797 36.5287 1.05908 GPRESSAVG: 4400400 -68.5709 36.4503 4.46627 33.8393 35.9711 35.4636 6.205 36.8673 0.997541 TIMING: 4400400 CPU: 13915.4, 0.00321007/step Wall: 13915.4, 0.00321007/step, 0.534655 hours remaining, 235.394531 MB of memory in use. ENERGY: 4400400 3968.9628 20214.4605 14528.2009 237.0791 -203583.5868 2767.4249 0.0000 0.0000 52277.2342 -109590.2245 300.4380 -161867.4587 -109222.7326 298.4384 216.7263 243.9661 760317.1778 -10.5002 -10.5341 PRESSURE: 4400600 -75.5094 -154.923 20.0606 -154.923 217.603 346.587 20.0612 346.587 231.675 GPRESSURE: 4400600 13.264 -44.6461 38.5341 -137.552 266.384 307.039 41.8891 302.541 170.079 PRESSAVG: 4400600 -77.9323 26.5064 -27.6264 26.5064 110.705 -10.067 -27.6264 -10.067 19.822 GPRESSAVG: 4400600 -76.026 24.814 -27.9961 27.218 109.374 -9.8097 -28.2446 -12.8703 18.8867 TIMING: 4400600 CPU: 13916, 0.00315251/step Wall: 13916, 0.00315251/step, 0.524892 hours remaining, 235.636719 MB of memory in use. ENERGY: 4400600 4007.9432 20486.6666 14469.3971 263.0753 -203588.3718 3015.9509 0.0000 0.0000 51671.1047 -109674.2340 296.9545 -161345.3387 -109321.8711 298.5245 124.5894 149.9090 761370.2772 17.5316 17.4114 PRESSURE: 4400800 162.697 236.461 -87.2775 236.46 -51.0142 -67.9044 -87.2775 -67.9043 -76.4684 GPRESSURE: 4400800 97.6712 221.5 -96.5571 278.728 14.7522 -53.5191 -47.1917 65.533 8.64083 PRESSAVG: 4400800 -70.4773 2.67248 21.9605 2.67253 72.2205 10.1401 21.9605 10.1401 15.3003 GPRESSAVG: 4400800 -71.4302 1.49747 22.3353 3.29962 72.3751 10.3606 20.7238 11.5749 15.5456 TIMING: 4400800 CPU: 13916.6, 0.00312093/step Wall: 13916.6, 0.00312093/step, 0.519462 hours remaining, 235.839844 MB of memory in use. ENERGY: 4400800 3994.7972 20313.9328 14469.8568 246.4487 -203812.4904 3023.5423 0.0000 0.0000 52262.5400 -109501.3725 300.3535 -161763.9125 -109142.7279 298.3799 11.7381 40.3547 762068.1933 5.6812 5.4969 PRESSURE: 4401000 -447.196 -203.523 -79.0504 -203.523 -205.938 -19.1186 -79.0497 -19.1194 -95.3241 GPRESSURE: 4401000 -376.849 -232.545 -96.4763 -257.151 -175.341 -103.035 50.074 -134.43 -107.69 PRESSAVG: 4401000 -17.1313 24.2953 -67.3093 24.2953 -7.53099 -5.05451 -67.3092 -5.05446 7.99506 GPRESSAVG: 4401000 -17.0204 23.4704 -66.3976 24.6496 -8.44264 -6.06167 -66.914 -5.63405 8.58941 TIMING: 4401000 CPU: 13917.2, 0.00313661/step Wall: 13917.2, 0.00313661/step, 0.521898 hours remaining, 235.839844 MB of memory in use. ENERGY: 4401000 3884.2537 20355.3583 14501.4256 240.0757 -202813.2667 2474.7993 0.0000 0.0000 51892.1624 -109465.1917 298.2250 -161357.3541 -109109.1396 298.7597 -249.4860 -219.9600 764327.0370 -5.5557 -5.6245 PRESSURE: 4401200 -287.543 -31.4361 157.005 -31.4351 254.201 5.02941 157.006 5.0293 152.345 GPRESSURE: 4401200 -274.928 -83.5125 158.124 -59.3834 305.01 -8.47607 93.7668 -81.1052 171.449 PRESSAVG: 4401200 -54.1058 -32.8522 -27.2762 -32.8522 16.3232 -78.682 -27.2762 -78.6819 9.47979 GPRESSAVG: 4401200 -54.1904 -31.3762 -27.0506 -33.0124 16.1434 -77.6958 -27.1271 -77.652 9.20299 TIMING: 4401200 CPU: 13917.9, 0.00312657/step Wall: 13917.9, 0.00312657/step, 0.520052 hours remaining, 235.839844 MB of memory in use. ENERGY: 4401200 3991.1909 20412.6474 14434.6370 255.1945 -203516.1441 3187.3291 0.0000 0.0000 52004.5014 -109230.6438 298.8706 -161235.1452 -108873.7488 298.4918 39.6679 67.1769 762353.6178 -9.4343 -9.6147 PRESSURE: 4401400 114.686 80.7274 84.4595 80.7272 -129.151 7.40094 84.4592 7.40123 251.336 GPRESSURE: 4401400 52.3408 11.7371 88.06 103.066 -45.544 -11.9515 46.1489 -18.7514 329.677 PRESSAVG: 4401400 -16.294 -44.2093 5.40716 -44.2093 23.2864 2.64725 5.40716 2.64725 -13.6178 GPRESSAVG: 4401400 -17.2775 -44.3946 4.0857 -43.6114 23.4884 0.205132 7.78471 3.20926 -12.385 TIMING: 4401400 CPU: 13918.5, 0.00312535/step Wall: 13918.5, 0.00312535/step, 0.519676 hours remaining, 235.839844 MB of memory in use. ENERGY: 4401400 3951.6419 20441.0891 14478.9344 238.7778 -203311.5711 2736.2784 0.0000 0.0000 52014.5386 -109450.3108 298.9283 -161464.8495 -109087.8117 298.8549 78.9569 112.1580 762268.9096 -2.2085 -2.0580 PRESSURE: 4401600 78.5629 -38.1351 78.6527 -38.1358 -154.104 -352.997 78.6528 -352.996 -94.7073 GPRESSURE: 4401600 173.312 -67.6987 51.3271 -43.0536 -93.6097 -384.755 165.598 -273.421 -164.045 PRESSAVG: 4401600 -26.801 -37.5802 -24.6812 -37.5802 20.9762 -69.6285 -24.6811 -69.6285 -14.1383 GPRESSAVG: 4401600 -25.3234 -36.9613 -23.3449 -39.194 20.1163 -69.217 -27.2426 -69.665 -15.132 TIMING: 4401600 CPU: 13919.1, 0.00315083/step Wall: 13919.1, 0.00315083/step, 0.523738 hours remaining, 235.839844 MB of memory in use. ENERGY: 4401600 3977.2386 20504.9917 14541.2372 229.7023 -203301.5539 2704.8671 0.0000 0.0000 52206.3839 -109137.1330 300.0308 -161343.5170 -108785.6244 299.2970 -56.7494 -28.1142 760781.5741 -6.6544 -6.7797 PRESSURE: 4401800 -4.36465 -95.0999 40.316 -95.0997 -66.5999 -160.911 40.3156 -160.912 12.0786 GPRESSURE: 4401800 -12.299 -42.549 21.1859 -22.9733 40.4355 -251.56 158.707 -139.175 -1.67326 PRESSAVG: 4401800 -13.5042 -36.7202 -25.5364 -36.7202 50.4011 -32.416 -25.5364 -32.416 -0.0276836 GPRESSAVG: 4401800 -13.9374 -36.9103 -26.561 -36.3545 51.4878 -30.6167 -24.1479 -32.6397 -0.52871 TIMING: 4401800 CPU: 13919.7, 0.00313963/step Wall: 13919.7, 0.00313963/step, 0.521702 hours remaining, 235.839844 MB of memory in use. ENERGY: 4401800 3996.1083 20531.1152 14484.8155 235.2183 -203471.1520 2772.2276 0.0000 0.0000 52280.5210 -109171.1460 300.4569 -161451.6670 -108807.6059 299.6144 -19.6286 8.8211 761630.8696 12.2897 12.3405 PRESSURE: 4402000 -262.807 -45.3844 11.4971 -45.3847 48.8025 -30.9619 11.4968 -30.9606 149.491 GPRESSURE: 4402000 -234.129 24.8944 -30.1422 -170.809 125.581 -54.3343 -14.9322 82.6932 117.071 PRESSAVG: 4402000 -55.9315 -19.7864 -8.53911 -19.7863 70.6851 16.8991 -8.53911 16.8991 -22.4614 GPRESSAVG: 4402000 -56.9438 -18.8186 -9.24013 -20.7936 70.5825 17.2402 -9.41707 16.1382 -21.4775 TIMING: 4402000 CPU: 13920.4, 0.00314249/step Wall: 13920.4, 0.00314249/step, 0.522002 hours remaining, 235.839844 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: 4402000 4041.1319 20566.1772 14502.7044 240.2432 -203465.5433 2592.3321 0.0000 0.0000 52395.4121 -109127.5423 301.1172 -161522.9544 -108765.4852 299.5834 -21.5045 2.8410 760019.6376 -2.5693 -2.6129 PRESSURE: 4402200 -539.136 -124.943 -101.881 -124.944 59.9823 86.9892 -101.881 86.9891 578.751 GPRESSURE: 4402200 -379.829 -151.863 -92.2678 -46.2223 -22.4467 39.7195 9.71965 -74.8113 581.973 PRESSAVG: 4402200 -119.696 -33.2524 -44.9313 -33.2524 94.6225 4.89007 -44.9313 4.89016 -13.6538 GPRESSAVG: 4402200 -118.431 -35.4347 -43.6388 -32.4154 92.8016 4.31744 -45.0737 3.37949 -13.6646 TIMING: 4402200 CPU: 13921, 0.00314993/step Wall: 13921, 0.00314993/step, 0.523064 hours remaining, 235.839844 MB of memory in use. ENERGY: 4402200 4056.1895 20458.3707 14514.4583 271.4256 -202911.9155 2376.0659 0.0000 0.0000 52040.7799 -109194.6258 299.0791 -161235.4057 -108831.4357 299.5705 33.1991 59.8992 762579.6524 -12.9092 -13.0982 PRESSURE: 4402400 -39.896 -0.278775 -74.4379 -0.279236 40.6023 -188.675 -74.4383 -188.674 -70.4567 GPRESSURE: 4402400 -80.4415 1.85001 -13.5389 10.7802 154.426 -219.042 -29.705 -265.176 -67.7981 PRESSAVG: 4402400 -69.4187 -62.6353 -51.1359 -62.6354 50.4629 -23.667 -51.1359 -23.667 10.0123 GPRESSAVG: 4402400 -70.5294 -61.2434 -52.764 -64.0174 51.4668 -23.3378 -48.8674 -21.7178 9.42117 TIMING: 4402400 CPU: 13921.6, 0.00313607/step Wall: 13921.6, 0.00313607/step, 0.520587 hours remaining, 235.839844 MB of memory in use. ENERGY: 4402400 3993.0931 20530.5642 14549.9422 254.2679 -202793.4999 2537.9202 0.0000 0.0000 51793.9537 -109133.7586 297.6606 -160927.7123 -108772.9505 299.0375 -23.2501 2.0621 762783.9292 -2.9811 -3.2138 PRESSURE: 4402600 191.05 275.222 -50.3708 275.222 -231.276 -34.6626 -50.3703 -34.6623 93.7493 GPRESSURE: 4402600 88.0912 213.261 -130.932 337.18 -60.4775 -56.0042 -77.9157 -94.8291 110.422 PRESSAVG: 4402600 -60.0618 -0.697998 -8.16705 -0.697994 28.8973 -30.7401 -8.16707 -30.7401 -21.4537 GPRESSAVG: 4402600 -61.1064 -0.00179167 -7.56556 0.204795 30.5401 -30.2008 -9.864 -32.17 -22.6441 TIMING: 4402600 CPU: 13922.3, 0.00313729/step Wall: 13922.3, 0.00313729/step, 0.520616 hours remaining, 235.839844 MB of memory in use. ENERGY: 4402600 3986.0371 20461.3313 14545.8137 250.4958 -203335.3773 2623.3215 0.0000 0.0000 52248.3153 -109220.0626 300.2718 -161468.3778 -108848.8117 299.3041 17.8411 46.0121 761637.2917 -17.5394 -17.7368 PRESSURE: 4402800 -230.324 -78.5522 79.2995 -78.5521 239.728 108.406 79.2991 108.405 27.6523 GPRESSURE: 4402800 -206.745 -51.8496 -19.7221 -6.40325 291.72 139.899 184.186 46.9099 43.8282 PRESSAVG: 4402800 8.02734 1.16668 -16.7675 1.16676 13.3817 -2.33251 -16.7675 -2.33249 -13.6608 GPRESSAVG: 4402800 8.79663 -0.430542 -18.3844 0.845601 12.4465 -3.76599 -15.8444 -0.643236 -12.552 TIMING: 4402800 CPU: 13922.9, 0.00314333/step Wall: 13922.9, 0.00314333/step, 0.521444 hours remaining, 235.839844 MB of memory in use. ENERGY: 4402800 3902.7818 20647.6965 14499.0084 255.4049 -203641.8887 2756.4390 0.0000 0.0000 52421.9208 -109158.6374 301.2695 -161580.5582 -108798.4917 299.6533 12.3521 42.9344 760763.0365 2.5827 2.8970 PRESSURE: 4403000 -65.6389 141.278 113.103 141.278 107.498 234.518 113.103 234.518 130.119 GPRESSURE: 4403000 13.6911 225.051 93.8572 188.713 130.524 226.758 98.8017 173.439 109.086 PRESSAVG: 4403000 -12.5312 5.31528 -23.2924 5.31537 -9.73544 40.114 -23.2925 40.1141 -8.4371 GPRESSAVG: 4403000 -12.2344 5.10358 -21.5047 5.66166 -9.3664 39.3522 -22.6549 39.5031 -9.09609 TIMING: 4403000 CPU: 13923.5, 0.00313937/step Wall: 13923.5, 0.00313937/step, 0.520612 hours remaining, 235.839844 MB of memory in use. ENERGY: 4403000 3892.5539 20550.7774 14513.7969 253.0264 -203550.8472 2716.8849 0.0000 0.0000 52076.4991 -109547.3086 299.2844 -161623.8077 -109181.0468 299.5063 57.3259 84.4337 761520.1437 -10.2346 -10.2323 PRESSURE: 4403200 -6.85553 156.791 83.6071 156.791 -115.741 243.442 83.6076 243.444 -80.7014 GPRESSURE: 4403200 29.5013 134.012 -36.1944 134.085 -31.0824 258.225 147.431 270.358 -137.382 PRESSAVG: 4403200 -46.5926 -51.0139 29.0274 -51.0138 45.6855 -20.8634 29.0273 -20.8635 -3.56227 GPRESSAVG: 4403200 -45.656 -52.1244 27.7383 -50.6224 44.306 -18.0796 28.9755 -22.5675 -3.23132 TIMING: 4403200 CPU: 13924.1, 0.00312974/step Wall: 13924.1, 0.00312974/step, 0.518841 hours remaining, 235.839844 MB of memory in use. ENERGY: 4403200 3997.0964 20590.9840 14445.0449 242.5551 -203372.8990 2604.0000 0.0000 0.0000 52148.7487 -109344.4699 299.6996 -161493.2186 -108984.5686 299.2424 -67.7660 -46.3209 760670.0213 -1.4898 -1.5271 PRESSURE: 4403400 38.2347 -40.9845 125.402 -40.9848 168.663 12.5954 125.401 12.595 13.4855 GPRESSURE: 4403400 81.702 141.3 96.7112 -74.6347 225.595 6.62328 61.2431 189.365 1.79895 PRESSAVG: 4403400 -29.6416 22.2045 -2.2892 22.2044 2.40966 -44.2284 -2.28922 -44.2284 7.23371 GPRESSAVG: 4403400 -31.274 24.9473 -0.692425 21.2496 3.44218 -45.1162 -4.18684 -42.0276 7.64275 TIMING: 4403400 CPU: 13924.8, 0.00313062/step Wall: 13924.8, 0.00313062/step, 0.518813 hours remaining, 235.839844 MB of memory in use. ENERGY: 4403400 3989.2770 20526.1451 14446.9670 243.0709 -203437.7395 2671.8526 0.0000 0.0000 51980.3884 -109580.0386 298.7320 -161560.4270 -109213.0214 299.6279 73.4611 103.0321 760469.5709 -6.6661 -6.7297 PRESSURE: 4403600 -110.814 -169.729 -109.045 -169.729 -351.983 -285.989 -109.044 -285.989 189.684 GPRESSURE: 4403600 -20.9977 -181.26 -71.9285 -187.401 -314.681 -235.648 -230.397 -193.124 143.599 PRESSAVG: 4403600 -62.4085 -32.2124 -60.7275 -32.2123 98.5289 5.53091 -60.7274 5.53091 -32.9318 GPRESSAVG: 4403600 -61.8529 -32.4613 -61.4301 -30.9657 97.3972 5.24468 -60.2384 4.74726 -32.0966 TIMING: 4403600 CPU: 13925.4, 0.00314113/step Wall: 13925.4, 0.00314113/step, 0.520381 hours remaining, 235.839844 MB of memory in use. ENERGY: 4403600 4072.4831 20573.8508 14571.5814 237.0201 -203554.5472 2521.3527 0.0000 0.0000 51974.5856 -109603.6735 298.6987 -161578.2591 -109239.1319 298.9161 -91.0378 -64.0267 759654.7617 1.0628 1.1493 PRESSURE: 4403800 224.121 61.4334 -35.6316 61.433 141.092 74.743 -35.6313 74.7425 240.769 GPRESSURE: 4403800 191.281 40.698 -27.33 42.3308 233.267 65.2975 16.9711 -44.0308 250.485 PRESSAVG: 4403800 17.0571 6.01383 -27.6898 6.0139 -19.0004 56.3614 -27.6898 56.3614 -27.5446 GPRESSAVG: 4403800 18.0781 5.93509 -27.5087 6.30998 -19.6838 55.0416 -27.1221 57.3698 -28.3868 TIMING: 4403800 CPU: 13926, 0.00313276/step Wall: 13926, 0.00313276/step, 0.518819 hours remaining, 235.839844 MB of memory in use. ENERGY: 4403800 3987.9602 20727.7429 14481.2753 229.8476 -203429.6326 2586.0467 0.0000 0.0000 51944.1691 -109472.5908 298.5239 -161416.7598 -109105.6171 298.6565 201.9939 225.0109 759265.8735 -9.8293 -9.9975 PRESSURE: 4404000 -121.579 -288.335 12.7047 -288.335 89.5269 141.139 12.7054 141.14 11.4778 GPRESSURE: 4404000 -149.636 -358.704 59.5937 -331.877 173.561 251.67 76.139 -13.7221 58.3 PRESSAVG: 4404000 22.6141 -72.1428 1.6736 -72.1427 -7.13676 29.3105 1.67366 29.3104 -13.0868 GPRESSAVG: 4404000 21.8162 -71.4553 1.79891 -73.6188 -6.53009 31.3212 1.57801 28.8305 -12.4881 TIMING: 4404000 CPU: 13926.6, 0.00312665/step Wall: 13926.6, 0.00312665/step, 0.517635 hours remaining, 235.839844 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: 4404000 4075.1572 20620.6760 14532.8248 227.2374 -203465.0244 2356.5588 0.0000 0.0000 51999.6733 -109652.8969 298.8428 -161652.5702 -109284.6305 299.1469 -6.8581 27.4084 758844.8721 0.7969 0.9327 PRESSURE: 4404200 -24.3662 -270.182 200.765 -270.182 33.2398 78.5423 200.765 78.5421 327.925 GPRESSURE: 4404200 -18.0101 -195.027 214.103 -150.027 173.999 105.049 91.0882 93.8851 264.909 PRESSAVG: 4404200 21.9388 -88.3546 -28.8054 -88.3546 -2.76796 14.9639 -28.8054 14.9638 8.29323 GPRESSAVG: 4404200 21.4623 -91.0133 -30.4237 -86.3273 -1.49675 14.0302 -27.0522 14.6275 7.52386 TIMING: 4404200 CPU: 13927.3, 0.0031478/step Wall: 13927.3, 0.0031478/step, 0.520962 hours remaining, 235.839844 MB of memory in use. ENERGY: 4404200 3944.4864 20491.7897 14492.9998 250.6485 -203361.5466 2597.7932 0.0000 0.0000 52112.7859 -109471.0430 299.4929 -161583.8289 -109109.6338 299.0341 112.2663 140.2992 760576.7183 9.1547 9.1631 LDB: ============= START OF LOAD BALANCING ============== 13939.8 LDB: ============== END OF LOAD BALANCING =============== 13939.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13939.8 LDB: ============= START OF LOAD BALANCING ============== 13940.1 LDB: Largest compute 7068 load 0.034252 is 17.5% of average load 0.195499 LDB: Average compute 0.004407 is 2.3% of average load 0.195499 LDB: TIME 13940.1 LOAD: AVG 0.195499 MAX 0.214166 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 13940.1 LOAD: AVG 0.195499 MAX 0.214166 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: TIME 13940.1 LOAD: AVG 0.195499 MAX 0.214166 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.602 MB LDB: ============== END OF LOAD BALANCING =============== 13940.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13940.1 PRESSURE: 4404400 -25.6932 -15.3737 -40.3719 -15.3737 -0.718563 -40.1583 -40.3713 -40.1574 -204.626 GPRESSURE: 4404400 -4.50306 -27.2927 -35.773 64.9672 -45.6737 6.78835 -101.387 -93.678 -97.6955 PRESSAVG: 4404400 -73.2657 -40.9784 -2.20169 -40.9783 36.0707 10.2472 -2.2017 10.2472 1.11159 GPRESSAVG: 4404400 -73.0378 -40.2189 -1.90971 -40.9874 35.4336 10.4013 -1.85268 10.5316 1.42348 TIMING: 4404400 CPU: 13927.9, 0.00321587/step Wall: 13927.9, 0.00321587/step, 0.532048 hours remaining, 235.070312 MB of memory in use. ENERGY: 4404400 3903.9657 20570.4168 14487.5671 244.3671 -203018.8829 2251.0195 0.0000 0.0000 52272.0270 -109289.5197 300.4081 -161561.5467 -108915.5947 299.5075 -77.0124 -49.2908 761641.6088 -12.0278 -12.0602 PRESSURE: 4404600 -350.534 15.1127 119.745 15.1125 -72.6064 -236.27 119.745 -236.27 186.721 GPRESSURE: 4404600 -258.215 -15.8611 137.398 45.6479 -96.7587 -263.454 112.803 -233.488 188.329 PRESSAVG: 4404600 -36.3008 -64.6236 23.3544 -64.6236 44.7007 -18.179 23.3544 -18.179 24.2323 GPRESSAVG: 4404600 -37.0827 -64.2394 22.3371 -65.7201 45.8465 -19.1092 22.5958 -18.9119 23.4902 TIMING: 4404600 CPU: 13928.5, 0.003146/step Wall: 13928.5, 0.003146/step, 0.520313 hours remaining, 235.070312 MB of memory in use. ENERGY: 4404600 4121.5505 20627.9881 14552.8886 246.4782 -203609.6146 2629.2992 0.0000 0.0000 52226.4827 -109204.9273 300.1463 -161431.4100 -108851.5962 300.1998 -78.8062 -55.5480 760006.7497 10.8774 10.7513 PRESSURE: 4404800 119.285 140.774 -18.3597 140.774 -151.932 -67.7224 -18.3591 -67.7225 -250.977 GPRESSURE: 4404800 153.974 137.859 -43.8752 119.323 -186.407 -31.4818 -18.9553 13.7961 -179.815 PRESSAVG: 4404800 18.8786 -29.7728 -25.4578 -29.7729 -23.1013 3.52838 -25.4578 3.52833 -5.34041 GPRESSAVG: 4404800 19.6882 -31.7051 -22.3727 -29.8518 -24.5252 2.82719 -26.7779 5.38148 -5.31772 TIMING: 4404800 CPU: 13929.2, 0.00314825/step Wall: 13929.2, 0.00314825/step, 0.520511 hours remaining, 235.070312 MB of memory in use. ENERGY: 4404800 3938.3881 20577.3595 14505.9635 226.1895 -203231.9332 2541.1105 0.0000 0.0000 52337.8444 -109105.0776 300.7863 -161442.9220 -108738.5892 299.9124 -94.5411 -70.7495 761402.8596 -3.1877 -3.3849 PRESSURE: 4405000 -34.9075 -79.6826 286.791 -79.6823 -413.307 112.404 286.79 112.406 -395.239 GPRESSURE: 4405000 14.5618 -95.6924 350.588 -53.9733 -367.406 95.3579 187.935 14.4578 -388.57 PRESSAVG: 4405000 -26.1259 3.64981 27.9609 3.64984 28.8362 -11.237 27.9609 -11.237 -5.71739 GPRESSAVG: 4405000 -26.3499 3.62198 28.1714 4.54742 28.5365 -9.88582 28.2366 -11.8048 -5.58352 TIMING: 4405000 CPU: 13929.8, 0.00314799/step Wall: 13929.8, 0.00314799/step, 0.520293 hours remaining, 235.070312 MB of memory in use. ENERGY: 4405000 4019.5210 20511.9207 14507.4717 235.6468 -202656.8133 2312.1581 0.0000 0.0000 51913.4490 -109156.6460 298.3473 -161070.0951 -108800.5217 299.8928 -281.1514 -247.1379 762299.0082 -1.0024 -1.1323 PRESSURE: 4405200 176.384 -280.923 134.95 -280.924 121.663 -33.3266 134.951 -33.3262 -20.3543 GPRESSURE: 4405200 223.915 -163.36 182.691 -137.51 173.731 -68.9648 115.988 6.89855 -17.0743 PRESSAVG: 4405200 -4.21883 -72.959 -27.6001 -72.959 8.96557 -60.0196 -27.6 -60.0196 -1.17108 GPRESSAVG: 4405200 -5.14439 -72.6437 -28.7407 -73.4429 9.11989 -59.57 -25.9891 -60.4034 -0.387098 TIMING: 4405200 CPU: 13930.4, 0.00315311/step Wall: 13930.4, 0.00315311/step, 0.520964 hours remaining, 235.070312 MB of memory in use. ENERGY: 4405200 4069.7006 20570.7097 14472.0167 263.6378 -202967.3708 2474.2343 0.0000 0.0000 52043.4766 -109073.5949 299.0946 -161117.0715 -108712.9577 299.8354 92.5644 126.8573 761304.8492 1.1919 1.1961 PRESSURE: 4405400 -41.5373 32.5683 -44.1276 32.5688 64.0434 -29.7724 -44.1271 -29.7718 -254.601 GPRESSURE: 4405400 19.2177 -7.25355 -57.6459 50.0744 120.305 9.53992 -34.8524 -48.8754 -295.391 PRESSAVG: 4405400 -88.792 13.6468 -21.7206 13.6468 53.5459 -32.0625 -21.7206 -32.0624 -13.6828 GPRESSAVG: 4405400 -88.9946 14.8685 -20.9685 12.7485 55.1161 -31.1725 -22.831 -31.5952 -15.5853 TIMING: 4405400 CPU: 13931.1, 0.00315258/step Wall: 13931.1, 0.00315258/step, 0.520701 hours remaining, 235.070312 MB of memory in use. ENERGY: 4405400 4007.4090 20739.7418 14500.5028 248.8729 -203562.0928 2738.3293 0.0000 0.0000 52277.2513 -109049.9856 300.4381 -161327.2369 -108688.8756 299.5895 -77.3651 -51.9558 759839.8114 -16.3096 -16.4879 PRESSURE: 4405600 235.115 -31.4083 -46.0537 -31.4084 9.83031 -132.895 -46.0536 -132.896 161.78 GPRESSURE: 4405600 214.175 11.6869 -48.4017 1.84795 93.4509 -149.961 -24.2086 -114.915 182.494 PRESSAVG: 4405600 -61.9968 -0.529915 -23.41 -0.52993 53.9613 16.2561 -23.4099 16.2562 26.9199 GPRESSAVG: 4405600 -60.8504 0.441194 -22.6236 0.289119 52.2706 12.9202 -23.9154 14.8436 27.8327 TIMING: 4405600 CPU: 13931.7, 0.00315667/step Wall: 13931.7, 0.00315667/step, 0.521202 hours remaining, 235.070312 MB of memory in use. ENERGY: 4405600 4002.4672 20678.1248 14497.9661 264.5124 -203276.9785 2799.9199 0.0000 0.0000 51822.0315 -109211.9566 297.8219 -161033.9882 -108851.9071 299.9783 135.5750 163.3733 762264.4408 6.2948 6.4176 PRESSURE: 4405800 -91.1038 5.82191 13.2468 5.82157 240.688 -38.7646 13.2463 -38.7652 12.9597 GPRESSURE: 4405800 -43.19 -51.8965 21.7113 -22.5574 296.844 -99.6697 17.0172 -68.2182 -29.0351 PRESSAVG: 4405800 -8.52323 -5.70033 -8.49051 -5.70034 -15.6417 20.1636 -8.49047 20.1636 -5.47596 GPRESSAVG: 4405800 -9.65335 -6.2972 -10.5906 -6.5663 -14.3402 21.2291 -9.59106 21.112 -5.611 TIMING: 4405800 CPU: 13932.3, 0.00316957/step Wall: 13932.3, 0.00316957/step, 0.523156 hours remaining, 235.070312 MB of memory in use. ENERGY: 4405800 3999.2563 20592.6003 14504.2369 244.9952 -203740.2585 2863.4654 0.0000 0.0000 52180.5402 -109355.1644 299.8823 -161535.7045 -108989.6803 299.1999 54.1812 74.8731 762076.8838 -9.8803 -9.8682 PRESSURE: 4406000 156.628 -54.8385 -147.673 -54.8385 -162.554 164.229 -147.673 164.228 405.709 GPRESSURE: 4406000 176.039 -124.24 -103.408 21.0989 -119.238 97.5725 -208.659 35.7493 434.63 PRESSAVG: 4406000 -20.6826 -32.3762 -30.4726 -32.3762 29.2214 -27.9665 -30.4727 -27.9666 -7.36314 GPRESSAVG: 4406000 -19.4662 -33.5883 -30.1412 -32.3785 27.8494 -26.8551 -30.3881 -30.3114 -7.31586 TIMING: 4406000 CPU: 13933, 0.00315231/step Wall: 13933, 0.00315231/step, 0.52013 hours remaining, 235.070312 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: 4406000 3959.5339 20520.7192 14518.2674 239.2175 -203913.0374 2894.3235 0.0000 0.0000 52100.6451 -109680.3308 299.4231 -161780.9760 -109325.7104 298.8036 133.2609 163.8102 760919.7812 0.3919 0.3558 PRESSURE: 4406200 -315.706 43.4539 42.6085 43.4541 57.6313 -75.4203 42.6086 -75.4202 -247.922 GPRESSURE: 4406200 -276.293 160.59 -49.4193 53.3427 117.184 -107.661 171.425 -7.85444 -272.85 PRESSAVG: 4406200 3.84474 -33.6771 -104.207 -33.6772 33.2346 -33.4986 -104.207 -33.4986 -1.30068 GPRESSAVG: 4406200 2.75099 -33.143 -103.939 -34.5158 33.1789 -34.3703 -102.226 -29.7171 -0.503063 TIMING: 4406200 CPU: 13933.6, 0.00315318/step Wall: 13933.6, 0.00315318/step, 0.5201 hours remaining, 235.070312 MB of memory in use. ENERGY: 4406200 3890.8808 20630.2120 14485.8960 244.6063 -203601.1976 2610.7711 0.0000 0.0000 51779.4892 -109959.3422 297.5774 -161738.8314 -109591.6278 298.5508 -168.6656 -143.9861 761460.5056 11.9262 11.8090 PRESSURE: 4406400 -52.4806 104.122 186.819 104.121 -339.512 -66.6083 186.82 -66.6093 364.43 GPRESSURE: 4406400 -72.5539 20.0083 199.158 65.0593 -203.185 -112.929 1.13847 -68.6166 343.847 PRESSAVG: 4406400 -9.54009 -14.8658 -39.6582 -14.8658 12.9501 -7.98646 -39.6583 -7.98647 -17.2616 GPRESSAVG: 4406400 -10.4592 -14.2409 -39.6066 -14.9718 12.9823 -7.41625 -41.4573 -9.69992 -16.6297 TIMING: 4406400 CPU: 13934.2, 0.00317018/step Wall: 13934.2, 0.00317018/step, 0.522728 hours remaining, 235.070312 MB of memory in use. ENERGY: 4406400 3960.0180 20588.3464 14485.1434 255.2321 -203472.9183 2551.5137 0.0000 0.0000 51682.4088 -109950.2560 297.0195 -161632.6648 -109597.1458 297.9345 -9.1876 22.7029 760764.1173 -4.6172 -4.7022 PRESSURE: 4406600 -214.572 -34.2652 -92.5584 -34.2644 -253.61 86.0424 -92.5594 86.0426 -24.6123 GPRESSURE: 4406600 -324.002 -41.9116 -85.0064 3.4954 -75.3206 0.229916 -177.356 92.3097 -20.6255 PRESSAVG: 4406600 -52.6139 19.8725 -54.8778 19.8725 17.1076 -40.6301 -54.8778 -40.63 -6.16492 GPRESSAVG: 4406600 -52.9825 19.7448 -55.74 21.6565 17.5948 -40.046 -54.9729 -42.8431 -6.30774 TIMING: 4406600 CPU: 13934.9, 0.00317665/step Wall: 13934.9, 0.00317665/step, 0.523618 hours remaining, 235.070312 MB of memory in use. ENERGY: 4406600 3980.9719 20501.8495 14513.9159 238.0625 -203467.4309 2466.3804 0.0000 0.0000 51791.1627 -109975.0881 297.6445 -161766.2508 -109618.9145 298.2126 -164.2649 -139.9828 760793.3331 -13.8904 -13.8985 PRESSURE: 4406800 -153.234 -312.64 18.5114 -312.64 170.996 1.45359 18.5113 1.45326 23.1584 GPRESSURE: 4406800 -162.665 -233.903 67.4054 -287.55 206.051 -50.5556 17.1315 78.7002 70.784 PRESSAVG: 4406800 -75.6631 11.5946 -22.2995 11.5946 78.6828 -38.5143 -22.2994 -38.5143 12.0358 GPRESSAVG: 4406800 -74.3316 10.8007 -22.0294 11.0788 77.6954 -40.8084 -22.3162 -35.1611 11.9358 TIMING: 4406800 CPU: 13935.5, 0.00316599/step Wall: 13935.5, 0.00316599/step, 0.521685 hours remaining, 235.070312 MB of memory in use. ENERGY: 4406800 4062.5480 20465.9428 14576.2632 243.3323 -203641.0585 2591.6233 0.0000 0.0000 51966.9429 -109734.4059 298.6547 -161701.3489 -109380.2239 298.3971 13.6399 38.0565 759449.3334 5.0185 5.0999 PRESSURE: 4407000 -353.778 -23.6427 74.9482 -23.6428 -119.222 -54.6459 74.9475 -54.6453 -130.368 GPRESSURE: 4407000 -364.65 152.866 33.3677 126.558 -29.2943 -119.676 128.395 -155.584 -115.317 PRESSAVG: 4407000 -34.5229 -12.1355 -21.7749 -12.1355 26.5466 9.30396 -21.7748 9.30397 -19.6303 GPRESSAVG: 4407000 -34.331 -9.85062 -22.2886 -11.5918 27.2024 10.1995 -21.433 7.65814 -20.3961 TIMING: 4407000 CPU: 13936.1, 0.00316658/step Wall: 13936.1, 0.00316658/step, 0.521607 hours remaining, 235.070312 MB of memory in use. ENERGY: 4407000 3976.8520 20667.0197 14527.3855 265.0874 -203662.7395 2564.2176 0.0000 0.0000 51885.9105 -109776.2670 298.1890 -161662.1775 -109413.0345 298.7429 -201.1225 -169.7537 761979.0094 -9.2022 -9.1749 PRESSURE: 4407200 -60.8123 -24.9752 381.931 -24.9753 -264.34 173.314 381.93 173.315 -485.758 GPRESSURE: 4407200 -175.453 -26.9522 363.587 -39.4702 -82.6968 126.235 253.497 40.3794 -471.35 PRESSAVG: 4407200 20.1031 -19.0481 -6.98202 -19.048 11.4734 29.4063 -6.98202 29.4062 -28.8709 GPRESSAVG: 4407200 18.709 -22.394 -8.22923 -17.2205 12.8483 29.1382 -5.03821 29.3075 -28.5637 TIMING: 4407200 CPU: 13936.8, 0.00316195/step Wall: 13936.8, 0.00316195/step, 0.520667 hours remaining, 235.070312 MB of memory in use. ENERGY: 4407200 4017.1982 20589.2605 14546.6699 255.4568 -203404.6057 2650.8223 0.0000 0.0000 51697.8450 -109647.3531 297.1082 -161345.1981 -109289.6057 298.3224 -270.3034 -243.1666 762856.8973 0.9019 0.9978 PRESSURE: 4407400 -111.651 268.995 46.2694 268.995 -144.283 -72.3254 46.2694 -72.3257 -5.83002 GPRESSURE: 4407400 -29.7349 126.473 44.3731 244.171 -112.722 -79.6311 42.9531 0.249719 -34.0836 PRESSAVG: 4407400 19.7531 -46.655 -46.5273 -46.6551 25.1982 -16.0736 -46.5273 -16.0737 -19.9985 GPRESSAVG: 4407400 22.314 -47.8372 -44.6081 -48.3635 23.3497 -16.297 -48.7626 -15.1083 -20.4359 TIMING: 4407400 CPU: 13937.4, 0.00313883/step Wall: 13937.4, 0.00313883/step, 0.516686 hours remaining, 235.070312 MB of memory in use. ENERGY: 4407400 4008.9098 20536.8114 14457.9360 243.3771 -203577.7154 2614.3927 0.0000 0.0000 51965.2193 -109751.0691 298.6448 -161716.2884 -109387.9341 298.5546 -87.2546 -58.8467 762346.2137 8.3176 8.4093 PRESSURE: 4407600 -92.71 -133.701 -167.101 -133.701 -11.837 -46.2845 -167.101 -46.283 157.553 GPRESSURE: 4407600 -108.009 -62.9614 -130.123 -120.835 -5.90516 -75.5417 -43.8723 -82.3409 244.461 PRESSAVG: 4407600 -18.0673 -34.9285 -6.6696 -34.9286 37.9095 42.926 -6.66966 42.9261 2.51593 GPRESSAVG: 4407600 -19.3606 -33.553 -6.93442 -36.4967 36.6294 43.7701 -5.72081 42.0396 5.04375 TIMING: 4407600 CPU: 13938, 0.00314792/step Wall: 13938, 0.00314792/step, 0.518007 hours remaining, 235.070312 MB of memory in use. ENERGY: 4407600 3979.8236 20593.0016 14560.3251 254.1902 -203289.6936 2410.8110 0.0000 0.0000 51838.7586 -109652.7834 297.9181 -161491.5420 -109296.4722 298.6877 17.6687 43.5158 760839.0048 7.4527 7.4375 PRESSURE: 4407800 85.9166 -85.724 -37.4608 -85.7238 -100.468 151.021 -37.4608 151.02 124.849 GPRESSURE: 4407800 86.6999 -138.204 12.6656 -72.3646 -21.5106 38.7889 55.1104 151.757 143.189 PRESSAVG: 4407800 -56.2272 -78.8564 -24.1668 -78.8564 -11.9855 19.8765 -24.1668 19.8766 16.6582 GPRESSAVG: 4407800 -56.1871 -76.7931 -22.8016 -77.9975 -10.3356 20.1468 -22.7853 20.0055 15.1103 TIMING: 4407800 CPU: 13938.7, 0.00319035/step Wall: 13938.7, 0.00319035/step, 0.524813 hours remaining, 235.070312 MB of memory in use. ENERGY: 4407800 3957.3421 20656.4338 14590.3362 245.2209 -203371.2022 2541.5736 0.0000 0.0000 51851.9741 -109528.3215 297.9940 -161380.2956 -109167.0401 299.2909 36.7659 69.4594 761491.6762 -17.1848 -17.1375 PRESSURE: 4408000 224.781 -164.676 17.9102 -164.676 -357.304 43.6933 17.91 43.6932 -56.2024 GPRESSURE: 4408000 143.726 -263.398 77.9403 -191.268 -185.765 110.369 -96.1671 -40.8831 -41.3243 PRESSAVG: 4408000 -82.5989 -42.1511 -12.0388 -42.1511 102.795 33.0651 -12.0387 33.0651 -14.9199 GPRESSAVG: 4408000 -83.7782 -44.2545 -11.7709 -42.5796 103.714 32.7276 -15.0566 32.9017 -14.1404 TIMING: 4408000 CPU: 13939.3, 0.00315533/step Wall: 13939.3, 0.00315533/step, 0.518877 hours remaining, 235.070312 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: 4408000 4020.9652 20537.5178 14521.0328 243.3144 -203590.2594 2721.4328 0.0000 0.0000 52081.2299 -109464.7664 299.3115 -161545.9963 -109103.3112 299.6294 -62.9083 -27.7878 760893.7809 1.7587 1.9318 PRESSURE: 4408200 -99.3074 -69.6875 -0.108812 -69.6871 -247.41 176.144 -0.108737 176.143 -229.322 GPRESSURE: 4408200 -27.1963 8.48833 80.7952 -49.916 -270.322 210.058 25.8615 283.732 -222.452 PRESSAVG: 4408200 -27.8054 -43.6551 -4.65236 -43.6551 -9.00222 45.9046 -4.65239 45.9046 -14.1169 GPRESSAVG: 4408200 -27.2777 -41.9761 -5.17904 -43.8858 -9.88749 46.1784 -4.60666 46.3604 -13.798 TIMING: 4408200 CPU: 13939.9, 0.00316127/step Wall: 13939.9, 0.00316127/step, 0.519678 hours remaining, 235.070312 MB of memory in use. ENERGY: 4408200 3923.4239 20522.8920 14613.9679 270.0942 -203348.9700 2365.1534 0.0000 0.0000 52108.0070 -109545.4315 299.4654 -161653.4385 -109168.0397 299.0749 -192.0133 -173.3236 761830.0782 -16.9748 -16.9877 LDB: ============= START OF LOAD BALANCING ============== 13952.5 LDB: ============== END OF LOAD BALANCING =============== 13952.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13952.5 LDB: ============= START OF LOAD BALANCING ============== 13952.8 LDB: Largest compute 7032 load 0.033287 is 17.0% of average load 0.195437 LDB: Average compute 0.004412 is 2.3% of average load 0.195437 LDB: TIME 13952.8 LOAD: AVG 0.195437 MAX 0.217358 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.148 MB LDB: TIME 13952.8 LOAD: AVG 0.195437 MAX 0.217358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: TIME 13952.8 LOAD: AVG 0.195437 MAX 0.217358 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.352 MB LDB: ============== END OF LOAD BALANCING =============== 13952.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13952.8 PRESSURE: 4408400 -195.399 -198.895 -103.545 -198.895 688.172 -103.314 -103.545 -103.313 394.985 GPRESSURE: 4408400 -56.3473 -170.176 -177.521 -64.4876 657.808 -48.9867 -33.0554 -157.729 346.064 PRESSAVG: 4408400 -54.2944 -25.4576 -12.5439 -25.4576 68.168 51.9177 -12.544 51.9177 30.9588 GPRESSAVG: 4408400 -53.4256 -26.0805 -14.1296 -25.4055 68.1465 52.1365 -10.9624 49.7568 29.904 TIMING: 4408400 CPU: 13940.6, 0.00322738/step Wall: 13940.6, 0.00322738/step, 0.530366 hours remaining, 235.558594 MB of memory in use. ENERGY: 4408400 4065.5841 20555.2842 14600.1260 246.8521 -203941.8831 2913.9112 0.0000 0.0000 52103.1187 -109457.0067 299.4373 -161560.1254 -109101.1488 299.1502 295.9195 315.8415 759349.2025 14.9442 14.8750 PRESSURE: 4408600 -321.378 61.5259 -316.616 61.5263 93.0773 -134.147 -316.616 -134.149 56.7798 GPRESSURE: 4408600 -211.442 41.1603 -319.023 113.445 85.9897 -23.3772 -203.239 -33.887 62.4298 PRESSAVG: 4408600 -49.6015 5.21168 -73.396 5.21164 86.8083 4.75822 -73.3961 4.75826 -8.79742 GPRESSAVG: 4408600 -49.9256 5.14144 -72.7941 5.78199 86.6183 5.0727 -73.8263 6.09242 -7.99702 TIMING: 4408600 CPU: 13941.2, 0.00315824/step Wall: 13941.2, 0.00315824/step, 0.518829 hours remaining, 235.558594 MB of memory in use. ENERGY: 4408600 3978.7198 20538.6760 14496.8356 258.6105 -203249.2904 2388.2635 0.0000 0.0000 51998.7934 -109589.3916 298.8378 -161588.1850 -109223.5584 299.7145 -57.1738 -21.0076 760201.8574 9.4698 9.5652 PRESSURE: 4408800 219.764 -50.2282 -33.8366 -50.2277 20.5719 42.3 -33.8372 42.3001 236.407 GPRESSURE: 4408800 239.651 -51.6813 -4.19178 -73.3236 -24.0392 3.64533 -23.9215 34.3888 324.431 PRESSAVG: 4408800 -53.2632 16.8036 7.92996 16.8035 31.4538 -0.532763 7.92997 -0.532646 -13.2169 GPRESSAVG: 4408800 -52.8733 17.0741 7.06873 17.8675 31.1955 -1.53154 9.95183 -0.0620138 -13.4993 TIMING: 4408800 CPU: 13941.8, 0.00316459/step Wall: 13941.8, 0.00316459/step, 0.519696 hours remaining, 235.558594 MB of memory in use. ENERGY: 4408800 4026.7479 20491.4851 14633.2635 256.8979 -203863.9272 2764.7035 0.0000 0.0000 51887.2742 -109803.5551 298.1969 -161690.8293 -109444.2738 298.7790 158.9143 180.0142 760837.9161 -11.6754 -11.7257 PRESSURE: 4409000 -280.652 22.9985 -98.0669 22.999 -74.8982 8.49796 -98.0669 8.49748 229.76 GPRESSURE: 4409000 -258.719 22.745 -81.6048 -137.482 40.4495 11.8835 -102.819 51.3794 164.116 PRESSAVG: 4409000 -32.8692 -20.3211 6.27918 -20.3211 21.7402 7.98958 6.27919 7.98961 28.5269 GPRESSAVG: 4409000 -32.2943 -20.4404 8.06884 -21.2897 22.2737 7.90082 3.38473 6.91219 27.2327 TIMING: 4409000 CPU: 13942.5, 0.00315273/step Wall: 13942.5, 0.00315273/step, 0.517573 hours remaining, 235.558594 MB of memory in use. ENERGY: 4409000 3996.6151 20568.9183 14419.0855 246.9921 -203428.3443 2395.7570 0.0000 0.0000 52011.2886 -109789.6877 298.9096 -161800.9763 -109430.2709 298.4296 -41.9299 -18.0511 761560.3503 5.7993 5.7374 PRESSURE: 4409200 -283.286 -140.302 0.671431 -140.302 177.649 -117.004 0.671792 -117.004 18.9691 GPRESSURE: 4409200 -157.041 -15.7711 45.8349 -100.035 100.442 -69.7002 -17.8107 23.3132 67.5962 PRESSAVG: 4409200 -32.6484 -24.4773 2.78566 -24.4773 26.6757 -14.1692 2.7856 -14.1692 -12.4628 GPRESSAVG: 4409200 -32.3283 -25.8667 1.81985 -23.5113 25.6947 -15.0449 4.10129 -12.286 -11.5028 TIMING: 4409200 CPU: 13943.1, 0.00313112/step Wall: 13943.1, 0.00313112/step, 0.513851 hours remaining, 235.558594 MB of memory in use. ENERGY: 4409200 4006.4876 20686.6752 14526.9086 238.4878 -203621.2761 2564.2886 0.0000 0.0000 51706.8668 -109891.5614 297.1601 -161598.4283 -109521.8974 298.4140 -28.8893 3.6655 762719.7627 -6.1451 -6.0455 PRESSURE: 4409400 -154.94 236.225 -89.2598 236.226 -292.882 -16.9814 -89.2592 -16.9807 11.3839 GPRESSURE: 4409400 -128.005 109.658 -87.7538 214.149 -266.382 -10.9601 -135.569 36.0632 49.7696 PRESSAVG: 4409400 12.172 -7.16051 -42.257 -7.16052 0.911793 -19.2022 -42.257 -19.2022 25.8351 GPRESSAVG: 4409400 11.8925 -6.30039 -42.6153 -8.19492 0.539847 -18.736 -43.5472 -19.8935 25.9094 TIMING: 4409400 CPU: 13943.7, 0.00312371/step Wall: 13943.7, 0.00312371/step, 0.512462 hours remaining, 235.558594 MB of memory in use. ENERGY: 4409400 4065.8785 20477.0754 14522.7538 260.6624 -203461.0728 2465.1096 0.0000 0.0000 51735.7164 -109933.8767 297.3259 -161669.5931 -109582.4888 298.4546 -145.4793 -114.8726 761443.4430 12.9730 12.7806 PRESSURE: 4409600 119.454 95.3243 -90.6226 95.3239 105.918 -159.834 -90.6216 -159.834 29.7662 GPRESSURE: 4409600 154.322 75.4668 -129.194 62.8052 119.886 -102.202 -136.442 -195.774 72.4248 PRESSAVG: 4409600 2.53121 2.17015 -44.9889 2.17018 -19.8071 9.94113 -44.989 9.94109 -1.12506 GPRESSAVG: 4409600 1.43239 2.4281 -44.6331 -0.675834 -18.268 10.1552 -44.8854 10.2102 -1.69495 TIMING: 4409600 CPU: 13944.3, 0.00312724/step Wall: 13944.3, 0.00312724/step, 0.512868 hours remaining, 235.558594 MB of memory in use. ENERGY: 4409600 3990.5272 20454.1261 14484.8383 232.9142 -204141.2395 3006.9235 0.0000 0.0000 51971.5235 -110000.3868 298.6811 -161971.9103 -109638.0777 297.8205 85.0460 115.5445 760330.8902 -6.1336 -6.1768 PRESSURE: 4409800 -83.0659 20.9296 32.0708 20.9284 37.883 -315.966 32.0704 -315.965 -460.827 GPRESSURE: 4409800 -50.2694 71.4904 121.815 65.7257 30.9412 -226.661 29.4345 -282.953 -420.956 PRESSAVG: 4409800 -2.57291 -45.4564 5.62876 -45.4564 25.7026 84.811 5.62882 84.811 -26.2228 GPRESSAVG: 4409800 -2.13631 -44.8433 8.46119 -42.5131 24.3742 85.2511 5.38451 84.8476 -24.9537 TIMING: 4409800 CPU: 13945, 0.00314122/step Wall: 13945, 0.00314122/step, 0.514986 hours remaining, 235.558594 MB of memory in use. ENERGY: 4409800 4015.4948 20610.6067 14465.3232 239.5246 -203374.4661 2565.7193 0.0000 0.0000 51678.7693 -109799.0281 296.9986 -161477.7974 -109443.9922 298.5327 -168.6699 -146.7614 762354.5304 -1.0310 -0.9053 PRESSURE: 4410000 -108.643 40.4905 86.5786 40.4899 81.0993 -126.484 86.5789 -126.484 -50.958 GPRESSURE: 4410000 -94.9668 -37.4126 17.6171 -16.9236 30.0373 -51.6864 90.2927 -82.5929 73.0826 PRESSAVG: 4410000 5.06767 -3.60514 22.2816 -3.6051 -22.4717 -39.7352 22.2817 -39.7353 -20.2016 GPRESSAVG: 4410000 5.41552 -3.6558 19.2859 -4.52077 -22.7049 -41.1582 24.6336 -41.0809 -19.6968 TIMING: 4410000 CPU: 13945.6, 0.00313128/step Wall: 13945.6, 0.00313128/step, 0.513183 hours remaining, 235.558594 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: 4410000 3985.9193 20446.8691 14543.6642 244.5542 -203273.0193 2449.5619 0.0000 0.0000 52012.9180 -109589.5326 298.9190 -161602.4507 -109218.5896 299.1524 -26.1673 2.7177 761346.1065 -12.5352 -12.3287 PRESSURE: 4410200 92.2118 -69.9811 126.815 -69.9814 57.2707 110.291 126.815 110.291 392.522 GPRESSURE: 4410200 95.6731 -121.309 115.996 -29.5964 161.145 136.604 191.099 29.7264 367.786 PRESSAVG: 4410200 -33.6512 -50.8897 5.88196 -50.8897 48.6266 31.4879 5.88192 31.4879 15.7465 GPRESSAVG: 4410200 -32.6322 -51.0948 5.96362 -50.1005 48.336 31.1028 4.70935 32.3781 15.3616 TIMING: 4410200 CPU: 13946.2, 0.00314568/step Wall: 13946.2, 0.00314568/step, 0.515368 hours remaining, 235.558594 MB of memory in use. ENERGY: 4410200 3975.5416 20347.3206 14535.9335 237.2999 -203418.3942 2635.3244 0.0000 0.0000 52067.2219 -109619.7522 299.2310 -161686.9741 -109262.6956 298.3711 180.6683 208.2013 760212.1599 10.2407 10.3551 PRESSURE: 4410400 -89.9659 -6.51557 15.9531 -6.51584 -273.649 -221.227 15.9526 -221.227 -18.6086 GPRESSURE: 4410400 -153.407 -33.7665 -0.561423 34.5369 -133.686 -249.884 132.888 -221.077 -16.9731 PRESSAVG: 4410400 -31.6304 -47.289 11.9595 -47.289 18.1004 -18.0528 11.9595 -18.0527 -18.3008 GPRESSAVG: 4410400 -31.7665 -46.7137 11.8555 -46.3409 20.2456 -16.7654 12.8318 -18.5487 -20.1269 TIMING: 4410400 CPU: 13946.9, 0.00316027/step Wall: 13946.9, 0.00316027/step, 0.517582 hours remaining, 235.558594 MB of memory in use. ENERGY: 4410400 3970.8640 20574.3305 14509.4496 231.8050 -203214.4990 2399.4087 0.0000 0.0000 51757.6065 -109771.0347 297.4517 -161528.6412 -109408.8430 298.5949 -127.4078 -101.3553 759954.3080 -10.6102 -10.5493 PRESSURE: 4410600 -251.295 -5.46688 -295.944 -5.46551 -330.094 158.877 -295.944 158.876 105.705 GPRESSURE: 4410600 -269.622 -38.6668 -295.622 -166.339 -288.857 165.195 -260.343 183.823 171.278 PRESSAVG: 4410600 -39.3648 -63.0286 -40.8017 -63.0287 66.5452 24.1375 -40.8016 24.1375 -13.6737 GPRESSAVG: 4410600 -41.0812 -62.3739 -41.0217 -66.4429 66.5001 24.2865 -40.2238 24.492 -11.9102 TIMING: 4410600 CPU: 13947.5, 0.0031554/step Wall: 13947.5, 0.0031554/step, 0.516609 hours remaining, 235.558594 MB of memory in use. ENERGY: 4410600 3940.9989 20544.0051 14551.8261 243.0665 -203275.6312 2464.3358 0.0000 0.0000 51828.4537 -109702.9451 297.8588 -161531.3989 -109344.6097 298.3861 -158.5611 -129.0669 762285.4557 4.5022 4.5029 PRESSURE: 4410800 115.864 -65.6556 -124.003 -65.6559 283.289 -32.0101 -124.002 -32.0104 70.8389 GPRESSURE: 4410800 210.846 -96.686 -88.6052 -20.2704 332.727 9.22991 -280.162 -123.658 24.1021 PRESSAVG: 4410800 -60.3727 5.56421 -2.87556 5.56419 53.8307 -17.4086 -2.87558 -17.4085 4.67686 GPRESSAVG: 4410800 -57.54 4.20322 -2.50243 9.37301 51.1156 -17.8025 -7.028 -18.2372 4.68218 TIMING: 4410800 CPU: 13948.1, 0.00313711/step Wall: 13948.1, 0.00313711/step, 0.51344 hours remaining, 235.558594 MB of memory in use. ENERGY: 4410800 4001.6309 20610.4756 14460.0212 259.0506 -203756.3890 2788.7612 0.0000 0.0000 51865.2093 -109771.2402 298.0701 -161636.4495 -109408.3888 298.5541 156.6639 189.2249 758954.7541 -0.6217 -0.5807 PRESSURE: 4411000 -359.238 -143.101 116.977 -143.101 244.461 27.1199 116.978 27.1195 -231.099 GPRESSURE: 4411000 -284.341 -122.89 77.2644 -98.7022 251.537 -31.9625 114.286 29.201 -222.782 PRESSAVG: 4411000 -66.5036 -20.0102 -75.5338 -20.0101 27.4032 29.6643 -75.5338 29.6643 19.631 GPRESSAVG: 4411000 -67.9285 -19.6373 -76.9377 -20.8471 28.7515 30.4855 -72.4611 30.6945 19.5611 TIMING: 4411000 CPU: 13948.7, 0.00314755/step Wall: 13948.7, 0.00314755/step, 0.514974 hours remaining, 235.558594 MB of memory in use. ENERGY: 4411000 3922.1343 20464.7561 14548.4599 240.1703 -203243.7012 2647.3779 0.0000 0.0000 51715.5539 -109705.2488 297.2100 -161420.8026 -109337.1762 298.5766 -115.2918 -85.1953 761639.0306 -6.4898 -6.5386 PRESSURE: 4411200 -16.6134 56.688 -34.4393 56.6878 117.988 111.7 -34.4396 111.699 62.3606 GPRESSURE: 4411200 68.9113 14.2092 23.5729 53.063 132.542 54.0478 -40.2922 260.627 45.4168 PRESSAVG: 4411200 -25.7933 -32.7104 11.1397 -32.7104 4.09261 18.0805 11.1397 18.0805 -10.1826 GPRESSAVG: 4411200 -25.0887 -33.6063 12.9016 -33.4211 5.2733 17.6266 10.7711 18.8536 -11.4785 TIMING: 4411200 CPU: 13949.4, 0.00312948/step Wall: 13949.4, 0.00312948/step, 0.511845 hours remaining, 235.558594 MB of memory in use. ENERGY: 4411200 3965.9035 20417.9923 14554.2334 248.7974 -203875.4710 2827.0969 0.0000 0.0000 52023.2968 -109838.1507 298.9786 -161861.4475 -109482.3739 298.7577 54.5784 82.2900 761045.6360 -10.6278 -10.4313 PRESSURE: 4411400 122.201 -22.341 -305.236 -22.341 -348.77 -11.429 -305.237 -11.4286 -346.208 GPRESSURE: 4411400 167.682 12.7072 -343.74 -67.3643 -301.404 -33.3264 -201.106 -29.4528 -357.627 PRESSAVG: 4411400 -23.6345 -32.4612 -13.491 -32.4612 34.3621 36.4795 -13.4909 36.4796 0.138681 GPRESSAVG: 4411400 -23.8409 -33.527 -13.6935 -32.6461 34.181 35.9839 -13.7747 34.8247 0.733923 TIMING: 4411400 CPU: 13950, 0.0031362/step Wall: 13950, 0.0031362/step, 0.512769 hours remaining, 235.558594 MB of memory in use. ENERGY: 4411400 4051.0726 20583.3156 14619.2155 264.8783 -203626.1169 2456.4186 0.0000 0.0000 52029.5571 -109621.6592 299.0146 -161651.2163 -109255.9718 298.3744 -190.9257 -163.7831 762143.8497 3.6221 3.6914 PRESSURE: 4411600 -296.297 -74.2914 -11.8633 -74.2923 -97.5061 -27.5164 -11.8632 -27.5188 113.567 GPRESSURE: 4411600 -284.608 -72.3441 1.50861 -48.6391 -27.4393 -87.0682 -116.149 -69.2459 97.2803 PRESSAVG: 4411600 -40.6965 10.2593 -33.8276 10.2593 20.0507 18.7141 -33.8276 18.7141 -6.09601 GPRESSAVG: 4411600 -40.4978 12.2734 -34.484 10.7191 19.4393 18.3071 -33.4171 19.8633 -5.76437 TIMING: 4411600 CPU: 13950.6, 0.00313724/step Wall: 13950.6, 0.00313724/step, 0.512765 hours remaining, 235.558594 MB of memory in use. ENERGY: 4411600 4018.8101 20586.8541 14473.6279 244.6241 -203309.6959 2302.8029 0.0000 0.0000 52081.2384 -109601.7384 299.3116 -161682.9768 -109231.9483 298.7899 -93.4119 -71.5891 760288.7077 -8.9139 -8.9410 PRESSURE: 4411800 53.0858 -246.237 159.018 -246.236 229.014 -62.1377 159.019 -62.1377 1.80115 GPRESSURE: 4411800 79.5504 -268.573 340.684 -174.618 254.074 -4.11099 24.3291 64.0265 23.7261 PRESSAVG: 4411800 -37.3402 -30.5537 -50.8902 -30.5536 25.6197 -5.51599 -50.8902 -5.51594 16.1138 GPRESSAVG: 4411800 -37.3322 -30.6431 -49.1104 -31.1131 25.7309 -4.71696 -52.92 -5.5353 16.0766 TIMING: 4411800 CPU: 13951.2, 0.00313672/step Wall: 13951.2, 0.00313672/step, 0.512504 hours remaining, 235.558594 MB of memory in use. ENERGY: 4411800 4022.7293 20674.1973 14512.2068 282.4982 -203803.6990 2733.0186 0.0000 0.0000 51992.9621 -109586.0868 298.8043 -161579.0489 -109228.2668 298.7495 94.6337 119.1168 760072.0166 1.4645 1.4918 PRESSURE: 4412000 -157.393 239.159 -211.005 239.159 -62.9321 163.527 -211.005 163.527 -122.749 GPRESSURE: 4412000 -63.9189 294.09 -232.445 132.782 -89.2588 75.0214 -32.3503 143.732 -119.594 PRESSAVG: 4412000 -70.8397 -15.1428 -45.0738 -15.1429 67.7808 60.9777 -45.0738 60.9777 11.7725 GPRESSAVG: 4412000 -70.5363 -15.3179 -45.7111 -13.5182 67.4607 60.5358 -44.1408 60.2213 11.9764 TIMING: 4412000 CPU: 13951.9, 0.0031481/step Wall: 13951.9, 0.0031481/step, 0.51419 hours remaining, 235.558594 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: 4412000 3958.6903 20506.2582 14572.6464 250.9914 -203631.7492 2514.1389 0.0000 0.0000 52168.7070 -109660.3169 299.8143 -161829.0239 -109290.4781 299.0540 -114.3582 -90.9238 761190.6211 2.9045 2.9669 PRESSURE: 4412200 97.7007 -34.1414 8.55035 -34.1409 172.296 41.5675 8.54997 41.5671 218.789 GPRESSURE: 4412200 157.327 -94.3953 -50.0467 79.3318 193.45 67.7772 -7.64284 -52.7734 210.044 PRESSAVG: 4412200 -45.3389 35.6565 -39.9294 35.6566 9.30259 38.6027 -39.9294 38.6026 -9.92884 GPRESSAVG: 4412200 -44.929 34.8273 -40.1429 34.4624 9.41232 37.7858 -41.374 40.0337 -9.73292 TIMING: 4412200 CPU: 13952.5, 0.00313609/step Wall: 13952.5, 0.00313609/step, 0.512054 hours remaining, 235.558594 MB of memory in use. ENERGY: 4412200 4056.3182 20549.5074 14582.2744 238.3507 -204006.7905 2906.4859 0.0000 0.0000 52088.3414 -109585.5124 299.3524 -161673.8538 -109219.6908 299.0485 162.9285 186.9403 761664.8713 -15.3217 -15.0832 LDB: ============= START OF LOAD BALANCING ============== 13965 LDB: ============== END OF LOAD BALANCING =============== 13965 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13965 LDB: ============= START OF LOAD BALANCING ============== 13965.4 LDB: Largest compute 7026 load 0.031966 is 16.3% of average load 0.195564 LDB: Average compute 0.004391 is 2.2% of average load 0.195564 LDB: TIME 13965.4 LOAD: AVG 0.195564 MAX 0.215096 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 13965.4 LOAD: AVG 0.195564 MAX 0.215096 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: TIME 13965.4 LOAD: AVG 0.195564 MAX 0.215096 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: ============== END OF LOAD BALANCING =============== 13965.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 13965.4 Info: useSync: 0 useProxySync: 0 PRESSURE: 4412400 -538.02 -234.036 262.049 -234.035 -660.034 22.8402 262.049 22.8409 -157.889 GPRESSURE: 4412400 -474.166 -125.661 208.708 -221.436 -681.895 98.1567 67.1784 58.3112 -120.029 PRESSAVG: 4412400 -57.1551 -26.7745 -23.0737 -26.7745 -7.45277 15.0675 -23.0738 15.0676 13.1725 GPRESSAVG: 4412400 -56.8067 -23.6853 -24.6263 -26.4937 -8.42655 17.4499 -23.5019 11.7508 13.6334 TIMING: 4412400 CPU: 13953.2, 0.00322095/step Wall: 13953.2, 0.00322095/step, 0.525731 hours remaining, 234.882812 MB of memory in use. ENERGY: 4412400 4093.6455 20494.8091 14475.9773 246.6564 -203199.0177 2324.3058 0.0000 0.0000 52129.3927 -109434.2309 299.5883 -161563.6236 -109068.7996 299.2661 -451.9806 -425.3634 762087.4940 -17.1451 -17.2000 PRESSURE: 4412600 -36.6417 -59.6684 14.4896 -59.6689 -286.206 -417.172 14.4884 -417.172 38.1218 GPRESSURE: 4412600 30.4527 -47.3924 -54.2323 -157.283 -305.996 -310.834 102.476 -339.53 87.1796 PRESSAVG: 4412600 -13.8475 -4.3791 -81.6903 -4.37911 36.8844 2.20658 -81.6903 2.20663 1.03152 GPRESSAVG: 4412600 -14.9897 -8.73328 -82.713 -4.91548 38.6679 0.50484 -79.0839 5.38858 0.571648 TIMING: 4412600 CPU: 13953.8, 0.00314203/step Wall: 13953.8, 0.00314203/step, 0.512675 hours remaining, 234.921875 MB of memory in use. ENERGY: 4412600 4050.3619 20466.5893 14365.5847 231.1150 -203739.4388 2925.0497 0.0000 0.0000 52047.5148 -109653.2234 299.1178 -161700.7382 -109287.3116 299.1136 -94.9088 -62.7879 763071.0915 8.0228 8.0833 PRESSURE: 4412800 -292.345 -144.509 -59.3255 -144.509 325.264 -57.313 -59.325 -57.3123 256.301 GPRESSURE: 4412800 -186.808 -20.966 -46.2817 -138.913 313.389 -194.532 1.25948 24.6214 257.984 PRESSAVG: 4412800 -5.99504 -86.1729 -20.7226 -86.1729 -1.26583 -16.7132 -20.7226 -16.7132 6.42699 GPRESSAVG: 4412800 -5.21667 -82.6267 -18.72 -86.7643 -2.41595 -17.1086 -21.8104 -15.0706 7.08544 TIMING: 4412800 CPU: 13954.4, 0.00313339/step Wall: 13954.4, 0.00313339/step, 0.511091 hours remaining, 235.125000 MB of memory in use. ENERGY: 4412800 3981.2529 20633.4951 14453.7117 237.6487 -203620.9900 2814.6058 0.0000 0.0000 51730.3465 -109769.9293 297.2950 -161500.2758 -109415.4160 298.8140 96.4066 128.1882 762262.9480 -0.2780 -0.1824 PRESSURE: 4413000 176.371 -9.85572 -8.96653 -9.85586 244.877 58.9803 -8.96741 58.98 -155.744 GPRESSURE: 4413000 151.424 19.1228 -6.11653 -14.017 360.066 50.6695 112.728 57.959 -179.666 PRESSAVG: 4413000 -20.4916 -86.8546 26.8121 -86.8546 14.1463 56.0303 26.812 56.0303 -28.9428 GPRESSAVG: 4413000 -20.9607 -86.7669 26.4391 -85.1903 13.6483 56.4272 27.3387 54.8253 -28.4005 TIMING: 4413000 CPU: 13955, 0.00313713/step Wall: 13955, 0.00313713/step, 0.511526 hours remaining, 235.125000 MB of memory in use. ENERGY: 4413000 3961.6783 20602.8309 14412.4777 237.5505 -203758.4101 2663.8340 0.0000 0.0000 51903.7012 -109976.3376 298.2913 -161880.0388 -109616.2838 298.5085 88.5014 110.6081 762073.2154 -11.7627 -11.9043 PRESSURE: 4413200 -3.08827 214.779 -17.249 214.779 380.859 -137.477 -17.249 -137.476 -173.228 GPRESSURE: 4413200 5.56589 181.974 -62.1876 188.751 379.597 -168.785 -110.036 -104.569 -100.593 PRESSAVG: 4413200 -25.7174 -1.83545 19.0169 -1.83549 -18.5657 -13.3621 19.0169 -13.3621 5.9029 GPRESSAVG: 4413200 -25.0648 -1.81016 17.3851 -3.82045 -18.3568 -13.3785 19.6853 -16.0865 5.0761 TIMING: 4413200 CPU: 13955.7, 0.00313687/step Wall: 13955.7, 0.00313687/step, 0.511309 hours remaining, 235.125000 MB of memory in use. ENERGY: 4413200 3992.4027 20632.0485 14517.7897 250.3865 -203923.3518 2829.7294 0.0000 0.0000 51695.1729 -110005.8220 297.0929 -161700.9949 -109651.1318 297.9876 68.1808 94.8566 761996.6772 -12.7934 -12.7819 PRESSURE: 4413400 -199.857 -222.197 256.396 -222.196 -348.444 12.2229 256.396 12.2237 502.317 GPRESSURE: 4413400 -263.305 -177.341 269.929 -212.137 -288.232 -54.7081 268.165 -54.0589 569.504 PRESSAVG: 4413400 -1.92401 -12.5388 -36.1824 -12.5388 25.7716 -20.3028 -36.1824 -20.3028 5.68145 GPRESSAVG: 4413400 -2.87364 -11.2152 -34.3221 -10.7628 26.1106 -21.1883 -37.3023 -18.259 6.56697 TIMING: 4413400 CPU: 13956.3, 0.00312943/step Wall: 13956.3, 0.00312943/step, 0.509923 hours remaining, 235.125000 MB of memory in use. ENERGY: 4413400 3974.5720 20369.2578 14507.1573 235.4825 -203416.5579 2672.2492 0.0000 0.0000 51914.9228 -109742.9162 298.3558 -161657.8390 -109385.1727 298.3113 -15.3281 5.9888 762508.0511 9.8430 9.9347 PRESSURE: 4413600 -109.361 0.433294 -158.96 0.433791 -253.191 93.8531 -158.959 93.854 -71.6628 GPRESSURE: 4413600 -126.497 -19.3661 -231.719 6.46296 -155.071 123.822 -6.50711 61.9604 -53.5485 PRESSAVG: 4413600 6.30618 -50.0978 0.271299 -50.0978 -9.12666 9.71884 0.271251 9.71874 -1.39537 GPRESSAVG: 4413600 7.08148 -52.9068 -2.07355 -48.1635 -8.6646 11.0797 3.07173 7.29925 -2.52398 TIMING: 4413600 CPU: 13956.9, 0.00312318/step Wall: 13956.9, 0.00312318/step, 0.508731 hours remaining, 235.125000 MB of memory in use. ENERGY: 4413600 3887.7682 20458.1682 14509.0530 230.7227 -203336.4847 2593.3217 0.0000 0.0000 51947.6681 -109709.7828 298.5440 -161657.4508 -109357.4520 298.6157 -144.7384 -111.7057 760822.1672 -1.4053 -1.3690 PRESSURE: 4413800 -140.937 -117.105 -161.004 -117.106 147.173 42.6735 -161.004 42.6729 25.0268 GPRESSURE: 4413800 7.58685 -19.4429 -232.668 -152.65 69.4034 -4.02135 -155.976 14.6548 22.165 PRESSAVG: 4413800 -58.4611 -35.5079 -43.5981 -35.508 24.9154 8.57526 -43.5981 8.57535 10.3895 GPRESSAVG: 4413800 -58.8911 -33.8976 -41.3331 -39.1808 25.2523 8.33625 -48.3608 12.264 10.0508 TIMING: 4413800 CPU: 13957.5, 0.00312058/step Wall: 13957.5, 0.00312058/step, 0.508135 hours remaining, 235.125000 MB of memory in use. ENERGY: 4413800 3895.8917 20224.8571 14516.2626 253.4083 -203034.1583 2422.4738 0.0000 0.0000 52084.5376 -109636.7273 299.3306 -161721.2648 -109274.0195 298.1181 10.4210 33.0517 760429.6578 -7.7187 -7.8627 PRESSURE: 4414000 -289.527 67.4636 -219.41 67.4636 360.977 -22.45 -219.41 -22.4504 50.5203 GPRESSURE: 4414000 -85.9302 55.5279 -202.983 36.5514 264.406 -10.229 -296.511 -91.6579 31.4366 PRESSAVG: 4414000 -30.9338 -2.06783 -22.0544 -2.06785 36.2828 29.9508 -22.0544 29.9509 9.59555 GPRESSAVG: 4414000 -30.6913 -5.09903 -21.6924 -1.77536 35.0139 28.9012 -20.5294 28.4322 10.7457 TIMING: 4414000 CPU: 13958.2, 0.00312654/step Wall: 13958.2, 0.00312654/step, 0.508931 hours remaining, 235.125000 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: 4414000 3972.3489 20399.5004 14514.1053 262.1897 -203116.8097 2611.9181 0.0000 0.0000 51895.7714 -109460.9759 298.2457 -161356.7473 -109108.9525 298.4490 40.6566 69.9710 761335.6208 4.9815 5.0228 PRESSURE: 4414200 -67.2269 13.3734 273.962 13.3726 -81.678 8.65426 273.962 8.65292 -240.123 GPRESSURE: 4414200 21.3722 63.6412 209.22 60.844 -70.4686 13.0139 79.1864 -81.5787 -257.901 PRESSAVG: 4414200 -14.468 16.3995 -63.7913 16.3995 30.1506 -18.3522 -63.7913 -18.3522 12.2585 GPRESSAVG: 4414200 -13.8226 16.6407 -64.3381 17.9166 30.5114 -17.6337 -64.3633 -17.8042 11.6832 TIMING: 4414200 CPU: 13958.8, 0.00312705/step Wall: 13958.8, 0.00312705/step, 0.50884 hours remaining, 235.125000 MB of memory in use. ENERGY: 4414200 3950.5004 20431.8184 14486.7488 260.0020 -203117.7574 2375.8379 0.0000 0.0000 52079.4338 -109533.4159 299.3012 -161612.8498 -109156.9865 298.8823 -129.6760 -102.3324 763445.7812 9.3137 9.4573 PRESSURE: 4414400 -40.8838 -117.054 -188.229 -117.055 184.711 -75.8418 -188.229 -75.8445 283.088 GPRESSURE: 4414400 39.0238 -39.0752 -195.238 -170.902 181.631 -161.335 -153.405 -73.4871 275.64 PRESSAVG: 4414400 -29.8295 -3.58296 -0.186343 -3.58291 16.477 1.13351 -0.186355 1.13348 -9.8851 GPRESSAVG: 4414400 -30.4155 -2.873 -0.483714 -4.48731 16.605 2.34568 2.67676 -1.30329 -9.80001 TIMING: 4414400 CPU: 13959.4, 0.003109/step Wall: 13959.4, 0.003109/step, 0.50573 hours remaining, 235.125000 MB of memory in use. ENERGY: 4414400 3960.9464 20392.4867 14448.8246 253.8585 -203275.8104 2547.0670 0.0000 0.0000 52085.7130 -109586.9141 299.3373 -161672.6272 -109223.4507 298.8889 142.3048 165.4315 761520.7956 -7.7459 -7.8702 PRESSURE: 4414600 -518.786 89.7838 -133.84 89.7841 -252.103 -12.5899 -133.84 -12.5899 -156.778 GPRESSURE: 4414600 -425.017 23.1436 -94.6453 199.278 -279.811 17.8009 -218.16 58.1142 -127.797 PRESSAVG: 4414600 -65.2271 14.2046 52.1885 14.2046 35.8961 12.6207 52.1885 12.6206 -10.5441 GPRESSAVG: 4414600 -65.8155 14.338 53.3287 13.523 35.8921 12.9819 48.5853 15.3438 -10.2758 TIMING: 4414600 CPU: 13960, 0.0031541/step Wall: 13960, 0.0031541/step, 0.512892 hours remaining, 235.125000 MB of memory in use. ENERGY: 4414600 3958.6951 20528.7293 14572.7759 244.3137 -203098.4999 2479.2104 0.0000 0.0000 51872.1594 -109442.6162 298.1100 -161314.7755 -109074.7250 298.6567 -309.2221 -277.5419 762281.6289 -13.2917 -13.3997 PRESSURE: 4414800 -293.473 -362.448 64.5456 -362.448 -138.672 -40.2635 64.5455 -40.2642 -523.127 GPRESSURE: 4414800 -172.947 -246.71 145.803 -388.367 -187.543 -54.094 20.339 56.0698 -522.234 PRESSAVG: 4414800 -66.6908 14.1817 51.013 14.1817 48.1564 -45.4911 51.013 -45.491 3.85957 GPRESSAVG: 4414800 -66.0824 14.6459 49.1093 14.7388 47.9464 -46.4455 52.9724 -45.0115 3.75296 TIMING: 4414800 CPU: 13960.7, 0.00313794/step Wall: 13960.7, 0.00313794/step, 0.51009 hours remaining, 235.125000 MB of memory in use. ENERGY: 4414800 3938.1809 20671.9831 14582.6374 245.1460 -203120.5499 2476.1709 0.0000 0.0000 52045.6587 -109160.7730 299.1071 -161206.4316 -108803.9254 299.2296 -318.4241 -294.2413 762121.2778 -4.8916 -4.7943 PRESSURE: 4415000 106.112 52.4493 -79.4026 52.4486 -40.1294 -409.787 -79.403 -409.789 197.843 GPRESSURE: 4415000 206.779 -38.3313 -101.185 -28.2204 19.9958 -379.724 12.6141 -235.635 115.555 PRESSAVG: 4415000 34.4057 -27.5209 17.9873 -27.5208 -39.112 -32.4967 17.9874 -32.4968 8.47315 GPRESSAVG: 4415000 34.3284 -26.4692 19.36 -26.7508 -38.4149 -32.11 15.5149 -32.1275 8.15299 TIMING: 4415000 CPU: 13961.3, 0.0031207/step Wall: 13961.3, 0.0031207/step, 0.507113 hours remaining, 235.125000 MB of memory in use. ENERGY: 4415000 3932.6640 20612.2360 14578.2727 250.9033 -203356.6153 2756.3759 0.0000 0.0000 52146.0000 -109080.1635 299.6838 -161226.1635 -108728.0536 299.0792 87.9418 114.1099 762705.0379 1.2556 1.3555 PRESSURE: 4415200 -292.597 -105.983 -150.214 -105.983 -240.325 -159.155 -150.213 -159.155 -166.501 GPRESSURE: 4415200 -226.46 -171.738 -96.5706 -41.7944 -142.517 -162.611 -152.432 -93.4822 -223.749 PRESSAVG: 4415200 -4.35535 -46.869 31.6164 -46.869 -19.3953 -68.4603 31.6164 -68.4604 -6.22002 GPRESSAVG: 4415200 -4.16395 -48.984 31.3907 -46.859 -19.1245 -69.529 33.949 -67.1919 -6.11858 TIMING: 4415200 CPU: 13961.9, 0.00314342/step Wall: 13961.9, 0.00314342/step, 0.510632 hours remaining, 235.125000 MB of memory in use. ENERGY: 4415200 4057.8544 20577.8892 14590.9978 269.1541 -202909.8536 2526.1849 0.0000 0.0000 51962.0822 -108925.6910 298.6268 -160887.7732 -108572.7505 299.2636 -233.1413 -197.5753 762779.0417 -9.9902 -9.8023 PRESSURE: 4415400 -32.9394 220.333 -51.0476 220.332 456.612 -118.428 -51.0471 -118.428 -22.3077 GPRESSURE: 4415400 -8.53723 70.6631 39.5457 182.456 557.491 -142.999 27.8647 18.3163 -77.0959 PRESSAVG: 4415400 -30.449 -17.8301 -14.571 -17.83 13.9822 -26.9764 -14.5711 -26.9764 -11.584 GPRESSAVG: 4415400 -30.1843 -17.6373 -15.3595 -18.7616 13.0754 -26.9978 -13.6579 -27.3471 -11.6986 TIMING: 4415400 CPU: 13962.5, 0.00315048/step Wall: 13962.5, 0.00315047/step, 0.511602 hours remaining, 235.125000 MB of memory in use. ENERGY: 4415400 3978.8669 20534.7374 14532.9128 241.0999 -203104.1778 2707.4088 0.0000 0.0000 52483.5421 -108625.6100 301.6236 -161109.1521 -108258.0224 300.2755 133.7881 157.2858 760645.1868 -9.3503 -9.6025 PRESSURE: 4415600 -175.049 -29.3077 33.0418 -29.3071 45.965 217.166 33.0423 217.167 -9.75479 GPRESSURE: 4415600 -147.158 11.3205 -58.6957 46.6493 35.2749 307.4 -99.4497 176.125 45.7736 PRESSAVG: 4415600 -31.9509 27.1757 -12.4021 27.1758 31.0004 -11.6405 -12.4022 -11.6404 5.79858 GPRESSAVG: 4415600 -31.8809 27.0883 -13.3724 28.8863 31.2122 -9.49241 -12.7916 -14.36 5.75654 TIMING: 4415600 CPU: 13963.2, 0.00313788/step Wall: 13963.2, 0.00313788/step, 0.509382 hours remaining, 235.125000 MB of memory in use. ENERGY: 4415600 4057.4274 20687.0095 14605.2283 260.8781 -203272.1165 2772.0897 0.0000 0.0000 52270.2305 -108619.2530 300.3977 -160889.4835 -108267.5273 300.9595 -46.2797 -22.0363 761977.5856 1.6160 1.6959 PRESSURE: 4415800 110.839 69.8474 19.2592 69.8488 -159.95 -195.476 19.2597 -195.478 -343.544 GPRESSURE: 4415800 124.502 94.7406 142.42 67.1465 -85.7456 -123.899 -88.1554 -164.337 -339.645 PRESSAVG: 4415800 -29.4693 -30.2871 -1.03171 -30.2871 60.9109 -18.994 -1.03168 -18.994 -2.43642 GPRESSAVG: 4415800 -30.08 -29.5997 2.58921 -32.3535 61.6573 -20.0671 -2.38163 -18.5707 -2.76291 TIMING: 4415800 CPU: 13963.8, 0.00315616/step Wall: 13963.8, 0.00315616/step, 0.512175 hours remaining, 235.125000 MB of memory in use. ENERGY: 4415800 3986.6417 20698.3535 14565.6684 229.1588 -203350.8080 2820.8409 0.0000 0.0000 52209.7236 -108840.4210 300.0500 -161050.1447 -108477.4487 300.5645 -130.8848 -100.2962 762857.7399 9.6684 9.6048 PRESSURE: 4416000 -179.743 61.6458 250.004 61.6453 491.024 -88.0924 250.004 -88.0917 214.39 GPRESSURE: 4416000 49.062 -88.3737 223.386 68.1164 377.668 -16.095 162.026 -75.0285 192.109 PRESSAVG: 4416000 -19.884 -32.8801 33.6146 -32.8801 28.141 -13.3724 33.6146 -13.3724 -5.59285 GPRESSAVG: 4416000 -18.7241 -33.7533 29.6446 -30.3066 25.7251 -13.6819 36.0733 -12.4349 -4.87142 TIMING: 4416000 CPU: 13964.4, 0.00316809/step Wall: 13964.4, 0.00316809/step, 0.513935 hours remaining, 235.125000 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: 4416000 3926.4814 20612.2291 14529.0505 236.7338 -203572.8309 3021.5601 0.0000 0.0000 52479.6298 -108767.1462 301.6012 -161246.7760 -108396.4861 300.4993 175.2236 206.2798 762590.8666 0.8881 0.7099 PRESSURE: 4416200 -14.5405 -226.708 159.496 -226.708 -5.09652 -34.1835 159.497 -34.1829 -228.744 GPRESSURE: 4416200 -72.1994 -73.3505 194.536 -125.098 177.231 60.5722 233.944 -89.0009 -263.661 PRESSAVG: 4416200 -46.158 52.3335 11.7662 52.3334 30.4544 26.4837 11.7662 26.4836 3.28291 GPRESSAVG: 4416200 -46.9201 53.9445 12.5658 51.3674 32.1211 24.8743 11.4448 26.9667 2.74012 TIMING: 4416200 CPU: 13965.1, 0.00315312/step Wall: 13965.1, 0.00315312/step, 0.511331 hours remaining, 235.125000 MB of memory in use. ENERGY: 4416200 3997.4462 20563.2581 14516.3342 231.0436 -203501.9680 2922.2710 0.0000 0.0000 52274.4445 -108997.1705 300.4220 -161271.6150 -108627.5795 300.3619 -82.7935 -52.8767 761734.3281 -4.1402 -4.0196 LDB: ============= START OF LOAD BALANCING ============== 13977.6 LDB: ============== END OF LOAD BALANCING =============== 13977.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13977.6 LDB: ============= START OF LOAD BALANCING ============== 13977.9 LDB: Largest compute 7078 load 0.032505 is 16.6% of average load 0.195531 LDB: Average compute 0.004399 is 2.2% of average load 0.195531 LDB: TIME 13977.9 LOAD: AVG 0.195531 MAX 0.212524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.203 MB LDB: TIME 13977.9 LOAD: AVG 0.195531 MAX 0.212524 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.242 MB LDB: TIME 13977.9 LOAD: AVG 0.195531 MAX 0.212524 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.242 MB LDB: ============== END OF LOAD BALANCING =============== 13977.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13977.9 PRESSURE: 4416400 -177.748 -125.017 2.69619 -125.017 16.5309 60.0606 2.69636 60.0605 -409.014 GPRESSURE: 4416400 -121.444 -97.7879 -7.21738 -95.0126 21.2111 187.399 -67.3671 -5.53377 -406.767 PRESSAVG: 4416400 -20.4467 -8.03091 -86.5449 -8.03096 20.0937 15.5909 -86.5449 15.591 12.1655 GPRESSAVG: 4416400 -20.9218 -9.68506 -85.727 -8.23321 21.0349 16.5897 -86.5538 16.6642 11.8434 TIMING: 4416400 CPU: 13965.7, 0.00320858/step Wall: 13965.7, 0.00320858/step, 0.520147 hours remaining, 235.652344 MB of memory in use. ENERGY: 4416400 4027.4222 20661.1239 14551.2111 259.0055 -202940.0392 2372.1050 0.0000 0.0000 52035.7652 -109033.4064 299.0503 -161069.1716 -108673.6544 300.2558 -190.0770 -168.9998 761984.9130 3.9375 3.9855 PRESSURE: 4416600 -290.966 83.1271 217.56 83.127 77.3297 28.4364 217.561 28.436 23.3024 GPRESSURE: 4416600 -218.929 70.9754 154.921 134.392 119.677 72.8124 197.947 17.3561 6.99253 PRESSAVG: 4416600 -18.5251 -8.09341 19.8775 -8.0934 53.8429 42.6401 19.8775 42.64 -18.1296 GPRESSAVG: 4416600 -19.5024 -6.31411 19.3848 -8.21631 53.584 42.1393 17.7731 40.7578 -16.8917 TIMING: 4416600 CPU: 13966.3, 0.0031202/step Wall: 13966.3, 0.0031202/step, 0.505646 hours remaining, 235.691406 MB of memory in use. ENERGY: 4416600 3996.2211 20580.1246 14536.2465 245.0857 -203411.3203 2782.6515 0.0000 0.0000 52213.8365 -109057.1544 300.0736 -161270.9909 -108690.8301 299.8178 -63.4446 -30.7532 761222.1267 5.7294 5.7300 PRESSURE: 4416800 -13.0829 41.0952 93.2108 41.0948 -185.001 17.4367 93.2114 17.4362 -27.3731 GPRESSURE: 4416800 -91.2175 118.349 54.7377 36.5252 -71.7517 3.58841 95.4334 22.0004 31.6938 PRESSAVG: 4416800 -14.9078 -13.6203 15.5487 -13.6204 21.4279 37.261 15.5487 37.261 17.3454 GPRESSAVG: 4416800 -13.6311 -16.8868 15.9527 -14.1648 21.6697 37.5224 16.1866 36.9975 16.4129 TIMING: 4416800 CPU: 13967, 0.00313838/step Wall: 13967, 0.00313838/step, 0.508417 hours remaining, 235.691406 MB of memory in use. ENERGY: 4416800 4021.5048 20537.5474 14543.7498 246.8262 -203177.2734 2678.1770 0.0000 0.0000 51900.7964 -109248.6719 298.2746 -161149.4683 -108895.1204 299.8421 -75.1525 -43.7585 760882.1220 7.9552 8.1505 PRESSURE: 4417000 7.19453 94.4941 -126.539 94.4938 -69.6232 -100.279 -126.54 -100.278 -77.5059 GPRESSURE: 4417000 -40.7951 51.4898 -163.369 43.6491 119.509 -196.025 -66.5607 -77.7329 -125.091 PRESSAVG: 4417000 -59.5771 -27.4045 -12.1842 -27.4045 81.9311 -34.3724 -12.1842 -34.3723 -10.0641 GPRESSAVG: 4417000 -59.8528 -26.5061 -12.0319 -26.5137 82.3505 -33.8256 -9.70847 -34.0348 -10.9894 TIMING: 4417000 CPU: 13967.6, 0.00314032/step Wall: 13967.6, 0.00314032/step, 0.508558 hours remaining, 235.691406 MB of memory in use. ENERGY: 4417000 4018.0034 20507.2417 14556.3592 248.5223 -203560.3821 2964.7554 0.0000 0.0000 52064.0356 -109201.4644 299.2127 -161265.5000 -108831.0725 299.2810 -46.6449 -15.4593 761277.8940 4.0966 3.8361 PRESSURE: 4417200 357.159 171.502 1.80275 171.503 60.7257 -203.203 1.80281 -203.201 -509.179 GPRESSURE: 4417200 314.898 70.3619 -42.3902 274.957 107.359 -196.884 148.541 -230.056 -423.188 PRESSAVG: 4417200 -47.1825 34.6955 32.4699 34.6955 16.78 -4.92462 32.4699 -4.92458 -3.0922 GPRESSAVG: 4417200 -48.0599 35.613 33.1107 34.5006 16.3179 -4.7066 29.9526 -5.69109 -2.019 TIMING: 4417200 CPU: 13968.2, 0.00314468/step Wall: 13968.2, 0.00314469/step, 0.50909 hours remaining, 235.691406 MB of memory in use. ENERGY: 4417200 4069.2012 20702.3621 14446.6789 229.1268 -203476.2068 2687.2414 0.0000 0.0000 52209.1994 -109132.3971 300.0470 -161341.5964 -108781.2396 300.0043 -30.4312 -0.3105 762361.3569 -11.1649 -11.2537 PRESSURE: 4417400 32.0895 -22.3302 153.589 -22.3309 188.276 -70.0526 153.589 -70.0526 304.335 GPRESSURE: 4417400 36.9738 88.8675 164.263 17.9212 205.834 -120.569 115.634 19.6903 368.635 PRESSAVG: 4417400 22.6778 -7.61366 -54.228 -7.61366 8.24385 -33.8953 -54.228 -33.8953 -2.18364 GPRESSAVG: 4417400 23.5786 -5.13524 -54.023 -8.42137 7.14886 -34.0652 -51.9131 -34.1727 -2.22563 TIMING: 4417400 CPU: 13968.8, 0.00312652/step Wall: 13968.8, 0.00312652/step, 0.505975 hours remaining, 235.691406 MB of memory in use. ENERGY: 4417400 4131.3600 20654.2011 14500.0113 248.2874 -203615.6295 2801.7635 0.0000 0.0000 52109.1243 -109170.8820 299.4719 -161280.0063 -108811.3377 299.7500 174.9002 203.8143 761098.7229 9.5793 9.5006 PRESSURE: 4417600 210.302 18.4118 -192.837 18.4127 -35.0001 41.2907 -192.837 41.2909 -196.628 GPRESSURE: 4417600 224.956 -25.4823 -94.3489 -132.173 15.1131 47.8684 -258.525 1.36255 -184.446 PRESSAVG: 4417600 -39.0646 -28.2018 -9.37749 -28.2019 14.5393 14.0588 -9.3775 14.0588 -12.3525 GPRESSAVG: 4417600 -39.2736 -28.185 -9.79744 -28.5611 14.853 11.887 -11.2017 15.3426 -12.6151 TIMING: 4417600 CPU: 13969.5, 0.0031535/step Wall: 13969.5, 0.0031535/step, 0.510167 hours remaining, 235.757812 MB of memory in use. ENERGY: 4417600 4003.5615 20659.0633 14469.0718 241.2398 -203607.4477 2674.7947 0.0000 0.0000 52070.9179 -109488.7987 299.2523 -161559.7167 -109123.9354 299.5487 -7.1088 18.5411 761116.0801 -12.2926 -12.3452 PRESSURE: 4417800 -10.5678 26.0419 50.2848 26.0412 202.241 132.107 50.2855 132.107 346.847 GPRESSURE: 4417800 48.2629 38.7191 39.6355 54.4861 198.248 145.999 78.6077 79.7426 394.64 PRESSAVG: 4417800 38.5216 -22.6138 3.4635 -22.6138 -25.2971 65.2178 3.46342 65.2177 -3.02573 GPRESSAVG: 4417800 37.535 -26.4823 3.56259 -20.1453 -24.8346 66.2816 4.54585 64.4497 -2.52671 TIMING: 4417800 CPU: 13970.1, 0.00316235/step Wall: 13970.1, 0.00316235/step, 0.511422 hours remaining, 235.757812 MB of memory in use. ENERGY: 4417800 3993.8813 20458.2650 14523.6414 245.6646 -203721.6529 2984.7098 0.0000 0.0000 51930.7566 -109584.7343 298.4468 -161515.4909 -109221.2153 298.8088 179.5070 213.7168 761505.9739 3.3996 3.3912 PRESSURE: 4418000 -191.878 -89.6705 225.071 -89.6708 -234.965 91.6174 225.071 91.6178 -89.6271 GPRESSURE: 4418000 -203.911 -307.291 205.9 -10.2146 -226.996 66.1529 308.942 49.7092 -5.20975 PRESSAVG: 4418000 -9.28014 -14.2671 -30.0245 -14.2671 3.74284 34.0702 -30.0244 34.0702 5.45061 GPRESSAVG: 4418000 -8.40145 -13.2029 -33.0141 -15.0467 3.68051 34.2935 -30.6514 33.2674 4.74207 TIMING: 4418000 CPU: 13970.7, 0.00312635/step Wall: 13970.7, 0.00312635/step, 0.505426 hours remaining, 235.757812 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: 4418000 4047.6784 20679.2696 14511.7448 249.5155 -202960.9988 2303.8472 0.0000 0.0000 51748.9526 -109419.9907 297.4019 -161168.9433 -109074.7551 298.9834 -172.1569 -145.3720 762043.0648 -0.0289 0.0070 PRESSURE: 4418200 -555.923 141.182 29.3326 141.182 -260.701 24.3457 29.3334 24.3471 -112.479 GPRESSURE: 4418200 -525.384 63.3807 -42.7354 107.525 -134.581 62.2183 69.3914 3.08323 -189.616 PRESSAVG: 4418200 49.3203 -35.6104 -15.8089 -35.6104 -32.9158 18.0462 -15.8089 18.0462 -4.97646 GPRESSAVG: 4418200 48.968 -35.0066 -13.5792 -34.7041 -31.7023 18.503 -16.7671 19.1599 -5.88316 TIMING: 4418200 CPU: 13971.4, 0.00313395/step Wall: 13971.4, 0.00313395/step, 0.506482 hours remaining, 235.757812 MB of memory in use. ENERGY: 4418200 4014.5647 20463.2787 14524.0901 246.3259 -202947.7209 2181.2227 0.0000 0.0000 52256.3822 -109261.8565 300.3181 -161518.2388 -108887.7083 299.5980 -309.7013 -283.1936 762824.0226 3.8094 3.7942 PRESSURE: 4418400 -238.01 62.4878 -3.82591 62.489 274.494 76.8625 -3.8251 76.8625 79.664 GPRESSURE: 4418400 -63.7557 17.0133 13.3198 -29.8426 172.991 11.4953 -124.908 38.614 79.5498 PRESSAVG: 4418400 -2.1482 65.0323 -40.6807 65.0323 14.5435 45.6675 -40.6808 45.6676 -6.79581 GPRESSAVG: 4418400 -1.75487 66.5221 -40.0864 62.8501 12.3454 44.7455 -40.9883 45.4655 -5.13653 TIMING: 4418400 CPU: 13972, 0.00313925/step Wall: 13972, 0.00313925/step, 0.507164 hours remaining, 235.757812 MB of memory in use. ENERGY: 4418400 4036.5928 20621.3173 14545.5198 243.6677 -203706.7501 2744.6497 0.0000 0.0000 52226.9816 -109288.0212 300.1492 -161515.0028 -108926.7698 299.6243 38.7158 62.9282 762952.2081 1.8665 1.8180 PRESSURE: 4418600 -622.384 194.279 -68.9403 194.278 -178.499 20.1853 -68.9397 20.1854 -122.589 GPRESSURE: 4418600 -536.916 99.9264 -84.6612 263.382 -208.513 17.2602 -112.475 132.177 -108.256 PRESSAVG: 4418600 -51.8084 44.473 19.9188 44.473 80.3338 -16.8019 19.9189 -16.8019 -2.53453 GPRESSAVG: 4418600 -52.8257 42.7701 19.6782 43.9862 81.102 -16.3413 21.6574 -16.4621 -2.48326 TIMING: 4418600 CPU: 13972.6, 0.00314703/step Wall: 13972.6, 0.00314703/step, 0.508245 hours remaining, 235.757812 MB of memory in use. ENERGY: 4418600 4027.8097 20687.2721 14531.5621 254.3505 -203440.2644 2589.6130 0.0000 0.0000 51973.2480 -109376.4088 298.6910 -161349.6569 -109012.8532 299.8079 -307.8240 -284.5618 764880.3929 8.6636 8.5977 PRESSURE: 4418800 429.482 -96.6367 233.601 -96.6367 138.655 41.0512 233.6 41.0524 175.06 GPRESSURE: 4418800 463.676 -185.604 207.677 -127.483 119.964 -19.5006 306.614 147.817 256.252 PRESSAVG: 4418800 -32.6881 -3.11325 -17.4589 -3.11328 9.41589 -9.46881 -17.4589 -9.4688 0.581476 GPRESSAVG: 4418800 -33.4139 -4.28039 -17.1685 -2.01892 10.4384 -9.3297 -16.578 -7.37002 -0.217413 TIMING: 4418800 CPU: 13973.2, 0.00312083/step Wall: 13973.2, 0.00312083/step, 0.50384 hours remaining, 235.757812 MB of memory in use. ENERGY: 4418800 3969.1876 20631.0480 14547.6429 265.6063 -203595.1392 2741.7152 0.0000 0.0000 51960.0848 -109479.8543 298.6153 -161439.9391 -109112.2742 299.1791 247.7325 279.9640 761132.3305 -7.5636 -7.7310 PRESSURE: 4419000 57.3434 99.902 170.925 99.9016 -172.491 41.6884 170.925 41.6888 169.151 GPRESSURE: 4419000 105.449 -56.8771 186.031 22.9792 -67.1354 100.026 115.319 -43.673 113.616 PRESSAVG: 4419000 -8.39756 16.4424 11.5989 16.4423 13.3981 29.7451 11.5989 29.7452 2.98999 GPRESSAVG: 4419000 -8.30505 16.4342 11.2135 17.7809 12.2884 29.2487 10.0149 28.0274 3.87924 TIMING: 4419000 CPU: 13973.9, 0.00314381/step Wall: 13973.9, 0.00314381/step, 0.507376 hours remaining, 235.757812 MB of memory in use. ENERGY: 4419000 4020.0624 20518.9552 14490.2515 232.7200 -203344.9821 2595.9983 0.0000 0.0000 51969.7619 -109517.2328 298.6709 -161486.9947 -109158.8535 299.1692 18.0013 50.6434 760836.9752 2.6635 2.6209 PRESSURE: 4419200 100.634 -110.424 -41.3419 -110.423 -230.88 469.92 -41.3429 469.919 -444.204 GPRESSURE: 4419200 136.032 10.8087 -151.992 -173.025 -203.576 448.958 -25.563 335.075 -428.257 PRESSAVG: 4419200 2.7031 -13.651 -40.1069 -13.6511 -12.5265 40.9537 -40.1068 40.9536 3.12833 GPRESSAVG: 4419200 2.8339 -11.4868 -39.5282 -15.564 -12.8509 41.2708 -41.5395 37.8843 3.36442 TIMING: 4419200 CPU: 13974.5, 0.00312684/step Wall: 13974.5, 0.00312684/step, 0.504463 hours remaining, 235.757812 MB of memory in use. ENERGY: 4419200 3971.8629 20589.4528 14581.2721 239.8346 -203112.5627 2547.1517 0.0000 0.0000 51887.4871 -109295.5015 298.1981 -161182.9885 -108930.6552 298.9118 -191.4836 -165.2670 763890.4784 -2.2317 -2.2175 PRESSURE: 4419400 -359.43 5.44782 -1.26958 5.44812 -25.5419 -9.57034 -1.27005 -9.57048 -461.707 GPRESSURE: 4419400 -213.839 -11.5263 44.2703 64.257 -91.3842 -10.7768 -28.0279 168.596 -449.897 PRESSAVG: 4419400 -15.4183 33.6216 33.7562 33.6216 9.79307 5.56733 33.7562 5.5674 20.4895 GPRESSAVG: 4419400 -14.0622 31.3723 32.9977 34.3125 8.42897 5.89309 35.0562 9.43893 20.752 TIMING: 4419400 CPU: 13975.1, 0.00315373/step Wall: 13975.1, 0.00315373/step, 0.508627 hours remaining, 235.757812 MB of memory in use. ENERGY: 4419400 4068.7634 20580.5781 14410.3643 234.9220 -203402.8253 2640.3185 0.0000 0.0000 51989.5846 -109478.2943 298.7849 -161467.8789 -109111.6519 299.4795 -282.2263 -251.7068 763726.6341 4.9548 5.0396 PRESSURE: 4419600 264.842 96.7177 36.456 96.7174 285.78 41.2683 36.4561 41.2672 -81.7402 GPRESSURE: 4419600 342.78 98.4775 -18.4619 -10.5208 358.695 4.75798 -5.6127 164.762 -156.754 PRESSAVG: 4419600 -28.4551 19.6608 15.9262 19.6608 -24.7778 48.6746 15.9262 48.6746 -5.58867 GPRESSAVG: 4419600 -28.7961 20.9147 16.5678 20.7607 -23.225 48.5667 16.814 48.4249 -6.46511 TIMING: 4419600 CPU: 13975.8, 0.00314186/step Wall: 13975.8, 0.00314186/step, 0.506537 hours remaining, 235.757812 MB of memory in use. ENERGY: 4419600 3950.9304 20483.0499 14531.4526 235.9133 -203316.3657 2705.9246 0.0000 0.0000 52330.3914 -109078.7034 300.7435 -161409.0948 -108726.8098 299.4329 156.2940 181.5738 760290.1362 -19.6072 -19.4954 PRESSURE: 4419800 -15.1046 -85.5066 -99.1272 -85.5056 -55.266 44.776 -99.1275 44.776 187.497 GPRESSURE: 4419800 -5.49319 -134.136 -78.9676 -50.6854 29.1997 12.0976 -97.3029 -44.7622 172.724 PRESSAVG: 4419800 23.5687 54.7467 -44.5347 54.7467 -5.85351 105.101 -44.5348 105.101 -13.6997 GPRESSAVG: 4419800 23.3877 55.1872 -44.4175 52.7972 -5.98229 102.662 -47.8233 104.466 -13.5774 TIMING: 4419800 CPU: 13976.4, 0.00315686/step Wall: 13976.4, 0.00315686/step, 0.508781 hours remaining, 235.757812 MB of memory in use. ENERGY: 4419800 3951.6958 20539.7627 14534.2706 264.2596 -203487.2522 2713.3046 0.0000 0.0000 52077.3168 -109406.6420 299.2891 -161483.9588 -109046.7149 299.2301 39.0423 65.4769 761934.9285 1.3385 1.2760 PRESSURE: 4420000 6.61083 -77.9769 -93.7833 -77.9775 -358.394 -128.455 -93.7824 -128.455 -47.8596 GPRESSURE: 4420000 -36.9266 60.4314 -146.86 -25.1505 -204.075 -81.1343 58.3166 -103.126 -64.6694 PRESSAVG: 4420000 -56.8357 39.3441 -20.6173 39.3441 40.9658 32.2166 -20.6173 32.2165 -21.1802 GPRESSAVG: 4420000 -57.2364 39.7663 -21.0332 40.3084 41.245 34.4378 -17.9249 32.061 -20.7558 TIMING: 4420000 CPU: 13977, 0.00317339/step Wall: 13977, 0.00317339/step, 0.511268 hours remaining, 235.757812 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: 4420000 4015.2688 20517.3535 14414.9415 227.7360 -203304.2976 2721.8777 0.0000 0.0000 52001.8177 -109405.3025 298.8552 -161407.1202 -109048.3909 298.9479 -133.2141 -101.8903 762507.1639 -12.3500 -12.2490 PRESSURE: 4420200 29.3182 8.86734 85.2627 8.86727 34.4458 -82.3983 85.2615 -82.3983 137.768 GPRESSURE: 4420200 124.085 -14.3861 105.054 77.1704 50.3143 -149.521 98.0935 -27.3322 113.153 PRESSAVG: 4420200 21.8113 -26.4753 15.7767 -26.4752 -18.8118 -61.2503 15.7767 -61.2502 24.3412 GPRESSAVG: 4420200 23.6023 -28.3233 15.493 -28.3219 -20.1522 -62.1086 16.257 -60.9923 23.5604 TIMING: 4420200 CPU: 13977.7, 0.00315493/step Wall: 13977.7, 0.00315493/step, 0.508119 hours remaining, 235.757812 MB of memory in use. ENERGY: 4420200 3943.8457 20305.1341 14465.2825 228.8462 -202946.3723 2527.0239 0.0000 0.0000 52149.1070 -109327.1330 299.7016 -161476.2400 -108967.8015 298.7979 67.1772 95.8508 761911.3858 9.1136 9.0035 LDB: ============= START OF LOAD BALANCING ============== 13990.2 LDB: ============== END OF LOAD BALANCING =============== 13990.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13990.2 LDB: ============= START OF LOAD BALANCING ============== 13990.5 LDB: Largest compute 7078 load 0.033929 is 17.4% of average load 0.195471 LDB: Average compute 0.004404 is 2.3% of average load 0.195471 LDB: TIME 13990.5 LOAD: AVG 0.195471 MAX 0.213629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.938 MB LDB: TIME 13990.5 LOAD: AVG 0.195471 MAX 0.213629 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: TIME 13990.5 LOAD: AVG 0.195471 MAX 0.213629 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.055 MB LDB: ============== END OF LOAD BALANCING =============== 13990.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13990.5 PRESSURE: 4420400 124.528 188.943 -108.273 188.943 198.345 -251.552 -108.273 -251.552 -142.537 GPRESSURE: 4420400 189.497 46.0705 -75.4553 158.529 202.136 -209.845 -186.429 -221.816 -130.364 PRESSAVG: 4420400 19.095 -8.9949 -26.6587 -8.99479 -30.0533 -12.5384 -26.6586 -12.5383 11.2751 GPRESSAVG: 4420400 18.2667 -9.81849 -25.6179 -7.80273 -29.6902 -11.4971 -26.9383 -12.3192 11.8611 TIMING: 4420400 CPU: 13978.3, 0.00324491/step Wall: 13978.3, 0.00324491/step, 0.52243 hours remaining, 237.507812 MB of memory in use. ENERGY: 4420400 3927.5735 20433.5385 14486.9442 261.4250 -203097.7080 2549.1909 0.0000 0.0000 52091.0176 -109348.0184 299.3678 -161439.0360 -108980.2539 299.4602 60.1117 87.0895 760745.2425 0.1056 0.1459 PRESSURE: 4420600 -200.989 -275.966 -6.01543 -275.966 232.638 111.537 -6.01532 111.537 -554.223 GPRESSURE: 4420600 -132.049 -175.833 6.6297 -328.84 294.804 71.3478 -48.102 157.397 -573.577 PRESSAVG: 4420600 -65.9221 -12.262 28.1593 -12.262 35.0504 17.523 28.1592 17.523 -4.51841 GPRESSAVG: 4420600 -65.5014 -10.7893 26.8826 -12.5749 35.5566 16.9762 27.7614 19.2422 -5.14462 TIMING: 4420600 CPU: 13978.9, 0.00316573/step Wall: 13978.9, 0.00316573/step, 0.509506 hours remaining, 238.109375 MB of memory in use. ENERGY: 4420600 4009.8382 20423.2940 14433.2226 255.6576 -203207.9338 2433.8744 0.0000 0.0000 52293.5143 -109358.5328 300.5315 -161652.0471 -108983.5112 299.5399 -174.1912 -136.9408 760094.9895 -11.7967 -11.6965 PRESSURE: 4420800 275.424 21.002 -228.865 21.0017 26.6039 127.983 -228.866 127.984 285.597 GPRESSURE: 4420800 347.278 20.516 -179.327 10.3862 96.8067 144.807 -134.282 164.262 243.324 PRESSAVG: 4420800 -52.825 -12.3792 -34.1505 -12.3791 41.7046 -66.0682 -34.1506 -66.0682 1.50405 GPRESSAVG: 4420800 -54.5536 -11.5699 -32.6537 -14.1104 42.3782 -65.0439 -34.2492 -69.576 1.90622 TIMING: 4420800 CPU: 13979.6, 0.00317336/step Wall: 13979.6, 0.00317336/step, 0.510558 hours remaining, 238.109375 MB of memory in use. ENERGY: 4420800 3998.3591 20530.1050 14473.6778 239.4515 -203643.3566 2903.2259 0.0000 0.0000 52056.8901 -109441.6472 299.1717 -161498.5373 -109081.4931 299.6703 195.8751 229.1361 759550.7859 -3.2055 -3.4231 PRESSURE: 4421000 -141.039 -188.993 56.35 -188.993 229.686 -171.254 56.3508 -171.253 -190.541 GPRESSURE: 4421000 -230.76 -164.274 10.8505 -199.913 342.637 -176.167 195.744 -236.251 -125.733 PRESSAVG: 4421000 -19.7247 -31.16 10.9653 -31.1601 22.026 5.90264 10.9654 5.90266 -7.31689 GPRESSAVG: 4421000 -19.6213 -31.0796 8.77454 -30.2186 20.938 3.11853 12.8644 7.99203 -6.25454 TIMING: 4421000 CPU: 13980.2, 0.00313765/step Wall: 13980.2, 0.00313765/step, 0.504638 hours remaining, 238.109375 MB of memory in use. ENERGY: 4421000 4027.0103 20552.8967 14498.9989 252.6684 -203092.6153 2467.9756 0.0000 0.0000 51973.4444 -109319.6210 298.6921 -161293.0655 -108963.2664 299.2196 -33.9648 -4.6188 761343.2165 -1.6719 -1.6460 PRESSURE: 4421200 -91.1186 -66.7622 91.1079 -66.7626 -16.8222 13.1732 91.108 13.1734 -25.7777 GPRESSURE: 4421200 -83.8567 -25.1002 27.0913 -43.6217 -23.6431 102.888 48.28 -44.612 37.4384 PRESSAVG: 4421200 -13.9116 -55.2871 -7.91106 -55.2871 21.5622 -5.42385 -7.91102 -5.42384 0.581992 GPRESSAVG: 4421200 -13.4966 -55.9723 -5.98249 -56.2165 22.3375 -3.66705 -8.72688 -4.71998 -1.02474 TIMING: 4421200 CPU: 13980.8, 0.00313143/step Wall: 13980.8, 0.00313143/step, 0.503465 hours remaining, 238.109375 MB of memory in use. ENERGY: 4421200 3999.4844 20650.8804 14467.9046 240.1183 -203221.6351 2443.3597 0.0000 0.0000 52149.6092 -109270.2786 299.7045 -161419.8877 -108899.1440 299.6376 -44.5728 -23.3538 762301.8523 2.7442 2.6054 PRESSURE: 4421400 -41.9377 -90.2713 -253.797 -90.2704 62.0264 264.802 -253.797 264.802 -273.427 GPRESSURE: 4421400 -42.2832 -100.615 -307.726 -41.1335 45.2006 283.993 -159.873 136.978 -184.304 PRESSAVG: 4421400 -5.83122 -27.6742 -1.78667 -27.6743 32.3487 20.2136 -1.78669 20.2135 -4.26963 GPRESSAVG: 4421400 -6.6907 -28.7188 -3.16627 -27.7433 32.8676 19.0509 -2.3252 17.5008 -3.16049 TIMING: 4421400 CPU: 13981.5, 0.00316211/step Wall: 13981.5, 0.00316211/step, 0.508221 hours remaining, 238.109375 MB of memory in use. ENERGY: 4421400 3998.5861 20651.8240 14510.3792 223.0209 -203385.3210 2647.8365 0.0000 0.0000 51949.5650 -109404.1092 298.5549 -161353.6743 -109046.8139 299.6777 -84.4460 -60.4622 761921.3727 7.4160 7.6721 PRESSURE: 4421600 -15.1832 -64.5383 57.5618 -64.5379 232.715 -9.53153 57.5602 -9.53142 85.7367 GPRESSURE: 4421600 -4.66686 -31.8197 120.249 -171.749 299.693 -27.5834 162.063 -78.6179 101.379 PRESSAVG: 4421600 12.5413 10.3638 11.6645 10.3638 19.4191 -9.48329 11.6644 -9.48332 5.59999 GPRESSAVG: 4421600 13.3061 10.0982 11.7385 13.3645 19.4784 -9.60728 11.343 -9.01636 4.75783 TIMING: 4421600 CPU: 13982.1, 0.00316498/step Wall: 13982.1, 0.00316498/step, 0.508507 hours remaining, 238.109375 MB of memory in use. ENERGY: 4421600 3950.2996 20584.0949 14453.3766 231.5186 -203644.4343 2881.8637 0.0000 0.0000 52042.4252 -109500.8556 299.0885 -161543.2808 -109132.7659 298.9054 101.0896 132.1351 760962.5067 12.5201 12.5141 PRESSURE: 4421800 -352.681 -72.0184 225.996 -72.018 448.999 -60.3399 225.995 -60.3399 -53.0597 GPRESSURE: 4421800 -143.09 -21.9389 179.355 -109.5 334.041 -126.37 263.853 -69.8718 -65.351 PRESSAVG: 4421800 -72.0001 -22.866 14.5174 -22.8661 42.9162 -14.843 14.5175 -14.843 -23.7992 GPRESSAVG: 4421800 -69.7363 -21.2654 16.6712 -23.8703 41.0402 -13.8499 14.1433 -16.0276 -24.6929 TIMING: 4421800 CPU: 13982.7, 0.00315596/step Wall: 13982.7, 0.00315596/step, 0.506883 hours remaining, 238.109375 MB of memory in use. ENERGY: 4421800 3948.1600 20527.0897 14445.2612 250.0279 -203536.9228 2418.4537 0.0000 0.0000 52301.0046 -109646.9257 300.5746 -161947.9303 -109276.4955 298.8840 14.4194 41.8667 760452.1126 -17.6277 -17.7963 PRESSURE: 4422000 39.1002 17.4889 295.911 17.4889 -1.07382 -1.55256 295.912 -1.55263 -231.934 GPRESSURE: 4422000 -111.504 -18.8277 265.097 -16.8379 157.229 -27.6667 219.627 111.051 -144.687 PRESSAVG: 4422000 28.6247 -72.4278 -50.7684 -72.4279 36.6983 -37.387 -50.7684 -37.3869 -5.17025 GPRESSAVG: 4422000 26.3744 -73.4517 -52.4681 -71.3224 38.6771 -37.5029 -50.0914 -32.8518 -4.46522 TIMING: 4422000 CPU: 13983.4, 0.00314786/step Wall: 13983.4, 0.00314786/step, 0.505407 hours remaining, 238.109375 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: 4422000 4042.0124 20516.0538 14420.1098 251.3122 -203120.5151 2227.5113 0.0000 0.0000 52095.4251 -109568.0905 299.3931 -161663.5156 -109211.3274 298.8730 -64.6359 -32.9875 761016.7774 20.0509 20.1954 PRESSURE: 4422200 59.8567 -52.582 -174.256 -52.5816 225.731 -9.30389 -174.255 -9.3036 -6.27628 GPRESSURE: 4422200 107.618 -36.1841 -109.563 -40.6171 178.997 17.815 -145.061 -31.3746 60.2238 PRESSAVG: 4422200 -44.051 -23.5589 31.9033 -23.5589 47.5066 5.19891 31.9033 5.19896 -41.8532 GPRESSAVG: 4422200 -44.5512 -22.7879 32.424 -24.0398 46.3308 4.63855 32.7149 4.76744 -40.3459 TIMING: 4422200 CPU: 13984, 0.00313574/step Wall: 13984, 0.00313574/step, 0.503287 hours remaining, 238.109375 MB of memory in use. ENERGY: 4422200 3973.9836 20533.4842 14541.1991 239.6133 -203726.8996 2675.8662 0.0000 0.0000 52303.8316 -109458.9217 300.5908 -161762.7532 -109093.1015 299.0969 93.1039 115.6126 761092.2525 -12.7992 -12.8554 PRESSURE: 4422400 185.406 -108.062 -101.849 -108.063 -245.665 -264.125 -101.848 -264.127 71.6939 GPRESSURE: 4422400 300.646 -41.0975 -22.0606 -108.337 -208.337 -227.947 -129.148 -126.426 -21.6644 PRESSAVG: 4422400 -20.5327 10.2849 20.1229 10.2848 0.0564574 11.0446 20.1229 11.0445 0.181539 GPRESSAVG: 4422400 -18.6357 10.4113 21.5084 8.80037 -0.788693 11.5879 19.4894 9.55902 -1.20428 TIMING: 4422400 CPU: 13984.6, 0.003135/step Wall: 13984.6, 0.003135/step, 0.502993 hours remaining, 238.109375 MB of memory in use. ENERGY: 4422400 4073.4039 20702.6416 14515.5718 250.9804 -203360.8725 2503.4550 0.0000 0.0000 52079.0102 -109235.8096 299.2988 -161314.8197 -108883.5537 299.4967 3.8116 23.5481 761364.3678 -6.7649 -6.8762 PRESSURE: 4422600 -336.637 169.168 6.36825 169.168 -165.478 -86.7419 6.36828 -86.7418 61.0434 GPRESSURE: 4422600 -232.711 177.718 -39.1496 154.524 -203.435 -131.658 -43.4086 -59.5411 93.426 PRESSAVG: 4422600 61.9909 -40.2572 -2.57089 -40.2572 -32.9609 50.8707 -2.57092 50.8707 4.96061 GPRESSAVG: 4422600 62.2292 -40.9763 -3.33898 -39.5348 -32.7538 50.9139 -3.15322 49.5019 5.04437 TIMING: 4422600 CPU: 13985.2, 0.00312072/step Wall: 13985.2, 0.00312072/step, 0.500529 hours remaining, 238.109375 MB of memory in use. ENERGY: 4422600 4125.8078 20443.7361 14473.6657 243.7419 -203121.3581 2287.8542 0.0000 0.0000 52162.7003 -109383.8521 299.7798 -161546.5524 -109033.9646 299.5828 -147.0239 -114.2400 760825.8676 11.3302 11.5066 PRESSURE: 4422800 191.89 -78.7515 209.387 -78.7512 -220.642 -55.9561 209.387 -55.9577 15.3563 GPRESSURE: 4422800 279.865 -163.438 141.902 -53.2172 -119.588 -0.222563 206.881 -18.7252 -81.2941 PRESSAVG: 4422800 20.2069 -17.7375 -49.7955 -17.7375 -29.2358 26.2052 -49.7955 26.2052 -5.86629 GPRESSAVG: 4422800 19.6945 -16.9873 -48.8191 -18.0589 -28.9192 28.1885 -50.8399 25.9261 -6.18021 TIMING: 4422800 CPU: 13985.9, 0.0031538/step Wall: 13985.9, 0.0031538/step, 0.505659 hours remaining, 238.109375 MB of memory in use. ENERGY: 4422800 4020.3676 20436.2988 14512.0002 245.7081 -203429.7966 2655.7847 0.0000 0.0000 51858.3688 -109701.2684 298.0308 -161559.6372 -109338.5752 298.4900 -4.4652 26.3275 761425.4644 -4.9651 -5.1350 PRESSURE: 4423000 47.6939 58.3795 -47.661 58.3799 -85.3059 -51.4416 -47.6605 -51.4403 -528.421 GPRESSURE: 4423000 -32.7056 142.703 -52.1623 -19.6157 -0.0371943 -0.283553 -42.2286 -128.607 -430.491 PRESSAVG: 4423000 -35.2801 -17.0767 42.2034 -17.0768 -17.9726 58.5602 42.2034 58.5602 2.20983 GPRESSAVG: 4423000 -34.4205 -18.9396 39.3516 -17.3909 -18.4668 56.1215 42.7499 59.6671 1.98387 TIMING: 4423000 CPU: 13986.5, 0.00311909/step Wall: 13986.5, 0.00311909/step, 0.49992 hours remaining, 238.109375 MB of memory in use. ENERGY: 4423000 4041.6785 20475.8237 14504.5311 257.2654 -203588.8614 2528.2699 0.0000 0.0000 51872.2841 -109909.0087 298.1107 -161781.2928 -109557.8080 297.9516 -188.6775 -154.4114 759831.4279 -17.0143 -16.9678 PRESSURE: 4423200 81.0382 -171.266 40.5781 -171.266 31.0791 119.474 40.5781 119.473 286.133 GPRESSURE: 4423200 25.9172 -121.604 48.9608 -50.7421 51.7958 96.5197 5.00319 94.1743 402.712 PRESSAVG: 4423200 -36.9138 22.9956 -85.8807 22.9956 33.3996 28.122 -85.8806 28.122 2.97741 GPRESSAVG: 4423200 -38.4093 23.8242 -84.9555 24.8021 33.234 28.3753 -85.6467 30.2191 4.88 TIMING: 4423200 CPU: 13987.1, 0.00313172/step Wall: 13987.1, 0.00313171/step, 0.50177 hours remaining, 238.109375 MB of memory in use. ENERGY: 4423200 3983.7780 20405.1346 14488.7938 249.8234 -203766.1157 2675.8913 0.0000 0.0000 51876.3582 -110086.3363 298.1341 -161962.6945 -109724.4101 298.3001 132.7500 160.1418 760331.4279 -0.1789 -0.0984 PRESSURE: 4423400 153.398 4.06829 -184.622 4.06778 167.01 -134.376 -184.622 -134.376 297.43 GPRESSURE: 4423400 85.1453 39.9843 -192.158 -48.0139 283.575 -186.975 -174.365 -136.955 334.692 PRESSAVG: 4423400 15.5336 51.6488 -4.39548 51.6489 8.73978 42.454 -4.39544 42.454 -0.279963 GPRESSAVG: 4423400 16.2405 52.1063 -3.01178 50.5614 8.97415 42.1663 -3.31379 40.9346 -1.04897 TIMING: 4423400 CPU: 13987.7, 0.00315061/step Wall: 13987.7, 0.00315061/step, 0.504623 hours remaining, 238.109375 MB of memory in use. ENERGY: 4423400 4006.5197 20438.2812 14468.1962 248.1793 -203750.4568 2604.3600 0.0000 0.0000 52160.7247 -109824.1957 299.7684 -161984.9204 -109469.4133 298.2386 205.9461 234.4707 760386.2519 7.9978 8.0552 PRESSURE: 4423600 -423.86 21.2015 -55.3908 21.2007 -187.053 22.5066 -55.3913 22.5068 -43.0327 GPRESSURE: 4423600 -339.438 178.654 -21.393 14.5169 -226.256 13.8303 -44.8097 -36.5574 -27.1446 PRESSAVG: 4423600 -31.0158 -62.796 12.3873 -62.796 10.9979 -18.3222 12.3874 -18.3222 27.1314 GPRESSAVG: 4423600 -31.4475 -62.9301 12.8418 -62.6062 11.1955 -17.8901 11.6861 -18.5529 27.5932 TIMING: 4423600 CPU: 13988.4, 0.00314478/step Wall: 13988.4, 0.00314478/step, 0.503514 hours remaining, 238.121094 MB of memory in use. ENERGY: 4423600 3917.3327 20532.6226 14511.5742 252.9909 -203246.0866 2384.9456 0.0000 0.0000 51759.9346 -109886.6859 297.4651 -161646.6205 -109526.7272 298.2271 -217.9818 -197.6129 762629.2051 2.3712 2.4471 PRESSURE: 4423800 -457.144 -103.039 184.338 -103.039 -430.555 41.4924 184.339 41.4916 -268.976 GPRESSURE: 4423800 -434.61 -83.4935 204.024 -164.626 -459.563 31.3168 -21.3941 15.4369 -166.786 PRESSAVG: 4423800 -36.3519 -29.5609 -8.65004 -29.5609 13.5461 66.8865 -8.6501 66.8866 19.3393 GPRESSAVG: 4423800 -36.1003 -29.7311 -9.0494 -30.1736 12.6289 67.607 -10.3124 67.3808 20.0737 TIMING: 4423800 CPU: 13989, 0.0031308/step Wall: 13989, 0.0031308/step, 0.501101 hours remaining, 238.121094 MB of memory in use. ENERGY: 4423800 3868.1921 20445.4293 14493.9784 250.9378 -203248.3287 2369.9162 0.0000 0.0000 51946.6868 -109873.1882 298.5383 -161819.8750 -109500.7161 297.7942 -385.5584 -353.6532 762719.0932 -1.1555 -1.1325 PRESSURE: 4424000 202.766 -175.848 -127.428 -175.847 -111.587 138.605 -127.429 138.606 37.0107 GPRESSURE: 4424000 224.764 -92.509 -152.258 -232.955 -14.1461 64.0296 -109.008 -3.39378 25.9777 PRESSAVG: 4424000 -3.97366 -59.2827 -13.8734 -59.2827 8.22657 15.1426 -13.8733 15.1426 -25.1396 GPRESSAVG: 4424000 -4.1791 -59.659 -13.5968 -60.141 8.82968 15.3948 -14.0295 12.1131 -25.6394 TIMING: 4424000 CPU: 13989.6, 0.00312909/step Wall: 13989.6, 0.00312909/step, 0.500654 hours remaining, 238.121094 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: 4424000 3911.2716 20413.9939 14499.2386 278.6867 -203466.0561 2780.4916 0.0000 0.0000 51982.9170 -109599.4566 298.7465 -161582.3737 -109241.8902 298.2072 42.7300 78.8652 763573.7057 -6.9622 -6.9963 PRESSURE: 4424200 27.31 -167.853 -162.623 -167.853 292.651 126.37 -162.623 126.37 68.4185 GPRESSURE: 4424200 126.191 -176.815 -205.464 -269.426 222.864 171.705 -111.495 100.29 118.778 PRESSAVG: 4424200 8.885 -84.7052 -39.0013 -84.7051 -5.51348 24.9941 -39.0013 24.9941 11.5714 GPRESSAVG: 4424200 8.14658 -85.6484 -38.4604 -84.6849 -3.49806 24.7175 -38.2003 27.3361 9.86917 TIMING: 4424200 CPU: 13990.2, 0.00311905/step Wall: 13990.2, 0.00311905/step, 0.498875 hours remaining, 238.121094 MB of memory in use. ENERGY: 4424200 3958.3322 20545.7432 14553.8315 239.1715 -203383.6655 2741.6139 0.0000 0.0000 51813.5151 -109531.4582 297.7730 -161344.9732 -109182.0962 299.0401 129.4599 155.9442 761804.2089 4.9810 4.8392 LDB: ============= START OF LOAD BALANCING ============== 14002.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14002.8 LDB: =============== DONE WITH MIGRATION ================ 14002.8 LDB: ============= START OF LOAD BALANCING ============== 14003.1 LDB: Largest compute 7078 load 0.033939 is 17.4% of average load 0.195533 LDB: Average compute 0.004383 is 2.2% of average load 0.195533 LDB: TIME 14003.1 LOAD: AVG 0.195533 MAX 0.217403 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 14003.1 LOAD: AVG 0.195533 MAX 0.217403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.691 MB LDB: TIME 14003.1 LOAD: AVG 0.195533 MAX 0.217403 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.691 MB LDB: ============== END OF LOAD BALANCING =============== 14003.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14003.1 PRESSURE: 4424400 -606.212 -100.332 -137.11 -100.333 6.8883 102.391 -137.11 102.39 -53.4227 GPRESSURE: 4424400 -530.764 -95.2203 -135.6 -100.646 56.0226 80.1338 -41.5419 106.485 -114.384 PRESSAVG: 4424400 -61.1712 -25.3351 7.46962 -25.3351 20.6429 19.1982 7.46964 19.1983 -6.81748 GPRESSAVG: 4424400 -60.7418 -24.8982 7.05932 -24.5132 19.8811 18.3704 9.72925 18.7207 -7.05393 TIMING: 4424400 CPU: 13990.9, 0.00321277/step Wall: 13990.9, 0.00321277/step, 0.513687 hours remaining, 236.441406 MB of memory in use. ENERGY: 4424400 3975.5602 20573.4066 14436.7237 247.1689 -203056.4394 2355.1670 0.0000 0.0000 51936.7064 -109531.7067 298.4810 -161468.4131 -109168.1279 298.8972 -217.5820 -196.3751 764603.5430 -15.7819 -15.9716 PRESSURE: 4424600 -108.583 -177.76 311.876 -177.76 60.3466 -123.007 311.877 -123.007 47.8918 GPRESSURE: 4424600 -19.2348 -358.226 297.515 -53.7328 71.1856 -52.4454 176.225 -186.517 27.445 PRESSAVG: 4424600 -25.0531 -49.6023 48.7741 -49.6023 35.3992 5.11761 48.774 5.11765 -4.60743 GPRESSAVG: 4424600 -23.7471 -50.8705 48.988 -49.6356 34.4106 6.22978 45.9893 5.87262 -4.70971 TIMING: 4424600 CPU: 13991.5, 0.00313993/step Wall: 13991.5, 0.00313993/step, 0.501865 hours remaining, 236.441406 MB of memory in use. ENERGY: 4424600 3919.6227 20545.1500 14536.2089 241.9393 -203317.6474 2442.0982 0.0000 0.0000 52052.3036 -109580.3247 299.1453 -161632.6282 -109221.4240 298.5679 -0.1148 26.4653 762381.6422 1.9129 1.9846 PRESSURE: 4424800 -224.371 37.3944 54.9428 37.3952 -231.214 -205.389 54.9432 -205.39 -415.509 GPRESSURE: 4424800 -236.114 77.6439 62.8568 -77.3612 -247.252 -221.037 -31.5851 -196.945 -284.959 PRESSAVG: 4424800 1.36319 -57.3388 -16.913 -57.3388 -13.4112 7.3272 -16.913 7.32715 6.45719 GPRESSAVG: 4424800 -0.266431 -56.0408 -18.6416 -58.2735 -12.5481 8.06801 -16.6935 6.09339 7.31154 TIMING: 4424800 CPU: 13992.1, 0.00312794/step Wall: 13992.1, 0.00312794/step, 0.499775 hours remaining, 236.441406 MB of memory in use. ENERGY: 4424800 4013.7015 20594.9858 14572.8386 252.6083 -202976.1228 2341.7348 0.0000 0.0000 51968.5623 -109231.6916 298.6640 -161200.2538 -108873.8242 299.6647 -290.3648 -256.1084 762093.6650 -1.8636 -1.8343 PRESSURE: 4425000 -51.2065 84.2217 -1.12345 84.2214 98.8606 -126.194 -1.12401 -126.193 64.5206 GPRESSURE: 4425000 -48.3755 -31.8268 24.7435 116.245 179.776 -15.4583 83.2327 -119.319 79.3854 PRESSAVG: 4425000 -66.1397 -43.7556 2.28647 -43.7556 24.5727 49.5633 2.28657 49.5633 8.10093 GPRESSAVG: 4425000 -66.4691 -45.2796 2.85425 -43.2082 24.3726 47.1891 4.11814 51.2998 8.1785 TIMING: 4425000 CPU: 13992.8, 0.0031491/step Wall: 13992.8, 0.0031491/step, 0.50298 hours remaining, 236.441406 MB of memory in use. ENERGY: 4425000 3942.4080 20506.2557 14561.3318 251.9854 -202933.1463 2339.2852 0.0000 0.0000 52261.3887 -109070.4914 300.3469 -161331.8801 -108700.6453 299.9602 37.3916 70.2619 761142.4943 -11.1554 -11.3060 PRESSURE: 4425200 262.903 -29.1279 14.8736 -29.1271 -33.4686 283.902 14.8733 283.901 227.147 GPRESSURE: 4425200 291.642 25.9521 -94.0747 -139.196 101.756 284.228 98.889 114.023 138.245 PRESSAVG: 4425200 23.4734 -44.4655 -6.77411 -44.4655 25.4572 -2.84192 -6.77411 -2.84186 28.9925 GPRESSAVG: 4425200 24.8248 -42.8174 -5.39292 -46.2231 26.4258 -3.04416 -8.20413 -2.97576 26.9333 TIMING: 4425200 CPU: 13993.4, 0.00314422/step Wall: 13993.4, 0.00314422/step, 0.502026 hours remaining, 236.441406 MB of memory in use. ENERGY: 4425200 3958.4472 20586.9638 14523.8701 246.4211 -203537.9423 2647.1751 0.0000 0.0000 52214.2378 -109360.8272 300.0759 -161575.0649 -108992.7840 299.9204 152.1937 177.2143 761629.8233 25.9744 26.0613 PRESSURE: 4425400 -213.575 -87.1073 -241.789 -87.1079 233.164 242.439 -241.788 242.439 265.936 GPRESSURE: 4425400 -160.072 -12.9494 -198.358 -103.964 245.035 157.926 -345.144 157.344 295.599 PRESSAVG: 4425400 -41.4882 -50.1031 -28.2989 -50.1032 14.4141 -4.56151 -28.299 -4.56155 -8.70777 GPRESSAVG: 4425400 -42.4983 -50.2445 -30.3486 -49.1061 13.7938 -4.11321 -27.4406 -5.39975 -6.71925 TIMING: 4425400 CPU: 13994, 0.00315761/step Wall: 13994, 0.00315761/step, 0.50399 hours remaining, 236.441406 MB of memory in use. ENERGY: 4425400 4078.9080 20636.3355 14513.5147 227.5867 -203701.0209 2741.3359 0.0000 0.0000 51978.9645 -109524.3755 298.7238 -161503.3400 -109177.6620 299.4991 95.1751 126.8538 761758.7441 -11.9273 -11.8079 PRESSURE: 4425600 -14.4165 154.074 43.8899 154.074 -250.127 -165.317 43.8897 -165.317 182.566 GPRESSURE: 4425600 113.593 165.053 156.742 147.995 -250.797 -223.866 -92.2454 -147.993 126.125 PRESSAVG: 4425600 53.8972 -32.7109 -33.1561 -32.7109 -41.6949 4.69522 -33.1562 4.69518 9.93045 GPRESSAVG: 4425600 53.3505 -32.5401 -31.7461 -31.8929 -42.5677 4.74337 -35.7736 4.36948 10.8895 TIMING: 4425600 CPU: 13994.7, 0.00315868/step Wall: 13994.7, 0.00315868/step, 0.503985 hours remaining, 236.441406 MB of memory in use. ENERGY: 4425600 4023.1212 20505.3600 14506.8883 265.4715 -203675.0883 2882.3539 0.0000 0.0000 52003.6724 -109488.2210 298.8658 -161491.8933 -109117.9448 299.2028 -27.3258 -3.6928 762534.2045 7.3776 7.2241 PRESSURE: 4425800 77.6216 -17.3943 196.656 -17.3954 -159.354 20.8775 196.656 20.8758 -81.6808 GPRESSURE: 4425800 87.695 27.5734 153.12 -71.5381 -145.322 -21.2008 207.504 36.6172 -34.6785 PRESSAVG: 4425800 9.66971 5.26865 -54.4204 5.26867 -26.655 -44.223 -54.4204 -44.2231 13.396 GPRESSAVG: 4425800 8.81614 6.21071 -54.8381 4.03003 -25.1384 -45.2882 -53.0021 -43.7565 12.8119 TIMING: 4425800 CPU: 13995.3, 0.00315694/step Wall: 13995.3, 0.00315695/step, 0.503533 hours remaining, 236.441406 MB of memory in use. ENERGY: 4425800 4003.1321 20742.1473 14461.2144 245.4838 -203256.3320 2538.8006 0.0000 0.0000 51741.8709 -109523.6829 297.3612 -161265.5538 -109165.5807 299.4766 -54.4709 -30.7684 763365.9602 -1.1965 -1.1701 PRESSURE: 4426000 -385.74 -119.944 -159.978 -119.945 -268.978 3.03731 -159.977 3.03811 212.09 GPRESSURE: 4426000 -313.874 12.7913 -101.978 -103.643 -247.597 -69.9825 -129.519 -15.4875 191.817 PRESSAVG: 4426000 45.0912 -39.9825 -44.6736 -39.9825 -35.75 26.4665 -44.6736 26.4665 18.4599 GPRESSAVG: 4426000 46.1612 -38.7085 -42.9854 -39.2053 -36.624 26.3454 -45.9057 27.595 18.5275 TIMING: 4426000 CPU: 13995.9, 0.00311073/step Wall: 13995.9, 0.00311073/step, 0.495988 hours remaining, 236.441406 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: 4426000 4016.4652 20585.1762 14497.7152 246.8588 -203061.0686 2301.6819 0.0000 0.0000 51999.1656 -109414.0058 298.8399 -161413.1715 -109057.7530 298.9295 -147.5430 -123.2179 763486.9308 9.2671 9.3549 PRESSURE: 4426200 -250.161 50.4514 286.346 50.4516 -501.031 26.1597 286.346 26.1595 175.549 GPRESSURE: 4426200 -346.402 10.1231 229.979 -64.0623 -336.048 -86.1769 206.523 -49.2306 175.268 PRESSAVG: 4426200 52.0898 -44.5052 -29.3937 -44.5052 -35.5181 -1.24871 -29.3937 -1.2488 3.65065 GPRESSAVG: 4426200 51.0772 -45.203 -29.0701 -46.721 -34.2504 1.16779 -30.7797 -4.41173 3.57585 TIMING: 4426200 CPU: 13996.5, 0.00313249/step Wall: 13996.5, 0.00313249/step, 0.499284 hours remaining, 236.441406 MB of memory in use. ENERGY: 4426200 3931.7120 20778.2976 14475.0903 252.9845 -203264.5075 2525.9641 0.0000 0.0000 52116.7316 -109183.7275 299.5156 -161300.4591 -108818.7857 299.9564 -191.8810 -169.0604 761907.7171 6.7408 6.8009 PRESSURE: 4426400 449.418 -63.7238 -126.961 -63.7235 332.295 105.544 -126.96 105.544 138.12 GPRESSURE: 4426400 507.959 -2.53859 -195.177 -83.9373 330.888 106.695 -39.296 -57.6055 185.359 PRESSAVG: 4426400 33.4125 -38.7181 -19.1818 -38.718 -66.783 -11.5485 -19.1818 -11.5486 -0.554791 GPRESSAVG: 4426400 34.7375 -43.1134 -21.1369 -34.0396 -67.096 -15.2926 -14.9354 -7.58082 -0.849432 TIMING: 4426400 CPU: 13997.2, 0.00311826/step Wall: 13997.2, 0.00311826/step, 0.496843 hours remaining, 236.441406 MB of memory in use. ENERGY: 4426400 3959.7977 20516.5259 14562.4705 252.0756 -203697.5555 2834.4916 0.0000 0.0000 52315.2640 -109256.9303 300.6565 -161572.1943 -108893.0546 300.0478 306.6112 341.4021 761026.2181 -11.3084 -11.0693 PRESSURE: 4426600 -126.611 -112.855 -27.6806 -112.856 -82.9452 -265.649 -27.6791 -265.649 561.974 GPRESSURE: 4426600 -129.681 -124.487 -94.178 -11.246 -3.33972 -224.879 -48.8178 -133.586 560.009 PRESSAVG: 4426600 43.2729 -91.6316 -62.4161 -91.6317 -33.9434 12.5635 -62.4161 12.5636 4.991 GPRESSAVG: 4426600 43.1118 -89.3245 -62.0409 -95.416 -34.2672 15.3915 -63.3967 9.95005 5.09731 TIMING: 4426600 CPU: 13997.8, 0.00314492/step Wall: 13997.8, 0.00314492/step, 0.500915 hours remaining, 236.441406 MB of memory in use. ENERGY: 4426600 3985.8538 20583.2237 14463.9739 242.4475 -203291.6763 2571.3616 0.0000 0.0000 52178.4852 -109266.3308 299.8705 -161444.8160 -108905.3280 299.4682 117.4728 142.3295 761944.2526 4.7735 4.6473 PRESSURE: 4426800 146.352 -54.4886 -349.942 -54.4886 45.679 85.3411 -349.942 85.3415 -62.4533 GPRESSURE: 4426800 82.5964 -77.131 -290.919 -6.75909 201.498 -30 -229.194 87.9131 -73.6227 PRESSAVG: 4426800 11.5613 -38.5061 -9.59477 -38.5061 -15.2924 -1.23857 -9.5947 -1.23851 -12.2139 GPRESSAVG: 4426800 11.0723 -35.4686 -9.07834 -37.7871 -14.6065 -1.81016 -10.0357 -0.329026 -12.792 TIMING: 4426800 CPU: 13998.4, 0.00313239/step Wall: 13998.4, 0.00313239/step, 0.498745 hours remaining, 236.441406 MB of memory in use. ENERGY: 4426800 3944.0131 20576.1906 14472.9938 238.4466 -203418.8182 2536.4809 0.0000 0.0000 52052.0995 -109598.5937 299.1441 -161650.6932 -109225.3589 299.5583 43.1925 70.1571 761106.5767 -5.3150 -5.4421 PRESSURE: 4427000 115.771 48.2877 20.8126 48.2895 222.942 30.7005 20.813 30.7011 -243.414 GPRESSURE: 4427000 138.595 -18.9975 3.55621 -53.6401 199.584 -24.9215 -51.4549 192.773 -162.208 PRESSAVG: 4427000 12.7953 4.98114 -40.7669 4.9812 28.4293 -13.4406 -40.7668 -13.4406 3.64184 GPRESSAVG: 4427000 12.6096 -0.0746268 -38.9384 3.83627 27.6108 -13.8008 -43.1272 -14.1343 4.57755 TIMING: 4427000 CPU: 13999, 0.00313456/step Wall: 13999, 0.00313456/step, 0.498918 hours remaining, 236.441406 MB of memory in use. ENERGY: 4427000 4045.1226 20496.2012 14522.3021 237.5917 -203367.2215 2720.6290 0.0000 0.0000 51985.4542 -109359.9206 298.7611 -161345.3748 -108988.7515 298.9859 31.7664 58.6570 762368.4447 14.9555 14.9327 PRESSURE: 4427200 236.601 -7.02762 44.0308 -7.02722 224.719 -115.215 44.0303 -115.215 -23.8869 GPRESSURE: 4427200 276.29 -49.3928 77.7512 96.9722 196.381 -125.323 -14.596 -198.659 56.8409 PRESSAVG: 4427200 32.4181 -25.0976 -62.9509 -25.0976 -18.3897 12.1698 -62.9509 12.1699 3.04858 GPRESSAVG: 4427200 31.7679 -21.5191 -65.5296 -23.2531 -17.9287 12.9198 -62.8081 13.7738 3.47793 TIMING: 4427200 CPU: 13999.7, 0.00313226/step Wall: 13999.7, 0.00313226/step, 0.498378 hours remaining, 236.441406 MB of memory in use. ENERGY: 4427200 3909.4245 20715.7150 14490.9270 256.6040 -203915.8645 2931.4966 0.0000 0.0000 52096.9487 -109514.7488 299.4019 -161611.6974 -109146.6665 298.9928 145.8111 176.5040 762391.6089 5.6923 5.7724 PRESSURE: 4427400 -98.066 140.558 -366.002 140.558 -130.032 367.41 -366.001 367.409 150.109 GPRESSURE: 4427400 22.3796 125.645 -367.798 136.982 -88.038 354.42 -108.476 343.92 75.8038 PRESSAVG: 4427400 -50.3659 12.1298 -50.5306 12.1298 35.5894 -14.7226 -50.5306 -14.7226 20.6704 GPRESSAVG: 4427400 -48.668 9.20626 -51.8448 11.0747 35.8588 -15.3587 -47.1948 -14.5412 19.0128 TIMING: 4427400 CPU: 14000.3, 0.00314211/step Wall: 14000.3, 0.00314211/step, 0.499769 hours remaining, 236.441406 MB of memory in use. ENERGY: 4427400 4096.8523 20558.4009 14578.5770 259.1769 -203773.3868 2686.0917 0.0000 0.0000 52162.8764 -109431.4115 299.7808 -161594.2879 -109068.7443 299.1301 -25.9963 3.3818 760852.6771 1.9646 2.0679 PRESSURE: 4427600 66.3769 82.9875 32.9427 82.9866 162.462 243.931 32.9431 243.932 -208.462 GPRESSURE: 4427600 183.232 90.8669 22.7487 230.792 175.765 291.747 -29.0728 259.984 -270.501 PRESSAVG: 4427600 29.0642 -24.8551 -49.282 -24.8551 4.21782 46.0041 -49.2819 46.0041 -14.9713 GPRESSAVG: 4427600 29.4735 -21.6274 -47.052 -24.6529 4.00087 46.6715 -50.5818 44.6615 -15.1534 TIMING: 4427600 CPU: 14000.9, 0.0031543/step Wall: 14000.9, 0.0031543/step, 0.501534 hours remaining, 236.441406 MB of memory in use. ENERGY: 4427600 3979.8023 20586.7385 14502.5805 226.2529 -203800.8993 2818.3217 0.0000 0.0000 52097.3018 -109589.9015 299.4039 -161687.2034 -109217.2158 299.1626 6.7922 29.4988 761004.6380 6.1036 6.1070 PRESSURE: 4427800 -45.3295 -234.406 -35.7829 -234.407 187.201 36.133 -35.7832 36.1331 187.503 GPRESSURE: 4427800 -29.824 -213.717 -80.7251 -274.352 188.104 -31.1464 -177.465 147.168 259.129 PRESSAVG: 4427800 1.53917 -37.2617 -43.1147 -37.2617 -7.34074 7.69857 -43.1147 7.69858 -3.42802 GPRESSAVG: 4427800 0.60246 -38.4954 -44.4531 -36.1 -8.27442 6.9586 -44.4858 8.22735 -1.90513 TIMING: 4427800 CPU: 14001.6, 0.00316149/step Wall: 14001.6, 0.00316149/step, 0.502502 hours remaining, 236.441406 MB of memory in use. ENERGY: 4427800 4034.9888 20427.3285 14581.6117 250.8766 -204104.4973 3111.3379 0.0000 0.0000 51928.2238 -109770.1301 298.4322 -161698.3539 -109415.7116 298.1744 109.7916 139.1361 760371.4603 -3.0765 -3.1924 PRESSURE: 4428000 149.914 134.088 100.968 134.088 -105.025 -101.348 100.968 -101.348 28.2474 GPRESSURE: 4428000 236.31 141.566 67.7329 68.7045 -90.4005 -115.261 23.3462 -106.633 20.5666 PRESSAVG: 4428000 -10.4313 -60.7237 -56.5462 -60.7237 9.73909 0.398934 -56.5462 0.3989 -14.9838 GPRESSAVG: 4428000 -11.7914 -60.3466 -54.7181 -62.0213 10.9456 0.677805 -58.1398 0.451363 -15.2198 TIMING: 4428000 CPU: 14002.2, 0.00314524/step Wall: 14002.2, 0.00314524/step, 0.499744 hours remaining, 236.441406 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: 4428000 3918.3741 20392.3559 14501.8213 239.4547 -202975.8928 2413.1327 0.0000 0.0000 51926.5201 -109584.2341 298.4224 -161510.7542 -109213.7515 298.7898 24.3787 55.4921 761117.2160 -5.2253 -5.3552 PRESSURE: 4428200 -319.327 -58.8188 -147.966 -58.8193 -174.455 -114.584 -147.967 -114.585 34.8785 GPRESSURE: 4428200 -343.975 -82.0372 -124.477 -99.1751 -48.3217 -136.352 -137.564 -86.973 24.2448 PRESSAVG: 4428200 18.6345 -40.6817 -38.0844 -40.6817 41.0136 -16.8019 -38.0843 -16.802 5.10801 GPRESSAVG: 4428200 19.6188 -42.1679 -38.4493 -40.5675 40.3127 -16.3754 -36.3895 -18.1373 4.68112 TIMING: 4428200 CPU: 14002.8, 0.00312644/step Wall: 14002.8, 0.00312644/step, 0.496583 hours remaining, 236.441406 MB of memory in use. ENERGY: 4428200 4036.5945 20678.9441 14558.2428 262.7679 -203242.0196 2452.3900 0.0000 0.0000 51959.5197 -109293.5607 298.6121 -161253.0804 -108941.8895 299.2967 -152.9679 -122.6838 760723.1128 21.5854 21.5376 LDB: ============= START OF LOAD BALANCING ============== 14015.4 LDB: ============== END OF LOAD BALANCING =============== 14015.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14015.4 LDB: ============= START OF LOAD BALANCING ============== 14015.7 LDB: Largest compute 7078 load 0.034060 is 17.4% of average load 0.195605 LDB: Average compute 0.004399 is 2.2% of average load 0.195605 LDB: TIME 14015.7 LOAD: AVG 0.195605 MAX 0.213505 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.082 MB LDB: TIME 14015.7 LOAD: AVG 0.195605 MAX 0.213505 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.086 MB LDB: TIME 14015.7 LOAD: AVG 0.195605 MAX 0.213505 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.086 MB LDB: ============== END OF LOAD BALANCING =============== 14015.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14015.7 PRESSURE: 4428400 -511.515 75.5607 47.0771 75.5611 151.365 -57.3764 47.0779 -57.3765 55.7685 GPRESSURE: 4428400 -360.083 50.982 -60.0566 48.7551 71.0218 -116.359 113.348 -98.7785 71.7329 PRESSAVG: 4428400 15.3561 -61.7115 10.3692 -61.7115 56.8056 -53.7632 10.3692 -53.7632 15.0917 GPRESSAVG: 4428400 14.351 -60.6665 8.90383 -63.7635 58.2853 -55.0594 10.5872 -50.6542 14.2002 TIMING: 4428400 CPU: 14003.5, 0.00319978/step Wall: 14003.5, 0.00319978/step, 0.508053 hours remaining, 236.128906 MB of memory in use. ENERGY: 4428400 4004.0842 20457.1938 14454.6872 242.8597 -203310.8993 2520.9855 0.0000 0.0000 52405.9178 -109225.1711 301.1775 -161631.0889 -108860.9788 299.8496 -101.4606 -72.4426 761475.3365 29.0845 28.9455 PRESSURE: 4428600 -65.1601 27.4282 -136.406 27.4285 -52.3598 -9.45565 -136.405 -9.45579 -385.885 GPRESSURE: 4428600 20.8775 -76.9703 -131.029 -10.6441 -7.14606 -14.6031 -67.1669 -214.255 -421.138 PRESSAVG: 4428600 -32.8738 -56.2861 -13.7877 -56.2862 6.5305 -1.18115 -13.7877 -1.18117 28.907 GPRESSAVG: 4428600 -30.9191 -55.9341 -12.3927 -55.4971 5.26747 0.56062 -13.4583 -1.89651 28.0974 TIMING: 4428600 CPU: 14004.1, 0.00313411/step Wall: 14004.1, 0.00313411/step, 0.497452 hours remaining, 236.332031 MB of memory in use. ENERGY: 4428600 3997.3491 20478.1463 14502.0644 243.8471 -203326.8792 2640.3917 0.0000 0.0000 52019.8097 -109445.2709 298.9586 -161465.0807 -109077.2081 299.2729 -167.8018 -135.8022 761118.3399 0.8546 0.8153 PRESSURE: 4428800 -311.819 -196.026 95.9631 -196.026 405.521 -138.533 95.9629 -138.533 -326.228 GPRESSURE: 4428800 -217.936 -216.921 126.766 -82.4105 331.967 -65.8082 147.43 -110.35 -255.281 PRESSAVG: 4428800 -29.5705 -12.7481 -47.3933 -12.7481 32.8012 -18.8147 -47.3933 -18.8148 -20.9569 GPRESSAVG: 4428800 -30.7752 -13.5612 -48.9617 -10.6889 33.2737 -19.4173 -51.3313 -20.5688 -20.0803 TIMING: 4428800 CPU: 14004.7, 0.0031285/step Wall: 14004.7, 0.0031285/step, 0.496389 hours remaining, 236.589844 MB of memory in use. ENERGY: 4428800 3880.4062 20769.0158 14438.4280 237.7859 -203207.4385 2605.1448 0.0000 0.0000 51885.9718 -109390.6861 298.1894 -161276.6579 -109033.9091 299.1936 -77.5085 -47.0832 762202.2307 -5.9087 -5.8606 PRESSURE: 4429000 -15.1336 -16.1337 56.9052 -16.1334 -306.513 26.0321 56.9051 26.0321 345.367 GPRESSURE: 4429000 -33.8671 101.266 35.283 91.2935 -157.656 23.0614 -28.7652 8.48898 284.72 PRESSAVG: 4429000 -28.8948 -63.6631 -2.15474 -63.6631 19.7025 -8.49715 -2.15473 -8.49719 -8.40721 GPRESSAVG: 4429000 -29.7128 -60.9432 -1.27053 -65.3861 19.8951 -7.89592 -0.786779 -6.0538 -7.79638 TIMING: 4429000 CPU: 14005.3, 0.00311848/step Wall: 14005.3, 0.00311848/step, 0.494625 hours remaining, 236.589844 MB of memory in use. ENERGY: 4429000 3949.3304 20728.6991 14441.8633 258.4047 -203663.3968 2701.9301 0.0000 0.0000 52284.4627 -109298.7063 300.4795 -161583.1691 -108924.4883 299.5807 7.9068 31.0659 761512.3963 -5.8665 -5.8713 PRESSURE: 4429200 -140.998 -32.7935 20.0381 -32.7932 96.1991 194.322 20.0376 194.321 93.5503 GPRESSURE: 4429200 -73.9867 -94.1356 -69.6726 -72.6913 160.329 151.991 18.3945 229.749 58.0492 PRESSAVG: 4429200 39.8163 18.3016 -16.4153 18.3015 -11.555 44.8791 -16.4153 44.8791 -14.6706 GPRESSAVG: 4429200 40.03 16.3141 -15.8376 19.2749 -12.2755 45.6652 -17.3742 42.8165 -14.7162 TIMING: 4429200 CPU: 14006, 0.00315523/step Wall: 14006, 0.00315523/step, 0.500279 hours remaining, 236.589844 MB of memory in use. ENERGY: 4429200 3935.2685 20540.1865 14497.4334 232.1284 -203246.0664 2709.8662 0.0000 0.0000 52156.9796 -109174.2038 299.7469 -161331.1834 -108799.2865 299.9272 16.2504 48.1305 761686.0246 4.5302 4.3461 PRESSURE: 4429400 422.207 -129.259 -91.0191 -129.258 12.9529 185.65 -91.0183 185.651 240.585 GPRESSURE: 4429400 408.892 -148.673 -21.5531 -25.7545 141.52 172.657 90.1704 217.057 214.174 PRESSAVG: 4429400 10.3398 18.6478 -26.6156 18.6478 9.13708 22.6295 -26.6156 22.6294 29.7868 GPRESSAVG: 4429400 11.1983 19.597 -27.9555 18.0804 9.47164 22.4169 -24.7927 23.4786 28.5601 TIMING: 4429400 CPU: 14006.6, 0.00314409/step Wall: 14006.6, 0.00314409/step, 0.498339 hours remaining, 236.589844 MB of memory in use. ENERGY: 4429400 3993.6552 20551.5140 14523.9935 266.1397 -203307.8027 2648.3893 0.0000 0.0000 52385.4618 -108938.6492 301.0600 -161324.1110 -108573.5690 300.2670 225.2482 254.8618 761878.9445 16.4212 16.4100 PRESSURE: 4429600 -177.136 -130.395 -45.7902 -130.397 -163.159 128.064 -45.7908 128.064 -272.519 GPRESSURE: 4429600 -56.4007 -90.9923 -167.945 -108.685 -187.687 229.299 20.5083 245.976 -273.525 PRESSAVG: 4429600 37.2032 -48.2967 -26.6693 -48.2967 -35.1524 57.3034 -26.6693 57.3033 7.31149 GPRESSAVG: 4429600 36.9457 -48.4668 -25.671 -49.6489 -35.3554 57.9118 -27.6698 57.0913 7.83205 TIMING: 4429600 CPU: 14007.2, 0.00314056/step Wall: 14007.2, 0.00314056/step, 0.497605 hours remaining, 236.589844 MB of memory in use. ENERGY: 4429600 3999.2216 20586.1698 14572.0331 251.1459 -203605.5402 2724.2709 0.0000 0.0000 52510.2882 -108962.4107 301.7773 -161472.6989 -108603.1542 300.6213 -204.2713 -172.5376 760823.0048 3.1208 3.1408 PRESSURE: 4429800 -135.784 7.85278 21.6751 7.85348 -315.594 117.103 21.6755 117.103 52.2072 GPRESSURE: 4429800 -124.309 36.0953 37.3369 4.83366 -254.767 42.8728 -160.427 70.0319 77.9674 PRESSAVG: 4429800 91.8438 -44.5967 -46.9372 -44.5965 -16.3627 33.1677 -46.9371 33.1678 4.8266 GPRESSAVG: 4429800 90.1271 -46.1535 -49.395 -42.121 -15.4292 32.375 -44.8544 33.4372 5.88657 TIMING: 4429800 CPU: 14007.9, 0.00314911/step Wall: 14007.9, 0.00314911/step, 0.498784 hours remaining, 236.589844 MB of memory in use. ENERGY: 4429800 3943.5270 20559.0465 14557.1757 247.4111 -202760.8932 2390.3428 0.0000 0.0000 52331.8220 -108731.5682 300.7517 -161063.3902 -108363.9173 300.8962 -133.0570 -100.3695 762325.5719 26.7693 26.8615 PRESSURE: 4430000 -236.06 -56.0459 -485.364 -56.0471 -159.729 -36.4475 -485.364 -36.4475 -168.415 GPRESSURE: 4430000 -235.201 -18.6884 -467.582 -146.321 -142.771 -124.353 -364.674 98.7102 -83.4903 PRESSAVG: 4430000 18.8589 -24.5362 -111.549 -24.5361 -69.2054 16.9234 -111.549 16.9235 -23.6953 GPRESSAVG: 4430000 19.1093 -22.6292 -110.196 -25.5129 -69.2912 17.2286 -112.13 15.9954 -24.015 TIMING: 4430000 CPU: 14008.5, 0.00315234/step Wall: 14008.5, 0.00315234/step, 0.499121 hours remaining, 236.589844 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: 4430000 3991.7631 20631.3214 14467.6046 258.1893 -202611.4418 2292.8565 0.0000 0.0000 52088.5049 -108881.2019 299.3534 -160969.7068 -108517.6754 300.8478 -188.0680 -153.8208 761755.1462 -24.6806 -24.7323 PRESSURE: 4430200 -395.814 11.7309 88.7887 11.7295 -20.1281 -210.604 88.7893 -210.603 -61.5034 GPRESSURE: 4430200 -252.547 18.438 96.2584 79.7517 63.0315 -217.4 9.40284 -99.9764 -193.097 PRESSAVG: 4430200 -19.1904 -69.0866 -25.775 -69.0867 29.3584 -23.6327 -25.775 -23.6328 22.4472 GPRESSAVG: 4430200 -18.1096 -70.8711 -24.6818 -68.7903 29.2767 -24.9594 -26.2255 -22.0165 21.1764 TIMING: 4430200 CPU: 14009.1, 0.00314559/step Wall: 14009.1, 0.00314559/step, 0.497878 hours remaining, 236.589844 MB of memory in use. ENERGY: 4430200 3984.1710 20631.3869 14470.0140 241.3092 -203142.4827 2252.1602 0.0000 0.0000 52588.0962 -108975.3453 302.2245 -161563.4414 -108607.6001 300.6877 -159.1484 -127.5374 761381.5804 10.8717 10.7812 PRESSURE: 4430400 -123.004 -21.596 99.3944 -21.5958 -428.522 74.8553 99.3957 74.8545 -53.3364 GPRESSURE: 4430400 -148.778 -19.9497 227.73 -102.057 -311.133 118.367 33.528 -23.3023 -53.5323 PRESSAVG: 4430400 -18.2222 -25.4755 -15.9937 -25.4754 2.85951 0.536477 -15.9938 0.536518 8.03526 GPRESSAVG: 4430400 -18.2516 -23.5956 -14.405 -25.4486 1.95639 0.955593 -16.2716 0.373 8.95628 TIMING: 4430400 CPU: 14009.7, 0.00312679/step Wall: 14009.7, 0.00312679/step, 0.494727 hours remaining, 236.589844 MB of memory in use. ENERGY: 4430400 4062.8189 20555.9537 14498.0376 244.2299 -202960.2326 2364.0736 0.0000 0.0000 52061.8869 -109173.2319 299.2004 -161235.1188 -108810.0281 300.3595 -201.6207 -171.1478 761243.6251 -2.4425 -2.4463 PRESSURE: 4430600 -469.282 37.8439 -178.952 37.8445 149.8 -146.564 -178.952 -146.563 -216.502 GPRESSURE: 4430600 -343.181 92.3685 -183.643 112.555 67.6599 -175.413 -164.083 -118.857 -169.894 PRESSAVG: 4430600 3.09735 20.5853 -59.445 20.5854 22.1848 1.42032 -59.4451 1.42027 -6.30152 GPRESSAVG: 4430600 2.74964 18.0557 -61.5704 19.841 22.739 1.34315 -59.9654 -0.269213 -6.51929 TIMING: 4430600 CPU: 14010.4, 0.00313756/step Wall: 14010.4, 0.00313756/step, 0.496257 hours remaining, 236.589844 MB of memory in use. ENERGY: 4430600 4061.2488 20675.5303 14465.8570 271.9100 -203147.6764 2439.4516 0.0000 0.0000 52039.9262 -109193.7525 299.0742 -161233.6787 -108820.0091 299.8912 -178.6615 -148.4716 761627.5722 6.3269 6.3231 PRESSURE: 4430800 -283.473 -187.41 -89.0259 -187.41 66.8321 -84.075 -89.0255 -84.0758 254.937 GPRESSURE: 4430800 -218.653 -83.1452 -82.3979 -193.258 114.828 -70.402 -75.6149 -113.424 230.181 PRESSAVG: 4430800 -3.10495 -22.9105 -11.1684 -22.9105 -5.04534 -0.330698 -11.1684 -0.330791 -7.93885 GPRESSAVG: 4430800 -4.5328 -21.0488 -9.42953 -21.8254 -4.63616 1.62443 -11.1112 1.34902 -6.88498 TIMING: 4430800 CPU: 14011, 0.00315032/step Wall: 14011, 0.00315032/step, 0.498101 hours remaining, 236.589844 MB of memory in use. ENERGY: 4430800 4017.4455 20473.0754 14396.1511 222.0303 -203048.2315 2481.6807 0.0000 0.0000 52288.7585 -109169.0899 300.5042 -161457.8484 -108792.2462 299.6306 12.7654 42.1187 760940.9839 -5.3630 -5.3513 PRESSURE: 4431000 -162.594 124.437 33.798 124.437 -334.103 -9.90955 33.7984 -9.90819 -459.371 GPRESSURE: 4431000 -131.672 20.8981 18.3086 168.375 -307.582 67.556 21.871 -85.6978 -426.417 PRESSAVG: 4431000 1.49645 -51.2553 -54.2512 -51.2553 31.3534 23.7345 -54.2511 23.7346 -1.99532 GPRESSAVG: 4431000 1.48004 -53.4894 -54.6818 -51.5847 31.297 20.8974 -55.2238 23.3505 -2.14854 TIMING: 4431000 CPU: 14011.6, 0.00314917/step Wall: 14011.6, 0.00314917/step, 0.497743 hours remaining, 236.589844 MB of memory in use. ENERGY: 4431000 4090.2299 20552.0958 14506.8414 238.5685 -202733.6412 2169.8698 0.0000 0.0000 51969.5824 -109206.4533 298.6699 -161176.0357 -108850.8555 299.9175 -318.6891 -288.5569 763694.1212 10.2848 10.2095 PRESSURE: 4431200 -513.225 19.3465 -241.179 19.3472 40.1417 75.9838 -241.179 75.9841 185.124 GPRESSURE: 4431200 -425.847 54.8079 -204.068 150.56 -10.061 59.2578 -178.312 199.638 213.718 PRESSAVG: 4431200 -17.1894 1.23022 -27.195 1.23015 4.88079 70.0718 -27.1951 70.0717 -13.3716 GPRESSAVG: 4431200 -15.0694 3.04474 -28.7489 1.16159 3.5406 71.8882 -26.975 71.3158 -13.8237 TIMING: 4431200 CPU: 14012.3, 0.00315157/step Wall: 14012.3, 0.00315157/step, 0.497948 hours remaining, 236.589844 MB of memory in use. ENERGY: 4431200 4036.2511 20630.1204 14486.2123 231.7974 -203102.2338 2540.3091 0.0000 0.0000 51884.9339 -109292.6096 298.1834 -161177.5435 -108933.8418 299.7533 -95.9863 -74.0632 763166.0852 -8.5601 -8.4508 PRESSURE: 4431400 -515.016 -40.7854 -142.886 -40.7856 22.0608 206.526 -142.886 206.526 -47.966 GPRESSURE: 4431400 -409.722 -64.6466 -137.332 -19.0714 -47.3179 117.551 -122.401 65.1838 7.22695 PRESSAVG: 4431400 -18.6951 -4.03706 -30.1414 -4.03702 25.9893 38.7094 -30.1414 38.7095 5.68685 GPRESSAVG: 4431400 -19.6276 -6.0739 -30.1666 -5.19703 26.1349 37.6838 -29.8672 37.7173 6.57878 TIMING: 4431400 CPU: 14012.9, 0.00318941/step Wall: 14012.9, 0.00318941/step, 0.503749 hours remaining, 236.589844 MB of memory in use. ENERGY: 4431400 4022.8352 20561.7697 14491.0848 243.1567 -202944.2718 2374.2367 0.0000 0.0000 52028.3918 -109222.7969 299.0079 -161251.1887 -108848.4164 299.5863 -180.3072 -149.9378 762635.5946 4.3270 4.3620 PRESSURE: 4431600 136.189 -41.9771 251.714 -41.9766 -76.6484 80.1643 251.713 80.1648 347.786 GPRESSURE: 4431600 185.927 -116.137 198.312 7.61932 -25.1265 164.209 197.249 101.46 350.895 PRESSAVG: 4431600 22.344 -11.512 -16.4678 -11.5119 5.73197 50.2686 -16.4678 50.2687 -27.9181 GPRESSAVG: 4431600 21.8774 -10.6584 -16.0809 -10.063 5.69673 48.9657 -16.4569 52.3721 -27.5627 TIMING: 4431600 CPU: 14013.5, 0.00317426/step Wall: 14013.5, 0.00317426/step, 0.50118 hours remaining, 236.589844 MB of memory in use. ENERGY: 4431600 3978.6501 20576.6944 14521.7171 261.0198 -203426.0039 2839.9745 0.0000 0.0000 51952.3069 -109295.6411 298.5706 -161247.9480 -108929.5085 299.7092 135.7756 170.5652 761473.3360 0.0526 0.0038 PRESSURE: 4431800 310.922 195.021 269.677 195.02 -60.6617 41.1696 269.675 41.1695 198.227 GPRESSURE: 4431800 260.766 162.836 312.654 185.557 62.1806 8.04582 199.176 -54.0058 212.192 PRESSAVG: 4431800 23.61 34.9182 -64.3964 34.9181 4.36215 38.5756 -64.3964 38.5756 5.30365 GPRESSAVG: 4431800 23.6604 33.4542 -64.1939 34.6638 5.76232 40.2819 -63.7147 38.4336 3.63985 TIMING: 4431800 CPU: 14014.2, 0.00318968/step Wall: 14014.2, 0.00318968/step, 0.503438 hours remaining, 236.589844 MB of memory in use. ENERGY: 4431800 4011.4043 20492.9759 14515.2820 269.3250 -203403.7050 2759.2275 0.0000 0.0000 52098.2368 -109257.2535 299.4093 -161355.4903 -108886.5340 299.9421 149.4957 178.3795 759078.0315 11.0919 11.0209 PRESSURE: 4432000 123.426 -1.31297 -36.1532 -1.31303 319.957 238.932 -36.1528 238.932 597.438 GPRESSURE: 4432000 215.556 15.4215 -60.767 51.6222 314.407 181.851 15.1837 318.024 614.55 PRESSAVG: 4432000 5.1897 20.8808 29.8237 20.8807 22.3662 13.5588 29.8237 13.5588 -22.6011 GPRESSAVG: 4432000 5.4468 23.1812 29.5579 20.858 22.4393 14.059 31.7079 12.1806 -23.117 TIMING: 4432000 CPU: 14014.8, 0.00316151/step Wall: 14014.8, 0.00316151/step, 0.498816 hours remaining, 236.589844 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: 4432000 4013.3344 20506.7601 14485.5752 254.4571 -203673.8177 2887.9207 0.0000 0.0000 52413.5140 -109112.2562 301.2212 -161525.7703 -108748.6700 300.1179 346.9404 381.5043 759683.0610 1.6516 1.5897 PRESSURE: 4432200 190.623 -122.9 40.769 -122.9 -98.7529 -60.681 40.7697 -60.6802 -272.051 GPRESSURE: 4432200 257.582 -106.641 1.1172 -88.8042 -57.6449 -35.5635 23.7351 -64.8819 -283.463 PRESSAVG: 4432200 35.7149 16.3727 -42.0676 16.3727 -20.6562 7.22109 -42.0675 7.22107 12.8442 GPRESSAVG: 4432200 34.6815 16.0055 -42.2399 16.7792 -21.1216 6.69491 -45.8584 7.88847 14.2345 TIMING: 4432200 CPU: 14015.4, 0.00315846/step Wall: 14015.4, 0.00315846/step, 0.498159 hours remaining, 236.589844 MB of memory in use. ENERGY: 4432200 4048.8988 20622.8750 14467.9134 246.3348 -203257.6153 2424.9948 0.0000 0.0000 52294.2046 -109152.3941 300.5355 -161446.5987 -108778.6803 300.1541 -60.0602 -27.8420 760177.7831 9.3010 9.2648 LDB: ============= START OF LOAD BALANCING ============== 14028 LDB: ============== END OF LOAD BALANCING =============== 14028 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14028 LDB: ============= START OF LOAD BALANCING ============== 14028.3 LDB: Largest compute 7078 load 0.034638 is 17.7% of average load 0.195521 LDB: Average compute 0.004377 is 2.2% of average load 0.195521 LDB: TIME 14028.3 LOAD: AVG 0.195521 MAX 0.216919 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.746 MB LDB: TIME 14028.3 LOAD: AVG 0.195521 MAX 0.216919 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: TIME 14028.3 LOAD: AVG 0.195521 MAX 0.216919 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.805 MB LDB: ============== END OF LOAD BALANCING =============== 14028.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14028.3 PRESSURE: 4432400 276.426 0.0911971 -38.573 0.0908014 -16.6927 60.5247 -38.5734 60.5252 -289.861 GPRESSURE: 4432400 226.307 100.135 -79.2704 49.4821 21.6474 76.456 -37.8656 32.7918 -218.398 PRESSAVG: 4432400 15.9005 5.38828 -9.32102 5.38827 -50.7418 35.4976 -9.32113 35.4977 19.3843 GPRESSAVG: 4432400 17.7979 5.43991 -10.3792 3.02558 -51.5544 35.1089 -6.52371 34.2433 18.1396 TIMING: 4432400 CPU: 14016.1, 0.00324503/step Wall: 14016.1, 0.00324503/step, 0.511633 hours remaining, 235.449219 MB of memory in use. ENERGY: 4432400 4067.1105 20527.9904 14454.7381 221.4779 -203697.0597 2978.3290 0.0000 0.0000 52106.9774 -109340.4365 299.4595 -161447.4139 -108983.7228 299.5994 -10.0425 9.8522 762025.2651 -5.1523 -5.2056 PRESSURE: 4432600 -56.4334 54.7636 -0.778319 54.764 18.9383 77.0876 -0.778799 77.0877 102.063 GPRESSURE: 4432600 32.0341 12.9107 42.3498 36.9688 78.7473 57.3717 48.6966 131.823 39.6978 PRESSAVG: 4432600 16.0363 -10.7138 -3.36293 -10.7137 -14.4747 -8.78479 -3.36297 -8.78477 3.57502 GPRESSAVG: 4432600 15.1921 -11.1064 -3.38349 -6.68835 -14.8093 -7.30642 -4.63837 -7.57112 4.24516 TIMING: 4432600 CPU: 14016.7, 0.00317934/step Wall: 14016.7, 0.00317934/step, 0.501099 hours remaining, 235.500000 MB of memory in use. ENERGY: 4432600 4019.1589 20521.5956 14404.5645 237.1487 -203002.1258 2497.8243 0.0000 0.0000 52220.9288 -109100.9048 300.1144 -161321.8336 -108733.3717 299.9230 21.5226 50.1597 763092.3732 1.7122 1.5427 PRESSURE: 4432800 -180.253 71.7821 120.388 71.7827 -420.184 4.90646 120.388 4.90676 -287.927 GPRESSURE: 4432800 -185.258 -18.2143 87.3884 15.9793 -379.706 -36.2002 101.062 -138.548 -236.105 PRESSAVG: 4432800 9.32048 68.4545 -26.0755 68.4544 14.5077 23.4247 -26.0755 23.4247 13.7543 GPRESSAVG: 4432800 8.25452 67.4372 -24.8032 66.2315 15.1655 20.8204 -23.6881 22.7221 14.0877 TIMING: 4432800 CPU: 14017.3, 0.00315249/step Wall: 14017.3, 0.00315249/step, 0.496693 hours remaining, 235.500000 MB of memory in use. ENERGY: 4432800 4092.5276 20545.9789 14469.4626 243.1657 -203252.1049 2518.6074 0.0000 0.0000 52226.1410 -109156.2216 300.1444 -161382.3627 -108798.7054 300.4950 -296.1214 -267.0230 763188.9326 12.5275 12.5026 PRESSURE: 4433000 147.036 129.641 51.9986 129.642 112.573 50.051 51.9979 50.051 189.566 GPRESSURE: 4433000 211.374 -30.7637 47.8014 171.818 88.5657 19.1224 -111.348 51.2791 208.406 PRESSAVG: 4433000 -9.8267 24.8278 -45.1466 24.8278 -30.4604 0.413616 -45.1467 0.41359 13.947 GPRESSAVG: 4433000 -8.33046 25.6882 -44.1068 25.6256 -31.925 2.8603 -47.9017 -1.14495 14.0969 TIMING: 4433000 CPU: 14018, 0.00318392/step Wall: 14018, 0.00318392/step, 0.501467 hours remaining, 235.500000 MB of memory in use. ENERGY: 4433000 4012.4235 20619.6927 14496.1512 240.8131 -203386.7532 2638.5803 0.0000 0.0000 52324.6043 -109054.4880 300.7102 -161379.0923 -108688.9610 299.8611 149.7250 169.4486 762062.4532 -8.7800 -8.7195 PRESSURE: 4433200 70.4108 -92.2211 -10.3847 -92.2221 -142.969 -121.978 -10.3847 -121.979 -277.722 GPRESSURE: 4433200 -5.92373 -101.105 29.4302 1.33053 -27.3318 -114.666 -19.4634 -96.5894 -220.169 PRESSAVG: 4433200 -36.3517 56.1885 -44.8184 56.1885 6.74246 0.647813 -44.8184 0.64787 -14.9665 GPRESSAVG: 4433200 -37.7198 58.3753 -46.5232 55.491 8.0889 0.0439037 -43.3438 3.09132 -15.4237 TIMING: 4433200 CPU: 14018.6, 0.00317963/step Wall: 14018.6, 0.00317963/step, 0.500614 hours remaining, 235.500000 MB of memory in use. ENERGY: 4433200 4003.4878 20377.4804 14544.2912 256.7939 -203059.4558 2419.4526 0.0000 0.0000 52206.0387 -109251.9111 300.0288 -161457.9498 -108879.7165 300.1478 -116.7600 -84.4747 761774.7441 -14.8586 -15.0182 PRESSURE: 4433400 165.85 -8.19787 -70.5706 -8.19819 -406.247 -106.711 -70.5696 -106.711 153.897 GPRESSURE: 4433400 111.744 -13.6998 -106.042 -26.5252 -338.909 -177.751 -107.988 -95.493 231.854 PRESSAVG: 4433400 40.1231 4.31646 -62.4981 4.31643 -55.3343 -28.6306 -62.4981 -28.6306 -9.25491 GPRESSAVG: 4433400 39.2844 4.74908 -63.2591 3.35528 -55.092 -29.7023 -61.6377 -29.2324 -8.69702 TIMING: 4433400 CPU: 14019.3, 0.0031648/step Wall: 14019.3, 0.0031648/step, 0.498104 hours remaining, 235.500000 MB of memory in use. ENERGY: 4433400 4011.1665 20422.0606 14578.1440 247.8714 -203196.0676 2584.9830 0.0000 0.0000 52278.9228 -109072.9193 300.4477 -161351.8421 -108712.7514 299.7785 -28.8333 1.5632 763121.8071 -8.1554 -8.1682 PRESSURE: 4433600 279.231 39.6618 -163.439 39.6615 -207.28 -186.113 -163.438 -186.113 -56.4732 GPRESSURE: 4433600 145.788 63.5872 -56.8662 -9.5305 30.6539 -204.903 -51.6163 -115.63 -89.3654 PRESSAVG: 4433600 -27.8233 31.1827 12.5487 31.1827 30.0094 -3.47711 12.5487 -3.47712 21.2207 GPRESSAVG: 4433600 -27.767 32.8619 12.2053 30.3054 30.0015 -2.83201 10.6947 -1.4343 20.9607 TIMING: 4433600 CPU: 14019.9, 0.00315487/step Wall: 14019.9, 0.00315488/step, 0.496367 hours remaining, 235.703125 MB of memory in use. ENERGY: 4433600 3924.7283 20522.4607 14454.3501 258.0772 -203419.5184 2570.3461 0.0000 0.0000 52382.9065 -109306.6495 301.0453 -161689.5560 -108927.2262 300.1846 5.1592 29.0255 761094.1196 7.8023 7.7317 PRESSURE: 4433800 9.1776 216.29 19.8567 216.289 -250.374 -177.265 19.8562 -177.265 -105.222 GPRESSURE: 4433800 22.5168 247.141 -45.8245 206.064 -192.896 -165.6 -29.6312 -103.526 -63.6423 PRESSAVG: 4433800 58.6095 29.526 -6.40473 29.526 -43.6968 5.34982 -6.40477 5.34984 3.19583 GPRESSAVG: 4433800 58.3869 26.8961 -3.91557 31.6292 -44.1942 6.89201 -5.01547 3.66197 4.2555 TIMING: 4433800 CPU: 14020.5, 0.00316796/step Wall: 14020.5, 0.00316796/step, 0.49825 hours remaining, 235.703125 MB of memory in use. ENERGY: 4433800 3959.2464 20565.8668 14528.7430 219.7181 -203526.4253 2553.2464 0.0000 0.0000 52281.3100 -109418.2946 300.4614 -161699.6046 -109047.7613 299.6034 -115.4729 -78.0070 761352.6125 6.0362 6.1494 PRESSURE: 4434000 -15.1949 65.9407 -282.225 65.9403 22.5265 11.6826 -282.224 11.683 225.67 GPRESSURE: 4434000 63.0852 17.7709 -159.378 66.3476 -46.235 -38.8156 -452.876 -18.7026 315.617 PRESSAVG: 4434000 35.8175 -2.49344 -47.4995 -2.49345 -29.853 -46.016 -47.4995 -46.0161 14.826 GPRESSAVG: 4434000 36.8793 -1.85818 -47.838 -5.33983 -30.136 -47.9449 -48.9351 -44.9773 13.9079 TIMING: 4434000 CPU: 14021.2, 0.00316143/step Wall: 14021.2, 0.00316143/step, 0.497047 hours remaining, 235.703125 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: 4434000 3994.5270 20668.6952 14410.7819 250.7689 -203283.9064 2392.9121 0.0000 0.0000 52118.7222 -109447.4990 299.5270 -161566.2213 -109087.3333 299.8518 77.6671 110.8224 760878.6836 6.9302 6.8838 PRESSURE: 4434200 44.8778 103.474 2.25824 103.475 -163.209 -142.901 2.25815 -142.901 221.51 GPRESSURE: 4434200 73.3285 -19.1673 61.3453 165.05 -170.488 -206.014 89.7701 -112.108 290.696 PRESSAVG: 4434200 -17.5226 12.4229 43.442 12.4228 9.3543 -33.5928 43.442 -33.5927 3.73378 GPRESSAVG: 4434200 -18.2654 11.3918 44.1364 15.8283 9.2514 -31.6464 41.804 -35.122 4.46372 TIMING: 4434200 CPU: 14021.8, 0.00317575/step Wall: 14021.8, 0.00317575/step, 0.499122 hours remaining, 235.703125 MB of memory in use. ENERGY: 4434200 3895.1786 20475.4466 14497.0730 225.6317 -203603.8327 2684.3299 0.0000 0.0000 52216.5157 -109609.6572 300.0890 -161826.1729 -109238.8992 299.3231 34.3931 64.5124 761572.4939 -1.4782 -1.5167 PRESSURE: 4434400 -385.512 -297.433 -24.945 -297.432 -298.779 -142.478 -24.9447 -142.477 -216.56 GPRESSURE: 4434400 -274.204 -177.405 -25.7522 -193.682 -315.137 -123.248 12.5732 -72.3434 -228.088 PRESSAVG: 4434400 20.98 -4.76996 4.48104 -4.76993 19.8448 -40.6315 4.48106 -40.6315 -13.779 GPRESSAVG: 4434400 22.6283 -3.25774 2.0491 -6.89528 19.1499 -41.3943 6.84162 -40.1429 -14.5261 TIMING: 4434400 CPU: 14022.4, 0.00315844/step Wall: 14022.4, 0.00315844/step, 0.496226 hours remaining, 235.703125 MB of memory in use. ENERGY: 4434400 4001.8062 20490.0973 14488.2120 252.1085 -203251.4445 2354.8730 0.0000 0.0000 51967.1355 -109697.2120 298.6558 -161664.3475 -109325.8422 299.3272 -300.2836 -272.4763 762426.1319 9.0152 9.0841 PRESSURE: 4434600 -326.507 -15.7392 60.1141 -15.7393 -85.7659 9.4573 60.115 9.45703 -331.022 GPRESSURE: 4434600 -296.268 1.747 72.2198 52.8074 -45.6923 -1.23259 -26.8683 -38.452 -320.281 PRESSAVG: 4434600 -3.73811 -42.8323 15.4041 -42.8324 33.0891 20.051 15.4041 20.0511 -0.741897 GPRESSAVG: 4434600 -4.75098 -44.1006 17.3449 -44.8626 33.7208 21.8501 16.0153 19.8869 -0.182738 TIMING: 4434600 CPU: 14023, 0.00315263/step Wall: 14023, 0.00315263/step, 0.495137 hours remaining, 235.703125 MB of memory in use. ENERGY: 4434600 3879.0683 20529.6714 14506.4817 241.3494 -203145.8637 2388.1494 0.0000 0.0000 52015.9503 -109585.1932 298.9364 -161601.1435 -109225.1406 299.0343 -247.7650 -220.7472 761429.2333 9.5364 9.5957 PRESSURE: 4434800 -97.7228 86.5567 31.8686 86.557 -111.816 -51.1477 31.8692 -51.1473 -354.226 GPRESSURE: 4434800 -59.3248 162.708 3.60037 117.211 -152.382 39.3194 -23.7788 -8.85652 -255.989 PRESSAVG: 4434800 2.02134 -8.23969 12.4775 -8.23974 6.91314 -18.3177 12.4775 -18.3178 29.7443 GPRESSAVG: 4434800 2.10961 -8.69713 12.8058 -4.47499 7.88494 -20.1524 11.894 -19.0447 29.2297 TIMING: 4434800 CPU: 14023.7, 0.00316585/step Wall: 14023.7, 0.00316585/step, 0.497038 hours remaining, 235.703125 MB of memory in use. ENERGY: 4434800 3991.3726 20572.9129 14503.2644 261.7300 -203483.2952 2607.1194 0.0000 0.0000 52005.9542 -109540.9417 298.8789 -161546.8959 -109175.1264 298.9622 -187.9215 -155.8988 761617.3026 12.8929 13.0747 PRESSURE: 4435000 -128.89 -57.2819 26.6638 -57.2814 74.9309 -33.4409 26.6647 -33.4404 244.209 GPRESSURE: 4435000 -38.565 -46.16 -19.1135 -17.9126 113.458 -4.6595 113.626 0.383564 210.7 PRESSAVG: 4435000 9.30789 -25.0525 1.01056 -25.0525 -19.2875 -5.005 1.01059 -5.00504 -0.321912 GPRESSAVG: 4435000 10.2766 -23.6664 -0.956078 -27.0101 -19.912 -4.72627 2.15311 -4.45169 -0.399334 TIMING: 4435000 CPU: 14024.3, 0.00315924/step Wall: 14024.3, 0.00315924/step, 0.495825 hours remaining, 235.703125 MB of memory in use. ENERGY: 4435000 3950.9571 20520.8920 14451.3114 258.9161 -203305.7550 2528.4554 0.0000 0.0000 51916.6928 -109678.5302 298.3659 -161595.2230 -109318.5493 298.7860 63.4165 95.1977 761235.9563 -3.4338 -3.3449 PRESSURE: 4435200 -283.925 240.527 121.593 240.526 -3.99662 53.1771 121.592 53.1775 -260.085 GPRESSURE: 4435200 -211.096 301.849 39.8291 183.019 123.708 78.9128 51.1038 32.8418 -370.978 PRESSAVG: 4435200 16.6063 -13.5105 -30.772 -13.5105 -6.03337 -34.4725 -30.772 -34.4725 -30.6063 GPRESSAVG: 4435200 14.5057 -12.9263 -29.0139 -13.8694 -4.95068 -33.2013 -32.0678 -35.1805 -29.3891 TIMING: 4435200 CPU: 14024.9, 0.00315138/step Wall: 14024.9, 0.00315138/step, 0.494416 hours remaining, 235.703125 MB of memory in use. ENERGY: 4435200 4009.1040 20554.1533 14446.4417 250.7929 -203669.2391 2604.9988 0.0000 0.0000 52107.7738 -109695.9745 299.4641 -161803.7483 -109339.3583 299.4862 -182.6690 -152.7887 760258.8602 -6.6778 -6.6114 PRESSURE: 4435400 10.971 12.0181 -317.816 12.0185 99.9916 42.7996 -317.816 42.7997 -375.073 GPRESSURE: 4435400 19.2192 28.221 -330.981 48.9809 126.489 115.279 -333.287 -11.8444 -312.852 PRESSAVG: 4435400 -20.6786 11.7648 2.34341 11.7647 26.2366 16.8935 2.34335 16.8934 -27.9971 GPRESSAVG: 4435400 -19.0391 12.2584 2.59693 10.2925 23.9552 17.4722 1.05008 17.0283 -27.1571 TIMING: 4435400 CPU: 14025.6, 0.00317799/step Wall: 14025.6, 0.00317799/step, 0.498414 hours remaining, 235.703125 MB of memory in use. ENERGY: 4435400 4032.0792 20315.4121 14458.3882 236.9486 -203814.0156 2788.2433 0.0000 0.0000 52190.4285 -109792.5158 299.9391 -161982.9443 -109433.2765 298.8410 -88.0368 -55.7145 759670.3173 -7.4797 -7.4137 PRESSURE: 4435600 199.783 -61.0549 188.907 -61.0553 -187.922 -31.9393 188.907 -31.9393 83.7413 GPRESSURE: 4435600 242.858 -23.4247 76.194 -51.4174 -165.066 -147.678 259.31 28.9067 93.6977 PRESSAVG: 4435600 -3.7714 -19.9242 -55.3397 -19.9242 -46.1225 -36.5248 -55.3397 -36.5248 -6.86616 GPRESSAVG: 4435600 -4.09372 -20.9933 -57.443 -16.5914 -44.6838 -37.863 -51.4523 -36.3012 -7.63671 TIMING: 4435600 CPU: 14026.2, 0.00316561/step Wall: 14026.2, 0.00316561/step, 0.496297 hours remaining, 235.703125 MB of memory in use. ENERGY: 4435600 4062.6252 20485.6543 14504.6122 269.6615 -203970.8699 2992.1451 0.0000 0.0000 52015.9831 -109640.1884 298.9366 -161656.1715 -109271.1415 298.8794 31.8677 57.1633 760877.3953 -18.9200 -18.8048 PRESSURE: 4435800 146.103 145.091 163.768 145.091 -247.849 25.0872 163.769 25.0871 104.744 GPRESSURE: 4435800 172.488 107.523 129.831 98.6123 -173.399 111.805 115.723 60.8097 59.595 PRESSAVG: 4435800 2.88331 3.41489 -13.5993 3.41486 21.4427 -3.35882 -13.5994 -3.35883 -14.2379 GPRESSAVG: 4435800 2.85563 5.16478 -12.3862 2.42787 21.5941 -4.14504 -17.4954 -3.26875 -14.3245 TIMING: 4435800 CPU: 14026.8, 0.00316063/step Wall: 14026.8, 0.00316063/step, 0.495342 hours remaining, 235.703125 MB of memory in use. ENERGY: 4435800 3984.3864 20652.1630 14507.1554 229.2753 -203087.1433 2320.9770 0.0000 0.0000 51939.3230 -109453.8631 298.4960 -161393.1862 -109095.9894 299.1444 0.9994 19.5613 760313.1623 3.3627 3.3751 PRESSURE: 4436000 -80.0386 -133.232 -202.035 -133.233 -335.608 75.3151 -202.035 75.3142 -164.744 GPRESSURE: 4436000 -141.087 -63.4644 -157.941 -135.917 -306.24 78.1287 -177.069 123.482 -69.6979 PRESSAVG: 4436000 10.5981 -9.11808 -20.4528 -9.11811 -53.1207 -17.3093 -20.4528 -17.3094 31.1301 GPRESSAVG: 4436000 10.8747 -9.88143 -20.1186 -8.05247 -53.9595 -16.2669 -18.5615 -19.0704 31.6479 TIMING: 4436000 CPU: 14027.5, 0.00315543/step Wall: 14027.5, 0.00315543/step, 0.49435 hours remaining, 235.703125 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: 4436000 3995.4796 20793.3722 14454.9381 241.9938 -203253.4131 2338.4186 0.0000 0.0000 51960.5082 -109468.7026 298.6178 -161429.2108 -109109.3124 299.5829 -193.4636 -172.3415 760084.7824 -3.7975 -3.8123 PRESSURE: 4436200 230.7 -286.307 -77.8496 -286.307 38.0095 50.7957 -77.8494 50.7972 -306.874 GPRESSURE: 4436200 234.505 -273.524 20.7965 -114.74 58.8699 22.5698 -189.58 94.2672 -236.524 PRESSAVG: 4436200 -11.9335 -8.32729 -34.6912 -8.32731 52.0586 18.2748 -34.6912 18.2749 29.6646 GPRESSAVG: 4436200 -12.1754 -8.54086 -35.4169 -9.02471 52.1509 17.4509 -34.5987 21.4799 29.8035 TIMING: 4436200 CPU: 14028.1, 0.00315071/step Wall: 14028.1, 0.00315071/step, 0.493436 hours remaining, 235.703125 MB of memory in use. ENERGY: 4436200 3989.7811 20674.6287 14444.0334 238.4404 -203268.1628 2479.5791 0.0000 0.0000 51944.8161 -109496.8840 298.5276 -161441.7001 -109138.4364 298.9733 -12.7213 18.9504 759931.1581 23.2632 23.2597 LDB: ============= START OF LOAD BALANCING ============== 14040.6 LDB: ============== END OF LOAD BALANCING =============== 14040.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14040.6 LDB: ============= START OF LOAD BALANCING ============== 14041 LDB: Largest compute 7078 load 0.034533 is 17.7% of average load 0.195649 LDB: Average compute 0.004388 is 2.2% of average load 0.195649 LDB: TIME 14041 LOAD: AVG 0.195649 MAX 0.214802 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.23 MB LDB: TIME 14041 LOAD: AVG 0.195649 MAX 0.214802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: TIME 14041 LOAD: AVG 0.195649 MAX 0.214802 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.344 MB LDB: ============== END OF LOAD BALANCING =============== 14041 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14041 PRESSURE: 4436400 186.94 232.236 25.5485 232.235 152.584 123.552 25.5474 123.553 194.545 GPRESSURE: 4436400 176.7 129.276 112.179 149.405 188.641 79.1691 3.21364 131.662 229.354 PRESSAVG: 4436400 -21.0494 -35.3813 0.484084 -35.3813 5.72055 -35.2483 0.484131 -35.2482 -38.7445 GPRESSAVG: 4436400 -21.6952 -33.3118 0.589961 -35.4617 4.98573 -35.2516 -0.435847 -36.0977 -38.1032 TIMING: 4436400 CPU: 14028.8, 0.00323634/step Wall: 14028.8, 0.00323634/step, 0.506666 hours remaining, 236.421875 MB of memory in use. ENERGY: 4436400 4018.7997 20633.7584 14522.4999 242.9496 -203540.3238 2668.4129 0.0000 0.0000 51826.9856 -109626.9177 297.8504 -161453.9033 -109264.5295 299.4021 178.0228 198.2314 759754.0592 -18.0244 -18.2709 PRESSURE: 4436600 -251.288 2.22605 107.505 2.22621 127.074 213.731 107.505 213.732 281.272 GPRESSURE: 4436600 -223.273 -43.5896 149.339 -9.86413 160.614 189.631 182.428 57.0819 313.73 PRESSAVG: 4436600 -10.8593 30.9327 9.56949 30.9327 21.7953 14.7234 9.5695 14.7234 15.2367 GPRESSAVG: 4436600 -10.2441 29.1498 9.98713 29.2394 22.9843 14.1846 8.91373 13.7627 13.4445 TIMING: 4436600 CPU: 14029.4, 0.00315619/step Wall: 14029.4, 0.00315619/step, 0.493944 hours remaining, 236.625000 MB of memory in use. ENERGY: 4436600 3924.1024 20454.9705 14545.8247 251.4455 -203302.2554 2536.8833 0.0000 0.0000 51827.2387 -109761.7902 297.8519 -161589.0289 -109397.5070 299.0438 52.3524 83.6903 761712.4889 8.7242 8.7283 PRESSURE: 4436800 -218.203 -96.8808 0.799859 -96.8804 89.8226 84.2244 0.79986 84.2245 -187.5 GPRESSURE: 4436800 -79.9596 -137.491 -68.8886 -80.0281 48.6584 46.0907 65.9034 55.1247 -191.611 PRESSAVG: 4436800 -28.6724 6.64574 -24.7258 6.64575 43.2985 -1.21049 -24.7258 -1.21049 11.541 GPRESSAVG: 4436800 -28.2108 6.51078 -25.8101 8.69791 42.637 -0.0461607 -24.2739 -2.20995 12.0357 TIMING: 4436800 CPU: 14030, 0.00314152/step Wall: 14030, 0.00314152/step, 0.491474 hours remaining, 236.625000 MB of memory in use. ENERGY: 4436800 3986.5904 20401.2792 14475.8376 231.4822 -203458.9197 2562.8981 0.0000 0.0000 52109.4087 -109691.4234 299.4735 -161800.8321 -109316.0629 299.1883 -105.2933 -74.3042 761032.9140 8.7224 8.8206 PRESSURE: 4437000 139.753 17.0622 19.5987 17.0624 -86.3403 -108.236 19.5994 -108.237 -338.954 GPRESSURE: 4437000 299.424 79.1344 46.4218 -33.4592 -147.94 -91.6169 -125.294 -92.3556 -375.113 PRESSAVG: 4437000 -21.7435 -14.1094 13.1498 -14.1094 42.3853 -0.450115 13.1499 -0.45014 -3.33324 GPRESSAVG: 4437000 -21.6156 -15.1749 15.1397 -15.1254 43.3884 -0.190377 10.6608 1.2984 -4.20168 TIMING: 4437000 CPU: 14030.6, 0.00315241/step Wall: 14030.6, 0.00315241/step, 0.493001 hours remaining, 236.625000 MB of memory in use. ENERGY: 4437000 3971.0464 20547.7336 14497.6632 221.4730 -203321.1343 2562.5991 0.0000 0.0000 51955.3633 -109565.2558 298.5882 -161520.6190 -109205.5383 298.8265 -95.1806 -74.5429 762308.6631 5.7695 5.8570 PRESSURE: 4437200 -91.0077 354.631 121.254 354.632 -2.53168 -180.24 121.254 -180.24 -67.5297 GPRESSURE: 4437200 41.3575 391.126 87.8262 266.123 -66.056 -144.528 134.958 -154.546 -73.8507 PRESSAVG: 4437200 -58.8374 11.3574 -27.2752 11.3574 12.2711 -17.0087 -27.2752 -17.0087 2.1444 GPRESSAVG: 4437200 -59.671 12.5779 -28.4356 12.1034 12.6395 -17.6629 -24.1199 -16.4451 2.53111 TIMING: 4437200 CPU: 14031.3, 0.00315479/step Wall: 14031.3, 0.00315479/step, 0.493198 hours remaining, 236.625000 MB of memory in use. ENERGY: 4437200 3973.5003 20541.4332 14481.5212 246.5239 -203514.9645 2649.7108 0.0000 0.0000 52173.2945 -109448.9807 299.8406 -161622.2752 -109071.5934 298.9748 -53.6897 -32.8497 760729.1222 -14.8073 -14.8335 PRESSURE: 4437400 65.4556 -18.5174 48.506 -18.5177 -109.032 -137.025 48.5054 -137.024 75.2902 GPRESSURE: 4437400 60.3968 77.586 57.2255 45.6465 -57.9632 -140.89 127.034 -88.9337 133.722 PRESSAVG: 4437400 51.1354 -36.2685 -64.4994 -36.2684 -90.6932 36.4237 -64.4994 36.4236 -14.0943 GPRESSAVG: 4437400 52.4271 -35.561 -64.9407 -34.7792 -92.2107 36.4241 -65.7017 35.6282 -13.3528 TIMING: 4437400 CPU: 14031.9, 0.00314782/step Wall: 14031.9, 0.00314782/step, 0.491934 hours remaining, 236.625000 MB of memory in use. ENERGY: 4437400 4023.7698 20363.1685 14530.8153 234.4482 -202900.1268 2194.8302 0.0000 0.0000 51944.6597 -109608.4351 298.5267 -161553.0948 -109247.7324 298.7792 10.5711 45.3851 759200.9333 -17.8841 -17.7121 PRESSURE: 4437600 -115.22 -126.907 -46.4525 -126.907 -258.092 -269.355 -46.4524 -269.356 33.363 GPRESSURE: 4437600 -88.6057 -190.041 -73.1896 -72.7025 -224.44 -313.891 -140.221 -229.868 45.0522 PRESSAVG: 4437600 47.9815 -40.8915 -45.0923 -40.8916 -10.9753 -4.83942 -45.0923 -4.83937 27.8159 GPRESSAVG: 4437600 46.8884 -43.7353 -43.0175 -41.5926 -9.69019 -5.10188 -45.2347 -5.14484 27.1065 TIMING: 4437600 CPU: 14032.5, 0.00314273/step Wall: 14032.5, 0.00314273/step, 0.490965 hours remaining, 236.625000 MB of memory in use. ENERGY: 4437600 4055.6766 20581.9510 14461.6827 235.7009 -203215.0892 2345.0281 0.0000 0.0000 51929.8152 -109605.2346 298.4414 -161535.0498 -109241.4972 299.0160 -113.3164 -89.3312 758940.1779 21.6074 21.4349 PRESSURE: 4437800 28.4817 138.598 9.74045 138.599 -23.2598 -72.7929 9.74082 -72.7925 -97.8803 GPRESSURE: 4437800 180.957 43.1814 6.5319 122.776 -19.6879 -32.238 -2.80929 -6.8699 -158.453 PRESSAVG: 4437800 -44.9545 1.2026 0.602651 1.20253 40.5872 -40.7202 0.602696 -40.7201 7.16891 GPRESSAVG: 4437800 -45.3149 3.97992 -0.116206 -1.14083 41.1298 -40.912 -0.345116 -39.19 7.23554 TIMING: 4437800 CPU: 14033.2, 0.00313053/step Wall: 14033.2, 0.00313053/step, 0.488885 hours remaining, 236.625000 MB of memory in use. ENERGY: 4437800 4042.6056 20578.9713 14549.2855 231.9402 -203524.2870 2624.1213 0.0000 0.0000 51962.8973 -109534.4658 298.6315 -161497.3631 -109167.6175 299.2774 -30.8861 0.9385 761755.8193 0.9339 1.0168 PRESSURE: 4438000 -60.394 -94.4144 188.553 -94.4149 76.8312 65.8064 188.553 65.8065 -116.917 GPRESSURE: 4438000 2.63993 -94.1023 151.632 -130.002 93.1338 4.64442 122.836 61.6021 -100.092 PRESSAVG: 4438000 -33.3293 -21.3981 -22.9971 -21.398 43.1853 -13.6895 -22.997 -13.6895 -19.4771 GPRESSAVG: 4438000 -32.9299 -20.9534 -23.4923 -19.3891 41.9697 -12.3483 -23.2953 -16.6203 -18.8862 TIMING: 4438000 CPU: 14033.8, 0.00316204/step Wall: 14033.8, 0.00316204/step, 0.493629 hours remaining, 236.625000 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: 4438000 4019.2633 20454.9407 14475.3185 259.6464 -203543.9298 2615.5892 0.0000 0.0000 52017.5688 -109701.6029 298.9457 -161719.1717 -109341.6429 298.9866 -33.4932 -1.4395 760560.3947 -3.2070 -3.2821 PRESSURE: 4438200 39.5863 -40.2576 -40.0191 -40.2578 16.0796 301.593 -40.0201 301.593 427.292 GPRESSURE: 4438200 165.878 -6.72605 42.5966 -90.3217 -33.14 293.746 -169.318 322.948 447.819 PRESSAVG: 4438200 -14.6319 -37.3762 46.6353 -37.3762 23.7936 10.8439 46.6353 10.8439 15.3639 GPRESSAVG: 4438200 -14.8833 -37.1468 47.7938 -39.9095 23.4283 9.48642 48.644 13.0627 15.465 TIMING: 4438200 CPU: 14034.4, 0.00315205/step Wall: 14034.4, 0.00315205/step, 0.491896 hours remaining, 236.625000 MB of memory in use. ENERGY: 4438200 3927.0205 20703.3018 14535.5595 251.5689 -203043.7622 2360.0903 0.0000 0.0000 51668.6393 -109597.5819 296.9404 -161266.2212 -109230.8213 298.7144 160.9859 193.5189 761904.5376 8.1752 8.0033 PRESSURE: 4438400 219.372 209.93 -252.296 209.93 145.461 155.048 -252.295 155.047 -44.5446 GPRESSURE: 4438400 172.043 129.511 -191.479 332.229 214.849 141.172 -235.186 113.276 52.8274 PRESSAVG: 4438400 -48.4073 -12.0551 -59.5007 -12.055 26.2374 29.7142 -59.5006 29.7142 27.4549 GPRESSAVG: 4438400 -47.9329 -11.9924 -60.073 -9.85214 27.3191 30.9228 -58.8744 29.223 26.7232 TIMING: 4438400 CPU: 14035.1, 0.00315424/step Wall: 14035.1, 0.00315424/step, 0.492061 hours remaining, 236.625000 MB of memory in use. ENERGY: 4438400 4018.0312 20575.7141 14456.6764 244.5537 -203325.8777 2762.6613 0.0000 0.0000 51806.6104 -109461.6306 297.7333 -161268.2410 -109103.9917 298.9729 106.7628 146.5732 762952.2459 1.7617 2.0365 PRESSURE: 4438600 410.621 -34.9193 -136.632 -34.9176 142.691 -56.7629 -136.632 -56.7633 43.8778 GPRESSURE: 4438600 381.519 -28.5902 -182.3 -126.545 237.815 -96.2051 -172.173 -45.3276 63.3901 PRESSAVG: 4438600 -34.5254 -45.664 -30.4187 -45.664 -4.71352 36.7644 -30.4187 36.7644 27.0897 GPRESSAVG: 4438600 -34.0514 -46.8507 -32.0703 -47.2327 -5.2257 35.6474 -28.6449 36.6768 27.784 TIMING: 4438600 CPU: 14035.7, 0.00316511/step Wall: 14035.7, 0.00316511/step, 0.493581 hours remaining, 236.625000 MB of memory in use. ENERGY: 4438600 3983.9578 20413.0684 14533.5676 252.5717 -203794.1410 2899.7184 0.0000 0.0000 52297.5587 -109413.6984 300.5548 -161711.2571 -109037.4753 299.3558 199.0632 227.5745 760376.6319 -4.0497 -3.8310 PRESSURE: 4438800 392.265 183.968 198.606 183.968 -133.186 -144.257 198.605 -144.257 -205.199 GPRESSURE: 4438800 392.157 191.304 141.622 5.30272 -151.176 -142.924 158.031 -83.8672 -109.287 PRESSAVG: 4438800 10.042 -73.6493 -37.6675 -73.6493 -28.7368 15.7861 -37.6675 15.7862 -27.9669 GPRESSAVG: 4438800 9.99906 -74.3371 -37.53 -72.6376 -28.1654 17.2438 -41.1588 16.7347 -28.3753 TIMING: 4438800 CPU: 14036.3, 0.00314999/step Wall: 14036.3, 0.00314999/step, 0.491048 hours remaining, 236.625000 MB of memory in use. ENERGY: 4438800 3959.7240 20594.8698 14554.1013 265.7386 -203079.0069 2239.6589 0.0000 0.0000 52076.4670 -109388.4473 299.2842 -161464.9143 -109024.0411 299.0273 17.9601 43.8981 760276.8413 -15.5539 -15.5139 PRESSURE: 4439000 7.97551 -57.3517 -155.167 -57.3525 -7.62483 301.593 -155.167 301.593 -542.026 GPRESSURE: 4439000 171.497 2.82129 -256.848 -74.9713 -52.5899 245.55 -164.535 196.907 -563.101 PRESSAVG: 4439000 -1.38898 -61.1265 -58.5343 -61.1265 36.5746 85.5345 -58.5343 85.5345 6.8321 GPRESSAVG: 4439000 -2.12678 -61.0522 -57.6106 -60.1689 36.7191 84.2283 -55.7115 85.4409 7.24968 TIMING: 4439000 CPU: 14036.9, 0.00312586/step Wall: 14036.9, 0.00312586/step, 0.487112 hours remaining, 236.625000 MB of memory in use. ENERGY: 4439000 4041.6935 20560.3639 14557.3670 256.1476 -203649.9954 2651.9700 0.0000 0.0000 52063.8262 -109518.6272 299.2115 -161582.4534 -109153.3169 299.4899 -180.5585 -148.0645 759857.6121 14.0059 13.9473 PRESSURE: 4439200 -205.525 -82.2584 79.2521 -82.2599 -310.914 -223.7 79.2525 -223.7 -344.4 GPRESSURE: 4439200 -161.809 -65.6106 94.7766 -117.377 -193.25 -59.6717 48.9558 -209.467 -423.996 PRESSAVG: 4439200 -30.7714 -15.1588 -41.6975 -15.1588 -16.7557 8.05452 -41.6975 8.05451 0.175464 GPRESSAVG: 4439200 -29.8117 -15.3398 -42.1844 -14.3494 -17.1843 8.62554 -40.3544 7.35137 -0.615453 TIMING: 4439200 CPU: 14037.6, 0.00312279/step Wall: 14037.6, 0.00312279/step, 0.486462 hours remaining, 236.625000 MB of memory in use. ENERGY: 4439200 4067.6883 20250.2149 14480.4398 228.5624 -202914.5370 2171.0226 0.0000 0.0000 52073.3675 -109643.2415 299.2664 -161716.6090 -109270.4114 299.1786 -286.9465 -259.6848 760979.7364 -15.7839 -15.8705 PRESSURE: 4439400 -303.975 -151.788 9.64307 -151.787 -283.898 145.724 9.64366 145.724 54.2172 GPRESSURE: 4439400 -204.888 -180.675 -77.797 -191.723 -236.066 229.99 -23.7153 235.862 -7.60217 PRESSAVG: 4439400 34.1212 -49.1435 -2.45565 -49.1435 -19.8528 -34.7163 -2.45569 -34.7163 -3.45412 GPRESSAVG: 4439400 33.6425 -49.0357 -2.03906 -48.5786 -19.6843 -34.5467 -3.91751 -34.425 -2.69643 TIMING: 4439400 CPU: 14038.2, 0.0031516/step Wall: 14038.2, 0.0031516/step, 0.490775 hours remaining, 236.625000 MB of memory in use. ENERGY: 4439400 3992.5009 20469.6118 14530.5933 230.7565 -203509.0079 2628.8852 0.0000 0.0000 51908.2076 -109748.4526 298.3172 -161656.6602 -109381.4027 298.5976 -177.8853 -149.5186 759762.7301 3.6047 3.7539 PRESSURE: 4439600 328.921 -91.2443 -37.7089 -91.2446 242.48 -67.8418 -37.7084 -67.8418 265.197 GPRESSURE: 4439600 377.974 -95.2434 -62.2001 -47.9264 291.862 -94.3084 32.4781 -46.2529 237.474 PRESSAVG: 4439600 -12.1316 -70.4271 -28.6672 -70.427 -17.654 -3.25547 -28.6673 -3.25541 0.56303 GPRESSAVG: 4439600 -10.7194 -68.7054 -28.4292 -73.1588 -19.0076 -2.49131 -28.5568 -4.57094 0.644368 TIMING: 4439600 CPU: 14038.8, 0.00313448/step Wall: 14038.8, 0.00313448/step, 0.487934 hours remaining, 236.625000 MB of memory in use. ENERGY: 4439600 3963.8498 20328.6492 14464.9510 246.4910 -203249.5887 2657.3793 0.0000 0.0000 51908.4879 -109679.7805 298.3188 -161588.2684 -109315.2292 298.4562 278.8660 302.4366 762475.2576 -9.7409 -9.6942 PRESSURE: 4439800 549.837 250.301 -70.9496 250.301 -32.1075 -206.657 -70.9496 -206.657 114.372 GPRESSURE: 4439800 484.215 216.976 -69.2099 279.426 118.157 -302.774 -128.241 -121.364 136.173 PRESSAVG: 4439800 13.0527 -8.20762 1.4922 -8.20758 -9.37171 51.3766 1.49224 51.3766 9.4008 GPRESSAVG: 4439800 12.2787 -9.05831 1.54036 -6.58568 -7.83373 50.1764 0.879799 51.9969 9.49288 TIMING: 4439800 CPU: 14039.4, 0.00313045/step Wall: 14039.4, 0.00313045/step, 0.487133 hours remaining, 236.625000 MB of memory in use. ENERGY: 4439800 3897.2957 20363.3551 14478.5352 250.2224 -203362.8572 2778.0580 0.0000 0.0000 52004.9200 -109590.4709 298.8730 -161595.3909 -109225.6240 298.5348 210.7005 246.1818 763535.7791 4.3606 4.6460 PRESSURE: 4440000 -193.91 50.9698 -84.8185 50.97 118.034 76.8322 -84.8186 76.8313 83.7657 GPRESSURE: 4440000 -60.4544 41.6178 -54.0068 -6.33422 116.112 112.421 -147.109 101.226 53.4901 PRESSAVG: 4440000 -69.4192 24.6591 -54.8428 24.659 40.116 -21.0092 -54.8428 -21.0092 -14.8508 GPRESSAVG: 4440000 -69.5363 24.7902 -56.091 23.9504 40.1637 -20.3019 -54.7677 -21.2952 -14.9432 TIMING: 4440000 CPU: 14040.1, 0.0031447/step Wall: 14040.1, 0.0031447/step, 0.489175 hours remaining, 236.625000 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: 4440000 4005.1601 20379.4444 14500.5452 265.4513 -203475.5994 2790.9100 0.0000 0.0000 51787.3308 -109746.7577 297.6225 -161534.0885 -109388.7708 298.1234 2.6301 36.3827 761426.7353 -14.7180 -14.7720 PRESSURE: 4440200 13.5547 187.119 -92.0121 187.119 265.3 -98.6896 -92.0123 -98.6901 236.035 GPRESSURE: 4440200 81.2554 175.384 -104.06 231.95 274.527 -83.7148 -171.586 -218.4 244.711 PRESSAVG: 4440200 -30.6542 0.619064 8.53232 0.619079 -0.503107 -15.8077 8.53239 -15.8077 1.11283 GPRESSAVG: 4440200 -30.6185 0.544083 9.83494 1.06962 -0.278427 -17.748 8.08533 -15.8662 0.846482 TIMING: 4440200 CPU: 14040.7, 0.00312975/step Wall: 14040.7, 0.00312975/step, 0.486676 hours remaining, 236.625000 MB of memory in use. ENERGY: 4440200 3973.1635 20468.3001 14588.8218 248.8291 -203519.6264 2723.5771 0.0000 0.0000 51888.6416 -109628.2933 298.2047 -161516.9349 -109266.4310 298.2899 171.6301 200.1643 760772.9672 -10.0148 -10.0168 LDB: ============= START OF LOAD BALANCING ============== 14053.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14053.2 LDB: =============== DONE WITH MIGRATION ================ 14053.2 LDB: ============= START OF LOAD BALANCING ============== 14053.5 LDB: Largest compute 7078 load 0.032008 is 16.4% of average load 0.195640 LDB: Average compute 0.004383 is 2.2% of average load 0.195640 LDB: TIME 14053.6 LOAD: AVG 0.19564 MAX 0.217002 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.461 MB LDB: TIME 14053.6 LOAD: AVG 0.19564 MAX 0.217002 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.5 MB LDB: TIME 14053.6 LOAD: AVG 0.19564 MAX 0.217002 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.5 MB LDB: ============== END OF LOAD BALANCING =============== 14053.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14053.6 PRESSURE: 4440400 -203.626 -47.9396 -142.775 -47.9385 -54.9542 -49.7356 -142.775 -49.7353 -382.178 GPRESSURE: 4440400 -132.299 -10.358 -124.498 37.1097 -82.4626 -76.7654 -15.491 -11.3122 -333.647 PRESSAVG: 4440400 -37.9365 -15.4898 16.1962 -15.4898 38.876 17.8625 16.1962 17.8624 1.18017 GPRESSAVG: 4440400 -35.7884 -14.0331 16.742 -17.108 38.1496 19.3513 18.8213 17.0511 0.498432 TIMING: 4440400 CPU: 14041.3, 0.00319232/step Wall: 14041.3, 0.00319232/step, 0.496228 hours remaining, 237.707031 MB of memory in use. ENERGY: 4440400 4025.8241 20442.7733 14466.6585 237.7479 -203228.7150 2385.5037 0.0000 0.0000 52003.0412 -109667.1662 298.8622 -161670.2075 -109308.8064 299.1120 -213.5861 -182.8031 762307.1179 0.7066 0.9532 PRESSURE: 4440600 -25.904 -177.016 -68.5826 -177.017 -69.2939 55.9626 -68.5817 55.9638 170.558 GPRESSURE: 4440600 -36.3848 -144.122 -99.6021 -126.602 -63.2374 17.8189 -97.3368 119.322 238.554 PRESSAVG: 4440600 7.35349 34.1171 -8.53095 34.117 -15.0439 -1.45308 -8.53093 -1.45313 3.39421 GPRESSAVG: 4440600 3.82096 32.2789 -8.22749 35.9541 -12.436 -2.6389 -11.0269 1.32242 3.98638 TIMING: 4440600 CPU: 14042, 0.00313747/step Wall: 14042, 0.00313747/step, 0.487528 hours remaining, 237.910156 MB of memory in use. ENERGY: 4440600 3906.1142 20446.4060 14537.3337 241.5808 -203196.0008 2596.3671 0.0000 0.0000 51876.5291 -109591.6698 298.1351 -161468.1990 -109239.6888 298.5692 25.1202 46.3106 761792.4952 -1.4321 -1.5429 PRESSURE: 4440800 9.08536 -79.4592 -389.323 -79.4603 24.5699 114.028 -389.323 114.028 204.146 GPRESSURE: 4440800 45.9702 -86.117 -328.002 -89.9583 -18.8501 39.9863 -239.707 161.582 284.227 PRESSAVG: 4440800 1.64405 12.4418 -60.4176 12.4419 -2.42092 13.1089 -60.4176 13.109 10.752 GPRESSAVG: 4440800 3.42338 12.7856 -60.2491 12.8322 -5.54669 13.2552 -62.817 12.2395 11.951 TIMING: 4440800 CPU: 14042.6, 0.0031573/step Wall: 14042.6, 0.0031573/step, 0.490434 hours remaining, 237.910156 MB of memory in use. ENERGY: 4440800 4022.5880 20551.6694 14557.1265 263.4045 -203402.5799 2640.9415 0.0000 0.0000 51646.9810 -109719.8689 296.8159 -161366.8499 -109360.1355 298.8723 79.2670 103.7822 761686.8535 3.3250 3.2759 PRESSURE: 4441000 190.601 71.1081 -18.2076 71.1082 15.7468 346.106 -18.2071 346.107 28.045 GPRESSURE: 4441000 200.135 74.096 -143.338 90.8914 54.1547 372.987 -19.4657 179.669 68.6645 PRESSAVG: 4441000 -4.44959 -25.2011 -48.1367 -25.2011 27.7853 35.7778 -48.1367 35.7778 -9.7729 GPRESSAVG: 4441000 -3.6907 -26.6892 -49.1254 -26.319 27.8589 35.8896 -46.4493 33.6713 -10.631 TIMING: 4441000 CPU: 14043.2, 0.00316163/step Wall: 14043.2, 0.00316163/step, 0.490931 hours remaining, 237.910156 MB of memory in use. ENERGY: 4441000 3992.4654 20480.7181 14511.4529 242.8141 -203296.3746 2567.7872 0.0000 0.0000 52164.8571 -109336.2798 299.7922 -161501.1369 -108971.7669 298.9045 78.1309 107.6514 760204.3272 4.5209 4.5124 PRESSURE: 4441200 27.513 -47.4755 271.43 -47.4758 171.129 59.785 271.431 59.7858 183.482 GPRESSURE: 4441200 55.0208 23.7235 270.138 -43.2281 182.194 71.8919 210.174 127.917 222.4 PRESSAVG: 4441200 35.424 -9.60503 -21.712 -9.60502 -43.2861 10.3362 -21.7121 10.3362 -12.7992 GPRESSAVG: 4441200 34.0617 -10.9386 -22.6911 -7.08649 -40.304 8.66146 -23.0184 12.3195 -13.9993 TIMING: 4441200 CPU: 14043.9, 0.00313419/step Wall: 14043.9, 0.00313419/step, 0.486497 hours remaining, 237.910156 MB of memory in use. ENERGY: 4441200 3980.9619 20491.1379 14580.5389 258.1109 -203257.6836 2617.4089 0.0000 0.0000 51937.4047 -109392.1204 298.4850 -161329.5251 -109022.8334 299.5045 127.3748 153.2050 762801.0418 -6.8871 -6.7472 PRESSURE: 4441400 -33.3793 37.1165 -32.3925 37.1169 452.175 97.4307 -32.3926 97.4313 95.0556 GPRESSURE: 4441400 -34.4562 35.3984 -19.4246 66.5614 418.092 83.1561 -31.9556 135.712 181.273 PRESSAVG: 4441400 -21.6457 -53.6496 -13.7482 -53.6496 46.8188 4.96811 -13.7482 4.96805 5.35455 GPRESSAVG: 4441400 -19.804 -51.7191 -13.3673 -56.1954 44.5204 5.24143 -10.7189 5.03673 5.50092 TIMING: 4441400 CPU: 14044.5, 0.00314072/step Wall: 14044.5, 0.00314072/step, 0.487335 hours remaining, 237.910156 MB of memory in use. ENERGY: 4441400 3994.2114 20511.8647 14543.8165 260.0456 -203361.2346 2711.5927 0.0000 0.0000 51964.0041 -109375.6996 298.6378 -161339.7037 -109007.0003 299.1034 171.2839 188.3030 761537.7445 10.1759 10.0724 PRESSURE: 4441600 328.574 145.549 -37.626 145.549 179.888 -47.0192 -37.6261 -47.0189 8.76989 GPRESSURE: 4441600 270.648 187.314 -48.4936 197.724 294.569 -194.447 15.3735 -2.19962 21.863 PRESSAVG: 4441600 -49.371 -51.7285 -29.1916 -51.7285 33.3722 -34.3642 -29.1916 -34.3642 -19.1283 GPRESSAVG: 4441600 -50.5851 -51.0056 -28.6195 -50.3069 34.423 -32.852 -32.7281 -36.4025 -18.9536 TIMING: 4441600 CPU: 14045.1, 0.00313569/step Wall: 14045.1, 0.00313569/step, 0.48638 hours remaining, 237.910156 MB of memory in use. ENERGY: 4441600 4025.7384 20539.9024 14549.1248 266.0413 -203339.9628 2688.0160 0.0000 0.0000 51989.2636 -109281.8764 298.7830 -161271.1400 -108927.3383 299.3977 172.4106 195.6933 762006.6605 -11.7090 -11.7052 PRESSURE: 4441800 208.326 32.561 151.347 32.5606 438.535 60.1434 151.347 60.1437 203.031 GPRESSURE: 4441800 277.279 -121.529 47.7361 10.4723 421.991 98.9327 212.584 155.133 226.144 PRESSAVG: 4441800 8.73243 10.8392 1.24513 10.8392 4.2418 -1.35562 1.24512 -1.35565 -1.00612 GPRESSAVG: 4441800 9.60682 8.94812 1.05493 11.4476 3.67816 -2.49218 4.39528 0.711628 -1.25397 TIMING: 4441800 CPU: 14045.7, 0.00311136/step Wall: 14045.7, 0.00311136/step, 0.482434 hours remaining, 237.910156 MB of memory in use. ENERGY: 4441800 3990.7935 20859.4043 14595.7193 237.7140 -204103.1875 3092.6803 0.0000 0.0000 52129.5467 -109197.3294 299.5892 -161326.8762 -108833.8986 299.2517 283.2977 308.4712 761751.4455 3.9894 4.0103 PRESSURE: 4442000 21.7264 35.0094 68.1657 35.0088 33.1415 -270.85 68.1667 -270.849 -278.667 GPRESSURE: 4442000 33.0645 84.6378 69.384 46.0483 125.374 -251.449 3.60219 -148.378 -300.003 PRESSAVG: 4442000 23.1196 -0.9497 9.56133 -0.949723 -25.9407 -4.18633 9.56134 -4.18632 -7.92335 GPRESSAVG: 4442000 22.4919 -0.0451428 9.16415 0.0684597 -26.6974 -2.83086 8.35612 -1.97967 -6.51855 TIMING: 4442000 CPU: 14046.4, 0.00313249/step Wall: 14046.4, 0.00313249/step, 0.485536 hours remaining, 237.910156 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: 4442000 4017.5125 20506.6897 14527.2561 266.7511 -203872.7727 2950.4183 0.0000 0.0000 52462.7471 -109141.3978 301.5041 -161604.1449 -108784.2389 299.6009 -74.5996 -47.1882 761703.3476 -3.5815 -3.5747 PRESSURE: 4442200 -70.5085 -89.9105 247.76 -89.9102 -0.209677 -277.016 247.761 -277.016 -226.393 GPRESSURE: 4442200 -101.074 -47.3802 227.718 -82.7065 89.591 -186.646 257.883 -241.694 -213.596 PRESSAVG: 4442200 -23.536 1.74242 73.3397 1.7424 -23.4953 27.8062 73.3397 27.8062 -4.08934 GPRESSAVG: 4442200 -23.9561 2.76352 73.2321 0.811028 -22.3058 27.8871 72.4586 25.8387 -5.1061 TIMING: 4442200 CPU: 14047, 0.00312327/step Wall: 14047, 0.00312327/step, 0.483933 hours remaining, 237.910156 MB of memory in use. ENERGY: 4442200 3957.0729 20476.2397 14586.9111 247.6993 -203243.7929 2867.3761 0.0000 0.0000 52169.6309 -108938.8629 299.8196 -161108.4939 -108563.9264 300.0229 -99.0372 -75.0264 763529.0715 -17.0402 -17.1227 PRESSURE: 4442400 -19.3729 19.8865 -139.854 19.887 -400.995 9.85173 -139.854 9.85032 -344.034 GPRESSURE: 4442400 -84.2587 -16.0235 -66.5368 -71.1422 -303.99 10.9581 -222.684 -8.55692 -286.3 PRESSAVG: 4442400 3.89626 22.7613 -4.74791 22.7613 -19.9534 21.5307 -4.74794 21.5308 30.8507 GPRESSAVG: 4442400 3.94023 21.8694 -5.02023 21.3836 -19.039 20.8469 -5.28483 20.7266 30.914 TIMING: 4442400 CPU: 14047.6, 0.0031269/step Wall: 14047.6, 0.0031269/step, 0.484322 hours remaining, 237.910156 MB of memory in use. ENERGY: 4442400 3996.3548 20590.0378 14510.3957 230.5985 -203164.9699 2763.6925 0.0000 0.0000 52105.6408 -108968.2499 299.4518 -161073.8906 -108606.4923 299.9371 -254.8005 -224.8495 763422.8884 4.9312 5.2717 PRESSURE: 4442600 -23.477 -123.428 2.60138 -123.427 15.6276 -10.7562 2.60225 -10.7561 -96.1329 GPRESSURE: 4442600 70.7347 -94.1213 31.3724 -185.946 34.9537 -13.1196 73.7741 72.7331 -128.57 PRESSAVG: 4442600 -22.9024 17.6633 32.8465 17.6634 15.6947 13.5926 32.8465 13.5925 -35.9207 GPRESSAVG: 4442600 -21.9283 18.3858 32.2053 17.4454 14.4367 14.7085 34.5015 13.8333 -35.5276 TIMING: 4442600 CPU: 14048.2, 0.00314785/step Wall: 14048.2, 0.00314785/step, 0.487392 hours remaining, 237.910156 MB of memory in use. ENERGY: 4442600 3985.8318 20609.0878 14533.7253 232.9876 -203561.1742 2759.9936 0.0000 0.0000 52563.8765 -108875.6715 302.0853 -161439.5480 -108514.5774 299.4412 -34.6607 -7.6273 763440.6526 -14.3761 -14.3397 PRESSURE: 4442800 245.577 -67.0637 -85.7535 -67.0632 -228.431 -326.117 -85.7535 -326.117 -55.1673 GPRESSURE: 4442800 286.432 -114.064 10.4141 -79.1655 -138.486 -409.569 45.9901 -281.116 -72.7349 PRESSAVG: 4442800 -37.9552 -44.1345 55.7663 -44.1346 46.4243 15.3053 55.7663 15.3053 12.4896 GPRESSAVG: 4442800 -38.5939 -44.8047 56.4463 -40.2588 46.8727 13.3025 55.3918 16.5034 12.8989 TIMING: 4442800 CPU: 14048.9, 0.00312533/step Wall: 14048.9, 0.00312533/step, 0.483731 hours remaining, 237.910156 MB of memory in use. ENERGY: 4442800 3962.7855 20631.1953 14579.8955 239.2110 -203251.1518 2851.1390 0.0000 0.0000 52018.1378 -108968.7877 298.9490 -160986.9255 -108609.4400 300.0463 -12.6736 25.0703 763768.3678 6.9862 7.0592 PRESSURE: 4443000 238.548 150.875 173.108 150.875 -397.936 159.941 173.109 159.942 -9.21197 GPRESSURE: 4443000 179.953 190.743 155.954 7.76363 -339.307 151.105 145.131 146.464 64.6108 PRESSAVG: 4443000 -2.65832 -1.04931 0.727341 -1.04928 23.318 66.2831 0.727343 66.2831 7.35413 GPRESSAVG: 4443000 -2.21874 -1.75622 2.43621 -4.76968 24.4587 67.3486 -1.19894 65.2929 6.14504 TIMING: 4443000 CPU: 14049.5, 0.00313751/step Wall: 14049.5, 0.00313751/step, 0.485443 hours remaining, 237.910156 MB of memory in use. ENERGY: 4443000 4029.4666 20555.9024 14521.8373 263.3813 -203283.7822 2674.7893 0.0000 0.0000 52152.6227 -109085.7826 299.7218 -161238.4053 -108722.0041 299.7683 -56.1999 -31.5808 763562.1681 9.3379 9.4617 PRESSURE: 4443200 -80.3626 -23.4175 -11.7631 -23.417 96.7404 -193.766 -11.7636 -193.766 -52.5345 GPRESSURE: 4443200 -75.05 17.0491 27.8765 100.009 187.271 -258.147 57.3971 -25.9012 -73.3459 PRESSAVG: 4443200 -23.9349 13.8143 -31.0343 13.8142 20.3584 6.29753 -31.0344 6.29759 15.4498 GPRESSAVG: 4443200 -24.4157 16.3118 -29.4869 13.6912 20.0649 6.09078 -28.787 6.69895 16.3857 TIMING: 4443200 CPU: 14050.1, 0.00314018/step Wall: 14050.1, 0.00314018/step, 0.485681 hours remaining, 237.910156 MB of memory in use. ENERGY: 4443200 4021.5469 20629.4617 14578.5830 254.8449 -203185.9898 2594.0826 0.0000 0.0000 52121.7265 -108985.7442 299.5443 -161107.4706 -108635.9152 299.8232 -12.0522 12.9582 763128.4903 3.9578 4.0116 PRESSURE: 4443400 287.509 46.6381 225.363 46.6386 119.496 -7.97779 225.362 -7.97811 230.077 GPRESSURE: 4443400 304.164 122.584 187.772 9.79011 206.825 48.7488 216.293 103.623 203.112 PRESSAVG: 4443400 21.9214 9.78961 25.2784 9.78961 -10.0675 -21.6018 25.2783 -21.6018 -12.2153 GPRESSAVG: 4443400 21.6478 10.2873 23.2684 8.85662 -10.2507 -20.0953 22.2939 -20.7325 -12.1392 TIMING: 4443400 CPU: 14050.7, 0.00311393/step Wall: 14050.7, 0.00311393/step, 0.481448 hours remaining, 237.910156 MB of memory in use. ENERGY: 4443400 3899.9631 20561.1796 14551.2495 242.3351 -203332.7123 2808.9920 0.0000 0.0000 52325.5517 -108943.4413 300.7157 -161268.9930 -108580.1509 299.6877 212.3605 238.0338 761036.5290 -0.1205 -0.2474 PRESSURE: 4443600 -106.027 -45.3042 -87.2107 -45.3051 -282.008 -132.618 -87.2111 -132.618 -217.478 GPRESSURE: 4443600 -97.7071 -95.0665 -203.345 -55.766 -298.424 -217.343 -137.598 -89.4015 -144.091 PRESSAVG: 4443600 4.47693 -3.17445 8.38919 -3.17445 0.523334 6.74384 8.38911 6.74372 -4.67886 GPRESSAVG: 4443600 5.18875 -5.95732 8.4128 -0.276413 0.868813 4.92733 9.91712 8.75628 -5.29465 TIMING: 4443600 CPU: 14051.4, 0.00312334/step Wall: 14051.4, 0.00312334/step, 0.48273 hours remaining, 237.910156 MB of memory in use. ENERGY: 4443600 3963.1220 20456.7752 14480.0341 239.2304 -202922.9026 2578.9751 0.0000 0.0000 52093.7979 -109110.9680 299.3838 -161204.7659 -108746.9994 300.0332 -201.8378 -180.0742 762673.2167 0.1071 0.2543 PRESSURE: 4443800 174.407 -192.442 -77.2968 -192.442 -269.449 -44.9624 -77.2965 -44.9623 -314.168 GPRESSURE: 4443800 243.476 -170.518 -50.4325 -84.764 -206.065 -4.97323 -75.4414 -102.589 -361.445 PRESSAVG: 4443800 46.7342 13.3687 4.65131 13.3687 -44.0363 -15.4288 4.65136 -15.4288 -5.8833 GPRESSAVG: 4443800 47.5593 14.1709 5.6009 11.1762 -44.5981 -13.1224 4.20026 -19.0241 -6.232 TIMING: 4443800 CPU: 14052, 0.00311482/step Wall: 14052, 0.00311482/step, 0.481239 hours remaining, 237.910156 MB of memory in use. ENERGY: 4443800 3970.3967 20488.5737 14542.9386 232.4031 -202869.1225 2400.6995 0.0000 0.0000 52003.1340 -109230.9769 298.8627 -161234.1109 -108865.9982 298.7674 -136.4031 -108.0116 763757.6290 -1.0618 -1.0903 PRESSURE: 4444000 -9.64298 72.825 -63.3322 72.8245 -69.3596 -261.425 -63.3328 -261.424 264.824 GPRESSURE: 4444000 4.23126 76.6114 48.6938 23.8496 52.0544 -299.446 -76.3333 -113.455 208.589 PRESSAVG: 4444000 77.729 16.6442 7.98256 16.6442 -40.7582 -38.4948 7.98253 -38.4948 -20.6785 GPRESSAVG: 4444000 76.7527 16.5241 7.43052 16.2437 -40.5562 -39.8998 11.243 -38.7304 -19.9427 TIMING: 4444000 CPU: 14052.6, 0.00312677/step Wall: 14052.6, 0.00312677/step, 0.482912 hours remaining, 237.910156 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: 4444000 4025.2970 20703.2721 14502.3074 250.7612 -203533.8151 2712.5790 0.0000 0.0000 52098.2495 -109241.3488 299.4094 -161339.5983 -108877.9474 299.3583 61.9403 88.2916 761325.2831 5.4308 5.4179 PRESSURE: 4444200 263.965 -18.2889 -57.1411 -18.2889 12.4616 391.41 -57.1402 391.411 462.481 GPRESSURE: 4444200 277.364 5.02962 -40.4883 -33.2378 15.652 437.805 -95.3981 374.491 519.585 PRESSAVG: 4444200 -15.147 35.7029 -39.7944 35.7028 -7.92475 1.38026 -39.7944 1.38036 8.81595 GPRESSAVG: 4444200 -15.3202 35.9113 -39.3112 36.3988 -9.19109 1.36225 -42.6258 0.934046 10.1642 TIMING: 4444200 CPU: 14053.2, 0.00313442/step Wall: 14053.2, 0.00313442/step, 0.483919 hours remaining, 237.910156 MB of memory in use. ENERGY: 4444200 4047.4593 20679.4834 14561.5255 236.7939 -203638.6756 2936.5693 0.0000 0.0000 52082.1297 -109094.7144 299.3167 -161176.8441 -108727.8468 299.6898 246.3027 270.8668 761557.1047 -4.7519 -4.7824 LDB: ============= START OF LOAD BALANCING ============== 14065.8 LDB: ============== END OF LOAD BALANCING =============== 14065.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14065.8 LDB: ============= START OF LOAD BALANCING ============== 14066.1 LDB: Largest compute 7078 load 0.036346 is 18.6% of average load 0.195573 LDB: Average compute 0.004392 is 2.2% of average load 0.195573 LDB: TIME 14066.1 LOAD: AVG 0.195573 MAX 0.214572 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.793 MB LDB: TIME 14066.1 LOAD: AVG 0.195573 MAX 0.214572 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237 MB LDB: TIME 14066.1 LOAD: AVG 0.195573 MAX 0.214572 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237 MB LDB: ============== END OF LOAD BALANCING =============== 14066.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14066.1 PRESSURE: 4444400 -166.917 -22.6601 11.2607 -22.6607 100.35 -12.0856 11.2609 -12.0858 -206.74 GPRESSURE: 4444400 -108.616 -63.052 57.9659 46.6612 64.5312 -38.2252 -77.9816 43.4004 -147.456 PRESSAVG: 4444400 -28.2839 14.2107 8.31377 14.2106 10.3194 -5.78523 8.31378 -5.78525 3.5105 GPRESSAVG: 4444400 -27.5283 13.8353 6.41651 15.0179 9.67799 -7.09356 7.63464 -3.32124 3.43574 TIMING: 4444400 CPU: 14053.9, 0.00322737/step Wall: 14053.9, 0.00322737/step, 0.498091 hours remaining, 235.191406 MB of memory in use. ENERGY: 4444400 4061.8147 20618.4887 14585.0896 233.1305 -203619.6995 2718.7151 0.0000 0.0000 52257.8336 -109144.6273 300.3265 -161402.4609 -108781.0278 300.3499 -91.1022 -63.8469 761759.6361 -4.8180 -4.8049 PRESSURE: 4444600 5.25224 -100.827 25.3373 -100.827 139.123 -64.5559 25.3378 -64.5554 133.062 GPRESSURE: 4444600 57.4425 -112.696 82.3225 -159.93 139.604 -10.5622 158.628 -81.5917 158.334 PRESSAVG: 4444600 -24.2492 -8.21377 9.62089 -8.21376 36.9007 -13.3553 9.62085 -13.3553 10.7193 GPRESSAVG: 4444600 -25.6411 -8.56354 11.039 -9.80488 38.03 -12.5221 10.2199 -15.6717 10.5649 TIMING: 4444600 CPU: 14054.5, 0.00314661/step Wall: 14054.5, 0.00314661/step, 0.485452 hours remaining, 235.394531 MB of memory in use. ENERGY: 4444600 4009.6180 20452.0206 14578.8653 249.2733 -203366.5999 2606.1969 0.0000 0.0000 52301.0811 -109169.5449 300.5750 -161470.6259 -108802.4534 299.8836 92.4791 118.4604 761074.1996 7.7902 7.6513 PRESSURE: 4444800 -464.087 144.524 7.3867 144.523 -199.742 39.7857 7.3873 39.786 -380.684 GPRESSURE: 4444800 -405.981 147.949 19.9482 221.83 -196.886 -20.1788 -25.7489 -18.1829 -348.413 PRESSAVG: 4444800 38.6662 26.8014 4.66534 26.8014 5.82474 10.9479 4.66532 10.948 4.16645 GPRESSAVG: 4444800 39.2914 28.7048 5.2153 26.6685 5.99227 10.7896 4.02494 11.2676 3.21241 TIMING: 4444800 CPU: 14055.1, 0.00313713/step Wall: 14055.1, 0.00313713/step, 0.483815 hours remaining, 235.394531 MB of memory in use. ENERGY: 4444800 3983.3089 20506.6880 14527.6161 238.7961 -203352.1791 2701.5241 0.0000 0.0000 52276.3839 -109117.8620 300.4331 -161394.2459 -108756.0693 299.8941 -348.1711 -317.0935 761953.1645 16.2191 16.1654 PRESSURE: 4445000 -89.0988 -65.3319 -25.7604 -65.3322 -359.32 -43.8254 -25.7599 -43.8252 48.806 GPRESSURE: 4445000 -139.158 38.2821 -2.97585 -100.848 -208.558 -5.94067 -170.623 -85.175 28.7413 PRESSAVG: 4445000 4.14062 -15.433 -18.9873 -15.4331 60.2643 35.733 -18.9873 35.733 1.2095 GPRESSAVG: 4445000 4.37413 -17.2951 -17.9126 -16.0032 59.6636 33.6911 -20.9848 36.3586 1.95029 TIMING: 4445000 CPU: 14055.8, 0.00316811/step Wall: 14055.8, 0.00316811/step, 0.488417 hours remaining, 235.394531 MB of memory in use. ENERGY: 4445000 4066.8882 20577.8035 14548.8650 248.7409 -203107.9951 2538.7382 0.0000 0.0000 52105.2708 -109021.6885 299.4497 -161126.9594 -108663.5420 299.8126 -133.2041 -106.3246 764085.2388 21.8715 21.9960 PRESSURE: 4445200 311.2 6.78194 -146.661 6.78119 -9.29633 170.954 -146.661 170.955 131.415 GPRESSURE: 4445200 218.935 10.3749 -186.699 -3.86894 97.764 197.689 -132.708 23.2884 204.987 PRESSAVG: 4445200 21.3607 -22.3289 -25.9011 -22.3289 -21.2947 -3.37623 -25.9011 -3.37618 -12.7809 GPRESSAVG: 4445200 20.915 -21.3667 -27.29 -22.3027 -19.726 -2.47382 -23.4734 -5.4943 -13.2342 TIMING: 4445200 CPU: 14056.4, 0.00312721/step Wall: 14056.4, 0.00312721/step, 0.481937 hours remaining, 235.394531 MB of memory in use. ENERGY: 4445200 3977.4262 20375.1440 14527.8013 245.3470 -203317.3671 2690.3021 0.0000 0.0000 52125.4703 -109375.8762 299.5658 -161501.3465 -109012.2280 299.3933 144.4396 173.8952 761658.7096 -4.2383 -4.0151 PRESSURE: 4445400 -145.25 -118.271 89.391 -118.27 -100.352 -114.925 89.3922 -114.925 -51.3534 GPRESSURE: 4445400 -115.234 -96.4964 95.4256 -163.389 -89.2022 -127.536 228.131 -60.4487 -5.45638 PRESSAVG: 4445400 -7.52908 -57.8623 -8.49812 -57.8622 39.6467 21.706 -8.49814 21.7061 -4.26123 GPRESSAVG: 4445400 -7.20318 -55.499 -8.56146 -60.5311 39.3596 22.0397 -7.73977 24.4672 -4.58253 TIMING: 4445400 CPU: 14057, 0.00314035/step Wall: 14057, 0.00314035/step, 0.483788 hours remaining, 235.394531 MB of memory in use. ENERGY: 4445400 3980.3179 20443.7340 14573.3820 250.4840 -203423.5689 2635.5616 0.0000 0.0000 51868.4511 -109671.6383 298.0887 -161540.0894 -109324.1468 298.8971 -98.9851 -69.9640 760583.4447 9.2855 9.1913 PRESSURE: 4445600 -376.729 97.2701 -9.9849 97.2693 -323.43 155.443 -9.9851 155.444 -433.822 GPRESSURE: 4445600 -395.472 97.8143 -35.1037 117.074 -252.534 205.781 -7.30125 90.2742 -391.64 PRESSAVG: 4445600 0.251234 -18.9792 -34.2451 -18.9792 11.9232 42.6778 -34.2452 42.6778 -2.26019 GPRESSAVG: 4445600 0.296947 -20.8099 -33.4354 -16.3572 12.3338 42.7392 -35.1687 40.4198 -2.37319 TIMING: 4445600 CPU: 14057.7, 0.00313519/step Wall: 14057.7, 0.00313519/step, 0.482819 hours remaining, 235.394531 MB of memory in use. ENERGY: 4445600 4006.2887 20346.6126 14477.9676 246.3002 -203078.2549 2529.3050 0.0000 0.0000 51930.2740 -109541.5067 298.4440 -161471.7808 -109179.5235 298.6617 -377.9939 -346.5485 762657.4028 3.3047 3.4192 PRESSURE: 4445800 89.1939 89.6864 97.0366 89.6865 -197.652 -60.1511 97.0376 -60.1504 98.528 GPRESSURE: 4445800 52.6948 69.5216 57.3221 128.655 -81.0901 -6.49055 107.937 35.5782 110.321 PRESSAVG: 4445800 -28.2577 4.45911 6.52488 4.45905 28.497 9.25015 6.52491 9.25017 1.02765 GPRESSAVG: 4445800 -28.0548 4.86385 6.66633 4.12242 27.5761 8.76916 4.64472 9.77533 1.54202 TIMING: 4445800 CPU: 14058.3, 0.00314892/step Wall: 14058.3, 0.00314892/step, 0.484759 hours remaining, 235.394531 MB of memory in use. ENERGY: 4445800 4012.4837 20394.7584 14523.3900 240.4177 -203477.2688 2773.0196 0.0000 0.0000 51823.9439 -109709.2555 297.8329 -161533.1994 -109346.0830 298.3805 -3.3102 27.3086 761229.9645 0.4223 0.3545 PRESSURE: 4446000 189.541 254.321 -17.4267 254.32 147.183 192.056 -17.4265 192.055 522.908 GPRESSURE: 4446000 210.108 281.595 -122.442 167.861 278.303 187.312 148.666 51.9968 455.944 PRESSAVG: 4446000 -0.423861 27.6991 42.1772 27.6991 7.65019 -36.3683 42.1772 -36.3683 -2.65929 GPRESSAVG: 4446000 -0.157819 26.0106 41.274 29.4188 9.14548 -35.7009 43.9211 -34.2 -3.76564 TIMING: 4446000 CPU: 14058.9, 0.00311061/step Wall: 14058.9, 0.00311061/step, 0.478689 hours remaining, 235.394531 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: 4446000 3967.1341 20471.7938 14507.2095 248.3271 -203711.1883 2851.2758 0.0000 0.0000 51926.5764 -109738.8716 298.4227 -161665.4481 -109377.2165 298.7255 286.5438 314.7850 760021.1585 1.5223 1.7407 PRESSURE: 4446200 163.44 91.5107 108.582 91.5107 155.459 -39.6455 108.583 -39.6456 -227.253 GPRESSURE: 4446200 158.39 51.9843 193.401 71.0195 85.6085 -59.2355 106.859 -52.4525 -86.4493 PRESSAVG: 4446200 34.752 -11.2217 49.8498 -11.2216 -30.4635 48.5182 49.8498 48.5182 -22.2694 GPRESSAVG: 4446200 34.7561 -10.4414 49.2974 -11.2662 -31.6591 47.0293 50.8761 47.6242 -20.8398 TIMING: 4446200 CPU: 14059.5, 0.00313393/step Wall: 14059.5, 0.00313393/step, 0.482103 hours remaining, 235.394531 MB of memory in use. ENERGY: 4446200 4016.3413 20357.3601 14492.4812 253.5614 -203560.9922 2622.7834 0.0000 0.0000 52120.1563 -109698.3085 299.5353 -161818.4648 -109328.9993 298.6692 30.5488 52.5165 762143.3776 -5.9936 -5.9143 PRESSURE: 4446400 39.6534 -42.2131 -165.01 -42.213 -187.611 34.9558 -165.01 34.9557 -252.294 GPRESSURE: 4446400 130.761 -29.0963 -152.89 44.6087 -116.588 136.303 -178.841 7.8259 -330.921 PRESSAVG: 4446400 -11.4097 -40.8506 -26.158 -40.8505 -33.9039 20.751 -26.1581 20.7509 -32.0319 GPRESSAVG: 4446400 -11.7953 -39.3066 -24.0785 -42.2328 -33.3016 21.5157 -28.673 20.4142 -32.6414 TIMING: 4446400 CPU: 14060.2, 0.00314388/step Wall: 14060.2, 0.00314388/step, 0.483459 hours remaining, 235.394531 MB of memory in use. ENERGY: 4446400 4089.1190 20498.4240 14455.8168 239.8243 -203634.1736 2486.2538 0.0000 0.0000 52062.9490 -109801.7866 299.2065 -161864.7356 -109430.8453 298.5041 -133.4172 -105.5827 760093.8622 -25.7818 -25.9128 PRESSURE: 4446600 68.2259 3.78051 15.3095 3.78078 -237.422 -79.5202 15.3098 -79.5199 186.72 GPRESSURE: 4446600 73.0631 -105.003 -8.96745 -3.51809 -186.338 -116.907 62.6393 -12.5122 224.805 PRESSAVG: 4446600 9.26601 -38.0776 -13.3364 -38.0775 -7.95789 17.9587 -13.3365 17.9587 19.8291 GPRESSAVG: 4446600 9.39566 -38.025 -14.5422 -40.3746 -6.88552 17.4141 -9.86631 17.0192 18.7178 TIMING: 4446600 CPU: 14060.8, 0.00316565/step Wall: 14060.8, 0.00316565/step, 0.486631 hours remaining, 235.394531 MB of memory in use. ENERGY: 4446600 4010.6236 20485.9636 14510.4830 250.3921 -203287.3766 2396.7228 0.0000 0.0000 52002.3375 -109630.8540 298.8581 -161633.1915 -109267.3009 298.8081 5.8415 37.1769 761638.3246 7.0457 7.0760 PRESSURE: 4446800 293.009 -121.557 248.571 -121.557 -141.33 34.5537 248.571 34.5541 -326.055 GPRESSURE: 4446800 321.939 -75.1276 203.424 -19.274 -120.685 57.5407 396.213 43.4117 -289.579 PRESSAVG: 4446800 53.1521 -5.13272 9.47318 -5.1327 -76.9852 37.3595 9.47316 37.3595 -4.07259 GPRESSAVG: 4446800 53.3261 -4.90647 9.48064 -1.84785 -78.5896 37.5115 7.70178 37.8431 -2.3554 TIMING: 4446800 CPU: 14061.4, 0.00316605/step Wall: 14061.4, 0.00316605/step, 0.486517 hours remaining, 235.394531 MB of memory in use. ENERGY: 4446800 4003.8804 20535.9077 14521.0584 251.6770 -203172.0923 2310.3269 0.0000 0.0000 52042.6624 -109506.5795 299.0899 -161549.2419 -109149.7614 298.9128 -58.1251 -29.4418 760469.4160 -9.3019 -9.2063 PRESSURE: 4447000 -182.893 32.3789 -311.698 32.3784 163.742 -39.7759 -311.699 -39.7751 -308.268 GPRESSURE: 4447000 -40.9011 -94.9454 -251.722 77.9708 165.776 -108.978 -281.387 -15.3635 -382.215 PRESSAVG: 4447000 54.7339 -66.0005 -4.80727 -66.0004 -36.8588 12.7891 -4.80733 12.7891 6.50501 GPRESSAVG: 4447000 55.2424 -66.2601 -3.81184 -66.3009 -38.3248 12.7475 -5.35821 10.9607 6.8319 TIMING: 4447000 CPU: 14062.1, 0.00315352/step Wall: 14062.1, 0.00315352/step, 0.484416 hours remaining, 235.394531 MB of memory in use. ENERGY: 4447000 3983.3174 20469.4574 14482.3518 246.7030 -203475.6277 2620.3601 0.0000 0.0000 52264.8188 -109408.6191 300.3666 -161673.4380 -109042.8692 298.7452 -109.1398 -85.7799 761205.1023 8.1267 7.9165 PRESSURE: 4447200 -116.615 -3.77089 -51.7279 -3.77039 -542.979 8.15192 -51.7281 8.15111 -244.133 GPRESSURE: 4447200 -122.677 -121.952 -126.073 47.9842 -450.12 6.13337 -67.6544 148.213 -245.517 PRESSAVG: 4447200 -24.237 -55.2581 -12.8384 -55.2581 -30.4892 -6.19229 -12.8384 -6.19233 -17.8834 GPRESSAVG: 4447200 -24.717 -56.6497 -14.0533 -56.0481 -28.5612 -4.68287 -13.2702 -6.00131 -19.3278 TIMING: 4447200 CPU: 14062.7, 0.00315128/step Wall: 14062.7, 0.00315128/step, 0.483896 hours remaining, 235.394531 MB of memory in use. ENERGY: 4447200 4030.8878 20492.8128 14424.5686 254.8518 -203428.0369 2539.4573 0.0000 0.0000 52251.2827 -109434.1759 300.2888 -161685.4586 -109069.6535 299.1575 -301.2423 -272.7710 761792.9833 -24.2032 -24.2020 PRESSURE: 4447400 -270.186 -64.4175 -83.9419 -64.4178 86.2044 205.375 -83.9418 205.376 -70.2504 GPRESSURE: 4447400 -208.884 -30.9771 -107.093 -214.828 114.92 213.628 -10.7607 234.48 -73.0983 PRESSAVG: 4447400 -13.3695 -75.6717 -41.3877 -75.6717 -31.2768 9.45815 -41.3877 9.4582 7.59397 GPRESSAVG: 4447400 -14.1309 -75.4508 -41.8104 -75.1291 -32.2079 7.59133 -40.3923 8.28855 9.38227 TIMING: 4447400 CPU: 14063.3, 0.00315227/step Wall: 14063.3, 0.00315227/step, 0.483874 hours remaining, 235.394531 MB of memory in use. ENERGY: 4447400 4000.5546 20454.7135 14495.3528 230.2876 -203602.2691 2876.5037 0.0000 0.0000 52053.8565 -109491.0003 299.1542 -161544.8568 -109120.4341 299.3086 -84.7438 -55.6876 761388.7055 -12.3508 -12.3189 PRESSURE: 4447600 -492.93 203.095 -29.4297 203.096 -392.18 -60.9703 -29.4296 -60.9707 100.142 GPRESSURE: 4447600 -431.025 27.1701 -21.6836 256.143 -269.248 -62.4886 -42.9216 -40.7014 -13.0163 PRESSAVG: 4447600 27.1911 -1.74059 -61.3454 -1.74058 -7.01874 43.2689 -61.3454 43.2689 19.4322 GPRESSAVG: 4447600 27.4589 -2.46468 -60.6816 -2.07036 -7.23248 43.5551 -61.8438 46.516 18.6927 TIMING: 4447600 CPU: 14064, 0.0031557/step Wall: 14064, 0.0031557/step, 0.484224 hours remaining, 235.394531 MB of memory in use. ENERGY: 4447600 3942.9812 20500.8456 14478.2080 246.4011 -203397.1536 2583.1734 0.0000 0.0000 51826.9499 -109818.5944 297.8502 -161645.5442 -109466.4247 298.3025 -261.6559 -237.7631 761051.2160 13.2015 12.9730 PRESSURE: 4447800 310.024 -177.708 45.1441 -177.708 -231.404 -43.8623 45.1443 -43.8639 154.661 GPRESSURE: 4447800 313.293 -109.687 43.4099 -198.535 -151.124 -130.186 -20.236 -97.77 139.599 PRESSAVG: 4447800 6.22565 -16.0529 -19.3741 -16.053 -28.4167 -59.9904 -19.3741 -59.9905 5.24159 GPRESSAVG: 4447800 6.11969 -16.2398 -19.5606 -16.2492 -28.802 -58.9413 -20.2916 -61.7726 5.80718 TIMING: 4447800 CPU: 14064.6, 0.00313479/step Wall: 14064.6, 0.00313479/step, 0.480842 hours remaining, 235.394531 MB of memory in use. ENERGY: 4447800 3978.7649 20612.2449 14488.2368 254.5151 -203993.7212 2810.4215 0.0000 0.0000 51984.3827 -109865.1552 298.7550 -161849.5379 -109499.8064 298.1679 77.7603 100.5890 760536.2747 -5.6498 -5.6250 PRESSURE: 4448000 -195.856 -220.273 -42.539 -220.274 281.017 50.5204 -42.5387 50.5197 197.478 GPRESSURE: 4448000 -150.367 -236.889 -62.372 -75.052 345.23 51.9203 -32.7747 -62.7162 169.37 PRESSAVG: 4448000 9.77399 -13.3248 19.5389 -13.3247 32.2591 13.0287 19.5389 13.0287 4.55651 GPRESSAVG: 4448000 9.49905 -11.7355 18.9711 -11.1471 32.7229 11.3487 20.5793 12.4964 4.1855 TIMING: 4448000 CPU: 14065.2, 0.00312864/step Wall: 14065.2, 0.00312864/step, 0.479724 hours remaining, 235.394531 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: 4448000 3994.2140 20399.5313 14527.9714 241.6965 -203808.6146 2885.3917 0.0000 0.0000 51990.4782 -109769.3314 298.7900 -161759.8096 -109404.4068 298.3994 94.2130 121.4108 759777.1723 15.5299 15.4691 PRESSURE: 4448200 338.212 185.015 178.503 185.016 116.286 -97.0166 178.504 -97.0157 249.962 GPRESSURE: 4448200 337.787 203.541 140.683 214.806 132.04 -122.302 232.937 152.289 305.545 PRESSAVG: 4448200 10.419 -0.103427 37.895 -0.103466 -13.2257 -1.95394 37.895 -1.95396 6.93163 GPRESSAVG: 4448200 9.64042 -0.677587 38.4895 -1.2241 -13.0504 -1.32247 36.3209 -1.86665 7.52308 TIMING: 4448200 CPU: 14065.8, 0.00313581/step Wall: 14065.8, 0.00313581/step, 0.480651 hours remaining, 235.394531 MB of memory in use. ENERGY: 4448200 3933.1802 20347.4617 14454.2874 244.9196 -203589.7547 2599.0856 0.0000 0.0000 52054.1447 -109956.6755 299.1559 -162010.8202 -109593.4939 298.0998 234.8202 258.4574 761726.5360 1.3750 1.3710 LDB: ============= START OF LOAD BALANCING ============== 14078.4 LDB: ============== END OF LOAD BALANCING =============== 14078.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14078.4 LDB: ============= START OF LOAD BALANCING ============== 14078.7 LDB: Largest compute 7078 load 0.034590 is 17.7% of average load 0.195537 LDB: Average compute 0.004385 is 2.2% of average load 0.195537 LDB: TIME 14078.7 LOAD: AVG 0.195537 MAX 0.21776 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.414 MB LDB: TIME 14078.7 LOAD: AVG 0.195537 MAX 0.21776 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: TIME 14078.7 LOAD: AVG 0.195537 MAX 0.21776 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.617 MB LDB: ============== END OF LOAD BALANCING =============== 14078.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14078.7 PRESSURE: 4448400 183.951 123.574 -151.392 123.574 400.097 135.518 -151.393 135.518 253.159 GPRESSURE: 4448400 184.435 99.3456 -74.651 76.8263 411.341 133.05 -139.735 116.502 307.65 PRESSAVG: 4448400 -26.7434 -8.33341 -18.1983 -8.33343 -1.44816 34.229 -18.1982 34.2291 -24.6823 GPRESSAVG: 4448400 -27.7083 -6.71881 -16.3873 -10.1473 -1.51188 34.1027 -17.835 34.1432 -23.5428 TIMING: 4448400 CPU: 14066.5, 0.00320207/step Wall: 14066.5, 0.00320207/step, 0.490628 hours remaining, 234.667969 MB of memory in use. ENERGY: 4448400 3979.5705 20262.8694 14499.5187 236.4028 -203952.4005 2945.0977 0.0000 0.0000 51936.5417 -110092.3996 298.4800 -162028.9413 -109721.4270 297.5873 279.0690 301.1421 759472.5801 -17.6246 -17.5877 PRESSURE: 4448600 -4.3636 208.496 -91.6522 208.495 -155.95 137.693 -91.6523 137.693 197.73 GPRESSURE: 4448600 90.2118 80.5997 -86.8268 158.549 -46.1794 160.528 -64.6384 -106.48 82.5612 PRESSAVG: 4448600 -17.2543 29.1291 -23.6341 29.129 28.5711 -7.90671 -23.6341 -7.90666 -5.1437 GPRESSAVG: 4448600 -14.8365 28.4896 -24.7574 29.287 28.6536 -6.81713 -21.0931 -9.21391 -7.85585 TIMING: 4448600 CPU: 14067.1, 0.00311841/step Wall: 14067.1, 0.00311841/step, 0.477636 hours remaining, 234.921875 MB of memory in use. ENERGY: 4448600 3971.6937 20371.2130 14513.6915 234.7396 -203504.0257 2648.4045 0.0000 0.0000 51723.9981 -110040.2852 297.2585 -161764.2833 -109675.3415 297.3839 12.4718 42.1979 761374.0354 2.0577 1.9871 PRESSURE: 4448800 -259.185 137.746 -30.9589 137.746 -159.177 149.165 -30.9589 149.166 302.171 GPRESSURE: 4448800 -136.147 191.423 11.6598 94.0593 -119.674 84.3364 52.9817 111.399 206.222 PRESSAVG: 4448800 -17.2364 -30.0262 17.9848 -30.0262 18.1601 43.9568 17.9848 43.9567 -9.96791 GPRESSAVG: 4448800 -17.5137 -29.7256 15.738 -30.3732 17.4377 43.4373 18.2645 46.794 -9.37753 TIMING: 4448800 CPU: 14067.7, 0.00312356/step Wall: 14067.7, 0.00312356/step, 0.478252 hours remaining, 234.921875 MB of memory in use. ENERGY: 4448800 3973.0909 20501.1792 14499.3812 243.1354 -203092.5376 2398.8998 0.0000 0.0000 51650.5486 -109826.3026 296.8364 -161476.8512 -109464.3918 297.6022 -38.7302 -16.5328 762103.5799 -3.0148 -3.1512 PRESSURE: 4449000 -205.71 -177.942 -62.325 -177.943 -67.3766 40.6958 -62.3252 40.6961 -95.7129 GPRESSURE: 4449000 -176.706 -272.749 -154.673 -22.5724 -46.0425 51.5564 40.2342 -42.7343 -75.609 PRESSAVG: 4449000 36.24 -12.1685 -21.5181 -12.1686 -15.1974 3.32923 -21.5181 3.3293 1.8215 GPRESSAVG: 4449000 34.4494 -14.3395 -19.6893 -10.1536 -13.2442 3.98289 -21.9411 1.52555 2.03877 TIMING: 4449000 CPU: 14068.4, 0.00312007/step Wall: 14068.4, 0.00312007/step, 0.477544 hours remaining, 234.921875 MB of memory in use. ENERGY: 4449000 3946.9712 20391.0397 14558.3155 253.9593 -203402.4101 2494.5233 0.0000 0.0000 51915.2847 -109842.3164 298.3579 -161757.6011 -109481.3213 298.3486 -122.9332 -99.4524 761671.0690 7.6214 7.7480 PRESSURE: 4449200 -150.636 -269.821 -152.806 -269.821 180.268 -200.71 -152.806 -200.709 53.7743 GPRESSURE: 4449200 -68.4947 -141.049 -124.596 -331.469 137.323 -177.564 -95.4849 -230.313 80.5677 PRESSAVG: 4449200 -38.3931 -20.4823 -13.3326 -20.4823 36.2527 -9.79944 -13.3326 -9.79943 22.4818 GPRESSAVG: 4449200 -36.7205 -19.8532 -13.53 -18.8406 35.0147 -11.2652 -13.6664 -8.8588 22.6655 TIMING: 4449200 CPU: 14069, 0.00313099/step Wall: 14069, 0.00313099/step, 0.479041 hours remaining, 234.921875 MB of memory in use. ENERGY: 4449200 4027.9016 20391.1378 14527.0121 234.5754 -203706.3404 2669.3531 0.0000 0.0000 51810.8199 -110045.5404 297.7575 -161856.3603 -109681.8429 297.7941 27.8022 49.7988 761290.4360 6.7805 6.9866 PRESSURE: 4449400 -552.063 31.0638 -169.515 31.0638 -144.341 -184.811 -169.516 -184.811 -7.26252 GPRESSURE: 4449400 -415.377 16.8108 -182.389 42.0522 -198.987 -253.702 -47.4198 -231.392 -9.20103 PRESSAVG: 4449400 -5.49714 -31.4909 -12.6003 -31.4909 13.9506 -39.7566 -12.6003 -39.7565 1.75145 GPRESSAVG: 4449400 -5.60598 -33.1405 -12.9009 -30.2976 14.8139 -39.0474 -12.4344 -41.8989 1.2161 TIMING: 4449400 CPU: 14069.6, 0.00316605/step Wall: 14069.6, 0.00316605/step, 0.48423 hours remaining, 234.921875 MB of memory in use. ENERGY: 4449400 3970.2563 20587.1234 14517.1331 230.2914 -203500.6329 2506.7491 0.0000 0.0000 51558.5640 -110130.5156 296.3078 -161689.0796 -109769.4906 297.8944 -234.5558 -207.8551 761517.1545 3.4016 3.4747 PRESSURE: 4449600 90.9272 -128.373 2.03008 -128.373 391.858 -116.069 2.02981 -116.068 49.1712 GPRESSURE: 4449600 152.913 -203.144 -12.0092 -95.1042 396.572 -74.3895 6.96977 -15.9877 61.9376 PRESSAVG: 4449600 -18.1531 -28.2495 -66.6739 -28.2495 42.4388 -0.206042 -66.6739 -0.206046 -28.9082 GPRESSAVG: 4449600 -18.5626 -27.6451 -66.163 -31.6599 41.6322 0.642392 -68.1298 3.56597 -27.2435 TIMING: 4449600 CPU: 14070.2, 0.00311869/step Wall: 14070.2, 0.00311869/step, 0.476813 hours remaining, 234.921875 MB of memory in use. ENERGY: 4449600 3933.6713 20393.0282 14578.0682 223.9033 -203956.4934 2604.6163 0.0000 0.0000 51823.6496 -110399.5564 297.8312 -162223.2060 -110037.4412 297.5248 177.3190 203.8074 758603.3975 -1.5408 -1.3913 PRESSURE: 4449800 92.6106 35.3683 159.019 35.3685 -154.506 206.162 159.019 206.163 -153.047 GPRESSURE: 4449800 184.306 18.962 137.917 147.093 -131.779 241.975 56.4909 172.32 -190.108 PRESSAVG: 4449800 -7.63787 15.9723 -21.2614 15.9723 32.4521 69.0469 -21.2613 69.0469 12.1911 GPRESSAVG: 4449800 -6.85569 17.73 -22.8828 17.7582 32.3898 69.0657 -19.782 66.2505 10.8614 TIMING: 4449800 CPU: 14070.9, 0.0031221/step Wall: 14070.9, 0.0031221/step, 0.477161 hours remaining, 235.125000 MB of memory in use. ENERGY: 4449800 4000.0065 20517.7644 14441.7473 225.6756 -203779.6882 2774.6351 0.0000 0.0000 51658.9967 -110160.8625 296.8850 -161819.8592 -109807.6771 296.9666 -71.6476 -45.8604 761289.6043 12.3351 12.1318 PRESSURE: 4450000 53.3569 -142.629 -374.557 -142.629 313.007 -56.6028 -374.557 -56.6026 276.341 GPRESSURE: 4450000 48.6868 -164.57 -307.032 -154.074 343.152 -108.538 -406.156 11.9329 326.781 PRESSAVG: 4450000 -22.667 0.743153 -59.1335 0.743178 33.3301 38.8181 -59.1334 38.8181 -5.04107 GPRESSAVG: 4450000 -23.6152 0.156597 -57.0681 1.34478 34.2216 37.7355 -61.1663 39.975 -4.83826 TIMING: 4450000 CPU: 14071.5, 0.00314138/step Wall: 14071.5, 0.00314138/step, 0.479934 hours remaining, 235.125000 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: 4450000 4011.3785 20575.6691 14481.7795 224.2678 -203639.0856 2431.7078 0.0000 0.0000 51841.0004 -110073.2825 297.9309 -161914.2829 -109727.3511 297.9009 214.2351 239.5399 760115.3984 1.8740 1.9227 PRESSURE: 4450200 -25.5691 70.1486 -66.0789 70.1484 78.2982 247.37 -66.0786 247.371 195.961 GPRESSURE: 4450200 103.399 13.1643 -5.1388 203.142 8.80531 198.816 -99.504 317.076 229.802 PRESSAVG: 4450200 20.2679 -33.6836 -4.55238 -33.6836 -2.49979 37.9309 -4.55236 37.9309 -1.84946 GPRESSAVG: 4450200 19.8943 -35.5961 -3.98585 -33.058 -2.63962 38.4041 -3.44839 38.4603 -1.49211 TIMING: 4450200 CPU: 14072.1, 0.00312121/step Wall: 14072.1, 0.00312121/step, 0.476678 hours remaining, 235.125000 MB of memory in use. ENERGY: 4450200 3932.0730 20549.3356 14407.5376 244.3352 -203576.4269 2516.1618 0.0000 0.0000 51992.9784 -109934.0053 298.8044 -161926.9837 -109582.5055 298.1391 82.8966 114.0023 760260.5539 5.3062 5.2542 PRESSURE: 4450400 -165.584 -190.072 -137.847 -190.072 52.1822 99.2978 -137.846 99.2979 45.2094 GPRESSURE: 4450400 15.6875 -152.864 -143.976 -193.08 94.3808 109.872 -66.7909 148.494 -67.8358 PRESSAVG: 4450400 5.14377 -37.0031 10.851 -37.0031 40.0682 14.9839 10.8511 14.9839 15.9152 GPRESSAVG: 4450400 6.58629 -35.1466 9.37509 -37.2652 39.5918 15.2209 9.96587 12.8161 15.0515 TIMING: 4450400 CPU: 14072.7, 0.00313132/step Wall: 14072.7, 0.00313132/step, 0.478048 hours remaining, 235.125000 MB of memory in use. ENERGY: 4450400 3962.8360 20433.2992 14515.6008 250.8481 -203622.5618 2561.6443 0.0000 0.0000 51974.0708 -109924.2626 298.6957 -161898.3334 -109562.0634 297.8377 -22.7309 14.0775 761234.2405 20.3757 20.4099 PRESSURE: 4450600 -54.1633 -159.113 -54.4355 -159.114 -166.356 151.118 -54.4353 151.117 -238.383 GPRESSURE: 4450600 -82.0708 -161.481 -58.8479 -26.4313 -125.773 102.342 -84.0291 245.026 -157.082 PRESSAVG: 4450600 -21.9952 -48.5346 -14.3279 -48.5347 14.5216 22.055 -14.3279 22.0549 -5.43286 GPRESSAVG: 4450600 -23.0259 -48.2435 -12.7401 -49.4475 13.7498 20.1765 -15.3037 24.1676 -3.71246 TIMING: 4450600 CPU: 14073.4, 0.00314819/step Wall: 14073.4, 0.00314819/step, 0.480449 hours remaining, 235.125000 MB of memory in use. ENERGY: 4450600 4038.2361 20536.8709 14542.1155 258.2718 -203632.6886 2657.2384 0.0000 0.0000 51736.1812 -109863.7747 297.3285 -161599.9560 -109509.4382 297.9472 -152.9673 -121.6418 761758.0802 -4.3021 -4.3295 PRESSURE: 4450800 -231.324 -105.742 38.0858 -105.741 -58.729 -176.587 38.0866 -176.587 -220.031 GPRESSURE: 4450800 -191.858 -82.9558 12.4073 -158.385 -5.64724 -185.86 29.1608 -222.828 -201.955 PRESSAVG: 4450800 1.73626 2.25414 -94.5563 2.25415 18.8899 19.7519 -94.5563 19.7519 -6.42868 GPRESSAVG: 4450800 1.20599 3.42617 -95.8596 1.85254 21.0129 20.036 -91.268 21.0671 -7.46258 TIMING: 4450800 CPU: 14074, 0.00313966/step Wall: 14074, 0.00313966/step, 0.478973 hours remaining, 235.125000 MB of memory in use. ENERGY: 4450800 3911.5307 20352.4427 14559.2323 250.2721 -203090.5849 2470.8317 0.0000 0.0000 52101.5108 -109444.7646 299.4281 -161546.2755 -109074.2327 298.3429 -170.0282 -133.1533 760943.7929 4.7325 4.9188 PRESSURE: 4451000 -100.224 -2.57631 94.6021 -2.57577 -104.201 -33.2352 94.6019 -33.2344 131.532 GPRESSURE: 4451000 -130.215 -1.31072 8.16598 55.6891 -55.2498 -35.3854 -35.2064 -53.0795 216.123 PRESSAVG: 4451000 -52.2795 8.9335 -12.2179 8.93361 29.3567 -16.2247 -12.2179 -16.2248 3.06104 GPRESSAVG: 4451000 -52.3246 6.68932 -13.5804 8.01865 29.209 -16.1091 -11.4007 -17.9225 3.29632 TIMING: 4451000 CPU: 14074.6, 0.00315459/step Wall: 14074.6, 0.00315459/step, 0.481075 hours remaining, 235.125000 MB of memory in use. ENERGY: 4451000 3976.0520 20438.7958 14549.4600 248.3086 -203623.4548 2823.1665 0.0000 0.0000 52217.6509 -109370.0209 300.0956 -161587.6718 -109014.7456 299.1073 -24.2979 10.2194 762507.9053 -6.6206 -6.6064 PRESSURE: 4451200 -219.188 72.6385 44.7181 72.6387 -56.4322 46.0917 44.7178 46.0915 -146.431 GPRESSURE: 4451200 -135.477 104.872 -39.4373 45.9152 -78.6298 103.554 58.0792 9.40197 -111.341 PRESSAVG: 4451200 -61.6635 39.8056 14.8646 39.8056 25.9236 26.2236 14.8646 26.2237 -0.234857 GPRESSAVG: 4451200 -62.4385 39.6661 17.0816 41.0425 25.4359 27.5692 12.3227 25.9669 1.06964 TIMING: 4451200 CPU: 14075.3, 0.00314773/step Wall: 14075.3, 0.00314773/step, 0.479855 hours remaining, 235.125000 MB of memory in use. ENERGY: 4451200 4024.2436 20637.2113 14549.5021 250.7846 -203169.3631 2611.1273 0.0000 0.0000 51969.8725 -109126.6217 298.6716 -161096.4941 -108762.0847 299.0127 -140.6837 -108.4827 763346.8618 -11.9916 -11.9776 PRESSURE: 4451400 -175.951 -71.9359 -163.795 -71.9358 141.902 -260.668 -163.796 -260.668 -19.5788 GPRESSURE: 4451400 -122.988 -177.096 -210.576 -148.786 161.888 -285.738 -222.262 -173.904 -18.7768 PRESSAVG: 4451400 -43.0129 -7.31583 -7.65174 -7.31576 75.596 -3.5335 -7.65172 -3.5334 4.56135 GPRESSAVG: 4451400 -42.931 -6.51535 -7.03229 -8.37316 77.0627 -5.0712 -8.60696 -3.39625 3.22 TIMING: 4451400 CPU: 14075.9, 0.00312667/step Wall: 14075.9, 0.00312667/step, 0.476469 hours remaining, 235.125000 MB of memory in use. ENERGY: 4451400 4046.6503 20444.9382 14534.7447 236.8458 -203123.0582 2476.7283 0.0000 0.0000 52303.8427 -109079.3081 300.5909 -161383.1508 -108712.3442 300.3049 -17.8761 6.7076 762831.2673 12.3815 12.4506 PRESSURE: 4451600 -455.736 -95.3349 197.874 -95.3349 -355.659 -235.262 197.874 -235.261 -40.3568 GPRESSURE: 4451600 -390.282 -120.787 183.083 -227.664 -299.124 -210.314 80.9045 -226.708 -64.8074 PRESSAVG: 4451600 14.6105 -46.7958 14.8135 -46.7959 -22.246 -20.5505 14.8135 -20.5506 10.8312 GPRESSAVG: 4451600 15.4684 -48.9538 13.5634 -47.8054 -22.9469 -17.6289 17.0051 -23.3695 10.9147 TIMING: 4451600 CPU: 14076.5, 0.00314513/step Wall: 14076.5, 0.00314513/step, 0.479108 hours remaining, 235.125000 MB of memory in use. ENERGY: 4451600 4015.6652 20564.1714 14510.4865 247.4759 -202841.6610 2500.8453 0.0000 0.0000 52071.8677 -108931.1491 299.2577 -161003.0168 -108569.0149 299.5905 -283.9172 -251.4045 763615.9243 1.0652 1.1454 PRESSURE: 4451800 -61.6078 89.2265 145.047 89.2268 -320.541 87.4193 145.047 87.419 -400.745 GPRESSURE: 4451800 -138.558 88.9047 39.5043 90.8302 -229.988 107.131 160.125 53.3176 -312.745 PRESSAVG: 4451800 -13.9937 -6.83443 52.6296 -6.83442 15.014 4.08786 52.6295 4.08787 34.9205 GPRESSAVG: 4451800 -14.9055 -5.53527 52.8193 -6.21403 16.197 2.07576 53.1687 6.47393 34.4274 TIMING: 4451800 CPU: 14077.1, 0.00313505/step Wall: 14077.1, 0.00313505/step, 0.477398 hours remaining, 235.125000 MB of memory in use. ENERGY: 4451800 3981.6722 20617.3557 14651.4682 256.9136 -202942.4182 2496.9956 0.0000 0.0000 52285.0373 -108652.9756 300.4828 -160938.0129 -108291.1912 300.2606 -260.9646 -227.0969 762540.2518 11.9803 11.9063 PRESSURE: 4452000 -271.077 66.1163 47.6211 66.1164 -138.812 -107.591 47.6213 -107.592 -106.047 GPRESSURE: 4452000 -105.785 87.6496 7.5126 30.3758 -196.068 -44.9077 133.431 -165.478 -139.859 PRESSAVG: 4452000 23.716 -12.0681 16.1536 -12.068 -4.01305 20.8845 16.1537 20.8844 8.91821 GPRESSAVG: 4452000 25.0698 -11.2548 15.624 -10.574 -4.17497 20.6786 17.6926 20.4931 8.13329 TIMING: 4452000 CPU: 14077.8, 0.00315187/step Wall: 14077.8, 0.00315187/step, 0.479784 hours remaining, 235.125000 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: 4452000 3962.9905 20496.0599 14614.8755 270.6008 -202585.3562 2188.8033 0.0000 0.0000 52261.1073 -108790.9190 300.3453 -161052.0263 -108424.3745 300.4144 -171.9788 -147.2376 765098.2773 9.5404 9.6760 PRESSURE: 4452200 164.678 -234.516 118.455 -234.515 145.168 -23.1201 118.455 -23.12 77.3182 GPRESSURE: 4452200 215.389 -225.777 89.2068 -257.542 197.718 -39.3669 166.139 90.1169 59.0161 PRESSAVG: 4452200 -35.8131 -32.5792 69.5836 -32.5792 -1.29642 -29.0441 69.5836 -29.044 -9.91571 GPRESSAVG: 4452200 -36.6729 -31.754 72.4624 -34.737 -0.976296 -30.8475 66.6713 -29.191 -9.40661 TIMING: 4452200 CPU: 14078.4, 0.00316425/step Wall: 14078.4, 0.00316425/step, 0.481494 hours remaining, 235.125000 MB of memory in use. ENERGY: 4452200 3982.2473 20572.2383 14467.4429 262.7604 -203387.7069 2859.8817 0.0000 0.0000 52379.3024 -108863.8340 301.0246 -161243.1364 -108491.5127 300.2289 129.0547 157.3741 763944.0936 -15.6751 -15.6853 LDB: ============= START OF LOAD BALANCING ============== 14090.9 LDB: ============== END OF LOAD BALANCING =============== 14090.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14090.9 LDB: ============= START OF LOAD BALANCING ============== 14091.3 LDB: Largest compute 7078 load 0.034803 is 17.8% of average load 0.195536 LDB: Average compute 0.004400 is 2.3% of average load 0.195536 LDB: TIME 14091.3 LOAD: AVG 0.195536 MAX 0.216247 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.555 MB LDB: TIME 14091.3 LOAD: AVG 0.195536 MAX 0.216247 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: TIME 14091.3 LOAD: AVG 0.195536 MAX 0.216247 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.758 MB LDB: ============== END OF LOAD BALANCING =============== 14091.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14091.3 PRESSURE: 4452400 -294.774 -86.086 28.1076 -86.0858 39.514 171.338 28.1074 171.337 -142.259 GPRESSURE: 4452400 -237.082 -20.9992 -58.0294 -24.1442 -57.6757 63.5449 -4.76129 224.736 -32.2758 PRESSAVG: 4452400 -13.1412 -12.4496 31.3807 -12.4496 54.6464 14.9431 31.3808 14.943 -10.353 GPRESSAVG: 4452400 -12.5417 -13.918 29.7003 -11.1638 52.9705 16.1305 33.3425 14.9129 -9.5273 TIMING: 4452400 CPU: 14079, 0.00322348/step Wall: 14079, 0.00322348/step, 0.490327 hours remaining, 234.695312 MB of memory in use. ENERGY: 4452400 4062.3473 20588.3806 14541.0699 247.6416 -203105.4463 2654.1591 0.0000 0.0000 51924.6440 -109087.2038 298.4116 -161011.8478 -108741.6118 300.1152 -132.5061 -109.0113 764150.5281 10.3841 10.3005 PRESSURE: 4452600 -151.985 -7.55802 47.4839 -7.55753 182.835 -379.38 47.4836 -379.379 -209.126 GPRESSURE: 4452600 -107.994 -159.876 30.3821 -102.308 209.492 -386.515 103.066 -237.986 -174.906 PRESSAVG: 4452600 -35.8705 -30.557 -1.74139 -30.5571 90.1863 -7.2961 -1.74138 -7.29612 1.95707 GPRESSAVG: 4452600 -37.0869 -28.8544 -0.655713 -31.1151 91.7146 -6.09944 -3.20224 -6.84847 1.85307 TIMING: 4452600 CPU: 14079.7, 0.00314431/step Wall: 14079.7, 0.00314431/step, 0.47811 hours remaining, 234.695312 MB of memory in use. ENERGY: 4452600 4098.6686 20546.9379 14511.1609 254.6280 -203228.2505 2575.4123 0.0000 0.0000 52192.6056 -109048.8371 299.9516 -161241.4427 -108686.3800 300.0160 -59.4251 -24.4695 762647.1190 18.7576 18.8269 PRESSURE: 4452800 189.754 150.422 361.378 150.422 206.867 -99.1266 361.377 -99.126 -27.835 GPRESSURE: 4452800 318.842 24.8692 347.278 197.936 163.363 -109.985 372.914 -53.1766 -29.8624 PRESSAVG: 4452800 -30.4755 39.244 47.1379 39.244 62.0513 -69.1269 47.1379 -69.1269 14.6234 GPRESSAVG: 4452800 -29.6385 37.5105 46.5195 40.192 62.2787 -71.256 48.8663 -68.6241 13.902 TIMING: 4452800 CPU: 14080.3, 0.00316245/step Wall: 14080.3, 0.00316245/step, 0.480693 hours remaining, 234.695312 MB of memory in use. ENERGY: 4452800 3943.0261 20862.3443 14485.9296 252.5436 -203349.6901 2627.8887 0.0000 0.0000 51912.5506 -109265.4072 298.3421 -161177.9578 -108915.0427 300.2085 122.9285 150.7807 761355.7579 15.3997 15.5141 PRESSURE: 4453000 -309.256 25.0916 244.141 25.0918 -41.4655 55.8487 244.14 55.8485 343.207 GPRESSURE: 4453000 -189.132 6.62633 260.694 -38.3217 -17.0167 54.779 262.753 -83.3643 274.36 PRESSAVG: 4453000 18.17 35.4605 18.4691 35.4605 -22.1772 -20.7139 18.4691 -20.7139 1.95296 GPRESSAVG: 4453000 18.4725 36.6021 18.6331 32.9365 -21.8759 -18.2898 19.3172 -22.0399 1.44328 TIMING: 4453000 CPU: 14080.9, 0.00315886/step Wall: 14080.9, 0.00315886/step, 0.479971 hours remaining, 234.695312 MB of memory in use. ENERGY: 4453000 3933.3044 20458.8753 14559.1137 262.6486 -202925.2741 2185.6922 0.0000 0.0000 52003.0332 -109522.6067 298.8621 -161525.6399 -109159.3629 299.1292 -2.5049 22.7370 762816.8740 -0.6847 -0.6534 PRESSURE: 4453200 65.7869 -9.89457 95.9006 -9.8943 -155.568 58.3138 95.9011 58.3131 -458.179 GPRESSURE: 4453200 21.5347 -69.1046 87.7519 -62.4746 -12.0443 14.8627 170.467 145.989 -487.705 PRESSAVG: 4453200 -18.9005 -12.3999 20.3469 -12.3999 16.8193 -9.93007 20.3469 -9.93 14.023 GPRESSAVG: 4453200 -18.0078 -14.5494 19.5561 -7.65094 15.1966 -11.1877 20.2557 -9.5794 14.8347 TIMING: 4453200 CPU: 14081.6, 0.00313321/step Wall: 14081.6, 0.00313321/step, 0.4759 hours remaining, 234.695312 MB of memory in use. ENERGY: 4453200 4009.1113 20563.8366 14565.0369 235.0959 -203425.3889 2557.1834 0.0000 0.0000 52033.6559 -109461.4688 299.0381 -161495.1248 -109093.1940 299.1006 -182.6534 -159.4050 763395.3989 3.9806 4.0078 PRESSURE: 4453400 125.898 -154.412 -177.977 -154.412 116.486 37.4343 -177.978 37.434 -49.842 GPRESSURE: 4453400 164.393 -117.422 -166.813 -137.397 244.59 68.4882 -205.222 13.6048 -121.467 PRESSAVG: 4453400 30.539 -17.418 -41.3366 -17.418 -12.9037 -3.6207 -41.3366 -3.62078 -3.44274 GPRESSAVG: 4453400 28.9427 -14.5431 -39.9995 -20.708 -12.3365 -1.12141 -43.0195 -6.06207 -3.10182 TIMING: 4453400 CPU: 14082.2, 0.00312113/step Wall: 14082.2, 0.00312113/step, 0.473892 hours remaining, 234.695312 MB of memory in use. ENERGY: 4453400 3991.6875 20418.7314 14551.8688 272.6756 -203730.9634 2918.0220 0.0000 0.0000 51987.8383 -109590.1399 298.7748 -161577.9782 -109223.6507 298.7857 64.1806 95.8387 760767.6313 4.7309 4.5015 PRESSURE: 4453600 177.717 76.3037 -211.731 76.3035 161.141 54.4836 -211.732 54.4837 -29.9276 GPRESSURE: 4453600 198.762 68.1574 -201.534 50.6344 168.585 71.6396 -250.151 148.924 38.0863 PRESSAVG: 4453600 44.6685 -7.41768 -57.0924 -7.41763 -16.8663 22.3867 -57.0926 22.3867 -20.2127 GPRESSAVG: 4453600 45.1729 -7.78845 -56.8423 -9.14765 -17.2112 19.4065 -59.5148 24.3003 -20.221 TIMING: 4453600 CPU: 14082.8, 0.00311729/step Wall: 14082.8, 0.00311729/step, 0.473135 hours remaining, 234.695312 MB of memory in use. ENERGY: 4453600 4037.1653 20569.1434 14464.2621 241.0973 -203431.3987 2688.0119 0.0000 0.0000 51997.7078 -109434.0109 298.8315 -161431.7187 -109070.0299 298.9840 102.9769 135.1447 761168.3900 2.5298 2.5802 PRESSURE: 4453800 123.258 -79.8589 -13.6406 -79.8594 48.6252 131.274 -13.6395 131.272 194.78 GPRESSURE: 4453800 136.558 69.9925 50.5074 -121.606 42.325 42.6598 -84.3891 176.13 283.826 PRESSAVG: 4453800 32.9878 -37.6568 -62.3428 -37.6567 -6.72328 -15.8498 -62.3427 -15.8497 -15.2884 GPRESSAVG: 4453800 33.4003 -38.3063 -63.1987 -34.5037 -6.91217 -15.6317 -59.0446 -14.5523 -15.5521 TIMING: 4453800 CPU: 14083.4, 0.00313125/step Wall: 14083.4, 0.00313125/step, 0.475081 hours remaining, 234.695312 MB of memory in use. ENERGY: 4453800 3953.4282 20695.1962 14483.6598 238.1292 -203500.1897 2575.6056 0.0000 0.0000 52078.8321 -109475.3387 299.2978 -161554.1707 -109116.2412 299.4051 122.2211 154.2364 762015.1408 3.6587 3.6453 PRESSURE: 4454000 -207.003 -151.054 110.606 -151.054 -151.141 141.853 110.606 141.854 -104.911 GPRESSURE: 4454000 -192.042 -274.73 47.5212 -84.6444 -158.405 154.055 134.505 -27.8854 -23.4341 PRESSAVG: 4454000 27.2149 -7.58173 -45.8145 -7.58177 -42.5836 -26.6115 -45.8145 -26.6115 17.1818 GPRESSAVG: 4454000 26.1764 -6.13966 -46.3688 -9.00704 -42.5893 -25.3558 -46.5444 -28.2747 18.3087 TIMING: 4454000 CPU: 14084.1, 0.00311219/step Wall: 14084.1, 0.00311219/step, 0.472015 hours remaining, 234.695312 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: 4454000 4055.2240 20586.7673 14518.4730 244.5990 -203536.0306 2635.0819 0.0000 0.0000 52301.3206 -109194.5649 300.5764 -161495.8854 -108820.8350 300.2457 -154.3515 -124.6273 761768.3531 0.6044 0.6319 PRESSURE: 4454200 89.7812 158.536 -253.691 158.535 72.9298 52.4304 -253.691 52.4317 165.345 GPRESSURE: 4454200 104.492 165.398 -211.304 42.0137 48.8809 57.4524 -210.823 43.5607 258.23 PRESSAVG: 4454200 -15.3228 -8.01314 -3.27329 -8.01321 -22.067 -11.125 -3.27328 -11.125 3.8654 GPRESSAVG: 4454200 -14.2092 -9.51192 -2.87178 -7.30681 -22.0954 -11.3758 -1.975 -10.2116 3.35503 TIMING: 4454200 CPU: 14084.7, 0.00313213/step Wall: 14084.7, 0.00313213/step, 0.474866 hours remaining, 234.695312 MB of memory in use. ENERGY: 4454200 4012.5522 20662.3693 14450.2080 243.6788 -203041.9695 2608.8549 0.0000 0.0000 51942.6631 -109121.6431 298.5152 -161064.3062 -108758.8773 299.9125 109.3519 137.2010 762412.4788 -11.1748 -10.9832 PRESSURE: 4454400 -143.9 -156.603 -35.7311 -156.603 -307.567 335.703 -35.7304 335.703 -140.382 GPRESSURE: 4454400 -168.089 -62.8236 -118.173 -57.2544 -179.114 262.835 20.2695 407.793 -169.598 PRESSAVG: 4454400 10.8298 -31.9944 -40.2091 -31.9944 0.900985 30.5454 -40.2091 30.5455 -14.2266 GPRESSAVG: 4454400 9.41745 -31.3454 -41.1803 -32.191 2.66688 30.9255 -40.6625 29.9227 -14.8742 TIMING: 4454400 CPU: 14085.3, 0.00312902/step Wall: 14085.3, 0.00312902/step, 0.474221 hours remaining, 234.695312 MB of memory in use. ENERGY: 4454400 3974.7261 20680.8174 14504.0195 245.5170 -203310.1995 2518.8556 0.0000 0.0000 52328.8846 -109057.3792 300.7348 -161386.2637 -108695.7458 299.7623 -197.2828 -172.2672 762174.5624 -0.8320 -0.9300 PRESSURE: 4454600 114.938 99.9526 80.9792 99.9524 -7.96478 -6.19096 80.9784 -6.19156 394.401 GPRESSURE: 4454600 221.38 100.469 18.3086 47.2148 -74.2466 -103.206 52.1443 -16.4847 418.627 PRESSAVG: 4454600 -4.92215 -42.4723 -2.92182 -42.4723 -47.9638 42.8512 -2.92188 42.8512 19.1859 GPRESSAVG: 4454600 -4.20983 -41.1938 -2.34263 -43.8254 -49.5396 41.1059 -4.27387 43.1739 19.8191 TIMING: 4454600 CPU: 14085.9, 0.00311259/step Wall: 14085.9, 0.00311259/step, 0.471558 hours remaining, 234.695312 MB of memory in use. ENERGY: 4454600 4001.0364 20644.5620 14522.5246 253.2284 -203402.5451 2481.8272 0.0000 0.0000 52375.5156 -109123.8510 301.0028 -161499.3666 -108760.1238 300.1793 167.1245 188.5868 760159.9382 -11.2333 -11.3101 PRESSURE: 4454800 94.623 -19.9906 -141.822 -19.9905 -200.92 243.205 -141.821 243.204 -354.326 GPRESSURE: 4454800 107.534 -67.8292 -110.976 -65.661 -115.346 209.406 -20.7263 235.055 -359.248 PRESSAVG: 4454800 69.8666 -23.7707 -45.945 -23.7707 -39.0377 2.47337 -45.9451 2.47342 15.2202 GPRESSAVG: 4454800 69.7049 -24.0866 -44.0485 -21.0692 -39.0575 2.91781 -45.0201 2.72288 15.3869 TIMING: 4454800 CPU: 14086.6, 0.00313571/step Wall: 14086.6, 0.00313571/step, 0.474886 hours remaining, 234.695312 MB of memory in use. ENERGY: 4454800 3921.8475 20576.0271 14474.7586 254.5173 -202972.9680 2558.8699 0.0000 0.0000 52193.3454 -108993.6021 299.9559 -161186.9476 -108625.9329 300.5332 -153.5410 -122.3534 760751.1266 15.3497 15.3448 PRESSURE: 4455000 -298.479 -12.2201 -307.896 -12.2199 303.534 127.591 -307.897 127.592 -26.563 GPRESSURE: 4455000 -159.336 101.346 -252.383 -62.208 231.114 154.634 -303.525 58.7962 11.6644 PRESSAVG: 4455000 22.4538 -26.9309 -18.848 -26.9309 -5.28675 -2.45093 -18.848 -2.45094 -3.82086 GPRESSAVG: 4455000 22.5984 -28.0598 -19.6017 -29.0765 -5.57959 -1.768 -19.9569 -3.38489 -4.33002 TIMING: 4455000 CPU: 14087.2, 0.00315425/step Wall: 14087.2, 0.00315425/step, 0.477518 hours remaining, 234.695312 MB of memory in use. ENERGY: 4455000 3961.5983 20476.5448 14540.6185 252.5756 -203104.5516 2550.6902 0.0000 0.0000 52189.5178 -109133.0064 299.9339 -161322.5242 -108770.3930 299.7671 -7.1694 27.8142 762918.3341 4.4487 4.2296 PRESSURE: 4455200 3.07115 -1.91342 108.69 -1.9129 -63.3847 194.533 108.691 194.533 -168.775 GPRESSURE: 4455200 8.07275 50.2297 82.9684 -32.4709 -6.48238 192.553 50.657 57.455 -136.227 PRESSAVG: 4455200 0.796518 10.4918 -13.3553 10.4918 40.2084 10.2917 -13.3553 10.2918 -3.70176 GPRESSAVG: 4455200 1.00328 11.9113 -15.0554 10.5279 40.2252 9.03401 -13.0608 12.0963 -3.59006 TIMING: 4455200 CPU: 14087.8, 0.00312718/step Wall: 14087.8, 0.00312718/step, 0.473247 hours remaining, 234.695312 MB of memory in use. ENERGY: 4455200 4025.9535 20345.5937 14543.0218 268.0923 -203121.4773 2731.3760 0.0000 0.0000 52152.1229 -109055.3172 299.7190 -161207.4400 -108690.2150 300.2975 -76.3630 -44.8790 762550.5857 12.4344 12.5462 PRESSURE: 4455400 -217.247 127.373 -45.018 127.373 -340.291 -98.9837 -45.0175 -98.9836 20.9632 GPRESSURE: 4455400 -178.148 134.882 -119.163 140.868 -395.004 -20.1727 52.9068 -66.2384 98.0691 PRESSAVG: 4455400 5.71158 4.57635 -14.2154 4.57636 8.45077 -27.4044 -14.2154 -27.4043 18.968 GPRESSAVG: 4455400 4.34805 3.12057 -13.6366 5.36384 8.59223 -27.6342 -12.3462 -27.5741 20.0447 TIMING: 4455400 CPU: 14088.4, 0.0031459/step Wall: 14088.4, 0.0031459/step, 0.475904 hours remaining, 234.695312 MB of memory in use. ENERGY: 4455400 4018.9536 20511.5336 14511.8237 239.2371 -203271.0778 2506.5283 0.0000 0.0000 52287.8299 -109195.1715 300.4989 -161483.0014 -108817.7506 300.0415 -178.8585 -158.3612 763498.5527 11.0434 10.9950 PRESSURE: 4455600 -3.58855 29.9105 -174.538 29.9109 251.184 9.59208 -174.538 9.59224 -330.575 GPRESSURE: 4455600 155.831 48.2437 -262.397 54.0079 239.647 76.6574 -170.986 115.906 -381.07 PRESSAVG: 4455600 32.5206 -39.3186 12.9802 -39.3186 -9.03092 0.21872 12.9802 0.218706 3.62489 GPRESSAVG: 4455600 33.408 -40.2693 14.7721 -38.063 -8.05925 -0.21043 12.6881 -1.53747 1.65953 TIMING: 4455600 CPU: 14089.1, 0.00314022/step Wall: 14089.1, 0.00314022/step, 0.474872 hours remaining, 234.695312 MB of memory in use. ENERGY: 4455600 4026.5777 20505.1410 14483.4994 233.8884 -203400.1449 2893.5049 0.0000 0.0000 52036.1843 -109221.3494 299.0527 -161257.5336 -108855.8927 299.6003 -27.6598 4.8029 760684.3450 9.0382 9.0028 PRESSURE: 4455800 -45.0909 45.7929 150.224 45.7921 426.65 -188.52 150.224 -188.52 -260.028 GPRESSURE: 4455800 74.5163 93.2852 120.22 -2.97234 390.341 -207.335 64.4635 -104.861 -258.878 PRESSAVG: 4455800 -19.1237 -39.0205 -3.54441 -39.0205 49.758 -48.6889 -3.54438 -48.6888 8.7898 GPRESSAVG: 4455800 -19.0831 -38.2824 -4.83255 -40.7388 49.213 -48.4514 -5.72289 -47.4393 9.75704 TIMING: 4455800 CPU: 14089.7, 0.00311873/step Wall: 14089.7, 0.00311873/step, 0.471448 hours remaining, 234.695312 MB of memory in use. ENERGY: 4455800 4031.1291 20478.9113 14504.0393 242.4167 -203678.1155 2841.1730 0.0000 0.0000 52073.7632 -109506.6828 299.2686 -161580.4459 -109139.8484 299.1697 40.5104 68.6599 761503.9478 13.1414 13.2956 PRESSURE: 4456000 -339.968 75.027 -38.7722 75.0274 -101.94 -8.58066 -38.7715 -8.58056 143.869 GPRESSURE: 4456000 -307.027 160.168 -86.0658 72.2334 -55.2133 12.2762 -34.0879 85.7201 156.875 PRESSAVG: 4456000 40.1309 -42.6542 7.23162 -42.6542 -52.8371 35.8132 7.23158 35.8132 -13.1954 GPRESSAVG: 4456000 40.061 -42.2463 8.1082 -41.5724 -53.2811 35.9447 6.19133 37.1962 -13.1277 TIMING: 4456000 CPU: 14090.3, 0.0031323/step Wall: 14090.3, 0.0031323/step, 0.473325 hours remaining, 234.695312 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: 4456000 3972.8767 20660.2576 14478.8920 252.0215 -203815.5455 2878.4480 0.0000 0.0000 52089.8375 -109483.2122 299.3610 -161573.0497 -109117.8525 298.6763 -99.3463 -68.4553 760906.7350 -8.6339 -8.7826 PRESSURE: 4456200 80.7311 -75.9964 -68.042 -75.9961 -270.554 43.0497 -68.0429 43.0484 -14.3944 GPRESSURE: 4456200 13.3365 -191.854 22.9771 -174.432 -209.822 17.9899 -101.158 23.8634 71.1911 PRESSAVG: 4456200 -27.3469 -33.8977 -11.5207 -33.8977 14.6156 19.0219 -11.5207 19.0219 -15.4245 GPRESSAVG: 4456200 -27.117 -32.6487 -12.1142 -36.3802 14.7659 19.5231 -9.0857 17.5277 -15.8597 TIMING: 4456200 CPU: 14091, 0.00312935/step Wall: 14091, 0.00312935/step, 0.472705 hours remaining, 234.695312 MB of memory in use. ENERGY: 4456200 4035.9849 20614.3792 14532.7261 237.4268 -203407.8424 2628.7278 0.0000 0.0000 52031.2550 -109327.3424 299.0243 -161358.5975 -108974.9868 299.2370 -68.0724 -41.7649 760852.6841 -9.3853 -9.4036 LDB: ============= START OF LOAD BALANCING ============== 14103.5 LDB: ============== END OF LOAD BALANCING =============== 14103.5 LDB: =============== DONE WITH MIGRATION ================ 14103.5 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14103.8 LDB: Largest compute 7078 load 0.034933 is 17.9% of average load 0.195595 LDB: Average compute 0.004410 is 2.3% of average load 0.195595 LDB: TIME 14103.8 LOAD: AVG 0.195595 MAX 0.215256 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.875 MB LDB: TIME 14103.8 LOAD: AVG 0.195595 MAX 0.215256 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.105 MB LDB: TIME 14103.8 LOAD: AVG 0.195595 MAX 0.215256 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.105 MB LDB: ============== END OF LOAD BALANCING =============== 14103.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14103.8 PRESSURE: 4456400 -6.53399 116.231 112.031 116.232 -259.639 171.858 112.03 171.858 -149.61 GPRESSURE: 4456400 48.1189 -1.99121 88.4338 130.63 -198.328 145.223 116.321 141.785 -207.126 PRESSAVG: 4456400 -16.8156 -61.1764 0.88376 -61.1765 -19.1817 -13.8345 0.883771 -13.8345 4.96659 GPRESSAVG: 4456400 -17.1868 -62.9416 0.796703 -60.2206 -18.483 -13.7818 -0.400446 -12.411 4.69386 TIMING: 4456400 CPU: 14091.6, 0.00319453/step Wall: 14091.6, 0.00319453/step, 0.482374 hours remaining, 234.902344 MB of memory in use. ENERGY: 4456400 3940.9966 20712.8435 14560.8929 252.9399 -203292.8039 2511.6913 0.0000 0.0000 52139.3227 -109174.1170 299.6454 -161313.4396 -108813.0024 299.2698 -138.5941 -119.1116 762831.1288 -10.3436 -10.3253 PRESSURE: 4456600 124.89 84.6953 113.71 84.6946 -220.868 26.3946 113.71 26.3949 289.521 GPRESSURE: 4456600 130.75 97.0684 120.275 14.0929 -241.889 49.0677 2.53486 -3.02408 368.358 PRESSAVG: 4456600 -9.87767 -22.638 -19.8681 -22.638 -4.39868 23.9648 -19.8682 23.9648 3.61405 GPRESSAVG: 4456600 -11.0872 -22.0795 -21.4219 -22.7397 -3.14226 26.1436 -18.6405 21.8325 3.40241 TIMING: 4456600 CPU: 14092.2, 0.00313473/step Wall: 14092.2, 0.00313473/step, 0.47317 hours remaining, 235.007812 MB of memory in use. ENERGY: 4456600 4029.4021 20594.8526 14541.3168 244.7235 -203462.9282 2805.6981 0.0000 0.0000 52112.4652 -109134.4699 299.4911 -161246.9350 -108778.6824 299.4822 64.5144 85.7394 760977.1679 -3.5541 -3.6090 PRESSURE: 4456800 -141.658 -295.608 -153.202 -295.608 -432.129 21.6774 -153.202 21.6762 -583.212 GPRESSURE: 4456800 -206.625 -259.263 -137.229 -330.572 -356.287 98.9511 -97.84 90.0911 -487.016 PRESSAVG: 4456800 36.6575 -68.3418 -10.0528 -68.3418 -39.9281 16.8169 -10.0527 16.817 38.9549 GPRESSAVG: 4456800 37.6089 -69.4203 -9.11056 -66.3671 -41.9836 14.1931 -10.8386 19.6235 40.1754 TIMING: 4456800 CPU: 14092.8, 0.00313707/step Wall: 14092.8, 0.00313707/step, 0.473349 hours remaining, 235.210938 MB of memory in use. ENERGY: 4456800 4066.6632 20484.8618 14549.3487 239.7369 -203137.7586 2493.9563 0.0000 0.0000 52105.5755 -109197.6162 299.4515 -161303.1918 -108840.3108 299.7125 -385.6664 -349.9758 761197.3372 11.8948 11.9335 PRESSURE: 4457000 -51.9682 10.1107 110.367 10.1101 -147.932 -125.057 110.367 -125.056 199.275 GPRESSURE: 4457000 67.4037 -37.2728 71.4648 18.5849 -111.272 -133.373 -33.1307 -3.0264 156.699 PRESSAVG: 4457000 76.2811 -53.0742 0.754955 -53.0741 -7.93127 68.2174 0.75493 68.2174 -1.05559 GPRESSAVG: 4457000 75.8035 -52.6306 2.04587 -54.2141 -6.27432 68.9745 -0.342424 64.9032 -2.18973 TIMING: 4457000 CPU: 14093.5, 0.00313095/step Wall: 14093.5, 0.00313095/step, 0.472252 hours remaining, 235.210938 MB of memory in use. ENERGY: 4457000 4049.8421 20619.1420 14557.8609 253.8557 -203651.1967 2780.0459 0.0000 0.0000 52359.7420 -109030.7081 300.9122 -161390.4501 -108661.0435 300.0388 -0.2084 37.6105 761808.5465 22.4314 22.4465 PRESSURE: 4457200 347.915 70.4461 112.497 70.4451 50.387 123.056 112.496 123.057 116.15 GPRESSURE: 4457200 326.054 -29.5657 202.745 49.5871 94.7361 140.407 26.398 65.6921 180.189 PRESSAVG: 4457200 10.2374 -25.4329 29.1415 -25.433 -75.379 68.2923 29.1414 68.2922 -7.93626 GPRESSAVG: 4457200 10.5359 -27.6349 27.8392 -25.5569 -76.1141 69.0941 30.6178 68.2134 -7.03078 TIMING: 4457200 CPU: 14094.1, 0.00312492/step Wall: 14094.1, 0.00312492/step, 0.471169 hours remaining, 235.210938 MB of memory in use. ENERGY: 4457200 3996.9481 20575.6407 14518.3290 232.3568 -203786.3398 3163.1785 0.0000 0.0000 52378.8805 -108921.0061 301.0221 -161299.8866 -108564.0137 300.3975 171.4838 200.3262 761787.0705 -24.3593 -24.2030 PRESSURE: 4457400 -60.964 -106.391 346.827 -106.392 -105.581 -71.6011 346.828 -71.6002 130.609 GPRESSURE: 4457400 6.08962 -28.4171 415.872 -33.6696 -76.8477 -66.2582 164.997 -90.5826 105.043 PRESSAVG: 4457400 77.6866 -44.1883 -45.2944 -44.1883 -39.1728 52.4938 -45.2944 52.4938 -44.936 GPRESSAVG: 4457400 78.8661 -39.66 -44.4345 -45.0199 -39.3444 50.8156 -45.6115 54.5437 -45.8588 TIMING: 4457400 CPU: 14094.7, 0.0031067/step Wall: 14094.7, 0.0031067/step, 0.468249 hours remaining, 235.210938 MB of memory in use. ENERGY: 4457400 3975.2356 20638.1271 14491.1595 250.0286 -203150.6319 2680.7951 0.0000 0.0000 52132.5225 -108982.7634 299.6063 -161115.2860 -108621.5091 299.9602 -11.9787 11.4283 763853.6730 -2.1407 -2.1124 PRESSURE: 4457600 170.352 197.955 94.5133 197.955 -236.664 284.158 94.5125 284.157 -308.627 GPRESSURE: 4457600 151.193 184.678 45.3948 194.971 -166.06 295.325 142.419 168.542 -264.734 PRESSAVG: 4457600 66.6828 -8.33229 21.2515 -8.33231 -52.3259 -7.9392 21.2515 -7.93916 -20.2338 GPRESSAVG: 4457600 65.031 -10.7927 19.8692 -7.71535 -50.8522 -5.98701 21.0082 -10.0919 -20 TIMING: 4457600 CPU: 14095.3, 0.00314368/step Wall: 14095.3, 0.00314368/step, 0.473648 hours remaining, 235.210938 MB of memory in use. ENERGY: 4457600 4037.3666 20524.4973 14522.7647 256.9112 -202565.9786 2346.9522 0.0000 0.0000 52053.6695 -108823.8172 299.1532 -160877.4866 -108458.2586 300.0691 -124.9794 -93.2003 764638.8487 -1.9590 -1.9404 PRESSURE: 4457800 123.869 -138.051 -165.374 -138.052 216.474 89.9896 -165.374 89.991 5.33199 GPRESSURE: 4457800 230.483 -136.845 -186.897 -80.1529 156.792 34.607 -70.1463 111.53 47.9454 PRESSAVG: 4457800 39.0003 -27.6983 -8.92231 -27.6984 -50.1583 7.82323 -8.92223 7.82333 2.9787 GPRESSAVG: 4457800 39.9755 -28.4752 -6.789 -27.2643 -52.2096 6.05256 -10.2985 8.88044 3.85782 TIMING: 4457800 CPU: 14096, 0.00313647/step Wall: 14096, 0.00313647/step, 0.472387 hours remaining, 235.394531 MB of memory in use. ENERGY: 4457800 4001.5200 20603.4485 14515.3087 245.4919 -203694.2309 3079.4215 0.0000 0.0000 52294.6565 -108954.3839 300.5381 -161249.0405 -108602.4586 300.2116 115.2250 145.0734 762570.7834 -2.7264 -2.7921 PRESSURE: 4458000 188.544 -60.6741 176.535 -60.674 75.2178 -191.815 176.535 -191.816 476.8 GPRESSURE: 4458000 213.965 -81.2073 198.858 58.8323 175.004 -147.233 164.974 -209.353 427.92 PRESSAVG: 4458000 35.0879 -0.559091 -10.6306 -0.559122 -11.533 43.2913 -10.6306 43.2913 10.9819 GPRESSAVG: 4458000 34.8027 0.0880147 -12.0695 -0.812914 -9.89483 44.8501 -9.89588 42.9339 9.89689 TIMING: 4458000 CPU: 14096.6, 0.00314866/step Wall: 14096.6, 0.00314866/step, 0.474048 hours remaining, 235.394531 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: 4458000 3914.3724 20436.2099 14559.7679 244.1113 -203277.2364 2668.5995 0.0000 0.0000 52484.3395 -108969.8359 301.6282 -161454.1754 -108604.0806 300.0337 246.8539 272.2966 763310.0285 11.5123 11.6016 PRESSURE: 4458200 373.614 -118.277 -38.5364 -118.278 -209.722 -252.119 -38.5373 -252.118 357.971 GPRESSURE: 4458200 359.241 -101.216 53.9133 -204.89 -161.526 -250.731 -68.688 -299.37 384.81 PRESSAVG: 4458200 54.8313 -56.951 15.4329 -56.951 -58.8953 -55.5124 15.433 -55.5124 1.04378 GPRESSAVG: 4458200 55.2463 -56.1698 17.4182 -57.399 -60.4128 -56.3293 16.1414 -55.5377 2.57374 TIMING: 4458200 CPU: 14097.2, 0.00314225/step Wall: 14097.2, 0.00314225/step, 0.472909 hours remaining, 235.394531 MB of memory in use. ENERGY: 4458200 3984.4959 20483.2868 14548.8325 253.3617 -203757.8114 2976.8586 0.0000 0.0000 52291.7345 -109219.2413 300.5213 -161510.9759 -108851.3644 299.6203 173.9540 194.1750 761004.5176 -1.0067 -0.8643 PRESSURE: 4458400 347.247 32.8027 -56.0742 32.8028 -149.957 24.555 -56.0744 24.5539 -217.977 GPRESSURE: 4458400 323.083 87.0243 -132.377 12.2493 -56.374 37.313 -49.3419 55.0354 -214.736 PRESSAVG: 4458400 35.885 -71.2395 -11.1378 -71.2395 -28.4323 -37.2542 -11.1377 -37.2542 -9.11244 GPRESSAVG: 4458400 35.2557 -70.0799 -12.5526 -71.9396 -27.9207 -38.1544 -10.179 -35.7126 -9.54963 TIMING: 4458400 CPU: 14097.9, 0.0031269/step Wall: 14097.9, 0.0031269/step, 0.470425 hours remaining, 235.394531 MB of memory in use. ENERGY: 4458400 4019.6775 20405.2594 14594.2103 269.0077 -203179.3559 2354.8610 0.0000 0.0000 52068.6303 -109467.7098 299.2391 -161536.3400 -109109.9476 299.0986 -6.8955 17.3243 761926.3876 -0.5533 -0.7382 PRESSURE: 4458600 -78.4599 145.472 -6.4357 145.472 -357.981 -82.1378 -6.43646 -82.1376 -169.811 GPRESSURE: 4458600 92.1253 210.779 -11.6462 130.5 -414.57 -44.8391 66.2737 -29.9606 -196.513 PRESSAVG: 4458600 57.1104 -11.6917 -53.5082 -11.6917 -60.4431 -0.486857 -53.5082 -0.486856 -8.92014 GPRESSAVG: 4458600 56.9893 -12.9563 -52.3297 -11.1249 -60.7001 0.267634 -53.7732 0.537309 -8.6352 TIMING: 4458600 CPU: 14098.5, 0.00314043/step Wall: 14098.5, 0.00314043/step, 0.472286 hours remaining, 235.394531 MB of memory in use. ENERGY: 4458600 4018.6060 20440.0151 14596.8036 256.4247 -203342.7516 2403.3513 0.0000 0.0000 51980.9498 -109646.6011 298.7352 -161627.5510 -109279.5875 298.7118 -202.0840 -172.9860 762605.9867 -4.0843 -4.1153 PRESSURE: 4458800 104.615 -182.464 -7.27674 -182.464 -7.03456 171.945 -7.27688 171.946 -84.2357 GPRESSURE: 4458800 186.755 -196.96 -93.6014 -152.88 38.6727 214.66 -23.3376 195.649 -136.866 PRESSAVG: 4458800 64.1647 -85.0854 5.9028 -85.0853 -58.6181 -11.6544 5.90279 -11.6544 -3.56592 GPRESSAVG: 4458800 64.9855 -84.4787 5.08249 -84.2267 -59.5799 -12.61 3.92859 -14.7911 -3.67995 TIMING: 4458800 CPU: 14099.1, 0.00313281/step Wall: 14099.1, 0.00313281/step, 0.470965 hours remaining, 235.394531 MB of memory in use. ENERGY: 4458800 4002.4389 20559.8886 14511.8002 251.8494 -203315.5349 2749.5023 0.0000 0.0000 51887.5545 -109352.5010 298.1985 -161240.0555 -108991.4707 298.7470 4.4483 29.5203 761658.0867 0.6602 0.5752 PRESSURE: 4459000 320.034 198.079 -178.671 198.08 -318.818 -325.537 -178.671 -325.536 -93.6017 GPRESSURE: 4459000 265.254 182.3 -69.3728 109.22 -288.543 -278.854 -319.302 -303.326 7.91039 PRESSAVG: 4459000 3.33341 -51.8068 12.7694 -51.8068 -51.423 -33.1793 12.7693 -33.1793 16.6274 GPRESSAVG: 4459000 2.4844 -53.2307 11.5372 -53.975 -49.6862 -30.8093 14.551 -32.3988 15.8062 TIMING: 4459000 CPU: 14099.7, 0.00313255/step Wall: 14099.7, 0.00313255/step, 0.470752 hours remaining, 235.394531 MB of memory in use. ENERGY: 4459000 3992.0214 20515.1804 14464.8221 251.1332 -203699.2548 2824.9315 0.0000 0.0000 52234.6490 -109416.5171 300.1932 -161651.1662 -109052.8852 299.2057 -30.7955 -5.1261 760707.5791 -10.4874 -10.4652 PRESSURE: 4459200 132.408 -36.0111 114.75 -36.0108 -174.693 41.2964 114.75 41.2956 -25.209 GPRESSURE: 4459200 49.0037 24.2874 140.072 35.2714 -103.897 3.07727 90.9835 -31.1515 62.5675 PRESSAVG: 4459200 55.275 13.2545 2.73617 13.2544 -7.77772 5.93398 2.73617 5.93402 -34.1212 GPRESSAVG: 4459200 55.8086 13.5761 2.971 15.4713 -9.30079 3.77043 1.34101 7.53448 -33.3477 TIMING: 4459200 CPU: 14100.4, 0.00313936/step Wall: 14100.4, 0.00313936/step, 0.471602 hours remaining, 235.394531 MB of memory in use. ENERGY: 4459200 3990.6157 20506.4928 14481.1265 243.5068 -203609.8752 2957.7766 0.0000 0.0000 51895.6545 -109534.7023 298.2450 -161430.3568 -109178.3605 298.8487 -22.4982 2.5582 761237.9327 4.4587 4.3867 PRESSURE: 4459400 -20.6702 -308.121 10.1253 -308.121 -137.031 -38.9928 10.1242 -38.9932 -378.714 GPRESSURE: 4459400 14.773 -254.054 116.876 -177.17 -115.617 -37.2694 119.087 -159.049 -344.779 PRESSAVG: 4459400 26.3283 -36.5882 -24.827 -36.5881 -46.1429 47.115 -24.827 47.115 5.09277 GPRESSAVG: 4459400 26.2411 -35.9989 -22.7716 -36.3075 -45.7801 49.3275 -23.2139 45.0966 4.86335 TIMING: 4459400 CPU: 14101, 0.00316295/step Wall: 14101, 0.00316295/step, 0.47497 hours remaining, 235.394531 MB of memory in use. ENERGY: 4459400 3993.0985 20408.6635 14511.5778 246.1546 -204166.5112 3026.6560 0.0000 0.0000 52342.1364 -109638.2244 300.8110 -161980.3608 -109275.6813 298.6628 -178.8051 -148.5408 761281.3968 -4.9072 -4.8919 PRESSURE: 4459600 5.83117 198.385 179.952 198.385 101.793 46.4869 179.951 46.4886 341.707 GPRESSURE: 4459600 99.0558 92.291 144.024 261.482 88.275 19.248 123.001 -4.4949 335.306 PRESSAVG: 4459600 -74.0649 -5.47453 51.1934 -5.47453 35.8833 -11.7794 51.1934 -11.7794 10.5689 GPRESSAVG: 4459600 -73.6088 -7.87917 48.2547 -7.31735 34.7102 -13.2973 51.5815 -10.2908 10.9681 TIMING: 4459600 CPU: 14101.6, 0.00317025/step Wall: 14101.6, 0.00317025/step, 0.475889 hours remaining, 235.394531 MB of memory in use. ENERGY: 4459600 4025.2544 20410.3759 14487.5406 233.0255 -203343.8396 2554.8370 0.0000 0.0000 52241.4363 -109391.3699 300.2323 -161632.8062 -109020.9584 299.3228 149.7769 174.2122 761074.8752 -9.2042 -9.3101 PRESSURE: 4459800 -128.71 -7.06786 193.103 -7.06865 265.131 43.393 193.104 43.3921 53.2609 GPRESSURE: 4459800 -116.513 20.4262 148.262 16.7259 306.898 94.8485 111.704 8.98205 82.7592 PRESSAVG: 4459800 31.8845 -17.4484 -11.0736 -17.4484 -0.153727 -9.2606 -11.0735 -9.2606 18.4401 GPRESSAVG: 4459800 32.1696 -15.7132 -9.39505 -16.47 0.513983 -9.48986 -13.0272 -7.95231 17.6874 TIMING: 4459800 CPU: 14102.3, 0.00315371/step Wall: 14102.3, 0.00315371/step, 0.473231 hours remaining, 235.394531 MB of memory in use. ENERGY: 4459800 3969.5242 20561.3907 14567.7509 285.8524 -203586.9429 2806.0358 0.0000 0.0000 52022.1944 -109374.1944 298.9723 -161396.3888 -109009.1973 299.1172 63.2271 91.0481 762056.7259 16.7236 16.7903 PRESSURE: 4460000 -138.461 -123.66 202.404 -123.662 -181.723 88.0115 202.405 88.0117 513.598 GPRESSURE: 4460000 -138.052 30.6576 223.359 -54.5832 -55.2963 112.492 218.63 109.459 484.999 PRESSAVG: 4460000 -28.3011 -28.4739 -4.88626 -28.4739 8.16381 -17.5493 -4.88621 -17.5491 -6.45125 GPRESSAVG: 4460000 -28.4131 -28.0053 -4.90562 -28.9043 8.10512 -15.9555 -3.73482 -19.7556 -6.26515 TIMING: 4460000 CPU: 14102.9, 0.00317194/step Wall: 14102.9, 0.00317194/step, 0.475791 hours remaining, 235.394531 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: 4460000 3943.7122 20618.4560 14424.7712 258.3668 -203205.3872 2527.9791 0.0000 0.0000 51977.3351 -109454.7668 298.7145 -161432.1019 -109092.1056 299.5442 64.4711 97.2170 762650.7079 -8.8629 -8.8577 PRESSURE: 4460200 -9.41629 111.569 204.863 111.569 168.617 132.364 204.863 132.364 57.0955 GPRESSURE: 4460200 32.1014 -26.881 125.795 102.987 181.573 134.815 -25.3049 67.3245 92.0431 PRESSAVG: 4460200 -2.91954 -54.3325 12.0605 -54.3325 17.4777 13.7217 12.0604 13.7217 -8.60955 GPRESSAVG: 4460200 -4.87495 -54.6378 10.7945 -53.7216 17.9603 13.2875 10.5094 13.8018 -7.92906 TIMING: 4460200 CPU: 14103.5, 0.00317586/step Wall: 14103.5, 0.00317586/step, 0.476202 hours remaining, 235.394531 MB of memory in use. ENERGY: 4460200 3917.5980 20471.1538 14537.4464 252.2402 -203539.6709 2712.2927 0.0000 0.0000 52179.3600 -109469.5798 299.8755 -161648.9398 -109108.4447 299.2798 72.0989 101.9058 760710.8260 1.9829 1.7188 LDB: ============= START OF LOAD BALANCING ============== 14116.1 LDB: ============== END OF LOAD BALANCING =============== 14116.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14116.1 LDB: ============= START OF LOAD BALANCING ============== 14116.4 LDB: Largest compute 7055 load 0.032203 is 16.5% of average load 0.195590 LDB: Average compute 0.004384 is 2.2% of average load 0.195590 LDB: TIME 14116.4 LOAD: AVG 0.19559 MAX 0.216131 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.434 MB LDB: TIME 14116.4 LOAD: AVG 0.19559 MAX 0.216131 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: TIME 14116.4 LOAD: AVG 0.19559 MAX 0.216131 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: ============== END OF LOAD BALANCING =============== 14116.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14116.4 PRESSURE: 4460400 -166.263 -87.7037 -93.2337 -87.7031 14.0647 -131.169 -93.2333 -131.169 270.359 GPRESSURE: 4460400 -97.874 -91.9788 -90.9125 -166.915 57.8166 -268.752 -70.8948 -96.8348 242.664 PRESSAVG: 4460400 -12.4351 -47.7879 -8.38701 -47.7879 -6.57034 -57.5207 -8.38699 -57.5207 5.86413 GPRESSAVG: 4460400 -10.4435 -48.8769 -7.34052 -48.9529 -7.0488 -58.4841 -6.65993 -56.1546 4.85322 TIMING: 4460400 CPU: 14104.2, 0.00322967/step Wall: 14104.2, 0.00322967/step, 0.484092 hours remaining, 236.410156 MB of memory in use. ENERGY: 4460400 3946.6348 20383.3973 14530.4661 250.1870 -203099.3438 2430.2968 0.0000 0.0000 52227.2309 -109331.1309 300.1506 -161558.3618 -108961.3904 299.1330 39.3868 67.5355 762082.1223 -4.3804 -4.2130 PRESSURE: 4460600 56.063 -153.185 -22.2547 -153.184 -369.827 -302.331 -22.2545 -302.332 -106.43 GPRESSURE: 4460600 -75.9359 -29.1948 76.0403 -113.146 -167.54 -271.882 -120.827 -287.25 -87.6568 PRESSAVG: 4460600 23.2075 -34.5047 15.2285 -34.5048 -30.2133 -56.1134 15.2285 -56.1134 -4.25757 GPRESSAVG: 4460600 23.2389 -33.5712 16.4709 -32.9678 -30.0867 -54.6511 15.6037 -56.5484 -4.00302 TIMING: 4460600 CPU: 14104.8, 0.00314523/step Wall: 14104.8, 0.00314523/step, 0.471261 hours remaining, 236.613281 MB of memory in use. ENERGY: 4460600 3987.6152 20624.7373 14549.1835 260.3429 -203398.9669 2790.0779 0.0000 0.0000 51917.4743 -109269.5358 298.3704 -161187.0101 -108921.9206 299.5754 -140.0647 -110.3777 761852.0842 -3.7545 -3.6169 PRESSURE: 4460800 -297.033 17.5984 135.508 17.5979 -34.4361 -182.261 135.508 -182.262 -309.597 GPRESSURE: 4460800 -280.127 76.5198 149.135 46.2848 -21.3004 -216.16 11.8231 -116.181 -243.763 PRESSAVG: 4460800 -29.0766 2.638 -18.7038 2.63803 32.4055 5.37338 -18.7038 5.37344 13.7259 GPRESSAVG: 4460800 -28.6937 2.51829 -18.8105 1.49524 31.8508 3.64324 -19.8839 6.29955 13.3834 TIMING: 4460800 CPU: 14105.4, 0.00317397/step Wall: 14105.4, 0.00317397/step, 0.47539 hours remaining, 236.652344 MB of memory in use. ENERGY: 4460800 3996.2924 20504.6513 14547.7852 245.5518 -203447.1477 2614.8888 0.0000 0.0000 52220.1756 -109317.8025 300.1101 -161537.9781 -108945.9934 299.3742 -213.6889 -181.7304 760970.2403 5.6849 5.5135 PRESSURE: 4461000 -43.9702 19.343 65.787 19.3429 -165.43 49.8966 65.7873 49.8961 -142.954 GPRESSURE: 4461000 -90.595 47.14 110.817 -24.5508 -85.3851 56.3128 113.8 114.196 -78.253 PRESSAVG: 4461000 17.9306 -5.6652 22.5159 -5.66518 -37.5388 19.8333 22.5159 19.8332 -40.3781 GPRESSAVG: 4461000 16.1261 -8.49996 22.5914 -3.95956 -37.0328 21.0653 23.4255 17.1656 -39.0418 TIMING: 4461000 CPU: 14106.1, 0.00317645/step Wall: 14106.1, 0.00317645/step, 0.475586 hours remaining, 236.652344 MB of memory in use. ENERGY: 4461000 3983.6073 20676.6912 14557.5602 250.6565 -203047.3254 2447.5343 0.0000 0.0000 52095.5653 -109035.7106 299.3939 -161131.2759 -108673.0087 300.1519 -117.4515 -84.7443 762506.4825 -19.9954 -19.9828 PRESSURE: 4461200 -341.524 195.524 13.2571 195.525 -59.7796 120.926 13.2561 120.925 208.514 GPRESSURE: 4461200 -311.26 -26.5811 16.9748 42.0197 -48.7583 185.463 -44.6755 -6.84237 246.72 PRESSAVG: 4461200 -20.8227 -5.3238 -40.3287 -5.32379 21.2731 68.897 -40.3287 68.8969 10.815 GPRESSAVG: 4461200 -20.5496 -1.36696 -39.4756 -6.21726 21.5106 68.1739 -40.4052 71.3197 10.2928 TIMING: 4461200 CPU: 14106.7, 0.003164/step Wall: 14106.7, 0.003164/step, 0.473545 hours remaining, 236.652344 MB of memory in use. ENERGY: 4461200 4004.2056 20502.9954 14492.2335 273.3164 -203327.2304 2452.3408 0.0000 0.0000 52349.4531 -109252.6856 300.8530 -161602.1386 -108885.9277 300.0683 -64.2633 -37.7662 760837.0733 3.7551 3.7512 PRESSURE: 4461400 131.264 67.5546 -22.6842 67.5545 -178.617 14.1916 -22.6837 14.1907 90.5694 GPRESSURE: 4461400 183.079 20.5791 16.9906 102.318 -130.209 24.0728 30.0801 69.3366 81.6559 PRESSAVG: 4461400 -9.66339 4.14366 27.0567 4.14367 -0.638006 72.5275 27.0566 72.5275 12.8043 GPRESSAVG: 4461400 -7.89278 4.70532 25.3999 2.53862 -0.988266 72.8284 26.7646 69.7409 11.9103 TIMING: 4461400 CPU: 14107.3, 0.00315363/step Wall: 14107.3, 0.00315363/step, 0.471818 hours remaining, 236.652344 MB of memory in use. ENERGY: 4461400 4003.9691 20642.7916 14587.1193 234.0219 -203264.5550 2498.9478 0.0000 0.0000 52095.6501 -109202.0552 299.3944 -161297.7053 -108847.9306 300.1758 14.4053 44.8419 759902.0504 0.8343 1.0098 PRESSURE: 4461600 143.258 13.0861 183.139 13.0854 34.5554 82.3071 183.138 82.3068 -185.381 GPRESSURE: 4461600 133.441 23.7436 241.062 19.972 167.366 209.314 176.304 168.872 -218.808 PRESSAVG: 4461600 -42.8667 -9.70833 -17.4718 -9.70832 54.3013 5.25414 -17.4717 5.25414 16.4803 GPRESSAVG: 4461600 -44.2466 -11.8213 -17.575 -7.96265 56.1815 6.59935 -16.3105 7.50566 16.2581 TIMING: 4461600 CPU: 14108, 0.00316505/step Wall: 14108, 0.00316505/step, 0.47335 hours remaining, 236.652344 MB of memory in use. ENERGY: 4461600 3982.2250 20587.2828 14556.2237 254.7415 -203271.4449 2541.6135 0.0000 0.0000 52134.2002 -109215.1583 299.6160 -161349.3584 -108852.2551 299.7909 -2.5226 27.3329 760579.5792 9.3050 9.3977 PRESSURE: 4461800 47.9835 -211.151 80.1532 -211.151 130.503 105.384 80.1529 105.383 109.668 GPRESSURE: 4461800 129.205 -166.33 58.2348 -166.26 95.2352 102.547 3.76451 -43.1828 128.173 PRESSAVG: 4461800 32.8762 -9.16471 32.6066 -9.16463 -49.887 -13.8206 32.6066 -13.8205 -6.11751 GPRESSAVG: 4461800 34.1474 -6.67892 31.8708 -9.03264 -50.9102 -14.4663 30.0407 -15.6926 -6.85804 TIMING: 4461800 CPU: 14108.6, 0.00313394/step Wall: 14108.6, 0.00313394/step, 0.468523 hours remaining, 236.652344 MB of memory in use. ENERGY: 4461800 4011.8311 20593.7042 14586.6764 268.9004 -203419.0087 2623.9002 0.0000 0.0000 52219.4963 -109114.4999 300.1062 -161333.9963 -108748.6585 299.9046 96.0515 117.5380 759564.1836 -7.7094 -7.8736 PRESSURE: 4462000 -217.85 -123.179 35.9871 -123.179 -275.36 -137.711 35.9875 -137.711 -189.248 GPRESSURE: 4462000 -235.06 -151.189 29.0342 26.0321 -205 -133.066 119.571 -106.509 -158.735 PRESSAVG: 4462000 10.8508 2.26153 -7.07968 2.26156 -19.4302 18.2819 -7.07967 18.282 26.6714 GPRESSAVG: 4462000 9.8743 -1.28183 -6.18233 3.033 -20.8704 17.0223 -4.41634 17.5613 28.7253 TIMING: 4462000 CPU: 14109.2, 0.00313608/step Wall: 14109.2, 0.00313608/step, 0.46867 hours remaining, 236.652344 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: 4462000 4067.1653 20711.5897 14481.8894 242.6607 -203137.4251 2440.0749 0.0000 0.0000 52063.0938 -109130.9513 299.2073 -161194.0451 -108770.0016 300.2363 -227.4859 -199.5985 760290.7169 6.0307 5.9098 PRESSURE: 4462200 238.435 60.4143 -163.25 60.4158 -246.577 -96.7801 -163.25 -96.7792 26.0381 GPRESSURE: 4462200 181.105 29.1607 -217.602 46.7202 -186.117 -28.8445 -149.262 -144.706 114.044 PRESSAVG: 4462200 8.19912 11.6161 -7.82454 11.616 -17.819 22.8187 -7.8245 22.8187 -11.9627 GPRESSAVG: 4462200 6.9773 15.1751 -8.79159 10.1226 -16.0455 25.1157 -8.19305 25.3016 -12.6007 TIMING: 4462200 CPU: 14109.9, 0.00313619/step Wall: 14109.9, 0.00313619/step, 0.468512 hours remaining, 236.652344 MB of memory in use. ENERGY: 4462200 3919.9525 20597.9216 14515.5478 243.8377 -202990.1640 2302.6574 0.0000 0.0000 52225.8092 -109184.4377 300.1424 -161410.2469 -108813.3404 300.2665 5.9652 36.3443 760119.4285 -7.1942 -7.2230 PRESSURE: 4462400 -237.677 -9.72684 42.2991 -9.72685 92.4346 1.08928 42.2995 1.08928 77.556 GPRESSURE: 4462400 -132.825 108.167 -30.4457 73.7493 78.7802 6.04687 18.1654 -62.3318 84.5523 PRESSAVG: 4462400 40.4572 17.1019 36.2155 17.102 -17.1176 -0.697956 36.2156 -0.697966 26.3628 GPRESSAVG: 4462400 41.2945 16.024 37.5083 17.129 -17.5452 -3.14138 35.8404 -2.27712 25.1742 TIMING: 4462400 CPU: 14110.5, 0.00312686/step Wall: 14110.5, 0.00312686/step, 0.466944 hours remaining, 236.652344 MB of memory in use. ENERGY: 4462400 4018.6163 20717.8664 14488.0731 235.5882 -203556.3554 2653.0216 0.0000 0.0000 52299.0636 -109144.1262 300.5634 -161443.1898 -108783.3686 299.8367 -22.5620 10.1693 760470.1213 16.5675 16.3078 PRESSURE: 4462600 -76.1432 -45.8588 -66.4521 -45.8594 21.9389 -26.3492 -66.4522 -26.3488 -127.718 GPRESSURE: 4462600 -10.0805 35.963 -126.936 -12.8085 -6.55825 90.2655 -61.5421 135.893 -79.0006 PRESSAVG: 4462600 40.5004 30.3598 13.7238 30.3597 -9.05412 -16.116 13.7238 -16.1161 -6.08527 GPRESSAVG: 4462600 41.1211 30.884 14.2863 30.9157 -9.29142 -15.9534 11.7991 -15.517 -6.73247 TIMING: 4462600 CPU: 14111.1, 0.00313897/step Wall: 14111.1, 0.00313897/step, 0.468578 hours remaining, 236.652344 MB of memory in use. ENERGY: 4462600 4024.8982 20799.4220 14570.9137 268.5438 -203645.9338 2682.4045 0.0000 0.0000 52198.4256 -109101.3259 299.9851 -161299.7515 -108751.2895 300.0294 -60.6409 -31.8798 762370.7259 8.4537 8.3657 PRESSURE: 4462800 321.014 -208.323 -119.525 -208.322 110.586 124.009 -119.525 124.011 95.0639 GPRESSURE: 4462800 372.158 -236.579 -179.831 -131.577 40.5779 63.1815 33.2893 16.2944 186.252 PRESSAVG: 4462800 50.3956 -53.1886 -28.3052 -53.1885 -47.3578 -0.391442 -28.3052 -0.391443 20.458 GPRESSAVG: 4462800 49.343 -53.5103 -30.3073 -52.4189 -47.1325 0.998179 -25.8292 0.438674 21.2143 TIMING: 4462800 CPU: 14111.7, 0.00315005/step Wall: 14111.7, 0.00315005/step, 0.470058 hours remaining, 236.652344 MB of memory in use. ENERGY: 4462800 4025.9836 20661.6304 14497.2178 264.2760 -203785.1209 2932.0511 0.0000 0.0000 52391.3822 -109012.5798 301.0940 -161403.9621 -108652.7364 300.3155 175.5546 199.6624 761192.3899 7.8319 7.8083 PRESSURE: 4463000 -283.664 11.0769 155.07 11.077 -269.651 32.3299 155.069 32.3299 -84.6551 GPRESSURE: 4463000 -182.049 0.935651 177.247 -110.717 -267.709 4.59801 181.436 122.807 -89.4773 PRESSAVG: 4463000 38.0087 -37.0765 51.3596 -37.0764 -9.60349 34.8265 51.3596 34.8265 -3.87422 GPRESSAVG: 4463000 38.2485 -37.4176 50.9885 -36.6539 -9.17636 34.6891 50.1588 34.4423 -4.61376 TIMING: 4463000 CPU: 14112.4, 0.00312897/step Wall: 14112.4, 0.00312897/step, 0.466739 hours remaining, 236.652344 MB of memory in use. ENERGY: 4463000 4112.1702 20531.8997 14521.7302 271.2323 -203321.6893 2405.7951 0.0000 0.0000 52534.2769 -108944.5849 301.9152 -161478.8617 -108584.8185 300.8594 -212.6565 -179.7453 763098.2276 8.1770 8.1528 PRESSURE: 4463200 -74.2393 130.673 -214.235 130.674 153.957 215.339 -214.235 215.34 124.824 GPRESSURE: 4463200 -79.8364 59.1139 -194.69 165.81 230.919 160.036 -100.135 212.654 141.764 PRESSAVG: 4463200 24.2745 10.1287 47.6258 10.1287 5.72218 55.3556 47.6258 55.3556 -11.3907 GPRESSAVG: 4463200 23.4678 10.5259 49.0684 9.74673 6.61491 54.6004 48.6836 55.2294 -12.014 TIMING: 4463200 CPU: 14113, 0.00314087/step Wall: 14113, 0.00314087/step, 0.468339 hours remaining, 236.652344 MB of memory in use. ENERGY: 4463200 3953.4523 20706.5139 14473.8531 245.7194 -203012.2867 2475.7032 0.0000 0.0000 51906.3968 -109250.6480 298.3068 -161157.0447 -108891.0119 299.8279 68.1806 97.6155 760817.0385 6.2020 6.0229 PRESSURE: 4463400 11.9012 -57.9986 -222.419 -57.9995 125.5 -4.62001 -222.419 -4.61873 50.2711 GPRESSURE: 4463400 73.8815 -128.648 -207.426 -68.5934 163.283 -24.863 -124.634 -1.57493 38.315 PRESSAVG: 4463400 -47.8647 -44.3304 -2.64927 -44.3303 26.3444 16.0782 -2.6492 16.0783 17.1287 GPRESSAVG: 4463400 -48.5274 -46.009 -3.28437 -44.3415 25.38 15.8305 -1.46875 15.7444 18.5832 TIMING: 4463400 CPU: 14113.6, 0.00312105/step Wall: 14113.6, 0.00312105/step, 0.46521 hours remaining, 236.722656 MB of memory in use. ENERGY: 4463400 4121.8774 20507.5190 14456.4988 237.9910 -203598.2983 2963.6212 0.0000 0.0000 51976.1041 -109334.6868 298.7074 -161310.7909 -108970.7636 299.7298 62.5574 91.8265 760760.8316 -1.4639 -1.5214 PRESSURE: 4463600 152.956 37.8973 87.1702 37.8977 -6.96661 18.4189 87.17 18.4192 42.6633 GPRESSURE: 4463600 219.056 8.04808 86.9922 43.6959 4.21274 -11.5316 13.6688 53.3965 54.6027 PRESSAVG: 4463600 23.2435 -88.4488 -22.3908 -88.4488 -60.6274 -7.47586 -22.3908 -7.47583 -13.6606 GPRESSAVG: 4463600 24.2466 -87.8306 -21.3884 -87.7945 -60.8691 -6.54424 -22.7605 -7.28025 -14.7314 TIMING: 4463600 CPU: 14114.2, 0.00312135/step Wall: 14114.2, 0.00312135/step, 0.465081 hours remaining, 236.722656 MB of memory in use. ENERGY: 4463600 3990.0568 20590.2694 14560.4824 224.9034 -203411.8405 2745.2496 0.0000 0.0000 52196.6419 -109104.2371 299.9748 -161300.8789 -108751.8162 300.0046 62.8844 92.6239 761139.5316 -17.0148 -17.1180 PRESSURE: 4463800 283.306 46.8507 -85.0756 46.8508 75.688 45.5583 -85.0765 45.5578 -1.8342 GPRESSURE: 4463800 323.384 -3.13778 -55.2055 8.539 136.572 0.257975 -92.3072 99.5428 -29.2199 PRESSAVG: 4463800 -18.7148 -11.5201 19.0027 -11.5201 -7.24859 54.0941 19.0027 54.0941 16.4311 GPRESSAVG: 4463800 -16.5362 -11.3231 17.4366 -12.2186 -7.72478 52.8921 17.9732 53.6146 14.9332 TIMING: 4463800 CPU: 14114.9, 0.00315462/step Wall: 14114.9, 0.00315462/step, 0.469863 hours remaining, 236.722656 MB of memory in use. ENERGY: 4463800 4035.6015 20526.2872 14384.1814 236.8618 -203666.8908 2790.2774 0.0000 0.0000 52434.7959 -109258.8857 301.3435 -161693.6815 -108887.8255 300.0210 119.0533 143.5786 761404.4087 -3.1774 -3.1093 PRESSURE: 4464000 -10.7541 -199.496 -26.5314 -199.497 -241.589 -156.27 -26.5321 -156.269 30.8963 GPRESSURE: 4464000 -31.0901 -234.601 24.5883 -237.865 -124.649 -123.895 -63.2771 -129.476 19.0556 PRESSAVG: 4464000 8.66107 -46.2198 -45.3554 -46.2199 -7.33381 5.46272 -45.3553 5.46271 24.909 GPRESSAVG: 4464000 6.39842 -46.635 -44.5306 -46.9891 -6.86586 4.89337 -44.7035 7.9651 26.5431 TIMING: 4464000 CPU: 14115.5, 0.0031385/step Wall: 14115.5, 0.0031385/step, 0.467288 hours remaining, 236.722656 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: 4464000 3988.0555 20440.1804 14499.7628 257.3092 -203173.4629 2400.6467 0.0000 0.0000 52097.6667 -109489.8416 299.4060 -161587.5083 -109122.7019 299.6661 -73.8155 -45.5612 762505.5199 8.7454 8.6919 PRESSURE: 4464200 211.385 180.687 -38.3235 180.687 -52.1924 -37.206 -38.3236 -37.2064 87.6074 GPRESSURE: 4464200 213.453 109.676 -23.7287 106.317 -0.641047 -41.0333 -93.1041 -186.113 112.613 PRESSAVG: 4464200 46.9655 -27.9527 43.6077 -27.9527 12.2757 -12.5561 43.6076 -12.5561 -4.94703 GPRESSAVG: 4464200 47.0503 -28.7604 45.3385 -26.8217 12.0035 -11.5722 42.9154 -14.9311 -4.73951 TIMING: 4464200 CPU: 14116.1, 0.00314413/step Wall: 14116.1, 0.00314413/step, 0.467951 hours remaining, 236.722656 MB of memory in use. ENERGY: 4464200 3982.3715 20585.8793 14492.3105 219.4889 -203320.2228 2436.9081 0.0000 0.0000 52042.2072 -109561.0573 299.0873 -161603.2645 -109199.2571 298.8424 82.2667 108.4752 761012.9327 18.0980 18.1047 LDB: ============= START OF LOAD BALANCING ============== 14128.7 LDB: ============== END OF LOAD BALANCING =============== 14128.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14128.7 LDB: ============= START OF LOAD BALANCING ============== 14129 LDB: Largest compute 7032 load 0.036048 is 18.4% of average load 0.195599 LDB: Average compute 0.004402 is 2.3% of average load 0.195599 LDB: TIME 14129 LOAD: AVG 0.195599 MAX 0.22219 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.508 MB LDB: TIME 14129 LOAD: AVG 0.195599 MAX 0.22219 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: TIME 14129 LOAD: AVG 0.195599 MAX 0.215896 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.746 MB LDB: ============== END OF LOAD BALANCING =============== 14129 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14129 PRESSURE: 4464400 393.485 -53.7756 5.59821 -53.775 -40.9721 41.8328 5.59919 41.8324 -347.411 GPRESSURE: 4464400 346.929 -1.75946 -40.7137 -79.8258 61.2884 -0.571772 133.13 22.8257 -309.81 PRESSAVG: 4464400 -20.2812 -38.5494 -25.8192 -38.5494 31.2241 -8.76791 -25.8192 -8.76795 12.6586 GPRESSAVG: 4464400 -21.219 -35.5678 -25.6118 -39.394 32.0535 -10.2032 -27.5693 -8.41527 12.6061 TIMING: 4464400 CPU: 14116.8, 0.00320942/step Wall: 14116.8, 0.00320942/step, 0.47749 hours remaining, 236.542969 MB of memory in use. ENERGY: 4464400 4027.9207 20503.4296 14518.1161 245.9207 -203625.3813 2721.2186 0.0000 0.0000 51852.6470 -109756.1287 297.9979 -161608.7757 -109385.9114 299.0011 1.7003 32.8027 760261.5599 7.8672 7.8135 PRESSURE: 4464600 -138.852 -44.7746 175.831 -44.775 -99.6973 -242.191 175.831 -242.191 182.752 GPRESSURE: 4464600 -109.718 23.7248 202.125 -88.0955 -73.6029 -312.787 227.988 -172.136 197.945 PRESSAVG: 4464600 64.7223 -31.6141 29.5569 -31.6141 -76.6872 -55.8076 29.5568 -55.8076 0.210003 GPRESSAVG: 4464600 66.8145 -32.1703 30.9565 -29.6132 -78.723 -57.4446 30.5325 -54.557 0.309779 TIMING: 4464600 CPU: 14117.4, 0.00313383/step Wall: 14117.4, 0.00313383/step, 0.46607 hours remaining, 236.613281 MB of memory in use. ENERGY: 4464600 3992.3519 20418.8989 14481.2105 250.2329 -203492.0867 2565.0256 0.0000 0.0000 51836.6724 -109947.6945 297.9061 -161784.3668 -109584.7884 298.5228 -18.5990 4.8750 762003.0575 -3.9183 -3.8662 PRESSURE: 4464800 -176.576 173.745 -112.795 173.746 -366.398 -225.352 -112.796 -225.351 -65.8618 GPRESSURE: 4464800 -251.25 21.1125 -95.2822 101.106 -216.752 -236.767 48.3968 -258.252 -57.9064 PRESSAVG: 4464800 11.0621 -12.7324 47.434 -12.7324 52.8167 -20.7633 47.434 -20.7633 -14.4004 GPRESSAVG: 4464800 8.68675 -12.8231 45.6588 -14.7562 55.3569 -18.4531 46.87 -21.4775 -14.9391 TIMING: 4464800 CPU: 14118, 0.00313671/step Wall: 14118, 0.00313671/step, 0.466325 hours remaining, 236.613281 MB of memory in use. ENERGY: 4464800 4006.0658 20596.2828 14477.3702 258.9072 -203070.8706 2318.2050 0.0000 0.0000 51776.1890 -109637.8505 297.5585 -161414.0396 -109275.1184 298.8295 -202.9450 -175.3028 761504.7491 16.4928 16.3682 PRESSURE: 4465000 -235.718 -158.565 -27.0246 -158.566 -143.356 -32.533 -27.0246 -32.5336 163.664 GPRESSURE: 4465000 -108.475 -221.017 -102.112 -141.479 -160.351 -37.995 -40.8656 91.8557 154.161 PRESSAVG: 4465000 14.7266 -10.3985 12.5319 -10.3984 73.7623 17.4413 12.5319 17.4414 2.46442 GPRESSAVG: 4465000 15.8237 -12.3767 13.9533 -8.33228 73.0942 15.8493 13.2689 16.7103 2.20478 TIMING: 4465000 CPU: 14118.7, 0.00314058/step Wall: 14118.7, 0.00314058/step, 0.466725 hours remaining, 236.613281 MB of memory in use. ENERGY: 4465000 3967.0765 20456.8548 14455.6414 266.4741 -203045.8779 2347.1845 0.0000 0.0000 52123.4709 -109429.1757 299.5543 -161552.6466 -109060.8665 299.4857 -71.8034 -38.2219 761863.6808 30.3178 30.3742 PRESSURE: 4465200 244.121 31.2569 -185.53 31.2567 182.636 126.853 -185.529 126.853 36.3164 GPRESSURE: 4465200 258.755 77.0541 -222.022 66.8534 229.842 167.988 -147.865 171.873 58.0516 PRESSAVG: 4465200 25.093 -19.9797 12.5355 -19.9797 -8.44216 11.2941 12.5354 11.2941 -24.0797 GPRESSAVG: 4465200 24.2578 -19.3305 10.2211 -20.6721 -8.29066 12.0723 11.8795 11.8009 -23.6126 TIMING: 4465200 CPU: 14119.3, 0.00312251/step Wall: 14119.3, 0.00312251/step, 0.463866 hours remaining, 236.613281 MB of memory in use. ENERGY: 4465200 3993.6526 20576.0922 14471.1753 248.9665 -203486.7393 2511.6642 0.0000 0.0000 52101.6006 -109583.5880 299.4286 -161685.1886 -109215.8059 298.9391 154.3580 182.2164 759596.5136 -2.4763 -2.5485 PRESSURE: 4465400 -161.516 -11.5951 162.543 -11.5958 -353.968 -71.8848 162.543 -71.8845 -239.503 GPRESSURE: 4465400 -101.737 13.2688 113.687 -132.329 -300.3 -129.682 81.0906 -44.6566 -274.157 PRESSAVG: 4465400 59.2599 -16.0964 -12.6877 -16.0964 -42.2906 -27.9938 -12.6878 -27.9937 -5.14935 GPRESSAVG: 4465400 58.8766 -15.3473 -13.9331 -17.1925 -40.3897 -27.7937 -11.8778 -30.011 -6.81331 TIMING: 4465400 CPU: 14119.9, 0.00312353/step Wall: 14119.9, 0.00312353/step, 0.463844 hours remaining, 236.613281 MB of memory in use. ENERGY: 4465400 4054.0594 20573.0447 14493.5539 255.4586 -203009.8882 2328.5351 0.0000 0.0000 51932.9828 -109372.2536 298.4596 -161305.2365 -108999.9345 298.8372 -251.6623 -225.3981 761768.7349 3.9400 3.8912 PRESSURE: 4465600 699.624 77.2143 35.1505 77.2141 229.891 84.1647 35.1512 84.1647 -212.524 GPRESSURE: 4465600 654.71 55.0495 27.8602 35.5563 299.457 103.426 58.5344 109.733 -170.495 PRESSAVG: 4465600 -0.545389 -34.5035 29.0968 -34.5035 -16.2374 15.5188 29.0968 15.5189 -5.50155 GPRESSAVG: 4465600 -0.831224 -33.9971 29.1206 -34.1785 -16.9758 16.0676 31.6009 16.12 -4.2011 TIMING: 4465600 CPU: 14120.5, 0.00314369/step Wall: 14120.5, 0.00314369/step, 0.466663 hours remaining, 236.613281 MB of memory in use. ENERGY: 4465600 4019.4389 20462.5727 14530.1732 246.5938 -203497.9890 2819.3638 0.0000 0.0000 52145.5806 -109274.2660 299.6814 -161419.8465 -108916.6352 299.7307 238.9969 261.2240 760422.0478 -7.4281 -7.3361 PRESSURE: 4465800 293.188 87.2543 139.211 87.2537 339.649 66.0985 139.211 66.0987 -94.0776 GPRESSURE: 4465800 465.285 49.2035 209.11 71.5767 244.029 47.139 115.534 -13.3163 -63.8062 PRESSAVG: 4465800 45.9596 7.23517 -49.756 7.23514 -21.5063 19.3546 -49.756 19.3546 19.2247 GPRESSAVG: 4465800 48.0632 7.48258 -48.6695 9.33141 -23.8908 18.5899 -52.7244 20.1804 19.4928 TIMING: 4465800 CPU: 14121.2, 0.00315545/step Wall: 14121.2, 0.00315545/step, 0.468234 hours remaining, 236.613281 MB of memory in use. ENERGY: 4465800 3910.9480 20558.8892 14553.0639 256.9492 -203569.1793 2797.7241 0.0000 0.0000 52213.4430 -109278.1619 300.0714 -161491.6049 -108912.6926 299.5707 179.5864 215.1692 759795.7856 14.5593 14.5551 PRESSURE: 4466000 -175.517 -127.069 273.552 -127.07 -72.6403 -136.782 273.551 -136.782 44.7619 GPRESSURE: 4466000 -126.243 -44.0717 207.416 73.8921 -42.9488 -212.014 203.342 -79.9097 72.0761 PRESSAVG: 4466000 -17.6074 8.31258 -34.9228 8.31259 -24.6046 12.7558 -34.9228 12.7559 17.3484 GPRESSAVG: 4466000 -17.9161 6.90944 -35.2046 5.88245 -24.0491 12.7337 -34.3705 10.6488 17.8223 TIMING: 4466000 CPU: 14121.8, 0.00314092/step Wall: 14121.8, 0.00314092/step, 0.465904 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: 4466000 4009.9387 20607.7127 14413.6769 240.5924 -203211.8491 2819.6465 0.0000 0.0000 51899.7299 -109220.5520 298.2685 -161120.2819 -108862.5561 299.9223 -67.7983 -32.3718 761897.1566 -8.2879 -8.0476 PRESSURE: 4466200 -211.166 -40.4349 107.859 -40.4346 -85.306 100.254 107.859 100.255 -354.393 GPRESSURE: 4466200 -193.236 45.7567 24.271 96.143 -69.9025 171.903 137.01 20.1226 -292.803 PRESSAVG: 4466200 21.6933 12.3064 15.0113 12.3065 -30.803 -10.5809 15.0112 -10.5809 20.7738 GPRESSAVG: 4466200 21.141 15.5224 14.4347 11.9204 -29.5016 -9.78109 15.2274 -9.24552 19.7271 TIMING: 4466200 CPU: 14122.4, 0.00316374/step Wall: 14122.4, 0.00316374/step, 0.469112 hours remaining, 236.613281 MB of memory in use. ENERGY: 4466200 4047.2716 20569.6174 14566.8773 240.1863 -203579.4016 2710.1982 0.0000 0.0000 52146.9972 -109298.2537 299.6895 -161445.2508 -108937.3918 299.4657 -216.9549 -185.3138 761837.2107 3.8880 3.7888 PRESSURE: 4466400 221.616 -124.318 -17.3791 -124.318 -56.6756 39.987 -17.379 39.9872 527.739 GPRESSURE: 4466400 207.557 -60.2029 28.1996 8.72712 35.1778 -15.9118 2.85283 4.58981 518.277 PRESSAVG: 4466400 42.9523 -23.0875 -51.3812 -23.0875 -41.9832 38.3643 -51.3812 38.3642 -13.1451 GPRESSAVG: 4466400 42.4382 -26.0226 -51.3995 -20.2835 -43.1494 38.8554 -49.0858 37.4284 -11.0861 TIMING: 4466400 CPU: 14123.1, 0.0031587/step Wall: 14123.1, 0.0031587/step, 0.468189 hours remaining, 236.613281 MB of memory in use. ENERGY: 4466400 4020.5826 20517.3658 14517.2889 236.5305 -203403.5312 2690.0850 0.0000 0.0000 52144.1081 -109277.5702 299.6729 -161421.6784 -108907.6686 299.7585 230.8931 253.6704 764602.3290 -4.0586 -3.9324 PRESSURE: 4466600 70.6624 153.643 -332.015 153.643 -155.292 203.341 -332.014 203.342 92.7917 GPRESSURE: 4466600 21.7778 96.8445 -341.781 60.2414 -85.2566 202.503 -250.549 117.872 140.421 PRESSAVG: 4466600 15.9877 32.3454 -66.1858 32.3454 2.40363 -13.6596 -66.1859 -13.6595 -2.11975 GPRESSAVG: 4466600 16.7683 32.3388 -65.0095 32.0585 3.40086 -15.5109 -68.6136 -10.5418 -4.13822 TIMING: 4466600 CPU: 14123.7, 0.00316061/step Wall: 14123.7, 0.00316061/step, 0.468297 hours remaining, 236.613281 MB of memory in use. ENERGY: 4466600 3927.0731 20612.5222 14508.9288 241.0759 -203470.3532 2534.8888 0.0000 0.0000 52162.6279 -109483.2364 299.7793 -161645.8643 -109110.4619 299.2727 2.7206 25.6474 762159.0421 5.4238 5.3437 PRESSURE: 4466800 29.0508 -153.237 -8.59068 -153.237 1.81169 -11.2134 -8.59083 -11.2127 179.427 GPRESSURE: 4466800 65.8376 -221.285 -42.2967 -235.681 54.3277 -51.695 119.933 91.6207 179.957 PRESSAVG: 4466800 -14.7052 7.38545 -25.5083 7.38544 -3.59497 15.0511 -25.5083 15.0511 -8.04083 GPRESSAVG: 4466800 -14.9063 7.89951 -27.4257 6.66425 -3.45879 13.5552 -25.0399 15.1575 -8.07064 TIMING: 4466800 CPU: 14124.3, 0.00315442/step Wall: 14124.3, 0.00315442/step, 0.467204 hours remaining, 236.613281 MB of memory in use. ENERGY: 4466800 3998.7927 20552.1073 14449.1985 266.4933 -203539.6012 2738.3264 0.0000 0.0000 51854.8913 -109679.7916 298.0108 -161534.6830 -109329.9108 298.7039 70.0966 100.0409 763261.6361 -8.7803 -8.8119 PRESSURE: 4467000 255.369 97.3179 -63.2993 97.3175 -91.0682 240.291 -63.3003 240.29 50.1064 GPRESSURE: 4467000 204.043 42.9531 -60.0403 23.0851 -3.81873 191.245 -22.8098 50.5336 65.4853 PRESSAVG: 4467000 67.8843 -34.1845 24.591 -34.1845 -85.9609 -19.0291 24.5909 -19.0291 11.3123 GPRESSAVG: 4467000 67.5371 -32.6486 25.21 -38.4281 -86.2609 -19.0701 25.7661 -19.8097 12.6633 TIMING: 4467000 CPU: 14124.9, 0.00315229/step Wall: 14124.9, 0.00315229/step, 0.466714 hours remaining, 236.613281 MB of memory in use. ENERGY: 4467000 3947.9952 20607.2312 14538.8068 259.2780 -203919.3859 2801.0298 0.0000 0.0000 52109.5668 -109655.4780 299.4744 -161765.0448 -109294.6381 299.0289 71.4689 88.5699 761532.4727 -2.2548 -2.0202 PRESSURE: 4467200 271.095 82.4799 -117.557 82.48 -229.046 1.81725 -117.557 1.81785 206.998 GPRESSURE: 4467200 276.52 40.8606 -199.951 -2.24794 -203.492 -18.3474 -51.9751 41.597 256.066 PRESSAVG: 4467200 28.1958 -6.19584 -6.11747 -6.19586 -36.1452 -18.2096 -6.11745 -18.2096 -24.3239 GPRESSAVG: 4467200 28.9264 -7.45719 -4.99824 -3.60514 -36.4837 -16.6825 -6.49894 -19.279 -25.1954 TIMING: 4467200 CPU: 14125.6, 0.00315853/step Wall: 14125.6, 0.00315853/step, 0.467462 hours remaining, 236.613281 MB of memory in use. ENERGY: 4467200 3960.2536 20396.3926 14464.9766 237.8694 -203425.4289 2573.6787 0.0000 0.0000 51958.6373 -109833.6207 298.6070 -161792.2580 -109476.8508 298.3435 83.0156 109.6982 762497.6315 -10.7578 -10.9176 PRESSURE: 4467400 52.2884 -95.4341 115.626 -95.4338 -94.8617 -152.381 115.626 -152.38 -6.7305 GPRESSURE: 4467400 64.0661 -8.46931 192.069 -155.86 -19.2831 -40.3604 115.729 5.87429 -4.0832 PRESSAVG: 4467400 29.5822 -13.2023 6.98724 -13.2022 -6.607 -16.856 6.98722 -16.856 19.6844 GPRESSAVG: 4467400 28.1177 -12.5288 6.545 -12.6572 -4.82444 -16.5471 6.77461 -16.5275 19.6217 TIMING: 4467400 CPU: 14126.2, 0.00314653/step Wall: 14126.2, 0.00314653/step, 0.465511 hours remaining, 236.613281 MB of memory in use. ENERGY: 4467400 4013.8966 20371.1719 14504.7759 263.8888 -203923.2586 2868.2198 0.0000 0.0000 51975.1366 -109926.1689 298.7018 -161901.3055 -109573.0577 298.5193 -16.4346 13.5666 761267.5986 14.2199 14.3050 PRESSURE: 4467600 282.317 -86.9945 114.261 -86.9948 127.871 -346.767 114.26 -346.766 79.281 GPRESSURE: 4467600 368.785 -138.596 96.2268 -131.629 95.0685 -393.277 157.562 -328.459 108.774 PRESSAVG: 4467600 51.0501 -18.8211 -56.384 -18.8211 -15.2555 -41.3011 -56.384 -41.301 -14.2438 GPRESSAVG: 4467600 51.7652 -18.6046 -57.6383 -18.1228 -15.2096 -43.4445 -56.8163 -39.9112 -14.462 TIMING: 4467600 CPU: 14126.8, 0.00314609/step Wall: 14126.8, 0.00314609/step, 0.465271 hours remaining, 236.613281 MB of memory in use. ENERGY: 4467600 3998.8953 20380.8208 14511.5219 236.1164 -203757.2524 2863.5401 0.0000 0.0000 51743.8882 -110022.4697 297.3728 -161766.3579 -109653.1835 298.0343 163.1565 190.8758 761204.3130 7.1836 7.3645 PRESSURE: 4467800 -114.523 72.2453 -60.4254 72.2452 -259.344 27.4426 -60.4261 27.4436 -210.176 GPRESSURE: 4467800 -86.191 -4.14432 -7.14879 68.3614 -218.407 18.8926 -232.06 -41.4109 -197.628 PRESSAVG: 4467800 10.9135 -24.658 0.317332 -24.658 -8.03161 -38.3577 0.317366 -38.3577 -3.59737 GPRESSAVG: 4467800 10.7151 -24.6756 0.236834 -26.2505 -8.46552 -37.1389 1.1464 -39.9249 -3.06246 TIMING: 4467800 CPU: 14127.5, 0.00316081/step Wall: 14127.5, 0.00316081/step, 0.467273 hours remaining, 236.613281 MB of memory in use. ENERGY: 4467800 4012.0283 20502.5767 14507.9341 281.6509 -202945.4871 2241.1677 0.0000 0.0000 51800.3557 -109599.7738 297.6974 -161400.1295 -109248.1534 299.0279 -194.6810 -167.4087 761931.8835 -0.2385 -0.2710 PRESSURE: 4468000 -54.6879 28.1828 -10.8868 28.1826 -131.89 22.7525 -10.8868 22.7527 -258.781 GPRESSURE: 4468000 -27.119 131.443 -140.139 -2.02305 -150.174 -18.0395 -23.4248 -6.48017 -198.441 PRESSAVG: 4468000 -9.26561 -13.0428 -23.6778 -13.0428 -0.217145 -34.7949 -23.6778 -34.7949 13.8797 GPRESSAVG: 4468000 -8.95491 -13.0907 -22.7329 -12.4186 -1.00231 -32.8483 -24.2012 -35.5844 13.8203 TIMING: 4468000 CPU: 14128.1, 0.00315973/step Wall: 14128.1, 0.00315973/step, 0.466938 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: 4468000 3971.3589 20299.6326 14462.0035 242.7349 -202973.8942 2432.6443 0.0000 0.0000 51694.9844 -109870.5355 297.0918 -161565.5199 -109507.0501 298.6757 -148.4529 -125.2447 763396.2265 1.4656 1.2877 PRESSURE: 4468200 -34.2171 -293.113 -78.7399 -293.113 -2.22494 -19.6153 -78.7397 -19.6164 -222.109 GPRESSURE: 4468200 -10.4714 -352.014 8.15516 -220.936 53.7312 17.1064 -101.161 -34.1418 -216.19 PRESSAVG: 4468200 12.7806 -29.4888 17.7149 -29.4888 -25.9469 -9.06866 17.715 -9.06865 -14.9087 GPRESSAVG: 4468200 12.6067 -28.3393 18.9784 -29.5841 -25.7094 -8.5824 18.3929 -9.59252 -14.7951 TIMING: 4468200 CPU: 14128.7, 0.00313488/step Wall: 14128.7, 0.00313488/step, 0.463092 hours remaining, 236.613281 MB of memory in use. ENERGY: 4468200 3948.3030 20294.8732 14496.7270 224.4875 -203349.6280 2613.1366 0.0000 0.0000 52039.6841 -109732.4165 299.0728 -161772.1006 -109363.1544 298.0347 -86.1837 -57.6435 761485.3761 -9.3583 -9.2993 LDB: ============= START OF LOAD BALANCING ============== 14141.3 LDB: ============== END OF LOAD BALANCING =============== 14141.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14141.3 LDB: ============= START OF LOAD BALANCING ============== 14141.6 LDB: Largest compute 7078 load 0.034619 is 17.7% of average load 0.195690 LDB: Average compute 0.004370 is 2.2% of average load 0.195690 LDB: TIME 14141.6 LOAD: AVG 0.19569 MAX 0.213513 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 14141.6 LOAD: AVG 0.19569 MAX 0.213513 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.539 MB LDB: TIME 14141.6 LOAD: AVG 0.19569 MAX 0.213513 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.539 MB LDB: ============== END OF LOAD BALANCING =============== 14141.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14141.6 PRESSURE: 4468400 50.0148 -38.9249 57.5527 -38.9251 84.7329 -124.004 57.5526 -124.005 -123.613 GPRESSURE: 4468400 35.6741 -25.3085 32.9513 -30.1889 153.201 -103.013 12.5037 -112.356 -88.4212 PRESSAVG: 4468400 79.1801 12.911 19.3503 12.9109 -58.9733 -19.7188 19.3503 -19.7188 6.26572 GPRESSAVG: 4468400 78.4545 13.2223 19.0939 12.8952 -58.7017 -20.0632 20.022 -20.6084 6.44703 TIMING: 4468400 CPU: 14129.4, 0.00320574/step Wall: 14129.4, 0.00320574/step, 0.47338 hours remaining, 235.394531 MB of memory in use. ENERGY: 4468400 4027.0878 20366.7179 14454.2200 257.8867 -203279.3096 2495.4464 0.0000 0.0000 52083.5815 -109594.3693 299.3251 -161677.9508 -109248.5417 298.4761 3.7116 33.4847 760303.2653 8.8242 8.7333 PRESSURE: 4468600 340.781 -279.381 269.271 -279.38 -71.9299 -247.49 269.272 -247.49 90.864 GPRESSURE: 4468600 374.485 -243.747 248.442 -223.262 -33.7139 -211.361 292.685 -121.308 97.2423 PRESSAVG: 4468600 24.5116 -54.0821 -1.90181 -54.082 -70.6874 10.4647 -1.90175 10.4647 -9.93986 GPRESSAVG: 4468600 24.7308 -56.7207 -2.79634 -52.7942 -71.3478 9.41765 -1.55356 13.6046 -9.46002 TIMING: 4468600 CPU: 14130, 0.00315097/step Wall: 14130, 0.00315097/step, 0.465118 hours remaining, 235.664062 MB of memory in use. ENERGY: 4468600 3947.0869 20339.5561 14434.6521 245.2613 -203493.0013 2782.5838 0.0000 0.0000 52054.9338 -109688.9273 299.1604 -161743.8611 -109334.6007 298.7793 119.9050 146.0044 761629.8165 -18.7052 -18.6923 PRESSURE: 4468800 -63.4853 17.629 4.25582 17.6294 -81.2918 -98.734 4.25522 -98.7347 45.9477 GPRESSURE: 4468800 -107.244 166.824 79.3877 -62.3812 88.4279 -169.221 13.673 -97.4273 16.1037 PRESSAVG: 4468800 -6.71771 9.69655 24.8186 9.69659 -27.1774 65.1554 24.8187 65.1554 -18.0596 GPRESSAVG: 4468800 -6.06242 13.333 24.4585 8.84962 -25.9289 66.2627 23.2632 64.7196 -19.9702 TIMING: 4468800 CPU: 14130.6, 0.00313869/step Wall: 14130.6, 0.00313869/step, 0.463131 hours remaining, 235.867188 MB of memory in use. ENERGY: 4468800 4001.2837 20562.4170 14491.6091 244.9360 -203382.6250 2645.4723 0.0000 0.0000 51641.7573 -109795.1496 296.7859 -161436.9070 -109455.3589 298.5782 -32.9431 -0.9042 763171.9302 -17.3183 -17.3205 PRESSURE: 4469000 373.692 141.948 60.8038 141.949 -194.622 -151.74 60.8044 -151.739 -171.034 GPRESSURE: 4469000 326.107 72.8765 153.613 133.036 -126.099 -65.7637 109.759 -313.587 -108.099 PRESSAVG: 4469000 -8.31123 35.5735 5.95048 35.5734 -38.5318 34.2307 5.95041 34.2308 -2.60463 GPRESSAVG: 4469000 -7.12515 35.1412 6.35219 35.3063 -40.7957 34.8001 5.45562 32.7527 -1.7349 TIMING: 4469000 CPU: 14131.3, 0.00311811/step Wall: 14131.3, 0.00311811/step, 0.459921 hours remaining, 235.867188 MB of memory in use. ENERGY: 4469000 4014.5166 20345.8081 14544.1602 239.8431 -203123.1258 2488.4803 0.0000 0.0000 51575.7963 -109914.5212 296.4068 -161490.3175 -109549.7882 297.7790 2.6788 30.6360 762682.3130 -16.4826 -16.5519 PRESSURE: 4469200 31.2942 31.2833 234.284 31.2835 205.131 118.15 234.285 118.15 -362.795 GPRESSURE: 4469200 164.097 65.2606 212.252 69.5921 160.461 209.049 290.292 26.46 -380.493 PRESSAVG: 4469200 2.84282 29.1208 22.42 29.1207 60.9004 -7.19716 22.42 -7.19716 17.0379 GPRESSAVG: 4469200 3.2995 26.0927 24.2518 30.8618 61.0558 -9.40324 22.6521 -6.0137 16.6662 TIMING: 4469200 CPU: 14131.9, 0.00312818/step Wall: 14131.9, 0.00312818/step, 0.461233 hours remaining, 235.867188 MB of memory in use. ENERGY: 4469200 3962.6664 20400.1858 14534.9663 238.1825 -203253.9696 2492.4135 0.0000 0.0000 51693.7202 -109931.8348 297.0845 -161625.5551 -109574.5182 297.9648 -42.1232 -18.6450 759750.8484 26.9270 27.0072 PRESSURE: 4469400 -74.5371 51.6745 79.0322 51.6742 -83.4098 -177.11 79.0331 -177.11 43.3365 GPRESSURE: 4469400 -44.7746 -9.86073 70.6707 56.1856 -53.2459 -198.745 142.17 -166.953 49.7219 PRESSAVG: 4469400 24.8456 -49.0754 76.2334 -49.0753 -26.3119 -5.15008 76.2335 -5.15013 -25.5292 GPRESSAVG: 4469400 24.8929 -48.5222 75.1462 -48.9648 -25.7092 -4.58255 75.3688 -4.59568 -25.9091 TIMING: 4469400 CPU: 14132.5, 0.00311922/step Wall: 14132.5, 0.00311922/step, 0.459739 hours remaining, 235.867188 MB of memory in use. ENERGY: 4469400 3975.1923 20462.3724 14513.2349 221.8023 -203555.3896 2630.4471 0.0000 0.0000 52035.5399 -109716.8005 299.0490 -161752.3404 -109364.7893 298.1592 -38.2035 -16.0995 760195.0101 -8.9985 -8.9084 PRESSURE: 4469600 -110.173 -276.25 19.8623 -276.25 -258.811 117.023 19.8621 117.022 20.3404 GPRESSURE: 4469600 -9.47669 -170.626 -54.6811 -224.809 -203.507 139.858 -2.24065 -32.2667 -32.312 PRESSAVG: 4469600 -30.1871 -5.12399 0.715457 -5.12405 19.9961 41.4222 0.715429 41.4222 26.2717 GPRESSAVG: 4469600 -31.5888 -3.41521 0.798037 -7.35733 21.6056 41.4844 0.819161 38.6244 25.8585 TIMING: 4469600 CPU: 14133.1, 0.00313259/step Wall: 14133.1, 0.00313259/step, 0.461535 hours remaining, 235.867188 MB of memory in use. ENERGY: 4469600 3947.5342 20388.1156 14588.2771 256.4047 -203623.4750 2779.5294 0.0000 0.0000 52068.1861 -109595.4278 299.2366 -161663.6139 -109237.0813 298.5567 -116.2144 -81.7651 760638.8940 5.3603 5.2918 PRESSURE: 4469800 1.57525 106.808 148.115 106.809 -112.357 177.726 148.114 177.725 -160.791 GPRESSURE: 4469800 -7.57495 51.3431 151.648 -11.6177 -102.573 193.809 208.836 161.429 -95.9103 PRESSAVG: 4469800 -14.1651 -10.5383 -30.8722 -10.5383 7.13228 58.5471 -30.8721 58.5471 0.609788 GPRESSAVG: 4469800 -13.9008 -9.30421 -31.5104 -10.7649 5.88931 57.6151 -29.0263 60.0733 1.58914 TIMING: 4469800 CPU: 14133.8, 0.00314409/step Wall: 14133.8, 0.00314409/step, 0.463055 hours remaining, 235.867188 MB of memory in use. ENERGY: 4469800 4007.9850 20492.1435 14499.7897 240.8887 -202796.5848 2137.9173 0.0000 0.0000 51984.1199 -109433.7406 298.7535 -161417.8605 -109069.1884 299.1616 -90.5242 -68.6861 759984.8525 -2.1410 -2.1408 PRESSURE: 4470000 3.96575 180.372 67.0781 180.372 276.137 27.1926 67.0782 27.1933 177.677 GPRESSURE: 4470000 -50.7704 142.589 -22.0038 281.026 305.583 10.649 42.1868 96.3696 256.299 PRESSAVG: 4470000 12.1574 18.5189 27.751 18.5189 -17.1828 40.7803 27.7511 40.7802 4.60036 GPRESSAVG: 4470000 13.9752 15.997 27.1019 19.9554 -17.7824 40.5808 29.2585 40.4058 4.10614 TIMING: 4470000 CPU: 14134.4, 0.00316785/step Wall: 14134.4, 0.00316785/step, 0.466377 hours remaining, 235.867188 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: 4470000 3976.8657 20493.5654 14419.6823 241.9104 -203688.6734 2795.6200 0.0000 0.0000 52328.5643 -109432.4653 300.7330 -161761.0296 -109070.9690 299.9016 152.5932 170.3707 760682.0420 -0.1417 0.0997 PRESSURE: 4470200 155.77 -64.2648 -114.604 -64.2643 83.9637 -12.1853 -114.605 -12.1847 -267.316 GPRESSURE: 4470200 253.39 -100.715 -82.6531 -109.796 73.4399 67.8169 62.3439 -88.4248 -277.348 PRESSAVG: 4470200 38.7256 -37.8498 41.5754 -37.8498 0.136591 -1.33512 41.5754 -1.33517 12.1076 GPRESSAVG: 4470200 37.3827 -37.375 43.1866 -37.2902 0.911619 0.549197 40.9041 -1.40168 12.8679 TIMING: 4470200 CPU: 14135, 0.00314005/step Wall: 14135, 0.00314005/step, 0.462111 hours remaining, 235.867188 MB of memory in use. ENERGY: 4470200 3988.0514 20334.9809 14564.2808 250.2350 -203388.0453 2592.7166 0.0000 0.0000 52232.8774 -109424.9034 300.1831 -161657.7807 -109068.6319 299.6892 -9.1942 16.4939 759405.6067 16.9899 17.0541 PRESSURE: 4470400 263.002 49.2322 72.4072 49.2317 231.796 -177.075 72.4073 -177.074 -274.416 GPRESSURE: 4470400 235.933 45.8429 50.263 101.109 307.896 -99.8764 106.335 -57.729 -237.21 PRESSAVG: 4470400 -45.6596 5.55917 -55.5771 5.55921 34.92 10.7518 -55.5771 10.7517 -2.55591 GPRESSAVG: 4470400 -45.1569 6.00313 -57.0975 4.12298 34.4596 9.71816 -52.8684 11.0643 -2.29974 TIMING: 4470400 CPU: 14135.6, 0.00313276/step Wall: 14135.6, 0.00313276/step, 0.460864 hours remaining, 235.867188 MB of memory in use. ENERGY: 4470400 4010.3064 20464.0859 14386.3100 228.6624 -203733.8519 2842.5852 0.0000 0.0000 52158.8000 -109643.1022 299.7573 -161801.9022 -109288.0899 299.2108 73.4607 102.2060 760514.2689 -4.4318 -4.3324 PRESSURE: 4470600 -255.588 -102.414 109.597 -102.414 230.141 -170.455 109.598 -170.455 257.853 GPRESSURE: 4470600 -206.447 -75.6069 100.466 -21.5455 264.064 -217.917 89.5387 -189.172 252.638 PRESSAVG: 4470600 -27.2957 9.42203 49.4975 9.42196 40.4037 -23.497 49.4976 -23.497 -10.0804 GPRESSAVG: 4470600 -27.1959 10.7596 50.3062 10.7421 41.0654 -23.5275 46.0962 -23.4086 -11.0554 TIMING: 4470600 CPU: 14136.3, 0.00316213/step Wall: 14136.3, 0.00316213/step, 0.465009 hours remaining, 235.867188 MB of memory in use. ENERGY: 4470600 3962.0771 20206.4404 14519.9540 241.2880 -203239.2575 2508.7577 0.0000 0.0000 51942.0404 -109858.7000 298.5116 -161800.7403 -109491.4238 298.8929 77.4685 103.4185 761125.5861 1.0092 0.9380 PRESSURE: 4470800 207.104 165.287 118.629 165.288 127.898 144.88 118.629 144.88 345.695 GPRESSURE: 4470800 234.393 19.3467 183.961 79.3852 134.655 116.759 -23.5454 5.64294 384.865 PRESSAVG: 4470800 13.3167 -28.736 -2.94246 -28.7359 6.3178 1.60161 -2.94244 1.60166 20.1937 GPRESSAVG: 4470800 12.0454 -30.7314 -3.25829 -29.5867 6.9039 0.611419 -0.747576 -0.135694 20.9184 TIMING: 4470800 CPU: 14136.9, 0.00314569/step Wall: 14136.9, 0.00314569/step, 0.462416 hours remaining, 235.867188 MB of memory in use. ENERGY: 4470800 3994.8534 20308.5329 14414.1361 262.6299 -203510.4915 2651.7933 0.0000 0.0000 51917.1132 -109961.4326 298.3684 -161878.5458 -109605.9838 298.8154 226.8987 251.3041 759945.8717 13.2761 13.2892 PRESSURE: 4471000 182.651 -32.7227 -36.3565 -32.7224 80.3457 -307.959 -36.3568 -307.959 197.91 GPRESSURE: 4471000 175.092 -39.1326 -183.175 -116.77 182.788 -252.648 -13.3292 -201.988 195.909 PRESSAVG: 4471000 -10.1178 -2.13223 -20.2403 -2.13229 1.99655 -25.9471 -20.2403 -25.9472 19.1162 GPRESSAVG: 4471000 -9.67973 -2.16338 -20.025 -0.899921 1.10638 -23.8772 -23.664 -24.6754 19.1632 TIMING: 4471000 CPU: 14137.5, 0.00312857/step Wall: 14137.5, 0.00312857/step, 0.459726 hours remaining, 235.867188 MB of memory in use. ENERGY: 4471000 3994.0645 20445.1862 14541.8667 247.1538 -204130.2117 2884.4307 0.0000 0.0000 51988.1027 -110029.4071 298.7763 -162017.5098 -109672.9873 298.6466 153.6358 184.5961 758309.1407 3.6650 3.5300 PRESSURE: 4471200 -31.6569 63.206 -218.669 63.206 84.4484 307.41 -218.669 307.409 52.2492 GPRESSURE: 4471200 101.834 28.5799 -227.924 53.2341 78.5236 247.389 -94.6072 226.809 27.0838 PRESSAVG: 4471200 2.09095 -4.39532 1.30444 -4.39529 -25.8929 34.1939 1.30445 34.1938 24.5273 GPRESSAVG: 4471200 2.73977 -2.26037 2.18129 -6.39306 -26.1602 34.6091 3.15036 32.1222 24.0901 TIMING: 4471200 CPU: 14138.2, 0.00313043/step Wall: 14138.2, 0.00313043/step, 0.459825 hours remaining, 235.867188 MB of memory in use. ENERGY: 4471200 4031.8829 20233.0773 14510.0952 232.4683 -203767.0732 2688.8464 0.0000 0.0000 52060.4519 -110010.2513 299.1921 -162070.7032 -109641.7063 298.2127 35.0136 69.1472 760921.4845 0.2418 0.2232 PRESSURE: 4471400 -14.4928 -25.3793 -112.334 -25.3785 -150.681 94.7605 -112.333 94.7614 -216.748 GPRESSURE: 4471400 -62.0413 -126.082 -95.9817 39.26 -122.129 45.2127 -35.1267 -12.3168 -107.69 PRESSAVG: 4471400 -47.4843 -11.0112 25.2635 -11.0112 24.545 -40.7586 25.2635 -40.7586 3.44602 GPRESSAVG: 4471400 -47.143 -12.1345 24.9967 -9.97639 24.7081 -42.8579 24.6012 -41.0826 2.9205 TIMING: 4471400 CPU: 14138.8, 0.00317557/step Wall: 14138.8, 0.00317557/step, 0.46628 hours remaining, 235.867188 MB of memory in use. ENERGY: 4471400 3992.9661 20401.7081 14556.1770 241.6833 -203816.0493 2698.5659 0.0000 0.0000 51910.6476 -110014.3012 298.3312 -161924.9489 -109650.1193 298.0314 -127.3071 -97.2868 760067.4407 -6.4978 -6.5048 PRESSURE: 4471600 -22.6462 -44.7063 47.1121 -44.7054 -96.6046 -5.45124 47.1128 -5.45261 176.246 GPRESSURE: 4471600 -0.591243 47.7267 19.481 -79.4294 24.5664 26.3538 82.078 99.3368 97.4241 PRESSAVG: 4471600 51.7147 -29.1183 -8.86259 -29.1184 -24.2282 -9.75551 -8.86256 -9.75553 -11.9861 GPRESSAVG: 4471600 51.2237 -28.7482 -8.53682 -27.6358 -23.592 -7.85418 -8.87385 -4.64446 -12.0543 TIMING: 4471600 CPU: 14139.4, 0.00317603/step Wall: 14139.4, 0.00317603/step, 0.46617 hours remaining, 235.867188 MB of memory in use. ENERGY: 4471600 3916.3375 20527.2819 14513.4805 232.0395 -203702.7398 2565.6062 0.0000 0.0000 51936.5011 -110011.4931 298.4798 -161947.9942 -109650.5463 298.5237 18.9985 40.4664 761149.3664 5.1668 5.1924 PRESSURE: 4471800 -111.41 61.8982 186.921 61.8983 -111.501 97.2615 186.92 97.2617 174.459 GPRESSURE: 4471800 -39.3853 155.778 218.692 176.745 -27.1886 125.142 102.572 -22.1689 89.7322 PRESSAVG: 4471800 -3.31395 -54.9034 2.22917 -54.9034 -12.5983 6.043 2.22919 6.04299 -4.42047 GPRESSAVG: 4471800 -1.81843 -54.4711 2.33235 -55.9804 -14.3835 4.11318 1.88823 3.03023 -4.0626 TIMING: 4471800 CPU: 14140.1, 0.00315308/step Wall: 14140.1, 0.00315308/step, 0.462627 hours remaining, 235.867188 MB of memory in use. ENERGY: 4471800 4030.8162 20363.4073 14424.0368 245.6707 -203675.2582 2531.6877 0.0000 0.0000 52036.8434 -110042.7960 299.0565 -162079.6394 -109677.1241 298.0081 -16.1506 7.7194 759952.5753 -6.7776 -6.7548 PRESSURE: 4472000 113.204 62.1608 17.7889 62.1617 294.483 53.4509 17.7881 53.4503 69.4474 GPRESSURE: 4472000 107.853 66.1216 -12.2492 30.3307 350.555 34.7659 -10.594 -17.0861 98.8952 PRESSAVG: 4472000 -20.8081 -49.0982 -17.7839 -49.0982 47.3782 -12.1112 -17.7839 -12.1111 9.60389 GPRESSAVG: 4472000 -21.9687 -49.7539 -19.5755 -48.7228 49.1043 -9.25199 -16.523 -14.4383 9.48787 TIMING: 4472000 CPU: 14140.7, 0.00313934/step Wall: 14140.7, 0.00313934/step, 0.460436 hours remaining, 235.867188 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: 4472000 4001.0556 20526.0120 14490.0671 244.6166 -204082.1096 2973.8061 0.0000 0.0000 51933.1471 -109913.4051 298.4605 -161846.5522 -109550.7953 298.6944 159.0448 185.7678 758677.0318 12.0580 12.2078 PRESSURE: 4472200 -85.0011 -157.914 -53.9409 -157.914 -72.0287 236.415 -53.9403 236.415 -136.074 GPRESSURE: 4472200 -37.2664 -115.823 9.05834 -108.452 11.2665 249.715 11.5027 244.569 -183.601 PRESSAVG: 4472200 27.6644 -63.3678 -22.6785 -63.3678 -19.1828 -0.367273 -22.6787 -0.367361 29.3214 GPRESSAVG: 4472200 28.2828 -65.5297 -20.962 -63.583 -19.7701 -3.75053 -23.5528 3.53649 29.3872 TIMING: 4472200 CPU: 14141.3, 0.00314644/step Wall: 14141.3, 0.00314644/step, 0.461303 hours remaining, 235.867188 MB of memory in use. ENERGY: 4472200 4031.9488 20437.8321 14504.2408 249.6422 -203649.4722 2547.2668 0.0000 0.0000 51886.2733 -109992.2681 298.1911 -161878.5414 -109633.1663 298.5856 -97.7014 -69.8669 757768.8511 12.6010 12.6333 LDB: ============= START OF LOAD BALANCING ============== 14153.9 LDB: ============== END OF LOAD BALANCING =============== 14153.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14153.9 LDB: ============= START OF LOAD BALANCING ============== 14154.2 LDB: Largest compute 7078 load 0.035106 is 17.9% of average load 0.195632 LDB: Average compute 0.004404 is 2.3% of average load 0.195632 LDB: TIME 14154.2 LOAD: AVG 0.195632 MAX 0.217785 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 14154.2 LOAD: AVG 0.195632 MAX 0.217785 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: TIME 14154.2 LOAD: AVG 0.195632 MAX 0.217785 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: ============== END OF LOAD BALANCING =============== 14154.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14154.2 PRESSURE: 4472400 -539.025 44.5214 27.3098 44.521 -260.703 62.1304 27.311 62.1296 -482.717 GPRESSURE: 4472400 -494.829 -5.73774 -38.684 58.4391 -231.049 94.3267 -49.1198 -16.567 -481.25 PRESSAVG: 4472400 -60.0382 -18.0484 -1.10717 -18.0484 -8.9201 45.7036 -1.10715 45.7036 0.590778 GPRESSAVG: 4472400 -60.9434 -15.0924 -2.86824 -17.3222 -8.25281 47.2182 -1.29649 43.5829 1.11951 TIMING: 4472400 CPU: 14142, 0.00322653/step Wall: 14142, 0.00322653/step, 0.472865 hours remaining, 235.722656 MB of memory in use. ENERGY: 4472400 3978.6297 20614.9047 14534.2981 252.3515 -203393.1988 2385.2410 0.0000 0.0000 51949.3766 -109678.3973 298.5538 -161627.7739 -109319.5751 298.6017 -427.4815 -402.3758 760251.2239 -22.7892 -22.6922 PRESSURE: 4472600 -202.552 -248.055 -8.55882 -248.055 -16.7828 -2.9032 -8.55856 -2.90229 -198.789 GPRESSURE: 4472600 -121.313 -217.843 -6.44727 -184.775 53.032 -14.6302 -64.3365 -5.09734 -252.605 PRESSAVG: 4472600 -57.9347 -24.986 3.55325 -24.986 -5.73944 33.8884 3.55315 33.8885 -0.866547 GPRESSAVG: 4472600 -57.6749 -26.2275 3.58357 -26.3506 -4.92576 32.0394 3.78491 34.5334 -1.72431 TIMING: 4472600 CPU: 14142.6, 0.00314948/step Wall: 14142.6, 0.00314948/step, 0.4614 hours remaining, 236.070312 MB of memory in use. ENERGY: 4472600 3912.9542 20626.2815 14563.6025 238.8598 -203806.4856 2680.0979 0.0000 0.0000 51965.4259 -109819.2638 298.6460 -161784.6898 -109458.4874 299.4078 -139.3747 -106.9620 760766.6614 -21.5136 -21.4417 PRESSURE: 4472800 -169.029 228.834 -124.936 228.833 145.366 -219.174 -124.935 -219.174 70.4881 GPRESSURE: 4472800 -93.4378 168 -81.4084 163.678 88.5751 -182.215 -31.0126 -170.961 114.771 PRESSAVG: 4472800 -0.390848 48.7888 28.487 48.7888 -1.00279 -61.0547 28.487 -61.0546 1.25998 GPRESSAVG: 4472800 -0.257538 49.4511 30.7594 49.7406 -1.49087 -59.8018 26.0504 -61.3214 1.83958 TIMING: 4472800 CPU: 14143.2, 0.0031573/step Wall: 14143.2, 0.0031573/step, 0.462369 hours remaining, 236.273438 MB of memory in use. ENERGY: 4472800 3954.7987 20422.9466 14541.9898 257.2213 -203992.8156 2685.7276 0.0000 0.0000 52126.9852 -110003.1464 299.5745 -162130.1316 -109621.7865 298.2696 15.6082 36.6361 760112.1628 -0.0446 0.0304 PRESSURE: 4473000 379.094 -54.5965 -120.371 -54.5962 -131.209 56.5739 -120.371 56.5719 -140.592 GPRESSURE: 4473000 264.823 -36.7715 -138.877 -206.614 97.4795 85.5805 -70.1203 -87.803 -152.673 PRESSAVG: 4473000 -4.13554 7.66696 22.6762 7.66699 10.7026 -33.6162 22.6761 -33.6163 0.0927537 GPRESSAVG: 4473000 -4.80604 5.582 20.7249 7.3536 11.7594 -34.669 24.4499 -34.7004 0.235495 TIMING: 4473000 CPU: 14143.9, 0.00315964/step Wall: 14143.9, 0.00315964/step, 0.462536 hours remaining, 236.476562 MB of memory in use. ENERGY: 4473000 4005.5310 20520.0457 14512.7023 255.1696 -203637.4383 2553.2412 0.0000 0.0000 52162.8878 -109627.8608 299.7808 -161790.7486 -109257.9322 299.0248 35.7642 69.8766 759348.6196 2.2199 2.3963 PRESSURE: 4473200 -23.4198 -101.692 -39.4332 -101.693 176.253 -77.8457 -39.4328 -77.8447 172.742 GPRESSURE: 4473200 106.505 -293.637 -29.2044 42.6596 171.724 -60.0495 -95.6995 -62.2941 137.367 PRESSAVG: 4473200 0.720493 -9.0487 -18.7466 -9.04873 17.7433 7.32341 -18.7466 7.32339 20.1484 GPRESSAVG: 4473200 1.2662 -8.76607 -18.3492 -8.28184 17.5752 8.29655 -18.9545 7.79089 20.3039 TIMING: 4473200 CPU: 14144.5, 0.00316955/step Wall: 14144.5, 0.00316955/step, 0.463811 hours remaining, 236.476562 MB of memory in use. ENERGY: 4473200 3985.0520 20548.7229 14530.4720 242.1701 -203930.0875 2948.5648 0.0000 0.0000 52209.7860 -109465.3196 300.0504 -161675.1056 -109100.3263 299.6428 108.5252 138.5322 759889.5614 12.8707 13.0484 PRESSURE: 4473400 344.639 124.462 -22.5774 124.462 -41.5052 45.7618 -22.578 45.7619 203.668 GPRESSURE: 4473400 285.747 148.802 -48.4162 71.2485 112.754 87.8919 -140.024 126.841 161.044 PRESSAVG: 4473400 -36.1307 -32.3298 -32.6062 -32.3299 27.6988 -5.49374 -32.6061 -5.49371 -30.271 GPRESSAVG: 4473400 -35.8772 -31.2737 -33.0943 -33.2695 26.6211 -4.22844 -31.5609 -6.15207 -30.3848 TIMING: 4473400 CPU: 14145.1, 0.00315287/step Wall: 14145.1, 0.00315287/step, 0.461194 hours remaining, 236.476562 MB of memory in use. ENERGY: 4473400 3957.0993 20610.9281 14458.0143 252.0514 -203596.0442 2730.3745 0.0000 0.0000 51818.7885 -109768.7882 297.8033 -161587.5767 -109410.0421 298.9143 168.9342 186.5147 759318.3909 -12.9010 -13.2137 PRESSURE: 4473600 110.897 134.126 76.807 134.126 -242.446 -217.007 76.8066 -217.006 98.7315 GPRESSURE: 4473600 57.9934 -2.04545 80.9404 110.994 -145.378 -236.898 147.737 -336.764 147.215 PRESSAVG: 4473600 40.7269 12.5484 -48.8861 12.5485 -20.9208 -10.076 -48.8861 -10.0761 28.0457 GPRESSAVG: 4473600 40.7878 12.6903 -50.4213 12.7228 -20.0561 -12.7934 -49.6883 -5.7259 27.3912 TIMING: 4473600 CPU: 14145.8, 0.00317467/step Wall: 14145.8, 0.00317467/step, 0.464207 hours remaining, 236.476562 MB of memory in use. ENERGY: 4473600 3922.5772 20616.2639 14490.2465 221.6116 -203481.4102 2458.6843 0.0000 0.0000 52192.1048 -109579.9220 299.9487 -161772.0267 -109211.3501 299.2192 -10.9393 19.9433 759263.6275 15.9506 16.0410 PRESSURE: 4473800 240.984 279.494 -245.4 279.494 377.555 -110.892 -245.401 -110.894 -249.16 GPRESSURE: 4473800 200.626 327.5 -251.283 278.091 424.375 -134.727 -250.976 -61.3272 -177.618 PRESSAVG: 4473800 9.27702 7.88947 -7.39694 7.88945 -11.9011 -67.7075 -7.39696 -67.7074 -30.478 GPRESSAVG: 4473800 8.88133 7.21813 -5.96775 8.67524 -11.6148 -66.7359 -8.45242 -71.9247 -29.6443 TIMING: 4473800 CPU: 14146.4, 0.00314971/step Wall: 14146.4, 0.00314971/step, 0.460383 hours remaining, 236.476562 MB of memory in use. ENERGY: 4473800 4011.8468 20580.7840 14427.6167 228.9293 -203614.2174 2674.7842 0.0000 0.0000 51876.0846 -109814.1718 298.1326 -161690.2564 -109447.5012 298.9402 123.1264 149.1275 758561.9599 -11.0340 -10.7926 PRESSURE: 4474000 65.5297 272.756 -18.6311 272.757 214.295 8.42888 -18.6317 8.42887 114.371 GPRESSURE: 4474000 109.31 302.789 -96.6821 274.074 141.903 -41.0301 -6.34778 20.7275 238.639 PRESSAVG: 4474000 -1.69038 23.5482 40.0368 23.5482 41.1288 -12.3557 40.0368 -12.3557 -4.81601 GPRESSAVG: 4474000 -0.805007 24.0481 40.1555 21.0768 39.2482 -12.9139 42.676 -10.1018 -3.76938 TIMING: 4474000 CPU: 14147, 0.00313519/step Wall: 14147, 0.00313519/step, 0.458086 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: 4474000 4004.0915 20457.8852 14503.0244 245.4416 -203963.8098 2857.1380 0.0000 0.0000 52168.8900 -109727.3390 299.8153 -161896.2290 -109366.6367 298.9312 131.3983 163.2840 758422.0709 11.5408 11.5579 PRESSURE: 4474200 22.4797 -224.398 33.3658 -224.397 -318.561 169.488 33.3656 169.49 232.99 GPRESSURE: 4474200 -12.1324 -267.825 119.98 -194.698 -111.108 70.9726 171.33 109.726 154.651 PRESSAVG: 4474200 17.5563 -40.8606 -50.8188 -40.8606 -17.5552 -12.0746 -50.8188 -12.0746 -11.8474 GPRESSAVG: 4474200 16.5273 -41.7739 -50.5543 -38.7058 -14.9597 -12.2442 -52.2949 -13.9539 -13.5479 TIMING: 4474200 CPU: 14147.6, 0.00317155/step Wall: 14147.6, 0.00317155/step, 0.463222 hours remaining, 236.476562 MB of memory in use. ENERGY: 4474200 4033.5094 20495.3393 14531.3632 231.5235 -203386.5133 2336.9202 0.0000 0.0000 52000.4146 -109757.4431 298.8471 -161757.8577 -109394.7679 298.9565 -21.0304 10.4704 761254.5442 -3.9488 -3.9934 PRESSURE: 4474400 -266.917 203.71 121.182 203.71 343.563 -52.6874 121.183 -52.687 -150.341 GPRESSURE: 4474400 -175.601 189.908 84.0614 242.282 371.615 -32.6623 150.639 1.10458 -172.105 PRESSAVG: 4474400 -43.4195 -29.9222 10.2026 -29.9221 51.5717 22.8562 10.2026 22.8562 2.38907 GPRESSAVG: 4474400 -43.3987 -31.0634 9.43505 -28.7423 52.1749 24.6216 12.1376 23.5073 2.13538 TIMING: 4474400 CPU: 14148.3, 0.00314178/step Wall: 14148.3, 0.00314178/step, 0.458701 hours remaining, 236.476562 MB of memory in use. ENERGY: 4474400 4021.9699 20741.0821 14536.6060 231.6145 -203877.1414 2714.5842 0.0000 0.0000 51705.2872 -109925.9975 297.1510 -161631.2847 -109566.8644 298.6137 -24.5649 7.9698 760117.5107 3.5138 3.6372 PRESSURE: 4474600 300.666 -48.8905 -227.918 -48.8915 -208.709 284.284 -227.918 284.285 25.9046 GPRESSURE: 4474600 377.922 -162.02 -129.847 -4.57306 -224.944 248.503 -181.336 182.409 33.5496 PRESSAVG: 4474600 -16.259 -20.7598 17.2712 -20.7598 28.3239 6.09992 17.2712 6.09999 18.3553 GPRESSAVG: 4474600 -16.3803 -19.0812 17.8063 -22.793 26.984 4.86659 14.8631 6.16126 19.7735 TIMING: 4474600 CPU: 14148.9, 0.00315369/step Wall: 14148.9, 0.00315369/step, 0.460264 hours remaining, 236.476562 MB of memory in use. ENERGY: 4474600 3943.9950 20489.6986 14549.6648 268.3395 -203904.0837 2739.0179 0.0000 0.0000 51984.5091 -109928.8588 298.7557 -161913.3679 -109552.3148 298.5553 39.2873 62.1761 760439.5567 10.1401 10.1257 PRESSURE: 4474800 42.1604 -250.057 -148.595 -250.056 283.992 130.81 -148.595 130.811 -157.907 GPRESSURE: 4474800 71.5296 -223.828 -147.102 -237.221 262.801 110.293 -115.909 288.631 -102.134 PRESSAVG: 4474800 2.03863 -12.7773 7.67812 -12.7772 4.72748 1.11474 7.67815 1.11473 37.4007 GPRESSAVG: 4474800 3.70511 -11.4153 7.5214 -12.8795 3.78303 1.67648 9.60904 1.126 36.0515 TIMING: 4474800 CPU: 14149.5, 0.00314199/step Wall: 14149.5, 0.00314199/step, 0.458382 hours remaining, 236.542969 MB of memory in use. ENERGY: 4474800 4010.0856 20491.2925 14492.1557 238.3714 -203820.7517 2827.2209 0.0000 0.0000 51787.7631 -109973.8625 297.6250 -161761.6256 -109613.3695 299.0754 56.0818 77.3990 760244.2689 14.7223 14.5132 PRESSURE: 4475000 -64.961 -168.656 -72.8533 -168.655 -86.993 -112.527 -72.8535 -112.526 -90.4863 GPRESSURE: 4475000 -55.1941 -231.571 -139.727 -170.546 -35.7739 35.7627 -18.0457 -37.6638 -73.2953 PRESSAVG: 4475000 6.46484 -14.6583 -77.6049 -14.6584 13.2089 -60.0781 -77.6049 -60.0781 7.0878 GPRESSAVG: 4475000 4.63053 -16.8934 -77.1215 -15.1434 13.8797 -59.312 -77.048 -61.4134 8.06051 TIMING: 4475000 CPU: 14150.2, 0.00313838/step Wall: 14150.2, 0.00313838/step, 0.457681 hours remaining, 236.542969 MB of memory in use. ENERGY: 4475000 3997.5710 20537.1544 14405.4142 248.7500 -203952.8339 2772.4326 0.0000 0.0000 52251.5142 -109739.9975 300.2902 -161991.5117 -109379.2507 298.8780 -80.8134 -54.7544 759948.0613 8.9205 8.8569 PRESSURE: 4475200 164.673 265.202 -80.6091 265.202 -185.963 122.953 -80.6084 122.953 4.23127 GPRESSURE: 4475200 173.155 250.081 -163.565 185.394 -138.204 202.034 -144.531 104.239 48.1513 PRESSAVG: 4475200 -17.4407 -13.1859 -1.72821 -13.186 -0.660144 2.58972 -1.72822 2.58967 18.8216 GPRESSAVG: 4475200 -16.4959 -12.6788 -1.30816 -11.954 -1.02739 2.14967 -2.14608 1.67879 18.4815 TIMING: 4475200 CPU: 14150.8, 0.00312206/step Wall: 14150.8, 0.00312206/step, 0.455128 hours remaining, 236.542969 MB of memory in use. ENERGY: 4475200 3916.6626 20485.8734 14473.4789 256.9423 -203671.2748 2720.2607 0.0000 0.0000 52177.2967 -109640.7602 299.8636 -161818.0569 -109279.3999 299.1326 -5.6862 27.7008 761180.6131 0.2402 0.3194 PRESSURE: 4475400 185.361 170.273 -63.7373 170.273 -163.862 -41.6423 -63.7368 -41.6412 -7.99008 GPRESSURE: 4475400 251.092 202.051 -16.6992 23.8818 -137.908 -27.4413 -5.51389 -96.9851 -17.1392 PRESSAVG: 4475400 60.7916 3.27936 75.6906 3.27943 -37.7755 20.9525 75.6906 20.9526 -1.25672 GPRESSAVG: 4475400 60.7091 3.76598 75.6371 1.55658 -37.7471 20.0631 73.5121 23.221 -1.41915 TIMING: 4475400 CPU: 14151.4, 0.00312839/step Wall: 14151.4, 0.00312839/step, 0.455877 hours remaining, 236.542969 MB of memory in use. ENERGY: 4475400 3970.1919 20575.5573 14539.7436 229.8415 -203608.2014 2566.8994 0.0000 0.0000 52107.0210 -109618.9466 299.4598 -161725.9677 -109252.9562 298.8892 4.5027 32.0146 760542.8655 7.2531 7.1810 PRESSURE: 4475600 0.340225 -4.53649 56.0515 -4.53658 341.55 162.055 56.0506 162.055 29.9787 GPRESSURE: 4475600 49.0325 39.9376 10.4194 -47.3299 309.505 183.448 53.6063 186.858 107.489 PRESSAVG: 4475600 -34.8686 -61.2305 -17.8938 -61.2305 23.8617 -0.155324 -17.8938 -0.155316 17.7417 GPRESSAVG: 4475600 -35.1038 -60.0136 -18.1084 -59.7712 23.1025 -0.251061 -15.2782 -0.163278 18.6945 TIMING: 4475600 CPU: 14152, 0.00315881/step Wall: 14152, 0.00315881/step, 0.460134 hours remaining, 236.542969 MB of memory in use. ENERGY: 4475600 4005.0843 20559.4952 14453.1195 240.9060 -203621.5514 2541.4844 0.0000 0.0000 52046.7873 -109774.6746 299.1136 -161821.4619 -109414.2642 298.6922 123.9563 155.3424 759076.3761 2.2450 2.2311 PRESSURE: 4475800 -144.286 163.731 21.1348 163.73 -260.98 71.3034 21.135 71.3035 -33.0919 GPRESSURE: 4475800 -139.499 144.173 -124.251 201.849 -187.987 81.727 63.0892 -11.9675 -32.7474 PRESSAVG: 4475800 25.2507 -35.863 -42.2141 -35.863 8.72343 5.10613 -42.2141 5.10622 11.6055 GPRESSAVG: 4475800 23.5754 -36.3544 -42.6582 -34.3799 10.4319 3.85569 -45.8876 4.63351 11.4332 TIMING: 4475800 CPU: 14152.7, 0.00315608/step Wall: 14152.7, 0.00315609/step, 0.459561 hours remaining, 236.542969 MB of memory in use. ENERGY: 4475800 3933.0726 20546.3294 14509.5799 241.4131 -203757.9508 2742.5879 0.0000 0.0000 51753.1116 -110031.8564 297.4258 -161784.9680 -109677.3413 297.8947 -146.1192 -120.0776 761728.6128 15.1932 15.1468 PRESSURE: 4476000 467.014 113.143 -62.6922 113.143 77.8301 -87.1434 -62.6914 -87.1436 -229.671 GPRESSURE: 4476000 501.445 53.4631 -3.61779 -21.7179 136.746 -57.9444 -14.3048 -95.6871 -225.935 PRESSAVG: 4476000 36.8648 -1.72306 23.6608 -1.72302 -25.4938 25.0372 23.6608 25.0372 -2.73238 GPRESSAVG: 4476000 40.2383 -1.57001 24.2719 -3.57219 -27.0235 27.3296 25.9337 24.9395 -3.95627 TIMING: 4476000 CPU: 14153.3, 0.00314424/step Wall: 14153.3, 0.00314424/step, 0.457661 hours remaining, 236.542969 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: 4476000 4021.5319 20698.0825 14429.6425 231.4961 -204003.4536 3054.1380 0.0000 0.0000 52017.1380 -109551.4246 298.9432 -161568.5626 -109196.7329 299.3585 105.0577 137.4185 760870.3894 2.8795 3.0862 PRESSURE: 4476200 118.102 66.5488 15.6389 66.5494 -207.063 -72.021 15.6382 -72.0216 -355.365 GPRESSURE: 4476200 133.751 53.0132 42.2674 -1.84603 -113.621 -53.8392 -79.8587 56.9179 -365.324 PRESSAVG: 4476200 -21.0896 -6.30131 -24.3549 -6.30133 18.3123 -6.60187 -24.3549 -6.60186 12.9142 GPRESSAVG: 4476200 -22.6081 -6.63036 -24.6071 -6.54876 20.0716 -7.40356 -24.2182 -6.33097 13.4591 TIMING: 4476200 CPU: 14153.9, 0.00314926/step Wall: 14153.9, 0.00314926/step, 0.458217 hours remaining, 236.542969 MB of memory in use. ENERGY: 4476200 4021.3834 20484.4621 14389.4211 259.0095 -203073.4737 2312.9816 0.0000 0.0000 52036.5015 -109569.7145 299.0545 -161606.2160 -109208.4113 299.2113 -148.1087 -115.0648 761681.4785 3.3790 3.6409 LDB: ============= START OF LOAD BALANCING ============== 14166.5 LDB: ============== END OF LOAD BALANCING =============== 14166.5 LDB: =============== DONE WITH MIGRATION ================ 14166.5 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14166.8 LDB: Largest compute 7078 load 0.035058 is 17.9% of average load 0.195582 LDB: Average compute 0.004396 is 2.2% of average load 0.195582 LDB: TIME 14166.8 LOAD: AVG 0.195582 MAX 0.213753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.262 MB LDB: TIME 14166.8 LOAD: AVG 0.195582 MAX 0.213753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: TIME 14166.8 LOAD: AVG 0.195582 MAX 0.213753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.262 MB LDB: ============== END OF LOAD BALANCING =============== 14166.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14166.8 PRESSURE: 4476400 -18.5615 114.441 69.1577 114.441 74.1342 185.594 69.1564 185.595 -261.257 GPRESSURE: 4476400 -38.4609 63.1896 -15.0408 80.8104 99.4044 149.616 141.639 87.1367 -183.061 PRESSAVG: 4476400 8.70637 -24.9975 26.2988 -24.9975 6.53613 -74.2912 26.2988 -74.2912 -7.74665 GPRESSAVG: 4476400 9.09387 -23.2918 25.7954 -24.5293 5.38823 -74.4186 24.8239 -74.2194 -7.11103 TIMING: 4476400 CPU: 14154.6, 0.00321032/step Wall: 14154.6, 0.00321032/step, 0.466923 hours remaining, 236.933594 MB of memory in use. ENERGY: 4476400 3982.6324 20532.8102 14464.8627 236.2813 -203367.2238 2642.6551 0.0000 0.0000 52005.2808 -109502.7012 298.8751 -161507.9820 -109140.0575 299.1655 -68.5614 -40.7059 762036.1344 2.4986 2.4570 PRESSURE: 4476600 310.073 -151.707 155.301 -151.707 14.7468 163.316 155.302 163.316 515.569 GPRESSURE: 4476600 334.618 -93.6888 164.25 -36.2098 43.0979 129.18 176.995 214.475 526.352 PRESSAVG: 4476600 -26.7313 -36.0296 74.1988 -36.0297 -11.047 -23.6946 74.1988 -23.6946 15.354 GPRESSAVG: 4476600 -26.9179 -36.1994 74.929 -37.0928 -11.1588 -22.1981 74.3953 -25.3443 15.1824 TIMING: 4476600 CPU: 14155.2, 0.00316405/step Wall: 14155.2, 0.00316405/step, 0.460018 hours remaining, 236.933594 MB of memory in use. ENERGY: 4476600 3983.2865 20551.7016 14494.3548 239.2162 -203624.0935 2862.7438 0.0000 0.0000 51933.8352 -109558.9553 298.4645 -161492.7905 -109214.3725 299.0014 280.1295 301.3561 762005.9459 -7.4748 -7.6314 PRESSURE: 4476800 -202.05 -66.5235 -222.359 -66.5233 -106.277 -236.04 -222.36 -236.039 23.0101 GPRESSURE: 4476800 -184.241 -3.91255 -216.839 7.16464 -82.4331 -164.409 -131.288 -256.151 66.3561 PRESSAVG: 4476800 -30.7407 -84.3279 16.9165 -84.3278 17.1621 17.4154 16.9166 17.4154 -9.74942 GPRESSAVG: 4476800 -31.1526 -84.2603 15.146 -83.3163 17.53 16.8053 19.0366 18.4192 -9.83094 TIMING: 4476800 CPU: 14155.8, 0.0031528/step Wall: 14155.8, 0.0031528/step, 0.458207 hours remaining, 236.933594 MB of memory in use. ENERGY: 4476800 3994.4538 20549.0005 14556.2182 235.6075 -203386.3559 2378.5072 0.0000 0.0000 52032.0549 -109640.5139 299.0289 -161672.5688 -109273.5051 298.9123 -95.1054 -66.7728 761773.3323 -7.7760 -7.8178 PRESSURE: 4477000 43.9682 -168.587 16.9191 -168.587 -581.479 176.036 16.9195 176.036 -263.485 GPRESSURE: 4477000 -34.4195 -222.472 135.962 -47.7386 -441.872 142.649 -72.9872 159.402 -236.827 PRESSAVG: 4477000 38.8574 12.5791 -7.67502 12.579 17.9783 -48.8332 -7.67495 -48.8331 12.3065 GPRESSAVG: 4477000 38.9805 10.8302 -5.76133 13.5459 18.4868 -49.3874 -9.4372 -47.3208 11.8068 TIMING: 4477000 CPU: 14156.5, 0.00316531/step Wall: 14156.5, 0.00316531/step, 0.459849 hours remaining, 236.933594 MB of memory in use. ENERGY: 4477000 4013.5800 20613.1456 14570.8526 247.6984 -203558.2145 2486.5547 0.0000 0.0000 52019.4447 -109606.9385 298.9565 -161626.3832 -109251.0926 299.2962 -266.9986 -237.7060 760944.2894 23.0474 23.0914 PRESSURE: 4477200 -17.4629 -100.16 19.2059 -100.161 -272.091 -77.435 19.2069 -77.4348 -52.0506 GPRESSURE: 4477200 -23.537 -54.5537 -46.405 -80.613 -245.615 -127.69 44.5184 -167.522 18.1813 PRESSAVG: 4477200 52.4745 -32.4679 -10.5625 -32.4678 -69.1389 -25.4426 -10.5627 -25.4426 -23.2393 GPRESSAVG: 4477200 52.8025 -29.728 -11.6917 -33.1713 -68.4806 -24.5446 -9.73713 -26.9796 -23.2174 TIMING: 4477200 CPU: 14157.1, 0.00316693/step Wall: 14157.1, 0.00316693/step, 0.459908 hours remaining, 236.933594 MB of memory in use. ENERGY: 4477200 4000.4464 20564.1967 14522.2198 252.9403 -203380.9410 2527.5277 0.0000 0.0000 51900.4896 -109613.1205 298.2728 -161513.6102 -109253.1922 299.4339 -113.8680 -83.6569 759933.3125 -13.3012 -12.9652 PRESSURE: 4477400 -435.611 -104.286 -428.483 -104.286 -11.2228 135.564 -428.483 135.564 229.323 GPRESSURE: 4477400 -282.376 -160.324 -415.378 -92.171 -28.1665 71.3201 -326.131 214.184 184.722 PRESSAVG: 4477400 11.154 -31.9659 17.3153 -31.9658 -34.3489 -37.0104 17.3154 -37.0104 -12.6297 GPRESSAVG: 4477400 11.1633 -33.6526 18.8771 -33.7381 -35.4949 -38.7263 14.7991 -34.6593 -12.4688 TIMING: 4477400 CPU: 14157.7, 0.00314381/step Wall: 14157.7, 0.00314381/step, 0.456376 hours remaining, 236.933594 MB of memory in use. ENERGY: 4477400 4057.5041 20535.9216 14462.9569 239.8862 -203298.5773 2397.1770 0.0000 0.0000 52037.2179 -109567.9138 299.0586 -161605.1316 -109205.3562 298.9943 -72.5035 -41.9401 762178.4190 -11.9416 -12.2668 PRESSURE: 4477600 119.684 69.4158 240.249 69.4177 4.83073 74.3905 240.248 74.3906 -10.6144 GPRESSURE: 4477600 183.424 151.12 221.073 -49.5282 36.5438 85.2535 142.795 -36.4169 -2.63229 PRESSAVG: 4477600 14.265 -1.59683 45.0269 -1.5969 -48.8813 -35.7627 45.0269 -35.7626 16.7787 GPRESSAVG: 4477600 13.8113 -2.1693 43.4812 2.51347 -49.5431 -36.2234 48.1206 -37.3724 18.2819 TIMING: 4477600 CPU: 14158.4, 0.00316126/step Wall: 14158.4, 0.00316126/step, 0.458735 hours remaining, 236.933594 MB of memory in use. ENERGY: 4477600 3980.5128 20447.7188 14525.6590 248.8727 -203443.5600 2739.3524 0.0000 0.0000 52023.7247 -109477.7196 298.9811 -161501.4443 -109106.8013 299.2331 37.9668 72.4452 761957.7810 -5.9459 -5.8166 PRESSURE: 4477800 71.0697 84.8744 -151.166 84.8748 -139.831 56.4424 -151.167 56.4417 324.162 GPRESSURE: 4477800 140.534 -0.272091 -183.349 88.6948 15.5037 62.1917 -156.517 -30.6919 194.918 PRESSAVG: 4477800 14.9088 -42.9606 -9.35711 -42.9606 -1.03619 -0.357814 -9.35715 -0.357864 18.2618 GPRESSAVG: 4477800 14.8642 -41.7564 -9.05938 -44.9362 0.611387 1.18662 -10.7954 1.92188 16.7287 TIMING: 4477800 CPU: 14159, 0.00319255/step Wall: 14159, 0.00319255/step, 0.463097 hours remaining, 236.933594 MB of memory in use. ENERGY: 4477800 3997.1612 20609.2755 14456.3060 244.4117 -203429.5532 2549.4562 0.0000 0.0000 52285.8079 -109287.1347 300.4873 -161572.9426 -108925.4478 299.3475 85.1338 116.9850 760130.1839 10.7115 10.7348 PRESSURE: 4478000 116.09 -28.2992 71.3143 -28.299 58.5472 9.45288 71.3145 9.45232 293.009 GPRESSURE: 4478000 263.945 78.7193 49.167 -0.0718032 28.7617 -42.1906 16.8532 -55.3029 262.761 PRESSAVG: 4478000 9.09294 -41.133 22.0056 -41.1329 -37.8966 -33.379 22.0056 -33.379 14.868 GPRESSAVG: 4478000 8.57519 -40.3884 23.0253 -40.0772 -38.012 -33.8165 20.4585 -35.7261 15.5123 TIMING: 4478000 CPU: 14159.6, 0.00317376/step Wall: 14159.6, 0.00317376/step, 0.460195 hours remaining, 236.933594 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: 4478000 3993.0546 20481.1620 14500.6462 253.3333 -203295.4500 2485.9146 0.0000 0.0000 52411.9815 -109169.3577 301.2124 -161581.3392 -108799.0337 299.8140 155.8821 185.1557 760219.4699 -4.6452 -4.6415 PRESSURE: 4478200 -76.9456 20.8494 3.62954 20.8485 -480.612 -98.5435 3.62842 -98.5441 -216.352 GPRESSURE: 4478200 -88.3668 -42.7718 -0.0551306 75.5102 -348.577 -91.9553 -16.7729 -105.942 -252.993 PRESSAVG: 4478200 31.2992 -38.0353 14.9961 -38.0353 3.1287 -74.5843 14.996 -74.5843 35.4635 GPRESSAVG: 4478200 32.762 -38.0445 13.2386 -39.1478 2.89246 -73.9957 19.4245 -72.6112 34.0247 TIMING: 4478200 CPU: 14160.3, 0.00315587/step Wall: 14160.3, 0.00315587/step, 0.457426 hours remaining, 236.933594 MB of memory in use. ENERGY: 4478200 3966.8704 20486.5867 14515.9826 259.1552 -202965.9921 2225.3879 0.0000 0.0000 52153.2883 -109358.7211 299.7257 -161512.0094 -108997.1756 299.8126 -257.9698 -229.9792 762198.5944 23.2971 23.2264 PRESSURE: 4478400 -155.94 -57.5266 -97.8319 -57.5268 72.8306 44.116 -97.8315 44.1153 -120.022 GPRESSURE: 4478400 -192.987 -62.8972 -101.149 20.2656 134.092 119.702 -142.664 -32.398 -60.9862 PRESSAVG: 4478400 -40.9331 15.927 13.0895 15.9269 51.1395 -51.9377 13.0895 -51.9377 9.28557 GPRESSAVG: 4478400 -42.783 13.8137 13.1459 17.8932 51.936 -52.5526 10.2156 -51.8422 10.4302 TIMING: 4478400 CPU: 14160.9, 0.00315022/step Wall: 14160.9, 0.00315022/step, 0.456432 hours remaining, 236.933594 MB of memory in use. ENERGY: 4478400 4000.3975 20626.9545 14482.3025 248.8519 -203312.6250 2677.4607 0.0000 0.0000 51972.1833 -109304.4746 298.6849 -161276.6579 -108941.3651 299.6357 -67.7104 -39.9605 762052.7999 6.4973 6.5277 PRESSURE: 4478600 2.77052 -116.799 -118.564 -116.8 -64.8297 -65.3682 -118.564 -65.3684 -200.361 GPRESSURE: 4478600 6.51815 -210.54 -121.873 -131.233 -32.0798 -74.5967 -86.0008 -14.5245 -163.152 PRESSAVG: 4478600 -55.4724 -42.9993 -18.208 -42.9993 36.5819 -11.7009 -18.208 -11.701 -3.08855 GPRESSAVG: 4478600 -54.296 -40.6095 -17.7862 -44.0513 35.101 -9.66057 -16.4199 -11.8893 -2.86634 TIMING: 4478600 CPU: 14161.5, 0.00313988/step Wall: 14161.5, 0.00313988/step, 0.45476 hours remaining, 236.933594 MB of memory in use. ENERGY: 4478600 3939.2703 20489.6020 14387.1512 227.3734 -203303.3268 2639.4016 0.0000 0.0000 52192.3578 -109428.1705 299.9502 -161620.5283 -109060.7000 299.9383 -87.4735 -62.9045 762508.2533 -7.3264 -7.3538 PRESSURE: 4478800 11.3347 -126.341 92.9013 -126.341 300.967 -31.6401 92.901 -31.6399 134.245 GPRESSURE: 4478800 47.9072 -37.5851 116.899 -103.881 237.284 -3.36435 151.471 -81.4843 253.697 PRESSAVG: 4478800 20.9729 -4.37517 54.705 -4.37513 35.9784 -25.2628 54.705 -25.2628 12.6755 GPRESSAVG: 4478800 19.9486 -4.92415 56.138 -5.76259 36.6807 -28.9993 53.8451 -27.1702 12.38 TIMING: 4478800 CPU: 14162.2, 0.00316415/step Wall: 14162.2, 0.00316415/step, 0.458099 hours remaining, 236.933594 MB of memory in use. ENERGY: 4478800 3976.1755 20378.4635 14546.7943 246.8571 -203696.8287 2814.2444 0.0000 0.0000 52410.0314 -109324.2624 301.2012 -161734.2938 -108959.4216 299.2472 148.8490 179.6293 762024.8639 23.2089 23.0031 PRESSURE: 4479000 -456.63 -120.328 -223.052 -120.328 -302.739 17.8076 -223.052 17.8087 -423.768 GPRESSURE: 4479000 -411.673 -75.5906 -176.617 -191.663 -281.751 -74.0106 -202.901 231.689 -410.063 PRESSAVG: 4479000 -6.4733 -1.19425 -3.43781 -1.19426 24.1629 -8.81677 -3.43775 -8.81673 9.67314 GPRESSAVG: 4479000 -5.73984 -1.3272 -4.2872 -1.45854 23.1213 -6.07712 -1.92257 -8.024 9.71926 TIMING: 4479000 CPU: 14162.8, 0.00315631/step Wall: 14162.8, 0.00315631/step, 0.456788 hours remaining, 236.933594 MB of memory in use. ENERGY: 4479000 4015.6783 20533.7646 14504.3706 254.7366 -203131.6899 2360.7757 0.0000 0.0000 52025.4560 -109436.9080 298.9910 -161462.3640 -109079.1250 299.7784 -394.3788 -367.8291 762385.4726 9.1209 9.0336 PRESSURE: 4479200 -99.44 181.22 63.4866 181.22 -198.692 235.757 63.4873 235.756 23.2091 GPRESSURE: 4479200 -88.5656 172.638 102.433 190.755 -135.567 212.67 94.7342 166.968 40.3312 PRESSAVG: 4479200 16.7181 -5.99288 -29.1168 -5.99297 19.8078 15.625 -29.1168 15.6249 -8.58086 GPRESSAVG: 4479200 16.653 -5.36168 -28.1886 -4.90099 20.1116 15.7054 -30.4847 16.682 -8.04022 TIMING: 4479200 CPU: 14163.4, 0.00316493/step Wall: 14163.4, 0.00316493/step, 0.45786 hours remaining, 236.933594 MB of memory in use. ENERGY: 4479200 3955.0566 20458.7109 14526.5990 273.5448 -203630.7446 2542.1937 0.0000 0.0000 52009.2381 -109865.4016 298.8978 -161874.6397 -109507.0696 299.1466 -91.6410 -61.2672 761155.4435 9.3150 9.5748 PRESSURE: 4479400 -78.9789 69.4592 -126.073 69.4603 40.2043 66.309 -126.073 66.3083 -170.459 GPRESSURE: 4479400 -53.8298 28.1838 -105.575 38.4032 4.6313 31.1085 -95.2574 22.7838 -80.6027 PRESSAVG: 4479400 -25.9746 6.2258 -1.93033 6.22577 42.3569 25.2103 -1.93039 25.2103 1.69392 GPRESSAVG: 4479400 -26.0334 5.4134 -3.35273 6.07814 43.6163 26.1417 -1.75628 23.844 0.511183 TIMING: 4479400 CPU: 14164.1, 0.0031689/step Wall: 14164.1, 0.0031689/step, 0.458258 hours remaining, 236.933594 MB of memory in use. ENERGY: 4479400 3993.7104 20650.9089 14526.4021 254.3306 -203482.4296 2464.1072 0.0000 0.0000 51847.0638 -109745.9065 297.9658 -161592.9703 -109392.9645 298.7550 -69.7447 -43.2670 759431.8369 6.0254 6.0314 PRESSURE: 4479600 -181.769 -39.8554 -94.2285 -39.8555 100.503 -158.478 -94.2284 -158.479 -232.718 GPRESSURE: 4479600 -190.554 26.3233 -53.8761 -99.7377 187.828 -247.802 -143.081 -253.687 -217.312 PRESSAVG: 4479600 3.81146 -17.5433 9.99602 -17.5433 36.7219 -4.6506 9.99598 -4.6506 6.25651 GPRESSAVG: 4479600 3.47523 -17.0549 11.1178 -17.3457 35.8511 -6.79336 8.62659 -2.45681 7.23203 TIMING: 4479600 CPU: 14164.7, 0.00315241/step Wall: 14164.7, 0.00315241/step, 0.455698 hours remaining, 236.933594 MB of memory in use. ENERGY: 4479600 3982.6393 20478.8641 14485.5923 257.1904 -203285.5310 2328.1552 0.0000 0.0000 52099.5263 -109653.5633 299.4167 -161753.0895 -109286.5114 299.1360 -104.6612 -73.3462 760853.8167 15.5966 15.5195 PRESSURE: 4479800 -339.752 -93.4637 -100.633 -93.4635 -212.552 -212.251 -100.635 -212.251 -258.25 GPRESSURE: 4479800 -337.626 -71.7016 -66.5406 -33.8752 -148.205 -139.072 -14.0591 -75.856 -217.854 PRESSAVG: 4479800 -37.636 -19.8211 20.0939 -19.8211 37.7133 -59.8546 20.0939 -59.8546 9.36172 GPRESSAVG: 4479800 -36.8176 -22.0105 18.862 -20.0439 35.9731 -58.992 22.8369 -60.5738 10.636 TIMING: 4479800 CPU: 14165.3, 0.00315069/step Wall: 14165.3, 0.00315069/step, 0.455274 hours remaining, 236.933594 MB of memory in use. ENERGY: 4479800 3991.0274 20580.6689 14600.1706 253.7156 -203307.5595 2378.3087 0.0000 0.0000 51898.0516 -109605.6168 298.2588 -161503.6684 -109239.9598 298.6731 -270.1844 -234.5620 761844.0670 3.1463 3.2638 PRESSURE: 4480000 -128.962 33.1077 -144.761 33.1077 -296.118 -198.097 -144.761 -198.096 544.352 GPRESSURE: 4480000 -81.689 123.599 -224.253 42.6296 -241.827 -169.839 -108.743 -241.173 538.106 PRESSAVG: 4480000 4.74625 29.4926 45.1416 29.4927 -38.7419 -43.2135 45.1416 -43.2135 5.91792 GPRESSAVG: 4480000 4.57368 31.002 46.473 30.262 -37.3583 -41.2773 44.2683 -44.7431 4.40457 TIMING: 4480000 CPU: 14166, 0.00315271/step Wall: 14166, 0.00315271/step, 0.455392 hours remaining, 236.933594 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: 4480000 3933.5734 20592.9312 14542.0583 238.7718 -203257.4221 2639.5514 0.0000 0.0000 51759.6521 -109550.8839 297.4634 -161310.5359 -109189.8288 298.8983 39.7576 71.5300 761006.0685 -9.3592 -9.4600 PRESSURE: 4480200 -28.4927 58.2985 -31.1851 58.2989 289.043 -66.3129 -31.1851 -66.3134 77.5018 GPRESSURE: 4480200 123.127 -66.5359 -56.5239 125.296 278.062 -86.1834 -80.7288 -88.0527 28.9963 PRESSAVG: 4480200 -12.173 5.57421 20.7358 5.57411 -10.755 31.7575 20.7359 31.7575 26.1111 GPRESSAVG: 4480200 -13.1744 5.0621 19.7488 5.35102 -10.3635 28.1426 20.955 33.856 27.0929 TIMING: 4480200 CPU: 14166.6, 0.00314024/step Wall: 14166.6, 0.00314024/step, 0.453415 hours remaining, 236.933594 MB of memory in use. ENERGY: 4480200 3991.0206 20394.7744 14475.7243 258.1958 -203281.9424 2518.4643 0.0000 0.0000 52189.3218 -109454.4413 299.9327 -161643.7631 -109087.6924 299.2337 112.6840 143.3951 761162.1662 1.0610 1.1850 LDB: ============= START OF LOAD BALANCING ============== 14179.1 LDB: ============== END OF LOAD BALANCING =============== 14179.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14179.1 LDB: ============= START OF LOAD BALANCING ============== 14179.4 LDB: Largest compute 7078 load 0.036482 is 18.7% of average load 0.195527 LDB: Average compute 0.004401 is 2.3% of average load 0.195527 LDB: TIME 14179.4 LOAD: AVG 0.195527 MAX 0.212348 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.531 MB LDB: TIME 14179.4 LOAD: AVG 0.195527 MAX 0.212348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.734 MB LDB: TIME 14179.4 LOAD: AVG 0.195527 MAX 0.212348 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.734 MB LDB: ============== END OF LOAD BALANCING =============== 14179.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14179.4 PRESSURE: 4480400 -121.587 -168.418 75.2036 -168.418 -137.545 -27.1086 75.2038 -27.1089 -399.454 GPRESSURE: 4480400 -85.2457 -165.863 65.9491 -107.851 -93.5509 36.8259 -11.9088 -57.2427 -391.75 PRESSAVG: 4480400 -5.64546 12.6682 42.4002 12.6682 -27.836 -2.73537 42.4002 -2.73535 -2.06641 GPRESSAVG: 4480400 -4.63888 15.1393 42.1759 12.5761 -28.5211 -0.621462 41.2157 -5.02933 -2.62201 TIMING: 4480400 CPU: 14167.2, 0.00321593/step Wall: 14167.2, 0.00321593/step, 0.464165 hours remaining, 236.246094 MB of memory in use. ENERGY: 4480400 3968.7643 20393.0139 14551.7398 243.3472 -203039.8195 2477.5189 0.0000 0.0000 51889.3662 -109516.0693 298.2089 -161405.4355 -109151.1036 299.2113 -219.5287 -190.1822 762107.2457 -11.8493 -11.9273 PRESSURE: 4480600 24.2009 52.8333 32.0858 52.8339 -37.0507 -66.7051 32.0868 -66.7042 -103.352 GPRESSURE: 4480600 96.0715 -26.2946 26.7129 9.1166 -28.8333 -145.139 -1.58821 131.885 -77.172 PRESSAVG: 4480600 9.67793 -28.6458 -8.62746 -28.6458 -4.14253 -8.70048 -8.62749 -8.70052 -1.7754 GPRESSAVG: 4480600 7.5896 -31.863 -8.37682 -28.817 -2.47949 -7.98431 -8.04374 -6.17584 -1.5085 TIMING: 4480600 CPU: 14167.9, 0.00314515/step Wall: 14167.9, 0.00314515/step, 0.453775 hours remaining, 236.246094 MB of memory in use. ENERGY: 4480600 3922.7292 20387.6442 14545.8407 230.9622 -203151.0011 2560.5355 0.0000 0.0000 52008.4702 -109494.8193 298.8934 -161503.2894 -109136.1950 299.2191 -38.7339 -3.3113 762728.2062 1.2533 1.2005 PRESSURE: 4480800 -161.544 12.7691 45.0814 12.7692 -503.294 -303.904 45.0817 -303.903 -280.174 GPRESSURE: 4480800 -58.5873 -60.2627 32.3711 107.18 -536.95 -296.926 15.9056 -219.557 -246.339 PRESSAVG: 4480800 2.63675 -23.3998 -55.543 -23.3998 -31.3919 -51.6229 -55.543 -51.623 -22.5101 GPRESSAVG: 4480800 3.47991 -22.5123 -55.2126 -22.8817 -32.6021 -53.0003 -56.1588 -54.0395 -22.3751 TIMING: 4480800 CPU: 14168.5, 0.00315728/step Wall: 14168.5, 0.00315728/step, 0.45535 hours remaining, 236.246094 MB of memory in use. ENERGY: 4480800 3923.1428 20510.3319 14414.2482 259.5482 -203050.7394 2370.8771 0.0000 0.0000 51922.4888 -109650.1024 298.3993 -161572.5912 -109300.1402 299.0890 -315.0038 -280.6257 761909.4686 -17.0884 -17.1658 PRESSURE: 4481000 -245.634 -77.5382 34.0619 -77.5379 -41.6954 -127.745 34.0618 -127.746 48.4342 GPRESSURE: 4481000 -266.85 -101.622 71.3781 -69.5063 28.22 -66.5919 36.2291 -202.267 58.3223 PRESSAVG: 4481000 -14.9796 26.5333 0.149629 26.5334 13.6202 -24.2829 0.149524 -24.2829 -24.4643 GPRESSAVG: 4481000 -15.4291 27.1358 1.38679 24.9685 12.966 -23.2801 1.31415 -22.3915 -23.6615 TIMING: 4481000 CPU: 14169.1, 0.00313247/step Wall: 14169.1, 0.00313247/step, 0.451597 hours remaining, 236.246094 MB of memory in use. ENERGY: 4481000 3943.3573 20389.1673 14473.7425 229.8213 -203158.9269 2606.9241 0.0000 0.0000 51928.9413 -109586.9731 298.4363 -161515.9144 -109218.7594 298.8428 -79.6317 -60.1025 763294.0662 -8.6079 -8.7082 PRESSURE: 4481200 79.9036 -52.1506 3.47361 -52.1511 -305.293 105.237 3.47367 105.237 -468.011 GPRESSURE: 4481200 40.7877 -79.8236 27.3121 61.4269 -254.336 55.2331 54.4854 67.1041 -398.758 PRESSAVG: 4481200 -6.38366 13.9769 41.8466 13.9769 45.7106 -9.52528 41.8466 -9.52532 3.867 GPRESSAVG: 4481200 -5.01996 14.8096 39.7345 15.3912 45.9141 -9.54044 38.4391 -11.3524 2.3362 TIMING: 4481200 CPU: 14169.7, 0.00315408/step Wall: 14169.7, 0.00315408/step, 0.454538 hours remaining, 236.246094 MB of memory in use. ENERGY: 4481200 3983.5414 20250.6046 14465.3860 257.0961 -202857.7502 2251.2579 0.0000 0.0000 52149.3877 -109500.4765 299.7032 -161649.8642 -109128.5308 298.9301 -231.1337 -204.1020 762226.9475 14.3980 14.4101 PRESSURE: 4481400 -325.01 -89.6992 -226.976 -89.6986 63.2423 -60.185 -226.976 -60.1842 -290.875 GPRESSURE: 4481400 -186.463 -12.3937 -217.082 -94.7913 60.8739 -24.9444 -166.006 -59.4091 -340.105 PRESSAVG: 4481400 -33.6694 -28.4334 0.662431 -28.4333 14.839 -7.64752 0.662423 -7.64742 3.82091 GPRESSAVG: 4481400 -31.9367 -29.0273 1.84135 -28.4022 13.3604 -9.10994 1.60429 -7.08166 3.8779 TIMING: 4481400 CPU: 14170.4, 0.0031306/step Wall: 14170.4, 0.0031306/step, 0.45098 hours remaining, 236.246094 MB of memory in use. ENERGY: 4481400 4080.7682 20526.3842 14460.5731 236.3720 -203234.7367 2585.1675 0.0000 0.0000 51817.2066 -109528.2651 297.7942 -161345.4716 -109175.9306 298.9571 -184.2144 -155.2313 762081.8191 -5.0032 -4.8995 PRESSURE: 4481600 91.0065 -8.23624 -269.346 -8.23586 -144.018 -117.249 -269.346 -117.248 -337.66 GPRESSURE: 4481600 126.361 4.30584 -176.904 0.7579 -105.434 -95.9375 -237.654 -199.35 -318.325 PRESSAVG: 4481600 7.42185 5.71425 23.5964 5.71429 0.170192 -10.5361 23.5964 -10.5361 -5.13504 GPRESSAVG: 4481600 5.54215 5.4016 22.2592 6.51022 2.25828 -9.72012 25.2868 -9.60333 -5.36869 TIMING: 4481600 CPU: 14171, 0.00314778/step Wall: 14171, 0.00314777/step, 0.45328 hours remaining, 236.246094 MB of memory in use. ENERGY: 4481600 4005.2418 20384.3399 14532.8077 249.2416 -203827.7354 2870.5008 0.0000 0.0000 52135.8694 -109649.7341 299.6256 -161785.6036 -109283.7587 298.7664 -130.2238 -99.1330 761038.9238 0.8190 0.8106 PRESSURE: 4481800 -156.594 -119.206 -116.974 -119.206 -159.119 -103.169 -116.975 -103.167 107.292 GPRESSURE: 4481800 -5.89645 -134.381 -127.291 -66.9974 -203.353 -93.2056 -21.8449 25.9261 72.3003 PRESSAVG: 4481800 -73.1141 -41.8761 36.1659 -41.8761 -15.9796 -34.2457 36.1658 -34.2457 -0.62799 GPRESSAVG: 4481800 -72.951 -44.2043 36.3231 -42.0842 -16.6768 -33.4376 37.2295 -36.0676 0.45701 TIMING: 4481800 CPU: 14171.6, 0.00315913/step Wall: 14171.6, 0.00315913/step, 0.45474 hours remaining, 236.246094 MB of memory in use. ENERGY: 4481800 3991.6221 20518.3549 14538.2721 242.7427 -203800.5588 2658.3195 0.0000 0.0000 52355.1150 -109496.1324 300.8856 -161851.2474 -109131.7340 299.0534 -69.4735 -45.6497 759942.0441 -29.9072 -29.7236 PRESSURE: 4482000 471.691 257.604 139.013 257.603 222.551 -199.212 139.013 -199.212 -22.5928 GPRESSURE: 4482000 384.595 158.417 94.6503 208.915 300.716 -171.283 17.7197 -225.055 75.4733 PRESSAVG: 4482000 16.6856 -25.7221 2.64079 -25.7221 -7.65657 -51.0284 2.6408 -51.0284 -10.7971 GPRESSAVG: 4482000 17.1212 -24.7139 3.37606 -25.739 -7.05631 -51.7777 0.644247 -50.2562 -12.0145 TIMING: 4482000 CPU: 14172.3, 0.00314312/step Wall: 14172.3, 0.00314312/step, 0.45226 hours remaining, 236.246094 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: 4482000 3968.5143 20489.6135 14481.0957 241.3488 -203671.1176 2907.7597 0.0000 0.0000 52056.8745 -109525.9112 299.1716 -161582.7857 -109147.4644 299.5147 223.8832 253.5947 759134.8899 -0.5893 -0.6499 PRESSURE: 4482200 -16.83 -10.9638 190.684 -10.9648 -7.26232 146.481 190.685 146.481 238.289 GPRESSURE: 4482200 -13.1829 49.9995 199.965 -57.2337 69.062 107.422 234.974 154.739 252.481 PRESSAVG: 4482200 20.1156 -29.7657 4.86323 -29.7657 -36.083 -2.54172 4.86329 -2.54163 -13.8338 GPRESSAVG: 4482200 19.3901 -28.1873 4.59906 -29.5739 -36.5256 -4.03246 5.75732 -1.65471 -13.2909 TIMING: 4482200 CPU: 14172.9, 0.00314282/step Wall: 14172.9, 0.00314282/step, 0.452043 hours remaining, 236.246094 MB of memory in use. ENERGY: 4482200 3959.1300 20379.5387 14523.3155 230.7781 -203616.3094 2844.7056 0.0000 0.0000 52146.1604 -109532.6811 299.6847 -161678.8415 -109172.8412 299.4052 71.3990 102.7868 760816.7436 -9.9337 -10.1422 PRESSURE: 4482400 171.79 105.569 231.444 105.568 -192.143 269.985 231.444 269.986 -118.845 GPRESSURE: 4482400 149.208 7.97865 157.159 272.062 -67.1061 202.742 158.109 177.689 -121.761 PRESSAVG: 4482400 19.6273 -35.5264 0.0579401 -35.5264 32.5643 -36.4238 0.0579594 -36.4237 -8.53763 GPRESSAVG: 4482400 19.1162 -36.5097 -0.231249 -35.1998 32.0939 -34.5194 -1.69049 -36.5095 -8.06641 TIMING: 4482400 CPU: 14173.5, 0.00315962/step Wall: 14173.5, 0.00315962/step, 0.454283 hours remaining, 236.246094 MB of memory in use. ENERGY: 4482400 3941.4186 20355.5846 14489.3835 242.5756 -203485.4017 2611.5471 0.0000 0.0000 52158.1796 -109686.7127 299.7538 -161844.8923 -109330.0869 299.0412 -46.3991 -13.2197 761106.9261 14.5513 14.3812 PRESSURE: 4482600 -66.0377 -236.924 3.95071 -236.924 257.133 -78.4364 3.952 -78.4371 15.1647 GPRESSURE: 4482600 -85.5796 -223.503 3.7515 -216.303 347.023 -62.7377 -33.7413 24.5432 22.2034 PRESSAVG: 4482600 -31.7126 -22.4428 7.99596 -22.4428 -6.43168 -38.8471 7.99591 -38.8471 -24.7203 GPRESSAVG: 4482600 -31.8224 -21.6376 6.28165 -23.0829 -6.69864 -39.2555 9.63711 -39.128 -24.0594 TIMING: 4482600 CPU: 14174.1, 0.00314473/step Wall: 14174.1, 0.00314473/step, 0.451968 hours remaining, 236.246094 MB of memory in use. ENERGY: 4482600 3884.9559 20667.9117 14476.7684 261.5183 -202990.9545 2402.8375 0.0000 0.0000 51749.7925 -109547.1701 297.4068 -161296.9626 -109187.9296 298.9594 68.7534 94.5488 762018.9306 -20.9549 -20.8601 PRESSURE: 4482800 -89.4192 174.699 2.29825 174.698 440.356 -23.2758 2.29784 -23.2755 -286.655 GPRESSURE: 4482800 -45.2809 166.915 -42.4426 70.1845 460.222 -50.4126 -91.264 12.2961 -264.9 PRESSAVG: 4482800 44.1282 -22.487 38.4759 -22.487 47.1935 -1.96492 38.4758 -1.96492 3.5139 GPRESSAVG: 4482800 44.7431 -22.1817 36.6225 -23.9013 46.9645 -3.58003 39.9937 -0.868135 3.07792 TIMING: 4482800 CPU: 14174.8, 0.00315243/step Wall: 14174.8, 0.00315243/step, 0.452898 hours remaining, 236.246094 MB of memory in use. ENERGY: 4482800 4017.1907 20536.4606 14534.6421 264.8268 -203691.6558 2757.0833 0.0000 0.0000 52081.6719 -109499.7804 299.3141 -161581.4523 -109146.0625 299.1866 21.4271 50.0136 760847.0587 31.6119 31.5952 PRESSURE: 4483000 -121.602 -95.0389 -34.0384 -95.0404 353.235 -71.948 -34.0384 -71.9467 -382.215 GPRESSURE: 4483000 -67.5341 -146.734 -50.2142 -25.1715 398.628 -86.9083 -51.7109 -23.0201 -395.299 PRESSAVG: 4483000 1.51434 -55.8355 3.64237 -55.8354 -3.90353 19.6205 3.6424 19.6205 12.6751 GPRESSAVG: 4483000 0.780022 -56.1929 6.01793 -54.7447 -3.78483 20.4983 1.23672 17.6671 13.2702 TIMING: 4483000 CPU: 14175.4, 0.00313466/step Wall: 14175.4, 0.00313466/step, 0.450172 hours remaining, 236.246094 MB of memory in use. ENERGY: 4483000 4006.7872 20299.9844 14554.2758 254.3630 -203460.1308 2857.5324 0.0000 0.0000 51909.6879 -109577.5000 298.3257 -161487.1880 -109211.9763 299.1347 -50.1941 -21.4017 762801.7760 3.4286 3.4218 PRESSURE: 4483200 -258.612 -318.871 149.021 -318.871 -3.37401 53.1947 149.022 53.195 -215.01 GPRESSURE: 4483200 -218.302 -358.028 212.653 -393.872 105.07 141.468 -27.1638 13.3369 -251.013 PRESSAVG: 4483200 -56.2156 -39.2648 2.6258 -39.2648 76.0297 10.8384 2.62578 10.8384 0.915242 GPRESSAVG: 4483200 -55.2169 -38.7165 3.82477 -39.3141 75.5323 13.7619 2.68823 12.2031 0.60256 TIMING: 4483200 CPU: 14176, 0.00315211/step Wall: 14176, 0.00315211/step, 0.452503 hours remaining, 236.246094 MB of memory in use. ENERGY: 4483200 4037.5852 20511.2600 14490.2854 238.3948 -203542.2701 2759.1646 0.0000 0.0000 51904.4960 -109601.0840 298.2959 -161505.5801 -109232.5999 298.5513 -158.9986 -121.4148 761673.3819 6.9098 6.9726 PRESSURE: 4483400 424.749 -10.5927 117.479 -10.5931 199.167 89.5172 117.479 89.5167 340.118 GPRESSURE: 4483400 378.379 -95.4311 73.236 -92.5131 371.348 -2.06752 62.8425 80.5463 308.048 PRESSAVG: 4483400 -65.7853 -12.8 0.707666 -12.8 11.2075 20.1529 0.707703 20.1528 19.8605 GPRESSAVG: 4483400 -66.187 -12.7568 -0.787575 -14.5049 12.444 17.4627 2.33843 19.9256 18.9856 TIMING: 4483400 CPU: 14176.7, 0.00312068/step Wall: 14176.7, 0.00312068/step, 0.447818 hours remaining, 236.246094 MB of memory in use. ENERGY: 4483400 3936.3965 20468.2169 14469.2500 261.9205 -203484.7874 2785.6934 0.0000 0.0000 51969.5881 -109593.7219 298.6699 -161563.3100 -109241.0235 299.0752 321.3445 352.5915 760649.6797 -11.5724 -11.5858 PRESSURE: 4483600 99.9681 -91.2577 -31.4545 -91.2586 125.464 -19.8727 -31.4551 -19.8724 160.981 GPRESSURE: 4483600 147.311 -81.8288 0.184889 -173.06 134.455 107.881 22.7738 -9.28902 196.72 PRESSAVG: 4483600 20.1698 -29.9289 -9.1283 -29.9289 16.2862 -3.00482 -9.12828 -3.00487 -5.38521 GPRESSAVG: 4483600 19.3811 -32.2049 -8.27847 -29.4253 15.6762 -2.75091 -9.48421 -4.00902 -3.74344 TIMING: 4483600 CPU: 14177.3, 0.00313041/step Wall: 14177.3, 0.00313041/step, 0.44904 hours remaining, 236.246094 MB of memory in use. ENERGY: 4483600 4016.6262 20606.2650 14513.0891 247.0508 -204071.9753 3167.2718 0.0000 0.0000 51869.0930 -109652.5795 298.0924 -161521.6725 -109291.3962 298.5811 128.8045 159.4953 760867.2795 10.3569 10.4380 PRESSURE: 4483800 -429.78 -40.4617 9.35559 -40.4618 -48.4626 28.7167 9.35434 28.7161 -199.492 GPRESSURE: 4483800 -434.25 -38.9525 -32.7811 -71.8898 -8.71403 8.67124 45.8638 23.8597 -135.104 PRESSAVG: 4483800 9.31916 -11.0506 -11.565 -11.0507 3.23004 -8.48447 -11.565 -8.48449 6.44279 GPRESSAVG: 4483800 9.79919 -8.32653 -11.9826 -10.9306 2.95464 -7.93667 -12.3131 -8.03796 6.5045 TIMING: 4483800 CPU: 14177.9, 0.0031271/step Wall: 14177.9, 0.0031271/step, 0.448392 hours remaining, 236.246094 MB of memory in use. ENERGY: 4483800 4019.5689 20448.4178 14440.8648 251.4240 -203164.4750 2424.7981 0.0000 0.0000 51890.7598 -109688.6416 298.2169 -161579.4013 -109323.8233 298.6739 -225.9115 -192.6893 761526.0525 6.3307 6.4194 PRESSURE: 4484000 -219.147 -140.141 -76.3816 -140.141 -29.3523 -152.75 -76.3814 -152.751 -116.519 GPRESSURE: 4484000 -167.936 -18.5917 -27.1742 -161.918 -37.4426 -27.5649 -84.2668 -36.2643 -71.2475 PRESSAVG: 4484000 -2.21469 -19.1249 -22.8787 -19.1249 -36.1892 -5.36763 -22.8786 -5.36758 13.939 GPRESSAVG: 4484000 -1.4179 -17.8409 -21.0476 -19.3867 -35.9184 -4.3504 -23.7321 -5.48243 13.6868 TIMING: 4484000 CPU: 14178.5, 0.00314481/step Wall: 14178.5, 0.00314481/step, 0.450756 hours remaining, 236.246094 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: 4484000 4038.7786 20305.0245 14453.4556 250.6463 -202773.5421 2229.4579 0.0000 0.0000 51990.6203 -109505.5590 298.7908 -161496.1793 -109131.7919 298.5551 -121.6727 -92.2088 761106.7032 -8.1550 -7.8831 PRESSURE: 4484200 56.8783 -154.421 248.949 -154.421 286.275 -132.511 248.949 -132.511 -468.17 GPRESSURE: 4484200 164.245 -167.599 201.483 -191.256 251.676 -60.46 203.149 -241.686 -445.778 PRESSAVG: 4484200 3.36775 -35.9319 -16.3607 -35.9319 -48.1828 21.2394 -16.3607 21.2394 -13.0923 GPRESSAVG: 4484200 1.75373 -39.3974 -17.2588 -34.1824 -47.493 20.4654 -15.7594 21.7727 -12.0767 TIMING: 4484200 CPU: 14179.2, 0.00314217/step Wall: 14179.2, 0.00314217/step, 0.450204 hours remaining, 236.246094 MB of memory in use. ENERGY: 4484200 3909.2174 20495.8805 14509.2276 250.6440 -203276.5291 2631.6220 0.0000 0.0000 51817.3780 -109662.5595 297.7952 -161479.9375 -109301.7266 298.6396 -41.6725 -9.9523 761526.3595 -19.3025 -19.2720 LDB: ============= START OF LOAD BALANCING ============== 14191.7 LDB: ============== END OF LOAD BALANCING =============== 14191.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14191.7 LDB: ============= START OF LOAD BALANCING ============== 14192 LDB: Largest compute 7078 load 0.034775 is 17.8% of average load 0.195438 LDB: Average compute 0.004419 is 2.3% of average load 0.195438 LDB: TIME 14192 LOAD: AVG 0.195438 MAX 0.212454 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.246 MB LDB: TIME 14192 LOAD: AVG 0.195438 MAX 0.212454 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: TIME 14192 LOAD: AVG 0.195438 MAX 0.212454 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.449 MB LDB: ============== END OF LOAD BALANCING =============== 14192 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14192 PRESSURE: 4484400 244.018 15.7236 29.3308 15.7246 166.822 220.205 29.3312 220.204 -219.042 GPRESSURE: 4484400 245.152 -23.8925 5.54753 -49.0768 279.854 170.459 -0.915268 81.8511 -241.653 PRESSAVG: 4484400 28.7478 -64.4809 -30.868 -64.4809 -12.9267 21.524 -30.868 21.5239 -11.028 GPRESSAVG: 4484400 29.6059 -63.9199 -30.5973 -63.2759 -12.8253 21.9777 -30.8956 21.2974 -12.2772 TIMING: 4484400 CPU: 14179.8, 0.00320961/step Wall: 14179.8, 0.00320961/step, 0.459687 hours remaining, 235.964844 MB of memory in use. ENERGY: 4484400 3994.4963 20453.2648 14517.5635 235.8410 -203415.3015 2369.5752 0.0000 0.0000 52173.7267 -109670.8341 299.8431 -161844.5607 -109315.9050 298.9827 63.9326 94.4511 759999.0310 1.5977 1.5011 PRESSURE: 4484600 92.6585 -85.4518 -71.4167 -85.451 -215.964 136.915 -71.4174 136.915 -28.8445 GPRESSURE: 4484600 141.829 -128.596 -15.5682 -139.309 -173.246 240.647 -86.9328 172.788 -57.7272 PRESSAVG: 4484600 -0.54622 -29.3404 -19.4428 -29.3403 -3.24899 23.9931 -19.4428 23.9931 -19.0101 GPRESSAVG: 4484600 0.0964345 -28.9351 -21.5591 -32.4815 -4.56812 23.1913 -18.7975 25.1583 -18.4222 TIMING: 4484600 CPU: 14180.4, 0.00313501/step Wall: 14180.4, 0.00313501/step, 0.448829 hours remaining, 235.964844 MB of memory in use. ENERGY: 4484600 3949.4631 20677.5179 14460.6028 243.3948 -203349.1557 2416.8474 0.0000 0.0000 51985.5060 -109615.8238 298.7614 -161601.3298 -109263.8811 298.8631 -50.7165 -29.7149 758116.4747 -7.6018 -7.6313 PRESSURE: 4484800 -183.294 66.9586 124.801 66.9586 -78.5852 244.862 124.803 244.863 -419.79 GPRESSURE: 4484800 -185.839 63.9046 73.434 86.9583 18.4562 197.194 96.2733 340.238 -409.623 PRESSAVG: 4484800 48.5172 -35.5899 -20.6519 -35.5899 -37.3138 7.14726 -20.6518 7.1471 1.81923 GPRESSAVG: 4484800 47.8011 -35.6488 -19.4981 -33.051 -36.8048 6.43487 -20.3979 5.82232 1.21722 TIMING: 4484800 CPU: 14181.1, 0.0031353/step Wall: 14181.1, 0.0031353/step, 0.448696 hours remaining, 235.964844 MB of memory in use. ENERGY: 4484800 4030.6097 20431.7380 14463.8680 257.0372 -203365.9680 2495.3979 0.0000 0.0000 52071.8462 -109615.4711 299.2576 -161687.3173 -109256.9506 299.4168 -227.2230 -192.3352 759149.3041 4.3409 4.0712 PRESSURE: 4485000 -388.056 79.4024 -97.9142 79.4019 -306.867 53.837 -97.9136 53.8371 -348.23 GPRESSURE: 4485000 -420.27 165.933 15.7063 26.9505 -167.711 37.5844 -49.9113 6.79934 -364.601 PRESSAVG: 4485000 -15.1131 -49.1887 -10.1353 -49.1887 4.02307 -3.70179 -10.1352 -3.70178 -6.66458 GPRESSAVG: 4485000 -14.5202 -49.2561 -10.262 -50.3397 3.10644 -2.82724 -11.4451 -2.23933 -6.8022 TIMING: 4485000 CPU: 14181.7, 0.00312646/step Wall: 14181.7, 0.00312646/step, 0.447257 hours remaining, 235.964844 MB of memory in use. ENERGY: 4485000 4063.2463 20594.3804 14488.2200 242.9686 -203170.6926 2227.7648 0.0000 0.0000 52060.6850 -109493.4275 299.1935 -161554.1125 -109133.7907 299.2655 -347.7176 -317.5275 758834.9954 -5.9182 -6.0720 PRESSURE: 4485200 -210.245 -220.319 61.3488 -220.32 61.3259 23.8073 61.3495 23.8077 -69.0531 GPRESSURE: 4485200 -102.247 -183.723 155.73 -159.491 1.37668 -42.3548 44.6833 -71.7019 -41.9856 PRESSAVG: 4485200 -5.27804 2.76905 29.1267 2.76899 28.8245 -19.2701 29.1267 -19.2701 -5.7526 GPRESSAVG: 4485200 -5.83637 3.7252 29.3753 2.55141 28.6525 -19.6903 30.7357 -18.7884 -5.4703 TIMING: 4485200 CPU: 14182.3, 0.00311691/step Wall: 14182.3, 0.00311691/step, 0.445718 hours remaining, 235.964844 MB of memory in use. ENERGY: 4485200 4030.5190 20656.6218 14572.6961 265.3433 -203655.4942 2547.5386 0.0000 0.0000 52300.2880 -109282.4873 300.5705 -161582.7753 -108918.0361 299.9971 -72.6574 -47.6187 758647.5924 5.9313 5.7819 PRESSURE: 4485400 -89.5145 -240.568 -125.385 -240.568 189.359 -218.489 -125.385 -218.49 221.721 GPRESSURE: 4485400 -57.4636 -252.587 -146.224 -148.519 228.291 -306.179 -144.531 -119.95 236.2 PRESSAVG: 4485400 -36.9666 -51.3459 30.2453 -51.346 30.9755 -2.53448 30.2453 -2.53443 10.0835 GPRESSAVG: 4485400 -36.4677 -51.0112 29.7885 -51.9106 32.0823 -1.44319 30.9697 -5.57171 8.84677 TIMING: 4485400 CPU: 14182.9, 0.00314888/step Wall: 14182.9, 0.00314888/step, 0.450115 hours remaining, 235.964844 MB of memory in use. ENERGY: 4485400 4062.5603 20710.7247 14528.9874 248.4942 -203519.8949 2518.4503 0.0000 0.0000 52338.9534 -109111.7246 300.7927 -161450.6780 -108760.6381 300.4579 107.1884 135.6759 758822.0316 1.3641 1.4871 PRESSURE: 4485600 -115.648 -149.501 270.943 -149.501 -206.745 -3.40941 270.944 -3.41013 109.855 GPRESSURE: 4485600 -52.1532 -132.842 322.654 -155.518 -168.795 -37.7189 166.618 43.8471 93.5292 PRESSAVG: 4485600 18.0962 -53.5082 31.1319 -53.5082 -21.7724 13.9686 31.1319 13.9686 -4.37971 GPRESSAVG: 4485600 17.3427 -53.7986 32.7479 -52.5963 -21.1143 13.2898 27.6118 15.0815 -4.0121 TIMING: 4485600 CPU: 14183.6, 0.00314679/step Wall: 14183.6, 0.00314679/step, 0.449642 hours remaining, 235.964844 MB of memory in use. ENERGY: 4485600 4017.8300 20713.3379 14533.6550 252.2343 -203348.3329 2540.4896 0.0000 0.0000 52166.6004 -109124.1856 299.8022 -161290.7860 -108766.4194 300.3654 -70.8461 -42.4731 759970.7807 -2.6853 -2.5946 PRESSURE: 4485800 315.771 -101.837 69.5979 -101.838 297.732 -184.7 69.5984 -184.699 -327.861 GPRESSURE: 4485800 309.881 -44.8283 157.073 -53.3493 324.402 -280.833 116.973 -21.5558 -282.292 PRESSAVG: 4485800 -26.6894 -46.6101 19.1787 -46.6101 20.8256 15.6357 19.1788 15.6358 -5.35435 GPRESSAVG: 4485800 -25.0648 -47.2448 18.5995 -48.0897 19.0571 14.765 20.2249 15.3314 -5.20665 TIMING: 4485800 CPU: 14184.2, 0.00314002/step Wall: 14184.2, 0.00314002/step, 0.4485 hours remaining, 235.964844 MB of memory in use. ENERGY: 4485800 3951.6532 20871.7989 14552.8738 235.8091 -203580.2610 2620.8562 0.0000 0.0000 52255.3383 -109091.9316 300.3121 -161347.2699 -108729.4725 300.8437 95.2142 117.3303 759986.4767 -3.7394 -3.7381 PRESSURE: 4486000 121.632 -41.2363 147.744 -41.2368 29.7523 131.653 147.743 131.652 504.545 GPRESSURE: 4486000 205.278 62.4629 145.417 -78.1727 88.8955 139.714 103.314 79.491 450.808 PRESSAVG: 4486000 14.5151 -64.6935 35.6357 -64.6936 0.00979285 -14.9841 35.6356 -14.9841 6.9159 GPRESSAVG: 4486000 14.6741 -64.4299 35.2611 -62.6091 -0.561324 -12.2438 36.1819 -15.6366 7.75218 TIMING: 4486000 CPU: 14184.8, 0.0031403/step Wall: 14184.8, 0.0031403/step, 0.448365 hours remaining, 236.089844 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: 4486000 3965.9011 20690.2029 14469.5994 246.1148 -203294.6037 2713.6235 0.0000 0.0000 52017.2227 -109191.9394 298.9437 -161209.1620 -108835.1036 300.0740 218.6430 248.3270 761100.3100 7.1469 7.2883 PRESSURE: 4486200 61.9893 -265.501 -85.8365 -265.501 -181.403 128.178 -85.8362 128.178 115.163 GPRESSURE: 4486200 145.826 -203.386 -63.7716 -243.34 -181.963 126.692 -44.9897 115.95 104.925 PRESSAVG: 4486200 2.82815 -18.4186 -18.3312 -18.4185 -37.7593 -20.1263 -18.3313 -20.1263 -12.7463 GPRESSAVG: 4486200 2.21591 -17.4725 -17.9296 -20.181 -37.3795 -22.2854 -19.2645 -17.4893 -12.9295 TIMING: 4486200 CPU: 14185.5, 0.00313595/step Wall: 14185.5, 0.00313595/step, 0.447569 hours remaining, 236.089844 MB of memory in use. ENERGY: 4486200 4005.5638 20405.7561 14587.5981 245.1070 -203412.2273 2560.8053 0.0000 0.0000 52408.3084 -109199.0886 301.1913 -161607.3970 -108831.0529 300.2292 -1.4170 22.9296 761427.4354 -15.8925 -16.0310 PRESSURE: 4486400 -347.823 -49.1998 -209.602 -49.2007 -291.676 -80.8083 -209.602 -80.8091 -79.4152 GPRESSURE: 4486400 -397.769 -197.058 -210.872 -148.638 -194.345 -7.09264 -266.533 49.2614 -37.5808 PRESSAVG: 4486400 18.2924 -59.9542 -6.729 -59.9543 13.8675 -22.5134 -6.72901 -22.5133 0.467055 GPRESSAVG: 4486400 17.5678 -58.5683 -6.76209 -60.3348 14.4348 -21.7961 -5.51848 -23.4191 0.70699 TIMING: 4486400 CPU: 14186.1, 0.00313303/step Wall: 14186.1, 0.00313303/step, 0.446979 hours remaining, 236.089844 MB of memory in use. ENERGY: 4486400 3920.7670 20568.0245 14498.6112 245.2848 -202954.5176 2250.6545 0.0000 0.0000 52154.0083 -109317.1673 299.7298 -161471.1755 -108956.8528 299.6895 -239.6380 -209.8983 762988.4075 10.8757 10.9032 PRESSURE: 4486600 4.16505 95.4489 94.6809 95.449 -134.588 -105.746 94.6811 -105.745 -101.172 GPRESSURE: 4486600 26.6499 96.5138 4.05991 -57.5139 -107.678 -108.038 60.5113 -171.353 -42.4504 PRESSAVG: 4486600 -1.90183 14.3033 -28.852 14.3033 32.6681 -8.05718 -28.852 -8.05713 15.4507 GPRESSAVG: 4486600 -1.11344 11.2133 -29.9926 16.5147 32.3926 -9.61861 -32.4768 -8.38606 15.1204 TIMING: 4486600 CPU: 14186.7, 0.00313733/step Wall: 14186.7, 0.00313733/step, 0.447418 hours remaining, 236.089844 MB of memory in use. ENERGY: 4486600 4047.2007 20600.2287 14490.4473 251.6837 -203217.0858 2351.3090 0.0000 0.0000 52064.2375 -109411.9788 299.2139 -161476.2163 -109052.5804 299.0308 -77.1985 -41.1596 762279.8587 15.4056 15.4665 PRESSURE: 4486800 -89.6261 52.9691 -31.6454 52.9689 141.534 -9.55413 -31.646 -9.55458 79.2164 GPRESSURE: 4486800 -41.3833 6.90353 -18.8429 40.2966 140.288 48.4919 -125.315 124.511 130.837 PRESSAVG: 4486800 28.9271 18.7511 -17.6356 18.7511 -35.3799 1.83345 -17.6356 1.83348 2.57925 GPRESSAVG: 4486800 29.3652 21.111 -17.6232 15.5427 -34.9817 2.31107 -14.5895 2.64984 1.59455 TIMING: 4486800 CPU: 14187.3, 0.00313665/step Wall: 14187.3, 0.00313665/step, 0.447147 hours remaining, 236.089844 MB of memory in use. ENERGY: 4486800 3895.2729 20585.2518 14572.6995 251.7107 -203640.2376 2694.6378 0.0000 0.0000 52207.8301 -109432.8347 300.0391 -161640.6648 -109062.1830 298.9746 43.7082 76.5807 760904.3741 -1.2912 -1.3406 PRESSURE: 4487000 -66.2826 -108.83 86.4861 -108.83 -193.615 135.918 86.4854 135.918 -66.3787 GPRESSURE: 4487000 -100.994 -143.116 7.69374 -63.4185 -127.579 184.858 87.4248 183.529 -15.7398 PRESSAVG: 4487000 -44.2264 -38.4961 -30.4885 -38.4961 2.06935 -45.1433 -30.4885 -45.1433 -13.9522 GPRESSAVG: 4487000 -45.2953 -40.3481 -31.0429 -37.1406 1.93261 -43.0921 -30.3856 -45.031 -12.9294 TIMING: 4487000 CPU: 14188, 0.00311807/step Wall: 14188, 0.00311807/step, 0.444326 hours remaining, 236.089844 MB of memory in use. ENERGY: 4487000 4058.8807 20520.3054 14488.5522 233.7078 -203469.8564 2513.8465 0.0000 0.0000 52147.4857 -109507.0782 299.6923 -161654.5638 -109141.8152 299.1089 -108.7587 -81.4376 760867.8091 -18.7031 -18.7640 PRESSURE: 4487200 234.459 -2.12756 97.9793 -2.12806 38.9518 166.051 97.9792 166.05 400.761 GPRESSURE: 4487200 308.473 39.2974 84.2813 -5.26509 45.7928 155.501 72.5355 131.686 419.658 PRESSAVG: 4487200 12.6372 -20.8508 3.31168 -20.8508 10.2188 4.85037 3.31173 4.85036 15.2385 GPRESSAVG: 4487200 12.7366 -20.5459 3.59401 -19.9512 10.5715 5.13503 4.25557 5.16635 14.8014 TIMING: 4487200 CPU: 14188.6, 0.00312037/step Wall: 14188.6, 0.00312037/step, 0.44448 hours remaining, 236.089844 MB of memory in use. ENERGY: 4487200 4014.6007 20458.0013 14445.2448 238.7030 -203590.9388 2674.7090 0.0000 0.0000 52261.2386 -109498.4414 300.3461 -161759.6799 -109127.4279 299.3309 224.7241 257.9748 760393.0772 12.6982 12.7032 PRESSURE: 4487400 -289.542 -133.647 -84.2641 -133.646 175.56 170.81 -84.2643 170.811 168.656 GPRESSURE: 4487400 -229.505 -82.8672 72.8729 -158.461 206.831 27.5829 -140.278 188.275 170.834 PRESSAVG: 4487400 -23.8848 -47.2356 -13.4561 -47.2356 48.1893 27.2553 -13.4561 27.2552 11.0365 GPRESSAVG: 4487400 -23.3885 -47.7301 -12.9412 -47.4079 48.4125 26.5459 -15.4241 24.3984 10.8563 TIMING: 4487400 CPU: 14189.2, 0.00316722/step Wall: 14189.2, 0.00316722/step, 0.450976 hours remaining, 236.089844 MB of memory in use. ENERGY: 4487400 3969.3535 20581.5722 14527.0180 264.1061 -203509.1050 2588.4295 0.0000 0.0000 52249.7079 -109328.9178 300.2798 -161578.6257 -108961.8729 299.5139 18.2247 49.3867 760680.8163 11.7803 11.9601 PRESSURE: 4487600 -302.852 -62.7653 -52.9856 -62.7653 -22.3214 145.573 -52.9855 145.573 235.089 GPRESSURE: 4487600 -287.496 -72.6825 -48.1716 -34.2758 91.7379 113.056 -177.365 63.5692 199.746 PRESSAVG: 4487600 -11.1484 -38.3424 56.9225 -38.3424 26.675 -16.0872 56.9225 -16.0872 -5.3642 GPRESSAVG: 4487600 -11.6678 -38.8496 58.3556 -37.9629 27.225 -16.1656 55.285 -16.3086 -4.95778 TIMING: 4487600 CPU: 14189.8, 0.00315714/step Wall: 14189.8, 0.00315714/step, 0.449366 hours remaining, 236.089844 MB of memory in use. ENERGY: 4487600 3984.9149 20660.4141 14422.4243 235.2828 -203026.0452 2484.4676 0.0000 0.0000 52067.0524 -109171.4891 299.2301 -161238.5415 -108807.9000 300.0092 -30.0280 1.3293 761428.2852 3.3875 3.5331 PRESSURE: 4487800 -264.825 -95.4358 -217.518 -95.4358 -241.775 -125.216 -217.518 -125.215 279.759 GPRESSURE: 4487800 -267.795 24.2449 -142.83 -100.401 -138.057 -82.769 -168.578 -163.358 246.991 PRESSAVG: 4487800 -63.6938 -45.6288 -81.7091 -45.6288 56.8049 -37.3247 -81.7092 -37.3247 5.16331 GPRESSAVG: 4487800 -63.0839 -44.4827 -84.1119 -45.7631 55.3023 -37.2168 -78.9299 -38.543 5.69142 TIMING: 4487800 CPU: 14190.5, 0.00314434/step Wall: 14190.5, 0.00314434/step, 0.447369 hours remaining, 236.089844 MB of memory in use. ENERGY: 4487800 3963.8079 20547.9995 14508.8462 238.4671 -203385.4406 2678.2879 0.0000 0.0000 52244.4232 -109203.6088 300.2494 -161448.0320 -108828.1454 299.8455 -75.6137 -52.9536 761962.7823 -0.5752 -0.6967 PRESSURE: 4488000 -51.6234 -119.513 -240.042 -119.514 107.674 -190.789 -240.043 -190.788 -36.1004 GPRESSURE: 4488000 -41.9788 -105.361 -185.513 -126.737 52.2094 -134.605 -192.351 -191.292 95.3205 PRESSAVG: 4488000 -55.0603 -93.1078 -83.8226 -93.1078 35.4041 -10.49 -83.8226 -10.4899 -15.0247 GPRESSAVG: 4488000 -56.0368 -93.6432 -82.5946 -95.0978 37.3573 -11.9994 -85.4425 -7.20313 -15.5967 TIMING: 4488000 CPU: 14191.1, 0.00314905/step Wall: 14191.1, 0.00314905/step, 0.447865 hours remaining, 236.089844 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: 4488000 3980.4723 20508.9746 14511.1575 237.5437 -203702.4794 2971.8891 0.0000 0.0000 52074.1093 -109418.3329 299.2706 -161492.4422 -109066.1966 299.4913 6.6500 35.1837 761704.6869 -11.5603 -11.4254 PRESSURE: 4488200 -381.874 43.7209 109.844 43.7213 -82.1453 -125.294 109.843 -125.294 -205.897 GPRESSURE: 4488200 -301.08 -34.4322 188.883 135.055 -82.6005 -70.5172 206.2 -14.8047 -189.353 PRESSAVG: 4488200 15.8121 -15.8297 -52.9177 -15.8298 -16.0302 -8.00661 -52.9177 -8.00667 -2.45115 GPRESSAVG: 4488200 15.0842 -14.1689 -53.6218 -15.7532 -16.6213 -6.3399 -52.8595 -9.21252 -1.33368 TIMING: 4488200 CPU: 14191.7, 0.00315348/step Wall: 14191.7, 0.00315348/step, 0.448319 hours remaining, 236.089844 MB of memory in use. ENERGY: 4488200 3984.9656 20520.3568 14528.4760 248.8927 -203200.3871 2518.7804 0.0000 0.0000 52145.7896 -109253.1260 299.6826 -161398.9155 -108894.9848 299.6335 -223.3055 -191.0112 761704.1134 -0.8898 -0.9569 LDB: ============= START OF LOAD BALANCING ============== 14204.3 LDB: ============== END OF LOAD BALANCING =============== 14204.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14204.3 LDB: ============= START OF LOAD BALANCING ============== 14204.6 LDB: Largest compute 7078 load 0.035946 is 18.4% of average load 0.195644 LDB: Average compute 0.004390 is 2.2% of average load 0.195644 LDB: TIME 14204.6 LOAD: AVG 0.195644 MAX 0.213946 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.41 MB LDB: TIME 14204.6 LOAD: AVG 0.195644 MAX 0.213946 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: TIME 14204.6 LOAD: AVG 0.195644 MAX 0.213946 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.523 MB LDB: ============== END OF LOAD BALANCING =============== 14204.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14204.6 PRESSURE: 4488400 127.727 173.708 -268.282 173.707 20.7922 196.787 -268.282 196.787 -240.657 GPRESSURE: 4488400 138.562 190.475 -202.058 69.7617 -8.67959 152.686 -212.323 125.633 -142.086 PRESSAVG: 4488400 15.886 -56.8223 -43.5351 -56.8224 -26.7143 34.6055 -43.5351 34.6054 3.79111 GPRESSAVG: 4488400 17.1797 -59.6322 -43.4354 -57.144 -28.1638 34.0473 -43.5561 33.7996 3.46621 TIMING: 4488400 CPU: 14192.4, 0.00322489/step Wall: 14192.4, 0.00322489/step, 0.458293 hours remaining, 235.652344 MB of memory in use. ENERGY: 4488400 3998.5540 20608.1383 14503.3952 243.0759 -203235.3499 2642.2801 0.0000 0.0000 52093.1237 -109146.7828 299.3799 -161239.9064 -108781.0485 299.5807 -30.7126 -4.0678 762862.5461 -2.3457 -2.5060 PRESSURE: 4488600 288.723 101.682 -103.041 101.682 190.34 -94.3908 -103.042 -94.39 42.9853 GPRESSURE: 4488600 268.672 78.4609 -146.368 -28.666 212.516 -77.6105 -73.1529 -41.4351 114.754 PRESSAVG: 4488600 -6.3811 -18.3362 -109.337 -18.3361 -3.80412 -6.03268 -109.337 -6.0327 0.856398 GPRESSAVG: 4488600 -7.17391 -17.9998 -108.979 -16.8904 -2.72394 -6.59125 -110.039 -6.33766 1.01406 TIMING: 4488600 CPU: 14193, 0.00316444/step Wall: 14193, 0.00316444/step, 0.449526 hours remaining, 235.691406 MB of memory in use. ENERGY: 4488600 4087.9283 20581.3924 14500.6708 236.6270 -203368.1272 2757.4379 0.0000 0.0000 51967.5046 -109236.5660 298.6580 -161204.0706 -108878.7432 299.2526 174.0161 198.6472 762643.8578 -3.1096 -2.9613 PRESSURE: 4488800 -136.673 -42.3207 76.3707 -42.3204 177.772 76.8239 76.3716 76.8246 218.025 GPRESSURE: 4488800 33.0342 -66.5592 60.4655 11.0872 155.338 26.9232 210.978 157.741 160.442 PRESSAVG: 4488800 -11.3267 -37.8038 -14.9924 -37.8038 11.3789 -26.4816 -14.9924 -26.4816 27.9965 GPRESSAVG: 4488800 -10.4319 -37.9965 -14.9041 -38.5196 10.8726 -25.8327 -14.0763 -25.3271 27.6271 TIMING: 4488800 CPU: 14193.6, 0.00314014/step Wall: 14193.6, 0.00314014/step, 0.445899 hours remaining, 235.691406 MB of memory in use. ENERGY: 4488800 4019.7840 20446.6922 14402.7094 242.9359 -203281.8576 2906.9206 0.0000 0.0000 52110.9020 -109151.9136 299.4821 -161262.8156 -108782.7997 299.7168 86.3747 116.2713 763307.9346 9.3496 9.3560 PRESSURE: 4489000 72.9095 30.3209 38.9895 30.3215 -109.278 -142.417 38.9901 -142.417 -53.7792 GPRESSURE: 4489000 93.0997 57.5486 13.6066 -47.8148 -127.591 -163.717 -11.1445 -164.141 37.3763 PRESSAVG: 4489000 6.34723 -1.67441 12.6996 -1.6744 -11.2161 -10.2689 12.6996 -10.269 17.0163 GPRESSAVG: 4489000 5.89301 -0.51211 12.239 0.493086 -10.1948 -11.8239 11.7512 -10.1174 16.8113 TIMING: 4489000 CPU: 14194.3, 0.0031431/step Wall: 14194.3, 0.0031431/step, 0.446145 hours remaining, 235.691406 MB of memory in use. ENERGY: 4489000 4037.0327 20613.2293 14442.5414 237.0830 -203439.8330 2727.5109 0.0000 0.0000 52209.5093 -109172.9263 300.0488 -161382.4356 -108801.9596 299.7337 -30.0493 0.9617 763583.5997 4.0491 4.1698 PRESSURE: 4489200 123.938 -135.055 -69.2544 -135.056 -99.6469 158.08 -69.2541 158.078 -113.648 GPRESSURE: 4489200 153.517 -49.2073 -88.9454 -260.272 1.88923 185.758 -115.979 -7.30642 -163.066 PRESSAVG: 4489200 27.9797 -8.78493 -8.16872 -8.78497 18.874 -27.7385 -8.1687 -27.7385 -14.5115 GPRESSAVG: 4489200 27.7119 -9.43364 -6.80278 -12.0307 19.0557 -25.4393 -8.5196 -27.8403 -14.4487 TIMING: 4489200 CPU: 14194.9, 0.00313721/step Wall: 14194.9, 0.00313721/step, 0.445136 hours remaining, 235.691406 MB of memory in use. ENERGY: 4489200 4045.4139 20667.9482 14514.9627 262.2324 -203365.2435 2788.5075 0.0000 0.0000 51899.4788 -109186.7000 298.2670 -161086.1788 -108833.7754 299.5663 -29.7859 -2.5533 763209.8894 10.7807 10.7730 PRESSURE: 4489400 -76.5684 -112.151 -2.67423 -112.152 201.154 -33.9744 -2.67366 -33.9744 -129.843 GPRESSURE: 4489400 -24.4606 -58.5501 47.1392 63.5943 181.004 -8.54339 -45.9092 63.9684 -81.568 PRESSAVG: 4489400 -4.75823 -27.4273 -14.8435 -27.4273 56.6994 7.83233 -14.8435 7.83235 -25.548 GPRESSAVG: 4489400 -5.07853 -27.0226 -14.3409 -24.8276 54.9852 6.89876 -14.8055 8.35144 -22.7366 TIMING: 4489400 CPU: 14195.5, 0.00314712/step Wall: 14195.5, 0.00314712/step, 0.446366 hours remaining, 235.894531 MB of memory in use. ENERGY: 4489400 3960.4607 20613.3511 14498.2421 227.6911 -203260.0102 2729.4149 0.0000 0.0000 52011.5831 -109219.2673 298.9113 -161230.8504 -108862.9199 298.9616 -1.7524 24.9917 764035.4785 8.7977 9.0567 PRESSURE: 4489600 62.6136 169.997 103.502 169.997 66.9047 -53.7987 103.502 -53.7986 -333.436 GPRESSURE: 4489600 128.213 59.9009 84.0131 162.564 117.472 -75.4278 75.6359 -69.1912 -386.693 PRESSAVG: 4489600 -3.6136 -65.4165 33.437 -65.4165 5.14233 -25.246 33.437 -25.246 -1.74271 GPRESSAVG: 4489600 -2.31249 -66.7488 32.4253 -67.2979 7.1229 -24.5154 34.4463 -25.5708 -4.26743 TIMING: 4489600 CPU: 14196.2, 0.00315223/step Wall: 14196.2, 0.00315223/step, 0.446916 hours remaining, 235.894531 MB of memory in use. ENERGY: 4489600 4021.7138 20575.5019 14451.1422 229.8967 -203215.1972 2679.4575 0.0000 0.0000 52040.6098 -109216.8753 299.0781 -161257.4851 -108851.8221 298.7908 -67.9725 -47.0027 763116.8220 -0.0713 0.1810 PRESSURE: 4489800 -58.9308 -222.142 141.378 -222.14 99.0189 202.195 141.378 202.196 401.318 GPRESSURE: 4489800 47.1559 -164.343 182.193 -164.391 106.73 119.431 28.7137 157.11 350.737 PRESSAVG: 4489800 -24.9552 -31.6647 41.9649 -31.6647 80.6536 58.3781 41.9649 58.378 -8.08885 GPRESSAVG: 4489800 -25.5577 -30.0331 42.2156 -32.9418 80.9492 58.0858 42.7317 60.2801 -7.97359 TIMING: 4489800 CPU: 14196.8, 0.00314144/step Wall: 14196.8, 0.00314144/step, 0.445211 hours remaining, 235.894531 MB of memory in use. ENERGY: 4489800 3946.4941 20671.4123 14476.1494 236.3098 -203742.7482 3084.3678 0.0000 0.0000 52081.6238 -109246.3910 299.3138 -161328.0148 -108884.7631 298.9820 147.1353 168.2076 763821.3815 15.8698 15.8060 PRESSURE: 4490000 -121.301 123.676 -145.37 123.677 194.166 151.446 -145.371 151.447 -177.219 GPRESSURE: 4490000 -5.62857 57.5083 -71.2318 95.489 183.489 120.895 -145.147 233.732 -200.221 PRESSAVG: 4490000 -34.4882 -16.9253 7.28115 -16.9252 26.9559 -7.51414 7.28115 -7.51418 -14.3804 GPRESSAVG: 4490000 -32.4706 -17.9411 7.17253 -16.6862 26.3027 -8.26087 7.37361 -8.59471 -14.8911 TIMING: 4490000 CPU: 14197.4, 0.00314023/step Wall: 14197.4, 0.00314023/step, 0.444865 hours remaining, 235.894531 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: 4490000 4007.3735 20581.7897 14449.4393 255.2539 -203686.3367 2848.0993 0.0000 0.0000 52159.1058 -109385.2752 299.7591 -161544.3810 -109023.5901 298.9879 -34.7850 -7.4536 761814.9071 -7.3042 -7.0197 PRESSURE: 4490200 -462.052 18.7523 -7.50546 18.7529 -307.958 11.1937 -7.50538 11.1936 -821.534 GPRESSURE: 4490200 -467.558 -33.2359 -68.0115 -38.634 -243.312 -10.4416 9.68549 98.336 -772.568 PRESSAVG: 4490200 -34.4369 -55.95 9.64961 -55.95 6.33902 2.82933 9.6496 2.82934 -31.1749 GPRESSAVG: 4490200 -36.7708 -55.3141 8.97626 -56.2176 6.4483 4.31551 7.97341 4.59396 -28.6638 TIMING: 4490200 CPU: 14198, 0.00314543/step Wall: 14198, 0.00314543/step, 0.445428 hours remaining, 235.894531 MB of memory in use. ENERGY: 4490200 4035.4317 20328.1046 14508.7938 253.2212 -203237.0211 2440.5027 0.0000 0.0000 52236.9934 -109433.9737 300.2067 -161670.9671 -109066.1069 298.5569 -530.5148 -494.4796 765870.0831 -19.7576 -19.6621 PRESSURE: 4490400 126.316 -122.244 -181.656 -122.244 -258.586 -57.5862 -181.656 -57.5866 -113.931 GPRESSURE: 4490400 195.315 -155.687 -114.987 -37.7928 -233.814 -116.441 -201.923 -51.0257 -126.534 PRESSAVG: 4490400 13.78 -85.1282 -9.38197 -85.1282 -27.4148 -30.465 -9.38205 -30.465 21.1644 GPRESSAVG: 4490400 15.9815 -85.6769 -9.84076 -84.04 -28.1447 -31.3556 -7.70341 -32.3188 19.8344 TIMING: 4490400 CPU: 14198.7, 0.00314966/step Wall: 14198.7, 0.00314966/step, 0.445851 hours remaining, 235.894531 MB of memory in use. ENERGY: 4490400 4002.2342 20523.5018 14479.3389 238.1296 -203148.8466 2576.7107 0.0000 0.0000 51904.2203 -109424.7111 298.2943 -161328.9314 -109056.2473 298.8029 -82.0669 -55.0111 763900.6615 2.5099 2.5571 PRESSURE: 4490600 -153.535 -134.02 -33.8996 -134.02 16.0444 161.112 -33.8996 161.112 297.456 GPRESSURE: 4490600 -158.13 -172.911 -65.4942 -137.076 119.604 150.833 -22.0442 88.6952 282.277 PRESSAVG: 4490600 -18.2864 -0.696638 -3.12729 -0.696559 6.16098 -15.8848 -3.12725 -15.8848 -3.06121 GPRESSAVG: 4490600 -19.0762 0.846413 -2.19179 -1.46789 7.04757 -14.6343 -3.84527 -15.2011 -3.05236 TIMING: 4490600 CPU: 14199.3, 0.00314327/step Wall: 14199.3, 0.00314327/step, 0.444773 hours remaining, 235.894531 MB of memory in use. ENERGY: 4490600 3945.6486 20594.5689 14482.9260 253.4465 -203412.3104 2866.9460 0.0000 0.0000 52191.9692 -109076.8051 299.9480 -161268.7743 -108722.6684 299.4124 53.3217 81.2502 762005.7184 -5.0622 -5.0270 PRESSURE: 4490800 304.637 -55.6453 -311.824 -55.6448 65.7001 219.259 -311.823 219.259 -378.152 GPRESSURE: 4490800 260.893 -192.586 -283.471 -77.9301 81.4362 196.834 -334.787 142.522 -251.214 PRESSAVG: 4490800 27.306 -43.8492 6.10527 -43.8492 -10.3789 6.01285 6.10532 6.01287 -40.805 GPRESSAVG: 4490800 26.7981 -44.4296 6.76753 -43.1423 -10.1136 5.62523 6.26534 6.13531 -40.5838 TIMING: 4490800 CPU: 14199.9, 0.0031396/step Wall: 14199.9, 0.0031396/step, 0.444079 hours remaining, 236.097656 MB of memory in use. ENERGY: 4490800 3955.0881 20716.8730 14479.3989 242.3645 -203531.6888 2860.4618 0.0000 0.0000 52344.6886 -108932.8138 300.8256 -161277.5025 -108568.5403 300.4147 -2.6049 30.3718 761890.4144 -7.9593 -7.9664 PRESSURE: 4491000 -421.722 67.4189 116.825 67.4183 -498.952 -7.81647 116.825 -7.81555 -347.233 GPRESSURE: 4491000 -328.744 106.316 95.1435 53.4601 -518.332 -25.2304 125.337 33.3815 -347.027 PRESSAVG: 4491000 -19.8096 -63.8787 -15.3039 -63.8787 -5.59395 50.9966 -15.3039 50.9965 -15.6346 GPRESSAVG: 4491000 -18.8842 -63.0626 -15.687 -64.9131 -5.28859 51.4836 -17.8352 51.3711 -16.684 TIMING: 4491000 CPU: 14200.6, 0.00314197/step Wall: 14200.6, 0.00314197/step, 0.444239 hours remaining, 236.097656 MB of memory in use. ENERGY: 4491000 3993.7849 20517.1893 14490.0437 242.8721 -202603.5576 2167.6411 0.0000 0.0000 52323.4598 -108868.5667 300.7036 -161192.0265 -108505.9602 300.3606 -422.6355 -398.0345 763181.5753 -13.6794 -13.6189 PRESSURE: 4491200 -295.739 227.814 -187.78 227.815 -100.155 58.2526 -187.781 58.2536 24.5348 GPRESSURE: 4491200 -192.133 150.961 -98.9268 189.106 -85.2365 70.7039 -298.667 45.7762 7.08704 PRESSAVG: 4491200 -25.2574 23.7326 8.74517 23.7326 23.6092 29.0947 8.74516 29.0946 -2.47348 GPRESSAVG: 4491200 -25.1027 22.9962 8.21361 26.661 21.2277 30.7061 9.71167 27.8886 -0.474442 TIMING: 4491200 CPU: 14201.2, 0.00314107/step Wall: 14201.2, 0.00314107/step, 0.443938 hours remaining, 236.097656 MB of memory in use. ENERGY: 4491200 3980.8046 20794.4025 14478.1241 255.6250 -203169.3052 2526.8580 0.0000 0.0000 51993.4162 -109140.0749 298.8069 -161133.4911 -108786.8161 300.1647 -123.7866 -90.0943 762338.1324 -1.3739 -1.4498 PRESSURE: 4491400 -5.93018 -31.2143 -191.934 -31.214 116.791 53.911 -191.933 53.9114 -280.452 GPRESSURE: 4491400 -7.1982 131.271 -153.022 32.9119 158.698 42.834 -154.294 153.441 -240.517 PRESSAVG: 4491400 -19.5285 49.188 -21.9109 49.188 24.0102 16.5145 -21.911 16.5146 10.8784 GPRESSAVG: 4491400 -19.4557 51.4061 -21.9159 47.5743 25.0423 14.803 -20.6855 18.7474 9.84592 TIMING: 4491400 CPU: 14201.8, 0.00315034/step Wall: 14201.8, 0.00315034/step, 0.445074 hours remaining, 236.097656 MB of memory in use. ENERGY: 4491400 3959.8754 20705.0471 14474.6847 233.1886 -202925.3325 2258.9402 0.0000 0.0000 51986.2863 -109307.3103 298.7659 -161293.5966 -108955.0697 299.0820 -56.5303 -29.6722 763134.0859 5.1200 5.1442 PRESSURE: 4491600 98.9416 18.356 55.9573 18.3571 -40.8696 44.5156 55.9578 44.5165 -364.691 GPRESSURE: 4491600 66.5144 0.52296 3.75022 -142.568 17.1671 30.6486 109.706 159.981 -286.564 PRESSAVG: 4491600 5.62327 -73.7077 -60.5432 -73.7077 -12.0937 59.4874 -60.5432 59.4874 2.45521 GPRESSAVG: 4491600 4.62986 -76.2661 -59.7327 -72.8533 -10.9977 58.3518 -59.7193 58.0823 2.35258 TIMING: 4491600 CPU: 14202.4, 0.00314751/step Wall: 14202.4, 0.00314751/step, 0.444498 hours remaining, 236.097656 MB of memory in use. ENERGY: 4491600 3903.0418 20602.0637 14469.8875 241.3476 -203054.0863 2383.6413 0.0000 0.0000 52041.0649 -109413.0395 299.0807 -161454.1044 -109048.2612 299.3990 -102.2062 -67.6276 762156.1948 -1.3384 -1.3384 PRESSURE: 4491800 -47.2882 -24.2875 -26.9169 -24.2878 -25.3774 30.6061 -26.9153 30.6072 -316.098 GPRESSURE: 4491800 53.607 0.015418 -87.9366 -88.2762 -18.8096 -48.4781 -58.2992 60.5359 -324.065 PRESSAVG: 4491800 -3.46354 -6.70354 -40.8978 -6.70354 -12.1258 -18.0256 -40.8979 -18.0256 4.39409 GPRESSAVG: 4491800 -1.61635 -6.62953 -42.9046 -7.99802 -13.5907 -16.8875 -43.312 -19.3745 4.69342 TIMING: 4491800 CPU: 14203.1, 0.00314776/step Wall: 14203.1, 0.00314776/step, 0.444359 hours remaining, 236.097656 MB of memory in use. ENERGY: 4491800 3971.9821 20633.4081 14454.2644 256.9440 -203361.3828 2462.6262 0.0000 0.0000 52168.8091 -109413.3489 299.8149 -161582.1580 -109049.0628 299.2179 -129.5878 -96.4225 761925.3186 -3.7317 -3.5046 PRESSURE: 4492000 -56.7563 -103.013 29.9961 -103.013 41.0044 -9.66367 29.9959 -9.66415 384.826 GPRESSURE: 4492000 -170.373 -12.0329 -146.679 -211.415 132.38 -32.533 15.4662 34.7121 470.052 PRESSAVG: 4492000 -17.8094 -35.9135 -22.8853 -35.9135 38.8995 27.6055 -22.8853 27.6055 6.45685 GPRESSAVG: 4492000 -19.8915 -35.4987 -22.3661 -34.807 40.5616 27.4115 -22.7802 28.5305 6.98056 TIMING: 4492000 CPU: 14203.7, 0.00313429/step Wall: 14203.7, 0.00313429/step, 0.442283 hours remaining, 236.097656 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: 4492000 4006.6909 20558.5677 14544.0194 239.1744 -203604.7830 2885.4011 0.0000 0.0000 52016.7452 -109354.1843 298.9409 -161370.9295 -108982.7545 299.5463 123.0249 144.0197 762130.3690 9.1823 9.2169 PRESSURE: 4492200 -34.8428 -90.2911 -19.2026 -90.2913 175.554 -74.5131 -19.2028 -74.5135 -526.545 GPRESSURE: 4492200 27.2193 -180.728 -52.0481 -52.4482 102.332 -147.676 100.4 -118.847 -441.851 PRESSAVG: 4492200 -60.0797 -38.3526 -27.7047 -38.3526 82.9914 -48.3126 -27.7047 -48.3125 -16.905 GPRESSAVG: 4492200 -60.5591 -40.751 -27.8829 -37.5615 81.984 -48.5742 -28.464 -48.6278 -15.9507 TIMING: 4492200 CPU: 14204.3, 0.00313039/step Wall: 14204.3, 0.00313039/step, 0.441559 hours remaining, 236.097656 MB of memory in use. ENERGY: 4492200 3967.5154 20726.8219 14558.7374 251.6856 -203480.4407 2508.6577 0.0000 0.0000 51972.6782 -109494.3445 298.6877 -161467.0227 -109137.0044 299.2426 -128.6111 -104.0999 761299.2656 2.0022 1.8247 LDB: ============= START OF LOAD BALANCING ============== 14216.9 LDB: ============== END OF LOAD BALANCING =============== 14216.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14216.9 LDB: ============= START OF LOAD BALANCING ============== 14217.2 LDB: Largest compute 7078 load 0.034555 is 17.7% of average load 0.195550 LDB: Average compute 0.004387 is 2.2% of average load 0.195550 LDB: TIME 14217.2 LOAD: AVG 0.19555 MAX 0.215673 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 14217.2 LOAD: AVG 0.19555 MAX 0.215673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: TIME 14217.2 LOAD: AVG 0.19555 MAX 0.215673 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.398 MB LDB: ============== END OF LOAD BALANCING =============== 14217.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14217.2 PRESSURE: 4492400 -37.4702 124.621 -10.6634 124.621 -128.405 -151.444 -10.663 -151.444 -431.242 GPRESSURE: 4492400 35.6931 143.79 -52.5269 164.861 -96.7973 -174.708 -130.152 -17.6273 -434.141 PRESSAVG: 4492400 -18.1414 -15.5932 -14.9454 -15.5931 53.4976 8.92638 -14.9455 8.92632 -2.67265 GPRESSAVG: 4492400 -17.4191 -13.4707 -13.795 -15.9209 54.0274 7.54818 -13.0457 11.158 -3.75129 TIMING: 4492400 CPU: 14205, 0.00321494/step Wall: 14205, 0.00321494/step, 0.453307 hours remaining, 234.882812 MB of memory in use. ENERGY: 4492400 3961.0840 20602.6968 14521.4871 232.9566 -203555.7631 2661.9927 0.0000 0.0000 52134.3699 -109441.1759 299.6169 -161575.5457 -109072.1932 299.3888 -199.0391 -165.0818 761430.7521 10.8945 10.9523 PRESSURE: 4492600 -366.873 80.9297 -63.9514 80.9291 139.092 376.662 -63.9515 376.662 13.1449 GPRESSURE: 4492600 -274.419 130.556 -102.118 51.6591 109.024 314.364 -125.691 350.385 50.7601 PRESSAVG: 4492600 24.1006 45.4229 -28.4315 45.4228 66.1119 38.6923 -28.4315 38.6924 3.29236 GPRESSAVG: 4492600 25.332 44.7126 -27.4551 45.9828 65.831 41.4619 -28.906 36.356 2.4618 TIMING: 4492600 CPU: 14205.6, 0.00315228/step Wall: 14205.6, 0.00315228/step, 0.444297 hours remaining, 235.125000 MB of memory in use. ENERGY: 4492600 4040.8629 20524.3339 14556.9267 243.5000 -203691.1265 2858.1825 0.0000 0.0000 52222.4767 -109244.8438 300.1233 -161467.3205 -108875.3699 299.5501 -71.5454 -38.2115 761583.3707 31.1683 31.2083 PRESSURE: 4492800 -16.0053 -161.538 -31.2922 -161.538 -75.8064 -27.9598 -31.2924 -27.9603 79.6058 GPRESSURE: 4492800 7.6244 -260.373 -19.643 -141.048 32.2938 -99.5234 78.9723 97.7897 27.7402 PRESSAVG: 4492800 21.2227 8.72993 13.3211 8.72992 -38.174 50.3856 13.3211 50.3855 -18.2687 GPRESSAVG: 4492800 21.3536 8.29045 11.2884 8.93046 -38.0819 48.5339 13.9908 50.0711 -18.5813 TIMING: 4492800 CPU: 14206.2, 0.00315136/step Wall: 14206.2, 0.00315136/step, 0.443992 hours remaining, 235.125000 MB of memory in use. ENERGY: 4492800 4000.3827 20518.1504 14502.0637 258.1318 -203728.2927 2793.4438 0.0000 0.0000 52276.3020 -109379.8182 300.4326 -161656.1202 -109012.4109 299.7682 -4.0686 22.5528 761266.8933 -11.7400 -11.7698 PRESSURE: 4493000 120.76 290.285 -155.316 290.285 253.963 -1.72713 -155.316 -1.72772 134.151 GPRESSURE: 4493000 147.734 211.66 -125.855 315.854 240.317 29.3735 -171.564 107.944 207.028 PRESSAVG: 4493000 -8.78515 -40.516 60.5316 -40.516 15.5213 35.3148 60.5315 35.3147 -21.777 GPRESSAVG: 4493000 -9.72474 -39.3632 60.8596 -40.8836 16.3581 34.1166 60.1152 38.3973 -22.0302 TIMING: 4493000 CPU: 14206.9, 0.00312412/step Wall: 14206.9, 0.00312412/step, 0.43998 hours remaining, 235.328125 MB of memory in use. ENERGY: 4493000 3934.6227 20613.4897 14508.3433 252.0939 -203787.7012 2902.3900 0.0000 0.0000 52315.2630 -109261.4986 300.6565 -161576.7616 -108887.2226 299.7808 169.6245 198.3593 760068.5088 -5.0136 -5.1323 PRESSURE: 4493200 -451.063 -124.775 4.40386 -124.774 21.7273 60.3808 4.40387 60.3808 -119.164 GPRESSURE: 4493200 -311.426 -24.6638 -40.435 -71.4152 -18.5295 22.6797 -106.82 160.633 -111.913 PRESSAVG: 4493200 -42.178 -9.80235 -18.8707 -9.80233 45.9559 18.9715 -18.8706 18.9714 16.6415 GPRESSAVG: 4493200 -42.336 -10.6435 -18.3086 -7.975 45.6931 21.1268 -19.9347 17.4953 17.483 TIMING: 4493200 CPU: 14207.5, 0.00314574/step Wall: 14207.5, 0.00314574/step, 0.442851 hours remaining, 235.328125 MB of memory in use. ENERGY: 4493200 4036.2759 20782.6932 14513.3548 246.6143 -203100.9990 2228.4263 0.0000 0.0000 51991.6272 -109302.0072 298.7966 -161293.6344 -108933.4778 299.5306 -182.8332 -147.2893 761646.8695 6.8065 6.9467 PRESSURE: 4493400 -69.3326 17.1694 122.387 17.1702 186.69 6.38721 122.387 6.38692 197.967 GPRESSURE: 4493400 -71.3636 -29.6385 85.9199 -36.7675 165.402 95.1249 184.607 -19.5822 302.894 PRESSAVG: 4493400 -12.9684 -38.0122 -16.5906 -38.0123 19.4364 32.9255 -16.5906 32.9255 2.86708 GPRESSAVG: 4493400 -13.4428 -36.625 -15.8592 -40.5879 19.4926 33.3976 -15.1672 33.3762 3.74482 TIMING: 4493400 CPU: 14208.1, 0.00314009/step Wall: 14208.1, 0.00314009/step, 0.441881 hours remaining, 235.328125 MB of memory in use. ENERGY: 4493400 3972.3242 20608.1088 14444.2856 230.2276 -203093.1881 2384.2063 0.0000 0.0000 52167.2839 -109286.7516 299.8061 -161454.0355 -108922.4163 299.6193 105.1083 132.3108 760833.8025 3.1117 3.2649 PRESSURE: 4493600 -315.622 -274.462 -82.5938 -274.462 -6.84894 144.187 -82.593 144.186 -399.848 GPRESSURE: 4493600 -270.766 -263.895 -87.887 -150.379 -72.908 150.888 8.56016 120.976 -308.204 PRESSAVG: 4493600 -9.63136 -35.3666 -27.2341 -35.3665 -1.78052 18.797 -27.2341 18.7969 -5.35091 GPRESSAVG: 4493600 -8.54225 -34.2336 -29.4217 -36.3763 -3.77748 19.4564 -26.2228 17.9232 -4.88481 TIMING: 4493600 CPU: 14208.7, 0.00314573/step Wall: 14208.7, 0.00314573/step, 0.442499 hours remaining, 235.328125 MB of memory in use. ENERGY: 4493600 4048.7481 20547.6447 14524.2978 223.9316 -203051.9363 2461.9010 0.0000 0.0000 51948.6588 -109296.7544 298.5497 -161245.4132 -108936.3483 299.3361 -240.7727 -217.2928 761919.1887 -5.5876 -5.7348 PRESSURE: 4493800 134.262 -226.673 120.598 -226.673 -282.641 -54.1634 120.598 -54.1633 165.891 GPRESSURE: 4493800 193.462 -92.3867 176.754 -117.71 -125.888 -74.7497 68.6889 -109.968 38.0285 PRESSAVG: 4493800 -25.4157 -21.3018 13.9519 -21.3019 20.6678 26.6014 13.9519 26.6015 1.22333 GPRESSAVG: 4493800 -26.8205 -20.8679 15.4342 -21.5146 22.8563 25.0484 10.9299 27.8805 -0.168356 TIMING: 4493800 CPU: 14209.4, 0.00315349/step Wall: 14209.4, 0.00315349/step, 0.443415 hours remaining, 235.328125 MB of memory in use. ENERGY: 4493800 4044.9025 20429.6628 14557.3080 233.4956 -203575.9567 2871.8935 0.0000 0.0000 52087.2126 -109351.4818 299.3459 -161438.6944 -108988.9156 299.3017 5.8375 35.2009 760996.4710 -1.1749 -1.3775 PRESSURE: 4494000 -326.315 78.7058 88.943 78.7062 237.952 105.877 88.9432 105.877 -286.592 GPRESSURE: 4494000 -255.309 113.236 118.894 101.615 286.614 125.294 87.0046 -9.37434 -315.27 PRESSAVG: 4494000 9.48843 -34.4706 -11.4837 -34.4705 -9.27277 38.3555 -11.4838 38.3555 -8.51351 GPRESSAVG: 4494000 9.96981 -37.1097 -9.11923 -33.2632 -10.7106 39.3873 -9.84365 38.576 -7.15565 TIMING: 4494000 CPU: 14210, 0.00316397/step Wall: 14210, 0.00316397/step, 0.444714 hours remaining, 235.328125 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: 4494000 4015.2598 20625.3246 14440.5578 242.3991 -203460.7739 2594.1308 0.0000 0.0000 52321.0621 -109222.0397 300.6899 -161543.1018 -108859.6087 299.7322 -124.9848 -94.6550 760971.0168 -2.7660 -2.6322 PRESSURE: 4494200 -400.735 -86.239 214.71 -86.2389 -487.093 2.68283 214.71 2.68217 -59.6008 GPRESSURE: 4494200 -449.155 -23.8733 211.649 53.0719 -382.037 -46.5281 95.302 -15.0159 -22.6819 PRESSAVG: 4494200 -67.6562 23.6125 -27.9162 23.6125 59.4333 38.2479 -27.9162 38.2479 15.3813 GPRESSAVG: 4494200 -67.3241 24.2761 -29.9078 23.5968 60.8992 37.1538 -28.7421 38.2066 14.0846 TIMING: 4494200 CPU: 14210.6, 0.00315247/step Wall: 14210.6, 0.00315247/step, 0.442922 hours remaining, 235.328125 MB of memory in use. ENERGY: 4494200 4052.9517 20457.8484 14504.8179 251.7885 -203253.2370 2402.0988 0.0000 0.0000 52168.7510 -109414.9808 299.8145 -161583.7318 -109048.8640 299.2789 -315.8096 -284.6245 761341.2584 2.3861 2.5533 PRESSURE: 4494400 132.888 -142.259 -290.929 -142.259 -46.1697 90.682 -290.929 90.6808 -347.967 GPRESSURE: 4494400 181.972 -39.6248 -283.95 -63.3552 40.5437 173.935 -152.663 26.4555 -400.961 PRESSAVG: 4494400 -43.1338 -50.67 25.743 -50.6699 41.9718 29.7992 25.7431 29.7992 -49.0484 GPRESSAVG: 4494400 -42.8775 -50.8333 25.5233 -48.1924 40.1043 30.7674 27.3456 27.1861 -47.8001 TIMING: 4494400 CPU: 14211.3, 0.00315803/step Wall: 14211.3, 0.00315803/step, 0.443527 hours remaining, 235.328125 MB of memory in use. ENERGY: 4494400 3985.8605 20370.8169 14562.7660 258.4691 -203330.4012 2564.4108 0.0000 0.0000 52294.5782 -109293.4996 300.5377 -161588.0778 -108918.4676 299.6622 -87.0831 -59.4817 760932.8248 -16.7368 -16.8578 PRESSURE: 4494600 186.053 93.0321 100.201 93.0323 188.491 -95.0511 100.201 -95.0511 -253.022 GPRESSURE: 4494600 180.915 -13.0859 77.1016 111.781 156.584 -68.884 120.647 -54.2492 -127.764 PRESSAVG: 4494600 -45.2766 -8.42212 -5.529 -8.42216 62.2247 -7.7497 -5.52892 -7.74976 25.5241 GPRESSAVG: 4494600 -44.7398 -7.14514 -5.04194 -10.9832 63.5737 -8.25557 -7.39396 -6.18553 23.6503 TIMING: 4494600 CPU: 14211.9, 0.00315407/step Wall: 14211.9, 0.00315407/step, 0.442796 hours remaining, 235.328125 MB of memory in use. ENERGY: 4494600 4012.1436 20631.9088 14535.2316 256.8532 -203395.5981 2491.3991 0.0000 0.0000 52112.7484 -109355.3133 299.4927 -161468.0617 -108994.1664 299.7130 40.5074 69.9116 759195.7634 14.1574 14.1614 PRESSURE: 4494800 86.7282 34.4875 -170.857 34.4868 -30.4144 16.6065 -170.856 16.6066 -15.2141 GPRESSURE: 4494800 52.0997 44.304 -172.492 138.84 35.4018 -69.436 -175.077 96.8352 58.1083 PRESSAVG: 4494800 -91.4766 -36.7369 -10.4132 -36.7369 96.218 2.4465 -10.4133 2.44648 -7.81449 GPRESSAVG: 4494800 -91.8132 -37.2196 -9.50951 -35.6256 95.532 2.52287 -10.7513 4.3487 -6.52807 TIMING: 4494800 CPU: 14212.5, 0.00316112/step Wall: 14212.5, 0.00316112/step, 0.44361 hours remaining, 235.328125 MB of memory in use. ENERGY: 4494800 4044.4388 20553.9291 14442.3173 252.1792 -203707.9430 2912.4152 0.0000 0.0000 52137.2987 -109365.3647 299.6338 -161502.6634 -109002.6809 299.4975 13.6999 48.5366 760815.9254 -1.0244 -0.9364 PRESSURE: 4495000 281.234 -199.26 -93.3834 -199.26 -5.33909 -45.6352 -93.3838 -45.6344 472.841 GPRESSURE: 4495000 299.389 -98.7034 -48.5512 -195.982 5.62908 -59.0171 -112.038 -15.6371 534.687 PRESSAVG: 4495000 -18.3197 -14.2451 -16.2804 -14.2451 15.3756 15.486 -16.2804 15.486 1.76027 GPRESSAVG: 4495000 -18.2398 -14.8173 -16.3973 -15.9427 16.0407 15.601 -16.5724 15.2798 0.629924 TIMING: 4495000 CPU: 14213.2, 0.00316005/step Wall: 14213.2, 0.00316005/step, 0.443285 hours remaining, 235.328125 MB of memory in use. ENERGY: 4495000 4033.7133 20477.7064 14517.8929 235.6892 -203622.8156 2757.3252 0.0000 0.0000 52103.6652 -109496.8234 299.4405 -161600.4887 -109144.7742 299.4348 249.5787 279.9018 758918.0640 -0.3946 -0.5230 PRESSURE: 4495200 -223.787 26.9308 164.915 26.9313 -197.392 95.4127 164.915 95.4115 206.968 GPRESSURE: 4495200 -180.507 -86.4488 145.002 55.3953 -139.783 134.886 195.767 -20.3099 189.017 PRESSAVG: 4495200 27.3456 -54.4766 -15.0391 -54.4765 -33.4748 43.3385 -15.0392 43.3386 -3.66833 GPRESSAVG: 4495200 27.0101 -54.9119 -15.5241 -54.609 -33.8219 43.7192 -14.3963 44.1459 -3.13675 TIMING: 4495200 CPU: 14213.8, 0.00314765/step Wall: 14213.8, 0.00314765/step, 0.44137 hours remaining, 235.328125 MB of memory in use. ENERGY: 4495200 3993.1861 20496.3286 14506.4393 254.5600 -202962.2092 2440.8334 0.0000 0.0000 51962.9452 -109307.9166 298.6318 -161270.8618 -108953.0922 299.4939 -71.4036 -43.7575 761564.8261 -3.2658 -3.3162 PRESSURE: 4495400 -145.114 -75.4875 -24.4792 -75.4878 267.042 -68.6105 -24.4791 -68.61 42.8243 GPRESSURE: 4495400 -130.926 -45.829 -7.95323 -106.998 333.927 2.53734 -30.2164 -27.6983 62.3465 PRESSAVG: 4495400 -1.01946 6.88565 -37.7821 6.88565 3.05218 34.4491 -37.7821 34.4491 -7.61252 GPRESSAVG: 4495400 -0.121093 5.43191 -38.4357 8.33369 2.75681 34.1145 -36.523 33.1571 -8.21582 TIMING: 4495400 CPU: 14214.4, 0.00313837/step Wall: 14214.4, 0.00313837/step, 0.439895 hours remaining, 235.328125 MB of memory in use. ENERGY: 4495400 3991.9303 20531.2144 14621.7911 246.7102 -202806.3892 2265.0880 0.0000 0.0000 51946.8718 -109202.7834 298.5394 -161149.6552 -108849.9016 299.6909 54.9176 88.4489 759931.7030 -1.8599 -1.8600 PRESSURE: 4495600 -247.5 71.9046 -73.9255 71.903 158.526 73.7578 -73.9264 73.7581 -158.702 GPRESSURE: 4495600 -189.919 -38.7019 -119.887 97.224 187.671 68.5656 -0.387001 85.7465 -155.773 PRESSAVG: 4495600 -8.6597 -39.2187 -11.7879 -39.2187 -13.6454 45.1164 -11.7879 45.1164 5.07911 GPRESSAVG: 4495600 -10.1331 -37.4856 -12.2004 -40.9507 -12.214 45.2591 -11.4445 43.5733 5.17104 TIMING: 4495600 CPU: 14215, 0.00312923/step Wall: 14215, 0.00312923/step, 0.43844 hours remaining, 235.328125 MB of memory in use. ENERGY: 4495600 3986.9939 20606.6534 14476.0724 241.2673 -203071.4090 2421.5181 0.0000 0.0000 52304.1558 -109034.7483 300.5927 -161338.9040 -108657.1052 299.7807 -82.5587 -52.6736 760832.2269 -5.7420 -5.7254 PRESSURE: 4495800 -190.891 99.5908 170.121 99.5916 -224.751 266.465 170.121 266.465 19.2326 GPRESSURE: 4495800 -145.188 79.8707 113.345 37.5326 -166.983 165.837 235.161 247.201 -9.20082 PRESSAVG: 4495800 4.60965 -74.158 36.7453 -74.1579 5.8479 -21.7731 36.7453 -21.773 9.24251 GPRESSAVG: 4495800 5.98164 -73.7714 39.0522 -72.4129 3.37947 -22.3323 35.7103 -19.1452 9.67838 TIMING: 4495800 CPU: 14215.7, 0.00314487/step Wall: 14215.7, 0.00314487/step, 0.440457 hours remaining, 235.328125 MB of memory in use. ENERGY: 4495800 3998.9927 20537.1428 14530.9762 246.8373 -202849.8167 2229.9828 0.0000 0.0000 52144.0416 -109161.8433 299.6725 -161305.8849 -108791.2801 299.9126 -132.1366 -107.1238 761864.2938 6.5667 6.3465 PRESSURE: 4496000 138.89 257.734 103.894 257.734 85.1139 -65.3719 103.893 -65.3724 -35.117 GPRESSURE: 4496000 157.153 219.228 72.6029 182.091 148.58 -46.6651 98.1371 -6.76241 -20.3649 PRESSAVG: 4496000 -50.4328 10.0379 -7.86665 10.0378 12.3716 -17.6948 -7.86667 -17.6949 0.944192 GPRESSAVG: 4496000 -52.221 10.1582 -7.77428 9.80775 15.6596 -16.3406 -6.18203 -17.5412 -0.660296 TIMING: 4496000 CPU: 14216.3, 0.00314699/step Wall: 14216.3, 0.00314699/step, 0.440578 hours remaining, 235.328125 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: 4496000 3938.1536 20732.6983 14446.2417 232.4234 -202948.7121 2499.5413 0.0000 0.0000 51976.7661 -109122.8878 298.7112 -161099.6539 -108771.7822 299.5888 62.9622 95.1230 763191.4758 -12.3723 -12.4072 PRESSURE: 4496200 -275.095 -284.308 -83.1022 -284.308 209.887 54.6362 -83.1024 54.6362 389.791 GPRESSURE: 4496200 -169.358 -302.725 -41.6006 -196.383 138.122 -46.0066 -73.9067 4.34377 433.527 PRESSAVG: 4496200 18.6342 -39.5097 -40.6365 -39.5097 -42.2418 64.0456 -40.6365 64.0456 1.48523 GPRESSAVG: 4496200 19.4849 -40.7375 -43.3709 -39.4824 -45.076 60.5745 -40.5503 63.2293 3.33285 TIMING: 4496200 CPU: 14216.9, 0.003154/step Wall: 14216.9, 0.003154/step, 0.441385 hours remaining, 235.328125 MB of memory in use. ENERGY: 4496200 3998.1064 20346.7019 14452.6602 242.9972 -203509.0964 3087.3081 0.0000 0.0000 52071.3922 -109309.9304 299.2550 -161381.3226 -108948.2245 299.6578 108.1941 134.0969 762432.4889 -7.3741 -7.4194 LDB: ============= START OF LOAD BALANCING ============== 14229.5 LDB: ============== END OF LOAD BALANCING =============== 14229.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14229.5 LDB: ============= START OF LOAD BALANCING ============== 14229.8 LDB: Largest compute 7078 load 0.034895 is 17.8% of average load 0.195618 LDB: Average compute 0.004388 is 2.2% of average load 0.195618 LDB: TIME 14229.8 LOAD: AVG 0.195618 MAX 0.214551 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.121 MB LDB: TIME 14229.8 LOAD: AVG 0.195618 MAX 0.214551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: TIME 14229.8 LOAD: AVG 0.195618 MAX 0.214551 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.324 MB LDB: ============== END OF LOAD BALANCING =============== 14229.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14229.8 PRESSURE: 4496400 -205.511 5.27634 144.046 5.27535 -149.605 152.724 144.047 152.724 -182.368 GPRESSURE: 4496400 -34.888 -55.1077 98.9911 -23.2879 -118.199 109.542 301.794 210.266 -282.291 PRESSAVG: 4496400 -47.4214 -53.7466 40.933 -53.7466 20.5536 55.3601 40.9331 55.3602 11.3937 GPRESSAVG: 4496400 -46.935 -52.5155 41.296 -54.1773 21.4801 56.3672 40.7834 52.4366 9.63252 TIMING: 4496400 CPU: 14217.6, 0.00321018/step Wall: 14217.6, 0.00321018/step, 0.449069 hours remaining, 236.164062 MB of memory in use. ENERGY: 4496400 3965.2974 20311.0553 14458.5732 239.7761 -203132.9050 2558.5547 0.0000 0.0000 52081.2768 -109518.3716 299.3118 -161599.6484 -109157.0528 298.8970 -179.1611 -145.1257 761688.8937 -5.1580 -5.2741 PRESSURE: 4496600 151.346 307.287 -30.6274 307.287 270.056 -66.4867 -30.6273 -66.4858 461.049 GPRESSURE: 4496600 190.963 318.363 25.6482 200.601 230.861 36.7285 -64.9177 -94.6123 559.146 PRESSAVG: 4496600 -41.5681 19.791 -26.7702 19.791 54.0678 -50.2953 -26.7703 -50.2954 -15.1547 GPRESSAVG: 4496600 -42.4212 21.1031 -26.8234 20.1997 54.6214 -48.828 -25.7876 -47.6291 -13.9909 TIMING: 4496600 CPU: 14218.2, 0.00314284/step Wall: 14218.2, 0.00314284/step, 0.439474 hours remaining, 236.183594 MB of memory in use. ENERGY: 4496600 3909.8474 20320.7713 14514.7774 250.1842 -203331.1787 2700.3206 0.0000 0.0000 51757.9446 -109877.3333 297.4536 -161635.2779 -109524.5440 298.4771 294.1504 326.9898 759901.0211 -0.8850 -0.5969 PRESSURE: 4496800 300.787 -193.045 67.5323 -193.045 364.675 -171.242 67.5324 -171.242 -74.4258 GPRESSURE: 4496800 404.292 -218.487 142.691 -221.587 366.49 -225.587 146.239 -155.834 -79.9301 PRESSAVG: 4496800 11.1863 44.9664 36.7144 44.9665 -2.35919 -41.1649 36.7144 -41.1649 -32.6803 GPRESSAVG: 4496800 11.8211 43.5564 38.7931 47.2608 -2.23546 -41.9165 34.2954 -40.5904 -33.0219 TIMING: 4496800 CPU: 14218.8, 0.00315283/step Wall: 14218.8, 0.00315283/step, 0.440695 hours remaining, 236.644531 MB of memory in use. ENERGY: 4496800 3900.5620 20423.6447 14456.8730 230.7863 -203801.4745 2943.2630 0.0000 0.0000 51776.4112 -110069.9343 297.5597 -161846.3455 -109709.2445 297.4507 197.0122 230.2841 761463.8772 -7.9511 -7.8121 PRESSURE: 4497000 -61.2616 162.309 -93.2192 162.308 -133.571 148.078 -93.2197 148.078 -165.868 GPRESSURE: 4497000 24.8529 156.031 -164.289 155.069 -153.646 185.879 -259.606 152.021 -137.117 PRESSAVG: 4497000 1.06514 -10.1158 7.911 -10.1158 17.669 6.58458 7.91097 6.58454 10.3388 GPRESSAVG: 4497000 1.75373 -7.69086 6.83111 -11.1105 16.8588 6.84481 9.16548 4.65468 10.4732 TIMING: 4497000 CPU: 14219.5, 0.00313725/step Wall: 14219.5, 0.00313725/step, 0.438343 hours remaining, 236.644531 MB of memory in use. ENERGY: 4497000 3897.6689 20497.0277 14466.1255 247.5053 -203491.0243 2657.0912 0.0000 0.0000 51881.1614 -109844.4442 298.1617 -161725.6056 -109480.6534 297.8684 -120.2334 -88.6365 762250.5172 9.6910 9.6952 PRESSURE: 4497200 -231.871 -180.124 66.0838 -180.123 84.9348 -42.1463 66.0831 -42.1469 84.5488 GPRESSURE: 4497200 -251.225 -180.248 74.0388 -196.971 184.96 -77.3149 191.371 12.8571 100.178 PRESSAVG: 4497200 13.9199 -22.6556 19.8262 -22.6555 -38.6621 -10.9154 19.8263 -10.9155 8.9825 GPRESSAVG: 4497200 11.0484 -22.7589 18.5474 -23.071 -36.3396 -11.2568 20.7651 -9.49762 9.20174 TIMING: 4497200 CPU: 14220.1, 0.00312803/step Wall: 14220.1, 0.00312803/step, 0.436881 hours remaining, 236.644531 MB of memory in use. ENERGY: 4497200 3960.0028 20401.0593 14503.5917 264.3886 -203359.3789 2456.4316 0.0000 0.0000 52109.4141 -109664.4907 299.4735 -161773.9048 -109294.7267 299.0033 -20.7959 11.3043 760837.0334 -5.2532 -5.3631 PRESSURE: 4497400 214.753 24.5386 -133.816 24.5398 -65.0077 61.258 -133.816 61.2576 321.272 GPRESSURE: 4497400 168.278 -21.036 -153.794 -5.23718 21.7238 62.4194 -147.675 -40.4232 337.032 PRESSAVG: 4497400 8.71487 -49.8322 13.8692 -49.8322 37.611 -7.31193 13.8693 -7.31194 1.07981 GPRESSAVG: 4497400 10.4326 -51.1463 15.3441 -48.7441 36.8501 -7.2418 12.5711 -8.75777 0.494353 TIMING: 4497400 CPU: 14220.7, 0.00314077/step Wall: 14220.7, 0.00314077/step, 0.438486 hours remaining, 236.644531 MB of memory in use. ENERGY: 4497400 3995.3280 20567.2904 14508.9272 254.0557 -203621.0808 2656.1724 0.0000 0.0000 52071.2020 -109568.1051 299.2539 -161639.3071 -109199.8351 298.9126 157.0058 175.6779 760702.1266 15.8019 15.9257 PRESSURE: 4497600 -138.563 -162.072 29.0774 -162.071 202.944 190.47 29.0783 190.469 -11.1413 GPRESSURE: 4497600 -23.4347 -140.763 14.8264 0.996685 120.699 180.069 100.784 97.4966 15.5742 PRESSAVG: 4497600 21.4241 -39.3676 -23.7037 -39.3676 -77.9861 1.08876 -23.7038 1.08878 -11.9381 GPRESSAVG: 4497600 21.965 -39.116 -24.3165 -41.3295 -80.1725 0.168969 -23.0935 0.816103 -10.5896 TIMING: 4497600 CPU: 14221.3, 0.00313/step Wall: 14221.3, 0.00313/step, 0.436809 hours remaining, 236.644531 MB of memory in use. ENERGY: 4497600 3957.2858 20490.0128 14488.0870 248.2256 -203405.7848 2498.8586 0.0000 0.0000 52095.3221 -109627.9927 299.3925 -161723.3148 -109263.2144 299.0711 17.7467 37.6127 760742.3907 -22.8334 -22.9324 PRESSURE: 4497800 -102.942 -57.1546 112.228 -57.1544 -484.778 -161.538 112.227 -161.538 -215.274 GPRESSURE: 4497800 -122.878 -50.3704 167.665 -121.987 -391.97 -140.097 39.0707 -152.6 -182.267 PRESSAVG: 4497800 -18.5494 -13.2646 -19.4836 -13.2646 13.9871 -21.5067 -19.4836 -21.5068 14.103 GPRESSAVG: 4497800 -18.5844 -14.0311 -20.0104 -12.0233 15.2956 -20.6109 -21.5567 -19.4204 13.0094 TIMING: 4497800 CPU: 14222, 0.00313735/step Wall: 14222, 0.00313735/step, 0.43766 hours remaining, 236.714844 MB of memory in use. ENERGY: 4497800 3923.5776 20468.6941 14471.8892 250.2735 -203541.3851 2701.9997 0.0000 0.0000 51965.5066 -109759.4444 298.6465 -161724.9510 -109394.9967 298.8601 -267.6646 -232.3716 762315.0663 3.1802 3.2402 PRESSURE: 4498000 252.971 129.005 83.05 129.005 294.907 57.748 83.0497 57.7488 527.906 GPRESSURE: 4498000 321.737 139.39 34.6227 195.213 238.344 -6.20014 166.801 -1.77387 606.632 PRESSAVG: 4498000 11.738 -25.5306 -7.87154 -25.5306 -22.6915 -18.2196 -7.8715 -18.2196 -1.12407 GPRESSAVG: 4498000 12.2788 -27.1442 -6.90197 -24.6919 -23.1414 -18.784 -6.24395 -19.833 -1.44757 TIMING: 4498000 CPU: 14222.6, 0.00312656/step Wall: 14222.6, 0.00312656/step, 0.435981 hours remaining, 236.714844 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: 4498000 4021.7619 20534.6098 14405.5398 220.5671 -203997.0695 3116.5487 0.0000 0.0000 52134.7830 -109563.2592 299.6193 -161698.0421 -109218.6479 299.0010 358.5944 388.9042 761783.3931 -4.0259 -4.1034 PRESSURE: 4498200 -161.154 252.171 -43.8053 252.172 -272.66 32.2655 -43.8055 32.2659 249.105 GPRESSURE: 4498200 -149.909 176.422 -54.9177 91.7247 -166.473 14.666 -37.7238 50.4537 213.984 PRESSAVG: 4498200 29.3375 10.1789 -22.9078 10.1789 -8.01218 -30.7657 -22.9077 -30.7657 5.5204 GPRESSAVG: 4498200 26.6348 10.8135 -23.0934 7.58536 -6.36242 -30.2823 -25.2401 -32.0914 6.55635 TIMING: 4498200 CPU: 14223.2, 0.00313234/step Wall: 14223.2, 0.00313234/step, 0.436613 hours remaining, 236.714844 MB of memory in use. ENERGY: 4498200 3969.9845 20581.7488 14403.7492 244.4372 -203617.0678 2724.2482 0.0000 0.0000 52033.6887 -109659.2113 299.0383 -161692.9000 -109294.2869 299.1847 -61.5696 -34.1326 760297.2182 8.9486 8.9429 PRESSURE: 4498400 96.2633 96.9226 -114.575 96.9229 -64.1105 -29.207 -114.575 -29.207 -175.713 GPRESSURE: 4498400 124.882 108.737 -58.6948 -12.8664 -149.502 67.6492 -110.422 118.187 -44.1851 PRESSAVG: 4498400 18.7367 -51.5194 -20.6229 -51.5193 -16.1418 -15.1231 -20.6229 -15.1232 16.8505 GPRESSAVG: 4498400 20.2104 -49.6985 -20.0253 -50.4577 -17.3886 -14.0122 -19.7375 -13.9254 17.463 TIMING: 4498400 CPU: 14223.9, 0.00314664/step Wall: 14223.9, 0.00314664/step, 0.438431 hours remaining, 236.714844 MB of memory in use. ENERGY: 4498400 3925.7832 20477.1714 14463.7078 241.4582 -203749.0244 2770.8722 0.0000 0.0000 51985.5114 -109884.5202 298.7614 -161870.0316 -109528.4464 298.8734 -47.8535 -22.9349 759767.6933 6.4818 6.7616 PRESSURE: 4498600 -292.215 -68.3027 72.1638 -68.3029 69.4381 162.523 72.1632 162.522 -657.328 GPRESSURE: 4498600 -305.682 5.59184 43.8225 15.2398 171.633 175.944 234.839 269.51 -669.623 PRESSAVG: 4498600 0.699296 -11.5953 -16.5552 -11.5953 33.815 8.43922 -16.5552 8.43917 -37.4986 GPRESSAVG: 4498600 -0.00434459 -12.734 -17.5675 -11.0666 34.6181 8.05032 -14.6266 8.73314 -37.7485 TIMING: 4498600 CPU: 14224.5, 0.003155/step Wall: 14224.5, 0.003155/step, 0.439421 hours remaining, 236.714844 MB of memory in use. ENERGY: 4498600 3988.4012 20587.3742 14545.0685 231.1402 -203323.6390 2325.4301 0.0000 0.0000 51827.2046 -109819.0203 297.8517 -161646.2249 -109463.0573 298.1518 -293.3682 -267.8904 760629.8425 -0.9948 -1.0449 PRESSURE: 4498800 -173.201 -143.81 22.5772 -143.811 -169.977 -136.6 22.5775 -136.6 197.476 GPRESSURE: 4498800 -130.547 -186.46 -1.19311 -181.732 -157.149 -219.246 213.221 -231.052 223.957 PRESSAVG: 4498800 -2.73491 -29.8863 20.5131 -29.8863 -13.6197 -35.1266 20.513 -35.1265 16.4774 GPRESSAVG: 4498800 -2.65103 -29.0973 20.3595 -31.0321 -13.6626 -35.6456 18.5031 -33.5689 16.4414 TIMING: 4498800 CPU: 14225.1, 0.0031361/step Wall: 14225.1, 0.0031361/step, 0.436614 hours remaining, 236.714844 MB of memory in use. ENERGY: 4498800 3987.1382 20497.5893 14496.6707 252.2349 -203348.9397 2498.5496 0.0000 0.0000 52093.2362 -109523.5207 299.3805 -161616.7569 -109152.9194 298.7280 -48.5672 -21.2465 762698.6591 0.0409 0.0426 PRESSURE: 4499000 -66.8112 -66.4785 12.4837 -66.4778 -86.5444 173.309 12.4832 173.31 -66.0988 GPRESSURE: 4499000 -34.4825 -95.617 59.8144 5.69727 -25.626 128.64 -6.91132 4.6041 -70.6188 PRESSAVG: 4499000 -11.7594 -42.5211 28.0699 -42.5211 21.9546 31.496 28.07 31.4961 -1.30772 GPRESSAVG: 4499000 -11.5576 -42.5521 30.0357 -41.8852 21.8199 31.169 27.8913 29.0528 -1.58468 TIMING: 4499000 CPU: 14225.7, 0.00313967/step Wall: 14225.7, 0.00313967/step, 0.436938 hours remaining, 236.714844 MB of memory in use. ENERGY: 4499000 4058.8885 20496.4328 14478.4836 258.2005 -203326.8585 2693.9028 0.0000 0.0000 52070.8668 -109270.0834 299.2520 -161340.9503 -108914.0385 299.3830 -73.1515 -43.5758 760719.5912 2.9625 2.8925 PRESSURE: 4499200 140.104 201.082 -8.88288 201.083 33.3098 -117.245 -8.88324 -117.245 -42.1247 GPRESSURE: 4499200 31.8605 164.876 93.0848 252.846 123.113 -54.6017 -47.7263 -27.1239 60.8912 PRESSAVG: 4499200 -17.2552 -40.7638 16.8617 -40.7639 43.9192 -19.0371 16.8617 -19.0371 6.38103 GPRESSAVG: 4499200 -15.5896 -41.1676 16.3715 -39.6043 42.8676 -19.2392 18.5597 -17.8788 6.1449 TIMING: 4499200 CPU: 14226.4, 0.00314255/step Wall: 14226.4, 0.00314255/step, 0.437164 hours remaining, 236.714844 MB of memory in use. ENERGY: 4499200 4029.3188 20392.3140 14495.5644 254.3539 -203618.2212 2800.1769 0.0000 0.0000 51955.5584 -109690.9349 298.5893 -161646.4933 -109331.9140 299.1255 43.7630 71.9550 761132.1719 11.0150 11.1410 PRESSURE: 4499400 103.15 -153.275 128.287 -153.276 -45.7023 108.946 128.287 108.946 -9.14894 GPRESSURE: 4499400 115.181 -64.9864 100.873 -47.9816 47.678 117.11 120.072 49.3442 -46.2847 PRESSAVG: 4499400 -31.2314 -4.76737 6.35058 -4.76736 46.8148 33.4532 6.35058 33.4532 2.45377 GPRESSAVG: 4499400 -32.6811 -3.35799 4.776 -5.216 48.1894 33.2177 6.41091 32.7432 2.17375 TIMING: 4499400 CPU: 14227, 0.00315537/step Wall: 14227, 0.00315537/step, 0.438772 hours remaining, 236.714844 MB of memory in use. ENERGY: 4499400 4049.5811 20449.8597 14548.2464 261.8561 -203360.8085 2629.4206 0.0000 0.0000 51852.0496 -109569.7950 297.9944 -161421.8447 -109215.5008 298.4290 16.0995 38.8580 760301.4667 6.0124 5.8940 PRESSURE: 4499600 127.497 -4.69831 34.8543 -4.69698 -253.056 -27.5449 34.8543 -27.5457 -295.963 GPRESSURE: 4499600 133.898 105.97 112.657 -85.8451 -252.013 -29.0208 77.0034 -116.853 -215.897 PRESSAVG: 4499600 10.0397 -8.88593 51.957 -8.88585 -3.60067 26.8488 51.9569 26.8488 -2.01689 GPRESSAVG: 4499600 12.1025 -10.0345 53.0858 -8.44012 -5.21729 26.0665 50.5878 27.9261 -2.17031 TIMING: 4499600 CPU: 14227.6, 0.00318736/step Wall: 14227.6, 0.00318736/step, 0.443043 hours remaining, 236.714844 MB of memory in use. ENERGY: 4499600 4086.7320 20379.2183 14491.5464 241.8705 -202516.1631 2173.4396 0.0000 0.0000 51898.9280 -109244.4284 298.2639 -161143.3564 -108882.5584 298.9480 -140.5071 -111.3371 762057.7823 1.4741 1.5716 PRESSURE: 4499800 -56.1039 -109.525 -0.972127 -109.525 -235.055 57.3628 -0.973023 57.3615 173.75 GPRESSURE: 4499800 -44.119 -209.069 -25.8327 -51.9301 -141.92 76.5831 -101.777 13.3203 174.154 PRESSAVG: 4499800 16.0882 -56.665 31.9002 -56.665 18.6389 35.0006 31.9002 35.0006 -5.75622 GPRESSAVG: 4499800 14.9579 -57.9827 33.3297 -58.3483 20.1318 37.2373 31.5342 33.5289 -6.33359 TIMING: 4499800 CPU: 14228.3, 0.00319576/step Wall: 14228.3, 0.00319576/step, 0.444034 hours remaining, 236.714844 MB of memory in use. ENERGY: 4499800 4035.0616 20546.0238 14457.3761 271.8317 -203537.0826 2898.4537 0.0000 0.0000 52083.2234 -109245.1122 299.3230 -161328.3357 -108884.4775 299.4333 -39.1363 -3.9617 761576.1246 9.6570 9.5854 PRESSURE: 4500000 37.3699 40.7076 104.408 40.7076 -338.005 -178.401 104.408 -178.4 37.8245 GPRESSURE: 4500000 -29.9393 96.6548 56.6768 -30.4841 -229.071 -203.266 163.963 56.0726 72.7426 PRESSAVG: 4500000 -29.0657 -51.043 51.3405 -51.043 20.3135 9.21864 51.3404 9.21863 8.65345 GPRESSAVG: 4500000 -29.4159 -49.3828 49.997 -51.4489 20.0504 7.99458 51.0836 11.3835 9.19601 TIMING: 4500000 CPU: 14228.9, 0.00316865/step Wall: 14228.9, 0.00316865/step, 0.44009 hours remaining, 236.714844 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: 4500000 4051.4046 20566.2722 14445.1307 260.5609 -203322.6914 2727.4231 0.0000 0.0000 52102.5376 -109169.3621 299.4340 -161271.8998 -108801.8644 299.3084 -87.6034 -62.0893 762655.4450 -0.0329 -0.0565 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING COORDINATES TO DCD FILE MD.1.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 18.5269 79.0488 114.329 79.0486 12.0098 82.2089 114.327 82.2088 167.464 GPRESSURE: 4500200 189.395 143.59 232.947 56.9397 -11.7884 178.969 5.41607 142.489 93.0307 PRESSAVG: 4500200 -60.9795 -17.3685 41.6652 -17.3685 33.9504 -25.3333 41.6652 -25.3332 22.1709 GPRESSAVG: 4500200 -60.1464 -16.8369 42.0135 -16.0478 34.6527 -24.6169 44.6391 -25.8878 20.5937 TIMING: 4500200 CPU: 14229.6, 0.00326686/step Wall: 14229.6, 0.00326686/step, 0.453549 hours remaining, 236.714844 MB of memory in use. ENERGY: 4500200 3978.9157 20463.1552 14521.0703 247.8668 -202935.5962 2584.0703 0.0000 0.0000 51981.6987 -109158.8191 298.7395 -161140.5178 -108785.9955 299.4579 66.0001 90.2124 763818.2522 -1.6194 -1.6333 LDB: ============= START OF LOAD BALANCING ============== 14242.1 LDB: ============== END OF LOAD BALANCING =============== 14242.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14242.1 LDB: ============= START OF LOAD BALANCING ============== 14242.4 LDB: Largest compute 7078 load 0.034491 is 17.6% of average load 0.195653 LDB: Average compute 0.004380 is 2.2% of average load 0.195653 LDB: TIME 14242.4 LOAD: AVG 0.195653 MAX 0.216626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.422 MB LDB: TIME 14242.4 LOAD: AVG 0.195653 MAX 0.216626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.625 MB LDB: TIME 14242.4 LOAD: AVG 0.195653 MAX 0.216626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.625 MB LDB: ============== END OF LOAD BALANCING =============== 14242.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14242.4 PRESSURE: 4500400 136.689 35.525 72.7842 35.5253 197.758 298.389 72.7835 298.391 233.483 GPRESSURE: 4500400 176.79 -12.8107 42.0017 -26.8772 259.984 224.126 -48.6587 164.249 229.673 PRESSAVG: 4500400 -2.09508 -31.0266 3.58458 -31.0266 27.2798 0.453679 3.58462 0.453619 -8.102 GPRESSAVG: 4500400 -1.94589 -31.6913 2.81387 -30.8839 26.4169 2.33055 0.985947 -0.85311 -6.79902 TIMING: 4500400 CPU: 14230.2, 0.00321789/step Wall: 14230.2, 0.00321789/step, 0.446572 hours remaining, 234.746094 MB of memory in use. ENERGY: 4500400 4011.9426 20286.7422 14476.7336 260.0003 -203502.5677 2989.0924 0.0000 0.0000 52132.4583 -109345.5982 299.6060 -161478.0565 -108989.7865 299.3567 189.3100 222.1492 762656.9647 5.6942 5.8907 PRESSURE: 4500600 -134.649 -1.33545 94.0572 -1.33561 180.385 -107.995 94.0576 -107.996 -293.238 GPRESSURE: 4500600 -13.5536 -47.3162 100.556 23.1185 213.135 -97.5862 -6.51785 -113.782 -344.759 PRESSAVG: 4500600 8.34865 -37.7807 4.85494 -37.7807 -11.9778 2.84175 4.85495 2.84174 26.3658 GPRESSAVG: 4500600 7.13714 -37.338 4.39842 -39.7197 -12.0174 -0.198679 6.04756 4.99944 27.6031 TIMING: 4500600 CPU: 14230.8, 0.00315186/step Wall: 14230.8, 0.00315186/step, 0.437233 hours remaining, 234.746094 MB of memory in use. ENERGY: 4500600 4049.6174 20553.6554 14464.9952 229.1503 -203786.5984 2931.0432 0.0000 0.0000 52127.1733 -109430.9636 299.5756 -161558.1369 -109074.4429 299.2232 -82.5008 -48.3924 762150.7450 7.5789 7.5743 PRESSURE: 4500800 72.4569 -127.562 27.5935 -127.562 80.5541 -122.092 27.5935 -122.093 -252.352 GPRESSURE: 4500800 116.135 -114.707 -39.4418 -31.2145 12.8147 -104.021 -25.3869 -110.906 -168.241 PRESSAVG: 4500800 32.9852 -31.0961 -4.77087 -31.0961 -22.0883 30.7867 -4.7709 30.7868 3.16322 GPRESSAVG: 4500800 34.5594 -32.438 -4.00667 -28.7907 -23.5997 31.1961 -6.54005 30.9314 2.20245 TIMING: 4500800 CPU: 14231.5, 0.00315105/step Wall: 14231.5, 0.00315105/step, 0.436945 hours remaining, 234.746094 MB of memory in use. ENERGY: 4500800 4016.5656 20611.0154 14419.5246 244.3434 -203381.7813 2596.2912 0.0000 0.0000 51932.0027 -109562.0383 298.4539 -161494.0411 -109209.3992 299.2397 -33.1138 -13.0972 761236.2326 4.6867 4.3874 PRESSURE: 4501000 -284.955 24.6404 -65.1862 24.6409 -107.937 320.968 -65.186 320.968 215.002 GPRESSURE: 4501000 -195.81 -158.588 -37.4639 -38.9272 -191.255 162.444 16.2943 297.981 285.991 PRESSAVG: 4501000 22.1293 3.6281 25.3539 3.62814 16.7504 9.71281 25.3539 9.71287 -13.7242 GPRESSAVG: 4501000 21.2171 6.64692 24.8133 0.122822 17.7529 9.42079 28.8366 7.48954 -13.8335 TIMING: 4501000 CPU: 14232.1, 0.0031811/step Wall: 14232.1, 0.0031811/step, 0.440936 hours remaining, 234.746094 MB of memory in use. ENERGY: 4501000 4024.8440 20399.8965 14466.2381 240.3695 -203445.2503 2624.9105 0.0000 0.0000 52102.1017 -109586.8900 299.4315 -161688.9917 -109227.0764 298.8995 -59.2965 -33.6910 763539.4068 8.3852 8.3789 PRESSURE: 4501200 -232.902 18.8892 16.3163 18.8889 -26.6192 30.1405 16.3169 30.1395 -279.821 GPRESSURE: 4501200 -262.516 145.163 32.2789 94.1327 22.9507 8.32639 56.0733 77.1736 -201.232 PRESSAVG: 4501200 -24.9728 -11.4711 40.7377 -11.4711 2.57759 2.75626 40.7377 2.75632 -5.40547 GPRESSAVG: 4501200 -25.3352 -13.3367 40.5055 -8.88525 2.64241 5.81643 38.7487 3.12738 -5.91731 TIMING: 4501200 CPU: 14232.7, 0.00318318/step Wall: 14232.7, 0.00318318/step, 0.441048 hours remaining, 234.746094 MB of memory in use. ENERGY: 4501200 4021.4934 20465.4193 14466.9187 256.9473 -203868.8646 2822.3241 0.0000 0.0000 52285.1151 -109550.6466 300.4833 -161835.7617 -109186.4713 299.0431 -179.7809 -146.9324 762776.6648 -9.2669 -9.5367 PRESSURE: 4501400 -455.279 -110.065 -152.85 -110.065 191.33 83.12 -152.85 83.1207 -278.556 GPRESSURE: 4501400 -374.291 -97.9797 -134.807 -93.8866 178.055 101.136 -138.568 -43.2347 -269.578 PRESSAVG: 4501400 -49.4609 -47.9265 34.6043 -47.9264 97.3539 -13.7956 34.6043 -13.7957 14.0919 GPRESSAVG: 4501400 -49.5745 -48.685 35.381 -48.438 97.914 -15.1229 35.2689 -12.5747 14.231 TIMING: 4501400 CPU: 14233.4, 0.00316086/step Wall: 14233.4, 0.00316086/step, 0.437779 hours remaining, 234.746094 MB of memory in use. ENERGY: 4501400 4057.7976 20379.5349 14542.6324 249.7114 -203692.8327 2719.8404 0.0000 0.0000 52340.9920 -109402.3241 300.8044 -161743.3161 -109041.6081 299.7192 -180.8349 -155.2710 762262.3421 20.6616 20.8568 PRESSURE: 4501600 -253.444 8.42246 -179.814 8.42113 -31.6845 70.4593 -179.814 70.4605 -62.9283 GPRESSURE: 4501600 -265.994 81.1525 -168.089 -123.765 48.22 73.4549 -244.24 129.951 -42.65 PRESSAVG: 4501600 -36.8249 -71.7478 49.2868 -71.7478 36.2591 -31.4504 49.2868 -31.4504 -19.551 GPRESSAVG: 4501600 -37.9503 -69.1581 47.3641 -73.8632 37.1962 -31.9955 49.9936 -32.1131 -19.6775 TIMING: 4501600 CPU: 14234, 0.00316923/step Wall: 14234, 0.00316923/step, 0.438762 hours remaining, 234.746094 MB of memory in use. ENERGY: 4501600 3922.2798 20467.0417 14547.4542 234.0578 -203276.2765 2405.5354 0.0000 0.0000 52219.8763 -109480.0314 300.1083 -161699.9076 -109109.4546 299.1331 -116.0190 -86.8078 763143.4380 -6.7056 -6.8105 PRESSURE: 4501800 -198.832 -135.329 -31.7524 -135.329 213.281 -19.7039 -31.7522 -19.7039 96.1259 GPRESSURE: 4501800 -13.5074 -50.5839 -69.6327 -156.737 159.54 -23.8914 -75.9857 53.9266 48.1348 PRESSAVG: 4501800 -64.0513 -48.8657 4.54456 -48.8657 71.3908 14.6679 4.54463 14.6679 19.3069 GPRESSAVG: 4501800 -62.3095 -50.4378 4.53358 -47.7713 70.1207 14.1927 4.95578 14.8705 19.036 TIMING: 4501800 CPU: 14234.6, 0.00314362/step Wall: 14234.6, 0.00314362/step, 0.435043 hours remaining, 234.746094 MB of memory in use. ENERGY: 4501800 3951.5725 20572.3316 14540.1472 262.3112 -203670.5657 2645.9717 0.0000 0.0000 52131.6155 -109566.6159 299.6011 -161698.2314 -109198.2270 298.8908 36.8584 64.7223 761767.9534 8.8821 8.9491 PRESSURE: 4502000 -60.7977 -30.6921 399.623 -30.6915 262.002 -98.817 399.624 -98.8156 12.9002 GPRESSURE: 4502000 -17.7597 3.84567 440.089 35.3238 207.197 15.7972 462.683 -47.245 97.4149 PRESSAVG: 4502000 -18.0783 -5.47812 30.6839 -5.47829 23.6908 41.7886 30.6839 41.7886 -11.6508 GPRESSAVG: 4502000 -19.7298 -3.42775 30.4869 -5.4219 23.7188 42.0965 30.3953 39.5496 -10.5828 TIMING: 4502000 CPU: 14235.3, 0.00313464/step Wall: 14235.3, 0.00313464/step, 0.433626 hours remaining, 234.746094 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: 4502000 3963.0833 20563.1274 14542.3664 243.3319 -203539.9647 2860.3937 0.0000 0.0000 52046.5406 -109321.1215 299.1122 -161367.6621 -108952.9532 299.1382 71.3683 95.6175 761358.8904 -2.0128 -2.1979 PRESSURE: 4502200 -45.2319 91.354 -101.464 91.3534 -239.732 -232.301 -101.465 -232.302 -274.819 GPRESSURE: 4502200 -9.34694 8.46662 -137.881 2.61582 -129.304 -174.296 -53.1761 -283.074 -318.9 PRESSAVG: 4502200 -33.5872 -42.0906 24.6293 -42.0906 56.3359 -5.95335 24.6294 -5.95334 3.43704 GPRESSAVG: 4502200 -33.7411 -44.5336 26.468 -40.2775 56.351 -6.47003 23.0303 -5.41871 3.27018 TIMING: 4502200 CPU: 14235.9, 0.0031568/step Wall: 14235.9, 0.0031568/step, 0.436516 hours remaining, 234.746094 MB of memory in use. ENERGY: 4502200 4033.2214 20481.3995 14530.2731 252.8709 -202998.0566 2391.4611 0.0000 0.0000 51872.3021 -109436.5286 298.1108 -161308.8307 -109065.9278 299.1797 -186.5943 -152.5170 761801.2076 8.7286 8.6267 PRESSURE: 4502400 237.325 -36.7268 -235.821 -36.7264 -281.964 -293.743 -235.822 -293.743 -102.679 GPRESSURE: 4502400 304.123 -62.9137 -164.572 -96.7592 -323.225 -296.103 -231.191 -142.967 -51.2577 PRESSAVG: 4502400 -33.6307 -17.9575 14.1184 -17.9576 1.87084 -18.4103 14.1183 -18.4104 -13.3214 GPRESSAVG: 4502400 -32.7182 -18.3694 14.4039 -19.4034 1.78036 -19.1324 16.5237 -16.1757 -14.4587 TIMING: 4502400 CPU: 14236.5, 0.00313701/step Wall: 14236.5, 0.00313701/step, 0.433605 hours remaining, 234.746094 MB of memory in use. ENERGY: 4502400 3958.8925 20614.6357 14531.3049 223.4112 -203430.8976 2775.8519 0.0000 0.0000 51860.2688 -109466.5326 298.0417 -161326.8014 -109104.7014 298.9808 -49.1062 -23.4534 762127.8880 -15.0271 -15.1322 PRESSURE: 4502600 -18.6549 10.6743 -60.7378 10.6747 -284.868 33.6765 -60.7372 33.676 115.879 GPRESSURE: 4502600 38.6059 46.5594 -107.46 -57.4061 -264.271 4.37626 105.371 175.782 123.485 PRESSAVG: 4502600 33.6508 -40.4455 -27.5901 -40.4456 1.51887 -23.1618 -27.5901 -23.1618 -18.551 GPRESSAVG: 4502600 32.8813 -40.7555 -29.5332 -41.6992 1.07885 -21.134 -28.3643 -25.5409 -17.0948 TIMING: 4502600 CPU: 14237.1, 0.00313858/step Wall: 14237.1, 0.00313858/step, 0.433647 hours remaining, 234.746094 MB of memory in use. ENERGY: 4502600 3928.2019 20382.1959 14516.4372 234.7036 -203440.7558 2654.3079 0.0000 0.0000 52202.7298 -109522.1796 300.0098 -161724.9094 -109153.2784 299.0248 -62.5480 -34.0601 763417.2013 5.5396 5.6218 PRESSURE: 4502800 -214.582 -81.1521 -67.5788 -81.1525 69.0454 43.0675 -67.579 43.0658 -147.704 GPRESSURE: 4502800 -169.6 -57.9293 -124.455 -52.9954 148.005 30.0333 3.88299 197.49 -184.321 PRESSAVG: 4502800 27.9714 -1.31796 -7.72272 -1.31796 -38.1991 36.3246 -7.72272 36.3246 -8.58543 GPRESSAVG: 4502800 28.6996 -0.224401 -8.48597 -0.14659 -37.0865 36.3104 -5.75222 35.5403 -10.2159 TIMING: 4502800 CPU: 14237.8, 0.00314039/step Wall: 14237.8, 0.00314039/step, 0.433722 hours remaining, 234.746094 MB of memory in use. ENERGY: 4502800 4012.6258 20403.5974 14583.6489 256.6984 -203438.0154 2561.6515 0.0000 0.0000 52021.2846 -109598.5088 298.9670 -161619.7933 -109231.6279 298.9031 -97.7469 -68.6388 761277.0875 -6.2710 -6.2009 PRESSURE: 4503000 -108.025 -172.982 123.577 -172.983 -197.165 -249.491 123.577 -249.491 -156.403 GPRESSURE: 4503000 -168.531 -109.185 107.906 -92.6649 -172.602 -107.527 104.819 -221.235 -52.6309 PRESSAVG: 4503000 -30.1215 -7.12694 3.35127 -7.12687 28.2787 -44.7009 3.3513 -44.7009 16.0989 GPRESSAVG: 4503000 -31.9859 -5.28714 6.06888 -8.84004 28.5 -45.1348 -3.01996 -44.1638 17.8088 TIMING: 4503000 CPU: 14238.4, 0.00315054/step Wall: 14238.4, 0.00315054/step, 0.434949 hours remaining, 234.746094 MB of memory in use. ENERGY: 4503000 3929.2124 20427.1459 14485.9941 256.2888 -203292.8672 2539.7270 0.0000 0.0000 52135.3179 -109519.1811 299.6224 -161654.4989 -109156.1887 299.0079 -153.8642 -131.2546 763318.7243 4.7520 4.7743 PRESSURE: 4503200 -485.338 -260.179 -94.3516 -260.179 83.2081 -149.09 -94.3526 -149.091 -192.508 GPRESSURE: 4503200 -406.251 -253.847 -76.3032 -248.307 135.415 -208.244 -78.4235 -211.461 -240.065 PRESSAVG: 4503200 -43.9905 -57.3911 -7.48916 -57.3911 1.92005 -62.721 -7.48917 -62.721 -5.36452 GPRESSAVG: 4503200 -41.3028 -58.8999 -8.6456 -54.7247 -0.462671 -62.779 -4.27258 -60.2252 -5.7629 TIMING: 4503200 CPU: 14239, 0.00313013/step Wall: 14239, 0.00313013/step, 0.431957 hours remaining, 234.746094 MB of memory in use. ENERGY: 4503200 3971.9664 20636.1319 14459.7645 254.7627 -203628.6897 2766.9917 0.0000 0.0000 51859.1066 -109679.9660 298.0350 -161539.0726 -109325.5818 298.5665 -198.2125 -170.3003 762856.4186 -15.8116 -15.8428 PRESSURE: 4503400 -256.336 -5.30707 -157.425 -5.30678 -330.473 -47.198 -157.426 -47.1969 -569.618 GPRESSURE: 4503400 -245.273 -122.486 -178.349 -53.4995 -316.386 -148.671 -37.7181 73.1283 -528.933 PRESSAVG: 4503400 -28.5091 -72.3321 18.7003 -72.3321 71.2 -69.6377 18.7003 -69.6377 2.46183 GPRESSAVG: 4503400 -29.7895 -72.5448 18.938 -75.5206 71.6516 -71.7065 17.4665 -69.968 3.21913 TIMING: 4503400 CPU: 14239.7, 0.00313779/step Wall: 14239.7, 0.00313779/step, 0.432841 hours remaining, 234.746094 MB of memory in use. ENERGY: 4503400 3980.0977 20470.6314 14463.4905 243.8521 -203021.1859 2368.8116 0.0000 0.0000 52141.7658 -109352.5368 299.6594 -161494.3027 -109002.0229 298.6244 -385.4759 -363.5308 765730.2071 15.0509 15.0271 PRESSURE: 4503600 -238.387 -29.0228 8.23435 -29.0229 251.71 52.2527 8.23486 52.2533 20.774 GPRESSURE: 4503600 -218.271 -45.4302 19.1975 -3.52943 305.201 45.739 26.8675 75.0728 47.6046 PRESSAVG: 4503600 -37.6687 -74.2111 62.0626 -74.211 23.2986 -7.06215 62.0626 -7.06214 -6.45284 GPRESSAVG: 4503600 -37.966 -72.9109 62.8975 -71.7902 24.4465 -5.83627 63.1981 -7.5422 -7.18852 TIMING: 4503600 CPU: 14240.3, 0.00314685/step Wall: 14240.3, 0.00314685/step, 0.433916 hours remaining, 234.746094 MB of memory in use. ENERGY: 4503600 3964.8054 20544.7163 14474.8561 241.4760 -203004.8994 2579.1233 0.0000 0.0000 52016.1213 -109183.8009 298.9374 -161199.9222 -108812.3277 298.8458 11.3657 44.8451 764990.6761 -6.9410 -6.9027 PRESSURE: 4503800 151.589 -59.7303 -23.9267 -59.7317 36.712 158.397 -23.9264 158.396 182.742 GPRESSURE: 4503800 187.004 -127.537 -46.4812 -144.052 98.7729 90.7796 10.854 149.339 160.786 PRESSAVG: 4503800 -22.1446 -13.6997 31.0285 -13.6997 41.1891 -0.310571 31.0285 -0.310613 -4.26938 GPRESSAVG: 4503800 -22.4258 -14.8426 30.0978 -14.987 41.5704 0.0220479 31.9623 0.265976 -4.25113 TIMING: 4503800 CPU: 14240.9, 0.00313601/step Wall: 14240.9, 0.00313601/step, 0.432247 hours remaining, 234.746094 MB of memory in use. ENERGY: 4503800 4041.3171 20603.8286 14433.7415 255.5106 -203215.1305 2508.7722 0.0000 0.0000 52075.8047 -109296.1558 299.2804 -161371.9605 -108940.2596 298.9763 123.6811 148.8543 762999.0071 4.9250 4.9645 PRESSURE: 4504000 229.835 112.854 86.2329 112.853 -263.63 1.64675 86.2327 1.64667 -411.849 GPRESSURE: 4504000 269.884 76.9044 -8.0605 176.893 -176.558 -77.514 37.0028 -24.5394 -474.593 PRESSAVG: 4504000 11.3657 38.6902 9.43358 38.6902 17.4901 -3.2319 9.43357 -3.23184 1.35854 GPRESSAVG: 4504000 11.9023 39.6778 8.49701 37.7268 17.6692 -3.98168 5.58832 -3.43413 0.781323 TIMING: 4504000 CPU: 14241.5, 0.00313581/step Wall: 14241.5, 0.00313581/step, 0.432044 hours remaining, 234.746094 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: 4504000 3906.2465 20404.6806 14512.1346 220.3098 -203235.8125 2558.4126 0.0000 0.0000 52268.4697 -109365.5588 300.3876 -161634.0285 -109005.7440 299.2401 -148.5479 -127.0886 762969.1985 10.0715 10.1176 PRESSURE: 4504200 -61.1615 15.8387 -46.9983 15.8379 137.171 72.2219 -46.9969 72.2213 -107.571 GPRESSURE: 4504200 26.0225 57.3738 -47.3695 -18.5285 218.377 23.7435 82.8277 151.854 -170.851 PRESSAVG: 4504200 4.69927 57.2317 -11.5576 57.2316 -33.2314 23.666 -11.5575 23.666 -6.54218 GPRESSAVG: 4504200 4.76739 56.5515 -11.5136 56.6299 -34.0061 23.8022 -8.4712 22.1744 -6.15029 TIMING: 4504200 CPU: 14242.2, 0.0031436/step Wall: 14242.2, 0.0031436/step, 0.432944 hours remaining, 234.746094 MB of memory in use. ENERGY: 4504200 3952.8323 20313.9476 14466.7439 239.2770 -203368.7560 2718.5726 0.0000 0.0000 52160.6069 -109516.7758 299.7677 -161677.3827 -109151.8954 299.3016 -10.5203 24.5161 761950.8964 -11.6914 -11.7963 LDB: ============= START OF LOAD BALANCING ============== 14254.7 LDB: ============== END OF LOAD BALANCING =============== 14254.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14254.7 LDB: ============= START OF LOAD BALANCING ============== 14255 LDB: Largest compute 7078 load 0.033712 is 17.2% of average load 0.195553 LDB: Average compute 0.004381 is 2.2% of average load 0.195553 LDB: TIME 14255 LOAD: AVG 0.195553 MAX 0.219626 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 14255 LOAD: AVG 0.195553 MAX 0.219626 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 14255 LOAD: AVG 0.195553 MAX 0.215815 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 14255 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14255 PRESSURE: 4504400 42.2628 -94.0707 129.24 -94.0702 85.757 -27.9674 129.24 -27.9677 -125.111 GPRESSURE: 4504400 180.88 -57.6226 167.362 -113.293 24.3747 -71.7105 217.911 -5.53571 -111.864 PRESSAVG: 4504400 -15.6343 -3.46105 12.804 -3.46108 35.8063 -37.8752 12.8041 -37.8753 17.4321 GPRESSAVG: 4504400 -15.0972 -4.93913 12.6425 -4.2048 36.3053 -37.6553 12.1592 -35.8472 16.075 TIMING: 4504400 CPU: 14242.8, 0.00322301/step Wall: 14242.8, 0.00322301/step, 0.443702 hours remaining, 235.519531 MB of memory in use. ENERGY: 4504400 4025.9280 20403.5474 14461.3168 256.5373 -203440.1406 2786.2948 0.0000 0.0000 52109.4522 -109397.0640 299.4737 -161506.5162 -109032.6376 299.5623 0.9695 31.1302 762062.6446 12.5347 12.4277 PRESSURE: 4504600 -262.935 -136.419 -17.6201 -136.419 -13.424 -91.6131 -17.6204 -91.6135 -148.326 GPRESSURE: 4504600 -197.025 -159.928 -49.0996 -56.0665 -42.7067 -138.029 -53.4837 -124.754 -98.7596 PRESSAVG: 4504600 17.1644 -39.9374 21.9841 -39.9374 9.62124 -70.9513 21.9841 -70.9513 1.11419 GPRESSAVG: 4504600 17.0975 -40.1134 22.9037 -37.9114 8.98597 -70.4781 21.3214 -71.3047 1.81086 TIMING: 4504600 CPU: 14243.4, 0.00315829/step Wall: 14243.4, 0.0031583/step, 0.434616 hours remaining, 235.519531 MB of memory in use. ENERGY: 4504600 3950.1226 20613.4503 14420.3309 256.4146 -203292.7033 2437.2816 0.0000 0.0000 52309.4966 -109305.6067 300.6234 -161615.1033 -108931.8911 299.5247 -141.5615 -112.8305 763619.1262 9.3000 9.2981 PRESSURE: 4504800 -2.49923 81.4294 20.8934 81.4302 276.727 101.886 20.8937 101.886 -16.7321 GPRESSURE: 4504800 59.0206 -14.6386 18.1907 17.462 278.537 157.074 -4.14683 79.4586 -7.97595 PRESSAVG: 4504800 -18.8412 17.8603 23.4064 17.8603 29.7402 -9.99549 23.4064 -9.9956 -14.3104 GPRESSAVG: 4504800 -18.6722 17.541 23.8617 18.1097 29.2386 -10.0719 23.7157 -8.57542 -13.9783 TIMING: 4504800 CPU: 14244.1, 0.00316079/step Wall: 14244.1, 0.00316079/step, 0.434785 hours remaining, 235.691406 MB of memory in use. ENERGY: 4504800 3866.0012 20370.5328 14547.2242 237.9532 -203579.4918 2852.6593 0.0000 0.0000 52272.5239 -109432.5971 300.4109 -161705.1210 -109058.7749 299.2938 85.8319 109.8606 761863.6100 -1.1371 -1.1373 PRESSURE: 4505000 43.2516 9.70247 259.323 9.70201 9.03224 104.105 259.324 104.104 0.595033 GPRESSURE: 4505000 62.9889 125.562 295.255 -3.58459 97.1547 127.582 134.41 31.0301 -15.2395 PRESSAVG: 4505000 -44.0513 -20.056 73.5466 -20.056 45.9846 50.085 73.5466 50.0849 21.1475 GPRESSAVG: 4505000 -45.1319 -18.6752 73.231 -21.3816 47.5942 49.1816 73.0115 48.5971 20.7412 TIMING: 4505000 CPU: 14244.7, 0.0031576/step Wall: 14244.7, 0.0031576/step, 0.434169 hours remaining, 235.691406 MB of memory in use. ENERGY: 4505000 4078.0674 20434.2242 14538.9989 229.8235 -203235.9095 2494.0090 0.0000 0.0000 52106.0140 -109354.7726 299.4540 -161460.7866 -108993.4883 299.2578 17.6263 48.3014 761635.3856 7.6936 7.7345 PRESSURE: 4505200 165.718 163.72 -263.061 163.72 -31.0999 202.717 -263.061 202.717 -53.6485 GPRESSURE: 4505200 185.744 127.162 -265.803 39.2443 68.8014 239.273 -141.364 109.857 -97.3582 PRESSAVG: 4505200 8.40042 -15.9009 1.1792 -15.9009 -5.2188 3.31167 1.17916 3.31172 -7.33452 GPRESSAVG: 4505200 9.21976 -15.8342 -0.455302 -15.264 -7.21088 4.35682 3.15766 2.13645 -5.93886 TIMING: 4505200 CPU: 14245.3, 0.00313093/step Wall: 14245.3, 0.00313093/step, 0.430328 hours remaining, 235.691406 MB of memory in use. ENERGY: 4505200 3930.4303 20529.2378 14513.0275 263.8112 -203348.7830 2603.2387 0.0000 0.0000 52309.8686 -109199.1690 300.6255 -161509.0376 -108842.6495 299.2141 26.9899 52.3958 761564.3199 -1.3843 -1.3100 PRESSURE: 4505400 50.3695 -163.953 -44.5155 -163.952 -9.47118 -249.42 -44.5152 -249.42 8.65526 GPRESSURE: 4505400 9.45707 -215.205 1.41213 -146.406 64.4073 -237.99 -104.356 -285.852 56.7157 PRESSAVG: 4505400 -31.8895 -11.2155 47.5067 -11.2155 36.2958 30.4429 47.5067 30.4429 6.69407 GPRESSAVG: 4505400 -30.8782 -13.2193 48.8883 -11.7821 36.8502 28.8072 45.8301 31.8928 4.88813 TIMING: 4505400 CPU: 14246, 0.00314784/step Wall: 14246, 0.00314784/step, 0.432479 hours remaining, 235.691406 MB of memory in use. ENERGY: 4505400 3986.2062 20414.9824 14423.4745 224.5869 -202728.4250 2431.4336 0.0000 0.0000 51951.1963 -109296.5449 298.5642 -161247.7413 -108932.2221 299.2601 16.5179 43.5267 762922.2102 3.7001 3.6200 PRESSURE: 4505600 242.763 -164.032 -50.4327 -164.032 -332.395 250.857 -50.4321 250.858 -404.264 GPRESSURE: 4505600 279.813 -130.47 -155.466 -91.6706 -328.924 271.37 85.9084 149.185 -378.625 PRESSAVG: 4505600 11.3421 -9.93262 20.2402 -9.93263 60.3127 -43.5976 20.2403 -43.5976 11.1592 GPRESSAVG: 4505600 10.5062 -7.767 19.0342 -7.78113 60.6827 -42.5694 21.6102 -43.52 11.4166 TIMING: 4505600 CPU: 14246.6, 0.00315992/step Wall: 14246.6, 0.00315992/step, 0.433962 hours remaining, 235.761719 MB of memory in use. ENERGY: 4505600 4059.8187 20419.3137 14415.2578 246.4124 -202665.5587 2369.8467 0.0000 0.0000 51970.5066 -109184.4028 298.6752 -161154.9094 -108829.5430 299.2350 -164.6320 -142.5787 762972.0540 27.6047 27.5352 PRESSURE: 4505800 -76.0487 93.0375 -130.503 93.0373 -136.473 -174.695 -130.502 -174.695 -174.036 GPRESSURE: 4505800 -200.131 57.7201 -97.2655 63.5427 41.7228 -223.082 -104.691 -55.2908 -130.811 PRESSAVG: 4505800 15.7381 -12.1849 14.6445 -12.1849 -13.5595 -16.3515 14.6445 -16.3514 15.517 GPRESSAVG: 4505800 14.7692 -12.5786 13.9698 -13.1654 -12.2058 -17.9926 14.2047 -16.8961 15.3272 TIMING: 4505800 CPU: 14247.2, 0.00315236/step Wall: 14247.2, 0.00315236/step, 0.432749 hours remaining, 235.761719 MB of memory in use. ENERGY: 4505800 4043.5564 20735.9938 14506.6297 223.6920 -203081.1863 2601.6970 0.0000 0.0000 52009.7443 -108959.8732 298.9007 -160969.6175 -108605.8221 300.1228 -128.8524 -96.4064 761445.0307 5.8986 5.9635 PRESSURE: 4506000 -233.328 8.03909 71.4033 8.03986 107.705 -132.737 71.4032 -132.738 106.414 GPRESSURE: 4506000 0.495712 15.0781 -0.119088 -44.7853 69.3451 -110.205 110.837 -92.2806 1.9468 PRESSAVG: 4506000 -21.7598 4.11582 -26.4227 4.11581 -24.634 5.60751 -26.4226 5.60745 -9.7846 GPRESSAVG: 4506000 -21.0111 4.49901 -25.162 4.38344 -25.6314 7.81656 -28.2364 5.608 -9.01952 TIMING: 4506000 CPU: 14247.9, 0.00314537/step Wall: 14247.9, 0.00314537/step, 0.431615 hours remaining, 235.964844 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: 4506000 3984.9179 20623.8092 14457.5283 241.8218 -203079.1214 2428.7590 0.0000 0.0000 52440.1499 -108902.1352 301.3743 -161342.2851 -108536.3444 300.6040 -6.4029 23.9292 760830.6533 -18.7261 -18.5540 PRESSURE: 4506200 -365.055 -193.001 -83.6485 -193.002 -600.055 -100.317 -83.6484 -100.317 -174.192 GPRESSURE: 4506200 -330.788 -202.284 -48.2429 -101.917 -511.413 -100.925 -11.247 -105.415 -186.292 PRESSAVG: 4506200 11.5053 7.54122 -49.4379 7.54118 34.209 -10.4343 -49.4379 -10.4343 -15.0003 GPRESSAVG: 4506200 12.5025 6.94086 -51.142 4.76766 34.1892 -10.345 -48.2855 -9.7111 -15.4433 TIMING: 4506200 CPU: 14248.5, 0.00314543/step Wall: 14248.5, 0.00314543/step, 0.431448 hours remaining, 235.964844 MB of memory in use. ENERGY: 4506200 3953.5168 20635.2256 14514.3212 264.6243 -202493.0939 2178.6952 0.0000 0.0000 52117.4828 -108829.2281 299.5199 -160946.7109 -108472.5620 300.8747 -379.7671 -342.8313 763485.4955 10.2380 10.4161 PRESSURE: 4506400 -248.582 74.5663 5.33756 74.5659 -65.9696 -26.625 5.33783 -26.6241 -149.194 GPRESSURE: 4506400 -232.887 110.811 -8.6151 101.493 -73.3857 -25.058 -77.5498 -21.6145 -94.7094 PRESSAVG: 4506400 -16.2831 10.5039 -33.4515 10.504 15.7494 -37.8636 -33.4515 -37.8635 -21.0246 GPRESSAVG: 4506400 -17.0708 11.2372 -33.1688 11.7224 16.4832 -38.3818 -34.5444 -40.1156 -20.9444 TIMING: 4506400 CPU: 14249.1, 0.00314453/step Wall: 14249.1, 0.00314453/step, 0.43115 hours remaining, 235.964844 MB of memory in use. ENERGY: 4506400 3950.5164 20390.5580 14541.0369 255.8829 -202985.9233 2441.1577 0.0000 0.0000 52402.0014 -109004.7699 301.1550 -161406.7713 -108651.3379 300.2627 -154.5818 -133.6606 762338.3161 -7.1861 -7.1773 PRESSURE: 4506600 119.4 5.84388 197.902 5.84463 242.364 -100.238 197.902 -100.237 432.988 GPRESSURE: 4506600 188.525 -142.74 178.669 79.6756 268.511 -127.037 201.876 -66.4388 433.169 PRESSAVG: 4506600 25.2198 -41.5447 -41.0508 -41.5447 17.264 -20.4886 -41.0508 -20.4885 15.3939 GPRESSAVG: 4506600 23.9289 -41.8704 -40.7234 -41.2586 16.8062 -22.4704 -39.1935 -20.5118 16.3169 TIMING: 4506600 CPU: 14249.7, 0.00315151/step Wall: 14249.7, 0.00315151/step, 0.431932 hours remaining, 235.964844 MB of memory in use. ENERGY: 4506600 4129.0510 20407.1967 14522.5531 240.3182 -203354.3951 2977.8307 0.0000 0.0000 52152.2252 -108925.2202 299.7196 -161077.4453 -108553.1008 300.6507 264.9175 296.7350 760165.7466 19.2925 19.0173 PRESSURE: 4506800 220.672 139.946 -241.437 139.945 140.46 -270.944 -241.437 -270.946 -171.324 GPRESSURE: 4506800 205.056 60.2883 -316.195 154.555 216.854 -219.98 -287.89 -251.462 -126.681 PRESSAVG: 4506800 -28.4761 -7.30563 -8.62768 -7.3056 11.3437 -58.9832 -8.62765 -58.9832 3.33853 GPRESSAVG: 4506800 -25.5171 -7.43858 -8.19196 -7.8944 10.2684 -57.5678 -10.2134 -58.4525 1.42872 TIMING: 4506800 CPU: 14250.4, 0.0031469/step Wall: 14250.4, 0.0031469/step, 0.431126 hours remaining, 235.964844 MB of memory in use. ENERGY: 4506800 3974.4252 20661.5791 14545.9982 256.8265 -203128.9532 2536.6828 0.0000 0.0000 51978.4363 -109175.0051 298.7208 -161153.4414 -108817.1536 300.6649 63.2693 98.4095 759164.3490 -4.5980 -4.6067 PRESSURE: 4507000 -121.074 -136.78 120.235 -136.78 -78.7249 -5.30243 120.234 -5.30167 -518.669 GPRESSURE: 4507000 -67.088 -169.004 138.926 -56.8296 -29.377 -210.982 54.3905 51.9987 -522.008 PRESSAVG: 4507000 -34.8547 -75.7429 -60.1833 -75.7429 39.9554 -40.0629 -60.1833 -40.063 -29.6709 GPRESSAVG: 4507000 -36.0573 -78.2729 -58.8943 -74.9284 40.5502 -41.1776 -60.4404 -40.3002 -28.8341 TIMING: 4507000 CPU: 14251, 0.00315386/step Wall: 14251, 0.00315386/step, 0.431903 hours remaining, 235.964844 MB of memory in use. ENERGY: 4507000 3998.7898 20442.0961 14454.7789 241.4029 -203299.6884 2526.6575 0.0000 0.0000 52232.3877 -109403.5754 300.1802 -161635.9631 -109030.9675 300.0958 -239.4893 -206.1576 760705.5859 -8.1901 -8.1137 PRESSURE: 4507200 -90.2043 -189.205 -87.3964 -189.205 62.954 164.592 -87.3967 164.593 -117.389 GPRESSURE: 4507200 -133.22 -125.191 -22.1077 -121.631 185.022 186.87 -60.6755 188.603 -124.53 PRESSAVG: 4507200 -50.9671 -17.066 -18.2133 -17.066 45.6079 -0.455736 -18.2133 -0.455703 -10.0353 GPRESSAVG: 4507200 -51.8495 -15.2167 -20.1226 -17.0895 46.6425 -0.360413 -17.7112 0.696263 -10.2064 TIMING: 4507200 CPU: 14251.6, 0.00317058/step Wall: 14251.6, 0.00317058/step, 0.434018 hours remaining, 235.964844 MB of memory in use. ENERGY: 4507200 4010.3600 20513.7578 14463.2701 238.3491 -203415.4037 2448.3766 0.0000 0.0000 52145.0681 -109596.2219 299.6784 -161741.2900 -109221.5686 299.3445 -48.2132 -24.2425 760814.7592 -5.1315 -5.1378 PRESSURE: 4507400 105.498 -19.9382 -253.978 -19.9383 78.2871 -83.4896 -253.979 -83.4904 93.5747 GPRESSURE: 4507400 163.789 -142.826 -302.05 -19.8647 95.2338 -22.4481 -249.371 -54.5959 82.8865 PRESSAVG: 4507400 -16.4819 -44.5089 -54.9389 -44.5088 38.0473 -4.90986 -54.9389 -4.90992 -26.367 GPRESSAVG: 4507400 -15.4711 -42.3231 -54.5344 -45.8267 36.422 -2.84447 -53.8499 -4.77109 -25.7009 TIMING: 4507400 CPU: 14252.3, 0.00317588/step Wall: 14252.3, 0.00317588/step, 0.434566 hours remaining, 235.964844 MB of memory in use. ENERGY: 4507400 3977.7615 20362.3090 14464.8105 256.5384 -202959.9725 2388.8275 0.0000 0.0000 52015.6275 -109494.0981 298.9345 -161509.7256 -109131.7711 299.1912 92.4532 113.9698 760696.5634 -1.6005 -1.5834 PRESSURE: 4507600 -72.4608 -40.4525 -63.7889 -40.4523 419.607 -123.922 -63.7889 -123.921 185.226 GPRESSURE: 4507600 94.4338 -49.3881 -103.414 89.7577 383.714 -32.6837 -12.5476 -42.1695 137.223 PRESSAVG: 4507600 -24.8466 -84.6988 -11.3082 -84.6987 47.1064 46.9303 -11.3082 46.9301 -4.12404 GPRESSAVG: 4507600 -25.2982 -86.0665 -12.4807 -83.3196 47.8371 45.8575 -12.8734 45.9644 -4.91016 TIMING: 4507600 CPU: 14252.9, 0.00314584/step Wall: 14252.9, 0.00314584/step, 0.430282 hours remaining, 235.964844 MB of memory in use. ENERGY: 4507600 3908.4817 20375.1075 14423.5862 239.2978 -203519.6113 2792.9438 0.0000 0.0000 52362.1066 -109418.0877 300.9257 -161780.1942 -109053.9982 299.4059 177.4577 205.1234 760871.4940 6.0452 5.8763 PRESSURE: 4507800 -241.91 -208.719 -111.413 -208.72 -82.2952 42.2795 -111.413 42.2797 9.22464 GPRESSURE: 4507800 -128.857 -242.835 -34.9993 -94.5175 -78.3773 17.786 3.97111 65.3007 -32.3489 PRESSAVG: 4507800 4.19188 -14.2994 -25.3959 -14.2994 18.8544 -6.80039 -25.3959 -6.80045 10.9302 GPRESSAVG: 4507800 2.94663 -15.5304 -23.9804 -13.1815 18.9488 -7.24467 -24.2965 -5.46887 12.0486 TIMING: 4507800 CPU: 14253.5, 0.00316358/step Wall: 14253.5, 0.00316358/step, 0.432532 hours remaining, 235.964844 MB of memory in use. ENERGY: 4507800 3976.7345 20539.3897 14421.3932 236.9179 -203006.9584 2462.1922 0.0000 0.0000 52209.7600 -109160.5710 300.0502 -161370.3310 -108799.3575 299.1112 -104.9934 -79.8610 761762.8247 11.3255 11.3147 PRESSURE: 4508000 -73.8141 -148.335 308.713 -148.336 24.2309 16.4209 308.712 16.42 300.299 GPRESSURE: 4508000 -80.1081 -41.0947 316.012 -222.936 112.357 -27.2656 397.116 91.9994 317.392 PRESSAVG: 4508000 -91.6492 -18.7929 4.58036 -18.7929 40.799 -13.352 4.5804 -13.352 -4.63637 GPRESSAVG: 4508000 -91.3203 -17.1372 3.36336 -21.3541 40.8897 -11.4979 6.84761 -15.3438 -5.05889 TIMING: 4508000 CPU: 14254.2, 0.00317169/step Wall: 14254.2, 0.00317169/step, 0.433465 hours remaining, 235.964844 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: 4508000 4046.5906 20491.2358 14537.2779 257.8811 -203237.9321 2702.8286 0.0000 0.0000 52063.8517 -109138.2665 299.2117 -161202.1181 -108774.3674 299.7926 83.5721 116.5470 762012.9536 -18.4955 -18.4965 PRESSURE: 4508200 -263.64 112.126 77.9859 112.127 -199.53 -67.1132 77.986 -67.1137 -290.762 GPRESSURE: 4508200 -205.045 82.9653 105.107 135.061 -218.358 -62.6003 5.17549 -27.3036 -241.586 PRESSAVG: 4508200 -26.7913 -72.0082 6.87363 -72.0081 18.9953 9.21078 6.87363 9.21083 2.38752 GPRESSAVG: 4508200 -26.132 -71.7419 6.79193 -71.6258 18.5579 7.40133 6.67559 8.34307 2.22732 TIMING: 4508200 CPU: 14254.8, 0.00316558/step Wall: 14254.8, 0.00316558/step, 0.432454 hours remaining, 235.964844 MB of memory in use. ENERGY: 4508200 3977.8867 20455.1739 14616.0533 217.2283 -203170.9254 2545.5106 0.0000 0.0000 52311.9302 -109047.1424 300.6374 -161359.0726 -108680.8854 300.1776 -251.3109 -221.6631 760805.6055 -1.8028 -1.7822 LDB: ============= START OF LOAD BALANCING ============== 14267.3 LDB: ============== END OF LOAD BALANCING =============== 14267.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14267.3 LDB: ============= START OF LOAD BALANCING ============== 14267.7 LDB: Largest compute 7074 load 0.033498 is 17.1% of average load 0.195555 LDB: Average compute 0.004394 is 2.2% of average load 0.195555 LDB: TIME 14267.7 LOAD: AVG 0.195555 MAX 0.219317 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 14267.7 LOAD: AVG 0.195555 MAX 0.219317 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 14267.7 LOAD: AVG 0.195555 MAX 0.217911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 14267.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14267.7 PRESSURE: 4508400 -63.8942 -102.904 -47.0247 -102.904 156.963 303.043 -47.0253 303.042 -60.5643 GPRESSURE: 4508400 -109.361 -136.49 114.637 -140.939 183.325 296.82 -167.882 318.768 56.0803 PRESSAVG: 4508400 28.1904 -66.4957 8.22468 -66.4957 -10.7812 69.2337 8.2246 69.2336 10.344 GPRESSAVG: 4508400 28.2951 -67.1285 8.33762 -65.9011 -11.721 70.8206 5.8523 71.5733 11.2279 TIMING: 4508400 CPU: 14255.5, 0.00322138/step Wall: 14255.5, 0.00322138/step, 0.439898 hours remaining, 235.652344 MB of memory in use. ENERGY: 4508400 3993.7704 20274.1730 14493.2712 238.3950 -203282.4910 2763.0727 0.0000 0.0000 52447.7187 -109072.0900 301.4178 -161519.8087 -108701.8779 300.0119 10.8348 43.3480 759483.1948 9.2511 9.2673 PRESSURE: 4508600 229.094 -67.1352 -250.488 -67.1351 415.231 135.221 -250.488 135.222 -125.532 GPRESSURE: 4508600 209.006 -61.0387 -335.702 -10.5443 456.231 17.5685 -92.1625 150.905 -63.6674 PRESSAVG: 4508600 -33.4876 -14.7071 24.2604 -14.707 21.0945 21.3016 24.2604 21.3016 -8.54862 GPRESSAVG: 4508600 -33.2814 -15.1431 24.7518 -13.5932 22.3412 19.9155 25.8098 20.9168 -9.3243 TIMING: 4508600 CPU: 14256.1, 0.0031702/step Wall: 14256.1, 0.0031702/step, 0.432732 hours remaining, 235.652344 MB of memory in use. ENERGY: 4508600 3905.8100 20561.8291 14506.7862 239.9124 -203108.5989 2537.9744 0.0000 0.0000 52191.3459 -109164.9408 299.9444 -161356.2867 -108795.2391 300.0357 172.9313 200.5234 760512.8633 -6.9806 -6.7548 PRESSURE: 4508800 -63.1379 137.111 115.503 137.11 94.3546 -12.7721 115.503 -12.7724 98.6102 GPRESSURE: 4508800 88.308 200.82 52.8125 -2.78338 38.7095 -93.8369 116.448 95.4963 69.3374 PRESSAVG: 4508800 -34.1711 29.6833 8.85582 29.6833 40.27 51.0234 8.85585 51.0235 -3.50529 GPRESSAVG: 4508800 -32.721 30.4193 8.77755 27.3855 39.3198 52.3937 8.62962 50.8117 -3.89731 TIMING: 4508800 CPU: 14256.7, 0.00316803/step Wall: 14256.7, 0.00316803/step, 0.43226 hours remaining, 235.652344 MB of memory in use. ENERGY: 4508800 4003.1314 20467.3378 14437.2347 253.9778 -203722.7877 2883.0736 0.0000 0.0000 52317.1842 -109360.8483 300.6676 -161678.0325 -108997.8752 299.9957 43.2756 65.4517 760796.8297 0.8646 0.9005 PRESSURE: 4509000 42.6204 -133.372 30.7696 -133.373 89.2454 47.5636 30.7701 47.5611 352.909 GPRESSURE: 4509000 194.192 -117.016 -32.442 -78.8305 94.795 51.9336 4.50247 82.7865 301.344 PRESSAVG: 4509000 -14.1845 -29.9943 63.8022 -29.9943 -0.394749 -39.6804 63.8022 -39.6803 16.2398 GPRESSAVG: 4509000 -14.0136 -28.8118 64.5961 -29.0543 -1.38657 -41.4109 61.5348 -37.7879 17.2029 TIMING: 4509000 CPU: 14257.4, 0.00315749/step Wall: 14257.4, 0.00315749/step, 0.430646 hours remaining, 235.652344 MB of memory in use. ENERGY: 4509000 4005.1728 20386.8063 14498.0644 252.6091 -203253.7421 2618.0025 0.0000 0.0000 51982.6521 -109510.4349 298.7450 -161493.0869 -109143.1111 299.5083 161.5915 196.7771 762318.3227 0.5535 0.6009 PRESSURE: 4509200 -61.8736 64.8647 57.6828 64.8649 -306.741 -143.445 57.6836 -143.444 133.414 GPRESSURE: 4509200 -137.13 70.8065 11.1843 62.4165 -168.423 -176.094 164.044 -90.0871 167.58 PRESSAVG: 4509200 -39.7118 -20.448 27.8348 -20.448 55.0519 -27.6809 27.8348 -27.6808 -3.99281 GPRESSAVG: 4509200 -40.3448 -21.7732 27.8222 -20.262 57.2527 -26.7299 30.2107 -27.6115 -5.08439 TIMING: 4509200 CPU: 14258, 0.00317844/step Wall: 14258, 0.00317844/step, 0.433327 hours remaining, 235.652344 MB of memory in use. ENERGY: 4509200 3952.8451 20457.4646 14528.6016 230.8619 -203460.9928 2680.9063 0.0000 0.0000 52146.0552 -109464.2581 299.6841 -161610.3133 -109111.1002 299.5556 -78.4002 -45.9912 761607.2596 3.7824 3.9412 PRESSURE: 4509400 21.2947 -31.9217 -65.2097 -31.921 228.944 14.186 -65.2094 14.1859 -0.475914 GPRESSURE: 4509400 83.9354 -36.2983 -9.28053 -83.3891 270.094 68.8968 -16.441 -115.389 -21.1854 PRESSAVG: 4509400 -35.3451 -31.9347 8.78579 -31.9347 38.7316 47.5505 8.7858 47.5504 -3.84781 GPRESSAVG: 4509400 -35.4151 -32.1372 9.24565 -32.826 38.0017 47.3501 8.34514 45.9253 -3.43756 TIMING: 4509400 CPU: 14258.6, 0.00317812/step Wall: 14258.6, 0.00317812/step, 0.433107 hours remaining, 235.652344 MB of memory in use. ENERGY: 4509400 3997.7897 20509.5650 14521.3994 276.6686 -203498.3625 2723.7253 0.0000 0.0000 51927.4001 -109541.8143 298.4275 -161469.2144 -109187.1224 299.1058 83.2544 110.9479 760494.3629 -0.1538 -0.2836 PRESSURE: 4509600 180.824 -47.2936 130.522 -47.2934 109.978 -41.4764 130.522 -41.4763 304.729 GPRESSURE: 4509600 238.886 -26.644 103.214 -137.868 119.888 -15.3469 72.384 62.7869 334.028 PRESSAVG: 4509600 -19.1604 -32.7343 -3.3959 -32.7343 34.6311 44.6102 -3.39592 44.6102 -3.86809 GPRESSAVG: 4509600 -19.0162 -33.2966 -4.55849 -33.1101 34.8673 46.5174 -1.40032 45.3843 -4.17519 TIMING: 4509600 CPU: 14259.3, 0.00315213/step Wall: 14259.3, 0.00315213/step, 0.42939 hours remaining, 235.652344 MB of memory in use. ENERGY: 4509600 4012.6807 20427.0765 14489.3554 230.6202 -203823.8085 2978.1349 0.0000 0.0000 51954.2497 -109731.6912 298.5818 -161685.9409 -109367.7436 298.7908 198.5103 230.9341 758465.3651 3.8675 3.8919 PRESSURE: 4509800 -12.1456 7.28465 276.185 7.28536 65.9669 110.124 276.186 110.125 -379.988 GPRESSURE: 4509800 55.7466 -11.32 309.078 -30.3856 103.402 57.6013 224.107 8.84532 -388.305 PRESSAVG: 4509800 -40.294 -25.1842 10.1111 -25.1843 28.3796 24.338 10.1111 24.338 11.7776 GPRESSAVG: 4509800 -40.1943 -26.6762 10.7299 -23.6894 27.5423 23.9815 7.99525 23.9795 12.5935 TIMING: 4509800 CPU: 14259.9, 0.00318952/step Wall: 14259.9, 0.00318952/step, 0.434307 hours remaining, 235.652344 MB of memory in use. ENERGY: 4509800 3917.2118 20502.5234 14502.7991 241.4446 -203362.3463 2487.3850 0.0000 0.0000 52100.0961 -109610.8862 299.4200 -161710.9823 -109245.4507 298.6044 -108.7222 -76.3853 761219.6337 -0.0456 -0.0195 PRESSURE: 4510000 -193.061 25.7802 -31.3064 25.7798 -112.466 33.8546 -31.306 33.8546 351.261 GPRESSURE: 4510000 -193.204 55.2109 -25.2351 45.4102 -18.7165 37.9713 -80.2844 58.7963 314.077 PRESSAVG: 4510000 -42.302 -22.681 19.9836 -22.681 9.47257 70.2666 19.9836 70.2666 0.136501 GPRESSAVG: 4510000 -41.6784 -20.3908 19.4331 -26.1188 8.58434 68.8723 21.2078 70.1355 -0.292361 TIMING: 4510000 CPU: 14260.5, 0.00317916/step Wall: 14260.5, 0.00317916/step, 0.432719 hours remaining, 235.652344 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: 4510000 4038.3675 20530.5491 14548.3613 244.9326 -203438.9190 2516.1938 0.0000 0.0000 52076.1982 -109484.3165 299.2826 -161560.5147 -109131.1515 298.8460 15.2446 34.0520 759217.9105 -10.8976 -11.1288 PRESSURE: 4510200 290.146 127.159 -164.134 127.16 95.0099 -220.794 -164.135 -220.794 26.1756 GPRESSURE: 4510200 303.913 20.2301 -161.573 144.938 129.253 -245.321 -144.833 -94.7095 88.0784 PRESSAVG: 4510200 -25.4458 -16.8769 -12.873 -16.8768 58.9342 42.4672 -12.873 42.4672 -3.22005 GPRESSAVG: 4510200 -26.5655 -17.4314 -11.7727 -14.0006 59.2033 43.6473 -15.8755 43.2329 -2.16325 TIMING: 4510200 CPU: 14261.2, 0.00317441/step Wall: 14261.2, 0.0031744/step, 0.431895 hours remaining, 235.652344 MB of memory in use. ENERGY: 4510200 3988.5492 20463.7014 14560.4210 252.5677 -203267.8453 2495.9089 0.0000 0.0000 52029.2151 -109477.4820 299.0126 -161506.6971 -109119.5711 298.9151 137.1104 173.7484 760064.5890 10.0895 10.1582 PRESSURE: 4510400 -96.0369 -1.31127 162.66 -1.31071 284.803 158.599 162.659 158.6 -395.618 GPRESSURE: 4510400 -8.59213 52.8152 126.423 81.6043 236.639 204.179 118.529 115.135 -358.628 PRESSAVG: 4510400 -80.0105 -1.79153 -20.513 -1.79149 62.9333 -0.240184 -20.513 -0.240095 13.4738 GPRESSAVG: 4510400 -78.2261 -0.783219 -20.7399 -2.62818 62.7328 -0.0404658 -17.7651 -1.64489 12.1343 TIMING: 4510400 CPU: 14261.8, 0.00316922/step Wall: 14261.8, 0.00316922/step, 0.431014 hours remaining, 235.652344 MB of memory in use. ENERGY: 4510400 3980.2140 20347.2738 14519.5098 244.6247 -203350.6346 2604.5916 0.0000 0.0000 52167.9098 -109486.5109 299.8097 -161654.4207 -109122.4895 298.9735 -68.9507 -43.5269 762032.0121 -1.2011 -1.1197 PRESSURE: 4510600 237.889 -71.0218 -301.853 -71.0218 6.88662 30.4309 -301.853 30.4306 60.6459 GPRESSURE: 4510600 261.82 -19.9522 -253.49 -140.449 47.964 28.8328 -275.645 30.964 72.2967 PRESSAVG: 4510600 -12.8484 -13.6495 -32.328 -13.6496 43.3107 3.05927 -32.328 3.0593 -15.961 GPRESSAVG: 4510600 -15.0703 -15.1215 -32.6484 -14.5373 44.2606 3.23506 -32.8183 4.48647 -14.4022 TIMING: 4510600 CPU: 14262.4, 0.00315496/step Wall: 14262.4, 0.00315496/step, 0.428899 hours remaining, 235.652344 MB of memory in use. ENERGY: 4510600 4008.7477 20413.0703 14503.7122 250.1448 -203166.6689 2563.4706 0.0000 0.0000 52157.4364 -109270.0869 299.7495 -161427.5233 -108898.0702 299.4126 101.8072 127.3603 761700.0255 4.8338 4.9294 PRESSURE: 4510800 -90.5839 -29.6746 145.571 -29.6745 157.322 -98.7031 145.57 -98.7032 -160.679 GPRESSURE: 4510800 55.3228 44.1697 35.2077 -32.2559 76.3466 -82.8276 127.447 -86.8558 -131.178 PRESSAVG: 4510800 -39.7168 20.6569 29.9646 20.6569 37.7378 62.5699 29.9646 62.5699 38.1969 GPRESSAVG: 4510800 -39.0192 20.8097 31.5026 22.0257 38.2812 61.4092 28.58 61.492 36.5335 TIMING: 4510800 CPU: 14263.1, 0.00315139/step Wall: 14263.1, 0.00315139/step, 0.428239 hours remaining, 235.652344 MB of memory in use. ENERGY: 4510800 4035.8602 20538.7520 14470.5995 254.7616 -203291.8226 2568.5014 0.0000 0.0000 52213.8675 -109209.4804 300.0738 -161423.3479 -108840.0773 299.4199 -31.3137 0.1637 762239.1142 12.0727 11.9318 PRESSURE: 4511000 -285.329 -64.5952 -82.7818 -64.5953 -386.787 -86.5856 -82.7819 -86.5857 -139.329 GPRESSURE: 4511000 -216.861 1.14445 -37.0606 -6.22789 -367.104 -94.6735 -39.0767 -94.6054 -124.332 PRESSAVG: 4511000 -45.0669 12.7466 -18.3252 12.7467 13.8221 -2.32505 -18.3251 -2.32494 -17.906 GPRESSAVG: 4511000 -43.1021 13.8545 -20.8178 12.0708 12.1025 -1.20478 -17.6149 -2.2776 -17.2426 TIMING: 4511000 CPU: 14263.7, 0.0031347/step Wall: 14263.7, 0.0031347/step, 0.425796 hours remaining, 235.652344 MB of memory in use. ENERGY: 4511000 3979.0430 20532.5492 14493.6722 269.9817 -202906.9039 2278.7172 0.0000 0.0000 52370.5534 -108982.3872 300.9743 -161352.9406 -108618.5212 299.5816 -270.4818 -236.0991 763702.4721 -16.3836 -16.0807 PRESSURE: 4511200 13.1071 -112.324 50.2383 -112.323 172.959 -32.2628 50.2391 -32.2633 -238.412 GPRESSURE: 4511200 34.667 5.20481 2.6911 -140.701 155.678 -36.9909 145.561 -87.5401 -151.811 PRESSAVG: 4511200 52.0489 -25.6085 -42.7376 -25.6085 -34.3887 -9.37452 -42.7376 -9.37455 0.160508 GPRESSAVG: 4511200 51.4621 -26.7481 -40.804 -25.3522 -34.2053 -11.1912 -42.2491 -8.07628 0.549035 TIMING: 4511200 CPU: 14264.3, 0.00314506/step Wall: 14264.3, 0.00314506/step, 0.42703 hours remaining, 235.652344 MB of memory in use. ENERGY: 4511200 3955.1189 20512.3315 14503.6665 245.8013 -203741.8099 2993.5004 0.0000 0.0000 52348.1844 -109183.2069 300.8457 -161531.3913 -108818.9687 300.1331 -17.4488 12.8446 761532.3109 5.9402 5.9353 PRESSURE: 4511400 -450.473 -57.947 82.7543 -57.947 -284.36 -42.8422 82.7537 -42.8428 -313.598 GPRESSURE: 4511400 -394.902 -96.4282 -41.7901 -66.9116 -231.621 1.6193 74.3993 69.0475 -323.826 PRESSAVG: 4511400 -41.8783 -14.3858 -61.8106 -14.3858 35.7449 8.93353 -61.8105 8.93345 -6.713 GPRESSAVG: 4511400 -41.4412 -16.3068 -64.584 -15.1695 36.3091 10.2505 -62.2059 8.62971 -7.98773 TIMING: 4511400 CPU: 14264.9, 0.00315067/step Wall: 14264.9, 0.00315067/step, 0.427616 hours remaining, 235.652344 MB of memory in use. ENERGY: 4511400 4011.1324 20633.6929 14526.1405 237.0016 -202899.4650 2227.5401 0.0000 0.0000 52120.7936 -109143.1639 299.5389 -161263.9575 -108776.2087 299.9343 -349.4771 -316.7830 761875.0917 -4.2821 -4.3733 PRESSURE: 4511600 -32.3628 -38.2133 1.23272 -38.213 86.2996 85.5489 1.23278 85.5479 134.421 GPRESSURE: 4511600 85.4822 -58.8332 -16.8962 -136.505 45.4173 77.8774 31.1975 217.006 143.229 PRESSAVG: 4511600 -12.0126 -42.2789 -14.391 -42.2789 -26.2988 -43.6436 -14.391 -43.6437 8.57232 GPRESSAVG: 4511600 -13.6035 -41.3393 -13.76 -41.0654 -24.8142 -43.8929 -13.2769 -42.8501 8.63335 TIMING: 4511600 CPU: 14265.6, 0.00313878/step Wall: 14265.6, 0.00313878/step, 0.425828 hours remaining, 235.652344 MB of memory in use. ENERGY: 4511600 3970.2543 20755.0773 14471.7253 241.7775 -203631.3516 2983.9118 0.0000 0.0000 52292.8277 -108915.7778 300.5276 -161208.6055 -108556.6992 300.2171 62.7860 91.3762 763158.9600 -9.9130 -9.9281 PRESSURE: 4511800 -463.005 -85.2186 16.2212 -85.2181 58.4342 -84.7661 16.2213 -84.7663 91.4784 GPRESSURE: 4511800 -352.352 -82.0763 108.086 -30.5419 48.5714 -53.0135 -23.4683 12.5208 81.883 PRESSAVG: 4511800 -2.77935 -41.4998 75.4489 -41.4999 -12.402 25.4682 75.4489 25.4681 -21.87 GPRESSAVG: 4511800 -0.863899 -41.2669 75.3565 -43.2252 -14.8461 25.8352 77.5542 23.5651 -21.3002 TIMING: 4511800 CPU: 14266.2, 0.00314052/step Wall: 14266.2, 0.00314052/step, 0.42589 hours remaining, 235.652344 MB of memory in use. ENERGY: 4511800 4044.3060 20542.3844 14555.0419 255.8768 -203443.5813 2857.0236 0.0000 0.0000 52405.2423 -108783.7064 301.1736 -161188.9488 -108422.2028 300.6692 -104.3642 -73.9660 762773.4786 -12.3505 -12.3367 PRESSURE: 4512000 -12.1092 -134.998 -39.4053 -134.999 -175.73 -1.54092 -39.4058 -1.54032 -16.261 GPRESSURE: 4512000 -13.2091 -76.7453 -38.3372 -149.883 -131.597 -5.4212 -6.41263 119.313 21.0153 PRESSAVG: 4512000 7.61588 11.5525 11.7562 11.5524 19.8277 14.9418 11.7562 14.9419 -7.87075 GPRESSAVG: 4512000 6.99698 13.0739 13.4963 12.5549 20.5851 14.802 10.6278 16.0753 -8.14413 TIMING: 4512000 CPU: 14266.8, 0.00313747/step Wall: 14266.8, 0.00313747/step, 0.425301 hours remaining, 235.652344 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: 4512000 4075.8690 20457.3531 14492.3991 241.9583 -203126.4164 2628.9709 0.0000 0.0000 52541.1420 -108688.7241 301.9547 -161229.8660 -108320.3420 301.0060 -68.0333 -41.2637 763102.2229 6.5243 6.4793 PRESSURE: 4512200 -91.1269 50.1427 30.4227 50.1425 -27.305 195.001 30.4224 195.001 -116.871 GPRESSURE: 4512200 -57.6748 -54.5705 5.62592 -6.98082 -4.71594 210.086 -35.5589 182.698 -62.3831 PRESSAVG: 4512200 -3.4464 32.5504 1.0825 32.5504 -6.55706 1.47967 1.08248 1.47967 -6.45965 GPRESSAVG: 4512200 -4.21049 29.9564 0.471663 32.4607 -6.07871 2.51059 -0.573733 -1.00141 -5.98035 TIMING: 4512200 CPU: 14267.5, 0.00316561/step Wall: 14267.5, 0.00316561/step, 0.42894 hours remaining, 235.652344 MB of memory in use. ENERGY: 4512200 4089.9318 20513.6425 14443.1974 260.6766 -203053.7984 2316.4707 0.0000 0.0000 52446.7382 -108983.1412 301.4121 -161429.8794 -108607.9638 300.7478 -78.4341 -41.5913 763443.6122 -5.4877 -5.4232 LDB: ============= START OF LOAD BALANCING ============== 14280 LDB: ============== END OF LOAD BALANCING =============== 14280 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14280 LDB: ============= START OF LOAD BALANCING ============== 14280.3 LDB: Largest compute 7078 load 0.034352 is 17.6% of average load 0.195501 LDB: Average compute 0.004386 is 2.2% of average load 0.195501 LDB: TIME 14280.3 LOAD: AVG 0.195501 MAX 0.212642 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.223 MB LDB: TIME 14280.3 LOAD: AVG 0.195501 MAX 0.212642 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: TIME 14280.3 LOAD: AVG 0.195501 MAX 0.212642 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.223 MB LDB: ============== END OF LOAD BALANCING =============== 14280.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14280.3 PRESSURE: 4512400 -32.8241 -25.8655 63.5649 -25.8653 -175.398 -2.07022 63.5645 -2.06947 -364.509 GPRESSURE: 4512400 -0.277864 -63.8747 32.0005 19.9197 -193.575 44.3629 246.868 3.68948 -307.42 PRESSAVG: 4512400 27.6387 43.9842 -56.9207 43.9842 -3.47714 34.408 -56.9208 34.4081 -7.51916 GPRESSAVG: 4512400 26.8368 44.0728 -56.6465 44.8137 -1.97939 33.6305 -56.7648 34.6725 -8.48008 TIMING: 4512400 CPU: 14268.1, 0.00321645/step Wall: 14268.1, 0.00321645/step, 0.435651 hours remaining, 237.707031 MB of memory in use. ENERGY: 4512400 4024.8406 20450.4752 14545.1766 268.9230 -202958.3064 2222.8278 0.0000 0.0000 52277.5092 -109168.5540 300.4396 -161446.0632 -108793.5964 299.7795 -190.9103 -167.0909 762274.8061 5.5475 5.4591 PRESSURE: 4512600 -60.3907 -53.3467 -175.689 -53.3463 -412.941 -212.373 -175.69 -212.374 -82.2218 GPRESSURE: 4512600 -82.4849 -34.0369 -135.356 -92.0812 -325.951 -288.796 -148.332 -216.172 -72.8239 PRESSAVG: 4512600 45.748 51.1089 -18.5218 51.1089 1.37201 67.6904 -18.5218 67.6904 -5.4251 GPRESSAVG: 4512600 46.9071 52.6188 -18.9997 50.932 0.20379 67.0937 -19.5507 69.7788 -4.67096 TIMING: 4512600 CPU: 14268.7, 0.00315017/step Wall: 14268.7, 0.00315017/step, 0.426498 hours remaining, 237.777344 MB of memory in use. ENERGY: 4512600 3968.9407 20391.5951 14548.9924 273.3233 -203415.6970 2748.8319 0.0000 0.0000 52206.7873 -109277.2263 300.0331 -161484.0136 -108895.0120 299.8601 -185.1845 -160.4198 761626.1009 13.8983 14.1466 PRESSURE: 4512800 171.456 36.2802 129.273 36.2802 -106.708 81.8026 129.273 81.8025 160.609 GPRESSURE: 4512800 116.288 61.9926 141.186 -66.6672 -31.8717 52.8755 132.234 -13.3191 236.401 PRESSAVG: 4512800 -24.262 17.8503 27.9066 17.8504 -21.0967 -8.3249 27.9066 -8.3249 29.2677 GPRESSAVG: 4512800 -24.8962 19.1412 30.6066 14.4119 -21.3105 -8.59447 25.304 -8.98558 29.9371 TIMING: 4512800 CPU: 14269.4, 0.003137/step Wall: 14269.4, 0.003137/step, 0.424541 hours remaining, 238.019531 MB of memory in use. ENERGY: 4512800 4009.8591 20712.0596 14472.2540 256.6452 -203450.5305 2714.6741 0.0000 0.0000 52012.7806 -109272.2579 298.9182 -161285.0385 -108913.1399 299.5380 75.1191 106.9391 761406.6847 -5.3636 -5.4232 PRESSURE: 4513000 -63.4607 -66.1201 87.1561 -66.1203 29.8968 -133.82 87.1563 -133.819 -36.6529 GPRESSURE: 4513000 9.42784 -87.0564 129.278 46.0843 -10.3438 -153.866 31.9536 -58.8782 21.971 PRESSAVG: 4513000 4.83026 42.4618 26.2421 42.4617 -12.2986 1.13719 26.242 1.13721 25.8176 GPRESSAVG: 4513000 6.58689 40.4113 24.2265 46.9629 -12.0829 2.77367 29.563 0.276394 24.2927 TIMING: 4513000 CPU: 14270, 0.00313404/step Wall: 14270, 0.00313404/step, 0.423966 hours remaining, 238.019531 MB of memory in use. ENERGY: 4513000 3986.9465 20528.2012 14497.8082 234.4254 -203373.6337 2824.8633 0.0000 0.0000 51736.0095 -109565.3795 297.3276 -161301.3890 -109199.2841 299.1620 -23.4056 7.0183 762158.8310 6.1164 6.2656 PRESSURE: 4513200 -313.214 63.407 -58.1273 63.4072 65.1341 -133.445 -58.1278 -133.446 -153.701 GPRESSURE: 4513200 -363.213 21.7626 -201.277 -18.077 164.583 -90.4614 -85.6489 -164.968 -129.636 PRESSAVG: 4513200 -28.7521 26.8844 74.027 26.8843 -25.0514 -40.3505 74.0269 -40.3505 -16.9967 GPRESSAVG: 4513200 -30.6939 27.1784 73.1496 24.1615 -24.6427 -40.8241 72.7122 -38.4405 -15.6852 TIMING: 4513200 CPU: 14270.6, 0.00315073/step Wall: 14270.6, 0.00315073/step, 0.426049 hours remaining, 238.019531 MB of memory in use. ENERGY: 4513200 3905.0879 20581.8348 14450.2326 232.4276 -203167.9392 2444.2892 0.0000 0.0000 51909.7755 -109644.2916 298.3262 -161554.0671 -109292.7622 298.7544 -133.9270 -109.4220 762361.2286 -23.6000 -23.6739 PRESSURE: 4513400 597.283 57.2193 -269.582 57.2192 -124.058 75.1277 -269.582 75.1279 -62.4764 GPRESSURE: 4513400 587.18 2.86973 -182.295 -26.1009 -58.1335 3.66178 -137.046 157.734 -38.35 PRESSAVG: 4513400 -33.2672 -18.6206 24.1328 -18.6206 22.85 -1.58717 24.1329 -1.58725 -15.7768 GPRESSAVG: 4513400 -33.6022 -18.233 23.1137 -17.0581 24.0674 -1.29435 26.1766 -0.872492 -16.7473 TIMING: 4513400 CPU: 14271.2, 0.00315237/step Wall: 14271.2, 0.00315237/step, 0.426095 hours remaining, 238.222656 MB of memory in use. ENERGY: 4513400 3958.8110 20471.1860 14463.6423 251.3724 -203614.1204 2891.7641 0.0000 0.0000 52073.1899 -109504.1547 299.2653 -161577.3446 -109138.2701 298.9282 136.9162 163.5656 760764.0277 -8.7313 -8.7607 PRESSURE: 4513600 -322.53 -16.4499 -59.9409 -16.4494 -0.490759 46.2752 -59.9412 46.2742 -166.782 GPRESSURE: 4513600 -295.426 -132.23 -35.3647 29.7861 36.7869 13.6089 -159.621 -33.9211 -167.677 PRESSAVG: 4513600 -3.66567 -40.3241 56.4153 -40.3242 -13.4371 -22.2075 56.4153 -22.2075 8.74847 GPRESSAVG: 4513600 -3.07033 -41.1208 57.4446 -40.8548 -14.832 -24.8038 55.4443 -23.0975 9.61128 TIMING: 4513600 CPU: 14271.9, 0.00315952/step Wall: 14271.9, 0.00315952/step, 0.426887 hours remaining, 238.292969 MB of memory in use. ENERGY: 4513600 3861.5474 20479.0935 14542.4530 254.9203 -202849.8065 2144.1120 0.0000 0.0000 52075.7852 -109491.8952 299.2803 -161567.6803 -109117.8254 299.2981 -163.2676 -142.1055 763302.3102 -2.7848 -2.7637 PRESSURE: 4513800 12.2832 117.207 9.86254 117.207 144.163 -76.5658 9.86372 -76.5653 195.89 GPRESSURE: 4513800 37.377 154.485 -95.5729 132.294 187.967 -92.7583 73.1383 -175.388 210.033 PRESSAVG: 4513800 -50.4908 29.9425 -14.2882 29.9426 28.182 14.9893 -14.2882 14.9892 -20.1576 GPRESSAVG: 4513800 -50.5302 30.4355 -14.0685 28.9774 29.0649 16.1843 -15.5371 13.5093 -21.0758 TIMING: 4513800 CPU: 14272.5, 0.00313394/step Wall: 14272.5, 0.00313394/step, 0.423255 hours remaining, 238.292969 MB of memory in use. ENERGY: 4513800 4003.1646 20476.8579 14471.0126 244.8069 -203500.6776 2886.2097 0.0000 0.0000 51971.3886 -109447.2374 298.6803 -161418.6259 -109092.3936 298.8170 117.4455 145.1258 761570.0865 -14.1555 -14.1804 PRESSURE: 4514000 103.026 180.316 2.03973 180.315 373.384 -31.1705 2.03923 -31.1698 42.028 GPRESSURE: 4514000 108.515 79.0822 63.7016 80.5325 400.01 -57.8935 -75.595 20.4598 107.899 PRESSAVG: 4514000 -38.9984 -2.41936 28.4068 -2.41948 -0.453562 -11.695 28.4068 -11.6949 -15.8802 GPRESSAVG: 4514000 -39.0693 -1.17982 27.0379 -2.53969 -0.761257 -10.3375 29.689 -13.5253 -14.9328 TIMING: 4514000 CPU: 14273.1, 0.00313446/step Wall: 14273.1, 0.00313446/step, 0.423152 hours remaining, 238.292969 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: 4514000 3911.7070 20530.5937 14385.1078 259.7552 -203234.5226 2575.4850 0.0000 0.0000 52123.2296 -109448.6443 299.5529 -161571.8739 -109073.5161 299.3440 172.8127 205.4750 760436.2642 -18.4441 -18.2544 PRESSURE: 4514200 30.6463 84.0716 2.4207 84.0714 88.1754 -246.704 2.42039 -246.705 153.175 GPRESSURE: 4514200 -35.7842 70.6473 24.8156 107.3 160.526 -172.926 -5.04268 -119.223 214.56 PRESSAVG: 4514200 -45.8738 16.9698 38.4774 16.9698 36.0016 3.03005 38.4775 3.03 34.8944 GPRESSAVG: 4514200 -47.3505 17.8093 38.5914 17.4613 36.0486 1.97809 39.1002 5.52433 35.8096 TIMING: 4514200 CPU: 14273.8, 0.00315561/step Wall: 14273.8, 0.00315561/step, 0.425832 hours remaining, 238.292969 MB of memory in use. ENERGY: 4514200 4009.7256 20449.5258 14513.3446 244.0087 -203481.6897 2688.4378 0.0000 0.0000 51956.9094 -109619.7378 298.5971 -161576.6472 -109253.0945 298.8961 90.6655 113.1005 759926.9515 8.3407 8.1692 PRESSURE: 4514400 185.286 -45.1661 415.907 -45.1659 330.794 -35.5428 415.907 -35.543 118.911 GPRESSURE: 4514400 194.164 -50.0646 445.499 -157.825 422.022 23.5078 250.012 -80.2974 73.378 PRESSAVG: 4514400 -75.2053 -71.6079 2.40244 -71.6079 15.3902 11.69 2.40239 11.69 17.4841 GPRESSAVG: 4514400 -74.3517 -72.1907 3.80559 -71.2094 15.7617 12.4317 0.506469 9.83823 16.4 TIMING: 4514400 CPU: 14274.4, 0.00317194/step Wall: 14274.4, 0.00317194/step, 0.427859 hours remaining, 238.292969 MB of memory in use. ENERGY: 4514400 3988.4735 20370.9546 14462.8263 248.6871 -203806.8675 2876.8518 0.0000 0.0000 51976.1279 -109882.9463 298.7075 -161859.0742 -109519.8776 298.5564 211.6636 229.8545 760511.4318 -14.1103 -14.0633 PRESSURE: 4514600 159.321 15.4521 -114.337 15.4525 -272.868 84.5207 -114.336 84.521 -186.317 GPRESSURE: 4514600 156.629 -52.5479 -166.711 142.573 -167.24 66.8549 -107.978 57.194 -200.561 PRESSAVG: 4514600 -9.5584 -11.5033 -30.5777 -11.5033 29.1261 10.6986 -30.5778 10.6985 5.74342 GPRESSAVG: 4514600 -8.97539 -11.4593 -30.3981 -10.8564 29.6869 10.699 -31.2325 11.0762 4.53129 TIMING: 4514600 CPU: 14275, 0.00316474/step Wall: 14275, 0.00316474/step, 0.426712 hours remaining, 238.292969 MB of memory in use. ENERGY: 4514600 4004.9820 20378.6396 14542.2973 243.9518 -203416.0528 2489.6246 0.0000 0.0000 51983.0687 -109773.4886 298.7474 -161756.5574 -109411.0273 298.5825 -99.9548 -70.3907 760087.2433 8.4370 8.4143 PRESSURE: 4514800 -498.082 150.591 -56.3339 150.592 -249.241 -119.93 -56.3329 -119.929 -151.759 GPRESSURE: 4514800 -442.83 268.873 -74.852 148.879 -187.45 -127.257 -62.5549 -101.481 -185.7 PRESSAVG: 4514800 -95.7751 0.207246 14.9218 0.20726 64.0334 48.155 14.9218 48.155 -14.6171 GPRESSAVG: 4514800 -95.6384 1.01067 16.4272 -1.5762 62.8637 47.4596 14.6598 48.6399 -13.3691 TIMING: 4514800 CPU: 14275.7, 0.00314027/step Wall: 14275.7, 0.00314027/step, 0.423239 hours remaining, 238.292969 MB of memory in use. ENERGY: 4514800 3975.1398 20248.1562 14528.7002 230.5875 -203074.4476 2241.3081 0.0000 0.0000 51910.9890 -109939.5668 298.3332 -161850.5558 -109568.8748 298.2984 -299.6943 -271.9934 761148.2383 -15.4529 -15.3813 PRESSURE: 4515000 -305.393 247.503 351.95 247.504 -143.964 76.4641 351.952 76.4633 -191.544 GPRESSURE: 4515000 -226.089 151.135 383.909 71.7349 -86.8038 153.876 233.901 186.653 -253.462 PRESSAVG: 4515000 -38.2953 48.3818 -30.7385 48.3818 35.5605 32.9881 -30.7385 32.9881 16.8637 GPRESSAVG: 4515000 -38.1485 48.069 -31.5816 48.8841 35.7958 31.9519 -31.3661 35.1096 16.4174 TIMING: 4515000 CPU: 14276.3, 0.00314869/step Wall: 14276.3, 0.00314869/step, 0.424199 hours remaining, 238.292969 MB of memory in use. ENERGY: 4515000 3957.7354 20383.3823 14521.6574 242.9336 -203087.4079 2254.8492 0.0000 0.0000 51818.0176 -109908.8324 297.7989 -161726.8500 -109549.1713 298.0745 -213.6338 -188.7849 760639.2797 4.7096 4.6882 PRESSURE: 4515200 45.0005 -122.997 156.466 -122.997 -108.344 104.391 156.466 104.392 142.385 GPRESSURE: 4515200 137.296 -81.9948 134.101 -89.9626 -133.909 139.5 220.753 113.561 170.092 PRESSAVG: 4515200 -20.4947 19.9697 -5.37255 19.9696 98.9408 5.63484 -5.37248 5.63476 19.3784 GPRESSAVG: 4515200 -21.0883 18.3438 -6.48348 21.1338 98.6884 7.1396 -4.11559 5.22147 19.9378 TIMING: 4515200 CPU: 14276.9, 0.00315576/step Wall: 14276.9, 0.00315576/step, 0.424976 hours remaining, 238.292969 MB of memory in use. ENERGY: 4515200 3948.6339 20204.2675 14456.7972 244.6044 -203461.0255 2747.6023 0.0000 0.0000 52043.6825 -109815.4377 299.0958 -161859.1202 -109457.3807 298.4192 26.3471 57.8262 762164.7926 32.6082 32.5127 PRESSURE: 4515400 39.0441 -186.694 30.5565 -186.694 161.775 32.1215 30.5562 32.1212 13.4739 GPRESSURE: 4515400 119.515 -218.913 -11.4862 -150.469 196.023 -33.0665 40.0503 141.17 11.5142 PRESSAVG: 4515400 -68.8957 36.0429 -13.2895 36.0429 27.1403 -37.3609 -13.2895 -37.361 -24.8786 GPRESSAVG: 4515400 -67.9938 36.8295 -12.2236 36.2765 27.6268 -37.4491 -12.8709 -39.958 -26.1106 TIMING: 4515400 CPU: 14277.6, 0.00314895/step Wall: 14277.6, 0.00314895/step, 0.423884 hours remaining, 238.347656 MB of memory in use. ENERGY: 4515400 3950.0276 20358.7266 14422.3133 246.6024 -202984.4102 2456.0661 0.0000 0.0000 51826.2557 -109724.4186 297.8462 -161550.6743 -109361.1471 298.5814 71.4309 109.0174 761125.7288 -22.2113 -22.1592 PRESSURE: 4515600 -15.2981 21.1318 -77.3871 21.132 74.2607 -161.548 -77.3873 -161.548 -279.402 GPRESSURE: 4515600 24.1504 9.7239 -53.3184 -91.7278 39.7896 -151.384 -79.4097 -235.906 -184.912 PRESSAVG: 4515600 -28.9927 5.22997 -19.5607 5.22996 53.2114 -16.1775 -19.5606 -16.1775 -18.9216 GPRESSAVG: 4515600 -30.7131 4.69927 -18.5794 5.25715 54.3716 -16.181 -22.2841 -14.582 -18.7146 TIMING: 4515600 CPU: 14278.2, 0.00314113/step Wall: 14278.2, 0.00314113/step, 0.422656 hours remaining, 238.347656 MB of memory in use. ENERGY: 4515600 4014.0239 20488.0092 14488.5387 225.9128 -203580.7238 2497.9308 0.0000 0.0000 52269.6461 -109596.6623 300.3944 -161866.3084 -109238.6645 298.7738 -73.4797 -40.3241 758625.8004 1.7657 1.6480 PRESSURE: 4515800 -357.045 -66.6844 -57.0182 -66.6848 138.603 -136.381 -57.0182 -136.381 -37.8894 GPRESSURE: 4515800 -371.144 -48.4839 -51.8562 -22.4856 238.184 -156.813 -5.00915 19.6952 -39.3404 PRESSAVG: 4515800 -71.437 48.0001 30.1491 48.0001 95.0139 -17.2533 30.1491 -17.2533 7.62948 GPRESSAVG: 4515800 -72.0335 48.7891 28.3713 48.1376 93.7584 -17.8903 33.1003 -16.8159 9.0818 TIMING: 4515800 CPU: 14278.8, 0.00315993/step Wall: 14278.8, 0.00315993/step, 0.42501 hours remaining, 238.347656 MB of memory in use. ENERGY: 4515800 4057.5587 20323.4626 14510.3200 272.0303 -202995.9011 2269.0537 0.0000 0.0000 52057.8248 -109505.6511 299.1770 -161563.4758 -109146.2420 299.6091 -85.4439 -57.4334 760848.2539 10.4021 10.2689 PRESSURE: 4516000 252.082 145.497 -0.822677 145.496 178.296 97.7636 -0.822238 97.7635 178.888 GPRESSURE: 4516000 349.22 205.775 63.2601 75.8607 122.7 81.36 -64.0868 76.2821 230.492 PRESSAVG: 4516000 -41.4324 38.7278 -0.113211 38.7279 34.2139 -1.79049 -0.113285 -1.79047 -14.9119 GPRESSAVG: 4516000 -40.3396 38.8296 0.303196 38.0676 34.0019 -1.98022 -1.62091 -1.57878 -15.9478 TIMING: 4516000 CPU: 14279.4, 0.00314838/step Wall: 14279.4, 0.00314838/step, 0.423283 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: 4516000 3932.5294 20575.2402 14466.7491 243.2758 -203546.8813 2596.1565 0.0000 0.0000 52312.8287 -109420.1017 300.6425 -161732.9303 -109050.2538 299.4745 203.0886 234.1373 760185.3558 -7.3768 -7.4285 PRESSURE: 4516200 -64.005 -224.263 -301.211 -224.264 -261.875 -208.986 -301.21 -208.984 357.825 GPRESSURE: 4516200 -28.3449 -185.05 -305.174 -136.565 -255.463 -175.322 -295.634 -134.964 419.548 PRESSAVG: 4516200 17.3464 -3.97968 8.89342 -3.97975 -16.4403 0.22304 8.89338 0.22302 7.36958 GPRESSAVG: 4516200 16.9465 -3.48281 8.8494 -3.02692 -16.0139 -0.00589596 10.6187 -1.14919 7.45691 TIMING: 4516200 CPU: 14280.1, 0.00313997/step Wall: 14280.1, 0.00313997/step, 0.421977 hours remaining, 238.347656 MB of memory in use. ENERGY: 4516200 3978.9871 20568.5796 14467.8593 251.4638 -203180.2003 2510.9063 0.0000 0.0000 52203.9194 -109198.4847 300.0166 -161402.4042 -108826.4584 299.8672 10.6483 45.2467 762482.3997 2.7586 2.7965 LDB: ============= START OF LOAD BALANCING ============== 14292.6 LDB: ============== END OF LOAD BALANCING =============== 14292.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14292.6 LDB: ============= START OF LOAD BALANCING ============== 14292.9 LDB: Largest compute 7077 load 0.035171 is 18.0% of average load 0.195555 LDB: Average compute 0.004388 is 2.2% of average load 0.195555 LDB: TIME 14292.9 LOAD: AVG 0.195555 MAX 0.213257 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.992 MB LDB: TIME 14292.9 LOAD: AVG 0.195555 MAX 0.213257 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.992 MB LDB: TIME 14292.9 LOAD: AVG 0.195555 MAX 0.213257 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.992 MB LDB: ============== END OF LOAD BALANCING =============== 14292.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14292.9 PRESSURE: 4516400 171.641 137.987 158.898 137.988 202.163 -158.458 158.899 -158.459 158.551 GPRESSURE: 4516400 230.419 123.707 128.936 35.9533 187.475 -173.002 206.093 -162.458 195.738 PRESSAVG: 4516400 -38.0222 26.4375 -3.9736 26.4376 47.6483 -5.63853 -3.97361 -5.63848 2.49015 GPRESSAVG: 4516400 -38.6736 26.5249 -3.1605 25.9597 48.9763 -4.83906 -5.05545 -3.6342 1.5876 TIMING: 4516400 CPU: 14280.7, 0.00322791/step Wall: 14280.7, 0.00322791/step, 0.433615 hours remaining, 235.394531 MB of memory in use. ENERGY: 4516400 3968.8807 20375.4701 14555.0055 253.9461 -203170.7173 2599.2059 0.0000 0.0000 52240.6507 -109177.5582 300.2277 -161418.2090 -108807.1349 300.1026 177.4518 204.5440 760896.4137 4.0388 3.9634 PRESSURE: 4516600 67.6931 31.2169 -68.8516 31.2166 160.538 83.5334 -68.8506 83.5327 147.775 GPRESSURE: 4516600 70.4091 -22.725 -105.456 -86.0609 204.652 97.1426 -73.2862 89.9656 175.778 PRESSAVG: 4516600 -36.4421 16.1917 -4.78514 16.1917 45.4166 41.5281 -4.78508 41.5282 25.3615 GPRESSAVG: 4516600 -35.8949 15.3106 -5.01068 17.2203 44.264 43.5778 -5.67264 40.5458 26.2229 TIMING: 4516600 CPU: 14281.3, 0.00315273/step Wall: 14281.3, 0.00315273/step, 0.423341 hours remaining, 235.394531 MB of memory in use. ENERGY: 4516600 3944.8949 20758.7664 14394.5796 232.7533 -203171.5288 2572.1529 0.0000 0.0000 52026.0230 -109242.3587 298.9943 -161268.3817 -108892.3914 299.5422 125.3355 150.2796 760775.1329 11.4453 11.5307 PRESSURE: 4516800 -222.459 164.012 -59.9876 164.012 268.753 99.7516 -59.9875 99.7519 6.59191 GPRESSURE: 4516800 -111.999 102.197 -51.9857 59.9595 255.982 89.0175 29.2426 134.113 -13.7898 PRESSAVG: 4516800 -9.25969 -20.17 78.4116 -20.17 14.9701 16.8339 78.4115 16.8338 -5.41699 GPRESSAVG: 4516800 -8.72266 -20.6559 78.3264 -21.3297 15.837 12.2854 79.4946 16.4805 -6.41851 TIMING: 4516800 CPU: 14282, 0.00315562/step Wall: 14282, 0.00315562/step, 0.423555 hours remaining, 235.636719 MB of memory in use. ENERGY: 4516800 3952.5333 20464.7900 14478.2239 251.5349 -203439.9735 2650.5889 0.0000 0.0000 52115.4615 -109526.8409 299.5083 -161642.3025 -109167.3499 299.6521 17.6286 43.3977 760347.7908 0.0978 0.2320 PRESSURE: 4517000 -358.397 -74.2493 143.101 -74.2498 -194.27 -170.98 143.101 -170.98 322.747 GPRESSURE: 4517000 -294.043 -58.1314 141.842 -26.5376 -159.391 -208.303 139.303 -66.5168 331.289 PRESSAVG: 4517000 -19.7388 66.9149 -72.9027 66.9149 24.4235 -14.4784 -72.9027 -14.4784 -21.7943 GPRESSAVG: 4517000 -21.0016 67.4606 -72.9753 65.7119 25.1632 -13.963 -71.3281 -14.0488 -21.6122 TIMING: 4517000 CPU: 14282.6, 0.00313876/step Wall: 14282.6, 0.00313876/step, 0.421117 hours remaining, 235.636719 MB of memory in use. ENERGY: 4517000 3991.2086 20448.7133 14535.4938 235.4163 -202987.2662 2174.6463 0.0000 0.0000 52141.5120 -109460.2761 299.6580 -161601.7881 -109084.1983 299.2518 -76.6401 -40.7150 763274.7003 -5.7032 -5.8169 PRESSURE: 4517200 106.979 12.3721 -97.3069 12.3724 331.761 -0.0224469 -97.3067 -0.0219297 -155.257 GPRESSURE: 4517200 134.881 121.81 -52.3298 15.2062 336.054 -79.1824 -127.376 -9.99005 -119.146 PRESSAVG: 4517200 12.2473 30.1838 -18.8894 30.1838 34.943 11.6545 -18.8895 11.6544 3.1026 GPRESSAVG: 4517200 13.6534 30.9953 -19.6757 31.9227 34.1903 12.1627 -20.0022 11.6929 3.17364 TIMING: 4517200 CPU: 14283.2, 0.00313859/step Wall: 14283.2, 0.00313859/step, 0.42092 hours remaining, 235.703125 MB of memory in use. ENERGY: 4517200 3960.3822 20581.9163 14501.2142 267.8208 -203897.7126 2896.7810 0.0000 0.0000 52293.2911 -109396.3069 300.5303 -161689.5981 -109030.2002 300.1261 94.4946 117.2628 760394.4825 16.7643 17.0058 PRESSURE: 4517400 452.428 165.394 229.978 165.393 104.164 174.127 229.978 174.127 -199.385 GPRESSURE: 4517400 424.374 146.059 318.347 150.37 139.358 252.893 52.5506 98.8181 -133.958 PRESSAVG: 4517400 -32.5942 -13.9342 -14.0854 -13.9342 64.8212 -14.7388 -14.0855 -14.7389 2.43873 GPRESSAVG: 4517400 -32.4577 -13.3322 -14.942 -15.2174 64.3477 -13.0265 -14.3305 -13.81 3.21024 TIMING: 4517400 CPU: 14283.9, 0.00314005/step Wall: 14283.9, 0.00314005/step, 0.420942 hours remaining, 235.703125 MB of memory in use. ENERGY: 4517400 4016.6392 20369.4968 14465.7037 245.5708 -203566.3674 2846.4734 0.0000 0.0000 52097.5328 -109524.9506 299.4052 -161622.4834 -109153.8348 299.8364 119.0692 143.2582 762403.0592 11.5552 11.7001 PRESSURE: 4517600 -205.594 427.861 234.303 427.862 -320.118 -62.3866 234.303 -62.3864 245.938 GPRESSURE: 4517600 -272.072 263.631 338.521 448.017 -122.975 -73.2931 237.525 -51.005 217.105 PRESSAVG: 4517600 17.1851 32.6548 -10.405 32.6547 -33.8487 -68.297 -10.4049 -68.297 17.4204 GPRESSAVG: 4517600 17.1697 31.8251 -8.33096 33.484 -32.0339 -68.4165 -9.29125 -69.918 16.4418 TIMING: 4517600 CPU: 14284.5, 0.00315594/step Wall: 14284.5, 0.00315594/step, 0.422896 hours remaining, 235.703125 MB of memory in use. ENERGY: 4517600 4016.2370 20603.9746 14416.8816 252.8027 -203131.7092 2503.5946 0.0000 0.0000 51728.8570 -109609.3617 297.2865 -161338.2187 -109265.6783 298.9038 -93.2580 -59.3140 762649.6598 0.2523 0.5259 PRESSURE: 4517800 -309.941 -76.7446 -379.662 -76.7445 155.631 121.065 -379.663 121.066 -102.398 GPRESSURE: 4517800 -309.96 -57.6284 -361.812 -12.0061 189.832 144.226 -383.275 145.149 -38.7809 PRESSAVG: 4517800 18.6937 -6.66395 -1.09483 -6.66404 19.2046 5.41819 -1.0948 5.41814 24.9545 GPRESSAVG: 4517800 18.8747 -5.73628 -3.11455 -6.08022 17.7023 4.6564 -0.0630489 6.28235 26.288 TIMING: 4517800 CPU: 14285.1, 0.00317323/step Wall: 14285.1, 0.00317323/step, 0.425036 hours remaining, 235.703125 MB of memory in use. ENERGY: 4517800 4037.5181 20388.4974 14557.2455 259.5489 -203814.7962 2782.6727 0.0000 0.0000 52330.6974 -109458.6162 300.7452 -161789.3136 -109091.9677 299.0571 -85.5695 -52.9700 761700.0459 20.9509 20.9550 PRESSURE: 4518000 -85.2902 37.0602 71.2806 37.0595 -246.801 88.5627 71.281 88.5633 -329.786 GPRESSURE: 4518000 -114.075 21.2557 31.3517 -79.6516 -182.476 43.5514 87.5059 -94.8541 -265.413 PRESSAVG: 4518000 9.1549 -10.5535 -0.19442 -10.5534 12.4296 -9.80669 -0.194439 -9.80671 -3.13724 GPRESSAVG: 4518000 9.97966 -9.92952 2.01104 -11.0045 12.2117 -8.831 -1.12391 -10.2132 -3.78875 TIMING: 4518000 CPU: 14285.8, 0.00319144/step Wall: 14285.8, 0.00319144/step, 0.427298 hours remaining, 235.703125 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: 4518000 4027.6801 20451.6049 14483.9687 225.8793 -203354.0581 2495.6793 0.0000 0.0000 52139.9065 -109529.3393 299.6488 -161669.2457 -109166.6170 299.2859 -220.6255 -187.3213 761379.6062 6.1491 6.1342 PRESSURE: 4518200 -17.6859 -4.42089 -236.696 -4.42069 -110.701 -93.8815 -236.696 -93.8825 73.9651 GPRESSURE: 4518200 16.7597 128.429 -157.87 -8.49983 -80.1839 -156.177 -166.036 16.1859 93.8969 PRESSAVG: 4518200 37.2218 12.0405 -42.2368 12.0405 -61.7404 -6.86982 -42.2368 -6.86977 -8.70975 GPRESSAVG: 4518200 36.9416 9.29828 -44.4313 14.6913 -60.3991 -8.72355 -41.8423 -7.56192 -9.41365 TIMING: 4518200 CPU: 14286.4, 0.00316035/step Wall: 14286.4, 0.00316035/step, 0.422961 hours remaining, 235.703125 MB of memory in use. ENERGY: 4518200 4076.9714 20516.6297 14455.4039 240.0780 -203385.4221 2556.8396 0.0000 0.0000 52050.7835 -109488.7162 299.1366 -161539.4997 -109124.7932 299.4713 -18.1406 10.1576 762063.5906 -11.0761 -10.9570 PRESSURE: 4518400 257.458 -128.61 -188.987 -128.61 142.145 -58.0306 -188.986 -58.0298 73.6081 GPRESSURE: 4518400 276.725 -156.651 -225.553 -74.4474 216.669 -28.2815 -274.92 48.2953 37.4368 PRESSAVG: 4518400 26.8829 -3.98277 -18.5608 -3.98274 0.451717 12.7285 -18.5608 12.7285 13.3624 GPRESSAVG: 4518400 26.9923 -2.63331 -18.1838 -5.9931 0.169965 14.2501 -18.818 13.6835 12.8368 TIMING: 4518400 CPU: 14287, 0.00314449/step Wall: 14287, 0.00314449/step, 0.420663 hours remaining, 235.703125 MB of memory in use. ENERGY: 4518400 4087.0705 20560.8569 14506.2902 249.7096 -203443.0288 2695.6869 0.0000 0.0000 51968.7514 -109374.6633 298.6651 -161343.4147 -109016.7916 299.1987 157.7371 176.9437 760119.0269 13.5657 13.3330 PRESSURE: 4518600 -322.059 -124.306 60.6618 -124.306 -170.374 -168.115 60.6618 -168.115 -273.605 GPRESSURE: 4518600 -255.064 -180.27 83.6315 -85.6963 -225.627 -145.145 205.955 -187.235 -222.615 PRESSAVG: 4518600 60.3966 -29.4435 -25.3333 -29.4435 -61.1868 -29.802 -25.3332 -29.802 -6.36759 GPRESSAVG: 4518600 61.0626 -27.8044 -24.5992 -31.0297 -61.9536 -27.9362 -24.4676 -31.2339 -6.13132 TIMING: 4518600 CPU: 14287.7, 0.00318927/step Wall: 14287.7, 0.00318927/step, 0.426477 hours remaining, 235.703125 MB of memory in use. ENERGY: 4518600 4030.9556 20473.9655 14501.5685 244.2065 -203326.5364 2597.9130 0.0000 0.0000 52102.8901 -109375.0371 299.4360 -161477.9272 -108994.5017 299.2807 -255.3459 -234.4352 763312.6753 -2.3859 -2.3407 PRESSURE: 4518800 -161.9 128.991 88.0439 128.991 -58.8264 27.4071 88.0438 27.4059 155.787 GPRESSURE: 4518800 -105.592 46.8234 95.8656 61.2817 -12.8052 68.8933 28.8826 -30.9666 140.884 PRESSAVG: 4518800 26.9642 -0.315837 -6.11848 -0.315862 -23.4526 -35.1146 -6.11848 -35.1146 13.2502 GPRESSAVG: 4518800 26.8978 -1.8467 -4.9939 1.12877 -22.9898 -34.8923 -7.61094 -33.8192 13.1973 TIMING: 4518800 CPU: 14288.3, 0.00320265/step Wall: 14288.3, 0.00320265/step, 0.428087 hours remaining, 235.703125 MB of memory in use. ENERGY: 4518800 3998.9307 20537.3763 14500.4304 259.2161 -203572.3015 2786.8286 0.0000 0.0000 52193.8348 -109295.6845 299.9587 -161489.5192 -108931.5107 299.5338 -21.6465 7.4955 761590.8246 5.5873 5.7017 PRESSURE: 4519000 403.308 -35.0178 183.139 -35.0172 49.1084 35.2171 183.139 35.2168 241.263 GPRESSURE: 4519000 482.56 24.3597 182.995 -32.5369 -3.18471 91.0093 95.5037 3.33384 306.209 PRESSAVG: 4519000 16.258 -7.12495 15.9685 -7.12505 -37.1673 -14.0185 15.9684 -14.0185 -2.13419 GPRESSAVG: 4519000 16.1747 -6.47276 14.1929 -8.5366 -37.4218 -15.508 18.6402 -13.6898 -1.60611 TIMING: 4519000 CPU: 14288.9, 0.0031749/step Wall: 14288.9, 0.0031749/step, 0.424202 hours remaining, 235.703125 MB of memory in use. ENERGY: 4519000 4057.8798 20457.1797 14501.9596 270.2267 -203288.6246 2622.5884 0.0000 0.0000 52088.7911 -109289.9992 299.3550 -161378.7903 -108928.4525 299.4083 231.2264 261.8614 760837.4499 -7.6812 -7.6177 PRESSURE: 4519200 94.9016 211.956 300.818 211.956 14.012 287.943 300.818 287.943 46.2818 GPRESSURE: 4519200 104.318 196.543 325.33 81.4763 19.1823 203.881 248.334 158.489 126.002 PRESSAVG: 4519200 34.3759 11.6106 26.812 11.6106 -30.7328 0.647405 26.8119 0.647327 1.62075 GPRESSAVG: 4519200 32.774 10.101 27.7175 12.9545 -29.951 -0.38369 23.4111 -0.963469 2.94521 TIMING: 4519200 CPU: 14289.6, 0.00316977/step Wall: 14289.6, 0.00316977/step, 0.423341 hours remaining, 235.703125 MB of memory in use. ENERGY: 4519200 3897.2425 20654.2137 14567.6738 240.0268 -203220.3203 2538.2888 0.0000 0.0000 52048.6668 -109274.2081 299.1244 -161322.8749 -108906.7365 299.8028 51.7318 83.1674 763214.3972 1.7546 1.9227 PRESSURE: 4519400 -210.771 -37.8437 -156.191 -37.8431 63.515 7.67468 -156.191 7.67514 320.642 GPRESSURE: 4519400 -104.834 -12.2143 -167.774 -94.2973 26.8942 -22.4166 -63.8714 -25.0867 323.282 PRESSAVG: 4519400 20.3728 8.76976 -88.4842 8.76978 -32.0739 4.27608 -88.4841 4.27613 -14.9138 GPRESSAVG: 4519400 22.7773 9.88547 -89.3088 8.89694 -32.9139 6.13261 -86.8188 5.31197 -16.061 TIMING: 4519400 CPU: 14290.2, 0.00317033/step Wall: 14290.2, 0.00317033/step, 0.423239 hours remaining, 235.703125 MB of memory in use. ENERGY: 4519400 3941.9515 20544.1237 14513.8980 226.8993 -203229.1734 2563.9910 0.0000 0.0000 51959.0634 -109479.2465 298.6095 -161438.3099 -109115.9772 299.2243 57.7952 81.7807 763386.9173 -8.8716 -8.7326 PRESSURE: 4519600 252.126 313.513 -276.311 313.512 254.808 85.1442 -276.311 85.1439 156.039 GPRESSURE: 4519600 206.081 293.572 -359.456 281.923 394.997 13.1086 -309.988 -87.6312 140.293 PRESSAVG: 4519600 12.2635 -9.29437 9.98285 -9.29441 -7.33343 -23.1183 9.98284 -23.1183 -12.7129 GPRESSAVG: 4519600 10.9107 -6.63659 11.0573 -9.79523 -7.22539 -23.8045 8.84127 -23.9338 -11.7147 TIMING: 4519600 CPU: 14290.8, 0.00315652/step Wall: 14290.8, 0.00315652/step, 0.42122 hours remaining, 235.703125 MB of memory in use. ENERGY: 4519600 3926.8699 20401.5559 14556.1841 240.6988 -203335.8901 2615.2239 0.0000 0.0000 51923.1289 -109672.2288 298.4029 -161595.3577 -109311.3308 298.8614 220.9909 247.1240 762743.7303 -2.5943 -2.6765 PRESSURE: 4519800 -145.731 -4.31222 -192.419 -4.31261 -319.91 59.5275 -192.419 59.5265 48.5494 GPRESSURE: 4519800 -193.299 -55.2507 -119.647 53.4246 -187.666 82.0836 -231.648 -6.10336 51.6051 PRESSAVG: 4519800 -26.3481 8.75333 37.0465 8.75329 -8.89163 47.1547 37.0465 47.1546 18.5298 GPRESSAVG: 4519800 -25.6423 7.12548 38.1426 9.52892 -8.83431 48.6995 37.2319 48.4353 17.9383 TIMING: 4519800 CPU: 14291.5, 0.00316684/step Wall: 14291.5, 0.00316684/step, 0.422422 hours remaining, 235.703125 MB of memory in use. ENERGY: 4519800 4039.4152 20393.7217 14509.7243 241.8816 -202972.4715 2311.5100 0.0000 0.0000 51937.7520 -109538.4667 298.4870 -161476.2187 -109177.6264 298.3474 -139.0306 -109.7866 762973.2820 -5.5700 -5.5128 PRESSURE: 4520000 80.3092 183.367 57.7767 183.366 188.167 -184.013 57.7765 -184.013 -97.9539 GPRESSURE: 4520000 31.8602 221.207 13.8598 120.689 263.832 -37.7371 25.3106 -207.235 -44.7162 PRESSAVG: 4520000 16.6788 28.7557 -1.33962 28.7558 3.41004 -3.5591 -1.33961 -3.55908 10.1492 GPRESSAVG: 4520000 16.1073 28.42 -1.02427 27.0928 3.5933 -3.39322 -2.23045 -4.31644 9.8678 TIMING: 4520000 CPU: 14292.1, 0.00315647/step Wall: 14292.1, 0.00315647/step, 0.420862 hours remaining, 235.703125 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: 4520000 3983.2894 20581.7414 14535.1766 265.3633 -203341.8493 2807.9876 0.0000 0.0000 51762.7337 -109405.5574 297.4811 -161168.2911 -109051.3670 298.4632 56.8408 83.6588 761834.8046 10.0794 9.8561 PRESSURE: 4520200 -166.99 45.9255 -184.807 45.9261 58.6491 -109.181 -184.808 -109.181 -199.919 GPRESSURE: 4520200 -78.0368 43.8541 -174.314 236.312 35.3306 -106.885 -180.767 -242.031 -181.778 PRESSAVG: 4520200 25.3039 16.278 -37.993 16.278 -27.6274 20.1352 -37.993 20.1353 -11.7236 GPRESSAVG: 4520200 25.6448 13.895 -39.6187 19.1405 -27.478 18.9993 -35.4934 21.2186 -12.1231 TIMING: 4520200 CPU: 14292.7, 0.00316056/step Wall: 14292.7, 0.00316056/step, 0.421233 hours remaining, 235.703125 MB of memory in use. ENERGY: 4520200 3936.8724 20573.1318 14465.5996 239.1286 -202907.1126 2379.6896 0.0000 0.0000 51973.5943 -109339.0963 298.6930 -161312.6906 -108984.7092 299.1060 -102.7531 -74.8282 762326.2448 -4.6824 -4.6521 LDB: ============= START OF LOAD BALANCING ============== 14305.3 LDB: ============== END OF LOAD BALANCING =============== 14305.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14305.3 LDB: ============= START OF LOAD BALANCING ============== 14305.6 LDB: Largest compute 7077 load 0.032156 is 16.4% of average load 0.195555 LDB: Average compute 0.004384 is 2.2% of average load 0.195555 LDB: TIME 14305.6 LOAD: AVG 0.195555 MAX 0.212407 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.914 MB LDB: TIME 14305.6 LOAD: AVG 0.195555 MAX 0.212407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.984 MB LDB: TIME 14305.6 LOAD: AVG 0.195555 MAX 0.212407 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.984 MB LDB: ============== END OF LOAD BALANCING =============== 14305.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14305.6 PRESSURE: 4520400 49.1097 92.6482 318.013 92.6483 -194.7 28.5018 318.012 28.502 44.033 GPRESSURE: 4520400 64.2466 153.114 238.751 160.385 -136.084 -29.2536 349.99 60.547 48.8147 PRESSAVG: 4520400 -10.6366 48.1209 14.0689 48.1209 19.3379 8.2794 14.0689 8.27947 16.97 GPRESSAVG: 4520400 -9.87557 49.7619 13.1004 47.1936 18.7836 9.06369 15.3091 6.64328 16.9156 TIMING: 4520400 CPU: 14293.4, 0.00323379/step Wall: 14293.4, 0.00323379/step, 0.430813 hours remaining, 234.882812 MB of memory in use. ENERGY: 4520400 4045.8804 20370.6853 14417.0413 254.6663 -202946.2404 2509.5600 0.0000 0.0000 52008.1952 -109340.2119 298.8918 -161348.4071 -108971.1862 298.8588 -33.8524 -7.6742 761714.1068 8.5571 8.6079 PRESSURE: 4520600 39.3454 -13.1486 -18.5527 -13.1486 386.941 72.4514 -18.553 72.4531 -225.361 GPRESSURE: 4520600 99.5464 -89.3089 55.0653 -41.5322 328.856 72.1728 -60.3073 154.261 -129.56 PRESSAVG: 4520600 -87.5781 47.7262 27.8274 47.7263 41.5923 27.82 27.8275 27.82 -3.92429 GPRESSAVG: 4520600 -89.5659 47.8708 28.2133 46.9488 42.7652 26.6952 24.6063 28.902 -2.85437 TIMING: 4520600 CPU: 14294, 0.00317951/step Wall: 14294, 0.00317951/step, 0.423405 hours remaining, 235.125000 MB of memory in use. ENERGY: 4520600 4004.1053 20401.3375 14457.9681 243.7355 -203002.4640 2660.3681 0.0000 0.0000 51675.4243 -109559.5252 296.9794 -161234.9496 -109200.3364 298.4246 66.9754 99.6140 762510.9583 -16.6367 -16.5517 PRESSURE: 4520800 254.965 -136.798 185.77 -136.796 -37.2988 -9.74649 185.769 -9.74617 -52.2849 GPRESSURE: 4520800 312.214 -38.771 110.53 -43.8211 -29.6366 -94.994 324.206 -61.529 -30.792 PRESSAVG: 4520800 9.53994 48.9981 10.7707 48.9981 -0.426099 29.9572 10.7707 29.9572 28.6952 GPRESSAVG: 4520800 10.8397 49.4234 11.9154 48.7985 -1.02277 29.8058 13.0684 29.4869 27.5126 TIMING: 4520800 CPU: 14294.6, 0.00314044/step Wall: 14294.6, 0.00314044/step, 0.418027 hours remaining, 235.125000 MB of memory in use. ENERGY: 4520800 4040.8966 20286.5144 14445.2762 255.2836 -203554.0200 2724.2668 0.0000 0.0000 52251.3155 -109550.4668 300.2890 -161801.7823 -109191.0923 298.4930 55.1271 83.9283 760791.1407 12.6030 12.4432 PRESSURE: 4521000 85.444 -134.878 -151.092 -134.879 -58.7408 -95.3289 -151.092 -95.3293 436.501 GPRESSURE: 4521000 101.896 -186.301 -82.1438 -124.721 -34.2013 -100.681 -198.019 -116.24 477.26 PRESSAVG: 4521000 52.5526 59.9122 24.1226 59.9121 -16.8529 -10.022 24.1226 -10.022 -2.53628 GPRESSAVG: 4521000 52.247 59.691 25.6004 59.8548 -16.3407 -9.14728 23.7133 -9.1795 -2.69314 TIMING: 4521000 CPU: 14295.3, 0.00318255/step Wall: 14295.3, 0.00318255/step, 0.423457 hours remaining, 235.125000 MB of memory in use. ENERGY: 4521000 4000.8251 20401.1903 14531.4913 222.5411 -203264.4701 2643.6885 0.0000 0.0000 52017.4816 -109447.2521 298.9452 -161464.7337 -109090.1776 298.6809 154.4015 181.6516 761115.3575 11.0545 11.0710 PRESSURE: 4521200 24.7761 137.219 -133.11 137.22 -246.91 -203.609 -133.11 -203.609 -108.967 GPRESSURE: 4521200 51.7473 89.8012 -179.979 76.6491 -157.21 -181.686 -23.0542 -171.113 -141.132 PRESSAVG: 4521200 29.4107 -17.526 19.9667 -17.526 -10.9662 -82.3369 19.9667 -82.3369 11.8016 GPRESSAVG: 4521200 29.4063 -17.7718 17.0794 -17.4375 -11.1196 -82.3608 20.86 -81.5487 12.1429 TIMING: 4521200 CPU: 14295.9, 0.00317926/step Wall: 14295.9, 0.00317926/step, 0.422841 hours remaining, 235.125000 MB of memory in use. ENERGY: 4521200 4025.1653 20445.7185 14639.4377 247.2542 -203314.7544 2695.4786 0.0000 0.0000 52025.8338 -109235.8662 298.9932 -161261.7001 -108865.4458 299.2804 -110.3667 -82.1982 762417.0732 10.0820 10.1432 PRESSURE: 4521400 171.188 -20.1769 69.6353 -20.1764 8.26884 -106.575 69.6352 -106.576 -349.576 GPRESSURE: 4521400 220.957 5.47858 95.2742 40.6851 -0.7829 -187.889 -25.323 -81.0774 -302.594 PRESSAVG: 4521400 13.0812 46.372 17.1409 46.372 2.7608 1.75642 17.1409 1.75641 1.78192 GPRESSAVG: 4521400 13.5998 46.8199 19.3548 47.3466 0.836495 1.10128 14.9901 3.31288 2.98072 TIMING: 4521400 CPU: 14296.5, 0.00316582/step Wall: 14296.5, 0.00316582/step, 0.420878 hours remaining, 235.125000 MB of memory in use. ENERGY: 4521400 3915.3197 20374.0993 14441.8338 238.7822 -203195.0674 2674.8202 0.0000 0.0000 52056.5447 -109493.6675 299.1697 -161550.2122 -109125.8974 299.8457 -56.7063 -27.4734 761954.9319 5.8747 5.8057 PRESSURE: 4521600 -85.7982 -49.4354 178.421 -49.4354 251.056 87.2255 178.422 87.2251 76.9394 GPRESSURE: 4521600 -87.8254 -26.9193 187.325 -38.4994 266.121 98.133 177.737 8.43818 150.445 PRESSAVG: 4521600 -21.1408 -45.4566 14.4335 -45.4566 -26.3694 -23.2621 14.4335 -23.262 -18.4986 GPRESSAVG: 4521600 -20.4885 -45.3462 14.1208 -44.6526 -25.7204 -24.0022 16.2576 -25.7394 -19.5876 TIMING: 4521600 CPU: 14297.2, 0.00315037/step Wall: 14297.2, 0.00315037/step, 0.418649 hours remaining, 235.125000 MB of memory in use. ENERGY: 4521600 4000.5180 20574.4936 14406.6784 233.1899 -203065.8549 2362.1617 0.0000 0.0000 52197.0032 -109291.8101 299.9769 -161488.8133 -108934.9262 299.4141 80.7325 109.5802 761175.7165 -22.0029 -21.9321 PRESSURE: 4521800 174.551 -38.0856 -3.73924 -38.0855 -65.7186 86.6082 -3.73951 86.6092 -197.075 GPRESSURE: 4521800 123.092 88.3763 -28.5857 -117.03 38.324 85.2046 97.7081 99.337 -159.517 PRESSAVG: 4521800 111.984 30.3935 34.5843 30.3935 -32.7427 -31.0884 34.5843 -31.0883 -11.3649 GPRESSAVG: 4521800 110.845 30.7704 34.0385 28.6662 -32.4076 -30.7721 33.9826 -31.2208 -10.7801 TIMING: 4521800 CPU: 14297.8, 0.00316764/step Wall: 14297.8, 0.00316764/step, 0.420768 hours remaining, 235.125000 MB of memory in use. ENERGY: 4521800 4015.7078 20581.5789 14482.9244 247.3268 -202742.8718 2327.0743 0.0000 0.0000 51937.5820 -109150.6777 298.4860 -161088.2596 -108792.3709 299.8438 -29.4140 0.6332 761531.3239 22.6256 22.5524 PRESSURE: 4522000 397.001 -158.978 -226.09 -158.978 24.1453 -104.971 -226.09 -104.971 -49.2323 GPRESSURE: 4522000 361.691 -181.588 -248.151 -81.7505 132.291 -151.961 -192.043 -87.6328 -29.3506 PRESSAVG: 4522000 16.4909 7.72053 -25.8525 7.7205 0.190614 21.5034 -25.8524 21.5034 22.7813 GPRESSAVG: 4522000 15.953 8.73244 -23.9253 7.39516 1.15188 22.1514 -26.5206 23.1362 22.1028 TIMING: 4522000 CPU: 14298.4, 0.00316527/step Wall: 14298.4, 0.00316527/step, 0.420277 hours remaining, 235.125000 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: 4522000 4010.9612 20574.5004 14510.8753 227.4958 -203496.0993 2772.4238 0.0000 0.0000 52165.8876 -109233.9551 299.7981 -161399.8428 -108877.8352 300.0571 123.9712 154.8772 760091.8740 13.1543 13.0692 PRESSURE: 4522200 58.5164 135.692 148.745 135.693 -131.269 -146.867 148.745 -146.868 -23.862 GPRESSURE: 4522200 134.436 88.6023 163.152 107.04 -137.846 -166.453 202.913 -109.171 -23.1557 PRESSAVG: 4522200 42.9305 28.9649 18.7033 28.9648 -17.0471 -38.2565 18.7034 -38.2565 9.96212 GPRESSAVG: 4522200 43.9939 28.3658 19.4105 29.7565 -17.7702 -36.8896 20.0129 -40.257 9.38754 TIMING: 4522200 CPU: 14299.1, 0.00317891/step Wall: 14299.1, 0.00317891/step, 0.421912 hours remaining, 235.125000 MB of memory in use. ENERGY: 4522200 3963.3536 20527.1439 14462.0150 252.0894 -203207.8162 2524.2402 0.0000 0.0000 52179.9717 -109299.0025 299.8790 -161478.9742 -108933.8613 299.9723 -32.2050 -8.8555 762020.5092 11.9485 11.8704 PRESSURE: 4522400 40.7569 136.421 -49.1118 136.421 -297.325 -31.4388 -49.1117 -31.4394 100.93 GPRESSURE: 4522400 55.015 119.883 -150.104 88.4823 -245.543 17.6935 -27.6764 23.5099 119.801 PRESSAVG: 4522400 -18.5473 62.1448 -9.9037 62.1448 0.19861 -10.8261 -9.90364 -10.8261 -0.864493 GPRESSAVG: 4522400 -18.7271 61.1298 -12.1659 62.9081 -0.54437 -9.92534 -10.4338 -9.97385 0.0329583 TIMING: 4522400 CPU: 14299.7, 0.00318252/step Wall: 14299.7, 0.00318252/step, 0.422214 hours remaining, 235.113281 MB of memory in use. ENERGY: 4522400 3939.1705 20598.9366 14461.1553 240.2281 -202975.3033 2431.6759 0.0000 0.0000 52257.6644 -109046.4725 300.3255 -161304.1368 -108691.8398 299.2945 -51.8793 -23.5758 761498.5742 -6.4044 -6.4128 PRESSURE: 4522600 -340.091 -73.0131 -141.033 -73.0132 -368.036 -161.893 -141.032 -161.894 286.986 GPRESSURE: 4522600 -290.074 -57.3666 -76.9743 -71.3058 -260.658 -162.541 -188.628 -228.775 227.981 PRESSAVG: 4522600 74.1586 59.5626 6.11257 59.5626 -59.3206 10.7447 6.11255 10.7447 -4.62218 GPRESSAVG: 4522600 73.5722 59.7049 5.93206 57.1904 -58.3526 9.18693 4.40709 10.121 -5.24945 TIMING: 4522600 CPU: 14300.4, 0.00317971/step Wall: 14300.4, 0.00317971/step, 0.421665 hours remaining, 235.113281 MB of memory in use. ENERGY: 4522600 3918.1582 20637.0472 14478.9227 260.0486 -202855.5085 2302.1034 0.0000 0.0000 52183.8867 -109075.3416 299.9015 -161259.2283 -108711.1602 299.8567 -140.3804 -107.5836 762279.8594 3.4053 3.3234 PRESSURE: 4522800 91.8059 -91.9643 18.5031 -91.964 -0.888082 -81.9037 18.5032 -81.9048 -78.7637 GPRESSURE: 4522800 107.365 57.4884 79.9531 -121.456 10.9176 -45.0284 148.547 -158.705 -23.4965 PRESSAVG: 4522800 41.6682 -16.8009 -26.828 -16.8009 -22.5032 67.6107 -26.8279 67.6107 4.26078 GPRESSAVG: 4522800 42.4452 -14.9536 -27.5223 -13.8174 -21.8907 68.542 -24.3647 68.7418 3.51292 TIMING: 4522800 CPU: 14301, 0.00317337/step Wall: 14301, 0.00317337/step, 0.420647 hours remaining, 235.113281 MB of memory in use. ENERGY: 4522800 3963.9771 20526.0424 14485.2785 224.1118 -202923.4568 2607.1998 0.0000 0.0000 51971.8185 -109145.0288 298.6828 -161116.8473 -108770.0362 299.7823 4.0514 31.5954 763220.6230 7.8086 8.0225 PRESSURE: 4523000 57.859 -86.5791 -221.615 -86.5791 -311.012 420.035 -221.615 420.035 83.3298 GPRESSURE: 4523000 80.5751 -64.3019 -194.316 -136.902 -296.485 358.822 -100.016 337.765 131.892 PRESSAVG: 4523000 -26.5892 -14.278 59.6494 -14.278 12.8748 29.523 59.6494 29.523 16.1924 GPRESSAVG: 4523000 -27.7393 -14.7817 60.8039 -15.2647 11.7515 28.185 58.7651 26.9898 18.3211 TIMING: 4523000 CPU: 14301.6, 0.00319679/step Wall: 14301.6, 0.00319679/step, 0.423574 hours remaining, 235.113281 MB of memory in use. ENERGY: 4523000 3982.3463 20609.8263 14438.5772 257.9272 -203420.8441 2975.0739 0.0000 0.0000 51982.7074 -109174.3858 298.7453 -161157.0932 -108819.1604 299.3858 -56.6076 -28.0059 763050.8327 0.8260 0.7778 PRESSURE: 4523200 12.9349 -205.951 117.171 -205.95 -133.867 34.924 117.17 34.9252 -116.342 GPRESSURE: 4523200 72.9006 -311.038 104.969 -273.639 -121.425 27.1324 58.5815 193.221 -102.531 PRESSAVG: 4523200 30.5162 -5.58424 32.8762 -5.58428 -11.7803 7.28649 32.8761 7.28657 0.637633 GPRESSAVG: 4523200 30.2943 -4.91467 32.1361 -7.10414 -11.4675 8.79032 33.5101 9.10849 0.755314 TIMING: 4523200 CPU: 14302.3, 0.00316726/step Wall: 14302.3, 0.00316726/step, 0.419486 hours remaining, 235.113281 MB of memory in use. ENERGY: 4523200 3935.9111 20497.0192 14489.0488 235.7394 -203242.0216 2715.5206 0.0000 0.0000 52211.9216 -109156.8609 300.0626 -161368.7825 -108798.3206 299.4529 -79.0911 -50.3519 763856.9624 6.4579 6.5274 PRESSURE: 4523400 22.5806 300.267 28.5913 300.266 33.7403 31.8668 28.5911 31.8654 -251.982 GPRESSURE: 4523400 -53.9007 260.152 26.9399 200.342 158.931 25.5755 -52.2134 36.5023 -240.627 PRESSAVG: 4523400 59.5978 -17.1479 -18.1828 -17.1478 -73.1191 68.8106 -18.1829 68.8105 22.3082 GPRESSAVG: 4523400 59.9592 -19.666 -16.9004 -14.3828 -71.8642 67.3118 -19.7263 70.5469 20.9512 TIMING: 4523400 CPU: 14302.9, 0.00316125/step Wall: 14302.9, 0.00316125/step, 0.418515 hours remaining, 235.113281 MB of memory in use. ENERGY: 4523400 4007.7411 20560.6822 14464.1154 246.3867 -202876.9544 2457.6259 0.0000 0.0000 52169.6570 -108970.7461 299.8197 -161140.4031 -108607.6097 300.4347 -65.2205 -45.1992 762222.8691 2.9290 3.0154 PRESSURE: 4523600 -151.159 -35.5033 -52.0261 -35.5025 -188.308 8.88292 -52.0267 8.88146 -33.3105 GPRESSURE: 4523600 -115.954 -41.9171 -79.1198 -74.5977 -114.085 16.2205 9.33343 -0.762347 -71.3075 PRESSAVG: 4523600 78.3244 10.252 -60.1862 10.252 -46.4667 5.69343 -60.1862 5.69336 -14.6676 GPRESSAVG: 4523600 77.6763 11.6567 -60.0587 8.47484 -46.2924 5.35722 -61.0163 2.73065 -14.9351 TIMING: 4523600 CPU: 14303.5, 0.00313834/step Wall: 14303.5, 0.00313834/step, 0.415307 hours remaining, 235.113281 MB of memory in use. ENERGY: 4523600 3936.3824 20656.1481 14508.4124 237.8594 -203220.4961 2526.1458 0.0000 0.0000 52263.4356 -109092.1124 300.3587 -161355.5480 -108724.1458 300.3472 -124.2591 -100.4490 762179.8735 5.7300 5.4830 PRESSURE: 4523800 -105.763 -26.8686 -95.5045 -26.8689 234.398 137.038 -95.5043 137.039 -147.432 GPRESSURE: 4523800 -7.97228 4.00272 -114.833 -25.3165 180.261 198.2 -122.977 202.339 -83.872 PRESSAVG: 4523800 19.7595 -18.0752 -7.69546 -18.0752 -22.0537 -30.5056 -7.69551 -30.5056 1.39329 GPRESSAVG: 4523800 21.0637 -19.4179 -8.37787 -18.0719 -22.9805 -29.6623 -6.95603 -27.6927 1.48017 TIMING: 4523800 CPU: 14304.2, 0.00317395/step Wall: 14304.2, 0.00317395/step, 0.419843 hours remaining, 235.113281 MB of memory in use. ENERGY: 4523800 4024.6711 20351.2406 14415.2824 250.6158 -203381.7561 2753.9515 0.0000 0.0000 52330.0983 -109255.8964 300.7418 -161585.9947 -108891.7016 299.7483 -6.2657 29.4722 761137.7749 -0.3003 -0.1456 PRESSURE: 4524000 -31.3474 190.634 -155.022 190.633 200.4 142.914 -155.022 142.914 -157.313 GPRESSURE: 4524000 35.4755 171.831 -215.855 155.482 209.666 116.526 -20.6083 119.63 -120.026 PRESSAVG: 4524000 52.6523 -1.39726 25.988 -1.39726 -29.598 7.49208 25.9879 7.49205 31.1707 GPRESSAVG: 4524000 52.6526 -2.58577 24.8244 1.42361 -28.7229 7.21488 28.02 5.11201 31.19 TIMING: 4524000 CPU: 14304.8, 0.00315312/step Wall: 14304.8, 0.00315312/step, 0.416912 hours remaining, 235.113281 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: 4524000 4058.8496 20506.4480 14430.0508 255.2129 -203465.6396 2770.9726 0.0000 0.0000 52243.3835 -109200.7223 300.2434 -161444.1058 -108824.4652 299.6993 3.9133 41.7053 760333.2515 18.0750 18.3732 PRESSURE: 4524200 -55.7681 -53.9907 162.866 -53.99 -283.189 8.49451 162.867 8.49508 -298.045 GPRESSURE: 4524200 35.3997 -64.6971 134.754 -77.5355 -296.981 -49.1037 165.576 -21.0771 -301.227 PRESSAVG: 4524200 19.3503 18.797 -17.5736 18.797 32.1039 42.4616 -17.5736 42.4618 3.4919 GPRESSAVG: 4524200 21.0881 21.7609 -17.2126 15.0271 30.5327 42.856 -18.4633 44.4235 3.36887 TIMING: 4524200 CPU: 14305.4, 0.00313241/step Wall: 14305.4, 0.00313241/step, 0.414001 hours remaining, 235.113281 MB of memory in use. ENERGY: 4524200 4019.7647 20418.4793 14511.5120 270.2302 -203201.2474 2474.2811 0.0000 0.0000 52190.0789 -109316.9011 299.9371 -161506.9799 -108943.2304 300.1943 -212.3339 -187.6028 760688.0967 18.3154 18.3299 LDB: ============= START OF LOAD BALANCING ============== 14317.9 LDB: ============== END OF LOAD BALANCING =============== 14317.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14317.9 LDB: ============= START OF LOAD BALANCING ============== 14318.3 LDB: Largest compute 7077 load 0.033912 is 17.3% of average load 0.195576 LDB: Average compute 0.004400 is 2.2% of average load 0.195576 LDB: TIME 14318.3 LOAD: AVG 0.195576 MAX 0.213071 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.961 MB LDB: TIME 14318.3 LOAD: AVG 0.195576 MAX 0.213071 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.164 MB LDB: TIME 14318.3 LOAD: AVG 0.195576 MAX 0.213071 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.164 MB LDB: ============== END OF LOAD BALANCING =============== 14318.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14318.3 PRESSURE: 4524400 0.126406 146.35 1.65831 146.35 -109.535 -23.8739 1.65833 -23.8738 -164.203 GPRESSURE: 4524400 -37.4841 143.709 47.2046 142.206 -44.3952 28.5359 56.5312 -97.2271 -100.271 PRESSAVG: 4524400 26.8553 59.4675 -37.0229 59.4676 -29.1943 -21.4744 -37.0229 -21.4743 -11.0474 GPRESSAVG: 4524400 25.2295 59.2312 -36.0694 63.0762 -29.03 -21.5315 -36.9811 -22.9424 -9.75223 TIMING: 4524400 CPU: 14306.1, 0.00323209/step Wall: 14306.1, 0.00323209/step, 0.426995 hours remaining, 235.832031 MB of memory in use. ENERGY: 4524400 3988.2391 20671.5605 14480.3368 254.5017 -203457.7340 2658.7233 0.0000 0.0000 51968.1108 -109436.2618 298.6614 -161404.3726 -109075.2310 299.4552 -91.2037 -60.7166 761817.4324 -4.4621 -4.5176 PRESSURE: 4524600 -188.111 82.4677 -105.67 82.4677 -215.954 -127.664 -105.669 -127.664 -315.19 GPRESSURE: 4524600 -158.112 63.1771 -76.8125 175.57 -221.968 -15.9721 -76.5553 -162.575 -248.79 PRESSAVG: 4524600 -34.0416 -27.3876 -25.3852 -27.3876 44.6442 -28.0373 -25.3853 -28.0373 2.46117 GPRESSAVG: 4524600 -34.3163 -28.1432 -25.0948 -28.8055 44.9285 -28.2017 -28.7472 -28.5704 2.57817 TIMING: 4524600 CPU: 14306.7, 0.00314688/step Wall: 14306.7, 0.00314688/step, 0.415563 hours remaining, 235.832031 MB of memory in use. ENERGY: 4524600 4037.5835 20526.4966 14391.4518 249.9168 -203355.4712 2342.5159 0.0000 0.0000 52385.9296 -109421.5772 301.0627 -161807.5067 -109049.3557 299.5357 -239.7521 -209.6237 760873.4342 4.3546 4.3968 PRESSURE: 4524800 90.1408 -160.297 -168.302 -160.296 22.207 -131.114 -168.302 -131.112 -60.7785 GPRESSURE: 4524800 135.887 -134.075 -123.211 -165.671 102.211 -61.2391 -190.604 -203.567 -92.3229 PRESSAVG: 4524800 -75.6794 22.947 -26.025 22.9469 34.9514 -31.7826 -26.0251 -31.7826 29.5731 GPRESSAVG: 4524800 -74.9853 22.9204 -27.8552 22.1884 34.9924 -32.74 -22.9643 -31.4227 28.7908 TIMING: 4524800 CPU: 14307.3, 0.00315166/step Wall: 14307.3, 0.00315166/step, 0.416019 hours remaining, 235.832031 MB of memory in use. ENERGY: 4524800 3984.4990 20527.1459 14411.2327 238.1774 -203415.6292 2824.1606 0.0000 0.0000 51957.7227 -109472.6908 298.6017 -161430.4135 -109109.1234 299.4950 17.1897 48.5918 763079.3609 -3.7183 -3.7340 PRESSURE: 4525000 -263.55 -168.295 -18.3065 -168.295 3.10438 -127.035 -18.3061 -127.034 -57.3199 GPRESSURE: 4525000 -206.924 -211.715 -15.4277 -185.737 11.9148 -206.064 32.7628 -69.1231 -9.3657 PRESSAVG: 4525000 23.4016 37.8 29.2437 37.7999 -10.7017 -13.1371 29.2436 -13.137 10.5887 GPRESSAVG: 4525000 22.8518 38.8969 31.3488 37.225 -10.333 -11.9701 27.1899 -13.3036 10.7408 TIMING: 4525000 CPU: 14308, 0.00315625/step Wall: 14308, 0.00315625/step, 0.41645 hours remaining, 235.832031 MB of memory in use. ENERGY: 4525000 4024.9584 20362.6817 14419.3461 237.8591 -202895.6431 2569.1295 0.0000 0.0000 51794.3491 -109487.3193 297.6628 -161281.6684 -109124.6390 298.7933 -105.9217 -68.1248 761360.4483 7.7628 7.7532 PRESSURE: 4525200 126.363 -10.3954 52.4124 -10.3956 33.6762 179.593 52.413 179.593 97.9983 GPRESSURE: 4525200 191.993 36.1969 80.5704 33.5276 43.809 135.127 68.786 209.582 116.849 PRESSAVG: 4525200 50.9296 34.7741 -39.057 34.774 -49.4298 37.8506 -39.057 37.8506 -4.11502 GPRESSAVG: 4525200 52.0314 33.469 -40.0356 35.3296 -50.1867 36.6221 -38.3014 38.1706 -4.00399 TIMING: 4525200 CPU: 14308.6, 0.00315719/step Wall: 14308.6, 0.00315719/step, 0.416398 hours remaining, 235.832031 MB of memory in use. ENERGY: 4525200 3978.3875 20596.3976 14395.1395 274.3288 -202948.0575 2467.7645 0.0000 0.0000 51989.3923 -109246.6473 298.7838 -161236.0396 -108888.3170 299.1659 86.0126 117.5504 761995.5003 -0.8718 -0.7198 PRESSURE: 4525400 401.41 22.5078 77.568 22.507 -238.439 -22.3338 77.5681 -22.3337 398.024 GPRESSURE: 4525400 418.391 -24.0471 90.3415 182.234 -155.726 -39.9862 124.998 -18.4777 376.757 PRESSAVG: 4525400 23.0227 19.8732 19.3978 19.8731 -16.5665 -26.8451 19.3978 -26.8451 2.83604 GPRESSAVG: 4525400 21.0698 19.8203 18.6677 21.4573 -15.711 -26.6425 19.0062 -27.2696 3.49241 TIMING: 4525400 CPU: 14309.2, 0.00314594/step Wall: 14309.2, 0.00314594/step, 0.41474 hours remaining, 235.832031 MB of memory in use. ENERGY: 4525400 3945.2828 20497.7159 14488.5673 255.7579 -203405.2766 2602.2784 0.0000 0.0000 52333.5749 -109282.0996 300.7618 -161615.6744 -108914.3162 299.5130 186.9982 213.1406 761685.4729 3.0974 2.9504 PRESSURE: 4525600 40.2898 24.2937 115.008 24.2942 40.8182 -106.687 115.01 -106.687 -1.25224 GPRESSURE: 4525600 74.3808 14.9206 92.463 9.97189 56.8829 -131.351 68.8286 -2.27924 28.4448 PRESSAVG: 4525600 29.7893 -22.8063 -18.9938 -22.8063 34.8679 8.77611 -18.9939 8.77602 0.972642 GPRESSAVG: 4525600 31.0137 -21.9307 -18.6787 -24.4676 35.3542 9.67171 -18.7218 8.64325 -0.373621 TIMING: 4525600 CPU: 14309.8, 0.00314106/step Wall: 14309.8, 0.00314106/step, 0.413922 hours remaining, 235.832031 MB of memory in use. ENERGY: 4525600 3988.9226 20459.6812 14468.2505 262.1335 -203180.5401 2717.6870 0.0000 0.0000 51914.3944 -109369.4710 298.3527 -161283.8655 -109006.9562 299.5292 26.6186 53.2362 762474.1500 21.8766 21.9981 PRESSURE: 4525800 -207.466 -113.809 -98.9841 -113.81 -254.987 86.8949 -98.9834 86.8943 -509.222 GPRESSURE: 4525800 -301.264 -75.8782 -83.1725 -130.099 -195.729 135.112 -226.311 116.888 -382.017 PRESSAVG: 4525800 5.82645 -10.4628 -23.1266 -10.4629 -3.54626 -5.13076 -23.1267 -5.13073 4.68608 GPRESSAVG: 4525800 6.22395 -12.4352 -22.4683 -9.07669 -4.9132 -5.33046 -22.5549 -5.39145 5.27677 TIMING: 4525800 CPU: 14310.5, 0.003132/step Wall: 14310.5, 0.003132/step, 0.412554 hours remaining, 235.832031 MB of memory in use. ENERGY: 4525800 3912.4467 20598.3939 14482.0093 262.2066 -202687.0707 2140.9099 0.0000 0.0000 51882.6830 -109408.4213 298.1705 -161291.1043 -109053.6844 298.6428 -323.8918 -293.0033 764089.9309 2.3221 2.1958 PRESSURE: 4526000 106.635 119.401 199.791 119.401 292.351 -109.935 199.79 -109.936 569.241 GPRESSURE: 4526000 188.746 111.474 163.292 119.723 282.919 -111.391 206.696 -85.7422 599.597 PRESSAVG: 4526000 -48.1302 39.4075 -18.4364 39.4075 -3.45376 56.5447 -18.4365 56.5447 1.80574 GPRESSAVG: 4526000 -47.8932 39.4092 -18.4655 39.7906 -3.55504 56.5098 -18.4677 57.4864 2.00062 TIMING: 4526000 CPU: 14311.1, 0.0031472/step Wall: 14311.1, 0.0031472/step, 0.414382 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: 4526000 3921.5900 20496.2642 14516.3362 245.6035 -203088.6016 2646.9103 0.0000 0.0000 51901.9040 -109359.9934 298.2810 -161261.8974 -108999.7785 299.1796 322.7424 357.0875 760576.7079 -16.5927 -16.4825 PRESSURE: 4526200 196.603 262.945 -23.981 262.944 207.283 167.002 -23.9816 167.003 -263.391 GPRESSURE: 4526200 230.117 266.213 -41.4682 146.462 209.923 207.739 -95.6998 163.661 -202.432 PRESSAVG: 4526200 18.0356 -9.49123 -29.5763 -9.49121 -19.4835 -2.10259 -29.5763 -2.1026 10.9334 GPRESSAVG: 4526200 18.4684 -8.94835 -31.5156 -11.4651 -20.3721 -2.11756 -28.5961 -3.24656 11.9866 TIMING: 4526200 CPU: 14311.7, 0.00314199/step Wall: 14311.7, 0.00314199/step, 0.41352 hours remaining, 235.832031 MB of memory in use. ENERGY: 4526200 3993.6888 20518.1876 14488.8356 247.7746 -203503.9985 2571.9716 0.0000 0.0000 52165.9265 -109517.6137 299.7983 -161683.5402 -109141.3535 299.2673 46.8316 79.2024 761357.0573 3.1618 3.3610 PRESSURE: 4526400 377.014 20.1034 -34.0566 20.1029 68.1843 -78.7219 -34.0561 -78.7213 -296.984 GPRESSURE: 4526400 327.659 22.11 -74.3128 18.3791 116.647 -124.419 74.0611 92.3246 -195.369 PRESSAVG: 4526400 -34.4782 -27.2551 50.5858 -27.2551 20.8549 32.8348 50.5858 32.8347 -7.31881 GPRESSAVG: 4526400 -35.6197 -30.3182 51.2252 -24.8962 22.1144 33.2941 49.6387 33.794 -7.28141 TIMING: 4526400 CPU: 14312.4, 0.00313686/step Wall: 14312.4, 0.00313686/step, 0.412671 hours remaining, 235.832031 MB of memory in use. ENERGY: 4526400 4019.8528 20583.9342 14438.5554 248.2755 -203694.1439 3021.2595 0.0000 0.0000 52183.6169 -109198.6496 299.9000 -161382.2665 -108834.2809 299.1594 49.4046 82.9788 761526.3681 -6.9807 -6.9289 PRESSURE: 4526600 167.785 76.3604 -82.4924 76.3603 440.306 -50.0058 -82.4929 -50.0063 206.047 GPRESSURE: 4526600 204.815 112.327 -136.918 37.8905 529.73 -0.0677434 -141.239 -91.1269 176.82 PRESSAVG: 4526600 56.0076 -16.661 -17.5775 -16.661 -58.4913 -74.3871 -17.5774 -74.387 11.7877 GPRESSAVG: 4526600 54.9019 -14.3066 -18.526 -16.815 -57.3678 -77.1364 -15.2947 -75.9062 11.6134 TIMING: 4526600 CPU: 14313, 0.00313819/step Wall: 14313, 0.00313819/step, 0.412672 hours remaining, 235.832031 MB of memory in use. ENERGY: 4526600 3949.8992 20700.6487 14435.1486 233.2482 -203766.3392 2923.2842 0.0000 0.0000 52250.0896 -109274.0208 300.2820 -161524.1104 -108917.4346 300.5309 271.3792 303.7885 762700.1281 3.1013 3.0492 PRESSURE: 4526800 -45.5507 27.958 -27.7067 27.9585 152.376 22.2213 -27.7067 22.2214 354.478 GPRESSURE: 4526800 70.1922 57.0456 14.9797 5.13935 148.996 13.0328 31.2605 -28.1474 313.423 PRESSAVG: 4526800 7.12783 -8.92378 -24.2053 -8.92377 31.0543 -6.30134 -24.2053 -6.30121 23.4886 GPRESSAVG: 4526800 8.9142 -7.61059 -23.304 -10.4657 29.5255 -3.87352 -25.551 -5.47202 22.478 TIMING: 4526800 CPU: 14313.6, 0.00313849/step Wall: 14313.6, 0.00313849/step, 0.412537 hours remaining, 235.832031 MB of memory in use. ENERGY: 4526800 3994.4102 20580.1650 14472.6101 261.3248 -203244.7645 2724.1429 0.0000 0.0000 52258.3128 -108953.7987 300.3292 -161212.1115 -108590.1266 300.4919 153.7677 177.5370 762429.1548 20.5569 20.3059 PRESSURE: 4527000 -16.8416 -4.53714 -58.7741 -4.53778 -298.7 -87.0317 -58.7733 -87.0324 152.952 GPRESSURE: 4527000 27.3574 -52.8411 -32.0372 -108.021 -300.523 -123.063 -84.5915 -98.5615 203.832 PRESSAVG: 4527000 4.17169 -60.5142 -1.54608 -60.5142 -50.1508 -42.8606 -1.54605 -42.8606 -12.381 GPRESSAVG: 4527000 3.26563 -61.2137 0.997685 -59.4356 -50.2673 -42.4345 -0.984756 -43.279 -11.7861 TIMING: 4527000 CPU: 14314.2, 0.00315319/step Wall: 14314.2, 0.00315319/step, 0.414294 hours remaining, 235.832031 MB of memory in use. ENERGY: 4527000 3949.3506 20576.9842 14495.4544 239.3390 -202743.4602 2324.2568 0.0000 0.0000 52213.5320 -108944.5432 300.0719 -161158.0752 -108578.3545 300.4110 -54.1967 -23.1111 764113.4717 -19.4534 -19.5959 PRESSURE: 4527200 31.105 47.4001 124.912 47.3994 525.397 -93.2754 124.913 -93.2751 54.612 GPRESSURE: 4527200 96.8835 -6.31483 72.8072 44.652 481.823 -90.2394 84.5949 -52.1802 91.0326 PRESSAVG: 4527200 -4.90796 -10.847 -29.1258 -10.847 16.0117 -35.1281 -29.1258 -35.1281 5.48888 GPRESSAVG: 4527200 -5.25037 -10.8207 -32.6983 -12.0257 17.6154 -37.1073 -29.471 -33.9578 4.12977 TIMING: 4527200 CPU: 14314.9, 0.00313127/step Wall: 14314.9, 0.00313127/step, 0.41124 hours remaining, 235.832031 MB of memory in use. ENERGY: 4527200 3931.1465 20606.1260 14443.9834 241.6321 -203545.5418 2996.7440 0.0000 0.0000 52463.8704 -108862.0395 301.5106 -161325.9099 -108505.1929 300.4755 203.7046 223.2463 763200.8563 5.5309 5.4983 PRESSURE: 4527400 -46.3564 144.784 121.405 144.784 18.4844 15.5249 121.405 15.5239 -332.26 GPRESSURE: 4527400 -23.0259 31.3631 142.188 111.347 -1.27135 24.7413 180.494 38.3311 -278.902 PRESSAVG: 4527400 44.6693 -0.731599 36.5993 -0.731579 -29.8665 -19.8445 36.5994 -19.8446 -10.6644 GPRESSAVG: 4527400 43.5872 -3.33378 38.7938 2.02099 -31.2888 -18.5192 35.183 -19.8218 -8.19402 TIMING: 4527400 CPU: 14315.5, 0.00313904/step Wall: 14315.5, 0.00313904/step, 0.412086 hours remaining, 235.832031 MB of memory in use. ENERGY: 4527400 4051.3119 20682.0863 14425.6805 241.5545 -203719.4701 2969.7066 0.0000 0.0000 52417.2132 -108931.9172 301.2424 -161349.1303 -108560.6553 300.2510 -120.0438 -101.0663 763689.6886 1.3795 1.3681 PRESSURE: 4527600 -247.501 -98.1157 177.909 -98.116 -223.424 10.162 177.909 10.1619 23.1578 GPRESSURE: 4527600 -236.001 -80.7356 135.314 12.6733 -162.041 49.3427 115.101 -67.6533 38.3858 PRESSAVG: 4527600 -30.5825 50.7669 48.2302 50.7669 15.0328 -30.3659 48.2302 -30.3659 -15.6047 GPRESSAVG: 4527600 -29.3301 53.1501 47.3508 49.9118 15.883 -32.0658 48.6161 -31.3267 -17.5918 TIMING: 4527600 CPU: 14316.1, 0.0031375/step Wall: 14316.1, 0.0031375/step, 0.411709 hours remaining, 235.832031 MB of memory in use. ENERGY: 4527600 4036.8109 20621.4775 14448.9329 244.5097 -203335.8290 2858.9741 0.0000 0.0000 52251.4950 -108873.6290 300.2901 -161125.1240 -108525.1056 300.4672 -149.2558 -119.8853 763554.3087 -10.3848 -10.3463 PRESSURE: 4527800 -211.461 -74.546 26.0323 -74.5459 -147.575 -14.6158 26.0331 -14.6151 94.7811 GPRESSURE: 4527800 -137.064 -54.9693 3.67385 -49.4881 -120.882 2.03452 66.8268 37.6339 100.644 PRESSAVG: 4527800 -25.0767 -0.678763 -8.47436 -0.678814 -12.0453 29.6362 -8.47446 29.6361 35.4147 GPRESSAVG: 4527800 -25.9928 -1.67729 -7.82573 -1.51604 -12.7757 31.7383 -9.41901 30.1727 37.2073 TIMING: 4527800 CPU: 14316.7, 0.00313299/step Wall: 14316.7, 0.00313299/step, 0.410944 hours remaining, 235.832031 MB of memory in use. ENERGY: 4527800 4002.4063 20607.5716 14519.9819 276.6755 -202844.6514 2385.4767 0.0000 0.0000 52175.4867 -108877.0526 299.8532 -161052.5393 -108507.7117 300.5704 -88.0848 -52.4341 763728.7656 -0.5691 -0.5204 PRESSURE: 4528000 100.492 127.71 -168.913 127.709 432.141 157.7 -168.914 157.701 141.298 GPRESSURE: 4528000 199.556 136.037 -219.683 45.4467 406.558 227.339 -106.685 57.836 150.576 PRESSAVG: 4528000 -52.7014 0.716667 -30.1806 0.716669 9.30538 -8.41025 -30.1807 -8.41027 -1.32124 GPRESSAVG: 4528000 -51.1959 1.5054 -29.7507 -0.0774834 9.45814 -9.4704 -26.8267 -9.05734 -2.5159 TIMING: 4528000 CPU: 14317.4, 0.0031344/step Wall: 14317.4, 0.0031344/step, 0.410955 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: 4528000 4028.4801 20398.2209 14504.3576 266.1445 -203301.1695 2749.7673 0.0000 0.0000 52505.4585 -108848.7406 301.7496 -161354.1991 -108484.8218 300.8812 224.6437 252.2299 761692.0819 -14.9058 -14.7512 PRESSURE: 4528200 -363.191 -159.08 -66.6212 -159.079 -51.3557 -23.4553 -66.6209 -23.4556 79.2362 GPRESSURE: 4528200 -285.278 -81.2755 -50.6884 -135.404 -23.9445 -43.5451 -133.34 110.805 52.5709 PRESSAVG: 4528200 -9.759 -16.059 1.09283 -16.0591 33.3379 6.39651 1.09287 6.39652 15.9027 GPRESSAVG: 4528200 -9.93135 -15.215 2.6339 -13.9025 33.2281 7.67032 -1.89423 7.49148 16.1039 TIMING: 4528200 CPU: 14318, 0.00315303/step Wall: 14318, 0.00315303/step, 0.413222 hours remaining, 235.832031 MB of memory in use. ENERGY: 4528200 3924.1834 20655.1827 14505.6083 246.4155 -202895.5543 2633.1104 0.0000 0.0000 52047.1452 -108883.9088 299.1157 -160931.0540 -108519.1688 300.4893 -111.7701 -85.5505 764312.1173 13.1605 13.1335 LDB: ============= START OF LOAD BALANCING ============== 14330.5 LDB: ============== END OF LOAD BALANCING =============== 14330.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14330.5 LDB: ============= START OF LOAD BALANCING ============== 14330.9 LDB: Largest compute 7078 load 0.035517 is 18.2% of average load 0.195577 LDB: Average compute 0.004389 is 2.2% of average load 0.195577 LDB: TIME 14330.9 LOAD: AVG 0.195577 MAX 0.213717 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.031 MB LDB: TIME 14330.9 LOAD: AVG 0.195577 MAX 0.213717 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.07 MB LDB: TIME 14330.9 LOAD: AVG 0.195577 MAX 0.213717 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.07 MB LDB: ============== END OF LOAD BALANCING =============== 14330.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14330.9 PRESSURE: 4528400 -175.699 -33.4456 -101.167 -33.4457 -363.785 200.789 -101.166 200.789 -189.066 GPRESSURE: 4528400 -188.562 -37.7383 -92.2619 34.1199 -267.019 168.874 -31.0825 136.287 -197.378 PRESSAVG: 4528400 12.1966 -21.0477 -34.8002 -21.0476 -32.4541 -11.2987 -34.8002 -11.2987 26.5862 GPRESSAVG: 4528400 12.0177 -21.9991 -38.7113 -21.8176 -31.5256 -11.7782 -33.777 -13.4818 26.2414 TIMING: 4528400 CPU: 14318.6, 0.00320829/step Wall: 14318.6, 0.00320829/step, 0.420286 hours remaining, 234.738281 MB of memory in use. ENERGY: 4528400 3991.4942 20596.4552 14514.1392 260.5115 -202769.2398 2199.7435 0.0000 0.0000 52407.5094 -108799.3868 301.1867 -161206.8962 -108424.9913 300.6107 -242.8499 -217.6531 762580.6556 2.1096 2.2445 PRESSURE: 4528600 181.988 154.915 207.796 154.916 -61.9374 29.0988 207.796 29.0982 -123.701 GPRESSURE: 4528600 198.55 95.1569 157.777 80.5598 -51.8562 16.6888 121.449 7.83729 -53.9416 PRESSAVG: 4528600 -34.0827 31.3097 -32.5619 31.3098 43.9091 -15.5795 -32.5619 -15.5796 -17.4797 GPRESSAVG: 4528600 -34.2782 32.5272 -32.932 29.8602 43.6419 -15.219 -33.7948 -14.6154 -16.7956 TIMING: 4528600 CPU: 14319.3, 0.00314416/step Wall: 14319.3, 0.00314416/step, 0.41171 hours remaining, 234.980469 MB of memory in use. ENERGY: 4528600 4037.7222 20508.9894 14513.1465 252.5196 -203074.5115 2747.6678 0.0000 0.0000 52032.6939 -108981.7721 299.0326 -161014.4660 -108612.0266 300.2135 -1.2170 30.9173 763005.1350 -2.5511 -2.4773 PRESSURE: 4528800 -327.945 -71.4072 150.681 -71.4079 -412.201 218.156 150.68 218.156 -343.117 GPRESSURE: 4528800 -230.159 -3.01281 -40.1041 5.36064 -411.323 125.636 195.8 212.093 -348.714 PRESSAVG: 4528800 -13.489 -28.1474 80.3693 -28.1473 22.9178 8.54912 80.3693 8.54909 9.42541 GPRESSAVG: 4528800 -13.3708 -29.274 81.2621 -26.3939 23.7279 7.70224 80.7926 9.24059 7.81346 TIMING: 4528800 CPU: 14319.9, 0.0031417/step Wall: 14319.9, 0.0031417/step, 0.411213 hours remaining, 234.980469 MB of memory in use. ENERGY: 4528800 3966.4291 20591.0473 14462.9112 236.7578 -203436.5961 2766.2256 0.0000 0.0000 52224.9140 -109188.3112 300.1373 -161413.2252 -108820.0331 300.5445 -361.0876 -330.0653 763277.5920 6.2847 6.0568 PRESSURE: 4529000 -327.388 11.3736 165.817 11.3729 28.8086 -155.687 165.816 -155.686 -245.497 GPRESSURE: 4529000 -265.498 12.7434 41.4799 87.8332 -21.5578 -109.801 275.226 -17.1256 -198.322 PRESSAVG: 4529000 -36.2296 -10.5204 10.8777 -10.5204 44.3651 -4.57412 10.8778 -4.57408 8.30077 GPRESSAVG: 4529000 -37.3335 -10.1716 10.6968 -11.0873 43.485 -5.28232 13.2186 -3.24971 9.92572 TIMING: 4529000 CPU: 14320.5, 0.00316224/step Wall: 14320.5, 0.00316224/step, 0.413727 hours remaining, 234.980469 MB of memory in use. ENERGY: 4529000 3970.9686 20658.2492 14459.6669 258.6249 -203103.8060 2352.9183 0.0000 0.0000 52141.0456 -109262.3324 299.6553 -161403.3780 -108888.5262 299.9076 -181.3591 -161.7927 763431.6928 5.4788 5.3591 PRESSURE: 4529200 -187.415 45.1112 -110.147 45.1115 -250.152 -3.11901 -110.146 -3.11978 -211.966 GPRESSURE: 4529200 -154.37 97.5822 -56.9393 -4.00128 -193.8 32.6961 -142.428 -64.534 -257.55 PRESSAVG: 4529200 -65.0887 7.73467 -31.5408 7.73472 48.241 -17.2148 -31.5408 -17.2149 -8.27682 GPRESSAVG: 4529200 -65.3719 7.80742 -32.7408 9.25593 48.1421 -18.4178 -34.741 -17.3041 -9.11075 TIMING: 4529200 CPU: 14321.2, 0.0031391/step Wall: 14321.2, 0.0031391/step, 0.410525 hours remaining, 234.980469 MB of memory in use. ENERGY: 4529200 4025.8034 20532.6395 14457.9411 257.1781 -203058.6599 2359.6322 0.0000 0.0000 52007.1552 -109418.3103 298.8858 -161425.4656 -109059.8521 299.0106 -216.5111 -201.9066 764983.8964 -8.3748 -8.7802 PRESSURE: 4529400 -327.671 47.831 108.652 47.83 21.2351 -54.4244 108.653 -54.4246 -54.3411 GPRESSURE: 4529400 -265.062 -30.8163 -21.0449 -41.7368 -28.0376 45.4672 215.867 -70.4277 5.94363 PRESSAVG: 4529400 -45.1699 38.8514 25.9309 38.8514 37.8622 7.34265 25.931 7.34273 2.65899 GPRESSAVG: 4529400 -44.5834 39.0381 27.7675 35.8601 37.0178 9.08746 28.3575 7.11844 2.86511 TIMING: 4529400 CPU: 14321.8, 0.00315414/step Wall: 14321.8, 0.00315414/step, 0.412316 hours remaining, 234.980469 MB of memory in use. ENERGY: 4529400 4043.9553 20513.9682 14502.9653 243.2920 -202933.1219 2301.1150 0.0000 0.0000 52068.6074 -109259.2187 299.2390 -161327.8261 -108898.5852 299.4177 -120.2591 -95.7186 763265.2649 -1.5496 -1.5668 PRESSURE: 4529600 66.526 38.968 60.203 38.9677 -336.191 110.368 60.2027 110.367 -71.3996 GPRESSURE: 4529600 83.6089 12.8841 46.4044 152.597 -258.697 64.3958 20.2028 165.946 -77.5967 PRESSAVG: 4529600 -38.9791 4.14274 15.5595 4.14285 24.5724 88.5869 15.5595 88.5869 -6.97669 GPRESSAVG: 4529600 -38.466 1.34228 15.7797 6.85121 24.5647 86.0483 14.2215 88.3958 -7.42872 TIMING: 4529600 CPU: 14322.4, 0.00315526/step Wall: 14322.4, 0.00315526/step, 0.412288 hours remaining, 234.980469 MB of memory in use. ENERGY: 4529600 4016.2089 20535.5730 14461.7469 241.7131 -203393.9230 2758.9438 0.0000 0.0000 52011.4248 -109368.3124 298.9104 -161379.7373 -109006.7332 299.4534 -113.6882 -84.2284 763142.1975 -7.1278 -7.1100 PRESSURE: 4529800 -118.495 -81.9962 -177.092 -81.9952 222.83 29.1521 -177.093 29.1521 -92.3422 GPRESSURE: 4529800 -151.993 -61.5276 -219.434 -193.101 301.392 39.664 -74.6151 7.75069 -63.7071 PRESSAVG: 4529800 19.6828 -28.8545 16.6284 -28.8545 11.9748 0.55774 16.6284 0.557746 -7.70159 GPRESSAVG: 4529800 18.9187 -25.6474 15.7885 -32.226 12.3912 3.00883 16.4785 -0.130785 -7.90605 TIMING: 4529800 CPU: 14323.1, 0.0031509/step Wall: 14323.1, 0.0031509/step, 0.411542 hours remaining, 234.980469 MB of memory in use. ENERGY: 4529800 4013.6908 20494.9496 14449.6724 232.7509 -203289.8373 2755.2381 0.0000 0.0000 52069.0447 -109274.4909 299.2415 -161343.5355 -108909.2467 299.7338 3.9974 28.5638 762175.3728 7.9853 7.8013 PRESSURE: 4530000 -189.908 102.454 64.9108 102.453 -32.674 -0.545422 64.9116 -0.545567 -423.158 GPRESSURE: 4530000 -139.765 64.5862 -6.87147 44.4037 -49.2099 -29.4044 -12.1007 -93.0387 -375.669 PRESSAVG: 4530000 6.6214 10.956 40.5603 10.956 -38.0251 -1.11737 40.5604 -1.11731 14.5681 GPRESSAVG: 4530000 6.5321 9.05513 41.839 13.4411 -38.1361 -1.96188 38.8378 -2.63199 14.7756 TIMING: 4530000 CPU: 14323.7, 0.00317304/step Wall: 14323.7, 0.00317304/step, 0.414257 hours remaining, 234.980469 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: 4530000 4000.2446 20672.6895 14516.0664 238.8189 -203501.3877 2633.5784 0.0000 0.0000 52322.4333 -109117.5566 300.6977 -161439.9899 -108754.4301 299.6540 -215.2467 -188.2146 761865.2420 -5.6119 -5.6095 PRESSURE: 4530200 -473.659 28.2933 35.4255 28.2938 -213.063 -47.4709 35.4256 -47.4711 -80.2357 GPRESSURE: 4530200 -469.613 47.5739 102.6 -60.1244 -206.715 -27.7318 67.468 -169.925 -5.93 PRESSAVG: 4530200 -6.03948 -8.89919 14.0033 -8.8992 10.7372 -13.0399 14.0032 -13.0399 -14.3928 GPRESSAVG: 4530200 -5.07115 -9.76045 12.3007 -10.5411 9.59583 -13.1312 17.1783 -11.6061 -13.7318 TIMING: 4530200 CPU: 14324.3, 0.00317536/step Wall: 14324.3, 0.00317536/step, 0.414384 hours remaining, 234.980469 MB of memory in use. ENERGY: 4530200 4093.8884 20736.5993 14451.1984 249.7945 -203069.9506 2458.2067 0.0000 0.0000 52016.0597 -109064.2035 298.9370 -161080.2632 -108711.6166 299.6736 -255.6525 -227.4194 762432.9623 -3.2317 -3.0690 PRESSURE: 4530400 143.003 -5.45457 -121.199 -5.45405 198.99 -191.169 -121.199 -191.169 -77.4767 GPRESSURE: 4530400 193.815 85.6286 -197.64 -9.07976 247.395 -217.057 -92.9583 -107.455 -94.9193 PRESSAVG: 4530400 -18.2812 -21.194 8.3452 -21.194 8.50754 -9.13381 8.34524 -9.1338 -1.92567 GPRESSAVG: 4530400 -18.2034 -18.4599 9.19419 -19.6074 8.89797 -7.91695 5.72326 -7.13565 -2.74308 TIMING: 4530400 CPU: 14325, 0.00316539/step Wall: 14325, 0.00316539/step, 0.412907 hours remaining, 234.980469 MB of memory in use. ENERGY: 4530400 3989.8146 20542.6910 14452.3239 251.4482 -203237.1600 2747.7526 0.0000 0.0000 52182.7503 -109070.3794 299.8950 -161253.1297 -108698.1004 299.5900 88.1723 115.4302 760722.8403 -3.8998 -4.0162 PRESSURE: 4530600 -539.487 117.84 57.2941 117.84 -217.431 -11.1049 57.2943 -11.1047 -121.582 GPRESSURE: 4530600 -493.034 126.304 128.692 86.1211 -150.892 13.3164 10.6902 -20.9766 -149.024 PRESSAVG: 4530600 -33.8475 17.346 20.4854 17.346 34.857 33.7559 20.4854 33.7559 14.0023 GPRESSAVG: 4530600 -34.4365 15.2146 20.4501 18.2998 34.0815 31.6326 21.1768 33.1127 14.6972 TIMING: 4530600 CPU: 14325.6, 0.00316605/step Wall: 14325.6, 0.00316605/step, 0.412818 hours remaining, 234.980469 MB of memory in use. ENERGY: 4530600 3961.6310 20596.6626 14444.5977 249.7377 -202845.8332 2202.9315 0.0000 0.0000 52452.7340 -108937.5388 301.4466 -161390.2727 -108566.5550 300.1351 -292.8335 -264.3165 763335.5684 5.0039 4.7807 PRESSURE: 4530800 155.249 73.46 258.416 73.4597 -237.509 68.6909 258.415 68.6905 -295.925 GPRESSURE: 4530800 248.229 87.8811 131.046 157.303 -129.489 122.006 215.421 -91.8942 -409.541 PRESSAVG: 4530800 -26.6518 2.11829 -11.459 2.11832 15.3701 -22.4579 -11.459 -22.4579 -18.5063 GPRESSAVG: 4530800 -25.0629 4.00226 -11.5115 1.43036 14.9159 -21.8621 -12.135 -24.0586 -19.5968 TIMING: 4530800 CPU: 14326.2, 0.00315886/step Wall: 14326.2, 0.00315886/step, 0.411705 hours remaining, 234.980469 MB of memory in use. ENERGY: 4530800 3971.9770 20402.0779 14504.2306 235.0486 -203156.2395 2463.3133 0.0000 0.0000 52355.8549 -109223.7371 300.8898 -161579.5921 -108851.8407 299.8306 -126.0616 -96.9338 761403.8271 -9.9293 -9.9146 PRESSURE: 4531000 -94.5715 -127.801 -136.253 -127.801 -391.302 -239.574 -136.253 -239.575 -118.004 GPRESSURE: 4531000 -74.2104 -114.709 -77.6548 -14.7622 -323.276 -160.412 -101.591 -204.263 -119.877 PRESSAVG: 4531000 9.11692 17.7729 52.4136 17.7728 20.1075 -2.57084 52.4136 -2.57083 -9.91012 GPRESSAVG: 4531000 7.53992 17.7051 53.1337 17.5721 22.0566 -1.70858 52.3072 -2.42648 -9.76223 TIMING: 4531000 CPU: 14326.9, 0.00314852/step Wall: 14326.9, 0.00314852/step, 0.410183 hours remaining, 234.980469 MB of memory in use. ENERGY: 4531000 3955.6876 20592.8479 14442.9609 228.1649 -203194.6123 2559.4805 0.0000 0.0000 52095.0167 -109320.4538 299.3908 -161415.4705 -108958.6256 299.4264 -201.2925 -172.4545 763749.7620 6.4381 6.6114 PRESSURE: 4531200 -397.031 71.5906 -24.8389 71.5898 -322.676 -24.8442 -24.8393 -24.8436 -357.838 GPRESSURE: 4531200 -340.002 84.7388 32.2241 79.568 -267.036 -25.428 29.9383 11.3249 -376.818 PRESSAVG: 4531200 -31.841 20.4369 15.0154 20.4369 21.6241 -57.506 15.0154 -57.506 14.5678 GPRESSAVG: 4531200 -31.4685 19.0356 16.3165 21.0925 21.3923 -56.5516 16.2147 -57.705 13.9147 TIMING: 4531200 CPU: 14327.5, 0.003151/step Wall: 14327.5, 0.003151/step, 0.41033 hours remaining, 234.980469 MB of memory in use. ENERGY: 4531200 3973.2598 20523.3782 14517.2621 263.4664 -202993.0835 2375.8533 0.0000 0.0000 52072.7321 -109267.1314 299.2627 -161339.8636 -108908.6464 299.6557 -359.1814 -327.9522 762628.6476 1.4503 1.2795 PRESSURE: 4531400 -234.356 84.9395 -165.445 84.9394 183.09 221.281 -165.445 221.281 -178.998 GPRESSURE: 4531400 -148.403 -36.3831 -180.846 11.3177 87.7174 302.921 -174.658 199.725 -93.9026 PRESSAVG: 4531400 22.8108 64.1239 -26.9926 64.1239 1.74643 5.48822 -26.9925 5.48826 -9.00696 GPRESSAVG: 4531400 22.8329 64.028 -29.341 65.0366 1.34345 4.96431 -25.2576 5.74285 -8.5141 TIMING: 4531400 CPU: 14328.1, 0.00316094/step Wall: 14328.1, 0.00316094/step, 0.411449 hours remaining, 234.980469 MB of memory in use. ENERGY: 4531400 3995.9884 20391.0007 14507.1808 273.4360 -203211.4137 2584.3609 0.0000 0.0000 52256.7590 -109202.6880 300.3203 -161459.4469 -108832.1540 299.0813 -76.7548 -51.5292 762409.4647 5.1834 5.2208 PRESSURE: 4531600 -170.841 142.531 67.4704 142.532 -324.391 58.7191 67.4695 58.7183 -133.9 GPRESSURE: 4531600 -142.298 5.0232 48.2284 144.4 -214.754 55.8862 -64.5776 -7.59788 -176.65 PRESSAVG: 4531600 38.1379 14.9945 26.0399 14.9945 -18.1736 -12.2424 26.0398 -12.2424 5.99825 GPRESSAVG: 4531600 38.0105 14.6875 26.4602 15.1285 -17.7668 -14.5412 25.2136 -10.9749 6.07444 TIMING: 4531600 CPU: 14328.7, 0.00316387/step Wall: 14328.7, 0.00316387/step, 0.411655 hours remaining, 234.980469 MB of memory in use. ENERGY: 4531600 4031.0900 20644.3427 14530.4357 251.4780 -203190.5648 2335.1411 0.0000 0.0000 52307.4018 -109090.6755 300.6114 -161398.0773 -108724.8679 299.9144 -209.7105 -177.9008 762966.8699 8.6542 8.7727 PRESSURE: 4531800 72.638 77.6187 -168.194 77.619 123.319 8.91648 -168.194 8.91546 110.117 GPRESSURE: 4531800 28.5845 183.123 -51.9114 114.824 153.45 -13.1097 -110.543 -3.92581 188.984 PRESSAVG: 4531800 -37.6998 -10.756 27.7994 -10.7561 -6.65954 10.3123 27.7993 10.3122 1.25723 GPRESSAVG: 4531800 -38.4374 -11.5823 27.7392 -10.2459 -5.61897 12.5627 29.8425 10.3198 0.689489 TIMING: 4531800 CPU: 14329.4, 0.00313934/step Wall: 14329.4, 0.00313934/step, 0.408289 hours remaining, 234.980469 MB of memory in use. ENERGY: 4531800 4017.8650 20571.3496 14524.2203 251.4084 -203354.4118 2635.6478 0.0000 0.0000 52230.6627 -109123.2580 300.1703 -161353.9207 -108766.8883 299.8089 102.0248 123.6727 762742.3110 -14.3674 -14.4556 PRESSURE: 4532000 175.308 238.058 -58.5039 238.058 -50.2954 24.0796 -58.5039 24.08 -303.065 GPRESSURE: 4532000 323.396 234.772 -48.3813 255.88 -71.1933 104.947 -273.742 -0.126166 -335.33 PRESSAVG: 4532000 -7.95734 10.8796 4.97373 10.8796 -48.4094 -23.8306 4.97374 -23.8307 3.54076 GPRESSAVG: 4532000 -6.6606 12.0632 6.16283 9.02806 -49.653 -24.9875 0.52174 -23.0971 2.68924 TIMING: 4532000 CPU: 14330, 0.00315731/step Wall: 14330, 0.00315731/step, 0.41045 hours remaining, 234.980469 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: 4532000 3965.2768 20545.9992 14446.3995 265.4166 -203377.7555 2614.4245 0.0000 0.0000 52246.2024 -109294.0365 300.2596 -161540.2389 -108935.1217 299.8595 -59.3510 -27.7093 762105.2023 -17.6087 -17.8748 PRESSURE: 4532200 21.7582 188.892 89.865 188.891 88.5306 163.415 89.8647 163.415 -298.526 GPRESSURE: 4532200 21.9071 184.277 -1.5395 189.436 114.265 147.613 121.533 250.985 -232.104 PRESSAVG: 4532200 24.8131 21.4146 19.4455 21.4145 -29.9161 69.0563 19.4455 69.0563 -6.06293 GPRESSAVG: 4532200 23.196 20.3143 17.689 23.4442 -28.8068 68.4002 22.0068 70.3617 -6.23748 TIMING: 4532200 CPU: 14330.6, 0.00315619/step Wall: 14330.6, 0.00315619/step, 0.41013 hours remaining, 234.980469 MB of memory in use. ENERGY: 4532200 4007.0061 20607.0622 14446.7773 242.0868 -203372.8431 2552.3525 0.0000 0.0000 52201.2611 -109316.2971 300.0014 -161517.5582 -108968.3911 299.4427 -62.7458 -31.9771 761978.4652 -3.7220 -3.9494 LDB: ============= START OF LOAD BALANCING ============== 14343.2 LDB: ============== END OF LOAD BALANCING =============== 14343.2 LDB: =============== DONE WITH MIGRATION ================ 14343.2 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 14343.5 LDB: Largest compute 7075 load 0.033792 is 17.3% of average load 0.195529 LDB: Average compute 0.004379 is 2.2% of average load 0.195529 LDB: TIME 14343.5 LOAD: AVG 0.195529 MAX 0.217087 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.484 MB LDB: TIME 14343.5 LOAD: AVG 0.195529 MAX 0.217087 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.555 MB LDB: TIME 14343.5 LOAD: AVG 0.195529 MAX 0.217087 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.555 MB LDB: ============== END OF LOAD BALANCING =============== 14343.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14343.5 PRESSURE: 4532400 -123.778 -114.815 -50.8421 -114.816 184.088 109.427 -50.8423 109.428 568.938 GPRESSURE: 4532400 -21.2625 -20.0406 -52.1644 -73.1087 190.094 175.414 -139.604 36.8255 529.371 PRESSAVG: 4532400 -21.0663 -2.44631 34.6459 -2.44633 -14.8108 19.3762 34.6459 19.3762 -8.95508 GPRESSAVG: 4532400 -22.5741 -2.02238 34.5182 -3.5899 -15.5432 21.0411 34.2682 16.0104 -6.40621 TIMING: 4532400 CPU: 14331.3, 0.0032409/step Wall: 14331.3, 0.0032409/step, 0.420957 hours remaining, 236.164062 MB of memory in use. ENERGY: 4532400 3997.1892 20513.4541 14499.0500 257.3967 -203646.9274 2780.1376 0.0000 0.0000 52282.8332 -109316.8666 300.4702 -161599.6998 -108955.1408 299.5285 209.7492 232.7343 761435.7999 -14.9441 -14.8411 PRESSURE: 4532600 -132.744 33.2786 -107.167 33.2792 293.399 -119.462 -107.167 -119.464 -27.1981 GPRESSURE: 4532600 -83.0529 -14.5478 -38.0702 -22.2078 373.156 -53.27 -30.6045 -208.949 -77.136 PRESSAVG: 4532600 -27.6503 27.0456 7.26613 27.0456 44.727 -18.5244 7.26611 -18.5244 21.1643 GPRESSAVG: 4532600 -26.1568 26.0262 7.82795 25.4525 44.1671 -17.2719 8.0495 -17.4483 20.6108 TIMING: 4532600 CPU: 14331.9, 0.0031701/step Wall: 14331.9, 0.00317011/step, 0.411585 hours remaining, 236.164062 MB of memory in use. ENERGY: 4532600 3988.2600 20498.2974 14465.1413 265.9355 -203282.3578 2522.4586 0.0000 0.0000 52176.2438 -109366.0212 299.8576 -161542.2650 -108998.5869 299.8959 44.4857 70.9891 761637.6371 12.7470 12.8737 PRESSURE: 4532800 168.26 210.073 76.0757 210.072 -517.749 8.08269 76.076 8.08246 -329.327 GPRESSURE: 4532800 232.523 182.084 122.343 227.206 -509.86 14.48 20.9823 64.7836 -324.892 PRESSAVG: 4532800 -33.2382 25.7985 -13.6957 25.7985 2.842 -53.2265 -13.6957 -53.2265 10.2154 GPRESSAVG: 4532800 -33.4114 28.372 -14.7832 26.9919 5.18038 -55.0444 -12.7789 -53.5946 8.20897 TIMING: 4532800 CPU: 14332.6, 0.00317743/step Wall: 14332.6, 0.00317743/step, 0.41236 hours remaining, 236.164062 MB of memory in use. ENERGY: 4532800 3952.5724 20374.9319 14493.6706 211.0258 -203370.5774 2747.7908 0.0000 0.0000 52127.5555 -109463.0305 299.5778 -161590.5859 -109110.9593 299.3518 -226.2723 -200.7430 763263.1802 -6.7269 -6.6740 PRESSURE: 4533000 -321.355 46.4367 335.686 46.4366 -217.561 -55.1209 335.686 -55.1216 678.287 GPRESSURE: 4533000 -293.677 180.218 291.384 17.3036 -101.981 -54.0505 243.145 -126.938 638.302 PRESSAVG: 4533000 31.7147 25.6568 8.71103 25.6568 -4.38145 -7.94303 8.71098 -7.94308 -12.1492 GPRESSAVG: 4533000 31.7904 25.7428 9.44853 24.4416 -5.48065 -9.2709 7.60092 -6.87246 -11.4947 TIMING: 4533000 CPU: 14333.2, 0.00317829/step Wall: 14333.2, 0.00317829/step, 0.412294 hours remaining, 236.164062 MB of memory in use. ENERGY: 4533000 4016.1147 20544.1384 14496.0367 222.7324 -203314.2651 2609.5917 0.0000 0.0000 52120.1521 -109305.4990 299.5352 -161425.6511 -108946.6339 299.1767 46.4570 80.8813 761230.1321 5.0614 4.9383 PRESSURE: 4533200 -23.3167 37.7844 93.5793 37.7852 -166.046 66.0268 93.5803 66.0257 -250.6 GPRESSURE: 4533200 20.3144 -177.001 -8.21256 41.8616 -118.457 103.137 202.935 66.38 -258.33 PRESSAVG: 4533200 -27.0064 87.8244 7.69909 87.8245 -9.13703 -23.3736 7.69916 -23.3736 16.439 GPRESSAVG: 4533200 -27.7892 86.202 7.22 90.1635 -8.3476 -21.7737 9.04157 -24.3016 16.5924 TIMING: 4533200 CPU: 14333.8, 0.00320846/step Wall: 14333.8, 0.00320846/step, 0.41603 hours remaining, 236.164062 MB of memory in use. ENERGY: 4533200 4029.1735 20531.8695 14372.2521 236.3095 -203397.8168 2733.7292 0.0000 0.0000 52000.3942 -109494.0887 298.8470 -161494.4830 -109131.6710 299.3860 -146.6545 -118.8242 762699.1026 -6.5681 -6.5148 PRESSURE: 4533400 48.6891 -80.0856 32.1499 -80.0857 196.397 49.6957 32.1495 49.6948 -463.221 GPRESSURE: 4533400 10.7758 -115.074 72.7397 -82.5599 199.633 27.8828 129.413 -12.6639 -343.346 PRESSAVG: 4533400 -35.0946 73.6188 -12.7516 73.6189 27.2946 -14.9186 -12.7515 -14.9186 16.8221 GPRESSAVG: 4533400 -34.2516 72.4787 -12.1438 72.6086 25.8013 -14.3773 -13.7291 -12.4813 17.1675 TIMING: 4533400 CPU: 14334.5, 0.00319101/step Wall: 14334.5, 0.00319101/step, 0.413591 hours remaining, 236.164062 MB of memory in use. ENERGY: 4533400 4047.4139 20489.5525 14377.2224 238.7171 -203492.5979 2750.5256 0.0000 0.0000 52110.7314 -109478.4350 299.4811 -161589.1664 -109122.1136 299.1257 -72.7118 -44.3127 762210.2147 3.0074 2.9057 PRESSURE: 4533600 -68.0505 -62.7907 231.085 -62.791 384.779 -3.36187 231.086 -3.36178 338.9 GPRESSURE: 4533600 -51.126 -32.351 209.409 -24.6866 369.751 -15.4817 226.801 -94.6089 423.467 PRESSAVG: 4533600 -65.2053 11.9503 -7.85932 11.9503 44.9298 -67.4439 -7.85936 -67.4438 10.5379 GPRESSAVG: 4533600 -65.0139 13.4891 -8.79892 11.8197 45.0632 -67.3371 -8.39151 -67.9347 10.2644 TIMING: 4533600 CPU: 14335.1, 0.00318524/step Wall: 14335.1, 0.00318524/step, 0.412666 hours remaining, 236.164062 MB of memory in use. ENERGY: 4533600 4018.5907 20648.1712 14414.5069 247.2750 -203682.3471 2948.5427 0.0000 0.0000 52009.1761 -109396.0845 298.8975 -161405.2606 -109034.7909 299.8673 218.5426 247.3641 760341.7257 -3.2459 -3.2288 PRESSURE: 4533800 -248.073 147.758 26.8288 147.758 347.901 -61.6071 26.829 -61.6062 -537.505 GPRESSURE: 4533800 -223.849 -20.9207 22.2321 176.466 414.73 -132.788 -32.0195 -101.661 -532.39 PRESSAVG: 4533800 -29.6257 7.80809 -15.1589 7.80806 51.3862 -1.75385 -15.1589 -1.75383 -7.70092 GPRESSAVG: 4533800 -29.4018 6.1512 -13.3881 9.12199 50.5827 -2.73878 -14.2392 -3.39409 -7.70655 TIMING: 4533800 CPU: 14335.7, 0.0031567/step Wall: 14335.7, 0.0031567/step, 0.408792 hours remaining, 236.164062 MB of memory in use. ENERGY: 4533800 4067.7355 20486.5553 14444.2666 244.0879 -203536.6904 2572.7677 0.0000 0.0000 52191.1003 -109530.1771 299.9430 -161721.2774 -109168.0937 299.2966 -145.8924 -113.8359 762195.1702 4.6865 4.4915 PRESSURE: 4534000 120.7 204.391 29.3393 204.391 46.0359 -70.7001 29.3401 -70.6991 381.104 GPRESSURE: 4534000 158.048 141.718 -26.2175 169.561 56.9077 -10.451 43.379 15.7482 392.755 PRESSAVG: 4534000 -27.5021 31.155 19.3867 31.1549 53.286 -19.9704 19.3866 -19.9704 -0.400565 GPRESSAVG: 4534000 -28.6269 32.0669 17.3549 28.7103 54.0298 -19.1606 17.8699 -19.3045 -0.552142 TIMING: 4534000 CPU: 14336.4, 0.00317396/step Wall: 14336.4, 0.00317396/step, 0.410852 hours remaining, 236.164062 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: 4534000 3959.1864 20755.8920 14416.5377 247.9886 -204042.4075 3131.4724 0.0000 0.0000 52052.6474 -109478.6830 299.1473 -161531.3304 -109110.0974 299.4488 182.6132 202.5702 761650.4136 8.4611 8.2836 PRESSURE: 4534200 56.6899 5.81486 -1.20712 5.81415 10.3333 -4.75589 -1.20748 -4.75742 65.0091 GPRESSURE: 4534200 73.1137 144.981 19.7598 -39.1401 9.16797 29.0303 90.5326 -99.4799 112.513 PRESSAVG: 4534200 -51.8758 -23.8495 40.8874 -23.8494 79.6937 56.8086 40.8874 56.8085 8.26689 GPRESSAVG: 4534200 -52.9078 -21.5181 40.6633 -22.6763 80.3487 57.0471 43.0466 56.5281 8.18594 TIMING: 4534200 CPU: 14337, 0.00314409/step Wall: 14337, 0.00314409/step, 0.40681 hours remaining, 236.164062 MB of memory in use. ENERGY: 4534200 4024.6714 20453.6482 14369.4524 244.9998 -203734.4860 3051.4528 0.0000 0.0000 51834.3955 -109755.8660 297.8930 -161590.2615 -109389.0772 298.7356 44.0107 64.9314 763073.8510 12.0283 11.8756 PRESSURE: 4534400 -46.3783 -33.3436 16.6187 -33.3438 -145.436 -7.24283 16.6184 -7.24287 -244.092 GPRESSURE: 4534400 -7.65924 106.36 -45.9782 22.8881 -180.747 -45.5547 18.1586 -75.8645 -176.562 PRESSAVG: 4534400 -68.7844 28.5054 -1.5401 28.5054 -20.446 -18.8888 -1.54019 -18.8888 -22.5438 GPRESSAVG: 4534400 -66.8684 27.1679 0.22849 29.6038 -21.8365 -19.7824 -4.34581 -19.4568 -22.5391 TIMING: 4534400 CPU: 14337.6, 0.00314046/step Wall: 14337.6, 0.00314046/step, 0.406167 hours remaining, 236.164062 MB of memory in use. ENERGY: 4534400 4011.9633 20592.9398 14447.2779 245.7413 -203470.5071 2677.7055 0.0000 0.0000 51720.7020 -109774.1774 297.2396 -161494.8794 -109412.6971 298.0372 -145.3022 -121.6562 762699.1675 -37.2581 -37.0814 PRESSURE: 4534600 -295.222 -74.5981 -169.385 -74.5988 -319.227 -151.357 -169.384 -151.356 93.1399 GPRESSURE: 4534600 -340.158 -21.5033 -109.402 -4.10027 -209.424 -159.6 -146.384 -35.748 113.953 PRESSAVG: 4534600 -7.69192 37.6551 -1.26065 37.6551 2.52969 -27.828 -1.26065 -27.828 4.37268 GPRESSAVG: 4534600 -9.30785 38.0321 -2.10784 36.1371 4.60419 -27.7809 2.72584 -25.6149 4.09855 TIMING: 4534600 CPU: 14338.3, 0.00313487/step Wall: 14338.3, 0.00313487/step, 0.405268 hours remaining, 236.164062 MB of memory in use. ENERGY: 4534600 4049.2214 20553.4394 14425.7547 237.1370 -203216.8045 2480.5056 0.0000 0.0000 51727.1406 -109743.6059 297.2766 -161470.7465 -109383.1856 298.2528 -173.7697 -145.2096 762466.2144 -0.2632 -0.2017 PRESSURE: 4534800 -412.014 -76.9112 66.1052 -76.9109 11.6634 48.41 66.1062 48.4119 -221.208 GPRESSURE: 4534800 -284.145 24.0178 -43.6025 -90.5058 -127.09 36.3129 85.2325 83.3106 -132.082 PRESSAVG: 4534800 -43.9649 -13.4836 16.363 -13.4836 32.9481 -34.3645 16.363 -34.3645 5.34491 GPRESSAVG: 4534800 -42.8513 -13.8748 16.2506 -13.1522 30.7546 -35.4642 15.1016 -33.4089 6.15372 TIMING: 4534800 CPU: 14338.9, 0.00315115/step Wall: 14338.9, 0.00315115/step, 0.407198 hours remaining, 236.164062 MB of memory in use. ENERGY: 4534800 3982.8356 20488.7359 14407.0239 245.7426 -203230.6770 2468.8273 0.0000 0.0000 51803.8787 -109833.6330 297.7176 -161637.5116 -109479.9465 298.5490 -207.1861 -181.1057 763856.0809 -1.8907 -1.9810 PRESSURE: 4535000 -345.228 -60.8131 -13.7748 -60.8127 -72.7893 -59.8428 -13.7751 -59.8438 -222.669 GPRESSURE: 4535000 -263.56 32.4982 55.1955 -26.3601 10.5837 -47.2195 -54.4974 -158.599 -292.967 PRESSAVG: 4535000 5.10676 12.6718 20.767 12.6717 21.2228 68.6671 20.767 68.6671 -1.81878 GPRESSAVG: 4535000 5.39903 14.4052 22.1789 10.3613 22.8678 69.1617 17.6153 66.6152 -3.84011 TIMING: 4535000 CPU: 14339.5, 0.00314092/step Wall: 14339.5, 0.00314092/step, 0.405702 hours remaining, 236.164062 MB of memory in use. ENERGY: 4535000 3932.0288 20477.1812 14393.7734 232.4562 -203408.0259 2373.1180 0.0000 0.0000 52132.4285 -109867.0399 299.6058 -161999.4684 -109499.7626 298.3633 -213.5619 -181.9812 760862.1000 8.1702 8.1422 PRESSURE: 4535200 -156.804 -80.2839 143.315 -80.2834 -87.0622 80.1135 143.315 80.1124 191.721 GPRESSURE: 4535200 -172.399 -56.9016 75.381 -95.0289 -0.0412259 34.7707 78.1939 44.3231 195.064 PRESSAVG: 4535200 -59.7593 -30.2175 -17.9453 -30.2175 47.1935 24.4946 -17.9453 24.4947 12.8103 GPRESSAVG: 4535200 -60.291 -31.7987 -18.5854 -29.0229 47.6381 25.6038 -15.742 24.4924 13.4855 TIMING: 4535200 CPU: 14340.1, 0.00314059/step Wall: 14340.1, 0.00314059/step, 0.405485 hours remaining, 236.164062 MB of memory in use. ENERGY: 4535200 3870.5926 20625.5726 14480.9547 248.5328 -203466.3225 2649.2913 0.0000 0.0000 51896.0550 -109695.3236 298.2473 -161591.3786 -109335.1312 298.5586 -17.3815 7.5411 761578.2543 0.0815 0.2775 PRESSURE: 4535400 221.301 178.075 -94.6185 178.075 -54.4294 100.147 -94.6188 100.148 195.794 GPRESSURE: 4535400 338.009 178.055 -100.691 50.0032 -69.9651 10.3614 -161.309 153.458 172.337 PRESSAVG: 4535400 -68.7633 -52.4176 30.9729 -52.4177 -13.003 -3.48813 30.9729 -3.48807 9.75581 GPRESSAVG: 4535400 -68.8667 -52.9099 29.628 -52.9589 -13.486 -6.14628 30.766 -3.38211 10.5098 TIMING: 4535400 CPU: 14340.8, 0.00315066/step Wall: 14340.8, 0.00315066/step, 0.40661 hours remaining, 236.164062 MB of memory in use. ENERGY: 4535400 4031.4500 20376.1800 14456.7821 236.0619 -203544.9703 3030.5916 0.0000 0.0000 51881.6476 -109532.2572 298.1645 -161413.9048 -109171.9643 298.7827 120.8883 146.7939 761406.8423 -24.0035 -23.9476 PRESSURE: 4535600 12.6369 -40.0544 -175.482 -40.0543 137.15 -154.987 -175.482 -154.987 332.097 GPRESSURE: 4535600 2.51418 -79.8434 -213.665 -50.4927 214.985 -106.852 -85.7714 -81.4914 335.072 PRESSAVG: 4535600 9.22011 -11.504 -27.9577 -11.504 7.00239 51.0835 -27.9577 51.0835 29.3365 GPRESSAVG: 4535600 9.9345 -10.1798 -27.1964 -10.4742 5.53744 52.4919 -28.1269 50.9153 29.0502 TIMING: 4535600 CPU: 14341.4, 0.00313739/step Wall: 14341.4, 0.00313739/step, 0.404723 hours remaining, 236.164062 MB of memory in use. ENERGY: 4535600 3988.9881 20633.1352 14454.2831 253.5638 -203527.1128 2798.3013 0.0000 0.0000 51922.1354 -109476.7059 298.3972 -161398.8413 -109111.6315 298.5227 160.6278 184.1905 761667.9127 15.1863 14.8407 PRESSURE: 4535800 2.23503 29.7088 -13.4784 29.7089 -337.42 -470.775 -13.4793 -470.776 -191.482 GPRESSURE: 4535800 -59.9386 13.0942 -67.7508 4.38465 -184.476 -429.999 61.8512 -305.027 -213.557 PRESSAVG: 4535800 -37.4285 -9.17977 -67.2471 -9.17981 9.38131 -8.19159 -67.247 -8.19159 -7.70238 GPRESSAVG: 4535800 -40.0726 -10.7954 -66.9057 -8.48781 11.7635 -7.39024 -65.1288 -8.45209 -7.38373 TIMING: 4535800 CPU: 14342, 0.00314596/step Wall: 14342, 0.00314596/step, 0.405654 hours remaining, 236.164062 MB of memory in use. ENERGY: 4535800 3941.2956 20585.5064 14447.8448 257.1832 -203052.4223 2373.5326 0.0000 0.0000 51774.7765 -109672.2832 297.5504 -161447.0597 -109307.8171 298.7479 -175.5558 -152.6571 761230.3033 -11.9165 -11.8976 PRESSURE: 4536000 -62.0414 -14.2577 37.8497 -14.2586 275.593 164.355 37.8498 164.355 44.3563 GPRESSURE: 4536000 -31.2098 -39.863 104.702 69.3328 370.994 110.34 40.834 185.551 15.4683 PRESSAVG: 4536000 -37.8314 -20.0676 -0.499229 -20.0676 98.1711 37.2422 -0.499184 37.2423 20.0839 GPRESSAVG: 4536000 -36.6392 -19.6233 -0.999079 -19.4531 98.0107 36.1917 -1.8376 37.2727 19.1712 TIMING: 4536000 CPU: 14342.7, 0.00315768/step Wall: 14342.7, 0.00315768/step, 0.406989 hours remaining, 236.164062 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: 4536000 3923.4716 20521.4752 14508.3325 242.0769 -203102.4521 2529.0368 0.0000 0.0000 51921.5095 -109456.5497 298.3936 -161378.0591 -109094.0313 298.6744 85.9692 118.4174 759985.9381 26.8079 26.8476 PRESSURE: 4536200 -578.349 144.047 -149.668 144.047 -117.52 165.729 -149.669 165.728 -192.445 GPRESSURE: 4536200 -423.952 68.6788 -65.508 174.163 -98.2709 222.854 -163.23 49.3912 -273.077 PRESSAVG: 4536200 -50.9483 -23.6707 -6.23224 -23.6707 86.2637 -9.24712 -6.23228 -9.24716 -29.7697 GPRESSAVG: 4536200 -49.008 -23.5363 -6.55572 -22.9152 85.5485 -9.57213 -7.15927 -8.33752 -30.6049 TIMING: 4536200 CPU: 14343.3, 0.00314699/step Wall: 14343.3, 0.00314699/step, 0.405438 hours remaining, 236.164062 MB of memory in use. ENERGY: 4536200 4014.6114 20648.9867 14484.9757 232.5180 -203036.9650 2245.3995 0.0000 0.0000 52114.8909 -109295.5828 299.5050 -161410.4737 -108936.3800 299.4202 -296.1050 -265.0999 761879.1132 1.8486 1.9785 LDB: ============= START OF LOAD BALANCING ============== 14355.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14355.8 LDB: =============== DONE WITH MIGRATION ================ 14355.8 LDB: ============= START OF LOAD BALANCING ============== 14356.1 LDB: Largest compute 7078 load 0.035604 is 18.2% of average load 0.195546 LDB: Average compute 0.004383 is 2.2% of average load 0.195546 LDB: TIME 14356.1 LOAD: AVG 0.195546 MAX 0.215075 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.453 MB LDB: TIME 14356.1 LOAD: AVG 0.195546 MAX 0.215075 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: TIME 14356.1 LOAD: AVG 0.195546 MAX 0.215075 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.453 MB LDB: ============== END OF LOAD BALANCING =============== 14356.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14356.2 PRESSURE: 4536400 396.25 -88.8504 -457.35 -88.8498 334.501 -135.09 -457.35 -135.091 336.802 GPRESSURE: 4536400 337.888 -117.074 -459.017 -31.9613 430.379 -54.1953 -237.939 -59.9183 389.581 PRESSAVG: 4536400 -161.97 22.2116 0.855146 22.2116 138.459 12.7127 0.855105 12.7127 34.5688 GPRESSAVG: 4536400 -164.382 21.0548 2.40311 20.9473 138.865 13.8783 1.40193 12.1361 36.5731 TIMING: 4536400 CPU: 14343.9, 0.00321829/step Wall: 14343.9, 0.00321829/step, 0.414444 hours remaining, 238.792969 MB of memory in use. ENERGY: 4536400 4019.0085 20456.5613 14431.3556 241.8980 -203436.4810 2878.8290 0.0000 0.0000 52043.2315 -109365.5970 299.0932 -161408.8285 -109008.3861 299.4937 355.8511 385.9493 760602.5861 3.6860 3.6855 PRESSURE: 4536600 249.795 -17.0392 -17.2264 -17.0395 199.952 165.723 -17.2264 165.723 58.0712 GPRESSURE: 4536600 216.506 92.8182 53.0079 71.5431 278.929 255.701 20.5056 71.1908 107.55 PRESSAVG: 4536600 -77.6739 -17.194 -16.872 -17.1941 106.408 -6.31102 -16.872 -6.31103 -3.24203 GPRESSAVG: 4536600 -77.6191 -16.6222 -16.8356 -15.7292 106.48 -6.9713 -17.5249 -4.65106 -2.86431 TIMING: 4536600 CPU: 14344.6, 0.0031659/step Wall: 14344.6, 0.0031659/step, 0.407522 hours remaining, 238.910156 MB of memory in use. ENERGY: 4536600 3985.0048 20554.3232 14509.2740 258.4746 -203790.9270 2901.0850 0.0000 0.0000 52286.7001 -109296.0652 300.4924 -161582.7653 -108938.6180 299.4479 169.2729 200.9950 761827.7538 8.4975 8.6657 PRESSURE: 4536800 -152.279 -64.7255 255.601 -64.7251 63.6513 123.886 255.601 123.886 -418.147 GPRESSURE: 4536800 -139.391 -20.7381 298.255 -129.156 109.454 56.7606 123.81 -18.3785 -398.834 PRESSAVG: 4536800 -14.1774 -10.4935 9.65944 -10.4935 42.7766 19.4602 9.65943 19.4602 -1.69651 GPRESSAVG: 4536800 -13.5189 -11.0976 9.30638 -10.5182 42.3488 20.4324 9.12207 17.166 -2.08402 TIMING: 4536800 CPU: 14345.2, 0.00317291/step Wall: 14345.2, 0.00317291/step, 0.408248 hours remaining, 238.910156 MB of memory in use. ENERGY: 4536800 4006.0839 20674.3061 14437.3505 236.9433 -203511.2893 2865.1953 0.0000 0.0000 52027.1559 -109264.2543 299.0008 -161291.4102 -108901.5731 299.9616 -168.9249 -142.9239 762843.0329 8.9676 8.9153 PRESSURE: 4537000 358.908 -11.1108 -69.506 -11.1105 -8.28999 -5.21594 -69.5051 -5.21721 240.482 GPRESSURE: 4537000 358.878 10.6185 -95.5206 -82.455 72.6894 14.8444 -0.287622 55.3742 247.065 PRESSAVG: 4537000 -22.7617 2.77927 38.6963 2.77925 42.1821 64.2122 38.6963 64.2122 -18.0756 GPRESSAVG: 4537000 -22.4846 3.36248 38.8233 -0.142516 42.1621 62.307 37.3899 64.4502 -18.2716 TIMING: 4537000 CPU: 14345.8, 0.00315004/step Wall: 14345.8, 0.00315004/step, 0.40513 hours remaining, 239.113281 MB of memory in use. ENERGY: 4537000 3925.9129 20763.4574 14459.8466 249.8403 -203592.1260 2884.4467 0.0000 0.0000 52038.5238 -109270.0983 299.0661 -161308.6221 -108925.7038 299.1454 197.0336 226.2107 762735.4493 0.4482 0.4687 PRESSURE: 4537200 -19.0112 102.981 -20.6946 102.98 -38.3149 -132.12 -20.694 -132.12 432.552 GPRESSURE: 4537200 -35.0086 36.3453 -10.7674 78.6938 68.2514 -260.8 36.8036 -90.1937 430.58 PRESSAVG: 4537200 -27.2757 -21.0561 2.29009 -21.0561 8.64853 35.5632 2.29005 35.5632 10.0021 GPRESSAVG: 4537200 -27.2924 -21.6524 3.34121 -20.8638 9.75117 37.2335 4.64569 33.1203 9.87976 TIMING: 4537200 CPU: 14346.5, 0.00315282/step Wall: 14346.5, 0.00315282/step, 0.405313 hours remaining, 239.113281 MB of memory in use. ENERGY: 4537200 4058.4051 20498.0092 14485.8385 252.1802 -203791.9753 3060.4479 0.0000 0.0000 52141.2969 -109295.7974 299.6568 -161437.0943 -108933.9597 298.9548 125.0752 154.6076 760900.7731 -2.8750 -2.5538 PRESSURE: 4537400 84.3828 248.486 88.9993 248.487 316.361 39.9794 88.9998 39.9797 -71.412 GPRESSURE: 4537400 100.183 243.826 23.7955 231.813 329.204 98.8285 188.1 202.364 -37.4719 PRESSAVG: 4537400 29.2521 3.14549 82.6713 3.14554 -9.55954 5.22229 82.6713 5.22244 -20.9068 GPRESSAVG: 4537400 28.1474 4.49336 82.2014 4.27968 -9.98196 4.56957 82.9636 8.04095 -20.0502 TIMING: 4537400 CPU: 14347.1, 0.00316574/step Wall: 14347.1, 0.00316574/step, 0.406798 hours remaining, 239.113281 MB of memory in use. ENERGY: 4537400 4091.2546 20526.5891 14397.5052 251.2094 -203819.8918 3017.3200 0.0000 0.0000 52039.6710 -109496.3425 299.0727 -161536.0134 -109136.3923 299.1959 109.7774 130.6383 759583.2511 -0.4047 -0.6283 PRESSURE: 4537600 34.1295 145.119 139.343 145.118 171.488 55.3378 139.344 55.3374 288.692 GPRESSURE: 4537600 33.1711 133.094 34.6182 141.112 179.578 91.8178 86.4399 34.8124 372.633 PRESSAVG: 4537600 -6.05247 40.6342 29.3721 40.6342 28.9857 46.9012 29.3721 46.9011 3.81057 GPRESSAVG: 4537600 -5.24323 40.7923 27.8485 39.7797 29.1886 47.3378 28.3125 48.6747 2.99178 TIMING: 4537600 CPU: 14347.7, 0.00315559/step Wall: 14347.7, 0.00315559/step, 0.405318 hours remaining, 239.113281 MB of memory in use. ENERGY: 4537600 3974.4212 20486.6407 14475.5979 261.0339 -203744.8165 3144.4298 0.0000 0.0000 51965.7611 -109436.9318 298.6479 -161402.6929 -109068.6343 299.1749 164.7700 195.1272 761618.6413 8.9146 8.9790 PRESSURE: 4537800 108.501 -204.925 -53.3184 -204.925 1.79434 59.3322 -53.318 59.3313 -154.676 GPRESSURE: 4537800 117.119 -140.921 -74.1095 -282.019 23.6425 -34.6043 37.2424 -8.82711 -95.1299 PRESSAVG: 4537800 -6.70843 24.1978 -34.9105 24.1978 66.9136 47.9529 -34.9105 47.9528 18.9396 GPRESSAVG: 4537800 -7.12966 24.4802 -33.6044 23.3217 66.47 46.0545 -35.0712 46.9882 20.1129 TIMING: 4537800 CPU: 14348.4, 0.00317765/step Wall: 14348.4, 0.00317765/step, 0.407975 hours remaining, 239.113281 MB of memory in use. ENERGY: 4537800 4035.6085 20510.5744 14438.1513 261.7351 -203142.9550 2717.8115 0.0000 0.0000 52144.9335 -109034.1408 299.6776 -161179.0743 -108681.9927 298.8855 -14.7936 15.2104 761196.8782 26.3816 26.4844 PRESSURE: 4538000 -160.681 26.0357 130.063 26.0353 -12.4089 77.8919 130.063 77.8903 -30.5645 GPRESSURE: 4538000 -109.85 -19.1306 174.728 -8.34016 -45.8418 64.7948 17.8052 97.362 8.9887 PRESSAVG: 4538000 -10.7349 1.06603 -0.228367 1.06605 38.4273 -6.97445 -0.228401 -6.97445 13.9992 GPRESSAVG: 4538000 -9.79981 -1.16649 -1.10088 2.6115 37.9093 -5.59441 0.722919 -8.86528 13.0774 TIMING: 4538000 CPU: 14349, 0.00318876/step Wall: 14349, 0.00318876/step, 0.409224 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: 4538000 4064.1319 20664.8897 14561.9740 252.7954 -203466.7165 2643.3119 0.0000 0.0000 52158.9316 -109120.6821 299.7581 -161279.6137 -108758.0517 299.9995 -67.8849 -48.9012 761389.4148 13.8972 13.7289 PRESSURE: 4538200 -190.14 -83.0089 34.151 -83.0097 65.1762 17.7748 34.1509 17.7745 136.506 GPRESSURE: 4538200 -158.458 -61.0155 -82.5343 -32.2995 114.932 43.6161 72.4385 50.8581 129.152 PRESSAVG: 4538200 -6.80643 26.9729 -11.4993 26.9729 29.3879 -2.28875 -11.4992 -2.28872 -3.42444 GPRESSAVG: 4538200 -6.79031 28.9209 -12.3392 25.117 28.7458 -3.49069 -10.2785 -0.642989 -2.57402 TIMING: 4538200 CPU: 14349.6, 0.00318029/step Wall: 14349.6, 0.00318029/step, 0.407961 hours remaining, 239.121094 MB of memory in use. ENERGY: 4538200 3970.2972 20433.3324 14469.2467 248.0013 -203240.2822 2589.6284 0.0000 0.0000 52325.7858 -109203.9904 300.7170 -161529.7762 -108832.4645 299.8148 3.8475 28.5419 763379.3703 6.3857 6.4605 PRESSURE: 4538400 384.212 170.306 11.0572 170.306 -188.813 -115.81 11.0567 -115.81 204.574 GPRESSURE: 4538400 235.344 214.3 -70.2496 124.937 6.3994 -64.0934 -45.212 -139.092 251.28 PRESSAVG: 4538400 -53.6332 6.85009 -18.7036 6.85007 -32.9811 -21.6827 -18.7036 -21.6826 -24.5387 GPRESSAVG: 4538400 -53.748 6.79172 -18.4377 8.33354 -32.5308 -19.6071 -18.4141 -21.5165 -25.3382 TIMING: 4538400 CPU: 14350.3, 0.0031839/step Wall: 14350.3, 0.0031839/step, 0.408247 hours remaining, 239.121094 MB of memory in use. ENERGY: 4538400 3948.5795 20561.3984 14424.8963 267.5638 -203218.9381 2634.6608 0.0000 0.0000 51948.7847 -109433.0546 298.5504 -161381.8393 -109062.4281 299.0227 133.3240 164.3409 759451.5752 -37.0510 -37.2057 PRESSURE: 4538600 50.3386 -0.491785 -175.4 -0.492329 31.4461 450.243 -175.4 450.243 332.605 GPRESSURE: 4538600 138.818 55.8014 -240.32 63.0846 67.9304 483.078 -322.579 321.697 285.308 PRESSAVG: 4538600 7.54473 22.1774 -71.6241 22.1774 27.7897 19.756 -71.624 19.756 27.7145 GPRESSAVG: 4538600 8.11358 21.8863 -72.1319 23.5715 27.4055 17.3541 -72.5444 21.1768 27.0699 TIMING: 4538600 CPU: 14350.9, 0.00318378/step Wall: 14350.9, 0.00318379/step, 0.408055 hours remaining, 239.121094 MB of memory in use. ENERGY: 4538600 3988.4379 20484.9818 14463.9791 256.9975 -203256.6916 2679.7938 0.0000 0.0000 51991.1636 -109391.3378 298.7939 -161382.5014 -109029.9375 299.0661 138.1300 164.0189 761900.3746 21.0163 20.8630 PRESSURE: 4538800 -403.049 -17.0968 37.3125 -17.0971 -447.769 -135.724 37.3132 -135.723 126.132 GPRESSURE: 4538800 -347.842 -27.0826 46.6799 -59.0222 -402.169 -133.034 79.9114 -151.289 101.949 PRESSAVG: 4538800 -48.0776 34.2155 -23.9072 34.2154 21.359 -23.8132 -23.9072 -23.8133 -12.4133 GPRESSAVG: 4538800 -48.491 33.2063 -22.5259 31.6122 22.7307 -23.6369 -25.4314 -25.702 -13.4417 TIMING: 4538800 CPU: 14351.5, 0.00318402/step Wall: 14351.5, 0.00318402/step, 0.407908 hours remaining, 239.121094 MB of memory in use. ENERGY: 4538800 4019.2728 20718.3218 14491.4806 238.2216 -202932.4764 2326.1880 0.0000 0.0000 51473.6098 -109665.3818 295.8195 -161138.9916 -109317.7146 298.6678 -241.5620 -216.0209 763204.0551 -13.0440 -13.0673 PRESSURE: 4539000 -12.4229 100.025 147.878 100.025 87.5305 -159.13 147.877 -159.13 8.80801 GPRESSURE: 4539000 29.7669 240.737 178.657 13.85 154.946 -219.213 46.8578 -90.5659 -6.76333 PRESSAVG: 4539000 -17.6311 33.8922 21.8731 33.8922 -17.5869 -23.1088 21.8731 -23.1089 6.35069 GPRESSAVG: 4539000 -18.3394 34.9473 20.9329 36.0013 -18.7886 -20.8353 22.919 -23.786 8.46964 TIMING: 4539000 CPU: 14352.2, 0.00318571/step Wall: 14352.2, 0.00318571/step, 0.407948 hours remaining, 239.121094 MB of memory in use. ENERGY: 4539000 3923.9153 20577.9770 14506.7006 237.6791 -203613.2062 2693.6501 0.0000 0.0000 52180.1174 -109493.1665 299.8799 -161673.2840 -109126.5791 298.6854 27.9719 59.3164 761300.5164 -9.6224 -9.5528 PRESSURE: 4539200 120.923 -126.981 151.72 -126.981 -204.282 -64.2456 151.721 -64.2466 156.964 GPRESSURE: 4539200 137.355 72.6302 109.788 45.509 -121.836 -21.2285 89.8097 -83.0898 143.74 PRESSAVG: 4539200 49.2545 -2.01107 21.7678 -2.01117 -34.7336 -35.4285 21.7678 -35.4285 2.25136 GPRESSAVG: 4539200 49.8727 -1.1403 22.3197 -1.25576 -35.3786 -36.2382 21.8234 -35.9787 2.32398 TIMING: 4539200 CPU: 14352.8, 0.00320397/step Wall: 14352.8, 0.00320397/step, 0.410108 hours remaining, 239.121094 MB of memory in use. ENERGY: 4539200 3952.5390 20672.0016 14466.6016 247.9437 -203683.7915 2792.0291 0.0000 0.0000 51920.9847 -109631.6920 298.3906 -161552.6767 -109269.1304 298.9000 24.5349 53.0866 760652.5408 5.5907 5.6060 PRESSURE: 4539400 393.09 165.687 -129.86 165.687 225.594 0.93041 -129.859 0.930977 576.276 GPRESSURE: 4539400 453.305 131.852 -35.8591 98.159 260.498 93.6615 -171.859 2.58121 553.971 PRESSAVG: 4539400 52.879 23.1873 -8.50155 23.1873 -13.7019 -14.6261 -8.50153 -14.626 -1.06608 GPRESSAVG: 4539400 53.5022 22.1209 -9.86279 22.5758 -12.9964 -15.4536 -9.63362 -14.6854 -2.1601 TIMING: 4539400 CPU: 14353.5, 0.00317334/step Wall: 14353.5, 0.00317334/step, 0.406011 hours remaining, 239.121094 MB of memory in use. ENERGY: 4539400 3852.0286 20531.4301 14459.4462 264.1637 -203552.1589 2880.2726 0.0000 0.0000 51734.8180 -109829.9996 297.3207 -161564.8176 -109464.9897 298.4381 398.3201 422.5913 761858.3916 12.7037 12.7819 PRESSURE: 4539600 -35.1699 -4.14853 -5.97313 -4.14819 -160.929 -123.437 -5.97333 -123.437 65.8772 GPRESSURE: 4539600 -72.7829 39.6106 8.09629 32.2243 -88.9055 -159.394 63.1507 -121.435 97.0441 PRESSAVG: 4539600 -51.6599 61.639 -3.76652 61.639 30.4231 39.2858 -3.76652 39.2857 8.49267 GPRESSAVG: 4539600 -51.7431 60.5463 -2.79257 61.7511 30.5202 39.8077 -1.03865 39.5047 8.90394 TIMING: 4539600 CPU: 14354.1, 0.00316284/step Wall: 14354.1, 0.00316284/step, 0.404492 hours remaining, 239.121094 MB of memory in use. ENERGY: 4539600 4010.8228 20778.4553 14354.5395 263.4152 -203498.6404 2590.9335 0.0000 0.0000 51825.5088 -109674.9653 297.8419 -161500.4741 -109326.1923 298.2182 -43.4073 -21.5481 762126.2511 -4.2480 -4.1063 PRESSURE: 4539800 68.7861 40.4958 156.943 40.4958 -14.9514 -223.378 156.943 -223.379 265.717 GPRESSURE: 4539800 152.107 100.15 115.33 78.3195 61.0004 -215.531 22.5606 -324.239 211.592 PRESSAVG: 4539800 -46.1812 20.6977 25.9776 20.6977 10.3224 8.63952 25.9776 8.63952 -13.9456 GPRESSAVG: 4539800 -46.954 23.2261 25.4632 18.965 10.6283 7.41412 25.2875 8.56015 -13.3501 TIMING: 4539800 CPU: 14354.7, 0.00318408/step Wall: 14354.7, 0.00318408/step, 0.407032 hours remaining, 239.121094 MB of memory in use. ENERGY: 4539800 3971.4687 20409.6080 14399.5286 263.2706 -203573.5463 2733.5064 0.0000 0.0000 52249.1665 -109546.9975 300.2767 -161796.1640 -109175.3783 298.7588 106.5171 141.5664 760784.6758 -16.6015 -16.5586 PRESSURE: 4540000 -26.4529 113.744 93.2683 113.743 106.028 142.441 93.2681 142.441 234.577 GPRESSURE: 4540000 97.4989 153.674 35.5862 9.6608 66.5722 120.333 103.694 211.157 241.918 PRESSAVG: 4540000 -19.5064 41.8926 34.8254 41.8926 18.867 55.7808 34.8254 55.7808 -22.4197 GPRESSAVG: 4540000 -18.8102 41.3873 34.5439 41.4178 17.9622 55.617 34.5422 57.5226 -22.2016 TIMING: 4540000 CPU: 14355.4, 0.00315712/step Wall: 14355.4, 0.00315712/step, 0.403409 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: 4540000 3973.7833 20411.9551 14445.7669 260.7879 -203641.4713 2820.7023 0.0000 0.0000 52203.8268 -109524.6491 300.0161 -161728.4759 -109148.7794 298.7000 104.7174 135.3297 763503.8958 -7.6864 -7.6832 PRESSURE: 4540200 -181.491 197.315 152.212 197.315 -2.65943 -80.5342 152.212 -80.5336 -174.614 GPRESSURE: 4540200 -179.142 54.1647 184.592 227.145 38.698 -11.6198 150.609 -121.841 -132.119 PRESSAVG: 4540200 -22.8144 10.1343 10.5122 10.1343 -37.0521 -7.30153 10.5121 -7.30156 -1.94464 GPRESSAVG: 4540200 -23.4875 8.32743 11.1595 10.9657 -35.4692 -6.7816 8.9625 -7.28292 -2.03922 TIMING: 4540200 CPU: 14356, 0.00316016/step Wall: 14356, 0.00316016/step, 0.403622 hours remaining, 239.121094 MB of memory in use. ENERGY: 4540200 3979.8033 20633.5907 14474.0501 255.2382 -203352.2812 2452.6970 0.0000 0.0000 51919.3063 -109637.5957 298.3810 -161556.9020 -109271.6978 298.2363 -119.5881 -90.8544 763678.7922 -20.6037 -20.3320 LDB: ============= START OF LOAD BALANCING ============== 14368.5 LDB: ============== END OF LOAD BALANCING =============== 14368.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.5 LDB: ============= START OF LOAD BALANCING ============== 14368.9 LDB: Largest compute 7078 load 0.033159 is 17.0% of average load 0.195613 LDB: Average compute 0.004406 is 2.3% of average load 0.195613 LDB: TIME 14368.9 LOAD: AVG 0.195613 MAX 0.215744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.383 MB LDB: TIME 14368.9 LOAD: AVG 0.195613 MAX 0.215744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: TIME 14368.9 LOAD: AVG 0.195613 MAX 0.215744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.48 MB LDB: ============== END OF LOAD BALANCING =============== 14368.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.9 PRESSURE: 4540400 -200.451 -25.1951 181.608 -25.1951 -377.112 -111.953 181.608 -111.954 -111.794 GPRESSURE: 4540400 -209.102 -55.1361 194.681 83.1942 -332.498 13.3719 197.226 -93.9868 -57.4658 PRESSAVG: 4540400 -31.2601 25.3282 79.9315 25.3281 65.3261 19.2968 79.9315 19.2968 13.9873 GPRESSAVG: 4540400 -31.8757 25.5379 79.1941 28.7241 65.6059 19.4087 81.8788 18.034 13.5055 TIMING: 4540400 CPU: 14356.6, 0.00326923/step Wall: 14356.6, 0.00326923/step, 0.417372 hours remaining, 237.691406 MB of memory in use. ENERGY: 4540400 4019.1767 20578.8845 14503.8461 237.3320 -203442.6225 2663.9162 0.0000 0.0000 51828.9034 -109610.5636 297.8614 -161439.4670 -109250.8421 298.5890 -229.7858 -199.6886 763657.9084 16.0178 15.7452 PRESSURE: 4540600 -171.355 57.1338 -186.417 57.1336 248.088 -167.638 -186.416 -167.638 -44.1725 GPRESSURE: 4540600 -152.498 72.0784 -130.533 -5.40901 333.493 -100.442 -153.812 -96.2706 -65.5143 PRESSAVG: 4540600 -51.5185 -18.9619 45.2159 -18.9619 70.6597 5.66892 45.2159 5.66889 3.11297 GPRESSAVG: 4540600 -50.5921 -17.5321 45.7328 -22.556 69.619 6.88862 45.7721 6.19791 3.36902 TIMING: 4540600 CPU: 14357.3, 0.0031836/step Wall: 14357.3, 0.0031836/step, 0.406262 hours remaining, 237.761719 MB of memory in use. ENERGY: 4540600 3989.3346 20661.8599 14510.0148 248.4361 -203530.8585 2829.0245 0.0000 0.0000 51634.7924 -109657.3961 296.7459 -161292.1885 -109293.7554 298.7313 10.8534 38.4937 763589.6534 7.4181 7.4653 PRESSURE: 4540800 82.9289 108.849 199.749 108.849 396.03 94.9864 199.748 94.9872 124.997 GPRESSURE: 4540800 196.992 115.672 156.521 61.666 393.76 120.766 72.9712 -105.18 90.7416 PRESSAVG: 4540800 -10.4428 -32.5199 49.2235 -32.5199 31.2566 -3.6005 49.2234 -3.60052 0.208576 GPRESSAVG: 4540800 -11.3279 -32.7007 49.0367 -31.8084 32.6545 -5.10783 47.6207 -5.38194 0.0715962 TIMING: 4540800 CPU: 14357.9, 0.00317191/step Wall: 14357.9, 0.00317191/step, 0.404595 hours remaining, 237.761719 MB of memory in use. ENERGY: 4540800 3944.5474 20389.7712 14559.2384 241.2721 -203644.0235 2948.9144 0.0000 0.0000 51701.5199 -109858.7601 297.1293 -161560.2800 -109493.3310 298.4602 201.3186 227.1643 763426.4328 7.0074 7.1327 PRESSURE: 4541000 37.31 14.7103 31.3821 14.7099 265.971 155.671 31.3826 155.671 -34.6497 GPRESSURE: 4541000 111.593 -52.2885 33.5655 124.578 273.141 107.682 68.6133 214.835 -12.924 PRESSAVG: 4541000 -37.2661 -29.595 82.0737 -29.5949 43.5813 23.2192 82.0738 23.2191 -1.73251 GPRESSAVG: 4541000 -36.345 -28.3715 81.3871 -28.2422 42.2939 23.2368 82.3901 22.6915 -0.933579 TIMING: 4541000 CPU: 14358.6, 0.00316421/step Wall: 14358.6, 0.00316421/step, 0.403437 hours remaining, 237.761719 MB of memory in use. ENERGY: 4541000 3997.7353 20381.7147 14476.9621 251.7809 -203937.6035 3067.4353 0.0000 0.0000 51894.1051 -109867.8703 298.2361 -161761.9754 -109509.8249 297.5666 89.5437 123.9366 762672.6625 1.5276 1.6718 PRESSURE: 4541200 155.943 -254.788 -43.4064 -254.789 -149.335 -57.4764 -43.4066 -57.4774 -224.671 GPRESSURE: 4541200 239.833 -217.048 -1.41775 -216.363 -128.239 26.3734 91.5953 -111.737 -231.442 PRESSAVG: 4541200 -6.99025 -22.8906 -7.3157 -22.8906 17.6066 0.452372 -7.31578 0.45237 1.61809 GPRESSAVG: 4541200 -6.4969 -25.1327 -5.40946 -22.3734 18.4863 0.0883475 -7.22141 1.57843 0.453797 TIMING: 4541200 CPU: 14359.2, 0.00315106/step Wall: 14359.2, 0.00315107/step, 0.401586 hours remaining, 237.761719 MB of memory in use. ENERGY: 4541200 3938.6762 20520.3180 14436.2712 249.0915 -203652.2294 2792.1527 0.0000 0.0000 52072.8905 -109642.8293 299.2636 -161715.7198 -109291.9014 298.3030 -72.6874 -39.9493 761305.3547 4.0781 4.1477 PRESSURE: 4541400 19.2706 -305.468 123.92 -305.467 -28.7531 -59.9588 123.92 -59.9608 264.975 GPRESSURE: 4541400 123.178 -240.445 136.224 -283.466 -30.4645 22.879 159.895 22.3607 260.765 PRESSAVG: 4541400 -74.3177 -18.312 11.6068 -18.312 37.9423 -32.0676 11.6068 -32.0677 19.4087 GPRESSAVG: 4541400 -73.4471 -16.9646 11.5345 -18.5791 37.02 -32.2385 10.7953 -30.9059 19.5015 TIMING: 4541400 CPU: 14359.8, 0.00312962/step Wall: 14359.8, 0.00312962/step, 0.398679 hours remaining, 237.761719 MB of memory in use. ENERGY: 4541400 3984.1221 20396.4168 14449.6746 268.0456 -203692.6441 2923.3046 0.0000 0.0000 52039.4252 -109631.6551 299.0713 -161671.0803 -109277.3035 298.6675 85.1643 117.8263 762115.9262 -5.6556 -5.6419 PRESSURE: 4541600 -50.6057 75.5548 -84.9151 75.5558 174.388 -65.6859 -84.9158 -65.6859 -174.969 GPRESSURE: 4541600 -53.6205 91.0195 -69.9393 53.5844 284.456 -92.3754 -73.1149 73.9266 -180.031 PRESSAVG: 4541600 -48.3051 0.998455 3.04055 0.99838 53.1724 -25.3654 3.04056 -25.3655 -14.9721 GPRESSAVG: 4541600 -50.1831 2.11362 4.02816 -2.04419 53.8907 -24.3332 4.30565 -26.4186 -14.0108 TIMING: 4541600 CPU: 14360.4, 0.00317/step Wall: 14360.4, 0.00317/step, 0.403647 hours remaining, 237.761719 MB of memory in use. ENERGY: 4541600 4009.0740 20597.3226 14431.2528 248.4053 -204162.2961 3227.7207 0.0000 0.0000 51940.7092 -109707.8116 298.5040 -161648.5207 -109351.6580 298.7462 -17.0622 16.9346 762970.3998 -3.3682 -3.4344 PRESSURE: 4541800 -209.436 -204.797 -111.439 -204.798 -362.481 -241.708 -111.439 -241.707 -332.529 GPRESSURE: 4541800 -365.621 -214.455 -136.498 -101.746 -149.037 -285.732 -154.673 -193.478 -322.463 PRESSAVG: 4541800 -1.98082 -16.3379 6.68439 -16.3379 31.9531 6.64915 6.68438 6.64928 20.9302 GPRESSAVG: 4541800 -1.85614 -20.0735 4.68605 -12.9644 31.4029 8.12101 6.70583 6.30727 20.9616 TIMING: 4541800 CPU: 14361.1, 0.00315407/step Wall: 14361.1, 0.00315407/step, 0.401443 hours remaining, 237.761719 MB of memory in use. ENERGY: 4541800 3987.2701 20460.1002 14434.2998 262.7852 -203367.3587 2667.8323 0.0000 0.0000 52032.9533 -109522.1178 299.0341 -161555.0711 -109162.0000 299.0099 -301.4816 -279.0404 764108.5284 16.9675 16.8361 PRESSURE: 4542000 -105.6 45.7754 -160.343 45.7752 -333.579 82.3534 -160.342 82.3518 90.7005 GPRESSURE: 4542000 -108.928 93.4273 -64.0678 -57.1014 -310.235 -21.2942 -183.096 16.6053 161.259 PRESSAVG: 4542000 -12.0723 -5.12383 -23.2375 -5.12382 15.6001 7.67524 -23.2375 7.67526 -27.0034 GPRESSAVG: 4542000 -11.8723 -2.29098 -23.0968 -6.47108 16.9021 6.0391 -22.7061 8.39864 -27.9824 TIMING: 4542000 CPU: 14361.7, 0.00316256/step Wall: 14361.7, 0.00316256/step, 0.402348 hours remaining, 237.761719 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: 4542000 3988.9226 20451.7902 14496.6770 256.9365 -203606.3123 2749.0346 0.0000 0.0000 51952.3369 -109710.6144 298.5708 -161662.9514 -109339.0991 299.2307 -116.1593 -85.9682 761849.4957 -7.8252 -7.6509 PRESSURE: 4542200 -83.7878 220.067 -76.2855 220.067 21.9197 40.6719 -76.2862 40.6723 81.2791 GPRESSURE: 4542200 -96.421 196.679 -50.881 228.491 92.3225 94.7438 -39.6515 -58.8984 110.743 PRESSAVG: 4542200 -46.1081 14.338 -41.0054 14.338 31.4724 51.6225 -41.0054 51.6225 9.3104 GPRESSAVG: 4542200 -46.953 14.1281 -42.8665 13.3055 30.7333 51.7793 -40.5695 51.0773 10.8333 TIMING: 4542200 CPU: 14362.3, 0.00315414/step Wall: 14362.3, 0.00315414/step, 0.401101 hours remaining, 237.761719 MB of memory in use. ENERGY: 4542200 3937.3112 20497.3136 14492.7533 252.8990 -203620.6546 2875.8029 0.0000 0.0000 52014.1682 -109550.4065 298.9261 -161564.5747 -109186.5354 298.7708 6.4703 35.5480 761073.5620 -1.7751 -1.7955 PRESSURE: 4542400 223.806 -1.57076 -259.831 -1.57 175.365 5.10524 -259.832 5.10635 115.968 GPRESSURE: 4542400 232.798 -83.2771 -174.053 -22.4495 179.116 30.4691 -273.958 16.4439 207.951 PRESSAVG: 4542400 -31.5795 11.9355 33.5682 11.9355 71.4201 -24.0845 33.5681 -24.0847 -20.8254 GPRESSAVG: 4542400 -30.2602 10.9241 35.0632 12.218 71.585 -25.1198 34.4047 -21.3085 -22.0146 TIMING: 4542400 CPU: 14363, 0.00318097/step Wall: 14363, 0.00318097/step, 0.404337 hours remaining, 237.761719 MB of memory in use. ENERGY: 4542400 3948.5456 20378.6610 14406.3274 233.4729 -203433.1072 2804.8693 0.0000 0.0000 52213.4696 -109447.7613 300.0715 -161661.2309 -109088.7026 298.9596 171.7129 206.6216 761597.9771 6.3384 6.4367 PRESSURE: 4542600 118.829 59.4062 -90.5435 59.4049 -104.946 335.704 -90.5432 335.703 6.94552 GPRESSURE: 4542600 154.083 76.9357 -143.923 39.5922 -19.3141 412.726 -94.5237 264.411 -26.1525 PRESSAVG: 4542600 43.6162 20.6229 -28.9648 20.6229 -30.1796 34.4969 -28.9649 34.4968 9.40292 GPRESSAVG: 4542600 43.1551 19.6272 -28.2412 21.2182 -30.3253 35.2353 -31.0652 30.5619 9.75521 TIMING: 4542600 CPU: 14363.6, 0.00315746/step Wall: 14363.6, 0.00315746/step, 0.401173 hours remaining, 237.761719 MB of memory in use. ENERGY: 4542600 3888.4073 20469.5298 14422.0035 258.2302 -203021.2389 2425.3555 0.0000 0.0000 51939.3785 -109618.3340 298.4963 -161557.7125 -109252.3927 298.6944 6.9429 36.2056 762046.0932 7.6132 7.5283 PRESSURE: 4542800 106.552 -48.3634 -212.947 -48.3629 256.075 -107.369 -212.947 -107.37 -210.542 GPRESSURE: 4542800 127.073 -36.609 -135.831 6.32205 328.391 -106.095 -195.509 -4.78127 -211.578 PRESSAVG: 4542800 -19.9177 11.5828 34.6701 11.5829 33.5858 25.1256 34.6701 25.1256 10.2073 GPRESSAVG: 4542800 -18.8581 10.8376 34.7582 13.0444 33.6752 26.1027 35.2923 26.8988 9.23515 TIMING: 4542800 CPU: 14364.2, 0.00316759/step Wall: 14364.2, 0.00316759/step, 0.402283 hours remaining, 237.761719 MB of memory in use. ENERGY: 4542800 3851.6660 20438.2473 14446.3173 258.8979 -203547.3196 2667.7912 0.0000 0.0000 52017.3600 -109867.0399 298.9445 -161884.3999 -109503.0064 298.6559 50.6952 81.2955 761934.7186 7.9585 8.0174 PRESSURE: 4543000 -411.544 66.8736 -17.2657 66.8726 -510.833 117.326 -17.2666 117.325 -260.821 GPRESSURE: 4543000 -313.609 113.087 -34.0293 26.2858 -477.625 129.396 56.9687 54.8818 -295.558 PRESSAVG: 4543000 27.385 -7.47638 30.2234 -7.4764 25.9351 64.0133 30.2234 64.0134 19.4376 GPRESSAVG: 4543000 28.2102 -5.30674 30.4347 -8.9528 25.2551 62.2896 30.0153 63.7166 19.5598 TIMING: 4543000 CPU: 14364.9, 0.00319492/step Wall: 14364.9, 0.00319492/step, 0.405578 hours remaining, 237.761719 MB of memory in use. ENERGY: 4543000 3930.7643 20467.6888 14440.7684 245.6642 -202967.7944 2096.5377 0.0000 0.0000 52212.5318 -109573.8391 300.0661 -161786.3710 -109208.9722 298.9911 -394.3995 -362.2640 761954.0451 24.2526 24.3417 PRESSURE: 4543200 -358.479 21.3855 -45.7009 21.3847 -87.1851 106.813 -45.7007 106.814 -522.627 GPRESSURE: 4543200 -310.837 -0.343902 -20.2207 -66.5055 -32.2893 202.808 88.6634 -106.536 -553.871 PRESSAVG: 4543200 -10.209 -51.7646 -19.0046 -51.7647 -10.1613 -16.7289 -19.0046 -16.7289 6.565 GPRESSAVG: 4543200 -11.4226 -50.4166 -20.4374 -52.2229 -9.67955 -14.7806 -17.0458 -18.3436 7.31373 TIMING: 4543200 CPU: 14365.5, 0.00315891/step Wall: 14365.5, 0.00315891/step, 0.400831 hours remaining, 237.761719 MB of memory in use. ENERGY: 4543200 4064.5514 20471.6870 14469.4506 254.7390 -203437.7446 2703.6302 0.0000 0.0000 51931.1479 -109542.5385 298.4490 -161473.6863 -109172.3543 298.6316 -322.7638 -298.9989 760782.9353 -4.6018 -4.5961 PRESSURE: 4543400 336.551 128.76 -23.1796 128.76 224.045 59.6149 -23.1792 59.6152 214.042 GPRESSURE: 4543400 292.801 80.9283 -74.043 -33.9866 293.362 6.12254 -193.781 -48.7583 265.702 PRESSAVG: 4543400 29.1422 23.778 4.94745 23.778 -17.9596 -11.7873 4.94748 -11.7874 4.03409 GPRESSAVG: 4543400 29.1329 22.6421 4.71969 25.3691 -18.0371 -12.0856 3.87002 -11.6196 4.22045 TIMING: 4543400 CPU: 14366.1, 0.00315233/step Wall: 14366.1, 0.00315233/step, 0.39982 hours remaining, 237.761719 MB of memory in use. ENERGY: 4543400 3941.7487 20588.2461 14473.0554 261.3140 -203766.1907 3039.0862 0.0000 0.0000 51960.7233 -109502.0170 298.6190 -161462.7402 -109131.9229 298.9084 258.2127 283.9551 761878.9532 5.0722 5.1054 PRESSURE: 4543600 -36.9115 -19.0202 -171.397 -19.02 -222.062 27.4326 -171.397 27.4342 111.582 GPRESSURE: 4543600 -83.4581 -30.9379 -152.077 37.455 -124.467 71.4712 -146.611 -18.5992 145.707 PRESSAVG: 4543600 -2.75726 27.5813 -52.8266 27.5812 2.92372 6.62802 -52.8266 6.62803 5.57422 GPRESSAVG: 4543600 -2.60837 28.5566 -52.6986 26.5256 2.82302 7.37764 -51.7979 7.28804 5.91933 TIMING: 4543600 CPU: 14366.8, 0.00314222/step Wall: 14366.8, 0.00314222/step, 0.398364 hours remaining, 237.761719 MB of memory in use. ENERGY: 4543600 3971.0276 20442.6027 14434.6596 245.6035 -203119.8076 2468.2126 0.0000 0.0000 52238.6881 -109319.0135 300.2165 -161557.7016 -108953.1893 299.1727 -49.1305 -20.7394 762178.3507 1.9136 2.0447 PRESSURE: 4543800 -344.051 -115.792 233.541 -115.792 198.125 38.0566 233.54 38.0573 224.868 GPRESSURE: 4543800 -337.974 -55.8057 228.918 -129.462 282.561 -30.2459 131.442 109.829 214.884 PRESSAVG: 4543800 -44.8821 -37.335 52.0699 -37.335 13.0058 -6.0787 52.0699 -6.07871 -6.3081 GPRESSAVG: 4543800 -44.6029 -36.7986 51.8904 -36.9205 13.5637 -7.45336 48.3792 -4.72156 -7.25613 TIMING: 4543800 CPU: 14367.4, 0.00315086/step Wall: 14367.4, 0.00315086/step, 0.399284 hours remaining, 237.761719 MB of memory in use. ENERGY: 4543800 3874.2614 20659.3794 14532.5281 251.3553 -203707.2518 2964.9758 0.0000 0.0000 52164.0140 -109260.7377 299.7873 -161424.7517 -108895.3759 299.1771 26.3137 53.1569 762003.3449 -12.7281 -12.7651 PRESSURE: 4544000 -171.395 176.363 -395.766 176.363 -190.263 -128.644 -395.767 -128.645 64.7083 GPRESSURE: 4544000 -182.126 74.813 -335.477 166.295 -93.2792 -180.08 -308.032 -1.9578 74.0469 PRESSAVG: 4544000 -19.184 -0.239241 77.7218 -0.239221 51.1715 1.92047 77.7219 1.9205 13.6488 GPRESSAVG: 4544000 -19.0805 -1.31771 78.2794 0.225409 50.5913 1.54736 81.3168 2.40354 14.5713 TIMING: 4544000 CPU: 14368, 0.00315977/step Wall: 14368, 0.00315977/step, 0.400238 hours remaining, 237.761719 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: 4544000 4026.6557 20592.9096 14523.8072 261.8306 -202988.0040 2298.6668 0.0000 0.0000 52127.5179 -109156.6163 299.5776 -161284.1342 -108805.3871 299.2634 -98.9830 -67.1196 763030.6960 15.2121 15.3607 PRESSURE: 4544200 35.9941 275.594 -149.972 275.594 -359.843 -145.96 -149.972 -145.961 -12.6978 GPRESSURE: 4544200 119.925 295.039 -176.962 143.734 -383.484 -59.1974 -31.8389 -191.853 13.0316 PRESSAVG: 4544200 13.8051 -9.32461 -51.7268 -9.32459 4.70915 -30.0481 -51.7268 -30.048 -12.9449 GPRESSAVG: 4544200 14.3508 -8.67079 -51.5152 -8.09496 5.13562 -30.2041 -52.6069 -28.354 -13.3907 TIMING: 4544200 CPU: 14368.7, 0.00315566/step Wall: 14368.7, 0.00315566/step, 0.399541 hours remaining, 237.761719 MB of memory in use. ENERGY: 4544200 3926.2569 20639.5056 14468.1057 249.9174 -203468.3417 2695.7598 0.0000 0.0000 52352.3195 -109136.4768 300.8695 -161488.7963 -108764.9574 300.1484 -112.1823 -83.5090 761956.4607 1.8564 2.0319 LDB: ============= START OF LOAD BALANCING ============== 14381.2 LDB: ============== END OF LOAD BALANCING =============== 14381.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14381.2 LDB: ============= START OF LOAD BALANCING ============== 14381.5 LDB: Largest compute 7078 load 0.035652 is 18.2% of average load 0.195497 LDB: Average compute 0.004388 is 2.2% of average load 0.195497 LDB: TIME 14381.5 LOAD: AVG 0.195497 MAX 0.21705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.773 MB LDB: TIME 14381.5 LOAD: AVG 0.195497 MAX 0.21705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: TIME 14381.5 LOAD: AVG 0.195497 MAX 0.21705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.773 MB LDB: ============== END OF LOAD BALANCING =============== 14381.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14381.5 PRESSURE: 4544400 14.5289 64.5447 142.471 64.5445 173.054 -243.66 142.47 -243.66 -132.92 GPRESSURE: 4544400 47.445 38.3647 203.12 131.335 136.919 -217.075 131.188 -224.453 -31.3713 PRESSAVG: 4544400 -1.61183 -75.7571 10.5752 -75.757 15.3701 -22.6976 10.5752 -22.6976 -2.97701 GPRESSAVG: 4544400 -1.58944 -76.668 9.52476 -76.8453 15.6618 -20.1831 11.5337 -25.0478 -3.153 TIMING: 4544400 CPU: 14369.3, 0.00322776/step Wall: 14369.3, 0.00322776/step, 0.408491 hours remaining, 237.648438 MB of memory in use. ENERGY: 4544400 3956.6880 20638.7767 14573.7864 254.7606 -203681.1842 2696.8324 0.0000 0.0000 52300.2526 -109260.0876 300.5703 -161560.3401 -108897.4663 300.1752 18.2213 50.9975 760807.7149 3.5938 3.6398 PRESSURE: 4544600 80.8761 -268.138 -185.51 -268.138 -9.5735 -47.5127 -185.51 -47.5117 191.505 GPRESSURE: 4544600 154.917 -229.387 -216.487 -340.725 -52.0332 22.991 -248.784 21.9239 245.143 PRESSAVG: 4544600 -13.5162 -28.1583 -22.3041 -28.1582 19.5855 2.53927 -22.304 2.53927 -32.4431 GPRESSAVG: 4544600 -13.3315 -26.657 -19.5132 -29.4233 17.701 1.86768 -24.9885 2.89555 -31.0385 TIMING: 4544600 CPU: 14369.9, 0.00316348/step Wall: 14369.9, 0.00316348/step, 0.40018 hours remaining, 237.792969 MB of memory in use. ENERGY: 4544600 3961.5189 20512.5726 14524.7154 259.4195 -203146.8314 2595.9029 0.0000 0.0000 52024.0587 -109268.6434 298.9830 -161292.7021 -108898.1497 299.4294 87.6024 116.0090 760777.3149 -8.7912 -8.8896 PRESSURE: 4544800 -74.1858 108.842 140.821 108.842 -37.0907 -171.525 140.82 -171.525 225.561 GPRESSURE: 4544800 -19.2224 240.121 217.361 76.0969 1.14653 -183.964 26.9825 -235.151 226.297 PRESSAVG: 4544800 -20.7449 -3.00809 -22.989 -3.00806 16.4921 -35.5208 -22.9889 -35.5208 -4.22921 GPRESSAVG: 4544800 -21.4901 -4.08206 -24.1332 -0.344694 17.7941 -36.6568 -24.0977 -37.1894 -4.69978 TIMING: 4544800 CPU: 14370.6, 0.00317615/step Wall: 14370.6, 0.00317615/step, 0.401606 hours remaining, 238.035156 MB of memory in use. ENERGY: 4544800 3949.6770 20703.4540 14498.1761 241.5376 -203358.0696 2876.4719 0.0000 0.0000 51923.5083 -109165.2449 298.4051 -161088.7532 -108810.7914 299.8130 38.0948 69.4072 762701.5381 -2.8273 -2.7986 PRESSURE: 4545000 -137.343 188.671 -293.354 188.671 -407.53 -27.8559 -293.355 -27.8559 -178.063 GPRESSURE: 4545000 -158.059 169.893 -300.632 171.462 -320.565 -11.6196 -217.68 -49.1773 -171.08 PRESSAVG: 4545000 17.2117 14.9019 -14.1365 14.9019 -47.02 -11.0865 -14.1365 -11.0864 -4.63087 GPRESSAVG: 4545000 17.2109 14.2278 -14.159 15.1517 -46.9794 -9.91679 -12.9412 -10.5727 -4.47593 TIMING: 4545000 CPU: 14371.2, 0.00315832/step Wall: 14371.2, 0.00315832/step, 0.399176 hours remaining, 238.246094 MB of memory in use. ENERGY: 4545000 4009.3100 20694.0489 14459.8719 245.9500 -203085.7362 2515.3592 0.0000 0.0000 51912.6586 -109248.5376 298.3428 -161161.1962 -108890.7698 299.3459 -240.9785 -216.5679 762227.2254 -11.4797 -11.4148 PRESSURE: 4545200 96.2771 188.484 64.1352 188.484 -122.59 16.326 64.1345 16.3251 -18.4286 GPRESSURE: 4545200 140.994 142.693 30.597 15.4797 -106.458 -17.2169 143.517 -68.8119 -6.44352 PRESSAVG: 4545200 9.11664 8.77695 16.9381 8.77694 -37.0097 24.1299 16.9381 24.1299 25.3549 GPRESSAVG: 4545200 9.45991 8.95364 15.3987 7.20525 -36.7603 22.3616 17.4972 26.4872 24.9733 TIMING: 4545200 CPU: 14371.8, 0.00317244/step Wall: 14371.8, 0.00317244/step, 0.400785 hours remaining, 238.246094 MB of memory in use. ENERGY: 4545200 4104.3760 20690.5514 14474.4739 230.9750 -203174.5365 2713.6431 0.0000 0.0000 51986.3997 -108974.1174 298.7666 -160960.5170 -108622.6734 300.0706 -14.9137 9.3641 762714.6823 -0.8461 -0.7757 PRESSURE: 4545400 119.814 -209.419 -102.383 -209.418 -103.817 47.4769 -102.383 47.4759 209.647 GPRESSURE: 4545400 172.748 -228.07 -127.831 -249.98 -64.153 110.291 -0.066628 74.699 206.513 PRESSAVG: 4545400 52.855 -9.44607 22.0444 -9.44614 -20.3612 24.6373 22.0444 24.6374 -8.33343 GPRESSAVG: 4545400 52.0212 -9.9202 24.0973 -10.1559 -19.2011 25.3182 22.9192 23.1959 -8.41966 TIMING: 4545400 CPU: 14372.5, 0.00315168/step Wall: 14372.5, 0.00315168/step, 0.397988 hours remaining, 238.246094 MB of memory in use. ENERGY: 4545400 3977.8939 20765.7619 14446.1932 224.3657 -203684.9942 3057.6859 0.0000 0.0000 52267.0749 -108946.0186 300.3796 -161213.0935 -108589.0331 299.9719 75.2147 105.0360 763722.3858 8.0535 8.1335 PRESSURE: 4545600 99.9089 94.4613 43.6001 94.4614 162.238 69.0617 43.6001 69.0622 -198.614 GPRESSURE: 4545600 66.8118 42.2607 51.4271 56.8324 218.26 -3.56872 101.917 102.317 -128.92 PRESSAVG: 4545600 14.6816 12.9801 27.1472 12.9801 -25.3728 9.32612 27.1472 9.32608 -6.23555 GPRESSAVG: 4545600 14.653 11.6743 26.589 13.8884 -26.9005 9.36347 25.8081 11.0429 -4.78154 TIMING: 4545600 CPU: 14373.1, 0.00313991/step Wall: 14373.1, 0.00313991/step, 0.396327 hours remaining, 238.246094 MB of memory in use. ENERGY: 4545600 4044.2159 20652.1769 14477.2314 244.2985 -203172.0007 2742.3897 0.0000 0.0000 51949.3185 -109062.3698 298.5534 -161011.6882 -108701.3790 299.4836 21.1776 52.0507 762488.5673 -5.6422 -5.6764 PRESSURE: 4545800 454.235 -121.891 24.7775 -121.891 -161.503 -150.423 24.7783 -150.424 16.6716 GPRESSURE: 4545800 433.661 -65.0148 80.6164 -279.144 -110.493 -81.8441 -3.23975 44.402 61.8734 PRESSAVG: 4545800 6.05931 10.7768 39.3576 10.7768 -10.193 56.971 39.3576 56.9709 19.4383 GPRESSAVG: 4545800 7.09315 12.3011 38.683 10.3184 -9.85835 57.5013 40.8898 55.5891 17.5264 TIMING: 4545800 CPU: 14373.7, 0.00316927/step Wall: 14373.7, 0.00316927/step, 0.399856 hours remaining, 238.246094 MB of memory in use. ENERGY: 4545800 3941.7165 20749.7998 14399.2521 223.5578 -203495.1071 2851.9394 0.0000 0.0000 52215.0321 -109113.8095 300.0805 -161328.8415 -108740.8590 299.8984 103.1345 128.3470 762138.8272 5.1015 4.9204 PRESSURE: 4546000 -128.738 -52.0011 4.39899 -52.0004 60.1609 -8.75152 4.39903 -8.75204 -206.484 GPRESSURE: 4546000 -134.165 44.2022 81.9169 -31.1872 62.8849 -9.30931 -72.6899 63.6265 -131.211 PRESSAVG: 4546000 7.70009 -19.4892 -26.5036 -19.4892 -35.3257 11.868 -26.5036 11.868 -3.80202 GPRESSAVG: 4546000 7.72631 -19.2003 -26.3806 -19.6758 -36.0638 11.907 -27.9799 11.743 -2.90219 TIMING: 4546000 CPU: 14374.4, 0.00315391/step Wall: 14374.4, 0.00315391/step, 0.397744 hours remaining, 238.246094 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: 4546000 4031.5873 20578.2413 14441.8212 247.5988 -203216.6044 2555.2663 0.0000 0.0000 52158.1748 -109203.9146 299.7537 -161362.0894 -108838.8380 299.6254 -91.6870 -67.4970 763675.8638 -10.4759 -10.4132 PRESSURE: 4546200 -42.9979 196.148 144.328 196.149 135.11 55.5988 144.329 55.5995 -162.386 GPRESSURE: 4546200 -5.16871 266.086 82.2549 210.139 130.246 146.549 152.453 143.922 -91.5316 PRESSAVG: 4546200 17.9932 44.9984 17.0456 44.9983 -11.3088 71.38 17.0456 71.38 -6.30491 GPRESSAVG: 4546200 17.6664 43.2498 15.3971 44.6647 -11.7077 70.4362 18.0649 72.5601 -5.99029 TIMING: 4546200 CPU: 14375, 0.00312988/step Wall: 14375, 0.00312988/step, 0.394539 hours remaining, 238.246094 MB of memory in use. ENERGY: 4546200 4041.7956 20496.8317 14451.1199 248.6011 -203462.8026 2865.1913 0.0000 0.0000 52252.9165 -109106.3464 300.2982 -161359.2629 -108745.9397 299.6443 -23.4247 11.1820 761651.2278 0.1265 -0.0105 PRESSURE: 4546400 -105.297 -174.806 2.27702 -174.806 -89.8517 167.33 2.27675 167.33 106.367 GPRESSURE: 4546400 -76.229 -151.79 -55.7149 -133.012 -9.76053 189.261 78.6838 79.6771 72.1521 PRESSAVG: 4546400 -10.5758 3.65713 -2.39123 3.65708 -8.1945 23.951 -2.39124 23.9509 18.6739 GPRESSAVG: 4546400 -9.27805 4.95352 -1.23433 5.78431 -8.12188 25.3921 -2.11224 23.7701 17.664 TIMING: 4546400 CPU: 14375.6, 0.00315146/step Wall: 14375.6, 0.00315146/step, 0.397084 hours remaining, 238.246094 MB of memory in use. ENERGY: 4546400 4031.7837 20489.8153 14525.4167 243.7568 -203176.1420 2551.4985 0.0000 0.0000 52209.4904 -109124.3805 300.0487 -161333.8709 -108758.6088 299.7049 -29.5940 -4.6125 762296.5146 -0.0321 0.0880 PRESSURE: 4546600 74.4196 20.1407 147.132 20.1403 -121.863 -65.0182 147.132 -65.0181 -10.8312 GPRESSURE: 4546600 131.026 3.6106 130.086 60.2206 -115.218 -142.793 52.567 -125.666 9.79915 PRESSAVG: 4546600 -36.8557 -32.3233 -45.8518 -32.3233 25.3719 38.6583 -45.8518 38.6582 -12.2487 GPRESSAVG: 4546600 -36.575 -31.7406 -44.684 -31.9629 24.1047 38.0139 -49.1335 36.2931 -11.4993 TIMING: 4546600 CPU: 14376.2, 0.00314033/step Wall: 14376.2, 0.00314033/step, 0.395507 hours remaining, 238.246094 MB of memory in use. ENERGY: 4546600 3991.8974 20631.1401 14523.1275 249.9915 -203175.8531 2388.6488 0.0000 0.0000 52145.2785 -109245.7692 299.6796 -161391.0476 -108876.1478 299.4178 -19.4248 8.5357 762902.0762 -7.9108 -7.9899 PRESSURE: 4546800 -151.514 -183.361 33.3524 -183.362 331.184 334.349 33.3526 334.349 -107.574 GPRESSURE: 4546800 56.272 -258.275 103.74 -32.5179 267.578 317.393 77.4263 323.344 -154.478 PRESSAVG: 4546800 -39.5147 -29.3274 -18.461 -29.3274 87.2484 -22.4155 -18.461 -22.4157 -11.5863 GPRESSAVG: 4546800 -38.5826 -31.8537 -17.4611 -28.0425 88.1996 -23.4181 -15.7376 -19.8419 -12.6832 TIMING: 4546800 CPU: 14376.9, 0.00314337/step Wall: 14376.9, 0.00314337/step, 0.395715 hours remaining, 238.246094 MB of memory in use. ENERGY: 4546800 4004.8676 20466.1101 14494.6171 241.0212 -203373.1763 2695.7104 0.0000 0.0000 52088.8170 -109382.0328 299.3551 -161470.8498 -109027.1270 299.5939 24.0319 56.4575 762135.9680 12.0491 12.3113 PRESSURE: 4547000 -1.99099 -244.002 -409.874 -244.002 -70.9431 -117.932 -409.874 -117.932 75.7681 GPRESSURE: 4547000 3.83062 -240.367 -432.937 -120.917 27.0505 -190.104 -332.944 -90.5878 50.4387 PRESSAVG: 4547000 -28.1757 -21.0924 13.1573 -21.0925 22.0372 12.4152 13.1573 12.4152 -1.84428 GPRESSAVG: 4547000 -28.831 -19.0119 11.3043 -23.5491 22.0319 12.3298 14.4888 10.8577 -1.20822 TIMING: 4547000 CPU: 14377.5, 0.00318589/step Wall: 14377.5, 0.00318589/step, 0.400892 hours remaining, 238.246094 MB of memory in use. ENERGY: 4547000 4070.2430 20601.9851 14461.6658 250.3112 -203475.7257 2849.5811 0.0000 0.0000 51956.0313 -109285.9082 298.5920 -161241.9395 -108932.9932 299.1298 0.9447 27.1066 763030.3155 -2.6609 -2.6691 PRESSURE: 4547200 180.595 48.8553 -9.75611 48.8552 239.724 -347.267 -9.75589 -347.267 363.448 GPRESSURE: 4547200 203.189 0.864359 -10.6498 -22.6703 266.735 -260.544 185.764 -204.542 385.317 PRESSAVG: 4547200 49.6226 -6.27985 -1.5045 -6.27982 -38.1832 -4.91672 -1.50454 -4.91665 -2.01189 GPRESSAVG: 4547200 47.3427 -6.63205 -1.98846 -5.78138 -35.7946 -4.42188 -0.601151 -4.59445 -2.62612 TIMING: 4547200 CPU: 14378.1, 0.0031606/step Wall: 14378.1, 0.0031606/step, 0.397533 hours remaining, 238.246094 MB of memory in use. ENERGY: 4547200 3938.7628 20514.4028 14405.5782 251.9964 -203101.8972 2562.1714 0.0000 0.0000 51974.3827 -109454.6028 298.6975 -161428.9856 -109094.6646 298.6614 261.2559 285.0805 762452.3078 3.1425 2.9740 PRESSURE: 4547400 -100.77 -130.196 72.1998 -130.195 -66.9372 302.564 72.2005 302.563 172.568 GPRESSURE: 4547400 -9.3511 -78.8121 38.0853 -150.378 -92.6031 225.458 4.13196 248.529 168.455 PRESSAVG: 4547400 21.753 -23.811 65.3181 -23.811 -11.6362 -30.2534 65.3182 -30.2534 3.44093 GPRESSAVG: 4547400 23.3803 -24.803 66.0841 -23.8029 -13.5614 -30.7209 63.2257 -27.5029 3.39189 TIMING: 4547400 CPU: 14378.8, 0.00316682/step Wall: 14378.8, 0.00316682/step, 0.398139 hours remaining, 238.246094 MB of memory in use. ENERGY: 4547400 3901.2063 20459.5109 14476.9877 253.9838 -203174.6109 2583.5620 0.0000 0.0000 52132.2190 -109367.1412 299.6046 -161499.3602 -109009.0376 298.5146 1.6203 22.1670 762689.1741 4.5192 4.4036 PRESSURE: 4547600 5.71799 55.7153 34.3483 55.7154 -5.61518 111.557 34.3487 111.558 -55.6832 GPRESSURE: 4547600 -0.0165972 24.3495 99.1079 154.072 42.6039 104.099 39.8896 51.9585 -7.32134 PRESSAVG: 4547600 30.5698 16.5288 41.8845 16.5288 -40.3686 7.93941 41.8844 7.93943 -10.8385 GPRESSAVG: 4547600 30.149 18.4666 41.3386 14.1759 -38.945 8.63424 43.0716 6.76359 -11.2003 TIMING: 4547600 CPU: 14379.4, 0.00315388/step Wall: 14379.4, 0.00315388/step, 0.396337 hours remaining, 238.246094 MB of memory in use. ENERGY: 4547600 4068.5331 20493.6165 14441.7195 239.8211 -203353.9961 2788.6338 0.0000 0.0000 51964.9116 -109356.7605 298.6431 -161321.6721 -109011.4505 298.9224 -18.5268 11.7553 762645.2584 -6.8791 -6.6655 PRESSURE: 4547800 156.499 -10.5336 -112.998 -10.5338 60.0847 -38.1121 -112.997 -38.1114 146.538 GPRESSURE: 4547800 159.198 31.4548 -62.7771 -102.728 134.485 -25.1659 -41.6324 -138.221 164.964 PRESSAVG: 4547800 7.91995 3.86303 -13.1344 3.86298 15.0469 0.567965 -13.1345 0.568022 -10.9901 GPRESSAVG: 4547800 8.02099 3.19712 -13.4361 5.74837 14.8294 -0.252087 -13.2577 0.552528 -10.4152 TIMING: 4547800 CPU: 14380, 0.00316589/step Wall: 14380, 0.00316589/step, 0.397671 hours remaining, 238.246094 MB of memory in use. ENERGY: 4547800 4014.5348 20522.0830 14466.3576 262.3909 -203160.7063 2552.2818 0.0000 0.0000 51941.0849 -109401.9732 298.5061 -161343.0581 -109038.9755 299.2154 121.0407 152.8828 762295.0870 3.9922 4.1451 PRESSURE: 4548000 228.987 58.8395 -17.5543 58.8397 -30.2239 2.25285 -17.5546 2.25211 -245.593 GPRESSURE: 4548000 286.286 15.2527 -56.378 58.0955 22.1757 23.0016 78.7715 85.7959 -256.548 PRESSAVG: 4548000 7.18809 20.851 45.9461 20.851 22.5601 -21.0831 45.9462 -21.083 3.87727 GPRESSAVG: 4548000 7.93596 19.6193 46.7845 20.5634 21.4868 -21.0337 47.0588 -20.803 4.63076 TIMING: 4548000 CPU: 14380.7, 0.00319928/step Wall: 14380.7, 0.00319928/step, 0.401687 hours remaining, 238.246094 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: 4548000 3986.0262 20381.8707 14540.4641 239.3936 -202968.5422 2600.7012 0.0000 0.0000 52115.9887 -109104.0977 299.5113 -161220.0864 -108734.0422 299.5540 -15.6101 17.3046 762765.0655 11.2085 11.3512 PRESSURE: 4548200 13.2299 -115.881 186.807 -115.881 -192.772 -64.6137 186.807 -64.6135 -145.229 GPRESSURE: 4548200 24.4402 -235.5 152.403 -178.628 -52.9413 -147.839 123 -49.2323 -203.557 PRESSAVG: 4548200 -0.218803 -23.0733 21.2392 -23.0734 -48.5807 -1.32515 21.2391 -1.32515 -5.96192 GPRESSAVG: 4548200 -0.739262 -21.6885 20.4086 -25.61 -47.8427 -0.656301 20.346 -3.93936 -6.02083 TIMING: 4548200 CPU: 14381.3, 0.00315917/step Wall: 14381.3, 0.00315917/step, 0.396476 hours remaining, 238.246094 MB of memory in use. ENERGY: 4548200 3977.7931 20516.1258 14475.4105 241.3613 -203071.2493 2538.6889 0.0000 0.0000 52306.9317 -109014.9380 300.6087 -161321.8696 -108652.0599 299.7034 -108.2570 -77.3526 761241.2679 -18.2538 -18.2009 LDB: ============= START OF LOAD BALANCING ============== 14393.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14393.8 LDB: =============== DONE WITH MIGRATION ================ 14393.8 LDB: ============= START OF LOAD BALANCING ============== 14394.2 LDB: Largest compute 7068 load 0.032777 is 16.8% of average load 0.195644 LDB: Average compute 0.004366 is 2.2% of average load 0.195644 LDB: TIME 14394.2 LOAD: AVG 0.195644 MAX 0.215588 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.629 MB LDB: TIME 14394.2 LOAD: AVG 0.195644 MAX 0.215588 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: TIME 14394.2 LOAD: AVG 0.195644 MAX 0.215588 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.629 MB LDB: ============== END OF LOAD BALANCING =============== 14394.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14394.2 PRESSURE: 4548400 -26.7864 125.531 202.592 125.531 -190.604 -6.99072 202.592 -6.99053 135.339 GPRESSURE: 4548400 -38.4292 45.5019 184.128 148.666 -48.2157 -43.5424 187.395 92.8704 101.247 PRESSAVG: 4548400 32.5199 -25.2179 50.1052 -25.218 24.9672 0.39106 50.1052 0.39099 -7.67583 GPRESSAVG: 4548400 33.6525 -27.3013 49.914 -22.1786 24.821 0.060947 49.9277 1.56615 -8.86278 TIMING: 4548400 CPU: 14382, 0.00323127/step Wall: 14382, 0.00323127/step, 0.405345 hours remaining, 235.589844 MB of memory in use. ENERGY: 4548400 4024.4900 20537.3238 14506.5003 236.0704 -203027.9621 2415.8391 0.0000 0.0000 52203.0862 -109104.6522 300.0119 -161307.7384 -108738.5242 299.9094 -27.3507 4.8673 761300.6289 16.6038 16.5369 PRESSURE: 4548600 -235.818 -78.6132 148.014 -78.6137 167.11 -272.923 148.015 -272.923 -465.608 GPRESSURE: 4548600 -145.079 15.6018 185.322 -76.3674 131.852 -260.904 71.7264 -177.514 -447.097 PRESSAVG: 4548600 10.4776 23.7664 67.496 23.7664 -12.5688 10.7594 67.4961 10.7593 -1.17632 GPRESSAVG: 4548600 10.8605 24.515 68.3693 23.7605 -12.0859 10.7146 65.3233 13.9747 -1.77283 TIMING: 4548600 CPU: 14382.6, 0.00317899/step Wall: 14382.6, 0.00317899/step, 0.39861 hours remaining, 235.832031 MB of memory in use. ENERGY: 4548600 4020.7240 20573.0078 14469.8575 238.9351 -203107.4244 2314.8653 0.0000 0.0000 52368.4123 -109121.6224 300.9620 -161490.0347 -108762.3606 299.9854 -178.1053 -153.4418 762280.1439 -1.0892 -0.9994 PRESSURE: 4548800 -162.565 20.634 224.327 20.6344 -462.545 249.875 224.327 249.875 -415.531 GPRESSURE: 4548800 -182.553 -10.5722 262.16 63.9549 -331.185 209.748 209.914 84.5778 -422.818 PRESSAVG: 4548800 44.1912 10.9086 40.5689 10.9086 -86.7119 38.0727 40.5689 38.0726 -6.83145 GPRESSAVG: 4548800 43.8432 13.4552 39.7008 10.5481 -87.0459 37.7913 42.6905 36.4796 -6.21141 TIMING: 4548800 CPU: 14383.2, 0.00316107/step Wall: 14383.2, 0.00316108/step, 0.396188 hours remaining, 236.035156 MB of memory in use. ENERGY: 4548800 4027.9080 20442.6374 14537.1025 251.7501 -202827.4147 2248.2807 0.0000 0.0000 52036.8300 -109282.9060 299.0564 -161319.7360 -108915.8202 300.0255 -346.8804 -312.1855 762815.1663 -16.4507 -16.4714 PRESSURE: 4549000 86.1406 -125.88 -43.017 -125.879 -137.806 70.836 -43.0161 70.8364 445.738 GPRESSURE: 4549000 76.0203 -19.2423 4.34361 -110.471 -32.2511 128.945 166.646 176.043 458.637 PRESSAVG: 4549000 11.5491 -62.7476 65.7519 -62.7477 12.4435 27.6415 65.7519 27.6416 -0.390038 GPRESSAVG: 4549000 11.7185 -63.1776 65.8743 -64.0699 12.5008 28.3278 65.529 25.5305 -0.454287 TIMING: 4549000 CPU: 14383.9, 0.00318419/step Wall: 14383.9, 0.00318419/step, 0.398908 hours remaining, 236.035156 MB of memory in use. ENERGY: 4549000 3957.2137 20385.6266 14514.7027 271.1175 -203173.7518 2766.4354 0.0000 0.0000 52036.5424 -109242.1135 299.0547 -161278.6559 -108880.4802 299.2935 131.3575 167.4689 763988.5353 7.8675 7.9217 PRESSURE: 4549200 -247.044 269.398 26.7471 269.398 25.2955 -68.082 26.7472 -68.0817 -365.363 GPRESSURE: 4549200 -174.977 207.623 70.3554 196.698 -43.6142 -12.3529 -78.9047 -144.565 -298.273 PRESSAVG: 4549200 -42.1289 2.7177 40.8538 2.71773 26.8201 -1.57678 40.8537 -1.57683 -16.3106 GPRESSAVG: 4549200 -43.1443 2.22087 40.4076 3.76354 26.4829 -2.54448 41.8724 0.460027 -15.2643 TIMING: 4549200 CPU: 14384.5, 0.00317406/step Wall: 14384.5, 0.00317406/step, 0.397463 hours remaining, 236.035156 MB of memory in use. ENERGY: 4549200 3918.3000 20509.9832 14467.8650 231.0663 -203224.3290 2494.1534 0.0000 0.0000 52187.3936 -109415.5674 299.9217 -161602.9609 -109043.0603 299.7788 -195.7039 -172.2880 763223.1072 -10.5398 -10.6419 PRESSURE: 4549400 -174.565 88.4131 -184.747 88.4131 -384.598 -14.3848 -184.747 -14.3848 260.084 GPRESSURE: 4549400 -109.676 2.39538 -197.479 67.5045 -336.758 -8.56072 -90.5835 -128.825 239.133 PRESSAVG: 4549400 -28.636 48.2425 -16.2441 48.2425 24.7136 23.7512 -16.2441 23.7513 36.9717 GPRESSAVG: 4549400 -28.4298 49.6561 -15.924 47.3572 24.8882 23.7636 -16.1111 22.1136 36.4808 TIMING: 4549400 CPU: 14385.1, 0.00314753/step Wall: 14385.1, 0.00314753/step, 0.393966 hours remaining, 236.035156 MB of memory in use. ENERGY: 4549400 3958.5771 20534.8650 14515.2724 237.9860 -203024.2156 2654.8011 0.0000 0.0000 51778.9439 -109343.7701 297.5743 -161122.7140 -108981.4051 299.2889 -99.6929 -69.1003 762800.7304 11.0164 10.9797 PRESSURE: 4549600 -17.6233 111.604 57.6983 111.604 -234.219 242.675 57.6983 242.674 -118.104 GPRESSURE: 4549600 -69.8563 33.6387 16.0373 58.9825 -175.236 278.248 26.3977 14.5779 -60.884 PRESSAVG: 4549600 27.8009 -32.2805 19.9541 -32.2805 -20.9038 10.2799 19.9542 10.2799 -0.180939 GPRESSAVG: 4549600 28.3676 -35.2482 20.3196 -29.7654 -21.5419 10.7819 17.3366 9.66349 -0.321414 TIMING: 4549600 CPU: 14385.8, 0.00314512/step Wall: 14385.8, 0.00314513/step, 0.39349 hours remaining, 236.035156 MB of memory in use. ENERGY: 4549600 3988.9358 20571.1795 14495.9398 252.9139 -203333.8752 2626.0827 0.0000 0.0000 52037.7383 -109361.0851 299.0616 -161398.8234 -109005.0383 299.3016 -123.3154 -101.9923 762004.1099 2.2387 2.1681 PRESSURE: 4549800 -393.505 -22.3457 -149.2 -22.3456 -0.609801 44.8586 -149.2 44.8582 -41.9966 GPRESSURE: 4549800 -349.321 -39.0717 11.4704 -86.2438 93.5482 75.9472 -159.068 52.1033 -73.7587 PRESSAVG: 4549800 -32.8262 -57.1926 28.1123 -57.1925 34.7684 33.328 28.1123 33.328 -2.2857 GPRESSAVG: 4549800 -34.5935 -56.5373 28.5771 -59.2701 34.8213 31.4278 30.0639 34.7018 -0.97279 TIMING: 4549800 CPU: 14386.4, 0.00313367/step Wall: 14386.4, 0.00313367/step, 0.391882 hours remaining, 236.035156 MB of memory in use. ENERGY: 4549800 3966.4727 20518.4112 14469.5325 237.6901 -202700.9425 2226.9218 0.0000 0.0000 52006.7548 -109275.1595 298.8835 -161281.9143 -108913.6271 299.1634 -145.3704 -109.8439 763159.2738 -0.1145 -0.2483 PRESSURE: 4550000 -42.3969 14.5456 -17.241 14.5464 -147.677 -20.566 -17.2415 -20.5646 50.9446 GPRESSURE: 4550000 4.49413 -27.4958 -74.8828 34.5846 -138.286 -225.927 -79.4475 132.75 85.2799 PRESSAVG: 4550000 -74.5308 -15.0832 39.8013 -15.0832 73.7291 -10.2973 39.8013 -10.2973 12.0219 GPRESSAVG: 4550000 -73.5917 -14.2434 39.8962 -16.3487 73.9142 -9.4021 39.5942 -8.04094 10.8015 TIMING: 4550000 CPU: 14387, 0.00315271/step Wall: 14387, 0.00315271/step, 0.394088 hours remaining, 236.035156 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: 4550000 3974.0723 20462.8394 14450.6435 226.9273 -203107.7357 2520.2464 0.0000 0.0000 52204.5828 -109268.4239 300.0205 -161473.0067 -108895.1274 299.0907 -46.3763 -16.1707 763211.6312 3.7401 3.7080 PRESSURE: 4550200 -133.784 57.0834 -207.858 57.0838 172.733 229.472 -207.858 229.472 136.834 GPRESSURE: 4550200 -15.5488 6.9564 -148.982 -44.411 188.283 238.985 -167.473 162.547 92.9458 PRESSAVG: 4550200 -47.238 -18.0134 29.4443 -18.0134 19.6455 28.5454 29.4443 28.5453 -1.98299 GPRESSAVG: 4550200 -46.4824 -17.5969 29.7539 -17.3 18.7563 28.6993 29.4177 26.2584 -2.1338 TIMING: 4550200 CPU: 14387.6, 0.00316481/step Wall: 14387.6, 0.00316481/step, 0.395425 hours remaining, 236.035156 MB of memory in use. ENERGY: 4550200 4057.4676 20588.6050 14497.6401 253.3612 -203062.6592 2488.9644 0.0000 0.0000 51997.3402 -109179.2807 298.8294 -161176.6209 -108817.1670 299.2814 58.5945 88.5600 762969.3012 -9.8585 -9.9533 PRESSURE: 4550400 -145.401 90.6904 -11.74 90.69 681.664 51.9018 -11.7397 51.9013 -175.357 GPRESSURE: 4550400 -32.8274 -39.1671 -17.8034 99.6998 657.461 16.2567 -43.7912 22.0501 -175.205 PRESSAVG: 4550400 1.69127 -3.06118 32.2161 -3.06126 35.8437 20.6555 32.2161 20.6556 11.4491 GPRESSAVG: 4550400 1.36447 -5.84574 33.2201 -2.31803 35.5858 19.4247 33.6438 23.3153 11.6969 TIMING: 4550400 CPU: 14388.3, 0.00316331/step Wall: 14388.3, 0.00316331/step, 0.395062 hours remaining, 236.035156 MB of memory in use. ENERGY: 4550400 3975.6301 20505.4195 14452.2066 247.4624 -203513.5518 2887.1537 0.0000 0.0000 52338.3465 -109107.3330 300.7892 -161445.6795 -108749.4643 299.6455 120.3018 149.8095 762005.6736 16.3280 16.2157 PRESSURE: 4550600 48.7975 -109.072 1.86283 -109.07 -196.416 169.319 1.86306 169.319 732.103 GPRESSURE: 4550600 86.1948 -94.3772 33.5613 -167.561 -200.881 199.353 -80.115 81.2066 789.085 PRESSAVG: 4550600 -20.932 -60.508 -2.35228 -60.508 -5.56052 35.3402 -2.35228 35.3402 -18.9191 GPRESSAVG: 4550600 -21.0926 -59.4822 -3.46615 -61.3565 -4.59667 37.2354 -3.86264 33.5191 -18.8625 TIMING: 4550600 CPU: 14388.9, 0.00314136/step Wall: 14388.9, 0.00314136/step, 0.392146 hours remaining, 236.035156 MB of memory in use. ENERGY: 4550600 3969.5298 20478.4488 14521.3897 251.4056 -202580.0891 2352.5466 0.0000 0.0000 51960.3517 -109046.4169 298.6169 -161006.7686 -108686.8928 300.0744 194.8282 224.7996 762406.4726 -15.1372 -14.8506 PRESSURE: 4550800 -204.268 -154.109 131.069 -154.11 149.919 -77.8352 131.068 -77.8347 -8.44906 GPRESSURE: 4550800 -251.697 -104.296 106.997 -83.8622 244.212 -122.484 49.5834 -171.207 22.9661 PRESSAVG: 4550800 -15.5914 -59.8185 -25.3302 -59.8185 24.3247 -16.5571 -25.3302 -16.5571 24.4522 GPRESSAVG: 4550800 -16.4365 -61.2955 -25.3238 -57.1381 24.2066 -16.3146 -25.1176 -18.3706 25.4364 TIMING: 4550800 CPU: 14389.5, 0.0031342/step Wall: 14389.5, 0.0031342/step, 0.391079 hours remaining, 236.035156 MB of memory in use. ENERGY: 4550800 3952.0359 20530.7210 14549.6335 236.0877 -203170.3634 2628.6388 0.0000 0.0000 52197.6919 -109075.5544 299.9809 -161273.2464 -108716.3686 299.6754 -20.9325 5.1603 762332.5673 11.0619 11.0688 PRESSURE: 4551000 -143.325 -8.55478 161.899 -8.55348 -105.737 137.954 161.898 137.954 398.894 GPRESSURE: 4551000 -17.8939 19.3443 212.661 -41.3721 -124.808 192.704 153.646 39.1548 375.963 PRESSAVG: 4551000 -47.9476 -32.9288 63.9872 -32.9288 66.0446 -17.9386 63.9872 -17.9385 -37.7023 GPRESSAVG: 4551000 -46.7009 -31.3208 65.9411 -35.1455 65.3227 -18.9846 62.5493 -14.9259 -38.5967 TIMING: 4551000 CPU: 14390.2, 0.00316289/step Wall: 14390.2, 0.00316289/step, 0.394483 hours remaining, 236.035156 MB of memory in use. ENERGY: 4551000 4010.6765 20567.0755 14465.5500 272.7970 -203252.0156 2838.1947 0.0000 0.0000 52143.9571 -108953.7648 299.6720 -161097.7219 -108596.6751 299.7938 49.9439 77.7537 764430.2679 -6.5351 -6.6583 PRESSURE: 4551200 -91.8782 -101.631 9.00544 -101.63 -75.3144 36.3913 9.00612 36.391 18.1331 GPRESSURE: 4551200 -79.0835 -221.458 32.8864 -96.6827 -31.8622 62.7321 156.643 70.3538 33.4298 PRESSAVG: 4551200 -64.9625 -24.6911 21.9103 -24.691 4.79775 45.8114 21.9103 45.8113 19.1126 GPRESSAVG: 4551200 -65.4673 -25.3942 19.9007 -22.8156 5.33821 47.8637 24.4744 46.8329 18.9998 TIMING: 4551200 CPU: 14390.8, 0.00315111/step Wall: 14390.8, 0.00315111/step, 0.392838 hours remaining, 236.035156 MB of memory in use. ENERGY: 4551200 3924.8794 20497.7727 14427.4503 222.5128 -202941.4276 2559.2248 0.0000 0.0000 52214.1356 -109095.4520 300.0754 -161309.5877 -108734.5318 299.5103 -49.6865 -25.8386 763380.1341 -13.6840 -13.7098 PRESSURE: 4551400 -104.129 -13.589 191.5 -13.5894 -123.652 21.4957 191.499 21.4961 -34.038 GPRESSURE: 4551400 -30.3937 -75.492 227.29 -1.59485 -155.499 33.7498 79.9339 -30.2391 26.1452 PRESSAVG: 4551400 -27.6797 -44.5259 36.6198 -44.5259 -16.9428 -14.4714 36.6198 -14.4714 0.365086 GPRESSAVG: 4551400 -28.2679 -44.1305 37.7336 -46.0248 -16.8082 -15.0438 35.8183 -16.3458 0.257733 TIMING: 4551400 CPU: 14391.4, 0.00315064/step Wall: 14391.4, 0.00315064/step, 0.392605 hours remaining, 236.035156 MB of memory in use. ENERGY: 4551400 4037.7623 20301.1746 14457.9953 254.0581 -203187.6307 2754.1540 0.0000 0.0000 52087.4725 -109295.0140 299.3474 -161382.4865 -108934.5836 299.0318 -87.2732 -53.2493 764074.7472 -14.7525 -14.9395 PRESSURE: 4551600 -103.297 80.3422 -66.3774 80.3422 -62.8489 217.134 -66.3778 217.134 281.53 GPRESSURE: 4551600 -152.156 151 -36.3462 33.8693 10.2231 300.495 75.7517 81.5432 354.276 PRESSAVG: 4551600 -92.07 25.669 18.018 25.669 85.6885 21.2757 18.018 21.2757 5.57364 GPRESSAVG: 4551600 -92.1845 25.2448 18.4797 26.907 84.4089 21.5312 17.9826 20.9506 7.356 TIMING: 4551600 CPU: 14392.1, 0.00314378/step Wall: 14392.1, 0.00314378/step, 0.391575 hours remaining, 236.035156 MB of memory in use. ENERGY: 4551600 4014.3853 20499.0890 14572.4740 286.0773 -203510.5066 2896.7940 0.0000 0.0000 51960.4132 -109281.2738 298.6172 -161241.6870 -108914.5171 298.9453 38.4615 70.7812 763876.3658 -0.2693 -0.1399 PRESSURE: 4551800 186.126 157.251 -100.726 157.251 -142.262 -182.079 -100.726 -182.078 -327.02 GPRESSURE: 4551800 46.6363 91.6136 -90.0699 146.817 -58.5494 -156.086 -166.287 -16.692 -195.397 PRESSAVG: 4551800 -90.4647 14.8088 14.2283 14.8088 75.6095 -12.9585 14.2283 -12.9585 -14.3378 GPRESSAVG: 4551800 -89.7987 14.3555 15.1163 13.4848 75.9241 -13.0028 13.5886 -13.7389 -15.414 TIMING: 4551800 CPU: 14392.7, 0.00313219/step Wall: 14392.7, 0.00313219/step, 0.389958 hours remaining, 236.035156 MB of memory in use. ENERGY: 4551800 3978.6838 20466.7959 14467.1783 254.1565 -203196.1060 2766.6977 0.0000 0.0000 52195.2907 -109067.3031 299.9671 -161262.5938 -108704.8730 299.3659 -94.3853 -69.1035 763102.7286 -9.7310 -9.7629 PRESSURE: 4552000 -95.6222 -43.5234 -133.569 -43.523 196.156 -116.467 -133.567 -116.467 230.334 GPRESSURE: 4552000 -60.0245 -26.6149 -197.538 1.0837 179.677 -173.759 -114.556 -151.321 277.003 PRESSAVG: 4552000 -52.0933 -43.9051 4.97081 -43.9051 56.1656 -45.6421 4.97083 -45.6421 -0.461968 GPRESSAVG: 4552000 -52.1831 -44.0198 4.01454 -42.2318 56.4927 -45.4429 6.23086 -43.311 -0.625749 TIMING: 4552000 CPU: 14393.3, 0.00314732/step Wall: 14393.3, 0.00314732/step, 0.391666 hours remaining, 236.035156 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: 4552000 4008.9756 20637.9981 14515.9155 249.5428 -203049.7705 2757.0466 0.0000 0.0000 52001.4762 -108878.8158 298.8532 -160880.2919 -108519.3917 299.7752 110.2892 132.2183 763802.6657 1.2034 1.2280 PRESSURE: 4552200 -239.595 -189.05 180.995 -189.049 -41.6962 24.445 180.995 24.4448 -458.028 GPRESSURE: 4552200 -139.415 -193.105 190.76 -190.289 -86.6411 -3.42255 101.84 -4.00564 -435.307 PRESSAVG: 4552200 22.7235 22.7911 11.5439 22.7911 15.201 -40.2223 11.544 -40.2223 9.09518 GPRESSAVG: 4552200 21.5209 25.0289 11.4754 21.2934 16.9634 -41.5135 10.1283 -43.1278 8.12013 TIMING: 4552200 CPU: 14393.9, 0.0031668/step Wall: 14393.9, 0.0031668/step, 0.393915 hours remaining, 236.035156 MB of memory in use. ENERGY: 4552200 4032.0306 20593.5007 14499.3965 247.7490 -202996.0270 2444.4581 0.0000 0.0000 52228.8287 -108950.0634 300.1598 -161178.8921 -108587.7479 300.2962 -246.4398 -220.4544 763194.1969 15.6732 15.5348 LDB: ============= START OF LOAD BALANCING ============== 14406.5 LDB: ============== END OF LOAD BALANCING =============== 14406.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14406.5 LDB: ============= START OF LOAD BALANCING ============== 14406.8 LDB: Largest compute 7078 load 0.033239 is 17.0% of average load 0.195671 LDB: Average compute 0.004361 is 2.2% of average load 0.195671 LDB: TIME 14406.8 LOAD: AVG 0.195671 MAX 0.216951 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.203 MB LDB: TIME 14406.8 LOAD: AVG 0.195671 MAX 0.216951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: TIME 14406.8 LOAD: AVG 0.195671 MAX 0.216951 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.41 MB LDB: ============== END OF LOAD BALANCING =============== 14406.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14406.8 PRESSURE: 4552400 -53.2137 -145.367 -124.794 -145.367 -210.661 -48.3787 -124.795 -48.3794 221.664 GPRESSURE: 4552400 -14.8033 -186.333 -166.557 -102.817 -184.533 -67.3118 -135.212 66.9198 244.242 PRESSAVG: 4552400 -36.3701 -52.5007 -10.0876 -52.5008 20.4975 -37.7358 -10.0876 -37.7357 -3.11735 GPRESSAVG: 4552400 -35.4415 -54.2526 -11.5183 -51.903 19.5339 -36.9518 -7.0544 -36.4781 -3.43317 TIMING: 4552400 CPU: 14394.6, 0.00321621/step Wall: 14394.6, 0.00321621/step, 0.399883 hours remaining, 235.652344 MB of memory in use. ENERGY: 4552400 3993.8135 20589.1800 14558.7446 247.5809 -203335.3116 2827.8821 0.0000 0.0000 52254.7218 -108863.3887 300.3086 -161118.1105 -108498.5082 300.2915 -14.0704 14.9685 763431.9137 -6.3300 -6.4469 PRESSURE: 4552600 -500.918 -164.829 -59.7382 -164.829 -376.964 218.355 -59.7387 218.354 -678.34 GPRESSURE: 4552600 -469.856 -59.8329 -37.0108 -167.263 -353.21 243.91 -102.663 120.622 -652.794 PRESSAVG: 4552600 -36.8943 60.3637 -39.6879 60.3637 40.4173 -17.7816 -39.6879 -17.7815 26.6144 GPRESSAVG: 4552600 -37.0559 61.3472 -39.6082 59.3652 40.8067 -17.3976 -41.1569 -16.5801 26.8671 TIMING: 4552600 CPU: 14395.2, 0.00317358/step Wall: 14395.2, 0.00317358/step, 0.394406 hours remaining, 235.894531 MB of memory in use. ENERGY: 4552600 4067.7351 20637.1487 14532.4563 240.8284 -202977.1446 2247.9411 0.0000 0.0000 52241.9962 -109009.0389 300.2355 -161251.0350 -108646.0120 300.4773 -518.7408 -491.9532 763616.5626 10.0458 10.2060 PRESSURE: 4552800 -41.9995 173.224 -63.2818 173.224 78.2149 -41.6833 -63.2818 -41.6824 -206.609 GPRESSURE: 4552800 -21.2243 83.9835 -99.4237 55.2147 73.7714 -43.6778 -32.279 -68.2452 -150.095 PRESSAVG: 4552800 27.4016 28.0463 28.1619 28.0463 -51.159 -47.3736 28.1618 -47.3737 -23.1527 GPRESSAVG: 4552800 27.4418 28.0959 27.1121 27.9063 -50.7254 -47.4282 27.8014 -49.0892 -23.5292 TIMING: 4552800 CPU: 14395.9, 0.0031715/step Wall: 14395.9, 0.0031715/step, 0.393971 hours remaining, 235.894531 MB of memory in use. ENERGY: 4552800 4003.2280 20672.6874 14549.2834 235.9420 -203609.4141 2630.5324 0.0000 0.0000 52259.2673 -109258.4735 300.3347 -161517.7408 -108903.5320 299.8145 -56.7978 -32.5160 762475.1943 -15.6367 -15.6043 PRESSURE: 4553000 120.43 65.9907 -163.459 65.9899 -126.216 15.4506 -163.46 15.45 -0.653054 GPRESSURE: 4553000 109.973 1.86984 -147.464 60.4665 -43.8367 3.32337 -176.454 98.3028 14.6299 PRESSAVG: 4553000 11.965 21.7921 -16.7824 21.7921 7.20237 -19.2773 -16.7824 -19.2772 0.58052 GPRESSAVG: 4553000 12.1753 21.6812 -15.9169 22.4977 6.92236 -19.1098 -13.6871 -18.8647 0.592214 TIMING: 4553000 CPU: 14396.5, 0.00319575/step Wall: 14396.5, 0.00319575/step, 0.396805 hours remaining, 235.894531 MB of memory in use. ENERGY: 4553000 3943.4775 20744.4378 14464.0316 236.3190 -203436.0092 2784.7487 0.0000 0.0000 51923.2120 -109339.7825 298.4034 -161262.9945 -108980.4853 299.4514 -2.1463 26.9222 763419.0128 6.5826 6.5633 PRESSURE: 4553200 -467.038 139.7 35.1173 139.7 -54.408 -131.906 35.1183 -131.906 -83.8457 GPRESSURE: 4553200 -390.953 283.597 7.17697 153.787 -124.992 -181.438 -4.18627 -145.409 2.21599 PRESSAVG: 4553200 14.5016 -47.672 -18.2155 -47.6721 6.38306 1.8324 -18.2154 1.83247 19.4159 GPRESSAVG: 4553200 14.7325 -46.2643 -17.5357 -48.4445 6.0434 1.54138 -22.1348 1.53087 19.84 TIMING: 4553200 CPU: 14397.1, 0.00319314/step Wall: 14397.1, 0.00319314/step, 0.396304 hours remaining, 235.894531 MB of memory in use. ENERGY: 4553200 4036.4094 20664.2426 14482.5325 225.4975 -203247.0643 2487.9346 0.0000 0.0000 52285.6669 -109064.7808 300.4864 -161350.4477 -108692.7235 299.5405 -201.7639 -171.2427 762274.2567 13.4335 13.5386 PRESSURE: 4553400 -52.8691 -131.886 153.966 -131.886 281.319 179.497 153.966 179.496 -9.33431 GPRESSURE: 4553400 44.9074 -52.6644 218.242 -156.677 362.023 173.75 8.98056 34.4903 -109.132 PRESSAVG: 4553400 -7.1236 -2.57567 -13.6221 -2.57563 -36.6137 14.2434 -13.6222 14.2434 -12.4046 GPRESSAVG: 4553400 -7.13091 -3.46446 -13.0352 -0.312231 -37.6105 14.7216 -13.3182 11.8695 -12.3079 TIMING: 4553400 CPU: 14397.8, 0.00317939/step Wall: 14397.8, 0.00317939/step, 0.394421 hours remaining, 235.894531 MB of memory in use. ENERGY: 4553400 4026.5530 20557.0419 14555.3601 240.7647 -203449.7360 2667.9903 0.0000 0.0000 52368.3838 -109033.6422 300.9618 -161402.0260 -108656.8904 300.2289 73.0384 99.2661 761771.7950 -18.7140 -19.0164 PRESSURE: 4553600 219.388 28.4418 -255.56 28.4412 59.13 3.41044 -255.56 3.4094 198.8 GPRESSURE: 4553600 244.228 -43.473 -256.884 47.0574 96.2857 47.2487 -138.798 60.797 236.419 PRESSAVG: 4553600 -3.29899 -49.7177 4.43009 -49.7177 -26.9509 7.67374 4.43014 7.67381 -3.26516 GPRESSAVG: 4553600 -2.82408 -50.0473 3.21459 -50.0963 -26.5744 7.57921 4.44475 10.5779 -4.13002 TIMING: 4553600 CPU: 14398.4, 0.00315532/step Wall: 14398.4, 0.00315532/step, 0.39126 hours remaining, 235.894531 MB of memory in use. ENERGY: 4553600 3903.2331 20452.1556 14493.9069 242.0048 -203012.1894 2599.3319 0.0000 0.0000 52195.7634 -109125.7937 299.9698 -161321.5571 -108755.6080 299.8138 159.1060 192.3111 762169.1421 -11.1717 -11.1762 PRESSURE: 4553800 -178.349 -147.936 109.151 -147.936 -238.031 -75.1324 109.151 -75.1326 -118.237 GPRESSURE: 4553800 -158.29 -235.533 119.277 -194.57 -249.377 -59.7746 143.228 -148.334 -35.8386 PRESSAVG: 4553800 40.6952 32.3713 -44.0269 32.3713 -22.693 41.6218 -44.0269 41.6218 -0.329307 GPRESSAVG: 4553800 39.9847 31.3295 -44.3605 31.2879 -22.5569 41.478 -43.4987 40.2332 0.273215 TIMING: 4553800 CPU: 14399, 0.00314179/step Wall: 14399, 0.00314179/step, 0.389407 hours remaining, 235.894531 MB of memory in use. ENERGY: 4553800 4008.4480 20634.4769 14442.8791 244.6459 -203086.3358 2317.9901 0.0000 0.0000 52312.3045 -109125.5914 300.6395 -161437.8959 -108760.6457 299.5571 -178.2056 -147.8353 762735.2751 5.8910 5.9003 PRESSURE: 4554000 306.983 129.335 -144.257 129.336 -121.247 -161.187 -144.257 -161.187 -99.7174 GPRESSURE: 4554000 224.416 93.5606 -152.772 178.185 25.5332 -128.101 -215.038 -111.068 -62.2267 PRESSAVG: 4554000 64.9314 -7.96859 -31.9772 -7.96862 5.55241 -55.0567 -31.9771 -55.0567 13.8069 GPRESSAVG: 4554000 64.7689 -7.40622 -32.3932 -8.13498 7.05535 -54.506 -31.8275 -55.1889 12.5146 TIMING: 4554000 CPU: 14399.7, 0.00315785/step Wall: 14399.7, 0.00315785/step, 0.391223 hours remaining, 235.894531 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: 4554000 3997.7940 20645.3694 14486.2543 249.2796 -203302.8896 2609.1776 0.0000 0.0000 51789.5084 -109525.5062 297.6350 -161315.0146 -109155.4293 299.3394 28.6730 62.5741 761315.0941 28.0969 28.1129 PRESSURE: 4554200 42.5914 -86.7592 86.472 -86.7588 -36.7166 0.633576 86.4724 0.63456 -133.75 GPRESSURE: 4554200 68.8004 -87.2155 147.654 -48.4354 31.8595 5.66223 24.6988 -83.2194 -147.834 PRESSAVG: 4554200 32.6603 20.3681 -47.7576 20.3681 -39.8803 -20.1063 -47.7576 -20.1063 -1.18531 GPRESSAVG: 4554200 32.7127 20.1817 -47.1116 20.3471 -40.5375 -20.7107 -46.7804 -16.344 -0.569684 TIMING: 4554200 CPU: 14400.3, 0.00314308/step Wall: 14400.3, 0.00314308/step, 0.389218 hours remaining, 235.894531 MB of memory in use. ENERGY: 4554200 3889.5135 20535.9418 14491.0962 238.3385 -203301.4723 2452.0797 0.0000 0.0000 52099.4468 -109595.0558 299.4162 -161694.5026 -109233.1805 298.9126 -42.6250 -15.7246 761107.2147 -2.8018 -2.7982 PRESSURE: 4554400 -40.8815 148.806 17.6244 148.807 -46.8627 12.5343 17.6247 12.5342 12.2351 GPRESSURE: 4554400 10.964 140.089 56.8632 109.694 -25.2085 22.6792 -96.5656 -67.7035 27.0922 PRESSAVG: 4554400 83.4006 11.5386 -23.3861 11.5387 -28.3087 -35.0875 -23.3861 -35.0875 -6.12425 GPRESSAVG: 4554400 83.5388 12.3587 -23.65 13.1447 -28.4359 -35.4999 -24.788 -36.5833 -6.15258 TIMING: 4554400 CPU: 14400.9, 0.00313621/step Wall: 14400.9, 0.00313621/step, 0.388193 hours remaining, 235.894531 MB of memory in use. ENERGY: 4554400 3914.9817 20571.4098 14471.5932 257.6826 -203504.9060 2662.6110 0.0000 0.0000 52124.5241 -109502.1036 299.5604 -161626.6277 -109138.0480 298.5802 -25.1697 4.2826 760042.3193 16.3226 16.3168 PRESSURE: 4554600 8.83934 2.4275 -167.397 2.42679 343.328 14.3189 -167.397 14.3191 172.062 GPRESSURE: 4554600 29.5709 -110.042 -116.55 -47.6842 369.721 -37.4992 -184.505 164.142 220.737 PRESSAVG: 4554600 -0.941606 50.9845 -39.4725 50.9844 8.56399 -15.0454 -39.4726 -15.0454 -7.05696 GPRESSAVG: 4554600 -0.0597913 48.9908 -37.835 50.3475 7.91259 -16.3113 -39.9474 -15.6841 -7.16223 TIMING: 4554600 CPU: 14401.5, 0.00315073/step Wall: 14401.5, 0.00315073/step, 0.389815 hours remaining, 235.894531 MB of memory in use. ENERGY: 4554600 3965.4365 20426.6309 14558.2058 246.2339 -203164.9905 2592.8243 0.0000 0.0000 52091.5126 -109284.1464 299.3706 -161375.6590 -108925.5417 299.2028 174.7431 206.6762 761252.2934 0.1885 0.2302 PRESSURE: 4554800 -49.5583 249.25 28.6549 249.25 -428.266 289.406 28.6535 289.407 -578.117 GPRESSURE: 4554800 -75.8444 139.031 79.1996 189.126 -333.05 306.48 -50.7655 269.113 -559.851 PRESSAVG: 4554800 -1.36457 44.704 -33.5015 44.704 2.85317 32.827 -33.5015 32.827 -0.250653 GPRESSAVG: 4554800 -2.05425 47.4248 -35.432 42.8668 3.17302 34.7744 -32.6448 32.5814 -0.0558464 TIMING: 4554800 CPU: 14402.2, 0.00315175/step Wall: 14402.2, 0.00315175/step, 0.389766 hours remaining, 235.894531 MB of memory in use. ENERGY: 4554800 3917.2607 20472.9220 14567.4029 222.2501 -203411.3469 2457.2203 0.0000 0.0000 52309.0857 -109465.2052 300.6210 -161774.2910 -109091.8160 299.1356 -351.9804 -322.9152 764429.6755 0.4126 0.3543 PRESSURE: 4555000 -96.7834 -32.582 109.033 -32.5823 -50.3995 204.095 109.032 204.094 -112.707 GPRESSURE: 4555000 -138.448 131.029 65.2771 -64.0113 18.3282 166.215 229.76 12.2915 -82.3482 PRESSAVG: 4555000 13.8959 19.2084 -22.4977 19.2084 -46.9019 -4.97445 -22.4978 -4.97445 -31.7192 GPRESSAVG: 4555000 13.9933 17.9215 -20.3677 20.518 -47.0737 -5.96175 -20.967 -6.09639 -31.5812 TIMING: 4555000 CPU: 14402.8, 0.00315742/step Wall: 14402.8, 0.00315742/step, 0.390292 hours remaining, 235.894531 MB of memory in use. ENERGY: 4555000 3971.8049 20443.0756 14503.0195 260.2548 -203805.3967 2950.1991 0.0000 0.0000 52181.7380 -109495.3048 299.8892 -161677.0428 -109126.1897 298.8607 -86.6299 -67.4894 762939.1027 -21.5751 -21.5538 PRESSURE: 4555200 -240.616 -21.8965 149.002 -21.8957 -114.265 -129.419 149.002 -129.419 81.746 GPRESSURE: 4555200 -187.085 18.245 100.494 -24.5972 -55.4416 -72.9506 73.4546 -168.989 61.8864 PRESSAVG: 4555200 9.92806 19.8102 -15.0391 19.8101 -10.808 2.65058 -15.0392 2.6505 -26.4083 GPRESSAVG: 4555200 10.1507 20.2276 -16.3583 19.2672 -10.9068 2.13476 -17.1792 5.0605 -26.0222 TIMING: 4555200 CPU: 14403.4, 0.00316232/step Wall: 14403.4, 0.00316232/step, 0.390722 hours remaining, 235.894531 MB of memory in use. ENERGY: 4555200 4043.5425 20502.3372 14549.9240 239.9632 -203439.7805 2927.4821 0.0000 0.0000 51746.9026 -109429.6288 297.3902 -161176.5314 -109066.2689 298.8949 -91.0450 -60.2134 763375.6043 -9.0961 -8.9261 PRESSURE: 4555400 -254.719 -220.078 -152.347 -220.079 296.695 -71.9426 -152.347 -71.9433 -83.6322 GPRESSURE: 4555400 -176.637 -140.461 -73.2268 -10.4654 293.763 -6.67315 30.735 -74.7423 -66.8614 PRESSAVG: 4555400 -4.69523 -4.54832 -15.6408 -4.54832 -9.02768 -28.0104 -15.6408 -28.0104 -3.3643 GPRESSAVG: 4555400 -5.34278 -4.97694 -14.711 -2.76085 -7.58191 -28.181 -15.4512 -27.3963 -5.23876 TIMING: 4555400 CPU: 14404.1, 0.00317866/step Wall: 14404.1, 0.00317866/step, 0.392565 hours remaining, 235.894531 MB of memory in use. ENERGY: 4555400 3900.1142 20626.8576 14482.6841 248.1142 -203771.6793 2873.8411 0.0000 0.0000 52061.8792 -109578.1890 299.2003 -161640.0682 -109219.2112 299.1373 -13.8852 16.7551 762937.9003 -5.6957 -6.0545 PRESSURE: 4555600 213.966 25.5065 -138.517 25.5062 6.23523 -52.5321 -138.516 -52.5315 17.4527 GPRESSURE: 4555600 155.357 -12.3701 -165.512 -128.993 49.0225 -6.26185 -104.281 -3.96183 105.078 PRESSAVG: 4555600 8.93913 47.0418 37.2875 47.0419 -7.57615 -7.76186 37.2874 -7.76186 -1.18822 GPRESSAVG: 4555600 8.8822 44.6588 38.6254 49.7902 -8.86661 -6.98292 38.1444 -9.17001 -0.634158 TIMING: 4555600 CPU: 14404.7, 0.0031768/step Wall: 14404.7, 0.0031768/step, 0.392159 hours remaining, 235.894531 MB of memory in use. ENERGY: 4555600 3963.5045 20470.6191 14556.1421 245.5020 -203456.7886 2671.8465 0.0000 0.0000 51867.8814 -109681.2929 298.0854 -161549.1744 -109325.0695 299.0828 79.2179 103.1524 761563.1381 0.0583 -0.2062 PRESSURE: 4555800 -280.271 63.8985 15.7493 63.8982 349.697 136.095 15.7493 136.094 -125.995 GPRESSURE: 4555800 -199.89 -81.8527 51.5005 48.163 363.472 -8.03448 59.8426 56.6125 -142.217 PRESSAVG: 4555800 -25.8619 -9.34515 -11.5564 -9.34519 8.19324 -31.3441 -11.5565 -31.344 3.01357 GPRESSAVG: 4555800 -25.6279 -7.69514 -11.6444 -12.6988 9.21873 -32.2473 -11.0948 -29.2124 2.46249 TIMING: 4555800 CPU: 14405.3, 0.00316743/step Wall: 14405.3, 0.00316743/step, 0.390825 hours remaining, 235.894531 MB of memory in use. ENERGY: 4555800 4030.5130 20500.1837 14548.4290 233.0203 -203864.1767 3010.4456 0.0000 0.0000 51862.6287 -109678.9563 298.0552 -161541.5850 -109313.6651 298.8054 -18.8562 7.1217 761119.3534 -4.8850 -4.6489 PRESSURE: 4556000 483.401 110.236 -151.776 110.236 50.3627 -136.712 -151.775 -136.713 -181.581 GPRESSURE: 4556000 451.402 290.801 -240.713 108.295 128.454 -114.445 -40.1704 -94.5861 -141.495 PRESSAVG: 4556000 14.7939 -1.44135 -13.8166 -1.4413 -20.4365 -3.41531 -13.8166 -3.41541 0.0856461 GPRESSAVG: 4556000 15.128 0.404198 -15.8363 -1.03768 -20.6702 -1.92073 -12.9903 -5.41964 0.225448 TIMING: 4556000 CPU: 14406, 0.00312756/step Wall: 14406, 0.00312756/step, 0.385733 hours remaining, 235.894531 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: 4556000 4096.2971 20326.4144 14540.7564 257.1955 -204177.0554 3331.5517 0.0000 0.0000 51969.5717 -109655.2686 298.6698 -161624.8402 -109290.3576 298.5584 117.3943 146.1206 760377.8013 -1.8523 -1.7722 PRESSURE: 4556200 -24.2786 -207.398 132.541 -207.397 -264.102 -22.2616 132.541 -22.2616 22.0563 GPRESSURE: 4556200 -26.1492 -140.126 154.776 -199.726 -188.667 1.55519 142.072 31.3805 23.0657 PRESSAVG: 4556200 52.4983 -37.5802 -10.6634 -37.5803 -32.8502 -27.4056 -10.6635 -27.4055 -12.5916 GPRESSAVG: 4556200 52.4153 -38.0603 -9.90571 -38.1119 -33.3427 -26.6402 -11.7716 -28.4133 -11.9624 TIMING: 4556200 CPU: 14406.6, 0.00315154/step Wall: 14406.6, 0.00315154/step, 0.388515 hours remaining, 235.894531 MB of memory in use. ENERGY: 4556200 3913.8827 20369.7182 14481.5948 260.5332 -203079.3519 2542.1224 0.0000 0.0000 51825.6160 -109685.8846 297.8425 -161511.5006 -109321.1774 298.2611 -88.7748 -63.9167 763188.3332 2.3522 2.3701 LDB: ============= START OF LOAD BALANCING ============== 14419.1 LDB: ============== END OF LOAD BALANCING =============== 14419.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14419.1 LDB: ============= START OF LOAD BALANCING ============== 14419.5 LDB: Largest compute 7078 load 0.035670 is 18.2% of average load 0.195634 LDB: Average compute 0.004380 is 2.2% of average load 0.195634 LDB: TIME 14419.5 LOAD: AVG 0.195634 MAX 0.216474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.637 MB LDB: TIME 14419.5 LOAD: AVG 0.195634 MAX 0.216474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.707 MB LDB: TIME 14419.5 LOAD: AVG 0.195634 MAX 0.216474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.707 MB LDB: ============== END OF LOAD BALANCING =============== 14419.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14419.5 PRESSURE: 4556400 -245.195 -51.7952 -197.796 -51.7958 -101.678 136.277 -197.795 136.277 268.721 GPRESSURE: 4556400 -240.81 -74.3555 -139.008 -37.5507 4.36479 164.213 -172.169 165.944 224.272 PRESSAVG: 4556400 -23.1635 -1.05458 -52.9327 -1.05457 3.75734 49.9796 -52.9327 49.9796 -27.6561 GPRESSAVG: 4556400 -23.5798 -0.663504 -52.4788 0.879326 5.32957 49.7576 -51.4481 52.5829 -28.3489 TIMING: 4556400 CPU: 14407.2, 0.00322387/step Wall: 14407.2, 0.00322387/step, 0.397252 hours remaining, 235.394531 MB of memory in use. ENERGY: 4556400 4010.5600 20492.1198 14456.2449 254.9363 -203641.9968 3089.1526 0.0000 0.0000 52042.4284 -109296.5548 299.0886 -161338.9832 -108934.2292 298.4963 -26.0505 -4.0578 763930.4500 -15.6874 -15.5330 PRESSURE: 4556600 65.1867 -36.351 -96.9709 -36.3509 125.712 15.2894 -96.9716 15.2892 49.1734 GPRESSURE: 4556600 199.982 -135.33 -200.898 25.4922 60.9865 -26.6774 -198.632 83.1289 37.8282 PRESSAVG: 4556600 -9.27413 -41.5743 6.73469 -41.5743 47.3372 -9.19394 6.73468 -9.19391 -4.47706 GPRESSAVG: 4556600 -9.56963 -42.6469 6.6613 -42.4449 47.5344 -10.2504 4.52053 -10.4839 -4.30677 TIMING: 4556600 CPU: 14407.9, 0.00315024/step Wall: 14407.9, 0.00315024/step, 0.388005 hours remaining, 235.394531 MB of memory in use. ENERGY: 4556600 3984.8583 20485.6022 14429.0991 235.6809 -204075.8467 3062.0554 0.0000 0.0000 52500.6665 -109377.8843 301.7221 -161878.5508 -109007.6882 299.4393 80.0240 99.5990 760959.7319 11.1953 11.2193 PRESSURE: 4556800 -50.2365 151.661 -3.95227 151.66 396.034 209.485 -3.95276 209.486 120.412 GPRESSURE: 4556800 155.835 17.093 -47.8651 143.185 264.92 210.592 43.5999 37.3117 130.518 PRESSAVG: 4556800 -44.7663 -12.0455 -51.4797 -12.0456 41.4944 -33.397 -51.4796 -33.3969 -35.0964 GPRESSAVG: 4556800 -44.3588 -12.6468 -50.2882 -12.3023 39.6807 -32.1488 -51.6036 -36.7474 -33.4872 TIMING: 4556800 CPU: 14408.5, 0.00313209/step Wall: 14408.5, 0.00313209/step, 0.385595 hours remaining, 235.394531 MB of memory in use. ENERGY: 4556800 4001.8578 20512.2845 14508.7900 247.0643 -203788.9448 2919.2964 0.0000 0.0000 52120.2935 -109479.3582 299.5360 -161599.6518 -109121.6786 299.4771 155.4033 183.7579 761246.2544 -12.7894 -12.7217 PRESSURE: 4557000 182.527 -120.199 -37.1469 -120.199 -183.929 -8.19296 -37.1474 -8.19316 104.565 GPRESSURE: 4557000 148.088 -110.805 27.5075 -90.5325 -84.8113 100.084 -56.9694 -12.5198 108.059 PRESSAVG: 4557000 31.4866 10.0403 -13.6852 10.0402 -6.47321 19.2614 -13.6852 19.2614 -23.0995 GPRESSAVG: 4557000 32.3257 11.0172 -15.7056 9.46226 -6.0345 18.83 -13.0583 21.9228 -24.3867 TIMING: 4557000 CPU: 14409.1, 0.00311711/step Wall: 14409.1, 0.00311711/step, 0.383577 hours remaining, 235.394531 MB of memory in use. ENERGY: 4557000 3957.4389 20602.3961 14456.1467 239.5898 -203175.9542 2677.7157 0.0000 0.0000 51812.1249 -109430.5421 297.7650 -161242.6670 -109058.0208 298.9622 34.3876 57.1119 761964.0176 0.6380 0.6348 PRESSURE: 4557200 -169.991 -24.1689 61.9653 -24.1688 163.984 187.87 61.9645 187.87 -107.559 GPRESSURE: 4557200 -85.0085 -22.6119 53.8308 55.3117 150.81 241.411 89.1182 166.317 -99.6274 PRESSAVG: 4557200 2.48042 -21.7876 43.5199 -21.7877 -37.2627 9.85449 43.5199 9.85448 2.20422 GPRESSAVG: 4557200 2.12241 -23.5228 43.5163 -19.9973 -36.8436 9.45243 42.6473 9.08683 2.02818 TIMING: 4557200 CPU: 14409.8, 0.00313623/step Wall: 14409.8, 0.00313623/step, 0.385757 hours remaining, 235.394531 MB of memory in use. ENERGY: 4557200 3883.1584 20661.2196 14484.5895 245.4101 -203404.6033 2640.1031 0.0000 0.0000 52052.8886 -109437.2339 299.1487 -161490.1225 -109083.4663 299.1427 -37.8553 -11.2752 761735.2731 -10.8594 -10.8977 PRESSURE: 4557400 -276.744 15.8283 -26.4415 15.8281 -39.055 37.5819 -26.4412 37.5816 -89.1173 GPRESSURE: 4557400 -153.051 -12.0525 -43.8247 19.4426 -1.27151 30.4294 -62.7587 77.2994 -162.508 PRESSAVG: 4557400 -32.671 -65.0099 31.0365 -65.0099 51.6256 7.10981 31.0365 7.10987 0.130796 GPRESSAVG: 4557400 -32.1807 -62.9295 32.2385 -66.8854 51.3428 6.90278 31.9515 8.92291 0.22193 TIMING: 4557400 CPU: 14410.4, 0.00315983/step Wall: 14410.4, 0.00315983/step, 0.388484 hours remaining, 235.394531 MB of memory in use. ENERGY: 4557400 4051.3566 20565.5589 14442.1383 254.0372 -203202.6723 2659.5028 0.0000 0.0000 51864.8191 -109365.2594 298.0678 -161230.0785 -108999.7244 299.5938 -134.9721 -105.6102 763404.6802 6.3618 6.4614 PRESSURE: 4557600 -248.132 -147.405 -134.986 -147.406 -153.186 165.242 -134.987 165.241 -73.2512 GPRESSURE: 4557600 -129.201 -147.357 -104.316 -83.4601 -108.234 96.5124 -40.9758 206.653 -132.018 PRESSAVG: 4557600 -44.1243 -6.85973 19.6301 -6.85974 42.0323 -37.9662 19.6302 -37.9662 17.2315 GPRESSAVG: 4557600 -44.7677 -10.2054 19.8878 -4.26945 42.2773 -36.5184 19.1001 -39.1569 17.3934 TIMING: 4557600 CPU: 14411, 0.00315796/step Wall: 14411, 0.00315796/step, 0.388078 hours remaining, 235.394531 MB of memory in use. ENERGY: 4557600 4059.5706 20378.3532 14553.1645 244.0851 -203798.8881 2821.5865 0.0000 0.0000 52149.2188 -109592.9095 299.7023 -161742.1283 -109227.0142 299.4814 -158.1898 -123.1510 761423.7334 5.0465 4.9677 PRESSURE: 4557800 -307.482 189.428 92.525 189.427 -508.867 56.992 92.5245 56.9919 -76.6215 GPRESSURE: 4557800 -335.891 79.6906 115.5 276.474 -411.767 52.7578 207.232 68.0065 -74.6118 PRESSAVG: 4557800 -8.15679 12.0954 -14.1908 12.0953 30.8128 -4.3481 -14.1908 -4.34804 2.41181 GPRESSAVG: 4557800 -8.46135 13.6567 -15.2775 11.1836 32.1526 -3.98725 -13.8616 -4.78903 1.41832 TIMING: 4557800 CPU: 14411.6, 0.00312875/step Wall: 14411.6, 0.00312875/step, 0.384315 hours remaining, 235.394531 MB of memory in use. ENERGY: 4557800 4007.2534 20666.7833 14500.9163 231.9627 -203435.6301 2567.0783 0.0000 0.0000 51977.1702 -109484.4659 298.7135 -161461.6361 -109127.7154 299.0559 -297.6570 -274.0898 761770.8160 8.3559 8.3699 PRESSURE: 4558000 -56.5183 36.2634 -251.313 36.2631 -70.7185 54.5528 -251.312 54.5532 -7.23357 GPRESSURE: 4558000 -13.031 31.6014 -225.847 -94.7722 -30.8164 15.0411 -329.402 -3.01948 8.21071 PRESSAVG: 4558000 -19.9637 8.3733 -0.0045013 8.37323 3.89926 3.40166 -0.00446974 3.4017 7.76705 GPRESSAVG: 4558000 -20.2715 10.6027 0.086724 5.88369 2.9755 2.51159 1.2414 3.3044 8.78821 TIMING: 4558000 CPU: 14412.3, 0.00315811/step Wall: 14412.3, 0.00315811/step, 0.387745 hours remaining, 235.394531 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: 4558000 4055.2897 20514.1888 14502.9933 230.1576 -203551.9437 2472.7402 0.0000 0.0000 52092.2578 -109684.3163 299.3749 -161776.5741 -109323.9194 299.2715 -44.8234 -11.8789 761455.3241 -2.7658 -2.8359 PRESSURE: 4558200 -295.187 108.493 -90.5568 108.493 -15.487 136.77 -90.5561 136.769 -250.842 GPRESSURE: 4558200 -208.767 164.83 -15.9874 -10.3215 -4.5798 99.2591 -174.579 30.9415 -260.245 PRESSAVG: 4558200 -17.598 -42.0201 -83.1594 -42.0202 44.648 11.9983 -83.1594 11.9983 -6.69116 GPRESSAVG: 4558200 -16.9682 -44.4187 -82.3558 -42.6372 44.6463 13.2226 -84.5298 10.9453 -7.10747 TIMING: 4558200 CPU: 14412.9, 0.00314286/step Wall: 14412.9, 0.00314286/step, 0.385699 hours remaining, 235.394531 MB of memory in use. ENERGY: 4558200 4022.9476 20614.9284 14555.0661 244.2671 -203736.1642 2800.4928 0.0000 0.0000 52028.4572 -109470.0049 299.0083 -161498.4622 -109121.0660 299.0121 -187.1722 -157.8638 763536.3321 6.7863 6.8569 PRESSURE: 4558400 64.8565 -67.5809 103.024 -67.5809 -216.127 54.5291 103.024 54.5299 99.1311 GPRESSURE: 4558400 69.0531 -64.5575 211.128 -42.022 -138.217 94.1542 63.2824 -5.17557 107.057 PRESSAVG: 4558400 -18.6496 -26.2617 -19.9048 -26.2617 12.4567 33.9982 -19.9048 33.9982 32.3154 GPRESSAVG: 4558400 -18.7374 -27.3919 -20.421 -22.6557 12.7606 33.7757 -18.3711 34.2636 32.421 TIMING: 4558400 CPU: 14413.5, 0.00315038/step Wall: 14413.5, 0.00315038/step, 0.386446 hours remaining, 235.394531 MB of memory in use. ENERGY: 4558400 3984.6999 20432.9840 14503.0863 264.9813 -203376.9529 2608.8635 0.0000 0.0000 52025.7786 -109556.5592 298.9929 -161582.3378 -109180.7577 299.1869 -17.3799 12.6310 761602.5594 8.7075 8.8148 PRESSURE: 4558600 -130.618 63.4745 161.451 63.4734 307.325 -222.494 161.451 -222.495 306.188 GPRESSURE: 4558600 -20.2739 7.78177 14.1615 -32.7656 231.557 -201.182 96.0714 -354.476 375.395 PRESSAVG: 4558600 0.43114 -5.76129 17.3245 -5.76122 -33.4352 -76.8726 17.3245 -76.8726 -7.36638 GPRESSAVG: 4558600 0.239679 -4.36429 14.7319 -8.3644 -33.4006 -76.9917 16.7667 -74.7715 -7.60244 TIMING: 4558600 CPU: 14414.2, 0.00315012/step Wall: 14414.2, 0.00315012/step, 0.386239 hours remaining, 235.394531 MB of memory in use. ENERGY: 4558600 3987.7644 20453.7593 14419.9332 251.0925 -203602.9650 2924.4722 0.0000 0.0000 51811.3975 -109754.5459 297.7608 -161565.9434 -109384.5788 298.2770 160.9647 195.5596 762380.5499 -13.4568 -13.5878 PRESSURE: 4558800 232.741 203.669 -144.933 203.669 -297.177 121.583 -144.933 121.583 -272.832 GPRESSURE: 4558800 264.946 178.088 -160.266 229.172 -196.942 182.342 -111.484 87.9209 -316.317 PRESSAVG: 4558800 38.7571 31.8615 -11.0123 31.8615 -15.84 -38.3418 -11.0124 -38.3418 6.69391 GPRESSAVG: 4558800 39.7524 32.1086 -8.64413 31.4411 -16.742 -39.7622 -11.6308 -38.8669 6.31407 TIMING: 4558800 CPU: 14414.8, 0.00314466/step Wall: 14414.8, 0.00314466/step, 0.385395 hours remaining, 235.394531 MB of memory in use. ENERGY: 4558800 3953.8165 20457.0461 14431.7947 228.4213 -203700.0616 2801.9181 0.0000 0.0000 52263.2177 -109563.8473 300.3574 -161827.0650 -109189.5149 298.5053 -112.4229 -82.7712 762910.2327 9.8703 9.7748 PRESSURE: 4559000 99.3808 -107.4 -329.88 -107.4 -2.14251 97.4279 -329.881 97.429 104.6 GPRESSURE: 4559000 129.815 -41.1113 -203.346 -232.356 49.7405 26.4606 -358.023 266.752 114.849 PRESSAVG: 4559000 19.5509 -9.33361 -22.3445 -9.33354 -7.66898 -38.546 -22.3444 -38.5461 -0.418983 GPRESSAVG: 4559000 18.4925 -9.46511 -21.3562 -8.95349 -7.58022 -37.5353 -21.0702 -38.5308 0.447923 TIMING: 4559000 CPU: 14415.4, 0.00312759/step Wall: 14415.4, 0.00312759/step, 0.383129 hours remaining, 235.394531 MB of memory in use. ENERGY: 4559000 3968.4602 20535.3506 14465.3535 254.4640 -203584.0396 2811.4580 0.0000 0.0000 51867.9535 -109680.9998 298.0858 -161548.9533 -109323.2382 298.6667 67.2796 98.1347 764324.4348 3.8210 3.7867 PRESSURE: 4559200 -143.205 212.079 59.1566 212.077 -170.305 -135.437 59.1567 -135.436 50.7477 GPRESSURE: 4559200 -180.78 193.75 -56.9204 131.264 -31.1065 -69.4961 88.7356 -47.9675 20.6426 PRESSAVG: 4559200 -15.4534 32.0546 -26.4439 32.0545 4.10473 -27.5355 -26.4439 -27.5355 12.2876 GPRESSAVG: 4559200 -15.7509 31.6002 -27.7481 30.9814 5.19381 -28.3568 -28.5503 -27.5031 12.0228 TIMING: 4559200 CPU: 14416.1, 0.0031488/step Wall: 14416.1, 0.0031488/step, 0.385553 hours remaining, 235.394531 MB of memory in use. ENERGY: 4559200 3933.3391 20591.3795 14461.2414 233.4880 -203768.8996 2709.7041 0.0000 0.0000 52074.3339 -109765.4135 299.2719 -161839.7474 -109390.8728 298.1131 -87.5874 -63.7478 762661.9570 0.3130 0.4886 PRESSURE: 4559400 477.529 -107.172 -36.5158 -107.171 89.1152 -60.0026 -36.5145 -60.0018 314.079 GPRESSURE: 4559400 534.733 -33.8153 83.0297 -107.045 102.314 -181.159 0.53833 -87.6807 334.488 PRESSAVG: 4559400 39.0522 -43.9398 10.4289 -43.9398 20.1336 -11.7587 10.4289 -11.7587 1.8024 GPRESSAVG: 4559400 39.8987 -45.5838 11.988 -43.5789 19.5167 -11.7104 9.20063 -11.2815 1.73943 TIMING: 4559400 CPU: 14416.7, 0.0031415/step Wall: 14416.7, 0.0031415/step, 0.384485 hours remaining, 235.394531 MB of memory in use. ENERGY: 4559400 3943.8182 20505.4750 14547.4867 244.9607 -203866.9025 3116.5991 0.0000 0.0000 51886.1424 -109622.4204 298.1904 -161508.5628 -109266.3556 298.6451 293.5743 323.8451 762565.4985 20.3294 20.3849 PRESSURE: 4559600 133.832 -6.67504 -106.543 -6.67571 -53.8134 15.6335 -106.543 15.6329 34.117 GPRESSURE: 4559600 192.672 163.47 -61.57 9.1714 10.2071 -6.4878 -120 22.9644 19.1626 PRESSAVG: 4559600 -12.9663 -24.5358 5.53222 -24.5358 31.7079 39.6634 5.53231 39.6634 -30.8139 GPRESSAVG: 4559600 -13.1818 -22.8369 5.0813 -24.1716 31.9783 40.0024 8.90239 38.4305 -30.5002 TIMING: 4559600 CPU: 14417.3, 0.00314366/step Wall: 14417.3, 0.00314366/step, 0.384574 hours remaining, 235.394531 MB of memory in use. ENERGY: 4559600 4034.9271 20369.8411 14497.9430 240.9921 -203944.5149 3011.7742 0.0000 0.0000 52197.9311 -109591.1063 299.9822 -161789.0374 -109231.2595 298.5503 38.0452 74.0140 762383.3129 -4.0241 -3.9012 PRESSURE: 4559800 -328.93 29.1603 213.221 29.1611 179.567 219.142 213.221 219.143 -61.1417 GPRESSURE: 4559800 -285.307 -54.1552 204.58 6.0996 227.403 228.309 177.882 221.258 -54.3455 PRESSAVG: 4559800 1.15029 14.9039 38.1294 14.9038 47.1914 44.5483 38.1294 44.5483 -10.1932 GPRESSAVG: 4559800 0.392239 14.8031 35.7706 13.6184 47.3817 44.5272 34.5189 44.2054 -9.50944 TIMING: 4559800 CPU: 14417.9, 0.00314883/step Wall: 14417.9, 0.00314883/step, 0.385032 hours remaining, 235.394531 MB of memory in use. ENERGY: 4559800 3977.7138 20526.2299 14538.1126 252.0111 -203264.7282 2557.7872 0.0000 0.0000 51944.5770 -109468.2966 298.5262 -161412.8736 -109111.7507 299.0613 -70.1683 -37.4167 762977.7999 12.7162 12.7548 PRESSURE: 4560000 242.77 -83.3189 -0.608929 -83.319 326.029 -77.3251 -0.609037 -77.3256 190.556 GPRESSURE: 4560000 287.593 -118.627 159.945 -35.3436 336.576 -78.5986 -25.311 -155.488 214.255 PRESSAVG: 4560000 -79.7083 -13.1385 -9.14925 -13.1385 64.5712 -27.1948 -9.1492 -27.1948 11.7046 GPRESSAVG: 4560000 -78.9104 -14.5921 -7.95995 -11.295 64.7109 -28.7246 -7.64681 -27.3287 11.0854 TIMING: 4560000 CPU: 14418.6, 0.00316788/step Wall: 14418.6, 0.00316788/step, 0.387186 hours remaining, 235.394531 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: 4560000 3977.5612 20356.0671 14488.6136 245.1740 -203630.5436 3032.9599 0.0000 0.0000 52041.6694 -109488.4984 299.0842 -161530.1678 -109130.4658 298.9494 253.1182 279.4749 761943.6989 -1.1442 -1.0381 PRESSURE: 4560200 79.4761 57.0701 65.5327 57.0708 -101.582 -352.379 65.533 -352.379 198.155 GPRESSURE: 4560200 102.823 101.438 79.9317 -21.7411 -57.0418 -311.344 198.831 -318.244 193.851 PRESSAVG: 4560200 -23.9216 -18.3271 26.5232 -18.3271 47.4783 -23.9015 26.5232 -23.9015 -9.2233 GPRESSAVG: 4560200 -24.7313 -17.4536 26.6522 -18.4968 47.8257 -22.4506 27.6013 -22.3258 -8.95984 TIMING: 4560200 CPU: 14419.2, 0.00313758/step Wall: 14419.2, 0.00313758/step, 0.383307 hours remaining, 235.394531 MB of memory in use. ENERGY: 4560200 4034.1710 20514.1363 14482.5236 233.2422 -203683.7439 2733.5996 0.0000 0.0000 52041.9253 -109644.1459 299.0857 -161686.0712 -109284.4777 298.5266 58.6828 79.8773 762064.5458 4.7778 4.7115 LDB: ============= START OF LOAD BALANCING ============== 14431.7 LDB: ============== END OF LOAD BALANCING =============== 14431.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14431.7 LDB: ============= START OF LOAD BALANCING ============== 14432 LDB: Largest compute 7078 load 0.034517 is 17.6% of average load 0.195632 LDB: Average compute 0.004374 is 2.2% of average load 0.195632 LDB: TIME 14432 LOAD: AVG 0.195632 MAX 0.213779 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 14432.1 LOAD: AVG 0.195632 MAX 0.213779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: TIME 14432.1 LOAD: AVG 0.195632 MAX 0.213779 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.883 MB LDB: ============== END OF LOAD BALANCING =============== 14432.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14432.1 PRESSURE: 4560400 -402.027 -59.451 -79.6676 -59.4514 -75.5294 150.613 -79.6677 150.613 -568.2 GPRESSURE: 4560400 -333.102 -100.804 -15.6263 0.302334 -143.639 -0.744505 -24.2844 159.483 -467.43 PRESSAVG: 4560400 -5.03192 13.0077 -35.8533 13.0077 22.8301 -16.5274 -35.8533 -16.5274 18.2813 GPRESSAVG: 4560400 -3.73208 14.9046 -35.314 12.0815 21.2318 -16.9731 -36.7917 -16.324 18.7778 TIMING: 4560400 CPU: 14419.8, 0.00321159/step Wall: 14419.8, 0.00321158/step, 0.39217 hours remaining, 235.652344 MB of memory in use. ENERGY: 4560400 4078.2700 20439.8330 14506.0907 239.5282 -203059.2193 2409.4179 0.0000 0.0000 51850.1712 -109535.9083 297.9836 -161386.0795 -109178.8919 298.6581 -348.5854 -314.7234 761998.8312 12.0265 12.0925 PRESSURE: 4560600 -153.558 -40.1455 12.1973 -40.1461 39.2902 28.7151 12.1978 28.7156 -67.5282 GPRESSURE: 4560600 -94.0275 0.361326 8.24311 -200.826 83.6842 33.5932 -75.8938 -93.2608 -68.9521 PRESSAVG: 4560600 -28.8989 -17.5335 12.0657 -17.5336 -3.43242 0.222599 12.0656 0.222587 2.05731 GPRESSAVG: 4560600 -28.8729 -16.5409 10.7981 -18.467 -1.53039 1.11081 12.5231 0.340165 0.538527 TIMING: 4560600 CPU: 14420.5, 0.00314833/step Wall: 14420.5, 0.00314833/step, 0.384272 hours remaining, 235.855469 MB of memory in use. ENERGY: 4560600 3995.9915 20633.2774 14445.3500 248.2900 -203362.5135 2393.3175 0.0000 0.0000 51997.9126 -109648.3744 298.8327 -161646.2870 -109280.5241 298.9209 -60.5987 -26.4318 760181.8761 -10.0913 -9.9549 PRESSURE: 4560800 91.9196 -48.1631 -184.07 -48.1633 -138.689 -80.4458 -184.07 -80.446 -95.3216 GPRESSURE: 4560800 108.216 -7.13649 -161.432 -42.3388 -99.2862 -36.6702 -217.578 -3.87051 -70.1369 PRESSAVG: 4560800 55.0404 -40.9884 -44.5171 -40.9884 7.21404 -12.9068 -44.5171 -12.9069 -30.9521 GPRESSAVG: 4560800 55.5418 -42.6671 -43.2581 -40.9827 6.60263 -13.8773 -46.2245 -13.082 -31.1215 TIMING: 4560800 CPU: 14421.1, 0.00316418/step Wall: 14421.1, 0.00316418/step, 0.38603 hours remaining, 235.855469 MB of memory in use. ENERGY: 4560800 4008.9855 20563.5485 14485.2990 246.3710 -204116.2797 3166.6737 0.0000 0.0000 52007.3823 -109638.0197 298.8871 -161645.4020 -109277.3618 298.8001 -47.3638 -20.4023 760058.8069 10.4341 10.3410 PRESSURE: 4561000 -128.174 8.90965 -354.552 8.90901 85.7592 26.1881 -354.553 26.188 -18.0199 GPRESSURE: 4561000 -25.6006 59.94 -324.694 91.9446 38.6431 -19.468 -371.233 -6.62852 34.2877 PRESSAVG: 4561000 33.0644 -36.0167 -13.3164 -36.0166 -1.55996 -14.0232 -13.3164 -14.0232 14.2936 GPRESSAVG: 4561000 32.014 -38.2005 -12.1084 -33.9395 -1.21958 -13.6561 -12.2112 -14.1572 15.0705 TIMING: 4561000 CPU: 14421.7, 0.0031538/step Wall: 14421.7, 0.0031538/step, 0.384589 hours remaining, 235.855469 MB of memory in use. ENERGY: 4561000 3980.3231 20392.5237 14472.3837 231.3107 -203499.6706 2819.1337 0.0000 0.0000 52003.9500 -109600.0458 298.8674 -161603.9958 -109226.7476 299.0595 -20.1449 15.7767 763797.4788 15.2660 15.2883 PRESSURE: 4561200 219.65 -36.57 -46.0598 -36.5696 -16.5782 55.2809 -46.059 55.2815 197.496 GPRESSURE: 4561200 221.566 17.178 -48.425 -64.6153 50.6008 44.028 -58.3077 -59.8745 203.335 PRESSAVG: 4561200 5.90051 -19.7379 34.4957 -19.738 0.195407 1.14409 34.4958 1.14413 9.88255 GPRESSAVG: 4561200 6.37074 -17.5893 34.4475 -20.8802 -1.24779 2.06564 33.3497 0.382419 10.7076 TIMING: 4561200 CPU: 14422.4, 0.00314509/step Wall: 14422.4, 0.00314509/step, 0.383351 hours remaining, 235.855469 MB of memory in use. ENERGY: 4561200 3998.1569 20526.8758 14431.2840 236.1123 -203185.1092 2682.8363 0.0000 0.0000 51998.1236 -109311.7202 298.8339 -161309.8438 -108943.8609 299.0861 133.5225 158.5005 763138.4992 5.3262 5.2769 PRESSURE: 4561400 268.848 243.789 93.0614 243.79 -581.885 137.686 93.0615 137.687 -279.497 GPRESSURE: 4561400 198.846 264.754 72.0313 313.54 -467.351 137.589 170.941 104.008 -223.04 PRESSAVG: 4561400 1.1427 -1.59516 -30.8326 -1.59514 -8.65325 -21.601 -30.8326 -21.601 0.0451934 GPRESSAVG: 4561400 -1.07105 -1.98154 -32.6775 -1.86623 -5.86463 -22.151 -31.3353 -20.7292 -0.293719 TIMING: 4561400 CPU: 14423, 0.00315411/step Wall: 14423, 0.00315411/step, 0.384276 hours remaining, 235.855469 MB of memory in use. ENERGY: 4561400 3952.7378 20447.7812 14485.1809 261.1087 -203332.7187 2404.3578 0.0000 0.0000 52430.5156 -109351.0367 301.3189 -161781.5523 -108982.0368 299.4457 -197.5116 -163.8482 762041.2112 -2.4885 -2.4098 PRESSURE: 4561600 -284.773 -164.301 25.6175 -164.301 -207.372 -6.77347 25.6178 -6.77274 -263.576 GPRESSURE: 4561600 -111.241 -177.31 -65.892 -70.0308 -250.215 -39.4973 -28.5376 -54.9218 -291.996 PRESSAVG: 4561600 41.0779 -18.4229 -49.2784 -18.423 -34.1287 -48.5866 -49.2784 -48.5865 14.5114 GPRESSAVG: 4561600 42.8311 -20.0188 -48.8633 -18.5823 -35.7302 -48.64 -46.1873 -49.0231 14.7788 TIMING: 4561600 CPU: 14423.6, 0.00315569/step Wall: 14423.6, 0.00315569/step, 0.384293 hours remaining, 235.855469 MB of memory in use. ENERGY: 4561600 4057.2479 20632.9298 14495.7997 249.7493 -203472.7314 2551.1708 0.0000 0.0000 52227.4747 -109258.3592 300.1520 -161485.8338 -108905.2329 299.7887 -251.9071 -217.8173 762196.4778 7.1535 7.2932 PRESSURE: 4561800 470.665 -249.242 -87.0938 -249.241 32.5164 25.5967 -87.0937 25.5966 61.6466 GPRESSURE: 4561800 421.731 -119.994 -41.8058 -208.318 164.988 83.0838 -82.2626 -79.3357 63.8779 PRESSAVG: 4561800 102.342 18.3922 -51.6955 18.3922 -74.7663 -30.3627 -51.6954 -30.3627 -0.726206 GPRESSAVG: 4561800 102.358 20.0575 -49.2958 17.8761 -74.7175 -30.364 -53.571 -30.4955 -0.647874 TIMING: 4561800 CPU: 14424.3, 0.00315464/step Wall: 14424.3, 0.00315464/step, 0.38399 hours remaining, 235.855469 MB of memory in use. ENERGY: 4561800 4026.9983 20536.3988 14524.0074 269.1170 -203814.0791 3118.6907 0.0000 0.0000 52010.6657 -109328.2011 298.9060 -161338.8668 -108970.5406 299.7350 188.2759 216.8658 761742.8598 8.9497 8.9976 PRESSURE: 4562000 -155.975 -174.916 -22.0114 -174.916 -144.747 -56.704 -22.0114 -56.7046 76.8543 GPRESSURE: 4562000 -178.405 -199.936 14.4426 -140.448 -89.9912 -62.8122 16.2669 -109.727 130.307 PRESSAVG: 4562000 -11.0749 -19.245 -51.5802 -19.245 19.8762 -10.0526 -51.5803 -10.0525 18.1305 GPRESSAVG: 4562000 -12.3466 -21.3151 -53.0764 -16.9745 21.9173 -10.7243 -50.7287 -8.36519 17.4679 TIMING: 4562000 CPU: 14424.9, 0.00316066/step Wall: 14424.9, 0.00316066/step, 0.384547 hours remaining, 235.855469 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: 4562000 3986.6277 20465.6481 14469.4339 243.0639 -203312.3791 2598.8664 0.0000 0.0000 52261.7567 -109286.9823 300.3490 -161548.7390 -108925.5234 299.5063 -74.6225 -46.0298 761387.1508 8.9773 9.0129 PRESSURE: 4562200 36.543 160.897 -83.386 160.897 -76.2554 50.0496 -83.3861 50.0486 21.7313 GPRESSURE: 4562200 69.0815 172.373 -64.9723 16.1634 -1.50168 64.6628 -148.527 64.9653 14.1271 PRESSAVG: 4562200 -41.9322 -28.5859 -30.2856 -28.5859 8.9176 21.7854 -30.2856 21.7854 -10.8973 GPRESSAVG: 4562200 -40.7878 -27.2542 -31.063 -31.6725 7.98247 21.8529 -30.8024 23.0048 -10.9892 TIMING: 4562200 CPU: 14425.5, 0.00315042/step Wall: 14425.5, 0.00315042/step, 0.383126 hours remaining, 235.855469 MB of memory in use. ENERGY: 4562200 4085.0122 20569.0440 14485.6166 232.4332 -203551.5808 2882.5838 0.0000 0.0000 51927.1715 -109369.7196 298.4262 -161296.8911 -109015.6084 299.9694 -5.9937 27.2357 761920.7537 -14.6373 -14.5982 PRESSURE: 4562400 150.692 106.912 -95.4648 106.913 2.93319 -91.6203 -95.4653 -91.6213 310.636 GPRESSURE: 4562400 189.627 117.131 -121.178 39.9876 -33.448 -104.053 -12.2996 -171.451 390.268 PRESSAVG: 4562400 42.9466 26.784 -4.53682 26.784 -28.7395 -41.1968 -4.53684 -41.1967 10.8797 GPRESSAVG: 4562400 42.8346 26.1814 -3.16962 29.3308 -29.4598 -41.8238 -3.62278 -42.7075 11.5876 TIMING: 4562400 CPU: 14426.1, 0.0031534/step Wall: 14426.1, 0.0031534/step, 0.383314 hours remaining, 235.855469 MB of memory in use. ENERGY: 4562400 3979.5421 20619.1427 14426.6782 240.2266 -203406.3814 2901.9645 0.0000 0.0000 52054.9187 -109183.9086 299.1603 -161238.8274 -108826.5096 299.4274 154.7537 182.1490 763378.1450 8.3623 8.3208 PRESSURE: 4562600 -291.033 -137.132 6.86998 -137.133 152.315 -24.7054 6.86981 -24.7068 60.2498 GPRESSURE: 4562600 -364.83 -131.262 -5.62266 -144.917 249.241 1.32387 -3.73642 71.2822 101.111 PRESSAVG: 4562600 -5.21551 61.1433 -47.0923 61.1432 11.0742 -68.1107 -47.0923 -68.1106 21.8915 GPRESSAVG: 4562600 -6.04921 62.3626 -48.6313 59.1373 12.6975 -66.4001 -47.2637 -67.9831 21.4346 TIMING: 4562600 CPU: 14426.8, 0.00313617/step Wall: 14426.8, 0.00313617/step, 0.381044 hours remaining, 235.855469 MB of memory in use. ENERGY: 4562600 3907.2579 20378.7883 14489.0887 241.4093 -203407.5345 2676.4130 0.0000 0.0000 52306.7415 -109407.8357 300.6076 -161714.5773 -109032.7370 299.7148 -26.1560 -4.8259 761950.6425 9.2501 9.3610 PRESSURE: 4562800 -107.961 -135.071 46.1422 -135.071 -8.20977 -128.175 46.1433 -128.176 -145.343 GPRESSURE: 4562800 -84.8051 -241.664 -65.7714 -17.6134 29.4869 -169.281 39.4616 -125.727 -103.472 PRESSAVG: 4562800 -35.1912 26.7064 -27.5119 26.7064 51.2712 -24.2751 -27.512 -24.2751 8.23056 GPRESSAVG: 4562800 -34.1989 25.0151 -28.0462 29.7062 49.8912 -24.8214 -27.6661 -25.9169 8.55787 TIMING: 4562800 CPU: 14427.4, 0.0031415/step Wall: 14427.4, 0.0031415/step, 0.381518 hours remaining, 235.855469 MB of memory in use. ENERGY: 4562800 4006.4161 20517.0332 14363.5915 251.5855 -203539.4360 2804.1442 0.0000 0.0000 52160.8692 -109435.7963 299.7692 -161596.6655 -109068.1834 299.4999 -87.1713 -52.9302 762128.2665 8.1035 8.0834 PRESSURE: 4563000 -196.869 -126.936 97.6917 -126.935 -56.0171 -75.2279 97.6912 -75.2282 365.229 GPRESSURE: 4563000 -151.492 -127.343 146.613 -275.176 3.14391 -50.7021 31.2791 -99.5767 319.246 PRESSAVG: 4563000 -29.5093 5.73282 -41.4227 5.7328 56.1806 -36.1201 -41.4227 -36.1201 0.522891 GPRESSAVG: 4563000 -28.7136 6.94332 -39.5985 2.97197 55.9517 -36.9175 -45.0424 -35.6813 -0.0805208 TIMING: 4563000 CPU: 14428, 0.00314752/step Wall: 14428, 0.00314752/step, 0.382074 hours remaining, 235.855469 MB of memory in use. ENERGY: 4563000 3996.0417 20595.6317 14434.2317 234.3125 -203438.3540 2559.7485 0.0000 0.0000 52247.4727 -109370.9151 300.2669 -161618.3878 -108995.6953 299.0197 37.4476 56.9659 759732.7964 9.0647 9.0525 PRESSURE: 4563200 63.3152 39.3571 21.2021 39.3554 -58.0022 -38.6693 21.2026 -38.6699 182.038 GPRESSURE: 4563200 115.013 159.96 -76.5278 91.494 -6.4815 -42.2994 6.90786 22.322 163.917 PRESSAVG: 4563200 -20.4925 -73.5012 37.6857 -73.5011 37.2267 -58.6194 37.6857 -58.6194 28.0576 GPRESSAVG: 4563200 -21.5104 -73.9448 37.1013 -73.9596 37.8273 -59.2466 38.8246 -57.5515 27.5139 TIMING: 4563200 CPU: 14428.7, 0.00314828/step Wall: 14428.7, 0.00314828/step, 0.381992 hours remaining, 235.855469 MB of memory in use. ENERGY: 4563200 3934.4420 20611.2825 14393.8062 244.0634 -203318.4880 2617.8229 0.0000 0.0000 52376.4375 -109140.6335 301.0081 -161517.0710 -108776.3862 299.9296 62.4504 90.8162 761847.7205 14.9306 14.6103 PRESSURE: 4563400 -56.1786 -33.2584 44.7896 -33.2587 -280.788 23.2369 44.7895 23.2379 37.8085 GPRESSURE: 4563400 -94.2846 -90.0412 65.9246 51.7277 -236.743 -21.5446 136.506 -56.7755 90.7097 PRESSAVG: 4563400 6.6379 -62.0736 -24.3886 -62.0735 -17.3259 -14.3465 -24.3885 -14.3466 24.6516 GPRESSAVG: 4563400 6.14317 -63.0106 -23.1494 -60.5949 -18.1939 -14.8188 -23.0731 -14.1745 26.0616 TIMING: 4563400 CPU: 14429.3, 0.0031623/step Wall: 14429.3, 0.0031623/step, 0.383517 hours remaining, 235.855469 MB of memory in use. ENERGY: 4563400 4025.9114 20595.7472 14471.8370 244.9170 -203097.5762 2467.7938 0.0000 0.0000 52132.7971 -109158.5727 299.6079 -161291.3697 -108808.3410 299.5832 -99.7193 -80.1060 760788.5773 4.6545 4.6703 PRESSURE: 4563600 128.994 -109.741 -98.2748 -109.741 -28.8398 -26.8192 -98.2745 -26.8189 716.19 GPRESSURE: 4563600 181.962 -46.5811 -129.707 -223.99 73.0503 -40.0369 -36.6518 36.9008 637.329 PRESSAVG: 4563600 7.11697 -25.6509 13.0464 -25.6509 34.7441 7.47414 13.0464 7.47422 -13.1038 GPRESSAVG: 4563600 7.17895 -28.4413 10.6036 -24.884 34.4467 8.70542 14.4491 6.87756 -13.2719 TIMING: 4563600 CPU: 14429.9, 0.00317179/step Wall: 14429.9, 0.00317179/step, 0.384492 hours remaining, 235.855469 MB of memory in use. ENERGY: 4563600 3950.7845 20458.3652 14452.4191 244.2864 -203516.1976 2814.0541 0.0000 0.0000 52389.0707 -109207.2177 301.0807 -161596.2883 -108840.1087 299.6670 272.1150 297.4470 761179.4540 9.5858 9.4512 PRESSURE: 4563800 252.157 -127.946 -362.442 -127.947 -62.5445 70.8198 -362.441 70.8195 66.4109 GPRESSURE: 4563800 132.338 -90.0421 -370.023 -166.192 79.7863 41.3197 -364.571 144.894 140.577 PRESSAVG: 4563800 -51.9302 -10.9027 3.53117 -10.9027 73.2938 7.75756 3.53115 7.75761 1.87836 GPRESSAVG: 4563800 -51.2764 -7.99217 4.11065 -13.5875 73.6213 6.86319 2.80389 8.08658 0.702758 TIMING: 4563800 CPU: 14430.6, 0.0031378/step Wall: 14430.6, 0.0031378/step, 0.380197 hours remaining, 235.855469 MB of memory in use. ENERGY: 4563800 3993.2091 20462.4814 14519.1005 240.1482 -203224.1171 2602.0037 0.0000 0.0000 52294.6133 -109112.5609 300.5379 -161407.1742 -108751.7682 299.4630 85.3413 117.5671 761235.5874 7.7473 7.6826 PRESSURE: 4564000 202.596 211.872 -9.66591 211.871 -257.154 134.653 -9.6663 134.653 336.129 GPRESSURE: 4564000 242.628 274.088 -6.10577 306.418 -123.937 171.079 108.564 37.495 259.886 PRESSAVG: 4564000 -33.8675 -6.03879 16.2185 -6.03873 10.3281 18.2112 16.2185 18.2113 -15.03 GPRESSAVG: 4564000 -35.0545 -7.11917 17.494 -5.76725 9.23819 20.9267 13.8656 17.9194 -12.7868 TIMING: 4564000 CPU: 14431.2, 0.00314078/step Wall: 14431.2, 0.00314078/step, 0.380384 hours remaining, 235.855469 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: 4564000 3938.0306 20584.7359 14547.1207 275.1045 -203561.5557 2877.1591 0.0000 0.0000 52509.1695 -108830.2353 301.7709 -161339.4048 -108461.5108 300.8258 93.8571 126.1923 761496.1361 -12.8565 -12.8677 PRESSURE: 4564200 79.1637 -144.404 316.957 -144.404 133.258 91.1695 316.956 91.1704 425.694 GPRESSURE: 4564200 60.4972 -75.4721 253.543 -110.105 175.051 51.4323 293.323 203.666 485.532 PRESSAVG: 4564200 -54.5185 2.50352 9.84163 2.50347 59.6614 44.73 9.8416 44.73 14.1677 GPRESSAVG: 4564200 -52.6255 4.02517 8.92617 2.04558 59.7853 43.6619 9.35706 43.7869 12.4282 TIMING: 4564200 CPU: 14431.8, 0.00315312/step Wall: 14431.8, 0.00315312/step, 0.381702 hours remaining, 235.855469 MB of memory in use. ENERGY: 4564200 3921.9108 20564.1659 14586.8859 246.6969 -203403.2209 2951.0699 0.0000 0.0000 52175.8617 -108956.6298 299.8554 -161132.4915 -108606.8335 300.2706 212.7054 240.3600 762960.2668 6.4369 6.5293 LDB: ============= START OF LOAD BALANCING ============== 14444.3 LDB: ============== END OF LOAD BALANCING =============== 14444.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14444.4 LDB: ============= START OF LOAD BALANCING ============== 14444.7 LDB: Largest compute 7077 load 0.033364 is 17.1% of average load 0.195671 LDB: Average compute 0.004371 is 2.2% of average load 0.195671 LDB: TIME 14444.7 LOAD: AVG 0.195671 MAX 0.213444 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.676 MB LDB: TIME 14444.7 LOAD: AVG 0.195671 MAX 0.213444 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.676 MB LDB: TIME 14444.7 LOAD: AVG 0.195671 MAX 0.213444 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.676 MB LDB: ============== END OF LOAD BALANCING =============== 14444.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14444.7 PRESSURE: 4564400 -38.33 -43.6519 56.6443 -43.6526 56.3335 -148.569 56.6439 -148.569 77.6045 GPRESSURE: 4564400 -35.9274 -5.20066 104.599 3.47434 92.4156 -118.887 37.0244 -93.7825 122.92 PRESSAVG: 4564400 -33.9281 -87.5394 16.7519 -87.5395 47.8137 -21.8217 16.7519 -21.8216 -10.2646 GPRESSAVG: 4564400 -34.7792 -87.7548 17.1906 -88.5722 47.5936 -21.1997 18.9477 -20.2485 -9.12172 TIMING: 4564400 CPU: 14432.5, 0.00323253/step Wall: 14432.5, 0.00323253/step, 0.391136 hours remaining, 236.984375 MB of memory in use. ENERGY: 4564400 3989.6480 20440.9233 14561.5337 265.1729 -202797.0093 2523.0012 0.0000 0.0000 52080.8650 -108935.8651 299.3094 -161016.7301 -108574.3891 300.1774 31.8693 59.8027 761552.0841 1.2070 1.2309 PRESSURE: 4564600 -274.101 -109.129 104.926 -109.129 -17.0745 302.332 104.925 302.331 -83.6846 GPRESSURE: 4564600 -294.895 -65.4946 167.845 -55.9706 50.5826 274.76 37.0948 273.334 -56.9088 PRESSAVG: 4564600 -11.9073 -84.2301 9.50967 -84.2301 4.29972 -8.39831 9.50968 -8.39828 -0.504753 GPRESSAVG: 4564600 -10.3348 -83.4821 8.63669 -83.5146 3.37322 -7.13529 7.52872 -9.28806 -1.52275 TIMING: 4564600 CPU: 14433.1, 0.00314915/step Wall: 14433.1, 0.00314915/step, 0.380873 hours remaining, 237.242188 MB of memory in use. ENERGY: 4564600 3972.2157 20634.0190 14422.8289 251.7315 -203083.8142 2509.9827 0.0000 0.0000 52329.6564 -108963.3801 300.7393 -161293.0364 -108605.6001 299.7860 -124.9533 -100.4070 761851.3155 -2.7041 -2.8281 PRESSURE: 4564800 -113.333 -1.53658 48.9121 -1.53605 -362.941 -180.264 48.9126 -180.264 -62.0653 GPRESSURE: 4564800 -92.0848 98.2522 -4.5488 -72.0027 -251.255 -135.151 6.83282 -145.532 -110.227 PRESSAVG: 4564800 -11.6776 -26.9366 14.3585 -26.9366 -13.7157 -8.70063 14.3585 -8.70056 7.30666 GPRESSAVG: 4564800 -13.4786 -28.7864 13.937 -26.4236 -11.3592 -10.6395 15.0203 -7.45516 6.55268 TIMING: 4564800 CPU: 14433.7, 0.00313778/step Wall: 14433.7, 0.00313778/step, 0.379323 hours remaining, 237.292969 MB of memory in use. ENERGY: 4564800 3957.6099 20480.6678 14502.1464 265.4789 -203148.1095 2721.7772 0.0000 0.0000 52391.7303 -108828.6990 301.0960 -161220.4293 -108464.0004 300.4429 -179.4465 -151.1887 761802.1409 -6.0289 -6.0951 PRESSURE: 4565000 -40.0929 30.2914 208.298 30.2928 -421.795 130.711 208.298 130.711 107.013 GPRESSURE: 4565000 -27.8318 121.732 179.447 149.37 -367.102 113.229 184.282 120.579 135.863 PRESSAVG: 4565000 11.9967 -13.5459 3.03613 -13.5459 -38.4116 -52.069 3.03609 -52.069 14.3897 GPRESSAVG: 4565000 12.6389 -12.7622 4.91519 -14.8902 -38.9011 -49.8051 2.81939 -53.9528 14.1263 TIMING: 4565000 CPU: 14434.3, 0.00314718/step Wall: 14434.3, 0.00314718/step, 0.380284 hours remaining, 237.437500 MB of memory in use. ENERGY: 4565000 3960.7409 20590.1850 14481.4535 264.4686 -203129.6680 2590.0835 0.0000 0.0000 52067.9377 -109174.7989 299.2352 -161242.7366 -108805.8651 300.1416 -118.2917 -86.3570 762191.9010 -4.0084 -4.0453 PRESSURE: 4565200 375.264 -111.316 125.482 -111.316 148.422 192.73 125.483 192.728 -96.7545 GPRESSURE: 4565200 366.701 -57.7782 164.467 -77.9088 142.43 264.632 132.64 298.81 -26.2346 PRESSAVG: 4565200 -0.784281 -10.4755 -1.72593 -10.4755 9.89518 -43.1029 -1.72593 -43.1029 12.3984 GPRESSAVG: 4565200 -0.462404 -10.8964 -2.69161 -10.14 9.84636 -44.8664 -4.59421 -41.9621 12.884 TIMING: 4565200 CPU: 14435, 0.00314132/step Wall: 14435, 0.00314132/step, 0.379402 hours remaining, 237.449219 MB of memory in use. ENERGY: 4565200 3991.7085 20457.7373 14533.7820 245.0522 -203617.4047 2778.0250 0.0000 0.0000 52148.8446 -109462.2550 299.7001 -161611.0997 -109103.9981 300.0100 142.3107 160.9657 761550.7936 7.1698 7.4227 PRESSURE: 4565400 -302.825 -114.012 -46.9936 -114.011 -209.077 9.86899 -46.9936 9.86797 -492.121 GPRESSURE: 4565400 -278.851 -2.89986 -33.6178 -42.5629 -228.536 -106.568 -3.61618 37.7804 -420.321 PRESSAVG: 4565400 -25.274 2.09985 17.5442 2.09982 19.6833 -22.7479 17.5442 -22.748 5.57026 GPRESSAVG: 4565400 -25.6742 3.71545 17.2706 1.79934 18.7216 -24.0934 21.4939 -22.4844 6.47217 TIMING: 4565400 CPU: 14435.6, 0.00314519/step Wall: 14435.6, 0.00314519/step, 0.379695 hours remaining, 237.449219 MB of memory in use. ENERGY: 4565400 4027.4032 20515.0643 14503.3026 242.8083 -203487.5152 2518.5020 0.0000 0.0000 52051.6788 -109628.7559 299.1417 -161680.4348 -109260.8731 298.9420 -334.6743 -309.2357 760772.8391 -0.0068 -0.1602 PRESSURE: 4565600 -92.0278 31.4239 -9.59794 31.4238 224.358 -316.48 -9.59813 -316.479 -378.55 GPRESSURE: 4565600 -76.2885 33.6079 -17.2437 57.4883 288.591 -268.238 -32.5545 -334.994 -358.177 PRESSAVG: 4565600 -5.17872 60.5037 37.3831 60.5037 53.5222 3.10884 37.3831 3.10883 -6.43275 GPRESSAVG: 4565600 -5.03624 59.2687 37.4026 59.2009 53.3545 3.00314 36.6253 2.46764 -6.12316 TIMING: 4565600 CPU: 14436.2, 0.0031369/step Wall: 14436.2, 0.0031369/step, 0.378519 hours remaining, 237.449219 MB of memory in use. ENERGY: 4565600 4003.6390 20481.5045 14464.5352 232.7952 -203521.7001 2736.7725 0.0000 0.0000 51892.5840 -109709.8698 298.2274 -161602.4538 -109351.5500 298.4211 -82.0732 -48.6248 761788.3555 13.9702 14.0650 PRESSURE: 4565800 14.6665 -38.8934 142.646 -38.8943 -303.695 146.725 142.645 146.727 182.694 GPRESSURE: 4565800 55.5687 -115.224 157.403 -26.4561 -230.345 219.747 187.483 111.819 172.899 PRESSAVG: 4565800 10.402 -7.543 -18.838 -7.54305 10.5432 13.5354 -18.838 13.5355 25.994 GPRESSAVG: 4565800 11.0076 -8.30436 -19.557 -6.94977 11.2305 15.3426 -17.1278 13.0052 24.4713 TIMING: 4565800 CPU: 14436.9, 0.00316302/step Wall: 14436.9, 0.00316302/step, 0.381495 hours remaining, 237.449219 MB of memory in use. ENERGY: 4565800 4040.9934 20391.5670 14422.8582 247.5241 -203486.4412 2643.0315 0.0000 0.0000 52150.2846 -109590.1824 299.7084 -161740.4671 -109230.4004 298.8712 -35.4447 -0.6257 760654.5537 15.6464 15.5698 PRESSURE: 4566000 -367.996 303.093 -12.2419 303.093 189.638 -18.1999 -12.2417 -18.2005 -36.8671 GPRESSURE: 4566000 -253.196 330.267 -83.7483 364.768 126.078 -64.5141 -9.27352 34.3174 -14.23 PRESSAVG: 4566000 -22.4537 6.35053 -47.4931 6.35056 8.91189 5.43086 -47.4931 5.43088 5.21481 GPRESSAVG: 4566000 -22.5126 7.79764 -48.4126 7.18938 8.23194 5.2034 -48.9702 5.34627 6.24764 TIMING: 4566000 CPU: 14437.5, 0.00314522/step Wall: 14437.5, 0.00314522/step, 0.379174 hours remaining, 237.449219 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: 4566000 4037.7812 20459.0233 14482.0009 252.1112 -203719.3482 2687.9347 0.0000 0.0000 52227.8295 -109572.6675 300.1541 -161800.4970 -109209.1245 298.5785 -71.7418 -47.1159 759889.4579 -2.7757 -2.6777 PRESSURE: 4566200 -311.291 -43.4019 56.0387 -43.4018 -163.365 -224.532 56.0396 -224.532 -146.727 GPRESSURE: 4566200 -258.574 -91.4913 31.5172 -129.083 -121.247 -159.344 5.57796 -178.074 -162.258 PRESSAVG: 4566200 -18.3066 29.182 -6.79584 29.182 60.4731 29.1332 -6.79582 29.1332 -6.27526 GPRESSAVG: 4566200 -18.2051 25.3648 -6.36105 29.3325 60.5273 28.3386 -7.31993 32.0986 -6.6728 TIMING: 4566200 CPU: 14438.1, 0.00313253/step Wall: 14438.1, 0.00313253/step, 0.37747 hours remaining, 237.449219 MB of memory in use. ENERGY: 4566200 4036.8878 20468.6550 14475.6456 237.2948 -203473.1962 2630.4748 0.0000 0.0000 52041.1756 -109583.0626 299.0814 -161624.2382 -109209.8511 298.9375 -207.1275 -180.6929 760051.8828 11.9638 11.8831 PRESSURE: 4566400 -72.973 25.0769 -199.88 25.0765 -361.189 118.645 -199.88 118.644 94.3616 GPRESSURE: 4566400 -44.5251 62.6194 -220.018 -88.3598 -330.236 115.074 -229.253 -15.8361 114.738 PRESSAVG: 4566400 -29.2505 -8.72049 -25.1614 -8.72048 21.0061 -7.92813 -25.1614 -7.92807 24.0838 GPRESSAVG: 4566400 -30.7617 -7.11292 -24.2866 -9.89571 22.4611 -6.25269 -23.804 -10.3554 24.2401 TIMING: 4566400 CPU: 14438.7, 0.00313123/step Wall: 14438.7, 0.00313124/step, 0.37714 hours remaining, 237.449219 MB of memory in use. ENERGY: 4566400 4005.6734 20493.9014 14397.1965 247.2304 -203096.7745 2441.7290 0.0000 0.0000 51910.5786 -109600.4652 298.3308 -161511.0438 -109247.7936 298.8290 -113.2669 -86.6744 761553.6275 5.2798 5.3132 PRESSURE: 4566600 -87.4487 -13.1727 -34.2735 -13.173 -351.191 134.01 -34.2734 134.009 126.145 GPRESSURE: 4566600 -109.953 -21.1818 -48.0902 -84.6616 -148.943 193.302 -29.2534 59.0716 30.5742 PRESSAVG: 4566600 7.8988 -27.4264 -35.6566 -27.4263 -24.5397 5.2584 -35.6566 5.25836 -5.71298 GPRESSAVG: 4566600 8.93687 -27.1522 -37.0883 -26.1827 -25.1733 4.36646 -36.2966 5.95607 -6.62039 TIMING: 4566600 CPU: 14439.4, 0.00314533/step Wall: 14439.4, 0.00314533/step, 0.378663 hours remaining, 237.449219 MB of memory in use. ENERGY: 4566600 3993.8821 20473.0320 14476.8799 245.3019 -202957.0972 2434.5498 0.0000 0.0000 51821.1406 -109512.3110 297.8168 -161333.4516 -109148.3308 298.4811 -104.1650 -76.1075 760942.5110 -7.4513 -7.6189 PRESSURE: 4566800 -97.1938 320.872 127.112 320.872 2.71646 43.927 127.111 43.926 31.5615 GPRESSURE: 4566800 -171.398 364.16 86.7452 294.893 152.184 37.9275 120.163 24.2318 25.0673 PRESSAVG: 4566800 -28.9672 -29.7617 -65.2812 -29.7617 16.3817 44.003 -65.2812 44.003 -17.643 GPRESSAVG: 4566800 -28.6799 -28.9237 -64.2052 -29.3345 15.1056 42.6551 -64.7706 43.0901 -17.2138 TIMING: 4566800 CPU: 14440, 0.00315758/step Wall: 14440, 0.00315758/step, 0.379963 hours remaining, 237.449219 MB of memory in use. ENERGY: 4566800 3974.1554 20361.9380 14488.4050 240.3964 -203670.5298 2784.4434 0.0000 0.0000 51916.9800 -109904.2117 298.3676 -161821.1917 -109539.6203 298.4882 -20.9720 1.9512 760832.2942 -10.0762 -10.2627 PRESSURE: 4567000 106.755 150.817 -22.0189 150.818 31.4467 -48.7479 -22.0188 -48.7476 -121.678 GPRESSURE: 4567000 109.05 174.699 -5.83643 94.6996 124.524 -73.9673 28.0228 -19.698 -142.192 PRESSAVG: 4567000 -89.4848 6.75181 -60.2377 6.75182 81.9191 -24.8707 -60.2378 -24.8706 -2.90168 GPRESSAVG: 4567000 -89.5639 8.31593 -60.3539 4.93381 81.9012 -24.0526 -59.9209 -25.1467 -2.83128 TIMING: 4567000 CPU: 14440.6, 0.00316316/step Wall: 14440.6, 0.00316316/step, 0.380458 hours remaining, 237.449219 MB of memory in use. ENERGY: 4567000 3866.5699 20386.4781 14524.8153 250.4728 -203688.5420 2652.3363 0.0000 0.0000 52120.0344 -109887.8351 299.5346 -162007.8696 -109514.4275 298.1076 5.5079 30.4608 760920.1755 -3.4891 -3.4980 PRESSURE: 4567200 106.961 75.2217 2.10731 75.2221 -77.8997 -322.658 2.10753 -322.658 -16.2545 GPRESSURE: 4567200 75.1883 66.9794 -41.0082 -31.5519 18.2871 -311.963 -30.6131 -116.031 0.884217 PRESSAVG: 4567200 -63.3418 19.1907 -38.5981 19.1907 -5.45896 -3.98294 -38.5981 -3.98284 2.90243 GPRESSAVG: 4567200 -63.909 17.8654 -39.3278 18.3625 -4.79634 -6.72203 -39.9625 -1.91076 2.99615 TIMING: 4567200 CPU: 14441.3, 0.00314285/step Wall: 14441.3, 0.00314285/step, 0.37784 hours remaining, 237.449219 MB of memory in use. ENERGY: 4567200 3969.9394 20450.8871 14468.1662 251.4689 -203820.0356 2998.8916 0.0000 0.0000 51993.3702 -109687.3121 298.8066 -161680.6823 -109325.6648 298.1285 4.2691 31.4532 760114.9209 -21.9661 -21.9031 PRESSURE: 4567400 -171.992 -185.98 -121.057 -185.981 -214.99 -55.9057 -121.058 -55.9067 106.064 GPRESSURE: 4567400 -133.746 -38.3523 -72.193 -326.885 -185.091 -40.794 -130.927 30.7681 118.832 PRESSAVG: 4567400 -16.9923 39.1416 17.2666 39.1415 50.7603 -15.2997 17.2666 -15.2998 17.6317 GPRESSAVG: 4567400 -15.5888 39.5924 17.8064 38.947 49.2337 -11.6894 17.2143 -15.9182 17.7804 TIMING: 4567400 CPU: 14441.9, 0.00316339/step Wall: 14441.9, 0.00316339/step, 0.380134 hours remaining, 237.449219 MB of memory in use. ENERGY: 4567400 3957.0125 20542.3595 14441.4937 249.5135 -203905.3427 2925.7383 0.0000 0.0000 51960.5088 -109828.7163 298.6178 -161789.2252 -109476.9190 298.6905 -93.6394 -66.6687 762990.4758 17.1332 17.1418 PRESSURE: 4567600 120.142 89.7197 -101.513 89.7206 -206.534 -137.932 -101.514 -137.933 35.0794 GPRESSURE: 4567600 42.1641 47.993 -15.4896 83.9634 -65.848 -134.682 -132.161 -131.994 65.0277 PRESSAVG: 4567600 1.65825 42.2387 -0.144191 42.2387 27.1347 -24.0168 -0.144167 -24.0168 16.9856 GPRESSAVG: 4567600 0.189258 39.4492 -0.5481 43.3034 29.4699 -24.0371 1.38297 -25.6198 16.4651 TIMING: 4567600 CPU: 14442.5, 0.00317217/step Wall: 14442.5, 0.00317217/step, 0.381013 hours remaining, 237.449219 MB of memory in use. ENERGY: 4567600 3996.3180 20431.7906 14460.6761 239.0048 -203385.0413 2535.3734 0.0000 0.0000 51883.0064 -109838.8719 298.1724 -161721.8784 -109480.3710 298.2359 -17.1042 13.7813 763111.5919 15.2595 15.3747 PRESSURE: 4567800 139.908 57.4202 85.7249 57.4206 -13.8264 40.08 85.7249 40.0796 -172.8 GPRESSURE: 4567800 142.907 96.3102 106.406 9.4376 94.0998 -1.23139 -34.117 137.656 -161.074 PRESSAVG: 4567800 -68.7081 -13.9655 40.3306 -13.9656 7.18389 -28.5646 40.3307 -28.5647 -33.6582 GPRESSAVG: 4567800 -68.8366 -12.3362 39.679 -13.2873 6.63104 -30.5009 39.976 -27.065 -32.77 TIMING: 4567800 CPU: 14443.2, 0.00316856/step Wall: 14443.2, 0.00316856/step, 0.380404 hours remaining, 237.449219 MB of memory in use. ENERGY: 4567800 3959.9756 20401.1007 14407.3409 253.2398 -203138.9391 2727.2944 0.0000 0.0000 51631.6264 -109758.3614 296.7277 -161389.9878 -109398.1287 297.7455 -15.5729 25.3108 763842.8449 -31.7275 -31.6585 PRESSURE: 4568000 284.011 62.0839 179.138 62.0833 -279.181 -22.9754 179.137 -22.9753 -252.064 GPRESSURE: 4568000 324.535 81.2774 215.588 20.9685 -252.774 -26.4897 150.537 -5.30879 -224.33 PRESSAVG: 4568000 -8.51541 -11.6988 -19.9481 -11.6988 9.93243 4.03775 -19.9481 4.03773 -8.21221 GPRESSAVG: 4568000 -7.36535 -10.5911 -18.6207 -13.0431 8.49995 4.86038 -20.8029 3.75277 -8.07597 TIMING: 4568000 CPU: 14443.8, 0.00315673/step Wall: 14443.8, 0.00315673/step, 0.378808 hours remaining, 237.449219 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: 4568000 3998.2630 20441.4811 14431.0828 226.8684 -203133.0561 2621.5036 0.0000 0.0000 51703.6380 -109710.2192 297.1415 -161413.8572 -109359.5698 298.3465 -82.4111 -50.8562 761905.1321 -2.2651 -2.3138 PRESSURE: 4568200 -248.68 -127.394 -53.7488 -127.395 -161.472 -59.1761 -53.7492 -59.1763 -69.2299 GPRESSURE: 4568200 -249.899 -28.022 -88.8695 -106.481 -90.1215 -111.259 -61.234 -154.88 -62.3857 PRESSAVG: 4568200 -5.62404 17.5418 -33.7474 17.5419 -25.6615 40.9939 -33.7474 40.9939 6.07641 GPRESSAVG: 4568200 -5.14962 16.1436 -35.094 18.6749 -24.3385 42.6844 -33.241 38.3843 4.59842 TIMING: 4568200 CPU: 14444.4, 0.00313518/step Wall: 14444.4, 0.00313518/step, 0.376048 hours remaining, 237.449219 MB of memory in use. ENERGY: 4568200 3963.1054 20422.9539 14413.6102 243.4858 -203004.0871 2491.3576 0.0000 0.0000 51913.5585 -109556.0156 298.3479 -161469.5742 -109188.2304 298.1498 -159.7940 -134.1354 765017.1704 -8.4031 -8.2966 LDB: ============= START OF LOAD BALANCING ============== 14457 LDB: ============== END OF LOAD BALANCING =============== 14457 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14457 LDB: ============= START OF LOAD BALANCING ============== 14457.3 LDB: Largest compute 7078 load 0.033765 is 17.3% of average load 0.195606 LDB: Average compute 0.004376 is 2.2% of average load 0.195606 LDB: TIME 14457.3 LOAD: AVG 0.195606 MAX 0.21303 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.492 MB LDB: TIME 14457.3 LOAD: AVG 0.195606 MAX 0.21303 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.695 MB LDB: TIME 14457.3 LOAD: AVG 0.195606 MAX 0.21303 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.695 MB LDB: ============== END OF LOAD BALANCING =============== 14457.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14457.3 PRESSURE: 4568400 -191.246 146.2 22.5275 146.2 -202.974 -24.4629 22.5281 -24.4617 404.48 GPRESSURE: 4568400 -132.98 110.586 -63.0899 97.9775 -142.026 21.2173 -24.6101 -54.1454 362.901 PRESSAVG: 4568400 17.0667 45.1894 -51.2644 45.1894 1.35051 -10.3906 -51.2643 -10.3906 -0.919393 GPRESSAVG: 4568400 16.313 43.1066 -52.5174 45.9828 1.30391 -8.40258 -50.6035 -10.2413 0.219108 TIMING: 4568400 CPU: 14445.1, 0.00323629/step Wall: 14445.1, 0.00323629/step, 0.387995 hours remaining, 235.394531 MB of memory in use. ENERGY: 4568400 3960.6698 20284.5401 14559.3008 241.3486 -203135.7793 2581.6989 0.0000 0.0000 52053.2323 -109454.9888 299.1506 -161508.2211 -109090.2904 298.8222 3.4200 29.2983 763296.0080 5.8326 5.9453 PRESSURE: 4568600 308.194 -54.6685 -325.962 -54.6683 411.162 -0.149329 -325.963 -0.149376 10.3694 GPRESSURE: 4568600 392.501 -84.2943 -326.334 -67.1434 395.475 -22.4074 -284.762 52.5129 25.5396 PRESSAVG: 4568600 23.7398 40.0755 -88.6118 40.0755 -29.0523 15.4273 -88.6118 15.4273 -12.842 GPRESSAVG: 4568600 24.4694 40.9355 -86.8105 40.1329 -28.4497 12.887 -89.4173 17.8978 -13.9623 TIMING: 4568600 CPU: 14445.7, 0.00314515/step Wall: 14445.7, 0.00314515/step, 0.376894 hours remaining, 235.636719 MB of memory in use. ENERGY: 4568600 4021.0088 20356.4766 14486.1310 244.7786 -203608.8244 3039.1850 0.0000 0.0000 52275.1686 -109186.0758 300.4261 -161461.2445 -108819.8246 299.5920 243.2417 271.1720 763103.9851 -6.0515 -5.9808 PRESSURE: 4568800 -176.154 -43.517 -199.696 -43.5172 -395.762 87.7016 -199.695 87.7026 -286.26 GPRESSURE: 4568800 -124.299 -78.3131 -273.798 -87.7904 -446.855 12.8537 -63.8143 95.8046 -214.615 PRESSAVG: 4568800 -20.2907 21.6679 -10.5604 21.6679 5.24069 28.8519 -10.5605 28.8519 8.01224 GPRESSAVG: 4568800 -20.0756 22.2671 -10.366 22.5834 4.67764 29.2738 -9.82539 28.611 7.84708 TIMING: 4568800 CPU: 14446.3, 0.00313733/step Wall: 14446.3, 0.00313733/step, 0.375783 hours remaining, 235.636719 MB of memory in use. ENERGY: 4568800 4110.0981 20581.7908 14510.4542 276.0780 -203143.9747 2507.7698 0.0000 0.0000 51837.1272 -109320.6567 297.9087 -161157.7839 -108957.7627 299.4812 -286.0585 -261.9227 762241.5794 -2.3459 -2.5170 PRESSURE: 4569000 109.427 -184.507 -95.2463 -184.507 -127.253 -34.126 -95.2463 -34.1268 -73.4187 GPRESSURE: 4569000 260.015 -244.104 -121.706 -60.2775 -191.018 -56.1842 -90.6321 -29.4585 -66.8726 PRESSAVG: 4569000 18.2547 45.243 -33.2944 45.243 -41.8126 39.5941 -33.2944 39.5941 -9.33293 GPRESSAVG: 4569000 18.5988 46.0883 -34.6073 44.0386 -42.494 38.8593 -33.1057 39.8271 -9.07564 TIMING: 4569000 CPU: 14447, 0.00316754/step Wall: 14447, 0.00316754/step, 0.379225 hours remaining, 235.636719 MB of memory in use. ENERGY: 4569000 3931.2772 20265.2078 14451.4310 256.5677 -203293.2406 2525.3739 0.0000 0.0000 52359.1373 -109504.2457 300.9087 -161863.3830 -109126.1076 299.1201 -30.4148 0.7083 763620.7121 -10.9636 -10.9903 PRESSURE: 4569200 -135.821 92.1697 -129.041 92.1701 -37.0677 -181.211 -129.041 -181.213 64.8022 GPRESSURE: 4569200 -178.146 104.459 -55.1616 106.971 10.7365 -146.639 -168.368 -195.7 139.577 PRESSAVG: 4569200 24.108 69.64 -24.8155 69.64 46.0718 2.23025 -24.8156 2.23032 19.8497 GPRESSAVG: 4569200 23.7591 68.1744 -23.6763 70.1925 46.7467 2.2186 -26.2242 1.04288 19.0903 TIMING: 4569200 CPU: 14447.6, 0.00314618/step Wall: 14447.6, 0.00314618/step, 0.376493 hours remaining, 235.636719 MB of memory in use. ENERGY: 4569200 3938.6586 20367.1183 14423.5476 239.3262 -202871.3985 2411.6794 0.0000 0.0000 52179.6188 -109311.4494 299.8770 -161491.0682 -108941.6515 299.1733 -36.0288 -9.2776 763949.9023 30.0098 29.8654 PRESSURE: 4569400 -171.937 -4.53719 105.777 -4.53773 -63.8516 306.565 105.778 306.565 -201.178 GPRESSURE: 4569400 -170.142 43.3628 -30.5638 -28.1728 -9.74185 258.175 178.623 295.184 -165.78 PRESSAVG: 4569400 13.6199 18.7249 6.12215 18.725 -19.3196 4.56528 6.12215 4.56532 -7.80067 GPRESSAVG: 4569400 13.002 20.0409 5.19148 17.4921 -20.0651 6.90761 7.50875 3.2259 -6.35884 TIMING: 4569400 CPU: 14448.2, 0.00315291/step Wall: 14448.2, 0.00315291/step, 0.377123 hours remaining, 235.636719 MB of memory in use. ENERGY: 4569400 3985.8374 20473.6175 14436.4421 255.0201 -203386.3898 2792.6518 0.0000 0.0000 52172.0529 -109270.7681 299.8335 -161442.8209 -108907.7545 299.5419 -145.6553 -115.2212 764087.4401 -4.5001 -4.4740 PRESSURE: 4569600 170.602 6.31219 184.899 6.31154 352.151 31.4141 184.899 31.4145 253.08 GPRESSURE: 4569600 204.906 -34.945 204.201 -93.8331 414.523 85.7454 48.1569 101.305 217.92 PRESSAVG: 4569600 46.2852 17.9486 20.3539 17.9487 -44.3922 32.5757 20.3539 32.5757 0.565722 GPRESSAVG: 4569600 46.407 17.827 21.008 17.6508 -43.4035 31.091 17.8818 34.3786 -0.672659 TIMING: 4569600 CPU: 14448.9, 0.00315841/step Wall: 14448.9, 0.00315841/step, 0.377606 hours remaining, 235.636719 MB of memory in use. ENERGY: 4569600 3990.9589 20621.3211 14527.3490 249.4242 -203498.3620 2673.7180 0.0000 0.0000 51998.6322 -109436.9586 298.8369 -161435.5908 -109082.0529 299.6801 258.6108 279.1164 760780.8282 0.8196 0.7769 PRESSURE: 4569800 -369.78 -105.986 -100.618 -105.986 29.5633 -201.289 -100.618 -201.288 -19.9998 GPRESSURE: 4569800 -263.551 28.0096 -107.264 -97.1994 42.1578 -163.001 12.103 -200.364 -69.6095 PRESSAVG: 4569800 -36.7438 -10.6149 -20.8151 -10.6149 33.6338 29.2627 -20.8151 29.2626 -14.222 GPRESSAVG: 4569800 -38.1757 -11.9457 -19.7373 -9.73788 33.6488 28.2585 -17.9107 29.2269 -13.2258 TIMING: 4569800 CPU: 14449.5, 0.00315822/step Wall: 14449.5, 0.00315822/step, 0.377407 hours remaining, 235.636719 MB of memory in use. ENERGY: 4569800 3977.0988 20403.2569 14469.9885 241.9304 -203597.4499 2794.4594 0.0000 0.0000 51908.3190 -109802.3971 298.3178 -161710.7160 -109430.1903 298.8665 -120.0722 -97.0009 761069.2446 -5.7773 -5.9176 PRESSURE: 4570000 -209.261 -108.54 -114.648 -108.539 195.649 -82.5639 -114.647 -82.5638 188.012 GPRESSURE: 4570000 -147.827 -47.1294 -159.821 -129.852 162.572 -56.8069 -51.248 -104.645 235.293 PRESSAVG: 4570000 -51.4639 12.0846 26.5244 12.0847 45.5994 -12.095 26.5243 -12.095 22.2653 GPRESSAVG: 4570000 -49.9704 14.7688 26.9404 11.6158 45.3948 -9.4476 24.635 -13.2148 21.4341 TIMING: 4570000 CPU: 14450.1, 0.00316764/step Wall: 14450.1, 0.00316764/step, 0.378357 hours remaining, 235.636719 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: 4570000 3949.9957 20411.8729 14558.7418 251.6300 -203442.4599 2571.6231 0.0000 0.0000 51953.8284 -109744.7680 298.5794 -161698.5963 -109378.9313 297.9940 58.1335 83.3458 761393.2703 5.4670 5.6195 PRESSURE: 4570200 84.1134 -199.573 252.18 -199.573 84.8789 18.2061 252.181 18.2066 -383.227 GPRESSURE: 4570200 102.399 -158.291 242.051 -191.234 73.8254 76.3321 289.421 -10.932 -308.632 PRESSAVG: 4570200 -48.1184 6.46853 29.127 6.46852 48.1624 0.939841 29.127 0.939862 18.7482 GPRESSAVG: 4570200 -48.7749 6.67717 27.1364 5.47596 48.5505 -0.510558 31.12 0.529705 19.0045 TIMING: 4570200 CPU: 14450.8, 0.00316892/step Wall: 14450.8, 0.00316892/step, 0.378333 hours remaining, 235.636719 MB of memory in use. ENERGY: 4570200 3922.8361 20399.1837 14395.9423 235.8336 -203454.8336 2634.6962 0.0000 0.0000 51973.2206 -109893.1212 298.6908 -161866.3418 -109528.7938 298.4185 -71.4117 -44.1358 761131.0275 6.2641 6.2601 PRESSURE: 4570400 -152.491 -110.006 -46.8944 -110.006 350.674 104.037 -46.8952 104.037 416.193 GPRESSURE: 4570400 -86.6269 -69.2848 -26.6107 -36.6831 391.673 32.5086 -66.9408 94.2684 379.57 PRESSAVG: 4570400 -13.1275 -4.14545 28.7392 -4.14547 60.2288 -13.034 28.7393 -13.034 -24.6856 GPRESSAVG: 4570400 -11.5913 -6.88759 30.4898 -4.88987 59.579 -14.5537 29.8149 -12.7801 -25.1595 TIMING: 4570400 CPU: 14451.4, 0.00314358/step Wall: 14451.4, 0.00314358/step, 0.375134 hours remaining, 235.636719 MB of memory in use. ENERGY: 4570400 3968.4052 20421.8532 14484.0349 224.2874 -203533.3266 2637.2745 0.0000 0.0000 51960.1841 -109837.2873 298.6159 -161797.4714 -109472.2003 297.9783 204.7922 228.2055 760485.4998 7.4719 7.6094 PRESSURE: 4570600 12.124 -87.9293 -18.4249 -87.93 22.5699 -81.5892 -18.4249 -81.5899 -373.658 GPRESSURE: 4570600 27.6232 -61.7943 -70.4151 43.3555 28.6087 -53.9362 -30.467 -34.4879 -315.746 PRESSAVG: 4570600 7.0974 -2.1223 -23.348 -2.12222 32.1254 6.54877 -23.348 6.54878 16.7491 GPRESSAVG: 4570600 6.04001 -0.909216 -21.083 -1.124 30.9596 10.0253 -27.4408 5.66376 18.4025 TIMING: 4570600 CPU: 14452, 0.00315434/step Wall: 14452, 0.00315434/step, 0.376243 hours remaining, 235.636719 MB of memory in use. ENERGY: 4570600 3921.4684 20483.1082 14541.7769 208.8976 -203485.2832 2638.9197 0.0000 0.0000 51736.5733 -109954.5391 297.3308 -161691.1124 -109594.1067 297.2856 -112.9880 -86.5047 762699.7406 18.6573 18.4674 PRESSURE: 4570800 -153.532 -30.9469 0.654108 -30.9466 -159.655 117.281 0.653748 117.281 -98.8298 GPRESSURE: 4570800 -63.9952 -177.352 84.0939 -73.3693 -140.65 181.145 -28.9209 69.3765 -131.982 PRESSAVG: 4570800 63.9847 20.4331 34.056 20.4331 -19.3711 -11.6296 34.0559 -11.6297 -10.3494 GPRESSAVG: 4570800 63.6565 18.8806 33.2787 22.2892 -17.7602 -14.7944 33.3624 -8.51157 -10.9038 TIMING: 4570800 CPU: 14452.7, 0.00317522/step Wall: 14452.7, 0.00317522/step, 0.378557 hours remaining, 235.636719 MB of memory in use. ENERGY: 4570800 3988.9342 20556.8430 14574.6710 252.8145 -203416.8831 2659.1257 0.0000 0.0000 51739.8480 -109644.6467 297.3496 -161384.4947 -109286.5313 297.8077 -137.3389 -112.2088 763187.1219 11.4214 11.6642 PRESSURE: 4571000 -172.426 -64.8757 -63.25 -64.8755 160.748 211.732 -63.2499 211.732 142.672 GPRESSURE: 4571000 -117.306 -120.54 -66.741 -101.577 217.39 255.849 -24.4019 229.764 113.417 PRESSAVG: 4571000 -32.367 -4.88196 14.7336 -4.8819 2.51053 -10.1579 14.7336 -10.1579 6.49665 GPRESSAVG: 4571000 -32.3391 -4.68834 12.8442 -5.50783 3.02239 -9.73341 16.9652 -12.3866 5.86153 TIMING: 4571000 CPU: 14453.3, 0.00318005/step Wall: 14453.3, 0.00318005/step, 0.378957 hours remaining, 235.636719 MB of memory in use. ENERGY: 4571000 3940.2329 20553.4845 14669.0354 229.2240 -203901.4298 2813.1684 0.0000 0.0000 51950.5331 -109745.7514 298.5604 -161696.2846 -109386.8464 298.1760 43.6645 71.1669 761386.1563 -7.7866 -7.8184 PRESSURE: 4571200 252.988 -53.3862 -34.1813 -53.3861 65.2394 -240.193 -34.1805 -240.194 -182.824 GPRESSURE: 4571200 257.429 -30.8617 -93.2486 -29.7093 65.4407 -233.759 -62.7362 -152.667 -98.1593 PRESSAVG: 4571200 -24.6004 11.1209 -14.4145 11.1209 52.8973 -46.1526 -14.4145 -46.1525 -9.03021 GPRESSAVG: 4571200 -24.6351 11.477 -15.1701 11.2676 51.8818 -44.5575 -14.0044 -46.2424 -8.0112 TIMING: 4571200 CPU: 14453.9, 0.00318651/step Wall: 14453.9, 0.00318651/step, 0.379549 hours remaining, 235.636719 MB of memory in use. ENERGY: 4571200 3959.9452 20562.5445 14464.4309 251.3682 -203641.9974 2793.2099 0.0000 0.0000 51838.8267 -109771.6719 297.9184 -161610.4986 -109408.3050 298.6727 45.1344 74.9036 761509.6114 6.4222 6.4118 PRESSURE: 4571400 -4.77603 -12.133 -52.9098 -12.1351 76.4834 63.6127 -52.91 63.6132 -607.244 GPRESSURE: 4571400 23.9018 83.9113 -106.6 52.5877 108.206 -7.6855 -3.03263 14.2878 -568.549 PRESSAVG: 4571400 -23.0815 -28.0213 -45.9336 -28.0214 53.6575 3.52011 -45.9336 3.52008 7.26029 GPRESSAVG: 4571400 -23.9393 -27.242 -45.4667 -28.8305 55.4757 2.13115 -44.1501 3.63653 6.1031 TIMING: 4571400 CPU: 14454.6, 0.00318417/step Wall: 14454.6, 0.00318417/step, 0.379093 hours remaining, 235.636719 MB of memory in use. ENERGY: 4571400 3983.8820 20374.1334 14519.8493 248.3990 -203473.9629 2682.5962 0.0000 0.0000 52021.1959 -109643.9070 298.9665 -161665.1029 -109289.5351 298.1571 -178.5122 -145.4804 764099.3480 12.6121 12.5465 PRESSURE: 4571600 210.511 53.4985 -46.4382 53.4986 30.1067 165.488 -46.4378 165.487 147.787 GPRESSURE: 4571600 267.287 -75.0489 -54.1284 15.4483 120.142 150.846 0.199866 -15.831 97.0332 PRESSAVG: 4571600 -26.4583 7.84236 10.8753 7.84241 36.0118 -3.53261 10.8753 -3.53258 -14.1502 GPRESSAVG: 4571600 -25.0264 8.52519 10.1359 7.51531 35.8158 -4.22423 9.49341 -0.87288 -15.2095 TIMING: 4571600 CPU: 14455.2, 0.00316335/step Wall: 14455.2, 0.00316335/step, 0.376439 hours remaining, 235.636719 MB of memory in use. ENERGY: 4571600 4051.7648 20421.1798 14562.6898 239.0553 -203437.6475 2698.2753 0.0000 0.0000 51956.6884 -109507.9939 298.5958 -161464.6823 -109155.5124 298.5160 129.4680 161.4876 762087.8596 -1.5322 -1.4734 PRESSURE: 4571800 -29.1302 -62.7553 193.66 -62.7546 170.119 -34.2245 193.659 -34.2231 -132.098 GPRESSURE: 4571800 30.8937 -102.204 198.254 -12.1687 132.585 -89.5378 162.964 -40.1329 -69.3772 PRESSAVG: 4571800 26.798 -9.61905 -9.30681 -9.61901 11.9242 35.913 -9.30685 35.913 19.6651 GPRESSAVG: 4571800 25.8384 -12.0277 -7.12883 -8.83719 11.2044 36.2369 -9.348 33.6673 21.0404 TIMING: 4571800 CPU: 14455.8, 0.00316305/step Wall: 14455.8, 0.00316305/step, 0.376227 hours remaining, 235.636719 MB of memory in use. ENERGY: 4571800 3978.3135 20622.8684 14472.9920 241.9947 -203610.3983 2632.9674 0.0000 0.0000 52061.7622 -109599.5001 299.1997 -161661.2623 -109247.6512 298.5691 2.9637 31.3672 760762.4188 19.4624 19.3611 PRESSURE: 4572000 222.549 -21.259 -160.644 -21.258 43.9082 -55.1301 -160.644 -55.1295 24.9376 GPRESSURE: 4572000 237.676 -53.0747 -126.187 -27.851 68.5702 -165.047 20.7244 -78.5632 70.706 PRESSAVG: 4572000 -10.9015 -16.3659 8.29976 -16.366 0.31551 28.3609 8.29974 28.3608 12.225 GPRESSAVG: 4572000 -11.1994 -13.7909 6.44634 -18.1423 0.750113 26.518 7.61056 29.6851 11.7717 TIMING: 4572000 CPU: 14456.5, 0.00317786/step Wall: 14456.5, 0.00317786/step, 0.377812 hours remaining, 235.636719 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: 4572000 3955.9310 20384.2157 14434.7718 226.1833 -203475.5198 2642.1968 0.0000 0.0000 52209.0392 -109623.1820 300.0461 -161832.2212 -109256.5770 298.8645 97.1317 125.6507 761729.6905 0.5463 0.4408 PRESSURE: 4572200 94.775 -99.5777 209.154 -99.5784 -12.1358 48.6843 209.155 48.6855 95.0118 GPRESSURE: 4572200 135.038 -57.9426 165.661 -194.275 -1.73457 134.232 6.57669 -170.807 159.723 PRESSAVG: 4572200 15.0332 4.31282 37.0436 4.31283 -36.2929 65.8619 37.0435 65.8619 11.3957 GPRESSAVG: 4572200 15.245 1.74799 36.8781 5.02402 -36.9759 68.7058 38.8397 62.6964 11.7636 TIMING: 4572200 CPU: 14457.1, 0.00317974/step Wall: 14457.1, 0.00317974/step, 0.377859 hours remaining, 235.636719 MB of memory in use. ENERGY: 4572200 3999.0027 20598.2957 14489.5698 252.9056 -203256.1301 2535.4286 0.0000 0.0000 52052.9666 -109327.9611 299.1491 -161380.9277 -108966.6677 299.4844 59.2170 97.6757 760650.3233 -3.2880 -3.3224 LDB: ============= START OF LOAD BALANCING ============== 14469.6 LDB: ============== END OF LOAD BALANCING =============== 14469.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14469.6 LDB: ============= START OF LOAD BALANCING ============== 14470 LDB: Largest compute 7078 load 0.034967 is 17.9% of average load 0.195634 LDB: Average compute 0.004401 is 2.2% of average load 0.195634 LDB: TIME 14470 LOAD: AVG 0.195634 MAX 0.212882 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 14470 LOAD: AVG 0.195634 MAX 0.212882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 14470 LOAD: AVG 0.195634 MAX 0.212882 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 14470 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14470 PRESSURE: 4572400 -10.7618 -227.161 36.8507 -227.162 42.6456 124.564 36.8496 124.563 -36.2424 GPRESSURE: 4572400 92.9108 -115.265 -70.6499 -217.851 105.202 90.5155 159.595 103.892 -97.6468 PRESSAVG: 4572400 0.9206 62.3199 -35.7491 62.3198 -6.62699 4.24912 -35.7491 4.24915 -20.0995 GPRESSAVG: 4572400 1.76879 64.6256 -35.1503 59.5871 -5.75362 3.30062 -37.1756 5.82995 -22.2121 TIMING: 4572400 CPU: 14457.8, 0.00325933/step Wall: 14457.8, 0.00325933/step, 0.387136 hours remaining, 235.906250 MB of memory in use. ENERGY: 4572400 4016.9057 20477.4779 14510.5339 249.6897 -203356.3260 2643.1081 0.0000 0.0000 52209.9234 -109248.6874 300.0511 -161458.6108 -108885.0731 299.5718 -1.4529 33.4886 760565.1552 -8.6020 -8.7323 PRESSURE: 4572600 -138.202 -131.971 -141.73 -131.971 -607.791 260.499 -141.73 260.498 -55.5317 GPRESSURE: 4572600 -142.838 -111.947 -154.406 -61.7184 -548.825 200.779 -87.644 221.876 -8.76889 PRESSAVG: 4572600 41.4327 24.2361 26.6062 24.2361 -8.8169 -1.88886 26.6061 -1.88888 -12.1625 GPRESSAVG: 4572600 41.6766 22.4626 26.5596 28.5651 -11.1087 -0.779876 27.1409 -2.99221 -10.3326 TIMING: 4572600 CPU: 14458.4, 0.00314888/step Wall: 14458.4, 0.00314888/step, 0.373842 hours remaining, 236.148438 MB of memory in use. ENERGY: 4572600 4020.5803 20565.2257 14544.0022 271.4785 -203174.6885 2507.5572 0.0000 0.0000 52073.6248 -109192.2198 299.2678 -161265.8446 -108816.6539 299.4728 -267.1747 -233.4772 762533.3330 6.8178 6.7451 PRESSURE: 4572800 210.151 110.066 -160.322 110.066 35.0837 -54.4642 -160.321 -54.4638 120.987 GPRESSURE: 4572800 219.086 93.8851 -226.582 103.546 81.4088 -58.5744 -132.242 -19.8013 149.975 PRESSAVG: 4572800 55.1617 -61.9425 -13.7294 -61.9425 -28.3677 56.9229 -13.7294 56.9228 -6.52531 GPRESSAVG: 4572800 54.8681 -60.7954 -15.0702 -63.2632 -27.1538 55.1276 -13.265 58.2528 -7.46543 TIMING: 4572800 CPU: 14459, 0.00315875/step Wall: 14459, 0.00315875/step, 0.374839 hours remaining, 236.214844 MB of memory in use. ENERGY: 4572800 3989.0035 20575.0831 14545.6136 246.0727 -203618.1905 2813.3941 0.0000 0.0000 52308.9435 -109140.0801 300.6202 -161449.0236 -108774.3957 299.6947 122.0742 150.1565 761277.5945 6.7562 6.7496 PRESSURE: 4573000 270.165 89.4438 105.912 89.4436 133.16 -321.458 105.912 -321.457 -150.48 GPRESSURE: 4573000 276.323 36.0227 161.985 169.125 146.695 -236.432 89.5039 -323.016 -73.8814 PRESSAVG: 4573000 11.0356 -45.1503 3.1212 -45.1503 -15.1841 -39.5739 3.12117 -39.5738 15.9166 GPRESSAVG: 4573000 9.86324 -47.3513 4.63247 -44.8358 -14.9792 -37.9867 1.94678 -37.6014 16.9123 TIMING: 4573000 CPU: 14459.6, 0.00315269/step Wall: 14459.6, 0.00315269/step, 0.373944 hours remaining, 236.214844 MB of memory in use. ENERGY: 4573000 3990.2214 20598.4790 14511.6798 254.5505 -203476.2810 2784.8330 0.0000 0.0000 52075.2294 -109261.2878 299.2771 -161336.5173 -108899.0266 299.3879 84.2820 116.3789 759350.3491 3.9227 3.9321 PRESSURE: 4573200 143.52 60.7345 56.1605 60.7336 54.0767 90.512 56.1598 90.5121 -17.045 GPRESSURE: 4573200 249.672 52.7142 -37.4671 85.2353 75.2344 136.209 50.9976 35.5469 -51.6482 PRESSAVG: 4573200 11.3559 -24.2365 -37.7207 -24.2365 -27.5256 4.63898 -37.7207 4.63898 -11.7306 GPRESSAVG: 4573200 11.6329 -24.0664 -38.6353 -24.1387 -26.4351 3.8683 -37.2286 0.89314 -12.5228 TIMING: 4573200 CPU: 14460.3, 0.00317195/step Wall: 14460.3, 0.00317195/step, 0.376052 hours remaining, 236.214844 MB of memory in use. ENERGY: 4573200 4020.7844 20718.5407 14485.3575 239.9862 -203704.3866 2708.9032 0.0000 0.0000 51950.2724 -109580.5423 298.5589 -161530.8146 -109230.8403 299.2612 60.1840 91.0861 761454.4935 -9.3001 -9.1083 PRESSURE: 4573400 185.708 43.5973 -38.8935 43.5972 -241.107 34.532 -38.8926 34.5327 31.0027 GPRESSURE: 4573400 278.275 49.7397 -87.8617 -54.1604 -196.975 7.79351 47.4786 -0.44855 -5.91239 PRESSAVG: 4573400 2.85037 35.9534 24.6168 35.9534 -20.7073 1.43318 24.6169 1.43318 14.8367 GPRESSAVG: 4573400 2.96535 35.8085 25.5553 35.6349 -20.2904 1.55295 26.491 2.84389 14.6088 TIMING: 4573400 CPU: 14460.9, 0.00316422/step Wall: 14460.9, 0.00316422/step, 0.37496 hours remaining, 236.214844 MB of memory in use. ENERGY: 4573400 4051.8277 20364.8820 14580.1906 257.4570 -203766.0247 2848.4319 0.0000 0.0000 51974.1474 -109689.0881 298.6961 -161663.2355 -109328.3506 298.5110 -8.1320 25.1292 762263.8706 -1.0067 -0.9054 PRESSURE: 4573600 216.771 52.5128 -328.103 52.5119 330.856 -51.3816 -328.102 -51.3814 103.805 GPRESSURE: 4573600 305.663 12.6019 -227.308 57.5021 315.112 -80.5429 -355.845 14.3042 127.93 PRESSAVG: 4573600 25.6028 -11.6264 -29.3265 -11.6264 -39.5183 51.5014 -29.3266 51.5014 -12.8732 GPRESSAVG: 4573600 26.296 -9.91711 -29.004 -12.6922 -40.9814 51.4891 -31.7556 49.6986 -12.0299 TIMING: 4573600 CPU: 14461.5, 0.00313775/step Wall: 14461.5, 0.00313775/step, 0.371649 hours remaining, 236.214844 MB of memory in use. ENERGY: 4573600 3965.3550 20480.9917 14520.8090 240.1906 -203789.7009 2723.9408 0.0000 0.0000 52087.6191 -109770.7947 299.3483 -161858.4138 -109406.2499 298.2499 217.1439 249.5686 761547.8031 -8.9296 -8.9051 PRESSURE: 4573800 -242.085 -10.9903 -47.1778 -10.9899 -72.2787 16.2472 -47.1777 16.2471 -67.8652 GPRESSURE: 4573800 -239.33 114.447 -71.4431 -44.3241 -15.4353 -80.1597 -35.9244 27.2644 -40.3753 PRESSAVG: 4573800 25.1879 3.19777 2.6796 3.19779 -3.63934 34.3055 2.67964 34.3055 -14.5616 GPRESSAVG: 4573800 26.9886 2.16056 3.84352 2.22986 -4.28268 34.2292 2.69371 37.2621 -14.7026 TIMING: 4573800 CPU: 14462.2, 0.00315645/step Wall: 14462.2, 0.00315645/step, 0.373688 hours remaining, 236.214844 MB of memory in use. ENERGY: 4573800 4040.3915 20553.9563 14615.6919 261.8630 -203822.6438 2706.3928 0.0000 0.0000 52050.6615 -109593.6870 299.1359 -161644.3485 -109226.8113 298.6893 -127.4096 -98.3803 761159.9113 2.3290 2.6678 PRESSURE: 4574000 -562.288 3.81825 -88.3529 3.81766 -339.795 169.082 -88.352 169.083 -428.47 GPRESSURE: 4574000 -525.639 -8.28622 -113.888 -142.708 -278.287 146.471 -57.5498 244.167 -447.491 PRESSAVG: 4574000 23.4769 -9.28634 -12.6751 -9.28636 -45.0721 -24.5134 -12.6752 -24.5133 -18.0919 GPRESSAVG: 4574000 22.2734 -7.32324 -14.5346 -9.48348 -44.235 -24.587 -10.7221 -25.4516 -17.7873 TIMING: 4574000 CPU: 14462.8, 0.00316933/step Wall: 14462.8, 0.00316933/step, 0.375038 hours remaining, 236.214844 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: 4574000 4081.7443 20509.4940 14537.8924 245.5327 -203387.5638 2341.9874 0.0000 0.0000 52200.9746 -109469.9383 299.9997 -161670.9129 -109109.5736 299.3609 -443.5178 -417.1391 763016.6673 -13.2291 -13.2496 PRESSURE: 4574200 231.738 -1.4333 -119.751 -1.43338 14.8847 -144.441 -119.752 -144.44 -381.756 GPRESSURE: 4574200 186.868 40.3216 -58.517 -29.2964 97.1875 -85.0781 -209.103 -155.198 -332.773 PRESSAVG: 4574200 38.4924 -25.3694 -18.8097 -25.3694 -5.72144 8.51699 -18.8098 8.51692 24.0556 GPRESSAVG: 4574200 39.6613 -24.0075 -17.8313 -25.9423 -6.5378 7.6755 -20.7553 8.7689 23.3221 TIMING: 4574200 CPU: 14463.4, 0.0031615/step Wall: 14463.4, 0.0031615/step, 0.373935 hours remaining, 236.214844 MB of memory in use. ENERGY: 4574200 4116.2400 20341.6892 14466.6442 236.7028 -203770.2676 3079.2169 0.0000 0.0000 51835.6323 -109694.1422 297.9001 -161529.7745 -109346.4714 298.9572 -45.0443 -16.2393 761896.2308 18.9422 18.8152 PRESSURE: 4574400 42.6176 117.286 132.138 117.285 -506.821 265.162 132.138 265.163 57.7519 GPRESSURE: 4574400 -13.0674 209.741 29.9597 18.9418 -400.777 131.821 9.46327 242.35 78.0596 PRESSAVG: 4574400 27.6002 25.6884 -0.354103 25.6883 -51.4582 7.48096 -0.354102 7.48095 5.09898 GPRESSAVG: 4574400 26.8941 22.0952 -0.184641 27.8827 -50.9677 6.84571 -0.347237 6.98117 5.02146 TIMING: 4574400 CPU: 14464.1, 0.00317108/step Wall: 14464.1, 0.00317108/step, 0.374892 hours remaining, 236.214844 MB of memory in use. ENERGY: 4574400 4043.2418 20503.7425 14533.9090 257.7775 -203981.0722 2852.6304 0.0000 0.0000 52126.6089 -109663.1621 299.5723 -161789.7710 -109303.3198 298.9847 -135.4837 -111.9281 760800.5610 -6.2530 -6.3507 PRESSURE: 4574600 180.185 121.984 -205.872 121.985 -47.5592 98.2434 -205.872 98.2425 276.353 GPRESSURE: 4574600 156.533 175.531 -143.7 135.048 6.81133 94.9841 -332.283 144.662 326.494 PRESSAVG: 4574600 -24.4111 -27.3616 -30.8685 -27.3616 68.446 39.1671 -30.8685 39.1671 -2.02963 GPRESSAVG: 4574600 -24.7534 -25.1252 -31.0727 -28.752 68.9876 40.3618 -31.1419 40.9282 -2.18922 TIMING: 4574600 CPU: 14464.7, 0.00318309/step Wall: 14464.7, 0.00318309/step, 0.376135 hours remaining, 236.214844 MB of memory in use. ENERGY: 4574600 4009.3405 20384.0146 14462.7513 241.1146 -203611.2167 2818.4769 0.0000 0.0000 52084.8822 -109610.6366 299.3325 -161695.5188 -109250.5175 298.5302 136.3262 163.2795 761682.5209 14.0018 14.0150 PRESSURE: 4574800 56.1257 283.418 -75.536 283.418 -60.0476 147.902 -75.5364 147.902 0.393398 GPRESSURE: 4574800 -27.4389 202.27 -50.1207 165.322 80.0652 216.073 -124.361 14.6291 34.9855 PRESSAVG: 4574800 -8.92529 -47.2203 -34.8526 -47.2204 -33.5743 -32.9263 -34.8526 -32.9263 -8.13893 GPRESSAVG: 4574800 -9.28685 -47.0237 -37.5843 -47.7744 -34.8009 -32.9993 -32.6078 -32.8621 -6.50425 TIMING: 4574800 CPU: 14465.3, 0.00316258/step Wall: 14465.3, 0.00316258/step, 0.373536 hours remaining, 236.214844 MB of memory in use. ENERGY: 4574800 4027.9539 20385.0537 14559.2573 248.4003 -203430.2489 2610.3309 0.0000 0.0000 52025.1451 -109574.1077 298.9892 -161599.2528 -109212.6072 298.8989 -1.1762 29.2040 761474.3158 -16.8795 -16.8640 PRESSURE: 4575000 248.459 169.827 -132.691 169.827 -150.694 -188.634 -132.691 -188.633 26.7745 GPRESSURE: 4575000 247.529 83.6682 -26.5928 240.413 -57.0144 -225.513 -135.177 -131.223 28.2636 PRESSAVG: 4575000 6.57876 -67.1202 4.10819 -67.1202 -18.0374 -30.1107 4.10823 -30.1107 23.215 GPRESSAVG: 4575000 7.25094 -68.4413 5.0652 -64.0393 -16.8954 -30.0815 3.24039 -31.9756 21.4253 TIMING: 4575000 CPU: 14466, 0.00315626/step Wall: 14466, 0.00315626/step, 0.372614 hours remaining, 236.214844 MB of memory in use. ENERGY: 4575000 4005.0409 20303.8199 14491.6538 245.2256 -203698.4250 2864.4554 0.0000 0.0000 52056.2434 -109731.9860 299.1679 -161788.2294 -109380.9906 299.1273 41.5132 72.9262 760445.6941 3.9188 3.9269 PRESSURE: 4575200 -171.325 115.636 -48.3379 115.635 16.0037 -266.37 -48.3374 -266.37 -59.574 GPRESSURE: 4575200 -146.078 -29.0737 -94.7362 34.1932 40.1112 -291.232 16.2858 -166.023 -10.9551 PRESSAVG: 4575200 3.16989 -62.9647 -26.6984 -62.9647 3.69455 -29.2553 -26.6984 -29.2554 21.957 GPRESSAVG: 4575200 4.57885 -64.4576 -26.3227 -63.5351 1.7431 -30.0212 -28.148 -29.2992 23.0065 TIMING: 4575200 CPU: 14466.6, 0.00317206/step Wall: 14466.6, 0.00317206/step, 0.374303 hours remaining, 236.214844 MB of memory in use. ENERGY: 4575200 3977.7703 20376.1133 14488.8222 238.3366 -203685.7705 2969.6673 0.0000 0.0000 51832.2909 -109802.7699 297.8809 -161635.0608 -109449.2300 298.1708 -71.6319 -38.9740 761039.8429 9.6071 9.7762 PRESSURE: 4575400 219.396 -26.9834 -20.4303 -26.9842 -151.054 5.00568 -20.4299 5.00436 -184.981 GPRESSURE: 4575400 214.731 21.307 55.0634 63.5348 -94.7278 7.27855 -119.425 -106.013 -160.212 PRESSAVG: 4575400 -8.78793 -5.05057 37.0192 -5.05056 -18.9821 29.9238 37.0192 29.9238 -5.0355 GPRESSAVG: 4575400 -8.75027 -4.67693 37.8754 -7.66737 -17.895 31.8219 38.0187 27.7122 -5.72375 TIMING: 4575400 CPU: 14467.2, 0.00315241/step Wall: 14467.2, 0.00315241/step, 0.371809 hours remaining, 236.214844 MB of memory in use. ENERGY: 4575400 3951.2664 20459.1864 14526.8405 238.5089 -203687.8984 2822.4090 0.0000 0.0000 51773.4019 -109916.2855 297.5425 -161689.6874 -109556.3784 298.2279 -38.8798 -13.4031 761812.1915 -10.9352 -10.7897 PRESSURE: 4575600 -147.121 -74.6651 -65.9917 -74.665 182.435 113.911 -65.9922 113.912 5.87829 GPRESSURE: 4575600 -71.8076 -63.6025 -114.57 27.4265 195.449 58.0665 17.1916 93.9762 13.4652 PRESSAVG: 4575600 17.2954 -12.65 -22.7345 -12.65 -0.672591 13.6632 -22.7345 13.6633 8.66658 GPRESSAVG: 4575600 16.3001 -11.1266 -22.3798 -10.6949 -0.800668 12.4406 -21.5484 15.0766 9.53793 TIMING: 4575600 CPU: 14467.9, 0.00312518/step Wall: 14467.9, 0.00312518/step, 0.368424 hours remaining, 236.214844 MB of memory in use. ENERGY: 4575600 3938.7786 20363.0676 14536.4200 244.8726 -203825.5035 2863.4903 0.0000 0.0000 52062.7352 -109816.1393 299.2053 -161878.8745 -109448.7752 298.0314 13.7306 45.7021 762177.4933 8.4298 8.3458 PRESSURE: 4575800 157.207 -42.0877 -40.0252 -42.0871 -263.225 -140.563 -40.0252 -140.565 -187.309 GPRESSURE: 4575800 185.452 -162.782 -13.1597 -27.3718 -222.391 -47.2265 -34.4302 -15.4812 -187.257 PRESSAVG: 4575800 30.0916 16.252 -16.3657 16.252 -55.4082 -15.9826 -16.3657 -15.9827 11.1276 GPRESSAVG: 4575800 29.6643 15.3056 -18.099 15.7328 -54.0731 -15.0802 -19.1686 -16.817 10.7339 TIMING: 4575800 CPU: 14468.5, 0.00315771/step Wall: 14468.5, 0.00315771/step, 0.372083 hours remaining, 236.214844 MB of memory in use. ENERGY: 4575800 3980.6054 20417.7525 14468.4475 253.9693 -203422.7154 2626.8654 0.0000 0.0000 51724.7267 -109950.3485 297.2627 -161675.0753 -109588.6972 298.4956 -97.7760 -74.7321 764398.1445 -4.7296 -4.5583 PRESSURE: 4576000 -618.6 -221.871 -192.726 -221.871 -349.5 -3.71115 -192.726 -3.71174 131.02 GPRESSURE: 4576000 -530.721 -98.7262 -183.205 -144.875 -323.323 -48.9985 -145.397 75.0401 82.1017 PRESSAVG: 4576000 70.928 2.02046 -12.1281 2.02047 19.3428 18.8284 -12.128 18.8284 -4.26859 GPRESSAVG: 4576000 72.4388 3.54545 -12.8106 2.1917 18.7526 18.9891 -11.8034 20.1483 -5.16573 TIMING: 4576000 CPU: 14469.1, 0.00316676/step Wall: 14469.1, 0.00316676/step, 0.372974 hours remaining, 236.214844 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: 4576000 3955.1819 20441.1075 14499.3140 224.2737 -203399.3712 2688.7660 0.0000 0.0000 51751.6763 -109839.0519 297.4176 -161590.7281 -109481.3988 297.7016 -279.0264 -257.3142 763972.9037 28.6674 28.6752 PRESSURE: 4576200 125.802 122.943 -133.849 122.943 46.6001 267.512 -133.849 267.513 179.745 GPRESSURE: 4576200 87.5072 110.938 -150.616 108.963 100.199 268.226 -12.6466 276.119 268.534 PRESSAVG: 4576200 -3.5625 -14.4099 -13.6629 -14.4099 65.9353 7.40867 -13.663 7.40863 36.0503 GPRESSAVG: 4576200 -5.10214 -14.2365 -13.993 -14.3923 66.9589 7.24982 -9.52091 9.08097 37.4507 TIMING: 4576200 CPU: 14469.8, 0.00313254/step Wall: 14469.8, 0.00313254/step, 0.36877 hours remaining, 236.214844 MB of memory in use. ENERGY: 4576200 3871.9528 20254.6347 14489.3011 245.0164 -203524.0888 2814.6994 0.0000 0.0000 52058.7083 -109789.7761 299.1821 -161848.4844 -109419.6386 298.2429 117.3823 152.0800 761716.8393 32.8077 33.1025 LDB: ============= START OF LOAD BALANCING ============== 14482.3 LDB: ============== END OF LOAD BALANCING =============== 14482.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14482.3 LDB: ============= START OF LOAD BALANCING ============== 14482.6 LDB: Largest compute 7078 load 0.038288 is 19.6% of average load 0.195587 LDB: Average compute 0.004392 is 2.2% of average load 0.195587 LDB: TIME 14482.6 LOAD: AVG 0.195587 MAX 0.21574 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 14482.6 LOAD: AVG 0.195587 MAX 0.21574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: TIME 14482.6 LOAD: AVG 0.195587 MAX 0.21574 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.492 MB LDB: ============== END OF LOAD BALANCING =============== 14482.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14482.6 PRESSURE: 4576400 -157.764 225.828 141.427 225.828 -45.3636 -8.60547 141.427 -8.60568 -166.088 GPRESSURE: 4576400 -170.478 162.207 184.505 123.043 -1.47205 -46.049 39.9584 13.4582 -117.377 PRESSAVG: 4576400 23.1473 5.18147 -13.516 5.18143 -25.6537 33.8827 -13.516 33.8827 -22.1614 GPRESSAVG: 4576400 22.7289 3.32279 -9.81474 5.98782 -25.3468 34.2412 -17.2656 29.457 -22.282 TIMING: 4576400 CPU: 14470.4, 0.00324668/step Wall: 14470.4, 0.00324668/step, 0.382026 hours remaining, 236.425781 MB of memory in use. ENERGY: 4576400 3852.6394 20292.9427 14426.7591 259.8765 -203205.8339 2378.6509 0.0000 0.0000 52270.4192 -109724.5462 300.3988 -161994.9653 -109360.7462 298.5428 -123.0717 -96.4426 762534.5856 -8.2226 -8.3000 PRESSURE: 4576600 -44.3798 -87.893 38.7649 -87.8924 -152.666 32.0317 38.7649 32.0326 -37.7416 GPRESSURE: 4576600 14.7783 -84.8247 -50.5589 -68.4465 -168.068 -77.4279 80.9786 66.6347 6.27036 PRESSAVG: 4576600 43.5723 38.4671 44.904 38.4672 -38.2458 -17.1939 44.904 -17.1939 -6.91295 GPRESSAVG: 4576600 45.021 38.4889 41.9759 38.3779 -40.1541 -16.702 46.2565 -15.3816 -6.70574 TIMING: 4576600 CPU: 14471, 0.00315132/step Wall: 14471, 0.00315133/step, 0.370631 hours remaining, 236.464844 MB of memory in use. ENERGY: 4576600 3994.9378 20364.8107 14540.0489 234.9429 -203318.8661 2632.2425 0.0000 0.0000 51879.5467 -109672.3366 298.1525 -161551.8833 -109310.6278 298.2741 -78.2624 -49.0064 764234.2227 -0.5288 -0.6130 PRESSURE: 4576800 85.6903 -1.32486 -3.09649 -1.32487 -84.8011 68.9807 -3.09654 68.9817 -70.5276 GPRESSURE: 4576800 66.0143 -4.68488 -6.19459 63.8579 26.8345 4.93939 -15.5951 -24.6142 -96.3582 PRESSAVG: 4576800 34.1508 -1.3269 16.8021 -1.32687 -3.60177 -16.0483 16.8021 -16.0484 -8.63398 GPRESSAVG: 4576800 33.6515 -1.62375 18.5075 -0.407432 -2.99064 -17.5694 16.9018 -14.8481 -8.78526 TIMING: 4576800 CPU: 14471.7, 0.00313705/step Wall: 14471.7, 0.00313705/step, 0.368777 hours remaining, 236.464844 MB of memory in use. ENERGY: 4576800 4003.3134 20404.5043 14536.1804 231.0135 -203285.7685 2621.4961 0.0000 0.0000 51993.1220 -109496.1387 298.8052 -161489.2607 -109138.7301 298.3844 -23.2128 -1.1698 764143.9776 7.3050 7.2919 PRESSURE: 4577000 -52.349 246.297 8.85673 246.296 73.695 -3.72033 8.85679 -3.72002 58.9183 GPRESSURE: 4577000 47.8722 284.513 -23.967 201.146 90.1879 25.742 25.234 86.8598 20.4001 PRESSAVG: 4577000 27.0897 -31.028 8.00772 -31.028 -31.0901 -3.06685 8.00774 -3.06678 -13.4291 GPRESSAVG: 4577000 26.9735 -30.8173 6.38575 -30.6789 -30.9646 -2.97439 7.83778 -3.19029 -13.6585 TIMING: 4577000 CPU: 14472.3, 0.00313655/step Wall: 14472.3, 0.00313654/step, 0.368544 hours remaining, 236.609375 MB of memory in use. ENERGY: 4577000 3931.7230 20402.5522 14558.9178 250.2561 -203516.0014 2764.0708 0.0000 0.0000 52094.0184 -109514.4630 299.3850 -161608.4815 -109153.7188 298.7536 26.7547 52.8201 763738.9082 -5.8098 -5.8832 PRESSURE: 4577200 73.8096 -156.755 -113.186 -156.755 -216.217 -86.9011 -113.186 -86.9006 277.713 GPRESSURE: 4577200 119.974 -174.118 -58.23 -198.682 -125.534 -6.0778 -102.262 -79.4717 222.403 PRESSAVG: 4577200 30.462 -10.1338 4.44981 -10.1338 -17.0495 -34.1108 4.44984 -34.1108 -13.8765 GPRESSAVG: 4577200 30.5735 -8.98966 5.55351 -10.1529 -16.4843 -32.8302 4.3466 -34.4713 -14.3386 TIMING: 4577200 CPU: 14472.9, 0.00313167/step Wall: 14472.9, 0.00313167/step, 0.367797 hours remaining, 236.609375 MB of memory in use. ENERGY: 4577200 3896.2750 20450.7514 14524.2922 227.8177 -203566.4276 2861.7625 0.0000 0.0000 52094.3637 -109511.1651 299.3870 -161605.5288 -109150.7737 298.8038 45.1019 72.2811 764301.4040 -0.1547 -0.0831 PRESSURE: 4577400 67.1087 -155.201 -38.7068 -155.201 -352.308 155.06 -38.7069 155.061 141.792 GPRESSURE: 4577400 105.307 -248.94 16.9717 -136.909 -295.362 197.061 -67.0026 91.6141 126.731 PRESSAVG: 4577400 4.63583 -10.752 34.341 -10.752 4.10808 46.1338 34.341 46.1337 -1.2392 GPRESSAVG: 4577400 4.13751 -11.6062 33.3672 -10.014 3.50489 46.1681 36.0786 47.7955 -0.387136 TIMING: 4577400 CPU: 14473.5, 0.0031471/step Wall: 14473.5, 0.0031471/step, 0.369435 hours remaining, 236.609375 MB of memory in use. ENERGY: 4577400 3913.1248 20470.0777 14486.3156 234.3305 -203206.3381 2711.9533 0.0000 0.0000 51782.2563 -109608.2798 297.5933 -161390.5361 -109249.1055 298.8314 -47.8024 -21.1079 763433.0094 2.5016 2.4184 PRESSURE: 4577600 -275.099 15.1745 57.8989 15.1737 -209.671 166.391 57.8988 166.391 -317.291 GPRESSURE: 4577600 -292.891 -6.22429 -13.511 53.299 -185.968 196.241 1.56867 234.949 -245.056 PRESSAVG: 4577600 18.3747 -10.7396 -0.221068 -10.7397 10.1795 52.0237 -0.221024 52.0238 0.897004 GPRESSAVG: 4577600 19.0251 -10.0759 0.403492 -9.45175 11.3896 50.0548 -0.453504 51.1052 -0.699559 TIMING: 4577600 CPU: 14474.2, 0.0031567/step Wall: 14474.2, 0.0031567/step, 0.370386 hours remaining, 236.609375 MB of memory in use. ENERGY: 4577600 4004.5197 20425.0601 14423.2350 243.3413 -203431.4737 2597.1054 0.0000 0.0000 52174.1733 -109564.0390 299.8457 -161738.2123 -109202.8799 298.8119 -267.3536 -241.3051 762411.8916 9.8171 9.9050 PRESSURE: 4577800 -136.947 -127.9 -23.1895 -127.9 -195.267 -180.108 -23.1901 -180.108 -620.695 GPRESSURE: 4577800 -88.1621 9.86803 -26.3032 -132.602 -207.382 -169.29 23.2913 -172.423 -602.948 PRESSAVG: 4577800 -10.2643 23.9894 -14.5928 23.9894 -43.142 40.4941 -14.5928 40.4942 11.4315 GPRESSAVG: 4577800 -12.0203 27.056 -12.7556 21.4829 -43.5089 41.8514 -17.5384 41.2462 13.2303 TIMING: 4577800 CPU: 14474.8, 0.00317861/step Wall: 14474.8, 0.00317861/step, 0.37278 hours remaining, 236.609375 MB of memory in use. ENERGY: 4577800 3997.9636 20542.1613 14470.9280 238.6064 -203446.7374 2585.4714 0.0000 0.0000 52033.8732 -109577.7335 299.0394 -161611.6067 -109216.7657 298.4731 -317.6365 -299.4973 763597.2247 -13.9916 -14.0996 PRESSURE: 4578000 -371.948 103.385 -48.4791 103.386 -8.9088 134.701 -48.4782 134.701 562.141 GPRESSURE: 4578000 -217.13 -19.3265 -14.4627 -2.48944 18.0403 29.355 50.718 58.5655 465.956 PRESSAVG: 4578000 -21.2614 4.34026 6.16348 4.34023 11.4892 -21.3399 6.16344 -21.3399 -25.811 GPRESSAVG: 4578000 -19.9058 2.91104 5.5111 3.43267 11.076 -21.8604 6.98394 -22.6174 -26.3832 TIMING: 4578000 CPU: 14475.4, 0.0031862/step Wall: 14475.4, 0.0031862/step, 0.373493 hours remaining, 236.609375 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: 4578000 3911.4102 20581.9244 14391.1903 253.1275 -203721.0337 2939.3192 0.0000 0.0000 52001.2822 -109642.7800 298.8521 -161644.0622 -109278.4865 298.6600 60.4282 88.9555 764153.8272 -11.8610 -11.7377 PRESSURE: 4578200 -153.226 -125.258 -174.776 -125.259 44.2497 110.289 -174.776 110.288 49.3499 GPRESSURE: 4578200 -207.924 -209.227 -202.675 -108.199 103.165 225.256 -196.225 -22.3288 122.583 PRESSAVG: 4578200 20.0881 -2.56081 5.1407 -2.56081 -22.9038 -14.9211 5.14075 -14.9211 -7.74513 GPRESSAVG: 4578200 22.254 -3.46851 4.40537 -2.61045 -23.7195 -16.3266 4.84012 -13.9935 -8.7474 TIMING: 4578200 CPU: 14476.1, 0.00317358/step Wall: 14476.1, 0.00317358/step, 0.371838 hours remaining, 236.609375 MB of memory in use. ENERGY: 4578200 3960.2434 20466.8416 14520.6545 242.8334 -203083.0346 2472.0454 0.0000 0.0000 51949.7279 -109470.6884 298.5558 -161420.4163 -109113.6614 298.5219 -19.8753 5.9415 763229.4772 -3.5203 -3.4043 PRESSURE: 4578400 -271.568 -24.2641 -117.451 -24.2648 120.422 45.189 -117.451 45.1882 103.478 GPRESSURE: 4578400 -227.718 65.5671 -149.852 -60.8472 103.395 56.1402 -136.697 77.8995 168.156 PRESSAVG: 4578400 20.4987 -16.3414 -27.6073 -16.3414 -27.1072 3.2048 -27.6074 3.20483 -5.23582 GPRESSAVG: 4578400 19.7335 -16.162 -29.1102 -16.5044 -27.7499 5.47245 -27.8568 0.59084 -3.88177 TIMING: 4578400 CPU: 14476.7, 0.00316003/step Wall: 14476.7, 0.00316003/step, 0.370074 hours remaining, 236.609375 MB of memory in use. ENERGY: 4578400 3902.0560 20507.6908 14526.0401 264.0833 -203367.3083 2766.2564 0.0000 0.0000 51995.6522 -109405.5296 298.8197 -161401.1818 -109040.9545 299.1773 -15.8895 14.6108 762394.0478 -3.9481 -3.9661 PRESSURE: 4578600 44.3358 145.885 -135.087 145.885 155.673 70.7861 -135.086 70.7855 117.175 GPRESSURE: 4578600 89.5425 81.3114 -126.873 177.389 194.255 59.9536 -32.2704 216.948 101.398 PRESSAVG: 4578600 20.2045 -54.9697 6.76416 -54.9697 -3.27927 25.5861 6.76426 25.5861 0.951011 GPRESSAVG: 4578600 20.1051 -56.219 8.94093 -52.7023 -2.73617 24.9341 6.48011 28.6468 0.380569 TIMING: 4578600 CPU: 14477.3, 0.00317913/step Wall: 14477.3, 0.00317913/step, 0.372134 hours remaining, 236.609375 MB of memory in use. ENERGY: 4578600 3996.5142 20621.0601 14468.1466 253.2882 -203643.1083 2736.2304 0.0000 0.0000 51960.4966 -109607.3722 298.6177 -161567.8688 -109244.1599 298.9988 105.7278 128.3987 761276.5130 5.9587 5.9165 PRESSURE: 4578800 -195.421 -177.312 -47.5619 -177.312 -189.494 116.818 -47.5619 116.817 -314.909 GPRESSURE: 4578800 -105.551 -175.993 -7.99968 -351.555 -92.563 142.404 -90.4374 20.9313 -392.746 PRESSAVG: 4578800 26.6138 -18.4642 40.9422 -18.4641 -40.0701 38.5832 40.9422 38.5832 8.40971 GPRESSAVG: 4578800 25.9122 -19.5205 42.5443 -17.8198 -39.3395 38.1015 40.7688 39.2009 8.22015 TIMING: 4578800 CPU: 14478, 0.00318963/step Wall: 14478, 0.00318963/step, 0.373187 hours remaining, 236.609375 MB of memory in use. ENERGY: 4578800 4057.8552 20486.1320 14430.8133 253.0679 -202897.9836 2207.1045 0.0000 0.0000 51962.1487 -109500.8620 298.6272 -161463.0107 -109151.1629 299.0872 -233.2750 -196.9535 762642.9065 -1.6822 -1.7357 PRESSURE: 4579000 -128.722 -156.939 231.582 -156.939 14.3708 -54.8104 231.581 -54.8099 -152.435 GPRESSURE: 4579000 -89.7481 -50.7811 259.727 -29.4039 99.9706 -131.148 160.902 -151.185 -175.781 PRESSAVG: 4579000 26.7359 -29.8956 20.7172 -29.8956 -24.9369 -15.3959 20.7172 -15.3959 -13.9314 GPRESSAVG: 4579000 27.7111 -27.0947 19.5812 -31.9524 -25.0038 -14.2972 20.5166 -16.2762 -14.9254 TIMING: 4579000 CPU: 14478.6, 0.00316531/step Wall: 14478.6, 0.00316531/step, 0.370166 hours remaining, 236.609375 MB of memory in use. ENERGY: 4579000 3960.9825 20445.2915 14517.5038 245.4288 -203223.0957 2349.0643 0.0000 0.0000 52180.0290 -109524.7959 299.8793 -161704.8249 -109153.7124 299.1111 -88.9287 -55.1863 761044.9672 -4.0441 -4.0727 PRESSURE: 4579200 -112.313 -52.6013 331.785 -52.6017 137.653 157.621 331.785 157.621 -347.524 GPRESSURE: 4579200 -70.7574 57.2819 177.288 -158.556 190.002 196.097 394.083 147.587 -361.801 PRESSAVG: 4579200 -9.4317 -41.3153 2.43863 -41.3153 32.444 -14.6099 2.43862 -14.61 -19.3277 GPRESSAVG: 4579200 -10.2821 -41.7107 0.464027 -39.3767 32.2481 -16.6727 1.87094 -12.8595 -17.9882 TIMING: 4579200 CPU: 14479.2, 0.00315129/step Wall: 14479.2, 0.00315129/step, 0.368351 hours remaining, 236.679688 MB of memory in use. ENERGY: 4579200 3978.7760 20644.0824 14508.3226 241.8920 -203281.3629 2465.6210 0.0000 0.0000 51813.6092 -109629.0596 297.7735 -161442.6688 -109273.8462 299.0683 -107.3949 -80.8520 762660.5503 1.2282 1.3260 PRESSURE: 4579400 191.059 -33.3606 -214.108 -33.3605 -67.0506 -159.456 -214.108 -159.455 120.12 GPRESSURE: 4579400 258.812 -119.815 -215.214 -81.9294 -56.2473 -60.943 -165.222 -21.6544 130.781 PRESSAVG: 4579400 18.8809 -32.0619 25.8354 -32.0619 36.9268 8.50777 25.8354 8.50786 19.9649 GPRESSAVG: 4579400 18.2635 -32.1719 27.0829 -33.2203 36.7822 10.5858 27.1235 5.97087 20.7801 TIMING: 4579400 CPU: 14479.9, 0.00315413/step Wall: 14479.9, 0.00315413/step, 0.368507 hours remaining, 236.679688 MB of memory in use. ENERGY: 4579400 4069.6506 20362.1868 14481.9249 250.3335 -203788.6248 2842.9889 0.0000 0.0000 52046.5789 -109734.9612 299.1124 -161781.5401 -109369.9542 298.6388 81.3762 111.1150 762626.3930 25.2575 25.2753 PRESSURE: 4579600 -276.22 -35.8997 170.603 -35.8995 -81.969 -99.3223 170.603 -99.3219 85.2178 GPRESSURE: 4579600 -242.977 67.7728 199.82 84.5156 -0.7888 -134.49 245.298 -38.3939 71.2082 PRESSAVG: 4579600 -31.0179 -66.4453 23.1793 -66.4453 49.3209 19.1433 23.1793 19.1434 -9.06269 GPRESSAVG: 4579600 -30.3302 -65.7024 22.7183 -65.2626 49.3327 19.4734 23.0465 21.8138 -9.56238 TIMING: 4579600 CPU: 14480.5, 0.00315005/step Wall: 14480.5, 0.00315005/step, 0.367856 hours remaining, 236.679688 MB of memory in use. ENERGY: 4579600 3950.9575 20601.3655 14464.8766 248.8554 -203421.1068 2594.0898 0.0000 0.0000 52055.5627 -109505.3993 299.1640 -161560.9621 -109140.7737 299.0053 -90.9904 -57.5192 761065.4214 3.0801 3.1467 PRESSURE: 4579800 366.684 73.2411 -134.306 73.2397 -127.816 129.494 -134.308 129.495 -68.5443 GPRESSURE: 4579800 302.062 130.247 -206.946 12.6034 -44.3212 188.297 -46.3046 40.6349 -15.2909 PRESSAVG: 4579800 -17.6067 -27.9558 -10.5721 -27.9558 45.4938 24.0874 -10.5722 24.0874 -1.57436 GPRESSAVG: 4579800 -17.5038 -28.5825 -9.46082 -26.6071 45.6016 23.5637 -10.5873 22.7621 -2.17139 TIMING: 4579800 CPU: 14481.1, 0.00314876/step Wall: 14481.1, 0.00314876/step, 0.36753 hours remaining, 236.679688 MB of memory in use. ENERGY: 4579800 4047.6431 20675.5386 14484.8634 248.6448 -203722.5647 2802.0576 0.0000 0.0000 51728.7726 -109735.0445 297.2860 -161463.8171 -109373.1591 298.9865 56.7746 80.8168 760130.3453 8.7709 8.6421 PRESSURE: 4580000 -440.663 -171.798 -58.1782 -171.798 -140.825 -129.861 -58.179 -129.862 -451.195 GPRESSURE: 4580000 -399.995 -210.514 -76.3881 -160.861 -129.391 -110.685 -89.6952 -101.37 -422.398 PRESSAVG: 4580000 -35.2292 -24.5805 -64.7015 -24.5804 64.2204 35.9685 -64.7015 35.9685 8.86499 GPRESSAVG: 4580000 -35.4679 -24.6038 -66.3608 -24.8745 65.2603 35.6124 -64.8776 37.2898 7.62033 TIMING: 4580000 CPU: 14481.8, 0.00316706/step Wall: 14481.8, 0.00316706/step, 0.36949 hours remaining, 236.679688 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: 4580000 4043.0530 20452.9075 14445.8533 243.0313 -203271.2222 2454.6083 0.0000 0.0000 52055.9181 -109575.8507 299.1661 -161631.7688 -109208.2262 298.7035 -344.2277 -317.2614 761025.9413 12.6187 12.4709 PRESSURE: 4580200 149.704 54.7137 104.211 54.7145 184.041 36.0415 104.21 36.0404 -231.401 GPRESSURE: 4580200 70.5275 39.8439 76.6035 35.7372 337.238 129.242 126.398 -95.9927 -217.774 PRESSAVG: 4580200 -32.5312 -38.3692 -40.1952 -38.3692 19.6377 41.791 -40.1953 41.791 -8.5931 GPRESSAVG: 4580200 -32.0222 -37.3601 -40.2029 -39.9755 17.6257 41.4968 -37.4617 40.9373 -6.98426 TIMING: 4580200 CPU: 14482.4, 0.00316713/step Wall: 14482.4, 0.00316713/step, 0.369322 hours remaining, 236.679688 MB of memory in use. ENERGY: 4580200 3989.4640 20678.3742 14484.3549 259.2483 -203381.4999 2690.7148 0.0000 0.0000 51702.6209 -109576.7228 297.1357 -161279.3437 -109218.7568 298.5170 34.1148 63.3302 761573.6166 -7.1622 -7.1269 LDB: ============= START OF LOAD BALANCING ============== 14494.9 LDB: ============== END OF LOAD BALANCING =============== 14494.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14494.9 LDB: ============= START OF LOAD BALANCING ============== 14495.3 LDB: Largest compute 7078 load 0.033262 is 17.0% of average load 0.195636 LDB: Average compute 0.004395 is 2.2% of average load 0.195636 LDB: TIME 14495.3 LOAD: AVG 0.195636 MAX 0.21581 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.637 MB LDB: TIME 14495.3 LOAD: AVG 0.195636 MAX 0.21581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.637 MB LDB: TIME 14495.3 LOAD: AVG 0.195636 MAX 0.21581 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.637 MB LDB: ============== END OF LOAD BALANCING =============== 14495.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14495.3 Info: useSync: 0 useProxySync: 0 PRESSURE: 4580400 260.734 -195.842 -24.7239 -195.842 69.8113 92.3536 -24.7243 92.354 -81.8485 GPRESSURE: 4580400 281.052 -244.486 1.22521 -68.3484 126.901 77.6683 3.27748 45.7204 -63.0061 PRESSAVG: 4580400 -45.2156 -67.5818 -12.5448 -67.5819 38.9063 59.8151 -12.5447 59.8151 13.1181 GPRESSAVG: 4580400 -45.9999 -69.3396 -11.2382 -67.594 40.2439 58.8864 -16.0627 59.9338 12.4966 TIMING: 4580400 CPU: 14483, 0.00321217/step Wall: 14483, 0.00321217/step, 0.374397 hours remaining, 235.394531 MB of memory in use. ENERGY: 4580400 3980.0328 20504.5436 14494.1355 247.4414 -203736.9366 2986.2783 0.0000 0.0000 51846.3424 -109678.1625 297.9616 -161524.5049 -109315.1401 298.9455 82.8988 114.9824 760821.8691 2.2696 2.2469 PRESSURE: 4580600 -150.815 -80.064 191.299 -80.0641 -460.983 -48.539 191.298 -48.5376 -70.8141 GPRESSURE: 4580600 -131.908 -10.4285 210.891 -27.9576 -425.549 -45.2307 169.983 13.4829 -34.2402 PRESSAVG: 4580600 24.9549 -39.476 -19.5157 -39.476 -37.7134 26.4181 -19.5157 26.4181 -0.0447239 GPRESSAVG: 4580600 24.2652 -36.2086 -19.7659 -40.7148 -37.2763 28.6246 -18.9667 24.7376 0.40571 TIMING: 4580600 CPU: 14483.7, 0.00315251/step Wall: 14483.7, 0.00315251/step, 0.367268 hours remaining, 235.394531 MB of memory in use. ENERGY: 4580600 3988.5023 20577.1942 14479.2162 250.3137 -203526.3004 2568.1435 0.0000 0.0000 52081.6024 -109581.3280 299.3137 -161662.9305 -109228.7960 299.1669 -227.5376 -197.2324 761736.2702 -4.2677 -4.2018 PRESSURE: 4580800 -19.9935 20.8043 -109.404 20.8042 97.3549 -76.8676 -109.404 -76.8667 -215.1 GPRESSURE: 4580800 5.05189 16.0074 -130.481 71.197 203.375 -45.7965 -185.653 -31.7407 -256.424 PRESSAVG: 4580800 -19.5168 -63.6279 -13.4746 -63.628 1.38916 -31.8684 -13.4746 -31.8683 13.6465 GPRESSAVG: 4580800 -18.2203 -68.3725 -14.4004 -60.7323 1.23248 -34.0539 -12.8106 -29.7334 13.0623 TIMING: 4580800 CPU: 14484.3, 0.00317867/step Wall: 14484.3, 0.00317867/step, 0.370138 hours remaining, 235.394531 MB of memory in use. ENERGY: 4580800 4024.5405 20495.3427 14500.0447 228.5411 -203902.2287 2938.4286 0.0000 0.0000 52071.8717 -109643.4595 299.2578 -161715.3312 -109279.6960 298.9430 -45.9128 -15.9987 760982.9628 -1.4937 -1.3085 PRESSURE: 4581000 -16.7351 124.442 -137.592 124.443 58.7226 -146.62 -137.593 -146.62 560.684 GPRESSURE: 4581000 120.328 6.98548 -140.866 59.2523 65.3573 -182.22 14.9256 -243.865 493.563 PRESSAVG: 4581000 -10.8641 -39.6788 7.63612 -39.6788 30.3409 -51.5631 7.63607 -51.5632 15.137 GPRESSAVG: 4581000 -11.8577 -36.9103 8.62359 -41.6295 29.8766 -50.4925 7.42317 -53.1857 16.259 TIMING: 4581000 CPU: 14484.9, 0.00315335/step Wall: 14484.9, 0.00315335/step, 0.367015 hours remaining, 235.394531 MB of memory in use. ENERGY: 4581000 3920.9409 20604.6021 14533.8179 236.6986 -203699.2713 2801.3611 0.0000 0.0000 51875.5984 -109726.2523 298.1298 -161601.8508 -109369.8003 298.8356 200.8905 226.4160 760692.6665 11.5380 11.4260 PRESSURE: 4581200 -57.5519 -122.714 89.238 -122.714 248.999 148.666 89.2379 148.667 235.567 GPRESSURE: 4581200 -42.8982 -102.517 -35.0285 -118.044 328.371 236.752 107.182 83.3915 243.614 PRESSAVG: 4581200 -67.184 -35.8247 -49.6447 -35.8247 20.1332 60.6887 -49.6447 60.6887 4.20964 GPRESSAVG: 4581200 -66.7576 -36.2352 -49.8114 -34.8708 20.1471 59.3881 -50.6424 60.609 3.79085 TIMING: 4581200 CPU: 14485.6, 0.00312333/step Wall: 14485.6, 0.00312333/step, 0.363348 hours remaining, 235.394531 MB of memory in use. ENERGY: 4581200 3907.6768 20229.9950 14440.5402 230.5590 -203235.1878 2605.5556 0.0000 0.0000 51975.9024 -109844.9589 298.7062 -161820.8613 -109477.9520 298.6201 142.3377 176.3622 762090.9513 -14.2804 -14.2732 PRESSURE: 4581400 -174.357 -179.695 -190.692 -179.695 -467.674 -283.137 -190.692 -283.137 116.084 GPRESSURE: 4581400 -104.687 -45.9501 -173.831 -102.966 -400.841 -253.034 -70.3939 -283.152 64.1807 PRESSAVG: 4581400 -40.3199 -18.9672 -10.2768 -18.9672 44.6567 -12.6069 -10.2768 -12.6069 -16.6159 GPRESSAVG: 4581400 -38.7755 -19.9193 -10.5062 -17.4613 43.724 -11.8487 -9.00193 -12.504 -17.2584 TIMING: 4581400 CPU: 14486.2, 0.00313288/step Wall: 14486.2, 0.00313288/step, 0.364284 hours remaining, 235.394531 MB of memory in use. ENERGY: 4581400 3946.2153 20467.8472 14533.5171 233.2841 -203207.6461 2292.1630 0.0000 0.0000 52230.0578 -109504.5616 300.1669 -161734.6194 -109139.0460 298.9318 -175.3156 -147.1158 759726.8781 -4.0930 -4.1033 PRESSURE: 4581600 121.752 -162.962 -171.579 -162.962 -36.5584 -275.802 -171.579 -275.8 14.3929 GPRESSURE: 4581600 207.838 -177.281 -150.316 -67.9329 -72.4868 -227.356 -297.32 -282.689 52.7831 PRESSAVG: 4581600 -22.8804 -23.6663 -40.9942 -23.6662 74.7704 -2.76723 -40.9941 -2.7672 14.2922 GPRESSAVG: 4581600 -23.8137 -23.9998 -40.2804 -27.4674 75.541 -3.48678 -42.132 0.347615 14.3182 TIMING: 4581600 CPU: 14486.8, 0.0031661/step Wall: 14486.8, 0.0031661/step, 0.367971 hours remaining, 235.394531 MB of memory in use. ENERGY: 4581600 3922.0448 20434.0685 14455.6033 240.1236 -203355.1737 2567.5400 0.0000 0.0000 51981.6670 -109754.1265 298.7394 -161735.7935 -109389.8248 299.6833 33.1954 62.7113 760730.9789 22.0607 22.0152 PRESSURE: 4581800 76.7428 74.2481 1.68893 74.2477 -123.152 110.389 1.68859 110.388 250.254 GPRESSURE: 4581800 97.4085 130.262 128.558 -3.84889 -120.07 147.187 -78.2571 -81.3692 320.482 PRESSAVG: 4581800 -43.6527 24.1606 27.9217 24.1606 47.221 6.63029 27.9217 6.63023 0.290978 GPRESSAVG: 4581800 -43.6888 25.3249 28.691 25.6395 47.4606 8.68415 28.0156 5.33869 -0.0746824 TIMING: 4581800 CPU: 14487.5, 0.00315977/step Wall: 14487.5, 0.00315977/step, 0.36706 hours remaining, 235.394531 MB of memory in use. ENERGY: 4581800 3865.7347 20587.5214 14518.6616 229.2499 -203633.3300 2821.5360 0.0000 0.0000 51981.4806 -109629.1458 298.7383 -161610.6264 -109268.5812 299.0133 67.9483 99.2736 760995.1880 1.2864 1.2323 PRESSURE: 4582000 -247.832 8.41074 33.6633 8.41051 17.5118 267.674 33.6627 267.675 -314.746 GPRESSURE: 4582000 -238.08 7.67872 -10.0648 -35.3068 67.3133 276.204 5.65385 252.302 -287.248 PRESSAVG: 4582000 18.6101 12.0638 18.8844 12.0639 -13.9938 46.2517 18.8844 46.2517 12.5448 GPRESSAVG: 4582000 19.2602 12.9866 19.0873 10.1031 -13.2491 45.9279 19.172 45.1925 11.3267 TIMING: 4582000 CPU: 14488.1, 0.00316674/step Wall: 14488.1, 0.00316674/step, 0.367693 hours remaining, 235.394531 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: 4582000 4113.3233 20356.9373 14544.7885 249.5543 -203604.1184 2731.2604 0.0000 0.0000 52098.0220 -109510.2326 299.4080 -161608.2547 -109140.7013 298.6409 -181.6887 -152.6716 761513.9822 5.7204 5.7793 PRESSURE: 4582200 131.917 -109.728 15.5512 -109.729 -79.2039 -93.1093 15.5516 -93.1079 246.378 GPRESSURE: 4582200 264.613 -81.2144 24.772 -35.8808 -38.5487 -53.0688 62.5959 -95.143 152.106 PRESSAVG: 4582200 4.26669 -21.9948 11.0216 -21.9948 23.5119 27.9374 11.0215 27.9374 8.35609 GPRESSAVG: 4582200 2.54471 -22.186 8.38934 -18.509 23.0064 27.4233 9.72941 26.5418 10.5968 TIMING: 4582200 CPU: 14488.7, 0.00316844/step Wall: 14488.7, 0.00316844/step, 0.367715 hours remaining, 235.394531 MB of memory in use. ENERGY: 4582200 4068.6897 20376.1161 14460.7240 264.9102 -203320.2325 2615.8856 0.0000 0.0000 52091.4541 -109442.4529 299.3703 -161533.9070 -109072.1839 299.0423 99.6972 126.0567 762681.0684 12.0449 12.0493 PRESSURE: 4582400 -91.6612 174.268 44.8339 174.268 -96.2957 -156.502 44.8338 -156.502 -212.129 GPRESSURE: 4582400 -84.7189 66.1795 18.9961 171.051 -92.3134 -113.05 85.5982 -271.924 -147.997 PRESSAVG: 4582400 -3.01709 8.61273 43.8877 8.61267 12.063 -20.5867 43.8877 -20.5868 5.45269 GPRESSAVG: 4582400 -1.33782 7.42122 44.0912 5.48854 11.7651 -20.704 46.6248 -18.5516 4.3117 TIMING: 4582400 CPU: 14489.4, 0.00316565/step Wall: 14489.4, 0.00316565/step, 0.367215 hours remaining, 235.394531 MB of memory in use. ENERGY: 4582400 4032.9719 20519.6713 14501.6057 220.4601 -203295.6035 2628.3002 0.0000 0.0000 52030.3741 -109362.2201 299.0193 -161392.5942 -108994.9303 299.6070 -133.3621 -108.3431 762457.2397 4.8329 4.9130 PRESSURE: 4582600 -114.202 -63.0836 15.6849 -63.0841 -5.87721 168.448 15.6847 168.447 -131.757 GPRESSURE: 4582600 -90.1696 -114.475 86.4326 -247.414 71.0787 256.754 140.995 114.549 -141.532 PRESSAVG: 4582600 12.7552 14.4694 18.4907 14.4693 -13.174 10.7736 18.4907 10.7736 -18.4976 GPRESSAVG: 4582600 12.1819 14.3846 18.8566 14.7313 -12.6382 11.3691 18.421 8.05208 -18.3313 TIMING: 4582600 CPU: 14490, 0.00315095/step Wall: 14490, 0.00315095/step, 0.365335 hours remaining, 235.394531 MB of memory in use. ENERGY: 4582600 3992.1557 20695.8595 14427.0207 251.3870 -203934.6899 3210.8470 0.0000 0.0000 52284.0865 -109073.3335 300.4774 -161357.4200 -108716.3646 299.7548 -83.9455 -53.5408 763417.1419 -6.3055 -6.2625 PRESSURE: 4582800 -60.6747 -172.243 219.321 -172.243 278.825 47.0921 219.321 47.0926 321.219 GPRESSURE: 4582800 102.723 -134.505 234.623 -128.766 250.271 27.2449 188.743 112.644 273.414 PRESSAVG: 4582800 -14.7485 -0.333276 35.3397 -0.333187 6.70714 -4.0459 35.3397 -4.04593 -5.97848 GPRESSAVG: 4582800 -14.4245 1.45374 36.149 -0.030003 6.24878 -4.31709 32.7857 -1.58725 -6.02383 TIMING: 4582800 CPU: 14490.6, 0.00315002/step Wall: 14490.6, 0.00315002/step, 0.365052 hours remaining, 235.394531 MB of memory in use. ENERGY: 4582800 3924.7327 20510.3367 14482.2996 244.2819 -203631.6302 2966.7618 0.0000 0.0000 52315.0590 -109188.1584 300.6554 -161503.2174 -108813.3839 299.6342 179.7898 208.8025 763276.7988 -4.6733 -4.7332 PRESSURE: 4583000 233.533 46.169 -113.669 46.1688 198.253 100.903 -113.669 100.904 222.741 GPRESSURE: 4583000 203.551 49.3075 -71.9175 99.6287 394.647 71.2022 -143.097 94.1416 142.917 PRESSAVG: 4583000 -116.306 10.5976 19.0038 10.5977 114.693 1.16188 19.0038 1.16191 11.0778 GPRESSAVG: 4583000 -116.592 11.0893 18.3275 10.9766 114.607 0.462272 18.9283 1.32949 11.2196 TIMING: 4583000 CPU: 14491.3, 0.00316017/step Wall: 14491.3, 0.00316017/step, 0.366053 hours remaining, 235.394531 MB of memory in use. ENERGY: 4583000 4013.1641 20423.4298 14441.5600 237.5218 -203821.7633 2983.5482 0.0000 0.0000 52420.0837 -109302.4557 301.2589 -161722.5395 -108937.2947 300.4004 218.1757 247.0386 760493.0606 3.1547 3.0783 PRESSURE: 4583200 226.927 -69.2498 -102.225 -69.2488 578.566 -95.3504 -102.226 -95.3511 -117.102 GPRESSURE: 4583200 219.724 -100.864 -46.2839 -147.571 566.203 -59.3142 -84.2496 -225.654 1.71791 PRESSAVG: 4583200 -31.3124 -14.6516 -22.3135 -14.6516 -1.44871 -0.288916 -22.3136 -0.289046 20.641 GPRESSAVG: 4583200 -31.1452 -14.0841 -20.8128 -15.5463 -1.52606 -0.295588 -22.0301 -2.26898 20.7957 TIMING: 4583200 CPU: 14491.9, 0.00316074/step Wall: 14491.9, 0.00316074/step, 0.365943 hours remaining, 235.394531 MB of memory in use. ENERGY: 4583200 4007.9034 20614.7469 14506.0409 250.3625 -203743.9067 3003.0567 0.0000 0.0000 52002.2298 -109359.5665 298.8575 -161361.7963 -109005.0809 299.6298 229.4636 262.5484 760534.4425 -4.0400 -3.9585 PRESSURE: 4583400 -154.895 -191.971 41.3511 -191.97 -267.729 -95.063 41.3509 -95.0632 -221.445 GPRESSURE: 4583400 -15.2021 -172.102 47.7391 -72.1087 -292.119 -129.05 -72.2024 -61.1693 -220.659 PRESSAVG: 4583400 39.0787 -44.637 32.5587 -44.637 -7.35618 -12.1873 32.5587 -12.1874 -3.55669 GPRESSAVG: 4583400 40.2361 -48.7957 31.9893 -44.2401 -8.91244 -13.2451 34.1611 -9.51548 -3.59663 TIMING: 4583400 CPU: 14492.5, 0.00317787/step Wall: 14492.5, 0.00317787/step, 0.367751 hours remaining, 235.394531 MB of memory in use. ENERGY: 4583400 4007.0110 20462.8480 14542.7376 244.0363 -203193.8924 2515.4870 0.0000 0.0000 52002.1644 -109419.6080 298.8572 -161421.7724 -109064.3626 300.0566 -214.6900 -175.9934 762632.4382 9.3886 9.2423 PRESSURE: 4583600 -7.00048 56.725 170.383 56.7233 -85.6319 198.569 170.383 198.568 -135.141 GPRESSURE: 4583600 1.81723 36.1256 214.331 123.226 -65.6816 158.732 75.7397 186.552 -93.4083 PRESSAVG: 4583600 56.3979 -23.0182 31.3861 -23.0182 -71.7991 30.1495 31.3862 30.1495 -5.64141 GPRESSAVG: 4583600 56.067 -22.4861 30.7445 -23.4765 -71.7687 31.8491 29.6158 27.5348 -5.2111 TIMING: 4583600 CPU: 14493.2, 0.00314768/step Wall: 14493.2, 0.00314768/step, 0.364081 hours remaining, 235.394531 MB of memory in use. ENERGY: 4583600 4015.0482 20333.6865 14501.0610 249.9743 -203523.5728 2982.1812 0.0000 0.0000 52047.4958 -109394.1258 299.1177 -161441.6216 -109029.6127 299.2445 -75.9246 -52.4242 762764.0200 -7.0142 -6.9709 PRESSURE: 4583800 -347.701 13.9927 221.057 13.9927 5.80746 -44.7801 221.056 -44.78 -20.1309 GPRESSURE: 4583800 -366.83 -55.1937 234.659 -9.49689 38.4192 -131.461 214.399 -162.575 46.7724 PRESSAVG: 4583800 11.7287 -71.7 4.92669 -71.7 -5.13172 -19.4 4.9267 -19.4 -3.02556 GPRESSAVG: 4583800 11.3112 -72.1583 5.57919 -71.3962 -3.80529 -21.0917 5.33423 -19.2326 -3.93045 TIMING: 4583800 CPU: 14493.8, 0.00316542/step Wall: 14493.8, 0.00316542/step, 0.365958 hours remaining, 235.394531 MB of memory in use. ENERGY: 4583800 3976.6835 20480.3835 14427.5260 263.7509 -202703.0127 2271.9692 0.0000 0.0000 51979.9809 -109302.7187 298.7297 -161282.6996 -108935.5752 299.4957 -120.6748 -93.8794 762258.2883 1.1905 1.1918 PRESSURE: 4584000 -56.8264 -16.2133 222.766 -16.2123 46.8751 29.5071 222.766 29.5084 330.935 GPRESSURE: 4584000 66.9344 -88.9932 256.833 -95.7029 72.2598 1.10359 62.2357 45.7504 264.595 PRESSAVG: 4584000 9.66911 14.6837 38.7699 14.6837 -9.78146 1.18513 38.7699 1.18509 -0.618047 GPRESSAVG: 4584000 8.98076 14.6358 39.304 13.7357 -9.51286 0.902914 38.9367 3.0198 -0.378333 TIMING: 4584000 CPU: 14494.4, 0.00317953/step Wall: 14494.4, 0.00317953/step, 0.367412 hours remaining, 235.394531 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: 4584000 3953.6765 20625.0302 14462.8201 239.5895 -203087.3005 2424.4941 0.0000 0.0000 51863.3188 -109518.3713 298.0592 -161381.6901 -109160.0546 299.4379 106.9947 134.5965 759168.1281 -0.2435 -0.3035 PRESSURE: 4584200 34.4289 -39.1968 -53.5108 -39.1958 -150.143 181.099 -53.5111 181.098 -237.48 GPRESSURE: 4584200 109.883 2.4283 63.5778 -23.3175 -157.71 155.568 75.3548 174.192 -232.741 PRESSAVG: 4584200 6.11228 12.4472 -3.55791 12.4472 10.0592 -1.44563 -3.55788 -1.44565 -3.58003 GPRESSAVG: 4584200 8.12445 13.7107 -5.35099 11.938 8.22604 -0.724246 -2.86818 -1.93128 -3.91601 TIMING: 4584200 CPU: 14495.1, 0.00316486/step Wall: 14495.1, 0.00316486/step, 0.365541 hours remaining, 235.394531 MB of memory in use. ENERGY: 4584200 4018.9873 20545.8355 14409.3652 225.2347 -203229.4269 2431.0957 0.0000 0.0000 52017.9247 -109580.9839 298.9477 -161598.9086 -109216.3753 299.3744 -117.7314 -93.5228 759326.7147 4.1971 4.1448 LDB: ============= START OF LOAD BALANCING ============== 14507.6 LDB: ============== END OF LOAD BALANCING =============== 14507.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14507.6 LDB: ============= START OF LOAD BALANCING ============== 14507.9 LDB: Largest compute 7078 load 0.036116 is 18.5% of average load 0.195571 LDB: Average compute 0.004382 is 2.2% of average load 0.195571 LDB: TIME 14507.9 LOAD: AVG 0.195571 MAX 0.214566 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.586 MB LDB: TIME 14507.9 LOAD: AVG 0.195571 MAX 0.214566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: TIME 14507.9 LOAD: AVG 0.195571 MAX 0.214566 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.586 MB LDB: ============== END OF LOAD BALANCING =============== 14507.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14507.9 PRESSURE: 4584400 76.8708 45.8755 52.7128 45.8757 -118.748 -10.1925 52.7133 -10.1909 53.8263 GPRESSURE: 4584400 193.376 -118.101 76.613 -117.602 -136.579 28.626 15.7367 -78.5037 54.7781 PRESSAVG: 4584400 46.4136 -67.5541 4.05074 -67.5541 -66.9719 -15.8312 4.05062 -15.8313 -2.66901 GPRESSAVG: 4584400 45.8208 -68.098 4.7718 -66.2704 -66.2384 -17.0495 3.78501 -14.5941 -3.16108 TIMING: 4584400 CPU: 14495.7, 0.00321777/step Wall: 14495.7, 0.00321776/step, 0.371473 hours remaining, 237.667969 MB of memory in use. ENERGY: 4584400 4074.5662 20654.6208 14472.2216 236.8305 -203394.9741 2593.1238 0.0000 0.0000 52183.9026 -109179.7086 299.9016 -161363.6112 -108820.8563 299.8533 3.9830 37.1917 759401.4642 -7.7424 -7.8596 PRESSURE: 4584600 -263.207 206.066 -76.0866 206.067 75.3909 -6.20841 -76.0863 -6.20917 -144.187 GPRESSURE: 4584600 -261.007 226.745 5.01361 199.665 160.118 -3.077 -131.375 -85.0443 -153.879 PRESSAVG: 4584600 46.1572 17.3471 40.109 17.3472 -14.6665 20.7589 40.109 20.7588 -8.84643 GPRESSAVG: 4584600 44.9836 19.0304 40.4362 16.6588 -14.1002 22.2503 41.5686 20.3217 -8.25288 TIMING: 4584600 CPU: 14496.3, 0.00316216/step Wall: 14496.3, 0.00316216/step, 0.364878 hours remaining, 237.871094 MB of memory in use. ENERGY: 4584600 4141.0382 20563.5805 14561.7585 258.5889 -203540.7489 2644.2370 0.0000 0.0000 52157.7622 -109213.7836 299.7514 -161371.5458 -108856.6736 300.4725 -110.6678 -84.9224 760079.4044 7.5481 7.5435 PRESSURE: 4584800 -298.585 12.3754 18.2871 12.3752 -209.855 259.921 18.2869 259.92 -403.904 GPRESSURE: 4584800 -279.751 58.5475 -6.16042 -160.795 -132.119 325.015 92.0449 125.484 -409.421 PRESSAVG: 4584800 -51.9579 -24.9091 -18.6015 -24.9091 21.4715 -35.6009 -18.6015 -35.6009 36.0905 GPRESSAVG: 4584800 -51.5398 -26.057 -20.0772 -25.5403 21.8804 -36.167 -17.3899 -37.7022 35.4175 TIMING: 4584800 CPU: 14497, 0.00319154/step Wall: 14497, 0.00319154/step, 0.368091 hours remaining, 237.871094 MB of memory in use. ENERGY: 4584800 3959.2922 20553.9631 14437.9463 243.5524 -202897.0221 2334.7558 0.0000 0.0000 52034.8423 -109332.6700 299.0450 -161367.5123 -108960.8952 300.0158 -304.1146 -273.7638 762772.7880 1.8680 1.9194 PRESSURE: 4585000 -342.909 -34.0093 0.50496 -34.0097 193.622 14.9977 0.504082 14.9976 -151.369 GPRESSURE: 4585000 -348.328 -39.4053 -58.065 -120.89 210.538 -18.1325 -50.7591 100.104 -98.3937 PRESSAVG: 4585000 -40.2838 5.38518 -17.568 5.38526 28.2926 33.2722 -17.568 33.2724 15.4298 GPRESSAVG: 4585000 -41.5277 3.89568 -17.1415 3.9552 28.341 33.3778 -18.8845 35.537 16.0561 TIMING: 4585000 CPU: 14497.6, 0.00317764/step Wall: 14497.6, 0.00317764/step, 0.366311 hours remaining, 237.871094 MB of memory in use. ENERGY: 4585000 4014.0757 20561.5572 14461.1718 244.5005 -203213.7122 2502.3847 0.0000 0.0000 52143.4135 -109286.6088 299.6689 -161430.0223 -108935.1315 299.3623 -100.2184 -78.7277 761858.8637 1.1462 0.9565 PRESSURE: 4585200 182.556 4.44881 81.2662 4.4491 47.9721 -9.09627 81.2664 -9.09636 56.077 GPRESSURE: 4585200 246.622 -42.4953 89.6257 48.4452 49.9531 -29.308 144.499 47.8292 79.1076 PRESSAVG: 4585200 -58.6534 11.0035 3.09422 11.0034 45.1261 -48.1954 3.09422 -48.1953 -7.3764 GPRESSAVG: 4585200 -58.0342 11.6661 3.62119 13.8228 44.1917 -49.0818 3.96856 -48.9849 -6.4663 TIMING: 4585200 CPU: 14498.2, 0.00315597/step Wall: 14498.2, 0.00315597/step, 0.363638 hours remaining, 237.871094 MB of memory in use. ENERGY: 4585200 4000.7288 20484.5464 14438.7938 238.9635 -203383.5241 2476.6112 0.0000 0.0000 52148.8176 -109595.0627 299.7000 -161743.8803 -109228.6394 299.4632 95.5352 125.2276 759408.4884 -6.9679 -6.7696 PRESSURE: 4585400 -15.3074 323.033 -113.034 323.034 185.926 -21.2759 -113.034 -21.2758 295.885 GPRESSURE: 4585400 1.96128 257.411 -107.832 214.255 227.441 -160.095 -70.3465 40.3015 315.646 PRESSAVG: 4585400 -3.71819 -4.04298 40.128 -4.04296 28.8351 -3.38357 40.128 -3.38365 15.2129 GPRESSAVG: 4585400 -3.75626 -4.58138 40.4164 -4.14611 29.9313 -3.125 39.6523 -2.18854 14.0073 TIMING: 4585400 CPU: 14498.9, 0.00316833/step Wall: 14498.9, 0.00316832/step, 0.364885 hours remaining, 237.871094 MB of memory in use. ENERGY: 4585400 3920.8214 20451.0686 14388.3161 236.5685 -202973.3545 2337.7238 0.0000 0.0000 52239.5948 -109399.2613 300.2217 -161638.8561 -109027.1244 299.3080 155.5014 181.6826 760317.6658 13.4433 13.3941 PRESSURE: 4585600 -12.792 -59.0817 -94.5288 -59.0812 -228.544 -15.3138 -94.5294 -15.3136 -49.5437 GPRESSURE: 4585600 -24.8299 3.82499 -64.1074 -105.393 -223.143 32.6941 -147.425 -44.7015 18.5809 PRESSAVG: 4585600 -16.2488 -12.154 12.6227 -12.1539 36.567 -4.84503 12.6227 -4.84491 -3.34714 GPRESSAVG: 4585600 -15.5671 -11.2734 13.3467 -12.3235 36.0081 -3.0932 11.5211 -6.822 -2.86636 TIMING: 4585600 CPU: 14499.5, 0.00316131/step Wall: 14499.5, 0.00316131/step, 0.363901 hours remaining, 237.871094 MB of memory in use. ENERGY: 4585600 3963.1678 20411.9807 14528.7175 234.3153 -202823.7045 2158.9951 0.0000 0.0000 52059.4173 -109467.1108 299.1862 -161526.5282 -109114.0250 299.5621 -96.9598 -76.4638 760505.5719 5.6570 5.8582 PRESSURE: 4585800 286.062 -9.36151 168.847 -9.36133 151.745 151.653 168.847 151.654 -51.4541 GPRESSURE: 4585800 287.724 14.9457 176.428 -109.486 272.189 150.501 48.9736 238.408 -81.5134 PRESSAVG: 4585800 9.03155 -26.5353 -25.5255 -26.5354 16.2573 3.58809 -25.5255 3.5881 3.10029 GPRESSAVG: 4585800 8.99223 -25.9334 -25.4678 -27.7792 16.186 4.24477 -27.1149 4.34504 3.45965 TIMING: 4585800 CPU: 14500.1, 0.00318113/step Wall: 14500.1, 0.00318113/step, 0.366007 hours remaining, 237.871094 MB of memory in use. ENERGY: 4585800 3913.3512 20336.3997 14410.9161 235.4084 -203629.1793 2829.5948 0.0000 0.0000 52295.8136 -109607.6955 300.5448 -161903.5091 -109237.4945 299.2713 128.7843 159.4667 760265.0478 9.4630 9.5460 PRESSURE: 4586000 120.778 -98.9943 72.7559 -98.9943 387.351 -146.464 72.7551 -146.463 -25.5741 GPRESSURE: 4586000 211.443 -51.2047 68.0519 25.8755 317.017 -233.711 123.853 -32.5726 59.7681 PRESSAVG: 4586000 0.551019 21.0393 4.81169 21.0393 -23.2982 -25.8962 4.81177 -25.8962 5.9801 GPRESSAVG: 4586000 0.142629 20.9116 2.47246 20.1956 -23.7679 -27.1406 7.0396 -24.5285 6.78577 TIMING: 4586000 CPU: 14500.8, 0.00315442/step Wall: 14500.8, 0.00315442/step, 0.362759 hours remaining, 237.871094 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: 4586000 3996.5224 20303.6444 14506.7912 242.1376 -203150.2441 2582.5677 0.0000 0.0000 52120.3511 -109398.2297 299.5364 -161518.5807 -109034.2725 299.0955 160.8516 196.0759 762513.5027 -5.5890 -5.6132 PRESSURE: 4586200 284.429 74.1764 7.37766 74.1765 9.96451 -105.891 7.3765 -105.891 92.6592 GPRESSURE: 4586200 359.938 68.7625 103.579 51.0726 58.9726 -99.181 -133.268 -49.9157 68.5211 PRESSAVG: 4586200 -7.28655 65.1552 -26.1343 65.1552 0.319615 3.74108 -26.1342 3.74105 2.58503 GPRESSAVG: 4586200 -6.79873 64.2123 -23.3061 67.5108 1.28473 5.64987 -27.3018 2.17914 1.99549 TIMING: 4586200 CPU: 14501.4, 0.00315626/step Wall: 14501.4, 0.00315626/step, 0.362794 hours remaining, 237.871094 MB of memory in use. ENERGY: 4586200 3975.5686 20572.6806 14441.6995 260.2019 -203272.3928 2671.7633 0.0000 0.0000 51999.4636 -109351.0153 298.8416 -161350.4789 -108989.1510 299.0023 129.0177 162.4773 762278.3138 -1.4606 -1.1728 PRESSURE: 4586400 237.529 -51.1027 -90.3317 -51.1022 -59.904 -81.8828 -90.3309 -81.8829 -78.2321 GPRESSURE: 4586400 240.829 -205.189 -97.5392 97.473 26.7547 -65.4179 -97.0562 -100.75 -68.0027 PRESSAVG: 4586400 -12.8376 -10.1378 -30.5357 -10.1378 -31.6193 -13.4382 -30.5357 -13.4382 14.2256 GPRESSAVG: 4586400 -14.1746 -11.7853 -31.7939 -8.91452 -30.2494 -15.4889 -29.5936 -13.9183 14.5963 TIMING: 4586400 CPU: 14502, 0.00316383/step Wall: 14502, 0.00316383/step, 0.363489 hours remaining, 237.871094 MB of memory in use. ENERGY: 4586400 3987.1396 20460.4150 14439.5147 232.2876 -203331.3355 2595.7090 0.0000 0.0000 52091.9924 -109524.2771 299.3734 -161616.2695 -109163.7241 299.1780 33.1308 66.5270 761419.2438 -10.0771 -9.9426 PRESSURE: 4586600 27.7231 129.765 75.0379 129.764 83.4515 221.754 75.0373 221.753 278.974 GPRESSURE: 4586600 128.713 98.0709 118.22 75.2979 73.312 170.353 -55.9418 328.378 272.247 PRESSAVG: 4586600 -8.80515 50.3298 39.6535 50.3298 24.8262 -5.49091 39.6535 -5.49096 2.39918 GPRESSAVG: 4586600 -8.54723 51.334 40.4067 46.8483 23.6422 -4.30241 39.3107 -3.82973 3.08478 TIMING: 4586600 CPU: 14502.7, 0.00315497/step Wall: 14502.7, 0.00315497/step, 0.362296 hours remaining, 237.871094 MB of memory in use. ENERGY: 4586600 3999.6845 20477.3736 14475.7091 236.2733 -203430.5845 2803.1735 0.0000 0.0000 51851.5302 -109586.8404 297.9915 -161438.3706 -109218.2154 299.1518 130.0495 158.0905 761442.5457 6.1401 6.0599 PRESSURE: 4586800 227.557 -13.2377 47.0165 -13.2381 255.69 121.085 47.0169 121.086 -367.633 GPRESSURE: 4586800 202.187 135.971 106.837 -132.618 353.058 110.091 -45.6649 158.753 -338.806 PRESSAVG: 4586800 10.077 -26.354 -46.9082 -26.3539 -1.34623 5.85959 -46.9082 5.85958 -1.0598 GPRESSAVG: 4586800 10.3747 -26.1811 -49.117 -24.4164 -1.44086 5.55604 -45.6645 5.09729 -1.25056 TIMING: 4586800 CPU: 14503.3, 0.00314954/step Wall: 14503.3, 0.00314954/step, 0.361497 hours remaining, 237.871094 MB of memory in use. ENERGY: 4586800 3993.3014 20460.5351 14438.9368 241.1527 -203358.7289 2767.9991 0.0000 0.0000 52021.4889 -109435.3148 298.9682 -161456.8038 -109069.0953 299.0245 38.5380 72.1464 762154.7698 2.5570 2.5611 PRESSURE: 4587000 -470.534 88.0881 -39.5564 88.0884 -75.1316 150.313 -39.5563 150.313 -453.201 GPRESSURE: 4587000 -384.471 40.6992 97.5745 59.4921 -117.798 223.134 -132.144 22.3338 -414.041 PRESSAVG: 4587000 -40.7084 -1.66144 6.39343 -1.66146 26.5731 -38.1369 6.39343 -38.1369 1.30732 GPRESSAVG: 4587000 -39.8758 -0.547771 8.09232 -3.05512 25.1175 -38.5329 5.67092 -36.7366 1.36413 TIMING: 4587000 CPU: 14503.9, 0.00315728/step Wall: 14503.9, 0.00315728/step, 0.36221 hours remaining, 237.871094 MB of memory in use. ENERGY: 4587000 4032.8674 20322.7266 14502.7668 229.0369 -203332.9486 2666.3210 0.0000 0.0000 52175.5865 -109403.6434 299.8538 -161579.2299 -109034.2092 298.8608 -332.9555 -305.4365 762787.4028 -4.2760 -4.4647 PRESSURE: 4587200 -213.09 -57.6397 -179.802 -57.6393 -223.764 38.9294 -179.802 38.9303 -231.864 GPRESSURE: 4587200 -132.328 -19.34 -128.359 -8.07634 -258.192 -88.3423 -129.184 82.0613 -202.035 PRESSAVG: 4587200 -51.8693 -28.0597 -2.41088 -28.0597 -5.0529 56.8288 -2.41088 56.8288 34.3992 GPRESSAVG: 4587200 -52.6315 -28.0499 -2.76658 -26.6917 -3.45637 55.2868 -1.78796 56.6727 33.6674 TIMING: 4587200 CPU: 14504.6, 0.00316666/step Wall: 14504.6, 0.00316666/step, 0.363111 hours remaining, 237.871094 MB of memory in use. ENERGY: 4587200 3993.9342 20468.1951 14379.2175 245.7607 -203054.8127 2584.7517 0.0000 0.0000 52029.5967 -109353.3568 299.0148 -161382.9535 -108985.1400 298.9512 -222.9059 -197.5182 763606.5639 -7.5077 -7.4735 PRESSURE: 4587400 -26.1217 194.504 156.983 194.504 -77.1675 21.6638 156.984 21.6645 -125.208 GPRESSURE: 4587400 24.4231 130.115 130.303 180.947 -49.1288 -14.1402 188.627 65.9828 -146.39 PRESSAVG: 4587400 -4.59091 -41.9871 29.7977 -41.987 32.3082 18.3708 29.7977 18.3708 -3.66702 GPRESSAVG: 4587400 -3.95688 -43.7043 29.5216 -41.4936 30.7728 20.8068 27.5733 17.9269 -3.43883 TIMING: 4587400 CPU: 14505.2, 0.0031626/step Wall: 14505.2, 0.0031626/step, 0.362469 hours remaining, 237.871094 MB of memory in use. ENERGY: 4587400 4011.5921 20453.3714 14532.2497 261.7181 -203209.6075 2506.7550 0.0000 0.0000 51991.2670 -109452.6540 298.7945 -161443.9211 -109095.3728 298.6575 -76.1657 -57.0320 762609.1940 8.0168 7.7924 PRESSURE: 4587600 222.842 5.31121 -29.2246 5.31084 -130.348 -73.931 -29.2241 -73.9318 443.443 GPRESSURE: 4587600 322.034 16.6413 37.0929 79.1084 -134.76 -138.064 99.6352 -108.979 426.107 PRESSAVG: 4587600 17.9916 -12.9479 17.4448 -12.9479 -43.3016 10.1572 17.4448 10.1572 2.69938 GPRESSAVG: 4587600 17.6314 -13.7449 18.9889 -12.5167 -43.1882 8.71817 17.715 10.4004 2.53192 TIMING: 4587600 CPU: 14505.8, 0.00317683/step Wall: 14505.8, 0.00317683/step, 0.363923 hours remaining, 237.871094 MB of memory in use. ENERGY: 4587600 3932.8188 20492.9049 14447.8539 242.3258 -203190.0214 2719.5823 0.0000 0.0000 52184.2510 -109170.2848 299.9036 -161354.5358 -108804.1626 299.1050 178.6459 204.4605 762581.2398 -7.5369 -7.6750 PRESSURE: 4587800 -222.637 -104.352 -212.486 -104.352 -761.355 -4.08617 -212.487 -4.08552 -253.05 GPRESSURE: 4587800 -138.681 -47.9236 -208.391 -137.942 -702.98 12.2011 -162.53 42.6713 -285.986 PRESSAVG: 4587800 32.1835 -30.3341 -38.0946 -30.334 -18.0075 33.2976 -38.0946 33.2975 12.2882 GPRESSAVG: 4587800 32.5653 -27.927 -38.939 -29.9827 -18.33 35.8708 -38.2408 34.1062 11.7939 TIMING: 4587800 CPU: 14506.5, 0.00317678/step Wall: 14506.5, 0.00317677/step, 0.363741 hours remaining, 237.871094 MB of memory in use. ENERGY: 4587800 3996.1358 20310.4774 14488.9801 241.0243 -202472.3641 2274.2714 0.0000 0.0000 51873.3576 -109288.1176 298.1169 -161161.4752 -108915.3501 299.4803 -412.3475 -375.8824 764904.8591 8.8214 8.6764 PRESSURE: 4588000 238.387 -31.6798 -70.1387 -31.68 127.405 88.8145 -70.1388 88.815 41.6777 GPRESSURE: 4588000 220.13 -60.6307 -70.4907 -98.8821 219.118 96.9045 -67.5204 60.4889 32.9062 PRESSAVG: 4588000 6.97026 39.3841 15.6576 39.3841 43.6697 23.9741 15.6576 23.9742 7.37273 GPRESSAVG: 4588000 6.90008 37.1788 14.5358 38.4305 44.113 21.279 15.5764 24.05 7.49075 TIMING: 4588000 CPU: 14507.1, 0.00316387/step Wall: 14507.1, 0.00316387/step, 0.362088 hours remaining, 237.871094 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: 4588000 3910.2596 20482.1271 14513.8468 258.3214 -203575.6874 3075.2301 0.0000 0.0000 52069.2948 -109266.6077 299.2430 -161335.9025 -108913.1045 299.1029 135.8233 157.3845 760642.1512 19.3376 19.5013 PRESSURE: 4588200 299.077 87.815 68.0652 87.8152 -91.9661 -327.893 68.0655 -327.892 115.729 GPRESSURE: 4588200 326.746 43.1372 78.8356 -41.455 -116.899 -343.209 26.8414 -236.961 200.082 PRESSAVG: 4588200 48.0743 -4.17807 -25.9217 -4.17809 -30.4992 37.3908 -25.9217 37.3908 -17.3769 GPRESSAVG: 4588200 48.5145 -4.26411 -25.065 -3.49321 -31.2592 38.5512 -25.8588 37.8402 -17.093 TIMING: 4588200 CPU: 14507.7, 0.00316994/step Wall: 14507.7, 0.00316994/step, 0.362605 hours remaining, 237.871094 MB of memory in use. ENERGY: 4588200 3975.0315 20470.3325 14476.3589 255.7287 -203518.0343 2930.0555 0.0000 0.0000 52010.0664 -109400.4609 298.9026 -161410.5272 -109048.5317 299.4684 107.6133 136.6432 759900.7873 0.0661 0.0541 LDB: ============= START OF LOAD BALANCING ============== 14520.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14520.3 LDB: =============== DONE WITH MIGRATION ================ 14520.3 LDB: ============= START OF LOAD BALANCING ============== 14520.6 LDB: Largest compute 7077 load 0.034763 is 17.8% of average load 0.195687 LDB: Average compute 0.004357 is 2.2% of average load 0.195687 LDB: TIME 14520.6 LOAD: AVG 0.195687 MAX 0.214648 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.398 MB LDB: TIME 14520.6 LOAD: AVG 0.195687 MAX 0.214648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.473 MB LDB: TIME 14520.6 LOAD: AVG 0.195687 MAX 0.214648 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.473 MB LDB: ============== END OF LOAD BALANCING =============== 14520.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14520.6 PRESSURE: 4588400 6.44321 -3.40871 32.2823 -3.4095 403.139 -63.7028 32.2826 -63.7037 239.396 GPRESSURE: 4588400 105.691 102.758 33.1331 -63.1016 410.784 -50.5464 60.4996 -17.8537 241.394 PRESSAVG: 4588400 -12.5456 -50.4089 28.0779 -50.409 18.2825 12.0655 28.0779 12.0654 -8.36058 GPRESSAVG: 4588400 -12.9416 -48.2791 27.0008 -52.9952 17.908 11.0632 28.3641 11.8937 -8.00669 TIMING: 4588400 CPU: 14508.4, 0.00323746/step Wall: 14508.4, 0.00323746/step, 0.370149 hours remaining, 235.328125 MB of memory in use. ENERGY: 4588400 3877.9633 20503.1075 14508.9656 226.6228 -203197.7385 2806.7950 0.0000 0.0000 52149.3035 -109124.9807 299.7028 -161274.2843 -108760.2277 299.1639 216.3260 252.6231 760961.2745 -0.8746 -1.0134 PRESSURE: 4588600 -286.767 -159.717 -14.0646 -159.718 -35.3057 195.899 -14.0636 195.9 234.805 GPRESSURE: 4588600 -162.67 -29.2939 21.5002 -114.983 -123.943 214.029 -83.6794 121.846 270.315 PRESSAVG: 4588600 -39.6645 -8.69436 5.32513 -8.69439 62.2613 -4.77566 5.3252 -4.77566 10.0247 GPRESSAVG: 4588600 -40.021 -8.51466 5.74068 -7.38 62.5061 -3.52724 4.31619 -5.01829 9.99845 TIMING: 4588600 CPU: 14509, 0.00321204/step Wall: 14509, 0.00321204/step, 0.367065 hours remaining, 235.636719 MB of memory in use. ENERGY: 4588600 4017.0560 20584.8107 14497.9785 227.6709 -202503.9435 2421.4528 0.0000 0.0000 52031.6461 -108723.3286 299.0266 -160754.9747 -108360.6603 300.2286 -29.0892 -5.4325 763152.6457 10.8738 10.8279 PRESSURE: 4588800 -165.864 -28.5392 59.599 -28.5395 39.0429 136.524 59.5989 136.524 299.843 GPRESSURE: 4588800 -174.133 -61.3223 79.3283 -1.99123 154.708 60.1544 61.2057 27.827 261.556 PRESSAVG: 4588800 -54.7201 0.611321 -21.8027 0.611324 36.9059 39.7767 -21.8027 39.7767 0.230078 GPRESSAVG: 4588800 -56.705 1.12944 -22.4016 0.874781 37.9824 41.2856 -20.7314 39.8874 1.03873 TIMING: 4588800 CPU: 14509.7, 0.00319329/step Wall: 14509.7, 0.00319329/step, 0.364744 hours remaining, 235.636719 MB of memory in use. ENERGY: 4588800 4004.5666 20564.6989 14487.5503 242.3352 -202678.5790 2471.4809 0.0000 0.0000 52093.1747 -108814.7723 299.3802 -160907.9470 -108450.7673 299.8966 57.6737 80.7102 762293.8781 -5.8614 -5.8946 PRESSURE: 4589000 -73.8734 10.1069 -86.4811 10.1078 -499.958 52.9332 -86.4809 52.9333 -282.308 GPRESSURE: 4589000 53.2227 -55.7036 -73.3398 -46.6658 -492.847 67.5683 -32.4634 81.3253 -344.557 PRESSAVG: 4589000 -58.2759 47.1558 -11.2741 47.1558 32.3564 45.8198 -11.2741 45.8198 5.03867 GPRESSAVG: 4589000 -56.106 47.0429 -9.98712 48.19 31.6384 44.2533 -10.3593 46.5145 3.33286 TIMING: 4589000 CPU: 14510.3, 0.0032004/step Wall: 14510.3, 0.00320039/step, 0.365378 hours remaining, 235.636719 MB of memory in use. ENERGY: 4589000 3968.1661 20403.0220 14514.5758 241.9615 -202851.0459 2331.2274 0.0000 0.0000 52440.2755 -108951.8177 301.3750 -161392.0932 -108587.1539 300.0634 -285.3798 -261.3936 763653.9284 -6.9603 -7.0449 PRESSURE: 4589200 -262.509 14.676 56.2255 14.6755 -175.27 188.593 56.225 188.594 -17.1015 GPRESSURE: 4589200 -158.4 4.56191 52.0024 89.0278 -113.75 178.366 74.9634 44.6489 -83.128 PRESSAVG: 4589200 -19.8258 -35.0837 19.1936 -35.0836 50.4037 4.98478 19.1936 4.98483 -10.9406 GPRESSAVG: 4589200 -20.093 -36.3189 18.7014 -35.5665 50.109 5.0787 16.3306 4.71252 -10.0532 TIMING: 4589200 CPU: 14510.9, 0.00318275/step Wall: 14510.9, 0.00318275/step, 0.363188 hours remaining, 235.636719 MB of memory in use. ENERGY: 4589200 4046.5920 20506.6512 14500.2735 243.3682 -202953.9730 2580.6666 0.0000 0.0000 51993.1987 -109083.2227 298.8056 -161076.4215 -108727.8738 300.1095 -151.6268 -118.4261 763374.8168 6.5458 6.6542 PRESSURE: 4589400 80.1597 23.4731 33.3303 23.473 376.745 35.8787 33.3308 35.8786 133.532 GPRESSURE: 4589400 114.012 -2.467 1.12481 133.372 350.955 34.1588 -10.0986 122.1 208.955 PRESSAVG: 4589400 -26.285 30.4212 -25.6458 30.4212 -9.30909 47.4857 -25.6458 47.4857 8.23457 GPRESSAVG: 4589400 -26.6578 30.4015 -24.0024 31.4495 -9.56685 47.8401 -25.5315 45.3638 9.18928 TIMING: 4589400 CPU: 14511.6, 0.00318353/step Wall: 14511.6, 0.00318353/step, 0.363099 hours remaining, 235.636719 MB of memory in use. ENERGY: 4589400 3943.2557 20380.0291 14452.0448 252.7991 -203575.1069 2863.1754 0.0000 0.0000 52475.6800 -109208.1229 301.5785 -161683.8028 -108827.4456 299.8293 196.8121 224.6406 761732.2126 -9.1198 -9.0118 PRESSURE: 4589600 23.9195 -62.8617 -115.756 -62.861 -231.469 -257.871 -115.756 -257.87 -36.1162 GPRESSURE: 4589600 147.265 -43.4059 -126.309 -130.065 -176.304 -220.03 -196.63 -298.355 -106.487 PRESSAVG: 4589600 28.8818 -59.7039 -26.6328 -59.7039 -8.46706 24.0862 -26.6328 24.0862 -6.21486 GPRESSAVG: 4589600 29.9855 -59.7738 -28.4316 -59.8738 -9.59749 25.2096 -25.1869 25.7519 -6.15692 TIMING: 4589600 CPU: 14512.2, 0.00318135/step Wall: 14512.2, 0.00318135/step, 0.362674 hours remaining, 235.636719 MB of memory in use. ENERGY: 4589600 4071.1518 20480.8276 14517.7134 266.2925 -203373.0365 2822.8617 0.0000 0.0000 52160.9442 -109053.2454 299.7697 -161214.1895 -108692.8902 299.8306 -81.2220 -45.1752 762237.9968 4.7333 4.7437 PRESSURE: 4589800 -100.584 -53.6731 -150.606 -53.6723 -196.573 -18.2218 -150.606 -18.2213 -290.809 GPRESSURE: 4589800 -147.879 -17.2777 -127.285 -9.14924 -150.063 -88.0477 -71.8753 -18.6658 -196.221 PRESSAVG: 4589800 -0.0840063 5.48347 20.4706 5.48347 -20.3894 27.5108 20.4707 27.5108 -14.6623 GPRESSAVG: 4589800 -0.306851 6.04824 20.7901 4.33819 -18.9791 27.4363 19.09 27.8031 -15.0334 TIMING: 4589800 CPU: 14512.8, 0.00316733/step Wall: 14512.8, 0.00316733/step, 0.360899 hours remaining, 235.636719 MB of memory in use. ENERGY: 4589800 3945.2220 20429.4168 14460.6263 281.8777 -202665.3243 2223.3679 0.0000 0.0000 52051.2690 -109273.5445 299.1394 -161324.8135 -108904.2152 300.0310 -195.9887 -164.7209 763321.1155 -11.7119 -11.4398 PRESSURE: 4590000 238.104 -58.7486 -137.092 -58.7498 319.559 -143.659 -137.093 -143.66 -329.368 GPRESSURE: 4590000 188.614 75.7845 -158.119 -30.1504 352.413 -129.347 -208.002 3.80234 -246.233 PRESSAVG: 4590000 25.6109 -14.295 23.2027 -14.295 27.9598 40.059 23.2027 40.0591 5.46374 GPRESSAVG: 4590000 24.7278 -13.8926 22.9449 -12.0817 27.7117 38.757 25.5111 40.5792 6.5003 TIMING: 4590000 CPU: 14513.5, 0.00317346/step Wall: 14513.5, 0.00317346/step, 0.361422 hours remaining, 235.636719 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: 4590000 3974.3754 20606.2403 14452.7337 265.0651 -202875.9160 2213.0342 0.0000 0.0000 51998.4882 -109365.9791 298.8360 -161364.4673 -109000.0402 299.8347 76.0984 98.2647 761723.5482 19.6781 19.6466 PRESSURE: 4590200 -43.0389 203.224 -114.192 203.224 278.704 42.203 -114.191 42.2025 400.93 GPRESSURE: 4590200 39.0607 190.177 -148.325 246.041 307.188 58.2577 -118.089 -36.1318 375.115 PRESSAVG: 4590200 -15.306 -2.93969 -32.6671 -2.93965 49.6245 33.6845 -32.6671 33.6845 15.8648 GPRESSAVG: 4590200 -14.8219 -4.51662 -35.1367 -5.17538 50.6611 35.2148 -32.2055 33.6361 14.306 TIMING: 4590200 CPU: 14514.1, 0.0031663/step Wall: 14514.1, 0.0031663/step, 0.360431 hours remaining, 235.636719 MB of memory in use. ENERGY: 4590200 4048.0388 20363.5748 14541.6881 248.9625 -203557.8647 2657.7049 0.0000 0.0000 52254.0491 -109443.8465 300.3047 -161697.8956 -109081.9157 299.7405 212.1984 240.4546 760479.0032 16.7278 16.7151 PRESSURE: 4590400 -45.2774 90.9527 48.1076 90.9531 -135.923 -63.2358 48.1068 -63.236 1.07364 GPRESSURE: 4590400 -31.2576 55.6393 104.951 161.831 -96.2839 -30.7574 92.157 -120.953 44.2883 PRESSAVG: 4590400 -52.3362 -10.6555 -18.5961 -10.6555 30.1522 -8.50504 -18.596 -8.50495 4.60432 GPRESSAVG: 4590400 -52.7863 -10.564 -16.9423 -10.0743 29.0128 -9.09001 -19.0469 -9.08091 5.86775 TIMING: 4590400 CPU: 14514.7, 0.00317684/step Wall: 14514.7, 0.00317684/step, 0.361454 hours remaining, 235.636719 MB of memory in use. ENERGY: 4590400 3939.7708 20545.3642 14504.7965 230.1263 -203247.1859 2478.8746 0.0000 0.0000 51720.5058 -109827.7477 297.2385 -161548.2535 -109475.1882 298.1790 -60.0421 -27.7511 761776.2756 -5.8599 -5.9686 PRESSURE: 4590600 -186.992 -12.5357 146.039 -12.5355 270.452 186.985 146.039 186.985 115.335 GPRESSURE: 4590600 -147.684 -131.513 107.122 59.662 217.42 210.579 -18.4368 154.18 210.849 PRESSAVG: 4590600 -47.1265 3.9081 27.0474 3.90813 10.2489 10.4429 27.0473 10.4429 10.5308 GPRESSAVG: 4590600 -47.4358 4.53279 28.6243 3.04098 11.372 9.7982 24.5927 10.9753 9.8091 TIMING: 4590600 CPU: 14515.4, 0.00315431/step Wall: 14515.4, 0.00315431/step, 0.358715 hours remaining, 235.636719 MB of memory in use. ENERGY: 4590600 3930.1233 20418.7732 14420.4126 255.5664 -203538.1842 2611.0318 0.0000 0.0000 51856.2224 -110046.0546 298.0184 -161902.2769 -109681.9951 297.5317 66.2653 93.5284 761372.5029 -8.7823 -8.7516 PRESSURE: 4590800 -253.889 161.482 49.7509 161.481 -323.179 302.744 49.7517 302.742 -141.375 GPRESSURE: 4590800 -193.706 182.332 95.8283 235.316 -264.463 283.618 106.681 202.307 -180.317 PRESSAVG: 4590800 30.9589 -17.3987 -3.25773 -17.3987 -35.1962 71.3901 -3.25767 71.39 10.8971 GPRESSAVG: 4590800 31.1153 -18.1713 -2.68162 -16.4184 -34.5808 72.3239 -3.82221 71.4686 10.3498 TIMING: 4590800 CPU: 14516, 0.0031645/step Wall: 14516, 0.0031645/step, 0.359698 hours remaining, 235.636719 MB of memory in use. ENERGY: 4590800 3956.3782 20577.4474 14457.1804 261.7798 -203586.6258 2554.4347 0.0000 0.0000 51707.9578 -110071.4475 297.1663 -161779.4053 -109723.2989 297.4761 -239.4810 -212.8285 761798.7395 2.2200 2.2948 PRESSURE: 4591000 -23.0286 -112.71 -214.066 -112.709 -363.28 -4.10595 -214.065 -4.10688 -289.188 GPRESSURE: 4591000 -21.4056 -155.502 -254.893 -93.578 -305.607 15.0816 -205.978 36.4972 -276.997 PRESSAVG: 4591000 -21.8108 -0.167549 -27.7211 -0.167495 -2.96947 68.0679 -27.7211 68.0678 -2.39628 GPRESSAVG: 4591000 -22.0285 1.75369 -28.8597 -2.29387 -3.26305 68.1215 -22.8831 68.0604 -2.0449 TIMING: 4591000 CPU: 14516.6, 0.00315591/step Wall: 14516.6, 0.00315591/step, 0.358546 hours remaining, 235.636719 MB of memory in use. ENERGY: 4591000 3983.6580 20422.3709 14484.8405 246.7211 -203551.1235 2553.6263 0.0000 0.0000 52051.3163 -109808.5905 299.1396 -161859.9068 -109446.8595 298.2524 -225.1653 -201.3364 762091.1202 -9.0589 -9.1122 PRESSURE: 4591200 -90.4509 -16.0344 174.37 -16.0338 -220.026 23.7065 174.371 23.7066 -37.5815 GPRESSURE: 4591200 4.56132 11.1934 203.832 -44.7401 -194.801 43.6715 144.099 60.747 -73.7799 PRESSAVG: 4591200 -29.8419 -7.63259 38.8945 -7.63262 25.4069 39.0259 38.8945 39.0259 -7.05923 GPRESSAVG: 4591200 -28.8766 -9.0057 39.6968 -4.67571 24.4157 37.3291 34.399 41.1589 -7.0748 TIMING: 4591200 CPU: 14517.3, 0.00313494/step Wall: 14517.3, 0.00313494/step, 0.355989 hours remaining, 235.636719 MB of memory in use. ENERGY: 4591200 4068.0847 20562.7970 14514.6449 239.0845 -203351.5353 2643.7857 0.0000 0.0000 51582.0660 -109741.0723 296.4428 -161323.1383 -109381.4901 298.7975 -116.0193 -88.0066 760179.8025 -3.8314 -3.8452 PRESSURE: 4591400 -140.606 -174.643 -23.2062 -174.642 91.8388 -133.298 -23.206 -133.298 102.567 GPRESSURE: 4591400 -147.195 -81.543 47.5166 -173.037 160.284 -80.572 8.11558 -191.049 103.809 PRESSAVG: 4591400 -5.71686 15.3623 59.2498 15.3623 26.4281 -6.94945 59.2499 -6.94944 5.82536 GPRESSAVG: 4591400 -6.21943 15.3239 59.5787 15.227 25.4016 -6.25899 61.4231 -11.546 7.20055 TIMING: 4591400 CPU: 14517.9, 0.00315697/step Wall: 14517.9, 0.00315697/step, 0.358316 hours remaining, 235.636719 MB of memory in use. ENERGY: 4591400 3915.1468 20408.7189 14539.0873 241.2824 -203446.9691 2515.6211 0.0000 0.0000 52001.5166 -109825.5959 298.8534 -161827.1125 -109453.0390 298.0000 17.9332 38.9662 761587.7145 8.8455 8.7942 PRESSURE: 4591600 105.365 211.974 -178.667 211.974 -41.0658 35.4724 -178.668 35.4716 -93.3099 GPRESSURE: 4591600 93.7694 196.185 -195.737 248.388 48.717 106.983 -269.439 33.0641 -75.6025 PRESSAVG: 4591600 -4.73291 -9.85017 -1.85184 -9.85014 -9.24913 51.8982 -1.85187 51.8982 -2.19628 GPRESSAVG: 4591600 -3.66135 -11.2616 -3.32744 -9.89279 -9.01557 53.3105 -2.44 52.3469 -3.07479 TIMING: 4591600 CPU: 14518.5, 0.00313112/step Wall: 14518.5, 0.00313112/step, 0.355208 hours remaining, 235.636719 MB of memory in use. ENERGY: 4591600 3951.0080 20493.8033 14430.5586 227.1960 -203077.9898 2484.2985 0.0000 0.0000 51913.8486 -109577.2767 298.3496 -161491.1253 -109216.8144 298.4997 -9.6702 22.2947 763427.5420 -5.3928 -5.2506 PRESSURE: 4591800 47.8334 102.545 -176.267 102.544 -56.8738 261.202 -176.268 261.202 252.079 GPRESSURE: 4591800 91.6607 139.824 -231.741 72.5516 86.1625 253.114 -147.168 192.751 169.15 PRESSAVG: 4591800 6.86793 14.644 24.0774 14.644 -15.23 34.0521 24.0774 34.0521 9.56783 GPRESSAVG: 4591800 5.70824 16.8338 24.8596 13.6033 -13.6968 32.9608 23.5132 37.1483 9.55013 TIMING: 4591800 CPU: 14519.1, 0.00313403/step Wall: 14519.1, 0.00313403/step, 0.355364 hours remaining, 235.636719 MB of memory in use. ENERGY: 4591800 4029.8026 20440.5830 14479.9968 245.4514 -203055.1074 2697.1533 0.0000 0.0000 51726.0614 -109436.0589 297.2704 -161162.1203 -109070.5790 298.4922 81.0128 115.6576 762867.6874 0.4019 0.5205 PRESSURE: 4592000 -5.24067 -34.1847 170.301 -34.1854 -95.9036 83.2333 170.3 83.2339 154.737 GPRESSURE: 4592000 35.34 52.8573 229.225 -32.6415 -53.3364 65.7422 60.8637 87.2904 147.232 PRESSAVG: 4592000 -25.4654 -17.5425 17.5307 -17.5425 15.6618 22.0429 17.5306 22.0429 -18.2295 GPRESSAVG: 4592000 -24.6037 -18.2163 16.3398 -16.7232 14.9291 23.3765 17.5632 18.7515 -17.8927 TIMING: 4592000 CPU: 14519.8, 0.00314825/step Wall: 14519.8, 0.00314825/step, 0.356801 hours remaining, 235.636719 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: 4592000 4042.6239 20616.9958 14515.5942 268.5970 -203263.0780 2680.9452 0.0000 0.0000 51622.1522 -109516.1696 296.6732 -161138.3218 -109170.4948 298.8267 17.8641 43.0784 762418.3670 -9.3444 -9.1891 PRESSURE: 4592200 410.006 49.5398 -53.5074 49.5406 541.419 287.008 -53.5078 287.009 3.42069 GPRESSURE: 4592200 498.827 141.182 -45.7493 7.19725 556.35 313.702 -27.7102 230.634 -35.3061 PRESSAVG: 4592200 -18.0607 -24.5611 -13.1832 -24.5611 7.05322 73.5703 -13.1832 73.5703 -0.324898 GPRESSAVG: 4592200 -17.8657 -24.7456 -12.4021 -27.2048 6.21495 72.3713 -11.8851 75.783 0.364674 TIMING: 4592200 CPU: 14520.4, 0.0031673/step Wall: 14520.4, 0.0031673/step, 0.358785 hours remaining, 235.636719 MB of memory in use. ENERGY: 4592200 4005.5055 20537.1915 14432.9921 254.3591 -203410.2048 2640.0253 0.0000 0.0000 52014.9502 -109525.1811 298.9306 -161540.1313 -109167.9070 298.5948 318.2820 339.9568 760123.4828 -3.7774 -3.7620 LDB: ============= START OF LOAD BALANCING ============== 14532.9 LDB: ============== END OF LOAD BALANCING =============== 14532.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14532.9 LDB: ============= START OF LOAD BALANCING ============== 14533.3 LDB: Largest compute 7077 load 0.036718 is 18.8% of average load 0.195593 LDB: Average compute 0.004382 is 2.2% of average load 0.195593 LDB: TIME 14533.3 LOAD: AVG 0.195593 MAX 0.214915 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.684 MB LDB: TIME 14533.3 LOAD: AVG 0.195593 MAX 0.214915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.883 MB LDB: TIME 14533.3 LOAD: AVG 0.195593 MAX 0.214915 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.883 MB LDB: ============== END OF LOAD BALANCING =============== 14533.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14533.3 PRESSURE: 4592400 44.1404 -80.312 53.4875 -80.3125 71.389 -187.326 53.4873 -187.326 -167.323 GPRESSURE: 4592400 75.6513 -39.9774 41.2938 -71.4918 24.5441 -179.599 54.0214 -166.299 -61.4877 PRESSAVG: 4592400 -10.6806 10.0368 16.5691 10.0368 15.9142 19.6616 16.5692 19.6615 14.8687 GPRESSAVG: 4592400 -10.3495 8.68581 17.9142 12.9535 16.3724 21.4638 15.3561 16.4228 14.1434 TIMING: 4592400 CPU: 14521.1, 0.00322934/step Wall: 14521.1, 0.00322934/step, 0.365633 hours remaining, 236.164062 MB of memory in use. ENERGY: 4592400 3950.5031 20400.5224 14461.5892 258.3563 -203547.3544 2641.3626 0.0000 0.0000 52282.9560 -109552.0648 300.4709 -161835.0208 -109194.2923 299.2218 -17.2646 12.9026 760574.0820 6.7008 6.7221 PRESSURE: 4592600 350.381 -11.5801 78.9089 -11.5804 -233.51 -115.831 78.9089 -115.832 91.9589 GPRESSURE: 4592600 305.862 45.8175 82.4787 37.1408 -111.704 -171.658 146.888 90.8819 111.021 PRESSAVG: 4592600 -10.6638 -19.266 18.6639 -19.266 5.59242 -14.0476 18.6639 -14.0476 3.28314 GPRESSAVG: 4592600 -11.1556 -15.8702 18.4658 -19.5889 6.33604 -14.5768 19.0149 -12.2172 3.24675 TIMING: 4592600 CPU: 14521.7, 0.00314857/step Wall: 14521.7, 0.00314857/step, 0.356313 hours remaining, 236.472656 MB of memory in use. ENERGY: 4592600 3951.4081 20571.9616 14448.8155 246.6154 -203335.0576 2657.9477 0.0000 0.0000 52104.0590 -109354.2503 299.4427 -161458.3094 -108985.5964 299.5631 69.6099 101.7261 762635.2332 -0.5961 -0.5243 PRESSURE: 4592800 271.594 -39.8266 -85.1933 -39.8264 136.354 121.529 -85.1936 121.53 77.0115 GPRESSURE: 4592800 225.153 5.73859 -107.136 19.0485 245.237 118.119 -55.3115 47.0646 103.836 PRESSAVG: 4592800 -18.8973 -27.3747 22.4414 -27.3747 -0.614761 41.9896 22.4415 41.9897 -12.9356 GPRESSAVG: 4592800 -18.94 -29.5722 22.5493 -26.1004 -0.468949 40.7226 20.8192 44.3851 -12.7989 TIMING: 4592800 CPU: 14522.3, 0.00315103/step Wall: 14522.3, 0.00315103/step, 0.356416 hours remaining, 236.472656 MB of memory in use. ENERGY: 4592800 4005.4448 20493.9382 14448.4908 257.8410 -203533.6975 2834.1308 0.0000 0.0000 52094.7425 -109399.1096 299.3892 -161493.8520 -109032.8428 299.6433 161.6532 191.4085 761468.6623 -10.8159 -10.7359 PRESSURE: 4593000 148.622 99.6665 -16.8954 99.6668 22.254 -0.513274 -16.8965 -0.514112 -139.789 GPRESSURE: 4593000 243.947 75.7632 21.1235 92.2792 39.8159 88.8205 -37.0631 24.9957 -150.806 PRESSAVG: 4593000 -15.7934 36.5057 45.9676 36.5058 26.1115 40.8786 45.9676 40.8786 0.893773 GPRESSAVG: 4593000 -15.7665 39.1587 45.8308 34.9834 25.625 41.8105 49.3811 39.8927 0.875671 TIMING: 4593000 CPU: 14522.9, 0.00314638/step Wall: 14522.9, 0.00314638/step, 0.355716 hours remaining, 236.472656 MB of memory in use. ENERGY: 4593000 4039.3794 20623.6449 14488.0876 244.1608 -203667.7415 2982.3210 0.0000 0.0000 51919.5891 -109370.5586 298.3826 -161290.1478 -109004.8140 299.6502 10.3625 44.3190 760632.6325 3.7373 3.5781 PRESSURE: 4593200 67.0751 136.861 169.664 136.86 392.319 -32.4656 169.665 -32.4661 -281.331 GPRESSURE: 4593200 90.1547 -3.38441 152.02 154.825 422.463 -112.769 153.705 27.9302 -285.694 PRESSAVG: 4593200 -37.4942 -34.6433 44.1083 -34.6433 3.03061 -6.55386 44.1083 -6.55386 -2.28317 GPRESSAVG: 4593200 -37.8073 -39.6026 43.3876 -33.2095 2.28555 -7.37564 42.0948 -8.11361 -2.0395 TIMING: 4593200 CPU: 14523.6, 0.00315745/step Wall: 14523.6, 0.00315745/step, 0.356792 hours remaining, 236.472656 MB of memory in use. ENERGY: 4593200 3955.2763 20645.1971 14449.9077 245.9177 -203865.8739 2917.7502 0.0000 0.0000 52092.4629 -109559.3619 299.3761 -161651.8248 -109195.2914 299.1469 59.3544 75.6413 761313.1240 -12.2489 -12.5204 PRESSURE: 4593400 -58.1198 -129.23 -68.8805 -129.229 92.1236 391.857 -68.8805 391.858 -182.523 GPRESSURE: 4593400 -35.3363 -131.903 -107.907 -110.075 37.929 247.971 -0.477833 356.794 -63.3225 PRESSAVG: 4593400 -112.284 3.7925 31.7662 3.79251 93.7355 43.1459 31.7662 43.1459 3.98552 GPRESSAVG: 4593400 -111.989 7.61842 32.5519 2.0213 94.2832 42.0537 32.8848 43.7344 3.52381 TIMING: 4593400 CPU: 14524.2, 0.00316667/step Wall: 14524.2, 0.00316667/step, 0.357658 hours remaining, 236.472656 MB of memory in use. ENERGY: 4593400 4043.2985 20610.4812 14395.7160 213.7110 -203314.3191 2583.7513 0.0000 0.0000 52008.6313 -109458.7299 298.8943 -161467.3612 -109091.6677 299.2843 -49.5063 -20.2432 762398.3899 -4.8543 -4.7273 PRESSURE: 4593600 -89.8737 -69.1174 42.3191 -69.1165 172.023 234.27 42.3191 234.27 -255.572 GPRESSURE: 4593600 -37.7823 -88.0803 17.3111 -4.78305 156.041 203.655 4.19845 347.992 -210.715 PRESSAVG: 4593600 -67.5444 -36.0096 -12.6006 -36.0096 56.3144 49.6748 -12.6006 49.6749 -15.616 GPRESSAVG: 4593600 -67.5672 -37.6495 -11.0023 -34.7988 57.5935 50.9576 -15.0141 49.6964 -16.49 TIMING: 4593600 CPU: 14524.8, 0.00315563/step Wall: 14524.8, 0.00315563/step, 0.356236 hours remaining, 236.472656 MB of memory in use. ENERGY: 4593600 3992.1928 20598.6189 14516.6976 238.5760 -203507.9113 2672.4660 0.0000 0.0000 51916.3541 -109573.0058 298.3640 -161489.3599 -109215.6193 299.2237 -57.8075 -30.8186 760794.9263 -8.9487 -8.8212 PRESSURE: 4593800 175.423 96.7656 -341.394 96.766 140.262 80.2789 -341.394 80.2791 116.007 GPRESSURE: 4593800 278.117 58.8074 -404.819 -17.8232 180.902 114.361 -212.784 76.1249 62.7007 PRESSAVG: 4593800 -13.7209 26.2892 32.6191 26.2892 29.1963 56.5485 32.6191 56.5484 11.0066 GPRESSAVG: 4593800 -13.5129 27.6446 32.7473 25.0734 28.0943 55.0607 33.9719 57.9309 11.6052 TIMING: 4593800 CPU: 14525.5, 0.00316323/step Wall: 14525.5, 0.00316323/step, 0.356918 hours remaining, 236.472656 MB of memory in use. ENERGY: 4593800 3931.4444 20567.0448 14511.4166 253.1585 -203740.2331 2752.3012 0.0000 0.0000 52199.9544 -109524.9132 299.9939 -161724.8676 -109158.0271 299.6476 143.8975 173.9067 761264.4747 8.8273 8.7289 PRESSURE: 4594000 212.079 -83.7725 -43.3078 -83.7725 164.43 -247.68 -43.308 -247.68 -47.9151 GPRESSURE: 4594000 103.279 -200.331 -101.61 -23.1368 292.115 -249.732 -53.6216 -213.261 16.0154 PRESSAVG: 4594000 -2.45425 -32.1737 2.8562 -32.1737 -25.302 83.363 2.85626 83.363 8.13462 GPRESSAVG: 4594000 -2.79839 -33.5334 1.21949 -30.7534 -25.6668 85.1751 1.79729 83.5935 8.71254 TIMING: 4594000 CPU: 14526.1, 0.00316914/step Wall: 14526.1, 0.00316914/step, 0.357408 hours remaining, 236.472656 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: 4594000 3896.6484 20607.3850 14349.4894 261.7741 -203686.0458 2759.8480 0.0000 0.0000 52173.2720 -109637.6290 299.8405 -161810.9010 -109272.6007 298.9659 109.5314 137.1366 761901.2890 -6.5405 -6.5842 PRESSURE: 4594200 120.401 -21.9354 163.709 -21.9357 148.112 148.41 163.71 148.409 37.4014 GPRESSURE: 4594200 187.799 -26.5097 195.39 -14.1212 178.794 93.088 131.958 107.526 27.9972 PRESSAVG: 4594200 26.4097 -9.4524 22.7559 -9.45241 -8.51784 -5.38419 22.756 -5.38422 -19.0389 GPRESSAVG: 4594200 25.4668 -8.35548 22.2235 -9.41412 -7.35941 -6.14945 21.7462 -6.25827 -19.3063 TIMING: 4594200 CPU: 14526.7, 0.00314619/step Wall: 14526.7, 0.00314619/step, 0.354645 hours remaining, 236.472656 MB of memory in use. ENERGY: 4594200 3935.4409 20515.8101 14462.2856 240.7554 -203919.0304 2963.3932 0.0000 0.0000 52079.5641 -109721.7810 299.3020 -161801.3451 -109346.4083 298.8819 101.9716 131.5302 761967.9461 -0.3824 -0.3996 PRESSURE: 4594400 139.636 181.32 -238.698 181.321 98.5826 116.863 -238.698 116.864 80.3849 GPRESSURE: 4594400 130.298 175.709 -255.217 100.196 162.691 208.43 -185.064 127.805 108.321 PRESSAVG: 4594400 -12.382 -17.7835 16.5132 -17.7835 12.014 -6.80644 16.5132 -6.80644 8.66308 GPRESSAVG: 4594400 -11.972 -19.1477 17.8115 -19.2137 10.5668 -4.51624 19.8417 -6.74856 9.84087 TIMING: 4594400 CPU: 14527.4, 0.00315749/step Wall: 14527.4, 0.00315749/step, 0.355743 hours remaining, 236.472656 MB of memory in use. ENERGY: 4594400 4008.7850 20688.4324 14472.4738 247.1409 -203623.2664 2726.0012 0.0000 0.0000 51786.4703 -109693.9628 297.6176 -161480.4331 -109323.3548 298.8503 106.2010 133.7700 759806.9080 2.7650 2.8119 PRESSURE: 4594600 168.578 109.012 -17.9155 109.012 -35.7221 88.4544 -17.9154 88.455 276.189 GPRESSURE: 4594600 181.483 81.4286 70.6909 22.2534 78.0093 0.344637 -31.8595 87.4512 250.595 PRESSAVG: 4594600 -18.784 44.5208 -14.3753 44.5208 -4.14259 26.7139 -14.3752 26.7137 -2.86627 GPRESSAVG: 4594600 -19.2353 44.655 -13.6469 44.7184 -1.64957 24.1304 -15.027 24.0269 -4.8374 TIMING: 4594600 CPU: 14528, 0.00315984/step Wall: 14528, 0.00315984/step, 0.355833 hours remaining, 236.542969 MB of memory in use. ENERGY: 4594600 3919.7819 20677.1507 14487.0986 264.4937 -203481.8735 2741.6270 0.0000 0.0000 51853.6171 -109538.1045 298.0034 -161391.7215 -109186.6900 298.7863 136.3481 170.0290 761890.6797 -8.5976 -8.5741 PRESSURE: 4594800 -110.659 -70.9267 -35.6478 -70.9254 -72.4658 -116.147 -35.6477 -116.147 140.133 GPRESSURE: 4594800 -132.011 -84.3823 -44.0549 -27.7658 -22.5843 -95.6062 -69.8765 -115.952 195.608 PRESSAVG: 4594800 38.2444 -39.9283 20.5498 -39.9283 -55.9218 25.9273 20.5497 25.9273 17.8431 GPRESSAVG: 4594800 37.5406 -39.1624 18.415 -36.6241 -56.0338 26.4008 19.2719 29.4691 18.4555 TIMING: 4594800 CPU: 14528.6, 0.00317192/step Wall: 14528.6, 0.00317192/step, 0.357017 hours remaining, 236.746094 MB of memory in use. ENERGY: 4594800 3958.1542 20683.3539 14499.5942 237.1428 -203858.9555 2891.4635 0.0000 0.0000 52180.2796 -109408.9672 299.8808 -161589.2468 -109032.9964 299.3724 -14.3307 13.6710 762588.4955 0.0552 -0.0126 PRESSURE: 4595000 -326.709 41.5242 -75.7164 41.5239 113.914 -76.875 -75.7153 -76.8761 -166.353 GPRESSURE: 4595000 -208.832 115.126 -7.98375 2.97823 114.066 -40.8398 -66.7519 -69.5579 -211.196 PRESSAVG: 4595000 4.43136 54.527 5.32055 54.527 -10.8465 -30.0024 5.32048 -30.0024 -9.83463 GPRESSAVG: 4595000 4.94666 55.34 5.46191 54.1407 -12.0663 -29.813 6.44079 -30.9771 -9.45965 TIMING: 4595000 CPU: 14529.3, 0.00316378/step Wall: 14529.3, 0.00316378/step, 0.355925 hours remaining, 236.746094 MB of memory in use. ENERGY: 4595000 4025.8962 20560.7679 14447.9475 256.6560 -203616.3256 2803.1674 0.0000 0.0000 52035.3599 -109486.5307 299.0479 -161521.8906 -109122.8247 299.2035 -126.3827 -101.9873 764048.5418 -5.4166 -5.5264 PRESSURE: 4595200 239.623 48.0717 12.7869 48.0712 167.605 50.0953 12.7879 50.0956 251.282 GPRESSURE: 4595200 208.719 34.8918 -52.6936 -6.9525 270.551 -1.64338 18.4742 101.045 268.694 PRESSAVG: 4595200 -24.2992 49.6638 4.72583 49.6638 -5.53063 51.9744 4.72587 51.9744 -32.1795 GPRESSAVG: 4595200 -24.4586 50.8176 4.18724 46.539 -5.79044 51.2342 5.45312 51.0457 -31.9018 TIMING: 4595200 CPU: 14529.9, 0.00315408/step Wall: 14529.9, 0.00315408/step, 0.354659 hours remaining, 236.746094 MB of memory in use. ENERGY: 4595200 4028.7525 20574.9097 14441.6722 242.8539 -203599.7307 3032.8637 0.0000 0.0000 51775.7434 -109502.9354 297.5559 -161278.6788 -109134.9966 299.5954 219.5033 249.3214 761573.3797 -20.6698 -20.7169 PRESSURE: 4595400 267.643 -158.281 -107.655 -158.28 167.372 115.258 -107.655 115.259 284.913 GPRESSURE: 4595400 283.825 -90.2463 -70.4553 -167.765 221.879 23.7243 18.1907 70.7046 295.337 PRESSAVG: 4595400 29.7474 -36.0073 -1.1176 -36.0073 -63.1159 17.2047 -1.11759 17.2046 18.8425 GPRESSAVG: 4595400 30.6009 -37.0376 1.21598 -35.7301 -63.5728 18.9116 -3.0809 17.5227 18.6381 TIMING: 4595400 CPU: 14530.5, 0.00318941/step Wall: 14530.5, 0.00318941/step, 0.358454 hours remaining, 236.746094 MB of memory in use. ENERGY: 4595400 3912.1182 20690.4432 14463.4579 259.1317 -203910.9260 2875.7293 0.0000 0.0000 52032.0876 -109677.9579 299.0291 -161710.0456 -109322.4545 298.9488 239.9760 267.0136 762885.4072 -4.8420 -4.7780 PRESSURE: 4595600 -138.877 -190.806 107.739 -190.806 69.2051 40.5436 107.74 40.5444 -310.599 GPRESSURE: 4595600 -91.0947 -144.007 151.615 -18.0709 77.2814 20.4605 118.308 61.7517 -271.933 PRESSAVG: 4595600 -8.19791 20.4061 0.321679 20.4061 -36.684 27.8694 0.32169 27.8694 -4.18598 GPRESSAVG: 4595600 -7.88204 20.161 0.920925 21.2906 -36.7326 24.7967 0.357206 28.8587 -4.22155 TIMING: 4595600 CPU: 14531.2, 0.00317499/step Wall: 14531.2, 0.00317499/step, 0.356658 hours remaining, 236.746094 MB of memory in use. ENERGY: 4595600 3987.4478 20666.7071 14434.0304 226.6479 -203367.9298 2630.1482 0.0000 0.0000 52007.1613 -109415.7871 298.8859 -161422.9483 -109049.9856 299.5375 -126.7570 -95.2486 762165.9806 -16.3560 -16.2787 PRESSURE: 4595800 303.562 -212.584 158.223 -212.585 431.233 -233.821 158.223 -233.822 368.594 GPRESSURE: 4595800 375.816 -175.895 147.834 -74.0395 475.463 -162.254 42.0298 -177.924 347.942 PRESSAVG: 4595800 51.0652 -64.3029 8.3222 -64.303 -8.42771 40.6458 8.32217 40.6458 -12.1728 GPRESSAVG: 4595800 51.0331 -64.4275 7.38243 -63.5197 -7.60521 43.3177 8.16138 39.2346 -12.5225 TIMING: 4595800 CPU: 14531.8, 0.00318082/step Wall: 14531.8, 0.00318082/step, 0.357135 hours remaining, 236.746094 MB of memory in use. ENERGY: 4595800 3877.1679 20638.5737 14472.6282 259.9156 -204128.8194 3221.0286 0.0000 0.0000 52170.4372 -109489.0682 299.8242 -161659.5054 -109129.2438 299.7325 367.7962 399.7401 760090.0035 10.1549 10.3018 PRESSURE: 4596000 179.5 -30.6352 49.0207 -30.6354 143.199 93.8919 49.0204 93.8904 93.1813 GPRESSURE: 4596000 170.375 -115.097 96.9021 78.5631 189.366 55.884 -33.828 -141.58 134.501 PRESSAVG: 4596000 -9.28315 2.9823 41.2603 2.98223 13.2663 9.63838 41.2603 9.63844 25.9757 GPRESSAVG: 4596000 -9.89647 1.75645 39.8209 3.77872 13.166 9.98258 42.5051 10.7137 26.5654 TIMING: 4596000 CPU: 14532.4, 0.00316109/step Wall: 14532.4, 0.00316109/step, 0.354745 hours remaining, 236.746094 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: 4596000 4035.0060 20527.8208 14510.0739 241.5417 -203532.4739 2612.5349 0.0000 0.0000 52017.1532 -109588.3434 298.9433 -161605.4966 -109228.8346 299.1861 138.6270 164.7471 760925.2148 9.9863 9.9450 PRESSURE: 4596200 -343.92 -40.3236 -171.358 -40.3241 68.0523 -106.043 -171.359 -106.042 -142.038 GPRESSURE: 4596200 -316.769 -104.472 -130.16 70.3601 113.489 -126.006 -246.639 -73.0441 -123.22 PRESSAVG: 4596200 -51.094 -6.87152 -45.3753 -6.87151 46.9971 -49.4167 -45.3754 -49.4167 3.70343 GPRESSAVG: 4596200 -52.1318 -4.80509 -44.2355 -8.12596 46.6308 -48.427 -43.995 -50.3935 4.30191 TIMING: 4596200 CPU: 14533.1, 0.00317997/step Wall: 14533.1, 0.00317997/step, 0.356686 hours remaining, 236.746094 MB of memory in use. ENERGY: 4596200 4074.6275 20606.7911 14507.9867 270.9986 -203851.8197 2882.4240 0.0000 0.0000 51810.2184 -109698.7733 297.7540 -161508.9917 -109336.6854 299.3486 -139.3020 -108.8333 760774.5376 -0.1311 -0.3997 LDB: ============= START OF LOAD BALANCING ============== 14545.6 LDB: ============== END OF LOAD BALANCING =============== 14545.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14545.6 LDB: ============= START OF LOAD BALANCING ============== 14545.9 LDB: Largest compute 7077 load 0.034081 is 17.4% of average load 0.195617 LDB: Average compute 0.004366 is 2.2% of average load 0.195617 LDB: TIME 14545.9 LOAD: AVG 0.195617 MAX 0.215547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.68 MB LDB: TIME 14545.9 LOAD: AVG 0.195617 MAX 0.215547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: TIME 14545.9 LOAD: AVG 0.195617 MAX 0.215547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.68 MB LDB: ============== END OF LOAD BALANCING =============== 14545.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14545.9 PRESSURE: 4596400 -151.585 -53.3909 166.011 -53.391 195.196 48.3946 166.012 48.394 12.8572 GPRESSURE: 4596400 -118.537 -136.331 259.696 -52.0129 290.133 42.692 117.728 121.944 -27.3864 PRESSAVG: 4596400 3.84925 -18.1729 -18.8579 -18.1729 32.3604 -11.6915 -18.8579 -11.6915 -2.0802 GPRESSAVG: 4596400 4.68483 -19.5222 -20.0087 -17.0494 33.8191 -12.8551 -20.6183 -10.6919 -4.31467 TIMING: 4596400 CPU: 14533.7, 0.00325227/step Wall: 14533.7, 0.00325227/step, 0.364616 hours remaining, 236.222656 MB of memory in use. ENERGY: 4596400 4049.4036 20453.1692 14444.8991 245.7433 -203768.4483 2898.9621 0.0000 0.0000 51919.3567 -109756.9143 298.3813 -161676.2710 -109391.9575 299.1789 18.8227 48.0699 760597.6135 11.3765 11.3964 PRESSURE: 4596600 -97.0579 33.5347 1.32009 33.5347 101.242 -93.0493 1.3195 -93.0481 86.4475 GPRESSURE: 4596600 -54.2184 -127.565 -94.5221 120.565 175.318 -116.005 7.47397 -76.3299 61.4624 PRESSAVG: 4596600 7.52929 29.823 18.0429 29.8229 26.4754 -19.8033 18.0429 -19.8032 7.91712 GPRESSAVG: 4596600 8.54819 29.7591 19.3987 30.0459 25.0406 -20.1647 18.3653 -20.7405 8.12803 TIMING: 4596600 CPU: 14534.4, 0.0031719/step Wall: 14534.4, 0.0031719/step, 0.355429 hours remaining, 236.222656 MB of memory in use. ENERGY: 4596600 3974.2523 20479.4184 14497.1448 217.0710 -203575.5011 2577.7035 0.0000 0.0000 52059.8502 -109770.0609 299.1887 -161829.9111 -109411.5949 299.0772 30.2107 60.8539 760213.7888 13.9739 13.9056 PRESSURE: 4596800 75.1 142.033 154.758 142.032 -31.775 -51.131 154.758 -51.1312 324.848 GPRESSURE: 4596800 172.023 192.773 103.475 178.66 -69.955 -33.7068 150.803 60.1919 351.818 PRESSAVG: 4596800 7.25388 58.5892 14.8756 58.5892 20.049 -22.279 14.8756 -22.279 6.30002 GPRESSAVG: 4596800 6.85054 58.6822 13.6723 55.2403 19.8066 -21.7297 13.988 -22.735 6.80489 TIMING: 4596800 CPU: 14535, 0.00315944/step Wall: 14535, 0.00315944/step, 0.353858 hours remaining, 236.261719 MB of memory in use. ENERGY: 4596800 3954.8887 20486.1609 14376.9604 265.2647 -203431.1229 2378.3350 0.0000 0.0000 52054.1900 -109915.3231 299.1561 -161969.5132 -109551.3188 298.7239 122.7242 151.2953 760938.5419 11.2010 11.1540 PRESSURE: 4597000 -232.021 30.3546 68.8657 30.3553 -273.397 -247.379 68.8652 -247.378 30.6545 GPRESSURE: 4597000 -260.25 31.0756 121.075 119.8 -192.729 -272.698 75.5082 -125.417 62.5981 PRESSAVG: 4597000 -20.1769 23.8218 4.6064 23.8218 14.7012 1.3273 4.6064 1.32739 11.1652 GPRESSAVG: 4597000 -21.2039 25.2067 5.60243 25.9915 15.9152 0.920519 4.30186 3.1144 10.582 TIMING: 4597000 CPU: 14535.6, 0.00315979/step Wall: 14535.6, 0.00315979/step, 0.353721 hours remaining, 236.398438 MB of memory in use. ENERGY: 4597000 3989.1021 20527.2965 14432.7693 247.8842 -203539.9851 2495.2818 0.0000 0.0000 51781.8108 -110065.8405 297.5908 -161847.6513 -109704.6499 298.3515 -158.2544 -130.1270 759776.3245 1.8965 1.7644 PRESSURE: 4597200 -76.4311 -111.71 214.055 -111.71 -112.28 -94.5534 214.055 -94.5531 84.7688 GPRESSURE: 4597200 -46.1175 -144.198 197.391 -148.925 -61.8807 -34.184 118.51 -61.6614 93.8715 PRESSAVG: 4597200 -19.2245 36.3555 64.5311 36.3555 13.7629 4.12922 64.531 4.1291 -13.0175 GPRESSAVG: 4597200 -19.5908 37.0025 64.8236 33.1678 12.8843 3.11516 66.2539 3.70723 -11.4927 TIMING: 4597200 CPU: 14536.3, 0.00314169/step Wall: 14536.3, 0.00314169/step, 0.35152 hours remaining, 236.398438 MB of memory in use. ENERGY: 4597200 3966.2532 20547.7187 14417.5932 249.6339 -203226.6055 2385.7581 0.0000 0.0000 51841.2580 -109818.3905 297.9324 -161659.6485 -109459.1624 298.1273 -34.6475 -4.7089 759259.1970 -6.1597 -6.0664 PRESSURE: 4597400 -501.852 5.67179 208.904 5.67119 -151.903 4.20832 208.904 4.20798 -249.84 GPRESSURE: 4597400 -414.186 40.1032 231.463 27.8158 -266.116 28.3654 46.1463 -168.84 -119.213 PRESSAVG: 4597400 -68.6758 13.3694 29.3461 13.3695 78.071 -30.0095 29.3461 -30.0095 -0.679938 GPRESSAVG: 4597400 -67.4968 12.3513 28.9931 15.8106 76.5329 -28.6134 26.5029 -30.8032 -0.520121 TIMING: 4597400 CPU: 14536.9, 0.00316236/step Wall: 14536.9, 0.00316236/step, 0.353657 hours remaining, 236.398438 MB of memory in use. ENERGY: 4597400 3975.3199 20417.3979 14450.1941 258.8425 -203361.2348 2294.6217 0.0000 0.0000 52030.3780 -109934.4806 299.0193 -161964.8586 -109585.1938 298.2367 -301.1984 -266.5051 759243.7286 2.9051 2.8387 PRESSURE: 4597600 -202.071 -220.745 74.069 -220.746 -405.025 -137.43 74.0695 -137.43 336.152 GPRESSURE: 4597600 -133.293 -269.451 77.5216 -297.296 -357.098 -193.196 -45.7863 -164.606 310.53 PRESSAVG: 4597600 -36.5106 18.4198 -57.4427 18.4198 57.0762 55.6643 -57.4427 55.6643 -2.26054 GPRESSAVG: 4597600 -37.7651 18.8867 -58.2013 15.829 58.472 54.6626 -56.2338 55.2577 -1.7942 TIMING: 4597600 CPU: 14537.5, 0.00317057/step Wall: 14537.5, 0.00317057/step, 0.354399 hours remaining, 236.398438 MB of memory in use. ENERGY: 4597600 4012.3240 20406.2144 14459.5987 244.3103 -203094.7976 2373.4033 0.0000 0.0000 51645.9148 -109953.0321 296.8098 -161598.9470 -109585.8299 298.6488 -90.3147 -59.9537 760936.5555 6.1017 6.3042 PRESSURE: 4597800 -153.375 128.958 -226.895 128.958 -35.0347 292.461 -226.896 292.461 554.215 GPRESSURE: 4597800 -80.4271 154.454 -243.314 156.966 17.414 337.502 -63.5666 327.311 518.619 PRESSAVG: 4597800 3.66548 4.11279 -13.9854 4.11277 54.516 31.9676 -13.9854 31.9675 -15.2978 GPRESSAVG: 4597800 3.16857 2.49782 -13.9051 7.53197 55.1126 33.3646 -12.6663 31.8605 -15.7045 TIMING: 4597800 CPU: 14538.2, 0.00317721/step Wall: 14538.2, 0.00317721/step, 0.354965 hours remaining, 236.398438 MB of memory in use. ENERGY: 4597800 3965.4912 20545.4703 14450.5488 231.6429 -203730.6770 2635.8612 0.0000 0.0000 51995.6240 -109906.0387 298.8196 -161901.6627 -109540.5103 298.2395 121.9348 151.8687 759705.2902 14.2946 14.1922 PRESSURE: 4598000 -264.911 -54.6864 315.923 -54.6879 -313.67 140.531 315.922 140.53 -268.598 GPRESSURE: 4598000 -217.698 -33.098 398.693 -115.974 -259.125 126.715 176.581 96.5165 -281.197 PRESSAVG: 4598000 -47.5005 -2.06322 -25.7007 -2.0632 53.1425 80.7616 -25.7007 80.7616 6.32262 GPRESSAVG: 4598000 -46.6326 -0.55987 -25.1622 -3.59799 51.8063 80.3421 -25.4266 80.5441 6.01791 TIMING: 4598000 CPU: 14538.8, 0.00316463/step Wall: 14538.8, 0.00316463/step, 0.353384 hours remaining, 236.398438 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: 4598000 4056.5105 20462.1825 14437.1345 243.9375 -203089.2358 2342.9556 0.0000 0.0000 51691.5663 -109854.9490 297.0721 -161546.5152 -109507.3066 298.3067 -282.3929 -252.6733 760457.2125 3.9882 3.7306 PRESSURE: 4598200 -125.452 -315.244 -35.1979 -315.243 -89.806 -28.7531 -35.1982 -28.7537 -201.89 GPRESSURE: 4598200 -39.352 -318.334 -126.24 -209.563 -181.783 71.4986 103.36 -52.5533 -126.368 PRESSAVG: 4598200 -16.1611 45.3093 -4.91627 45.3093 -20.1319 5.85723 -4.91627 5.85719 -25.6485 GPRESSAVG: 4598200 -16.5759 45.2395 -5.7379 43.855 -20.5187 5.59018 -5.65189 5.53964 -25.5037 TIMING: 4598200 CPU: 14539.4, 0.00316525/step Wall: 14539.4, 0.00316525/step, 0.353277 hours remaining, 236.398438 MB of memory in use. ENERGY: 4598200 3962.1565 20398.2393 14464.0062 248.1810 -203641.0450 2575.8147 0.0000 0.0000 52196.8166 -109795.8308 299.9758 -161992.6474 -109430.0128 298.1177 -139.0493 -115.8344 760919.9139 -20.6471 -20.8661 PRESSURE: 4598400 -211.671 -92.8285 -318.546 -92.8281 -9.22973 278.95 -318.546 278.948 133.677 GPRESSURE: 4598400 -165.677 -174.533 -231.508 -112.224 24.3149 332.424 -206.858 125.41 118.996 PRESSAVG: 4598400 -4.11362 -27.1181 13.0115 -27.1181 9.60787 69.2165 13.0115 69.2165 8.50249 GPRESSAVG: 4598400 -6.08722 -26.4387 14.7783 -26.5639 11.1633 68.327 14.9173 69.8503 8.59105 TIMING: 4598400 CPU: 14540.1, 0.00316512/step Wall: 14540.1, 0.00316512/step, 0.353087 hours remaining, 236.398438 MB of memory in use. ENERGY: 4598400 3963.1100 20497.5336 14498.3534 241.3763 -203260.4951 2467.9183 0.0000 0.0000 51859.7932 -109732.4102 298.0389 -161592.2034 -109372.1630 298.1164 -29.0744 -7.4554 759950.3021 4.6656 4.5557 PRESSURE: 4598600 -101.872 -20.0805 -28.0786 -20.0808 447.781 -160.315 -28.0787 -160.315 383.766 GPRESSURE: 4598600 -15.6227 28.2706 -100.275 -36.6479 406.969 -146.904 -193.422 -129.559 446.814 PRESSAVG: 4598600 0.697305 -47.9719 1.26054 -47.9719 19.3826 15.0864 1.26055 15.0865 15.8263 GPRESSAVG: 4598600 2.75552 -48.7259 -0.263373 -46.2136 17.5149 16.4443 0.50141 13.1931 15.2113 TIMING: 4598600 CPU: 14540.7, 0.00315028/step Wall: 14540.7, 0.00315029/step, 0.351257 hours remaining, 236.601562 MB of memory in use. ENERGY: 4598600 3941.3561 20450.3511 14454.7162 242.1652 -203488.0410 2737.4632 0.0000 0.0000 51958.4982 -109703.4910 298.6062 -161661.9892 -109347.3895 298.5191 243.2249 279.3869 759381.3471 11.9687 11.8273 PRESSURE: 4598800 147.648 -268.972 -6.38802 -268.973 -388.631 -149.931 -6.38778 -149.931 205.596 GPRESSURE: 4598800 149.049 -201.728 -29.7146 -215.403 -286.112 -109.249 16.8413 -69.3914 204.571 PRESSAVG: 4598800 -65.1228 1.5785 34.9209 1.57848 30.9992 -9.67331 34.9209 -9.67326 -7.34236 GPRESSAVG: 4598800 -66.1498 0.561256 34.8034 -0.301358 32.5465 -11.721 34.3093 -5.28013 -7.41076 TIMING: 4598800 CPU: 14541.3, 0.00317606/step Wall: 14541.3, 0.00317606/step, 0.353954 hours remaining, 236.601562 MB of memory in use. ENERGY: 4598800 3910.4906 20246.2029 14433.8698 241.0373 -203318.8740 2649.8978 0.0000 0.0000 52106.9573 -109730.4183 299.4594 -161837.3756 -109364.1131 298.4264 -11.7960 22.5027 760744.1311 -13.8220 -13.6713 PRESSURE: 4599000 54.2271 46.2628 -143.469 46.2621 51.7724 -37.2947 -143.469 -37.2946 -212.022 GPRESSURE: 4599000 83.5931 54.972 -83.6272 36.8005 56.0747 -99.8701 -170.205 -69.8558 -142.74 PRESSAVG: 4599000 -27.2184 -36.6306 29.6159 -36.6306 51.1628 46.4653 29.6158 46.4653 -18.8396 GPRESSAVG: 4599000 -26.5609 -36.1481 29.8273 -36.3636 50.8718 47.0122 27.6605 44.4779 -19.4613 TIMING: 4599000 CPU: 14542, 0.00319061/step Wall: 14542, 0.00319061/step, 0.355398 hours remaining, 236.601562 MB of memory in use. ENERGY: 4599000 3931.5113 20451.3674 14464.3992 238.3368 -202885.1458 2272.8625 0.0000 0.0000 52092.7729 -109433.8956 299.3779 -161526.6685 -109067.7947 298.4665 -35.3409 -1.0239 762112.4993 1.7016 1.6165 PRESSURE: 4599200 36.1462 50.7733 61.8925 50.7721 -110.054 72.3356 61.8923 72.3361 77.833 GPRESSURE: 4599200 43.3887 35.866 60.885 16.369 -121.708 35.5699 25.8206 57.9744 190.06 PRESSAVG: 4599200 -6.31596 53.0347 50.8756 53.0347 -58.3342 -13.9443 50.8756 -13.9443 -5.58086 GPRESSAVG: 4599200 -8.01164 53.3945 50.0896 55.6357 -58.3753 -13.2117 52.5283 -15.68 -4.49892 TIMING: 4599200 CPU: 14542.6, 0.00317138/step Wall: 14542.6, 0.00317138/step, 0.35308 hours remaining, 236.601562 MB of memory in use. ENERGY: 4599200 3948.0538 20540.4810 14430.9179 249.2176 -202953.5495 2529.1059 0.0000 0.0000 51855.8726 -109399.9007 298.0164 -161255.7733 -109040.0104 299.1542 1.3084 37.2470 761931.1608 -23.4103 -23.6286 PRESSURE: 4599400 137.61 61.6768 29.7886 61.6779 -130.674 -108.083 29.79 -108.082 -104.517 GPRESSURE: 4599400 213.163 81.5783 8.37093 25.9123 -129.589 -45.1811 10.4746 -199.03 -92.3485 PRESSAVG: 4599400 3.06657 9.42322 -14.6915 9.42321 -4.69501 -3.31756 -14.6916 -3.31766 0.254172 GPRESSAVG: 4599400 3.80679 9.52692 -13.6132 6.27556 -5.93547 -3.13846 -13.7575 -2.06099 0.75477 TIMING: 4599400 CPU: 14543.2, 0.00316119/step Wall: 14543.2, 0.00316119/step, 0.35177 hours remaining, 236.601562 MB of memory in use. ENERGY: 4599400 3964.0475 20647.6456 14454.4212 230.6794 -203024.3215 2432.8079 0.0000 0.0000 51879.7925 -109414.9273 298.1539 -161294.7199 -109054.1680 299.0896 -32.5268 -2.9248 761593.6188 -0.4581 -0.4580 PRESSURE: 4599600 101.583 273.222 18.0444 273.221 -188.694 93.5281 18.0441 93.5285 44.5171 GPRESSURE: 4599600 97.1716 227.593 35.4664 247.546 -108.054 84.5981 -92.4766 68.9655 44.7565 PRESSAVG: 4599600 40.469 25.2122 -54.1715 25.2123 -12.1597 1.76052 -54.1715 1.76056 6.95059 GPRESSAVG: 4599600 40.4903 26.2311 -54.3259 26.1772 -11.3506 1.53357 -54.797 0.00183649 5.6579 TIMING: 4599600 CPU: 14543.9, 0.00316628/step Wall: 14543.9, 0.00316628/step, 0.352161 hours remaining, 236.601562 MB of memory in use. ENERGY: 4599600 3952.1492 20475.8511 14466.7690 246.0139 -202951.6719 2425.7058 0.0000 0.0000 51988.5830 -109396.5998 298.7791 -161385.1827 -109042.6961 299.5037 -14.1980 11.2914 760330.0822 11.7533 11.5992 PRESSURE: 4599800 -35.6534 -60.895 15.8354 -60.8963 -392.996 -53.3692 15.8349 -53.3692 117.184 GPRESSURE: 4599800 -69.4004 -28.7179 -43.1093 -71.7389 -230.87 69.351 -26.0391 64.8564 86.9778 PRESSAVG: 4599800 -19.1514 3.54487 -59.4763 3.54486 -16.0444 -80.3397 -59.4763 -80.3396 -1.13997 GPRESSAVG: 4599800 -18.9136 0.0582614 -59.681 4.83806 -16.2803 -81.1642 -61.2742 -78.4555 -1.10006 TIMING: 4599800 CPU: 14544.5, 0.00317615/step Wall: 14544.5, 0.00317615/step, 0.353082 hours remaining, 236.601562 MB of memory in use. ENERGY: 4599800 3970.4353 20324.7724 14519.2348 239.9256 -202759.2854 2189.6588 0.0000 0.0000 51940.0864 -109575.1722 298.5004 -161515.2586 -109217.1176 299.7428 -103.8220 -71.0974 761972.7241 -12.1119 -12.0980 PRESSURE: 4600000 -36.7923 -60.9636 -156.353 -60.9641 25.6385 -5.43968 -156.353 -5.43971 415.404 GPRESSURE: 4600000 42.7706 68.2006 -134.327 -106.376 127.246 -8.63388 -60.5173 -7.81187 327.582 PRESSAVG: 4600000 2.54661 18.2925 -44.8586 18.2925 17.7425 -35.5677 -44.8586 -35.5677 4.57715 GPRESSAVG: 4600000 2.24287 19.5525 -45.3912 17.2091 18.5927 -34.451 -42.5899 -34.7441 4.00486 TIMING: 4600000 CPU: 14545.1, 0.00314949/step Wall: 14545.1, 0.00314949/step, 0.349943 hours remaining, 236.601562 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: 4600000 3932.4010 20354.4112 14512.6765 266.5435 -203436.7574 2568.1511 0.0000 0.0000 52119.8412 -109682.7329 299.5334 -161802.5741 -109326.3949 298.8519 134.7501 165.8663 761765.3065 8.2887 8.2801 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.1.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 81.7416 102.459 138.542 102.458 -219.162 -169.711 138.542 -169.711 112.586 GPRESSURE: 4600200 29.8296 179.875 77.1479 68.2046 -99.2255 -209.319 121.849 -250.93 141.177 PRESSAVG: 4600200 -31.6835 16.2398 -31.3466 16.2398 13.2748 5.08051 -31.3466 5.08051 -20.8854 GPRESSAVG: 4600200 -31.4339 18.9938 -30.214 15.7153 13.568 3.75414 -33.9473 5.74123 -21.0774 TIMING: 4600200 CPU: 14545.8, 0.00326068/step Wall: 14545.8, 0.00326068/step, 0.362117 hours remaining, 236.726562 MB of memory in use. ENERGY: 4600200 3932.8303 20266.6892 14521.6481 249.6756 -203408.5012 2725.5950 0.0000 0.0000 51964.0165 -109748.0466 298.6379 -161712.0631 -109383.7508 298.0742 -8.2782 23.9270 760656.1134 -13.0981 -12.9811 LDB: ============= START OF LOAD BALANCING ============== 14558.3 LDB: ============== END OF LOAD BALANCING =============== 14558.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14558.3 LDB: ============= START OF LOAD BALANCING ============== 14558.6 LDB: Largest compute 7029 load 0.032262 is 16.5% of average load 0.195568 LDB: Average compute 0.004397 is 2.2% of average load 0.195568 LDB: TIME 14558.6 LOAD: AVG 0.195568 MAX 0.216952 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.617 MB LDB: TIME 14558.6 LOAD: AVG 0.195568 MAX 0.216952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: TIME 14558.6 LOAD: AVG 0.195568 MAX 0.216952 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.82 MB LDB: ============== END OF LOAD BALANCING =============== 14558.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14558.6 PRESSURE: 4600400 -118.369 32.5957 -52.3556 32.5951 -576.757 26.2872 -52.3559 26.2883 1.36698 GPRESSURE: 4600400 -120.839 -118.892 -65.6428 73.7673 -579.325 66.0029 -79.5649 -85.0754 93.1882 PRESSAVG: 4600400 21.1247 -1.40851 -19.9215 -1.40854 -25.4179 -45.5787 -19.9215 -45.5788 11.9611 GPRESSAVG: 4600400 22.2507 -1.93271 -20.1767 -2.35977 -26.5056 -46.1309 -18.4792 -45.8488 11.9629 TIMING: 4600400 CPU: 14546.4, 0.00322004/step Wall: 14546.4, 0.00322004/step, 0.357425 hours remaining, 236.281250 MB of memory in use. ENERGY: 4600400 3978.0764 20329.9971 14498.4331 254.1084 -203324.4282 2446.0298 0.0000 0.0000 51966.6237 -109851.1597 298.6529 -161817.7833 -109496.5700 298.1765 -231.2530 -202.3252 761886.9197 2.5559 2.5693 PRESSURE: 4600600 16.5483 191.378 -77.8696 191.379 -75.9527 -29.1457 -77.8701 -29.1458 -370.094 GPRESSURE: 4600600 81.6727 117.168 -93.9678 69.482 -46.7696 -36.6702 -92.6928 116.884 -370.372 PRESSAVG: 4600600 57.7379 -0.509264 -27.215 -0.509274 -71.1106 39.7684 -27.215 39.7684 -2.72305 GPRESSAVG: 4600600 57.5233 -1.2237 -28.7761 1.02674 -71.2816 40.8413 -26.1088 39.56 -2.7093 TIMING: 4600600 CPU: 14547, 0.00313754/step Wall: 14547, 0.00313754/step, 0.348092 hours remaining, 236.281250 MB of memory in use. ENERGY: 4600600 4000.3506 20478.4253 14485.8141 243.8896 -203534.1605 2492.0445 0.0000 0.0000 52058.6189 -109775.0175 299.1816 -161833.6364 -109423.6803 298.6047 -143.1662 -111.8231 760974.8401 -5.3653 -5.4892 PRESSURE: 4600800 -50.2705 -73.4134 142.159 -73.4138 448.753 -84.4456 142.16 -84.4459 234.054 GPRESSURE: 4600800 85.7544 12.0719 250.554 -98.9924 336.054 6.986 93.2486 -66.4849 290.283 PRESSAVG: 4600800 -6.0632 -1.27525 14.3296 -1.27519 -20.903 26.0721 14.3297 26.0722 -3.62749 GPRESSAVG: 4600800 -6.23381 0.453224 13.9584 -0.725638 -19.9989 27.1444 13.9023 25.4366 -4.2881 TIMING: 4600800 CPU: 14547.7, 0.00316849/step Wall: 14547.7, 0.00316849/step, 0.35135 hours remaining, 236.320312 MB of memory in use. ENERGY: 4600800 4001.3076 20491.6709 14480.4846 251.7256 -203698.6008 2774.1250 0.0000 0.0000 52077.1035 -109622.1836 299.2878 -161699.2871 -109254.0139 299.0132 210.8454 237.3640 761102.4900 -10.1979 -10.1736 PRESSURE: 4601000 26.7743 206.06 -22.0608 206.06 205.7 -169.5 -22.0606 -169.499 467.881 GPRESSURE: 4601000 66.9628 125.444 4.06234 197.546 316.338 -159.505 -80.9784 -163.354 399.207 PRESSAVG: 4601000 16.6658 19.9063 -34.7794 19.9064 5.53103 1.49208 -34.7794 1.49211 -8.58672 GPRESSAVG: 4601000 17.5767 19.5381 -33.3438 21.4181 5.04897 2.5964 -36.3999 0.330804 -9.08553 TIMING: 4601000 CPU: 14548.3, 0.00316873/step Wall: 14548.3, 0.00316873/step, 0.351201 hours remaining, 236.320312 MB of memory in use. ENERGY: 4601000 3921.8418 20662.7255 14514.2010 240.7682 -203817.2256 2751.9356 0.0000 0.0000 52225.8804 -109499.8731 300.1429 -161725.7535 -109141.6372 299.0622 233.4520 260.8358 761269.5398 4.5367 4.5134 PRESSURE: 4601200 132.811 -211.963 57.2192 -211.962 -31.6265 70.7638 57.2192 70.7642 231.645 GPRESSURE: 4601200 82.469 -126.904 173.754 -153.467 62.372 71.7705 11.862 -84.6164 274.181 PRESSAVG: 4601200 -19.2559 27.6844 -3.21822 27.6844 38.0898 -31.9793 -3.2182 -31.9793 -7.85351 GPRESSAVG: 4601200 -20.1957 29.0907 -4.06015 26.211 37.9141 -33.3299 -1.98066 -32.0541 -6.18449 TIMING: 4601200 CPU: 14548.9, 0.00316805/step Wall: 14548.9, 0.00316805/step, 0.35095 hours remaining, 236.320312 MB of memory in use. ENERGY: 4601200 3928.9753 20682.2378 14455.5068 252.7591 -203245.0567 2443.7768 0.0000 0.0000 52146.0738 -109335.7273 299.6842 -161481.8011 -108973.0006 299.5934 110.9431 139.6741 759578.4008 3.6601 3.8446 PRESSURE: 4601400 -30.1583 -308.67 74.1769 -308.67 97.4288 42.6198 74.1773 42.6197 218.606 GPRESSURE: 4601400 156.077 -307.362 -4.41521 -268.445 64.0176 86.3751 105.198 148.594 155.286 PRESSAVG: 4601400 18.6368 -20.5588 19.0528 -20.5588 -31.2992 0.600346 19.0529 0.600339 -0.818196 GPRESSAVG: 4601400 18.6156 -22.4348 19.0124 -20.5994 -31.2724 0.299446 18.4056 3.35916 -1.13836 TIMING: 4601400 CPU: 14549.6, 0.00316248/step Wall: 14549.6, 0.00316248/step, 0.350157 hours remaining, 236.523438 MB of memory in use. ENERGY: 4601400 3930.8665 20481.5115 14468.4104 258.3270 -203221.3405 2502.5698 0.0000 0.0000 52147.1779 -109432.4774 299.6905 -161579.6553 -109072.4633 299.7527 95.2920 125.1269 762226.0271 -4.4936 -4.5984 PRESSURE: 4601600 2.8611 -143.436 -88.8892 -143.436 -20.746 -105.417 -88.8887 -105.417 199.824 GPRESSURE: 4601600 21.6173 -80.0578 -60.472 -221.866 -77.4597 -76.2075 -93.6686 -132.484 303.364 PRESSAVG: 4601600 54.1425 -54.6266 -71.0087 -54.6266 13.2084 18.627 -71.0086 18.627 -11.9458 GPRESSAVG: 4601600 54.1676 -55.2886 -71.7203 -53.8397 13.1711 17.8155 -69.6164 17.7281 -11.8936 TIMING: 4601600 CPU: 14550.2, 0.00315186/step Wall: 14550.2, 0.00315186/step, 0.348806 hours remaining, 236.523438 MB of memory in use. ENERGY: 4601600 3958.1415 20433.8906 14458.3420 243.8686 -203388.9341 2665.6986 0.0000 0.0000 52137.3211 -109491.6715 299.6339 -161628.9926 -109128.3552 299.5076 60.6463 82.5072 760196.9984 18.4684 18.4817 PRESSURE: 4601800 -17.7994 -89.2291 -113.43 -89.2294 -326.986 45.4724 -113.429 45.4726 77.5832 GPRESSURE: 4601800 -35.6163 -76.7393 -125.147 -42.5732 -284.21 57.8821 -95.06 252.511 139.437 PRESSAVG: 4601800 -24.6737 -65.7335 -50.5623 -65.7335 19.8535 14.7738 -50.5622 14.7737 -25.1777 GPRESSAVG: 4601800 -25.3969 -64.1517 -48.5261 -65.4029 19.9088 14.8876 -50.7426 14.3398 -24.7329 TIMING: 4601800 CPU: 14550.8, 0.00314667/step Wall: 14550.8, 0.00314667/step, 0.348057 hours remaining, 236.523438 MB of memory in use. ENERGY: 4601800 3862.7459 20427.5234 14502.8995 253.6050 -203344.1069 2432.7794 0.0000 0.0000 52128.9214 -109735.6323 299.5856 -161864.5537 -109371.9990 298.7810 -89.0673 -60.1298 761357.0569 -9.9993 -10.0736 PRESSURE: 4602000 103.021 -61.303 -87.261 -61.3036 -169.767 -9.15331 -87.2623 -9.15242 -164.128 GPRESSURE: 4602000 149.926 -60.415 -190.536 -98.9001 -136.81 75.1867 36.8285 -14.6409 -148.854 PRESSAVG: 4602000 7.41356 -52.3849 -7.40245 -52.385 -38.7625 56.7139 -7.40245 56.7139 16.8004 GPRESSAVG: 4602000 8.96403 -52.4689 -7.35147 -53.1302 -39.6404 57.0169 -8.89023 56.4596 16.6514 TIMING: 4602000 CPU: 14551.5, 0.00315738/step Wall: 14551.5, 0.00315738/step, 0.349065 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: 4602000 4011.4768 20504.9177 14503.2497 262.1633 -203674.0766 2597.9702 0.0000 0.0000 52012.5561 -109781.7429 298.9169 -161794.2990 -109421.1669 298.5641 -76.9580 -45.2458 760197.3645 -4.8495 -4.6750 PRESSURE: 4602200 198.233 -53.7528 -29.0964 -53.753 -180.779 -73.3958 -29.0959 -73.3963 71.8582 GPRESSURE: 4602200 224.764 -108.197 -56.158 -127.009 -79.5546 -103.181 -110.218 -132.98 12.4724 PRESSAVG: 4602200 60.7726 -47.4533 29.2392 -47.4534 -34.2447 -2.67956 29.2392 -2.6796 0.80396 GPRESSAVG: 4602200 60.2593 -47.5968 29.4838 -47.24 -31.6955 -3.6409 29.8925 0.153121 -0.7652 TIMING: 4602200 CPU: 14552.1, 0.00316447/step Wall: 14552.1, 0.00316447/step, 0.349673 hours remaining, 236.523438 MB of memory in use. ENERGY: 4602200 3987.5144 20344.5128 14481.3858 244.2649 -203428.1422 2398.8091 0.0000 0.0000 52203.6121 -109768.0431 300.0149 -161971.6552 -109400.9333 298.5913 29.7706 52.5606 758444.1703 9.1106 9.2662 PRESSURE: 4602400 -185.739 -1.14676 75.7514 -1.14633 193.8 299.308 75.752 299.308 -383.666 GPRESSURE: 4602400 -89.325 -15.6713 46.3764 36.2059 175.701 316.027 23.1158 262.032 -392.688 PRESSAVG: 4602400 86.6887 -16.2433 19.0168 -16.2433 -59.5373 -40.8415 19.0168 -40.8414 -12.6979 GPRESSAVG: 4602400 86.5629 -17.3694 17.1855 -17.1694 -60.2889 -41.225 21.4142 -43.4257 -12.5072 TIMING: 4602400 CPU: 14552.7, 0.00314612/step Wall: 14552.7, 0.00314612/step, 0.347472 hours remaining, 236.523438 MB of memory in use. ENERGY: 4602400 4070.7299 20404.7474 14568.3229 257.1531 -203563.5827 2644.0956 0.0000 0.0000 52089.1004 -109529.4334 299.3568 -161618.5338 -109165.7088 299.2828 -125.2015 -102.1039 760584.0866 4.8178 4.5889 PRESSURE: 4602600 116.36 54.9231 127.169 54.9237 44.9422 -124.565 127.169 -124.565 -283.64 GPRESSURE: 4602600 7.80777 -33.4759 109.264 147.302 117.03 -122.688 134.222 -32.6303 -169.296 PRESSAVG: 4602600 39.6273 31.3619 17.2651 31.3619 -16.3377 -29.8362 17.2651 -29.8362 -39.7469 GPRESSAVG: 4602600 39.8287 32.7063 18.0594 31.8145 -17.1717 -29.6606 16.251 -29.5229 -39.4019 TIMING: 4602600 CPU: 14553.4, 0.0031515/step Wall: 14553.4, 0.0031515/step, 0.347891 hours remaining, 236.523438 MB of memory in use. ENERGY: 4602600 4049.4564 20477.9943 14537.2285 258.3997 -204036.3017 2781.0849 0.0000 0.0000 52211.6466 -109720.4913 300.0611 -161932.1379 -109356.6120 299.3739 -40.7790 -14.8195 759943.9804 -5.4857 -5.5816 PRESSURE: 4602800 -50.5659 34.7728 20.6481 34.7725 -335.202 -159.274 20.6486 -159.274 -411.128 GPRESSURE: 4602800 17.5828 -14.0631 91.0084 123.331 -295.648 -276.529 63.4747 -149.057 -418.302 PRESSAVG: 4602800 -36.5172 -30.7977 14.7081 -30.7976 37.2581 -1.15742 14.7081 -1.15732 -31.1268 GPRESSAVG: 4602800 -36.3058 -31.8976 15.1144 -30.0471 37.2203 -0.386279 14.127 -0.194446 -30.8149 TIMING: 4602800 CPU: 14554, 0.00315946/step Wall: 14554, 0.00315946/step, 0.348593 hours remaining, 236.523438 MB of memory in use. ENERGY: 4602800 4073.1949 20551.0572 14497.9718 256.2544 -203691.9527 2700.3753 0.0000 0.0000 51973.4126 -109639.6865 298.6919 -161613.0991 -109284.1872 299.2723 -265.6321 -232.1225 762218.0977 -10.1287 -9.9668 PRESSURE: 4603000 -11.9402 -16.7717 5.47484 -16.7719 -55.5919 4.31095 5.47569 4.31082 265.093 GPRESSURE: 4603000 -11.2032 54.2284 7.03765 -62.5828 -55.9187 67.1383 18.1216 -145.49 354.592 PRESSAVG: 4603000 92.6328 -65.7167 11.7993 -65.7167 -37.4449 -27.5697 11.7992 -27.5697 1.8282 GPRESSAVG: 4603000 92.1029 -66.023 11.0613 -66.7304 -37.7571 -28.3137 13.9385 -26.8575 2.65367 TIMING: 4603000 CPU: 14554.6, 0.00315019/step Wall: 14554.6, 0.00315019/step, 0.347395 hours remaining, 236.523438 MB of memory in use. ENERGY: 4603000 3924.5575 20588.1070 14391.2113 261.0283 -203527.8845 2610.9027 0.0000 0.0000 52266.1659 -109485.9118 300.3744 -161752.0777 -109120.0605 299.5416 65.8537 95.8234 760465.5846 19.0054 18.9998 PRESSURE: 4603200 -533.696 -217.732 -29.0414 -217.732 -95.6976 -177.282 -29.0423 -177.283 -329.633 GPRESSURE: 4603200 -425.079 -166.437 -38.9458 -230.925 -73.8178 -97.8361 44.3292 -93.7397 -378.769 PRESSAVG: 4603200 52.2615 -24.0446 10.2829 -24.0446 -26.2786 -58.1113 10.2829 -58.1113 33.2061 GPRESSAVG: 4603200 54.0801 -22.5691 9.76117 -25.3659 -26.4934 -57.2562 9.63614 -58.4637 32.0871 TIMING: 4603200 CPU: 14555.3, 0.00314181/step Wall: 14555.3, 0.0031418/step, 0.346297 hours remaining, 236.523438 MB of memory in use. ENERGY: 4603200 4020.9224 20657.1541 14534.1401 252.4714 -203421.0670 2481.8985 0.0000 0.0000 52098.2147 -109376.2657 299.4092 -161474.4804 -109005.7783 299.3792 -319.6757 -292.5553 762318.5326 19.7297 19.8913 PRESSURE: 4603400 53.2085 180.89 -182.076 180.89 -191.181 15.1108 -182.076 15.11 116.211 GPRESSURE: 4603400 -47.1555 174.328 -141.022 16.6114 -98.1725 56.289 -170.333 60.6508 215.465 PRESSAVG: 4603400 57.6132 5.28338 -41.991 5.28331 -40.6928 -55.7191 -41.991 -55.7193 -1.46796 GPRESSAVG: 4603400 57.5969 3.91966 -40.1353 4.76106 -41.8267 -54.1781 -42.3613 -57.517 -0.023008 TIMING: 4603400 CPU: 14555.9, 0.00317261/step Wall: 14555.9, 0.00317261/step, 0.349516 hours remaining, 236.523438 MB of memory in use. ENERGY: 4603400 4061.5365 20406.6446 14450.1042 238.7005 -203437.2343 2544.0061 0.0000 0.0000 52219.6028 -109516.6395 300.1068 -161736.2423 -109150.2078 299.5461 -7.2538 23.3791 761005.9748 5.1508 5.2491 PRESSURE: 4603600 -267.149 3.07699 -78.6995 3.0766 -102.663 101.996 -78.6996 101.997 -2.54516 GPRESSURE: 4603600 -170.258 118.765 -87.1653 7.23675 -170.978 88.1719 8.25819 53.2374 48.868 PRESSAVG: 4603600 61.0321 23.5651 -8.43299 23.5651 -52.7858 -34.5825 -8.43304 -34.5825 6.93577 GPRESSAVG: 4603600 61.1132 25.3668 -10.9607 23.7309 -51.5416 -37.1553 -8.24965 -33.3081 6.21361 TIMING: 4603600 CPU: 14556.5, 0.00316666/step Wall: 14556.5, 0.00316666/step, 0.348684 hours remaining, 236.523438 MB of memory in use. ENERGY: 4603600 4031.6322 20553.7441 14493.8950 255.3954 -203619.2827 2549.6728 0.0000 0.0000 52243.3324 -109491.6109 300.2431 -161734.9432 -109130.1256 299.5100 -124.1192 -97.4561 760187.7253 5.0607 5.2617 PRESSURE: 4603800 -74.0594 -93.7497 192.979 -93.7489 -45.5112 -116.734 192.979 -116.733 -145.296 GPRESSURE: 4603800 -2.85047 -34.3495 195.717 -25.4517 -53.1463 -6.88904 64.9709 43.2165 -115.217 PRESSAVG: 4603800 132.514 -47.9589 18.3818 -47.9588 -126.696 -17.9525 18.3818 -17.9524 28.1356 GPRESSAVG: 4603800 131.481 -47.7285 20.0455 -45.6409 -127.673 -18.6784 19.9105 -16.9433 29.8601 TIMING: 4603800 CPU: 14557.2, 0.00316242/step Wall: 14557.2, 0.00316242/step, 0.348042 hours remaining, 236.523438 MB of memory in use. ENERGY: 4603800 4080.2771 20626.4608 14527.0598 237.0083 -203467.8948 2411.0396 0.0000 0.0000 52281.9115 -109304.1377 300.4649 -161586.0492 -108954.5623 300.2830 -88.2888 -57.0711 760829.0240 11.3178 11.2229 PRESSURE: 4604000 -32.6496 -75.3915 159.463 -75.3906 -97.5843 -51.506 159.462 -51.5067 -112.78 GPRESSURE: 4604000 12.6325 -100.762 165.142 -46.0711 -37.0132 5.03355 76.1559 5.03709 -109.409 PRESSAVG: 4604000 60.5272 18.9662 -1.61262 18.9662 -71.5854 -61.6813 -1.61264 -61.6813 -4.99255 GPRESSAVG: 4604000 61.1875 18.6036 -0.489916 18.6055 -71.201 -59.9228 -2.0387 -64.0978 -5.94568 TIMING: 4604000 CPU: 14557.8, 0.00314256/step Wall: 14557.8, 0.00314256/step, 0.345681 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: 4604000 3974.1089 20714.5150 14445.4470 249.9442 -203437.1927 2514.3809 0.0000 0.0000 52307.2171 -109231.5797 300.6103 -161538.7968 -108861.1850 300.5564 -81.0047 -44.5965 761480.2348 -5.3503 -5.3197 PRESSURE: 4604200 -110.828 -17.9876 92.62 -17.988 87.7854 138.432 92.6206 138.433 41.8355 GPRESSURE: 4604200 -43.2711 14.6859 44.4547 -68.6679 122.383 176.751 157.488 142.817 20.357 PRESSAVG: 4604200 41.179 -18.9388 -3.57078 -18.9389 -61.1585 -7.82424 -3.57074 -7.8242 8.94416 GPRESSAVG: 4604200 41.8679 -17.0554 -6.01938 -20.2845 -61.5496 -6.56734 -4.71724 -8.27673 9.28398 TIMING: 4604200 CPU: 14558.4, 0.00316121/step Wall: 14558.4, 0.00316121/step, 0.347558 hours remaining, 236.523438 MB of memory in use. ENERGY: 4604200 4024.7472 20477.2862 14487.6672 277.7433 -203500.4743 2592.3474 0.0000 0.0000 52126.0828 -109514.6002 299.5693 -161640.6830 -109149.4832 300.0046 6.2642 33.1562 760959.6368 -3.6785 -3.4659 LDB: ============= START OF LOAD BALANCING ============== 14571 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14571 LDB: =============== DONE WITH MIGRATION ================ 14571 LDB: ============= START OF LOAD BALANCING ============== 14571.3 LDB: Largest compute 7031 load 0.034455 is 17.6% of average load 0.195631 LDB: Average compute 0.004385 is 2.2% of average load 0.195631 LDB: TIME 14571.3 LOAD: AVG 0.195631 MAX 0.216235 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.77 MB LDB: TIME 14571.3 LOAD: AVG 0.195631 MAX 0.216235 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: TIME 14571.3 LOAD: AVG 0.195631 MAX 0.216235 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: ============== END OF LOAD BALANCING =============== 14571.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14571.3 PRESSURE: 4604400 -266.976 292.212 -49.6246 292.211 23.1918 33.9528 -49.6241 33.9533 354.066 GPRESSURE: 4604400 -208.949 275.261 -49.4901 238.913 32.2521 58.194 -84.606 -40.3608 341.821 PRESSAVG: 4604400 42.4552 39.2745 -46.7571 39.2745 -31.8225 35.0527 -46.7571 35.0526 -9.87459 GPRESSAVG: 4604400 43.1398 38.4032 -46.0603 39.7407 -30.9472 33.7065 -47.2058 35.2422 -11.8144 TIMING: 4604400 CPU: 14559.1, 0.00323613/step Wall: 14559.1, 0.00323613/step, 0.355615 hours remaining, 238.511719 MB of memory in use. ENERGY: 4604400 4010.3872 20570.7066 14475.0667 248.7340 -203368.2033 2492.0056 0.0000 0.0000 51853.3847 -109717.9185 298.0021 -161571.3032 -109350.1869 299.2154 36.7608 55.0416 758987.9556 0.2527 0.1260 PRESSURE: 4604600 -97.9621 29.4967 45.0288 29.4961 229.533 -75.9533 45.0293 -75.9531 23.6239 GPRESSURE: 4604600 36.4993 142.24 133.273 13.5088 206.092 -81.4651 -194.118 67.7152 -2.43802 PRESSAVG: 4604600 65.2101 27.3582 -48.0768 27.3582 -0.514633 6.6635 -48.0768 6.6635 5.43964 GPRESSAVG: 4604600 65.0955 26.9303 -48.1295 27.038 -2.09643 7.09491 -46.6534 6.88625 7.27931 TIMING: 4604600 CPU: 14559.7, 0.00313361/step Wall: 14559.7, 0.00313361/step, 0.344175 hours remaining, 238.511719 MB of memory in use. ENERGY: 4604600 3991.3468 20455.2583 14443.1254 253.1015 -203264.0964 2463.5460 0.0000 0.0000 52148.0463 -109509.6721 299.6955 -161657.7184 -109125.0140 299.0750 51.7317 80.0509 759249.5267 23.3784 23.4261 PRESSURE: 4604800 93.2669 -134.709 -131.947 -134.709 121.651 -191.216 -131.947 -191.215 55.8362 GPRESSURE: 4604800 182.185 -131.618 -28.4337 -124.979 155.746 -191.105 -89.2911 -140.993 22.2182 PRESSAVG: 4604800 111.84 17.9732 -0.580086 17.9731 -45.6081 0.989956 -0.580124 0.989911 32.5653 GPRESSAVG: 4604800 111.724 18.1382 0.10138 18.8689 -44.8616 -0.511402 -0.872495 2.71268 32.3499 TIMING: 4604800 CPU: 14560.3, 0.00317005/step Wall: 14560.3, 0.00317005/step, 0.348001 hours remaining, 238.511719 MB of memory in use. ENERGY: 4604800 3993.9419 20565.5776 14386.8543 248.3481 -203543.1997 2574.2604 0.0000 0.0000 52348.1394 -109426.0781 300.8455 -161774.2174 -109055.2164 300.0266 90.2512 120.0497 760049.9508 32.9325 33.0708 PRESSURE: 4605000 229.433 -80.2953 191.371 -80.2955 -60.6664 -144.525 191.369 -144.523 289.791 GPRESSURE: 4605000 157.306 -75.6881 198.106 11.43 -41.5079 -187.916 49.1044 -112.93 403.285 PRESSAVG: 4605000 48.0546 5.13905 53.9786 5.139 -60.5131 -9.57324 53.9786 -9.57328 -9.06609 GPRESSAVG: 4605000 47.8293 4.40573 54.864 4.19817 -59.4378 -9.61389 53.492 -10.2666 -9.56381 TIMING: 4605000 CPU: 14561, 0.00317023/step Wall: 14561, 0.00317023/step, 0.347845 hours remaining, 238.769531 MB of memory in use. ENERGY: 4605000 4006.8739 20471.2001 14486.9743 252.9051 -203691.8012 2772.1621 0.0000 0.0000 52310.2241 -109391.4615 300.6276 -161701.6856 -109031.8889 300.0108 152.8527 173.0278 759307.7665 -7.1749 -7.0574 PRESSURE: 4605200 -61.088 -327.667 130.24 -327.666 147.696 37.2428 130.24 37.2431 -296.206 GPRESSURE: 4605200 -16.1025 -285.685 52.2843 -301.791 103.404 45.2364 154.97 49.4477 -219.351 PRESSAVG: 4605200 16.047 1.18216 8.14054 1.18213 11.5155 31.2297 8.14052 31.2296 2.19474 GPRESSAVG: 4605200 16.5717 1.8047 7.93453 1.55274 11.1699 32.732 6.8075 30.8227 2.0762 TIMING: 4605200 CPU: 14561.6, 0.00316398/step Wall: 14561.6, 0.00316398/step, 0.346983 hours remaining, 238.769531 MB of memory in use. ENERGY: 4605200 3958.0330 20575.4614 14494.4793 246.8799 -203444.0495 2715.2947 0.0000 0.0000 52161.5666 -109292.3346 299.7732 -161453.9012 -108928.1048 300.2457 -69.8660 -44.0167 760881.2461 9.9191 9.9393 PRESSURE: 4605400 -119.787 -168.265 136.177 -168.265 -367.671 188.127 136.178 188.126 -179.126 GPRESSURE: 4605400 -206.319 -186.233 170.384 -151.847 -258.142 136.915 41.5571 228.46 -101.317 PRESSAVG: 4605400 3.56551 -45.5109 -10.5789 -45.5109 -6.06359 -3.96447 -10.5788 -3.9644 -7.50252 GPRESSAVG: 4605400 1.66118 -45.6159 -11.2974 -43.3362 -4.59341 -4.84334 -10.6801 -3.9741 -7.09175 TIMING: 4605400 CPU: 14562.2, 0.00316219/step Wall: 14562.2, 0.00316219/step, 0.346611 hours remaining, 238.769531 MB of memory in use. ENERGY: 4605400 3968.3196 20790.1135 14531.7302 269.5672 -203481.6910 2749.1476 0.0000 0.0000 51912.4337 -109260.3792 298.3415 -161172.8129 -108906.7366 299.4326 -222.1949 -188.5925 762814.8881 -3.3335 -3.3413 PRESSURE: 4605600 132.19 -63.7426 42.3678 -63.743 68.047 115.647 42.3682 115.646 -212.152 GPRESSURE: 4605600 161.714 -178.503 20.9935 -47.1781 114.623 216.121 -0.0681079 -60.2314 -202.383 PRESSAVG: 4605600 9.13023 -25.4699 -7.12961 -25.4699 -47.8521 6.14309 -7.12956 6.14314 5.6249 GPRESSAVG: 4605600 12.0024 -25.1214 -9.08151 -26.9808 -49.8915 6.5742 -5.25293 5.07608 4.66236 TIMING: 4605600 CPU: 14562.9, 0.00315847/step Wall: 14562.9, 0.00315847/step, 0.346028 hours remaining, 238.769531 MB of memory in use. ENERGY: 4605600 3979.0059 20483.5737 14476.9965 269.6170 -203424.6221 2654.3278 0.0000 0.0000 52128.0350 -109433.0661 299.5805 -161561.1012 -109062.3086 300.0130 -3.9718 24.6510 763439.8743 -11.0323 -11.0756 PRESSURE: 4605800 363.435 -130.334 -32.5849 -130.334 -38.699 112.993 -32.5854 112.993 258.561 GPRESSURE: 4605800 260.404 -31.1368 -22.0376 16.8314 52.4806 119.866 5.84378 -62.8968 336.931 PRESSAVG: 4605800 25.3201 -10.1918 13.962 -10.1918 -17.7373 41.4112 13.9621 41.4112 6.60491 GPRESSAVG: 4605800 24.1982 -9.78076 15.404 -11.8312 -17.2851 42.9059 13.1369 42.1036 6.54886 TIMING: 4605800 CPU: 14563.5, 0.00317657/step Wall: 14563.5, 0.00317657/step, 0.347835 hours remaining, 238.769531 MB of memory in use. ENERGY: 4605800 3943.4561 20560.5883 14472.8138 247.1704 -203650.2202 2831.2034 0.0000 0.0000 52091.5278 -109503.4604 299.3707 -161594.9882 -109130.3956 299.3945 194.4325 216.6050 760882.8382 4.7292 4.4873 PRESSURE: 4606000 -115.31 186.104 164.225 186.104 170.97 195.061 164.226 195.06 -157.474 GPRESSURE: 4606000 -78.8742 219.541 178.994 154.826 173.661 159.329 156.837 31.6938 -132.358 PRESSAVG: 4606000 26.2568 56.2169 -30.034 56.2169 -24.888 51.3861 -30.0341 51.3861 13.8818 GPRESSAVG: 4606000 24.4055 53.5634 -29.8106 59.7362 -24.8632 49.1103 -30.5858 48.611 15.6345 TIMING: 4606000 CPU: 14564.1, 0.00318022/step Wall: 14564.1, 0.00318022/step, 0.348057 hours remaining, 238.769531 MB of memory 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 4055.7923 20668.6666 14455.0039 233.2245 -203706.1726 2704.9483 0.0000 0.0000 52083.9733 -109504.5637 299.3273 -161588.5370 -109141.0538 299.1914 -33.9380 -12.5238 760794.9385 5.0835 5.0589 PRESSURE: 4606200 -57.7822 -145.673 196.744 -145.672 -72.3347 -213.599 196.744 -213.597 -185.65 GPRESSURE: 4606200 -129.814 -113.891 63.9489 -82.4493 28.3275 -195.123 242.447 -144.339 -148.416 PRESSAVG: 4606200 -16.0159 8.75462 51.0299 8.75466 47.8303 23.1546 51.0298 23.1546 15.8257 GPRESSAVG: 4606200 -16.6815 10.848 52.556 7.35588 48.6288 22.8053 49.4474 24.4287 15.3486 TIMING: 4606200 CPU: 14564.8, 0.00316304/step Wall: 14564.8, 0.00316304/step, 0.346001 hours remaining, 238.769531 MB of memory in use. ENERGY: 4606200 4054.2150 20482.5542 14465.7882 246.5771 -203124.9993 2472.5178 0.0000 0.0000 52041.6823 -109361.6648 299.0843 -161403.3471 -108993.0355 299.9828 -105.2555 -83.3007 760666.2095 15.8800 15.7653 PRESSURE: 4606400 239.874 -76.3328 227.951 -76.3328 -108.595 284.977 227.952 284.977 -101.745 GPRESSURE: 4606400 289.715 -8.54328 174.249 -38.2878 -61.4902 234.204 227.111 97.6163 -129.055 PRESSAVG: 4606400 61.4298 -5.22898 -44.6433 -5.22897 -22.5444 -1.61222 -44.6432 -1.61227 -6.3478 GPRESSAVG: 4606400 62.2309 -6.4037 -46.8825 -4.43156 -22.7891 0.432892 -44.3868 -1.63798 -7.14279 TIMING: 4606400 CPU: 14565.4, 0.00315204/step Wall: 14565.4, 0.00315204/step, 0.344623 hours remaining, 238.769531 MB of memory in use. ENERGY: 4606400 3906.0682 20573.5236 14423.4800 243.1365 -203328.7100 2604.7833 0.0000 0.0000 52321.3490 -109256.3694 300.6915 -161577.7184 -108898.1542 299.5170 9.8448 33.0568 762284.0475 10.8459 10.7663 PRESSURE: 4606600 24.0334 -60.9689 -21.2615 -60.9691 120.236 -83.1344 -21.2618 -83.1341 442.563 GPRESSURE: 4606600 73.7567 22.2701 -8.0158 -105.052 145.815 -25.9513 1.99288 -70.8384 466.645 PRESSAVG: 4606600 18.064 -15.8116 11.874 -15.8116 -30.359 57.4731 11.874 57.4731 16.7481 GPRESSAVG: 4606600 17.0887 -13.2502 13.3389 -16.9251 -30.2289 56.4874 11.6711 58.5071 17.9267 TIMING: 4606600 CPU: 14566, 0.0031484/step Wall: 14566, 0.0031484/step, 0.344051 hours remaining, 238.769531 MB of memory in use. ENERGY: 4606600 3907.7004 20653.4723 14452.8433 262.0891 -203580.4445 2768.1786 0.0000 0.0000 52209.8380 -109326.3229 300.0507 -161536.1609 -108959.7848 299.8942 195.6110 228.7390 760189.8559 1.4844 1.5955 PRESSURE: 4606800 435.662 -102.173 138.458 -102.174 135.384 -115.581 138.458 -115.581 269.899 GPRESSURE: 4606800 406.152 -69.4675 114.389 -69.653 145.851 -81.226 167.054 -67.6911 350.353 PRESSAVG: 4606800 56.193 8.37571 5.10002 8.37568 -63.7437 50.1559 5.10008 50.156 11.2997 GPRESSAVG: 4606800 58.4903 6.94504 4.9426 8.51124 -65.122 51.7286 6.54326 48.2459 10.6271 TIMING: 4606800 CPU: 14566.6, 0.00314021/step Wall: 14566.6, 0.00314021/step, 0.342981 hours remaining, 238.769531 MB of memory in use. ENERGY: 4606800 3966.6020 20472.0639 14483.4257 232.8810 -203948.0528 3009.6692 0.0000 0.0000 52314.7826 -109468.6284 300.6538 -161783.4109 -109101.1330 299.7325 280.3150 300.7854 760144.7374 1.2497 1.3318 PRESSURE: 4607000 -715.475 -94.0259 -28.8634 -94.0266 -175.1 240.667 -28.8635 240.668 -31.6218 GPRESSURE: 4607000 -590.811 -52.7447 -7.44371 -75.1828 -185.192 276.511 -54.6292 117.432 -60.6454 PRESSAVG: 4607000 36.3367 17.0562 12.4107 17.0562 -52.139 30.9617 12.4106 30.9616 12.0369 GPRESSAVG: 4607000 36.4577 19.1456 10.7843 15.4987 -51.7474 31.6677 14.0018 30.7028 11.9093 TIMING: 4607000 CPU: 14567.3, 0.00313107/step Wall: 14567.3, 0.00313107/step, 0.341808 hours remaining, 238.769531 MB of memory in use. ENERGY: 4607000 4041.7932 20537.4987 14480.6934 251.9178 -203185.2105 2393.9249 0.0000 0.0000 51846.8763 -109632.5063 297.9647 -161479.3826 -109265.4969 299.4406 -307.3988 -278.8828 762498.4712 -1.2551 -1.1268 PRESSURE: 4607200 178.442 36.6174 -122.935 36.6179 -143.5 90.1674 -122.936 90.1675 -225.532 GPRESSURE: 4607200 121.641 79.7523 -152.98 22.5341 -89.7561 141.99 -145.749 154.39 -114.173 PRESSAVG: 4607200 36.4298 -49.5264 37.4702 -49.5264 -24.8929 55.3369 37.4702 55.3368 -23.4941 GPRESSAVG: 4607200 34.9098 -52.0386 37.958 -46.4777 -24.3446 51.6432 37.656 58.5814 -22.6943 TIMING: 4607200 CPU: 14567.9, 0.00314206/step Wall: 14567.9, 0.00314206/step, 0.342833 hours remaining, 238.769531 MB of memory in use. ENERGY: 4607200 4001.8751 20430.7381 14415.9252 243.7281 -203238.2254 2636.0669 0.0000 0.0000 52174.4536 -109335.4383 299.8473 -161509.8919 -108976.4343 299.4851 -63.5300 -27.4292 760475.3640 -3.9857 -4.0430 PRESSURE: 4607400 71.5976 -60.9753 -156.306 -60.976 220.502 -63.7789 -156.306 -63.7802 -193.606 GPRESSURE: 4607400 127.279 -52.6512 -110.722 -74.0484 217.933 -68.5738 -177.577 -20.1406 -158.143 PRESSAVG: 4607400 59.4031 7.60483 -6.23432 7.60484 -33.0784 15.3825 -6.23426 15.3826 16.238 GPRESSAVG: 4607400 58.7651 7.97907 -7.0047 5.39303 -33.4883 15.9117 -6.27054 14.9691 17.0957 TIMING: 4607400 CPU: 14568.5, 0.00312196/step Wall: 14568.5, 0.00312196/step, 0.340467 hours remaining, 238.769531 MB of memory in use. ENERGY: 4607400 4013.5562 20562.3977 14420.3941 236.4455 -203250.2716 2641.5497 0.0000 0.0000 51977.1817 -109398.7467 298.7136 -161375.9284 -109031.8195 299.4151 32.8311 62.3565 761140.1905 14.1876 14.1242 PRESSURE: 4607600 -413.703 72.3566 -183.347 72.3566 -305.462 -75.7307 -183.346 -75.7308 -239.159 GPRESSURE: 4607600 -355.533 5.1265 -109.308 38.0204 -282.683 -54.3032 -227.604 -110.806 -235.663 PRESSAVG: 4607600 -13.951 -38.5953 -39.8807 -38.5953 23.1945 -8.3078 -39.8806 -8.30792 -8.49574 GPRESSAVG: 4607600 -13.3484 -36.6682 -39.5271 -39.3039 23.8824 -6.75294 -41.9561 -9.14282 -10.1926 TIMING: 4607600 CPU: 14569.2, 0.00315627/step Wall: 14569.2, 0.00315627/step, 0.344033 hours remaining, 238.769531 MB of memory in use. ENERGY: 4607600 3993.1341 20611.5617 14512.4487 259.2837 -203152.0738 2316.6671 0.0000 0.0000 51960.3294 -109498.6490 298.6167 -161458.9784 -109138.3672 299.2969 -319.4411 -291.2933 760651.9769 0.2492 0.1138 PRESSURE: 4607800 -195.998 175.379 15.186 175.379 -18.53 -47.4189 15.1866 -47.4179 140.701 GPRESSURE: 4607800 -159.827 63.1785 56.1355 182.336 -5.8375 -120.69 1.65905 -46.6859 167.025 PRESSAVG: 4607800 32.2364 21.509 2.90849 21.509 13.2005 -0.34508 2.90852 -0.345067 -2.64663 GPRESSAVG: 4607800 32.1838 20.0087 3.76009 21.3833 13.5532 -1.71685 3.41232 0.562254 -2.37545 TIMING: 4607800 CPU: 14569.8, 0.00316933/step Wall: 14569.8, 0.00316933/step, 0.345281 hours remaining, 238.769531 MB of memory in use. ENERGY: 4607800 3974.9440 20470.1649 14554.2013 256.9275 -203190.7581 2624.2874 0.0000 0.0000 52113.7698 -109196.4632 299.4986 -161310.2330 -108832.0152 299.1546 -24.6088 0.4536 761786.5931 14.2634 14.4539 PRESSURE: 4608000 -152.171 -83.2121 359.614 -83.2129 -107.16 110.329 359.614 110.328 101.511 GPRESSURE: 4608000 -162.339 59.4288 429.989 -25.9865 -52.0525 137.744 208.985 131.51 146.502 PRESSAVG: 4608000 22.5686 -44.8199 52.7117 -44.8199 -9.93004 -9.47506 52.7116 -9.47499 2.90032 GPRESSAVG: 4608000 22.5157 -45.1868 53.7245 -44.5816 -9.54442 -7.99246 51.9701 -8.89742 2.68596 TIMING: 4608000 CPU: 14570.4, 0.00315935/step Wall: 14570.4, 0.00315935/step, 0.344018 hours remaining, 238.769531 MB of memory 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 3937.2644 20507.3715 14430.8936 258.1501 -203045.6804 2389.3172 0.0000 0.0000 52207.3551 -109315.3284 300.0364 -161522.6835 -108954.6815 299.1282 -52.6067 -22.6299 761718.0270 5.1796 5.2191 PRESSURE: 4608200 147.209 100.518 47.0231 100.518 -450.037 -33.322 47.0235 -33.3221 -199.276 GPRESSURE: 4608200 126.288 58.3599 29.4192 177.395 -438.468 -89.6427 192.044 34.5482 -132.091 PRESSAVG: 4608200 -5.78299 -66.0708 8.40169 -66.0707 -39.5618 -24.0353 8.40166 -24.0353 -23.6929 GPRESSAVG: 4608200 -4.49759 -65.1714 6.86942 -66.6584 -40.725 -25.1919 9.17369 -24.4652 -23.7371 TIMING: 4608200 CPU: 14571.1, 0.00314383/step Wall: 14571.1, 0.00314383/step, 0.342153 hours remaining, 238.769531 MB of memory in use. ENERGY: 4608200 4028.0595 20584.0942 14480.7172 250.1079 -203219.6160 2269.1154 0.0000 0.0000 52206.1069 -109401.4150 300.0292 -161607.5219 -109037.5266 299.2189 -167.3683 -148.0904 759552.8528 -23.0126 -22.9865 LDB: ============= START OF LOAD BALANCING ============== 14583.6 LDB: ============== END OF LOAD BALANCING =============== 14583.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14583.6 LDB: ============= START OF LOAD BALANCING ============== 14583.9 LDB: Largest compute 7078 load 0.032023 is 16.4% of average load 0.195536 LDB: Average compute 0.004394 is 2.2% of average load 0.195536 LDB: TIME 14583.9 LOAD: AVG 0.195536 MAX 0.215679 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.41 MB LDB: TIME 14583.9 LOAD: AVG 0.195536 MAX 0.215679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: TIME 14583.9 LOAD: AVG 0.195536 MAX 0.215679 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.41 MB LDB: ============== END OF LOAD BALANCING =============== 14583.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14583.9 PRESSURE: 4608400 146.881 77.5767 18.9248 77.5767 100.906 163.162 18.9252 163.163 -92.8965 GPRESSURE: 4608400 173.919 145.077 -79.3648 170.39 141.501 219.125 16.8639 159.477 -79.0756 PRESSAVG: 4608400 35.4479 -37.9533 37.9364 -37.9533 -44.2311 38.5952 37.9364 38.5952 11.369 GPRESSAVG: 4608400 34.7016 -39.5633 38.1655 -35.6831 -43.0564 37.9452 37.6533 39.7927 11.075 TIMING: 4608400 CPU: 14571.7, 0.00322254/step Wall: 14571.7, 0.00322253/step, 0.35054 hours remaining, 236.164062 MB of memory in use. ENERGY: 4608400 4053.9070 20821.2103 14424.6976 227.0442 -203454.5536 2541.2460 0.0000 0.0000 51939.7683 -109446.6803 298.4986 -161386.4486 -109086.4190 299.6207 51.6304 78.7815 761332.8408 0.8619 0.9067 PRESSURE: 4608600 538.133 31.2582 110.993 31.2572 -49.7399 159.914 110.993 159.914 317.652 GPRESSURE: 4608600 512.819 -22.096 146.7 50.7915 72.1144 125.054 134.912 95.4422 334.115 PRESSAVG: 4608600 12.0912 -51.288 9.67604 -51.288 38.761 4.85397 9.67598 4.85408 -8.1655 GPRESSAVG: 4608600 11.4791 -51.271 8.0171 -51.8922 38.0426 7.06246 8.71209 1.47245 -6.96288 TIMING: 4608600 CPU: 14572.3, 0.00316314/step Wall: 14572.3, 0.00316314/step, 0.343904 hours remaining, 236.164062 MB of memory in use. ENERGY: 4608600 3903.8285 20571.2517 14521.9183 243.8623 -203983.7534 3051.1127 0.0000 0.0000 52075.7654 -109616.0145 299.2801 -161691.7799 -109257.4657 299.3657 268.6817 306.3494 760765.4616 14.2289 14.1862 PRESSURE: 4608800 62.2039 -71.3013 78.5058 -71.3019 -190.46 -109.044 78.5066 -109.045 79.6363 GPRESSURE: 4608800 56.9387 -23.2911 127.081 -101.151 -101.948 -91.4664 35.9133 -155.166 94.1117 PRESSAVG: 4608800 -59.0971 -25.5166 18.9454 -25.5165 8.13894 8.30685 18.9455 8.30679 6.18654 GPRESSAVG: 4608800 -58.5123 -23.5963 20.751 -27.4953 9.15042 6.22029 19.9764 10.3644 4.96896 TIMING: 4608800 CPU: 14573, 0.00313586/step Wall: 14573, 0.00313586/step, 0.340764 hours remaining, 236.421875 MB of memory in use. ENERGY: 4608800 4015.1713 20556.2650 14485.9820 229.8412 -203714.0967 2796.7409 0.0000 0.0000 52072.7479 -109557.3482 299.2628 -161630.0962 -109193.3454 299.0119 -16.2066 16.3675 762645.5680 -14.9239 -14.7977 PRESSURE: 4609000 -326.905 -129.058 61.1479 -129.058 -25.7536 -194.271 61.1485 -194.271 -302.289 GPRESSURE: 4609000 -219.652 -53.846 3.16638 -121.192 -75.7286 -113.936 115.438 -267.189 -300.616 PRESSAVG: 4609000 -49.916 -32.7536 -29.1644 -32.7536 42.7152 -36.0409 -29.1644 -36.041 -27.2194 GPRESSAVG: 4609000 -50.933 -31.9599 -30.098 -32.6052 42.5667 -35.7451 -29.7288 -35.6371 -26.0558 TIMING: 4609000 CPU: 14573.6, 0.00314475/step Wall: 14573.6, 0.00314475/step, 0.341555 hours remaining, 236.421875 MB of memory in use. ENERGY: 4609000 4013.8814 20518.3250 14479.9336 236.7485 -203678.0697 2866.8144 0.0000 0.0000 52041.5394 -109520.8275 299.0834 -161562.3669 -109153.5636 299.1687 -218.3158 -198.6656 762742.4389 -11.4734 -11.4740 PRESSURE: 4609200 -231.976 -107.503 -158.224 -107.503 184.485 -130.904 -158.224 -130.904 -110.267 GPRESSURE: 4609200 -147.715 -65.3131 -141.701 -35.3122 178.999 -169.152 -49.4529 -177.136 -103.388 PRESSAVG: 4609200 36.8883 -15.7551 18.1608 -15.7551 -25.4973 -2.18851 18.1607 -2.18846 5.77661 GPRESSAVG: 4609200 38.5109 -16.9325 19.7921 -13.8121 -26.1107 -2.8617 20.4312 -0.310992 3.91434 TIMING: 4609200 CPU: 14574.2, 0.00314565/step Wall: 14574.2, 0.00314565/step, 0.341478 hours remaining, 236.472656 MB of memory in use. ENERGY: 4609200 4017.8040 20421.3341 14506.1326 261.5274 -203216.4084 2563.7489 0.0000 0.0000 52064.0582 -109381.8032 299.2129 -161445.8614 -109010.8572 299.4538 -52.5862 -24.0348 762123.1211 5.7225 5.4382 PRESSURE: 4609400 123.666 125.514 257.667 125.514 -179.113 -228.458 257.667 -228.459 -33.5684 GPRESSURE: 4609400 173.962 184.14 244.806 67.6995 -147.155 -142.871 231.214 -243.249 -27.1067 PRESSAVG: 4609400 -18.3069 7.94356 -7.85311 7.94361 -4.26433 -47.1734 -7.8531 -47.1734 -12.7891 GPRESSAVG: 4609400 -19.8066 9.41117 -9.30223 5.71659 -3.5032 -46.0132 -10.0888 -49.4537 -12.1999 TIMING: 4609400 CPU: 14574.8, 0.0031499/step Wall: 14574.8, 0.0031499/step, 0.341764 hours remaining, 236.542969 MB of memory in use. ENERGY: 4609400 3964.0246 20444.8583 14527.6674 242.7989 -203514.4113 2843.8049 0.0000 0.0000 52025.2659 -109465.9913 298.9899 -161491.2573 -109103.0095 299.3156 -29.6719 -0.0999 761341.7411 -11.7868 -11.8366 PRESSURE: 4609600 -195.81 62.1279 98.6472 62.1279 -143.952 -126.624 98.6474 -126.623 -368.846 GPRESSURE: 4609600 -48.267 9.11709 43.206 162.587 -181.161 -155.286 -23.6583 -143.483 -379.802 PRESSAVG: 4609600 -17.6095 -10.333 -10.5714 -10.3331 19.5245 -95.6611 -10.5714 -95.661 -26.9905 GPRESSAVG: 4609600 -17.4619 -13.0191 -10.683 -8.33119 18.5932 -95.2859 -10.6306 -94.9987 -26.6903 TIMING: 4609600 CPU: 14575.5, 0.00313642/step Wall: 14575.5, 0.00313641/step, 0.340127 hours remaining, 236.542969 MB of memory in use. ENERGY: 4609600 3999.3463 20451.5153 14504.5757 268.9138 -203226.5256 2484.1532 0.0000 0.0000 52098.6355 -109419.3860 299.4116 -161518.0214 -109060.2813 299.0041 -236.2027 -203.0768 761464.9977 -8.3585 -8.5197 PRESSURE: 4609800 121.834 166.831 -135.372 166.831 -11.3279 -251.665 -135.372 -251.666 -572.408 GPRESSURE: 4609800 68.7231 141.463 -196.921 93.7331 111.158 -253.409 -153.593 -123.866 -571.554 PRESSAVG: 4609800 -37.8944 2.93546 15.5161 2.93549 28.6465 22.1743 15.5161 22.1744 13.4589 GPRESSAVG: 4609800 -37.6271 5.40772 16.2271 1.90204 28.5211 21.5476 15.0298 22.6718 12.9157 TIMING: 4609800 CPU: 14576.1, 0.00314719/step Wall: 14576.1, 0.00314719/step, 0.34112 hours remaining, 236.542969 MB of memory in use. ENERGY: 4609800 3989.2554 20424.7963 14483.7453 271.7696 -203261.5070 2575.4872 0.0000 0.0000 51901.7990 -109614.6542 298.2804 -161516.4532 -109261.1534 299.4743 -153.9674 -130.5577 763636.1034 1.4037 1.2699 PRESSURE: 4610000 471.985 108.541 -18.8064 108.541 258.329 -123.536 -18.8067 -123.536 68.5346 GPRESSURE: 4610000 476.162 155.714 72.4569 140.703 258.63 -94.7126 -61.156 -123.938 149.1 PRESSAVG: 4610000 -23.9193 14.7351 18.8967 14.7351 -4.96108 20.9719 18.8967 20.972 -0.29887 GPRESSAVG: 4610000 -24.5287 13.066 16.6274 14.3148 -4.01157 19.0318 19.6269 20.4777 -0.201739 TIMING: 4610000 CPU: 14576.7, 0.0031568/step Wall: 14576.7, 0.0031568/step, 0.341987 hours remaining, 236.542969 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: 4610000 3973.3810 20439.4301 14560.0698 243.7314 -203558.4979 2913.6313 0.0000 0.0000 51891.5352 -109536.7191 298.2214 -161428.2543 -109178.9460 298.6064 266.2831 294.6307 762424.9408 -9.7264 -9.5807 PRESSURE: 4610200 -209.045 28.6809 48.3603 28.6808 -186.503 288.005 48.3602 288.006 -194.304 GPRESSURE: 4610200 -122.354 7.67817 69.0069 92.6985 -175.644 312.832 -67.0301 368.324 -228.36 PRESSAVG: 4610200 6.5368 4.10993 4.59525 4.10996 36.3246 55.6796 4.59528 55.6797 -1.21142 GPRESSAVG: 4610200 7.72763 4.88325 6.30108 5.82907 35.2703 58.1193 5.13169 54.9259 -2.27975 TIMING: 4610200 CPU: 14577.4, 0.00315936/step Wall: 14577.4, 0.00315936/step, 0.342089 hours remaining, 236.542969 MB of memory in use. ENERGY: 4610200 4079.5399 20476.1670 14538.4075 248.0959 -203240.3996 2483.0703 0.0000 0.0000 52019.4228 -109395.6963 298.9563 -161415.1191 -109039.2356 298.5660 -196.6174 -175.4527 760589.1684 13.8833 13.5727 PRESSURE: 4610400 -179.646 77.3588 -127.386 77.3582 -87.5411 -80.6011 -127.386 -80.6014 -83.7268 GPRESSURE: 4610400 -217.746 105.704 -70.1772 -46.2139 32.087 -14.1991 -163.982 -133.59 -78.9316 PRESSAVG: 4610400 -33.2173 -4.89262 -15.1018 -4.8926 31.9085 23.3601 -15.1018 23.36 -19.36 GPRESSAVG: 4610400 -35.2696 -3.4369 -15.7026 -5.78776 33.0503 23.8264 -14.4114 23.7364 -18.3488 TIMING: 4610400 CPU: 14578, 0.00315198/step Wall: 14578, 0.00315198/step, 0.341114 hours remaining, 236.542969 MB of memory in use. ENERGY: 4610400 4032.1871 20566.2849 14530.7930 255.0055 -203237.1612 2485.0058 0.0000 0.0000 52086.4744 -109281.4104 299.3417 -161367.8849 -108919.9306 299.1473 -116.9714 -88.1970 760907.7596 -6.8896 -6.8561 PRESSURE: 4610600 36.1843 217.829 -1.16866 217.83 -556.498 192.287 -1.1688 192.287 93.9517 GPRESSURE: 4610600 -8.02912 280.7 -8.79165 128.393 -455.66 226.683 -133.239 141.469 118.076 PRESSAVG: 4610600 -4.63283 31.6064 23.5004 31.6064 -2.59993 71.1724 23.5004 71.1725 11.9225 GPRESSAVG: 4610600 -3.7446 32.0337 24.1721 30.2102 -3.43512 69.515 21.5655 71.0579 12.3654 TIMING: 4610600 CPU: 14578.6, 0.00313652/step Wall: 14578.6, 0.00313652/step, 0.339267 hours remaining, 236.542969 MB of memory in use. ENERGY: 4610600 3975.8801 20524.9824 14636.5188 243.0624 -203122.5050 2335.4584 0.0000 0.0000 52160.8388 -109245.7641 299.7691 -161406.6028 -108883.6887 299.7678 -142.1208 -115.2043 762367.1300 1.5633 1.7286 PRESSURE: 4610800 -325.09 15.6519 -74.2505 15.6519 -37.9953 17.1258 -74.2503 17.1254 396.435 GPRESSURE: 4610800 -305.309 -10.3875 -175.331 46.4357 33.776 126.089 -91.6274 47.0995 399.777 PRESSAVG: 4610800 -33.4942 10.4215 -36.1465 10.4215 60.6433 22.1685 -36.1465 22.1685 -2.35053 GPRESSAVG: 4610800 -32.7788 9.3787 -35.6488 12.2616 60.3478 22.2462 -36.7544 20.5591 -2.61226 TIMING: 4610800 CPU: 14579.3, 0.00314824/step Wall: 14579.3, 0.00314824/step, 0.340359 hours remaining, 236.542969 MB of memory in use. ENERGY: 4610800 3932.9348 20465.3951 14534.3796 237.7277 -203412.6497 2757.9498 0.0000 0.0000 52165.6266 -109318.6362 299.7966 -161484.2628 -108963.4385 299.4360 11.1165 42.7479 761764.9857 8.2662 8.3189 PRESSURE: 4611000 106.333 71.3807 156.64 71.3796 263.405 -68.1359 156.64 -68.1353 98.6338 GPRESSURE: 4611000 199.543 94.8518 100.583 169.377 266.148 -92.9432 144.885 -46.8829 94.0023 PRESSAVG: 4611000 -46.2015 -38.2381 31.5687 -38.2381 -5.01114 1.02577 31.5687 1.02585 -31.1373 GPRESSAVG: 4611000 -46.9405 -37.7476 31.0523 -37.8608 -4.44497 0.42233 31.039 4.31135 -31.4076 TIMING: 4611000 CPU: 14579.9, 0.00315901/step Wall: 14579.9, 0.00315901/step, 0.341349 hours remaining, 236.542969 MB of memory in use. ENERGY: 4611000 3941.0425 20400.3222 14584.9495 262.2702 -203201.1347 2662.6945 0.0000 0.0000 52026.7092 -109323.1466 298.9982 -161349.8558 -108954.2839 299.5467 156.1238 186.5644 761067.9825 -27.4500 -27.5977 PRESSURE: 4611200 -363.477 -106.729 93.435 -106.729 -53.7726 100.954 93.4347 100.954 -153.24 GPRESSURE: 4611200 -324.815 -87.7149 65.6933 -153.984 -60.9579 103.728 148.53 36.0611 -102.657 PRESSAVG: 4611200 -73.6101 -47.2735 -41.8726 -47.2735 28.2141 -7.79539 -41.8725 -7.79545 0.0744124 GPRESSAVG: 4611200 -74.2205 -46.7334 -42.8134 -47.2791 28.6914 -5.85413 -38.8089 -9.09408 0.112282 TIMING: 4611200 CPU: 14580.5, 0.00315526/step Wall: 14580.5, 0.00315526/step, 0.340768 hours remaining, 236.542969 MB of memory in use. ENERGY: 4611200 3957.0234 20544.8172 14499.5742 253.9694 -203050.9309 2475.3107 0.0000 0.0000 52124.6963 -109195.5397 299.5613 -161320.2360 -108833.8552 299.6618 -190.1631 -162.8100 762104.9822 -15.1072 -15.1390 PRESSURE: 4611400 -110.532 29.6859 82.8732 29.6851 -2.9518 20.9407 82.8731 20.9405 -294.007 GPRESSURE: 4611400 -56.4663 74.6225 202.729 -8.13657 30.4208 122.912 56.5649 -31.3834 -294.986 PRESSAVG: 4611400 20.5926 -8.33128 6.9952 -8.33132 -20.0493 -46.0712 6.99518 -46.0711 30.4422 GPRESSAVG: 4611400 20.8373 -6.90146 8.23744 -9.3375 -20.2707 -44.95 6.55139 -48.1439 30.4302 TIMING: 4611400 CPU: 14581.1, 0.00315633/step Wall: 14581.1, 0.00315633/step, 0.340708 hours remaining, 236.542969 MB of memory in use. ENERGY: 4611400 3957.0243 20519.3015 14528.2992 240.9525 -203130.9806 2485.9749 0.0000 0.0000 52243.4561 -109155.9721 300.2439 -161399.4281 -108801.8350 300.5189 -135.8300 -107.0105 763942.2735 10.3285 10.3323 PRESSURE: 4611600 -141.952 -47.5493 -41.392 -47.5508 -239.323 -266.459 -41.3916 -266.457 91.8728 GPRESSURE: 4611600 -139.566 -61.6105 -55.1139 25.1006 -147.699 -232.541 -62.1744 -193.735 94.9912 PRESSAVG: 4611600 -0.462152 10.2378 42.7072 10.2378 24.481 -31.4173 42.7072 -31.4173 4.24663 GPRESSAVG: 4611600 0.0317959 8.74483 43.1509 11.2653 23.6695 -31.7757 43.2513 -30.5694 4.64535 TIMING: 4611600 CPU: 14581.8, 0.0031513/step Wall: 14581.8, 0.0031513/step, 0.33999 hours remaining, 236.542969 MB of memory in use. ENERGY: 4611600 3990.1807 20486.1791 14494.4474 244.4561 -202875.2057 2520.3753 0.0000 0.0000 51842.3796 -109297.1874 297.9389 -161139.5670 -108936.8346 299.6866 -96.4674 -64.0912 762866.5788 9.4218 9.4489 PRESSURE: 4611800 289.493 176.928 -113.553 176.927 -6.42811 57.2397 -113.553 57.239 -3.93693 GPRESSURE: 4611800 373.631 340.754 -101.453 135.496 -51.1065 48.5488 -162.686 141.448 34.1395 PRESSAVG: 4611800 27.0306 12.787 -29.5581 12.787 31.9802 -25.3966 -29.5581 -25.3966 -19.3673 GPRESSAVG: 4611800 26.9711 11.9392 -32.031 12.8158 31.5061 -26.8406 -29.5884 -25.8986 -18.831 TIMING: 4611800 CPU: 14582.4, 0.00314961/step Wall: 14582.4, 0.00314961/step, 0.339633 hours remaining, 236.542969 MB of memory in use. ENERGY: 4611800 3975.3792 20443.0736 14534.0630 257.7360 -203100.2178 2491.0221 0.0000 0.0000 52107.1390 -109291.8048 299.4604 -161398.9438 -108945.6361 299.7901 93.0426 118.8880 761939.6195 13.2145 13.2154 PRESSURE: 4612000 -151.048 -177.562 -86.6794 -177.562 191.357 59.1003 -86.6797 59.1007 -279.439 GPRESSURE: 4612000 -63.0067 -101.159 -163.859 -263.545 154.413 153.112 -42.9414 127.874 -248.996 PRESSAVG: 4612000 -47.0138 47.5112 -29.9831 47.5112 46.3815 32.8494 -29.9831 32.8493 -0.225203 GPRESSAVG: 4612000 -46.7758 48.4083 -28.4445 47.9199 48.0108 35.2416 -31.7973 35.0563 -2.0924 TIMING: 4612000 CPU: 14583, 0.00317339/step Wall: 14583, 0.00317339/step, 0.342021 hours remaining, 236.542969 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: 4612000 4028.4652 20478.7988 14496.1107 258.3307 -203119.2698 2539.7272 0.0000 0.0000 51776.0773 -109541.7599 297.5578 -161317.8372 -109179.0117 298.8853 -79.7100 -52.5297 761574.8635 -0.2858 -0.2858 PRESSURE: 4612200 -145.402 -36.336 -135.183 -36.3369 94.8628 -56.5156 -135.184 -56.5167 307.223 GPRESSURE: 4612200 -191.451 -10.6765 -117.59 -151.679 156.238 -39.3974 -131.331 -220.869 362.696 PRESSAVG: 4612200 -89.5779 23.0428 -9.01447 23.0428 87.8169 -26.279 -9.01443 -26.2791 -7.88808 GPRESSAVG: 4612200 -91.3144 21.2244 -7.68067 24.1739 87.3209 -28.8131 -8.83747 -26.9762 -6.28704 TIMING: 4612200 CPU: 14583.7, 0.00317123/step Wall: 14583.7, 0.00317123/step, 0.341612 hours remaining, 236.542969 MB of memory in use. ENERGY: 4612200 3983.7271 20445.2042 14480.0414 251.6066 -203444.8766 2798.8408 0.0000 0.0000 51931.6091 -109553.8475 298.4517 -161485.4565 -109202.2387 298.8607 85.5611 109.1612 760681.5212 -3.2164 -3.4268 LDB: ============= START OF LOAD BALANCING ============== 14596.2 LDB: ============== END OF LOAD BALANCING =============== 14596.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14596.2 LDB: ============= START OF LOAD BALANCING ============== 14596.5 LDB: Largest compute 7077 load 0.033584 is 17.2% of average load 0.195604 LDB: Average compute 0.004397 is 2.2% of average load 0.195604 LDB: TIME 14596.5 LOAD: AVG 0.195604 MAX 0.214646 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.488 MB LDB: TIME 14596.5 LOAD: AVG 0.195604 MAX 0.214646 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.695 MB LDB: TIME 14596.5 LOAD: AVG 0.195604 MAX 0.214646 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.695 MB LDB: ============== END OF LOAD BALANCING =============== 14596.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14596.5 PRESSURE: 4612400 -223.424 99.8686 -89.5291 99.8689 -149.888 -223.388 -89.5297 -223.389 -256.312 GPRESSURE: 4612400 -238.869 175.162 -60.3679 57.5434 -68.8017 -298.297 -66.5056 -196.215 -232.269 PRESSAVG: 4612400 -37.062 32.5741 24.0367 32.574 17.81 -15.4611 24.0368 -15.4611 18.5435 GPRESSAVG: 4612400 -36.4919 34.9831 24.4495 29.7087 18.2186 -15.4043 25.0315 -16.6894 17.4682 TIMING: 4612400 CPU: 14584.3, 0.00321789/step Wall: 14584.3, 0.00321789/step, 0.34646 hours remaining, 236.492188 MB of memory in use. ENERGY: 4612400 3949.4929 20403.2442 14416.8734 258.0271 -202831.6257 2144.9261 0.0000 0.0000 52052.8150 -109606.2471 299.1482 -161659.0621 -109243.1726 298.6918 -209.8746 -179.9800 761523.8489 -0.2362 -0.2684 PRESSURE: 4612600 -150.974 182.331 -108.124 182.33 -56.1885 292.916 -108.125 292.916 -313.117 GPRESSURE: 4612600 -180.457 168.07 -203.735 234.021 -33.9319 283.169 -114.724 368.348 -226.054 PRESSAVG: 4612600 -58.2237 -14.2024 -1.42633 -14.2023 21.5622 38.1609 -1.42632 38.161 22.4876 GPRESSAVG: 4612600 -57.7643 -16.1799 -1.97517 -12.2064 21.0377 39.2954 -1.9466 38.2691 22.4192 TIMING: 4612600 CPU: 14584.9, 0.0031362/step Wall: 14584.9, 0.0031362/step, 0.33749 hours remaining, 236.734375 MB of memory in use. ENERGY: 4612600 4024.0912 20321.8406 14530.3738 243.4788 -203067.7660 2477.7318 0.0000 0.0000 51940.4068 -109529.8430 298.5022 -161470.2498 -109168.9058 298.7020 -173.4266 -146.8143 761619.2718 -4.7246 -4.7691 PRESSURE: 4612800 4.98559 -117.182 -499.947 -117.182 -106.488 67.2087 -499.946 67.2086 -226.763 GPRESSURE: 4612800 107.331 -41.5049 -437.607 -132.226 -125.193 116.606 -418.629 -33.2738 -229.995 PRESSAVG: 4612800 -37.3166 23.9324 -67.5355 23.9324 -19.065 5.66776 -67.5355 5.6678 -15.355 GPRESSAVG: 4612800 -37.7241 26.2045 -67.8268 22.0806 -18.8176 5.11145 -68.0858 8.32996 -15.7077 TIMING: 4612800 CPU: 14585.6, 0.00317311/step Wall: 14585.6, 0.00317311/step, 0.341286 hours remaining, 236.734375 MB of memory in use. ENERGY: 4612800 4059.5552 20598.1584 14511.9626 244.4934 -203447.1010 2725.3608 0.0000 0.0000 51764.5513 -109543.0191 297.4916 -161307.5704 -109187.2887 298.4915 -109.4219 -82.6189 761733.7120 -23.9122 -24.0831 PRESSURE: 4613000 360.284 -79.3956 66.22 -79.3954 -10.8041 -168.456 66.2204 -168.457 745.257 GPRESSURE: 4613000 359.145 -122.968 14.1764 -122.732 94.6788 -132.172 78.2066 -98.9924 713.354 PRESSAVG: 4613000 2.38865 12.1514 -57.0422 12.1514 25.1767 -10.4941 -57.0422 -10.4942 -15.4207 GPRESSAVG: 4613000 1.98983 10.2599 -57.9711 14.524 25.5913 -9.7056 -55.823 -13.3165 -15.3069 TIMING: 4613000 CPU: 14586.2, 0.00315594/step Wall: 14586.2, 0.00315595/step, 0.339264 hours remaining, 236.937500 MB of memory in use. ENERGY: 4613000 3970.1076 20460.2229 14524.0719 243.7338 -203405.4487 2790.3449 0.0000 0.0000 52064.4473 -109352.5202 299.2151 -161416.9675 -108988.5200 298.6735 364.9124 389.0593 762540.1680 4.0482 4.0914 PRESSURE: 4613200 -18.8589 -85.9619 -126.164 -85.9616 -243.847 -77.126 -126.165 -77.1259 -173.272 GPRESSURE: 4613200 25.5023 37.8377 -79.6612 -62.965 -194.767 -32.2627 -142.884 -24.564 -196.118 PRESSAVG: 4613200 -37.5339 -18.0763 46.0508 -18.0763 35.7574 46.1239 46.0508 46.124 0.234803 GPRESSAVG: 4613200 -36.5394 -16.9028 47.1241 -19.8197 35.0943 44.8748 45.8829 48.372 0.327163 TIMING: 4613200 CPU: 14586.8, 0.00315468/step Wall: 14586.8, 0.00315468/step, 0.338953 hours remaining, 236.937500 MB of memory in use. ENERGY: 4613200 4043.2129 20277.3337 14454.2927 241.8051 -203052.5799 2498.6668 0.0000 0.0000 52075.1136 -109462.1551 299.2764 -161537.2687 -109096.2820 298.5821 -145.3260 -121.7942 762024.4925 -0.5139 -0.3726 PRESSURE: 4613400 -17.8664 -29.9406 95.3942 -29.9408 204.769 67.7297 95.3941 67.7307 534.587 GPRESSURE: 4613400 10.5699 -41.4709 168.544 -60.5101 183.507 145.393 74.2227 39.5299 609.456 PRESSAVG: 4613400 -45.8931 -10.6948 -24.097 -10.6948 5.98541 -26.5276 -24.097 -26.5276 -5.36917 GPRESSAVG: 4613400 -46.7699 -11.3875 -23.5193 -9.84657 6.67952 -25.7424 -26.1837 -27.0154 -4.90872 TIMING: 4613400 CPU: 14587.5, 0.00314566/step Wall: 14587.5, 0.00314566/step, 0.337809 hours remaining, 236.937500 MB of memory in use. ENERGY: 4613400 3984.4271 20479.8462 14445.9552 268.5121 -203419.8712 2748.7200 0.0000 0.0000 51924.7903 -109567.6204 298.4125 -161492.4107 -109216.7174 298.5737 240.4965 267.8445 762076.7763 -15.0923 -14.9997 PRESSURE: 4613600 -73.6451 6.80835 212.934 6.80839 -419.373 48.8572 212.934 48.8563 -245.549 GPRESSURE: 4613600 -178.88 89.1094 150.257 -33.548 -285.782 106.459 228.011 87.7519 -179.285 PRESSAVG: 4613600 10.8635 -29.3622 12.7652 -29.362 -28.8966 63.197 12.7651 63.1971 -3.22992 GPRESSAVG: 4613600 11.0917 -27.5448 12.1102 -30.0452 -29.0877 64.3986 12.8185 63.2286 -3.64503 TIMING: 4613600 CPU: 14588.1, 0.00314377/step Wall: 14588.1, 0.00314377/step, 0.337431 hours remaining, 236.937500 MB of memory in use. ENERGY: 4613600 3989.9526 20292.4288 14500.0159 250.1675 -202966.1381 2488.8387 0.0000 0.0000 51893.0927 -109551.6419 298.2303 -161444.7347 -109190.2117 298.4406 -246.1892 -214.6489 762614.9643 -7.0877 -7.2137 PRESSURE: 4613800 -190.961 33.4956 -88.9166 33.4959 219.348 10.1137 -88.9173 10.113 254.977 GPRESSURE: 4613800 -118.749 -44.6717 -106.678 28.985 230.041 -4.57912 52.2649 -4.5114 235.381 PRESSAVG: 4613800 -2.3927 18.3825 -6.36725 18.3826 40.9604 -17.908 -6.36721 -17.9081 -9.03131 GPRESSAVG: 4613800 -1.51337 16.6832 -6.77485 20.7858 38.8336 -18.8512 -3.0688 -20.2653 -8.14637 TIMING: 4613800 CPU: 14588.7, 0.0031326/step Wall: 14588.7, 0.0031326/step, 0.336059 hours remaining, 236.937500 MB of memory in use. ENERGY: 4613800 4003.6839 20705.1316 14493.6137 251.3286 -203414.1868 2821.3068 0.0000 0.0000 51763.6806 -109375.4417 297.4866 -161139.1224 -109020.2121 298.9095 94.4545 115.5579 760788.8282 9.8455 9.7246 PRESSURE: 4614000 -249.341 16.7562 56.8162 16.7554 -271.504 102.52 56.8154 102.52 58.5693 GPRESSURE: 4614000 -205.301 196.645 -23.2766 17.1282 -116.006 66.2065 73.5864 63.3256 -50.9876 PRESSAVG: 4614000 -58.4785 -37.5969 54.7962 -37.5969 5.67809 39.4985 54.7962 39.4986 5.01558 GPRESSAVG: 4614000 -59.8565 -36.4253 52.7762 -40.1642 8.10974 38.1715 55.9624 40.5463 3.83589 TIMING: 4614000 CPU: 14589.4, 0.00312917/step Wall: 14589.4, 0.00312917/step, 0.335517 hours remaining, 236.937500 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: 4614000 4053.4267 20491.8154 14428.3610 228.2554 -203167.3266 2271.0092 0.0000 0.0000 52094.9332 -109599.5258 299.3903 -161694.4590 -109233.9668 298.7945 -154.0920 -124.0982 761891.8865 -15.9283 -15.9703 PRESSURE: 4614200 68.1389 35.3094 56.1189 35.3104 13.8213 229.247 56.1194 229.247 -144.113 GPRESSURE: 4614200 111.938 84.0748 41.8462 75.993 -26.5825 273.491 166.546 370.729 -68.3632 PRESSAVG: 4614200 1.59547 45.0787 30.5016 45.0788 -9.5142 29.5694 30.5017 29.5694 3.8428 GPRESSAVG: 4614200 0.96414 43.8147 31.0191 44.3291 -10.3214 29.6724 29.1145 28.4151 5.12445 TIMING: 4614200 CPU: 14590, 0.00314675/step Wall: 14590, 0.00314675/step, 0.337227 hours remaining, 236.937500 MB of memory in use. ENERGY: 4614200 3995.4230 20449.1293 14451.9060 247.0768 -203630.3218 2888.1559 0.0000 0.0000 51879.9415 -109718.6892 298.1547 -161598.6307 -109360.1795 298.4259 -20.7177 5.6641 761048.9460 -1.3586 -1.4109 PRESSURE: 4614400 -466.142 -326.387 -70.2111 -326.386 -203.841 -247.643 -70.2105 -247.643 157.458 GPRESSURE: 4614400 -385.653 -304.496 -26.9544 -249.929 -193.839 -202.565 -232.408 -213.221 148.096 PRESSAVG: 4614400 -29.5833 -4.53381 -13.6147 -4.53376 5.22902 -10.3352 -13.6147 -10.3352 -12.7136 GPRESSAVG: 4614400 -29.336 -3.30438 -12.5168 -2.34598 4.20559 -8.82648 -16.0732 -9.82606 -12.021 TIMING: 4614400 CPU: 14590.6, 0.00315504/step Wall: 14590.6, 0.00315504/step, 0.33794 hours remaining, 236.937500 MB of memory in use. ENERGY: 4614400 4009.6416 20505.2664 14430.5474 246.9238 -202997.5227 2292.0406 0.0000 0.0000 51992.2999 -109520.8030 298.8005 -161513.1029 -109157.4707 299.0027 -170.8417 -143.7989 762598.3775 -12.3559 -12.3838 PRESSURE: 4614600 -267.947 40.7764 -58.8977 40.776 -341.808 116.389 -58.8973 116.388 -31.7336 GPRESSURE: 4614600 -171.439 -53.1047 13.6307 12.3663 -267.246 100.259 -151.693 180.682 -129.721 PRESSAVG: 4614600 9.58296 -22.6474 -50.7713 -22.6473 24.5479 24.2222 -50.7713 24.2221 17.5654 GPRESSAVG: 4614600 8.97046 -22.9299 -50.4823 -23.769 26.9243 21.6507 -46.7498 25.5145 15.1893 TIMING: 4614600 CPU: 14591.2, 0.00316552/step Wall: 14591.2, 0.00316552/step, 0.338887 hours remaining, 236.937500 MB of memory in use. ENERGY: 4614600 3962.3056 20460.2578 14461.5907 245.3740 -203213.7989 2387.6588 0.0000 0.0000 51911.7438 -109784.8683 298.3375 -161696.6120 -109421.4549 298.3592 -213.8295 -189.4686 763601.6682 17.2321 17.0280 PRESSURE: 4614800 67.9467 184.188 -234.94 184.188 15.3335 -53.4759 -234.94 -53.4762 -12.6177 GPRESSURE: 4614800 188.489 220.097 -206.482 56.4162 43.1362 -166.224 -440.619 -80.3994 -68.2986 PRESSAVG: 4614800 -5.46262 0.44215 -3.08343 0.442239 17.1146 21.2278 -3.08343 21.2278 -11.2457 GPRESSAVG: 4614800 -4.17643 1.32416 -2.87517 0.575802 14.769 22.9019 -7.25379 20.7558 -10.5015 TIMING: 4614800 CPU: 14591.9, 0.0031523/step Wall: 14591.9, 0.0031523/step, 0.337296 hours remaining, 236.937500 MB of memory in use. ENERGY: 4614800 3940.7713 20461.9514 14407.9926 236.6255 -203482.3990 2714.0080 0.0000 0.0000 51946.7732 -109774.2769 298.5388 -161721.0502 -109415.4206 297.7462 23.5542 54.4422 761227.8259 0.1354 0.0304 PRESSURE: 4615000 260.631 62.2242 69.5994 62.2247 13.7715 44.4997 69.6003 44.4989 190.354 GPRESSURE: 4615000 168.931 -46.7418 6.37532 46.4598 151.078 26.15 28.3968 40.5662 206.543 PRESSAVG: 4615000 -8.60914 -7.20291 13.5748 -7.20284 45.8579 31.67 13.5748 31.67 2.06006 GPRESSAVG: 4615000 -8.99508 -9.40005 13.0146 -5.49313 46.5629 30.9987 15.1963 33.3314 1.82285 TIMING: 4615000 CPU: 14592.5, 0.00315611/step Wall: 14592.5, 0.00315611/step, 0.337528 hours remaining, 236.937500 MB of memory in use. ENERGY: 4615000 3924.1558 20505.7745 14431.6105 240.9688 -203509.1079 2739.2107 0.0000 0.0000 52009.8799 -109657.5077 298.9015 -161667.3875 -109307.0798 298.5383 154.9189 175.5171 761605.3238 13.1029 13.1302 PRESSURE: 4615200 105.307 -43.1737 -52.2072 -43.1748 -166.906 -125.027 -52.2075 -125.027 -71.0008 GPRESSURE: 4615200 187.767 -0.7931 -71.9211 -26.0465 -164.446 -127.802 8.54148 -91.3054 -80.8138 PRESSAVG: 4615200 90.282 -30.4374 -5.52444 -30.4373 -71.4439 8.56843 -5.52446 8.56837 -5.31519 GPRESSAVG: 4615200 89.4836 -30.039 -5.42736 -31.3438 -70.5875 10.53 -4.87925 7.98353 -5.74368 TIMING: 4615200 CPU: 14593.1, 0.00314422/step Wall: 14593.1, 0.00314422/step, 0.336083 hours remaining, 236.937500 MB of memory in use. ENERGY: 4615200 3931.3150 20398.3541 14522.5925 230.6969 -203068.2873 2434.6341 0.0000 0.0000 51767.2003 -109783.4944 297.5068 -161550.6947 -109427.7272 298.2359 -44.2001 -19.1643 760160.2637 4.5077 4.3841 PRESSURE: 4615400 -705.087 -37.715 -80.9679 -37.7146 -247.946 183.662 -80.9673 183.662 -333.139 GPRESSURE: 4615400 -636.895 -29.4846 -142.631 -51.5388 -234.693 107.937 -91.8698 168.299 -342.919 PRESSAVG: 4615400 23.3553 23.9567 11.9456 23.9567 -27.444 -7.92652 11.9457 -7.92655 -4.43613 GPRESSAVG: 4615400 24.5577 24.3014 11.7531 24.4801 -28.7199 -9.10007 11.5634 -10.1491 -4.01434 TIMING: 4615400 CPU: 14593.8, 0.00313754/step Wall: 14593.8, 0.00313754/step, 0.335194 hours remaining, 236.937500 MB of memory in use. ENERGY: 4615400 3985.8523 20467.6487 14477.7003 253.8063 -202849.3059 2140.1984 0.0000 0.0000 51889.3774 -109634.7226 298.2090 -161524.1000 -109275.5679 298.0893 -428.7237 -404.8355 762495.3455 -2.8416 -2.7255 PRESSURE: 4615600 -390.92 -173.071 -20.6881 -173.071 29.7538 118.139 -20.6884 118.138 111.538 GPRESSURE: 4615600 -434.698 -52.0846 -94.4912 -239.603 145.446 159.481 73.3886 176.288 105.51 PRESSAVG: 4615600 -10.8711 9.8859 -0.249346 9.886 -32.3167 7.99204 -0.249328 7.99201 21.1448 GPRESSAVG: 4615600 -11.5042 10.9231 -0.624724 9.23085 -32.1756 8.94601 -1.41555 9.12601 21.6071 TIMING: 4615600 CPU: 14594.4, 0.00313575/step Wall: 14594.4, 0.00313575/step, 0.334828 hours remaining, 236.937500 MB of memory in use. ENERGY: 4615600 3975.8701 20518.2114 14453.4208 264.0150 -203192.1032 2463.2064 0.0000 0.0000 51999.7542 -109517.6253 298.8433 -161517.3795 -109171.1731 299.0131 -83.2096 -61.2477 761832.9224 -7.3477 -7.3576 PRESSURE: 4615800 -104.404 -265.743 8.40882 -265.744 -50.3939 -34.2647 8.40762 -34.2649 -236.678 GPRESSURE: 4615800 -82.084 -190.647 -20.8912 -238.857 -48.9579 -67.3715 108.809 -47.7098 -165.754 PRESSAVG: 4615800 35.2574 40.0089 -21.6646 40.0088 -46.8782 -0.890466 -21.6646 -0.89045 -28.7312 GPRESSAVG: 4615800 35.0772 38.626 -22.7197 41.4245 -45.5285 0.707944 -18.7276 -2.4751 -29.9928 TIMING: 4615800 CPU: 14595, 0.00315785/step Wall: 14595, 0.00315785/step, 0.337013 hours remaining, 236.937500 MB of memory in use. ENERGY: 4615800 3985.9640 20521.2005 14468.7513 237.8378 -203587.5466 2813.8980 0.0000 0.0000 51812.8209 -109747.0740 297.7690 -161559.8949 -109391.4041 298.8567 -130.4921 -98.9320 762640.2275 -13.4507 -13.4814 PRESSURE: 4616000 234.662 62.347 -103.734 62.3473 43.8032 -32.023 -103.734 -32.0213 140.703 GPRESSURE: 4616000 170.403 -19.6456 -108.693 210.138 170.273 17.8665 -164.977 -132.268 175.055 PRESSAVG: 4616000 2.12222 37.7827 13.8678 37.7828 31.9844 26.8422 13.8678 26.8422 -10.8915 GPRESSAVG: 4616000 2.41986 38.5866 15.9489 37.3654 30.4749 23.1358 12.4194 27.0172 -9.41372 TIMING: 4616000 CPU: 14595.7, 0.00315567/step Wall: 14595.7, 0.00315567/step, 0.336605 hours remaining, 236.937500 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: 4616000 3990.4220 20524.7184 14389.0154 250.9680 -203987.2466 3007.7562 0.0000 0.0000 52055.6683 -109768.6983 299.1646 -161824.3666 -109413.9142 298.6160 139.7226 171.9100 763105.2778 7.7383 7.8270 PRESSURE: 4616200 -43.2545 59.4215 -52.3806 59.4214 -136.128 -144.622 -52.3804 -144.621 -427.189 GPRESSURE: 4616200 23.3145 26.0534 -68.923 -10.1179 -74.8191 -83.3485 -16.7819 -22.7026 -475.056 PRESSAVG: 4616200 7.16369 13.9798 -13.1574 13.9798 -14.6821 -23.9934 -13.1574 -23.9934 5.50013 GPRESSAVG: 4616200 7.96573 12.4022 -13.7917 12.9689 -14.6563 -22.269 -14.4492 -21.3485 4.41147 TIMING: 4616200 CPU: 14596.3, 0.00315724/step Wall: 14596.3, 0.00315724/step, 0.336597 hours remaining, 236.937500 MB of memory in use. ENERGY: 4616200 4089.8046 20510.6046 14432.8438 261.4186 -203560.5691 2606.7893 0.0000 0.0000 51949.7331 -109709.3750 298.5558 -161659.1081 -109345.8138 297.9466 -202.1906 -175.5202 761829.6330 -0.6728 -0.7597 LDB: ============= START OF LOAD BALANCING ============== 14608.8 LDB: ============== END OF LOAD BALANCING =============== 14608.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14608.8 LDB: ============= START OF LOAD BALANCING ============== 14609.1 LDB: Largest compute 7077 load 0.034177 is 17.5% of average load 0.195538 LDB: Average compute 0.004397 is 2.2% of average load 0.195538 LDB: TIME 14609.1 LOAD: AVG 0.195538 MAX 0.213547 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.137 MB LDB: TIME 14609.1 LOAD: AVG 0.195538 MAX 0.213547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.34 MB LDB: TIME 14609.1 LOAD: AVG 0.195538 MAX 0.213547 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.34 MB LDB: ============== END OF LOAD BALANCING =============== 14609.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14609.2 PRESSURE: 4616400 -359.757 83.3412 -199.904 83.3411 250.213 -95.464 -199.904 -95.4646 -81.2708 GPRESSURE: 4616400 -305.466 116.023 -232.742 39.3467 232.752 -68.8539 -220.102 -21.512 -42.4103 PRESSAVG: 4616400 -8.38305 22.3779 -19.325 22.3779 19.3782 22.032 -19.325 22.032 8.89706 GPRESSAVG: 4616400 -8.55682 21.8786 -18.8831 23.7488 20.2688 21.8259 -18.6739 20.2827 8.25033 TIMING: 4616400 CPU: 14596.9, 0.00324222/step Wall: 14596.9, 0.00324222/step, 0.345477 hours remaining, 235.652344 MB of memory in use. ENERGY: 4616400 4035.6213 20563.1390 14454.6956 227.9217 -203840.2967 2915.1601 0.0000 0.0000 52086.0229 -109557.7361 299.3391 -161643.7590 -109194.8163 298.7615 -63.6052 -38.3747 760116.7808 6.6307 6.6541 PRESSURE: 4616600 188.007 -84.0275 117.863 -84.0283 11.1517 7.95188 117.863 7.9506 -198.254 GPRESSURE: 4616600 204.477 -78.6072 81.4589 -201.972 70.9389 3.41012 119.83 54.2164 -193.338 PRESSAVG: 4616600 1.45338 -37.1844 21.7532 -37.1845 -18.2091 -13.7932 21.7533 -13.7931 3.67099 GPRESSAVG: 4616600 1.71426 -36.8291 21.0673 -39.6594 -18.0562 -13.4359 19.7597 -14.8278 3.1291 TIMING: 4616600 CPU: 14597.6, 0.003139/step Wall: 14597.6, 0.003139/step, 0.334304 hours remaining, 236.097656 MB of memory in use. ENERGY: 4616600 4029.0223 20386.2189 14431.0833 237.0669 -203365.9257 2652.9231 0.0000 0.0000 52099.5677 -109530.0435 299.4169 -161629.6112 -109165.4928 299.0373 0.3018 27.3593 760256.2142 -4.3616 -4.4043 PRESSURE: 4616800 -207.319 -9.49381 132.449 -9.4936 -203 -59.164 132.449 -59.1642 -286.629 GPRESSURE: 4616800 -122.805 15.9792 165.858 -78.6631 -109.17 -23.6804 99.8085 -135.012 -353.105 PRESSAVG: 4616800 9.24811 -18.7803 -11.8513 -18.7802 -7.27547 24.4522 -11.8513 24.4522 -14.3325 GPRESSAVG: 4616800 10.4389 -19.1392 -12.2239 -16.902 -8.30059 22.0008 -10.9065 26.5442 -14.2871 TIMING: 4616800 CPU: 14598.2, 0.00315416/step Wall: 14598.2, 0.00315416/step, 0.335743 hours remaining, 236.097656 MB of memory in use. ENERGY: 4616800 4028.4311 20471.9482 14489.1371 237.0654 -203253.6076 2541.7478 0.0000 0.0000 51856.0558 -109629.2221 298.0175 -161485.2779 -109271.6436 298.7396 -232.3164 -195.0269 761378.8117 -4.1199 -4.0496 PRESSURE: 4617000 -137.707 -20.4101 -45.2542 -20.4096 31.5248 109.673 -45.2535 109.674 -413.997 GPRESSURE: 4617000 -110.584 -83.1157 1.71508 -79.4005 73.1551 134.698 -19.6095 1.27615 -379.448 PRESSAVG: 4617000 -21.8492 -11.3487 5.47783 -11.3487 -8.48207 -36.6543 5.47784 -36.6544 9.55386 GPRESSAVG: 4617000 -23.5133 -12.0704 7.64724 -12.0909 -8.31816 -34.253 6.76999 -36.6769 11.1422 TIMING: 4617000 CPU: 14598.8, 0.00315203/step Wall: 14598.8, 0.00315203/step, 0.335341 hours remaining, 236.097656 MB of memory in use. ENERGY: 4617000 3958.4261 20531.5799 14506.5711 258.0653 -203241.4635 2382.9090 0.0000 0.0000 52063.5455 -109540.3667 299.2099 -161603.9122 -109164.8771 298.6017 -173.3931 -138.9589 758241.3004 -6.9258 -6.8964 PRESSURE: 4617200 -6.96117 -28.314 -166.504 -28.3128 -360.384 -36.4554 -166.503 -36.4565 76.0993 GPRESSURE: 4617200 -13.7031 54.775 -190.95 -54.421 -255.753 -64.6059 -211.857 13.2607 52.7576 PRESSAVG: 4617200 10.6012 5.18638 -45.6718 5.18637 28.6098 50.468 -45.6718 50.468 6.5764 GPRESSAVG: 4617200 10.4774 7.10721 -47.4304 6.10706 28.1177 49.9761 -46.4166 50.0747 6.88189 TIMING: 4617200 CPU: 14599.5, 0.0031784/step Wall: 14599.5, 0.0031784/step, 0.33797 hours remaining, 236.097656 MB of memory in use. ENERGY: 4617200 3987.1387 20580.0324 14497.7789 241.3101 -203285.0949 2600.0840 0.0000 0.0000 52102.7174 -109276.0333 299.4350 -161378.7507 -108914.1803 299.6155 -97.0820 -72.2329 761739.3321 15.2625 15.1590 PRESSURE: 4617400 30.824 30.5147 -86.2771 30.5147 -71.8072 70.1015 -86.2766 70.1003 148.604 GPRESSURE: 4617400 82.3678 34.2702 -42.4176 76.0817 -45.7142 158.309 -69.8084 140.182 149.396 PRESSAVG: 4617400 37.9925 -19.421 -5.13329 -19.421 -60.1679 38.1541 -5.13329 38.1541 -3.91901 GPRESSAVG: 4617400 38.4405 -21.4394 -4.34223 -18.1819 -59.27 37.9551 -5.25983 37.059 -5.06284 TIMING: 4617400 CPU: 14600.1, 0.00315433/step Wall: 14600.1, 0.00315433/step, 0.335235 hours remaining, 236.097656 MB of memory in use. ENERGY: 4617400 3961.0195 20537.0442 14513.8155 252.0287 -203402.2013 2622.4169 0.0000 0.0000 51977.1035 -109538.7728 298.7131 -161515.8764 -109170.8146 298.9932 35.8736 62.0165 760821.1268 -8.6981 -8.6308 PRESSURE: 4617600 12.0058 79.7019 40.8785 79.7016 247.49 125.715 40.8766 125.716 314.22 GPRESSURE: 4617600 23.0116 17.7979 61.2449 132.705 296.255 12.9736 57.7936 143.121 332.919 PRESSAVG: 4617600 -13.0743 42.2774 24.2323 42.2775 5.1381 88.5913 24.2323 88.5913 25.8625 GPRESSAVG: 4617600 -11.9682 41.8077 21.719 41.9057 4.73645 87.2692 25.3095 91.2235 25.1083 TIMING: 4617600 CPU: 14600.7, 0.00316278/step Wall: 14600.7, 0.00316278/step, 0.335958 hours remaining, 236.097656 MB of memory in use. ENERGY: 4617600 3913.3503 20601.3318 14420.0841 240.8610 -203296.2822 2567.6236 0.0000 0.0000 51905.3123 -109647.7191 298.3005 -161553.0314 -109282.4548 298.4983 191.2385 217.3952 761354.8869 5.9754 5.9588 PRESSURE: 4617800 -82.2348 -85.8043 9.7803 -85.8048 164.229 -158.265 9.77983 -158.264 -141.833 GPRESSURE: 4617800 42.2829 -50.0854 -40.2281 -61.1735 117.514 -112.733 39.1895 -284.272 -131.291 PRESSAVG: 4617800 -15.5281 -23.468 -1.54798 -23.4679 43.6044 28.3191 -1.54792 28.3192 -31.4752 GPRESSAVG: 4617800 -16.4583 -24.4843 1.53966 -23.8187 43.04 29.2022 -4.1736 27.254 -29.7058 TIMING: 4617800 CPU: 14601.4, 0.00316312/step Wall: 14601.4, 0.00316312/step, 0.335818 hours remaining, 236.097656 MB of memory in use. ENERGY: 4617800 4025.4414 20671.3923 14475.2654 246.8606 -203274.1592 2582.2377 0.0000 0.0000 51701.4228 -109571.5390 297.1288 -161272.9618 -109216.4550 299.0625 -19.9464 9.5022 762410.4347 -1.1330 -1.0414 PRESSURE: 4618000 -48.2306 -86.7477 114.057 -86.7482 318.719 20.0853 114.057 20.0843 208.56 GPRESSURE: 4618000 52.6673 -10.8342 22.705 -154.952 278.078 -63.996 39.8849 -16.6439 228.109 PRESSAVG: 4618000 -10.0032 -63.0862 -23.9917 -63.0862 -6.41064 -8.9747 -23.9917 -8.97465 11.0388 GPRESSAVG: 4618000 -10.6042 -62.2191 -25.6502 -64.7833 -4.98138 -7.71065 -21.6762 -8.48341 10.2999 TIMING: 4618000 CPU: 14602, 0.00314866/step Wall: 14602, 0.00314866/step, 0.334108 hours remaining, 236.097656 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: 4618000 4013.2668 20443.7656 14402.4159 232.2611 -203293.2005 2581.9624 0.0000 0.0000 52230.3579 -109389.1709 300.1686 -161619.5288 -109022.2652 298.9777 159.6827 186.2848 761394.3296 -1.7917 -1.7619 PRESSURE: 4618200 37.5845 -11.4771 -4.17236 -11.4768 228.244 94.1817 -4.17306 94.1819 -431.099 GPRESSURE: 4618200 57.9486 -47.8864 -12.8705 98.2399 186.546 66.9076 -62.9978 90.7807 -318.143 PRESSAVG: 4618200 4.80338 -7.21228 8.21296 -7.21223 2.76993 12.9439 8.21297 12.9439 -32.6295 GPRESSAVG: 4618200 5.73145 -5.84434 9.55169 -7.70495 2.25029 11.5967 4.54095 12.0486 -32.5775 TIMING: 4618200 CPU: 14602.6, 0.00314862/step Wall: 14602.6, 0.00314862/step, 0.333929 hours remaining, 236.097656 MB of memory in use. ENERGY: 4618200 4025.3019 20574.3195 14411.9854 234.5550 -203566.1031 2705.1564 0.0000 0.0000 52210.0261 -109404.7589 300.0517 -161614.7850 -109037.7935 299.5015 -55.0902 -24.5494 761360.7620 -8.3521 -8.1986 PRESSURE: 4618400 -97.6695 141.83 -20.0222 141.831 249.529 85.7131 -20.0213 85.7127 61.3936 GPRESSURE: 4618400 -145.102 161.975 15.6701 200.543 308.283 93.9334 12.3399 147.524 136.658 PRESSAVG: 4618400 30.1169 24.1719 23.1853 24.1719 12.9596 78.2369 23.1854 78.2369 6.82945 GPRESSAVG: 4618400 28.9809 23.5328 22.6161 25.0009 13.7999 79.6475 23.8624 78.5954 6.32377 TIMING: 4618400 CPU: 14603.2, 0.00315129/step Wall: 14603.2, 0.00315129/step, 0.334037 hours remaining, 236.097656 MB of memory in use. ENERGY: 4618400 3909.8550 20563.8113 14496.0971 252.9821 -203585.1201 2740.8458 0.0000 0.0000 52154.4118 -109467.1170 299.7321 -161621.5289 -109101.2819 299.2395 71.0844 99.9467 761508.0201 16.6353 16.3682 PRESSURE: 4618600 -63.4736 -79.8233 97.0705 -79.8221 18.2903 -51.9632 97.0711 -51.9625 -79.1663 GPRESSURE: 4618600 -11.6818 -22.2689 11.6737 -0.0126005 7.29502 92.2379 69.0919 -154.369 -52.0983 PRESSAVG: 4618600 40.7886 -28.3932 34.1277 -28.3932 -14.1578 -23.9454 34.1278 -23.9454 -4.95206 GPRESSAVG: 4618600 40.1996 -27.5696 35.3348 -27.7783 -15.3704 -25.8671 34.2031 -21.3666 -3.33401 TIMING: 4618600 CPU: 14603.9, 0.0031514/step Wall: 14603.9, 0.0031514/step, 0.333873 hours remaining, 236.097656 MB of memory in use. ENERGY: 4618600 4039.4455 20636.4045 14471.3026 254.1864 -203575.7690 2851.6841 0.0000 0.0000 52006.5114 -109316.2345 298.8821 -161322.7459 -108965.1526 298.7275 -41.4498 -18.8284 763946.9874 7.2262 7.1651 PRESSURE: 4618800 79.8432 -163.082 121.938 -163.081 -120.362 340.181 121.937 340.181 -16.9318 GPRESSURE: 4618800 78.0328 -110.996 98.2926 -198.357 14.7442 306.193 116.91 310.182 -70.7092 PRESSAVG: 4618800 -26.195 -29.4299 23.9539 -29.4299 23.5685 -32.5933 23.9539 -32.5934 5.06296 GPRESSAVG: 4618800 -25.5473 -29.8778 25.8663 -29.9339 23.6602 -30.841 24.9021 -33.2212 4.26312 TIMING: 4618800 CPU: 14604.5, 0.00315972/step Wall: 14604.5, 0.00315972/step, 0.33458 hours remaining, 236.097656 MB of memory in use. ENERGY: 4618800 3995.2842 20514.2288 14564.5455 256.4337 -203129.3743 2598.1773 0.0000 0.0000 51997.4303 -109203.2745 298.8299 -161200.7049 -108853.6264 299.3512 -19.1501 7.3559 762476.7964 0.8122 0.7920 PRESSURE: 4619000 -162.419 -62.9337 203.803 -62.933 -30.008 -50.3376 203.804 -50.3372 -125.946 GPRESSURE: 4619000 -113.979 -29.2462 175.676 -50.7472 -27.5498 -6.62018 162.579 103.318 -92.0661 PRESSAVG: 4619000 1.02398 -44.7373 29.8761 -44.7373 8.02085 55.0221 29.8761 55.0222 25.1799 GPRESSAVG: 4619000 1.92014 -44.279 27.9753 -44.7604 7.24942 54.6459 29.195 56.7029 24.7366 TIMING: 4619000 CPU: 14605.1, 0.00314459/step Wall: 14605.1, 0.00314459/step, 0.332803 hours remaining, 236.097656 MB of memory in use. ENERGY: 4619000 3998.8718 20538.3062 14465.2270 255.3485 -203207.1990 2479.5014 0.0000 0.0000 52162.8382 -109307.1060 299.7805 -161469.9441 -108952.2213 299.1879 -106.1240 -77.8649 760662.8720 11.4082 11.3021 PRESSURE: 4619200 -48.4152 26.0728 81.3549 26.073 88.1874 -32.0878 81.3544 -32.0864 61.8127 GPRESSURE: 4619200 6.15506 -5.50417 87.0053 -7.00872 122.171 14.0878 102.988 -110.281 43.5451 PRESSAVG: 4619200 30.9095 54.7904 46.4285 54.7905 -34.0177 17.6007 46.4285 17.6007 -0.829255 GPRESSAVG: 4619200 30.2778 52.927 45.5292 54.62 -33.4716 20.1783 46.7946 14.0177 -0.27874 TIMING: 4619200 CPU: 14605.8, 0.00314794/step Wall: 14605.8, 0.00314793/step, 0.332982 hours remaining, 236.097656 MB of memory in use. ENERGY: 4619200 4063.2241 20516.0469 14447.3929 227.2211 -202969.1824 2692.2985 0.0000 0.0000 51919.9359 -109103.0630 298.3846 -161022.9989 -108746.0032 299.2909 33.8616 57.2902 762289.4121 -1.3125 -1.1575 PRESSURE: 4619400 -66.039 -65.3401 -113.936 -65.3397 -230.887 28.5147 -113.936 28.5143 -22.8128 GPRESSURE: 4619400 34.6821 -67.2473 -43.062 -23.955 -238.917 -91.4364 -154.454 -80.4719 -23.7613 PRESSAVG: 4619400 30.8468 1.83391 22.1134 1.83393 -61.3384 14.2509 22.1133 14.2509 11.2292 GPRESSAVG: 4619400 31.3963 2.41852 22.9663 2.23082 -60.8246 12.6087 21.712 14.4367 11.0098 TIMING: 4619400 CPU: 14606.4, 0.00315524/step Wall: 14606.4, 0.00315524/step, 0.333578 hours remaining, 236.097656 MB of memory in use. ENERGY: 4619400 4086.0851 20619.6734 14457.8141 254.8773 -203082.0428 2531.7851 0.0000 0.0000 52042.0346 -109089.7732 299.0863 -161131.8078 -108721.3423 299.4499 -106.5796 -75.9986 762265.9634 -6.4208 -6.1395 PRESSURE: 4619600 122.692 -171.87 -135.858 -171.871 -142.745 -90.4056 -135.858 -90.4051 -188.603 GPRESSURE: 4619600 132.963 -92.6235 -107.2 -93.1741 -11.6683 -50.3215 -61.6902 -33.2807 -252.913 PRESSAVG: 4619600 34.18 -43.4819 -52.5649 -43.482 -27.2601 -60.5581 -52.5648 -60.558 -11.6775 GPRESSAVG: 4619600 35.3301 -41.1576 -51.4521 -44.6675 -27.5282 -61.4044 -52.8378 -60.3891 -12.9138 TIMING: 4619600 CPU: 14607, 0.00315172/step Wall: 14607, 0.00315172/step, 0.333032 hours remaining, 236.097656 MB of memory in use. ENERGY: 4619600 3983.1060 20414.3207 14578.1550 249.3190 -203387.6074 2530.1997 0.0000 0.0000 52591.1021 -109041.4048 302.2418 -161632.5070 -108669.6444 300.4473 -69.5521 -43.8729 761763.3278 -1.5859 -1.7040 PRESSURE: 4619800 258.137 -55.8158 111.097 -55.8159 -56.4 0.453355 111.097 0.453815 115.546 GPRESSURE: 4619800 247.738 -50.4149 38.0083 -98.5974 2.52331 -43.121 111.863 -38.3635 146.77 PRESSAVG: 4619800 -4.23154 -1.33817 -56.9229 -1.33815 -33.8811 1.44343 -56.9228 1.44349 -5.15045 GPRESSAVG: 4619800 -5.02247 -3.80246 -58.7339 -1.06448 -32.9274 2.4108 -54.9925 0.837918 -4.92708 TIMING: 4619800 CPU: 14607.7, 0.00314436/step Wall: 14607.7, 0.00314436/step, 0.332079 hours remaining, 236.097656 MB of memory in use. ENERGY: 4619800 4036.6911 20635.0064 14494.0884 256.0922 -203404.4772 2788.5922 0.0000 0.0000 51958.4455 -109235.5616 298.6059 -161194.0070 -108874.9285 299.5499 105.7611 132.3437 760975.9899 -14.4210 -14.2923 PRESSURE: 4620000 -81.1122 -272.816 -372.018 -272.815 280.955 -127.332 -372.018 -127.333 -259.044 GPRESSURE: 4620000 -11.3819 -212.537 -256.643 -307.826 218.497 -69.2958 -289.671 -9.9637 -168.421 PRESSAVG: 4620000 -26.5569 -47.5605 -23.8733 -47.5605 41.3074 1.01476 -23.8733 1.01481 23.2096 GPRESSAVG: 4620000 -26.7363 -45.8929 -22.2903 -47.1727 40.1358 -1.83283 -26.6894 3.2662 24.2759 TIMING: 4620000 CPU: 14608.3, 0.00316202/step Wall: 14608.3, 0.00316202/step, 0.333768 hours remaining, 236.097656 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: 4620000 3991.5678 20481.6303 14564.1348 230.5462 -203413.4254 2694.3242 0.0000 0.0000 52302.7967 -109148.4253 300.5849 -161451.2220 -108784.1668 299.6049 -19.7338 12.8983 761004.2776 12.6534 12.5585 PRESSURE: 4620200 -49.5854 97.2956 -0.366864 97.2944 -340.412 -45.4858 -0.367155 -45.4862 81.8835 GPRESSURE: 4620200 28.7196 49.2128 19.6039 56.7895 -329.174 38.4473 26.1572 -13.4862 80.3986 PRESSAVG: 4620200 1.01161 -49.2257 -1.51257 -49.2257 -14.7117 49.0418 -1.51262 49.0418 -0.950401 GPRESSAVG: 4620200 -0.315072 -48.626 -1.33747 -46.4275 -14.2873 52.7413 -0.318903 48.1729 -0.52927 TIMING: 4620200 CPU: 14608.9, 0.00314873/step Wall: 14608.9, 0.00314873/step, 0.332191 hours remaining, 236.097656 MB of memory in use. ENERGY: 4620200 4038.8119 20496.6743 14478.0001 254.3571 -202754.4898 2452.9494 0.0000 0.0000 51980.8103 -109052.8868 298.7344 -161033.6971 -108683.4104 299.4218 -102.7048 -73.3520 764130.9364 -4.8835 -5.0439 LDB: ============= START OF LOAD BALANCING ============== 14621.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14621.5 LDB: =============== DONE WITH MIGRATION ================ 14621.5 LDB: ============= START OF LOAD BALANCING ============== 14621.8 LDB: Largest compute 7077 load 0.035766 is 18.3% of average load 0.195647 LDB: Average compute 0.004402 is 2.3% of average load 0.195647 LDB: TIME 14621.8 LOAD: AVG 0.195647 MAX 0.213474 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.434 MB LDB: TIME 14621.8 LOAD: AVG 0.195647 MAX 0.213474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: TIME 14621.8 LOAD: AVG 0.195647 MAX 0.213474 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.434 MB LDB: ============== END OF LOAD BALANCING =============== 14621.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14621.8 PRESSURE: 4620400 -266.992 47.7965 97.3041 47.7954 -275.27 47.2679 97.3032 47.2674 116.527 GPRESSURE: 4620400 -249.884 -107.876 64.1585 21.2694 -109.114 -6.62921 -13.3838 81.1705 4.60052 PRESSAVG: 4620400 4.48768 -7.71378 57.5941 -7.7138 13.4527 -3.73957 57.5942 -3.73958 0.851494 GPRESSAVG: 4620400 6.10562 -9.70281 56.9131 -10.2667 12.9132 -5.78808 57.4563 -3.8615 -0.429189 TIMING: 4620400 CPU: 14609.6, 0.00322939/step Wall: 14609.6, 0.00322939/step, 0.340521 hours remaining, 236.164062 MB of memory in use. ENERGY: 4620400 4003.7758 20535.9316 14416.1555 240.5195 -202975.1603 2391.0991 0.0000 0.0000 52176.2494 -109211.4293 299.8576 -161387.6788 -108847.5825 299.6016 -141.9116 -118.1327 764807.4716 6.2640 6.1966 PRESSURE: 4620600 -90.1494 -130.006 -229.451 -130.007 -153.734 88.6301 -229.451 88.6289 -370.851 GPRESSURE: 4620600 -78.7387 -20.0479 -313.452 -95.8516 -110.724 25.5988 -119.53 -59.408 -349.859 PRESSAVG: 4620600 3.68875 17.2089 -25.5537 17.2089 -20.3907 -21.7443 -25.5536 -21.7443 1.66821 GPRESSAVG: 4620600 3.42355 19.2314 -25.2752 17.2768 -20.3823 -21.2701 -26.0371 -21.1279 2.16173 TIMING: 4620600 CPU: 14610.2, 0.0031658/step Wall: 14610.2, 0.0031658/step, 0.33364 hours remaining, 236.164062 MB of memory in use. ENERGY: 4620600 4024.4461 20537.2621 14467.9670 238.6757 -203200.2964 2606.4150 0.0000 0.0000 52221.6771 -109103.8533 300.1187 -161325.5304 -108748.7117 299.6999 -204.9115 -179.7739 763795.4304 -5.0112 -4.9323 PRESSURE: 4620800 109.533 -63.6715 152.745 -63.6714 143.156 309.935 152.745 309.935 46.792 GPRESSURE: 4620800 142.983 -72.0973 78.1169 -87.0035 149.662 217.479 181.404 365.725 77.0959 PRESSAVG: 4620800 14.6051 30.0698 -25.9798 30.0698 9.6508 -4.28142 -25.9797 -4.28139 -20.1502 GPRESSAVG: 4620800 13.5031 28.7529 -26.2755 30.3976 9.34809 -5.80002 -24.4773 -6.71058 -18.8526 TIMING: 4620800 CPU: 14610.8, 0.00316988/step Wall: 14610.8, 0.00316988/step, 0.333894 hours remaining, 236.164062 MB of memory in use. ENERGY: 4620800 4012.8531 20485.8165 14428.2944 252.6732 -203392.0583 2844.2063 0.0000 0.0000 52216.0228 -109152.1921 300.0862 -161368.2149 -108794.3162 299.2462 99.8271 123.2467 762182.4929 1.3686 1.3329 PRESSURE: 4621000 -230.704 123.05 -171.618 123.05 83.6306 -152.127 -171.618 -152.126 53.0303 GPRESSURE: 4621000 -218.854 56.1543 -208.276 102.619 146.118 -163.782 17.1468 -159.913 51.7488 PRESSAVG: 4621000 7.06689 -5.45403 -40.6536 -5.45396 -13.5085 -49.8548 -40.6536 -49.8548 2.31681 GPRESSAVG: 4621000 7.53283 -6.77818 -42.2007 -6.29669 -13.3741 -47.8356 -42.3781 -47.8348 1.43 TIMING: 4621000 CPU: 14611.5, 0.00316024/step Wall: 14611.5, 0.00316024/step, 0.332703 hours remaining, 236.164062 MB of memory in use. ENERGY: 4621000 3914.4071 20638.0825 14518.9557 240.2568 -203482.0985 2893.3428 0.0000 0.0000 52176.0299 -109101.0236 299.8564 -161277.0535 -108739.0721 299.3824 -31.3477 -6.9959 761463.3857 -1.3749 -1.4704 PRESSURE: 4621200 429.657 -0.622272 13.5732 -0.62277 177.953 -178.511 13.5727 -178.51 -21.4598 GPRESSURE: 4621200 474.093 -20.9892 156.443 -56.3287 176.177 -134.639 -47.6152 -225.339 10.0096 PRESSAVG: 4621200 27.6872 14.7365 64.8071 14.7366 -22.9445 22.5089 64.8071 22.5088 13.5321 GPRESSAVG: 4621200 26.8348 17.3064 66.5867 17.1624 -21.6556 22.2958 66.4586 21.0407 12.9635 TIMING: 4621200 CPU: 14612.1, 0.00313728/step Wall: 14612.1, 0.00313728/step, 0.330112 hours remaining, 236.164062 MB of memory in use. ENERGY: 4621200 3949.9817 20560.4780 14435.5550 251.0156 -203049.0037 2673.1523 0.0000 0.0000 52174.5585 -109004.2626 299.8479 -161178.8211 -108649.3424 299.8526 195.3834 220.0931 762057.9337 6.0916 6.0476 PRESSURE: 4621400 238.48 113.086 -42.1729 113.086 -117.293 -52.9059 -42.1728 -52.9065 127.925 GPRESSURE: 4621400 246.17 120.312 71.8544 170.101 -123.023 -20.8289 10.4166 41.0481 201.584 PRESSAVG: 4621400 15.3694 -3.47212 44.5629 -3.47217 11.0049 -13.7087 44.5629 -13.7086 14.4997 GPRESSAVG: 4621400 16.366 -5.04255 43.911 -7.73388 9.19768 -13.0551 45.2644 -14.749 14.9874 TIMING: 4621400 CPU: 14612.7, 0.00314312/step Wall: 14612.7, 0.00314312/step, 0.330552 hours remaining, 236.164062 MB of memory in use. ENERGY: 4621400 3941.2390 20607.8640 14468.1422 247.7918 -203130.2326 2552.2403 0.0000 0.0000 52169.9442 -109143.0111 299.8214 -161312.9553 -108782.8203 299.5169 83.0371 108.2436 762858.1497 13.6247 13.5170 PRESSURE: 4621600 114.767 -340.869 -67.0574 -340.87 -105.824 176.167 -67.0574 176.167 -153.878 GPRESSURE: 4621600 115.833 -244.894 -21.9897 -177.786 -56.7281 207.227 -4.66198 124.216 -107.419 PRESSAVG: 4621600 45.9544 -55.3593 57.7281 -55.3594 -15.2288 -40.6308 57.728 -40.6308 -23.1547 GPRESSAVG: 4621600 45.5804 -53.9885 58.754 -53.758 -14.6352 -41.3539 54.9172 -38.161 -23.386 TIMING: 4621600 CPU: 14613.4, 0.00316621/step Wall: 14613.4, 0.00316621/step, 0.332803 hours remaining, 236.164062 MB of memory in use. ENERGY: 4621600 3937.6144 20497.8217 14483.7232 242.6061 -202976.4461 2600.2446 0.0000 0.0000 52070.7865 -109143.6496 299.2515 -161214.4360 -108778.3151 298.9471 -48.3115 -16.1046 762704.0364 2.5236 2.5197 PRESSURE: 4621800 157.201 4.22143 -98.2606 4.22085 26.8196 -111.965 -98.261 -111.966 55.0031 GPRESSURE: 4621800 226.526 -27.0853 -59.351 116.949 100.25 -33.8404 1.71781 -98.3497 3.75119 PRESSAVG: 4621800 29.4233 -38.154 40.2589 -38.154 -14.3401 -31.1386 40.2589 -31.1385 -4.54786 GPRESSAVG: 4621800 28.9057 -38.1821 39.8647 -36.7456 -13.2826 -32.2546 39.4619 -31.4081 -5.26377 TIMING: 4621800 CPU: 14614, 0.00315303/step Wall: 14614, 0.00315303/step, 0.331243 hours remaining, 236.164062 MB of memory in use. ENERGY: 4621800 3932.5964 20612.0200 14421.6268 251.1429 -203372.4618 2819.0610 0.0000 0.0000 52218.4302 -109117.5846 300.1000 -161336.0148 -108747.0224 299.1774 79.6745 110.1758 761480.8241 3.5118 3.4531 PRESSURE: 4622000 -289.435 -132.725 13.4118 -132.725 81.7212 23.0178 13.4123 23.018 80.8471 GPRESSURE: 4622000 -298.908 -146.94 4.44204 -75.0183 122.19 34.2904 82.9845 83.9707 131.848 PRESSAVG: 4622000 25.8337 -41.4798 39.3266 -41.4798 -33.2341 -40.7694 39.3266 -40.7694 2.9276 GPRESSAVG: 4622000 26.2743 -40.9267 38.5837 -41.9767 -34.3274 -41.4093 43.3741 -40.482 3.3349 TIMING: 4622000 CPU: 14614.6, 0.00315402/step Wall: 14614.6, 0.00315402/step, 0.331172 hours remaining, 236.164062 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: 4622000 4010.6548 20473.3408 14451.8664 223.1471 -203510.3064 3001.9454 0.0000 0.0000 52231.9682 -109117.3837 300.1778 -161349.3519 -108741.7130 299.9141 -42.2889 -14.9566 763780.8601 -1.4909 -1.5727 PRESSURE: 4622200 183.496 -160.866 3.47963 -160.866 -262.136 65.5098 3.47944 65.5097 -313.106 GPRESSURE: 4622200 130.67 -219.945 -18.3759 -126.59 -213.119 41.032 -30.6147 36.152 -248.247 PRESSAVG: 4622200 -37.0981 -58.5443 10.3582 -58.5442 -29.3086 4.96787 10.3582 4.96781 -10.2323 GPRESSAVG: 4622200 -37.4349 -59.9166 11.6007 -57.8048 -29.0251 7.01765 8.56342 4.41021 -10.7373 TIMING: 4622200 CPU: 14615.2, 0.00315765/step Wall: 14615.2, 0.00315765/step, 0.331378 hours remaining, 236.164062 MB of memory in use. ENERGY: 4622200 4082.3108 20692.7666 14434.3801 251.8010 -203318.3789 2565.5737 0.0000 0.0000 51801.3087 -109490.2379 297.7028 -161291.5467 -109140.1657 299.2530 -130.5821 -110.2320 762929.3188 -25.5464 -25.7324 PRESSURE: 4622400 -71.4475 -109.483 205.831 -109.483 24.0831 -40.3868 205.831 -40.3876 -49.055 GPRESSURE: 4622400 14.266 46.8808 203.319 -114.078 37.6377 -34.5226 320.675 40.7605 -36.788 PRESSAVG: 4622400 3.62189 -30.4002 7.67242 -30.4002 24.0221 -18.3574 7.67244 -18.3574 21.7575 GPRESSAVG: 4622400 4.66512 -28.9896 7.55745 -31.8444 22.6366 -18.5464 7.97181 -19.709 22.0844 TIMING: 4622400 CPU: 14615.9, 0.00316698/step Wall: 14615.9, 0.00316698/step, 0.332181 hours remaining, 236.164062 MB of memory in use. ENERGY: 4622400 4002.0710 20304.3127 14558.4302 271.7104 -203427.2648 2601.6116 0.0000 0.0000 52161.3307 -109527.7982 299.7719 -161689.1289 -109158.6451 298.9595 -32.1398 5.0386 761665.5864 16.4672 16.4620 PRESSURE: 4622600 70.2861 65.0731 75.927 65.0731 -361.118 -43.4801 75.927 -43.481 194.882 GPRESSURE: 4622600 227.369 86.4536 36.2094 53.21 -420.542 -69.8907 86.6447 -87.914 175.216 PRESSAVG: 4622600 -0.173311 18.2101 38.0548 18.21 48.7763 -23.7044 38.0548 -23.7043 -8.28065 GPRESSAVG: 4622600 -1.39623 17.7144 37.3405 19.6702 48.367 -24.1269 37.5912 -23.0165 -6.40855 TIMING: 4622600 CPU: 14616.5, 0.00316509/step Wall: 14616.5, 0.00316509/step, 0.331807 hours remaining, 236.164062 MB of memory in use. ENERGY: 4622600 3980.9313 20441.7854 14523.8139 243.1399 -203619.2113 2705.0989 0.0000 0.0000 52176.9560 -109547.4859 299.8617 -161724.4419 -109178.7763 299.1079 -31.9831 -5.9857 762677.7064 13.4408 13.5208 PRESSURE: 4622800 216.81 -101.308 -4.18966 -101.308 207.882 -87.7401 -4.19003 -87.7396 83.0482 GPRESSURE: 4622800 288.366 18.4171 3.91391 -151.463 184.953 2.2177 44.1015 -107.329 93.8646 PRESSAVG: 4622800 -59.7334 1.30415 -44.1573 1.3042 49.2667 -32.7894 -44.1573 -32.7895 -8.41614 GPRESSAVG: 4622800 -58.601 1.56031 -44.5677 0.250828 50.5021 -34.0425 -41.6629 -33.005 -11.1259 TIMING: 4622800 CPU: 14617.1, 0.0031534/step Wall: 14617.1, 0.0031534/step, 0.330407 hours remaining, 236.164062 MB of memory in use. ENERGY: 4622800 3951.4311 20411.0053 14485.9546 263.0419 -203738.7916 2969.1466 0.0000 0.0000 52099.7869 -109558.4251 299.4182 -161658.2120 -109188.8679 298.7651 169.2469 189.0612 762618.7668 -6.2943 -6.4083 PRESSURE: 4623000 6.78067 -187.376 41.8363 -187.375 -212.301 -32.4818 41.837 -32.4817 107.527 GPRESSURE: 4623000 -19.0526 -152.033 39.4135 -87.506 -130.46 -177.818 -20.7606 93.124 118.157 PRESSAVG: 4623000 -36.8048 5.20426 -44.6648 5.20427 44.1472 -8.00387 -44.6647 -8.00384 10.0354 GPRESSAVG: 4623000 -37.7377 4.52445 -44.5754 6.11992 43.9678 -6.00621 -45.1046 -7.73702 11.1205 TIMING: 4623000 CPU: 14617.8, 0.00316982/step Wall: 14617.8, 0.00316982/step, 0.331951 hours remaining, 236.164062 MB of memory in use. ENERGY: 4623000 3944.5144 20417.5015 14504.0602 253.2496 -203313.3356 2610.0243 0.0000 0.0000 52076.1896 -109507.7958 299.2826 -161583.9855 -109147.1626 298.8971 -32.6645 -10.4519 761887.9237 5.7926 5.7835 PRESSURE: 4623200 0.310082 201.505 -282.599 201.505 -6.33489 236.637 -282.599 236.636 130.651 GPRESSURE: 4623200 -15.3271 83.6711 -296.898 237.222 72.9388 178.85 -291.049 207.773 150.491 PRESSAVG: 4623200 -30.5639 -44.6614 -9.27712 -44.6614 3.96095 -8.66294 -9.27711 -8.66294 10.3774 GPRESSAVG: 4623200 -30.0973 -46.7407 -8.80608 -44.3281 2.72944 -9.29823 -8.01633 -8.11706 10.7634 TIMING: 4623200 CPU: 14618.4, 0.00315517/step Wall: 14618.4, 0.00315517/step, 0.330241 hours remaining, 236.164062 MB of memory in use. ENERGY: 4623200 3977.9248 20479.3211 14523.8297 242.2540 -203302.2784 2616.2746 0.0000 0.0000 51870.0026 -109592.6715 298.0976 -161462.6741 -109224.3216 298.7607 41.5421 69.3674 760072.9952 -5.4085 -5.5348 PRESSURE: 4623400 189.189 13.1884 -100.612 13.1885 -56.1022 316.682 -100.612 316.681 120.056 GPRESSURE: 4623400 291.87 -97.8358 -151.4 35.5771 -51.3095 276.311 -155.206 308.111 90.9647 PRESSAVG: 4623400 -35.5156 -11.5151 -33.7894 -11.5151 54.4791 51.3773 -33.7894 51.3773 1.33156 GPRESSAVG: 4623400 -35.0874 -8.17343 -34.7258 -13.5837 54.4346 50.949 -36.9269 51.4631 1.31153 TIMING: 4623400 CPU: 14619, 0.00315283/step Wall: 14619, 0.00315283/step, 0.329821 hours remaining, 236.164062 MB of memory in use. ENERGY: 4623400 3950.2948 20386.3034 14492.9856 265.3101 -203536.8047 2689.1229 0.0000 0.0000 51905.5649 -109847.2229 298.3020 -161752.7878 -109482.0750 298.3756 84.3811 110.5085 760293.3169 6.7650 6.8862 PRESSURE: 4623600 209.156 14.1761 49.3181 14.176 -179.991 -227.937 49.3182 -227.938 10.7207 GPRESSURE: 4623600 212.966 -25.4643 72.4187 53.8972 -82.11 -225.829 -45.8695 -261.835 20.9791 PRESSAVG: 4623600 -49.3202 22.4485 -27.1021 22.4485 -6.66995 8.41891 -27.1021 8.41897 16.3038 GPRESSAVG: 4623600 -48.163 20.4229 -26.6237 25.0324 -6.53209 7.53286 -26.0792 6.48414 15.3247 TIMING: 4623600 CPU: 14619.7, 0.0031742/step Wall: 14619.7, 0.0031742/step, 0.331881 hours remaining, 236.164062 MB of memory in use. ENERGY: 4623600 3914.3785 20310.5705 14483.2846 234.3014 -203360.1207 2664.2836 0.0000 0.0000 51757.7193 -109995.5827 297.4523 -161753.3020 -109636.9907 297.6712 13.2953 50.6118 762584.7968 -13.2288 -13.1235 PRESSURE: 4623800 -7.67718 -190.578 -190.195 -190.578 174.205 88.0205 -190.195 88.0197 139.5 GPRESSURE: 4623800 22.418 -106.358 -113.8 -348.308 314.952 74.0726 -131.828 211.551 45.7754 PRESSAVG: 4623800 -41.8884 -28.7265 -37.7386 -28.7264 13.6407 -19.9473 -37.7386 -19.9473 -21.4424 GPRESSAVG: 4623800 -43.1965 -28.7359 -36.6696 -26.7665 14.32 -20.3551 -38.5019 -18.8136 -21.2702 TIMING: 4623800 CPU: 14620.3, 0.00315328/step Wall: 14620.3, 0.00315328/step, 0.329518 hours remaining, 236.164062 MB of memory in use. ENERGY: 4623800 3963.6904 20550.2345 14444.3668 248.8628 -203815.3387 2938.4369 0.0000 0.0000 51663.8653 -110005.8820 296.9129 -161669.7473 -109654.8809 297.5880 102.0092 127.7153 762297.4522 -16.5634 -16.7156 PRESSURE: 4624000 -37.9262 -23.7915 157.215 -23.7909 238.815 323.884 157.215 323.882 119.004 GPRESSURE: 4624000 31.9092 -76.7884 194.657 111.35 232.678 258.118 -46.047 246.408 146.367 PRESSAVG: 4624000 26.7444 -32.5964 -54.7165 -32.5965 -22.4792 27.2068 -54.7165 27.2068 -1.59628 GPRESSAVG: 4624000 26.3011 -30.4199 -57.9775 -37.0529 -21.3977 28.1083 -51.3485 30.3571 -1.78523 TIMING: 4624000 CPU: 14620.9, 0.0031727/step Wall: 14620.9, 0.0031727/step, 0.331371 hours remaining, 236.164062 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: 4624000 4024.2011 20502.6580 14428.5475 232.7690 -203718.5113 2799.0579 0.0000 0.0000 51974.7025 -109756.5754 298.6993 -161731.2778 -109398.8284 297.8996 106.6309 136.9848 762222.3808 0.8896 1.0394 PRESSURE: 4624200 -170.334 -20.8147 -283.517 -20.8147 -312.129 106.033 -283.517 106.034 -339.053 GPRESSURE: 4624200 -152.272 -51.1796 -224.752 30.5249 -208.621 58.82 -147.293 137.036 -376.204 PRESSAVG: 4624200 -15.1632 9.33493 -8.55803 9.33497 -30.7018 23.9915 -8.55809 23.9915 2.64043 GPRESSAVG: 4624200 -15.2687 8.96815 -5.59921 11.1537 -31.9787 24.3081 -11.185 21.6144 3.29159 TIMING: 4624200 CPU: 14621.6, 0.00316887/step Wall: 14621.6, 0.00316887/step, 0.330795 hours remaining, 236.164062 MB of memory in use. ENERGY: 4624200 4041.0298 20347.3092 14399.6521 242.9379 -203088.2099 2440.8337 0.0000 0.0000 51990.7865 -109625.6607 298.7918 -161616.4472 -109267.9656 298.2797 -273.8388 -245.6988 763245.8938 -14.4082 -14.6519 LDB: ============= START OF LOAD BALANCING ============== 14634.1 LDB: ============== END OF LOAD BALANCING =============== 14634.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14634.1 LDB: ============= START OF LOAD BALANCING ============== 14634.4 LDB: Largest compute 7057 load 0.035317 is 18.1% of average load 0.195538 LDB: Average compute 0.004391 is 2.2% of average load 0.195538 LDB: TIME 14634.4 LOAD: AVG 0.195538 MAX 0.216343 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.254 MB LDB: TIME 14634.4 LOAD: AVG 0.195538 MAX 0.216343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.254 MB LDB: TIME 14634.4 LOAD: AVG 0.195538 MAX 0.216343 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.254 MB LDB: ============== END OF LOAD BALANCING =============== 14634.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14634.4 PRESSURE: 4624400 75.4244 183.107 -228.162 183.107 -74.1774 65.3066 -228.162 65.3057 399.628 GPRESSURE: 4624400 167.879 109.478 -107.41 200.608 -57.5249 18.5942 -111.8 -91.4439 382.662 PRESSAVG: 4624400 58.8569 29.7344 -50.8628 29.7344 -37.9865 47.8605 -50.8628 47.8605 -1.93663 GPRESSAVG: 4624400 59.0384 27.3792 -49.8615 28.978 -37.8535 46.375 -50.9741 49.0177 -1.51022 TIMING: 4624400 CPU: 14622.2, 0.00322736/step Wall: 14622.2, 0.00322736/step, 0.336722 hours remaining, 238.535156 MB of memory in use. ENERGY: 4624400 4053.9491 20486.0205 14448.0254 240.0246 -203365.5533 2715.3455 0.0000 0.0000 51767.4284 -109654.7599 297.5081 -161422.1883 -109295.2457 298.6040 133.6250 164.3388 763797.8855 6.3112 6.5582 PRESSURE: 4624600 141.422 2.2779 61.57 2.27852 231.276 155.162 61.5694 155.162 -222.482 GPRESSURE: 4624600 51.415 19.0221 14.5879 7.27765 333.615 181.307 71.1119 215.73 -167.106 PRESSAVG: 4624600 -10.289 41.8722 -17.8449 41.8722 10.0597 6.63485 -17.8449 6.63473 -3.37241 GPRESSAVG: 4624600 -10.9019 43.88 -19.993 41.3028 10.7054 8.27672 -18.137 5.06855 -3.61009 TIMING: 4624600 CPU: 14622.9, 0.00317582/step Wall: 14622.9, 0.00317582/step, 0.331168 hours remaining, 238.601562 MB of memory in use. ENERGY: 4624600 4077.2468 20459.8190 14468.6196 256.7300 -202862.8465 2297.9481 0.0000 0.0000 51858.2432 -109444.2399 298.0300 -161302.4831 -109081.2598 298.4690 50.0722 72.6412 762895.6817 -1.2006 -1.2688 PRESSURE: 4624800 -265.241 30.02 131.713 30.0202 -234.268 -159.017 131.713 -159.017 -352.811 GPRESSURE: 4624800 -219.772 44.3735 112.326 -17.5126 -228.278 -170.664 35.3401 90.6508 -333.461 PRESSAVG: 4624800 -67.9342 53.6412 31.8341 53.6412 17.0308 -10.4288 31.8341 -10.4287 -0.456178 GPRESSAVG: 4624800 -67.1723 53.0408 33.1842 56.9501 16.0248 -10.2382 32.6943 -10.8627 -0.448829 TIMING: 4624800 CPU: 14623.5, 0.0031811/step Wall: 14623.5, 0.0031811/step, 0.331541 hours remaining, 238.843750 MB of memory in use. ENERGY: 4624800 3984.1829 20499.4745 14495.0857 253.4144 -202995.5877 2150.8349 0.0000 0.0000 52082.0969 -109530.4984 299.3165 -161612.5953 -109176.9341 299.4112 -284.1068 -260.5036 762376.2641 -17.1199 -17.1988 PRESSURE: 4625000 291.999 -11.2243 102.363 -11.2246 -253.035 46.9429 102.363 46.9433 -149.598 GPRESSURE: 4625000 317.306 141.71 3.20784 20.0998 -181.827 93.3074 233.079 22.6943 -152.609 PRESSAVG: 4625000 36.8753 -46.8289 18.2968 -46.8289 -22.1989 -19.5083 18.2969 -19.5083 -0.00750461 GPRESSAVG: 4625000 37.3079 -45.5538 16.6426 -47.3381 -22.0122 -18.9471 16.9407 -18.7926 -0.611627 TIMING: 4625000 CPU: 14624.1, 0.00317992/step Wall: 14624.1, 0.00317992/step, 0.331242 hours remaining, 238.843750 MB of memory in use. ENERGY: 4625000 4041.6407 20568.3160 14521.2489 253.6785 -203259.0774 2493.7309 0.0000 0.0000 51899.9011 -109480.5613 298.2694 -161380.4624 -109124.3630 299.2982 -36.8780 -5.7101 760736.8634 4.8896 4.8947 PRESSURE: 4625200 246.432 109.133 -32.4746 109.132 72.5554 -20.4888 -32.4749 -20.4881 -86.74 GPRESSURE: 4625200 299.714 158.897 -112.98 94.1676 110.018 45.4539 70.7299 -21.7944 -88.7007 PRESSAVG: 4625200 41.2568 -10.3328 -30.1315 -10.3329 -57.3187 -9.21445 -30.1315 -9.21443 -11.9452 GPRESSAVG: 4625200 40.2578 -10.6902 -29.5505 -12.7278 -57.0922 -10.6598 -28.3258 -8.61578 -11.0821 TIMING: 4625200 CPU: 14624.8, 0.00316502/step Wall: 14624.8, 0.00316502/step, 0.329514 hours remaining, 238.843750 MB of memory in use. ENERGY: 4625200 4045.2636 20519.2974 14438.7076 239.0986 -203587.4580 2765.7610 0.0000 0.0000 51989.0489 -109590.2809 298.7818 -161579.3298 -109236.0405 299.2788 77.4158 107.0101 759724.7203 -9.3357 -9.3055 PRESSURE: 4625400 -265.131 88.0685 41.5538 88.069 -211.82 145.133 41.5544 145.133 81.6362 GPRESSURE: 4625400 -229.228 34.1699 112.359 73.5828 -96.0852 149.125 51.2017 40.0026 18.4799 PRESSAVG: 4625400 -3.98962 -91.7505 13.9919 -91.7505 -8.88925 54.8469 13.9919 54.8469 1.1271 GPRESSAVG: 4625400 -3.59638 -93.3536 14.4903 -90.1863 -8.14085 53.512 14.4392 53.898 0.492207 TIMING: 4625400 CPU: 14625.4, 0.00318471/step Wall: 14625.4, 0.00318471/step, 0.331387 hours remaining, 238.984375 MB of memory in use. ENERGY: 4625400 4001.6076 20494.8230 14483.9655 248.9369 -203493.6080 2643.4437 0.0000 0.0000 52181.4250 -109439.4064 299.8874 -161620.8314 -109079.7581 298.5241 -131.7715 -102.2777 760438.7686 -3.9173 -3.7483 PRESSURE: 4625600 39.4753 67.7429 -8.26938 67.742 -343.14 235.909 -8.2697 235.909 -206.038 GPRESSURE: 4625600 10.3363 67.8863 24.282 -60.8811 -325.68 218.793 -46.8463 153.042 -137.432 PRESSAVG: 4625600 -13.4541 -52.6605 9.35954 -52.6605 -5.73812 44.5264 9.35958 44.5263 -26.6024 GPRESSAVG: 4625600 -12.29 -52.7689 9.73645 -54.1485 -6.20744 45.5998 8.38344 46.7425 -27.8799 TIMING: 4625600 CPU: 14626, 0.00319114/step Wall: 14626, 0.00319114/step, 0.331878 hours remaining, 238.984375 MB of memory in use. ENERGY: 4625600 3965.2189 20618.7321 14452.3457 246.5416 -203439.3344 2643.0906 0.0000 0.0000 51793.1163 -109720.2891 297.6558 -161513.4054 -109371.8156 298.7609 -169.9009 -150.9252 760849.7407 -15.2649 -15.4591 PRESSURE: 4625800 13.2225 -179.938 36.0409 -179.937 -18.9888 -245.625 36.041 -245.624 98.4527 GPRESSURE: 4625800 70.127 -203.215 18.5808 -150.182 115.312 -258.107 -13.5084 -289.526 2.95351 PRESSAVG: 4625800 4.54352 -47.3352 10.3963 -47.3352 -18.281 26.8117 10.3963 26.8118 -4.65171 GPRESSAVG: 4625800 3.8642 -46.3672 10.134 -47.7269 -18.2846 26.0007 10.2546 26.0032 -3.68346 TIMING: 4625800 CPU: 14626.7, 0.00313526/step Wall: 14626.7, 0.00313526/step, 0.325893 hours remaining, 238.984375 MB of memory in use. ENERGY: 4625800 3913.2692 20294.8421 14460.8337 226.4152 -203701.9729 2933.9461 0.0000 0.0000 52113.8948 -109758.7718 299.4993 -161872.6665 -109388.4736 298.8033 30.8955 62.7974 760259.2244 -6.1297 -6.0346 PRESSURE: 4626000 93.294 -248.144 -163.03 -248.143 -150.278 -105.432 -163.029 -105.432 268.004 GPRESSURE: 4626000 182.701 -280.019 -115.387 -252.096 -50.1231 -80.5268 -66.9213 -114.253 173.337 PRESSAVG: 4626000 9.79243 -51.9072 6.88532 -51.9073 -8.54132 -43.4709 6.88535 -43.4709 -9.21185 GPRESSAVG: 4626000 8.73344 -52.5322 8.23625 -51.8491 -6.88221 -43.4948 7.43054 -45.5744 -9.46169 TIMING: 4626000 CPU: 14627.3, 0.00316396/step Wall: 14627.3, 0.00316396/step, 0.328701 hours remaining, 238.984375 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: 4626000 3969.5953 20422.8186 14501.5465 244.8525 -203533.7965 2703.9578 0.0000 0.0000 52003.7527 -109687.2730 298.8663 -161691.0257 -109329.4791 298.3486 70.3400 101.9715 760367.2957 -2.6536 -2.5368 PRESSURE: 4626200 -132.4 -179.456 5.47832 -179.456 37.2495 -129.63 5.47816 -129.629 432.635 GPRESSURE: 4626200 -186.912 -236.102 -73.237 -116.486 151.651 -117.637 -19.8318 -120.201 469.128 PRESSAVG: 4626200 -23.5141 -23.0039 -13.1777 -23.0039 5.01651 -11.3219 -13.1778 -11.3219 37.8119 GPRESSAVG: 4626200 -22.6239 -23.483 -13.9811 -25.0854 3.44663 -10.5173 -12.8087 -10.0068 38.1344 TIMING: 4626200 CPU: 14627.9, 0.00316175/step Wall: 14627.9, 0.00316175/step, 0.328295 hours remaining, 239.187500 MB of memory in use. ENERGY: 4626200 3904.8368 20383.4849 14463.9381 232.4477 -203276.8434 2483.7551 0.0000 0.0000 52125.8010 -109682.5798 299.5677 -161808.3808 -109320.7034 298.2567 112.4949 144.6222 761756.2684 6.4381 6.3191 PRESSURE: 4626400 283.533 9.6145 181.955 9.61565 -130.779 -228.895 181.955 -228.895 -0.92293 GPRESSURE: 4626400 300.565 82.6854 128.415 -34.3 -17.8676 -232.032 200.787 -155.772 -31.3897 PRESSAVG: 4626400 -37.0797 -78.1755 13.0263 -78.1756 67.7627 5.28792 13.0263 5.28784 -17.0946 GPRESSAVG: 4626400 -36.4698 -78.4876 12.9095 -73.5374 67.189 4.91755 12.402 5.2391 -17.0594 TIMING: 4626400 CPU: 14628.6, 0.00316988/step Wall: 14628.6, 0.00316988/step, 0.328963 hours remaining, 239.187500 MB of memory in use. ENERGY: 4626400 3925.6106 20502.2989 14467.7913 251.5141 -203143.9673 2558.8716 0.0000 0.0000 51742.1713 -109695.7095 297.3630 -161437.8807 -109332.5077 298.2799 50.6101 83.7693 762103.0897 4.5295 4.5532 PRESSURE: 4626600 -69.9867 76.1493 -76.5567 76.1495 -33.2788 50.7027 -76.5568 50.7026 -59.605 GPRESSURE: 4626600 -67.7013 -16.6207 -177.841 22.901 -0.826594 43.1104 18.831 73.9816 -13.2291 PRESSAVG: 4626600 21.3209 -68.0443 23.8498 -68.0443 -3.00192 -31.3664 23.8498 -31.3662 2.93103 GPRESSAVG: 4626600 19.6456 -68.4673 21.5972 -71.6612 -2.7191 -31.7163 26.1391 -31.3478 4.13412 TIMING: 4626600 CPU: 14629.2, 0.00316808/step Wall: 14629.2, 0.00316808/step, 0.3286 hours remaining, 239.187500 MB of memory in use. ENERGY: 4626600 3878.1288 20664.5232 14522.3810 247.7110 -203590.4619 2722.7131 0.0000 0.0000 51957.4079 -109597.5969 298.5999 -161555.0049 -109242.2118 298.5427 -54.2902 -27.2523 762740.2619 7.0833 7.0202 PRESSURE: 4626800 273.58 -64.3117 152.557 -64.3115 300.782 74.6583 152.556 74.657 55.242 GPRESSURE: 4626800 372.232 -13.5281 202.111 -120.785 323.816 101.447 -15.3407 52.5313 0.469831 PRESSAVG: 4626800 35.7747 -29.5068 15.6722 -29.5068 23.5342 40.1137 15.6722 40.1138 -6.74747 GPRESSAVG: 4626800 36.0629 -28.2287 18.4325 -29.622 23.8817 42.3013 12.1422 38.0904 -7.12247 TIMING: 4626800 CPU: 14629.8, 0.00314604/step Wall: 14629.8, 0.00314604/step, 0.326139 hours remaining, 239.187500 MB of memory in use. ENERGY: 4626800 3966.3892 20457.9121 14515.3916 251.1976 -203469.2993 2601.6840 0.0000 0.0000 52019.2694 -109657.4555 298.9555 -161676.7248 -109293.8629 298.9427 209.8680 232.1725 760429.2074 17.5205 17.6074 PRESSURE: 4627000 48.1924 3.25744 143.216 3.25777 96.8517 40.8097 143.216 40.8086 -335.637 GPRESSURE: 4627000 86.7291 78.1365 112.469 72.3675 115.508 -55.131 148.327 16.6785 -292.527 PRESSAVG: 4627000 15.4563 -41.5735 3.86493 -41.5735 3.16696 12.6212 3.86493 12.6212 -4.69691 GPRESSAVG: 4627000 16.6157 -42.3635 3.39744 -40.1836 3.61671 11.6463 4.27858 14.788 -5.85778 TIMING: 4627000 CPU: 14630.5, 0.00316417/step Wall: 14630.5, 0.00316417/step, 0.327843 hours remaining, 239.187500 MB of memory in use. ENERGY: 4627000 3950.6003 20501.8922 14407.5331 261.2122 -202948.3746 2225.5662 0.0000 0.0000 52017.2115 -109584.3592 298.9436 -161601.5707 -109223.7945 298.3942 -63.5309 -30.0968 761357.7562 4.6421 4.7915 PRESSURE: 4627200 -37.6649 112.737 -76.6878 112.737 196.302 108.278 -76.688 108.278 -4.31525 GPRESSURE: 4627200 -11.9378 101.027 -101.007 31.797 284.034 122.764 -58.6433 96.7591 -40.7754 PRESSAVG: 4627200 -6.8692 -28.3272 2.47018 -28.3272 14.9268 25.104 2.47013 25.1041 2.83187 GPRESSAVG: 4627200 -5.78482 -27.8479 2.33811 -27.7527 13.3438 25.056 3.62079 24.5275 3.2759 TIMING: 4627200 CPU: 14631.1, 0.00313211/step Wall: 14631.1, 0.00313211/step, 0.324347 hours remaining, 239.187500 MB of memory in use. ENERGY: 4627200 4043.4116 20486.9870 14439.4994 252.8988 -203567.2400 2819.4225 0.0000 0.0000 51899.9078 -109625.1129 298.2695 -161525.0207 -109259.8797 298.2147 51.4405 77.1069 762297.6902 3.6298 3.6116 PRESSURE: 4627400 502.538 -242.879 -271.504 -242.88 -132.76 -121.784 -271.504 -121.782 303.588 GPRESSURE: 4627400 357.918 -303.503 -221.225 -109.741 11.7787 -34.1941 -327.697 -16.7903 379.578 PRESSAVG: 4627400 22.4788 -25.735 12.2118 -25.735 -7.58508 36.275 12.2119 36.275 -3.00588 GPRESSAVG: 4627400 19.8388 -25.9348 12.1412 -25.3961 -5.63668 36.2521 13.8881 36.9249 -2.73221 TIMING: 4627400 CPU: 14631.7, 0.00315107/step Wall: 14631.7, 0.00315107/step, 0.326136 hours remaining, 239.187500 MB of memory in use. ENERGY: 4627400 3953.9076 20458.6716 14401.3331 246.3562 -203565.1858 2871.6776 0.0000 0.0000 52021.9705 -109611.2692 298.9710 -161633.2396 -109246.8792 298.9844 224.4553 249.7583 761165.1617 3.9626 3.8233 PRESSURE: 4627600 -65.1891 101.09 86.3964 101.09 69.4453 12.6085 86.3954 12.6081 149.805 GPRESSURE: 4627600 -4.94604 -19.4211 75.6405 45.2841 57.9618 -14.6855 61.3129 90.865 185.452 PRESSAVG: 4627600 13.1669 18.2458 -9.91687 18.2458 -79.1 2.68137 -9.91692 2.68128 -0.269622 GPRESSAVG: 4627600 14.7645 19.0692 -9.52282 17.3542 -79.7474 0.095129 -11.1032 2.43912 -1.49755 TIMING: 4627600 CPU: 14632.3, 0.00314922/step Wall: 14632.3, 0.00314922/step, 0.325769 hours remaining, 239.187500 MB of memory in use. ENERGY: 4627600 3942.1973 20390.9793 14463.8607 238.3174 -203437.2885 2754.6810 0.0000 0.0000 52096.5179 -109550.7350 299.3994 -161647.2529 -109184.6014 298.7676 51.3538 79.4894 763918.2044 -22.0676 -22.1602 PRESSURE: 4627800 390.484 -2.41127 -343.643 -2.41206 -48.2832 243.341 -343.643 243.341 -257.11 GPRESSURE: 4627800 386.443 -53.2847 -439.504 -15.446 -46.29 279.807 -260.147 243.43 -172.708 PRESSAVG: 4627800 60.7841 39.2419 53.3071 39.2419 -68.7409 21.9407 53.307 21.9407 9.03665 GPRESSAVG: 4627800 60.9364 39.5877 51.4495 36.6968 -69.602 24.7733 55.0655 20.7051 9.60223 TIMING: 4627800 CPU: 14633, 0.00317894/step Wall: 14633, 0.00317894/step, 0.328667 hours remaining, 239.187500 MB of memory in use. ENERGY: 4627800 3971.5489 20416.1610 14473.1380 258.5688 -203765.5755 2937.4244 0.0000 0.0000 51889.8473 -109818.8871 298.2117 -161708.7344 -109462.5477 298.4287 28.3635 55.8148 762047.3418 0.3599 0.3122 PRESSURE: 4628000 -539.224 148.99 194.273 148.99 -305.789 171.98 194.272 171.98 -95.8355 GPRESSURE: 4628000 -402.18 231.467 185.614 21.8766 -335.744 180.359 95.7951 60.6673 -139.295 PRESSAVG: 4628000 77.5113 -6.67634 28.9388 -6.67632 -54.5663 53.5904 28.9388 53.5905 5.44158 GPRESSAVG: 4628000 77.0937 -7.37544 31.3164 -3.12851 -52.9528 54.3183 26.3697 53.5975 3.76453 TIMING: 4628000 CPU: 14633.6, 0.00316247/step Wall: 14633.6, 0.00316247/step, 0.326789 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: 4628000 3955.2841 20550.2219 14472.6888 245.7938 -203262.1818 2403.7741 0.0000 0.0000 51969.6346 -109664.7844 298.6702 -161634.4190 -109299.7372 298.7670 -313.6161 -292.4064 762255.4485 9.4622 9.3018 PRESSURE: 4628200 -6.33946 -61.1894 -62.9243 -61.1897 8.07273 54.6581 -62.9239 54.6577 83.5041 GPRESSURE: 4628200 -21.7153 -121.629 -50.3456 -87.1032 135.805 93.6553 -41.8404 -27.0208 49.0979 PRESSAVG: 4628200 6.26228 34.4036 75.8106 34.4035 -33.7098 -31.6848 75.8107 -31.6848 -6.37159 GPRESSAVG: 4628200 5.47679 30.2383 76.2636 34.4284 -34.1972 -33.1353 75.7847 -29.4925 -5.23578 TIMING: 4628200 CPU: 14634.2, 0.00315114/step Wall: 14634.2, 0.00315114/step, 0.325443 hours remaining, 239.187500 MB of memory in use. ENERGY: 4628200 3964.0801 20711.4482 14432.3795 229.3850 -203596.3320 2861.5619 0.0000 0.0000 51890.4850 -109506.9923 298.2153 -161397.4773 -109145.3240 298.8405 28.4125 54.3957 763312.0835 -11.2730 -11.3187 LDB: ============= START OF LOAD BALANCING ============== 14646.8 LDB: ============== END OF LOAD BALANCING =============== 14646.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14646.8 LDB: ============= START OF LOAD BALANCING ============== 14647.1 LDB: Largest compute 7029 load 0.032988 is 16.9% of average load 0.195608 LDB: Average compute 0.004370 is 2.2% of average load 0.195608 LDB: TIME 14647.1 LOAD: AVG 0.195608 MAX 0.214813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.805 MB LDB: TIME 14647.1 LOAD: AVG 0.195608 MAX 0.214813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.871 MB LDB: TIME 14647.1 LOAD: AVG 0.195608 MAX 0.214813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.871 MB LDB: ============== END OF LOAD BALANCING =============== 14647.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14647.1 PRESSURE: 4628400 -116.631 26.9734 -155.018 26.9749 -92.2243 -76.799 -155.018 -76.798 83.6778 GPRESSURE: 4628400 -165.476 -22.335 -165.99 105.229 -43.0106 -84.1947 -177.568 -50.6534 183.776 PRESSAVG: 4628400 2.88329 15.1907 -9.86173 15.1908 7.52937 3.0024 -9.86167 3.00248 10.9315 GPRESSAVG: 4628400 2.30504 18.8508 -9.64301 15.1565 6.98015 3.71791 -9.39385 0.834511 11.8014 TIMING: 4628400 CPU: 14634.9, 0.00323145/step Wall: 14634.9, 0.00323144/step, 0.333557 hours remaining, 235.257812 MB of memory in use. ENERGY: 4628400 3823.5574 20537.9048 14470.2239 250.6870 -203373.8355 2577.1517 0.0000 0.0000 52168.1759 -109546.1349 299.8112 -161714.3108 -109166.9647 298.9684 -41.7257 -8.2367 762126.3605 7.1147 7.0289 PRESSURE: 4628600 68.2028 -64.4994 172.503 -64.4988 -61.0309 -40.9708 172.503 -40.97 -107.107 GPRESSURE: 4628600 77.0916 -142.044 177.807 -84.5628 -10.9664 -54.1492 166.356 -35.4869 -74.6807 PRESSAVG: 4628600 -3.19712 -31.1312 28.2528 -31.1311 -11.6398 -58.5688 28.2528 -58.5689 -2.78119 GPRESSAVG: 4628600 -1.33053 -29.9051 25.5754 -32.9309 -11.1889 -58.901 28.9899 -57.0912 -4.83862 TIMING: 4628600 CPU: 14635.5, 0.00314699/step Wall: 14635.5, 0.00314699/step, 0.324665 hours remaining, 235.515625 MB of memory in use. ENERGY: 4628600 4042.8014 20570.7889 14460.4040 230.4649 -203464.1366 2684.2809 0.0000 0.0000 51962.5843 -109512.8122 298.6297 -161475.3964 -109141.7596 299.3933 -33.3116 -2.8519 760436.7818 -5.8727 -5.7860 PRESSURE: 4628800 45.3554 -107.004 -66.0907 -107.004 -88.63 73.7551 -66.0913 73.7545 -139.184 GPRESSURE: 4628800 91.4161 -69.2424 -53.4901 -88.3063 -138.548 5.47713 -92.1082 64.0933 -55.3944 PRESSAVG: 4628800 41.5558 11.9812 25.9998 11.9812 -8.94429 -32.7457 25.9998 -32.7456 -9.6394 GPRESSAVG: 4628800 40.1324 11.2086 27.5234 9.40995 -8.91828 -34.2273 25.8099 -31.148 -8.23568 TIMING: 4628800 CPU: 14636.1, 0.00315926/step Wall: 14636.1, 0.00315926/step, 0.325755 hours remaining, 235.773438 MB of memory in use. ENERGY: 4628800 3973.4774 20486.5419 14432.6075 243.8956 -203520.8385 2691.7470 0.0000 0.0000 52072.9283 -109619.6409 299.2638 -161692.5692 -109263.8793 298.9161 -60.8195 -34.1755 761255.9789 7.6574 7.6595 PRESSURE: 4629000 -209.391 -108.633 -164.672 -108.632 -640.613 220.445 -164.671 220.444 51.7521 GPRESSURE: 4629000 -228.114 -41.8408 -98.4042 -176.509 -561.239 252.979 -56.4194 231.709 63.42 PRESSAVG: 4629000 -9.45288 -33.773 21.2522 -33.773 -7.69857 30.9291 21.2523 30.9291 8.57655 GPRESSAVG: 4629000 -9.71762 -32.2512 21.3928 -31.0861 -6.62217 32.2072 22.2647 29.1183 8.2292 TIMING: 4629000 CPU: 14636.8, 0.00318368/step Wall: 14636.8, 0.00318368/step, 0.328096 hours remaining, 235.773438 MB of memory in use. ENERGY: 4629000 3986.3771 20504.8368 14478.2155 238.2263 -203372.7085 2533.6158 0.0000 0.0000 51972.4172 -109659.0199 298.6862 -161631.4371 -109297.8625 298.9752 -266.0839 -241.9777 759539.3689 -2.8583 -2.7035 PRESSURE: 4629200 -11.134 77.8098 136.547 77.8101 -103.151 221.297 136.548 221.298 -17.3889 GPRESSURE: 4629200 117.714 165.997 133.928 84.3865 -64.1557 192.384 118.222 192.989 -108.933 PRESSAVG: 4629200 9.71253 -14.8688 -8.03917 -14.8689 -18.5744 13.2669 -8.03916 13.267 -26.8455 GPRESSAVG: 4629200 9.74781 -15.4855 -7.62197 -13.0044 -19.8045 13.3235 -8.98447 12.5804 -25.9926 TIMING: 4629200 CPU: 14637.4, 0.00315775/step Wall: 14637.4, 0.00315775/step, 0.325248 hours remaining, 235.980469 MB of memory in use. ENERGY: 4629200 3955.1319 20461.2642 14445.4107 249.4810 -203362.7684 2491.3428 0.0000 0.0000 52088.8618 -109671.2762 299.3554 -161760.1379 -109311.3424 297.8997 -43.8914 -18.4581 760301.1468 -11.9025 -12.0164 PRESSURE: 4629400 -759.625 -118.285 -64.913 -118.285 -28.5871 -34.9584 -64.9123 -34.9581 -358.565 GPRESSURE: 4629400 -631.943 -96.1567 -50.6514 -148.281 -38.1329 11.9659 -44.1444 2.16402 -404.875 PRESSAVG: 4629400 -36.9224 -34.5395 36.897 -34.5395 39.2343 -16.144 36.897 -16.144 -1.25035 GPRESSAVG: 4629400 -36.4694 -37.9539 37.2062 -34.331 39.9949 -14.1649 37.18 -18.0909 -2.20128 TIMING: 4629400 CPU: 14638, 0.00314801/step Wall: 14638, 0.00314801/step, 0.324071 hours remaining, 235.980469 MB of memory in use. ENERGY: 4629400 4017.6019 20591.7234 14424.0133 241.7136 -203305.1257 2392.5966 0.0000 0.0000 52013.6713 -109623.8056 298.9233 -161637.4769 -109256.5715 299.2532 -382.2591 -358.3167 762024.8780 0.3539 0.4414 PRESSURE: 4629600 310.291 85.9579 -3.46057 85.9588 165.257 -84.7795 -3.4603 -84.7798 340.141 GPRESSURE: 4629600 331.621 -72.8422 22.9906 146.533 204.597 -65.2854 53.6732 -128.518 360.845 PRESSAVG: 4629600 -32.5422 -36.0579 -9.98105 -36.0578 29.2639 -22.7837 -9.98105 -22.7837 10.8347 GPRESSAVG: 4629600 -31.2577 -34.3724 -11.1949 -37.9228 29.9041 -25.6176 -10.9815 -19.0755 9.37257 TIMING: 4629600 CPU: 14638.7, 0.00316746/step Wall: 14638.7, 0.00316746/step, 0.325896 hours remaining, 235.980469 MB of memory in use. ENERGY: 4629600 3976.1711 20661.6542 14449.6105 244.9320 -203566.5210 3050.8451 0.0000 0.0000 51736.0926 -109447.2154 297.3280 -161183.3080 -109082.5726 298.7985 271.8962 299.0212 762379.7511 2.5188 2.6730 PRESSURE: 4629800 72.3014 -25.813 -5.81758 -25.8128 425.574 -181.048 -5.81714 -181.049 313.015 GPRESSURE: 4629800 78.0081 25.121 -41.8373 -3.5174 544.833 -134.834 71.233 -284.473 273.667 PRESSAVG: 4629800 -7.85588 -55.1719 1.78465 -55.1719 -21.0734 -47.6574 1.7847 -47.6575 -10.4251 GPRESSAVG: 4629800 -8.639 -55.0538 2.47586 -52.3852 -21.5912 -46.1455 2.0496 -48.7956 -8.98679 TIMING: 4629800 CPU: 14639.3, 0.00317919/step Wall: 14639.3, 0.00317919/step, 0.326926 hours remaining, 235.980469 MB of memory in use. ENERGY: 4629800 3897.7141 20715.4463 14500.5649 270.2699 -204086.9641 3140.4996 0.0000 0.0000 52187.7832 -109374.6861 299.9239 -161562.4694 -109014.0345 299.3909 270.2968 298.8361 760243.1064 -13.1181 -13.0723 PRESSURE: 4630000 73.3823 2.16993 -125.516 2.16931 111.741 93.8212 -125.515 93.8216 176.598 GPRESSURE: 4630000 57.6986 47.2592 -93.3671 -29.1376 136.495 23.5155 -116.353 92.5301 247.739 PRESSAVG: 4630000 4.15804 -61.9741 -67.8937 -61.974 39.2444 -18.7979 -67.8937 -18.798 -17.0065 GPRESSAVG: 4630000 3.59667 -60.5767 -68.567 -65.082 38.0659 -20.4122 -66.7134 -16.7184 -15.5801 TIMING: 4630000 CPU: 14640, 0.00318138/step Wall: 14640, 0.00318138/step, 0.326975 hours remaining, 235.992188 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: 4630000 3960.0537 20689.7359 14528.9998 262.4234 -203377.3400 2677.8370 0.0000 0.0000 52018.6074 -109239.6829 298.9517 -161258.2902 -108868.8582 299.7967 120.5737 147.3109 760204.9954 8.7986 8.6942 PRESSURE: 4630200 -166.033 -108.871 78.9392 -108.871 -87.4458 -88.9936 78.9387 -88.993 -338.973 GPRESSURE: 4630200 -163.815 -165.187 47.9399 6.96767 -14.9447 -81.8901 56.3005 -68.0038 -341.305 PRESSAVG: 4630200 -26.2371 -6.83847 -5.32308 -6.83842 24.9073 -21.1122 -5.32309 -21.1123 20.3596 GPRESSAVG: 4630200 -25.9211 -7.82988 -7.45092 -5.93343 24.6909 -19.2407 -5.81745 -23.4859 20.3763 TIMING: 4630200 CPU: 14640.6, 0.0031493/step Wall: 14640.6, 0.0031493/step, 0.323503 hours remaining, 235.992188 MB of memory in use. ENERGY: 4630200 4042.3146 20554.9935 14432.3501 265.9125 -202825.5552 2331.9951 0.0000 0.0000 52138.0408 -109059.9486 299.6380 -161197.9894 -108697.6709 299.6561 -197.4840 -173.3549 760961.0045 6.3433 6.3820 PRESSURE: 4630400 15.2695 38.4157 111.467 38.4153 -283.241 -81.1401 111.467 -81.1389 -88.6977 GPRESSURE: 4630400 -54.5525 -93.0687 70.138 -15.6091 -149.022 0.201007 219.556 -204.533 -54.9054 PRESSAVG: 4630400 11.8109 -63.4074 -11.0867 -63.4074 37.7037 30.9111 -11.0866 30.9112 8.70034 GPRESSAVG: 4630400 10.4607 -62.5831 -6.93997 -65.2624 39.6046 30.2977 -13.8562 32.7123 8.16079 TIMING: 4630400 CPU: 14641.2, 0.00315768/step Wall: 14641.2, 0.00315768/step, 0.324189 hours remaining, 235.992188 MB of memory in use. ENERGY: 4630400 4037.6376 20564.0642 14520.9572 228.5138 -203296.3137 2839.5423 0.0000 0.0000 51993.6612 -109111.9374 298.8083 -161105.5986 -108747.2655 299.8658 -118.8899 -86.1598 759924.8851 19.4050 19.4087 PRESSURE: 4630600 -70.3986 6.0859 -6.35073 6.08581 -26.4642 -39.1197 -6.35211 -39.12 218.617 GPRESSURE: 4630600 6.75991 -146.462 74.1056 11.4969 3.32694 10.4719 -113.459 65.078 202.143 PRESSAVG: 4630600 0.465988 -1.55948 48.1716 -1.55946 15.0364 64.5349 48.1716 64.5349 4.19138 GPRESSAVG: 4630600 0.880678 -3.91657 47.3006 -0.828715 14.1213 66.5285 50.0853 63.0765 5.48074 TIMING: 4630600 CPU: 14641.8, 0.00316793/step Wall: 14641.8, 0.00316793/step, 0.325064 hours remaining, 235.992188 MB of memory in use. ENERGY: 4630600 4050.9985 20579.1691 14429.0706 239.1761 -203185.7327 2656.8674 0.0000 0.0000 52053.5967 -109176.8544 299.1527 -161230.4510 -108819.7396 299.5495 40.5849 70.7433 761657.4096 6.5646 6.8276 PRESSURE: 4630800 -30.848 -92.7089 128.391 -92.7092 61.8504 172.437 128.392 172.437 248.837 GPRESSURE: 4630800 12.8005 71.7608 109.559 -59.7625 63.0041 176.609 251.592 150.987 271.098 PRESSAVG: 4630800 -54.2152 6.32031 32.2783 6.32027 47.9851 0.461681 32.2783 0.461725 -5.37137 GPRESSAVG: 4630800 -54.6121 9.50898 31.8795 5.97017 49.0216 -1.64691 33.0198 2.29261 -5.4459 TIMING: 4630800 CPU: 14642.5, 0.00318714/step Wall: 14642.5, 0.00318714/step, 0.326859 hours remaining, 235.992188 MB of memory in use. ENERGY: 4630800 3987.0723 20493.8432 14434.2166 240.3181 -203495.3492 3140.5242 0.0000 0.0000 52087.8788 -109111.4961 299.3498 -161199.3748 -108748.0059 299.5155 93.2799 115.6343 760974.0091 -3.8672 -3.6788 PRESSURE: 4631000 -175.044 -234.565 -27.549 -234.565 -396.03 22.6215 -27.5489 22.6226 -138.797 GPRESSURE: 4631000 -78.5494 -223.684 -102.686 -79.1632 -442.022 115.062 -24.6842 39.2853 -84.4108 PRESSAVG: 4631000 -1.13393 -21.8995 46.1978 -21.8995 3.42029 7.10839 46.1977 7.10837 0.688623 GPRESSAVG: 4631000 -0.0217015 -23.0607 45.2624 -21.4064 2.59866 6.71498 45.8181 5.20188 0.43196 TIMING: 4631000 CPU: 14643.1, 0.00315932/step Wall: 14643.1, 0.00315932/step, 0.323831 hours remaining, 235.992188 MB of memory in use. ENERGY: 4631000 3991.0980 20535.9850 14485.3709 239.0658 -202951.1054 2603.5932 0.0000 0.0000 52126.4421 -108969.5504 299.5714 -161095.9925 -108618.1374 299.8982 -236.6235 -201.6607 762118.6687 0.9917 1.0030 PRESSURE: 4631200 -14.4515 -174.716 -50.4027 -174.717 95.1326 -137.649 -50.4034 -137.649 -24.6087 GPRESSURE: 4631200 -23.0877 19.704 0.523018 -295.285 191.797 -100.107 -97.8347 -174.293 -39.5979 PRESSAVG: 4631200 -1.47174 -32.5879 12.7348 -32.5879 12.1382 62.379 12.7347 62.3791 14.1458 GPRESSAVG: 4631200 -2.49687 -32.2223 15.7606 -30.9047 13.396 63.0973 12.4958 62.436 13.8691 TIMING: 4631200 CPU: 14643.7, 0.00314998/step Wall: 14643.7, 0.00314998/step, 0.322698 hours remaining, 235.992188 MB of memory in use. ENERGY: 4631200 4059.5654 20484.1052 14443.3212 248.5468 -202993.1222 2634.1710 0.0000 0.0000 52164.3418 -108959.0707 299.7892 -161123.4125 -108600.6776 300.0467 18.6908 43.0372 761600.1712 8.2708 8.2561 PRESSURE: 4631400 -53.8352 -127.727 -192.946 -127.727 -148.329 111.448 -192.947 111.448 -115.612 GPRESSURE: 4631400 -16.3583 -103.084 -197.148 -106.457 -131.167 74.7589 -179.693 78.9631 -99.4403 PRESSAVG: 4631400 0.477153 18.4613 10.6751 18.4613 -11.9766 -24.4539 10.675 -24.454 11.5578 GPRESSAVG: 4631400 0.705878 17.5776 8.33033 17.3399 -11.7554 -24.8452 11.7591 -23.6464 11.4338 TIMING: 4631400 CPU: 14644.4, 0.00316777/step Wall: 14644.4, 0.00316777/step, 0.324344 hours remaining, 235.992188 MB of memory in use. ENERGY: 4631400 4034.1207 20588.4923 14427.1879 249.7611 -203169.2341 2540.4708 0.0000 0.0000 52257.1752 -109072.0262 300.3227 -161329.2014 -108704.4425 299.8116 -105.9253 -82.3219 761766.0711 0.0194 0.1281 PRESSURE: 4631600 201.736 128.845 -50.4053 128.845 -146.676 10.723 -50.4052 10.723 -303.7 GPRESSURE: 4631600 252.066 160.556 -61.2995 136.285 -89.3266 111.22 58.6918 -64.5335 -308.481 PRESSAVG: 4631600 20.1566 -13.2756 17.6486 -13.2755 23.2694 17.8376 17.6487 17.8376 -6.02201 GPRESSAVG: 4631600 21.0175 -11.2347 18.6093 -11.6979 22.1529 18.6781 15.2384 17.5265 -5.76234 TIMING: 4631600 CPU: 14645, 0.00316098/step Wall: 14645, 0.00316098/step, 0.323473 hours remaining, 235.992188 MB of memory in use. ENERGY: 4631600 3924.0874 20463.9736 14401.5521 241.0821 -202751.6910 2397.9243 0.0000 0.0000 52103.6512 -109219.4203 299.4404 -161323.0715 -108856.4792 299.6327 -82.8798 -48.5805 761339.4806 12.4680 12.4694 PRESSURE: 4631800 -11.4163 -72.5931 71.6787 -72.5928 -499.898 280.691 71.6785 280.69 -352.801 GPRESSURE: 4631800 -31.1196 -92.5449 148.507 -141.137 -492.195 216.253 31.2943 225.865 -272.491 PRESSAVG: 4631800 15.3648 4.0652 -14.1448 4.06526 -70.1893 -29.3605 -14.1448 -29.3606 14.6233 GPRESSAVG: 4631800 13.7875 2.75155 -14.9801 2.85514 -70.1566 -31.2592 -12.7663 -29.6209 15.7471 TIMING: 4631800 CPU: 14645.6, 0.00314447/step Wall: 14645.6, 0.00314447/step, 0.321609 hours remaining, 235.992188 MB of memory in use. ENERGY: 4631800 3954.8056 20652.4617 14431.1587 238.5775 -203132.5429 2561.2963 0.0000 0.0000 52246.1373 -109048.1056 300.2593 -161294.2429 -108685.8618 299.6332 -288.0384 -265.2685 762150.4285 -13.4004 -13.5407 PRESSURE: 4632000 -24.7354 -5.01002 112.357 -5.01003 -221.433 -148.987 112.357 -148.986 -88.0065 GPRESSURE: 4632000 -35.0995 -43.3338 121.927 43.3731 -113.417 -76.2488 122.701 -190.44 -98.2114 PRESSAVG: 4632000 19.5801 -60.2722 36.2723 -60.2722 -12.9304 -24.4654 36.2724 -24.4653 14.7572 GPRESSAVG: 4632000 19.357 -59.6531 36.0255 -62.5411 -12.5606 -22.9118 35.2369 -24.8532 14.5429 TIMING: 4632000 CPU: 14646.3, 0.0031604/step Wall: 14646.3, 0.0031604/step, 0.323063 hours remaining, 235.992188 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: 4632000 3981.5112 20659.2280 14385.5184 239.6773 -203472.5202 3019.9724 0.0000 0.0000 51932.4043 -109254.2086 298.4562 -161186.6129 -108911.2140 299.3630 -111.3917 -82.2427 762460.4471 7.1356 7.1131 PRESSURE: 4632200 204.005 41.4291 -215.193 41.4291 6.00163 -111.879 -215.193 -111.88 456.493 GPRESSURE: 4632200 310.91 -51.6236 -194.629 -13.3734 3.23322 -142.382 -185.508 -198.549 435.871 PRESSAVG: 4632200 52.9655 9.40525 69.5366 9.40528 -42.388 -29.4731 69.5367 -29.4731 -6.01224 GPRESSAVG: 4632200 54.828 12.2409 70.2418 8.79191 -43.4262 -30.5403 72.0727 -30.9367 -6.54575 TIMING: 4632200 CPU: 14646.9, 0.00317763/step Wall: 14646.9, 0.00317763/step, 0.324648 hours remaining, 235.992188 MB of memory in use. ENERGY: 4632200 3951.2331 20602.1700 14375.5191 254.0250 -203405.5246 3011.0835 0.0000 0.0000 52108.2689 -109103.2250 299.4669 -161211.4939 -108725.7865 299.0584 222.1668 250.0049 762215.6660 1.5218 1.6187 LDB: ============= START OF LOAD BALANCING ============== 14659.4 LDB: ============== END OF LOAD BALANCING =============== 14659.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14659.4 LDB: ============= START OF LOAD BALANCING ============== 14659.8 LDB: Largest compute 7077 load 0.034949 is 17.9% of average load 0.195551 LDB: Average compute 0.004404 is 2.3% of average load 0.195551 LDB: TIME 14659.8 LOAD: AVG 0.195551 MAX 0.217629 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.176 MB LDB: TIME 14659.8 LOAD: AVG 0.195551 MAX 0.217629 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.379 MB LDB: TIME 14659.8 LOAD: AVG 0.195551 MAX 0.217629 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.379 MB LDB: ============== END OF LOAD BALANCING =============== 14659.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14659.8 PRESSURE: 4632400 99.1136 -158.592 -313.129 -158.592 -39.9736 396.402 -313.129 396.402 -395.968 GPRESSURE: 4632400 65.9993 -182.003 -231.292 -193.28 9.36404 430.035 -242.575 262.617 -320.087 PRESSAVG: 4632400 62.4695 -3.35169 -16.1373 -3.35166 -61.988 10.7364 -16.1373 10.7365 -18.4894 GPRESSAVG: 4632400 61.4519 -7.56661 -15.6686 1.21557 -60.8444 10.7488 -17.2147 11.0387 -18.8416 TIMING: 4632400 CPU: 14647.6, 0.00324247/step Wall: 14647.6, 0.00324247/step, 0.331092 hours remaining, 236.164062 MB of memory in use. ENERGY: 4632400 3910.7336 20544.9183 14497.0058 247.6826 -203103.1532 2556.9465 0.0000 0.0000 52047.1810 -109298.6854 299.1159 -161345.8664 -108927.4884 298.8731 -112.2759 -81.5744 762035.7551 -6.0026 -6.0780 PRESSURE: 4632600 71.5874 -56.252 -141.656 -56.2521 130.151 -73.2843 -141.656 -73.2837 -163.554 GPRESSURE: 4632600 82.5929 -79.4973 -111.341 -17.8709 171.136 -102.701 -4.13538 66.5699 -135.27 PRESSAVG: 4632600 -13.2195 13.0056 -18.4895 13.0056 -45.7415 -17.2496 -18.4895 -17.2496 25.8726 GPRESSAVG: 4632600 -13.3527 12.6229 -18.8877 12.0788 -45.8238 -17.1678 -17.0964 -16.3764 26.2755 TIMING: 4632600 CPU: 14648.2, 0.00315675/step Wall: 14648.2, 0.00315675/step, 0.322164 hours remaining, 236.367188 MB of memory in use. ENERGY: 4632600 3998.1904 20223.4270 14444.7043 268.1332 -203199.8358 2882.8547 0.0000 0.0000 52173.1358 -109209.3904 299.8397 -161382.5262 -108842.0125 298.8573 12.7281 39.4863 761121.6797 -11.0295 -10.9670 PRESSURE: 4632800 5.75706 -140.984 -129.392 -140.984 -102.501 -227.056 -129.392 -227.058 -733.24 GPRESSURE: 4632800 60.3964 -1.30018 -140.101 -195.691 -63.8891 -249.489 -193.317 -142.466 -743.483 PRESSAVG: 4632800 2.04371 -35.6803 -19.2293 -35.6803 -0.165717 -63.15 -19.2293 -63.15 -9.8931 GPRESSAVG: 4632800 2.93773 -34.5254 -21.1101 -38.1277 -1.38831 -65.0363 -19.3152 -63.6527 -9.98025 TIMING: 4632800 CPU: 14648.8, 0.00318687/step Wall: 14648.8, 0.00318687/step, 0.325061 hours remaining, 236.367188 MB of memory in use. ENERGY: 4632800 4039.1358 20552.4356 14380.3353 251.3981 -202699.1197 2299.3227 0.0000 0.0000 52040.5291 -109135.9631 299.0776 -161176.4921 -108775.9510 298.9514 -276.6611 -248.9920 762293.6682 -2.6717 -2.8103 PRESSURE: 4633000 -28.5035 -81.9259 -120.808 -81.9269 15.8734 63.4684 -120.807 63.4688 554.856 GPRESSURE: 4633000 69.0886 -33.8422 -94.7148 -157.4 25.5099 120.287 -179.929 50.4702 534.625 PRESSAVG: 4633000 52.5712 -28.0579 -19.7956 -28.058 11.95 61.2011 -19.7956 61.201 2.37894 GPRESSAVG: 4633000 52.4358 -28.4269 -17.7236 -26.5 10.8777 62.4972 -20.8218 59.5842 3.30803 TIMING: 4633000 CPU: 14649.5, 0.00318454/step Wall: 14649.5, 0.00318454/step, 0.324646 hours remaining, 236.609375 MB of memory in use. ENERGY: 4633000 3993.3679 20509.1178 14408.8445 256.1559 -203658.0529 3079.1174 0.0000 0.0000 52090.1604 -109321.2890 299.3629 -161411.4494 -108963.1674 299.4507 180.7421 209.7413 763241.6051 22.3000 22.2072 PRESSURE: 4633200 -41.6194 169.353 47.7452 169.353 76.852 -253.186 47.7453 -253.186 59.4046 GPRESSURE: 4633200 22.094 178.922 86.4159 113.105 167.952 -279.022 -74.4544 -196.883 6.18147 PRESSAVG: 4633200 22.9707 -5.01463 44.7318 -5.0146 -25.7546 -19.5967 44.7318 -19.5967 -31.9289 GPRESSAVG: 4633200 22.7769 -5.20842 43.6784 -3.27458 -24.086 -21.1862 45.4507 -18.2479 -33.0406 TIMING: 4633200 CPU: 14650.1, 0.00317972/step Wall: 14650.1, 0.00317972/step, 0.323978 hours remaining, 236.609375 MB of memory in use. ENERGY: 4633200 3952.3570 20491.3477 14481.3016 251.1884 -203484.4159 2878.6529 0.0000 0.0000 51752.5332 -109677.0352 297.4225 -161429.5684 -109325.7906 298.9394 31.5457 65.4092 763066.1960 -11.5709 -11.4499 PRESSURE: 4633400 -117.966 -16.0462 -103.339 -16.0457 -98.4188 53.5681 -103.338 53.569 -143.715 GPRESSURE: 4633400 -183.877 51.5908 -63.5045 -31.1232 -25.9855 11.4101 -53.9956 109.745 -58.1539 PRESSAVG: 4633400 16.0504 8.11052 -15.0653 8.11052 -53.4645 -9.51924 -15.0653 -9.51916 6.02034 GPRESSAVG: 4633400 15.2884 9.04442 -13.9567 7.78568 -53.5148 -6.93007 -16.4819 -8.2462 6.9663 TIMING: 4633400 CPU: 14650.7, 0.00316704/step Wall: 14650.7, 0.00316704/step, 0.32251 hours remaining, 236.609375 MB of memory in use. ENERGY: 4633400 4006.6371 20462.8822 14409.5035 238.3248 -203049.3969 2427.3799 0.0000 0.0000 51790.3961 -109714.2733 297.6401 -161504.6695 -109351.0250 297.8325 -120.0331 -89.3389 762586.9064 -10.4646 -10.4200 PRESSURE: 4633600 -8.58051 211.235 -111.991 211.235 27.3074 60.9935 -111.991 60.9936 -219.465 GPRESSURE: 4633600 53.8666 314.524 -77.7239 149.171 -21.1154 27.3596 -29.9747 132.089 -162.775 PRESSAVG: 4633600 62.7383 -16.6847 -6.20477 -16.6847 -58.2875 -43.8036 -6.20474 -43.8038 -19.7581 GPRESSAVG: 4633600 63.3298 -16.2788 -5.99794 -19.3731 -58.0952 -45.0727 -6.17976 -43.6539 -20.7793 TIMING: 4633600 CPU: 14651.4, 0.00316816/step Wall: 14651.4, 0.00316816/step, 0.322449 hours remaining, 236.609375 MB of memory in use. ENERGY: 4633600 3928.9498 20655.4806 14334.9768 243.4634 -202882.4768 2468.2219 0.0000 0.0000 51728.7252 -109522.6590 297.2857 -161251.3842 -109156.3467 298.5058 -66.9126 -43.3412 765578.2257 -5.1024 -5.1816 PRESSURE: 4633800 -230.979 -85.9336 -78.7836 -85.9337 -352.035 183.804 -78.7839 183.804 -412.908 GPRESSURE: 4633800 -222.323 -106.684 5.16165 -64.5324 -324.311 150.947 -105.39 95.574 -373.399 PRESSAVG: 4633800 -30.3335 -18.605 -7.51205 -18.6051 4.14818 -11.0517 -7.51196 -11.0518 13.5912 GPRESSAVG: 4633800 -30.3752 -20.3844 -7.57854 -15.999 4.0199 -12.9597 -5.19377 -10.5409 13.6218 TIMING: 4633800 CPU: 14652, 0.0031676/step Wall: 14652, 0.0031676/step, 0.322216 hours remaining, 236.679688 MB of memory in use. ENERGY: 4633800 4053.5498 20614.4200 14375.8361 249.7669 -203078.9037 2380.2548 0.0000 0.0000 51860.2378 -109544.8383 298.0415 -161405.0761 -109191.1731 298.7087 -331.9741 -306.6777 764368.7066 -4.1980 -4.2445 PRESSURE: 4634000 -389.861 63.3145 -47.1516 63.314 -67.5702 -39.5957 -47.1516 -39.5971 106.021 GPRESSURE: 4634000 -364.106 164.818 -84.4977 88.3175 -62.3973 0.982245 59.7904 -272.565 158.881 PRESSAVG: 4634000 63.0553 45.8342 13.4138 45.8342 -35.4611 -6.16356 13.4138 -6.16348 16.9952 GPRESSAVG: 4634000 62.4701 46.0813 13.5321 45.3567 -34.9416 -4.91578 10.6158 -7.9151 17.2741 TIMING: 4634000 CPU: 14652.6, 0.00317976/step Wall: 14652.6, 0.00317976/step, 0.323275 hours remaining, 236.679688 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: 4634000 3907.7176 20593.7428 14389.0171 240.8283 -202944.6614 2580.4843 0.0000 0.0000 51893.1121 -109339.7592 298.2304 -161232.8713 -108972.0539 298.8689 -117.1368 -89.2074 763252.5996 14.8631 14.9342 PRESSURE: 4634200 -79.5375 -34.6068 -136.794 -34.6068 -441.029 -130.077 -136.793 -130.078 -395.76 GPRESSURE: 4634200 -91.855 24.1559 -90.0006 -89.8474 -401.898 -74.2431 -45.6235 -145.911 -341.157 PRESSAVG: 4634200 8.84751 50.4221 -29.0151 50.4221 -10.1855 1.48155 -29.0151 1.48158 -24.5055 GPRESSAVG: 4634200 8.69616 51.1018 -29.4933 48.4461 -9.93806 2.0578 -27.2095 2.5272 -24.236 TIMING: 4634200 CPU: 14653.3, 0.00317394/step Wall: 14653.3, 0.00317394/step, 0.322507 hours remaining, 236.679688 MB of memory in use. ENERGY: 4634200 3995.3944 20488.4870 14356.6467 243.5017 -203113.5454 2729.5966 0.0000 0.0000 52031.6641 -109268.2549 299.0267 -161299.9190 -108911.2928 299.2934 -305.4422 -278.3033 762762.2587 -8.6145 -8.4926 PRESSURE: 4634400 -104.544 66.8346 -82.0751 66.8338 -201.59 293.312 -82.0755 293.313 160.16 GPRESSURE: 4634400 -121.903 -38.1975 -26.6193 72.2054 -89.4207 305.066 -29.6927 261.05 145.317 PRESSAVG: 4634400 23.1477 26.3578 -66.7272 26.3578 -12.5787 10.0457 -66.7272 10.0457 1.08926 GPRESSAVG: 4634400 23.5247 26.3008 -65.4922 28.9439 -12.7282 9.67799 -65.3236 10.3548 1.14381 TIMING: 4634400 CPU: 14653.9, 0.003181/step Wall: 14653.9, 0.003181/step, 0.323048 hours remaining, 236.679688 MB of memory in use. ENERGY: 4634400 3991.6094 20524.5784 14474.1635 253.1289 -203217.4566 2617.6820 0.0000 0.0000 52140.9314 -109215.3630 299.6546 -161356.2944 -108856.3280 299.2409 -48.6582 -22.0023 761659.6388 3.8861 3.9801 PRESSURE: 4634600 -192.745 -49.4402 -123.917 -49.4401 -335.15 19.6071 -123.918 19.6071 -175.974 GPRESSURE: 4634600 -181.187 -135.359 -188.563 -32.1998 -289.769 58.5692 -166.085 -49.9611 -157.107 PRESSAVG: 4634600 -0.0368519 -17.1456 11.4215 -17.1456 33.5879 -14.9179 11.4215 -14.9179 7.47531 GPRESSAVG: 4634600 -0.00668041 -17.2925 12.1425 -16.8538 32.6693 -14.8221 8.28075 -13.262 7.9375 TIMING: 4634600 CPU: 14654.5, 0.00318404/step Wall: 14654.5, 0.00318404/step, 0.32318 hours remaining, 236.679688 MB of memory in use. ENERGY: 4634600 3967.5698 20551.6729 14470.4605 233.5530 -202931.4459 2515.4665 0.0000 0.0000 52134.1843 -109058.5388 299.6159 -161192.7231 -108692.0323 299.2716 -234.6232 -209.3543 763598.6376 13.6755 13.5334 PRESSURE: 4634800 -61.694 106.717 -128.495 106.717 82.2517 113.273 -128.494 113.274 114.045 GPRESSURE: 4634800 37.8398 29.2539 -162.416 49.5508 103.127 62.1229 -102.022 113.646 68.3906 PRESSAVG: 4634800 -34.2471 -19.2399 -14.5411 -19.2398 25.5397 -44.5758 -14.5411 -44.5757 -12.4199 GPRESSAVG: 4634800 -34.2815 -19.5582 -16.1083 -21.5811 25.2861 -43.3097 -13.1 -45.8975 -11.9759 TIMING: 4634800 CPU: 14655.2, 0.00317963/step Wall: 14655.2, 0.00317963/step, 0.322556 hours remaining, 236.679688 MB of memory in use. ENERGY: 4634800 3954.0270 20536.2950 14457.2386 235.1491 -203119.2105 2527.5294 0.0000 0.0000 52231.5501 -109177.4212 300.1754 -161408.9713 -108815.7458 299.3926 44.8674 69.7858 761489.0927 -7.0424 -6.9904 PRESSURE: 4635000 227.362 -259.434 62.0758 -259.433 293.388 133.007 62.0753 133.007 10.4287 GPRESSURE: 4635000 382.801 -251.815 85.2979 -227.29 253.48 138.989 -23.5867 13.5442 -2.89961 PRESSAVG: 4635000 7.94856 0.897955 -1.96401 0.897953 -5.25031 -40.2466 -1.96399 -40.2465 1.97171 GPRESSAVG: 4635000 7.83634 0.697099 -0.152692 2.39574 -3.99413 -40.7648 -1.27129 -42.6663 0.913766 TIMING: 4635000 CPU: 14655.8, 0.00316885/step Wall: 14655.8, 0.00316885/step, 0.321286 hours remaining, 236.679688 MB of memory in use. ENERGY: 4635000 3957.7494 20450.1160 14363.3921 259.9830 -203205.8903 2838.1272 0.0000 0.0000 52128.0429 -109208.4798 299.5806 -161336.5227 -108850.2521 299.3514 177.0597 211.1272 762250.6880 1.5567 1.5853 PRESSURE: 4635200 252.173 -50.5049 52.3194 -50.5043 179.045 -137.829 52.3196 -137.829 241.731 GPRESSURE: 4635200 172.559 -67.2155 -70.4507 -61.0463 273.492 -136.509 -14.5386 -142.076 311.354 PRESSAVG: 4635200 32.4566 -19.1419 28.3763 -19.1419 -24.4409 19.6153 28.3764 19.6153 0.154313 GPRESSAVG: 4635200 32.4569 -18.0105 25.6578 -20.7725 -24.9225 17.8261 29.9137 22.4523 0.489032 TIMING: 4635200 CPU: 14656.4, 0.003148/step Wall: 14656.4, 0.003148/step, 0.318997 hours remaining, 236.679688 MB of memory in use. ENERGY: 4635200 3874.2468 20662.6625 14429.6715 256.4405 -203286.9381 2770.3573 0.0000 0.0000 52078.8849 -109214.6747 299.2981 -161293.5596 -108856.7199 299.2113 224.3163 252.4683 761555.0926 2.7233 2.6745 PRESSURE: 4635400 -176.717 -152.118 137.415 -152.117 293.673 -82.0426 137.416 -82.0427 211.517 GPRESSURE: 4635400 -79.7346 -107.717 245.21 -35.9327 278.884 -16.781 288.662 -176.167 199.533 PRESSAVG: 4635400 18.1085 -17.3949 11.3456 -17.3949 -5.07381 -54.1804 11.3457 -54.1804 -11.1439 GPRESSAVG: 4635400 17.4706 -18.4674 13.1875 -17.0603 -3.83205 -52.6591 8.82859 -56.6007 -11.8753 TIMING: 4635400 CPU: 14657.1, 0.00314794/step Wall: 14657.1, 0.00314794/step, 0.318817 hours remaining, 236.679688 MB of memory in use. ENERGY: 4635400 4002.1771 20586.0701 14457.3755 260.3131 -203139.5478 2320.9537 0.0000 0.0000 52351.5213 -109161.1371 300.8649 -161512.6583 -108797.5803 299.3693 109.4911 132.8940 760174.1953 0.6303 0.5877 PRESSURE: 4635600 -154.017 -57.3383 -198.983 -57.3388 -268.508 -192.331 -198.983 -192.332 -394.162 GPRESSURE: 4635600 -106.158 -22.9512 -251.463 -11.7625 -203.106 -209.967 -258.992 -31.9482 -423.631 PRESSAVG: 4635600 -24.771 13.5043 44.7979 13.5043 13.3485 -37.3213 44.7979 -37.3213 -0.0456318 GPRESSAVG: 4635600 -23.2573 14.679 43.573 14.5857 11.4262 -37.3727 45.4331 -37.1578 0.215413 TIMING: 4635600 CPU: 14657.7, 0.00314202/step Wall: 14657.7, 0.00314202/step, 0.318042 hours remaining, 236.656250 MB of memory in use. ENERGY: 4635600 4024.6983 20722.1146 14489.7413 245.8324 -203121.2464 2294.4625 0.0000 0.0000 52101.1423 -109243.2550 299.4260 -161344.3973 -108883.5917 299.6677 -272.2290 -244.2983 761148.3918 -3.8227 -3.8719 PRESSURE: 4635800 106.188 59.8886 134.917 59.8896 -18.3205 -42.2522 134.917 -42.2514 14.0592 GPRESSURE: 4635800 114.506 31.3208 199.765 -6.93716 62.7099 -37.5469 166.757 -49.295 4.14152 PRESSAVG: 4635800 18.9182 -22.8827 58.0517 -22.8828 -28.7334 -30.8022 58.0516 -30.8022 26.46 GPRESSAVG: 4635800 18.2222 -22.554 58.7431 -23.0509 -27.4219 -31.5022 58.7258 -30.9667 25.9775 TIMING: 4635800 CPU: 14658.3, 0.00316446/step Wall: 14658.3, 0.00316446/step, 0.320138 hours remaining, 236.679688 MB of memory in use. ENERGY: 4635800 4010.8528 20515.5114 14511.1625 254.8487 -203318.6288 2841.3030 0.0000 0.0000 51965.6537 -109219.2968 298.6473 -161184.9505 -108860.8298 299.3663 33.9757 60.4525 762161.6406 5.5483 5.5926 PRESSURE: 4636000 -147.626 -319.133 -24.5206 -319.133 -185.485 -137.778 -24.5207 -137.778 247.544 GPRESSURE: 4636000 -151.375 -255.223 10.3642 -426.181 -49.1274 -57.9656 43.2692 -130.009 193.323 PRESSAVG: 4636000 -49.4583 -47.7971 58.6448 -47.7972 39.0192 -9.64097 58.6448 -9.64103 -19.1189 GPRESSAVG: 4636000 -50.0539 -46.5079 56.7561 -48.4113 38.9914 -9.28987 59.3007 -9.18875 -19.04 TIMING: 4636000 CPU: 14659, 0.0031608/step Wall: 14659, 0.0031608/step, 0.319592 hours remaining, 236.679688 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: 4636000 4073.0343 20580.6552 14493.2367 276.8131 -203995.7594 3111.3212 0.0000 0.0000 52000.2028 -109460.4960 298.8459 -161460.6988 -109103.4102 299.0059 -28.5224 -2.3932 761104.9490 -9.8527 -10.0342 PRESSURE: 4636200 211.406 -152.125 -122.511 -152.124 -125.021 -55.0733 -122.512 -55.0741 -284.903 GPRESSURE: 4636200 280.537 -254.949 -97.7958 -9.51343 -98.9828 -104.936 -89.1518 91.854 -311.377 PRESSAVG: 4636200 -7.60057 -65.6867 5.02298 -65.6867 5.9625 41.3032 5.02294 41.3033 -4.0419 GPRESSAVG: 4636200 -7.41485 -66.3271 6.8633 -66.2248 6.10907 41.6562 3.47927 43.5442 -4.68574 TIMING: 4636200 CPU: 14659.6, 0.00316086/step Wall: 14659.6, 0.00316086/step, 0.319423 hours remaining, 236.679688 MB of memory in use. ENERGY: 4636200 4009.2874 20463.3319 14426.0107 241.0760 -203493.7149 2814.5932 0.0000 0.0000 51813.6064 -109725.8093 297.7735 -161539.4158 -109373.0075 298.5307 -66.1727 -43.2744 761587.7239 -1.8933 -1.9972 LDB: ============= START OF LOAD BALANCING ============== 14672.1 LDB: ============== END OF LOAD BALANCING =============== 14672.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14672.1 LDB: ============= START OF LOAD BALANCING ============== 14672.4 LDB: Largest compute 7077 load 0.035844 is 18.3% of average load 0.195672 LDB: Average compute 0.004387 is 2.2% of average load 0.195672 LDB: TIME 14672.5 LOAD: AVG 0.195672 MAX 0.215381 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.762 MB LDB: TIME 14672.5 LOAD: AVG 0.195672 MAX 0.215381 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.801 MB LDB: TIME 14672.5 LOAD: AVG 0.195672 MAX 0.215381 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.801 MB LDB: ============== END OF LOAD BALANCING =============== 14672.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14672.5 PRESSURE: 4636400 -297.046 82.6815 22.74 82.681 -12.5924 87.2567 22.7396 87.2574 -27.0796 GPRESSURE: 4636400 -242.229 4.69695 95.0427 47.3122 -26.2493 75.8722 42.2565 83.7243 29.889 PRESSAVG: 4636400 45.6956 -23.5952 43.0567 -23.5952 26.1477 37.7813 43.0568 37.7814 9.84923 GPRESSAVG: 4636400 45.6673 -24.3202 42.6853 -22.8803 26.3663 36.3219 44.1278 36.5984 10.3584 TIMING: 4636400 CPU: 14660.2, 0.00323882/step Wall: 14660.2, 0.00323882/step, 0.32712 hours remaining, 238.734375 MB of memory in use. ENERGY: 4636400 4004.5398 20635.6928 14446.0790 245.5283 -203507.9320 2659.3845 0.0000 0.0000 51768.8744 -109747.8333 297.5164 -161516.7076 -109392.7248 298.6774 -112.2393 -79.5298 761091.2827 27.2309 27.4640 PRESSURE: 4636600 156.865 146.998 -75.4453 146.999 -545.572 130.12 -75.4459 130.12 -62.9631 GPRESSURE: 4636600 209.621 102.996 -110.698 2.29767 -560.22 114.162 -94.1301 185.916 -0.703725 PRESSAVG: 4636600 72.7146 -40.833 -27.2942 -40.8329 -18.2417 31.3482 -27.2942 31.3482 11.3709 GPRESSAVG: 4636600 72.5688 -40.0103 -25.8871 -40.8657 -17.0319 33.4263 -28.2833 29.7099 11.0524 TIMING: 4636600 CPU: 14660.9, 0.00316282/step Wall: 14660.9, 0.00316282/step, 0.319269 hours remaining, 238.804688 MB of memory in use. ENERGY: 4636600 4031.2507 20380.6976 14396.5667 262.4324 -203204.0781 2449.5434 0.0000 0.0000 52098.1095 -109585.4779 299.4086 -161683.5873 -109209.9594 299.4129 -150.5570 -117.1007 762017.2240 21.9479 22.1964 PRESSURE: 4636800 30.9384 -180.017 -26.2763 -180.016 -26.0357 232.894 -26.276 232.894 324.283 GPRESSURE: 4636800 48.6677 -64.8466 -146.198 -225.263 45.9477 204.298 49.4744 158.614 288.43 PRESSAVG: 4636800 0.208696 -26.3568 -28.8403 -26.3568 15.2101 -30.0653 -28.8403 -30.0652 -1.52827 GPRESSAVG: 4636800 -0.272008 -28.6806 -30.1703 -25.2899 13.9893 -31.5585 -27.7218 -27.488 0.438916 TIMING: 4636800 CPU: 14661.5, 0.00315615/step Wall: 14661.5, 0.00315615/step, 0.31842 hours remaining, 238.792969 MB of memory in use. ENERGY: 4636800 3978.8189 20722.8727 14430.0478 251.4757 -203567.0240 2657.0724 0.0000 0.0000 51969.5468 -109557.1898 298.6697 -161526.7366 -109199.3985 298.8429 109.7285 127.6819 760203.1969 4.6302 4.7187 PRESSURE: 4637000 85.3008 12.6286 -50.4306 12.6285 54.3612 162.257 -50.4298 162.256 -202.821 GPRESSURE: 4637000 85.2275 53.7868 -104.07 -104.467 78.029 213.741 9.97477 46.687 -152.182 PRESSAVG: 4637000 39.3553 -13.6792 5.96876 -13.6792 -36.3614 -1.40181 5.96881 -1.40174 -10.374 GPRESSAVG: 4637000 40.064 -13.1463 6.46503 -15.6503 -35.5991 -1.83299 5.44297 -3.40912 -11.7169 TIMING: 4637000 CPU: 14662.1, 0.00315543/step Wall: 14662.1, 0.00315543/step, 0.318173 hours remaining, 238.792969 MB of memory in use. ENERGY: 4637000 3949.3892 20617.5766 14388.6481 238.8835 -203189.7574 2477.0015 0.0000 0.0000 51937.9115 -109580.3471 298.4879 -161518.2586 -109213.0961 298.9248 -21.0529 3.6915 760609.1186 -2.4600 -2.4173 PRESSURE: 4637200 -10.8642 -88.1058 -157.58 -88.106 68.8122 100.106 -157.579 100.106 219.598 GPRESSURE: 4637200 -92.8314 -136.369 -170.777 -28.0657 210.983 143.808 -173.273 138.622 234.586 PRESSAVG: 4637200 28.2378 25.5362 -19.3983 25.5361 -17.1199 -1.23915 -19.3983 -1.23917 -1.73309 GPRESSAVG: 4637200 28.6685 25.6713 -19.7451 26.7509 -16.9642 -1.38804 -19.1334 -0.613772 -1.92657 TIMING: 4637200 CPU: 14662.8, 0.00315831/step Wall: 14662.8, 0.00315831/step, 0.318288 hours remaining, 238.792969 MB of memory in use. ENERGY: 4637200 4024.2945 20532.1566 14457.4402 250.3640 -203575.5866 2873.5190 0.0000 0.0000 51912.6430 -109525.1694 298.3427 -161437.8124 -109168.4212 298.6172 92.5154 117.5792 761134.4581 3.1283 3.2592 PRESSURE: 4637400 102.318 52.1804 -168.402 52.1805 -255.293 205.573 -168.403 205.573 -84.3003 GPRESSURE: 4637400 187.043 -102.713 -64.1344 101.215 -220.298 185.818 -72.3579 123.216 -125.681 PRESSAVG: 4637400 -3.58265 -8.13126 100.637 -8.13127 -13.5939 -14.705 100.637 -14.7051 32.8264 GPRESSAVG: 4637400 -4.10968 -8.89056 100.271 -8.96469 -14.2639 -14.4554 100.348 -13.8923 33.7738 TIMING: 4637400 CPU: 14663.4, 0.00315546/step Wall: 14663.4, 0.00315546/step, 0.317825 hours remaining, 238.792969 MB of memory in use. ENERGY: 4637400 4070.3980 20619.1679 14419.3472 243.0825 -203362.1157 2592.7197 0.0000 0.0000 51901.3106 -109516.0898 298.2775 -161417.4004 -109158.2113 298.4254 -79.0917 -52.9788 759704.8260 5.2166 5.1334 PRESSURE: 4637600 15.4419 76.148 77.649 76.1483 -30.5661 -146.029 77.6488 -146.03 545.98 GPRESSURE: 4637600 102.014 119.279 18.0698 94.6503 -27.291 -244.804 26.2899 -114.834 530.501 PRESSAVG: 4637600 76.7505 -28.1235 52.3772 -28.1235 -55.8376 -8.66742 52.3773 -8.66742 22.0315 GPRESSAVG: 4637600 77.426 -26.6399 51.705 -27.135 -54.6269 -8.1409 50.8115 -8.09676 20.5387 TIMING: 4637600 CPU: 14664, 0.00315328/step Wall: 14664, 0.00315328/step, 0.317431 hours remaining, 238.937500 MB of memory in use. ENERGY: 4637600 4019.2390 20705.7785 14431.4826 260.9316 -203941.0215 3009.8605 0.0000 0.0000 52173.0697 -109340.6596 299.8393 -161513.7293 -108979.3280 299.5024 176.9519 201.7416 761569.0377 14.3148 14.4459 PRESSURE: 4637800 -208.566 45.6726 -169.476 45.6724 -325.203 -4.83345 -169.475 -4.83368 -774.075 GPRESSURE: 4637800 -185.955 85.5334 -109.378 -2.54038 -305.72 -17.6511 -109.922 83.2482 -746.135 PRESSAVG: 4637800 39.1488 -16.3303 5.11985 -16.3304 -40.4315 -72.5036 5.11983 -72.5037 24.8575 GPRESSAVG: 4637800 38.6535 -16.5705 5.38283 -16.8598 -40.9278 -72.6508 6.21033 -74.5003 25.8434 TIMING: 4637800 CPU: 14664.7, 0.00315818/step Wall: 14664.7, 0.00315818/step, 0.317748 hours remaining, 238.937500 MB of memory in use. ENERGY: 4637800 4082.7305 20601.6708 14457.7157 245.8569 -203301.1417 2384.5754 0.0000 0.0000 52046.4592 -109482.1333 299.1117 -161528.5925 -109116.2726 299.8023 -435.9479 -412.6030 762345.2223 7.8583 7.8564 PRESSURE: 4638000 23.3691 39.144 -94.3398 39.1435 3.9184 -28.7495 -94.3395 -28.7499 -56.0437 GPRESSURE: 4638000 92.5656 123.856 -117.527 111.994 69.0352 -58.9188 -39.8858 41.027 -106.651 PRESSAVG: 4638000 57.9998 0.505535 -3.61956 0.505505 -38.7059 -57.6924 -3.61952 -57.6924 -26.8482 GPRESSAVG: 4638000 58.3179 1.27423 -4.76295 1.33425 -38.076 -57.0278 -1.33432 -55.2068 -27.4633 TIMING: 4638000 CPU: 14665.3, 0.00316941/step Wall: 14665.3, 0.00316941/step, 0.318702 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: 4638000 3922.8546 20598.9012 14432.3110 257.4228 -203271.3033 2559.5420 0.0000 0.0000 52008.9318 -109491.3399 298.8960 -161500.2717 -109126.4452 299.2439 -9.5854 18.3166 763564.9239 -2.5181 -2.4071 PRESSURE: 4638200 239.416 45.3867 -26.6516 45.3871 193.546 -34.5932 -26.6516 -34.5935 266.874 GPRESSURE: 4638200 259.098 -20.5262 13.5903 60.099 200.107 -171.299 -61.7345 -90.4531 326.71 PRESSAVG: 4638200 26.2003 2.7912 -40.1007 2.79127 -1.84023 -31.713 -40.1007 -31.7129 -10.0526 GPRESSAVG: 4638200 25.6888 3.42063 -37.75 0.864772 -1.3837 -31.959 -43.0276 -31.1034 -9.59447 TIMING: 4638200 CPU: 14665.9, 0.00315034/step Wall: 14665.9, 0.00315034/step, 0.316609 hours remaining, 239.058594 MB of memory in use. ENERGY: 4638200 3997.1520 20589.4653 14432.0538 233.9614 -203677.3075 2908.9095 0.0000 0.0000 52001.1861 -109514.5795 298.8515 -161515.7655 -109138.3543 298.6366 233.2788 261.9718 761469.4242 4.7692 4.9035 PRESSURE: 4638400 -263.003 -10.4633 -109.259 -10.4627 -124.761 105.158 -109.26 105.158 -143.42 GPRESSURE: 4638400 -222.503 11.1939 -135.523 -68.0151 -50.6803 125.846 -5.99481 107.531 -167.582 PRESSAVG: 4638400 33.1759 34.1483 -34.6149 34.1484 -12.8534 6.53821 -34.6149 6.53824 9.69444 GPRESSAVG: 4638400 32.1384 32.9355 -36.5106 35.458 -12.5881 7.23844 -32.7241 4.99577 10.1089 TIMING: 4638400 CPU: 14666.6, 0.00314977/step Wall: 14666.6, 0.00314977/step, 0.316377 hours remaining, 239.058594 MB of memory in use. ENERGY: 4638400 4052.1456 20487.2267 14418.8620 266.7969 -203236.0432 2477.6801 0.0000 0.0000 52068.6580 -109464.6739 299.2393 -161533.3319 -109099.3027 299.0204 -177.0610 -146.9217 762450.9773 10.0056 9.8864 PRESSURE: 4638600 36.1371 95.1283 61.3297 95.1295 -93.6771 125.884 61.3304 125.885 59.4625 GPRESSURE: 4638600 127.241 168.68 69.2894 83.9306 -82.1584 183.679 48.0707 -24.3514 -1.06147 PRESSAVG: 4638600 6.83466 7.57159 -27.262 7.57165 -11.8287 0.343267 -27.262 0.343282 5.99043 GPRESSAVG: 4638600 8.3175 8.24681 -26.2009 6.23021 -12.0599 -0.606905 -26.8705 1.47965 4.90356 TIMING: 4638600 CPU: 14667.2, 0.00314404/step Wall: 14667.2, 0.00314404/step, 0.315627 hours remaining, 239.058594 MB of memory in use. ENERGY: 4638600 4022.6774 20741.7966 14445.4705 247.7666 -203593.1388 2703.0895 0.0000 0.0000 52000.9386 -109431.3996 298.8501 -161432.3382 -109081.4633 299.2891 0.6408 14.6738 761677.4235 0.3321 0.3871 PRESSURE: 4638800 -154.792 92.1787 -11.5158 92.1795 -1.68291 -206.841 -11.5154 -206.84 -363.926 GPRESSURE: 4638800 -74.4644 29.2969 106.225 -82.357 -31.8155 -141.2 -0.795657 -247.597 -338.313 PRESSAVG: 4638800 9.70334 0.981786 -48.877 0.98171 -19.8219 -53.3434 -48.877 -53.3434 7.24167 GPRESSAVG: 4638800 10.5436 -0.591812 -50.8906 1.52939 -18.8661 -52.3042 -48.7158 -55.858 5.40513 TIMING: 4638800 CPU: 14667.8, 0.00314321/step Wall: 14667.8, 0.00314321/step, 0.315369 hours remaining, 239.058594 MB of memory in use. ENERGY: 4638800 4087.1654 20548.9074 14387.2344 230.6303 -203322.8233 2703.9789 0.0000 0.0000 51933.8788 -109431.0281 298.4647 -161364.9069 -109063.2504 298.9820 -173.4671 -148.1976 761229.7346 -0.9590 -0.9724 PRESSURE: 4639000 83.683 266.342 -89.8004 266.342 -185.561 -29.013 -89.8007 -29.0125 -266.183 GPRESSURE: 4639000 185.751 217.235 -51.5183 312.637 -265.427 -64.9001 -114.693 8.62919 -178.19 PRESSAVG: 4639000 7.48271 2.13138 -1.28334 2.13143 -6.18417 2.56837 -1.28324 2.56843 7.93862 GPRESSAVG: 4639000 8.15066 3.01045 -0.11484 2.00271 -7.44724 1.42208 -1.69912 1.62413 8.65142 TIMING: 4639000 CPU: 14668.4, 0.00313579/step Wall: 14668.4, 0.00313579/step, 0.31445 hours remaining, 239.058594 MB of memory in use. ENERGY: 4639000 3952.7485 20524.6499 14518.8391 244.7362 -203072.6144 2340.7601 0.0000 0.0000 51941.3174 -109549.5631 298.5075 -161490.8806 -109190.1508 298.6824 -122.6869 -85.9552 762035.4955 3.0791 3.1183 PRESSURE: 4639200 -205.242 -0.357821 96.7179 -0.358229 9.56833 36.4313 96.7179 36.4319 -222.868 GPRESSURE: 4639200 -105.381 -16.6667 169.75 3.66618 -33.5005 -24.0992 -40.9002 79.955 -194.182 PRESSAVG: 4639200 71.4277 -21.9054 -19.3146 -21.9053 -55.0517 -54.9908 -19.3147 -54.9908 0.290294 GPRESSAVG: 4639200 70.085 -21.8151 -19.0924 -21.7049 -53.9506 -53.717 -19.6767 -54.8241 0.723271 TIMING: 4639200 CPU: 14669.1, 0.00314267/step Wall: 14669.1, 0.00314267/step, 0.314965 hours remaining, 239.058594 MB of memory in use. ENERGY: 4639200 3964.4965 20485.2309 14427.6410 236.5713 -203383.1535 2558.0836 0.0000 0.0000 52139.9916 -109571.1387 299.6492 -161711.1302 -109212.5761 298.9057 -139.5138 -111.0210 762185.9295 5.5554 5.6192 PRESSURE: 4639400 4.31151 -50.6196 -83.6811 -50.6198 29.6736 -180.195 -83.6814 -180.194 407.541 GPRESSURE: 4639400 12.5793 -316.886 -44.0082 -69.5273 197.353 -228.572 -105.186 -91.1524 320.868 PRESSAVG: 4639400 4.66318 30.3831 10.5742 30.383 -30.1138 -28.3622 10.5742 -28.3622 16.4016 GPRESSAVG: 4639400 4.91386 28.0587 10.8985 32.4838 -31.0169 -30.0911 11.7449 -25.6108 17.3674 TIMING: 4639400 CPU: 14669.7, 0.0031421/step Wall: 14669.7, 0.0031421/step, 0.314734 hours remaining, 239.058594 MB of memory in use. ENERGY: 4639400 4051.5379 20404.3512 14517.4319 250.1617 -203679.2164 2840.9684 0.0000 0.0000 51882.5382 -109732.2270 298.1697 -161614.7652 -109374.9580 298.4591 147.1755 176.9334 761238.1270 -3.0163 -2.9118 PRESSURE: 4639600 51.9055 -126.627 35.641 -126.627 57.8327 35.1148 35.6407 35.1151 -116.459 GPRESSURE: 4639600 72.5324 -47.243 19.0457 -38.9676 23.9629 7.01103 -101.691 219.498 -45.3437 PRESSAVG: 4639600 -0.150045 42.6244 -25.379 42.6244 -60.5329 55.876 -25.379 55.8761 -13.1536 GPRESSAVG: 4639600 -0.747143 45.1793 -26.6888 41.5223 -58.8997 56.1292 -27.363 54.1637 -14.2451 TIMING: 4639600 CPU: 14670.3, 0.00316387/step Wall: 14670.3, 0.00316387/step, 0.316739 hours remaining, 239.058594 MB of memory in use. ENERGY: 4639600 3906.6026 20722.9853 14417.3430 248.8318 -203682.1027 2663.8110 0.0000 0.0000 51806.9054 -109915.6235 297.7350 -161722.5289 -109554.7978 298.5785 -2.2402 17.0505 761717.5096 -24.6122 -24.6307 PRESSURE: 4639800 167.609 -71.3118 107.715 -71.3123 188.76 -102.066 107.715 -102.067 -17.5639 GPRESSURE: 4639800 175.777 -172.458 154.01 -71.673 259.416 -82.7498 16.4393 -152.545 2.85613 PRESSAVG: 4639800 49.692 -27.933 -40.1881 -27.9329 -3.37758 53.3606 -40.188 53.3605 -9.05513 GPRESSAVG: 4639800 50.6829 -29.4711 -39.3392 -29.3154 -4.96487 53.8572 -39.5467 54.12 -8.43154 TIMING: 4639800 CPU: 14671, 0.00315004/step Wall: 14671, 0.00315004/step, 0.315179 hours remaining, 239.058594 MB of memory in use. ENERGY: 4639800 3995.5473 20429.6475 14538.1315 256.9577 -204104.0738 3036.9092 0.0000 0.0000 52318.0073 -109528.8733 300.6723 -161846.8806 -109158.0419 298.7978 112.9348 146.0166 759321.7813 12.4198 12.4288 PRESSURE: 4640000 -403.674 222.169 -22.4959 222.17 100.758 98.7589 -22.4966 98.7584 -223.355 GPRESSURE: 4640000 -345.787 188.671 -7.08342 173.26 80.716 110.393 -103.49 42.5562 -182.989 PRESSAVG: 4640000 -17.9452 -60.5545 18.6296 -60.5546 51.0714 2.89151 18.6295 2.89149 26.1265 GPRESSAVG: 4640000 -18.2691 -60.2843 19.2875 -59.8322 51.4066 2.33692 16.482 2.33109 25.9554 TIMING: 4640000 CPU: 14671.6, 0.00313503/step Wall: 14671.6, 0.00313503/step, 0.313503 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: 4640000 4041.4041 20530.5546 14511.1906 253.4562 -203687.1916 2758.5420 0.0000 0.0000 51848.3183 -109743.7257 297.9730 -161592.0441 -109377.7998 299.2205 -175.4236 -149.3533 761855.0949 19.7509 19.6976 PRESSURE: 4640200 -97.2126 19.0033 91.5133 19.0035 -82.7606 97.1574 91.5128 97.1569 -100.979 GPRESSURE: 4640200 -49.3634 48.9809 124.186 51.2406 -14.0598 90.034 3.65499 210.734 -144.115 PRESSAVG: 4640200 16.2929 -32.4011 1.21786 -32.4011 -12.9025 35.6036 1.21785 35.6036 -14.8565 GPRESSAVG: 4640200 15.6655 -29.8672 0.655357 -35.3556 -12.0733 35.5616 2.87629 35.2509 -14.8596 TIMING: 4640200 CPU: 14672.2, 0.00315232/step Wall: 14672.2, 0.00315232/step, 0.315057 hours remaining, 239.046875 MB of memory in use. ENERGY: 4640200 3971.8947 20620.1990 14530.9369 248.1639 -203300.0237 2550.1029 0.0000 0.0000 51751.9404 -109626.7859 297.4191 -161378.7263 -109277.1396 298.8048 -93.6507 -69.1795 761398.3195 -3.8221 -3.7558 LDB: ============= START OF LOAD BALANCING ============== 14684.8 LDB: ============== END OF LOAD BALANCING =============== 14684.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14684.8 LDB: ============= START OF LOAD BALANCING ============== 14685.1 LDB: Largest compute 7027 load 0.033165 is 17.0% of average load 0.195596 LDB: Average compute 0.004391 is 2.2% of average load 0.195596 LDB: TIME 14685.1 LOAD: AVG 0.195596 MAX 0.214696 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.586 MB LDB: TIME 14685.1 LOAD: AVG 0.195596 MAX 0.214696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: TIME 14685.1 LOAD: AVG 0.195596 MAX 0.214696 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.789 MB LDB: ============== END OF LOAD BALANCING =============== 14685.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14685.1 PRESSURE: 4640400 283.314 -101.519 142.829 -101.519 18.2206 145.084 142.829 145.083 -290.503 GPRESSURE: 4640400 263.838 -134.626 66.2528 -80.6157 22.1941 256.081 115.482 75.3385 -167.741 PRESSAVG: 4640400 17.7602 -24.5442 44.8771 -24.5441 2.17588 37.0816 44.8771 37.0815 -24.3084 GPRESSAVG: 4640400 17.342 -27.2826 43.5326 -22.5255 2.67287 38.1185 45.0281 37.2285 -24.0473 TIMING: 4640400 CPU: 14672.9, 0.00324355/step Wall: 14672.9, 0.00324355/step, 0.323994 hours remaining, 235.617188 MB of memory in use. ENERGY: 4640400 3991.3535 20437.8791 14462.0804 223.0828 -203400.6915 2683.7884 0.0000 0.0000 52133.0480 -109469.4594 299.6093 -161602.5073 -109114.2866 298.5469 3.6771 39.4304 760613.2801 -1.4575 -1.3442 PRESSURE: 4640600 347.293 95.229 49.9067 95.2283 -52.8432 -165.556 49.9055 -165.558 84.1046 GPRESSURE: 4640600 324.528 126.822 19.0689 -36.4831 97.1746 -132.475 106.267 27.3661 50.2805 PRESSAVG: 4640600 39.0441 -39.8156 -57.9859 -39.8156 0.956638 22.8742 -57.9859 22.8742 -20.7051 GPRESSAVG: 4640600 39.167 -38.8997 -57.0128 -39.0058 1.04834 21.896 -56.2278 23.2144 -21.1235 TIMING: 4640600 CPU: 14673.5, 0.00313812/step Wall: 14673.5, 0.00313812/step, 0.313289 hours remaining, 235.617188 MB of memory in use. ENERGY: 4640600 3915.1706 20438.5204 14512.5726 235.2848 -202947.7530 2385.2247 0.0000 0.0000 52077.4225 -109383.5575 299.2897 -161460.9800 -109014.9981 298.9859 126.1848 157.3276 761381.1495 6.4319 6.3639 PRESSURE: 4640800 -62.8206 -13.6583 94.4658 -13.658 -145.663 -126.2 94.4668 -126.199 -314.329 GPRESSURE: 4640800 8.19692 -132.358 173.415 -89.9675 -144.714 -69.8435 45.4966 -120.046 -311.006 PRESSAVG: 4640800 16.1287 -53.2987 -36.241 -53.2988 -38.8933 -10.6245 -36.241 -10.6244 -0.374496 GPRESSAVG: 4640800 15.8052 -56.1881 -36.3254 -52.0849 -39.4761 -9.55782 -38.575 -10.3541 0.0900031 TIMING: 4640800 CPU: 14674.1, 0.00315389/step Wall: 14674.1, 0.00315389/step, 0.314688 hours remaining, 235.617188 MB of memory in use. ENERGY: 4640800 3951.6709 20542.4757 14391.7458 248.2230 -202946.5232 2569.0192 0.0000 0.0000 51886.2486 -109357.1399 298.1910 -161243.3886 -108993.9758 298.7906 -174.2709 -149.1741 761513.8146 -7.7130 -7.8603 PRESSURE: 4641000 -92.9975 84.8234 136.448 84.8243 -67.4062 157.455 136.447 157.456 187.762 GPRESSURE: 4641000 -2.96572 31.6231 134.742 46.6881 -89.8489 156.447 194.797 37.6067 203.052 PRESSAVG: 4641000 24.4858 -48.1084 -8.72316 -48.1084 -52.2255 -21.5403 -8.7231 -21.5403 5.34691 GPRESSAVG: 4641000 25.1796 -47.2064 -7.45485 -47.5715 -51.9704 -20.7892 -9.34578 -21.8275 5.04617 TIMING: 4641000 CPU: 14674.8, 0.00315631/step Wall: 14674.8, 0.00315631/step, 0.314754 hours remaining, 235.617188 MB of memory in use. ENERGY: 4641000 4046.3562 20546.6390 14442.4554 255.1289 -203077.2820 2558.8044 0.0000 0.0000 51960.6978 -109267.2004 298.6188 -161227.8982 -108906.5109 299.2830 9.1194 36.7458 761540.3819 -7.4643 -7.2482 PRESSURE: 4641200 102.204 184.272 -28.1331 184.273 107.769 151.572 -28.1321 151.573 -66.9147 GPRESSURE: 4641200 131.076 91.6704 10.9404 209.502 144.324 211.839 -9.11237 149.241 -44.3088 PRESSAVG: 4641200 82.6225 3.76479 -2.16665 3.76484 -105.06 -1.6722 -2.16661 -1.67223 14.239 GPRESSAVG: 4641200 82.1649 4.46637 -2.71929 2.25473 -105.993 -1.9075 -0.0262397 -2.18061 15.4811 TIMING: 4641200 CPU: 14675.4, 0.00316864/step Wall: 14675.4, 0.00316864/step, 0.315808 hours remaining, 235.617188 MB of memory in use. ENERGY: 4641200 4073.2363 20623.2625 14443.9017 264.1487 -203564.8551 2773.8696 0.0000 0.0000 52149.8426 -109236.5935 299.7059 -161386.4362 -108866.7339 299.3686 47.6861 77.0306 762425.8678 -2.7328 -2.7823 PRESSURE: 4641400 -200.261 -15.4417 -169.445 -15.4418 -83.62 -130.84 -169.445 -130.84 79.2925 GPRESSURE: 4641400 -42.5025 -9.18045 -176.784 -5.68369 -13.068 -64.9754 -104.071 -127.203 -67.4009 PRESSAVG: 4641400 46.8481 8.38168 -86.7797 8.38169 -73.9739 -0.457676 -86.7798 -0.457786 12.684 GPRESSAVG: 4641400 46.2462 9.08184 -86.6336 7.57753 -71.6352 -1.5555 -87.2227 0.249566 11.1654 TIMING: 4641400 CPU: 14676, 0.00318453/step Wall: 14676, 0.00318453/step, 0.317215 hours remaining, 235.617188 MB of memory in use. ENERGY: 4641400 3994.4262 20544.5350 14456.3518 238.7565 -202949.8689 2372.5525 0.0000 0.0000 52247.4828 -109095.7641 300.2670 -161343.2469 -108730.8812 299.2586 -68.1961 -40.9904 762039.6102 -4.8139 -4.7412 PRESSURE: 4641600 -599.73 103.945 45.0139 103.944 -50.8969 41.0038 45.0147 41.004 -498.916 GPRESSURE: 4641600 -528.289 -31.6832 -12.8092 50.4442 -62.0351 7.17046 186.225 -25.8492 -466.735 PRESSAVG: 4641600 41.8187 -22.2987 -69.6481 -22.2987 -14.1819 -9.72111 -69.6481 -9.72111 9.3419 GPRESSAVG: 4641600 41.9765 -22.7729 -70.4714 -21.2864 -15.0529 -10.1168 -70.6991 -9.9434 10.2317 TIMING: 4641600 CPU: 14676.7, 0.00316373/step Wall: 14676.7, 0.00316373/step, 0.314967 hours remaining, 235.617188 MB of memory in use. ENERGY: 4641600 3974.0608 20540.7182 14471.1547 231.7531 -202836.8589 2289.3240 0.0000 0.0000 52193.6261 -109136.2219 299.9575 -161329.8481 -108761.1583 299.8687 -383.1811 -352.3531 764754.4662 12.3263 12.3851 PRESSURE: 4641800 439.028 87.4552 -344.056 87.4552 88.0648 -18.6825 -344.056 -18.6821 614.064 GPRESSURE: 4641800 437.915 19.0335 -371.919 147.935 122.866 3.73933 -262.399 60.8519 652.612 PRESSAVG: 4641800 15.1228 7.48929 -43.8592 7.48927 -54.3969 3.43992 -43.8592 3.43988 3.17066 GPRESSAVG: 4641800 14.574 7.77603 -42.7761 7.67944 -55.044 3.70695 -43.1236 3.16176 4.21915 TIMING: 4641800 CPU: 14677.3, 0.00316304/step Wall: 14677.3, 0.00316303/step, 0.314722 hours remaining, 235.617188 MB of memory in use. ENERGY: 4641800 3963.5137 20516.3945 14474.0858 264.3843 -203503.3873 2978.1640 0.0000 0.0000 52253.8324 -109053.0126 300.3035 -161306.8451 -108681.2749 299.6792 380.3855 404.4643 762476.8878 -12.0345 -12.0836 PRESSURE: 4642000 -155.529 158.619 -67.4935 158.62 -368.002 152.901 -67.4934 152.902 -255.3 GPRESSURE: 4642000 -113.234 121.59 18.8834 216.693 -262.851 196.377 -3.67367 120.797 -317.495 PRESSAVG: 4642000 14.8599 -32.3443 15.7551 -32.3443 2.70404 15.8841 15.7551 15.8841 -0.502711 GPRESSAVG: 4642000 15.4779 -32.3502 14.1424 -34.1373 2.74658 16.6738 15.6831 16.159 -1.30662 TIMING: 4642000 CPU: 14677.9, 0.00316707/step Wall: 14677.9, 0.00316707/step, 0.314948 hours remaining, 235.617188 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: 4642000 3953.6169 20687.9098 14494.2074 250.7010 -203327.9094 2720.1892 0.0000 0.0000 52106.8090 -109114.4762 299.4585 -161221.2852 -108744.1272 299.4855 -259.6102 -231.1933 763298.5039 5.6871 5.6393 PRESSURE: 4642200 -61.5971 -54.75 -20.1475 -54.75 -228.699 -58.4728 -20.1473 -58.4724 188.499 GPRESSURE: 4642200 -69.6825 -67.4433 46.179 -64.4567 -198.474 -93.5019 -17.9917 -137.745 259.516 PRESSAVG: 4642200 19.6955 -21.9818 31.7691 -21.9818 -37.6874 -0.637973 31.769 -0.637957 -10.9689 GPRESSAVG: 4642200 18.9804 -22.5865 30.6265 -20.7898 -37.2595 -2.02726 34.0547 -1.57146 -10.5779 TIMING: 4642200 CPU: 14678.6, 0.00316126/step Wall: 14678.6, 0.00316126/step, 0.314194 hours remaining, 235.617188 MB of memory in use. ENERGY: 4642200 3994.1312 20458.0789 14472.4597 255.6564 -203027.2847 2737.5596 0.0000 0.0000 51978.4155 -109130.9834 298.7207 -161109.3989 -108763.3979 298.9681 -33.9326 -2.8804 765282.1495 -9.6536 -9.6190 PRESSURE: 4642400 134.073 -153.007 -88.2086 -153.006 65.399 160.805 -88.2079 160.803 317.176 GPRESSURE: 4642400 174.693 -165.57 -84.4296 -170.998 117.602 239.233 -36.2203 82.1147 313.574 PRESSAVG: 4642400 19.5214 -51.505 -23.4429 -51.505 -45.2626 -56.5493 -23.4429 -56.5494 -3.33271 GPRESSAVG: 4642400 20.2899 -50.371 -21.6651 -50.5596 -46.1524 -55.1991 -26.2559 -57.681 -3.7579 TIMING: 4642400 CPU: 14679.2, 0.00315706/step Wall: 14679.2, 0.00315706/step, 0.313601 hours remaining, 235.617188 MB of memory in use. ENERGY: 4642400 3980.2116 20463.1251 14422.0672 259.9514 -202999.4369 2744.4880 0.0000 0.0000 51902.0807 -109227.5129 298.2820 -161129.5936 -108865.1556 299.1705 172.2162 201.9562 763316.5071 -9.6913 -9.8735 PRESSURE: 4642600 -31.275 -223.994 14.6494 -223.994 -257.383 -145.575 14.6489 -145.575 -495.23 GPRESSURE: 4642600 -12.2979 -182.877 -28.5887 -221.386 -233.148 -49.0984 -52.243 -213.118 -451.308 PRESSAVG: 4642600 -6.57492 -44.8458 -7.89037 -44.8458 -37.6972 -39.7082 -7.89039 -39.7081 4.04736 GPRESSAVG: 4642600 -6.56559 -43.7445 -5.93665 -46.1861 -37.3691 -40.0247 -8.85137 -38.4554 4.40335 TIMING: 4642600 CPU: 14679.8, 0.0031621/step Wall: 14679.8, 0.0031621/step, 0.313926 hours remaining, 235.617188 MB of memory in use. ENERGY: 4642600 4018.0315 20576.0267 14468.6722 250.8452 -202958.2157 2495.3873 0.0000 0.0000 52267.8377 -108881.4151 300.3840 -161149.2528 -108521.9888 299.0852 -261.2960 -232.2513 764260.3582 -13.4082 -13.1771 PRESSURE: 4642800 -8.00576 72.713 -99.5259 72.7125 -159.916 -14.9183 -99.5259 -14.9186 -229.348 GPRESSURE: 4642800 52.0792 99.7916 -23.0993 13.0608 -148.864 -57.7277 -120.135 -70.6753 -212.024 PRESSAVG: 4642800 46.1278 -84.0295 1.45775 -84.0295 -61.3068 40.2504 1.45776 40.2504 14.0135 GPRESSAVG: 4642800 46.2927 -85.198 0.304416 -82.1442 -61.5861 39.37 3.44442 40.9463 13.7338 TIMING: 4642800 CPU: 14680.5, 0.00320054/step Wall: 14680.5, 0.00320054/step, 0.317565 hours remaining, 235.617188 MB of memory in use. ENERGY: 4642800 3931.7372 20635.5700 14449.9440 256.6365 -203248.0064 2782.7254 0.0000 0.0000 52234.9021 -108956.4911 300.1947 -161191.3932 -108592.2360 300.0997 -132.4232 -102.9362 763968.8031 -0.3885 -0.5199 PRESSURE: 4643000 -176.625 -223.827 -117.693 -223.828 85.8232 -159.508 -117.693 -159.508 -233.256 GPRESSURE: 4643000 -181.011 -281.021 -161.764 -212.545 133.303 -123.803 -41.1773 -86.9929 -212.855 PRESSAVG: 4643000 -9.52239 -87.3406 7.88517 -87.3406 14.9683 14.4999 7.88514 14.4999 -8.12253 GPRESSAVG: 4643000 -9.43377 -88.4209 6.40267 -90.6576 16.0281 15.6948 6.62175 13.4792 -8.8089 TIMING: 4643000 CPU: 14681.1, 0.00318804/step Wall: 14681.1, 0.00318804/step, 0.316148 hours remaining, 235.617188 MB of memory in use. ENERGY: 4643000 3934.3260 20651.7526 14491.9882 256.7484 -202845.4129 2396.4437 0.0000 0.0000 52001.6935 -109112.4605 298.8544 -161114.1540 -108753.3339 299.7492 -108.0191 -86.8544 763744.4670 -0.8922 -0.7382 PRESSURE: 4643200 -17.8324 -199.626 76.9147 -199.626 -144.588 -80.0274 76.9143 -80.0269 82.2443 GPRESSURE: 4643200 -59.4217 -108.42 107.22 -107.162 -60.4634 31.0779 208.585 -207.326 115.26 PRESSAVG: 4643200 -19.9483 -80.369 -23.2949 -80.369 10.0848 0.455639 -23.2948 0.455738 12.9622 GPRESSAVG: 4643200 -20.7178 -80.145 -22.5734 -77.2206 9.29207 1.55779 -21.6245 1.78949 14.5028 TIMING: 4643200 CPU: 14681.7, 0.00319046/step Wall: 14681.7, 0.00319046/step, 0.31621 hours remaining, 235.617188 MB of memory in use. ENERGY: 4643200 3981.1702 20572.3558 14471.4339 260.5343 -203184.4509 2425.0357 0.0000 0.0000 52245.5461 -109228.3748 300.2559 -161473.9209 -108860.7179 299.1838 -26.7255 -1.5417 762564.0194 1.0329 1.0257 PRESSURE: 4643400 -112.371 10.4135 -152.893 10.4125 -395.022 68.4221 -152.893 68.4226 22.4902 GPRESSURE: 4643400 -166.159 -4.74303 -100.912 -19.5594 -314.585 108.11 -217.305 53.057 87.2851 PRESSAVG: 4643400 30.8324 -79.3349 -5.09292 -79.335 -62.8881 31.853 -5.093 31.853 1.02018 GPRESSAVG: 4643400 31.4926 -80.5862 -5.28931 -78.4061 -62.4386 28.7516 -6.03168 31.7378 0.442354 TIMING: 4643400 CPU: 14682.4, 0.00320928/step Wall: 14682.4, 0.00320928/step, 0.317897 hours remaining, 235.617188 MB of memory in use. ENERGY: 4643400 4081.9850 20527.3555 14477.1704 240.6046 -202862.6898 2395.6164 0.0000 0.0000 52002.4958 -109137.4620 298.8591 -161139.9578 -108776.3808 298.8320 -161.6341 -131.1529 763739.7149 -10.3452 -10.1679 PRESSURE: 4643600 -12.7255 -71.3634 179.159 -71.3635 -528.213 -105.576 179.158 -105.576 46.448 GPRESSURE: 4643600 -17.476 -36.4928 147.49 -87.8666 -472.1 -94.3148 179.841 3.10306 49.9473 PRESSAVG: 4643600 64.0989 10.8598 32.507 10.8598 -18.4579 -0.666326 32.507 -0.666282 -18.4118 GPRESSAVG: 4643600 64.2049 11.837 33.1289 10.3235 -18.5469 0.45971 31.9478 1.64433 -19.0492 TIMING: 4643600 CPU: 14683, 0.00319392/step Wall: 14683, 0.00319392/step, 0.316198 hours remaining, 235.617188 MB of memory in use. ENERGY: 4643600 4049.6676 20533.1747 14516.2250 249.6340 -202560.7788 2516.3564 0.0000 0.0000 51855.0026 -108840.7185 298.0114 -160695.7211 -108493.6167 299.3656 -164.8301 -146.5430 763550.4249 9.0764 8.8696 PRESSURE: 4643800 -433.816 10.3225 -29.846 10.3224 234.065 285.223 -29.8456 285.222 -239.062 GPRESSURE: 4643800 -443.071 -77.6962 -10.0859 48.0026 235.756 304.721 -128.336 52.1853 -174.844 PRESSAVG: 4643800 24.6619 -39.6755 -25.5684 -39.6755 -40.819 16.1398 -25.5684 16.1398 -17.5131 GPRESSAVG: 4643800 24.6912 -37.8673 -25.5118 -42.2016 -41.1909 16.2037 -27.0582 13.3067 -17.0487 TIMING: 4643800 CPU: 14683.6, 0.00315115/step Wall: 14683.6, 0.00315115/step, 0.311789 hours remaining, 235.617188 MB of memory in use. ENERGY: 4643800 3979.3443 20520.7424 14505.2049 267.4512 -202639.8682 2432.8544 0.0000 0.0000 52198.7658 -108735.5052 299.9870 -160934.2710 -108377.3919 299.8686 -146.2712 -127.3864 762837.9216 -11.2234 -11.1828 PRESSURE: 4644000 304.642 -21.5457 -174.273 -21.5453 -97.8038 -125.405 -174.274 -125.405 270.483 GPRESSURE: 4644000 297.997 -28.8607 -151.009 47.807 -53.4848 -65.1644 -81.8169 -51.1828 316.769 PRESSAVG: 4644000 66.557 16.0632 -35.0509 16.0633 -26.1522 -15.6816 -35.051 -15.6817 5.87548 GPRESSAVG: 4644000 64.6686 15.6882 -36.0552 18.1329 -25.1427 -15.3982 -31.9348 -16.8205 6.45842 TIMING: 4644000 CPU: 14684.3, 0.00317675/step Wall: 14684.3, 0.00317675/step, 0.314145 hours remaining, 235.617188 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: 4644000 3937.6493 20571.3918 14521.9258 220.1484 -202812.0564 2557.3224 0.0000 0.0000 52118.7518 -108884.8669 299.5272 -161003.6188 -108525.4554 300.4137 159.1071 187.0938 763526.9485 15.4268 15.3281 PRESSURE: 4644200 48.3347 1.07378 266.847 1.07304 -324.675 -57.1577 266.847 -57.1584 -16.9677 GPRESSURE: 4644200 85.4932 18.7234 307.535 -12.2362 -215.828 -65.8375 131.508 -96.6119 -56.5518 PRESSAVG: 4644200 22.5371 -29.3693 -29.0694 -29.3693 2.12842 -41.8175 -29.0695 -41.8175 16.3865 GPRESSAVG: 4644200 23.3491 -32.7664 -26.59 -26.5665 2.51999 -42.0432 -30.9912 -39.2641 16.0229 TIMING: 4644200 CPU: 14684.9, 0.00316399/step Wall: 14684.9, 0.00316399/step, 0.312707 hours remaining, 235.617188 MB of memory in use. ENERGY: 4644200 3902.3321 20593.9242 14545.4335 227.2426 -203096.7815 2663.2166 0.0000 0.0000 52231.1479 -108933.4846 300.1731 -161164.6325 -108568.2561 300.2270 -97.7694 -62.2955 762461.5673 13.6840 13.9640 LDB: ============= START OF LOAD BALANCING ============== 14697.5 LDB: ============== END OF LOAD BALANCING =============== 14697.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14697.5 LDB: ============= START OF LOAD BALANCING ============== 14697.8 LDB: Largest compute 7026 load 0.034680 is 17.7% of average load 0.195517 LDB: Average compute 0.004409 is 2.3% of average load 0.195517 LDB: TIME 14697.8 LOAD: AVG 0.195517 MAX 0.213913 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.996 MB LDB: TIME 14697.8 LOAD: AVG 0.195517 MAX 0.213913 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: TIME 14697.8 LOAD: AVG 0.195517 MAX 0.213913 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.203 MB LDB: ============== END OF LOAD BALANCING =============== 14697.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14697.8 PRESSURE: 4644400 424.056 125.871 32.3587 125.871 93.3146 127.841 32.3586 127.841 145.775 GPRESSURE: 4644400 382.381 203.459 37.9318 91.8984 165.069 74.9862 10.607 99.7933 185.508 PRESSAVG: 4644400 31.9652 13.5734 1.07128 13.5734 1.26641 39.1689 1.0713 39.1689 -25.2579 GPRESSAVG: 4644400 31.2046 14.3891 -1.18954 10.9342 2.70727 40.9135 2.84855 37.598 -25.5611 TIMING: 4644400 CPU: 14685.6, 0.00321903/step Wall: 14685.6, 0.00321903/step, 0.317968 hours remaining, 235.503906 MB of memory in use. ENERGY: 4644400 3991.9569 20656.3502 14498.8708 238.3918 -203117.5853 2884.1393 0.0000 0.0000 51964.1661 -108883.7103 298.6388 -160847.8763 -108534.4228 300.3748 221.0484 244.3194 762727.6488 2.6579 2.7836 PRESSURE: 4644600 45.7817 61.024 -173.952 61.0248 -204.145 327.549 -173.953 327.549 -205.147 GPRESSURE: 4644600 121.704 -50.9429 -165.256 2.39921 -205.503 300.662 -115.558 321.206 -175.264 PRESSAVG: 4644600 12.4825 18.8956 -17.0794 18.8956 -51.3719 -26.6407 -17.0794 -26.6406 3.66511 GPRESSAVG: 4644600 14.446 18.2829 -16.9369 18.5193 -54.0034 -28.5783 -16.9031 -25.5408 4.33385 TIMING: 4644600 CPU: 14686.2, 0.00316525/step Wall: 14686.2, 0.00316525/step, 0.31248 hours remaining, 235.503906 MB of memory in use. ENERGY: 4644600 3968.7014 20458.2800 14517.5269 232.1943 -203026.7824 2644.7657 0.0000 0.0000 52381.4004 -108823.9137 301.0366 -161205.3142 -108445.6604 299.9889 -121.1702 -86.3544 763335.6273 -11.7414 -11.7412 PRESSURE: 4644800 59.5484 59.8814 51.5861 59.8814 -42.7016 -24.7269 51.5862 -24.7258 -40.2707 GPRESSURE: 4644800 153.286 86.2037 71.0104 -21.3303 -9.82874 -4.49432 50.0276 -29.7032 -88.1717 PRESSAVG: 4644800 6.65343 -62.8644 -79.2677 -62.8644 -17.9056 -2.6436 -79.2677 -2.64364 -1.20765 GPRESSAVG: 4644800 5.98086 -61.6078 -78.8521 -62.9744 -17.0676 -3.58802 -81.0204 -3.94324 -1.34439 TIMING: 4644800 CPU: 14686.8, 0.00318597/step Wall: 14686.8, 0.00318597/step, 0.314349 hours remaining, 235.503906 MB of memory in use. ENERGY: 4644800 4003.5948 20452.3475 14508.6734 259.3830 -203080.5572 2816.9277 0.0000 0.0000 52177.3164 -108862.3145 299.8638 -161039.6309 -108498.6036 299.8073 -7.8080 18.4284 763611.8039 -4.1533 -4.1437 PRESSURE: 4645000 -11.2891 -118.155 -110.995 -118.154 141.749 114.516 -110.995 114.516 -376.437 GPRESSURE: 4645000 -23.1443 -110.214 -121.411 -32.6351 140.101 134.511 -14.7462 183.127 -290.872 PRESSAVG: 4645000 -4.58497 -19.469 -11.5141 -19.469 35.4853 12.3016 -11.5141 12.3016 27.7916 GPRESSAVG: 4645000 -4.42002 -17.6967 -11.2842 -20.1108 35.9572 14.5312 -10.3475 13.9826 27.5215 TIMING: 4645000 CPU: 14687.5, 0.00316284/step Wall: 14687.5, 0.00316284/step, 0.311891 hours remaining, 235.839844 MB of memory in use. ENERGY: 4645000 3920.9316 20577.1240 14446.1945 258.3217 -202986.3416 2640.8590 0.0000 0.0000 52101.0588 -109041.8519 299.4255 -161142.9107 -108669.5312 299.7654 -81.9922 -57.9716 764370.4766 19.5640 19.6862 PRESSURE: 4645200 502.091 280.285 -106.204 280.284 -7.02481 67.8852 -106.205 67.8852 233.705 GPRESSURE: 4645200 438.306 277.63 -119.745 190.431 59.4291 -15.3502 -129.098 122.616 312 PRESSAVG: 4645200 38.4303 -33.5264 -34.1348 -33.5264 -15.5373 36.4663 -34.1348 36.4663 5.16634 GPRESSAVG: 4645200 38.7537 -34.2857 -35.3838 -31.854 -15.3134 36.2852 -34.7788 34.7785 4.51617 TIMING: 4645200 CPU: 14688.1, 0.00315162/step Wall: 14688.1, 0.00315162/step, 0.31061 hours remaining, 235.839844 MB of memory in use. ENERGY: 4645200 3923.8869 20385.7915 14498.2196 262.4450 -202981.7474 2751.2116 0.0000 0.0000 52020.0683 -109140.1246 298.9600 -161160.1929 -108779.8804 299.3114 242.9237 269.9118 762875.4624 9.3531 9.3188 PRESSURE: 4645400 -13.4267 -163.55 -85.2288 -163.549 -171.828 22.3282 -85.2293 22.3286 -107.2 GPRESSURE: 4645400 -39.6183 -106.223 -55.3408 -105.875 -155.412 18.4511 -101.053 97.714 -39.0344 PRESSAVG: 4645400 -12.5849 -33.0356 -29.8284 -33.0356 6.98993 47.4026 -29.8285 47.4025 -27.3717 GPRESSAVG: 4645400 -14.0269 -32.1552 -29.4673 -33.2773 7.50786 45.5067 -29.9088 50.3386 -26.0421 TIMING: 4645400 CPU: 14688.7, 0.00314518/step Wall: 14688.7, 0.00314518/step, 0.3098 hours remaining, 235.839844 MB of memory in use. ENERGY: 4645400 3913.3695 20646.1368 14456.7124 237.3869 -202890.9550 2522.4575 0.0000 0.0000 52072.6270 -109042.2649 299.2621 -161114.8919 -108676.0181 299.4035 -97.4849 -78.0215 762848.0497 -10.9889 -10.8537 PRESSURE: 4645600 130.709 47.9568 -111.364 47.9577 -147.879 -80.8116 -111.364 -80.8108 -87.4309 GPRESSURE: 4645600 149.026 65.9113 -5.97194 -63.7354 -134.111 -127.569 -148.314 -209.266 -18.2238 PRESSAVG: 4645600 34.7081 -43.9121 -27.7855 -43.912 2.41871 -7.48161 -27.7854 -7.48169 20.8053 GPRESSAVG: 4645600 35.6672 -45.4807 -26.7178 -44.0261 1.86855 -6.69251 -26.888 -9.39846 20.19 TIMING: 4645600 CPU: 14689.4, 0.0031584/step Wall: 14689.4, 0.0031584/step, 0.310927 hours remaining, 235.906250 MB of memory in use. ENERGY: 4645600 4010.2724 20569.9667 14430.8759 235.9222 -203416.7947 2922.3466 0.0000 0.0000 52216.4083 -109031.0027 300.0884 -161247.4109 -108674.5133 299.6226 -34.8669 -1.1028 763428.2320 19.3107 19.2419 PRESSURE: 4645800 -167.187 -46.2092 -61.5913 -46.2102 -428.433 -210.581 -61.5909 -210.58 -81.2392 GPRESSURE: 4645800 -177.296 -12.9443 -184.407 -76.4651 -334.834 -143.363 -205.916 -209.105 -59.9828 PRESSAVG: 4645800 30.8679 -49.3398 67.2034 -49.3398 -66.469 6.30903 67.2034 6.30914 4.89623 GPRESSAVG: 4645800 30.8392 -47.9507 66.5868 -49.2674 -66.4385 6.94974 66.318 5.60329 4.68184 TIMING: 4645800 CPU: 14690, 0.00316355/step Wall: 14690, 0.00316355/step, 0.311259 hours remaining, 235.906250 MB of memory in use. ENERGY: 4645800 3988.1898 20616.3523 14479.1382 251.5493 -203229.4859 2667.1687 0.0000 0.0000 52151.0617 -109076.0258 299.7129 -161227.0875 -108712.4771 299.9707 -225.6198 -190.7041 762220.3192 -10.2349 -10.3058 PRESSURE: 4646000 366.786 -51.812 -143.64 -51.8128 351.681 14.2107 -143.64 14.2098 -73.1262 GPRESSURE: 4646000 502.225 12.26 -268.526 -115.082 306.341 111.112 1.99136 46.7807 -93.2617 PRESSAVG: 4646000 51.6434 -32.2629 -29.8109 -32.2629 -38.0211 -6.22845 -29.8109 -6.22851 12.3242 GPRESSAVG: 4646000 52.7363 -31.6747 -30.254 -32.4867 -39.8515 -4.93108 -30.4126 -7.85756 12.9997 TIMING: 4646000 CPU: 14690.6, 0.00314935/step Wall: 14690.6, 0.00314935/step, 0.309687 hours remaining, 235.906250 MB of memory 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 3943.6383 20531.7814 14439.7967 247.9652 -203803.0076 3087.0854 0.0000 0.0000 52286.7928 -109265.9477 300.4929 -161552.7406 -108900.5484 299.7565 215.1135 238.4348 760092.8838 8.6489 8.6281 PRESSURE: 4646200 205.222 -130.291 36.4576 -130.291 -97.6728 -28.1868 36.4577 -28.1872 -40.0865 GPRESSURE: 4646200 136.279 -190.22 56.1015 -90.9919 4.684 -1.81323 18.5004 -7.86797 6.63847 PRESSAVG: 4646200 20.9451 -51.2985 10.6944 -51.2985 -22.3742 41.8087 10.6944 41.8088 6.05378 GPRESSAVG: 4646200 19.8486 -52.5191 12.1417 -50.851 -20.7758 40.4989 12.5844 44.5412 5.58441 TIMING: 4646200 CPU: 14691.2, 0.00314287/step Wall: 14691.2, 0.00314287/step, 0.308874 hours remaining, 235.906250 MB of memory in use. ENERGY: 4646200 3955.9227 20611.4824 14521.4262 237.3848 -203445.8190 2881.2817 0.0000 0.0000 51948.8083 -109289.5129 298.5505 -161238.3212 -108918.8024 299.2174 22.4875 49.2005 761448.4550 1.5416 1.5524 PRESSURE: 4646400 -40.7664 -65.447 -53.789 -65.4474 217.219 174.213 -53.7888 174.214 14.1535 GPRESSURE: 4646400 84.1886 -145.545 16.0298 -38.3275 144.211 129.478 -85.4496 132.224 59.8648 PRESSAVG: 4646400 7.71705 -25.9065 -7.03933 -25.9065 -13.6402 23.9947 -7.03929 23.9947 -6.49219 GPRESSAVG: 4646400 8.87909 -25.9192 -7.52038 -25.6254 -14.6835 22.8139 -9.0947 23.2157 -6.86472 TIMING: 4646400 CPU: 14691.9, 0.00316563/step Wall: 14691.9, 0.00316563/step, 0.310935 hours remaining, 235.906250 MB of memory in use. ENERGY: 4646400 4015.0420 20575.1496 14471.3018 236.9521 -203131.6916 2732.4400 0.0000 0.0000 51942.0438 -109158.7624 298.5116 -161100.8062 -108794.1792 298.8052 63.5354 96.0881 761841.5402 -4.1384 -4.2230 PRESSURE: 4646600 436.131 91.3202 -93.8831 91.3201 60.047 -124.847 -93.8838 -124.847 -19.7329 GPRESSURE: 4646600 424.784 130.335 -83.2704 154.198 99.0433 -124.753 -102.301 6.72109 36.4317 PRESSAVG: 4646600 -12.4056 -24.5435 -0.224462 -24.5435 27.0674 -23.7891 -0.22448 -23.7891 -10.417 GPRESSAVG: 4646600 -12.1709 -21.5102 -1.5327 -25.7729 26.3058 -24.069 0.366138 -23.0559 -10.2202 TIMING: 4646600 CPU: 14692.5, 0.0031514/step Wall: 14692.5, 0.0031514/step, 0.309362 hours remaining, 235.906250 MB of memory in use. ENERGY: 4646600 4003.4392 20735.6531 14466.3951 256.2383 -203172.5265 2848.8022 0.0000 0.0000 51970.6579 -108891.3406 298.6761 -160861.9986 -108547.5894 299.4213 158.8151 186.7530 760747.5677 1.4150 1.3049 PRESSURE: 4646800 387.607 -19.9807 -75.9835 -19.981 -485.032 -286.128 -75.9833 -286.128 -144.645 GPRESSURE: 4646800 387.121 -9.96582 -42.7211 -35.0223 -318.438 -344.727 -116.07 -170.105 -204.929 PRESSAVG: 4646800 20.3507 -53.0127 15.1318 -53.0127 -22.0835 -12.3464 15.1318 -12.3464 12.8235 GPRESSAVG: 4646800 19.2942 -55.4647 16.6443 -52.4961 -19.6926 -10.9094 14.8771 -12.0944 11.8153 TIMING: 4646800 CPU: 14693.1, 0.00316241/step Wall: 14693.1, 0.00316241/step, 0.310268 hours remaining, 235.906250 MB of memory in use. ENERGY: 4646800 3970.1263 20558.9223 14465.7587 257.2109 -203303.1482 2859.6397 0.0000 0.0000 52083.9548 -109107.5354 299.3272 -161191.4903 -108740.0075 299.4297 -80.6900 -45.4153 762027.9220 3.6969 3.8056 PRESSURE: 4647000 157.829 180.847 112.603 180.848 -224.256 182.38 112.603 182.381 559.267 GPRESSURE: 4647000 107.934 34.3373 86.1267 119.187 -128.311 180.84 -96.121 241.654 614.752 PRESSAVG: 4647000 1.67429 -26.2052 2.05989 -26.2052 -8.32465 -17.9971 2.0599 -17.9971 0.950127 GPRESSAVG: 4647000 2.66938 -25.9027 1.13825 -25.5999 -9.36131 -19.2331 0.608927 -17.7735 0.940161 TIMING: 4647000 CPU: 14693.8, 0.00316289/step Wall: 14693.8, 0.00316289/step, 0.310139 hours remaining, 235.906250 MB of memory in use. ENERGY: 4647000 3944.0109 20586.4283 14540.4960 259.4801 -203180.6090 2626.2705 0.0000 0.0000 51976.1366 -109247.7867 298.7076 -161223.9232 -108880.2552 299.5564 164.2797 198.1250 762002.8367 -1.9001 -1.9173 PRESSURE: 4647200 417.023 -96.2117 114.311 -96.2111 167.552 -154.687 114.311 -154.687 303.692 GPRESSURE: 4647200 476.416 -186.538 91.0234 -105.705 224.665 -196.626 122.342 -44.525 284.827 PRESSAVG: 4647200 -20.5938 -4.38127 -16.4881 -4.38127 -22.9363 14.4713 -16.488 14.4712 -8.79408 GPRESSAVG: 4647200 -20.5525 -7.53358 -17.0862 -0.502861 -22.9407 16.4041 -13.8324 14.2319 -9.08676 TIMING: 4647200 CPU: 14694.4, 0.00317196/step Wall: 14694.4, 0.00317196/step, 0.310852 hours remaining, 235.906250 MB of memory in use. ENERGY: 4647200 3935.6107 20481.6213 14515.7446 253.6651 -203296.0943 2648.7262 0.0000 0.0000 51980.5823 -109480.1441 298.7331 -161460.7265 -109115.0726 298.6800 296.0891 328.6360 763357.1897 -17.4414 -17.5267 PRESSURE: 4647400 -389.282 68.1914 -235.422 68.1906 337.249 -142.605 -235.422 -142.605 549.666 GPRESSURE: 4647400 -296.721 75.6083 -188.095 121.42 436.473 -93.4175 -243.788 -52.3164 447.738 PRESSAVG: 4647400 14.4718 -36.4203 -68.6796 -36.4203 3.2908 8.93308 -68.6795 8.933 -16.8705 GPRESSAVG: 4647400 13.3522 -34.6754 -68.0162 -40.9273 3.64879 7.87672 -66.6557 10.1189 -16.0294 TIMING: 4647400 CPU: 14695, 0.0031817/step Wall: 14695, 0.0031817/step, 0.31163 hours remaining, 235.906250 MB of memory in use. ENERGY: 4647400 3973.0040 20615.8906 14507.5941 241.0571 -203354.7136 2554.0619 0.0000 0.0000 52137.8291 -109325.2767 299.6368 -161463.1059 -108954.4296 298.7635 165.8774 195.8301 762285.0100 0.2974 0.3239 PRESSURE: 4647600 489.724 -185.239 -108.009 -185.239 -131.024 -55.9593 -108.009 -55.9597 341.846 GPRESSURE: 4647600 466.95 -109.557 -164.393 -54.4706 -40.1846 -66.481 129.769 -89.8247 359.663 PRESSAVG: 4647600 9.36735 23.7872 -57.6853 23.7871 22.4235 -28.2709 -57.6853 -28.271 -11.4586 GPRESSAVG: 4647600 8.50688 25.441 -57.9174 24.7002 23.5186 -28.4773 -57.6503 -31.1308 -11.6776 TIMING: 4647600 CPU: 14695.7, 0.00315473/step Wall: 14695.7, 0.00315473/step, 0.308813 hours remaining, 235.906250 MB of memory in use. ENERGY: 4647600 3884.2610 20553.8653 14515.6445 248.1745 -203160.0029 2766.5546 0.0000 0.0000 51947.3452 -109244.1579 298.5421 -161191.5031 -108881.3074 298.9958 233.5152 262.1428 762646.6761 6.7774 6.7826 PRESSURE: 4647800 -192.861 164.569 248.301 164.57 0.982331 -114.173 248.301 -114.173 -223.666 GPRESSURE: 4647800 -161.862 161.239 183.139 147.43 49.9697 -227.82 181.39 -39.5318 -220.765 PRESSAVG: 4647800 -12.0226 41.8689 22.6449 41.8688 5.32033 -48.5506 22.6449 -48.5506 -24.3077 GPRESSAVG: 4647800 -10.7574 41.2213 21.886 41.6526 5.01451 -48.2868 21.2944 -46.1456 -25.2199 TIMING: 4647800 CPU: 14696.3, 0.00316384/step Wall: 14696.3, 0.00316384/step, 0.309529 hours remaining, 235.906250 MB of memory in use. ENERGY: 4647800 3990.2403 20699.2870 14414.1659 246.2373 -203060.9885 2515.9387 0.0000 0.0000 52232.7575 -108962.3619 300.1824 -161195.1194 -108607.8528 299.5432 -138.5150 -110.8857 763903.4987 -10.3367 -10.3209 PRESSURE: 4648000 -132.884 6.10108 27.5891 6.10105 -208.638 -163.43 27.5892 -163.429 -88.0257 GPRESSURE: 4648000 -130.85 -24.4922 95.7818 28.8259 -191.33 -162.619 144.635 -163.752 -38.6796 PRESSAVG: 4648000 -18.4838 -7.50126 22.024 -7.50122 -40.5203 -4.24412 22.0239 -4.24408 17.6038 GPRESSAVG: 4648000 -18.3573 -7.95169 22.3806 -8.62907 -41.4742 -4.11901 20.3898 -5.71367 18.61 TIMING: 4648000 CPU: 14696.9, 0.00317451/step Wall: 14696.9, 0.00317451/step, 0.310397 hours remaining, 235.906250 MB of memory 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 4024.9384 20773.7161 14428.2710 238.4610 -203332.8857 2580.0713 0.0000 0.0000 52271.7697 -109015.6582 300.4066 -161287.4279 -108667.0709 299.6927 -143.1825 -120.2864 763848.6697 -13.8001 -13.7405 PRESSURE: 4648200 143.258 -38.9679 60.3169 -38.9683 27.1094 -1.27928 60.317 -1.27932 61.1765 GPRESSURE: 4648200 191.889 -37.7702 80.4637 -127.157 55.7249 -69.9126 158.007 20.2564 46.248 PRESSAVG: 4648200 31.1631 -16.5745 -46.521 -16.5745 -25.665 -14.3236 -46.521 -14.3236 -8.76926 GPRESSAVG: 4648200 30.7107 -15.9367 -45.1943 -16.5485 -25.9951 -14.7906 -46.6196 -13.1426 -8.14393 TIMING: 4648200 CPU: 14697.6, 0.00316793/step Wall: 14697.6, 0.00316793/step, 0.309577 hours remaining, 235.906250 MB of memory in use. ENERGY: 4648200 3966.9776 20555.9820 14456.2606 251.7380 -203624.4889 3205.1709 0.0000 0.0000 52079.9505 -109108.4093 299.3042 -161188.3598 -108746.5568 299.5949 77.1811 97.9539 763558.0371 -1.0904 -1.1428 LDB: ============= START OF LOAD BALANCING ============== 14710.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14710.1 LDB: =============== DONE WITH MIGRATION ================ 14710.1 LDB: ============= START OF LOAD BALANCING ============== 14710.4 LDB: Largest compute 7077 load 0.033674 is 17.2% of average load 0.195552 LDB: Average compute 0.004393 is 2.2% of average load 0.195552 LDB: TIME 14710.4 LOAD: AVG 0.195552 MAX 0.217777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.691 MB LDB: TIME 14710.4 LOAD: AVG 0.195552 MAX 0.217777 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: TIME 14710.4 LOAD: AVG 0.195552 MAX 0.217777 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.93 MB LDB: ============== END OF LOAD BALANCING =============== 14710.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14710.4 PRESSURE: 4648400 455.521 -149.436 32.9934 -149.436 28.7827 301.169 32.9925 301.168 152.969 GPRESSURE: 4648400 390.33 -81.2922 34.5145 -129.627 173.564 278.584 67.5835 271.195 150.996 PRESSAVG: 4648400 -21.4563 -22.4878 -28.837 -22.4878 18.3105 31.3025 -28.837 31.3025 14.5617 GPRESSAVG: 4648400 -21.5489 -22.8511 -29.7405 -21.5814 18.5035 30.0594 -27.9963 30.2031 14.3747 TIMING: 4648400 CPU: 14698.2, 0.00322491/step Wall: 14698.2, 0.00322491/step, 0.314966 hours remaining, 235.285156 MB of memory in use. ENERGY: 4648400 4001.0037 20679.4496 14373.5867 250.6307 -203391.8531 2934.9365 0.0000 0.0000 51965.0620 -109187.1838 298.6439 -161152.2458 -108829.0665 299.4477 212.4242 238.2967 762892.8929 3.8053 3.7764 PRESSURE: 4648600 -667.459 -153.133 -138.335 -153.134 -363.952 -32.6681 -138.335 -32.6682 -136.479 GPRESSURE: 4648600 -490.618 -200.186 -133.878 -270.935 -427.526 -46.2055 -150.56 58.9453 -167.24 PRESSAVG: 4648600 44.5971 -51.3736 3.0795 -51.3736 -44.1313 8.53714 3.07948 8.53714 -9.03876 GPRESSAVG: 4648600 44.7584 -51.3876 3.20921 -52.2177 -43.8434 10.9814 3.95394 9.34064 -9.22694 TIMING: 4648600 CPU: 14698.9, 0.00316839/step Wall: 14698.9, 0.00316839/step, 0.30927 hours remaining, 235.730469 MB of memory in use. ENERGY: 4648600 3962.3813 20731.3673 14445.8166 245.4099 -203195.0275 2397.2718 0.0000 0.0000 52059.1842 -109353.5965 299.1848 -161412.7807 -108995.7518 299.0474 -389.2969 -361.7949 762765.3227 -2.8577 -2.7707 PRESSURE: 4648800 161.415 -47.8546 -328.228 -47.8545 369.861 123.445 -328.228 123.445 411.237 GPRESSURE: 4648800 245.772 -48.7369 -221.482 -59.8539 336.548 192.116 -332.264 122.258 438.769 PRESSAVG: 4648800 -9.62402 -24.4402 -42.8507 -24.4402 19.2308 -23.1428 -42.8508 -23.1428 5.56522 GPRESSAVG: 4648800 -9.82037 -22.0564 -42.4329 -24.7864 19.0431 -24.0221 -43.2096 -24.0821 5.47335 TIMING: 4648800 CPU: 14699.5, 0.00317061/step Wall: 14699.5, 0.00317061/step, 0.309311 hours remaining, 235.730469 MB of memory in use. ENERGY: 4648800 3986.8051 20614.8615 14397.3910 238.9295 -203275.5951 2765.7643 0.0000 0.0000 52311.5289 -108960.3148 300.6351 -161271.8438 -108596.5153 299.9603 314.1709 340.3629 761902.5466 5.0573 4.8987 PRESSURE: 4649000 -117.157 -184.022 -128.364 -184.023 -23.0055 99.9799 -128.365 99.9796 -155.002 GPRESSURE: 4649000 -72.4988 -134.079 -156.762 -99.313 68.3886 33.1081 -276.85 144.902 -207.57 PRESSAVG: 4649000 37.7829 -38.6713 -64.6439 -38.6713 -67.6615 4.4448 -64.644 4.44485 -7.64981 GPRESSAVG: 4649000 37.2446 -41.8217 -64.4996 -37.3817 -66.8453 3.87657 -65.7609 3.81007 -7.29863 TIMING: 4649000 CPU: 14700.1, 0.0031875/step Wall: 14700.1, 0.0031875/step, 0.310782 hours remaining, 235.730469 MB of memory in use. ENERGY: 4649000 4016.1401 20589.4625 14455.2477 234.8883 -202888.2196 2548.2693 0.0000 0.0000 52146.4794 -108897.7324 299.6865 -161044.2117 -108534.0337 300.4632 -98.3882 -70.5600 763093.1744 -12.5095 -12.2998 PRESSURE: 4649200 -26.2774 -65.3493 114.43 -65.3488 -329.634 -196.156 114.431 -196.154 -24.4753 GPRESSURE: 4649200 -43.2527 -3.16134 202.094 -23.2525 -246.685 -164.942 82.6906 -216.448 -8.80907 PRESSAVG: 4649200 0.659395 -32.8605 -75.645 -32.8605 10.1397 -43.1575 -75.645 -43.1575 -14.2831 GPRESSAVG: 4649200 0.897685 -33.8715 -76.5387 -30.2435 9.64799 -42.7514 -74.73 -42.4358 -14.3594 TIMING: 4649200 CPU: 14700.8, 0.00319476/step Wall: 14700.8, 0.00319476/step, 0.311311 hours remaining, 235.730469 MB of memory in use. ENERGY: 4649200 4005.6534 20474.1093 14445.8803 220.9622 -203023.0668 2538.0738 0.0000 0.0000 52365.3029 -108973.0849 300.9441 -161338.3877 -108607.6221 300.6338 -126.7956 -99.5824 761419.4642 -1.1613 -1.2712 PRESSURE: 4649400 -91.5923 -70.3389 208.624 -70.3383 31.6505 7.79589 208.623 7.79671 -393.549 GPRESSURE: 4649400 -82.8901 85.8587 219.151 -135.665 47.2012 -108.964 223.748 6.53932 -341.629 PRESSAVG: 4649400 -21.757 -17.1271 -10.561 -17.1271 1.14581 15.2461 -10.561 15.2461 -8.10409 GPRESSAVG: 4649400 -21.6847 -17.6253 -8.96484 -18.2614 0.584033 15.0046 -11.4928 16.4247 -7.92044 TIMING: 4649400 CPU: 14701.4, 0.00315667/step Wall: 14701.4, 0.00315667/step, 0.307424 hours remaining, 235.730469 MB of memory in use. ENERGY: 4649400 3961.2132 20700.7984 14480.5641 249.8701 -202759.5303 2484.8578 0.0000 0.0000 52112.5383 -108769.6884 299.4915 -160882.2267 -108415.9635 299.7708 -151.1637 -125.7726 763529.2189 -9.5717 -9.6737 PRESSURE: 4649600 75.1137 -163.374 -41.4025 -163.373 -91.1069 -4.09695 -41.4004 -4.09808 27.9596 GPRESSURE: 4649600 116.523 -159.829 -133.462 -96.977 -66.2467 7.38324 -27.551 90.4602 57.804 PRESSAVG: 4649600 -53.6704 -18.1581 -14.9689 -18.1581 34.4696 21.9823 -14.9689 21.9824 -14.7207 GPRESSAVG: 4649600 -53.3112 -16.4473 -17.1193 -18.7977 35.2099 22.5758 -14.1376 20.4204 -15.3266 TIMING: 4649600 CPU: 14702, 0.00315141/step Wall: 14702, 0.00315141/step, 0.306737 hours remaining, 235.730469 MB of memory in use. ENERGY: 4649600 3946.6136 20576.4539 14501.9305 242.2567 -202945.3674 2589.1383 0.0000 0.0000 52147.2637 -108941.7107 299.6910 -161088.9743 -108588.8044 299.8961 3.9888 36.0268 761669.4949 -11.3072 -11.1426 PRESSURE: 4649800 145.357 32.4859 -14.2456 32.4862 -117.236 -122.703 -14.2455 -122.703 334.689 GPRESSURE: 4649800 169.883 4.71489 19.0323 -5.98235 -51.6455 -36.6544 -11.7051 -177.189 329.972 PRESSAVG: 4649800 -15.1338 -49.2659 -48.1514 -49.2659 28.1275 -8.85185 -48.1514 -8.85192 -50.16 GPRESSAVG: 4649800 -15.2469 -50.3411 -46.3417 -48.7988 27.9786 -9.12245 -48.9592 -6.84904 -50.0455 TIMING: 4649800 CPU: 14702.7, 0.00315463/step Wall: 14702.7, 0.00315463/step, 0.306875 hours remaining, 235.730469 MB of memory in use. ENERGY: 4649800 3947.9692 20662.8355 14449.0667 251.0212 -202890.0584 2622.2526 0.0000 0.0000 52151.7198 -108805.1935 299.7167 -160956.9132 -108449.3999 300.1380 120.9367 149.4032 762405.1219 -12.3887 -12.4379 PRESSURE: 4650000 -393.521 -199.254 -59.7195 -199.253 -143.276 -428.94 -59.7199 -428.938 23.634 GPRESSURE: 4650000 -334.569 -273.426 -162.975 -113.481 -132.731 -431.065 41.1342 -462.352 31.5488 PRESSAVG: 4650000 -25.2211 -17.3509 -20.4091 -17.3509 -5.10507 -24.3514 -20.409 -24.3513 20.6076 GPRESSAVG: 4650000 -26.3858 -16.241 -22.4845 -17.4426 -3.47755 -23.3807 -20.1724 -25.8732 20.8383 TIMING: 4650000 CPU: 14703.3, 0.0031947/step Wall: 14703.3, 0.0031947/step, 0.310595 hours remaining, 235.730469 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: 4650000 3999.8313 20773.3222 14495.1170 245.1348 -203000.8740 2512.9166 0.0000 0.0000 52252.2571 -108722.2950 300.2944 -160974.5520 -108365.7021 300.6282 -171.0543 -145.2504 763572.2306 -3.2395 -3.0083 PRESSURE: 4650200 -239.344 -66.0715 -110.069 -66.0714 103.891 128.66 -110.07 128.659 -215.473 GPRESSURE: 4650200 -176.031 -12.3375 -63.5767 4.60512 15.4383 149.635 -147.158 -0.326368 -116.572 PRESSAVG: 4650200 -10.5197 6.57551 -3.53321 6.57549 11.3955 -30.8415 -3.5333 -30.8415 34.7454 GPRESSAVG: 4650200 -9.45726 5.19803 -2.37171 4.57397 10.2787 -29.9357 -1.32742 -32.7013 34.2919 TIMING: 4650200 CPU: 14703.9, 0.00317956/step Wall: 14703.9, 0.00317956/step, 0.308947 hours remaining, 235.730469 MB of memory in use. ENERGY: 4650200 4010.6785 20798.3253 14446.1638 242.1558 -203145.3863 2612.5331 0.0000 0.0000 52424.5649 -108610.9649 301.2847 -161035.5298 -108242.6626 300.7430 -116.9752 -92.3883 763574.4095 11.8737 11.7044 PRESSURE: 4650400 -203.189 -24.8058 197.124 -24.8071 -209.253 -318.325 197.124 -318.326 -324.543 GPRESSURE: 4650400 -188.589 -70.5065 156.15 -0.381652 -204.26 -340.845 191.702 -220.961 -255.225 PRESSAVG: 4650400 14.7618 26.5873 5.2853 26.5874 37.3756 -95.9396 5.28535 -95.9396 -1.24873 GPRESSAVG: 4650400 14.3886 27.6353 3.42569 27.376 37.6024 -98.2876 4.03061 -92.0227 -1.00626 TIMING: 4650400 CPU: 14704.6, 0.00318008/step Wall: 14704.6, 0.00318008/step, 0.308821 hours remaining, 235.839844 MB of memory in use. ENERGY: 4650400 4065.5804 20680.1670 14542.7314 267.5793 -203325.6370 2716.7772 0.0000 0.0000 52276.5651 -108776.2367 300.4341 -161052.8018 -108406.9684 300.8714 -245.6617 -216.0244 761681.5575 16.9629 16.9949 PRESSURE: 4650600 5.72233 -45.2668 174.185 -45.2667 6.95032 -48.9192 174.186 -48.9192 -385.896 GPRESSURE: 4650600 21.614 30.6165 208.071 -77.2541 -11.1508 -21.7793 167.8 -120.584 -303.645 PRESSAVG: 4650600 -40.2533 -15.7186 29.5763 -15.7186 -13.3173 -57.5657 29.5763 -57.5658 -17.4352 GPRESSAVG: 4650600 -37.9493 -14.4541 30.8607 -15.5315 -15.7309 -56.89 28.6172 -60.8416 -17.0828 TIMING: 4650600 CPU: 14705.2, 0.00316512/step Wall: 14705.2, 0.00316512/step, 0.307193 hours remaining, 235.839844 MB of memory in use. ENERGY: 4650600 4017.5198 20460.2563 14515.3917 236.8758 -202877.7835 2434.5391 0.0000 0.0000 52093.1805 -109120.0203 299.3802 -161213.2009 -108755.6463 300.0133 -124.4079 -97.7271 762328.0535 -23.6686 -23.5877 PRESSURE: 4650800 -303.279 31.9363 -261.658 31.9374 -47.6711 -172.398 -261.658 -172.397 518.798 GPRESSURE: 4650800 -225.07 -25.4869 -213.168 42.8236 -27.8824 -189.951 -314.634 -126.274 492.616 PRESSAVG: 4650800 -13.2577 -37.1965 -15.1317 -37.1965 71.1266 -21.4797 -15.1317 -21.4797 -5.12545 GPRESSAVG: 4650800 -14.6489 -39.9339 -15.3903 -34.2002 73.5963 -21.5999 -15.6536 -21.6133 -6.81351 TIMING: 4650800 CPU: 14705.8, 0.00315621/step Wall: 14705.8, 0.00315621/step, 0.306153 hours remaining, 235.839844 MB of memory in use. ENERGY: 4650800 4063.8457 20503.6883 14469.6272 237.4388 -203839.5173 3210.8243 0.0000 0.0000 52178.4147 -109175.6781 299.8701 -161354.0929 -108824.5757 299.8004 55.9494 79.8878 761579.9484 17.5812 17.3780 PRESSURE: 4651000 314.23 51.2681 35.18 51.2684 -19.2556 138.395 35.1794 138.395 234.306 GPRESSURE: 4651000 350.774 -89.1574 61.2724 140.344 53.2563 73.347 92.1284 108.579 190.012 PRESSAVG: 4651000 -65.4802 17.73 -36.5791 17.73 8.75399 -19.5534 -36.579 -19.5533 4.43913 GPRESSAVG: 4651000 -66.5637 19.3493 -36.6875 13.7013 8.62126 -21.5686 -36.1025 -16.8427 5.45327 TIMING: 4651000 CPU: 14706.5, 0.00315767/step Wall: 14706.5, 0.00315767/step, 0.306118 hours remaining, 235.839844 MB of memory in use. ENERGY: 4651000 3956.4039 20514.2902 14485.1398 248.4037 -203617.6304 3085.1019 0.0000 0.0000 51859.2036 -109469.0873 298.0356 -161328.2909 -109103.1116 299.5572 176.4268 198.0142 761780.3089 -17.4290 -17.4964 PRESSURE: 4651200 191.774 -124.996 173.214 -124.996 -70.2205 -79.8265 173.215 -79.8264 -135.355 GPRESSURE: 4651200 146.434 -131.585 150.109 -56.75 114.392 -139.849 177.428 -42.9041 -177.788 PRESSAVG: 4651200 -7.60491 -6.51339 -32.6633 -6.51338 13.2341 61.467 -32.6633 61.4671 11.0557 GPRESSAVG: 4651200 -7.69364 -6.94959 -32.7855 -3.8637 13.2645 61.5605 -32.9891 59.5531 10.9373 TIMING: 4651200 CPU: 14707.1, 0.00318312/step Wall: 14707.1, 0.00318312/step, 0.308409 hours remaining, 235.839844 MB of memory in use. ENERGY: 4651200 3920.8794 20704.4678 14427.3015 255.4729 -203419.7230 2763.3482 0.0000 0.0000 52210.6143 -109137.6389 300.0551 -161348.2532 -108766.4695 298.8668 -4.6006 27.6791 763589.4958 5.5616 5.5027 PRESSURE: 4651400 22.4378 19.0175 108.723 19.0177 -565.22 48.547 108.724 48.547 -384.506 GPRESSURE: 4651400 -39.8587 126.652 -15.3174 94.6552 -482.459 41.5787 171.176 186.133 -325.262 PRESSAVG: 4651400 -0.931228 45.6975 2.26028 45.6975 -28.0453 28.2332 2.26026 28.2332 -30.5817 GPRESSAVG: 4651400 -0.884434 46.2954 3.93475 44.7875 -28.8233 29.7168 1.19889 29.8891 -30.0491 TIMING: 4651400 CPU: 14707.7, 0.00317437/step Wall: 14707.7, 0.00317437/step, 0.307385 hours remaining, 235.839844 MB of memory in use. ENERGY: 4651400 4021.6638 20536.0801 14482.5286 261.0345 -203233.9495 2820.1704 0.0000 0.0000 51987.2502 -109125.2219 298.7714 -161112.4721 -108754.0908 299.7395 -309.0959 -282.5265 763851.5702 -19.8528 -19.9189 PRESSURE: 4651600 -431.427 -87.7977 -265.853 -87.7976 -202.766 67.6612 -265.854 67.6599 -355.35 GPRESSURE: 4651600 -371.723 -69.1201 -225.794 -221.31 -158.919 -47.8863 -244.761 11.4262 -374.688 PRESSAVG: 4651600 8.04002 -22.9764 -24.7384 -22.9764 -35.7714 -25.3136 -24.7384 -25.3136 3.34387 GPRESSAVG: 4651600 9.45449 -23.8719 -25.3821 -24.3162 -35.7234 -24.5969 -24.3895 -26.3714 1.81063 TIMING: 4651600 CPU: 14708.4, 0.00316871/step Wall: 14708.4, 0.00316871/step, 0.306661 hours remaining, 235.839844 MB of memory in use. ENERGY: 4651600 4015.4823 20537.4101 14450.4907 241.3936 -202956.3106 2340.8696 0.0000 0.0000 52290.1973 -109080.4670 300.5125 -161370.6642 -108715.7507 299.5263 -329.8477 -301.7769 762891.8904 -8.1292 -8.1528 PRESSURE: 4651800 -174.395 15.2422 -139.593 15.2431 -52.1696 -21.3525 -139.594 -21.3513 -315.326 GPRESSURE: 4651800 -180.21 0.00559323 -106.848 -7.0968 2.06723 22.9127 -42.8434 -44.7681 -253.196 PRESSAVG: 4651800 25.9312 11.5032 -33.2489 11.5033 -23.219 2.58609 -33.2489 2.58612 10.8469 GPRESSAVG: 4651800 25.3367 12.4724 -32.394 12.7672 -24.2546 2.336 -31.7115 2.22409 11.8555 TIMING: 4651800 CPU: 14709, 0.00316916/step Wall: 14709, 0.00316916/step, 0.306528 hours remaining, 235.839844 MB of memory in use. ENERGY: 4651800 4055.6667 20591.1751 14431.6923 256.8549 -202919.8127 2354.5187 0.0000 0.0000 52256.3203 -108973.5846 300.3178 -161229.9050 -108605.9630 299.7947 -180.6302 -143.7796 762622.7824 4.5197 4.3125 PRESSURE: 4652000 65.8765 74.1064 37.706 74.1072 -319.866 178.559 37.7057 178.558 113.092 GPRESSURE: 4652000 6.95378 98.9243 40.8995 65.9242 -164.996 123.632 -23.3279 234.138 103.479 PRESSAVG: 4652000 7.83276 21.6989 -41.8733 21.699 24.7762 -29.6531 -41.8733 -29.6531 -5.97195 GPRESSAVG: 4652000 6.76692 21.3393 -42.7217 22.1694 26.3616 -30.0833 -42.7515 -29.3847 -6.26879 TIMING: 4652000 CPU: 14709.6, 0.0031675/step Wall: 14709.6, 0.0031675/step, 0.306192 hours remaining, 235.839844 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: 4652000 3989.7683 20419.3055 14487.4272 227.4976 -202589.5978 2434.9512 0.0000 0.0000 52090.9898 -108939.6582 299.3676 -161030.6480 -108574.8109 299.6735 -46.9656 -18.1878 761660.7930 8.8790 8.9532 PRESSURE: 4652200 -94.5874 -197.843 124.616 -197.842 -222.837 -180.094 124.616 -180.093 182.747 GPRESSURE: 4652200 -26.0839 -185.76 108.332 -221.954 -168.741 -197.125 126.63 -42.6911 157.766 PRESSAVG: 4652200 -10.3697 14.5837 48.3539 14.5837 -42.3196 -53.3 48.3538 -53.2999 -12.2805 GPRESSAVG: 4652200 -10.2412 14.2047 47.3252 15.2259 -41.2336 -53.3415 50.3624 -54.9753 -13.5022 TIMING: 4652200 CPU: 14710.3, 0.00316521/step Wall: 14710.3, 0.00316521/step, 0.305795 hours remaining, 235.839844 MB of memory in use. ENERGY: 4652200 3954.5109 20630.5198 14520.9871 247.5352 -203018.9417 2644.6834 0.0000 0.0000 52138.9717 -108881.7336 299.6434 -161020.7052 -108527.1967 299.8074 -44.8924 -12.3529 762716.3705 -21.6566 -21.6590 LDB: ============= START OF LOAD BALANCING ============== 14722.8 LDB: ============== END OF LOAD BALANCING =============== 14722.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14722.8 LDB: ============= START OF LOAD BALANCING ============== 14723.1 LDB: Largest compute 7077 load 0.034302 is 17.5% of average load 0.195497 LDB: Average compute 0.004391 is 2.2% of average load 0.195497 LDB: TIME 14723.1 LOAD: AVG 0.195497 MAX 0.215911 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.445 MB LDB: TIME 14723.1 LOAD: AVG 0.195497 MAX 0.215911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.648 MB LDB: TIME 14723.1 LOAD: AVG 0.195497 MAX 0.215911 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.648 MB LDB: ============== END OF LOAD BALANCING =============== 14723.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14723.1 PRESSURE: 4652400 142.802 2.74642 263.64 2.74671 -235.18 -120.033 263.639 -120.033 -5.53637 GPRESSURE: 4652400 153.566 0.496575 282.372 24.1306 -203.914 -54.6962 261.819 -101.318 34.6954 PRESSAVG: 4652400 48.4132 -4.16227 -23.6226 -4.16228 -29.8336 11.703 -23.6226 11.703 -17.4638 GPRESSAVG: 4652400 48.502 -5.31193 -23.1681 -5.39601 -30.9616 11.8292 -25.9945 13.6298 -15.9813 TIMING: 4652400 CPU: 14710.9, 0.00324169/step Wall: 14710.9, 0.00324169/step, 0.313003 hours remaining, 235.335938 MB of memory in use. ENERGY: 4652400 3965.9751 20471.8708 14502.1375 246.2738 -203321.9700 2769.6872 0.0000 0.0000 52506.3184 -108859.7072 301.7545 -161366.0256 -108496.6139 300.5796 -32.6381 -5.2177 763066.8364 0.3719 0.5197 PRESSURE: 4652600 -247.435 181.585 -228.587 181.585 84.4575 -132.123 -228.587 -132.121 71.7715 GPRESSURE: 4652600 -272.193 146.572 -201.96 28.9126 151.166 -26.8105 -281.167 -119.259 95.8196 PRESSAVG: 4652600 45.7822 5.13069 28.1019 5.13068 -30.4189 -61.613 28.1018 -61.6131 23.1005 GPRESSAVG: 4652600 45.2145 5.77246 28.5195 6.10638 -29.7804 -61.689 29.1226 -61.7071 22.5176 TIMING: 4652600 CPU: 14711.6, 0.00315971/step Wall: 14711.6, 0.00315971/step, 0.304912 hours remaining, 235.335938 MB of memory in use. ENERGY: 4652600 3982.5816 20453.9377 14467.5304 246.7340 -203297.0807 2894.5052 0.0000 0.0000 52271.7609 -108980.0308 300.4065 -161251.7917 -108615.4367 300.2363 -30.4021 -8.4026 762127.3075 12.8213 12.6506 PRESSURE: 4652800 -121.204 -371.287 117.906 -371.286 482.088 -18.2055 117.907 -18.2047 99.4459 GPRESSURE: 4652800 -84.4257 -423.306 130.357 -196.154 502.883 -63.8991 69.8245 9.67883 122.829 PRESSAVG: 4652800 -21.4204 -5.78629 0.40513 -5.78633 81.8201 -17.0654 0.405126 -17.0655 11.2022 GPRESSAVG: 4652800 -21.7244 -5.59508 0.511526 -3.1726 81.3604 -15.4472 -0.800764 -18.1577 11.8824 TIMING: 4652800 CPU: 14712.2, 0.00315578/step Wall: 14712.2, 0.00315578/step, 0.304358 hours remaining, 235.335938 MB of memory in use. ENERGY: 4652800 3923.6412 20541.8644 14378.3948 250.6330 -202808.7701 2541.3280 0.0000 0.0000 52188.5738 -108984.3350 299.9285 -161172.9088 -108603.4317 299.8404 153.4433 180.4289 762307.0666 23.8673 23.8395 PRESSURE: 4653000 -17.2831 78.0153 19.0329 78.0154 -86.1891 157.168 19.033 157.166 265.585 GPRESSURE: 4653000 53.9493 79.0121 46.6258 100.971 -105.377 157.792 91.0188 171.275 314.951 PRESSAVG: 4653000 -32.4156 -30.6534 10.183 -30.6535 5.59607 -29.6828 10.183 -29.6829 -30.6352 GPRESSAVG: 4653000 -30.2003 -30.2207 9.48336 -33.4304 4.64031 -30.9751 12.4534 -28.5758 -31.3792 TIMING: 4653000 CPU: 14712.8, 0.00315154/step Wall: 14712.8, 0.00315154/step, 0.303773 hours remaining, 235.335938 MB of memory in use. ENERGY: 4653000 4052.9212 20428.5649 14405.4301 238.6957 -203279.6286 2809.6503 0.0000 0.0000 52334.9641 -109009.4024 300.7698 -161344.3665 -108644.0917 300.0012 54.0376 87.8409 762979.6138 -19.1516 -18.9797 PRESSURE: 4653200 -6.85116 91.3233 27.6147 91.3242 -73.1294 104.644 27.6153 104.643 -194.627 GPRESSURE: 4653200 4.8365 5.78906 54.043 68.5067 24.1847 135.702 157.573 -58.0841 -232.978 PRESSAVG: 4653200 13.3571 -44.2605 17.4201 -44.2605 21.4587 -19.0088 17.4201 -19.0087 -8.64588 GPRESSAVG: 4653200 11.8978 -44.3599 17.9733 -45.3096 22.9306 -19.8511 15.2873 -18.8492 -8.41663 TIMING: 4653200 CPU: 14713.4, 0.00315325/step Wall: 14713.4, 0.00315325/step, 0.303763 hours remaining, 235.335938 MB of memory in use. ENERGY: 4653200 4070.6569 20578.6709 14477.8961 260.0492 -203336.4874 2719.7714 0.0000 0.0000 52422.2151 -108807.2278 301.2712 -161229.4429 -108449.1039 300.1995 -91.5357 -67.9855 762984.6119 8.7233 8.8039 PRESSURE: 4653400 -219 -71.1217 295.77 -71.1217 -598.546 49.9682 295.771 49.9694 -248.037 GPRESSURE: 4653400 -229.195 -122.781 281.192 -143.637 -490.555 -9.19985 199.511 91.5696 -263.698 PRESSAVG: 4653400 15.5459 -17.168 27.1804 -17.168 -5.03697 -18.3258 27.1804 -18.3259 10.9007 GPRESSAVG: 4653400 14.516 -17.174 27.5939 -16.3381 -5.49045 -16.9294 27.1766 -20.2398 11.9436 TIMING: 4653400 CPU: 14714.1, 0.00313917/step Wall: 14714.1, 0.00313917/step, 0.302233 hours remaining, 235.335938 MB of memory in use. ENERGY: 4653400 4073.4264 20698.9513 14507.4769 267.8405 -203277.5062 2717.3901 0.0000 0.0000 52254.4716 -108757.9494 300.3072 -161012.4210 -108401.3548 300.6486 -355.1943 -327.8158 763758.7968 7.1365 6.9897 PRESSURE: 4653600 44.2221 -1.64543 188.587 -1.64695 -125.114 -4.60556 188.588 -4.60591 -1.53606 GPRESSURE: 4653600 99.9918 78.253 180.73 -73.7139 -64.6702 -55.4664 139.089 -14.3604 -26.6331 PRESSAVG: 4653600 -90.5679 -21.0126 17.8178 -21.0126 -11.9127 13.3918 17.8178 13.3918 14.365 GPRESSAVG: 4653600 -89.9347 -19.606 15.4234 -22.2381 -11.2541 12.5638 19.5293 15.643 13.0558 TIMING: 4653600 CPU: 14714.7, 0.00315889/step Wall: 14714.7, 0.00315889/step, 0.303956 hours remaining, 235.335938 MB of memory in use. ENERGY: 4653600 3997.8564 20405.8716 14455.2797 264.5566 -203541.6673 2996.5601 0.0000 0.0000 52479.9666 -108941.5763 301.6031 -161421.5429 -108571.2509 300.0994 -27.4761 2.8962 764046.4385 -29.3718 -29.3777 PRESSURE: 4653800 130.231 67.5192 -119.603 67.5188 141.827 -26.8449 -119.603 -26.8456 -243.706 GPRESSURE: 4653800 86.2007 -14.2937 -114.813 32.5976 163.018 33.9827 -130.419 45.6264 -133.056 PRESSAVG: 4653800 -11.6715 -51.4333 38.8262 -51.4333 -9.44854 30.8159 38.8262 30.8159 -2.61491 GPRESSAVG: 4653800 -10.8578 -52.5736 40.4064 -50.2849 -11.1913 30.9385 36.5344 29.7035 -1.46061 TIMING: 4653800 CPU: 14715.3, 0.00314555/step Wall: 14715.3, 0.00314555/step, 0.302497 hours remaining, 235.335938 MB of memory in use. ENERGY: 4653800 4028.8711 20655.4453 14526.1383 242.7112 -203617.8605 3020.8487 0.0000 0.0000 52121.1058 -109022.7401 299.5407 -161143.8460 -108660.0061 300.2866 9.4506 38.7209 762703.1349 -7.9117 -7.8365 PRESSURE: 4654000 -364.14 -114.276 211.456 -114.277 -509.377 86.2789 211.455 86.2794 -278.502 GPRESSURE: 4654000 -357.07 -162.755 138.991 -145.368 -460.667 43.7418 299.222 38.0739 -281.37 PRESSAVG: 4654000 -66.4948 -14.6625 21.3703 -14.6625 46.2784 13.8577 21.3704 13.8577 -13.2471 GPRESSAVG: 4654000 -67.3837 -16.4101 20.5245 -14.0222 46.9446 12.9598 21.9577 14.3376 -13.5769 TIMING: 4654000 CPU: 14716, 0.00316518/step Wall: 14716, 0.00316518/step, 0.304209 hours remaining, 235.335938 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: 4654000 4012.9997 20614.0613 14492.3187 230.8632 -203106.5618 2533.8006 0.0000 0.0000 52246.5290 -108975.9892 300.2615 -161222.5183 -108606.1416 299.6838 -384.0064 -366.3689 763838.3515 -11.1545 -11.3387 PRESSURE: 4654200 -20.0789 -190.474 185.042 -190.475 63.5405 -73.3719 185.042 -73.3728 389.758 GPRESSURE: 4654200 -1.76771 -190.292 187.586 -127.945 145.609 -69.1584 90.2783 -21.1271 366.523 PRESSAVG: 4654200 -29.3097 61.8727 48.7554 61.8727 68.0184 -35.526 48.7553 -35.526 -13.7313 GPRESSAVG: 4654200 -29.1162 63.6949 51.0824 61.4993 68.491 -34.6735 51.293 -35.8634 -13.2915 TIMING: 4654200 CPU: 14716.6, 0.00318758/step Wall: 14716.6, 0.00318758/step, 0.306185 hours remaining, 235.335938 MB of memory in use. ENERGY: 4654200 4017.5889 20538.7346 14458.6444 236.5615 -203170.8755 2752.4159 0.0000 0.0000 52062.9211 -109104.0091 299.2063 -161166.9302 -108730.1890 300.2581 144.4066 170.1214 763353.9728 8.3258 8.6944 PRESSURE: 4654400 -212.645 44.5488 -129.576 44.549 -308.163 -152.669 -129.577 -152.668 62.8777 GPRESSURE: 4654400 -216.605 -30.3897 -141.924 7.90768 -291.131 -112.108 -17.1831 -160.308 139.227 PRESSAVG: 4654400 14.7442 20.0889 18.0109 20.0889 25.6868 37.1615 18.011 37.1615 17.433 GPRESSAVG: 4654400 14.2606 16.8375 15.0295 20.5781 26.0776 35.952 17.597 38.8011 17.6646 TIMING: 4654400 CPU: 14717.2, 0.00317009/step Wall: 14717.2, 0.00317009/step, 0.304329 hours remaining, 235.335938 MB of memory in use. ENERGY: 4654400 3996.6106 20592.7200 14504.0963 241.3430 -203302.8948 2618.1020 0.0000 0.0000 52169.2659 -109180.7572 299.8175 -161350.0231 -108811.8263 299.4084 -152.6434 -122.8360 763090.4539 19.2880 19.3343 PRESSURE: 4654600 -60.6485 14.9553 177.201 14.9553 -52.7111 -40.4223 177.202 -40.4231 -302.582 GPRESSURE: 4654600 -19.768 -34.0906 171.29 32.8127 14.7318 -92.0016 126.158 -109.37 -322.431 PRESSAVG: 4654600 4.50904 -3.77796 32.3527 -3.77805 -24.9174 -39.6106 32.3526 -39.6106 -3.46259 GPRESSAVG: 4654600 5.59371 -2.07606 34.1633 -3.08062 -25.1383 -37.4522 32.9233 -41.8035 -3.50369 TIMING: 4654600 CPU: 14717.9, 0.00317698/step Wall: 14717.9, 0.00317698/step, 0.304814 hours remaining, 235.335938 MB of memory in use. ENERGY: 4654600 3950.1102 20474.9416 14538.8982 227.3551 -203197.4579 2663.4635 0.0000 0.0000 52139.2753 -109203.4139 299.6451 -161342.6893 -108831.6828 299.4222 -138.6472 -109.1556 762937.7636 -7.9570 -7.6828 PRESSURE: 4654800 -139.584 33.1852 34.0605 33.1847 -255.207 40.38 34.0604 40.38 -79.5697 GPRESSURE: 4654800 -162.402 45.4166 -17.2405 22.9156 -126.211 79.7615 138.265 -82.8628 -109.324 PRESSAVG: 4654800 15.2622 33.6921 -6.17756 33.6921 26.7347 17.1968 -6.17756 17.1968 8.13893 GPRESSAVG: 4654800 14.0762 34.5277 -7.13776 34.3498 27.1939 15.0083 -8.35648 15.2872 8.28306 TIMING: 4654800 CPU: 14718.5, 0.00316719/step Wall: 14718.5, 0.00316719/step, 0.303698 hours remaining, 235.335938 MB of memory in use. ENERGY: 4654800 3921.6825 20588.8482 14530.6899 254.7987 -203632.6408 2778.8330 0.0000 0.0000 52156.9504 -109400.8382 299.7467 -161557.7885 -109029.5206 299.2085 -158.1204 -132.6455 762267.6297 16.7120 16.5177 PRESSURE: 4655000 -84.889 -102.74 71.8954 -102.74 -155.269 -106.557 71.8954 -106.558 -371.668 GPRESSURE: 4655000 -16.9212 -66.905 27.3182 -51.5312 -184.091 -88.1505 -36.3118 -158.075 -351.801 PRESSAVG: 4655000 -34.6427 -19.2842 13.7389 -19.2842 48.7166 22.0769 13.7389 22.0769 -2.1473 GPRESSAVG: 4655000 -34.7621 -18.3775 14.1429 -20.3904 48.7078 23.0352 12.9176 24.3802 -2.10373 TIMING: 4655000 CPU: 14719.1, 0.003149/step Wall: 14719.1, 0.003149/step, 0.301779 hours remaining, 235.335938 MB of memory in use. ENERGY: 4655000 4041.0155 20589.2929 14512.2273 234.7683 -203315.8622 2531.4706 0.0000 0.0000 52058.3555 -109348.7321 299.1801 -161407.0876 -108984.3298 298.6054 -203.9421 -184.2710 762886.5280 3.9755 3.9473 PRESSURE: 4655200 -52.4714 -216.073 90.0039 -216.073 -79.992 -144.968 90.0033 -144.969 -253.987 GPRESSURE: 4655200 -15.1873 -223.692 47.3969 -195.868 -99.862 -180.725 -66.277 -143.813 -198.666 PRESSAVG: 4655200 -57.7759 1.37696 -7.01982 1.37691 36.032 6.36634 -7.01973 6.36631 3.23486 GPRESSAVG: 4655200 -57.1425 -0.112395 -6.94376 1.04343 34.9958 4.5866 -7.18435 7.46396 3.69144 TIMING: 4655200 CPU: 14719.8, 0.00314252/step Wall: 14719.8, 0.00314252/step, 0.300983 hours remaining, 235.335938 MB of memory in use. ENERGY: 4655200 3992.9933 20649.4103 14447.5192 248.4712 -203534.7663 2813.6061 0.0000 0.0000 52004.4396 -109378.3267 298.8702 -161382.7663 -109013.0009 298.7648 -128.8168 -104.5718 762518.4695 -6.1697 -6.1517 PRESSURE: 4655400 45.1937 -24.5969 -102.332 -24.5962 -181.958 191.076 -102.333 191.075 147.992 GPRESSURE: 4655400 101.29 107.132 -30.093 -40.5284 -111.93 201.974 -106.298 251.689 107.823 PRESSAVG: 4655400 -25.6371 -14.6479 -21.7108 -14.648 17.366 3.7782 -21.7108 3.77817 2.58207 GPRESSAVG: 4655400 -25.0381 -12.668 -22.7373 -15.4465 18.3952 6.43957 -22.2092 0.0807482 0.959335 TIMING: 4655400 CPU: 14720.4, 0.0031505/step Wall: 14720.4, 0.0031505/step, 0.301573 hours remaining, 235.335938 MB of memory in use. ENERGY: 4655400 3947.6759 20498.1309 14484.8309 240.4099 -203333.8004 2687.7015 0.0000 0.0000 52209.9536 -109265.0977 300.0513 -161475.0513 -108891.1906 299.0863 3.7426 32.3942 762335.6143 -1.8963 -1.8945 PRESSURE: 4655600 -85.9704 2.016 -95.5011 2.01594 188.228 73.4873 -95.5018 73.4879 210.884 GPRESSURE: 4655600 83.9329 34.7902 -43.5124 -93.35 78.0686 82.4178 -135.94 168.768 232.137 PRESSAVG: 4655600 43.8238 -24.3437 -12.249 -24.3437 -37.1581 26.6168 -12.2491 26.6169 16.758 GPRESSAVG: 4655600 44.4418 -22.7215 -10.1818 -25.0696 -37.3857 24.1618 -11.8786 30.3508 17.459 TIMING: 4655600 CPU: 14721, 0.00317029/step Wall: 14721, 0.00317029/step, 0.303291 hours remaining, 235.335938 MB of memory in use. ENERGY: 4655600 4056.7194 20490.0021 14417.6233 251.6886 -203501.6831 2827.4586 0.0000 0.0000 52057.6631 -109400.5281 299.1761 -161458.1912 -109029.5122 299.3689 104.3805 131.3795 761102.7742 7.8079 8.1717 PRESSURE: 4655800 -255.004 -64.4011 -154.816 -64.4012 191.927 -215.688 -154.816 -215.687 353.434 GPRESSURE: 4655800 -154.414 -122.316 -170.343 -133.535 214.522 -342.528 -170.855 -362.395 301.843 PRESSAVG: 4655800 -22.3311 -12.3207 -25.0065 -12.3208 -19.4002 47.5764 -25.0065 47.5764 6.59852 GPRESSAVG: 4655800 -22.8738 -14.2773 -24.8781 -11.0292 -19.0681 49.2979 -25.2898 45.7093 6.27745 TIMING: 4655800 CPU: 14721.7, 0.00315416/step Wall: 14721.7, 0.00315416/step, 0.301573 hours remaining, 235.335938 MB of memory in use. ENERGY: 4655800 4042.3875 20499.9729 14443.4599 245.1827 -203233.0489 2687.7745 0.0000 0.0000 52030.6070 -109283.6644 299.0206 -161314.2714 -108921.0921 299.2239 96.7855 120.6501 761931.7764 -11.7109 -11.8881 PRESSURE: 4656000 -395.444 69.3938 -228.397 69.395 -146.923 119.485 -228.397 119.485 -174.263 GPRESSURE: 4656000 -390.134 -73.2524 -145.532 64.2743 -26.2701 167.6 -164.383 41.004 -219.101 PRESSAVG: 4656000 24.5378 -40.3031 -68.1048 -40.303 -62.575 -1.28233 -68.1047 -1.28228 4.39229 GPRESSAVG: 4656000 23.2424 -41.2367 -67.4614 -39.8886 -61.5499 -0.146324 -67.1003 -1.77495 4.46655 TIMING: 4656000 CPU: 14722.3, 0.00313958/step Wall: 14722.3, 0.00313958/step, 0.300005 hours remaining, 235.335938 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: 4656000 4053.3584 20594.0118 14563.0867 236.9173 -203173.6452 2543.6104 0.0000 0.0000 51800.1072 -109382.5533 297.6959 -161182.6604 -109022.1708 299.1272 -238.8766 -211.8349 764114.1752 -11.2150 -11.2803 PRESSURE: 4656200 94.7837 -60.2362 77.0892 -60.2361 -72.2111 78.99 77.0895 78.9908 140.448 GPRESSURE: 4656200 136.882 -57.3601 151.839 -41.5576 -43.8112 93.0432 84.4585 116.879 147.243 PRESSAVG: 4656200 -22.8878 -26.084 -21.4231 -26.084 -1.35795 -0.0623756 -21.4231 -0.0623239 8.09358 GPRESSAVG: 4656200 -21.4321 -25.7371 -22.7386 -25.8008 -4.07004 -1.88801 -22.4501 -0.324316 9.19651 TIMING: 4656200 CPU: 14722.9, 0.00314922/step Wall: 14722.9, 0.00314922/step, 0.30075 hours remaining, 235.335938 MB of memory in use. ENERGY: 4656200 3986.7765 20720.9497 14553.0961 243.7331 -203648.6810 2875.2087 0.0000 0.0000 51829.6473 -109439.2696 297.8657 -161268.9170 -109076.2772 299.0026 54.3401 80.1046 762921.5341 -5.3841 -5.4352 LDB: ============= START OF LOAD BALANCING ============== 14735.5 LDB: ============== END OF LOAD BALANCING =============== 14735.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14735.5 LDB: ============= START OF LOAD BALANCING ============== 14735.8 LDB: Largest compute 7029 load 0.034275 is 17.5% of average load 0.195643 LDB: Average compute 0.004394 is 2.2% of average load 0.195643 LDB: TIME 14735.8 LOAD: AVG 0.195643 MAX 0.216763 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 238.422 MB LDB: TIME 14735.8 LOAD: AVG 0.195643 MAX 0.216763 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.625 MB LDB: TIME 14735.8 LOAD: AVG 0.195643 MAX 0.216763 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.625 MB LDB: ============== END OF LOAD BALANCING =============== 14735.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14735.8 PRESSURE: 4656400 -117.85 -243.975 -56.91 -243.974 -143.011 -10.4105 -56.9095 -10.41 -230.938 GPRESSURE: 4656400 -70.3376 -225.964 -4.15531 -239.81 -173.079 -11.372 -44.2587 -117.935 -173.031 PRESSAVG: 4656400 7.84018 -37.0037 -11.1607 -37.0037 -6.67476 20.9619 -11.1606 20.9618 -16.4259 GPRESSAVG: 4656400 7.96866 -37.6299 -11.4385 -35.8623 -5.70459 21.0172 -10.5825 24.3376 -17.71 TIMING: 4656400 CPU: 14723.6, 0.00324321/step Wall: 14723.6, 0.00324321/step, 0.309547 hours remaining, 234.429688 MB of memory in use. ENERGY: 4656400 4070.2624 20312.0451 14481.7304 237.2521 -203471.2181 2820.8145 0.0000 0.0000 52098.3550 -109450.7587 299.4100 -161549.1137 -109076.5066 298.7134 -163.9330 -138.8159 762531.3734 -5.0868 -5.1487 PRESSURE: 4656600 -76.261 206.468 99.7034 206.468 -113.288 145.534 99.7033 145.535 13.6159 GPRESSURE: 4656600 -136.347 150.037 110.124 97.6624 -4.71493 151.465 56.021 103.712 30.4262 PRESSAVG: 4656600 -45.5122 -52.9287 31.2333 -52.9287 32.7048 -8.75771 31.2333 -8.75778 3.17597 GPRESSAVG: 4656600 -45.8839 -53.0895 31.9496 -53.4926 32.9329 -7.89772 32.166 -11.2408 3.12084 TIMING: 4656600 CPU: 14724.2, 0.00315938/step Wall: 14724.2, 0.00315938/step, 0.30137 hours remaining, 234.613281 MB of memory in use. ENERGY: 4656600 4035.5611 20682.2270 14503.3413 253.8314 -203363.1130 2732.0046 0.0000 0.0000 51852.8858 -109303.2618 297.9992 -161156.1476 -108949.2609 298.9515 -58.6443 -36.8784 763559.0309 -3.2105 -3.2767 PRESSURE: 4656800 103.268 43.0628 -136.327 43.0627 -320.534 -160.775 -136.327 -160.774 -13.424 GPRESSURE: 4656800 90.8685 23.8273 -122.248 68.0963 -216.093 -184.668 -10.797 -68.9081 -12.5946 PRESSAVG: 4656800 52.0802 28.5914 -38.7958 28.5914 -42.1095 -30.1917 -38.7959 -30.1917 -9.69876 GPRESSAVG: 4656800 53.0588 29.3001 -38.0585 27.6727 -41.9313 -31.5221 -42.8298 -29.2316 -10.5711 TIMING: 4656800 CPU: 14724.8, 0.00314662/step Wall: 14724.8, 0.00314662/step, 0.299978 hours remaining, 234.613281 MB of memory in use. ENERGY: 4656800 4065.2575 20442.6891 14558.4315 253.7220 -203412.2238 2615.5133 0.0000 0.0000 52231.8276 -109244.7827 300.1770 -161476.6103 -108868.6397 299.5200 -76.8966 -45.9398 762528.0588 0.0907 0.1855 PRESSURE: 4657000 -531.351 -99.4632 -137.97 -99.463 -340.724 111.495 -137.971 111.495 -132.633 GPRESSURE: 4657000 -515.699 -214.959 -72.9073 -92.9454 -247.679 74.3034 -154.454 67.9607 -148.231 PRESSAVG: 4657000 -39.8751 8.75923 -20.7518 8.75922 28.0236 11.2501 -20.7517 11.2502 -10.8313 GPRESSAVG: 4657000 -40.4 7.46843 -21.927 9.67242 27.7623 12.0877 -19.3546 8.73559 -10.2976 TIMING: 4657000 CPU: 14725.5, 0.00316296/step Wall: 14725.5, 0.00316296/step, 0.301359 hours remaining, 234.613281 MB of memory in use. ENERGY: 4657000 4067.6637 20504.5446 14511.3315 246.5688 -203120.0306 2573.5433 0.0000 0.0000 52090.1737 -109126.2050 299.3629 -161216.3787 -108770.1387 299.4857 -334.9026 -303.8696 764108.5177 -7.5610 -7.6451 PRESSURE: 4657200 -140.965 -114.066 -7.55486 -114.066 -264.376 117.439 -7.55538 117.439 11.1691 GPRESSURE: 4657200 -45.219 -87.2183 41.0083 -36.1425 -200.506 113.509 61.9038 66.8213 -66.9701 PRESSAVG: 4657200 30.3279 -37.3251 -8.99241 -37.3251 -47.0919 -26.7821 -8.99243 -26.7821 -3.34734 GPRESSAVG: 4657200 30.1393 -35.8735 -8.28774 -38.5731 -46.3754 -27.2445 -7.75652 -26.4108 -4.35847 TIMING: 4657200 CPU: 14726.1, 0.00316483/step Wall: 14726.1, 0.00316483/step, 0.301362 hours remaining, 234.613281 MB of memory in use. ENERGY: 4657200 3997.5933 20603.2371 14493.7810 240.6862 -203226.4920 2805.9814 0.0000 0.0000 52024.5861 -109060.6270 298.9860 -161085.2131 -108698.9536 300.0284 -131.3905 -104.2318 763224.7476 -6.7038 -6.8649 PRESSURE: 4657400 -226.477 -282.191 -83.4678 -282.191 -27.4706 52.9401 -83.467 52.94 98.991 GPRESSURE: 4657400 -149.746 -166.901 -137.866 -181.732 16.055 -15.6333 -120.808 -4.58635 42.1738 PRESSAVG: 4657400 -58.4832 -44.3053 15.5389 -44.3053 86.2725 3.50067 15.5388 3.50071 -21.0856 GPRESSAVG: 4657400 -58.4038 -46.4644 16.2088 -42.1157 85.5325 3.65655 14.8588 5.66374 -20.3769 TIMING: 4657400 CPU: 14726.7, 0.00315873/step Wall: 14726.7, 0.00315873/step, 0.300606 hours remaining, 234.613281 MB of memory in use. ENERGY: 4657400 4028.0589 20577.3408 14479.7562 273.1027 -203382.0238 2877.6838 0.0000 0.0000 52105.7750 -109040.3063 299.4526 -161146.0813 -108674.3705 299.7599 -51.6520 -30.5058 761849.0363 2.2346 2.2506 PRESSURE: 4657600 -206.989 44.3117 82.862 44.3115 -0.910579 106.191 82.8622 106.19 281.569 GPRESSURE: 4657600 -125.74 54.8822 127.128 97.4716 43.011 145.49 8.59299 80.8108 240.007 PRESSAVG: 4657600 15.3152 -6.30218 -41.6273 -6.30212 43.8371 -14.4179 -41.6273 -14.4178 2.55634 GPRESSAVG: 4657600 14.0258 -3.95128 -43.1367 -8.13646 44.4838 -13.758 -39.1576 -13.9588 3.07626 TIMING: 4657600 CPU: 14727.4, 0.003152/step Wall: 14727.4, 0.003152/step, 0.29979 hours remaining, 234.613281 MB of memory in use. ENERGY: 4657600 3933.7665 20449.9733 14480.6483 246.3136 -202901.5265 2601.5977 0.0000 0.0000 52202.6490 -108986.5781 300.0093 -161189.2271 -108623.1107 300.0213 24.5565 52.4259 763665.8188 20.5696 20.5286 PRESSURE: 4657800 -349.368 -159.448 -141.141 -159.448 -160.535 46.2025 -141.141 46.2017 -63.1791 GPRESSURE: 4657800 -156.69 -131.56 -150.611 -157.36 -247.926 -32.5376 -154.533 49.2407 -95.7273 PRESSAVG: 4657800 -17.8636 -55.4272 -21.8378 -55.4272 6.15275 22.9451 -21.8378 22.9451 -2.48451 GPRESSAVG: 4657800 -16.439 -55.5615 -22.0519 -56.0282 4.85192 23.4539 -24.0038 22.7705 -2.77701 TIMING: 4657800 CPU: 14728, 0.0031582/step Wall: 14728, 0.0031582/step, 0.300204 hours remaining, 234.613281 MB of memory in use. ENERGY: 4657800 3942.8577 20732.1550 14490.8649 247.3465 -203203.7305 2526.4059 0.0000 0.0000 52144.5312 -109119.5693 299.6753 -161264.1006 -108765.6175 299.3389 -191.0274 -166.7814 762573.4619 -4.7318 -4.7880 PRESSURE: 4658000 238.772 228.545 119.288 228.545 -49.2879 4.08374 119.288 4.08389 407.959 GPRESSURE: 4658000 232.676 147.11 241.514 185.174 60.5226 -55.1789 138.718 -29.5246 382.758 PRESSAVG: 4658000 -27.253 9.18222 -62.8922 9.18232 17.5457 7.00441 -62.8922 7.00442 -35.2874 GPRESSAVG: 4658000 -27.7056 8.11782 -60.8526 9.73878 18.7686 6.2542 -62.534 5.23556 -36.5423 TIMING: 4658000 CPU: 14728.6, 0.00317018/step Wall: 14728.6, 0.00317018/step, 0.301167 hours remaining, 234.613281 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: 4658000 3976.0535 20597.3971 14382.4763 238.1674 -203328.9828 2973.0383 0.0000 0.0000 52017.1067 -109144.7436 298.9430 -161161.8503 -108774.0348 299.2187 199.1476 225.3190 764631.4627 -14.9982 -15.1598 PRESSURE: 4658200 -57.7098 88.3527 39.9297 88.3519 81.5997 -70.9806 39.9303 -70.9807 48.322 GPRESSURE: 4658200 -54.7417 45.9032 9.0873 -32.9505 75.557 -21.8561 -26.3208 -6.48273 118.525 PRESSAVG: 4658200 1.5355 54.0338 6.72017 54.0337 5.74734 19.9955 6.72021 19.9955 -3.88441 GPRESSAVG: 4658200 0.275193 54.4899 2.99206 55.2285 5.33254 17.6759 9.03679 21.0069 -1.84174 TIMING: 4658200 CPU: 14729.2, 0.00313715/step Wall: 14729.2, 0.00313715/step, 0.297855 hours remaining, 234.613281 MB of memory in use. ENERGY: 4658200 3978.2833 20698.9358 14503.3435 228.9630 -203523.1114 2968.2485 0.0000 0.0000 51860.4522 -109284.8850 298.0427 -161145.3373 -108926.5699 299.6672 24.0706 46.4469 763332.3369 1.1328 1.2553 PRESSURE: 4658400 -146.004 -181.856 -61.5521 -181.856 -169.328 -59.4997 -61.5511 -59.4998 83.8899 GPRESSURE: 4658400 -74.5272 -149.775 -111.765 -203.109 -140.325 -35.4483 -75.7968 -70.5524 42.7197 PRESSAVG: 4658400 -0.808794 -9.65372 26.5276 -9.65374 1.49948 3.49934 26.5276 3.49937 11.4342 GPRESSAVG: 4658400 0.599385 -9.80001 27.1587 -12.0324 1.74539 5.76909 25.7962 1.46507 10.3126 TIMING: 4658400 CPU: 14729.9, 0.00315802/step Wall: 14729.9, 0.00315802/step, 0.299661 hours remaining, 234.613281 MB of memory in use. ENERGY: 4658400 4068.8102 20636.4486 14480.6056 258.3001 -203369.2655 2797.0882 0.0000 0.0000 52020.2267 -109107.7862 298.9610 -161128.0129 -108747.6862 299.6667 -77.1473 -57.3776 762013.2449 4.0416 4.2191 PRESSURE: 4658600 -466.828 54.2412 17.8638 54.2398 -202.053 42.6473 17.864 42.646 -336.971 GPRESSURE: 4658600 -424.265 108.334 81.7427 27.6104 -207.507 90.9244 53.6121 67.8725 -292.865 PRESSAVG: 4658600 -42.4892 -64.0273 29.7757 -64.0273 21.0234 -50.6743 29.7757 -50.6743 -1.47826 GPRESSAVG: 4658600 -43.8883 -63.8457 30.1797 -63.7493 21.3988 -51.4394 28.652 -49.0461 -0.609118 TIMING: 4658600 CPU: 14730.5, 0.003168/step Wall: 14730.5, 0.003168/step, 0.300432 hours remaining, 234.613281 MB of memory in use. ENERGY: 4658600 4118.0046 20634.2864 14463.1494 240.3285 -203101.5445 2546.7035 0.0000 0.0000 52060.1222 -109038.9500 299.1902 -161099.0722 -108682.8852 299.9547 -335.2839 -308.2126 763782.8074 -7.6480 -7.6995 PRESSURE: 4658800 96.3009 -147.846 -301.883 -147.847 -180.062 23.7243 -301.883 23.7245 126.493 GPRESSURE: 4658800 165.94 -153.801 -309.687 -19.9299 -146.099 92.0047 -271.788 31.1027 107.577 PRESSAVG: 4658800 -4.7156 -30.2444 19.8727 -30.2444 39.3961 17.7222 19.8727 17.7221 5.67505 GPRESSAVG: 4658800 -3.29749 -32.4005 20.5424 -27.5332 37.6631 18.7869 18.5961 16.9285 5.86784 TIMING: 4658800 CPU: 14731.1, 0.00316612/step Wall: 14731.1, 0.00316612/step, 0.300077 hours remaining, 234.613281 MB of memory in use. ENERGY: 4658800 3936.4921 20497.5886 14480.4461 248.0941 -202946.6215 2567.6189 0.0000 0.0000 51940.8633 -109275.5184 298.5049 -161216.3817 -108922.5069 299.6033 14.2440 42.4726 762087.6871 13.4519 13.4111 PRESSURE: 4659000 -0.211072 96.8448 -136.381 96.8447 189.758 290.625 -136.38 290.626 -117.591 GPRESSURE: 4659000 17.0875 10.9872 -90.9426 126.678 234.344 150.025 -221.342 281.162 -101.329 PRESSAVG: 4659000 -60.8745 -26.9058 -29.7884 -26.9059 60.0898 -11.185 -29.7884 -11.1851 -7.25049 GPRESSAVG: 4659000 -61.7551 -25.1321 -29.7047 -29.1323 62.3345 -11.2619 -28.108 -7.97687 -8.57148 TIMING: 4659000 CPU: 14731.8, 0.00315257/step Wall: 14731.8, 0.00315257/step, 0.298618 hours remaining, 234.613281 MB of memory in use. ENERGY: 4659000 3883.3029 20530.9313 14496.9574 255.8819 -203386.8651 2751.9631 0.0000 0.0000 52193.8248 -109274.0038 299.9586 -161467.8286 -108902.2130 299.0784 23.9853 50.0341 762276.0802 -2.6784 -2.6640 PRESSURE: 4659200 -294.345 134.171 -50.3132 134.172 359.275 128.062 -50.3134 128.062 360.491 GPRESSURE: 4659200 -181.653 71.8966 -35.6326 87.8135 328.871 113.316 3.90508 90.3791 372.77 PRESSAVG: 4659200 -57.4485 29.8846 -5.16915 29.8847 34.8607 8.18338 -5.16914 8.18337 -18.0463 GPRESSAVG: 4659200 -56.4101 27.8103 -4.01592 29.0099 33.8284 7.10172 -7.39104 5.32612 -17.2065 TIMING: 4659200 CPU: 14732.4, 0.00316411/step Wall: 14732.4, 0.00316411/step, 0.299536 hours remaining, 234.613281 MB of memory in use. ENERGY: 4659200 4011.2772 20315.5737 14462.0344 249.5555 -202910.1937 2745.1228 0.0000 0.0000 51653.3119 -109473.3182 296.8523 -161126.6301 -109118.1340 299.2631 141.8071 173.3292 763839.8974 -13.5447 -13.2627 PRESSURE: 4659400 -134.794 163.626 58.0067 163.626 179.023 158.768 58.0064 158.767 77.6141 GPRESSURE: 4659400 -130.824 144.325 169.468 251.687 234.085 121.199 65.3452 83.5739 115.071 PRESSAVG: 4659400 -27.5341 65.4837 0.812298 65.4838 27.0017 -2.01806 0.812293 -2.01811 16.5746 GPRESSAVG: 4659400 -28.5676 69.1798 -0.00342228 65.8889 27.4847 -0.953335 1.49783 -1.84187 17.2267 TIMING: 4659400 CPU: 14733, 0.00316965/step Wall: 14733, 0.00316965/step, 0.299884 hours remaining, 234.613281 MB of memory in use. ENERGY: 4659400 4015.4425 20430.0030 14472.5182 267.1558 -203384.2226 2768.6176 0.0000 0.0000 51945.3160 -109485.1694 298.5304 -161430.4854 -109124.1003 298.8496 40.6142 72.7772 761097.3602 5.3474 5.3813 PRESSURE: 4659600 -234.1 33.958 -23.6134 33.9564 -321.879 -1.08629 -23.6131 -1.08595 -215.797 GPRESSURE: 4659600 -164.195 13.5278 60.4683 1.93275 -285.014 -67.0761 -60.9744 49.3036 -236.591 PRESSAVG: 4659600 29.3066 -15.1802 -24.4578 -15.1803 -19.3897 7.91124 -24.4578 7.91117 -20.1877 GPRESSAVG: 4659600 31.6102 -16.379 -24.0584 -15.0251 -20.7234 7.82631 -24.2722 7.06726 -21.2543 TIMING: 4659600 CPU: 14733.7, 0.00318451/step Wall: 14733.7, 0.00318451/step, 0.301113 hours remaining, 234.613281 MB of memory in use. ENERGY: 4659600 3938.5018 20319.3390 14449.4332 255.5727 -203241.8861 2613.9603 0.0000 0.0000 52323.2798 -109341.7994 300.7026 -161665.0791 -108974.9921 299.3866 -257.2587 -228.6001 761870.4386 -3.4236 -3.4558 PRESSURE: 4659800 -99.8085 10.3034 190.174 10.3043 -7.30329 -283.158 190.173 -283.158 333.08 GPRESSURE: 4659800 -81.7314 140.375 288.678 -24.1096 -13.1901 -227.981 108.317 -167.952 407.594 PRESSAVG: 4659800 9.2837 30.6904 -8.11259 30.6904 3.778 -2.93092 -8.11258 -2.93102 18.1237 GPRESSAVG: 4659800 7.88067 30.1946 -10.0244 30.0186 4.61516 -1.24232 -8.48383 -2.48453 18.4037 TIMING: 4659800 CPU: 14734.3, 0.0031711/step Wall: 14734.3, 0.0031711/step, 0.299669 hours remaining, 234.613281 MB of memory in use. ENERGY: 4659800 3935.6035 20543.8504 14419.6642 246.0815 -203682.5285 3070.7590 0.0000 0.0000 52171.8944 -109294.6755 299.8326 -161466.5700 -108938.7524 299.2540 75.3226 104.2243 762194.2096 10.3951 10.2998 PRESSURE: 4660000 -278.158 -69.5295 61.0886 -69.5297 31.0458 73.7362 61.0888 73.7367 34.8118 GPRESSURE: 4660000 -201.292 -36.8915 126.171 -14.6823 -8.36732 44.4878 67.5877 108.842 102.925 PRESSAVG: 4660000 -21.1053 24.1772 10.1265 24.1772 17.8572 -16.4831 10.1266 -16.483 14.3033 GPRESSAVG: 4660000 -21.9271 24.9212 11.195 25.1853 19.0091 -15.8909 9.7422 -17.4329 13.7029 TIMING: 4660000 CPU: 14735, 0.00317474/step Wall: 14735, 0.00317474/step, 0.299837 hours remaining, 234.613281 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: 4660000 3922.0793 20566.7488 14498.6250 261.1304 -203359.3629 2489.6140 0.0000 0.0000 52422.1669 -109198.9985 301.2709 -161621.1653 -108832.6134 299.8871 -70.7667 -35.5779 763240.3447 3.6851 3.5950 PRESSURE: 4660200 134.267 100.025 -21.0246 100.026 -46.2434 -101.788 -21.0243 -101.789 23.002 GPRESSURE: 4660200 169.892 128.392 28.2783 101.335 1.9304 -174.126 -9.44484 -130.185 27.3432 PRESSAVG: 4660200 -45.9652 -30.4097 18.0703 -30.4097 29.3527 27.959 18.0704 27.959 7.63756 GPRESSAVG: 4660200 -46.2885 -30.1028 17.6487 -31.0572 29.9885 25.9371 18.3733 30.8765 7.14499 TIMING: 4660200 CPU: 14735.6, 0.00312803/step Wall: 14735.6, 0.00312803/step, 0.295251 hours remaining, 234.613281 MB of memory in use. ENERGY: 4660200 3896.2274 20312.2743 14473.7747 253.5958 -203240.1054 2712.5844 0.0000 0.0000 52176.1334 -109415.5155 299.8570 -161591.6489 -109046.7708 299.3712 37.0086 66.3884 763023.3627 -2.9916 -3.0517 LDB: ============= START OF LOAD BALANCING ============== 14748.1 LDB: ============== END OF LOAD BALANCING =============== 14748.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14748.1 LDB: ============= START OF LOAD BALANCING ============== 14748.4 LDB: Largest compute 7026 load 0.032561 is 16.6% of average load 0.195631 LDB: Average compute 0.004391 is 2.2% of average load 0.195631 LDB: TIME 14748.4 LOAD: AVG 0.195631 MAX 0.21753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 14748.4 LOAD: AVG 0.195631 MAX 0.21753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: TIME 14748.4 LOAD: AVG 0.195631 MAX 0.21753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: ============== END OF LOAD BALANCING =============== 14748.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14748.4 PRESSURE: 4660400 75.642 58.6767 -32.7353 58.6766 188.088 -162.211 -32.7345 -162.211 216.145 GPRESSURE: 4660400 137.035 107.147 11.8705 69.4594 135.872 -83.0086 -20.5776 -165.198 278.546 PRESSAVG: 4660400 -39.3921 24.5017 -2.67854 24.5017 31.4727 16.9195 -2.67857 16.9196 -3.21894 GPRESSAVG: 4660400 -39.0386 25.1591 -4.16102 25.138 29.3659 17.404 -2.97505 15.665 -1.38523 TIMING: 4660400 CPU: 14736.2, 0.00324072/step Wall: 14736.2, 0.00324072/step, 0.305708 hours remaining, 236.933594 MB of memory in use. ENERGY: 4660400 3856.9387 20424.4861 14482.6707 234.3922 -203315.7999 2800.7520 0.0000 0.0000 52097.6668 -109418.8935 299.4060 -161516.5603 -109047.3874 298.6762 159.9581 183.8175 762798.9446 -3.7128 -3.6860 PRESSURE: 4660600 -153.235 146.831 -68.5761 146.831 -12.3876 -43.5528 -68.5759 -43.552 -236.685 GPRESSURE: 4660600 -100.853 113.104 -166.349 74.7635 -29.6417 -94.4831 -52.506 -24.7566 -187.326 PRESSAVG: 4660600 -39.9594 44.7627 -15.3158 44.7627 55.8342 22.3232 -15.3157 22.3232 4.83448 GPRESSAVG: 4660600 -39.129 45.4273 -14.1551 44.1164 56.2972 22.6074 -14.9935 22.6794 4.00478 TIMING: 4660600 CPU: 14736.9, 0.00315576/step Wall: 14736.9, 0.00315576/step, 0.297518 hours remaining, 237.261719 MB of memory in use. ENERGY: 4660600 4027.4102 20517.7713 14395.6346 240.3108 -203236.5249 2633.7379 0.0000 0.0000 52058.2660 -109363.3941 299.1796 -161421.6601 -109011.6103 299.4611 -134.1024 -105.9401 761459.8658 6.9031 7.0576 PRESSURE: 4660800 -349.174 -53.5552 208.164 -53.5563 -189.142 24.5661 208.164 24.5658 383.796 GPRESSURE: 4660800 -223.713 -89.0643 176.116 -104.659 -178.921 -40.1817 91.9951 72.4262 347.305 PRESSAVG: 4660800 -20.82 9.31905 9.11491 9.31911 75.7852 -6.18759 9.11489 -6.18763 16.9935 GPRESSAVG: 4660800 -20.4384 8.0113 8.85099 8.50725 76.9636 -6.72628 8.19015 -7.17188 15.9073 TIMING: 4660800 CPU: 14737.5, 0.00316773/step Wall: 14737.5, 0.00316773/step, 0.298471 hours remaining, 237.398438 MB of memory in use. ENERGY: 4660800 3991.5925 20382.8252 14508.4600 225.5751 -203496.6827 2836.4753 0.0000 0.0000 52180.2354 -109371.5192 299.8805 -161551.7545 -109005.7881 299.2153 -51.5066 -18.4430 761883.2580 23.9862 24.1442 PRESSURE: 4661000 -572.563 -48.3237 -7.33173 -48.3242 -134.611 140.465 -7.33275 140.465 -190.874 GPRESSURE: 4661000 -511.929 -46.9867 77.6483 -177.777 -120.113 29.2064 -70.6928 167.219 -202.066 PRESSAVG: 4661000 1.50975 -29.2117 -13.1887 -29.2117 19.0234 -22.4198 -13.1887 -22.4198 -10.0588 GPRESSAVG: 4661000 0.158253 -28.3945 -13.933 -30.4354 19.1533 -21.507 -12.4148 -22.3364 -8.93104 TIMING: 4661000 CPU: 14738.1, 0.00317566/step Wall: 14738.1, 0.00317566/step, 0.299042 hours remaining, 237.398438 MB of memory in use. ENERGY: 4661000 4051.3106 20584.9639 14466.1401 267.8370 -203151.0636 2555.4863 0.0000 0.0000 51812.9755 -109412.3502 297.7699 -161225.3257 -109059.7990 298.7600 -299.3496 -278.0362 762934.2368 3.4914 3.4602 PRESSURE: 4661200 -139.743 66.3592 -281.466 66.359 -313.982 -40.6687 -281.466 -40.6696 -445.55 GPRESSURE: 4661200 -114.572 127.148 -147.232 66.8609 -309.684 10.026 -301.647 -20.5557 -398.178 PRESSAVG: 4661200 -66.5151 -13.2024 -82.2826 -13.2024 61.7431 -23.8876 -82.2826 -23.8876 4.27399 GPRESSAVG: 4661200 -66.7208 -14.0388 -81.9334 -11.5946 60.2703 -23.8708 -81.3987 -22.7545 5.79121 TIMING: 4661200 CPU: 14738.8, 0.00315204/step Wall: 14738.8, 0.00315204/step, 0.296642 hours remaining, 237.398438 MB of memory in use. ENERGY: 4661200 3996.6740 20601.1038 14471.2535 251.6911 -203137.0655 2325.1304 0.0000 0.0000 52066.4368 -109424.7759 299.2265 -161491.2127 -109064.4365 299.2448 -299.7583 -274.1448 763428.0390 -0.1660 -0.2198 PRESSURE: 4661400 72.4341 -100.759 -4.20786 -100.759 85.0385 -113.236 -4.20845 -113.236 -52.7969 GPRESSURE: 4661400 198.119 -119.493 -4.3193 -103.794 29.0429 -16.8088 -69.0896 -107.844 -58.6548 PRESSAVG: 4661400 52.1463 6.46766 -15.5479 6.4676 -28.373 -21.6171 -15.548 -21.6171 0.26897 GPRESSAVG: 4661400 54.326 5.23259 -15.6852 6.41193 -29.2569 -23.3003 -16.6083 -21.2136 -1.39045 TIMING: 4661400 CPU: 14739.4, 0.00317124/step Wall: 14739.4, 0.00317124/step, 0.298273 hours remaining, 237.398438 MB of memory in use. ENERGY: 4661400 3937.3777 20391.8805 14476.4209 253.7110 -203566.5774 2750.0961 0.0000 0.0000 52194.5850 -109562.5061 299.9630 -161757.0911 -109195.0895 298.6206 34.8919 56.1691 761552.4757 8.0141 7.8929 PRESSURE: 4661600 179.976 75.075 107.391 75.0747 -225.571 102.519 107.389 102.52 -273.323 GPRESSURE: 4661600 208.855 10.869 57.7103 115.879 -234.904 98.464 148.878 107.317 -207.788 PRESSAVG: 4661600 -38.3615 7.94797 -41.9853 7.94801 10.6757 -5.93398 -41.9854 -5.93405 6.03306 GPRESSAVG: 4661600 -40.1067 7.49904 -42.3237 8.87675 12.6357 -4.81794 -40.534 -6.71944 5.96083 TIMING: 4661600 CPU: 14740, 0.00315878/step Wall: 14740, 0.00315878/step, 0.296925 hours remaining, 237.398438 MB of memory in use. ENERGY: 4661600 4002.1072 20500.9144 14433.3067 261.2522 -203311.3938 2755.7226 0.0000 0.0000 51955.6363 -109402.4544 298.5898 -161358.0907 -109043.2163 298.6897 -106.3061 -77.9460 762139.5985 -7.2176 -7.1701 PRESSURE: 4661800 221.544 183.646 -33.4572 183.646 108.362 -119.782 -33.4571 -119.783 159.724 GPRESSURE: 4661800 241.453 208.348 -133.434 92.7625 125.807 -30.7466 -14.7603 -197.002 217.139 PRESSAVG: 4661800 -36.2695 -8.67237 -28.869 -8.67244 8.93939 11.0088 -28.869 11.0088 -14.6859 GPRESSAVG: 4661800 -36.5345 -8.10694 -25.012 -11.6344 8.04329 11.1822 -29.6317 9.74416 -13.5502 TIMING: 4661800 CPU: 14740.7, 0.00316227/step Wall: 14740.7, 0.00316227/step, 0.297078 hours remaining, 237.398438 MB of memory in use. ENERGY: 4661800 3968.9894 20437.4640 14434.5796 264.1963 -203165.2240 2716.0525 0.0000 0.0000 51804.2309 -109539.7111 297.7196 -161343.9421 -109179.8627 298.5390 163.2101 194.7995 762959.4346 -14.0054 -14.0138 PRESSURE: 4662000 -212.028 -46.3967 81.0725 -46.3972 -15.9055 73.0227 81.0722 73.0217 -159.706 GPRESSURE: 4662000 -172.316 26.7673 57.5977 59.9233 -70.1573 137.029 100.329 75.7732 -69.4752 PRESSAVG: 4662000 -36.197 -16.2688 24.5843 -16.2688 36.3482 -34.7346 24.5842 -34.7347 17.3947 GPRESSAVG: 4662000 -35.2894 -15.618 20.6044 -15.1986 35.1042 -36.822 25.9672 -33.3837 17.4996 TIMING: 4662000 CPU: 14741.3, 0.0031758/step Wall: 14741.3, 0.0031758/step, 0.298173 hours remaining, 237.398438 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: 4662000 3958.3799 20464.9131 14387.0347 267.4112 -203207.0182 2439.7945 0.0000 0.0000 52170.0444 -109519.4403 299.8220 -161689.4848 -109153.1486 298.6996 -129.2132 -103.9827 761657.6953 5.8486 5.7715 PRESSURE: 4662200 126.296 214.947 185.041 214.947 -195.289 171.158 185.041 171.158 -396.604 GPRESSURE: 4662200 147.805 93.3923 204.95 186.142 -169.844 158.668 138.101 251.822 -348.743 PRESSAVG: 4662200 28.0488 13.8958 -17.0802 13.8959 -21.3173 -42.2642 -17.0802 -42.2641 8.77019 GPRESSAVG: 4662200 27.9472 11.4999 -15.4426 17.0207 -20.6946 -39.4518 -18.3213 -42.0449 7.9639 TIMING: 4662200 CPU: 14741.9, 0.00315566/step Wall: 14741.9, 0.00315566/step, 0.296106 hours remaining, 237.398438 MB of memory in use. ENERGY: 4662200 4017.1612 20586.9884 14517.2618 260.8424 -203259.8711 2538.2025 0.0000 0.0000 51802.6441 -109536.7707 297.7105 -161339.4148 -109178.9268 298.7046 -155.1989 -123.5939 761840.3208 5.1672 5.0722 PRESSURE: 4662400 29.0583 58.8447 -56.0752 58.845 -115.588 -216.766 -56.0747 -216.765 369.582 GPRESSURE: 4662400 -60.3569 49.3084 -115.957 4.07207 59.4184 -227.295 -44.7762 -229.706 370.202 PRESSAVG: 4662400 -34.2515 2.12975 -31.1157 2.12977 18.3465 -8.22437 -31.1157 -8.22435 21.0409 GPRESSAVG: 4662400 -35.0384 3.94068 -31.6031 -0.0243868 20.0069 -9.6335 -30.3989 -8.19995 20.3053 TIMING: 4662400 CPU: 14742.6, 0.00316205/step Wall: 14742.6, 0.00316205/step, 0.29653 hours remaining, 237.398438 MB of memory in use. ENERGY: 4662400 3891.7466 20653.0960 14491.6223 256.1773 -203282.9856 2432.1736 0.0000 0.0000 52206.8108 -109351.3591 300.0333 -161558.1699 -108997.0096 299.0944 94.3506 123.0877 760054.7256 1.7120 1.7579 PRESSURE: 4662600 -81.9723 28.3081 176.066 28.3081 -226.608 72.7219 176.066 72.7213 85.7305 GPRESSURE: 4662600 -5.08935 15.4648 173.945 24.7318 -274.111 16.3225 87.9509 108.66 149.391 PRESSAVG: 4662600 -7.71031 -45.2887 13.9177 -45.2887 16.2096 -39.2182 13.9178 -39.2182 -17.4514 GPRESSAVG: 4662600 -6.95661 -44.6133 14.934 -47.3411 16.2039 -39.9232 12.822 -41.3211 -17.8432 TIMING: 4662600 CPU: 14743.2, 0.00315526/step Wall: 14743.2, 0.00315526/step, 0.295718 hours remaining, 237.398438 MB of memory in use. ENERGY: 4662600 4070.6437 20652.5300 14485.7140 240.0008 -203415.7669 2477.6886 0.0000 0.0000 52379.7301 -109109.4596 301.0270 -161489.1897 -108742.6311 299.8976 -74.2833 -43.2699 761107.1945 -2.9840 -2.8653 PRESSURE: 4662800 -156.242 180.238 174.826 180.237 -81.3693 -53.1508 174.826 -53.1527 -20.3418 GPRESSURE: 4662800 -167.712 284.337 185.032 211.4 18.5738 -65.877 296.785 -108.88 -8.49406 PRESSAVG: 4662800 -30.9232 31.0301 72.2071 31.0301 17.8606 34.7385 72.2071 34.7385 4.41432 GPRESSAVG: 4662800 -31.9681 30.8896 72.83 32.4311 18.7532 36.3898 73.2107 35.375 4.28745 TIMING: 4662800 CPU: 14743.8, 0.00317255/step Wall: 14743.8, 0.00317255/step, 0.297162 hours remaining, 237.398438 MB of memory in use. ENERGY: 4662800 4070.7965 20523.0096 14524.6119 261.1715 -203366.0162 2604.4795 0.0000 0.0000 52235.3001 -109146.6470 300.1970 -161381.9471 -108791.6482 299.7332 -85.9842 -52.5441 762787.6545 -2.8827 -2.9758 PRESSURE: 4663000 304.218 -54.1035 -26.1753 -54.1031 287.092 90.1737 -26.1753 90.1736 45.2855 GPRESSURE: 4663000 338.18 -110.296 -29.9522 43.5986 274.299 109.138 -97.4173 139.579 126.436 PRESSAVG: 4663000 -0.115659 38.7361 -3.09575 38.7361 36.1099 18.6921 -3.09569 18.6921 16.4159 GPRESSAVG: 4663000 0.284391 38.8402 -3.3768 38.599 34.2613 18.3741 -0.278308 18.7577 18.3681 TIMING: 4663000 CPU: 14744.5, 0.00317158/step Wall: 14744.5, 0.00317158/step, 0.296895 hours remaining, 237.398438 MB of memory in use. ENERGY: 4663000 3950.6090 20477.3590 14553.5540 231.1641 -203469.5226 3115.4432 0.0000 0.0000 52087.6728 -109053.7204 299.3486 -161141.3932 -108691.1406 299.9272 212.1985 246.3051 761687.5043 17.4700 17.6379 PRESSURE: 4663200 370.282 103.79 46.4051 103.79 -103.162 105.339 46.405 105.34 20.2423 GPRESSURE: 4663200 415.621 70.6639 134.822 126.444 -89.4785 125.456 8.06256 31.9535 47.852 PRESSAVG: 4663200 57.6031 -8.45333 -21.8178 -8.4533 -19.0239 -0.863705 -21.8177 -0.863725 -1.75383 GPRESSAVG: 4663200 57.9043 -9.87103 -21.1437 -9.19128 -18.8454 -1.41756 -24.7015 0.183908 -2.36857 TIMING: 4663200 CPU: 14745.1, 0.00316582/step Wall: 14745.1, 0.00316582/step, 0.29618 hours remaining, 237.398438 MB of memory in use. ENERGY: 4663200 3944.9309 20606.4716 14513.7328 246.6265 -203495.2794 2803.4430 0.0000 0.0000 52128.4106 -109251.6640 299.5827 -161380.0747 -108892.6336 299.9939 95.7877 124.6647 760949.0884 12.2751 12.2301 PRESSURE: 4663400 90.3983 -26.2916 -93.9946 -26.2921 99.4875 -1.41228 -93.9953 -1.41203 -173.191 GPRESSURE: 4663400 194.941 11.1602 -0.580038 -3.11599 120.685 -62.0968 -72.6364 55.6379 -218.017 PRESSAVG: 4663400 -14.1361 -42.2252 -24.5529 -42.2252 28.4163 29.4486 -24.5529 29.4487 6.16743 GPRESSAVG: 4663400 -14.0413 -41.9649 -27.0528 -41.1477 28.7428 29.2949 -24.0001 29.336 5.42159 TIMING: 4663400 CPU: 14745.7, 0.00317826/step Wall: 14745.7, 0.00317826/step, 0.297168 hours remaining, 237.398438 MB of memory in use. ENERGY: 4663400 3887.2531 20605.6459 14517.2241 254.1393 -202815.7275 2316.6587 0.0000 0.0000 51990.7311 -109244.0752 298.7914 -161234.8064 -108871.4823 299.5824 5.5651 32.5363 762416.7885 6.8159 6.7077 PRESSURE: 4663600 -320.258 -15.7262 -102.052 -15.7241 -168.915 -191.612 -102.052 -191.612 -236.931 GPRESSURE: 4663600 -320.886 73.7072 -53.1485 -72.4006 -112.201 -192.708 -8.01142 -154.439 -218.219 PRESSAVG: 4663600 36.0787 -37.2859 1.28017 -37.2859 32.4132 7.65105 1.28017 7.6511 -10.9989 GPRESSAVG: 4663600 36.1567 -36.9533 3.0721 -37.38 31.2178 7.91935 1.56611 7.13935 -10.0933 TIMING: 4663600 CPU: 14746.4, 0.00315533/step Wall: 14746.4, 0.00315533/step, 0.294848 hours remaining, 237.398438 MB of memory in use. ENERGY: 4663600 3991.9253 20456.3798 14580.7955 252.2083 -203179.1680 2572.0923 0.0000 0.0000 52192.0076 -109133.7592 299.9482 -161325.7668 -108761.3144 299.6709 -242.0347 -217.1020 761868.0651 19.1643 19.0937 PRESSURE: 4663800 361.786 -148.894 235.538 -148.893 -150.546 -134.737 235.539 -134.737 69.4764 GPRESSURE: 4663800 251.214 -56.6568 204.97 -118.421 28.8381 -46.0197 115.172 -27.2983 68.2432 PRESSAVG: 4663800 2.44654 -59.9321 2.965 -59.932 -10.6177 31.2194 2.96506 31.2193 11.0119 GPRESSAVG: 4663800 1.173 -60.0834 2.01214 -59.944 -9.23302 32.6978 5.59752 31.6895 10.8539 TIMING: 4663800 CPU: 14747, 0.00316825/step Wall: 14747, 0.00316825/step, 0.29588 hours remaining, 237.398438 MB of memory in use. ENERGY: 4663800 3976.0806 20704.6872 14457.5242 257.7669 -203719.7871 2907.6636 0.0000 0.0000 52072.2597 -109343.8048 299.2600 -161416.0646 -108989.4813 299.4595 93.5722 116.0983 760160.9671 0.9469 0.9313 PRESSURE: 4664000 -60.0845 -7.24648 -307.643 -7.24628 85.4785 46.021 -307.644 46.0201 315.604 GPRESSURE: 4664000 64.4858 -136.451 -244.642 -20.2786 51.1724 52.9792 -206.461 63.0143 286.816 PRESSAVG: 4664000 -3.55334 22.7565 -14.4984 22.7564 -25.7281 41.3312 -14.4984 41.3313 -0.404983 GPRESSAVG: 4664000 -2.45988 22.0971 -14.734 22.6499 -26.3236 41.2773 -15.011 41.2735 -1.06641 TIMING: 4664000 CPU: 14747.6, 0.00317477/step Wall: 14747.6, 0.00317477/step, 0.296312 hours remaining, 237.398438 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: 4664000 4031.6228 20562.6628 14452.7835 244.2351 -203651.4636 2892.4358 0.0000 0.0000 52381.0803 -109086.6432 301.0348 -161467.7235 -108719.7685 300.1162 113.6660 134.1581 761655.6474 -9.8955 -9.9500 PRESSURE: 4664200 -294.526 -59.3628 67.6877 -59.3621 -233.846 41.9653 67.6871 41.9658 -102.493 GPRESSURE: 4664200 -210.341 -50.3046 195.482 -131.524 -233.377 35.9022 36.2658 -24.0448 -89.147 PRESSAVG: 4664200 10.2929 -31.0581 73.6309 -31.058 32.2909 23.8319 73.631 23.832 -3.3507 GPRESSAVG: 4664200 9.93368 -29.4859 74.5757 -33.1127 33.3199 23.0293 70.3416 23.7294 -4.03974 TIMING: 4664200 CPU: 14748.3, 0.00320795/step Wall: 14748.3, 0.00320795/step, 0.299231 hours remaining, 237.398438 MB of memory in use. ENERGY: 4664200 3969.0885 20439.1518 14506.9067 259.0882 -203107.0746 2452.0612 0.0000 0.0000 52206.1985 -109274.5798 300.0297 -161480.7782 -108902.0444 300.1829 -210.2883 -177.6214 761913.5676 13.0777 13.0713 LDB: ============= START OF LOAD BALANCING ============== 14760.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14760.8 LDB: =============== DONE WITH MIGRATION ================ 14760.8 LDB: ============= START OF LOAD BALANCING ============== 14761.1 LDB: Largest compute 7029 load 0.035794 is 18.3% of average load 0.195564 LDB: Average compute 0.004397 is 2.2% of average load 0.195564 LDB: TIME 14761.1 LOAD: AVG 0.195564 MAX 0.219853 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.758 MB LDB: TIME 14761.1 LOAD: AVG 0.195564 MAX 0.219853 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: TIME 14761.1 LOAD: AVG 0.195564 MAX 0.217672 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.758 MB LDB: ============== END OF LOAD BALANCING =============== 14761.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14761.1 PRESSURE: 4664400 -26.562 -200.848 248.434 -200.848 -74.4841 -111.101 248.434 -111.1 -500.983 GPRESSURE: 4664400 -14.8821 -220.415 263.737 -162.552 27.0885 -21.7953 198.765 9.94184 -519.63 PRESSAVG: 4664400 5.02925 24.0761 44.6355 24.0761 -16.023 34.7648 44.6356 34.7647 -18.0287 GPRESSAVG: 4664400 5.90975 21.3412 44.0891 25.1747 -18.1888 34.474 45.3442 33.7382 -16.1404 TIMING: 4664400 CPU: 14748.9, 0.00323603/step Wall: 14748.9, 0.00323603/step, 0.30167 hours remaining, 236.355469 MB of memory in use. ENERGY: 4664400 3951.8607 20411.7438 14460.1268 223.6025 -203414.2442 2714.8568 0.0000 0.0000 52145.8206 -109506.2330 299.6827 -161652.0536 -109134.6465 299.3222 -200.6764 -169.1413 761510.2833 -9.6741 -9.4731 PRESSURE: 4664600 -73.5755 88.1544 40.0101 88.1549 -19.9336 268.098 40.01 268.098 -65.0098 GPRESSURE: 4664600 -51.7547 40.421 24.2051 220.811 4.43863 273.097 -50.3202 209.51 -53.865 PRESSAVG: 4664600 -3.77245 -48.4482 -25.3687 -48.4482 -6.92325 1.30467 -25.3688 1.30468 -8.19946 GPRESSAVG: 4664600 -2.97632 -45.1463 -24.7527 -47.814 -6.16615 1.64784 -24.6699 1.3937 -9.95138 TIMING: 4664600 CPU: 14749.5, 0.00319358/step Wall: 14749.5, 0.00319358/step, 0.297536 hours remaining, 236.410156 MB of memory in use. ENERGY: 4664600 3953.3001 20475.8030 14511.1524 256.4335 -203602.2857 2763.5323 0.0000 0.0000 52129.1063 -109512.9581 299.5867 -161642.0644 -109147.4962 298.8287 -52.8396 -33.7270 762313.0418 -6.2984 -6.3646 PRESSURE: 4664800 19.6678 -36.1168 -134.345 -36.1165 -54.1081 131.059 -134.344 131.058 162.486 GPRESSURE: 4664800 114.764 -86.7986 -105.925 -50.0497 -33.9472 193.953 -39.1643 -47.5395 153.219 PRESSAVG: 4664800 22.4261 -33.0677 26.5308 -33.0677 -10.9636 19.4292 26.5308 19.4291 -3.75517 GPRESSAVG: 4664800 21.4384 -35.136 25.9377 -33.3843 -10.9261 20.1064 27.6925 19.5483 -3.34395 TIMING: 4664800 CPU: 14750.2, 0.00318454/step Wall: 14750.2, 0.00318454/step, 0.296516 hours remaining, 236.476562 MB of memory in use. ENERGY: 4664800 4025.7269 20639.9492 14477.0258 241.3333 -203223.5948 2445.7001 0.0000 0.0000 51696.4737 -109697.3858 297.1003 -161393.8595 -109336.4195 298.8871 42.6818 78.0120 761381.2516 2.5691 2.3894 PRESSURE: 4665000 -3.18072 -48.1394 -7.58955 -48.1397 -151.847 48.3489 -7.58982 48.3504 243.191 GPRESSURE: 4665000 -17.8103 0.652487 64.596 -26.6723 -7.10216 48.6395 -120.06 41.3965 209.414 PRESSAVG: 4665000 3.04742 13.3795 -5.29008 13.3794 -13.3691 -4.69845 -5.29012 -4.69848 -15.4813 GPRESSAVG: 4665000 4.13371 13.8301 -6.41791 12.6203 -14.7126 -6.39145 -6.14045 -4.0538 -15.6862 TIMING: 4665000 CPU: 14750.8, 0.00317244/step Wall: 14750.8, 0.00317244/step, 0.295213 hours remaining, 236.476562 MB of memory in use. ENERGY: 4665000 3936.8660 20662.5430 14463.8852 256.9055 -203473.7734 2606.5621 0.0000 0.0000 52184.4549 -109362.5568 299.9048 -161547.0117 -108991.1249 298.7201 29.3878 61.5004 761789.1201 -8.6010 -8.7550 PRESSURE: 4665200 -117.714 -115.227 134.191 -115.227 -17.3603 15.8127 134.191 15.8133 -198.954 GPRESSURE: 4665200 -65.9094 -104.154 145.435 -107.564 -16.461 52.3778 49.3989 -96.2809 -174.963 PRESSAVG: 4665200 -7.53253 -9.35732 24.6973 -9.3573 55.5287 24.7482 24.6974 24.7482 -3.36108 GPRESSAVG: 4665200 -10.6706 -9.32394 24.542 -8.81212 56.8372 25.9276 23.5771 24.0752 -2.32323 TIMING: 4665200 CPU: 14751.5, 0.00320526/step Wall: 14751.5, 0.00320526/step, 0.298089 hours remaining, 236.476562 MB of memory in use. ENERGY: 4665200 4020.9345 20619.4023 14525.3080 253.8770 -202995.2729 2400.6525 0.0000 0.0000 51955.6638 -109219.4348 298.5899 -161175.0987 -108873.6782 299.4876 -111.3430 -85.7778 761012.2826 14.8784 14.6144 PRESSURE: 4665400 -235.566 -80.2568 166.404 -80.2563 45.6793 -137.998 166.404 -137.998 -366.616 GPRESSURE: 4665400 -201.438 -58.4345 162.884 -21.2752 72.8466 -100.851 90.2511 -138.549 -336.713 PRESSAVG: 4665400 62.0904 -36.2656 23.2927 -36.2656 -22.0127 12.5761 23.2927 12.576 2.33319 GPRESSAVG: 4665400 63.0401 -35.3601 25.8032 -34.5358 -21.7133 12.0651 21.7294 13.5814 1.35788 TIMING: 4665400 CPU: 14752.1, 0.00321087/step Wall: 14752.1, 0.00321087/step, 0.298432 hours remaining, 236.476562 MB of memory in use. ENERGY: 4665400 4011.8727 20565.6339 14401.8657 228.6351 -202751.8722 2158.0106 0.0000 0.0000 52029.4871 -109356.3671 299.0142 -161385.8542 -108996.9538 299.5559 -185.5011 -155.1016 762461.5915 14.1370 14.2282 PRESSURE: 4665600 -264.859 142.871 -144.716 142.869 -162.52 -80.1499 -144.716 -80.1499 -387.036 GPRESSURE: 4665600 -200.495 112 -141.337 29.0111 -196.116 -138.129 -34.5558 -81.9418 -326.333 PRESSAVG: 4665600 10.2054 -19.1114 -22.3393 -19.1114 -28.2312 -25.8331 -22.3393 -25.8331 3.67662 GPRESSAVG: 4665600 11.9367 -18.9061 -23.2051 -19.9446 -30.1109 -24.4571 -20.3045 -26.77 4.22186 TIMING: 4665600 CPU: 14752.7, 0.00319964/step Wall: 14752.7, 0.00319964/step, 0.297211 hours remaining, 236.476562 MB of memory in use. ENERGY: 4665600 4013.8524 20608.4075 14446.7737 245.1042 -203190.0659 2435.7451 0.0000 0.0000 52108.2507 -109331.9322 299.4668 -161440.1830 -108971.8934 299.4796 -271.4715 -240.9818 762971.1371 -4.7831 -4.6508 PRESSURE: 4665800 -276.721 33.7375 -25.0741 33.7379 -89.2168 182.409 -25.074 182.408 271.989 GPRESSURE: 4665800 -96.1121 -50.7126 -60.8331 28.3679 -164.701 151.217 12.8456 191.404 254.814 PRESSAVG: 4665800 27.2988 25.0541 23.5715 25.054 -28.5569 -12.376 23.5715 -12.376 10.8878 GPRESSAVG: 4665800 26.5639 26.9507 23.6141 22.9461 -27.6597 -12.4342 23.3236 -11.9303 11.1016 TIMING: 4665800 CPU: 14753.4, 0.00320436/step Wall: 14753.4, 0.00320436/step, 0.297472 hours remaining, 236.476562 MB of memory in use. ENERGY: 4665800 3965.9370 20475.1061 14392.6347 254.2039 -203557.9210 2844.8356 0.0000 0.0000 52278.7015 -109346.5021 300.4464 -161625.2036 -108987.4671 299.5465 -31.3163 -1.9994 763472.3625 3.2099 3.3353 PRESSURE: 4666000 -122.422 -152.05 135.784 -152.05 -47.2612 -83.7844 135.785 -83.7839 152.119 GPRESSURE: 4666000 -34.897 -186.457 180.79 -81.513 -134.536 4.53852 38.0757 -61.2044 241.114 PRESSAVG: 4666000 26.5745 15.2721 13.3611 15.2721 -23.2463 -37.0403 13.3611 -37.0403 -7.14756 GPRESSAVG: 4666000 26.5794 14.4942 12.9342 17.6716 -24.2363 -37.2791 14.3691 -39.1715 -6.17535 TIMING: 4666000 CPU: 14754, 0.00320538/step Wall: 14754, 0.00320538/step, 0.297388 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: 4666000 3986.4637 20604.5352 14474.6304 249.4171 -203458.4814 2751.0182 0.0000 0.0000 52076.1355 -109316.2813 299.2823 -161392.4167 -108966.5197 298.9521 -5.8549 23.8939 762723.0064 -1.2731 -1.2774 PRESSURE: 4666200 -75.9699 -29.3728 -228.331 -29.373 -11.1375 -160.895 -228.331 -160.894 14.1112 GPRESSURE: 4666200 -114.072 -40.7084 -266.679 -23.3996 139.197 -87.1291 -146.359 -254.487 4.91745 PRESSAVG: 4666200 33.4386 -25.1619 5.388 -25.1619 4.44483 -32.4804 5.3881 -32.4804 6.49372 GPRESSAVG: 4666200 32.4113 -27.0704 3.78565 -24.0303 6.13378 -32.1456 6.90465 -30.6147 6.56996 TIMING: 4666200 CPU: 14754.7, 0.00319105/step Wall: 14754.7, 0.00319105/step, 0.295882 hours remaining, 236.476562 MB of memory in use. ENERGY: 4666200 4043.7996 20471.8947 14460.6030 234.7613 -203466.6688 2707.0249 0.0000 0.0000 52269.1246 -109279.4606 300.3914 -161548.5852 -108928.3409 299.4526 -24.3321 10.0143 762615.2801 14.7924 15.0383 PRESSURE: 4666400 44.283 199.508 302.899 199.508 -36.2444 -80.7815 302.898 -80.7815 -108.547 GPRESSURE: 4666400 68.366 210.31 310.986 256 5.81791 -152.277 184.826 -29.6751 -99.3744 PRESSAVG: 4666400 -4.15003 54.099 -17.8281 54.0989 -13.2738 -3.53152 -17.828 -3.53148 -22.3452 GPRESSAVG: 4666400 -3.93796 54.7116 -16.5854 51.2187 -14.7831 -3.14255 -22.1768 -4.82501 -21.5339 TIMING: 4666400 CPU: 14755.3, 0.00317671/step Wall: 14755.3, 0.00317671/step, 0.294376 hours remaining, 236.523438 MB of memory in use. ENERGY: 4666400 4005.8525 20537.9551 14416.4731 242.8879 -203576.5196 2827.3130 0.0000 0.0000 52243.8134 -109302.2246 300.2459 -161546.0380 -108949.3160 299.4758 -33.5029 -8.3968 762934.7783 -13.2563 -13.4183 PRESSURE: 4666600 79.9557 -138.373 112.863 -138.373 228.963 285.998 112.862 285.998 0.864982 GPRESSURE: 4666600 148.124 -139.294 39.985 -171.336 168.105 197.392 186.413 95.6726 68.0788 PRESSAVG: 4666600 16.3241 1.00132 10.2799 1.00136 -21.6206 -7.2561 10.2799 -7.25609 -1.48775 GPRESSAVG: 4666600 16.0832 0.860545 10.6839 1.55094 -19.9851 -8.45279 12.9616 -7.73326 -3.08888 TIMING: 4666600 CPU: 14755.9, 0.0031901/step Wall: 14755.9, 0.0031901/step, 0.295438 hours remaining, 236.523438 MB of memory in use. ENERGY: 4666600 3996.3602 20447.3986 14432.3092 253.3078 -203471.8947 2909.4134 0.0000 0.0000 52054.7936 -109378.3120 299.1596 -161433.1056 -109017.8521 299.2832 103.2611 128.1028 764133.7206 -2.2614 -2.3303 PRESSURE: 4666800 157.184 -4.01875 -109.384 -4.01778 -273.267 88.3101 -109.384 88.3114 65.2047 GPRESSURE: 4666800 163.622 -8.33308 -268.043 -66.1294 -268.125 173.56 16.3967 -24.0501 136.714 PRESSAVG: 4666800 11.5828 -0.821459 -25.8587 -0.821413 -25.0636 -40.7294 -25.8586 -40.7295 19.2428 GPRESSAVG: 4666800 11.9718 -0.362879 -26.6463 -0.403889 -24.9405 -39.897 -27.3559 -39.8881 18.2968 TIMING: 4666800 CPU: 14756.6, 0.0031818/step Wall: 14756.6, 0.0031818/step, 0.294493 hours remaining, 236.523438 MB of memory in use. ENERGY: 4666800 4039.9772 20490.3729 14295.3474 250.6477 -203379.6780 2797.3769 0.0000 0.0000 52256.9206 -109249.0352 300.3212 -161505.9558 -108882.2694 299.2831 -16.9595 10.7370 764217.0885 1.9207 1.7760 PRESSURE: 4667000 -87.2888 -68.4655 44.3838 -68.4652 45.7293 -60.2183 44.3833 -60.2183 490.916 GPRESSURE: 4667000 -21.1904 73.9163 -34.7025 -36.1392 125.027 70.0322 76.6806 -2.51884 441.782 PRESSAVG: 4667000 -18.9454 -38.2521 14.8829 -38.2522 1.57366 -30.0024 14.8829 -30.0025 18.3999 GPRESSAVG: 4667000 -18.5751 -38.0909 16.3452 -38.2174 -0.0120426 -29.7796 14.8578 -26.8088 20.15 TIMING: 4667000 CPU: 14757.2, 0.00317687/step Wall: 14757.2, 0.00317687/step, 0.293861 hours remaining, 236.523438 MB of memory in use. ENERGY: 4667000 3921.2368 20582.1976 14374.8871 245.3854 -203487.7119 2962.1018 0.0000 0.0000 52244.5952 -109157.3080 300.2504 -161401.9033 -108788.1746 299.9398 149.7857 181.8728 762287.8368 0.3427 0.5209 PRESSURE: 4667200 -395.857 -25.2543 6.39714 -25.2554 -212.885 63.5662 6.39651 63.5667 -529.805 GPRESSURE: 4667200 -368.281 -61.373 -41.4497 16.9948 -182.985 87.6942 32.3864 135.891 -513.343 PRESSAVG: 4667200 -76.5838 -23.3965 -43.5646 -23.3966 53.8205 6.04393 -43.5645 6.04394 6.13109 GPRESSAVG: 4667200 -77.762 -22.693 -45.1057 -22.6827 55.1639 5.94319 -42.7764 3.90696 5.14263 TIMING: 4667200 CPU: 14757.8, 0.00318691/step Wall: 14757.8, 0.00318691/step, 0.294612 hours remaining, 236.523438 MB of memory in use. ENERGY: 4667200 4002.7283 20558.6646 14335.3768 249.3534 -203368.1945 2728.1751 0.0000 0.0000 52415.0651 -109078.8312 301.2301 -161493.8964 -108720.5891 299.7323 -379.5156 -354.8700 762604.7170 -5.5440 -5.8185 PRESSURE: 4667400 181.599 -140.308 -47.074 -140.309 -146.495 -114.669 -47.0744 -114.669 -232.373 GPRESSURE: 4667400 158.791 -48.8391 -91.4772 -176.094 -66.4806 -120.153 26.8262 -75.5942 -218.418 PRESSAVG: 4667400 -0.236663 13.7957 13.431 13.7958 -14.2018 -39.1199 13.4311 -39.1198 9.32761 GPRESSAVG: 4667400 -0.271486 11.2324 15.4095 14.9364 -14.5523 -38.4779 11.4484 -42.2682 9.67475 TIMING: 4667400 CPU: 14758.5, 0.00317601/step Wall: 14758.5, 0.00317601/step, 0.293428 hours remaining, 236.523438 MB of memory in use. ENERGY: 4667400 4069.5126 20428.3350 14475.5689 249.1241 -203299.6875 2704.0416 0.0000 0.0000 52065.2747 -109307.8306 299.2198 -161373.1054 -108943.1031 299.8538 -65.7565 -42.0358 762010.3688 -1.7036 -1.7163 PRESSURE: 4667600 -81.8178 -186.115 -86.0453 -186.114 -229.313 -316.526 -86.0448 -316.527 36.5194 GPRESSURE: 4667600 -87.4052 -55.1184 -63.4252 -152.074 -187.084 -334.239 -3.57901 -146.069 80.7775 PRESSAVG: 4667600 20.1704 -10.6262 -8.56165 -10.6262 -42.6474 -0.116812 -8.56165 -0.11678 23.9747 GPRESSAVG: 4667600 22.1123 -10.6659 -10.2838 -13.2879 -43.7283 -0.848837 -6.92486 1.03148 23.5516 TIMING: 4667600 CPU: 14759.1, 0.00317533/step Wall: 14759.1, 0.00317533/step, 0.293189 hours remaining, 236.507812 MB of memory in use. ENERGY: 4667600 3991.0014 20610.6296 14445.2934 263.5488 -203149.6939 2433.9689 0.0000 0.0000 52011.0878 -109394.1640 298.9084 -161405.2518 -109030.0166 299.2080 -91.5373 -64.5706 762950.9783 0.4992 0.6452 PRESSURE: 4667800 -105.975 11.867 254.916 11.8669 -135.571 47.4062 254.915 47.4049 -19.637 GPRESSURE: 4667800 -1.84534 51.2642 246.962 -132.895 -137.959 62.0477 104.162 -50.3576 -49.4085 PRESSAVG: 4667800 -59.7122 -17.8449 -35.2936 -17.8448 24.9798 2.83162 -35.2937 2.83153 -15.7489 GPRESSAVG: 4667800 -61.0064 -17.4802 -34.7809 -17.1787 25.4817 1.75093 -35.3516 4.14987 -15.7082 TIMING: 4667800 CPU: 14759.8, 0.00318904/step Wall: 14759.8, 0.00318904/step, 0.294277 hours remaining, 236.507812 MB of memory in use. ENERGY: 4667800 3985.1256 20599.2276 14495.9792 240.9885 -203183.0678 2648.7271 0.0000 0.0000 51935.7067 -109277.3131 298.4752 -161213.0198 -108916.1646 298.9771 -87.0609 -63.0708 764630.9218 -16.8271 -17.0776 PRESSURE: 4668000 235.287 -35.1195 -280.757 -35.119 -178.839 -24.7054 -280.757 -24.706 -182.03 GPRESSURE: 4668000 191.398 -121.499 -253.014 -45.5297 -138.206 -54.7446 -123.911 -5.10053 -86.6892 PRESSAVG: 4668000 -3.70894 -23.9682 -23.7073 -23.9683 -28.2583 8.17298 -23.7074 8.17291 18.589 GPRESSAVG: 4668000 -4.59521 -22.9454 -24.083 -23.6332 -27.9615 8.20496 -22.998 6.78653 19.3507 TIMING: 4668000 CPU: 14760.4, 0.00319732/step Wall: 14760.4, 0.00319732/step, 0.294864 hours remaining, 236.507812 MB of memory 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 3997.7978 20602.9933 14476.5877 252.3399 -203500.9853 2750.9584 0.0000 0.0000 51859.5015 -109560.8067 298.0373 -161420.3082 -109206.8435 298.6311 -41.8608 -11.1658 763425.9437 -4.4594 -4.4020 PRESSURE: 4668200 -348.325 77.3891 9.74742 77.3888 -323.828 144.722 9.74723 144.722 20.1265 GPRESSURE: 4668200 -305.072 40.0643 6.44455 78.4746 -268.48 147.73 20.5725 154.22 -11.4323 PRESSAVG: 4668200 60.1336 -41.6242 1.76348 -41.6242 -4.55378 -53.779 1.76344 -53.779 -8.79384 GPRESSAVG: 4668200 60.7569 -40.1183 2.03202 -44.1795 -4.14122 -52.9691 1.12026 -54.9296 -8.72042 TIMING: 4668200 CPU: 14761, 0.00319701/step Wall: 14761, 0.00319701/step, 0.294658 hours remaining, 236.523438 MB of memory in use. ENERGY: 4668200 3955.4818 20737.9219 14454.8858 260.8238 -203559.5831 2790.4058 0.0000 0.0000 52001.5040 -109358.5600 298.8534 -161360.0640 -109001.3245 298.2017 -217.3422 -194.9948 764867.8694 15.5953 15.9651 LDB: ============= START OF LOAD BALANCING ============== 14773.6 LDB: ============== END OF LOAD BALANCING =============== 14773.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14773.6 LDB: ============= START OF LOAD BALANCING ============== 14773.9 LDB: Largest compute 7077 load 0.033099 is 16.9% of average load 0.195609 LDB: Average compute 0.004379 is 2.2% of average load 0.195609 LDB: TIME 14773.9 LOAD: AVG 0.195609 MAX 0.216927 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.137 MB LDB: TIME 14773.9 LOAD: AVG 0.195609 MAX 0.216927 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.207 MB LDB: TIME 14773.9 LOAD: AVG 0.195609 MAX 0.216927 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.207 MB LDB: ============== END OF LOAD BALANCING =============== 14773.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14773.9 PRESSURE: 4668400 371.073 159.847 -58.7501 159.848 377.08 -111.227 -58.7499 -111.228 -347.487 GPRESSURE: 4668400 545.14 60.92 -67.2762 317.824 261.058 -56.5295 -98.4892 -148.373 -324.272 PRESSAVG: 4668400 20.1822 -2.02473 33.2117 -2.02474 22.536 -52.9647 33.2116 -52.9647 -18.2235 GPRESSAVG: 4668400 20.9116 -2.2918 34.0688 -2.24359 21.8924 -51.9898 33.6605 -51.3246 -17.9362 TIMING: 4668400 CPU: 14761.7, 0.0032894/step Wall: 14761.7, 0.0032894/step, 0.30299 hours remaining, 235.703125 MB of memory in use. ENERGY: 4668400 4046.3730 20596.9452 14491.7989 238.4278 -203869.8534 3063.5539 0.0000 0.0000 52020.3627 -109412.3918 298.9617 -161432.7545 -109043.0394 298.9536 133.5552 160.6420 764151.4635 8.1649 8.2893 PRESSURE: 4668600 31.1827 -18.0763 -165.266 -18.0759 -45.7985 -173.378 -165.266 -173.378 -55.865 GPRESSURE: 4668600 84.0425 -9.15635 -231.599 8.91752 -51.3869 -275.845 -72.7987 -210.337 -34.2651 PRESSAVG: 4668600 46.3115 -41.864 22.4295 -41.864 -23.3478 -51.6163 22.4295 -51.6163 -8.41162 GPRESSAVG: 4668600 46.1285 -43.5204 22.8291 -39.8912 -23.1001 -53.6259 22.4645 -51.2136 -9.11816 TIMING: 4668600 CPU: 14762.3, 0.00319174/step Wall: 14762.3, 0.00319174/step, 0.293817 hours remaining, 236.421875 MB of memory in use. ENERGY: 4668600 3948.1914 20539.5103 14548.9822 238.5848 -203481.9901 2749.4237 0.0000 0.0000 52207.3444 -109249.9531 300.0363 -161457.2975 -108889.2407 298.6468 -23.4936 -0.5365 762827.6786 4.8507 4.6368 PRESSURE: 4668800 78.2365 -59.1248 -134.54 -59.1247 272.256 -32.5603 -134.541 -32.5607 -15.8913 GPRESSURE: 4668800 128.276 -162.979 -122.868 2.64473 304.064 77.6994 -157.667 -72.423 -33.3961 PRESSAVG: 4668800 0.742944 -7.52191 19.8216 -7.52195 22.4378 -3.99323 19.8216 -3.99321 -9.24277 GPRESSAVG: 4668800 0.348233 -7.06088 21.2362 -7.77047 22.1818 -2.66855 18.0636 -4.86928 -8.66738 TIMING: 4668800 CPU: 14763, 0.00322075/step Wall: 14763, 0.00322075/step, 0.296309 hours remaining, 236.582031 MB of memory in use. ENERGY: 4668800 4100.0582 20388.6233 14516.3758 262.7374 -203832.5397 3163.5590 0.0000 0.0000 51952.2293 -109448.9567 298.5702 -161401.1860 -109096.3706 298.9507 111.5337 132.9813 762631.4085 4.6460 4.6209 PRESSURE: 4669000 66.9813 -219.658 130.171 -219.658 -83.1157 110.127 130.171 110.127 179.674 GPRESSURE: 4669000 96.9567 -46.7591 59.1739 -73.9725 -55.9261 95.9968 102.657 -10.1468 215.534 PRESSAVG: 4669000 -41.8576 -73.7503 -8.55499 -73.7502 32.6276 -52.8193 -8.55494 -52.8193 15.2361 GPRESSAVG: 4669000 -41.1939 -72.8079 -10.2497 -75.9523 32.3085 -52.1704 -7.40966 -50.8084 14.6109 TIMING: 4669000 CPU: 14763.6, 0.00319814/step Wall: 14763.6, 0.00319814/step, 0.294052 hours remaining, 236.582031 MB of memory in use. ENERGY: 4669000 4035.9691 20415.0809 14445.7504 232.4777 -203454.2808 2646.3377 0.0000 0.0000 52303.0365 -109375.6285 300.5863 -161678.6650 -109004.7367 299.5385 54.5133 85.5216 763250.6963 2.0021 1.9085 PRESSURE: 4669200 128.773 -213.781 61.4232 -213.781 -77.9445 -67.2505 61.4229 -67.2495 79.8382 GPRESSURE: 4669200 128.334 -181.114 59.825 -250.773 38.7529 -78.5475 79.1888 0.228372 38.5573 PRESSAVG: 4669200 47.2349 -23.0594 27.4153 -23.0595 -11.7757 41.9436 27.4153 41.9435 -14.8539 GPRESSAVG: 4669200 45.9596 -24.6754 27.7878 -20.7348 -10.7266 42.4242 26.0841 39.7059 -14.4584 TIMING: 4669200 CPU: 14764.2, 0.00317283/step Wall: 14764.2, 0.00317283/step, 0.291547 hours remaining, 236.582031 MB of memory in use. ENERGY: 4669200 4002.0986 20695.8388 14536.9000 262.5261 -203642.3532 2873.8192 0.0000 0.0000 52197.0300 -109074.1405 299.9770 -161271.1705 -108724.6540 299.8892 43.5557 68.5480 761567.3563 6.8684 6.9248 PRESSURE: 4669400 249.627 68.6936 -33.7058 68.6936 326.833 398.789 -33.7056 398.788 225.17 GPRESSURE: 4669400 318.941 16.9668 -17.6623 14.4665 306.924 344.542 -1.99087 287.076 234.054 PRESSAVG: 4669400 28.4317 -22.2485 -17.5633 -22.2484 -47.3492 -24.3449 -17.5633 -24.3449 40.8154 GPRESSAVG: 4669400 29.2438 -21.2528 -18.4416 -24.5378 -48.0008 -22.2291 -16.6529 -25.9614 40.869 TIMING: 4669400 CPU: 14764.9, 0.00316414/step Wall: 14764.9, 0.00316414/step, 0.290573 hours remaining, 236.582031 MB of memory in use. ENERGY: 4669400 3970.0069 20598.2056 14516.5733 253.8779 -203501.5431 2919.6118 0.0000 0.0000 52118.0110 -109125.2566 299.5229 -161243.2676 -108760.2585 299.9962 267.2100 286.6395 763547.5765 7.2993 7.3707 PRESSURE: 4669600 -211.401 209.86 95.4888 209.86 190.501 89.0434 95.4885 89.0439 2.16766 GPRESSURE: 4669600 -167.155 280.46 117.072 141.386 186.358 93.9572 -11.5929 103.306 36.4073 PRESSAVG: 4669600 55.5497 33.7502 -36.0949 33.7502 -46.0348 -19.1321 -36.0949 -19.132 -15.1956 GPRESSAVG: 4669600 55.8462 32.8264 -36.9269 36.3073 -46.3098 -20.4357 -36.7399 -18.0516 -15.4586 TIMING: 4669600 CPU: 14765.5, 0.00315317/step Wall: 14765.5, 0.00315317/step, 0.289391 hours remaining, 236.582031 MB of memory in use. ENERGY: 4669600 3985.7166 20468.3513 14467.9658 234.3779 -202854.1458 2462.1566 0.0000 0.0000 51906.6570 -109328.9208 298.3083 -161235.5778 -108967.4013 299.0841 -6.2442 18.5370 763075.0163 -1.8936 -1.9741 PRESSURE: 4669800 166.185 252.762 105.057 252.763 53.2218 120.257 105.057 120.257 -24.11 GPRESSURE: 4669800 184.973 223.753 10.0158 189.888 85.0036 39.8672 102.057 150.426 3.60792 PRESSAVG: 4669800 30.6519 -41.5604 -30.8787 -41.5604 -61.8499 43.104 -30.8786 43.1039 -3.71322 GPRESSAVG: 4669800 29.3745 -40.3853 -32.2218 -41.9476 -61.7673 41.9256 -30.4318 42.1145 -2.526 TIMING: 4669800 CPU: 14766.1, 0.00318242/step Wall: 14766.1, 0.00318242/step, 0.291899 hours remaining, 236.582031 MB of memory in use. ENERGY: 4669800 3886.2705 20571.0680 14561.1431 234.6559 -203489.4256 2762.1803 0.0000 0.0000 52083.3503 -109390.7576 299.3237 -161474.1079 -109034.1382 298.5890 65.0989 91.1947 762446.6247 -11.6371 -11.6396 PRESSURE: 4670000 -70.7877 -3.94411 -13.7418 -3.94454 -227.749 -84.3495 -13.7415 -84.3496 438.75 GPRESSURE: 4670000 -24.3241 29.766 37.3292 -37.3687 -237.756 -42.5443 -135.659 -134.141 488.593 PRESSAVG: 4670000 45.88 -7.98783 7.20879 -7.98785 -57.7009 35.8822 7.20875 35.8822 -15.7559 GPRESSAVG: 4670000 45.9235 -6.94057 10.485 -10.0027 -58.5847 35.7511 6.2283 37.8246 -15.1248 TIMING: 4670000 CPU: 14766.8, 0.00317226/step Wall: 14766.8, 0.00317226/step, 0.29079 hours remaining, 236.582031 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: 4670000 3906.0866 20443.9543 14473.4754 245.2214 -203320.8474 2539.7717 0.0000 0.0000 52221.7316 -109490.6064 300.1190 -161712.3380 -109113.5580 298.7136 46.7379 75.5045 761405.0134 -9.1923 -9.2620 PRESSURE: 4670200 262.347 129.795 -289.423 129.796 -76.9934 -244.235 -289.423 -244.235 287.718 GPRESSURE: 4670200 363.762 -5.45249 -296.469 32.0326 -141.369 -138.04 -250.962 -214.746 338.734 PRESSAVG: 4670200 27.2111 1.23988 43.7322 1.23992 -27.0878 -45.209 43.7321 -45.209 3.14987 GPRESSAVG: 4670200 26.9726 -3.15643 43.4408 2.71683 -26.4226 -44.3491 44.8323 -45.6627 2.00767 TIMING: 4670200 CPU: 14767.4, 0.00319701/step Wall: 14767.4, 0.00319701/step, 0.292881 hours remaining, 236.582031 MB of memory in use. ENERGY: 4670200 3895.5163 20713.0849 14530.2459 249.5219 -203340.7358 2788.1611 0.0000 0.0000 51950.2880 -109213.9177 298.5590 -161164.2057 -108853.8830 299.1012 157.6906 187.0424 761892.8178 1.0911 0.8526 PRESSURE: 4670400 123.033 -194.141 15.2384 -194.141 -199.056 76.1081 15.2386 76.1075 -341.737 GPRESSURE: 4670400 169.614 -100.684 34.9676 -187.132 -115.363 61.4377 105.603 49.4757 -407.615 PRESSAVG: 4670400 9.37068 -32.869 -5.09014 -32.8689 -63.4197 -14.0043 -5.09014 -14.0042 -9.08359 GPRESSAVG: 4670400 9.69317 -29.6538 -6.38639 -33.7164 -63.1888 -15.0764 -2.5169 -14.6982 -9.6456 TIMING: 4670400 CPU: 14768.1, 0.00320432/step Wall: 14768.1, 0.00320432/step, 0.293374 hours remaining, 236.582031 MB of memory in use. ENERGY: 4670400 4010.8582 20762.3722 14511.8101 237.8347 -203506.7471 2768.2195 0.0000 0.0000 52047.8361 -109167.8163 299.1196 -161215.6524 -108811.8095 299.0626 -139.2532 -117.7880 763077.6524 -21.0442 -21.0471 PRESSURE: 4670600 102.731 -181.453 125.604 -181.452 -47.8981 -206.035 125.604 -206.035 250.026 GPRESSURE: 4670600 148.779 -89.4426 52.4549 -163.813 -24.1666 -142.724 141.108 -138.423 260.822 PRESSAVG: 4670600 -9.35237 -1.9199 16.0703 -1.91991 -0.992778 28.3891 16.0704 28.3891 0.758637 GPRESSAVG: 4670600 -9.70659 -2.16928 17.0069 -0.259232 -0.546524 27.5477 15.9576 30.2953 0.622003 TIMING: 4670600 CPU: 14768.7, 0.00319056/step Wall: 14768.7, 0.00319056/step, 0.291936 hours remaining, 236.582031 MB of memory in use. ENERGY: 4670600 3996.6240 20839.7435 14432.4428 235.1052 -203396.8501 2728.8126 0.0000 0.0000 52031.0111 -109133.1108 299.0229 -161164.1219 -108774.7874 299.5279 101.6197 128.4782 762512.2217 -3.1955 -3.2104 PRESSURE: 4670800 -145.085 21.5501 168.665 21.5512 -360.323 -207.97 168.664 -207.969 32.9709 GPRESSURE: 4670800 -90.867 11.2428 65.2025 65.0227 -317.891 -255.577 179.869 -286.732 28.2997 PRESSAVG: 4670800 -31.6822 -35.2364 -47.8696 -35.2364 11.3936 6.41123 -47.8696 6.41122 -4.98671 GPRESSAVG: 4670800 -32.208 -34.96 -48.074 -34.6637 11.3979 8.72839 -49.0128 5.58324 -4.52986 TIMING: 4670800 CPU: 14769.3, 0.00319221/step Wall: 14769.3, 0.00319221/step, 0.291909 hours remaining, 236.582031 MB of memory in use. ENERGY: 4670800 4019.4128 20463.4074 14503.9669 214.9673 -202993.3850 2699.5650 0.0000 0.0000 51894.9841 -109197.0816 298.2412 -161092.0658 -108826.4726 299.2560 -157.4789 -126.8193 764539.2767 -8.4251 -8.4467 PRESSURE: 4671000 -74.2764 36.4467 29.7404 36.4472 -247.169 -45.9434 29.7415 -45.9428 152.764 GPRESSURE: 4671000 98.0401 -56.318 68.8409 36.0783 -249.604 -82.6717 -13.2652 -93.1863 80.3202 PRESSAVG: 4671000 14.8211 18.91 6.71104 18.91 3.31964 -41.9784 6.71109 -41.9784 22.2357 GPRESSAVG: 4671000 16.7286 17.0037 7.15162 16.6518 2.32424 -43.9213 6.83889 -43.962 21.4476 TIMING: 4671000 CPU: 14770, 0.00319541/step Wall: 14770, 0.00319541/step, 0.292025 hours remaining, 236.582031 MB of memory in use. ENERGY: 4671000 3962.3063 20561.1784 14546.9653 257.5437 -203416.1098 2838.3581 0.0000 0.0000 52147.8784 -109101.8795 299.6946 -161249.7579 -108741.8678 299.1841 -56.2273 -23.7480 764292.5082 13.4588 13.5002 PRESSURE: 4671200 22.6977 -58.2122 84.3265 -58.212 24.7104 -163.816 84.3267 -163.816 -311.949 GPRESSURE: 4671200 -17.8182 -37.6894 127.87 24.7733 69.0999 -185.791 145.551 -117.285 -243.181 PRESSAVG: 4671200 -4.66079 -7.43514 6.15812 -7.43514 -5.01452 -17.8785 6.15802 -17.8785 -14.4053 GPRESSAVG: 4671200 -7.05587 -6.62302 5.297 -5.84979 -3.13259 -19.0343 5.75603 -15.32 -13.8211 TIMING: 4671200 CPU: 14770.6, 0.00318947/step Wall: 14770.6, 0.00318947/step, 0.291305 hours remaining, 236.582031 MB of memory in use. ENERGY: 4671200 4009.7375 20632.4607 14445.3731 271.2797 -203181.6300 2737.5585 0.0000 0.0000 52181.9888 -108903.2317 299.8906 -161085.2206 -108549.7382 299.5910 -88.1802 -63.9664 763099.8484 -8.0269 -8.0032 PRESSURE: 4671400 -76.2568 -154.085 116.049 -154.086 -240.293 -100.791 116.049 -100.792 350.49 GPRESSURE: 4671400 -34.3202 -128.825 62.9644 -32.6454 -161.061 -182.6 166.761 -22.1266 311.425 PRESSAVG: 4671400 12.3451 9.91109 -3.03511 9.91111 -39.5418 -16.6275 -3.03513 -16.6275 -7.37235 GPRESSAVG: 4671400 12.7888 9.55589 -4.31122 10.5368 -40.569 -15.4112 -2.13445 -17.6823 -6.70006 TIMING: 4671400 CPU: 14771.3, 0.00318436/step Wall: 14771.3, 0.00318436/step, 0.290661 hours remaining, 236.582031 MB of memory in use. ENERGY: 4671400 4040.2396 20553.7392 14502.7282 251.6313 -202627.4802 2382.2143 0.0000 0.0000 52154.7193 -108742.2083 299.7339 -160896.9276 -108387.6139 300.2007 11.3137 38.6811 762788.4407 -11.5230 -11.4934 PRESSURE: 4671600 -89.4442 -63.0566 199.318 -63.0566 10.4102 -76.1035 199.318 -76.104 21.7022 GPRESSURE: 4671600 -147.052 -157.687 231.498 -62.0612 72.1369 -21.6076 254.449 -131.615 115.699 PRESSAVG: 4671600 -25.7548 -19.0934 32.2119 -19.0935 -14.4814 -61.1613 32.2118 -61.1612 -4.11781 GPRESSAVG: 4671600 -26.1378 -20.1497 33.4847 -20.0162 -13.6297 -60.4124 32.2977 -60.4515 -4.10621 TIMING: 4671600 CPU: 14771.9, 0.00317673/step Wall: 14771.9, 0.00317673/step, 0.289788 hours remaining, 236.582031 MB of memory in use. ENERGY: 4671600 4002.8008 20432.5166 14595.2266 259.4902 -202711.2663 2559.1348 0.0000 0.0000 52311.1787 -108550.9185 300.6331 -160862.0972 -108195.1458 300.4654 -19.1106 13.5945 762750.6424 -14.7847 -14.6246 PRESSURE: 4671800 25.6502 163.616 270.409 163.616 -379.268 94.9551 270.41 94.9557 274.219 GPRESSURE: 4671800 145.607 -11.6999 358.243 133.579 -318.217 39.6005 288.915 58.7955 188.19 PRESSAVG: 4671800 44.3392 -50.1419 27.8614 -50.1419 -45.6959 16.0823 27.8615 16.0823 0.31591 GPRESSAVG: 4671800 45.133 -50.1528 28.4449 -51.6944 -45.3619 16.0125 28.3806 14.2327 -0.895674 TIMING: 4671800 CPU: 14772.5, 0.00317825/step Wall: 14772.5, 0.00317825/step, 0.28975 hours remaining, 236.582031 MB of memory in use. ENERGY: 4671800 3944.9047 20487.0034 14570.3542 269.5823 -202857.5463 2455.4406 0.0000 0.0000 52374.6494 -108755.6118 300.9978 -161130.2611 -108393.6057 301.1811 -26.4664 5.1934 762010.0406 -0.3469 -0.3749 PRESSURE: 4672000 -476.112 46.3922 -144.277 46.3925 120.088 -228.633 -144.276 -228.633 104.41 GPRESSURE: 4672000 -387.211 -0.370239 -49.0965 186.124 96.3206 -153.248 -198.342 -214.274 132.782 PRESSAVG: 4672000 -45.5403 -29.1085 -4.42615 -29.1085 42.3486 -22.3261 -4.42621 -22.3261 -11.3479 GPRESSAVG: 4672000 -45.3946 -26.8701 -4.89112 -29.3999 42.471 -22.1272 -5.69979 -20.767 -12.1907 TIMING: 4672000 CPU: 14773.2, 0.00317718/step Wall: 14773.2, 0.00317718/step, 0.289477 hours remaining, 236.582031 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: 4672000 3981.8302 20372.2095 14488.1172 248.0995 -203125.4965 2676.4867 0.0000 0.0000 52363.6862 -108995.0673 300.9348 -161358.7535 -108625.4992 300.2726 -83.8716 -52.7029 762459.3558 -4.8466 -5.0381 PRESSURE: 4672200 -241.436 -117.334 -36.8886 -117.334 -258 387.343 -36.8897 387.342 -356.574 GPRESSURE: 4672200 -198.738 -40.639 -195.172 -72.3058 -201.812 339.301 6.07197 310.944 -358.221 PRESSAVG: 4672200 -32.7015 -30.1953 -13.4872 -30.1952 11.5024 50.9571 -13.4873 50.9571 -6.00078 GPRESSAVG: 4672200 -32.8092 -31.3275 -13.6416 -29.414 10.3748 49.2991 -12.1302 50.3378 -5.10319 TIMING: 4672200 CPU: 14773.8, 0.00315058/step Wall: 14773.8, 0.00315058/step, 0.286878 hours remaining, 236.582031 MB of memory in use. ENERGY: 4672200 4047.4272 20526.9710 14551.6495 227.1608 -203305.7473 2825.2731 0.0000 0.0000 52172.3395 -108954.9261 299.8352 -161127.2656 -108593.3584 299.7530 -285.3365 -252.9237 763008.1426 -9.0666 -9.1792 LDB: ============= START OF LOAD BALANCING ============== 14786.3 LDB: ============== END OF LOAD BALANCING =============== 14786.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14786.3 LDB: ============= START OF LOAD BALANCING ============== 14786.6 LDB: Largest compute 7077 load 0.034346 is 17.6% of average load 0.195549 LDB: Average compute 0.004392 is 2.2% of average load 0.195549 LDB: TIME 14786.6 LOAD: AVG 0.195549 MAX 0.216838 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.387 MB LDB: TIME 14786.6 LOAD: AVG 0.195549 MAX 0.216838 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: TIME 14786.7 LOAD: AVG 0.195549 MAX 0.216838 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.59 MB LDB: ============== END OF LOAD BALANCING =============== 14786.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14786.7 PRESSURE: 4672400 347.094 -113.256 49.463 -113.256 139.6 -264.105 49.463 -264.106 -96.5868 GPRESSURE: 4672400 363.498 -58.9269 68.286 -128.051 197.968 -293.91 3.97985 -192.36 -80.9626 PRESSAVG: 4672400 74.0916 -41.5444 -67.9848 -41.5443 -49.2831 12.8206 -67.9848 12.8205 8.3132 GPRESSAVG: 4672400 74.1647 -40.9158 -67.1557 -41.9803 -49.4451 13.1804 -67.6994 12.6318 8.23401 TIMING: 4672400 CPU: 14774.4, 0.00326443/step Wall: 14774.4, 0.00326443/step, 0.297063 hours remaining, 236.277344 MB of memory in use. ENERGY: 4672400 3898.2057 20561.5081 14503.2906 259.1476 -202742.5834 2683.6489 0.0000 0.0000 51962.5475 -108874.2349 298.6295 -160836.7824 -108511.7280 299.9934 130.0358 160.1680 761974.8593 11.0406 10.9845 PRESSURE: 4672600 16.8624 150.148 -47.022 150.148 461.629 27.7651 -47.0243 27.7649 219.896 GPRESSURE: 4672600 86.9147 212.285 -54.6991 164.951 418.85 86.2425 30.1116 128.809 279.895 PRESSAVG: 4672600 -24.3189 -2.26541 -5.97965 -2.26539 -14.3346 -17.7179 -5.97968 -17.7178 15.5233 GPRESSAVG: 4672600 -25.3857 -5.51895 -6.60338 -1.01692 -14.3027 -16.6805 -6.529 -17.115 16.1807 TIMING: 4672600 CPU: 14775.1, 0.00318334/step Wall: 14775.1, 0.00318334/step, 0.289507 hours remaining, 236.480469 MB of memory in use. ENERGY: 4672600 4004.1934 20395.7148 14509.5687 267.0815 -203243.1254 2988.3356 0.0000 0.0000 52374.2564 -108703.9750 300.9956 -161078.2313 -108348.0607 299.6525 232.7960 261.8868 762497.9619 -7.7101 -7.8359 PRESSURE: 4672800 -241.435 -65.8893 -143.152 -65.8891 176.747 97.5698 -143.152 97.5707 216.44 GPRESSURE: 4672800 -133.813 -103.619 0.333296 -48.0151 137.538 44.4068 -131.282 62.3077 232.405 PRESSAVG: 4672800 -31.8466 29.7915 -12.9396 29.7915 -24.9305 -26.8345 -12.9397 -26.8345 -11.1253 GPRESSAVG: 4672800 -31.2983 32.2657 -12.8002 29.2511 -25.5512 -25.5455 -13.0854 -27.1291 -10.8732 TIMING: 4672800 CPU: 14775.7, 0.00318646/step Wall: 14775.7, 0.00318646/step, 0.289614 hours remaining, 236.480469 MB of memory in use. ENERGY: 4672800 3977.9347 20445.2904 14438.0980 245.7242 -203084.7108 2692.1874 0.0000 0.0000 52535.2825 -108750.1937 301.9210 -161285.4761 -108373.0302 300.3055 50.5842 78.7100 762285.5301 -22.6341 -22.5742 PRESSURE: 4673000 -40.6581 15.1555 -175.807 15.1562 -182.275 15.8615 -175.807 15.8616 89.0267 GPRESSURE: 4673000 59.8777 -75.1615 -171.635 -26.0186 -177.761 43.1387 -83.4504 -38.1319 63.9738 PRESSAVG: 4673000 -8.78276 -46.6758 -51.978 -46.6758 6.42052 46.135 -51.9779 46.1351 4.17119 GPRESSAVG: 4673000 -8.85961 -46.653 -52.1713 -47.9416 7.30339 45.0833 -50.177 45.4371 3.57103 TIMING: 4673000 CPU: 14776.3, 0.00316374/step Wall: 14776.3, 0.00316374/step, 0.287373 hours remaining, 236.480469 MB of memory in use. ENERGY: 4673000 3968.7403 20556.0307 14488.0517 247.9065 -202614.5245 2560.3463 0.0000 0.0000 52137.5473 -108655.9018 299.6352 -160793.4491 -108295.2606 300.5345 -44.6353 -17.9700 765276.4276 0.6030 0.6716 PRESSURE: 4673200 -162.058 -127.862 -225.923 -127.862 -103.983 153.043 -225.924 153.044 8.23347 GPRESSURE: 4673200 -198.378 -28.985 -135.029 -107.769 -22.0848 147.746 -309.48 311.862 55.5008 PRESSAVG: 4673200 42.5294 36.7836 -118.223 36.7836 -28.4358 37.7519 -118.223 37.7519 -6.21496 GPRESSAVG: 4673200 42.6395 35.9354 -118.856 38.3039 -28.8158 36.3026 -119.996 38.4497 -6.39644 TIMING: 4673200 CPU: 14777, 0.00318071/step Wall: 14777, 0.00318071/step, 0.288737 hours remaining, 236.519531 MB of memory in use. ENERGY: 4673200 3959.9028 20688.2557 14479.3007 236.0733 -202674.8623 2572.9315 0.0000 0.0000 52145.5930 -108592.8051 299.6814 -160738.3981 -108228.7208 300.5057 -85.9358 -54.9873 764387.7490 2.6262 2.4757 PRESSURE: 4673400 -279.239 41.1719 -3.39079 41.1725 -81.5269 215.775 -3.39029 215.776 116.068 GPRESSURE: 4673400 -216.404 20.2827 -11.1599 23.0071 -13.9795 115.727 9.00401 270.842 83.0564 PRESSAVG: 4673400 21.8395 -57.5104 -46.0582 -57.5103 -5.14156 1.93683 -46.0581 1.93687 -3.03657 GPRESSAVG: 4673400 22.2206 -57.8027 -44.1837 -58.5849 -5.44281 0.051275 -46.3077 3.82523 -3.70897 TIMING: 4673400 CPU: 14777.6, 0.0031926/step Wall: 14777.6, 0.0031926/step, 0.28964 hours remaining, 236.519531 MB of memory in use. ENERGY: 4673400 4078.3817 20348.8251 14518.6851 246.1721 -203066.3771 2739.7560 0.0000 0.0000 52501.2032 -108633.3540 301.7251 -161134.5572 -108274.3823 300.7311 -81.5658 -49.1090 764795.5533 4.5538 4.3563 PRESSURE: 4673600 -3.30392 -140.027 4.59541 -140.028 -393.256 -193.238 4.59552 -193.238 204.832 GPRESSURE: 4673600 92.3573 -147.274 5.63279 -129.771 -450.277 -206.741 21.2899 -166.262 253.092 PRESSAVG: 4673600 -8.17563 -51.228 -15.9491 -51.2281 -18.1481 27.0125 -15.9491 27.0125 -15.26 GPRESSAVG: 4673600 -8.24827 -50.6715 -16.9795 -52.2375 -17.9963 30.7732 -16.979 23.4817 -14.6914 TIMING: 4673600 CPU: 14778.3, 0.00315607/step Wall: 14778.3, 0.00315607/step, 0.28615 hours remaining, 236.589844 MB of memory in use. ENERGY: 4673600 3995.7651 20597.9777 14486.2988 255.7802 -203093.4872 2636.2311 0.0000 0.0000 52427.9433 -108693.4909 301.3041 -161121.4342 -108336.0519 301.1220 -63.9094 -34.9425 762550.0971 -13.8612 -13.6453 PRESSURE: 4673800 -402.888 62.8456 -223.197 62.8457 -62.4614 -87.8682 -223.197 -87.8691 -84.0852 GPRESSURE: 4673800 -408.431 160.494 -146.576 33.0878 -43.2709 -127.878 -89.8763 -97.7013 -4.51203 PRESSAVG: 4673800 36.7331 -29.9779 27.0928 -29.9779 -43.1393 43.7762 27.0928 43.7762 9.92547 GPRESSAVG: 4673800 36.4259 -28.4253 27.5528 -29.8862 -43.1075 42.7746 28.6311 44.3349 10.4397 TIMING: 4673800 CPU: 14778.9, 0.0031521/step Wall: 14778.9, 0.0031521/step, 0.285615 hours remaining, 236.589844 MB of memory in use. ENERGY: 4673800 4075.4263 20597.3290 14527.8326 243.5013 -203428.5358 2844.8702 0.0000 0.0000 52349.1107 -108790.4656 300.8511 -161139.5763 -108429.3595 300.4917 -183.1449 -152.0713 762635.6109 1.1731 1.2527 PRESSURE: 4674000 -80.486 -112.191 108.551 -112.192 170.167 -1.43618 108.55 -1.43601 431.167 GPRESSURE: 4674000 -37.7054 -130.126 74.6878 -16.2004 235.246 -4.75245 117.627 -148.104 408.847 PRESSAVG: 4674000 -19.2275 -94.6782 11.6866 -94.6782 0.282686 -16.9334 11.6867 -16.9334 5.36778 GPRESSAVG: 4674000 -19.1563 -95.8686 11.6258 -93.6073 0.955183 -16.4911 12.0294 -16.8958 3.9119 TIMING: 4674000 CPU: 14779.5, 0.00313944/step Wall: 14779.5, 0.00313944/step, 0.284294 hours remaining, 236.589844 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: 4674000 3912.1730 20561.2576 14484.1355 228.6408 -203317.3225 2799.9095 0.0000 0.0000 52287.1575 -109044.0486 300.4950 -161331.2061 -108680.8729 299.6861 173.6161 202.1290 762381.4931 -4.5257 -4.7631 PRESSURE: 4674200 -458.953 -25.012 93.5825 -25.0122 -36.1041 -178.423 93.5816 -178.424 344.601 GPRESSURE: 4674200 -267.809 -140.589 97.2214 -90.2277 -66.7391 -238.954 60.457 -302.818 273.512 PRESSAVG: 4674200 -9.8683 -84.7457 26.4623 -84.7457 -2.27138 -5.86034 26.4623 -5.8603 0.594436 GPRESSAVG: 4674200 -9.75996 -86.4932 26.552 -84.3072 -2.37091 -8.10854 26.3201 -7.70324 0.367114 TIMING: 4674200 CPU: 14780.1, 0.00316644/step Wall: 14780.1, 0.00316644/step, 0.286562 hours remaining, 236.589844 MB of memory in use. ENERGY: 4674200 4030.3519 20474.4460 14528.2066 238.6963 -203088.6948 2507.0312 0.0000 0.0000 52142.5680 -109167.3948 299.6641 -161309.9628 -108803.1525 299.5580 -50.1522 -20.3454 762950.9233 -3.8484 -3.9213 PRESSURE: 4674400 232.573 -346.217 -2.78453 -346.217 343.861 3.07474 -2.78464 3.07493 295.039 GPRESSURE: 4674400 219.813 -276.105 -13.837 -325.45 400.272 42.456 -66.4218 65.7101 333.03 PRESSAVG: 4674400 20.3193 -31.5024 9.49781 -31.5024 -41.9332 57.6487 9.4978 57.6488 -10.8599 GPRESSAVG: 4674400 19.4376 -31.3843 9.11441 -32.0955 -42.6318 59.6464 10.7816 60.5267 -9.2863 TIMING: 4674400 CPU: 14780.8, 0.0031692/step Wall: 14780.8, 0.0031692/step, 0.286637 hours remaining, 236.589844 MB of memory in use. ENERGY: 4674400 3899.7044 20628.6696 14513.5798 240.7054 -203556.2771 3233.1127 0.0000 0.0000 52001.7822 -109038.7231 298.8550 -161040.5053 -108676.8498 299.3574 290.4910 317.7053 762471.4708 -10.8246 -10.8268 PRESSURE: 4674600 422.888 -224.333 -15.5052 -224.333 -261.744 -69.7048 -15.5053 -69.7054 -58.18 GPRESSURE: 4674600 301.144 -169.967 64.582 -189.748 -98.041 -34.9267 -113.894 -101.153 -19.6915 PRESSAVG: 4674600 -42.0839 -30.7155 -14.949 -30.7155 25.4133 1.53524 -14.949 1.53532 16.7918 GPRESSAVG: 4674600 -43.8583 -29.3145 -15.4275 -31.4673 26.8366 0.200518 -16.4668 1.47467 17.2513 TIMING: 4674600 CPU: 14781.4, 0.00314068/step Wall: 14781.4, 0.00314068/step, 0.283883 hours remaining, 236.589844 MB of memory in use. ENERGY: 4674600 4001.2079 20771.0882 14406.2423 256.6020 -203345.6227 2781.8350 0.0000 0.0000 52192.2245 -108936.4227 299.9494 -161128.6473 -108576.5031 299.9440 34.3214 61.1370 762642.5773 0.0404 0.0765 PRESSURE: 4674800 -107.483 -203.366 -157.945 -203.367 -359.404 94.109 -157.945 94.1093 19.1304 GPRESSURE: 4674800 -28.3841 -173.666 -151.352 -174.758 -325.698 142.027 -66.8404 29.9147 6.29781 PRESSAVG: 4674800 57.5908 -10.8699 -18.1029 -10.8699 -17.8778 14.1282 -18.1028 14.1283 -3.17114 GPRESSAVG: 4674800 59.2655 -12.1151 -17.8399 -10.2111 -18.9416 15.5328 -19.1005 13.9593 -3.31815 TIMING: 4674800 CPU: 14782, 0.00317301/step Wall: 14782, 0.00317301/step, 0.286628 hours remaining, 236.589844 MB of memory in use. ENERGY: 4674800 4007.8015 20611.6032 14523.2150 247.5617 -202941.1041 2460.3077 0.0000 0.0000 52148.3289 -108942.2861 299.6972 -161090.6150 -108577.8197 299.6980 -149.2522 -115.9280 763602.3634 12.1806 12.3353 PRESSURE: 4675000 372.516 -11.2274 -9.97209 -11.2277 54.4578 5.48866 -9.97199 5.48813 304.527 GPRESSURE: 4675000 452.519 117.774 -63.9331 -119.161 60.0021 71.4682 -17.3592 82.48 297.454 PRESSAVG: 4675000 22.7018 1.76898 -46.1974 1.76902 -28.9476 -13.3762 -46.1973 -13.3762 6.78785 GPRESSAVG: 4675000 23.4217 2.65296 -46.7845 -1.22431 -28.5706 -14.2518 -41.9948 -14.3689 5.96292 TIMING: 4675000 CPU: 14782.7, 0.00315473/step Wall: 14782.7, 0.00315473/step, 0.284802 hours remaining, 236.792969 MB of memory in use. ENERGY: 4675000 4002.6126 20692.9091 14472.2289 254.0687 -203546.4146 2993.4742 0.0000 0.0000 51927.2779 -109203.8432 298.4268 -161131.1212 -108829.0786 299.3888 243.8336 269.9914 763068.5725 0.1807 0.2713 PRESSURE: 4675200 210.662 -137.865 -169.966 -137.866 -111.804 -144.036 -169.965 -144.036 250.329 GPRESSURE: 4675200 302.183 -191.683 -226.447 -178.418 -143.63 -79.3695 -131.216 -166.019 281.131 PRESSAVG: 4675200 4.63539 -47.9143 16.7239 -47.9143 -10.8896 7.09774 16.7239 7.09776 5.14073 GPRESSAVG: 4675200 4.0236 -49.4943 16.9249 -45.3462 -10.5674 7.54701 13.876 7.14071 5.40089 TIMING: 4675200 CPU: 14783.3, 0.00315368/step Wall: 14783.3, 0.00315368/step, 0.284532 hours remaining, 236.792969 MB of memory in use. ENERGY: 4675200 3915.1971 20602.6442 14520.8100 231.6237 -203300.8314 2856.8973 0.0000 0.0000 52222.0240 -108951.6351 300.1207 -161173.6591 -108580.8539 299.3442 116.3957 146.5610 762529.3148 -0.3712 -0.3810 PRESSURE: 4675400 15.2859 76.907 -275.529 76.9076 -136.451 375.893 -275.529 375.892 -77.3378 GPRESSURE: 4675400 110.072 56.5497 -241.504 52.8486 -191.832 382.21 -318.502 365.932 -9.37815 PRESSAVG: 4675400 102.1 13.7706 5.99233 13.7706 -94.1486 16.6627 5.99225 16.6627 4.12511 GPRESSAVG: 4675400 102.64 13.4762 5.97027 14.1903 -93.5448 15.9236 5.54121 17.95 3.42339 TIMING: 4675400 CPU: 14783.9, 0.00317639/step Wall: 14783.9, 0.00317639/step, 0.286404 hours remaining, 236.792969 MB of memory in use. ENERGY: 4675400 4012.5120 20472.8416 14485.2943 236.7069 -203064.6177 2783.8951 0.0000 0.0000 52029.4141 -109043.9536 299.0138 -161073.3677 -108679.2966 299.9491 -66.1676 -30.3796 764308.1709 4.0256 4.1730 PRESSURE: 4675600 16.3607 -36.9817 112.421 -36.9821 -622.496 -205.181 112.422 -205.182 410.43 GPRESSURE: 4675600 -62.7106 -56.9872 80.3283 -37.5101 -548.733 -239.016 93.5174 -219.115 483.39 PRESSAVG: 4675600 47.1585 -5.70151 -46.8374 -5.70155 -27.3863 -48.1875 -46.8373 -48.1875 -15.4276 GPRESSAVG: 4675600 46.2372 -4.26515 -46.5403 -6.41758 -28.372 -48.8827 -45.9224 -48.4406 -13.9305 TIMING: 4675600 CPU: 14784.6, 0.00314075/step Wall: 14784.6, 0.00314075/step, 0.283017 hours remaining, 236.792969 MB of memory in use. ENERGY: 4675600 4001.2467 20587.5014 14470.1915 242.7077 -203175.0689 2513.7234 0.0000 0.0000 52398.3441 -108961.3541 301.1340 -161359.6982 -108599.5100 299.9276 -65.2349 -42.6842 763144.8714 1.4482 1.3116 PRESSURE: 4675800 -103.603 -282.334 -60.5184 -282.334 -178.796 190.596 -60.5195 190.596 0.94617 GPRESSURE: 4675800 -3.76679 -264.596 5.35465 -279.911 -270.714 304.249 -137.879 80.3298 81.6785 PRESSAVG: 4675800 100.558 -75.8616 -51.8662 -75.8616 -86.0255 -17.9995 -51.8661 -17.9996 -12.0305 GPRESSAVG: 4675800 100.757 -75.6396 -51.2748 -77.2738 -86.7794 -16.673 -51.4728 -18.716 -11.2178 TIMING: 4675800 CPU: 14785.2, 0.00315251/step Wall: 14785.2, 0.00315251/step, 0.283901 hours remaining, 236.792969 MB of memory in use. ENERGY: 4675800 3969.0120 20586.3792 14430.8771 251.2746 -202974.6780 2633.1149 0.0000 0.0000 52246.2916 -108857.7287 300.2602 -161104.0202 -108494.8479 300.0089 -93.8177 -64.2675 762561.2348 0.8341 0.9199 PRESSURE: 4676000 -125.676 44.2614 104.793 44.2607 188.729 -121.268 104.793 -121.267 -52.0531 GPRESSURE: 4676000 -84.1374 116.377 123.881 77.333 182.25 -175.889 27.1649 -110.785 0.163952 PRESSAVG: 4676000 73.1833 -11.477 1.63488 -11.477 -47.0167 24.1354 1.63486 24.1354 53.4335 GPRESSAVG: 4676000 72.6938 -13.7545 0.974008 -8.69482 -46.6741 24.8614 -0.607625 25.0127 53.4051 TIMING: 4676000 CPU: 14785.8, 0.00313787/step Wall: 14785.8, 0.00313787/step, 0.282409 hours remaining, 236.792969 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: 4676000 4009.7279 20578.1747 14461.0285 245.2228 -203051.0341 2623.4986 0.0000 0.0000 52248.4510 -108884.9307 300.2726 -161133.3817 -108524.9095 300.1973 3.6668 32.7590 761765.3371 26.5334 26.4749 PRESSURE: 4676200 171.865 -65.6586 -124.737 -65.6579 -129.567 69.6355 -124.737 69.6358 169.213 GPRESSURE: 4676200 146.112 -142.01 -67.9888 -53.4933 -39.592 38.6815 -29.878 159.791 191.978 PRESSAVG: 4676200 20.6297 -23.8173 -2.80247 -23.8173 -11.8854 -34.0699 -2.8025 -34.0698 0.414173 GPRESSAVG: 4676200 20.6002 -23.1807 -2.96158 -23.9766 -10.0337 -35.2692 -0.134808 -34.4039 -1.48399 TIMING: 4676200 CPU: 14786.5, 0.00313559/step Wall: 14786.5, 0.00313559/step, 0.282029 hours remaining, 236.792969 MB of memory in use. ENERGY: 4676200 3921.9278 20550.4042 14591.7705 251.9068 -203156.6716 2553.4134 0.0000 0.0000 52094.0516 -109193.1973 299.3852 -161287.2489 -108820.8746 299.9472 70.5038 99.4993 762857.7020 3.0528 3.0275 LDB: ============= START OF LOAD BALANCING ============== 14799 LDB: ============== END OF LOAD BALANCING =============== 14799 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14799 LDB: ============= START OF LOAD BALANCING ============== 14799.3 LDB: Largest compute 7077 load 0.034531 is 17.7% of average load 0.195628 LDB: Average compute 0.004359 is 2.2% of average load 0.195628 LDB: TIME 14799.3 LOAD: AVG 0.195628 MAX 0.21528 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.812 MB LDB: TIME 14799.3 LOAD: AVG 0.195628 MAX 0.21528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: TIME 14799.3 LOAD: AVG 0.195628 MAX 0.21528 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.816 MB LDB: ============== END OF LOAD BALANCING =============== 14799.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14799.3 PRESSURE: 4676400 -322.291 -131.671 87.0771 -131.67 -346.285 -85.1018 87.078 -85.1025 -316.51 GPRESSURE: 4676400 -294.756 -17.6332 100.62 -124.466 -386.272 -74.3184 100.205 -56.8623 -225.999 PRESSAVG: 4676400 41.439 -32.1707 52.7495 -32.1706 -5.2159 20.8204 52.7494 20.8204 10.9973 GPRESSAVG: 4676400 41.8064 -31.7903 51.9116 -35.0991 -7.34066 21.7643 50.9376 22.5254 12.4606 TIMING: 4676400 CPU: 14787.1, 0.00322138/step Wall: 14787.1, 0.00322138/step, 0.289566 hours remaining, 238.429688 MB of memory in use. ENERGY: 4676400 3987.8814 20669.7056 14504.1893 239.1096 -203032.8341 2585.7070 0.0000 0.0000 51870.7155 -109175.5256 298.1017 -161046.2411 -108810.3005 299.5733 -328.3618 -302.3422 763473.9877 15.7401 15.6421 PRESSURE: 4676600 31.143 -163.053 7.28332 -163.053 -238.459 -169.363 7.28215 -169.365 171.044 GPRESSURE: 4676600 106.81 -260.315 18.8434 -157.489 -177.262 -127.792 69.4195 -163.215 131.711 PRESSAVG: 4676600 33.6623 -36.7033 41.839 -36.7033 -7.70525 -10.6005 41.839 -10.6006 15.3732 GPRESSAVG: 4676600 33.9806 -36.7497 42.9062 -34.5476 -6.1466 -9.82243 43.8064 -14.3109 13.493 TIMING: 4676600 CPU: 14787.7, 0.00316902/step Wall: 14787.7, 0.00316902/step, 0.284684 hours remaining, 238.738281 MB of memory in use. ENERGY: 4676600 4037.6928 20399.3705 14547.9795 265.1611 -203286.4944 2643.4955 0.0000 0.0000 51994.8907 -109397.9043 298.8154 -161392.7950 -109043.0173 299.1775 -12.0906 20.4194 760042.7987 13.7767 13.7756 PRESSURE: 4676800 -352.791 -391.526 -124.189 -391.526 -65.8635 69.0387 -124.19 69.0366 -294.914 GPRESSURE: 4676800 -410.532 -317.359 -47.9095 -459.285 49.3801 70.8432 -114 34.1316 -272.891 PRESSAVG: 4676800 -25.0189 -68.5725 -32.2539 -68.5726 19.2157 -12.6685 -32.2539 -12.6685 12.8121 GPRESSAVG: 4676800 -25.1978 -67.6342 -31.3933 -69.6529 19.3799 -13.0187 -35.8333 -13.0591 13.4168 TIMING: 4676800 CPU: 14788.4, 0.00317797/step Wall: 14788.4, 0.00317797/step, 0.285311 hours remaining, 238.738281 MB of memory in use. ENERGY: 4676800 3995.7750 20529.9101 14389.7599 249.4127 -203275.1109 2613.5018 0.0000 0.0000 52226.7173 -109270.0341 300.1477 -161496.7514 -108914.4187 299.1144 -237.8563 -211.3479 761997.3766 2.3363 2.5330 PRESSURE: 4677000 22.9743 30.9095 -197.917 30.9091 87.2176 -156.411 -197.918 -156.413 -223.638 GPRESSURE: 4677000 16.8119 112.594 -162.009 7.22133 86.3503 -107.971 -134.195 -180.467 -146.305 PRESSAVG: 4677000 -42.3973 -55.9128 -0.300721 -55.9128 34.0099 29.0554 -0.300677 29.0555 8.99227 GPRESSAVG: 4677000 -43.5997 -54.7037 -0.821987 -54.1552 33.3869 28.9769 0.910103 29.5745 10.2289 TIMING: 4677000 CPU: 14789, 0.00316502/step Wall: 14789, 0.00316502/step, 0.283973 hours remaining, 238.738281 MB of memory in use. ENERGY: 4677000 4065.2739 20543.8686 14485.3167 235.5825 -203343.3126 2618.8340 0.0000 0.0000 52092.7870 -109301.6499 299.3780 -161394.4370 -108944.2508 299.1559 -37.8153 -14.3811 761866.3105 0.2017 0.0054 PRESSURE: 4677200 -242.363 -57.6741 65.7794 -57.6742 -3.11764 92.0778 65.7789 92.0776 34.0894 GPRESSURE: 4677200 -61.9407 -67.0896 38.0501 18.5435 27.1062 184.393 203.748 -104.881 -58.7155 PRESSAVG: 4677200 -29.1362 -66.541 -30.4956 -66.5409 66.1338 17.4896 -30.4955 17.4896 -0.883686 GPRESSAVG: 4677200 -27.3846 -67.7771 -30.2916 -65.9502 67.0558 18.1722 -29.5851 18.9445 -2.69337 TIMING: 4677200 CPU: 14789.6, 0.00314306/step Wall: 14789.6, 0.00314306/step, 0.281828 hours remaining, 238.738281 MB of memory in use. ENERGY: 4677200 3975.6144 20369.2261 14489.7631 241.9382 -203155.8035 2480.5537 0.0000 0.0000 52359.9563 -109238.7517 300.9134 -161598.7080 -108877.5507 299.1071 -70.4638 -31.1833 761285.4394 12.0380 12.3260 PRESSURE: 4677400 422.275 172.718 -195.247 172.717 298.801 -160.749 -195.248 -160.748 179.893 GPRESSURE: 4677400 423.603 23.2395 -139.041 133.436 315.071 -201.125 -91.3287 -226.377 238.965 PRESSAVG: 4677400 22.7604 -17.8492 19.1662 -17.8491 9.90929 -4.83911 19.1663 -4.83911 18.3612 GPRESSAVG: 4677400 21.705 -17.7961 17.5245 -20.6175 9.26554 -6.72516 19.7591 -4.65908 20.0627 TIMING: 4677400 CPU: 14790.3, 0.00314744/step Wall: 14790.3, 0.00314744/step, 0.282046 hours remaining, 238.738281 MB of memory in use. ENERGY: 4677400 3919.6791 20266.9323 14519.6334 258.0034 -203203.9632 2858.6552 0.0000 0.0000 52225.1798 -109155.8800 300.1388 -161381.0598 -108793.4127 299.2617 300.3227 325.8798 760848.2454 17.0103 17.0111 PRESSURE: 4677600 260.508 -270.895 68.2452 -270.895 428.149 111.346 68.2453 111.345 337.179 GPRESSURE: 4677600 326.074 -228.702 62.6168 -233.029 438.924 179.366 45.1496 13.5229 323.323 PRESSAVG: 4677600 -2.45617 -30.8777 -29.5178 -30.8778 24.3895 -36.0457 -29.5178 -36.0458 0.679233 GPRESSAVG: 4677600 -1.52827 -30.8445 -26.5471 -29.3476 23.573 -34.2798 -31.5746 -37.7047 0.318217 TIMING: 4677600 CPU: 14790.9, 0.00314837/step Wall: 14790.9, 0.00314837/step, 0.281954 hours remaining, 238.738281 MB of memory in use. ENERGY: 4677600 3949.5173 20602.5249 14608.7062 262.5941 -203302.6293 2642.5312 0.0000 0.0000 52101.9181 -109134.8374 299.4304 -161236.7555 -108782.7031 299.6245 341.9456 362.7736 761834.3174 7.5375 7.4543 PRESSURE: 4677800 20.1745 192.868 -120.76 192.867 271.308 140.523 -120.76 140.523 -246.006 GPRESSURE: 4677800 -34.8183 162.22 -74.5068 147.506 325.642 87.227 -33.301 126.497 -161.103 PRESSAVG: 4677800 13.528 -57.5578 3.71658 -57.5577 33.9501 50.1339 3.71662 50.1338 1.91917 GPRESSAVG: 4677800 11.9748 -57.6091 1.87553 -58.8869 35.8852 49.2256 4.76571 50.6285 1.21879 TIMING: 4677800 CPU: 14791.5, 0.00316415/step Wall: 14791.5, 0.00316415/step, 0.283191 hours remaining, 238.738281 MB of memory in use. ENERGY: 4677800 3935.0289 20548.5328 14539.2365 257.1361 -203183.0880 2617.9218 0.0000 0.0000 52295.1994 -108990.0326 300.5412 -161285.2319 -108627.5216 299.9344 15.1590 43.2402 761140.1206 16.4658 16.3596 PRESSURE: 4678000 236.7 -157.247 -121.69 -157.248 -74.4614 -298.519 -121.689 -298.519 67.6577 GPRESSURE: 4678000 277.952 -146.686 -66.7543 -71.5009 -9.75491 -327.519 -157.838 -331.891 33.4679 PRESSAVG: 4678000 29.4926 -7.67479 -34.4887 -7.6748 -21.3533 29.452 -34.4887 29.452 -18.7055 GPRESSAVG: 4678000 30.4894 -8.66302 -34.8792 -6.96142 -21.721 28.6718 -34.173 30.5557 -19.4618 TIMING: 4678000 CPU: 14792.2, 0.0031605/step Wall: 14792.2, 0.0031605/step, 0.28269 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: 4678000 3941.4791 20390.0705 14519.3377 266.5802 -202829.5924 2317.8371 0.0000 0.0000 52495.3822 -108898.9055 301.6917 -161394.2878 -108537.3285 300.4059 76.6320 100.5549 761381.2713 -3.5220 -3.5645 PRESSURE: 4678200 143.673 -255.089 -36.0556 -255.089 298.357 52.1765 -36.0556 52.178 -61.652 GPRESSURE: 4678200 112.499 -118.63 25.9022 -354.452 358.114 34.3313 -140.488 66.695 -15.583 PRESSAVG: 4678200 -35.1819 -40.482 20.621 -40.4821 44.4044 11.6718 20.6211 11.6719 15.757 GPRESSAVG: 4678200 -35.243 -40.6706 22.6422 -39.7639 43.0113 12.0944 19.4073 11.4608 16.3932 TIMING: 4678200 CPU: 14792.8, 0.00316293/step Wall: 14792.8, 0.00316293/step, 0.282731 hours remaining, 238.738281 MB of memory in use. ENERGY: 4678200 3930.1899 20446.8166 14578.3037 247.2721 -202920.5072 2531.9176 0.0000 0.0000 52441.8551 -108744.1523 301.3841 -161186.0074 -108364.3185 300.2329 126.7927 151.6767 762209.1059 8.3265 8.0539 PRESSURE: 4678400 557.448 -84.944 -177.617 -84.9444 65.0042 139.471 -177.617 139.471 208.396 GPRESSURE: 4678400 560.715 -105.881 -119.272 -109.142 195.394 109.564 -134.582 212.8 169.381 PRESSAVG: 4678400 31.5889 -77.8885 11.589 -77.8886 -29.3054 47.8611 11.589 47.8611 13.7104 GPRESSAVG: 4678400 29.8348 -75.7725 10.5409 -78.1091 -28.1221 48.4874 12.0295 46.6962 14.2737 TIMING: 4678400 CPU: 14793.4, 0.00317573/step Wall: 14793.4, 0.00317573/step, 0.283699 hours remaining, 238.738281 MB of memory in use. ENERGY: 4678400 3974.5046 20458.5815 14560.7702 239.6075 -203183.0971 2882.1470 0.0000 0.0000 52263.9848 -108803.5016 300.3618 -161067.4864 -108443.2006 300.1192 276.9492 308.4968 760898.2359 5.3313 5.3288 PRESSURE: 4678600 80.3399 139.626 -191.862 139.626 -144.676 -75.7942 -191.861 -75.7936 -8.44283 GPRESSURE: 4678600 164.477 278.128 -179.125 111.792 -71.6903 -23.3179 -272.156 0.720067 -79.8204 PRESSAVG: 4678600 13.0561 -34.3562 -10.7274 -34.3561 -22.313 37.9161 -10.7274 37.916 -25.439 GPRESSAVG: 4678600 14.6437 -35.2727 -9.22709 -34.2291 -22.7014 37.3619 -11.5975 39.4714 -26.8022 TIMING: 4678600 CPU: 14794, 0.00315421/step Wall: 14794, 0.00315421/step, 0.281601 hours remaining, 238.738281 MB of memory in use. ENERGY: 4678600 3930.8819 20503.2812 14509.8716 268.3085 -202754.4646 2340.9840 0.0000 0.0000 52317.2150 -108883.9224 300.6678 -161201.1374 -108517.2129 299.8743 -24.2595 4.3221 760814.3145 -11.5653 -11.6200 PRESSURE: 4678800 500.422 -115.802 190.861 -115.801 272.546 -153.257 190.862 -153.259 323.82 GPRESSURE: 4678800 465.694 -212.986 203.424 -33.6915 375.14 -103.008 147.953 -204.497 338.061 PRESSAVG: 4678800 -39.6543 -36.5928 -61.1984 -36.5928 35.4694 -9.82008 -61.1983 -9.81995 27.4331 GPRESSAVG: 4678800 -39.0991 -36.5406 -61.6364 -36.1172 33.8493 -10.046 -59.8374 -8.75543 28.0682 TIMING: 4678800 CPU: 14794.7, 0.00317541/step Wall: 14794.7, 0.00317541/step, 0.283317 hours remaining, 238.738281 MB of memory in use. ENERGY: 4678800 4015.8904 20399.6470 14586.5045 270.4446 -203352.6967 2839.4361 0.0000 0.0000 52308.8669 -108931.9072 300.6198 -161240.7741 -108567.8950 300.0109 365.5961 392.9651 760686.6472 7.7494 7.6061 PRESSURE: 4679000 -204.859 -36.3436 245.008 -36.3433 30.6912 100.224 245.008 100.224 -85.2116 GPRESSURE: 4679000 -122.941 44.4931 264.848 -90.9926 105.065 17.8249 172.09 211.31 -152.355 PRESSAVG: 4679000 -9.66636 -53.8537 -9.35884 -53.8537 32.5162 -19.2844 -9.35884 -19.2844 -24.928 GPRESSAVG: 4679000 -11.0291 -53.9896 -10.3512 -55.717 35.2039 -18.0455 -9.17947 -20.5304 -26.0418 TIMING: 4679000 CPU: 14795.3, 0.00314972/step Wall: 14795.3, 0.00314972/step, 0.28085 hours remaining, 238.738281 MB of memory in use. ENERGY: 4679000 4005.0005 20491.3088 14528.0041 257.8068 -202990.4063 2584.5166 0.0000 0.0000 52203.9236 -108919.8459 300.0167 -161123.7695 -108552.1862 300.4067 -86.4599 -56.7435 760060.8213 -0.6927 -0.6224 PRESSURE: 4679200 50.5764 -91.3454 243.827 -91.3458 -52.1086 42.3354 243.826 42.3344 -149.749 GPRESSURE: 4679200 143.197 -43.1719 163.166 -59.1542 -107.824 -11.704 250.296 -1.97966 -105.845 PRESSAVG: 4679200 8.69864 -56.4612 -46.7114 -56.4612 -20.7222 -16.908 -46.7114 -16.908 -9.79819 GPRESSAVG: 4679200 10.7442 -56.967 -46.9445 -54.5769 -22.4957 -17.2429 -46.3455 -16.9264 -10.3391 TIMING: 4679200 CPU: 14795.9, 0.00316572/step Wall: 14795.9, 0.00316572/step, 0.282101 hours remaining, 238.738281 MB of memory in use. ENERGY: 4679200 3987.4251 20522.0651 14595.4766 262.4021 -203228.8988 2535.2026 0.0000 0.0000 52276.3313 -109049.9961 300.4328 -161326.3274 -108693.5749 300.4195 -50.4272 -23.4909 760062.0196 -7.2739 -7.3635 PRESSURE: 4679400 -241.178 119.193 -143.756 119.193 -129.573 -76.9745 -143.756 -76.9752 52.1494 GPRESSURE: 4679400 -161.814 30.1145 -103.586 134.613 -196.833 -82.0423 -118.442 -22.7156 106.262 PRESSAVG: 4679400 64.3089 -33.874 3.29664 -33.8741 -26.1148 -7.42952 3.29667 -7.42951 6.42905 GPRESSAVG: 4679400 63.2578 -33.2867 4.80958 -32.9245 -25.8684 -6.32817 2.2228 -4.77408 7.72651 TIMING: 4679400 CPU: 14796.6, 0.00316536/step Wall: 14796.6, 0.00316536/step, 0.281893 hours remaining, 238.738281 MB of memory in use. ENERGY: 4679400 4023.0231 20552.0503 14536.8867 259.9984 -203194.7960 2635.7132 0.0000 0.0000 51953.2261 -109233.8983 298.5759 -161187.1244 -108882.9225 299.9802 -106.2004 -84.1281 759769.0719 14.8744 15.0386 PRESSURE: 4679600 197.744 25.9202 33.6611 25.9207 32.2345 33.6888 33.6619 33.6892 -270.204 GPRESSURE: 4679600 198.95 1.82951 -18.5461 25.0506 163.278 25.9785 146.659 -41.56 -311.561 PRESSAVG: 4679600 -28.5731 -7.37967 -1.71086 -7.37964 -13.7115 -10.7625 -1.71087 -10.7626 -24.6984 GPRESSAVG: 4679600 -28.3893 -9.05066 -2.63307 -5.52103 -12.1887 -11.7217 -3.43441 -13.1738 -26.35 TIMING: 4679600 CPU: 14797.2, 0.00316642/step Wall: 14797.2, 0.00316642/step, 0.281811 hours remaining, 238.738281 MB of memory in use. ENERGY: 4679600 3904.6743 20473.5425 14547.3028 243.3960 -203364.4932 2609.4448 0.0000 0.0000 52141.9143 -109444.2185 299.6603 -161586.1328 -109082.5746 299.5737 -13.4085 16.8891 761264.2068 -22.3277 -22.3093 PRESSURE: 4679800 -77.2161 66.8207 50.9398 66.8197 -47.4262 -145.788 50.9396 -145.79 -228.93 GPRESSURE: 4679800 -15.6436 -11.6427 118.189 40.9166 -39.4109 -173.155 -23.0384 -108.208 -199.955 PRESSAVG: 4679800 -34.0282 5.6488 52.8327 5.64881 9.34351 -20.2243 52.8327 -20.2244 -11.7579 GPRESSAVG: 4679800 -34.3351 6.69069 53.2822 4.10683 8.12797 -20.7411 54.3666 -19.8169 -10.6902 TIMING: 4679800 CPU: 14797.8, 0.00317257/step Wall: 14797.8, 0.00317257/step, 0.282183 hours remaining, 238.738281 MB of memory in use. ENERGY: 4679800 3948.1504 20442.5529 14527.1898 242.3224 -203538.4495 2785.8022 0.0000 0.0000 52081.1893 -109511.2427 299.3113 -161592.4319 -109151.7699 299.1672 -117.8575 -85.0031 760594.8199 -12.1475 -12.2991 PRESSURE: 4680000 159.229 -155.328 -252.735 -155.328 470.306 120.785 -252.735 120.785 -6.74651 GPRESSURE: 4680000 231.716 -162.832 -333.017 -193.887 417.437 98.6804 -239.954 178.75 50.8966 PRESSAVG: 4680000 17.0901 -44.0074 -8.70547 -44.0074 -3.45231 -21.7144 -8.70547 -21.7143 -6.89838 GPRESSAVG: 4680000 16.3855 -44.3079 -9.99148 -44.1998 -3.77963 -23.1037 -7.01826 -22.0778 -6.83173 TIMING: 4680000 CPU: 14798.5, 0.00315263/step Wall: 14798.5, 0.00315263/step, 0.280234 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: 4680000 3866.6265 20520.7349 14533.5354 264.3771 -203515.8824 2724.5792 0.0000 0.0000 51880.5813 -109725.4481 298.1584 -161606.0294 -109370.4997 299.0078 207.5961 233.3501 762187.6034 2.2465 1.9247 PRESSURE: 4680200 -56.3362 91.2217 60.6331 91.2223 -188.017 -120.064 60.6329 -120.064 173.11 GPRESSURE: 4680200 -9.9698 98.5036 -80.1988 147.469 -155.47 -67.3094 -29.5031 -185.247 171.753 PRESSAVG: 4680200 8.25427 -55.5041 -19.1253 -55.5041 14.2311 22.5317 -19.1253 22.5317 7.34236 GPRESSAVG: 4680200 8.09637 -55.3195 -18.9437 -56.8544 13.8178 25.6764 -19.4655 20.6903 8.07742 TIMING: 4680200 CPU: 14799.1, 0.00316272/step Wall: 14799.1, 0.00316272/step, 0.280955 hours remaining, 238.738281 MB of memory in use. ENERGY: 4680200 3963.0936 20518.6804 14565.1970 262.5049 -203462.6257 2580.8198 0.0000 0.0000 51684.1005 -109888.2294 297.0292 -161572.3299 -109536.0145 298.6140 -23.7478 2.1045 761393.3843 9.9426 9.9972 LDB: ============= START OF LOAD BALANCING ============== 14811.6 LDB: ============== END OF LOAD BALANCING =============== 14811.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14811.6 LDB: ============= START OF LOAD BALANCING ============== 14812 LDB: Largest compute 7077 load 0.034209 is 17.5% of average load 0.195577 LDB: Average compute 0.004364 is 2.2% of average load 0.195577 LDB: TIME 14812 LOAD: AVG 0.195577 MAX 0.21324 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.074 MB LDB: TIME 14812 LOAD: AVG 0.195577 MAX 0.21324 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.184 MB LDB: TIME 14812 LOAD: AVG 0.195577 MAX 0.21324 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.184 MB LDB: ============== END OF LOAD BALANCING =============== 14812 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14812 PRESSURE: 4680400 199.884 -107.839 50.8859 -107.839 581.504 -101.157 50.8866 -101.157 249.982 GPRESSURE: 4680400 196.025 -19.0209 48.9103 -61.9817 645.366 -93.0993 -68.6456 -108.09 272.847 PRESSAVG: 4680400 29.8634 -75.4099 41.3341 -75.4099 -28.6984 -42.6836 41.334 -42.6836 3.73511 GPRESSAVG: 4680400 30.0128 -74.7113 40.4832 -73.4709 -28.5025 -44.0437 37.5896 -41.916 2.97823 TIMING: 4680400 CPU: 14799.8, 0.00323132/step Wall: 14799.8, 0.00323132/step, 0.286869 hours remaining, 236.679688 MB of memory in use. ENERGY: 4680400 3932.9348 20265.2533 14543.9010 259.5907 -203644.7417 2928.9649 0.0000 0.0000 51955.4845 -109758.6125 298.5889 -161714.0970 -109392.3465 298.2849 343.7898 371.4129 760563.3899 1.6334 1.4962 PRESSURE: 4680600 299.155 -281.762 176.961 -281.762 -120.144 -159.168 176.962 -159.168 169.674 GPRESSURE: 4680600 258.716 -224.508 179.032 -168.089 -21.8159 -165.177 269.571 -80.8704 206.235 PRESSAVG: 4680600 44.4774 -21.3985 -68.6124 -21.3985 7.65095 13.1381 -68.6124 13.138 -4.89671 GPRESSAVG: 4680600 44.1776 -20.5573 -66.5188 -22.2018 7.81566 14.3627 -66.1516 14.3195 -4.94366 TIMING: 4680600 CPU: 14800.4, 0.00315132/step Wall: 14800.4, 0.00315132/step, 0.279592 hours remaining, 236.937500 MB of memory in use. ENERGY: 4680600 4047.9785 20307.1969 14489.9502 276.8403 -203396.7997 2611.1952 0.0000 0.0000 51822.9561 -109840.6825 297.8272 -161663.6386 -109475.8011 298.3113 116.2281 147.7114 760352.1575 15.7439 15.6832 PRESSURE: 4680800 118.735 -14.7813 47.395 -14.7811 -193.444 -55.9004 47.3948 -55.9005 207.545 GPRESSURE: 4680800 77.9604 34.8335 25.388 -11.8001 -61.911 -112.415 17.1953 -49.6341 218.772 PRESSAVG: 4680800 16.4279 -7.47239 -26.4401 -7.47243 -47.9439 -9.91368 -26.4401 -9.91364 12.3713 GPRESSAVG: 4680800 16.5098 -9.67406 -26.3483 -6.41196 -47.4093 -11.0462 -27.2579 -9.12876 12.5877 TIMING: 4680800 CPU: 14801, 0.00313991/step Wall: 14801, 0.00313991/step, 0.278406 hours remaining, 236.937500 MB of memory in use. ENERGY: 4680800 3983.6431 20239.5823 14496.3087 249.2769 -203186.8487 2538.5597 0.0000 0.0000 51916.0846 -109763.3934 298.3625 -161679.4779 -109395.5450 298.0236 44.2786 78.2738 759237.2506 -6.3815 -6.1039 PRESSURE: 4681000 228.96 -144.96 2.66468 -144.96 128.385 -155.886 2.66401 -155.886 191.404 GPRESSURE: 4681000 238.198 -276.117 97.8276 -205.017 50.2549 -137.237 -111.057 -67.2409 338.471 PRESSAVG: 4681000 6.43933 -41.3214 -34.5769 -41.3214 12.1489 7.08951 -34.5768 7.0895 5.97708 GPRESSAVG: 4681000 6.92505 -39.64 -34.5248 -42.6444 12.4553 6.43256 -35.0628 5.89776 4.94023 TIMING: 4681000 CPU: 14801.6, 0.00315729/step Wall: 14801.6, 0.00315729/step, 0.279771 hours remaining, 236.937500 MB of memory in use. ENERGY: 4681000 3989.4232 20653.6501 14524.0391 245.8714 -203462.4721 2576.3378 0.0000 0.0000 51833.5535 -109639.5968 297.8881 -161473.1503 -109276.6230 298.3634 182.9164 208.9748 760439.3752 8.1884 8.1069 PRESSURE: 4681200 221.05 -311.594 -231.438 -311.594 -201.143 -100.739 -231.438 -100.739 -106.013 GPRESSURE: 4681200 226.941 -198.43 -322.651 -213.298 -122.549 -65.7446 -91.6625 -98.2857 -103.941 PRESSAVG: 4681200 -44.8207 -43.2681 1.65109 -43.2682 45.1023 7.28797 1.6511 7.28794 -3.07744 GPRESSAVG: 4681200 -45.9667 -43.0886 0.547311 -42.5826 44.6896 10.0596 2.4029 7.85435 -1.56232 TIMING: 4681200 CPU: 14802.3, 0.00313604/step Wall: 14802.3, 0.00313604/step, 0.277714 hours remaining, 236.937500 MB of memory in use. ENERGY: 4681200 3960.9243 20337.3485 14482.0213 257.3260 -203601.6367 2658.3736 0.0000 0.0000 52225.8021 -109679.8408 300.1424 -161905.6429 -109318.6470 298.6880 -28.7019 0.1504 759776.0443 -0.9319 -0.9465 PRESSURE: 4681400 -309.954 -117.666 -29.8783 -117.667 74.1019 -278.992 -29.8792 -278.99 -131.448 GPRESSURE: 4681400 -269.67 -2.86897 -73.0151 -95.2411 50.3292 -176.05 69.5047 -285.977 -69.1272 PRESSAVG: 4681400 47.1583 -25.6683 3.91605 -25.6683 15.4593 16.5534 3.91609 16.5534 33.5705 GPRESSAVG: 4681400 47.3932 -24.0234 4.11107 -26.3511 15.2855 12.4825 5.69581 18.5574 32.8562 TIMING: 4681400 CPU: 14802.9, 0.00315926/step Wall: 14802.9, 0.00315926/step, 0.279595 hours remaining, 236.937500 MB of memory in use. ENERGY: 4681400 4043.8360 20534.5714 14569.4385 241.2429 -203157.5586 2558.6164 0.0000 0.0000 51694.4615 -109515.3919 297.0888 -161209.8534 -109166.2176 298.5203 -122.4333 -96.1559 759697.5161 32.0627 31.8450 PRESSURE: 4681600 -23.1711 -10.9666 175.17 -10.9669 43.7252 69.018 175.17 69.0172 241.018 GPRESSURE: 4681600 -13.7547 -10.1276 145.142 -14.5846 85.4569 36.3548 41.9012 50.1026 282.726 PRESSAVG: 4681600 6.70482 -53.7818 -36.1939 -53.7818 7.20723 2.88223 -36.1939 2.88219 -13.6337 GPRESSAVG: 4681600 5.87315 -54.4662 -35.7167 -54.102 7.90708 4.56188 -37.2279 1.02114 -13.3004 TIMING: 4681600 CPU: 14803.5, 0.00317404/step Wall: 14803.5, 0.00317404/step, 0.280726 hours remaining, 236.937500 MB of memory in use. ENERGY: 4681600 3998.5928 20405.9330 14463.0083 236.9180 -203440.9768 2782.4196 0.0000 0.0000 52013.9388 -109540.1662 298.9248 -161554.1050 -109194.7195 298.6481 87.1906 118.1426 761385.3422 0.0928 0.1600 PRESSURE: 4681800 11.4989 0.00940375 28.4852 0.00912076 -194.124 37.1611 28.4857 37.1617 241.237 GPRESSURE: 4681800 3.18934 -45.91 47.4804 35.0248 -81.7671 -32.1945 99.0738 50.1288 208.684 PRESSAVG: 4681800 41.0137 -43.9192 12.7947 -43.9193 -12.3058 35.8266 12.7947 35.8266 -12.8794 GPRESSAVG: 4681800 41.7078 -45.414 13.74 -43.3573 -12.6376 35.1279 13.3401 37.4189 -13.2891 TIMING: 4681800 CPU: 14804.2, 0.00317877/step Wall: 14804.2, 0.00317877/step, 0.280968 hours remaining, 236.937500 MB of memory in use. ENERGY: 4681800 3959.5467 20486.9185 14506.2040 248.1877 -203228.9201 2753.2945 0.0000 0.0000 51842.5560 -109432.2127 297.9399 -161274.7687 -109072.8403 298.7002 19.5371 43.3689 760819.7069 5.2762 5.2604 PRESSURE: 4682000 284.49 25.2343 -181.605 25.2348 -65.9066 61.2452 -181.606 61.2453 209.22 GPRESSURE: 4682000 312.586 20.0095 -162.093 67.7806 23.904 46.4886 -224.041 73.1577 199.861 PRESSAVG: 4682000 3.69984 12.9233 28.1824 12.9232 -26.7229 51.6126 28.1824 51.6127 -0.63445 GPRESSAVG: 4682000 4.91687 14.8606 28.1786 13.4328 -26.7569 52.746 27.352 50.3805 -1.54923 TIMING: 4682000 CPU: 14804.8, 0.00315368/step Wall: 14804.8, 0.00315368/step, 0.278575 hours remaining, 236.937500 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: 4682000 3952.8685 20309.7852 14524.4485 250.0889 -203380.1074 2925.3422 0.0000 0.0000 52059.6385 -109357.9355 299.1875 -161417.5740 -108992.9409 298.7143 142.6009 178.7837 760257.1919 -7.8858 -7.7964 PRESSURE: 4682200 -10.1363 -117.178 18.5319 -117.179 -26.0772 -22.0085 18.5324 -22.0085 57.7799 GPRESSURE: 4682200 12.9777 -201.691 54.9751 -41.921 52.232 -42.1599 -68.977 6.84567 57.3905 PRESSAVG: 4682200 7.64476 14.8447 21.5832 14.8447 -16.001 26.8576 21.5832 26.8575 -7.66507 GPRESSAVG: 4682200 7.88508 13.4373 21.8304 15.4965 -17.3636 26.7385 19.9279 24.4784 -6.48053 TIMING: 4682200 CPU: 14805.4, 0.00317514/step Wall: 14805.4, 0.00317514/step, 0.280294 hours remaining, 236.937500 MB of memory in use. ENERGY: 4682200 4006.7033 20446.9623 14526.6943 250.5765 -203360.2667 2667.0475 0.0000 0.0000 52019.6813 -109442.6016 298.9578 -161462.2828 -109085.9672 298.9522 7.1888 40.8667 761053.0953 -5.3404 -5.3197 PRESSURE: 4682400 -186.19 61.6137 15.2156 61.6139 106.002 286.705 15.2163 286.704 -127.377 GPRESSURE: 4682400 -122.733 -3.54897 83.7449 157.854 54.3878 323.391 -45.7451 358.003 -53.3839 PRESSAVG: 4682400 -40.7011 -6.28582 -38.8213 -6.28582 10.493 7.9468 -38.8213 7.94678 -22.7627 GPRESSAVG: 4682400 -39.7745 -6.30619 -40.0145 -3.84741 10.4355 6.24875 -36.0636 13.5806 -23.5201 TIMING: 4682400 CPU: 14806.1, 0.00317493/step Wall: 14806.1, 0.00317493/step, 0.280099 hours remaining, 236.937500 MB of memory in use. ENERGY: 4682400 3938.7544 20553.5376 14500.8421 233.2518 -202691.9932 2290.0119 0.0000 0.0000 51742.1654 -109433.4300 297.3629 -161175.5955 -109079.5155 298.5736 -69.1885 -40.5763 762889.3943 -17.6569 -17.6197 PRESSURE: 4682600 9.28606 146.696 -16.9015 146.696 153.282 -61.9355 -16.9021 -61.9371 -21.4573 GPRESSURE: 4682600 -9.112 78.0526 -58.8586 162.908 253.14 1.22205 46.3188 -39.892 -53.1057 PRESSAVG: 4682600 18.8855 -5.07586 -9.45422 -5.07581 -35.2742 56.8845 -9.45423 56.8845 -13.5473 GPRESSAVG: 4682600 18.3122 -4.94655 -9.16862 -8.8778 -35.1563 57.2715 -12.2858 55.9628 -13.2294 TIMING: 4682600 CPU: 14806.7, 0.00316408/step Wall: 14806.7, 0.00316408/step, 0.278967 hours remaining, 236.937500 MB of memory in use. ENERGY: 4682600 3954.8063 20507.2866 14557.9815 264.6218 -203431.9140 2786.7372 0.0000 0.0000 51912.4676 -109448.0130 298.3417 -161360.4806 -109094.1882 298.9641 47.0369 63.6406 761021.9966 -9.9787 -10.0245 PRESSURE: 4682800 64.3529 1.64208 205.184 1.6421 23.4355 116.802 205.183 116.802 -78.915 GPRESSURE: 4682800 125.382 23.6687 205.353 12.2724 9.71956 162.646 289.578 124.076 -47.8728 PRESSAVG: 4682800 15.0511 -4.2796 -3.98174 -4.27957 1.3465 9.1383 -3.98183 9.13826 -13.3075 GPRESSAVG: 4682800 15.5881 -2.74715 -3.29612 -3.57203 1.57789 9.57239 -1.92601 7.40615 -13.9982 TIMING: 4682800 CPU: 14807.3, 0.00316417/step Wall: 14807.3, 0.00316417/step, 0.278798 hours remaining, 236.937500 MB of memory in use. ENERGY: 4682800 4092.2753 20564.7520 14533.6466 246.8063 -203334.8129 2635.2255 0.0000 0.0000 51801.7629 -109460.3442 297.7054 -161262.1071 -109100.8669 298.6987 2.9578 29.0761 761130.8501 1.0300 1.0559 PRESSURE: 4683000 -60.3432 180.538 3.8943 180.537 -402.537 -144.72 3.89457 -144.72 -326.093 GPRESSURE: 4683000 -82.7293 61.8933 -100.222 69.1708 -238.475 -83.9754 117.988 -70.0881 -363.917 PRESSAVG: 4683000 45.6525 -8.19255 -11.47 -8.19255 -94.5401 23.6499 -11.47 23.6499 4.32799 GPRESSAVG: 4683000 44.0127 -10.0826 -11.3475 -8.13214 -94.2436 23.7527 -12.3468 23.5183 5.33051 TIMING: 4683000 CPU: 14808, 0.0031543/step Wall: 14808, 0.0031543/step, 0.277753 hours remaining, 236.937500 MB of memory in use. ENERGY: 4683000 3992.2822 20576.3361 14521.1298 244.6484 -203199.1897 2545.7156 0.0000 0.0000 51937.7170 -109381.3606 298.4868 -161319.0776 -109029.4177 298.7736 -262.9909 -228.3740 761684.1639 -14.8532 -14.9668 PRESSURE: 4683200 -242.508 -2.97148 -23.8197 -2.97113 -31.6557 128.426 -23.8204 128.427 57.9384 GPRESSURE: 4683200 -155.803 5.46041 74.6808 119.698 -89.6909 9.87282 -162.694 78.6794 99.0268 PRESSAVG: 4683200 79.9458 27.7145 -3.99651 27.7145 -14.5544 14.0306 -3.99657 14.0306 16.5839 GPRESSAVG: 4683200 80.3454 29.3318 -4.09128 28.0767 -14.4737 13.0574 -4.85878 15.7819 16.0938 TIMING: 4683200 CPU: 14808.6, 0.00316758/step Wall: 14808.6, 0.00316758/step, 0.278747 hours remaining, 236.937500 MB of memory in use. ENERGY: 4683200 3970.2260 20574.4190 14437.6498 240.4112 -203417.0683 2754.1348 0.0000 0.0000 51780.9107 -109659.3169 297.5856 -161440.2276 -109301.3125 298.8621 -72.0751 -48.8224 759731.6024 27.3251 27.3218 PRESSURE: 4683400 62.4853 327.746 -97.0171 327.745 206.839 -220.185 -97.0164 -220.185 179.217 GPRESSURE: 4683400 50.1291 330.901 -72.1665 286.083 293.68 -299.688 -16.1023 -227.888 180.948 PRESSAVG: 4683400 -38.6489 -41.4902 -3.72192 -41.4902 104.166 -14.3293 -3.72191 -14.3294 0.0814539 GPRESSAVG: 4683400 -39.0458 -42.6585 -3.95426 -41.2722 105.108 -13.2973 -2.51397 -17.1568 -0.380225 TIMING: 4683400 CPU: 14809.2, 0.003162/step Wall: 14809.2, 0.003162/step, 0.27808 hours remaining, 236.937500 MB of memory in use. ENERGY: 4683400 3991.2732 20624.4289 14501.1066 229.6492 -203805.9442 2867.1173 0.0000 0.0000 52050.6986 -109541.6704 299.1361 -161592.3690 -109187.0312 298.3732 149.5138 174.9190 759901.6940 21.8663 21.8939 PRESSURE: 4683600 -269.251 -244.971 -151.069 -244.971 -66.7299 -60.6349 -151.07 -60.6338 -182.645 GPRESSURE: 4683600 -204.589 -140.136 -98.3011 -211.263 -93.527 -90.0957 -150.3 -1.99911 -132.753 PRESSAVG: 4683600 9.1485 -37.4132 -44.8011 -37.4132 -15.5307 -15.6533 -44.8011 -15.6532 -0.100684 GPRESSAVG: 4683600 8.8295 -36.0513 -45.4916 -38.5903 -15.8223 -17.353 -44.3588 -14.1363 0.212406 TIMING: 4683600 CPU: 14809.9, 0.00314829/step Wall: 14809.9, 0.00314829/step, 0.2767 hours remaining, 236.937500 MB of memory in use. ENERGY: 4683600 3934.0263 20426.6195 14538.1609 237.5615 -203343.5546 2519.8258 0.0000 0.0000 52065.2682 -109622.0925 299.2198 -161687.3607 -109260.5583 298.9998 -172.8754 -143.6232 761312.8091 -2.1610 -2.2601 PRESSURE: 4683800 -43.0899 80.3889 125.549 80.3884 -137.259 -31.7576 125.549 -31.7577 -473.443 GPRESSURE: 4683800 -71.753 97.7321 38.52 123.071 -38.9534 -185.462 122.198 -65.951 -446.074 PRESSAVG: 4683800 47.4684 -52.8369 28.5672 -52.8369 -19.4195 -34.5108 28.5671 -34.5108 -12.0366 GPRESSAVG: 4683800 48.5151 -54.5045 27.4439 -53.4747 -20.0379 -31.6086 30.0541 -35.5064 -12.2329 TIMING: 4683800 CPU: 14810.5, 0.003156/step Wall: 14810.5, 0.003156/step, 0.277202 hours remaining, 236.937500 MB of memory in use. ENERGY: 4683800 4017.1504 20340.7451 14518.7307 242.9399 -203109.0398 2477.8516 0.0000 0.0000 51784.4617 -109727.1603 297.6060 -161511.6220 -109363.8042 298.0658 -217.9308 -185.5934 761261.6405 5.3375 5.4148 PRESSURE: 4684000 -488.034 -89.9969 -15.6558 -89.9971 -313.813 240.94 -15.6561 240.94 128.264 GPRESSURE: 4684000 -417.041 -38.3031 -85.6557 -210.626 -294.529 160.042 103.508 214.202 109.815 PRESSAVG: 4684000 62.2031 -22.4263 -10.7066 -22.4264 -63.394 15.3505 -10.7066 15.3506 7.34374 GPRESSAVG: 4684000 63.5441 -21.5053 -7.86129 -23.3082 -63.8538 14.5714 -11.8876 14.9701 6.49092 TIMING: 4684000 CPU: 14811.1, 0.00316326/step Wall: 14811.1, 0.00316327/step, 0.277664 hours remaining, 236.937500 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: 4684000 4004.8977 20362.7957 14542.5615 249.2429 -203307.3959 2726.6628 0.0000 0.0000 51923.5238 -109497.7114 298.4052 -161421.2352 -109140.6735 298.2227 -224.5275 -200.5848 763646.9217 2.0509 2.0604 PRESSURE: 4684200 160.124 168.327 -301.243 168.327 -194.727 172.979 -301.244 172.979 12.0729 GPRESSURE: 4684200 194.96 168.305 -274.665 48.797 -100.322 323.487 -257.565 121.449 -19.8762 PRESSAVG: 4684200 24.1472 -14.0255 -3.5159 -14.0254 -4.87593 74.7951 -3.51588 74.795 12.2129 GPRESSAVG: 4684200 22.8387 -15.03 -3.84068 -13.4705 -3.82954 73.413 -4.70769 75.216 12.4605 TIMING: 4684200 CPU: 14811.8, 0.00315659/step Wall: 14811.8, 0.00315659/step, 0.276903 hours remaining, 236.937500 MB of memory in use. ENERGY: 4684200 4005.3227 20478.9692 14445.1545 252.7307 -203330.9513 2552.4974 0.0000 0.0000 51834.4062 -109761.8706 297.8930 -161596.2768 -109401.5379 297.9870 -7.5103 24.9207 761079.6367 10.4947 10.4899 LDB: ============= START OF LOAD BALANCING ============== 14824.3 LDB: ============== END OF LOAD BALANCING =============== 14824.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14824.3 LDB: ============= START OF LOAD BALANCING ============== 14824.6 LDB: Largest compute 7029 load 0.033832 is 17.3% of average load 0.195650 LDB: Average compute 0.004376 is 2.2% of average load 0.195650 LDB: TIME 14824.6 LOAD: AVG 0.19565 MAX 0.216106 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.715 MB LDB: TIME 14824.6 LOAD: AVG 0.19565 MAX 0.216106 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: TIME 14824.6 LOAD: AVG 0.19565 MAX 0.216106 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.715 MB LDB: ============== END OF LOAD BALANCING =============== 14824.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14824.6 PRESSURE: 4684400 18.9645 36.8211 -108.877 36.8217 -182.176 -43.0515 -108.877 -43.052 237.62 GPRESSURE: 4684400 -24.383 -62.6239 -42.9471 -13.8738 -133.839 -36.0265 -25.9375 58.0658 292.706 PRESSAVG: 4684400 35.2161 -27.9676 -21.5636 -27.9676 -31.3082 32.5781 -21.5636 32.5781 -9.95318 GPRESSAVG: 4684400 34.0768 -28.4954 -20.9658 -27.2881 -31.2964 34.2872 -23.0029 33.9197 -9.29991 TIMING: 4684400 CPU: 14812.4, 0.00323682/step Wall: 14812.4, 0.00323682/step, 0.283761 hours remaining, 236.117188 MB of memory in use. ENERGY: 4684400 3985.0112 20463.1307 14551.9870 222.3649 -203351.2843 2511.0344 0.0000 0.0000 52022.3633 -109595.3928 298.9732 -161617.7561 -109232.6440 298.6739 24.8029 44.8280 761838.4221 -2.0151 -2.1732 PRESSURE: 4684600 -213.714 100.586 46.9913 100.586 -216.428 -277.602 46.9911 -277.601 -273.219 GPRESSURE: 4684600 -26.8693 34.0703 23.1086 104.976 -196.752 -240.618 85.3944 -302.858 -368.622 PRESSAVG: 4684600 18.6108 -33.0086 -26.6961 -33.0086 -21.4639 3.42735 -26.6961 3.42739 -26.651 GPRESSAVG: 4684600 17.9982 -31.9715 -26.5491 -32.5966 -22.4368 4.47732 -24.5265 2.1116 -25.1143 TIMING: 4684600 CPU: 14813, 0.00317261/step Wall: 14813, 0.00317261/step, 0.277956 hours remaining, 236.152344 MB of memory in use. ENERGY: 4684600 4026.3063 20476.8431 14479.7394 241.8493 -203452.7967 2604.7392 0.0000 0.0000 52034.1615 -109589.1579 299.0410 -161623.3194 -109215.8988 298.3643 -234.4535 -197.4145 762343.8569 -9.8347 -9.8510 PRESSURE: 4684800 -188.657 50.9107 -110.111 50.9107 169.846 125.816 -110.111 125.816 159.742 GPRESSURE: 4684800 -143.254 131.744 -71.721 -25.7565 167.409 77.7933 -61.2098 -62.0852 204.463 PRESSAVG: 4684800 -85.2701 -49.4809 24.7359 -49.481 21.6115 -7.42471 24.7358 -7.42471 11.0333 GPRESSAVG: 4684800 -84.3075 -50.1269 23.3996 -50.3906 22.1748 -8.94123 24.6369 -8.52317 9.82788 TIMING: 4684800 CPU: 14813.7, 0.0031612/step Wall: 14813.7, 0.0031612/step, 0.276781 hours remaining, 236.152344 MB of memory in use. ENERGY: 4684800 3981.4333 20424.6698 14434.8860 262.3362 -203109.1091 2510.6183 0.0000 0.0000 51944.2819 -109550.8836 298.5245 -161495.1654 -109176.8644 298.6402 46.9770 76.2063 761619.0663 -17.5418 -17.4350 PRESSURE: 4685000 417.594 -69.5377 -79.4098 -69.5385 -224.882 47.3011 -79.4107 47.3013 337.872 GPRESSURE: 4685000 365.013 5.22826 -72.4197 -157.322 -60.3627 34.7522 -26.9072 -4.29728 327.696 PRESSAVG: 4685000 -3.13511 -12.1071 7.85409 -12.1071 8.44504 -36.9166 7.85409 -36.9166 23.895 GPRESSAVG: 4685000 -4.07098 -12.6547 8.47132 -11.009 9.00034 -37.9307 8.68491 -35.0749 24.1195 TIMING: 4685000 CPU: 14814.3, 0.00314485/step Wall: 14814.3, 0.00314485/step, 0.275175 hours remaining, 236.152344 MB of memory in use. ENERGY: 4685000 3996.3811 20471.2583 14506.6429 244.3441 -203131.9911 2606.6588 0.0000 0.0000 51980.7968 -109325.9091 298.7344 -161306.7058 -108963.3664 298.9788 176.8615 210.7823 762261.4605 9.7350 9.6830 PRESSURE: 4685200 48.4349 -152.298 -90.4345 -152.297 405.608 75.889 -90.434 75.889 26.8115 GPRESSURE: 4685200 50.7467 -181.224 -29.767 -130.908 393.166 175.009 5.01542 181.815 115.927 PRESSAVG: 4685200 18.6866 -13.6316 48.9878 -13.6316 19.2066 -7.3453 48.9877 -7.34526 7.65428 GPRESSAVG: 4685200 19.0759 -12.654 48.0039 -15.1686 19.4289 -6.61312 50.6009 -7.79873 6.38923 TIMING: 4685200 CPU: 14814.9, 0.00313937/step Wall: 14814.9, 0.00313938/step, 0.274521 hours remaining, 236.152344 MB of memory in use. ENERGY: 4685200 4008.4630 20349.9690 14572.6070 242.8978 -203664.5585 2938.9696 0.0000 0.0000 52164.7416 -109386.9105 299.7915 -161551.6521 -109015.7733 298.7290 160.2849 186.6133 758989.2289 15.1825 14.9647 PRESSURE: 4685400 -91.733 89.0321 22.8402 89.0317 237.494 -94.5635 22.8409 -94.564 71.1544 GPRESSURE: 4685400 -97.7365 168.562 88.3738 43.3614 285.641 -100.899 -36.9721 -51.7925 119.886 PRESSAVG: 4685400 -18.9559 -35.1539 2.69545 -35.154 53.6839 7.84854 2.69544 7.8485 -11.2856 GPRESSAVG: 4685400 -19.0471 -34.3933 3.37404 -34.9448 53.073 7.2363 0.20967 10.6053 -10.1332 TIMING: 4685400 CPU: 14815.6, 0.00314384/step Wall: 14815.6, 0.00314384/step, 0.274737 hours remaining, 236.152344 MB of memory in use. ENERGY: 4685400 3996.8498 20559.3514 14457.1243 209.2195 -203191.8104 2687.1070 0.0000 0.0000 51768.5811 -109513.5773 297.5147 -161282.1584 -109152.5855 298.8308 72.3052 102.5969 760971.5224 7.8141 7.9642 PRESSURE: 4685600 6.22941 26.5318 -8.70931 26.5319 -52.5516 69.945 -8.70845 69.9459 -271.202 GPRESSURE: 4685600 84.7386 4.60437 -37.0608 -11.3039 -152.231 120.652 -20.2312 98.8293 -204.307 PRESSAVG: 4685600 101.129 -39.6564 31.817 -39.6564 -29.4462 13.4014 31.817 13.4014 0.50834 GPRESSAVG: 4685600 101.597 -40.7016 31.7505 -40.4347 -29.8035 13.5731 33.3362 9.65293 0.209218 TIMING: 4685600 CPU: 14816.2, 0.00314507/step Wall: 14816.2, 0.00314507/step, 0.274669 hours remaining, 236.152344 MB of memory in use. ENERGY: 4685600 3965.8687 20356.7953 14502.7064 243.5576 -203603.6641 2679.2317 0.0000 0.0000 52251.3605 -109604.1439 300.2893 -161855.5044 -109238.2712 298.8400 -105.8414 -90.5996 760981.2368 24.0637 24.0008 PRESSURE: 4685800 352.61 -132.555 -106.161 -132.555 -83.4013 80.0239 -106.161 80.0246 -125.645 GPRESSURE: 4685800 308.837 -153.178 -110.57 -20.757 23.3957 24.1438 -33.1325 172.821 -93.7051 PRESSAVG: 4685800 42.75 -42.45 -18.5233 -42.45 -60.3356 -25.798 -18.5233 -25.7981 -3.77445 GPRESSAVG: 4685800 42.7925 -43.1502 -18.0266 -42.3791 -59.7129 -24.5245 -17.129 -24.2789 -4.31893 TIMING: 4685800 CPU: 14816.8, 0.00314103/step Wall: 14816.8, 0.00314103/step, 0.274142 hours remaining, 236.152344 MB of memory in use. ENERGY: 4685800 3943.2566 20422.4754 14473.2537 237.9899 -203158.0726 2627.1701 0.0000 0.0000 51830.2521 -109623.6749 297.8692 -161453.9269 -109272.4028 298.3187 47.8544 79.5093 761667.7798 -7.1200 -7.0798 PRESSURE: 4686000 46.9697 -108.836 182.31 -108.836 -9.97109 67.1868 182.31 67.1871 180.711 GPRESSURE: 4686000 57.447 -94.2327 186.704 -75.8978 24.874 39.5742 175.037 77.6931 211.93 PRESSAVG: 4686000 21.3985 -46.9279 37.729 -46.9279 -35.2666 18.4465 37.729 18.4466 -4.64433 GPRESSAVG: 4686000 21.2446 -46.6315 35.8852 -47.2841 -35.7546 17.1022 37.776 19.1448 -4.12913 TIMING: 4686000 CPU: 14817.5, 0.00314258/step Wall: 14817.5, 0.00314258/step, 0.274103 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: 4686000 4018.2010 20576.4163 14448.6945 249.4136 -203029.1512 2361.8478 0.0000 0.0000 51781.2176 -109593.3604 297.5874 -161374.5780 -109235.5903 298.6569 72.5699 98.0838 760818.0868 -6.1708 -6.2130 PRESSURE: 4686200 1.80725 122.254 -151.742 122.254 -389.223 -163.074 -151.742 -163.072 -10.6345 GPRESSURE: 4686200 4.20453 95.2352 -123.537 58.2441 -355.559 -109.499 -98.3484 -87.3007 52.4013 PRESSAVG: 4686200 33.3562 -71.4606 76.4031 -71.4606 -69.5605 -16.9192 76.403 -16.9192 -0.112896 GPRESSAVG: 4686200 33.4715 -71.9189 76.1368 -70.5623 -70.0292 -16.1992 74.5209 -18.4389 0.463043 TIMING: 4686200 CPU: 14818.1, 0.00312722/step Wall: 14818.1, 0.00312722/step, 0.272589 hours remaining, 236.152344 MB of memory in use. ENERGY: 4686200 3904.7166 20393.0015 14478.7173 239.9112 -203330.7176 2653.2589 0.0000 0.0000 52053.5029 -109607.6093 299.1522 -161661.1122 -109237.4863 298.6699 -132.6834 -99.6510 763470.8492 -12.1058 -12.0316 PRESSURE: 4686400 -61.3606 77.3078 73.3094 77.3076 210.106 26.6495 73.3098 26.6491 -73.2978 GPRESSURE: 4686400 -7.07635 20.9018 49.2862 25.5348 232.215 135.384 60.4771 74.2201 -48.6213 PRESSAVG: 4686400 6.01976 -52.9319 -36 -52.932 2.99029 -24.1671 -36 -24.1671 1.0689 GPRESSAVG: 4686400 6.71893 -53.5486 -34.4255 -52.5862 2.00042 -23.8826 -35.1065 -22.9084 1.77315 TIMING: 4686400 CPU: 14818.7, 0.00314533/step Wall: 14818.7, 0.00314533/step, 0.273993 hours remaining, 236.152344 MB of memory in use. ENERGY: 4686400 3993.3366 20434.1539 14444.4710 229.8983 -203576.2600 2847.7191 0.0000 0.0000 51861.2834 -109765.3977 298.0475 -161626.6811 -109406.9612 298.7319 25.1491 58.8391 761532.7093 3.3597 3.4975 PRESSURE: 4686600 -55.951 -308.819 -37.2874 -308.819 155.361 -116.783 -37.2872 -116.783 433.726 GPRESSURE: 4686600 -46.6792 -237.558 -17.985 -188.555 223.915 7.31485 -94.5321 -252.37 435.406 PRESSAVG: 4686600 -6.09834 -82.6715 -34.3724 -82.6714 -3.26207 -58.2717 -34.3725 -58.2718 -4.94331 GPRESSAVG: 4686600 -6.52356 -80.6953 -34.5809 -84.0495 -1.84845 -56.4619 -35.7643 -60.0894 -5.64158 TIMING: 4686600 CPU: 14819.3, 0.00315366/step Wall: 14819.3, 0.00315366/step, 0.274544 hours remaining, 236.152344 MB of memory in use. ENERGY: 4686600 3910.5772 20591.1810 14524.0577 232.9967 -203391.2597 2668.9781 0.0000 0.0000 51847.4202 -109616.0487 297.9678 -161463.4689 -109254.4214 298.3543 177.7119 204.2138 759624.3979 -4.7679 -4.6712 PRESSURE: 4686800 -193.062 8.69339 131.609 8.693 27.2734 206.973 131.609 206.973 366.635 GPRESSURE: 4686800 -90.1214 36.1127 232.057 85.3157 66.4162 155.199 -69.6456 156.49 299.972 PRESSAVG: 4686800 -7.03431 -24.2223 15.2264 -24.2223 42.2633 -10.8689 15.2264 -10.8688 -8.52511 GPRESSAVG: 4686800 -5.9229 -25.4709 15.3666 -22.1762 41.8602 -13.3303 16.7188 -9.44451 -8.81657 TIMING: 4686800 CPU: 14820, 0.00314381/step Wall: 14820, 0.00314381/step, 0.273512 hours remaining, 236.152344 MB of memory in use. ENERGY: 4686800 4080.9204 20543.4333 14480.4938 252.1207 -203566.5426 2766.3092 0.0000 0.0000 51742.8502 -109700.4149 297.3669 -161443.2651 -109337.4237 298.6321 66.9488 92.0889 758667.3598 8.9013 9.0403 PRESSURE: 4687000 376.379 -91.1262 -99.3687 -91.126 73.9123 29.8789 -99.3695 29.8794 37.8886 GPRESSURE: 4687000 403.943 -123.764 -193.402 47.2233 63.7168 73.9419 -4.13139 75.5039 100.491 PRESSAVG: 4687000 21.264 -17.6882 8.06492 -17.6882 -41.3135 -21.7374 8.06489 -21.7374 -10.6939 GPRESSAVG: 4687000 20.086 -18.0039 6.87938 -17.5388 -40.5483 -20.6526 8.16009 -22.2784 -10.2626 TIMING: 4687000 CPU: 14820.6, 0.00316553/step Wall: 14820.6, 0.00316553/step, 0.275226 hours remaining, 236.152344 MB of memory in use. ENERGY: 4687000 3990.0804 20673.5197 14534.6381 239.1515 -203587.3553 2904.6752 0.0000 0.0000 51940.3609 -109304.9294 298.5020 -161245.2903 -108945.5403 298.6257 162.7268 189.3837 758877.3385 -10.2478 -10.2416 PRESSURE: 4687200 -11.6447 -110.155 34.2718 -110.155 -231.463 -31.6259 34.2722 -31.6269 -1036.4 GPRESSURE: 4687200 7.00732 -14.512 56.9215 -92.3938 -238.146 -78.056 -12.8362 66.0363 -942.163 PRESSAVG: 4687200 30.7645 -28.9947 -4.2748 -28.9947 -23.9987 -9.29205 -4.27481 -9.29204 11.1245 GPRESSAVG: 4687200 31.5808 -26.8044 -4.94619 -30.5074 -25.6558 -9.45407 -2.04972 -8.30069 11.7942 TIMING: 4687200 CPU: 14821.2, 0.00317172/step Wall: 14821.2, 0.00317172/step, 0.275587 hours remaining, 236.152344 MB of memory in use. ENERGY: 4687200 4046.4358 20450.7090 14550.4471 253.1367 -203261.0606 2642.9673 0.0000 0.0000 51967.8571 -109349.5075 298.6600 -161317.3646 -108985.8503 299.5208 -426.5016 -391.1008 761477.0704 5.9634 5.9064 PRESSURE: 4687400 39.0597 11.7534 81.7096 11.7525 -275.704 -68.6456 81.7089 -68.6449 -179.17 GPRESSURE: 4687400 -24.7636 37.5539 34.9431 13.1928 -136.68 74.6648 128.885 26.3741 -163.309 PRESSAVG: 4687400 42.6732 -5.29001 27.6616 -5.28993 -12.598 -58.3119 27.6616 -58.3119 11.7577 GPRESSAVG: 4687400 40.7102 -6.87268 29.159 -4.47323 -10.5313 -58.7181 25.2704 -58.1001 11.508 TIMING: 4687400 CPU: 14821.9, 0.00315463/step Wall: 14821.9, 0.00315463/step, 0.273927 hours remaining, 236.152344 MB of memory in use. ENERGY: 4687400 3970.6147 20618.2955 14605.7232 263.3434 -203559.7942 2668.7536 0.0000 0.0000 52067.4342 -109365.6297 299.2323 -161433.0639 -109006.5885 299.3204 -138.6049 -108.2509 761662.5355 13.9443 13.8957 PRESSURE: 4687600 -375.463 -161.315 114.215 -161.314 -100.833 -3.81401 114.214 -3.81478 156.006 GPRESSURE: 4687600 -285.182 -218.516 89.5971 -157.318 -112.697 -130.255 87.83 -7.87595 141.439 PRESSAVG: 4687600 -4.12252 31.8179 25.5532 31.8179 -8.48291 -51.7013 25.5533 -51.7014 -34.091 GPRESSAVG: 4687600 -3.34355 31.4479 25.1602 29.4825 -9.18027 -52.0126 25.351 -52.381 -34.0783 TIMING: 4687600 CPU: 14822.5, 0.00312864/step Wall: 14822.5, 0.00312864/step, 0.271497 hours remaining, 236.152344 MB of memory in use. ENERGY: 4687600 3989.2969 20440.1042 14558.6141 253.0354 -203516.6517 2711.0027 0.0000 0.0000 51963.6479 -109600.9506 298.6358 -161564.5985 -109235.1751 298.6295 -106.7634 -85.4802 763165.9451 -15.5655 -15.5340 PRESSURE: 4687800 55.3276 39.8171 71.4782 39.8176 -95.725 -130.812 71.4784 -130.813 -72.2123 GPRESSURE: 4687800 70.7264 11.5958 57.6516 136.07 -65.5957 -132.646 73.1957 -154.043 -34.3886 PRESSAVG: 4687800 30.5762 0.582652 -4.10636 0.582636 -36.0936 14.0491 -4.10637 14.0491 19.8179 GPRESSAVG: 4687800 30.2763 1.7319 -3.65945 1.30241 -35.3598 13.5872 -4.13216 13.7628 19.3606 TIMING: 4687800 CPU: 14823.1, 0.00314775/step Wall: 14823.1, 0.00314775/step, 0.27298 hours remaining, 236.152344 MB of memory in use. ENERGY: 4687800 3980.3459 20450.1699 14572.3404 244.4540 -203399.3272 2658.8564 0.0000 0.0000 51867.1782 -109625.9823 298.0814 -161493.1605 -109261.8870 298.6734 -37.5366 -9.7526 761531.8251 4.7668 4.7590 PRESSURE: 4688000 -370.105 69.1863 -229.915 69.1862 -104.466 -273.355 -229.915 -273.355 21.0685 GPRESSURE: 4688000 -306.466 117.515 -250.69 82.2059 -106.014 -224.787 -101.965 -62.7024 59.3791 PRESSAVG: 4688000 69.3569 -17.0041 3.87771 -17.0041 -56.6417 -7.05035 3.87767 -7.05033 9.47206 GPRESSAVG: 4688000 69.5887 -16.3935 4.32365 -16.9235 -57.9669 -7.37567 2.99308 -4.43649 10.4777 TIMING: 4688000 CPU: 14823.8, 0.00316095/step Wall: 14823.8, 0.00316095/step, 0.273949 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: 4688000 3986.6645 20543.0469 14496.4854 253.4709 -203348.0908 2397.8127 0.0000 0.0000 52002.0268 -109668.5836 298.8564 -161670.6104 -109301.3680 298.4526 -151.1674 -117.7001 761922.7110 7.3958 7.3665 PRESSURE: 4688200 2.91247 -14.211 -187.489 -14.212 -80.5162 116.437 -187.49 116.437 -542.354 GPRESSURE: 4688200 47.2881 -109.791 -246.432 78.2237 -68.8595 101.214 -178.601 29.2992 -520.243 PRESSAVG: 4688200 24.9682 -62.6687 46.0293 -62.6688 -61.7091 -6.72279 46.0292 -6.72279 5.22632 GPRESSAVG: 4688200 25.4256 -64.9055 45.2293 -60.1813 -62.4557 -6.28271 46.3281 -8.63771 5.01102 TIMING: 4688200 CPU: 14824.4, 0.00316934/step Wall: 14824.4, 0.00316934/step, 0.2745 hours remaining, 236.152344 MB of memory in use. ENERGY: 4688200 4000.8877 20472.1392 14497.4527 241.7843 -203242.0100 2506.4489 0.0000 0.0000 51740.7140 -109782.5832 297.3546 -161523.2973 -109427.8788 298.2185 -206.6526 -180.6049 760737.6243 -10.5049 -10.6730 LDB: ============= START OF LOAD BALANCING ============== 14836.9 LDB: ============== END OF LOAD BALANCING =============== 14836.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14836.9 LDB: ============= START OF LOAD BALANCING ============== 14837.2 LDB: Largest compute 7077 load 0.033182 is 17.0% of average load 0.195660 LDB: Average compute 0.004381 is 2.2% of average load 0.195660 LDB: TIME 14837.2 LOAD: AVG 0.19566 MAX 0.214339 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.871 MB LDB: TIME 14837.2 LOAD: AVG 0.19566 MAX 0.214339 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 14837.2 LOAD: AVG 0.19566 MAX 0.214339 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 14837.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14837.2 PRESSURE: 4688400 35.4098 -40.3255 181.988 -40.3258 -38.2685 83.1198 181.987 83.1184 -13.3702 GPRESSURE: 4688400 86.3221 -74.9755 149.385 116.202 -38.1099 -3.53273 179.133 121.516 25.4263 PRESSAVG: 4688400 38.4089 -50.8379 9.72893 -50.8378 -32.8593 -30.5635 9.72897 -30.5635 14.2848 GPRESSAVG: 4688400 37.2561 -49.1352 9.86458 -50.6099 -31.4179 -30.3979 10.9364 -31.1403 13.8616 TIMING: 4688400 CPU: 14825, 0.00323067/step Wall: 14825, 0.00323067/step, 0.279632 hours remaining, 235.394531 MB of memory in use. ENERGY: 4688400 4015.8255 20495.6974 14544.6566 248.4852 -203711.3840 2759.8660 0.0000 0.0000 52034.2714 -109612.5819 299.0417 -161646.8533 -109251.1521 298.5397 -5.4096 24.5462 760566.9209 6.6115 6.5666 PRESSURE: 4688600 128.179 -12.2295 -126.723 -12.2289 -194.122 -562.576 -126.722 -562.577 -81.0347 GPRESSURE: 4688600 202.16 -98.6219 -104.614 -24.1253 -202.898 -616.273 -172.356 -398.65 -53.5708 PRESSAVG: 4688600 51.7259 30.5467 -33.2065 30.5467 -11.8056 -33.6899 -33.2065 -33.6899 5.84357 GPRESSAVG: 4688600 51.9408 30.0758 -32.9454 27.1692 -12.5127 -32.139 -31.7672 -34.2256 5.97286 TIMING: 4688600 CPU: 14825.7, 0.00315304/step Wall: 14825.7, 0.00315304/step, 0.272738 hours remaining, 235.394531 MB of memory in use. ENERGY: 4688600 4012.3766 20612.7456 14466.7878 258.3609 -203627.2010 2660.7220 0.0000 0.0000 51873.2390 -109742.9691 298.1162 -161616.2081 -109382.8826 298.4558 -48.9927 -18.1030 761888.2995 15.2546 15.1337 PRESSURE: 4688800 -90.3814 -46.2568 -207.226 -46.2567 118.684 222.119 -207.226 222.119 -15.9759 GPRESSURE: 4688800 -47.7113 -27.2004 -279.162 -14.3121 57.9106 174.783 -176.403 162.567 70.2208 PRESSAVG: 4688800 -7.6441 5.41371 -7.24246 5.41362 -14.2188 -10.6878 -7.2425 -10.6878 0.967791 GPRESSAVG: 4688800 -5.8685 5.52877 -8.00155 6.51138 -15.4248 -11.7104 -8.31156 -8.06125 0.337464 TIMING: 4688800 CPU: 14826.3, 0.00314308/step Wall: 14826.3, 0.00314308/step, 0.271702 hours remaining, 235.394531 MB of memory in use. ENERGY: 4688800 4017.3647 20219.0856 14443.4778 239.1499 -203337.9117 2426.8448 0.0000 0.0000 52257.1752 -109734.8137 300.3227 -161991.9889 -109362.7005 298.5187 4.1088 26.8067 760328.0932 -6.9650 -6.9853 PRESSURE: 4689000 190.034 74.52 31.4649 74.5203 -289.214 87.2273 31.4656 87.2284 123.357 GPRESSURE: 4689000 181.253 13.6566 -12.9579 199.935 -231.969 146.838 43.7456 207.855 156.231 PRESSAVG: 4689000 99.817 -16.8107 0.0790591 -16.8107 -61.0774 72.5161 0.0790591 72.5161 2.54573 GPRESSAVG: 4689000 98.102 -15.9273 0.536312 -14.1705 -59.8913 73.3323 -0.613707 68.9697 3.26765 TIMING: 4689000 CPU: 14826.9, 0.00316211/step Wall: 14826.9, 0.00316211/step, 0.273171 hours remaining, 235.839844 MB of memory in use. ENERGY: 4689000 4020.0908 20546.8350 14528.4560 238.5022 -203531.1009 2584.4871 0.0000 0.0000 51945.3627 -109667.3671 298.5307 -161612.7298 -109308.7787 298.8296 8.0588 35.1718 762036.2166 13.7618 13.8261 PRESSURE: 4689200 649.343 -37.6975 -56.7588 -37.6978 -106.365 -90.4082 -56.7589 -90.4069 98.3064 GPRESSURE: 4689200 728.913 2.28342 -62.4387 -47.0089 -176.915 -60.6307 -40.5854 -169.398 165.817 PRESSAVG: 4689200 51.3515 -31.6745 -22.8776 -31.6745 -48.3353 -35.0175 -22.8776 -35.0175 -19.1171 GPRESSAVG: 4689200 50.5914 -33.1332 -21.545 -32.7529 -47.1649 -35.2573 -24.8461 -32.918 -19.7806 TIMING: 4689200 CPU: 14827.6, 0.0031665/step Wall: 14827.6, 0.0031665/step, 0.273374 hours remaining, 235.839844 MB of memory in use. ENERGY: 4689200 3972.5407 20317.5909 14491.1892 239.3105 -203630.0460 2839.3976 0.0000 0.0000 51989.6762 -109780.3409 298.7854 -161770.0171 -109419.1381 298.9157 213.7614 239.2716 759765.1061 -5.3670 -5.4514 PRESSURE: 4689400 -31.55 61.9118 78.0622 61.9117 -400.429 26.0555 78.0628 26.055 362.427 GPRESSURE: 4689400 -1.33001 33.5212 122.67 48.8733 -295.675 -39.4991 51.5976 -7.16102 339.738 PRESSAVG: 4689400 63.3271 -33.648 -6.73874 -33.6479 -67.4533 -26.2237 -6.73873 -26.2237 5.13744 GPRESSAVG: 4689400 64.0391 -32.5969 -8.52067 -34.9714 -66.697 -27.1687 -5.6308 -25.5419 3.45456 TIMING: 4689400 CPU: 14828.2, 0.00316698/step Wall: 14828.2, 0.00316698/step, 0.27324 hours remaining, 235.839844 MB of memory in use. ENERGY: 4689400 4011.7809 20465.7766 14588.5730 252.7422 -203274.0287 2491.9820 0.0000 0.0000 51881.9255 -109581.2485 298.1661 -161463.1740 -109211.0931 299.2093 -23.1841 14.2444 762268.1445 0.3371 0.2655 PRESSURE: 4689600 151.341 79.362 7.67541 79.363 -130.344 7.23497 7.67566 7.2358 -71.3501 GPRESSURE: 4689600 116.854 102.98 0.809302 77.9444 -36.0952 26.1749 3.53231 72.8037 -45.5363 PRESSAVG: 4689600 48.4254 36.1302 45.087 36.1302 -94.8935 24.3289 45.087 24.3289 13.6835 GPRESSAVG: 4689600 47.3078 37.0968 45.6889 36.3817 -95.826 24.1061 47.5442 24.1088 15.4231 TIMING: 4689600 CPU: 14828.8, 0.00316562/step Wall: 14828.8, 0.00316562/step, 0.272947 hours remaining, 235.839844 MB of memory in use. ENERGY: 4689600 3995.0598 20396.5699 14574.3129 250.2186 -203255.1809 2420.7583 0.0000 0.0000 52025.3379 -109592.9234 298.9903 -161618.2614 -109245.3468 298.8465 -16.7843 11.7407 760825.8002 -10.9282 -11.0317 PRESSURE: 4689800 -147.607 -59.1626 -3.45373 -59.1628 -97.22 -132.418 -3.45438 -132.417 -23.4012 GPRESSURE: 4689800 -99.1148 -95.3437 38.6633 -66.8612 -100.63 -12.7961 -167.887 -94.7461 21.6148 PRESSAVG: 4689800 62.9318 25.5301 -4.29132 25.53 -64.9304 -0.370394 -4.29132 -0.370432 -8.6561 GPRESSAVG: 4689800 62.8219 24.3367 -4.99964 27.0274 -65.9266 -0.266901 -5.07016 -0.840296 -8.12288 TIMING: 4689800 CPU: 14829.5, 0.00315429/step Wall: 14829.5, 0.00315429/step, 0.271795 hours remaining, 235.839844 MB of memory in use. ENERGY: 4689800 4042.8937 20397.2776 14505.6900 247.0052 -203173.0511 2479.5803 0.0000 0.0000 52049.6307 -109450.9735 299.1299 -161500.6042 -109081.7882 299.0327 -89.4093 -59.3768 762548.3192 -3.5516 -3.7425 PRESSURE: 4690000 -34.7801 -250.374 -231.196 -250.374 -7.23241 -118.411 -231.196 -118.412 377.724 GPRESSURE: 4690000 48.0041 -112.719 -168.601 -296.183 -77.4686 -137.572 -281.852 17.679 439.028 PRESSAVG: 4690000 -14.2979 40.1722 -15.7657 40.1723 -34.6748 -30.3094 -15.7657 -30.3093 23.8457 GPRESSAVG: 4690000 -13.8147 42.0166 -14.503 39.7025 -34.7266 -30.2467 -18.2235 -30.3404 23.2785 TIMING: 4690000 CPU: 14830.1, 0.00316241/step Wall: 14830.1, 0.00316241/step, 0.272319 hours remaining, 235.906250 MB of memory 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 4049.5109 20445.2320 14531.1342 256.0904 -203337.3157 2501.5445 0.0000 0.0000 51917.7840 -109636.0196 298.3722 -161553.8036 -109275.8981 298.8070 111.9038 136.5212 760032.1073 -8.3757 -8.4209 PRESSURE: 4690200 -115.14 58.2478 2.75073 58.2481 -513.517 -66.6846 2.7509 -66.685 -227.724 GPRESSURE: 4690200 -189.93 8.62392 -12.7612 28.2842 -331.69 -48.3074 10.3236 -62.4813 -263.289 PRESSAVG: 4690200 23.9146 40.5997 32.1076 40.5998 -1.41433 -61.7462 32.1076 -61.7461 -1.20587 GPRESSAVG: 4690200 23.2324 37.913 30.7162 39.5467 0.533993 -60.4522 34.197 -60.7481 -2.71378 TIMING: 4690200 CPU: 14830.7, 0.00315184/step Wall: 14830.7, 0.00315184/step, 0.271233 hours remaining, 235.906250 MB of memory in use. ENERGY: 4690200 3953.2151 20438.6604 14554.4121 239.3272 -203257.4650 2349.6293 0.0000 0.0000 51975.4511 -109746.7698 298.7036 -161722.2209 -109379.5535 298.5949 -285.4606 -261.6364 760957.9311 7.0981 7.0176 PRESSURE: 4690400 205.589 -132.699 -61.0652 -132.699 -110.843 44.5127 -61.0657 44.5117 187.606 GPRESSURE: 4690400 263.179 -70.7217 -46.1659 -57.2246 -83.0601 51.2242 -24.3536 -42.386 183.192 PRESSAVG: 4690400 -27.183 4.1109 -40.5959 4.11097 17.743 -24.2338 -40.5959 -24.2338 6.33374 GPRESSAVG: 4690400 -27.9324 4.39113 -41.8919 4.33738 17.1391 -24.639 -40.8577 -26.0762 7.95547 TIMING: 4690400 CPU: 14831.3, 0.00313971/step Wall: 14831.3, 0.0031397/step, 0.270015 hours remaining, 235.906250 MB of memory in use. ENERGY: 4690400 3949.2729 20479.5158 14486.4429 268.1871 -203193.3575 2335.8665 0.0000 0.0000 52007.5000 -109666.5725 298.8878 -161674.0725 -109306.7538 298.8614 94.1176 121.1036 758807.9370 -1.0354 -0.9459 PRESSURE: 4690600 -117.571 220.075 118.441 220.074 -130.048 -98.4234 118.44 -98.4228 -130.922 GPRESSURE: 4690600 -90.6679 212.329 111.25 170.78 -1.14333 -177.545 62.9939 -21.7504 -183.888 PRESSAVG: 4690600 21.1069 -35.365 18.8137 -35.365 -17.3488 7.72095 18.8138 7.72098 12.0473 GPRESSAVG: 4690600 20.9196 -33.4188 19.4307 -35.2332 -16.5651 7.97393 18.5571 6.57752 10.7909 TIMING: 4690600 CPU: 14832, 0.00314507/step Wall: 14832, 0.00314507/step, 0.270301 hours remaining, 235.882812 MB of memory in use. ENERGY: 4690600 3874.6830 20396.9069 14509.6042 243.9415 -203281.1898 2343.7125 0.0000 0.0000 52209.3074 -109703.0343 300.0476 -161912.3417 -109331.4501 298.4600 -126.1805 -91.8998 761261.9524 5.2685 5.0485 PRESSURE: 4690800 -2.94766 40.5171 -240.177 40.5174 180.502 -67.8008 -240.177 -67.8002 4.60139 GPRESSURE: 4690800 103.137 88.4938 -205.503 161.606 173.097 -46.574 -232.524 -101.522 -2.62845 PRESSAVG: 4690800 10.1751 -19.7516 -54.4397 -19.7516 9.40758 6.33496 -54.4397 6.33491 11.9319 GPRESSAVG: 4690800 9.96736 -20.344 -54.4835 -18.5978 9.1154 4.86362 -53.9291 6.892 12.4924 TIMING: 4690800 CPU: 14832.6, 0.0031435/step Wall: 14832.6, 0.0031435/step, 0.269992 hours remaining, 235.906250 MB of memory in use. ENERGY: 4690800 3958.5311 20309.2561 14540.3918 259.9532 -203378.4639 2801.3883 0.0000 0.0000 52023.6956 -109485.2479 298.9809 -161508.9434 -109115.7495 298.9731 60.7186 91.2019 761188.6756 10.5048 10.5250 PRESSURE: 4691000 -56.2535 37.9175 -19.1812 37.918 27.8313 -177.394 -19.1805 -177.394 3.91701 GPRESSURE: 4691000 -8.65056 -10.1687 -54.0845 -67.2755 0.96992 -184.399 165.615 -52.8287 57.5855 PRESSAVG: 4691000 53.9409 -34.9176 -6.05459 -34.9176 -68.4303 -12.9574 -6.05451 -12.9574 -9.21442 GPRESSAVG: 4691000 53.4739 -36.0113 -6.55075 -35.5205 -68.7404 -12.3691 -5.99031 -12.3192 -8.94978 TIMING: 4691000 CPU: 14833.2, 0.00317009/step Wall: 14833.2, 0.00317009/step, 0.272099 hours remaining, 235.906250 MB of memory in use. ENERGY: 4691000 3974.7617 20494.0953 14514.5858 282.0263 -203364.4417 2563.5105 0.0000 0.0000 51740.6007 -109794.8614 297.3539 -161535.4621 -109436.1653 298.6678 -8.1684 16.6349 762373.3434 -7.9013 -8.0721 PRESSURE: 4691200 -115.773 -59.1875 -98.8664 -59.1876 -241.67 134.858 -98.8659 134.859 -213.457 GPRESSURE: 4691200 -74.7805 82.4199 -117.838 -18.5586 -196.327 123.877 -74.805 139.525 -221.697 PRESSAVG: 4691200 -55.159 10.757 -13.9543 10.757 1.77578 -9.72601 -13.9543 -9.726 7.95531 GPRESSAVG: 4691200 -53.6615 11.6611 -12.784 11.9805 2.00341 -10.2491 -14.1759 -10.321 6.71983 TIMING: 4691200 CPU: 14833.9, 0.00317717/step Wall: 14833.9, 0.00317717/step, 0.272531 hours remaining, 235.906250 MB of memory in use. ENERGY: 4691200 3988.2126 20352.1853 14537.9834 246.1491 -203554.1453 2713.1182 0.0000 0.0000 51819.9776 -109896.5191 297.8101 -161716.4967 -109525.8963 297.8001 -190.3002 -164.2680 761474.1923 -15.1426 -14.9794 PRESSURE: 4691400 -148.474 9.35354 -287.979 9.35406 -300.835 -213.076 -287.98 -213.076 -213.937 GPRESSURE: 4691400 -147.596 110.729 -283.176 -23.4114 -257.172 -195.36 -264.483 -182.03 -190.739 PRESSAVG: 4691400 -74.0671 9.37584 -3.99933 9.37589 80.4035 -0.62741 -3.99942 -0.627474 10.5498 GPRESSAVG: 4691400 -75.6706 9.51083 -2.04564 8.76211 80.3685 -1.25353 -5.93339 0.246311 11.6902 TIMING: 4691400 CPU: 14834.5, 0.00314001/step Wall: 14834.5, 0.00314001/step, 0.269169 hours remaining, 235.906250 MB of memory in use. ENERGY: 4691400 4008.1292 20509.0722 14488.0203 271.4519 -203477.3542 2583.6686 0.0000 0.0000 51759.9992 -109857.0128 297.4654 -161617.0120 -109507.4387 298.1661 -221.0820 -198.5024 762356.6518 5.6287 5.4627 PRESSURE: 4691600 -32.2636 86.7187 41.8555 86.7189 178.477 115.751 41.8549 115.75 130.498 GPRESSURE: 4691600 5.68277 20.6071 111.9 159.478 225.376 145.002 -14.1397 30.8268 121.772 PRESSAVG: 4691600 -49.3648 28.558 0.40658 28.5579 21.6586 -9.11559 0.406493 -9.11559 -13.8779 GPRESSAVG: 4691600 -49.4535 26.0177 -3.06282 28.6222 21.8545 -9.65037 3.19322 -8.82652 -13.865 TIMING: 4691600 CPU: 14835.1, 0.00314928/step Wall: 14835.1, 0.00314928/step, 0.269788 hours remaining, 235.906250 MB of memory in use. ENERGY: 4691600 3926.5807 20268.8788 14530.0571 234.7455 -203318.0491 2503.0051 0.0000 0.0000 51792.8710 -110061.9110 297.6543 -161854.7820 -109690.2415 297.9403 92.2370 117.6102 763000.3558 -13.8614 -13.8213 PRESSURE: 4691800 -104.281 36.1552 -78.7886 36.155 3.62558 159.958 -78.7891 159.958 -108.659 GPRESSURE: 4691800 6.32553 96.4306 -129.765 7.09948 -19.5568 204.977 27.992 163.883 -112.81 PRESSAVG: 4691800 -36.508 34.1376 23.3075 34.1376 47.0373 -39.577 23.3076 -39.577 25.1071 GPRESSAVG: 4691800 -35.902 37.7961 22.0334 30.9537 47.3455 -36.2589 22.1138 -41.9148 24.3653 TIMING: 4691800 CPU: 14835.8, 0.00317766/step Wall: 14835.8, 0.00317766/step, 0.272043 hours remaining, 235.906250 MB of memory in use. ENERGY: 4691800 3890.6896 20338.4286 14547.2774 252.9313 -203378.8313 2635.9683 0.0000 0.0000 51915.0177 -109798.5184 298.3563 -161713.5361 -109440.3018 297.9038 -69.7714 -42.0139 763270.3316 11.8788 11.9363 PRESSURE: 4692000 225.103 117.888 356.832 117.887 127.877 -19.0137 356.833 -19.0129 177.01 GPRESSURE: 4692000 245.907 108.582 358.929 246.461 137.406 -11.6589 272.614 6.11927 210.458 PRESSAVG: 4692000 -13.4724 24.9453 34.8782 24.9453 -55.5105 19.8762 34.8783 19.8762 2.00382 GPRESSAVG: 4692000 -13.62 23.663 39.2665 26.887 -55.1646 18.2824 33.4584 21.6227 1.97934 TIMING: 4692000 CPU: 14836.4, 0.00317004/step Wall: 14836.4, 0.00317004/step, 0.271215 hours remaining, 235.906250 MB of memory 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 3924.4712 20403.4625 14461.4183 257.8212 -203105.7616 2406.8023 0.0000 0.0000 51723.2052 -109928.5807 297.2540 -161651.7860 -109576.6783 297.7811 176.6633 197.9237 763220.3668 -22.3263 -22.2684 PRESSURE: 4692200 14.6257 27.8775 74.9913 27.8775 -365.366 -64.3934 74.9918 -64.3939 295.673 GPRESSURE: 4692200 -3.39526 37.3363 85.4683 -67.5568 -278.013 -50.2469 112.959 -112.716 322.593 PRESSAVG: 4692200 -19.0348 -20.2221 55.1764 -20.2221 -6.51328 -37.6738 55.1764 -37.6738 30.6488 GPRESSAVG: 4692200 -17.5483 -20.0764 53.1723 -19.1156 -8.05604 -36.5214 54.5417 -38.442 30.487 TIMING: 4692200 CPU: 14837, 0.00317497/step Wall: 14837, 0.00317497/step, 0.27146 hours remaining, 235.906250 MB of memory in use. ENERGY: 4692200 3927.6616 20408.2145 14507.6489 240.8303 -203315.4455 2544.2793 0.0000 0.0000 51714.8697 -109971.9412 297.2061 -161686.8108 -109616.0719 297.5727 -18.3557 13.7284 764712.1012 1.7002 1.6276 LDB: ============= START OF LOAD BALANCING ============== 14849.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14849.6 LDB: =============== DONE WITH MIGRATION ================ 14849.6 LDB: ============= START OF LOAD BALANCING ============== 14849.9 LDB: Largest compute 7076 load 0.035512 is 18.2% of average load 0.195499 LDB: Average compute 0.004378 is 2.2% of average load 0.195499 LDB: TIME 14849.9 LOAD: AVG 0.195499 MAX 0.214963 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.945 MB LDB: TIME 14849.9 LOAD: AVG 0.195499 MAX 0.214963 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.148 MB LDB: TIME 14849.9 LOAD: AVG 0.195499 MAX 0.214963 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.148 MB LDB: ============== END OF LOAD BALANCING =============== 14849.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14849.9 PRESSURE: 4692400 -119.094 -56.8005 100.063 -56.8 -6.65367 23.0455 100.063 23.0444 163.896 GPRESSURE: 4692400 -112.306 -76.4171 144.106 18.6286 49.1997 24.2022 24.0357 49.0007 193.3 PRESSAVG: 4692400 12.28 3.61923 -17.6449 3.61922 -33.9276 -5.71811 -17.6449 -5.71815 1.54934 GPRESSAVG: 4692400 10.9454 4.55328 -16.1064 1.66016 -32.6686 -7.94809 -15.4846 -6.05696 1.82446 TIMING: 4692400 CPU: 14837.7, 0.0032362/step Wall: 14837.7, 0.0032362/step, 0.276515 hours remaining, 235.652344 MB of memory in use. ENERGY: 4692400 3966.2595 20512.2188 14487.3797 239.7603 -203432.2737 2617.7094 0.0000 0.0000 51659.6549 -109949.2911 296.8887 -161608.9460 -109595.5322 297.4556 12.7160 43.3981 762723.5083 -6.6994 -6.6329 PRESSURE: 4692600 -389.754 -96.6398 124.443 -96.64 46.8242 66.7624 124.443 66.7624 -315.971 GPRESSURE: 4692600 -302.109 -112.89 178.337 -45.5027 -10.584 228.821 94.077 18.3198 -287.307 PRESSAVG: 4692600 -28.6442 -42.8592 28.8957 -42.8591 2.69885 41.1117 28.8957 41.1118 -8.49666 GPRESSAVG: 4692600 -26.6138 -45.5606 27.0613 -39.9663 1.37755 42.4132 29.9403 41.9839 -8.8174 TIMING: 4692600 CPU: 14838.3, 0.00315833/step Wall: 14838.3, 0.00315833/step, 0.269686 hours remaining, 235.855469 MB of memory in use. ENERGY: 4692600 4017.5267 20391.5520 14542.2920 253.0390 -203337.3467 2539.4577 0.0000 0.0000 51895.9724 -109697.5068 298.2469 -161593.4792 -109332.6628 297.6777 -219.6337 -200.0000 763009.6723 -11.4807 -11.3512 PRESSURE: 4692800 291.448 -65.6813 -35.8712 -65.681 226.252 -205.5 -35.8708 -205.5 -99.948 GPRESSURE: 4692800 157.983 -41.7566 -76.4643 -159.67 354.95 -145.297 28.7304 -209.982 -36.2655 PRESSAVG: 4692800 18.7911 -2.50304 6.91737 -2.50303 8.80005 27.3226 6.91736 27.3226 22.2908 GPRESSAVG: 4692800 17.3268 -0.908234 6.07431 -3.71773 9.08296 26.5921 6.75604 27.3227 23.5387 TIMING: 4692800 CPU: 14838.9, 0.00314609/step Wall: 14838.9, 0.00314609/step, 0.268466 hours remaining, 235.855469 MB of memory in use. ENERGY: 4692800 3955.8748 20420.6432 14501.0672 231.6182 -203570.8673 2803.7663 0.0000 0.0000 51868.3298 -109789.5679 298.0880 -161657.8977 -109432.4493 298.5768 139.2507 158.8892 759844.4120 16.6273 16.6495 PRESSURE: 4693000 -0.517091 -121.399 -205.729 -121.399 -45.0021 -194.986 -205.729 -194.986 -41.0783 GPRESSURE: 4693000 12.7556 -112.992 -199.651 -57.7317 5.79413 -188.117 -289.853 -173.455 -17.796 PRESSAVG: 4693000 12.8374 12.041 31.2637 12.0409 -19.8988 4.7262 31.2637 4.7262 15.8656 GPRESSAVG: 4693000 13.4011 13.5743 32.6028 11.9723 -19.6317 6.87242 30.058 1.95 15.3329 TIMING: 4693000 CPU: 14839.6, 0.00316414/step Wall: 14839.6, 0.00316414/step, 0.26983 hours remaining, 235.894531 MB of memory in use. ENERGY: 4693000 4034.3417 20377.5950 14497.4911 222.5780 -203372.4676 2504.8261 0.0000 0.0000 52157.2886 -109578.3471 299.7487 -161735.6356 -109209.1204 298.1558 -28.8658 0.2512 761348.7361 2.9347 3.0341 PRESSURE: 4693200 -135.757 15.8658 60.8273 15.866 -15.553 -80.5886 60.8268 -80.5887 -144.54 GPRESSURE: 4693200 -155.48 52.6573 88.5176 57.7371 38.3392 -18.4667 100.288 -61.5166 -91.617 PRESSAVG: 4693200 -38.7597 52.4509 9.4032 52.4509 58.9064 -40.8171 9.40316 -40.8171 31.1112 GPRESSAVG: 4693200 -37.4166 49.3975 9.85792 55.2055 59.7523 -42.9295 8.63377 -38.5685 29.3793 TIMING: 4693200 CPU: 14840.2, 0.0031659/step Wall: 14840.2, 0.0031659/step, 0.269805 hours remaining, 236.097656 MB of memory in use. ENERGY: 4693200 4043.8603 20356.2265 14509.1156 246.3777 -203234.3994 2609.7638 0.0000 0.0000 51852.6365 -109616.4191 297.9978 -161469.0556 -109260.1139 298.9601 -98.6167 -69.5859 762053.9759 17.0860 17.2383 PRESSURE: 4693400 -20.1355 199.008 125.577 199.009 153.245 -79.8217 125.577 -79.8213 81.6565 GPRESSURE: 4693400 -34.2437 334.277 106.445 48.2663 284.938 -33.6302 44.9817 -115.758 60.85 PRESSAVG: 4693400 -66.2796 62.3028 76.2385 62.3029 43.9138 -34.8115 76.2385 -34.8115 -8.7734 GPRESSAVG: 4693400 -66.7828 65.5861 75.4072 59.6002 43.2678 -33.8765 75.6363 -35.2717 -7.20608 TIMING: 4693400 CPU: 14840.8, 0.00315863/step Wall: 14840.8, 0.00315863/step, 0.26901 hours remaining, 236.097656 MB of memory in use. ENERGY: 4693400 3970.5678 20404.1625 14468.4573 280.0790 -203327.1531 2676.5070 0.0000 0.0000 51916.8999 -109610.4798 298.3671 -161527.3797 -109265.3086 298.5834 71.5886 103.8481 761100.3762 -10.3798 -10.2403 PRESSURE: 4693600 -154.408 -88.3371 -20.7544 -88.3374 -208.59 -27.2523 -20.7547 -27.2517 -121.104 GPRESSURE: 4693600 -139.522 -97.3514 34.7379 -39.1714 -154.1 14.2741 -36.6215 15.6713 -99.7065 PRESSAVG: 4693600 -41.0364 80.892 20.7612 80.892 50.868 -31.6911 20.7613 -31.691 -21.4696 GPRESSAVG: 4693600 -41.2893 78.0456 21.8962 78.9186 51.368 -31.1995 21.1323 -32.2168 -21.781 TIMING: 4693600 CPU: 14841.5, 0.00314901/step Wall: 14841.5, 0.00314901/step, 0.268016 hours remaining, 236.097656 MB of memory in use. ENERGY: 4693600 4026.3784 20553.7736 14479.3462 270.9195 -203150.5784 2389.3582 0.0000 0.0000 51939.6212 -109491.1812 298.4977 -161430.8025 -109130.1149 298.7557 -161.3676 -131.1097 762408.3693 -3.8793 -3.9008 PRESSURE: 4693800 286.092 148.984 77.5629 148.985 271.07 -106.404 77.5631 -106.404 -147.422 GPRESSURE: 4693800 322.673 31.5227 32.7877 173.4 238.666 -86.0621 133.85 -89.475 -39.6289 PRESSAVG: 4693800 -55.5254 -1.20681 59.3332 -1.20683 56.5045 -18.9407 59.3333 -18.9407 9.9646 GPRESSAVG: 4693800 -56.6224 0.306143 59.3423 1.11885 57.2005 -19.4943 59.078 -18.6335 11.0969 TIMING: 4693800 CPU: 14842.1, 0.00314074/step Wall: 14842.1, 0.00314074/step, 0.267137 hours remaining, 236.097656 MB of memory in use. ENERGY: 4693800 3955.0727 20485.2374 14450.6641 256.1876 -203485.9029 2711.2618 0.0000 0.0000 52076.4230 -109551.0565 299.2839 -161627.4794 -109201.6898 298.6385 136.5801 173.9034 759533.8739 3.6479 3.8917 PRESSURE: 4694000 19.2913 174.34 -130 174.34 696.228 -262.573 -130 -262.573 490.683 GPRESSURE: 4694000 144.928 26.8901 -113.779 91.7512 724.94 -185.863 -189.094 -208.583 414.293 PRESSAVG: 4694000 -34.3572 -15.1001 36.8005 -15.1 19.525 -42.5805 36.8004 -42.5805 4.1761 GPRESSAVG: 4694000 -33.0792 -14.405 36.2668 -16.2242 19.442 -43.8205 36.2297 -40.1873 3.07929 TIMING: 4694000 CPU: 14842.7, 0.00314394/step Wall: 14842.7, 0.00314394/step, 0.267235 hours remaining, 236.097656 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: 4694000 3932.6560 20250.6062 14506.9256 254.0302 -203163.6199 2505.5722 0.0000 0.0000 52127.3185 -109586.5111 299.5764 -161713.8297 -109225.6356 299.0270 402.0673 428.0534 761758.4219 -3.5520 -3.5193 PRESSURE: 4694200 -115.948 -72.0237 -200.716 -72.0239 -31.4959 123.457 -200.716 123.457 -59.944 GPRESSURE: 4694200 -66.4559 -27.3783 -139.966 -62.5292 -49.3481 106.262 -255.094 135.995 -22.0454 PRESSAVG: 4694200 32.1152 1.68788 -6.18329 1.68791 -14.5558 6.1945 -6.18327 6.19446 -20.1655 GPRESSAVG: 4694200 32.0259 1.14911 -6.48342 -0.212754 -14.7293 6.31341 -5.70273 4.56395 -20.0848 TIMING: 4694200 CPU: 14843.4, 0.00314868/step Wall: 14843.4, 0.00314868/step, 0.267463 hours remaining, 236.097656 MB of memory in use. ENERGY: 4694200 4015.8827 20311.7183 14532.3986 247.4605 -202955.4564 2590.2788 0.0000 0.0000 51788.8287 -109468.8888 297.6311 -161257.7175 -109106.3472 298.8697 -69.1291 -45.9498 761839.2858 -0.8687 -0.9294 PRESSURE: 4694400 -401.426 -134.027 -68.254 -134.028 -320.074 40.0139 -68.2534 40.0137 -34.3895 GPRESSURE: 4694400 -362.46 -250.445 -78.1502 -23.796 -236.296 72.5404 -49.5751 13.2562 -59.4849 PRESSAVG: 4694400 19.0747 -7.17051 4.86236 -7.17051 -17.3531 -35.0665 4.86235 -35.0666 2.0614 GPRESSAVG: 4694400 18.525 -6.51386 5.53933 -6.33078 -16.9917 -34.027 4.3004 -34.6275 1.94812 TIMING: 4694400 CPU: 14844, 0.00314814/step Wall: 14844, 0.00314814/step, 0.267242 hours remaining, 236.097656 MB of memory in use. ENERGY: 4694400 4022.3705 20490.3739 14461.2361 243.4320 -203273.2554 2582.7436 0.0000 0.0000 51917.4038 -109555.6956 298.3700 -161473.0994 -109190.8673 298.8605 -251.9631 -219.4136 760933.2113 1.2610 1.1605 PRESSURE: 4694600 235.085 -213.671 -9.1905 -213.671 84.2806 94.3311 -9.18919 94.3324 -197.125 GPRESSURE: 4694600 193.69 -143.176 55.3096 -250.034 172.03 100.295 -150.373 144.974 -150.651 PRESSAVG: 4694600 -4.20969 2.53588 -12.8953 2.53593 18.7847 -26.6173 -12.8953 -26.6175 8.26393 GPRESSAVG: 4694600 -3.93712 2.7602 -14.8868 1.88894 18.6452 -27.9156 -11.6929 -27.2736 7.97697 TIMING: 4694600 CPU: 14844.6, 0.00315076/step Wall: 14844.6, 0.00315076/step, 0.267289 hours remaining, 236.097656 MB of memory in use. ENERGY: 4694600 4015.9490 20502.9377 14446.3386 234.3785 -203108.7085 2482.0064 0.0000 0.0000 51904.5833 -109522.5150 298.2964 -161427.0983 -109174.9693 298.7684 40.7471 71.6897 761109.9571 7.6130 7.5617 PRESSURE: 4694800 -298.264 -209.464 -384.491 -209.464 -438.212 14.1691 -384.492 14.1698 -211.584 GPRESSURE: 4694800 -236.123 -116.969 -307.777 -123.839 -421.101 -46.5029 -301.152 -57.9719 -210.397 PRESSAVG: 4694800 -6.52743 -27.4311 -51.2716 -27.4311 35.819 -11.987 -51.2716 -11.987 8.26841 GPRESSAVG: 4694800 -7.65753 -25.0716 -49.4211 -26.2555 35.8005 -10.8201 -52.6368 -12.6339 9.57772 TIMING: 4694800 CPU: 14845.2, 0.00316717/step Wall: 14845.2, 0.00316717/step, 0.268505 hours remaining, 236.097656 MB of memory in use. ENERGY: 4694800 4048.8671 20359.3234 14507.0558 258.8062 -203135.9715 2583.1633 0.0000 0.0000 51811.4713 -109567.2844 297.7612 -161378.7557 -109209.4439 298.9262 -316.0200 -289.2068 761568.0370 12.5200 12.5736 PRESSURE: 4695000 -410.866 5.93636 -266.972 5.9357 -50.6846 -129.114 -266.972 -129.115 27.5169 GPRESSURE: 4695000 -400.143 59.5273 -251.747 66.2262 33.3144 -206.334 -191.271 -117.536 14.4699 PRESSAVG: 4695000 -80.892 -21.7432 56.0716 -21.7432 30.2388 -10.5815 56.0717 -10.5815 5.42842 GPRESSAVG: 4695000 -79.4279 -25.3299 56.105 -21.8462 29.2677 -11.3742 57.8721 -9.73703 4.56 TIMING: 4695000 CPU: 14845.9, 0.00315453/step Wall: 14845.9, 0.00315453/step, 0.267259 hours remaining, 236.097656 MB of memory in use. ENERGY: 4695000 4005.2867 20419.9474 14460.3587 245.0145 -202801.6807 2336.8718 0.0000 0.0000 51709.7615 -109624.4402 297.1767 -161334.2016 -109274.4118 298.3988 -144.6779 -117.4531 763073.9684 -15.0749 -15.2001 PRESSURE: 4695200 -491.299 220.866 -17.6981 220.865 -377.915 -338.127 -17.6988 -338.126 -156.901 GPRESSURE: 4695200 -397.77 295.347 -30.6867 210.238 -384.508 -332.357 64.9719 -197.764 -189.596 PRESSAVG: 4695200 -28.2804 -12.638 -8.37197 -12.638 19.0582 -55.7595 -8.37193 -55.7595 38.0932 GPRESSAVG: 4695200 -29.4767 -13.2054 -9.40281 -10.4373 20.1298 -55.1246 -6.86417 -54.8142 38.0043 TIMING: 4695200 CPU: 14846.5, 0.00314954/step Wall: 14846.5, 0.00314954/step, 0.266661 hours remaining, 236.097656 MB of memory in use. ENERGY: 4695200 3971.3684 20516.3380 14468.8092 251.0691 -203333.7501 2291.9366 0.0000 0.0000 52499.8403 -109334.3885 301.7173 -161834.2289 -108964.7530 298.7472 -342.0381 -323.9581 762064.2467 9.6237 9.5525 PRESSURE: 4695400 184.846 -198.221 188.775 -198.221 106.792 27.9424 188.774 27.9413 -34.2203 GPRESSURE: 4695400 171.17 -49.8768 80.8319 -214.61 242.507 114.294 148.346 -11.0043 -66.9498 PRESSAVG: 4695400 -34.2254 -14.6649 4.73053 -14.6648 59.3235 -28.0922 4.73054 -28.0922 -11.8794 GPRESSAVG: 4695400 -33.477 -14.2498 5.35285 -17.1186 58.4633 -27.3208 1.30753 -28.7345 -11.4008 TIMING: 4695400 CPU: 14847.1, 0.00314372/step Wall: 14847.1, 0.00314372/step, 0.265994 hours remaining, 236.097656 MB of memory in use. ENERGY: 4695400 4000.2032 20407.6396 14465.7929 264.9919 -203513.2126 2687.3064 0.0000 0.0000 52237.0333 -109450.2453 300.2069 -161687.2786 -109081.5821 299.5358 85.8059 115.5756 760467.2232 4.4062 4.5285 PRESSURE: 4695600 -120.285 -76.1408 -60.4422 -76.141 -248.285 -88.9993 -60.4416 -89.0012 -104.377 GPRESSURE: 4695600 -148.386 8.48834 -80.5297 -112.66 -135.35 -170.884 -36.3839 -100.467 -112.894 PRESSAVG: 4695600 -1.92521 -57.6826 37.9285 -57.6826 9.68498 -34.3091 37.9285 -34.3091 3.09992 GPRESSAVG: 4695600 -4.27585 -57.8202 37.2703 -58.7089 10.7513 -33.5757 40.2651 -37.3501 3.73168 TIMING: 4695600 CPU: 14847.8, 0.00316808/step Wall: 14847.8, 0.00316808/step, 0.267879 hours remaining, 236.097656 MB of memory in use. ENERGY: 4695600 4050.9551 20717.0144 14481.6154 238.3598 -203378.5839 2638.2100 0.0000 0.0000 51805.0613 -109447.3679 297.7244 -161252.4292 -109086.2705 299.5336 -157.6491 -132.2099 762423.5150 3.6199 3.4024 PRESSURE: 4695800 139.343 -24.9844 36.8708 -24.9842 56.2853 -116.804 36.8706 -116.803 -191.721 GPRESSURE: 4695800 196.082 44.6587 29.9101 -41.5098 -47.4263 -71.3167 1.973 9.49388 -41.912 PRESSAVG: 4695800 47.1146 1.74624 19.3254 1.74617 -38.1058 -57.2548 19.3253 -57.2546 16.598 GPRESSAVG: 4695800 46.7306 -0.0754112 19.3843 3.8864 -37.7745 -58.1835 18.3678 -54.353 16.8869 TIMING: 4695800 CPU: 14848.4, 0.00316895/step Wall: 14848.4, 0.00316895/step, 0.267776 hours remaining, 236.097656 MB of memory in use. ENERGY: 4695800 4073.0036 20391.5121 14555.1224 257.3253 -204122.6697 3222.1972 0.0000 0.0000 52113.7235 -109509.7856 299.4983 -161623.5091 -109153.4872 299.4936 1.3025 35.5813 761210.2897 8.5356 8.6143 PRESSURE: 4696000 -41.6047 29.7506 -19.0319 29.7511 108.875 4.17898 -19.0318 4.17926 -89.0643 GPRESSURE: 4696000 -39.7322 -28.3737 68.535 16.5758 179.182 93.1389 -70.4971 11.5178 -81.612 PRESSAVG: 4696000 -57.3162 -17.1929 19.3433 -17.1929 42.5239 6.97845 19.3433 6.97844 1.25379 GPRESSAVG: 4696000 -55.8805 -16.1858 20.5339 -18.8834 41.7104 9.34023 20.7195 6.46512 0.280706 TIMING: 4696000 CPU: 14849, 0.00316438/step Wall: 14849, 0.00316438/step, 0.267214 hours remaining, 236.097656 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: 4696000 4001.6792 20678.6264 14540.0458 249.7070 -203583.6002 2540.3194 0.0000 0.0000 52446.3399 -109126.8825 301.4098 -161573.2224 -108766.8117 300.0130 -7.2647 19.2792 761203.6831 -4.5128 -4.6298 PRESSURE: 4696200 169.339 219.431 -9.55574 219.432 -317.882 122.263 -9.55607 122.264 61.2507 GPRESSURE: 4696200 197.372 38.4924 75.7333 227.302 -261.403 95.6722 -86.702 144.207 49.4936 PRESSAVG: 4696200 9.725 -4.14606 15.816 -4.14609 24.8109 16.6314 15.8159 16.6314 -6.81556 GPRESSAVG: 4696200 9.25505 -4.19452 16.1816 -3.3866 24.3868 15.4095 12.9319 14.3311 -6.61073 TIMING: 4696200 CPU: 14849.7, 0.00317895/step Wall: 14849.7, 0.00317895/step, 0.268268 hours remaining, 236.097656 MB of memory in use. ENERGY: 4696200 4068.2363 20549.3534 14454.9871 262.6142 -203299.0000 2623.2737 0.0000 0.0000 51980.2274 -109360.3081 298.7311 -161340.5354 -108997.1907 299.8335 -29.0972 -4.8457 760362.0153 9.2401 9.0104 LDB: ============= START OF LOAD BALANCING ============== 14862.2 LDB: ============== END OF LOAD BALANCING =============== 14862.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14862.2 LDB: ============= START OF LOAD BALANCING ============== 14862.5 LDB: Largest compute 7060 load 0.034531 is 17.7% of average load 0.195620 LDB: Average compute 0.004390 is 2.2% of average load 0.195620 LDB: TIME 14862.5 LOAD: AVG 0.19562 MAX 0.216731 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.164 MB LDB: TIME 14862.5 LOAD: AVG 0.19562 MAX 0.216731 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.203 MB LDB: TIME 14862.5 LOAD: AVG 0.19562 MAX 0.216731 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.203 MB LDB: ============== END OF LOAD BALANCING =============== 14862.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14862.5 PRESSURE: 4696400 -106.275 307.112 -26.6942 307.112 284.881 209.612 -26.6952 209.612 -153.324 GPRESSURE: 4696400 -7.90882 290.243 -61.8001 112.722 230.23 147.823 -4.49767 65.935 -94.2811 PRESSAVG: 4696400 33.2598 38.0223 22.7361 38.0223 -45.9171 74.3661 22.7361 74.366 18.2061 GPRESSAVG: 4696400 32.704 38.9825 20.4535 36.9414 -45.5147 73.1968 24.4262 75.6527 17.7992 TIMING: 4696400 CPU: 14850.3, 0.00324952/step Wall: 14850.3, 0.00324952/step, 0.274043 hours remaining, 237.195312 MB of memory in use. ENERGY: 4696400 3998.6000 20373.3528 14473.9467 246.1354 -203370.3308 2417.5078 0.0000 0.0000 52226.8652 -109633.9230 300.1485 -161860.7881 -109273.2336 299.3853 8.4271 42.6799 759202.4684 1.8496 1.6628 PRESSURE: 4696600 -143.141 -285.708 -29.8471 -285.708 -462.042 203.447 -29.8475 203.447 -471.9 GPRESSURE: 4696600 -151.158 -291.161 -31.7386 -197.87 -353.738 169.044 -165.694 89.869 -477.819 PRESSAVG: 4696600 -5.26737 -22.1766 3.5591 -22.1766 -3.6748 22.8134 3.55911 22.8134 -24.0801 GPRESSAVG: 4696600 -5.13525 -23.5127 3.46512 -20.0429 -4.12932 23.4411 3.49085 21.8704 -23.5772 TIMING: 4696600 CPU: 14851, 0.00318978/step Wall: 14851, 0.00318978/step, 0.268828 hours remaining, 237.453125 MB of memory in use. ENERGY: 4696600 4056.1126 20441.6743 14502.2715 233.0052 -203392.5676 2394.5261 0.0000 0.0000 52157.6572 -109607.3208 299.7508 -161764.9779 -109242.0696 299.3344 -359.0278 -327.5718 761391.0033 -11.0074 -10.9472 PRESSURE: 4696800 -26.549 -31.2668 -354.24 -31.2662 223.931 6.65737 -354.24 6.65719 -499.374 GPRESSURE: 4696800 -66.5731 -30.1677 -396.384 64.7599 285.347 94.7027 -372.984 -16.3673 -429.533 PRESSAVG: 4696800 -16.3855 -53.7194 -49.1848 -53.7193 16.7603 -6.32572 -49.1847 -6.32576 8.29284 GPRESSAVG: 4696800 -17.0367 -54.2449 -47.4822 -55.2789 16.9693 -7.50241 -48.0872 -4.55709 8.81334 TIMING: 4696800 CPU: 14851.6, 0.00317491/step Wall: 14851.6, 0.00317491/step, 0.267398 hours remaining, 237.453125 MB of memory in use. ENERGY: 4696800 4031.7838 20504.6953 14426.1656 251.3214 -203329.7735 2497.0047 0.0000 0.0000 52081.6472 -109537.1555 299.3139 -161618.8027 -109189.7921 298.8459 -100.6641 -70.2529 760321.3705 2.8892 2.9153 PRESSURE: 4697000 250.734 154.508 84.1562 154.509 -174.399 -65.2122 84.1564 -65.2119 209.915 GPRESSURE: 4697000 318.741 167.557 145.052 124.374 -191.109 -9.54183 117.566 -114.698 244.965 PRESSAVG: 4697000 -65.5927 -23.146 23.9241 -23.1461 40.0585 -38.2118 23.9241 -38.2117 4.58437 GPRESSAVG: 4697000 -64.3965 -22.716 22.7679 -20.7038 38.7484 -37.1807 22.5399 -37.7652 4.19832 TIMING: 4697000 CPU: 14852.2, 0.00316286/step Wall: 14852.2, 0.00316286/step, 0.266208 hours remaining, 237.453125 MB of memory in use. ENERGY: 4697000 4011.7058 20640.8111 14454.6295 259.0059 -203464.1570 2725.1064 0.0000 0.0000 51976.2064 -109396.6919 298.7080 -161372.8983 -109030.9406 298.8495 95.4167 124.1991 760608.5505 -6.9833 -7.1500 PRESSURE: 4697200 -63.1659 -30.2335 -56.9992 -30.2337 26.9997 -104.226 -56.9988 -104.226 -338.043 GPRESSURE: 4697200 -41.9448 -41.2524 -111.081 76.4617 99.5863 -45.0153 14.0305 -350.351 -366.573 PRESSAVG: 4697200 -7.22652 -59.2534 -4.34927 -59.2534 45.2547 -23.0289 -4.34932 -23.029 2.09733 GPRESSAVG: 4697200 -7.98561 -59.2104 -5.22168 -59.3046 45.786 -22.0781 -3.95552 -23.8643 1.77292 TIMING: 4697200 CPU: 14852.9, 0.00318439/step Wall: 14852.9, 0.00318439/step, 0.267843 hours remaining, 237.453125 MB of memory in use. ENERGY: 4697200 3992.4615 20457.4442 14550.5797 248.5999 -203853.4000 3110.7884 0.0000 0.0000 52185.9022 -109307.6242 299.9131 -161493.5264 -108938.2926 299.8238 -124.7363 -102.9771 760779.1995 13.3752 13.1911 PRESSURE: 4697400 -354.896 -25.4914 186.94 -25.491 -197.42 -27.6278 186.941 -27.6284 -122.911 GPRESSURE: 4697400 -287.423 2.96992 127.607 -43.444 -225.118 -146.682 151.145 -7.16269 -79.1838 PRESSAVG: 4697400 -27.7883 -21.7358 -43.953 -21.7357 -2.46661 32.2732 -43.953 32.2732 12.3373 GPRESSAVG: 4697400 -28.0668 -19.3408 -44.261 -22.9676 -1.91439 32.0738 -43.9677 31.9447 11.7088 TIMING: 4697400 CPU: 14853.5, 0.00318326/step Wall: 14853.5, 0.00318326/step, 0.267571 hours remaining, 237.453125 MB of memory in use. ENERGY: 4697400 4013.5843 20557.8702 14526.0416 262.5790 -203591.5913 2862.8788 0.0000 0.0000 52100.4637 -109268.1736 299.4221 -161368.6373 -108911.3277 299.7087 -225.0757 -197.2416 760863.9839 -5.9725 -6.0908 PRESSURE: 4697600 -129.086 99.7359 -90.9991 99.7368 -87.6386 -192.675 -90.9986 -192.674 -212.59 GPRESSURE: 4697600 -107.025 11.2864 22.7008 163.74 -38.9954 -188.414 0.582463 -234.107 -202.147 PRESSAVG: 4697600 -18.6823 26.1136 -44.1674 26.1135 35.117 -6.82935 -44.1674 -6.82935 14.2444 GPRESSAVG: 4697600 -17.7605 23.4773 -41.9875 27.768 35.0922 -7.00052 -41.8978 -6.83136 13.9813 TIMING: 4697600 CPU: 14854.1, 0.00317118/step Wall: 14854.1, 0.00317118/step, 0.266379 hours remaining, 237.453125 MB of memory in use. ENERGY: 4697600 4042.6574 20702.5849 14483.3681 232.2211 -203781.5034 2946.8048 0.0000 0.0000 51948.6593 -109425.2078 298.5497 -161373.8671 -109079.2413 299.5572 -143.1049 -116.0559 763001.7744 10.2264 10.4376 PRESSURE: 4697800 31.9961 -91.5183 -29.0342 -91.518 -23.7963 246.202 -29.0347 246.201 -102.593 GPRESSURE: 4697800 -28.9373 -138.817 -18.9087 -141.599 138.438 241.09 63.4482 168.681 -110.199 PRESSAVG: 4697800 -38.1615 -52.8206 -20.9756 -52.8206 21.2786 13.8303 -20.9756 13.8304 -5.23596 GPRESSAVG: 4697800 -38.8768 -51.591 -21.1965 -53.8766 21.5372 14.1726 -22.9795 12.9424 -4.63037 TIMING: 4697800 CPU: 14854.8, 0.00315418/step Wall: 14854.8, 0.00315418/step, 0.264776 hours remaining, 237.453125 MB of memory in use. ENERGY: 4697800 3905.2317 20655.1071 14507.0450 245.3207 -203560.0396 2591.9049 0.0000 0.0000 52003.1814 -109652.2488 298.8630 -161655.4303 -109288.2514 298.2235 -31.4644 -0.2326 761059.6014 -7.3730 -7.3233 PRESSURE: 4698000 -298.651 245.097 -82.5214 245.096 -106.962 -38.7097 -82.5214 -38.7105 -243.893 GPRESSURE: 4698000 -175.983 180.642 -56.212 284.112 -180.178 -89.2122 -78.4593 -30.5709 -212.882 PRESSAVG: 4698000 36.7216 -2.73875 25.1502 -2.73876 -20.7327 9.977 25.1501 9.97699 3.83649 GPRESSAVG: 4698000 37.0062 -2.06006 25.2601 -3.4727 -20.9843 9.37329 25.3217 10.0176 3.91855 TIMING: 4698000 CPU: 14855.4, 0.00316079/step Wall: 14855.4, 0.00316079/step, 0.265155 hours remaining, 237.453125 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: 4698000 4073.4740 20406.3211 14477.5343 242.1598 -203268.2657 2342.4618 0.0000 0.0000 52186.9299 -109539.3848 299.9190 -161726.3147 -109184.1918 298.9998 -216.5020 -189.6810 759032.0298 6.6085 6.6468 PRESSURE: 4698200 -162.654 -200.11 0.87325 -200.11 -432.796 152.599 0.874666 152.601 156.499 GPRESSURE: 4698200 -171.195 -157.48 -7.41074 -182.707 -356.393 132.082 66.8279 281.187 183.902 PRESSAVG: 4698200 19.7579 -18.8444 22.495 -18.8444 -15.4543 18.9747 22.495 18.9747 9.08394 GPRESSAVG: 4698200 20.2527 -20.195 22.3077 -19.1364 -16.0664 18.5439 22.1523 22.0884 9.36452 TIMING: 4698200 CPU: 14856, 0.00313326/step Wall: 14856, 0.00313326/step, 0.262672 hours remaining, 237.453125 MB of memory in use. ENERGY: 4698200 4081.5275 20550.7116 14529.1039 240.5612 -203274.4958 2438.0471 0.0000 0.0000 51934.6684 -109499.8760 298.4693 -161434.5445 -109128.8088 299.3562 -146.3172 -114.5620 759545.6702 4.4625 4.5169 PRESSURE: 4698400 -95.5188 -78.4123 37.7474 -78.4131 44.5569 55.2001 37.7476 55.1994 111.113 GPRESSURE: 4698400 -100.695 21.9042 23.5935 -46.8534 88.1868 -1.10329 -10.1435 4.77652 191.211 PRESSAVG: 4698400 41.1113 -37.9488 15.278 -37.9489 -59.1238 32.412 15.2779 32.412 20.7458 GPRESSAVG: 4698400 40.5026 -36.4636 15.2792 -37.1622 -58.9127 33.1572 13.7478 29.5811 21.1233 TIMING: 4698400 CPU: 14856.7, 0.00313581/step Wall: 14856.7, 0.00313581/step, 0.262711 hours remaining, 237.453125 MB of memory in use. ENERGY: 4698400 3989.5489 20618.0343 14486.8398 247.4934 -203215.1663 2364.4871 0.0000 0.0000 52219.5118 -109289.2510 300.1063 -161508.7628 -108926.5971 299.6625 20.0505 59.5674 760555.1020 0.9111 0.9044 PRESSURE: 4698600 -335.796 48.7655 111.969 48.766 -249.372 -8.28921 111.969 -8.28927 15.1215 GPRESSURE: 4698600 -240.912 123.06 183.206 -43.4833 -217.779 -22.825 76.2281 -22.853 -12.7936 PRESSAVG: 4698600 29.0201 -14.6997 -39.1563 -14.6997 0.052072 -22.0359 -39.1564 -22.0359 5.49867 GPRESSAVG: 4698600 29.4594 -15.14 -39.4348 -13.4724 0.578756 -23.4666 -37.5272 -21.5235 4.30644 TIMING: 4698600 CPU: 14857.3, 0.00314818/step Wall: 14857.3, 0.00314818/step, 0.263572 hours remaining, 237.453125 MB of memory in use. ENERGY: 4698600 4033.8147 20607.9826 14467.8725 248.9135 -203380.3022 2491.8004 0.0000 0.0000 52104.6993 -109425.2192 299.4464 -161529.9185 -109062.0113 299.7813 -190.0157 -157.1615 759266.6569 11.5236 11.4482 PRESSURE: 4698800 356.739 11.3082 -4.89376 11.3078 -196.453 161.73 -4.8935 161.73 439.35 GPRESSURE: 4698800 414.931 -62.7769 -13.3679 -22.5407 -151.367 208.722 -24.0518 119.974 442.586 PRESSAVG: 4698800 17.5531 -12.0708 -24.6319 -12.0709 -46.4431 -41.7911 -24.632 -41.791 10.1384 GPRESSAVG: 4698800 16.9529 -14.1489 -23.4357 -14.0139 -46.3317 -41.534 -24.7896 -40.402 10.7523 TIMING: 4698800 CPU: 14857.9, 0.00315255/step Wall: 14857.9, 0.00315255/step, 0.263763 hours remaining, 237.453125 MB of memory in use. ENERGY: 4698800 3958.2088 20664.0910 14521.2846 259.2781 -203592.7402 2837.0953 0.0000 0.0000 52225.5117 -109127.2707 300.1407 -161352.7825 -108762.5467 300.1165 199.8785 235.3833 760519.2076 -6.2506 -6.2088 PRESSURE: 4699000 -171.542 133.66 218.372 133.66 468.481 142.775 218.372 142.775 -297.093 GPRESSURE: 4699000 -82.797 225.729 174.888 138.095 349.738 175.467 135.634 46.533 -185.356 PRESSAVG: 4699000 61.4955 -25.6954 1.20694 -25.6954 -39.8139 -27.8947 1.207 -27.8947 1.44432 GPRESSAVG: 4699000 61.9207 -25.6076 0.136591 -26.0959 -39.9876 -27.1731 0.647111 -30.7998 0.842427 TIMING: 4699000 CPU: 14858.5, 0.00314505/step Wall: 14858.5, 0.00314505/step, 0.262961 hours remaining, 237.453125 MB of memory in use. ENERGY: 4699000 3950.9679 20874.3430 14533.1980 245.0821 -203821.7603 2928.0197 0.0000 0.0000 52260.7382 -109029.4114 300.3432 -161290.1496 -108678.3828 300.6428 -0.0513 27.1952 762080.3525 7.7086 7.5918 PRESSURE: 4699200 11.216 114.117 -103.369 114.116 33.6559 -72.4021 -103.369 -72.4024 -29.5042 GPRESSURE: 4699200 3.5728 97.3886 -48.0566 69.0758 44.21 -45.7411 -113.569 21.1487 30.7245 PRESSAVG: 4699200 17.4693 -27.5335 -23.1298 -27.5335 -11.605 0.352896 -23.1298 0.352932 23.3716 GPRESSAVG: 4699200 18.4547 -26.6646 -22.8719 -25.5261 -11.5946 0.732028 -23.021 2.39072 22.1538 TIMING: 4699200 CPU: 14859.2, 0.00314365/step Wall: 14859.2, 0.00314365/step, 0.262669 hours remaining, 237.453125 MB of memory in use. ENERGY: 4699200 3988.5642 20715.8922 14569.0141 233.1204 -203381.7131 2936.4862 0.0000 0.0000 52070.3356 -108868.3005 299.2489 -160938.6361 -108517.3336 300.0309 5.1226 26.1691 762652.4600 9.7453 9.6713 PRESSURE: 4699400 -145.351 138.789 -210.351 138.79 187.581 28.2492 -210.351 28.2501 236.149 GPRESSURE: 4699400 -27.727 46.126 -232.048 143.577 237.947 69.4915 -187.945 86.6382 163.426 PRESSAVG: 4699400 -37.0114 6.89444 38.6494 6.89446 0.339473 -20.3269 38.6495 -20.3269 -0.924159 GPRESSAVG: 4699400 -37.0522 6.81414 38.2429 5.95958 0.667109 -20.5031 40.2281 -21.3286 -0.886977 TIMING: 4699400 CPU: 14859.8, 0.00313776/step Wall: 14859.8, 0.00313776/step, 0.262003 hours remaining, 237.453125 MB of memory in use. ENERGY: 4699400 4048.8962 20740.2348 14552.9449 231.3980 -203479.7307 2714.7388 0.0000 0.0000 52480.5116 -108711.0063 301.6062 -161191.5179 -108344.2316 300.2402 92.7932 124.5488 761632.0256 -12.5320 -12.4240 PRESSURE: 4699600 435.4 -45.0678 114.468 -45.0681 14.3146 -42.2757 114.468 -42.2751 35.954 GPRESSURE: 4699600 332.049 34.5552 52.4456 -1.79387 137.723 -45.5613 -125.559 128.884 111.745 PRESSAVG: 4699600 34.0098 -9.67479 28.6978 -9.67483 34.4595 24.4884 28.6978 24.4885 -12.8502 GPRESSAVG: 4699600 33.2728 -8.80112 27.9579 -10.347 33.824 24.5052 27.5882 23.7333 -11.2959 TIMING: 4699600 CPU: 14860.4, 0.00315566/step Wall: 14860.4, 0.00315566/step, 0.263322 hours remaining, 237.453125 MB of memory in use. ENERGY: 4699600 3920.6355 20531.2970 14512.3024 247.6940 -203090.7906 2713.6295 0.0000 0.0000 52377.2408 -108787.9914 301.0127 -161165.2322 -108428.0470 300.7488 161.8896 193.8393 764168.5139 18.5397 18.6003 PRESSURE: 4699800 29.0827 28.8987 308.255 28.8983 234.94 109.252 308.256 109.252 8.39539 GPRESSURE: 4699800 70.3775 51.4627 285.091 58.9723 303.061 30.2589 148.995 18.4722 -13.2826 PRESSAVG: 4699800 12.2014 7.46778 21.3116 7.46782 8.30439 6.2443 21.3117 6.24434 2.46298 GPRESSAVG: 4699800 11.9674 5.77779 22.1287 8.92351 9.20219 5.96263 19.7666 10.2855 1.24498 TIMING: 4699800 CPU: 14861.1, 0.00315509/step Wall: 14861.1, 0.00315509/step, 0.263099 hours remaining, 237.453125 MB of memory in use. ENERGY: 4699800 3869.3059 20515.8810 14536.9189 252.8418 -203257.6028 2975.8087 0.0000 0.0000 52095.2328 -109011.6137 299.3920 -161106.8464 -108642.3973 300.1134 90.8061 120.0521 764460.6457 7.6563 7.4715 PRESSURE: 4700000 107.746 7.47177 25.7296 7.47191 290.567 143.736 25.7298 143.737 -276.203 GPRESSURE: 4700000 260.919 60.4031 26.9096 60.0599 196.205 107.15 -18.7513 141.271 -230.763 PRESSAVG: 4700000 27.3246 20.4181 -3.34999 20.4181 -4.44881 30.715 -3.35002 30.7151 -20.0659 GPRESSAVG: 4700000 28.8024 23.2326 -4.48435 18.9642 -6.57544 31.6569 -2.4554 26.7806 -19.3323 TIMING: 4700000 CPU: 14861.7, 0.00314471/step Wall: 14861.7, 0.00314471/step, 0.262059 hours remaining, 237.453125 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: 4700000 4007.7954 20602.8532 14532.1585 229.2243 -203359.4523 2905.7640 0.0000 0.0000 52151.5647 -108930.0921 299.7158 -161081.6568 -108558.7721 299.5399 40.7033 75.4538 763763.8984 0.9366 0.9649 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4700200 -189.513 -267.455 160.394 -267.454 -289.144 45.5496 160.394 45.5499 -226.934 GPRESSURE: 4700200 -164.977 -184.653 163.962 -193.934 -213.58 41.6258 79.9938 41.1091 -253.31 PRESSAVG: 4700200 15.5007 33.0622 84.4529 33.0622 -26.3053 45.7417 84.4529 45.7417 20.9564 GPRESSAVG: 4700200 14.4771 32.1981 85.9174 33.882 -25.6756 46.1336 84.7973 46.5612 21.3963 TIMING: 4700200 CPU: 14862.3, 0.00326992/step Wall: 14862.3, 0.00326992/step, 0.272312 hours remaining, 237.453125 MB of memory in use. ENERGY: 4700200 3953.3878 20576.4456 14507.0770 242.4327 -202960.9476 2334.7844 0.0000 0.0000 52330.6232 -109016.1969 300.7448 -161346.8201 -108633.8808 300.6045 -235.1970 -210.6223 764639.9881 3.3839 3.3993 LDB: ============= START OF LOAD BALANCING ============== 14874.9 LDB: ============== END OF LOAD BALANCING =============== 14874.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14874.9 LDB: ============= START OF LOAD BALANCING ============== 14875.2 LDB: Largest compute 7078 load 0.032937 is 16.8% of average load 0.195601 LDB: Average compute 0.004371 is 2.2% of average load 0.195601 LDB: TIME 14875.2 LOAD: AVG 0.195601 MAX 0.215592 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.301 MB LDB: TIME 14875.2 LOAD: AVG 0.195601 MAX 0.215592 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.34 MB LDB: TIME 14875.2 LOAD: AVG 0.195601 MAX 0.215592 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.34 MB LDB: ============== END OF LOAD BALANCING =============== 14875.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14875.2 PRESSURE: 4700400 91.6999 143.415 84.0517 143.413 -230.569 1.14826 84.0512 1.14861 67.5583 GPRESSURE: 4700400 27.4588 177.161 164.37 123.018 -197.219 16.8797 -144.778 75.608 186.333 PRESSAVG: 4700400 14.506 8.80788 -11.4485 8.80796 10.3074 33.4272 -11.4485 33.4272 -10.4436 GPRESSAVG: 4700400 13.3297 6.03441 -12.7444 9.18348 11.9577 33.3739 -11.1028 31.6222 -10.6342 TIMING: 4700400 CPU: 14863, 0.00324387/step Wall: 14863, 0.00324387/step, 0.269962 hours remaining, 235.140625 MB of memory in use. ENERGY: 4700400 4082.7066 20650.2912 14522.8316 234.4181 -203499.8612 2905.6133 0.0000 0.0000 51999.0613 -109104.9391 298.8393 -161104.0004 -108743.7701 299.9850 -23.7702 5.5243 762680.1207 4.7899 4.8844 PRESSURE: 4700600 -80.786 71.9661 -269.928 71.966 -326.798 259.043 -269.928 259.044 -24.8859 GPRESSURE: 4700600 -11.1545 22.1039 -333.044 -16.5068 -270.115 266.874 -81.0209 429.077 -76.6747 PRESSAVG: 4700600 21.1529 4.82901 -10.5937 4.82901 -38.9281 7.7812 -10.5937 7.78114 -1.45784 GPRESSAVG: 4700600 23.7953 7.04896 -10.5327 3.98651 -41.4651 7.53791 -11.2357 8.79645 -1.63942 TIMING: 4700600 CPU: 14863.6, 0.00316321/step Wall: 14863.6, 0.00316321/step, 0.263074 hours remaining, 235.140625 MB of memory in use. ENERGY: 4700600 4038.1235 20307.9712 14530.7653 238.3881 -203576.3130 2744.1148 0.0000 0.0000 52138.7866 -109578.1634 299.6423 -161716.9500 -109205.0245 299.6813 -144.1565 -119.3147 763791.6035 -6.4110 -6.4364 PRESSURE: 4700800 -63.486 -44.0013 -24.645 -44.0011 151.011 -10.5036 -24.6451 -10.5033 -372.509 GPRESSURE: 4700800 -132.544 1.21633 35.748 -80.0589 231.858 -12.0543 -17.6226 62.4714 -294.992 PRESSAVG: 4700800 22.8082 -11.3936 -40.2571 -11.3936 -8.83975 -17.1476 -40.2571 -17.1476 -0.458248 GPRESSAVG: 4700800 20.7737 -11.1319 -39.9087 -10.2329 -7.77698 -18.6125 -39.5081 -15.0866 0.679924 TIMING: 4700800 CPU: 14864.3, 0.00314742/step Wall: 14864.3, 0.00314742/step, 0.261586 hours remaining, 235.140625 MB of memory in use. ENERGY: 4700800 3965.7009 20699.1205 14458.6510 251.4798 -203704.1189 2472.7619 0.0000 0.0000 52198.2742 -109658.1306 299.9842 -161856.4049 -109290.0489 299.0858 -94.9950 -65.2259 762619.1900 4.5034 4.5589 PRESSURE: 4701000 -58.7697 41.5683 -71.5564 41.5683 159.788 121.31 -71.5571 121.31 -114.11 GPRESSURE: 4701000 0.806021 111.002 -78.5264 -39.8251 233.09 97.7219 -28.4369 39.7913 -134.346 PRESSAVG: 4701000 4.44882 -45.8911 25.8063 -45.8911 -23.5382 33.9732 25.8063 33.9732 7.26759 GPRESSAVG: 4701000 5.04222 -47.1955 27.0543 -47.588 -22.4285 32.5668 23.3424 33.3934 5.82697 TIMING: 4701000 CPU: 14864.9, 0.00314996/step Wall: 14864.9, 0.00314996/step, 0.261622 hours remaining, 235.140625 MB of memory in use. ENERGY: 4701000 3976.4299 20528.5797 14498.4607 254.2600 -203609.3342 2733.6315 0.0000 0.0000 52101.8123 -109516.1601 299.4298 -161617.9724 -109151.4032 299.5403 -4.3639 33.1832 761940.6923 -3.9406 -3.8531 PRESSURE: 4701200 57.1189 -13.6699 -110.574 -13.6701 -61.6797 10.8722 -110.574 10.8713 -495.587 GPRESSURE: 4701200 -74.8168 -5.59915 -67.3213 56.8694 21.8153 12.4197 -160.148 11.9041 -379.773 PRESSAVG: 4701200 -53.6469 -71.754 4.2439 -71.754 -3.35162 -16.8619 4.24387 -16.8619 -21.0488 GPRESSAVG: 4701200 -53.7259 -69.2615 3.75435 -70.8616 -3.29118 -14.376 6.37384 -20.2938 -20.9148 TIMING: 4701200 CPU: 14865.5, 0.00317648/step Wall: 14865.5, 0.00317648/step, 0.263647 hours remaining, 235.140625 MB of memory in use. ENERGY: 4701200 3984.5885 20578.5432 14529.1595 250.7802 -203521.5217 2573.0525 0.0000 0.0000 52245.4141 -109359.9839 300.2551 -161605.3979 -109001.3556 299.8797 -166.7159 -144.2582 762783.5684 -26.0158 -25.9773 PRESSURE: 4701400 121.039 -124.943 -97.8799 -124.943 -89.3759 298.139 -97.8804 298.14 28.1715 GPRESSURE: 4701400 86.3102 -120.783 -108.776 -83.3885 -35.1003 255.914 -75.1824 369.054 71.1214 PRESSAVG: 4701400 16.7143 -17.8448 9.03547 -17.8449 0.170266 23.8474 9.03545 23.8474 12.5298 GPRESSAVG: 4701400 16.9074 -19.7716 7.65165 -17.0331 0.294613 23.6791 7.8589 25.2661 12.2125 TIMING: 4701400 CPU: 14866.2, 0.00317484/step Wall: 14866.2, 0.00317484/step, 0.263335 hours remaining, 235.140625 MB of memory in use. ENERGY: 4701400 4071.1176 20698.0451 14498.6493 249.2134 -203678.2499 2644.7405 0.0000 0.0000 52143.0930 -109373.3911 299.6671 -161516.4841 -109002.1647 299.6705 19.9448 40.7771 761778.6412 9.8048 9.8048 PRESSURE: 4701600 -79.0752 170.916 -51.3601 170.915 -154.189 21.1903 -51.3606 21.19 156.814 GPRESSURE: 4701600 -121.9 200.748 -51.6256 161.447 -102.844 -2.26075 28.2622 -23.2727 222.387 PRESSAVG: 4701600 63.4707 -15.4342 57.7653 -15.4342 -45.5131 -10.0037 57.7653 -10.0038 -7.63408 GPRESSAVG: 4701600 62.4051 -15.6867 58.3067 -16.5453 -46.0659 -11.7443 58.048 -7.86595 -5.9994 TIMING: 4701600 CPU: 14866.8, 0.00317666/step Wall: 14866.8, 0.00317666/step, 0.26331 hours remaining, 235.140625 MB of memory in use. ENERGY: 4701600 3913.1339 20718.6134 14502.1788 246.5518 -203618.6293 2550.0076 0.0000 0.0000 52156.2958 -109531.8481 299.7429 -161688.1439 -109161.8937 299.5076 -25.4833 -0.7854 763075.2045 3.4412 3.4466 PRESSURE: 4701800 22.8546 -4.51942 -204.366 -4.52016 177.063 142.035 -204.367 142.035 125.531 GPRESSURE: 4701800 80.6492 -83.1135 -190.947 -23.7816 226.054 172.169 -85.2773 24.9105 104.088 PRESSAVG: 4701800 27.1885 -13.1906 9.59882 -13.1906 22.8509 3.18361 9.59879 3.18365 18.4296 GPRESSAVG: 4701800 27.9286 -11.5815 8.97333 -12.9588 24.0444 4.55085 10.2887 1.71423 17.0785 TIMING: 4701800 CPU: 14867.4, 0.00317449/step Wall: 14867.4, 0.00317449/step, 0.262954 hours remaining, 235.140625 MB of memory in use. ENERGY: 4701800 4013.5872 20573.7901 14525.6039 218.8497 -203841.1674 2853.0080 0.0000 0.0000 52156.1179 -109500.2106 299.7419 -161656.3285 -109143.8931 299.3041 108.4828 136.9305 761398.9226 22.8230 23.0172 PRESSURE: 4702000 -156.57 -19.9118 78.7765 -19.9118 -244.194 -80.5784 78.7764 -80.5788 14.4232 GPRESSURE: 4702000 -45.2002 90.4872 1.97017 -109.51 -219.904 -112.664 26.4057 -78.7415 -37.4286 PRESSAVG: 4702000 -21.8765 -19.4007 31.8294 -19.4007 28.8383 24.7825 31.8294 24.7825 9.75863 GPRESSAVG: 4702000 -22.3318 -19.3744 32.315 -19.6851 29.1771 23.8305 30.2522 23.6302 9.76794 TIMING: 4702000 CPU: 14868.1, 0.00316808/step Wall: 14868.1, 0.00316808/step, 0.262247 hours remaining, 235.140625 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: 4702000 4060.0220 20637.9975 14512.9245 243.1694 -203686.3994 2868.9804 0.0000 0.0000 52053.4665 -109309.8391 299.1520 -161363.3056 -108956.8684 299.2542 -128.7801 -100.8442 761430.9335 5.5735 5.5378 PRESSURE: 4702200 -9.90681 164.615 40.3141 164.614 55.9243 -0.597331 40.3134 -0.597485 -273.307 GPRESSURE: 4702200 15.4377 110.005 15.5719 155.784 79.8886 -29.5833 5.1474 9.41466 -225.524 PRESSAVG: 4702200 -24.2684 3.31319 51.683 3.31314 36.7105 -3.75425 51.683 -3.75432 -21.7031 GPRESSAVG: 4702200 -24.1973 3.53559 51.1868 3.31361 35.2992 -2.63716 53.0618 -3.74222 -20.7602 TIMING: 4702200 CPU: 14868.7, 0.00316664/step Wall: 14868.7, 0.00316664/step, 0.261952 hours remaining, 235.140625 MB of memory in use. ENERGY: 4702200 4024.6860 20600.7411 14459.7656 244.9182 -203600.9790 2835.9845 0.0000 0.0000 51906.9950 -109527.8887 298.3102 -161434.8837 -109170.1796 299.2450 -75.7632 -43.3991 761378.1722 -3.0870 -3.2194 PRESSURE: 4702400 -192.996 -11.0202 -10.8995 -11.02 -74.9637 5.58205 -10.8999 5.58242 -260.198 GPRESSURE: 4702400 -123.826 16.5269 19.1702 -31.724 -0.684372 -72.6321 5.9865 -69.2373 -322.235 PRESSAVG: 4702400 20.4123 1.84703 -36.6479 1.84706 24.1526 -44.7807 -36.6479 -44.7806 8.71726 GPRESSAVG: 4702400 20.7065 0.360415 -38.9923 -0.313564 24.7992 -45.9329 -35.9638 -44.9055 7.77848 TIMING: 4702400 CPU: 14869.3, 0.00316378/step Wall: 14869.3, 0.00316378/step, 0.261539 hours remaining, 235.140625 MB of memory in use. ENERGY: 4702400 3999.9729 20428.0307 14522.1701 260.2914 -203693.9356 2624.7336 0.0000 0.0000 52133.9780 -109724.7590 299.6147 -161858.7369 -109364.9030 298.9088 -176.0524 -148.9151 761189.4599 17.7607 17.7614 PRESSURE: 4702600 129.998 -210.469 -116.384 -210.47 -13.9333 -6.3898 -116.385 -6.39067 61.4274 GPRESSURE: 4702600 213.334 -204.73 -125.227 -216.749 -3.36111 42.8955 -15.8825 -0.525474 53.2615 PRESSAVG: 4702600 -3.34552 15.5474 -1.40134 15.5474 0.967643 21.264 -1.40137 21.264 -3.0783 GPRESSAVG: 4702600 -3.61619 14.8914 1.856 18.7957 1.71045 21.648 -2.17513 22.0269 -3.38232 TIMING: 4702600 CPU: 14870, 0.00317952/step Wall: 14870, 0.00317952/step, 0.262664 hours remaining, 235.140625 MB of memory in use. ENERGY: 4702600 3870.6947 20529.8317 14507.0731 254.4899 -203388.9129 2489.8234 0.0000 0.0000 52079.5002 -109657.5000 299.3016 -161737.0001 -109288.0881 299.4127 59.1640 87.7447 762695.8589 -1.8187 -1.7627 PRESSURE: 4702800 91.7254 -400.911 -21.0424 -400.911 -221.869 40.3728 -21.0424 40.374 -313.045 GPRESSURE: 4702800 97.4419 -436.912 -103.717 -275.82 -201.832 111.047 87.8501 -54.5088 -246.85 PRESSAVG: 4702800 7.19932 -25.3663 -5.05935 -25.3662 -10.8378 -14.8268 -5.05933 -14.8268 10.7928 GPRESSAVG: 4702800 7.84844 -23.1613 -6.23234 -26.5093 -12.0222 -14.2104 -4.60517 -13.4488 11.3846 TIMING: 4702800 CPU: 14870.6, 0.00314929/step Wall: 14870.6, 0.00314929/step, 0.259992 hours remaining, 235.140625 MB of memory in use. ENERGY: 4702800 3996.4313 20388.8596 14513.1971 234.4776 -203075.2526 2468.4967 0.0000 0.0000 51827.7139 -109646.0765 297.8546 -161473.7904 -109286.7258 298.8653 -147.7295 -117.0800 762305.5684 2.3848 2.4036 PRESSURE: 4703000 -106.182 -134.668 -219.174 -134.667 -296.419 57.7092 -219.174 57.7091 305.34 GPRESSURE: 4703000 -139.356 -76.0309 -239.106 -93.6908 -185.532 31.9694 -185.283 -114.821 320.616 PRESSAVG: 4703000 -4.86889 -56.4953 -55.8729 -56.4953 -24.8347 28.8552 -55.8729 28.8551 -6.27785 GPRESSAVG: 4703000 -5.52107 -57.5903 -56.8242 -56.9004 -24.4236 27.7137 -56.0286 28.3845 -6.04578 TIMING: 4703000 CPU: 14871.2, 0.0031489/step Wall: 14871.2, 0.0031489/step, 0.259784 hours remaining, 235.140625 MB of memory in use. ENERGY: 4703000 4030.8674 20387.3113 14591.3899 249.9657 -203328.5416 2469.4196 0.0000 0.0000 51887.2263 -109712.3614 298.1966 -161599.5877 -109355.5570 298.2267 -32.4206 -1.4238 761644.7440 -11.9938 -11.9968 PRESSURE: 4703200 -188.851 -22.7869 154.849 -22.7864 -108.503 -55.0827 154.849 -55.0833 67.9536 GPRESSURE: 4703200 -147.663 -4.9775 116.785 -99.8807 -31.8493 -117.901 130.293 44.4299 45.6811 PRESSAVG: 4703200 4.35198 -27.8664 -15.5841 -27.8664 -12.3329 -2.3053 -15.584 -2.30538 -10.4901 GPRESSAVG: 4703200 3.70941 -28.5945 -14.3911 -27.6081 -12.4018 -3.30093 -16.4738 -2.13268 -10.4168 TIMING: 4703200 CPU: 14871.9, 0.00317206/step Wall: 14871.9, 0.00317206/step, 0.261518 hours remaining, 235.140625 MB of memory in use. ENERGY: 4703200 4022.6774 20332.4320 14508.9543 249.8708 -203469.8678 2724.6744 0.0000 0.0000 52024.1388 -109607.1201 298.9834 -161631.2589 -109239.7777 298.4206 -76.4669 -44.6104 760810.5434 -6.1570 -6.3697 PRESSURE: 4703400 115.264 131.431 88.0925 131.431 -49.4144 -39.672 88.0925 -39.6716 76.6774 GPRESSURE: 4703400 180.622 116.066 82.7549 111.495 -32.2472 -63.9138 -62.2299 -35.1247 78.8269 PRESSAVG: 4703400 32.2626 0.772464 20.5965 0.772425 -3.90265 -1.86691 20.5965 -1.86685 3.29639 GPRESSAVG: 4703400 32.6457 1.20298 20.6578 1.29466 -4.52064 1.65767 20.3249 -1.28118 3.88333 TIMING: 4703400 CPU: 14872.5, 0.00317329/step Wall: 14872.5, 0.0031733/step, 0.261444 hours remaining, 235.140625 MB of memory in use. ENERGY: 4703400 3926.8148 20439.2620 14416.1975 249.4729 -203288.9985 2568.7549 0.0000 0.0000 52178.2732 -109510.2232 299.8693 -161688.4964 -109150.5230 298.7036 47.5090 75.7339 762424.1474 10.5521 10.6695 PRESSURE: 4703600 -88.1503 -16.7525 -201.981 -16.752 329.028 -76.0023 -201.98 -76.0021 7.38602 GPRESSURE: 4703600 -32.386 -146.562 -153.328 -11.4797 300.46 -97.805 -199.365 -21.8654 80.7901 PRESSAVG: 4703600 -32.2182 8.38245 28.4313 8.38244 8.30174 64.4499 28.4313 64.4499 -22.3984 GPRESSAVG: 4703600 -31.2033 7.54938 28.0981 8.40491 8.61397 62.7475 29.9709 62.8498 -23.1896 TIMING: 4703600 CPU: 14873.1, 0.00317057/step Wall: 14873.1, 0.00317057/step, 0.261044 hours remaining, 235.140625 MB of memory in use. ENERGY: 4703600 4010.9733 20514.2113 14422.1870 256.2912 -203402.4906 2688.3760 0.0000 0.0000 52058.9301 -109451.5218 299.1834 -161510.4518 -109083.2342 298.8932 82.7545 116.2880 763181.1553 -15.4383 -15.2596 PRESSURE: 4703800 133.422 -50.8923 215.173 -50.8922 48.8233 -25.3022 215.174 -25.3033 85.117 GPRESSURE: 4703800 246.488 -121.933 309.453 -2.95146 90.7368 84.135 94.2109 -89.0297 6.32149 PRESSAVG: 4703800 9.15418 -13.2424 37.3637 -13.2424 33.3123 -0.59058 37.3638 -0.590653 -4.4721 GPRESSAVG: 4703800 9.26564 -12.0652 37.8537 -13.1257 32.9849 -0.940131 36.5312 0.395069 -3.97034 TIMING: 4703800 CPU: 14873.8, 0.00318557/step Wall: 14873.8, 0.00318557/step, 0.262102 hours remaining, 235.140625 MB of memory in use. ENERGY: 4703800 3893.9766 20449.6077 14468.6811 258.6343 -203190.2125 2683.7558 0.0000 0.0000 52051.4452 -109384.1117 299.1404 -161435.5569 -109022.1585 299.1055 89.1208 114.5155 762197.9137 12.6648 12.7601 PRESSURE: 4704000 95.9949 -44.5198 112.538 -44.52 -33.6968 23.2407 112.537 23.2418 141.847 GPRESSURE: 4704000 90.1184 20.4635 132.013 -81.4073 12.1481 144.338 148.01 -75.8749 191.369 PRESSAVG: 4704000 -4.11691 -41.744 23.8139 -41.744 13.161 -48.121 23.8139 -48.121 -5.7462 GPRESSAVG: 4704000 -3.64322 -42.4788 24.4571 -45.1802 12.5642 -45.3028 25.5436 -49.4898 -6.09448 TIMING: 4704000 CPU: 14874.4, 0.00319312/step Wall: 14874.4, 0.00319312/step, 0.262545 hours remaining, 235.140625 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: 4704000 3947.5490 20397.4592 14471.4329 246.6742 -203646.9545 3035.5164 0.0000 0.0000 52089.3399 -109458.9829 299.3582 -161548.3229 -109093.3264 299.2618 68.0484 97.8784 761297.6201 1.0993 0.9422 PRESSURE: 4704200 -363.539 -11.6302 117.135 -11.6299 -256.473 118.329 117.135 118.329 -297.814 GPRESSURE: 4704200 -288.867 32.6839 127.855 28.0125 -249.685 79.6063 109.791 199.752 -273.341 PRESSAVG: 4704200 31.5589 -14.9361 -23.8986 -14.9361 9.42801 27.4116 -23.8985 27.4116 10.8435 GPRESSAVG: 4704200 31.4847 -12.7533 -24.151 -12.1887 10.4436 26.078 -24.7509 28.89 10.2004 TIMING: 4704200 CPU: 14875, 0.00319499/step Wall: 14875, 0.00319499/step, 0.262521 hours remaining, 235.140625 MB of memory in use. ENERGY: 4704200 3872.5077 20617.4853 14466.7702 243.3841 -203021.3629 2508.2893 0.0000 0.0000 51889.2263 -109423.6999 298.2081 -161312.9263 -109056.7368 299.1096 -305.9417 -270.6310 763337.9606 17.2768 17.3762 LDB: ============= START OF LOAD BALANCING ============== 14887.6 LDB: ============== END OF LOAD BALANCING =============== 14887.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14887.6 LDB: ============= START OF LOAD BALANCING ============== 14887.9 LDB: Largest compute 7060 load 0.035102 is 17.9% of average load 0.195559 LDB: Average compute 0.004393 is 2.2% of average load 0.195559 LDB: TIME 14887.9 LOAD: AVG 0.195559 MAX 0.214327 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.531 MB LDB: TIME 14887.9 LOAD: AVG 0.195559 MAX 0.214327 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.535 MB LDB: TIME 14887.9 LOAD: AVG 0.195559 MAX 0.214327 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.535 MB LDB: ============== END OF LOAD BALANCING =============== 14887.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14887.9 PRESSURE: 4704400 -171.559 -33.1446 -72.6641 -33.1439 -317.413 247.793 -72.6639 247.791 -430.959 GPRESSURE: 4704400 -192.233 -63.8237 -84.3515 -105.356 -225.197 184.885 -19.4431 306.833 -400.644 PRESSAVG: 4704400 21.1381 15.3289 13.417 15.3288 39.7503 -6.54833 13.417 -6.54839 0.469041 GPRESSAVG: 4704400 20.809 14.8613 14.3607 13.9159 38.4938 -6.76499 10.9278 -7.13959 1.85611 TIMING: 4704400 CPU: 14875.7, 0.00323823/step Wall: 14875.7, 0.00323823/step, 0.265894 hours remaining, 235.710938 MB of memory in use. ENERGY: 4704400 3875.9176 20542.9774 14434.8017 235.6719 -202931.2292 2301.8869 0.0000 0.0000 51939.5646 -109600.4091 298.4974 -161539.9737 -109235.7375 298.8019 -306.6439 -272.6913 762622.7711 20.4525 20.3863 PRESSURE: 4704600 17.1532 -13.0903 -173.193 -13.0908 236.213 -173.472 -173.194 -173.473 58.0667 GPRESSURE: 4704600 65.763 -72.097 -180.95 -101.564 173.556 -164.365 -43.6337 -178.093 162.953 PRESSAVG: 4704600 38.9752 -42.293 -16.7198 -42.293 -35.4784 -8.89106 -16.7198 -8.89116 5.19208 GPRESSAVG: 4704600 39.4848 -43.0964 -17.8101 -44.0898 -35.0659 -8.88524 -15.3961 -8.09849 3.84367 TIMING: 4704600 CPU: 14876.3, 0.00316271/step Wall: 14876.3, 0.00316271/step, 0.259518 hours remaining, 236.023438 MB of memory in use. ENERGY: 4704600 3933.7494 20571.6272 14450.9740 247.8425 -202933.9729 2455.4071 0.0000 0.0000 51733.8046 -109540.5680 297.3149 -161274.3726 -109189.9532 298.3449 103.8110 134.0904 762035.7237 2.8963 2.7542 PRESSURE: 4704800 217.939 30.4267 89.2622 30.4262 -40.9381 190.847 89.2627 190.847 -244.707 GPRESSURE: 4704800 191.875 92.0948 171.721 174.835 -25.9249 201.84 129.163 224.201 -149.34 PRESSAVG: 4704800 9.32109 24.787 33.9673 24.787 14.5709 63.1893 33.9673 63.1893 -3.39725 GPRESSAVG: 4704800 8.11836 23.6719 34.9002 26.3963 14.78 63.1243 32.3882 61.8132 -2.62557 TIMING: 4704800 CPU: 14877, 0.00316642/step Wall: 14877, 0.00316642/step, 0.259647 hours remaining, 236.023438 MB of memory in use. ENERGY: 4704800 3943.9390 20426.4974 14560.7628 243.5193 -203590.9017 2773.0776 0.0000 0.0000 52118.5232 -109524.5826 299.5259 -161643.1058 -109165.1901 298.8324 -22.5687 5.5366 762563.6594 6.8316 6.7576 PRESSURE: 4705000 208.049 135.733 -287.336 135.733 165.896 -88.7012 -287.336 -88.7008 49.5252 GPRESSURE: 4705000 238.209 146.171 -298.727 119.584 140.284 -26.3848 -312.464 81.656 122.894 PRESSAVG: 4705000 21.0464 -41.3079 -18.6283 -41.3079 -27.3733 -2.44376 -18.6283 -2.44371 -8.43189 GPRESSAVG: 4705000 20.999 -39.8612 -18.3555 -40.219 -27.9402 -2.00689 -17.3441 -1.8744 -8.00495 TIMING: 4705000 CPU: 14877.6, 0.00316596/step Wall: 14877.6, 0.00316596/step, 0.259433 hours remaining, 236.023438 MB of memory in use. ENERGY: 4705000 3993.5096 20507.3199 14473.4709 250.9509 -203280.1808 2493.3207 0.0000 0.0000 51912.2011 -109649.4078 298.3401 -161561.6089 -109291.2412 298.7301 141.1568 167.1287 762043.5172 -4.9196 -4.9820 PRESSURE: 4705200 82.8612 5.08074 -73.2048 5.0807 -198.934 52.8911 -73.2052 52.8909 24.9532 GPRESSURE: 4705200 131.753 -44.5196 -147.675 49.6023 -126.624 81.8295 -42.9323 -20.2833 -4.02255 PRESSAVG: 4705200 11.4478 -8.44591 -46.1997 -8.44588 -42.1326 31.336 -46.1996 31.336 -7.24448 GPRESSAVG: 4705200 11.3263 -8.19812 -45.1274 -7.75813 -40.1199 31.6643 -48.0169 31.6352 -9.12427 TIMING: 4705200 CPU: 14878.2, 0.00315573/step Wall: 14878.2, 0.00315573/step, 0.258419 hours remaining, 236.023438 MB of memory in use. ENERGY: 4705200 3951.5289 20490.2507 14469.3751 241.2487 -203555.1513 2737.7829 0.0000 0.0000 51990.7006 -109674.2644 298.7913 -161664.9650 -109302.6936 299.0334 -30.3730 0.3687 762465.0928 -12.6431 -12.6393 PRESSURE: 4705400 -125.236 -48.1197 81.5775 -48.1191 230.488 96.4396 81.5776 96.4394 118.289 GPRESSURE: 4705400 -48.202 -28.8569 103.941 -21.362 273.702 102.385 121.485 158.998 71.5906 PRESSAVG: 4705400 28.0115 -48.9446 -4.42375 -48.9446 -37.7128 54.3939 -4.42376 54.3939 15.8188 GPRESSAVG: 4705400 27.4159 -49.0576 -3.93971 -51.1853 -37.7641 53.9347 -2.23779 53.89 16.2821 TIMING: 4705400 CPU: 14878.9, 0.0031752/step Wall: 14878.9, 0.0031752/step, 0.259837 hours remaining, 236.023438 MB of memory in use. ENERGY: 4705400 3995.9980 20628.3766 14491.4185 240.3237 -203935.0895 2785.1376 0.0000 0.0000 51986.3481 -109807.4869 298.7663 -161793.8350 -109457.2855 298.4689 74.5138 99.0303 762240.6128 2.0392 1.9780 PRESSURE: 4705600 40.1479 -124.893 -89.707 -124.893 -26.3531 255.795 -89.7074 255.795 -366.596 GPRESSURE: 4705600 32.904 -162.416 -21.9285 -63.7528 -1.13607 258.143 -112.208 293.717 -302.55 PRESSAVG: 4705600 24.8782 -31.21 -44.6939 -31.21 9.55231 47.8938 -44.6939 47.8938 6.91579 GPRESSAVG: 4705600 26.1839 -31.0094 -46.9965 -32.5669 8.94024 46.8241 -45.187 47.8451 6.4684 TIMING: 4705600 CPU: 14879.5, 0.00319916/step Wall: 14879.5, 0.00319916/step, 0.26162 hours remaining, 236.023438 MB of memory in use. ENERGY: 4705600 4002.3013 20351.0446 14570.2689 233.8633 -203893.2407 2911.2338 0.0000 0.0000 51855.9193 -109968.6095 298.0167 -161824.5288 -109598.0163 298.3120 -117.6003 -90.2609 760506.4074 13.7821 13.8642 PRESSURE: 4705800 161.666 -169.178 87.5094 -169.178 109.564 -209.804 87.5097 -209.803 183.137 GPRESSURE: 4705800 192.763 -173.755 52.8347 -81.2753 184.825 -132.086 121.788 -285.664 189.153 PRESSAVG: 4705800 65.4255 -45.048 -7.40054 -45.048 -88.842 -20.9027 -7.40047 -20.9026 -2.78199 GPRESSAVG: 4705800 64.0046 -45.533 -7.60939 -42.1811 -88.8658 -20.5009 -8.77577 -21.1364 -1.53586 TIMING: 4705800 CPU: 14880.1, 0.00320193/step Wall: 14880.1, 0.00320193/step, 0.261669 hours remaining, 236.023438 MB of memory in use. ENERGY: 4705800 3957.6212 20436.4379 14422.0660 243.8697 -203387.0509 2681.5626 0.0000 0.0000 51763.8278 -109881.6656 297.4874 -161645.4934 -109518.1639 297.9628 151.4558 188.9140 763517.6145 -8.7328 -8.7990 PRESSURE: 4706000 308.738 19.4041 -80.4823 19.4032 261.923 119.224 -80.4831 119.223 464.533 GPRESSURE: 4706000 342.969 1.21306 3.0364 151.469 306.005 110.937 -51.1487 188.199 480.448 PRESSAVG: 4706000 22.5614 -54.8136 16.6825 -54.8137 -45.6111 38.6695 16.6825 38.6696 -0.279537 GPRESSAVG: 4706000 23.2134 -56.8799 14.4177 -54.8224 -45.4415 39.789 18.7234 37.7315 -1.28555 TIMING: 4706000 CPU: 14880.8, 0.00320991/step Wall: 14880.8, 0.00320991/step, 0.262143 hours remaining, 236.023438 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: 4706000 3957.0886 20687.9154 14562.5259 243.0845 -204052.8615 2903.8064 0.0000 0.0000 52026.7633 -109671.6775 298.9985 -161698.4408 -109301.8344 298.2476 345.0645 376.4739 760143.5216 -7.7764 -7.8379 PRESSURE: 4706200 38.9294 -79.4933 -13.9423 -79.4936 46.3773 96.5854 -13.9418 96.5848 85.1888 GPRESSURE: 4706200 116.371 -142.489 -11.1763 70.8598 49.4284 104.182 -140.121 10.2077 75.5427 PRESSAVG: 4706200 -7.12993 -30.9737 -2.71393 -30.9737 -40.0533 7.95255 -2.71393 7.95255 -30.5856 GPRESSAVG: 4706200 -7.78504 -27.229 -1.15744 -33.8702 -40.1786 7.51691 -4.70404 9.94408 -29.9781 TIMING: 4706200 CPU: 14881.4, 0.00320265/step Wall: 14881.4, 0.00320265/step, 0.261371 hours remaining, 236.023438 MB of memory in use. ENERGY: 4706200 3912.9401 20600.2011 14453.9138 244.3017 -203431.2281 2645.8520 0.0000 0.0000 51979.6900 -109594.3295 298.7280 -161574.0194 -109226.9046 298.7884 56.8318 80.4474 761838.3632 -25.9229 -25.9806 PRESSURE: 4706400 168.026 -195.818 42.5925 -195.818 222.057 -89.0127 42.5933 -89.0122 128.67 GPRESSURE: 4706400 244.506 -98.8444 -14.1185 -132.878 201.166 -93.544 121.878 -139.501 167.284 PRESSAVG: 4706400 43.7954 -26.0857 19.2469 -26.0857 2.9739 -56.5217 19.2469 -56.5217 -6.08737 GPRESSAVG: 4706400 44.3034 -27.8917 19.629 -25.1441 3.98029 -55.6467 20.4252 -57.8158 -6.57722 TIMING: 4706400 CPU: 14882.1, 0.00321273/step Wall: 14882.1, 0.00321273/step, 0.262016 hours remaining, 236.023438 MB of memory in use. ENERGY: 4706400 4009.7559 20427.2557 14455.0943 262.2025 -203661.6438 2584.8249 0.0000 0.0000 52170.3986 -109752.1119 299.8240 -161922.5105 -109386.6448 298.8343 172.9177 204.3186 760111.4435 13.5606 13.9022 PRESSURE: 4706600 -181.604 89.4503 42.4464 89.4504 229.085 -37.094 42.4462 -37.0941 350.458 GPRESSURE: 4706600 -74.0092 -10.7909 203.935 62.6812 238.001 -20.8999 74.2655 15.3271 337.897 PRESSAVG: 4706600 -20.1451 -34.8097 52.0972 -34.8097 36.8983 -35.6522 52.0973 -35.6522 10.0708 GPRESSAVG: 4706600 -19.9102 -34.3916 52.5874 -34.4298 35.8005 -36.2001 52.2455 -35.3647 10.9588 TIMING: 4706600 CPU: 14882.7, 0.00316863/step Wall: 14882.7, 0.00316863/step, 0.258243 hours remaining, 236.023438 MB of memory in use. ENERGY: 4706600 3933.2287 20520.6214 14468.0167 226.7158 -203694.4819 2859.2855 0.0000 0.0000 51984.5878 -109702.0259 298.7561 -161686.6137 -109343.4115 298.6691 132.6463 167.2961 760234.3066 8.9413 8.9497 PRESSURE: 4706800 -243.144 -289.269 46.0773 -289.269 -166.551 14.7505 46.0766 14.7487 225.582 GPRESSURE: 4706800 -140.736 -254.35 -1.39596 -330.905 -58.1924 71.0156 26.1573 151.526 93.6728 PRESSAVG: 4706800 -58.2884 -18.4284 30.2707 -18.4284 13.8705 -16.3583 30.2708 -16.3584 -38.8147 GPRESSAVG: 4706800 -58.3464 -18.6003 29.2852 -16.9585 15.2797 -15.2424 31.6491 -15.7283 -39.859 TIMING: 4706800 CPU: 14883.3, 0.00317256/step Wall: 14883.3, 0.00317256/step, 0.258388 hours remaining, 236.023438 MB of memory in use. ENERGY: 4706800 3996.4578 20381.0612 14520.9272 237.4341 -203280.4436 2386.1188 0.0000 0.0000 52175.9116 -109582.5329 299.8557 -161758.4444 -109213.6483 299.0924 -61.3711 -35.0851 761110.6712 -27.7442 -27.6419 PRESSURE: 4707000 -165.568 -133.301 91.6661 -133.301 18.6845 86.8193 91.6665 86.8184 76.1294 GPRESSURE: 4707000 -181.152 -149.572 118.224 -168.875 85.6085 32.7063 -8.90225 -32.9405 139.607 PRESSAVG: 4707000 -11.0278 -29.5971 -5.64843 -29.597 13.3595 34.436 -5.64845 34.4359 -6.93018 GPRESSAVG: 4707000 -11.4147 -28.5594 -4.85276 -30.8622 11.4991 32.6634 -7.32368 31.8058 -4.49208 TIMING: 4707000 CPU: 14884, 0.00316775/step Wall: 14884, 0.00316775/step, 0.25782 hours remaining, 236.023438 MB of memory in use. ENERGY: 4707000 3930.2381 20398.2192 14484.4630 256.9643 -203012.2810 2342.0646 0.0000 0.0000 51831.6015 -109768.7303 297.8769 -161600.3318 -109400.2275 298.9482 -23.5848 14.6879 761923.0234 -1.5328 -1.4692 PRESSURE: 4707200 -135.757 -12.9705 92.3631 -12.97 -148.891 8.0865 92.363 8.08622 -169.85 GPRESSURE: 4707200 -65.7339 -3.84151 73.6646 -111.71 -106.52 70.5208 44.7067 8.64067 -180.797 PRESSAVG: 4707200 -29.1797 -30.9551 30.4345 -30.955 11.9315 14.6723 30.4346 14.6723 -1.45173 GPRESSAVG: 4707200 -26.3598 -33.1737 31.4119 -30.8101 11.8445 16.9824 27.1955 15.9477 -3.84117 TIMING: 4707200 CPU: 14884.6, 0.00316255/step Wall: 14884.6, 0.00316255/step, 0.257221 hours remaining, 236.023438 MB of memory in use. ENERGY: 4707200 4027.2029 20360.5292 14521.1763 253.7376 -203354.8192 2576.0804 0.0000 0.0000 51724.6997 -109891.3931 297.2626 -161616.0928 -109534.2435 298.0837 -151.4993 -117.6835 761854.9935 -6.2333 -6.1188 PRESSURE: 4707400 111.036 -72.5423 -220.014 -72.5426 -283.009 87.4051 -220.014 87.4052 201.139 GPRESSURE: 4707400 185.313 -63.6346 -234.455 -41.6324 -179.514 142.993 -22.1304 28.7523 121.61 PRESSAVG: 4707400 42.4606 -38.6383 -16.2406 -38.6383 -27.2977 54.0483 -16.2406 54.0482 0.702905 GPRESSAVG: 4707400 41.0776 -37.9673 -17.9062 -36.6459 -26.3628 53.4178 -11.4234 53.6256 1.52697 TIMING: 4707400 CPU: 14885.2, 0.00317515/step Wall: 14885.2, 0.00317515/step, 0.258069 hours remaining, 236.023438 MB of memory in use. ENERGY: 4707400 4012.4252 20363.4067 14486.5279 242.8613 -203545.1619 2586.2326 0.0000 0.0000 51937.1114 -109916.5968 298.4833 -161853.7082 -109545.8034 298.2592 9.7222 42.4698 761215.1651 5.2886 5.4139 PRESSURE: 4707600 -320.07 149.793 -19.1585 149.792 -699.658 72.9215 -19.1578 72.9219 -448.548 GPRESSURE: 4707600 -163.756 118.922 -28.6593 122.162 -693.292 -126.037 -3.8131 57.3345 -511.596 PRESSAVG: 4707600 -3.00539 25.806 60.9139 25.806 -8.70946 25.7539 60.9138 25.7539 4.46525 GPRESSAVG: 4707600 -3.15968 27.5554 62.5133 23.7905 -8.66237 24.249 58.0634 25.0499 4.64688 TIMING: 4707600 CPU: 14885.9, 0.00319094/step Wall: 14885.9, 0.00319094/step, 0.259175 hours remaining, 236.023438 MB of memory in use. ENERGY: 4707600 3993.1152 20588.8538 14455.5154 255.6288 -203117.9154 2267.8450 0.0000 0.0000 51783.3580 -109773.5992 297.5997 -161556.9571 -109419.5680 298.0703 -489.4254 -456.2148 762266.3520 -2.4165 -2.3917 PRESSURE: 4707800 -236.037 -74.8667 -35.0798 -74.866 -242.727 -106.155 -35.0792 -106.156 239.055 GPRESSURE: 4707800 -141.193 36.0534 16.8727 -34.1822 -238.862 30.7417 -127.199 -52.6103 237.303 PRESSAVG: 4707800 36.4435 15.0089 21.7397 15.0089 -23.992 18.3997 21.7397 18.3998 -4.57223 GPRESSAVG: 4707800 37.1275 14.4891 21.8147 14.1624 -24.1187 20.0114 22.9297 20.5681 -4.88023 TIMING: 4707800 CPU: 14886.5, 0.00318353/step Wall: 14886.5, 0.00318353/step, 0.258397 hours remaining, 236.023438 MB of memory in use. ENERGY: 4707800 4016.1655 20549.7894 14508.2205 245.5661 -203500.3708 2650.1776 0.0000 0.0000 51849.4518 -109680.9999 297.9795 -161530.4517 -109330.9117 298.8441 -79.9029 -47.5841 762675.7653 2.6264 2.7095 PRESSURE: 4708000 109.633 21.1404 267.357 21.1406 -132.784 74.0977 267.357 74.0969 3.26225 GPRESSURE: 4708000 108.809 60.8272 299.451 80.5267 -21.0928 48.5961 244.621 -77.1791 -19.2456 PRESSAVG: 4708000 12.5711 10.1884 35.1018 10.1884 3.35228 -2.50177 35.1019 -2.50179 -8.12271 GPRESSAVG: 4708000 12.051 9.39111 33.9589 10.4472 3.74484 -3.34169 35.4131 -3.7136 -7.9229 TIMING: 4708000 CPU: 14887.1, 0.00316958/step Wall: 14887.1, 0.00316958/step, 0.257088 hours remaining, 236.023438 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: 4708000 4035.3546 20203.4991 14502.6188 248.6522 -203544.3532 2797.4264 0.0000 0.0000 52095.7774 -109661.0249 299.3951 -161756.8023 -109286.2247 298.5141 -6.6296 22.8235 761130.8194 2.6002 2.6243 PRESSURE: 4708200 -131.04 -114.893 -119.397 -114.894 -151.427 58.2047 -119.398 58.2045 -237.109 GPRESSURE: 4708200 -120.652 -84.2599 -130.801 -148.594 20.1672 25.1529 -34.0817 37.7767 -314.196 PRESSAVG: 4708200 31.4904 8.33551 54.0338 8.33555 -28.9517 9.93655 54.0338 9.93657 -19.0208 GPRESSAVG: 4708200 31.5024 8.64499 54.2924 7.88155 -28.777 10.638 55.5308 8.94107 -19.0249 TIMING: 4708200 CPU: 14887.8, 0.00316605/step Wall: 14887.8, 0.00316605/step, 0.256626 hours remaining, 236.023438 MB of memory in use. ENERGY: 4708200 4016.7250 20581.1893 14536.4619 259.3734 -203590.6448 2494.6251 0.0000 0.0000 51992.9938 -109709.2763 298.8045 -161702.2701 -109350.1219 299.0447 -173.1922 -138.2267 761394.6247 -5.4940 -5.4332 LDB: ============= START OF LOAD BALANCING ============== 14900.3 LDB: ============== END OF LOAD BALANCING =============== 14900.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14900.3 LDB: ============= START OF LOAD BALANCING ============== 14900.6 LDB: Largest compute 7060 load 0.033701 is 17.2% of average load 0.195650 LDB: Average compute 0.004392 is 2.2% of average load 0.195650 LDB: TIME 14900.6 LOAD: AVG 0.19565 MAX 0.214352 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.523 MB LDB: TIME 14900.6 LOAD: AVG 0.19565 MAX 0.214352 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.727 MB LDB: TIME 14900.6 LOAD: AVG 0.19565 MAX 0.214352 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.727 MB LDB: ============== END OF LOAD BALANCING =============== 14900.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14900.6 PRESSURE: 4708400 -137.572 173.883 12.2436 173.883 -294.394 -100.129 12.2426 -100.128 -259.282 GPRESSURE: 4708400 -78.1095 196.676 -65.5849 204.163 -327.298 -104.932 -117.739 -96.5455 -234.785 PRESSAVG: 4708400 14.5211 -10.0818 78.6903 -10.0818 10.317 16.032 78.6902 16.0319 -3.11958 GPRESSAVG: 4708400 13.6729 -10.9833 78.5245 -8.58749 9.22602 16.3122 78.0468 16.8829 -1.21494 TIMING: 4708400 CPU: 14888.4, 0.00323486/step Wall: 14888.4, 0.00323486/step, 0.262023 hours remaining, 235.191406 MB of memory in use. ENERGY: 4708400 4035.9174 20751.5734 14524.4384 231.3370 -203736.9511 2589.9213 0.0000 0.0000 51936.5274 -109667.2362 298.4799 -161603.7635 -109308.1562 298.9551 -230.4158 -213.3975 761626.1104 7.2395 7.2280 PRESSURE: 4708600 -6.95568 -22.5447 58.9379 -22.5452 -292.063 -121.855 58.9371 -121.855 284.182 GPRESSURE: 4708600 18.6204 42.5881 56.174 4.19852 -229.252 -202.292 143.469 -153.461 271.495 PRESSAVG: 4708600 -0.217527 -3.28923 29.9517 -3.2893 -28.3166 -48.238 29.9516 -48.2379 23.3084 GPRESSAVG: 4708600 0.0181199 -1.75263 32.7809 -4.53083 -27.1721 -48.885 28.2242 -46.7238 21.7708 TIMING: 4708600 CPU: 14889, 0.00315651/step Wall: 14889, 0.00315651/step, 0.255502 hours remaining, 235.707031 MB of memory in use. ENERGY: 4708600 3947.7457 20342.4291 14562.5935 248.5830 -203878.2668 2764.9429 0.0000 0.0000 52311.6750 -109700.2977 300.6359 -162011.9727 -109335.9421 299.1344 -4.9456 20.2877 761566.0253 -1.7419 -1.7944 PRESSURE: 4708800 -82.0914 -23.5153 -29.4675 -23.5141 183.845 -116.728 -29.4674 -116.729 43.3893 GPRESSURE: 4708800 -32.5118 -92.7207 -173.136 0.162724 203.56 -91.5235 -84.6565 103.325 54.6641 PRESSAVG: 4708800 45.725 6.12414 23.6773 6.12415 26.0248 -33.5654 23.6772 -33.5654 -4.17306 GPRESSAVG: 4708800 46.0407 3.60537 21.5785 6.36172 26.219 -34.4278 23.5394 -32.6922 -4.99038 TIMING: 4708800 CPU: 14889.7, 0.00317439/step Wall: 14889.7, 0.00317439/step, 0.256773 hours remaining, 235.773438 MB of memory in use. ENERGY: 4708800 3934.8697 20499.5384 14486.0260 240.6545 -204007.4490 3012.8048 0.0000 0.0000 52127.8238 -109705.7317 299.5793 -161833.5555 -109351.3587 299.4199 48.3811 75.2375 762282.3375 22.5256 22.4231 PRESSURE: 4709000 -69.8207 147.134 157.233 147.134 -354.627 -92.844 157.233 -92.843 171.303 GPRESSURE: 4709000 -17.6015 169.984 131.881 136.033 -357.569 -104.791 55.2161 -19.4318 203.793 PRESSAVG: 4709000 50.206 43.0445 -39.9691 43.0445 5.54801 -1.13188 -39.9691 -1.1318 2.03767 GPRESSAVG: 4709000 48.7348 43.8648 -39.327 44.3403 5.76219 1.33639 -40.4158 -3.47382 4.04913 TIMING: 4709000 CPU: 14890.3, 0.00317353/step Wall: 14890.3, 0.00317353/step, 0.256527 hours remaining, 235.773438 MB of memory in use. ENERGY: 4709000 3966.3029 20484.9751 14594.3862 254.2655 -203852.6429 2693.3801 0.0000 0.0000 51992.2491 -109867.0840 298.8002 -161859.3331 -109504.2581 298.5410 -84.3815 -57.1259 763077.9252 19.2639 19.5154 PRESSURE: 4709200 132.666 67.4742 -37.8895 67.4751 185.015 -130 -37.8899 -130 -126.297 GPRESSURE: 4709200 193.566 -8.28776 -69.8846 -1.19816 202.813 -169.519 84.8591 -183.116 -117.686 PRESSAVG: 4709200 30.1668 -23.6181 6.61985 -23.6181 -64.4854 0.0576236 6.61986 0.0576151 -14.3771 GPRESSAVG: 4709200 30.2319 -24.3276 6.14214 -24.1706 -63.7344 -2.16982 8.54788 -0.0558861 -15.7227 TIMING: 4709200 CPU: 14891, 0.00319421/step Wall: 14891, 0.00319421/step, 0.258021 hours remaining, 235.773438 MB of memory in use. ENERGY: 4709200 3981.7010 20520.0176 14520.2991 251.1372 -204088.9519 2947.8599 0.0000 0.0000 51813.7000 -110054.2373 297.7740 -161867.9372 -109696.8262 297.9852 63.7946 92.8976 762291.0047 -16.2319 -16.4084 PRESSURE: 4709400 -346.776 23.0201 75.7103 23.0201 39.4526 -122.923 75.7104 -122.922 35.3406 GPRESSURE: 4709400 -175.653 48.8848 69.559 125.087 81.4156 -103.172 -44.0777 -144.697 -108.165 PRESSAVG: 4709400 28.8429 -13.8538 -70.3222 -13.8538 10.2371 15.7916 -70.3222 15.7915 -29.1535 GPRESSAVG: 4709400 29.7156 -11.6331 -72.5489 -14.8511 8.78351 17.1488 -70.208 15.4959 -28.6738 TIMING: 4709400 CPU: 14891.6, 0.00317222/step Wall: 14891.6, 0.00317222/step, 0.256069 hours remaining, 235.773438 MB of memory in use. ENERGY: 4709400 4014.2964 20472.0802 14551.5329 263.4430 -203616.7593 2537.9508 0.0000 0.0000 51944.4568 -109832.9992 298.5255 -161777.4559 -109479.1269 297.7357 -90.6608 -67.4677 760911.7208 3.3088 3.2751 PRESSURE: 4709600 332.216 -223.547 19.7357 -223.547 -199.92 -180.15 19.7354 -180.15 47.1286 GPRESSURE: 4709600 365.906 -175.085 39.2333 -236.128 -209.962 -182.961 -159.243 -248.478 86.5116 PRESSAVG: 4709600 35.3333 -4.23999 12.1476 -4.23995 -12.2295 -38.1226 12.1476 -38.1226 -22.3362 GPRESSAVG: 4709600 33.7428 -8.08433 13.9125 -2.26358 -11.0941 -39.2712 11.2832 -36.6583 -22.152 TIMING: 4709600 CPU: 14892.2, 0.00317803/step Wall: 14892.2, 0.00317803/step, 0.256361 hours remaining, 235.792969 MB of memory in use. ENERGY: 4709600 4012.4373 20552.4094 14485.0893 246.7568 -203644.5387 2603.4951 0.0000 0.0000 51957.5390 -109786.8119 298.6007 -161744.3510 -109434.4086 298.3032 59.8081 80.8184 758904.7724 0.2559 0.1656 PRESSURE: 4709800 -135.882 -93.0361 283.92 -93.0359 -212.654 7.18437 283.919 7.18497 -28.6019 GPRESSURE: 4709800 -137.237 -233.434 243.268 -59.1013 -174.168 -3.16734 313.299 -103.369 8.64595 PRESSAVG: 4709800 -67.5616 9.02469 14.1232 9.02473 -0.207966 -14.3455 14.1232 -14.3455 -24.6647 GPRESSAVG: 4709800 -66.9249 10.8342 13.957 7.13754 -1.22981 -13.2469 14.3368 -16.0767 -25.1752 TIMING: 4709800 CPU: 14892.9, 0.00316816/step Wall: 14892.9, 0.00316816/step, 0.255389 hours remaining, 235.792969 MB of memory in use. ENERGY: 4709800 4001.3592 20504.7482 14512.1062 223.5538 -203451.7721 2454.9742 0.0000 0.0000 52019.4403 -109735.5901 298.9564 -161755.0305 -109363.9513 298.1996 -125.7127 -100.9197 760250.9003 -30.8114 -31.1100 PRESSURE: 4710000 -43.6628 -184.91 17.8913 -184.911 393.338 -184.97 17.8916 -184.97 304.916 GPRESSURE: 4710000 56.295 -138.412 -26.8975 -214.788 355.679 -265.297 -59.8162 -98.0386 330.714 PRESSAVG: 4710000 16.9453 30.0088 -41.4491 30.0088 57.2836 -22.6316 -41.4491 -22.6315 6.6753 GPRESSAVG: 4710000 16.3812 28.916 -41.3618 30.6209 56.7907 -23.9537 -41.4674 -21.8618 7.78848 TIMING: 4710000 CPU: 14893.5, 0.00315064/step Wall: 14893.5, 0.00315064/step, 0.253802 hours remaining, 235.792969 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: 4710000 3906.7885 20568.2098 14483.8105 228.3948 -203917.0170 2694.2513 0.0000 0.0000 52198.6458 -109836.9164 299.9863 -162035.5622 -109475.3152 298.9593 218.1970 247.5624 757169.2202 26.9681 26.9868 PRESSURE: 4710200 -530.442 -61.3833 -16.6677 -61.3838 -508.778 109.304 -16.6684 109.304 -474.76 GPRESSURE: 4710200 -551.317 -39.1214 -58.5449 32.0148 -303.858 78.5277 77.1977 53.004 -554.265 PRESSAVG: 4710200 -12.4872 -21.091 -74.1507 -21.091 35.6757 -75.4633 -74.1507 -75.4632 -9.96385 GPRESSAVG: 4710200 -12.0467 -18.6961 -73.6041 -21.7077 36.3595 -74.9838 -74.6744 -74.6851 -11.0553 TIMING: 4710200 CPU: 14894.1, 0.00316588/step Wall: 14894.1, 0.00316588/step, 0.254853 hours remaining, 235.792969 MB of memory in use. ENERGY: 4710200 4167.2943 20575.0832 14543.3016 239.0435 -203204.4719 2257.7866 0.0000 0.0000 51581.7504 -109840.2122 296.4410 -161421.9626 -109494.4938 298.3672 -504.6601 -469.8134 761017.6143 4.4082 4.4191 PRESSURE: 4710400 -91.3408 90.8642 265.838 90.8639 62.398 -165.695 265.838 -165.695 -11.4438 GPRESSURE: 4710400 -73.1843 11.6704 256.75 59.8407 86.1885 -72.6408 185.437 -11.2855 50.5268 PRESSAVG: 4710400 6.89826 -5.63828 -13.8257 -5.6383 10.7397 -23.0543 -13.8257 -23.0543 -5.47994 GPRESSAVG: 4710400 5.86544 -7.54507 -14.6884 -4.0781 11.8456 -23.0622 -12.3112 -21.247 -5.54569 TIMING: 4710400 CPU: 14894.8, 0.00317148/step Wall: 14894.8, 0.00317148/step, 0.255128 hours remaining, 235.792969 MB of memory in use. ENERGY: 4710400 3991.1110 20609.8833 14541.5555 252.6370 -203931.3093 2664.6022 0.0000 0.0000 52144.7713 -109726.7490 299.6767 -161871.5203 -109358.2628 298.7379 -13.4622 21.1770 759830.1601 4.0527 4.0551 PRESSURE: 4710600 116.572 -110.875 -131.179 -110.874 215.952 2.33657 -131.178 2.33598 -364.893 GPRESSURE: 4710600 105.459 -22.0973 -75.0748 -55.2778 217.359 7.81057 -175.542 -13.1504 -267.527 PRESSAVG: 4710600 -56.9819 -0.140744 -21.4786 -0.140684 77.3681 29.513 -21.4785 29.513 25.9498 GPRESSAVG: 4710600 -56.8531 2.07908 -22.4129 -0.591355 76.9433 29.66 -20.9678 25.3318 26.5561 TIMING: 4710600 CPU: 14895.4, 0.00316692/step Wall: 14895.4, 0.00316692/step, 0.254586 hours remaining, 235.792969 MB of memory in use. ENERGY: 4710600 3994.3207 20624.9039 14571.8990 250.0703 -204012.6056 2676.8365 0.0000 0.0000 51859.0752 -110035.5000 298.0348 -161894.5752 -109683.1611 298.6087 -10.7896 18.4304 760387.7221 15.4453 15.5488 PRESSURE: 4710800 -246.201 96.6839 -254.195 96.6849 141.386 132.725 -254.195 132.726 63.5405 GPRESSURE: 4710800 -140.058 73.0618 -211.105 171.943 86.3163 57.1773 -213.611 117.917 107.267 PRESSAVG: 4710800 -47.8368 -28.1822 0.302868 -28.1822 64.1415 -10.8314 0.302952 -10.8313 -7.70235 GPRESSAVG: 4710800 -46.888 -29.5241 1.42655 -28.781 63.7769 -11.5737 -2.48017 -9.76787 -8.11022 TIMING: 4710800 CPU: 14896, 0.00315244/step Wall: 14896, 0.00315245/step, 0.253246 hours remaining, 235.792969 MB of memory in use. ENERGY: 4710800 3966.9912 20441.2215 14586.5356 243.0027 -203777.6840 2568.2156 0.0000 0.0000 51933.5182 -110038.1991 298.4626 -161971.7173 -109676.2330 298.2628 -13.7581 17.8415 759829.5413 2.8674 2.9262 PRESSURE: 4711000 617.319 -211.815 -12.4479 -211.816 299.337 9.65211 -12.4476 9.65212 -26.294 GPRESSURE: 4711000 614.964 -219.652 72.489 -168.845 323.425 -10.8766 67.715 54.4293 21.578 PRESSAVG: 4711000 -3.1625 -90.6178 -20.3662 -90.6179 8.41645 27.43 -20.3662 27.43 24.8588 GPRESSAVG: 4711000 -2.51132 -88.3686 -19.2034 -90.2871 6.96663 29.2996 -19.7298 27.1573 25.9639 TIMING: 4711000 CPU: 14896.7, 0.00315808/step Wall: 14896.7, 0.00315808/step, 0.253524 hours remaining, 235.792969 MB of memory in use. ENERGY: 4711000 3938.6903 20555.3871 14493.7332 257.4305 -204097.8892 2923.6519 0.0000 0.0000 51863.0955 -110065.9007 298.0579 -161928.9962 -109713.5058 297.7122 296.7876 319.9887 760339.1989 10.0376 10.1397 PRESSURE: 4711200 92.2605 -62.8664 120.173 -62.8659 -20.3723 12.2324 120.174 12.2321 -123.319 GPRESSURE: 4711200 166.795 105.738 125.788 -65.9927 -51.9332 14.4877 -1.51199 53.8304 -84.0187 PRESSAVG: 4711200 25.648 -3.42583 -61.3224 -3.42581 22.1833 -63.1887 -61.3224 -63.1887 27.0096 GPRESSAVG: 4711200 24.8676 -3.82684 -62.7393 -4.87175 23.4309 -63.6546 -58.0946 -60.7295 26.0931 TIMING: 4711200 CPU: 14897.3, 0.003157/step Wall: 14897.3, 0.00315699/step, 0.253261 hours remaining, 235.792969 MB of memory in use. ENERGY: 4711200 3998.1845 20512.7785 14553.2141 230.6895 -203976.5909 2625.1938 0.0000 0.0000 51877.0247 -110179.5059 298.1380 -162056.5305 -109813.1694 297.8157 -17.1434 10.2811 759145.4406 24.9470 24.7972 PRESSURE: 4711400 -286.123 158.48 82.1249 158.479 -327.051 -44.4087 82.1246 -44.4085 38.9271 GPRESSURE: 4711400 -197.919 82.6976 126.373 110.753 -309.325 -54.1382 -46.911 18.6558 38.1578 PRESSAVG: 4711400 37.1025 -21.3392 -72.6581 -21.3392 -10.3867 -14.9243 -72.6581 -14.9242 14.8371 GPRESSAVG: 4711400 36.9171 -20.9538 -72.2961 -22.056 -11.281 -15.0075 -74.8073 -17.6816 15.5656 TIMING: 4711400 CPU: 14897.9, 0.00316833/step Wall: 14897.9, 0.00316833/step, 0.253995 hours remaining, 235.792969 MB of memory in use. ENERGY: 4711400 4031.9043 20418.4674 14565.1582 232.1163 -203830.4248 2635.9624 0.0000 0.0000 51908.9265 -110037.8897 298.3213 -161946.8162 -109676.7171 298.1397 -191.4154 -156.3622 762150.5607 13.8509 13.7339 PRESSURE: 4711600 129.355 39.1373 -175.535 39.1367 -382.191 -169.322 -175.535 -169.321 101.373 GPRESSURE: 4711600 120.16 -4.97421 -53.6259 49.8481 -279.445 -183.112 -126.772 -93.7889 93.8278 PRESSAVG: 4711600 2.06319 39.9206 -28.4987 39.9206 34.5065 -40.491 -28.4986 -40.491 -12.2069 GPRESSAVG: 4711600 3.20331 37.0067 -28.0661 41.7393 34.8475 -41.8077 -26.5563 -38.4726 -13.2493 TIMING: 4711600 CPU: 14898.6, 0.00317093/step Wall: 14898.6, 0.00317094/step, 0.254027 hours remaining, 235.792969 MB of memory in use. ENERGY: 4711600 3975.7213 20608.2520 14585.7714 250.4568 -203760.7275 2552.6058 0.0000 0.0000 52020.4446 -109767.4756 298.9622 -161787.9202 -109400.9431 298.2728 -50.4874 -21.8188 760304.0395 8.1209 8.2672 PRESSURE: 4711800 57.8596 -114.17 -37.9308 -114.171 143.803 51.7834 -37.9312 51.783 367.387 GPRESSURE: 4711800 91.6811 -158.24 -60.0873 -0.857874 184.254 68.889 -46.2212 108.517 357.543 PRESSAVG: 4711800 6.64018 -39.5471 2.87645 -39.5471 14.5998 -47.4813 2.87654 -47.4813 12.8856 GPRESSAVG: 4711800 6.11561 -38.3338 2.47526 -38.5091 14.628 -46.6067 2.89112 -47.2801 12.9043 TIMING: 4711800 CPU: 14899.2, 0.00317436/step Wall: 14899.2, 0.00317436/step, 0.254125 hours remaining, 235.792969 MB of memory in use. ENERGY: 4711800 3976.0436 20510.2069 14568.0255 252.8718 -203792.5660 2645.9367 0.0000 0.0000 51980.6007 -109858.8808 298.7332 -161839.4815 -109494.0994 298.4108 189.6831 211.1594 761122.8096 11.3752 11.2160 PRESSURE: 4712000 -141.137 -141.666 82.0924 -141.667 265.538 151.736 82.0922 151.736 -226.385 GPRESSURE: 4712000 -74.4736 -114.182 131.773 -19.9642 172.65 62.5359 76.8351 223.491 -123.012 PRESSAVG: 4712000 4.46415 -13.6772 10.5269 -13.6773 52.0967 -22.9388 10.527 -22.9387 12.8825 GPRESSAVG: 4712000 4.26627 -13.7171 11.389 -14.6643 52.2073 -24.5247 9.18895 -24.3468 12.9318 TIMING: 4712000 CPU: 14899.8, 0.00316987/step Wall: 14899.8, 0.00316987/step, 0.25359 hours remaining, 235.792969 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: 4712000 3912.9543 20701.5069 14589.5122 249.7465 -203616.2722 2446.2663 0.0000 0.0000 52121.9706 -109594.3155 299.5457 -161716.2861 -109231.8752 298.8948 -33.9946 -8.2786 760205.9004 23.1478 23.1351 PRESSURE: 4712200 -112.622 160.565 -200.206 160.565 -393.737 -98.8308 -200.207 -98.8317 -761.78 GPRESSURE: 4712200 15.1221 19.8856 -8.60522 137.802 -394.257 -96.4032 -162.44 -198.351 -821.19 PRESSAVG: 4712200 5.14684 -23.2429 5.42156 -23.243 -9.84586 -34.3927 5.42154 -34.3928 20.2721 GPRESSAVG: 4712200 5.70449 -25.434 5.26702 -22.0691 -10.3804 -32.1474 5.444 -33.4627 20.1653 TIMING: 4712200 CPU: 14900.5, 0.00316941/step Wall: 14900.5, 0.00316941/step, 0.253377 hours remaining, 235.792969 MB of memory in use. ENERGY: 4712200 4041.7243 20599.4035 14599.3365 252.4803 -203245.9180 2191.1891 0.0000 0.0000 52036.7951 -109524.9891 299.0562 -161561.7843 -109168.3432 298.8976 -422.7130 -400.1084 762316.6628 5.1910 5.1631 LDB: ============= START OF LOAD BALANCING ============== 14913 LDB: ============== END OF LOAD BALANCING =============== 14913 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14913 LDB: ============= START OF LOAD BALANCING ============== 14913.3 LDB: Largest compute 7060 load 0.032779 is 16.8% of average load 0.195658 LDB: Average compute 0.004386 is 2.2% of average load 0.195658 LDB: TIME 14913.3 LOAD: AVG 0.195658 MAX 0.214755 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.094 MB LDB: TIME 14913.3 LOAD: AVG 0.195658 MAX 0.214755 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: TIME 14913.3 LOAD: AVG 0.195658 MAX 0.214755 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.281 MB LDB: ============== END OF LOAD BALANCING =============== 14913.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14913.3 PRESSURE: 4712400 -225.06 31.6459 148.066 31.6463 47.5499 37.6588 148.067 37.6591 229.613 GPRESSURE: 4712400 -145.716 -74.4779 218.874 92.6375 115.568 10.5534 96.502 45.352 194.651 PRESSAVG: 4712400 18.4882 9.45448 -27.4288 9.45452 -17.2751 -11.332 -27.4288 -11.3319 23.3842 GPRESSAVG: 4712400 18.5923 11.9893 -27.6327 9.28892 -17.5527 -12.3018 -29.1624 -12.4868 23.3656 TIMING: 4712400 CPU: 14901.1, 0.00324335/step Wall: 14901.1, 0.00324335/step, 0.259108 hours remaining, 235.929688 MB of memory in use. ENERGY: 4712400 3947.1652 20482.4016 14594.3623 240.7082 -203068.2762 2307.1470 0.0000 0.0000 51893.7167 -109602.7752 298.2339 -161496.4919 -109238.2346 298.5781 17.3676 54.8344 762804.2926 8.1991 8.1351 PRESSURE: 4712600 103.36 -99.6137 -17.0191 -99.6141 66.9938 -170.411 -17.0191 -170.41 -21.6021 GPRESSURE: 4712600 192.801 -5.53545 63.2458 -156.62 38.7214 -125.241 -39.4165 -127.573 0.0264783 PRESSAVG: 4712600 -23.7745 -14.9681 -33.8239 -14.9681 -8.31897 -2.40393 -33.8239 -2.4039 -7.48656 GPRESSAVG: 4712600 -24.403 -16.3093 -32.9463 -15.7592 -7.63389 -2.8229 -30.2613 -0.622066 -8.02369 TIMING: 4712600 CPU: 14901.7, 0.00319831/step Wall: 14901.7, 0.00319831/step, 0.255332 hours remaining, 236.390625 MB of memory in use. ENERGY: 4712600 4006.7697 20536.8886 14590.4833 235.6230 -203949.3756 3071.9637 0.0000 0.0000 51899.4029 -109608.2443 298.2666 -161507.6473 -109243.1854 298.8274 49.5840 77.1830 762677.9169 -13.1933 -13.3535 PRESSURE: 4712800 36.6164 203.597 2.69349 203.598 -86.5882 -66.6283 2.69369 -66.6291 -8.35752 GPRESSURE: 4712800 -3.79779 133.647 -60.8793 147.47 77.7015 -51.0402 31.7935 -42.0793 -42.0514 PRESSAVG: 4712800 -18.7196 42.3844 33.0543 42.3844 -40.6491 37.7929 33.0542 37.7929 14.5854 GPRESSAVG: 4712800 -18.8658 41.7834 32.4319 42.4894 -40.5511 39.2755 30.769 36.3504 14.0832 TIMING: 4712800 CPU: 14902.4, 0.00318032/step Wall: 14902.4, 0.00318032/step, 0.253719 hours remaining, 236.390625 MB of memory in use. ENERGY: 4712800 3968.3309 20720.3707 14525.8617 256.3810 -203723.4638 2639.1606 0.0000 0.0000 51994.3062 -109619.0527 298.8120 -161613.3589 -109251.6927 298.8137 -19.4431 10.6174 762810.8241 -14.9278 -15.1112 PRESSURE: 4713000 253.117 67.9534 111.346 67.9528 56.4974 158.949 111.346 158.949 63.5434 GPRESSURE: 4713000 309.654 14.155 102.201 78.3598 77.7317 185.158 13.8397 108.745 69.4054 PRESSAVG: 4713000 55.824 54.9182 1.5644 54.9183 -51.2869 -24.4772 1.56436 -24.4772 21.8291 GPRESSAVG: 4713000 55.3017 56.4222 2.89408 54.9925 -52.0351 -24.7005 1.63855 -24.3196 23.2588 TIMING: 4713000 CPU: 14903, 0.00317333/step Wall: 14903, 0.00317333/step, 0.252985 hours remaining, 236.390625 MB of memory in use. ENERGY: 4713000 4093.5449 20561.9974 14453.6823 226.1027 -204259.9592 2975.1532 0.0000 0.0000 52043.2026 -109906.2761 299.0930 -161949.4788 -109550.3247 298.5418 124.3861 152.2638 760737.6041 8.7887 8.8418 PRESSURE: 4713200 260.339 -9.11068 107.29 -9.11079 134.259 172.965 107.29 172.965 66.8515 GPRESSURE: 4713200 368.177 8.05857 113.151 -59.331 150.592 219.087 44.8608 144.882 35.752 PRESSAVG: 4713200 60.0415 -19.3243 8.67791 -19.3242 -27.9209 42.629 8.67788 42.6288 16.5229 GPRESSAVG: 4713200 61.106 -18.4435 7.99264 -19.698 -27.6091 42.4629 8.38337 41.7788 15.4597 TIMING: 4713200 CPU: 14903.6, 0.00315927/step Wall: 14903.6, 0.00315927/step, 0.251689 hours remaining, 236.390625 MB of memory in use. ENERGY: 4713200 4030.1638 20307.4428 14510.9986 232.3672 -204070.4379 2957.2932 0.0000 0.0000 52149.5332 -109882.6391 299.7041 -162032.1724 -109515.1590 298.1421 153.8162 184.8404 759692.3475 16.2145 16.3188 PRESSURE: 4713400 -167.782 62.9625 94.0774 62.9619 47.3183 -115.991 94.0783 -115.991 314.602 GPRESSURE: 4713400 -76.3421 -53.9814 173.406 86.0999 26.5156 18.9725 13.7328 -234.017 326.253 PRESSAVG: 4713400 -8.77019 -44.0541 -43.4314 -44.0541 59.884 64.032 -43.4314 64.0321 12.092 GPRESSAVG: 4713400 -10.3163 -45.6557 -45.923 -41.819 59.5099 64.8926 -42.0512 63.282 14.0198 TIMING: 4713400 CPU: 14904.3, 0.00316527/step Wall: 14904.3, 0.00316527/step, 0.25199 hours remaining, 236.390625 MB of memory in use. ENERGY: 4713400 4052.1272 20412.3679 14585.6610 239.7883 -203645.3046 2542.0854 0.0000 0.0000 52050.6080 -109762.6667 299.1356 -161813.2748 -109390.7323 298.0541 64.7128 92.1421 760029.5322 21.0686 21.0711 PRESSURE: 4713600 26.1239 -52.2844 45.2279 -52.2842 -6.19747 -102.862 45.2292 -102.861 -145.649 GPRESSURE: 4713600 77.6864 -0.364372 29.3725 -51.9669 18.4402 -101.942 80.1745 -95.5588 -123.527 PRESSAVG: 4713600 -6.29924 -42.8695 -7.49204 -42.8695 16.43 33.1822 -7.49203 33.1822 -17.2396 GPRESSAVG: 4713600 -5.51921 -42.4176 -6.27577 -43.0719 16.293 31.0213 -8.14219 32.9226 -17.8702 TIMING: 4713600 CPU: 14904.9, 0.0031651/step Wall: 14904.9, 0.0031651/step, 0.251801 hours remaining, 236.441406 MB of memory in use. ENERGY: 4713600 3974.2020 20642.2638 14475.5748 249.7241 -203430.5620 2468.6749 0.0000 0.0000 51928.9967 -109691.1258 298.4367 -161620.1225 -109331.9742 298.7901 -41.9075 -9.1335 760809.7168 -2.3696 -2.3655 PRESSURE: 4713800 82.065 -54.0986 176.89 -54.0982 -105.037 -238.543 176.89 -238.544 153.726 GPRESSURE: 4713800 19.7746 -20.038 140.793 -37.9554 37.3491 -273.309 150.954 -102.191 143.219 PRESSAVG: 4713800 3.98658 17.5911 5.72266 17.5911 -12.5973 -21.4487 5.72268 -21.4487 7.4755 GPRESSAVG: 4713800 3.57558 16.5433 6.87574 15.6714 -11.4353 -19.7437 4.88818 -19.8032 6.73051 TIMING: 4713800 CPU: 14905.5, 0.00317417/step Wall: 14905.5, 0.00317417/step, 0.252347 hours remaining, 236.644531 MB of memory in use. ENERGY: 4713800 3909.6265 20650.5606 14534.1004 245.0950 -203280.0866 2392.1889 0.0000 0.0000 52004.8958 -109543.6193 298.8729 -161548.5151 -109180.8893 299.2534 43.5846 66.7810 761586.7110 -0.3784 -0.3764 PRESSURE: 4714000 -305.344 -27.6479 20.3458 -27.6481 271.093 34.3172 20.3462 34.3169 127.367 GPRESSURE: 4714000 -220.621 -34.9571 10.1833 5.60967 324.938 7.55599 -17.9891 -28.48 72.6248 PRESSAVG: 4714000 -27.2488 -20.1531 18.059 -20.153 43.6104 2.13194 18.059 2.13194 6.37022 GPRESSAVG: 4714000 -27.21 -18.9302 17.6578 -18.7671 41.9423 0.40247 17.7209 3.90898 8.34952 TIMING: 4714000 CPU: 14906.2, 0.00317583/step Wall: 14906.2, 0.00317583/step, 0.252302 hours remaining, 236.644531 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: 4714000 3978.9632 20494.0582 14474.8698 248.1620 -203981.1404 2731.0287 0.0000 0.0000 52272.5717 -109781.4868 300.4112 -162054.0585 -109411.2314 298.6716 31.0385 58.9807 760387.0255 7.5773 7.6939 PRESSURE: 4714200 -438.334 -104.817 11.7504 -104.817 -29.9614 130.17 11.7505 130.171 -13.7918 GPRESSURE: 4714200 -431.529 -62.2914 -31.9632 -115.066 14.5222 156.302 6.51862 152.864 20.7455 PRESSAVG: 4714200 -67.8917 8.71118 13.081 8.71111 -3.27005 -1.76781 13.081 -1.76795 3.33666 GPRESSAVG: 4714200 -68.205 7.20017 13.8946 10.4712 -2.64208 -0.0691242 14.4686 -2.67661 2.68915 TIMING: 4714200 CPU: 14906.8, 0.00319125/step Wall: 14906.8, 0.00319125/step, 0.25335 hours remaining, 236.644531 MB of memory in use. ENERGY: 4714200 3949.6126 20361.5853 14450.7842 252.6674 -203228.0702 2500.3266 0.0000 0.0000 52187.8400 -109525.2541 299.9242 -161713.0941 -109157.9268 298.5209 -160.6957 -132.0871 763572.0126 -22.6084 -22.7193 PRESSURE: 4714400 -260.606 -40.1881 -7.14376 -40.1882 142.653 43.5971 -7.14418 43.5975 -349.207 GPRESSURE: 4714400 -191.348 -53.4127 -43.8534 -61.7243 101.802 19.3917 -0.0137161 4.00789 -302.327 PRESSAVG: 4714400 -60.6399 20.2669 12.2291 20.267 46.9601 -0.146109 12.2291 -0.146005 -24.1127 GPRESSAVG: 4714400 -60.6263 20.7952 12.221 18.5596 47.4551 -2.46181 13.7615 -0.214433 -24.6599 TIMING: 4714400 CPU: 14907.5, 0.00317776/step Wall: 14907.5, 0.00317776/step, 0.252102 hours remaining, 236.644531 MB of memory in use. ENERGY: 4714400 4010.8854 20348.7705 14508.3627 229.4577 -203557.0903 2687.0066 0.0000 0.0000 51960.2114 -109812.3960 298.6160 -161772.6075 -109437.8552 298.3412 -155.7200 -130.6241 762964.9495 -12.5975 -12.6104 PRESSURE: 4714600 38.153 -68.9589 83.1506 -68.959 -117.569 38.516 83.1504 38.5167 57.2137 GPRESSURE: 4714600 50.2018 -127.992 173.715 -27.746 -0.246873 104.44 -5.27088 50.082 23.7832 PRESSAVG: 4714600 2.077 -23.9951 30.3717 -23.9951 6.04439 26.5974 30.3716 26.5974 -16.0213 GPRESSAVG: 4714600 2.55489 -24.6828 32.1707 -23.3699 6.50181 28.4285 28.4594 24.9919 -17.4002 TIMING: 4714600 CPU: 14908.1, 0.00318138/step Wall: 14908.1, 0.00318138/step, 0.252212 hours remaining, 236.644531 MB of memory in use. ENERGY: 4714600 3984.8102 20621.4048 14425.5390 236.8497 -203418.0725 2591.0285 0.0000 0.0000 51811.8472 -109746.5929 297.7634 -161558.4401 -109379.3101 298.4412 -7.4007 24.5794 762701.8667 -2.6333 -2.7812 PRESSURE: 4714800 -110.978 226.166 117.682 226.166 -197.07 124.23 117.682 124.229 -115.188 GPRESSURE: 4714800 -31.9668 162.55 128.111 136.197 -227.829 104.269 165.689 22.7899 -75.5713 PRESSAVG: 4714800 45.3642 18.5589 88.2251 18.5589 -13.1706 -0.136776 88.2251 -0.136741 28.2948 GPRESSAVG: 4714800 45.8002 18.9539 85.1633 17.6876 -13.5402 -1.22513 88.9545 -1.58531 28.495 TIMING: 4714800 CPU: 14908.7, 0.00316336/step Wall: 14908.7, 0.00316336/step, 0.250609 hours remaining, 236.644531 MB of memory in use. ENERGY: 4714800 4027.0368 20619.9066 14496.1895 241.5345 -203636.6389 2694.5865 0.0000 0.0000 52043.0204 -109514.3647 299.0920 -161557.3850 -109156.7381 298.8942 -141.0787 -111.7890 762801.8111 20.1628 20.2517 PRESSURE: 4715000 -135.557 101.232 -38.533 101.232 -101.437 -243.957 -38.5329 -243.958 41.9804 GPRESSURE: 4715000 -143.391 -35.3381 -20.0438 123.71 -9.21238 -232.136 34.1157 -175.624 52.3858 PRESSAVG: 4715000 -41.3526 -14.4397 -0.971797 -14.4398 8.72525 -6.17734 -0.971789 -6.17731 0.398078 GPRESSAVG: 4715000 -41.9666 -13.4295 -0.338725 -14.1108 8.13231 -5.85813 -1.37971 -4.0215 1.69799 TIMING: 4715000 CPU: 14909.4, 0.00315363/step Wall: 14909.4, 0.00315363/step, 0.249663 hours remaining, 236.644531 MB of memory in use. ENERGY: 4715000 4007.2103 20444.5859 14448.3610 239.5163 -203637.3128 2776.6958 0.0000 0.0000 52108.0931 -109612.8504 299.4659 -161720.9435 -109240.7901 298.9498 -65.0047 -33.4059 761786.8183 -10.7431 -10.7121 PRESSURE: 4715200 222.327 44.9418 349.13 44.9405 216.603 -64.6708 349.131 -64.6707 -601.731 GPRESSURE: 4715200 254.381 170.906 384.198 -29.5539 253.962 4.53661 295.935 -40.2942 -583.435 PRESSAVG: 4715200 -50.9803 -55.5928 31.9319 -55.5928 81.9772 -46.0297 31.932 -46.0297 11.0021 GPRESSAVG: 4715200 -50.375 -54.9119 33.623 -56.6138 82.7978 -44.8347 32.2017 -46.5139 9.9898 TIMING: 4715200 CPU: 14910, 0.00316553/step Wall: 14910, 0.00316553/step, 0.250429 hours remaining, 236.644531 MB of memory in use. ENERGY: 4715200 3952.6256 20445.1116 14411.6787 254.4401 -202898.4179 2408.1041 0.0000 0.0000 51922.3600 -109504.0978 298.3985 -161426.4577 -109137.7265 298.8251 -54.2671 -25.0304 762121.0847 13.9997 14.1375 PRESSURE: 4715400 43.5499 47.1163 238.393 47.116 -229.892 -5.99644 238.393 -5.99636 -230.105 GPRESSURE: 4715400 72.5184 49.596 165.744 46.1783 -182.261 6.69986 150.329 14.8246 -221.535 PRESSAVG: 4715400 -25.829 -33.7017 37.5667 -33.7017 5.6531 -46.5277 37.5667 -46.5277 14.1341 GPRESSAVG: 4715400 -27.5647 -35.6119 35.2583 -33.1658 6.31934 -48.2462 36.9835 -46.8697 15.3933 TIMING: 4715400 CPU: 14910.6, 0.00317682/step Wall: 14910.6, 0.00317682/step, 0.251145 hours remaining, 236.644531 MB of memory in use. ENERGY: 4715400 4020.4994 20511.1011 14420.2241 267.4302 -203056.9887 2558.4231 0.0000 0.0000 51847.6296 -109431.6812 297.9690 -161279.3108 -109073.8835 298.4135 -138.8157 -110.4257 763926.6040 -2.0139 -1.9507 PRESSURE: 4715600 -11.0971 -324.795 -80.1412 -324.794 -18.778 -52.9656 -80.1412 -52.9651 342.336 GPRESSURE: 4715600 126.039 -236.583 -22.6996 -202.018 -26.2102 -95.4566 -32.6966 -102.184 294.629 PRESSAVG: 4715600 2.50593 -91.3242 10.5163 -91.3241 24.6144 -23.763 10.5163 -23.763 -4.78708 GPRESSAVG: 4715600 3.66485 -89.9178 11.2747 -92.0973 25.5021 -22.4766 12.3403 -25.4235 -6.42526 TIMING: 4715600 CPU: 14911.3, 0.0031791/step Wall: 14911.3, 0.0031791/step, 0.251149 hours remaining, 236.644531 MB of memory in use. ENERGY: 4715600 3949.6628 20664.2229 14536.1822 264.1836 -203706.5065 2984.9878 0.0000 0.0000 51896.8906 -109410.3766 298.2521 -161307.2672 -109051.8200 299.5332 104.1538 131.4861 763774.7258 7.4444 7.5806 PRESSURE: 4715800 -343.847 -60.841 -106.16 -60.8424 16.6609 290.379 -106.16 290.38 124.363 GPRESSURE: 4715800 -199.534 -38.946 -122.051 -37.5002 -39.5578 285.994 -137.079 362.36 134.677 PRESSAVG: 4715800 -12.1148 -19.5657 65.517 -19.5657 7.50911 49.2323 65.517 49.2323 -16.7555 GPRESSAVG: 4715800 -11.5406 -19.0942 66.9246 -20.1953 5.90542 50.1776 64.13 50.7187 -15.7948 TIMING: 4715800 CPU: 14911.9, 0.00320028/step Wall: 14911.9, 0.00320028/step, 0.252644 hours remaining, 236.644531 MB of memory in use. ENERGY: 4715800 3912.6773 20544.6110 14479.5222 263.9254 -203578.9740 2653.8379 0.0000 0.0000 52050.6754 -109673.7248 299.1359 -161724.4002 -109309.5615 299.1684 -67.6078 -34.8050 763148.1760 -7.1204 -7.1433 PRESSURE: 4716000 142.646 68.7278 91.0628 68.7272 302.839 9.41664 91.0627 9.41784 227.289 GPRESSURE: 4716000 159 -49.5615 65.0887 -38.7792 370.658 45.7511 169.279 -4.63747 232.461 PRESSAVG: 4716000 20.9907 -0.595419 63.9283 -0.595381 -4.05391 -66.6504 63.9283 -66.6505 -22.6778 GPRESSAVG: 4716000 22.5269 -1.58926 62.7239 -0.45633 -3.8075 -67.5024 65.2886 -65.6488 -24.1236 TIMING: 4716000 CPU: 14912.5, 0.00315553/step Wall: 14912.5, 0.00315553/step, 0.248936 hours remaining, 236.644531 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: 4716000 3909.5913 20451.4064 14464.4173 263.0878 -203979.7013 3159.6086 0.0000 0.0000 51914.2323 -109817.3576 298.3518 -161731.5899 -109460.3900 298.3591 224.2582 254.0396 762889.2451 -1.9137 -1.8014 PRESSURE: 4716200 165.467 27.662 44.7492 27.6624 -7.85616 -54.8268 44.7495 -54.8264 -250.583 GPRESSURE: 4716200 134.623 36.3662 70.2795 -65.9002 36.1013 -21.0842 -64.176 -37.9936 -174.693 PRESSAVG: 4716200 27.947 -3.70656 73.8568 -3.70661 12.8692 -28.5556 73.8568 -28.5556 34.166 GPRESSAVG: 4716200 27.9297 -2.53875 73.801 -6.44037 12.0615 -29.4674 73.5881 -29.7252 34.4504 TIMING: 4716200 CPU: 14913.2, 0.00317816/step Wall: 14913.2, 0.00317816/step, 0.250545 hours remaining, 236.644531 MB of memory in use. ENERGY: 4716200 3878.4341 20495.2403 14531.3478 265.3651 -203613.1043 2737.6419 0.0000 0.0000 51744.2821 -109960.7930 297.3751 -161705.0751 -109596.5257 298.0091 -30.9908 -1.3231 762458.6296 24.9940 24.8138 LDB: ============= START OF LOAD BALANCING ============== 14925.7 LDB: ============== END OF LOAD BALANCING =============== 14925.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14925.7 LDB: ============= START OF LOAD BALANCING ============== 14926 LDB: Largest compute 7060 load 0.034380 is 17.6% of average load 0.195574 LDB: Average compute 0.004372 is 2.2% of average load 0.195574 LDB: TIME 14926 LOAD: AVG 0.195574 MAX 0.214753 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.742 MB LDB: TIME 14926 LOAD: AVG 0.195574 MAX 0.214753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.945 MB LDB: TIME 14926 LOAD: AVG 0.195574 MAX 0.214753 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.945 MB LDB: ============== END OF LOAD BALANCING =============== 14926 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14926 PRESSURE: 4716400 6.71542 185.812 146.125 185.811 -383.361 66.5023 146.125 66.5038 -426.048 GPRESSURE: 4716400 35.1219 161.334 211.922 243.061 -341.866 53.5292 -132.246 5.28227 -409.529 PRESSAVG: 4716400 -2.65483 13.4484 33.1382 13.4484 -0.0118957 4.70415 33.1383 4.70415 -13.5491 GPRESSAVG: 4716400 -5.60291 11.9689 32.7078 18.6358 1.16244 6.01495 31.4945 5.65697 -12.2243 TIMING: 4716400 CPU: 14913.8, 0.00324097/step Wall: 14913.8, 0.00324097/step, 0.255317 hours remaining, 235.906250 MB of memory in use. ENERGY: 4716400 4044.3922 20479.5110 14494.5732 244.3979 -203821.2272 2714.9292 0.0000 0.0000 51953.3305 -109890.0932 298.5765 -161843.4237 -109525.8302 297.9133 -267.5645 -238.7576 762992.0691 -5.4053 -5.5549 PRESSURE: 4716600 -250.086 53.1015 -268.207 53.1021 -106.256 56.7191 -268.209 56.7191 39.4191 GPRESSURE: 4716600 -213.68 -4.68576 -216.808 83.1758 -80.0262 97.822 -212.872 25.8571 66.776 PRESSAVG: 4716600 -6.13062 41.6277 41.8213 41.6277 -19.3196 -44.3242 41.8213 -44.3243 -13.9477 GPRESSAVG: 4716600 -4.92472 42.7586 42.0576 41.9019 -18.8236 -44.4642 42.8895 -46.3487 -15.002 TIMING: 4716600 CPU: 14914.5, 0.00319212/step Wall: 14914.5, 0.00319212/step, 0.251291 hours remaining, 235.906250 MB of memory in use. ENERGY: 4716600 4026.1507 20478.2605 14529.5211 239.2135 -203417.1844 2732.5619 0.0000 0.0000 51550.5596 -109860.9171 296.2618 -161411.4767 -109500.7788 298.1562 -105.6408 -75.6434 763075.7300 -13.1326 -12.9168 PRESSURE: 4716800 179.131 24.7524 130.62 24.7523 338.315 -122.581 130.619 -122.58 337.949 GPRESSURE: 4716800 190.14 -18.4377 110.384 -8.57078 303.537 -127.34 154.393 19.7914 456.791 PRESSAVG: 4716800 -23.0808 -18.9202 -11.1021 -18.9202 25.6657 49.2125 -11.1021 49.2126 -0.803712 GPRESSAVG: 4716800 -22.4377 -20.633 -11.2744 -18.4566 26.0272 49.1806 -12.5298 50.7319 -1.69355 TIMING: 4716800 CPU: 14915.1, 0.00318548/step Wall: 14915.1, 0.00318548/step, 0.250591 hours remaining, 235.906250 MB of memory in use. ENERGY: 4716800 3977.6532 20418.3849 14433.6070 235.8036 -203767.1232 2936.8494 0.0000 0.0000 52074.5730 -109690.2521 299.2733 -161764.8251 -109333.4165 297.9396 285.1319 316.8229 760378.2027 0.5937 0.6320 PRESSURE: 4717000 -339.979 -172.008 110.01 -172.007 -52.0093 -9.98221 110.011 -9.98096 -382.551 GPRESSURE: 4717000 -357.015 -164.734 84.1339 -130.174 -6.9339 -4.5074 160.79 44.2382 -333.749 PRESSAVG: 4717000 -51.2369 9.54257 -2.91629 9.5426 62.2926 -2.84439 -2.91627 -2.84433 5.63944 GPRESSAVG: 4717000 -52.922 11.2289 -2.17596 9.68318 61.6082 -3.5014 -3.68843 -1.90506 7.88291 TIMING: 4717000 CPU: 14915.7, 0.00317258/step Wall: 14915.7, 0.00317258/step, 0.2494 hours remaining, 235.906250 MB of memory in use. ENERGY: 4717000 3992.5164 20610.0735 14531.6153 235.4865 -203521.5768 2501.2002 0.0000 0.0000 51987.5040 -109663.1810 298.7729 -161650.6850 -109298.6985 299.0147 -258.1798 -232.5660 761443.8667 5.5651 5.5230 PRESSURE: 4717200 115.31 -37.1287 -160.079 -37.1298 78.6977 -50.0339 -160.079 -50.0344 29.8292 GPRESSURE: 4717200 184.391 -120.815 -142.24 -94.8195 57.552 -49.0904 -169.941 -47.914 68.7455 PRESSAVG: 4717200 -27.1613 -60.0254 12.8188 -60.0253 16.6265 -12.2154 12.8188 -12.2155 -14.539 GPRESSAVG: 4717200 -26.8739 -59.5751 12.4358 -61.4119 16.514 -12.0719 12.586 -14.6964 -15.0193 TIMING: 4717200 CPU: 14916.4, 0.00315014/step Wall: 14916.4, 0.00315014/step, 0.247461 hours remaining, 235.906250 MB of memory in use. ENERGY: 4717200 4051.8609 20465.6960 14518.5260 238.2455 -203872.3265 2995.8277 0.0000 0.0000 52062.9625 -109539.2079 299.2066 -161602.1704 -109180.6272 298.9528 74.6124 103.5627 759725.6182 -8.3579 -8.4598 PRESSURE: 4717400 -417.689 -186.779 -63.6009 -186.779 -185.448 -78.9034 -63.6008 -78.9029 -94.3288 GPRESSURE: 4717400 -372.312 -90.6264 -23.985 -127.17 -153.658 -108.854 -189.16 -52.0705 -90.6233 PRESSAVG: 4717400 -32.2122 30.5465 15.6156 30.5466 64.0911 -24.9787 15.6157 -24.9787 -5.09871 GPRESSAVG: 4717400 -31.8904 29.062 14.2228 30.8801 64.3997 -25.5232 17.7265 -22.4417 -4.93341 TIMING: 4717400 CPU: 14917, 0.00316575/step Wall: 14917, 0.00316575/step, 0.248511 hours remaining, 235.906250 MB of memory in use. ENERGY: 4717400 4013.9714 20483.2961 14498.0381 237.0568 -203024.8375 2206.0489 0.0000 0.0000 51908.5042 -109677.9220 298.3189 -161586.4262 -109312.6349 298.6179 -232.4887 -205.5310 761804.7545 8.9268 9.1920 PRESSURE: 4717600 -204.826 65.6796 15.3541 65.6799 -50.2341 15.3145 15.3536 15.3149 125.283 GPRESSURE: 4717600 -142.086 93.3889 57.4769 65.6009 -137.81 -9.31502 137.385 30.6693 213.114 PRESSAVG: 4717600 -47.3827 8.24027 -22.8992 8.2402 72.8394 -38.6209 -22.8992 -38.6209 7.48189 GPRESSAVG: 4717600 -46.6262 8.51792 -21.2613 10.0741 71.534 -37.9496 -23.1659 -42.2948 7.82976 TIMING: 4717600 CPU: 14917.6, 0.0031795/step Wall: 14917.6, 0.0031795/step, 0.249414 hours remaining, 235.906250 MB of memory in use. ENERGY: 4717600 4070.6647 20570.9008 14441.8283 236.8735 -203381.9171 2575.0910 0.0000 0.0000 51967.0039 -109519.5549 298.6551 -161486.5588 -109155.6013 299.4425 -43.2589 -22.2607 761092.8116 10.9796 10.9125 PRESSURE: 4717800 -171.025 -176.888 200.59 -176.889 -2.9186 -141.03 200.59 -141.03 -241.52 GPRESSURE: 4717800 -101.265 -130.609 244.684 -101.28 26.8776 -120.339 208.778 -105.403 -250.385 PRESSAVG: 4717800 16.4931 -17.032 8.35345 -17.032 -1.70596 25.7465 8.35347 25.7466 -16.7808 GPRESSAVG: 4717800 15.7203 -16.1578 6.47269 -17.4181 -0.335911 26.063 7.69067 29.7582 -16.7956 TIMING: 4717800 CPU: 14918.3, 0.00319414/step Wall: 14918.3, 0.00319414/step, 0.250385 hours remaining, 235.906250 MB of memory in use. ENERGY: 4717800 4017.5237 20414.3483 14498.8692 248.0192 -203006.1064 2498.2261 0.0000 0.0000 51957.3989 -109371.7210 298.5999 -161329.1199 -109002.9923 298.9472 -138.4879 -108.2574 760798.8274 -0.6645 -0.4704 PRESSURE: 4718000 -47.3026 -213.168 24.6791 -213.167 -178.27 -30.5497 24.6791 -30.5485 383.668 GPRESSURE: 4718000 -20.0908 -187.681 41.1589 -301.613 -125.85 81.3654 -58.8025 -20.6686 422.75 PRESSAVG: 4718000 -10.3344 9.579 -21.5302 9.57897 25.7231 22.8944 -21.5302 22.8944 6.71236 GPRESSAVG: 4718000 -8.72275 6.70958 -19.955 9.67185 25.7351 22.8951 -20.4138 21.8118 5.11932 TIMING: 4718000 CPU: 14918.9, 0.00318277/step Wall: 14918.9, 0.00318277/step, 0.249317 hours remaining, 235.906250 MB of memory 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 3940.7403 20316.8824 14497.2669 254.2352 -203318.3918 2746.4955 0.0000 0.0000 52165.9068 -109396.8647 299.7982 -161562.7715 -109033.8101 299.3039 52.6984 92.2697 762779.5004 7.3670 7.3772 PRESSURE: 4718200 89.6403 -51.6694 -128.743 -51.6701 -200.913 -12.3524 -128.743 -12.3523 -226.265 GPRESSURE: 4718200 180.644 -88.6683 -102.857 -50.7661 -168.124 -83.9425 -20.58 -99.2852 -261.881 PRESSAVG: 4718200 -26.3346 -69.862 -18.8169 -69.862 -28.038 -16.9295 -18.8169 -16.9296 -2.26656 GPRESSAVG: 4718200 -26.937 -69.5536 -18.5209 -71.7469 -30.1622 -17.5009 -18.5846 -18.3492 -0.0924164 TIMING: 4718200 CPU: 14919.5, 0.00316905/step Wall: 14919.5, 0.00316905/step, 0.248066 hours remaining, 235.906250 MB of memory in use. ENERGY: 4718200 4054.5311 20442.4251 14541.9429 241.8920 -202867.4867 2328.7133 0.0000 0.0000 52027.4772 -109230.5052 299.0026 -161257.9824 -108859.5835 299.1789 -112.5128 -83.1200 763285.8925 -18.8797 -19.0639 PRESSURE: 4718400 -211.828 148.344 71.0091 148.343 62.731 -191.68 71.0091 -191.679 -177.497 GPRESSURE: 4718400 -182.877 125.618 11.5284 196.181 142.592 -223.796 109.868 -102.677 -197.633 PRESSAVG: 4718400 12.9579 2.64827 -13.442 2.64827 -9.87539 -52.1491 -13.442 -52.1491 -4.86322 GPRESSAVG: 4718400 12.3508 4.20311 -11.6965 2.54803 -9.13181 -52.1548 -17.5113 -50.6107 -5.0797 TIMING: 4718400 CPU: 14920.2, 0.00318668/step Wall: 14920.2, 0.00318668/step, 0.249269 hours remaining, 235.906250 MB of memory in use. ENERGY: 4718400 4060.4105 20504.7927 14482.1208 256.4300 -202744.3344 2208.4831 0.0000 0.0000 52128.4933 -109103.6040 299.5832 -161232.0973 -108731.6428 299.4011 -108.8644 -79.3057 763702.2759 -0.5936 -0.6202 PRESSURE: 4718600 -241.924 -92.1341 -256.705 -92.1344 125.306 -242.306 -256.705 -242.306 -48.6252 GPRESSURE: 4718600 -188.623 -148.614 -336.12 13.7557 144.136 -190.093 -267.97 -188.467 -19.6177 PRESSAVG: 4718600 11.2473 -19.7285 -21.6142 -19.7286 15.2931 -27.2828 -21.6142 -27.2828 14.4594 GPRESSAVG: 4718600 11.7963 -20.2909 -22.6451 -18.378 15.6653 -27.6607 -18.9891 -27.9747 13.4963 TIMING: 4718600 CPU: 14920.8, 0.00318726/step Wall: 14920.8, 0.00318726/step, 0.249137 hours remaining, 235.906250 MB of memory in use. ENERGY: 4718600 3955.5662 20525.5346 14544.6694 234.9970 -203133.0141 2480.4637 0.0000 0.0000 52188.2928 -109203.4903 299.9268 -161391.7831 -108841.1791 299.9552 -55.0811 -21.3682 761596.1098 13.6666 13.6526 PRESSURE: 4718800 -44.4746 17.9721 -57.3443 17.9714 124.872 224.811 -57.3448 224.811 -151.397 GPRESSURE: 4718800 54.6921 18.0972 41.95 -39.4331 101.892 164.433 5.78465 202.854 -149.006 PRESSAVG: 4718800 -5.29453 -0.733117 -29.112 -0.733093 8.72652 62.754 -29.112 62.7541 -0.116305 GPRESSAVG: 4718800 -5.71295 0.72501 -28.5911 -1.73936 9.11689 65.2064 -28.8867 61.971 -0.0300754 TIMING: 4718800 CPU: 14921.4, 0.00318085/step Wall: 14921.4, 0.00318085/step, 0.24846 hours remaining, 235.906250 MB of memory in use. ENERGY: 4718800 4055.0062 20655.5275 14476.5344 254.9632 -203200.5368 2568.8545 0.0000 0.0000 52058.1674 -109131.4836 299.1790 -161189.6510 -108781.8968 299.6890 -23.6666 2.5261 761582.8313 1.1052 1.1246 PRESSURE: 4719000 48.3465 161.151 73.765 161.152 -72.7131 107.207 73.7645 107.207 146.133 GPRESSURE: 4719000 58.2375 138.683 60.7699 304.958 19.9792 175.886 12.264 59.2018 131.751 PRESSAVG: 4719000 38.2414 -22.0089 -25.6258 -22.0089 -18.0506 25.1684 -25.6258 25.1683 22.3932 GPRESSAVG: 4719000 37.4104 -21.9352 -26.6952 -21.8713 -18.4293 23.5919 -26.5863 23.4153 23.3395 TIMING: 4719000 CPU: 14922.1, 0.00317051/step Wall: 14922.1, 0.00317051/step, 0.247476 hours remaining, 235.906250 MB of memory in use. ENERGY: 4719000 4005.3397 20604.3913 14517.7111 252.4050 -203014.5135 2517.4855 0.0000 0.0000 51970.7284 -109146.4525 298.6765 -161117.1809 -108782.3782 300.0681 40.5887 69.9891 763467.7138 14.1947 14.1069 PRESSURE: 4719200 -94.2092 45.2389 -190.924 45.2393 7.03692 -37.5921 -190.925 -37.5916 -83.9688 GPRESSURE: 4719200 -90.5473 33.7018 -254.925 -28.2959 85.0296 -3.97076 -177.802 -160.749 -59.3166 PRESSAVG: 4719200 -2.25599 37.7411 -49.7085 37.741 3.28001 -13.2546 -49.7086 -13.2546 -12.866 GPRESSAVG: 4719200 -1.85251 36.1064 -50.4384 37.5076 3.77089 -14.1953 -49.3941 -12.5328 -12.8319 TIMING: 4719200 CPU: 14922.7, 0.0031732/step Wall: 14922.7, 0.0031732/step, 0.247509 hours remaining, 235.906250 MB of memory in use. ENERGY: 4719200 4020.9825 20475.9882 14421.9194 245.9131 -203171.5274 2602.2460 0.0000 0.0000 52068.1359 -109336.3422 299.2363 -161404.4782 -108975.9981 299.2432 -57.0470 -21.6114 762860.9455 -3.9473 -3.6378 PRESSURE: 4719400 -6.67937 261.84 31.2471 261.84 60.8537 -139.897 31.2461 -139.896 -59.4716 GPRESSURE: 4719400 94.9066 219.325 -39.6859 328.747 -19.347 -118.155 59.2175 -128.534 20.2552 PRESSAVG: 4719400 -3.49408 15.7712 -21.1965 15.7712 -34.9065 -22.6593 -21.1966 -22.6593 -5.6848 GPRESSAVG: 4719400 -2.72571 15.801 -20.3056 16.0831 -34.4682 -21.0677 -22.1527 -20.062 -6.70065 TIMING: 4719400 CPU: 14923.4, 0.00320947/step Wall: 14923.4, 0.00320947/step, 0.250161 hours remaining, 235.906250 MB of memory in use. ENERGY: 4719400 3967.9555 20405.5013 14445.4874 245.4710 -203019.9189 2602.4163 0.0000 0.0000 52049.8483 -109303.2390 299.1312 -161353.0874 -108939.6847 299.0330 -1.7658 31.9382 761789.9018 -14.6951 -14.6315 PRESSURE: 4719600 -110.84 -140.693 204.651 -140.694 189.442 -20.6645 204.651 -20.6637 -103.057 GPRESSURE: 4719600 -162.48 -41.4061 189.945 -173.582 229.232 16.5648 177.003 36.3051 -3.52007 PRESSAVG: 4719600 -26.5646 -37.0105 -3.52215 -37.0105 -8.87267 29.4696 -3.52216 29.4696 16.2067 GPRESSAVG: 4719600 -27.6195 -35.643 -4.95562 -35.8084 -9.06319 27.7281 -2.22058 27.7263 17.429 TIMING: 4719600 CPU: 14924, 0.00318257/step Wall: 14924, 0.00318257/step, 0.247886 hours remaining, 235.906250 MB of memory in use. ENERGY: 4719600 3947.2117 20553.8990 14518.0648 239.6534 -203202.6264 2832.6035 0.0000 0.0000 51809.0164 -109302.1777 297.7471 -161111.1940 -108950.7863 298.9886 -8.1517 21.0773 763090.1028 -6.4102 -6.4179 PRESSURE: 4719800 -151.792 -122.288 61.2276 -122.287 473.278 -150.026 61.2263 -150.026 54.7733 GPRESSURE: 4719800 -41.6802 -113.785 73.6709 -104.342 428.638 -115.874 120.193 -2.86176 86.7383 PRESSAVG: 4719800 4.91583 -46.6125 6.94206 -46.6125 0.0828438 -13.8997 6.94202 -13.8998 0.443942 GPRESSAVG: 4719800 5.0502 -48.1887 6.65982 -47.5733 0.447198 -13.1958 6.94829 -12.5978 0.735326 TIMING: 4719800 CPU: 14924.6, 0.00317946/step Wall: 14924.6, 0.00317946/step, 0.247468 hours remaining, 235.906250 MB of memory in use. ENERGY: 4719800 3793.8561 20538.3179 14438.1202 240.3454 -203298.2862 2547.8728 0.0000 0.0000 52090.0997 -109649.6741 299.3625 -161739.7738 -109278.3092 298.5630 125.4198 157.8989 761673.9952 1.8142 2.0776 PRESSURE: 4720000 331.892 11.407 82.6569 11.4075 536.153 -266.666 82.6568 -266.666 -154.279 GPRESSURE: 4720000 369.376 34.4327 68.4651 48.489 603.423 -249.705 5.56641 -228.882 -166.147 PRESSAVG: 4720000 17.1735 -0.931977 12.2649 -0.932033 5.71579 -16.5216 12.2649 -16.5216 -26.8537 GPRESSAVG: 4720000 17.2421 0.897055 13.8809 -1.07505 4.67632 -16.36 11.9416 -16.0114 -26.1354 TIMING: 4720000 CPU: 14925.3, 0.00319234/step Wall: 14925.3, 0.00319234/step, 0.248293 hours remaining, 235.906250 MB of memory 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 3971.3091 20697.5655 14440.3321 262.9760 -203485.3422 2862.5519 0.0000 0.0000 51888.1746 -109362.4330 298.2021 -161250.6076 -109010.3967 298.7074 237.9221 268.8842 763727.8261 -1.3215 -1.4056 PRESSURE: 4720200 -118.286 130.7 -41.8342 130.7 -85.1994 -141.766 -41.834 -141.765 20.6597 GPRESSURE: 4720200 -11.2329 107.096 -162.197 259.537 -24.0251 -106.154 8.81103 -237.173 -66.5961 PRESSAVG: 4720200 8.57679 36.8163 38.2185 36.8163 0.388154 -40.7273 38.2185 -40.7273 24.4205 GPRESSAVG: 4720200 8.86092 34.8956 38.5509 39.3702 1.10612 -40.1694 38.4656 -43.1912 23.472 TIMING: 4720200 CPU: 14925.9, 0.00318428/step Wall: 14925.9, 0.00318428/step, 0.247489 hours remaining, 235.906250 MB of memory in use. ENERGY: 4720200 3971.1051 20543.8357 14517.3686 249.3949 -203253.1584 2627.7884 0.0000 0.0000 52049.2849 -109294.3808 299.1280 -161343.6656 -108928.7599 299.0811 -60.9420 -33.9514 762501.5262 11.1285 11.1463 LDB: ============= START OF LOAD BALANCING ============== 14938.4 LDB: ============== END OF LOAD BALANCING =============== 14938.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14938.4 LDB: ============= START OF LOAD BALANCING ============== 14938.8 LDB: Largest compute 7060 load 0.036417 is 18.6% of average load 0.195457 LDB: Average compute 0.004402 is 2.3% of average load 0.195457 LDB: TIME 14938.8 LOAD: AVG 0.195457 MAX 0.21622 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.18 MB LDB: TIME 14938.8 LOAD: AVG 0.195457 MAX 0.21622 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.184 MB LDB: TIME 14938.8 LOAD: AVG 0.195457 MAX 0.21622 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.184 MB LDB: ============== END OF LOAD BALANCING =============== 14938.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14938.8 PRESSURE: 4720400 -391.641 -137.871 -45.0067 -137.871 -150.763 -93.1725 -45.0059 -93.1717 -70.1731 GPRESSURE: 4720400 -340.61 -140.867 40.4858 -145.642 -94.9003 -44.7201 -45.7067 -31.2534 -88.6596 PRESSAVG: 4720400 26.4983 0.842716 45.0029 0.842677 -39.1426 4.59977 45.0029 4.59979 9.11362 GPRESSAVG: 4720400 27.1992 0.477241 43.25 -0.480292 -40.1762 3.90589 44.0662 6.048 9.46552 TIMING: 4720400 CPU: 14926.6, 0.00326545/step Wall: 14926.6, 0.00326545/step, 0.253617 hours remaining, 237.761719 MB of memory in use. ENERGY: 4720400 4016.6040 20393.1340 14508.9894 245.1279 -203843.2655 2856.9342 0.0000 0.0000 52098.6989 -109723.7770 299.4119 -161822.4760 -109351.2419 298.7654 -204.1924 -174.7234 761063.5953 -1.1769 -1.1705 PRESSURE: 4720600 -333.529 50.5684 -185.945 50.5687 -140.85 202.461 -185.947 202.461 125.854 GPRESSURE: 4720600 -341.415 -92.4159 -322.959 11.4043 -53.2973 206.028 -149.09 133.878 125.321 PRESSAVG: 4720600 -20.3779 -4.3193 4.45412 -4.31929 15.8247 -7.87232 4.45412 -7.87224 -9.19567 GPRESSAVG: 4720600 -21.1273 -4.59017 5.14853 -6.05769 16.5938 -7.557 4.21583 -8.11425 -9.65193 TIMING: 4720600 CPU: 14927.2, 0.00318778/step Wall: 14927.2, 0.00318778/step, 0.247407 hours remaining, 237.832031 MB of memory in use. ENERGY: 4720600 3952.6556 20351.8021 14362.6053 249.9120 -203261.8997 2714.4864 0.0000 0.0000 52086.7292 -109543.7093 299.3431 -161630.4384 -109172.8626 298.5438 -116.1751 -89.7973 762582.5688 -4.5830 -4.7285 PRESSURE: 4720800 -87.4185 77.8112 304.746 77.8121 147.026 36.8283 304.747 36.8279 563.846 GPRESSURE: 4720800 26.4965 198.262 229.925 18.699 136.12 39.5301 162.287 -54.7028 536.358 PRESSAVG: 4720800 -33.9361 -25.2249 10.4823 -25.2249 26.9083 21.9922 10.4823 21.9922 -25.8176 GPRESSAVG: 4720800 -35.0313 -23.6045 10.6923 -25.7331 27.4486 21.1685 11.9803 22.2075 -25.5583 TIMING: 4720800 CPU: 14927.8, 0.00319117/step Wall: 14927.8, 0.00319117/step, 0.247493 hours remaining, 238.074219 MB of memory in use. ENERGY: 4720800 3913.2671 20519.3833 14515.9718 254.1815 -203654.3178 2744.9061 0.0000 0.0000 52078.3384 -109628.2695 299.2949 -161706.6079 -109257.5755 298.5924 207.8178 232.9916 761324.8372 -10.9485 -11.0470 PRESSURE: 4721000 6.68853 -103.595 -59.3333 -103.596 10.4407 -203.148 -59.3338 -203.148 82.0199 GPRESSURE: 4721000 73.57 -88.8601 -140.025 -0.852936 42.6833 -100.427 33.9915 -109.206 78.4667 PRESSAVG: 4721000 -36.242 27.0481 -31.6507 27.048 -13.3578 14.484 -31.6506 14.484 10.0514 GPRESSAVG: 4721000 -34.7882 28.6775 -32.2475 29.3875 -14.9984 15.3562 -31.1466 16.8444 10.4599 TIMING: 4721000 CPU: 14928.5, 0.00322035/step Wall: 14928.5, 0.00322035/step, 0.249577 hours remaining, 238.144531 MB of memory in use. ENERGY: 4721000 4015.0974 20606.7407 14467.4944 232.6070 -202965.8101 2606.8451 0.0000 0.0000 51547.3532 -109489.6723 296.2433 -161037.0255 -109140.2948 299.0039 33.0497 64.9066 761958.9457 -13.1828 -13.1089 PRESSURE: 4721200 -228.686 -14.5219 -71.6464 -14.5214 -294.994 168.123 -71.647 168.123 -95.7328 GPRESSURE: 4721200 -129.066 150.163 -43.0445 -137.078 -269.963 78.3713 48.6309 -3.9614 -131.313 PRESSAVG: 4721200 21.9918 16.5193 8.80366 16.5193 -33.6275 44.8688 8.80363 44.8688 -5.52843 GPRESSAVG: 4721200 21.5276 14.8024 9.6439 14.346 -32.5507 44.6477 7.64656 44.0571 -6.31591 TIMING: 4721200 CPU: 14929.1, 0.0031897/step Wall: 14929.1, 0.0031897/step, 0.247024 hours remaining, 238.214844 MB of memory in use. ENERGY: 4721200 4083.6443 20555.0875 14476.5567 235.4126 -203226.2466 2513.2642 0.0000 0.0000 51959.4780 -109402.8033 298.6118 -161362.2813 -109039.5568 299.0202 -206.4710 -176.7806 762346.4490 -5.7214 -5.7797 PRESSURE: 4721400 -217.233 -382.569 -92.7292 -382.569 175.332 -61.3867 -92.729 -61.387 -157.247 GPRESSURE: 4721400 -135.131 -304.225 -132.104 -327.437 177.313 -70.5073 -58.4035 -138.165 -167.131 PRESSAVG: 4721400 -36.3479 -85.2928 -19.7707 -85.2927 -29.1773 6.99481 -19.7708 6.99486 -27.3926 GPRESSAVG: 4721400 -36.4722 -85.0219 -21.3501 -85.2959 -29.2992 8.03647 -19.5886 3.65274 -26.975 TIMING: 4721400 CPU: 14929.7, 0.0031646/step Wall: 14929.7, 0.0031646/step, 0.244905 hours remaining, 238.214844 MB of memory in use. ENERGY: 4721400 4037.2740 20644.2109 14490.5807 254.5186 -203607.8043 2801.3995 0.0000 0.0000 51900.7267 -109479.0939 298.2742 -161379.8206 -109118.1750 298.8867 -66.3831 -41.6499 763187.0110 -30.9726 -30.9155 PRESSURE: 4721600 232.594 12.1919 -304.66 12.1923 -127.044 108.161 -304.659 108.161 -69.8701 GPRESSURE: 4721600 289.073 -14.7609 -340.807 41.1342 -87.5955 103.063 -260.865 71.3553 -60.8589 PRESSAVG: 4721600 -7.85953 -33.9154 -70.1972 -33.9154 5.58333 19.0337 -70.1972 19.0338 9.92888 GPRESSAVG: 4721600 -7.66305 -33.2581 -68.686 -34.4874 5.64962 17.2922 -70.19 21.6756 9.25615 TIMING: 4721600 CPU: 14930.4, 0.0031666/step Wall: 14930.4, 0.0031666/step, 0.244883 hours remaining, 238.214844 MB of memory in use. ENERGY: 4721600 3994.8204 20434.4298 14543.9967 282.4447 -203709.0656 2845.2133 0.0000 0.0000 52157.1289 -109451.0317 299.7477 -161608.1606 -109082.8367 299.3193 11.8932 46.8729 761508.6328 2.5509 2.4142 PRESSURE: 4721800 17.4951 -284.041 -120.149 -284.041 47.4958 -0.257484 -120.149 -0.258033 -249.047 GPRESSURE: 4721800 77.6708 -264.937 -137.121 -337.041 66.524 12.5913 -109.32 -36.6943 -249.678 PRESSAVG: 4721800 9.03412 -37.4778 -88.225 -37.4779 -20.4342 2.28764 -88.225 2.28755 2.07151 GPRESSAVG: 4721800 9.40593 -38.7935 -87.7942 -38.35 -20.0515 4.23278 -91.4915 4.24524 1.59568 TIMING: 4721800 CPU: 14931, 0.00316142/step Wall: 14931, 0.00316142/step, 0.244308 hours remaining, 238.214844 MB of memory in use. ENERGY: 4721800 3949.3487 20523.8903 14551.5197 243.6394 -203180.3270 2309.6398 0.0000 0.0000 51999.8379 -109602.4511 298.8438 -161602.2890 -109247.5399 298.7697 -61.3520 -35.1612 761773.9004 -3.1095 -3.0166 PRESSURE: 4722000 60.6309 113.957 12.7845 113.957 43.5404 109.696 12.7843 109.697 -149.607 GPRESSURE: 4722000 -23.5985 88.7739 27.2782 110.292 175.688 10.8048 -14.3003 77.9987 -123.27 PRESSAVG: 4722000 90.757 -48.3916 -21.3343 -48.3916 -69.4259 4.53467 -21.3343 4.53463 9.28084 GPRESSAVG: 4722000 90.342 -48.5201 -21.7179 -45.0308 -69.4751 2.68871 -17.9039 1.25859 9.63024 TIMING: 4722000 CPU: 14931.6, 0.00316662/step Wall: 14931.6, 0.00316662/step, 0.244533 hours remaining, 238.214844 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: 4722000 3994.7502 20545.3916 14440.2418 234.9845 -203049.8657 2503.1334 0.0000 0.0000 51818.8520 -109512.5121 297.8037 -161331.3641 -109145.4703 298.8829 -15.1451 9.6067 761847.7359 10.2040 10.1657 PRESSURE: 4722200 197.079 -107.003 77.3748 -107.004 -57.2786 209.919 77.3745 209.919 381.238 GPRESSURE: 4722200 280.626 -94.3817 98.3427 -117.401 -49.7295 197.185 68.2584 368.061 371.011 PRESSAVG: 4722200 44.2775 -35.6609 -26.6506 -35.6609 -47.6464 32.6441 -26.6506 32.644 -11.9127 GPRESSAVG: 4722200 44.9237 -36.001 -27.2282 -37.3109 -48.489 34.6636 -28.3477 34.1144 -11.5192 TIMING: 4722200 CPU: 14932.3, 0.00317033/step Wall: 14932.3, 0.00317033/step, 0.244644 hours remaining, 238.214844 MB of memory in use. ENERGY: 4722200 3973.5921 20587.5818 14417.0385 266.2089 -203431.9722 2712.0284 0.0000 0.0000 52140.0348 -109335.4877 299.6495 -161475.5225 -108971.6650 299.2532 173.6794 200.6359 762225.6537 -5.0939 -5.0282 PRESSURE: 4722400 -218.377 -103.487 -106.827 -103.488 -204.617 99.4504 -106.827 99.4513 -482.592 GPRESSURE: 4722400 -175.32 -175.979 -31.4725 -85.3198 -150.198 78.7017 -20.6664 219.046 -478.239 PRESSAVG: 4722400 -16.6484 -58.0295 -41.3403 -58.0296 -31.4656 -9.739 -41.3403 -9.73905 1.12729 GPRESSAVG: 4722400 -16.4243 -56.4766 -43.1688 -56.8294 -31.1177 -8.61206 -39.3052 -11.4867 0.709792 TIMING: 4722400 CPU: 14932.9, 0.0031754/step Wall: 14932.9, 0.0031754/step, 0.244858 hours remaining, 238.214844 MB of memory in use. ENERGY: 4722400 4027.7356 20475.5115 14512.2720 254.0134 -202800.3095 2101.5957 0.0000 0.0000 51958.4679 -109470.7134 298.6060 -161429.1813 -109100.4842 299.6939 -301.8619 -267.9189 763157.0711 -15.6623 -15.6107 PRESSURE: 4722600 44.1249 98.4143 214.651 98.4136 -179.563 59.4067 214.651 59.4073 -184.987 GPRESSURE: 4722600 63.3538 80.2431 154.001 147.344 -165.536 -44.8912 301.146 -81.1667 -129.332 PRESSAVG: 4722600 54.297 -40.2037 -4.84992 -40.2037 24.3063 3.36135 -4.84993 3.36137 28.2912 GPRESSAVG: 4722600 54.0989 -41.3366 -3.08195 -40.7659 24.6273 0.257833 -4.66523 3.28483 28.0613 TIMING: 4722600 CPU: 14933.5, 0.00317163/step Wall: 14933.5, 0.00317163/step, 0.244392 hours remaining, 238.214844 MB of memory in use. ENERGY: 4722600 3950.3419 20498.4853 14507.2191 258.7487 -203128.7273 2323.2767 0.0000 0.0000 52214.5184 -109376.1371 300.0776 -161590.6555 -109020.0639 299.4334 -106.8083 -77.1715 759902.4757 35.6315 35.5958 PRESSURE: 4722800 24.6617 -215.503 -5.4662 -215.503 -31.123 168.264 -5.4664 168.265 291.245 GPRESSURE: 4722800 96.9145 -159.975 -119.01 -191.165 -6.58928 149.922 -19.6519 157.159 272.322 PRESSAVG: 4722800 42.4378 -8.14842 -32.0121 -8.14846 -18.2786 3.907 -32.0121 3.90704 -8.27149 GPRESSAVG: 4722800 43.1229 -8.60392 -32.0387 -9.35391 -18.5686 5.37084 -33.3362 5.10601 -9.1402 TIMING: 4722800 CPU: 14934.2, 0.00316248/step Wall: 14934.2, 0.00316248/step, 0.243511 hours remaining, 238.214844 MB of memory in use. ENERGY: 4722800 3929.1136 20537.9379 14490.0548 258.4643 -202838.0498 2351.0331 0.0000 0.0000 51984.6099 -109286.8362 298.7563 -161271.4461 -108931.5211 299.8100 94.9279 120.8823 761210.2844 5.2959 5.1380 PRESSURE: 4723000 -256.136 -84.662 -37.0389 -84.6605 -213.013 -224.425 -37.0386 -224.426 -370.351 GPRESSURE: 4723000 -293.768 -40.7142 11.3421 -117.359 -182.814 -234.457 -131.98 -78.5412 -297.562 PRESSAVG: 4723000 20.9955 -51.8272 12.191 -51.8272 -36.5629 -11.0122 12.191 -11.0122 5.08972 GPRESSAVG: 4723000 19.7339 -52.3642 14.4663 -50.4716 -36.7652 -10.4695 10.2887 -10.7582 6.18766 TIMING: 4723000 CPU: 14934.8, 0.00316701/step Wall: 14934.8, 0.00316701/step, 0.243684 hours remaining, 238.214844 MB of memory in use. ENERGY: 4723000 4052.5569 20372.1318 14530.8364 242.3765 -203155.6594 2546.9825 0.0000 0.0000 51920.4190 -109490.3563 298.3874 -161410.7753 -109120.6415 299.2080 -279.8333 -258.0479 762288.1211 -3.4926 -3.6146 PRESSURE: 4723200 182.497 -173.81 -5.83299 -173.811 210.345 -5.06308 -5.83279 -5.06221 -92.9548 GPRESSURE: 4723200 233.76 -128.458 -100.743 -158.201 264.971 46.4287 205.273 165.666 -109 PRESSAVG: 4723200 23.0323 -86.0777 -48.3903 -86.0777 41.6851 -12.0483 -48.3902 -12.0484 -0.347758 GPRESSAVG: 4723200 23.7072 -83.8324 -49.7909 -87.2387 41.53 -12.2322 -45.4754 -13.0669 -0.67176 TIMING: 4723200 CPU: 14935.4, 0.00317755/step Wall: 14935.4, 0.00317755/step, 0.244319 hours remaining, 238.214844 MB of memory in use. ENERGY: 4723200 4001.1880 20571.8768 14462.9507 268.0711 -203285.9545 2593.9864 0.0000 0.0000 52041.9072 -109345.9742 299.0856 -161387.8814 -108978.8682 298.8625 99.9626 129.9103 761089.6072 21.4566 21.5218 PRESSURE: 4723400 -121.212 -201.678 -77.4214 -201.678 -101.121 -90.5764 -77.4218 -90.5768 229.419 GPRESSURE: 4723400 -77.7996 -292.325 -9.14185 -295.465 -79.2054 -91.9032 -6.20518 -79.423 247.971 PRESSAVG: 4723400 9.19744 4.25836 2.69619 4.25838 -36.6538 18.9027 2.69619 18.9027 3.03527 GPRESSAVG: 4723400 9.04345 1.45369 2.55678 4.87664 -36.3179 17.5687 1.58681 19.9135 2.98657 TIMING: 4723400 CPU: 14936.1, 0.00316608/step Wall: 14936.1, 0.00316608/step, 0.24326 hours remaining, 238.214844 MB of memory in use. ENERGY: 4723400 3872.3841 20451.6928 14470.6828 222.6305 -203048.2137 2651.7232 0.0000 0.0000 52119.9896 -109259.1108 299.5343 -161379.1003 -108897.0426 299.0898 2.3617 30.3218 763416.1591 -8.1404 -8.0960 PRESSURE: 4723600 -258.726 44.7834 -15.4598 44.7841 -275.754 11.3433 -15.4594 11.3436 122.101 GPRESSURE: 4723600 -218.768 -31.5182 94.0368 -7.62975 -201.151 51.5814 -117.245 -59.7659 126.981 PRESSAVG: 4723600 16.2793 -16.4141 39.7255 -16.414 -24.0389 -4.29654 39.7255 -4.29648 7.26166 GPRESSAVG: 4723600 15.6605 -15.7008 39.5653 -16.2036 -23.7843 -5.81889 41.9009 -4.54918 7.49963 TIMING: 4723600 CPU: 14936.7, 0.00316191/step Wall: 14936.7, 0.00316191/step, 0.242765 hours remaining, 238.214844 MB of memory in use. ENERGY: 4723600 4042.8552 20553.7198 14443.6264 246.6098 -203178.4333 2607.8351 0.0000 0.0000 52029.5868 -109254.2002 299.0148 -161283.7869 -108898.1122 299.3122 -137.4596 -97.6463 762199.6087 -0.1660 -0.2081 PRESSURE: 4723800 146.135 139.488 4.05384 139.488 -452.608 -200.416 4.05375 -200.417 179.196 GPRESSURE: 4723800 221.275 71.8353 27.6101 179.032 -361.759 -140.193 5.3286 -236.266 109.772 PRESSAVG: 4723800 -14.2824 0.982497 33.4123 0.982472 10.4982 -1.75786 33.4123 -1.75795 -3.77371 GPRESSAVG: 4723800 -13.5019 1.46593 32.6412 1.59794 9.39775 -0.024878 33.3392 -2.93544 -3.27948 TIMING: 4723800 CPU: 14937.3, 0.00315264/step Wall: 14937.3, 0.00315264/step, 0.241878 hours remaining, 238.214844 MB of memory in use. ENERGY: 4723800 4014.1583 20426.8694 14472.0866 239.4429 -202904.7016 2286.1810 0.0000 0.0000 52159.8430 -109306.1204 299.7633 -161465.9634 -108941.5939 299.6156 -42.4256 -10.2372 761510.0204 -2.5193 -2.4612 PRESSURE: 4724000 299.113 -127.053 75.1475 -127.053 -21.0208 183.962 75.1473 183.962 390.089 GPRESSURE: 4724000 318.528 -178.766 129.655 -177.207 -5.17265 226.494 -72.3034 27.9497 451.381 PRESSAVG: 4724000 -20.5554 24.0015 11.2345 24.0014 -28.7151 -25.0154 11.2345 -25.0154 11.6618 GPRESSAVG: 4724000 -20.5766 23.8451 10.2038 22.3386 -27.2033 -23.311 11.9038 -27.4751 10.4673 TIMING: 4724000 CPU: 14938, 0.00315396/step Wall: 14938, 0.00315396/step, 0.241804 hours remaining, 238.214844 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: 4724000 3947.4122 20432.3764 14466.5326 247.1746 -203430.3427 2843.6082 0.0000 0.0000 51982.9911 -109510.2477 298.7470 -161493.2388 -109156.0980 298.8219 222.7271 254.9123 761259.1001 -12.5362 -12.4375 PRESSURE: 4724200 -69.6095 -104.187 129.742 -104.187 157.163 -127.722 129.742 -127.722 -304.178 GPRESSURE: 4724200 -35.5886 -56.9056 -10.0221 -119.74 172.757 -158.745 154.146 -26.7403 -290.357 PRESSAVG: 4724200 64.9112 -0.214533 51.1641 -0.214511 -50.0085 12.0611 51.1641 12.0611 -7.56442 GPRESSAVG: 4724200 64.6864 -0.291055 53.4425 -0.553231 -50.3966 10.581 49.0409 13.8728 -6.96157 TIMING: 4724200 CPU: 14938.6, 0.00316953/step Wall: 14938.6, 0.00316953/step, 0.242821 hours remaining, 238.214844 MB of memory in use. ENERGY: 4724200 3964.7079 20588.0383 14491.9775 236.3133 -203456.9326 2526.5284 0.0000 0.0000 51967.7397 -109681.6275 298.6593 -161649.3672 -109325.1796 299.1860 -72.2079 -51.0628 761509.4260 2.4461 2.4427 LDB: ============= START OF LOAD BALANCING ============== 14951.1 LDB: ============== END OF LOAD BALANCING =============== 14951.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14951.1 LDB: ============= START OF LOAD BALANCING ============== 14951.5 LDB: Largest compute 7060 load 0.036105 is 18.5% of average load 0.195683 LDB: Average compute 0.004395 is 2.2% of average load 0.195683 LDB: TIME 14951.5 LOAD: AVG 0.195683 MAX 0.217406 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.656 MB LDB: TIME 14951.5 LOAD: AVG 0.195683 MAX 0.217406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.82 MB LDB: TIME 14951.5 LOAD: AVG 0.195683 MAX 0.217406 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.82 MB LDB: ============== END OF LOAD BALANCING =============== 14951.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14951.5 PRESSURE: 4724400 304.717 163.332 -325.846 163.332 -133.149 -11.617 -325.846 -11.6169 -84.1371 GPRESSURE: 4724400 245.582 173.128 -313.599 136.873 -31.1029 11.0411 -185.575 180.397 -52.3723 PRESSAVG: 4724400 -32.7246 0.330414 -15.0027 0.330375 9.95821 -0.71012 -15.0027 -0.710123 -3.91685 GPRESSAVG: 4724400 -32.1036 0.707846 -14.7129 0.826404 10.4555 -0.66635 -15.3431 0.830083 -5.25169 TIMING: 4724400 CPU: 14939.3, 0.00321234/step Wall: 14939.3, 0.00321234/step, 0.245923 hours remaining, 234.093750 MB of memory in use. ENERGY: 4724400 3964.2336 20557.0222 14466.5865 231.7696 -203790.3117 2877.1004 0.0000 0.0000 52216.1126 -109477.4868 300.0867 -161693.5993 -109122.7880 299.7225 29.1437 54.0355 761327.5295 -8.8944 -8.9666 PRESSURE: 4724600 293.845 -212.822 61.897 -212.823 45.6517 23.5239 61.8968 23.5234 19.8232 GPRESSURE: 4724600 305.245 -180.103 -10.91 -167.569 52.6554 -27.1026 31.9053 58.5424 102.689 PRESSAVG: 4724600 -6.70466 -37.0074 -15.441 -37.0074 41.6678 30.459 -15.441 30.459 -12.3051 GPRESSAVG: 4724600 -6.91741 -38.3844 -16.5887 -37.2422 40.4629 28.8059 -16.5031 31.7632 -10.7464 TIMING: 4724600 CPU: 14939.9, 0.00314607/step Wall: 14939.9, 0.00314607/step, 0.240675 hours remaining, 234.371094 MB of memory in use. ENERGY: 4724600 3973.5663 20413.2697 14595.2323 242.4323 -203389.4549 2493.8276 0.0000 0.0000 52313.7214 -109357.4053 300.6477 -161671.1267 -108991.0625 299.8527 119.7732 153.5300 762115.7419 7.5527 7.5997 PRESSURE: 4724800 317.625 47.9657 111.78 47.9659 155.266 179.377 111.779 179.378 172.803 GPRESSURE: 4724800 386.027 100.143 129.21 31.4665 136.826 197.139 90.656 49.6728 188.051 PRESSAVG: 4724800 -0.31947 -26.1665 1.3935 -26.1664 -5.66236 -42.291 1.39358 -42.291 -20.3059 GPRESSAVG: 4724800 -1.18055 -24.3284 0.99844 -25.5038 -4.95258 -40.524 2.64384 -44.8018 -19.6757 TIMING: 4724800 CPU: 14940.5, 0.00316232/step Wall: 14940.5, 0.00316232/step, 0.241742 hours remaining, 234.371094 MB of memory in use. ENERGY: 4724800 3935.1413 20486.1591 14481.9811 254.7739 -203325.6960 2616.4828 0.0000 0.0000 52247.8742 -109303.2836 300.2693 -161551.1578 -108939.1460 299.9264 215.2311 236.9681 760606.9855 -8.7626 -8.6030 PRESSURE: 4725000 -251.944 99.8179 169.388 99.8184 -354.095 71.7818 169.388 71.7816 77.7958 GPRESSURE: 4725000 -182.902 107.29 221.552 130.649 -316.254 95.1845 70.4088 62.5724 73.0758 PRESSAVG: 4725000 26.2409 -5.98263 25.7612 -5.98264 -3.63177 -1.21943 25.7612 -1.21948 13.8989 GPRESSAVG: 4725000 27.4545 -7.65895 25.7825 -5.44144 -2.55617 -1.72266 25.0818 -0.690507 12.4857 TIMING: 4725000 CPU: 14941.1, 0.00316018/step Wall: 14941.1, 0.00316018/step, 0.241402 hours remaining, 234.371094 MB of memory in use. ENERGY: 4725000 4003.4256 20506.5874 14459.0827 248.9807 -203299.6046 2650.8726 0.0000 0.0000 52250.1956 -109180.4600 300.2826 -161430.6556 -108822.7211 300.1257 -176.0808 -142.0268 761241.0196 12.1694 12.4614 PRESSURE: 4725200 -181.862 -248.298 247.521 -248.299 43.8513 -191.01 247.521 -191.012 -15.9244 GPRESSURE: 4725200 -128.538 -264.758 153.709 -108.42 3.30365 -177.932 185.138 -210.388 43.8922 PRESSAVG: 4725200 4.63376 9.98678 1.21329 9.98675 11.2513 18.6944 1.21328 18.6944 2.47494 GPRESSAVG: 4725200 4.47572 12.2201 1.63159 10.4724 11.2257 18.0466 1.16621 19.8988 2.62133 TIMING: 4725200 CPU: 14941.8, 0.00319037/step Wall: 14941.8, 0.00319037/step, 0.243532 hours remaining, 234.371094 MB of memory in use. ENERGY: 4725200 3964.0700 20691.1523 14459.7826 225.8307 -203136.7777 2612.8906 0.0000 0.0000 51942.7316 -109240.3199 298.5156 -161183.0515 -108871.4966 299.8676 -51.3117 -27.1141 761933.8045 6.1200 6.1076 PRESSURE: 4725400 -394.12 183.478 -88.5524 183.478 -181.293 -69.4678 -88.5533 -69.4688 -325.525 GPRESSURE: 4725400 -236.861 8.6028 -39.4066 109.562 -220.994 -48.554 -81.805 -183.95 -344.479 PRESSAVG: 4725400 -4.27407 -6.58561 -10.3636 -6.58567 15.3797 12.3295 -10.3636 12.3294 1.85829 GPRESSAVG: 4725400 -3.63999 -9.3847 -11.7507 -7.94602 14.5236 11.4681 -10.2359 11.0271 2.55653 TIMING: 4725400 CPU: 14942.4, 0.00319389/step Wall: 14942.4, 0.00319389/step, 0.243623 hours remaining, 234.371094 MB of memory in use. ENERGY: 4725400 4018.1803 20486.5864 14449.2276 234.4205 -202786.2017 2336.7553 0.0000 0.0000 52047.0038 -109214.0279 299.1148 -161261.0317 -108845.0359 299.5708 -300.3126 -267.4447 761351.0738 4.3213 4.4801 PRESSURE: 4725600 -115.148 -30.3377 -6.03639 -30.3373 152.592 -91.0163 -6.03575 -91.0174 21.2366 GPRESSURE: 4725600 -42.2806 -21.1512 -2.50633 -71.1925 125.867 -26.4367 68.3659 -72.4439 72.4933 PRESSAVG: 4725600 -32.4401 16.7926 50.604 16.7926 -4.47943 -16.1913 50.604 -16.1914 1.89208 GPRESSAVG: 4725600 -31.5896 20.2845 51.4234 16.0996 -3.90241 -14.0618 51.5552 -16.2457 0.742691 TIMING: 4725600 CPU: 14943.1, 0.00318559/step Wall: 14943.1, 0.00318559/step, 0.242813 hours remaining, 234.371094 MB of memory in use. ENERGY: 4725600 3916.5180 20488.6256 14518.5633 231.1049 -203474.7216 2958.7684 0.0000 0.0000 52185.1124 -109176.0290 299.9086 -161361.1413 -108814.8861 299.7323 19.5602 52.0265 762574.7853 -11.6758 -11.5831 PRESSURE: 4725800 233.328 -58.1309 -151.047 -58.1306 242.452 80.2765 -151.046 80.2769 146.148 GPRESSURE: 4725800 245.225 -149.843 -155.305 -8.07902 258.35 91.8219 36.7546 36.8561 214.921 PRESSAVG: 4725800 -32.3582 2.99436 25.9179 2.99434 5.95366 26.7506 25.918 26.7505 -26.6018 GPRESSAVG: 4725800 -32.2828 3.07248 26.954 4.29815 4.43279 27.4391 24.874 27.268 -25.2481 TIMING: 4725800 CPU: 14943.7, 0.00317708/step Wall: 14943.7, 0.00317708/step, 0.241988 hours remaining, 234.371094 MB of memory in use. ENERGY: 4725800 3956.3573 20533.4705 14537.2136 241.1983 -203430.8062 2852.1589 0.0000 0.0000 52299.7124 -109010.6954 300.5672 -161310.4078 -108646.9289 299.6775 207.3093 239.4986 762884.4667 -17.6688 -17.6994 PRESSURE: 4726000 -246.088 -36.8404 64.4228 -36.84 -127.437 64.9222 64.423 64.9225 145.211 GPRESSURE: 4726000 -338.095 32.2242 176.957 -11.1073 86.5712 12.5475 54.0582 -26.6139 102.359 PRESSAVG: 4726000 -47.4723 10.2521 25.6992 10.2521 12.718 4.80352 25.6992 4.80344 -4.77095 GPRESSAVG: 4726000 -49.759 10.029 24.736 9.86457 15.7586 4.47665 26.2961 4.95364 -5.09979 TIMING: 4726000 CPU: 14944.3, 0.00317669/step Wall: 14944.3, 0.00317669/step, 0.241781 hours remaining, 234.371094 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: 4726000 3930.0021 20608.3401 14461.4758 260.8662 -202708.3924 2272.8559 0.0000 0.0000 52006.2477 -109168.6045 298.8806 -161174.8522 -108807.0452 299.4108 -76.1047 -49.7217 763944.9040 -13.1751 -13.0334 PRESSURE: 4726200 338.903 -22.3232 23.6286 -22.3238 276.696 -181.666 23.6269 -181.666 94.6576 GPRESSURE: 4726200 488.798 43.6414 -17.3117 -23.928 243.893 -203.662 107.106 -135.694 50.8238 PRESSAVG: 4726200 -8.71146 -22.9954 -6.42952 -22.9954 17.4326 -43.9222 -6.42949 -43.9222 5.43698 GPRESSAVG: 4726200 -7.88666 -24.5998 -7.20208 -22.4624 17.3781 -44.6275 -4.21681 -44.5037 4.71429 TIMING: 4726200 CPU: 14945, 0.00316102/step Wall: 14945, 0.00316102/step, 0.240413 hours remaining, 234.371094 MB of memory in use. ENERGY: 4726200 3920.9835 20499.6071 14426.2607 258.1008 -203223.9658 2491.0308 0.0000 0.0000 52195.0796 -109432.9032 299.9658 -161627.9828 -109065.2597 299.3160 236.7522 261.1713 762054.2341 4.7194 4.7352 PRESSURE: 4726400 -34.9231 -34.1413 -42.3475 -34.1406 -650.626 -198.088 -42.3467 -198.088 -181.502 GPRESSURE: 4726400 -63.525 -46.0382 40.5204 24.8356 -610.549 -201.586 -35.3851 -153.912 -118.275 PRESSAVG: 4726400 85.3633 -50.7998 -11.0356 -50.7998 -50.2238 -51.0132 -11.0356 -51.0132 -7.69866 GPRESSAVG: 4726400 84.4543 -51.0156 -9.1896 -50.5747 -50.9439 -50.9018 -14.3255 -50.1959 -5.98537 TIMING: 4726400 CPU: 14945.6, 0.00315912/step Wall: 14945.6, 0.00315912/step, 0.240093 hours remaining, 234.371094 MB of memory in use. ENERGY: 4726400 3936.1698 20475.0409 14479.5806 241.9185 -203205.6423 2460.2882 0.0000 0.0000 52152.4585 -109460.1858 299.7209 -161612.6443 -109092.1589 299.0724 -289.0170 -264.1165 763084.5438 9.1470 9.1750 PRESSURE: 4726600 -240.339 98.4054 -421.176 98.4053 176.983 124.629 -421.177 124.629 -9.08043 GPRESSURE: 4726600 -254.631 51.221 -433.551 25.2534 213.766 52.5978 -341.23 136.03 65.6446 PRESSAVG: 4726600 -8.23255 -21.9702 -36.5132 -21.9702 -19.7745 0.478227 -36.5132 0.478285 -8.84192 GPRESSAVG: 4726600 -6.44706 -22.5625 -38.0645 -20.8912 -20.7328 1.54786 -34.2527 0.903836 -9.66181 TIMING: 4726600 CPU: 14946.2, 0.00318174/step Wall: 14946.2, 0.00318174/step, 0.241635 hours remaining, 234.371094 MB of memory in use. ENERGY: 4726600 4073.2572 20523.9405 14438.4221 260.7466 -203587.8052 2922.1050 0.0000 0.0000 51925.5497 -109443.7840 298.4168 -161369.3337 -109083.1638 299.3645 -24.1456 8.2600 762303.6639 -12.2830 -12.2806 PRESSURE: 4726800 -282.773 -43.001 -16.6219 -43.0009 -365.772 -180.318 -16.6209 -180.319 -8.96249 GPRESSURE: 4726800 -249.917 -37.3401 -151.281 16.5512 -236.787 -200.776 7.85811 1.27854 -55.6132 PRESSAVG: 4726800 5.29692 52.1451 -6.89812 52.1451 -12.5749 -12.2057 -6.89811 -12.2058 -5.70557 GPRESSAVG: 4726800 3.94267 52.1639 -6.14261 53.344 -10.8103 -12.4192 -8.15902 -12.2424 -5.80854 TIMING: 4726800 CPU: 14946.9, 0.00316725/step Wall: 14946.9, 0.00316725/step, 0.240359 hours remaining, 234.371094 MB of memory in use. ENERGY: 4726800 4008.5390 20559.9147 14481.8027 275.3455 -203297.7083 2455.4851 0.0000 0.0000 51921.3339 -109595.2874 298.3926 -161516.6213 -109238.9739 298.8683 -219.1691 -180.7724 761875.4011 -4.3279 -4.2254 PRESSURE: 4727000 205.812 -116.206 248.717 -116.205 166.38 -101.444 248.717 -101.444 -37.8308 GPRESSURE: 4727000 266.232 -152.743 193.127 -41.5912 165.162 -96.3674 144.953 -221.675 -13.115 PRESSAVG: 4727000 65.5555 -31.2748 19.3695 -31.2747 -70.4133 -14.0826 19.3696 -14.0825 1.21325 GPRESSAVG: 4727000 67.3821 -31.1357 19.6426 -32.9043 -70.8276 -14.7073 17.449 -16.632 -0.114075 TIMING: 4727000 CPU: 14947.5, 0.00317985/step Wall: 14947.5, 0.00317985/step, 0.241139 hours remaining, 234.371094 MB of memory in use. ENERGY: 4727000 3953.0336 20559.1431 14493.4451 247.7361 -203509.1970 2444.9005 0.0000 0.0000 52042.3838 -109768.5546 299.0883 -161810.9385 -109401.1440 298.4390 111.4536 139.4266 759668.2562 -1.2148 -1.1865 PRESSURE: 4727200 -239.432 -154.21 -201.565 -154.209 21.1812 -184.42 -201.566 -184.42 -169.48 GPRESSURE: 4727200 -96.157 -98.8223 -261.096 -154.33 -83.1662 -187.718 -86.7209 -142.097 -150.685 PRESSAVG: 4727200 9.9125 -12.3142 29.3616 -12.3141 36.2897 -29.6887 29.3616 -29.6887 15.3746 GPRESSAVG: 4727200 9.74401 -11.2055 27.4241 -12.2252 35.3966 -29.6105 31.0461 -27.5345 16.2736 TIMING: 4727200 CPU: 14948.1, 0.00317602/step Wall: 14948.1, 0.00317602/step, 0.240672 hours remaining, 234.371094 MB of memory in use. ENERGY: 4727200 4074.1406 20493.5956 14475.4104 261.4802 -203104.1557 2412.9152 0.0000 0.0000 51967.3191 -109419.2946 298.6569 -161386.6137 -109063.8858 298.7646 -129.2435 -110.0027 761307.5432 20.5256 20.4714 PRESSURE: 4727400 -206.582 -2.40689 80.5173 -2.40693 -127.052 205.292 80.5169 205.292 -91.4635 GPRESSURE: 4727400 -165.156 25.4463 6.06729 -86.4894 -120.132 166.067 32.1989 150.137 -38.8522 PRESSAVG: 4727400 -11.1818 -31.8663 -22.3193 -31.8663 -13.9926 50.3534 -22.3194 50.3532 24.7983 GPRESSAVG: 4727400 -11.2217 -32.3729 -20.188 -29.8674 -13.81 51.9759 -22.6311 49.1375 24.6022 TIMING: 4727400 CPU: 14948.8, 0.00319053/step Wall: 14948.8, 0.00319053/step, 0.241594 hours remaining, 234.371094 MB of memory in use. ENERGY: 4727400 3989.2303 20492.5313 14533.0979 238.8265 -203448.3797 2570.8657 0.0000 0.0000 51959.1710 -109664.6570 298.6101 -161623.8280 -109297.9287 298.7016 -141.6992 -108.0468 762150.6869 -0.1254 -0.1432 PRESSURE: 4727600 105.778 194.257 205.864 194.256 182.52 -90.734 205.864 -90.7359 469.674 GPRESSURE: 4727600 222.979 161.901 154.447 139.695 211.494 -27.0922 110.602 -236.628 430.09 PRESSAVG: 4727600 -2.11468 12.496 -42.7321 12.496 -5.73291 -37.3488 -42.7321 -37.3489 -33.1389 GPRESSAVG: 4727600 -2.70833 13.8334 -41.6493 10.1934 -4.63263 -38.8759 -43.254 -36.3728 -33.631 TIMING: 4727600 CPU: 14949.4, 0.00320489/step Wall: 14949.4, 0.00320489/step, 0.242503 hours remaining, 234.371094 MB of memory in use. ENERGY: 4727600 3939.9527 20360.3782 14399.1441 257.2550 -203423.0196 2679.5248 0.0000 0.0000 51814.1435 -109972.6213 297.7766 -161786.7648 -109610.0353 298.1362 252.6574 288.1877 761156.2522 -13.6622 -13.6573 PRESSURE: 4727800 307.384 59.3529 249.662 59.3544 -84.8907 233.574 249.663 233.576 -152.546 GPRESSURE: 4727800 280.536 42.19 289.464 44.0232 -93.0789 193.911 207.027 254.349 -8.32025 PRESSAVG: 4727800 34.7394 -9.85556 39.1374 -9.85555 1.94672 15.7125 39.1374 15.7125 -10.0152 GPRESSAVG: 4727800 34.7806 -13.2107 37.2938 -8.89145 0.410844 15.507 41.0051 14.7839 -8.80487 TIMING: 4727800 CPU: 14950.1, 0.00319179/step Wall: 14950.1, 0.00319179/step, 0.241335 hours remaining, 234.371094 MB of memory in use. ENERGY: 4727800 3934.9081 20316.2230 14517.7441 262.9577 -203781.6409 2721.2934 0.0000 0.0000 51908.1071 -110120.4075 298.3166 -162028.5146 -109757.2373 298.1106 23.3156 59.7123 759655.2625 8.8903 8.7955 PRESSURE: 4728000 -126.332 -343.089 -182.318 -343.089 268.53 21.9631 -182.318 21.9631 170.085 GPRESSURE: 4728000 -1.4577 -336.857 -129.431 -265.284 235.073 28.6676 -273.155 38.0384 163.067 PRESSAVG: 4728000 28.7375 7.31118 -17.8249 7.31116 -19.5289 -13.3041 -17.8249 -13.304 -10.8159 GPRESSAVG: 4728000 29.6134 10.8204 -17.4955 6.23324 -19.5816 -12.0283 -18.7799 -13.6434 -11.7544 TIMING: 4728000 CPU: 14950.7, 0.00321484/step Wall: 14950.7, 0.00321484/step, 0.242899 hours remaining, 234.371094 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: 4728000 3975.9512 20393.8040 14426.7447 249.4576 -203855.8044 2744.5786 0.0000 0.0000 52234.1900 -109831.0783 300.1906 -162065.2683 -109460.8942 298.5475 104.0945 132.2275 758895.3853 -0.5358 -0.5742 PRESSURE: 4728200 -18.689 -102.642 -221.968 -102.642 -142.94 -15.6001 -221.969 -15.6008 439.171 GPRESSURE: 4728200 19.3948 -63.1737 -285.069 -155.296 -101.848 -106.128 -177.957 -33.0365 427.387 PRESSAVG: 4728200 5.18928 -9.23528 -5.2935 -9.23524 -8.8275 -41.7542 -5.29355 -41.7541 -1.1616 GPRESSAVG: 4728200 3.70087 -9.88538 -5.26483 -8.50306 -7.43262 -45.0622 -3.25345 -39.9792 -1.24971 TIMING: 4728200 CPU: 14951.3, 0.00319306/step Wall: 14951.3, 0.00319306/step, 0.241076 hours remaining, 234.371094 MB of memory in use. ENERGY: 4728200 4010.0142 20426.8912 14561.3458 235.6455 -203604.3606 2610.0111 0.0000 0.0000 51782.1634 -109978.2894 297.5928 -161760.4528 -109612.6267 298.0104 92.5142 114.9778 760107.3607 -1.5999 -1.6605 LDB: ============= START OF LOAD BALANCING ============== 14963.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14963.9 LDB: =============== DONE WITH MIGRATION ================ 14963.9 LDB: ============= START OF LOAD BALANCING ============== 14964.2 LDB: Largest compute 7076 load 0.033374 is 17.1% of average load 0.195546 LDB: Average compute 0.004405 is 2.3% of average load 0.195546 LDB: TIME 14964.2 LOAD: AVG 0.195546 MAX 0.221391 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.27 MB LDB: TIME 14964.2 LOAD: AVG 0.195546 MAX 0.221391 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.34 MB LDB: TIME 14964.2 LOAD: AVG 0.195546 MAX 0.216436 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.34 MB LDB: ============== END OF LOAD BALANCING =============== 14964.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14964.2 PRESSURE: 4728400 -115.453 168.586 84.2719 168.587 49.4043 90.8913 84.2712 90.8921 -46.8247 GPRESSURE: 4728400 -84.6474 121.923 132.939 181.551 55.4424 163.409 71.5204 -15.4462 9.74644 PRESSAVG: 4728400 11.6809 -7.93987 -6.25627 -7.93988 -28.0491 4.96127 -6.2563 4.96129 20.6871 GPRESSAVG: 4728400 11.1826 -9.19124 -5.87825 -8.11491 -28.7206 7.13805 -6.46635 5.02439 21.8961 TIMING: 4728400 CPU: 14952, 0.00324519/step Wall: 14952, 0.00324519/step, 0.244832 hours remaining, 236.695312 MB of memory in use. ENERGY: 4728400 3934.8084 20434.1607 14515.2508 260.9681 -203451.8256 2497.2110 0.0000 0.0000 51981.7862 -109827.6403 298.7400 -161809.4265 -109468.6773 298.1177 -37.6246 -6.4862 759685.4319 1.4396 1.4527 PRESSURE: 4728600 -80.2359 301.673 -66.6573 301.673 -9.97518 56.4342 -66.6585 56.4338 107.385 GPRESSURE: 4728600 -73.7694 267.455 -154.192 233.157 82.4826 73.8442 -17.524 58.2121 107.969 PRESSAVG: 4728600 12.979 -13.625 49.6039 -13.6251 14.0579 13.4425 49.6039 13.4424 -3.67697 GPRESSAVG: 4728600 14.031 -14.0266 47.7118 -12.401 13.4378 13.76 47.8006 12.5098 -3.96962 TIMING: 4728600 CPU: 14952.6, 0.00318302/step Wall: 14952.6, 0.00318302/step, 0.239965 hours remaining, 236.898438 MB of memory in use. ENERGY: 4728600 3990.1186 20481.8788 14480.3896 248.1915 -203282.6843 2592.9725 0.0000 0.0000 51866.0197 -109623.1136 298.0747 -161489.1333 -109275.9293 298.7939 5.7245 38.8942 761421.0458 7.7867 7.8331 PRESSURE: 4728800 -10.6941 -19.8041 -88.5565 -19.8045 -394.381 19.7837 -88.5566 19.7824 12.4524 GPRESSURE: 4728800 41.1027 -44.314 -162.055 -160.884 -341.203 81.2973 -57.6627 102.643 16.3419 PRESSAVG: 4728800 62.2363 1.24617 -54.1631 1.24618 -44.7052 -12.5966 -54.1631 -12.5966 -29.122 GPRESSAVG: 4728800 63.0016 -0.00970235 -52.6654 1.18748 -43.6528 -13.8256 -54.7206 -12.546 -30.5265 TIMING: 4728800 CPU: 14953.3, 0.00317674/step Wall: 14953.3, 0.00317674/step, 0.239315 hours remaining, 236.898438 MB of memory in use. ENERGY: 4728800 3989.3519 20247.4349 14549.9869 257.6782 -203653.9465 2819.9425 0.0000 0.0000 52048.9141 -109740.6380 299.1258 -161789.5521 -109378.1565 299.0268 -130.8742 -94.5862 761349.5626 -3.8636 -3.7259 PRESSURE: 4729000 124.616 -58.4254 -122.199 -58.4256 -101.717 -26.2028 -122.198 -26.2022 -50.9654 GPRESSURE: 4729000 185.502 -93.5097 -171.467 37.3072 -76.9834 -194.029 -141.844 23.2808 -46.846 PRESSAVG: 4729000 18.1406 -19.311 -14.028 -19.311 -52.5228 48.6133 -14.028 48.6133 18.9052 GPRESSAVG: 4729000 16.2711 -16.2802 -14.2655 -20.0467 -52.6244 48.7894 -14.6958 49.6238 21.1037 TIMING: 4729000 CPU: 14953.9, 0.00316676/step Wall: 14953.9, 0.00316676/step, 0.238387 hours remaining, 236.898438 MB of memory in use. ENERGY: 4729000 3956.9002 20459.7975 14458.5288 244.5031 -203161.8185 2262.6584 0.0000 0.0000 52113.2937 -109666.1369 299.4958 -161779.4306 -109310.7561 299.1883 -9.3557 20.5575 762123.9190 -5.1590 -5.0832 PRESSURE: 4729200 83.3786 -35.2261 -31.3933 -35.2249 93.0261 -86.4888 -31.3935 -86.4877 -38.0295 GPRESSURE: 4729200 114.6 -85.8527 -50.3786 77.1712 154.852 0.441139 -20.2221 -31.4568 -55.5325 PRESSAVG: 4729200 -60.9261 -34.9845 12.6685 -34.9845 50.7068 -17.5028 12.6685 -17.5027 3.2219 GPRESSAVG: 4729200 -60.0222 -36.3406 13.0071 -34.557 51.5714 -17.0209 12.1804 -17.2479 1.43633 TIMING: 4729200 CPU: 14954.5, 0.00314535/step Wall: 14954.5, 0.00314535/step, 0.2366 hours remaining, 236.898438 MB of memory in use. ENERGY: 4729200 3943.2995 20303.4283 14560.8023 256.3688 -203450.0737 2600.9524 0.0000 0.0000 51982.7006 -109802.5219 298.7453 -161785.2225 -109444.7243 298.7734 46.1250 71.3065 761047.8064 -2.3325 -2.3381 PRESSURE: 4729400 -128.953 108.441 40.1156 108.441 -1.87523 153.177 40.1156 153.177 -33.1913 GPRESSURE: 4729400 -26.8069 63.2573 41.3866 48.3463 17.9481 163.329 18.9917 40.915 -57.9579 PRESSAVG: 4729400 16.9533 -46.1167 43.1168 -46.1167 35.5847 -6.01932 43.1169 -6.01928 -20.65 GPRESSAVG: 4729400 17.2274 -43.6123 42.2803 -47.7204 34.9529 -4.74679 42.7606 -7.41519 -20.4489 TIMING: 4729400 CPU: 14955.2, 0.0031585/step Wall: 14955.2, 0.0031585/step, 0.237414 hours remaining, 236.898438 MB of memory in use. ENERGY: 4729400 3958.7118 20577.0920 14435.2716 259.9114 -203834.0282 2754.7622 0.0000 0.0000 51848.3597 -109999.9195 297.9732 -161848.2792 -109646.2919 298.2149 -54.6732 -22.2722 761230.7800 10.6294 10.5771 PRESSURE: 4729600 -225.086 169.738 21.6655 169.738 -237.816 118.329 21.6652 118.328 -167.421 GPRESSURE: 4729600 -151.049 77.1868 -46.0256 202.564 -249.93 73.5958 44.0848 67.9718 -137.271 PRESSAVG: 4729600 -29.7133 0.769901 -5.35372 0.769892 16.7211 -9.71488 -5.35367 -9.71483 5.89335 GPRESSAVG: 4729600 -29.3656 -1.00588 -3.73502 1.84759 15.9078 -11.5184 -2.24749 -8.8568 6.1614 TIMING: 4729600 CPU: 14955.8, 0.00318072/step Wall: 14955.8, 0.00318072/step, 0.238907 hours remaining, 236.898438 MB of memory in use. ENERGY: 4729600 3914.7476 20514.6902 14468.9730 217.2651 -203299.7840 2222.1311 0.0000 0.0000 51871.7421 -110090.2350 298.1076 -161961.9770 -109732.2085 297.8591 -210.1075 -179.4165 760734.0082 -2.3663 -2.4321 PRESSURE: 4729800 -22.7717 -12.2674 51.9055 -12.2675 -129.899 93.3429 51.9054 93.3435 -497.848 GPRESSURE: 4729800 -14.888 47.5872 16.6372 -59.0181 -63.7053 61.7075 -0.318095 98.4757 -469.304 PRESSAVG: 4729800 -2.28257 -6.31109 9.30835 -6.31107 33.1519 16.7133 9.30827 16.7133 8.73011 GPRESSAVG: 4729800 -2.72609 -6.2572 7.4183 -6.08575 32.2957 16.7317 9.0496 18.1935 9.86564 TIMING: 4729800 CPU: 14956.4, 0.003177/step Wall: 14956.4, 0.003177/step, 0.238452 hours remaining, 236.898438 MB of memory in use. ENERGY: 4729800 4038.2597 20527.5752 14469.9119 235.0385 -203364.9962 2426.8256 0.0000 0.0000 51692.6459 -109974.7393 297.0783 -161667.3853 -109618.9474 298.1483 -216.8394 -182.6325 760380.3286 13.1998 13.1451 PRESSURE: 4730000 -21.8666 74.9215 206.021 74.9215 -239.228 -33.0755 206.022 -33.0763 -368.032 GPRESSURE: 4730000 -91.6603 138.522 84.7416 84.3346 -99.6704 -53.4656 177.594 134.283 -321.615 PRESSAVG: 4730000 60.9088 -9.69825 16.986 -9.69823 -34.96 22.4431 16.986 22.443 7.54898 GPRESSAVG: 4730000 59.4108 -10.5489 17.4535 -10.5912 -33.6915 21.8459 16.5354 21.3766 8.11685 TIMING: 4730000 CPU: 14957.1, 0.00318274/step Wall: 14957.1, 0.00318274/step, 0.238705 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: 4730000 3980.7247 20242.1559 14452.9047 241.2632 -203215.2619 2417.0240 0.0000 0.0000 51862.2384 -110018.9510 298.0530 -161881.1894 -109654.3686 297.9336 -209.7087 -170.9819 761300.2191 11.1659 11.2788 PRESSURE: 4730200 -197.058 96.379 101.921 96.3785 191.853 90.0097 101.921 90.0105 -226.273 GPRESSURE: 4730200 -139.221 204.998 209.992 88.5258 175.133 48.8128 -59.1152 206.369 -172.244 PRESSAVG: 4730200 -56.5398 -34.9207 11.1612 -34.9207 51.9589 3.29585 11.1612 3.2958 -24.3888 GPRESSAVG: 4730200 -53.9073 -34.0779 11.2895 -33.2311 50.4766 2.7408 10.7669 5.73543 -25.3733 TIMING: 4730200 CPU: 14957.7, 0.00317273/step Wall: 14957.7, 0.00317273/step, 0.237778 hours remaining, 236.898438 MB of memory in use. ENERGY: 4730200 3941.8524 20412.6022 14424.0607 251.3707 -203278.1106 2352.2285 0.0000 0.0000 52080.5514 -109815.4447 299.3076 -161895.9961 -109454.9642 298.1244 -77.1595 -45.4439 761895.0052 -9.6566 -9.6013 PRESSURE: 4730400 49.1779 82.5841 163.642 82.5843 77.4178 -50.2688 163.642 -50.2688 -46.1694 GPRESSURE: 4730400 90.4201 124.35 222.056 59.4134 87.099 25.9947 169.887 84.9497 -8.32374 PRESSAVG: 4730400 5.57542 -22.3335 0.957627 -22.3335 26.1059 47.828 0.957619 47.828 -0.590848 GPRESSAVG: 4730400 4.52275 -23.0305 0.630844 -22.8943 27.7336 49.1245 1.11162 46.2579 -1.33863 TIMING: 4730400 CPU: 14958.3, 0.00319173/step Wall: 14958.3, 0.00319173/step, 0.239025 hours remaining, 236.898438 MB of memory in use. ENERGY: 4730400 4054.9493 20458.7161 14400.1241 269.0036 -203425.3403 2683.5765 0.0000 0.0000 51861.9302 -109697.0405 298.0512 -161558.9707 -109343.2995 298.7228 26.8088 56.3984 762371.6206 10.3635 10.3059 PRESSURE: 4730600 -90.1211 -82.9096 -134.77 -82.9096 -83.4699 85.2002 -134.771 85.1996 -163.238 GPRESSURE: 4730600 -50.377 -63.9167 -232.938 -176.341 -25.0607 34.4291 -216.703 112.153 -176.73 PRESSAVG: 4730600 30.8738 -13.4178 -25.2779 -13.4179 -26.3355 35.3869 -25.278 35.3869 18.3313 GPRESSAVG: 4730600 31.1498 -13.8052 -23.8876 -14.4489 -27.0221 36.1441 -24.0648 34.6598 18.7307 TIMING: 4730600 CPU: 14959, 0.00319727/step Wall: 14959, 0.00319727/step, 0.239262 hours remaining, 236.898438 MB of memory in use. ENERGY: 4730600 3977.4938 20320.0923 14404.0939 244.0648 -202974.2615 2322.1740 0.0000 0.0000 52186.5934 -109519.7493 299.9171 -161706.3427 -109157.4833 298.8639 -112.2762 -84.0560 762631.8786 7.6232 7.6195 PRESSURE: 4730800 76.894 -67.2003 230.745 -67.2002 194.747 -258.895 230.744 -258.895 -399.239 GPRESSURE: 4730800 137.258 -63.8714 204.298 -11.71 275.792 -320.313 283.492 -251.98 -446.461 PRESSAVG: 4730800 40.643 -49.8995 -47.1148 -49.8995 0.175228 -48.3195 -47.1149 -48.3195 -7.09214 GPRESSAVG: 4730800 40.3646 -48.7667 -47.8608 -49.7125 -0.613589 -47.6824 -48.6972 -48.0965 -6.57809 TIMING: 4730800 CPU: 14959.6, 0.00316771/step Wall: 14959.6, 0.00316771/step, 0.236874 hours remaining, 236.898438 MB of memory in use. ENERGY: 4730800 4017.4624 20348.8411 14449.2659 254.2076 -203510.3928 2885.2634 0.0000 0.0000 51869.1746 -109686.1777 298.0929 -161555.3523 -109322.8351 298.8857 -42.5326 -11.1371 762862.7549 11.2420 11.0576 PRESSURE: 4731000 -194.072 -270.327 -50.8514 -270.327 -375.54 324.768 -50.8518 324.768 -168.243 GPRESSURE: 4731000 -178.269 -259.671 4.256 -289.935 -337.685 257.634 -54.1776 360.269 -158.242 PRESSAVG: 4731000 3.89147 12.2214 -11.569 12.2214 -9.64957 40.9015 -11.5691 40.9016 19.613 GPRESSAVG: 4731000 4.2977 11.0035 -11.9654 13.8316 -8.61589 39.5987 -11.6028 40.5294 18.4406 TIMING: 4731000 CPU: 14960.2, 0.00317071/step Wall: 14960.2, 0.00317071/step, 0.236923 hours remaining, 236.898438 MB of memory in use. ENERGY: 4731000 4065.3814 20478.6143 14465.7363 254.6767 -203362.1260 2689.5388 0.0000 0.0000 52020.2791 -109387.8994 298.9613 -161408.1785 -109030.8513 299.0458 -245.9518 -224.7317 765079.4659 4.6183 4.7075 PRESSURE: 4731200 -74.2905 119.214 101.865 119.215 -162.332 301.043 101.866 301.042 236.148 GPRESSURE: 4731200 -14.7656 78.0368 50.8361 126.809 -140.078 437.436 174.568 162.887 223.5 PRESSAVG: 4731200 18.2397 30.8238 27.6759 30.8237 -41.0422 9.85513 27.6759 9.85513 -3.61246 GPRESSAVG: 4731200 17.3531 32.9379 29.5062 26.132 -41.948 10.8183 27.0963 9.96605 -1.93601 TIMING: 4731200 CPU: 14960.9, 0.00317829/step Wall: 14960.9, 0.00317829/step, 0.237312 hours remaining, 236.898438 MB of memory in use. ENERGY: 4731200 4038.9489 20515.0297 14520.2482 239.2155 -203253.9597 2568.4296 0.0000 0.0000 51846.8833 -109525.2046 297.9648 -161372.0879 -109169.1760 298.8581 -0.1580 22.8854 764223.2021 -8.8050 -8.8436 PRESSURE: 4731400 -109.382 -9.56024 -256.182 -9.55928 38.3211 184.113 -256.181 184.113 -22.0636 GPRESSURE: 4731400 -157.245 -91.9201 -296.588 7.78529 141.233 179.6 -100.353 171.758 10.3581 PRESSAVG: 4731400 -14.2808 41.9051 7.54144 41.9051 -8.95788 41.7113 7.54141 41.7114 2.83601 GPRESSAVG: 4731400 -13.7059 41.6556 5.72315 44.8686 -7.18342 42.203 9.44729 40.396 1.42652 TIMING: 4731400 CPU: 14961.5, 0.00317896/step Wall: 14961.5, 0.00317896/step, 0.237185 hours remaining, 236.898438 MB of memory in use. ENERGY: 4731400 4088.7415 20498.2768 14483.8336 246.0704 -203481.4203 2731.5943 0.0000 0.0000 51942.2236 -109490.6801 298.5127 -161432.9037 -109127.6978 298.9842 -31.0415 -1.8847 763180.5518 -6.8009 -6.4876 PRESSURE: 4731600 -239.802 -11.4936 27.2949 -11.4934 102.558 -91.8008 27.2947 -91.8004 -282.661 GPRESSURE: 4731600 -207.511 -45.0937 30.1919 28.7008 98.2243 -100.147 -4.60643 -67.2147 -229.934 PRESSAVG: 4731600 -54.1144 14.7402 -6.53708 14.7403 22.8344 48.318 -6.53713 48.318 18.4867 GPRESSAVG: 4731600 -53.5594 13.6724 -5.41599 15.0573 21.0877 46.6376 -9.35285 50.648 18.3443 TIMING: 4731600 CPU: 14962.1, 0.00317639/step Wall: 14962.1, 0.00317639/step, 0.236817 hours remaining, 236.898438 MB of memory in use. ENERGY: 4731600 4024.2024 20399.0452 14495.5504 239.3851 -203201.9001 2451.4337 0.0000 0.0000 52134.0849 -109458.1984 299.6153 -161592.2832 -109089.1153 298.9444 -139.9684 -113.0735 762475.2944 -4.2644 -4.7091 PRESSURE: 4731800 -303.325 47.806 -28.1949 47.8062 -56.8382 5.8541 -28.1958 5.85408 -175.501 GPRESSURE: 4731800 -297.323 41.9926 -60.5988 -31.3147 -0.387911 76.6446 -77.605 -103.519 -147.194 PRESSAVG: 4731800 -20.7664 -24.885 16.5515 -24.885 33.6323 15.9788 16.5515 15.9788 1.90874 GPRESSAVG: 4731800 -22.0371 -25.5574 16.8281 -24.6058 35.1432 17.141 16.9564 15.9189 1.50481 TIMING: 4731800 CPU: 14962.8, 0.0031644/step Wall: 14962.8, 0.0031644/step, 0.235748 hours remaining, 236.898438 MB of memory in use. ENERGY: 4731800 3919.2147 20478.4816 14492.1314 251.3523 -203679.2424 2867.7722 0.0000 0.0000 51924.5877 -109745.7026 298.4113 -161670.2902 -109388.1093 299.2471 -178.5547 -148.3014 761381.3395 4.9249 4.8703 PRESSURE: 4732000 410.285 -84.8346 -4.88488 -84.8339 227.708 185.362 -4.88471 185.361 605.499 GPRESSURE: 4732000 488.773 -66.1992 -71.2133 -24.5593 248.91 90.823 -70.923 209.305 590.32 PRESSAVG: 4732000 12.4054 -26.0271 -31.273 -26.0271 32.0564 1.77963 -31.273 1.77963 17.9681 GPRESSAVG: 4732000 13.5749 -24.0329 -33.2357 -27.348 30.6963 2.31492 -28.6982 -0.0804568 17.9796 TIMING: 4732000 CPU: 14963.4, 0.00317674/step Wall: 14963.4, 0.00317674/step, 0.236491 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: 4732000 4014.3571 20442.7041 14498.6411 234.9500 -203907.3914 2882.3866 0.0000 0.0000 52192.3021 -109642.0504 299.9499 -161834.3525 -109274.3171 298.6467 414.4975 442.6675 761119.9458 20.8100 20.7503 PRESSURE: 4732200 -108.668 -137.491 134.502 -137.491 -379.501 -82.6794 134.502 -82.68 -49.0278 GPRESSURE: 4732200 -37.1924 -198.044 176.71 -129.106 -370.671 -30.9594 24.4317 -151.612 -37.7089 PRESSAVG: 4732200 -46.2231 -50.828 14.735 -50.828 21.6119 30.3515 14.7351 30.3516 -11.3682 GPRESSAVG: 4732200 -46.6997 -52.5687 14.9032 -49.4332 22.2509 28.1295 14.2402 31.2611 -11.0791 TIMING: 4732200 CPU: 14964, 0.00318288/step Wall: 14964, 0.00318288/step, 0.236771 hours remaining, 236.898438 MB of memory in use. ENERGY: 4732200 4035.0337 20455.2454 14513.0493 232.1130 -204038.3961 3054.4957 0.0000 0.0000 52155.9426 -109592.5163 299.7409 -161748.4589 -109224.2716 298.7058 -179.0656 -148.5241 762843.8480 -11.9931 -11.8426 LDB: ============= START OF LOAD BALANCING ============== 14976.6 LDB: ============== END OF LOAD BALANCING =============== 14976.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14976.6 LDB: ============= START OF LOAD BALANCING ============== 14976.9 LDB: Largest compute 7026 load 0.034540 is 17.7% of average load 0.195629 LDB: Average compute 0.004409 is 2.3% of average load 0.195629 LDB: TIME 14976.9 LOAD: AVG 0.195629 MAX 0.215445 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.711 MB LDB: TIME 14976.9 LOAD: AVG 0.195629 MAX 0.215445 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: TIME 14976.9 LOAD: AVG 0.195629 MAX 0.215445 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.711 MB LDB: ============== END OF LOAD BALANCING =============== 14976.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14976.9 PRESSURE: 4732400 -43.3288 96.9657 12.8935 96.966 -362.732 21.0109 12.8942 21.0108 -299.973 GPRESSURE: 4732400 7.05088 193.648 51.8063 117.866 -358.1 -57.8915 26.4555 49.3343 -282.458 PRESSAVG: 4732400 16.8748 -2.97851 -65.5709 -2.97854 3.76832 91.5102 -65.5709 91.5102 5.34203 GPRESSAVG: 4732400 16.2479 -2.5271 -63.4523 -3.97405 3.76358 91.4941 -65.6777 91.179 6.16193 TIMING: 4732400 CPU: 14964.7, 0.00324519/step Wall: 14964.7, 0.00324519/step, 0.241226 hours remaining, 235.195312 MB of memory in use. ENERGY: 4732400 3984.6638 20677.5853 14549.2924 239.4818 -203393.5187 2434.2577 0.0000 0.0000 51947.8550 -109560.3825 298.5450 -161508.2376 -109197.7998 298.7876 -235.3444 -211.1692 763368.1766 8.6617 8.7245 PRESSURE: 4732600 4.97959 147.077 -44.0443 147.078 -44.8042 -149.834 -44.0442 -149.833 531.17 GPRESSURE: 4732600 48.0111 148.367 22.6789 195.6 76.6511 -151.097 5.77801 -148.436 451.616 PRESSAVG: 4732600 -7.44533 -43.6558 -54.8233 -43.6558 -19.9606 50.9583 -54.8233 50.9583 24.4235 GPRESSAVG: 4732600 -6.3766 -44.1685 -56.8473 -44.2623 -20.4865 51.8957 -56.4669 50.6723 23.8458 TIMING: 4732600 CPU: 14965.3, 0.00319057/step Wall: 14965.3, 0.00319057/step, 0.236989 hours remaining, 235.195312 MB of memory in use. ENERGY: 4732600 3903.8195 20452.4315 14446.4219 241.7215 -203374.4857 2554.0476 0.0000 0.0000 51957.0956 -109818.9481 298.5981 -161776.0437 -109463.0303 298.3440 163.7819 192.0928 763090.7857 -0.9942 -1.0058 PRESSURE: 4732800 339.979 -98.4507 141.544 -98.4508 41.8619 47.6846 141.544 47.6844 29.3401 GPRESSURE: 4732800 394.861 -35.7702 112.239 -210.744 14.3235 105.052 72.3041 -56.3534 94.5848 PRESSAVG: 4732800 50.2907 8.61926 -21.5362 8.61928 -48.9696 9.95657 -21.5362 9.95651 -3.07436 GPRESSAVG: 4732800 49.3672 8.81579 -21.0346 9.00413 -48.9197 8.64337 -21.1001 10.8874 -2.03075 TIMING: 4732800 CPU: 14966, 0.00318712/step Wall: 14966, 0.00318712/step, 0.236555 hours remaining, 235.332031 MB of memory in use. ENERGY: 4732800 3960.5108 20448.7259 14507.5924 255.9236 -204136.3110 3180.9871 0.0000 0.0000 52077.8687 -109704.7025 299.2922 -161782.5712 -109350.8868 298.3130 137.0605 167.9230 762642.4276 -0.5844 -0.5278 PRESSURE: 4733000 -157.292 28.859 -72.5097 28.8593 -304.273 -135.886 -72.5095 -135.885 53.4751 GPRESSURE: 4733000 -111.791 24.1931 -57.9182 27.5247 -263.729 -187.494 -241.77 -175.845 61.9896 PRESSAVG: 4733000 49.3289 5.88484 -63.1802 5.88483 -64.6287 24.1912 -63.1802 24.191 3.818 GPRESSAVG: 4733000 50.2932 4.57759 -63.0133 7.59345 -65.0792 24.5337 -64.2265 23.9154 3.54257 TIMING: 4733000 CPU: 14966.6, 0.00317921/step Wall: 14966.6, 0.00317921/step, 0.235792 hours remaining, 235.332031 MB of memory in use. ENERGY: 4733000 3934.8251 20504.3922 14510.1877 247.9805 -202865.3087 2303.3575 0.0000 0.0000 51808.1199 -109556.4459 297.7420 -161364.5658 -109184.4440 298.7410 -136.0300 -104.5104 763356.0278 -3.8273 -3.7478 PRESSURE: 4733200 58.9833 -202.292 156.136 -202.292 120.135 -96.2238 156.136 -96.2237 -97.9488 GPRESSURE: 4733200 148.407 -237.309 205.386 -183.972 108.752 -141.891 98.0554 -196.956 -102.864 PRESSAVG: 4733200 89.6306 -5.3852 8.49994 -5.3852 -100.474 -56.0395 8.49985 -56.0394 -7.71025 GPRESSAVG: 4733200 88.7609 -3.84091 11.2769 -6.04032 -100.196 -54.9601 7.03351 -57.07 -7.39263 TIMING: 4733200 CPU: 14967.2, 0.00317283/step Wall: 14967.2, 0.00317283/step, 0.235142 hours remaining, 235.332031 MB of memory in use. ENERGY: 4733200 3975.7400 20393.0434 14411.1165 227.6028 -203730.4858 2966.1578 0.0000 0.0000 52329.6254 -109427.2000 300.7391 -161756.8254 -109057.3009 298.9378 27.0566 51.4315 761447.1611 -6.1844 -6.2761 PRESSURE: 4733400 -247.409 228.696 -172.192 228.696 -260.114 206.705 -172.194 206.705 11.3605 GPRESSURE: 4733400 -125.831 112.777 -138.341 222.544 -244.653 203.019 -8.29441 264.512 -48.4777 PRESSAVG: 4733400 18.081 -18.4139 -56.8915 -18.4139 -18.3738 3.12103 -56.8915 3.12097 -10.2617 GPRESSAVG: 4733400 17.4662 -19.0755 -61.0237 -19.2168 -17.8499 4.01692 -53.0673 3.76142 -10.2915 TIMING: 4733400 CPU: 14967.9, 0.00317128/step Wall: 14967.9, 0.00317128/step, 0.234851 hours remaining, 235.332031 MB of memory in use. ENERGY: 4733400 4053.2661 20295.4738 14551.9627 255.7080 -202601.0410 2131.0890 0.0000 0.0000 52187.4421 -109126.0993 299.9219 -161313.5414 -108760.8111 299.1917 -165.3874 -139.6540 762082.3783 -3.5181 -3.5584 PRESSURE: 4733600 385.009 -312.234 1.52507 -312.233 216.991 73.8256 1.5258 73.8253 -73.1361 GPRESSURE: 4733600 453.02 -300.431 39.7809 -176.449 247.104 83.0416 7.07864 141.618 -72.3054 PRESSAVG: 4733600 -49.2072 26.3624 18.1851 26.3624 -5.22174 40.6262 18.185 40.6262 3.56206 GPRESSAVG: 4733600 -48.6273 24.8248 19.2758 26.213 -5.74508 39.5091 18.0024 42.577 3.62096 TIMING: 4733600 CPU: 14968.5, 0.00316947/step Wall: 14968.5, 0.00316947/step, 0.234541 hours remaining, 235.332031 MB of memory in use. ENERGY: 4733600 4024.6131 20439.8198 14514.7546 245.4596 -203663.0076 3124.9983 0.0000 0.0000 52118.9194 -109194.4428 299.5281 -161313.3622 -108829.9423 299.5652 176.2878 209.2730 761847.5831 -16.9556 -16.9172 PRESSURE: 4733800 61.0058 -50.6405 -11.7004 -50.6404 -87.5268 -26.0947 -11.7003 -26.0939 -403.845 GPRESSURE: 4733800 38.3962 32.6775 -73.2333 40.1156 -29.2151 43.8985 1.92475 38.5966 -346.089 PRESSAVG: 4733800 -4.56317 -34.7217 24.1863 -34.7218 -20.0852 -28.2292 24.1863 -28.2292 -23.6872 GPRESSAVG: 4733800 -4.51573 -31.6723 24.7529 -34.5592 -19.8429 -28.5329 23.8284 -27.8942 -23.27 TIMING: 4733800 CPU: 14969.1, 0.00317537/step Wall: 14969.1, 0.00317537/step, 0.234801 hours remaining, 235.332031 MB of memory in use. ENERGY: 4733800 4025.0890 20604.9178 14401.9437 269.1335 -203363.2471 2882.7884 0.0000 0.0000 52166.7280 -109012.6468 299.8029 -161179.3748 -108660.9483 300.0113 -143.4554 -112.3028 763239.2606 -16.1119 -15.8762 PRESSURE: 4734000 -237.462 60.782 1.60746 60.7813 247.772 48.9088 1.60643 48.9069 -56.6277 GPRESSURE: 4734000 -186.819 17.6787 24.9982 48.4478 256.636 66.1665 87.1859 163.338 -42.3312 PRESSAVG: 4734000 5.38326 -3.45147 -28.6571 -3.45151 28.8094 -23.155 -28.6572 -23.155 28.4936 GPRESSAVG: 4734000 6.37968 -7.10262 -27.754 -1.73212 27.4141 -23.3128 -29.344 -25.2094 28.9802 TIMING: 4734000 CPU: 14969.8, 0.00318067/step Wall: 14969.8, 0.00318067/step, 0.235016 hours remaining, 235.332031 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: 4734000 3903.5982 20649.0706 14518.5212 248.7632 -203068.5931 2505.6935 0.0000 0.0000 52225.4761 -109017.4702 300.1405 -161242.9463 -108663.3101 300.2591 -15.4392 9.1622 762866.0924 20.8954 20.9247 PRESSURE: 4734200 47.2817 -32.1941 5.14027 -32.1954 -132.292 -2.34409 5.13996 -2.34439 -90.9733 GPRESSURE: 4734200 32.6073 108.178 -24.6874 -68.5231 -86.4958 27.5728 103.047 -27.5585 -40.7291 PRESSAVG: 4734200 -4.28143 -91.9532 42.8054 -91.9532 -16.2786 -1.06976 42.8054 -1.06969 19.4909 GPRESSAVG: 4734200 -3.62534 -90.5051 43.4629 -93.9432 -16.6802 -0.643568 43.4001 -1.00138 18.9402 TIMING: 4734200 CPU: 14970.4, 0.00317143/step Wall: 14970.4, 0.00317143/step, 0.234157 hours remaining, 235.332031 MB of memory in use. ENERGY: 4734200 3964.0094 20634.7465 14538.5492 245.7782 -203750.6095 3022.1342 0.0000 0.0000 52373.1902 -108972.2018 300.9894 -161345.3920 -108604.9310 300.4120 -58.6613 -31.5392 761881.9994 -0.3564 -0.4551 PRESSURE: 4734400 84.0584 64.1995 144.619 64.2003 -34.785 -73.0223 144.618 -73.0231 -262.39 GPRESSURE: 4734400 129.243 145.567 180.559 -24.7806 9.67983 -38.964 156.872 -141.187 -268.385 PRESSAVG: 4734400 2.59029 -14.6838 -14.9579 -14.6838 -48.5183 2.55477 -14.9579 2.55474 -7.42421 GPRESSAVG: 4734400 2.02586 -14.5254 -16.2457 -15.117 -47.7266 0.994991 -14.0511 5.03595 -7.39819 TIMING: 4734400 CPU: 14971.1, 0.00316633/step Wall: 14971.1, 0.00316633/step, 0.233605 hours remaining, 235.332031 MB of memory in use. ENERGY: 4734400 4040.7754 20556.0176 14505.3569 238.7573 -203192.9220 2697.2695 0.0000 0.0000 52269.7879 -108884.9574 300.3952 -161154.7453 -108525.4260 300.1674 -71.0388 -43.1540 762567.3590 -17.7841 -17.6996 PRESSURE: 4734600 -271.191 -138.249 41.2423 -138.25 -179.146 158.517 41.2419 158.517 396.047 GPRESSURE: 4734600 -303.876 -11.1385 57.2208 -148.782 -126.672 132.045 33.4086 115.12 463.034 PRESSAVG: 4734600 -38.2124 -3.14001 52.0894 -3.14002 21.867 -53.5377 52.0895 -53.5377 -21.128 GPRESSAVG: 4734600 -38.0803 -2.69464 51.9103 -3.18912 22.5421 -52.7176 50.9678 -55.1181 -21.7621 TIMING: 4734600 CPU: 14971.7, 0.00316814/step Wall: 14971.7, 0.00316814/step, 0.233562 hours remaining, 235.332031 MB of memory in use. ENERGY: 4734600 3953.4791 20582.0239 14414.4631 244.7500 -202894.9474 2602.1812 0.0000 0.0000 52220.2719 -108877.7782 300.1106 -161098.0500 -108508.1027 300.4127 -18.0967 10.8284 761818.1795 -12.4911 -12.4334 PRESSURE: 4734800 -101.564 29.1066 6.40216 29.107 -54.1286 -18.0615 6.4022 -18.0609 -337.48 GPRESSURE: 4734800 33.9518 93.9519 -32.9301 148.799 -89.2533 88.7749 -35.5809 -6.66436 -329.867 PRESSAVG: 4734800 69.4384 31.7632 14.734 31.7632 -37.9047 15.3309 14.734 15.3309 7.67566 GPRESSAVG: 4734800 70.0689 29.4642 11.8983 33.109 -37.9904 17.8575 16.1162 13.7127 8.31494 TIMING: 4734800 CPU: 14972.3, 0.00317627/step Wall: 14972.3, 0.00317627/step, 0.233985 hours remaining, 235.332031 MB of memory in use. ENERGY: 4734800 3969.8933 20660.1844 14542.6113 240.9336 -202943.0790 2362.5755 0.0000 0.0000 52212.2902 -108954.5907 300.0647 -161166.8809 -108582.2753 300.0504 -164.3910 -128.3895 762728.0452 13.0698 13.4645 PRESSURE: 4735000 61.6584 -244.151 103.04 -244.152 127.479 -120.181 103.04 -120.182 -322.276 GPRESSURE: 4735000 195.319 -141.528 117.388 -245.187 83.9605 -114.743 129.889 -176.11 -328.835 PRESSAVG: 4735000 12.1642 -7.25617 -52.9938 -7.25619 3.33886 -60.6062 -52.9938 -60.6062 -18.5036 GPRESSAVG: 4735000 12.7094 -4.64483 -49.8835 -8.28652 1.79088 -62.4361 -53.21 -58.4175 -17.3999 TIMING: 4735000 CPU: 14973, 0.00317765/step Wall: 14973, 0.00317765/step, 0.23391 hours remaining, 235.332031 MB of memory in use. ENERGY: 4735000 3992.2215 20583.3461 14488.9904 240.2496 -203006.9673 2464.1726 0.0000 0.0000 52140.4804 -109097.5067 299.6521 -161237.9870 -108739.0926 299.9708 -44.3792 -16.5183 761388.2055 -1.0002 -0.9666 PRESSURE: 4735200 -372.534 139.898 19.7266 139.898 -190.642 -308.466 19.7264 -308.468 72.2591 GPRESSURE: 4735200 -260.959 85.3031 -33.7067 145.307 -191.597 -336.386 118.332 -286.352 61.106 PRESSAVG: 4735200 48.2949 -19.5415 38.9018 -19.5415 -65.8462 -23.0465 38.9018 -23.0465 -16.9871 GPRESSAVG: 4735200 47.478 -22.2543 38.3531 -18.5068 -64.169 -21.9371 39.1078 -23.2004 -17.9473 TIMING: 4735200 CPU: 14973.6, 0.00317504/step Wall: 14973.6, 0.00317504/step, 0.233542 hours remaining, 235.332031 MB of memory in use. ENERGY: 4735200 4031.4002 20700.1965 14439.5027 265.6489 -203440.0928 2633.8787 0.0000 0.0000 52140.9332 -109228.5326 299.6547 -161369.4658 -108870.1843 299.4716 -163.6390 -130.4833 763049.8598 -11.5128 -11.5461 PRESSURE: 4735400 302.592 326.686 -44.3109 326.685 -10.0335 177.695 -44.3103 177.696 77.6847 GPRESSURE: 4735400 278.018 326.259 21.3413 333.986 83.5382 202.602 -80.1257 37.2969 104.625 PRESSAVG: 4735400 37.833 7.21358 23.0971 7.21359 -40.2462 -72.2483 23.0972 -72.2482 13.854 GPRESSAVG: 4735400 37.2615 8.83725 23.874 3.90419 -39.7013 -72.5494 22.8628 -72.3441 14.1363 TIMING: 4735400 CPU: 14974.2, 0.0031687/step Wall: 14974.2, 0.0031687/step, 0.232899 hours remaining, 235.535156 MB of memory in use. ENERGY: 4735400 3995.2916 20527.0578 14466.5440 273.2600 -202998.7227 2695.8401 0.0000 0.0000 51821.7525 -109218.9766 297.8203 -161040.7292 -108866.2610 299.9232 123.4145 155.3939 762472.6284 3.8136 3.8988 PRESSURE: 4735600 260.054 -53.4564 -221.976 -53.4571 102.37 -71.0153 -221.976 -71.0151 605.323 GPRESSURE: 4735600 425.56 -26.168 -186.531 59.5075 61.4585 16.5056 -124.384 -52.3861 577.024 PRESSAVG: 4735600 22.245 26.1426 57.9723 26.1426 -11.0805 -11.121 57.9724 -11.121 0.494009 GPRESSAVG: 4735600 24.2437 25.8551 58.9622 30.0667 -12.9586 -10.5071 57.0367 -12.869 0.288422 TIMING: 4735600 CPU: 14974.9, 0.0031546/step Wall: 14974.9, 0.0031546/step, 0.231688 hours remaining, 235.535156 MB of memory in use. ENERGY: 4735600 4002.4615 20373.9554 14469.4224 236.3329 -203035.0029 2646.9106 0.0000 0.0000 52033.6899 -109272.2303 299.0383 -161305.9202 -108905.2038 299.1057 322.5822 354.6806 761562.9277 3.8862 3.8578 PRESSURE: 4735800 167.098 -126.455 30.626 -126.455 -42.5548 -57.2861 30.6265 -57.2854 -41.5254 GPRESSURE: 4735800 199.229 -109.103 27.7038 -63.3779 49.1 -127.818 76.5251 -37.8932 -65.1994 PRESSAVG: 4735800 -19.2653 -57.3279 -0.593796 -57.328 34.007 -49.3872 -0.593815 -49.3873 7.95471 GPRESSAVG: 4735800 -20.5811 -58.1582 -2.44699 -60.0883 33.9903 -49.5705 0.0556409 -48.9242 8.82755 TIMING: 4735800 CPU: 14975.5, 0.00315221/step Wall: 14975.5, 0.00315221/step, 0.231337 hours remaining, 235.535156 MB of memory in use. ENERGY: 4735800 3988.0968 20717.3985 14427.1439 270.3052 -203427.1344 2842.7295 0.0000 0.0000 51963.6142 -109217.8464 298.6356 -161181.4606 -108851.0368 299.2911 27.6727 61.0431 760949.7258 7.5655 7.4122 PRESSURE: 4736000 88.7698 222.77 -57.3153 222.769 265.104 -60.9541 -57.3151 -60.9549 239.48 GPRESSURE: 4736000 187.189 153.964 -123.651 156.06 225.897 -91.1656 -26.7516 -45.611 267.2 PRESSAVG: 4736000 -17.5817 -37.5777 -12.4194 -37.5777 -48.4577 -62.3835 -12.4194 -62.3836 -23.3546 GPRESSAVG: 4736000 -18.1741 -36.1925 -11.1635 -37.6237 -48.1329 -62.4066 -12.682 -62.4759 -23.3722 TIMING: 4736000 CPU: 14976.1, 0.00318374/step Wall: 14976.1, 0.00318374/step, 0.233474 hours remaining, 235.535156 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: 4736000 4029.3537 20418.3244 14451.1174 255.0162 -203494.7684 2706.4458 0.0000 0.0000 52353.5183 -109280.9926 300.8764 -161634.5109 -108913.5384 299.5391 197.7847 226.7620 760302.9418 -29.7980 -29.8931 PRESSURE: 4736200 37.1471 -50.7017 90.3623 -50.7009 -84.6319 198.116 90.3632 198.115 129.936 GPRESSURE: 4736200 44.3061 78.0729 64.2522 61.0266 4.90308 268.546 104.767 209.134 119.438 PRESSAVG: 4736200 21.1485 -46.6238 -46.3668 -46.6239 -29.2219 -51.0674 -46.3669 -51.0674 -4.94727 GPRESSAVG: 4736200 21.8294 -46.6409 -45.895 -45.2183 -29.5285 -50.9218 -46.6005 -49.5981 -5.37191 TIMING: 4736200 CPU: 14976.8, 0.00315979/step Wall: 14976.8, 0.00315979/step, 0.231542 hours remaining, 235.535156 MB of memory in use. ENERGY: 4736200 3951.8194 20617.5096 14433.7791 249.6158 -203449.8607 2741.1986 0.0000 0.0000 51982.4968 -109473.4412 298.7441 -161455.9381 -109112.4207 299.1043 27.4838 56.2158 762859.2297 -4.3402 -4.3570 LDB: ============= START OF LOAD BALANCING ============== 14989.3 LDB: ============== END OF LOAD BALANCING =============== 14989.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14989.3 LDB: ============= START OF LOAD BALANCING ============== 14989.6 LDB: Largest compute 7029 load 0.035308 is 18.1% of average load 0.195556 LDB: Average compute 0.004406 is 2.3% of average load 0.195556 LDB: TIME 14989.6 LOAD: AVG 0.195556 MAX 0.215241 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.906 MB LDB: TIME 14989.6 LOAD: AVG 0.195556 MAX 0.215241 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.164 MB LDB: TIME 14989.6 LOAD: AVG 0.195556 MAX 0.215241 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 238.164 MB LDB: ============== END OF LOAD BALANCING =============== 14989.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14989.6 PRESSURE: 4736400 -26.3773 49.2734 217.611 49.2741 275.298 39.4094 217.612 39.41 -129.522 GPRESSURE: 4736400 11.4368 52.3852 222.95 89.5065 214.919 77.751 267.622 -88.6395 -17.8187 PRESSAVG: 4736400 23.4638 12.0305 23.0539 12.0305 -46.7185 -9.06569 23.0539 -9.06573 -13.1444 GPRESSAVG: 4736400 23.8092 11.1822 22.8014 11.0341 -47.4942 -9.01609 21.9579 -10.0606 -12.6894 TIMING: 4736400 CPU: 14977.4, 0.0032285/step Wall: 14977.4, 0.0032285/step, 0.236398 hours remaining, 234.429688 MB of memory in use. ENERGY: 4736400 4008.5647 20442.1226 14481.3462 246.2779 -203830.7922 2948.8455 0.0000 0.0000 52130.3154 -109573.3199 299.5936 -161703.6353 -109202.5965 298.6225 39.7995 69.5122 761157.7938 -12.1330 -12.1248 PRESSURE: 4736600 -36.5431 69.7247 -85.5755 69.7241 -81.5875 -234.697 -85.576 -234.697 -520.13 GPRESSURE: 4736600 66.9027 -31.4091 -102.671 87.8879 -149.536 -188.73 -111.486 -131.723 -467.145 PRESSAVG: 4736600 -21.9584 -4.26301 -34.9656 -4.26305 40.2761 -56.8852 -34.9655 -56.8851 16.0392 GPRESSAVG: 4736600 -22.0774 -4.15913 -34.6197 -3.34911 40.0964 -57.1727 -35.2041 -56.4274 16.5922 TIMING: 4736600 CPU: 14978, 0.00319064/step Wall: 14978, 0.00319064/step, 0.233448 hours remaining, 234.429688 MB of memory in use. ENERGY: 4736600 4011.4269 20643.0114 14557.2858 244.4482 -203258.6306 2489.4279 0.0000 0.0000 51871.2996 -109441.7308 298.1051 -161313.0304 -109073.5795 298.7599 -212.7536 -183.2596 762647.3155 11.4523 11.5371 PRESSURE: 4736800 -184.131 59.2714 111.716 59.2722 354.155 -86.1295 111.716 -86.129 43.1924 GPRESSURE: 4736800 -92.4428 -39.7923 174.843 83.701 319.186 -64.3354 80.1448 -46.5921 42.2033 PRESSAVG: 4736800 -6.00487 1.99354 -40.1809 1.99358 -21.3852 -3.79036 -40.181 -3.79029 6.189 GPRESSAVG: 4736800 -6.36771 3.43816 -40.9696 3.01024 -20.3036 -3.24313 -39.5533 -5.67121 5.25409 TIMING: 4736800 CPU: 14978.7, 0.00317801/step Wall: 14978.7, 0.00317801/step, 0.232348 hours remaining, 234.429688 MB of memory in use. ENERGY: 4736800 3971.4358 20567.2126 14500.3867 219.8221 -203597.2839 2939.4923 0.0000 0.0000 52320.4710 -109078.4635 300.6865 -161398.9345 -108724.8639 298.5619 71.0720 89.6488 762519.9359 -7.0670 -7.1391 PRESSURE: 4737000 461.598 -129.703 -149.403 -129.703 16.3403 48.285 -149.404 48.284 -229.173 GPRESSURE: 4737000 441.751 -70.5181 -91.9807 -185.69 75.3931 25.9475 -110.148 22.7523 -171.508 PRESSAVG: 4737000 72.4063 -70.4432 45.5212 -70.4431 -33.3236 -31.3236 45.5212 -31.3236 4.33577 GPRESSAVG: 4737000 72.0863 -72.2804 45.4666 -72.4134 -33.2644 -30.6157 46.0728 -30.8555 4.59952 TIMING: 4737000 CPU: 14979.3, 0.00317771/step Wall: 14979.3, 0.00317771/step, 0.232149 hours remaining, 234.429688 MB of memory in use. ENERGY: 4737000 3973.7614 20610.2611 14470.1051 245.3070 -202986.2621 2479.5479 0.0000 0.0000 51959.3405 -109247.9390 298.6110 -161207.2795 -108891.6262 299.6970 82.9219 115.2121 762757.4016 14.4728 14.4738 PRESSURE: 4737200 8.78725 70.3703 -41.3996 70.3702 -191.252 -44.49 -41.3999 -44.4913 -280.596 GPRESSURE: 4737200 26.8016 60.1337 37.433 -73.7974 -85.4333 -51.1495 -37.2295 -117.635 -309.948 PRESSAVG: 4737200 -4.93697 -6.37173 58.9877 -6.37163 -57.0472 -53.53 58.9877 -53.53 26.2909 GPRESSAVG: 4737200 -5.64831 -7.24909 59.6357 -7.04043 -56.1127 -55.4306 60.9859 -53.5568 25.4235 TIMING: 4737200 CPU: 14979.9, 0.00317824/step Wall: 14979.9, 0.00317824/step, 0.232011 hours remaining, 234.429688 MB of memory in use. ENERGY: 4737200 4001.9681 20473.1916 14500.4085 242.0754 -203206.5664 2713.3261 0.0000 0.0000 51995.2447 -109280.3521 298.8174 -161275.5968 -108919.2813 299.1316 -154.3534 -122.8599 762147.2800 -11.8978 -12.1125 PRESSURE: 4737400 -255.004 -166.632 -74.1803 -166.63 -50.384 -7.30393 -74.1804 -7.30401 226.17 GPRESSURE: 4737400 -133.418 -218.869 -60.8809 -200.049 -56.8906 -89.672 -24.5816 -44.8359 209.342 PRESSAVG: 4737400 21.7577 -54.0235 77.8167 -54.0235 -36.7086 -25.9286 77.8166 -25.9286 0.823814 GPRESSAVG: 4737400 22.8671 -53.9398 76.8954 -53.5026 -37.2871 -25.8473 76.4377 -24.533 0.558937 TIMING: 4737400 CPU: 14980.6, 0.00317664/step Wall: 14980.6, 0.00317664/step, 0.231718 hours remaining, 234.429688 MB of memory in use. ENERGY: 4737400 3929.4430 20547.4367 14562.4917 258.9896 -203394.1506 2721.6023 0.0000 0.0000 52152.3156 -109221.8717 299.7201 -161374.1873 -108871.6602 299.6955 -26.4059 6.3447 761407.8618 -4.7090 -4.6204 PRESSURE: 4737600 -241.724 3.10434 38.2251 3.10424 -120.626 180.292 38.2252 180.292 238.561 GPRESSURE: 4737600 -142.255 -94.3778 89.619 -96.1829 -109.941 192.507 -59.5792 171.235 203.689 PRESSAVG: 4737600 55.7846 -50.0564 29.0471 -50.0564 -67.0212 28.855 29.0471 28.8551 11.6694 GPRESSAVG: 4737600 55.6098 -50.2919 29.1814 -50.6696 -67.962 29.2956 28.2351 28.7908 12.5899 TIMING: 4737600 CPU: 14981.2, 0.00316169/step Wall: 14981.2, 0.00316169/step, 0.230452 hours remaining, 234.429688 MB of memory in use. ENERGY: 4737600 3969.5709 20595.3221 14558.2103 244.9397 -203443.4887 2585.8090 0.0000 0.0000 52262.1718 -109227.4648 300.3514 -161489.6366 -108862.2903 299.5912 -41.2632 -16.1690 761907.8637 0.1443 0.0792 PRESSURE: 4737800 -319.211 -6.66005 135.979 -6.66066 -150.797 -8.84627 135.98 -8.84614 63.9278 GPRESSURE: 4737800 -253.982 -26.8602 123.788 -84.229 -96.3001 -2.26707 43.4227 -65.8438 36.0228 PRESSAVG: 4737800 23.5969 -36.1848 55.8283 -36.1849 -18.0263 -7.14288 55.8283 -7.14292 10.7371 GPRESSAVG: 4737800 24.9991 -34.4933 56.1691 -34.2815 -19.4904 -6.95972 57.094 -8.16244 10.531 TIMING: 4737800 CPU: 14981.8, 0.00315723/step Wall: 14981.8, 0.00315723/step, 0.229952 hours remaining, 234.429688 MB of memory in use. ENERGY: 4737800 4009.9232 20358.3857 14552.0569 234.2222 -202818.8445 2294.9026 0.0000 0.0000 51989.2080 -109380.1460 298.7827 -161369.3539 -109014.4377 299.5276 -135.3600 -104.7530 761382.5136 5.4359 5.3466 PRESSURE: 4738000 85.2376 -104.116 -68.2248 -104.115 -74.8089 -53.6383 -68.2252 -53.6388 -41.1248 GPRESSURE: 4738000 24.2246 -50.213 -155.323 -203.43 45.8139 -24.667 -66.1027 -44.0462 -27.4113 PRESSAVG: 4738000 67.2372 -19.5201 -43.0542 -19.52 -72.751 26.3772 -43.0541 26.3772 -15.6167 GPRESSAVG: 4738000 64.5929 -19.7535 -44.1446 -19.6625 -69.9554 25.2293 -44.3606 25.4594 -15.8999 TIMING: 4738000 CPU: 14982.5, 0.00315648/step Wall: 14982.5, 0.00315648/step, 0.229722 hours remaining, 234.429688 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: 4738000 3976.2247 20710.0672 14522.7051 251.3993 -203188.5241 2511.9288 0.0000 0.0000 51889.1298 -109327.0693 298.2075 -161216.1990 -108967.8374 299.3190 -10.2320 14.2091 761215.5220 -7.0435 -7.0875 PRESSURE: 4738200 -75.533 -60.9328 -57.8849 -60.9328 -280.245 68.7277 -57.884 68.7262 97.1925 GPRESSURE: 4738200 -43.6697 -38.3284 -101.947 -90.0112 -153.255 109.429 80.118 -29.5243 30.519 PRESSAVG: 4738200 5.61681 15.5517 35.217 15.5516 22.7383 34.4817 35.2171 34.4817 16.5542 GPRESSAVG: 4738200 5.08751 14.4018 35.7086 13.9843 22.9636 34.3911 37.6551 35.3862 16.8411 TIMING: 4738200 CPU: 14983.1, 0.00316187/step Wall: 14983.1, 0.00316187/step, 0.229938 hours remaining, 234.429688 MB of memory in use. ENERGY: 4738200 4038.1473 20652.2641 14483.7338 226.3116 -203302.5716 2325.4332 0.0000 0.0000 52106.9614 -109469.7203 299.4594 -161576.6817 -109117.8641 299.0938 -86.1952 -55.4687 761271.1247 14.9698 14.9641 PRESSURE: 4738400 119.593 -43.9354 107.109 -43.9355 130.623 -57.2212 107.109 -57.2214 179.115 GPRESSURE: 4738400 219.8 -38.7182 64.0445 -64.5797 87.8927 -51.5877 82.1095 -35.5512 203.403 PRESSAVG: 4738400 -15.6319 -45.8216 35.5285 -45.8216 12.7294 0.671652 35.5285 0.671655 -12.864 GPRESSAVG: 4738400 -14.6846 -45.5324 34.0901 -45.4996 13.0796 3.46571 35.6854 -1.43038 -14.3178 TIMING: 4738400 CPU: 14983.7, 0.00316495/step Wall: 14983.7, 0.00316495/step, 0.229986 hours remaining, 234.429688 MB of memory in use. ENERGY: 4738400 3944.2029 20469.3696 14570.9697 249.1468 -203596.3266 2797.9924 0.0000 0.0000 52127.9574 -109436.6878 299.5801 -161564.6452 -109076.5181 299.0575 143.1105 170.3654 761691.6554 -5.2555 -5.3076 PRESSURE: 4738600 -88.7836 -27.3764 145.213 -27.3761 120.976 -13.9395 145.213 -13.9399 -308.545 GPRESSURE: 4738600 -25.1134 41.0224 123.429 -91.4841 116.166 -17.7981 92.847 121.756 -272.284 PRESSAVG: 4738600 23.3363 -21.1788 90.6801 -21.1788 -20.5566 16.7752 90.68 16.7753 -17.1226 GPRESSAVG: 4738600 22.8914 -19.4854 92.9556 -22.036 -22.1215 14.8522 87.762 19.4594 -14.3961 TIMING: 4738600 CPU: 14984.4, 0.00316309/step Wall: 14984.4, 0.00316309/step, 0.229676 hours remaining, 234.429688 MB of memory in use. ENERGY: 4738600 3971.6223 20545.9260 14473.4875 258.6175 -203306.9841 2491.0347 0.0000 0.0000 52278.1842 -109288.1118 300.4434 -161566.2960 -108925.1968 299.1365 -92.1176 -60.4107 762133.1776 -4.7810 -4.5421 PRESSURE: 4738800 -118.653 -43.7219 -169.954 -43.7221 -225.525 -87.117 -169.953 -87.1168 159.648 GPRESSURE: 4738800 -93.7514 5.57943 -160.565 -11.0341 -182.256 -142.851 -69.4788 -16.1582 164.493 PRESSAVG: 4738800 -32.9255 -23.0115 44.3423 -23.0114 -17.0911 -3.21444 44.3423 -3.21442 18.661 GPRESSAVG: 4738800 -31.6631 -24.4454 43.385 -19.885 -16.2038 -3.02129 46.2011 -3.66425 16.5388 TIMING: 4738800 CPU: 14985, 0.00318707/step Wall: 14985, 0.00318707/step, 0.23124 hours remaining, 234.429688 MB of memory in use. ENERGY: 4738800 3989.6704 20553.1936 14592.1806 254.0555 -203615.2243 2662.9613 0.0000 0.0000 52114.4209 -109448.7422 299.5023 -161563.1630 -109080.9668 299.1932 -61.5098 -37.1713 763398.0350 -10.4519 -10.4427 PRESSURE: 4739000 28.856 123.569 150.285 123.569 -516.44 37.2328 150.286 37.2327 -96.4152 GPRESSURE: 4739000 -21.6112 76.5228 114.757 167.939 -433.588 6.04406 76.7808 -41.6141 -46.6368 PRESSAVG: 4739000 12.5467 -40.2076 14.0675 -40.2077 33.3129 8.57448 14.0674 8.57446 20.0755 GPRESSAVG: 4739000 10.3652 -41.1634 14.0941 -42.7916 34.1853 8.42235 12.5367 9.72617 20.354 TIMING: 4739000 CPU: 14985.6, 0.00316583/step Wall: 14985.6, 0.00316583/step, 0.229522 hours remaining, 234.429688 MB of memory in use. ENERGY: 4739000 4023.5539 20446.8079 14508.8745 250.6056 -202869.4455 2249.1172 0.0000 0.0000 52112.0906 -109278.3958 299.4889 -161390.4863 -108919.2830 299.4203 -194.6665 -167.2785 763230.3508 21.9784 21.6349 PRESSURE: 4739200 -362.335 8.87769 107.004 8.87888 -176.17 133.982 107.005 133.983 -204.23 GPRESSURE: 4739200 -275.554 -67.7295 18.0477 -10.3839 -189.533 198.602 146.871 13.0538 -184.709 PRESSAVG: 4739200 28.8664 14.8655 11.9055 14.8655 -48.2218 2.32443 11.9055 2.32449 -3.68341 GPRESSAVG: 4739200 29.1441 14.4937 11.6421 16.5593 -48.7961 4.06307 12.2748 -1.69772 -3.51781 TIMING: 4739200 CPU: 14986.3, 0.00317646/step Wall: 14986.3, 0.00317646/step, 0.230117 hours remaining, 234.429688 MB of memory in use. ENERGY: 4739200 4053.6517 20419.5279 14529.4236 262.2025 -203165.5346 2531.9755 0.0000 0.0000 52037.2252 -109331.5282 299.0586 -161368.7534 -108976.6852 299.3308 -247.5782 -216.5983 763368.5962 -7.6796 -7.7233 PRESSURE: 4739400 91.593 -119.597 116.208 -119.597 9.9519 -80.359 116.208 -80.3595 223.43 GPRESSURE: 4739400 116.374 -127.173 97.4558 -82.905 51.0476 -88.7654 122.843 -171.651 268.467 PRESSAVG: 4739400 18.0674 -4.40803 33.5787 -4.40811 -41.3801 -30.9073 33.5787 -30.9073 -1.06357 GPRESSAVG: 4739400 19.7701 -1.81044 34.0523 -6.55824 -42.1679 -31.6625 34.3697 -30.1759 -1.4908 TIMING: 4739400 CPU: 14986.9, 0.00316636/step Wall: 14986.9, 0.00316636/step, 0.229209 hours remaining, 234.429688 MB of memory in use. ENERGY: 4739400 3991.0184 20437.4802 14449.6909 251.2546 -203370.7466 2942.4534 0.0000 0.0000 52043.5401 -109255.3091 299.0949 -161298.8491 -108887.7390 299.1228 108.3251 145.2964 761494.0102 -8.1254 -7.9629 PRESSURE: 4739600 359.427 -107.842 -96.5446 -107.842 -328.792 118.546 -96.5445 118.545 -115.524 GPRESSURE: 4739600 388.653 -102.084 -63.0106 -86.9088 -321.022 96.1862 -41.9792 147.921 -77.6871 PRESSAVG: 4739600 40.7274 -29.8571 -6.47224 -29.8571 -35.6089 -5.19186 -6.47221 -5.19194 -1.36441 GPRESSAVG: 4739600 39.7713 -29.9868 -5.77072 -29.595 -35.5087 -5.08097 -6.32638 -5.78771 -0.951029 TIMING: 4739600 CPU: 14987.5, 0.0031758/step Wall: 14987.5, 0.0031758/step, 0.229716 hours remaining, 234.429688 MB of memory in use. ENERGY: 4739600 4030.8659 20489.3377 14393.6803 246.0211 -203108.6508 2524.8455 0.0000 0.0000 51893.1607 -109530.7394 298.2307 -161423.9001 -109171.4201 299.0474 -28.2961 -3.3520 762193.1521 1.2514 1.1038 PRESSURE: 4739800 86.4629 31.0414 57.0986 31.0414 -88.9159 42.328 57.0984 42.3289 151.632 GPRESSURE: 4739800 196.671 -93.0976 -8.03482 -80.4527 -123.613 72.967 -44.1625 52.2092 138.684 PRESSAVG: 4739800 -11.8677 -30.0191 15.8472 -30.0192 -16.8766 -39.3944 15.8472 -39.3945 11.7094 GPRESSAVG: 4739800 -10.1853 -29.8103 16.6359 -31.667 -17.918 -40.192 15.313 -38.4533 11.2555 TIMING: 4739800 CPU: 14988.2, 0.00317914/step Wall: 14988.2, 0.00317914/step, 0.229781 hours remaining, 234.429688 MB of memory in use. ENERGY: 4739800 3961.0128 20575.0743 14411.9422 255.0706 -203133.3303 2567.7827 0.0000 0.0000 51873.3153 -109489.1324 298.1167 -161362.4477 -109132.3461 299.0449 49.7264 70.5809 761898.0091 -5.6783 -5.6159 PRESSURE: 4740000 525.209 26.0896 121.193 26.0902 -60.0452 89.0683 121.193 89.0693 98.263 GPRESSURE: 4740000 493.515 18.416 89.7101 7.32397 21.974 58.7956 150.627 33.1887 116.644 PRESSAVG: 4740000 68.2499 -46.4386 39.3206 -46.4387 -7.99693 -43.9751 39.3207 -43.9752 42.6545 GPRESSAVG: 4740000 66.1146 -48.1065 38.5175 -45.0751 -6.27879 -43.1347 39.4115 -45.5954 43.3019 TIMING: 4740000 CPU: 14988.8, 0.00315164/step Wall: 14988.8, 0.00315164/step, 0.227619 hours remaining, 234.429688 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: 4740000 3985.8173 20619.8704 14485.6431 250.2095 -203281.9767 2430.4227 0.0000 0.0000 51988.9700 -109521.0437 298.7813 -161510.0137 -109164.6090 299.1054 187.8088 210.7109 759228.7992 34.3025 34.3793 PRESSURE: 4740200 -17.8195 -63.5491 63.4118 -63.5492 -25.9296 -56.0017 63.412 -56.0025 25.2807 GPRESSURE: 4740200 -19.9428 -61.2405 135.383 -33.1202 43.5367 -6.3334 102.624 -78.7836 56.3464 PRESSAVG: 4740200 70.693 -23.5525 -13.1656 -23.5526 -68.5728 -27.9038 -13.1656 -27.9038 -2.99204 GPRESSAVG: 4740200 70.9816 -23.3138 -14.9197 -22.8717 -68.3705 -28.6575 -12.6385 -25.4882 -2.84852 TIMING: 4740200 CPU: 14989.4, 0.00315944/step Wall: 14989.4, 0.00315944/step, 0.228007 hours remaining, 234.429688 MB of memory in use. ENERGY: 4740200 3948.4290 20564.3009 14509.1925 259.2637 -202980.7738 2363.8263 0.0000 0.0000 51820.5247 -109515.2367 297.8133 -161335.7614 -109150.4499 298.9038 -6.1562 26.6468 762277.7598 -0.2906 -0.0792 LDB: ============= START OF LOAD BALANCING ============== 15002 LDB: ============== END OF LOAD BALANCING =============== 15002 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15002 LDB: ============= START OF LOAD BALANCING ============== 15002.3 LDB: Largest compute 7076 load 0.033781 is 17.3% of average load 0.195629 LDB: Average compute 0.004386 is 2.2% of average load 0.195629 LDB: TIME 15002.3 LOAD: AVG 0.195629 MAX 0.213294 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.84 MB LDB: TIME 15002.3 LOAD: AVG 0.195629 MAX 0.213294 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: TIME 15002.3 LOAD: AVG 0.195629 MAX 0.213294 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.844 MB LDB: ============== END OF LOAD BALANCING =============== 15002.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15002.3 PRESSURE: 4740400 266.642 -83.7864 45.4008 -83.7874 -188.66 8.80258 45.4005 8.80382 210.806 GPRESSURE: 4740400 260.567 -99.3999 77.9341 -70.709 -87.8598 -63.0777 47.54 6.66441 202.047 PRESSAVG: 4740400 61.4946 -92.3477 -0.222678 -92.3477 -45.4501 -89.1254 -0.222656 -89.1254 46.2864 GPRESSAVG: 4740400 62.4899 -90.7759 0.654684 -92.2341 -46.5229 -89.8127 -0.695398 -88.276 45.7158 TIMING: 4740400 CPU: 14990.1, 0.00321387/step Wall: 14990.1, 0.00321387/step, 0.231755 hours remaining, 235.441406 MB of memory in use. ENERGY: 4740400 3984.6168 20515.7109 14457.9694 247.1333 -203265.1965 2702.3924 0.0000 0.0000 52055.8387 -109301.5350 299.1656 -161357.3736 -108948.5328 298.8395 96.2628 124.9181 761055.2546 20.7769 20.5609 PRESSURE: 4740600 -192.085 -346.313 246.958 -346.313 284.837 253.547 246.958 253.548 -200.186 GPRESSURE: 4740600 -48.459 -228.523 242.416 -290.049 216.785 275.351 331.688 251.444 -176.127 PRESSAVG: 4740600 -11.6887 -62.1079 76.1167 -62.1079 -8.57279 -50.6763 76.1166 -50.6763 3.19521 GPRESSAVG: 4740600 -12.2401 -63.5231 74.6679 -62.702 -7.75447 -50.6419 76.1762 -50.6136 2.58565 TIMING: 4740600 CPU: 14990.7, 0.00316588/step Wall: 14990.7, 0.00316588/step, 0.228119 hours remaining, 235.441406 MB of memory in use. ENERGY: 4740600 3962.1225 20404.4654 14416.2056 246.1788 -203253.0054 2595.0639 0.0000 0.0000 52217.1477 -109411.8215 300.0927 -161628.9692 -109049.0187 299.6428 -35.8112 -2.6004 763784.0811 -5.6888 -5.8030 PRESSURE: 4740800 -52.7075 -35.1988 75.22 -35.1978 73.6587 -144.314 75.2206 -144.313 191.395 GPRESSURE: 4740800 -132.739 57.1105 72.4238 -3.35155 136.665 -125.581 82.8528 -22.9727 291.203 PRESSAVG: 4740800 27.496 -44.9215 25.2516 -44.9215 -2.85395 -20.6947 25.2515 -20.6947 2.52306 GPRESSAVG: 4740800 26.605 -44.1761 26.6972 -45.0505 -3.80146 -19.8311 25.3636 -19.5509 4.73963 TIMING: 4740800 CPU: 14991.4, 0.00317675/step Wall: 14991.4, 0.00317675/step, 0.228726 hours remaining, 235.441406 MB of memory in use. ENERGY: 4740800 3851.5302 20595.3391 14389.8816 247.4946 -203125.4636 2437.3760 0.0000 0.0000 52275.9280 -109327.9142 300.4305 -161603.8422 -108950.6839 299.2532 70.7819 98.3765 761750.2107 9.0550 9.1811 PRESSURE: 4741000 -164.658 -1.66802 -139.683 -1.66923 -28.8792 -41.7301 -139.683 -41.7297 284.664 GPRESSURE: 4741000 -102.867 -72.1391 -185.781 -35.2632 -1.23251 -94.478 -208.728 -62.7724 265.153 PRESSAVG: 4741000 -18.2691 -87.7868 -27.1241 -87.7868 7.52055 -52.4123 -27.1241 -52.4123 -14.1255 GPRESSAVG: 4741000 -16.5122 -87.6564 -27.554 -88.4469 7.63043 -51.8743 -26.4689 -53.5005 -15.9547 TIMING: 4741000 CPU: 14992, 0.00315293/step Wall: 14992, 0.00315293/step, 0.226836 hours remaining, 235.441406 MB of memory in use. ENERGY: 4741000 3979.7084 20626.6753 14462.8012 249.2529 -203356.3904 2806.6985 0.0000 0.0000 51960.9402 -109270.3139 298.6202 -161231.2541 -108906.7541 299.1804 30.3757 53.6844 763566.1403 -8.2914 -8.2788 PRESSURE: 4741200 -225.689 -19.4277 -32.4955 -19.429 181.287 -221.307 -32.4956 -221.307 327.13 GPRESSURE: 4741200 -226.679 -96.1334 68.3836 -16.3443 256.27 -179.499 -70.4262 -125.706 361.264 PRESSAVG: 4741200 -47.6716 -74.3607 29.5148 -74.3606 28.2537 -21.6944 29.5148 -21.6943 -6.03387 GPRESSAVG: 4741200 -50.2584 -74.6992 30.4183 -73.6716 30.0098 -21.2363 27.0849 -21.6702 -5.05954 TIMING: 4741200 CPU: 14992.6, 0.00318623/step Wall: 14992.6, 0.00318623/step, 0.229054 hours remaining, 235.441406 MB of memory in use. ENERGY: 4741200 3945.3705 20522.5548 14460.5073 252.4889 -203032.1240 2555.6984 0.0000 0.0000 51759.0349 -109536.4692 297.4599 -161295.5042 -109171.7068 298.6056 94.2424 130.2849 762393.2423 -8.4839 -8.4361 PRESSURE: 4741400 -146.262 -155.724 22.7767 -155.724 -117.263 158.304 22.7759 158.306 388.831 GPRESSURE: 4741400 -34.2952 -145.612 8.85077 -34.4607 -221.123 106.133 62.079 153.012 442.989 PRESSAVG: 4741400 -28.6903 -28.8602 17.969 -28.8601 40.5894 -31.538 17.969 -31.5379 6.6954 GPRESSAVG: 4741400 -27.3783 -29.1631 18.5901 -28.303 38.9886 -32.0508 18.4049 -31.6591 6.4765 TIMING: 4741400 CPU: 14993.3, 0.00320077/step Wall: 14993.3, 0.00320077/step, 0.229922 hours remaining, 235.441406 MB of memory in use. ENERGY: 4741400 3963.0721 20606.5620 14552.1310 228.6600 -203646.4342 2658.7285 0.0000 0.0000 52091.8288 -109545.4517 299.3725 -161637.2806 -109184.9936 298.6186 41.7688 62.5236 760485.2084 6.1982 6.0289 PRESSURE: 4741600 130.744 211.209 78.5196 211.21 7.21092 175.452 78.5198 175.452 -177.706 GPRESSURE: 4741600 176.807 123.695 53.2148 95.9006 62.4774 90.1967 8.46694 28.3235 -193.211 PRESSAVG: 4741600 5.90501 -44.4808 -25.6834 -44.4808 -6.56459 28.9378 -25.6834 28.9379 -19.0746 GPRESSAVG: 4741600 5.74896 -45.7973 -27.5993 -44.1611 -5.64739 29.671 -23.4907 29.0635 -19.9566 TIMING: 4741600 CPU: 14993.9, 0.00317191/step Wall: 14993.9, 0.00317191/step, 0.227673 hours remaining, 235.441406 MB of memory in use. ENERGY: 4741600 4023.1502 20542.6930 14520.4450 244.9309 -203633.3105 2804.2141 0.0000 0.0000 51916.3106 -109581.5668 298.3638 -161497.8773 -109221.3063 298.8273 -13.2504 15.3579 760306.9665 -6.5781 -6.6183 PRESSURE: 4741800 -74.8285 189.356 148.096 189.355 90.9702 182.12 148.096 182.119 212.688 GPRESSURE: 4741800 62.4896 109.964 30.6261 84.7826 51.0652 105.657 29.9038 104.877 208.323 PRESSAVG: 4741800 27.6513 -44.103 -10.5538 -44.1029 -27.5124 43.0191 -10.5538 43.019 9.11837 GPRESSAVG: 4741800 28.4209 -44.6577 -8.76853 -46.4364 -28.2258 42.218 -13.1272 42.0049 9.45954 TIMING: 4741800 CPU: 14994.5, 0.003184/step Wall: 14994.5, 0.003184/step, 0.228363 hours remaining, 235.441406 MB of memory in use. ENERGY: 4741800 4041.7670 20266.1990 14467.8641 241.2849 -203677.7241 2707.6709 0.0000 0.0000 52224.1090 -109728.8293 300.1327 -161952.9384 -109369.7877 298.8093 76.2764 107.2925 760362.7250 3.0857 3.2182 PRESSURE: 4742000 -104.941 -264.91 -24.7716 -264.91 -476.381 -140.19 -24.7718 -140.19 -172.003 GPRESSURE: 4742000 -165.02 -258.545 36.6837 -136.771 -417.672 -60.3947 -39.2996 -178.541 -84.8514 PRESSAVG: 4742000 -21.0093 50.5393 5.80556 50.5393 61.0248 3.85921 5.80554 3.85922 4.14289 GPRESSAVG: 4742000 -23.2504 53.7632 6.09778 52.0324 60.8969 4.42162 6.02439 3.10042 5.69616 TIMING: 4742000 CPU: 14995.2, 0.00319411/step Wall: 14995.2, 0.00319412/step, 0.228912 hours remaining, 235.441406 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: 4742000 4003.8333 20468.9052 14436.4176 239.9013 -203121.2851 2316.0717 0.0000 0.0000 51880.1988 -109775.9571 298.1562 -161656.1559 -109417.3205 297.9848 -251.1082 -222.5146 760662.5018 14.7194 14.4475 PRESSURE: 4742200 -262.413 -157.541 -12.6729 -157.541 33.1859 109.287 -12.6733 109.287 422.39 GPRESSURE: 4742200 -213.006 -230.384 -25.8148 -86.2945 75.0075 124.653 161.547 107.405 415.334 PRESSAVG: 4742200 33.0268 -38.3688 38.1004 -38.3688 -14.1398 32.2676 38.1003 32.2676 -14.5009 GPRESSAVG: 4742200 33.988 -41.2557 36.3234 -37.0795 -14.278 32.1011 41.2097 32.3101 -15.2709 TIMING: 4742200 CPU: 14995.8, 0.00316424/step Wall: 14995.8, 0.00316424/step, 0.226595 hours remaining, 235.441406 MB of memory in use. ENERGY: 4742200 4002.6971 20485.9769 14393.7598 249.3521 -203177.1955 2546.3925 0.0000 0.0000 51844.0288 -109654.9882 297.9483 -161499.0170 -109292.1955 298.7411 64.3876 92.4450 760751.2758 1.4620 1.4797 PRESSURE: 4742400 -77.1424 -151.831 29.6024 -151.83 65.7728 103.394 29.602 103.395 286.221 GPRESSURE: 4742400 2.56223 -52.8356 45.9055 -61.7906 74.3858 106.367 119.661 93.0604 282.443 PRESSAVG: 4742400 2.74206 -16.4353 32.5673 -16.4354 -30.4895 -22.697 32.5674 -22.697 12.5241 GPRESSAVG: 4742400 3.35712 -14.6033 31.7034 -18.1103 -29.9937 -21.7608 31.9757 -20.95 11.1946 TIMING: 4742400 CPU: 14996.4, 0.00318404/step Wall: 14996.4, 0.00318404/step, 0.227835 hours remaining, 235.441406 MB of memory in use. ENERGY: 4742400 4036.6510 20587.3080 14426.1177 240.1555 -203167.5529 2510.4946 0.0000 0.0000 51755.7292 -109611.0967 297.4409 -161366.8259 -109249.3715 298.6498 91.6170 119.7970 762612.7716 -5.0744 -5.1473 PRESSURE: 4742600 141.25 16.0069 -217.084 16.007 55.1347 -104.381 -217.084 -104.38 -51.2129 GPRESSURE: 4742600 134.991 -93.4444 -154.78 -104.452 89.3743 -177.084 -244.434 -72.9579 21.7794 PRESSAVG: 4742600 11.5207 -28.5329 31.3425 -28.5329 20.3663 30.8922 31.3424 30.8922 -4.43336 GPRESSAVG: 4742600 11.9174 -28.4994 33.6702 -30.3834 18.5211 28.8678 30.17 29.9883 -3.02339 TIMING: 4742600 CPU: 14997.1, 0.0031576/step Wall: 14997.1, 0.0031576/step, 0.225769 hours remaining, 235.441406 MB of memory in use. ENERGY: 4742600 3999.2522 20519.1578 14461.5196 226.4089 -203525.4798 2802.6289 0.0000 0.0000 51815.7510 -109700.7613 297.7858 -161516.5123 -109346.1245 298.7303 48.3905 82.0484 761326.3336 9.1512 9.1384 PRESSURE: 4742800 -253.893 47.1632 4.04693 47.1629 45.769 205.066 4.04707 205.067 -311.372 GPRESSURE: 4742800 -117.311 62.9547 -3.0706 180.54 36.6694 185.605 -21.588 296.085 -358.385 PRESSAVG: 4742800 35.472 1.94307 27.8254 1.9431 -2.77035 -25.331 27.8254 -25.331 11.7626 GPRESSAVG: 4742800 35.4113 1.44625 29.1684 3.52796 -1.40418 -24.067 27.0076 -25.9386 10.6832 TIMING: 4742800 CPU: 14997.7, 0.00316937/step Wall: 14997.7, 0.00316937/step, 0.226434 hours remaining, 235.441406 MB of memory in use. ENERGY: 4742800 3997.0906 20399.9306 14490.9274 234.2747 -203281.7010 2262.6714 0.0000 0.0000 52012.1872 -109884.6192 298.9148 -161896.8064 -109514.3767 298.7109 -173.1655 -146.3421 762081.3896 14.8214 14.8968 PRESSURE: 4743000 114.533 47.7207 -144.353 47.7204 107.909 46.6978 -144.353 46.6988 298.769 GPRESSURE: 4743000 133.392 262.562 -169.041 55.8492 136.887 95.8995 -309.961 -13.5053 334.287 PRESSAVG: 4743000 -17.2023 -4.83058 3.54299 -4.83061 36.9158 -15.6786 3.54303 -15.6786 -34.1427 GPRESSAVG: 4743000 -16.3446 -4.36882 1.51957 -5.10892 36.1484 -13.9547 4.01332 -15.3314 -34.254 TIMING: 4743000 CPU: 14998.3, 0.0031635/step Wall: 14998.3, 0.00316351/step, 0.225839 hours remaining, 235.441406 MB of memory in use. ENERGY: 4743000 3844.6561 20512.2889 14422.2723 246.0674 -203425.4269 2685.5860 0.0000 0.0000 52050.1340 -109664.4222 299.1328 -161714.5562 -109299.4144 297.8322 173.7371 201.5222 764356.6372 -4.8097 -4.8167 PRESSURE: 4743200 213.817 88.6751 -65.1407 88.6748 384.057 -27.3483 -65.1412 -27.3481 -68.4696 GPRESSURE: 4743200 294.35 115.813 -52.0255 -60.776 394.851 20.4969 -135.461 1.26045 -79.4919 PRESSAVG: 4743200 1.91447 -15.9009 -9.61741 -15.9009 59.3016 -37.7113 -9.61743 -37.7113 22.7829 GPRESSAVG: 4743200 2.06668 -16.2101 -9.9199 -15.3712 58.5501 -39.632 -11.2564 -34.2287 23.1227 TIMING: 4743200 CPU: 14999, 0.00316403/step Wall: 14999, 0.00316403/step, 0.2257 hours remaining, 235.441406 MB of memory in use. ENERGY: 4743200 4038.1542 20518.2360 14464.5135 256.7176 -204046.8769 2891.9911 0.0000 0.0000 52283.6843 -109593.5803 300.4751 -161877.2646 -109232.7399 298.7601 176.4681 203.2363 759739.1046 27.9997 27.9132 PRESSURE: 4743400 206.282 249.244 36.5095 249.244 109.267 -180.069 36.5105 -180.069 -117.281 GPRESSURE: 4743400 200.641 200.954 108.518 167.733 200.904 -130.674 72.9273 -276.581 -119.424 PRESSAVG: 4743400 -16.5619 -33.9049 12.6972 -33.9049 -30.238 -11.6531 12.6972 -11.6533 -10.18 GPRESSAVG: 4743400 -17.646 -33.778 14.0235 -33.5846 -28.849 -12.8559 13.5872 -13.6208 -10.0946 TIMING: 4743400 CPU: 14999.6, 0.0031686/step Wall: 14999.6, 0.0031686/step, 0.225851 hours remaining, 235.441406 MB of memory in use. ENERGY: 4743400 3987.4889 20491.2468 14488.3398 234.5453 -203405.5647 2498.8618 0.0000 0.0000 52136.5190 -109568.5629 299.6293 -161705.0820 -109204.0693 298.6452 66.0894 94.0401 763626.0869 -18.9933 -18.8632 PRESSURE: 4743600 4.17646 -48.7397 53.4693 -48.7404 73.9352 125.201 53.4698 125.201 77.8014 GPRESSURE: 4743600 65.1912 -181.123 76.3181 -68.004 76.6264 112.046 41.8668 180.479 146.828 PRESSAVG: 4743600 -2.32174 -4.46728 -1.18966 -4.46728 -7.96257 -27.833 -1.18969 -27.8331 -21.63 GPRESSAVG: 4743600 -3.13521 -6.26696 -2.33649 -4.63238 -7.18902 -27.2043 -1.02051 -27.9715 -21.4977 TIMING: 4743600 CPU: 15000.2, 0.00315849/step Wall: 15000.2, 0.00315849/step, 0.224955 hours remaining, 235.441406 MB of memory in use. ENERGY: 4743600 3932.6042 20546.7480 14413.8908 246.4919 -202904.3895 2514.4320 0.0000 0.0000 51568.8412 -109681.3813 296.3668 -161250.2226 -109316.5860 298.8060 51.9710 96.2152 763304.0827 -10.6381 -10.6073 PRESSURE: 4743800 203.075 -12.2541 65.2596 -12.2543 292.778 -101.638 65.2594 -101.638 -35.9454 GPRESSURE: 4743800 244.244 -71.0726 -40.4754 -77.1316 342.236 -22.7234 99.3264 -92.7538 -34.2248 PRESSAVG: 4743800 -13.1452 -10.026 -2.2698 -10.026 16.2285 -38.2718 -2.2698 -38.2718 3.38526 GPRESSAVG: 4743800 -11.5039 -7.71077 -1.85963 -11.3158 14.3577 -38.5414 -1.80406 -38.4973 3.17257 TIMING: 4743800 CPU: 15000.9, 0.00316534/step Wall: 15000.9, 0.00316534/step, 0.225267 hours remaining, 235.441406 MB of memory in use. ENERGY: 4743800 3974.4345 20387.4378 14457.2200 247.9674 -203636.9964 2924.7350 0.0000 0.0000 51890.8630 -109754.3387 298.2175 -161645.2017 -109393.9829 298.1412 153.3027 184.0848 760723.8330 2.1562 2.0088 PRESSURE: 4744000 151.928 -138.499 -124.823 -138.499 106.418 -120.728 -124.824 -120.727 -255.139 GPRESSURE: 4744000 107.063 -8.33985 -142.64 -173.513 193.501 -101.812 -8.4821 -123.201 -221.261 PRESSAVG: 4744000 -21.9839 -10.0973 -30.8094 -10.0973 1.04335 -25.2181 -30.8093 -25.2181 -7.84604 GPRESSAVG: 4744000 -22.5369 -11.9891 -29.4222 -8.36133 2.22158 -25.0188 -31.1833 -26.9135 -8.1727 TIMING: 4744000 CPU: 15001.5, 0.00317578/step Wall: 15001.5, 0.00317578/step, 0.225833 hours remaining, 235.441406 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: 4744000 3951.1474 20492.0357 14438.6826 235.5823 -203392.5164 2517.3201 0.0000 0.0000 52000.3352 -109757.4132 298.8466 -161757.7484 -109394.1268 298.0972 1.0690 26.4345 761001.1089 -9.5955 -9.4960 PRESSURE: 4744200 -78.2323 5.71467 -63.7534 5.71542 -285.976 -111.409 -63.7534 -111.408 -411.902 GPRESSURE: 4744200 -114.792 -3.76907 -86.288 -92.2668 -230.487 -112.584 -92.7075 -246.233 -348.753 PRESSAVG: 4744200 -31.771 -32.9859 2.66158 -32.986 25.0105 -62.5076 2.66157 -62.5076 -6.20714 GPRESSAVG: 4744200 -31.9921 -32.1801 1.77258 -32.8821 24.6398 -62.5533 2.06094 -61.7888 -5.63242 TIMING: 4744200 CPU: 15002.1, 0.00315727/step Wall: 15002.1, 0.00315727/step, 0.224341 hours remaining, 235.441406 MB of memory in use. ENERGY: 4744200 3969.8731 20322.5060 14424.1004 240.9008 -202751.9367 2089.6845 0.0000 0.0000 52092.5020 -109612.3698 299.3763 -161704.8718 -109243.3548 298.3162 -258.7033 -231.3438 761832.2663 -4.3225 -4.3283 LDB: ============= START OF LOAD BALANCING ============== 15014.7 LDB: ============== END OF LOAD BALANCING =============== 15014.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15014.7 LDB: ============= START OF LOAD BALANCING ============== 15015 LDB: Largest compute 7057 load 0.033200 is 17.0% of average load 0.195616 LDB: Average compute 0.004389 is 2.2% of average load 0.195616 LDB: TIME 15015 LOAD: AVG 0.195616 MAX 0.216548 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.91 MB LDB: TIME 15015 LOAD: AVG 0.195616 MAX 0.216548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: TIME 15015 LOAD: AVG 0.195616 MAX 0.216548 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.113 MB LDB: ============== END OF LOAD BALANCING =============== 15015 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15015 PRESSURE: 4744400 -418.267 96.6067 65.8123 96.6056 -343.468 -103.029 65.8125 -103.029 -20.5746 GPRESSURE: 4744400 -322.063 -29.0391 -13.2427 9.70367 -329.082 -130.802 -119.399 -145.795 -42.2289 PRESSAVG: 4744400 4.64652 -27.2139 6.49407 -27.2139 37.0263 -41.5875 6.49412 -41.5875 -9.38824 GPRESSAVG: 4744400 5.2906 -27.4376 7.24527 -26.8794 36.8272 -40.4669 5.99433 -40.9646 -9.41917 TIMING: 4744400 CPU: 15002.8, 0.00324767/step Wall: 15002.8, 0.00324767/step, 0.230584 hours remaining, 234.988281 MB of memory in use. ENERGY: 4744400 4017.0647 20330.7818 14541.1262 248.9390 -202927.0335 2288.1649 0.0000 0.0000 51831.0908 -109669.8661 297.8740 -161500.9569 -109304.9116 298.3993 -260.7697 -231.1245 762368.5893 10.7615 10.8995 PRESSURE: 4744600 267.262 -51.6766 -274.08 -51.6773 52.1013 122.999 -274.08 122.999 -493.77 GPRESSURE: 4744600 210.463 -7.80027 -332.801 -135.792 188.944 202.117 -127.95 92.7444 -479.671 PRESSAVG: 4744600 -14.1375 -31.3407 -3.83618 -31.3407 -28.7675 18.3738 -3.83624 18.3737 10.257 GPRESSAVG: 4744600 -14.428 -30.3752 -6.41919 -32.3242 -27.5848 17.5655 -2.74219 17.8498 9.37992 TIMING: 4744600 CPU: 15003.4, 0.00318796/step Wall: 15003.4, 0.00318796/step, 0.226168 hours remaining, 235.433594 MB of memory in use. ENERGY: 4744600 3996.7899 20325.5136 14476.2491 263.6633 -202970.1722 2442.1413 0.0000 0.0000 51826.0506 -109639.7644 297.8450 -161465.8150 -109280.3139 297.9826 -58.1357 -26.7548 761249.8053 -10.8827 -10.8776 PRESSURE: 4744800 -264.318 5.98725 134.054 5.9881 125.711 24.6489 134.054 24.6491 -25.0872 GPRESSURE: 4744800 -166.333 -56.0095 112.13 41.8528 76.1691 48.2861 119.611 53.3615 2.52708 PRESSAVG: 4744800 -50.4566 -0.427381 -6.03829 -0.427393 69.4299 -28.6856 -6.03832 -28.6856 0.618501 GPRESSAVG: 4744800 -50.2753 -2.49139 -4.60622 1.641 69.2475 -27.6963 -4.52949 -29.2342 0.509976 TIMING: 4744800 CPU: 15004.1, 0.00317445/step Wall: 15004.1, 0.00317445/step, 0.225033 hours remaining, 235.636719 MB of memory in use. ENERGY: 4744800 3942.2536 20389.5896 14500.6905 243.4245 -202885.7077 2413.2315 0.0000 0.0000 51986.3085 -109410.2095 298.7660 -161396.5180 -109065.1880 298.8596 -54.5648 -29.2123 762777.3755 6.5306 6.4941 PRESSURE: 4745000 -581.907 -21.4561 -38.3784 -21.4551 -158.729 50.2276 -38.378 50.2278 -230.296 GPRESSURE: 4745000 -590.155 -117.766 15.2715 61.5638 -100.643 -16.3606 -45.7534 62.368 -202.311 PRESSAVG: 4745000 -57.0916 -4.23193 -29.9043 -4.2319 -15.474 -22.7639 -29.9043 -22.764 15.178 GPRESSAVG: 4745000 -57.647 -2.28144 -29.7924 -5.48951 -15.7456 -23.2947 -32.3284 -22.1886 15.6038 TIMING: 4745000 CPU: 15004.7, 0.0031737/step Wall: 15004.7, 0.0031737/step, 0.224804 hours remaining, 235.636719 MB of memory in use. ENERGY: 4745000 3951.9472 20452.9684 14521.4143 273.3214 -202589.1305 2044.7636 0.0000 0.0000 51981.3743 -109363.3414 298.7377 -161344.7156 -108996.1301 299.0807 -323.6440 -297.7031 763329.0800 -19.1292 -19.2629 PRESSURE: 4745200 -421.6 -186.466 134.397 -186.467 -131.393 93.6285 134.397 93.6278 -7.81715 GPRESSURE: 4745200 -310.164 -91.9277 191.778 -103.362 -180.943 84.8847 121.642 184.049 19.5152 PRESSAVG: 4745200 -14.366 -53.1337 -52.4476 -53.1337 -5.66084 -16.2459 -52.4475 -16.2458 7.34755 GPRESSAVG: 4745200 -15.3117 -52.6753 -51.8019 -55.4733 -4.87245 -17.6716 -51.7999 -16.6735 7.91938 TIMING: 4745200 CPU: 15005.3, 0.00318284/step Wall: 15005.3, 0.00318284/step, 0.225274 hours remaining, 235.636719 MB of memory in use. ENERGY: 4745200 4012.8764 20467.6295 14489.6424 256.5614 -203347.9110 2678.6397 0.0000 0.0000 52185.8394 -109256.7222 299.9127 -161442.5616 -108893.5468 299.1197 -186.9367 -157.1974 762787.6112 -4.2264 -4.0883 PRESSURE: 4745400 -159.744 -96.206 70.9578 -96.2067 -51.9258 -78.6327 70.9577 -78.6333 -51.6507 GPRESSURE: 4745400 -161.227 -48.3375 2.16856 -53.8941 11.0467 -0.746404 -30.8467 -131.055 -19.519 PRESSAVG: 4745400 -39.5883 6.76199 30.6397 6.76201 22.226 10.0597 30.6397 10.0597 1.19914 GPRESSAVG: 4745400 -38.5947 7.7466 29.9415 8.63567 21.0586 10.9258 28.7597 10.3321 1.5825 TIMING: 4745400 CPU: 15006, 0.003205/step Wall: 15006, 0.003205/step, 0.226665 hours remaining, 235.636719 MB of memory in use. ENERGY: 4745400 3987.7183 20514.9055 14444.7984 239.2445 -203285.1813 2746.6025 0.0000 0.0000 52140.7736 -109211.1384 299.6537 -161351.9120 -108849.7704 299.4774 -87.7734 -56.5665 762738.8363 -5.3877 -5.3179 PRESSURE: 4745600 77.5602 -121.825 -57.4755 -121.825 -0.159361 -55.3477 -57.475 -55.3476 236.458 GPRESSURE: 4745600 120.074 -119.149 -104.695 -120.252 -4.76147 -126.644 -19.0938 4.96383 276.555 PRESSAVG: 4745600 -5.78752 17.9029 23.5145 17.9029 15.9755 -9.31245 23.5146 -9.31244 -1.75143 GPRESSAVG: 4745600 -5.50925 17.5421 23.0352 17.1965 16.3752 -9.49341 25.5413 -9.33313 -2.20473 TIMING: 4745600 CPU: 15006.6, 0.00317155/step Wall: 15006.6, 0.00317155/step, 0.224123 hours remaining, 235.636719 MB of memory in use. ENERGY: 4745600 3999.0611 20337.8781 14476.0568 236.2117 -203255.0356 2630.1706 0.0000 0.0000 52135.2467 -109440.4106 299.6220 -161575.6573 -109067.4173 299.5245 104.6195 130.6223 762008.7735 2.8122 2.8871 PRESSURE: 4745800 -14.9336 7.34586 181.782 7.34543 45.7841 -43.8593 181.782 -43.8585 -508.934 GPRESSURE: 4745800 113.285 60.9069 152.474 4.61617 -21.147 -31.3501 181.618 59.976 -475.798 PRESSAVG: 4745800 -58.6364 5.03084 30.5535 5.03085 16.4784 2.40495 30.5535 2.40485 -19.8932 GPRESSAVG: 4745800 -57.5092 2.36373 30.1491 8.27418 15.105 -0.140652 28.8809 4.49976 -19.9563 TIMING: 4745800 CPU: 15007.3, 0.00321674/step Wall: 15007.3, 0.00321674/step, 0.227137 hours remaining, 235.636719 MB of memory in use. ENERGY: 4745800 4036.2268 20552.9903 14473.6556 241.4435 -203236.1076 2304.2942 0.0000 0.0000 52035.1888 -109592.3084 299.0469 -161627.4972 -109245.2591 299.1284 -159.3612 -127.8866 760555.3751 -20.6837 -20.7868 PRESSURE: 4746000 -133.954 146.79 28.9238 146.79 -223.271 37.0444 28.9233 37.0453 -81.9925 GPRESSURE: 4746000 -122.037 124.024 27.1011 74.3109 -234.708 18.3183 26.8589 139.142 9.10849 PRESSAVG: 4746000 21.8165 14.8944 16.7444 14.8943 -26.1587 12.5364 16.7443 12.5364 8.31643 GPRESSAVG: 4746000 20.0711 16.1433 16.4319 13.5539 -25.1407 14.4206 19.5907 10.9312 9.32764 TIMING: 4746000 CPU: 15007.9, 0.00318636/step Wall: 15007.9, 0.00318636/step, 0.224816 hours remaining, 235.636719 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: 4746000 3944.4277 20550.3761 14475.1226 243.8084 -203133.8682 2307.0575 0.0000 0.0000 52120.8003 -109492.2755 299.5390 -161613.0759 -109135.7281 299.1829 -146.4058 -115.8790 761430.8045 1.3247 1.4193 PRESSURE: 4746200 -394.47 -2.68533 62.0757 -2.68571 190.021 -71.5117 62.0745 -71.5139 -144.626 GPRESSURE: 4746200 -346.499 7.19664 65.8577 -42.3928 250.293 -83.2625 58.129 -48.1297 -179.64 PRESSAVG: 4746200 -34.1688 -13.0275 31.0464 -13.0274 -2.57828 25.391 31.0465 25.391 12.3039 GPRESSAVG: 4746200 -34.2949 -12.8271 32.4004 -14.1404 -2.00542 25.3961 30.3844 26.4871 11.9022 TIMING: 4746200 CPU: 15008.5, 0.00316197/step Wall: 15008.5, 0.00316197/step, 0.222919 hours remaining, 235.636719 MB of memory in use. ENERGY: 4746200 4043.2276 20498.9789 14544.4422 247.6807 -203846.2665 2885.0321 0.0000 0.0000 52174.7272 -109452.1778 299.8489 -161626.9049 -109092.3470 299.0431 -116.3583 -91.9485 761900.5904 -8.1477 -8.1327 PRESSURE: 4746400 -15.1567 29.8448 15.6053 29.8449 -67.9771 97.2784 15.6051 97.278 44.5796 GPRESSURE: 4746400 17.693 49.7513 13.7979 21.603 -11.8442 142.32 -86.8547 121.893 44.0109 PRESSAVG: 4746400 0.249108 -48.3685 31.6879 -48.3684 -37.4023 34.8134 31.6879 34.8135 14.6934 GPRESSAVG: 4746400 1.61762 -50.1543 32.1974 -49.2595 -38.0532 35.1434 29.0943 32.3918 14.792 TIMING: 4746400 CPU: 15009.2, 0.00315214/step Wall: 15009.2, 0.00315214/step, 0.222051 hours remaining, 235.636719 MB of memory in use. ENERGY: 4746400 3986.8282 20547.2929 14490.7460 237.9061 -203524.8209 2725.6962 0.0000 0.0000 52051.2992 -109485.0523 299.1395 -161536.3515 -109126.6567 299.5401 -12.8514 16.6199 762640.8314 -7.4866 -7.2145 PRESSURE: 4746600 152.422 -65.2869 247.553 -65.2868 7.86448 162.559 247.553 162.558 131.071 GPRESSURE: 4746600 153.648 -127.565 274.385 46.8274 17.5711 202.35 252.612 27.0593 205.122 PRESSAVG: 4746600 9.83326 -64.4182 -58.3566 -64.4182 -35.2518 5.84094 -58.3566 5.84096 -23.0852 GPRESSAVG: 4746600 9.58359 -63.277 -58.4851 -60.9808 -33.5893 6.18841 -56.7593 5.66931 -23.8341 TIMING: 4746600 CPU: 15009.8, 0.0031706/step Wall: 15009.8, 0.0031706/step, 0.223175 hours remaining, 235.636719 MB of memory in use. ENERGY: 4746600 3942.9054 20622.0534 14476.7246 252.4296 -203841.6106 2786.4415 0.0000 0.0000 52031.8071 -109729.2489 299.0275 -161761.0560 -109360.8663 298.8750 97.1191 125.4471 762011.4580 -16.1679 -15.9466 PRESSURE: 4746800 -113.786 -96.3797 106.71 -96.3793 -278.067 1.95968 106.71 1.96003 -251.969 GPRESSURE: 4746800 -110.313 -83.1251 113.967 -152.232 -149.653 -67.1081 -7.88537 7.6272 -309.627 PRESSAVG: 4746800 -19.7308 -24.5901 51.3727 -24.5901 -9.40755 -27.8481 51.3727 -27.8481 -7.24499 GPRESSAVG: 4746800 -19.941 -22.7895 49.1557 -25.845 -9.59107 -29.709 51.6275 -27.4731 -6.69376 TIMING: 4746800 CPU: 15010.4, 0.0031649/step Wall: 15010.4, 0.0031649/step, 0.222598 hours remaining, 235.636719 MB of memory in use. ENERGY: 4746800 4050.4147 20392.3980 14544.7019 243.6041 -203764.6618 2878.8102 0.0000 0.0000 51924.7058 -109730.0271 298.4120 -161654.7329 -109368.1227 298.5411 -214.6072 -189.8643 763517.3777 -12.1278 -12.0753 PRESSURE: 4747000 229.062 -55.7599 16.7016 -55.7596 -93.8416 25.3673 16.7018 25.3674 309.002 GPRESSURE: 4747000 208.645 -41.8968 -15.2562 57.276 36.1577 -26.4015 -16.5863 -38.1425 282.735 PRESSAVG: 4747000 2.86281 32.3868 -9.38489 32.3869 -47.3291 -14.3098 -9.38486 -14.3097 -20.2364 GPRESSAVG: 4747000 2.74809 31.5023 -9.95135 32.0197 -47.9042 -12.9412 -9.76074 -13.5549 -18.9286 TIMING: 4747000 CPU: 15011.1, 0.00318102/step Wall: 15011.1, 0.00318102/step, 0.223555 hours remaining, 235.636719 MB of memory in use. ENERGY: 4747000 3925.3822 20523.3502 14505.8159 255.4490 -203867.2348 3019.9116 0.0000 0.0000 52073.3370 -109563.9890 299.2662 -161637.3260 -109202.6096 298.8770 148.0742 175.8459 761984.4476 -21.5676 -21.3616 PRESSURE: 4747200 -113.104 -168.328 172.81 -168.328 -92.787 -67.9233 172.809 -67.9239 -151.572 GPRESSURE: 4747200 -145.843 -184.656 156.619 -141.343 14.1547 -61.6642 348.153 4.98112 -135.963 PRESSAVG: 4747200 -6.48191 -58.6185 -8.12721 -58.6185 -6.9566 -31.1031 -8.12716 -31.1031 -5.91154 GPRESSAVG: 4747200 -7.44079 -57.9013 -5.94457 -58.4899 -5.59418 -29.2438 -6.75977 -31.8944 -6.49797 TIMING: 4747200 CPU: 15011.7, 0.00318641/step Wall: 15011.7, 0.00318641/step, 0.223757 hours remaining, 235.636719 MB of memory in use. ENERGY: 4747200 3962.6609 20371.4833 14538.2106 259.2766 -203578.3232 2717.2597 0.0000 0.0000 52121.8501 -109607.5820 299.5450 -161729.4321 -109237.6989 298.7954 -119.1542 -89.2171 760879.4886 -6.4500 -6.5110 PRESSURE: 4747400 30.3896 178.226 169.38 178.225 -15.4195 -110.864 169.38 -110.864 -72.524 GPRESSURE: 4747400 -26.0351 111.263 74.2554 86.9866 40.2925 -73.5368 98.2284 -152.31 4.17191 PRESSAVG: 4747400 -28.9075 1.3553 57.049 1.35524 -18.3131 -3.36786 57.049 -3.36782 10.4131 GPRESSAVG: 4747400 -27.3559 0.626419 55.5462 0.690545 -20.7159 -5.0489 55.7018 -2.87241 10.3742 TIMING: 4747400 CPU: 15012.3, 0.00317585/step Wall: 15012.3, 0.00317585/step, 0.222839 hours remaining, 235.636719 MB of memory in use. ENERGY: 4747400 3961.9194 20508.5467 14501.2140 266.5384 -203768.7773 2893.7359 0.0000 0.0000 52125.8444 -109510.9786 299.5679 -161636.8230 -109148.9389 298.3267 -19.1846 6.1431 761383.4737 -12.2692 -12.5659 PRESSURE: 4747600 -206.799 19.7784 -63.2509 19.7785 -102.242 102.885 -63.252 102.885 -143.224 GPRESSURE: 4747600 -83.8731 56.0307 80.4428 -83.244 -174.367 84.3966 -64.09 177.865 -113.046 PRESSAVG: 4747600 -18.6433 -33.7313 70.9953 -33.7314 15.5048 2.57792 70.9953 2.57795 6.87699 GPRESSAVG: 4747600 -19.4031 -34.4154 73.8562 -34.5578 16.9369 3.75248 70.7147 1.44476 6.11163 TIMING: 4747600 CPU: 15013, 0.00316387/step Wall: 15013, 0.00316387/step, 0.221822 hours remaining, 235.636719 MB of memory in use. ENERGY: 4747600 3998.8510 20485.2545 14603.6929 229.9353 -203532.7750 2643.7209 0.0000 0.0000 51867.0374 -109704.2831 298.0806 -161571.3205 -109329.3129 298.9708 -150.7551 -123.7618 761314.5920 1.2462 1.2151 PRESSURE: 4747800 -334.869 46.8391 105.353 46.8394 -31.3503 -245.647 105.353 -245.647 -138.004 GPRESSURE: 4747800 -245.664 -9.7807 197.665 -8.90814 -60.311 -105.441 91.9403 -266.255 -115.474 PRESSAVG: 4747800 -44.4533 -22.4963 42.4279 -22.4963 60.21 -2.51657 42.4279 -2.5167 8.99022 GPRESSAVG: 4747800 -43.6743 -21.0279 40.7285 -20.7328 59.8491 -2.78948 44.0213 -0.529797 8.54638 TIMING: 4747800 CPU: 15013.6, 0.00316861/step Wall: 15013.6, 0.00316861/step, 0.221979 hours remaining, 235.636719 MB of memory in use. ENERGY: 4747800 4034.7611 20392.8524 14532.8664 265.4227 -203306.4239 2465.8538 0.0000 0.0000 51903.3979 -109711.2696 298.2895 -161614.6675 -109344.0545 298.6188 -168.0742 -140.4829 762629.1824 8.2490 8.2404 PRESSURE: 4748000 23.5816 -62.5133 -234.873 -62.5125 -63.4057 -70.1714 -234.874 -70.1714 71.053 GPRESSURE: 4748000 98.2239 16.0879 -278.358 -63.4531 -81.1205 -49.3287 -171.754 -83.8772 105.648 PRESSAVG: 4748000 -52.1099 -29.3734 18.3447 -29.3734 59.9073 -20.557 18.3448 -20.557 -7.40343 GPRESSAVG: 4748000 -54.0614 -29.3326 20.2751 -31.0955 60.8012 -21.3931 17.4573 -22.2201 -6.81315 TIMING: 4748000 CPU: 15014.2, 0.00317573/step Wall: 15014.2, 0.00317573/step, 0.222301 hours remaining, 235.636719 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: 4748000 3963.9842 20548.0830 14499.1120 238.1085 -203568.6326 2701.8727 0.0000 0.0000 51945.3647 -109672.1075 298.5307 -161617.4722 -109312.6800 298.2010 10.4096 40.9172 762338.4642 0.1313 -0.0245 PRESSURE: 4748200 3.52851 49.3855 217.242 49.3862 68.745 -288.667 217.241 -288.668 -240.043 GPRESSURE: 4748200 -50.5701 24.1373 181.618 113.422 158.89 -329.207 27.918 -180.79 -197.448 PRESSAVG: 4748200 -26.1223 -33.5742 -11.7002 -33.5741 44.246 -19.8672 -11.7002 -19.8672 -12.3936 GPRESSAVG: 4748200 -25.9913 -34.1617 -13.623 -31.7997 43.6202 -20.007 -12.1087 -20.0934 -11.362 TIMING: 4748200 CPU: 15014.9, 0.0031578/step Wall: 15014.9, 0.0031578/step, 0.22087 hours remaining, 235.636719 MB of memory in use. ENERGY: 4748200 3904.5121 20492.7721 14493.3080 255.0543 -203661.9505 2784.2231 0.0000 0.0000 51781.3031 -109950.7778 297.5879 -161732.0809 -109598.2573 298.6146 -55.9231 -29.7094 762423.1541 1.9100 2.0890 LDB: ============= START OF LOAD BALANCING ============== 15027.4 LDB: ============== END OF LOAD BALANCING =============== 15027.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15027.4 LDB: ============= START OF LOAD BALANCING ============== 15027.7 LDB: Largest compute 7026 load 0.033747 is 17.3% of average load 0.195515 LDB: Average compute 0.004408 is 2.3% of average load 0.195515 LDB: TIME 15027.7 LOAD: AVG 0.195515 MAX 0.21575 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.703 MB LDB: TIME 15027.7 LOAD: AVG 0.195515 MAX 0.21575 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: TIME 15027.7 LOAD: AVG 0.195515 MAX 0.21575 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.906 MB LDB: ============== END OF LOAD BALANCING =============== 15027.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15027.7 PRESSURE: 4748400 123.431 -4.38097 36.6517 -4.38105 -19.319 -127.579 36.6518 -127.58 -87.6562 GPRESSURE: 4748400 117.303 1.30232 18.7402 4.45878 -4.65016 -101.01 45.1176 -169.031 8.02302 PRESSAVG: 4748400 4.79825 21.8633 -1.14184 21.8632 16.0849 -24.8336 -1.14182 -24.8337 -20.0027 GPRESSAVG: 4748400 4.64899 21.4406 -0.882133 20.5352 15.9389 -25.44 -0.876615 -23.9854 -19.5456 TIMING: 4748400 CPU: 15015.5, 0.00322638/step Wall: 15015.5, 0.00322638/step, 0.225488 hours remaining, 234.871094 MB of memory in use. ENERGY: 4748400 3922.7915 20421.1070 14550.7896 238.9418 -203171.5463 2483.5213 0.0000 0.0000 51772.9918 -109781.4033 297.5401 -161554.3951 -109423.7936 297.9012 5.4852 40.2252 763301.7974 0.2935 0.3474 PRESSURE: 4748600 27.0254 104.984 -2.6984 104.985 -162.054 -112.673 -2.69885 -112.673 -52.5496 GPRESSURE: 4748600 10.288 75.9008 5.55148 51.8497 -50.9247 -168.493 114.805 -68.4102 -52.3768 PRESSAVG: 4748600 2.59594 25.7524 5.80813 25.7525 -0.114939 -41.2147 5.80806 -41.2147 3.49169 GPRESSAVG: 4748600 4.35061 26.9855 7.30035 26.5943 -1.14985 -41.3631 4.57545 -43.0498 2.76918 TIMING: 4748600 CPU: 15016.1, 0.00315791/step Wall: 15016.1, 0.00315791/step, 0.220527 hours remaining, 234.906250 MB of memory in use. ENERGY: 4748600 4017.2964 20475.1338 14535.1770 230.9379 -203543.4603 2785.5687 0.0000 0.0000 51702.8188 -109796.5277 297.1368 -161499.3465 -109439.2332 297.7271 -62.5262 -31.0045 763122.3020 1.9909 1.9900 PRESSURE: 4748800 -463.314 32.8589 -81.0792 32.8583 -44.468 -63.1752 -81.0797 -63.1756 -74.9056 GPRESSURE: 4748800 -392.608 -15.6204 -45.9523 -13.5425 32.959 -86.2931 -184.874 73.9411 -122.259 PRESSAVG: 4748800 -12.7851 -23.5268 5.11781 -23.5268 50.202 -21.8362 5.11791 -21.8363 -9.95146 GPRESSAVG: 4748800 -12.9752 -24.4303 5.10434 -23.947 51.0477 -21.6937 3.76503 -19.3892 -10.1483 TIMING: 4748800 CPU: 15016.8, 0.0031617/step Wall: 15016.8, 0.0031617/step, 0.220616 hours remaining, 234.976562 MB of memory in use. ENERGY: 4748800 4014.6710 20365.2697 14550.4583 254.5675 -203069.5702 2400.6422 0.0000 0.0000 51766.9458 -109717.0157 297.5053 -161483.9615 -109357.3094 298.5176 -194.2292 -160.6359 762493.5952 9.1551 9.3080 PRESSURE: 4749000 225.622 83.974 125.774 83.9746 237.377 -212.716 125.774 -212.717 175.416 GPRESSURE: 4749000 148.95 -29.0432 145.042 4.34314 317.652 -204.466 165.367 -206.234 256.991 PRESSAVG: 4749000 45.67 -41.245 -9.19703 -41.2449 -21.2452 5.43623 -9.19703 5.43633 -13.0415 GPRESSAVG: 4749000 45.7166 -43.1011 -9.56398 -41.6294 -20.1046 6.76212 -6.5149 3.04169 -14.187 TIMING: 4749000 CPU: 15017.4, 0.00316778/step Wall: 15017.4, 0.00316778/step, 0.220865 hours remaining, 234.976562 MB of memory in use. ENERGY: 4749000 3932.1763 20593.0901 14513.8255 237.4424 -203929.8599 3018.0944 0.0000 0.0000 52130.8991 -109504.3321 299.5970 -161635.2312 -109145.4985 298.7449 212.8051 241.1980 762972.7429 3.7944 3.8083 PRESSURE: 4749200 -10.6875 32.4779 139.769 32.4787 199.646 -59.1177 139.769 -59.1158 224.141 GPRESSURE: 4749200 -33.9078 76.2613 168.514 -85.4619 288.121 -29.442 65.5467 117.352 230.633 PRESSAVG: 4749200 -41.5221 -47.2035 52.8787 -47.2035 45.3085 -36.3164 52.8787 -36.3163 5.93301 GPRESSAVG: 4749200 -42.5506 -45.958 51.507 -47.5936 46.5016 -36.2266 50.7846 -34.9976 6.2882 TIMING: 4749200 CPU: 15018, 0.00318846/step Wall: 15018, 0.00318846/step, 0.222129 hours remaining, 234.976562 MB of memory in use. ENERGY: 4749200 3982.4741 20337.4880 14465.3375 266.5783 -203474.8502 2967.2502 0.0000 0.0000 51842.2646 -109613.4575 297.9382 -161455.7221 -109251.2591 299.2147 137.6996 161.6153 762180.0400 3.2398 3.4130 PRESSURE: 4749400 -85.3812 194.879 -20.3671 194.88 58.5995 -165.675 -20.3665 -165.675 312.571 GPRESSURE: 4749400 -51.9921 181.309 9.11748 196.52 80.6707 -87.2558 3.67093 -178.508 342.43 PRESSAVG: 4749400 -38.2263 -4.55383 43.2271 -4.55382 56.6563 -24.3889 43.2271 -24.3889 26.3751 GPRESSAVG: 4749400 -37.214 -3.15633 42.494 -4.90901 54.6543 -24.6546 46.5684 -24.7718 27.2219 TIMING: 4749400 CPU: 15018.7, 0.00318472/step Wall: 15018.7, 0.00318472/step, 0.221692 hours remaining, 235.042969 MB of memory in use. ENERGY: 4749400 4040.7719 20266.8227 14567.8528 239.6616 -203864.9892 2734.7946 0.0000 0.0000 52200.5960 -109814.4897 299.9975 -162015.0857 -109455.5148 298.7664 95.2630 123.7029 761108.2759 14.9350 14.8874 PRESSURE: 4749600 -199.332 -70.9648 144.931 -70.9645 -228.207 108.857 144.931 108.858 2.93077 GPRESSURE: 4749600 -110.774 -21.6488 67.3272 -34.9205 -170.646 85.3709 92.3865 -21.4431 -52.3111 PRESSAVG: 4749600 35.0042 -34.6087 23.8354 -34.6087 -4.13373 -17.4128 23.8353 -17.4128 17.8555 GPRESSAVG: 4749600 34.7955 -35.047 25.0164 -31.7314 -2.69181 -16.4462 21.5101 -18.8407 16.8824 TIMING: 4749600 CPU: 15019.3, 0.00317486/step Wall: 15019.3, 0.00317486/step, 0.220829 hours remaining, 235.042969 MB of memory in use. ENERGY: 4749600 4023.5492 20441.1606 14427.6432 250.8367 -203725.6700 2660.5411 0.0000 0.0000 51985.3019 -109936.6374 298.7602 -161921.9393 -109572.4730 298.1325 -141.5362 -111.2437 761481.8695 16.2420 16.3287 PRESSURE: 4749800 510.647 106.5 88.0774 106.499 311.714 149.175 88.0777 149.175 130.925 GPRESSURE: 4749800 532.037 159.357 96.7847 65.5091 295.573 125.222 -7.86511 141.019 204.378 PRESSAVG: 4749800 -24.1004 -9.54299 7.21806 -9.54297 -29.7187 8.37976 7.21806 8.37971 5.75265 GPRESSAVG: 4749800 -25.3136 -8.51923 7.08904 -12.7781 -30.3494 5.78417 8.82638 8.97082 7.82693 TIMING: 4749800 CPU: 15019.9, 0.00317087/step Wall: 15019.9, 0.00317087/step, 0.220376 hours remaining, 235.042969 MB of memory in use. ENERGY: 4749800 3880.3658 20437.0585 14566.3704 237.1464 -203616.9356 2870.4284 0.0000 0.0000 51960.2217 -109665.3443 298.6161 -161625.5660 -109307.1984 298.6661 317.7620 343.9959 761155.0860 -16.0222 -15.9453 PRESSURE: 4750000 71.439 -48.7603 -296.833 -48.7605 308.39 -41.0103 -296.833 -41.0116 759.606 GPRESSURE: 4750000 237.39 29.469 -323.332 1.71796 347.096 -45.7618 -191.749 4.98611 642.069 PRESSAVG: 4750000 -5.46896 12.3308 19.004 12.3308 20.3176 -6.68588 19.0041 -6.68589 7.36245 GPRESSAVG: 4750000 -4.10438 8.80475 20.0674 14.3597 20.5733 -5.93195 18.3594 -4.85772 5.66383 TIMING: 4750000 CPU: 15020.6, 0.00315033/step Wall: 15020.6, 0.00315033/step, 0.218773 hours remaining, 235.042969 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: 4750000 3998.4536 20579.2511 14403.1669 233.1859 -203809.9168 2978.5554 0.0000 0.0000 52114.4012 -109502.9028 299.5022 -161617.3039 -109146.5208 299.1190 379.8117 408.8515 759623.8991 7.4037 7.3776 PRESSURE: 4750200 -115.573 -133.683 -151.784 -133.683 132.105 -82.5864 -151.784 -82.5863 485.564 GPRESSURE: 4750200 -89.5912 -59.1818 -111.94 -103.815 279.865 -124.063 -84.5351 -60.1254 403.722 PRESSAVG: 4750200 13.3879 -5.38972 -23.0357 -5.38974 -12.4874 -18.7213 -23.0356 -18.7212 23.4697 GPRESSAVG: 4750200 13.5645 -0.327123 -23.4227 -7.3194 -12.5014 -18.1533 -21.1808 -18.5308 22.9137 TIMING: 4750200 CPU: 15021.2, 0.0031548/step Wall: 15021.2, 0.0031548/step, 0.218908 hours remaining, 235.042969 MB of memory in use. ENERGY: 4750200 3988.7214 20469.9876 14466.2356 249.6004 -203431.5401 2773.2068 0.0000 0.0000 51932.4740 -109551.3142 298.4566 -161483.7882 -109183.7725 298.8212 167.3654 197.9985 759744.4677 8.1234 7.9923 PRESSURE: 4750400 -206.729 -332.052 184.436 -332.053 58.4753 -33.6429 184.436 -33.6442 -277.548 GPRESSURE: 4750400 -246.935 -250.206 147.024 -315.911 112.659 -30.824 160.135 -43.4603 -193.148 PRESSAVG: 4750400 -59.1094 -21.9155 68.5887 -21.9155 42.29 -29.8783 68.5887 -29.8783 -2.7342 GPRESSAVG: 4750400 -59.1095 -24.3962 66.875 -20.6524 41.2053 -31.4603 67.2543 -28.4747 -1.47778 TIMING: 4750400 CPU: 15021.8, 0.00317176/step Wall: 15021.8, 0.00317176/step, 0.219908 hours remaining, 235.042969 MB of memory in use. ENERGY: 4750400 3866.9288 20456.0709 14452.0026 246.2091 -203262.5087 2515.9256 0.0000 0.0000 52151.8172 -109573.5545 299.7172 -161725.3716 -109198.1039 299.0953 -141.9340 -109.1413 761866.3707 -6.5179 -6.4607 PRESSURE: 4750600 -343.949 107.793 -21.8495 107.793 -338.316 124.516 -21.8494 124.515 -167.281 GPRESSURE: 4750600 -394.929 307.076 -7.98147 38.7696 -241.03 139.441 -23.4613 40.2991 -152.117 PRESSAVG: 4750600 25.9862 -27.3029 41.8735 -27.3028 11.0305 -16.1291 41.8735 -16.1291 9.94728 GPRESSAVG: 4750600 25.1244 -27.8928 42.6254 -27.3139 11.8769 -15.0524 42.234 -19.8953 9.61963 TIMING: 4750600 CPU: 15022.5, 0.00318936/step Wall: 15022.5, 0.00318936/step, 0.220952 hours remaining, 235.042969 MB of memory in use. ENERGY: 4750600 4003.0196 20593.2371 14517.7745 237.1623 -202999.8199 2203.4339 0.0000 0.0000 51978.1094 -109467.0831 298.7189 -161445.1925 -109102.4377 299.2722 -283.1817 -262.6919 761049.1360 15.6546 15.5403 PRESSURE: 4750800 -147.235 57.1172 -157.143 57.117 -441.483 61.6201 -157.142 61.621 -282.158 GPRESSURE: 4750800 -102.201 172.814 -104.311 98.1108 -392.448 108.373 -153.884 40.9424 -309.835 PRESSAVG: 4750800 44.447 2.6176 1.88584 2.6176 -50.2417 -24.8317 1.88583 -24.8317 4.03452 GPRESSAVG: 4750800 45.7887 2.5988 1.98774 1.98343 -51.8382 -23.9511 0.650575 -24.9641 4.1655 TIMING: 4750800 CPU: 15023.1, 0.00316841/step Wall: 15023.1, 0.00316841/step, 0.219325 hours remaining, 235.042969 MB of memory in use. ENERGY: 4750800 3996.8022 20662.3974 14448.7443 241.8924 -203180.7409 2301.9207 0.0000 0.0000 52027.6424 -109501.3415 299.0036 -161528.9839 -109145.0461 299.2154 -290.2919 -268.1617 762492.9509 -0.5867 -0.6280 PRESSURE: 4751000 106.264 -6.6926 86.2344 -6.69306 134.14 -302.081 86.2346 -302.08 48.4997 GPRESSURE: 4751000 96.9964 77.8318 19.6815 -103.28 241.252 -206.051 32.1833 -292.171 23.5941 PRESSAVG: 4751000 -35.4201 52.1369 16.0181 52.1369 -15.3444 -37.3097 16.018 -37.3097 12.0405 GPRESSAVG: 4751000 -36.5805 51.001 16.2767 54.7616 -13.5121 -39.7997 16.1704 -34.8533 11.5347 TIMING: 4751000 CPU: 15023.8, 0.00319503/step Wall: 15023.8, 0.00319503/step, 0.220989 hours remaining, 235.042969 MB of memory in use. ENERGY: 4751000 3990.9369 20535.6112 14465.2719 238.6708 -203641.8267 2562.5975 0.0000 0.0000 52235.5960 -109613.1425 300.1987 -161848.7385 -109237.0669 299.2027 96.3010 120.6142 761631.6678 -12.9080 -12.8526 PRESSURE: 4751200 -358.833 -143.703 256.464 -143.703 -281.144 -213.491 256.464 -213.491 -346.788 GPRESSURE: 4751200 -393.239 -130.473 261.827 -231.028 -264.388 -269.394 206.817 -356.185 -232.266 PRESSAVG: 4751200 -28.2346 1.62271 -23.3616 1.62269 -8.20451 -45.0366 -23.3617 -45.0365 -11.2565 GPRESSAVG: 4751200 -27.3107 3.67021 -24.1892 0.918775 -9.46574 -43.9165 -19.6058 -45.9452 -9.91893 TIMING: 4751200 CPU: 15024.4, 0.00319811/step Wall: 15024.4, 0.00319811/step, 0.221025 hours remaining, 235.042969 MB of memory in use. ENERGY: 4751200 4064.3260 20435.2972 14545.6002 263.3667 -203018.6757 2270.4746 0.0000 0.0000 51814.9966 -109624.6144 297.7815 -161439.6110 -109263.2116 298.6819 -328.9219 -296.6307 761600.6971 -15.8985 -15.5651 PRESSURE: 4751400 -274.487 240.707 121.637 240.707 -209.126 -119.194 121.636 -119.194 2.87478 GPRESSURE: 4751400 -208.399 228.589 75.2338 225.583 -139.234 -144.201 100.349 -190.321 -43.6962 PRESSAVG: 4751400 -67.1556 17.7541 30.9841 17.7541 8.77566 -54.3007 30.9841 -54.3008 14.9375 GPRESSAVG: 4751400 -66.4956 16.6849 31.5694 17.0993 8.69853 -53.9137 26.2823 -54.9741 14.1424 TIMING: 4751400 CPU: 15025, 0.00317359/step Wall: 15025, 0.00317359/step, 0.219154 hours remaining, 235.042969 MB of memory in use. ENERGY: 4751400 3977.4862 20497.4970 14482.5648 249.5682 -203467.8587 2661.3165 0.0000 0.0000 51976.0728 -109623.3531 298.7072 -161599.4259 -109259.6102 298.6190 -160.2460 -130.4430 761426.4968 -14.4808 -14.5516 PRESSURE: 4751600 67.5752 -81.7498 49.0591 -81.7508 -33.8787 -139.103 49.0592 -139.104 128.186 GPRESSURE: 4751600 82.4395 -95.9119 86.9612 -116.397 -39.9105 -117.069 176.951 -254.019 189.105 PRESSAVG: 4751600 7.28627 -11.3797 28.0157 -11.3797 -6.66317 -30.1819 28.0157 -30.1819 -26.5654 GPRESSAVG: 4751600 5.88084 -10.7868 27.9051 -12.7224 -6.12607 -31.5336 31.0798 -29.19 -26.3796 TIMING: 4751600 CPU: 15025.7, 0.00315264/step Wall: 15025.7, 0.00315264/step, 0.217532 hours remaining, 235.042969 MB of memory in use. ENERGY: 4751600 4001.7763 20502.0479 14492.8746 240.2818 -203520.7661 2724.2126 0.0000 0.0000 51905.3612 -109654.2117 298.3008 -161559.5729 -109284.3029 298.8226 53.9609 77.2113 762406.5587 -8.6474 -8.8749 PRESSURE: 4751800 -18.8003 96.9936 -258.845 96.9934 -183.995 -145.802 -258.844 -145.802 284.366 GPRESSURE: 4751800 -33.68 132.212 -184.472 19.2525 -167.387 -88.9907 -263.519 4.9386 357.67 PRESSAVG: 4751800 -21.7453 37.3132 -46.409 37.3133 40.9865 -2.63585 -46.409 -2.63585 -8.50392 GPRESSAVG: 4751800 -20.6067 36.4116 -48.0129 40.1442 40.3614 -1.23955 -47.6488 -4.11328 -9.38763 TIMING: 4751800 CPU: 15026.3, 0.0031596/step Wall: 15026.3, 0.0031596/step, 0.217837 hours remaining, 235.042969 MB of memory in use. ENERGY: 4751800 3948.8845 20419.0538 14461.4877 241.8848 -203402.8725 2573.9220 0.0000 0.0000 52238.7786 -109518.8609 300.2170 -161757.6396 -109163.3560 298.7342 27.1902 52.2010 761730.8811 3.5791 3.4557 PRESSURE: 4752000 -151.215 -81.8164 -5.98242 -81.8162 -214.24 108.453 -5.98206 108.453 -69.1387 GPRESSURE: 4752000 -51.749 -78.9422 -10.6004 -130.93 -199.373 68.4882 28.9979 64.0253 -76.4867 PRESSAVG: 4752000 64.0289 -44.0769 -3.90463 -44.077 -58.7696 -17.1408 -3.90455 -17.1408 17.74 GPRESSAVG: 4752000 64.7241 -43.839 -1.74994 -46.6181 -60.0533 -17.329 -3.30431 -16.1806 18.5023 TIMING: 4752000 CPU: 15026.9, 0.00316963/step Wall: 15026.9, 0.00316963/step, 0.218352 hours remaining, 235.042969 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: 4752000 3959.0657 20582.0008 14545.8007 253.7077 -203077.7622 2307.0276 0.0000 0.0000 52116.6702 -109313.4894 299.5152 -161430.1596 -108953.7537 299.1147 -144.8646 -109.2030 761958.1558 7.6664 7.7244 PRESSURE: 4752200 -58.6197 160.976 -92.1742 160.976 -175.489 -39.7813 -92.1751 -39.7808 -456.272 GPRESSURE: 4752200 -61.1168 229.577 -72.0982 100.303 -11.2103 -2.11255 58.5082 -117.209 -536.029 PRESSAVG: 4752200 7.27773 73.532 -51.4311 73.532 7.81434 -6.78056 -51.4311 -6.78045 -11.9882 GPRESSAVG: 4752200 6.50232 73.5937 -52.4797 73.1008 9.90349 -6.6135 -51.2706 -7.66015 -12.8141 TIMING: 4752200 CPU: 15027.6, 0.0031806/step Wall: 15027.6, 0.0031806/step, 0.218931 hours remaining, 235.042969 MB of memory in use. ENERGY: 4752200 4048.2803 20290.9477 14421.5491 251.4411 -203340.1769 2680.2514 0.0000 0.0000 52158.0516 -109489.6556 299.7530 -161647.7072 -109124.3708 299.2080 -230.1268 -202.7853 762769.1113 1.0346 1.1972 LDB: ============= START OF LOAD BALANCING ============== 15040.1 LDB: ============== END OF LOAD BALANCING =============== 15040.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15040.1 LDB: ============= START OF LOAD BALANCING ============== 15040.4 LDB: Largest compute 7077 load 0.034670 is 17.7% of average load 0.195440 LDB: Average compute 0.004437 is 2.3% of average load 0.195440 LDB: TIME 15040.4 LOAD: AVG 0.19544 MAX 0.219813 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.352 MB LDB: TIME 15040.4 LOAD: AVG 0.19544 MAX 0.219813 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.555 MB LDB: TIME 15040.4 LOAD: AVG 0.19544 MAX 0.214364 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.555 MB LDB: ============== END OF LOAD BALANCING =============== 15040.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15040.4 PRESSURE: 4752400 248.38 -199.822 -99.8055 -199.823 298.566 -227.193 -99.8052 -227.193 171.728 GPRESSURE: 4752400 303.169 -205.686 -38.6668 -200.659 249.826 -210.081 -122.234 -209.041 240.212 PRESSAVG: 4752400 12.2414 1.85304 19.9918 1.85298 3.9419 7.94291 19.9918 7.94294 -43.7773 GPRESSAVG: 4752400 12.6493 0.326505 20.5436 4.34368 2.65302 7.18484 18.2866 8.24539 -43.4465 TIMING: 4752400 CPU: 15028.2, 0.00322968/step Wall: 15028.2, 0.00322968/step, 0.22213 hours remaining, 237.195312 MB of memory in use. ENERGY: 4752400 3968.8646 20530.5604 14491.9569 247.3368 -203575.8352 2697.3661 0.0000 0.0000 51944.1172 -109695.6331 298.5236 -161639.7503 -109338.5350 298.6825 239.5580 264.4022 760375.4156 -9.1980 -9.3814 PRESSURE: 4752600 157.423 -68.4446 -221.162 -68.4448 -108.518 183.58 -221.162 183.58 -114.859 GPRESSURE: 4752600 247.006 -112.181 -178.551 -17.9087 -182.159 171.229 -221.986 119.192 -71.8431 PRESSAVG: 4752600 -41.0263 -14.4409 28.6663 -14.4409 19.4873 -37.9095 28.6663 -37.9095 -1.89809 GPRESSAVG: 4752600 -41.1759 -10.846 29.3965 -15.6533 18.8375 -37.5226 28.3728 -37.9326 -1.05107 TIMING: 4752600 CPU: 15028.8, 0.00315513/step Wall: 15028.8, 0.00315513/step, 0.216827 hours remaining, 237.195312 MB of memory in use. ENERGY: 4752600 3917.1845 20388.9171 14449.1330 258.7553 -203267.8606 2288.6780 0.0000 0.0000 52063.7688 -109901.4241 299.2112 -161965.1928 -109532.8443 298.4062 -21.9845 -2.3320 760287.6742 -7.8124 -7.7965 PRESSURE: 4752800 -62.9094 90.617 270.306 90.6168 234.634 134.495 270.306 134.495 503.713 GPRESSURE: 4752800 -76.8797 82.0624 247.829 39.0729 274.501 105.815 215.955 -21.1119 544.815 PRESSAVG: 4752800 -3.69299 0.379316 1.00097 0.379305 61.3373 -1.84232 1.00099 -1.84228 13.212 GPRESSAVG: 4752800 -3.96706 -0.798853 0.724171 -0.425606 61.8347 -2.58666 2.33842 -1.26743 12.9194 TIMING: 4752800 CPU: 15029.5, 0.00315431/step Wall: 15029.5, 0.00315431/step, 0.216596 hours remaining, 237.195312 MB of memory in use. ENERGY: 4752800 4076.9950 20379.3034 14502.6705 246.1403 -203497.2783 2742.4235 0.0000 0.0000 51828.6859 -109721.0596 297.8602 -161549.7456 -109361.8291 298.1525 225.1457 247.4790 758951.7315 23.6188 23.5957 PRESSURE: 4753000 -104.993 137.195 254.08 137.196 -275.505 -152.284 254.079 -152.285 -278.336 GPRESSURE: 4753000 -112.274 133.851 247.616 57.5964 -214.554 -57.1401 241.52 2.32287 -258.617 PRESSAVG: 4753000 -15.6 17.4678 -20.594 17.4677 -10.79 5.51282 -20.5941 5.51283 19.0285 GPRESSAVG: 4753000 -16.7712 15.2853 -20.6922 17.4858 -9.58731 6.99253 -20.8526 4.2708 18.7745 TIMING: 4753000 CPU: 15030.1, 0.00315744/step Wall: 15030.1, 0.00315744/step, 0.216635 hours remaining, 237.195312 MB of memory in use. ENERGY: 4753000 3938.6482 20465.6739 14413.4638 242.1839 -203232.4516 2507.5660 0.0000 0.0000 51971.6472 -109693.2685 298.6818 -161664.9157 -109332.2090 298.6310 -219.6111 -195.1482 760238.0415 -2.4538 -2.5280 PRESSURE: 4753200 125.465 -224.75 -39.1413 -224.75 158.309 33.2342 -39.1416 33.234 5.50061 GPRESSURE: 4753200 153.301 -149.43 -95.5338 -179.619 198.124 132.736 80.697 53.6604 40.6152 PRESSAVG: 4753200 -6.85477 -37.7263 -34.1106 -37.7263 15.8011 -5.93793 -34.1106 -5.93804 0.299869 GPRESSAVG: 4753200 -6.31963 -36.6264 -33.2327 -37.9262 15.435 -6.08418 -31.9915 -2.57401 0.225501 TIMING: 4753200 CPU: 15030.7, 0.00318315/step Wall: 15030.7, 0.00318315/step, 0.218222 hours remaining, 237.195312 MB of memory in use. ENERGY: 4753200 3971.6452 20657.2822 14413.8844 253.0619 -203636.8793 2903.0320 0.0000 0.0000 51701.7925 -109736.1810 297.1309 -161437.9735 -109387.8481 298.3435 96.4248 130.6802 760572.3972 3.0821 3.1136 PRESSURE: 4753400 -171.916 -84.3252 -105.887 -84.3263 151.021 92.1667 -105.887 92.1674 145.733 GPRESSURE: 4753400 -114.485 -59.2635 -86.6064 17.2304 163.863 65.1972 -119.706 43.0315 165.137 PRESSAVG: 4753400 26.5415 -14.6612 -51.7746 -14.6612 -11.8852 33.2296 -51.7746 33.2296 8.9866 GPRESSAVG: 4753400 26.5265 -16.859 -52.873 -13.9411 -10.848 33.6483 -55.2084 31.1697 8.48357 TIMING: 4753400 CPU: 15031.4, 0.0031879/step Wall: 15031.4, 0.0031879/step, 0.218371 hours remaining, 237.195312 MB of memory in use. ENERGY: 4753400 3998.1937 20425.8005 14442.7505 237.9937 -203440.5884 2612.1439 0.0000 0.0000 52162.0996 -109561.6066 299.7763 -161723.7061 -109201.2313 299.0978 41.6128 71.5051 760770.8047 7.8810 8.0540 PRESSURE: 4753600 -158.702 -87.3972 -136.542 -87.3974 87.2168 -394.234 -136.542 -394.233 -193.555 GPRESSURE: 4753600 -55.74 -117.879 -79.2606 -89.3916 53.0836 -392.301 -88.8871 -323.588 -187.387 PRESSAVG: 4753600 -40.7366 -15.9961 -57.6289 -15.9961 31.1379 -17.9317 -57.6289 -17.9318 15.3234 GPRESSAVG: 4753600 -40.3485 -15.5197 -57.683 -15.2014 30.0995 -18.7989 -54.7947 -16.7405 16.2701 TIMING: 4753600 CPU: 15032, 0.00316737/step Wall: 15032, 0.00316737/step, 0.216789 hours remaining, 237.195312 MB of memory in use. ENERGY: 4753600 4076.7080 20317.2554 14433.7525 230.3454 -203486.8073 2445.0385 0.0000 0.0000 52147.1140 -109836.5936 299.6902 -161983.7075 -109466.8379 298.1876 -88.3467 -63.3478 760483.9098 1.9082 2.0071 PRESSURE: 4753800 40.6173 213.096 93.0009 213.095 -323.344 -28.5195 93.0011 -28.5206 142.405 GPRESSURE: 4753800 29.5073 198.152 -14.953 189.836 -152.274 -81.4558 -85.2304 68.6637 53.3813 PRESSAVG: 4753800 16.9443 -50.9336 -9.04976 -50.9336 4.0731 -24.7857 -9.04979 -24.7857 -8.07482 GPRESSAVG: 4753800 15.6845 -51.2966 -9.13918 -51.6203 6.42693 -25.9128 -11.8435 -26.531 -8.72565 TIMING: 4753800 CPU: 15032.6, 0.00314078/step Wall: 15032.6, 0.00314078/step, 0.214794 hours remaining, 237.195312 MB of memory in use. ENERGY: 4753800 4066.0147 20430.0103 14482.5569 275.0819 -203714.6662 2852.7341 0.0000 0.0000 51996.9002 -109611.3681 298.8269 -161608.2683 -109261.5396 298.5281 -46.7740 -23.1284 760153.5319 4.3142 4.4619 PRESSURE: 4754000 241.835 -65.8524 -18.0411 -65.8529 262.991 55.8361 -18.0418 55.8366 -65.1765 GPRESSURE: 4754000 264.942 -93.964 -21.1324 -83.7566 282.996 182.828 111.323 106.064 -26.9028 PRESSAVG: 4754000 -9.01608 -21.7305 -65.0228 -21.7305 26.6682 31.9243 -65.0228 31.9243 0.686088 GPRESSAVG: 4754000 -8.47189 -21.2022 -66.2578 -22.8437 25.1633 33.5501 -63.7789 33.9477 1.29074 TIMING: 4754000 CPU: 15033.3, 0.00313765/step Wall: 15033.3, 0.00313765/step, 0.214406 hours remaining, 237.195312 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: 4754000 3910.0711 20542.5932 14447.2521 248.9758 -203655.5808 3007.8516 0.0000 0.0000 51910.8038 -109588.0331 298.3321 -161498.8369 -109229.3642 298.9472 146.5497 173.6785 761050.8701 6.1127 5.9940 PRESSURE: 4754200 398.152 -153.545 -249.345 -153.545 -444.059 99.2717 -249.346 99.2711 82.1722 GPRESSURE: 4754200 342.475 -124.194 -99.1805 -33.6556 -339.221 171.921 -133.956 -40.3593 109.617 PRESSAVG: 4754200 -61.2698 -39.8346 -35.1237 -39.8345 44.0546 49.2351 -35.1237 49.2351 2.13468 GPRESSAVG: 4754200 -61.0658 -38.6989 -34.0582 -40.9475 42.9509 50.2963 -34.7747 45.6084 2.75495 TIMING: 4754200 CPU: 15033.9, 0.0031382/step Wall: 15033.9, 0.0031382/step, 0.214269 hours remaining, 237.195312 MB of memory in use. ENERGY: 4754200 3994.5724 20598.3838 14514.2096 244.3490 -203311.6681 2468.2604 0.0000 0.0000 51911.0191 -109580.8737 298.3333 -161491.8928 -109226.2117 299.2196 12.0884 37.6237 760649.4294 -5.0269 -5.1200 PRESSURE: 4754400 37.1865 -41.1216 256.448 -41.1204 -52.0148 -18.4049 256.449 -18.4061 68.5569 GPRESSURE: 4754400 -2.8648 -71.5756 154.871 -117.097 90.6971 -29.3431 252.06 -28.8928 68.8573 PRESSAVG: 4754400 -24.2057 -56.5348 -1.349 -56.5347 34.8613 23.0985 -1.34893 23.0983 1.03106 GPRESSAVG: 4754400 -24.2868 -55.2221 -3.26697 -55.9522 34.4971 20.2095 -1.79826 23.3143 1.26981 TIMING: 4754400 CPU: 15034.5, 0.00315157/step Wall: 15034.5, 0.00315157/step, 0.215007 hours remaining, 237.195312 MB of memory in use. ENERGY: 4754400 3984.2044 20480.4098 14532.3550 250.2857 -203710.4469 2740.8028 0.0000 0.0000 52113.4185 -109608.9706 299.4965 -161722.3891 -109249.3614 298.9025 17.9095 52.2299 760521.0434 3.8955 3.8267 PRESSURE: 4754600 -211.707 9.07164 100.582 9.07055 -47.9393 212.935 100.582 212.935 -207.872 GPRESSURE: 4754600 -57.0764 -113.67 49.1439 132.502 -95.9865 230.09 58.2658 93.4616 -182.686 PRESSAVG: 4754600 13.9629 -54.8423 16.1175 -54.8424 17.6911 -12.345 16.1175 -12.345 -11.0167 GPRESSAVG: 4754600 13.0936 -57.1487 17.0844 -53.6734 19.1712 -11.2269 16.5267 -9.71335 -11.5285 TIMING: 4754600 CPU: 15035.2, 0.00315882/step Wall: 15035.2, 0.00315882/step, 0.215326 hours remaining, 237.195312 MB of memory in use. ENERGY: 4754600 4013.8057 20456.0098 14437.6692 246.0799 -203350.3745 2433.1284 0.0000 0.0000 52154.7828 -109608.8987 299.7343 -161763.6815 -109241.1850 298.7835 -155.8396 -111.9163 761039.6565 6.8791 6.9121 PRESSURE: 4754800 119.421 -36.2664 -94.9053 -36.2663 203.895 163.264 -94.9058 163.263 -110.928 GPRESSURE: 4754800 140.392 -99.9632 -76.3246 7.36259 168.123 39.1096 -163.132 131.455 -41.037 PRESSAVG: 4754800 -5.46077 -44.9177 -31.1485 -44.9177 -8.59498 33.326 -31.1485 33.326 -11.7811 GPRESSAVG: 4754800 -4.47422 -42.0125 -31.8916 -46.8312 -9.89898 33.6843 -31.4648 31.8109 -11.884 TIMING: 4754800 CPU: 15035.8, 0.00317217/step Wall: 15035.8, 0.00317217/step, 0.21606 hours remaining, 237.195312 MB of memory in use. ENERGY: 4754800 3991.5618 20524.6718 14459.5925 205.5543 -204036.9170 3092.9363 0.0000 0.0000 52186.0338 -109576.5664 299.9139 -161762.6002 -109209.9233 298.6700 70.7960 89.1594 760794.1178 -8.6123 -8.7524 PRESSURE: 4755000 -139.01 100.722 -60.5536 100.722 -44.796 -68.2475 -60.553 -68.2477 -202.598 GPRESSURE: 4755000 -150.603 89.1305 -28.1383 96.482 29.4617 -121.932 6.51074 -33.653 -193.642 PRESSAVG: 4755000 -1.43461 16.5536 -24.7769 16.5536 -0.0463995 12.3876 -24.777 12.3876 6.87934 GPRESSAVG: 4755000 -3.26024 15.7887 -24.197 16.5836 1.18853 11.234 -22.7636 13.6289 7.21823 TIMING: 4755000 CPU: 15036.4, 0.00316219/step Wall: 15036.4, 0.00316219/step, 0.215205 hours remaining, 237.195312 MB of memory in use. ENERGY: 4755000 4106.7022 20669.0665 14521.3977 239.0450 -203573.6006 2519.7905 0.0000 0.0000 51903.7130 -109613.8856 298.2914 -161517.5986 -109256.5660 298.8121 -128.8015 -104.9279 761961.8690 1.7994 1.7155 PRESSURE: 4755200 277.086 -241.59 34.0436 -241.59 -148.694 24.6625 34.0431 24.6613 162.613 GPRESSURE: 4755200 290.001 -178.011 74.9129 -198.765 -52.2263 81.6523 -36.9642 119.328 129.78 PRESSAVG: 4755200 49.7598 11.0285 12.2408 11.0285 -35.7937 24.0805 12.2409 24.0805 -19.5874 GPRESSAVG: 4755200 50.7202 8.227 14.0069 13.0137 -35.6559 25.0127 9.19152 23.2194 -20.716 TIMING: 4755200 CPU: 15037.1, 0.00315718/step Wall: 15037.1, 0.00315718/step, 0.214688 hours remaining, 237.195312 MB of memory in use. ENERGY: 4755200 4022.6855 20409.6905 14582.7403 247.2916 -203929.7502 2822.0464 0.0000 0.0000 52153.2917 -109692.0042 299.7257 -161845.2959 -109327.0863 298.8739 97.0020 122.5180 761075.3832 -1.8737 -1.8839 PRESSURE: 4755400 -8.22691 -226.093 -215.754 -226.093 -68.8457 117.012 -215.755 117.012 321.945 GPRESSURE: 4755400 78.0073 -148.802 -171.022 -198.541 -96.5488 78.0375 -119.742 98.376 354.879 PRESSAVG: 4755400 20.3806 -3.57647 11.3361 -3.5764 -65.047 16.093 11.3361 16.093 -13.7967 GPRESSAVG: 4755400 18.6667 -3.47297 11.0176 -1.20028 -65.2315 14.3518 12.5676 18.4543 -12.1078 TIMING: 4755400 CPU: 15037.7, 0.00315489/step Wall: 15037.7, 0.00315489/step, 0.214357 hours remaining, 237.195312 MB of memory in use. ENERGY: 4755400 4022.9637 20531.6337 14470.4170 236.1604 -203429.6838 2658.7993 0.0000 0.0000 51960.1709 -109549.5388 298.6158 -161509.7097 -109191.5970 299.2933 81.6242 112.1126 763132.5105 -19.4877 -19.5575 PRESSURE: 4755600 -1.49153 -11.3837 -195.472 -11.3844 -74.9901 -14.3171 -195.471 -14.3168 80.2297 GPRESSURE: 4755600 -7.9722 -121.832 -216.402 -83.9193 -32.9016 12.8041 -233.039 7.09891 129.389 PRESSAVG: 4755600 -8.49119 -40.2325 -33.0575 -40.2325 51.7787 -52.852 -33.0575 -52.852 -11.5339 GPRESSAVG: 4755600 -6.19441 -41.5689 -32.371 -42.7918 50.4862 -49.9297 -32.7169 -53.8092 -12.6623 TIMING: 4755600 CPU: 15038.3, 0.00316013/step Wall: 15038.3, 0.00316013/step, 0.214537 hours remaining, 237.195312 MB of memory in use. ENERGY: 4755600 4027.2408 20684.6133 14487.1989 227.5734 -203306.8338 2673.2778 0.0000 0.0000 51822.9711 -109383.9586 297.8273 -161206.9296 -109031.4496 299.3923 1.2494 29.5051 762935.5008 10.5845 10.5432 PRESSURE: 4755800 -31.4838 -28.049 61.4494 -28.0497 -62.1258 168.431 61.4504 168.432 7.59384 GPRESSURE: 4755800 -14.2354 104.84 78.8115 0.221588 19.3424 219.277 -16.0061 194.573 4.33774 PRESSAVG: 4755800 -45.7665 -52.4313 -32.8214 -52.4313 32.7578 -26.1985 -32.8214 -26.1985 26.0063 GPRESSAVG: 4755800 -46.2456 -49.5893 -34.0876 -51.192 33.1972 -27.1545 -33.3624 -26.8136 26.036 TIMING: 4755800 CPU: 15038.9, 0.0031521/step Wall: 15038.9, 0.0031521/step, 0.213818 hours remaining, 237.195312 MB of memory in use. ENERGY: 4755800 4012.2387 20477.8075 14495.2195 234.0122 -203470.1173 2675.4392 0.0000 0.0000 52251.4599 -109323.9404 300.2899 -161575.4003 -108948.1787 299.9262 -28.6719 3.1483 761563.8101 4.3325 4.3292 PRESSURE: 4756000 421.63 -206.757 -138.319 -206.757 -345.079 -110.236 -138.32 -110.236 -70.0383 GPRESSURE: 4756000 346.25 -108.58 -94.7147 -180.595 -275.344 -99.5638 -197.713 -63.5115 13.884 PRESSAVG: 4756000 -3.01745 -53.8801 -44.7493 -53.8801 17.644 9.2653 -44.7494 9.26527 -22.5269 GPRESSAVG: 4756000 -2.5081 -53.2211 -43.9193 -53.7317 17.3134 7.63986 -45.8184 9.02091 -22.8818 TIMING: 4756000 CPU: 15039.6, 0.00316744/step Wall: 15039.6, 0.00316744/step, 0.214682 hours remaining, 237.195312 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: 4756000 3993.2153 20755.6727 14529.7929 253.7501 -203455.4999 2500.7114 0.0000 0.0000 52085.2177 -109337.1398 299.3345 -161422.3575 -108978.5005 299.6114 2.1710 28.2633 760932.0849 -2.6335 -2.6922 PRESSURE: 4756200 149.252 131.937 68.2219 131.936 -23.715 -137.526 68.2219 -137.525 -32.8052 GPRESSURE: 4756200 212.17 196.133 109.942 215.109 37.9895 -105.037 179.309 -209.705 -68.5479 PRESSAVG: 4756200 17.7493 -41.2993 73.8566 -41.2994 -43.1804 -26.2191 73.8566 -26.2191 11.4636 GPRESSAVG: 4756200 16.8168 -41.7809 71.5925 -43.094 -41.9407 -24.2192 75.1091 -27.0087 10.8858 TIMING: 4756200 CPU: 15040.2, 0.00314573/step Wall: 15040.2, 0.00314573/step, 0.213036 hours remaining, 237.195312 MB of memory in use. ENERGY: 4756200 3992.4996 20586.5440 14554.9326 246.5881 -203489.5873 2638.0248 0.0000 0.0000 52072.2066 -109398.7916 299.2597 -161470.9982 -109037.3416 299.2481 30.9106 60.5371 759844.2020 -4.6558 -4.7460 LDB: ============= START OF LOAD BALANCING ============== 15052.7 LDB: ============== END OF LOAD BALANCING =============== 15052.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15052.7 LDB: ============= START OF LOAD BALANCING ============== 15053.1 LDB: Largest compute 7077 load 0.036186 is 18.5% of average load 0.195721 LDB: Average compute 0.004418 is 2.3% of average load 0.195721 LDB: TIME 15053.1 LOAD: AVG 0.195721 MAX 0.213222 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.359 MB LDB: TIME 15053.1 LOAD: AVG 0.195721 MAX 0.213222 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.359 MB LDB: TIME 15053.1 LOAD: AVG 0.195721 MAX 0.213222 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.359 MB LDB: ============== END OF LOAD BALANCING =============== 15053.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15053.1 PRESSURE: 4756400 247.772 249.98 23.877 249.98 -51.9042 202.113 23.8771 202.112 148.016 GPRESSURE: 4756400 173.614 176.023 -37.581 197.521 79.7261 157.584 61.2355 251.764 160.318 PRESSAVG: 4756400 -5.33836 -11.6107 -28.0737 -11.6107 -33.4645 26.8718 -28.0737 26.8718 9.80718 GPRESSAVG: 4756400 -5.25275 -11.9101 -27.268 -10.6114 -35.0172 24.8834 -27.7952 26.486 11.0823 TIMING: 4756400 CPU: 15040.9, 0.00321624/step Wall: 15040.9, 0.00321623/step, 0.217632 hours remaining, 235.906250 MB of memory in use. ENERGY: 4756400 4023.4532 20776.4326 14497.7259 260.0060 -203056.1653 2318.8509 0.0000 0.0000 51829.1401 -109350.5565 297.8628 -161179.6966 -108992.8790 299.7634 114.6278 137.8860 760723.3118 -9.6652 -9.7292 PRESSURE: 4756600 -310.544 -75.022 -142.408 -75.021 120.752 75.4881 -142.409 75.4879 278.614 GPRESSURE: 4756600 -245.481 11.3751 -98.0651 -98.7933 148.763 23.4998 -174.256 10.4553 278.899 PRESSAVG: 4756600 22.1882 -25.1949 -10.7079 -25.1949 7.74241 48.1253 -10.7079 48.1252 -6.54637 GPRESSAVG: 4756600 21.2602 -25.879 -10.1882 -26.5248 8.86615 47.5925 -11.0626 49.9522 -6.88003 TIMING: 4756600 CPU: 15041.5, 0.00317891/step Wall: 15041.5, 0.00317891/step, 0.21493 hours remaining, 236.421875 MB of memory in use. ENERGY: 4756600 3905.0628 20663.6515 14528.2932 276.5437 -203268.1580 2308.3732 0.0000 0.0000 52136.3337 -109449.8999 299.6282 -161586.2337 -109092.7327 299.4282 29.6072 60.7267 758003.5335 7.7947 7.7488 PRESSURE: 4756800 360.676 -27.7802 203.129 -27.781 -99.9856 20.6633 203.129 20.6625 -295.674 GPRESSURE: 4756800 336.902 146.121 233.778 -120.986 -37.067 -23.6088 142.416 57.9148 -265.437 PRESSAVG: 4756800 4.04655 -39.0905 -7.53388 -39.0905 40.9585 48.0693 -7.53393 48.0693 26.7633 GPRESSAVG: 4756800 5.70359 -39.833 -8.55631 -38.0113 38.8583 48.8043 -7.48159 47.3528 27.0374 TIMING: 4756800 CPU: 15042.1, 0.00315837/step Wall: 15042.1, 0.00315837/step, 0.213365 hours remaining, 236.488281 MB of memory in use. ENERGY: 4756800 3985.9870 20720.0514 14527.4208 255.5359 -203403.5379 2471.8966 0.0000 0.0000 52108.5752 -109334.0711 299.4687 -161442.6463 -108973.4933 299.6767 -11.6612 11.4660 758610.1348 23.9228 23.8664 PRESSURE: 4757000 10.6206 13.6097 6.34921 13.6094 -147.056 -52.4469 6.34926 -52.4464 -89.1098 GPRESSURE: 4757000 64.7452 -90.1714 81.772 149.262 -156.467 -65.9427 -36.2886 -79.1901 -61.1881 PRESSAVG: 4757000 55.2278 -11.4658 -9.17901 -11.4658 -49.1092 13.104 -9.17902 13.104 -9.15701 GPRESSAVG: 4757000 54.5758 -9.52309 -10.8901 -9.95087 -47.6475 13.2897 -9.57928 12.6599 -10.2915 TIMING: 4757000 CPU: 15042.8, 0.00316249/step Wall: 15042.8, 0.00316249/step, 0.213468 hours remaining, 236.488281 MB of memory in use. ENERGY: 4757000 4026.5856 20662.6748 14459.6964 257.0741 -203428.8790 2487.0312 0.0000 0.0000 52117.7029 -109418.1139 299.5212 -161535.8168 -109054.1140 299.8667 -75.1819 -50.9699 759934.8753 -1.0128 -1.1211 PRESSURE: 4757200 -310.372 -118.512 -7.33003 -118.512 -25.2448 -49.762 -7.33074 -49.7615 127.456 GPRESSURE: 4757200 -336.74 -136.861 2.83789 -167.165 87.4808 29.8002 123.017 -184.879 126.714 PRESSAVG: 4757200 -39.7689 22.8427 -5.80977 22.8427 49.9343 -45.572 -5.80979 -45.572 -5.07628 GPRESSAVG: 4757200 -40.9624 23.3809 -4.02409 20.4486 50.9604 -44.9421 -6.12309 -45.3649 -4.07753 TIMING: 4757200 CPU: 15043.4, 0.00319311/step Wall: 15043.4, 0.00319311/step, 0.215358 hours remaining, 236.488281 MB of memory in use. ENERGY: 4757200 4053.2759 20714.1660 14552.9356 230.0881 -203399.2331 2439.9008 0.0000 0.0000 52014.3520 -109394.5147 298.9272 -161408.8667 -109035.7804 299.5023 -69.3871 -40.8484 759979.4628 1.6964 1.9735 PRESSURE: 4757400 -294.367 -61.8489 82.0967 -61.8483 -166.622 67.1755 82.0973 67.1754 -10.8339 GPRESSURE: 4757400 -253.947 -89.3481 134.896 0.798592 -151.829 30.1386 167.344 22.6969 9.52041 PRESSAVG: 4757400 12.5719 11.3006 25.4789 11.3006 14.4671 -33.5228 25.4789 -33.5228 13.3166 GPRESSAVG: 4757400 13.476 10.242 25.4705 13.1161 13.8733 -34.9979 26.9624 -34.3234 12.3523 TIMING: 4757400 CPU: 15044, 0.00317238/step Wall: 15044, 0.00317238/step, 0.213783 hours remaining, 236.488281 MB of memory in use. ENERGY: 4757400 3972.2389 20585.5872 14566.2153 233.7921 -203293.3472 2510.0294 0.0000 0.0000 52031.7366 -109393.7477 299.0271 -161425.4843 -109031.7345 299.5530 -157.2741 -132.0852 760733.2143 13.4519 13.2339 PRESSURE: 4757600 -9.78802 133.98 377.813 133.979 -24.6277 70.2791 377.813 70.2786 -429.086 GPRESSURE: 4757600 -89.1059 64.4582 399.021 114.285 107.4 4.32811 248.163 25.2466 -381.24 PRESSAVG: 4757600 11.7335 -48.5848 20.5448 -48.5849 -22.3326 -12.6693 20.5448 -12.6694 -20.1373 GPRESSAVG: 4757600 11.5322 -50.254 19.7148 -46.9725 -22.5056 -13.3185 20.3588 -10.3273 -19.5035 TIMING: 4757600 CPU: 15044.7, 0.00318591/step Wall: 15044.7, 0.00318591/step, 0.214518 hours remaining, 236.488281 MB of memory in use. ENERGY: 4757600 3975.0297 20599.7141 14516.5036 228.6222 -203318.6292 2582.7635 0.0000 0.0000 51899.3958 -109516.6003 298.2665 -161415.9961 -109163.3816 299.2761 -154.5005 -120.9819 760863.1144 -10.2455 -10.1590 PRESSURE: 4757800 -204.419 108.503 -115.589 108.503 -279.083 24.6436 -115.589 24.6442 -190.711 GPRESSURE: 4757800 -99.7603 38.7636 -36.1848 179.896 -236.365 -77.1168 -233.944 12.5093 -259.321 PRESSAVG: 4757800 -38.316 -8.50671 23.9987 -8.5067 66.3242 20.016 23.9988 20.016 9.95026 GPRESSAVG: 4757800 -37.6974 -7.68163 26.4884 -8.77224 65.2898 22.8466 22.7106 15.106 10.3577 TIMING: 4757800 CPU: 15045.3, 0.00317319/step Wall: 15045.3, 0.00317319/step, 0.213485 hours remaining, 236.488281 MB of memory in use. ENERGY: 4757800 3967.8790 20575.3838 14476.7929 232.7938 -203759.6945 2826.7194 0.0000 0.0000 52159.1351 -109520.9904 299.7593 -161680.1256 -109151.3872 299.3168 -224.7377 -198.4822 761124.3850 12.6528 12.6500 PRESSURE: 4758000 -314.953 48.2809 -104.192 48.2813 13.5864 80.9077 -104.191 80.9076 226.155 GPRESSURE: 4758000 -213.641 46.951 -159.373 49.4326 -2.64104 36.4962 -2.14502 208.695 232.549 PRESSAVG: 4758000 -52.5539 2.53995 -15.4297 2.53997 46.4761 42.9284 -15.4296 42.9285 -5.26677 GPRESSAVG: 4758000 -52.8884 5.32859 -18.394 1.20825 46.4542 41.5292 -14.9153 46.1908 -5.09871 TIMING: 4758000 CPU: 15045.9, 0.00315505/step Wall: 15045.9, 0.00315505/step, 0.21209 hours remaining, 236.503906 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: 4758000 3909.0635 20442.0407 14425.7642 241.2422 -203553.3211 2648.4567 0.0000 0.0000 52309.8635 -109576.8902 300.6255 -161886.7538 -109211.3430 298.6861 -25.0705 5.4221 761886.6204 -3.7815 -3.8443 PRESSURE: 4758200 -69.727 153.699 194.616 153.698 -292.064 -62.1768 194.615 -62.1778 152.861 GPRESSURE: 4758200 -74.4798 182.301 153.099 32.456 -273.426 -0.964378 166.937 3.52273 215.162 PRESSAVG: 4758200 -2.00085 -13.431 9.85595 -13.4309 -26.3457 49.7952 9.85593 49.7953 -3.96635 GPRESSAVG: 4758200 -0.884348 -12.6917 10.4869 -13.4845 -25.475 49.8484 9.6483 47.7935 -5.9148 TIMING: 4758200 CPU: 15046.6, 0.00316873/step Wall: 15046.6, 0.00316873/step, 0.212833 hours remaining, 236.503906 MB of memory in use. ENERGY: 4758200 3919.5105 20734.3279 14421.5302 254.6024 -203025.1300 2138.0513 0.0000 0.0000 51725.6341 -109831.4735 297.2679 -161557.1076 -109474.3533 298.6876 -69.6434 -44.2480 762119.2747 -10.7710 -10.7580 PRESSURE: 4758400 129.782 -144.767 0.805757 -144.766 96.2412 -79.0504 0.806039 -79.051 347.777 GPRESSURE: 4758400 149.223 -142.077 15.8918 -25.6939 150.724 -112.012 18.2088 -182.346 331.543 PRESSAVG: 4758400 29.4152 35.5384 -20.5133 35.5383 -46.3083 3.98872 -20.5133 3.98873 8.59135 GPRESSAVG: 4758400 28.9297 33.5387 -19.3942 36.4253 -47.7649 3.16729 -18.1093 6.87656 10.2097 TIMING: 4758400 CPU: 15047.2, 0.00315396/step Wall: 15047.2, 0.00315396/step, 0.211665 hours remaining, 236.503906 MB of memory in use. ENERGY: 4758400 3963.8650 20462.8368 14439.3412 252.0579 -204358.5613 2917.5861 0.0000 0.0000 52424.5790 -109898.2952 301.2848 -162322.8742 -109531.2586 298.4727 191.2669 210.4967 758461.8529 -2.7672 -2.8752 PRESSURE: 4758600 -6.74517 -45.8741 112.251 -45.8739 277.024 -77.3286 112.251 -77.3293 19.9939 GPRESSURE: 4758600 26.9364 -36.1449 64.5828 18.2646 307.98 -24.1143 84.9985 -24.8031 42.7069 PRESSAVG: 4758600 -29.6997 -25.4978 -26.9203 -25.4978 50.1884 11.753 -26.9204 11.7529 15.4288 GPRESSAVG: 4758600 -30.0972 -25.3128 -26.2981 -25.3381 50.9941 12.2558 -27.6029 11.4445 15.4214 TIMING: 4758600 CPU: 15047.8, 0.00317002/step Wall: 15047.8, 0.00317002/step, 0.212567 hours remaining, 236.503906 MB of memory in use. ENERGY: 4758600 4029.7302 20637.9542 14443.8199 264.0014 -204128.8271 2716.5581 0.0000 0.0000 51961.9069 -110074.8564 298.6258 -162036.7633 -109711.1936 298.7527 96.7575 125.8745 758853.0437 11.9725 12.1061 PRESSURE: 4758800 -0.189004 111.807 2.98064 111.808 186.392 200.555 2.98088 200.555 -249.026 GPRESSURE: 4758800 14.5863 27.1586 15.5155 180.487 203.031 219.329 26.8448 165.658 -199.923 PRESSAVG: 4758800 -33.5938 -0.0460906 2.50483 -0.0461387 53.4045 20.4952 2.50486 20.495 20.0427 GPRESSAVG: 4758800 -34.1678 -0.967587 1.58148 -1.71233 52.7015 22.3482 0.0583582 18.8638 20.6902 TIMING: 4758800 CPU: 15048.5, 0.00317792/step Wall: 15048.5, 0.00317792/step, 0.21292 hours remaining, 236.503906 MB of memory in use. ENERGY: 4758800 4064.7302 20625.7240 14426.1132 250.3090 -204080.0034 2822.8876 0.0000 0.0000 51848.6354 -110041.6040 297.9748 -161890.2394 -109680.7635 298.6133 -20.9410 5.8981 759012.5374 13.2844 13.0747 PRESSURE: 4759000 315.139 -124.287 -81.9389 -124.286 37.7471 -263.297 -81.9385 -263.296 24.8221 GPRESSURE: 4759000 351.365 -32.2484 -82.1495 -232.609 111.698 -302.195 -73.8044 -374.246 -1.52095 PRESSAVG: 4759000 33.0736 -11.4391 3.11876 -11.4391 -30.685 2.6524 3.11876 2.65247 4.04468 GPRESSAVG: 4759000 34.0448 -11.3165 3.28979 -9.50204 -29.7298 2.64952 5.69763 2.36114 1.96334 TIMING: 4759000 CPU: 15049.1, 0.00318031/step Wall: 15049.1, 0.00318031/step, 0.212904 hours remaining, 236.503906 MB of memory in use. ENERGY: 4759000 4052.2708 20585.1153 14488.1790 231.7283 -203691.6093 2623.9774 0.0000 0.0000 51979.8368 -109730.5018 298.7288 -161710.3387 -109361.3353 298.4549 125.9028 153.8475 759233.7041 2.1444 2.0928 PRESSURE: 4759200 -84.8136 51.6548 -152.207 51.6544 154.278 75.483 -152.207 75.4829 307.827 GPRESSURE: 4759200 -99.1789 -97.4891 -71.7664 32.5746 229.702 82.6711 -36.0923 166.826 322.264 PRESSAVG: 4759200 12.3568 -36.4118 -15.5742 -36.4118 9.31241 -2.73572 -15.5741 -2.73574 7.77655 GPRESSAVG: 4759200 11.9802 -36.1368 -14.7735 -36.6373 8.61908 -2.779 -17.2071 -2.29403 8.7312 TIMING: 4759200 CPU: 15049.7, 0.00316042/step Wall: 15049.7, 0.00316042/step, 0.211397 hours remaining, 236.503906 MB of memory in use. ENERGY: 4759200 4034.2617 20696.8910 14453.0025 247.7579 -203787.2966 2538.6743 0.0000 0.0000 51970.8130 -109845.8962 298.6770 -161816.7092 -109478.6192 298.9946 125.7637 150.9288 758375.2049 9.8153 9.7768 PRESSURE: 4759400 100.757 -72.8899 -48.8897 -72.8895 -397.584 179.428 -48.8891 179.429 62.908 GPRESSURE: 4759400 116.547 -130.215 -118.319 39.3878 -352.731 226.909 216.556 203.739 93.337 PRESSAVG: 4759400 8.82582 -10.2269 -57.6855 -10.2269 -9.26219 -33.3995 -57.6855 -33.3996 7.53691 GPRESSAVG: 4759400 9.21799 -11.5168 -58.8304 -9.20262 -9.48041 -34.0965 -57.0085 -32.4697 6.67906 TIMING: 4759400 CPU: 15050.4, 0.00314978/step Wall: 15050.4, 0.00314978/step, 0.21051 hours remaining, 236.503906 MB of memory in use. ENERGY: 4759400 3942.0883 20627.7245 14399.0653 251.1208 -203582.8600 2528.8242 0.0000 0.0000 52064.2248 -109769.8121 299.2138 -161834.0369 -109407.9023 299.2171 -77.9732 -47.6159 758560.1469 2.3668 2.1389 PRESSURE: 4759600 -1.07251 49.364 64.2276 49.3646 158.231 -0.202435 64.2284 -0.202082 114.649 GPRESSURE: 4759600 138.404 -14.5975 41.2406 -29.8038 200.272 -138.528 110.435 28.9746 15.2192 PRESSAVG: 4759600 50.888 7.30855 -13.3247 7.30846 -25.1321 -3.1135 -13.3248 -3.11345 12.634 GPRESSAVG: 4759600 50.156 10.1492 -13.2228 4.61598 -24.1222 -4.61112 -13.1128 -4.9383 12.6013 TIMING: 4759600 CPU: 15051, 0.00315939/step Wall: 15051, 0.0031594/step, 0.210977 hours remaining, 236.503906 MB of memory in use. ENERGY: 4759600 3993.9473 20494.4870 14472.2236 226.6257 -203526.8108 2566.1018 0.0000 0.0000 51777.8210 -109995.6044 297.5678 -161773.4254 -109632.6573 298.3687 90.6026 117.9652 760470.3927 12.7966 12.8784 PRESSURE: 4759800 7.6296 41.5037 -46.3842 41.5044 111.374 -301.714 -46.3841 -301.714 -87.6663 GPRESSURE: 4759800 86.6485 38.1773 -9.90674 39.7837 77.2267 -153.18 -0.884432 -187.594 -31.9307 PRESSAVG: 4759800 25.9908 -3.35553 -4.33518 -3.3555 -32.6352 -6.6353 -4.33516 -6.63531 -4.39243 GPRESSAVG: 4759800 25.5004 -4.29645 -3.10228 -2.16892 -33.1732 -5.51722 -5.76438 -4.5292 -2.94186 TIMING: 4759800 CPU: 15051.6, 0.00315794/step Wall: 15051.6, 0.00315794/step, 0.210705 hours remaining, 236.503906 MB of memory in use. ENERGY: 4759800 3972.5519 20429.7068 14420.0313 243.9678 -203843.1180 2785.9416 0.0000 0.0000 52185.8566 -109805.0620 299.9128 -161990.9185 -109429.4283 298.5641 10.4456 43.9815 761352.3498 -3.6789 -3.5382 PRESSURE: 4760000 55.7579 -42.756 -40.6037 -42.7553 -175.23 -119.832 -40.6043 -119.832 -49.5411 GPRESSURE: 4760000 116.061 7.32314 -71.4767 -72.1011 -209.845 -71.7462 5.3771 -66.5784 20.7832 PRESSAVG: 4760000 -20.0999 47.8625 41.0711 47.8625 35.4179 35.5794 41.0711 35.5796 -17.4925 GPRESSAVG: 4760000 -19.7047 47.3306 38.6834 48.7622 35.681 36.7614 40.7064 34.8965 -17.8761 TIMING: 4760000 CPU: 15052.3, 0.00318245/step Wall: 15052.3, 0.00318245/step, 0.212164 hours remaining, 236.503906 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: 4760000 4076.9898 20656.5554 14549.8661 243.2364 -203797.2769 2780.9664 0.0000 0.0000 51785.2347 -109704.4280 297.6105 -161489.6628 -109350.6965 298.8416 -56.3378 -24.3336 761791.9259 -0.7248 -0.6333 PRESSURE: 4760200 190.057 171.88 120.124 171.881 174.338 21.5956 120.124 21.5958 151.474 GPRESSURE: 4760200 276.682 123.612 82.0233 170.66 304.114 -97.8555 168.24 142.815 39.8735 PRESSAVG: 4760200 20.1707 24.3672 -41.1947 24.3672 -41.0829 38.5184 -41.1947 38.5184 -12.2345 GPRESSAVG: 4760200 19.4822 25.612 -40.5918 21.9716 -41.1585 37.203 -40.0702 38.552 -11.8632 TIMING: 4760200 CPU: 15052.9, 0.00316067/step Wall: 15052.9, 0.00316067/step, 0.210535 hours remaining, 236.503906 MB of memory in use. ENERGY: 4760200 3997.3619 20767.1121 14445.5967 255.5323 -203948.4982 2971.5257 0.0000 0.0000 51905.0125 -109606.3570 298.2988 -161511.3694 -109254.4456 298.8734 171.9564 206.8898 759395.0275 -11.0489 -11.1798 LDB: ============= START OF LOAD BALANCING ============== 15065.4 LDB: ============== END OF LOAD BALANCING =============== 15065.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15065.4 LDB: ============= START OF LOAD BALANCING ============== 15065.7 LDB: Largest compute 7077 load 0.036049 is 18.4% of average load 0.195717 LDB: Average compute 0.004403 is 2.2% of average load 0.195717 LDB: TIME 15065.7 LOAD: AVG 0.195717 MAX 0.215881 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.785 MB LDB: TIME 15065.7 LOAD: AVG 0.195717 MAX 0.215881 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.859 MB LDB: TIME 15065.7 LOAD: AVG 0.195717 MAX 0.215881 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.859 MB LDB: ============== END OF LOAD BALANCING =============== 15065.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15065.8 PRESSURE: 4760400 -146.482 104.123 70.0474 104.124 -418.444 269.528 70.0466 269.528 -512.115 GPRESSURE: 4760400 -101.093 -24.0139 83.5602 168.19 -459.299 281.309 57.6848 156.712 -415.74 PRESSAVG: 4760400 -22.5375 30.2402 -12.9163 30.2402 27.8184 36.6207 -12.9163 36.6207 2.07042 GPRESSAVG: 4760400 -20.944 28.5561 -12.451 31.4308 27.4934 36.1719 -12.9449 35.4214 1.39361 TIMING: 4760400 CPU: 15053.5, 0.00321557/step Wall: 15053.5, 0.00321557/step, 0.214014 hours remaining, 236.187500 MB of memory in use. ENERGY: 4760400 4018.7476 20609.9401 14472.0347 257.1700 -203210.4046 2338.8044 0.0000 0.0000 51868.9954 -109644.7124 298.0918 -161513.7078 -109284.2217 299.4355 -359.0133 -325.3776 760141.0720 2.4504 2.6477 PRESSURE: 4760600 -145.043 78.4026 115.378 78.4035 190.27 3.59466 115.378 3.594 46.7856 GPRESSURE: 4760600 -106.737 179.883 216.407 135.865 187.211 -19.2621 201.131 140.074 109.948 PRESSAVG: 4760600 51.4463 69.7934 33.9815 69.7934 -41.5884 2.47077 33.9816 2.47084 -16.7587 GPRESSAVG: 4760600 51.1098 69.9387 36.9797 70.8738 -41.5242 2.21968 34.9438 3.25427 -16.9319 TIMING: 4760600 CPU: 15054.2, 0.00315335/step Wall: 15054.2, 0.00315335/step, 0.209698 hours remaining, 236.187500 MB of memory in use. ENERGY: 4760600 4003.8913 20573.8386 14404.7813 232.1067 -203834.3350 2972.1175 0.0000 0.0000 51953.8920 -109693.7075 298.5797 -161647.5995 -109334.9281 298.9232 30.6711 63.4741 761912.3419 -2.3003 -2.4488 PRESSURE: 4760800 -215.972 51.148 -67.6738 51.1468 -53.1902 92.8183 -67.6741 92.8195 -303.392 GPRESSURE: 4760800 -236.402 65.8831 -130.471 33.1423 13.1317 15.2108 -133.789 82.7542 -255.917 PRESSAVG: 4760800 33.5617 4.32505 23.8202 4.32502 11.1486 23.0155 23.8202 23.0155 8.95378 GPRESSAVG: 4760800 33.2116 5.36659 22.1273 6.09315 11.6359 24.9307 22.4826 23.4676 9.00571 TIMING: 4760800 CPU: 15054.8, 0.00316724/step Wall: 15054.8, 0.00316724/step, 0.210446 hours remaining, 236.187500 MB of memory in use. ENERGY: 4760800 4017.7321 20750.4988 14409.5677 243.8009 -203580.1768 2669.0407 0.0000 0.0000 51894.0300 -109595.5066 298.2357 -161489.5366 -109229.7709 299.4999 -190.8515 -159.7293 760403.8024 17.8880 17.9511 PRESSURE: 4761000 -114.501 137.498 29.4829 137.496 16.4661 8.87223 29.4824 8.87287 232.938 GPRESSURE: 4761000 -72.7325 143.386 84.5232 129.78 82.4827 25.5496 36.8991 76.2561 222.618 PRESSAVG: 4761000 18.0263 31.5457 9.58351 31.5457 -37.7202 32.3056 9.58358 32.3056 -2.20899 GPRESSAVG: 4761000 17.3478 32.8838 8.39168 28.1308 -37.2765 31.0438 9.49235 33.228 -1.99344 TIMING: 4761000 CPU: 15055.4, 0.00318091/step Wall: 15055.4, 0.00318091/step, 0.211177 hours remaining, 236.429688 MB of memory in use. ENERGY: 4761000 4026.9319 20518.4444 14443.9275 263.9496 -203699.8973 2836.1000 0.0000 0.0000 51976.0936 -109634.4502 298.7073 -161610.5438 -109257.7164 298.8719 44.9678 77.4562 760998.0197 -7.3009 -7.3074 PRESSURE: 4761200 692.653 86.6712 -40.4729 86.6714 336.315 13.8642 -40.472 13.865 482.489 GPRESSURE: 4761200 701.448 119.993 -38.1946 107.668 367.078 -16.7351 -51.6253 53.5793 505.657 PRESSAVG: 4761200 -30.8804 37.908 -18.0823 37.908 -13.8027 5.21512 -18.0823 5.21515 -6.22913 GPRESSAVG: 4761200 -31.1082 38.1059 -18.9295 38.4003 -14.3983 6.43425 -18.6836 3.79721 -5.52017 TIMING: 4761200 CPU: 15056.1, 0.00316892/step Wall: 15056.1, 0.00316892/step, 0.210205 hours remaining, 236.496094 MB of memory in use. ENERGY: 4761200 3927.7084 20715.6288 14427.2603 234.4656 -203940.1469 3074.5797 0.0000 0.0000 52114.3012 -109446.2029 299.5016 -161560.5041 -109077.0270 299.2230 503.8189 524.7276 760577.6207 -16.9707 -17.0089 PRESSURE: 4761400 -92.9572 -99.2583 139.82 -99.2593 -188.76 2.51908 139.819 2.51984 -141.625 GPRESSURE: 4761400 -113.38 62.0732 77.2591 -49.3971 -69.5871 47.5278 186.632 10.3966 -151.423 PRESSAVG: 4761400 54.4874 8.61835 -14.641 8.61831 -48.0084 37.601 -14.641 37.601 -20.4416 GPRESSAVG: 4761400 54.7641 7.41908 -14.8351 10.2297 -47.3395 37.4098 -11.2127 38.0901 -20.6806 TIMING: 4761400 CPU: 15056.7, 0.0031667/step Wall: 15056.7, 0.0031667/step, 0.209882 hours remaining, 236.496094 MB of memory in use. ENERGY: 4761400 4071.1599 20669.7836 14487.5798 235.7821 -203450.5813 2496.5522 0.0000 0.0000 52127.2498 -109362.4740 299.5760 -161489.7238 -108996.3274 299.5363 -141.1142 -111.4634 760915.6334 -4.6542 -4.4187 PRESSURE: 4761600 -344.531 -89.0513 88.9112 -89.0509 -193.967 35.6587 88.911 35.6583 -561.817 GPRESSURE: 4761600 -259.396 -79.0302 34.7231 -84.6401 -146.927 52.9731 163.243 150.496 -588.419 PRESSAVG: 4761600 7.35717 22.1684 24.7092 22.1686 23.9123 -8.00261 24.7092 -8.00258 26.0183 GPRESSAVG: 4761600 6.45032 23.1069 25.2095 20.0909 24.4102 -7.33302 22.7239 -8.57515 26.8195 TIMING: 4761600 CPU: 15057.3, 0.00315383/step Wall: 15057.3, 0.00315383/step, 0.208854 hours remaining, 236.566406 MB of memory in use. ENERGY: 4761600 4115.1468 20559.5153 14483.9191 237.9074 -203515.4536 2598.0039 0.0000 0.0000 52100.8383 -109420.1228 299.4242 -161520.9612 -109050.8110 299.4852 -366.7715 -331.5808 760320.7412 19.0959 19.2267 PRESSURE: 4761800 -115.945 -100.915 -36.817 -100.915 -15.6957 -22.5669 -36.8174 -22.5669 132.093 GPRESSURE: 4761800 -92.1007 -59.2241 -44.3662 -146.207 31.6314 19.1184 -4.83363 -143.245 154.486 PRESSAVG: 4761800 -41.7638 -28.2531 19.2225 -28.253 38.7413 -27.7748 19.2224 -27.7748 3.10381 GPRESSAVG: 4761800 -40.0684 -28.6542 20.646 -28.2305 38.3983 -27.2451 18.7494 -29.7231 1.64593 TIMING: 4761800 CPU: 15058, 0.0031857/step Wall: 15058, 0.0031857/step, 0.210787 hours remaining, 236.566406 MB of memory in use. ENERGY: 4761800 4026.7609 20641.7293 14509.6348 247.5745 -202875.3947 2174.5162 0.0000 0.0000 52082.6758 -109192.5033 299.3199 -161275.1791 -108833.3321 299.8154 0.1507 31.3389 761206.1084 0.0271 -0.0080 PRESSURE: 4762000 18.8315 -6.61001 25.9719 -6.60974 92.6871 -59.2186 25.972 -59.2178 190.045 GPRESSURE: 4762000 91.836 -16.9477 53.2337 41.3133 87.2821 44.8532 76.5481 22.775 204.155 PRESSAVG: 4762000 -4.74571 -37.4255 16.3895 -37.4255 39.6862 -6.29381 16.3895 -6.29377 4.62626 GPRESSAVG: 4762000 -5.67092 -37.4125 16.5952 -35.3708 39.9138 -7.05498 17.6709 -4.59848 4.73244 TIMING: 4762000 CPU: 15058.6, 0.00316454/step Wall: 15058.6, 0.00316454/step, 0.209211 hours remaining, 236.566406 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: 4762000 4015.3415 20540.6155 14425.2692 236.9785 -203698.2987 2802.5206 0.0000 0.0000 52191.8161 -109485.7573 299.9471 -161677.5734 -109114.4314 299.7472 100.5210 127.7576 760850.7349 13.1889 12.9918 PRESSURE: 4762200 63.7723 -161.563 -136.899 -161.563 -359.761 38.8887 -136.898 38.8887 334.527 GPRESSURE: 4762200 165.066 -86.425 -188.32 -158.272 -332.199 8.9345 -265.032 42.5186 289.978 PRESSAVG: 4762200 17.6914 -33.1542 6.13906 -33.1542 -0.542262 -55.0791 6.13905 -55.0791 0.204951 GPRESSAVG: 4762200 18.4534 -33.2028 5.93023 -34.2695 -2.08147 -57.5184 6.2055 -54.685 1.58106 TIMING: 4762200 CPU: 15059.2, 0.00317033/step Wall: 15059.2, 0.00317033/step, 0.209418 hours remaining, 236.566406 MB of memory in use. ENERGY: 4762200 3955.8098 20487.1698 14468.6755 245.3546 -203685.3546 2678.7728 0.0000 0.0000 52115.6537 -109733.9184 299.5094 -161849.5721 -109363.9898 299.2858 12.8461 40.9485 761727.0232 5.7847 5.9843 PRESSURE: 4762400 -213.17 90.5687 21.8423 90.5681 367.804 -18.2253 21.8426 -18.2249 4.5768 GPRESSURE: 4762400 -125.65 -3.3915 22.3233 -5.78761 294.669 -113.814 -9.54155 -86.3783 65.8178 PRESSAVG: 4762400 9.58185 2.54002 -4.69259 2.54009 -36.8359 -41.6815 -4.69266 -41.6815 10.4032 GPRESSAVG: 4762400 9.4038 3.02934 -5.11383 0.233422 -36.6464 -40.2082 -4.11809 -40.9068 9.8669 TIMING: 4762400 CPU: 15059.9, 0.00316115/step Wall: 15059.9, 0.00316115/step, 0.208636 hours remaining, 236.566406 MB of memory in use. ENERGY: 4762400 3955.1039 20486.4698 14498.4186 251.3371 -203647.0565 2440.4864 0.0000 0.0000 52076.3682 -109938.8725 299.2836 -162015.2407 -109571.9802 298.6332 53.0702 78.2788 761115.8118 -5.6169 -5.7919 PRESSURE: 4762600 272.297 -232.48 32.0258 -232.48 -532.284 -292.701 32.0258 -292.701 233.717 GPRESSURE: 4762600 148.253 -229.116 84.0867 -244.151 -337.507 -233.895 -42.6144 -304.375 260.299 PRESSAVG: 4762600 4.94361 31.5065 -0.684253 31.5066 58.1341 -53.2656 -0.684246 -53.2656 18.3989 GPRESSAVG: 4762600 4.63281 29.1435 -0.534984 34.1543 58.5583 -53.1581 -2.04624 -54.4554 18.0236 TIMING: 4762600 CPU: 15060.5, 0.00317643/step Wall: 15060.5, 0.00317643/step, 0.209468 hours remaining, 236.566406 MB of memory in use. ENERGY: 4762600 4008.2739 20417.0955 14477.9551 237.1738 -203638.7720 2557.2540 0.0000 0.0000 51960.4407 -109980.5789 298.6174 -161941.0196 -109617.9325 298.6413 -8.7566 23.6817 761318.5276 27.1589 27.0716 PRESSURE: 4762800 -169.069 -79.2327 66.0624 -79.2332 -152.708 -33.5034 66.0627 -33.5043 -234.223 GPRESSURE: 4762800 -194.014 34.9696 67.2257 -25.363 -67.175 -40.329 144.653 25.1872 -188.005 PRESSAVG: 4762800 -8.18127 -9.68314 -24.4918 -9.6832 -31.9488 -34.4196 -24.4918 -34.4196 -0.767413 GPRESSAVG: 4762800 -8.78118 -7.56503 -21.1242 -8.63928 -30.3405 -34.5166 -25.3069 -33.0187 -1.42864 TIMING: 4762800 CPU: 15061.1, 0.00316383/step Wall: 15061.1, 0.00316383/step, 0.208461 hours remaining, 236.566406 MB of memory in use. ENERGY: 4762800 3981.2249 20384.4545 14474.7876 257.0067 -203243.0579 2371.3602 0.0000 0.0000 51732.7319 -110041.4921 297.3087 -161774.2240 -109684.6755 297.8313 -185.3332 -149.7316 761432.9027 -13.6325 -13.5168 PRESSURE: 4763000 49.5332 7.71937 -39.7809 7.7206 231.532 -66.2018 -39.7817 -66.2018 151.863 GPRESSURE: 4763000 114.648 24.4744 -130.022 -90.6362 162.616 -43.3859 -97.8528 -71.5898 221.229 PRESSAVG: 4763000 -17.6115 -37.9037 30.5716 -37.9036 -14.6841 -22.3983 30.5716 -22.3984 -12.7828 GPRESSAVG: 4763000 -15.6873 -37.7566 27.6312 -38.9035 -17.3718 -24.0957 31.4316 -21.9231 -11.9321 TIMING: 4763000 CPU: 15061.8, 0.00315653/step Wall: 15061.8, 0.00315653/step, 0.207805 hours remaining, 236.566406 MB of memory in use. ENERGY: 4763000 4016.3532 20304.4892 14468.3983 235.5145 -203965.4753 2661.0160 0.0000 0.0000 51976.2776 -110303.4266 298.7084 -162279.7041 -109942.8015 297.4609 144.3094 166.1644 760079.3894 -15.0261 -14.9971 PRESSURE: 4763200 128.586 -165.993 67.0048 -165.993 151.876 -92.7667 67.005 -92.7667 534.311 GPRESSURE: 4763200 162.717 -197.835 -47.9762 -123.814 202.564 -109.1 29.5687 -31.5539 543.599 PRESSAVG: 4763200 14.1202 -14.167 32.9995 -14.167 15.031 -1.09146 32.9995 -1.09142 -11.6678 GPRESSAVG: 4763200 12.8231 -13.9806 33.362 -15.0723 17.103 -0.274433 32.7339 -1.99415 -12.3749 TIMING: 4763200 CPU: 15062.4, 0.00318876/step Wall: 15062.4, 0.00318876/step, 0.20975 hours remaining, 236.566406 MB of memory in use. ENERGY: 4763200 3966.4826 20459.4440 14499.9941 234.2809 -204055.5949 2858.6494 0.0000 0.0000 51842.6460 -110194.0979 297.9404 -162036.7439 -109836.2948 297.8329 271.5909 302.9600 759010.1133 5.8278 5.8504 PRESSURE: 4763400 231.402 -111.85 73.2177 -111.85 -3.21098 153.82 73.2183 153.82 197.9 GPRESSURE: 4763400 190.09 -37.6083 108.067 -15.3373 118.655 135.432 -95.2254 5.50815 193.393 PRESSAVG: 4763400 -38.9931 -59.4772 28.1343 -59.4772 -5.73709 -34.3497 28.1343 -34.3497 19.0148 GPRESSAVG: 4763400 -38.5279 -59.7989 29.3039 -58.765 -6.56341 -33.4766 28.7691 -35.1764 19.1509 TIMING: 4763400 CPU: 15063, 0.00320978/step Wall: 15063, 0.00320978/step, 0.210954 hours remaining, 236.566406 MB of memory in use. ENERGY: 4763400 3937.0651 20236.6348 14510.9564 224.9132 -204192.2931 3189.0348 0.0000 0.0000 51833.6659 -110260.0230 297.8888 -162093.6889 -109897.3225 297.6929 142.0304 167.3791 761112.0423 -8.5718 -8.6468 PRESSURE: 4763600 -116.291 -30.0168 85.0547 -30.0161 10.8776 79.0997 85.0548 79.1 203.405 GPRESSURE: 4763600 -5.04338 -49.0546 98.8643 35.0288 -60.3142 12.7459 19.2014 135.593 262.66 PRESSAVG: 4763600 1.19905 -39.9219 8.17807 -39.9219 -10.8124 -45.5118 8.17802 -45.5118 -12.3491 GPRESSAVG: 4763600 -0.791834 -38.9691 6.37475 -40.3985 -10.4239 -46.6556 7.8941 -45.2864 -11.3235 TIMING: 4763600 CPU: 15063.7, 0.00317105/step Wall: 15063.7, 0.00317105/step, 0.208232 hours remaining, 236.566406 MB of memory in use. ENERGY: 4763600 3934.6828 20321.2893 14478.9598 235.7369 -203585.0489 2706.5352 0.0000 0.0000 51762.5932 -110145.2517 297.4803 -161907.8449 -109780.4359 297.4936 32.6637 65.7675 759824.2843 -7.3208 -7.5131 PRESSURE: 4763800 59.3482 -178.653 236.74 -178.655 -272.562 107.57 236.74 107.569 231.601 GPRESSURE: 4763800 24.4603 -217.417 237.966 -195.539 -104.885 -27.8516 252.862 167.665 166.398 PRESSAVG: 4763800 18.0898 -17.0073 28.7304 -17.0073 -20.757 45.6424 28.7304 45.6423 8.34216 GPRESSAVG: 4763800 19.3668 -18.086 28.8876 -16.7741 -20.3648 46.5788 31.3499 46.2429 6.51034 TIMING: 4763800 CPU: 15064.3, 0.00316991/step Wall: 15064.3, 0.00316991/step, 0.207981 hours remaining, 236.566406 MB of memory in use. ENERGY: 4763800 3961.5741 20485.2402 14508.5806 239.8593 -204257.7156 2899.1023 0.0000 0.0000 51919.0458 -110244.3133 298.3795 -162163.3591 -109881.5716 297.6391 6.1289 28.6578 760408.3395 1.8917 1.8375 PRESSURE: 4764000 -109.751 -112.278 105.983 -112.278 148.153 183.006 105.984 183.006 100.927 GPRESSURE: 4764000 -51.6278 -91.2969 109.059 -91.9993 143.933 212.288 150.375 168.911 118.614 PRESSAVG: 4764000 -12.9476 -44.8757 11.77 -44.8758 40.5452 -2.81115 11.77 -2.81118 14.1728 GPRESSAVG: 4764000 -13.3402 -43.9639 11.3773 -43.911 39.9605 -3.62095 9.76693 -2.93692 15.5009 TIMING: 4764000 CPU: 15064.9, 0.00316605/step Wall: 15064.9, 0.00316605/step, 0.207552 hours remaining, 236.566406 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: 4764000 3997.2674 20432.2261 14501.8788 262.1279 -203494.5255 2711.5795 0.0000 0.0000 51554.6882 -110034.7577 296.2855 -161589.4459 -109677.4106 297.8057 46.4430 70.3065 761068.5233 13.9235 14.0404 PRESSURE: 4764200 -188.922 -176.71 -101.189 -176.711 -153.447 197.486 -101.188 197.486 -216.218 GPRESSURE: 4764200 -206.573 -95.5359 -64.2945 -300.877 -81.1789 172.927 -102.12 180.819 -195.512 PRESSAVG: 4764200 -63.4257 -36.9988 -22.579 -36.9988 66.6206 -12.3768 -22.579 -12.3769 -19.9053 GPRESSAVG: 4764200 -63.2899 -37.4881 -21.5316 -37.071 66.7236 -11.7992 -22.0931 -12.0078 -20.9289 TIMING: 4764200 CPU: 15065.6, 0.00317505/step Wall: 15065.6, 0.00317505/step, 0.207965 hours remaining, 236.566406 MB of memory in use. ENERGY: 4764200 3937.6956 20588.7632 14545.9128 233.6050 -203590.3066 2622.2000 0.0000 0.0000 51653.1205 -110009.0095 296.8512 -161662.1300 -109645.1124 297.9917 -186.1956 -161.0879 759534.2602 -5.5701 -5.8317 LDB: ============= START OF LOAD BALANCING ============== 15078.1 LDB: ============== END OF LOAD BALANCING =============== 15078.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15078.1 LDB: ============= START OF LOAD BALANCING ============== 15078.4 LDB: Largest compute 7077 load 0.037463 is 19.1% of average load 0.195672 LDB: Average compute 0.004367 is 2.2% of average load 0.195672 LDB: TIME 15078.4 LOAD: AVG 0.195672 MAX 0.216539 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 15078.4 LOAD: AVG 0.195672 MAX 0.216539 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: TIME 15078.4 LOAD: AVG 0.195672 MAX 0.216539 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.656 MB LDB: ============== END OF LOAD BALANCING =============== 15078.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15078.4 PRESSURE: 4764400 66.156 -118.912 -61.9755 -118.913 159.414 43.0313 -61.9757 43.0316 -217.593 GPRESSURE: 4764400 85.2698 -104.079 -5.32101 -152.648 251.815 19.9852 -113.243 51.5142 -237.35 PRESSAVG: 4764400 14.3369 -62.6494 8.77252 -62.6495 -25.4819 -6.01866 8.7725 -6.01872 1.30874 GPRESSAVG: 4764400 13.9408 -66.5378 9.51683 -62.0423 -25.7521 -7.20731 8.08086 -5.53884 2.3201 TIMING: 4764400 CPU: 15066.2, 0.00322828/step Wall: 15066.2, 0.00322827/step, 0.211273 hours remaining, 236.933594 MB of memory in use. ENERGY: 4764400 3981.0032 20508.2104 14484.3632 241.4746 -203796.7448 2524.9034 0.0000 0.0000 51683.0348 -110373.7553 297.0231 -162056.7900 -110017.7917 297.8604 2.6590 33.2448 759604.8573 -3.2787 -3.1637 PRESSURE: 4764600 -31.4478 -98.9798 -158.017 -98.9802 -230.041 48.3476 -158.017 48.3477 -219.27 GPRESSURE: 4764600 -35.6358 -115.254 -129.607 -48.6635 -89.816 52.3035 -46.8399 78.0163 -241.6 PRESSAVG: 4764600 27.9967 -3.95648 -20.198 -3.95656 -26.2493 15.5022 -20.198 15.5022 9.25853 GPRESSAVG: 4764600 27.8816 -2.76645 -22.3072 -2.83363 -25.3548 16.2231 -18.3857 12.2529 8.93568 TIMING: 4764600 CPU: 15066.9, 0.00316833/step Wall: 15066.9, 0.00316833/step, 0.207174 hours remaining, 237.261719 MB of memory in use. ENERGY: 4764600 4051.5358 20726.2546 14521.9882 238.2439 -203811.7109 2464.8414 0.0000 0.0000 51589.4391 -110219.4079 296.4852 -161808.8470 -109868.0232 297.6450 -160.2528 -122.3505 758933.5594 3.6686 3.8208 PRESSURE: 4764800 -190.492 -71.8226 -24.5192 -71.8227 -457.15 -151.962 -24.52 -151.961 128.473 GPRESSURE: 4764800 -188.313 0.206773 -127.251 -37.8962 -339.92 -137.468 -80.588 -123.022 96.7138 PRESSAVG: 4764800 -83.5703 59.1128 -27.0648 59.1128 47.4918 -19.0763 -27.0648 -19.0764 8.16851 GPRESSAVG: 4764800 -81.9879 62.9057 -26.7381 55.6742 47.169 -19.8763 -27.5769 -17.6527 7.21448 TIMING: 4764800 CPU: 15067.5, 0.00316012/step Wall: 15067.5, 0.00316012/step, 0.206461 hours remaining, 237.261719 MB of memory in use. ENERGY: 4764800 4006.3720 20572.7102 14437.9462 235.8653 -204138.9008 2733.5690 0.0000 0.0000 51834.7337 -110317.7042 297.8949 -162152.4380 -109954.6858 297.8916 -173.0560 -143.8396 760155.7886 -9.3033 -9.2015 PRESSURE: 4765000 385.972 78.2169 -44.6372 78.2167 200.451 18.6071 -44.6369 18.6068 661.921 GPRESSURE: 4765000 434.109 82.2439 -4.27817 97.3813 189.551 121.073 -153.979 -78.8915 693.427 PRESSAVG: 4765000 -9.84028 21.1977 -10.9645 21.1977 12.2944 -26.254 -10.9646 -26.2541 5.88779 GPRESSAVG: 4765000 -10.7225 17.8646 -10.5523 22.4044 11.5928 -26.4651 -11.1789 -25.6477 6.94914 TIMING: 4765000 CPU: 15068.1, 0.00317255/step Wall: 15068.1, 0.00317255/step, 0.207097 hours remaining, 237.261719 MB of memory in use. ENERGY: 4765000 3998.2902 20565.3156 14419.8270 267.6108 -204211.7747 2848.3215 0.0000 0.0000 51705.6085 -110406.8011 297.1528 -162112.4096 -110060.0513 297.8890 416.1146 439.0288 759085.9355 2.7806 2.6065 PRESSURE: 4765200 -310.038 221.768 149.939 221.768 213.713 -52.6319 149.94 -52.6323 -311.072 GPRESSURE: 4765200 -325.993 273.524 109.85 133.998 268.049 42.4436 89.8767 -7.1299 -246.07 PRESSAVG: 4765200 7.50395 -22.6151 -12.8823 -22.6151 4.03041 -12.5183 -12.8823 -12.5183 6.33211 GPRESSAVG: 4765200 7.50963 -22.4898 -12.1345 -23.5067 4.49354 -10.9107 -13.107 -12.3619 6.11938 TIMING: 4765200 CPU: 15068.8, 0.00318406/step Wall: 15068.8, 0.00318406/step, 0.207672 hours remaining, 237.261719 MB of memory in use. ENERGY: 4765200 3979.0802 20403.5209 14485.6533 247.5719 -204052.2075 2597.1846 0.0000 0.0000 51742.7087 -110596.4879 297.3661 -162339.1966 -110231.5795 297.2115 -135.7991 -101.3379 760029.8180 5.9555 6.0409 PRESSURE: 4765400 -315.902 80.709 187.318 80.7085 -229.124 169.067 187.319 169.067 -239.263 GPRESSURE: 4765400 -263.982 78.3569 206.251 46.8638 -199.943 272.827 146.773 186.847 -221.836 PRESSAVG: 4765400 -42.8687 -6.31884 -22.4705 -6.31893 50.0818 18.5899 -22.4705 18.59 -19.4716 GPRESSAVG: 4765400 -42.0877 -6.58482 -21.2806 -5.5475 49.4274 19.0043 -22.8117 17.7519 -19.6761 TIMING: 4765400 CPU: 15069.4, 0.00316898/step Wall: 15069.4, 0.00316898/step, 0.206512 hours remaining, 237.261719 MB of memory in use. ENERGY: 4765400 3952.0431 20531.1269 14468.4211 252.1971 -204136.2399 2719.1569 0.0000 0.0000 51672.7273 -110540.5674 296.9639 -162213.2947 -110183.6329 297.2873 -261.4293 -228.5869 758438.8010 -4.0862 -4.1121 PRESSURE: 4765600 -170.879 30.0878 -252.367 30.0879 -55.4916 30.5981 -252.366 30.5987 215.985 GPRESSURE: 4765600 -49.1629 6.03182 -290.367 84.7255 -81.2652 60.4684 -157.884 -27.6537 206.845 PRESSAVG: 4765600 -1.73325 3.88817 38.9674 3.88818 -6.43245 5.71068 38.9674 5.71068 5.93973 GPRESSAVG: 4765600 -2.83418 4.83321 39.1619 3.7754 -4.35894 3.10161 41.317 7.5082 4.68212 TIMING: 4765600 CPU: 15070, 0.00317511/step Wall: 15070, 0.00317511/step, 0.206735 hours remaining, 237.261719 MB of memory in use. ENERGY: 4765600 4058.5477 20454.9919 14461.9076 270.2898 -203882.7112 2533.2791 0.0000 0.0000 51827.2902 -110276.4048 297.8521 -162103.6951 -109919.0213 297.3879 -3.4617 25.4724 758640.4041 -0.7420 -0.8370 PRESSURE: 4765800 -105.982 -141.38 66.9398 -141.38 113.721 -55.6334 66.9404 -55.6328 -121.188 GPRESSURE: 4765800 -107.706 -142.086 21.192 -57.8383 128.473 -154.061 126.75 -12.8332 -42.273 PRESSAVG: 4765800 -39.6234 30.3803 43.0244 30.3803 40.0294 23.9572 43.0243 23.9573 -10.7831 GPRESSAVG: 4765800 -40.0501 29.0418 41.2589 31.552 38.3686 25.2369 41.6971 22.8227 -9.03486 TIMING: 4765800 CPU: 15070.7, 0.00318855/step Wall: 15070.7, 0.00318855/step, 0.207433 hours remaining, 237.437500 MB of memory in use. ENERGY: 4765800 3897.6843 20456.2510 14494.3012 242.2226 -203729.9246 2544.2580 0.0000 0.0000 51802.6050 -110292.6024 297.7103 -162095.2074 -109935.2226 297.7285 -37.8163 -7.1688 758266.8414 -3.4590 -3.5721 PRESSURE: 4766000 -187.113 94.07 -151.55 94.0704 -50.539 40.2586 -151.551 40.259 -157.664 GPRESSURE: 4766000 -173.681 -34.732 -132.658 152.426 18.5831 -15.9058 -89.8898 7.44006 -158.642 PRESSAVG: 4766000 -57.6514 10.3254 34.9852 10.3254 45.9941 30.0435 34.9852 30.0436 -11.919 GPRESSAVG: 4766000 -56.9902 11.0392 35.5104 7.82886 46.1191 29.7131 34.4516 31.0967 -12.8827 TIMING: 4766000 CPU: 15071.3, 0.00316099/step Wall: 15071.3, 0.00316099/step, 0.205464 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: 4766000 3910.1256 20501.3883 14502.8635 243.8781 -203728.7447 2462.1911 0.0000 0.0000 52110.0631 -109998.2350 299.4772 -162108.2982 -109632.5252 297.9595 -131.7720 -104.5801 760040.1851 -7.8588 -7.9179 PRESSURE: 4766200 219.231 130.657 -12.1618 130.657 -66.9673 296.507 -12.1624 296.507 -38.9622 GPRESSURE: 4766200 199.87 57.8787 -56.7632 84.7432 31.6302 292.994 -71.9869 230.12 -12.0921 PRESSAVG: 4766200 20.6534 -20.3831 23.4256 -20.3832 39.1423 -59.5141 23.4256 -59.5141 19.0028 GPRESSAVG: 4766200 19.6254 -20.8897 21.1449 -17.617 39.6924 -59.5145 23.191 -61.1249 19.7423 TIMING: 4766200 CPU: 15071.9, 0.00317389/step Wall: 15071.9, 0.00317389/step, 0.206126 hours remaining, 237.437500 MB of memory in use. ENERGY: 4766200 3985.6399 20431.8552 14477.8524 225.8048 -203695.9398 2718.9473 0.0000 0.0000 51970.8998 -109884.9404 298.6775 -161855.8402 -109523.1813 298.5660 37.7673 73.1361 759262.4337 26.2662 26.3534 PRESSURE: 4766400 53.3465 171.578 53.1619 171.577 185.732 -28.1454 53.1616 -28.1455 30.3924 GPRESSURE: 4766400 151.583 195.332 -0.416846 184.158 154.026 -135.061 6.60244 6.69735 45.7603 PRESSAVG: 4766400 -33.5249 57.3324 -22.1979 57.3324 33.6001 -22.8726 -22.1979 -22.8726 8.49656 GPRESSAVG: 4766400 -33.6767 57.2417 -23.4906 56.3479 33.6146 -23.842 -20.4215 -22.8138 8.90249 TIMING: 4766400 CPU: 15072.6, 0.00317337/step Wall: 15072.6, 0.00317337/step, 0.205917 hours remaining, 237.437500 MB of memory in use. ENERGY: 4766400 3925.8207 20668.6013 14467.5413 248.9746 -203700.6881 2795.5946 0.0000 0.0000 51692.8246 -109901.3310 297.0794 -161594.1556 -109534.8605 297.9924 89.8235 117.1233 760955.1161 2.8573 2.9468 PRESSURE: 4766600 -121.352 262.807 -72.2169 262.808 -277.809 -85.0842 -72.2166 -85.083 434.466 GPRESSURE: 4766600 -88.3469 125.38 -31.3778 222.091 -192.297 -66.0885 -91.7551 3.41286 423.952 PRESSAVG: 4766600 3.27564 54.3754 15.1566 54.3754 12.8581 -35.6917 15.1566 -35.6917 -14.8104 GPRESSAVG: 4766600 4.36527 54.0851 18.3853 54.965 12.4693 -33.915 13.2729 -33.5445 -15.1741 TIMING: 4766600 CPU: 15073.2, 0.00316426/step Wall: 15073.2, 0.00316426/step, 0.205149 hours remaining, 237.437500 MB of memory in use. ENERGY: 4766600 4068.7674 20369.1250 14451.7494 269.0216 -203724.4229 2855.8185 0.0000 0.0000 52138.4771 -109571.4638 299.6405 -161709.9409 -109210.1889 298.6371 11.7685 47.7694 762304.1562 0.4411 0.5535 PRESSURE: 4766800 -45.3963 -36.06 181.839 -36.06 -111.025 18.5814 181.839 18.5812 -0.847137 GPRESSURE: 4766800 -88.3261 6.8624 242.515 56.4417 -19.3099 5.56985 264.231 69.9097 38.4733 PRESSAVG: 4766800 11.971 27.7598 20.9561 27.7597 -32.121 -4.097 20.956 -4.09698 -7.64095 GPRESSAVG: 4766800 10.737 27.2656 20.3472 27.1727 -31.0134 -3.03468 21.939 -7.38653 -6.97273 TIMING: 4766800 CPU: 15073.8, 0.00319098/step Wall: 15073.8, 0.00319098/step, 0.206704 hours remaining, 237.437500 MB of memory in use. ENERGY: 4766800 4033.1051 20528.6074 14460.5962 238.6576 -203134.8281 2449.0034 0.0000 0.0000 51837.6497 -109587.2087 297.9117 -161424.8584 -109230.8245 298.2791 -52.4228 -23.0542 759908.9463 -9.2637 -9.0830 PRESSURE: 4767000 -591.238 147.481 -233.838 147.481 369.809 -339.269 -233.838 -339.271 122.726 GPRESSURE: 4767000 -471.673 228.3 -143.897 189.609 269.711 -266.41 -220.436 -265.859 188.17 PRESSAVG: 4767000 -28.5802 51.8212 72.6331 51.8212 29.6719 37.6064 72.6331 37.6064 30.4497 GPRESSAVG: 4767000 -26.9217 54.6211 73.1218 51.4281 27.7024 36.0575 72.0281 40.0344 30.2057 TIMING: 4767000 CPU: 15074.5, 0.00317617/step Wall: 15074.5, 0.00317617/step, 0.205569 hours remaining, 237.496094 MB of memory in use. ENERGY: 4767000 4037.2627 20419.5826 14462.4339 228.7555 -203258.1745 2549.5946 0.0000 0.0000 51932.3095 -109628.2355 298.4557 -161560.5451 -109275.3712 298.5053 -32.9010 -4.5970 761214.5742 10.5138 10.3288 PRESSURE: 4767200 -287.605 -92.6182 82.0808 -92.6186 -429.524 -47.2497 82.0812 -47.2512 210.194 GPRESSURE: 4767200 -276.357 -161.267 -11.9073 -38.9483 -351.163 23.6146 65.0699 -131.744 225.337 PRESSAVG: 4767200 -29.7888 1.14044 64.5246 1.14037 5.13035 -13.6049 64.5245 -13.6049 22.4688 GPRESSAVG: 4767200 -30.308 1.84531 64.7103 1.01596 5.56449 -14.8405 65.756 -13.2718 22.1987 TIMING: 4767200 CPU: 15075.1, 0.00317451/step Wall: 15075.1, 0.00317451/step, 0.205285 hours remaining, 237.496094 MB of memory in use. ENERGY: 4767200 4010.2056 20375.6962 14454.2604 241.2207 -203336.4820 2595.1081 0.0000 0.0000 51851.9382 -109808.0527 297.9938 -161659.9909 -109438.7421 297.7543 -168.9787 -134.0609 762604.7638 -0.7299 -0.8483 PRESSURE: 4767400 408.857 -86.3916 54.2825 -86.3912 -173.775 -135.248 54.2826 -135.248 -181.74 GPRESSURE: 4767400 393.498 -130.706 156.371 -0.219661 -65.1826 -148.05 74.9949 -210.188 -198.831 PRESSAVG: 4767400 31.6631 18.1676 -23.758 18.1677 -57.1126 -32.914 -23.7579 -32.9139 3.44939 GPRESSAVG: 4767400 31.2056 14.4324 -24.2729 19.3783 -55.8496 -31.1169 -24.0891 -34.6299 2.79928 TIMING: 4767400 CPU: 15075.8, 0.00316661/step Wall: 15075.8, 0.00316661/step, 0.204598 hours remaining, 237.496094 MB of memory in use. ENERGY: 4767400 3968.2937 20549.8303 14525.9571 243.8046 -203349.9635 2515.8839 0.0000 0.0000 52070.9491 -109475.2448 299.2525 -161546.1939 -109102.6757 298.8367 17.7809 43.1616 761283.7300 -7.3334 -7.2816 PRESSURE: 4767600 265.118 268.034 44.7387 268.034 422.282 -0.736067 44.739 -0.736531 58.0264 GPRESSURE: 4767600 142.467 218.591 115.379 129.564 528.475 -89.5742 135.412 72.1997 148.022 PRESSAVG: 4767600 -34.8673 24.6544 -10.4795 24.6544 38.6664 -0.547506 -10.4794 -0.547429 -29.5094 GPRESSAVG: 4767600 -35.8601 23.5855 -10.9991 25.9905 38.1979 -2.21055 -9.97661 0.284517 -28.2023 TIMING: 4767600 CPU: 15076.4, 0.00317482/step Wall: 15076.4, 0.00317482/step, 0.204952 hours remaining, 237.496094 MB of memory in use. ENERGY: 4767600 3899.3898 20278.5150 14461.4140 235.1163 -203515.3509 3078.2509 0.0000 0.0000 51943.0735 -109619.5915 298.5176 -161562.6650 -109241.2269 298.6093 248.4754 272.9882 761228.0735 -8.5701 -8.6215 PRESSURE: 4767800 8.77833 -50.822 -174.263 -50.8218 -96.7926 -50.6536 -174.264 -50.6528 295.895 GPRESSURE: 4767800 29.6761 -158.626 -99.5428 -80.982 43.8992 -106.635 -256.254 -46.4941 228.551 PRESSAVG: 4767800 51.2065 82.5517 -36.8632 82.5517 -37.7559 27.1891 -36.8633 27.1891 12.001 GPRESSAVG: 4767800 51.2361 85.0783 -36.5616 77.6251 -37.2866 27.5223 -37.8885 28.1239 12.2692 TIMING: 4767800 CPU: 15077, 0.00317534/step Wall: 15077, 0.00317534/step, 0.20481 hours remaining, 237.496094 MB of memory in use. ENERGY: 4767800 4031.8075 20636.9259 14533.5780 243.0798 -203326.1893 2802.2506 0.0000 0.0000 51585.3259 -109493.2216 296.4616 -161078.5476 -109142.8151 298.6029 69.2936 100.7089 760991.1921 8.4839 8.7396 PRESSURE: 4768000 141.119 -3.98827 41.2025 -3.98871 235.384 -112.104 41.2023 -112.104 355.695 GPRESSURE: 4768000 132.856 -93.4483 -60.1804 31.2857 215.385 -81.5805 35.0245 -75.3097 445.525 PRESSAVG: 4768000 24.8768 11.828 -15.9528 11.828 -18.0009 -39.3661 -15.9529 -39.3662 -4.18651 GPRESSAVG: 4768000 25.6263 10.447 -14.4006 16.7211 -18.0156 -38.9773 -15.684 -41.3704 -5.29907 TIMING: 4768000 CPU: 15077.7, 0.00317074/step Wall: 15077.7, 0.00317074/step, 0.204337 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: 4768000 3909.9535 20506.1843 14508.2135 231.6245 -203132.5758 2563.2215 0.0000 0.0000 51754.0697 -109659.3087 297.4313 -161413.3785 -109300.0038 298.4570 244.0659 264.5889 760398.9744 0.8965 0.7705 PRESSURE: 4768200 -323.297 -51.2664 14.0151 -51.2666 -211.259 -2.76366 14.0144 -2.76335 -690.61 GPRESSURE: 4768200 -198.264 -77.7509 6.31715 -52.066 -239.586 53.7725 -11.8859 -92.357 -691.802 PRESSAVG: 4768200 -25.8124 17.8971 8.43607 17.8971 -28.2642 -85.047 8.43612 -85.047 -12.3365 GPRESSAVG: 4768200 -26.1114 20.4845 7.40424 14.8616 -29.0646 -86.1363 10.7853 -82.4658 -11.3005 TIMING: 4768200 CPU: 15078.3, 0.00316962/step Wall: 15078.3, 0.00316962/step, 0.204089 hours remaining, 237.496094 MB of memory in use. ENERGY: 4768200 3989.2019 20331.1889 14473.1395 240.5727 -202995.2708 2250.4814 0.0000 0.0000 52218.2488 -109492.4375 300.0990 -161710.6864 -109132.1145 299.0299 -408.3887 -376.5506 762233.5785 -22.1377 -22.1588 LDB: ============= START OF LOAD BALANCING ============== 15090.8 LDB: ============== END OF LOAD BALANCING =============== 15090.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15090.8 LDB: ============= START OF LOAD BALANCING ============== 15091.1 LDB: Largest compute 7077 load 0.036354 is 18.6% of average load 0.195615 LDB: Average compute 0.004395 is 2.2% of average load 0.195615 LDB: TIME 15091.1 LOAD: AVG 0.195615 MAX 0.216398 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.664 MB LDB: TIME 15091.1 LOAD: AVG 0.195615 MAX 0.216398 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.703 MB LDB: TIME 15091.1 LOAD: AVG 0.195615 MAX 0.216398 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.703 MB LDB: ============== END OF LOAD BALANCING =============== 15091.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15091.2 PRESSURE: 4768400 71.4821 103.246 113 103.247 278.703 147.835 113 147.836 211.336 GPRESSURE: 4768400 174.33 144.598 185.064 114.289 298.781 229.23 -53.4747 51.0321 184.795 PRESSAVG: 4768400 43.8075 17.6156 12.9707 17.6156 -12.5479 0.535233 12.9707 0.535204 -6.1688 GPRESSAVG: 4768400 44.5148 16.6082 13.9913 19.04 -12.357 1.61334 11.3793 -1.31383 -6.74066 TIMING: 4768400 CPU: 15078.9, 0.00324276/step Wall: 15078.9, 0.00324276/step, 0.208617 hours remaining, 235.433594 MB of memory in use. ENERGY: 4768400 3987.7914 20545.3700 14441.2359 232.6616 -203691.6392 2806.4028 0.0000 0.0000 52320.5410 -109357.6366 300.6869 -161678.1776 -109007.4368 299.1309 187.1737 219.3019 761147.8646 8.3636 8.4724 PRESSURE: 4768600 -162.55 -16.3933 -139.156 -16.3933 -272.642 160.059 -139.154 160.059 189.205 GPRESSURE: 4768600 -180.777 -71.1784 -155.331 -109.036 -228.132 173.642 -36.3814 157.082 257.774 PRESSAVG: 4768600 -1.12759 -13.786 -38.9093 -13.786 -26.7177 0.458382 -38.9093 0.458464 2.04087 GPRESSAVG: 4768600 -1.34867 -15.5882 -39.2536 -13.2936 -26.5929 0.326832 -41.7839 -1.29116 2.47564 TIMING: 4768600 CPU: 15079.6, 0.00317853/step Wall: 15079.6, 0.00317853/step, 0.204309 hours remaining, 235.675781 MB of memory in use. ENERGY: 4768600 4004.8092 20546.5749 14474.7906 237.8674 -203311.3695 2544.6767 0.0000 0.0000 51859.5904 -109643.0604 298.0378 -161502.6508 -109297.4646 299.3507 -81.9954 -50.3782 761554.1885 -8.6015 -8.4886 PRESSURE: 4768800 -25.7067 13.2085 -130.754 13.2079 20.637 -145.437 -130.754 -145.437 -363.817 GPRESSURE: 4768800 -17.5659 63.4249 -221.118 171.637 50.7509 -226.983 9.9778 -20.9889 -321.173 PRESSAVG: 4768800 -8.44781 14.2583 -59.2713 14.2584 -27.0538 -17.9276 -59.2713 -17.9277 15.0624 GPRESSAVG: 4768800 -8.19107 15.9268 -59.5062 13.1707 -27.0901 -18.7643 -55.4944 -15.2794 14.6123 TIMING: 4768800 CPU: 15080.2, 0.00318252/step Wall: 15080.2, 0.00318252/step, 0.204389 hours remaining, 235.675781 MB of memory in use. ENERGY: 4768800 3955.2199 20576.3348 14472.5723 240.7643 -202956.5015 2269.9338 0.0000 0.0000 51697.8973 -109743.7791 297.1085 -161441.6765 -109386.9683 298.5745 -122.9621 -95.9959 761226.6514 -6.8131 -6.8896 PRESSURE: 4769000 -148.467 21.0436 -105.52 21.0432 174.494 132.845 -105.52 132.845 -348.25 GPRESSURE: 4769000 -61.0332 47.3296 -100.776 -27.5561 105.277 25.5152 -166.354 -0.0642381 -282.529 PRESSAVG: 4769000 3.62399 37.6089 -9.96578 37.6089 -24.5005 34.5148 -9.96582 34.5147 -1.21255 GPRESSAVG: 4769000 4.32026 37.8764 -10.0459 37.7867 -24.459 35.0736 -11.283 33.7833 -1.88787 TIMING: 4769000 CPU: 15080.8, 0.00317142/step Wall: 15080.8, 0.00317142/step, 0.203499 hours remaining, 235.675781 MB of memory in use. ENERGY: 4769000 4012.8003 20558.5497 14470.5325 256.2003 -202863.7169 2425.0786 0.0000 0.0000 51751.0075 -109389.5478 297.4138 -161140.5553 -109035.2009 298.5029 -107.4077 -79.4287 761659.1541 -7.3630 -7.3422 PRESSURE: 4769200 50.5298 -122.582 -29.9028 -122.583 63.2695 -395.426 -29.9019 -395.426 -413.339 GPRESSURE: 4769200 72.2695 -125.121 -37.3098 -176.028 123.133 -505.752 34.9885 -349.143 -401.015 PRESSAVG: 4769200 13.6385 -1.27441 -13.7139 -1.27441 3.7575 -27.7617 -13.7139 -27.7617 -17.5983 GPRESSAVG: 4769200 13.6969 -1.72009 -13.6671 -2.43673 2.32042 -27.1348 -14.4068 -27.492 -16.4654 TIMING: 4769200 CPU: 15081.5, 0.00318015/step Wall: 15081.5, 0.00318015/step, 0.203883 hours remaining, 235.675781 MB of memory in use. ENERGY: 4769200 4045.3753 20470.3112 14477.5714 243.5569 -203108.2686 2446.7767 0.0000 0.0000 51915.6483 -109509.0289 298.3599 -161424.6772 -109148.7772 298.3188 -99.8466 -68.5375 761580.5131 -0.0674 -0.1494 PRESSURE: 4769400 -57.1035 -72.4274 153.887 -72.4274 -233.851 20.4122 153.887 20.4115 37.9899 GPRESSURE: 4769400 -53.6553 4.51033 206.9 -123.306 -184.154 -51.6284 183.439 90.4885 52.8669 PRESSAVG: 4769400 43.4868 11.3324 7.97083 11.3325 -58.2478 3.06068 7.97079 3.0606 -4.27246 GPRESSAVG: 4769400 43.8868 11.0711 8.22415 11.7481 -58.1096 2.49293 9.25069 4.34806 -4.55042 TIMING: 4769400 CPU: 15082.1, 0.00320849/step Wall: 15082.1, 0.00320849/step, 0.205522 hours remaining, 235.742188 MB of memory in use. ENERGY: 4769400 4077.1513 20483.8450 14414.3282 253.2859 -203147.7582 2561.4532 0.0000 0.0000 51985.5530 -109372.1416 298.7617 -161357.6946 -109010.1580 298.9995 -84.3214 -61.6475 762587.3287 -6.3445 -6.2577 PRESSURE: 4769600 11.9754 -177.697 -51.4801 -177.698 -285.249 127.891 -51.4795 127.89 295.459 GPRESSURE: 4769600 93.6683 -124.09 -80.9669 -213.346 -313.544 150.092 -16.0231 104.418 307.16 PRESSAVG: 4769600 27.7229 -6.73457 -18.4593 -6.73462 -66.3976 -15.4856 -18.4593 -15.4856 12.3405 GPRESSAVG: 4769600 27.3797 -6.52628 -17.7622 -5.1011 -66.2684 -15.0042 -20.3114 -17.5041 12.2337 TIMING: 4769600 CPU: 15082.8, 0.00318959/step Wall: 15082.8, 0.00318959/step, 0.204134 hours remaining, 235.945312 MB of memory in use. ENERGY: 4769600 3976.5786 20508.8691 14504.9754 238.3655 -203195.0804 2553.8404 0.0000 0.0000 52153.0010 -109259.4504 299.7240 -161412.4514 -108894.4315 299.2856 7.3953 29.0948 761604.2474 -8.7781 -8.8850 PRESSURE: 4769800 32.0727 91.9303 -239.418 91.9293 88.1444 142.587 -239.418 142.587 231.197 GPRESSURE: 4769800 91.4428 106.462 -204.35 122.561 138.326 126.96 -314.197 80.778 209.07 PRESSAVG: 4769800 9.60759 11.0139 -15.2736 11.014 -48.1225 -1.48572 -15.2735 -1.48586 -7.59765 GPRESSAVG: 4769800 10.652 10.5086 -15.834 9.63422 -48.8117 -1.32485 -11.7088 -0.585507 -7.67445 TIMING: 4769800 CPU: 15083.4, 0.00317873/step Wall: 15083.4, 0.00317873/step, 0.203262 hours remaining, 235.945312 MB of memory in use. ENERGY: 4769800 3981.5949 20538.1804 14438.1397 246.1607 -203397.3836 2794.3202 0.0000 0.0000 51971.3780 -109427.6098 298.6802 -161398.9878 -109072.1864 299.1856 117.1381 146.2796 762210.6922 -15.3708 -15.2781 PRESSURE: 4770000 -218.719 -93.0575 -37.6623 -93.0577 84.9945 93.0959 -37.6624 93.0965 172.77 GPRESSURE: 4770000 -102.835 -87.2665 -62.8706 -112.653 102.172 -0.598046 -88.778 -42.9014 112.084 PRESSAVG: 4770000 -0.177458 -28.5128 -5.61035 -28.5128 11.8862 31.8353 -5.61033 31.8352 -24.7022 GPRESSAVG: 4770000 -1.72196 -27.5693 -5.89569 -28.7557 13.9143 31.392 -9.56824 33.387 -25.1841 TIMING: 4770000 CPU: 15084, 0.0031663/step Wall: 15084, 0.0031663/step, 0.202291 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: 4770000 3899.2154 20446.2060 14510.7881 242.7737 -203332.3026 2562.8728 0.0000 0.0000 52322.2392 -109348.2073 300.6966 -161670.4465 -108985.0848 299.4539 13.0152 37.1404 761994.1250 -4.3311 -4.3306 PRESSURE: 4770200 -30.6656 38.6457 30.0078 38.6463 -194.375 72.8649 30.0074 72.8654 47.1701 GPRESSURE: 4770200 53.4839 23.02 -69.6129 18.1221 -188.045 136.537 68.9547 83.6649 24.7008 PRESSAVG: 4770200 57.5083 17.6878 -25.2944 17.6878 -3.97322 22.4926 -25.2944 22.4926 -5.02649 GPRESSAVG: 4770200 58.3412 16.3524 -23.5735 18.9969 -5.26545 22.2656 -25.482 19.4589 -4.37721 TIMING: 4770200 CPU: 15084.7, 0.00316236/step Wall: 15084.7, 0.00316236/step, 0.201864 hours remaining, 235.945312 MB of memory in use. ENERGY: 4770200 3967.7023 20622.2191 14502.5185 226.8612 -203146.2770 2585.1536 0.0000 0.0000 51924.1329 -109317.6894 298.4087 -161241.8223 -108967.8521 299.7163 -59.2900 -36.6201 762380.1390 16.1695 16.2328 PRESSURE: 4770400 -52.199 -130.846 -304.366 -130.846 -120.046 -26.657 -304.365 -26.6561 -179.555 GPRESSURE: 4770400 27.4907 -83.7054 -303.844 -86.3107 -140.816 25.6699 -378.056 -78.3865 -174.227 PRESSAVG: 4770400 -4.60615 -18.2522 -24.4947 -18.2521 -64.3044 -3.34906 -24.4947 -3.34911 -19.4453 GPRESSAVG: 4770400 -4.40643 -17.3415 -26.6594 -19.2954 -63.7389 -3.77711 -21.7695 -0.465863 -20.303 TIMING: 4770400 CPU: 15085.3, 0.00315616/step Wall: 15085.3, 0.00315616/step, 0.201293 hours remaining, 235.945312 MB of memory in use. ENERGY: 4770400 4030.0085 20656.1454 14503.5569 250.4214 -202983.4901 2417.9348 0.0000 0.0000 51954.7448 -109170.6784 298.5846 -161125.4232 -108808.0120 299.5609 -117.2668 -95.8510 762049.8575 -29.4519 -29.4828 PRESSURE: 4770600 54.1316 167.842 38.0808 167.841 267.55 8.09327 38.0808 8.09218 289.566 GPRESSURE: 4770600 83.079 195.798 58.3965 140.101 287.252 42.2777 -7.45371 -166.621 327.083 PRESSAVG: 4770600 37.2801 21.902 -5.43886 21.902 -9.93405 14.1819 -5.43886 14.182 -18.4033 GPRESSAVG: 4770600 37.0008 21.8641 -4.98581 22.8061 -9.81568 14.3981 -6.79441 12.8079 -17.9411 TIMING: 4770600 CPU: 15085.9, 0.00318271/step Wall: 15085.9, 0.00318271/step, 0.202809 hours remaining, 235.945312 MB of memory in use. ENERGY: 4770600 3893.8900 20610.0329 14485.2709 237.4634 -203379.2240 2620.5454 0.0000 0.0000 52196.3032 -109335.7182 299.9729 -161532.0214 -108979.9035 300.0421 203.7492 232.4712 758835.5709 2.9809 3.0813 PRESSURE: 4770800 -118.393 -5.18165 246.254 -5.18251 5.8875 171.331 246.253 171.331 314.399 GPRESSURE: 4770800 -42.1942 -9.96396 222.002 -21.8294 13.0091 83.601 187.457 121.992 326.623 PRESSAVG: 4770800 15.24 20.3616 49.4372 20.3616 -19.837 28.8207 49.4372 28.8207 21.2814 GPRESSAVG: 4770800 15.4018 18.0492 48.881 19.517 -20.3641 28.9688 51.0521 29.9649 22.1757 TIMING: 4770800 CPU: 15086.6, 0.00316924/step Wall: 15086.6, 0.00316924/step, 0.201775 hours remaining, 235.945312 MB of memory in use. ENERGY: 4770800 3998.2571 20390.0483 14506.3574 244.7193 -203467.7295 2821.8137 0.0000 0.0000 52136.6477 -109369.8859 299.6300 -161506.5336 -109010.6208 299.2553 67.2978 99.1458 761057.4015 5.5615 5.7378 PRESSURE: 4771000 182.505 13.0232 67.1605 13.0225 39.8384 430.553 67.1601 430.552 -239.106 GPRESSURE: 4771000 202.519 62.6323 36.132 33.6673 30.935 420.016 91.1615 273.377 -166.167 PRESSAVG: 4771000 62.9558 -36.7198 38.672 -36.7198 -36.4145 52.4514 38.672 52.4515 10.496 GPRESSAVG: 4771000 64.1042 -35.4793 39.7516 -34.8947 -36.1464 52.7633 35.8884 50.7766 9.57716 TIMING: 4771000 CPU: 15087.2, 0.0031672/step Wall: 15087.2, 0.0031672/step, 0.201469 hours remaining, 235.945312 MB of memory in use. ENERGY: 4771000 3955.3827 20534.5101 14499.9214 225.5946 -202864.3327 2380.2579 0.0000 0.0000 51822.1906 -109446.4754 297.8228 -161268.6660 -109108.8578 298.8017 -5.5876 22.4290 760031.3506 12.3458 12.5117 PRESSURE: 4771200 -58.0793 66.4725 73.1489 66.4724 -172.393 -195.171 73.1492 -195.17 157.644 GPRESSURE: 4771200 -0.591429 134.904 114.784 97.5078 -123.553 -173.118 -30.3537 -94.9527 132.793 PRESSAVG: 4771200 1.83588 29.4241 23.0564 29.4242 1.03341 -65.1476 23.0563 -65.1476 -13.7205 GPRESSAVG: 4771200 1.08135 30.5006 22.2903 26.8591 0.975556 -66.0287 24.9839 -63.3874 -13.0073 TIMING: 4771200 CPU: 15087.8, 0.00318213/step Wall: 15087.8, 0.00318213/step, 0.202242 hours remaining, 235.945312 MB of memory in use. ENERGY: 4771200 3930.0789 20510.9401 14584.5348 245.3147 -203367.0048 2455.1961 0.0000 0.0000 52276.7654 -109364.1747 300.4353 -161640.9401 -109001.8896 299.2779 -24.2760 2.8829 761194.0183 -3.6171 -3.6501 PRESSURE: 4771400 -123.913 29.538 171.294 29.5374 -340.215 134.735 171.294 134.735 227.523 GPRESSURE: 4771400 -88.545 1.1137 135.124 -52.2268 -215.596 126.883 148.584 21.0756 173.874 PRESSAVG: 4771400 49.3774 -11.5585 -3.74661 -11.5586 -21.5437 9.65647 -3.74652 9.65646 -4.73353 GPRESSAVG: 4771400 49.4095 -11.7009 -4.51008 -12.3084 -21.9728 9.31128 -3.81333 11.2826 -3.87869 TIMING: 4771400 CPU: 15088.5, 0.00316229/step Wall: 15088.5, 0.00316229/step, 0.200805 hours remaining, 235.945312 MB of memory in use. ENERGY: 4771400 3991.4954 20320.9709 14469.4310 246.4971 -202878.9010 2326.9453 0.0000 0.0000 52106.3558 -109417.2054 299.4559 -161523.5612 -109048.0319 298.8516 -78.8681 -43.4223 761251.2256 7.7001 7.8527 PRESSURE: 4771600 -169.282 -140.202 207.402 -140.202 -126.125 -69.0728 207.401 -69.0719 -138.238 GPRESSURE: 4771600 -142.25 -6.26544 150.219 -104.631 -73.9942 -122.862 274.783 -128.581 -133.155 PRESSAVG: 4771600 -3.5002 -10.8631 44.0931 -10.8631 1.58873 -40.3124 44.0932 -40.3123 13.7208 GPRESSAVG: 4771600 -2.15357 -9.20316 44.2516 -9.74929 1.07889 -39.9074 41.6957 -43.2365 13.0233 TIMING: 4771600 CPU: 15089.1, 0.0031612/step Wall: 15089.1, 0.0031612/step, 0.200561 hours remaining, 235.945312 MB of memory in use. ENERGY: 4771600 3911.0580 20436.7426 14494.1910 254.7377 -203064.7222 2492.2641 0.0000 0.0000 52024.8540 -109450.8748 298.9876 -161475.7288 -109082.9609 299.6202 -144.5484 -116.4665 760178.4212 3.9364 3.9829 PRESSURE: 4771800 124.749 -47.4052 161.744 -47.4046 -164.782 115.713 161.745 115.713 -160.594 GPRESSURE: 4771800 129.219 -104.219 171.325 -82.2744 -96.4317 175.348 130.611 62.7897 -161.965 PRESSAVG: 4771800 78.2483 42.6949 7.57873 42.695 -86.9531 50.4328 7.57876 50.4328 2.14972 GPRESSAVG: 4771800 76.3125 39.3483 9.02291 43.402 -85.8201 51.1668 10.7151 49.9767 2.88039 TIMING: 4771800 CPU: 15089.7, 0.00315056/step Wall: 15089.7, 0.00315056/step, 0.19971 hours remaining, 235.945312 MB of memory in use. ENERGY: 4771800 4021.5951 20488.9559 14536.9012 237.5890 -202921.9620 2343.6589 0.0000 0.0000 51921.0227 -109372.2394 298.3908 -161293.2620 -109013.9899 299.2817 -66.8757 -43.0594 761475.6949 -2.1850 -2.2091 PRESSURE: 4772000 -180.252 173.033 -106.728 173.033 110.622 -3.96958 -106.728 -3.96904 -170.614 GPRESSURE: 4772000 -107.217 207.974 -105.559 152.318 67.5081 34.7873 -82.3829 7.53019 -98.1299 PRESSAVG: 4772000 51.5671 -26.43 -33.1188 -26.43 -32.2707 17.2181 -33.1187 17.2181 -19.1803 GPRESSAVG: 4772000 54.2557 -25.0349 -31.9875 -25.3438 -33.5842 16.987 -33.7925 17.4226 -20.1216 TIMING: 4772000 CPU: 15090.4, 0.00315964/step Wall: 15090.4, 0.00315964/step, 0.200111 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: 4772000 4029.4134 20543.2909 14529.7106 242.7001 -203158.9942 2416.8727 0.0000 0.0000 51918.3373 -109478.6693 298.3754 -161397.0065 -109120.6256 299.1069 -80.0814 -45.9462 761419.8221 0.0387 0.1833 PRESSURE: 4772200 187.343 36.0742 62.1924 36.0743 364.442 153.286 62.1925 153.286 -176.261 GPRESSURE: 4772200 296.959 -7.98346 88.9581 60.9214 255.345 217.357 33.9123 209.015 -93.8427 PRESSAVG: 4772200 34.4221 56.2498 -26.5931 56.2499 -8.5867 27.5237 -26.5932 27.5236 -2.40083 GPRESSAVG: 4772200 33.7666 54.7573 -28.831 54.4835 -8.67569 28.1656 -27.3615 27.5762 -1.88408 TIMING: 4772200 CPU: 15091, 0.00315539/step Wall: 15091, 0.00315539/step, 0.199666 hours remaining, 235.945312 MB of memory in use. ENERGY: 4772200 3957.3476 20521.2047 14496.4493 260.6709 -203325.1411 2496.7393 0.0000 0.0000 51943.4765 -109649.2528 298.5199 -161592.7292 -109285.0193 298.7998 125.1749 152.8206 759632.4180 7.8115 7.7356 LDB: ============= START OF LOAD BALANCING ============== 15103.5 LDB: ============== END OF LOAD BALANCING =============== 15103.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15103.5 LDB: ============= START OF LOAD BALANCING ============== 15103.8 LDB: Largest compute 7026 load 0.035290 is 18.0% of average load 0.195568 LDB: Average compute 0.004414 is 2.3% of average load 0.195568 LDB: TIME 15103.8 LOAD: AVG 0.195568 MAX 0.214333 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.234 MB LDB: TIME 15103.8 LOAD: AVG 0.195568 MAX 0.214333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.438 MB LDB: TIME 15103.8 LOAD: AVG 0.195568 MAX 0.214333 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.438 MB LDB: ============== END OF LOAD BALANCING =============== 15103.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15103.9 PRESSURE: 4772400 -65.0683 68.925 -281.257 68.9252 -264.073 -181.903 -281.257 -181.902 -220.92 GPRESSURE: 4772400 -122.073 9.20042 -299.404 72.9345 -79.8056 -202.04 -389.277 -119.174 -253.924 PRESSAVG: 4772400 44.4175 32.6241 -21.7426 32.624 1.65591 44.218 -21.7426 44.218 -16.0939 GPRESSAVG: 4772400 42.4212 32.737 -21.6428 33.0129 3.11928 44.6228 -22.6938 45.0537 -15.2562 TIMING: 4772400 CPU: 15091.6, 0.00322576/step Wall: 15091.6, 0.00322576/step, 0.20394 hours remaining, 236.933594 MB of memory in use. ENERGY: 4772400 4089.1111 20457.4901 14530.4613 252.7183 -203609.7767 2647.3106 0.0000 0.0000 52101.5774 -109531.1079 299.4285 -161632.6853 -109171.0572 298.6046 -183.3538 -151.9344 759750.4300 9.9932 10.0948 PRESSURE: 4772600 -125.599 -141.972 150.418 -141.972 597.831 89.3663 150.418 89.3666 -144.317 GPRESSURE: 4772600 -22.5627 -113.623 160.36 1.18256 555.174 9.17726 183.226 41.8162 -111.373 PRESSAVG: 4772600 -21.6379 14.7233 -12.9915 14.7233 7.09738 8.94624 -12.9914 8.94631 8.28705 GPRESSAVG: 4772600 -21.5147 16.1492 -13.1815 15.1346 7.1527 7.73013 -10.5122 9.56856 8.16009 TIMING: 4772600 CPU: 15092.3, 0.00317302/step Wall: 15092.3, 0.00317302/step, 0.200429 hours remaining, 237.136719 MB of memory in use. ENERGY: 4772600 4033.6650 20588.4173 14485.3936 259.9626 -203238.3629 2498.5275 0.0000 0.0000 52023.6363 -109348.7606 298.9806 -161372.3969 -108987.5069 299.5743 109.3048 140.4127 762036.8215 -2.0845 -2.0673 PRESSURE: 4772800 -294.132 -107.933 -24.0318 -107.932 3.33699 199.997 -24.0316 199.998 -362.344 GPRESSURE: 4772800 -234.707 -132.376 22.4863 -37.3954 -30.9069 243.218 -71.0717 241.38 -295.614 PRESSAVG: 4772800 -27.1397 31.201 -33.6374 31.2009 16.1769 21.1588 -33.6374 21.1588 11.8996 GPRESSAVG: 4772800 -26.8063 28.793 -33.0919 31.0478 15.5083 20.6962 -34.9604 20.1045 12.326 TIMING: 4772800 CPU: 15092.9, 0.00316585/step Wall: 15092.9, 0.00316585/step, 0.1998 hours remaining, 237.136719 MB of memory in use. ENERGY: 4772800 4084.9999 20585.8030 14476.4080 265.6347 -203250.8099 2337.5922 0.0000 0.0000 52070.9362 -109429.4359 299.2524 -161500.3721 -109054.9685 300.3123 -217.7131 -187.0760 761855.4301 0.3122 0.3427 PRESSURE: 4773000 261.73 -83.2635 -81.5839 -83.2644 548.351 -155.613 -81.5837 -155.613 -305.141 GPRESSURE: 4773000 279.308 -84.9758 -38.554 -152.579 555.6 -218.168 34.5395 13.4656 -264.404 PRESSAVG: 4773000 -1.50421 50.9242 42.416 50.9242 -11.0782 -2.2575 42.416 -2.25746 -18.7811 GPRESSAVG: 4773000 -0.759355 52.8815 42.9844 51.5583 -10.8985 -0.352961 41.3508 -1.88841 -19.4099 TIMING: 4773000 CPU: 15093.5, 0.00318228/step Wall: 15093.5, 0.00318228/step, 0.20066 hours remaining, 237.136719 MB of memory in use. ENERGY: 4773000 4047.2334 20689.9310 14499.9326 242.5469 -203862.1852 2765.3316 0.0000 0.0000 52126.0563 -109491.1534 299.5692 -161617.2097 -109135.4449 299.6664 168.3134 190.1682 760215.8740 -10.4545 -10.3559 PRESSURE: 4773200 -58.0308 -32.4527 33.2842 -32.4522 -340.187 -155.941 33.2847 -155.942 -258.327 GPRESSURE: 4773200 -21.3225 -27.0718 56.2427 17.5527 -294.121 -70.3231 -150.285 -196.764 -255.816 PRESSAVG: 4773200 32.5673 33.8034 -13.9079 33.8034 -9.6343 41.3154 -13.9079 41.3154 8.17291 GPRESSAVG: 4773200 31.5749 30.7659 -15.7687 34.4129 -8.21258 39.6389 -12.2073 41.7723 8.45593 TIMING: 4773200 CPU: 15094.2, 0.0031702/step Wall: 15094.2, 0.0031702/step, 0.199723 hours remaining, 237.136719 MB of memory in use. ENERGY: 4773200 3993.2575 20509.7083 14474.9291 231.1111 -203559.3417 2546.0743 0.0000 0.0000 52350.9173 -109453.3439 300.8614 -161804.2613 -109076.9400 299.6541 -218.8484 -190.4198 762128.4476 10.3686 10.6061 PRESSURE: 4773400 354.736 -155.335 76.8544 -155.336 -65.2911 -284.603 76.8544 -284.604 169.824 GPRESSURE: 4773400 432.654 -183.143 28.4947 -118.238 -33.5122 -341.712 -42.1267 -144.972 128.396 PRESSAVG: 4773400 37.6727 27.1716 32.3719 27.1716 -32.0664 0.436725 32.3719 0.436687 0.389564 GPRESSAVG: 4773400 39.5194 29.9507 33.4019 25.1603 -33.2095 0.137545 29.7181 -0.267144 -0.141092 TIMING: 4773400 CPU: 15094.8, 0.00318029/step Wall: 15094.8, 0.00318029/step, 0.200181 hours remaining, 237.136719 MB of memory in use. ENERGY: 4773400 3991.2240 20544.5779 14480.3842 262.8018 -203386.1862 2737.7787 0.0000 0.0000 51933.4758 -109435.9437 298.4624 -161369.4196 -109067.6385 300.1211 153.0894 175.8462 761439.2960 1.9986 2.0563 PRESSURE: 4773600 -121.659 153.781 -80.2663 153.78 -506.126 149.164 -80.2665 149.164 -136.904 GPRESSURE: 4773600 -117.851 230.819 -18.662 107.466 -431.703 140.763 63.362 66.1959 -124.775 PRESSAVG: 4773600 54.9093 6.70704 -16.909 6.70698 -54.3622 5.12975 -16.9091 5.1297 -12.0963 GPRESSAVG: 4773600 53.4405 8.02875 -16.5786 7.78879 -51.6975 5.57389 -15.7028 4.40137 -12.5309 TIMING: 4773600 CPU: 15095.4, 0.00316147/step Wall: 15095.4, 0.00316147/step, 0.198822 hours remaining, 237.136719 MB of memory in use. ENERGY: 4773600 4051.3547 20478.5646 14479.6685 238.1432 -203273.9505 2487.8299 0.0000 0.0000 52381.3875 -109157.0022 301.0366 -161538.3897 -108798.8819 299.9205 -254.8964 -224.7761 761479.3369 -3.8497 -3.5959 PRESSURE: 4773800 -3.90519 -84.2268 17.4559 -84.2265 -242.278 -407.13 17.4558 -407.131 -452.638 GPRESSURE: 4773800 12.9001 -9.31877 -2.20922 -57.2777 -233.041 -467.44 19.3441 -194.748 -384.711 PRESSAVG: 4773800 -58.8673 -26.4939 -7.89953 -26.4939 11.4812 3.53225 -7.89955 3.53233 -0.469569 GPRESSAVG: 4773800 -58.0475 -27.5342 -8.73498 -24.5692 10.0312 3.70952 -7.03177 2.88248 0.0796208 TIMING: 4773800 CPU: 15096.1, 0.00314844/step Wall: 15096.1, 0.00314844/step, 0.197827 hours remaining, 237.136719 MB of memory in use. ENERGY: 4773800 3993.1180 20493.2822 14522.2280 240.5605 -203066.2042 2392.2509 0.0000 0.0000 52106.2968 -109318.4678 299.4556 -161424.7645 -108954.2258 299.9898 -232.9406 -201.6173 761017.9057 -15.9519 -15.9789 PRESSURE: 4774000 -275.462 -38.8357 -46.4414 -38.8362 132.698 -1.98125 -46.4417 -1.98055 168.198 GPRESSURE: 4774000 -232.489 -118.628 -62.3871 -9.11883 185.598 -109.96 -78.7534 64.8923 170.094 PRESSAVG: 4774000 -16.1029 -27.9379 10.535 -27.9379 -16.6418 2.776 10.535 2.77596 9.59069 GPRESSAVG: 4774000 -15.6339 -28.4694 10.4048 -29.0134 -16.9794 3.73625 10.196 3.27701 9.88957 TIMING: 4774000 CPU: 15096.7, 0.00316217/step Wall: 15096.7, 0.00316217/step, 0.198514 hours remaining, 237.136719 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: 4774000 3975.3580 20577.4244 14472.8407 240.1101 -203613.9075 2580.2369 0.0000 0.0000 52131.7531 -109636.1843 299.6019 -161767.9374 -109281.3635 299.6804 8.4779 41.0675 758989.2119 -7.7180 -7.5745 PRESSURE: 4774200 -11.3898 172.088 57.734 172.088 38.7327 249.229 57.7345 249.229 67.1862 GPRESSURE: 4774200 -16.4039 65.3756 60.3269 127.072 112.387 219.051 84.1534 224.643 56.2139 PRESSAVG: 4774200 -24.4655 29.9268 -36.2626 29.9268 74.3478 -30.502 -36.2626 -30.5021 -11.8504 GPRESSAVG: 4774200 -25.0455 30.7689 -36.4151 28.3092 74.4227 -32.5647 -34.7774 -29.007 -12.2321 TIMING: 4774200 CPU: 15097.3, 0.00318606/step Wall: 15097.3, 0.00318606/step, 0.199837 hours remaining, 237.136719 MB of memory in use. ENERGY: 4774200 3986.3997 20469.1669 14440.1257 247.2983 -203814.3960 2790.9069 0.0000 0.0000 52134.1244 -109746.3741 299.6155 -161880.4986 -109382.9952 299.4306 31.5097 50.7325 759026.8759 12.6773 12.3817 PRESSURE: 4774400 -158.688 -241.627 186.346 -241.627 36.9846 54.2448 186.347 54.2446 10.7272 GPRESSURE: 4774400 -80.1826 -120.748 167.506 -131.158 10.6525 107.397 58.0191 -10.7656 66.0894 PRESSAVG: 4774400 -50.5424 20.6145 -27.5705 20.6145 26.1521 -32.4598 -27.5705 -32.4598 9.13564 GPRESSAVG: 4774400 -51.5282 18.7481 -25.414 22.6428 26.6836 -31.2937 -28.9613 -32.898 9.82892 TIMING: 4774400 CPU: 15098, 0.00317967/step Wall: 15098, 0.00317967/step, 0.19926 hours remaining, 237.136719 MB of memory in use. ENERGY: 4774400 3970.2998 20611.7669 14484.4984 249.7919 -203578.2437 2476.0847 0.0000 0.0000 52018.5883 -109767.2137 298.9515 -161785.8020 -109412.7904 299.3827 -36.9920 -1.1469 759468.3435 -5.0849 -5.0052 PRESSURE: 4774600 -78.3061 7.47459 -171.145 7.47435 -39.791 258.64 -171.145 258.64 282.067 GPRESSURE: 4774600 -11.7585 -64.4347 -210.683 33.993 -27.0483 214.859 -194.292 299.001 278.992 PRESSAVG: 4774600 15.7159 23.7265 -11.6511 23.7265 21.1609 -27.7503 -11.6511 -27.7503 8.17297 GPRESSAVG: 4774600 15.4664 25.0015 -12.8067 23.3942 21.131 -26.84 -11.5519 -27.009 8.40864 TIMING: 4774600 CPU: 15098.6, 0.00316918/step Wall: 15098.6, 0.00316918/step, 0.198426 hours remaining, 237.136719 MB of memory in use. ENERGY: 4774600 3999.1337 20595.7194 14467.8593 240.8059 -203753.6838 2585.7686 0.0000 0.0000 51901.9874 -109962.4096 298.2814 -161864.3970 -109594.2194 299.0392 54.6566 80.0618 759867.5506 15.0166 15.0020 PRESSURE: 4774800 156.404 -110.471 5.09087 -110.471 -18.9661 434.936 5.09104 434.936 73.252 GPRESSURE: 4774800 244.489 -17.4551 4.71581 -100.492 -6.81411 314.858 71.4594 367.472 65.1453 PRESSAVG: 4774800 11.7891 -4.38373 1.46614 -4.38363 -19.799 31.3433 1.46616 31.3433 10.8111 GPRESSAVG: 4774800 12.7642 -5.51635 1.16858 -2.31705 -19.9945 31.3655 2.84464 28.8341 10.2501 TIMING: 4774800 CPU: 15099.2, 0.00318971/step Wall: 15099.2, 0.00318971/step, 0.199534 hours remaining, 237.136719 MB of memory in use. ENERGY: 4774800 4055.0444 20649.3133 14454.6691 247.4692 -203754.0166 2600.5995 0.0000 0.0000 51773.1952 -109973.7260 297.5413 -161746.9212 -109612.9326 298.2256 70.2299 100.9399 759983.9563 0.9337 1.0066 PRESSURE: 4775000 394.832 10.2523 57.5697 10.2515 -30.2994 512.427 57.5694 512.428 -358.747 GPRESSURE: 4775000 390.413 -27.4424 -17.791 70.8327 -1.88795 487.855 -29.0036 382.606 -276.39 PRESSAVG: 4775000 2.76362 29.7053 8.85717 29.7052 15.4396 32.3582 8.85714 32.3582 9.9658 GPRESSAVG: 4775000 1.81632 29.9482 8.93242 29.1355 15.283 31.2255 9.28346 33.5889 11.2226 TIMING: 4775000 CPU: 15099.9, 0.00320528/step Wall: 15099.9, 0.00320528/step, 0.20033 hours remaining, 237.136719 MB of memory in use. ENERGY: 4775000 3979.5566 20523.8067 14507.4555 241.6745 -203865.4280 2781.0524 0.0000 0.0000 51828.1102 -110003.7720 297.8569 -161831.8822 -109644.3804 298.6249 1.9285 37.3782 760432.4129 9.3897 9.4407 PRESSURE: 4775200 -349.02 -120.194 216.676 -120.194 -69.91 -127.267 216.676 -127.266 118.628 GPRESSURE: 4775200 -299.121 -159.84 136.417 -135.714 -29.6687 -158.367 118.871 -67.0293 144.465 PRESSAVG: 4775200 2.60642 -52.245 -17.1283 -52.245 -9.95652 35.8273 -17.1283 35.8273 10.2047 GPRESSAVG: 4775200 3.53057 -50.6888 -16.832 -54.3862 -9.51908 37.7292 -19.3337 34.9906 9.22051 TIMING: 4775200 CPU: 15100.5, 0.00318364/step Wall: 15100.5, 0.00318364/step, 0.198801 hours remaining, 237.136719 MB of memory in use. ENERGY: 4775200 3995.4828 20444.0265 14414.0434 255.4192 -203639.7363 2751.2304 0.0000 0.0000 51893.2207 -109886.3135 298.2311 -161779.5341 -109515.6216 298.6811 -100.1008 -61.4416 760898.8163 0.9515 1.0773 PRESSURE: 4775400 -14.0181 84.7396 -202.76 84.7392 -216.347 111.91 -202.76 111.91 -188.059 GPRESSURE: 4775400 -61.9031 68.3269 -270.385 55.635 -104.298 129.802 70.6547 25.2924 -151.889 PRESSAVG: 4775400 -17.3364 54.7976 -66.2937 54.7977 4.73926 -5.12342 -66.2937 -5.12347 0.0649963 GPRESSAVG: 4775400 -17.1505 53.3304 -66.5269 56.8962 4.81255 -6.18369 -64.862 -3.28332 -0.0497288 TIMING: 4775400 CPU: 15101.2, 0.00316372/step Wall: 15101.2, 0.00316372/step, 0.197381 hours remaining, 237.136719 MB of memory in use. ENERGY: 4775400 4016.4580 20547.0497 14475.1420 241.8489 -203562.3542 2502.6271 0.0000 0.0000 51891.9345 -109887.2940 298.2237 -161779.2284 -109531.0754 298.2300 -139.4748 -106.0301 759740.8132 -4.1774 -4.1292 PRESSURE: 4775600 -108.413 102.377 -167.837 102.377 -42.4095 -66.5003 -167.836 -66.501 80.5598 GPRESSURE: 4775600 -56.5161 75.7279 -183.276 124.619 32.9168 21.7218 -217.709 -134.748 23.9235 PRESSAVG: 4775600 -12.7249 33.7276 -34.2815 33.7276 22.7939 -3.81321 -34.2815 -3.81319 12.162 GPRESSAVG: 4775600 -12.746 34.8831 -33.9258 33.579 23.2664 -4.02986 -33.7699 -5.33119 11.837 TIMING: 4775600 CPU: 15101.8, 0.0031894/step Wall: 15101.8, 0.0031894/step, 0.198806 hours remaining, 237.136719 MB of memory in use. ENERGY: 4775600 4029.3701 20452.3891 14537.9636 253.7343 -203641.5466 2640.5242 0.0000 0.0000 51837.6526 -109889.9127 297.9117 -161727.5653 -109521.9991 298.5419 -23.4211 0.1081 760571.9510 7.4103 7.4524 PRESSURE: 4775800 105.715 68.202 -86.7101 68.2017 110.381 -267.43 -86.7104 -267.431 346.461 GPRESSURE: 4775800 220.143 -12.6175 -92.1858 30.6351 69.668 -329.725 -32.3473 -260.084 377.395 PRESSAVG: 4775800 -3.22719 -18.2388 6.16017 -18.2388 -19.3788 -40.5352 6.16018 -40.5353 -19.6117 GPRESSAVG: 4775800 -3.27773 -19.1261 5.28597 -22.1397 -20.6032 -40.5599 6.13542 -37.3771 -18.0536 TIMING: 4775800 CPU: 15102.4, 0.00317288/step Wall: 15102.4, 0.00317288/step, 0.1976 hours remaining, 237.136719 MB of memory in use. ENERGY: 4775800 3999.3014 20457.7159 14551.1934 245.3255 -203767.3981 2706.6706 0.0000 0.0000 52171.5404 -109635.6508 299.8306 -161807.1912 -109276.5438 298.3269 187.5189 222.4021 760449.3849 -14.0726 -13.9782 PRESSURE: 4776000 -206.337 43.1654 -215.594 43.1654 -147.138 -78.7842 -215.594 -78.7838 101.896 GPRESSURE: 4776000 -140.181 -5.8015 -227.794 157.982 -128.998 -71.2472 -182.968 -12.9506 104.261 PRESSAVG: 4776000 4.64177 -30.9816 -4.46407 -30.9816 6.38578 -3.705 -4.46403 -3.70503 -2.36059 GPRESSAVG: 4776000 4.4392 -30.7907 -3.00645 -28.4966 6.99628 -4.89325 -4.84307 -4.75695 -2.89983 TIMING: 4776000 CPU: 15103.1, 0.00315827/step Wall: 15103.1, 0.00315827/step, 0.196514 hours remaining, 237.136719 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: 4776000 3977.1565 20456.6210 14464.1015 248.6343 -203160.2845 2530.8854 0.0000 0.0000 52035.3719 -109447.5138 299.0480 -161482.8857 -109083.6196 298.8383 -83.8599 -54.9726 761035.5858 2.8890 2.8452 PRESSURE: 4776200 191.6 66.2066 33.9438 66.2057 -60.0437 327.202 33.9431 327.203 -170.769 GPRESSURE: 4776200 94.9608 123.765 32.7447 34.4 43.5324 283.446 35.1454 182.907 -122.54 PRESSAVG: 4776200 -18.5168 15.6804 -2.12571 15.6803 12.2282 45.8961 -2.12574 45.8962 -14.528 GPRESSAVG: 4776200 -16.6722 14.7754 -3.29387 17.2388 11.4322 47.3885 -1.93557 41.5146 -15.4508 TIMING: 4776200 CPU: 15103.7, 0.00315251/step Wall: 15103.7, 0.00315251/step, 0.195981 hours remaining, 237.136719 MB of memory in use. ENERGY: 4776200 4023.2017 20582.6402 14525.5159 247.9041 -203728.6486 2648.9613 0.0000 0.0000 52268.7173 -109431.7082 300.3890 -161700.4255 -109073.8979 298.9821 -13.0710 5.3176 760256.8007 -6.9389 -6.8969 LDB: ============= START OF LOAD BALANCING ============== 15116.2 LDB: ============== END OF LOAD BALANCING =============== 15116.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15116.2 LDB: ============= START OF LOAD BALANCING ============== 15116.5 LDB: Largest compute 7077 load 0.035738 is 18.3% of average load 0.195486 LDB: Average compute 0.004412 is 2.3% of average load 0.195486 LDB: TIME 15116.5 LOAD: AVG 0.195486 MAX 0.215885 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.234 MB LDB: TIME 15116.5 LOAD: AVG 0.195486 MAX 0.215885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 15116.5 LOAD: AVG 0.195486 MAX 0.215885 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 15116.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15116.6 PRESSURE: 4776400 47.9252 16.314 127.04 16.314 253.198 314.616 127.041 314.615 131.25 GPRESSURE: 4776400 69.5969 -22.664 -29.2658 0.662321 308.112 295.426 103.407 353.145 120.133 PRESSAVG: 4776400 -2.06942 21.0236 -12.033 21.0236 -24.1706 33.2649 -12.033 33.2649 -7.99267 GPRESSAVG: 4776400 -4.09398 22.0391 -11.6564 19.6235 -23.7237 34.3995 -12.7657 34.6687 -6.86013 TIMING: 4776400 CPU: 15104.3, 0.00322284/step Wall: 15104.3, 0.00322284/step, 0.200174 hours remaining, 236.734375 MB of memory in use. ENERGY: 4776400 3994.6024 20645.1959 14458.7220 236.8692 -203645.0546 2673.8689 0.0000 0.0000 51920.4674 -109715.3288 298.3876 -161635.7962 -109360.8399 299.2718 144.1243 165.9473 760999.0176 -11.4109 -11.5593 PRESSURE: 4776600 -108.642 -31.1319 106.92 -31.1321 49.6312 -26.7868 106.919 -26.787 -34.4181 GPRESSURE: 4776600 -11.1724 76.5167 109.484 66.1373 22.7409 -103.156 225.529 -141.36 -10.2313 PRESSAVG: 4776600 -31.3023 3.0186 -14.6462 3.01858 26.4878 23.2426 -14.6462 23.2427 -12.2024 GPRESSAVG: 4776600 -30.6854 1.89671 -16.2611 4.38247 26.1932 20.5558 -14.347 26.2737 -12.0742 TIMING: 4776600 CPU: 15105, 0.00314134/step Wall: 15105, 0.00314134/step, 0.194938 hours remaining, 236.937500 MB of memory in use. ENERGY: 4776600 3944.4668 20440.2274 14413.4494 225.8293 -203773.9244 2760.2988 0.0000 0.0000 52096.7992 -109892.8534 299.4010 -161989.6526 -109538.2601 298.4468 -31.1428 0.4457 761550.7007 -5.6723 -5.5221 PRESSURE: 4776800 -155.749 144.55 -31.4269 144.549 -108.006 126.701 -31.4282 126.701 442.654 GPRESSURE: 4776800 -114.2 206.763 -12.3337 21.8002 -45.0728 176.648 -52.8066 241.45 437.243 PRESSAVG: 4776800 -36.1197 2.33214 -52.1063 2.33215 87.343 -9.79251 -52.1063 -9.79238 25.9946 GPRESSAVG: 4776800 -35.4725 3.51629 -50.5931 3.30685 86.7904 -8.27889 -51.0143 -11.5225 25.6812 TIMING: 4776800 CPU: 15105.6, 0.00316565/step Wall: 15105.6, 0.00316565/step, 0.19627 hours remaining, 236.937500 MB of memory in use. ENERGY: 4776800 4057.9377 20480.2646 14471.4014 246.6169 -203674.5643 2400.2623 0.0000 0.0000 52186.5713 -109831.5101 299.9169 -162018.0815 -109463.4196 298.8721 59.6329 92.6569 758895.8429 25.7393 25.6664 PRESSURE: 4777000 -174.43 -28.9674 24.1166 -28.9674 -373.41 -15.9747 24.1173 -15.9741 49.6718 GPRESSURE: 4777000 -153.927 53.0366 11.9379 -30.1981 -289.476 -33.78 -95.1765 -97.5127 33.9045 PRESSAVG: 4777000 -17.7125 3.05696 41.6677 3.05695 15.2365 10.4143 41.6676 10.4143 -2.86631 GPRESSAVG: 4777000 -18.8523 1.88303 41.1695 1.23416 16.2022 9.65662 40.6581 10.8179 -2.3433 TIMING: 4777000 CPU: 15106.2, 0.00315781/step Wall: 15106.2, 0.00315781/step, 0.195609 hours remaining, 236.937500 MB of memory in use. ENERGY: 4777000 4000.2792 20461.1458 14542.6633 253.3572 -203140.8545 2195.1486 0.0000 0.0000 52074.6571 -109613.6033 299.2738 -161688.2604 -109245.7109 298.7389 -166.0562 -136.4998 762120.2666 -1.7807 -1.6645 PRESSURE: 4777200 -384.45 -64.3955 54.7302 -64.3952 -450.104 96.7805 54.7311 96.7806 -20.1626 GPRESSURE: 4777200 -367.712 -76.554 127.82 -60.111 -387.439 15.4367 -6.68449 77.2776 2.29317 PRESSAVG: 4777200 -25.6053 -17.7869 10.8871 -17.7869 -7.48611 -30.4609 10.8872 -30.461 19.4201 GPRESSAVG: 4777200 -25.1907 -17.7017 11.535 -16.7136 -6.84182 -30.3035 8.31279 -30.4091 18.5032 TIMING: 4777200 CPU: 15106.9, 0.00315851/step Wall: 15106.9, 0.00315851/step, 0.195476 hours remaining, 236.937500 MB of memory in use. ENERGY: 4777200 3931.1241 20543.8355 14463.9955 269.6293 -203157.2487 2277.3794 0.0000 0.0000 51751.4893 -109919.7955 297.4165 -161671.2848 -109549.4085 298.2453 -284.9055 -250.9527 761053.5798 -4.5571 -4.5098 PRESSURE: 4777400 22.8052 88.6821 -33.6302 88.6818 -71.9877 -263.565 -33.6316 -263.565 169.582 GPRESSURE: 4777400 49.4088 31.2589 -7.34485 89.8829 -30.9427 -201.004 -59.2212 -121.998 186.739 PRESSAVG: 4777400 37.0947 30.0171 -1.15515 30.0171 -3.12331 57.1194 -1.15516 57.1194 3.39256 GPRESSAVG: 4777400 36.7863 28.7569 -1.40148 30.2924 -3.8358 56.5867 1.79046 59.0195 4.17827 TIMING: 4777400 CPU: 15107.5, 0.0031653/step Wall: 15107.5, 0.0031653/step, 0.195721 hours remaining, 236.937500 MB of memory in use. ENERGY: 4777400 3995.1402 20433.0227 14498.9973 256.1941 -203545.3439 2623.6636 0.0000 0.0000 51877.8460 -109860.4801 298.1427 -161738.3261 -109506.1702 298.2883 40.1332 68.4019 760185.9942 12.4547 12.3762 PRESSURE: 4777600 -76.0886 -138.881 49.0224 -138.882 -259.771 14.9916 49.0221 14.9919 -279.609 GPRESSURE: 4777600 -107.15 -45.1946 93.6353 -82.0523 -243.029 -11.946 35.7769 -19.4804 -181.509 PRESSAVG: 4777600 -8.97258 46.1384 -70.2543 46.1383 20.6364 -28.1413 -70.2544 -28.1413 0.000191179 GPRESSAVG: 4777600 -7.83619 47.1288 -70.6784 46.7854 20.5113 -28.6861 -70.8609 -29.4018 -1.09151 TIMING: 4777600 CPU: 15108.1, 0.00316092/step Wall: 15108.1, 0.00316092/step, 0.195275 hours remaining, 236.937500 MB of memory in use. ENERGY: 4777600 4051.2089 20328.5395 14462.6792 244.6219 -203353.2946 2754.3683 0.0000 0.0000 51847.3035 -109664.5733 297.9672 -161511.8768 -109307.9835 298.7537 -205.1562 -177.2294 763542.7469 3.8880 3.8612 PRESSURE: 4777800 -30.3782 -244.574 -174.166 -244.574 32.6599 -120.594 -174.167 -120.594 -179.812 GPRESSURE: 4777800 -12.734 -204.607 -115.968 -251.45 47.3602 -105.041 -219.243 -82.1128 -132.133 PRESSAVG: 4777800 -17.4198 -39.5427 -68.4863 -39.5427 31.5651 17.096 -68.4863 17.0959 -5.29654 GPRESSAVG: 4777800 -19.6263 -38.7574 -70.2985 -39.7203 32.3396 17.1808 -69.3389 17.0559 -3.11048 TIMING: 4777800 CPU: 15108.8, 0.00315667/step Wall: 15108.8, 0.00315667/step, 0.194837 hours remaining, 236.937500 MB of memory in use. ENERGY: 4777800 3994.4528 20402.9631 14504.6705 247.5635 -203274.5611 2502.3433 0.0000 0.0000 51982.6035 -109639.9644 298.7447 -161622.5679 -109275.0784 298.4555 -59.1768 -32.5022 761931.0515 2.9496 3.2010 PRESSURE: 4778000 -340.567 -22.0051 58.8933 -22.0046 95.6913 53.9894 58.8932 53.989 144.521 GPRESSURE: 4778000 -296.241 92.7611 163.864 -132.83 158.119 -7.67269 -58.5025 43.4873 119.41 PRESSAVG: 4778000 -12.8986 -70.7741 -36.0873 -70.7741 4.199 -44.3686 -36.0873 -44.3686 -7.41171 GPRESSAVG: 4778000 -10.627 -70.5794 -33.7913 -71.2994 4.41677 -43.9623 -35.6097 -46.2605 -9.86423 TIMING: 4778000 CPU: 15109.4, 0.00316895/step Wall: 15109.4, 0.00316895/step, 0.195418 hours remaining, 236.937500 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: 4778000 3958.7426 20521.5086 14434.4512 226.1073 -203044.5374 2371.4586 0.0000 0.0000 52198.7046 -109333.5646 299.9867 -161532.2692 -108967.0396 299.3864 -33.4514 -6.2374 760821.5692 -5.3704 -5.3582 PRESSURE: 4778200 -121.681 -24.1609 -203.207 -24.1609 -103.704 -39.4815 -203.209 -39.4808 40.0982 GPRESSURE: 4778200 -74.4222 -24.2817 -201.899 -74.8747 -51.7683 -63.7124 -192.448 -67.2555 25.4968 PRESSAVG: 4778200 26.6515 10.8944 -60.6356 10.8944 -30.699 -7.03296 -60.6356 -7.03307 10.389 GPRESSAVG: 4778200 27.2089 9.7268 -62.1623 11.927 -31.5012 -6.74082 -59.8614 -7.70097 11.0455 TIMING: 4778200 CPU: 15110, 0.00316976/step Wall: 15110, 0.00316976/step, 0.195292 hours remaining, 236.937500 MB of memory in use. ENERGY: 4778200 3977.7128 20525.0109 14553.5403 248.3887 -203542.0645 2712.4959 0.0000 0.0000 52266.7501 -109258.1658 300.3777 -161524.9158 -108895.5322 299.4078 -61.7622 -33.5646 761452.7668 2.1138 2.2511 PRESSURE: 4778400 -50.5269 13.334 -201.768 13.3347 -98.5516 -211.854 -201.768 -211.855 -77.061 GPRESSURE: 4778400 -86.7309 -92.1953 -210.456 44.4321 12.1564 -269.402 -210.955 27.7833 -92.5036 PRESSAVG: 4778400 -25.1956 -1.93243 -25.9168 -1.93243 6.12148 -31.1306 -25.9168 -31.1305 -14.862 GPRESSAVG: 4778400 -25.5588 -0.868179 -26.0868 -2.88709 6.9931 -32.4851 -26.7392 -27.8961 -16.0263 TIMING: 4778400 CPU: 15110.7, 0.00316343/step Wall: 15110.7, 0.00316343/step, 0.194727 hours remaining, 236.937500 MB of memory in use. ENERGY: 4778400 4023.5122 20474.3460 14397.3631 234.3486 -203224.8317 2503.2873 0.0000 0.0000 52391.6790 -109200.2956 301.0957 -161591.9745 -108846.0676 299.8072 -75.3798 -55.6927 762991.4252 -11.3120 -11.5307 PRESSURE: 4778600 -12.3648 -51.653 2.36942 -51.6531 99.9191 -269.806 2.37034 -269.807 -135.207 GPRESSURE: 4778600 184.888 -90.2361 -7.62499 18.9259 25.08 -293.593 14.8637 -216.746 -163.059 PRESSAVG: 4778600 -9.14273 36.8812 0.830798 36.8813 -27.8046 -16.201 0.830849 -16.201 -15.187 GPRESSAVG: 4778600 -8.73336 36.3255 1.29674 37.7356 -29.0697 -14.877 0.738684 -18.1304 -14.3738 TIMING: 4778600 CPU: 15111.3, 0.00314737/step Wall: 15111.3, 0.00314737/step, 0.193563 hours remaining, 236.937500 MB of memory in use. ENERGY: 4778600 3972.3674 20433.8619 14465.3765 253.9361 -203316.5377 2766.5715 0.0000 0.0000 52122.3434 -109302.0810 299.5478 -161424.4243 -108936.3497 299.4036 -15.8843 15.6361 762752.1475 -17.3781 -17.3923 PRESSURE: 4778800 -247.188 -38.0756 219.436 -38.0756 -57.2919 -156.152 219.436 -156.152 -69.9944 GPRESSURE: 4778800 -216.551 42.1094 168.888 -27.6336 26.6388 -86.7185 188.081 -138.042 -122.371 PRESSAVG: 4778800 -26.1358 -7.00895 -17.8754 -7.00897 0.303323 -77.0021 -17.8754 -77.0022 16.4065 GPRESSAVG: 4778800 -26.3205 -7.80458 -17.0683 -5.96338 0.0553606 -77.3918 -17.5406 -76.2861 16.6719 TIMING: 4778800 CPU: 15111.9, 0.00316749/step Wall: 15111.9, 0.00316749/step, 0.194625 hours remaining, 236.937500 MB of memory in use. ENERGY: 4778800 3982.0095 20371.5535 14588.8201 232.9308 -203115.8951 2506.4008 0.0000 0.0000 52139.4283 -109294.7522 299.6460 -161434.1805 -108934.3546 299.6758 -124.8247 -104.0943 763238.5082 -3.1420 -3.1977 PRESSURE: 4779000 74.6403 251.216 135.615 251.216 167.792 112.451 135.614 112.451 64.5641 GPRESSURE: 4779000 157.199 158.792 135.309 185.938 166.168 139.389 65.3065 58.2204 85.7166 PRESSAVG: 4779000 -19.2944 -14.4477 34.394 -14.4476 16.2045 -51.1508 34.3939 -51.1508 -35.1292 GPRESSAVG: 4779000 -18.7245 -14.1158 34.1329 -16.0127 16.5722 -51.129 33.4163 -52.1091 -35.6808 TIMING: 4779000 CPU: 15112.6, 0.00317334/step Wall: 15112.6, 0.00317334/step, 0.194808 hours remaining, 236.937500 MB of memory in use. ENERGY: 4779000 3986.0317 20497.9142 14538.1468 234.9777 -203454.4803 2640.4282 0.0000 0.0000 52159.5349 -109397.4469 299.7616 -161556.9817 -109034.9202 299.7554 102.3321 136.3612 761915.8813 -12.7397 -12.6110 PRESSURE: 4779200 -114.014 -195.223 -43.3292 -195.224 -65.8876 -336.202 -43.3293 -336.203 73.9545 GPRESSURE: 4779200 -71.5399 -102.651 -5.21334 -121.549 -71.304 -360.006 -16.5864 -308.78 98.4517 PRESSAVG: 4779200 -17.6746 17.762 -57.0132 17.762 7.36562 -42.2251 -57.0132 -42.2251 31.9859 GPRESSAVG: 4779200 -17.3566 20.1717 -56.5879 18.1304 6.35013 -41.0223 -56.2442 -45.0345 32.3149 TIMING: 4779200 CPU: 15113.2, 0.00317066/step Wall: 15113.2, 0.00317066/step, 0.194467 hours remaining, 236.937500 MB of memory in use. ENERGY: 4779200 3962.6202 20499.4708 14520.7968 258.6189 -203481.3637 2650.4970 0.0000 0.0000 52134.4021 -109454.9579 299.6171 -161589.3600 -109086.2142 299.7514 -35.3156 -14.7974 759628.5607 7.2256 7.1028 PRESSURE: 4779400 -99.3689 224.927 74.0408 224.928 126.748 -161.68 74.0403 -161.681 -136.793 GPRESSURE: 4779400 -5.27576 179.399 -31.5 307.629 127.946 -135.172 172.409 -143.287 -140.45 PRESSAVG: 4779400 -18.7686 37.2993 17.9958 37.2993 19.4916 -35.3117 17.9958 -35.3116 -18.4598 GPRESSAVG: 4779400 -20.5598 34.6532 17.1101 36.4863 21.6771 -37.7622 17.5735 -31.6352 -18.8485 TIMING: 4779400 CPU: 15113.8, 0.0031707/step Wall: 15113.8, 0.0031707/step, 0.194293 hours remaining, 236.937500 MB of memory in use. ENERGY: 4779400 4107.2689 20516.0426 14531.6382 253.6882 -203059.6539 2446.6934 0.0000 0.0000 51918.3255 -109285.9972 298.3753 -161204.3226 -108936.2167 299.1750 -36.4713 -5.9265 761361.6508 -5.9123 -5.9104 PRESSURE: 4779600 134.633 -56.7747 300.12 -56.7742 60.1104 -174.915 300.12 -174.916 -106.899 GPRESSURE: 4779600 100.782 -137.442 236.914 -98.2784 161.313 -254.74 355.227 -90.7387 -80.543 PRESSAVG: 4779600 -45.6959 -17.3478 29.8349 -17.3478 106.853 -55.9939 29.8349 -55.9938 9.29522 GPRESSAVG: 4779600 -45.9119 -15.8073 27.7444 -17.2513 106.881 -54.4563 30.6114 -57.016 9.87973 TIMING: 4779600 CPU: 15114.5, 0.00318083/step Wall: 15114.5, 0.00318083/step, 0.194738 hours remaining, 236.937500 MB of memory in use. ENERGY: 4779600 3963.5375 20460.4214 14514.6171 246.6056 -203498.5565 2759.0373 0.0000 0.0000 51919.0717 -109635.2659 298.3796 -161554.3375 -109268.9424 299.1743 29.2815 60.5172 760170.0478 23.4840 23.6163 PRESSURE: 4779800 -169.201 33.1088 25.1943 33.1091 104.892 -13.3078 25.1939 -13.309 -243.215 GPRESSURE: 4779800 -141.568 -3.15507 68.34 66.6484 123.871 87.7406 32.3957 49.1356 -204.731 PRESSAVG: 4779800 -50.6623 -13.6461 -48.3164 -13.646 96.3711 -99.75 -48.3164 -99.75 -6.57397 GPRESSAVG: 4779800 -48.8316 -13.3316 -46.5186 -13.7043 94.4404 -99.9173 -48.3929 -98.811 -6.54743 TIMING: 4779800 CPU: 15115.1, 0.00317292/step Wall: 15115.1, 0.00317292/step, 0.194077 hours remaining, 236.937500 MB of memory in use. ENERGY: 4779800 3960.9500 20452.8643 14507.3800 237.7902 -203502.6174 2813.9830 0.0000 0.0000 51969.9792 -109559.6708 298.6722 -161529.6500 -109194.3038 298.3108 -102.5080 -74.1426 761105.9500 13.0449 13.0205 PRESSURE: 4780000 -304.009 36.1093 -71.7429 36.1085 87.2733 -13.7262 -71.7444 -13.7256 -101.973 GPRESSURE: 4780000 -271.054 7.15087 -58.4522 4.81764 117.383 -87.7833 -80.7091 -58.683 -70.5963 PRESSAVG: 4780000 -47.2196 -28.9343 8.44628 -28.9342 41.8407 3.69659 8.44623 3.69656 -9.61758 GPRESSAVG: 4780000 -47.9652 -29.3339 9.90568 -29.159 42.3859 3.40324 6.92037 4.03618 -8.87588 TIMING: 4780000 CPU: 15115.7, 0.00315635/step Wall: 15115.7, 0.00315635/step, 0.192888 hours remaining, 236.937500 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: 4780000 3956.2499 20452.8469 14570.3006 250.9241 -203250.4363 2466.0001 0.0000 0.0000 52090.7317 -109463.3830 299.3662 -161554.1147 -109102.6208 298.8079 -106.2361 -74.7559 762414.8394 -4.9988 -4.8184 PRESSURE: 4780200 136.356 -70.7271 -70.4192 -70.7267 -24.9085 26.5499 -70.4191 26.5502 -29.7504 GPRESSURE: 4780200 178.163 -76.536 -170.49 -139.413 -28.0864 13.0092 25.5846 30.5522 10.7149 PRESSAVG: 4780200 2.16546 -5.16011 24.1123 -5.16001 20.883 -40.6097 24.1123 -40.6097 -8.43724 GPRESSAVG: 4780200 3.08853 -4.3507 23.148 -4.15908 20.2543 -39.4753 23.9284 -40.7046 -8.5131 TIMING: 4780200 CPU: 15116.4, 0.00316229/step Wall: 15116.4, 0.00316229/step, 0.193075 hours remaining, 236.937500 MB of memory in use. ENERGY: 4780200 3950.2857 20309.1528 14548.2328 249.3863 -202859.4792 2539.2670 0.0000 0.0000 51761.4817 -109501.6729 297.4739 -161263.1546 -109150.3307 298.9310 27.2325 53.5970 762503.1075 4.8704 4.9432 LDB: ============= START OF LOAD BALANCING ============== 15128.9 LDB: ============== END OF LOAD BALANCING =============== 15128.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15128.9 LDB: ============= START OF LOAD BALANCING ============== 15129.2 LDB: Largest compute 7077 load 0.035239 is 18.0% of average load 0.195584 LDB: Average compute 0.004386 is 2.2% of average load 0.195584 LDB: TIME 15129.2 LOAD: AVG 0.195584 MAX 0.215509 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.031 MB LDB: TIME 15129.2 LOAD: AVG 0.195584 MAX 0.215509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: TIME 15129.2 LOAD: AVG 0.195584 MAX 0.215509 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.238 MB LDB: ============== END OF LOAD BALANCING =============== 15129.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15129.2 PRESSURE: 4780400 -331.478 -71.0941 176.482 -71.0938 -158.324 -71.61 176.482 -71.6101 -3.45229 GPRESSURE: 4780400 -296.055 -66.1328 149.979 -64.2146 -83.4144 -110.159 138.103 -140.23 -15.5783 PRESSAVG: 4780400 -25.9259 -16.2095 39.2018 -16.2095 25.5642 -28.9854 39.2017 -28.9854 0.954083 GPRESSAVG: 4780400 -26.2024 -16.8545 38.2743 -18.9285 25.3674 -27.8881 39.3399 -29.0459 1.09892 TIMING: 4780400 CPU: 15117, 0.00322022/step Wall: 15117, 0.00322022/step, 0.196434 hours remaining, 235.761719 MB of memory in use. ENERGY: 4780400 3991.4617 20705.1281 14447.2738 261.6182 -203561.0425 2578.1766 0.0000 0.0000 52154.3237 -109423.0605 299.7316 -161577.3842 -109071.9082 298.7206 -164.4181 -131.6827 760524.4835 0.1974 0.0880 PRESSURE: 4780600 14.0916 307.329 68.4845 307.328 -533.99 -248.31 68.4847 -248.309 -363.212 GPRESSURE: 4780600 146.707 310.426 113.932 486.856 -462.834 -243.707 113.551 -282.81 -476.947 PRESSAVG: 4780600 39.4916 -49.1354 -28.9842 -49.1354 -20.5701 -3.93374 -28.9842 -3.93381 20.2843 GPRESSAVG: 4780600 40.2684 -52.5088 -26.8531 -45.8463 -20.4615 -5.72764 -27.9075 -3.5802 19.8876 TIMING: 4780600 CPU: 15117.6, 0.00315742/step Wall: 15117.6, 0.00315742/step, 0.192427 hours remaining, 236.312500 MB of memory in use. ENERGY: 4780600 3999.2138 20489.9525 14460.6914 268.5926 -202880.7500 2387.2239 0.0000 0.0000 52177.7743 -109097.3015 299.8664 -161275.0757 -108739.5561 299.5572 -294.3701 -264.3578 761562.8715 13.0686 13.2315 PRESSURE: 4780800 -205.964 -144.62 -82.7018 -144.62 64.3954 -20.543 -82.7027 -20.5433 -228.214 GPRESSURE: 4780800 -150.013 -190.165 -1.23623 -189.154 47.8133 31.1131 -272.338 62.5059 -182.41 PRESSAVG: 4780800 11.7649 -20.9683 -56.9178 -20.9683 13.3069 -21.0459 -56.9177 -21.046 -1.10618 GPRESSAVG: 4780800 10.7702 -19.0562 -58.2406 -23.5279 14.7074 -20.7026 -56.9494 -23.0199 -1.59889 TIMING: 4780800 CPU: 15118.3, 0.00315633/step Wall: 15118.3, 0.00315633/step, 0.192186 hours remaining, 236.312500 MB of memory in use. ENERGY: 4780800 3968.5931 20562.3717 14462.6240 250.5543 -202793.9385 2340.1752 0.0000 0.0000 52203.9222 -109005.6980 300.0167 -161209.6201 -108635.2581 300.0676 -123.2609 -94.8700 764156.5201 7.9885 7.9596 PRESSURE: 4781000 57.7972 -110.661 -12.4153 -110.662 -2.66491 179.371 -12.4153 179.372 -259.209 GPRESSURE: 4781000 94.568 -38.027 80.4451 -205.856 30.2478 167.872 103.974 110.545 -218.948 PRESSAVG: 4781000 -20.8113 -25.5691 -42.1175 -25.5692 11.7834 0.86067 -42.1175 0.860651 -0.305374 GPRESSAVG: 4781000 -21.4061 -24.2117 -42.3434 -26.7825 11.1712 1.06961 -43.1191 4.02741 1.01617 TIMING: 4781000 CPU: 15118.9, 0.00316495/step Wall: 15118.9, 0.00316495/step, 0.192535 hours remaining, 236.312500 MB of memory in use. ENERGY: 4781000 3989.8372 20571.6764 14421.8902 266.9612 -202797.1456 2557.5641 0.0000 0.0000 51995.9332 -108993.2831 298.8213 -160989.2163 -108631.0816 299.8815 -68.0257 -31.3775 762253.1007 -3.1111 -3.0729 PRESSURE: 4781200 156.724 -102.703 -137.689 -102.703 427.72 -62.0053 -137.689 -62.0049 282.718 GPRESSURE: 4781200 202.791 -61.6052 -101.199 -79.5586 467.94 -167.574 -114.902 -173.044 295.617 PRESSAVG: 4781200 -16.3821 -100.165 -1.59052 -100.165 5.69649 9.99182 -1.59057 9.9919 -24.2961 GPRESSAVG: 4781200 -15.545 -102.968 -1.68272 -99.3794 5.44971 8.68761 -0.599668 7.49749 -24.998 TIMING: 4781200 CPU: 15119.5, 0.00318897/step Wall: 15119.5, 0.00318897/step, 0.193818 hours remaining, 236.312500 MB of memory in use. ENERGY: 4781200 3976.3908 20614.5630 14413.2448 250.8782 -203123.9867 2532.2910 0.0000 0.0000 52152.0875 -109184.5314 299.7188 -161336.6190 -108828.0389 299.8309 289.0539 322.1156 760330.2530 -11.6606 -11.6978 PRESSURE: 4781400 147.279 -165.158 179.217 -165.158 185.292 31.8132 179.216 31.8124 581.642 GPRESSURE: 4781400 206.491 -240.7 132.895 -144.303 103.091 68.702 113.078 9.07771 701.136 PRESSAVG: 4781400 -25.8584 -55.8795 -17.1332 -55.8796 50.823 -14.5018 -17.1333 -14.5018 -13.2943 GPRESSAVG: 4781400 -26.5549 -54.6173 -15.8799 -53.5684 50.3984 -13.6098 -16.892 -14.4903 -12.5418 TIMING: 4781400 CPU: 15120.2, 0.00317418/step Wall: 15120.2, 0.00317418/step, 0.192743 hours remaining, 236.312500 MB of memory in use. ENERGY: 4781400 4031.5945 20605.3427 14458.2754 243.6140 -203438.8357 2853.7164 0.0000 0.0000 52191.4394 -109054.8533 299.9449 -161246.2927 -108694.1327 299.9271 304.7376 336.9061 760468.6212 3.8901 3.7672 PRESSURE: 4781600 18.4825 -5.09465 16.6473 -5.09486 358.733 16.6471 16.6468 16.647 406.309 GPRESSURE: 4781600 102.891 -83.6374 38.5673 40.1924 420.49 -22.0761 -12.7185 7.96648 340.307 PRESSAVG: 4781600 -16.1835 -89.6292 39.3157 -89.6292 -0.344881 -21.7695 39.3158 -21.7695 10.2591 GPRESSAVG: 4781600 -15.6424 -90.3397 39.374 -90.7007 -0.143452 -22.9475 39.698 -23.6418 10.1673 TIMING: 4781600 CPU: 15120.8, 0.00317551/step Wall: 15120.8, 0.00317551/step, 0.192647 hours remaining, 236.312500 MB of memory in use. ENERGY: 4781600 3923.5560 20486.4418 14505.7314 253.3212 -203020.7308 2400.5503 0.0000 0.0000 52234.7442 -109216.3858 300.1938 -161451.1300 -108846.2538 299.8961 261.1747 287.8960 758687.9677 -2.0898 -1.8729 PRESSURE: 4781800 -108.937 -293.241 -66.9672 -293.241 -3.19599 -2.00213 -66.966 -2.0023 149.629 GPRESSURE: 4781800 -59.0868 -247.323 -131.586 -229.283 17.6525 -5.54714 -179.65 -29.7066 150.875 PRESSAVG: 4781800 28.9718 -50.7232 21.2468 -50.7231 -6.635 -19.2376 21.2467 -19.2377 -2.1001 GPRESSAVG: 4781800 28.9475 -49.3314 21.5108 -50.8522 -7.61016 -18.7419 18.9662 -19.5084 -1.67146 TIMING: 4781800 CPU: 15121.4, 0.00317691/step Wall: 15121.4, 0.00317691/step, 0.192556 hours remaining, 236.378906 MB of memory in use. ENERGY: 4781800 4002.7840 20645.7565 14526.9211 253.5372 -202924.0183 2258.7102 0.0000 0.0000 51941.1189 -109295.1905 298.5063 -161236.3094 -108936.7091 299.9169 12.4987 36.4802 761743.6272 6.7456 6.5553 PRESSURE: 4782000 587.992 -157.534 123.102 -157.535 31.1729 -49.2238 123.102 -49.2235 -78.7852 GPRESSURE: 4782000 470.626 -51.6159 166.245 -321.537 193.728 8.25693 93.3907 -6.42083 -38.0503 PRESSAVG: 4782000 -34.1993 -56.995 5.80729 -56.995 12.7101 -11.707 5.80726 -11.7071 4.12723 GPRESSAVG: 4782000 -34.2427 -54.5409 5.9832 -57.5211 14.0673 -11.5736 6.49575 -9.28797 3.14413 TIMING: 4782000 CPU: 15122.1, 0.00319095/step Wall: 15122.1, 0.00319095/step, 0.19323 hours remaining, 236.378906 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: 4782000 4016.9802 20526.3320 14505.0438 232.7666 -203345.9738 2779.5135 0.0000 0.0000 51981.5009 -109303.8368 298.7384 -161285.3376 -108941.1478 299.2966 180.1265 208.7678 762796.3585 -5.7873 -5.6771 PRESSURE: 4782200 19.3265 83.1358 -267.498 83.1354 -67.2926 -22.6732 -267.499 -22.6736 -84.6436 GPRESSURE: 4782200 19.4953 11.6233 -244.81 98.4699 39.3235 36.4571 -180.73 -107.595 -67.3978 PRESSAVG: 4782200 -42.2913 -48.9359 -3.37418 -48.9359 28.2236 49.4941 -3.37421 49.494 -4.1193 GPRESSAVG: 4782200 -41.8842 -51.9054 -3.76449 -47.4151 28.466 50.3101 -2.89052 47.916 -4.06632 TIMING: 4782200 CPU: 15122.7, 0.00317125/step Wall: 15122.7, 0.00317125/step, 0.191861 hours remaining, 236.378906 MB of memory in use. ENERGY: 4782200 3988.6134 20466.5997 14495.3129 239.0939 -203329.6478 2696.2497 0.0000 0.0000 52211.0111 -109232.7671 300.0574 -161443.7782 -108877.0808 299.3432 -44.2032 -2.8597 761685.8384 -6.0623 -5.8282 PRESSURE: 4782400 411.759 25.2164 -92.609 25.216 265.582 89.402 -92.6094 89.4025 132.062 GPRESSURE: 4782400 329.607 14.6995 -126.967 15.9512 337.593 114.044 65.8632 71.2782 207.321 PRESSAVG: 4782400 -6.89356 -2.62807 -21.6727 -2.62808 -0.378026 77.2707 -21.6726 77.2707 -29.7792 GPRESSAVG: 4782400 -7.4813 -3.1194 -21.5822 -3.56139 -0.162441 77.2993 -18.5682 78.3403 -29.7097 TIMING: 4782400 CPU: 15123.4, 0.00317715/step Wall: 15123.4, 0.00317715/step, 0.192041 hours remaining, 236.378906 MB of memory in use. ENERGY: 4782400 3930.8654 20513.7378 14514.4017 250.3612 -203097.9440 2540.8724 0.0000 0.0000 52167.0070 -109180.6986 299.8045 -161347.7056 -108819.5055 299.5213 269.8013 291.5068 761657.7375 -12.3503 -12.4511 PRESSURE: 4782600 143.644 -19.7593 -89.441 -19.7595 65.3932 87.6652 -89.4416 87.6657 -120.127 GPRESSURE: 4782600 198.741 -51.3496 -31.2936 -71.6904 79.9508 32.6534 -119.569 49.8969 -95.4233 PRESSAVG: 4782600 -40.6133 -11.8035 -42.4762 -11.8036 32.6429 43.4073 -42.4761 43.4072 -6.45347 GPRESSAVG: 4782600 -39.4546 -11.2246 -43.8205 -12.5259 32.8278 43.0935 -43.5542 43.3242 -8.03179 TIMING: 4782600 CPU: 15124, 0.00317258/step Wall: 15124, 0.00317258/step, 0.191588 hours remaining, 236.378906 MB of memory in use. ENERGY: 4782600 4046.0823 20728.2619 14509.0349 261.9406 -203067.2088 2389.4054 0.0000 0.0000 51934.9848 -109197.4989 298.4711 -161132.4837 -108838.9996 299.3414 29.6370 61.0895 760289.0973 -4.8079 -4.8862 PRESSURE: 4782800 9.2159 -288.025 -15.7275 -288.025 203.503 -60.1475 -15.7275 -60.1471 -5.85739 GPRESSURE: 4782800 71.7674 -236.736 -48.8033 -130.404 234.297 -32.6791 -154.074 -130.801 -16.7724 PRESSAVG: 4782800 -2.965 -54.6234 -16.7035 -54.6234 24.0558 -43.9277 -16.7036 -43.9276 11.9733 GPRESSAVG: 4782800 -4.50522 -55.5639 -15.2648 -53.3424 23.3929 -44.8456 -18.0601 -43.2397 14.5395 TIMING: 4782800 CPU: 15124.6, 0.00318135/step Wall: 15124.6, 0.00318135/step, 0.191941 hours remaining, 236.378906 MB of memory in use. ENERGY: 4782800 3966.8583 20450.8282 14469.1216 252.5017 -203278.2995 2848.1918 0.0000 0.0000 52161.0304 -109129.7675 299.7702 -161290.7978 -108770.2600 300.0068 68.9540 96.4307 761537.4728 11.0214 11.1424 PRESSURE: 4783000 52.8147 -65.77 -94.2158 -65.7708 283.489 112.505 -94.2166 112.509 -151.438 GPRESSURE: 4783000 14.7655 -78.2661 -84.4173 -119.819 290.862 38.0179 29.1185 62.8615 -31.4364 PRESSAVG: 4783000 9.1025 -30.5636 -25.903 -30.5637 5.85945 -41.2288 -25.9031 -41.2288 -3.23621 GPRESSAVG: 4783000 9.65436 -28.8397 -25.6334 -30.9098 6.52243 -41.0785 -25.3719 -43.3048 -3.98991 TIMING: 4783000 CPU: 15125.3, 0.00317083/step Wall: 15125.3, 0.00317083/step, 0.191131 hours remaining, 236.378906 MB of memory in use. ENERGY: 4783000 3897.8514 20658.5316 14449.3249 244.8361 -203055.9851 2246.1801 0.0000 0.0000 52294.2561 -109265.0049 300.5358 -161559.2610 -108910.7181 299.8309 61.6219 91.3970 759227.2864 3.9086 4.0623 PRESSURE: 4783200 -58.9498 -77.8505 62.3785 -77.8511 -128.974 -16.4194 62.3787 -16.4187 -446.05 GPRESSURE: 4783200 32.1062 -55.7673 105.966 11.5706 -170.688 19.0468 9.60948 -86.5439 -418.446 PRESSAVG: 4783200 -16.6486 -18.976 -18.8574 -18.9759 65.1196 -55.3887 -18.8573 -55.3887 -2.62974 GPRESSAVG: 4783200 -16.1556 -17.9124 -21.4596 -19.6016 64.2471 -56.1425 -19.7659 -55.2912 -2.62395 TIMING: 4783200 CPU: 15125.9, 0.00318756/step Wall: 15125.9, 0.00318756/step, 0.191962 hours remaining, 236.367188 MB of memory in use. ENERGY: 4783200 3999.4334 20505.4709 14507.8285 226.6084 -203189.0553 2429.6918 0.0000 0.0000 52026.1698 -109493.8525 298.9951 -161520.0223 -109137.7545 299.0038 -211.3247 -185.6760 760887.9794 15.2804 15.1558 PRESSURE: 4783400 -185.811 -186.873 -103.6 -186.874 -206.516 -486.473 -103.601 -486.474 -391.151 GPRESSURE: 4783400 -227.683 -206.55 -44.0869 -293.781 -152.3 -354.246 -86.8444 -493.633 -320.364 PRESSAVG: 4783400 -31.9511 -38.0429 -41.8094 -38.0429 11.606 -74.7796 -41.8093 -74.7797 2.2311 GPRESSAVG: 4783400 -32.3197 -40.5985 -39.8332 -38.3181 11.3715 -73.8004 -42.445 -75.2929 2.29368 TIMING: 4783400 CPU: 15126.5, 0.00316923/step Wall: 15126.5, 0.00316923/step, 0.190682 hours remaining, 236.367188 MB of memory in use. ENERGY: 4783400 3976.1527 20665.1710 14411.6013 247.7791 -202880.5789 2301.7806 0.0000 0.0000 51905.4785 -109372.6157 298.3015 -161278.0942 -109017.1793 299.6244 -261.1590 -233.4491 761114.7771 -6.0380 -6.2182 PRESSURE: 4783600 -101.841 -159.933 -104.32 -159.933 153.562 144.576 -104.321 144.576 -109.004 GPRESSURE: 4783600 -157.361 -163.003 11.7394 -123.128 220.314 151.353 35.0444 207.398 -24.2392 PRESSAVG: 4783600 -24.5359 -26.8696 -21.4787 -26.8697 35.0666 -15.0106 -21.4786 -15.0105 2.54636 GPRESSAVG: 4783600 -23.9414 -29.767 -20.1076 -26.8298 35.1808 -14.4316 -21.6701 -15.5057 2.07833 TIMING: 4783600 CPU: 15127.2, 0.00317841/step Wall: 15127.2, 0.00317841/step, 0.191058 hours remaining, 236.367188 MB of memory in use. ENERGY: 4783600 3943.4358 20362.7969 14500.1204 227.1592 -202818.4899 2324.1512 0.0000 0.0000 51924.3946 -109536.4319 298.4102 -161460.8265 -109164.4492 299.1611 -19.0945 12.9046 759937.0812 4.3590 4.4393 PRESSURE: 4783800 108.391 125.078 -0.13004 125.078 -224.721 69.3051 -0.129539 69.3065 -80.8934 GPRESSURE: 4783800 82.8015 73.3871 -12.7549 114.029 -126.409 -30.8494 -18.0693 80.161 -69.7692 PRESSAVG: 4783800 -47.3507 -24.8226 -10.6042 -24.8225 17.0203 35.2864 -10.6042 35.2864 8.39604 GPRESSAVG: 4783800 -48.2631 -21.485 -10.9152 -22.9581 17.9438 32.3103 -10.6053 38.4828 8.20434 TIMING: 4783800 CPU: 15127.8, 0.00316104/step Wall: 15127.8, 0.00316104/step, 0.189838 hours remaining, 236.367188 MB of memory in use. ENERGY: 4783800 3932.7787 20462.2466 14557.7175 234.6622 -202897.0186 2579.4763 0.0000 0.0000 51873.4440 -109256.6934 298.1174 -161130.1373 -108895.2279 299.1618 -65.7412 -37.7922 762333.9138 -7.3114 -7.3717 PRESSURE: 4784000 -66.8308 -59.6265 -117.708 -59.6268 66.1026 233.868 -117.707 233.868 -117.98 GPRESSURE: 4784000 2.47449 -103.519 -39.8194 -47.7419 51.8168 204.276 -111.256 214.77 -108.058 PRESSAVG: 4784000 1.8416 -43.6117 -3.45689 -43.6116 -1.34459 13.1184 -3.45686 13.1184 29.5274 GPRESSAVG: 4784000 1.49631 -43.957 -3.93332 -45.4133 -2.56096 13.7923 -3.36494 11.2163 31.3525 TIMING: 4784000 CPU: 15128.4, 0.00315389/step Wall: 15128.4, 0.00315389/step, 0.189233 hours remaining, 236.367188 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: 4784000 3936.1986 20666.6993 14439.7163 246.4513 -203338.0777 2618.3238 0.0000 0.0000 52149.2797 -109281.4087 299.7026 -161430.6884 -108914.1263 299.7374 -39.5693 -17.9222 762382.8879 10.0081 10.0960 PRESSURE: 4784200 133.324 -12.1558 -226.172 -12.1553 -60.309 128.387 -226.171 128.388 -81.0663 GPRESSURE: 4784200 112.293 65.92 -163.999 -75.2518 -40.7032 148.616 -224.831 -5.50756 -10.7615 PRESSAVG: 4784200 2.10571 -8.943 -29.4642 -8.94302 13.7316 -63.6905 -29.4642 -63.6905 -11.2558 GPRESSAVG: 4784200 4.29684 -7.714 -30.0287 -10.33 13.2791 -63.656 -27.4714 -64.8905 -12.6152 TIMING: 4784200 CPU: 15129.1, 0.0031635/step Wall: 15129.1, 0.0031635/step, 0.189634 hours remaining, 236.367188 MB of memory in use. ENERGY: 4784200 4042.2701 20370.6897 14451.1544 240.6802 -203636.6571 2780.6840 0.0000 0.0000 52365.7764 -109385.4023 300.9468 -161751.1787 -109025.6219 299.8251 -2.6836 20.2762 761404.8111 1.5272 1.6536 LDB: ============= START OF LOAD BALANCING ============== 15141.6 LDB: ============== END OF LOAD BALANCING =============== 15141.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15141.6 LDB: ============= START OF LOAD BALANCING ============== 15141.9 LDB: Largest compute 7026 load 0.034122 is 17.4% of average load 0.195619 LDB: Average compute 0.004383 is 2.2% of average load 0.195619 LDB: TIME 15141.9 LOAD: AVG 0.195619 MAX 0.217519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.191 MB LDB: TIME 15141.9 LOAD: AVG 0.195619 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.211 MB LDB: TIME 15141.9 LOAD: AVG 0.195619 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.211 MB LDB: ============== END OF LOAD BALANCING =============== 15141.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15141.9 PRESSURE: 4784400 116.653 65.7889 140.433 65.788 -72.1305 -22.5243 140.432 -22.5245 276.573 GPRESSURE: 4784400 165.861 -61.4073 36.9643 -48.6597 36.6861 52.6277 116.292 -12.9399 232.896 PRESSAVG: 4784400 -18.0422 15.0263 -11.7461 15.0263 6.45975 -22.0335 -11.7462 -22.0334 -13.098 GPRESSAVG: 4784400 -18.1991 14.2377 -11.7903 16.587 7.50913 -21.5579 -13.0188 -20.4255 -12.8127 TIMING: 4784400 CPU: 15129.7, 0.00326232/step Wall: 15129.7, 0.00326232/step, 0.195377 hours remaining, 236.097656 MB of memory in use. ENERGY: 4784400 3926.7806 20644.3222 14475.2543 238.9004 -203310.5326 2577.3599 0.0000 0.0000 52010.5401 -109437.3751 298.9053 -161447.9152 -109075.1671 299.4516 107.0318 145.1476 761670.7214 -8.2268 -7.8342 PRESSURE: 4784600 117.15 -3.32554 -134.848 -3.32637 34.9749 -174.525 -134.848 -174.525 -103.972 GPRESSURE: 4784600 105.4 100.937 -152.247 59.7393 144.919 -190.512 -46.6731 -51.575 -105.47 PRESSAVG: 4784600 11.1664 -39.599 22.404 -39.5989 6.58054 22.8163 22.404 22.8162 7.79668 GPRESSAVG: 4784600 10.2716 -38.5113 21.5572 -41.1392 8.56454 21.9728 21.6956 23.2599 7.02907 TIMING: 4784600 CPU: 15130.3, 0.0031642/step Wall: 15130.3, 0.0031642/step, 0.189325 hours remaining, 236.300781 MB of memory in use. ENERGY: 4784600 3950.8611 20361.7701 14482.8534 240.8409 -203302.5508 2483.3246 0.0000 0.0000 52392.8107 -109390.0901 301.1022 -161782.9008 -109020.8606 299.1576 16.0510 48.2830 760724.0126 8.5145 8.6217 PRESSURE: 4784800 248.356 -110.19 -102.917 -110.189 -238.05 68.2084 -102.918 68.2082 55.0919 GPRESSURE: 4784800 200.408 -147.958 -90.5253 -47.725 -102.939 84.3621 -191.074 159.343 55.8828 PRESSAVG: 4784800 40.8643 -30.7793 -3.29943 -30.7794 -50.209 -28.4963 -3.29937 -28.4963 -16.3328 GPRESSAVG: 4784800 41.3007 -31.915 -2.52906 -29.3772 -50.5562 -27.7846 -4.3974 -28.6741 -16.5218 TIMING: 4784800 CPU: 15131, 0.00316907/step Wall: 15131, 0.00316907/step, 0.18944 hours remaining, 236.542969 MB of memory in use. ENERGY: 4784800 3947.4595 20420.7769 14536.3998 259.4404 -203418.5994 2680.8459 0.0000 0.0000 52047.6258 -109526.0511 299.1184 -161573.6769 -109152.6252 299.1695 21.7992 51.1175 760748.4572 -8.5592 -8.5924 PRESSURE: 4785000 -77.4543 -92.9131 147.149 -92.9124 -48.7935 16.0668 147.148 16.067 -134.602 GPRESSURE: 4785000 -19.8861 -113.421 180.207 -34.2841 -93.7995 -6.71883 169.556 90.9812 -74.5934 PRESSAVG: 4785000 34.6466 -85.4079 34.4069 -85.4079 16.9441 35.7809 34.4069 35.7808 -17.8322 GPRESSAVG: 4785000 34.1732 -84.3842 34.7465 -86.8536 15.9655 34.2954 35.9547 39.2585 -16.3999 TIMING: 4785000 CPU: 15131.6, 0.00319093/step Wall: 15131.6, 0.00319093/step, 0.190569 hours remaining, 236.542969 MB of memory in use. ENERGY: 4785000 3933.9577 20336.5245 14405.1323 257.4050 -202848.4685 2342.6265 0.0000 0.0000 52032.9704 -109539.8522 299.0342 -161572.8225 -109180.0581 298.6733 -86.9501 -62.7597 762637.6696 11.2528 11.2463 PRESSURE: 4785200 -150.316 82.214 -80.2762 82.2139 -147.479 -12.2883 -80.2753 -12.2875 197.143 GPRESSURE: 4785200 -160.746 106.282 -107.884 35.8093 -54.5368 14.8276 79.2769 -77.5955 212.892 PRESSAVG: 4785200 -44.3659 -41.6603 36.5337 -41.6603 43.6547 70.0699 36.5337 70.07 -17.6693 GPRESSAVG: 4785200 -43.0915 -39.7305 35.6687 -41.5565 43.281 71.3168 38.4687 66.517 -18.6759 TIMING: 4785200 CPU: 15132.3, 0.00318488/step Wall: 15132.3, 0.00318488/step, 0.190031 hours remaining, 236.542969 MB of memory in use. ENERGY: 4785200 3960.6642 20473.6620 14451.5586 268.9963 -203290.1411 2495.8155 0.0000 0.0000 52053.4486 -109585.9959 299.1519 -161639.4445 -109224.2059 298.4620 -33.5511 -0.7969 761560.0292 -6.1268 -6.1621 PRESSURE: 4785400 154.946 -3.13365 187.618 -3.13373 186.031 26.4146 187.618 26.4155 92.0231 GPRESSURE: 4785400 186.402 -50.0706 218.901 -79.0186 293.391 -52.7487 163.677 13.5377 49.4342 PRESSAVG: 4785400 -60.4014 -8.81347 34.1255 -8.81348 108.595 -25.7165 34.1255 -25.7164 -16.6444 GPRESSAVG: 4785400 -61.3671 -11.8895 34.1772 -7.67803 108.773 -24.9577 33.1603 -23.8444 -15.9468 TIMING: 4785400 CPU: 15132.9, 0.00318549/step Wall: 15132.9, 0.00318549/step, 0.189891 hours remaining, 236.542969 MB of memory in use. ENERGY: 4785400 3998.0930 20393.3374 14519.6611 264.5170 -203104.3892 2315.0556 0.0000 0.0000 52072.2360 -109541.4891 299.2599 -161613.7251 -109187.9621 298.4330 144.3333 176.4091 763128.2426 10.5163 10.4865 PRESSURE: 4785600 285.165 -7.87685 -326.012 -7.87679 81.6517 122.202 -326.012 122.202 -158.449 GPRESSURE: 4785600 398.138 29.1345 -320.045 -50.518 29.6276 78.7298 -312.434 160.781 -137.06 PRESSAVG: 4785600 4.56751 -50.5283 39.307 -50.5284 24.2494 -55.4921 39.307 -55.4921 22.5985 GPRESSAVG: 4785600 3.21229 -47.2004 40.5881 -51.1163 25.7714 -55.3294 37.4862 -55.8261 22.6066 TIMING: 4785600 CPU: 15133.5, 0.00318576/step Wall: 15133.5, 0.00318576/step, 0.18973 hours remaining, 236.542969 MB of memory in use. ENERGY: 4785600 3896.0902 20521.4510 14553.7467 242.3465 -203561.5364 2892.6335 0.0000 0.0000 51882.0685 -109573.2000 298.1670 -161455.2685 -109210.4219 299.0358 69.4560 96.9016 761765.3846 17.1385 17.1967 PRESSURE: 4785800 -376.264 -181.552 -176.457 -181.551 -67.4478 -103.023 -176.456 -103.023 -34.6127 GPRESSURE: 4785800 -312.784 -192.894 -165.867 -173.189 -50.6362 -66.05 -222.008 -152.517 -37.1371 PRESSAVG: 4785800 6.5931 -40.9233 8.54263 -40.9234 -32.5933 5.12636 8.54264 5.12633 -4.1276 GPRESSAVG: 4785800 8.36626 -43.1066 7.67986 -39.6797 -33.9407 3.15279 11.3723 3.3199 -4.53091 TIMING: 4785800 CPU: 15134.2, 0.00318893/step Wall: 15134.2, 0.00318893/step, 0.189741 hours remaining, 236.542969 MB of memory in use. ENERGY: 4785800 4050.6954 20509.3553 14488.1655 263.0829 -203446.1456 2605.8299 0.0000 0.0000 51728.0694 -109800.9472 297.2819 -161529.0167 -109443.5589 298.5691 -159.4413 -133.5192 761471.7123 -10.0426 -10.0351 PRESSURE: 4786000 346.831 -73.4378 109.307 -73.438 66.9017 145.367 109.307 145.367 -51.9844 GPRESSURE: 4786000 413.599 2.42378 158.844 44.8911 118.183 169.523 -34.3297 154.394 -87.4406 PRESSAVG: 4786000 1.7229 2.51116 -15.2748 2.51117 -55.477 33.6619 -15.2747 33.6618 -1.28598 GPRESSAVG: 4786000 2.38464 2.80783 -14.5394 3.70793 -55.813 35.0058 -16.3925 35.4835 -1.56546 TIMING: 4786000 CPU: 15134.8, 0.00321594/step Wall: 15134.8, 0.00321594/step, 0.19117 hours remaining, 236.554688 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: 4786000 4023.1643 20500.2492 14490.6561 237.7394 -203527.5047 2695.7732 0.0000 0.0000 51919.7203 -109660.2021 298.3833 -161579.9225 -109310.2401 298.3635 120.5828 148.1137 762773.2086 -18.3467 -18.3313 PRESSURE: 4786200 -112.166 208.773 84.6652 208.773 -155.505 54.8401 84.6653 54.8402 -346.998 GPRESSURE: 4786200 39.6664 154.328 31.875 93.2761 -191.249 43.9203 31.5567 -32.6267 -359.025 PRESSAVG: 4786200 -30.1786 -11.4199 37.9415 -11.4199 -6.59294 -52.0313 37.9415 -52.0313 -16.356 GPRESSAVG: 4786200 -31.6023 -10.7771 36.7747 -13.8709 -4.99519 -52.3764 36.6814 -53.1493 -16.6581 TIMING: 4786200 CPU: 15135.4, 0.00317557/step Wall: 15135.4, 0.00317557/step, 0.188593 hours remaining, 236.554688 MB of memory in use. ENERGY: 4786200 4004.7039 20384.3332 14505.0947 233.8419 -203177.3758 2489.3868 0.0000 0.0000 51813.3963 -109746.6190 297.7723 -161560.0153 -109390.4572 298.4696 -204.8895 -170.2025 762284.2493 -17.7092 -17.7519 PRESSURE: 4786400 -11.0912 50.672 215.707 50.6729 -230.988 26.2718 215.707 26.2709 -237.713 GPRESSURE: 4786400 -37.1714 126.861 199.21 18.9861 -134.068 -62.4933 253.184 21.9155 -223.923 PRESSAVG: 4786400 57.3348 4.97667 -14.1005 4.97675 -22.3539 -32.5111 -14.1005 -32.5111 23.1215 GPRESSAVG: 4786400 57.9891 5.18108 -12.1732 7.11072 -23.0191 -34.0794 -14.2588 -31.7313 23.151 TIMING: 4786400 CPU: 15136.1, 0.00317612/step Wall: 15136.1, 0.00317612/step, 0.18845 hours remaining, 236.554688 MB of memory in use. ENERGY: 4786400 3987.0452 20604.1206 14514.7466 247.0456 -203185.6433 2585.7275 0.0000 0.0000 51616.6305 -109630.3273 296.6415 -161246.9579 -109270.4752 298.1434 -159.9306 -131.7208 763177.5598 19.3675 19.3737 PRESSURE: 4786600 -141.59 -8.51397 -76.0679 -8.51399 167.394 1.16497 -76.0683 1.16433 34.1069 GPRESSURE: 4786600 -117.927 -65.5214 -13.9105 18.8337 178.453 -3.51143 -109.173 37.7006 90.1306 PRESSAVG: 4786600 -10.9432 16.2002 41.6529 16.2003 16.6705 -65.9851 41.6529 -65.9851 7.39905 GPRESSAVG: 4786600 -10.8034 14.7864 39.311 17.3999 18.1986 -64.7756 42.3458 -66.5435 6.0946 TIMING: 4786600 CPU: 15136.7, 0.00317259/step Wall: 15136.7, 0.00317259/step, 0.188064 hours remaining, 236.554688 MB of memory in use. ENERGY: 4786600 4003.2800 20436.3065 14487.7787 249.9530 -203113.9703 2488.8797 0.0000 0.0000 52124.7957 -109322.9767 299.5619 -161447.7724 -108962.7830 298.4177 19.9704 50.2189 762532.8305 4.3754 4.4966 PRESSURE: 4786800 63.4475 -88.3908 195.753 -88.3909 271.294 100.732 195.754 100.733 -102.108 GPRESSURE: 4786800 80.1793 -6.52384 188.909 -75.9625 317.159 165.903 142.522 89.6236 -105.685 PRESSAVG: 4786800 -6.75521 3.63853 12.1755 3.63847 -30.9121 -35.6092 12.1756 -35.6092 -3.94567 GPRESSAVG: 4786800 -6.88867 5.59319 12.3128 1.16784 -32.0891 -35.0801 11.7494 -36.9606 -3.00233 TIMING: 4786800 CPU: 15137.3, 0.00317877/step Wall: 15137.3, 0.00317877/step, 0.188254 hours remaining, 236.554688 MB of memory in use. ENERGY: 4786800 4004.2245 20573.8983 14537.2064 255.4669 -203147.5336 2560.9304 0.0000 0.0000 51937.7159 -109278.0912 298.4868 -161215.8071 -108923.8213 299.1135 77.5444 97.2176 760975.4540 -13.8710 -13.9934 PRESSURE: 4787000 74.0811 96.3835 24.6392 96.3836 95.8732 -11.256 24.6383 -11.2568 -136.421 GPRESSURE: 4787000 59.2088 57.2976 77.5383 102.208 142.536 72.0494 52.0885 -56.1612 -81.3437 PRESSAVG: 4787000 16.187 -14.2141 62.4216 -14.2141 34.0971 -35.7595 62.4215 -35.7595 21.4422 GPRESSAVG: 4787000 15.0561 -17.0749 62.3936 -12.2734 35.0409 -36.6199 62.389 -34.6091 22.0826 TIMING: 4787000 CPU: 15138, 0.00318474/step Wall: 15138, 0.00318474/step, 0.188431 hours remaining, 236.554688 MB of memory in use. ENERGY: 4787000 4008.8055 20280.3351 14516.8852 257.3832 -203759.4717 2859.2865 0.0000 0.0000 52019.8853 -109816.8910 298.9590 -161836.7763 -109456.5781 298.8159 11.1779 40.1337 761104.8155 23.9087 24.0599 PRESSURE: 4787200 3.64598 -135.999 -58.425 -135.998 -68.1704 48.2458 -58.4263 48.2464 257.978 GPRESSURE: 4787200 23.0035 3.88212 -169.283 -263.853 -7.73749 -32.8719 -58.7718 130.86 289.938 PRESSAVG: 4787200 -24.8354 16.6305 46.7727 16.6305 35.5272 -0.234993 46.7727 -0.235043 4.25384 GPRESSAVG: 4787200 -24.2343 18.0772 46.6143 15.6516 36.2264 0.52194 48.962 -1.01725 2.91264 TIMING: 4787200 CPU: 15138.6, 0.0031814/step Wall: 15138.6, 0.0031814/step, 0.188056 hours remaining, 236.554688 MB of memory in use. ENERGY: 4787200 3973.6428 20535.4165 14460.9122 230.5122 -203725.0819 2572.7784 0.0000 0.0000 51949.9538 -110001.8661 298.5571 -161951.8199 -109647.5506 298.1604 64.4844 101.7346 760937.3646 4.9819 4.9683 PRESSURE: 4787400 -196.039 -40.5535 -41.6811 -40.5537 -423.648 -181.27 -41.6824 -181.269 -36.8023 GPRESSURE: 4787400 -161.678 7.30479 42.1397 -24.7606 -335.986 -61.3663 -106.064 -200.637 -87.0577 PRESSAVG: 4787400 -31.6767 -18.3568 58.2607 -18.3567 46.8656 17.896 58.2607 17.8959 14.6798 GPRESSAVG: 4787400 -30.6964 -17.6753 59.0139 -17.6766 45.614 18.5107 56.5785 16.7752 15.0401 TIMING: 4787400 CPU: 15139.3, 0.00316856/step Wall: 15139.3, 0.00316856/step, 0.187121 hours remaining, 236.554688 MB of memory in use. ENERGY: 4787400 3932.5968 20539.8545 14510.7417 241.0880 -203717.2924 2713.0419 0.0000 0.0000 51740.9209 -110039.0485 297.3558 -161779.9694 -109674.8923 298.0523 -218.8299 -194.9071 762464.3722 9.9562 9.9859 PRESSURE: 4787600 174.298 119.121 170.058 119.121 154.469 117.728 170.058 117.727 -58.9747 GPRESSURE: 4787600 254.918 92.7273 162.816 92.2422 203.856 33.1122 166.478 40.7633 -102.293 PRESSAVG: 4787600 6.93141 23.5804 21.3815 23.5804 9.69194 0.528182 21.3815 0.528213 9.55231 GPRESSAVG: 4787600 6.19116 23.5249 22.1648 21.4952 8.51369 -0.481491 20.6649 2.42009 10.788 TIMING: 4787600 CPU: 15139.9, 0.00318441/step Wall: 15139.9, 0.00318441/step, 0.18788 hours remaining, 236.554688 MB of memory in use. ENERGY: 4787600 3983.4493 20373.5736 14527.9183 242.9922 -203529.7661 2683.5406 0.0000 0.0000 51768.2328 -109950.0594 297.5127 -161718.2922 -109589.6801 297.7808 89.9311 118.8271 759670.1583 8.7252 8.4976 PRESSURE: 4787800 127.584 176.905 479.571 176.905 -25.3342 -11.0344 479.572 -11.0343 -6.09394 GPRESSURE: 4787800 149.498 134.923 439.167 140.68 50.7544 -78.1725 449.273 29.458 -20.9795 PRESSAVG: 4787800 -3.89163 15.2028 23.9725 15.2029 66.7312 -64.1661 23.9725 -64.1662 4.05218 GPRESSAVG: 4787800 -3.52645 15.0757 22.8726 16.1022 67.0134 -64.9657 24.1561 -66.2924 3.46603 TIMING: 4787800 CPU: 15140.5, 0.00319338/step Wall: 15140.5, 0.00319338/step, 0.188232 hours remaining, 236.554688 MB of memory in use. ENERGY: 4787800 3990.0291 20489.8560 14519.1318 252.3810 -203907.8493 2740.9415 0.0000 0.0000 52160.8936 -109754.6163 299.7694 -161915.5099 -109394.5342 298.3832 32.0520 59.7577 759545.9000 22.2972 22.3177 PRESSURE: 4788000 186.168 217.247 -68.2762 217.247 203.558 53.656 -68.2756 53.6561 -231.337 GPRESSURE: 4788000 156.258 207.606 -144.084 260.56 235.645 36.7891 -84.2311 15.1774 -146.773 PRESSAVG: 4788000 4.8344 74.5108 5.19165 74.5108 -1.96443 40.8064 5.19157 40.8064 0.658229 GPRESSAVG: 4788000 3.35661 74.8827 4.28725 75.2925 -2.0434 41.8954 5.83327 42.4285 1.34837 TIMING: 4788000 CPU: 15141.2, 0.0032217/step Wall: 15141.2, 0.0032217/step, 0.189723 hours remaining, 236.554688 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: 4788000 4017.6540 20462.9490 14515.0114 245.8387 -203408.1822 2425.0330 0.0000 0.0000 52128.5475 -109613.1487 299.5835 -161741.6962 -109258.3305 298.6784 52.7961 81.7099 759551.5862 1.1761 0.8872 PRESSURE: 4788200 -142.69 -126.62 16.7085 -126.62 45.7375 -60.3432 16.7097 -60.3439 -512.569 GPRESSURE: 4788200 -78.4893 -170.355 -20.9198 -226.997 53.7444 -85.9143 26.1286 -15.7797 -476.5 PRESSAVG: 4788200 -25.2718 43.9368 -7.15824 43.9368 37.5439 19.3743 -7.15818 19.3743 12.8944 GPRESSAVG: 4788200 -24.5769 42.3478 -6.15728 44.2416 37.1629 19.327 -8.60156 19.883 12.9512 TIMING: 4788200 CPU: 15141.8, 0.00319616/step Wall: 15141.8, 0.00319615/step, 0.18804 hours remaining, 236.554688 MB of memory in use. ENERGY: 4788200 4035.9711 20425.6949 14494.9450 251.8757 -203108.2209 2595.2106 0.0000 0.0000 51697.4662 -109607.0575 297.1060 -161304.5236 -109251.9878 298.8825 -203.1737 -167.0818 761747.3820 8.3888 8.5124 LDB: ============= START OF LOAD BALANCING ============== 15154.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15154.4 LDB: =============== DONE WITH MIGRATION ================ 15154.4 LDB: ============= START OF LOAD BALANCING ============== 15154.7 LDB: Largest compute 7026 load 0.037177 is 19.0% of average load 0.195626 LDB: Average compute 0.004392 is 2.2% of average load 0.195626 LDB: TIME 15154.7 LOAD: AVG 0.195626 MAX 0.222336 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 15154.7 LOAD: AVG 0.195626 MAX 0.222336 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 15154.7 LOAD: AVG 0.195626 MAX 0.2174 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 15154.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15154.7 PRESSURE: 4788400 259.916 45.4205 89.893 45.4209 99.9134 -288.285 89.8926 -288.285 -102.559 GPRESSURE: 4788400 221.629 156.631 31.2155 167.627 206.312 -211.035 38.6076 -349.594 -88.6647 PRESSAVG: 4788400 -2.38479 -22.982 20.3662 -22.9821 8.35219 -58.5296 20.3662 -58.5297 0.534037 GPRESSAVG: 4788400 -2.29147 -22.2227 19.9813 -23.9225 9.11378 -59.4259 20.9683 -57.3891 -0.726251 TIMING: 4788400 CPU: 15142.5, 0.00326165/step Wall: 15142.5, 0.00326165/step, 0.191713 hours remaining, 235.652344 MB of memory in use. ENERGY: 4788400 3975.0811 20507.6866 14495.9944 253.4032 -203014.1574 2481.6802 0.0000 0.0000 51630.4505 -109669.8614 296.7209 -161300.3119 -109318.3572 298.3686 85.7568 113.0919 760819.4602 2.1671 2.0320 PRESSURE: 4788600 -128.614 47.6802 -170.586 47.6797 -130.457 -66.3556 -170.587 -66.3556 -416.742 GPRESSURE: 4788600 -99.9343 125.015 -134.281 -77.1646 -47.9433 -60.7384 -200.333 -76.1385 -448.542 PRESSAVG: 4788600 -34.0511 -9.97203 -3.18981 -9.97197 43.4269 -37.8034 -3.18978 -37.8034 8.33076 GPRESSAVG: 4788600 -34.6946 -9.12843 -0.911371 -9.52112 44.1407 -35.4491 -1.72544 -40.8137 8.97669 TIMING: 4788600 CPU: 15143.1, 0.00318175/step Wall: 15143.1, 0.00318175/step, 0.186839 hours remaining, 235.652344 MB of memory in use. ENERGY: 4788600 4103.7347 20618.9702 14468.8864 248.6227 -203501.7381 2613.8422 0.0000 0.0000 51999.8416 -109447.8404 298.8438 -161447.6819 -109099.6535 298.4197 -225.2709 -198.8065 760861.5741 5.9022 6.1409 PRESSURE: 4788800 58.2535 35.1838 -166.541 35.1835 -68.2607 143.102 -166.542 143.101 -481.919 GPRESSURE: 4788800 132.605 78.5915 -136.053 -94.3176 -47.2836 116.547 -112.753 79.196 -489.553 PRESSAVG: 4788800 -30.9865 35.5378 -33.7142 35.5379 68.2516 1.82236 -33.7143 1.82235 -17.2079 GPRESSAVG: 4788800 -30.1725 34.6244 -36.9381 34.6708 67.6797 -1.59628 -33.6964 6.46117 -17.6272 TIMING: 4788800 CPU: 15143.7, 0.00317953/step Wall: 15143.7, 0.00317953/step, 0.186532 hours remaining, 235.652344 MB of memory in use. ENERGY: 4788800 4142.9769 20511.0204 14513.1314 247.8097 -203285.2163 2492.4047 0.0000 0.0000 51911.8087 -109466.0645 298.3379 -161377.8732 -109115.1938 299.3482 -163.9754 -134.7437 760019.5230 6.6857 6.6267 PRESSURE: 4789000 -46.723 -57.6921 -18.7599 -57.6924 -257.21 179.854 -18.7599 179.854 -110.198 GPRESSURE: 4789000 -4.11473 -11.1933 -14.2083 -34.0294 -191.608 206.298 -143.049 269.485 -122.448 PRESSAVG: 4789000 4.23024 44.7092 4.54889 44.7091 27.8648 -1.92922 4.54889 -1.9293 -10.5439 GPRESSAVG: 4789000 4.68254 44.9123 6.16628 44.6107 27.2622 -1.99586 2.84612 -5.28382 -9.87091 TIMING: 4789000 CPU: 15144.4, 0.00320045/step Wall: 15144.4, 0.00320045/step, 0.187582 hours remaining, 235.652344 MB of memory in use. ENERGY: 4789000 4101.7338 20542.1041 14468.9258 250.2355 -203510.0886 2336.8050 0.0000 0.0000 52244.6913 -109565.5931 300.2510 -161810.2844 -109195.5188 298.2486 -138.0438 -106.0570 760399.1865 7.1837 7.3579 PRESSURE: 4789200 -410 23.8109 -210.067 23.8111 -383.325 6.15752 -210.067 6.158 -94.7068 GPRESSURE: 4789200 -379.95 27.3731 -176.976 126.978 -306.177 -86.2327 -302.525 73.18 -119.412 PRESSAVG: 4789200 25.4331 -9.96862 -0.431269 -9.96856 4.85526 -39.2021 -0.431313 -39.2021 13.4126 GPRESSAVG: 4789200 24.8802 -9.51506 -1.15252 -7.79597 6.1014 -38.5652 1.09397 -39.0702 12.3467 TIMING: 4789200 CPU: 15145, 0.00318264/step Wall: 15145, 0.00318264/step, 0.186361 hours remaining, 235.652344 MB of memory in use. ENERGY: 4789200 4110.1782 20515.1905 14482.9113 259.6902 -203004.7728 2367.4948 0.0000 0.0000 51921.9563 -109347.3515 298.3962 -161269.3078 -108982.3510 299.2279 -296.0105 -268.5131 761292.2797 14.5670 14.4428 PRESSURE: 4789400 -72.3529 283.764 76.0957 283.764 145.778 58.6793 76.0948 58.6801 -300.386 GPRESSURE: 4789400 24.4378 336.237 14.9165 234.722 94.2978 31.9348 -69.9752 -28.3848 -258.637 PRESSAVG: 4789400 2.2142 84.4593 -52.5501 84.4593 6.73723 33.008 -52.5501 33.0081 -8.95323 GPRESSAVG: 4789400 1.60825 84.331 -52.7982 82.6743 6.05015 34.4669 -56.0245 34.291 -8.20656 TIMING: 4789400 CPU: 15145.7, 0.00318096/step Wall: 15145.7, 0.00318096/step, 0.186086 hours remaining, 235.652344 MB of memory in use. ENERGY: 4789400 3999.6640 20589.4443 14472.8093 245.3354 -203067.9794 2356.0084 0.0000 0.0000 52065.4911 -109339.2269 299.2211 -161404.7180 -108981.4155 299.4615 -75.6536 -46.6337 760378.0334 -0.0006 -0.1827 PRESSURE: 4789600 -17.2637 -243.222 -331.454 -243.221 -162.248 45.623 -331.454 45.6228 -144.007 GPRESSURE: 4789600 -21.3021 -223.916 -253.594 -80.439 -145.637 71.6971 -200.929 14.6657 -76.9071 PRESSAVG: 4789600 -19.1355 32.209 -34.1137 32.209 -16.3106 -12.8297 -34.1137 -12.8297 -1.63746 GPRESSAVG: 4789600 -19.2947 29.9145 -32.7346 31.7315 -16.3291 -14.4554 -31.55 -13.4815 -1.07554 TIMING: 4789600 CPU: 15146.3, 0.00317705/step Wall: 15146.3, 0.00317705/step, 0.185681 hours remaining, 235.652344 MB of memory in use. ENERGY: 4789600 4032.4290 20459.6338 14430.6917 247.6910 -202939.7226 2212.9809 0.0000 0.0000 51931.4923 -109624.8040 298.4510 -161556.2963 -109271.0510 298.7896 -107.8398 -81.2821 761950.9633 -12.3612 -12.2331 PRESSURE: 4789800 -112.839 -177.608 4.55276 -177.608 -58.5121 -92.9317 4.55183 -92.9327 61.1309 GPRESSURE: 4789800 -44.0803 -93.4816 7.13877 -136.521 -91.0875 -73.1949 59.2754 69.3974 96.3518 PRESSAVG: 4789800 -12.1067 -19.6859 -6.52369 -19.6859 17.8974 -29.4709 -6.5237 -29.4709 26.8174 GPRESSAVG: 4789800 -12.619 -17.4382 -5.42025 -17.876 18.2236 -28.3184 -7.95747 -28.8261 26.8148 TIMING: 4789800 CPU: 15146.9, 0.00320752/step Wall: 15146.9, 0.00320752/step, 0.187284 hours remaining, 235.652344 MB of memory in use. ENERGY: 4789800 3982.1668 20415.7428 14446.1087 241.4922 -203182.0810 2479.1087 0.0000 0.0000 51958.8412 -109658.6206 298.6082 -161617.4618 -109295.5614 298.8037 -36.7401 -12.9387 760959.1173 10.8694 10.8065 PRESSURE: 4790000 -133.824 47.1226 -320.573 47.1228 29.1436 -106.063 -320.572 -106.063 -16.9985 GPRESSURE: 4790000 -121.416 -16.0467 -316.357 11.8118 126.853 -94.0682 -410.502 -155.196 -12.6673 PRESSAVG: 4790000 4.37698 59.227 -65.9149 59.227 -3.56183 1.71388 -65.9149 1.7138 11.0221 GPRESSAVG: 4790000 5.4091 59.5269 -66.7574 58.446 -3.94168 1.41015 -64.2425 1.37227 10.3704 TIMING: 4790000 CPU: 15147.6, 0.00319454/step Wall: 15147.6, 0.00319454/step, 0.186348 hours remaining, 235.652344 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: 4790000 3989.7155 20481.5484 14504.5622 260.3211 -203388.3751 2454.1357 0.0000 0.0000 52134.1292 -109563.9630 299.6156 -161698.0922 -109196.2340 299.0846 -40.5596 -2.4102 760276.3688 3.9458 3.9460 PRESSURE: 4790200 -161.834 -186.238 -45.1215 -186.238 143.935 20.5302 -45.1218 20.5299 402.093 GPRESSURE: 4790200 -44.8224 -261.308 74.4645 -202.077 100.643 -35.4843 -7.92439 40.1793 415.835 PRESSAVG: 4790200 -55.9927 -5.80734 -43.6345 -5.80734 56.2346 -5.44598 -43.6345 -5.44598 1.18752 GPRESSAVG: 4790200 -56.594 -6.94453 -43.4168 -7.48597 56.7562 -5.09801 -43.6124 -5.81461 1.76618 TIMING: 4790200 CPU: 15148.2, 0.00319455/step Wall: 15148.2, 0.00319455/step, 0.186171 hours remaining, 235.652344 MB of memory in use. ENERGY: 4790200 3991.8640 20376.8636 14433.9963 246.9940 -203393.8420 2691.9341 0.0000 0.0000 52116.3488 -109535.8413 299.5134 -161652.1900 -109161.5209 299.0539 128.0646 157.2185 760298.6775 0.4765 0.6428 PRESSURE: 4790400 109.426 -50.6402 166.125 -50.6403 195.466 -145.682 166.126 -145.681 192.851 GPRESSURE: 4790400 141.868 -112.599 148.605 108.708 240.226 -64.5046 181.262 -121.988 205.211 PRESSAVG: 4790400 -31.7078 -49.5033 -23.566 -49.5034 25.7398 77.0994 -23.566 77.0994 8.22329 GPRESSAVG: 4790400 -31.8855 -48.4953 -24.5975 -48.3679 25.432 75.7036 -24.7987 77.2269 8.60923 TIMING: 4790400 CPU: 15148.8, 0.00320053/step Wall: 15148.8, 0.00320053/step, 0.186342 hours remaining, 235.652344 MB of memory in use. ENERGY: 4790400 4024.6245 20468.9417 14510.7888 238.1841 -203508.0152 2721.3937 0.0000 0.0000 52243.7064 -109300.3758 300.2453 -161544.0822 -108941.2509 299.2138 165.9141 195.7684 759735.6752 0.7518 0.7186 PRESSURE: 4790600 429.213 -196.517 117.958 -196.518 151.794 47.2214 117.958 47.221 158.104 GPRESSURE: 4790600 357.869 -218.954 146.003 -144.271 227.849 25.8944 87.9266 21.5797 229.091 PRESSAVG: 4790600 -15.8084 15.9279 41.3191 15.9279 59.099 3.77235 41.3191 3.77229 -2.1954 GPRESSAVG: 4790600 -13.8611 15.6602 41.3687 17.6635 57.8509 4.57117 43.6159 4.58678 -2.6865 TIMING: 4790600 CPU: 15149.5, 0.00320374/step Wall: 15149.5, 0.00320374/step, 0.186351 hours remaining, 235.652344 MB of memory in use. ENERGY: 4790600 3980.1801 20593.4679 14539.3361 253.8539 -203523.6544 2799.5831 0.0000 0.0000 52147.9899 -109209.2432 299.6952 -161357.2332 -108853.2579 299.8865 246.3702 271.6032 759259.5098 13.6984 13.7678 PRESSURE: 4790800 -124.607 127.327 -130.948 127.327 127.327 296.639 -130.947 296.639 -145.689 GPRESSURE: 4790800 -50.6746 55.5366 -167.907 -22.2011 157.71 185.06 -111.314 258.146 -164.908 PRESSAVG: 4790800 14.5454 0.479182 -3.17227 0.479187 -4.1766 24.7019 -3.17228 24.7019 -21.3227 GPRESSAVG: 4790800 12.8747 -0.521309 -2.47795 -0.849696 -1.7295 24.9363 -3.37926 23.5572 -22.3616 TIMING: 4790800 CPU: 15150.1, 0.00318554/step Wall: 15150.1, 0.00318554/step, 0.185115 hours remaining, 235.652344 MB of memory in use. ENERGY: 4790800 4053.0254 20429.7738 14438.7128 232.5679 -203146.4029 2423.6764 0.0000 0.0000 52288.9469 -109279.6998 300.5053 -161568.6466 -108916.6742 299.9575 -47.6566 -19.2908 760393.9751 -3.6513 -3.7388 PRESSURE: 4791000 33.7512 4.61967 -333.262 4.62001 144.63 70.2542 -333.262 70.2548 158.981 GPRESSURE: 4791000 94.0547 66.4634 -254.918 38.2931 173.828 121.227 -321.332 -36.4701 139.156 PRESSAVG: 4791000 30.0578 46.6909 28.9582 46.6909 15.6143 9.44937 28.9582 9.44933 -12.7621 GPRESSAVG: 4791000 30.3195 47.3734 28.7934 47.3409 14.3791 9.42108 28.5668 9.15943 -11.5217 TIMING: 4791000 CPU: 15150.8, 0.00321332/step Wall: 15150.8, 0.00321332/step, 0.186551 hours remaining, 235.652344 MB of memory in use. ENERGY: 4791000 4024.5379 20654.9685 14507.2136 254.3667 -203260.7915 2458.4425 0.0000 0.0000 51919.5974 -109441.6649 298.3826 -161361.2623 -109091.5554 299.5206 112.4542 135.6795 760204.5195 10.9700 11.0590 PRESSURE: 4791200 -36.6471 148.653 84.0612 148.653 19.0246 -61.773 84.0608 -61.7725 115.452 GPRESSURE: 4791200 -37.1457 33.5331 45.5073 119.035 138.834 -10.1012 -24.0322 -40.7262 78.4254 PRESSAVG: 4791200 5.94908 11.1174 -10.8177 11.1175 -31.263 19.7067 -10.8177 19.7067 24.1562 GPRESSAVG: 4791200 6.725 8.93423 -10.1965 12.0765 -30.3084 19.71 -11.9219 21.2438 22.6612 TIMING: 4791200 CPU: 15151.4, 0.00320778/step Wall: 15151.4, 0.00320778/step, 0.186051 hours remaining, 235.652344 MB of memory in use. ENERGY: 4791200 3891.1945 20532.5276 14556.4179 228.7925 -203303.1378 2555.3763 0.0000 0.0000 52034.6393 -109504.1897 299.0438 -161538.8289 -109131.2882 299.1742 32.6100 60.0380 761897.0447 -0.3859 -0.3074 PRESSURE: 4791400 -107.105 111.854 -158.499 111.855 120.481 1.62288 -158.499 1.62307 397.287 GPRESSURE: 4791400 15.3806 99.1327 -195.786 74.0076 128.192 18.5814 -88.617 -22.6779 375.053 PRESSAVG: 4791400 -50.3481 8.69557 -63.5475 8.69553 74.4916 2.53448 -63.5475 2.53448 -24.7075 GPRESSAVG: 4791400 -50.1019 12.1084 -64.8224 7.3276 72.3635 4.52483 -61.3701 1.34785 -22.9638 TIMING: 4791400 CPU: 15152.1, 0.00320633/step Wall: 15152.1, 0.00320633/step, 0.185789 hours remaining, 235.652344 MB of memory in use. ENERGY: 4791400 3945.9561 20520.4268 14481.8460 221.7537 -203535.8779 2885.7691 0.0000 0.0000 51914.8897 -109565.2365 298.3556 -161480.1262 -109197.4169 299.1062 136.8875 172.8750 760744.2437 -0.1880 -0.2341 PRESSURE: 4791600 -381.654 47.8735 -151.91 47.8734 -252.482 304.6 -151.91 304.601 -26.6784 GPRESSURE: 4791600 -391.623 91.692 -177.346 -55.4891 -245.976 264.124 -44.9158 172.46 55.7042 PRESSAVG: 4791600 -68.9912 -20.2084 -62.2136 -20.2084 67.2686 79.7489 -62.2136 79.7489 1.8998 GPRESSAVG: 4791600 -70.0519 -22.6967 -61.9306 -21.415 68.5372 78.4342 -61.8227 78.0206 1.52505 TIMING: 4791600 CPU: 15152.7, 0.00320121/step Wall: 15152.7, 0.00320121/step, 0.185314 hours remaining, 235.652344 MB of memory in use. ENERGY: 4791600 3949.9936 20566.0824 14491.2218 252.0300 -203254.6494 2524.5977 0.0000 0.0000 51992.1306 -109478.5934 298.7995 -161470.7240 -109099.8560 299.0213 -220.2716 -193.9649 761705.7101 0.0591 0.0035 PRESSURE: 4791800 -157.223 11.2817 -175.336 11.2815 10.7 295.441 -175.337 295.44 -65.1079 GPRESSURE: 4791800 -57.4971 25.2786 -111.952 -12.0042 32.009 267.762 -130.806 222.19 -79.8543 PRESSAVG: 4791800 20.9109 -63.2181 -26.6111 -63.2181 -23.3187 9.59121 -26.611 9.59114 8.1566 GPRESSAVG: 4791800 20.9886 -61.8951 -26.2909 -62.1112 -23.5143 7.44599 -27.8207 11.0154 8.27905 TIMING: 4791800 CPU: 15153.3, 0.00320174/step Wall: 15153.3, 0.00320174/step, 0.185167 hours remaining, 235.652344 MB of memory in use. ENERGY: 4791800 3996.5110 20467.4144 14472.4446 236.6199 -203199.1330 2503.5978 0.0000 0.0000 52069.4701 -109453.0753 299.2440 -161522.5454 -109104.8147 298.9825 -70.5436 -35.1141 760266.3143 1.9163 1.9178 PRESSURE: 4792000 -54.8361 16.0288 -109.187 16.029 38.3555 -192.387 -109.188 -192.388 -221.747 GPRESSURE: 4792000 2.58776 -71.6818 -85.85 -31.3314 37.2641 -158.964 -61.081 -245.659 -208.065 PRESSAVG: 4792000 13.4033 27.2093 -6.40425 27.2093 -6.52102 3.89437 -6.40424 3.89438 -5.44222 GPRESSAVG: 4792000 13.117 26.3935 -6.75654 25.7994 -6.97835 6.17145 -5.02772 5.45926 -5.07037 TIMING: 4792000 CPU: 15154, 0.00319881/step Wall: 15154, 0.00319881/step, 0.18482 hours remaining, 235.652344 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: 4792000 3987.4861 20552.4940 14548.0522 254.5708 -203376.3621 2459.2650 0.0000 0.0000 52280.9143 -109293.5797 300.4591 -161574.4940 -108929.7007 299.3989 -79.4092 -56.0712 761515.3940 0.4800 0.3561 PRESSURE: 4792200 181.335 -59.908 166.669 -59.9074 151.832 -83.0159 166.668 -83.0156 -134.9 GPRESSURE: 4792200 211.394 -129.612 201.577 -133.884 116.969 -122.989 130.521 -76.9438 -63.6373 PRESSAVG: 4792200 44.4729 -44.6677 11.0679 -44.6678 -65.7309 -23.9494 11.0679 -23.9494 -1.47932 GPRESSAVG: 4792200 44.9249 -44.2026 10.3693 -43.813 -65.3828 -25.0442 10.0491 -25.2258 -2.07883 TIMING: 4792200 CPU: 15154.6, 0.0032083/step Wall: 15154.6, 0.0032083/step, 0.18519 hours remaining, 235.652344 MB of memory in use. ENERGY: 4792200 4034.3643 20668.5969 14462.5807 259.3808 -203534.2605 2587.8446 0.0000 0.0000 52183.4752 -109338.0180 299.8991 -161521.4932 -108976.8737 300.2679 66.0889 88.2419 761470.1836 -7.5791 -7.5122 LDB: ============= START OF LOAD BALANCING ============== 15167.1 LDB: ============== END OF LOAD BALANCING =============== 15167.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15167.1 LDB: ============= START OF LOAD BALANCING ============== 15167.5 LDB: Largest compute 7026 load 0.037668 is 19.3% of average load 0.195647 LDB: Average compute 0.004381 is 2.2% of average load 0.195647 LDB: TIME 15167.5 LOAD: AVG 0.195647 MAX 0.216777 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 239.559 MB LDB: TIME 15167.5 LOAD: AVG 0.195647 MAX 0.216777 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.562 MB LDB: TIME 15167.5 LOAD: AVG 0.195647 MAX 0.216777 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 239.562 MB LDB: ============== END OF LOAD BALANCING =============== 15167.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15167.5 PRESSURE: 4792400 -258.719 62.8358 -15.7357 62.8365 -111.335 184.239 -15.7361 184.24 -20.2009 GPRESSURE: 4792400 -216.46 -54.7509 -12.4887 59.9709 -72.4386 188.723 -58.4626 192.264 -23.4056 PRESSAVG: 4792400 46.9276 -33.6243 -11.7121 -33.6242 -28.1091 3.73448 -11.712 3.73441 -5.20777 GPRESSAVG: 4792400 46.0127 -32.9943 -12.361 -34.276 -28.0123 3.71079 -10.7848 1.54365 -4.80987 TIMING: 4792400 CPU: 15155.3, 0.00324288/step Wall: 15155.3, 0.00324288/step, 0.187006 hours remaining, 236.613281 MB of memory in use. ENERGY: 4792400 4049.5296 20563.0328 14453.2283 239.8843 -202979.7276 2330.5089 0.0000 0.0000 51987.2056 -109356.3382 298.7712 -161343.5438 -108985.0199 300.1475 -130.0850 -104.1015 762636.7686 4.5369 4.3969 PRESSURE: 4792600 79.4083 -20.2935 -161.51 -20.2932 384.472 -103.434 -161.51 -103.432 217.245 GPRESSURE: 4792600 141.064 -6.78774 -142.042 3.3474 459.012 -51.693 -180.079 -111.332 152.297 PRESSAVG: 4792600 14.7166 9.76017 -27.7038 9.76022 29.1402 -22.4114 -27.7038 -22.4114 11.6064 GPRESSAVG: 4792600 15.6474 8.2046 -26.6344 12.6584 29.5669 -21.1882 -29.6943 -18.1292 10.7223 TIMING: 4792600 CPU: 15155.9, 0.00320349/step Wall: 15155.9, 0.00320349/step, 0.184557 hours remaining, 237.074219 MB of memory in use. ENERGY: 4792600 3955.1478 20587.8732 14479.2514 244.2039 -203228.7033 2631.4146 0.0000 0.0000 51866.1479 -109464.6645 298.0755 -161330.8124 -109101.2901 298.8537 227.0418 250.7909 760854.2999 18.4877 18.6456 PRESSURE: 4792800 -121.791 29.4012 63.5926 29.4015 171.946 257.845 63.5933 257.844 141.632 GPRESSURE: 4792800 -94.5367 42.4159 87.8898 147.981 251.088 245.912 127.172 251.761 127.918 PRESSAVG: 4792800 -19.116 -45.9336 22.6016 -45.9335 19.629 -13.5534 22.6016 -13.5535 37.7754 GPRESSAVG: 4792800 -18.9219 -44.4017 23.0149 -48.3931 18.8795 -13.9968 22.4903 -17.3691 38.2756 TIMING: 4792800 CPU: 15156.5, 0.00317723/step Wall: 15156.5, 0.00317723/step, 0.182867 hours remaining, 237.125000 MB of memory in use. ENERGY: 4792800 4025.5843 20544.7400 14507.7430 254.4896 -203354.0930 2672.0969 0.0000 0.0000 52012.7966 -109336.6425 298.9183 -161349.4391 -108971.9636 299.1079 63.9288 94.8229 762114.3179 12.7628 12.7444 PRESSURE: 4793000 -207.176 249.435 141.061 249.435 -131.233 112.673 141.061 112.674 -33.7241 GPRESSURE: 4793000 -154.573 133.573 97.7472 143.437 -73.7827 136.513 40.7406 62.3621 -33.9546 PRESSAVG: 4793000 -31.3767 31.4944 25.1841 31.4945 17.6727 41.6315 25.1841 41.6315 11.4563 GPRESSAVG: 4793000 -31.7249 32.2279 25.4887 30.2968 17.4601 41.9651 25.2772 43.5628 11.3725 TIMING: 4793000 CPU: 15157.2, 0.00319161/step Wall: 15157.2, 0.00319161/step, 0.183518 hours remaining, 237.125000 MB of memory in use. ENERGY: 4793000 3976.0664 20477.2749 14537.4409 242.8163 -203272.8118 2691.4472 0.0000 0.0000 51987.3394 -109360.4267 298.7720 -161347.7660 -109000.7421 299.3361 -124.0443 -87.4366 762763.1806 -0.7492 -0.9641 PRESSURE: 4793200 -28.3305 70.8508 -38.3584 70.8509 -95.0691 -34.1627 -38.3583 -34.1627 -176.504 GPRESSURE: 4793200 36.6974 95.7709 -45.3807 59.2275 -6.49878 -107.541 -13.2624 -154.546 -225.701 PRESSAVG: 4793200 12.8363 29.7236 41.9869 29.7235 28.4839 29.7961 41.9869 29.7961 -12.2903 GPRESSAVG: 4793200 12.7966 26.7967 41.4903 32.2095 29.1112 29.3979 42.1976 28.4519 -12.8605 TIMING: 4793200 CPU: 15157.8, 0.00320399/step Wall: 15157.8, 0.00320399/step, 0.184052 hours remaining, 237.328125 MB of memory in use. ENERGY: 4793200 3974.3477 20401.6654 14474.4184 262.9950 -203362.1921 2737.0798 0.0000 0.0000 52069.3684 -109442.3175 299.2434 -161511.6858 -109076.4859 299.3178 -99.9679 -65.1676 762093.1807 9.6766 9.6824 PRESSURE: 4793400 177.28 50.8634 -233.06 50.8636 -28.4577 69.8707 -233.061 69.87 -78.0875 GPRESSURE: 4793400 291.967 52.8278 -183.872 -11.6207 -23.3421 62.8543 -198.65 5.94251 -92.2571 PRESSAVG: 4793400 41.9883 -33.3674 -45.9844 -33.3675 -40.6896 -23.3877 -45.9845 -23.3877 -20.452 GPRESSAVG: 4793400 42.5066 -31.5288 -46.2539 -32.2492 -42.0537 -22.4772 -44.1665 -24.9718 -19.9354 TIMING: 4793400 CPU: 15158.5, 0.00320461/step Wall: 15158.5, 0.00320461/step, 0.183909 hours remaining, 237.328125 MB of memory in use. ENERGY: 4793400 3954.7779 20536.6052 14444.4489 239.8868 -203444.1150 2720.0139 0.0000 0.0000 51935.1871 -109613.1953 298.4722 -161548.3824 -109248.7497 298.8871 23.5782 58.7894 762516.3844 -6.3845 -6.4942 PRESSURE: 4793600 -318.214 -8.00834 -89.2673 -8.00763 302.006 -143.859 -89.2679 -143.858 90.1259 GPRESSURE: 4793600 -177.368 -7.77033 -112.501 44.977 238.84 -134.699 -49.7176 -207.2 93.1929 PRESSAVG: 4793600 12.7071 14.5287 7.48532 14.5288 9.94714 -39.1472 7.48536 -39.1472 -9.32546 GPRESSAVG: 4793600 12.0171 16.1244 7.10178 13.3034 10.9225 -39.6562 7.48472 -36.0835 -9.28061 TIMING: 4793600 CPU: 15159.1, 0.00316329/step Wall: 15159.1, 0.00316329/step, 0.181362 hours remaining, 237.328125 MB of memory in use. ENERGY: 4793600 3975.3469 20484.2352 14486.0202 233.9210 -203432.8814 2672.8913 0.0000 0.0000 51843.3757 -109737.0910 297.9446 -161580.4667 -109378.2874 298.2048 24.6390 51.5550 761004.9203 4.4429 4.5530 PRESSURE: 4793800 98.3561 28.0069 189.655 28.0071 -136.286 157.674 189.655 157.674 208.345 GPRESSURE: 4793800 107.119 -54.5083 88.0968 -110.67 -26.2496 151.803 136.576 112.955 181.728 PRESSAVG: 4793800 -15.7379 0.798508 25.6647 0.798475 -18.0928 -58.6498 25.6647 -58.6498 28.9448 GPRESSAVG: 4793800 -16.1252 -2.10181 25.5701 -0.644187 -17.6175 -59.8002 25.5811 -58.7847 28.5155 TIMING: 4793800 CPU: 15159.7, 0.00318227/step Wall: 15159.7, 0.00318227/step, 0.182273 hours remaining, 237.328125 MB of memory in use. ENERGY: 4793800 3925.9493 20464.5868 14478.9806 244.8960 -203735.1789 2641.8469 0.0000 0.0000 52098.4938 -109880.4256 299.4108 -161978.9194 -109510.6485 298.2479 56.8052 87.5326 762468.9426 -1.6286 -1.7424 PRESSURE: 4794000 -140.257 146.793 45.0181 146.794 -261.502 135.046 45.0186 135.045 98.9693 GPRESSURE: 4794000 -177.965 99.5528 -77.6578 44.4684 -143.264 -8.48375 131.591 234.537 109.059 PRESSAVG: 4794000 36.735 -1.52593 -16.0242 -1.52594 -52.2505 63.3262 -16.0242 63.3262 -22.2643 GPRESSAVG: 4794000 36.2788 -1.66755 -16.5307 -1.20713 -51.9524 63.3062 -16.0914 61.4539 -21.8303 TIMING: 4794000 CPU: 15160.4, 0.00316831/step Wall: 15160.4, 0.00316831/step, 0.181298 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: 4794000 3934.4284 20651.9632 14548.6214 250.7143 -203724.5911 2753.3624 0.0000 0.0000 51970.3772 -109615.1241 298.6745 -161585.5014 -109262.6631 298.6126 -100.9299 -70.7234 761285.5874 -12.5933 -12.5013 PRESSURE: 4794200 -20.162 298.1 103.874 298.1 295.213 -63.8554 103.874 -63.8558 -127.172 GPRESSURE: 4794200 -14.2698 211.835 136.193 202.746 312.269 -133.596 72.1298 -2.66137 -62.6039 PRESSAVG: 4794200 -24.4873 35.1115 -17.7279 35.1115 -7.2097 6.78583 -17.728 6.78586 19.9351 GPRESSAVG: 4794200 -23.8999 36.0782 -17.273 34.5716 -8.46266 8.27404 -17.2024 8.62587 20.4219 TIMING: 4794200 CPU: 15161, 0.00316065/step Wall: 15161, 0.00316066/step, 0.180684 hours remaining, 237.328125 MB of memory in use. ENERGY: 4794200 3959.4652 20538.5574 14476.7300 253.0469 -203853.3694 2924.0637 0.0000 0.0000 52206.8257 -109494.6805 300.0333 -161701.5062 -109128.4085 298.9846 49.2930 78.4651 760619.7829 -3.9206 -3.9802 PRESSURE: 4794400 144.346 32.2076 124.711 32.2086 139.076 -260.517 124.711 -260.517 -18.0779 GPRESSURE: 4794400 126.539 46.913 136.553 50.2052 248.486 -214.13 214.116 -183.271 -28.7781 PRESSAVG: 4794400 -36.4146 15.331 2.65923 15.331 28.6228 -18.7832 2.65929 -18.7833 -6.8355 GPRESSAVG: 4794400 -35.3426 16.04 3.74127 16.0165 28.5948 -19.5278 3.78409 -18.2138 -8.37731 TIMING: 4794400 CPU: 15161.6, 0.00317761/step Wall: 15161.6, 0.00317761/step, 0.181477 hours remaining, 237.328125 MB of memory in use. ENERGY: 4794400 3943.9328 20499.4378 14451.2774 233.5512 -203108.5976 2545.8443 0.0000 0.0000 52179.8157 -109254.7385 299.8781 -161434.5542 -108886.1778 299.7085 88.4479 115.4157 762004.2557 -4.8758 -5.0417 PRESSURE: 4794600 276.126 -52.0027 105.379 -52.0024 273.755 60.3199 105.379 60.3189 -74.1896 GPRESSURE: 4794600 324.562 -8.95354 106.487 -33.7688 281.417 70.4472 70.412 -35.1993 -24.2308 PRESSAVG: 4794600 9.60675 15.9765 23.1918 15.9766 -34.1394 13.4014 23.1918 13.4015 -12.7827 GPRESSAVG: 4794600 8.45959 15.3468 22.5783 16.6784 -34.2871 13.2884 21.1755 11.5385 -12.0611 TIMING: 4794600 CPU: 15162.3, 0.00317776/step Wall: 15162.3, 0.00317776/step, 0.181309 hours remaining, 237.328125 MB of memory in use. ENERGY: 4794600 4123.7558 20572.9529 14503.7467 246.6204 -203188.7604 2796.1236 0.0000 0.0000 51975.0220 -108970.5390 298.7012 -160945.5610 -108626.0457 299.8525 158.5637 193.9158 761774.4611 -12.4385 -12.6295 PRESSURE: 4794800 42.6366 -79.4407 -62.6426 -79.4407 -226.186 -189.575 -62.6433 -189.575 -188.869 GPRESSURE: 4794800 96.6163 -81.7239 -4.41313 -64.9214 -166.23 -89.2356 -72.5093 -160.176 -216.889 PRESSAVG: 4794800 -38.7875 -31.9359 34.1649 -31.9359 6.88914 1.22398 34.165 1.22396 14.2873 GPRESSAVG: 4794800 -39.1531 -33.078 33.2723 -32.932 7.5324 0.36854 36.0575 1.85858 13.877 TIMING: 4794800 CPU: 15162.9, 0.00319114/step Wall: 15162.9, 0.00319114/step, 0.181895 hours remaining, 237.328125 MB of memory in use. ENERGY: 4794800 4022.7629 20538.4429 14513.3380 240.7591 -202743.3634 2247.1391 0.0000 0.0000 52189.0757 -108991.8458 299.9313 -161180.9215 -108629.3621 299.4067 -124.1395 -95.5011 762128.7990 -5.8703 -5.9146 PRESSURE: 4795000 -102.161 138.893 17.3432 138.893 2.86099 -130.991 17.343 -130.992 155.096 GPRESSURE: 4795000 -35.3166 96.6701 -28.6047 106.453 104.833 -176.879 81.3971 -42.3438 63.2439 PRESSAVG: 4795000 -1.28857 -2.47066 17.3409 -2.4706 -6.64253 23.514 17.3409 23.514 6.82121 GPRESSAVG: 4795000 -0.410442 -1.72666 16.8212 -2.49018 -7.36998 23.5987 16.7036 24.4197 6.7682 TIMING: 4795000 CPU: 15163.5, 0.00316962/step Wall: 15163.5, 0.00316962/step, 0.180492 hours remaining, 237.328125 MB of memory in use. ENERGY: 4795000 4081.2067 20358.5139 14476.4063 249.2614 -202305.0726 2024.9219 0.0000 0.0000 52131.1057 -108983.6567 299.5982 -161114.7624 -108627.1249 299.7624 18.5985 44.2534 762889.3085 -0.3700 -0.3374 PRESSURE: 4795200 282.355 5.04215 83.0038 5.04235 141.875 -9.29208 83.0026 -9.29263 -115.939 GPRESSURE: 4795200 202.768 -10.1585 202.941 -58.4412 152.886 -3.31957 200.542 78.917 24.6623 PRESSAVG: 4795200 -31.8386 1.11777 -51.7429 1.11782 22.8748 -10.4817 -51.7429 -10.4817 -11.6201 GPRESSAVG: 4795200 -32.927 1.40278 -49.1485 1.21338 22.9594 -9.69496 -50.3427 -12.1659 -11.0735 TIMING: 4795200 CPU: 15164.2, 0.00317518/step Wall: 15164.2, 0.00317518/step, 0.180633 hours remaining, 237.328125 MB of memory in use. ENERGY: 4795200 3975.7029 20449.4578 14440.7815 268.3571 -203144.5758 2753.5154 0.0000 0.0000 52184.8888 -109071.8724 299.9073 -161256.7612 -108713.2226 299.9993 102.7636 126.7719 761502.3373 -6.8613 -7.0137 PRESSURE: 4795400 423.342 -19.4437 108.635 -19.4433 132.852 2.03328 108.635 2.03313 339.694 GPRESSURE: 4795400 383.016 -16.1431 -34.9998 -37.347 231.815 -46.8779 42.6057 -28.9355 380.092 PRESSAVG: 4795400 25.9556 -8.38802 -10.1657 -8.38802 10.1187 -0.783472 -10.1656 -0.783405 -25.6937 GPRESSAVG: 4795400 25.1811 -7.95162 -12.499 -9.2944 10.7503 -1.06991 -10.2992 -0.147716 -25.1896 TIMING: 4795400 CPU: 15164.8, 0.00315709/step Wall: 15164.8, 0.00315709/step, 0.179428 hours remaining, 237.328125 MB of memory in use. ENERGY: 4795400 3954.1204 20579.5327 14489.2923 250.0214 -203603.5413 3058.3038 0.0000 0.0000 52230.6848 -109041.5859 300.1705 -161272.2708 -108691.2219 300.2186 298.6293 331.6411 760299.2625 3.4602 3.5806 PRESSURE: 4795600 -67.5738 3.56241 279.086 3.56183 -40.0554 -207.965 279.085 -207.965 324.525 GPRESSURE: 4795600 8.12756 -28.4211 284.707 111.709 67.9473 -301.288 210.61 -144.46 255.399 PRESSAVG: 4795600 -4.82334 -23.0168 -12.9008 -23.0169 9.02473 -50.3015 -12.9008 -50.3014 -23.5164 GPRESSAVG: 4795600 -5.90789 -22.5793 -12.8911 -23.007 9.93306 -51.5409 -14.5002 -48.4079 -23.5152 TIMING: 4795600 CPU: 15165.4, 0.00316631/step Wall: 15165.4, 0.00316631/step, 0.179776 hours remaining, 237.328125 MB of memory in use. ENERGY: 4795600 3961.8734 20382.6374 14525.0154 262.0512 -203017.9236 2616.7652 0.0000 0.0000 52155.7549 -109113.8262 299.7398 -161269.5810 -108756.9693 299.8083 72.2986 110.4914 762559.5796 -6.4383 -6.4967 PRESSURE: 4795800 38.9283 153.13 38.7996 153.13 255.89 -167.076 38.7992 -167.077 4.62256 GPRESSURE: 4795800 67.6018 173.535 29.5462 54.6098 210.44 -210.934 83.0836 -168.335 108.085 PRESSAVG: 4795800 8.92742 26.8795 -8.12682 26.8795 2.79577 13.6735 -8.12682 13.6735 26.4484 GPRESSAVG: 4795800 9.93633 27.4968 -7.34859 27.117 1.20768 13.2114 -8.896 11.3769 26.5382 TIMING: 4795800 CPU: 15166.1, 0.00315845/step Wall: 15166.1, 0.00315845/step, 0.179154 hours remaining, 237.328125 MB of memory in use. ENERGY: 4795800 3977.6847 20348.2800 14576.9763 240.1403 -203131.9656 2692.5074 0.0000 0.0000 52211.1684 -109085.2086 300.0583 -161296.3770 -108719.9900 299.5450 99.8135 128.7086 762085.6182 12.7239 12.5607 PRESSURE: 4796000 -91.4208 -63.0597 105.125 -63.0593 222.992 76.3361 105.125 76.3355 -120.512 GPRESSURE: 4796000 -58.538 2.3444 118.532 95.9171 347.109 122.744 35.9642 42.6389 -206.325 PRESSAVG: 4796000 -6.79331 41.0986 -24.561 41.0986 11.1261 -18.6688 -24.561 -18.6688 -14.538 GPRESSAVG: 4796000 -7.83611 41.9533 -26.3108 41.0931 12.8304 -17.3818 -23.3316 -19.7899 -15.0759 TIMING: 4796000 CPU: 15166.7, 0.0031669/step Wall: 15166.7, 0.00316689/step, 0.179457 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: 4796000 3934.3925 20469.6002 14502.5761 234.6675 -203174.5504 2587.5209 0.0000 0.0000 52357.8013 -109087.9919 300.9010 -161445.7932 -108733.1229 299.2808 3.6863 27.4155 761814.2434 -3.4017 -3.3605 PRESSURE: 4796200 -50.4545 126.843 -220.336 126.843 -105.179 -30.5575 -220.335 -30.5588 163.228 GPRESSURE: 4796200 6.38079 102.51 -129.259 137.39 -110.083 14.2051 -127.613 -44.4869 189.862 PRESSAVG: 4796200 34.421 -2.5249 -27.4544 -2.52492 -13.9507 38.212 -27.4544 38.2119 -7.61741 GPRESSAVG: 4796200 35.6966 -3.60039 -24.6634 -1.00761 -16.228 38.3772 -28.1354 40.0041 -7.01395 TIMING: 4796200 CPU: 15167.3, 0.00316302/step Wall: 15167.3, 0.00316302/step, 0.179062 hours remaining, 237.328125 MB of memory in use. ENERGY: 4796200 3941.8423 20551.9056 14566.5204 254.9469 -202925.8633 2467.2622 0.0000 0.0000 51810.2350 -109333.1510 297.7541 -161143.3860 -108976.3210 299.0988 2.5315 28.7200 762367.6393 4.2843 4.1516 LDB: ============= START OF LOAD BALANCING ============== 15179.9 LDB: ============== END OF LOAD BALANCING =============== 15179.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15179.9 LDB: ============= START OF LOAD BALANCING ============== 15180.2 LDB: Largest compute 7077 load 0.035934 is 18.4% of average load 0.195645 LDB: Average compute 0.004375 is 2.2% of average load 0.195645 LDB: TIME 15180.2 LOAD: AVG 0.195645 MAX 0.217199 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.895 MB LDB: TIME 15180.2 LOAD: AVG 0.195645 MAX 0.217199 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.898 MB LDB: TIME 15180.2 LOAD: AVG 0.195645 MAX 0.217199 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.898 MB LDB: ============== END OF LOAD BALANCING =============== 15180.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15180.2 PRESSURE: 4796400 -280.87 139.129 -173.087 139.13 216.806 -27.8269 -173.086 -27.8265 14.054 GPRESSURE: 4796400 -228.926 24.7255 -84.7714 143.805 295.411 -60.0883 -194.381 -139.173 -13.0397 PRESSAVG: 4796400 -20.1611 20.3629 -33.701 20.3629 55.078 -9.93342 -33.701 -9.93348 -11.5202 GPRESSAVG: 4796400 -20.1998 19.9008 -34.3089 19.1594 56.2741 -11.2116 -33.444 -11.2257 -11.9402 TIMING: 4796400 CPU: 15168, 0.0032539/step Wall: 15168, 0.0032539/step, 0.184026 hours remaining, 237.265625 MB of memory in use. ENERGY: 4796400 3953.6546 20290.5523 14493.3663 258.8825 -203108.2946 2490.7366 0.0000 0.0000 52401.0328 -109220.0695 301.1495 -161621.1023 -108860.0605 298.8796 -16.6701 17.8152 761037.4542 7.7989 8.0447 PRESSURE: 4796600 87.5758 146.804 -222.608 146.804 185.754 -25.1363 -222.608 -25.1358 -22.3665 GPRESSURE: 4796600 79.8474 169.374 -214.16 106.122 200.652 -59.8355 -128.241 95.9284 47.0818 PRESSAVG: 4796600 -63.4244 38.6835 8.28183 38.6836 36.5834 51.9228 8.28188 51.9227 27.1407 GPRESSAVG: 4796600 -63.4249 38.5083 6.50018 37.3245 36.8129 52.5833 8.7815 52.7551 26.5354 TIMING: 4796600 CPU: 15168.6, 0.00318993/step Wall: 15168.6, 0.00318993/step, 0.180231 hours remaining, 237.449219 MB of memory in use. ENERGY: 4796600 3952.8226 20555.7863 14483.3862 241.2860 -203162.7335 2639.5541 0.0000 0.0000 51947.2339 -109342.6644 298.5415 -161289.8983 -108975.6511 299.3338 83.6543 109.1939 761208.2105 0.0999 -0.0255 PRESSURE: 4796800 -243.319 100.615 -150.91 100.615 -63.9714 98.4744 -150.91 98.4743 -121.051 GPRESSURE: 4796800 -143.005 62.6055 -168.915 28.4847 -63.3057 108.126 -60.9407 60.3726 -144.493 PRESSAVG: 4796800 -19.8966 -14.2474 -12.6267 -14.2474 26.7802 -24.0782 -12.6267 -24.0783 8.78974 GPRESSAVG: 4796800 -20.6865 -14.0436 -11.5814 -10.7203 26.6866 -22.6339 -11.2382 -24.9611 8.73223 TIMING: 4796800 CPU: 15169.3, 0.00318207/step Wall: 15169.3, 0.00318207/step, 0.17961 hours remaining, 237.449219 MB of memory in use. ENERGY: 4796800 4011.1389 20377.2729 14558.2663 236.9625 -202905.4453 2427.8483 0.0000 0.0000 51979.3593 -109314.5971 298.7261 -161293.9564 -108952.1232 298.6644 -142.7805 -116.9346 763240.8593 5.2245 4.9108 PRESSURE: 4797000 -243.788 67.8349 -116.837 67.8353 -360.19 19.6589 -116.836 19.6586 58.7027 GPRESSURE: 4797000 -250.456 124.579 -156.485 59.5318 -307.456 -50.6256 -116.207 143.01 90.1919 PRESSAVG: 4797000 -8.56382 -21.6846 42.8149 -21.6846 33.3382 -1.84543 42.8149 -1.84542 16.4697 GPRESSAVG: 4797000 -7.86127 -21.131 41.0715 -24.6127 32.9819 -3.53131 43.8388 2.6366 15.5714 TIMING: 4797000 CPU: 15169.9, 0.00317442/step Wall: 15169.9, 0.00317442/step, 0.179002 hours remaining, 237.449219 MB of memory in use. ENERGY: 4797000 4021.7677 20331.8354 14443.8310 271.7894 -202515.1068 2181.9702 0.0000 0.0000 51995.9067 -109268.0064 298.8212 -161263.9131 -108907.0140 299.1696 -181.7583 -155.9066 761963.6953 13.7480 13.5640 PRESSURE: 4797200 -3.17684 -22.839 158.435 -22.8384 482.232 -20.8808 158.434 -20.8805 198.659 GPRESSURE: 4797200 161.544 34.5264 162.126 -26.2175 414.102 60.0326 24.6597 -113.463 187.424 PRESSAVG: 4797200 -10.6798 -24.8369 -15.0196 -24.837 60.8278 -10.7594 -15.0195 -10.7594 -3.81257 GPRESSAVG: 4797200 -11.3871 -22.5264 -15.8856 -24.8328 59.2427 -10.603 -16.7447 -15.5162 -1.72901 TIMING: 4797200 CPU: 15170.5, 0.00318073/step Wall: 15170.5, 0.00318073/step, 0.179181 hours remaining, 237.449219 MB of memory in use. ENERGY: 4797200 3952.3312 20468.3354 14536.9327 252.4987 -203573.0013 2943.2033 0.0000 0.0000 52274.6202 -109145.0798 300.4230 -161419.7000 -108780.4950 299.6173 225.9048 254.3565 760345.4463 15.4452 15.3755 PRESSURE: 4797400 145.498 64.8346 116.784 64.8351 -76.9802 139.612 116.784 139.611 184.787 GPRESSURE: 4797400 96.3931 134.481 59.5505 193.961 9.53693 99.5973 87.9232 196.167 244.631 PRESSAVG: 4797400 13.8385 0.108458 5.74163 0.108536 5.46924 -6.25392 5.74167 -6.25388 -6.42954 GPRESSAVG: 4797400 13.5689 -1.90266 6.40137 1.2367 6.46126 -4.48528 5.28415 -3.66328 -7.8385 TIMING: 4797400 CPU: 15171.2, 0.00318066/step Wall: 15171.2, 0.00318066/step, 0.179001 hours remaining, 237.449219 MB of memory in use. ENERGY: 4797400 3929.6578 20405.3934 14542.0663 220.8010 -202775.4736 2390.2387 0.0000 0.0000 52118.6745 -109168.6419 299.5267 -161287.3163 -108819.5033 299.7675 84.4347 116.8538 763171.0766 4.2927 4.0639 PRESSURE: 4797600 128.592 -61.8964 165.808 -61.8961 -176.808 -94.4923 165.807 -94.4918 -251.195 GPRESSURE: 4797600 111.944 55.3827 221.42 -133.521 -66.8367 -112.893 43.2184 -285.973 -257.029 PRESSAVG: 4797600 -34.8714 7.24018 12.8132 7.24017 -6.96018 -13.0243 12.8132 -13.0242 3.16873 GPRESSAVG: 4797600 -35.1397 8.4048 14.53 5.77011 -6.94444 -13.8531 12.0764 -12.4737 3.3476 TIMING: 4797600 CPU: 15171.8, 0.00317569/step Wall: 15171.8, 0.00317569/step, 0.178544 hours remaining, 237.449219 MB of memory in use. ENERGY: 4797600 4002.7015 20508.8560 14503.3342 244.6255 -203190.1530 2517.7116 0.0000 0.0000 52174.4643 -109238.4598 299.8474 -161412.9241 -108879.8132 299.0945 -99.8036 -70.6407 761134.0858 -12.8876 -12.9122 PRESSURE: 4797800 -442.443 73.4627 168.5 73.463 -370.011 -28.5844 168.5 -28.5842 305.337 GPRESSURE: 4797800 -275.854 16.2933 306.613 100.34 -388.27 81.5872 342.126 91.4 250.62 PRESSAVG: 4797800 16.3416 -37.8057 24.0025 -37.8057 8.1602 24.6103 24.0025 24.6104 -31.7307 GPRESSAVG: 4797800 14.6753 -38.8271 25.0393 -41.5132 8.6197 22.6039 26.115 23.084 -31.0067 TIMING: 4797800 CPU: 15172.4, 0.00316028/step Wall: 15172.4, 0.00316028/step, 0.177503 hours remaining, 237.449219 MB of memory in use. ENERGY: 4797800 3999.2495 20507.5294 14576.2207 264.2672 -202792.8723 2361.2885 0.0000 0.0000 51814.3435 -109269.9734 297.7777 -161084.3169 -108911.3047 299.3439 -169.0392 -137.8344 761301.9800 -2.4096 -2.5706 PRESSURE: 4798000 224.799 -143.208 95.8378 -143.208 125.237 56.5986 95.837 56.5986 -162.059 GPRESSURE: 4798000 165.856 -100.043 117.151 -96.0766 256.081 16.3728 24.3483 118.813 -144.429 PRESSAVG: 4798000 -12.366 -18.5771 32.7962 -18.5771 -34.5183 26.2424 32.7963 26.2424 11.6451 GPRESSAVG: 4798000 -9.71977 -16.5986 29.675 -15.1915 -36.2889 27.7596 32.2516 27.5233 11.0443 TIMING: 4798000 CPU: 15173.1, 0.00318382/step Wall: 15173.1, 0.00318382/step, 0.178648 hours remaining, 237.449219 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: 4798000 3922.9138 20431.0403 14519.0351 230.6792 -202819.7913 2432.5136 0.0000 0.0000 52191.5554 -109092.0539 299.9456 -161283.6093 -108745.4074 299.3612 62.6590 92.5027 760897.4074 -11.7464 -11.6548 PRESSURE: 4798200 125.904 -77.0077 134.009 -77.0077 408.399 -50.0221 134.009 -50.021 207.22 GPRESSURE: 4798200 127.845 -71.8809 116.902 -110.965 534.208 -53.0576 138.337 45.2802 151.798 PRESSAVG: 4798200 -31.4884 -23.6294 -2.03746 -23.6295 25.6665 -23.7109 -2.0375 -23.711 -7.81225 GPRESSAVG: 4798200 -32.6694 -26.1988 -0.490127 -22.2677 26.4084 -24.4844 -4.25418 -22.8081 -7.53878 TIMING: 4798200 CPU: 15173.7, 0.00319242/step Wall: 15173.7, 0.00319242/step, 0.178953 hours remaining, 237.449219 MB of memory in use. ENERGY: 4798200 3851.9357 20372.7442 14548.2479 258.5619 -203145.0879 2635.0106 0.0000 0.0000 52176.4344 -109302.1532 299.8587 -161478.5876 -108933.3229 299.2715 247.1742 271.2836 758853.7141 -4.5447 -4.6000 PRESSURE: 4798400 -110.617 -78.958 96.0954 -78.9586 -215.573 -83.2362 96.0954 -83.2377 144.833 GPRESSURE: 4798400 -6.37456 -66.4078 97.4826 -73.9616 -198.797 -10.32 123.689 -125.365 89.481 PRESSAVG: 4798400 0.6606 -30.1316 -13.4841 -30.1316 16.5246 -2.05738 -13.4841 -2.05742 19.6667 GPRESSAVG: 4798400 0.499497 -29.0554 -12.7748 -31.1163 15.8677 -2.41928 -12.2864 -3.07015 20.9723 TIMING: 4798400 CPU: 15174.3, 0.00319309/step Wall: 15174.3, 0.00319309/step, 0.178813 hours remaining, 237.449219 MB of memory in use. ENERGY: 4798400 4012.4601 20361.9367 14490.8953 224.6865 -202671.3402 2206.0546 0.0000 0.0000 52218.1860 -109157.1210 300.0986 -161375.3070 -108790.0484 299.1253 -60.4525 -38.5637 763021.6492 12.2840 12.4465 PRESSURE: 4798600 8.03851 32.3011 -112.907 32.3012 238.334 -66.6325 -112.907 -66.6328 -68.0098 GPRESSURE: 4798600 25.7865 13.6466 -71.6184 29.8477 274.303 -50.3292 -87.7228 106.529 -27.1659 PRESSAVG: 4798600 -5.42464 21.4539 -37.342 21.4539 10.5457 35.9885 -37.342 35.9884 5.16923 GPRESSAVG: 4798600 -4.38755 20.9219 -38.0421 20.7035 10.7931 38.5995 -36.2308 36.8437 3.91343 TIMING: 4798600 CPU: 15175, 0.00316985/step Wall: 15175, 0.00316985/step, 0.177336 hours remaining, 237.449219 MB of memory in use. ENERGY: 4798600 3968.7617 20388.0679 14501.4562 234.5540 -203239.5907 2761.4075 0.0000 0.0000 52282.1685 -109103.1749 300.4663 -161385.3434 -108737.2515 299.4196 59.4544 90.9746 760608.8391 3.4301 3.4397 PRESSURE: 4798800 -253.577 142.262 89.7291 142.263 -71.8343 32.877 89.7291 32.8771 -96.1853 GPRESSURE: 4798800 -193.807 76.007 69.044 63.293 -39.6571 -41.6243 -6.52582 50.0121 -95.5359 PRESSAVG: 4798800 -6.15777 -25.6642 -8.48277 -25.6642 35.3377 -3.97978 -8.48273 -3.97975 5.76 GPRESSAVG: 4798800 -6.1836 -26.6753 -9.80349 -24.4946 35.6583 -3.84811 -10.5067 -6.6959 5.61577 TIMING: 4798800 CPU: 15175.6, 0.00315235/step Wall: 15175.6, 0.00315235/step, 0.176181 hours remaining, 237.449219 MB of memory in use. ENERGY: 4798800 3966.7563 20458.4363 14472.3915 249.7334 -203278.6469 2689.7194 0.0000 0.0000 52193.2809 -109248.3292 299.9555 -161441.6101 -108887.5314 299.7391 -140.5321 -109.6667 761995.2026 11.6466 11.6968 PRESSURE: 4799000 -100.945 48.3268 69.8087 48.3265 422.883 104.203 69.8088 104.203 124.29 GPRESSURE: 4799000 13.5946 68.6252 52.0145 1.92127 341.34 77.3085 -49.7294 -19.3498 191.114 PRESSAVG: 4799000 -35.1148 -21.9927 22.5862 -21.9927 37.6046 30.8248 22.5862 30.8248 18.8723 GPRESSAVG: 4799000 -35.5273 -20.9419 23.0684 -22.8193 38.0834 31.3536 24.1332 28.999 19.2558 TIMING: 4799000 CPU: 15176.2, 0.00315719/step Wall: 15176.2, 0.00315719/step, 0.176276 hours remaining, 237.449219 MB of memory in use. ENERGY: 4799000 3966.8888 20557.9696 14445.8274 259.5408 -203366.2428 2712.1505 0.0000 0.0000 52243.1544 -109180.7113 300.2421 -161423.8657 -108816.7275 299.5031 148.7426 182.0163 761412.2944 7.1207 7.2706 PRESSURE: 4799200 239.87 -28.3109 8.23631 -28.3108 -394.771 82.7488 8.2362 82.7478 -229.336 GPRESSURE: 4799200 217.095 -16.9916 -90.1794 -13.935 -312.851 126.919 -38.7198 36.0209 -203.152 PRESSAVG: 4799200 21.7304 -23.1049 -4.8493 -23.1049 -29.0422 55.5213 -4.84932 55.5213 -2.49097 GPRESSAVG: 4799200 20.8422 -23.2874 -5.14065 -24.264 -28.6955 54.001 -6.56331 58.7991 -1.65968 TIMING: 4799200 CPU: 15176.9, 0.00317796/step Wall: 15176.9, 0.00317796/step, 0.17726 hours remaining, 237.449219 MB of memory in use. ENERGY: 4799200 4009.7875 20471.0233 14537.9789 258.6659 -203396.8858 2655.9054 0.0000 0.0000 52113.5052 -109350.0196 299.4970 -161463.5248 -108983.4187 299.2290 -128.0789 -99.6363 761997.0007 -3.2676 -3.1710 PRESSURE: 4799400 43.2686 54.2701 -147.287 54.2696 0.292066 225.418 -147.288 225.419 566.65 GPRESSURE: 4799400 208.688 118.856 -83.0915 -104.291 17.2446 204.539 -144.441 253.864 473.759 PRESSAVG: 4799400 23.0098 22.9743 2.43462 22.9743 -11.6286 16.3369 2.43462 16.3368 6.3722 GPRESSAVG: 4799400 23.5919 23.9223 3.20164 23.7507 -11.8832 17.4649 3.25843 15.5249 5.90192 TIMING: 4799400 CPU: 15177.5, 0.00317459/step Wall: 15177.5, 0.00317459/step, 0.176895 hours remaining, 237.449219 MB of memory in use. ENERGY: 4799400 4012.2109 20707.2634 14495.7233 235.3246 -203539.7980 2754.5188 0.0000 0.0000 51937.9696 -109396.7874 298.4882 -161334.7570 -109044.8545 299.1249 203.4036 233.2303 761295.7865 5.9178 5.8702 PRESSURE: 4799600 -110.629 311.842 2.2236 311.841 148.098 74.4578 2.22229 74.4579 12.8718 GPRESSURE: 4799600 -58.9457 276.252 -27.4752 200.483 80.4563 -0.867287 64.3595 164.511 108.58 PRESSAVG: 4799600 46.4818 -26.9813 35.7887 -26.9813 11.0459 13.7464 35.7887 13.7464 14.5999 GPRESSAVG: 4799600 46.5316 -28.0941 37.5567 -25.8746 10.6158 13.7127 35.1775 11.994 14.7634 TIMING: 4799600 CPU: 15178.2, 0.00318899/step Wall: 15178.2, 0.00318899/step, 0.17752 hours remaining, 237.449219 MB of memory in use. ENERGY: 4799600 3983.0924 20642.3421 14461.8287 269.3553 -203588.3882 2644.2882 0.0000 0.0000 51951.3784 -109636.1030 298.5653 -161587.4815 -109270.1979 299.1641 16.7803 43.3637 761574.4787 24.0426 23.9703 PRESSURE: 4799800 142.814 -171.189 159.698 -171.189 72.5921 76.8845 159.698 76.8851 184.874 GPRESSURE: 4799800 176.636 -137.338 116.487 -100.806 60.0449 73.9216 29.3583 45.733 237.792 PRESSAVG: 4799800 25.4071 -40.9031 -42.5239 -40.9032 -45.9294 23.7678 -42.5238 23.7678 3.00931 GPRESSAVG: 4799800 25.2643 -40.4793 -43.8343 -40.3765 -44.8778 21.8744 -43.4911 26.9076 2.61639 TIMING: 4799800 CPU: 15178.8, 0.00322639/step Wall: 15178.8, 0.00322639/step, 0.179423 hours remaining, 237.449219 MB of memory in use. ENERGY: 4799800 3990.8252 20446.8369 14532.2746 255.1087 -203640.2899 2757.0738 0.0000 0.0000 52038.0258 -109620.1450 299.0632 -161658.1708 -109252.4466 298.6754 133.4268 158.1577 762818.0855 -5.8377 -5.6657 PRESSURE: 4800000 169.178 -50.3837 -290.598 -50.384 475.935 83.9637 -290.597 83.9645 126.498 GPRESSURE: 4800000 247.244 15.7371 -341.56 -72.4862 454.598 72.5083 -254.285 76.0494 160.24 PRESSAVG: 4800000 9.44383 34.8523 -2.29789 34.8522 13.8412 18.2412 -2.29789 18.2412 -22.6328 GPRESSAVG: 4800000 9.39027 34.8046 -3.26192 34.4048 13.2365 18.8481 -1.1967 19.4083 -22.3779 TIMING: 4800000 CPU: 15179.4, 0.0032251/step Wall: 15179.4, 0.0032251/step, 0.179172 hours remaining, 237.449219 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: 4800000 3895.1134 20587.5905 14462.7582 257.4561 -204013.0865 3037.2028 0.0000 0.0000 52333.5937 -109439.3719 300.7619 -161772.9656 -109092.9251 299.2201 257.2036 287.3610 762526.3163 0.2174 0.0829 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 WRITING COORDINATES TO DCD FILE MD.1.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 330.935 141.737 27.2837 141.737 331.026 152.193 27.2836 152.195 -160.968 GPRESSURE: 4800200 430.096 234.973 -8.39374 55.7817 349.636 24.6817 58.0183 140.778 -185.973 PRESSAVG: 4800200 -52.2847 -9.35406 -3.99686 -9.35405 63.5563 5.9681 -3.99686 5.96807 7.98665 GPRESSAVG: 4800200 -52.4491 -10.0359 -4.73317 -10.5366 63.6016 6.87611 -2.45024 4.04241 7.97302 TIMING: 4800200 CPU: 15180.1, 0.00330452/step Wall: 15180.1, 0.00330452/step, 0.183401 hours remaining, 237.574219 MB of memory in use. ENERGY: 4800200 4062.0678 20611.7847 14438.9054 257.1645 -203510.5092 2840.6971 0.0000 0.0000 51802.1901 -109497.6996 297.7079 -161299.8897 -109144.7188 299.0627 166.9975 197.9194 761886.5094 6.4194 6.3752 LDB: ============= START OF LOAD BALANCING ============== 15192.6 LDB: ============== END OF LOAD BALANCING =============== 15192.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15192.6 LDB: ============= START OF LOAD BALANCING ============== 15193 LDB: Largest compute 7077 load 0.035547 is 18.2% of average load 0.195672 LDB: Average compute 0.004399 is 2.2% of average load 0.195672 LDB: TIME 15193 LOAD: AVG 0.195672 MAX 0.215571 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.625 MB LDB: TIME 15193 LOAD: AVG 0.195672 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: TIME 15193 LOAD: AVG 0.195672 MAX 0.215571 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.66 MB LDB: ============== END OF LOAD BALANCING =============== 15193 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15193 PRESSURE: 4800400 117.559 204.5 -85.104 204.5 -11.8435 318.534 -85.1041 318.533 153.06 GPRESSURE: 4800400 22.0025 112.031 -66.6789 263.823 112.883 287.23 -37.8316 268.809 193.786 PRESSAVG: 4800400 -9.52163 48.107 -22.2302 48.107 27.3303 -9.33731 -22.2302 -9.3373 -0.592431 GPRESSAVG: 4800400 -9.62229 47.8727 -21.5646 49.2637 27.5281 -9.58338 -23.2643 -8.48315 -0.506579 TIMING: 4800400 CPU: 15180.8, 0.00325477/step Wall: 15180.8, 0.00325477/step, 0.180459 hours remaining, 236.449219 MB of memory in use. ENERGY: 4800400 4039.1509 20602.2074 14492.3047 237.0047 -203459.3483 2666.8261 0.0000 0.0000 51766.5511 -109655.3034 297.5031 -161421.8545 -109290.6538 298.7957 86.2586 109.5571 761097.1258 5.7387 5.7997 PRESSURE: 4800600 -84.8823 -57.7972 -45.7462 -57.7979 -365.526 213.706 -45.7464 213.705 89.6823 GPRESSURE: 4800600 12.4059 -94.7742 -158.723 -193.928 -342.341 148.292 -78.4606 229.861 54.1122 PRESSAVG: 4800600 56.8678 1.69481 -18.8718 1.69484 -28.219 17.056 -18.8718 17.0559 2.61223 GPRESSAVG: 4800600 56.8396 3.05055 -19.7651 1.0169 -27.7164 17.5981 -20.5225 17.3198 2.64448 TIMING: 4800600 CPU: 15181.4, 0.00319003/step Wall: 15181.4, 0.00319003/step, 0.176692 hours remaining, 236.496094 MB of memory in use. ENERGY: 4800600 4047.5820 20699.6107 14549.9377 262.1375 -203294.5812 2358.5393 0.0000 0.0000 51858.6213 -109518.1527 298.0322 -161376.7741 -109158.1437 298.8893 -120.2421 -91.9408 760402.7609 10.4203 10.5892 PRESSURE: 4800800 -482.054 -0.599218 -156.08 -0.597974 -88.3383 51.0638 -156.079 51.0631 -336.647 GPRESSURE: 4800800 -353.108 121.899 -165.615 53.6828 -132.472 -85.1655 -131.55 145.701 -344.579 PRESSAVG: 4800800 -5.41498 14.018 -21.1588 14.018 -6.28797 -13.3868 -21.1589 -13.3868 4.24153 GPRESSAVG: 4800800 -5.43507 14.2406 -18.0212 12.7965 -6.87458 -13.4077 -22.0584 -14.0269 5.01928 TIMING: 4800800 CPU: 15182, 0.00317938/step Wall: 15182, 0.00317938/step, 0.175926 hours remaining, 236.496094 MB of memory in use. ENERGY: 4800800 3924.3512 20536.0520 14523.5018 252.8248 -203006.3994 2197.1746 0.0000 0.0000 52130.0216 -109442.4734 299.5920 -161572.4950 -109075.4403 298.6902 -302.3468 -276.7197 762896.4404 -2.4871 -2.4301 PRESSURE: 4801000 -75.1127 -52.1912 191.972 -52.192 36.4933 -102.798 191.973 -102.799 163.664 GPRESSURE: 4801000 -25.0462 -99.2203 257.72 -198.707 134.629 -34.1768 90.8556 -72.9455 109.791 PRESSAVG: 4801000 -12.4186 10.0951 20.6611 10.0951 5.8749 -5.90158 20.6611 -5.90161 -18.8612 GPRESSAVG: 4801000 -12.5021 11.1706 19.6741 9.47171 7.64482 -5.37269 23.0044 -6.01428 -20.7641 TIMING: 4801000 CPU: 15182.7, 0.0031811/step Wall: 15182.7, 0.0031811/step, 0.175844 hours remaining, 236.496094 MB of memory in use. ENERGY: 4801000 3990.8256 20519.8288 14547.2023 242.4942 -203258.9546 2587.5343 0.0000 0.0000 51992.5267 -109378.5426 298.8018 -161371.0693 -109012.2454 299.3250 41.6815 73.1245 760745.2700 -8.4683 -8.5405 PRESSURE: 4801200 38.9203 134.109 -240.539 134.109 6.68014 -44.777 -240.538 -44.7779 86.5568 GPRESSURE: 4801200 82.672 161.365 -241.688 169.1 -30.2164 -48.3856 -198.165 -0.838032 160.684 PRESSAVG: 4801200 2.64232 71.9568 -3.94716 71.9569 -19.6459 -3.71431 -3.94712 -3.71435 -12.0012 GPRESSAVG: 4801200 2.57507 68.1671 -4.49103 74.9227 -19.2129 -4.8402 -5.46065 -1.93257 -11.3616 TIMING: 4801200 CPU: 15183.3, 0.00316613/step Wall: 15183.3, 0.00316613/step, 0.17484 hours remaining, 236.496094 MB of memory in use. ENERGY: 4801200 4077.8857 20420.6211 14498.2983 240.0713 -203083.9372 2411.1444 0.0000 0.0000 51869.7668 -109566.1497 298.0963 -161435.9165 -109205.2268 299.1442 44.0524 71.0465 761114.1600 -9.6683 -9.3331 PRESSURE: 4801400 345.429 -192.634 111.716 -192.635 -226.806 -191.298 111.716 -191.297 -192.33 GPRESSURE: 4801400 316.672 -213.955 132.167 -322.759 -114.191 -106.283 -21.9712 -196.556 -184.896 PRESSAVG: 4801400 13.3953 21.8518 16.7264 21.8518 -36.9736 -36.1475 16.7264 -36.1475 37.0281 GPRESSAVG: 4801400 14.7306 24.2104 18.2161 20.9882 -38.2718 -35.3211 18.2477 -36.7474 36.9132 TIMING: 4801400 CPU: 15183.9, 0.00316092/step Wall: 15183.9, 0.00316092/step, 0.174377 hours remaining, 236.597656 MB of memory in use. ENERGY: 4801400 4071.7174 20608.8436 14499.7414 244.3880 -203836.0466 2882.7213 0.0000 0.0000 51698.3227 -109830.3123 297.1110 -161528.6350 -109476.5178 298.4960 -24.5688 5.8617 759619.5832 4.4833 4.4573 PRESSURE: 4801600 -258.24 115.894 -134.021 115.893 -2.60233 58.8923 -134.021 58.8912 34.677 GPRESSURE: 4801600 -279.695 101.498 -155.668 99.8189 119.482 76.9662 -116.012 -49.9329 13.0934 PRESSAVG: 4801600 29.0336 11.2018 -0.998295 11.2019 -1.35512 -32.246 -0.998247 -32.2459 -3.57854 GPRESSAVG: 4801600 26.9559 11.4086 -2.4143 9.45493 -0.344095 -31.637 -0.600645 -32.5514 -2.97754 TIMING: 4801600 CPU: 15184.6, 0.00320533/step Wall: 15184.6, 0.00320533/step, 0.176649 hours remaining, 236.597656 MB of memory in use. ENERGY: 4801600 4047.4493 20586.7785 14464.3510 248.9537 -203455.7136 2469.5594 0.0000 0.0000 51821.9871 -109816.6347 297.8217 -161638.6218 -109454.5490 298.0952 -75.3886 -49.0398 760566.8553 8.0333 7.8781 PRESSURE: 4801800 -75.1191 8.62154 -30.6779 8.62196 -66.4939 312.228 -30.6769 312.228 -151.349 GPRESSURE: 4801800 -144.238 22.6131 -13.082 27.9627 -57.6699 330.937 16.9315 222.658 -21.0385 PRESSAVG: 4801800 -35.6202 15.6868 -2.58124 15.6868 32.9993 -7.3859 -2.58127 -7.38591 17.455 GPRESSAVG: 4801800 -34.3023 14.6094 -2.92286 17.2051 32.4226 -7.88591 -2.50134 -9.00805 17.3414 TIMING: 4801800 CPU: 15185.2, 0.00316989/step Wall: 15185.2, 0.00316989/step, 0.17452 hours remaining, 236.597656 MB of memory in use. ENERGY: 4801800 4022.9802 20703.7320 14511.8218 255.3880 -203790.7709 2630.3184 0.0000 0.0000 51738.7472 -109927.7832 297.3433 -161666.5303 -109566.4310 298.1881 -97.6538 -74.3156 760056.9086 4.9447 5.1539 PRESSURE: 4802000 238.829 -57.6886 2.60477 -57.6889 -273.276 98.9961 2.6039 98.9961 511.5 GPRESSURE: 4802000 241.978 14.8394 135.029 -25.4165 -162.407 46.505 -145.761 94.1933 482.58 PRESSAVG: 4802000 -45.4029 19.275 12.4145 19.275 66.0507 -10.5871 12.4144 -10.5871 -10.6563 GPRESSAVG: 4802000 -44.6638 19.1045 13.0287 17.1153 65.548 -12.6846 9.02078 -8.94523 -10.8102 TIMING: 4802000 CPU: 15185.8, 0.00319275/step Wall: 15185.8, 0.00319275/step, 0.175601 hours remaining, 236.597656 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: 4802000 3985.0045 20321.0045 14588.5927 261.6263 -204160.1302 2943.8446 0.0000 0.0000 52022.2431 -110037.8145 298.9725 -162060.0576 -109673.4644 298.0695 159.0173 187.3839 759453.2011 3.3305 3.3580 PRESSURE: 4802200 -84.0536 172.154 -257.52 172.154 438.602 0.299489 -257.52 0.299078 251.123 GPRESSURE: 4802200 1.7897 142.537 -178.642 48.5046 499.917 -12.1744 -276.566 1.82881 204.727 PRESSAVG: 4802200 27.912 12.8495 14.9324 12.8495 3.63202 -14.8756 14.9323 -14.8755 -10.5166 GPRESSAVG: 4802200 27.7173 14.2183 15.8156 13.1686 3.47972 -11.9029 18.1564 -15.5602 -10.331 TIMING: 4802200 CPU: 15186.5, 0.00318601/step Wall: 15186.5, 0.00318601/step, 0.175053 hours remaining, 236.597656 MB of memory in use. ENERGY: 4802200 3940.5112 20515.6146 14544.6711 259.0139 -203864.5426 2575.9185 0.0000 0.0000 51979.2947 -110049.5184 298.7257 -162028.8131 -109680.0061 298.2961 201.8905 235.4778 759672.6760 7.0091 6.9554 PRESSURE: 4802400 -12.1058 35.0854 35.1539 35.0865 122.6 32.6139 35.153 32.6152 -210.995 GPRESSURE: 4802400 41.4503 39.8931 29.6622 -56.1315 126.741 21.18 3.76085 77.7601 -202.293 PRESSAVG: 4802400 -49.4462 5.8485 49.9522 5.8485 17.9801 1.55745 49.9522 1.55752 -2.57975 GPRESSAVG: 4802400 -49.4874 4.74357 47.3336 5.97715 18.2847 0.28849 48.7435 1.9487 -3.05763 TIMING: 4802400 CPU: 15187.1, 0.00321565/step Wall: 15187.1, 0.00321565/step, 0.176503 hours remaining, 236.597656 MB of memory in use. ENERGY: 4802400 4029.2710 20569.7070 14562.2835 248.5601 -203881.3318 2562.2283 0.0000 0.0000 52069.9795 -109839.3025 299.2469 -161909.2820 -109486.3968 298.1043 -33.5002 -11.3672 759606.7533 -11.3486 -11.4201 PRESSURE: 4802600 -297.943 45.9113 69.4362 45.9121 146.676 45.1644 69.437 45.165 53.4402 GPRESSURE: 4802600 -165.479 -48.1211 70.3362 97.4779 47.9578 103.486 87.0477 30.1537 106.418 PRESSAVG: 4802600 -34.3911 5.04893 21.1166 5.04893 33.8299 39.2759 21.1166 39.2759 1.00472 GPRESSAVG: 4802600 -33.7402 2.17425 21.644 5.79122 32.7336 39.9868 21.8575 40.7466 1.44518 TIMING: 4802600 CPU: 15187.8, 0.00319283/step Wall: 15187.8, 0.00319283/step, 0.175073 hours remaining, 236.597656 MB of memory in use. ENERGY: 4802600 3984.6353 20595.9245 14637.8914 246.5772 -203729.2150 2684.7669 0.0000 0.0000 51855.7664 -109723.6533 298.0158 -161579.4196 -109374.0581 298.2449 -32.6086 -3.7009 760957.6218 0.1479 0.1462 PRESSURE: 4802800 126.396 -8.13621 -9.39136 -8.1354 14.6317 -130.662 -9.39244 -130.661 -211.269 GPRESSURE: 4802800 83.3253 -26.4418 -0.61614 -12.6562 123.796 -118.395 32.5611 -185.506 -203.227 PRESSAVG: 4802800 42.0148 -46.8408 21.3573 -46.8407 -1.62363 -39.3487 21.3573 -39.3488 12.7292 GPRESSAVG: 4802800 41.3311 -44.8769 21.3815 -49.5415 -1.38184 -40.5914 22.8258 -42.3636 13.0113 TIMING: 4802800 CPU: 15188.4, 0.00319578/step Wall: 15188.4, 0.00319578/step, 0.175058 hours remaining, 236.597656 MB of memory in use. ENERGY: 4802800 3972.3089 20505.0237 14530.9528 244.6908 -203541.3325 2864.3421 0.0000 0.0000 51950.9818 -109473.0324 298.5630 -161424.0142 -109109.4563 298.9354 -23.4137 1.2983 760896.3043 17.7068 17.6535 PRESSURE: 4803000 112.915 57.0803 -95.5168 57.0809 -97.4571 18.2312 -95.5166 18.2305 -41.324 GPRESSURE: 4803000 186.245 -60.6091 -38.1879 36.0044 -55.0436 30.1429 -58.3476 178.664 -83.6197 PRESSAVG: 4803000 22.4885 -17.4402 0.247856 -17.4402 -48.3172 -29.618 0.247854 -29.6181 9.03969 GPRESSAVG: 4803000 22.719 -18.2775 0.751845 -16.6485 -49.1546 -28.7026 -1.37001 -28.0315 9.57384 TIMING: 4803000 CPU: 15189, 0.00317842/step Wall: 15189, 0.00317842/step, 0.17393 hours remaining, 236.597656 MB of memory in use. ENERGY: 4803000 3956.9624 20502.5376 14527.2256 233.2517 -203871.9345 2912.2750 0.0000 0.0000 52267.5701 -109472.1121 300.3824 -161739.6822 -109106.0589 299.3520 -8.6222 15.8606 762645.4028 -5.5963 -5.6206 PRESSURE: 4803200 -259.156 -212.849 -93.0902 -212.849 -202.186 236.901 -93.091 236.901 -415.896 GPRESSURE: 4803200 -232.171 -105.122 -144.726 -299.562 -175.995 196.296 -123.968 100.033 -382.361 PRESSAVG: 4803200 -7.85756 29.5877 -52.8122 29.5877 4.81093 18.3697 -52.8122 18.3697 12.5297 GPRESSAVG: 4803200 -9.50991 30.6484 -52.7869 29.0986 6.61089 16.6544 -52.7916 18.8638 11.8782 TIMING: 4803200 CPU: 15189.7, 0.00316682/step Wall: 15189.7, 0.00316682/step, 0.17312 hours remaining, 236.597656 MB of memory in use. ENERGY: 4803200 4057.6576 20605.9717 14622.7406 234.2228 -203827.3945 2762.8424 0.0000 0.0000 52145.9967 -109397.9628 299.6838 -161543.9595 -109035.5849 299.2904 -292.4126 -263.5089 761378.4620 3.1610 2.9931 PRESSURE: 4803400 -29.6021 -79.6237 -187.614 -79.6236 65.0575 24.2648 -187.616 24.2641 120.167 GPRESSURE: 4803400 -21.6469 -109.659 -208.727 -47.4125 137.617 118.056 -125.011 37.9436 140.326 PRESSAVG: 4803400 52.802 30.2389 32.6259 30.239 -23.3789 13.2803 32.626 13.2803 10.0943 GPRESSAVG: 4803400 53.394 31.2811 32.5131 30.6056 -23.4157 14.1114 32.6641 12.3839 9.78846 TIMING: 4803400 CPU: 15190.3, 0.0031632/step Wall: 15190.3, 0.0031632/step, 0.172746 hours remaining, 236.597656 MB of memory in use. ENERGY: 4803400 4034.2116 20518.1261 14595.2341 249.8061 -203712.1720 2757.2586 0.0000 0.0000 52135.8028 -109421.7326 299.6252 -161557.5355 -109061.3017 299.4149 51.8741 85.4319 760989.0368 13.1725 13.2556 PRESSURE: 4803600 -119.627 116.163 -30.8447 116.163 5.27189 -126.337 -30.8451 -126.336 -128.687 GPRESSURE: 4803600 -9.9731 252.622 -139.969 142.532 -50.9663 -98.1381 -26.5599 -13.6934 -89.3193 PRESSAVG: 4803600 -25.0114 -45.0458 27.5732 -45.0457 14.4826 15.6406 27.5732 15.6407 -11.4613 GPRESSAVG: 4803600 -24.2654 -44.7181 26.3279 -45.1841 14.6006 16.4705 26.2576 14.5677 -12.3882 TIMING: 4803600 CPU: 15190.9, 0.00316653/step Wall: 15190.9, 0.00316653/step, 0.172752 hours remaining, 236.597656 MB of memory in use. ENERGY: 4803600 4070.6373 20554.5930 14600.7640 241.3124 -203490.9281 2646.8259 0.0000 0.0000 52182.7774 -109194.0183 299.8951 -161376.7956 -108832.7350 299.6609 -81.0139 -50.0862 762367.8020 -7.3301 -7.3510 PRESSURE: 4803800 -66.1218 -37.9053 241.176 -37.9051 -255.759 70.6454 241.176 70.6443 323.841 GPRESSURE: 4803800 -8.3345 -7.3089 199.704 -111.944 -161.673 32.7443 121.112 0.183447 252.947 PRESSAVG: 4803800 -11.2613 -43.1777 26.0403 -43.1777 -11.5326 20.6645 26.0403 20.6644 -6.54008 GPRESSAVG: 4803800 -11.227 -44.4617 27.6388 -42.1139 -11.979 21.4114 25.5143 21.6729 -5.42088 TIMING: 4803800 CPU: 15191.6, 0.00316418/step Wall: 15191.6, 0.00316418/step, 0.172448 hours remaining, 236.597656 MB of memory in use. ENERGY: 4803800 4064.4089 20645.1749 14604.9543 230.3920 -203375.2215 2594.1298 0.0000 0.0000 52152.6866 -109083.4750 299.7222 -161236.1616 -108719.2152 299.9263 0.6533 27.6466 762290.5238 -9.7780 -9.5423 PRESSURE: 4804000 40.3513 -7.20433 50.2697 -7.20495 -38.061 191.671 50.2694 191.67 -254.613 GPRESSURE: 4804000 -55.7038 22.5371 119.666 39.9632 72.1062 160.027 77.4088 171.841 -200.674 PRESSAVG: 4804000 -13.0238 32.2113 -19.8683 32.2114 -10.3982 35.7697 -19.8683 35.7697 13.8594 GPRESSAVG: 4804000 -14.1814 31.1629 -19.9191 31.9123 -10.1737 33.8385 -17.0691 36.2908 14.4974 TIMING: 4804000 CPU: 15192.2, 0.00316544/step Wall: 15192.2, 0.00316544/step, 0.172341 hours remaining, 236.597656 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: 4804000 3997.7451 20635.8631 14486.9445 245.7237 -203110.5520 2314.5622 0.0000 0.0000 52549.7211 -108879.9922 302.0040 -161429.7133 -108510.5236 300.3504 -84.1076 -61.4237 763237.9390 -3.1875 -3.2859 PRESSURE: 4804200 -164.632 -213.129 66.1414 -213.13 171.38 35.0058 66.1412 35.0062 -168.01 GPRESSURE: 4804200 -120.411 -176.647 11.8176 -95.3125 217.493 -36.5613 71.0817 -38.8485 -175.649 PRESSAVG: 4804200 34.6979 21.1194 -12.1532 21.1194 1.10132 48.5375 -12.1532 48.5376 8.622 GPRESSAVG: 4804200 35.869 22.2961 -11.7216 21.7763 0.551891 49.2118 -14.3896 48.0325 7.80417 TIMING: 4804200 CPU: 15192.8, 0.00317939/step Wall: 15192.8, 0.00317939/step, 0.172924 hours remaining, 236.597656 MB of memory in use. ENERGY: 4804200 4027.9956 20870.4007 14552.9474 241.6518 -203499.3923 2843.8701 0.0000 0.0000 52035.4689 -108927.0578 299.0486 -160962.5267 -108564.3766 300.2276 -53.7539 -26.1892 762633.8969 14.8071 14.7417 LDB: ============= START OF LOAD BALANCING ============== 15205.4 LDB: ============== END OF LOAD BALANCING =============== 15205.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15205.4 LDB: ============= START OF LOAD BALANCING ============== 15205.7 LDB: Largest compute 7077 load 0.037640 is 19.2% of average load 0.195629 LDB: Average compute 0.004401 is 2.2% of average load 0.195629 LDB: TIME 15205.7 LOAD: AVG 0.195629 MAX 0.214715 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.473 MB LDB: TIME 15205.7 LOAD: AVG 0.195629 MAX 0.214715 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.68 MB LDB: TIME 15205.7 LOAD: AVG 0.195629 MAX 0.214715 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.68 MB LDB: ============== END OF LOAD BALANCING =============== 15205.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15205.7 PRESSURE: 4804400 -58.9258 138.304 30.7226 138.305 -58.9831 197.994 30.7226 197.994 -83.8755 GPRESSURE: 4804400 29.276 166.573 40.3594 165.205 -10.2566 186.802 92.7322 145.555 -105.414 PRESSAVG: 4804400 -24.7179 -18.7429 37.3981 -18.7428 -23.7739 -3.18093 37.3981 -3.18091 3.61734 GPRESSAVG: 4804400 -25.6472 -20.1696 37.2375 -17.7432 -23.0321 -4.14559 40.5256 -2.13576 3.63307 TIMING: 4804400 CPU: 15193.5, 0.00325442/step Wall: 15193.5, 0.00325442/step, 0.176823 hours remaining, 236.183594 MB of memory in use. ENERGY: 4804400 4085.5456 20535.7374 14604.2111 238.5719 -203564.3241 2599.7601 0.0000 0.0000 52462.3136 -109038.1845 301.5016 -161500.4981 -108666.6896 300.2472 -67.2615 -28.7982 762489.3105 -14.9581 -15.0154 PRESSURE: 4804600 -6.23839 -97.4883 204.975 -97.4887 -59.1038 -10.6424 204.974 -10.6422 302.189 GPRESSURE: 4804600 70.1742 -176.198 268.23 -24.0094 -10.8353 48.6764 99.7739 -83.8456 258.552 PRESSAVG: 4804600 11.7667 7.18211 0.903352 7.18211 -17.0741 -7.82004 0.903369 -7.81991 -4.78658 GPRESSAVG: 4804600 13.042 7.77211 2.25827 4.48808 -18.2324 -8.45097 -0.400597 -8.43061 -4.95051 TIMING: 4804600 CPU: 15194.1, 0.00318963/step Wall: 15194.1, 0.00318963/step, 0.173126 hours remaining, 236.183594 MB of memory in use. ENERGY: 4804600 3988.1775 20479.1234 14599.5319 244.5297 -203382.0387 2599.5926 0.0000 0.0000 52092.2029 -109378.8805 299.3746 -161471.0834 -109018.0145 299.8189 78.9490 105.9636 763984.1761 -3.3647 -3.3803 PRESSURE: 4804800 489.441 33.956 50.9004 33.9569 259.582 77.0764 50.8998 77.0768 186.996 GPRESSURE: 4804800 513.229 130.578 146.604 25.7351 420.054 88.75 36.7697 -74.6828 72.2587 PRESSAVG: 4804800 -6.50279 12.2714 52.3426 12.2714 -22.767 -10.4647 52.3426 -10.4647 -14.4363 GPRESSAVG: 4804800 -7.03682 12.5423 50.0756 13.8592 -22.5788 -9.41877 51.1847 -10.7785 -14.3398 TIMING: 4804800 CPU: 15194.8, 0.00320934/step Wall: 15194.8, 0.00320934/step, 0.174017 hours remaining, 236.183594 MB of memory in use. ENERGY: 4804800 4069.2219 20608.0681 14629.6922 237.8628 -204144.5303 3207.2371 0.0000 0.0000 52319.2891 -109073.1592 300.6797 -161392.4482 -108704.5939 300.0220 312.0063 335.1805 761898.9609 -14.5687 -14.6518 PRESSURE: 4805000 60.7991 33.2762 -64.1022 33.2758 -251.188 -104.176 -64.1027 -104.176 -241.226 GPRESSURE: 4805000 140.671 110.419 -69.7886 84.2207 -298.829 -71.6406 -89.9658 -200.907 -185.739 PRESSAVG: 4805000 70.7729 5.40745 90.0314 5.40747 -52.439 6.48483 90.0314 6.48489 -0.267097 GPRESSAVG: 4805000 69.9681 3.16948 91.009 7.36656 -52.1969 5.83172 90.29 6.14768 0.3483 TIMING: 4805000 CPU: 15195.4, 0.00319628/step Wall: 15195.4, 0.00319628/step, 0.173132 hours remaining, 236.183594 MB of memory in use. ENERGY: 4805000 3921.6276 20807.0755 14631.6564 247.8141 -203545.1756 2893.7655 0.0000 0.0000 52052.5357 -108990.7008 299.1466 -161043.2365 -108620.7712 300.0235 -143.8716 -114.6324 763164.1479 6.0223 6.0398 PRESSURE: 4805200 -38.3248 -121.101 -36.5642 -121.101 280.457 -136.404 -36.5643 -136.405 127.801 GPRESSURE: 4805200 59.8533 -160.977 8.30118 -67.7935 264.023 -75.7001 -73.4207 -134.545 118.861 PRESSAVG: 4805200 59.8441 -39.3453 29.3889 -39.3454 -25.302 -0.452354 29.3888 -0.452377 -2.76393 GPRESSAVG: 4805200 60.757 -36.7103 29.9182 -40.8886 -25.5281 -0.118886 28.5699 -0.115676 -3.62588 TIMING: 4805200 CPU: 15196, 0.00319607/step Wall: 15196, 0.00319607/step, 0.172943 hours remaining, 236.183594 MB of memory in use. ENERGY: 4805200 4005.3684 20737.7018 14521.8741 259.6743 -203085.0272 2499.0609 0.0000 0.0000 52200.3339 -108861.0139 299.9960 -161061.3478 -108508.1947 300.5073 123.3111 147.5792 759837.1459 10.5927 10.5344 PRESSURE: 4805400 -124.354 146.737 232.714 146.737 -250.151 101.888 232.714 101.888 -273.747 GPRESSURE: 4805400 -130.424 159.408 193.17 163.618 -144.208 57.8849 217.911 181.411 -294.493 PRESSAVG: 4805400 1.06812 -13.5473 15.7142 -13.5473 25.7861 6.87489 15.7142 6.87483 -12.3649 GPRESSAVG: 4805400 0.558268 -14.7547 13.9924 -12.4772 25.76 6.46444 18.1727 7.36887 -12.0927 TIMING: 4805400 CPU: 15196.7, 0.00317571/step Wall: 15196.7, 0.00317571/step, 0.171665 hours remaining, 236.183594 MB of memory in use. ENERGY: 4805400 4083.4308 20836.1601 14472.2115 252.9950 -203791.2329 2957.2753 0.0000 0.0000 52137.6064 -109051.5539 299.6355 -161189.1603 -108680.3226 300.2075 -216.0842 -189.7083 760894.5629 4.8298 4.7419 PRESSURE: 4805600 146.314 -161.956 158.005 -161.957 93.3455 -23.7873 158.004 -23.7864 -72.8867 GPRESSURE: 4805600 175.819 -92.8131 214.012 -176.494 33.1665 38.8931 202.401 -77.1977 43.2231 PRESSAVG: 4805600 27.6 -37.1337 12.1345 -37.1337 -56.3232 -10.1388 12.1345 -10.1388 -1.48961 GPRESSAVG: 4805600 27.2897 -37.3512 12.3336 -37.7042 -56.8512 -9.24411 12.5928 -10.3622 -0.963937 TIMING: 4805600 CPU: 15197.3, 0.0031757/step Wall: 15197.3, 0.0031757/step, 0.171488 hours remaining, 236.183594 MB of memory in use. ENERGY: 4805600 3931.7913 20708.7965 14599.6501 274.2369 -203512.1340 2808.5721 0.0000 0.0000 52306.9440 -108882.1432 300.6087 -161189.0872 -108522.1209 300.6951 55.5909 84.0694 761517.4232 -10.0709 -10.1751 PRESSURE: 4805800 -34.4219 20.9256 -155.521 20.9242 20.7815 214.44 -155.522 214.44 126.354 GPRESSURE: 4805800 40.2004 38.184 -28.7923 143.4 128.215 182.375 -120.2 80.0005 53.7382 PRESSAVG: 4805800 -30.6795 -20.3099 10.2675 -20.3098 16.845 -37.5064 10.2675 -37.5064 27.4676 GPRESSAVG: 4805800 -30.9873 -20.9838 13.8291 -19.8681 18.0064 -37.649 8.14272 -38.346 26.1843 TIMING: 4805800 CPU: 15198, 0.00317097/step Wall: 15198, 0.00317097/step, 0.171056 hours remaining, 236.183594 MB of memory in use. ENERGY: 4805800 4040.5329 20625.3492 14521.6209 249.4533 -203499.1974 2794.0881 0.0000 0.0000 52637.5369 -108630.6162 302.5086 -161268.1530 -108259.5824 301.4156 37.5711 74.0512 762025.2213 4.5444 4.4011 PRESSURE: 4806000 -286.472 -40.1275 -159.031 -40.1277 -323.452 212.378 -159.032 212.378 136.186 GPRESSURE: 4806000 -203.086 -76.5013 -117.347 -140.538 -178.434 111.164 -135.3 192.939 0.349865 PRESSAVG: 4806000 60.9661 18.2619 28.7966 18.262 -44.9244 -5.01845 28.7966 -5.01846 13.6519 GPRESSAVG: 4806000 61.2225 20.0098 26.4885 18.2995 -44.7578 -4.2336 28.4478 -5.49773 13.287 TIMING: 4806000 CPU: 15198.6, 0.00315297/step Wall: 15198.6, 0.00315297/step, 0.16991 hours remaining, 236.183594 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: 4806000 3949.3265 20609.1756 14540.9084 232.1956 -203029.7402 2497.5155 0.0000 0.0000 52287.7109 -108912.9078 300.4982 -161200.6187 -108551.2416 300.6605 -157.9129 -127.0569 763579.7380 9.8979 9.9173 PRESSURE: 4806200 231.358 -322.168 -6.46263 -322.168 84.4268 120.911 -6.46313 120.911 18.0005 GPRESSURE: 4806200 193.534 -268.077 -86.0463 -310.048 196.648 266.803 91.4252 87.1796 14.7786 PRESSAVG: 4806200 30.7514 -92.4572 -50.1999 -92.4572 -50.2149 -37.6178 -50.2 -37.6178 -2.61342 GPRESSAVG: 4806200 30.6978 -93.173 -50.8637 -92.1782 -49.8303 -39.3237 -47.1577 -34.844 -2.50509 TIMING: 4806200 CPU: 15199.2, 0.00317472/step Wall: 15199.2, 0.00317472/step, 0.170906 hours remaining, 236.183594 MB of memory in use. ENERGY: 4806200 4000.8758 20768.5003 14697.7746 246.6796 -203484.9843 2584.9889 0.0000 0.0000 52091.1330 -109095.0321 299.3685 -161186.1651 -108738.6579 300.3536 111.2618 134.9869 761291.6559 -7.3590 -7.2125 PRESSURE: 4806400 -81.8983 -71.6858 -37.3505 -71.6866 -2.63618 -39.0371 -37.3507 -39.0375 -299.754 GPRESSURE: 4806400 -82.3499 13.6058 -60.4728 -104.698 -22.4503 -106.175 -42.5564 -77.5749 -208.436 PRESSAVG: 4806400 47.3151 -54.024 12.8368 -54.0239 -64.8974 -6.78943 12.8367 -6.78948 -19.978 GPRESSAVG: 4806400 48.1991 -52.7963 14.0828 -55.0439 -66.7678 -4.74273 10.1463 -8.70815 -19.5656 TIMING: 4806400 CPU: 15199.9, 0.00318381/step Wall: 15199.9, 0.00318381/step, 0.171218 hours remaining, 236.183594 MB of memory in use. ENERGY: 4806400 3973.7874 20699.2899 14607.8461 250.2483 -203749.7827 2655.3259 0.0000 0.0000 52384.3088 -109178.9762 301.0533 -161563.2850 -108813.4994 300.2124 -128.0962 -104.4120 761789.9930 -12.5201 -12.7114 PRESSURE: 4806600 293.828 -263.223 381.405 -263.225 587.243 55.1109 381.405 55.1106 293.221 GPRESSURE: 4806600 350.093 -199.45 268.98 -230.835 592.016 36.3193 380.359 -45.9013 334.331 PRESSAVG: 4806600 21.0368 -18.298 83.8144 -18.298 -17.9755 16.4036 83.8144 16.4036 -3.87793 GPRESSAVG: 4806600 19.0263 -18.7394 82.8013 -17.5749 -17.3534 14.3621 84.4902 16.5289 -2.86136 TIMING: 4806600 CPU: 15200.5, 0.00318457/step Wall: 15200.5, 0.00318457/step, 0.171082 hours remaining, 236.183594 MB of memory in use. ENERGY: 4806600 4005.3947 20419.4891 14595.6664 249.9284 -203522.8880 3026.7925 0.0000 0.0000 52001.1532 -109224.4637 298.8513 -161225.6169 -108859.2122 299.8478 391.4307 425.4799 762507.8995 -0.2722 -0.3961 PRESSURE: 4806800 212.712 -238.907 75.2327 -238.908 -279.06 60.1128 75.2325 60.1133 111.003 GPRESSURE: 4806800 136.49 -92.2069 140.536 -182.729 -140.002 126.643 -145.265 44.8458 123.46 PRESSAVG: 4806800 40.835 -20.1342 -4.09616 -20.1342 19.1225 -23.3511 -4.09615 -23.3511 -9.43289 GPRESSAVG: 4806800 42.4409 -19.7383 -4.15344 -22.9615 19.4583 -20.9613 -5.56528 -23.3463 -10.9823 TIMING: 4806800 CPU: 15201.1, 0.00317446/step Wall: 15201.1, 0.00317446/step, 0.170363 hours remaining, 236.183594 MB of memory in use. ENERGY: 4806800 3938.0693 20606.1308 14567.7443 233.9410 -203180.9619 2451.2605 0.0000 0.0000 52115.6033 -109268.2126 299.5091 -161383.8158 -108899.6879 299.0600 14.8850 39.9828 763980.8681 16.8415 16.9723 PRESSURE: 4807000 343.463 201.164 -77.8682 201.164 20.1883 -137.338 -77.868 -137.338 -16.7246 GPRESSURE: 4807000 332.46 81.7902 -9.34488 181.724 65.6193 -106.575 -125.312 -136.989 45.4935 PRESSAVG: 4807000 15.9491 -33.0797 5.74755 -33.0798 -95.978 17.5504 5.74756 17.5504 13.2984 GPRESSAVG: 4807000 16.6491 -33.3408 6.34071 -33.3129 -97.4678 16.5523 4.21855 18.9394 13.9768 TIMING: 4807000 CPU: 15201.8, 0.00318675/step Wall: 15201.8, 0.00318675/step, 0.170845 hours remaining, 236.183594 MB of memory in use. ENERGY: 4807000 4029.3421 20474.2530 14579.7784 254.7667 -203214.9761 2656.2877 0.0000 0.0000 51975.9604 -109244.5879 298.7066 -161220.5483 -108870.8168 298.9494 115.6422 147.8574 762883.8191 -22.2435 -22.2806 PRESSURE: 4807200 214.772 -65.4014 -1.36879 -65.4014 25.0298 123.608 -1.36892 123.608 -194.913 GPRESSURE: 4807200 233.715 -50.8453 4.26275 -40.034 102.897 126.692 -61.9506 104.323 -192.635 PRESSAVG: 4807200 59.5421 -34.155 25.5621 -34.1549 -40.0506 41.6356 25.5621 41.6355 -10.6256 GPRESSAVG: 4807200 58.2286 -35.1394 25.3856 -30.8284 -37.7031 39.8219 28.1623 42.3357 -11.3661 TIMING: 4807200 CPU: 15202.4, 0.00316928/step Wall: 15202.4, 0.00316928/step, 0.169733 hours remaining, 236.183594 MB of memory in use. ENERGY: 4807200 3957.0040 20659.4694 14522.8457 249.7676 -203186.9273 2583.8969 0.0000 0.0000 52400.1088 -108813.8349 301.1441 -161213.9438 -108450.5265 300.5692 14.9630 47.9926 760476.2850 2.9553 3.0531 PRESSURE: 4807400 -133.961 -161.052 274.888 -161.052 -198.572 134.329 274.889 134.329 61.1274 GPRESSURE: 4807400 -114.516 -66.3328 304.214 -91.4876 -182.78 210.07 182.395 69.7965 103.28 PRESSAVG: 4807400 76.6498 -33.3987 14.5534 -33.3987 -68.0512 40.2414 14.5534 40.2415 6.13527 GPRESSAVG: 4807400 77.9245 -33.236 15.0236 -34.6802 -69.9331 42.4692 14.7031 37.8452 6.83777 TIMING: 4807400 CPU: 15203, 0.00318189/step Wall: 15203, 0.00318189/step, 0.170231 hours remaining, 236.183594 MB of memory in use. ENERGY: 4807400 3993.7734 20534.6211 14517.6794 255.2972 -203089.8751 2592.1442 0.0000 0.0000 52249.0257 -108947.3342 300.2759 -161196.3598 -108581.0271 300.7890 -90.4684 -64.6717 761966.3898 4.9113 4.9431 PRESSURE: 4807600 91.1629 -8.27956 -65.8887 -8.28006 327.329 -91.6667 -65.8886 -91.6664 297.318 GPRESSURE: 4807600 137.216 -5.89757 -151.805 38.3579 291.23 -75.3934 40.4015 -71.0951 364.392 PRESSAVG: 4807600 35.4549 -27.4635 15.8757 -27.4635 -65.5212 26.1188 15.8756 26.1188 1.94917 GPRESSAVG: 4807600 34.5081 -25.9975 14.8561 -26.5565 -64.7333 24.7949 15.4469 25.5389 2.73083 TIMING: 4807600 CPU: 15203.7, 0.00317373/step Wall: 15203.7, 0.00317373/step, 0.169619 hours remaining, 236.183594 MB of memory in use. ENERGY: 4807600 4055.7436 20593.5049 14472.2192 258.3142 -203125.0635 2558.1083 0.0000 0.0000 52359.5352 -108827.6382 300.9110 -161187.1734 -108456.0597 300.2377 238.6032 264.2794 760707.7519 -9.3724 -9.1648 PRESSURE: 4807800 -149.911 88.428 -97.1822 88.4284 99.6221 73.8952 -97.1821 73.8951 -166.209 GPRESSURE: 4807800 -164.074 -91.752 -118.779 196.385 176.626 65.3268 -46.3368 149.441 -165.444 PRESSAVG: 4807800 45.1042 5.79556 -27.6986 5.79558 -35.5219 -91.5086 -27.6986 -91.5086 34.4535 GPRESSAVG: 4807800 45.8716 3.99946 -27.3575 7.25121 -35.5391 -91.5541 -27.2921 -89.5669 33.8372 TIMING: 4807800 CPU: 15204.3, 0.00315836/step Wall: 15204.3, 0.00315836/step, 0.168621 hours remaining, 236.183594 MB of memory in use. ENERGY: 4807800 4054.0205 20665.1955 14591.7180 251.0622 -202945.3914 2460.7493 0.0000 0.0000 52221.8521 -108700.7937 300.1197 -160922.6459 -108342.0185 300.5600 -72.1661 -50.9642 761315.7172 14.6786 14.7232 PRESSURE: 4808000 -17.882 68.6597 64.1297 68.6598 56.2862 -298.227 64.1295 -298.227 -349.662 GPRESSURE: 4808000 -38.9695 32.0761 107.185 64.2473 172.056 -217.285 -72.3471 -328.684 -335.625 PRESSAVG: 4808000 -24.9821 -12.0843 40.1047 -12.0842 47.6736 -8.88417 40.1047 -8.88416 -15.925 GPRESSAVG: 4808000 -25.3057 -11.5162 40.9761 -12.5322 47.9379 -7.04037 39.9394 -10.8084 -16.1483 TIMING: 4808000 CPU: 15204.9, 0.00317526/step Wall: 15204.9, 0.00317526/step, 0.169347 hours remaining, 236.183594 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: 4808000 3984.7196 20630.7765 14532.8804 229.7776 -203157.7353 2668.0459 0.0000 0.0000 52349.0732 -108762.4621 300.8508 -161111.5352 -108396.8391 300.9514 -103.7526 -67.5129 759735.3251 2.2555 2.1613 PRESSURE: 4808200 147.245 173.08 -65.5408 173.08 32.6885 -307.677 -65.5409 -307.677 -150.899 GPRESSURE: 4808200 202.374 228.295 -93.6777 164.581 -17.69 -356.047 17.8944 -217.944 -84.5492 PRESSAVG: 4808200 18.8868 -41.0156 29.828 -41.0156 -21.2409 -9.23343 29.828 -9.23341 -3.60321 GPRESSAVG: 4808200 19.3003 -41.7298 30.1292 -41.9667 -21.5966 -10.3348 30.1545 -8.19171 -3.81531 TIMING: 4808200 CPU: 15205.6, 0.00317441/step Wall: 15205.6, 0.00317441/step, 0.169125 hours remaining, 236.183594 MB of memory in use. ENERGY: 4808200 3932.8373 20683.5477 14434.0251 236.6759 -202889.3160 2494.9560 0.0000 0.0000 52195.3451 -108911.9290 299.9674 -161107.2741 -108554.1469 300.9659 9.6781 33.3782 762195.5775 -1.9858 -2.0372 LDB: ============= START OF LOAD BALANCING ============== 15218.1 LDB: ============== END OF LOAD BALANCING =============== 15218.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15218.1 LDB: ============= START OF LOAD BALANCING ============== 15218.4 LDB: Largest compute 7077 load 0.035995 is 18.4% of average load 0.195703 LDB: Average compute 0.004382 is 2.2% of average load 0.195703 LDB: TIME 15218.4 LOAD: AVG 0.195703 MAX 0.216683 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.824 MB LDB: TIME 15218.4 LOAD: AVG 0.195703 MAX 0.216683 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.895 MB LDB: TIME 15218.4 LOAD: AVG 0.195703 MAX 0.216683 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.895 MB LDB: ============== END OF LOAD BALANCING =============== 15218.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15218.4 PRESSURE: 4808400 -228.519 81.033 -80.4306 81.0335 -110.216 59.8343 -80.4302 59.834 85.1655 GPRESSURE: 4808400 -178.077 54.0749 -48.2399 -8.76676 -53.6752 28.1488 -7.67418 84.0701 73.586 PRESSAVG: 4808400 -22.5303 4.16732 -24.3151 4.16726 -5.08898 -25.5758 -24.3151 -25.5759 -2.12021 GPRESSAVG: 4808400 -23.7958 8.38709 -26.3777 2.152 -4.00222 -26.1204 -24.9703 -24.9257 -1.52338 TIMING: 4808400 CPU: 15206.2, 0.00324615/step Wall: 15206.2, 0.00324615/step, 0.172767 hours remaining, 236.242188 MB of memory in use. ENERGY: 4808400 3987.0648 20381.3288 14524.4367 263.1698 -202827.6784 2539.2271 0.0000 0.0000 52203.1902 -108929.2610 300.0125 -161132.4512 -108559.1211 300.1142 -84.5231 -52.7222 761571.6175 -9.9132 -9.7738 PRESSURE: 4808600 300.256 8.3115 -7.80246 8.31169 43.5718 27.0371 -7.802 27.0361 185.932 GPRESSURE: 4808600 246.957 -20.0067 51.9274 -37.1621 141.475 50.2598 77.3181 -22.035 243.712 PRESSAVG: 4808600 2.49266 4.49796 0.0625561 4.49805 -56.9722 41.5467 0.0625617 41.5467 10.9661 GPRESSAVG: 4808600 3.75686 2.19932 3.1124 4.393 -57.0347 41.3939 -0.228684 42.7287 10.1608 TIMING: 4808600 CPU: 15206.9, 0.00317385/step Wall: 15206.9, 0.00317385/step, 0.168743 hours remaining, 236.484375 MB of memory in use. ENERGY: 4808600 3949.8418 20581.2800 14503.2264 260.8039 -203241.6571 2652.2072 0.0000 0.0000 52370.3981 -108923.8997 300.9734 -161294.2978 -108569.1025 299.9399 176.5863 210.7147 760943.9524 -14.5045 -14.3723 PRESSURE: 4808800 -250.984 -143.593 -29.3983 -143.593 -284.749 -345.047 -29.3979 -345.048 -243.547 GPRESSURE: 4808800 -186.72 -173.588 -31.2188 -254.368 -279.684 -266.247 1.69078 -229.329 -222.044 PRESSAVG: 4808800 -15.2675 -12.4416 -17.9458 -12.4416 16.3496 12.8354 -17.9457 12.8354 -25.0346 GPRESSAVG: 4808800 -15.5192 -11.577 -18.7853 -11.8646 16.204 13.6831 -17.9218 13.6557 -24.9338 TIMING: 4808800 CPU: 15207.5, 0.00316336/step Wall: 15207.5, 0.00316336/step, 0.16801 hours remaining, 236.785156 MB of memory in use. ENERGY: 4808800 4003.4543 20478.8861 14497.6808 275.1343 -202690.4986 2326.2423 0.0000 0.0000 52174.0639 -108935.0369 299.8451 -161109.1007 -108568.6915 300.4779 -259.7601 -229.4826 763614.7937 -7.9842 -8.0830 PRESSURE: 4809000 -183.154 -30.0803 171.487 -30.0803 -470.758 -54.7901 171.487 -54.7903 -464.487 GPRESSURE: 4809000 -208.74 66.5148 204.026 -33.4121 -399.059 -18.8051 168.195 -34.3135 -408.774 PRESSAVG: 4809000 -22.5197 -38.6779 -4.2608 -38.6779 0.535466 -10.8236 -4.26083 -10.8235 -12.2754 GPRESSAVG: 4809000 -22.4701 -39.0891 -5.01293 -38.8158 1.34226 -10.1272 -2.12779 -12.6331 -12.5185 TIMING: 4809000 CPU: 15208.1, 0.00319047/step Wall: 15208.1, 0.00319047/step, 0.169272 hours remaining, 236.890625 MB of memory in use. ENERGY: 4809000 4059.6114 20438.5547 14542.2981 256.9086 -202878.1594 2434.8431 0.0000 0.0000 52374.9587 -108770.9848 300.9996 -161145.9435 -108413.9393 299.8935 -372.7997 -338.8575 761749.7000 -11.4199 -11.2154 PRESSURE: 4809200 -130.392 43.4765 36.8549 43.4763 60.9652 -71.6707 36.8544 -71.6711 669.816 GPRESSURE: 4809200 -110.691 -62.5569 65.123 2.20938 111.873 -74.8301 3.83846 -77.9137 668.756 PRESSAVG: 4809200 -27.9718 -22.7031 -22.2439 -22.7031 -25.1116 -33.8515 -22.2439 -33.8514 1.02436 GPRESSAVG: 4809200 -28.5524 -25.2888 -21.6349 -21.9733 -25.2366 -33.6326 -24.2627 -32.7253 1.3615 TIMING: 4809200 CPU: 15208.8, 0.00317663/step Wall: 15208.8, 0.00317663/step, 0.168361 hours remaining, 236.890625 MB of memory in use. ENERGY: 4809200 3922.0466 20413.9700 14569.2139 264.6947 -203016.2600 2586.5649 0.0000 0.0000 52395.7936 -108863.9763 301.1193 -161259.7699 -108503.0775 300.1690 200.1300 223.3129 761150.9497 -17.3530 -17.4758 PRESSURE: 4809400 -143.492 2.96638 16.6855 2.96568 -232.856 -114.145 16.6855 -114.145 -238.663 GPRESSURE: 4809400 -158.902 74.1207 -20.9945 -11.4766 -174.995 -142.023 174.684 -200.926 -206.188 PRESSAVG: 4809400 24.6267 -3.86549 -8.07269 -3.86546 10.184 -21.2489 -8.07273 -21.249 -4.51492 GPRESSAVG: 4809400 25.7746 -0.94888 -8.65 -3.95703 8.56094 -20.3183 -5.4127 -24.7731 -4.89917 TIMING: 4809400 CPU: 15209.4, 0.00317894/step Wall: 15209.4, 0.00317894/step, 0.168307 hours remaining, 236.890625 MB of memory in use. ENERGY: 4809400 4038.2560 20534.1393 14504.2924 290.3125 -203192.5781 2537.4997 0.0000 0.0000 52039.7094 -109248.3688 299.0729 -161288.0782 -108898.6641 299.1268 -205.0033 -180.0286 762576.3063 10.0986 9.8121 PRESSURE: 4809600 -173.217 156.807 -240.377 156.807 -56.0108 2.52463 -240.377 2.52507 -246.986 GPRESSURE: 4809600 -93.2176 161.927 -157.007 77.9929 -65.9808 29.7593 -193.387 16.3451 -237.234 PRESSAVG: 4809600 -17.6718 4.39949 -8.68815 4.39951 7.0134 34.3369 -8.68809 34.3368 -17.6097 GPRESSAVG: 4809600 -19.0894 2.47715 -9.78577 4.83036 9.06518 31.6067 -10.9675 37.79 -18.1419 TIMING: 4809600 CPU: 15210, 0.00321358/step Wall: 15210, 0.00321358/step, 0.169963 hours remaining, 236.890625 MB of memory in use. ENERGY: 4809600 3931.8321 20384.9763 14559.3721 244.7629 -202773.2388 2501.9118 0.0000 0.0000 51914.9529 -109235.4306 298.3559 -161150.3835 -108874.6196 299.2522 -158.7378 -132.1441 761796.7454 -9.4227 -9.3887 PRESSURE: 4809800 -196.021 -80.5337 134.757 -80.5332 141.628 -51.5612 134.758 -51.5609 173.374 GPRESSURE: 4809800 -91.3313 -100.508 202.604 -84.2796 158.252 -72.6875 131.143 -49.7112 137.023 PRESSAVG: 4809800 24.1119 19.027 14.7903 19.027 -24.2608 -4.1266 14.7903 -4.12662 1.375 GPRESSAVG: 4809800 24.3227 18.3005 14.763 20.1493 -25.7971 -2.27556 11.6266 -4.70273 1.94211 TIMING: 4809800 CPU: 15210.7, 0.00319864/step Wall: 15210.7, 0.00319864/step, 0.168995 hours remaining, 236.890625 MB of memory in use. ENERGY: 4809800 3918.6294 20426.0887 14529.1222 266.0654 -202753.1869 2317.6325 0.0000 0.0000 52072.1891 -109223.4597 299.2596 -161295.6488 -108867.9293 298.9248 39.6605 67.9812 761813.0206 0.4087 0.1559 PRESSURE: 4810000 -164.83 92.1364 -198.925 92.1365 -62.9386 -70.5015 -198.925 -70.5032 255.933 GPRESSURE: 4810000 -206.043 77.5518 -258.022 2.97153 48.916 -59.3215 -107.06 -72.0017 262.759 PRESSAVG: 4810000 20.0477 47.989 -2.4909 47.989 -42.0257 12.2078 -2.49081 12.2078 16.8894 GPRESSAVG: 4810000 19.2319 48.4512 -1.259 47.3407 -41.4788 13.3497 0.643261 11.7593 17.3486 TIMING: 4810000 CPU: 15211.3, 0.00319962/step Wall: 15211.3, 0.00319962/step, 0.168869 hours remaining, 236.890625 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: 4810000 3914.2561 20392.5225 14491.3780 250.6871 -203239.4140 2661.8902 0.0000 0.0000 52128.7176 -109399.9625 299.5845 -161528.6801 -109039.8129 298.9133 9.3881 35.2108 761938.9732 -1.6962 -1.6328 PRESSURE: 4810200 434.278 207.751 80.556 207.751 188.211 20.918 80.5559 20.9173 287.115 GPRESSURE: 4810200 425.282 159.059 24.3729 65.2987 279.626 15.1088 198.214 169.178 294.995 PRESSAVG: 4810200 -33.0615 95.7395 26.5719 95.7395 39.9712 -40.0805 26.5719 -40.0805 -3.0751 GPRESSAVG: 4810200 -32.0031 97.0133 26.6079 93.2554 39.7073 -41.7014 24.7523 -37.5576 -3.82731 TIMING: 4810200 CPU: 15212, 0.00318663/step Wall: 15212, 0.00318663/step, 0.168006 hours remaining, 236.890625 MB of memory in use. ENERGY: 4810200 3856.6065 20422.3708 14536.6424 251.2816 -203485.6591 2796.0366 0.0000 0.0000 52029.7855 -109592.9356 299.0159 -161622.7211 -109235.0898 298.4699 303.2014 333.3008 761889.5341 1.2782 1.2923 PRESSURE: 4810400 -53.0797 -176.74 -81.2371 -176.739 44.0521 -95.8074 -81.2363 -95.8075 433.06 GPRESSURE: 4810400 9.74251 -93.2895 -63.3463 -73.3131 106.002 -141.712 -86.7732 -100.515 396.324 PRESSAVG: 4810400 51.5808 2.21096 -7.48924 2.21097 -51.6439 -32.1152 -7.48922 -32.1152 -9.23843 GPRESSAVG: 4810400 51.3747 0.333946 -8.86274 4.56015 -52.172 -32.2118 -5.93604 -33.7415 -9.15906 TIMING: 4810400 CPU: 15212.6, 0.00317604/step Wall: 15212.6, 0.00317604/step, 0.167272 hours remaining, 236.890625 MB of memory in use. ENERGY: 4810400 3951.6815 20583.0893 14540.2029 228.8182 -203520.6283 2662.0389 0.0000 0.0000 51980.4061 -109574.3914 298.7321 -161554.7974 -109215.0683 298.6147 141.3441 170.6897 762983.6518 -3.1005 -3.3188 PRESSURE: 4810600 98.9871 -115.656 120.731 -115.656 104.661 -39.7839 120.731 -39.7842 377.923 GPRESSURE: 4810600 128.312 -99.3756 105.581 -8.33345 249.107 -179.327 68.4452 14.7822 302.952 PRESSAVG: 4810600 24.2541 -32.6846 7.51172 -32.6846 17.1661 -23.4363 7.5118 -23.4363 -21.5868 GPRESSAVG: 4810600 23.3593 -30.5295 7.21627 -33.4593 18.4511 -24.4929 7.41523 -25.2289 -21.3735 TIMING: 4810600 CPU: 15213.2, 0.00319151/step Wall: 15213.2, 0.00319151/step, 0.167909 hours remaining, 236.890625 MB of memory in use. ENERGY: 4810600 4045.8497 20407.0088 14440.8602 232.0962 -203367.1707 2513.0978 0.0000 0.0000 52107.8656 -109620.3923 299.4646 -161728.2579 -109270.1043 298.7596 193.8571 226.7905 759067.0785 6.6111 6.8123 PRESSURE: 4810800 -212.872 -107.069 43.4169 -107.069 -42.857 -274.815 43.4168 -274.816 -769.26 GPRESSURE: 4810800 -122.444 -37.5974 139.931 -36.2569 -107.757 -212.645 44.9304 -228.941 -720.012 PRESSAVG: 4810800 7.9857 -21.8753 -32.4603 -21.8752 -0.481007 -32.6427 -32.4602 -32.6427 24.8007 GPRESSAVG: 4810800 8.59251 -23.4929 -29.8568 -20.8742 0.374779 -31.9039 -33.2213 -31.0117 22.4951 TIMING: 4810800 CPU: 15213.9, 0.00320089/step Wall: 15213.9, 0.00320089/step, 0.168225 hours remaining, 236.890625 MB of memory in use. ENERGY: 4810800 3896.7990 20405.4490 14539.5531 273.6929 -203411.0979 2321.5553 0.0000 0.0000 52271.3647 -109702.6839 300.4043 -161974.0486 -109347.6685 298.4851 -341.6630 -316.7376 761217.3430 10.7685 10.4875 PRESSURE: 4811000 63.7499 -78.1151 -152.137 -78.1148 293.089 -15.0691 -152.136 -15.0699 209.248 GPRESSURE: 4811000 206.7 -149.172 -123.271 -59.9533 253.682 2.07983 -267.329 -65.2343 192.603 PRESSAVG: 4811000 -12.3311 -5.13049 -2.85619 -5.13048 42.772 -29.429 -2.85615 -29.4291 -6.19563 GPRESSAVG: 4811000 -10.8294 -4.95694 -4.88492 -4.92349 39.6555 -28.3749 -3.99746 -32.4494 -5.02399 TIMING: 4811000 CPU: 15214.5, 0.00319167/step Wall: 15214.5, 0.00319167/step, 0.167563 hours remaining, 236.890625 MB of memory in use. ENERGY: 4811000 3926.6718 20638.3637 14548.8632 229.5041 -203682.5873 2841.2024 0.0000 0.0000 51966.5653 -109531.4168 298.6526 -161497.9821 -109177.6087 298.8410 188.6956 217.6615 761893.9663 8.0817 7.9340 PRESSURE: 4811200 48.0611 -101.141 -43.8325 -101.142 -328.13 67.9924 -43.8318 67.9925 -16.136 GPRESSURE: 4811200 145.254 -95.4994 -109.072 -222.554 -283.639 67.227 17.5642 13.7145 -75.094 PRESSAVG: 4811200 19.059 -18.8285 -7.60189 -18.8285 -25.0497 5.9595 -7.60188 5.95952 12.1712 GPRESSAVG: 4811200 17.8645 -19.9427 -7.99038 -19.3219 -23.6394 5.68582 -5.36167 8.02913 12.2677 TIMING: 4811200 CPU: 15215.1, 0.00316765/step Wall: 15215.1, 0.00316765/step, 0.166126 hours remaining, 236.890625 MB of memory in use. ENERGY: 4811200 3956.2198 20624.1822 14515.1240 265.5604 -203124.0357 2300.2518 0.0000 0.0000 51876.9265 -109585.7710 298.1374 -161462.6975 -109227.3059 298.7248 -98.7351 -71.1597 759351.5706 2.0601 2.1643 PRESSURE: 4811400 45.5463 -84.4136 16.5846 -84.4131 -28.6543 102.551 16.5848 102.551 369.701 GPRESSURE: 4811400 32.3477 -37.6665 13.9426 -8.20568 -2.38909 19.6477 -116.209 81.2523 429.69 PRESSAVG: 4811400 -29.7611 -30.7257 11.1841 -30.7257 44.56 -43.4818 11.1841 -43.4818 -11.5216 GPRESSAVG: 4811400 -29.1651 -29.5917 13.1719 -31.101 43.9427 -43.3643 8.8581 -42.7252 -10.9326 TIMING: 4811400 CPU: 15215.8, 0.00315282/step Wall: 15215.8, 0.00315282/step, 0.165173 hours remaining, 236.890625 MB of memory in use. ENERGY: 4811400 4057.0139 20648.2090 14499.3946 258.2157 -203524.3922 2773.2663 0.0000 0.0000 51900.7337 -109387.5589 298.2742 -161288.2926 -109036.7485 298.8806 128.8643 153.2163 762183.6625 1.0924 1.2817 PRESSURE: 4811600 149.397 45.7656 -51.5314 45.767 21.7334 -26.6923 -51.5315 -26.6931 -188.874 GPRESSURE: 4811600 132.54 -89.3999 -115.389 61.6128 78.4343 111.867 34.3727 -2.49263 -168.719 PRESSAVG: 4811600 -14.9555 35.8661 -38.1859 35.8662 28.8799 -58.7938 -38.1858 -58.7939 0.853432 GPRESSAVG: 4811600 -16.2658 36.65 -41.0584 35.8752 29.6379 -59.5627 -37.13 -59.2221 1.2636 TIMING: 4811600 CPU: 15216.4, 0.0031692/step Wall: 15216.4, 0.0031692/step, 0.165855 hours remaining, 236.960938 MB of memory in use. ENERGY: 4811600 3943.6429 20440.0689 14466.8479 244.1970 -203362.7370 2733.9305 0.0000 0.0000 52218.3872 -109315.6628 300.0998 -161534.0500 -108938.4201 299.3536 -5.9143 14.0851 760989.8020 4.9259 4.8786 PRESSURE: 4811800 -20.6968 -18.9281 -83.3647 -18.9275 108.078 72.728 -83.3643 72.7283 163.52 GPRESSURE: 4811800 -9.29446 23.2967 -136.906 44.4998 173.834 67.293 -149.25 -42.2763 175.687 PRESSAVG: 4811800 -40.0373 -15.6595 -24.7874 -15.6595 5.93684 21.2812 -24.7874 21.2811 2.44956 GPRESSAVG: 4811800 -39.3678 -16.5783 -23.3631 -17.5751 5.46672 21.3895 -23.6236 20.0143 3.14178 TIMING: 4811800 CPU: 15217, 0.00317549/step Wall: 15217, 0.00317549/step, 0.166008 hours remaining, 236.960938 MB of memory in use. ENERGY: 4811800 3956.1883 20524.9956 14586.6371 247.8234 -203746.1018 2751.5221 0.0000 0.0000 52090.1273 -109588.8079 299.3627 -161678.9352 -109221.6620 299.2823 83.6340 113.4087 759989.1661 -10.5503 -10.2531 PRESSURE: 4812000 -144.693 72.269 360.267 72.2684 -178.127 9.08648 360.267 9.08659 78.5465 GPRESSURE: 4812000 -124.426 73.865 321.65 76.3954 -142.202 20.645 299.323 41.5884 98.2888 PRESSAVG: 4812000 -28.0338 -4.19615 29.9202 -4.19618 52.663 5.12142 29.9202 5.12141 28.1729 GPRESSAVG: 4812000 -28.1611 -4.58926 29.4418 -3.09042 52.7747 4.00517 28.5245 6.31866 27.7365 TIMING: 4812000 CPU: 15217.7, 0.00316441/step Wall: 15217.7, 0.00316441/step, 0.165253 hours remaining, 236.960938 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: 4812000 3967.5518 20457.9115 14570.0818 233.4097 -203351.1219 2533.0624 0.0000 0.0000 52100.4132 -109488.6914 299.4218 -161589.1046 -109117.7720 298.9289 -81.4245 -56.1131 760777.7087 17.6007 17.4500 PRESSURE: 4812200 -41.9858 25.3357 92.8939 25.3357 313.276 -2.16524 92.8945 -2.1649 -187.662 GPRESSURE: 4812200 28.5792 66.963 89.312 -4.61094 267.828 -131.06 26.8434 -76.1629 -131.579 PRESSAVG: 4812200 50.2645 -15.0147 -52.175 -15.0147 -53.8349 -3.37533 -52.175 -3.37528 2.1938 GPRESSAVG: 4812200 50.6242 -13.7387 -51.6921 -15.4914 -53.5343 -3.09745 -53.472 -3.63222 1.41951 TIMING: 4812200 CPU: 15218.3, 0.00316293/step Wall: 15218.3, 0.00316293/step, 0.164999 hours remaining, 236.960938 MB of memory in use. ENERGY: 4812200 3983.1273 20490.2020 14543.8770 267.5546 -203310.1960 2470.3531 0.0000 0.0000 52316.5428 -109238.5392 300.6639 -161555.0820 -108866.6339 299.8326 27.8761 54.9427 759880.4086 -0.4588 -0.4969 LDB: ============= START OF LOAD BALANCING ============== 15230.8 LDB: ============== END OF LOAD BALANCING =============== 15230.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15230.8 LDB: ============= START OF LOAD BALANCING ============== 15231.2 LDB: Largest compute 7026 load 0.036027 is 18.4% of average load 0.195621 LDB: Average compute 0.004381 is 2.2% of average load 0.195621 LDB: TIME 15231.2 LOAD: AVG 0.195621 MAX 0.216186 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.883 MB LDB: TIME 15231.2 LOAD: AVG 0.195621 MAX 0.216186 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: TIME 15231.2 LOAD: AVG 0.195621 MAX 0.216186 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.887 MB LDB: ============== END OF LOAD BALANCING =============== 15231.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15231.2 PRESSURE: 4812400 147.631 -128.934 -372.42 -128.934 178.955 -109.361 -372.42 -109.362 -35.3709 GPRESSURE: 4812400 135.86 -102.02 -332.003 -53.9294 139.775 -77.0455 -407.13 -98.4426 75.8336 PRESSAVG: 4812400 4.31324 -2.53692 -136.299 -2.53686 -48.0803 -17.8826 -136.299 -17.8826 -6.62135 GPRESSAVG: 4812400 3.51329 -3.30212 -137.304 -2.4025 -48.2682 -17.0891 -134.616 -17.6808 -5.65732 TIMING: 4812400 CPU: 15219, 0.00323253/step Wall: 15219, 0.00323253/step, 0.168451 hours remaining, 235.417969 MB of memory in use. ENERGY: 4812400 4015.2965 20656.0737 14543.4907 249.2687 -203323.9340 2498.2573 0.0000 0.0000 52215.5103 -109146.0367 300.0833 -161361.5470 -108790.5615 299.9088 97.0715 117.1560 759906.8632 -16.7961 -16.8041 PRESSURE: 4812600 209.628 242.263 -21.8956 242.263 60.7066 133.109 -21.895 133.109 -354.308 GPRESSURE: 4812600 227.554 151.603 -74.7947 224.809 134.722 140.918 -91.7745 98.4872 -379.735 PRESSAVG: 4812600 22.3685 -25.7379 -28.8526 -25.7378 -28.7292 -11.4367 -28.8526 -11.4366 25.1127 GPRESSAVG: 4812600 22.6281 -28.3959 -28.2595 -26.2384 -28.8357 -11.6561 -31.2231 -12.848 24.8572 TIMING: 4812600 CPU: 15219.6, 0.00319805/step Wall: 15219.6, 0.00319805/step, 0.166476 hours remaining, 235.562500 MB of memory in use. ENERGY: 4812600 3951.0949 20637.6676 14588.8710 260.4329 -203342.6680 2568.6102 0.0000 0.0000 52183.9057 -109152.0856 299.9016 -161335.9913 -108784.2395 300.1263 -27.9909 -5.8197 760667.6574 6.2507 6.2165 PRESSURE: 4812800 -389.451 32.3372 55.3582 32.3368 -220.473 -205.196 55.3581 -205.196 -37.3134 GPRESSURE: 4812800 -366.325 3.60412 100.398 75.6701 -169.085 -285.772 65.4252 -212.766 -35.0865 PRESSAVG: 4812800 22.5915 -34.5244 -6.94077 -34.5245 -14.404 -6.90777 -6.94075 -6.90769 -27.0417 GPRESSAVG: 4812800 24.3552 -32.1441 -5.29041 -32.9689 -15.1695 -5.1207 -4.72719 -6.9406 -28.2227 TIMING: 4812800 CPU: 15220.2, 0.00319199/step Wall: 15220.2, 0.00319199/step, 0.165983 hours remaining, 235.601562 MB of memory in use. ENERGY: 4812800 4057.1835 20625.7791 14556.9098 247.6767 -203184.0336 2378.5752 0.0000 0.0000 51982.7201 -109335.1893 298.7454 -161317.9094 -108967.5877 299.7113 -215.7458 -190.1652 762135.9558 -6.2847 -6.3457 PRESSURE: 4813000 -61.3257 79.5065 -115.382 79.5067 -224.193 129.467 -115.382 129.465 -263.718 GPRESSURE: 4813000 33.7126 188.84 -36.5485 -69.956 -265.696 57.2482 -132.757 154.911 -244.191 PRESSAVG: 4813000 -56.0324 6.3611 -52.8617 6.36108 22.7717 24.5575 -52.8617 24.5575 7.19307 GPRESSAVG: 4813000 -56.2818 7.37195 -54.0545 5.88473 21.5928 22.616 -53.9481 26.2198 8.37857 TIMING: 4813000 CPU: 15220.9, 0.00318131/step Wall: 15220.9, 0.00318131/step, 0.165251 hours remaining, 235.601562 MB of memory in use. ENERGY: 4813000 4013.0551 20681.0096 14528.7418 247.0374 -202915.3296 2273.4089 0.0000 0.0000 51614.9188 -109557.1579 296.6316 -161172.0767 -109203.7884 298.8565 -183.0789 -158.7249 762198.3365 -8.6892 -8.7701 PRESSURE: 4813200 -74.1367 273.973 -384.641 273.973 -10.2294 8.02344 -384.64 8.02229 83.0861 GPRESSURE: 4813200 -88.5799 141.763 -369.883 310.259 62.1156 47.714 -430.673 18.2261 108.432 PRESSAVG: 4813200 -19.7036 8.85997 -62.7786 8.85996 -19.594 -0.365449 -62.7786 -0.365401 -12.4032 GPRESSAVG: 4813200 -21.1528 9.3085 -63.6113 6.30364 -17.9031 1.2554 -60.9323 -1.91744 -12.0466 TIMING: 4813200 CPU: 15221.5, 0.00317084/step Wall: 15221.5, 0.00317084/step, 0.164531 hours remaining, 235.601562 MB of memory in use. ENERGY: 4813200 3896.5647 20599.2486 14568.2730 262.6211 -203455.7727 2615.9995 0.0000 0.0000 52002.4517 -109510.6141 298.8588 -161513.0658 -109153.5195 298.5095 -0.4266 27.3226 760275.7974 -17.2336 -17.0342 PRESSURE: 4813400 304.87 125.779 -7.49313 125.779 -30.0008 -190.825 -7.49379 -190.824 292.281 GPRESSURE: 4813400 413.409 107.238 -38.6784 27.3258 -21.8095 -143.004 119.205 -115.297 277.425 PRESSAVG: 4813400 34.3279 24.2123 -11.2251 24.2123 -1.10928 20.9167 -11.2252 20.9167 0.00317558 GPRESSAVG: 4813400 35.3074 22.262 -11.1017 26.1289 -0.763295 19.9146 -12.2591 21.0895 -1.38886 TIMING: 4813400 CPU: 15222.1, 0.00317319/step Wall: 15222.1, 0.00317319/step, 0.164477 hours remaining, 235.601562 MB of memory in use. ENERGY: 4813400 3917.2709 20378.4545 14553.9599 245.3757 -203331.6578 2733.8783 0.0000 0.0000 51979.5761 -109523.1423 298.7273 -161502.7184 -109144.8117 299.1580 189.0503 223.0081 759548.5397 11.0739 11.0517 PRESSURE: 4813600 199.767 26.8557 45.3836 26.8568 -194.307 9.58427 45.3834 9.58502 -557.837 GPRESSURE: 4813600 188.584 -33.7619 14.8482 96.3129 -154.131 -4.49727 127.403 -56.4963 -500.544 PRESSAVG: 4813600 38.5986 -7.30288 -40.3136 -7.30288 -5.66611 -22.6971 -40.3135 -22.6971 -21.6998 GPRESSAVG: 4813600 40.0877 -7.24244 -40.4998 -9.57235 -6.19199 -22.7065 -38.0284 -22.5614 -22.1236 TIMING: 4813600 CPU: 15222.8, 0.00319052/step Wall: 15222.8, 0.00319052/step, 0.165198 hours remaining, 235.667969 MB of memory in use. ENERGY: 4813600 4019.3213 20481.9609 14504.2283 256.4655 -203280.0114 2567.7608 0.0000 0.0000 51831.3131 -109618.9615 297.8753 -161450.2746 -109249.5895 298.6614 -184.1256 -155.3639 760911.7097 3.7442 3.9240 PRESSURE: 4813800 -228.104 105.878 77.1724 105.878 -67.2481 -148.496 77.1707 -148.496 -21.7322 GPRESSURE: 4813800 -190.992 249.224 92.6571 177.959 -31.4436 -110.88 -9.97053 -65.1235 -13.6259 PRESSAVG: 4813800 69.3099 32.8045 0.508953 32.8045 4.77777 -8.06061 0.50895 -8.06057 10.9774 GPRESSAVG: 4813800 68.5229 34.8362 1.28658 35.4904 4.58092 -6.65326 -0.926463 -9.90534 12.401 TIMING: 4813800 CPU: 15223.4, 0.00316802/step Wall: 15223.4, 0.00316802/step, 0.163857 hours remaining, 235.667969 MB of memory in use. ENERGY: 4813800 3995.6415 20415.4864 14510.7719 238.6315 -202873.0296 2466.2741 0.0000 0.0000 51714.5446 -109531.6796 297.2042 -161246.2242 -109162.5891 298.4320 -105.6949 -78.6871 761655.2094 28.3550 28.5016 PRESSURE: 4814000 -248.736 30.1398 -58.7307 30.1397 -90.7292 280.052 -58.7301 280.052 -461.792 GPRESSURE: 4814000 -274.252 -85.0356 -111.925 27.1182 -61.2818 280.546 -74.5975 234.794 -403.718 PRESSAVG: 4814000 12.7579 13.7066 -21.9686 13.7065 -29.1641 8.29996 -21.9686 8.3 1.88275 GPRESSAVG: 4814000 11.9392 10.7962 -22.6407 14.8333 -29.5134 8.08368 -23.9911 8.76538 2.81129 TIMING: 4814000 CPU: 15224, 0.00317456/step Wall: 15224, 0.00317456/step, 0.164019 hours remaining, 235.871094 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: 4814000 3984.4504 20593.2713 14564.4082 282.5511 -203387.3850 2511.6194 0.0000 0.0000 52120.5613 -109330.5233 299.5376 -161451.0846 -108967.2777 298.8221 -267.0858 -246.4172 761702.5987 -4.8412 -4.9210 PRESSURE: 4814200 108.762 -69.5189 -91.3755 -69.5186 -22.8759 -18.3227 -91.3743 -18.3217 -10.1858 GPRESSURE: 4814200 90.408 -45.8924 -89.172 -70.6535 98.9776 -26.5943 -154.129 -13.9106 -20.592 PRESSAVG: 4814200 -40.7202 7.45885 -10.4386 7.4588 53.0227 -31.7396 -10.4387 -31.7395 6.72272 GPRESSAVG: 4814200 -40.4516 8.18655 -9.73281 4.22495 53.4599 -32.2341 -9.41119 -31.3087 5.9918 TIMING: 4814200 CPU: 15224.7, 0.00315947/step Wall: 15224.7, 0.00315947/step, 0.163064 hours remaining, 235.871094 MB of memory in use. ENERGY: 4814200 3988.3772 20548.4748 14559.9122 241.0150 -203188.8043 2485.3848 0.0000 0.0000 51935.5622 -109430.0779 298.4744 -161365.6402 -109056.4640 299.4915 25.2334 56.2646 760951.1930 6.3417 6.3334 PRESSURE: 4814400 -92.571 -39.82 -49.1841 -39.8205 24.5757 -160.696 -49.184 -160.695 -31.3005 GPRESSURE: 4814400 -2.97995 -112.985 56.5798 51.1243 81.0333 -268.149 -72.3057 3.89288 -78.5721 PRESSAVG: 4814400 -5.05764 -0.287677 -14.5745 -0.287661 -11.1885 -51.9879 -14.5746 -51.9879 -8.56925 GPRESSAVG: 4814400 -5.02264 -0.368165 -13.9486 1.26312 -9.72018 -53.253 -13.0056 -50.7901 -9.52299 TIMING: 4814400 CPU: 15225.3, 0.00318572/step Wall: 15225.3, 0.00318572/step, 0.164242 hours remaining, 235.871094 MB of memory in use. ENERGY: 4814400 4062.4227 20576.2822 14539.6466 262.6089 -203250.3726 2374.7821 0.0000 0.0000 51984.3713 -109450.2589 298.7549 -161434.6303 -109083.7703 298.9000 -33.0986 -0.1729 760171.1909 -8.2718 -8.0886 PRESSURE: 4814600 115.169 -215.901 -88.6037 -215.901 56.772 116.742 -88.6042 116.741 242.106 GPRESSURE: 4814600 191.389 -170.139 -112.268 -152.401 37.6949 138.845 -128.898 46.5624 271.164 PRESSAVG: 4814600 19.4393 -31.4656 10.1854 -31.4656 -14.6707 66.1946 10.1854 66.1945 3.92144 GPRESSAVG: 4814600 20.76 -31.3416 9.44826 -32.4469 -17.9287 66.8474 8.48128 64.7651 5.21945 TIMING: 4814600 CPU: 15225.9, 0.00316602/step Wall: 15225.9, 0.00316602/step, 0.16305 hours remaining, 235.871094 MB of memory in use. ENERGY: 4814600 4056.7811 20600.4578 14527.1223 239.2987 -203775.4237 2781.1405 0.0000 0.0000 51844.4277 -109726.1957 297.9506 -161570.6234 -109358.9323 298.8486 138.0159 166.7491 759430.4738 2.8967 2.6836 PRESSURE: 4814800 -272.014 -179.219 101.545 -179.219 -324.048 78.0861 101.545 78.0849 10.0331 GPRESSURE: 4814800 -254.314 -140.988 99.4632 -96.578 -173.853 106.179 172.272 103.115 -58.743 PRESSAVG: 4814800 62.3923 -4.25609 7.22683 -4.25608 -64.7555 38.1063 7.22685 38.1063 11.9085 GPRESSAVG: 4814800 61.5185 -4.44154 6.92992 -3.37663 -62.3332 38.3232 8.92086 38.1447 10.9933 TIMING: 4814800 CPU: 15226.6, 0.00317384/step Wall: 15226.6, 0.00317384/step, 0.163277 hours remaining, 235.871094 MB of memory in use. ENERGY: 4814800 3993.5939 20576.6029 14514.8157 243.3714 -203655.9971 2838.3260 0.0000 0.0000 51948.7741 -109540.5131 298.5503 -161489.2872 -109175.7173 298.5744 -195.3432 -162.3033 761462.4750 3.1818 3.3929 PRESSURE: 4815000 -90.1113 0.0403991 -156.926 0.039386 -188.36 -34.0297 -156.925 -34.029 -0.713536 GPRESSURE: 4815000 33.3555 -63.6353 -165.452 -46.2581 -204.789 -30.4051 -180.769 39.9227 -26.6539 PRESSAVG: 4815000 -13.3991 9.31218 -14.7457 9.31221 -6.05908 30.3268 -14.7457 30.3267 15.8399 GPRESSAVG: 4815000 -12.4678 8.67911 -13.999 9.83814 -7.3713 29.0633 -13.188 31.8911 15.9226 TIMING: 4815000 CPU: 15227.2, 0.00315493/step Wall: 15227.2, 0.00315493/step, 0.162128 hours remaining, 235.871094 MB of memory in use. ENERGY: 4815000 4049.6051 20521.9754 14557.2122 240.8628 -203428.9645 2642.9034 0.0000 0.0000 52039.8169 -109376.5887 299.0735 -161416.4056 -109016.5859 298.8633 -93.0616 -66.0290 761606.6440 -1.2061 -1.3055 PRESSURE: 4815200 -40.2988 -91.6923 -53.7758 -91.6924 -63.5669 10.4529 -53.7749 10.4532 -135.416 GPRESSURE: 4815200 -2.33621 -123.505 -2.95938 -40.4461 -30.9562 -18.8831 165.071 41.9939 -135.635 PRESSAVG: 4815200 11.6017 -46.0571 -11.1815 -46.0571 -17.6088 7.93901 -11.1815 7.93905 -9.11032 GPRESSAVG: 4815200 11.1274 -44.9469 -11.7069 -47.8563 -17.2781 6.85703 -12.2675 6.86023 -9.0943 TIMING: 4815200 CPU: 15227.8, 0.0031669/step Wall: 15227.8, 0.0031669/step, 0.162567 hours remaining, 235.871094 MB of memory in use. ENERGY: 4815200 4007.1818 20489.4415 14557.2669 260.0425 -203576.6559 2687.7237 0.0000 0.0000 52086.7496 -109488.2498 299.3433 -161574.9994 -109128.5149 298.7378 -79.7606 -56.3093 762895.0066 -5.0391 -5.0817 PRESSURE: 4815400 -82.8027 159.351 34.994 159.35 -59.1371 -25.1044 34.9937 -25.1044 -158.224 GPRESSURE: 4815400 -2.76661 131.389 -15.2885 168.89 -56.248 -5.4217 110.505 21.0106 -141.839 PRESSAVG: 4815400 -15.7577 -38.495 -7.66412 -38.4951 31.5419 -7.17143 -7.66407 -7.17146 -9.71429 GPRESSAVG: 4815400 -17.0719 -39.9541 -7.42931 -38.311 32.6704 -6.14232 -7.50173 -6.93588 -9.79744 TIMING: 4815400 CPU: 15228.5, 0.00321334/step Wall: 15228.5, 0.00321334/step, 0.164773 hours remaining, 235.871094 MB of memory in use. ENERGY: 4815400 3975.6546 20551.6300 14525.7986 247.0045 -203612.1535 2762.1474 0.0000 0.0000 51948.9375 -109600.9810 298.5513 -161549.9185 -109251.4065 299.0097 -100.0547 -66.9512 761746.2267 2.0233 1.9337 PRESSURE: 4815600 222.86 -184.783 -113.896 -184.783 223.991 -69.2734 -113.895 -69.2749 115.839 GPRESSURE: 4815600 251.788 -119.441 -78.4942 -95.0728 209.688 -90.3511 -58.7008 33.03 191.142 PRESSAVG: 4815600 54.4883 -42.3841 19.875 -42.3842 0.580145 1.60749 19.8749 1.6075 14.0398 GPRESSAVG: 4815600 55.4067 -40.8757 19.8834 -42.187 -1.37795 3.9964 18.6586 2.62036 15.3751 TIMING: 4815600 CPU: 15229.1, 0.00319768/step Wall: 15229.1, 0.00319768/step, 0.163792 hours remaining, 235.871094 MB of memory in use. ENERGY: 4815600 3938.8641 20483.7290 14548.4540 247.2825 -203721.4259 3080.9618 0.0000 0.0000 51872.8739 -109549.2607 298.1141 -161422.1346 -109178.0309 298.7271 187.5630 217.5393 761128.6609 23.0361 23.1346 PRESSURE: 4815800 113.084 159.439 -135.278 159.439 -314.737 130.645 -135.279 130.645 273.812 GPRESSURE: 4815800 149.896 22.2686 -40.7332 161.907 -235.694 238.917 -109.585 76.4304 236.53 PRESSAVG: 4815800 29.4251 -16.3232 -38.4064 -16.3232 -17.1045 -26.3636 -38.4064 -26.3636 -0.896585 GPRESSAVG: 4815800 29.2466 -17.9144 -39.5297 -16.5277 -15.688 -27.341 -37.2828 -28.4638 -2.10742 TIMING: 4815800 CPU: 15229.8, 0.00318263/step Wall: 15229.8, 0.00318263/step, 0.162845 hours remaining, 235.871094 MB of memory in use. ENERGY: 4815800 4071.6623 20528.9081 14510.6489 246.7902 -203469.8276 2741.0097 0.0000 0.0000 52112.9159 -109257.8926 299.4936 -161370.8085 -108900.5744 299.0485 24.0531 50.2438 760324.6857 3.8080 3.8171 PRESSURE: 4816000 -296.849 71.6915 -181.499 71.6909 -171.527 -45.5591 -181.5 -45.5592 -345.251 GPRESSURE: 4816000 -196.359 75.5516 -244.066 76.9935 -236.684 -53.8689 -150.035 30.3611 -318.895 PRESSAVG: 4816000 39.3293 22.909 -21.8852 22.909 -45.1748 15.5324 -21.8852 15.5324 -11.6652 GPRESSAVG: 4816000 40.2161 24.1222 -20.5804 24.0838 -45.3342 15.7851 -21.9542 15.9575 -12.8628 TIMING: 4816000 CPU: 15230.4, 0.00319739/step Wall: 15230.4, 0.00319739/step, 0.163422 hours remaining, 235.871094 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: 4816000 4033.8774 20599.1142 14530.3422 235.2971 -203217.8189 2347.5240 0.0000 0.0000 52143.9771 -109327.6870 299.6722 -161471.6641 -108960.9812 299.7573 -271.2092 -250.6457 761209.1604 -5.8369 -5.9936 PRESSURE: 4816200 -28.7485 -120.18 76.805 -120.181 50.3436 -64.6572 76.8054 -64.6578 -42.2092 GPRESSURE: 4816200 -47.1936 -173.205 104.232 -115.52 171.367 -99.5946 -3.59478 -100.629 -70.2941 PRESSAVG: 4816200 -52.6029 18.5355 37.444 18.5354 11.9694 -7.90159 37.4439 -7.90165 4.37187 GPRESSAVG: 4816200 -52.7014 16.9115 36.7846 18.8239 12.8147 -10.2011 35.8391 -6.95541 4.05556 TIMING: 4816200 CPU: 15231, 0.00318489/step Wall: 15231, 0.00318489/step, 0.162606 hours remaining, 235.871094 MB of memory in use. ENERGY: 4816200 4046.8860 20657.9943 14553.5198 242.7225 -203189.2007 2530.7120 0.0000 0.0000 51929.6478 -109227.7182 298.4404 -161157.3661 -108881.5055 299.6859 -6.8714 17.9597 761159.7041 -12.0872 -11.9437 LDB: ============= START OF LOAD BALANCING ============== 15243.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15243.6 LDB: =============== DONE WITH MIGRATION ================ 15243.6 LDB: ============= START OF LOAD BALANCING ============== 15243.9 LDB: Largest compute 7060 load 0.034942 is 17.9% of average load 0.195573 LDB: Average compute 0.004376 is 2.2% of average load 0.195573 LDB: TIME 15243.9 LOAD: AVG 0.195573 MAX 0.213228 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.91 MB LDB: TIME 15243.9 LOAD: AVG 0.195573 MAX 0.213228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: TIME 15243.9 LOAD: AVG 0.195573 MAX 0.213228 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.109 MB LDB: ============== END OF LOAD BALANCING =============== 15243.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15243.9 PRESSURE: 4816400 133.401 46.2476 176.51 46.2465 261.189 118.69 176.51 118.688 -273.781 GPRESSURE: 4816400 195.84 14.3633 282.178 -25.574 273.717 155.911 73.2745 122.831 -251.942 PRESSAVG: 4816400 31.4227 -47.173 -17.5249 -47.173 22.7882 14.9762 -17.5249 14.9762 9.89152 GPRESSAVG: 4816400 31.36 -46.1567 -18.0377 -48.971 20.9556 15.4416 -16.3123 15.3901 11.5132 TIMING: 4816400 CPU: 15231.7, 0.00322994/step Wall: 15231.7, 0.00322994/step, 0.164727 hours remaining, 236.609375 MB of memory in use. ENERGY: 4816400 4055.0931 20505.7465 14467.2797 251.7414 -203429.5523 2781.9793 0.0000 0.0000 52180.4159 -109187.2965 299.8816 -161367.7124 -108831.7423 300.0799 40.2700 72.5382 761200.3094 21.3675 21.2763 PRESSURE: 4816600 54.3612 -218.708 -7.39122 -218.708 105.121 -111.342 -7.39203 -111.342 314.245 GPRESSURE: 4816600 150.666 -155.221 -70.9136 -162.172 86.6647 -30.0436 128.356 -168.914 317.207 PRESSAVG: 4816600 -22.2064 -10.6329 -7.36777 -10.6329 -6.77648 20.4218 -7.36781 20.4218 -4.50286 GPRESSAVG: 4816600 -22.9461 -11.574 -5.36898 -9.59406 -5.98604 22.6681 -6.96577 19.6116 -4.29556 TIMING: 4816600 CPU: 15232.3, 0.00319499/step Wall: 15232.3, 0.00319499/step, 0.162767 hours remaining, 237.003906 MB of memory in use. ENERGY: 4816600 3993.4982 20561.4318 14482.1404 258.1081 -203348.7705 2813.1960 0.0000 0.0000 52110.4725 -109129.9235 299.4796 -161240.3960 -108774.1793 299.7380 157.9090 184.8459 761826.7234 -11.1619 -11.0759 PRESSURE: 4816800 248.336 279.207 82.1067 279.207 209.776 -19.0895 82.1072 -19.0888 227.121 GPRESSURE: 4816800 303.605 241.002 92.3773 332.278 186.046 -39.4064 25.3024 -82.743 289.401 PRESSAVG: 4816800 -48.7643 -7.37452 -39.9055 -7.37445 25.4346 -18.5841 -39.9055 -18.5841 11.9972 GPRESSAVG: 4816800 -48.3941 -5.04056 -42.6967 -8.11071 26.0917 -20.8781 -40.7012 -17.4541 10.9879 TIMING: 4816800 CPU: 15233, 0.00320895/step Wall: 15233, 0.00320895/step, 0.1633 hours remaining, 237.003906 MB of memory in use. ENERGY: 4816800 3934.4434 20595.1048 14465.5140 266.5125 -203082.6080 2627.7899 0.0000 0.0000 52130.6207 -109062.6227 299.5954 -161193.2434 -108693.3690 299.7273 228.4110 259.6837 761387.6766 -3.7775 -3.7715 PRESSURE: 4817000 -194.119 -36.8575 -140.834 -36.8572 125.511 -31.7512 -140.834 -31.7505 -327.015 GPRESSURE: 4817000 -162.317 7.60536 -153.503 -90.1999 46.9615 -31.979 -3.72364 61.6369 -211.655 PRESSAVG: 4817000 63.1512 -20.6941 -21.1155 -20.6941 -59.4389 -5.96609 -21.1155 -5.96607 22.3475 GPRESSAVG: 4817000 61.8971 -21.3577 -19.7993 -20.1256 -59.7363 -4.68828 -20.1291 -6.59894 23.6968 TIMING: 4817000 CPU: 15233.6, 0.00317863/step Wall: 15233.6, 0.00317863/step, 0.16158 hours remaining, 237.003906 MB of memory in use. ENERGY: 4817000 4050.5620 20717.0371 14483.4861 247.6289 -203355.2481 2706.5644 0.0000 0.0000 52192.8016 -108957.1680 299.9527 -161149.9696 -108592.6631 299.9989 -131.8742 -109.0034 762648.1424 8.6866 8.6192 PRESSURE: 4817200 -35.8045 -206.978 222.041 -206.977 443.248 141.577 222.04 141.576 229.297 GPRESSURE: 4817200 70.0953 -124.03 159.164 -240.603 420.195 93.878 181.036 -14.851 241.203 PRESSAVG: 4817200 5.62245 -8.63292 -30.0845 -8.63291 -11.7131 -0.226649 -30.0844 -0.226573 -23.5327 GPRESSAVG: 4817200 6.19428 -8.20393 -29.2462 -8.4988 -11.7317 -0.58643 -31.7438 -1.66931 -24.1914 TIMING: 4817200 CPU: 15234.2, 0.00318057/step Wall: 15234.2, 0.00318057/step, 0.161502 hours remaining, 237.003906 MB of memory in use. ENERGY: 4817200 3943.4555 20506.9296 14504.8865 233.8494 -203699.0992 2890.6518 0.0000 0.0000 52418.1743 -109201.1522 301.2480 -161619.3265 -108836.7361 300.3808 212.2469 243.8310 759814.9344 -9.8744 -9.9096 PRESSURE: 4817400 163.692 -15.7124 -13.8962 -15.7124 18.6785 -214.215 -13.8962 -214.214 0.981938 GPRESSURE: 4817400 193.912 6.41999 -3.47389 -9.39049 77.5933 -180.351 51.0715 -269.729 -6.2846 PRESSAVG: 4817400 -20.11 -12.2076 -22.8993 -12.2076 26.0135 -33.9695 -22.8993 -33.9695 16.1536 GPRESSAVG: 4817400 -20.3412 -13.9748 -22.5272 -11.7706 26.7976 -34.7664 -23.6913 -32.4786 15.9333 TIMING: 4817400 CPU: 15234.9, 0.0031777/step Wall: 15234.9, 0.0031777/step, 0.16118 hours remaining, 237.003906 MB of memory in use. ENERGY: 4817400 4096.8776 20606.8757 14526.8606 236.0066 -203626.2059 2845.4156 0.0000 0.0000 52175.7454 -109138.4245 299.8547 -161314.1699 -108775.0698 299.6602 61.1175 88.4070 760082.9578 7.3524 7.4632 PRESSURE: 4817600 439.046 -84.411 -29.4483 -84.4106 -110.38 -31.5949 -29.4491 -31.5949 516.577 GPRESSURE: 4817600 489.955 -79.8982 -10.6689 -56.6229 -104.504 -31 -51.1671 -74.1504 547.371 PRESSAVG: 4817600 -16.62 11.9403 5.16139 11.9402 -11.6943 -33.4983 5.16147 -33.4983 22.2372 GPRESSAVG: 4817600 -17.293 13.4891 5.38543 12.2035 -12.4129 -34.2236 5.44886 -33.3627 23.0488 TIMING: 4817600 CPU: 15235.5, 0.00317597/step Wall: 15235.5, 0.00317597/step, 0.160916 hours remaining, 237.003906 MB of memory in use. ENERGY: 4817600 3935.5342 20641.3706 14535.4543 245.9553 -203201.1942 2547.0335 0.0000 0.0000 52079.4565 -109216.3898 299.3014 -161295.8463 -108858.3694 299.7560 281.7477 310.9408 759562.4407 -2.0257 -2.2190 PRESSURE: 4817800 -100.53 82.925 -104.024 82.9249 284.506 -102.111 -104.024 -102.112 -95.4863 GPRESSURE: 4817800 3.19538 7.60106 -130.352 135.442 266.064 -93.1026 45.9618 -74.9909 -92.2642 PRESSAVG: 4817800 26.0267 -72.483 -17.5748 -72.483 -27.7237 -24.8416 -17.5748 -24.8417 0.296173 GPRESSAVG: 4817800 26.3991 -74.4613 -19.2504 -73.603 -27.7018 -24.8552 -16.4336 -25.4806 0.0203522 TIMING: 4817800 CPU: 15236.1, 0.00316175/step Wall: 15236.1, 0.00316175/step, 0.16002 hours remaining, 237.003906 MB of memory in use. ENERGY: 4817800 4016.2111 20625.7134 14541.4059 246.5277 -203427.0203 2496.1646 0.0000 0.0000 52411.6790 -109089.3185 301.2106 -161500.9975 -108717.7300 299.7540 29.4966 58.9983 759845.1341 -0.4669 -0.4274 PRESSURE: 4818000 313.248 141.632 -148.859 141.632 76.1199 240.895 -148.859 240.894 349.055 GPRESSURE: 4818000 345.981 87.792 -154.331 215.255 81.2664 201.794 -179.009 106.084 404.294 PRESSAVG: 4818000 8.82024 -0.834491 -4.841 -0.83452 -8.80099 24.4522 -4.84099 24.4521 13.0043 GPRESSAVG: 4818000 9.15889 2.45114 -4.267 -3.22043 -8.93508 24.9682 -4.95609 25.2105 12.8818 TIMING: 4818000 CPU: 15236.8, 0.00319012/step Wall: 15236.8, 0.00319012/step, 0.161278 hours remaining, 237.003906 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: 4818000 4110.5097 20621.1884 14425.7735 252.2354 -202818.5433 2316.5550 0.0000 0.0000 51814.3914 -109277.8898 297.7780 -161092.2812 -108916.5115 299.7363 246.1408 277.1806 760873.1145 4.3412 4.3685 PRESSURE: 4818200 219.276 -45.1936 89.0327 -45.194 -28.8938 42.0053 89.0323 42.0058 -252.213 GPRESSURE: 4818200 278.735 -23.8899 83.0519 -52.7577 -37.8651 230.102 169.798 -54.7644 -217.374 PRESSAVG: 4818200 -77.016 -6.45275 -16.5587 -6.45277 31.072 -62.149 -16.5587 -62.1489 25.0973 GPRESSAVG: 4818200 -75.9091 -8.6994 -16.6435 -4.54028 31.4349 -62.1029 -16.5843 -62.5417 23.7426 TIMING: 4818200 CPU: 15237.4, 0.00319071/step Wall: 15237.4, 0.00319071/step, 0.161131 hours remaining, 237.003906 MB of memory in use. ENERGY: 4818200 4058.1102 20548.0255 14455.5636 255.7895 -202972.2160 2379.0616 0.0000 0.0000 52033.5722 -109242.0934 299.0377 -161275.6656 -108869.2422 299.1196 -20.6103 7.8318 761786.5661 -6.9489 -6.9105 PRESSURE: 4818400 -38.1571 71.0232 -101.651 71.0224 -76.5234 -130.098 -101.651 -130.098 -154.207 GPRESSURE: 4818400 -91.4319 59.9933 -189.999 77.5301 18.2084 -194.392 -85.1261 -146.21 -108.847 PRESSAVG: 4818400 11.6902 3.44631 -20.608 3.44631 2.81985 -69.6946 -20.6081 -69.6946 -7.8511 GPRESSAVG: 4818400 11.251 5.02275 -20.029 2.26992 2.56538 -70.8492 -21.7242 -68.7401 -6.8103 TIMING: 4818400 CPU: 15238.1, 0.00318115/step Wall: 15238.1, 0.00318115/step, 0.160471 hours remaining, 237.003906 MB of memory in use. ENERGY: 4818400 4043.6279 20658.9770 14456.5238 241.7672 -203291.8275 2563.0367 0.0000 0.0000 52126.6626 -109201.2323 299.5726 -161327.8949 -108856.4398 299.4825 -89.6292 -60.6901 762324.3754 2.2196 2.3354 PRESSURE: 4818600 79.2599 77.2568 148.107 77.2559 -67.7547 -244.923 148.107 -244.923 76.4366 GPRESSURE: 4818600 164.089 112.705 149.264 22.9098 15.7334 -270.517 216.63 -261.346 1.03013 PRESSAVG: 4818600 12.9864 -34.9344 19.5692 -34.9344 -41.9716 -55.5768 19.5692 -55.5768 2.82286 GPRESSAVG: 4818600 12.8959 -36.5461 20.5596 -35.166 -40.9442 -55.9624 18.7069 -55.7873 2.13671 TIMING: 4818600 CPU: 15238.7, 0.00319144/step Wall: 15238.7, 0.00319144/step, 0.160813 hours remaining, 237.207031 MB of memory in use. ENERGY: 4818600 3943.3005 20563.3122 14525.9472 256.9880 -203257.1545 2458.8107 0.0000 0.0000 52151.4745 -109357.3214 299.7152 -161508.7959 -108999.1505 299.4622 29.3139 60.2841 759895.3628 -8.7208 -8.6372 PRESSURE: 4818800 -145.589 11.7039 -217.529 11.7034 -274.48 -178.744 -217.529 -178.744 -137.733 GPRESSURE: 4818800 -155.832 38.015 -252.865 19.6771 -281.92 -189.297 -156.36 -269.565 -34.8038 PRESSAVG: 4818800 -6.80069 -99.8863 0.306767 -99.8863 -47.8796 -27.2521 0.306713 -27.2521 -0.302067 GPRESSAVG: 4818800 -6.66956 -100.117 -1.21003 -97.6476 -48.9668 -24.9786 3.58719 -28.9051 1.16492 TIMING: 4818800 CPU: 15239.3, 0.00318657/step Wall: 15239.3, 0.00318657/step, 0.160391 hours remaining, 237.207031 MB of memory in use. ENERGY: 4818800 4028.3777 20705.3130 14482.9938 242.0811 -203509.8775 2687.3967 0.0000 0.0000 52092.8254 -109270.8898 299.3782 -161363.7151 -108912.2327 299.0378 -185.9342 -157.5185 762317.8492 -18.3274 -18.1571 PRESSURE: 4819000 128.609 -165.832 138.906 -165.832 261.377 -147.053 138.906 -147.054 220.898 GPRESSURE: 4819000 175.002 -267.842 69.4861 -47.3371 321.904 -16.5616 112.635 -90.1195 187.984 PRESSAVG: 4819000 9.53933 5.22335 -44.9863 5.22335 31.926 -50.0507 -44.9864 -50.0507 6.38588 GPRESSAVG: 4819000 10.3072 6.066 -45.9722 3.02325 32.1154 -51.0893 -44.7668 -48.2165 5.62229 TIMING: 4819000 CPU: 15240, 0.00318351/step Wall: 15240, 0.00318351/step, 0.16006 hours remaining, 237.207031 MB of memory in use. ENERGY: 4819000 3943.5768 20578.7157 14484.4053 252.4012 -203538.9563 2867.2826 0.0000 0.0000 52070.8986 -109341.6761 299.2522 -161412.5747 -108973.6329 299.3807 203.6281 228.2969 761145.8114 15.9504 16.0150 PRESSURE: 4819200 112.098 48.1221 -1.64597 48.1218 206.608 163.367 -1.64608 163.367 311.422 GPRESSURE: 4819200 185.873 34.0768 95.1686 46.6458 290.237 168.511 75.2884 19.9249 242.989 PRESSAVG: 4819200 17.1558 -99.6947 -11.2602 -99.6947 -34.7078 -36.3342 -11.2601 -36.3342 11.4379 GPRESSAVG: 4819200 16.4293 -99.4592 -10.9546 -99.9106 -33.2211 -35.5053 -11.6153 -38.629 11.3192 TIMING: 4819200 CPU: 15240.6, 0.00318954/step Wall: 15240.6, 0.00318954/step, 0.160186 hours remaining, 237.207031 MB of memory in use. ENERGY: 4819200 3955.0102 20495.4372 14479.2420 248.2969 -203170.0037 2742.0687 0.0000 0.0000 52100.0477 -109149.9010 299.4197 -161249.9487 -108800.3050 298.9379 210.0429 239.6995 762251.7232 -2.0380 -1.8242 PRESSURE: 4819400 -309.893 -17.4115 -124.14 -17.412 197.83 -93.294 -124.14 -93.2931 33.0327 GPRESSURE: 4819400 -261.078 -160.402 -76.6127 55.8878 221.313 -170.565 -72.473 -71.8602 62.9538 PRESSAVG: 4819400 43.1274 -14.222 -37.3696 -14.222 -31.4209 12.3937 -37.3696 12.3937 -42.903 GPRESSAVG: 4819400 43.7234 -16.5765 -37.5496 -13.1684 -32.8287 11.5509 -37.6438 12.4962 -42.0265 TIMING: 4819400 CPU: 15241.2, 0.00319484/step Wall: 15241.2, 0.00319484/step, 0.160275 hours remaining, 237.207031 MB of memory in use. ENERGY: 4819400 4008.7130 20535.0298 14535.6426 247.8630 -203159.3024 2685.2936 0.0000 0.0000 52058.8992 -109087.8612 299.1832 -161146.7604 -108722.8463 300.2047 -26.3434 7.7294 761603.3390 -10.3988 -10.3773 PRESSURE: 4819600 201.617 -133.134 -52.8007 -133.133 84.54 156.451 -52.8007 156.453 -262.031 GPRESSURE: 4819600 144.673 -232.813 -186.821 -153.146 149.484 178.026 32.2881 99.3166 -168.478 PRESSAVG: 4819600 -2.92725 -4.61492 38.4346 -4.61488 -53.494 66.2217 38.4347 66.2217 21.5078 GPRESSAVG: 4819600 -2.95227 -3.18273 39.9192 -5.31193 -52.4947 64.9743 37.4078 70.4644 20.4177 TIMING: 4819600 CPU: 15241.9, 0.00318128/step Wall: 15241.9, 0.00318128/step, 0.159418 hours remaining, 237.207031 MB of memory in use. ENERGY: 4819600 4061.4642 20516.6884 14447.2238 253.0506 -203310.6533 2776.5169 0.0000 0.0000 52106.6348 -109149.0747 299.4575 -161255.7095 -108791.6594 299.8896 8.0419 41.8928 760223.5701 -11.6378 -11.6765 PRESSURE: 4819800 -113.758 7.4165 -58.7404 7.4168 -183.719 -223.763 -58.7408 -223.762 226.355 GPRESSURE: 4819800 -115.018 -71.2364 -14.9062 -147.815 -31.8732 -219.498 -11.2913 -223.931 161.495 PRESSAVG: 4819800 135.702 -71.9732 9.57434 -71.9732 -43.4764 49.6124 9.57436 49.6124 0.831058 GPRESSAVG: 4819800 136.192 -72.9482 9.30948 -72.2017 -43.6737 51.1741 9.93713 46.4313 1.00593 TIMING: 4819800 CPU: 15242.5, 0.00317247/step Wall: 15242.5, 0.00317247/step, 0.1588 hours remaining, 237.207031 MB of memory in use. ENERGY: 4819800 4002.0950 20642.0034 14517.7451 249.8686 -203046.8668 2561.1519 0.0000 0.0000 51984.2085 -109089.7943 298.7540 -161074.0028 -108727.5751 299.8856 -23.7075 4.8679 762365.3807 31.0187 31.1746 PRESSURE: 4820000 104.029 -66.6369 139.901 -66.6372 436.736 -73.2722 139.901 -73.2715 352.038 GPRESSURE: 4820000 147.468 50.3376 115.213 -83.7574 448.387 -80.2324 64.3467 -118.718 390.526 PRESSAVG: 4820000 56.7533 -26.0085 46.3083 -26.0085 -63.3162 3.73499 46.3083 3.73492 0.672573 GPRESSAVG: 4820000 57.1686 -26.3018 44.719 -26.4319 -64.6244 3.97107 44.9379 5.33183 1.56558 TIMING: 4820000 CPU: 15243.1, 0.00318358/step Wall: 15243.1, 0.00318358/step, 0.159179 hours remaining, 237.207031 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: 4820000 3918.4659 20629.3112 14422.8358 248.9673 -202920.1033 2392.3976 0.0000 0.0000 52162.5499 -109145.5756 299.7789 -161308.1255 -108789.7678 299.7522 297.6010 328.7938 760833.3311 -1.9634 -1.9634 PRESSURE: 4820200 -211.344 189.214 193.098 189.215 -109.795 222.313 193.098 222.313 46.0216 GPRESSURE: 4820200 -141.102 205.812 112.564 135.323 -80.5866 226.438 194.803 242.816 31.5241 PRESSAVG: 4820200 23.9009 -42.7672 17.3297 -42.7672 -15.4789 33.7461 17.3298 33.7462 -0.503001 GPRESSAVG: 4820200 23.7016 -42.1386 19.1952 -40.9614 -15.1851 32.7798 16.238 33.0954 -0.687112 TIMING: 4820200 CPU: 15243.8, 0.00317957/step Wall: 15243.8, 0.00317957/step, 0.158802 hours remaining, 237.207031 MB of memory in use. ENERGY: 4820200 4049.9798 20619.0087 14515.0552 256.7350 -202802.8904 2335.1077 0.0000 0.0000 52032.2485 -108994.7554 299.0300 -161027.0040 -108642.8468 299.6965 -91.7058 -63.3881 763145.9831 2.6397 2.6098 LDB: ============= START OF LOAD BALANCING ============== 15256.3 LDB: ============== END OF LOAD BALANCING =============== 15256.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15256.3 LDB: ============= START OF LOAD BALANCING ============== 15256.6 LDB: Largest compute 7077 load 0.034076 is 17.4% of average load 0.195661 LDB: Average compute 0.004390 is 2.2% of average load 0.195661 LDB: TIME 15256.6 LOAD: AVG 0.195661 MAX 0.214127 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.969 MB LDB: TIME 15256.6 LOAD: AVG 0.195661 MAX 0.214127 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.039 MB LDB: TIME 15256.6 LOAD: AVG 0.195661 MAX 0.214127 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.039 MB LDB: ============== END OF LOAD BALANCING =============== 15256.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15256.7 PRESSURE: 4820400 9.64237 -241.561 254.525 -241.561 42.9749 -108.945 254.525 -108.946 -275.238 GPRESSURE: 4820400 1.59222 -171.284 215.733 -342.927 144.026 -67.295 236.439 5.00478 -262.969 PRESSAVG: 4820400 54.4952 -49.271 34.5164 -49.271 -108.758 15.6539 34.5164 15.6539 -22.6892 GPRESSAVG: 4820400 54.0337 -48.511 34.5478 -50.2867 -108.811 14.7623 35.5699 16.4047 -22.2824 TIMING: 4820400 CPU: 15244.4, 0.00325273/step Wall: 15244.4, 0.00325273/step, 0.162275 hours remaining, 236.960938 MB of memory in use. ENERGY: 4820400 4046.3199 20563.8819 14437.0561 233.3773 -203037.6816 2388.6599 0.0000 0.0000 52366.8092 -109001.5773 300.9528 -161368.3865 -108636.1094 300.1321 -74.2068 -39.1167 761771.7635 -25.6507 -25.6865 PRESSURE: 4820600 117.061 -99.0705 -14.9948 -99.07 61.258 -113.498 -14.995 -113.497 -65.7362 GPRESSURE: 4820600 155.192 2.8647 44.9752 -25.7336 110.111 -215.514 -50.5567 -179.692 -57.0015 PRESSAVG: 4820600 35.5245 -23.6163 -5.85691 -23.6164 -36.4917 -6.32437 -5.85689 -6.32438 -21.4429 GPRESSAVG: 4820600 34.8207 -23.1328 -5.83476 -22.3569 -36.0698 -2.82911 -3.65237 -8.20974 -21.2799 TIMING: 4820600 CPU: 15245.1, 0.00319033/step Wall: 15245.1, 0.00319033/step, 0.158985 hours remaining, 237.203125 MB of memory in use. ENERGY: 4820600 4011.4463 20627.1669 14542.3111 238.8093 -203083.4390 2478.8197 0.0000 0.0000 52170.6325 -109014.2532 299.8253 -161184.8857 -108663.0620 300.0579 37.5276 69.4336 761180.3326 -7.4700 -7.5097 PRESSURE: 4820800 -152.148 -96.6564 -30.3133 -96.6569 -110.21 308.322 -30.3129 308.323 82.9684 GPRESSURE: 4820800 -46.862 -135.397 40.6237 -11.8065 -112.694 233.774 -92.9148 237.656 46.6612 PRESSAVG: 4820800 -8.49374 -36.2303 -2.8185 -36.2302 18.83 40.0066 -2.8185 40.0065 1.60813 GPRESSAVG: 4820800 -7.9552 -35.8513 -3.89118 -36.1342 17.9289 37.9357 -4.00339 42.9985 1.80828 TIMING: 4820800 CPU: 15245.7, 0.00316166/step Wall: 15245.7, 0.00316166/step, 0.15738 hours remaining, 237.203125 MB of memory in use. ENERGY: 4820800 4048.8582 20516.6295 14612.3645 250.0885 -203037.8011 2430.2196 0.0000 0.0000 52305.6858 -108873.9550 300.6015 -161179.6408 -108505.3410 300.2170 -59.7964 -37.6316 760597.0619 3.9815 3.9273 PRESSURE: 4821000 -87.3433 212.091 81.6031 212.091 -48.974 29.2473 81.6025 29.2474 -166.816 GPRESSURE: 4821000 -24.5205 244.778 135.155 66.5143 -27.7422 -3.14792 -17.7161 -38.8143 -162.639 PRESSAVG: 4821000 6.81315 -77.9909 27.7908 -77.9909 2.44983 37.2808 27.7908 37.2808 -46.5371 GPRESSAVG: 4821000 5.98022 -79.5831 29.072 -80.4543 4.43434 36.3174 27.9985 35.1414 -48.0374 TIMING: 4821000 CPU: 15246.3, 0.00317489/step Wall: 15246.3, 0.00317489/step, 0.157863 hours remaining, 237.203125 MB of memory in use. ENERGY: 4821000 4025.2378 20501.9172 14475.5555 241.6509 -203312.1694 2483.2126 0.0000 0.0000 52454.0674 -109130.5281 301.4542 -161584.5955 -108763.9009 300.1917 -101.0444 -71.6339 761212.7772 -12.4247 -12.5409 PRESSURE: 4821200 13.4771 -10.0436 74.0791 -10.0443 -111.541 -177.42 74.0801 -177.419 145.551 GPRESSURE: 4821200 -51.0799 -133.171 99.0242 -27.6992 46.5464 -119.587 29.2193 -137.492 136.999 PRESSAVG: 4821200 -12.116 -58.9768 -18.4614 -58.9769 3.73446 -28.9848 -18.4614 -28.9848 14.1387 GPRESSAVG: 4821200 -12.5018 -59.5493 -18.4498 -55.4844 2.62329 -28.1264 -19.1933 -28.6135 15.0563 TIMING: 4821200 CPU: 15247, 0.00317746/step Wall: 15247, 0.00317746/step, 0.157814 hours remaining, 237.203125 MB of memory in use. ENERGY: 4821200 3979.1610 20514.4956 14414.8445 263.6126 -203203.0273 2542.8151 0.0000 0.0000 52243.4774 -109244.6212 300.2440 -161488.0985 -108878.7078 299.7674 15.8288 44.1551 760050.3535 1.9191 1.7259 PRESSURE: 4821400 -192.144 44.1717 161.486 44.1705 -197.775 75.6292 161.485 75.6289 238.364 GPRESSURE: 4821400 -24.1712 -91.6443 148.844 165.789 -246.999 63.6829 185.243 85.218 198.769 PRESSAVG: 4821400 -18.4189 -86.794 30.752 -86.794 16.1582 -66.3334 30.752 -66.3334 -8.08172 GPRESSAVG: 4821400 -16.6676 -87.0426 30.5537 -86.3877 14.7741 -67.2244 32.3136 -65.2482 -8.05232 TIMING: 4821400 CPU: 15247.6, 0.00316746/step Wall: 15247.6, 0.00316747/step, 0.157141 hours remaining, 237.203125 MB of memory in use. ENERGY: 4821400 3934.2756 20757.6454 14454.5137 243.8067 -203225.0712 2614.9265 0.0000 0.0000 51855.7823 -109364.1210 298.0159 -161219.9033 -109009.8354 299.5990 -50.5185 -24.1335 760482.4434 -3.4475 -3.3153 PRESSURE: 4821600 100.034 -237.16 -223.951 -237.161 -151.17 105.188 -223.952 105.187 -559.061 GPRESSURE: 4821600 111.918 -160.453 -172.756 -206.406 -143.499 139.246 -312.862 175.379 -500.378 PRESSAVG: 4821600 60.625 -79.805 -36.3716 -79.805 -54.2365 -62.0877 -36.3716 -62.0877 1.43955 GPRESSAVG: 4821600 59.25 -78.9448 -37.164 -82.3581 -52.0401 -60.1768 -38.1404 -63.1987 0.699981 TIMING: 4821600 CPU: 15248.2, 0.0031807/step Wall: 15248.2, 0.0031807/step, 0.157622 hours remaining, 237.203125 MB of memory in use. ENERGY: 4821600 4003.6037 20583.0515 14437.1761 251.5714 -203176.7257 2414.6904 0.0000 0.0000 52000.1131 -109486.5195 298.8454 -161486.6325 -109119.7680 299.2974 -203.3990 -177.3197 761034.6648 2.6093 2.6366 PRESSURE: 4821800 -151.132 -183.603 -115.093 -183.604 -275.348 26.8339 -115.092 26.8344 -13.8547 GPRESSURE: 4821800 -85.9237 26.4585 -120.578 -194.372 -239.271 -61.2483 -87.6392 -25.8341 -35.2788 PRESSAVG: 4821800 37.9403 -36.3811 -44.018 -36.381 -28.6278 -23.6076 -44.0179 -23.6076 -9.00435 GPRESSAVG: 4821800 37.8089 -35.4448 -45.6303 -37.5607 -29.5404 -24.1132 -41.3639 -23.314 -8.05494 TIMING: 4821800 CPU: 15248.9, 0.00318575/step Wall: 15248.9, 0.00318575/step, 0.157695 hours remaining, 237.203125 MB of memory in use. ENERGY: 4821800 3960.2577 20599.0829 14463.5222 239.6804 -202923.1574 2077.2103 0.0000 0.0000 51844.6186 -109738.7853 297.9517 -161583.4039 -109371.9449 299.0160 -146.7781 -120.1578 760020.0190 0.1027 0.0712 PRESSURE: 4822000 105.937 -290.687 -49.6358 -290.687 -8.95582 28.2896 -49.6352 28.289 92.8499 GPRESSURE: 4822000 65.191 -327.631 -78.079 -349.023 65.2022 47.587 -76.6956 59.8778 120.364 PRESSAVG: 4822000 -42.9029 -26.6289 35.992 -26.6289 2.18643 1.33176 35.9919 1.33179 -18.4476 GPRESSAVG: 4822000 -41.5433 -26.9825 38.246 -26.8631 0.913473 1.94257 34.3038 0.11733 -18.4716 TIMING: 4822000 CPU: 15249.5, 0.00317478/step Wall: 15249.5, 0.00317478/step, 0.156975 hours remaining, 237.203125 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: 4822000 3989.2350 20398.4988 14435.9847 245.3246 -203939.5408 2873.4416 0.0000 0.0000 52083.6568 -109913.3992 299.3255 -161997.0561 -109549.6934 298.5549 63.2771 83.5858 758632.5960 -19.7214 -19.7005 PRESSURE: 4822200 -119.557 -45.8523 182.105 -45.8515 -245.622 156.567 182.106 156.568 31.5264 GPRESSURE: 4822200 -8.00529 17.8915 189.623 -98.0332 -214.82 175.331 -13.1666 99.4785 -50.2936 PRESSAVG: 4822200 60.7139 -42.1932 -0.343923 -42.1932 -92.1295 -54.2814 -0.343882 -54.2814 -0.346742 GPRESSAVG: 4822200 60.5197 -41.448 -2.48679 -40.4027 -91.0797 -54.8704 -2.77347 -54.9386 -1.48653 TIMING: 4822200 CPU: 15250.2, 0.00317019/step Wall: 15250.2, 0.00317019/step, 0.156572 hours remaining, 237.203125 MB of memory in use. ENERGY: 4822200 4027.3602 20524.2759 14475.0046 254.6078 -203395.9221 2249.7906 0.0000 0.0000 52040.7419 -109824.1412 299.0789 -161864.8831 -109457.2799 297.9595 -111.2175 -91.0396 759799.7921 -10.5875 -10.6822 PRESSURE: 4822400 -101.314 -38.8484 27.1324 -38.8487 -15.3087 -128.276 27.1323 -128.275 80.2778 GPRESSURE: 4822400 -79.9101 -106.333 -12.2704 -39.9726 64.3334 -82.9262 100.534 -217.39 43.0815 PRESSAVG: 4822400 44.0735 -39.5135 -10.0958 -39.5135 -57.1996 2.9142 -10.0958 2.91424 -4.74493 GPRESSAVG: 4822400 43.7849 -40.4078 -10.04 -41.963 -57.1393 3.5991 -6.62547 4.39724 -4.26612 TIMING: 4822400 CPU: 15250.8, 0.0031624/step Wall: 15250.8, 0.0031624/step, 0.156012 hours remaining, 237.203125 MB of memory in use. ENERGY: 4822400 3919.3219 20758.1165 14467.8160 270.0119 -203550.8808 2502.1362 0.0000 0.0000 51914.8767 -109718.6016 298.3555 -161633.4783 -109354.4042 298.4659 -12.1151 9.1683 760094.9979 -5.9570 -5.8735 PRESSURE: 4822600 224.05 -18.6435 73.9061 -18.6432 93.6475 247.708 73.9059 247.709 -197.666 GPRESSURE: 4822600 212.631 10.824 37.7509 -94.958 133.334 224.246 99.9274 211 -145.055 PRESSAVG: 4822600 -4.32852 -74.2587 11.3176 -74.2587 25.807 28.6595 11.3176 28.6595 -4.34387 GPRESSAVG: 4822600 -2.79373 -75.3925 12.5068 -72.1248 23.9643 28.4536 9.65368 27.6463 -4.06507 TIMING: 4822600 CPU: 15251.4, 0.00317339/step Wall: 15251.4, 0.00317339/step, 0.156378 hours remaining, 237.203125 MB of memory in use. ENERGY: 4822600 4022.9071 20525.8675 14521.0797 262.9556 -203864.0751 2886.2885 0.0000 0.0000 51942.1532 -109702.8234 298.5123 -161644.9766 -109352.0403 298.7899 40.0105 66.9701 760768.7529 5.7115 5.7018 PRESSURE: 4822800 -73.8496 28.7423 90.7095 28.7418 -193.412 152.465 90.7094 152.464 98.9673 GPRESSURE: 4822800 -76.2979 91.2363 63.6917 125.077 -202.961 93.1444 166.988 154.077 197.248 PRESSAVG: 4822800 33.1846 -54.1659 24.4071 -54.1658 -10.3298 33.82 24.4071 33.8201 -0.891532 GPRESSAVG: 4822800 31.406 -52.3673 23.546 -53.2976 -8.32657 33.8829 25.6615 35.7519 -0.551829 TIMING: 4822800 CPU: 15252.1, 0.00318325/step Wall: 15252.1, 0.00318325/step, 0.156687 hours remaining, 237.203125 MB of memory in use. ENERGY: 4822800 4028.7397 20443.9472 14438.8251 262.8661 -203310.9300 2534.0988 0.0000 0.0000 51873.9834 -109728.4697 298.1205 -161602.4532 -109355.6555 299.0670 -56.0980 -27.3370 761277.7117 7.3211 7.5092 PRESSURE: 4823000 7.0507 -104.222 250.364 -104.222 -73.1273 -31.79 250.364 -31.7902 -347.406 GPRESSURE: 4823000 80.4373 -97.8631 319.088 -82.4579 -85.0232 -24.9199 185.959 -24.3457 -306.206 PRESSAVG: 4823000 -70.7284 18.4017 52.7455 18.4017 29.7706 14.8689 52.7455 14.8688 6.89126 GPRESSAVG: 4823000 -70.0337 20.4463 54.1208 15.9042 28.8054 14.3763 53.0637 15.7846 7.31 TIMING: 4823000 CPU: 15252.7, 0.00318592/step Wall: 15252.7, 0.00318592/step, 0.156641 hours remaining, 237.203125 MB of memory in use. ENERGY: 4823000 3979.5407 20581.9748 14584.7698 240.2167 -203341.9698 2401.8704 0.0000 0.0000 51904.5969 -109649.0004 298.2964 -161553.5973 -109286.8295 298.6152 -137.8275 -103.5972 760165.4386 -11.3555 -11.3061 PRESSURE: 4823200 174.549 119.843 -169.211 119.844 -136.769 57.0334 -169.212 57.0331 -488.405 GPRESSURE: 4823200 179.599 101.131 -197.527 94.0238 -153.544 20.9466 -131.281 -82.9891 -402.534 PRESSAVG: 4823200 8.7617 -48.3187 80.5173 -48.3187 -49.7369 -46.1877 80.5173 -46.1877 4.61835 GPRESSAVG: 4823200 8.84102 -49.8146 78.4906 -47.5801 -48.9968 -45.1781 81.5602 -48.7143 3.77292 TIMING: 4823200 CPU: 15253.3, 0.00320425/step Wall: 15253.3, 0.00320425/step, 0.157364 hours remaining, 237.203125 MB of memory in use. ENERGY: 4823200 3976.9308 20500.5902 14538.4445 232.4693 -203791.6633 2759.9707 0.0000 0.0000 51894.1398 -109889.1180 298.2363 -161783.2578 -109531.2043 298.4344 -150.2084 -125.4929 759574.8938 -12.1189 -12.1276 PRESSURE: 4823400 -496.633 -85.6445 -87.275 -85.6438 -164.749 93.2102 -87.2744 93.2091 125.014 GPRESSURE: 4823400 -513.659 26.2064 -36.4587 -59.7622 -98.6448 175.742 -190.107 -34.5138 179.153 PRESSAVG: 4823400 -67.8247 -31.1171 -20.053 -31.1171 68.6946 -12.4903 -20.053 -12.4903 -22.0351 GPRESSAVG: 4823400 -67.6082 -32.482 -19.0604 -29.0021 67.5833 -12.107 -22.942 -12.782 -20.9752 TIMING: 4823400 CPU: 15254, 0.00318071/step Wall: 15254, 0.00318071/step, 0.156032 hours remaining, 237.203125 MB of memory in use. ENERGY: 4823400 4002.8201 20327.7716 14541.8473 244.5988 -203318.3391 2494.9127 0.0000 0.0000 51739.3164 -109967.0722 297.3466 -161706.3887 -109605.5581 298.1951 -178.7893 -144.3836 761414.5247 -7.0551 -7.0000 PRESSURE: 4823600 29.0319 273.413 64.6689 273.412 -209.483 42.0671 64.6688 42.0672 128.065 GPRESSURE: 4823600 -22.3658 85.5902 83.2327 203.096 -97.2185 65.158 21.1837 109.688 139.263 PRESSAVG: 4823600 -47.0477 -15.1733 40.7626 -15.1733 27.4056 -3.74352 40.7626 -3.7436 19.1607 GPRESSAVG: 4823600 -47.136 -15.8624 41.5429 -16.3908 29.7492 -4.85439 40.6112 -3.71109 16.9068 TIMING: 4823600 CPU: 15254.6, 0.0031922/step Wall: 15254.6, 0.0031922/step, 0.156418 hours remaining, 237.203125 MB of memory in use. ENERGY: 4823600 3993.4824 20037.4023 14572.9390 254.6112 -203432.3047 2446.1750 0.0000 0.0000 52169.2359 -109958.4590 299.8173 -162127.6950 -109585.7211 297.6302 -17.4620 6.5597 761617.2528 -0.1605 -0.1600 PRESSURE: 4823800 -224.356 -148.674 -92.2984 -148.675 140.599 5.5206 -92.2988 5.52089 -233.96 GPRESSURE: 4823800 -228.354 17.7043 -48.762 -255.205 218.857 -56.8799 -75.1388 -21.4711 -249.964 PRESSAVG: 4823800 -58.4108 -64.383 21.3203 -64.383 31.9793 -4.44372 21.3203 -4.44372 -18.5844 GPRESSAVG: 4823800 -57.4534 -64.6306 21.3907 -66.9533 31.0514 -4.21767 23.3484 -5.42202 -18.0381 TIMING: 4823800 CPU: 15255.2, 0.00317787/step Wall: 15255.2, 0.00317787/step, 0.155539 hours remaining, 237.203125 MB of memory in use. ENERGY: 4823800 3948.6418 20495.0178 14467.0821 224.8975 -203464.0307 2331.7477 0.0000 0.0000 52102.1632 -109894.4806 299.4318 -161996.6438 -109531.8182 298.0992 -105.9053 -86.4873 760390.7011 -15.0053 -14.8133 PRESSURE: 4824000 111.525 119.833 -88.9064 119.833 144.57 82.2873 -88.9061 82.2882 -83.321 GPRESSURE: 4824000 195.457 18.8837 -53.8339 39.4794 114.481 91.1361 -1.78223 133.619 -50.8702 PRESSAVG: 4824000 -52.3434 -21.0621 -19.9252 -21.0621 15.49 26.0858 -19.9252 26.0858 -6.06542 GPRESSAVG: 4824000 -52.3452 -19.4979 -20.2632 -18.2139 14.9835 26.1829 -19.6718 27.8384 -5.37501 TIMING: 4824000 CPU: 15255.9, 0.00318963/step Wall: 15255.9, 0.00318963/step, 0.155938 hours remaining, 237.203125 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: 4824000 3976.8028 20524.9395 14547.8219 245.4271 -203462.8879 2588.1944 0.0000 0.0000 52061.0698 -109518.6323 299.1957 -161579.7022 -109160.4185 298.5228 57.5915 86.3559 760607.5217 -14.3063 -14.2456 PRESSURE: 4824200 22.0559 -231.094 -10.7373 -231.094 219.113 46.8168 -10.7372 46.8183 -145.569 GPRESSURE: 4824200 3.82234 -79.0671 8.61713 -188.197 300.58 22.4068 10.4675 -43.9354 -117.087 PRESSAVG: 4824200 26.4952 -24.2428 -14.2195 -24.2428 -6.59866 86.7286 -14.2195 86.7285 -3.00152 GPRESSAVG: 4824200 24.8926 -24.3245 -14.7835 -24.9102 -5.41648 86.8386 -15.0832 87.7 -2.98732 TIMING: 4824200 CPU: 15256.5, 0.00320104/step Wall: 15256.5, 0.00320104/step, 0.156317 hours remaining, 237.203125 MB of memory in use. ENERGY: 4824200 3976.6613 20475.4904 14500.5254 258.5466 -203053.1847 2423.1197 0.0000 0.0000 51781.9299 -109636.9114 297.5915 -161418.8413 -109285.7555 298.5622 31.8666 62.4385 759267.5139 5.6317 5.4963 LDB: ============= START OF LOAD BALANCING ============== 15269.1 LDB: ============== END OF LOAD BALANCING =============== 15269.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15269.1 LDB: ============= START OF LOAD BALANCING ============== 15269.4 LDB: Largest compute 7026 load 0.034561 is 17.7% of average load 0.195560 LDB: Average compute 0.004378 is 2.2% of average load 0.195560 LDB: TIME 15269.4 LOAD: AVG 0.19556 MAX 0.213052 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.371 MB LDB: TIME 15269.4 LOAD: AVG 0.19556 MAX 0.213052 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: TIME 15269.4 LOAD: AVG 0.19556 MAX 0.213052 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.371 MB LDB: ============== END OF LOAD BALANCING =============== 15269.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15269.4 PRESSURE: 4824400 -373.829 51.4727 -7.66255 51.4733 -94.7638 -235.813 -7.66206 -235.813 90.8191 GPRESSURE: 4824400 -339.759 112.412 -170.804 -25.3969 -45.5319 -293.873 64.5481 -158.786 91.534 PRESSAVG: 4824400 -36.21 -15.4868 24.896 -15.4868 14.5307 12.6273 24.896 12.6273 5.56878 GPRESSAVG: 4824400 -34.1909 -15.5467 25.4454 -15.4363 13.2922 10.4965 26.1857 13.6653 4.88718 TIMING: 4824400 CPU: 15257.2, 0.00324868/step Wall: 15257.2, 0.00324868/step, 0.158463 hours remaining, 235.394531 MB of memory in use. ENERGY: 4824400 3965.4208 20300.3131 14499.7363 248.5657 -203029.5499 2177.0592 0.0000 0.0000 52001.8644 -109836.5904 298.8554 -161838.4548 -109467.7142 298.2410 -125.9246 -97.9190 760716.1638 -5.3702 -5.3371 PRESSURE: 4824600 -271.174 119.418 33.9497 119.417 471.052 303.441 33.9492 303.443 170.627 GPRESSURE: 4824600 -234.072 68.3282 -9.91081 107.008 396.671 280.451 -33.4431 135.39 267.478 PRESSAVG: 4824600 -70.1079 -27.0769 -9.17988 -27.0769 37.8394 -14.5781 -9.17988 -14.5781 -3.72574 GPRESSAVG: 4824600 -70.7808 -27.661 -8.05924 -26.4994 37.8482 -13.4593 -12.9195 -17.7475 -3.42145 TIMING: 4824600 CPU: 15257.8, 0.00316955/step Wall: 15257.8, 0.00316955/step, 0.154428 hours remaining, 235.394531 MB of memory in use. ENERGY: 4824600 3905.3230 20525.7052 14472.3116 247.5473 -203322.9917 2566.7654 0.0000 0.0000 51673.9137 -109931.4254 296.9707 -161605.3391 -109581.0858 297.6947 123.5019 143.3591 761281.7077 -11.9981 -12.1180 PRESSURE: 4824800 -128.989 158.915 -43.4767 158.915 -51.6759 31.8822 -43.4766 31.8807 -125.849 GPRESSURE: 4824800 -147.267 224.498 0.700355 129.535 8.32071 -25.2548 -40.1428 -54.6806 -101.716 PRESSAVG: 4824800 -37.4929 -13.8837 -18.5678 -13.8837 54.5361 -46.4064 -18.5678 -46.4064 -14.7948 GPRESSAVG: 4824800 -38.6362 -14.2272 -19.572 -14.1498 55.5752 -46.1853 -15.3519 -46.2955 -14.6053 TIMING: 4824800 CPU: 15258.4, 0.0031723/step Wall: 15258.4, 0.0031723/step, 0.154385 hours remaining, 235.597656 MB of memory in use. ENERGY: 4824800 3973.0669 20413.7975 14549.6943 244.3443 -203650.9302 2690.2384 0.0000 0.0000 51872.8550 -109906.9338 298.1140 -161779.7888 -109554.3630 298.1921 -102.1714 -80.2208 762435.0935 0.7495 0.7779 PRESSURE: 4825000 -184.161 -222.169 -33.1346 -222.17 62.2544 50.2187 -33.1347 50.2184 263.468 GPRESSURE: 4825000 -112.896 -212.031 -11.9431 -206.595 28.6061 135.032 -107.311 58.4557 292.655 PRESSAVG: 4825000 6.2834 20.3571 9.31745 20.3571 28.4271 -44.5875 9.31742 -44.5875 21.6924 GPRESSAVG: 4825000 7.42981 21.0757 10.1232 19.8902 26.9942 -44.1346 6.75964 -45.2445 21.939 TIMING: 4825000 CPU: 15259.1, 0.00317906/step Wall: 15259.1, 0.00317906/step, 0.154538 hours remaining, 235.664062 MB of memory in use. ENERGY: 4825000 3913.0719 20533.6368 14555.0901 232.3427 -203700.8609 2825.5232 0.0000 0.0000 51867.8752 -109773.3210 298.0854 -161641.1962 -109413.5281 298.3987 47.1869 69.4551 763290.4267 18.8010 18.7877 PRESSURE: 4825200 -23.7379 16.8078 6.46164 16.8078 -88.3418 -51.1685 6.46171 -51.1691 -199.384 GPRESSURE: 4825200 20.0338 -48.2284 50.1592 -38.2709 -2.35459 -64.927 -47.6239 -51.5365 -230.384 PRESSAVG: 4825200 -6.62447 -53.658 2.17153 -53.6579 31.4489 8.897 2.17151 8.89705 21.3838 GPRESSAVG: 4825200 -6.98994 -52.601 3.21427 -53.5024 31.3499 8.40277 4.98301 10.2736 21.3401 TIMING: 4825200 CPU: 15259.7, 0.00317242/step Wall: 15259.7, 0.00317242/step, 0.154039 hours remaining, 235.664062 MB of memory in use. ENERGY: 4825200 3931.1362 20519.2781 14487.7534 239.1773 -203146.0252 2354.7900 0.0000 0.0000 51787.6498 -109826.2404 297.6243 -161613.8902 -109465.5079 298.0803 -103.8214 -70.9014 761824.1786 15.4028 15.2333 PRESSURE: 4825400 -33.1025 -133.28 -187.258 -133.28 423.104 -134.842 -187.258 -134.842 400.734 GPRESSURE: 4825400 32.0765 17.461 -183.714 -193.937 478.757 -89.1021 -100.132 -22.9971 354.183 PRESSAVG: 4825400 -14.1494 25.0804 27.2645 25.0804 -2.20175 11.3066 27.2645 11.3066 18.5154 GPRESSAVG: 4825400 -14.1796 24.8679 25.1946 22.443 -1.1517 11.041 25.73 11.2703 17.0611 TIMING: 4825400 CPU: 15260.3, 0.0031643/step Wall: 15260.3, 0.0031643/step, 0.153469 hours remaining, 235.664062 MB of memory in use. ENERGY: 4825400 3914.4365 20395.2742 14502.9217 267.6188 -203854.0333 2839.0659 0.0000 0.0000 52091.3560 -109843.3603 299.3697 -161934.7163 -109483.7852 297.8423 263.5786 288.3388 760037.8449 0.7214 0.5766 PRESSURE: 4825600 -1.05022 -43.2908 100.91 -43.2904 -371.692 -139.121 100.91 -139.121 -58.2365 GPRESSURE: 4825600 86.6826 -40.5339 87.9971 31.9354 -332.145 -90.1987 12.9043 -238.733 -100.274 PRESSAVG: 4825600 59.3838 -13.871 -71.8547 -13.8709 -32.6739 -2.44124 -71.8547 -2.44124 1.18642 GPRESSAVG: 4825600 59.4116 -14.2645 -70.1077 -12.4187 -33.3566 -0.398542 -71.8311 -2.14364 2.60086 TIMING: 4825600 CPU: 15261, 0.00316088/step Wall: 15261, 0.00316088/step, 0.153127 hours remaining, 235.664062 MB of memory in use. ENERGY: 4825600 3952.2194 20393.8722 14486.8800 242.9736 -203468.5186 2677.2168 0.0000 0.0000 51816.5034 -109898.8532 297.7902 -161715.3566 -109543.3160 298.1223 -143.6597 -115.2454 761073.1176 9.2988 9.5520 PRESSURE: 4825800 230.774 -213.413 -249.04 -213.412 22.5501 19.4026 -249.039 19.4032 61.3213 GPRESSURE: 4825800 191.926 -102.792 -284.784 -98.1895 109.543 66.6724 -255.595 87.561 90.1497 PRESSAVG: 4825800 0.885397 9.33469 -69.5495 9.33477 27.8316 15.4788 -69.5496 15.4787 -0.220728 GPRESSAVG: 4825800 0.598005 8.90313 -68.7805 11.4372 28.2708 15.7655 -69.9628 14.1228 -0.772066 TIMING: 4825800 CPU: 15261.6, 0.00316347/step Wall: 15261.6, 0.00316347/step, 0.153077 hours remaining, 235.867188 MB of memory in use. ENERGY: 4825800 3922.7737 20363.1974 14581.3425 231.6641 -203753.8249 2716.9669 0.0000 0.0000 51951.9340 -109985.9463 298.5685 -161937.8803 -109620.1393 298.1484 104.8817 130.5396 759090.2792 9.4987 9.3656 PRESSURE: 4826000 314.453 -35.9518 10.37 -35.9512 -43.5481 176.66 10.3694 176.659 138.43 GPRESSURE: 4826000 274.304 111.804 46.5583 -54.3963 68.8458 121.348 40.7726 222.192 160.336 PRESSAVG: 4826000 0.346084 -10.0536 -70.4399 -10.0535 -3.43918 21.9302 -70.4399 21.9301 10.3212 GPRESSAVG: 4826000 0.614129 -8.75983 -71.4245 -10.9077 -4.21464 20.3592 -70.7033 24.2845 10.7919 TIMING: 4826000 CPU: 15262.2, 0.00317004/step Wall: 15262.2, 0.00317004/step, 0.153218 hours remaining, 235.867188 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: 4826000 3946.2606 20566.6358 14462.8679 250.2723 -203721.6401 2877.4359 0.0000 0.0000 51759.2836 -109858.8840 297.4613 -161618.1676 -109498.3079 298.2213 136.4451 167.8288 761955.0722 2.4094 2.3971 PRESSURE: 4826200 -220.262 -40.9736 124.741 -40.9741 -46.0366 27.6626 124.741 27.6627 -598.212 GPRESSURE: 4826200 -200.958 -80.1237 141.564 -80.7487 -41.2513 73.4912 152.519 -60.6492 -539.543 PRESSAVG: 4826200 16.1879 9.5442 42.1832 9.54421 -11.3532 24.093 42.1832 24.0928 -11.7823 GPRESSAVG: 4826200 16.7332 8.02954 41.3109 8.27979 -11.7577 24.8873 43.1749 22.7264 -12.2787 TIMING: 4826200 CPU: 15262.9, 0.00317021/step Wall: 15262.9, 0.00317021/step, 0.153051 hours remaining, 235.867188 MB of memory in use. ENERGY: 4826200 3999.8481 20576.0108 14498.3484 247.3746 -203713.1852 2690.0761 0.0000 0.0000 51879.8004 -109821.7268 298.1539 -161701.5272 -109456.1929 298.3463 -288.1703 -260.5841 760061.0070 -2.3158 -2.4344 PRESSURE: 4826400 -134.718 17.9025 -217.173 17.9029 206.439 218.005 -217.173 218.005 285.068 GPRESSURE: 4826400 -86.5395 52.2026 -135.961 28.5583 186.254 168.054 -214.127 217.802 324.613 PRESSAVG: 4826400 4.80108 62.5713 20.1311 62.5713 23.2569 46.9489 20.1311 46.9489 -1.40922 GPRESSAVG: 4826400 4.54233 63.2185 20.6428 63.1108 22.8959 45.5819 21.4034 46.1146 -1.15688 TIMING: 4826400 CPU: 15263.5, 0.00319262/step Wall: 15263.5, 0.00319262/step, 0.153955 hours remaining, 235.867188 MB of memory in use. ENERGY: 4826400 3966.4195 20583.0730 14514.3760 239.6555 -203727.2378 2902.8678 0.0000 0.0000 51746.3117 -109774.5342 297.3868 -161520.8459 -109417.5959 298.3100 118.9297 141.4426 761439.1470 8.8829 8.7605 PRESSURE: 4826600 -112.974 -85.0409 210.636 -85.0408 -116.394 -1.27018 210.635 -1.27007 473.224 GPRESSURE: 4826600 -117.185 -25.1269 153.636 24.0332 -5.92541 56.5436 255.148 -58.7515 460.5 PRESSAVG: 4826600 39.4456 -3.79649 41.1946 -3.79648 -21.6149 9.18684 41.1946 9.18693 -5.52607 GPRESSAVG: 4826600 39.4373 -2.73027 42.1274 -2.86727 -20.3577 9.60638 39.0496 10.888 -5.87299 TIMING: 4826600 CPU: 15264.2, 0.00318384/step Wall: 15264.2, 0.00318384/step, 0.153355 hours remaining, 235.867188 MB of memory in use. ENERGY: 4826600 3985.4511 20386.8630 14553.1365 223.6346 -203768.6979 2929.6653 0.0000 0.0000 52044.6403 -109645.3071 299.1013 -161689.9474 -109280.1221 298.6233 81.2852 112.4631 762328.1411 4.1015 4.4022 PRESSURE: 4826800 -273.526 -77.5876 -80.8033 -77.588 106.396 -160.823 -80.803 -160.824 77.6064 GPRESSURE: 4826800 -255.04 -71.2571 -78.1431 -8.13349 239.694 -97.6243 39.7557 -119.638 6.24441 PRESSAVG: 4826800 20.0585 -14.2748 6.17961 -14.2748 -10.269 -0.976407 6.17963 -0.976365 13.9136 GPRESSAVG: 4826800 20.4579 -15.0353 5.12984 -14.9874 -10.9687 0.478526 7.05479 -2.48521 14.2964 TIMING: 4826800 CPU: 15264.8, 0.00318483/step Wall: 15264.8, 0.00318483/step, 0.153226 hours remaining, 235.867188 MB of memory in use. ENERGY: 4826800 3989.5093 20458.6311 14540.0620 248.2245 -203406.1706 2700.6619 0.0000 0.0000 52012.9156 -109456.1663 298.9189 -161469.0819 -109091.4391 299.1757 -29.8411 -3.0337 762056.6345 7.9010 7.9285 PRESSURE: 4827000 -19.0615 -237.64 -85.2177 -237.64 180.836 -52.755 -85.2183 -52.7547 261.768 GPRESSURE: 4827000 26.5536 -277.845 -181.419 -183.529 145.694 -6.95647 -162.246 48.6021 335.512 PRESSAVG: 4827000 1.44292 -25.7229 48.3425 -25.7229 46.7864 40.3418 48.3424 40.3418 14.5178 GPRESSAVG: 4827000 0.124645 -25.7928 47.3595 -25.676 47.5737 40.4388 50.2624 41.8739 14.9345 TIMING: 4827000 CPU: 15265.4, 0.00318662/step Wall: 15265.4, 0.00318662/step, 0.153135 hours remaining, 235.867188 MB of memory in use. ENERGY: 4827000 3982.1299 20526.0283 14522.3425 234.4090 -203354.0616 2732.2360 0.0000 0.0000 52026.7158 -109330.2002 298.9983 -161356.9160 -108964.7919 299.0045 141.1809 169.2531 761936.0057 20.9157 20.8776 PRESSURE: 4827200 72.8042 31.0614 120.052 31.0617 50.7352 93.8808 120.052 93.8797 235.93 GPRESSURE: 4827200 96.5056 15.4671 -22.9768 70.5273 123.898 62.0039 155.535 9.7089 230.131 PRESSAVG: 4827200 21.393 -65.2078 -40.3247 -65.2078 5.42533 47.9567 -40.3247 47.9567 -10.4152 GPRESSAVG: 4827200 22.2982 -64.3399 -40.4081 -65.6885 4.69141 44.862 -42.2286 48.3301 -10.9283 TIMING: 4827200 CPU: 15266.1, 0.00318924/step Wall: 15266.1, 0.00318924/step, 0.153084 hours remaining, 235.867188 MB of memory in use. ENERGY: 4827200 3985.5733 20539.9280 14493.3822 255.5942 -203277.2762 2877.7890 0.0000 0.0000 52075.1080 -109049.9016 299.2764 -161125.0096 -108684.0208 299.2940 119.8232 150.1784 762899.7861 5.4677 5.3538 PRESSURE: 4827400 -10.3042 68.3319 -23.0835 68.3313 9.34356 98.2232 -23.0832 98.2239 -50.2121 GPRESSURE: 4827400 116.269 103.446 3.224 17.4068 -96.4603 167.977 -75.9125 61.7131 -0.46044 PRESSAVG: 4827400 -25.3333 -40.9323 7.01232 -40.9323 58.9314 -2.57931 7.01232 -2.57928 -1.69725 GPRESSAVG: 4827400 -25.1161 -41.2907 7.77557 -41.458 58.2225 -0.73629 7.30724 -4.55076 -1.30186 TIMING: 4827400 CPU: 15266.7, 0.00318767/step Wall: 15266.7, 0.00318767/step, 0.152831 hours remaining, 235.867188 MB of memory in use. ENERGY: 4827400 3960.2774 20605.7764 14622.5381 267.2100 -202985.3969 2478.3084 0.0000 0.0000 52059.6916 -108991.5949 299.1878 -161051.2865 -108626.7775 300.0768 -17.0576 6.4494 762372.2142 10.6336 10.6015 PRESSURE: 4827600 78.5028 -402.302 -30.8537 -402.302 -44.6993 319.366 -30.8535 319.366 -66.8439 GPRESSURE: 4827600 44.5485 -372.148 -1.13072 -402.123 42.1177 233.778 44.2591 272.336 -23.1245 PRESSAVG: 4827600 -27.7938 -22.0194 1.1905 -22.0194 -23.0224 -13.7211 1.1905 -13.721 21.0203 GPRESSAVG: 4827600 -29.32 -20.655 0.383809 -21.1966 -21.3517 -13.68 1.17369 -13.9138 20.7265 TIMING: 4827600 CPU: 15267.3, 0.00316878/step Wall: 15267.3, 0.00316878/step, 0.151749 hours remaining, 235.867188 MB of memory in use. ENERGY: 4827600 3945.0072 20475.8751 14497.4768 254.9130 -203447.4048 2874.4355 0.0000 0.0000 52425.7797 -108973.9175 301.2917 -161399.6972 -108613.5175 300.3536 -11.0135 21.1805 761238.0693 -9.9320 -9.9817 PRESSURE: 4827800 106.853 68.9929 14.5057 68.9922 329.964 -116.277 14.5053 -116.277 -141.818 GPRESSURE: 4827800 219.344 25.7633 -36.098 241.074 376.376 -137.126 -49.7049 -102.519 -217.019 PRESSAVG: 4827800 -54.1206 -76.5381 -4.67399 -76.5381 42.2905 27.8309 -4.674 27.8309 -22.1103 GPRESSAVG: 4827800 -53.2643 -78.066 -5.29774 -76.4378 41.41 27.1579 -6.00609 30.6249 -21.8242 TIMING: 4827800 CPU: 15268, 0.00319312/step Wall: 15268, 0.00319312/step, 0.152738 hours remaining, 235.867188 MB of memory in use. ENERGY: 4827800 3931.2684 20392.7414 14556.1945 246.7391 -203066.2180 2642.9426 0.0000 0.0000 52478.4829 -108817.8491 301.5946 -161296.3320 -108436.3389 299.6129 98.3330 126.2340 763384.8414 -11.3135 -11.2261 PRESSURE: 4828000 47.7209 -12.6473 110.918 -12.6471 57.7905 242.848 110.919 242.848 -222.126 GPRESSURE: 4828000 119.789 -68.0831 215.564 -75.7138 32.0783 136.749 23.637 185.791 -186.157 PRESSAVG: 4828000 -9.80962 -81.1774 -25.8595 -81.1775 22.1276 -38.6041 -25.8595 -38.6041 -10.0053 GPRESSAVG: 4828000 -10.4873 -80.3882 -26.4184 -80.8697 22.6565 -38.3963 -24.522 -40.8241 -10.0123 TIMING: 4828000 CPU: 15268.6, 0.0031853/step Wall: 15268.6, 0.0031853/step, 0.152187 hours remaining, 235.867188 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: 4828000 4060.0144 20547.2090 14561.2023 254.6321 -203005.1223 2670.4762 0.0000 0.0000 52190.7939 -108720.7945 299.9412 -160911.5884 -108359.9658 300.3430 -38.8715 -11.4297 761802.6226 0.7709 0.7190 PRESSURE: 4828200 84.0338 -7.60126 21.2811 -7.60168 -190.474 215.369 21.2811 215.368 -284.516 GPRESSURE: 4828200 43.3011 -41.8247 79.506 29.0939 -196.841 183.215 -117.543 222.034 -144.678 PRESSAVG: 4828200 -43.2885 -73.2244 -35.4501 -73.2245 30.0938 76.4697 -35.4502 76.4698 20.9413 GPRESSAVG: 4828200 -44.7292 -74.5444 -33.9054 -75.9867 30.6104 76.2412 -37.8056 77.9063 21.3862 TIMING: 4828200 CPU: 15269.2, 0.00317949/step Wall: 15269.2, 0.00317949/step, 0.151732 hours remaining, 235.867188 MB of memory in use. ENERGY: 4828200 4051.0893 20648.4569 14473.9363 263.5317 -203005.6659 2636.4671 0.0000 0.0000 52065.6979 -108866.4867 299.2223 -160932.1846 -108506.2186 300.5210 -130.3190 -99.4059 763924.7175 2.5822 2.4225 LDB: ============= START OF LOAD BALANCING ============== 15281.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15281.8 LDB: =============== DONE WITH MIGRATION ================ 15281.8 LDB: ============= START OF LOAD BALANCING ============== 15282.1 LDB: Largest compute 7076 load 0.034183 is 17.5% of average load 0.195593 LDB: Average compute 0.004386 is 2.2% of average load 0.195593 LDB: TIME 15282.1 LOAD: AVG 0.195593 MAX 0.213368 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.648 MB LDB: TIME 15282.1 LOAD: AVG 0.195593 MAX 0.213368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.852 MB LDB: TIME 15282.1 LOAD: AVG 0.195593 MAX 0.213368 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.852 MB LDB: ============== END OF LOAD BALANCING =============== 15282.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15282.1 PRESSURE: 4828400 -210.97 20.1951 -267.466 20.196 168.461 211.703 -267.466 211.702 -496.386 GPRESSURE: 4828400 -261.06 64.5695 -269.274 4.90685 248.097 226.505 -197.178 155.552 -424.267 PRESSAVG: 4828400 -41.3645 -20.9901 -15.3643 -20.9901 52.1131 47.7191 -15.3643 47.7191 3.22696 GPRESSAVG: 4828400 -39.7467 -18.9129 -15.5545 -20.1864 50.5528 47.9863 -13.4048 46.6971 3.09204 TIMING: 4828400 CPU: 15269.9, 0.00325411/step Wall: 15269.9, 0.00325411/step, 0.155113 hours remaining, 235.410156 MB of memory in use. ENERGY: 4828400 4029.1350 20558.8440 14494.8022 253.8475 -202952.1171 2387.8410 0.0000 0.0000 52244.0107 -108983.6366 300.2470 -161227.6473 -108624.1266 300.3543 -179.6316 -145.7433 764001.6497 4.6585 4.6327 PRESSURE: 4828600 84.8882 -111.454 -121.078 -111.454 -319.108 156.176 -121.079 156.175 5.87576 GPRESSURE: 4828600 115.716 -198.796 -117.023 -175.742 -199.591 96.2844 -70.2796 170.047 -39.6652 PRESSAVG: 4828600 -43.8234 1.8927 11.7091 1.89272 -1.22814 34.8719 11.7091 34.8719 -7.00643 GPRESSAVG: 4828600 -44.5955 -0.0463855 11.2341 2.3557 -0.164211 35.4058 11.9513 35.0213 -7.13797 TIMING: 4828600 CPU: 15270.5, 0.00317021/step Wall: 15270.5, 0.00317021/step, 0.150937 hours remaining, 235.667969 MB of memory in use. ENERGY: 4828600 3960.6769 20355.7778 14536.2364 245.9274 -203276.5606 2620.5825 0.0000 0.0000 52296.2307 -109261.1290 300.5472 -161557.3597 -108900.7243 299.6822 -76.1148 -41.1802 761919.6624 -17.3527 -17.2992 PRESSURE: 4828800 -221.84 46.0623 -49.3764 46.0628 111.067 -178.296 -49.3762 -178.295 245.918 GPRESSURE: 4828800 -158.095 -37.363 -15.2588 30.3243 160.119 -227.264 -4.09838 -95.007 216.145 PRESSAVG: 4828800 11.3478 -19.0927 -59.7101 -19.0927 79.0156 24.273 -59.7101 24.273 8.94755 GPRESSAVG: 4828800 12.0543 -18.7767 -59.3978 -18.956 79.1828 23.0296 -60.5218 25.1928 7.88855 TIMING: 4828800 CPU: 15271.2, 0.00317578/step Wall: 15271.2, 0.00317578/step, 0.151026 hours remaining, 235.667969 MB of memory in use. ENERGY: 4828800 4033.5626 20552.5599 14556.0737 234.4524 -203659.1675 2715.0570 0.0000 0.0000 52207.9087 -109359.5531 300.0396 -161567.4618 -108997.5857 299.3829 45.0483 72.7231 761184.4135 33.1036 33.0419 PRESSURE: 4829000 -584.416 -80.6034 -130.489 -80.6029 -265.054 -66.8983 -130.489 -66.8987 -234.581 GPRESSURE: 4829000 -572.129 -11.9526 -133.932 -34.4123 -198.809 -31.1986 -76.6048 -135.214 -232.154 PRESSAVG: 4829000 -8.95991 -65.3604 46.2634 -65.3603 79.4212 27.1016 46.2635 27.1015 2.34888 GPRESSAVG: 4829000 -7.78758 -62.7342 46.7548 -66.4567 77.6292 28.6624 46.5986 26.7969 3.6657 TIMING: 4829000 CPU: 15271.8, 0.00322541/step Wall: 15271.8, 0.00322541/step, 0.153207 hours remaining, 235.871094 MB of memory in use. ENERGY: 4829000 4021.1067 20470.4141 14479.9449 259.1187 -203056.4733 2155.7659 0.0000 0.0000 52217.2108 -109452.9122 300.0930 -161670.1231 -109076.8917 299.3263 -361.3505 -334.3638 761014.7861 24.2701 24.5024 PRESSURE: 4829200 -196.365 -1.89104 -119.51 -1.89065 -22.7663 219.808 -119.511 219.808 197.48 GPRESSURE: 4829200 -169.766 -31.9291 -112.098 -33.2231 42.1233 149.182 -122.426 158.886 188.768 PRESSAVG: 4829200 -9.27953 -46.4651 -52.4097 -46.4651 11.7883 63.829 -52.4098 63.829 8.34473 GPRESSAVG: 4829200 -9.54971 -47.3957 -53.2733 -45.554 12.1031 64.2962 -52.7024 62.6252 8.00815 TIMING: 4829200 CPU: 15272.5, 0.00320028/step Wall: 15272.5, 0.00320028/step, 0.151836 hours remaining, 235.871094 MB of memory in use. ENERGY: 4829200 3954.6166 20650.5048 14502.4670 237.5942 -203161.7983 2441.6617 0.0000 0.0000 51879.4605 -109495.4935 298.1520 -161374.9540 -109140.8680 299.2694 -7.2170 20.3750 761584.8592 3.6178 3.5205 PRESSURE: 4829400 378.674 -50.7309 -42.2073 -50.7304 -137.735 -170.257 -42.2066 -170.257 -208.35 GPRESSURE: 4829400 355.403 -87.8702 -55.5923 -20.6905 -69.4871 -149.453 -40.361 -164.874 -185.701 PRESSAVG: 4829400 -3.00379 -4.93801 6.22195 -4.93797 37.2768 7.31698 6.22193 7.31706 7.9949 GPRESSAVG: 4829400 -3.97213 -6.35077 7.88033 -4.54787 37.8468 7.06279 5.88903 8.33045 8.47902 TIMING: 4829400 CPU: 15273.1, 0.00321033/step Wall: 15273.1, 0.00321033/step, 0.152134 hours remaining, 235.871094 MB of memory in use. ENERGY: 4829400 4008.5921 20432.0250 14513.0356 241.2898 -203287.4798 2766.3852 0.0000 0.0000 51685.7233 -109640.4288 297.0386 -161326.1521 -109276.6770 298.8187 10.8629 33.4050 762041.1361 14.0893 14.1179 PRESSURE: 4829600 -10.4043 -34.5531 45.823 -34.5527 -69.7429 39.3549 45.8219 39.3555 -43.519 GPRESSURE: 4829600 43.0648 -63.9042 126.35 -63.8512 -40.525 44.1767 22.3144 -26.0362 -29.4638 PRESSAVG: 4829600 -0.808246 -34.3815 31.3159 -34.3814 -1.31862 43.026 31.3158 43.026 -4.65033 GPRESSAVG: 4829600 -0.994102 -34.9325 30.342 -35.6361 -1.18851 42.0936 32.0851 41.9223 -4.36225 TIMING: 4829600 CPU: 15273.7, 0.00319174/step Wall: 15273.7, 0.00319174/step, 0.151076 hours remaining, 235.871094 MB of memory in use. ENERGY: 4829600 3989.3037 20498.9229 14563.1992 249.1763 -203295.3463 2583.5888 0.0000 0.0000 51753.6118 -109657.5436 297.4287 -161411.1554 -109300.1483 298.3647 -41.2221 -8.9747 760687.6955 -2.2591 -2.1816 PRESSURE: 4829800 -63.5669 124.198 -216.267 124.198 32.2141 -360.719 -216.266 -360.719 -177.242 GPRESSURE: 4829800 0.707004 105.565 -211.064 -9.04354 -2.20627 -293.247 -149.464 -371.653 -81.5796 PRESSAVG: 4829800 0.990023 -49.2734 -5.9953 -49.2734 51.7475 42.527 -5.99532 42.527 -0.607279 GPRESSAVG: 4829800 0.414418 -49.7925 -6.68951 -48.1968 52.236 43.6014 -6.88759 44.0313 -0.480461 TIMING: 4829800 CPU: 15274.4, 0.0031922/step Wall: 15274.4, 0.0031922/step, 0.15092 hours remaining, 235.871094 MB of memory in use. ENERGY: 4829800 4025.4877 20414.7476 14565.0914 231.1419 -203593.0667 2629.1354 0.0000 0.0000 52128.8151 -109598.6477 299.5850 -161727.4627 -109240.2075 298.4637 -69.5315 -27.6929 760416.2625 17.3768 17.3900 PRESSURE: 4830000 74.4791 30.9014 -63.7392 30.9018 -122.831 265.129 -63.7376 265.129 -132.52 GPRESSURE: 4830000 -11.6836 -64.7507 -14.2919 -37.0794 -37.0484 117.43 -52.8322 284.154 -54.7319 PRESSAVG: 4830000 -8.65409 -48.8353 11.9958 -48.8352 -38.6507 9.12152 11.9959 9.12142 9.02689 GPRESSAVG: 4830000 -8.31425 -46.7306 11.8305 -49.3312 -39.4709 7.69136 13.9085 8.30343 9.07704 TIMING: 4830000 CPU: 15275, 0.00318571/step Wall: 15275, 0.00318571/step, 0.150436 hours remaining, 235.871094 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: 4830000 3906.4231 20567.6599 14477.5243 226.6155 -203289.9990 2603.2825 0.0000 0.0000 51835.8181 -109672.6758 297.9012 -161508.4939 -109316.8291 298.6331 -60.2906 -34.4880 762181.6448 -12.7593 -12.9027 PRESSURE: 4830200 -109.358 146.103 -182.315 146.103 437.542 10.7042 -182.316 10.7032 78.1758 GPRESSURE: 4830200 -106.78 227.533 -143.042 113.093 479.778 46.2455 -233.663 -1.66569 122.698 PRESSAVG: 4830200 -81.9324 -18.4768 41.8805 -18.4768 67.0972 35.2748 41.8804 35.2747 23.8592 GPRESSAVG: 4830200 -81.4099 -16.5735 41.5132 -18.4613 67.4384 37.2087 39.72 35.1589 22.3657 TIMING: 4830200 CPU: 15275.6, 0.00318563/step Wall: 15275.6, 0.00318563/step, 0.150255 hours remaining, 235.871094 MB of memory in use. ENERGY: 4830200 3920.0629 20412.5905 14480.2951 247.3309 -204017.6106 2730.5408 0.0000 0.0000 52365.0263 -109861.7641 300.9425 -162226.7904 -109487.8842 298.2352 135.4530 165.2318 759782.5597 3.0080 2.7981 PRESSURE: 4830400 -391.892 -118.617 37.0493 -118.617 89.7733 -138.939 37.05 -138.939 -203.4 GPRESSURE: 4830400 -390.516 -109.233 128.846 -236.888 123.47 -84.1146 64.6596 -297.52 -152.104 PRESSAVG: 4830400 -41.3136 -10.1282 6.74592 -10.1282 77.1536 25.0639 6.74581 25.0639 -14.0933 GPRESSAVG: 4830400 -42.8054 -12.6929 8.7162 -9.39179 77.1732 22.9968 7.11154 27.0082 -12.9687 TIMING: 4830400 CPU: 15276.3, 0.00318884/step Wall: 15276.3, 0.00318884/step, 0.15023 hours remaining, 235.871094 MB of memory in use. ENERGY: 4830400 4070.2125 20370.8357 14481.4978 259.8284 -203904.3364 2682.8923 0.0000 0.0000 52288.1251 -109750.9445 300.5006 -162039.0697 -109391.2812 298.4699 -168.5063 -139.7169 761565.0640 7.2489 7.1330 PRESSURE: 4830600 69.8849 142.118 219.872 142.12 146.503 41.243 219.871 41.2434 -62.8589 GPRESSURE: 4830600 43.6196 63.061 290.239 153.069 258.593 24.134 221.48 55.1786 -50.4814 PRESSAVG: 4830600 -84.124 -49.163 38.8106 -49.1629 30.7243 26.4288 38.8106 26.4289 -16.0996 GPRESSAVG: 4830600 -83.0041 -48.8901 37.0968 -49.4659 29.5883 26.6402 39.4417 24.5443 -16.309 TIMING: 4830600 CPU: 15276.9, 0.00319342/step Wall: 15276.9, 0.00319342/step, 0.150268 hours remaining, 235.871094 MB of memory in use. ENERGY: 4830600 3958.8727 20630.7743 14529.0046 243.0356 -203673.1858 2728.0343 0.0000 0.0000 51927.2906 -109656.1738 298.4269 -161583.4643 -109307.6956 299.0087 51.1763 83.9105 761539.2332 -23.1665 -23.2416 PRESSURE: 4830800 -179.671 19.6571 -106.276 19.6569 -315.637 129.467 -106.275 129.468 -451.558 GPRESSURE: 4830800 -216.586 -5.64944 -112.665 29.6093 -233.802 99.4846 -125.621 40.3922 -434.288 PRESSAVG: 4830800 -37.5583 -39.9983 -2.90425 -39.9983 -8.95495 -20.255 -2.90427 -20.2549 28.7965 GPRESSAVG: 4830800 -37.5678 -38.6711 -3.08025 -40.6335 -8.93617 -20.481 -1.96052 -20.0305 28.6938 TIMING: 4830800 CPU: 15277.6, 0.00317628/step Wall: 15277.6, 0.00317628/step, 0.149285 hours remaining, 235.871094 MB of memory in use. ENERGY: 4830800 4041.9937 20666.5932 14604.4820 232.0045 -203797.0034 2604.7687 0.0000 0.0000 51983.2918 -109663.8695 298.7487 -161647.1613 -109315.1718 299.2237 -315.6219 -294.8920 762693.5472 -5.9056 -5.9367 PRESSURE: 4831000 14.018 -71.274 -156.426 -71.2734 -17.3653 -159.728 -156.425 -159.728 -498.688 GPRESSURE: 4831000 24.6256 -46.8928 -226.683 23.5856 62.4132 -230.441 -79.5226 25.9302 -498.43 PRESSAVG: 4831000 0.913145 -33.2539 35.7009 -33.2539 15.8846 -31.4071 35.7008 -31.4072 -10.1507 GPRESSAVG: 4831000 1.61936 -35.4249 37.5236 -30.0595 15.8534 -31.2376 33.6477 -31.5374 -11.2982 TIMING: 4831000 CPU: 15278.2, 0.00318149/step Wall: 15278.2, 0.00318149/step, 0.149353 hours remaining, 235.871094 MB of memory in use. ENERGY: 4831000 4020.1143 20457.8962 14484.0692 238.3070 -203555.5822 2723.2528 0.0000 0.0000 51862.0231 -109769.9196 298.0518 -161631.9427 -109404.1879 299.1963 -167.3451 -137.1305 762389.8140 2.2157 2.0582 PRESSURE: 4831200 -70.1752 -133.397 57.1089 -133.397 -257.725 68.2654 57.1082 68.2659 276.267 GPRESSURE: 4831200 -46.4674 -106.018 101.249 -141.181 -131.546 -57.7287 -106.187 269.753 185.924 PRESSAVG: 4831200 -15.3182 -17.5917 6.19337 -17.5916 17.3839 -27.7626 6.19338 -27.7626 18.1874 GPRESSAVG: 4831200 -15.4783 -17.285 4.37894 -19.935 17.0553 -26.6781 7.96332 -27.0526 19.3226 TIMING: 4831200 CPU: 15278.8, 0.00319715/step Wall: 15278.8, 0.00319716/step, 0.149911 hours remaining, 235.871094 MB of memory in use. ENERGY: 4831200 3972.7490 20373.6036 14491.0264 256.9203 -203403.8198 2583.7679 0.0000 0.0000 52042.0933 -109683.6592 299.0866 -161725.7525 -109318.9667 298.2899 -17.2111 2.6368 760165.0048 6.7510 6.9665 PRESSURE: 4831400 49.4699 -106.726 176.462 -106.725 121.167 -320.596 176.462 -320.595 56.8923 GPRESSURE: 4831400 96.3361 -52.9358 129.153 -108.131 217.827 -301.999 43.8581 -299.137 -2.17608 PRESSAVG: 4831400 -42.6409 11.7675 65.7626 11.7675 -5.70393 20.1481 65.7626 20.1481 1.69243 GPRESSAVG: 4831400 -41.7722 10.6606 66.6425 11.6552 -5.63914 18.2948 63.091 23.2871 0.448894 TIMING: 4831400 CPU: 15279.5, 0.00318639/step Wall: 15279.5, 0.00318639/step, 0.149229 hours remaining, 235.871094 MB of memory in use. ENERGY: 4831400 4022.3452 20410.1818 14436.3518 244.7585 -204175.5921 2936.9319 0.0000 0.0000 52444.9180 -109680.1048 301.4017 -162125.0229 -109321.3119 298.9662 75.8432 103.9957 759302.1189 -15.5508 -15.6542 PRESSURE: 4831600 -37.2991 -12.3137 -2.23788 -12.3138 130.129 24.6595 -2.23735 24.6598 -34.1634 GPRESSURE: 4831600 -15.9997 -174.731 36.9977 -25.7404 108.72 26.4112 -49.5621 42.7341 42.1628 PRESSAVG: 4831600 16.102 -35.6189 6.43173 -35.6189 4.33542 -1.80708 6.43171 -1.80702 36.5115 GPRESSAVG: 4831600 14.079 -36.0222 6.14062 -35.7169 4.45049 -1.31056 8.3849 -6.61721 38.6863 TIMING: 4831600 CPU: 15280.1, 0.00318298/step Wall: 15280.1, 0.00318298/step, 0.148893 hours remaining, 235.871094 MB of memory in use. ENERGY: 4831600 3986.1785 20632.5478 14470.9300 264.5701 -203514.0317 2566.4044 0.0000 0.0000 52162.4309 -109430.9699 299.7782 -161593.4008 -109069.0540 299.5253 19.5556 44.9611 760913.0534 18.9830 19.0719 PRESSURE: 4831800 -147.386 -243.773 85.9791 -243.772 -118.249 224.032 85.9798 224.032 -24.0396 GPRESSURE: 4831800 -93.9845 -72.8808 62.9262 -247.623 -126.007 217.417 95.4537 130.964 -2.56333 PRESSAVG: 4831800 -64.2939 8.55268 39.5357 8.55265 33.5724 -5.38399 39.5357 -5.38398 25.3755 GPRESSAVG: 4831800 -64.5112 11.7594 39.0978 8.46319 33.865 -3.94462 38.6286 -4.12149 24.7801 TIMING: 4831800 CPU: 15280.7, 0.00317779/step Wall: 15280.7, 0.00317779/step, 0.148474 hours remaining, 235.871094 MB of memory in use. ENERGY: 4831800 3976.6813 20526.0783 14459.1060 251.6816 -203144.0660 2461.7314 0.0000 0.0000 51984.9964 -109483.7910 298.7585 -161468.7873 -109114.6590 298.9856 -96.5580 -74.1848 761372.8837 -1.7820 -1.9554 PRESSURE: 4832000 310.738 216.554 98.2973 216.553 -49.9721 274.639 98.2969 274.638 95.722 GPRESSURE: 4832000 337.241 126.677 122.995 128.945 -14.4717 223.58 24.0482 271.019 136.5 PRESSAVG: 4832000 17.7931 31.7734 -19.065 31.7734 24.2574 -6.76755 -19.065 -6.76753 -1.19644 GPRESSAVG: 4832000 17.2958 30.8487 -20.4516 31.4653 24.2039 -7.54335 -17.4839 -6.19778 -0.901402 TIMING: 4832000 CPU: 15281.4, 0.00317521/step Wall: 15281.4, 0.00317521/step, 0.148176 hours remaining, 235.871094 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: 4832000 3943.4747 20508.6881 14452.4181 249.9843 -203257.9011 2453.1721 0.0000 0.0000 52136.9113 -109513.2526 299.6315 -161650.1639 -109146.8592 299.1957 118.8292 153.0897 758814.8565 13.6180 13.5328 PRESSURE: 4832200 21.7188 -80.3781 6.94428 -80.3794 -15.8315 -66.1609 6.94423 -66.1619 499.421 GPRESSURE: 4832200 -5.41759 -42.8625 48.3663 40.1026 68.5767 -56.9086 -40.461 -25.6592 539.706 PRESSAVG: 4832200 -11.7224 5.87758 -14.1102 5.87754 -35.2665 24.9946 -14.1102 24.9946 6.14197 GPRESSAVG: 4832200 -11.4349 6.45323 -12.965 4.03707 -35.6336 27.0435 -15.7154 24.5748 6.11465 TIMING: 4832200 CPU: 15282, 0.00317341/step Wall: 15282, 0.00317341/step, 0.147916 hours remaining, 235.871094 MB of memory in use. ENERGY: 4832200 3932.5106 20550.9028 14438.5474 270.1841 -203301.7128 2438.3413 0.0000 0.0000 52017.0219 -109654.2048 298.9425 -161671.2267 -109286.1324 298.6814 168.4361 200.9551 760598.7005 -13.6156 -13.6513 LDB: ============= START OF LOAD BALANCING ============== 15294.5 LDB: ============== END OF LOAD BALANCING =============== 15294.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15294.5 LDB: ============= START OF LOAD BALANCING ============== 15294.9 LDB: Largest compute 7077 load 0.037793 is 19.3% of average load 0.195630 LDB: Average compute 0.004384 is 2.2% of average load 0.195630 LDB: TIME 15294.9 LOAD: AVG 0.19563 MAX 0.214118 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.094 MB LDB: TIME 15294.9 LOAD: AVG 0.19563 MAX 0.214118 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.094 MB LDB: TIME 15294.9 LOAD: AVG 0.19563 MAX 0.214118 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.094 MB LDB: ============== END OF LOAD BALANCING =============== 15294.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15294.9 PRESSURE: 4832400 281.859 85.867 -31.259 85.8671 261.034 -121.75 -31.2583 -121.75 200.975 GPRESSURE: 4832400 251.51 92.8444 -81.8605 203.173 357.611 -142.169 56.5175 -248.251 242.679 PRESSAVG: 4832400 -24.7506 25.1745 -18.0369 25.1745 -9.79119 6.48386 -18.0369 6.48391 -18.7072 GPRESSAVG: 4832400 -23.8621 24.7055 -18.4776 27.6682 -10.0236 6.38199 -15.1573 4.83529 -18.9718 TIMING: 4832400 CPU: 15282.7, 0.00325105/step Wall: 15282.7, 0.00325105/step, 0.151354 hours remaining, 235.429688 MB of memory in use. ENERGY: 4832400 3887.0277 20275.4185 14471.9724 231.5002 -203604.0408 2701.2034 0.0000 0.0000 52107.1980 -109929.7206 299.4608 -162036.9185 -109564.4750 298.4722 247.9559 283.9336 760667.5705 -17.7496 -17.6192 PRESSURE: 4832600 330.374 -104.293 25.1944 -104.293 83.7087 -72.7066 25.1936 -72.7068 10.8859 GPRESSURE: 4832600 274.651 -66.5366 58.4915 -120.447 206.406 -132.702 -130.898 -56.118 41.4311 PRESSAVG: 4832600 13.9842 -33.7542 -18.459 -33.7543 -13.9957 -10.1869 -18.4592 -10.187 8.03206 GPRESSAVG: 4832600 12.3051 -34.6474 -17.9569 -33.0881 -12.6365 -12.6105 -21.3476 -8.43795 8.14902 TIMING: 4832600 CPU: 15283.3, 0.00319598/step Wall: 15283.3, 0.00319598/step, 0.148613 hours remaining, 235.500000 MB of memory in use. ENERGY: 4832600 3904.4081 20307.4040 14382.0932 255.1065 -203350.4998 2519.1287 0.0000 0.0000 51799.4819 -110182.8775 297.6923 -161982.3593 -109814.3374 297.7559 141.6562 174.1627 761085.4420 2.6735 2.6059 PRESSURE: 4832800 -249.063 -94.2147 -74.8012 -94.2143 -152.346 -58.1219 -74.8006 -58.1214 -304.139 GPRESSURE: 4832800 -147.43 -134.627 -72.4553 7.5763 -143.403 -70.2752 -120.177 142.26 -339.312 PRESSAVG: 4832800 -54.4916 -7.76415 8.18162 -7.7641 72.5325 -10.7951 8.18166 -10.7951 11.1942 GPRESSAVG: 4832800 -54.1128 -5.77426 9.52447 -7.85095 71.1615 -8.86182 7.48907 -10.7402 12.499 TIMING: 4832800 CPU: 15283.9, 0.00316832/step Wall: 15283.9, 0.00316832/step, 0.147151 hours remaining, 235.500000 MB of memory in use. ENERGY: 4832800 4004.4635 20239.3115 14475.6473 224.8544 -203381.6762 2525.2513 0.0000 0.0000 51900.7011 -110011.4470 298.2740 -161912.1481 -109639.9172 297.3478 -235.1827 -210.0483 760154.8616 9.7450 9.8492 PRESSURE: 4833000 -67.7404 -2.20216 18.6506 -2.20232 207.517 53.078 18.6511 53.0778 224.018 GPRESSURE: 4833000 -28.1487 38.7642 -28.4853 -57.2255 225.725 -25.8059 40.8564 101.285 260.523 PRESSAVG: 4833000 -18.0937 32.4902 -31.1177 32.4903 53.7206 25.8778 -31.1177 25.8778 -0.249939 GPRESSAVG: 4833000 -16.9853 31.035 -32.9244 32.1728 53.6289 26.0844 -29.8686 25.9146 -1.52602 TIMING: 4833000 CPU: 15284.6, 0.00320694/step Wall: 15284.6, 0.00320694/step, 0.148766 hours remaining, 235.500000 MB of memory in use. ENERGY: 4833000 3925.4186 20361.1068 14481.2759 230.1128 -203741.5112 2708.6719 0.0000 0.0000 51827.6778 -110207.2474 297.8544 -162034.9252 -109847.3149 297.4598 121.2649 152.6999 759931.0607 11.7923 11.7059 PRESSURE: 4833200 -144.016 69.907 -84.2479 69.907 23.0897 55.6183 -84.2482 55.6173 -405.817 GPRESSURE: 4833200 -115.043 -52.0675 -153.909 104.093 5.43727 123.464 -5.30973 -56.149 -329.989 PRESSAVG: 4833200 -47.5837 -13.5396 -18.3109 -13.5397 53.5651 -27.0346 -18.3109 -27.0347 -10.7807 GPRESSAVG: 4833200 -47.5884 -14.4374 -18.5631 -14.281 53.1166 -27.9217 -19.0327 -26.4248 -10.7131 TIMING: 4833200 CPU: 15285.2, 0.00319818/step Wall: 15285.2, 0.00319818/step, 0.148183 hours remaining, 235.500000 MB of memory in use. ENERGY: 4833200 3871.8510 20433.4523 14534.4306 246.0311 -203224.5307 2317.7040 0.0000 0.0000 51712.6951 -110108.3665 297.1936 -161821.0616 -109750.5663 297.4297 -175.5810 -146.5315 760065.1373 -1.5998 -1.7283 PRESSURE: 4833400 -30.5812 38.8039 -54.334 38.8036 77.3946 164.349 -54.3334 164.35 -104.556 GPRESSURE: 4833400 40.1576 15.242 -101.285 221.946 101.176 107.5 -44.502 240.643 -129.948 PRESSAVG: 4833400 -51.2601 -21.7077 -31.194 -21.7077 38.1473 13.2801 -31.194 13.2801 -0.00361027 GPRESSAVG: 4833400 -51.3597 -24.0543 -30.9461 -21.0982 38.5339 11.3579 -31.1668 13.6677 -0.119789 TIMING: 4833400 CPU: 15285.9, 0.00318857/step Wall: 15285.9, 0.00318857/step, 0.14756 hours remaining, 235.500000 MB of memory in use. ENERGY: 4833400 3888.4948 20434.9819 14489.4506 253.3635 -202872.1586 2072.1976 0.0000 0.0000 51721.8153 -110011.8549 297.2460 -161733.6701 -109642.9299 297.3943 -19.2474 3.7952 762280.8693 -4.3721 -4.3152 PRESSURE: 4833600 -69.8454 -278.393 -3.3976 -278.392 -129.796 -38.6664 -3.39802 -38.6666 93.4844 GPRESSURE: 4833600 6.82969 -114.271 75.9111 -173.901 -74.1955 1.9758 -98.5668 -80.0255 58.9729 PRESSAVG: 4833600 -31.7571 -3.79877 22.0478 -3.79875 -0.764337 13.1181 22.0478 13.118 -8.8023 GPRESSAVG: 4833600 -33.0807 -2.04909 21.6888 -3.83108 0.430556 16.9361 24.3971 12.8221 -8.3309 TIMING: 4833600 CPU: 15286.5, 0.0031782/step Wall: 15286.5, 0.0031782/step, 0.146904 hours remaining, 235.500000 MB of memory in use. ENERGY: 4833600 3958.6759 20335.2912 14479.9346 239.2201 -203842.3481 2765.9574 0.0000 0.0000 52076.0437 -109987.2252 299.2817 -162063.2690 -109621.4888 298.0854 -35.3855 -2.7977 761489.2225 -13.7746 -13.6604 PRESSURE: 4833800 -169.369 86.7455 -65.5059 86.7462 16.3341 -121.625 -65.5054 -121.624 -318.147 GPRESSURE: 4833800 -100.036 114.02 31.7622 116.954 0.0283465 -166.158 -98.0583 -71.9924 -278.129 PRESSAVG: 4833800 1.79812 5.53888 -32.1869 5.53891 10.3203 -25.0046 -32.1869 -25.0046 1.31725 GPRESSAVG: 4833800 2.72188 6.51866 -31.4148 6.6066 9.63932 -25.7909 -35.1779 -26.1942 1.06668 TIMING: 4833800 CPU: 15287.1, 0.0031806/step Wall: 15287.1, 0.0031806/step, 0.146838 hours remaining, 235.500000 MB of memory in use. ENERGY: 4833800 3905.5387 20440.6708 14496.4420 244.9088 -203531.2511 2619.6164 0.0000 0.0000 52025.4576 -109798.6169 298.9910 -161824.0745 -109426.0763 298.5438 -157.0607 -126.0458 761794.1680 4.4785 4.4760 PRESSURE: 4834000 268.027 -9.44511 -113.552 -9.44488 -50.4997 68.7423 -113.551 68.7415 153.029 GPRESSURE: 4834000 336.614 16.7063 -26.9972 6.24151 -94.3109 68.3354 -123.508 132.234 212.48 PRESSAVG: 4834000 -24.0406 -54.0069 55.0345 -54.0068 -1.01649 2.15829 55.0346 2.15838 -6.06402 GPRESSAVG: 4834000 -23.234 -51.7953 53.9775 -58.1792 -2.07053 0.0547077 57.4626 3.96594 -6.58751 TIMING: 4834000 CPU: 15287.8, 0.00319446/step Wall: 15287.8, 0.00319447/step, 0.1473 hours remaining, 235.500000 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: 4834000 3935.2646 20463.5589 14562.0323 246.8730 -202960.9849 2321.6268 0.0000 0.0000 51816.2479 -109615.3813 297.7887 -161431.6292 -109260.5850 298.4829 123.5187 151.5943 762699.1033 -10.3737 -10.6307 PRESSURE: 4834200 28.2875 66.3457 -3.72984 66.3456 143.533 -101.193 -3.72886 -101.193 339.927 GPRESSURE: 4834200 29.8081 110.801 -89.4453 93.6495 148.868 -73.3992 -13.8239 -68.6536 431.484 PRESSAVG: 4834200 29.4816 -66.3294 34.7794 -66.3294 -38.3618 42.6832 34.7795 42.6832 -15.1984 GPRESSAVG: 4834200 27.6205 -67.5743 35.7369 -62.4777 -36.4901 43.5626 33.7536 42.5159 -15.1369 TIMING: 4834200 CPU: 15288.4, 0.00318907/step Wall: 15288.4, 0.00318907/step, 0.146874 hours remaining, 235.500000 MB of memory in use. ENERGY: 4834200 3977.1192 20350.0287 14501.8265 241.4741 -202904.1440 2490.7837 0.0000 0.0000 51754.4395 -109588.4723 297.4335 -161342.9117 -109226.9201 298.1501 170.5827 203.3868 759657.2209 -8.0262 -8.0022 PRESSURE: 4834400 207.55 145.196 3.30603 145.197 -92.1259 80.7763 3.3067 80.7757 425.066 GPRESSURE: 4834400 321.986 349.528 -38.0658 49.4693 25.1709 50.021 -47.4292 14.2612 291.503 PRESSAVG: 4834400 -11.2604 -63.6608 -30.3882 -63.6609 -35.7197 11.4128 -30.3883 11.4127 -2.53801 GPRESSAVG: 4834400 -9.83711 -63.0716 -30.3827 -64.5101 -36.8269 11.2068 -31.1106 11.2455 -2.72602 TIMING: 4834400 CPU: 15289, 0.00318603/step Wall: 15289, 0.00318603/step, 0.146557 hours remaining, 235.500000 MB of memory in use. ENERGY: 4834400 3993.7764 20663.1766 14444.9912 252.3785 -203360.5626 2598.3893 0.0000 0.0000 51731.8102 -109676.0403 297.3034 -161407.8505 -109322.5373 298.2968 180.1634 212.8867 761538.0184 -16.5060 -16.4633 PRESSURE: 4834600 113.823 -223.396 -18.5403 -223.396 19.3771 -167.389 -18.5403 -167.389 -72.8014 GPRESSURE: 4834600 66.5162 -270.906 -13.2375 -120.188 191.514 -133.688 -114.345 -197.633 -91.4159 PRESSAVG: 4834600 2.26903 -19.8775 -54.2938 -19.8775 -19.0708 -8.73804 -54.2937 -8.73805 21.1359 GPRESSAVG: 4834600 2.38077 -21.056 -55.509 -19.6668 -18.8161 -8.97622 -53.7822 -9.75756 20.3972 TIMING: 4834600 CPU: 15289.7, 0.00315319/step Wall: 15289.7, 0.00315319/step, 0.144872 hours remaining, 235.500000 MB of memory in use. ENERGY: 4834600 3962.8115 20582.8437 14519.2618 223.0586 -203225.8396 2526.7685 0.0000 0.0000 51796.8891 -109614.2063 297.6774 -161411.0955 -109255.3890 298.5063 20.1330 55.5380 761088.5881 1.4447 1.3206 PRESSURE: 4834800 38.2414 76.962 -135.42 76.9619 -95.5556 -226.469 -135.42 -226.469 -266.127 GPRESSURE: 4834800 39.0092 38.2171 -185.597 66.4201 -85.1496 -289.255 -68.0759 -12.1297 -194.734 PRESSAVG: 4834800 -13.4907 -36.7151 -38.5093 -36.7151 -2.14095 -0.881226 -38.5093 -0.881335 7.88905 GPRESSAVG: 4834800 -14.285 -37.9762 -37.961 -34.2586 -1.20899 -1.68328 -37.9091 0.152347 8.00211 TIMING: 4834800 CPU: 15290.3, 0.00317156/step Wall: 15290.3, 0.00317156/step, 0.145539 hours remaining, 235.500000 MB of memory in use. ENERGY: 4834800 4004.8830 20651.3848 14468.8768 233.3238 -203433.3887 2519.9811 0.0000 0.0000 52022.2621 -109532.6771 298.9727 -161554.9391 -109175.0206 298.7492 -107.8139 -80.2914 761549.9580 -2.5809 -2.4973 PRESSURE: 4835000 93.0102 -157.093 95.2777 -157.093 143.154 -152.24 95.2782 -152.241 302.253 GPRESSURE: 4835000 106.16 -123.545 42.9271 -143.455 103.278 -266.697 93.5035 -120.252 409.597 PRESSAVG: 4835000 -76.9523 -61.3997 15.5053 -61.3996 76.1494 -17.5496 15.5053 -17.5496 9.43806 GPRESSAVG: 4835000 -76.9527 -61.2403 16.5517 -63.5443 74.3074 -17.3548 15.2598 -17.5307 11.4536 TIMING: 4835000 CPU: 15290.9, 0.00317885/step Wall: 15290.9, 0.00317885/step, 0.145697 hours remaining, 235.500000 MB of memory in use. ENERGY: 4835000 3920.1672 20600.5578 14526.1745 245.2855 -203585.6744 2682.5354 0.0000 0.0000 52168.4667 -109442.4873 299.8129 -161610.9541 -109076.0766 298.9389 179.4724 206.3453 761066.4347 2.8784 2.9361 PRESSURE: 4835200 -109.734 -52.157 180.753 -52.1573 114.931 -42.2095 180.754 -42.2089 -148.788 GPRESSURE: 4835200 -53.0829 71.62 144.965 41.1205 155.425 -135.976 182.056 -26.6919 -154.766 PRESSAVG: 4835200 -53.3446 6.73897 -4.91862 6.73887 79.2423 10.6404 -4.91869 10.6405 -1.47783 GPRESSAVG: 4835200 -53.8035 7.618 -4.91211 5.67446 80.7363 11.7192 -4.64515 8.70062 -2.50907 TIMING: 4835200 CPU: 15291.6, 0.00319848/step Wall: 15291.6, 0.00319848/step, 0.146419 hours remaining, 235.500000 MB of memory in use. ENERGY: 4835200 3999.8019 20654.8616 14540.4367 254.6075 -203252.9706 2601.2900 0.0000 0.0000 51955.6161 -109246.3568 298.5896 -161201.9729 -108887.7417 299.3065 -47.8640 -17.4745 761071.3896 8.1399 8.1413 PRESSURE: 4835400 15.0876 -72.3147 30.9668 -72.3149 155.713 -86.9729 30.9665 -86.9732 210.486 GPRESSURE: 4835400 104.325 -93.4481 21.6666 -156.658 117.429 73.9299 -48.7268 -127.659 260.177 PRESSAVG: 4835400 -27.0504 -59.0886 1.67134 -59.0886 17.2575 20.8798 1.67133 20.8799 -2.11698 GPRESSAVG: 4835400 -26.077 -62.0004 0.167692 -58.1042 16.9372 20.1979 1.01226 21.8705 -2.82037 TIMING: 4835400 CPU: 15292.2, 0.00318683/step Wall: 15292.2, 0.00318683/step, 0.145709 hours remaining, 235.500000 MB of memory in use. ENERGY: 4835400 4043.1339 20445.8491 14502.7488 255.4145 -203186.9041 2536.7475 0.0000 0.0000 52174.8805 -109228.1297 299.8498 -161403.0102 -108872.1527 299.7012 127.0954 160.6438 761751.6515 -3.9700 -3.9867 PRESSURE: 4835600 -432.898 -50.5621 -17.7248 -50.562 161.76 128.551 -17.7234 128.551 -245.45 GPRESSURE: 4835600 -367.324 -82.9832 52.0021 -5.43982 246.951 115.402 -48.4569 58.3335 -306.269 PRESSAVG: 4835600 43.3035 -93.1432 2.26899 -93.1432 19.7634 38.0827 2.26896 38.0827 8.64944 GPRESSAVG: 4835600 43.4364 -90.542 4.51154 -93.4176 20.3144 37.6701 0.139603 38.8936 8.52779 TIMING: 4835600 CPU: 15292.9, 0.00317491/step Wall: 15292.9, 0.00317491/step, 0.144987 hours remaining, 235.500000 MB of memory in use. ENERGY: 4835600 4015.4046 20370.0337 14514.0554 263.6432 -203286.8236 2630.5393 0.0000 0.0000 52373.8307 -109119.3168 300.9931 -161493.1474 -108751.3492 299.6377 -172.1957 -142.2139 762101.4584 23.9054 24.0929 PRESSURE: 4835800 -192.723 72.5854 52.7392 72.586 -173.731 153.73 52.7399 153.73 -213.174 GPRESSURE: 4835800 -212.229 106.88 238.366 152.885 -179.666 113.583 -46.3203 57.3556 -87.4014 PRESSAVG: 4835800 -24.0325 -46.7685 44.4807 -46.7685 36.4462 -20.6835 44.4807 -20.6836 -21.0657 GPRESSAVG: 4835800 -24.6496 -48.3251 44.502 -46.1375 36.2221 -19.6583 46.0099 -22.518 -20.4259 TIMING: 4835800 CPU: 15293.5, 0.00316952/step Wall: 15293.5, 0.00316952/step, 0.144566 hours remaining, 235.500000 MB of memory in use. ENERGY: 4835800 4074.8443 20600.0386 14449.9755 253.1802 -203212.4891 2520.9915 0.0000 0.0000 51903.0154 -109410.4436 298.2873 -161313.4590 -109042.7793 299.3752 -193.2092 -159.7654 761705.3343 -2.8840 -2.9511 PRESSURE: 4836000 37.5679 -254.606 112.648 -254.607 -291.178 -106.395 112.649 -106.395 -373.833 GPRESSURE: 4836000 49.4975 -241.005 56.3877 -214.473 -225.713 -175.635 144.413 -87.8656 -357.08 PRESSAVG: 4836000 -7.07039 -39.6749 15.2316 -39.6749 -16.3207 40.1202 15.2316 40.1201 -0.594438 GPRESSAVG: 4836000 -6.98539 -39.0818 16.2199 -40.2027 -16.9949 40.9558 13.1407 39.3433 0.0645957 TIMING: 4836000 CPU: 15294.1, 0.00316901/step Wall: 15294.1, 0.00316901/step, 0.144366 hours remaining, 235.500000 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: 4836000 4016.4363 20471.4195 14522.5749 237.3264 -203407.5599 2805.9928 0.0000 0.0000 51931.3696 -109422.4404 298.4503 -161353.8100 -109068.3207 298.8713 -209.1478 -177.7652 762901.5147 -7.9952 -7.9719 PRESSURE: 4836200 66.6747 43.0605 -256.706 43.0603 -69.6701 89.041 -256.705 89.0411 -10.0384 GPRESSURE: 4836200 91.7975 44.6383 -247.434 9.71565 57.4287 131.552 -291.663 90.9079 -74.8011 PRESSAVG: 4836200 30.6696 -43.7746 -11.3028 -43.7746 -18.3526 19.8761 -11.3027 19.8761 9.63574 GPRESSAVG: 4836200 30.955 -44.3631 -12.2782 -42.7441 -17.3947 18.3339 -9.5826 22.8754 8.74219 TIMING: 4836200 CPU: 15294.8, 0.00318668/step Wall: 15294.8, 0.00318668/step, 0.144994 hours remaining, 235.500000 MB of memory in use. ENERGY: 4836200 4011.2556 20598.1504 14514.5705 250.8731 -203587.1300 2918.4037 0.0000 0.0000 52103.8396 -109190.0370 299.4415 -161293.8766 -108819.2353 299.2598 -4.3446 24.8084 761394.3708 7.3176 7.4342 LDB: ============= START OF LOAD BALANCING ============== 15307.3 LDB: ============== END OF LOAD BALANCING =============== 15307.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15307.3 LDB: ============= START OF LOAD BALANCING ============== 15307.6 LDB: Largest compute 7026 load 0.035237 is 18.0% of average load 0.195613 LDB: Average compute 0.004409 is 2.3% of average load 0.195613 LDB: TIME 15307.6 LOAD: AVG 0.195613 MAX 0.220414 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.848 MB LDB: TIME 15307.6 LOAD: AVG 0.195613 MAX 0.220414 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: TIME 15307.6 LOAD: AVG 0.195613 MAX 0.216441 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.848 MB LDB: ============== END OF LOAD BALANCING =============== 15307.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15307.6 PRESSURE: 4836400 -197.096 32.6462 88.694 32.6464 -35.6046 -0.00542932 88.6943 -0.00533513 -12.2681 GPRESSURE: 4836400 -115.529 28.1099 189.735 202.293 21.0814 59.2617 111.113 20.9125 -76.164 PRESSAVG: 4836400 -0.690461 -30.5186 12.9932 -30.5186 11.536 2.56286 12.9932 2.56277 18.6271 GPRESSAVG: 4836400 -0.209898 -28.4689 14.4284 -30.3491 12.0133 2.14424 12.7071 2.30139 17.8543 TIMING: 4836400 CPU: 15295.4, 0.00321751/step Wall: 15295.4, 0.00321751/step, 0.146218 hours remaining, 236.355469 MB of memory in use. ENERGY: 4836400 4050.0751 20565.0254 14525.1672 258.5383 -203351.6152 2630.7403 0.0000 0.0000 52066.9517 -109255.1172 299.2295 -161322.0689 -108893.0963 299.0330 -81.6561 -56.8705 761496.0933 9.8242 9.8859 PRESSURE: 4836600 -513.11 214.739 132.482 214.739 -181.012 90.7432 132.482 90.7435 -256.519 GPRESSURE: 4836600 -465.113 153.955 111.817 166.536 -195.033 70.5571 129.795 -19.7527 -199.588 PRESSAVG: 4836600 -28.849 -40.2011 43.8005 -40.2012 33.3331 7.3084 43.8006 7.30832 -8.72878 GPRESSAVG: 4836600 -28.0316 -39.4277 41.9974 -42.206 31.8155 6.95283 43.5562 6.85768 -7.8992 TIMING: 4836600 CPU: 15296, 0.00314712/step Wall: 15296, 0.00314712/step, 0.142844 hours remaining, 236.355469 MB of memory in use. ENERGY: 4836600 3974.2619 20404.3556 14575.4475 247.3897 -203499.8987 2838.1105 0.0000 0.0000 51966.2226 -109494.1108 298.6506 -161460.3334 -109122.8756 299.2451 -316.8805 -286.5779 762909.0784 -1.4149 -1.3717 PRESSURE: 4836800 23.8746 -22.1767 180.206 -22.177 -132.997 67.8055 180.206 67.8051 277.756 GPRESSURE: 4836800 89.8988 -94.3948 177.706 13.6518 0.246377 114.947 202.192 173.752 165.306 PRESSAVG: 4836800 35.7903 -22.3289 -26.4435 -22.329 -3.49714 -27.041 -26.4435 -27.0409 -11.1162 GPRESSAVG: 4836800 35.1239 -26.614 -26.5594 -20.2129 -2.70442 -25.2866 -23.9393 -26.3043 -11.7465 TIMING: 4836800 CPU: 15296.7, 0.0032011/step Wall: 15296.7, 0.00320109/step, 0.145116 hours remaining, 236.355469 MB of memory in use. ENERGY: 4836800 3928.2578 20457.1129 14539.2945 236.7980 -203683.5819 2787.7516 0.0000 0.0000 52189.1680 -109545.1990 299.9319 -161734.3670 -109178.3374 298.7362 56.2113 85.1504 761304.1418 7.0590 6.8910 PRESSURE: 4837000 -95.3611 -103.262 123.38 -103.262 -78.8046 -64.7537 123.38 -64.7544 -51.1593 GPRESSURE: 4837000 9.59746 19.802 90.2049 -68.9468 -85.342 -110.381 146.08 -130.513 -43.2468 PRESSAVG: 4837000 -4.2877 -55.5361 15.4654 -55.5361 -18.7964 -62.2747 15.4654 -62.2747 -8.50503 GPRESSAVG: 4837000 -6.55034 -53.1297 15.0752 -56.3293 -18.6515 -63.0326 16.1508 -65.6214 -6.49638 TIMING: 4837000 CPU: 15297.3, 0.00320514/step Wall: 15297.3, 0.00320514/step, 0.145122 hours remaining, 236.355469 MB of memory in use. ENERGY: 4837000 4068.4701 20254.7090 14550.8825 251.5874 -203673.4416 2742.6641 0.0000 0.0000 52308.1991 -109496.9293 300.6159 -161805.1285 -109116.2846 299.0245 -75.1083 -39.6638 761356.7599 -10.5297 -10.5661 PRESSURE: 4837200 -196.58 0.404995 41.5889 0.404676 -266.596 57.732 41.5891 57.7319 -303.81 GPRESSURE: 4837200 -96.9704 16.8742 49.6964 -7.77641 -220.378 139.909 103.177 60.1334 -342.974 PRESSAVG: 4837200 6.89309 -51.5895 9.45559 -51.5895 -9.67377 -44.1934 9.45559 -44.1934 5.42334 GPRESSAVG: 4837200 8.44393 -51.7993 10.3589 -51.2034 -10.3409 -44.5443 7.73833 -41.0451 4.44006 TIMING: 4837200 CPU: 15297.9, 0.00319841/step Wall: 15297.9, 0.00319841/step, 0.144639 hours remaining, 236.355469 MB of memory in use. ENERGY: 4837200 4055.8595 20552.1050 14529.5638 248.6355 -203423.6715 2597.3092 0.0000 0.0000 51973.0276 -109467.1708 298.6897 -161440.1984 -109116.5541 298.7020 -255.6620 -220.1076 763715.1995 0.8809 0.8477 PRESSURE: 4837400 218.896 17.2222 168.398 17.2231 24.9814 -77.0582 168.398 -77.0582 146.343 GPRESSURE: 4837400 357.199 -87.3249 179.605 63.8697 -47.1373 -118.076 24.6127 25.6411 157.791 PRESSAVG: 4837400 54.6194 -40.4185 11.1247 -40.4185 -22.004 -5.90153 11.1247 -5.90153 2.65957 GPRESSAVG: 4837400 54.6182 -41.9447 10.218 -40.1694 -21.551 -4.99136 12.6737 -5.49673 2.12884 TIMING: 4837400 CPU: 15298.6, 0.00316908/step Wall: 15298.6, 0.00316908/step, 0.143137 hours remaining, 236.355469 MB of memory in use. ENERGY: 4837400 3916.7265 20524.2031 14518.1808 259.5555 -203507.7539 2817.2356 0.0000 0.0000 52097.7710 -109374.0814 299.4066 -161471.8525 -109013.8798 298.4886 130.0735 155.9507 761770.1371 11.7583 11.7320 PRESSURE: 4837600 29.4851 -137.386 339.573 -137.386 138.986 -134.531 339.573 -134.533 -347.988 GPRESSURE: 4837600 42.6391 -98.854 268.901 -129.735 107.779 -138.455 322.509 -212.141 -266.741 PRESSAVG: 4837600 24.8384 7.91687 83.5035 7.91686 5.40801 49.4666 83.5035 49.4667 11.983 GPRESSAVG: 4837600 23.8464 9.48488 84.8257 5.4254 6.58905 48.3639 82.0214 50.234 12.1998 TIMING: 4837600 CPU: 15299.2, 0.00318754/step Wall: 15299.2, 0.00318754/step, 0.143793 hours remaining, 236.355469 MB of memory in use. ENERGY: 4837600 4036.4294 20483.9626 14600.0648 269.1614 -203564.9142 2584.5334 0.0000 0.0000 52070.7640 -109519.9986 299.2514 -161590.7626 -109157.9884 299.0361 -59.8392 -38.7744 761034.8455 14.0765 14.2118 PRESSURE: 4837800 294.436 -188.531 153.8 -188.531 414.081 71.9389 153.8 71.9386 237.173 GPRESSURE: 4837800 387.638 -339.395 80.1303 -188.886 328.63 35.4356 229.926 83.2417 302.868 PRESSAVG: 4837800 38.019 -12.3493 29.1149 -12.3493 13.6866 15.5416 29.1148 15.5417 -17.2841 GPRESSAVG: 4837800 39.1882 -13.5614 29.5198 -9.1316 11.9568 16.1897 28.0001 13.4831 -17.1214 TIMING: 4837800 CPU: 15299.9, 0.00319413/step Wall: 15299.9, 0.00319413/step, 0.143913 hours remaining, 236.355469 MB of memory in use. ENERGY: 4837800 3943.0261 20484.3008 14597.2137 239.8460 -203111.9257 2563.4379 0.0000 0.0000 51926.0869 -109358.0142 298.4199 -161284.1012 -108992.2991 299.3795 315.2300 339.7122 760108.7876 11.4739 11.3412 PRESSURE: 4838000 6.12782 187.972 -25.6932 187.972 343.859 -204.216 -25.6925 -204.217 99.2133 GPRESSURE: 4838000 59.1598 97.7466 -42.6274 51.8037 336.03 -251.893 141.693 -127.958 141.64 PRESSAVG: 4838000 -13.1254 -26.6178 50.6516 -26.6177 28.9215 -29.946 50.6516 -29.946 19.7604 GPRESSAVG: 4838000 -13.2213 -25.9513 50.7219 -29.94 28.8948 -31.2466 52.7748 -29.4436 19.4091 TIMING: 4838000 CPU: 15300.5, 0.00319104/step Wall: 15300.5, 0.00319104/step, 0.143597 hours remaining, 236.355469 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: 4838000 3998.0570 20646.7186 14420.6360 238.3563 -203485.9080 2843.7934 0.0000 0.0000 51888.1070 -109450.2398 298.2017 -161338.3467 -109096.7138 299.2628 149.7335 178.9433 759932.4185 11.8522 11.6942 PRESSURE: 4838200 -343.208 106.63 -2.44136 106.63 119.234 95.5275 -2.44214 95.5283 -133.291 GPRESSURE: 4838200 -255.144 140.633 5.46605 126.427 111.138 127.827 13.3234 -9.54931 -116.671 PRESSAVG: 4838200 -56.9827 -36.6799 19.3778 -36.6799 27.3314 -4.01511 19.3777 -4.0151 -23.0481 GPRESSAVG: 4838200 -57.4659 -37.0342 18.1667 -34.191 26.9821 -2.78826 20.2208 -3.25127 -22.2472 TIMING: 4838200 CPU: 15301.1, 0.00319163/step Wall: 15301.1, 0.00319163/step, 0.143446 hours remaining, 236.355469 MB of memory in use. ENERGY: 4838200 4043.4899 20560.9309 14498.3700 241.9264 -203243.3524 2636.7224 0.0000 0.0000 51943.8292 -109318.0835 298.5219 -161261.9127 -108961.1003 298.8865 -119.0883 -86.8923 762865.6645 -17.5665 -17.5770 PRESSURE: 4838400 0.451114 58.0947 78.6549 58.0945 94.4589 -250.8 78.6543 -250.8 22.8794 GPRESSURE: 4838400 -18.2015 -46.3372 137.679 28.6614 167.934 -125.191 25.6118 -340.138 50.649 PRESSAVG: 4838400 -42.2375 -8.07414 -48.5548 -8.07419 57.971 11.3936 -48.5548 11.3935 25.8912 GPRESSAVG: 4838400 -41.953 -6.10801 -46.2178 -9.81005 58.5389 11.9005 -50.5716 10.0091 25.818 TIMING: 4838400 CPU: 15301.8, 0.00319253/step Wall: 15301.8, 0.00319253/step, 0.143309 hours remaining, 236.355469 MB of memory in use. ENERGY: 4838400 3955.8089 20682.7564 14564.2240 226.3364 -203739.2353 2843.8809 0.0000 0.0000 52110.2384 -109355.9902 299.4783 -161466.2286 -108994.3161 299.1510 39.2631 66.7939 762671.5212 13.8749 14.1347 PRESSURE: 4838600 -85.0337 28.7004 25.6103 28.7009 -188.108 -104.886 25.6097 -104.886 -300.286 GPRESSURE: 4838600 -29.9855 -28.7051 -32.3144 53.0571 -178.212 -103.332 153.35 -91.7748 -294.977 PRESSAVG: 4838600 -2.00574 -99.5656 24.6892 -99.5656 -11.2466 -41.1733 24.6892 -41.1733 -17.4729 GPRESSAVG: 4838600 -0.369373 -100.85 22.6707 -97.1961 -11.2993 -41.8807 24.4639 -39.7149 -19.1293 TIMING: 4838600 CPU: 15302.4, 0.00318676/step Wall: 15302.4, 0.00318676/step, 0.142873 hours remaining, 236.355469 MB of memory in use. ENERGY: 4838600 4049.2328 20665.8898 14603.7496 238.8499 -203496.6340 2690.4393 0.0000 0.0000 52081.7372 -109166.7354 299.3145 -161248.4726 -108816.9502 299.4827 -191.1428 -167.7248 762494.4176 -10.2417 -10.2660 PRESSURE: 4838800 206.812 60.1357 54.5539 60.1354 -164.333 66.0605 54.5533 66.0595 -375.5 GPRESSURE: 4838800 240.298 -49.5827 11.1081 73.7141 -169.495 97.9443 54.459 121.51 -318.045 PRESSAVG: 4838800 -14.3529 -33.2498 33.0182 -33.2499 -1.76948 -49.873 33.0181 -49.8731 -15.5803 GPRESSAVG: 4838800 -15.2182 -33.9723 33.5865 -35.2023 -1.64225 -49.8493 35.4008 -49.1638 -14.778 TIMING: 4838800 CPU: 15303, 0.00317226/step Wall: 15303, 0.00317226/step, 0.142047 hours remaining, 236.355469 MB of memory in use. ENERGY: 4838800 3956.0696 20552.8595 14582.2951 231.7821 -203396.9585 2720.7994 0.0000 0.0000 52065.0018 -109288.1510 299.2183 -161353.1528 -108931.0607 299.3322 -111.0072 -82.4139 763920.1243 -10.5676 -10.5461 PRESSURE: 4839000 -11.7297 204.357 -63.2212 204.358 -50.1876 99.47 -63.2222 99.4704 -143.675 GPRESSURE: 4839000 4.04988 228.784 -34.0231 330.299 53.147 51.8073 -63.59 76.7748 -183.955 PRESSAVG: 4839000 -9.26067 24.9047 16.9679 24.9047 6.84346 -24.8865 16.9679 -24.8865 8.81023 GPRESSAVG: 4839000 -8.43547 23.7747 18.478 27.5205 5.78777 -23.727 15.2435 -27.4263 8.83434 TIMING: 4839000 CPU: 15303.7, 0.00321134/step Wall: 15303.7, 0.00321134/step, 0.143618 hours remaining, 236.355469 MB of memory in use. ENERGY: 4839000 4017.0445 20570.7658 14558.1862 240.0237 -203427.6656 2839.2852 0.0000 0.0000 51864.9479 -109337.4122 298.0686 -161202.3601 -108987.2124 299.2543 -68.5306 -42.2527 762435.0124 2.1310 2.0622 PRESSURE: 4839200 -3.43865 -205.729 -37.655 -205.73 -321.474 -266.503 -37.656 -266.504 -48.7671 GPRESSURE: 4839200 -31.3105 -133.531 -123.581 -183.909 -201.98 -314.196 9.59437 -205.248 -53.9115 PRESSAVG: 4839200 -13.8133 -10.339 -14.4895 -10.339 53.7686 -26.863 -14.4896 -26.8629 5.45939 GPRESSAVG: 4839200 -15.0304 -5.68578 -16.2211 -11.1438 54.6885 -26.9883 -13.0953 -25.921 5.7995 TIMING: 4839200 CPU: 15304.3, 0.00321146/step Wall: 15304.3, 0.00321146/step, 0.143445 hours remaining, 236.355469 MB of memory in use. ENERGY: 4839200 3941.1959 20449.1228 14523.2450 233.6892 -203105.7755 2322.6401 0.0000 0.0000 52145.6091 -109490.2734 299.6815 -161635.8825 -109119.3263 298.8680 -124.5598 -95.7339 760759.5943 15.1382 15.1525 PRESSURE: 4839400 -189.635 219.562 158.894 219.562 -314.339 75.5525 158.894 75.5524 -9.56848 GPRESSURE: 4839400 -154.907 164.888 126.993 237.286 -252.325 83.6443 92.6736 48.6831 -30.6457 PRESSAVG: 4839400 6.98391 -24.7468 5.03669 -24.7468 23.0134 30.2676 5.03673 30.2676 4.2371 GPRESSAVG: 4839400 7.6721 -27.2233 5.87338 -24.1728 22.6481 30.0349 5.87408 30.2793 3.85244 TIMING: 4839400 CPU: 15305, 0.00319145/step Wall: 15305, 0.00319145/step, 0.142374 hours remaining, 236.355469 MB of memory in use. ENERGY: 4839400 3998.7216 20505.5284 14604.0702 261.9557 -202932.1044 2096.2750 0.0000 0.0000 51977.2758 -109488.2777 298.7141 -161465.5535 -109130.7946 298.3060 -171.1807 -145.9593 762511.2507 11.4115 11.3909 PRESSURE: 4839600 -180.285 -89.8888 -0.987689 -89.8888 -267.687 -27.218 -0.987799 -27.2185 112.142 GPRESSURE: 4839600 -123.808 -149.166 15.2594 -104.371 -284.86 -2.43849 67.181 45.9646 155.881 PRESSAVG: 4839600 26.0281 -29.0524 -29.1468 -29.0523 -0.954894 55.8626 -29.1468 55.8626 -13.0222 GPRESSAVG: 4839600 24.4592 -30.1248 -29.7015 -28.0081 -0.38445 57.7914 -31.3814 56.9335 -12.1998 TIMING: 4839600 CPU: 15305.6, 0.00319182/step Wall: 15305.6, 0.00319182/step, 0.142213 hours remaining, 236.355469 MB of memory in use. ENERGY: 4839600 3946.8990 20305.7774 14573.8372 227.8307 -202949.9779 2338.3624 0.0000 0.0000 52047.7860 -109509.4852 299.1193 -161557.2711 -109142.3385 298.0704 -111.9435 -84.2622 761840.6783 4.0170 3.9583 PRESSURE: 4839800 -72.2484 93.2076 -43.7911 93.2078 -16.0445 -94.1812 -43.791 -94.182 129.691 GPRESSURE: 4839800 -51.2745 90.327 -18.157 78.2274 47.9907 -70.6309 -89.1859 -136.288 145.486 PRESSAVG: 4839800 -28.1773 -26.4726 -2.43873 -26.4726 28.0306 57.6318 -2.43879 57.6317 -5.4631 GPRESSAVG: 4839800 -26.7496 -26.4692 -2.45871 -28.1719 26.8507 56.3568 -1.76397 56.829 -5.61199 TIMING: 4839800 CPU: 15306.2, 0.0031911/step Wall: 15306.2, 0.0031911/step, 0.142004 hours remaining, 236.355469 MB of memory in use. ENERGY: 4839800 3935.9326 20418.4707 14571.1701 241.5418 -203337.5871 2583.9240 0.0000 0.0000 52176.8404 -109409.7075 299.8610 -161586.5479 -109038.3346 298.7757 13.7993 47.4006 761999.8819 -1.8699 -1.8369 PRESSURE: 4840000 -58.0186 -86.1013 -122.67 -86.1006 -115.434 -23.5871 -122.67 -23.5869 -127.865 GPRESSURE: 4840000 -44.8952 -96.429 -105.816 48.0392 -87.2214 -27.5611 -148.616 32.3313 -50.3103 PRESSAVG: 4840000 11.4373 -16.6716 -26.2335 -16.6716 43.6638 -9.91011 -26.2335 -9.91003 19.5067 GPRESSAVG: 4840000 10.0823 -14.4872 -25.8195 -17.8464 45.1229 -12.0799 -26.9355 -7.42648 19.5349 TIMING: 4840000 CPU: 15306.9, 0.00317188/step Wall: 15306.9, 0.00317188/step, 0.140972 hours remaining, 236.355469 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: 4840000 3944.9913 20440.9720 14539.7276 237.3824 -203507.2112 2606.0323 0.0000 0.0000 52050.7392 -109687.3662 299.1363 -161738.1054 -109313.8727 298.8591 -100.4391 -60.8089 763103.5830 24.8693 24.9133 PRESSURE: 4840200 -51.8317 -3.01507 -81.5137 -3.01451 384.114 136.261 -81.5139 136.261 53.9239 GPRESSURE: 4840200 115.055 73.7795 -98.7506 25.8348 229.489 -16.7996 33.841 245.066 96.3444 PRESSAVG: 4840200 -32.0114 -38.7967 2.94519 -38.7967 -3.8885 30.9026 2.9452 30.9028 2.55376 GPRESSAVG: 4840200 -30.7587 -39.2101 0.97424 -36.6716 -5.27482 31.0259 3.30081 29.3658 2.68837 TIMING: 4840200 CPU: 15307.5, 0.0031765/step Wall: 15307.5, 0.0031765/step, 0.141001 hours remaining, 236.355469 MB of memory in use. ENERGY: 4840200 3979.8020 20489.7858 14575.3152 256.1447 -203409.3809 2568.7082 0.0000 0.0000 52133.5414 -109406.0835 299.6122 -161539.6249 -109050.4621 298.7212 128.7355 146.9628 761148.4950 -11.1154 -11.1151 LDB: ============= START OF LOAD BALANCING ============== 15320.1 LDB: ============== END OF LOAD BALANCING =============== 15320.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15320.1 LDB: ============= START OF LOAD BALANCING ============== 15320.4 LDB: Largest compute 7077 load 0.039185 is 20.0% of average load 0.195612 LDB: Average compute 0.004381 is 2.2% of average load 0.195612 LDB: TIME 15320.4 LOAD: AVG 0.195612 MAX 0.214205 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.52 MB LDB: TIME 15320.4 LOAD: AVG 0.195612 MAX 0.214205 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.52 MB LDB: TIME 15320.4 LOAD: AVG 0.195612 MAX 0.214205 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.52 MB LDB: ============== END OF LOAD BALANCING =============== 15320.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15320.4 PRESSURE: 4840400 168.383 -133.25 246.196 -133.25 -232.586 197.535 246.197 197.535 -394.643 GPRESSURE: 4840400 82.0128 -199.859 223.835 24.197 7.90328 201.119 178.295 175.234 -451.93 PRESSAVG: 4840400 -37.0075 -25.5067 36.1665 -25.5067 -9.4423 -24.3849 36.1665 -24.3849 6.12336 GPRESSAVG: 4840400 -38.7376 -25.9442 36.2445 -25.204 -8.21857 -23.7849 37.0352 -24.7144 7.03604 TIMING: 4840400 CPU: 15308.2, 0.00325216/step Wall: 15308.2, 0.00325216/step, 0.144179 hours remaining, 234.882812 MB of memory in use. ENERGY: 4840400 4009.5371 20320.3647 14500.3459 240.8143 -204002.7320 2903.5783 0.0000 0.0000 52281.0037 -109747.0880 300.4596 -162028.0917 -109380.8230 298.6758 -152.9489 -120.6712 763222.2938 -13.4421 -13.3067 PRESSURE: 4840600 102.823 -49.5554 258.568 -49.5564 -5.6356 -17.2996 258.569 -17.2994 132.439 GPRESSURE: 4840600 179.795 -69.9063 255.538 65.9388 -3.68075 69.8238 312.091 -38.806 112.961 PRESSAVG: 4840600 57.3668 -10.1591 8.58631 -10.1591 -33.0644 -1.58652 8.58637 -1.58647 -17.7796 GPRESSAVG: 4840600 59.6579 -9.4142 10.5043 -10.8649 -32.4036 -0.87394 8.3338 -0.506176 -19.7907 TIMING: 4840600 CPU: 15308.8, 0.00317271/step Wall: 15308.8, 0.00317271/step, 0.14048 hours remaining, 235.085938 MB of memory in use. ENERGY: 4840600 3925.9011 20485.1317 14538.8364 226.9086 -203620.8503 2797.7277 0.0000 0.0000 51851.4531 -109794.8916 297.9910 -161646.3448 -109429.6335 298.3666 76.5420 96.3584 762566.6093 2.1743 2.4879 PRESSURE: 4840800 94.9366 -11.5629 -5.79128 -11.562 16.1513 -75.9551 -5.79088 -75.9556 156.692 GPRESSURE: 4840800 97.8395 -16.4313 -50.3845 -29.6727 54.3076 -54.5161 16.1941 -12.8893 172.954 PRESSAVG: 4840800 8.72996 -61.1842 -28.9467 -61.1842 -26.172 -47.438 -28.9467 -47.4381 0.475595 GPRESSAVG: 4840800 8.86522 -62.1371 -29.8484 -62.0438 -27.0408 -48.3121 -30.3988 -47.8736 1.13983 TIMING: 4840800 CPU: 15309.4, 0.00316694/step Wall: 15309.4, 0.00316694/step, 0.140049 hours remaining, 235.085938 MB of memory in use. ENERGY: 4840800 3963.6901 20513.2221 14473.2395 245.7070 -203758.9930 2924.1301 0.0000 0.0000 51861.6750 -109777.3291 298.0498 -161639.0041 -109413.2921 298.3070 89.2599 108.3672 763928.5680 -5.6555 -5.6786 PRESSURE: 4841000 67.0976 -47.5996 39.058 -47.6001 312.065 63.5885 39.058 63.5891 -43.5093 GPRESSURE: 4841000 177.208 24.8222 26.3713 -134.528 325.494 123.793 -8.88693 -9.29868 -83.0744 PRESSAVG: 4841000 11.1041 -66.3617 17.5932 -66.3618 10.5414 -20.4027 17.5932 -20.4026 9.44407 GPRESSAVG: 4841000 10.8939 -66.664 19.2176 -66.1575 11.1984 -19.3708 18.2345 -22.045 9.50909 TIMING: 4841000 CPU: 15310.1, 0.00318016/step Wall: 15310.1, 0.00318016/step, 0.140457 hours remaining, 235.085938 MB of memory in use. ENERGY: 4841000 4003.1180 20450.3177 14482.8589 243.1886 -203528.6820 2785.9713 0.0000 0.0000 51880.9402 -109682.2873 298.1605 -161563.2275 -109324.8200 298.1072 111.8844 139.8758 762430.5398 10.3632 10.5338 PRESSURE: 4841200 202.619 -354.275 114.9 -354.275 -7.07552 -346.627 114.901 -346.628 -10.1275 GPRESSURE: 4841200 231.858 -229.684 51.2135 -320.859 23.7103 -426.015 124.198 -292.686 12.6153 PRESSAVG: 4841200 38.5789 -54.7513 7.75169 -54.7513 -23.1941 15.7458 7.75164 15.7458 13.3653 GPRESSAVG: 4841200 37.2412 -54.2728 6.69044 -55.4033 -21.339 14.3283 8.42579 17.2376 13.0297 TIMING: 4841200 CPU: 15310.7, 0.00318766/step Wall: 15310.7, 0.00318767/step, 0.140611 hours remaining, 235.085938 MB of memory in use. ENERGY: 4841200 3981.2139 20254.1514 14522.2044 222.6608 -203970.4044 3098.4769 0.0000 0.0000 51990.4015 -109901.2953 298.7896 -161891.6969 -109523.9614 297.6417 61.8052 89.3945 761335.1669 9.5834 9.6440 PRESSURE: 4841400 -328.136 -7.0017 113.317 -7.00181 -55.2244 -24.3625 113.317 -24.3625 186.35 GPRESSURE: 4841400 -210.677 -5.73444 119.654 37.9915 -129.517 10.9133 139.619 -5.7077 213.441 PRESSAVG: 4841400 21.4884 26.5532 23.7202 26.5532 24.5851 -45.8391 23.7203 -45.8391 1.90419 GPRESSAVG: 4841400 22.5015 26.3432 23.7096 27.8612 22.9349 -44.4833 21.9134 -49.4875 2.56691 TIMING: 4841400 CPU: 15311.3, 0.00319564/step Wall: 15311.3, 0.00319563/step, 0.140785 hours remaining, 235.085938 MB of memory in use. ENERGY: 4841400 3976.3564 20468.4474 14508.7188 249.0710 -203433.0170 2571.0739 0.0000 0.0000 51790.2122 -109869.1374 297.6391 -161659.3495 -109501.9483 297.3553 -65.6702 -42.2511 761799.4220 15.9926 16.0011 PRESSURE: 4841600 -64.35 -47.7315 138.287 -47.7315 -107.166 -45.6678 138.288 -45.6681 209.925 GPRESSURE: 4841600 -63.3893 -98.4728 103.635 -101.246 -6.21109 -51.2678 147.195 -107.741 205.05 PRESSAVG: 4841600 -22.7663 -14.3267 -25.9035 -14.3266 8.60415 -48.5472 -25.9036 -48.5471 14.2199 GPRESSAVG: 4841600 -22.8897 -12.152 -26.3231 -16.2241 8.42686 -48.9713 -26.8838 -47.6204 14.5451 TIMING: 4841600 CPU: 15312, 0.00320438/step Wall: 15312, 0.00320438/step, 0.140993 hours remaining, 235.085938 MB of memory in use. ENERGY: 4841600 3968.5538 20546.6617 14485.6182 231.2618 -203265.9623 2605.8849 0.0000 0.0000 51723.2990 -109704.6829 297.2545 -161427.9820 -109339.8659 298.0132 12.8029 45.1500 762519.6215 0.0193 0.0274 PRESSURE: 4841800 -45.0318 37.1293 7.1144 37.1282 -260.613 -158.126 7.11381 -158.126 -68.3362 GPRESSURE: 4841800 27.9524 5.60828 -42.7296 -39.2378 -174.933 -208.94 -18.7823 -140.616 -145.753 PRESSAVG: 4841800 38.4716 0.57542 21.1293 0.57542 4.61156 -34.1045 21.1294 -34.1044 8.25299 GPRESSAVG: 4841800 37.43 -0.058554 22.0792 -1.64903 5.22959 -35.3215 21.9311 -32.0776 8.69844 TIMING: 4841800 CPU: 15312.6, 0.00319574/step Wall: 15312.6, 0.00319574/step, 0.140435 hours remaining, 235.085938 MB of memory in use. ENERGY: 4841800 3999.8785 20327.0955 14484.3483 228.5085 -203325.7277 2575.9666 0.0000 0.0000 52028.3484 -109681.5820 299.0076 -161709.9304 -109313.0058 297.6844 -124.6602 -97.5778 761856.7777 17.1121 17.1194 PRESSURE: 4842000 -141.133 -351.809 -81.7879 -351.809 -12.9547 -280.084 -81.7879 -280.084 -161.026 GPRESSURE: 4842000 -72.5977 -301.635 -249.529 -273.397 -36.1104 -328.8 -77.9911 -275.517 -139.562 PRESSAVG: 4842000 -24.242 -56.0344 39.3218 -56.0344 7.3857 -41.988 39.3218 -41.988 2.30996 GPRESSAVG: 4842000 -23.9299 -56.8568 37.7161 -52.0987 7.75316 -39.2871 41.0122 -44.2894 1.81622 TIMING: 4842000 CPU: 15313.3, 0.00320261/step Wall: 15313.3, 0.00320261/step, 0.140559 hours remaining, 235.085938 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: 4842000 3955.6897 20422.1920 14478.7806 249.8998 -203533.5596 2752.3136 0.0000 0.0000 52037.9086 -109636.7752 299.0626 -161674.6839 -109267.6611 298.0642 -105.0380 -82.7567 764057.7545 -4.8488 -4.7868 PRESSURE: 4842200 -304.409 -75.12 -117.021 -75.1196 -47.3597 -59.6148 -117.021 -59.6155 -143.979 GPRESSURE: 4842200 -250.247 14.1526 -76.286 -48.9537 -26.6009 59.7985 -64.3682 -68.7558 -126.59 PRESSAVG: 4842200 -2.0125 -0.0475227 -35.9585 -0.0476231 2.61525 -61.5698 -35.9584 -61.5698 3.64622 GPRESSAVG: 4842200 -0.62269 -0.254465 -33.805 -3.11806 1.85299 -64.0897 -36.9898 -58.418 2.82606 TIMING: 4842200 CPU: 15313.9, 0.00321788/step Wall: 15313.9, 0.00321788/step, 0.14105 hours remaining, 235.085938 MB of memory in use. ENERGY: 4842200 3915.3595 20547.6687 14500.4932 266.5888 -203103.1320 2447.8141 0.0000 0.0000 51938.5150 -109486.6927 298.4914 -161425.2077 -109120.9785 298.3907 -165.2491 -134.4792 763490.0895 1.4163 1.3521 PRESSURE: 4842400 -197.131 -3.12753 -133.047 -3.12782 65.2509 3.35808 -133.046 3.35909 -529.061 GPRESSURE: 4842400 -158.275 -17.7047 -92.2756 -24.5303 118.74 -39.8224 -102.533 64.3048 -542.584 PRESSAVG: 4842400 -31.0126 -51.0194 -0.757218 -51.0194 28.467 -43.2031 -0.757265 -43.2032 9.46926 GPRESSAVG: 4842400 -31.4499 -50.4545 -1.86496 -49.3993 29.396 -42.2227 -1.8665 -44.6301 9.64921 TIMING: 4842400 CPU: 15314.5, 0.00319287/step Wall: 15314.5, 0.00319287/step, 0.139777 hours remaining, 235.085938 MB of memory in use. ENERGY: 4842400 3955.7016 20447.2845 14506.5799 249.6161 -203032.7255 2566.0108 0.0000 0.0000 51891.7114 -109415.8212 298.2224 -161307.5326 -109059.4050 298.5108 -220.3139 -194.0397 764897.6104 2.3079 2.5318 PRESSURE: 4842600 -363.744 -4.66652 -63.6205 -4.66647 26.5837 -32.7575 -63.6203 -32.7571 -327.089 GPRESSURE: 4842600 -364.226 22.2454 -82.7503 -59.6939 94.3013 -55.0278 39.0271 -33.6241 -309.894 PRESSAVG: 4842600 -13.3697 -36.4512 -1.7548 -36.4511 29.652 19.3752 -1.75489 19.3752 3.09101 GPRESSAVG: 4842600 -13.4604 -37.0791 -2.57974 -36.4412 29.1747 20.5984 -0.552 17.9275 3.96607 TIMING: 4842600 CPU: 15315.2, 0.00320487/step Wall: 15315.2, 0.00320487/step, 0.140124 hours remaining, 235.085938 MB of memory in use. ENERGY: 4842600 4019.0572 20248.4204 14475.4380 241.3576 -203173.5583 2503.7161 0.0000 0.0000 52142.1324 -109543.4366 299.6616 -161685.5690 -109165.1430 298.6687 -221.4162 -193.2727 764112.9996 6.4578 6.5601 PRESSURE: 4842800 444.734 141.103 -128.266 141.102 465.726 -4.18411 -128.266 -4.18441 -125.386 GPRESSURE: 4842800 505.483 93.4795 -13.8882 208.55 448.642 -47.7693 -46.8972 9.47132 -66.0221 PRESSAVG: 4842800 -2.06264 -24.1128 17.6644 -24.1128 42.6535 -34.8386 17.6645 -34.8386 17.1958 GPRESSAVG: 4842800 -1.31568 -24.1621 18.6981 -23.242 43.0013 -37.0084 17.8556 -32.3188 17.3427 TIMING: 4842800 CPU: 15315.8, 0.00319389/step Wall: 15315.8, 0.00319389/step, 0.139467 hours remaining, 235.085938 MB of memory in use. ENERGY: 4842800 3934.7998 20436.0218 14582.9346 219.0269 -203483.2499 2752.7877 0.0000 0.0000 51958.9327 -109598.7463 298.6087 -161557.6791 -109234.5084 298.3520 261.6914 296.0344 763901.4148 19.2622 19.6761 PRESSURE: 4843000 82.4723 44.0611 70.9289 44.0611 6.10319 42.1354 70.9278 42.1362 -405.243 GPRESSURE: 4843000 121.53 47.7509 141.242 55.2723 25.2911 -14.015 -54.328 -11.4331 -368.427 PRESSAVG: 4843000 18.7575 -9.58981 -6.29212 -9.58974 -3.81022 -2.7838 -6.29206 -2.78387 -8.16309 GPRESSAVG: 4843000 18.3981 -8.39604 -5.70775 -10.6788 -3.13828 -1.40634 -5.67624 -3.83729 -8.32145 TIMING: 4843000 CPU: 15316.5, 0.00318546/step Wall: 15316.5, 0.00318546/step, 0.138922 hours remaining, 235.085938 MB of memory in use. ENERGY: 4843000 4027.4935 20464.3602 14492.7471 248.1484 -203698.4317 2896.0987 0.0000 0.0000 51958.7018 -109610.8819 298.6074 -161569.5837 -109251.9160 298.3658 -105.5558 -73.8689 761225.7469 2.2614 2.3128 PRESSURE: 4843200 104.413 -147.706 113.579 -147.707 -136.91 -14.9676 113.58 -14.9673 199.369 GPRESSURE: 4843200 108.345 -333.69 166.132 -44.4325 -77.4771 58.5091 112.986 30.2353 207.12 PRESSAVG: 4843200 19.7363 5.64251 -9.57954 5.64252 -44.1957 -1.16247 -9.57952 -1.16241 -3.08718 GPRESSAVG: 4843200 20.2486 3.69639 -10.7808 5.64367 -43.8783 -1.77872 -9.09573 -0.17783 -3.93924 TIMING: 4843200 CPU: 15317.1, 0.00318168/step Wall: 15317.1, 0.00318168/step, 0.13858 hours remaining, 235.085938 MB of memory in use. ENERGY: 4843200 4044.0931 20706.8057 14511.8323 240.9869 -203657.2734 2732.4490 0.0000 0.0000 52054.0734 -109367.0330 299.1555 -161421.1064 -109000.8642 298.8458 55.6238 79.3293 762329.7810 -9.1822 -9.1896 PRESSURE: 4843400 -40.1122 -163.826 69.4144 -163.826 202.797 -8.88283 69.4151 -8.88205 -53.721 GPRESSURE: 4843400 32.1612 -248.596 169.248 -225.203 228.16 7.77725 61.1593 -110.603 -63.8996 PRESSAVG: 4843400 21.4807 7.35003 -3.14145 7.35 -54.7352 -10.2 -3.14142 -10.2001 3.23598 GPRESSAVG: 4843400 20.3621 10.5349 -2.07465 5.29834 -54.1346 -9.79586 -5.73616 -11.3741 4.36729 TIMING: 4843400 CPU: 15317.7, 0.00318251/step Wall: 15317.7, 0.00318251/step, 0.138439 hours remaining, 235.085938 MB of memory in use. ENERGY: 4843400 4045.1809 20591.3794 14442.9840 247.2233 -203547.1614 2824.3154 0.0000 0.0000 52023.4146 -109372.6638 298.9793 -161396.0784 -109016.5754 298.9207 36.3212 65.4740 762822.1605 -10.0062 -9.8017 PRESSURE: 4843600 49.9916 -0.331804 -300.942 -0.33175 245.739 -152.053 -300.942 -152.053 -131.119 GPRESSURE: 4843600 27.1219 -87.3014 -379.279 7.41294 337.793 -107.464 -165.879 -64.8816 -108.127 PRESSAVG: 4843600 39.9577 1.22664 2.32925 1.22661 -13.9751 -44.2442 2.32925 -44.2441 -11.726 GPRESSAVG: 4843600 40.8267 -1.09681 1.16403 2.99922 -14.8278 -43.7822 3.07825 -44.1298 -11.2775 TIMING: 4843600 CPU: 15318.4, 0.00315682/step Wall: 15318.4, 0.00315682/step, 0.137146 hours remaining, 235.085938 MB of memory in use. ENERGY: 4843600 3951.3159 20465.4137 14566.5664 238.4963 -203444.2935 2736.9318 0.0000 0.0000 52024.7945 -109460.7749 298.9872 -161485.5694 -109100.6704 299.1429 54.8705 85.5960 762936.4718 4.7522 4.9071 PRESSURE: 4843800 -112.586 -58.9926 -5.67808 -58.9937 -105.495 68.8832 -5.67792 68.8836 -20.5919 GPRESSURE: 4843800 -38.0609 -140.047 13.4012 -109.969 -130.418 38.5678 59.5012 -116.612 16.3429 PRESSAVG: 4843800 -21.6708 -24.6034 -0.256703 -24.6034 -42.2667 -11.8081 -0.256697 -11.8081 15.5138 GPRESSAVG: 4843800 -20.0763 -23.5492 0.63907 -24.9978 -43.8185 -12.7873 -0.788057 -12.4313 15.2884 TIMING: 4843800 CPU: 15319, 0.00316224/step Wall: 15319, 0.00316224/step, 0.137206 hours remaining, 235.085938 MB of memory in use. ENERGY: 4843800 4019.6155 20621.6112 14561.0632 250.8438 -203271.4521 2546.3556 0.0000 0.0000 51900.3542 -109371.6085 298.2720 -161271.9627 -109026.0869 299.0429 -79.5578 -50.7120 763047.9756 -16.1412 -16.2021 PRESSURE: 4844000 151.556 -189.898 -174.415 -189.898 -41.3233 -215.624 -174.415 -215.624 -27.4795 GPRESSURE: 4844000 242.378 -157.827 -150.746 -71.1011 -59.2709 -161.709 -21.1171 -198.08 4.00221 PRESSAVG: 4844000 19.7573 -52.7736 -16.3959 -52.7736 -2.98654 -1.40674 -16.3959 -1.40679 19.6692 GPRESSAVG: 4844000 18.9568 -53.9196 -16.9694 -50.7783 -1.75816 -0.757061 -16.5202 0.663249 19.9961 TIMING: 4844000 CPU: 15319.6, 0.00319242/step Wall: 15319.6, 0.00319242/step, 0.138338 hours remaining, 235.085938 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: 4844000 3988.0557 20486.6716 14571.1126 239.8430 -203740.7704 2927.5672 0.0000 0.0000 52091.5993 -109435.9209 299.3711 -161527.5202 -109072.4927 298.6675 27.5843 62.3699 763418.4914 12.1466 12.3982 PRESSURE: 4844200 -44.7669 -117.138 -86.8187 -117.137 -23.6966 -183.969 -86.8186 -183.968 -387.145 GPRESSURE: 4844200 63.8734 -91.6684 -145.597 -219.018 -52.6718 -137.753 36.8368 -173.569 -379.962 PRESSAVG: 4844200 -30.5122 -43.4834 -12.342 -43.4834 -17.782 -38.2262 -12.342 -38.2263 3.27282 GPRESSAVG: 4844200 -31.8272 -41.8213 -10.5399 -46.0717 -16.8421 -37.4347 -11.2206 -41.6126 3.27739 TIMING: 4844200 CPU: 15320.3, 0.00316934/step Wall: 15320.3, 0.00316933/step, 0.137162 hours remaining, 235.085938 MB of memory in use. ENERGY: 4844200 3989.1680 20523.2585 14594.8092 259.7927 -203638.4278 2529.6233 0.0000 0.0000 52128.1595 -109613.6166 299.5812 -161741.7761 -109244.4932 298.6447 -151.8694 -122.9202 761309.3496 -15.0071 -15.1306 LDB: ============= START OF LOAD BALANCING ============== 15332.8 LDB: ============== END OF LOAD BALANCING =============== 15332.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15332.8 LDB: ============= START OF LOAD BALANCING ============== 15333.1 LDB: Largest compute 7026 load 0.037435 is 19.1% of average load 0.195504 LDB: Average compute 0.004421 is 2.3% of average load 0.195504 LDB: TIME 15333.1 LOAD: AVG 0.195504 MAX 0.217506 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.922 MB LDB: TIME 15333.1 LOAD: AVG 0.195504 MAX 0.217506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: TIME 15333.1 LOAD: AVG 0.195504 MAX 0.217506 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.035 MB LDB: ============== END OF LOAD BALANCING =============== 15333.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15333.1 PRESSURE: 4844400 118.752 -275.518 175.794 -275.519 35.6332 -32.0122 175.794 -32.0125 -75.7796 GPRESSURE: 4844400 140.114 -221.735 196.279 -310.381 106.413 -24.1936 39.9005 -133.997 -85.1693 PRESSAVG: 4844400 -7.60116 -21.1831 -11.1535 -21.1832 -7.10458 -33.7291 -11.1535 -33.7291 -10.6639 GPRESSAVG: 4844400 -7.92565 -21.498 -13.8439 -20.7211 -7.01117 -34.5227 -10.2893 -31.1476 -10.1553 TIMING: 4844400 CPU: 15320.9, 0.0032409/step Wall: 15320.9, 0.0032409/step, 0.140079 hours remaining, 236.164062 MB of memory in use. ENERGY: 4844400 4009.8601 20584.5376 14516.8267 236.1733 -203845.1117 2648.3448 0.0000 0.0000 52221.9447 -109627.4244 300.1202 -161849.3691 -109264.7292 298.9543 26.2020 53.7861 760589.6176 -8.4565 -8.3640 PRESSURE: 4844600 2.80424 -224.894 -57.7592 -224.893 211.381 152.431 -57.759 152.431 166.654 GPRESSURE: 4844600 42.4232 -169.591 -47.9351 -217.258 258.695 141.442 -40.854 40.5962 175.537 PRESSAVG: 4844600 33.1057 -34.6301 29.8178 -34.6301 -4.60082 -68.0067 29.8177 -68.0067 -15.051 GPRESSAVG: 4844600 33.8051 -36.5293 31.4926 -32.6529 -5.11691 -68.7968 28.3987 -67.5989 -15.1654 TIMING: 4844600 CPU: 15321.6, 0.00317205/step Wall: 15321.6, 0.00317205/step, 0.136927 hours remaining, 236.421875 MB of memory in use. ENERGY: 4844600 3983.5532 20472.3145 14580.2912 231.1636 -203611.3878 2632.0083 0.0000 0.0000 51827.2465 -109884.8105 297.8519 -161712.0570 -109518.3273 298.4234 126.9461 158.8853 762667.0398 4.4846 4.5076 PRESSURE: 4844800 -36.3049 -236.553 -70.1561 -236.554 -12.2711 -155.578 -70.1568 -155.578 188.423 GPRESSURE: 4844800 -25.4708 -175.532 -80.0499 -204.028 53.1696 -264.039 7.17461 -60.2364 226.361 PRESSAVG: 4844800 -19.6754 -44.8987 8.44095 -44.8987 49.541 -26.9858 8.44096 -26.9857 10.721 GPRESSAVG: 4844800 -20.5425 -44.611 8.15577 -42.8846 51.1533 -25.1218 9.10736 -29.3479 9.6252 TIMING: 4844800 CPU: 15322.2, 0.00318165/step Wall: 15322.2, 0.00318165/step, 0.137164 hours remaining, 236.558594 MB of memory in use. ENERGY: 4844800 3970.0698 20492.7344 14574.7084 257.3315 -204081.4096 2711.7546 0.0000 0.0000 52134.6650 -109940.1460 299.6186 -162074.8110 -109586.7064 297.9808 46.6155 84.6866 761238.5232 13.5289 13.4120 PRESSURE: 4845000 225.851 -81.1773 142.713 -81.1766 87.606 -65.3051 142.712 -65.3056 402.99 GPRESSURE: 4845000 265.183 -167.264 143.453 -0.200134 116.175 -33.1738 -14.6908 -21.6033 427.277 PRESSAVG: 4845000 1.88515 -38.4779 24.1066 -38.4779 -38.1267 -8.71213 24.1066 -8.71211 8.76813 GPRESSAVG: 4845000 2.38303 -39.6517 23.3552 -39.0465 -38.5777 -10.7138 22.6655 -8.63998 9.3513 TIMING: 4845000 CPU: 15322.8, 0.00318227/step Wall: 15322.8, 0.00318227/step, 0.137014 hours remaining, 236.800781 MB of memory in use. ENERGY: 4845000 3905.1205 20650.1196 14612.2343 241.8330 -204086.8418 2876.1963 0.0000 0.0000 51823.8599 -109977.4782 297.8324 -161801.3381 -109615.7532 298.2981 238.8154 269.5448 760791.0856 -9.1578 -8.9478 PRESSURE: 4845200 141.454 -189.096 111.869 -189.096 81.1806 100.17 111.87 100.17 -14.8643 GPRESSURE: 4845200 189.411 -216.149 115.708 -137.133 109.336 107.024 5.25476 -51.3989 -16.1198 PRESSAVG: 4845200 16.4545 -40.5844 71.0677 -40.5844 3.2736 10.9556 71.0677 10.9557 20.1361 GPRESSAVG: 4845200 16.9551 -39.208 72.8927 -41.9741 2.68659 12.5247 70.656 11.6745 20.1604 TIMING: 4845200 CPU: 15323.5, 0.00317886/step Wall: 15323.5, 0.00317886/step, 0.136691 hours remaining, 236.800781 MB of memory in use. ENERGY: 4845200 4002.0119 20615.0366 14479.9723 233.7668 -204035.2233 3001.8367 0.0000 0.0000 51928.5532 -109774.0457 298.4341 -161702.5989 -109418.4078 298.2373 69.2566 94.2088 760192.6076 13.2881 13.2674 PRESSURE: 4845400 -252.361 -143.025 -307.47 -143.025 -48.8498 -84.9173 -307.47 -84.9179 185.655 GPRESSURE: 4845400 -207.716 -168.896 -295.843 -55.8727 -45.3817 -117.596 -200.038 47.556 222.587 PRESSAVG: 4845400 -29.7788 -25.3015 23.5158 -25.3015 11.4749 4.63017 23.5157 4.63005 16.9535 GPRESSAVG: 4845400 -30.4467 -25.3233 23.4832 -24.2386 11.6174 3.1574 23.8454 6.22509 18.0191 TIMING: 4845400 CPU: 15324.1, 0.00319999/step Wall: 15324.1, 0.00319999/step, 0.137422 hours remaining, 236.800781 MB of memory in use. ENERGY: 4845400 4030.6118 20495.0606 14533.1215 235.3123 -203625.1019 2781.2895 0.0000 0.0000 51694.1036 -109855.6026 297.0867 -161549.7062 -109495.8268 298.2155 -38.5184 -10.1702 761247.1680 -0.4502 -0.2701 PRESSURE: 4845600 267.56 -17.2493 209.977 -17.2495 -89.3491 119.233 209.977 119.232 -357.849 GPRESSURE: 4845600 303.952 4.18259 238.424 -26.7575 -57.5133 109.81 273.909 241.367 -352.948 PRESSAVG: 4845600 9.7252 27.3955 -14.6522 27.3955 -17.1433 -24.2245 -14.6522 -24.2245 -20.7662 GPRESSAVG: 4845600 9.61941 28.3736 -15.4615 24.7225 -17.9346 -23.7829 -13.6363 -25.2829 -19.7089 TIMING: 4845600 CPU: 15324.7, 0.00319291/step Wall: 15324.7, 0.00319291/step, 0.13694 hours remaining, 236.800781 MB of memory in use. ENERGY: 4845600 4049.3239 20474.5515 14563.0573 239.8185 -203952.0486 2796.8575 0.0000 0.0000 51949.9847 -109878.4553 298.5573 -161828.4400 -109509.2646 298.0074 -59.8794 -35.5028 761322.4416 -9.3948 -9.3414 PRESSURE: 4845800 82.8287 115.99 194.196 115.99 -81.6558 -19.4688 194.195 -19.4691 -89.6648 GPRESSURE: 4845800 163.422 97.0062 196.869 107.157 -40.9622 -65.4574 15.7735 59.9854 -110.561 PRESSAVG: 4845800 83.2908 4.43365 23.0506 4.43372 -53.365 41.1101 23.0507 41.1101 0.431444 GPRESSAVG: 4845800 82.9168 3.22901 24.6407 5.65005 -51.3136 42.7338 22.2444 41.501 -1.10227 TIMING: 4845800 CPU: 15325.4, 0.00320097/step Wall: 15325.4, 0.00320097/step, 0.137108 hours remaining, 236.800781 MB of memory in use. ENERGY: 4845800 3979.6932 20379.9847 14528.9576 245.1079 -203599.1288 2590.1001 0.0000 0.0000 52032.1634 -109843.1218 299.0296 -161875.2852 -109474.0131 298.6007 -29.4973 3.9663 761447.5249 10.1191 10.1670 PRESSURE: 4846000 237.787 -211.572 -28.0358 -211.571 -12.3238 195.742 -28.0359 195.742 -350.737 GPRESSURE: 4846000 328.912 -186.432 22.1277 -283.597 -14.8153 203.258 -91.3907 274.041 -365.697 PRESSAVG: 4846000 58.3376 -33.1639 27.5532 -33.1638 -50.3107 25.5775 27.5532 25.5774 0.661973 GPRESSAVG: 4846000 60.0862 -31.8727 24.6665 -33.4067 -51.3172 24.5225 29.9636 26.5007 0.00351387 TIMING: 4846000 CPU: 15326, 0.00318839/step Wall: 15326, 0.00318839/step, 0.136392 hours remaining, 236.800781 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: 4846000 4039.6509 20459.4827 14475.0822 250.9356 -203139.1481 2449.7326 0.0000 0.0000 51824.5603 -109639.7037 297.8365 -161464.2640 -109284.5311 298.6014 -41.7581 -17.2000 763133.2539 2.8963 2.9242 PRESSURE: 4846200 -57.4363 -43.7371 110.871 -43.7369 285.337 -91.0784 110.871 -91.078 -29.1752 GPRESSURE: 4846200 -28.5759 -128.86 48.5835 -102.629 312.659 -6.49076 136.924 -114.717 11.1499 PRESSAVG: 4846200 -26.4096 -23.4926 17.7706 -23.4926 3.35988 16.2482 17.7705 16.2482 13.0673 GPRESSAVG: 4846200 -27.6368 -23.2556 19.6074 -23.836 3.16489 14.7541 15.2878 16.6704 14.2349 TIMING: 4846200 CPU: 15326.7, 0.003182/step Wall: 15326.7, 0.003182/step, 0.135942 hours remaining, 236.800781 MB of memory in use. ENERGY: 4846200 3986.6458 20530.4408 14501.2626 233.9922 -203637.9778 2783.9126 0.0000 0.0000 51912.9548 -109688.7691 298.3445 -161601.7240 -109328.2823 298.5098 66.2418 98.4110 760456.2859 -3.3275 -3.4123 PRESSURE: 4846400 29.3234 89.862 -49.8022 89.8624 -398.195 -293.807 -49.802 -293.807 201.364 GPRESSURE: 4846400 75.3944 25.7897 11.0494 110.515 -266.363 -391.901 -197.171 -288.201 116.622 PRESSAVG: 4846400 17.6873 -35.5211 13.5087 -35.521 -45.3707 -35.4367 13.5087 -35.4367 24.7366 GPRESSAVG: 4846400 19.3121 -37.8778 14.0658 -32.545 -46.2202 -33.4985 12.1989 -36.6357 23.1495 TIMING: 4846400 CPU: 15327.3, 0.00318583/step Wall: 15327.3, 0.00318583/step, 0.135929 hours remaining, 236.800781 MB of memory in use. ENERGY: 4846400 3958.2997 20543.5888 14580.7544 257.4182 -203446.6576 2419.6850 0.0000 0.0000 51819.4713 -109867.4401 297.8072 -161686.9115 -109495.7142 298.4080 -55.8361 -24.7823 760245.7659 -0.9823 -1.2529 PRESSURE: 4846600 247.409 -226.879 -1.55561 -226.879 -5.6352 196.34 -1.55566 196.34 239.632 GPRESSURE: 4846600 290.458 -159.162 48.4325 -258.196 -12.3261 244.361 67.497 120.442 285.322 PRESSAVG: 4846600 -9.16909 -41.7369 32.1133 -41.7369 17.7141 7.99871 32.1133 7.99871 -27.2032 GPRESSAVG: 4846600 -10.3641 -40.1715 33.2056 -42.4772 19.067 7.00653 33.2263 8.25414 -26.7219 TIMING: 4846600 CPU: 15327.9, 0.00317575/step Wall: 15327.9, 0.00317575/step, 0.135322 hours remaining, 236.800781 MB of memory in use. ENERGY: 4846600 3967.8299 20556.8995 14562.6209 248.1707 -204182.7505 3005.1565 0.0000 0.0000 51784.1240 -110057.9490 297.6041 -161842.0730 -109707.3524 297.8349 160.4684 187.8181 759861.0117 -6.2194 -6.0063 PRESSURE: 4846800 73.8404 -127.352 197.557 -127.353 -330.409 -195.729 197.557 -195.728 362.289 GPRESSURE: 4846800 73.3859 11.8084 236.96 -138.103 -268.067 -68.1647 185.254 -50.0558 389.962 PRESSAVG: 4846800 18.2516 -69.1995 9.11226 -69.1995 -31.4231 5.18132 9.11221 5.18129 -18.6596 GPRESSAVG: 4846800 18.6859 -67.874 7.21163 -69.8134 -32.3018 7.54846 11.0332 3.69077 -18.3367 TIMING: 4846800 CPU: 15328.6, 0.00320279/step Wall: 15328.6, 0.00320279/step, 0.136296 hours remaining, 236.800781 MB of memory in use. ENERGY: 4846800 4027.5293 20273.2576 14534.2267 237.6353 -203258.8042 2396.9126 0.0000 0.0000 51621.3016 -110167.9411 296.6683 -161789.2427 -109801.9841 297.2495 35.2400 65.0937 760844.5090 -10.6104 -10.6508 PRESSURE: 4847000 146.345 -143.009 86.6402 -143.009 323.578 -139.447 86.64 -139.447 -188.23 GPRESSURE: 4847000 190.671 -196.05 82.5374 -171.811 296.231 -113.302 -46.9418 -23.7382 -127.92 PRESSAVG: 4847000 36.5436 -47.6454 37.8704 -47.6453 13.6647 19.7713 37.8704 19.7712 -17.6091 GPRESSAVG: 4847000 36.5254 -48.7149 37.9917 -48.412 13.7367 16.8234 36.6546 21.8587 -17.4966 TIMING: 4847000 CPU: 15329.2, 0.00320105/step Wall: 15329.2, 0.00320105/step, 0.136045 hours remaining, 236.800781 MB of memory in use. ENERGY: 4847000 3967.1942 20643.1811 14501.4726 230.3609 -203673.1925 2428.0201 0.0000 0.0000 51644.8195 -110258.1442 296.8035 -161902.9637 -109906.0776 297.0927 93.8975 119.6609 759785.3551 10.8664 10.9219 PRESSURE: 4847200 -479.176 98.2841 -38.8211 98.284 13.6517 19.8872 -38.822 19.8867 -49.8649 GPRESSURE: 4847200 -387.366 -31.6785 -38.483 -8.24492 5.75527 13.3177 36.3571 -48.3177 -60.5341 PRESSAVG: 4847200 -26.0929 -8.9702 19.0416 -8.97026 0.711759 -27.0889 19.0416 -27.0889 11.5371 GPRESSAVG: 4847200 -25.8201 -11.3962 19.6536 -7.89263 1.09142 -27.2517 18.9988 -27.385 11.3569 TIMING: 4847200 CPU: 15329.9, 0.00318955/step Wall: 15329.9, 0.00318955/step, 0.135379 hours remaining, 236.800781 MB of memory in use. ENERGY: 4847200 3987.2299 20552.5580 14512.5279 246.0591 -203727.1028 2645.9807 0.0000 0.0000 51525.3080 -110257.4392 296.1167 -161782.7472 -109899.9033 296.6858 -171.7964 -147.3816 761891.1619 -4.6147 -4.4573 PRESSURE: 4847400 245.137 -218.261 39.6066 -218.26 139.751 308.872 39.6067 308.872 44.6145 GPRESSURE: 4847400 262.966 -28.9422 115.58 -225.305 186.025 224.275 -42.1551 286.348 65.2076 PRESSAVG: 4847400 48.1473 -29.5463 53.3406 -29.5463 -35.637 30.6965 53.3406 30.6965 0.743833 GPRESSAVG: 4847400 46.8273 -30.1374 53.2137 -27.3108 -34.7879 31.7233 53.5043 30.3988 0.983635 TIMING: 4847400 CPU: 15330.5, 0.00319842/step Wall: 15330.5, 0.00319842/step, 0.135577 hours remaining, 236.800781 MB of memory in use. ENERGY: 4847400 4000.9916 20399.5106 14585.6730 250.0242 -203891.0599 2618.4065 0.0000 0.0000 51946.6797 -110089.7743 298.5383 -162036.4540 -109722.8444 297.2437 143.1673 171.3995 760105.6615 4.4180 4.3410 PRESSURE: 4847600 257.845 -110.651 276.401 -110.652 -116.993 181.126 276.401 181.126 115.237 GPRESSURE: 4847600 307.247 -24.5931 217.978 -41.6152 -62.9926 198.554 207.874 200.779 99.8928 PRESSAVG: 4847600 4.23746 -19.4662 11.977 -19.4662 -7.22369 21.2461 11.977 21.2462 5.96328 GPRESSAVG: 4847600 5.58778 -20.2903 12.2295 -20.5737 -8.35288 19.3516 11.0242 20.3083 5.6772 TIMING: 4847600 CPU: 15331.1, 0.00320237/step Wall: 15331.1, 0.00320237/step, 0.135567 hours remaining, 236.800781 MB of memory in use. ENERGY: 4847600 3941.9101 20311.0318 14536.4674 234.2001 -203298.2247 2355.9278 0.0000 0.0000 51768.8148 -110149.8728 297.5161 -161918.6876 -109779.1280 297.5707 85.3633 114.7159 760523.2781 0.9924 0.9707 PRESSURE: 4847800 -78.2558 -60.7983 -309.279 -60.7987 -94.0218 11.5368 -309.279 11.5362 -444.916 GPRESSURE: 4847800 46.141 -132.888 -301.349 -142.151 -130.708 -91.4624 -304.858 70.1518 -433.513 PRESSAVG: 4847800 57.2438 -26.5176 12.2157 -26.5176 -30.8945 45.1878 12.2157 45.1877 8.38886 GPRESSAVG: 4847800 57.3234 -22.9662 12.1343 -29.0373 -30.5861 46.5684 11.8059 46.7004 7.85709 TIMING: 4847800 CPU: 15331.8, 0.00322374/step Wall: 15331.8, 0.00322374/step, 0.136292 hours remaining, 236.800781 MB of memory in use. ENERGY: 4847800 3891.1415 20446.9474 14535.5917 271.4610 -203414.2358 2438.9634 0.0000 0.0000 51833.7008 -109996.4300 297.8890 -161830.1307 -109628.0513 297.2407 -205.7313 -172.6932 759744.8370 11.5794 11.5315 PRESSURE: 4848000 152.868 -20.4852 140.963 -20.4856 250.787 -21.6247 140.963 -21.6256 649.931 GPRESSURE: 4848000 177.088 81.2971 263.038 -73.6072 244.713 -10.0445 15.5224 -35.4609 708.062 PRESSAVG: 4848000 33.9058 -69.9189 13.6323 -69.9189 -18.6615 -30.271 13.6323 -30.271 5.8716 GPRESSAVG: 4848000 33.3043 -70.2178 14.273 -69.45 -17.9995 -30.9017 16.0887 -30.9656 6.24531 TIMING: 4848000 CPU: 15332.4, 0.00320355/step Wall: 15332.4, 0.00320355/step, 0.135261 hours remaining, 236.800781 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: 4848000 3933.7453 20678.0255 14489.7499 247.7779 -203851.0144 2923.8501 0.0000 0.0000 51551.1900 -110026.6758 296.2654 -161577.8657 -109670.6311 297.5462 351.1953 376.6208 759574.3673 7.0386 7.1834 PRESSURE: 4848200 65.2086 120.634 -48.0336 120.635 98.9529 283.166 -48.0333 283.166 -94.1491 GPRESSURE: 4848200 200.413 85.2739 -88.5547 31.3239 74.8079 235.608 -41.7956 211.366 -111.106 PRESSAVG: 4848200 -0.843489 22.946 17.3604 22.9459 -0.519036 10.4121 17.3604 10.4122 -1.30034 GPRESSAVG: 4848200 0.417088 23.6401 16.0969 22.8583 -1.86014 12.1088 16.1102 8.48706 -1.46055 TIMING: 4848200 CPU: 15333.1, 0.00318323/step Wall: 15333.1, 0.00318323/step, 0.134226 hours remaining, 236.800781 MB of memory in use. ENERGY: 4848200 4009.0427 20517.2504 14520.0184 243.5181 -203471.6243 2597.6182 0.0000 0.0000 51767.2304 -109816.9461 297.5070 -161584.1765 -109458.0366 297.6332 23.3375 54.7049 759876.6636 -0.8876 -0.9679 LDB: ============= START OF LOAD BALANCING ============== 15345.6 LDB: ============== END OF LOAD BALANCING =============== 15345.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15345.6 LDB: ============= START OF LOAD BALANCING ============== 15345.9 LDB: Largest compute 7077 load 0.038024 is 19.4% of average load 0.195544 LDB: Average compute 0.004397 is 2.2% of average load 0.195544 LDB: TIME 15345.9 LOAD: AVG 0.195544 MAX 0.213949 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.359 MB LDB: TIME 15345.9 LOAD: AVG 0.195544 MAX 0.213949 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.363 MB LDB: TIME 15345.9 LOAD: AVG 0.195544 MAX 0.213949 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.363 MB LDB: ============== END OF LOAD BALANCING =============== 15345.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15345.9 PRESSURE: 4848400 -31.1043 105.757 234.922 105.756 -312.199 -113.846 234.922 -113.845 -62.5534 GPRESSURE: 4848400 52.1371 91.3158 234.264 -2.2731 -201.485 -48.1604 164.98 -121.058 -171.809 PRESSAVG: 4848400 41.1337 -31.3375 47.0206 -31.3374 -12.1592 20.8666 47.0205 20.8666 9.72454 GPRESSAVG: 4848400 39.8739 -33.0948 47.6274 -31.8931 -10.5502 19.1293 47.7197 22.7184 9.31352 TIMING: 4848400 CPU: 15333.7, 0.00324655/step Wall: 15333.7, 0.00324655/step, 0.136716 hours remaining, 236.386719 MB of memory in use. ENERGY: 4848400 3940.1898 20583.5009 14543.1591 245.4662 -203557.8326 2547.7084 0.0000 0.0000 51761.0868 -109936.7214 297.4717 -161697.8083 -109584.5797 298.0327 -135.2854 -107.0523 761618.0342 12.8997 12.8791 PRESSURE: 4848600 308.724 -53.4934 119.802 -53.4936 130.483 -10.5281 119.802 -10.5273 18.3302 GPRESSURE: 4848600 294.153 -100.868 180.972 -32.2293 186.115 -64.9041 -12.8568 1.07343 50.7596 PRESSAVG: 4848600 8.76844 -32.6159 66.1265 -32.6159 -24.1656 12.0843 66.1266 12.0843 -2.02597 GPRESSAVG: 4848600 9.06108 -34.5741 66.124 -30.0771 -24.4777 13.4362 64.3966 11.8241 -1.90184 TIMING: 4848600 CPU: 15334.3, 0.00320181/step Wall: 15334.3, 0.00320181/step, 0.134654 hours remaining, 236.386719 MB of memory in use. ENERGY: 4848600 3993.2929 20598.2676 14481.4838 237.0231 -203612.8493 2694.8299 0.0000 0.0000 51709.1542 -109898.7979 297.1732 -161607.9521 -109543.6655 297.7982 152.5124 177.0094 761240.3446 -5.8077 -5.7728 PRESSURE: 4848800 -215.15 160.364 -290.434 160.365 -111.039 70.5234 -290.433 70.5233 -20.8088 GPRESSURE: 4848800 -160.288 50.2888 -379.888 194.539 -56.8376 112.965 -147.758 14.5609 -42.9909 PRESSAVG: 4848800 42.1856 7.85211 -38.5652 7.85214 -17.7603 19.5427 -38.5652 19.5426 -5.85702 GPRESSAVG: 4848800 42.208 9.91445 -39.2993 8.05397 -18.4859 19.4084 -34.7763 19.9221 -5.70397 TIMING: 4848800 CPU: 15335, 0.00320766/step Wall: 15335, 0.00320766/step, 0.134722 hours remaining, 236.386719 MB of memory in use. ENERGY: 4848800 4016.1412 20597.4054 14479.8693 235.5521 -204029.0230 2770.9371 0.0000 0.0000 51988.8159 -109940.3022 298.7804 -161929.1180 -109574.8465 297.9201 -115.6660 -86.7054 760096.5393 6.1894 6.0061 PRESSURE: 4849000 -166.44 -105.445 138.296 -105.445 -149.219 -11.8268 138.296 -11.8274 -32.5482 GPRESSURE: 4849000 -133.183 65.5376 160.184 -169.592 -64.5345 -19.9182 139.816 24.7239 -58.4617 PRESSAVG: 4849000 27.3962 12.0637 61.7849 12.0637 -77.4391 19.7077 61.7849 19.7077 5.46942 GPRESSAVG: 4849000 26.459 12.9753 63.155 9.40205 -77.0901 19.412 58.4226 18.2947 6.86435 TIMING: 4849000 CPU: 15335.6, 0.00319627/step Wall: 15335.6, 0.00319627/step, 0.134066 hours remaining, 236.441406 MB of memory in use. ENERGY: 4849000 3920.2571 20480.8820 14555.7226 245.0862 -203592.4627 2624.8207 0.0000 0.0000 51900.1491 -109865.5449 298.2709 -161765.6941 -109508.0609 298.2076 -116.0691 -85.3932 761529.9667 -14.8578 -14.5889 PRESSURE: 4849200 -104.41 -50.8348 -216.288 -50.835 382.374 90.2338 -216.288 90.2339 -289.524 GPRESSURE: 4849200 -12.698 3.42001 -233.207 -26.296 318.503 80.1444 -136.906 98.5326 -236.423 PRESSAVG: 4849200 49.1653 -27.8216 32.9978 -27.8216 -33.77 10.2512 32.9977 10.2512 5.04602 GPRESSAVG: 4849200 50.2895 -30.9059 31.3414 -26.4598 -34.1973 9.22104 32.8275 10.3549 3.74885 TIMING: 4849200 CPU: 15336.3, 0.00320157/step Wall: 15336.3, 0.00320157/step, 0.13411 hours remaining, 236.441406 MB of memory in use. ENERGY: 4849200 4075.1240 20340.3714 14563.1032 244.6717 -203475.8894 2425.4799 0.0000 0.0000 52082.5609 -109744.5784 299.3192 -161827.1393 -109382.4669 298.4915 -3.8532 23.1271 759510.5080 6.8138 6.6137 PRESSURE: 4849400 170.456 -28.3004 61.1525 -28.3002 -105.718 -219.263 61.1512 -219.264 304.194 GPRESSURE: 4849400 218.951 -117.439 66.4031 2.44354 -61.421 -158.011 125.206 -118.078 282.827 PRESSAVG: 4849400 -11.9383 6.37319 -13.3989 6.3732 -4.24436 9.75024 -13.3989 9.75024 20.1237 GPRESSAVG: 4849400 -12.4369 9.24822 -11.1704 5.85286 -3.89124 11.4101 -11.9956 11.6065 20.4744 TIMING: 4849400 CPU: 15336.9, 0.00320659/step Wall: 15336.9, 0.00320659/step, 0.134142 hours remaining, 236.441406 MB of memory in use. ENERGY: 4849400 3989.4023 20479.1680 14540.2363 267.7322 -203654.8826 2778.1605 0.0000 0.0000 51873.4474 -109726.7360 298.1174 -161600.1833 -109370.7982 298.6495 122.9773 146.7856 762019.6371 1.3137 1.3821 PRESSURE: 4849600 268.085 48.1949 188.535 48.1954 140.412 102.051 188.535 102.052 54.8096 GPRESSURE: 4849600 304.783 24.9986 196.823 -30.9483 145.595 131.594 155.359 154.917 104.264 PRESSAVG: 4849600 -0.880843 -21.0185 -3.05788 -21.0185 -2.29104 -18.7542 -3.05788 -18.7542 -1.00864 GPRESSAVG: 4849600 -1.33745 -19.8523 -6.06605 -21.5809 -3.53014 -19.2328 -2.07963 -20.9519 0.494816 TIMING: 4849600 CPU: 15337.5, 0.0031844/step Wall: 15337.5, 0.0031844/step, 0.133037 hours remaining, 236.441406 MB of memory in use. ENERGY: 4849600 3947.3648 20533.3367 14512.0089 248.3208 -203026.0896 2314.1581 0.0000 0.0000 51775.5059 -109695.3945 297.5545 -161470.9004 -109333.4697 298.5359 154.4355 184.8806 760658.2670 -1.3935 -1.4576 PRESSURE: 4849800 26.6711 9.46537 -60.4768 9.46527 -293.541 -70.4382 -60.4764 -70.4375 -113.119 GPRESSURE: 4849800 47.7672 56.8101 -132.198 -25.0369 -196.347 -120.049 2.64441 -127.42 -137.825 PRESSAVG: 4849800 28.6549 31.2471 76.9328 31.2471 -19.5941 7.53765 76.9328 7.53763 -2.46237 GPRESSAVG: 4849800 29.9565 28.9652 79.2734 33.2833 -17.8007 7.93212 76.0974 7.36794 -5.29466 TIMING: 4849800 CPU: 15338.2, 0.00317866/step Wall: 15338.2, 0.00317866/step, 0.132621 hours remaining, 236.441406 MB of memory in use. ENERGY: 4849800 4018.0639 20366.2099 14496.0052 244.7487 -203196.6137 2351.5831 0.0000 0.0000 51896.0718 -109823.9311 298.2474 -161720.0029 -109462.5900 298.4803 -126.6629 -95.4684 760591.3658 2.1995 2.2870 PRESSURE: 4850000 -36.7058 -169.19 -61.3613 -169.19 -194.995 -14.9328 -61.3612 -14.9333 147.303 GPRESSURE: 4850000 -6.48803 -160.626 -79.2378 -18.0602 -125.002 -37.2392 -61.644 -37.8965 126.909 PRESSAVG: 4850000 24.1252 0.87519 33.7924 0.875293 17.6379 2.69601 33.7923 2.69595 -10.6625 GPRESSAVG: 4850000 23.4342 3.24127 33.1339 -0.949093 15.7522 2.63637 34.9086 4.03878 -8.58869 TIMING: 4850000 CPU: 15338.8, 0.00316933/step Wall: 15338.8, 0.00316933/step, 0.132055 hours remaining, 236.441406 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: 4850000 3977.9619 20458.2559 14562.4093 238.3081 -203549.0190 2568.0592 0.0000 0.0000 51865.7876 -109878.2370 298.0734 -161744.0246 -109515.4378 298.2776 -28.1326 -1.5273 758444.9678 10.3669 10.1992 PRESSURE: 4850200 -213.104 -98.3697 -168.067 -98.3684 -82.9787 -168.35 -168.067 -168.35 -3.3858 GPRESSURE: 4850200 -143.03 -136.866 -140.247 -21.1381 -84.5738 -174.344 -51.5114 -155.694 22.6968 PRESSAVG: 4850200 8.63637 -2.18706 -17.9719 -2.18707 -6.92619 4.89342 -17.9719 4.89344 -17.9683 GPRESSAVG: 4850200 9.11459 -3.20052 -17.511 0.0956088 -6.76149 6.79655 -18.9469 1.08617 -18.3901 TIMING: 4850200 CPU: 15339.4, 0.00316996/step Wall: 15339.4, 0.00316996/step, 0.131905 hours remaining, 236.441406 MB of memory in use. ENERGY: 4850200 3946.3876 20504.6631 14556.9973 236.6198 -203624.3665 2742.7754 0.0000 0.0000 51938.4700 -109698.4532 298.4911 -161636.9232 -109337.4097 298.1143 -99.8227 -68.3023 762206.1309 -5.4194 -5.3457 PRESSURE: 4850400 209.555 -67.8896 70.84 -67.8893 53.3973 36.7266 70.8396 36.727 625.678 GPRESSURE: 4850400 300.999 -30.9974 23.8283 -86.7933 14.5453 73.4854 32.4226 62.4009 665.555 PRESSAVG: 4850400 -14.8535 27.8211 22.2953 27.8211 -5.86115 4.9562 22.2953 4.95623 7.72275 GPRESSAVG: 4850400 -13.8626 26.0425 23.4964 26.8003 -5.88209 3.5857 21.9132 9.00324 6.85486 TIMING: 4850400 CPU: 15340.1, 0.00317505/step Wall: 15340.1, 0.00317505/step, 0.131941 hours remaining, 236.441406 MB of memory in use. ENERGY: 4850400 3941.9670 20494.0199 14496.8801 237.0571 -203841.5996 2777.5974 0.0000 0.0000 52011.0237 -109883.0544 298.9081 -161894.0781 -109523.4642 298.6287 296.2102 327.0331 760184.6103 -4.3306 -4.2966 PRESSURE: 4850600 -130.705 -120.159 125.682 -120.158 -142.651 19.5615 125.683 19.5628 6.29251 GPRESSURE: 4850600 -133.766 -147.009 78.8732 -150.239 -107.359 -55.376 9.54456 -12.7857 51.2451 PRESSAVG: 4850600 13.6199 -76.4095 -22.6676 -76.4095 -26.8322 -16.4193 -22.6675 -16.4192 11.9902 GPRESSAVG: 4850600 12.3886 -75.9732 -24.7505 -75.3788 -26.4435 -18.0436 -20.5559 -17.6334 13.0398 TIMING: 4850600 CPU: 15340.7, 0.0031872/step Wall: 15340.7, 0.0031872/step, 0.132269 hours remaining, 236.441406 MB of memory in use. ENERGY: 4850600 4060.7322 20276.1658 14501.6692 258.2502 -203363.8318 2564.7048 0.0000 0.0000 51916.3939 -109785.9156 298.3642 -161702.3095 -109419.3183 298.1837 -89.0211 -63.2932 760815.9301 -0.4073 -0.3384 PRESSURE: 4850800 -148.414 83.5907 -76.8858 83.5913 -168.841 -22.5198 -76.8859 -22.5199 286.453 GPRESSURE: 4850800 -44.1992 -45.1357 -80.3224 71.2474 -179.664 -64.521 -151.012 -49.696 268.44 PRESSAVG: 4850800 35.9988 -33.4099 53.7679 -33.4099 -40.282 -22.0016 53.7678 -22.0016 -2.8802 GPRESSAVG: 4850800 37.3281 -31.612 53.9317 -35.2859 -40.1593 -22.2857 50.0361 -22.2521 -3.45854 TIMING: 4850800 CPU: 15341.4, 0.0031857/step Wall: 15341.4, 0.0031857/step, 0.13203 hours remaining, 236.441406 MB of memory in use. ENERGY: 4850800 3974.7354 20642.6738 14466.9127 258.4337 -203275.1067 2459.4444 0.0000 0.0000 51593.7666 -109879.1401 296.5101 -161472.9067 -109527.0199 298.1859 -10.2673 14.8591 760826.4271 -2.3878 -2.0966 PRESSURE: 4851000 213.991 45.7287 -55.2607 45.728 127.467 -239.333 -55.2608 -239.333 -68.1914 GPRESSURE: 4851000 212.52 98.0993 -141.63 142.495 196.645 -233.916 -62.5181 -225.271 -53.8064 PRESSAVG: 4851000 61.5286 30.5197 -4.86104 30.5198 -44.6843 -22.2643 -4.86108 -22.2643 -12.0546 GPRESSAVG: 4851000 61.6288 29.7315 -3.99567 32.9491 -44.789 -21.3942 -2.52849 -21.3919 -12.3232 TIMING: 4851000 CPU: 15342, 0.00319337/step Wall: 15342, 0.00319336/step, 0.13217 hours remaining, 236.441406 MB of memory in use. ENERGY: 4851000 3981.4723 20445.3507 14518.0284 232.4640 -203362.1926 2559.3616 0.0000 0.0000 51802.2521 -109823.2635 297.7083 -161625.5156 -109467.0484 298.2622 91.0889 118.4527 760460.3818 1.5966 1.5055 PRESSURE: 4851200 -273.732 197.136 -42.1723 197.135 131.783 245.484 -42.1735 245.485 404.904 GPRESSURE: 4851200 -198.171 103.98 -62.9037 72.2939 186.133 207.43 -16.3923 238.868 376.708 PRESSAVG: 4851200 22.5826 0.946749 -22.2856 0.946713 -8.72865 11.7415 -22.2856 11.7414 8.50391 GPRESSAVG: 4851200 23.0198 -0.715416 -22.7615 -0.764365 -9.50143 13.0661 -22.1037 10.5787 8.35548 TIMING: 4851200 CPU: 15342.6, 0.00320647/step Wall: 15342.6, 0.00320647/step, 0.132534 hours remaining, 236.441406 MB of memory in use. ENERGY: 4851200 4002.0564 20450.4119 14518.4823 247.4405 -203143.6763 2342.9025 0.0000 0.0000 51939.8147 -109642.5680 298.4988 -161582.3827 -109282.1081 298.4545 87.6513 121.5564 760219.8532 7.4526 7.2913 PRESSURE: 4851400 55.0263 -72.9196 -126.117 -72.9186 -163.423 188.794 -126.117 188.794 -283.493 GPRESSURE: 4851400 84.2789 -101.165 -90.1346 -6.61473 -117.853 243.309 -152.682 97.8356 -268.463 PRESSAVG: 4851400 11.4029 18.063 -4.93274 18.063 -0.449362 28.8213 -4.93272 28.8213 28.8038 GPRESSAVG: 4851400 11.9488 20.7765 -5.4216 18.8137 -1.41992 29.1092 -4.30635 27.5703 28.1684 TIMING: 4851400 CPU: 15343.3, 0.00319724/step Wall: 15343.3, 0.00319724/step, 0.131975 hours remaining, 236.441406 MB of memory in use. ENERGY: 4851400 4041.8741 20606.2791 14445.7711 255.3594 -203577.4098 2758.7101 0.0000 0.0000 51979.1368 -109490.2792 298.7248 -161469.4160 -109125.8095 298.7473 -130.6301 -100.6789 760326.3773 13.2524 12.8991 PRESSURE: 4851600 64.177 132.924 -176.063 132.923 -414.144 -168.216 -176.064 -168.215 202.534 GPRESSURE: 4851600 113.399 89.9102 -130.838 18.6388 -292.826 -211.133 -207.112 25.8255 130.696 PRESSAVG: 4851600 38.7817 -21.6705 -21.1537 -21.6706 -31.6643 -16.4323 -21.1538 -16.4323 -8.54644 GPRESSAVG: 4851600 37.3324 -22.6628 -19.7183 -21.8309 -30.6641 -17.655 -22.6127 -12.7589 -7.5492 TIMING: 4851600 CPU: 15343.9, 0.0031978/step Wall: 15343.9, 0.0031978/step, 0.13182 hours remaining, 236.441406 MB of memory in use. ENERGY: 4851600 4003.1734 20507.0810 14474.2561 259.9200 -203376.2785 2490.5964 0.0000 0.0000 51989.0062 -109652.2452 298.7815 -161641.2515 -109281.1090 298.7094 -49.1443 -16.2438 761599.1083 -0.4764 -0.2936 PRESSURE: 4851800 52.9186 0.784144 83.6623 0.78287 -76.3305 -87.8119 83.6627 -87.8114 131.187 GPRESSURE: 4851800 83.1753 -44.2191 64.3817 11.3064 -25.5961 5.36806 70.2828 -40.6056 127.285 PRESSAVG: 4851800 64.8895 1.52609 -12.4602 1.52602 -24.9549 -19.1866 -12.4603 -19.1866 -3.34071 GPRESSAVG: 4851800 64.8532 0.887366 -16.0405 0.399912 -23.8958 -19.1669 -10.8592 -20.668 -4.3581 TIMING: 4851800 CPU: 15344.5, 0.0031717/step Wall: 15344.5, 0.0031717/step, 0.130568 hours remaining, 236.441406 MB of memory in use. ENERGY: 4851800 3944.9170 20330.7727 14484.7957 254.0243 -203463.9676 2753.6194 0.0000 0.0000 52205.8737 -109489.9647 300.0279 -161695.8384 -109122.1685 298.6865 35.9250 61.6215 760274.5007 12.1980 12.1998 PRESSURE: 4852000 -156.606 29.5515 -198.556 29.5514 120.046 248.331 -198.556 248.331 104.597 GPRESSURE: 4852000 -145.887 74.2962 -132.019 25.7869 88.3403 215.321 20.6348 222.77 198.845 PRESSAVG: 4852000 -11.6078 30.9196 -22.0307 30.9196 3.38826 33.5103 -22.0307 33.5104 16.9511 GPRESSAVG: 4852000 -11.8111 32.1393 -20.7379 32.1913 0.930177 35.1492 -21.0865 31.1171 19.5935 TIMING: 4852000 CPU: 15345.2, 0.00320608/step Wall: 15345.2, 0.00320608/step, 0.131805 hours remaining, 236.441406 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: 4852000 3965.4407 20495.7208 14459.8173 253.9757 -203110.6086 2433.6523 0.0000 0.0000 51986.1795 -109515.8223 298.7653 -161502.0017 -109160.1010 298.7580 22.6794 47.0995 762294.5905 2.9105 2.9042 PRESSURE: 4852200 -195.204 -83.4606 -20.4698 -83.4614 -348.028 -58.4998 -20.4703 -58.5003 -245.161 GPRESSURE: 4852200 -72.1682 -139.005 48.6948 -18.2874 -372.133 -61.8152 0.318756 -57.7459 -251.051 PRESSAVG: 4852200 20.4589 -4.37125 -19.9758 -4.3713 -30.1803 22.0559 -19.9758 22.0558 -16.8879 GPRESSAVG: 4852200 20.0566 -5.62762 -17.8839 -4.17566 -28.2288 18.5447 -21.0931 24.2593 -18.029 TIMING: 4852200 CPU: 15345.8, 0.00320479/step Wall: 15345.8, 0.00320479/step, 0.131574 hours remaining, 236.441406 MB of memory in use. ENERGY: 4852200 3959.8886 20412.8439 14448.7784 240.9917 -203331.4136 2363.0236 0.0000 0.0000 52179.0297 -109726.8578 299.8736 -161905.8875 -109368.5703 298.2088 -262.7978 -231.7839 760970.8725 -8.8698 -8.7337 LDB: ============= START OF LOAD BALANCING ============== 15358.4 LDB: ============== END OF LOAD BALANCING =============== 15358.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15358.4 LDB: ============= START OF LOAD BALANCING ============== 15358.7 LDB: Largest compute 7077 load 0.036023 is 18.4% of average load 0.195599 LDB: Average compute 0.004384 is 2.2% of average load 0.195599 LDB: TIME 15358.7 LOAD: AVG 0.195599 MAX 0.221783 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.953 MB LDB: TIME 15358.7 LOAD: AVG 0.195599 MAX 0.221783 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: TIME 15358.7 LOAD: AVG 0.195599 MAX 0.217713 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.156 MB LDB: ============== END OF LOAD BALANCING =============== 15358.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15358.7 PRESSURE: 4852400 -69.3675 40.7552 50.6372 40.7545 286.859 81.6742 50.6373 81.6743 -149.528 GPRESSURE: 4852400 -49.7404 134.4 -12.3826 -97.0245 321.675 63.5264 1.49752 83.7718 -95.3319 PRESSAVG: 4852400 19.3586 -17.0854 11.9808 -17.0854 -14.2124 7.66247 11.9808 7.66247 0.713834 GPRESSAVG: 4852400 20.0844 -16.9526 10.2578 -15.4317 -14.6561 8.14653 10.3713 8.67337 0.594973 TIMING: 4852400 CPU: 15346.5, 0.00323454/step Wall: 15346.5, 0.00323454/step, 0.132616 hours remaining, 236.539062 MB of memory in use. ENERGY: 4852400 3940.4304 20461.4892 14451.2008 258.3100 -203386.2821 2508.9246 0.0000 0.0000 51961.5119 -109804.4152 298.6235 -161765.9271 -109443.2814 298.4095 22.6543 58.8675 762547.2102 1.9534 2.0078 PRESSURE: 4852600 -139.37 -51.0416 -74.5123 -51.0417 280.779 56.2045 -74.5136 56.2051 29.3925 GPRESSURE: 4852600 -39.3447 -22.0202 -55.3875 -67.9943 242.129 93.3065 -27.0357 72.5417 47.9999 PRESSAVG: 4852600 73.1237 -40.1853 -6.73121 -40.1853 -30.1555 32.6207 -6.73125 32.6207 -7.67755 GPRESSAVG: 4852600 73.3941 -38.9991 -7.76068 -42.056 -29.9349 31.2554 -6.98926 30.7492 -8.07259 TIMING: 4852600 CPU: 15347.1, 0.00317106/step Wall: 15347.1, 0.00317107/step, 0.129838 hours remaining, 236.871094 MB of memory in use. ENERGY: 4852600 4043.1626 20614.3711 14438.2260 250.2641 -203189.6400 2625.7601 0.0000 0.0000 51901.4941 -109316.3620 298.2786 -161217.8561 -108963.1901 298.4460 56.9339 83.5948 763427.9219 11.7636 11.7955 PRESSURE: 4852800 162.056 129.143 -288.185 129.143 -151.023 149.201 -288.185 149.2 12.1981 GPRESSURE: 4852800 88.9826 117.141 -253.068 85.0046 -67.5763 114.349 -310.67 85.5107 103.176 PRESSAVG: 4852800 -1.65357 -4.80554 -46.1445 -4.80557 -14.7156 27.0153 -46.1445 27.0153 19.6679 GPRESSAVG: 4852800 -2.25146 -5.87791 -44.3088 -5.59305 -14.8061 29.0874 -44.3287 28.365 20.2229 TIMING: 4852800 CPU: 15347.7, 0.00318514/step Wall: 15347.7, 0.00318514/step, 0.130237 hours remaining, 236.917969 MB of memory in use. ENERGY: 4852800 3991.7501 20515.4676 14502.5200 243.0714 -202875.5604 2380.4162 0.0000 0.0000 51874.8255 -109367.5097 298.1253 -161242.3352 -108995.0498 298.9655 7.7437 41.5275 764060.1131 1.0996 1.0551 PRESSURE: 4853000 -191.729 -197.941 161.789 -197.94 -359.513 188.458 161.788 188.457 143.207 GPRESSURE: 4853000 -100.193 -204.522 112.667 -163.357 -312.131 224.919 64.0987 127.569 92.255 PRESSAVG: 4853000 -30.8271 -48.5408 4.16983 -48.5409 49.6844 -19.4752 4.16988 -19.4752 13.6728 GPRESSAVG: 4853000 -29.6399 -48.6071 4.25261 -48.0039 49.0206 -18.8672 1.77662 -19.3786 13.3336 TIMING: 4853000 CPU: 15348.4, 0.00316528/step Wall: 15348.4, 0.00316528/step, 0.129249 hours remaining, 236.917969 MB of memory in use. ENERGY: 4853000 3925.9133 20618.7536 14562.7160 241.4082 -203059.8845 2386.7212 0.0000 0.0000 52215.5846 -109108.7875 300.0837 -161324.3721 -108750.1345 299.2960 -136.0115 -106.6895 762865.1712 10.8434 10.9047 PRESSURE: 4853200 -197.255 -109.611 -75.5527 -109.611 -4.70112 322.559 -75.5533 322.56 89.7292 GPRESSURE: 4853200 -38.8988 -114.321 -80.3836 -106.469 -75.179 242.922 32.3938 259.167 99.6224 PRESSAVG: 4853200 -5.19611 -77.5443 -17.1601 -77.5443 -20.3487 60.6192 -17.1601 60.6192 11.0096 GPRESSAVG: 4853200 -5.82217 -79.4829 -18.3929 -75.0599 -20.0018 60.6641 -14.2565 57.7893 11.1394 TIMING: 4853200 CPU: 15349, 0.00316146/step Wall: 15349, 0.00316146/step, 0.128917 hours remaining, 236.917969 MB of memory in use. ENERGY: 4853200 4066.1596 20684.1739 14524.4315 259.1576 -203019.5844 2407.3076 0.0000 0.0000 51833.5890 -109244.7650 297.8883 -161078.3540 -108884.1376 299.4844 -37.4089 -4.8185 762098.9084 -4.8451 -4.8949 PRESSURE: 4853400 -134.093 -151.267 27.9089 -151.268 -248.043 55.0419 27.9088 55.0427 -61.0599 GPRESSURE: 4853400 -106.148 -105.885 -87.2317 -177.755 -188.643 30.915 73.2105 31.2238 -50.1687 PRESSAVG: 4853400 72.5036 -43.9374 22.5932 -43.9374 -36.9145 1.67381 22.5932 1.67381 4.36201 GPRESSAVG: 4853400 73.8933 -41.8242 23.528 -45.8455 -36.4603 1.45192 19.4846 3.45412 2.62564 TIMING: 4853400 CPU: 15349.6, 0.0031695/step Wall: 15349.6, 0.0031695/step, 0.129069 hours remaining, 236.917969 MB of memory in use. ENERGY: 4853400 4035.8056 20443.8724 14512.5728 256.9738 -203311.4619 2550.0305 0.0000 0.0000 52346.2643 -109165.9426 300.8347 -161512.2069 -108804.1809 299.5921 -147.7322 -114.9868 760220.9682 13.3170 13.3529 PRESSURE: 4853600 -378.045 53.3054 -219.804 53.3061 -167.278 -147.636 -219.803 -147.636 -324.013 GPRESSURE: 4853600 -319.671 100.441 -229.408 5.52339 -67.224 -207.626 -147.723 -39.9726 -396.78 PRESSAVG: 4853600 -10.2229 -50.0161 -0.585312 -50.0161 -8.90962 3.1187 -0.585288 3.11861 -27.2601 GPRESSAVG: 4853600 -11.4891 -49.9381 -2.15075 -52.7345 -8.81035 0.926115 0.429943 5.45952 -26.0603 TIMING: 4853600 CPU: 15350.3, 0.00317745/step Wall: 15350.3, 0.00317745/step, 0.129216 hours remaining, 236.917969 MB of memory in use. ENERGY: 4853600 4096.0048 20905.0056 14530.0357 251.9562 -202919.3071 2260.2477 0.0000 0.0000 52126.6943 -108749.3627 299.5728 -160876.0571 -108395.5023 300.2365 -289.7787 -261.2250 759884.4000 -15.4642 -15.4532 PRESSURE: 4853800 -149.7 -184.388 19.3386 -184.387 109.742 76.6941 19.3373 76.6939 -359.692 GPRESSURE: 4853800 -40.1922 -51.7059 -66.3823 -137.483 29.8824 47.8265 -27.1331 22.1804 -310.782 PRESSAVG: 4853800 -5.30501 -23.3664 -2.62324 -23.3665 -23.8407 29.7181 -2.62324 29.718 -23.1583 GPRESSAVG: 4853800 -4.78765 -23.5968 -2.66128 -20.1806 -22.8794 31.2979 -1.75135 27.4557 -24.6963 TIMING: 4853800 CPU: 15350.9, 0.00316583/step Wall: 15350.9, 0.00316583/step, 0.128568 hours remaining, 236.917969 MB of memory in use. ENERGY: 4853800 4025.4774 20658.1668 14543.0932 250.8029 -202995.5576 2554.3701 0.0000 0.0000 52327.8202 -108635.8270 300.7287 -160963.6473 -108265.0579 300.5962 -133.2167 -107.0305 761105.1121 -17.4347 -17.4545 PRESSURE: 4854000 242.336 -53.9595 -91.5295 -53.9601 318.754 -139.685 -91.5295 -139.685 -109.841 GPRESSURE: 4854000 294.037 -177.544 -57.2924 -29.7875 311.607 -148.921 -190.664 -9.7974 -72.4523 PRESSAVG: 4854000 22.2736 -31.2938 4.98185 -31.2938 -34.2044 -6.05801 4.98188 -6.05798 8.61464 GPRESSAVG: 4854000 21.8685 -31.8207 6.99158 -31.066 -37.2858 -5.67496 1.87936 -4.00708 11.5676 TIMING: 4854000 CPU: 15351.5, 0.0031623/step Wall: 15351.5, 0.0031623/step, 0.128249 hours remaining, 236.917969 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: 4854000 3971.2867 20649.2136 14552.0121 251.0753 -202974.8149 2590.9565 0.0000 0.0000 52471.6948 -108488.5760 301.5556 -160960.2707 -108117.2690 301.2580 150.4164 177.7305 761399.0297 -1.1054 -1.2832 PRESSURE: 4854200 -414.869 -175.366 27.0679 -175.366 -191.184 -47.3783 27.0676 -47.379 -693.798 GPRESSURE: 4854200 -391.964 -66.0055 -24.4527 -195.921 -230.638 -36.9529 130.911 -262.993 -597.533 PRESSAVG: 4854200 50.443 -34.8753 1.11589 -34.8753 -53.0166 -1.12867 1.11586 -1.12868 -16.1547 GPRESSAVG: 4854200 51.0966 -33.1639 -0.475626 -38.1788 -52.0361 1.22571 3.72748 -3.74608 -18.0244 TIMING: 4854200 CPU: 15352.2, 0.00318328/step Wall: 15352.2, 0.00318328/step, 0.128923 hours remaining, 236.917969 MB of memory in use. ENERGY: 4854200 4048.1138 20502.5762 14590.6533 231.5869 -202378.0059 2042.1514 0.0000 0.0000 52505.3616 -108457.5627 301.7490 -160962.9243 -108085.4586 301.0677 -433.2837 -406.7116 763286.4161 -6.2428 -6.3213 PRESSURE: 4854400 55.5674 245.609 16.6242 245.609 -536.778 -271.249 16.6231 -271.249 -550.231 GPRESSURE: 4854400 88.0481 71.4804 67.7715 153.373 -446.461 -372.78 -42.4858 -149.264 -592.746 PRESSAVG: 4854400 31.9734 -33.908 32.0417 -33.908 -67.4679 -22.1628 32.0417 -22.1628 -19.4159 GPRESSAVG: 4854400 32.045 -36.0894 32.827 -32.0906 -67.5461 -23.0048 30.3679 -22.2674 -19.0376 TIMING: 4854400 CPU: 15352.8, 0.00317407/step Wall: 15352.8, 0.00317407/step, 0.128373 hours remaining, 236.917969 MB of memory in use. ENERGY: 4854400 4101.8130 20613.6286 14555.4637 268.2333 -203436.9714 2751.5207 0.0000 0.0000 52493.9985 -108652.3135 301.6837 -161146.3119 -108288.4977 300.9473 -343.8139 -317.0530 763495.0327 -18.3035 -18.1796 PRESSURE: 4854600 117.08 25.2195 217.891 25.2193 43.6427 -161.633 217.891 -161.631 -174.074 GPRESSURE: 4854600 113.898 39.6112 248.906 -81.3976 93.1419 -144.228 159.293 -133.594 -104.853 PRESSAVG: 4854600 12.1839 -26.5675 47.1925 -26.5675 -58.699 -13.7746 47.1925 -13.7745 -5.09853 GPRESSAVG: 4854600 13.0701 -27.2479 46.0593 -28.48 -58.1447 -15.7982 47.9096 -13.4048 -6.60567 TIMING: 4854600 CPU: 15353.5, 0.00318083/step Wall: 15353.5, 0.00318083/step, 0.12847 hours remaining, 236.917969 MB of memory in use. ENERGY: 4854600 4052.0986 20689.5197 14527.9539 258.2031 -203338.1578 2725.3816 0.0000 0.0000 52466.4656 -108618.5353 301.5255 -161085.0009 -108253.3779 301.0523 -4.4506 34.0621 762146.9018 -17.2046 -17.2267 PRESSURE: 4854800 211.593 -5.37135 32.3648 -5.37167 124.825 133.812 32.3641 133.812 226.224 GPRESSURE: 4854800 295.484 -14.8395 21.3935 42.7988 173.263 142.57 82.6701 79.163 184.994 PRESSAVG: 4854800 86.778 -18.8448 -25.196 -18.8448 -22.2292 57.7805 -25.1959 57.7805 1.7547 GPRESSAVG: 4854800 85.3787 -17.4794 -24.1051 -16.9508 -22.2054 59.6449 -25.4279 55.3451 3.37345 TIMING: 4854800 CPU: 15354.1, 0.00318874/step Wall: 15354.1, 0.00318874/step, 0.128613 hours remaining, 236.917969 MB of memory in use. ENERGY: 4854800 3939.8632 20633.6058 14563.0976 253.3937 -203204.9483 2606.8350 0.0000 0.0000 52262.6690 -108945.4840 300.3543 -161208.1530 -108581.2074 300.4625 187.5475 217.9139 760652.6354 22.1012 22.1823 PRESSURE: 4855000 -213.082 -179.808 -129.673 -179.808 -174.173 -195.565 -129.672 -195.565 -268.583 GPRESSURE: 4855000 -83.1439 -200.496 -58.0735 -163.875 -224.129 -126.336 -276.628 -202.267 -279.171 PRESSAVG: 4855000 39.0068 -40.9254 -21.4245 -40.9254 -14.5502 -11.7901 -21.4245 -11.7902 -26.4275 GPRESSAVG: 4855000 39.8397 -41.4008 -22.8426 -42.0704 -15.2564 -11.555 -19.4038 -12.159 -26.9599 TIMING: 4855000 CPU: 15354.7, 0.00318748/step Wall: 15354.7, 0.00318748/step, 0.128385 hours remaining, 236.917969 MB of memory in use. ENERGY: 4855000 4015.7733 20683.2837 14492.1205 262.9700 -203148.8063 2567.0634 0.0000 0.0000 52013.0923 -109114.5030 298.9200 -161127.5953 -108752.0841 300.2292 -218.6126 -195.4812 761743.9801 -0.6570 -0.7922 PRESSURE: 4855200 235.123 -76.2698 51.0868 -76.2695 -127.803 -154.473 51.0864 -154.473 -32.4611 GPRESSURE: 4855200 211.189 -110.34 45.0368 -111.116 -18.2385 -51.0512 75.9317 -110.021 -27.8162 PRESSAVG: 4855200 -19.3882 -29.7328 6.70067 -29.7328 -17.964 -20.3423 6.70065 -20.3423 -29.2989 GPRESSAVG: 4855200 -20.5051 -28.9854 6.65553 -30.4563 -17.2255 -20.4649 4.48478 -17.8016 -29.1939 TIMING: 4855200 CPU: 15355.4, 0.00316891/step Wall: 15355.4, 0.0031689/step, 0.12746 hours remaining, 236.917969 MB of memory in use. ENERGY: 4855200 4015.2857 20661.0008 14520.8828 247.9146 -203598.4631 2801.6626 0.0000 0.0000 52236.1225 -109115.5941 300.2017 -161351.7166 -108763.4198 299.6245 24.9528 55.0448 760392.5332 -22.2170 -22.3082 PRESSURE: 4855400 -18.193 75.7744 -82.2879 75.7738 -196.581 -131.449 -82.2877 -131.447 11.4276 GPRESSURE: 4855400 -21.382 -59.1879 -12.9081 207.414 -129.475 -123.163 -1.23798 -188.621 19.4261 PRESSAVG: 4855400 45.9863 38.7315 14.3031 38.7315 -52.6833 -21.9486 14.3031 -21.9485 -14.5354 GPRESSAVG: 4855400 47.3961 37.8058 14.7836 39.7504 -53.7421 -22.0469 15.4877 -22.1009 -14.6467 TIMING: 4855400 CPU: 15356, 0.00317416/step Wall: 15356, 0.00317416/step, 0.127496 hours remaining, 236.917969 MB of memory in use. ENERGY: 4855400 4065.4669 20610.3063 14457.2831 255.7045 -203414.1870 2797.6749 0.0000 0.0000 52116.2297 -109111.5216 299.5127 -161227.7513 -108753.2488 299.9931 -67.7822 -43.8102 760449.4089 -7.0775 -6.9975 PRESSURE: 4855600 -238.289 92.4662 -53.0475 92.4666 -125.124 -246.389 -53.047 -246.39 -420.774 GPRESSURE: 4855600 -299.173 4.65187 -5.8196 40.6781 -57.5318 -184.149 -143.207 -180.026 -347.555 PRESSAVG: 4855600 57.6662 -15.9263 -27.5485 -15.9263 -33.4926 11.8646 -27.5485 11.8647 -2.92684 GPRESSAVG: 4855600 55.8222 -14.1403 -27.7518 -16.4172 -32.0236 10.9918 -29.1521 13.0247 -2.44979 TIMING: 4855600 CPU: 15356.6, 0.00318098/step Wall: 15356.6, 0.00318098/step, 0.127593 hours remaining, 236.917969 MB of memory in use. ENERGY: 4855600 4065.0103 20673.9374 14517.6998 230.5055 -202846.2054 2470.2456 0.0000 0.0000 51863.5266 -109025.2801 298.0604 -160888.8068 -108668.2666 300.3380 -261.3955 -234.7535 761608.2582 7.0822 7.1162 PRESSURE: 4855800 -48.6175 130.819 -53.8618 130.819 -353.204 -88.7083 -53.8626 -88.7079 -244.111 GPRESSURE: 4855800 16.6755 234.991 -79.6657 252.76 -345.756 -117.06 -5.9785 -83.3007 -222.733 PRESSAVG: 4855800 12.6141 -8.99957 11.5825 -8.99955 -15.648 12.2442 11.5825 12.2443 4.59035 GPRESSAVG: 4855800 13.2564 -11.0323 11.384 -8.94408 -17.0621 12.1327 13.8258 10.4232 5.29948 TIMING: 4855800 CPU: 15357.3, 0.00319057/step Wall: 15357.3, 0.00319057/step, 0.1278 hours remaining, 236.917969 MB of memory in use. ENERGY: 4855800 4071.1710 20537.6651 14515.3977 236.0650 -202747.6500 2391.6922 0.0000 0.0000 51806.9252 -109188.7338 297.7351 -160995.6590 -108823.3129 299.6176 -215.3108 -183.9379 762333.6955 0.5188 0.4979 PRESSURE: 4856000 412.732 -190.404 -88.8367 -190.404 64.4286 -95.9154 -88.8371 -95.9162 -213.774 GPRESSURE: 4856000 361.056 -208.874 -138.915 -115.585 210.196 -2.05252 -54.2055 -160.306 -203.845 PRESSAVG: 4856000 -29.7082 -43.627 -61.2332 -43.627 -8.8975 -3.69444 -61.2332 -3.69445 -4.62307 GPRESSAVG: 4856000 -29.6041 -43.861 -61.2894 -43.8186 -7.33229 -3.76375 -62.1671 -4.64417 -6.58412 TIMING: 4856000 CPU: 15357.9, 0.00316291/step Wall: 15357.9, 0.00316291/step, 0.126516 hours remaining, 236.917969 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: 4856000 3984.6747 20654.1952 14557.2752 228.7547 -203640.7148 2852.9869 0.0000 0.0000 51942.2993 -109420.5288 298.5131 -161362.8280 -109054.1088 299.6283 87.7953 122.4690 760402.7352 -14.4096 -14.5068 PRESSURE: 4856200 -155.815 -131.683 102.089 -131.683 -264.069 -195.629 102.088 -195.628 -25.4433 GPRESSURE: 4856200 -154.357 -34.7121 193.321 -81.1528 -219.671 -148.187 28.6721 -78.3009 11.3741 PRESSAVG: 4856200 47.2026 -50.3742 -24.5308 -50.3742 -9.50634 -44.213 -24.5308 -44.2129 -8.78554 GPRESSAVG: 4856200 46.9406 -50.2407 -22.9315 -49.6919 -10.3488 -42.3653 -23.4606 -43.5323 -7.51989 TIMING: 4856200 CPU: 15358.5, 0.00317267/step Wall: 15358.5, 0.00317267/step, 0.126731 hours remaining, 236.917969 MB of memory in use. ENERGY: 4856200 4019.8799 20590.8659 14512.3509 251.0378 -203327.4550 2476.5653 0.0000 0.0000 51910.9979 -109565.7574 298.3332 -161476.7553 -109207.9154 299.3085 -148.4425 -120.8848 762326.8552 9.6369 9.6907 LDB: ============= START OF LOAD BALANCING ============== 15371.1 LDB: ============== END OF LOAD BALANCING =============== 15371.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15371.1 LDB: ============= START OF LOAD BALANCING ============== 15371.4 LDB: Largest compute 7077 load 0.036644 is 18.7% of average load 0.195665 LDB: Average compute 0.004377 is 2.2% of average load 0.195665 LDB: TIME 15371.4 LOAD: AVG 0.195665 MAX 0.214837 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.441 MB LDB: TIME 15371.4 LOAD: AVG 0.195665 MAX 0.214837 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.512 MB LDB: TIME 15371.4 LOAD: AVG 0.195665 MAX 0.214837 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.512 MB LDB: ============== END OF LOAD BALANCING =============== 15371.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15371.4 PRESSURE: 4856400 -120.165 -10.8422 142.168 -10.843 95.6317 125.256 142.167 125.256 16.8239 GPRESSURE: 4856400 -112.092 -192.955 163.351 11.602 228.41 38.8425 65.207 30.624 -56.8888 PRESSAVG: 4856400 19.2854 -20.9482 46.5925 -20.9482 1.23795 23.8459 46.5925 23.8459 12.3116 GPRESSAVG: 4856400 19.1011 -21.4229 43.7808 -20.9191 2.53325 22.1362 44.9337 23.9454 11.478 TIMING: 4856400 CPU: 15359.2, 0.00324549/step Wall: 15359.2, 0.00324549/step, 0.129459 hours remaining, 235.480469 MB of memory in use. ENERGY: 4856400 3983.8039 20519.8524 14494.6517 247.5908 -203258.9426 2480.3053 0.0000 0.0000 52003.8894 -109528.8491 298.8671 -161532.7385 -109155.1392 299.0578 -2.5698 19.8095 761323.5462 10.9450 11.0375 PRESSURE: 4856600 225.148 -2.04831 156.928 -2.04921 -265.918 -103.32 156.928 -103.32 421.283 GPRESSURE: 4856600 267.106 -13.9071 134.309 10.9675 -219.993 -29.7908 204.761 -90.8023 432.302 PRESSAVG: 4856600 8.52128 -33.9331 5.97878 -33.9331 10.8171 9.99019 5.97879 9.99021 2.54075 GPRESSAVG: 4856600 9.44847 -34.6191 6.60729 -33.7385 9.85711 11.3844 7.71437 10.2769 2.63152 TIMING: 4856600 CPU: 15359.8, 0.00317518/step Wall: 15359.8, 0.00317518/step, 0.126478 hours remaining, 235.679688 MB of memory in use. ENERGY: 4856600 3931.6246 20453.0368 14550.4090 226.5347 -203480.1542 2774.1499 0.0000 0.0000 52089.2171 -109455.1821 299.3574 -161544.3992 -109089.5423 299.0232 126.8378 159.8050 761370.8892 7.2930 7.3124 PRESSURE: 4856800 320.34 -13.6446 58.8027 -13.6442 -80.6905 -159.453 58.8026 -159.454 -44.7394 GPRESSURE: 4856800 325.373 -2.7606 55.9173 -17.4451 -83.2226 -165.655 -17.0418 -186.27 27.4129 PRESSAVG: 4856800 7.48523 -42.3223 -47.1839 -42.3223 20.0973 -10.4172 -47.1839 -10.4171 -2.49357 GPRESSAVG: 4856800 6.89203 -41.097 -45.1548 -43.7355 19.4335 -9.62316 -48.3816 -11.7903 -1.70609 TIMING: 4856800 CPU: 15360.5, 0.00318297/step Wall: 15360.5, 0.00318297/step, 0.126612 hours remaining, 235.679688 MB of memory in use. ENERGY: 4856800 4045.2564 20418.0059 14538.2526 269.8122 -203564.3852 2842.4290 0.0000 0.0000 51941.8730 -109508.7561 298.5107 -161450.6291 -109156.1453 298.8961 64.9702 89.8544 761827.8667 8.3630 8.2065 PRESSURE: 4857000 -102.882 47.3722 -170.861 47.3717 -388.217 -107.444 -170.861 -107.445 230.232 GPRESSURE: 4857000 -59.4687 -75.6823 -139.071 66.3198 -368.24 -110.863 -223.545 3.39823 240.028 PRESSAVG: 4857000 21.1011 -2.66405 -14.9264 -2.66395 -9.42859 48.3446 -14.9264 48.3446 -11.949 GPRESSAVG: 4857000 19.9407 -2.55753 -17.0901 -2.46625 -8.44255 47.8031 -14.7412 50.2023 -11.6008 TIMING: 4857000 CPU: 15361.1, 0.00318079/step Wall: 15361.1, 0.00318079/step, 0.126348 hours remaining, 235.679688 MB of memory in use. ENERGY: 4857000 3996.0151 20533.2836 14551.0345 234.7288 -203176.4415 2646.2444 0.0000 0.0000 52096.0471 -109119.0881 299.3967 -161215.1352 -108754.6428 298.5030 -86.9555 -62.5602 763280.6292 -0.0922 -0.0342 PRESSURE: 4857200 107.13 13.4349 -66.1242 13.4353 54.3914 139.953 -66.1237 139.952 58.0722 GPRESSURE: 4857200 95.3338 9.46047 1.68175 12.0153 73.6854 124.98 -176.45 144.01 118.644 PRESSAVG: 4857200 44.422 -3.521 -22.5469 -3.52101 -37.8656 -1.06714 -22.5469 -1.06717 1.17681 GPRESSAVG: 4857200 44.6342 -6.87885 -23.2897 -0.255685 -38.4153 -0.695461 -21.6428 -2.03124 1.56957 TIMING: 4857200 CPU: 15361.7, 0.00315833/step Wall: 15361.7, 0.00315833/step, 0.12528 hours remaining, 235.718750 MB of memory in use. ENERGY: 4857200 3991.5504 20507.7817 14551.3615 253.1715 -203551.1951 2751.6239 0.0000 0.0000 52221.0538 -109274.6524 300.1151 -161495.7062 -108914.0777 299.9144 73.1978 95.8879 762957.4974 2.5778 2.5961 PRESSURE: 4857400 3.2733 -78.8481 -101.675 -78.8477 181.672 232.182 -101.675 232.182 13.1889 GPRESSURE: 4857400 118.979 -98.7832 -73.6247 -196.616 95.8395 206.183 -36.8916 304.1 65.9923 PRESSAVG: 4857400 -2.89482 -52.2169 -45.3585 -52.2169 -7.64117 -6.72178 -45.3585 -6.72178 -16.9825 GPRESSAVG: 4857400 -2.99416 -51.5276 -44.53 -52.7537 -7.79077 -7.24815 -44.8099 -5.86381 -17.0685 TIMING: 4857400 CPU: 15362.4, 0.00317131/step Wall: 15362.4, 0.00317131/step, 0.125619 hours remaining, 235.718750 MB of memory in use. ENERGY: 4857400 4005.0842 20447.4153 14494.5010 245.4153 -203199.4873 2551.6338 0.0000 0.0000 51932.9057 -109522.5320 298.4591 -161455.4377 -109158.8355 299.0474 66.0446 93.6038 762849.7125 -9.1728 -9.2845 PRESSURE: 4857600 -123.967 -85.8465 -182.875 -85.8457 -130.483 94.62 -182.876 94.6188 -128.53 GPRESSURE: 4857600 -59.2217 -177.913 -297.445 -124.01 -92.6751 83.7018 -136.02 -24.0357 -145.78 PRESSAVG: 4857600 -1.94956 3.75993 1.61464 3.75995 -24.5016 -27.1122 1.61467 -27.1122 20.9483 GPRESSAVG: 4857600 -0.531625 6.32844 1.6745 1.90928 -25.9991 -26.9483 0.797327 -27.5 20.8891 TIMING: 4857600 CPU: 15363, 0.00317462/step Wall: 15363, 0.00317462/step, 0.125574 hours remaining, 235.718750 MB of memory in use. ENERGY: 4857600 3922.0726 20457.2266 14468.1110 245.2853 -203786.9891 3060.8118 0.0000 0.0000 52127.6779 -109505.8038 299.5785 -161633.4817 -109137.0925 298.9354 -127.6602 -99.2255 762796.2291 -1.8343 -1.8806 PRESSURE: 4857800 -38.8085 -176.655 32.7507 -176.655 -307.406 -0.63825 32.7506 -0.638655 53.8198 GPRESSURE: 4857800 6.44837 -114.92 32.059 -247.044 -298.771 -111.097 108.489 26.7237 96.0474 PRESSAVG: 4857800 24.4003 2.09795 -24.3147 2.09796 -59.4141 25.7243 -24.3147 25.7244 0.488888 GPRESSAVG: 4857800 22.9832 0.243593 -22.8528 2.42118 -58.6634 26.6894 -25.432 25.5278 1.22838 TIMING: 4857800 CPU: 15363.6, 0.00317626/step Wall: 15363.6, 0.00317626/step, 0.125462 hours remaining, 235.718750 MB of memory in use. ENERGY: 4857800 3960.2431 20458.0048 14531.1364 226.5131 -203730.2510 2979.4113 0.0000 0.0000 52188.1917 -109386.7505 299.9263 -161574.9422 -109024.2443 299.8126 -97.4649 -65.4250 763083.7183 -11.5083 -11.4839 PRESSURE: 4858000 -1.64252 66.6598 197.258 66.6602 103.757 -94.5579 197.259 -94.5578 -296.523 GPRESSURE: 4858000 -13.4453 -59.8027 186.026 99.6112 164.513 -152.286 141.146 -75.0086 -242.009 PRESSAVG: 4858000 29.3729 -29.4498 8.92681 -29.4498 -8.47507 -48.8397 8.92681 -48.8398 3.07428 GPRESSAVG: 4858000 29.9595 -30.196 8.36955 -28.1697 -8.45097 -49.2142 9.02162 -46.9194 2.43412 TIMING: 4858000 CPU: 15364.3, 0.00316915/step Wall: 15364.3, 0.00316915/step, 0.125005 hours remaining, 235.718750 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: 4858000 4008.3716 20581.7101 14535.2236 238.9287 -203567.8845 2648.8600 0.0000 0.0000 52104.2031 -109450.5874 299.4436 -161554.7905 -109089.4003 299.4451 -64.8028 -30.3138 762159.5077 7.9907 7.9809 PRESSURE: 4858200 20.5269 -103.416 27.8944 -103.416 -98.2858 84.4839 27.8948 84.4827 -48.8643 GPRESSURE: 4858200 96.2221 -34.1273 -27.4968 -144.276 -37.216 156.118 -0.741145 66.8858 -105.528 PRESSAVG: 4858200 -10.8733 -26.2754 15.5589 -26.2755 -12.2084 13.8226 15.5589 13.8226 6.79 GPRESSAVG: 4858200 -11.124 -25.344 14.884 -28.4418 -11.4468 16.4888 17.0048 10.7707 6.10694 TIMING: 4858200 CPU: 15364.9, 0.00317927/step Wall: 15364.9, 0.00317927/step, 0.125228 hours remaining, 235.718750 MB of memory in use. ENERGY: 4858200 4057.9151 20521.2811 14561.2020 246.9706 -203411.0659 2739.5234 0.0000 0.0000 52060.3801 -109223.7935 299.1917 -161284.1736 -108877.2191 299.2357 -42.2077 -15.5072 763923.9290 -5.4306 -5.4880 PRESSURE: 4858400 -408.335 106.131 -115.692 106.131 -482.722 -177.159 -115.691 -177.159 -144.264 GPRESSURE: 4858400 -329.811 -5.03118 -81.6883 103.238 -464.667 -210.135 -110.462 -176.748 -153.921 PRESSAVG: 4858400 -2.98372 -46.5497 -5.43062 -46.5498 -21.9718 -1.61017 -5.43065 -1.61011 -1.91288 GPRESSAVG: 4858400 -3.01556 -48.3719 -5.00282 -45.7166 -22.8263 -3.87926 -6.21168 1.76112 -1.10322 TIMING: 4858400 CPU: 15365.5, 0.00318332/step Wall: 15365.5, 0.00318332/step, 0.12521 hours remaining, 235.718750 MB of memory in use. ENERGY: 4858400 3994.2362 20674.5429 14512.6260 242.4696 -203657.7065 2642.4136 0.0000 0.0000 52445.0266 -109146.3917 301.4023 -161591.4182 -108783.4684 299.8544 -345.1073 -316.1329 764203.0060 -8.9561 -8.9817 PRESSURE: 4858600 -477.616 -132.903 301.796 -132.904 -240.564 -139.586 301.796 -139.587 -197.993 GPRESSURE: 4858600 -501.323 -70.6687 312.66 -126.29 -102.63 -106.856 217.918 -131.884 -198.658 PRESSAVG: 4858600 30.7507 -64.2903 43.3271 -64.2903 -38.4393 10.9903 43.3271 10.9902 -21.6419 GPRESSAVG: 4858600 30.3167 -60.428 42.2212 -64.8272 -37.7976 11.0585 44.0185 10.0619 -22.1982 TIMING: 4858600 CPU: 15366.2, 0.00317714/step Wall: 15366.2, 0.00317714/step, 0.124791 hours remaining, 235.718750 MB of memory in use. ENERGY: 4858600 4038.4407 20687.2532 14477.5381 232.8724 -203329.3257 2633.7342 0.0000 0.0000 51985.4411 -109274.0460 298.7610 -161259.4871 -108915.4037 299.7236 -305.3909 -267.5371 763593.4975 -9.7768 -9.8930 PRESSURE: 4858800 18.0454 121.476 127.567 121.475 -563.731 -29.1182 127.566 -29.1179 -55.0303 GPRESSURE: 4858800 40.4541 -5.72654 154.913 79.8159 -531.728 -1.4921 112.39 -110.182 -7.90395 PRESSAVG: 4858800 -1.95293 -25.872 -22.9186 -25.8719 23.5299 -42.0284 -22.9185 -42.0284 31.2126 GPRESSAVG: 4858800 -1.77208 -30.2583 -23.3868 -25.4421 22.4505 -43.2327 -22.4105 -42.6314 31.7554 TIMING: 4858800 CPU: 15366.8, 0.00317255/step Wall: 15366.8, 0.00317255/step, 0.124435 hours remaining, 235.718750 MB of memory in use. ENERGY: 4858800 4062.8531 20542.8794 14430.2422 242.2255 -203394.0927 2456.5107 0.0000 0.0000 52281.0969 -109378.2849 300.4602 -161659.3818 -109014.9137 299.7246 -200.2387 -166.3926 762977.5331 17.5965 17.4779 PRESSURE: 4859000 -282.295 154.468 -132.942 154.468 -588.243 296.895 -132.943 296.895 -451.774 GPRESSURE: 4859000 -360.713 128.858 -176.683 62.8437 -440.139 156.667 -162.571 344.454 -449.6 PRESSAVG: 4859000 65.8756 -31.5894 -32.4755 -31.5895 -69.6114 -0.655445 -32.4756 -0.655371 3.49191 GPRESSAVG: 4859000 66.0212 -28.3997 -33.5763 -32.1871 -68.5525 -0.6851 -34.5454 -1.01856 2.06861 TIMING: 4859000 CPU: 15367.4, 0.00316555/step Wall: 15367.4, 0.00316555/step, 0.123984 hours remaining, 235.718750 MB of memory in use. ENERGY: 4859000 3990.3409 20481.7312 14480.3551 254.4397 -203429.2294 2461.7434 0.0000 0.0000 52337.6028 -109423.0164 300.7849 -161760.6192 -109055.4413 299.3869 -440.7711 -416.8174 762673.0467 -0.0813 -0.1542 PRESSURE: 4859200 -281.642 -38.2562 49.0289 -38.2561 -188.305 22.4688 49.029 22.4692 2.39438 GPRESSURE: 4859200 -268.663 24.9492 -32.2839 -107.561 -137.603 -0.56709 9.77615 56.0002 31.2024 PRESSAVG: 4859200 82.9588 5.9428 -46.4306 5.94283 -104.196 82.1022 -46.4306 82.1021 3.34172 GPRESSAVG: 4859200 82.2137 6.31178 -46.4316 3.63671 -103.291 81.8865 -43.6469 83.5751 3.60617 TIMING: 4859200 CPU: 15368.1, 0.00317366/step Wall: 15368.1, 0.00317366/step, 0.124126 hours remaining, 235.718750 MB of memory in use. ENERGY: 4859200 3942.5623 20614.3991 14443.8477 253.0819 -203272.6005 2563.4975 0.0000 0.0000 52031.0861 -109424.1260 299.0234 -161455.2120 -109053.9211 299.4976 -155.8510 -125.0214 762425.9795 -5.9651 -5.8238 PRESSURE: 4859400 -10.7391 12.7873 46.0802 12.787 126.932 -105.572 46.08 -105.572 -70.4771 GPRESSURE: 4859400 -0.337298 -25.9393 53.1897 -32.9237 188.93 -139.108 1.56012 -95.8164 -38.0731 PRESSAVG: 4859400 44.7835 -18.9679 -26.4843 -18.9679 -48.3599 59.7057 -26.4843 59.7057 -2.47185 GPRESSAVG: 4859400 46.3702 -20.4964 -25.2307 -17.1396 -49.2133 61.2214 -28.3851 59.711 -2.64962 TIMING: 4859400 CPU: 15368.7, 0.00320381/step Wall: 15368.7, 0.00320381/step, 0.125127 hours remaining, 235.718750 MB of memory in use. ENERGY: 4859400 3947.1780 20540.5389 14469.9800 245.4353 -203335.0739 2501.8550 0.0000 0.0000 51975.7742 -109654.3124 298.7055 -161630.0866 -109291.4990 298.5133 15.2385 50.1733 761937.8908 -2.0161 -1.8309 PRESSURE: 4859600 -265.563 127.367 122.551 127.366 144.056 -48.3281 122.551 -48.3279 -327.492 GPRESSURE: 4859600 -142.496 83.9772 142.029 106.724 124.985 -111.952 -32.6183 -45.4398 -349.603 PRESSAVG: 4859600 22.4772 1.36486 -36.8337 1.3649 -20.7405 -51.751 -36.8337 -51.751 -0.964266 GPRESSAVG: 4859600 22.2931 -0.274224 -35.4001 3.34222 -20.9631 -53.2226 -36.8109 -53.0628 0.0842845 TIMING: 4859600 CPU: 15369.4, 0.00318853/step Wall: 15369.4, 0.00318853/step, 0.124352 hours remaining, 235.718750 MB of memory in use. ENERGY: 4859600 3991.0832 20520.5225 14417.0037 249.9169 -203490.8272 2530.0389 0.0000 0.0000 52237.0702 -109545.1919 300.2072 -161782.2621 -109177.0754 298.9798 -149.6665 -122.3714 761173.6895 0.2575 0.4714 PRESSURE: 4859800 192.159 132.222 20.6139 132.221 -306.024 -101.494 20.6142 -101.494 123.053 GPRESSURE: 4859800 104.234 128.914 45.6642 143.756 -46.4179 -42.9934 8.75112 -88.202 56.0063 PRESSAVG: 4859800 14.5563 -27.4869 31.8548 -27.4869 23.3539 -70.1008 31.8548 -70.1008 -21.8992 GPRESSAVG: 4859800 14.2218 -27.4828 31.1057 -28.6439 24.6108 -68.6457 33.1514 -69.022 -22.3541 TIMING: 4859800 CPU: 15370, 0.00317167/step Wall: 15370, 0.00317167/step, 0.123519 hours remaining, 235.718750 MB of memory in use. ENERGY: 4859800 3974.4180 20503.6893 14484.0291 237.1973 -203977.1587 3148.9614 0.0000 0.0000 52029.8266 -109599.0371 299.0161 -161628.8637 -109241.6096 298.9314 3.0627 37.9409 761389.2283 5.3370 5.4928 PRESSURE: 4860000 -66.2214 -74.6113 -21.85 -74.6112 -43.232 211.504 -21.8493 211.504 533.731 GPRESSURE: 4860000 -104.408 21.9032 8.46757 -224.694 93.4 130.527 34.7181 172.313 515.051 PRESSAVG: 4860000 2.86702 14.5538 -26.7125 14.5538 -29.6404 -8.13089 -26.7125 -8.13096 3.9216 GPRESSAVG: 4860000 3.20001 15.1876 -26.7558 13.9558 -30.4981 -8.22372 -27.844 -9.85258 3.97191 TIMING: 4860000 CPU: 15370.6, 0.00316023/step Wall: 15370.6, 0.00316023/step, 0.122898 hours remaining, 235.718750 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: 4860000 3998.3539 20498.0143 14506.9678 254.6140 -203564.8511 2619.8904 0.0000 0.0000 52049.0132 -109637.9975 299.1264 -161687.0107 -109275.7120 298.5376 141.4259 168.0143 762484.6316 -7.6172 -7.7754 PRESSURE: 4860200 -80.9196 -52.6893 39.1099 -52.6888 -55.3197 137.482 39.1093 137.48 -266.152 GPRESSURE: 4860200 40.1885 -15.3379 11.4133 16.4218 -44.7524 107.467 35.7516 146.88 -305.922 PRESSAVG: 4860200 16.1765 -23.4108 12.2796 -23.4109 -15.4237 -16.054 12.2796 -16.054 -18.1645 GPRESSAVG: 4860200 16.81 -22.6976 11.8242 -23.746 -16.2047 -15.1892 12.8542 -15.5497 -17.848 TIMING: 4860200 CPU: 15371.3, 0.00317408/step Wall: 15371.3, 0.00317408/step, 0.12326 hours remaining, 235.718750 MB of memory in use. ENERGY: 4860200 3990.1531 20493.1676 14588.2755 266.7975 -203708.2161 2716.6079 0.0000 0.0000 52045.9699 -109607.2446 299.1089 -161653.2145 -109249.4963 299.5628 -134.1305 -103.4953 762682.5937 -5.8039 -5.7476 LDB: ============= START OF LOAD BALANCING ============== 15383.8 LDB: ============== END OF LOAD BALANCING =============== 15383.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15383.8 LDB: ============= START OF LOAD BALANCING ============== 15384.1 LDB: Largest compute 7026 load 0.034841 is 17.8% of average load 0.195571 LDB: Average compute 0.004380 is 2.2% of average load 0.195571 LDB: TIME 15384.1 LOAD: AVG 0.195571 MAX 0.213989 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.434 MB LDB: TIME 15384.1 LOAD: AVG 0.195571 MAX 0.213989 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.504 MB LDB: TIME 15384.1 LOAD: AVG 0.195571 MAX 0.213989 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.504 MB LDB: ============== END OF LOAD BALANCING =============== 15384.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15384.1 PRESSURE: 4860400 -478.986 -55.0414 8.47874 -55.0413 -474.839 -74.3789 8.47998 -74.3802 -243.844 GPRESSURE: 4860400 -439.648 -104.735 -23.0794 -46.2859 -444.497 -96.7086 123.793 71.8771 -227.146 PRESSAVG: 4860400 21.6842 -4.89192 -11.4271 -4.89192 -58.7321 -12.8693 -11.4272 -12.8693 13.5527 GPRESSAVG: 4860400 21.2024 -7.25511 -10.9973 -2.3144 -56.947 -12.7736 -8.91875 -10.1068 12.3159 TIMING: 4860400 CPU: 15371.9, 0.00323519/step Wall: 15371.9, 0.00323519/step, 0.125454 hours remaining, 236.144531 MB of memory in use. ENERGY: 4860400 4010.7623 20447.6588 14465.8258 243.4642 -203781.0018 2795.3464 0.0000 0.0000 52131.4216 -109686.5226 299.6000 -161817.9443 -109315.0829 298.8922 -399.2230 -370.4305 763643.5357 -7.8317 -7.8096 PRESSURE: 4860600 -193.669 4.87229 86.666 4.8715 -329.708 -64.468 86.6665 -64.4685 44.61 GPRESSURE: 4860600 -146.317 -89.6093 12.9099 -58.9015 -246.194 -72.2097 5.74511 -87.5936 -4.45943 PRESSAVG: 4860600 76.1572 43.4958 4.77023 43.4957 -99.6421 34.9174 4.77031 34.9175 -27.9339 GPRESSAVG: 4860600 77.2888 45.0154 5.16062 41.3935 -101.601 32.0259 1.34513 34.2052 -26.8787 TIMING: 4860600 CPU: 15372.5, 0.00316777/step Wall: 15372.5, 0.00316777/step, 0.122663 hours remaining, 236.347656 MB of memory in use. ENERGY: 4860600 4028.1334 20509.4157 14475.3077 242.5577 -203538.0473 2599.2200 0.0000 0.0000 51863.3463 -109820.0665 298.0594 -161683.4129 -109459.7478 298.6224 -159.5892 -132.3235 762455.7776 -17.1396 -17.0635 PRESSURE: 4860800 -27.1975 29.4703 188.664 29.471 -225.195 162.661 188.664 162.661 466.315 GPRESSURE: 4860800 54.0296 -40.3262 203.537 -55.9751 -205.168 272.78 189.842 131.951 442.28 PRESSAVG: 4860800 83.5755 -3.45138 -1.26962 -3.45145 -65.3449 19.7549 -1.26962 19.755 -30.787 GPRESSAVG: 4860800 81.5946 -4.48303 -0.8281 -2.30278 -64.2996 21.9707 1.00064 16.9801 -29.8524 TIMING: 4860800 CPU: 15373.2, 0.00317334/step Wall: 15373.2, 0.00317334/step, 0.122703 hours remaining, 236.531250 MB of memory in use. ENERGY: 4860800 3997.2809 20405.8642 14461.4414 247.9089 -203842.0036 2826.6399 0.0000 0.0000 51867.2710 -110035.5973 298.0819 -161902.8683 -109680.8338 297.9598 71.3075 97.0471 760543.2013 -4.1855 -4.1858 PRESSURE: 4861000 -263.212 -114.638 82.7083 -114.638 -520.109 -124.964 82.7085 -124.963 -285.673 GPRESSURE: 4861000 -220.695 -32.9875 91.2444 -79.0363 -450.262 -77.5175 195.431 -233.804 -313.874 PRESSAVG: 4861000 82.2306 -81.7415 -6.64027 -81.7415 -124.443 -63.7866 -6.64028 -63.7866 -15.6274 GPRESSAVG: 4861000 82.5895 -80.5851 -7.52034 -83.2104 -123.767 -65.0136 -6.15656 -63.2623 -16.5204 TIMING: 4861000 CPU: 15373.8, 0.00317998/step Wall: 15373.8, 0.00317998/step, 0.122782 hours remaining, 236.531250 MB of memory in use. ENERGY: 4861000 3933.7825 20280.8010 14462.9189 230.1933 -203492.2683 2562.8071 0.0000 0.0000 51854.2815 -110167.4841 298.0073 -162021.7656 -109805.7614 297.4801 -356.3311 -328.2768 761885.8919 -19.2798 -19.2328 PRESSURE: 4861200 132.153 -171.398 231.023 -171.397 -236.05 31.6507 231.023 31.6496 197.763 GPRESSURE: 4861200 121.823 -37.8598 172.805 -188.238 -172.074 37.4421 95.6066 73.7326 227.035 PRESSAVG: 4861200 103.344 -28.1128 -21.1016 -28.113 -78.8539 -47.0489 -21.1015 -47.0488 -2.85192 GPRESSAVG: 4861200 104.19 -26.7692 -20.1992 -27.1923 -80.2534 -47.6124 -25.0841 -45.713 -2.61579 TIMING: 4861200 CPU: 15374.4, 0.00318148/step Wall: 15374.4, 0.00318148/step, 0.122664 hours remaining, 236.531250 MB of memory in use. ENERGY: 4861200 3972.5152 20452.1106 14481.0699 227.3827 -203792.5036 2703.3765 0.0000 0.0000 51757.3511 -110198.6976 297.4502 -161956.0487 -109838.7472 297.4037 31.2889 58.9279 761984.0799 7.2128 7.1070 PRESSURE: 4861400 67.8051 -125.86 -47.0879 -125.861 -174.6 56.8893 -47.089 56.8888 -326.08 GPRESSURE: 4861400 167.717 -124.723 -173.617 37.0858 -202.207 70.5075 -5.3536 152.502 -324.46 PRESSAVG: 4861400 52.2201 12.0351 -75.9801 12.0351 -26.0292 19.1377 -75.98 19.1376 20.8426 GPRESSAVG: 4861400 52.8116 11.8951 -77.1932 11.347 -26.7986 21.6963 -72.4383 18.5545 20.4981 TIMING: 4861400 CPU: 15375.1, 0.00317853/step Wall: 15375.1, 0.00317853/step, 0.122374 hours remaining, 236.734375 MB of memory in use. ENERGY: 4861400 3992.9354 20594.9990 14425.5634 227.0252 -203759.2042 2664.9151 0.0000 0.0000 51872.2718 -109981.4943 298.1107 -161853.7662 -109620.2742 297.6366 -144.2917 -119.6498 760598.0212 15.6778 15.5037 PRESSURE: 4861600 22.4037 -54.8062 113.164 -54.8073 -84.9857 122.184 113.163 122.184 203.017 GPRESSURE: 4861600 23.4142 -1.73258 93.1682 -48.3048 -59.5543 173.089 97.4256 15.0826 264.33 PRESSAVG: 4861600 60.6966 -32.8824 -18.2711 -32.8825 -66.8729 -20.4799 -18.2711 -20.4798 15.4926 GPRESSAVG: 4861600 60.1584 -34.9621 -17.5984 -32.349 -66.7246 -23.9513 -18.917 -19.7598 16.3576 TIMING: 4861600 CPU: 15375.7, 0.00318065/step Wall: 15375.7, 0.00318065/step, 0.122278 hours remaining, 236.734375 MB of memory in use. ENERGY: 4861600 3958.7692 20632.3570 14502.9402 262.5850 -203614.1882 2662.1976 0.0000 0.0000 51780.5522 -109814.7870 297.5835 -161595.3392 -109457.5550 297.6465 46.8118 76.0634 761129.4878 3.1054 3.2638 PRESSURE: 4861800 121.404 50.1634 -240.03 50.1638 -259.189 -35.5856 -240.031 -35.5849 -93.8242 GPRESSURE: 4861800 132.183 -109.963 -266.958 8.80307 -206.154 -16.8319 -199.045 20.8231 -81.6233 PRESSAVG: 4861800 34.762 -20.1233 11.8356 -20.1232 -33.6138 0.913677 11.8355 0.913695 -16.9332 GPRESSAVG: 4861800 33.7961 -20.3141 11.567 -21.2591 -32.6883 1.79529 11.7464 1.45758 -17.2469 TIMING: 4861800 CPU: 15376.4, 0.00317919/step Wall: 15376.4, 0.00317919/step, 0.122046 hours remaining, 236.734375 MB of memory in use. ENERGY: 4861800 3900.3182 20460.9329 14405.4550 238.1268 -203681.8334 2692.9626 0.0000 0.0000 52182.3669 -109801.6710 299.8928 -161984.0379 -109438.9390 298.3570 -77.2028 -51.8649 761977.0983 -5.2617 -5.3797 PRESSURE: 4862000 -2.39737 34.9791 -145.491 34.9788 -282.867 -6.69724 -145.49 -6.69722 79.1872 GPRESSURE: 4862000 6.32255 -53.4892 -199.043 -64.8766 -213.271 -8.54882 63.6876 -56.6738 70.2274 PRESSAVG: 4862000 30.5656 -35.1563 -10.4499 -35.1563 -28.3971 17.3191 -10.4499 17.3191 0.908981 GPRESSAVG: 4862000 31.4331 -33.3373 -11.0011 -35.8963 -28.4951 16.4154 -11.7915 17.0225 0.0961604 TIMING: 4862000 CPU: 15377, 0.0032066/step Wall: 15377, 0.0032066/step, 0.122919 hours remaining, 236.734375 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: 4862000 4038.0764 20569.1815 14448.5000 255.2074 -203600.8657 2662.5418 0.0000 0.0000 51695.6081 -109931.7504 297.0954 -161627.3585 -109567.1122 298.4599 -68.6925 -45.5738 761942.7999 1.0258 1.0114 PRESSURE: 4862200 -188.539 11.2861 145.811 11.2861 -313.727 123.286 145.811 123.285 -164.523 GPRESSURE: 4862200 -117.469 36.6068 107.199 2.76538 -288.272 78.1552 132.486 80.5261 -151.137 PRESSAVG: 4862200 65.291 -25.0626 54.1021 -25.0626 -46.7954 12.9631 54.1021 12.9631 -6.89431 GPRESSAVG: 4862200 65.8593 -26.574 56.0831 -23.0407 -47.6103 14.4171 54.064 12.6815 -6.30067 TIMING: 4862200 CPU: 15377.6, 0.00321785/step Wall: 15377.6, 0.00321785/step, 0.123172 hours remaining, 236.734375 MB of memory in use. ENERGY: 4862200 3995.1196 20350.2307 14380.1909 238.8902 -203487.3959 2618.9750 0.0000 0.0000 51724.3570 -110179.6324 297.2606 -161903.9894 -109821.3474 297.7836 -222.2629 -185.6259 762521.5703 3.8671 3.9828 PRESSURE: 4862400 -74.7458 -177.956 -284.473 -177.956 138.547 -20.5799 -284.473 -20.5795 30.7195 GPRESSURE: 4862400 -107.693 -231.704 -242.043 -113.839 191.174 28.1663 -319.666 -57.4222 86.2183 PRESSAVG: 4862400 36.1945 -40.8292 -8.88254 -40.8292 -28.9178 -5.82788 -8.8824 -5.82787 -9.29746 GPRESSAVG: 4862400 36.4081 -39.4979 -10.6234 -41.3733 -28.6049 -5.94114 -7.03378 -7.0774 -9.50912 TIMING: 4862400 CPU: 15378.3, 0.00317763/step Wall: 15378.3, 0.00317763/step, 0.121456 hours remaining, 236.734375 MB of memory in use. ENERGY: 4862400 3961.9076 20447.0591 14435.1144 234.9593 -203823.9527 2999.3037 0.0000 0.0000 51503.4527 -110242.1559 295.9911 -161745.6086 -109876.6555 297.6755 31.5067 56.5662 762039.9870 -0.6736 -0.5687 PRESSURE: 4862600 -303.345 116.586 118.816 116.586 -46.7815 -146.015 118.815 -146.013 -344.26 GPRESSURE: 4862600 -316.302 143.031 83.6025 26.135 -7.37974 -139.785 44.0557 -196.462 -291.19 PRESSAVG: 4862600 56.5883 9.86952 58.5562 9.86958 -41.5946 -14.4784 58.5563 -14.4785 19.3231 GPRESSAVG: 4862600 55.6627 10.5084 59.1589 7.57369 -40.2657 -13.5066 55.6566 -15.7018 18.4814 TIMING: 4862600 CPU: 15378.9, 0.003167/step Wall: 15378.9, 0.003167/step, 0.120874 hours remaining, 236.734375 MB of memory in use. ENERGY: 4862600 4038.6062 20432.6260 14538.1549 259.7124 -204168.6788 3025.8641 0.0000 0.0000 51807.7027 -110066.0124 297.7396 -161873.7151 -109710.3644 297.7546 -231.4623 -204.9572 763135.1251 11.4389 11.2928 PRESSURE: 4862800 303.8 -59.7191 238.685 -59.7194 -39.4517 12.7635 238.686 12.7637 229.971 GPRESSURE: 4862800 373.259 -106.354 258.436 -4.16307 -41.1874 67.4269 155.977 75.2925 247.708 PRESSAVG: 4862800 105.995 30.4652 39.2061 30.4651 -83.8078 59.7193 39.2062 59.7193 18.606 GPRESSAVG: 4862800 107.45 27.3705 40.1015 34.5573 -85.7058 60.0526 41.2206 61.641 18.8337 TIMING: 4862800 CPU: 15379.5, 0.00318121/step Wall: 15379.5, 0.00318121/step, 0.12124 hours remaining, 236.734375 MB of memory in use. ENERGY: 4862800 3982.2201 20418.5994 14484.9300 243.0991 -203753.4759 2837.8237 0.0000 0.0000 51626.9429 -110159.8606 296.7008 -161786.8035 -109802.9688 297.4462 164.7730 193.2596 761798.2975 13.5976 13.5260 PRESSURE: 4863000 223.252 -113.388 215.193 -113.389 352.726 26.1259 215.193 26.1259 -184.136 GPRESSURE: 4863000 210.981 -129.686 250.786 -71.4596 352.469 29.6365 49.0489 -52.0566 -77.4398 PRESSAVG: 4863000 104.393 -29.8426 34.7254 -29.8427 -111.399 7.28612 34.7254 7.28602 14.0406 GPRESSAVG: 4863000 104.147 -29.1559 33.9629 -30.7016 -110.534 6.39907 32.9033 5.35355 13.1406 TIMING: 4863000 CPU: 15380.2, 0.0031911/step Wall: 15380.2, 0.0031911/step, 0.121439 hours remaining, 236.734375 MB of memory in use. ENERGY: 4863000 3926.9419 20392.7169 14417.9015 234.8150 -203906.5854 2920.3579 0.0000 0.0000 51827.8222 -110186.0300 297.8552 -162013.8522 -109829.5600 297.3140 130.6140 162.0034 761197.0880 2.3447 2.2512 PRESSURE: 4863200 -355.545 -223.86 92.7793 -223.859 -79.3882 273.235 92.7786 273.235 335.367 GPRESSURE: 4863200 -282.072 -192.881 134.752 -40.2231 -28.3182 207.457 50.3176 279.401 291.068 PRESSAVG: 4863200 -1.26811 -17.7284 69.789 -17.7284 -19.8754 41.2813 69.789 41.2813 -3.45292 GPRESSAVG: 4863200 -2.35219 -15.1402 70.3065 -17.0992 -19.1661 40.9584 71.9178 42.7436 -2.97398 TIMING: 4863200 CPU: 15380.8, 0.0031841/step Wall: 15380.8, 0.0031841/step, 0.120996 hours remaining, 236.734375 MB of memory in use. ENERGY: 4863200 4002.6397 20369.9813 14521.2999 246.6494 -203540.7551 2659.2331 0.0000 0.0000 51619.3383 -110121.6134 296.6570 -161740.9517 -109769.9814 297.1208 -33.1885 -6.4406 763165.1814 -8.1988 -8.1641 PRESSURE: 4863400 193.506 171.012 40.2854 171.01 213.507 -38.3098 40.2853 -38.3086 108.724 GPRESSURE: 4863400 171.884 141.699 81.268 142.181 299.737 63.001 34.1949 -87.6623 116.475 PRESSAVG: 4863400 44.6981 37.7465 -24.2737 37.7466 -29.3627 -8.086 -24.2737 -8.08603 31.7167 GPRESSAVG: 4863400 44.6226 37.8582 -24.8881 36.2467 -29.6929 -8.01762 -23.7071 -7.05386 32.3321 TIMING: 4863400 CPU: 15381.5, 0.00318634/step Wall: 15381.5, 0.00318634/step, 0.120904 hours remaining, 236.734375 MB of memory in use. ENERGY: 4863400 3966.3819 20471.4667 14488.2791 253.9397 -203906.8697 2818.1651 0.0000 0.0000 51891.3037 -110017.3336 298.2200 -161908.6373 -109663.7427 297.6462 171.9122 196.0322 761389.2855 15.6840 15.7539 PRESSURE: 4863600 113.299 72.7963 -91.9492 72.7962 -25.8318 -256.096 -91.9493 -256.094 -212.202 GPRESSURE: 4863600 62.302 -6.99612 -65.8081 54.0047 45.7396 -279.345 -97.9665 -247.943 -155.474 PRESSAVG: 4863600 97.3755 33.7253 13.4147 33.7253 -61.1525 -6.49149 13.4147 -6.4915 -1.32177 GPRESSAVG: 4863600 96.4969 32.1273 13.5772 33.0034 -59.6623 -5.60816 12.9346 -8.19077 -1.81376 TIMING: 4863600 CPU: 15382.1, 0.00315441/step Wall: 15382.1, 0.00315441/step, 0.119517 hours remaining, 236.734375 MB of memory in use. ENERGY: 4863600 3979.7901 20615.6261 14485.2623 254.0112 -204039.3387 2939.7999 0.0000 0.0000 51856.4064 -109908.4428 298.0195 -161764.8492 -109546.3529 298.4241 -41.5783 -15.8107 762736.5024 11.6337 11.6736 PRESSURE: 4863800 197.701 -17.272 -28.2374 -17.2714 294.299 5.61766 -28.2376 5.61636 235.476 GPRESSURE: 4863800 134.113 89.1534 -34.051 -183.943 325.362 -25.2307 -28.7791 -3.64602 320.282 PRESSAVG: 4863800 43.7803 29.4591 18.9005 29.4591 -45.9921 -35.8042 18.9005 -35.8041 19.8707 GPRESSAVG: 4863800 43.0222 28.7018 18.602 29.6496 -46.4156 -36.246 19.8373 -36.2585 21.3566 TIMING: 4863800 CPU: 15382.7, 0.003182/step Wall: 15382.7, 0.003182/step, 0.120386 hours remaining, 236.734375 MB of memory in use. ENERGY: 4863800 3896.4395 20508.6237 14458.2268 237.5090 -204119.5459 3018.0587 0.0000 0.0000 52038.4191 -109962.2690 299.0655 -162000.6881 -109602.3601 298.1952 242.4919 259.9192 762571.8967 5.8863 5.9877 PRESSURE: 4864000 148.128 -214.662 81.782 -214.663 -75.1372 49.0331 81.7831 49.033 -133.877 GPRESSURE: 4864000 231.1 -268.603 67.9769 -92.5424 -145.719 38.909 175.877 74.7785 -75.697 PRESSAVG: 4864000 56.2873 -53.7709 40.0659 -53.7709 -23.6021 -35.4753 40.0659 -35.4754 -4.32851 GPRESSAVG: 4864000 58.0046 -52.1666 39.742 -52.5883 -23.2564 -36.2071 40.9148 -33.2574 -6.15542 TIMING: 4864000 CPU: 15383.4, 0.00317163/step Wall: 15383.4, 0.00317163/step, 0.119817 hours remaining, 236.734375 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: 4864000 3994.0615 20425.0297 14524.7906 245.0809 -203786.4264 2799.3421 0.0000 0.0000 51681.5740 -110116.5474 297.0147 -161798.1214 -109758.8698 297.7970 -20.2952 3.2280 762000.0729 9.4523 9.5309 PRESSURE: 4864200 -223.325 177.083 -9.92196 177.083 -362.28 -255.357 -9.92129 -255.358 -22.4808 GPRESSURE: 4864200 -179.59 21.7678 -40.3047 200.317 -405.773 -249.517 115.139 -169.584 45.995 PRESSAVG: 4864200 86.5161 -7.24781 21.132 -7.24785 -104.913 -21.4622 21.132 -21.4621 8.20401 GPRESSAVG: 4864200 87.2636 -6.93429 21.135 -9.09498 -105.654 -21.8591 19.9421 -21.1481 8.32828 TIMING: 4864200 CPU: 15384, 0.00317488/step Wall: 15384, 0.00317488/step, 0.119763 hours remaining, 236.734375 MB of memory in use. ENERGY: 4864200 3985.7552 20472.8297 14515.0132 265.9878 -203770.9553 2679.4387 0.0000 0.0000 52021.3308 -109830.5999 298.9673 -161851.9307 -109468.9967 297.5920 -202.6951 -179.7893 761281.4499 -3.3976 -3.3540 LDB: ============= START OF LOAD BALANCING ============== 15396.5 LDB: ============== END OF LOAD BALANCING =============== 15396.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15396.5 LDB: ============= START OF LOAD BALANCING ============== 15396.8 LDB: Largest compute 7026 load 0.037078 is 19.0% of average load 0.195583 LDB: Average compute 0.004387 is 2.2% of average load 0.195583 LDB: TIME 15396.9 LOAD: AVG 0.195583 MAX 0.215206 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.395 MB LDB: TIME 15396.9 LOAD: AVG 0.195583 MAX 0.215206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: TIME 15396.9 LOAD: AVG 0.195583 MAX 0.215206 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.598 MB LDB: ============== END OF LOAD BALANCING =============== 15396.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15396.9 PRESSURE: 4864400 180.065 -98.8755 134.23 -98.8763 -154.891 -77.2181 134.23 -77.2178 -203.284 GPRESSURE: 4864400 63.9003 -98.0559 68.7762 -152.137 -40.0407 -54.4564 22.7487 -77.9196 -111.487 PRESSAVG: 4864400 33.9198 13.893 2.56833 13.893 -0.731671 -43.4806 2.56831 -43.4807 -23.3968 GPRESSAVG: 4864400 32.1637 13.9678 2.66043 15.4217 -0.0634131 -42.975 1.30546 -45.2732 -22.5046 TIMING: 4864400 CPU: 15384.6, 0.0032545/step Wall: 15384.6, 0.0032545/step, 0.122586 hours remaining, 236.441406 MB of memory in use. ENERGY: 4864400 3976.4362 20378.2139 14532.1785 244.1549 -203282.3752 2601.2289 0.0000 0.0000 51674.1923 -109875.9706 296.9723 -161550.1628 -109522.4217 298.1951 -59.3700 -29.2092 761420.7392 3.2638 3.1986 PRESSURE: 4864600 102.445 -1.68318 -160.982 -1.68308 125.194 -119.554 -160.982 -119.554 112.456 GPRESSURE: 4864600 265.424 -7.60224 -288.212 114.484 31.8979 -112.376 -48.3174 -45.5928 128.725 PRESSAVG: 4864600 64.9295 -10.6147 -4.88429 -10.6147 -29.9275 -15.1463 -4.88427 -15.1463 -10.7054 GPRESSAVG: 4864600 67.2918 -12.1226 -5.29716 -9.81997 -30.8926 -15.6476 -3.87228 -13.4982 -12.1059 TIMING: 4864600 CPU: 15385.3, 0.00317422/step Wall: 15385.3, 0.00317422/step, 0.119386 hours remaining, 236.488281 MB of memory in use. ENERGY: 4864600 3936.2568 20445.3567 14489.5276 254.3544 -203209.9032 2448.0254 0.0000 0.0000 52148.4959 -109487.8863 299.6981 -161636.3823 -109125.8536 298.5974 113.3649 142.0157 759951.4525 8.0989 8.0978 PRESSURE: 4864800 -96.0777 -45.0257 52.4069 -45.0252 -288.233 -38.9752 52.4069 -38.9751 117.25 GPRESSURE: 4864800 -56.7814 -10.4737 89.5699 -59.7979 -226.345 -20.9346 94.4716 35.2576 92.784 PRESSAVG: 4864800 4.07575 -36.4135 -12.1137 -36.4135 -60.6749 22.3103 -12.1138 22.3103 6.19627 GPRESSAVG: 4864800 2.73864 -35.5855 -10.1432 -35.4883 -60.2044 23.6026 -12.0842 23.1445 7.40789 TIMING: 4864800 CPU: 15385.9, 0.00315531/step Wall: 15385.9, 0.00315531/step, 0.118499 hours remaining, 236.488281 MB of memory in use. ENERGY: 4864800 3960.3388 20484.0794 14551.1988 266.7074 -203206.4255 2411.1117 0.0000 0.0000 52111.7408 -109421.2486 299.4869 -161532.9894 -109069.0831 299.1284 -89.0202 -63.4475 762873.5496 -16.8010 -16.6859 PRESSURE: 4865000 -166.486 98.4295 169.863 98.429 -68.375 -44.7381 169.864 -44.738 -341.395 GPRESSURE: 4865000 -129.737 48.9094 112.076 24.1816 -26.1016 12.1173 89.2764 -79.6784 -337.163 PRESSAVG: 4865000 15.1663 -13.4941 6.34367 -13.4941 24.0225 -27.8455 6.3437 -27.8455 -5.79836 GPRESSAVG: 4865000 16.6271 -13.5725 6.67505 -15.4314 23.812 -27.4397 4.58293 -29.4759 -6.71334 TIMING: 4865000 CPU: 15386.5, 0.00316735/step Wall: 15386.5, 0.00316735/step, 0.118775 hours remaining, 236.488281 MB of memory in use. ENERGY: 4865000 3952.2015 20527.3360 14504.3988 245.9655 -203135.1035 2389.6566 0.0000 0.0000 52017.2363 -109498.3088 298.9438 -161515.5451 -109142.3731 298.4127 -192.0853 -164.3341 761703.9836 11.1301 11.2419 PRESSURE: 4865200 -160.07 -355.357 -37.6769 -355.356 12.9603 109.203 -37.6761 109.203 -31.8151 GPRESSURE: 4865200 -34.2902 -189.765 -95.5804 -373.846 -73.481 81.4389 74.6658 100.305 22.7978 PRESSAVG: 4865200 45.0504 -60.7835 26.4552 -60.7835 -56.2849 -67.6149 26.4553 -67.6149 -4.27133 GPRESSAVG: 4865200 44.1517 -61.1862 26.6508 -60.7787 -54.9781 -68.0867 25.8347 -67.7919 -4.8747 TIMING: 4865200 CPU: 15387.2, 0.0031563/step Wall: 15387.2, 0.0031563/step, 0.118186 hours remaining, 236.488281 MB of memory in use. ENERGY: 4865200 4081.6190 20553.6215 14540.1423 249.7536 -203648.5307 2595.9775 0.0000 0.0000 52320.1642 -109307.2527 300.6847 -161627.4169 -108946.2045 298.7552 -59.6415 -28.3245 760235.2116 -5.1686 -5.2337 PRESSURE: 4865400 -78.806 84.874 140.033 84.8738 252.107 87.104 140.032 87.1046 416.16 GPRESSURE: 4865400 -26.1876 -39.6475 208.797 30.8766 270.152 72.7196 205.508 108.818 417.496 PRESSAVG: 4865400 36.94 -21.8485 -9.76148 -21.8484 -6.64643 -63.5464 -9.76151 -63.5464 5.98118 GPRESSAVG: 4865400 38.8038 -22.7769 -11.275 -20.6633 -8.76194 -64.4885 -7.11251 -64.4845 6.60303 TIMING: 4865400 CPU: 15387.8, 0.00314553/step Wall: 15387.8, 0.00314553/step, 0.117608 hours remaining, 236.488281 MB of memory in use. ENERGY: 4865400 3980.8975 20534.8096 14502.7910 242.7817 -203111.9717 2522.7200 0.0000 0.0000 51972.4115 -109355.5603 298.6862 -161327.9718 -108994.6187 299.4281 196.4869 220.4868 761330.8589 12.0916 12.2150 PRESSURE: 4865600 23.1708 -106.709 -271.544 -106.709 204.309 -109.284 -271.544 -109.284 -222.512 GPRESSURE: 4865600 -1.08583 -175.192 -338.634 -13.8841 241.083 -174.934 -180.74 47.3913 -151.418 PRESSAVG: 4865600 -5.68121 -18.4995 -23.1957 -18.4995 28.6123 22.9777 -23.1957 22.9777 24.8956 GPRESSAVG: 4865600 -7.92603 -14.8648 -23.3372 -20.0903 29.4452 23.5715 -26.1498 23.5534 26.2311 TIMING: 4865600 CPU: 15388.4, 0.00315451/step Wall: 15388.4, 0.00315451/step, 0.117768 hours remaining, 236.632812 MB of memory in use. ENERGY: 4865600 4041.0969 20349.6795 14457.7291 265.9107 -203445.9116 2745.4089 0.0000 0.0000 52053.7854 -109532.3013 299.1538 -161586.0866 -109162.4804 298.3243 1.6560 29.5264 761742.7825 15.9422 15.9168 PRESSURE: 4865800 142.542 82.4458 -98.1535 82.4459 -120.619 -175 -98.1535 -174.999 -158.774 GPRESSURE: 4865800 209.67 3.1509 -88.9481 17.6144 -101.985 -183.862 -127.91 -209.868 -141.195 PRESSAVG: 4865800 7.20444 -24.1111 26.9483 -24.111 5.36307 -19.6285 26.9483 -19.6286 5.5415 GPRESSAVG: 4865800 8.1814 -24.3426 26.6615 -23.1801 5.62193 -18.9614 29.7093 -18.8797 4.43045 TIMING: 4865800 CPU: 15389.1, 0.00315033/step Wall: 15389.1, 0.00315033/step, 0.117437 hours remaining, 236.632812 MB of memory in use. ENERGY: 4865800 4016.4282 20429.1167 14470.1360 255.9661 -203315.7721 2758.4053 0.0000 0.0000 51845.7483 -109539.9715 297.9582 -161385.7199 -109179.5575 298.9316 -45.6170 -11.1700 762439.4233 6.0363 6.0779 PRESSURE: 4866000 -178.313 178.811 274.664 178.81 -13.4216 119.307 274.665 119.308 311.18 GPRESSURE: 4866000 -147.61 132.599 373.81 194.846 66.2678 90.7078 90.0021 130.983 286.185 PRESSAVG: 4866000 57.7084 -49.3644 25.1905 -49.3645 -75.5444 -43.781 25.1905 -43.781 -5.26103 GPRESSAVG: 4866000 56.2394 -51.2552 25.6809 -48.031 -75.0221 -44.3009 23.5416 -44.6235 -4.97839 TIMING: 4866000 CPU: 15389.7, 0.00314074/step Wall: 15389.7, 0.00314074/step, 0.116905 hours remaining, 236.632812 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: 4866000 4028.1915 20540.5079 14504.9119 247.1408 -203219.7882 2414.3234 0.0000 0.0000 51990.6666 -109494.0461 298.7911 -161484.7127 -109142.6972 298.1701 39.8153 68.2811 762632.2722 -7.6990 -7.9204 PRESSURE: 4866200 187.918 -163.653 -92.6854 -163.654 303.764 -200.714 -92.6857 -200.714 -326.107 GPRESSURE: 4866200 244.801 -196.488 -31.4029 -124.931 268.655 -188.494 -26.1546 -60.4927 -274.552 PRESSAVG: 4866200 0.594625 21.1441 1.44445 21.1441 41.6951 -57.1167 1.44445 -57.1168 -15.0605 GPRESSAVG: 4866200 0.591756 21.5588 1.32681 20.6768 40.9789 -55.5105 2.31354 -59.485 -14.6589 TIMING: 4866200 CPU: 15390.3, 0.00316226/step Wall: 15390.3, 0.00316226/step, 0.117531 hours remaining, 236.835938 MB of memory in use. ENERGY: 4866200 3985.8229 20406.9787 14522.7734 218.4108 -203431.4116 2727.9586 0.0000 0.0000 52264.5037 -109304.9636 300.3648 -161569.4673 -108934.8033 299.0404 55.1916 79.6347 762223.8407 9.0764 8.9706 PRESSURE: 4866400 201.006 128.391 -189.919 128.39 -20.1489 416.215 -189.919 416.214 13.6394 GPRESSURE: 4866400 178.854 62.3174 -71.1874 80.0427 36.9749 487.767 -164.177 358.546 77.143 PRESSAVG: 4866400 12.0724 -10.4504 -9.17783 -10.4504 -33.1799 1.77652 -9.17783 1.77649 -18.0449 GPRESSAVG: 4866400 12.2493 -10.3801 -8.68654 -11.8238 -33.1393 0.50963 -10.0921 6.12052 -18.3074 TIMING: 4866400 CPU: 15391, 0.00317431/step Wall: 15391, 0.00317431/step, 0.117802 hours remaining, 236.835938 MB of memory in use. ENERGY: 4866400 3991.6857 20446.5759 14545.8063 240.7299 -203834.2877 2798.8563 0.0000 0.0000 52239.5793 -109571.0541 300.2216 -161810.6335 -109201.7885 299.1411 64.8321 97.6573 762558.2745 -13.0508 -13.0658 PRESSURE: 4866600 -19.388 -216.535 169.499 -216.535 -336.773 -137.624 169.498 -137.623 309.771 GPRESSURE: 4866600 91.5626 -71.7188 260.171 -182.077 -357.44 -208.483 161.396 -87.9562 302.681 PRESSAVG: 4866600 -0.508227 1.92222 72.6454 1.92223 -2.10861 14.1662 72.6455 14.1662 0.31054 GPRESSAVG: 4866600 -0.214722 3.21905 71.0209 1.76985 -3.39818 14.4452 72.3184 13.0801 1.30809 TIMING: 4866600 CPU: 15391.6, 0.00315723/step Wall: 15391.6, 0.00315723/step, 0.116993 hours remaining, 236.835938 MB of memory in use. ENERGY: 4866600 4044.8214 20722.4721 14526.7438 232.6763 -203788.3143 2806.6928 0.0000 0.0000 52100.1992 -109354.7087 299.4206 -161454.9078 -109001.3335 298.8195 -15.4634 12.2679 762329.7893 -0.7688 -0.7683 PRESSURE: 4866800 -43.5635 33.1776 139.293 33.1772 -174.389 -17.865 139.293 -17.865 94.5804 GPRESSURE: 4866800 -36.4829 -76.9955 152.789 72.0443 -126.827 21.7335 53.4581 59.1456 118.5 PRESSAVG: 4866800 3.25009 2.77853 27.0976 2.77847 -12.4523 7.64518 27.0977 7.64533 20.7181 GPRESSAVG: 4866800 3.62374 2.35735 29.6665 2.88278 -11.1588 7.43135 26.382 6.10943 19.0155 TIMING: 4866800 CPU: 15392.2, 0.00314404/step Wall: 15392.2, 0.00314404/step, 0.116329 hours remaining, 236.835938 MB of memory in use. ENERGY: 4866800 4042.0159 20441.3130 14535.1429 251.7549 -203377.7339 2461.7327 0.0000 0.0000 52419.5231 -109226.2513 301.2557 -161645.7744 -108853.2429 299.6134 -41.1240 -14.9366 763258.1145 3.8386 3.8268 PRESSURE: 4867000 -60.9654 -115.99 -237.79 -115.989 -284.165 -8.01724 -237.789 -8.01783 -161.407 GPRESSURE: 4867000 -102.361 -59.3272 -298.218 -85.3989 -194.494 -5.64021 -152.572 28.1579 -127.905 PRESSAVG: 4867000 2.11021 -7.76449 33.7715 -7.76446 -1.97317 35.5386 33.7715 35.5386 11.2027 GPRESSAVG: 4867000 2.40147 -7.54028 31.2652 -7.4738 -1.70001 35.3448 38.2139 34.5348 10.2596 TIMING: 4867000 CPU: 15392.9, 0.00318367/step Wall: 15392.9, 0.00318367/step, 0.117619 hours remaining, 236.835938 MB of memory in use. ENERGY: 4867000 4013.1416 20517.1047 14425.3503 246.3363 -203092.2476 2429.4602 0.0000 0.0000 52285.6275 -109175.2270 300.4862 -161460.8545 -108811.3727 300.1592 -168.8460 -141.5867 761807.4931 3.7799 3.6537 PRESSURE: 4867200 10.0771 32.6432 31.402 32.6441 89.9834 128.592 31.4025 128.592 231.418 GPRESSURE: 4867200 88.3124 101.909 24.9158 -65.406 65.003 98.355 53.5134 131.729 266.825 PRESSAVG: 4867200 48.1714 -19.871 14.6622 -19.871 7.49934 -19.9524 14.6622 -19.9525 10.3337 GPRESSAVG: 4867200 48.2895 -23.0159 15.2589 -20.1601 7.094 -19.4204 11.8652 -19.4238 10.8373 TIMING: 4867200 CPU: 15393.5, 0.00315169/step Wall: 15393.5, 0.00315169/step, 0.116262 hours remaining, 236.835938 MB of memory in use. ENERGY: 4867200 3989.9816 20525.3134 14537.3422 241.6456 -203328.5739 2673.9249 0.0000 0.0000 52446.8374 -108913.5288 301.4127 -161360.3662 -108539.9423 299.9955 110.4927 140.0467 760891.2453 22.0015 22.0736 PRESSURE: 4867400 247.756 228.191 -275.545 228.19 73.5014 -38.4117 -275.544 -38.411 -31.8638 GPRESSURE: 4867400 192.94 249.595 -283.132 258.455 150.218 36.4483 -263.365 -37.5221 19.0233 PRESSAVG: 4867400 18.7972 -13.0582 8.4168 -13.0583 -29.9172 -79.6365 8.41678 -79.6365 2.72383 GPRESSAVG: 4867400 17.2831 -10.8616 9.35501 -12.7005 -30.2162 -79.1501 8.30478 -79.0415 3.96355 TIMING: 4867400 CPU: 15394.1, 0.00313912/step Wall: 15394.1, 0.00313912/step, 0.115624 hours remaining, 236.835938 MB of memory in use. ENERGY: 4867400 3997.1763 20608.5759 14449.8954 252.0747 -203296.8922 2763.2883 0.0000 0.0000 52509.6700 -108716.2116 301.7738 -161225.8817 -108353.7143 300.9170 96.4646 120.7273 762615.0543 -2.7987 -2.9898 PRESSURE: 4867600 33.154 94.1309 9.11338 94.1324 -8.50326 228.267 9.11251 228.268 -114.009 GPRESSURE: 4867600 136.112 0.0751447 -90.4124 40.0198 -78.5379 237.698 28.0928 184.942 -51.6881 PRESSAVG: 4867600 63.2806 -37.9103 -40.8152 -37.9103 -52.4366 -42.7236 -40.8152 -42.7236 -19.1491 GPRESSAVG: 4867600 64.1802 -38.4365 -41.4483 -38.1054 -51.7572 -41.5011 -40.9769 -40.76 -20.5247 TIMING: 4867600 CPU: 15394.7, 0.00315227/step Wall: 15394.7, 0.00315227/step, 0.115934 hours remaining, 236.835938 MB of memory in use. ENERGY: 4867600 4123.0647 20649.5488 14532.8985 245.6650 -203086.2093 2637.1219 0.0000 0.0000 52163.1704 -108734.7401 299.7825 -160897.9104 -108374.5260 300.8376 -29.7862 1.9620 763174.7820 -2.7684 -2.7005 PRESSURE: 4867800 122.223 -58.9086 99.3207 -58.9079 -127.326 54.8553 99.3209 54.8561 -93.557 GPRESSURE: 4867800 40.6498 -115.806 37.0835 -9.31753 -12.6678 -23.865 11.7478 -7.53589 -27.0571 PRESSAVG: 4867800 16.1047 -17.2893 -43.6812 -17.2893 2.81725 6.15403 -43.6812 6.15407 -3.85444 GPRESSAVG: 4867800 14.8277 -16.7482 -43.1761 -15.8072 2.51383 5.10776 -44.4489 3.37633 -2.4991 TIMING: 4867800 CPU: 15395.4, 0.00314572/step Wall: 15395.4, 0.00314572/step, 0.115518 hours remaining, 236.835938 MB of memory in use. ENERGY: 4867800 4006.5473 20553.5787 14476.9440 272.7722 -203045.5203 2265.9378 0.0000 0.0000 52451.4672 -109018.2731 301.4393 -161469.7403 -108651.9408 300.6615 -32.8865 0.3083 762501.9707 5.0225 4.9475 PRESSURE: 4868000 -400.921 -134.702 99.9778 -134.702 -90.7732 2.71112 99.9773 2.70953 -211.972 GPRESSURE: 4868000 -310.323 -33.6678 81.2679 -171.917 -147.099 15.3446 -34.7301 -35.6612 -166.676 PRESSAVG: 4868000 -32.0863 2.27355 30.3038 2.27358 -31.5012 -13.8605 30.3038 -13.8605 31.0263 GPRESSAVG: 4868000 -30.3872 2.15763 29.4708 -0.428008 -31.5081 -15.2021 30.1166 -11.519 29.0058 TIMING: 4868000 CPU: 15396, 0.00316064/step Wall: 15396, 0.00316064/step, 0.11589 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: 4868000 4126.9276 20611.9186 14429.3090 241.2966 -203059.2211 2530.5226 0.0000 0.0000 52118.2636 -109000.9832 299.5244 -161119.2468 -108639.9363 300.2614 -234.5555 -208.0327 764125.3529 -10.8537 -10.9631 PRESSURE: 4868200 -72.0639 53.5691 102.529 53.5694 80.188 -90.9379 102.529 -90.9372 -33.9396 GPRESSURE: 4868200 -46.9721 114.758 198.605 0.390423 146.321 -67.1957 175.363 -18.1995 -38.5614 PRESSAVG: 4868200 -51.8438 -66.5056 13.3411 -66.5056 29.5838 -24.72 13.3411 -24.72 4.75352 GPRESSAVG: 4868200 -52.5639 -63.7541 14.0042 -67.2468 29.2855 -24.8283 13.5021 -23.1138 6.28766 TIMING: 4868200 CPU: 15396.6, 0.00317052/step Wall: 15396.6, 0.00317052/step, 0.116076 hours remaining, 236.835938 MB of memory in use. ENERGY: 4868200 4030.8955 20561.2480 14453.1320 237.4074 -203146.9476 2513.8582 0.0000 0.0000 52057.3215 -109293.0851 299.1741 -161350.4066 -108931.9103 299.6324 -8.6052 20.2625 762363.4559 -5.8355 -5.6636 LDB: ============= START OF LOAD BALANCING ============== 15409.2 LDB: ============== END OF LOAD BALANCING =============== 15409.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15409.2 LDB: ============= START OF LOAD BALANCING ============== 15409.5 LDB: Largest compute 7026 load 0.037109 is 19.0% of average load 0.195578 LDB: Average compute 0.004381 is 2.2% of average load 0.195578 LDB: TIME 15409.5 LOAD: AVG 0.195578 MAX 0.21507 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.387 MB LDB: TIME 15409.5 LOAD: AVG 0.195578 MAX 0.21507 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.457 MB LDB: TIME 15409.5 LOAD: AVG 0.195578 MAX 0.21507 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.457 MB LDB: ============== END OF LOAD BALANCING =============== 15409.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15409.5 PRESSURE: 4868400 200.224 -206.835 63.6861 -206.835 12.9746 -122.779 63.6862 -122.779 -394.32 GPRESSURE: 4868400 217.537 -283.03 60.8989 -110.701 119.031 -188.495 101.039 -28.8718 -421.426 PRESSAVG: 4868400 38.7998 9.66723 10.9574 9.66717 -15.6334 -34.4705 10.9574 -34.4705 -11.3365 GPRESSAVG: 4868400 39.0592 7.35075 11.0437 11.0075 -14.807 -35.5296 10.2595 -36.3043 -12.4997 TIMING: 4868400 CPU: 15397.3, 0.00323482/step Wall: 15397.3, 0.00323482/step, 0.118251 hours remaining, 235.214844 MB of memory in use. ENERGY: 4868400 4048.9660 20548.6862 14458.8443 240.7576 -203222.8739 2542.4852 0.0000 0.0000 51976.6987 -109406.4358 298.7108 -161383.1346 -109040.2442 299.0388 -60.3739 -28.2862 762124.6508 3.9433 3.9175 PRESSURE: 4868600 -235.99 37.6507 12.1689 37.6518 -348.622 -193.11 12.1684 -193.109 -516.03 GPRESSURE: 4868600 -220.792 157.142 -107.91 -8.17732 -408.797 -209.374 119.605 -106.26 -390.515 PRESSAVG: 4868600 69.7096 -36.2557 -2.4832 -36.2557 -55.9612 -35.3584 -2.48322 -35.3584 0.587259 GPRESSAVG: 4868600 68.7376 -38.2193 -2.84749 -35.528 -56.2079 -34.1993 -2.09756 -36.8569 2.00034 TIMING: 4868600 CPU: 15397.9, 0.00315994/step Wall: 15397.9, 0.00315994/step, 0.115338 hours remaining, 235.660156 MB of memory in use. ENERGY: 4868600 3943.7926 20567.1225 14623.0730 217.8708 -202853.1422 2169.9721 0.0000 0.0000 51662.8481 -109668.4632 296.9071 -161331.3112 -109313.0386 299.1502 -366.8808 -340.0347 762451.5726 4.7786 4.8433 PRESSURE: 4868800 -415.277 73.07 -114.027 73.0704 -317.551 -108.665 -114.027 -108.665 -136.007 GPRESSURE: 4868800 -347.351 55.9672 -72.0964 14.6718 -342.501 -175.389 -134.492 -190.077 -80.2966 PRESSAVG: 4868800 39.9005 57.2558 -7.9474 57.2557 -50.7685 -2.09263 -7.94744 -2.09271 -7.34922 GPRESSAVG: 4868800 40.0818 59.0541 -6.8976 58.1464 -51.0256 -0.947917 -7.37841 0.510098 -6.89137 TIMING: 4868800 CPU: 15398.6, 0.00317477/step Wall: 15398.6, 0.00317477/step, 0.115703 hours remaining, 235.660156 MB of memory in use. ENERGY: 4868800 3940.5870 20530.8956 14489.2844 235.7019 -202830.6231 2202.8203 0.0000 0.0000 51921.0485 -109510.2854 298.3910 -161431.3339 -109147.8077 298.6081 -289.6117 -256.7161 762918.2831 -6.0724 -5.9451 PRESSURE: 4869000 -1.18654 15.6149 -118.691 15.6154 -66.5281 -92.5713 -118.691 -92.5714 160.398 GPRESSURE: 4869000 17.9556 70.3691 -76.1993 -7.94841 -0.805823 -124.241 -180.697 -175.998 153.124 PRESSAVG: 4869000 65.2041 -6.36941 67.7295 -6.36944 -44.526 -31.268 67.7295 -31.2681 -4.30643 GPRESSAVG: 4869000 66.1322 -6.5162 66.1142 -8.01156 -42.9696 -32.3903 66.5473 -31.6181 -6.27067 TIMING: 4869000 CPU: 15399.2, 0.00315662/step Wall: 15399.2, 0.00315662/step, 0.114866 hours remaining, 235.660156 MB of memory in use. ENERGY: 4869000 3985.9966 20529.7777 14414.5132 225.8812 -203722.7034 2760.7222 0.0000 0.0000 52258.8733 -109546.9393 300.3325 -161805.8126 -109183.3255 298.9908 30.8944 56.7580 762550.0059 5.4572 5.6306 PRESSURE: 4869200 119.369 -82.7008 -51.0138 -82.7018 -12.5932 8.08038 -51.0131 8.07987 184.51 GPRESSURE: 4869200 217.541 -72.3292 -119.445 12.0109 41.5266 49.6193 19.2611 -9.33231 138.422 PRESSAVG: 4869200 -6.09763 9.02882 -28.2651 9.02876 0.413755 -46.3861 -28.265 -46.3861 7.50944 GPRESSAVG: 4869200 -6.3488 8.69975 -26.8049 9.61457 -0.726473 -44.1801 -26.8362 -46.6618 8.1288 TIMING: 4869200 CPU: 15399.8, 0.0031775/step Wall: 15399.8, 0.0031775/step, 0.115449 hours remaining, 235.660156 MB of memory in use. ENERGY: 4869200 3865.5787 20594.1935 14545.0786 274.2696 -203327.2556 2488.9469 0.0000 0.0000 51974.5393 -109584.6489 298.6984 -161559.1882 -109221.9056 298.9842 97.0951 132.4967 761313.3362 0.6085 0.3512 PRESSURE: 4869400 -591.79 112.348 2.16436 112.347 -438.767 45.5792 2.16484 45.5799 73.2032 GPRESSURE: 4869400 -532.576 53.9985 -20.1034 -34.9535 -380.335 40.1766 183.549 12.2107 59.5147 PRESSAVG: 4869400 8.23221 -79.9276 -11.1562 -79.9275 -22.7002 -27.2271 -11.1562 -27.2271 -23.7669 GPRESSAVG: 4869400 8.73211 -79.9437 -10.6584 -80.6539 -22.2211 -29.1481 -11.9845 -28.9817 -24.062 TIMING: 4869400 CPU: 15400.5, 0.00318287/step Wall: 15400.5, 0.00318287/step, 0.115467 hours remaining, 235.660156 MB of memory in use. ENERGY: 4869400 4036.8870 20582.3516 14548.3118 235.1724 -203236.7869 2445.7666 0.0000 0.0000 51869.2239 -109519.0735 298.0931 -161388.2974 -109155.6330 299.0312 -319.1181 -284.4656 761791.4027 -12.7450 -12.5170 PRESSURE: 4869600 -160.822 50.6891 135.109 50.6891 446.566 5.18753 135.109 5.18785 233.968 GPRESSURE: 4869600 -127.569 36.9964 191.245 40.2779 475.625 137.143 269.92 -13.4747 252.319 PRESSAVG: 4869600 -8.1819 -6.98509 -6.84164 -6.98512 6.98652 9.65958 -6.84164 9.65962 6.38608 GPRESSAVG: 4869600 -9.43248 -7.66391 -8.13738 -6.47834 7.02571 11.3754 -6.83261 11.2179 7.36898 TIMING: 4869600 CPU: 15401.1, 0.00318423/step Wall: 15401.1, 0.00318423/step, 0.11534 hours remaining, 235.660156 MB of memory in use. ENERGY: 4869600 3997.1498 20471.0511 14480.4348 241.8978 -203509.0319 2583.8183 0.0000 0.0000 51984.6039 -109750.0764 298.7562 -161734.6803 -109399.2396 298.8662 173.2374 200.1251 759977.9722 1.7302 1.6541 PRESSURE: 4869800 133.871 -77.5397 159.731 -77.5385 -253.665 -270.554 159.731 -270.553 205.149 GPRESSURE: 4869800 65.9532 -22.0425 154.035 -205.949 -179.297 -299.902 203.005 -249.385 274.718 PRESSAVG: 4869800 -7.69183 -13.6969 2.78445 -13.6969 14.4354 -21.7129 2.78443 -21.7128 -10.4593 GPRESSAVG: 4869800 -8.10801 -12.9927 3.75528 -15.3802 15.0957 -24.3006 2.07838 -22.2518 -10.4219 TIMING: 4869800 CPU: 15401.7, 0.00317323/step Wall: 15401.7, 0.00317323/step, 0.114765 hours remaining, 235.660156 MB of memory in use. ENERGY: 4869800 3952.9808 20484.6592 14470.2124 257.5143 -203321.8904 2623.9954 0.0000 0.0000 52032.3983 -109500.1299 299.0309 -161532.5283 -109137.7445 298.8238 28.4519 53.7912 762707.9868 -1.2386 -1.1447 PRESSURE: 4870000 128.744 -50.6999 -97.4029 -50.7001 93.7278 54.783 -97.4029 54.7835 -60.5428 GPRESSURE: 4870000 177.46 -110.505 -83.2764 -63.1171 214.982 -2.3807 -48.7126 169.112 -150.728 PRESSAVG: 4870000 23.138 -33.2987 16.4372 -33.2987 -8.89704 -23.635 16.4373 -23.635 17.4854 GPRESSAVG: 4870000 24.8475 -33.82 17.1311 -33.1735 -9.87834 -23.0412 14.501 -22.9843 16.8324 TIMING: 4870000 CPU: 15402.4, 0.00320104/step Wall: 15402.4, 0.00320104/step, 0.115593 hours remaining, 235.660156 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: 4870000 4004.9121 20403.3884 14510.2286 244.2598 -203752.5608 2950.0937 0.0000 0.0000 51906.1136 -109733.5646 298.3051 -161639.6782 -109373.0877 299.0423 53.9764 80.5714 761938.4280 10.5755 10.6005 PRESSURE: 4870200 -301.103 -43.1063 150.533 -43.106 -329.281 61.879 150.533 61.8788 56.1804 GPRESSURE: 4870200 -231.236 35.1557 198.095 -152.024 -253.712 100.718 214.552 59.3859 -17.2302 PRESSAVG: 4870200 29.3252 3.7319 54.8283 3.73181 -25.7847 37.5197 54.8283 37.5197 0.719231 GPRESSAVG: 4870200 29.5731 4.07014 53.3072 5.92725 -25.4847 37.1046 57.0572 35.7915 0.892388 TIMING: 4870200 CPU: 15403, 0.00317861/step Wall: 15403, 0.00317861/step, 0.114606 hours remaining, 235.660156 MB of memory in use. ENERGY: 4870200 4032.7717 20475.6385 14549.4372 257.6014 -203530.4413 2599.7093 0.0000 0.0000 51972.9534 -109642.3297 298.6893 -161615.2832 -109284.9961 298.6230 -191.4010 -167.3926 763021.0957 1.4199 1.6603 PRESSURE: 4870400 -94.2734 -169.86 122.124 -169.86 172.509 55.017 122.125 55.0165 420.659 GPRESSURE: 4870400 1.86723 -210.597 73.5586 -147.799 231.478 -41.1855 166.927 235.827 339.218 PRESSAVG: 4870400 -3.53526 -32.2041 39.6026 -32.2041 37.1692 -30.0489 39.6026 -30.0489 4.14521 GPRESSAVG: 4870400 -2.98764 -31.6315 40.2001 -33.0956 36.3536 -30.2251 37.8558 -28.2154 4.47488 TIMING: 4870400 CPU: 15403.6, 0.00315129/step Wall: 15403.6, 0.00315129/step, 0.113446 hours remaining, 235.660156 MB of memory in use. ENERGY: 4870400 4002.1890 20499.0613 14539.3530 258.2407 -204035.9271 2897.0123 0.0000 0.0000 52231.5373 -109608.5336 300.1754 -161840.0708 -109252.5629 298.9445 166.2983 190.8544 761107.8663 12.5930 12.6136 PRESSURE: 4870600 -77.4971 -40.5675 -19.3013 -40.5683 -25.7453 14.691 -19.3014 14.6915 186.604 GPRESSURE: 4870600 -105.54 4.08028 63.3935 -62.2991 -8.13341 -59.8239 -8.71026 51.1569 258.881 PRESSAVG: 4870600 11.7611 23.855 37.4504 23.855 21.3164 17.3156 37.4503 17.3156 10.0138 GPRESSAVG: 4870600 10.5458 24.3526 36.548 22.2598 21.7693 17.3692 38.7543 15.9171 11.088 TIMING: 4870600 CPU: 15404.3, 0.00316296/step Wall: 15404.3, 0.00316296/step, 0.113691 hours remaining, 235.660156 MB of memory in use. ENERGY: 4870600 4059.8536 20544.9979 14519.7369 248.0893 -203795.1997 2874.4328 0.0000 0.0000 51691.3059 -109856.7834 297.0706 -161548.0893 -109507.7044 298.5067 27.7871 48.4026 761898.6088 14.3637 14.4677 PRESSURE: 4870800 -163.096 -148.51 9.87308 -148.51 -218.249 230.349 9.87307 230.351 -182.275 GPRESSURE: 4870800 -41.6898 -100.157 44.1883 -155.308 -241.495 283.768 -41.7493 282.369 -170.333 PRESSAVG: 4870800 18.1499 -44.5335 -4.64286 -44.5335 -10.0387 50.6114 -4.64282 50.6115 -21.002 GPRESSAVG: 4870800 18.3412 -48.0139 -4.70942 -41.6147 -9.33855 51.3274 -6.84129 51.6701 -21.5348 TIMING: 4870800 CPU: 15404.9, 0.00315392/step Wall: 15404.9, 0.00315392/step, 0.113191 hours remaining, 235.660156 MB of memory in use. ENERGY: 4870800 4018.9829 20551.7625 14568.4850 243.3369 -203608.1184 2507.7650 0.0000 0.0000 51985.1982 -109732.5879 298.7596 -161717.7862 -109367.1636 298.4955 -187.8735 -151.1728 761522.1522 -4.2969 -4.1774 PRESSURE: 4871000 271.311 88.5556 -203.441 88.5559 17.3574 121.828 -203.442 121.828 134.692 GPRESSURE: 4871000 398.43 152.865 -96.2287 123.527 -1.55102 139.495 -164.146 78.8491 115.625 PRESSAVG: 4871000 38.5693 13.2393 -5.28212 13.2393 -31.0993 41.4714 -5.28205 41.4714 22.4454 GPRESSAVG: 4871000 40.6913 16.1158 -4.11386 10.522 -32.2018 42.0741 -4.21711 39.7645 21.3696 TIMING: 4871000 CPU: 15405.5, 0.00315864/step Wall: 15405.5, 0.00315864/step, 0.113184 hours remaining, 235.660156 MB of memory in use. ENERGY: 4871000 4012.8585 20535.5763 14496.7934 228.7486 -203637.5962 2804.1609 0.0000 0.0000 51741.4795 -109817.9791 297.3590 -161559.4586 -109472.3920 298.2717 141.1204 170.8344 761149.5185 9.9718 9.9530 PRESSURE: 4871200 -78.0375 160.217 -28.0572 160.217 -246.477 -35.7109 -28.0562 -35.7113 44.3004 GPRESSURE: 4871200 -123.511 107.49 -43.7335 138.939 -129.383 43.9027 31.3137 -8.55883 53.0282 PRESSAVG: 4871200 36.1977 18.7696 -6.70065 18.7696 -78.2935 -21.5823 -6.70073 -21.5824 -16.6955 GPRESSAVG: 4871200 34.7863 18.3397 -8.35261 20.7197 -76.981 -21.2221 -6.04919 -21.735 -16.3891 TIMING: 4871200 CPU: 15406.2, 0.00316279/step Wall: 15406.2, 0.00316279/step, 0.113157 hours remaining, 235.660156 MB of memory in use. ENERGY: 4871200 3995.5802 20450.4962 14518.8060 252.4595 -203489.2537 2514.8110 0.0000 0.0000 51879.1557 -109877.9451 298.1502 -161757.1007 -109531.0031 298.1435 -93.4046 -66.6219 761745.4125 -19.5971 -19.5280 PRESSURE: 4871400 132.909 -36.2124 66.7789 -36.2117 263.777 51.3383 66.7793 51.3377 250.768 GPRESSURE: 4871400 111.316 10.3886 84.1874 113.573 299.409 -21.4161 38.1212 93.9803 315.938 PRESSAVG: 4871400 -11.7392 -22.035 14.0055 -22.0351 -10.5374 -64.0211 14.0054 -64.021 7.75453 GPRESSAVG: 4871400 -12.1729 -22.7552 15.462 -20.342 -9.73233 -66.5413 14.1751 -61.8477 7.05179 TIMING: 4871400 CPU: 15406.8, 0.00317731/step Wall: 15406.8, 0.00317731/step, 0.113501 hours remaining, 235.660156 MB of memory in use. ENERGY: 4871400 3994.7498 20297.9259 14481.0091 240.9213 -203668.8531 2641.5077 0.0000 0.0000 52179.0783 -109833.6610 299.8739 -162012.7393 -109464.7729 298.4219 215.8180 242.2210 761108.4251 -4.8407 -4.9511 PRESSURE: 4871600 212.963 -65.6287 -32.3916 -65.6295 -334.994 6.65264 -32.3915 6.65273 35.021 GPRESSURE: 4871600 150.198 -32.3489 70.6655 -35.0917 -279.806 44.9264 -110.501 -34.7441 139.646 PRESSAVG: 4871600 39.5171 -0.824319 -11.18 -0.824361 -23.1092 -51.2553 -11.1801 -51.2554 -5.68549 GPRESSAVG: 4871600 38.8183 -0.179004 -12.9443 -2.90533 -23.8399 -49.2932 -11.3866 -51.7257 -4.30089 TIMING: 4871600 CPU: 15407.4, 0.00317035/step Wall: 15407.4, 0.00317035/step, 0.113076 hours remaining, 235.660156 MB of memory in use. ENERGY: 4871600 4017.4521 20597.5276 14462.7749 269.9927 -203505.9877 2689.7932 0.0000 0.0000 51874.1013 -109594.3460 298.1212 -161468.4473 -109239.2177 298.3203 -29.0035 3.3460 762211.4348 3.5741 3.5592 PRESSURE: 4871800 309.757 -109.699 223.997 -109.7 16.9599 -230.033 223.997 -230.032 350.663 GPRESSURE: 4871800 393.374 75.1332 188.665 -161.691 64.3772 -260.919 232.259 -167.715 289.767 PRESSAVG: 4871800 21.7736 -35.0781 44.7676 -35.078 -5.61326 -17.9853 44.7676 -17.9852 6.16215 GPRESSAVG: 4871800 23.4978 -32.4767 45.6571 -37.6533 -6.83092 -17.304 43.1545 -17.8701 5.63404 TIMING: 4871800 CPU: 15408.1, 0.00318607/step Wall: 15408.1, 0.00318607/step, 0.113459 hours remaining, 235.660156 MB of memory in use. ENERGY: 4871800 4010.0837 20519.0084 14540.6025 241.9399 -203449.4554 2723.0903 0.0000 0.0000 52016.3254 -109398.4053 298.9385 -161414.7306 -109040.2161 298.7911 225.7931 249.1728 760468.7886 7.4408 7.4336 PRESSURE: 4872000 114.104 -93.0821 -240.418 -93.0817 -92.8258 195.201 -240.418 195.201 79.6201 GPRESSURE: 4872000 194.522 -46.2187 -233.5 -34.6311 -84.7819 281.113 -73.9213 149.062 65.7308 PRESSAVG: 4872000 49.4504 -22.3507 -3.07892 -22.3507 -42.8688 18.7975 -3.07886 18.7975 -13.3998 GPRESSAVG: 4872000 48.3948 -23.9076 -4.19545 -20.3645 -40.7973 18.4131 -1.05685 20.1872 -14.7434 TIMING: 4872000 CPU: 15408.7, 0.0031613/step Wall: 15408.7, 0.0031613/step, 0.112402 hours remaining, 235.660156 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: 4872000 3981.0509 20324.4353 14524.3446 245.8859 -203481.0585 2786.9052 0.0000 0.0000 52190.4767 -109427.9600 299.9394 -161618.4367 -109063.2687 299.2972 33.6327 58.4904 761914.2759 -2.2727 -2.3820 PRESSURE: 4872200 44.0129 40.9414 28.5084 40.9421 354.452 -238.988 28.5086 -238.986 27.2425 GPRESSURE: 4872200 203.174 8.25448 8.12376 5.53116 317.954 -193.756 31.017 -274.176 -9.16415 PRESSAVG: 4872200 32.1049 -10.7412 -39.9431 -10.7413 -11.5194 -31.7972 -39.9431 -31.7972 1.91556 GPRESSAVG: 4872200 32.3374 -11.7637 -38.0575 -11.028 -12.791 -32.7371 -39.2263 -33.1253 3.01736 TIMING: 4872200 CPU: 15409.3, 0.00318037/step Wall: 15409.3, 0.00318037/step, 0.112903 hours remaining, 235.660156 MB of memory in use. ENERGY: 4872200 3976.3601 20468.2953 14436.7145 232.6159 -203367.7928 2776.8211 0.0000 0.0000 51936.2898 -109540.6962 298.4786 -161476.9860 -109194.7338 299.2463 141.9024 170.6545 761894.5686 7.5004 7.5212 LDB: ============= START OF LOAD BALANCING ============== 15421.9 LDB: ============== END OF LOAD BALANCING =============== 15421.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15421.9 LDB: ============= START OF LOAD BALANCING ============== 15422.2 LDB: Largest compute 7026 load 0.037914 is 19.4% of average load 0.195565 LDB: Average compute 0.004385 is 2.2% of average load 0.195565 LDB: TIME 15422.2 LOAD: AVG 0.195565 MAX 0.217861 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.191 MB LDB: TIME 15422.2 LOAD: AVG 0.195565 MAX 0.217861 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: TIME 15422.2 LOAD: AVG 0.195565 MAX 0.217861 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.395 MB LDB: ============== END OF LOAD BALANCING =============== 15422.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15422.2 PRESSURE: 4872400 -45.803 -481.933 -95.1958 -481.933 -195.735 152.572 -95.1958 152.572 100.221 GPRESSURE: 4872400 45.6735 -472.936 -38.4161 -344.37 -161.349 109.238 9.5316 -33.9447 48.6628 PRESSAVG: 4872400 55.2298 17.5478 -19.5969 17.5477 -25.2751 -24.9714 -19.597 -24.9714 -23.1411 GPRESSAVG: 4872400 54.2773 16.2008 -19.2042 19.9843 -24.9642 -25.746 -19.9175 -25.2653 -22.9246 TIMING: 4872400 CPU: 15410, 0.00324194/step Wall: 15410, 0.00324194/step, 0.114909 hours remaining, 237.195312 MB of memory in use. ENERGY: 4872400 3972.3493 20426.1534 14534.5590 245.1486 -203374.3193 2707.3016 0.0000 0.0000 51759.4844 -109729.3230 297.4625 -161488.8074 -109376.1506 298.5534 -47.1055 -22.3376 760919.4845 2.2712 2.1295 PRESSURE: 4872600 -3.93222 97.0059 89.9326 97.0058 -390.429 -90.2367 89.9321 -90.2367 -53.68 GPRESSURE: 4872600 -165.415 -17.4876 67.0162 153.991 -280.962 -29.4697 96.4433 -3.82555 78.4642 PRESSAVG: 4872600 111.021 34.4235 21.1523 34.4234 -94.8278 40.0051 21.1523 40.0052 22.7371 GPRESSAVG: 4872600 110.856 35.7734 21.1512 32.8777 -95.0754 41.1343 20.1088 40.1845 23.1102 TIMING: 4872600 CPU: 15410.6, 0.00317647/step Wall: 15410.6, 0.00317647/step, 0.112412 hours remaining, 237.195312 MB of memory in use. ENERGY: 4872600 3995.4648 20326.1311 14477.6657 245.7349 -203519.4779 2588.2026 0.0000 0.0000 52083.9152 -109802.3635 299.3270 -161886.2788 -109440.7568 298.0267 -149.3470 -122.6375 762338.7504 12.9769 12.9636 PRESSURE: 4872800 -333.042 90.0042 -76.7884 90.0049 -228.212 -39.4773 -76.7889 -39.4773 -569.289 GPRESSURE: 4872800 -149.659 -3.18964 -124.036 13.7312 -286.509 -87.26 -104.967 72.5532 -605.963 PRESSAVG: 4872800 40.2994 -1.29832 11.5919 -1.29831 -4.42481 -16.6854 11.5919 -16.6854 -14.3809 GPRESSAVG: 4872800 40.2331 -1.17213 10.8777 -1.63797 -3.34149 -15.4953 11.4184 -15.4354 -15.5047 TIMING: 4872800 CPU: 15411.3, 0.00317595/step Wall: 15411.3, 0.00317595/step, 0.112217 hours remaining, 237.195312 MB of memory in use. ENERGY: 4872800 3878.7379 20287.4129 14537.0446 268.9487 -203281.7607 2582.5803 0.0000 0.0000 51792.7798 -109934.2564 297.6538 -161727.0362 -109573.6902 297.7301 -376.8476 -347.3771 761829.5093 7.1645 7.1290 PRESSURE: 4873000 -319.814 99.3081 131.125 99.3074 -349.647 83.9758 131.125 83.9761 47.5731 GPRESSURE: 4873000 -342.223 98.1297 159.498 -37.2608 -227.987 42.6237 151.353 141.931 51.9948 PRESSAVG: 4873000 -27.8306 -19.3675 12.2306 -19.3675 35.1746 50.3456 12.2306 50.3457 6.57439 GPRESSAVG: 4873000 -27.3589 -19.5763 13.2217 -20.1639 35.7891 49.5497 11.3882 48.2922 5.7518 TIMING: 4873000 CPU: 15411.9, 0.00316793/step Wall: 15411.9, 0.00316793/step, 0.111758 hours remaining, 237.195312 MB of memory in use. ENERGY: 4873000 3944.3300 20350.8962 14490.3534 253.1720 -203740.6288 2694.2162 0.0000 0.0000 51954.9156 -110052.7456 298.5856 -162007.6612 -109698.8724 297.8538 -207.2959 -172.7386 761615.5947 4.6394 4.7274 PRESSURE: 4873200 -128.613 60.6083 -146.273 60.6088 84.9299 65.3235 -146.274 65.3241 -122.936 GPRESSURE: 4873200 -106.343 79.5337 -160.933 85.5652 180.506 130.516 -52.6651 158.104 -133.505 PRESSAVG: 4873200 61.7213 36.2561 60.6742 36.2561 -32.0978 38.7832 60.6741 38.7832 7.2671 GPRESSAVG: 4873200 61.9731 36.3715 60.1878 36.974 -34.3136 38.1295 61.4722 39.2928 9.14689 TIMING: 4873200 CPU: 15412.5, 0.00317786/step Wall: 15412.5, 0.00317786/step, 0.111931 hours remaining, 237.320312 MB of memory in use. ENERGY: 4873200 3996.0920 20386.8246 14502.1328 247.1247 -203429.3017 2688.7166 0.0000 0.0000 51721.4574 -109886.9535 297.2439 -161608.4109 -109524.5121 298.2700 -55.5395 -19.7807 761285.0111 12.2969 12.2688 PRESSURE: 4873400 54.0471 40.1347 -110.866 40.1343 64.508 96.2844 -110.865 96.2845 111.943 GPRESSURE: 4873400 103.053 27.8748 -110.519 99.8755 -26.2093 109.423 118.156 61.1848 234.859 PRESSAVG: 4873400 -34.742 -30.0914 43.6511 -30.0915 13.7735 7.90877 43.6511 7.90877 -11.1272 GPRESSAVG: 4873400 -33.9531 -28.8898 43.8278 -31.0742 13.2322 9.47577 43.8846 7.56672 -11.2864 TIMING: 4873400 CPU: 15413.2, 0.00316163/step Wall: 15413.2, 0.00316163/step, 0.111184 hours remaining, 237.320312 MB of memory in use. ENERGY: 4873400 3977.8399 20481.9619 14503.5163 251.4872 -203645.6234 2773.1528 0.0000 0.0000 51712.4998 -109945.1655 297.1924 -161657.6653 -109589.6445 298.4249 76.8326 103.9008 760794.4838 -10.6986 -10.6691 PRESSURE: 4873600 -12.4894 -294.151 150.648 -294.15 -217.076 189.58 150.648 189.579 -4.20485 GPRESSURE: 4873600 -16.0211 -244.534 132.581 -268.101 -133.37 174.889 115.943 275.168 -1.60336 PRESSAVG: 4873600 -27.7845 -17.6452 -50.7646 -17.6452 -25.9887 9.91725 -50.7646 9.91718 -12.2003 GPRESSAVG: 4873600 -29.1231 -18.4377 -52.1199 -17.185 -25.0968 9.32955 -49.8997 10.4169 -11.6035 TIMING: 4873600 CPU: 15413.8, 0.00316713/step Wall: 15413.8, 0.00316713/step, 0.111202 hours remaining, 237.562500 MB of memory in use. ENERGY: 4873600 3922.3016 20347.6377 14493.8103 241.6095 -203140.0940 2524.1355 0.0000 0.0000 51788.8743 -109821.7252 297.6314 -161610.5995 -109452.8151 297.8500 -77.9234 -50.3316 762799.4603 -21.9911 -21.9411 PRESSURE: 4873800 -310.067 26.766 -87.8835 26.7664 33.4748 104.398 -87.8828 104.397 -5.86692 GPRESSURE: 4873800 -250.043 -14.5847 -24.1146 179.413 14.3387 173.977 -157.418 40.9513 34.5312 PRESSAVG: 4873800 7.89355 -7.77177 -17.3594 -7.77176 -4.21169 35.0366 -17.3594 35.0366 -8.1691 GPRESSAVG: 4873800 8.21489 -8.36175 -16.1459 -7.39537 -3.66976 35.0915 -18.3716 35.1642 -9.01273 TIMING: 4873800 CPU: 15414.4, 0.0031695/step Wall: 15414.4, 0.0031695/step, 0.111109 hours remaining, 237.644531 MB of memory in use. ENERGY: 4873800 3943.5049 20275.2053 14534.5278 246.0909 -202906.0323 2424.9772 0.0000 0.0000 51685.3484 -109796.3777 297.0364 -161481.7262 -109441.0525 297.9281 -94.1530 -67.0578 763928.3278 -1.4957 -1.4892 PRESSURE: 4874000 -194.93 -161.652 -131.246 -161.651 152.224 30.6386 -131.246 30.6381 125.804 GPRESSURE: 4874000 -110.711 -118.43 -49.1305 -22.4019 163.99 54.8058 -106.415 18.0946 128.16 PRESSAVG: 4874000 22.6157 -75.6272 -27.448 -75.6272 -22.8534 7.61579 -27.448 7.61581 5.40016 GPRESSAVG: 4874000 22.8141 -75.9689 -26.8999 -74.7539 -23.789 6.10518 -26.7652 7.11818 5.42128 TIMING: 4874000 CPU: 15415.1, 0.0031746/step Wall: 15415.1, 0.0031746/step, 0.111111 hours remaining, 237.644531 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: 4874000 3863.8161 20340.6345 14453.8838 245.8147 -203429.1585 2647.4038 0.0000 0.0000 52412.7627 -109464.8429 301.2169 -161877.6056 -109094.1827 298.5486 27.6991 60.4799 763034.8556 1.7208 1.4821 PRESSURE: 4874200 236.27 10.7682 23.1566 10.7672 253.546 -247.207 23.1572 -247.206 1.75082 GPRESSURE: 4874200 224.425 20.2568 31.0306 62.3674 268.602 -281.53 -21.5537 -213.607 109.084 PRESSAVG: 4874200 -39.5672 -26.8243 12.5211 -26.8243 66.3312 -3.89963 12.5211 -3.8997 -15.0747 GPRESSAVG: 4874200 -40.2181 -27.9044 11.924 -29.5734 66.9539 -5.03779 11.7175 -2.21778 -14.5704 TIMING: 4874200 CPU: 15415.7, 0.00317906/step Wall: 15415.7, 0.00317906/step, 0.11109 hours remaining, 237.644531 MB of memory in use. ENERGY: 4874200 3961.4605 20355.5961 14562.5454 259.3877 -203562.5180 2851.3675 0.0000 0.0000 52046.5645 -109525.5964 299.1123 -161572.1609 -109171.0337 298.5302 163.8555 200.7040 761496.4081 3.8964 4.0551 PRESSURE: 4874400 12.1323 -87.9928 -90.8267 -87.9932 -87.4157 -106.128 -90.8265 -106.127 -31.3567 GPRESSURE: 4874400 84.3332 -1.3848 -133.397 -12.0268 -54.6427 -152.534 -118.111 -72.1555 -26.6534 PRESSAVG: 4874400 19.7262 -36.1963 -57.8617 -36.1963 24.1767 37.6685 -57.8616 37.6685 9.46263 GPRESSAVG: 4874400 20.6923 -33.1586 -58.2469 -34.2126 23.502 40.5183 -58.6522 37.4411 8.31368 TIMING: 4874400 CPU: 15416.3, 0.00318484/step Wall: 15416.3, 0.00318484/step, 0.111115 hours remaining, 237.644531 MB of memory in use. ENERGY: 4874400 3960.6762 20304.4500 14523.4878 239.0778 -203242.5308 2566.5816 0.0000 0.0000 52204.5634 -109443.6940 300.0203 -161648.2574 -109080.4519 298.7297 -35.5467 1.0124 760764.7942 17.7885 17.5027 PRESSURE: 4874600 -103.697 -19.1902 -52.3766 -19.1906 18.8771 0.0338736 -52.377 0.0348705 -97.454 GPRESSURE: 4874600 -124.067 -136.584 19.827 84.8547 102.508 5.67658 -111.559 77.2317 -78.6255 PRESSAVG: 4874600 32.7273 23.463 -1.18668 23.463 16.6333 -18.4223 -1.18665 -18.4223 -8.45653 GPRESSAVG: 4874600 32.3143 20.8578 -1.60277 24.1628 17.3037 -19.8483 1.74469 -20.0579 -8.36632 TIMING: 4874600 CPU: 15417, 0.00319162/step Wall: 15417, 0.00319162/step, 0.111175 hours remaining, 237.644531 MB of memory in use. ENERGY: 4874600 3879.0722 20522.4852 14489.1222 245.3763 -203544.0737 2703.2481 0.0000 0.0000 52098.8273 -109605.9424 299.4127 -161704.7697 -109247.8015 298.9357 -60.7579 -33.3948 762397.3146 13.6347 13.7506 PRESSURE: 4874800 51.1637 -188.652 -123.178 -188.652 227.896 -178.841 -123.179 -178.842 51.781 GPRESSURE: 4874800 10.1513 -144.479 -202.171 -132.392 243.541 -185.775 5.0455 -150.77 171.302 PRESSAVG: 4874800 -74.9137 -53.937 -31.0536 -53.937 62.3695 2.71507 -31.0536 2.71505 10.8046 GPRESSAVG: 4874800 -75.3217 -55.456 -30.9224 -54.1859 63.1622 1.96488 -33.8922 4.6476 11.1402 TIMING: 4874800 CPU: 15417.6, 0.00318962/step Wall: 15417.6, 0.00318962/step, 0.110928 hours remaining, 237.644531 MB of memory in use. ENERGY: 4874800 3995.9307 20376.9364 14524.6899 245.8089 -203439.7426 2643.0334 0.0000 0.0000 51996.8251 -109656.5181 298.8265 -161653.3432 -109285.8715 298.3407 110.2802 141.6646 761715.0871 -0.5799 -0.3398 PRESSURE: 4875000 -170.397 -173.477 76.5581 -173.476 -29.6323 8.08852 76.5579 8.08826 398.144 GPRESSURE: 4875000 -36.5465 -157.378 123.16 -148.604 -5.70428 53.6939 34.8316 51.9428 330.159 PRESSAVG: 4875000 18.0325 -31.7269 -17.2933 -31.727 -14.3712 -49.2165 -17.2934 -49.2165 1.76775 GPRESSAVG: 4875000 18.4447 -31.0609 -17.2133 -31.9387 -16.0525 -48.0624 -17.0612 -50.5485 2.39125 TIMING: 4875000 CPU: 15418.2, 0.00317262/step Wall: 15418.2, 0.00317262/step, 0.110161 hours remaining, 237.644531 MB of memory in use. ENERGY: 4875000 4033.2452 20419.8742 14481.2315 245.9069 -203346.8094 2505.5012 0.0000 0.0000 52247.6480 -109413.4025 300.2680 -161661.0505 -109044.1398 299.1351 66.0383 95.9692 761195.3908 1.8097 1.5945 PRESSURE: 4875200 -585.086 -8.23239 117.101 -8.23225 -130.599 45.9466 117.102 45.9472 -309.097 GPRESSURE: 4875200 -582.514 -45.9789 39.14 -91.8391 -126.222 66.5934 131.444 51.4607 -231.632 PRESSAVG: 4875200 1.48223 -24.7909 23.2433 -24.7909 3.52109 -3.24338 23.2434 -3.24344 3.05978 GPRESSAVG: 4875200 1.32373 -24.3291 21.9248 -24.9528 4.30078 -4.13391 26.9461 -1.6749 2.19747 TIMING: 4875200 CPU: 15418.9, 0.00317729/step Wall: 15418.9, 0.00317729/step, 0.110146 hours remaining, 237.644531 MB of memory in use. ENERGY: 4875200 4056.4889 20518.6332 14561.8982 258.1722 -203242.2352 2311.2609 0.0000 0.0000 52092.1839 -109443.5979 299.3745 -161535.7819 -109077.3307 299.6370 -341.5940 -313.4558 760911.6506 2.6877 2.6073 PRESSURE: 4875400 15.0509 -21.2582 252.771 -21.2587 49.7554 11.1935 252.771 11.1939 -81.2935 GPRESSURE: 4875400 70.1699 -67.8251 275.057 -43.1722 13.4345 5.87591 125.489 -55.3915 -15.6138 PRESSAVG: 4875400 11.967 -71.3582 40.897 -71.3582 -22.9737 17.0847 40.8971 17.0847 -14.9153 GPRESSAVG: 4875400 11.4355 -72.2002 42.595 -69.5771 -22.7286 19.5225 38.8423 16.3913 -14.4907 TIMING: 4875400 CPU: 15419.5, 0.00318061/step Wall: 15419.5, 0.00318061/step, 0.110084 hours remaining, 237.644531 MB of memory in use. ENERGY: 4875400 4062.0375 20508.5214 14481.1467 272.0483 -203913.7721 2916.1983 0.0000 0.0000 52320.4268 -109353.3931 300.6862 -161673.8199 -108995.1229 299.7359 -5.4957 22.6636 759954.4449 -8.6407 -8.5946 PRESSURE: 4875600 -246.253 -102.454 -11.7601 -102.455 -7.63419 -120.991 -11.7592 -120.99 -79.5407 GPRESSURE: 4875600 -114.376 -60.6652 110.549 -113.205 9.20499 -213.568 -21.837 -179.707 -145.935 PRESSAVG: 4875600 16.5973 -31.3505 36.1459 -31.3505 7.92713 -22.5114 36.146 -22.5113 -0.504948 GPRESSAVG: 4875600 18.8612 -29.31 36.2087 -32.7084 4.85867 -23.8593 35.1201 -23.8339 0.697989 TIMING: 4875600 CPU: 15420.1, 0.00316796/step Wall: 15420.1, 0.00316796/step, 0.109471 hours remaining, 237.644531 MB of memory in use. ENERGY: 4875600 4018.7484 20590.8404 14466.2282 244.8430 -203426.3511 2539.1124 0.0000 0.0000 51921.2126 -109645.3660 298.3919 -161566.5787 -109287.6453 299.4477 -111.1425 -83.7018 760504.9425 8.0065 8.1393 PRESSURE: 4875800 125.76 -122.901 0.689605 -122.901 -162.757 -145.601 0.690121 -145.601 218.251 GPRESSURE: 4875800 36.8617 -64.0758 -12.3913 -99.2059 -26.2675 -163.719 60.2143 -244.316 235.119 PRESSAVG: 4875800 -10.9418 -78.9507 36.5852 -78.9507 41.812 18.5502 36.5852 18.5502 9.76158 GPRESSAVG: 4875800 -13.1262 -79.8963 38.0938 -79.6186 44.2265 18.1115 37.1601 20.5281 9.36122 TIMING: 4875800 CPU: 15420.8, 0.00317608/step Wall: 15420.8, 0.00317608/step, 0.109575 hours remaining, 237.644531 MB of memory in use. ENERGY: 4875800 3909.6188 20547.6513 14412.9204 262.1547 -203874.1347 2896.9067 0.0000 0.0000 52176.2780 -109668.6049 299.8578 -161844.8829 -109316.9247 298.8696 60.4180 81.9043 759486.7315 13.5439 13.4872 PRESSURE: 4876000 -125.905 -83.6236 -16.0503 -83.6236 281.669 -134.869 -16.0511 -134.868 188.11 GPRESSURE: 4876000 -47.1878 -160.672 -108.624 -95.7993 248.014 -38.8229 67.8745 -127.391 257.693 PRESSAVG: 4876000 -22.7085 -53.8288 33.5201 -53.8288 20.1759 10.021 33.5201 10.0211 -2.31132 GPRESSAVG: 4876000 -21.3701 -53.6037 31.5568 -54.8646 21.2843 9.24901 35.4177 10.6489 -3.60436 TIMING: 4876000 CPU: 15421.4, 0.0031742/step Wall: 15421.4, 0.0031742/step, 0.109334 hours remaining, 237.644531 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: 4876000 3910.7778 20406.8855 14518.7469 243.0338 -203754.2746 2917.1409 0.0000 0.0000 52269.6082 -109488.0814 300.3942 -161757.6896 -109126.6354 300.0322 114.6244 152.8398 760224.9961 -1.6146 -1.2300 PRESSURE: 4876200 274.706 -126.652 280.22 -126.652 -98.3368 29.3674 280.219 29.3671 433.29 GPRESSURE: 4876200 276.462 -97.5053 265.819 -54.2109 -69.5689 14.4272 293.55 118.617 486.656 PRESSAVG: 4876200 -74.885 -12.9983 38.0865 -12.9982 60.4907 36.6707 38.0865 36.6707 -1.98402 GPRESSAVG: 4876200 -75.1024 -12.3867 38.8544 -11.0085 59.6501 37.477 36.0439 34.19 -1.63607 TIMING: 4876200 CPU: 15422.1, 0.00316709/step Wall: 15422.1, 0.00316709/step, 0.108913 hours remaining, 237.644531 MB of memory in use. ENERGY: 4876200 3980.2199 20348.6866 14430.2956 253.1030 -203681.1103 2851.6970 0.0000 0.0000 51979.6100 -109837.4982 298.7275 -161817.1082 -109474.3468 299.1757 203.2196 231.1832 759885.7527 -5.4594 -5.6961 LDB: ============= START OF LOAD BALANCING ============== 15434.6 LDB: ============== END OF LOAD BALANCING =============== 15434.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15434.6 LDB: ============= START OF LOAD BALANCING ============== 15434.9 LDB: Largest compute 7026 load 0.040311 is 20.6% of average load 0.195588 LDB: Average compute 0.004394 is 2.2% of average load 0.195588 LDB: TIME 15434.9 LOAD: AVG 0.195588 MAX 0.215606 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.188 MB LDB: TIME 15434.9 LOAD: AVG 0.195588 MAX 0.215606 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: TIME 15434.9 LOAD: AVG 0.195588 MAX 0.215606 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.258 MB LDB: ============== END OF LOAD BALANCING =============== 15434.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15434.9 PRESSURE: 4876400 -7.47205 -70.4906 -71.3134 -70.4914 -266.503 -184.071 -71.314 -184.071 -145.469 GPRESSURE: 4876400 42.515 -97.6912 60.2152 -130.74 -276.12 -143.452 -56.4593 -118.004 -103.84 PRESSAVG: 4876400 -9.98835 -42.5947 9.24225 -42.5947 4.07567 22.4336 9.24224 22.4335 1.21319 GPRESSAVG: 4876400 -11.2723 -40.9665 8.88369 -43.4849 4.5993 20.8382 8.635 25.195 2.14941 TIMING: 4876400 CPU: 15422.7, 0.0032609/step Wall: 15422.7, 0.0032609/step, 0.111957 hours remaining, 234.761719 MB of memory in use. ENERGY: 4876400 4021.8420 20532.3744 14447.6784 253.0127 -203358.0703 2579.7153 0.0000 0.0000 51853.3868 -109670.0608 298.0021 -161523.4476 -109303.9044 298.8725 -139.8146 -112.4816 760507.1362 -1.5665 -1.5079 PRESSURE: 4876600 110.441 128.941 -260.117 128.94 -5.61052 110.598 -260.117 110.599 53.2211 GPRESSURE: 4876600 165.868 126.963 -274.339 90.1868 24.2798 206.965 -279.287 67.3305 67.2981 PRESSAVG: 4876600 29.7169 12.6084 33.0834 12.6084 27.0839 7.5781 33.0833 7.57811 -15.0631 GPRESSAVG: 4876600 32.1777 11.4353 31.431 13.1699 26.4076 10.4502 35.1415 5.19284 -16.8005 TIMING: 4876600 CPU: 15423.3, 0.00320033/step Wall: 15423.3, 0.00320033/step, 0.1097 hours remaining, 234.761719 MB of memory in use. ENERGY: 4876600 3981.4152 20479.5650 14556.7051 235.7159 -203738.5813 2675.5418 0.0000 0.0000 51933.9043 -109875.7340 298.4649 -161809.6383 -109514.4400 298.5599 52.6840 85.8153 759343.5748 13.9126 13.9283 PRESSURE: 4876800 -91.0939 -11.0036 7.63871 -11.0023 106.488 -60.9366 7.63918 -60.9358 203.744 GPRESSURE: 4876800 48.5116 -56.8109 2.69397 -20.6484 75.7134 -103.891 -2.42646 -46.5998 195.277 PRESSAVG: 4876800 -26.8924 -17.1985 31.4326 -17.1986 14.9996 19.26 31.4325 19.26 -15.9837 GPRESSAVG: 4876800 -27.7973 -16.3915 32.2916 -19.3464 15.1057 19.2812 32.3758 18.7833 -16.2956 TIMING: 4876800 CPU: 15424, 0.00317893/step Wall: 15424, 0.00317893/step, 0.10879 hours remaining, 234.761719 MB of memory in use. ENERGY: 4876800 4007.3202 20497.9143 14431.8157 254.5709 -204080.5676 2863.5944 0.0000 0.0000 52332.0757 -109693.2765 300.7532 -162025.3522 -109328.9662 298.7282 73.0461 106.5006 759714.4478 -9.2921 -9.6624 PRESSURE: 4877000 -111.157 -143.029 128.655 -143.03 -1.38625 348.238 128.654 348.237 345.667 GPRESSURE: 4877000 -41.0504 -122.347 96.782 -156.113 58.1096 289.076 183.061 416.729 305.926 PRESSAVG: 4877000 4.81416 -17.2307 -7.15694 -17.2308 38.4223 44.1157 -7.15696 44.1158 -0.635422 GPRESSAVG: 4877000 4.32566 -18.9654 -9.14443 -14.9982 37.1069 43.1347 -7.66408 44.6438 1.32122 TIMING: 4877000 CPU: 15424.6, 0.00317913/step Wall: 15424.6, 0.00317913/step, 0.10862 hours remaining, 234.761719 MB of memory in use. ENERGY: 4877000 3939.1556 20624.3579 14462.1399 241.3925 -203730.0937 2792.9019 0.0000 0.0000 52028.0220 -109642.1239 299.0058 -161670.1458 -109277.5133 299.2291 77.7079 107.6616 759690.1423 14.2003 14.2513 PRESSURE: 4877200 -143.834 15.7113 -19.5744 15.711 100.884 198.571 -19.5731 198.572 -103.868 GPRESSURE: 4877200 -55.7863 25.7091 -35.2075 -33.0502 124.526 230.877 -70.0218 217.985 -132.79 PRESSAVG: 4877200 -16.593 0.0683459 23.2207 0.0683941 34.3297 0.357653 23.2208 0.357626 -17.745 GPRESSAVG: 4877200 -17.2558 1.13914 24.9337 1.119 35.7694 0.0416279 23.3137 0.715036 -18.8526 TIMING: 4877200 CPU: 15425.3, 0.00318246/step Wall: 15425.3, 0.00318246/step, 0.108557 hours remaining, 234.761719 MB of memory in use. ENERGY: 4877200 4035.1793 20542.3799 14507.0668 239.2211 -203382.6085 2437.4257 0.0000 0.0000 52096.0464 -109525.2893 299.3967 -161621.3357 -109163.9031 298.6821 -48.9394 -21.3503 759717.7979 -0.0028 -0.1130 PRESSURE: 4877400 -123.518 -181.278 -229.641 -181.279 166.64 -34.2998 -229.64 -34.3 370.993 GPRESSURE: 4877400 -70.8214 -115.325 -158.531 -89.7235 223.255 8.62765 -319.038 12.3756 337.559 PRESSAVG: 4877400 13.4324 6.05362 -31.923 6.05358 -53.0286 27.7668 -31.923 27.7668 22.4763 GPRESSAVG: 4877400 14.132 6.52366 -31.3543 3.53909 -54.2513 26.3135 -34.2427 28.8992 22.6602 TIMING: 4877400 CPU: 15425.9, 0.00320558/step Wall: 15425.9, 0.00320558/step, 0.109168 hours remaining, 234.761719 MB of memory in use. ENERGY: 4877400 3957.3691 20657.9700 14524.2367 279.9433 -203454.6660 2775.9078 0.0000 0.0000 51790.3802 -109468.8588 297.6400 -161259.2390 -109105.2217 299.2456 138.0385 163.3309 760770.3249 -5.7066 -5.8197 PRESSURE: 4877600 -370.728 -20.265 -26.7605 -20.2646 163.958 -60.5285 -26.7612 -60.5269 46.553 GPRESSURE: 4877600 -244.3 63.8089 -58.8845 -123.696 101.912 -139.215 109.339 8.27526 70.7102 PRESSAVG: 4877600 71.7687 -18.7556 -27.9111 -18.7555 -43.7168 -37.7292 -27.911 -37.7292 18.4637 GPRESSAVG: 4877600 71.6668 -17.583 -27.8944 -17.1372 -42.8975 -36.6845 -25.837 -37.2812 18.0871 TIMING: 4877600 CPU: 15426.5, 0.00319693/step Wall: 15426.5, 0.00319693/step, 0.108696 hours remaining, 234.761719 MB of memory in use. ENERGY: 4877600 4107.2266 20563.1263 14484.3339 245.4614 -203270.3021 2436.8031 0.0000 0.0000 52152.5639 -109280.7869 299.7215 -161433.3508 -108914.0294 299.5499 -53.4058 -23.8927 762905.0973 15.5052 15.6188 PRESSURE: 4877800 -212.714 -132.749 56.9783 -132.75 -103.529 -84.295 56.9776 -84.2948 -309.194 GPRESSURE: 4877800 -134.831 -73.1232 68.7477 -47.4241 -119.001 -28.4798 50.7246 -80.5074 -319.705 PRESSAVG: 4877800 17.6225 -37.8242 20.3043 -37.8241 -11.6856 17.9477 20.3044 17.9477 13.4051 GPRESSAVG: 4877800 17.9923 -38.9662 20.0928 -36.9178 -12.9956 17.6458 18.7896 16.7443 14.3451 TIMING: 4877800 CPU: 15427.2, 0.003188/step Wall: 15427.2, 0.003188/step, 0.108215 hours remaining, 234.761719 MB of memory in use. ENERGY: 4877800 4038.2820 20547.4283 14519.3424 249.2113 -203747.6817 2728.6497 0.0000 0.0000 52185.2426 -109479.5255 299.9093 -161664.7681 -109111.2409 299.5970 -208.4794 -191.1791 761613.7853 6.4473 6.4473 PRESSURE: 4878000 -6.76271 30.5098 108.486 30.5093 -149.68 -6.61356 108.486 -6.61413 193.398 GPRESSURE: 4878000 72.9175 31.7298 126.858 36.9419 -214.46 -40.7955 16.5235 -38.9282 249.384 PRESSAVG: 4878000 -26.5964 28.6365 -36.2541 28.6365 40.5187 -23.4487 -36.2541 -23.4487 22.3385 GPRESSAVG: 4878000 -26.1437 30.1247 -37.0578 25.3539 40.9112 -23.6199 -35.7215 -23.3386 22.0833 TIMING: 4878000 CPU: 15427.8, 0.0031724/step Wall: 15427.8, 0.0031724/step, 0.107509 hours remaining, 234.761719 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: 4878000 4002.0249 20590.8086 14449.7140 245.9369 -203761.2881 2703.1960 0.0000 0.0000 52235.4470 -109534.1607 300.1978 -161769.6077 -109164.9183 299.3300 12.3184 35.9473 761931.6323 12.0869 12.2836 PRESSURE: 4878200 1.26157 -197.751 180.137 -197.751 26.1059 -1.24985 180.139 -1.24999 235.948 GPRESSURE: 4878200 19.1193 -129.718 273.301 -202.247 126.677 62.775 -13.5581 79.2732 199.613 PRESSAVG: 4878200 -54.2533 -16.1144 -6.55923 -16.1145 35.3204 -7.78667 -6.55921 -7.78668 17.8902 GPRESSAVG: 4878200 -54.7226 -17.1119 -4.87457 -13.826 35.5526 -5.91699 -7.30893 -11.5458 18.1354 TIMING: 4878200 CPU: 15428.4, 0.00317855/step Wall: 15428.4, 0.00317855/step, 0.107541 hours remaining, 234.761719 MB of memory in use. ENERGY: 4878200 3878.8235 20549.2158 14466.4123 257.1746 -203654.4795 2757.3243 0.0000 0.0000 52175.5052 -109570.0238 299.8533 -161745.5291 -109188.4618 299.3856 87.7718 115.1367 761758.0602 -0.3476 -0.3448 PRESSURE: 4878400 -535.306 -21.9932 -85.1768 -21.9937 -486.537 -205.23 -85.1779 -205.23 9.3698 GPRESSURE: 4878400 -438.165 32.7798 -32.2503 -53.3276 -477.87 -165.685 -99.6584 -61.0539 -2.29834 PRESSAVG: 4878400 -6.02423 6.53923 -0.72519 6.53921 33.0577 31.6223 -0.725169 31.6223 -11.9717 GPRESSAVG: 4878400 -5.612 4.92447 -1.5595 7.03524 33.2592 29.7606 -1.70289 36.1444 -12.5905 TIMING: 4878400 CPU: 15429.1, 0.0031719/step Wall: 15429.1, 0.0031719/step, 0.10714 hours remaining, 234.761719 MB of memory in use. ENERGY: 4878400 4018.1978 20706.5402 14484.1148 236.5901 -203707.3366 2453.7229 0.0000 0.0000 51935.7423 -109872.4285 298.4754 -161808.1708 -109511.8480 298.7008 -337.4913 -306.1110 759915.0505 5.0206 5.0189 PRESSURE: 4878600 -102.229 -15.0836 112.262 -15.0829 222.319 -9.67361 112.262 -9.67321 -367.5 GPRESSURE: 4878600 -44.6353 -58.2756 -6.3797 52.8171 218.171 89.3329 336.306 -123.213 -352.858 PRESSAVG: 4878600 21.2564 20.8978 43.1813 20.8977 53.7376 -7.86988 43.1813 -7.86981 19.4188 GPRESSAVG: 4878600 21.0814 23.2916 42.2011 20.7479 53.2876 -6.97362 44.305 -8.96301 20.1728 TIMING: 4878600 CPU: 15429.7, 0.00318127/step Wall: 15429.7, 0.00318127/step, 0.107279 hours remaining, 234.761719 MB of memory in use. ENERGY: 4878600 3986.1464 20594.7060 14473.0565 259.5878 -203969.5959 2846.3449 0.0000 0.0000 52075.6284 -109734.1259 299.2794 -161809.7542 -109367.7962 298.9223 -82.4699 -59.7740 760153.6191 31.4709 31.5139 PRESSURE: 4878800 -291.712 463.329 199.331 463.328 94.3906 -351.244 199.332 -351.244 393.722 GPRESSURE: 4878800 -252.321 429.318 239.461 311.719 77.6491 -285.53 126.34 -221.307 471.185 PRESSAVG: 4878800 13.6591 29.4046 -24.6954 29.4046 12.9011 14.6042 -24.6953 14.6043 -3.85949 GPRESSAVG: 4878800 14.7594 28.0327 -25.0763 27.7297 12.4731 13.21 -23.7119 14.2522 -4.44326 TIMING: 4878800 CPU: 15430.4, 0.00318985/step Wall: 15430.4, 0.00318985/step, 0.107392 hours remaining, 234.761719 MB of memory in use. ENERGY: 4878800 3928.8877 20495.3519 14414.2103 250.6674 -202937.2658 2149.2646 0.0000 0.0000 52020.9018 -109677.9822 298.9648 -161698.8840 -109314.9925 298.7699 65.4667 98.8377 760437.0714 7.5669 7.5964 PRESSURE: 4879000 -401.692 148.668 -116.452 148.668 -287.789 68.7355 -116.452 68.7353 -289.764 GPRESSURE: 4879000 -334.619 128.952 -80.3144 155.757 -169.709 45.858 -126.633 -15.9961 -386.504 PRESSAVG: 4879000 36.7693 46.698 -12.3238 46.698 -10.6529 -17.2294 -12.3238 -17.2295 -15.4855 GPRESSAVG: 4879000 34.4463 45.4549 -10.5653 46.6723 -9.72894 -16.5863 -13.5659 -16.153 -13.8202 TIMING: 4879000 CPU: 15431, 0.00319346/step Wall: 15431, 0.00319346/step, 0.107336 hours remaining, 234.761719 MB of memory in use. ENERGY: 4879000 4042.3657 20605.0328 14485.9637 253.2970 -203622.3616 2540.9939 0.0000 0.0000 52169.0459 -109525.6627 299.8162 -161694.7085 -109161.4774 298.9059 -326.4151 -296.9441 760179.4567 3.5436 3.6324 PRESSURE: 4879200 324.625 46.7188 -109.448 46.7183 -106.109 156.204 -109.449 156.204 -54.9043 GPRESSURE: 4879200 262.388 31.6268 -162.055 84.046 61.3568 135.338 -145.461 171.82 -63.9994 PRESSAVG: 4879200 -0.131048 12.8658 -6.27746 12.8659 -22.0828 14.6445 -6.27746 14.6444 7.35991 GPRESSAVG: 4879200 1.43894 14.8777 -6.53566 13.3851 -21.8098 15.3176 -5.47762 13.3225 6.274 TIMING: 4879200 CPU: 15431.6, 0.00316971/step Wall: 15431.6, 0.00316971/step, 0.106361 hours remaining, 234.761719 MB of memory in use. ENERGY: 4879200 3972.2448 20752.5962 14441.8891 247.0826 -203878.9530 2938.1839 0.0000 0.0000 52004.5508 -109522.4054 298.8709 -161526.9563 -109155.6343 299.3057 54.5372 86.5817 762660.9735 -4.9513 -4.6990 PRESSURE: 4879400 165.108 -172.99 136.641 -172.991 -175.152 83.4075 136.642 83.408 177.636 GPRESSURE: 4879400 96.6698 -109.518 147.487 -66.7844 -58.7293 13.3744 61.2469 102.712 228.294 PRESSAVG: 4879400 65.5728 -31.5478 47.1462 -31.5477 -19.2264 -26.4125 47.1462 -26.4125 5.90442 GPRESSAVG: 4879400 66.0572 -33.1749 47.6241 -31.227 -19.9505 -26.9045 47.9101 -25.0155 5.84561 TIMING: 4879400 CPU: 15432.3, 0.0031744/step Wall: 15432.3, 0.0031744/step, 0.106342 hours remaining, 234.761719 MB of memory in use. ENERGY: 4879400 3948.4340 20558.8689 14558.8754 261.2202 -203814.9030 2985.5854 0.0000 0.0000 51867.5805 -109634.3385 298.0837 -161501.9190 -109270.1493 298.9845 55.8639 88.7449 760191.4975 17.4169 17.3174 PRESSURE: 4879600 284.665 -188.018 -53.6909 -188.018 23.2246 35.245 -53.6912 35.245 -8.42086 GPRESSURE: 4879600 297.147 -125.721 -2.88019 -91.3397 79.9061 66.075 -78.2092 15.4645 14.9177 PRESSAVG: 4879600 17.7846 -30.9752 4.98996 -30.9753 -34.3017 -23.2439 4.98996 -23.2438 8.38569 GPRESSAVG: 4879600 17.4844 -30.2013 2.78394 -29.5765 -34.3649 -23.2938 4.08528 -24.1591 8.45551 TIMING: 4879600 CPU: 15432.9, 0.00316446/step Wall: 15432.9, 0.00316446/step, 0.105834 hours remaining, 234.761719 MB of memory in use. ENERGY: 4879600 3971.7715 20543.9165 14471.5240 242.6015 -203361.0419 2388.6941 0.0000 0.0000 52112.2068 -109630.3275 299.4896 -161742.5343 -109267.3594 298.9069 99.8230 130.6568 761914.0207 -2.7105 -2.8083 PRESSURE: 4879800 57.3937 -28.5853 -129.844 -28.586 160.82 -54.6769 -129.845 -54.6769 -355.344 GPRESSURE: 4879800 54.6266 -72.035 -52.9955 -145.571 172.64 39.8193 -37.3505 40.8067 -290.291 PRESSAVG: 4879800 15.1847 30.7329 -24.517 30.7329 -9.51714 -38.748 -24.517 -38.7481 15.1249 GPRESSAVG: 4879800 14.3785 31.0232 -22.9799 27.6715 -9.68219 -38.1785 -23.648 -40.2908 15.6587 TIMING: 4879800 CPU: 15433.5, 0.00317877/step Wall: 15433.5, 0.00317877/step, 0.106136 hours remaining, 234.761719 MB of memory in use. ENERGY: 4879800 3980.2488 20548.4106 14511.7935 248.5678 -203775.4369 2704.0029 0.0000 0.0000 52031.5601 -109750.8532 299.0261 -161782.4133 -109389.5245 298.8720 -45.7103 -21.0081 760517.8432 6.9308 6.7850 PRESSURE: 4880000 115.693 -97.9038 -124.31 -97.9033 127.988 -71.3836 -124.31 -71.3842 15.3625 GPRESSURE: 4880000 195.792 88.201 -73.6344 -135.798 148.305 -36.8338 -68.2634 -39.4844 14.166 PRESSAVG: 4880000 -11.4674 17.8209 -15.821 17.8209 4.06476 26.5048 -15.821 26.5048 -10.8519 GPRESSAVG: 4880000 -10.9444 18.9613 -15.157 17.6322 4.02202 26.4417 -16.3762 27.8383 -11.1957 TIMING: 4880000 CPU: 15434.2, 0.0031801/step Wall: 15434.2, 0.0031801/step, 0.106003 hours remaining, 234.761719 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: 4880000 4094.6518 20547.7177 14454.9507 231.1710 -203716.9392 2740.6329 0.0000 0.0000 52073.3454 -109574.4697 299.2662 -161647.8151 -109213.6252 299.3695 86.3479 119.4208 760581.5244 -6.0848 -6.0394 PRESSURE: 4880200 209.137 -71.4334 215.775 -71.4334 570.932 -21.5615 215.776 -21.5613 -1.08995 GPRESSURE: 4880200 225.566 -157.934 201.512 49.1218 526.001 60.1851 110.872 -100.197 128.643 PRESSAVG: 4880200 2.79079 37.1467 -46.7394 37.1467 15.8449 -25.6237 -46.7394 -25.6236 -10.8073 GPRESSAVG: 4880200 3.23818 35.6847 -47.5093 38.5179 16.0367 -24.0924 -47.2823 -27.2483 -10.7773 TIMING: 4880200 CPU: 15434.8, 0.00317305/step Wall: 15434.8, 0.00317305/step, 0.105592 hours remaining, 234.761719 MB of memory in use. ENERGY: 4880200 4022.7934 20486.3599 14486.2790 237.5106 -203517.6121 2651.5202 0.0000 0.0000 52222.4777 -109410.6714 300.1233 -161633.1491 -109047.5731 299.4166 259.6596 293.4034 759975.7800 2.6095 2.8325 LDB: ============= START OF LOAD BALANCING ============== 15447.3 LDB: ============== END OF LOAD BALANCING =============== 15447.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15447.3 LDB: ============= START OF LOAD BALANCING ============== 15447.6 LDB: Largest compute 7076 load 0.036331 is 18.6% of average load 0.195698 LDB: Average compute 0.004394 is 2.2% of average load 0.195698 LDB: TIME 15447.7 LOAD: AVG 0.195698 MAX 0.214424 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.418 MB LDB: TIME 15447.7 LOAD: AVG 0.195698 MAX 0.214424 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: TIME 15447.7 LOAD: AVG 0.195698 MAX 0.214424 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.418 MB LDB: ============== END OF LOAD BALANCING =============== 15447.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15447.7 PRESSURE: 4880400 -280.973 59.352 230.476 59.352 25.6232 -57.1901 230.476 -57.1913 -52.7054 GPRESSURE: 4880400 -255.733 -12.6745 111.55 22.3231 140.729 -52.6385 183.345 -26.563 -115.703 PRESSAVG: 4880400 -12.1028 16.1863 14.5169 16.1864 12.6759 -31.6153 14.5169 -31.6152 -7.89889 GPRESSAVG: 4880400 -13.6514 16.3106 13.1039 15.6758 12.8395 -33.5453 15.9202 -30.0701 -6.93861 TIMING: 4880400 CPU: 15435.4, 0.00323058/step Wall: 15435.4, 0.00323058/step, 0.107327 hours remaining, 237.160156 MB of memory in use. ENERGY: 4880400 3987.8197 20448.1654 14466.8600 240.4997 -203704.0719 2766.5502 0.0000 0.0000 52317.4535 -109476.7234 300.6691 -161794.1769 -109114.4034 298.9269 -102.6852 -76.9027 760545.9039 -2.4419 -2.5835 PRESSURE: 4880600 -450.761 -218.944 -53.7262 -218.944 -225.066 78.488 -53.7264 78.4871 -111.327 GPRESSURE: 4880600 -370.216 -168.762 -119.258 -67.7469 -332.976 126.061 -160.893 35.742 -20.5312 PRESSAVG: 4880600 -20.5321 6.60254 32.4011 6.60253 35.9145 -18.3606 32.4012 -18.3606 11.081 GPRESSAVG: 4880600 -19.8064 8.42081 33.1454 6.62114 36.318 -18.3163 31.5757 -20.1623 9.87769 TIMING: 4880600 CPU: 15436.1, 0.00318849/step Wall: 15436.1, 0.00318849/step, 0.105752 hours remaining, 237.406250 MB of memory in use. ENERGY: 4880600 3989.9687 20656.5026 14497.1421 259.1013 -203186.5962 2306.2857 0.0000 0.0000 51776.9199 -109700.6759 297.5627 -161477.5957 -109342.3453 299.3236 -262.3844 -241.2410 761762.4405 8.8211 8.7964 PRESSURE: 4880800 -23.7816 -119.257 -214.907 -119.257 -200.218 116.871 -214.907 116.872 319.203 GPRESSURE: 4880800 -56.5187 -178.801 -196.691 -24.5625 -153.886 36.3703 -194.096 112.137 379.569 PRESSAVG: 4880800 -84.322 -6.70419 -62.5893 -6.70411 48.4603 7.76251 -62.5892 7.76259 -6.80146 GPRESSAVG: 4880800 -83.5634 -9.9669 -62.3022 -6.68533 48.4015 9.36688 -61.3783 8.21736 -7.36431 TIMING: 4880800 CPU: 15436.7, 0.00316676/step Wall: 15436.7, 0.00316676/step, 0.104855 hours remaining, 237.406250 MB of memory in use. ENERGY: 4880800 4009.5750 20570.7016 14508.6426 248.0841 -203492.8917 2642.2509 0.0000 0.0000 51950.2386 -109563.3989 298.5587 -161513.6375 -109205.1739 298.8033 31.7344 56.3882 762707.4016 -14.2210 -14.1754 PRESSURE: 4881000 93.3315 181.319 236.565 181.32 -58.6457 -239.962 236.566 -239.962 -191.301 GPRESSURE: 4881000 123.594 152.144 164.416 194.57 -14.6007 -303.056 177.687 -218.552 -196.216 PRESSAVG: 4881000 5.13924 -27.1894 -66.2081 -27.1894 -10.8403 -1.23314 -66.208 -1.23316 -4.71179 GPRESSAVG: 4881000 2.89866 -26.352 -68.1338 -26.2466 -9.45753 -2.31009 -67.4656 0.808978 -3.99941 TIMING: 4881000 CPU: 15437.3, 0.00317207/step Wall: 15437.3, 0.00317207/step, 0.104855 hours remaining, 237.406250 MB of memory in use. ENERGY: 4881000 3997.3763 20591.5713 14580.9180 231.8975 -203653.5078 2733.4414 0.0000 0.0000 52013.5126 -109504.7906 298.9224 -161518.3032 -109134.1896 298.9666 -52.2049 -29.0743 762096.2327 -3.4710 -3.5194 PRESSURE: 4881200 -94.3089 152.488 -10.5839 152.488 14.2191 75.973 -10.584 75.9735 -19.5731 GPRESSURE: 4881200 -59.0623 60.9613 69.6637 110.376 118.429 164.85 -31.93 42.0092 -74.5683 PRESSAVG: 4881200 -28.7276 1.36432 -37.7827 1.36434 4.11338 21.3441 -37.7827 21.3442 -11.898 GPRESSAVG: 4881200 -27.2963 -0.256475 -36.4886 1.83308 3.59288 21.1845 -36.6024 21.3212 -13.2061 TIMING: 4881200 CPU: 15438, 0.00319103/step Wall: 15438, 0.00319103/step, 0.105304 hours remaining, 237.406250 MB of memory in use. ENERGY: 4881200 4013.4893 20477.6428 14544.6350 250.0776 -203939.8329 3081.3027 0.0000 0.0000 52016.0313 -109556.6542 298.9368 -161572.6855 -109185.7222 298.8522 -33.2210 -5.0673 761279.6401 -12.1707 -12.3032 PRESSURE: 4881400 -153.035 81.4805 206.413 81.4804 101.513 -54.2973 206.412 -54.2974 31.3498 GPRESSURE: 4881400 -202.223 97.2241 239.041 143.807 185.029 -16.1938 152.014 -37.243 82.5732 PRESSAVG: 4881400 -36.9303 10.3713 -21.233 10.3713 66.3364 -3.06834 -21.2329 -3.06834 -0.201726 GPRESSAVG: 4881400 -37.9266 10.9983 -20.6908 9.10469 66.0424 -2.41525 -20.2332 -6.04859 1.73574 TIMING: 4881400 CPU: 15438.6, 0.00317648/step Wall: 15438.6, 0.00317648/step, 0.104647 hours remaining, 237.406250 MB of memory in use. ENERGY: 4881400 3938.1698 20536.8216 14426.6055 243.4178 -203718.0486 2841.2572 0.0000 0.0000 52323.1777 -109408.5990 300.7020 -161731.7767 -109043.8463 299.1458 -6.7241 21.7930 762813.5349 9.7348 9.9505 PRESSURE: 4881600 -511.972 166.653 368.821 166.652 -13.7845 62.5095 368.821 62.5085 -131.984 GPRESSURE: 4881600 -331.348 153.996 382.946 94.1418 -32.4988 53.349 201.227 71.6648 -221.481 PRESSAVG: 4881600 -32.4076 10.0233 -6.77263 10.0232 19.5732 -52.2444 -6.77261 -52.2444 -10.9356 GPRESSAVG: 4881600 -30.3274 8.98792 -7.27282 13.6442 19.8057 -51.8669 -7.15929 -51.2993 -12.6239 TIMING: 4881600 CPU: 15439.3, 0.00314839/step Wall: 15439.3, 0.00314839/step, 0.103547 hours remaining, 237.406250 MB of memory in use. ENERGY: 4881600 4053.7629 20529.2619 14481.7349 251.6689 -202785.0711 2173.7301 0.0000 0.0000 52026.9769 -109267.9356 298.9998 -161294.9125 -108897.9264 299.3308 -219.2466 -195.1094 763553.4962 -7.9233 -7.7152 PRESSURE: 4881800 69.0203 58.0301 60.6777 58.0303 -160.32 -31.5431 60.6773 -31.5419 -170.526 GPRESSURE: 4881800 71.7569 159.735 -67.1055 14.5999 -149.927 -53.2555 -2.98445 -91.2583 -107.175 PRESSAVG: 4881800 -14.4844 9.66052 -42.3133 9.66057 0.274811 -78.8481 -42.3132 -78.8481 23.1544 GPRESSAVG: 4881800 -15.7437 12.7545 -42.659 6.61764 0.482961 -80.0927 -43.3543 -77.819 24.2068 TIMING: 4881800 CPU: 15439.9, 0.00316663/step Wall: 15439.9, 0.00316663/step, 0.103971 hours remaining, 237.406250 MB of memory in use. ENERGY: 4881800 3969.1205 20755.1364 14430.2388 259.2200 -203171.4095 2630.1396 0.0000 0.0000 52090.1821 -109037.3720 299.3630 -161127.5541 -108676.1695 299.5752 -87.2752 -61.7818 762450.9984 2.9816 2.9820 PRESSURE: 4882000 -268.033 39.5686 -29.0441 39.5687 375.791 -17.1384 -29.0445 -17.1386 396.746 GPRESSURE: 4882000 -136.285 13.5353 -37.0566 -5.38623 295.91 26.4385 12.0067 111.409 414.331 PRESSAVG: 4882000 19.2359 61.9512 18.77 61.9512 3.71457 -22.6434 18.7701 -22.6434 26.9793 GPRESSAVG: 4882000 20.7602 61.1317 22.0279 61.5763 2.63113 -21.2981 17.0589 -23.9801 26.2478 TIMING: 4882000 CPU: 15440.5, 0.00316738/step Wall: 15440.5, 0.00316738/step, 0.10382 hours remaining, 237.406250 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: 4882000 4095.6781 20579.6974 14454.8215 248.8619 -202914.2796 2565.5991 0.0000 0.0000 52267.5318 -108702.0898 300.3822 -160969.6216 -108340.2945 300.2313 168.1679 191.3190 760804.7028 16.6432 16.5464 PRESSURE: 4882200 186.701 186.874 -37.5883 186.874 187.454 166.014 -37.5873 166.015 -185.095 GPRESSURE: 4882200 159.396 115.279 -17.4126 155.184 299.031 156.749 -75.7422 153.392 -176.651 PRESSAVG: 4882200 -42.0985 34.7987 -54.66 34.7987 23.2527 -7.95068 -54.6599 -7.95072 -7.29635 GPRESSAVG: 4882200 -42.448 36.6605 -56.3844 35.097 22.9847 -8.24252 -50.9915 -8.84283 -6.79542 TIMING: 4882200 CPU: 15441.2, 0.00316123/step Wall: 15441.2, 0.00316123/step, 0.103442 hours remaining, 237.406250 MB of memory in use. ENERGY: 4882200 3934.6084 20502.5257 14459.7145 247.2777 -202747.3917 2428.8508 0.0000 0.0000 52417.2048 -108757.2099 301.2424 -161174.4146 -108385.9721 300.6963 63.0202 93.9252 760732.8794 -8.7140 -8.7529 PRESSURE: 4882400 78.5105 -103.881 -35.2428 -103.88 227.208 -50.4201 -35.2421 -50.4199 -49.7144 GPRESSURE: 4882400 92.6853 -95.1444 -102.797 -103.256 250.891 -34.8337 -50.6714 -113.873 -10.129 PRESSAVG: 4882400 -3.63908 3.50264 -34.4613 3.50268 37.367 0.734297 -34.4612 0.734359 35.6008 GPRESSAVG: 4882400 -4.65979 0.953044 -34.5066 5.28215 39.0752 0.599105 -35.6183 0.814547 35.379 TIMING: 4882400 CPU: 15441.8, 0.00316154/step Wall: 15441.8, 0.00316154/step, 0.103277 hours remaining, 237.406250 MB of memory in use. ENERGY: 4882400 4018.6584 20601.5205 14523.3420 258.4551 -202842.8179 2381.9670 0.0000 0.0000 52306.7792 -108752.0956 300.6078 -161058.8748 -108392.6898 300.4996 85.3346 111.1492 761102.1039 23.1096 23.2648 PRESSURE: 4882600 -292.772 77.0254 242.893 77.0248 247.927 -71.8904 242.894 -71.8908 -10.9203 GPRESSURE: 4882600 -154.594 6.78142 325.785 66.733 210.518 -40.2783 102.147 -232.284 -22.495 PRESSAVG: 4882600 -18.2755 -11.9249 -12.991 -11.9249 25.858 9.08905 -12.991 9.08905 18.5185 GPRESSAVG: 4882600 -17.4973 -9.9022 -13.4093 -14.2975 24.7452 10.4936 -14.5905 8.11054 19.0972 TIMING: 4882600 CPU: 15442.4, 0.00318101/step Wall: 15442.4, 0.00318101/step, 0.103736 hours remaining, 237.460938 MB of memory in use. ENERGY: 4882600 4024.2377 20550.6822 14520.1719 243.9204 -203283.1291 2775.4911 0.0000 0.0000 52260.0130 -108908.6127 300.3390 -161168.6257 -108537.9939 300.5132 -18.5885 11.1428 761431.1797 8.7003 8.7817 PRESSURE: 4882800 -113.795 -8.72951 57.384 -8.72876 -94.0815 138.697 57.3838 138.696 240.789 GPRESSURE: 4882800 -65.1573 37.5718 -22.457 31.0006 17.1709 249.563 16.1817 79.6661 175.268 PRESSAVG: 4882800 -57.7009 7.50775 16.9707 7.50779 62.6255 20.6204 16.9706 20.6203 -10.8768 GPRESSAVG: 4882800 -58.7001 6.8064 16.5182 7.67006 63.5712 20.8026 16.5662 20.684 -10.9839 TIMING: 4882800 CPU: 15443.1, 0.0032057/step Wall: 15443.1, 0.0032057/step, 0.104363 hours remaining, 237.460938 MB of memory in use. ENERGY: 4882800 3922.7237 20620.3770 14514.5270 238.2067 -203040.6079 2415.5924 0.0000 0.0000 52212.4592 -109116.7219 300.0657 -161329.1811 -108751.5310 300.5184 10.9708 42.4271 760792.8925 -1.9841 -2.0376 PRESSURE: 4883000 -108.818 -117.445 -101.184 -117.445 -107.938 -21.8209 -101.183 -21.8211 -167.348 GPRESSURE: 4883000 -35.476 -116.996 4.98028 -87.3884 -57.3654 -97.1836 -174.794 86.6276 -219.218 PRESSAVG: 4883000 27.4703 1.17206 -5.71052 1.17207 -31.2819 -33.0354 -5.71054 -33.0353 10.7712 GPRESSAVG: 4883000 27.7643 -1.05628 -5.10769 2.78503 -32.8119 -34.6467 -4.3188 -31.3954 12.4461 TIMING: 4883000 CPU: 15443.7, 0.00318606/step Wall: 15443.7, 0.00318606/step, 0.103547 hours remaining, 237.460938 MB of memory in use. ENERGY: 4883000 4040.2384 20682.9057 14500.4094 231.0153 -203523.3206 2670.7205 0.0000 0.0000 52155.5715 -109242.4599 299.7388 -161398.0314 -108884.9950 300.2685 -128.0347 -104.0198 760116.7184 2.3199 2.4662 PRESSURE: 4883200 48.8416 49.7942 34.0496 49.7934 201.191 122.342 34.0492 122.344 -474.634 GPRESSURE: 4883200 86.1235 37.5546 10.1141 45.9424 190.043 -6.49676 41.2857 151.136 -412.062 PRESSAVG: 4883200 3.49128 3.57147 23.016 3.57147 15.9193 60.8176 23.016 60.8177 5.81581 GPRESSAVG: 4883200 3.43183 6.47927 23.7186 1.65503 17.6424 61.3259 22.8273 59.9332 4.12954 TIMING: 4883200 CPU: 15444.3, 0.00318325/step Wall: 15444.3, 0.00318325/step, 0.103279 hours remaining, 237.460938 MB of memory in use. ENERGY: 4883200 4034.6425 20588.5146 14473.6153 239.9260 -203547.5284 2737.4517 0.0000 0.0000 52295.0241 -109178.3544 300.5402 -161473.3784 -108810.8180 299.8548 -74.8672 -45.2987 760011.5151 8.4088 8.4012 PRESSURE: 4883400 -225.897 54.3232 251.203 54.3224 -26.102 105.965 251.203 105.965 118.472 GPRESSURE: 4883400 -123.509 6.06392 250.529 62.3144 -42.2251 123.566 180.739 150.745 122.817 PRESSAVG: 4883400 19.2595 -3.14201 -1.98788 -3.14206 -12.271 -12.9543 -1.98786 -12.9544 10.388 GPRESSAVG: 4883400 20.2445 -6.10621 -2.83824 -2.20408 -13.09 -11.8854 -2.55058 -13.5365 9.66312 TIMING: 4883400 CPU: 15445, 0.003188/step Wall: 15445, 0.003188/step, 0.103256 hours remaining, 237.460938 MB of memory in use. ENERGY: 4883400 3981.3165 20640.7389 14501.6494 266.7891 -203236.6831 2396.1529 0.0000 0.0000 52098.2409 -109351.7955 299.4093 -161450.0364 -108993.1618 299.2111 -44.5090 -14.3059 760425.6690 5.7922 5.6059 PRESSURE: 4883600 30.586 72.0151 43.5996 72.0149 243.166 -160.241 43.5995 -160.24 -9.37628 GPRESSURE: 4883600 143.274 20.5961 29.3133 27.7117 246.85 -311.278 -33.6518 -4.65333 -40.69 PRESSAVG: 4883600 19.702 18.2813 28.9203 18.2812 -9.80286 -26.5342 28.9203 -26.5342 6.41112 GPRESSAVG: 4883600 19.5484 20.114 28.3042 17.0906 -9.73205 -26.3292 27.008 -25.2971 6.6557 TIMING: 4883600 CPU: 15445.6, 0.00318077/step Wall: 15445.6, 0.00318077/step, 0.102845 hours remaining, 237.460938 MB of memory in use. ENERGY: 4883600 3906.8452 20509.3374 14517.4379 255.7171 -203352.5517 2799.1451 0.0000 0.0000 51650.7862 -109713.2828 296.8378 -161364.0690 -109346.7866 299.2855 88.1252 116.4778 761372.1499 5.4367 5.4907 PRESSURE: 4883800 -48.8457 78.2365 -165.514 78.2368 93.5371 291.223 -165.515 291.221 89.9396 GPRESSURE: 4883800 -86.9438 149.578 -119.327 52.0381 199.975 200.26 -124.821 295.785 116.595 PRESSAVG: 4883800 12.2331 -8.43532 -19.7893 -8.43539 3.43993 8.9376 -19.7894 8.93758 14.6483 GPRESSAVG: 4883800 11.4157 -7.77873 -19.5115 -10.1973 3.78593 7.12276 -18.3985 9.57972 14.8161 TIMING: 4883800 CPU: 15446.2, 0.00318698/step Wall: 15446.2, 0.00318698/step, 0.102869 hours remaining, 237.460938 MB of memory in use. ENERGY: 4883800 4011.5258 20568.2931 14386.5581 260.3577 -203256.5282 2696.2463 0.0000 0.0000 51912.4980 -109421.0492 298.3418 -161333.5472 -109053.0558 298.7137 44.8770 76.5420 762245.7468 10.1071 10.0059 PRESSURE: 4884000 -64.9435 23.3171 -291.864 23.3174 -30.1068 -134.927 -291.863 -134.927 250.092 GPRESSURE: 4884000 15.0355 89.639 -202.862 27.0081 -26.3402 -212.785 -299.413 -111.434 264.271 PRESSAVG: 4884000 -16.4178 13.4827 23.2766 13.4827 -3.56774 -8.04297 23.2766 -8.043 11.6128 GPRESSAVG: 4884000 -15.3813 13.834 21.9372 15.023 -4.63891 -6.52326 23.1352 -8.17221 11.5195 TIMING: 4884000 CPU: 15446.9, 0.00316958/step Wall: 15446.9, 0.00316958/step, 0.102131 hours remaining, 237.460938 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: 4884000 4022.2020 20732.7222 14490.9873 237.2415 -204028.6020 3140.6159 0.0000 0.0000 51959.2665 -109445.5665 298.6106 -161404.8330 -109097.2478 299.1273 51.6807 84.3220 763228.6366 -2.7909 -2.8336 PRESSURE: 4884200 -239.494 -12.5737 130.101 -12.5731 -144.684 -32.0004 130.1 -32 -246.749 GPRESSURE: 4884200 -189.706 -56.7147 140.414 -51.796 -77.8353 33.9237 91.4494 -88.1424 -271.602 PRESSAVG: 4884200 8.22099 -28.2747 42.4987 -28.2746 8.02337 8.70753 42.4987 8.70751 -7.28604 GPRESSAVG: 4884200 7.91033 -29.0466 43.594 -27.9933 8.03165 7.09656 42.6618 7.50785 -6.94925 TIMING: 4884200 CPU: 15447.5, 0.00316281/step Wall: 15447.5, 0.00316281/step, 0.101737 hours remaining, 237.460938 MB of memory in use. ENERGY: 4884200 4027.6262 20482.9943 14537.9639 244.5134 -203503.9702 2671.5838 0.0000 0.0000 52087.4684 -109451.8201 299.3474 -161539.2885 -109080.8178 299.2381 -210.3088 -179.7145 763361.4483 2.9861 2.9976 LDB: ============= START OF LOAD BALANCING ============== 15460 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15460 LDB: =============== DONE WITH MIGRATION ================ 15460 LDB: ============= START OF LOAD BALANCING ============== 15460.4 LDB: Largest compute 7076 load 0.035445 is 18.1% of average load 0.195697 LDB: Average compute 0.004376 is 2.2% of average load 0.195697 LDB: TIME 15460.4 LOAD: AVG 0.195697 MAX 0.216818 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.492 MB LDB: TIME 15460.4 LOAD: AVG 0.195697 MAX 0.216818 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: TIME 15460.4 LOAD: AVG 0.195697 MAX 0.216818 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.531 MB LDB: ============== END OF LOAD BALANCING =============== 15460.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15460.4 PRESSURE: 4884400 181.347 -34.6226 -222.575 -34.6221 -283.558 -16.5048 -222.575 -16.5044 134.782 GPRESSURE: 4884400 72.9494 -23.0748 -115.55 -44.8591 -197.474 14.958 -296.25 -113.931 232.496 PRESSAVG: 4884400 -69.6251 8.13536 -33.0452 8.13534 52.6918 -63.8226 -33.0451 -63.8225 18.6553 GPRESSAVG: 4884400 -69.7815 9.36684 -31.402 7.42922 53.0237 -61.9054 -33.4563 -64.2103 18.6758 TIMING: 4884400 CPU: 15448.2, 0.00322765/step Wall: 15448.2, 0.00322765/step, 0.103643 hours remaining, 236.421875 MB of memory in use. ENERGY: 4884400 3952.5693 20651.5501 14490.2408 256.7193 -203442.6802 2792.3905 0.0000 0.0000 52215.9018 -109083.3086 300.0855 -161299.2104 -108723.2182 299.6874 10.8567 35.9905 762892.1133 0.5740 0.6394 PRESSURE: 4884600 -92.6256 -245.109 154.21 -245.108 -99.8238 -339.766 154.21 -339.766 287.301 GPRESSURE: 4884600 -18.1265 -207.656 103.972 -184.231 -81.5179 -189.693 151.941 -316.85 271.334 PRESSAVG: 4884600 -21.3752 -28.6889 4.65643 -28.6889 12.7153 -22.0982 4.65642 -22.0982 -14.237 GPRESSAVG: 4884600 -22.6402 -32.303 3.64616 -26.7357 12.7863 -22.2283 5.19243 -20.3393 -12.8461 TIMING: 4884600 CPU: 15448.8, 0.00314914/step Wall: 15448.8, 0.00314914/step, 0.100947 hours remaining, 236.648438 MB of memory in use. ENERGY: 4884600 3923.4505 20781.8292 14413.2885 256.1379 -203378.7797 2806.9892 0.0000 0.0000 52121.1089 -109075.9754 299.5407 -161197.0843 -108717.6545 300.2536 31.6172 57.2300 761323.7443 -7.6323 -7.5667 PRESSURE: 4884800 83.9654 -151.275 -206.357 -151.275 -61.7671 331.306 -206.358 331.306 121.019 GPRESSURE: 4884800 134.279 -148.664 -210.343 -212.678 57.4442 265.762 -143.042 282.604 56.0343 PRESSAVG: 4884800 -24.5012 -41.6302 3.59594 -41.6302 30.6638 -11.727 3.59596 -11.7271 -8.00161 GPRESSAVG: 4884800 -24.5655 -38.575 2.19098 -44.025 32.5474 -10.9532 3.93592 -13.3471 -10.0042 TIMING: 4884800 CPU: 15449.4, 0.00314929/step Wall: 15449.4, 0.00314929/step, 0.100777 hours remaining, 236.648438 MB of memory in use. ENERGY: 4884800 3992.3999 20659.8209 14535.7494 257.0325 -203047.6251 2664.9232 0.0000 0.0000 51890.3308 -109047.3683 298.2144 -160937.6991 -108688.1017 300.2766 47.7392 82.5858 761819.8624 -0.6130 -0.6741 PRESSURE: 4885000 -117.193 -2.97266 -155.199 -2.97244 100.329 -5.89322 -155.199 -5.89313 145.43 GPRESSURE: 4885000 -99.6658 32.1958 -219.258 43.6766 139.774 39.5947 -129.708 114.214 152.677 PRESSAVG: 4885000 -49.7769 31.0403 5.41751 31.0403 66.0856 10.3646 5.41746 10.3646 -5.90981 GPRESSAVG: 4885000 -47.3945 31.5238 6.7894 32.0121 64.7242 11.2073 6.32698 10.0926 -6.58774 TIMING: 4885000 CPU: 15450, 0.00313367/step Wall: 15450, 0.00313367/step, 0.100103 hours remaining, 236.648438 MB of memory in use. ENERGY: 4885000 4006.6061 20531.1549 14513.9030 256.6114 -202956.3602 2536.5467 0.0000 0.0000 52029.3944 -109082.1437 299.0136 -161111.5381 -108709.1121 299.4839 42.8555 64.2617 761386.2869 3.4663 3.5806 PRESSURE: 4885200 -275.598 -128.058 -7.92332 -128.057 194.484 40.5168 -7.92313 40.5169 -166.985 GPRESSURE: 4885200 -177.277 -130.734 -58.9923 -113.228 113.205 -86.2683 63.9389 -1.47973 -97.3448 PRESSAVG: 4885200 -1.56181 -40.8071 -16.3301 -40.8071 1.44039 24.7058 -16.3301 24.7058 -24.0699 GPRESSAVG: 4885200 -2.94962 -41.0842 -18.2983 -40.5242 1.06675 21.2926 -16.475 25.8885 -22.4488 TIMING: 4885200 CPU: 15450.7, 0.00316136/step Wall: 15450.7, 0.00316136/step, 0.100812 hours remaining, 236.648438 MB of memory in use. ENERGY: 4885200 3979.6605 20636.0921 14506.8360 260.5856 -202937.5646 2298.8396 0.0000 0.0000 52204.0411 -109051.5097 300.0173 -161255.5508 -108681.7842 299.7943 -82.6995 -53.8055 761907.0919 -8.0638 -8.1105 PRESSURE: 4885400 339.751 80.5461 27.2919 80.5461 36.3974 -164.513 27.2924 -164.514 4.1889 GPRESSURE: 4885400 358.144 86.2246 36.4795 87.8186 8.14336 -170.661 69.0761 -102.064 107.631 PRESSAVG: 4885400 -12.7528 -39.8056 -58.1429 -39.8056 1.70189 -8.40206 -58.1428 -8.40211 10.0172 GPRESSAVG: 4885400 -10.6309 -41.436 -57.5871 -38.8781 0.960422 -5.86313 -57.5962 -8.63604 9.07505 TIMING: 4885400 CPU: 15451.3, 0.0031635/step Wall: 15451.3, 0.0031635/step, 0.100705 hours remaining, 236.648438 MB of memory in use. ENERGY: 4885400 3945.1945 20483.4608 14536.0668 243.5693 -202930.4689 2553.3987 0.0000 0.0000 52047.6261 -109121.1526 299.1184 -161168.7787 -108759.6973 299.8531 126.7791 157.9727 761523.3633 -0.3446 -0.1985 PRESSURE: 4885600 52.4662 -22.7545 -101.769 -22.7548 -388.685 188.717 -101.769 188.717 322.781 GPRESSURE: 4885600 59.1571 -23.2152 -130.197 -63.0492 -334.775 157.445 -33.5033 122.412 354.924 PRESSAVG: 4885600 52.9132 11.6834 54.3552 11.6834 -30.1192 19.6905 54.3551 19.6906 -6.33994 GPRESSAVG: 4885600 50.9722 14.192 53.2018 8.3658 -28.472 18.955 54.4707 20.7527 -5.71009 TIMING: 4885600 CPU: 15451.9, 0.00315834/step Wall: 15451.9, 0.00315834/step, 0.100365 hours remaining, 236.648438 MB of memory in use. ENERGY: 4885600 3978.0494 20525.9995 14534.2847 252.1639 -203115.8012 2530.6728 0.0000 0.0000 52302.8713 -108991.7595 300.5853 -161294.6308 -108626.5029 299.7524 -4.4792 26.4356 761845.9293 5.4847 5.5967 PRESSURE: 4885800 -402.899 -24.21 -96.2113 -24.2107 86.9128 85.0122 -96.2117 85.0117 -350.927 GPRESSURE: 4885800 -296.772 -60.7545 -89.7268 -7.02235 60.33 205.003 -108.364 76.2676 -355.221 PRESSAVG: 4885800 2.48477 19.5866 -2.77517 19.5866 6.38426 24.9832 -2.77518 24.9832 -4.17556 GPRESSAVG: 4885800 2.48467 17.183 -3.06926 21.0255 6.21904 24.5158 -5.27416 25.0196 -3.79025 TIMING: 4885800 CPU: 15452.6, 0.00314778/step Wall: 15452.6, 0.00314778/step, 0.0998546 hours remaining, 236.648438 MB of memory in use. ENERGY: 4885800 4069.8781 20601.6397 14489.6813 240.7490 -203192.6998 2402.4515 0.0000 0.0000 52401.7644 -108986.5358 301.1537 -161388.3003 -108623.1640 300.8223 -222.3044 -197.2210 762248.6712 1.5645 1.6378 PRESSURE: 4886000 -128.309 61.9553 68.7285 61.9559 -91.031 -24.9879 68.7291 -24.9883 383.327 GPRESSURE: 4886000 -141.527 -17.4713 121.133 74.5354 15.0498 -35.5838 7.22238 -81.5841 405.706 PRESSAVG: 4886000 -31.8578 -59.3583 54.5086 -59.3583 22.5577 55.0934 54.5086 55.0935 29.0473 GPRESSAVG: 4886000 -32.023 -59.1383 55.2467 -57.5207 23.7515 53.8852 56.8113 54.3803 28.7345 TIMING: 4886000 CPU: 15453.2, 0.00315022/step Wall: 15453.2, 0.00315022/step, 0.099757 hours remaining, 236.648438 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: 4886000 4023.7064 20602.6479 14465.6406 245.1509 -203306.6095 2773.0309 0.0000 0.0000 52347.5605 -108848.8722 300.8421 -161196.4327 -108480.5830 300.4846 54.6625 93.0764 760132.5409 6.5824 6.8210 PRESSURE: 4886200 235.198 -114.423 221.728 -114.422 -37.2363 -51.2713 221.729 -51.271 187.335 GPRESSURE: 4886200 216.632 -293.762 79.9885 -45.4281 59.4049 -24.5462 200.837 49.4099 208.04 PRESSAVG: 4886200 23.6197 -67.0455 31.1441 -67.0455 -10.521 24.0603 31.1441 24.0602 14.4498 GPRESSAVG: 4886200 22.4051 -67.3523 31.701 -68.1363 -10.4697 24.0907 30.1925 24.271 15.1533 TIMING: 4886200 CPU: 15453.8, 0.00315443/step Wall: 15453.8, 0.00315443/step, 0.099715 hours remaining, 236.632812 MB of memory in use. ENERGY: 4886200 4034.3033 20575.4211 14517.8157 238.0398 -203272.0353 2703.5633 0.0000 0.0000 52093.4577 -109109.4345 299.3818 -161202.8922 -108754.5771 300.6727 128.4322 161.3590 761098.3236 9.1828 9.0296 PRESSURE: 4886400 -224.332 44.3263 -53.631 44.3254 61.2141 73.3575 -53.6315 73.3552 88.511 GPRESSURE: 4886400 -177.49 74.1646 -41.5736 16.6131 103.249 72.2311 -86.3443 106.858 77.6489 PRESSAVG: 4886400 43.9341 -74.4889 4.00826 -74.489 -2.71962 -12.3477 4.00828 -12.3478 8.53431 GPRESSAVG: 4886400 44.0572 -71.6683 2.3712 -76.1009 -2.67548 -12.0244 3.96149 -8.8893 8.48992 TIMING: 4886400 CPU: 15454.5, 0.00315997/step Wall: 15454.5, 0.00315997/step, 0.0997146 hours remaining, 236.632812 MB of memory in use. ENERGY: 4886400 3960.7565 20513.8713 14440.6864 263.2093 -203262.0644 2552.8307 0.0000 0.0000 52182.5502 -109348.1601 299.8938 -161530.7103 -108992.8857 299.8846 -24.8689 1.1362 761429.0715 16.5829 16.6239 PRESSURE: 4886600 211.787 -339.405 103.603 -339.405 247.027 2.33192 103.603 2.33142 -326.815 GPRESSURE: 4886600 276.434 -192.364 7.27557 -276.893 209.644 70.1374 157.83 40.289 -250.522 PRESSAVG: 4886600 33.7952 -106.589 -35.3899 -106.589 4.52996 4.62821 -35.3898 4.62818 14.4333 GPRESSAVG: 4886600 35.6445 -108.409 -33.9036 -104.789 3.52657 4.25906 -35.9226 2.36602 13.5509 TIMING: 4886600 CPU: 15455.1, 0.00314927/step Wall: 15455.1, 0.00314927/step, 0.099202 hours remaining, 236.632812 MB of memory in use. ENERGY: 4886600 3947.5715 20430.2092 14352.3470 239.7374 -203198.4933 2558.4046 0.0000 0.0000 52076.4281 -109593.7954 299.2839 -161670.2235 -109228.0289 299.1695 43.9998 78.5188 760562.5993 17.5862 17.5740 PRESSURE: 4886800 -231.728 -18.574 60.3321 -18.5737 49.7678 70.4242 60.3328 70.4234 -350.784 GPRESSURE: 4886800 -289.192 -4.55449 24.7112 -41.9497 65.8091 53.1407 25.843 116.888 -225.147 PRESSAVG: 4886800 14.0961 -76.1989 -18.4173 -76.1989 9.31744 0.878242 -18.4173 0.878252 13.0617 GPRESSAVG: 4886800 13.7492 -76.9914 -17.269 -77.5447 9.93841 0.544582 -19.0436 -0.374792 13.1673 TIMING: 4886800 CPU: 15455.7, 0.0031483/step Wall: 15455.7, 0.0031483/step, 0.0989966 hours remaining, 236.632812 MB of memory in use. ENERGY: 4886800 3978.7019 20480.1012 14479.6939 259.4377 -203078.7350 2455.9544 0.0000 0.0000 51921.4118 -109503.4340 298.3931 -161424.8458 -109133.0666 298.9658 -177.5815 -149.5101 761170.8551 12.1584 12.2850 PRESSURE: 4887000 264.25 -200.859 151.416 -200.859 96.5458 83.273 151.415 83.2733 -64.2513 GPRESSURE: 4887000 347.187 -198.565 79.9371 -306.381 58.0684 82.9365 139.473 107.327 0.70503 PRESSAVG: 4887000 -41.6111 -53.1536 4.39234 -53.1536 42.5072 58.1782 4.39231 58.1782 27.5936 GPRESSAVG: 4887000 -40.7683 -51.867 2.94852 -52.5425 41.4591 59.2549 5.66185 59.3148 28.2932 TIMING: 4887000 CPU: 15456.4, 0.0031478/step Wall: 15456.4, 0.0031478/step, 0.098806 hours remaining, 236.632812 MB of memory in use. ENERGY: 4887000 4022.0495 20484.5560 14434.4121 242.4171 -203591.4225 2906.9436 0.0000 0.0000 51906.4785 -109594.5656 298.3072 -161501.0442 -109229.9392 298.4610 98.8481 135.3201 760567.3429 9.4965 9.6613 PRESSURE: 4887200 -149.638 19.9656 -186.359 19.9652 -313.349 221.195 -186.359 221.195 -45.5364 GPRESSURE: 4887200 -94.5586 -48.8051 -184.777 131.816 -216.309 305.227 -123.048 183.047 -98.5517 PRESSAVG: 4887200 -2.82903 -15.9677 -1.0167 -15.9678 -11.7774 62.6393 -1.01671 62.6393 -7.10269 GPRESSAVG: 4887200 -3.48102 -13.3327 -1.03107 -17.148 -11.3249 63.037 -2.47762 61.5042 -7.19578 TIMING: 4887200 CPU: 15457, 0.00314375/step Wall: 15457, 0.00314375/step, 0.0985042 hours remaining, 236.632812 MB of memory in use. ENERGY: 4887200 3925.6951 20414.5913 14444.5984 212.6930 -202959.5144 2281.7520 0.0000 0.0000 51871.9241 -109808.2604 298.1087 -161680.1845 -109447.0865 297.9265 -169.5078 -136.4731 761645.5061 -7.2364 -7.3339 PRESSURE: 4887400 27.2989 -131.846 3.71939 -131.846 -69.8317 63.6039 3.71964 63.6035 -25.2538 GPRESSURE: 4887400 71.0091 -69.4145 -37.9764 -113.086 -48.4649 85.9955 4.38234 77.1432 27.1495 PRESSAVG: 4887400 -12.2064 -39.48 -1.71485 -39.48 -12.4505 53.4518 -1.71482 53.4519 -19.744 GPRESSAVG: 4887400 -12.5155 -42.8879 -0.799271 -36.9795 -11.8029 53.475 -1.73785 54.6263 -20.6618 TIMING: 4887400 CPU: 15457.6, 0.00315606/step Wall: 15457.6, 0.00315606/step, 0.0987145 hours remaining, 236.632812 MB of memory in use. ENERGY: 4887400 3980.5462 20454.4577 14472.8362 235.9167 -203415.3097 2744.9506 0.0000 0.0000 51686.9823 -109839.6200 297.0458 -161526.6023 -109489.2939 298.2094 -22.5955 16.5645 760759.6438 -14.8003 -14.9934 PRESSURE: 4887600 -365.208 -154.372 53.055 -154.372 -159.221 169.081 53.0551 169.08 -17.4492 GPRESSURE: 4887600 -335.485 -91.3506 28.9598 -179.934 -99.5747 190.687 -9.03449 104.923 -12.6887 PRESSAVG: 4887600 6.08953 -76.5589 17.1182 -76.559 -14.8529 32.6147 17.1182 32.6146 4.20568 GPRESSAVG: 4887600 5.53798 -76.571 15.7876 -78.1666 -15.2299 32.1113 17.0979 32.3482 5.08028 TIMING: 4887600 CPU: 15458.2, 0.00316535/step Wall: 15458.2, 0.00316535/step, 0.0988292 hours remaining, 236.632812 MB of memory in use. ENERGY: 4887600 4037.3872 20349.5366 14410.0871 258.3948 -203286.9500 2625.1128 0.0000 0.0000 51933.0961 -109673.3355 298.4602 -161606.4316 -109329.2270 298.2317 -180.6261 -149.2496 762471.6045 -1.5192 -1.5372 PRESSURE: 4887800 -351.007 133.686 17.8974 133.686 -294.555 224.62 17.897 224.62 -42.0196 GPRESSURE: 4887800 -393.755 214.309 43.6138 31.7195 -236.209 232.696 -0.176895 226.232 33.0911 PRESSAVG: 4887800 6.16219 -8.2362 5.67013 -8.23615 -3.72688 12.4976 5.67013 12.4976 4.346 GPRESSAVG: 4887800 6.28607 -7.31583 5.83156 -8.6413 -3.2837 11.2537 6.25276 9.65109 3.37314 TIMING: 4887800 CPU: 15458.9, 0.00316838/step Wall: 15458.9, 0.00316838/step, 0.098748 hours remaining, 236.632812 MB of memory in use. ENERGY: 4887800 4043.6545 20404.2113 14454.7644 247.3178 -202961.3264 2327.2723 0.0000 0.0000 51920.9625 -109563.1437 298.3905 -161484.1062 -109203.4391 298.2282 -229.1939 -198.9575 762949.6350 2.2604 2.1252 PRESSURE: 4888000 99.5222 -4.84931 117.079 -4.84936 167.234 -237.057 117.079 -237.057 39.3316 GPRESSURE: 4888000 176.484 -118.978 19.1624 -46.0424 155.307 -290.215 43.6893 -122.846 41.8101 PRESSAVG: 4888000 -0.146761 -24.3152 -46.78 -24.3151 5.62173 30.4734 -46.78 30.4734 28.3501 GPRESSAVG: 4888000 0.832813 -25.3062 -45.8165 -22.6604 5.48775 32.3934 -48.877 31.9457 27.1438 TIMING: 4888000 CPU: 15459.5, 0.00315819/step Wall: 15459.5, 0.00315819/step, 0.0982547 hours remaining, 236.632812 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: 4888000 3886.0113 20379.2061 14499.7060 260.8128 -203363.3727 2841.4787 0.0000 0.0000 51993.0530 -109503.1049 298.8048 -161496.1578 -109142.6713 298.7954 102.0291 124.5337 762133.3368 11.2750 11.1548 PRESSURE: 4888200 -9.99067 -78.6988 -116.671 -78.6984 -33.9949 6.18261 -116.672 6.18308 36.0889 GPRESSURE: 4888200 -10.7615 -4.59023 -129.924 -80.8832 -9.01637 -30.8073 -49.0683 47.6955 100.036 PRESSAVG: 4888200 -12.6895 -28.3048 -13.7792 -28.3048 3.37287 3.79828 -13.7792 3.79825 -22.1151 GPRESSAVG: 4888200 -13.8071 -28.0132 -13.406 -30.373 2.80097 1.82568 -12.2804 2.76893 -19.9447 TIMING: 4888200 CPU: 15460.1, 0.00316947/step Wall: 15460.1, 0.00316947/step, 0.0984297 hours remaining, 236.632812 MB of memory in use. ENERGY: 4888200 4013.2910 20367.8790 14422.2157 242.0279 -202814.2703 2348.8701 0.0000 0.0000 52070.9561 -109349.0306 299.2525 -161419.9867 -108989.8956 298.8459 -2.6322 26.7528 762617.1120 -10.4773 -10.3169 LDB: ============= START OF LOAD BALANCING ============== 15472.7 LDB: ============== END OF LOAD BALANCING =============== 15472.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15472.7 LDB: ============= START OF LOAD BALANCING ============== 15473 LDB: Largest compute 7026 load 0.035327 is 18.1% of average load 0.195524 LDB: Average compute 0.004402 is 2.3% of average load 0.195524 LDB: TIME 15473 LOAD: AVG 0.195524 MAX 0.216192 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.172 MB LDB: TIME 15473 LOAD: AVG 0.195524 MAX 0.216192 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.379 MB LDB: TIME 15473 LOAD: AVG 0.195524 MAX 0.216192 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.379 MB LDB: ============== END OF LOAD BALANCING =============== 15473 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 PRESSURE: 4888400 -151.759 -112.806 -121.112 -112.806 112.169 78.315 -121.112 78.3149 -393.296 GPRESSURE: 4888400 -145.343 -160.305 -18.4156 11.9528 122.447 211.248 -37.9385 47.6479 -318.405 PRESSAVG: 4888400 -26.6683 -21.7147 54.982 -21.7147 -5.78746 37.3686 54.9821 37.3686 1.52551 GPRESSAVG: 4888400 -25.4549 -22.6421 55.3073 -20.4481 -5.91009 38.9482 55.3996 38.7372 0.223755 TIMING: 4888400 CPU: 15460.8, 0.00322759/step Wall: 15460.8, 0.00322759/step, 0.100055 hours remaining, 235.675781 MB of memory in use. ENERGY: 4888400 3996.1783 20427.1900 14565.1249 250.4890 -203052.6523 2649.7093 0.0000 0.0000 51848.8263 -109315.1345 297.9759 -161163.9608 -108955.4811 298.4839 -144.2953 -113.7668 763701.8537 -10.3101 -10.3804 PRESSURE: 4888600 -90.3655 158.081 89.8461 158.081 312.248 -48.6313 89.8461 -48.6306 -166.701 GPRESSURE: 4888600 -64.4457 113.365 101.816 88.1579 270.014 -128.166 112.19 20.4432 -64.3075 PRESSAVG: 4888600 -78.7098 -37.6943 -34.9323 -37.6943 43.0387 30.5042 -34.9324 30.5042 38.5611 GPRESSAVG: 4888600 -79.6012 -36.3966 -36.2753 -40.1724 45.2517 30.1132 -35.9105 29.4392 36.7977 TIMING: 4888600 CPU: 15461.4, 0.00319525/step Wall: 15461.4, 0.00319525/step, 0.0988753 hours remaining, 235.917969 MB of memory in use. ENERGY: 4888600 4038.5749 20393.3513 14560.1551 262.3501 -203064.7734 2467.5077 0.0000 0.0000 52068.4966 -109274.3377 299.2384 -161342.8343 -108915.0271 299.0864 18.3937 47.0869 762270.7536 0.9633 0.8161 PRESSURE: 4888800 -59.2889 45.0455 -168.608 45.0452 -90.5812 -106.272 -168.608 -106.271 -117.748 GPRESSURE: 4888800 24.9846 16.7826 -66.5387 65.1377 -83.8638 -139.864 -167.599 -184.542 -111.156 PRESSAVG: 4888800 27.5526 -1.7327 -4.7023 -1.73275 7.17592 -6.00407 -4.70234 -6.00408 9.68986 GPRESSAVG: 4888800 26.4547 -2.3485 -4.33626 -0.425781 6.17833 -5.19035 -3.41304 -6.53508 11.3257 TIMING: 4888800 CPU: 15462.1, 0.00318888/step Wall: 15462.1, 0.00318888/step, 0.0985011 hours remaining, 236.121094 MB of memory in use. ENERGY: 4888800 3944.5127 20506.1896 14455.9722 233.1368 -202767.8781 2352.5399 0.0000 0.0000 51928.9353 -109346.5915 298.4363 -161275.5268 -108983.1536 299.2653 -89.2059 -56.6785 763384.1821 14.8061 14.6529 PRESSURE: 4889000 165 105.846 11.3097 105.845 -180.142 128.517 11.3093 128.517 27.8397 GPRESSURE: 4889000 251.104 50.3137 42.1684 -13.321 -113.211 -6.20935 -32.0265 119.81 -50.1202 PRESSAVG: 4889000 -56.6599 -7.40776 -17.8219 -7.40781 11.9712 -16.3702 -17.8219 -16.3701 7.41719 GPRESSAVG: 4889000 -55.3848 -8.21853 -19.0931 -6.40254 11.091 -18.3967 -16.6812 -13.7059 6.59112 TIMING: 4889000 CPU: 15462.7, 0.00319696/step Wall: 15462.7, 0.00319696/step, 0.098573 hours remaining, 236.121094 MB of memory in use. ENERGY: 4889000 3940.3320 20465.6804 14478.3454 252.7668 -203091.6416 2619.7072 0.0000 0.0000 51868.8732 -109465.9365 298.0911 -161334.8097 -109098.7955 298.4231 4.2327 29.2579 764397.8495 -12.4238 -12.5676 PRESSURE: 4889200 -262.673 -8.18915 -53.3442 -8.18903 20.4345 123.405 -53.3438 123.405 -13.5498 GPRESSURE: 4889200 -197.969 62.5118 -33.9826 81.4668 17.486 158.046 -42.0054 177.827 -3.66678 PRESSAVG: 4889200 -26.6033 -42.7468 -31.3528 -42.7468 51.9082 21.1248 -31.3528 21.1249 16.3327 GPRESSAVG: 4889200 -28.6824 -41.1943 -30.8543 -43.5258 53.7527 21.3828 -31.5191 20.1308 16.3939 TIMING: 4889200 CPU: 15463.3, 0.00318473/step Wall: 15463.3, 0.00318473/step, 0.098019 hours remaining, 236.187500 MB of memory in use. ENERGY: 4889200 4020.2512 20616.9663 14563.1226 245.6808 -203223.4802 2565.6195 0.0000 0.0000 51883.7914 -109328.0484 298.1769 -161211.8397 -108965.4614 298.8323 -85.2628 -61.3831 762918.8555 13.8792 13.8214 PRESSURE: 4889400 -22.0128 -238.71 -114.501 -238.71 -268.108 -31.9335 -114.502 -31.9341 -63.5361 GPRESSURE: 4889400 -34.7728 -324.602 -183.475 -262.286 -105.012 -13.0952 -209.106 -73.0491 -122.952 PRESSAVG: 4889400 -42.4483 -37.1541 -14.7598 -37.1541 78.5158 -18.3846 -14.7597 -18.3846 -23.4203 GPRESSAVG: 4889400 -42.1683 -39.961 -14.5566 -35.8321 77.8136 -18.5625 -15.5926 -16.7734 -23.4901 TIMING: 4889400 CPU: 15464, 0.00318863/step Wall: 15464, 0.00318863/step, 0.0979619 hours remaining, 236.187500 MB of memory in use. ENERGY: 4889400 3950.3600 20614.8548 14549.1995 249.2856 -202942.0068 2324.0007 0.0000 0.0000 51958.5033 -109295.8031 298.6062 -161254.3063 -108942.0091 299.5444 -117.8855 -87.5789 761260.9734 4.2157 4.0518 PRESSURE: 4889600 19.3827 4.31121 200.823 4.31059 110.168 49.9438 200.823 49.9445 -167.333 GPRESSURE: 4889600 82.5895 -77.2847 212.203 -7.09047 51.9326 142.22 254.305 5.97508 -83.9535 PRESSAVG: 4889600 52.8781 -84.8719 18.8132 -84.872 -26.4217 9.59903 18.8132 9.59908 22.3087 GPRESSAVG: 4889600 52.9764 -82.6055 18.6866 -86.5648 -26.6984 9.28088 18.5746 8.83935 22.4394 TIMING: 4889600 CPU: 15464.6, 0.00319004/step Wall: 15464.6, 0.00319004/step, 0.0978279 hours remaining, 236.187500 MB of memory in use. ENERGY: 4889600 3934.9895 20592.3050 14547.4750 240.4753 -203207.9405 2403.9568 0.0000 0.0000 51965.9449 -109522.7941 298.6490 -161488.7389 -109172.8840 299.0131 -12.5942 16.8562 760620.9107 16.2550 16.2391 PRESSURE: 4889800 185.477 -218.159 -44.2986 -218.16 56.0156 -81.1661 -44.2991 -81.1666 276.936 GPRESSURE: 4889800 136.847 -235.593 -46.1999 -82.019 86.5033 -65.7764 -97.1103 -7.48717 379.459 PRESSAVG: 4889800 -7.94281 -59.021 44.3019 -59.021 20.3002 34.1108 44.3019 34.1109 7.87184 GPRESSAVG: 4889800 -6.64603 -58.1544 46.2829 -57.5678 18.2043 33.7337 43.8338 34.2497 8.55857 TIMING: 4889800 CPU: 15465.3, 0.00318448/step Wall: 15465.3, 0.00318448/step, 0.0974805 hours remaining, 236.187500 MB of memory in use. ENERGY: 4889800 3983.4117 20592.9763 14489.0399 228.4008 -203093.4702 2688.1723 0.0000 0.0000 51572.5338 -109538.9354 296.3881 -161111.4693 -109195.7887 298.3587 172.8095 200.9367 763444.8842 6.7431 6.7056 PRESSURE: 4890000 106.007 30.5407 145.102 30.5409 145.116 -2.68776 145.101 -2.68752 67.8483 GPRESSURE: 4890000 49.8096 -45.3015 118.05 39.9186 197.401 51.9283 29.3364 -106.815 146.168 PRESSAVG: 4890000 18.4336 -38.814 61.3928 -38.814 2.8328 -32.1819 61.3928 -32.1819 -8.269 GPRESSAVG: 4890000 16.9001 -39.4504 60.6187 -39.8642 4.81617 -30.2162 62.9772 -32.8407 -8.60994 TIMING: 4890000 CPU: 15465.9, 0.00318815/step Wall: 15465.9, 0.00318815/step, 0.0974156 hours remaining, 236.187500 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: 4890000 3975.0326 20459.1656 14522.3210 225.2889 -203086.2313 2610.9046 0.0000 0.0000 51783.9228 -109509.5958 297.6029 -161293.5186 -109144.5728 298.6304 106.3236 131.1259 764513.8881 4.3325 4.3688 PRESSURE: 4890200 -51.0829 4.55823 -157.574 4.55824 74.1544 -29.9399 -157.574 -29.9402 -245.436 GPRESSURE: 4890200 26.539 111.945 -136.551 -53.9028 106.252 -30.0726 -158.184 -58.6352 -283.61 PRESSAVG: 4890200 19.0359 -16.8203 -0.505687 -16.8203 -26.8827 -1.72776 -0.505695 -1.72778 -14.7779 GPRESSAVG: 4890200 20.1427 -16.8233 0.00349436 -17.0254 -27.9476 -1.44351 -1.69526 -2.47789 -14.4258 TIMING: 4890200 CPU: 15466.5, 0.00320069/step Wall: 15466.5, 0.0032007/step, 0.0976212 hours remaining, 236.187500 MB of memory in use. ENERGY: 4890200 3984.8459 20580.0222 14538.7230 248.1734 -203227.5549 2566.9311 0.0000 0.0000 51867.5366 -109441.3227 298.0834 -161308.8592 -109083.4545 298.4288 -74.1216 -50.2730 762357.2024 -7.5416 -7.4102 PRESSURE: 4890400 -629.005 72.0394 -79.1844 72.0396 -148.127 130.476 -79.1848 130.477 -285.117 GPRESSURE: 4890400 -543.675 71.0774 -100.305 22.1521 -110.568 140.47 -19.4632 141.935 -302.954 PRESSAVG: 4890400 -27.7257 -33.9233 -37.0492 -33.9233 15.2986 -46.4018 -37.0492 -46.4017 13.9309 GPRESSAVG: 4890400 -29.309 -35.6314 -35.0522 -30.9473 17.5656 -48.8019 -38.4031 -45.0932 13.2284 TIMING: 4890400 CPU: 15467.2, 0.00319347/step Wall: 15467.2, 0.00319347/step, 0.0972233 hours remaining, 236.187500 MB of memory in use. ENERGY: 4890400 3902.7899 20549.5252 14500.0036 245.7564 -202685.7052 2554.6117 0.0000 0.0000 51773.4276 -109159.5908 297.5426 -160933.0184 -108797.1389 299.3058 -354.0831 -319.0657 764407.9242 0.5013 0.4950 PRESSURE: 4890600 135.577 -142.672 -55.7432 -142.672 -528.827 -143.363 -55.7431 -143.362 -135.061 GPRESSURE: 4890600 93.4305 -147.454 -24.371 -101.792 -463.276 -157.937 -47.2545 -117.511 -59.6132 PRESSAVG: 4890600 -0.899174 -18.5962 -32.1241 -18.5963 36.6267 -0.445713 -32.1241 -0.445596 6.31554 GPRESSAVG: 4890600 -0.0327756 -16.9547 -36.3845 -21.1028 35.4537 -0.655761 -29.7862 0.16656 7.12516 TIMING: 4890600 CPU: 15467.8, 0.00319432/step Wall: 15467.8, 0.00319432/step, 0.097072 hours remaining, 236.187500 MB of memory in use. ENERGY: 4890600 4034.3147 20467.6423 14477.3872 249.8668 -202717.7640 2230.7962 0.0000 0.0000 52221.9233 -109035.8335 300.1201 -161257.7568 -108667.1649 299.5319 -176.1037 -143.1528 763580.6997 14.0144 14.1820 PRESSURE: 4890800 -58.5024 -11.605 97.2071 -11.6046 73.4527 -41.3946 97.2078 -41.3947 1.11191 GPRESSURE: 4890800 1.9961 -49.6125 27.3679 -35.7409 120.462 11.5137 165.373 -32.4349 -21.6426 PRESSAVG: 4890800 -55.8662 -44.4948 -4.20494 -44.4949 -4.94461 -10.8201 -4.20495 -10.8202 10.0228 GPRESSAVG: 4890800 -56.5293 -44.9667 -2.68127 -43.4098 -4.36751 -10.3692 -5.96572 -10.7599 9.25085 TIMING: 4890800 CPU: 15468.5, 0.003208/step Wall: 15468.5, 0.003208/step, 0.0973092 hours remaining, 236.187500 MB of memory in use. ENERGY: 4890800 4039.2046 20585.8417 14483.9442 251.7373 -203211.8608 2658.5171 0.0000 0.0000 51934.2351 -109258.3808 298.4668 -161192.6159 -108878.6460 299.6004 5.3541 33.6052 762025.3331 -16.9294 -17.2153 PRESSURE: 4891000 -498.61 -63.8793 116.694 -63.8785 17.1508 -171.92 116.693 -171.921 95.613 GPRESSURE: 4891000 -401.497 -8.55093 197.826 -96.5649 -12.1302 -111.999 133.123 -292.978 124.424 PRESSAVG: 4891000 39.9917 -25.6473 32.8786 -25.6472 -50.387 -38.9083 32.8786 -38.9084 1.15142 GPRESSAVG: 4891000 40.9433 -26.0574 31.6049 -25.4531 -50.3909 -37.4096 36.412 -42.7276 -0.032249 TIMING: 4891000 CPU: 15469.1, 0.00320756/step Wall: 15469.1, 0.00320756/step, 0.0971179 hours remaining, 236.187500 MB of memory in use. ENERGY: 4891000 4029.4459 20537.5609 14459.0028 256.0452 -203253.8231 2750.8863 0.0000 0.0000 51887.3188 -109333.5632 298.1971 -161220.8820 -108978.2082 299.2334 -128.6154 -96.4009 763451.6147 -3.0813 -3.1599 PRESSURE: 4891200 -172.403 -52.4127 -43.1877 -52.4133 -147.293 218.282 -43.1867 218.282 35.1973 GPRESSURE: 4891200 -107.347 86.5813 -111.997 -194.229 -123.38 149.612 -33.4727 335.175 5.22737 PRESSAVG: 4891200 46.7785 -50.6683 7.54489 -50.6683 -33.9438 -7.33803 7.54484 -7.33803 31.2658 GPRESSAVG: 4891200 45.5887 -49.9527 8.68269 -51.7323 -33.3101 -9.08937 6.22758 -4.12679 31.5404 TIMING: 4891200 CPU: 15469.7, 0.00319625/step Wall: 15469.7, 0.00319625/step, 0.0965978 hours remaining, 236.187500 MB of memory in use. ENERGY: 4891200 3945.3972 20518.2551 14496.1365 252.6918 -203217.6412 2543.8021 0.0000 0.0000 52212.2735 -109249.0850 300.0647 -161461.3585 -108876.5103 299.5209 -94.8327 -75.1666 761217.4790 14.7002 14.6063 PRESSURE: 4891400 112.028 86.6811 45.2867 86.6808 -8.32049 -72.5501 45.2875 -72.5484 -118.357 GPRESSURE: 4891400 213.674 -8.27891 -12.3664 53.3935 -86.6207 -35.9348 -20.203 -111.464 -71.5965 PRESSAVG: 4891400 41.4027 -8.9653 1.51605 -8.96523 -45.3611 -14.3299 1.51605 -14.3299 -17.1784 GPRESSAVG: 4891400 41.8267 -9.61295 0.143448 -8.90986 -46.3366 -12.7739 2.27463 -14.7528 -16.9011 TIMING: 4891400 CPU: 15470.4, 0.00319242/step Wall: 15470.4, 0.00319242/step, 0.0963047 hours remaining, 236.187500 MB of memory in use. ENERGY: 4891400 3929.5716 20288.7736 14531.3818 249.0094 -202971.4544 2632.2312 0.0000 0.0000 51999.9857 -109340.5010 298.8446 -161340.4867 -108966.9034 298.9146 -4.8831 18.4854 761727.2717 -7.0456 -7.1370 PRESSURE: 4891600 91.7104 33.8695 -180.87 33.8699 -409.442 -133.041 -180.871 -133.041 -363.377 GPRESSURE: 4891600 43.3701 -68.1889 -162.627 106.711 -247.664 -273.476 -241.58 83.0629 -391.872 PRESSAVG: 4891600 92.9541 -47.3499 2.7967 -47.3499 -98.5999 -67.6625 2.79666 -67.6625 -6.80314 GPRESSAVG: 4891600 94.3298 -45.6033 4.88769 -47.0573 -98.9817 -68.6602 2.03285 -67.609 -7.33623 TIMING: 4891600 CPU: 15471, 0.0031903/step Wall: 15471, 0.00319031/step, 0.0960636 hours remaining, 236.187500 MB of memory in use. ENERGY: 4891600 4042.1903 20613.9699 14431.1191 250.0459 -202993.9693 2438.1273 0.0000 0.0000 51838.5411 -109379.9757 297.9168 -161218.5168 -109026.9642 299.1641 -227.0361 -198.7217 761647.7592 -4.1497 -3.9961 PRESSURE: 4891800 57.2184 44.1631 385.628 44.1634 427.126 -52.2469 385.627 -52.2469 47.6763 GPRESSURE: 4891800 110.112 -65.2821 356.868 -49.9468 376.528 -58.4477 113.738 100.586 140.458 PRESSAVG: 4891800 40.7739 -65.7164 -61.5927 -65.7163 -37.6471 13.7574 -61.5927 13.7572 -0.319702 GPRESSAVG: 4891800 40.0702 -66.5433 -63.3139 -64.3523 -37.8913 16.3577 -62.1862 13.1008 0.193804 TIMING: 4891800 CPU: 15471.6, 0.0031823/step Wall: 15471.6, 0.0031823/step, 0.0956459 hours remaining, 236.187500 MB of memory in use. ENERGY: 4891800 4004.1720 20640.4066 14470.0837 226.5789 -203416.2328 2805.1953 0.0000 0.0000 52045.7201 -109224.0762 299.1075 -161269.7963 -108865.5237 299.3783 177.3403 209.0326 761939.9901 0.9357 0.7909 PRESSURE: 4892000 383.807 136.574 -36.4502 136.575 -52.3409 -263.176 -36.4498 -263.177 -112.525 GPRESSURE: 4892000 349.368 89.272 -50.9552 31.4719 47.2975 -188.759 143.488 -245.605 -102.213 PRESSAVG: 4892000 31.6254 -48.7553 14.3447 -48.7553 -16.1781 -7.99136 14.3447 -7.99139 14.4179 GPRESSAVG: 4892000 29.9305 -49.9102 15.5974 -50.3461 -15.2393 -8.90218 15.1759 -6.14313 15.2015 TIMING: 4892000 CPU: 15472.3, 0.00319179/step Wall: 15472.3, 0.00319179/step, 0.0957536 hours remaining, 236.187500 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: 4892000 4011.0894 20530.8105 14479.8741 247.9282 -202903.5715 2431.4705 0.0000 0.0000 52171.2377 -109031.1612 299.8288 -161202.3988 -108663.3108 300.0117 72.9805 98.1507 762928.0872 9.9550 9.9643 PRESSURE: 4892200 -120.396 379.103 130.373 379.104 68.2672 -32.0886 130.374 -32.0887 279.101 GPRESSURE: 4892200 -27.8606 344.531 73.1116 398.098 64.305 4.05676 31.1418 -66.9432 273.626 PRESSAVG: 4892200 30.8634 28.5803 -3.26048 28.5803 -57.8731 -67.5169 -3.2605 -67.5168 -23.9095 GPRESSAVG: 4892200 30.7713 28.5933 -4.49912 30.2178 -56.8626 -69.3276 -2.28782 -68.2591 -24.8478 TIMING: 4892200 CPU: 15472.9, 0.00316814/step Wall: 15472.9, 0.00316814/step, 0.0948683 hours remaining, 236.187500 MB of memory in use. ENERGY: 4892200 4002.4202 20714.0319 14506.6858 242.7088 -202879.1586 2487.9427 0.0000 0.0000 52001.1917 -108924.1773 298.8516 -160925.3690 -108560.1229 300.1935 75.6573 103.3567 762600.2428 -16.9731 -16.9797 LDB: ============= START OF LOAD BALANCING ============== 15485.5 LDB: ============== END OF LOAD BALANCING =============== 15485.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15485.5 LDB: ============= START OF LOAD BALANCING ============== 15485.8 LDB: Largest compute 7076 load 0.036174 is 18.5% of average load 0.195699 LDB: Average compute 0.004402 is 2.2% of average load 0.195699 LDB: TIME 15485.8 LOAD: AVG 0.195699 MAX 0.215094 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.824 MB LDB: TIME 15485.8 LOAD: AVG 0.195699 MAX 0.215094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.824 MB LDB: TIME 15485.8 LOAD: AVG 0.195699 MAX 0.215094 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.824 MB LDB: ============== END OF LOAD BALANCING =============== 15485.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15485.8 PRESSURE: 4892400 159.388 -185.212 126.521 -185.212 268.147 18.1105 126.521 18.1105 192.851 GPRESSURE: 4892400 121.416 -190.937 84.143 -215.419 358.595 113.293 187.89 -49.7321 228.607 PRESSAVG: 4892400 31.9962 11.8564 2.26866 11.8564 0.9452 -18.4731 2.26867 -18.4731 -6.28309 GPRESSAVG: 4892400 32.6694 12.941 2.49171 11.8189 0.0490719 -18.104 -0.752862 -17.5209 -5.89048 TIMING: 4892400 CPU: 15473.6, 0.0032556/step Wall: 15473.6, 0.0032556/step, 0.0973062 hours remaining, 237.195312 MB of memory in use. ENERGY: 4892400 3953.7149 20578.8422 14494.7025 244.3430 -202945.3607 2502.7014 0.0000 0.0000 52250.2765 -108920.7803 300.2831 -161171.0568 -108554.4618 300.0784 206.7955 236.2060 761797.3632 8.8861 8.9427 PRESSURE: 4892600 181.219 -158.79 1.47453 -158.79 82.315 -458.201 1.47419 -458.201 -226.653 GPRESSURE: 4892600 258.441 -91.2492 -38.0838 -173.797 91.4778 -432.653 135.592 -378.086 -216.191 PRESSAVG: 4892600 25.9379 11.8778 44.271 11.8779 -43.3243 -20.4355 44.271 -20.4355 3.69533 GPRESSAVG: 4892600 26.7597 11.416 44.1573 12.4071 -43.1495 -20.823 46.7701 -21.4127 3.26297 TIMING: 4892600 CPU: 15474.2, 0.00317527/step Wall: 15474.2, 0.00317528/step, 0.0947291 hours remaining, 237.320312 MB of memory in use. ENERGY: 4892600 4016.8774 20629.6946 14426.2139 243.2526 -203241.2657 2767.7318 0.0000 0.0000 52123.8691 -109033.6264 299.5566 -161157.4955 -108677.2765 299.6809 12.2935 44.5760 762012.6321 -4.5637 -4.3756 PRESSURE: 4892800 -311.321 -264.304 -178.933 -264.304 -24.1703 -208.662 -178.934 -208.662 96.4991 GPRESSURE: 4892800 -197.728 -235.154 -170.398 -124.195 -37.2503 -101.44 -213.986 -96.763 81.8348 PRESSAVG: 4892800 -22.5172 -20.3693 -33.1193 -20.3693 28.19 -21.1054 -33.1193 -21.1053 0.1669 GPRESSAVG: 4892800 -20.8432 -21.231 -33.6038 -20.4185 28.037 -20.4524 -35.3017 -19.9507 -0.716021 TIMING: 4892800 CPU: 15474.8, 0.00315684/step Wall: 15474.8, 0.00315684/step, 0.0940036 hours remaining, 237.355469 MB of memory in use. ENERGY: 4892800 3911.3884 20482.8741 14433.9323 260.3726 -202843.7407 2348.4535 0.0000 0.0000 52266.9742 -109139.7455 300.3790 -161406.7197 -108772.2020 299.7112 -79.6642 -51.0479 762606.9474 1.9466 2.1592 PRESSURE: 4893000 131.54 259.883 135.67 259.883 -203.702 21.2097 135.669 21.2097 250.369 GPRESSURE: 4893000 178.553 199.934 131.127 257.426 -172.467 -106.817 228.823 73.6744 270.39 PRESSAVG: 4893000 -7.44232 -57.3563 -0.269579 -57.3563 12.78 12.6291 -0.269572 12.6291 -10.1387 GPRESSAVG: 4893000 -8.65204 -55.7262 -0.434361 -58.6724 11.6877 11.4528 0.415187 10.673 -8.10671 TIMING: 4893000 CPU: 15475.5, 0.00318975/step Wall: 15475.5, 0.00318975/step, 0.0948066 hours remaining, 237.355469 MB of memory in use. ENERGY: 4893000 4011.9004 20583.5839 14504.7802 240.5286 -202897.0104 2301.9511 0.0000 0.0000 51782.7748 -109471.4914 297.5963 -161254.2662 -109114.1267 299.1138 59.4023 92.1588 761988.7142 -1.6004 -1.6903 PRESSURE: 4893200 -320.748 -146.877 91.5354 -146.877 69.6967 -118.49 91.535 -118.491 -60.5015 GPRESSURE: 4893200 -264.901 -119.958 22.9679 -225.819 104.789 -63.3132 151.441 -97.4572 -101.835 PRESSAVG: 4893200 13.2705 12.9113 19.91 12.9113 -0.174457 7.60455 19.9101 7.60452 2.60405 GPRESSAVG: 4893200 12.985 13.3815 18.4445 14.0191 1.05634 8.63461 20.5669 7.11199 1.0078 TIMING: 4893200 CPU: 15476.1, 0.00318465/step Wall: 15476.1, 0.00318465/step, 0.0944779 hours remaining, 237.355469 MB of memory in use. ENERGY: 4893200 4056.9160 20393.6278 14509.6661 273.1435 -203272.1647 2440.1724 0.0000 0.0000 52202.0424 -109396.5964 300.0059 -161598.6388 -109034.5820 298.9746 -103.8508 -87.3159 761516.8453 5.2334 5.0164 PRESSURE: 4893400 157.909 -3.13622 -267.235 -3.13668 -277.099 1.98749 -267.236 1.98798 169.29 GPRESSURE: 4893400 110.732 98.9008 -102.532 -11.2718 -132.773 52.0426 -224.757 26.9959 162.705 PRESSAVG: 4893400 -15.8602 24.1833 -43.1754 24.1833 47.2073 -16.3191 -43.1754 -16.3192 2.49162 GPRESSAVG: 4893400 -14.7024 24.3149 -39.5993 25.3524 46.6807 -16.2317 -42.6006 -14.1536 1.57084 TIMING: 4893400 CPU: 15476.8, 0.00319641/step Wall: 15476.8, 0.00319641/step, 0.0946492 hours remaining, 237.355469 MB of memory in use. ENERGY: 4893400 3969.1308 20630.4418 14388.4328 241.9449 -203410.9249 2660.3436 0.0000 0.0000 52015.4048 -109505.2262 298.9332 -161520.6310 -109145.1475 298.7272 16.7003 46.8878 762163.2409 11.2796 11.1830 PRESSURE: 4893600 -57.7428 -130.218 51.4639 -130.218 -85.5917 159.543 51.4649 159.544 -20.7489 GPRESSURE: 4893600 2.46792 -126.919 42.3245 -105.094 -35.8726 209.629 24.3354 73.3176 -38.9182 PRESSAVG: 4893600 -34.8773 -41.0375 5.69259 -41.0375 18.4568 -19.3213 5.69261 -19.3214 -27.7574 GPRESSAVG: 4893600 -36.3727 -41.4885 3.9421 -43.2039 18.1984 -20.6283 4.01181 -20.2481 -25.7855 TIMING: 4893600 CPU: 15477.4, 0.00320228/step Wall: 15477.4, 0.00320228/step, 0.0946453 hours remaining, 237.355469 MB of memory in use. ENERGY: 4893600 4013.4451 20539.0268 14461.7932 256.1733 -203107.6943 2361.4466 0.0000 0.0000 52023.7649 -109452.0443 298.9813 -161475.8092 -109099.7632 299.2857 -54.6945 -24.1076 761485.6252 -14.7260 -14.6533 PRESSURE: 4893800 69.8277 -100.334 -66.5124 -100.335 56.9058 -105.81 -66.5129 -105.81 -312.082 GPRESSURE: 4893800 54.6814 -55.2858 38.3635 -132.68 135.843 -121.832 -12.2386 113.273 -305.752 PRESSAVG: 4893800 -45.0725 -26.5505 0.0418175 -26.5505 37.9363 -49.5902 0.0418067 -49.5903 -11.5915 GPRESSAVG: 4893800 -43.8481 -27.7766 -1.56261 -24.9919 37.9608 -47.71 0.35346 -49.3086 -13.0844 TIMING: 4893800 CPU: 15478, 0.00320949/step Wall: 15478, 0.00320949/step, 0.0946798 hours remaining, 237.355469 MB of memory in use. ENERGY: 4893800 4039.7136 20708.4012 14519.4920 231.1080 -203510.8440 2632.5263 0.0000 0.0000 51993.9591 -109385.6438 298.8100 -161379.6029 -109025.0588 299.3974 -61.7830 -38.4092 761866.6716 -6.2426 -6.3239 PRESSURE: 4894000 -124.443 16.8092 3.8599 16.8095 281.497 7.94985 3.85988 7.94921 -47.2943 GPRESSURE: 4894000 -0.534991 11.4024 77.6076 73.4653 175.999 67.7302 -126.931 83.7062 1.80682 PRESSAVG: 4894000 1.04138 42.5687 -6.73977 42.5687 -7.00725 -0.0487406 -6.73976 -0.0487452 19.1288 GPRESSAVG: 4894000 -0.718281 44.6821 -5.62996 42.5781 -6.62479 0.67954 -7.24936 0.884113 19.6527 TIMING: 4894000 CPU: 15478.7, 0.00317581/step Wall: 15478.7, 0.00317581/step, 0.09351 hours remaining, 237.355469 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: 4894000 4015.7886 20711.5774 14522.0759 238.2644 -203517.7379 2935.8464 0.0000 0.0000 51943.5837 -109150.6015 298.5205 -161094.1852 -108796.0945 299.7626 36.5866 59.0902 762972.9828 4.3876 4.1032 PRESSURE: 4894200 -261.841 91.9441 11.0039 91.9446 95.8274 189.276 11.0038 189.276 -197.704 GPRESSURE: 4894200 -212.668 28.9484 14.737 96.4352 79.7766 272.603 -7.04585 27.332 -151.518 PRESSAVG: 4894200 -20.8635 -0.161379 -11.934 -0.161367 10.8034 42.8439 -11.934 42.8439 5.54681 GPRESSAVG: 4894200 -19.1823 -0.479836 -11.1948 1.19917 9.80162 42.4609 -9.92668 43.0558 4.65017 TIMING: 4894200 CPU: 15479.3, 0.00317461/step Wall: 15479.3, 0.00317461/step, 0.0932982 hours remaining, 237.355469 MB of memory in use. ENERGY: 4894200 3986.1949 20472.5028 14486.7484 258.9423 -203393.8144 2587.1458 0.0000 0.0000 52067.9213 -109534.3589 299.2351 -161602.2802 -109171.5324 299.5219 -121.2392 -94.8031 762812.1615 -1.5044 -1.5768 PRESSURE: 4894400 48.6264 178.581 277.021 178.581 -49.8551 80.7982 277.021 80.7983 247.045 GPRESSURE: 4894400 36.9734 136.804 328.137 166.04 36.1557 45.9063 268.738 6.29506 258.079 PRESSAVG: 4894400 -6.13212 72.9267 27.5059 72.9267 6.06364 24.9772 27.5059 24.9773 -0.451706 GPRESSAVG: 4894400 -6.49307 72.1985 26.7063 72.1427 6.25769 24.0241 27.3747 23.9336 -0.30384 TIMING: 4894400 CPU: 15479.9, 0.00318661/step Wall: 15479.9, 0.00318661/step, 0.0934738 hours remaining, 237.355469 MB of memory in use. ENERGY: 4894400 3920.0829 20640.6364 14486.9760 262.7321 -203399.9480 2573.4922 0.0000 0.0000 51784.7926 -109731.2358 297.6079 -161516.0284 -109372.3320 298.7041 81.9387 110.4026 762405.2828 -0.1734 -0.1797 PRESSURE: 4894600 -40.1156 -7.06655 -124.008 -7.06766 -123.032 -106.931 -124.008 -106.932 108.605 GPRESSURE: 4894600 74.2093 44.8466 -194.359 -7.14168 -135.962 -164.558 -136.485 -56.3104 93.1587 PRESSAVG: 4894600 45.3372 54.1925 5.40037 54.1925 -54.735 -7.64561 5.40038 -7.64562 -2.22142 GPRESSAVG: 4894600 45.0671 55.4061 5.05649 52.5833 -55.2023 -7.32093 6.82729 -8.34025 -1.70576 TIMING: 4894600 CPU: 15480.6, 0.0031614/step Wall: 15480.6, 0.0031614/step, 0.0925586 hours remaining, 237.355469 MB of memory in use. ENERGY: 4894600 4032.2876 20610.0081 14519.3255 262.3223 -203870.8018 2584.5122 0.0000 0.0000 52183.6478 -109678.6984 299.9001 -161862.3462 -109323.1509 298.6413 -18.1807 10.4686 760806.1543 -3.8731 -3.9470 PRESSURE: 4894800 100.087 -206.103 94.0004 -206.103 164.182 -68.0989 94.0005 -68.0988 -205.632 GPRESSURE: 4894800 153.501 -253.801 43.0132 -81.6571 203.903 -73.9074 207.278 -37.7141 -204.32 PRESSAVG: 4894800 -8.45864 21.1421 18.9811 21.1422 0.499067 -13.9108 18.9812 -13.9108 8.03894 GPRESSAVG: 4894800 -9.34836 19.2524 18.4511 22.5094 0.964995 -12.9468 18.4255 -12.1478 9.02695 TIMING: 4894800 CPU: 15481.2, 0.00318822/step Wall: 15481.2, 0.00318822/step, 0.0931668 hours remaining, 237.355469 MB of memory in use. ENERGY: 4894800 4034.8660 20502.5614 14457.7791 253.1804 -203810.8302 2920.5622 0.0000 0.0000 51960.6648 -109681.2163 298.6187 -161641.8811 -109318.5229 298.6096 19.5456 51.0279 761747.9658 0.0265 0.2145 PRESSURE: 4895000 -255.256 94.8464 117.021 94.8454 -54.6503 -167.761 117.021 -167.76 -70.2879 GPRESSURE: 4895000 -239.08 66.61 162.331 123.896 10.5046 -198.896 82.4017 -166.292 -73.8402 PRESSAVG: 4895000 57.4512 -9.31625 82.789 -9.31632 -35.135 21.4805 82.789 21.4805 -27.4353 GPRESSAVG: 4895000 58.5974 -8.74109 84.6256 -9.87916 -33.6287 22.0395 81.6969 20.7055 -30.2116 TIMING: 4895000 CPU: 15481.8, 0.00317414/step Wall: 15481.8, 0.00317414/step, 0.092579 hours remaining, 237.355469 MB of memory in use. ENERGY: 4895000 3960.5001 20722.3798 14484.8167 257.4044 -203448.3468 2413.3538 0.0000 0.0000 51918.9697 -109690.9223 298.3790 -161609.8920 -109323.0559 298.6529 -126.7313 -100.8053 761381.7955 -1.7064 -1.7476 PRESSURE: 4895200 -33.7006 -110.119 15.2103 -110.119 -19.5295 -202.924 15.2106 -202.923 175.315 GPRESSURE: 4895200 86.0122 -171.18 126.854 -152.605 -85.9965 -106.461 28.9049 -202.739 205.412 PRESSAVG: 4895200 -17.2362 -27.4503 28.8361 -27.4504 4.34413 2.80971 28.8361 2.80963 3.57475 GPRESSAVG: 4895200 -17.1808 -27.4756 27.171 -27.5658 4.06758 1.95417 29.5398 1.09859 4.44859 TIMING: 4895200 CPU: 15482.5, 0.00318458/step Wall: 15482.5, 0.00318458/step, 0.0927066 hours remaining, 237.355469 MB of memory in use. ENERGY: 4895200 4062.8458 20530.1779 14550.6090 230.8968 -203377.7129 2548.5381 0.0000 0.0000 51969.5145 -109485.1308 298.6695 -161454.6452 -109122.4379 298.9746 40.6949 68.4758 761671.7637 -3.1058 -2.8882 PRESSURE: 4895400 -160.597 73.6957 185.403 73.6953 119.777 58.3616 185.404 58.3618 -81.5682 GPRESSURE: 4895400 -101.064 127.814 88.2143 106.123 97.3856 79.6825 166.097 -24.0586 -36.3438 PRESSAVG: 4895400 -7.6911 -10.9618 30.2975 -10.9617 21.9718 -0.654121 30.2975 -0.654178 -20.8054 GPRESSAVG: 4895400 -8.00264 -11.3063 30.8013 -10.012 20.9863 0.0770093 31.4872 1.04514 -19.3255 TIMING: 4895400 CPU: 15483.1, 0.00318536/step Wall: 15483.1, 0.00318536/step, 0.0925523 hours remaining, 237.355469 MB of memory in use. ENERGY: 4895400 3965.4972 20522.2631 14493.1395 247.5386 -203564.2987 2768.3011 0.0000 0.0000 52036.4189 -109531.1404 299.0540 -161567.5593 -109159.7180 299.0184 -40.7960 -13.3406 761653.4507 -2.1749 -2.1139 PRESSURE: 4895600 -32.6701 -298.181 -70.0794 -298.182 320.797 -158.732 -70.0794 -158.733 359.486 GPRESSURE: 4895600 -17.6797 -243.459 -52.8348 -308.223 369.353 -99.1787 -117.489 -74.1311 377.066 PRESSAVG: 4895600 -41.0714 1.84043 -38.0961 1.84043 30.007 -12.0846 -38.0961 -12.0847 -5.88986 GPRESSAVG: 4895600 -40.8541 1.54747 -36.5458 1.49362 30.1649 -12.6487 -38.9729 -11.6404 -6.19513 TIMING: 4895600 CPU: 15483.8, 0.00317893/step Wall: 15483.8, 0.00317893/step, 0.0921888 hours remaining, 237.355469 MB of memory in use. ENERGY: 4895600 4015.3555 20595.6704 14460.2468 254.8834 -203048.7302 2531.3296 0.0000 0.0000 52157.2587 -109033.9859 299.7485 -161191.2446 -108672.5768 299.4941 215.8711 242.9133 762807.0502 -5.6514 -5.6281 PRESSURE: 4895800 190.155 196.1 146.92 196.1 14.0476 44.3289 146.92 44.3276 -27.9218 GPRESSURE: 4895800 262.252 141.071 147.3 220.816 11.0126 -49.2754 143.663 169.072 -20.2929 PRESSAVG: 4895800 -0.0438433 -23.2387 -27.7386 -23.2388 16.348 18.4817 -27.7386 18.4816 -27.6025 GPRESSAVG: 4895800 1.02583 -24.4258 -29.4222 -21.2211 15.6487 16.401 -27.5573 19.7352 -27.4251 TIMING: 4895800 CPU: 15484.4, 0.00318991/step Wall: 15484.4, 0.00318991/step, 0.0923302 hours remaining, 237.460938 MB of memory in use. ENERGY: 4895800 4030.9607 20671.7324 14537.8853 261.3612 -203603.2295 2632.5664 0.0000 0.0000 52200.4926 -109268.2309 299.9969 -161468.7235 -108900.7597 299.5922 58.7604 84.3239 760655.1669 -3.7661 -3.5835 PRESSURE: 4896000 -241.486 -9.56098 67.6513 -9.56187 -360.927 -57.4909 67.6511 -57.4906 -292.856 GPRESSURE: 4896000 -234.409 8.18248 34.4706 64.3221 -315.432 -36.2992 60.8971 -8.51186 -250.253 PRESSAVG: 4896000 -3.54534 5.59547 38.5515 5.59553 -48.8092 20.7997 38.5515 20.7997 -19.1429 GPRESSAVG: 4896000 -5.55274 7.52546 38.3151 3.38681 -47.1933 21.7975 39.309 21.3125 -18.6141 TIMING: 4896000 CPU: 15485, 0.00319432/step Wall: 15485, 0.00319432/step, 0.0922804 hours remaining, 237.460938 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: 4896000 4060.9024 20621.4806 14515.7271 237.3865 -203606.0695 2646.5008 0.0000 0.0000 52231.4611 -109292.6111 300.1749 -161524.0721 -108929.4172 299.5232 -298.4229 -266.6982 760907.0617 -23.8325 -23.7867 PRESSURE: 4896200 -36.3364 46.0748 85.8543 46.0758 -182.939 -27.5321 85.8558 -27.5317 93.3509 GPRESSURE: 4896200 10.02 223.215 131.48 58.2901 -112.691 82.883 22.0006 -62.8328 43.3749 PRESSAVG: 4896200 30.6634 21.703 57.4507 21.703 -0.0672642 46.044 57.4508 46.044 29.8321 GPRESSAVG: 4896200 31.8188 22.1649 55.9091 21.1772 0.406258 47.0484 56.93 45.4764 28.2996 TIMING: 4896200 CPU: 15485.7, 0.0032005/step Wall: 15485.7, 0.0032005/step, 0.092281 hours remaining, 237.460938 MB of memory in use. ENERGY: 4896200 3953.8629 20441.4015 14614.4975 254.5660 -202958.1641 2431.6388 0.0000 0.0000 51879.0762 -109383.1213 298.1498 -161262.1974 -109002.5760 299.7099 -41.9748 -19.7653 760848.5244 20.1427 20.1749 LDB: ============= START OF LOAD BALANCING ============== 15498.2 LDB: ============== END OF LOAD BALANCING =============== 15498.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15498.2 LDB: ============= START OF LOAD BALANCING ============== 15498.5 LDB: Largest compute 7067 load 0.036776 is 18.8% of average load 0.195533 LDB: Average compute 0.004418 is 2.3% of average load 0.195533 LDB: TIME 15498.5 LOAD: AVG 0.195533 MAX 0.215706 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.676 MB LDB: TIME 15498.5 LOAD: AVG 0.195533 MAX 0.215706 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: TIME 15498.5 LOAD: AVG 0.195533 MAX 0.215706 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.879 MB LDB: ============== END OF LOAD BALANCING =============== 15498.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15498.5 PRESSURE: 4896400 -14.1337 -56.2117 134.906 -56.2109 -51.0969 -156.941 134.906 -156.941 47.6206 GPRESSURE: 4896400 88.8295 -64.8496 63.2304 -99.5244 -102.313 -137.048 92.5445 -223.033 75.0391 PRESSAVG: 4896400 -0.628091 -9.72985 44.1327 -9.72983 -15.6433 20.2372 44.1327 20.2372 13.0445 GPRESSAVG: 4896400 1.75266 -9.43878 46.3649 -10.3234 -17.2001 21.1902 44.4831 18.7827 12.7842 TIMING: 4896400 CPU: 15486.3, 0.00327135/step Wall: 15486.3, 0.00327135/step, 0.094142 hours remaining, 236.988281 MB of memory in use. ENERGY: 4896400 4022.7890 20653.4903 14531.9568 244.8826 -203679.7958 2901.1744 0.0000 0.0000 51872.5544 -109452.9483 298.1123 -161325.5028 -109084.6226 299.5005 -5.8700 20.5186 760877.9541 -1.0756 -0.8878 PRESSURE: 4896600 -78.5249 182.439 -15.9394 182.438 -588.191 -31.6756 -15.9399 -31.6762 660.455 GPRESSURE: 4896600 -154.848 218.263 12.3579 71.7784 -417.604 -60.1219 104.739 -45.3011 643.404 PRESSAVG: 4896600 9.37002 0.457133 31.953 0.457173 -6.11471 14.8121 31.9529 14.8121 9.15311 GPRESSAVG: 4896600 6.96687 1.52071 33.8527 -0.253152 -4.39561 11.7249 29.9794 15.3096 9.79477 TIMING: 4896600 CPU: 15487, 0.00321625/step Wall: 15487, 0.00321625/step, 0.0923777 hours remaining, 236.988281 MB of memory in use. ENERGY: 4896600 4052.6650 20478.2921 14521.7551 249.8418 -203701.8601 2605.6975 0.0000 0.0000 52228.3847 -109565.2239 300.1572 -161793.6086 -109195.4044 299.0021 -2.0871 23.6507 761155.3435 4.1361 4.1220 PRESSURE: 4896800 130.067 -214.324 -13.1966 -214.325 171.074 148.057 -13.1958 148.057 -250.632 GPRESSURE: 4896800 232.752 -157.734 -49.7534 -116.495 112.088 180.923 133.264 62.8656 -201.462 PRESSAVG: 4896800 19.5293 -25.6979 24.1536 -25.6979 -18.0551 11.2664 24.1536 11.2663 -12.9967 GPRESSAVG: 4896800 20.2383 -27.8136 21.0489 -23.4179 -19.157 10.3625 26.7798 10.7266 -12.2472 TIMING: 4896800 CPU: 15487.6, 0.00321196/step Wall: 15487.6, 0.00321196/step, 0.0920762 hours remaining, 236.988281 MB of memory in use. ENERGY: 4896800 4054.5143 20663.9541 14515.2747 246.2118 -203726.2613 2820.0146 0.0000 0.0000 52207.8345 -109218.4573 300.0391 -161426.2918 -108858.6819 299.7144 16.8363 47.7927 760948.8772 -3.8408 -3.7219 PRESSURE: 4897000 172.449 253.256 -239.595 253.255 -157.327 105.613 -239.595 105.614 299.974 GPRESSURE: 4897000 133.097 225.751 -188.19 245.373 -65.7566 54.4939 -267.571 218.125 353.898 PRESSAVG: 4897000 45.9513 -12.7804 14.5963 -12.7804 -61.2776 49.0073 14.5964 49.0073 14.8704 GPRESSAVG: 4897000 45.11 -10.5856 16.6464 -14.3213 -60.4093 50.531 12.7892 49.1344 14.6854 TIMING: 4897000 CPU: 15488.3, 0.00320752/step Wall: 15488.3, 0.00320752/step, 0.0917707 hours remaining, 236.988281 MB of memory in use. ENERGY: 4897000 4022.7467 20550.6664 14578.0166 251.3928 -203558.9651 2578.3984 0.0000 0.0000 52303.1187 -109274.6256 300.5867 -161577.7443 -108917.3217 299.4536 105.0320 140.4128 760899.3001 -0.1520 -0.2047 PRESSURE: 4897200 238.827 52.4181 -13.9256 52.4181 -153.739 58.1282 -13.9258 58.1277 177.901 GPRESSURE: 4897200 246.91 83.6558 29.7487 -12.8165 -67.7004 92.9594 -23.9749 111.435 159.19 PRESSAVG: 4897200 18.007 -27.1858 47.1567 -27.1858 3.57982 69.1534 47.1567 69.1535 -19.823 GPRESSAVG: 4897200 18.3288 -28.5469 46.6618 -25.5629 4.91866 70.0974 47.7831 69.8894 -21.0636 TIMING: 4897200 CPU: 15488.9, 0.00320977/step Wall: 15488.9, 0.00320977/step, 0.0916567 hours remaining, 236.988281 MB of memory in use. ENERGY: 4897200 4010.2208 20673.0837 14562.4535 254.6204 -203589.9185 2803.7080 0.0000 0.0000 52073.3746 -109212.4576 299.2664 -161285.8322 -108855.8898 299.6254 87.6630 112.7999 761191.0314 0.5879 0.7280 PRESSURE: 4897400 165.646 -126.309 253.188 -126.309 -131.399 16.5245 253.189 16.5253 143.085 GPRESSURE: 4897400 166.577 -172.042 229.386 -57.3712 -127.27 -16.533 277.918 9.52509 204.981 PRESSAVG: 4897400 -13.0361 -22.4097 -19.0754 -22.4097 -16.2374 58.0014 -19.0754 58.0015 13.9077 GPRESSAVG: 4897400 -13.2749 -21.2099 -19.1135 -23.3151 -16.9784 58.1144 -20.1845 57.2359 14.5121 TIMING: 4897400 CPU: 15489.5, 0.00320281/step Wall: 15489.5, 0.0032028/step, 0.0912799 hours remaining, 236.988281 MB of memory in use. ENERGY: 4897400 3998.6122 20587.3477 14508.4605 256.1047 -203446.2204 2855.8228 0.0000 0.0000 51948.7956 -109291.0769 298.5504 -161239.8724 -108937.3787 299.6732 59.1106 81.4294 761320.8448 -5.1219 -5.2471 PRESSURE: 4897600 -199.141 -312.322 -80.2129 -312.322 96.1174 -101.293 -80.2119 -101.294 431.41 GPRESSURE: 4897600 -156.493 -277.711 -61.3074 -294.962 158.29 -33.602 -114.975 -12.9514 420.734 PRESSAVG: 4897600 9.70925 -42.5368 20.7501 -42.5367 -28.6254 13.4711 20.7501 13.4712 -3.69111 GPRESSAVG: 4897600 9.94622 -43.0894 19.5377 -42.6604 -29.4216 13.8757 21.3204 13.1713 -3.12363 TIMING: 4897600 CPU: 15490.2, 0.00320089/step Wall: 15490.2, 0.00320089/step, 0.0910474 hours remaining, 236.988281 MB of memory in use. ENERGY: 4897600 3919.1831 20427.6725 14488.4527 246.3396 -203094.6236 2451.7534 0.0000 0.0000 52036.6055 -109524.6168 299.0551 -161561.2223 -109156.1898 298.9489 109.4620 140.8437 761002.3921 -7.5358 -7.5330 PRESSURE: 4897800 -71.9025 3.03856 193.457 3.03806 -268.901 -0.0814211 193.457 -0.0818816 -293.926 GPRESSURE: 4897800 -4.17879 -103.776 93.3935 -19.646 -284.463 -51.6498 308.661 16.1556 -254.513 PRESSAVG: 4897800 -0.0733958 -64.4301 -17.8962 -64.4301 -14.7317 -27.0692 -17.8962 -27.0692 -25.1499 GPRESSAVG: 4897800 0.605937 -65.1803 -16.2964 -64.2581 -14.7194 -27.3285 -19.0431 -26.5501 -25.9523 TIMING: 4897800 CPU: 15490.8, 0.00322405/step Wall: 15490.8, 0.00322405/step, 0.0915271 hours remaining, 236.988281 MB of memory in use. ENERGY: 4897800 3943.7343 20622.7036 14518.5889 240.5117 -203306.4745 2407.3097 0.0000 0.0000 51956.4706 -109617.1557 298.5946 -161573.6263 -109266.8288 298.6286 -211.5765 -181.0515 760506.9829 -13.3183 -13.3553 PRESSURE: 4898000 -456.252 55.7638 73.3217 55.7633 -214.375 200.414 73.3226 200.413 -237.384 GPRESSURE: 4898000 -477.149 42.0779 74.7519 50.0734 -203.164 138.041 17.3152 133.269 -146.567 PRESSAVG: 4898000 -0.160528 -52.0602 -27.8947 -52.0601 -14.0385 -55.5948 -27.8947 -55.5948 -6.28304 GPRESSAVG: 4898000 -1.10487 -52.8362 -28.9419 -50.3875 -13.1611 -56.7455 -27.4596 -55.504 -5.96678 TIMING: 4898000 CPU: 15491.5, 0.00321858/step Wall: 15491.5, 0.00321858/step, 0.0911931 hours remaining, 236.988281 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: 4898000 4019.2261 20478.6718 14534.0611 248.6040 -203045.6622 2484.0226 0.0000 0.0000 51737.8172 -109543.2593 297.3379 -161281.0765 -109185.9503 298.6412 -302.6705 -275.6266 762422.2592 -6.8273 -6.7443 PRESSURE: 4898200 122.972 -24.963 -25.1892 -24.9634 42.8758 15.9531 -25.1899 15.9532 104.309 GPRESSURE: 4898200 118.679 -58.8816 -102.261 -118.486 23.0509 134.884 42.5355 44.4517 211.285 PRESSAVG: 4898200 -2.00296 -85.1196 25.7322 -85.1196 42.3143 36.8348 25.7322 36.8348 15.4428 GPRESSAVG: 4898200 -2.04818 -85.2402 24.1335 -87.2317 41.6158 37.599 26.6256 38.5908 15.7428 TIMING: 4898200 CPU: 15492.1, 0.00319547/step Wall: 15492.1, 0.00319547/step, 0.0903609 hours remaining, 236.988281 MB of memory in use. ENERGY: 4898200 4034.1530 20576.1280 14521.1184 272.8257 -202940.6397 2645.0936 0.0000 0.0000 51423.4105 -109467.9105 295.5310 -160891.3210 -109114.3082 299.0277 90.0521 117.6718 762306.3939 18.5847 18.4368 PRESSURE: 4898400 -123.88 -88.6111 25.6071 -88.61 -343.659 296.102 25.6069 296.102 -370.233 GPRESSURE: 4898400 -102.75 -72.1028 49.775 6.35335 -325.25 286.675 32.5287 249.588 -329.118 PRESSAVG: 4898400 -45.8778 -22.076 -42.8569 -22.076 14.9752 31.2125 -42.8569 31.2126 6.94289 GPRESSAVG: 4898400 -46.147 -19.6394 -41.5647 -22.1818 15.2194 31.4578 -41.5654 28.9268 6.83276 TIMING: 4898400 CPU: 15492.7, 0.00320846/step Wall: 15492.7, 0.00320846/step, 0.0905498 hours remaining, 236.988281 MB of memory in use. ENERGY: 4898400 3974.1670 20368.9505 14483.4531 240.9150 -203018.6363 2464.8903 0.0000 0.0000 51794.0353 -109692.2252 297.6610 -161486.2604 -109333.5265 298.5940 -279.2575 -252.3725 761641.3195 -7.9866 -8.0316 PRESSURE: 4898600 260.159 63.089 111.174 63.0889 198.626 186.362 111.174 186.362 -113.234 GPRESSURE: 4898600 324.828 -24.3846 116.288 258.444 226.554 196.065 100.629 217.406 -128.124 PRESSAVG: 4898600 44.3854 -2.51147 0.223491 -2.51143 -45.3565 23.7682 0.223465 23.7683 9.11939 GPRESSAVG: 4898600 44.3463 -3.84926 -0.242973 -1.0348 -45.2946 22.3735 -1.4878 25.1304 8.6561 TIMING: 4898600 CPU: 15493.4, 0.00321187/step Wall: 15493.4, 0.00321187/step, 0.0904677 hours remaining, 236.988281 MB of memory in use. ENERGY: 4898600 3920.5795 20477.2145 14555.4534 257.8910 -203795.8217 2842.1777 0.0000 0.0000 52314.5959 -109427.9096 300.6527 -161742.5056 -109072.3059 298.9360 115.1837 141.0860 759846.9166 2.7161 2.5693 PRESSURE: 4898800 14.1507 74.7624 93.3229 74.7625 64.0956 28.5704 93.3217 28.5703 32.6812 GPRESSURE: 4898800 98.6628 91.1343 90.5845 37.0056 40.4053 58.7984 56.1846 -15.6805 25.7011 PRESSAVG: 4898800 -18.1515 -5.41543 46.4002 -5.41548 5.93636 14.8484 46.4002 14.8485 0.0278336 GPRESSAVG: 4898800 -17.0353 -4.77567 46.3469 -7.00556 4.62467 15.1513 45.9689 15.2608 -0.176118 TIMING: 4898800 CPU: 15494, 0.00319935/step Wall: 15494, 0.00319935/step, 0.0899373 hours remaining, 236.988281 MB of memory in use. ENERGY: 4898800 4026.8404 20721.5196 14590.5873 241.5075 -203595.1140 2666.2717 0.0000 0.0000 51943.6497 -109404.7377 298.5209 -161348.3874 -109058.3841 299.3537 36.9759 54.9231 762943.2519 -4.0624 -4.1956 PRESSURE: 4899000 38.4504 -100.409 -60.8683 -100.409 -177.509 -215.725 -60.8686 -215.725 -99.1007 GPRESSURE: 4899000 72.0973 -33.0539 14.282 -103.566 -114.531 -95.6972 17.6517 -218.468 -105.347 PRESSAVG: 4899000 3.02077 -18.2517 52.3146 -18.2517 -17.6665 15.8171 52.3146 15.817 40.6127 GPRESSAVG: 4899000 2.30149 -18.1711 52.538 -18.0964 -16.0629 16.2944 53.1477 14.1882 40.2553 TIMING: 4899000 CPU: 15494.7, 0.00319288/step Wall: 15494.7, 0.00319288/step, 0.089578 hours remaining, 236.988281 MB of memory in use. ENERGY: 4899000 4024.9928 20557.3933 14555.2490 259.2507 -203562.8311 2744.3046 0.0000 0.0000 52114.9763 -109306.6646 299.5055 -161421.6408 -108938.8755 299.3187 -79.3864 -49.2602 761696.0708 8.6557 8.8313 PRESSURE: 4899200 149.42 123.952 -86.8952 123.952 217.039 36.2034 -86.8951 36.203 -152.637 GPRESSURE: 4899200 262.297 37.0962 -49.918 164.045 166.992 31.3099 -87.5271 4.77648 -130.831 PRESSAVG: 4899200 -5.76208 -39.2127 61.3912 -39.2127 8.69837 2.6849 61.3912 2.68489 13.44 GPRESSAVG: 4899200 -5.96843 -39.9225 61.3872 -36.9175 8.06359 2.64244 61.7442 3.92571 14.1669 TIMING: 4899200 CPU: 15495.3, 0.00319877/step Wall: 15495.3, 0.00319877/step, 0.0895657 hours remaining, 236.988281 MB of memory in use. ENERGY: 4899200 3949.5588 20562.3467 14546.6121 276.7284 -203625.0049 2838.4372 0.0000 0.0000 52020.5532 -109430.7685 298.9628 -161451.3217 -109080.0014 299.3743 71.2739 99.4858 760639.1101 5.4588 5.4207 PRESSURE: 4899400 121.904 -64.6138 93.8387 -64.6135 104.681 72.8896 93.8379 72.8884 50.7318 GPRESSURE: 4899400 114.415 17.6718 1.46234 -109.352 206.485 71.7836 177.428 55.2961 65.6046 PRESSAVG: 4899400 13.9051 -20.947 21.799 -20.947 12.7451 -67.9903 21.799 -67.9903 -0.539341 GPRESSAVG: 4899400 14.8056 -22.7642 21.8363 -21.3796 11.5327 -67.6556 21.4918 -68.4916 -0.298622 TIMING: 4899400 CPU: 15495.9, 0.00318812/step Wall: 15495.9, 0.00318812/step, 0.0890902 hours remaining, 236.988281 MB of memory in use. ENERGY: 4899400 3984.5233 20452.6087 14527.1654 224.7693 -203762.5181 2826.0621 0.0000 0.0000 52160.6154 -109586.7741 299.7678 -161747.3894 -109224.5794 299.1149 92.4388 128.8349 760237.2785 8.7036 8.6799 PRESSURE: 4899600 45.4124 156.473 265.105 156.471 197.103 -52.9283 265.106 -52.9288 -49.2249 GPRESSURE: 4899600 90.9064 235.621 224.743 126.304 247.916 -62.2642 303.859 -104.601 -56.5729 PRESSAVG: 4899600 -29.2057 -40.4863 31.5514 -40.4863 58.7837 -48.1565 31.5513 -48.1564 9.21696 GPRESSAVG: 4899600 -30.7997 -39.0589 30.0573 -41.0037 61.0016 -48.8348 32.4749 -48.5457 8.12692 TIMING: 4899600 CPU: 15496.6, 0.00319986/step Wall: 15496.6, 0.00319986/step, 0.0892404 hours remaining, 236.988281 MB of memory in use. ENERGY: 4899600 3965.8257 20383.8684 14584.1655 255.2114 -203637.6791 2784.5060 0.0000 0.0000 52001.6518 -109662.4504 298.8542 -161664.1022 -109289.2347 298.9932 64.4301 94.0833 760414.8214 12.9317 12.7763 PRESSURE: 4899800 -58.7834 21.1843 8.33191 21.1839 463.352 -111.033 8.33174 -111.034 41.1357 GPRESSURE: 4899800 25.8326 -98.8292 11.8975 62.1082 438.59 -125.722 44.6344 -46.8823 48.6817 PRESSAVG: 4899800 -19.2504 -5.20211 0.791708 -5.20212 7.25769 -23.2069 0.791775 -23.207 28.5143 GPRESSAVG: 4899800 -17.6686 -5.45291 1.2379 -3.91348 5.67073 -23.1824 -0.305171 -24.7168 28.7683 TIMING: 4899800 CPU: 15497.2, 0.003215/step Wall: 15497.2, 0.003215/step, 0.0894842 hours remaining, 236.988281 MB of memory in use. ENERGY: 4899800 3912.2466 20529.5398 14577.3779 249.5379 -203872.9494 2883.7806 0.0000 0.0000 52183.5084 -109536.9583 299.8993 -161720.4667 -109177.1861 298.1117 148.5682 171.0348 761213.0146 5.5072 5.5901 PRESSURE: 4900000 -287.763 37.7561 4.01659 37.7556 -336.563 17.6297 4.01617 17.6299 44.0074 GPRESSURE: 4900000 -254.583 -10.7716 64.8856 7.53806 -250.588 45.7923 12.3103 -40.7471 11.9932 PRESSAVG: 4900000 -11.4674 -53.417 8.2406 -53.417 25.9305 -3.748 8.24059 -3.74801 -30.5954 GPRESSAVG: 4900000 -11.6598 -53.6633 8.74339 -55.6169 27.1555 -4.23384 9.67059 -3.07172 -31.5458 TIMING: 4900000 CPU: 15497.9, 0.00322426/step Wall: 15497.9, 0.00322426/step, 0.0895627 hours remaining, 236.988281 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: 4900000 4026.6757 20530.1004 14516.5721 227.4529 -203799.6407 2839.0222 0.0000 0.0000 52004.0189 -109655.7986 298.8678 -161659.8174 -109292.7971 298.6746 -193.4397 -164.3929 763688.3819 -5.3774 -5.3500 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4900200 115.472 -70.1387 6.35698 -70.1389 379.314 -36.2922 6.35702 -36.2922 53.1501 GPRESSURE: 4900200 163.229 39.4024 -0.89436 27.427 449.228 -10.0874 -57.1562 64.7943 24.9416 PRESSAVG: 4900200 -37.0423 -38.2835 18.4517 -38.2836 7.93255 58.0477 18.4517 58.0477 5.28725 GPRESSAVG: 4900200 -37.0976 -36.185 18.7343 -37.9621 8.09711 57.842 17.7977 61.1176 5.68368 TIMING: 4900200 CPU: 15498.5, 0.00336438/step Wall: 15498.5, 0.00336438/step, 0.0932682 hours remaining, 236.988281 MB of memory in use. ENERGY: 4900200 3994.3616 20446.9945 14575.9428 249.4446 -203983.6289 2858.7939 0.0000 0.0000 52174.6492 -109683.4424 299.8484 -161858.0916 -109331.0508 298.8033 182.6453 212.4660 761305.6778 -7.9408 -7.7723 LDB: ============= START OF LOAD BALANCING ============== 15511.1 LDB: ============== END OF LOAD BALANCING =============== 15511.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15511.1 LDB: ============= START OF LOAD BALANCING ============== 15511.4 LDB: Largest compute 7075 load 0.035202 is 18.0% of average load 0.195445 LDB: Average compute 0.004411 is 2.3% of average load 0.195445 LDB: TIME 15511.4 LOAD: AVG 0.195445 MAX 0.216388 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.762 MB LDB: TIME 15511.4 LOAD: AVG 0.195445 MAX 0.216388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: TIME 15511.4 LOAD: AVG 0.195445 MAX 0.216388 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.965 MB LDB: ============== END OF LOAD BALANCING =============== 15511.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15511.4 PRESSURE: 4900400 -200.201 -161.055 -52.0729 -161.054 -467.81 -246.005 -52.0723 -246.006 -212.804 GPRESSURE: 4900400 -110.344 -261.451 -19.3651 -202.326 -450.693 -183.527 -11.5324 -231.812 -230.101 PRESSAVG: 4900400 5.66347 -42.2075 -15.4029 -42.2075 -45.4076 -10.0041 -15.4029 -10.0041 -8.0308 GPRESSAVG: 4900400 5.64011 -43.4761 -15.1201 -42.1626 -46.1735 -10.3304 -15.5913 -11.1877 -7.32346 TIMING: 4900400 CPU: 15499.2, 0.00325095/step Wall: 15499.2, 0.00325095/step, 0.0899429 hours remaining, 235.394531 MB of memory in use. ENERGY: 4900400 4077.3139 20481.3130 14540.6228 253.7759 -203131.9506 2423.1547 0.0000 0.0000 51982.0267 -109373.7435 298.7414 -161355.7703 -109016.5163 299.3317 -293.6052 -263.7125 761581.8848 -15.9250 -15.9523 PRESSURE: 4900600 -63.509 -194.449 238.65 -194.449 -148.032 160.709 238.651 160.71 50.8513 GPRESSURE: 4900600 -49.4847 -148.346 169.487 -20.3078 -104.684 188.324 261.407 163.658 69.1533 PRESSAVG: 4900600 82.4 -53.3847 14.7649 -53.3847 -58.0616 34.6074 14.7648 34.6073 5.20369 GPRESSAVG: 4900600 80.7584 -52.9244 13.2553 -51.8599 -57.0216 34.5056 13.9368 33.5113 5.44667 TIMING: 4900600 CPU: 15499.8, 0.00319626/step Wall: 15499.8, 0.00319626/step, 0.0882522 hours remaining, 235.433594 MB of memory in use. ENERGY: 4900600 3957.3001 20687.9203 14534.1987 251.4916 -202674.7312 1943.0928 0.0000 0.0000 52045.9594 -109254.7682 299.1088 -161300.7276 -108888.7379 299.7881 -53.5633 -28.3386 759758.0576 9.8474 9.7278 PRESSURE: 4900800 125.223 106.239 -106.674 106.239 -27.1939 -78.4961 -106.673 -78.497 248.837 GPRESSURE: 4900800 138.807 21.3654 -131.117 48.7622 23.3457 -91.5336 -81.3285 28.9953 269.249 PRESSAVG: 4900800 26.3486 -3.79941 -5.99507 -3.79936 -30.5876 54.0091 -5.99511 54.009 7.92063 GPRESSAVG: 4900800 27.496 -4.86747 -6.13539 -4.38388 -32.0096 54.0497 -4.7646 55.5005 7.82325 TIMING: 4900800 CPU: 15500.5, 0.00317184/step Wall: 15500.5, 0.00317184/step, 0.0874019 hours remaining, 235.500000 MB of memory in use. ENERGY: 4900800 3943.3366 20499.5253 14561.0116 258.8826 -203420.9668 2685.1230 0.0000 0.0000 52365.0359 -109108.0517 300.9426 -161473.0876 -108737.9613 299.5101 115.6221 143.8008 760957.2350 1.2272 1.1032 PRESSURE: 4901000 -169.699 149.305 48.646 149.305 -148.534 -161.972 48.6462 -161.972 390.607 GPRESSURE: 4901000 -209.619 86.5796 21.7601 71.8302 -25.6363 -172.32 132.799 -154.48 371.682 PRESSAVG: 4901000 46.6021 -16.2981 26.3572 -16.2981 -60.4732 8.90442 26.3572 8.90447 43.9063 GPRESSAVG: 4901000 46.4808 -15.7291 25.33 -17.3183 -59.8623 10.3319 28.2834 8.59685 43.4402 TIMING: 4901000 CPU: 15501.1, 0.00319365/step Wall: 15501.1, 0.00319365/step, 0.0878255 hours remaining, 235.500000 MB of memory in use. ENERGY: 4901000 3963.2933 20678.5932 14510.5775 236.3117 -203457.7830 2575.6177 0.0000 0.0000 52048.3869 -109445.0026 299.1228 -161493.3895 -109078.7526 299.6809 24.1248 45.4757 761527.1540 10.0117 10.0195 PRESSURE: 4901200 -341.94 -174.359 80.6162 -174.359 -177.228 -114.28 80.6164 -114.279 -379.814 GPRESSURE: 4901200 -209.399 -260.534 135.757 -282.168 -153.192 -52.2799 58.5669 -83.9215 -456.276 PRESSAVG: 4901200 54.0388 -35.7819 -17.4877 -35.7819 -76.4288 -54.6599 -17.4877 -54.6598 -14.3029 GPRESSAVG: 4901200 54.0915 -35.7555 -14.4059 -35.8165 -76.0195 -55.9331 -20.8255 -55.3097 -14.4979 TIMING: 4901200 CPU: 15501.7, 0.00317219/step Wall: 15501.7, 0.00317219/step, 0.0870589 hours remaining, 235.500000 MB of memory in use. ENERGY: 4901200 4007.0098 20534.7695 14522.2138 263.5066 -203619.9489 2652.1943 0.0000 0.0000 52100.6862 -109539.5687 299.4234 -161640.2549 -109166.0370 298.7981 -299.6608 -272.9555 760610.6850 -12.2309 -12.1420 PRESSURE: 4901400 -259.561 55.9728 -91.9753 55.9725 -194.04 80.2037 -91.9756 80.2049 -153.052 GPRESSURE: 4901400 -180.206 150.963 -107.81 -75.7939 -151.518 140.247 -116.972 79.3353 -189.917 PRESSAVG: 4901400 -29.0987 -8.58343 7.29432 -8.58344 60.1671 -14.0751 7.29425 -14.0751 -1.19459 GPRESSAVG: 4901400 -28.5052 -7.61682 6.15097 -8.7787 60.3248 -12.7663 7.52312 -13.2432 -1.41093 TIMING: 4901400 CPU: 15502.4, 0.00318828/step Wall: 15502.4, 0.00318828/step, 0.0873235 hours remaining, 235.500000 MB of memory in use. ENERGY: 4901400 4057.5307 20639.8312 14470.1950 248.2220 -203413.4609 2407.0159 0.0000 0.0000 52078.1623 -109512.5039 299.2939 -161590.6662 -109152.4228 299.3986 -202.2177 -173.8805 761518.3182 9.9579 10.1362 PRESSURE: 4901600 -50.3537 -24.865 -184.9 -24.8649 85.5015 103.653 -184.9 103.653 -5.53485 GPRESSURE: 4901600 -46.5401 -72.5678 -103.803 28.3642 124.982 122.247 -94.3313 95.4931 19.2288 PRESSAVG: 4901600 -82.6195 29.4743 -37.3537 29.4743 45.638 22.0643 -37.3537 22.0643 -20.3109 GPRESSAVG: 4901600 -81.8641 29.2397 -37.4862 30.5202 44.0818 21.499 -34.4046 21.3766 -20.0126 TIMING: 4901600 CPU: 15503, 0.00318242/step Wall: 15503, 0.00318242/step, 0.0869863 hours remaining, 235.500000 MB of memory in use. ENERGY: 4901600 3964.8844 20573.3028 14580.7807 246.0375 -203729.0151 2709.5563 0.0000 0.0000 52154.8176 -109499.6358 299.7345 -161654.4533 -109140.4775 299.4074 9.8710 32.5568 760408.2709 -19.0974 -19.2650 PRESSURE: 4901800 56.1628 131.162 338.095 131.163 109.524 100.746 338.095 100.744 -133.974 GPRESSURE: 4901800 110.776 110.522 321.048 67.7913 185.744 -43.1233 323.014 193.112 -166.392 PRESSAVG: 4901800 21.377 -1.22043 22.2844 -1.22046 12.6581 41.2989 22.2844 41.2989 23.3831 GPRESSAVG: 4901800 21.8501 -2.28604 22.2207 -0.580544 12.4566 40.4272 19.609 43.0522 22.975 TIMING: 4901800 CPU: 15503.7, 0.00319327/step Wall: 15503.7, 0.00319327/step, 0.0871054 hours remaining, 235.500000 MB of memory in use. ENERGY: 4901800 3997.2678 20543.4882 14508.9427 248.6410 -203521.0769 2684.8988 0.0000 0.0000 52055.7439 -109482.0945 299.1651 -161537.8384 -109128.1998 299.6880 10.5709 43.3761 760607.1374 19.1394 19.0939 PRESSURE: 4902000 -43.1902 -233.144 34.7708 -233.143 47.8861 -90.8362 34.771 -90.8358 -215.89 GPRESSURE: 4902000 -39.7312 -109.217 113.694 -150.606 118.678 -74.2998 114.321 -84.62 -189.584 PRESSAVG: 4902000 9.931 2.87832 35.5672 2.87837 -0.259256 40.1706 35.5672 40.1705 -3.6782 GPRESSAVG: 4902000 8.32974 5.52812 36.9152 3.03199 0.119368 42.5407 36.1973 38.0951 -2.14999 TIMING: 4902000 CPU: 15504.3, 0.00319375/step Wall: 15504.3, 0.00319375/step, 0.0869409 hours remaining, 235.500000 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: 4902000 4083.7564 20622.8482 14471.6636 248.4206 -203606.3670 2760.2757 0.0000 0.0000 52018.4034 -109400.9991 298.9505 -161419.4024 -109042.2769 299.3728 -70.3981 -36.8790 760172.8139 1.9978 2.0997 PRESSURE: 4902200 -231.374 238.416 12.2361 238.416 56.4607 -131.911 12.2356 -131.911 -77.1912 GPRESSURE: 4902200 -227.678 103.945 9.57068 59.3509 158.061 -127.501 -55.8766 -92.2825 -87.2781 PRESSAVG: 4902200 6.08379 -45.3572 58.9876 -45.3572 -12.3789 -6.01049 58.9876 -6.0105 17.6762 GPRESSAVG: 4902200 5.98279 -48.7653 56.5 -45.7524 -12.3273 -7.42267 59.147 -7.35665 17.7881 TIMING: 4902200 CPU: 15504.9, 0.0031753/step Wall: 15504.9, 0.0031753/step, 0.0862623 hours remaining, 235.500000 MB of memory in use. ENERGY: 4902200 3948.9883 20626.2714 14493.7030 244.1279 -203648.2176 2625.1372 0.0000 0.0000 52244.1576 -109465.8321 300.2479 -161709.9898 -109094.9711 299.1425 -84.0349 -52.2982 761182.4731 3.7937 3.8145 PRESSURE: 4902400 -77.9984 -42.9615 10.4326 -42.9611 -95.7845 166.732 10.4328 166.733 -585.045 GPRESSURE: 4902400 -27.5216 -81.3234 25.1654 1.26985 -137.649 192.813 28.3602 121.278 -514.312 PRESSAVG: 4902400 -56.1116 -37.7882 65.0184 -37.7881 35.2252 23.5637 65.0184 23.5637 0.940421 GPRESSAVG: 4902400 -56.7309 -35.9284 67.2579 -38.3063 36.4242 21.6555 65.6447 26.5795 0.110245 TIMING: 4902400 CPU: 15505.6, 0.00319584/step Wall: 15505.6, 0.00319584/step, 0.0866429 hours remaining, 235.500000 MB of memory in use. ENERGY: 4902400 4005.1079 20722.5491 14469.0151 229.1464 -203515.5793 2900.4225 0.0000 0.0000 51929.2053 -109260.1330 298.4379 -161189.3383 -108913.3466 299.0613 -252.9426 -226.4943 763952.3421 -6.6487 -6.7321 PRESSURE: 4902600 -216.81 -159.088 213.898 -159.088 -213.83 61.2519 213.897 61.2521 45.6955 GPRESSURE: 4902600 -99.7958 -131.377 200.48 -189.891 -234.077 87.3424 276.783 60.4586 31.2158 PRESSAVG: 4902600 43.839 -42.5539 8.52359 -42.554 24.9907 26.9211 8.52364 26.9211 6.67206 GPRESSAVG: 4902600 44.7994 -43.6531 6.41637 -42.1672 23.9883 27.7426 7.95252 24.4647 6.54315 TIMING: 4902600 CPU: 15506.2, 0.00318578/step Wall: 15506.2, 0.00318578/step, 0.086193 hours remaining, 235.500000 MB of memory in use. ENERGY: 4902600 3932.3147 20518.4142 14556.6743 244.8291 -203050.6220 2546.4662 0.0000 0.0000 51999.8427 -109252.0807 298.8438 -161251.9234 -108892.6357 299.3216 -128.3151 -100.8855 762104.5125 25.1672 25.1103 PRESSURE: 4902800 113.816 -7.75113 34.5807 -7.74994 32.1585 -217.426 34.5805 -217.426 498.976 GPRESSURE: 4902800 102.981 -35.6883 46.8876 -59.2222 85.5589 -151.276 133.391 -56.9211 520.473 PRESSAVG: 4902800 56.4427 -29.1528 44.0014 -29.1528 -23.5265 21.3473 44.0014 21.3473 -9.41726 GPRESSAVG: 4902800 56.65 -28.6359 44.5863 -29.4115 -24.7324 22.1798 45.1621 24.0753 -8.49186 TIMING: 4902800 CPU: 15506.8, 0.00317112/step Wall: 15506.8, 0.00317112/step, 0.0856202 hours remaining, 235.703125 MB of memory in use. ENERGY: 4902800 3850.8269 20655.5093 14439.0360 244.0675 -202943.6298 2466.5761 0.0000 0.0000 52067.2254 -109220.3887 299.2311 -161287.6141 -108862.5400 298.9065 214.9835 236.3376 762183.9012 7.8330 7.8086 PRESSURE: 4903000 -334.269 -39.3426 313.593 -39.3427 -477.718 -39.6138 313.593 -39.614 -359.44 GPRESSURE: 4903000 -335.681 -68.2082 347.48 -65.6542 -394.511 -79.4231 178.93 -170.423 -348.285 PRESSAVG: 4903000 -7.26644 -19.1789 45.0008 -19.179 6.33101 19.6758 45.0008 19.6758 20.5631 GPRESSAVG: 4903000 -6.71247 -19.1955 45.0807 -19.8651 5.68296 19.4 42.8109 17.5635 21.1034 TIMING: 4903000 CPU: 15507.5, 0.00318753/step Wall: 15507.5, 0.00318753/step, 0.0858863 hours remaining, 235.703125 MB of memory in use. ENERGY: 4903000 4004.4075 20454.3066 14497.4794 241.0327 -202872.7594 2323.2101 0.0000 0.0000 51965.6030 -109386.7202 298.6470 -161352.3232 -109020.3876 298.9925 -390.4755 -359.4921 763121.6210 6.5425 6.6913 PRESSURE: 4903200 24.1172 -86.3722 29.4158 -86.3721 28.625 -97.3427 29.4173 -97.3433 -163.014 GPRESSURE: 4903200 110.243 -138.56 -59.0754 -84.2685 53.9758 -135.905 43.4207 -143.719 -179.538 PRESSAVG: 4903200 -6.11365 -12.8643 9.17 -12.8643 -2.56849 -38.558 9.17 -38.558 8.0447 GPRESSAVG: 4903200 -6.01225 -12.9179 9.70712 -11.3518 -0.647533 -39.4136 11.7504 -39.7624 6.42818 TIMING: 4903200 CPU: 15508.1, 0.00319161/step Wall: 15508.1, 0.00319161/step, 0.0858189 hours remaining, 235.703125 MB of memory in use. ENERGY: 4903200 3930.4737 20589.0419 14452.5940 228.6465 -202812.8555 2367.2156 0.0000 0.0000 51989.6701 -109255.2138 298.7853 -161244.8838 -108894.8097 298.8756 -36.7573 -5.1065 764148.4804 -0.2125 -0.0772 PRESSURE: 4903400 -308.161 -141.616 105.739 -141.615 24.3321 -33.2271 105.74 -33.2271 -397.332 GPRESSURE: 4903400 -142.774 -95.8809 107.158 -136.802 -70.0916 -12.1768 243.524 78.1174 -393.265 PRESSAVG: 4903400 34.6199 -31.3452 46.9781 -31.3453 -15.4458 29.574 46.9781 29.5739 17.7268 GPRESSAVG: 4903400 34.1335 -31.7252 46.2203 -33.1675 -16.3829 30.1738 45.7028 30.3949 19.1571 TIMING: 4903400 CPU: 15508.7, 0.00317571/step Wall: 15508.7, 0.00317571/step, 0.0852149 hours remaining, 235.703125 MB of memory in use. ENERGY: 4903400 4039.5162 20525.2453 14513.3204 234.0887 -203095.9578 2514.2194 0.0000 0.0000 52117.0140 -109152.5538 299.5172 -161269.5677 -108789.9611 299.8935 -227.0535 -202.0437 763356.5700 12.3003 12.3026 PRESSURE: 4903600 -183.342 -152.002 -50.7873 -152.002 -163.038 32.0594 -50.7874 32.0588 113.106 GPRESSURE: 4903600 -141.692 -188.647 -51.1301 -85.9398 -139.665 91.6296 -150.848 20.931 154.204 PRESSAVG: 4903600 8.33873 -62.4431 67.8835 -62.4431 -7.89443 8.15993 67.8835 8.15989 -23.3031 GPRESSAVG: 4903600 9.42235 -61.9405 69.0033 -62.1864 -8.61911 8.35723 68.3823 9.64238 -23.5509 TIMING: 4903600 CPU: 15509.4, 0.00317388/step Wall: 15509.4, 0.00317388/step, 0.0849895 hours remaining, 235.703125 MB of memory in use. ENERGY: 4903600 4017.3275 20518.0658 14522.4555 245.4982 -203191.2251 2517.0556 0.0000 0.0000 52460.3133 -108910.5091 301.4901 -161370.8224 -108542.6854 300.0867 -77.7581 -42.3842 763514.0560 -7.6196 -7.5826 PRESSURE: 4903800 -150.668 -272.958 -69.7535 -272.958 -21.5782 108.086 -69.7544 108.088 -16.9433 GPRESSURE: 4903800 -205.086 -353.876 -15.6499 -253.991 93.0521 80.9975 -98.927 -4.8986 15.7216 PRESSAVG: 4903800 -6.69149 -80.5636 -34.223 -80.5636 18.5386 42.2539 -34.223 42.254 -12.4978 GPRESSAVG: 4903800 -8.86231 -81.0584 -33.4707 -81.0069 20.5463 42.3567 -36.5274 38.804 -12.5608 TIMING: 4903800 CPU: 15510, 0.00317908/step Wall: 15510, 0.00317908/step, 0.0849521 hours remaining, 235.703125 MB of memory in use. ENERGY: 4903800 3951.9418 20509.8447 14505.3485 264.5356 -202991.2805 2511.1853 0.0000 0.0000 52327.1649 -108921.2596 300.7249 -161248.4245 -108555.9465 300.2660 -63.0630 -32.1041 761907.1182 -0.2169 -0.2923 PRESSURE: 4904000 363.24 13.0195 60.6742 13.0185 140.27 -43.4266 60.675 -43.4251 -31.4234 GPRESSURE: 4904000 380.791 -40.7777 -16.6484 67.0282 147.752 142.33 144.417 -105.329 16.555 PRESSAVG: 4904000 -60.8899 -69.086 53.5445 -69.086 86.4227 67.1991 53.5445 67.1991 17.9454 GPRESSAVG: 4904000 -60.5685 -67.6565 53.6665 -69.3388 85.7253 66.1131 54.0166 69.7197 17.9139 TIMING: 4904000 CPU: 15510.7, 0.003198/step Wall: 15510.7, 0.003198/step, 0.0852801 hours remaining, 235.703125 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: 4904000 3993.8763 20466.4572 14566.4122 232.2788 -203284.7990 2746.2554 0.0000 0.0000 52021.5752 -109257.9441 298.9687 -161279.5193 -108892.2069 299.5193 157.3620 181.6994 761774.0160 14.4927 14.3569 PRESSURE: 4904200 -315.056 -228.953 19.0152 -228.953 -53.7788 132.719 19.0144 132.719 -388.03 GPRESSURE: 4904200 -295.139 -146.023 32.1455 -279.04 -46.0363 156.625 -44.3355 138.311 -309.796 PRESSAVG: 4904200 -82.5065 -43.4623 -16.8532 -43.4623 48.7245 64.8732 -16.8533 64.8732 -7.06293 GPRESSAVG: 4904200 -83.0964 -45.7448 -16.9163 -41.9654 48.9006 66.564 -17.0799 61.7652 -7.03104 TIMING: 4904200 CPU: 15511.3, 0.00317825/step Wall: 15511.3, 0.00317825/step, 0.0845769 hours remaining, 235.703125 MB of memory in use. ENERGY: 4904200 4007.7614 20389.6936 14539.1839 256.4771 -202823.6904 2244.7917 0.0000 0.0000 52301.4714 -109084.3114 300.5773 -161385.7828 -108723.5892 299.3297 -252.2884 -216.9904 761342.6429 -13.6150 -13.7423 LDB: ============= START OF LOAD BALANCING ============== 15523.8 LDB: ============== END OF LOAD BALANCING =============== 15523.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15523.8 LDB: ============= START OF LOAD BALANCING ============== 15524.2 LDB: Largest compute 7076 load 0.036933 is 18.9% of average load 0.195467 LDB: Average compute 0.004406 is 2.3% of average load 0.195467 LDB: TIME 15524.2 LOAD: AVG 0.195467 MAX 0.216966 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.922 MB LDB: TIME 15524.2 LOAD: AVG 0.195467 MAX 0.216966 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: TIME 15524.2 LOAD: AVG 0.195467 MAX 0.216966 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.922 MB LDB: ============== END OF LOAD BALANCING =============== 15524.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15524.2 PRESSURE: 4904400 141.921 -20.4318 -114.426 -20.4312 270.954 -28.6609 -114.426 -28.6607 472.537 GPRESSURE: 4904400 213.09 -141.184 -116.171 -26.311 268.758 -47.4549 -52.4599 -62.345 470.773 PRESSAVG: 4904400 16.6902 -101.824 -9.31934 -101.824 -28.3023 30.111 -9.31933 30.1109 -16.1675 GPRESSAVG: 4904400 17.2385 -101.45 -11.4688 -101.422 -28.351 30.0702 -5.98577 31.6747 -17.0628 TIMING: 4904400 CPU: 15511.9, 0.0032518/step Wall: 15511.9, 0.0032518/step, 0.0863534 hours remaining, 237.968750 MB of memory in use. ENERGY: 4904400 3909.1531 20590.8143 14527.0690 224.0065 -203264.0221 2579.9667 0.0000 0.0000 52151.8437 -109281.1689 299.7174 -161433.0126 -108925.9296 298.7715 295.1373 317.5402 761639.0100 -9.2599 -9.3917 PRESSURE: 4904600 142.303 89.8573 291.954 89.8574 142.781 117.604 291.953 117.604 -25.1392 GPRESSURE: 4904600 128.96 98.9015 324.457 128.58 106.212 133.204 171.171 231.633 97.1416 PRESSAVG: 4904600 45.4659 -46.4643 3.95406 -46.4643 7.05237 42.0118 3.95408 42.0117 39.9225 GPRESSAVG: 4904600 45.1343 -48.0171 5.83237 -45.5957 6.30151 40.0585 0.274919 44.5714 40.5765 TIMING: 4904600 CPU: 15512.6, 0.00317945/step Wall: 15512.6, 0.00317945/step, 0.0842553 hours remaining, 238.093750 MB of memory in use. ENERGY: 4904600 3902.2939 20355.1446 14465.3559 228.3103 -203359.9375 2656.3405 0.0000 0.0000 52037.1687 -109715.3235 299.0583 -161752.4923 -109347.5845 298.7862 86.6482 110.7711 760598.3702 30.8136 30.6708 PRESSURE: 4904800 200.795 -37.9698 255.774 -37.9695 -17.1057 110.297 255.773 110.297 -21.5339 GPRESSURE: 4904800 228.76 -165.047 155.463 -53.6619 43.6544 48.6067 188.765 -45.5364 -7.36595 PRESSAVG: 4904800 -37.565 -78.8111 -13.1695 -78.8111 6.9653 18.7456 -13.1695 18.7455 20.8158 GPRESSAVG: 4904800 -36.9288 -75.8826 -12.0777 -80.1901 6.92708 20.065 -12.7096 17.324 21.1869 TIMING: 4904800 CPU: 15513.2, 0.00321287/step Wall: 15513.2, 0.00321287/step, 0.0849625 hours remaining, 238.093750 MB of memory in use. ENERGY: 4904800 3904.4793 20569.7052 14381.0873 252.7673 -203915.3447 2904.7292 0.0000 0.0000 52144.9647 -109757.6117 299.6778 -161902.5764 -109402.0113 298.4188 54.0520 88.3494 759476.7824 -3.2613 -2.9383 PRESSURE: 4905000 -88.0914 0.697961 -3.80488 0.697553 -143.37 185.253 -3.80395 185.253 -176.725 GPRESSURE: 4905000 -43.3685 -102.561 14.508 61.8488 -126.076 176.568 86.0104 182.588 -158.994 PRESSAVG: 4905000 -45.0038 -4.10782 -2.4467 -4.10784 15.2365 -7.07958 -2.44668 -7.07961 -8.67003 GPRESSAVG: 4905000 -43.1136 -5.24469 -4.8784 -3.83924 14.6868 -7.05519 -0.884915 -8.79361 -9.87386 TIMING: 4905000 CPU: 15513.9, 0.00319826/step Wall: 15513.9, 0.00319826/step, 0.0843986 hours remaining, 238.093750 MB of memory in use. ENERGY: 4905000 3932.0641 20499.5320 14418.3131 239.9489 -203707.7803 2682.2701 0.0000 0.0000 52073.1328 -109862.5194 299.2650 -161935.6521 -109505.7613 298.4121 -136.0621 -109.4797 761665.9177 -12.8124 -12.7669 PRESSURE: 4905200 -77.6433 48.4472 -125.349 48.4469 160.072 -60.9572 -125.348 -60.9577 -52.6762 GPRESSURE: 4905200 -104.026 174.391 -115.359 4.45987 151.768 -35.0441 -102.215 -9.7511 53.0221 PRESSAVG: 4905200 11.5773 -61.1623 31.2867 -61.1622 5.20317 -60.7745 31.2867 -60.7745 7.65271 GPRESSAVG: 4905200 9.13357 -60.7145 32.7215 -62.0095 6.74805 -61.4834 32.1317 -59.2518 8.72498 TIMING: 4905200 CPU: 15514.5, 0.00320229/step Wall: 15514.5, 0.00320229/step, 0.0843269 hours remaining, 238.093750 MB of memory in use. ENERGY: 4905200 3940.8033 20527.0235 14445.2090 249.8315 -203289.0275 2568.7991 0.0000 0.0000 51773.9901 -109783.3710 297.5458 -161557.3611 -109424.4436 298.4570 9.9175 33.5880 760974.6337 8.1444 8.2022 PRESSURE: 4905400 126.834 240.866 13.5691 240.865 -16.2825 168.637 13.5695 168.637 -263.765 GPRESSURE: 4905400 138.064 83.1327 61.3181 223.265 -17.8026 139.649 29.4773 99.6717 -209.581 PRESSAVG: 4905400 -7.96718 -11.6572 5.92394 -11.6573 33.3882 -6.43242 5.92397 -6.4324 2.55654 GPRESSAVG: 4905400 -7.37943 -13.8652 4.80941 -10.8932 34.3584 -4.95349 4.62608 -5.58621 1.22821 TIMING: 4905400 CPU: 15515.1, 0.00319285/step Wall: 15515.1, 0.00319285/step, 0.083901 hours remaining, 238.093750 MB of memory in use. ENERGY: 4905400 3948.1984 20372.0086 14447.9002 260.2930 -203196.1253 2420.9124 0.0000 0.0000 52178.0284 -109568.7842 299.8678 -161746.8126 -109201.5980 299.1259 -51.0713 -29.7729 761052.4566 9.3259 9.4024 PRESSURE: 4905600 84.0838 132.682 -212.393 132.682 -160.189 195.487 -212.394 195.487 -189.804 GPRESSURE: 4905600 92.4523 -15.648 -98.892 143.715 -88.3639 208.545 -87.6203 134.907 -185.348 PRESSAVG: 4905600 21.1016 -3.24957 -1.45856 -3.24953 -17.2508 5.81427 -1.45862 5.81422 33.6211 GPRESSAVG: 4905600 22.3298 -1.5993 0.941711 -2.42416 -18.3074 4.61745 -1.34495 2.64363 33.365 TIMING: 4905600 CPU: 15515.8, 0.00318896/step Wall: 15515.8, 0.00318896/step, 0.0836216 hours remaining, 238.093750 MB of memory in use. ENERGY: 4905600 4067.7263 20507.8188 14455.2119 240.9712 -202880.3814 2203.5596 0.0000 0.0000 52013.7171 -109391.3764 298.9235 -161405.0936 -109039.0613 299.3015 -88.6365 -60.4200 762107.0664 12.4906 12.4625 PRESSURE: 4905800 -36.96 -39.67 199.083 -39.6704 118.57 -199.595 199.083 -199.597 60.6291 GPRESSURE: 4905800 11.5529 -178.039 114.175 113.42 77.8929 -129.572 173.546 -128.918 133.782 PRESSAVG: 4905800 -30.4048 33.1589 -10.3418 33.1589 -2.1049 27.6393 -10.3419 27.6393 -4.06232 GPRESSAVG: 4905800 -31.3375 32.9943 -10.785 33.8599 -2.83177 27.0511 -10.1902 29.2957 -2.10321 TIMING: 4905800 CPU: 15516.4, 0.00316863/step Wall: 15516.4, 0.00316863/step, 0.0829124 hours remaining, 238.160156 MB of memory in use. ENERGY: 4905800 4061.8056 20387.2646 14410.5714 263.0221 -203608.1762 2752.9957 0.0000 0.0000 52194.7360 -109537.7808 299.9639 -161732.5169 -109168.5734 299.2637 47.4130 74.4093 761630.0443 -12.1907 -12.0908 PRESSURE: 4906000 -420.49 122.472 161.632 122.472 -193.659 129.106 161.633 129.105 -126.43 GPRESSURE: 4906000 -352.475 132.672 311.27 66.4317 -105.528 126.655 111.575 57.3615 -173.44 PRESSAVG: 4906000 18.3345 -56.8781 8.91757 -56.8781 -7.11162 19.9824 8.91753 19.9825 2.52802 GPRESSAVG: 4906000 18.4763 -58.2117 6.83698 -58.2446 -6.09821 20.2664 9.89475 19.8869 0.728205 TIMING: 4906000 CPU: 15517, 0.00317797/step Wall: 15517, 0.00317797/step, 0.0829803 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: 4906000 4048.8297 20356.8241 14363.5496 254.6156 -203751.7692 2692.8020 0.0000 0.0000 52371.4649 -109663.6832 300.9795 -162035.1482 -109301.8242 299.2750 -246.8596 -210.4810 761323.3213 4.5836 4.3688 PRESSURE: 4906200 330.567 -114.357 -39.4239 -114.357 412.085 -180.058 -39.4234 -180.058 576.967 GPRESSURE: 4906200 287.48 -130.185 -41.5886 -52.4984 499.533 -115.937 -42.3404 -194.85 630.724 PRESSAVG: 4906200 13.9356 -29.9133 9.2856 -29.9132 29.5649 -16.9059 9.28561 -16.906 -0.802124 GPRESSAVG: 4906200 13.5667 -30.0766 9.77917 -29.1129 29.4059 -16.5875 10.1578 -17.2671 0.158805 TIMING: 4906200 CPU: 15517.7, 0.00316849/step Wall: 15517.7, 0.00316849/step, 0.0825568 hours remaining, 238.378906 MB of memory in use. ENERGY: 4906200 3938.4193 20351.9079 14418.2445 232.4414 -204131.6782 3225.4827 0.0000 0.0000 52221.1952 -109743.9873 300.1159 -161965.1825 -109377.7848 298.8834 439.8727 472.5787 759250.7748 14.2328 14.3771 PRESSURE: 4906400 284.531 -67.0317 290.12 -67.0314 -149.699 208.228 290.121 208.227 123.585 GPRESSURE: 4906400 260.816 52.7996 263.52 -49.6921 -88.3443 156.514 218.116 207.557 158.993 PRESSAVG: 4906400 27.386 -64.619 -7.48861 -64.619 12.9282 42.6946 -7.48855 42.6946 1.29249 GPRESSAVG: 4906400 27.1032 -61.7 -7.32315 -64.7702 12.1509 42.2621 -7.49023 43.8041 2.16441 TIMING: 4906400 CPU: 15518.3, 0.00317526/step Wall: 15518.3, 0.00317526/step, 0.0825569 hours remaining, 238.378906 MB of memory in use. ENERGY: 4906400 3991.2589 20511.6841 14416.5282 249.2331 -203535.7833 2756.2093 0.0000 0.0000 51877.5147 -109733.3550 298.1408 -161610.8697 -109374.7107 298.7558 86.1391 110.4882 761875.3765 13.8689 13.8062 PRESSURE: 4906600 -118.346 -41.7773 114.949 -41.7772 166.981 -287.523 114.95 -287.523 -245.429 GPRESSURE: 4906600 -23.5523 -50.4308 141.229 -66.7984 173.186 -245.837 110.434 -157.845 -265.354 PRESSAVG: 4906600 -1.04512 -53.258 37.1603 -53.258 -5.30225 22.9529 37.1603 22.9529 -21.1506 GPRESSAVG: 4906600 -0.764058 -55.456 38.1139 -53.6594 -4.17869 22.1704 34.5312 23.0732 -22.2393 TIMING: 4906600 CPU: 15519, 0.00317765/step Wall: 15519, 0.00317765/step, 0.0824425 hours remaining, 238.378906 MB of memory in use. ENERGY: 4906600 3854.3672 20412.9342 14403.2050 241.4561 -203511.3011 2763.7383 0.0000 0.0000 52093.6542 -109741.9461 299.3829 -161835.6003 -109365.9474 298.5005 -65.5982 -38.5734 761272.5667 -9.1660 -9.0607 PRESSURE: 4906800 -234.54 -141.002 -112.354 -141.003 -157.42 49.4305 -112.354 49.4296 35.0008 GPRESSURE: 4906800 -171.773 -280.068 -131.629 -93.4423 -106.258 50.6951 12.7124 90.562 4.90628 PRESSAVG: 4906800 -47.4398 -65.7147 69.9158 -65.7147 32.9439 -8.44541 69.9158 -8.44545 7.30451 GPRESSAVG: 4906800 -47.3856 -63.9689 68.0283 -66.7252 32.7128 -6.71546 72.9357 -10.3116 8.0405 TIMING: 4906800 CPU: 15519.6, 0.00320051/step Wall: 15519.6, 0.00320051/step, 0.0828577 hours remaining, 238.378906 MB of memory in use. ENERGY: 4906800 4003.1489 20450.5225 14432.6939 240.6888 -203404.0700 2493.0528 0.0000 0.0000 52037.8320 -109746.1310 299.0621 -161783.9630 -109394.8868 298.5667 -118.9865 -91.0416 761940.8855 -2.3971 -2.2108 PRESSURE: 4907000 -76.5335 -142.161 65.6516 -142.16 -181.098 -68.8425 65.6521 -68.8421 274.756 GPRESSURE: 4907000 -81.9939 -232.263 89.6087 -191.618 -132.036 -86.8143 42.2339 -40.8563 334.494 PRESSAVG: 4907000 -27.7819 -28.6037 -22.9384 -28.6037 35.0896 -19.9878 -22.9385 -19.9878 6.39929 GPRESSAVG: 4907000 -29.3327 -31.6135 -22.4934 -26.4538 36.5154 -18.9692 -23.6849 -19.5271 6.02135 TIMING: 4907000 CPU: 15520.2, 0.0031801/step Wall: 15520.2, 0.0031801/step, 0.0821526 hours remaining, 238.378906 MB of memory in use. ENERGY: 4907000 3985.0627 20476.5106 14493.1823 263.8288 -203333.2635 2704.8203 0.0000 0.0000 51715.6231 -109694.2357 297.2104 -161409.8588 -109344.1045 298.2680 5.7082 40.1545 761393.2549 4.5690 4.4014 PRESSURE: 4907200 -35.0559 186.461 -38.956 186.46 -126.872 65.924 -38.9562 65.9248 -61.3803 GPRESSURE: 4907200 -17.1621 67.1548 -40.4338 305.606 -174.669 83.6912 -95.4048 44.9622 25.196 PRESSAVG: 4907200 75.5991 -53.7097 15.1787 -53.7097 -25.5924 -70.73 15.1786 -70.7301 27.2615 GPRESSAVG: 4907200 75.0953 -52.8832 15.6902 -55.2331 -25.7197 -71.1612 14.2077 -69.5685 27.4543 TIMING: 4907200 CPU: 15520.9, 0.00317109/step Wall: 15520.9, 0.00317109/step, 0.0817436 hours remaining, 238.378906 MB of memory in use. ENERGY: 4907200 3977.7444 20560.2478 14504.8983 243.3184 -203623.4242 2671.4047 0.0000 0.0000 52024.5612 -109641.2495 298.9859 -161665.8107 -109280.7908 298.3473 -74.4360 -55.5449 762274.6959 25.7561 25.6099 PRESSURE: 4907400 -48.929 10.0134 226.302 10.0128 13.092 -127.535 226.302 -127.536 -29.1202 GPRESSURE: 4907400 -3.2029 89.4947 216.234 168.371 42.5629 -270.727 232.794 -34.5594 -35.9764 PRESSAVG: 4907400 -24.3722 4.80576 43.344 4.80577 -19.0417 -3.51095 43.344 -3.51104 -3.99414 GPRESSAVG: 4907400 -23.6108 6.24001 43.8274 5.87922 -20.111 -4.88109 44.4112 -3.25458 -3.98417 TIMING: 4907400 CPU: 15521.5, 0.00315914/step Wall: 15521.5, 0.00315914/step, 0.0812601 hours remaining, 238.378906 MB of memory in use. ENERGY: 4907400 3990.0137 20576.6690 14531.4209 237.1571 -203922.0739 2858.6857 0.0000 0.0000 52034.9057 -109693.2218 299.0453 -161728.1275 -109333.9560 298.7655 -21.6524 1.1279 762463.1128 -15.8027 -15.9020 PRESSURE: 4907600 162.665 -90.9922 -110.702 -90.9917 -133.067 2.23599 -110.702 2.23596 -177.19 GPRESSURE: 4907600 169.772 -147.457 -84.0963 -47.7746 -96.2728 8.61221 -273.624 68.6476 -135.054 PRESSAVG: 4907600 20.868 46.9671 -51.6816 46.9671 -30.6571 2.16412 -51.6816 2.1641 15.8684 GPRESSAVG: 4907600 21.1407 44.9183 -52.6762 46.2409 -30.7616 4.42273 -53.8744 1.161 15.7676 TIMING: 4907600 CPU: 15522.1, 0.00316572/step Wall: 15522.1, 0.00316572/step, 0.0812535 hours remaining, 238.378906 MB of memory in use. ENERGY: 4907600 4031.6356 20573.0798 14476.0511 249.9064 -203418.0514 2740.9074 0.0000 0.0000 51862.2201 -109484.2511 298.0529 -161346.4712 -109119.4263 299.0534 -49.1976 -20.5183 762205.9480 2.0264 2.0489 PRESSURE: 4907800 -68.0604 -98.4843 -134.399 -98.4833 -139.142 -256.783 -134.4 -256.783 -94.6048 GPRESSURE: 4907800 -27.197 33.1215 -171.89 -95.4082 -128.437 -281.538 -145.245 -134.763 -59.1968 PRESSAVG: 4907800 24.0328 25.3738 3.59213 25.3738 -1.65742 -57.6396 3.59215 -57.6396 -10.8472 GPRESSAVG: 4907800 24.596 25.3804 2.05746 24.9517 -0.978428 -60.0249 4.84297 -57.0994 -11.455 TIMING: 4907800 CPU: 15522.8, 0.00316/step Wall: 15522.8, 0.00316/step, 0.0809312 hours remaining, 238.378906 MB of memory in use. ENERGY: 4907800 4058.0045 20508.7108 14493.6254 254.1481 -203357.9683 2755.0440 0.0000 0.0000 52052.9038 -109235.5317 299.1488 -161288.4354 -108864.4515 299.7329 -100.6024 -71.6101 762706.1280 3.8427 4.0542 PRESSURE: 4908000 14.7981 155.993 301.372 155.994 104.69 66.6418 301.372 66.6422 227.914 GPRESSURE: 4908000 -35.0656 204.737 350.314 71.9342 106.881 108.891 206.601 -45.9214 348.371 PRESSAVG: 4908000 -0.240071 -20.3628 20.2228 -20.3628 -26.9866 0.318329 20.2228 0.31821 17.3437 GPRESSAVG: 4908000 -0.93281 -19.7639 23.0994 -18.3925 -28.1929 1.36765 18.8754 -1.32068 19.6426 TIMING: 4908000 CPU: 15523.4, 0.00317856/step Wall: 15523.4, 0.00317856/step, 0.0812298 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: 4908000 4074.4151 20669.8786 14463.9692 253.3310 -203973.0762 3125.2717 0.0000 0.0000 51899.1097 -109487.1009 298.2649 -161386.2106 -109145.9053 298.9964 115.8006 140.0623 761974.2803 -3.2943 -3.1610 PRESSURE: 4908200 86.9476 -22.8787 -254.204 -22.878 -86.1232 -60.4331 -254.205 -60.4327 479.743 GPRESSURE: 4908200 162.861 -105.837 -275.44 37.8211 12.3706 -89.7509 -241.204 -31.8365 403.19 PRESSAVG: 4908200 1.78336 38.5223 -12.8821 38.5223 -31.8055 -7.20255 -12.8821 -7.20255 -24.1551 GPRESSAVG: 4908200 2.62191 39.2285 -15.5024 37.5025 -30.787 -6.59224 -11.1687 -6.92346 -26.2128 TIMING: 4908200 CPU: 15524, 0.00317595/step Wall: 15524, 0.00317596/step, 0.0809869 hours remaining, 238.378906 MB of memory in use. ENERGY: 4908200 3954.7476 20483.2673 14581.3508 254.1226 -203919.3720 2952.7648 0.0000 0.0000 52177.8498 -109515.2691 299.8668 -161693.1189 -109147.6827 298.9409 160.1891 192.8071 761187.5395 -18.0591 -18.1260 LDB: ============= START OF LOAD BALANCING ============== 15536.6 LDB: ============== END OF LOAD BALANCING =============== 15536.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15536.6 LDB: ============= START OF LOAD BALANCING ============== 15536.9 LDB: Largest compute 7076 load 0.036166 is 18.5% of average load 0.195540 LDB: Average compute 0.004395 is 2.2% of average load 0.195540 LDB: TIME 15536.9 LOAD: AVG 0.19554 MAX 0.215804 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.734 MB LDB: TIME 15536.9 LOAD: AVG 0.19554 MAX 0.215804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.738 MB LDB: TIME 15536.9 LOAD: AVG 0.19554 MAX 0.215804 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.738 MB LDB: ============== END OF LOAD BALANCING =============== 15536.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15536.9 PRESSURE: 4908400 -117.611 71.4907 158.575 71.4898 -36.0891 -91.4605 158.575 -91.4608 168.943 GPRESSURE: 4908400 -18.8162 64.7919 175.38 106.951 -83.9082 -118.49 162.276 -25.1643 185.218 PRESSAVG: 4908400 -6.67523 3.54816 -28.0176 3.54815 19.647 -20.7348 -28.0176 -20.7348 5.44669 GPRESSAVG: 4908400 -7.59451 4.89194 -25.8935 4.08763 19.9093 -21.2242 -27.55 -19.2427 6.07433 TIMING: 4908400 CPU: 15524.7, 0.003253/step Wall: 15524.7, 0.003253/step, 0.0827707 hours remaining, 234.847656 MB of memory in use. ENERGY: 4908400 3956.4825 20448.7177 14478.3075 240.5092 -203564.3636 2948.3657 0.0000 0.0000 52120.9728 -109371.0080 299.5399 -161491.9809 -109002.0834 298.8281 5.0809 27.4979 762963.0557 6.1395 6.1297 PRESSURE: 4908600 80.3146 -197.526 -67.7128 -197.526 356.466 247.108 -67.7126 247.108 53.8738 GPRESSURE: 4908600 237.278 -202.15 -63.2772 -182.697 258.23 266.57 -234.591 184.374 66.1032 PRESSAVG: 4908600 54.6646 -11.0283 -26.8763 -11.0283 -23.2953 48.5768 -26.8763 48.5768 4.05275 GPRESSAVG: 4908600 55.7292 -12.4391 -28.1955 -11.2488 -24.2576 49.063 -27.3203 48.034 3.61395 TIMING: 4908600 CPU: 15525.3, 0.00315154/step Wall: 15525.3, 0.00315154/step, 0.0800142 hours remaining, 235.050781 MB of memory in use. ENERGY: 4908600 4010.8698 20516.6318 14445.0375 250.8120 -203455.9244 2708.2491 0.0000 0.0000 51987.8345 -109536.4897 298.7748 -161524.3241 -109172.8381 298.9013 163.5516 187.2039 761420.1452 11.8074 11.6952 PRESSURE: 4908800 -234.533 -56.9081 26.4158 -56.9082 -76.7449 285.306 26.4158 285.305 -350.915 GPRESSURE: 4908800 -125.072 -69.7955 114.597 -94.0714 -54.5988 253.762 -33.3276 316.347 -408.201 PRESSAVG: 4908800 4.36602 -32.1777 24.4171 -32.1777 -7.2526 17.3024 24.4172 17.3024 23.0452 GPRESSAVG: 4908800 3.72864 -34.4329 24.1536 -32.4857 -6.4271 16.8958 24.5403 17.0606 23.0964 TIMING: 4908800 CPU: 15525.9, 0.00317296/step Wall: 15525.9, 0.00317296/step, 0.0803816 hours remaining, 235.050781 MB of memory in use. ENERGY: 4908800 4018.8414 20595.8739 14394.9662 240.1973 -203884.6002 2861.0661 0.0000 0.0000 52204.4824 -109569.1730 300.0199 -161773.6554 -109206.3726 299.1122 -220.7308 -195.9573 761088.9103 6.7196 6.7993 PRESSURE: 4909000 -57.0942 57.0758 210.448 57.0756 166.401 371.062 210.448 371.062 213.145 GPRESSURE: 4909000 -45.2958 210.294 135.275 154.364 231.231 331.827 160.343 264.811 224.562 PRESSAVG: 4909000 -26.575 -19.2657 -28.5951 -19.2657 48.5701 -28.3015 -28.5951 -28.3016 -8.602 GPRESSAVG: 4909000 -24.4757 -17.4537 -29.226 -17.4833 47.6315 -27.6736 -29.916 -29.0739 -9.1048 TIMING: 4909000 CPU: 15526.6, 0.00317501/step Wall: 15526.6, 0.00317501/step, 0.0802572 hours remaining, 235.050781 MB of memory in use. ENERGY: 4909000 3919.6784 20538.1120 14549.8934 255.3623 -203755.5938 3055.4214 0.0000 0.0000 51789.6945 -109647.4318 297.6361 -161437.1263 -109292.7891 298.9446 107.4838 136.8323 760432.2306 4.4644 4.6837 PRESSURE: 4909200 -5.23183 -149.739 -119.735 -149.739 -203.716 -14.8971 -119.735 -14.8978 29.6743 GPRESSURE: 4909200 -82.201 -218.312 -184.487 -38.054 -93.6863 8.23885 -120.451 -14.5336 104.402 PRESSAVG: 4909200 -18.4725 11.9421 -28.4048 11.9421 31.3561 84.3121 -28.4048 84.3123 13.5782 GPRESSAVG: 4909200 -19.8305 12.2288 -26.8092 11.616 31.8641 83.5295 -27.9621 83.5924 14.6338 TIMING: 4909200 CPU: 15527.2, 0.00317939/step Wall: 15527.2, 0.00317939/step, 0.0801912 hours remaining, 235.050781 MB of memory in use. ENERGY: 4909200 3973.9775 20450.4151 14389.2607 279.6100 -203497.1938 2471.2718 0.0000 0.0000 51967.8737 -109964.7850 298.6601 -161932.6587 -109596.1343 298.3997 -59.7579 -23.8283 759850.2779 8.8206 8.8892 PRESSURE: 4909400 -243.118 -13.4665 10.462 -13.4676 -439.899 11.9828 10.4623 11.9818 255.57 GPRESSURE: 4909400 -251.965 -39.3578 38.1647 81.0969 -379.401 65.4302 103.537 -89.7564 290.279 PRESSAVG: 4909400 35.9461 -48.7634 3.14715 -48.7634 -26.0759 -37.9334 3.14713 -37.9334 -12.754 GPRESSAVG: 4909400 35.3298 -49.3258 3.22475 -48.4875 -25.6684 -40.258 4.14725 -33.474 -12.5466 TIMING: 4909400 CPU: 15527.9, 0.00317851/step Wall: 15527.9, 0.00317851/step, 0.0799924 hours remaining, 235.050781 MB of memory in use. ENERGY: 4909400 4042.4716 20418.6367 14524.2995 243.1162 -203620.8458 2588.8804 0.0000 0.0000 52023.9987 -109779.4427 298.9826 -161803.4414 -109422.1466 297.9220 -142.4826 -113.6958 759848.8118 -0.9613 -0.9617 PRESSURE: 4909600 -321.656 -53.8871 -188.43 -53.8861 -333.592 41.2123 -188.431 41.213 -125.363 GPRESSURE: 4909600 -225.553 -88.1603 -202.156 -95.1013 -310.452 111.245 -133.184 -129.272 -146.087 PRESSAVG: 4909600 -18.7136 2.49746 9.8803 2.4975 13.8385 -3.51453 9.88031 -3.51457 11.3429 GPRESSAVG: 4909600 -18.7635 4.1065 9.83169 0.186673 13.2468 0.275358 9.02074 -7.21426 12.2597 TIMING: 4909600 CPU: 15528.5, 0.00318228/step Wall: 15528.5, 0.00318228/step, 0.0799106 hours remaining, 235.050781 MB of memory in use. ENERGY: 4909600 4068.7617 20602.8712 14443.3054 255.5526 -203667.1681 2690.2562 0.0000 0.0000 52038.5413 -109567.8797 299.0662 -161606.4210 -109210.4851 298.8420 -260.2034 -227.3637 760721.2899 2.1560 2.2477 PRESSURE: 4909800 -170.95 204.216 -1.97999 204.215 139.729 -91.7436 -1.97957 -91.7424 -275.605 GPRESSURE: 4909800 -166.368 228.459 16.4039 277.839 181.097 -176.598 50.7331 -176.724 -248.604 PRESSAVG: 4909800 -43.1126 11.2167 29.4215 11.2167 -26.3371 26.2457 29.4215 26.2457 -0.143345 GPRESSAVG: 4909800 -41.6484 14.0783 30.012 10.1965 -26.504 25.3687 29.6267 26.8439 -0.994094 TIMING: 4909800 CPU: 15529.1, 0.00317923/step Wall: 15529.1, 0.00317923/step, 0.0796574 hours remaining, 235.050781 MB of memory in use. ENERGY: 4909800 4026.1391 20496.5496 14506.0574 253.9361 -203899.1103 2877.8025 0.0000 0.0000 52197.0544 -109541.5712 299.9772 -161738.6256 -109181.2086 299.0911 -102.2755 -77.9582 761784.1201 -23.1977 -23.0488 PRESSURE: 4910000 138.996 -98.5922 25.7501 -98.5917 348.646 -166.359 25.7498 -166.359 -36.8755 GPRESSURE: 4910000 312.352 -106.271 20.1487 -56.986 289.207 -133.055 -98.0257 -73.2177 -76.2497 PRESSAVG: 4910000 -47.0434 16.7879 35.2199 16.7879 19.6485 32.2385 35.2199 32.2385 19.8412 GPRESSAVG: 4910000 -46.7772 13.6237 34.0192 17.9718 20.307 31.632 35.4567 31.1425 18.628 TIMING: 4910000 CPU: 15529.8, 0.0031693/step Wall: 15529.8, 0.0031693/step, 0.0792326 hours remaining, 235.050781 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: 4910000 4069.5162 20395.5327 14522.0104 248.6538 -203741.4277 2987.6734 0.0000 0.0000 51968.9901 -109549.0513 298.6665 -161518.0413 -109193.8059 299.2410 150.2553 175.1030 761086.4523 -2.5179 -2.6140 PRESSURE: 4910200 -201.878 -149.904 -34.4317 -149.904 155.988 -54.9723 -34.4315 -54.9718 190.476 GPRESSURE: 4910200 -74.386 -126.591 -91.3688 -56.4044 136.41 -119.854 -105.501 -118.07 171.643 PRESSAVG: 4910200 -18.7705 -3.5845 5.11512 -3.58451 8.89279 -25.5766 5.11513 -25.5767 11.4738 GPRESSAVG: 4910200 -19.4575 -4.63018 4.38457 -1.67369 8.72818 -24.2638 4.59956 -24.8934 12.1685 TIMING: 4910200 CPU: 15530.4, 0.00316354/step Wall: 15530.4, 0.00316354/step, 0.0789128 hours remaining, 235.050781 MB of memory in use. ENERGY: 4910200 4027.6862 20469.8794 14475.6169 251.6128 -203368.6143 2615.5675 0.0000 0.0000 51966.0833 -109562.1681 298.6498 -161528.2513 -109205.6988 298.6937 48.1955 77.8890 760782.7688 0.5320 0.4797 PRESSURE: 4910400 -149.785 -80.9583 191.082 -80.9587 -240.435 -58.4195 191.082 -58.4197 360.717 GPRESSURE: 4910400 -128.291 26.4968 203.887 -109.815 -128.519 -22.8063 247.661 51.3213 321.956 PRESSAVG: 4910400 -41.3412 31.799 4.06779 31.7989 57.603 16.6995 4.06783 16.6995 6.53626 GPRESSAVG: 4910400 -42.2842 31.638 5.8512 30.3969 57.6799 17.082 3.10528 16.2961 7.98578 TIMING: 4910400 CPU: 15531, 0.00320883/step Wall: 15531, 0.00320883/step, 0.0798642 hours remaining, 235.050781 MB of memory in use. ENERGY: 4910400 3982.3596 20459.5186 14431.1947 240.0235 -203205.2359 2599.7230 0.0000 0.0000 52206.7654 -109285.6511 300.0330 -161492.4165 -108912.6503 299.2281 -9.8341 21.7153 762074.4671 7.5994 7.7938 PRESSURE: 4910600 -307.319 6.21879 47.0032 6.21866 -49.3114 145.961 47.0027 145.961 -367.417 GPRESSURE: 4910600 -222.296 -19.3656 42.8653 -79.802 -123.711 223.896 -67.4781 92.6736 -280.239 PRESSAVG: 4910600 -23.2777 -43.4629 16.1474 -43.4629 20.9231 -3.98978 16.1475 -3.98975 -11.1821 GPRESSAVG: 4910600 -21.7882 -44.9514 14.986 -44.1608 20.2005 -3.89118 19.3462 -2.39897 -11.8079 TIMING: 4910600 CPU: 15531.7, 0.00321106/step Wall: 15531.7, 0.00321106/step, 0.0797413 hours remaining, 235.050781 MB of memory in use. ENERGY: 4910600 4032.5106 20549.5693 14492.3411 243.0269 -203361.0799 2653.8751 0.0000 0.0000 51992.4786 -109397.2784 298.8015 -161389.7570 -109044.0430 299.0840 -241.3492 -208.7487 761713.3525 -4.5122 -4.4652 PRESSURE: 4910800 116.256 93.0542 61.6547 93.0552 238.662 -25.8838 61.6546 -25.8835 296.981 GPRESSURE: 4910800 153.671 124.92 129.825 102.091 285.718 -57.6516 25.0039 -45.9654 315.891 PRESSAVG: 4910800 -29.0198 -23.7904 28.5037 -23.7904 24.1669 -13.0259 28.5037 -13.0259 -7.43755 GPRESSAVG: 4910800 -29.0126 -22.337 29.9336 -22.2352 24.5997 -13.9795 25.5427 -14.6465 -7.96572 TIMING: 4910800 CPU: 15532.3, 0.00320017/step Wall: 15532.3, 0.00320017/step, 0.0792932 hours remaining, 235.050781 MB of memory in use. ENERGY: 4910800 3941.3749 20447.4098 14520.0740 257.7390 -203354.7384 2608.8074 0.0000 0.0000 52233.6706 -109345.6626 300.1876 -161579.3332 -108991.6424 299.1440 217.3000 251.7600 760499.8701 -4.0968 -4.1262 PRESSURE: 4911000 -190.069 2.09533 64.2395 2.09612 125.811 -14.8913 64.2396 -14.8904 -244.169 GPRESSURE: 4911000 -159.717 -21.1699 20.0219 -21.9847 130.354 -84.9621 32.3716 -28.576 -210.348 PRESSAVG: 4911000 -29.2116 -10.2109 23.0633 -10.2108 -2.01537 23.5741 23.0633 23.5741 -14.0015 GPRESSAVG: 4911000 -29.2353 -9.12583 23.9584 -11.2282 -2.01051 23.2926 24.5292 24.1194 -13.8946 TIMING: 4911000 CPU: 15533, 0.00319766/step Wall: 15533, 0.00319766/step, 0.0790533 hours remaining, 235.050781 MB of memory in use. ENERGY: 4911000 4024.9249 20506.6897 14501.8092 275.2760 -203355.6887 2574.6033 0.0000 0.0000 52278.2893 -109194.0963 300.4440 -161472.3856 -108836.9039 299.6054 -102.8091 -79.9035 761015.7479 -15.0762 -15.0468 PRESSURE: 4911200 2.29751 -112.422 68.4221 -112.422 1.08841 -116.544 68.4222 -116.544 -306.786 GPRESSURE: 4911200 40.4594 0.179463 52.8602 -105.135 -0.471244 -114.38 107.403 -73.8105 -272.155 PRESSAVG: 4911200 20.9361 8.68729 0.760385 8.68724 -11.1346 -36.6555 0.760331 -36.6555 10.5521 GPRESSAVG: 4911200 19.6081 7.3793 0.190582 8.84794 -10.3713 -38.3318 -0.203423 -34.751 11.0941 TIMING: 4911200 CPU: 15533.6, 0.00318318/step Wall: 15533.6, 0.00318318/step, 0.0785184 hours remaining, 235.050781 MB of memory in use. ENERGY: 4911200 3867.3418 20666.7978 14537.9396 239.3458 -203449.1362 2566.5076 0.0000 0.0000 52353.1116 -109218.0920 300.8741 -161571.2037 -108858.5829 299.9989 -101.1332 -77.3888 759663.8809 6.7845 6.7770 PRESSURE: 4911400 61.0893 -11.165 -78.4902 -11.1656 33.9426 168.268 -78.4912 168.269 201.024 GPRESSURE: 4911400 43.1174 -49.0416 60.3777 63.1949 97.0718 241.658 -119.993 130.345 252.069 PRESSAVG: 4911400 -36.9652 -40.3751 -10.956 -40.3751 -9.31736 16.5251 -10.9559 16.5251 21.6064 GPRESSAVG: 4911400 -37.0468 -39.1895 -11.0456 -39.9405 -9.44176 19.66 -9.38272 12.5473 21.9165 TIMING: 4911400 CPU: 15534.2, 0.0031862/step Wall: 15534.2, 0.0031862/step, 0.078416 hours remaining, 235.050781 MB of memory in use. ENERGY: 4911400 3974.2444 20343.0972 14462.6800 252.1276 -202950.5755 2539.2547 0.0000 0.0000 52084.3868 -109294.7848 299.3297 -161379.1716 -108926.1962 299.5021 98.6851 130.7527 759954.1539 -8.2254 -8.1907 PRESSURE: 4911600 -114.919 -249.865 -13.1006 -249.865 390.898 -43.4854 -13.1007 -43.4855 367.674 GPRESSURE: 4911600 -0.256485 -103.94 37.662 -173.478 387.001 -55.5019 -149.015 -72.3018 360.341 PRESSAVG: 4911600 -46.3067 -31.8995 36.4126 -31.8995 41.6891 -6.34757 36.4127 -6.34757 -8.72786 GPRESSAVG: 4911600 -45.6332 -29.9887 35.1334 -32.8775 41.3806 -7.65687 36.4671 -2.12665 -9.52567 TIMING: 4911600 CPU: 15534.9, 0.0031553/step Wall: 15534.9, 0.0031553/step, 0.0774802 hours remaining, 235.050781 MB of memory in use. ENERGY: 4911600 4062.5609 20603.2272 14532.8501 269.6926 -203136.0927 2517.5633 0.0000 0.0000 51831.4586 -109318.7399 297.8761 -161150.1985 -108967.2059 299.8524 214.5511 249.0287 759774.6583 -4.4485 -4.5928 PRESSURE: 4911800 -61.7923 77.0557 325.005 77.0558 69.502 -22.2866 325.005 -22.2865 276.215 GPRESSURE: 4911800 -48.7431 52.2772 295.328 116.171 161.019 -54.1447 207.894 -84.8727 251.842 PRESSAVG: 4911800 -37.5375 -72.6329 21.4349 -72.6329 33.4876 -32.743 21.4349 -32.7429 14.0972 GPRESSAVG: 4911800 -38.4784 -75.5414 22.6168 -72.7478 33.8418 -32.378 19.7516 -34.8349 15.4395 TIMING: 4911800 CPU: 15535.5, 0.00317747/step Wall: 15535.5, 0.00317747/step, 0.077848 hours remaining, 235.050781 MB of memory in use. ENERGY: 4911800 3985.2184 20430.1064 14534.2150 266.1994 -203343.7528 2582.3109 0.0000 0.0000 52114.1419 -109431.5607 299.5007 -161545.7026 -109063.6403 299.5953 94.6414 121.3726 761186.9610 3.3491 3.6010 PRESSURE: 4912000 -186.373 -42.1976 -201.541 -42.1968 -166.877 38.5805 -201.541 38.5796 -43.2393 GPRESSURE: 4912000 -169.946 55.2731 -289.114 0.524998 -121.974 200.212 -5.25926 67.391 -32.702 PRESSAVG: 4912000 -32.0574 -26.397 17.875 -26.3969 23.256 -38.2634 17.8749 -38.2634 -2.7725 GPRESSAVG: 4912000 -31.6661 -22.9781 18.019 -24.3889 23.9018 -37.2695 18.147 -37.2261 -3.87849 TIMING: 4912000 CPU: 15536.1, 0.0031854/step Wall: 15536.1, 0.0031854/step, 0.0778653 hours remaining, 235.050781 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: 4912000 4060.5621 20579.0437 14495.3693 229.4788 -203591.1254 2718.3457 0.0000 0.0000 52103.4354 -109404.8902 299.4392 -161508.3257 -109045.9972 299.5006 -132.1628 -108.2075 760000.2247 -3.8580 -3.8809 PRESSURE: 4912200 -29.4418 5.92401 10.0817 5.9234 -83.4624 133.868 10.0818 133.869 -179.07 GPRESSURE: 4912200 -42.2135 -111.033 25.6291 86.9191 -47.7443 111.337 68.5703 -2.95184 -104.056 PRESSAVG: 4912200 20.9123 -24.0191 -16.7975 -24.0191 -44.8905 0.816678 -16.7976 0.816576 3.95443 GPRESSAVG: 4912200 20.7841 -28.9953 -16.9223 -23.0646 -44.7531 1.14855 -15.1617 0.419654 4.1593 TIMING: 4912200 CPU: 15536.8, 0.00320053/step Wall: 15536.8, 0.00320053/step, 0.0780573 hours remaining, 235.050781 MB of memory in use. ENERGY: 4912200 3948.6136 20490.7418 14413.0328 253.9638 -202995.3734 2331.9755 0.0000 0.0000 52064.7712 -109492.2747 299.2170 -161557.0459 -109114.1685 299.1972 -97.3247 -64.6712 760591.0633 -6.6746 -6.6032 LDB: ============= START OF LOAD BALANCING ============== 15549.3 LDB: ============== END OF LOAD BALANCING =============== 15549.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15549.3 LDB: ============= START OF LOAD BALANCING ============== 15549.6 LDB: Largest compute 7076 load 0.038893 is 19.9% of average load 0.195611 LDB: Average compute 0.004406 is 2.3% of average load 0.195611 LDB: TIME 15549.6 LOAD: AVG 0.195611 MAX 0.216025 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 15549.6 LOAD: AVG 0.195611 MAX 0.216025 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: TIME 15549.6 LOAD: AVG 0.195611 MAX 0.216025 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.234 MB LDB: ============== END OF LOAD BALANCING =============== 15549.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15549.6 PRESSURE: 4912400 -130.725 75.8488 86.3117 75.8493 -117.972 -211.517 86.312 -211.517 95.592 GPRESSURE: 4912400 -136.962 -22.551 102.557 137.474 -105.184 -190.099 1.00748 -201.667 176.262 PRESSAVG: 4912400 -73.1785 -63.7976 -2.84364 -63.7976 44.9645 41.9275 -2.84365 41.9276 -1.34608 GPRESSAVG: 4912400 -72.2086 -60.2885 -5.61267 -66.751 42.973 41.0072 -3.16877 41.632 -0.811702 TIMING: 4912400 CPU: 15537.4, 0.00327362/step Wall: 15537.4, 0.00327362/step, 0.0796581 hours remaining, 236.882812 MB of memory in use. ENERGY: 4912400 4049.1971 20602.7627 14464.5876 250.6965 -203649.5337 2620.2014 0.0000 0.0000 52019.4681 -109642.6201 298.9566 -161662.0882 -109286.5566 299.7270 -51.0351 -21.9613 760828.8703 -9.8534 -10.0158 PRESSURE: 4912600 314.047 109.37 228.054 109.37 341.921 15.3316 228.054 15.3303 -390.906 GPRESSURE: 4912600 352.766 145.69 162.062 108.443 378.142 10.1171 164.676 -69.0061 -367.538 PRESSAVG: 4912600 -5.71678 -23.0992 -61.1889 -23.0992 0.855319 0.279706 -61.189 0.27977 16.9231 GPRESSAVG: 4912600 -7.16373 -24.1649 -59.1906 -20.5531 1.01314 0.709737 -62.1467 0.134193 18.5925 TIMING: 4912600 CPU: 15538.1, 0.00316903/step Wall: 15538.1, 0.00316903/step, 0.0769369 hours remaining, 236.882812 MB of memory in use. ENERGY: 4912600 4053.3401 20347.6548 14497.2247 229.4463 -203581.9141 2723.6659 0.0000 0.0000 52045.6252 -109684.9571 299.1069 -161730.5823 -109315.6976 298.8070 88.3541 121.1231 760333.2111 4.0205 4.1473 PRESSURE: 4912800 255.785 -153.637 -203.633 -153.637 407.478 28.311 -203.633 28.3119 -41.468 GPRESSURE: 4912800 308.364 -197.923 -110.431 -132.305 461.759 11.0588 -122.564 -8.79526 -70.316 PRESSAVG: 4912800 -16.3028 -5.09423 64.1714 -5.09423 15.0615 -0.51208 64.1714 -0.512054 21.4976 GPRESSAVG: 4912800 -15.2565 -6.41183 65.0272 -6.4153 16.4046 -1.74851 64.0511 -0.0778348 19.2842 TIMING: 4912800 CPU: 15538.7, 0.00318667/step Wall: 15538.7, 0.00318667/step, 0.0771882 hours remaining, 236.882812 MB of memory in use. ENERGY: 4912800 4005.5387 20582.6843 14440.4301 263.9375 -204181.2621 3045.5093 0.0000 0.0000 52092.6507 -109750.5116 299.3772 -161843.1623 -109399.7497 298.6025 207.2650 233.2690 758469.1165 6.7521 6.8108 PRESSURE: 4913000 -69.9963 246.031 -45.4616 246.031 29.8355 -4.19219 -45.4614 -4.19319 279.209 GPRESSURE: 4913000 -52.9579 220.394 -61.3411 105.219 60.4509 -15.9965 32.2515 -17.9967 327.939 PRESSAVG: 4913000 34.7959 -21.7957 -23.7559 -21.7957 -37.5137 7.3748 -23.7559 7.37489 6.6254 GPRESSAVG: 4913000 35.2999 -21.2337 -23.801 -23.1907 -39.2642 7.71479 -22.6365 8.28364 7.13645 TIMING: 4913000 CPU: 15539.3, 0.00318733/step Wall: 15539.3, 0.00318733/step, 0.0770272 hours remaining, 236.882812 MB of memory in use. ENERGY: 4913000 4027.0969 20578.8124 14503.1386 228.5927 -203696.6990 2570.0007 0.0000 0.0000 51745.5152 -110043.5425 297.3822 -161789.0577 -109680.3740 298.3200 79.6826 111.8106 760124.0329 1.3025 1.0574 PRESSURE: 4913200 213.573 66.4756 200.069 66.4746 -44.3268 43.5742 200.069 43.5735 -172.011 GPRESSURE: 4913200 206.61 21.0058 174.029 109.633 34.9818 42.5302 168.248 94.9568 -158.975 PRESSAVG: 4913200 -18.7022 -22.0843 -5.15608 -22.0843 24.2278 27.8562 -5.15607 27.8562 -2.28238 GPRESSAVG: 4913200 -20.9717 -20.9404 -6.84579 -20.9945 25.7321 27.5162 -4.83787 27.0488 -1.51254 TIMING: 4913200 CPU: 15540, 0.00320259/step Wall: 15540, 0.00320259/step, 0.0772179 hours remaining, 236.882812 MB of memory in use. ENERGY: 4913200 3981.5957 20506.5929 14519.9893 262.3343 -203696.7377 2670.6681 0.0000 0.0000 51908.3838 -109847.1736 298.3182 -161755.5574 -109484.0287 298.1933 -0.9218 27.5390 759569.3871 1.0810 1.0826 PRESSURE: 4913400 -231.764 195.901 -123.592 195.9 -52.9831 31.6271 -123.591 31.6274 -252.706 GPRESSURE: 4913400 -156.208 133.258 -160.863 150.916 2.34939 6.60009 -175.182 -5.20948 -293.221 PRESSAVG: 4913400 27.0013 52.5598 -32.324 52.5599 11.023 -2.49959 -32.324 -2.49946 -4.36605 GPRESSAVG: 4913400 28.3303 50.9954 -29.3727 52.8719 11.7915 -2.87208 -33.1173 -1.8619 -6.20852 TIMING: 4913400 CPU: 15540.6, 0.00317936/step Wall: 15540.6, 0.00317936/step, 0.0764814 hours remaining, 236.882812 MB of memory in use. ENERGY: 4913400 3873.0150 20667.2751 14535.4120 239.6779 -203978.5555 2660.6422 0.0000 0.0000 51991.1603 -110011.3730 298.7939 -162002.5333 -109645.8504 298.1028 -179.1509 -149.0268 758941.7307 11.2194 11.3044 PRESSURE: 4913600 58.2952 112.984 -187.861 112.984 -51.5352 133.476 -187.861 133.477 -91.521 GPRESSURE: 4913600 64.3022 111.469 -194.177 62.3372 24.476 158.47 -263.402 140.696 -94.912 PRESSAVG: 4913600 20.465 -7.02501 0.757211 -7.02492 0.994552 -23.3786 0.757167 -23.3786 5.46757 GPRESSAVG: 4913600 18.8273 -6.6611 0.12947 -8.00017 1.6345 -21.8577 0.934115 -21.7674 6.40916 TIMING: 4913600 CPU: 15541.2, 0.00316114/step Wall: 15541.2, 0.00316114/step, 0.0758674 hours remaining, 236.882812 MB of memory in use. ENERGY: 4913600 3901.7979 20439.9117 14577.7907 260.3005 -203289.1360 2446.1965 0.0000 0.0000 51763.9290 -109899.2098 297.4880 -161663.1388 -109539.3257 298.2746 -28.2537 -2.0446 760118.8465 8.9757 8.9570 PRESSURE: 4913800 -177.976 93.3054 -155.488 93.3047 201.406 -58.5277 -155.488 -58.5282 25.606 GPRESSURE: 4913800 -125.006 140.785 -78.3087 82.3069 281.001 -72.6624 -139.099 55.2848 -11.3598 PRESSAVG: 4913800 1.99351 15.1646 7.0538 15.1647 -17.3612 94.8117 7.05381 94.8117 -14.0418 GPRESSAVG: 4913800 2.10919 13.9433 5.09344 15.7639 -17.2796 94.9 8.57639 92.0031 -13.8756 TIMING: 4913800 CPU: 15541.9, 0.00317265/step Wall: 15541.9, 0.00317265/step, 0.0759673 hours remaining, 236.882812 MB of memory in use. ENERGY: 4913800 4011.1949 20459.0039 14458.9861 252.3205 -203511.6672 2528.4561 0.0000 0.0000 51886.7197 -109914.9860 298.1937 -161801.7057 -109548.9070 298.2525 16.3452 48.2114 759379.6043 -9.8032 -9.6820 PRESSURE: 4914000 287.751 12.6531 -150.166 12.6521 306.262 -87.4357 -150.167 -87.4351 -180.404 GPRESSURE: 4914000 338.613 -135.836 -209.493 1.08104 262.404 -81.3516 -205.497 -132.093 -96.9988 PRESSAVG: 4914000 -22.8879 -22.5289 -36.8027 -22.5288 19.7559 42.6092 -36.8027 42.6092 14.1559 GPRESSAVG: 4914000 -18.9731 -23.9189 -34.5285 -21.9213 16.9423 41.532 -39.5295 43.9322 13.4416 TIMING: 4914000 CPU: 15542.5, 0.00316772/step Wall: 15542.5, 0.00316772/step, 0.0756732 hours remaining, 236.882812 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: 4914000 4062.4493 20452.1916 14479.2698 259.4720 -203452.1332 2724.3679 0.0000 0.0000 51703.7617 -109770.6208 297.1422 -161474.3825 -109420.8236 297.7037 137.8697 168.0060 761892.1529 3.6747 3.8036 PRESSURE: 4914200 -335.641 -63.6273 -74.7294 -63.6274 -129.009 169.847 -74.7291 169.846 428.004 GPRESSURE: 4914200 -222.481 -40.0604 -65.9791 -153.21 -193.937 91.7384 -26.5155 216.337 455.328 PRESSAVG: 4914200 26.2011 3.49055 16.9899 3.49057 -35.2725 12.0394 16.99 12.0395 10.323 GPRESSAVG: 4914200 24.0877 5.15423 15.5188 3.37311 -34.4915 12.7127 18.9685 11.954 11.4747 TIMING: 4914200 CPU: 15543.2, 0.00318991/step Wall: 15543.2, 0.00318991/step, 0.0760261 hours remaining, 236.882812 MB of memory in use. ENERGY: 4914200 4010.9783 20490.9284 14487.4867 236.6074 -203439.8681 2603.3756 0.0000 0.0000 51931.8388 -109678.6529 298.4530 -161610.4917 -109322.9520 298.1308 -12.2156 12.9699 761766.3356 0.4172 0.3570 PRESSURE: 4914400 118.561 5.21545 -175.805 5.21621 113.216 123.706 -175.805 123.705 -235.536 GPRESSURE: 4914400 168.489 60.4579 -75.2363 -134.466 162.348 174.538 -47.8779 107.729 -250.072 PRESSAVG: 4914400 46.4174 -20.0335 -28.9867 -20.0336 -13.9669 61.3722 -28.9866 61.3723 -11.8701 GPRESSAVG: 4914400 47.1963 -16.9959 -27.3297 -21.2203 -14.2236 60.5927 -26.782 61.3276 -12.4408 TIMING: 4914400 CPU: 15543.8, 0.0031852/step Wall: 15543.8, 0.0031852/step, 0.0757369 hours remaining, 237.140625 MB of memory in use. ENERGY: 4914400 3983.0868 20529.9106 14445.0339 231.2402 -203651.6398 2582.3787 0.0000 0.0000 52236.0406 -109643.9491 300.2012 -161879.9897 -109275.7337 298.5292 -1.2532 26.9217 758919.4419 6.8601 6.8440 PRESSURE: 4914600 -147.857 -45.7425 49.4192 -45.7427 -29.1374 -112.427 49.4193 -112.427 -638.295 GPRESSURE: 4914600 -194.437 -10.7043 56.9212 -106.189 52.9807 -42.3749 3.83218 -277.628 -587.639 PRESSAVG: 4914600 -27.4723 -34.0435 -12.568 -34.0435 50.6362 47.4687 -12.5679 47.4687 16.0458 GPRESSAVG: 4914600 -28.448 -35.729 -13.2684 -33.9503 51.4127 49.772 -17.0997 47.7271 16.1605 TIMING: 4914600 CPU: 15544.4, 0.00319128/step Wall: 15544.4, 0.00319128/step, 0.0757042 hours remaining, 237.140625 MB of memory in use. ENERGY: 4914600 4023.0751 20669.5814 14552.3390 250.9927 -203606.8300 2339.7521 0.0000 0.0000 51832.3636 -109938.7261 297.8813 -161771.0898 -109572.1333 298.7123 -271.7632 -243.0320 760034.0161 13.0699 13.0417 PRESSURE: 4914800 -142.309 186.632 -0.316127 186.632 49.554 -116.216 -0.316331 -116.217 34.9777 GPRESSURE: 4914800 -61.3181 102.998 32.3655 216.766 11.8081 -77.9461 55.8273 -226.834 81.5101 PRESSAVG: 4914800 5.28205 -9.68182 19.4674 -9.68185 -1.83437 17.4721 19.4673 17.4721 -21.6511 GPRESSAVG: 4914800 5.80753 -10.775 19.7277 -9.2029 -2.39929 17.3155 20.0673 16.7769 -21.362 TIMING: 4914800 CPU: 15545.1, 0.00319842/step Wall: 15545.1, 0.00319842/step, 0.0756959 hours remaining, 237.140625 MB of memory in use. ENERGY: 4914800 4007.2645 20421.5019 14514.7963 250.3703 -203502.3018 2582.4712 0.0000 0.0000 51909.6681 -109816.2295 298.3256 -161725.8976 -109458.8925 298.4381 -19.2592 10.6667 759119.2348 -6.0678 -5.9846 PRESSURE: 4915000 296.021 -335.113 -99.6357 -335.113 -119.326 161.222 -99.636 161.222 283.228 GPRESSURE: 4915000 340.498 -376.838 -35.5738 -220.856 -69.1708 187.548 -53.1305 110.227 288.933 PRESSAVG: 4915000 -17.4387 -2.01456 28.269 -2.01454 -0.910828 30.8785 28.2691 30.8785 -10.261 GPRESSAVG: 4915000 -16.7966 -1.08194 28.624 -1.72277 -0.0069686 31.808 29.1589 29.4929 -11.2543 TIMING: 4915000 CPU: 15545.7, 0.00320848/step Wall: 15545.7, 0.00320848/step, 0.0757557 hours remaining, 237.140625 MB of memory in use. ENERGY: 4915000 4015.6586 20443.6186 14483.9654 250.5068 -203825.3580 2710.9500 0.0000 0.0000 51992.1166 -109928.5421 298.7994 -161920.6587 -109584.1410 298.3597 153.3076 186.7533 757905.1795 -9.5369 -9.3526 PRESSURE: 4915200 -102.12 56.9412 -110.336 56.9421 216.35 235.484 -110.337 235.484 27.7704 GPRESSURE: 4915200 22.9776 53.2954 -94.9184 145.982 127.448 221.217 -126.067 122.424 84.0379 PRESSAVG: 4915200 20.9684 -52.5179 -13.7729 -52.5179 4.7548 48.3393 -13.7729 48.3392 26.256 GPRESSAVG: 4915200 20.6552 -52.052 -14.5487 -53.4004 3.79993 46.643 -11.3664 50.0615 27.6385 TIMING: 4915200 CPU: 15546.3, 0.00319877/step Wall: 15546.3, 0.00319877/step, 0.0753487 hours remaining, 237.140625 MB of memory in use. ENERGY: 4915200 3974.9211 20523.2139 14505.3835 237.5066 -203601.4769 2391.1617 0.0000 0.0000 51980.9460 -109988.3440 298.7352 -161969.2900 -109624.5403 298.4479 47.3334 78.1545 759100.3773 17.3264 17.3646 PRESSURE: 4915400 93.5263 -150.748 71.1421 -150.749 -299.174 -7.70267 71.1418 -7.70191 330.704 GPRESSURE: 4915400 106.644 -249.217 78.5863 -91.1969 -240.272 56.1615 209.718 0.00211203 335.689 PRESSAVG: 4915400 4.00877 -21.1366 -69.5344 -21.1365 -29.6569 28.3066 -69.5345 28.3066 -9.14631 GPRESSAVG: 4915400 5.6048 -21.9637 -68.9252 -18.9117 -29.7199 27.0269 -71.4123 29.4611 -10.2534 TIMING: 4915400 CPU: 15547, 0.00317454/step Wall: 15547, 0.00317455/step, 0.0746018 hours remaining, 237.140625 MB of memory in use. ENERGY: 4915400 3889.9174 20614.6612 14466.4483 236.5785 -203572.1213 2432.0312 0.0000 0.0000 51809.9385 -110122.5462 297.7524 -161932.4847 -109759.3755 298.2929 41.6854 67.3534 757812.9090 -11.5981 -11.4562 PRESSURE: 4915600 -407.884 -52.0352 169.059 -52.034 92.8186 -104.212 169.059 -104.212 -119.865 GPRESSURE: 4915600 -422.782 50.8294 146.04 -85.7232 139.526 -125.126 106.369 -23.251 -54.1491 PRESSAVG: 4915600 -30.237 -22.6492 -1.04164 -22.6491 12.7307 -17.3723 -1.04164 -17.3723 -16.6974 GPRESSAVG: 4915600 -31.754 -22.9581 -2.23187 -23.5429 13.9397 -18.0122 -0.275482 -18.9325 -16.1941 TIMING: 4915600 CPU: 15547.6, 0.00320643/step Wall: 15547.6, 0.00320643/step, 0.0751729 hours remaining, 237.140625 MB of memory in use. ENERGY: 4915600 3971.2801 20638.8098 14429.7578 262.0065 -203695.8641 2490.0578 0.0000 0.0000 52049.5606 -109854.3915 299.1295 -161903.9521 -109487.7916 299.0972 -144.9769 -112.4685 760845.0111 -11.4012 -11.3361 PRESSURE: 4915800 -119.668 -162.399 215.186 -162.399 -53.0474 106.791 215.186 106.791 21.6856 GPRESSURE: 4915800 6.31363 -57.3055 209.687 -77.2655 -140.925 86.0158 102.818 46.2625 73.4462 PRESSAVG: 4915800 12.9123 -24.6666 13.9604 -24.6666 25.014 14.3997 13.9603 14.3997 -11.5733 GPRESSAVG: 4915800 13.5439 -24.0092 13.6998 -24.7978 24.0321 15.6219 11.9576 15.3529 -11.3813 TIMING: 4915800 CPU: 15548.3, 0.00317626/step Wall: 15548.3, 0.00317626/step, 0.0742891 hours remaining, 237.140625 MB of memory in use. ENERGY: 4915800 3971.9797 20568.2036 14510.1657 248.3323 -203678.5997 2718.6911 0.0000 0.0000 51909.6120 -109751.6154 298.3253 -161661.2273 -109389.8995 298.9150 -50.3433 -20.3882 760710.1282 8.7843 8.7316 PRESSURE: 4916000 -151.919 59.8862 -101.936 59.8867 -204.813 -217.478 -101.937 -217.478 7.36255 GPRESSURE: 4916000 -165.651 93.6677 -94.1619 143.019 -143.997 -272.558 -32.6357 -76.7025 41.5159 PRESSAVG: 4916000 -9.60729 20.2131 22.373 20.213 -13.1188 -20.1703 22.373 -20.1703 -37.3691 GPRESSAVG: 4916000 -10.1761 21.6182 22.702 18.8409 -12.1408 -20.669 22.9085 -20.3094 -37.8785 TIMING: 4916000 CPU: 15548.9, 0.0031779/step Wall: 15548.9, 0.0031779/step, 0.074151 hours remaining, 237.140625 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: 4916000 3923.9179 20533.5175 14500.3647 229.6827 -203213.7184 2247.3592 0.0000 0.0000 51902.1817 -109876.6947 298.2826 -161778.8765 -109505.8258 298.6043 -116.4564 -89.3772 761136.5670 -20.0317 -20.0652 PRESSURE: 4916200 173.912 -159.281 71.7734 -159.282 -222.683 -206.264 71.7736 -206.264 457.022 GPRESSURE: 4916200 215.767 -66.834 28.7803 -184.939 -145.306 -179.072 -83.6716 -248.504 421.472 PRESSAVG: 4916200 7.72309 4.65272 37.3365 4.65273 -7.41954 -29.5916 37.3365 -29.5916 -1.59683 GPRESSAVG: 4916200 8.66592 5.64592 37.287 4.31443 -8.65161 -29.0349 37.5302 -29.9721 -1.31518 TIMING: 4916200 CPU: 15549.5, 0.00319729/step Wall: 15549.5, 0.00319729/step, 0.0744257 hours remaining, 237.140625 MB of memory in use. ENERGY: 4916200 3986.0486 20695.6980 14484.5423 243.6387 -203552.2455 2523.3820 0.0000 0.0000 51785.2446 -109833.6914 297.6105 -161618.9359 -109477.6321 298.8209 136.0837 163.9778 759281.6277 -0.4311 -0.4336 LDB: ============= START OF LOAD BALANCING ============== 15562.1 LDB: ============== END OF LOAD BALANCING =============== 15562.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15562.1 LDB: ============= START OF LOAD BALANCING ============== 15562.4 LDB: Largest compute 7077 load 0.036030 is 18.4% of average load 0.195606 LDB: Average compute 0.004410 is 2.3% of average load 0.195606 LDB: TIME 15562.4 LOAD: AVG 0.195606 MAX 0.217733 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.012 MB LDB: TIME 15562.4 LOAD: AVG 0.195606 MAX 0.217733 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.016 MB LDB: TIME 15562.4 LOAD: AVG 0.195606 MAX 0.217733 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.016 MB LDB: ============== END OF LOAD BALANCING =============== 15562.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15562.4 PRESSURE: 4916400 183.793 36.9632 99.4583 36.9632 176.612 137.863 99.4578 137.863 -82.7702 GPRESSURE: 4916400 255.517 103.229 133.471 25.8089 220.985 126.491 112.793 111.526 -106.859 PRESSAVG: 4916400 -16.1653 13.6271 57.2083 13.627 8.49484 -18.128 57.2083 -18.128 -4.96943 GPRESSAVG: 4916400 -16.703 11.1785 57.8409 15.9879 9.41962 -19.05 55.8087 -19.7227 -5.14315 TIMING: 4916400 CPU: 15550.2, 0.00328259/step Wall: 15550.2, 0.00328259/step, 0.076229 hours remaining, 234.531250 MB of memory in use. ENERGY: 4916400 3969.9383 20527.7256 14493.0539 231.6006 -203702.8748 2749.7780 0.0000 0.0000 51789.5459 -109941.2324 297.6352 -161730.7784 -109581.4375 298.4387 92.5447 123.2144 761636.9971 -4.2133 -4.1422 PRESSURE: 4916600 -213.129 -14.1666 277.036 -14.1663 143.076 -112.507 277.037 -112.508 -219.33 GPRESSURE: 4916600 -211.725 24.7456 263.587 -9.43843 179.313 -176.295 291.452 -102.029 -175.292 PRESSAVG: 4916600 -28.3272 3.1783 -2.85569 3.17826 41.2261 -24.0377 -2.85567 -24.0377 -2.98099 GPRESSAVG: 4916600 -28.4293 3.22164 -5.53404 0.895343 41.8385 -24.2888 -0.582957 -22.3733 -3.36507 TIMING: 4916600 CPU: 15550.8, 0.00322726/step Wall: 15550.8, 0.00322726/step, 0.0747649 hours remaining, 234.734375 MB of memory in use. ENERGY: 4916600 3948.4818 20586.0181 14529.8347 253.3342 -203504.0990 2364.8827 0.0000 0.0000 51848.0650 -109973.4827 297.9715 -161821.5477 -109614.5477 298.0758 -96.4610 -69.2347 760909.3476 3.3060 3.3480 PRESSURE: 4916800 81.2368 -125.003 50.2998 -125.003 -3.92093 42.2497 50.3003 42.2492 132.626 GPRESSURE: 4916800 89.8063 -148.86 -34.1956 -68.8159 -2.04018 132.518 162.835 57.3103 200.449 PRESSAVG: 4916800 20.3738 -0.939786 39.3984 -0.939873 11.2709 -61.0201 39.3984 -61.0201 -18.7486 GPRESSAVG: 4916800 21.3363 -2.92886 41.8121 0.739636 10.7914 -58.9372 38.2551 -60.8606 -18.4706 TIMING: 4916800 CPU: 15551.5, 0.00320178/step Wall: 15551.5, 0.00320178/step, 0.0739967 hours remaining, 234.921875 MB of memory in use. ENERGY: 4916800 3926.7090 20464.1094 14524.5539 238.9510 -203665.7275 2804.3896 0.0000 0.0000 51623.4233 -110083.5912 296.6805 -161707.0145 -109725.0504 297.9119 69.9807 96.0716 761040.6993 4.2987 4.5523 PRESSURE: 4917000 5.08799 -41.4095 215.678 -41.4097 -113.557 99.89 215.678 99.8897 -41.5813 GPRESSURE: 4917000 44.3803 -85.6328 123.65 -43.5165 -137.136 113.316 235.748 -89.0477 33.9122 PRESSAVG: 4917000 -43.8543 7.35696 35.7217 7.35696 31.2261 -1.89937 35.7217 -1.89929 -2.04287 GPRESSAVG: 4917000 -45.2754 9.471 36.0103 5.18586 31.0627 -2.01198 34.3931 -3.09431 -1.09733 TIMING: 4917000 CPU: 15552.1, 0.00320548/step Wall: 15552.1, 0.00320548/step, 0.073904 hours remaining, 234.921875 MB of memory in use. ENERGY: 4917000 3937.4040 20414.8621 14542.9783 236.6156 -203505.5741 2502.8616 0.0000 0.0000 51815.9066 -110054.9459 297.7867 -161870.8525 -109689.2835 297.7089 -50.0169 -19.6145 760191.2093 -4.8904 -5.1033 PRESSURE: 4917200 -249.005 3.01906 -223.184 3.01939 15.034 -50.5231 -223.183 -50.5219 29.9357 GPRESSURE: 4917200 -282.299 4.10756 -167.52 0.345061 172.145 -11.936 -196.542 -66.0297 -23.9551 PRESSAVG: 4917200 -12.8751 6.26679 9.21158 6.26681 33.4966 19.3719 9.21169 19.372 -5.81555 GPRESSAVG: 4917200 -11.6739 6.70931 9.09721 9.1031 34.2609 19.0174 8.79097 19.9524 -8.10441 TIMING: 4917200 CPU: 15552.8, 0.00319943/step Wall: 15552.8, 0.00319943/step, 0.0735868 hours remaining, 234.921875 MB of memory in use. ENERGY: 4917200 3927.9617 20314.7357 14476.6093 256.3415 -203787.1320 2806.0790 0.0000 0.0000 51855.5191 -110149.8856 298.0144 -162005.4047 -109790.9040 297.9068 -68.0116 -44.7030 760905.2459 4.9353 4.8275 PRESSURE: 4917400 -151.779 68.3439 -111.018 68.3433 84.4581 81.5402 -111.017 81.5398 -423.87 GPRESSURE: 4917400 -163.527 -39.1054 -24.789 99.0313 110.656 67.1545 -111.738 111.791 -339.095 PRESSAVG: 4917400 -14.5764 8.6605 28.4357 8.66048 12.4637 2.00776 28.4357 2.00785 -3.8273 GPRESSAVG: 4917400 -14.6848 6.74828 27.6311 6.92279 11.3666 2.17186 28.7369 2.97434 -2.37955 TIMING: 4917400 CPU: 15553.4, 0.00320089/step Wall: 15553.4, 0.00320089/step, 0.0734427 hours remaining, 234.921875 MB of memory in use. ENERGY: 4917400 3977.7615 20308.4801 14527.6793 251.0510 -203540.2242 2527.9383 0.0000 0.0000 51840.9645 -110106.3496 297.9307 -161947.3141 -109742.9213 298.1274 -163.7303 -130.6554 759585.1886 -1.9800 -1.8993 PRESSURE: 4917600 -1.1535 -3.86839 157.833 -3.86838 99.9291 93.4598 157.833 93.4599 157.677 GPRESSURE: 4917600 -41.2205 -33.3314 210.059 -91.8931 166.749 4.01349 94.6571 175.223 233.615 PRESSAVG: 4917600 18.5478 19.1453 2.96205 19.1453 34.1368 -15.2403 2.96206 -15.2403 5.02171 GPRESSAVG: 4917600 18.4528 22.6067 4.78403 17.3568 33.3707 -16.4439 2.40349 -15.6056 5.47714 TIMING: 4917600 CPU: 15554, 0.00318675/step Wall: 15554, 0.00318675/step, 0.0729412 hours remaining, 234.921875 MB of memory in use. ENERGY: 4917600 3879.3390 20545.7290 14462.4474 247.2448 -203987.5525 2792.4162 0.0000 0.0000 51675.3528 -110385.0232 296.9790 -162060.3760 -110025.3090 297.1499 85.4841 119.7144 760106.2869 19.2354 19.1002 PRESSURE: 4917800 -75.6282 -267.057 224.899 -267.057 -63.5479 263.343 224.899 263.343 -213.623 GPRESSURE: 4917800 -62.9403 -214.159 183.364 -138.606 34.5193 203.452 145.798 189.347 -240.129 PRESSAVG: 4917800 -19.8426 37.4389 -3.76102 37.4389 -10.553 -36.4387 -3.76105 -36.4386 -2.26818 GPRESSAVG: 4917800 -19.0194 35.7186 -4.8351 39.2497 -9.70077 -35.7572 -2.81979 -37.2156 -3.83885 TIMING: 4917800 CPU: 15554.7, 0.0031818/step Wall: 15554.7, 0.00318179/step, 0.072651 hours remaining, 234.921875 MB of memory in use. ENERGY: 4917800 3862.8512 20620.6398 14549.2849 237.2021 -203724.4875 2594.5825 0.0000 0.0000 51642.2973 -110217.6298 296.7890 -161859.9271 -109868.2202 297.4355 -117.5997 -89.5167 759646.1603 -10.8879 -10.8530 PRESSURE: 4918000 135.363 23.0073 160.731 23.0067 -12.1192 -56.5139 160.731 -56.514 154.008 GPRESSURE: 4918000 107.358 22.8666 194.967 85.8426 32.3935 -51.4531 84.2817 4.82327 208.824 PRESSAVG: 4918000 38.2867 -38.3736 -34.5621 -38.3736 -43.2908 -42.756 -34.5621 -42.756 -9.02976 GPRESSAVG: 4918000 37.2426 -36.7413 -34.1306 -38.146 -43.13 -43.3125 -35.0872 -42.4966 -8.26663 TIMING: 4918000 CPU: 15555.3, 0.00318745/step Wall: 15555.3, 0.00318745/step, 0.072603 hours remaining, 234.921875 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: 4918000 3937.1714 20414.7545 14526.2588 242.6300 -203936.4104 2944.9016 0.0000 0.0000 51862.2731 -110008.4211 298.0532 -161870.6942 -109651.1913 297.8142 92.4174 116.1917 759859.5037 -4.6779 -4.7180 PRESSURE: 4918200 -169.81 98.5363 72.0495 98.5359 -47.1854 136.204 72.0499 136.203 -686.617 GPRESSURE: 4918200 -117.708 111.873 68.0233 115.854 -66.6401 90.8727 59.7661 299.943 -655.365 PRESSAVG: 4918200 -25.3928 4.8966 13.1392 4.89655 28.9471 -22.7068 13.1391 -22.7068 -2.90087 GPRESSAVG: 4918200 -25.5813 2.17769 12.952 6.86549 28.4687 -21.6211 14.2319 -23.2197 -2.75291 TIMING: 4918200 CPU: 15555.9, 0.00318458/step Wall: 15555.9, 0.00318458/step, 0.0723608 hours remaining, 234.921875 MB of memory in use. ENERGY: 4918200 4071.6221 20454.1611 14495.5530 253.6660 -203935.6492 2921.6286 0.0000 0.0000 51699.4757 -110039.5427 297.1176 -161739.0184 -109679.6518 297.8074 -301.2039 -279.9044 761113.8700 0.2178 0.0449 PRESSURE: 4918400 -92.2968 -26.9107 136.942 -26.9115 99.194 -1.35599 136.941 -1.35783 333.686 GPRESSURE: 4918400 1.18611 -13.0117 168.043 -41.5674 120.07 -4.9796 203.307 56.6057 302.494 PRESSAVG: 4918400 -31.9048 -32.551 6.85248 -32.551 -6.67512 -45.1866 6.85251 -45.1867 0.635855 GPRESSAVG: 4918400 -30.4819 -29.9433 7.12113 -34.8301 -7.02501 -46.3256 6.19709 -44.1472 -0.0974037 TIMING: 4918400 CPU: 15556.6, 0.0031603/step Wall: 15556.6, 0.0031603/step, 0.0716335 hours remaining, 234.921875 MB of memory in use. ENERGY: 4918400 4019.2852 20479.3196 14413.7352 249.9147 -203556.5608 2541.8660 0.0000 0.0000 51928.9454 -109923.4947 298.4364 -161852.4402 -109557.5458 297.6965 113.5278 141.2503 760165.8200 -12.6480 -12.5348 PRESSURE: 4918600 -188.273 121.289 -123.643 121.288 -89.2747 -130.016 -123.642 -130.017 -77.577 GPRESSURE: 4918600 -113.099 44.6097 -141.818 38.3746 -59.8481 -79.6353 -158.264 -177.677 -100.926 PRESSAVG: 4918600 38.7749 -13.0362 -62.0679 -13.0362 2.2095 -59.8469 -62.0678 -59.8469 3.21443 GPRESSAVG: 4918600 36.816 -12.6639 -61.5152 -12.3203 4.26925 -59.9692 -61.9385 -60.207 3.55831 TIMING: 4918600 CPU: 15557.2, 0.00317818/step Wall: 15557.2, 0.00317818/step, 0.0718623 hours remaining, 234.921875 MB of memory in use. ENERGY: 4918600 3983.8052 20437.8949 14395.1467 238.5692 -203353.3026 2456.1482 0.0000 0.0000 52048.6404 -109793.0979 299.1243 -161841.7383 -109428.7536 298.3926 -118.3748 -91.2910 759758.1998 14.7329 14.8812 PRESSURE: 4918800 -182.433 -9.53109 25.2231 -9.53036 144.517 -273.05 25.2227 -273.051 -248.235 GPRESSURE: 4918800 -144.173 35.9347 12.0944 -65.9291 130.756 -204.355 -139.595 -271.638 -188.565 PRESSAVG: 4918800 -20.8926 9.72642 -47.4031 9.72636 34.7584 -55.6044 -47.403 -55.6044 -18.669 GPRESSAVG: 4918800 -19.1609 9.66712 -48.9474 10.7941 33.189 -56.9431 -47.4785 -56.0687 -18.7158 TIMING: 4918800 CPU: 15557.8, 0.0031697/step Wall: 15557.8, 0.0031697/step, 0.0714943 hours remaining, 234.921875 MB of memory in use. ENERGY: 4918800 3918.9373 20569.3056 14500.4892 240.5695 -203279.8673 2503.8554 0.0000 0.0000 51736.6251 -109810.0852 297.3311 -161546.7103 -109455.8961 298.3275 -95.3839 -67.3274 760459.3406 -1.6011 -1.5626 PRESSURE: 4919000 56.5069 109.524 269.925 109.524 1.18549 -130.187 269.925 -130.189 -179.365 GPRESSURE: 4919000 79.9524 -19.9825 343.66 203.293 100.092 -119.654 297.629 -225.356 -223.748 PRESSAVG: 4919000 41.3938 4.33791 48.0688 4.33791 19.3945 -34.9719 48.0688 -34.972 15.6743 GPRESSAVG: 4919000 41.1132 3.56271 48.9414 4.42657 19.502 -33.008 48.5978 -35.0585 15.6222 TIMING: 4919000 CPU: 15558.5, 0.00320186/step Wall: 15558.5, 0.00320186/step, 0.0720419 hours remaining, 234.921875 MB of memory in use. ENERGY: 4919000 3963.8947 20395.3979 14555.7094 240.9754 -203263.3181 2438.3797 0.0000 0.0000 51784.1101 -109884.8509 297.6040 -161668.9610 -109522.9419 298.3137 -40.5577 -14.5676 759996.7887 25.4875 25.4125 PRESSURE: 4919200 -88.7821 57.6392 86.7669 57.6395 -369.982 266.999 86.7662 266.998 -300.451 GPRESSURE: 4919200 -51.4789 9.32623 58.9506 46.487 -290.609 271.917 79.2308 85.2337 -316.824 PRESSAVG: 4919200 -14.6912 -14.8653 3.33489 -14.8653 -9.34803 -20.435 3.33491 -20.435 15.5423 GPRESSAVG: 4919200 -14.424 -17.0786 4.51246 -15.6411 -7.91752 -20.4737 2.30699 -20.5338 14.4739 TIMING: 4919200 CPU: 15559.1, 0.00318968/step Wall: 15559.1, 0.00318968/step, 0.0715907 hours remaining, 234.921875 MB of memory in use. ENERGY: 4919200 3935.3175 20486.7964 14476.2148 249.9470 -203017.8156 2178.3116 0.0000 0.0000 51902.7933 -109788.4350 298.2861 -161691.2283 -109426.7692 298.3704 -253.0715 -219.6374 762537.5592 -2.8323 -2.6226 PRESSURE: 4919400 -207.803 -34.4231 176.488 -34.4223 202.125 -218.702 176.488 -218.703 250.015 GPRESSURE: 4919400 -97.266 20.0472 217.14 -7.147 175.326 -306.565 139.113 -137.214 236.59 PRESSAVG: 4919400 39.6749 -38.5076 36.2829 -38.5076 -78.8749 27.2165 36.2829 27.2165 -20.4904 GPRESSAVG: 4919400 39.1303 -36.7093 34.6793 -37.4639 -80.0611 25.5594 36.2042 29.2145 -19.1355 TIMING: 4919400 CPU: 15559.8, 0.00317284/step Wall: 15559.8, 0.00317284/step, 0.0710364 hours remaining, 234.921875 MB of memory in use. ENERGY: 4919400 3913.5999 20327.2821 14474.0936 237.5529 -203105.9000 2494.6145 0.0000 0.0000 51933.0163 -109725.7407 298.4598 -161658.7570 -109371.2362 297.9832 81.4455 104.8833 761938.8607 -19.8968 -20.0221 PRESSURE: 4919600 -144.818 67.5561 59.8508 67.556 -197.526 -106.679 59.8509 -106.678 41.8922 GPRESSURE: 4919600 -116.825 43.3049 -3.10599 89.1095 -148.605 -81.7717 85.0883 -50.1721 53.3665 PRESSAVG: 4919600 8.50274 9.86667 -2.54959 9.86665 -5.95897 18.3541 -2.5496 18.3541 25.3649 GPRESSAVG: 4919600 8.94442 10.6182 -2.0446 8.67544 -6.99542 20.1605 -2.63711 17.5924 25.9183 TIMING: 4919600 CPU: 15560.4, 0.00318085/step Wall: 15560.4, 0.00318086/step, 0.0710391 hours remaining, 234.921875 MB of memory in use. ENERGY: 4919600 3919.3622 20444.1820 14501.5181 256.9343 -203528.2231 2706.2530 0.0000 0.0000 51964.1812 -109735.7924 298.6389 -161699.9737 -109375.2040 298.2595 -100.1505 -70.6880 761171.9521 9.3029 9.2891 PRESSURE: 4919800 116.349 -8.48735 100.382 -8.48712 -87.8196 -197.281 100.382 -197.282 16.0136 GPRESSURE: 4919800 114.085 -28.3061 69.5846 -106.168 -82.2753 -200.817 77.7428 -170.853 110.782 PRESSAVG: 4919800 51.7489 4.34523 -30.8109 4.3452 -18.0201 -7.39896 -30.8108 -7.39893 11.5734 GPRESSAVG: 4919800 51.9415 4.53337 -30.7846 4.45822 -17.8309 -8.05412 -31.1748 -8.61457 11.7673 TIMING: 4919800 CPU: 15561, 0.00317428/step Wall: 15561, 0.00317428/step, 0.0707159 hours remaining, 234.921875 MB of memory in use. ENERGY: 4919800 3950.0662 20559.2863 14462.1526 239.5983 -203742.9701 2901.5771 0.0000 0.0000 51963.2908 -109666.9988 298.6337 -161630.2896 -109309.0353 298.5439 14.8478 47.5307 760376.7205 15.1007 15.2927 PRESSURE: 4920000 268.825 -108.589 -38.0343 -108.59 -226.264 -86.3406 -38.0341 -86.3398 -224.762 GPRESSURE: 4920000 160.404 -56.6932 -120.138 22.2463 -108.617 -86.8987 26.1151 -136.92 -151.153 PRESSAVG: 4920000 -17.9177 16.3757 -46.4942 16.3758 -12.6282 -45.1362 -46.4942 -45.1362 -28.4867 GPRESSAVG: 4920000 -17.6426 16.3675 -47.1135 17.6807 -12.1197 -44.4102 -46.7342 -46.2906 -28.4016 TIMING: 4920000 CPU: 15561.7, 0.00318181/step Wall: 15561.7, 0.00318181/step, 0.0707069 hours remaining, 234.921875 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: 4920000 3928.4271 20602.6625 14471.8659 250.2322 -203355.4052 2535.2042 0.0000 0.0000 52000.1034 -109566.9099 298.8453 -161567.0133 -109223.2239 299.0333 -60.7337 -33.1217 761678.7081 -19.6775 -19.3880 PRESSURE: 4920200 53.0922 143.682 -81.5722 143.682 6.67048 -65.2245 -81.5724 -65.2258 75.488 GPRESSURE: 4920200 112.33 104.011 -72.3275 65.8024 56.0983 -47.1201 -95.724 -50.7438 38.2561 PRESSAVG: 4920200 -35.4654 -17.8434 -13.0425 -17.8434 1.258 -16.3649 -13.0425 -16.365 -0.459329 GPRESSAVG: 4920200 -36.0728 -17.7825 -12.8591 -18.2794 1.50431 -17.1225 -12.7368 -16.2403 -0.260673 TIMING: 4920200 CPU: 15562.3, 0.00318517/step Wall: 15562.3, 0.00318517/step, 0.0706046 hours remaining, 234.921875 MB of memory in use. ENERGY: 4920200 3893.3515 20463.6081 14477.4488 240.6072 -203335.6739 2574.1976 0.0000 0.0000 52043.0780 -109643.3827 299.0923 -161686.4607 -109282.9947 298.5504 45.0835 68.8947 762450.4405 -11.5556 -11.6097 LDB: ============= START OF LOAD BALANCING ============== 15574.8 LDB: ============== END OF LOAD BALANCING =============== 15574.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15574.8 LDB: ============= START OF LOAD BALANCING ============== 15575.2 LDB: Largest compute 7077 load 0.036209 is 18.5% of average load 0.195524 LDB: Average compute 0.004419 is 2.3% of average load 0.195524 LDB: TIME 15575.2 LOAD: AVG 0.195524 MAX 0.217519 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.473 MB LDB: TIME 15575.2 LOAD: AVG 0.195524 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: TIME 15575.2 LOAD: AVG 0.195524 MAX 0.217519 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.676 MB LDB: ============== END OF LOAD BALANCING =============== 15575.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15575.2 PRESSURE: 4920400 -250.693 -60.0569 -42.9575 -60.0574 -258.171 2.38125 -42.9581 2.38131 -225.069 GPRESSURE: 4920400 -288.8 -11.1776 -66.5475 22.566 -176.134 42.5946 43.5021 114.202 -183.509 PRESSAVG: 4920400 -6.11879 -49.3888 -76.598 -49.3888 -2.78035 46.6259 -76.598 46.6259 -1.78577 GPRESSAVG: 4920400 -5.32494 -47.8562 -75.999 -49.8835 -2.40953 46.8385 -76.6888 49.3862 -2.54037 TIMING: 4920400 CPU: 15563, 0.00324728/step Wall: 15563, 0.00324728/step, 0.0718009 hours remaining, 236.222656 MB of memory in use. ENERGY: 4920400 3951.1798 20499.7986 14506.6325 249.9683 -203338.2978 2509.4155 0.0000 0.0000 51825.1209 -109796.1823 297.8397 -161621.3032 -109432.5680 298.5392 -244.6442 -216.1478 761294.6792 -3.5616 -3.4249 PRESSURE: 4920600 82.7747 -97.7013 30.3226 -97.7019 11.6759 63.2845 30.3227 63.2836 -123.636 GPRESSURE: 4920600 171.017 -140.895 51.9161 22.5047 10.6351 94.8616 122.022 165.766 -142.128 PRESSAVG: 4920600 -50.9385 5.48588 -25.9663 5.48589 -5.50751 42.8101 -25.9662 42.81 -6.81909 GPRESSAVG: 4920600 -50.2448 2.94669 -26.3017 6.63617 -5.61792 44.6861 -24.9231 42.368 -7.39415 TIMING: 4920600 CPU: 15563.6, 0.00317319/step Wall: 15563.6, 0.00317319/step, 0.0699864 hours remaining, 236.222656 MB of memory in use. ENERGY: 4920600 3990.7525 20452.7792 14509.5075 248.2770 -203922.4360 2989.7929 0.0000 0.0000 51958.2491 -109773.0776 298.6048 -161731.3267 -109400.9218 298.6414 -9.7286 13.1748 761822.8317 -21.0884 -21.0856 PRESSURE: 4920800 270.061 148.184 186.33 148.184 -15.5752 70.1189 186.329 70.1192 52.2133 GPRESSURE: 4920800 217.298 64.8572 169.659 -37.1563 30.3113 -40.647 211.47 9.85489 138.14 PRESSAVG: 4920800 3.84201 -31.7791 -25.8124 -31.7791 21.8181 -40.1475 -25.8124 -40.1475 4.84586 GPRESSAVG: 4920800 1.77856 -30.2615 -25.2763 -33.6434 21.7867 -43.1935 -24.5285 -41.865 6.7292 TIMING: 4920800 CPU: 15564.2, 0.00317654/step Wall: 15564.2, 0.00317654/step, 0.0698839 hours remaining, 236.222656 MB of memory in use. ENERGY: 4920800 4009.7958 20561.4501 14443.3721 259.7958 -203999.9407 3219.0049 0.0000 0.0000 52137.4553 -109369.0668 299.6347 -161506.5220 -109004.5261 298.6746 102.2329 128.5829 760927.4027 10.1687 10.0982 PRESSURE: 4921000 95.5375 -56.1603 34.9253 -56.1607 220.038 5.57009 34.9249 5.57086 113.813 GPRESSURE: 4921000 103.052 72.7535 33.3468 -8.7986 225.362 -40.5543 93.583 17.8818 165.747 PRESSAVG: 4921000 25.154 -38.572 -24.3036 -38.5719 6.07428 -30.8953 -24.3036 -30.8952 -32.5869 GPRESSAVG: 4921000 25.8264 -36.1701 -24.4066 -39.2148 6.47862 -29.9373 -24.9584 -31.2206 -33.675 TIMING: 4921000 CPU: 15564.9, 0.00315761/step Wall: 15564.9, 0.00315761/step, 0.069292 hours remaining, 236.222656 MB of memory in use. ENERGY: 4921000 3944.2104 20480.0992 14536.2993 237.7452 -203184.1838 2551.9490 0.0000 0.0000 52043.1386 -109390.7421 299.0926 -161433.8807 -109032.2778 298.9601 143.1295 164.7205 760525.6019 -0.4529 -0.4567 PRESSURE: 4921200 -258.036 -211.072 -202.651 -211.073 -383.488 70.2136 -202.651 70.213 45.3152 GPRESSURE: 4921200 -172.169 -103.808 -282.845 -81.254 -296.045 5.30238 -131.54 13.021 -47.3966 PRESSAVG: 4921200 4.81916 10.0213 -17.2125 10.0213 5.02537 -29.0127 -17.2124 -29.0127 -14.805 GPRESSAVG: 4921200 5.3153 7.57072 -17.6244 10.861 5.51185 -29.8908 -17.2218 -27.8172 -15.5816 TIMING: 4921200 CPU: 15565.5, 0.00315863/step Wall: 15565.5, 0.00315863/step, 0.0691389 hours remaining, 236.222656 MB of memory in use. ENERGY: 4921200 3948.7269 20409.2525 14555.0959 269.6908 -203439.5742 2670.6652 0.0000 0.0000 52111.6402 -109474.5027 299.4863 -161586.1429 -109112.3188 298.6930 -198.7362 -171.8700 763079.0588 -1.6535 -1.5848 PRESSURE: 4921400 507.894 51.6806 -121.455 51.681 140.444 -55.6807 -121.455 -55.6812 -217.378 GPRESSURE: 4921400 530.18 56.9243 9.99407 -37.6955 96.3736 6.98371 -172.888 -127.481 -115.817 PRESSAVG: 4921400 -45.275 -3.52563 25.9385 -3.5256 44.4126 -34.3033 25.9386 -34.3033 -1.92223 GPRESSAVG: 4921400 -44.8496 -3.71527 26.8654 -3.94541 43.115 -33.3188 24.4655 -33.9316 -0.617117 TIMING: 4921400 CPU: 15566.1, 0.00316121/step Wall: 15566.1, 0.00316121/step, 0.0690198 hours remaining, 236.222656 MB of memory in use. ENERGY: 4921400 4062.4002 20590.6364 14499.2174 225.3320 -203479.6220 2861.5146 0.0000 0.0000 51884.4479 -109356.0734 298.1806 -161240.5214 -109002.7804 298.8744 143.6532 170.2455 762430.8423 -0.9282 -0.7839 PRESSURE: 4921600 -172.127 40.477 61.6129 40.4763 -224.555 223.449 61.6123 223.449 103.407 GPRESSURE: 4921600 -118.07 16.443 74.5585 -8.76362 -119.899 183.609 92.6625 182.913 20.7384 PRESSAVG: 4921600 -1.14729 37.193 -35.3421 37.193 19.9476 19.7668 -35.342 19.7669 -10.0786 GPRESSAVG: 4921600 -1.98045 38.5926 -36.663 36.979 21.4939 21.3982 -32.3182 17.9597 -11.0777 TIMING: 4921600 CPU: 15566.8, 0.00315773/step Wall: 15566.8, 0.00315773/step, 0.0687684 hours remaining, 236.222656 MB of memory in use. ENERGY: 4921600 4029.7654 20424.3163 14492.0507 254.9859 -203280.7625 2589.2030 0.0000 0.0000 52171.0907 -109319.3506 299.8280 -161490.4413 -108957.3151 299.4790 -97.7584 -72.4100 762990.1615 2.9072 2.8119 PRESSURE: 4921800 -78.5571 174.691 101.333 174.69 159.233 -15.9421 101.333 -15.9418 -230.307 GPRESSURE: 4921800 -67.7543 200.286 32.3587 200.042 139.689 -86.0888 30.3343 -13.235 -121.797 PRESSAVG: 4921800 -69.8464 0.476717 -27.6549 0.476674 101.616 -4.30946 -27.6548 -4.3094 2.36002 GPRESSAVG: 4921800 -69.7321 1.92065 -29.4082 -0.596875 101.682 -5.42619 -29.2953 -3.67631 2.31172 TIMING: 4921800 CPU: 15567.4, 0.00316827/step Wall: 15567.4, 0.00316827/step, 0.0688219 hours remaining, 236.222656 MB of memory in use. ENERGY: 4921800 3985.9759 20640.5512 14598.0168 245.6331 -203131.5697 2506.1579 0.0000 0.0000 51967.8827 -109187.3523 298.6601 -161155.2350 -108829.0865 299.0953 -49.8771 -16.6211 761928.5137 11.3764 11.4206 PRESSURE: 4922000 0.487137 10.8741 -2.38777 10.8728 257.871 19.2791 -2.38755 19.2788 -111.653 GPRESSURE: 4922000 98.6353 9.63205 -45.3235 -108.631 238.293 -35.0881 136.928 32.8372 -119.316 PRESSAVG: 4922000 -16.2009 -4.18932 -18.8123 -4.1893 31.7775 2.32887 -18.8123 2.3289 0.837488 GPRESSAVG: 4922000 -15.6649 -7.64838 -15.7384 -2.00659 31.7432 2.5513 -20.346 2.58279 0.476304 TIMING: 4922000 CPU: 15568, 0.0031584/step Wall: 15568, 0.0031584/step, 0.0684319 hours remaining, 236.222656 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: 4922000 3949.2488 20457.5353 14535.4732 237.0984 -203661.0055 2615.9367 0.0000 0.0000 52585.4813 -109280.2318 302.2095 -161865.7131 -108897.3750 299.8529 48.9018 72.5375 761678.1667 5.4714 5.5182 PRESSURE: 4922200 74.5433 -330.28 -12.2459 -330.28 -131.393 -118.653 -12.2459 -118.652 -113.187 GPRESSURE: 4922200 84.7872 -273.321 62.4398 -324.751 -85.4687 -141.75 87.0854 -12.5919 -72.45 PRESSAVG: 4922200 -18.7696 -5.08747 48.1359 -5.08746 27.966 17.4479 48.1358 17.4479 6.75049 GPRESSAVG: 4922200 -18.7629 -2.92004 46.6249 -7.59254 27.6404 15.0641 49.9109 18.4509 6.85891 TIMING: 4922200 CPU: 15568.7, 0.00316597/step Wall: 15568.7, 0.00316597/step, 0.0684202 hours remaining, 236.222656 MB of memory in use. ENERGY: 4922200 3991.0811 20545.4759 14447.6281 234.3421 -203432.2878 2785.5647 0.0000 0.0000 52064.3915 -109363.8044 299.2148 -161428.1960 -108991.9258 299.3242 -56.6787 -24.3772 761480.4592 5.3156 5.2455 PRESSURE: 4922400 328.105 141.048 85.6441 141.049 256.623 184.615 85.6434 184.615 -95.0903 GPRESSURE: 4922400 353.877 121.104 80.7134 33.0874 274.115 168.798 -67.9837 255.885 -50.0257 PRESSAVG: 4922400 -24.9145 -41.9645 -52.3383 -41.9646 33.8163 47.7679 -52.3384 47.7679 -3.08336 GPRESSAVG: 4922400 -24.9983 -43.962 -52.608 -39.0627 32.4989 48.1823 -51.5805 46.0115 -2.44447 TIMING: 4922400 CPU: 15569.3, 0.00315492/step Wall: 15569.3, 0.00315492/step, 0.068006 hours remaining, 236.222656 MB of memory in use. ENERGY: 4922400 4002.5951 20557.9727 14550.6986 254.8278 -203374.8796 2794.2670 0.0000 0.0000 51894.0187 -109320.4997 298.2356 -161214.5184 -108951.7804 299.0197 163.2126 192.6555 761660.9893 1.9395 1.6854 PRESSURE: 4922600 325.182 81.7321 -126.578 81.732 -188.302 12.6561 -126.578 12.6548 -26.9327 GPRESSURE: 4922600 324.181 66.6059 -106.622 176.926 -170.653 23.6597 -199.5 -30.1808 22.6558 PRESSAVG: 4922600 21.4092 6.97589 -16.7733 6.97588 -68.2352 57.3554 -16.7733 57.3553 -15.33 GPRESSAVG: 4922600 21.0132 8.27976 -16.8154 5.23279 -68.3957 58.7995 -17.9715 58.5469 -15.3601 TIMING: 4922600 CPU: 15569.9, 0.00315086/step Wall: 15569.9, 0.00315086/step, 0.0677434 hours remaining, 236.222656 MB of memory in use. ENERGY: 4922600 3971.8118 20740.2334 14561.6594 260.0053 -203436.9457 2714.0612 0.0000 0.0000 52049.7911 -109139.3834 299.1309 -161189.1745 -108785.3045 299.3741 36.6491 58.7281 761308.1402 -20.7187 -20.9142 PRESSURE: 4922800 -46.6655 -206.948 126.741 -206.948 245.854 -45.752 126.742 -45.753 -240.377 GPRESSURE: 4922800 -19.2895 -197.97 116.839 -225.3 219.087 -0.28829 104.818 110.598 -166.689 PRESSAVG: 4922800 -28.5059 -38.9198 -36.6561 -38.9198 9.97519 -11.0181 -36.6561 -11.0181 15.2627 GPRESSAVG: 4922800 -28.7974 -39.6518 -35.7894 -37.5541 10.6581 -10.9676 -38.7801 -10.2486 14.5035 TIMING: 4922800 CPU: 15570.5, 0.00315413/step Wall: 15570.5, 0.00315413/step, 0.0676386 hours remaining, 236.222656 MB of memory in use. ENERGY: 4922800 3937.9726 20452.8113 14590.5836 258.7799 -203472.3763 2853.2040 0.0000 0.0000 52136.4088 -109242.6160 299.6287 -161379.0249 -108873.1453 299.2955 -13.7294 11.0361 760842.0685 -1.0893 -1.2119 PRESSURE: 4923000 -447.539 -246.084 282.352 -246.084 -271.936 164.66 282.353 164.659 145.591 GPRESSURE: 4923000 -469.579 -222.384 218.212 -249.48 -162.821 166.414 342.9 110.155 145.7 PRESSAVG: 4923000 -29.2882 -54.5797 -40.8558 -54.5797 7.56776 1.43736 -40.8558 1.43735 -2.84924 GPRESSAVG: 4923000 -29.3553 -53.5473 -41.397 -56.2343 6.90067 0.447554 -38.335 -0.935709 -1.97642 TIMING: 4923000 CPU: 15571.2, 0.00316171/step Wall: 15571.2, 0.00316171/step, 0.0676255 hours remaining, 236.222656 MB of memory in use. ENERGY: 4923000 3981.0357 20537.6607 14554.4110 255.4056 -202883.8241 2186.3615 0.0000 0.0000 52098.4609 -109270.4888 299.4106 -161368.9497 -108908.5641 299.5150 -191.2946 -162.2332 761574.7410 -8.1899 -8.1437 PRESSURE: 4923200 448.34 -162.434 6.21591 -162.434 85.3001 217.027 6.21569 217.026 342.603 GPRESSURE: 4923200 464.318 -201.767 13.5661 -60.8561 106.704 126.578 83.7074 283.42 388.297 PRESSAVG: 4923200 -38.4228 -70.64 43.9348 -70.6401 61.9925 5.08541 43.9348 5.08535 -4.47366 GPRESSAVG: 4923200 -37.6422 -70.872 45.28 -69.3298 62.3468 3.17764 42.9777 10.3859 -5.54406 TIMING: 4923200 CPU: 15571.8, 0.00313907/step Wall: 15571.8, 0.00313907/step, 0.0669669 hours remaining, 236.222656 MB of memory in use. ENERGY: 4923200 4017.7440 20626.4054 14537.4170 249.5221 -203638.1918 2990.9021 0.0000 0.0000 52109.5151 -109106.6861 299.4741 -161216.2012 -108745.7416 299.7564 292.0811 319.7731 760510.0373 6.3654 6.3869 PRESSURE: 4923400 -211.612 163.303 129.572 163.302 35.3558 134.139 129.573 134.141 36.1581 GPRESSURE: 4923400 -109.991 25.2144 143.42 131.362 8.73487 100.516 81.5328 230.212 16.2351 PRESSAVG: 4923400 -40.5204 -29.8538 71.1395 -29.8537 6.53196 7.92416 71.1395 7.92417 13.7392 GPRESSAVG: 4923400 -41.2307 -30.0205 71.7882 -29.2306 7.32387 9.20385 72.1865 4.22014 13.6191 TIMING: 4923400 CPU: 15572.4, 0.00315362/step Wall: 15572.4, 0.00315361/step, 0.0671019 hours remaining, 236.222656 MB of memory in use. ENERGY: 4923400 4036.8667 20565.0093 14526.6778 271.9650 -203089.6361 2512.1087 0.0000 0.0000 52012.1667 -109164.8420 298.9146 -161177.0087 -108798.7458 299.3295 -46.6993 -28.3403 761562.4572 -6.7498 -6.7626 PRESSURE: 4923600 -371.611 -31.7825 154.339 -31.7824 106.747 80.9932 154.34 80.9926 99.5332 GPRESSURE: 4923600 -311.983 14.2843 85.4372 -24.6531 135.01 15.7617 166.392 102.219 93.3407 PRESSAVG: 4923600 -13.2776 -8.93524 -27.6632 -8.93522 0.365856 59.7766 -27.6632 59.7766 -2.33843 GPRESSAVG: 4923600 -12.6949 -10.3865 -30.8008 -8.60713 -1.49828 60.566 -27.3342 59.7946 -0.771779 TIMING: 4923600 CPU: 15573.1, 0.00317372/step Wall: 15573.1, 0.00317372/step, 0.0673534 hours remaining, 236.222656 MB of memory in use. ENERGY: 4923600 3916.9901 20510.8683 14498.5875 250.5994 -203243.2468 2450.2061 0.0000 0.0000 52478.4770 -109137.5183 301.5945 -161615.9954 -108773.0605 299.7523 -55.1103 -27.8772 762134.4209 -5.0834 -4.9883 PRESSURE: 4923800 41.3019 -175.327 233.344 -175.327 -112.207 142.197 233.345 142.198 36.3211 GPRESSURE: 4923800 73.1726 -142.929 315.39 -113.296 -114.884 31.1866 264.2 4.13437 77.9326 PRESSAVG: 4923800 -29.5074 -23.7091 79.969 -23.7091 17.661 69.6509 79.969 69.651 4.86674 GPRESSAVG: 4923800 -30.1858 -23.237 81.6632 -24.1959 19.7543 69.4062 80.8416 70.3312 3.8134 TIMING: 4923800 CPU: 15573.7, 0.00316501/step Wall: 15573.7, 0.00316501/step, 0.0669927 hours remaining, 236.222656 MB of memory in use. ENERGY: 4923800 3964.8295 20650.5633 14575.9406 236.4799 -203524.3381 2751.6935 0.0000 0.0000 52105.6806 -109239.1506 299.4521 -161344.8312 -108868.4293 299.8374 -11.5280 12.0738 762215.4219 -2.3266 -2.2061 PRESSURE: 4924000 -31.936 -164.17 -158.066 -164.17 121.256 106.721 -158.066 106.721 -79.5633 GPRESSURE: 4924000 36.7417 -82.8354 -52.7706 -331.551 209.805 114.422 -140.81 87.7811 -156.689 PRESSAVG: 4924000 -32.1549 8.87458 -24.2841 8.87458 48.6559 13.2324 -24.2841 13.2323 14.031 GPRESSAVG: 4924000 -32.2682 8.91361 -26.8966 7.95065 47.6675 13.5168 -25.7762 12.4638 14.6308 TIMING: 4924000 CPU: 15574.3, 0.00316592/step Wall: 15574.3, 0.00316592/step, 0.0668361 hours remaining, 236.222656 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: 4924000 3927.2679 20508.9289 14546.4931 238.4350 -203615.0659 2738.8418 0.0000 0.0000 52308.1675 -109346.9317 300.6158 -161655.0992 -108994.3937 299.9061 3.2521 29.9526 760092.5933 10.1773 10.0100 PRESSURE: 4924200 133.389 -241.7 144.123 -241.7 258.634 -9.84374 144.123 -9.84311 -139.356 GPRESSURE: 4924200 99.0125 -325.535 189.452 -275.203 366.276 -18.4916 159.209 43.2839 -143.647 PRESSAVG: 4924200 -37.0787 -20.7549 0.0929717 -20.7549 35.6977 -22.039 0.0929739 -22.0389 14.5115 GPRESSAVG: 4924200 -35.7944 -19.5058 1.8802 -21.0753 36.1379 -22.3814 -2.89054 -21.3831 12.6105 TIMING: 4924200 CPU: 15575, 0.00314784/step Wall: 15575, 0.00314784/step, 0.0662795 hours remaining, 236.222656 MB of memory in use. ENERGY: 4924200 4003.3544 20628.8339 14439.0850 244.2077 -203634.0226 2655.9962 0.0000 0.0000 52219.4712 -109443.0742 300.1060 -161662.5453 -109082.7707 299.6440 84.2223 107.2141 760209.4055 4.3769 4.3180 LDB: ============= START OF LOAD BALANCING ============== 15587.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15587.5 LDB: =============== DONE WITH MIGRATION ================ 15587.5 LDB: ============= START OF LOAD BALANCING ============== 15587.8 LDB: Largest compute 7076 load 0.034407 is 17.6% of average load 0.195583 LDB: Average compute 0.004400 is 2.2% of average load 0.195583 LDB: TIME 15587.8 LOAD: AVG 0.195583 MAX 0.215279 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.059 MB LDB: TIME 15587.8 LOAD: AVG 0.195583 MAX 0.215279 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: TIME 15587.8 LOAD: AVG 0.195583 MAX 0.215279 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.129 MB LDB: ============== END OF LOAD BALANCING =============== 15587.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15587.8 PRESSURE: 4924400 -144.645 129.236 -57.0164 129.235 5.92395 95.4121 -57.0168 95.4116 -142.939 GPRESSURE: 4924400 -123.639 23.9288 -96.291 153.302 25.5052 52.4212 160.353 75.4747 -113.858 PRESSAVG: 4924400 -20.9968 -46.473 29.3675 -46.473 6.43751 -68.7355 29.3675 -68.7355 26.8734 GPRESSAVG: 4924400 -21.7427 -46.7646 29.4622 -46.6797 5.27362 -70.0165 32.2952 -70.2062 28.9771 TIMING: 4924400 CPU: 15575.6, 0.00323232/step Wall: 15575.6, 0.00323232/step, 0.0678787 hours remaining, 234.679688 MB of memory in use. ENERGY: 4924400 3992.5131 20505.4397 14541.2965 244.0091 -203476.1403 2468.1544 0.0000 0.0000 52204.1848 -109520.5427 300.0182 -161724.7275 -109162.9544 299.6343 -93.8866 -70.6641 760531.8371 4.1047 4.1693 PRESSURE: 4924600 -45.2818 -474.742 -14.3081 -474.743 -207.491 -45.5915 -14.3074 -45.5916 144.333 GPRESSURE: 4924600 100.151 -413.605 0.126731 -355.894 -227.139 -108.379 -98.0767 45.3001 100.643 PRESSAVG: 4924600 -42.3296 -31.8385 -13.0819 -31.8384 47.5083 -21.5742 -13.0819 -21.5742 15.9585 GPRESSAVG: 4924600 -41.3708 -31.8627 -12.4475 -31.5386 47.2281 -21.1979 -14.6238 -18.7436 14.7835 TIMING: 4924600 CPU: 15576.2, 0.00317059/step Wall: 15576.2, 0.00317059/step, 0.0664061 hours remaining, 234.679688 MB of memory in use. ENERGY: 4924600 3970.3505 20570.8164 14516.1254 251.7632 -203251.9535 2327.5623 0.0000 0.0000 52209.3831 -109405.9525 300.0480 -161615.3357 -109044.3462 299.1288 -36.1467 -8.7815 759502.2277 7.0457 6.8803 PRESSURE: 4924800 -77.7346 54.8674 136.237 54.8682 522.575 -214.666 136.238 -214.666 326.446 GPRESSURE: 4924800 35.317 115.303 57.3459 94.8168 505.183 -181.148 147.576 -187.189 300.303 PRESSAVG: 4924800 -50.7023 -31.608 -21.4562 -31.608 27.6633 -32.9053 -21.4563 -32.9053 -4.0386 GPRESSAVG: 4924800 -51.4287 -31.0056 -22.455 -30.3345 28.8433 -29.6948 -22.0351 -32.8017 -3.68214 TIMING: 4924800 CPU: 15576.9, 0.00317265/step Wall: 15576.9, 0.00317265/step, 0.0662731 hours remaining, 234.679688 MB of memory in use. ENERGY: 4924800 3928.1622 20579.1987 14574.2280 259.0133 -203459.1372 2885.4372 0.0000 0.0000 51809.7037 -109423.3941 297.7511 -161233.0979 -109066.4669 299.3135 257.0956 280.2677 760611.3772 -9.0259 -8.7558 PRESSURE: 4925000 -63.9128 36.712 24.9178 36.7122 -165.101 -86.8438 24.9171 -86.8442 -46.1927 GPRESSURE: 4925000 20.2715 -45.5473 -61.3877 -55.8226 -94.4525 -24.0371 -45.8908 -51.6956 -126.634 PRESSAVG: 4925000 -25.4071 -54.3499 -43.4107 -54.3499 65.9826 -11.369 -43.4107 -11.369 -10.8869 GPRESSAVG: 4925000 -25.0338 -56.5702 -42.3195 -54.3336 65.5216 -13.6199 -42.8211 -10.5803 -11.4485 TIMING: 4925000 CPU: 15577.5, 0.00317153/step Wall: 15577.5, 0.00317153/step, 0.0660736 hours remaining, 234.679688 MB of memory in use. ENERGY: 4925000 3968.3194 20613.7705 14538.1200 250.6895 -203461.8438 2401.4507 0.0000 0.0000 52222.7345 -109466.7592 300.1248 -161689.4937 -109102.7122 299.1591 -91.7356 -66.9384 760491.3476 9.8962 9.6798 PRESSURE: 4925200 131.407 0.635987 217.524 0.636124 226.323 51.1635 217.524 51.1633 389.622 GPRESSURE: 4925200 207.042 50.0806 248.051 -86.8126 215.197 -39.909 244.986 -11.3952 418.229 PRESSAVG: 4925200 30.7557 -12.5858 -6.13604 -12.5858 -37.3681 -41.797 -6.13602 -41.797 7.50148 GPRESSAVG: 4925200 30.6256 -11.3565 -6.41375 -12.4737 -37.6593 -41.0826 -5.75874 -42.6159 8.49408 TIMING: 4925200 CPU: 15578.1, 0.0031573/step Wall: 15578.1, 0.0031573/step, 0.0656017 hours remaining, 234.679688 MB of memory in use. ENERGY: 4925200 4018.0421 20533.7754 14537.1715 266.7305 -203341.1412 2458.6208 0.0000 0.0000 52156.3988 -109370.4021 299.7435 -161526.8009 -109015.2689 299.2070 249.1172 280.1559 759174.4863 0.2964 0.4868 PRESSURE: 4925400 -213.357 -163.766 417.305 -163.766 324.667 -29.0116 417.305 -29.0115 56.635 GPRESSURE: 4925400 -158.298 -218.644 349.392 -64.5157 333.5 37.5327 424.165 -69.035 78.4526 PRESSAVG: 4925400 -15.7985 -33.8154 44.9634 -33.8154 31.0779 -34.5263 44.9634 -34.5262 7.57069 GPRESSAVG: 4925400 -16.2339 -31.7927 46.4734 -34.4973 31.6581 -33.4922 44.7832 -35.7421 7.45413 TIMING: 4925400 CPU: 15578.8, 0.00316013/step Wall: 15578.8, 0.00316013/step, 0.0654848 hours remaining, 234.679688 MB of memory in use. ENERGY: 4925400 3929.5246 20534.6862 14515.4358 252.4848 -203215.6116 2568.3194 0.0000 0.0000 51950.9938 -109464.1669 298.5631 -161415.1607 -109095.5684 299.1008 55.9818 84.5515 758431.0765 7.6167 7.6261 PRESSURE: 4925600 -137.391 57.5667 -302.361 57.5668 -100.165 -5.75099 -302.361 -5.7503 93.997 GPRESSURE: 4925600 -61.7596 125.951 -279.116 -40.2763 -101.285 -94.7491 -131.337 42.7314 104.826 PRESSAVG: 4925600 -89.6739 -38.7172 19.1714 -38.7171 40.8818 -23.3291 19.1714 -23.3291 18.7788 GPRESSAVG: 4925600 -89.8753 -39.6463 16.1706 -39.7587 41.805 -25.0356 20.6274 -22.9791 18.1358 TIMING: 4925600 CPU: 15579.4, 0.00317019/step Wall: 15579.4, 0.00317019/step, 0.0655173 hours remaining, 234.679688 MB of memory in use. ENERGY: 4925600 4015.8961 20438.1253 14503.2776 248.4461 -203234.1490 2466.1334 0.0000 0.0000 52185.1429 -109377.1276 299.9087 -161562.2705 -109007.3383 299.1882 -47.8529 -19.4062 758122.6242 -10.0044 -9.9782 PRESSURE: 4925800 -62.7704 47.4923 -323.097 47.4923 -217.133 158.264 -323.097 158.263 100.612 GPRESSURE: 4925800 -131.698 21.916 -332.497 83.6119 -88.1025 132.577 -286.448 223.468 134.789 PRESSAVG: 4925800 -0.26619 11.2016 -15.5338 11.2016 43.7159 -31.4616 -15.5338 -31.4616 18.1229 GPRESSAVG: 4925800 1.35379 9.70232 -13.7163 9.84053 42.4379 -31.6242 -16.4307 -31.0985 18.0913 TIMING: 4925800 CPU: 15580, 0.0031838/step Wall: 15580, 0.0031838/step, 0.0656217 hours remaining, 234.679688 MB of memory in use. ENERGY: 4925800 3988.2431 20666.1840 14488.1585 244.5662 -203292.7625 2475.3644 0.0000 0.0000 52080.6725 -109349.5736 299.3083 -161430.2461 -108993.1377 299.4174 -59.7640 -28.3369 758729.8876 20.5242 20.6277 PRESSURE: 4926000 -147.325 -78.3253 215.161 -78.3262 97.9045 -143.393 215.161 -143.394 18.9148 GPRESSURE: 4926000 -54.475 42.7799 196.874 -104.51 90.2294 -177.305 145.559 -327.649 8.38008 PRESSAVG: 4926000 -29.6141 -41.3958 -8.10014 -41.3958 -18.4764 8.47995 -8.1002 8.47995 14.0719 GPRESSAVG: 4926000 -31.2397 -41.3656 -8.38767 -40.5854 -17.3147 9.37952 -7.23784 7.64943 14.4532 TIMING: 4926000 CPU: 15580.7, 0.00317746/step Wall: 15580.7, 0.00317746/step, 0.0653144 hours remaining, 234.679688 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: 4926000 4005.4027 20575.4961 14558.3295 255.0834 -203521.4281 2598.0320 0.0000 0.0000 51981.0158 -109548.0687 298.7356 -161529.0845 -109186.5223 298.9578 -10.1686 14.7115 758895.9863 -11.3395 -11.3670 PRESSURE: 4926200 -21.5274 -86.049 -14.1811 -86.0491 -151.276 75.8696 -14.1818 75.8693 -77.1002 GPRESSURE: 4926200 -22.6003 -78.7918 -22.3773 -3.45259 -108.033 63.4481 -117.003 33.1618 -25.8866 PRESSAVG: 4926200 5.64806 15.9987 9.80609 15.9987 -0.961473 -27.7991 9.80604 -27.7991 19.1975 GPRESSAVG: 4926200 6.6487 13.8154 10.2028 18.8696 -1.88222 -27.4259 7.06589 -27.9223 19.4991 TIMING: 4926200 CPU: 15581.3, 0.00317887/step Wall: 15581.3, 0.00317887/step, 0.0651667 hours remaining, 234.679688 MB of memory in use. ENERGY: 4926200 3939.9033 20513.3600 14495.1698 250.6971 -203227.6573 2203.1241 0.0000 0.0000 52318.6443 -109506.7587 300.6760 -161825.4030 -109142.2216 299.2003 -83.3014 -52.1733 760186.2041 7.9614 8.0885 PRESSURE: 4926400 283.397 133.022 -84.6942 133.022 321.655 88.4175 -84.6942 88.417 302.701 GPRESSURE: 4926400 339.122 156.364 -107.758 31.0024 322.787 59.4708 -50.6803 -9.61835 340.576 PRESSAVG: 4926400 37.9829 -84.9871 8.59085 -84.9871 -13.938 18.0611 8.59094 18.0612 10.7695 GPRESSAVG: 4926400 37.5121 -82.7986 7.9929 -86.3808 -13.8031 16.8496 7.52691 20.8538 11.3958 TIMING: 4926400 CPU: 15582, 0.00317635/step Wall: 15582, 0.00317635/step, 0.0649386 hours remaining, 234.679688 MB of memory in use. ENERGY: 4926400 3972.1314 20602.8041 14390.5940 254.7592 -203421.0003 2673.7141 0.0000 0.0000 52054.9039 -109472.0936 299.1602 -161526.9975 -109110.8842 299.1510 302.5842 334.1618 759594.6693 11.6048 11.7016 PRESSURE: 4926600 -255.342 169.772 79.2201 169.773 323.257 15.1242 79.2199 15.125 194.526 GPRESSURE: 4926600 -98.2795 -1.97073 171.732 92.1067 245.913 33.0732 155.428 -23.9328 171.431 PRESSAVG: 4926600 -15.5738 18.4173 24.9423 18.4173 84.368 38.4411 24.9423 38.4412 22.4541 GPRESSAVG: 4926600 -14.7612 16.7165 25.1593 18.8218 85.3239 39.8341 27.4759 36.7085 20.7277 TIMING: 4926600 CPU: 15582.6, 0.00317374/step Wall: 15582.6, 0.00317374/step, 0.0647091 hours remaining, 234.679688 MB of memory in use. ENERGY: 4926600 4016.8216 20617.4364 14504.8048 265.4378 -203431.0607 2630.8812 0.0000 0.0000 52017.3490 -109378.3298 298.9444 -161395.6788 -109012.3515 299.0121 87.4806 106.3548 760451.6155 30.4161 30.4301 PRESSURE: 4926800 -192.737 -46.0771 93.174 -46.0772 -155.065 86.2796 93.1749 86.2781 37.59 GPRESSURE: 4926800 -159.282 -75.7715 140.702 5.59741 -124.336 172.563 108.61 78.4348 65.9947 PRESSAVG: 4926800 -29.1038 -1.75583 39.8233 -1.75584 18.1013 56.9399 39.8234 56.9399 9.14306 GPRESSAVG: 4926800 -29.642 -2.71305 39.3435 -1.80723 17.6225 55.4084 39.195 56.4177 10.2213 TIMING: 4926800 CPU: 15583.2, 0.00316953/step Wall: 15583.2, 0.00316953/step, 0.064447 hours remaining, 234.679688 MB of memory in use. ENERGY: 4926800 3898.6666 20659.0871 14421.2945 247.5771 -203358.6538 2663.8826 0.0000 0.0000 51921.1563 -109546.9896 298.3916 -161468.1459 -109190.5231 299.2038 -103.4038 -72.5410 761200.6459 -0.6198 -0.5994 PRESSURE: 4927000 -135.298 81.4085 -11.2363 81.409 -2.32458 106.34 -11.2361 106.34 183.594 GPRESSURE: 4927000 -54.5877 47.6373 -39.0479 -37.2831 -26.0653 100.96 -163.288 56.4654 206.809 PRESSAVG: 4927000 -2.15569 29.3521 -0.00932039 29.3521 1.76483 37.0699 -0.00930617 37.0699 22.5409 GPRESSAVG: 4927000 -2.23092 30.2478 1.46052 29.9323 2.10185 37.3466 0.619188 37.3181 22.4064 TIMING: 4927000 CPU: 15583.9, 0.00315524/step Wall: 15583.9, 0.00315524/step, 0.0639813 hours remaining, 234.679688 MB of memory in use. ENERGY: 4927000 3987.2621 20581.0642 14490.8507 240.8882 -203148.1342 2454.6782 0.0000 0.0000 51856.5067 -109536.8841 298.0201 -161393.3908 -109169.5807 298.9551 15.3239 42.0520 760102.0954 7.3834 7.4258 PRESSURE: 4927200 297.986 -56.996 -10.0388 -56.9955 -296.278 -63.2406 -10.0384 -63.2401 -49.4316 GPRESSURE: 4927200 258.673 -96.2797 39.5551 -42.2326 -201.207 -92.3291 -37.7595 -106.226 -9.82086 PRESSAVG: 4927200 -44.1674 -20.8489 -15.769 -20.8488 42.4741 6.77911 -15.769 6.77907 -1.31025 GPRESSAVG: 4927200 -43.0804 -20.8902 -16.9393 -22.1856 41.6729 7.1907 -17.0935 5.60762 -1.39878 TIMING: 4927200 CPU: 15584.5, 0.00315577/step Wall: 15584.5, 0.00315577/step, 0.0638167 hours remaining, 234.679688 MB of memory in use. ENERGY: 4927200 3961.6208 20451.8817 14406.0801 234.2004 -203003.8422 2524.8066 0.0000 0.0000 52094.3539 -109330.8987 299.3870 -161425.2527 -108962.7452 298.8257 -15.9077 15.8818 762523.0840 -1.0012 -0.9354 PRESSURE: 4927400 -488.22 -12.3863 34.9 -12.3875 -80.8401 -66.2279 34.8988 -66.2286 195.707 GPRESSURE: 4927400 -392.558 -116.026 -12.9021 17.0982 -65.949 -0.875414 179.888 -54.1401 177.765 PRESSAVG: 4927400 -59.3666 -60.8551 -11.6593 -60.8551 41.3678 21.3692 -11.6593 21.3691 5.10475 GPRESSAVG: 4927400 -58.4856 -61.0331 -10.8393 -58.6309 41.2536 21.2088 -10.4045 21.176 5.0657 TIMING: 4927400 CPU: 15585.1, 0.00318485/step Wall: 15585.1, 0.00318485/step, 0.0642279 hours remaining, 234.679688 MB of memory in use. ENERGY: 4927400 4001.3561 20444.9591 14483.2748 246.7707 -203303.6306 2697.6976 0.0000 0.0000 51838.8041 -109590.7681 297.9183 -161429.5722 -109228.9968 299.0983 -124.4511 -93.5806 761865.3271 -4.2980 -4.0554 PRESSURE: 4927600 -174.859 -26.4322 73.3558 -26.4313 10.0328 -101.962 73.3567 -101.962 51.7217 GPRESSURE: 4927600 -187.678 62.1528 56.8091 -93.1698 146.442 -90.3962 -111.194 -92.4245 7.14349 PRESSAVG: 4927600 -32.6343 -15.1802 18.2348 -15.1802 70.2115 0.618354 18.2347 0.618319 27.9936 GPRESSAVG: 4927600 -33.0214 -12.7225 17.6316 -16.0292 70.2648 0.214128 18.7225 0.603538 28.1419 TIMING: 4927600 CPU: 15585.8, 0.00317484/step Wall: 15585.8, 0.00317484/step, 0.0638496 hours remaining, 234.679688 MB of memory in use. ENERGY: 4927600 3937.9255 20428.7732 14489.8600 229.2180 -203459.0843 2624.0733 0.0000 0.0000 51935.2338 -109814.0004 298.4725 -161749.2342 -109457.5815 298.2175 -37.7014 -11.3645 760966.8738 21.8569 21.7951 PRESSURE: 4927800 -138.891 -17.4171 34.1642 -17.4166 -197.894 -6.03511 34.1638 -6.03585 -13.2981 GPRESSURE: 4927800 -48.2461 -28.0186 6.6652 -28.6516 -171.946 2.12154 73.1522 -95.5163 -6.08243 PRESSAVG: 4927800 -9.58336 -1.10243 -19.3962 -1.10245 51.5873 -3.22281 -19.3962 -3.22276 -4.32954 GPRESSAVG: 4927800 -10.8929 -2.42941 -19.0419 -1.9584 52.1795 -2.46757 -20.783 -2.3874 -3.56741 TIMING: 4927800 CPU: 15586.4, 0.00318152/step Wall: 15586.4, 0.00318152/step, 0.0638072 hours remaining, 234.679688 MB of memory in use. ENERGY: 4927800 4027.5591 20397.9847 14466.9417 245.4285 -203424.7797 2714.2371 0.0000 0.0000 51940.4793 -109632.1493 298.5026 -161572.6286 -109260.1288 298.0218 -116.6943 -75.4247 761491.2749 12.5581 12.5731 PRESSURE: 4928000 168.446 -37.2235 62.2561 -37.2243 114.474 138.047 62.2557 138.048 39.3827 GPRESSURE: 4928000 256.48 47.0474 49.9846 104.909 112.298 103.48 49.5086 18.6102 36.834 PRESSAVG: 4928000 -67.9739 -12.9557 3.91701 -12.9557 32.2122 -12.0668 3.91705 -12.0668 4.69064 GPRESSAVG: 4928000 -67.4782 -11.6433 3.10058 -9.82261 32.5871 -12.2766 5.06734 -10.3417 3.76521 TIMING: 4928000 CPU: 15587, 0.0031815/step Wall: 15587, 0.0031815/step, 0.06363 hours remaining, 234.679688 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: 4928000 3969.2472 20509.8460 14545.9313 249.4945 -203888.2230 2842.8317 0.0000 0.0000 52209.6661 -109561.2063 300.0497 -161770.8723 -109189.4551 298.9634 107.4344 135.2040 760234.6184 -10.3570 -10.3753 PRESSURE: 4928200 -138.556 101.614 -18.8265 101.613 -240.402 -57.1575 -18.827 -57.1579 55.3266 GPRESSURE: 4928200 -79.6487 -48.8812 -12.8863 165.147 -221.428 -46.5474 69.8802 -37.8094 58.0087 PRESSAVG: 4928200 13.2918 -21.455 9.32429 -21.455 8.40777 -36.2316 9.32426 -36.2315 8.60411 GPRESSAVG: 4928200 11.5324 -23.6006 9.89472 -23.9665 8.1127 -35.0582 8.43515 -37.4958 10.4399 TIMING: 4928200 CPU: 15587.7, 0.00316786/step Wall: 15587.7, 0.00316786/step, 0.0631811 hours remaining, 234.679688 MB of memory in use. ENERGY: 4928200 3976.0399 20567.7104 14541.6206 252.1903 -203640.1584 2469.1931 0.0000 0.0000 52362.4132 -109470.9910 300.9275 -161833.4042 -109101.8293 299.8801 -107.8770 -81.0228 761813.3278 10.1012 10.0283 LDB: ============= START OF LOAD BALANCING ============== 15600.2 LDB: ============== END OF LOAD BALANCING =============== 15600.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15600.2 LDB: ============= START OF LOAD BALANCING ============== 15600.5 LDB: Largest compute 7026 load 0.037402 is 19.1% of average load 0.195478 LDB: Average compute 0.004401 is 2.3% of average load 0.195478 LDB: TIME 15600.5 LOAD: AVG 0.195478 MAX 0.212209 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.215 MB LDB: TIME 15600.5 LOAD: AVG 0.195478 MAX 0.212209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.418 MB LDB: TIME 15600.5 LOAD: AVG 0.195478 MAX 0.212209 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.418 MB LDB: ============== END OF LOAD BALANCING =============== 15600.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15600.5 PRESSURE: 4928400 -45.2738 -45.1374 38.7716 -45.137 -13.4543 -364.521 38.7718 -364.519 -303.584 GPRESSURE: 4928400 -10.7118 -31.5224 7.69178 -71.0538 57.2647 -322.345 16.2519 -182.679 -319.62 PRESSAVG: 4928400 -21.8581 -45.5243 34.1526 -45.5244 -5.40404 9.79357 34.1526 9.7936 -10.5452 GPRESSAVG: 4928400 -20.4516 -46.6381 33.8272 -45.482 -5.13222 7.1324 32.7093 9.99211 -12.0795 TIMING: 4928400 CPU: 15588.3, 0.00322694/step Wall: 15588.3, 0.00322694/step, 0.0641803 hours remaining, 236.222656 MB of memory in use. ENERGY: 4928400 4072.0945 20460.0322 14516.7430 244.5393 -203552.0850 2720.1250 0.0000 0.0000 52267.4102 -109271.1408 300.3815 -161538.5510 -108896.9305 299.3518 -120.7706 -91.0225 761860.7636 -12.6024 -12.5544 PRESSURE: 4928600 -478.943 -153.025 135.45 -153.025 -135.941 104.472 135.45 104.472 -296.461 GPRESSURE: 4928600 -423.714 -203.822 167.816 -162.026 -138.536 134.373 108.457 63.4137 -254.074 PRESSAVG: 4928600 -50.0416 -25.3346 2.72544 -25.3346 30.3449 40.8302 2.7254 40.8302 20.0388 GPRESSAVG: 4928600 -49.8472 -23.0518 3.07557 -24.9211 29.7627 43.0078 4.68493 40.2441 20.5501 TIMING: 4928600 CPU: 15588.9, 0.00316613/step Wall: 15588.9, 0.00316613/step, 0.0627948 hours remaining, 236.734375 MB of memory in use. ENERGY: 4928600 4071.5122 20596.6668 14480.1072 231.9054 -203275.2608 2456.1636 0.0000 0.0000 52153.9122 -109284.9934 299.7293 -161438.9055 -108923.5913 299.7151 -303.7814 -272.1078 761341.9731 0.1140 0.1552 PRESSURE: 4928800 202.486 -127.338 -30.3462 -127.338 278.337 -99.8765 -30.3458 -99.8763 -291.304 GPRESSURE: 4928800 194.82 -113.234 -24.1251 -201.729 369.977 -52.0414 -60.9486 -31.6174 -279.359 PRESSAVG: 4928800 -25.0626 -69.0894 -67.355 -69.0893 39.5998 -45.1432 -67.355 -45.1432 -8.13125 GPRESSAVG: 4928800 -24.9498 -70.6593 -67.5161 -68.643 40.3348 -44.8222 -66.5903 -44.9111 -8.45935 TIMING: 4928800 CPU: 15589.6, 0.00316563/step Wall: 15589.6, 0.00316563/step, 0.062609 hours remaining, 236.734375 MB of memory in use. ENERGY: 4928800 4088.6048 20524.9079 14496.1520 262.3242 -203768.1866 2911.2308 0.0000 0.0000 52027.8491 -109457.1178 299.0048 -161484.9670 -109088.3102 299.3715 63.1729 95.1461 760762.3156 2.1353 2.3085 PRESSURE: 4929000 -176.936 -115.231 48.5706 -115.231 -19.969 -6.50282 48.5703 -6.50191 133.233 GPRESSURE: 4929000 -79.3654 -161.368 -8.20705 -118.439 4.10912 -5.02133 113.629 -93.7794 95.7045 PRESSAVG: 4929000 -56.1348 -70.4962 -7.25737 -70.4963 66.8341 -23.3707 -7.25738 -23.3708 6.06383 GPRESSAVG: 4929000 -56.7557 -69.3586 -7.57196 -69.3777 66.4366 -24.1466 -8.23771 -22.9651 6.87129 TIMING: 4929000 CPU: 15590.2, 0.00318892/step Wall: 15590.2, 0.00318892/step, 0.0628926 hours remaining, 236.804688 MB of memory in use. ENERGY: 4929000 3943.8902 20429.6066 14507.6077 255.8994 -203433.9584 2545.6217 0.0000 0.0000 52177.9755 -109573.3573 299.8675 -161751.3328 -109199.4746 299.3986 -21.2238 6.8161 762189.7406 5.5877 5.5174 PRESSURE: 4929200 -161.008 -94.9844 -157.234 -94.9845 89.6551 17.282 -157.233 17.2824 128.738 GPRESSURE: 4929200 -37.2216 -123.729 -207.898 -127.382 -5.08965 89.9437 -56.4092 71.92 186.119 PRESSAVG: 4929200 -79.7932 -80.6044 8.42343 -80.6044 35.9982 -6.45284 8.42342 -6.45289 1.3652 GPRESSAVG: 4929200 -78.8685 -79.5323 9.2812 -82.6838 34.8886 -5.95694 10.1814 -7.49026 2.00173 TIMING: 4929200 CPU: 15590.9, 0.00318922/step Wall: 15590.9, 0.00318922/step, 0.0627213 hours remaining, 236.804688 MB of memory in use. ENERGY: 4929200 3974.4006 20607.3983 14514.7031 263.9804 -203351.6595 2596.0567 0.0000 0.0000 51829.0002 -109566.1201 297.8620 -161395.1203 -109195.8012 298.7665 19.1283 47.9360 761825.7548 -14.1433 -13.9927 PRESSURE: 4929400 21.3113 121.946 -139.45 121.946 279.83 -43.0566 -139.449 -43.056 -143.209 GPRESSURE: 4929400 30.4495 155.708 -104.542 88.0944 272.016 50.002 -54.9506 -3.75274 -56.196 PRESSAVG: 4929400 2.06718 -6.03144 21.6018 -6.03146 11.9411 7.69454 21.6018 7.69452 10.2339 GPRESSAVG: 4929400 3.23094 -6.51264 20.3658 -6.56174 11.6066 6.18397 20.4796 9.53215 9.96413 TIMING: 4929400 CPU: 15591.5, 0.00315407/step Wall: 15591.5, 0.00315407/step, 0.0618549 hours remaining, 236.859375 MB of memory in use. ENERGY: 4929400 3890.6562 20448.3898 14549.5403 235.3691 -203386.5613 2575.7004 0.0000 0.0000 52249.3137 -109437.5919 300.2775 -161686.9056 -109061.9675 298.7000 52.6439 82.0899 760762.1138 8.0807 8.2672 PRESSURE: 4929600 -71.2099 106.865 130.41 106.865 247.058 66.0192 130.411 66.0183 -14.8087 GPRESSURE: 4929600 -52.6756 102.178 104.256 26.8299 285.99 62.9589 -11.6089 18.5791 24.9727 PRESSAVG: 4929600 -27.0509 2.45215 16.1391 2.4522 19.1566 50.9345 16.1392 50.9346 -1.34764 GPRESSAVG: 4929600 -27.5839 1.52778 16.9704 4.17569 18.8475 53.9025 14.8356 48.5861 -0.548133 TIMING: 4929600 CPU: 15592.1, 0.00317689/step Wall: 15592.1, 0.00317689/step, 0.0621258 hours remaining, 236.859375 MB of memory in use. ENERGY: 4929600 4001.9481 20502.3607 14464.9765 233.6634 -203452.1100 2699.5171 0.0000 0.0000 51997.7805 -109551.8638 298.8320 -161549.6442 -109181.6089 298.8367 53.6796 86.0957 761833.4860 -3.0807 -3.0949 PRESSURE: 4929800 44.2493 -176.656 -103.105 -176.656 -323.519 324.204 -103.105 324.205 129.96 GPRESSURE: 4929800 220.414 -126.311 -139.354 -132.315 -401.956 360.748 -142.681 211.319 104.948 PRESSAVG: 4929800 -9.23922 -8.86539 35.8165 -8.86538 5.09397 24.3419 35.8165 24.3419 -8.22761 GPRESSAVG: 4929800 -8.46833 -8.68237 34.3474 -8.27445 5.84528 23.2514 38.504 25.9725 -9.83048 TIMING: 4929800 CPU: 15592.8, 0.00318591/step Wall: 15592.8, 0.00318591/step, 0.0621252 hours remaining, 236.859375 MB of memory in use. ENERGY: 4929800 3993.0908 20557.2991 14511.4741 252.3433 -203666.2516 2810.3039 0.0000 0.0000 52006.2465 -109535.4938 298.8806 -161541.7403 -109174.7746 298.5208 -49.7699 -25.5313 761383.1216 -4.1243 -4.1512 PRESSURE: 4930000 -148.895 -64.5669 -115.416 -64.567 298.181 -85.7534 -115.415 -85.754 238.484 GPRESSURE: 4930000 -90.9305 -117.44 -56.3381 -24.2886 322.247 -78.1192 -100.636 -5.17308 219.291 PRESSAVG: 4930000 -1.13835 -32.0159 62.8996 -32.0159 47.1417 29.6026 62.8996 29.6025 -11.4777 GPRESSAVG: 4930000 -1.84775 -28.3799 65.1895 -34.4648 47.9362 30.565 63.0438 29.8365 -11.0516 TIMING: 4930000 CPU: 15593.4, 0.00317365/step Wall: 15593.4, 0.00317365/step, 0.0617099 hours remaining, 236.859375 MB of memory 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 4014.3923 20570.6536 14551.0674 243.7770 -203469.9110 2661.2776 0.0000 0.0000 51876.9209 -109551.8224 298.1374 -161428.7432 -109195.9420 298.9973 129.2569 150.2027 761552.0022 11.5085 11.6789 PRESSURE: 4930200 71.1183 134.175 -210.553 134.175 -3.04881 9.22825 -210.553 9.22805 330.954 GPRESSURE: 4930200 135.313 6.44289 -205.897 175.163 34.375 -17.7522 -231.749 -12.9273 296.416 PRESSAVG: 4930200 -36.47 -24.0388 40.0926 -24.0389 36.7398 33.8261 40.0927 33.8261 -3.24196 GPRESSAVG: 4930200 -36.6366 -27.9174 38.3159 -21.3273 36.0475 32.9746 39.5063 33.6579 -1.87268 TIMING: 4930200 CPU: 15594, 0.00318466/step Wall: 15594, 0.00318466/step, 0.0617471 hours remaining, 236.859375 MB of memory in use. ENERGY: 4930200 3958.2934 20310.5079 14512.2798 260.6303 -203576.6113 2543.2146 0.0000 0.0000 52083.4331 -109908.2522 299.3242 -161991.6853 -109532.2677 298.7509 133.0078 155.3678 761886.9976 -0.9907 -0.8206 PRESSURE: 4930400 -208.296 199.87 -124.588 199.87 -174.612 -215.388 -124.588 -215.389 297.957 GPRESSURE: 4930400 -142.432 222.983 -153.304 86.7733 -62.3575 -172.157 -101.544 -100.451 195.717 PRESSAVG: 4930400 -9.92044 50.7073 7.52636 50.7073 14.8627 -19.263 7.52634 -19.2629 7.83336 GPRESSAVG: 4930400 -8.25633 51.2965 7.98017 48.9395 14.9458 -19.7337 7.24596 -20.0447 6.24529 TIMING: 4930400 CPU: 15594.7, 0.00318072/step Wall: 15594.7, 0.00318072/step, 0.0614939 hours remaining, 236.859375 MB of memory in use. ENERGY: 4930400 3994.8244 20307.6901 14546.1756 246.9009 -203588.2255 2535.4467 0.0000 0.0000 51992.4000 -109964.7878 298.8010 -161957.1878 -109599.5573 297.8468 -28.3169 -3.0243 760356.5818 4.2585 4.3116 PRESSURE: 4930600 -375.098 -198.309 24.1152 -198.309 -228.058 63.742 24.1149 63.7439 77.4549 GPRESSURE: 4930600 -376.129 -204.253 104.971 -158.43 -96.6431 -46.049 11.4114 -61.8787 27.9815 PRESSAVG: 4930600 -27.1968 28.9795 -22.9762 28.9796 12.1819 -10.6745 -22.9762 -10.6746 7.59532 GPRESSAVG: 4930600 -29.5844 30.252 -22.8457 28.9322 14.1267 -9.72882 -22.8435 -12.4815 7.46096 TIMING: 4930600 CPU: 15595.3, 0.00319285/step Wall: 15595.3, 0.00319285/step, 0.061551 hours remaining, 236.859375 MB of memory in use. ENERGY: 4930600 3869.6632 20452.8202 14503.5746 234.4183 -203359.1279 2261.6353 0.0000 0.0000 51968.0625 -110068.9538 298.6612 -162037.0163 -109698.5849 297.6209 -175.2337 -148.2635 761894.6061 -2.4732 -2.6656 PRESSURE: 4930800 -84.4687 98.1204 -87.4395 98.1209 -436.023 -50.4076 -87.4392 -50.4079 -85.4643 GPRESSURE: 4930800 -114.331 178.744 -167.344 143.388 -401.671 34.7476 -1.90725 -178.902 12.6876 PRESSAVG: 4930800 -31.8134 36.6602 -5.40914 36.6602 -8.843 20.3185 -5.40919 20.3184 7.5605 GPRESSAVG: 4930800 -31.2125 34.7788 -3.56763 37.7625 -9.27983 19.7655 -5.97027 21.1245 7.69742 TIMING: 4930800 CPU: 15595.9, 0.00315974/step Wall: 15595.9, 0.00315974/step, 0.0607372 hours remaining, 236.859375 MB of memory in use. ENERGY: 4930800 3995.5815 20291.0684 14513.5563 254.7853 -203542.5258 2655.8068 0.0000 0.0000 51806.3917 -110025.3358 297.7320 -161831.7276 -109668.0678 297.5171 -201.9853 -167.7713 762154.2757 -11.0320 -10.9316 PRESSURE: 4931000 282.077 235.092 -46.383 235.092 -1.82177 -93.601 -46.3814 -93.6007 842.327 GPRESSURE: 4931000 274.396 186.114 -13.503 188.452 168.987 -79.7822 -35.6813 52.1606 749.449 PRESSAVG: 4931000 0.79222 13.7662 -9.47606 13.7661 9.80996 24.5781 -9.47604 24.5781 -1.14609 GPRESSAVG: 4931000 1.19994 15.8629 -12.8069 10.3873 8.92682 25.5112 -7.57376 27.3407 -1.05574 TIMING: 4931000 CPU: 15596.6, 0.00318534/step Wall: 15596.6, 0.00318534/step, 0.0610523 hours remaining, 236.859375 MB of memory in use. ENERGY: 4931000 3899.3378 20384.0505 14470.7994 249.2278 -203990.7022 2823.8696 0.0000 0.0000 52025.4539 -110137.9632 298.9910 -162163.4172 -109778.5883 298.0492 374.1942 397.6108 758224.4111 3.1520 3.0237 PRESSURE: 4931200 87.5342 -45.2767 245.92 -45.2783 19.123 58.915 245.92 58.9152 304.439 GPRESSURE: 4931200 124.424 -21.5572 151.014 -175.607 108.145 111.921 192.449 17.7911 274.173 PRESSAVG: 4931200 -43.9256 23.3156 8.18038 23.3156 11.5592 75.6962 8.1803 75.6961 26.8023 GPRESSAVG: 4931200 -43.891 21.6135 9.06271 23.325 11.8176 75.7569 9.02857 73.4443 26.5427 TIMING: 4931200 CPU: 15597.2, 0.00318732/step Wall: 15597.2, 0.00318732/step, 0.0609132 hours remaining, 236.859375 MB of memory in use. ENERGY: 4931200 3933.5035 20438.3268 14440.1082 256.9231 -203722.5171 2894.8332 0.0000 0.0000 51621.6562 -110137.1661 296.6704 -161758.8224 -109796.4556 297.4545 137.0319 168.9141 761539.9555 -1.8547 -1.8436 PRESSURE: 4931400 41.6204 -0.704908 -77.1352 -0.704588 96.6962 -35.2657 -77.1355 -35.2656 203.628 GPRESSURE: 4931400 125.079 20.8945 -8.49105 39.7982 32.8014 35.185 -90.1421 -40.8076 268.389 PRESSAVG: 4931400 -18.1824 19.5072 -29.0051 19.5072 54.4482 51.9742 -29.0052 51.9743 -16.0472 GPRESSAVG: 4931400 -19.2763 21.3357 -29.6751 21.2952 54.6644 49.8477 -29.9137 52.3354 -15.2248 TIMING: 4931400 CPU: 15597.8, 0.00316813/step Wall: 15597.8, 0.00316813/step, 0.0603705 hours remaining, 236.859375 MB of memory in use. ENERGY: 4931400 4034.5854 20442.3397 14551.2145 251.6386 -203467.5656 2585.7419 0.0000 0.0000 51848.1078 -109753.9377 297.9718 -161602.0455 -109395.4421 298.2837 113.9816 142.0896 759436.0218 6.7395 6.7211 PRESSURE: 4931600 192.248 199.017 1.34014 199.018 -95.2915 170.78 1.33953 170.78 252.61 GPRESSURE: 4931600 240.359 240.247 -77.172 211.494 -36.3483 214.96 5.99175 73.5369 243.399 PRESSAVG: 4931600 -35.0881 51.5905 -50.754 51.5904 16.6431 38.8826 -50.754 38.8826 -28.0872 GPRESSAVG: 4931600 -34.2694 51.4697 -50.3482 49.9884 17.0073 40.2817 -51.0498 37.7354 -29.925 TIMING: 4931600 CPU: 15598.5, 0.0031669/step Wall: 15598.5, 0.0031669/step, 0.0601711 hours remaining, 236.859375 MB of memory in use. ENERGY: 4931600 3939.2906 20385.7720 14606.9422 254.0098 -203873.5105 2811.9865 0.0000 0.0000 52065.2518 -109810.2576 299.2197 -161875.5093 -109444.8767 298.4386 116.5220 149.1366 757984.0312 -15.5107 -15.7290 PRESSURE: 4931800 -87.7486 83.173 83.121 83.1727 28.1365 -18.1422 83.1212 -18.1424 49.3113 GPRESSURE: 4931800 -84.9425 9.07528 27.3112 184.165 79.797 113.194 7.74008 -142.327 86.6062 PRESSAVG: 4931800 -16.126 39.3263 -4.00417 39.3263 45.1515 31.4362 -4.0042 31.4364 0.563078 GPRESSAVG: 4931800 -16.4402 37.8934 -4.79456 42.3948 44.1978 31.757 -5.4003 32.1853 1.55159 TIMING: 4931800 CPU: 15599.1, 0.00317261/step Wall: 15599.1, 0.00317261/step, 0.0601034 hours remaining, 236.859375 MB of memory in use. ENERGY: 4931800 3913.5534 20415.2268 14464.1434 241.0778 -203375.5220 2569.1573 0.0000 0.0000 52180.0801 -109592.2832 299.8796 -161772.3632 -109224.9967 298.9252 -3.4336 27.1536 761866.6373 9.8628 9.7697 PRESSURE: 4932000 184.651 120.149 77.2907 120.149 -130.109 9.73979 77.2897 9.7398 129.156 GPRESSURE: 4932000 138.381 159.392 70.9479 104.821 76.6404 -34.1569 19.2302 -42.9677 71.4035 PRESSAVG: 4932000 -3.77567 5.02982 -9.77585 5.02986 8.02672 5.06404 -9.77587 5.064 -38.3304 GPRESSAVG: 4932000 -4.25512 5.99576 -7.60452 3.44532 7.93652 2.29184 -8.34809 6.32889 -37.8507 TIMING: 4932000 CPU: 15599.7, 0.00315721/step Wall: 15599.7, 0.00315721/step, 0.0596362 hours remaining, 236.859375 MB of memory 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 3984.3291 20465.7979 14488.3892 238.8636 -203272.8941 2636.2013 0.0000 0.0000 52103.1426 -109356.1703 299.4375 -161459.3129 -108990.0502 299.5250 61.2324 95.4750 762351.3146 -11.3598 -11.3898 PRESSURE: 4932200 47.9044 -229.009 42.7676 -229.008 -20.2044 107.517 42.7683 107.517 448.21 GPRESSURE: 4932200 61.5289 -132.509 92.9356 -250.73 71.0217 164.736 -86.9041 176.058 408.417 PRESSAVG: 4932200 23.8866 -16.3432 38.6118 -16.3432 2.18491 12.11 38.6117 12.1101 29.8338 GPRESSAVG: 4932200 24.0059 -17.6441 38.7452 -15.8812 2.86546 13.7914 38.9068 11.2311 29.4265 TIMING: 4932200 CPU: 15600.4, 0.00318662/step Wall: 15600.4, 0.00318662/step, 0.0600147 hours remaining, 236.859375 MB of memory in use. ENERGY: 4932200 4012.4889 20466.0043 14525.2505 255.7022 -203552.6424 2840.0751 0.0000 0.0000 52146.4859 -109306.6354 299.6866 -161453.1213 -108949.0279 299.6618 158.6365 180.3226 761118.5844 18.6351 18.7660 LDB: ============= START OF LOAD BALANCING ============== 15612.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15612.9 LDB: =============== DONE WITH MIGRATION ================ 15612.9 LDB: ============= START OF LOAD BALANCING ============== 15613.2 LDB: Largest compute 7077 load 0.036231 is 18.5% of average load 0.195502 LDB: Average compute 0.004394 is 2.2% of average load 0.195502 LDB: TIME 15613.2 LOAD: AVG 0.195502 MAX 0.213851 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.922 MB LDB: TIME 15613.2 LOAD: AVG 0.195502 MAX 0.213851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.926 MB LDB: TIME 15613.2 LOAD: AVG 0.195502 MAX 0.213851 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.926 MB LDB: ============== END OF LOAD BALANCING =============== 15613.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15613.2 PRESSURE: 4932400 157.351 -51.7954 -239.634 -51.7956 147.92 -72.4889 -239.634 -72.4895 198.234 GPRESSURE: 4932400 87.0573 -16.9191 -215.117 24.3901 336.788 -115.077 -176.581 -13.2348 168.302 PRESSAVG: 4932400 -44.1624 0.143654 33.6793 0.14366 27.4996 -0.655754 33.6793 -0.655664 15.4818 GPRESSAVG: 4932400 -45.1044 0.110548 34.3975 0.478021 27.9871 -2.0387 32.3134 0.347461 16.0055 TIMING: 4932400 CPU: 15601, 0.00325714/step Wall: 15601, 0.00325714/step, 0.0611619 hours remaining, 236.164062 MB of memory in use. ENERGY: 4932400 3939.5103 20537.1261 14406.2754 247.8859 -203306.1696 2698.3513 0.0000 0.0000 52114.7919 -109362.2287 299.5044 -161477.0206 -109007.7803 299.4461 167.8350 197.3825 760626.3134 -0.3937 -0.3706 PRESSURE: 4932600 -505.487 33.5002 -95.3658 33.5012 -384.577 62.0579 -95.3665 62.0573 77.7363 GPRESSURE: 4932600 -518.17 114.882 -106.185 -56.9036 -261.138 143.722 15.7452 46.3027 72.1512 PRESSAVG: 4932600 12.5298 47.125 -7.6835 47.125 69.0339 19.9646 -7.6835 19.9647 14.482 GPRESSAVG: 4932600 13.1404 47.4233 -9.12031 45.9729 68.446 22.0351 -6.9038 20.7422 14.7095 TIMING: 4932600 CPU: 15601.7, 0.00321966/step Wall: 15601.7, 0.00321966/step, 0.0602792 hours remaining, 236.367188 MB of memory in use. ENERGY: 4932600 4051.1785 20430.6395 14448.9393 266.0226 -203088.3450 2305.3041 0.0000 0.0000 52071.0961 -109515.1649 299.2533 -161586.2610 -109145.2994 298.9397 -270.7757 -235.7189 760325.5875 32.0152 32.0987 PRESSURE: 4932800 71.6666 -101.427 248.629 -101.427 -142.53 144.034 248.63 144.034 -314.809 GPRESSURE: 4932800 129.17 -114.45 239.949 -146.315 -168.098 25.6921 178.809 218.246 -295.52 PRESSAVG: 4932800 -53.3126 -9.74414 -14.8049 -9.74413 36.1493 -17.8456 -14.805 -17.8455 -17.739 GPRESSAVG: 4932800 -53.1242 -10.9259 -13.5407 -8.11803 36.9555 -17.8773 -14.241 -18.6379 -19.3979 TIMING: 4932800 CPU: 15602.3, 0.00317822/step Wall: 15602.3, 0.00317822/step, 0.0593268 hours remaining, 236.367188 MB of memory in use. ENERGY: 4932800 4085.6256 20514.3471 14526.5104 240.4490 -203006.7229 2310.5495 0.0000 0.0000 51992.1202 -109337.1212 298.7994 -161329.2414 -108983.2389 298.8512 -128.5575 -111.4829 763374.6268 -11.6341 -11.8555 PRESSURE: 4933000 -399.608 140.572 -87.9869 140.572 87.1366 19.8222 -87.9866 19.8209 92.2136 GPRESSURE: 4933000 -317.965 99.1319 -78.5463 8.05577 121.835 12.8927 -113.062 33.5163 53.2487 PRESSAVG: 4933000 -28.3568 -50.947 -33.1432 -50.9471 25.1415 41.3889 -33.1432 41.389 4.18641 GPRESSAVG: 4933000 -27.4222 -50.5971 -34.3413 -50.7796 24.209 42.9099 -32.94 38.1089 4.31941 TIMING: 4933000 CPU: 15602.9, 0.00317144/step Wall: 15602.9, 0.00317144/step, 0.059024 hours remaining, 236.367188 MB of memory in use. ENERGY: 4933000 3930.7277 20425.6025 14489.6970 242.2040 -202789.0608 2159.0631 0.0000 0.0000 52137.1281 -109404.6385 299.6328 -161541.7665 -109030.6952 298.6936 -73.4192 -47.6272 760986.4618 0.3237 0.3687 PRESSURE: 4933200 225.326 -122.74 -229.62 -122.74 229.908 24.7291 -229.62 24.7288 244.405 GPRESSURE: 4933200 164.23 -155.447 -226.794 -94.5886 385.357 34.2225 -265.463 174.374 227.035 PRESSAVG: 4933200 -6.68067 -26.7494 -7.49287 -26.7495 49.3605 39.336 -7.49288 39.336 6.45844 GPRESSAVG: 4933200 -7.16558 -25.7762 -7.73424 -29.1889 50.7215 38.7294 -7.63235 42.2915 6.20886 TIMING: 4933200 CPU: 15603.6, 0.00318753/step Wall: 15603.6, 0.00318753/step, 0.0591464 hours remaining, 236.367188 MB of memory in use. ENERGY: 4933200 3946.4999 20607.9675 14509.6640 253.2882 -203676.3328 2786.0181 0.0000 0.0000 52177.7753 -109395.1197 299.8664 -161572.8950 -109036.4703 299.2576 233.2130 258.8740 760846.3038 16.3794 16.5883 PRESSURE: 4933400 23.749 34.3165 31.2057 34.3169 -48.6856 -70.8782 31.2063 -70.879 -161.137 GPRESSURE: 4933400 87.462 62.3723 86.1141 -1.37846 -10.6893 -119.479 150.657 -166.805 -146.336 PRESSAVG: 4933400 -22.8061 -59.1048 48.3917 -59.1048 -0.996712 23.9331 48.3917 23.933 -22.7981 GPRESSAVG: 4933400 -22.0439 -58.625 49.5616 -57.4733 -1.58124 22.6221 48.0899 26.2843 -23.0144 TIMING: 4933400 CPU: 15604.2, 0.00318083/step Wall: 15604.2, 0.00318083/step, 0.0588453 hours remaining, 236.367188 MB of memory in use. ENERGY: 4933400 3963.3389 20277.9393 14498.8526 233.7124 -203320.7669 2619.2683 0.0000 0.0000 52014.4327 -109713.2227 298.9277 -161727.6554 -109344.7669 299.2887 -62.0244 -23.1877 761464.6644 -15.5337 -15.5465 PRESSURE: 4933600 -231.678 113.768 -104.397 113.768 -329.118 89.3549 -104.397 89.3555 -2.49394 GPRESSURE: 4933600 -198.077 178.07 -90.7247 78.0859 -259.03 18.6302 14.5998 171.745 -11.1187 PRESSAVG: 4933600 101.65 4.87992 -3.70776 4.87992 -105.354 -49.5488 -3.70769 -49.5488 8.97942 GPRESSAVG: 4933600 101.477 5.21376 -3.32911 4.05846 -105.345 -49.213 -4.26191 -50.4473 9.26653 TIMING: 4933600 CPU: 15604.9, 0.00319488/step Wall: 15604.9, 0.00319488/step, 0.0589278 hours remaining, 236.367188 MB of memory in use. ENERGY: 4933600 4006.2109 20549.7991 14535.5200 255.2353 -203141.6329 2384.4770 0.0000 0.0000 52061.6673 -109348.7233 299.1991 -161410.3906 -109000.9371 298.8939 -187.7633 -156.0753 761566.1611 1.7584 1.7992 PRESSURE: 4933800 -138.183 -19.1231 -196.501 -19.1228 169.11 163.43 -196.502 163.429 -456.757 GPRESSURE: 4933800 -96.0899 -56.6143 -214.563 43.0729 181.583 117.49 -233.965 130.599 -423.198 PRESSAVG: 4933800 12.4321 12.2016 -9.63079 12.2016 -18.9201 21.2212 -9.63077 21.2212 -26.5391 GPRESSAVG: 4933800 10.9603 10.1005 -9.26703 14.3961 -18.8675 22.0567 -10.9404 19.2166 -25.6469 TIMING: 4933800 CPU: 15605.5, 0.00319783/step Wall: 15605.5, 0.00319783/step, 0.0588046 hours remaining, 236.367188 MB of memory in use. ENERGY: 4933800 3936.7908 20389.5876 14517.3642 256.3550 -202839.8997 2296.8534 0.0000 0.0000 52000.4096 -109442.5390 298.8471 -161442.9486 -109076.0824 299.3987 -141.9436 -112.5682 760877.1144 -11.0090 -11.1847 PRESSURE: 4934000 -224.863 38.5198 100.928 38.5193 -124.815 9.5807 100.928 9.57996 196.799 GPRESSURE: 4934000 -133.723 -61.3921 173.931 -144.381 -102.173 6.7532 103.357 -40.1254 182.368 PRESSAVG: 4934000 -11.1385 -62.5204 -14.4275 -62.5204 31.447 38.3694 -14.4275 38.3694 0.534293 GPRESSAVG: 4934000 -11.2348 -62.5445 -15.7071 -64.6719 31.407 39.199 -14.4226 38.156 0.43835 TIMING: 4934000 CPU: 15606.1, 0.0031991/step Wall: 15606.1, 0.0031991/step, 0.0586502 hours remaining, 236.367188 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: 4934000 3958.0389 20524.5562 14514.1881 260.9811 -203332.5118 2444.8270 0.0000 0.0000 52328.3782 -109301.5422 300.7319 -161629.9204 -108943.2443 299.3020 -50.9597 -17.8425 762094.3941 6.9476 6.8702 PRESSURE: 4934200 141.73 277.422 101.097 277.422 154.875 -83.9782 101.097 -83.9788 -84.3401 GPRESSURE: 4934200 154.135 314.764 64.5477 303.773 164.308 -101.48 195.092 -29.985 -31.5865 PRESSAVG: 4934200 -11.6059 -10.5949 48.9576 -10.5949 12.5615 3.95398 48.9576 3.95409 9.99415 GPRESSAVG: 4934200 -12.614 -11.5466 49.4171 -10.5177 13.72 4.0771 50.4113 4.1033 9.88989 TIMING: 4934200 CPU: 15606.8, 0.00319079/step Wall: 15606.8, 0.00319079/step, 0.0583206 hours remaining, 236.367188 MB of memory in use. ENERGY: 4934200 4073.2398 20693.4496 14462.2269 264.6655 -203156.5634 2606.4044 0.0000 0.0000 51940.6282 -109115.9489 298.5035 -161056.5771 -108767.2141 299.5573 70.7550 95.6186 761882.0063 3.6499 3.6653 PRESSURE: 4934400 -119.562 -167.647 -139.197 -167.649 -102.702 75.4803 -139.198 75.48 -19.3405 GPRESSURE: 4934400 -178.164 -79.1924 -121.858 -104.136 -4.80631 88.76 -125.636 215.499 -0.664824 PRESSAVG: 4934400 9.49116 -16.0193 9.56114 -16.0193 33.107 -21.151 9.56113 -21.151 -2.3304 GPRESSAVG: 4934400 10.0058 -14.3271 8.53335 -15.5641 33.3012 -22.1906 9.61285 -20.5591 -2.83017 TIMING: 4934400 CPU: 15607.4, 0.00319917/step Wall: 15607.4, 0.00319917/step, 0.058296 hours remaining, 236.367188 MB of memory in use. ENERGY: 4934400 3973.8373 20380.4652 14497.4438 237.9927 -203361.2048 2461.7204 0.0000 0.0000 52518.6901 -109291.0553 301.8256 -161809.7454 -108922.3308 299.6708 -80.5346 -61.2118 762752.8724 13.4226 13.4923 PRESSURE: 4934600 196.574 303.176 244.432 303.176 295.53 -41.5676 244.432 -41.5677 250.258 GPRESSURE: 4934600 244.73 307.404 185.909 250.944 350.48 -116.512 259.714 -1.68572 236.206 PRESSAVG: 4934600 -25.5292 -5.39219 -28.7171 -5.3922 57.1818 -51.0891 -28.7171 -51.089 6.74915 GPRESSAVG: 4934600 -24.6353 -7.29143 -26.4774 -6.05355 56.5341 -50.5905 -29.5344 -52.1685 6.41589 TIMING: 4934600 CPU: 15608.1, 0.00319829/step Wall: 15608.1, 0.00319829/step, 0.0581022 hours remaining, 236.367188 MB of memory in use. ENERGY: 4934600 3998.7643 20406.2261 14543.3261 249.6647 -203517.5199 2930.0174 0.0000 0.0000 52103.1634 -109286.3579 299.4376 -161389.5213 -108933.8150 299.6365 247.4542 277.1387 763227.0471 12.8006 12.7716 PRESSURE: 4934800 -30.9747 39.4947 137.561 39.4945 -576.287 -51.5532 137.562 -51.5527 -100.552 GPRESSURE: 4934800 -24.039 -93.7035 137.846 96.8449 -552.117 -3.06422 48.4649 -82.3978 -51.8208 PRESSAVG: 4934800 22.7048 -7.37992 -17.5539 -7.37994 -23.033 3.1496 -17.5539 3.14955 -30.2879 GPRESSAVG: 4934800 22.3801 -6.79634 -20.3733 -5.27179 -24.105 3.01306 -18.646 3.92283 -28.9569 TIMING: 4934800 CPU: 15608.7, 0.00320607/step Wall: 15608.7, 0.00320607/step, 0.0580655 hours remaining, 236.367188 MB of memory in use. ENERGY: 4934800 4039.4491 20459.8081 14487.6240 244.8518 -203124.8830 2372.4083 0.0000 0.0000 52043.2404 -109477.5013 299.0932 -161520.7417 -109120.4712 299.2302 -235.9382 -209.3257 761509.3778 -10.2054 -10.2273 PRESSURE: 4935000 3.27832 62.3013 -25.7214 62.3011 129.997 -44.8001 -25.7214 -44.8003 -330.619 GPRESSURE: 4935000 53.9148 75.3335 -42.9967 26.8854 79.7435 28.8781 38.3402 -180.271 -233.093 PRESSAVG: 4935000 -7.36545 48.8258 30.7425 48.8258 32.3992 17.6655 30.7426 17.6654 -0.161983 GPRESSAVG: 4935000 -8.09206 50.4743 32.1015 46.8532 31.9458 17.2669 32.4666 19.5621 0.545694 TIMING: 4935000 CPU: 15609.3, 0.00318246/step Wall: 15609.3, 0.00318246/step, 0.0574611 hours remaining, 236.367188 MB of memory in use. ENERGY: 4935000 3984.3649 20316.1120 14452.6075 240.4605 -203012.1761 2544.9165 0.0000 0.0000 51913.1536 -109560.5611 298.3456 -161473.7147 -109205.6508 299.2235 -65.7815 -33.1450 761084.9860 8.2906 8.1331 PRESSURE: 4935200 302.212 -16.6291 -39.855 -16.63 -160.898 -114.485 -39.8551 -114.485 294.219 GPRESSURE: 4935200 319.588 35.196 -1.918 11.0584 -44.1154 -64.6721 -25.566 -272.317 262.15 PRESSAVG: 4935200 48.4107 -13.0516 7.09478 -13.0517 -2.87264 -48.6878 7.09477 -48.6878 12.0697 GPRESSAVG: 4935200 47.5763 -13.1792 7.10916 -14.9482 -1.26557 -48.0771 6.92352 -52.0234 10.8734 TIMING: 4935200 CPU: 15610, 0.00317945/step Wall: 15610, 0.00317945/step, 0.0572301 hours remaining, 236.367188 MB of memory in use. ENERGY: 4935200 3914.7113 20409.9352 14497.3799 260.1682 -203143.7388 2621.8135 0.0000 0.0000 51815.8897 -109623.8410 297.7866 -161439.7308 -109261.4404 298.7985 145.1779 179.2073 762572.3189 19.2026 19.0614 PRESSURE: 4935400 208.907 -64.6649 134.214 -64.6656 207.964 -61.5929 134.214 -61.5924 378.099 GPRESSURE: 4935400 277.968 -47.7587 118.315 -39.1508 207.534 -28.2491 75.3771 -34.1111 372.399 PRESSAVG: 4935400 52.0144 19.3197 -10.5619 19.3197 -81.5204 -48.172 -10.5619 -48.172 -9.68501 GPRESSAVG: 4935400 53.0242 19.6339 -10.695 19.2759 -83.197 -48.6744 -11.4657 -48.0639 -8.73469 TIMING: 4935400 CPU: 15610.6, 0.00318857/step Wall: 15610.6, 0.00318857/step, 0.0572171 hours remaining, 236.367188 MB of memory in use. ENERGY: 4935400 3938.2398 20496.8979 14503.8309 244.6853 -203186.3175 2581.9629 0.0000 0.0000 51652.7653 -109767.9353 296.8492 -161420.7006 -109398.7617 297.9363 264.9898 285.9671 761003.5061 -13.0637 -12.9692 PRESSURE: 4935600 -151.498 -279.431 281.851 -279.432 28.9369 -114.75 281.851 -114.75 177.968 GPRESSURE: 4935600 -179.652 -203.146 277.784 -271.142 91.1113 -118.948 343.676 -129.753 222.645 PRESSAVG: 4935600 3.23641 -4.42202 28.2044 -4.42206 -15.2193 -54.1613 28.2044 -54.1614 7.46626 GPRESSAVG: 4935600 2.95996 -3.88205 27.0156 -2.19074 -14.2673 -54.8183 28.9323 -52.1081 7.10377 TIMING: 4935600 CPU: 15611.2, 0.00316185/step Wall: 15611.2, 0.00316185/step, 0.0565621 hours remaining, 236.367188 MB of memory in use. ENERGY: 4935600 3934.4913 20426.0111 14516.2350 254.8100 -202966.4817 2112.0866 0.0000 0.0000 51859.1178 -109863.7299 298.0351 -161722.8477 -109492.2664 298.2380 18.4691 44.7016 761697.9048 -1.5055 -1.4012 PRESSURE: 4935800 -119.368 -26.354 25.2743 -26.3537 -180.366 81.8364 25.2745 81.8358 -167.624 GPRESSURE: 4935800 -43.104 36.2231 34.9803 -61.3002 -206.136 135.229 35.4045 47.9697 -130.937 PRESSAVG: 4935800 -6.96506 -7.81835 8.47755 -7.81828 16.8893 -14.1325 8.47753 -14.1325 -34.0361 GPRESSAVG: 4935800 -6.28794 -7.94424 10.341 -7.82032 16.9782 -14.4944 8.25825 -16.0456 -34.5872 TIMING: 4935800 CPU: 15611.9, 0.00314952/step Wall: 15611.9, 0.00314952/step, 0.0561665 hours remaining, 236.367188 MB of memory in use. ENERGY: 4935800 3991.9337 20461.5164 14520.3043 247.4687 -203297.4979 2393.3568 0.0000 0.0000 51927.6209 -109755.2970 298.4288 -161682.9180 -109397.8149 298.1061 -155.7859 -126.7256 759722.1933 -8.0373 -7.9656 PRESSURE: 4936000 -222.026 14.9136 184.291 14.9146 240.395 -86.4043 184.29 -86.4042 -250.941 GPRESSURE: 4936000 -203.376 -40.4577 217.45 39.4575 239.778 -22.6345 64.9779 -85.9469 -173.654 PRESSAVG: 4936000 -50.458 -10.4221 -21.1261 -10.4222 72.3449 -24.4118 -21.126 -24.4118 -23.4954 GPRESSAVG: 4936000 -50.3236 -10.7022 -21.1499 -9.20336 71.3645 -23.51 -23.0758 -22.7245 -22.807 TIMING: 4936000 CPU: 15612.5, 0.00315586/step Wall: 15612.5, 0.00315586/step, 0.0561042 hours remaining, 236.367188 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: 4936000 4042.9746 20418.5031 14460.6120 261.2097 -203017.8824 2440.2166 0.0000 0.0000 51864.0676 -109530.2989 298.0635 -161394.3665 -109171.6620 298.1446 -77.5241 -45.7506 760826.1267 -0.5362 -0.5887 PRESSURE: 4936200 -44.4712 71.5453 167.211 71.5451 -228.402 -114.277 167.211 -114.277 -5.35685 GPRESSURE: 4936200 -52.5112 46.459 117.267 41.7418 -117.877 -73.6707 130.459 -163.963 -29.5238 PRESSAVG: 4936200 7.66782 -25.4414 61.486 -25.4414 -30.5916 -43.1168 61.4858 -43.1168 3.09152 GPRESSAVG: 4936200 8.38048 -28.0321 60.8048 -27.1713 -31.0058 -41.2998 64.7755 -44.8087 2.45452 TIMING: 4936200 CPU: 15613.1, 0.0031673/step Wall: 15613.1, 0.0031673/step, 0.0561315 hours remaining, 236.367188 MB of memory in use. ENERGY: 4936200 3906.5088 20428.7193 14560.1138 253.6179 -203345.5942 2650.7376 0.0000 0.0000 52115.0783 -109430.8185 299.5061 -161545.8968 -109068.3451 298.7660 -92.7432 -66.6373 761670.6895 -6.6107 -6.7236 LDB: ============= START OF LOAD BALANCING ============== 15625.7 LDB: ============== END OF LOAD BALANCING =============== 15625.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15625.7 LDB: ============= START OF LOAD BALANCING ============== 15626 LDB: Largest compute 7060 load 0.034592 is 17.7% of average load 0.195541 LDB: Average compute 0.004369 is 2.2% of average load 0.195541 LDB: TIME 15626 LOAD: AVG 0.195541 MAX 0.220312 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.691 MB LDB: TIME 15626 LOAD: AVG 0.195541 MAX 0.220312 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: TIME 15626 LOAD: AVG 0.195541 MAX 0.213 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.762 MB LDB: ============== END OF LOAD BALANCING =============== 15626 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15626 PRESSURE: 4936400 -132.721 -127.605 85.2595 -127.605 -222.381 -112.6 85.2588 -112.6 289.538 GPRESSURE: 4936400 -84.1176 -198.422 82.6879 15.8275 -211.151 -120.027 209.156 59.7303 324.189 PRESSAVG: 4936400 -13.6668 16.1391 37.3516 16.1391 -11.4489 -1.86956 37.3516 -1.86956 -2.76432 GPRESSAVG: 4936400 -14.8608 16.6942 36.0787 18.1009 -10.2241 -3.04294 36.2561 1.29438 -2.52694 TIMING: 4936400 CPU: 15613.8, 0.00323939/step Wall: 15613.8, 0.00323938/step, 0.0572291 hours remaining, 236.019531 MB of memory in use. ENERGY: 4936400 4009.4245 20495.4164 14509.4891 257.1928 -203304.1842 2602.2305 0.0000 0.0000 52078.6252 -109351.8056 299.2966 -161430.4309 -108988.9274 299.2256 -21.8544 9.6402 761018.8374 -9.2934 -9.2039 PRESSURE: 4936600 -270.909 -104.46 -93.6118 -104.46 -14.0555 -138.362 -93.6117 -138.361 -225.14 GPRESSURE: 4936600 -296.358 -14.0183 -3.18192 -106.604 41.1027 -142.954 -272.914 -20.7281 -181.904 PRESSAVG: 4936600 15.434 -22.8187 -38.8573 -22.8188 7.6249 -13.1903 -38.8572 -13.1903 -18.293 GPRESSAVG: 4936600 16.5157 -21.6398 -38.5238 -23.744 6.5233 -15.0998 -39.7112 -13.7775 -18.0143 TIMING: 4936600 CPU: 15614.4, 0.00316783/step Wall: 15614.4, 0.00316783/step, 0.055789 hours remaining, 236.261719 MB of memory in use. ENERGY: 4936600 3959.7814 20609.2379 14454.2126 277.6798 -203506.2786 2659.0239 0.0000 0.0000 52002.4601 -109543.8830 298.8589 -161546.3431 -109180.1653 299.0837 -170.0348 -145.7196 763014.3700 1.5886 1.6749 PRESSURE: 4936800 -52.8141 51.5813 228.371 51.5802 -513.025 -85.0681 228.372 -85.0686 -248.34 GPRESSURE: 4936800 -99.9725 108.615 188.498 134.75 -424.985 -130.884 273.426 -151.273 -223.932 PRESSAVG: 4936800 10.8112 20.0473 33.6948 20.0473 -12.6315 30.0487 33.6947 30.0487 16.2147 GPRESSAVG: 4936800 10.1567 21.8106 32.4156 20.3378 -12.721 30.1247 34.9296 29.0027 16.4815 TIMING: 4936800 CPU: 15615, 0.00316156/step Wall: 15615, 0.00316156/step, 0.055503 hours remaining, 236.261719 MB of memory in use. ENERGY: 4936800 4048.5192 20582.2266 14514.7955 265.3997 -203383.9250 2518.5036 0.0000 0.0000 51951.6354 -109502.8450 298.5668 -161454.4804 -109140.7166 299.0343 -271.3932 -249.6297 761884.6030 4.7982 4.6390 PRESSURE: 4937000 -221.406 259.434 -30.5956 259.434 124.696 -259.606 -30.5959 -259.607 33.5557 GPRESSURE: 4937000 -189.248 101.631 -4.27885 262.646 154.822 -259.43 19.8789 -330.678 58.6385 PRESSAVG: 4937000 11.4424 59.6783 -24.4906 59.6783 -32.2395 -44.428 -24.4905 -44.4279 -14.0411 GPRESSAVG: 4937000 11.2037 58.2611 -23.0951 56.736 -32.7285 -42.3308 -23.2414 -45.1946 -14.0614 TIMING: 4937000 CPU: 15615.7, 0.00317801/step Wall: 15615.7, 0.00317801/step, 0.0556151 hours remaining, 236.261719 MB of memory in use. ENERGY: 4937000 3946.1534 20520.6748 14490.1210 249.0286 -203611.1253 2895.8237 0.0000 0.0000 52081.7263 -109427.5975 299.3144 -161509.3238 -109057.9141 299.2657 -21.0514 8.0707 762363.5780 -11.6127 -11.8621 PRESSURE: 4937200 -55.3676 61.5438 5.01082 61.5434 -56.2664 156.968 5.01104 156.968 231.753 GPRESSURE: 4937200 -60.878 11.3535 110.537 166.41 31.1831 117.993 88.8853 269.234 238.492 PRESSAVG: 4937200 -15.3014 12.6495 -12.9071 12.6495 -3.19278 -86.8158 -12.9072 -86.8157 17.1467 GPRESSAVG: 4937200 -15.9285 14.0098 -11.8172 13.1181 -1.63787 -86.4823 -15.0174 -85.553 15.947 TIMING: 4937200 CPU: 15616.3, 0.00320108/step Wall: 15616.3, 0.00320108/step, 0.055841 hours remaining, 236.261719 MB of memory in use. ENERGY: 4937200 4046.5178 20381.3684 14526.5269 240.5089 -203225.5482 2750.7852 0.0000 0.0000 51882.2320 -109397.6091 298.1679 -161279.8411 -109033.1918 298.6706 40.0396 69.5990 763061.4681 -0.4491 -0.5398 PRESSURE: 4937400 -492.384 -71.954 169.497 -71.9534 98.5783 383.3 169.497 383.3 18.0123 GPRESSURE: 4937400 -402.66 61.6243 167.311 -3.76851 65.7172 366.983 142.824 279.625 50.0984 PRESSAVG: 4937400 -31.0189 6.1956 -43.1003 6.19559 4.02351 -17.5779 -43.1003 -17.5779 11.9694 GPRESSAVG: 4937400 -31.4168 4.87015 -43.1323 9.73476 3.20662 -17.7033 -41.6404 -17.2739 13.5699 TIMING: 4937400 CPU: 15617, 0.00316302/step Wall: 15617, 0.00316302/step, 0.0550013 hours remaining, 236.261719 MB of memory in use. ENERGY: 4937400 3949.6778 20493.2072 14506.9836 242.3355 -203174.0607 2673.1966 0.0000 0.0000 52197.6747 -109110.9853 299.9808 -161308.6599 -108753.0517 298.9510 -125.2643 -95.6147 761206.0134 -5.0087 -4.8801 PRESSURE: 4937600 82.8732 -11.3532 139.08 -11.3535 18.2479 -31.8004 139.079 -31.8005 142.942 GPRESSURE: 4937600 96.6336 -30.1493 150.916 -39.0843 139.735 17.8476 80.3624 -156.35 108.792 PRESSAVG: 4937600 15.2422 23.4189 -15.6928 23.4188 9.18942 -33.841 -15.6929 -33.841 12.644 GPRESSAVG: 4937600 15.7354 23.9654 -18.512 21.0404 9.02939 -34.8103 -15.4458 -35.8192 11.4787 TIMING: 4937600 CPU: 15617.6, 0.00315711/step Wall: 15617.6, 0.00315711/step, 0.0547232 hours remaining, 236.328125 MB of memory in use. ENERGY: 4937600 4082.6634 20594.7484 14518.2673 238.4250 -203246.7994 2570.5459 0.0000 0.0000 52052.1154 -109190.0339 299.1442 -161242.1493 -108826.9245 299.7990 81.3544 115.0534 760825.5594 12.3585 12.0811 PRESSURE: 4937800 65.8364 359.352 -18.3259 359.353 19.3884 -95.283 -18.3263 -95.2825 136.103 GPRESSURE: 4937800 114.69 293.509 65.6243 243.953 -40.8227 -79.9025 -0.44138 -41.2767 239.464 PRESSAVG: 4937800 -6.76669 15.5553 3.06163 15.5553 -6.79785 -16.6282 3.06161 -16.6283 1.54293 GPRESSAVG: 4937800 -6.3485 14.3595 4.21131 16.1349 -6.77082 -17.2847 2.31972 -15.7112 1.13576 TIMING: 4937800 CPU: 15618.2, 0.00317356/step Wall: 15618.2, 0.00317356/step, 0.0548321 hours remaining, 236.328125 MB of memory in use. ENERGY: 4937800 3936.6499 20414.0873 14545.9141 255.7980 -203231.6325 2811.4299 0.0000 0.0000 52238.5189 -109029.2343 300.2155 -161267.7532 -108668.7770 299.1676 73.7760 104.4436 761740.7783 -4.0072 -3.9945 PRESSURE: 4938000 25.704 -207.166 17.3061 -207.166 -285.906 -93.2002 17.3065 -93.1995 -469.216 GPRESSURE: 4938000 -1.67975 -167.687 21.3881 -64.3085 -266.883 -173.786 -67.3723 -102.885 -370.168 PRESSAVG: 4938000 -30.6922 -22.1057 -39.9782 -22.1056 10.7329 15.4813 -39.9782 15.4814 -6.6582 GPRESSAVG: 4938000 -32.649 -21.3506 -39.086 -21.3784 11.9586 13.8786 -40.9239 16.3658 -6.54459 TIMING: 4938000 CPU: 15618.9, 0.00316887/step Wall: 15618.9, 0.00316887/step, 0.0545749 hours remaining, 236.328125 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: 4938000 4102.9546 20476.3896 14533.7637 245.1408 -203587.0711 2873.5783 0.0000 0.0000 52092.0062 -109263.2380 299.3735 -161355.2441 -108908.2896 299.4531 -243.1394 -212.9102 762784.1787 -8.8725 -9.0783 PRESSURE: 4938200 103.043 16.6063 -58.4453 16.6056 42.7147 -42.9493 -58.4448 -42.9483 -187.063 GPRESSURE: 4938200 97.4303 11.0808 -67.0902 75.4185 137.109 -80.3888 9.13871 -49.8422 -200.866 PRESSAVG: 4938200 -18.0547 -23.7363 -19.3466 -23.7363 -24.3628 0.667039 -19.3466 0.666934 10.4185 GPRESSAVG: 4938200 -16.7401 -23.7238 -18.9616 -24.3085 -27.5409 3.36008 -17.5467 -0.679178 11.7122 TIMING: 4938200 CPU: 15619.5, 0.00315913/step Wall: 15619.5, 0.00315913/step, 0.0542318 hours remaining, 236.328125 MB of memory in use. ENERGY: 4938200 3920.6081 20503.1412 14557.9300 222.0756 -203095.8902 2758.5889 0.0000 0.0000 51916.2309 -109217.3154 298.3633 -161133.5463 -108840.3162 299.4344 -13.7684 11.2245 762628.2335 -10.6664 -10.8563 PRESSURE: 4938400 -159.135 116.408 -114.148 116.409 -192.993 3.55472 -114.149 3.55372 346.951 GPRESSURE: 4938400 -102.787 7.508 -67.4924 74.7128 -167.431 65.6609 -190.942 -1.18987 357.321 PRESSAVG: 4938400 -34.049 -28.8993 -38.6072 -28.8993 -13.201 29.4959 -38.6072 29.4959 -20.323 GPRESSAVG: 4938400 -33.6729 -28.9333 -38.6193 -28.9072 -12.2493 27.7165 -40.4552 29.0179 -21.3666 TIMING: 4938400 CPU: 15620.1, 0.00314864/step Wall: 15620.1, 0.00314864/step, 0.0538768 hours remaining, 236.328125 MB of memory in use. ENERGY: 4938400 4003.5806 20374.6830 14539.8333 244.9356 -203094.4038 2664.7081 0.0000 0.0000 52020.9400 -109245.7232 298.9651 -161266.6632 -108885.8012 298.6989 -1.7254 29.0343 763622.8294 -22.5243 -22.4296 PRESSURE: 4938600 214.397 -97.1746 -123.175 -97.1742 114.036 83.1134 -123.175 83.1143 -10.6931 GPRESSURE: 4938600 214.377 0.690471 -5.10109 -126.027 104.251 40.2174 -157.406 217.041 73.7747 PRESSAVG: 4938600 -19.7634 -58.4878 -19.1857 -58.4877 3.3857 -71.4234 -19.1857 -71.4234 0.864066 GPRESSAVG: 4938600 -20.901 -56.0621 -19.5422 -58.6519 4.57624 -70.4756 -18.9351 -69.9034 0.773236 TIMING: 4938600 CPU: 15620.7, 0.00315578/step Wall: 15620.7, 0.00315578/step, 0.0538235 hours remaining, 236.328125 MB of memory in use. ENERGY: 4938600 3939.0295 20661.5030 14483.5504 241.8165 -203276.6537 2656.9255 0.0000 0.0000 51934.8954 -109358.9333 298.4706 -161293.8287 -108994.1264 298.7742 105.9134 130.8008 764138.0285 -5.1712 -5.1838 PRESSURE: 4938800 -151.161 -74.1285 105.897 -74.1279 -109.454 121.97 105.897 121.97 16.0051 GPRESSURE: 4938800 -160.227 -49.6511 71.7267 34.7575 22.5422 66.2935 278.516 163.962 -11.7962 PRESSAVG: 4938800 40.0863 -41.5601 27.407 -41.5602 5.67164 -20.5879 27.407 -20.5878 1.484 GPRESSAVG: 4938800 39.82 -44.5874 28.1853 -40.8894 5.16151 -19.948 28.722 -20.9717 2.37103 TIMING: 4938800 CPU: 15621.4, 0.00314503/step Wall: 15621.4, 0.00314503/step, 0.0534655 hours remaining, 236.328125 MB of memory in use. ENERGY: 4938800 4093.3430 20475.0610 14448.0211 248.2285 -203395.9799 2825.4792 0.0000 0.0000 51921.4239 -109384.4231 298.3931 -161305.8471 -109022.8584 299.1927 -81.5367 -49.8270 761607.9895 15.7473 15.7842 PRESSURE: 4939000 -617.838 -174.053 48.3002 -174.053 -64.538 29.2533 48.3002 29.2531 -190.18 GPRESSURE: 4939000 -546.806 -143.451 76.2123 -140.688 -121.17 -46.9791 -138.703 -21.6173 -120.396 PRESSAVG: 4939000 -24.8636 -5.51225 -14.7285 -5.51226 7.79366 -80.5591 -14.7285 -80.5592 10.6374 GPRESSAVG: 4939000 -23.6695 -4.25669 -14.3299 -4.92603 9.0991 -80.7527 -16.0096 -81.2546 8.75429 TIMING: 4939000 CPU: 15622, 0.00314247/step Wall: 15622, 0.00314247/step, 0.0532475 hours remaining, 236.328125 MB of memory in use. ENERGY: 4939000 4036.8909 20689.4462 14449.0324 258.8468 -203191.1605 2569.9832 0.0000 0.0000 51855.8584 -109331.1027 298.0163 -161186.9610 -108974.2978 298.7831 -290.8520 -262.7908 764300.8917 -2.1442 -1.9387 PRESSURE: 4939200 59.1594 -151.438 -6.2673 -151.438 595.467 -4.33791 -6.26731 -4.33792 22.7068 GPRESSURE: 4939200 101.797 -73.6967 61.1328 -95.8584 672.843 30.9052 29.8174 85.4726 -12.5922 PRESSAVG: 4939200 -48.0521 -24.1059 -41.392 -24.1059 41.5506 -39.2331 -41.392 -39.2331 -2.2879 GPRESSAVG: 4939200 -47.549 -22.9899 -43.0354 -26.0108 40.2809 -40.2988 -39.5303 -36.7624 -1.25882 TIMING: 4939200 CPU: 15622.6, 0.00313184/step Wall: 15622.6, 0.00313184/step, 0.0528934 hours remaining, 236.328125 MB of memory in use. ENERGY: 4939200 3974.0639 20435.7625 14543.2126 251.4578 -203901.1005 2975.7865 0.0000 0.0000 52271.2962 -109449.5210 300.4039 -161720.8172 -109081.4859 299.2220 225.7779 254.0158 762728.9823 -2.9298 -2.8423 PRESSURE: 4939400 -66.1446 -112.622 -85.0382 -112.623 101.877 69.2096 -85.0381 69.2097 -199.233 GPRESSURE: 4939400 -18.6333 -101.487 -126.498 -181.052 119.725 28.2606 -84.061 125.226 -176.391 PRESSAVG: 4939400 -28.8967 -33.4066 -12.2863 -33.4066 70.0155 35.0936 -12.2863 35.0936 20.4215 GPRESSAVG: 4939400 -29.5879 -34.0788 -13.2141 -35.5629 70.9476 34.9382 -14.1485 34.7557 20.3278 TIMING: 4939400 CPU: 15623.3, 0.0031382/step Wall: 15623.3, 0.0031382/step, 0.0528264 hours remaining, 236.328125 MB of memory in use. ENERGY: 4939400 3975.0836 20516.6264 14527.9684 255.5259 -203807.5936 2954.7707 0.0000 0.0000 51872.4935 -109705.1252 298.1119 -161577.6187 -109353.1275 298.9802 -54.5003 -25.0996 761951.0439 20.5134 20.5625 PRESSURE: 4939600 -321.085 -174.02 42.9755 -174.021 13.1609 68.99 42.9752 68.9897 -129.927 GPRESSURE: 4939600 -308.111 -125.199 67.1985 -150.643 49.1285 127.542 66.5224 -70.9221 -101.804 PRESSAVG: 4939600 -8.54005 -33.1249 -27.7308 -33.125 37.7949 -2.74929 -27.7307 -2.74928 7.44613 GPRESSAVG: 4939600 -7.72534 -34.957 -26.8686 -29.9352 36.3406 -1.23065 -26.8543 -4.29075 7.34686 TIMING: 4939600 CPU: 15623.9, 0.00315731/step Wall: 15623.9, 0.00315731/step, 0.0529726 hours remaining, 236.328125 MB of memory in use. ENERGY: 4939600 3959.4645 20693.3197 14604.8219 257.4889 -203604.3425 2561.5045 0.0000 0.0000 51994.5999 -109533.1432 298.8137 -161527.7430 -109170.2660 298.3330 -145.9500 -120.2623 762583.5236 12.2337 11.9874 PRESSURE: 4939800 -46.9116 -3.40556 -178.276 -3.40456 308.324 -255.563 -178.276 -255.563 38.0667 GPRESSURE: 4939800 15.8175 63.6738 -158.99 75.0091 287.167 -259.392 -119.656 -314.034 100.079 PRESSAVG: 4939800 -67.4549 -3.87657 48.4556 -3.87658 26.857 -4.44537 48.4557 -4.44539 -10.0364 GPRESSAVG: 4939800 -67.7343 -0.0435675 49.8126 -5.84572 27.7491 -4.43225 47.063 -3.41348 -10.6055 TIMING: 4939800 CPU: 15624.5, 0.00318539/step Wall: 15624.5, 0.00318539/step, 0.0532669 hours remaining, 236.328125 MB of memory in use. ENERGY: 4939800 4002.1953 20643.7809 14503.1793 253.4657 -203301.9994 2632.0955 0.0000 0.0000 51879.5680 -109387.7146 298.1526 -161267.2826 -109039.1441 299.5158 99.8264 134.3546 761701.3489 -16.8781 -16.8636 PRESSURE: 4940000 -344.722 70.2988 -104.905 70.299 -41.1003 -118.557 -104.905 -118.557 -209.79 GPRESSURE: 4940000 -244.705 147.101 -185.455 -25.1649 -156.158 -75.345 -82.1622 -52.0207 -119.44 PRESSAVG: 4940000 -47.0463 11.7704 -34.2244 11.7705 19.0485 -11.5231 -34.2244 -11.5231 -26.2443 GPRESSAVG: 4940000 -45.7384 8.20566 -34.2575 13.8783 17.9522 -13.2315 -35.3441 -11.8229 -25.9018 TIMING: 4940000 CPU: 15625.2, 0.00315864/step Wall: 15625.2, 0.00315864/step, 0.052644 hours remaining, 236.328125 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: 4940000 4037.5811 20784.0434 14482.1971 235.6689 -203218.1738 2378.6695 0.0000 0.0000 52018.1513 -109281.8625 298.9490 -161300.0138 -108914.4465 299.3983 -198.5375 -173.4342 762585.4203 -18.0807 -17.8960 PRESSURE: 4940200 -190.56 17.3922 13.7457 17.392 -203.707 -105.248 13.7463 -105.248 -76.8104 GPRESSURE: 4940200 -188.447 73.8249 64.2253 -94.9864 -196.686 -50.3889 -64.2498 -53.263 -3.1086 PRESSAVG: 4940200 46.3372 -3.32562 19.4091 -3.32566 11.64 22.6465 19.4091 22.6467 -9.42524 GPRESSAVG: 4940200 44.9861 -1.26911 18.7777 -4.28457 11.4922 22.0854 21.4264 26.3393 -8.17641 TIMING: 4940200 CPU: 15625.8, 0.00316421/step Wall: 15625.8, 0.00316421/step, 0.0525611 hours remaining, 236.328125 MB of memory in use. ENERGY: 4940200 3966.5731 20641.7102 14514.8779 255.4822 -203030.7234 2410.8151 0.0000 0.0000 52060.4556 -109180.8093 299.1922 -161241.2649 -108816.4593 299.6523 -157.0257 -129.4141 763999.1586 16.1840 16.1006 LDB: ============= START OF LOAD BALANCING ============== 15638.3 LDB: ============== END OF LOAD BALANCING =============== 15638.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15638.3 LDB: ============= START OF LOAD BALANCING ============== 15638.6 LDB: Largest compute 7026 load 0.036491 is 18.7% of average load 0.195649 LDB: Average compute 0.004377 is 2.2% of average load 0.195649 LDB: TIME 15638.6 LOAD: AVG 0.195649 MAX 0.215973 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.887 MB LDB: TIME 15638.6 LOAD: AVG 0.195649 MAX 0.215973 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.926 MB LDB: TIME 15638.6 LOAD: AVG 0.195649 MAX 0.215973 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.926 MB LDB: ============== END OF LOAD BALANCING =============== 15638.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15638.7 PRESSURE: 4940400 -137.36 -42.6337 37.6308 -42.6337 203.215 214.096 37.6303 214.096 -62.4655 GPRESSURE: 4940400 -78.2189 -72.9555 -42.4838 71.535 214.334 320.643 69.5174 279.922 -60.7341 PRESSAVG: 4940400 -22.1551 0.639445 38.3437 0.639393 1.64895 -10.0076 38.3437 -10.0076 3.4716 GPRESSAVG: 4940400 -22.4164 2.84394 37.7154 -0.114303 3.29832 -10.029 38.2407 -12.3333 2.14516 TIMING: 4940400 CPU: 15626.4, 0.00322801/step Wall: 15626.4, 0.00322801/step, 0.0534415 hours remaining, 235.906250 MB of memory in use. ENERGY: 4940400 4003.3991 20462.0532 14537.5082 244.5375 -203568.9130 2762.4865 0.0000 0.0000 52208.3061 -109350.6222 300.0419 -161558.9283 -108986.1369 299.1829 1.1298 25.1270 761718.8985 -5.6782 -5.6576 PRESSURE: 4940600 138.977 -4.36545 -9.0463 -4.36565 114.092 28.2824 -9.04626 28.283 -186.769 GPRESSURE: 4940600 142.633 -90.9449 31.3997 69.3548 163.97 -8.21171 34.9838 10.0036 -142.328 PRESSAVG: 4940600 -36.996 6.02461 24.4371 6.02463 12.4163 -28.3154 24.4372 -28.3155 0.925991 GPRESSAVG: 4940600 -36.6578 5.06166 25.8006 6.24294 11.7838 -26.6529 22.9507 -29.2369 1.2936 TIMING: 4940600 CPU: 15627.1, 0.0031707/step Wall: 15627.1, 0.0031707/step, 0.0523165 hours remaining, 235.945312 MB of memory in use. ENERGY: 4940600 4016.3287 20382.3252 14561.1539 252.2683 -203553.7831 2852.3412 0.0000 0.0000 52177.4535 -109311.9121 299.8645 -161489.3656 -108947.2084 299.6370 22.0999 54.7581 761215.9444 -7.8845 -7.8602 PRESSURE: 4940800 13.9178 71.0962 -22.7036 71.0967 -31.2373 -79.7779 -22.7034 -79.7778 254.22 GPRESSURE: 4940800 62.726 113.323 -25.8057 52.4837 -18.3289 -32.2071 43.4522 -141.087 292.898 PRESSAVG: 4940800 0.825815 35.2708 -23.023 35.2709 12.2811 -19.5273 -23.023 -19.5272 6.4243 GPRESSAVG: 4940800 1.54666 34.7813 -24.0727 34.393 11.9859 -20.5181 -20.7063 -19.6837 6.23405 TIMING: 4940800 CPU: 15627.7, 0.00316852/step Wall: 15627.7, 0.00316853/step, 0.0521046 hours remaining, 236.148438 MB of memory in use. ENERGY: 4940800 3958.4453 20516.4886 14534.3346 258.6273 -203441.6815 2815.6302 0.0000 0.0000 52042.1874 -109315.9681 299.0872 -161358.1555 -108951.5871 298.8408 78.9669 112.4317 762542.5659 6.5104 6.5889 PRESSURE: 4941000 -89.8661 -10.756 135.748 -10.7564 68.2203 -139.203 135.748 -139.203 292.971 GPRESSURE: 4941000 -117.677 -21.3802 22.2535 18.7252 208.588 -66.2678 84.3562 -233.239 260.84 PRESSAVG: 4941000 -27.2268 24.2812 -34.2905 24.2812 61.6343 -1.90521 -34.2906 -1.90524 -10.1704 GPRESSAVG: 4941000 -27.7787 24.5958 -33.5745 25.0192 61.8642 -1.77071 -35.3911 -1.76435 -10.0571 TIMING: 4941000 CPU: 15628.3, 0.00317578/step Wall: 15628.3, 0.00317578/step, 0.0520476 hours remaining, 236.148438 MB of memory in use. ENERGY: 4941000 3992.5415 20616.9781 14528.2731 236.5290 -203477.1654 2816.7237 0.0000 0.0000 51969.3165 -109316.8034 298.6684 -161286.1200 -108962.2678 299.0700 90.4418 117.2503 761626.2908 8.0790 8.0095 PRESSURE: 4941200 -7.43493 56.9486 -23.2936 56.9487 -300.795 -169.572 -23.2937 -169.572 -283.099 GPRESSURE: 4941200 -79.2262 113.815 -37.9555 163.676 -227.827 -161.714 -75.3228 -191.203 -183.855 PRESSAVG: 4941200 -14.1598 9.4315 -1.41699 9.43159 -5.3954 -28.8118 -1.41698 -28.8117 -19.4323 GPRESSAVG: 4941200 -14.7886 7.86567 -3.18246 10.4868 -4.60243 -28.2913 -0.973965 -29.2652 -18.8349 TIMING: 4941200 CPU: 15629, 0.00318272/step Wall: 15629, 0.00318272/step, 0.0519845 hours remaining, 236.214844 MB of memory in use. ENERGY: 4941200 3930.7273 20625.1525 14627.6526 259.4595 -203152.3187 2577.1864 0.0000 0.0000 51977.4798 -109154.6606 298.7153 -161132.1405 -108796.7249 299.0685 -197.1097 -163.6360 761166.5972 -12.9959 -12.7420 PRESSURE: 4941400 192.245 197.485 192.596 197.485 -65.8696 72.5516 192.596 72.5516 360.304 GPRESSURE: 4941400 163.29 46.2962 153.065 190.367 1.18588 88.7802 230.523 31.3092 390.074 PRESSAVG: 4941400 5.25246 21.0587 12.158 21.0587 -16.2431 -0.890913 12.158 -0.890957 -1.02965 GPRESSAVG: 4941400 6.40492 20.5058 12.9468 20.3169 -16.9 0.876339 12.8372 -1.63704 -1.51988 TIMING: 4941400 CPU: 15629.6, 0.0032136/step Wall: 15629.6, 0.0032136/step, 0.0523103 hours remaining, 236.214844 MB of memory in use. ENERGY: 4941400 3922.5520 20603.0606 14444.8548 240.6249 -203153.8775 2699.3291 0.0000 0.0000 52109.4462 -109134.0101 299.4737 -161243.4562 -108772.0510 299.6591 162.2264 184.8500 763037.1347 -4.0068 -4.0050 PRESSURE: 4941600 57.4622 195.742 -162.625 195.742 49.9778 38.5165 -162.623 38.5159 178.938 GPRESSURE: 4941600 131.04 204.847 -111.9 209.944 56.8856 -37.5554 -219.228 -65.0038 188.354 PRESSAVG: 4941600 10.1187 3.34907 -1.7829 3.34908 -72.2793 7.34653 -1.78284 7.34653 23.5076 GPRESSAVG: 4941600 10.5694 4.39228 -3.2848 3.94123 -72.4572 6.21404 -1.2205 8.29024 22.9295 TIMING: 4941600 CPU: 15630.3, 0.00318646/step Wall: 15630.3, 0.00318646/step, 0.0516915 hours remaining, 236.214844 MB of memory in use. ENERGY: 4941600 3921.8079 20612.4963 14480.1865 228.3538 -203004.8873 2630.3616 0.0000 0.0000 52158.8234 -108972.8578 299.7575 -161131.6813 -108611.5797 299.6691 95.4593 125.4263 762399.0708 -12.8843 -12.9861 PRESSURE: 4941800 148.326 -45.9703 -53.9715 -45.9696 101.163 -48.0154 -53.9722 -48.0156 -417.372 GPRESSURE: 4941800 202.344 -45.7347 -29.9658 -59.6888 38.2154 -81.9734 -169.588 -45.575 -331.759 PRESSAVG: 4941800 33.0395 11.5245 -26.8115 11.5245 -15.4111 -21.2786 -26.8115 -21.2786 18.1049 GPRESSAVG: 4941800 33.132 11.5399 -24.598 11.4845 -16.214 -20.8632 -28.6668 -22.3753 18.5227 TIMING: 4941800 CPU: 15630.9, 0.00316222/step Wall: 15630.9, 0.00316222/step, 0.0511226 hours remaining, 236.214844 MB of memory in use. ENERGY: 4941800 3990.1004 20360.1791 14477.3476 242.5893 -203005.6791 2584.3709 0.0000 0.0000 52377.1041 -108973.9879 301.0119 -161351.0920 -108607.5526 299.4367 -55.9607 -30.3999 761994.8301 11.9111 11.8136 PRESSURE: 4942000 -116.558 -144.637 -108.725 -144.636 265.358 59.6979 -108.725 59.698 -184.089 GPRESSURE: 4942000 -127.569 -159.883 -109.785 -108.975 233.314 -18.8901 -32.261 39.2722 -53.2922 PRESSAVG: 4942000 3.04719 8.63443 -23.6645 8.63448 0.741077 12.9453 -23.6645 12.9452 -29.7382 GPRESSAVG: 4942000 3.07324 5.85114 -22.9647 10.7017 -0.103985 11.2179 -22.164 13.6794 -28.5252 TIMING: 4942000 CPU: 15631.5, 0.00316644/step Wall: 15631.5, 0.00316644/step, 0.0510149 hours remaining, 236.214844 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: 4942000 4001.3198 20663.9173 14500.6078 243.7468 -203035.4867 2612.7024 0.0000 0.0000 52246.1972 -108766.9953 300.2596 -161013.1925 -108411.9557 300.3310 -11.7630 17.4843 761889.3538 -8.6500 -8.5187 PRESSURE: 4942200 -334.724 105.732 -109.291 105.731 -71.4771 159.695 -109.29 159.694 -166.359 GPRESSURE: 4942200 -278.719 16.9631 -157.169 109.25 -8.36216 104.994 -107.006 155.342 -185.387 PRESSAVG: 4942200 -29.1812 -20.6553 -20.525 -20.6554 -17.1115 -6.81736 -20.525 -6.81727 -1.64108 GPRESSAVG: 4942200 -29.532 -17.665 -23.1022 -21.0298 -15.0653 -6.22261 -19.2761 -7.02884 -2.61099 TIMING: 4942200 CPU: 15632.2, 0.0031641/step Wall: 15632.2, 0.0031641/step, 0.0508014 hours remaining, 236.214844 MB of memory in use. ENERGY: 4942200 4043.3446 20583.2915 14475.1305 257.9271 -203092.9086 2521.6113 0.0000 0.0000 52338.4193 -108873.1843 300.7896 -161211.6037 -108514.8752 300.4256 -190.8533 -157.4891 762613.0531 -15.9779 -15.7361 PRESSURE: 4942400 101.979 66.4499 -47.6965 66.4501 60.1861 -118.47 -47.6962 -118.469 -161.86 GPRESSURE: 4942400 48.4123 -21.417 24.6464 40.6018 100.929 -36.9702 -67.4527 -130.166 -59.7893 PRESSAVG: 4942400 28.7112 -33.2019 -5.26776 -33.2018 -14.2133 10.1338 -5.2677 10.1338 -23.7269 GPRESSAVG: 4942400 28.8561 -35.9778 -2.9106 -33.4095 -14.6598 8.715 -7.97539 10.3492 -23.5158 TIMING: 4942400 CPU: 15632.8, 0.00317701/step Wall: 15632.8, 0.00317701/step, 0.0508321 hours remaining, 236.214844 MB of memory in use. ENERGY: 4942400 3942.3837 20695.5020 14490.9929 245.6578 -203408.7041 2840.6221 0.0000 0.0000 52264.1119 -108929.4336 300.3626 -161193.5456 -108561.6064 300.7767 0.1018 29.8507 763095.5191 -3.0763 -3.1065 PRESSURE: 4942600 32.2861 -120.29 87.0205 -120.291 -240.923 246.199 87.0215 246.198 -422.278 GPRESSURE: 4942600 -14.9244 -163.159 63.9012 -46.5872 -211.691 222.726 69.5704 170.868 -321.364 PRESSAVG: 4942600 -38.9494 0.948264 33.7724 0.948206 -28.4794 -23.5006 33.7723 -23.5007 5.9159 GPRESSAVG: 4942600 -39.1313 1.76337 32.8897 -0.342914 -27.8844 -23.0404 34.8965 -25.3596 5.72224 TIMING: 4942600 CPU: 15633.4, 0.00317305/step Wall: 15633.4, 0.00317305/step, 0.0505926 hours remaining, 236.214844 MB of memory in use. ENERGY: 4942600 3991.8282 20516.1124 14570.1012 250.7221 -203190.2536 2505.8391 0.0000 0.0000 52150.3413 -109205.3093 299.7087 -161355.6506 -108836.9082 300.0590 -210.3049 -182.6596 762565.8286 -20.5043 -20.4312 PRESSURE: 4942800 86.1634 -256.421 -152.518 -256.422 -75.0853 -92.1698 -152.518 -92.1707 -130.613 GPRESSURE: 4942800 109.718 -212.959 -84.478 -126.015 -2.17035 -20.7593 -173.615 -142.334 -143.684 PRESSAVG: 4942800 66.5174 46.2859 21.6446 46.286 -52.4938 10.3466 21.6446 10.3466 10.456 GPRESSAVG: 4942800 66.236 47.5498 21.0654 46.1788 -51.2098 12.542 21.7332 11.0893 9.43696 TIMING: 4942800 CPU: 15634.1, 0.00318459/step Wall: 15634.1, 0.00318459/step, 0.0505996 hours remaining, 236.214844 MB of memory in use. ENERGY: 4942800 3959.6743 20539.1406 14564.1080 239.9988 -202793.8662 2273.3042 0.0000 0.0000 51957.1616 -109260.4787 298.5985 -161217.6402 -108894.8873 299.1428 -39.8449 -12.0452 762793.6244 8.1599 8.1544 PRESSURE: 4943000 -35.7777 -16.6081 145.705 -16.6092 -73.5426 -205.012 145.706 -205.012 -150.902 GPRESSURE: 4943000 42.3287 31.9262 129.062 67.9662 -109.167 -145.602 142.01 -95.0061 -121.522 PRESSAVG: 4943000 38.1258 -59.9559 -52.9461 -59.9559 13.8231 10.3506 -52.9461 10.3506 -1.98668 GPRESSAVG: 4943000 39.0348 -58.8816 -52.1954 -59.7389 12.6259 8.94971 -53.0232 14.0096 -1.52215 TIMING: 4943000 CPU: 15634.7, 0.00316736/step Wall: 15634.7, 0.00316736/step, 0.0501499 hours remaining, 236.214844 MB of memory in use. ENERGY: 4943000 4075.3597 20722.0773 14498.1965 251.2633 -203214.1683 2596.9200 0.0000 0.0000 51866.3600 -109203.9914 298.0767 -161070.3514 -108854.6264 299.4148 -86.7409 -62.7869 762792.5106 16.6541 16.7128 PRESSURE: 4943200 194.691 46.5688 -157.093 46.5682 -135.027 -54.7955 -157.093 -54.7954 -13.4159 GPRESSURE: 4943200 167.648 -14.418 -94.4619 -17.6817 -85.2914 -47.5253 -112.836 42.6688 42.785 PRESSAVG: 4943200 50.9533 -21.1488 6.47708 -21.1488 -26.2522 5.7925 6.47715 5.79244 0.473079 GPRESSAVG: 4943200 51.4885 -22.969 6.57958 -21.2733 -25.6257 5.63982 4.95069 3.73889 -0.739309 TIMING: 4943200 CPU: 15635.3, 0.00318991/step Wall: 15635.3, 0.00318991/step, 0.0503297 hours remaining, 236.214844 MB of memory in use. ENERGY: 4943200 3985.0179 20447.8817 14540.2986 232.1848 -203632.4375 2794.1699 0.0000 0.0000 52361.5158 -109271.3688 300.9224 -161632.8846 -108897.9570 299.6350 15.4162 41.7139 761204.4289 8.3914 8.3745 PRESSURE: 4943400 43.3556 106.327 -174.038 106.327 -162.699 -57.4472 -174.037 -57.4464 -313.926 GPRESSURE: 4943400 91.8448 212.367 -207.439 67.5423 -84.9936 -44.6689 -242.126 -238.633 -364.695 PRESSAVG: 4943400 52.8087 16.0377 5.97465 16.0378 -50.2133 15.748 5.97469 15.7481 14.346 GPRESSAVG: 4943400 51.8854 18.9288 4.89373 16.2449 -50.8158 15.7588 7.52955 14.1095 15.3785 TIMING: 4943400 CPU: 15636, 0.00317605/step Wall: 15636, 0.00317605/step, 0.0499345 hours remaining, 236.214844 MB of memory in use. ENERGY: 4943400 3989.3875 20544.9667 14515.2805 263.6192 -203128.4905 2620.0485 0.0000 0.0000 51812.2872 -109382.9008 297.7659 -161195.1880 -109018.8926 298.6245 -144.4230 -119.2813 762793.6100 5.6471 5.4827 PRESSURE: 4943600 299.582 108.39 -25.8387 108.389 -483.97 179.662 -25.8388 179.664 -117.03 GPRESSURE: 4943600 293.775 30.0321 -52.2412 21.7219 -371.078 153.428 -47.7051 132.925 -111.445 PRESSAVG: 4943600 81.4529 9.7698 -14.0571 9.76985 -91.4953 -30.8589 -14.0571 -30.8588 1.24518 GPRESSAVG: 4943600 81.6451 8.71515 -12.2887 7.13587 -91.8886 -29.9307 -14.7195 -30.3484 0.789104 TIMING: 4943600 CPU: 15636.6, 0.00315519/step Wall: 15636.6, 0.00315519/step, 0.0494314 hours remaining, 236.214844 MB of memory in use. ENERGY: 4943600 4090.9040 20325.2878 14412.6121 245.6285 -203505.3839 2901.2475 0.0000 0.0000 52073.5188 -109456.1852 299.2672 -161529.7040 -109091.8159 298.5287 -100.4724 -62.9161 762623.1942 -2.9324 -3.1515 PRESSURE: 4943800 -46.9412 38.2585 -116.761 38.2583 -116.946 57.3364 -116.761 57.3366 45.4962 GPRESSURE: 4943800 -34.5119 45.5783 -119.913 -67.4685 -60.7181 73.9867 -255.364 -55.6048 64.2454 PRESSAVG: 4943800 52.5488 42.0637 25.4052 42.0637 -80.6326 41.2959 25.4052 41.2958 -5.97069 GPRESSAVG: 4943800 52.578 40.8547 23.6581 44.1185 -81.3438 39.9553 26.7996 42.4685 -5.48913 TIMING: 4943800 CPU: 15637.2, 0.00315175/step Wall: 15637.2, 0.00315175/step, 0.0492023 hours remaining, 236.214844 MB of memory in use. ENERGY: 4943800 3977.5133 20565.0475 14586.1082 243.3482 -203412.8308 2618.6227 0.0000 0.0000 51851.9850 -109570.2060 297.9941 -161422.1910 -109218.1184 298.6815 -39.4637 -10.3282 762269.3213 -11.3515 -11.4183 PRESSURE: 4944000 -201.248 136.668 209.901 136.668 -81.7289 -162.791 209.901 -162.792 -105.854 GPRESSURE: 4944000 -206.544 155.127 306.235 12.5083 -51.0868 -153.036 103.933 -184.24 -36.7739 PRESSAVG: 4944000 62.2834 30.3303 -9.27124 30.3302 -98.9353 18.3362 -9.27125 18.3362 -12.3652 GPRESSAVG: 4944000 61.6739 29.2524 -8.42587 31.5843 -98.2488 17.9919 -8.47078 18.6282 -13.0317 TIMING: 4944000 CPU: 15637.9, 0.00316035/step Wall: 15637.9, 0.00316035/step, 0.0491611 hours remaining, 236.214844 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: 4944000 3964.3995 20576.8406 14585.0473 248.1548 -203529.6793 2767.6635 0.0000 0.0000 52039.5046 -109348.0691 299.0717 -161387.5736 -108990.5008 298.9532 -129.6102 -98.1348 762807.2963 -16.3390 -16.5355 PRESSURE: 4944200 -390.617 104.306 12.7888 104.306 -405.767 -3.83417 12.7887 -3.83493 -0.539334 GPRESSURE: 4944200 -367.103 113.395 -1.84057 130.055 -278.886 -31.4822 170.649 -41.6437 -54.7162 PRESSAVG: 4944200 80.2295 19.5013 4.27078 19.5012 -66.9965 -54.031 4.27076 -54.031 3.98368 GPRESSAVG: 4944200 79.2786 21.6016 4.26169 20.5246 -66.5812 -53.0294 3.96916 -52.7367 4.32923 TIMING: 4944200 CPU: 15638.5, 0.00316269/step Wall: 15638.5, 0.00316269/step, 0.0490217 hours remaining, 236.214844 MB of memory in use. ENERGY: 4944200 4052.7469 20496.7354 14591.5483 265.4445 -202849.7992 2285.6514 0.0000 0.0000 51885.2819 -109272.3908 298.1854 -161157.6727 -108912.6553 299.5346 -265.6410 -233.5683 762712.0528 5.7389 5.6755 LDB: ============= START OF LOAD BALANCING ============== 15651 LDB: ============== END OF LOAD BALANCING =============== 15651 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15651 LDB: ============= START OF LOAD BALANCING ============== 15651.3 LDB: Largest compute 7026 load 0.035325 is 18.1% of average load 0.195592 LDB: Average compute 0.004389 is 2.2% of average load 0.195592 LDB: TIME 15651.3 LOAD: AVG 0.195592 MAX 0.214798 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.488 MB LDB: TIME 15651.3 LOAD: AVG 0.195592 MAX 0.214798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: TIME 15651.3 LOAD: AVG 0.195592 MAX 0.214798 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.559 MB LDB: ============== END OF LOAD BALANCING =============== 15651.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15651.4 PRESSURE: 4944400 -248.795 -37.6118 -82.8324 -37.6118 -378.975 214.389 -82.8326 214.389 212.399 GPRESSURE: 4944400 -296.41 -111.936 -15.249 -61.5593 -289.331 221.822 -188.56 222.026 249.273 PRESSAVG: 4944400 -54.5479 -15.6131 -21.7526 -15.6131 43.8239 -9.93228 -21.7527 -9.9323 12.1724 GPRESSAVG: 4944400 -54.7299 -16.8856 -20.4976 -16.4331 44.2881 -11.2802 -22.5975 -9.16156 11.6331 TIMING: 4944400 CPU: 15639.1, 0.00323578/step Wall: 15639.1, 0.00323578/step, 0.0499748 hours remaining, 235.453125 MB of memory in use. ENERGY: 4944400 4000.6914 20401.5057 14509.9594 255.5426 -202814.3140 2343.7204 0.0000 0.0000 51945.7280 -109357.1665 298.5328 -161302.8945 -108987.9104 299.0004 -138.4570 -112.1561 763512.8006 0.4828 0.3971 PRESSURE: 4944600 138.209 28.0196 10.5917 28.0194 -397.54 -332.234 10.5928 -332.235 -201.967 GPRESSURE: 4944600 91.9857 109.712 74.3664 154.166 -267.432 -240.782 72.3 -324.018 -194.796 PRESSAVG: 4944600 -27.4699 2.07871 21.8652 2.07866 36.9119 -52.184 21.8652 -52.1841 22.6396 GPRESSAVG: 4944600 -26.7739 2.85735 20.6479 1.64629 35.9809 -51.0181 21.2786 -53.2829 22.2946 TIMING: 4944600 CPU: 15639.8, 0.00316369/step Wall: 15639.8, 0.00316369/step, 0.0486856 hours remaining, 235.453125 MB of memory in use. ENERGY: 4944600 3977.3619 20530.3682 14521.1098 246.2241 -203192.8565 2424.9422 0.0000 0.0000 52138.8626 -109353.9878 299.6428 -161492.8504 -108981.5005 299.1332 -153.7662 -123.4142 762881.1635 10.6939 10.5006 PRESSURE: 4944800 56.7763 220.525 -82.1127 220.526 209.647 -72.1218 -82.1133 -72.123 -7.14702 GPRESSURE: 4944800 127.699 272.756 -37.8167 215.227 215.838 7.33507 8.57784 -135.939 4.58425 PRESSAVG: 4944800 -13.2847 -13.5956 -2.21508 -13.5956 -17.4929 -43.0183 -2.21507 -43.0183 5.48175 GPRESSAVG: 4944800 -13.4133 -11.5483 -3.25718 -14.0393 -16.6727 -42.1623 -0.803338 -42.7784 5.33393 TIMING: 4944800 CPU: 15640.4, 0.00315944/step Wall: 15640.4, 0.00315944/step, 0.0484447 hours remaining, 235.453125 MB of memory in use. ENERGY: 4944800 3943.7350 20710.9519 14491.6926 252.8639 -203308.7083 2679.2130 0.0000 0.0000 51805.6121 -109424.6397 297.7276 -161230.2518 -109071.8417 299.2515 86.4255 116.0402 762076.8209 -8.4320 -8.2507 PRESSURE: 4945000 48.8222 -2.66869 0.66605 -2.66893 -186.583 -64.824 0.666725 -64.8237 -101.103 GPRESSURE: 4945000 45.2414 -1.80561 9.77039 -33.2559 -159.926 -160.612 29.6817 3.97754 -44.1552 PRESSAVG: 4945000 30.0869 -28.9604 -11.7823 -28.9604 16.2672 -14.2484 -11.7823 -14.2484 8.56863 GPRESSAVG: 4945000 29.919 -30.3284 -10.4232 -29.3112 15.8739 -14.9311 -10.8105 -16.4107 9.54722 TIMING: 4945000 CPU: 15641, 0.00318391/step Wall: 15641, 0.00318391/step, 0.0486431 hours remaining, 235.453125 MB of memory in use. ENERGY: 4945000 3970.2221 20514.8796 14524.7863 265.2063 -203270.1339 2518.4545 0.0000 0.0000 52081.7091 -109394.8760 299.3143 -161476.5851 -109031.7360 299.3494 -79.6212 -52.9467 760382.7717 18.3076 18.4467 PRESSURE: 4945200 -123.002 237.769 326.884 237.769 -97.1353 -76.2201 326.883 -76.2208 -70.7005 GPRESSURE: 4945200 -155.699 36.0941 308.18 204.41 -11.5471 -51.8434 170.738 -18.5055 -33.56 PRESSAVG: 4945200 37.25 48.7114 -2.56818 48.7114 -19.2631 -3.13107 -2.56809 -3.13108 30.5622 GPRESSAVG: 4945200 38.0947 45.8788 -4.4626 48.5416 -20.3003 -2.40374 -4.14329 -1.77848 30.1119 TIMING: 4945200 CPU: 15641.7, 0.00317448/step Wall: 15641.7, 0.00317448/step, 0.0483227 hours remaining, 235.578125 MB of memory in use. ENERGY: 4945200 3962.8594 20487.5296 14538.1731 260.5074 -203101.6575 2623.7829 0.0000 0.0000 51834.8990 -109393.9061 297.8959 -161228.8051 -109033.9078 299.1481 -96.9460 -66.9354 762462.9744 16.1830 15.9688 PRESSURE: 4945400 -247.357 -171.429 -135.486 -171.429 128.318 -18.4135 -135.486 -18.4141 -40.467 GPRESSURE: 4945400 -202.12 -103.585 -143.257 -111.455 187.585 -30.7348 -128.278 13.5568 -69.0078 PRESSAVG: 4945400 50.4903 37.2386 29.5386 37.2386 -52.7472 21.2137 29.5386 21.2138 3.91515 GPRESSAVG: 4945400 49.2497 38.3426 31.9023 37.9265 -51.4289 22.0274 28.9433 20.1608 4.12979 TIMING: 4945400 CPU: 15642.3, 0.00322164/step Wall: 15642.3, 0.00322164/step, 0.0488616 hours remaining, 235.578125 MB of memory in use. ENERGY: 4945400 4018.5939 20605.8458 14545.8716 247.7982 -203381.1436 2698.8573 0.0000 0.0000 51970.4363 -109293.7405 298.6748 -161264.1768 -108940.8175 298.6927 -53.1687 -27.8474 760237.5092 0.5527 0.6502 PRESSURE: 4945600 -178.965 157.517 -124.573 157.518 -112.328 119.749 -124.572 119.748 154.354 GPRESSURE: 4945600 -48.8154 138.551 -102.327 218.407 -133.549 111.42 -135.787 -92.7278 123.651 PRESSAVG: 4945600 0.803144 9.26453 13.6735 9.26449 22.5551 21.654 13.6735 21.6541 14.5119 GPRESSAVG: 4945600 1.79435 10.2029 13.8069 10.3051 21.6718 20.2498 14.0879 22.1048 14.0102 TIMING: 4945600 CPU: 15643, 0.00317094/step Wall: 15643, 0.00317094/step, 0.0479164 hours remaining, 235.578125 MB of memory in use. ENERGY: 4945600 3947.4747 20451.5299 14488.6167 253.4380 -202917.1614 2505.7349 0.0000 0.0000 51830.8748 -109439.4923 297.8727 -161270.3671 -109079.9839 299.2350 -45.6465 -19.5712 760620.6589 12.6234 12.4921 PRESSURE: 4945800 83.7998 46.5908 -298.27 46.5907 281.42 81.9505 -298.271 81.9509 250.064 GPRESSURE: 4945800 147.527 -70.4826 -212.155 -28.0498 306.706 40.3565 -333.23 137.627 245.067 PRESSAVG: 4945800 25.1217 -16.5168 21.627 -16.5168 0.670977 -15.553 21.627 -15.5529 27.5487 GPRESSAVG: 4945800 22.3126 -15.6108 20.8275 -17.3601 2.58533 -16.295 21.0918 -15.0778 27.9175 TIMING: 4945800 CPU: 15643.6, 0.00319658/step Wall: 15643.6, 0.00319658/step, 0.0481263 hours remaining, 235.578125 MB of memory in use. ENERGY: 4945800 4007.5220 20412.1576 14477.7324 255.4957 -203260.4637 2773.3223 0.0000 0.0000 52054.6441 -109279.5895 299.1588 -161334.2336 -108918.3327 298.9175 205.0946 233.0999 761936.7773 17.7804 17.6052 PRESSURE: 4946000 213.122 -93.8758 134.383 -93.8756 115.817 275.468 134.383 275.467 118.255 GPRESSURE: 4946000 384.407 -46.9931 19.2601 -45.6169 94.0957 329.897 151.461 17.5232 94.9867 PRESSAVG: 4946000 -47.2636 19.1813 8.69628 19.1812 30.9178 33.0955 8.69626 33.0955 -16.9841 GPRESSAVG: 4946000 -43.8382 18.2843 6.69964 19.4228 28.9086 32.4656 11.0932 34.8024 -18.2113 TIMING: 4946000 CPU: 15644.2, 0.00319366/step Wall: 15644.2, 0.00319366/step, 0.0479049 hours remaining, 235.578125 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: 4946000 4015.1317 20573.7871 14531.6074 241.8186 -203405.5643 2686.9320 0.0000 0.0000 51930.0571 -109426.2304 298.4428 -161356.2875 -109064.6073 299.3961 149.0649 191.1630 761932.3268 -11.1100 -11.0470 PRESSURE: 4946200 106.216 5.01214 -13.3605 5.01156 -296.525 -206.071 -13.36 -206.072 -96.5283 GPRESSURE: 4946200 121.105 52.1134 -23.066 87.9754 -202.386 -166.095 47.1314 -188.75 -117.93 PRESSAVG: 4946200 17.4606 -7.20113 28.5817 -7.20115 -38.354 -1.65957 28.5817 -1.65958 -2.48055 GPRESSAVG: 4946200 16.3736 -4.94507 29.3167 -8.32073 -37.0138 -0.691579 29.5262 -3.13504 -2.8714 TIMING: 4946200 CPU: 15644.9, 0.00318665/step Wall: 15644.9, 0.00318665/step, 0.0476227 hours remaining, 235.578125 MB of memory in use. ENERGY: 4946200 4009.9063 20559.2965 14433.7725 232.9009 -203082.2104 2420.3857 0.0000 0.0000 51840.1634 -109585.7851 297.9261 -161425.9485 -109225.1980 298.8400 -95.6122 -66.4036 761438.9421 -7.7913 -7.8372 PRESSURE: 4946400 -96.3239 -134.99 -3.53041 -134.989 115.118 117.615 -3.52991 117.615 480.648 GPRESSURE: 4946400 -86.5363 -130.155 65.6688 -90.534 97.5495 120.12 49.2383 62.7787 586.188 PRESSAVG: 4946400 1.64287 7.6135 13.2993 7.61358 -26.6356 -6.42654 13.2993 -6.42648 -6.25019 GPRESSAVG: 4946400 0.110568 4.3548 14.8397 8.01334 -27.3805 -5.46186 12.7513 -6.61756 -3.82339 TIMING: 4946400 CPU: 15645.5, 0.00318949/step Wall: 15645.5, 0.00318949/step, 0.047488 hours remaining, 235.578125 MB of memory in use. ENERGY: 4946400 4047.8694 20518.4800 14510.8449 242.8782 -203741.4682 2859.6630 0.0000 0.0000 52126.4538 -109435.2790 299.5714 -161561.7328 -109079.7178 298.7593 166.4808 199.0671 760967.9182 -10.4143 -10.3644 PRESSURE: 4946600 473.383 84.4595 -16.5378 84.4597 254.337 5.65415 -16.5369 5.65393 100.969 GPRESSURE: 4946600 411.77 28.8022 -84.5601 74.4927 375.53 25.3164 92.251 18.3638 106.637 PRESSAVG: 4946600 8.01356 -24.4208 74.5349 -24.4208 -9.40063 -45.1391 74.535 -45.1391 -9.60895 GPRESSAVG: 4946600 9.80579 -22.7244 72.4749 -26.1781 -10.1705 -44.8034 75.52 -43.6644 -10.9084 TIMING: 4946600 CPU: 15646.1, 0.00316964/step Wall: 15646.1, 0.00316964/step, 0.0470163 hours remaining, 235.578125 MB of memory in use. ENERGY: 4946600 3949.6830 20557.8760 14545.7267 259.7680 -203385.3092 2794.1031 0.0000 0.0000 51964.8628 -109313.2897 298.6428 -161278.1525 -108942.5604 299.4875 276.2295 297.9792 759427.7047 -3.6653 -3.7577 PRESSURE: 4946800 -292.518 -75.7641 -235.264 -75.7641 -44.1278 -190.894 -235.264 -190.893 313.289 GPRESSURE: 4946800 -226.41 19.0014 -268.336 -60.3283 -73.6686 -206.098 -69.8568 -138.08 363.267 PRESSAVG: 4946800 13.6029 5.07698 -14.2302 5.07692 -50.7579 -35.0811 -14.2303 -35.0811 -6.84236 GPRESSAVG: 4946800 11.7986 3.7978 -13.4369 6.48524 -49.7772 -38.1986 -14.3228 -35.8956 -6.11434 TIMING: 4946800 CPU: 15646.8, 0.00317736/step Wall: 15646.8, 0.00317736/step, 0.0469543 hours remaining, 235.578125 MB of memory in use. ENERGY: 4946800 3938.5610 20603.9724 14494.7693 228.6168 -202713.5879 2289.7182 0.0000 0.0000 51935.1709 -109222.7793 298.4721 -161157.9502 -108851.2322 299.3742 -7.7856 21.0628 762599.9804 -14.6658 -14.6977 PRESSURE: 4947000 -267.202 -30.0109 116.614 -30.0109 42.3266 -150.349 116.614 -150.348 250.215 GPRESSURE: 4947000 -179.007 99.6006 139.35 -36.4081 89.1099 -101.373 123.447 -119.089 207.016 PRESSAVG: 4947000 39.5687 -24.6832 12.8948 -24.6831 -61.5827 14.4085 12.8947 14.4086 -0.264676 GPRESSAVG: 4947000 39.8242 -22.8036 11.6817 -24.8265 -61.9049 17.6009 12.3035 14.4396 -0.458779 TIMING: 4947000 CPU: 15647.4, 0.00316714/step Wall: 15647.4, 0.00316714/step, 0.0466274 hours remaining, 235.578125 MB of memory in use. ENERGY: 4947000 3972.4997 20610.1661 14523.4142 251.4378 -203274.2380 2680.4610 0.0000 0.0000 51897.3016 -109338.9577 298.2545 -161236.2592 -108971.9991 299.3284 8.4465 39.0395 762528.9038 -7.4262 -7.5132 PRESSURE: 4947200 192.314 -160.15 57.3876 -160.151 -47.87 -40.3663 57.3865 -40.367 238.937 GPRESSURE: 4947200 170.782 -127.775 94.5595 -157.633 66.3311 28.0127 -69.4139 -52.371 225.25 PRESSAVG: 4947200 3.89745 10.9177 -10.1698 10.9177 -6.11308 -30.2744 -10.1699 -30.2744 2.36369 GPRESSAVG: 4947200 3.57566 11.6014 -8.17085 10.5712 -6.60662 -31.2047 -12.6374 -28.3375 2.70353 TIMING: 4947200 CPU: 15648, 0.00315623/step Wall: 15648, 0.00315623/step, 0.0462913 hours remaining, 235.578125 MB of memory in use. ENERGY: 4947200 3927.0736 20560.3154 14540.3309 257.5525 -203985.0331 3040.1543 0.0000 0.0000 52101.2477 -109558.3586 299.4266 -161659.6063 -109190.0423 299.1991 127.7936 154.1210 760789.2666 0.0494 -0.1091 PRESSURE: 4947400 282.137 102.721 -238.178 102.721 -357.717 -3.20268 -238.179 -3.20178 162.573 GPRESSURE: 4947400 195.808 109.957 -179.476 167.179 -248.617 16.1394 -173.836 -74.8978 204.048 PRESSAVG: 4947400 2.5674 -17.21 -32.9349 -17.21 -22.1797 10.459 -32.935 10.4591 -8.88573 GPRESSAVG: 4947400 3.03238 -20.3088 -33.7677 -18.7293 -22.2762 9.21216 -30.6149 9.68046 -10.0584 TIMING: 4947400 CPU: 15648.7, 0.00316527/step Wall: 15648.7, 0.00316527/step, 0.0462481 hours remaining, 235.578125 MB of memory in use. ENERGY: 4947400 3997.3348 20331.9563 14597.1760 248.5645 -203336.5671 2548.2344 0.0000 0.0000 52271.1009 -109342.2001 300.4027 -161613.3010 -108972.5414 299.2251 28.9977 50.4129 760394.5325 -9.4994 -9.7674 PRESSURE: 4947600 -416.359 -62.5937 77.3705 -62.5932 -404.132 35.139 77.37 35.1392 -593.901 GPRESSURE: 4947600 -377.972 -109.151 -6.46303 -52.8987 -371.22 -31.742 -2.63776 20.944 -575.57 PRESSAVG: 4947600 -8.71931 22.9458 -44.9486 22.9459 11.6511 18.5079 -44.9486 18.5078 -25.5868 GPRESSAVG: 4947600 -8.05563 24.2941 -45.561 25.544 11.2497 17.2996 -46.1971 17.9203 -25.4506 TIMING: 4947600 CPU: 15649.3, 0.00316953/step Wall: 15649.3, 0.00316953/step, 0.0461343 hours remaining, 235.578125 MB of memory in use. ENERGY: 4947600 4010.3410 20499.6137 14517.3579 248.9410 -203018.7341 2357.8178 0.0000 0.0000 51969.8603 -109414.8024 298.6715 -161384.6627 -109050.3986 299.1570 -471.4640 -441.5871 764694.6013 -7.5516 -7.4188 PRESSURE: 4947800 209.753 -37.4109 132.477 -37.4114 45.225 269.009 132.477 269.009 5.91358 GPRESSURE: 4947800 182.535 30.5317 62.3063 -139.138 85.9987 294.996 122.696 173.852 67.9701 PRESSAVG: 4947800 -20.3141 1.27851 -12.0081 1.27857 -3.06566 20.22 -12.0081 20.22 -0.721956 GPRESSAVG: 4947800 -20.5656 2.61417 -11.0278 -0.3658 -2.22083 21.4327 -10.5993 19.6867 -1.13838 TIMING: 4947800 CPU: 15649.9, 0.00319114/step Wall: 15649.9, 0.00319114/step, 0.0462715 hours remaining, 235.578125 MB of memory in use. ENERGY: 4947800 3997.2425 20594.6811 14486.4695 250.4564 -203061.5725 2571.9342 0.0000 0.0000 51789.8350 -109370.9538 297.6369 -161160.7888 -109009.9756 299.1320 86.9638 112.1681 763051.0282 -8.0339 -7.9749 PRESSURE: 4948000 28.3474 52.9969 122.925 52.9979 -3.39172 -3.29741 122.925 -3.29814 -269.009 GPRESSURE: 4948000 7.68172 50.4897 171.013 -56.4385 40.5986 -43.8455 207.252 82.863 -178.308 PRESSAVG: 4948000 12.7138 -0.494277 64.9785 -0.494253 -36.2972 0.490825 64.9785 0.49073 -6.28974 GPRESSAVG: 4948000 11.1305 -2.27736 65.006 0.976083 -36.6707 0.768359 64.7381 -0.581554 -4.93466 TIMING: 4948000 CPU: 15650.6, 0.00317214/step Wall: 15650.6, 0.00317214/step, 0.0458197 hours remaining, 235.578125 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: 4948000 3980.9886 20465.3282 14492.3563 253.7154 -203145.4235 2812.1185 0.0000 0.0000 51964.8624 -109176.0542 298.6428 -161140.9166 -108815.9557 299.0420 -81.3510 -43.3426 763130.2003 -9.9577 -10.1583 PRESSURE: 4948200 125.841 -50.5783 -116.563 -50.5776 129.59 71.0369 -116.563 71.0372 93.0718 GPRESSURE: 4948200 213.029 37.2506 -93.0424 -49.4671 37.9252 134.495 -93.774 -42.6151 171.161 PRESSAVG: 4948200 0.748162 -43.3278 5.1054 -43.3278 15.466 -9.28651 5.10543 -9.28646 -13.2336 GPRESSAVG: 4948200 1.54496 -43.8939 4.38921 -44.3545 14.2066 -7.55789 6.4153 -7.40286 -13.035 TIMING: 4948200 CPU: 15651.2, 0.00316227/step Wall: 15651.2, 0.00316227/step, 0.0455016 hours remaining, 235.578125 MB of memory in use. ENERGY: 4948200 4022.0182 20565.7832 14469.2316 247.9444 -203596.8953 3000.9401 0.0000 0.0000 52210.3731 -109080.6047 300.0537 -161290.9778 -108716.4398 299.5032 116.1676 140.7051 761510.9030 0.9935 0.9055 LDB: ============= START OF LOAD BALANCING ============== 15663.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 15663.7 LDB: =============== DONE WITH MIGRATION ================ 15663.8 LDB: ============= START OF LOAD BALANCING ============== 15664.1 LDB: Largest compute 7032 load 0.034882 is 17.8% of average load 0.195668 LDB: Average compute 0.004406 is 2.3% of average load 0.195668 LDB: TIME 15664.1 LOAD: AVG 0.195668 MAX 0.21649 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.141 MB LDB: TIME 15664.1 LOAD: AVG 0.195668 MAX 0.21649 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: TIME 15664.1 LOAD: AVG 0.195668 MAX 0.21649 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.27 MB LDB: ============== END OF LOAD BALANCING =============== 15664.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15664.1 PRESSURE: 4948400 419.742 55.2899 165.966 55.2909 -99.0121 -231.663 165.966 -231.664 106.891 GPRESSURE: 4948400 321.905 -45.6978 253.453 -65.3664 3.53759 -272.139 176.54 -46.4921 196.206 PRESSAVG: 4948400 -4.1647 -47.2481 24.7756 -47.248 -20.6598 -50.0974 24.7756 -50.0975 15.3804 GPRESSAVG: 4948400 -5.31772 -47.9937 24.8793 -45.9613 -18.9832 -51.7692 24.2756 -49.8319 15.5336 TIMING: 4948400 CPU: 15651.9, 0.00327356/step Wall: 15651.9, 0.00327356/step, 0.046921 hours remaining, 236.421875 MB of memory in use. ENERGY: 4948400 4055.6936 20472.5471 14543.3620 238.1513 -202854.9854 2642.1350 0.0000 0.0000 51808.0177 -109095.0785 297.7414 -160903.0963 -108733.6946 299.1750 142.5404 173.8830 762776.7826 -3.1480 -2.9225 PRESSURE: 4948600 -190.872 64.7258 -38.0217 64.7268 -14.4976 260.957 -38.0218 260.957 -216.496 GPRESSURE: 4948600 -23.9018 167.185 -74.1106 38.6756 10.9351 186.043 -16.5908 342.484 -309.994 PRESSAVG: 4948600 -26.1028 -20.7965 0.561318 -20.7965 49.3094 -9.53013 0.561317 -9.53011 -1.63458 GPRESSAVG: 4948600 -23.9501 -18.1732 2.20727 -23.4272 49.2705 -9.78442 0.124235 -10.0282 -3.26404 TIMING: 4948600 CPU: 15652.5, 0.00320724/step Wall: 15652.5, 0.00320724/step, 0.0457922 hours remaining, 236.421875 MB of memory in use. ENERGY: 4948600 4055.7972 20413.6071 14500.0982 256.9016 -203134.9067 2552.2767 0.0000 0.0000 52195.4035 -109160.8224 299.9677 -161356.2260 -108794.8485 299.0031 -140.6218 -107.6536 761469.4467 7.1907 7.3521 PRESSURE: 4948800 190.656 -134.064 289.23 -134.064 -97.7731 -160.174 289.229 -160.174 8.21608 GPRESSURE: 4948800 243.934 -69.6315 287.98 -58.4045 -92.1571 -109.995 324.575 -79.6752 35.2651 PRESSAVG: 4948800 -15.3778 -9.69875 -12.0958 -9.69871 44.3456 3.58488 -12.0957 3.58491 -8.28546 GPRESSAVG: 4948800 -15.2047 -12.4008 -14.0348 -7.06333 43.8343 4.55369 -11.4691 4.7912 -7.22899 TIMING: 4948800 CPU: 15653.1, 0.00318011/step Wall: 15653.1, 0.00318011/step, 0.0452282 hours remaining, 236.460938 MB of memory in use. ENERGY: 4948800 3921.7483 20731.1327 14549.2026 240.4643 -203373.9853 2465.7954 0.0000 0.0000 52294.4486 -109171.1934 300.5369 -161465.6420 -108807.2930 299.3875 33.6996 62.3475 761678.1002 6.8941 7.1335 PRESSURE: 4949000 -253.38 -70.1781 56.3656 -70.1778 -348.826 -6.30272 56.3652 -6.30319 -97.4075 GPRESSURE: 4949000 -318.174 -1.59292 50.159 -67.1455 -229.704 -19.403 99.8528 -153.109 -70.9703 PRESSAVG: 4949000 -21.3538 -36.1244 16.1533 -36.1245 10.2578 8.92533 16.1533 8.92534 0.130715 GPRESSAVG: 4949000 -22.0782 -35.5928 18.0057 -37.1308 10.6647 9.38743 14.9437 6.6861 0.425019 TIMING: 4949000 CPU: 15653.8, 0.00315484/step Wall: 15653.8, 0.00315484/step, 0.0446936 hours remaining, 236.460938 MB of memory in use. ENERGY: 4949000 4010.6808 20675.4320 14523.1916 258.3433 -203199.9110 2589.2163 0.0000 0.0000 52060.9542 -109082.0927 299.1950 -161143.0469 -108721.2612 299.6376 -233.2046 -206.2828 764334.9707 -3.6551 -3.6628 PRESSURE: 4949200 66.4446 -80.4599 -51.35 -80.4606 -19.322 83.6551 -51.3506 83.6556 -237.681 GPRESSURE: 4949200 97.1323 -211.067 -46.4607 46.6185 46.9232 133.033 -40.7268 185.495 -241.133 PRESSAVG: 4949200 7.997 -48.4461 81.1092 -48.4461 33.8722 8.17758 81.1092 8.17763 -4.13375 GPRESSAVG: 4949200 7.9759 -48.5482 80.4649 -48.1756 33.6769 7.26636 81.7644 8.76662 -4.15563 TIMING: 4949200 CPU: 15654.4, 0.00318371/step Wall: 15654.4, 0.00318371/step, 0.0449257 hours remaining, 236.460938 MB of memory in use. ENERGY: 4949200 3988.0348 20609.2966 14496.8799 249.2240 -203095.5800 2401.5551 0.0000 0.0000 52391.8995 -108958.6900 301.0970 -161350.5895 -108592.4202 299.7107 -63.5196 -32.3590 761571.0813 12.5785 12.4991 PRESSURE: 4949400 34.547 -59.8417 -83.5584 -59.8407 46.6317 132.662 -83.5598 132.662 -142.206 GPRESSURE: 4949400 125.098 -94.6291 -52.2416 10.1072 74.4406 225.059 1.67972 77.0206 -148.53 PRESSAVG: 4949400 18.6355 2.32021 35.9075 2.32031 -18.4228 -4.90336 35.9075 -4.90335 4.28954 GPRESSAVG: 4949400 18.7921 2.0249 36.7336 0.457641 -18.5949 -4.3052 34.8352 -4.36927 4.41527 TIMING: 4949400 CPU: 15655.1, 0.00318009/step Wall: 15655.1, 0.00318009/step, 0.0446979 hours remaining, 236.460938 MB of memory in use. ENERGY: 4949400 4012.1270 20686.2832 14509.4964 255.0873 -203559.0337 2825.4613 0.0000 0.0000 52097.5395 -109173.0391 299.4053 -161270.5786 -108808.8714 299.8251 -20.3424 17.0028 760775.8405 1.5007 1.5375 PRESSURE: 4949600 -14.1731 -214.849 -256.487 -214.849 -93.6745 187.368 -256.487 187.368 86.6196 GPRESSURE: 4949600 -62.8096 -124.106 -190.494 -197.447 -60.8751 175.8 -258.83 189.683 164.059 PRESSAVG: 4949600 32.5399 -21.5206 -40.2932 -21.5206 -52.7706 -1.71582 -40.2933 -1.71583 6.17228 GPRESSAVG: 4949600 33.2577 -22.4821 -40.0523 -19.4267 -52.4915 -3.22175 -39.4302 -3.11092 5.56071 TIMING: 4949600 CPU: 15655.7, 0.00314638/step Wall: 15655.7, 0.00314638/step, 0.0440493 hours remaining, 236.460938 MB of memory in use. ENERGY: 4949600 4036.7456 20638.8576 14444.3207 249.8489 -203451.3720 2828.8637 0.0000 0.0000 52112.5889 -109140.1466 299.4918 -161252.7354 -108777.6468 299.6932 -7.0760 13.4580 761724.7477 -4.6862 -4.5577 PRESSURE: 4949800 -169.505 2.27244 -124.414 2.27192 -181.509 -174.354 -124.414 -174.354 -466.116 GPRESSURE: 4949800 -43.9967 40.5596 -142.605 31.2216 -232.423 -198.014 -133.503 -121.101 -449.902 PRESSAVG: 4949800 -38.9281 -61.0254 -23.3422 -61.0254 30.7438 -7.19417 -23.3422 -7.19424 -13.2958 GPRESSAVG: 4949800 -38.9158 -60.4109 -24.6087 -60.1249 30.2242 -4.97251 -23.5022 -6.19408 -12.477 TIMING: 4949800 CPU: 15656.3, 0.00315501/step Wall: 15656.3, 0.00315501/step, 0.0439949 hours remaining, 236.460938 MB of memory in use. ENERGY: 4949800 4018.9486 20427.5844 14467.4255 244.8160 -202925.3710 2263.0525 0.0000 0.0000 52259.3551 -109244.1889 300.3352 -161503.5440 -108866.5728 299.8649 -272.3766 -242.1071 762099.3795 -7.1600 -7.0562 PRESSURE: 4950000 -99.0412 183.097 97.8068 183.097 0.0103471 72.4114 97.8065 72.4115 58.6789 GPRESSURE: 4950000 -135.919 249.236 168.908 223.59 93.1126 -14.1984 1.9923 76.7574 75.91 PRESSAVG: 4950000 -46.4278 -35.0539 27.4351 -35.054 71.1463 33.3475 27.4351 33.3475 10.1882 GPRESSAVG: 4950000 -46.7325 -34.8577 26.3798 -37.4949 71.9511 32.8615 27.1341 33.8995 9.60097 TIMING: 4950000 CPU: 15656.9, 0.00315968/step Wall: 15656.9, 0.00315968/step, 0.0438845 hours remaining, 236.460938 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: 4950000 4085.4860 20527.2896 14529.0110 268.5806 -203336.1305 2712.9382 0.0000 0.0000 52105.9918 -109106.8332 299.4539 -161212.8250 -108751.7595 299.9349 -13.4506 11.0344 761606.9089 11.6356 11.6065 PRESSURE: 4950200 -104.426 -3.16777 -69.0898 -3.16701 -303.103 4.68025 -69.0901 4.68034 -190.442 GPRESSURE: 4950200 -59.4694 120.233 2.50208 -44.933 -335.246 0.865284 -48.6838 -176.066 -140.376 PRESSAVG: 4950200 -18.2208 -51.1193 -12.0618 -51.1194 0.439122 -32.1347 -12.0618 -32.1349 14.1567 GPRESSAVG: 4950200 -16.5832 -50.5933 -11.7839 -51.9786 -1.77133 -32.906 -11.0313 -33.167 14.1288 TIMING: 4950200 CPU: 15657.6, 0.00316914/step Wall: 15657.6, 0.00316914/step, 0.0438398 hours remaining, 236.460938 MB of memory in use. ENERGY: 4950200 3983.9510 20431.5472 14518.3948 248.6995 -203238.9516 2581.9269 0.0000 0.0000 52464.9959 -109009.4364 301.5171 -161474.4323 -108632.9040 300.1145 -199.3235 -178.3639 761776.4534 -1.2083 -1.4086 PRESSURE: 4950400 25.367 55.7236 -14.565 55.7235 168.288 -99.9426 -14.5642 -99.9437 -181.536 GPRESSURE: 4950400 73.5996 162.251 145.044 26.7101 243.916 -64.0141 -131.739 -264.464 -232.356 PRESSAVG: 4950400 -3.44974 -27.8402 56.9269 -27.8403 36.5141 10.0586 56.9268 10.0586 0.0562187 GPRESSAVG: 4950400 -4.88174 -24.6172 59.2509 -26.548 38.433 10.151 55.0207 10.4037 -0.474209 TIMING: 4950400 CPU: 15658.2, 0.00316977/step Wall: 15658.2, 0.00316976/step, 0.0436723 hours remaining, 236.460938 MB of memory in use. ENERGY: 4950400 4026.4044 20621.3512 14419.2423 244.5446 -203310.5335 2815.9568 0.0000 0.0000 52130.0310 -109053.0032 299.5920 -161183.0342 -108698.1006 300.5094 4.0396 28.3866 762249.4066 11.0402 11.0257 PRESSURE: 4950600 104.488 68.8539 -175.171 68.8532 -271.023 -230.493 -175.17 -230.492 159.691 GPRESSURE: 4950600 97.6006 -0.948322 -162.165 157.632 -215.031 -226.873 -37.0559 -190.495 191.624 PRESSAVG: 4950600 16.9326 -11.9375 22.9197 -11.9375 2.58623 -38.1583 22.9197 -38.1582 8.06911 GPRESSAVG: 4950600 16.4165 -16.3767 22.194 -12.2748 4.30059 -36.8536 25.888 -38.6527 7.29337 TIMING: 4950600 CPU: 15658.8, 0.00317783/step Wall: 15658.8, 0.00317783/step, 0.0436068 hours remaining, 236.460938 MB of memory in use. ENERGY: 4950600 4051.3452 20469.8869 14496.3159 221.0785 -203322.6422 2541.8282 0.0000 0.0000 52220.4223 -109321.7652 300.1115 -161542.1875 -108949.4945 300.1304 -2.2815 24.7312 761975.5984 9.1960 9.3368 PRESSURE: 4950800 -68.6983 65.188 165.519 65.1887 44.2767 -32.9112 165.519 -32.9107 -261.085 GPRESSURE: 4950800 -37.4991 118.687 162.145 53.9405 86.6691 -3.99482 153.204 -171.997 -252.395 PRESSAVG: 4950800 4.85174 -33.668 65.8766 -33.668 38.2992 -11.949 65.8766 -11.9491 5.15127 GPRESSAVG: 4950800 5.70605 -32.8295 65.4411 -32.9992 35.6178 -12.6999 63.5376 -11.7196 6.2463 TIMING: 4950800 CPU: 15659.5, 0.003175/step Wall: 15659.5, 0.003175/step, 0.0433917 hours remaining, 236.460938 MB of memory in use. ENERGY: 4950800 4034.1590 20599.7092 14438.1335 236.4641 -203561.6554 2701.4344 0.0000 0.0000 52322.1578 -109229.5974 300.6962 -161551.7552 -108866.6970 299.8546 -95.1689 -67.7417 762682.0196 16.1007 15.8567 PRESSURE: 4951000 -587.642 52.6716 -19.6431 52.6719 -258.712 -188.534 -19.6433 -188.535 -280.826 GPRESSURE: 4951000 -505.921 87.4186 -2.66508 69.0002 -224.198 -75.0862 -24.1431 -186.806 -314.818 PRESSAVG: 4951000 34.5727 -4.74348 1.47191 -4.74347 -59.4977 34.1258 1.47194 34.1259 2.6722 GPRESSAVG: 4951000 34.6255 -4.30267 0.666599 -5.29996 -59.4434 35.795 2.34192 33.2897 2.88889 TIMING: 4951000 CPU: 15660.1, 0.00318568/step Wall: 15660.1, 0.00318568/step, 0.0433607 hours remaining, 236.460938 MB of memory in use. ENERGY: 4951000 3988.6255 20682.6070 14443.1132 236.5120 -203241.4717 2485.5921 0.0000 0.0000 52149.4966 -109255.5253 299.7039 -161405.0219 -108889.4993 300.0235 -375.7270 -348.3123 764846.4155 -7.4176 -7.3097 PRESSURE: 4951200 58.6228 2.92682 151.69 2.92724 -441.558 -52.1972 151.691 -52.1968 -214.101 GPRESSURE: 4951200 -16.8483 -54.0651 212.703 -132.871 -241.432 -68.8591 55.9066 -7.22306 -265.626 PRESSAVG: 4951200 -7.42769 -31.7099 11.613 -31.7099 -34.6307 -52.3494 11.613 -52.3493 3.60885 GPRESSAVG: 4951200 -8.76676 -32.7916 11.3117 -33.1031 -32.3355 -53.9961 12.5374 -50.9273 2.21181 TIMING: 4951200 CPU: 15660.8, 0.00318101/step Wall: 15660.8, 0.00318101/step, 0.0431203 hours remaining, 236.460938 MB of memory in use. ENERGY: 4951200 4089.2413 20713.3935 14494.6465 235.5341 -203512.2186 2723.9004 0.0000 0.0000 52023.3594 -109232.1434 298.9790 -161255.5028 -108868.8051 299.6092 -199.0121 -174.6354 764881.6553 -12.8165 -12.9635 PRESSURE: 4951400 -323.331 126.131 116.504 126.131 -89.6757 85.1521 116.505 85.151 -145.255 GPRESSURE: 4951400 -271.095 108.401 76.3587 134.714 -62.8209 77.7577 21.1665 93.8506 -147.33 PRESSAVG: 4951400 -20.7556 3.6785 -1.93262 3.67849 36.9301 7.479 -1.93258 7.47895 1.8003 GPRESSAVG: 4951400 -20.3996 5.32587 -3.69628 3.69647 36.0994 7.25132 -2.94219 6.58341 2.1452 TIMING: 4951400 CPU: 15661.4, 0.00317932/step Wall: 15661.4, 0.00317932/step, 0.0429208 hours remaining, 236.460938 MB of memory in use. ENERGY: 4951400 4053.1975 20482.1808 14563.0268 233.3021 -203918.8508 2942.1101 0.0000 0.0000 52177.1210 -109467.9125 299.8626 -161645.0336 -109103.9737 299.4184 -186.0871 -160.4154 763732.3241 5.9916 5.9483 PRESSURE: 4951600 -85.3017 23.6698 -51.0109 23.6707 -25.2308 -45.4869 -51.0106 -45.487 -340.34 GPRESSURE: 4951600 6.59098 21.1784 -84.3892 89.6669 -90.891 -11.5998 98.4385 -112.589 -283.434 PRESSAVG: 4951600 -25.5074 8.30047 37.737 8.30042 0.0198643 37.6353 37.737 37.6353 28.1518 GPRESSAVG: 4951600 -25.6769 6.45079 39.8029 10.8441 -0.969529 38.457 38.4644 39.27 29.3879 TIMING: 4951600 CPU: 15662, 0.00316281/step Wall: 15662, 0.00316281/step, 0.0425222 hours remaining, 236.460938 MB of memory in use. ENERGY: 4951600 4021.6103 20531.2358 14559.2372 251.1621 -203560.4659 2815.5033 0.0000 0.0000 52224.8148 -109156.9025 300.1367 -161381.7172 -108787.0265 299.5876 -150.2908 -122.5780 762679.8871 0.8881 0.9138 PRESSURE: 4951800 -51.102 269.313 -153.861 269.313 -19.2911 59.2662 -153.86 59.2658 -235.074 GPRESSURE: 4951800 -28.9608 118.733 -90.5585 188.87 51.5709 68.8516 -152.154 -6.81256 -226.75 PRESSAVG: 4951800 1.60779 0.188567 19.5242 0.188587 -6.03772 -13.5588 19.5242 -13.5588 -3.36377 GPRESSAVG: 4951800 1.28775 -0.0917636 21.0526 -1.7649 -5.71633 -13.2995 18.9841 -14.0756 -3.74269 TIMING: 4951800 CPU: 15662.7, 0.00316501/step Wall: 15662.7, 0.00316501/step, 0.042376 hours remaining, 236.460938 MB of memory in use. ENERGY: 4951800 4065.3411 20543.0039 14526.2481 236.8705 -203336.0963 2549.9217 0.0000 0.0000 52118.9786 -109295.7325 299.5285 -161414.7110 -108937.0952 299.9372 -101.8225 -68.0466 762461.6747 -2.5979 -2.7238 PRESSURE: 4952000 169.371 -63.0023 -34.3953 -63.0018 -70.1571 -63.3441 -34.3956 -63.3432 6.93541 GPRESSURE: 4952000 228.87 -40.5679 -62.1248 -16.1995 50.2248 -84.7188 -121.555 -142.115 -80.9511 PRESSAVG: 4952000 -7.29485 32.5703 8.26793 32.5703 9.6502 9.33521 8.26795 9.33537 12.0258 GPRESSAVG: 4952000 -6.93148 31.9714 5.10903 33.0076 8.98329 9.16254 7.11712 9.05908 12.2219 TIMING: 4952000 CPU: 15663.3, 0.00316003/step Wall: 15663.3, 0.00316003/step, 0.0421338 hours remaining, 236.460938 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: 4952000 3993.3411 20504.1825 14506.9826 259.6098 -203159.9847 2683.2991 0.0000 0.0000 51798.3604 -109414.2092 297.6859 -161212.5695 -109051.5674 299.5464 35.3830 66.0481 762372.7706 4.7937 4.7579 PRESSURE: 4952200 157.705 -92.5103 134.604 -92.5108 -88.647 29.3176 134.604 29.3178 261.565 GPRESSURE: 4952200 117.394 -178.527 120.634 -86.5125 40.5802 -37.9003 165.713 -161.036 241.823 PRESSAVG: 4952200 79.2722 -51.3458 -34.1237 -51.3458 -64.8614 22.0807 -34.1237 22.0807 -4.25877 GPRESSAVG: 4952200 79.3145 -51.6634 -32.347 -50.2191 -64.6158 22.3918 -32.3971 20.2312 -4.44466 TIMING: 4952200 CPU: 15663.9, 0.00316942/step Wall: 15663.9, 0.00316942/step, 0.0420828 hours remaining, 236.460938 MB of memory in use. ENERGY: 4952200 4027.6705 20582.5618 14502.3324 246.3693 -203514.2085 2667.0810 0.0000 0.0000 52042.2002 -109445.9934 299.0872 -161488.1936 -109091.3671 299.2376 110.2077 133.2658 762321.5597 3.3840 3.4180 LDB: ============= START OF LOAD BALANCING ============== 15676.5 LDB: ============== END OF LOAD BALANCING =============== 15676.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15676.5 LDB: ============= START OF LOAD BALANCING ============== 15676.8 LDB: Largest compute 7056 load 0.036190 is 18.5% of average load 0.195670 LDB: Average compute 0.004357 is 2.2% of average load 0.195670 LDB: TIME 15676.8 LOAD: AVG 0.19567 MAX 0.216188 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.422 MB LDB: TIME 15676.8 LOAD: AVG 0.19567 MAX 0.216188 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.422 MB LDB: TIME 15676.8 LOAD: AVG 0.19567 MAX 0.216188 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.422 MB LDB: ============== END OF LOAD BALANCING =============== 15676.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15676.8 PRESSURE: 4952400 26.1697 -222.11 89.1306 -222.11 -198.693 -56.369 89.1304 -56.3688 -12.4314 GPRESSURE: 4952400 51.2735 -288.552 52.5841 -186.438 -185.964 -12.5858 41.6845 48.1855 39.3819 PRESSAVG: 4952400 65.2266 -31.2594 27.9364 -31.2594 -23.2884 -50.9326 27.9364 -50.9326 -3.72485 GPRESSAVG: 4952400 65.9423 -28.051 27.5534 -31.9251 -23.176 -50.5801 28.8679 -51.1967 -4.0135 TIMING: 4952400 CPU: 15664.6, 0.00324662/step Wall: 15664.6, 0.00324662/step, 0.0429275 hours remaining, 235.316406 MB of memory in use. ENERGY: 4952400 3995.2461 20690.4132 14448.0440 254.0384 -203458.5034 2631.5250 0.0000 0.0000 52271.8811 -109167.3557 300.4072 -161439.2367 -108803.5048 299.3883 -61.6516 -31.7697 762745.1117 12.7378 12.9176 PRESSURE: 4952600 -66.2104 70.0685 39.9461 70.0691 -423.12 40.0342 39.9461 40.0342 -190.473 GPRESSURE: 4952600 -39.2244 -31.6312 -53.2902 57.9548 -311.034 68.3522 -19.9902 -3.73823 -249.768 PRESSAVG: 4952600 55.0851 27.2553 67.6287 27.2553 -29.4434 37.8091 67.6286 37.8091 3.04412 GPRESSAVG: 4952600 54.7128 26.3524 67.7276 25.3615 -28.7742 36.9729 64.4383 41.5649 2.77568 TIMING: 4952600 CPU: 15665.2, 0.0031597/step Wall: 15665.2, 0.0031597/step, 0.0416027 hours remaining, 235.761719 MB of memory in use. ENERGY: 4952600 4023.8435 20474.8927 14508.8120 265.2363 -202885.5028 2395.5922 0.0000 0.0000 52004.9055 -109212.2207 298.8729 -161217.1261 -108855.3064 299.9987 -226.6011 -200.0090 763997.2423 9.5619 9.5714 PRESSURE: 4952800 555.05 -227.731 96.3298 -227.731 20.6987 83.8701 96.3298 83.8705 -116.362 GPRESSURE: 4952800 556.49 -227.223 133.538 -68.8935 53.4017 139.43 258.112 71.1478 -64.4197 PRESSAVG: 4952800 12.6587 -6.07485 -7.11887 -6.07488 -36.3655 32.3425 -7.1189 32.3426 12.9742 GPRESSAVG: 4952800 11.617 -5.57836 -6.93827 -4.02205 -36.8601 32.1922 -6.31792 30.7524 14.5704 TIMING: 4952800 CPU: 15665.8, 0.00318242/step Wall: 15665.8, 0.00318242/step, 0.0417251 hours remaining, 235.761719 MB of memory in use. ENERGY: 4952800 4098.9939 20474.6485 14529.4008 243.8441 -203649.9486 3023.0587 0.0000 0.0000 52125.0845 -109154.9181 299.5636 -161280.0026 -108797.7183 299.8194 153.1290 181.8241 760457.9075 -3.5775 -3.5576 PRESSURE: 4953000 -147.678 288.276 -19.7898 288.276 -301.785 95.3881 -19.7887 95.39 53.1006 GPRESSURE: 4953000 -90.3739 170.872 -2.77326 245.176 -274.993 18.1751 97.4647 6.45377 42.3859 PRESSAVG: 4953000 -5.13253 17.7373 -14.6879 17.7373 -1.94456 4.34296 -14.6878 4.34282 -26.0549 GPRESSAVG: 4953000 -3.60711 16.3145 -14.6151 18.6386 -1.83576 3.48021 -12.7241 3.3719 -27.3521 TIMING: 4953000 CPU: 15666.5, 0.00318972/step Wall: 15666.5, 0.00318972/step, 0.0416435 hours remaining, 235.761719 MB of memory in use. ENERGY: 4953000 4060.4914 20671.4850 14478.6220 257.4617 -203391.3108 2619.6993 0.0000 0.0000 52149.3777 -109154.1738 299.7032 -161303.5515 -108792.0552 300.0236 -132.1207 -107.6604 763878.4898 -11.0440 -10.9316 PRESSURE: 4953200 -110.167 -85.062 -334.827 -85.062 -2.04372 -67.9833 -334.827 -67.9848 -184.493 GPRESSURE: 4953200 -118.075 -135.141 -333.2 -109.707 35.3402 -93.9639 -287.018 -29.2563 -135.75 PRESSAVG: 4953200 -19.6898 -19.0232 -6.18312 -19.0232 24.8411 -17.8176 -6.18302 -17.8175 2.57258 GPRESSAVG: 4953200 -21.0565 -18.3199 -5.93277 -20.1202 24.4541 -17.091 -8.97686 -18.523 4.12521 TIMING: 4953200 CPU: 15667.1, 0.00321022/step Wall: 15667.1, 0.00321022/step, 0.0417328 hours remaining, 235.761719 MB of memory in use. ENERGY: 4953200 4056.6939 20587.7524 14490.3958 251.1273 -203389.1755 2766.0573 0.0000 0.0000 52131.4650 -109105.6839 299.6002 -161237.1488 -108738.5355 300.0476 -98.9015 -72.8283 761266.8429 2.5746 2.5076 PRESSURE: 4953400 -9.19297 81.0989 146.104 81.0989 -206.75 241.725 146.105 241.724 -143.672 GPRESSURE: 4953400 43.0818 84.4415 99.6357 104.254 -178.379 261.022 337.791 279.716 -156.611 PRESSAVG: 4953400 29.8943 -23.487 -3.07013 -23.487 -30.9466 32.8707 -3.07013 32.8706 25.0274 GPRESSAVG: 4953400 30.9523 -22.449 -5.09566 -23.9979 -30.8666 33.2611 -1.97251 33.8347 24.4206 TIMING: 4953400 CPU: 15667.8, 0.00318227/step Wall: 15667.8, 0.00318227/step, 0.0411927 hours remaining, 235.964844 MB of memory in use. ENERGY: 4953400 3946.3453 20836.6327 14493.2778 241.4199 -203233.0331 2597.2653 0.0000 0.0000 51965.4533 -109152.6389 298.6462 -161118.0921 -108789.4157 300.1937 -119.8716 -97.3030 761835.7823 7.9917 8.1688 PRESSURE: 4953600 -221.075 116.799 -28.2321 116.8 -620.274 -130.93 -28.2322 -130.93 -337.046 GPRESSURE: 4953600 -223.383 271.565 -42.76 144.033 -510.114 -135.616 -2.95684 79.8596 -355.327 PRESSAVG: 4953600 15.1943 -35.9183 -40.3719 -35.9183 -36.2903 22.5603 -40.3718 22.5603 -13.1645 GPRESSAVG: 4953600 14.1482 -35.3372 -40.0426 -35.3496 -35.8227 22.1714 -40.4886 22.9218 -12.5781 TIMING: 4953600 CPU: 15668.4, 0.00315329/step Wall: 15668.4, 0.00315329/step, 0.0406424 hours remaining, 235.964844 MB of memory in use. ENERGY: 4953600 4073.9705 20620.9856 14527.3374 250.7277 -202787.8097 2244.9452 0.0000 0.0000 51906.4041 -109163.4392 298.3068 -161069.8433 -108803.4109 299.4704 -392.7982 -362.9414 764848.9553 -11.4202 -11.4176 PRESSURE: 4953800 47.9845 -1.77882 -132.362 -1.77859 96.102 81.3477 -132.362 81.3468 72.1006 GPRESSURE: 4953800 129.998 -2.12506 -140.557 67.2523 27.4093 99.1094 -173.696 -40.1174 143.913 PRESSAVG: 4953800 -16.868 -15.1332 7.41424 -15.1332 -3.39092 17.5252 7.4142 17.5252 -12.0362 GPRESSAVG: 4953800 -15.7354 -17.9913 9.40626 -16.6744 -3.79035 17.8382 5.11692 17.1171 -13.0028 TIMING: 4953800 CPU: 15669, 0.00316695/step Wall: 15669, 0.00316695/step, 0.0406426 hours remaining, 236.167969 MB of memory in use. ENERGY: 4953800 4018.8722 20447.1226 14475.0256 275.4233 -203486.5259 2968.9594 0.0000 0.0000 52078.0419 -109223.0808 299.2932 -161301.1227 -108861.8590 299.7867 72.0624 100.4401 761884.3056 -10.7650 -10.8428 PRESSURE: 4954000 184.801 124.702 127.232 124.702 370.68 -46.1056 127.231 -46.1063 -57.707 GPRESSURE: 4954000 207.727 151.862 48.7928 95.3843 406.244 -17.9992 118.142 -108.876 -45.7265 PRESSAVG: 4954000 12.1073 5.227 -2.86644 5.22702 5.23992 4.23035 -2.8664 4.23033 -18.4411 GPRESSAVG: 4954000 12.0828 6.08679 -3.87484 5.03809 4.94064 3.0762 -1.75702 5.52163 -17.826 TIMING: 4954000 CPU: 15669.7, 0.00317642/step Wall: 15669.7, 0.00317642/step, 0.0405876 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: 4954000 4042.2062 20319.7860 14540.7771 239.9488 -203594.8652 3060.2030 0.0000 0.0000 52307.1056 -109084.8385 300.6097 -161391.9441 -108731.0495 299.8976 165.9246 189.4147 760311.0332 -0.3646 -0.2675 PRESSURE: 4954200 -71.9015 -153.538 -158.614 -153.539 -77.9965 173.477 -158.614 173.478 -251.597 GPRESSURE: 4954200 -98.3549 -140.004 -139.629 -93.3406 -82.1621 157.264 -87.5178 145.505 -139.308 PRESSAVG: 4954200 -3.95506 68.8629 -9.06802 68.8628 5.55501 9.54805 -9.06807 9.54798 0.73642 GPRESSAVG: 4954200 -3.57794 70.7934 -8.24454 70.6471 5.30263 11.3228 -8.09563 8.21844 0.75762 TIMING: 4954200 CPU: 15670.3, 0.00317827/step Wall: 15670.3, 0.00317827/step, 0.0404347 hours remaining, 236.167969 MB of memory in use. ENERGY: 4954200 4002.4916 20532.5210 14501.6481 231.9753 -203201.1671 2762.2454 0.0000 0.0000 52143.3992 -109026.8866 299.6688 -161170.2858 -108659.4351 299.6909 -133.8317 -106.6083 763026.4377 0.7788 0.8274 PRESSURE: 4954400 -17.2274 -69.9298 -65.711 -69.9307 282.531 -172.596 -65.7106 -172.596 267.362 GPRESSURE: 4954400 115.84 -81.3773 -58.8252 29.0518 217.712 -173.135 -100.511 -250.203 290.208 PRESSAVG: 4954400 -7.25404 5.43744 16.0787 5.43747 21.9988 -0.0330174 16.0787 -0.0330612 34.655 GPRESSAVG: 4954400 -7.32485 5.61997 15.8578 3.48676 21.2001 -0.0532006 15.6336 -0.887566 34.9217 TIMING: 4954400 CPU: 15670.9, 0.00319558/step Wall: 15670.9, 0.00319558/step, 0.0404773 hours remaining, 236.167969 MB of memory in use. ENERGY: 4954400 4034.8661 20809.7238 14431.2866 245.9159 -203313.3382 2864.2251 0.0000 0.0000 52007.6541 -108919.6666 298.8887 -160927.3207 -108566.6708 300.2725 177.5553 207.9199 761462.4726 16.4666 16.2656 PRESSURE: 4954600 138.314 120.101 136.377 120.101 -214.225 -94.2801 136.377 -94.2802 -362.812 GPRESSURE: 4954600 205.878 63.4648 143.507 -36.294 -151.349 -73.7424 206.932 -184.161 -400.837 PRESSAVG: 4954600 -0.0851412 -23.1481 15.8297 -23.148 -19.8796 -42.4843 15.8297 -42.4843 -0.813838 GPRESSAVG: 4954600 0.926112 -26.2909 15.8824 -22.7938 -19.638 -42.2731 13.9556 -41.1112 -2.23887 TIMING: 4954600 CPU: 15671.6, 0.00316825/step Wall: 15671.6, 0.00316825/step, 0.0399552 hours remaining, 236.167969 MB of memory in use. ENERGY: 4954600 3979.8070 20461.7508 14501.5534 256.6953 -203109.7482 2554.6458 0.0000 0.0000 52454.6103 -108900.6856 301.4574 -161355.2958 -108534.0919 300.1973 -146.2409 -115.4357 760445.9095 -6.9262 -6.9836 PRESSURE: 4954800 -204.363 12.7192 114.476 12.7193 169.135 275.022 114.475 275.023 -357.729 GPRESSURE: 4954800 -135.62 101.966 70.5194 -50.4002 152.517 182.752 151.532 285.668 -340.425 PRESSAVG: 4954800 15.7625 -3.75258 1.12894 -3.75264 0.297821 -7.57161 1.129 -7.57165 9.97284 GPRESSAVG: 4954800 14.7533 -1.51227 -0.470168 -4.01418 0.839606 -6.79235 3.47098 -8.28904 10.5068 TIMING: 4954800 CPU: 15672.2, 0.00317464/step Wall: 15672.2, 0.00317464/step, 0.0398594 hours remaining, 236.167969 MB of memory in use. ENERGY: 4954800 3909.6696 20546.4460 14539.2498 254.2950 -203089.4312 2709.6823 0.0000 0.0000 52382.1346 -108747.9538 301.0408 -161130.0884 -108383.7833 301.0971 -130.9858 -107.8427 761596.2143 8.6777 8.6999 PRESSURE: 4955000 -183.399 -304.02 -100.296 -304.02 -63.7193 62.212 -100.296 62.2122 -234.283 GPRESSURE: 4955000 -181.395 -148.525 -25.6924 -374.549 -38.7586 67.7928 -72.3198 159.074 -183.412 PRESSAVG: 4955000 -1.45021 -49.4184 26.1025 -49.4184 -42.4728 59.7645 26.1025 59.7645 -5.47676 GPRESSAVG: 4955000 0.0052029 -47.898 27.4629 -49.2915 -43.6817 58.1781 25.5368 61.0566 -5.28691 TIMING: 4955000 CPU: 15672.8, 0.00316792/step Wall: 15672.8, 0.00316792/step, 0.039599 hours remaining, 236.167969 MB of memory in use. ENERGY: 4955000 3986.5843 20674.6583 14594.6580 241.6082 -203185.0041 2597.5483 0.0000 0.0000 52092.4470 -108997.5001 299.3760 -161089.9470 -108642.1862 300.6548 -160.4670 -134.5221 762053.9793 -16.4666 -16.3211 PRESSURE: 4955200 211.006 -170.41 -143.166 -170.41 51.5206 -120.841 -143.166 -120.843 -199.425 GPRESSURE: 4955200 203.197 -60.4415 -152.648 -289.882 128.069 -81.151 -96.8618 -71.7977 -186.556 PRESSAVG: 4955200 43.8752 -41.0422 -47.1619 -41.0422 -6.33348 0.740961 -47.1619 0.740949 -20.6965 GPRESSAVG: 4955200 42.1563 -44.6317 -48.7812 -40.661 -4.35006 0.15078 -45.7638 1.3556 -20.8842 TIMING: 4955200 CPU: 15673.5, 0.00316493/step Wall: 15673.5, 0.00316493/step, 0.0393858 hours remaining, 236.167969 MB of memory in use. ENERGY: 4955200 3958.7997 20382.2273 14552.8515 252.9700 -203197.1311 2621.3563 0.0000 0.0000 52312.8212 -109116.1050 300.6425 -161428.9262 -108746.8022 299.8303 21.0337 48.2365 762107.8218 5.6151 5.6407 PRESSURE: 4955400 -159.949 -219.458 298.566 -219.457 57.218 12.388 298.566 12.3877 -89.5706 GPRESSURE: 4955400 -138.934 -65.3826 332.78 -78.0637 57.4528 17.7797 79.0731 39.476 -43.8966 PRESSAVG: 4955400 -43.589 -18.5473 -10.7096 -18.5473 -6.20609 16.6562 -10.7096 16.6562 13.7076 GPRESSAVG: 4955400 -42.6753 -16.1415 -9.50117 -18.2934 -6.23153 18.8048 -14.3566 15.3794 12.4738 TIMING: 4955400 CPU: 15674.1, 0.00316211/step Wall: 15674.1, 0.00316211/step, 0.039175 hours remaining, 236.167969 MB of memory in use. ENERGY: 4955400 3979.2313 20582.8883 14570.5158 250.7750 -203031.4481 2631.8425 0.0000 0.0000 51870.2014 -109145.9939 298.0988 -161016.1952 -108774.7798 299.1522 -64.1006 -41.7928 762058.2444 -12.0292 -12.1443 PRESSURE: 4955600 112.146 87.5512 -141.75 87.551 -157.404 162.542 -141.75 162.542 62.6652 GPRESSURE: 4955600 141.822 98.7683 -195.65 29.5688 -133.964 62.3742 -55.9636 204.898 116.864 PRESSAVG: 4955600 -38.48 -7.77863 -22.4861 -7.77864 73.2802 28.1088 -22.4862 28.1089 22.1457 GPRESSAVG: 4955600 -40.1955 -8.80131 -23.9892 -5.5101 73.4101 26.7825 -22.4282 27.5397 24.1368 TIMING: 4955600 CPU: 15674.7, 0.00318153/step Wall: 15674.7, 0.00318153/step, 0.0392389 hours remaining, 236.167969 MB of memory in use. ENERGY: 4955600 4045.6069 20532.2298 14539.2762 245.4876 -203422.9193 2758.8478 0.0000 0.0000 52158.9374 -109142.5336 299.7581 -161301.4710 -108784.8557 299.9098 5.8024 41.5741 761585.9596 18.9819 19.1171 PRESSURE: 4955800 279.512 36.1749 163.503 36.1744 127.146 73.0183 163.503 73.0181 414.057 GPRESSURE: 4955800 356.524 58.7107 213.956 -152.568 197.343 29.1008 66.6638 154.72 377.766 PRESSAVG: 4955800 29.0531 -15.1319 -35.4 -15.1319 -3.21848 14.4427 -35.4 14.4428 -14.668 GPRESSAVG: 4955800 29.922 -17.1476 -33.8374 -18.1451 -3.65584 15.1868 -34.6383 13.6568 -15.4587 TIMING: 4955800 CPU: 15675.4, 0.00317357/step Wall: 15675.4, 0.00317357/step, 0.0389644 hours remaining, 236.167969 MB of memory in use. ENERGY: 4955800 3949.7728 20464.6248 14429.8427 246.1450 -203523.7628 2832.8024 0.0000 0.0000 52296.5497 -109304.0253 300.5490 -161600.5751 -108949.4390 299.6814 273.5719 310.5443 759462.2746 3.7222 3.6025 PRESSURE: 4956000 133.283 -108.872 121.151 -108.872 249.261 114.06 121.151 114.061 12.3432 GPRESSURE: 4956000 229.544 -206.091 41.3787 -0.0659456 193.526 122.348 -80.4625 93.2985 56.7903 PRESSAVG: 4956000 2.92895 -9.35553 3.40108 -9.35552 17.3421 -92.1521 3.40107 -92.1523 6.24229 GPRESSAVG: 4956000 3.59041 -6.98438 3.3265 -8.85323 16.7089 -91.2823 1.8955 -90.1372 6.10774 TIMING: 4956000 CPU: 15676, 0.00316903/step Wall: 15676, 0.00316903/step, 0.0387326 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: 4956000 4020.0762 20386.7660 14458.8719 232.9166 -203136.2108 2530.0060 0.0000 0.0000 52106.2633 -109401.3108 299.4554 -161507.5741 -109042.7101 298.9068 131.6289 159.9536 761933.8933 8.8378 8.8024 PRESSURE: 4956200 167.201 -279.968 -44.9556 -279.969 60.2668 -1.50105 -44.9556 -1.50001 -24.8947 GPRESSURE: 4956200 177.35 -170.18 -32.7718 -331.025 45.4175 82.5022 -128.765 2.71648 75.579 PRESSAVG: 4956200 -66.459 -80.4838 -43.4762 -80.4838 37.1538 -46.1953 -43.4763 -46.1953 18.8812 GPRESSAVG: 4956200 -66.7788 -80.4693 -43.0994 -81.9627 38.399 -46.3605 -42.2408 -48.2297 17.9643 TIMING: 4956200 CPU: 15676.6, 0.00318753/step Wall: 15676.6, 0.00318753/step, 0.0387816 hours remaining, 236.167969 MB of memory in use. ENERGY: 4956200 3929.5293 20301.8305 14574.5138 234.2912 -203084.7786 2496.2310 0.0000 0.0000 52151.6760 -109396.7068 299.7164 -161548.3828 -109033.6408 299.7218 67.5244 99.4488 761508.1415 -3.4746 -3.4718 LDB: ============= START OF LOAD BALANCING ============== 15689.2 LDB: ============== END OF LOAD BALANCING =============== 15689.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15689.2 LDB: ============= START OF LOAD BALANCING ============== 15689.5 LDB: Largest compute 7056 load 0.035064 is 17.9% of average load 0.195680 LDB: Average compute 0.004383 is 2.2% of average load 0.195680 LDB: TIME 15689.5 LOAD: AVG 0.19568 MAX 0.216638 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.367 MB LDB: TIME 15689.5 LOAD: AVG 0.19568 MAX 0.216638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: TIME 15689.5 LOAD: AVG 0.19568 MAX 0.216638 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.57 MB LDB: ============== END OF LOAD BALANCING =============== 15689.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 15689.5 Info: useSync: 0 useProxySync: 0 PRESSURE: 4956400 -79.629 -101.504 -57.416 -101.504 200.664 -123.765 -57.4159 -123.764 170.694 GPRESSURE: 4956400 -8.01618 -25.1928 -90.1886 -147.209 219.021 -129.964 -39.8705 -127.952 174.534 PRESSAVG: 4956400 -38.4644 -89.9006 -27.7985 -89.9006 26.9582 8.27604 -27.7986 8.27595 -11.7152 GPRESSAVG: 4956400 -37.7892 -91.8921 -26.7602 -89.6993 25.9489 6.3699 -27.0016 11.2688 -11.4816 TIMING: 4956400 CPU: 15677.3, 0.00325815/step Wall: 15677.3, 0.00325815/step, 0.0394598 hours remaining, 236.183594 MB of memory in use. ENERGY: 4956400 3932.1542 20519.4304 14586.3645 231.5721 -203189.5082 2483.9662 0.0000 0.0000 51796.9808 -109639.0399 297.6780 -161436.0207 -109276.4147 298.6393 97.2430 128.5131 761757.5990 -7.7405 -7.7740 PRESSURE: 4956600 412.225 6.72189 -45.6051 6.72128 326.056 9.01277 -45.6043 9.01378 105.987 GPRESSURE: 4956600 406.7 -33.2774 -37.8554 60.2678 390.893 -37.852 -39.7366 -180.926 152.047 PRESSAVG: 4956600 -9.79617 -59.8139 -0.472253 -59.8139 16.1445 23.3826 -0.472267 23.3826 -19.3228 GPRESSAVG: 4956600 -9.95731 -59.9172 -2.98612 -58.4408 16.651 24.8108 0.648126 21.5543 -18.9795 TIMING: 4956600 CPU: 15677.9, 0.00317438/step Wall: 15677.9, 0.00317438/step, 0.0382689 hours remaining, 236.253906 MB of memory in use. ENERGY: 4956600 3961.8609 20499.4108 14485.8287 249.5900 -203326.7509 2622.7763 0.0000 0.0000 51828.7160 -109678.5681 297.8603 -161507.2841 -109317.7580 299.0941 281.4226 316.5466 760553.2615 -4.3248 -4.0953 PRESSURE: 4956800 -352.087 -252.957 -135.832 -252.957 -92.6331 -98.4089 -135.832 -98.409 353.897 GPRESSURE: 4956800 -295.477 -133.447 -32.2397 -386.966 -102.285 -105.621 -137.599 -72.5872 376.295 PRESSAVG: 4956800 18.6904 -1.83718 -17.3929 -1.83722 5.85182 11.2129 -17.3929 11.213 32.438 GPRESSAVG: 4956800 18.197 0.17197 -15.8459 -4.01125 6.04817 10.9703 -16.9269 12.5308 32.6744 TIMING: 4956800 CPU: 15678.6, 0.00319085/step Wall: 15678.6, 0.00319085/step, 0.0382903 hours remaining, 236.253906 MB of memory in use. ENERGY: 4956800 3915.9761 20505.4636 14468.1625 250.2943 -203055.2683 2346.0687 0.0000 0.0000 51960.2881 -109609.0150 298.6165 -161569.3031 -109252.7082 298.9387 -30.2743 -7.1556 761229.5093 18.9934 18.9732 PRESSURE: 4957000 221.602 -85.8356 93.5835 -85.835 -178.815 -119.714 93.584 -119.713 245.078 GPRESSURE: 4957000 281.742 -139.088 70.2287 -135.601 -151.928 -95.6988 -25.3532 99.2472 251.782 PRESSAVG: 4957000 -43.0644 -41.9427 -16.9096 -41.9427 21.6449 31.5142 -16.9096 31.5143 4.4228 GPRESSAVG: 4957000 -43.6167 -40.7983 -17.5648 -41.7385 21.433 34.0443 -16.8098 32.8972 5.5406 TIMING: 4957000 CPU: 15679.2, 0.00318436/step Wall: 15679.2, 0.00318436/step, 0.0380354 hours remaining, 236.253906 MB of memory in use. ENERGY: 4957000 3840.9304 20435.5087 14466.5057 254.0939 -203481.4985 2780.4952 0.0000 0.0000 51927.2053 -109776.7594 298.4264 -161703.9647 -109413.9172 297.9596 95.9547 127.1988 759911.4516 -5.6656 -5.5477 PRESSURE: 4957200 -74.2123 -135.567 192.235 -135.567 -221.779 124.616 192.235 124.617 163.649 GPRESSURE: 4957200 -39.2793 -80.2176 212.988 -280.372 -190.7 47.8606 194.901 172.472 175.318 PRESSAVG: 4957200 37.7969 29.3962 -19.409 29.3962 -57.6048 -21.9811 -19.4091 -21.9811 15.845 GPRESSAVG: 4957200 38.7164 28.1849 -19.2499 31.2126 -56.5682 -24.0681 -21.8732 -25.3287 14.0057 TIMING: 4957200 CPU: 15679.8, 0.00317799/step Wall: 15679.8, 0.00317799/step, 0.0377827 hours remaining, 236.253906 MB of memory in use. ENERGY: 4957200 3975.7483 20475.9288 14578.9807 249.3878 -203292.4718 2618.1562 0.0000 0.0000 51971.9637 -109422.3063 298.6836 -161394.2701 -109065.2752 298.2349 -44.1143 -18.2204 761148.4711 -1.3209 -1.2820 PRESSURE: 4957400 -93.7562 174.586 -242.336 174.586 -370.634 10.2988 -242.335 10.2984 -225.01 GPRESSURE: 4957400 -172.32 89.2181 -197.671 125.931 -288.479 97.6157 -245.856 6.03258 -153.326 PRESSAVG: 4957400 23.8897 -16.9247 -41.3911 -16.9248 -28.9046 -14.3409 -41.3911 -14.3409 5.89756 GPRESSAVG: 4957400 25.0022 -16.1775 -41.0903 -18.0527 -30.1642 -13.428 -41.3354 -14.547 6.13098 TIMING: 4957400 CPU: 15680.5, 0.00315625/step Wall: 15680.5, 0.00315625/step, 0.037349 hours remaining, 236.253906 MB of memory in use. ENERGY: 4957400 4022.5079 20334.9921 14493.7814 245.2410 -203078.1111 2508.6667 0.0000 0.0000 51961.9493 -109510.9728 298.6260 -161472.9221 -109145.4598 298.6447 -229.8000 -204.7084 762430.1661 0.2942 0.3230 PRESSURE: 4957600 72.9452 60.7519 -64.2911 60.7522 -197.987 -8.73978 -64.2913 -8.74141 -182.455 GPRESSURE: 4957600 139.441 74.0289 -88.4688 72.8284 -215.242 -67.1618 -10.1207 -22.5217 -140.269 PRESSAVG: 4957600 -17.0233 -19.3372 9.99623 -19.3372 1.05815 9.65866 9.99627 9.65871 4.32525 GPRESSAVG: 4957600 -16.7538 -19.2994 10.2061 -18.5566 1.26355 10.3741 9.75755 9.16519 4.34665 TIMING: 4957600 CPU: 15681.1, 0.00316394/step Wall: 15681.1, 0.00316394/step, 0.0372642 hours remaining, 236.253906 MB of memory in use. ENERGY: 4957600 3952.5102 20476.0658 14470.2093 245.5234 -203071.0274 2453.5384 0.0000 0.0000 52008.0167 -109465.1636 298.8908 -161473.1802 -109097.3411 299.0733 -102.4990 -72.0234 761518.2516 -3.8800 -3.7145 PRESSURE: 4957800 -36.6172 20.6167 323.59 20.6158 47.9163 54.7933 323.59 54.7936 4.48866 GPRESSURE: 4957800 -71.2101 -71.0025 298.593 -149.177 138.118 97.6823 298.81 53.6984 35.5984 PRESSAVG: 4957800 -46.2588 -20.3621 53.1456 -20.362 28.0098 4.37418 53.1456 4.37422 -12.1422 GPRESSAVG: 4957800 -47.9695 -20.3606 51.71 -21.4989 28.151 1.91901 55.5637 5.86206 -10.6801 TIMING: 4957800 CPU: 15681.7, 0.00316041/step Wall: 15681.7, 0.00316041/step, 0.037047 hours remaining, 236.253906 MB of memory in use. ENERGY: 4957800 3999.2237 20369.2282 14455.1557 259.8004 -203591.7126 2693.2922 0.0000 0.0000 52172.1544 -109642.8581 299.8341 -161815.0125 -109279.6695 298.5305 5.2626 34.1688 761884.8502 -10.1304 -10.1662 PRESSURE: 4958000 -148.081 -206.533 61.782 -206.533 -87.2241 12.248 61.782 12.2472 -149.533 GPRESSURE: 4958000 -172.202 -139.916 88.3923 -66.5182 -18.4228 -11.2702 82.9943 95.5153 -108.19 PRESSAVG: 4958000 27.6982 -11.2667 -31.6388 -11.2667 -43.7671 69.249 -31.6388 69.2491 7.08506 GPRESSAVG: 4958000 27.9296 -12.1213 -30.6381 -10.3479 -43.775 69.9316 -33.3562 69.2533 7.05531 TIMING: 4958000 CPU: 15682.4, 0.00316344/step Wall: 15682.4, 0.00316344/step, 0.0369069 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: 4958000 3953.0624 20315.9709 14424.9378 243.7648 -203338.3436 2543.8324 0.0000 0.0000 52179.1334 -109677.6419 299.8742 -161856.7753 -109314.6383 298.5629 -128.2794 -99.6047 763017.8173 -2.9946 -2.9300 PRESSURE: 4958200 -170.233 -32.2944 -67.0001 -32.294 48.5169 223.548 -67 223.547 13.589 GPRESSURE: 4958200 -196.655 -30.0272 1.64199 88.4336 211.541 205.202 -105.53 8.65294 -17.4965 PRESSAVG: 4958200 -4.38535 33.699 -26.5732 33.6991 22.9205 33.6126 -26.5733 33.6127 -9.12821 GPRESSAVG: 4958200 -4.87585 35.0475 -26.3354 33.7589 24.3082 33.5351 -27.8456 33.0174 -10.4242 TIMING: 4958200 CPU: 15683, 0.00317796/step Wall: 15683, 0.00317796/step, 0.0368997 hours remaining, 236.253906 MB of memory in use. ENERGY: 4958200 4008.0025 20285.4518 14502.8254 242.3709 -203454.8713 2653.4098 0.0000 0.0000 51925.2222 -109837.5887 298.4150 -161762.8109 -109465.0204 298.1974 -36.0425 -0.8701 761550.7788 3.1356 3.0027 PRESSURE: 4958400 109.419 -137.486 -24.9204 -137.485 -227.133 179.833 -24.9195 179.832 385.144 GPRESSURE: 4958400 193.499 -122.308 10.3703 -20.2379 -193.909 155.547 -57.4226 117.213 334.04 PRESSAVG: 4958400 42.6175 4.31576 -0.918705 4.31575 5.22595 34.4686 -0.918708 34.4687 0.801413 GPRESSAVG: 4958400 43.6705 4.45888 -1.58516 4.17382 3.68706 35.4704 -1.55405 33.1271 1.39584 TIMING: 4958400 CPU: 15683.6, 0.00317564/step Wall: 15683.6, 0.00317564/step, 0.0366963 hours remaining, 236.253906 MB of memory in use. ENERGY: 4958400 3953.2833 20323.7496 14551.1461 246.8230 -202924.0038 2212.9432 0.0000 0.0000 51946.2615 -109689.7971 298.5359 -161636.0587 -109326.5533 298.6529 89.1434 111.2101 759737.2750 16.2149 16.2511 PRESSURE: 4958600 225.243 -122.406 -27.0535 -122.405 -249.037 -101.258 -27.0532 -101.258 -556.253 GPRESSURE: 4958600 265.177 -107.028 -68.9077 -57.0208 -115.787 -176.018 -146.588 -78.455 -642.924 PRESSAVG: 4958600 27.8303 -21.388 13.0893 -21.3881 -11.0837 35.9703 13.0893 35.9703 11.2861 GPRESSAVG: 4958600 27.6597 -21.153 12.9696 -21.9283 -9.42843 34.8778 13.8228 38.7214 9.20749 TIMING: 4958600 CPU: 15684.3, 0.00317621/step Wall: 15684.3, 0.00317621/step, 0.0365265 hours remaining, 236.253906 MB of memory in use. ENERGY: 4958600 4007.8999 20490.7631 14541.3047 234.0703 -203104.0849 2580.5936 0.0000 0.0000 51743.5449 -109505.9085 297.3709 -161249.4534 -109159.9718 298.7846 -193.3490 -164.5112 761388.2862 9.3442 9.1462 PRESSURE: 4958800 133.354 -146.754 -14.2012 -146.754 -64.5913 318.963 -14.2019 318.962 -253.531 GPRESSURE: 4958800 104.831 -181.814 -31.9831 -15.6177 -38.2781 375.281 22.4586 309.366 -171.655 PRESSAVG: 4958800 41.4011 -41.3768 43.5761 -41.3769 -22.7108 68.2397 43.5761 68.2396 6.3209 GPRESSAVG: 4958800 42.1893 -41.8152 44.3227 -41.1964 -24.6586 67.3826 41.8557 67.9115 7.40778 TIMING: 4958800 CPU: 15684.9, 0.00316496/step Wall: 15684.9, 0.00316496/step, 0.0362212 hours remaining, 236.253906 MB of memory in use. ENERGY: 4958800 4057.0397 20537.8774 14499.8276 252.3727 -203438.3924 2556.4705 0.0000 0.0000 52142.4839 -109392.3206 299.6636 -161534.8045 -109029.0786 299.1032 -61.5892 -35.0340 760209.0597 8.3371 8.3128 PRESSURE: 4959000 101.271 -166.569 24.4749 -166.57 -10.0743 203.232 24.475 203.233 228.378 GPRESSURE: 4959000 67.1864 -8.52508 -14.4585 -183.338 56.6957 198.571 69.6686 202.905 267.764 PRESSAVG: 4959000 17.0931 -18.8429 11.8507 -18.8429 -16.3711 15.5467 11.8507 15.5467 0.423215 GPRESSAVG: 4959000 15.9936 -18.5328 11.5581 -18.3217 -15.0051 18.6056 15.2683 13.6466 0.422534 TIMING: 4959000 CPU: 15685.5, 0.00317745/step Wall: 15685.5, 0.00317745/step, 0.0361876 hours remaining, 236.253906 MB of memory in use. ENERGY: 4959000 3989.7135 20374.3595 14501.4870 222.9776 -203240.1315 2575.0888 0.0000 0.0000 52019.3031 -109557.2019 298.9557 -161576.5050 -109196.1666 298.7696 106.5248 130.5485 760782.4979 0.3817 0.4703 PRESSURE: 4959200 -58.1694 -75.8206 -3.14235 -75.8205 5.23984 -26.9406 -3.14214 -26.9416 353.894 GPRESSURE: 4959200 -150.351 12.4326 -34.8818 -120.236 137.907 -87.4291 -127.008 -75.5064 410.543 PRESSAVG: 4959200 -11.5073 -7.92183 14.8924 -7.92182 5.16362 24.2883 14.8924 24.2883 -3.66538 GPRESSAVG: 4959200 -12.5136 -10.1128 14.2239 -8.40065 5.48782 22.6804 14.5022 25.7283 -2.87019 TIMING: 4959200 CPU: 15686.2, 0.00315754/step Wall: 15686.2, 0.00315754/step, 0.0357854 hours remaining, 236.253906 MB of memory in use. ENERGY: 4959200 4035.0490 20403.7265 14473.2826 245.0707 -203255.8922 2722.6663 0.0000 0.0000 51890.2875 -109485.8097 298.2142 -161376.0971 -109133.9545 298.4287 100.3214 132.6997 761467.0672 -3.3363 -3.2987 PRESSURE: 4959400 135.57 -16.4589 -1.82863 -16.4596 -86.4883 1.37823 -1.8285 1.37911 328.61 GPRESSURE: 4959400 86.2166 74.8896 27.1478 46.1922 -31.2644 10.7519 -15.3042 117.25 387.089 PRESSAVG: 4959400 -4.26922 -30.5 17.6306 -30.4999 10.4387 11.3503 17.6306 11.3502 12.7288 GPRESSAVG: 4959400 -2.21327 -29.0602 17.0585 -29.8235 8.87496 12.7653 19.235 10.6953 11.9306 TIMING: 4959400 CPU: 15686.8, 0.00317793/step Wall: 15686.8, 0.00317793/step, 0.03584 hours remaining, 236.253906 MB of memory in use. ENERGY: 4959400 3979.9316 20492.2889 14551.8526 257.7597 -203419.9456 2917.9309 0.0000 0.0000 51858.7243 -109361.4575 298.0328 -161220.1819 -109009.2220 298.5096 125.8975 147.3472 763005.5752 6.2994 6.1974 PRESSURE: 4959600 -12.0349 -279.798 263.41 -279.797 16.9622 51.8349 263.41 51.8353 42.4638 GPRESSURE: 4959600 88.9205 -353.337 266.585 -165.485 36.9614 23.2166 261.406 23.7649 32.4828 PRESSAVG: 4959600 20.6362 -18.6517 -9.63987 -18.6516 -32.6685 11.9753 -9.63985 11.9753 2.31369 GPRESSAVG: 4959600 21.2961 -17.8498 -6.94668 -19.9521 -32.1294 9.76205 -11.5128 11.7285 1.22124 TIMING: 4959600 CPU: 15687.4, 0.00315891/step Wall: 15687.4, 0.00315891/step, 0.03545 hours remaining, 236.253906 MB of memory in use. ENERGY: 4959600 3974.2275 20391.6550 14537.3383 261.3922 -203024.3137 2365.4795 0.0000 0.0000 51990.8078 -109503.4133 298.7919 -161494.2212 -109142.2771 298.4004 15.7970 52.7882 761207.9228 -3.2395 -3.2040 PRESSURE: 4959800 -67.4707 -209.765 176.347 -209.765 -121.463 35.8525 176.347 35.8516 -155.99 GPRESSURE: 4959800 -79.3925 -153.164 195.82 -232.578 -45.8719 76.8978 72.7724 101.379 -121.955 PRESSAVG: 4959800 49.2693 -50.0449 -59.6412 -50.0449 -12.8306 34.2494 -59.6413 34.2494 -10.0488 GPRESSAVG: 4959800 48.5525 -50.9838 -61.1818 -49.6042 -13.0726 35.1534 -58.6589 32.8952 -9.08232 TIMING: 4959800 CPU: 15688.1, 0.00316394/step Wall: 15688.1, 0.00316394/step, 0.0353306 hours remaining, 236.253906 MB of memory in use. ENERGY: 4959800 4054.1044 20348.1212 14573.1184 264.7421 -202904.9476 2296.2507 0.0000 0.0000 52103.5518 -109265.0590 299.4398 -161368.6108 -108895.5664 299.4273 -114.9745 -82.4064 762690.6515 8.7966 8.7992 PRESSURE: 4960000 -8.5273 -145.823 -55.9071 -145.823 -80.661 -88.5812 -55.9077 -88.5812 -243.926 GPRESSURE: 4960000 24.5049 -114.086 -26.709 -251.775 -51.2293 -34.5747 -87.3681 -172.677 -238.45 PRESSAVG: 4960000 12.425 -66.1677 -16.8259 -66.1677 18.5791 -34.2938 -16.8259 -34.2939 25.0382 GPRESSAVG: 4960000 12.169 -65.2572 -17.2361 -65.616 17.8716 -33.4576 -17.1017 -34.0079 25.4462 TIMING: 4960000 CPU: 15688.7, 0.0031878/step Wall: 15688.7, 0.0031878/step, 0.03542 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: 4960000 3999.9829 20551.8408 14549.1629 245.8022 -203176.4296 2622.3677 0.0000 0.0000 51836.1169 -109371.1563 297.9029 -161207.2732 -109003.9336 299.1359 -111.0381 -88.3914 762917.4102 18.6808 18.4956 PRESSURE: 4960200 -67.4181 12.7779 53.0635 12.7783 37.6615 181.526 53.0635 181.525 -224.444 GPRESSURE: 4960200 78.6637 15.2544 18.3269 -33.6446 27.0435 168.873 60.4371 229.926 -280.872 PRESSAVG: 4960200 12.8802 -43.3915 -18.505 -43.3916 5.28789 -33.0402 -18.5049 -33.0403 -9.42894 GPRESSAVG: 4960200 13.2433 -45.259 -18.7776 -44.2385 5.48982 -35.2451 -18.2834 -30.9522 -10.3305 TIMING: 4960200 CPU: 15689.3, 0.00319265/step Wall: 15689.3, 0.00319265/step, 0.0352965 hours remaining, 236.253906 MB of memory in use. ENERGY: 4960200 3986.2900 20513.3919 14562.8856 241.6580 -203206.5048 2607.5168 0.0000 0.0000 52088.6456 -109206.1168 299.3542 -161294.7624 -108845.3774 298.7488 -84.7335 -58.3883 763764.5673 2.9130 2.8009 LDB: ============= START OF LOAD BALANCING ============== 15701.9 LDB: ============== END OF LOAD BALANCING =============== 15701.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15701.9 LDB: ============= START OF LOAD BALANCING ============== 15702.2 LDB: Largest compute 7060 load 0.035302 is 18.1% of average load 0.195568 LDB: Average compute 0.004389 is 2.2% of average load 0.195568 LDB: TIME 15702.2 LOAD: AVG 0.195568 MAX 0.21773 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 234.613 MB LDB: TIME 15702.2 LOAD: AVG 0.195568 MAX 0.21773 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: TIME 15702.2 LOAD: AVG 0.195568 MAX 0.21773 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 234.613 MB LDB: ============== END OF LOAD BALANCING =============== 15702.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15702.2 PRESSURE: 4960400 -273.103 -43.1437 41.8106 -43.1439 -627.256 -118.665 41.8102 -118.665 -210.15 GPRESSURE: 4960400 -322.888 -121.163 -16.1577 -74.4526 -538.236 -157.341 -48.1624 -239.112 -175.569 PRESSAVG: 4960400 -13.258 -16.5344 -7.24619 -16.5344 22.0514 33.6125 -7.24622 33.6125 -18.877 GPRESSAVG: 4960400 -13.7127 -14.5155 -6.82576 -15.1633 21.0445 35.2598 -7.81144 30.8111 -18.0305 TIMING: 4960400 CPU: 15690, 0.00325531/step Wall: 15690, 0.00325531/step, 0.0358084 hours remaining, 234.613281 MB of memory in use. ENERGY: 4960400 3912.7540 20586.0429 14465.0830 259.7633 -202836.6184 2155.7057 0.0000 0.0000 52093.3418 -109363.9278 299.3812 -161457.2696 -109004.5629 299.3584 -370.1696 -345.5643 763465.5845 -3.3612 -3.5663 PRESSURE: 4960600 194.135 16.2324 10.6317 16.2315 -262.839 -121.16 10.6318 -121.161 -341.334 GPRESSURE: 4960600 180.193 26.5422 28.2083 -117.03 -203.74 -159.837 39.1245 -68.8813 -309.215 PRESSAVG: 4960600 23.1088 -16.8575 3.23711 -16.8575 -36.4546 7.63188 3.23712 7.63189 12.7593 GPRESSAVG: 4960600 22.7218 -17.4625 3.52067 -19.3547 -35.3409 7.23074 2.7538 11.9651 11.7524 TIMING: 4960600 CPU: 15690.6, 0.00319714/step Wall: 15690.6, 0.00319714/step, 0.0349909 hours remaining, 234.816406 MB of memory in use. ENERGY: 4960600 3975.9828 20222.5998 14451.8254 273.5059 -203573.1339 2960.6941 0.0000 0.0000 52268.3141 -109420.2119 300.3867 -161688.5260 -109059.4555 299.7212 -136.6794 -110.9205 761911.3313 -0.1955 -0.2889 PRESSURE: 4960800 -24.1276 46.5784 53.5553 46.5782 -146.375 153.855 53.5546 153.856 102.297 GPRESSURE: 4960800 -0.0449929 -20.0555 -77.9012 21.5011 -37.9814 133.515 201.571 9.34703 68.0463 PRESSAVG: 4960800 14.2342 -9.41953 12.348 -9.41964 9.75126 3.32677 12.3481 3.32676 -6.75465 GPRESSAVG: 4960800 14.5703 -9.28553 12.4825 -8.13189 10.5538 1.86949 14.7779 1.55441 -7.61314 TIMING: 4960800 CPU: 15691.3, 0.00319395/step Wall: 15691.3, 0.00319395/step, 0.0347786 hours remaining, 234.816406 MB of memory in use. ENERGY: 4960800 3928.0080 20456.5453 14571.0663 235.1738 -203219.2118 2472.1731 0.0000 0.0000 51795.9642 -109760.2812 297.6721 -161556.2453 -109409.7964 299.2913 -22.7350 10.0066 761203.6640 5.7436 5.8370 PRESSURE: 4961000 -34.2472 53.2693 96.8638 53.2692 283.206 130.426 96.8645 130.425 182.327 GPRESSURE: 4961000 52.8709 65.7597 121.053 85.9019 246.208 234.602 119.635 1.74818 206.991 PRESSAVG: 4961000 -23.2435 23.191 15.5855 23.191 45.7989 25.2148 15.5855 25.2148 12.717 GPRESSAVG: 4961000 -22.6273 21.4688 14.6983 22.7731 44.1604 25.793 13.6261 25.1196 13.7696 TIMING: 4961000 CPU: 15691.9, 0.00318785/step Wall: 15691.9, 0.00318785/step, 0.034535 hours remaining, 234.816406 MB of memory in use. ENERGY: 4961000 4005.7089 20428.3161 14497.8619 243.3684 -203419.6947 2901.8515 0.0000 0.0000 51736.3108 -109606.2771 297.3293 -161342.5879 -109257.5566 298.0054 143.7621 168.6900 761280.1548 11.7575 11.7676 PRESSURE: 4961200 -37.736 60.6746 165.741 60.675 -152.803 -120.73 165.74 -120.731 193.403 GPRESSURE: 4961200 -45.6726 -16.8849 199.635 0.916002 -66.4137 -171.61 26.3392 -57.5363 220.208 PRESSAVG: 4961200 1.48388 20.8986 -16.4241 20.8986 34.8395 11.3376 -16.4241 11.3375 -8.6253 GPRESSAVG: 4961200 0.889075 22.8875 -16.9981 20.0531 35.8785 11.1347 -17.7446 12.9615 -8.47206 TIMING: 4961200 CPU: 15692.6, 0.00320438/step Wall: 15692.6, 0.00320438/step, 0.0345361 hours remaining, 234.816406 MB of memory in use. ENERGY: 4961200 4003.6709 20522.3040 14550.5239 241.5133 -203586.2159 2729.2431 0.0000 0.0000 52016.2684 -109522.6923 298.9382 -161538.9607 -109163.7546 298.3774 0.9547 36.0406 762299.6611 9.2327 9.4318 PRESSURE: 4961400 -230.947 -16.3036 -126.894 -16.3037 -199.875 -71.0455 -126.894 -71.0451 11.0397 GPRESSURE: 4961400 -202.324 -107.546 -158.341 -35.4416 -171.276 -124.282 -140.972 -197.016 37.2532 PRESSAVG: 4961400 41.1638 -1.01454 -2.84798 -1.0146 -25.5521 -25.7244 -2.848 -25.7244 7.58441 GPRESSAVG: 4961400 40.608 -2.47492 -1.8059 0.0644852 -26.1809 -24.4709 -2.99815 -28.1345 8.79999 TIMING: 4961400 CPU: 15693.2, 0.00320039/step Wall: 15693.2, 0.00320039/step, 0.0343153 hours remaining, 234.816406 MB of memory in use. ENERGY: 4961400 3979.6786 20530.7228 14516.6656 226.6265 -203538.2382 2848.2727 0.0000 0.0000 51921.3246 -109514.9474 298.3926 -161436.2720 -109154.0438 299.0620 -139.9275 -112.1154 763657.3355 7.7320 7.7424 PRESSURE: 4961600 198.518 -10.8913 151.607 -10.891 -177.876 263.566 151.607 263.565 330.181 GPRESSURE: 4961600 242.881 -177.873 18.2815 67.183 -146.994 294.605 235.158 215.939 333.969 PRESSAVG: 4961600 -39.8151 -57.5059 -51.2531 -57.5059 49.3887 8.08472 -51.2531 8.08473 4.28267 GPRESSAVG: 4961600 -39.0344 -57.466 -51.9049 -57.391 49.8081 7.69884 -50.0004 7.67779 3.21413 TIMING: 4961600 CPU: 15693.8, 0.00318399/step Wall: 15693.8, 0.00318399/step, 0.0339625 hours remaining, 234.816406 MB of memory in use. ENERGY: 4961600 3970.3831 20414.3035 14411.9162 265.9779 -203583.7583 2681.1104 0.0000 0.0000 52162.2750 -109677.7922 299.7773 -161840.0672 -109305.5597 298.5701 116.9408 143.2853 761721.6948 4.6188 4.6626 PRESSURE: 4961800 167.275 -100.41 40.0214 -100.41 58.3138 232.075 40.0221 232.076 -442.094 GPRESSURE: 4961800 164.754 -23.7662 -38.9213 -62.7229 106.663 245.75 112.483 249.453 -409.618 PRESSAVG: 4961800 18.7418 -0.739619 -24.829 -0.739644 11.9278 -5.81005 -24.829 -5.81008 2.20374 GPRESSAVG: 4961800 18.7403 2.15554 -23.8677 -0.253116 11.625 -5.47529 -23.8209 -3.66832 2.16245 TIMING: 4961800 CPU: 15694.5, 0.00315995/step Wall: 15694.5, 0.00315995/step, 0.0335306 hours remaining, 234.816406 MB of memory in use. ENERGY: 4961800 4016.0566 20420.0524 14404.4093 244.6329 -202914.4094 2503.6185 0.0000 0.0000 51801.6783 -109523.9614 297.7050 -161325.6397 -109172.7925 298.2582 -72.1683 -46.0669 762261.9352 10.9578 10.8426 PRESSURE: 4962000 -179.116 -45.4246 142.083 -45.424 -249.978 25.4899 142.084 25.4904 148.084 GPRESSURE: 4962000 -142.316 -49.0666 112.395 -24.6926 -181.112 25.3685 310.238 -17.4777 152.092 PRESSAVG: 4962000 -9.76327 -35.6562 50.2622 -35.6563 -21.1746 27.0533 50.2622 27.0533 3.45199 GPRESSAVG: 4962000 -9.23321 -36.9241 49.3346 -37.449 -21.5707 26.6407 49.5065 25.3859 3.69489 TIMING: 4962000 CPU: 15695.1, 0.00316496/step Wall: 15695.1, 0.00316496/step, 0.0334079 hours remaining, 234.816406 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: 4962000 3980.4180 20427.7931 14458.4907 264.3187 -202755.9671 2346.4463 0.0000 0.0000 51826.8054 -109451.6949 297.8494 -161278.5003 -109100.0899 298.4939 -93.6700 -57.1122 763657.2418 -9.1620 -9.0363 PRESSURE: 4962200 321.755 2.56865 75.8501 2.56911 11.9271 -239.01 75.8497 -239.011 -85.5269 GPRESSURE: 4962200 270.319 -10.0025 -4.56341 -69.0901 164.171 -274.275 119.315 -269.993 -82.5286 PRESSAVG: 4962200 -35.709 8.84343 44.0834 8.8434 8.76531 1.21669 44.0834 1.21663 -1.21272 GPRESSAVG: 4962200 -36.45 8.09867 44.6617 9.39615 9.86552 0.667587 42.2376 0.0312444 -1.88595 TIMING: 4962200 CPU: 15695.7, 0.00316735/step Wall: 15695.7, 0.00316735/step, 0.0332572 hours remaining, 234.816406 MB of memory in use. ENERGY: 4962200 3983.2853 20450.8504 14414.1350 247.0553 -203389.1247 2768.0336 0.0000 0.0000 51889.8457 -109635.9194 298.2117 -161525.7651 -109274.3353 298.8320 82.7184 117.3205 761985.1359 -9.3855 -9.4902 PRESSURE: 4962400 345.853 -345.106 -21.6485 -345.106 41.3464 -145.392 -21.6491 -145.392 -200.292 GPRESSURE: 4962400 319.725 -302.639 46.6086 -295.441 138.16 -35.9646 40.0563 -101.113 -200.397 PRESSAVG: 4962400 52.3964 -112.541 38.2723 -112.54 -58.3828 19.2651 38.2723 19.2651 19.4514 GPRESSAVG: 4962400 51.6345 -112.141 37.3272 -110.635 -58.0316 18.0926 42.1241 22.3307 19.7012 TIMING: 4962400 CPU: 15696.4, 0.00314614/step Wall: 15696.4, 0.00314614/step, 0.0328597 hours remaining, 234.816406 MB of memory in use. ENERGY: 4962400 3955.3237 20479.9769 14384.2594 253.9616 -203671.6121 2959.5476 0.0000 0.0000 52114.5189 -109524.0241 299.5029 -161638.5430 -109164.1598 298.3176 62.3025 85.8293 762153.7802 4.4884 4.4347 PRESSURE: 4962600 96.2574 -71.1531 225.983 -71.1532 -181.616 -29.9728 225.983 -29.9722 -184.363 GPRESSURE: 4962600 26.3668 -140.756 217.68 -160.469 -126.63 -115.526 123.311 81.3174 -81.7593 PRESSAVG: 4962600 25.5257 -88.6758 -40.4377 -88.6757 -46.6757 -16.035 -40.4377 -16.0349 4.13582 GPRESSAVG: 4962600 26.0461 -88.3179 -38.5167 -89.6116 -47.8326 -14.3466 -43.5846 -15.9324 4.39605 TIMING: 4962600 CPU: 15697, 0.0031375/step Wall: 15697, 0.0031375/step, 0.0325951 hours remaining, 234.816406 MB of memory in use. ENERGY: 4962600 3961.8107 20437.2911 14435.1780 247.8783 -203183.9825 2574.4944 0.0000 0.0000 51869.9876 -109657.3425 298.0975 -161527.3301 -109303.3299 298.8219 -89.9073 -60.6742 763191.6819 -5.6714 -5.7968 PRESSURE: 4962800 97.3493 -201.096 -66.378 -201.096 -278.595 132.561 -66.3769 132.56 168.97 GPRESSURE: 4962800 266.782 -119.893 -26.7581 -196.964 -306.186 118.597 -37.5467 81.7924 142.068 PRESSAVG: 4962800 32.6555 -62.8784 1.65572 -62.8784 -64.3098 -36.0819 1.65573 -36.0819 36.4863 GPRESSAVG: 4962800 31.7427 -64.0824 -0.19557 -63.1973 -61.9799 -35.722 1.88907 -39.9536 35.823 TIMING: 4962800 CPU: 15697.6, 0.00316042/step Wall: 15697.6, 0.00316043/step, 0.0326577 hours remaining, 234.816406 MB of memory in use. ENERGY: 4962800 4069.2162 20444.0621 14447.5700 223.5338 -203125.7516 2695.4345 0.0000 0.0000 51925.2195 -109320.7155 298.4150 -161245.9349 -108971.4360 298.1787 -4.0918 34.2213 763157.1405 1.6106 1.8619 PRESSURE: 4963000 310.497 112.588 33.0919 112.587 -149.187 -212.736 33.092 -212.737 35.9486 GPRESSURE: 4963000 341.005 -13.3795 -63.4492 -22.5248 -126.801 -181.376 -7.14745 -342.149 68.7695 PRESSAVG: 4963000 -14.4804 -59.9244 -1.5063 -59.9244 24.0031 43.1014 -1.50626 43.1013 -15.4394 GPRESSAVG: 4963000 -13.7996 -59.3742 -2.61041 -61.7964 23.7198 41.8968 0.755856 45.6355 -15.3384 TIMING: 4963000 CPU: 15698.3, 0.00316587/step Wall: 15698.3, 0.00316587/step, 0.0325381 hours remaining, 234.875000 MB of memory in use. ENERGY: 4963000 4010.5224 20302.6370 14444.5095 246.4273 -203392.5293 2735.1928 0.0000 0.0000 52371.8810 -109281.3593 300.9819 -161653.2402 -108913.3227 299.3148 65.7529 94.3246 761111.5846 -1.9722 -1.8060 PRESSURE: 4963200 276.973 -307.963 -159.725 -307.963 -6.34773 -78.7903 -159.724 -78.7917 126.718 GPRESSURE: 4963200 230.381 -214.84 -215.798 -281.327 89.7098 -141.011 -113.915 -28.2836 146.994 PRESSAVG: 4963200 65.8205 -64.0631 40.318 -64.063 -54.8684 -19.4644 40.318 -19.4645 -5.2274 GPRESSAVG: 4963200 66.2519 -65.3892 43.8704 -60.9919 -55.5286 -18.8868 37.1386 -19.2166 -5.32516 TIMING: 4963200 CPU: 15698.9, 0.00318383/step Wall: 15698.9, 0.00318383/step, 0.0325458 hours remaining, 234.875000 MB of memory in use. ENERGY: 4963200 3957.6476 20483.8822 14475.8226 237.6229 -203534.3039 2747.0701 0.0000 0.0000 52223.1108 -109409.1478 300.1269 -161632.2586 -109048.7584 299.1638 132.4478 155.6950 761675.3568 1.9082 1.7994 PRESSURE: 4963400 132.361 -30.9823 -65.5393 -30.9832 212.42 268.786 -65.54 268.786 -235.576 GPRESSURE: 4963400 70.5059 -63.3478 -124.696 -34.4656 265.112 290.919 -34.6973 244.103 -142.93 PRESSAVG: 4963400 37.5998 -43.0316 20.6046 -43.0316 -17.6708 17.378 20.6046 17.3781 -8.73278 GPRESSAVG: 4963400 37.2947 -42.1517 19.2187 -46.2175 -17.3679 18.3655 23.6162 17.2906 -9.09865 TIMING: 4963400 CPU: 15699.5, 0.00315969/step Wall: 15699.5, 0.00315969/step, 0.0321235 hours remaining, 234.875000 MB of memory in use. ENERGY: 4963400 4009.8047 20671.0941 14455.2766 247.9620 -203360.2869 2697.9163 0.0000 0.0000 51881.9275 -109396.3058 298.1662 -161278.2333 -109034.6505 298.7080 36.4016 64.2294 761707.6184 3.7321 3.6094 PRESSURE: 4963600 -156.049 -56.046 147.762 -56.0463 -16.7393 -48.4788 147.763 -48.4787 210.277 GPRESSURE: 4963600 -130.723 -42.3285 170.159 -6.96056 -2.20146 -109.046 5.74061 29.0171 259.275 PRESSAVG: 4963600 27.0802 -55.0058 -36.8708 -55.0058 -51.5004 15.1228 -36.8708 15.1228 -23.8311 GPRESSAVG: 4963600 25.0477 -54.8468 -36.0226 -54.6903 -50.3497 15.0885 -40.692 14.9164 -23.4894 TIMING: 4963600 CPU: 15700.2, 0.0031645/step Wall: 15700.2, 0.0031645/step, 0.0319966 hours remaining, 234.875000 MB of memory in use. ENERGY: 4963600 3925.7476 20546.4738 14568.2686 242.5784 -203337.2102 2597.2636 0.0000 0.0000 51940.6969 -109516.1814 298.5039 -161456.8783 -109159.8663 298.2135 12.4964 42.1170 761939.8353 -16.0838 -16.2638 PRESSURE: 4963800 -64.4466 -70.6143 88.6662 -70.6137 -39.694 365.109 88.6663 365.108 -202.172 GPRESSURE: 4963800 61.7658 7.93636 83.3557 -97.102 -117.824 438.311 56.4809 355.297 -158.976 PRESSAVG: 4963800 -27.9843 -45.6017 -38.6742 -45.6017 -6.24096 -41.9026 -38.6741 -41.9026 18.024 GPRESSAVG: 4963800 -26.246 -44.8397 -39.9477 -42.594 -8.42041 -42.7883 -35.2171 -39.267 17.5504 TIMING: 4963800 CPU: 15700.8, 0.00317294/step Wall: 15700.8, 0.00317294/step, 0.0319057 hours remaining, 234.875000 MB of memory in use. ENERGY: 4963800 4059.0264 20575.3127 14527.4088 245.2024 -203161.8686 2382.8058 0.0000 0.0000 51878.7560 -109493.3566 298.1479 -161372.1126 -109131.1293 298.9253 -102.1042 -71.6782 762256.6814 -5.4004 -5.7053 PRESSURE: 4964000 -197.155 -48.6443 24.3601 -48.6438 -67.404 -220.447 24.3602 -220.447 -375.178 GPRESSURE: 4964000 -144.993 -133.358 9.96255 -48.0384 -9.53328 -197.177 -106.157 -175.366 -395.577 PRESSAVG: 4964000 -39.8624 -23.1374 -51.5042 -23.1374 19.2419 18.0227 -51.5042 18.0228 12.6084 GPRESSAVG: 4964000 -39.2328 -23.6748 -51.8084 -25.5034 20.0607 16.2784 -49.9084 14.9474 11.5452 TIMING: 4964000 CPU: 15701.4, 0.00316833/step Wall: 15701.4, 0.00316833/step, 0.0316833 hours remaining, 234.875000 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: 4964000 4007.2662 20375.3248 14429.2152 245.2190 -203312.5095 2665.6493 0.0000 0.0000 52060.1832 -109529.6518 299.1906 -161589.8351 -109156.1782 298.7398 -213.2457 -183.3679 762416.4148 -2.6707 -2.5423 PRESSURE: 4964200 60.1014 46.7789 -22.0789 46.779 169.978 -111.272 -22.0802 -111.271 13.2926 GPRESSURE: 4964200 141.62 23.5605 -31.4295 26.8242 243.435 -118.454 -61.6883 -157.407 -68.3445 PRESSAVG: 4964200 -29.1365 -43.0714 -52.3152 -43.0713 33.9173 -28.7054 -52.3152 -28.7054 -25.9474 GPRESSAVG: 4964200 -28.808 -41.4867 -53.8412 -43.5327 33.5361 -27.2001 -54.989 -27.979 -26.3693 TIMING: 4964200 CPU: 15702.1, 0.00318621/step Wall: 15702.1, 0.00318622/step, 0.0316851 hours remaining, 234.875000 MB of memory in use. ENERGY: 4964200 3947.5910 20583.9377 14490.3447 254.0021 -203346.2373 2759.7995 0.0000 0.0000 52029.0827 -109281.4797 299.0119 -161310.5623 -108911.4256 299.0477 81.1240 105.5704 762562.1996 -7.0555 -7.2137 LDB: ============= START OF LOAD BALANCING ============== 15714.6 LDB: ============== END OF LOAD BALANCING =============== 15714.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15714.6 LDB: ============= START OF LOAD BALANCING ============== 15714.9 LDB: Largest compute 7056 load 0.035647 is 18.2% of average load 0.195593 LDB: Average compute 0.004391 is 2.2% of average load 0.195593 LDB: TIME 15714.9 LOAD: AVG 0.195593 MAX 0.215744 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.129 MB LDB: TIME 15714.9 LOAD: AVG 0.195593 MAX 0.215744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: TIME 15714.9 LOAD: AVG 0.195593 MAX 0.215744 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.332 MB LDB: ============== END OF LOAD BALANCING =============== 15714.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15714.9 PRESSURE: 4964400 146.567 45.3541 -6.99781 45.3533 128.388 204.657 -6.99746 204.657 33.6589 GPRESSURE: 4964400 257.262 130.179 39.6757 96.0094 99.9118 167.007 91.5625 184.904 30.4994 PRESSAVG: 4964400 -4.88012 -15.4698 -27.4407 -15.4697 -3.63429 14.3967 -27.4407 14.3967 13.1838 GPRESSAVG: 4964400 -6.63297 -16.7128 -26.4116 -16.6632 -3.57518 13.3467 -24.9646 11.9898 15.3755 TIMING: 4964400 CPU: 15702.7, 0.00323898/step Wall: 15702.7, 0.00323898/step, 0.03203 hours remaining, 236.859375 MB of memory in use. ENERGY: 4964400 4012.9634 20360.9388 14457.5705 235.8236 -203388.5654 2790.5658 0.0000 0.0000 52102.8051 -109427.8983 299.4355 -161530.7034 -109055.5897 299.0536 102.8715 129.2245 761813.6565 1.5565 1.7224 PRESSURE: 4964600 -233.04 -198.284 79.7726 -198.283 -277.946 130.257 79.7733 130.258 -181.118 GPRESSURE: 4964600 -175.706 -120.023 112.698 -278.598 -198.927 174.429 142.902 145.985 -224.727 PRESSAVG: 4964600 17.4658 -98.261 11.6832 -98.261 14.225 1.09888 11.6832 1.09889 -13.8492 GPRESSAVG: 4964600 17.2794 -99.3546 13.0954 -97.0323 14.8112 1.68006 10.4458 2.61174 -14.7406 TIMING: 4964600 CPU: 15703.3, 0.00315952/step Wall: 15703.3, 0.00315952/step, 0.0310686 hours remaining, 236.859375 MB of memory in use. ENERGY: 4964600 4039.3184 20437.9315 14487.0244 269.3516 -202893.1561 2334.4268 0.0000 0.0000 51846.2378 -109478.8657 297.9610 -161325.1035 -109112.5092 298.4148 -230.7012 -199.7869 764467.5473 5.9472 5.7833 PRESSURE: 4964800 15.0995 -67.7096 32.2267 -67.7095 317.396 -172.223 32.2257 -172.223 -335.451 GPRESSURE: 4964800 45.1926 -19.1406 -23.1536 55.9377 296.961 -136.275 113.09 -27.8329 -254.518 PRESSAVG: 4964800 -2.97144 -4.13115 67.9236 -4.13116 -23.0931 36.1935 67.9236 36.1935 8.06524 GPRESSAVG: 4964800 -4.22759 -0.422308 67.8478 -4.22855 -24.0393 34.7158 68.8227 36.8304 10.2365 TIMING: 4964800 CPU: 15704, 0.00316462/step Wall: 15704, 0.00316462/step, 0.030943 hours remaining, 236.859375 MB of memory in use. ENERGY: 4964800 3966.6577 20470.8599 14444.9114 254.6128 -203289.8763 2572.8616 0.0000 0.0000 51928.9648 -109651.0081 298.4365 -161579.9729 -109287.5145 298.5120 -0.9853 29.2118 764164.3950 -5.9998 -6.0101 PRESSURE: 4965000 -110.539 -138.584 -235.215 -138.584 -222.334 -159.861 -235.215 -159.861 -101.103 GPRESSURE: 4965000 -84.7311 -63.2922 -319.102 -141.59 -165.231 -122.622 -233.118 -246.264 -92.6047 PRESSAVG: 4965000 17.5519 8.89656 -9.03156 8.89657 -47.4729 -48.8996 -9.03152 -48.8996 7.35065 GPRESSAVG: 4965000 18.905 7.7917 -9.53712 8.12261 -47.5178 -45.963 -10.4752 -48.4899 5.98711 TIMING: 4965000 CPU: 15704.6, 0.00315097/step Wall: 15704.6, 0.00315097/step, 0.0306344 hours remaining, 236.859375 MB of memory in use. ENERGY: 4965000 3983.6939 20299.5073 14523.7683 241.2051 -202931.4381 2628.9239 0.0000 0.0000 51772.1446 -109482.1949 297.5352 -161254.3395 -109123.3422 298.1371 -144.6589 -114.1889 762274.7511 -7.5235 -7.5419 PRESSURE: 4965200 -10.9778 122.608 -233.276 122.608 340.378 203.523 -233.275 203.522 -17.2303 GPRESSURE: 4965200 87.8491 136.297 -232.347 74.5651 361.284 114.567 -270.35 90.0955 -38.8562 PRESSAVG: 4965200 -3.80351 11.4727 -0.256332 11.4727 19.3447 34.4101 -0.256347 34.41 2.55587 GPRESSAVG: 4965200 -3.96828 11.1126 -0.344224 11.7652 19.2356 33.5455 -1.25579 34.1731 2.89399 TIMING: 4965200 CPU: 15705.2, 0.0031626/step Wall: 15705.2, 0.0031626/step, 0.0305718 hours remaining, 236.859375 MB of memory in use. ENERGY: 4965200 3929.3480 20394.3739 14513.7362 262.1730 -203321.6064 2833.3788 0.0000 0.0000 51887.0582 -109501.5383 298.1956 -161388.5965 -109143.2742 298.2658 104.0566 136.7588 762343.7625 6.0324 6.0538 PRESSURE: 4965400 -76.9146 127.287 -7.39175 127.286 -9.44554 -201.008 -7.39176 -201.008 -387.172 GPRESSURE: 4965400 -32.9866 163.098 59.1298 23.4691 -21.3285 -105.892 -117.63 -168.346 -342.137 PRESSAVG: 4965400 68.1925 -25.7815 -28.4804 -25.7816 -50.8255 18.2479 -28.4804 18.248 -8.23063 GPRESSAVG: 4965400 68.8982 -25.3259 -28.8878 -25.9794 -51.4602 17.4035 -28.2624 18.4042 -8.74692 TIMING: 4965400 CPU: 15705.9, 0.00318376/step Wall: 15705.9, 0.00318376/step, 0.0305994 hours remaining, 236.859375 MB of memory in use. ENERGY: 4965400 4054.4435 20364.5020 14518.6974 242.7089 -203363.0578 2611.2958 0.0000 0.0000 52045.3558 -109526.0545 299.1054 -161571.4103 -109177.8259 298.4827 -157.8440 -132.1507 763046.9484 3.0455 2.8970 PRESSURE: 4965600 221.526 176.975 54.522 176.975 218.6 -32.9227 54.5217 -32.9235 -86.478 GPRESSURE: 4965600 246.679 161.673 45.1101 193.499 240.104 -43.0554 11.0014 -47.541 -43.9939 PRESSAVG: 4965600 27.6833 -6.57357 13.069 -6.57355 6.98253 37.6298 13.0689 37.6297 -27.3907 GPRESSAVG: 4965600 26.1709 -8.42223 13.4244 -6.37962 7.90699 37.9772 11.2238 37.1049 -26.5637 TIMING: 4965600 CPU: 15706.5, 0.0031853/step Wall: 15706.5, 0.0031853/step, 0.0304373 hours remaining, 236.859375 MB of memory in use. ENERGY: 4965600 3985.4247 20398.3390 14509.9505 257.0835 -203416.2097 2750.0338 0.0000 0.0000 51969.4944 -109545.8839 298.6694 -161515.3783 -109183.4469 298.3496 117.8826 147.5963 761096.5611 2.4251 2.5047 PRESSURE: 4965800 161.815 236.453 35.4702 236.454 144.057 243.155 35.4701 243.155 367.271 GPRESSURE: 4965800 166.337 126.783 34.3767 141.117 187.066 288.721 108.067 191.417 390.935 PRESSAVG: 4965800 53.9852 -35.0629 28.1864 -35.063 -63.3171 5.78521 28.1864 5.7853 18.059 GPRESSAVG: 4965800 54.7528 -34.2084 28.2187 -36.1485 -63.4221 6.14706 30.8429 4.59266 16.8227 TIMING: 4965800 CPU: 15707.1, 0.00315341/step Wall: 15707.1, 0.00315341/step, 0.0299574 hours remaining, 236.859375 MB of memory in use. ENERGY: 4965800 3935.4313 20445.7433 14433.4947 254.3269 -203472.7020 2756.3559 0.0000 0.0000 51637.2170 -110010.1329 296.7598 -161647.3499 -109650.0151 297.9778 224.3814 248.1128 761302.1673 2.9090 2.7178 PRESSURE: 4966000 11.1272 204.239 -7.2916 204.24 -47.8305 177.005 -7.29234 177.005 -414.327 GPRESSURE: 4966000 21.5827 136.883 -115.819 115.974 34.2808 221.706 -73.5767 166.999 -402.186 PRESSAVG: 4966000 -28.1895 12.3292 25.3323 12.3292 -4.47392 3.50985 25.3323 3.50992 24.8431 GPRESSAVG: 4966000 -28.8393 13.6364 24.6116 13.5712 -3.8529 1.4374 24.4457 4.45566 24.4842 TIMING: 4966000 CPU: 15707.8, 0.00316304/step Wall: 15707.8, 0.00316304/step, 0.0298731 hours remaining, 236.859375 MB of memory 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 4005.6909 20415.4848 14487.7493 265.4080 -203600.3652 2849.7544 0.0000 0.0000 51786.0007 -109790.2771 297.6149 -161576.2778 -109429.5441 298.2618 -150.3434 -115.4409 759737.5691 -2.6068 -2.7360 PRESSURE: 4966200 -88.7346 -192.459 -109.687 -192.459 83.3646 -222.659 -109.688 -222.659 -211.495 GPRESSURE: 4966200 -24.0925 -98.3705 -82.5955 -138.565 74.1008 -233.427 -6.88173 -223.566 -186.44 PRESSAVG: 4966200 29.9386 17.8091 3.68296 17.8092 9.06178 -12.0725 3.68294 -12.0725 -9.76214 GPRESSAVG: 4966200 29.5135 15.8723 2.1385 16.3749 8.80271 -9.43221 4.62152 -11.9295 -8.50065 TIMING: 4966200 CPU: 15708.4, 0.00317545/step Wall: 15708.4, 0.00317545/step, 0.029814 hours remaining, 236.859375 MB of memory in use. ENERGY: 4966200 3926.3316 20429.4817 14480.5058 259.4625 -203477.7579 2591.1969 0.0000 0.0000 52178.7330 -109612.0464 299.8719 -161790.7794 -109252.0953 298.4438 -72.2884 -45.4771 761220.2678 9.7461 9.9385 PRESSURE: 4966400 -271.444 -122.412 -164.948 -122.413 225.895 -224.387 -164.948 -224.389 -109.581 GPRESSURE: 4966400 -151.233 -243.66 -70.9034 -57.6578 196.078 -230.226 4.12089 -183.635 -110.629 PRESSAVG: 4966400 -41.3263 -26.3473 53.4893 -26.3473 -0.464042 -34.2358 53.4894 -34.2357 10.9754 GPRESSAVG: 4966400 -41.4158 -24.9299 55.6862 -25.1856 -1.44345 -36.5444 53.1623 -34.8254 11.3791 TIMING: 4966400 CPU: 15709, 0.00315988/step Wall: 15709, 0.00315988/step, 0.0294922 hours remaining, 236.859375 MB of memory in use. ENERGY: 4966400 3922.8156 20510.1970 14422.0945 239.1681 -203320.1315 2678.7377 0.0000 0.0000 52039.7922 -109507.3264 299.0734 -161547.1186 -109147.7330 298.9273 -51.7100 -21.9278 760600.9048 -10.2717 -10.4934 PRESSURE: 4966600 28.1756 -169.391 153.523 -169.392 -228.364 47.7873 153.524 47.7874 252.592 GPRESSURE: 4966600 -9.23674 -99.0333 164.778 -207.082 -94.66 44.2983 188.482 52.7191 277.495 PRESSAVG: 4966600 10.9213 -65.0054 -3.50889 -65.0054 -26.2945 -6.87355 -3.50886 -6.87346 17.1362 GPRESSAVG: 4966600 11.7985 -67.078 -3.51033 -64.8156 -25.0235 -6.99563 -4.33514 -5.23235 15.4283 TIMING: 4966600 CPU: 15709.7, 0.00318555/step Wall: 15709.7, 0.00318555/step, 0.0295548 hours remaining, 236.859375 MB of memory in use. ENERGY: 4966600 4030.8003 20425.7017 14491.5962 244.0298 -203089.7531 2509.6204 0.0000 0.0000 52063.2419 -109324.7628 299.2082 -161388.0047 -108973.4168 299.1253 17.4679 57.8659 760601.7559 0.5877 0.7344 PRESSURE: 4966800 59.4753 -54.5595 -60.3535 -54.5594 343.941 -158.948 -60.3531 -158.949 319.206 GPRESSURE: 4966800 153.901 -160.622 -45.234 -131.437 287.461 -78.3485 -57.5438 -185.453 362.922 PRESSAVG: 4966800 -61.4862 -84.6219 -2.47101 -84.6219 81.0801 47.0393 -2.47102 47.0393 8.83963 GPRESSAVG: 4966800 -61.9184 -82.6992 -3.70912 -85.8566 81.2283 49.0477 -0.273895 43.3769 9.12189 TIMING: 4966800 CPU: 15710.3, 0.00315886/step Wall: 15710.3, 0.00315886/step, 0.0291317 hours remaining, 236.859375 MB of memory in use. ENERGY: 4966800 3948.6752 20529.5938 14390.2098 235.3693 -203081.2312 2811.8075 0.0000 0.0000 51888.3517 -109277.2239 298.2031 -161165.5756 -108909.8871 298.8467 240.8742 268.0950 761530.3091 9.4778 9.4773 PRESSURE: 4967000 186.815 231.421 -37.4173 231.421 501.376 -78.7982 -37.4173 -78.7976 -132.729 GPRESSURE: 4967000 225.687 277.596 -94.762 78.4916 471.066 -37.0621 -65.2115 56.0855 -60.1478 PRESSAVG: 4967000 -20.8038 -50.4028 -43.881 -50.4028 24.6499 -22.1746 -43.881 -22.1746 -26.8508 GPRESSAVG: 4967000 -19.5246 -51.3588 -43.2132 -49.8264 24.5358 -24.6711 -46.8022 -19.2564 -27.9609 TIMING: 4967000 CPU: 15710.9, 0.00315801/step Wall: 15710.9, 0.00315801/step, 0.0289484 hours remaining, 236.859375 MB of memory in use. ENERGY: 4967000 3941.0078 20648.1756 14399.4329 253.2219 -203483.0822 2804.3577 0.0000 0.0000 52127.3205 -109309.5658 299.5764 -161436.8862 -108946.6382 299.5551 185.1536 212.2015 761195.1428 -7.6682 -7.6499 PRESSURE: 4967200 -3.82578 27.3965 -418.932 27.3951 255.76 -52.8356 -418.932 -52.836 -260.864 GPRESSURE: 4967200 66.5347 26.9416 -364.072 59.993 283.134 -103.648 -233.903 -66.6676 -254.467 PRESSAVG: 4967200 -0.929503 -45.9924 -35.4635 -45.9924 6.57482 -2.11187 -35.4635 -2.11187 6.48044 GPRESSAVG: 4967200 -1.88999 -45.3442 -34.6784 -45.2206 5.39182 -0.304424 -33.2795 -3.2725 7.99253 TIMING: 4967200 CPU: 15711.6, 0.0031694/step Wall: 15711.6, 0.0031694/step, 0.0288768 hours remaining, 236.859375 MB of memory in use. ENERGY: 4967200 4066.6558 20572.9947 14374.7041 234.2631 -203282.1461 2771.0972 0.0000 0.0000 52108.4464 -109153.9848 299.4680 -161262.4312 -108793.7909 299.6243 -2.9768 31.7339 761573.3229 4.0419 3.8315 PRESSURE: 4967400 -31.2461 -34.16 195.044 -34.159 -196.521 -179.944 195.044 -179.944 86.9682 GPRESSURE: 4967400 12.8699 -1.13557 245.959 -17.9652 -186.868 -289.849 48.387 -161.996 118.92 PRESSAVG: 4967400 24.0475 -34.8159 -26.4269 -34.8159 -23.1271 20.2538 -26.4269 20.2538 9.22274 GPRESSAVG: 4967400 23.619 -35.0109 -27.0813 -35.0716 -22.7093 20.4516 -26.5971 20.2519 8.99379 TIMING: 4967400 CPU: 15712.2, 0.00318857/step Wall: 15712.2, 0.00318857/step, 0.0288743 hours remaining, 236.859375 MB of memory in use. ENERGY: 4967400 4031.7862 20608.9829 14495.3587 249.7629 -203353.8532 2525.7070 0.0000 0.0000 52262.3380 -109179.9177 300.3524 -161442.2557 -108819.0658 299.8162 -46.9328 -18.3593 761855.0375 3.3810 3.3012 PRESSURE: 4967600 -204.376 124.819 151.589 124.819 -265.926 75.0833 151.588 75.0832 -328.097 GPRESSURE: 4967600 -289.415 144.34 111.724 117.343 -190.656 -21.0586 176.072 135.166 -208.829 PRESSAVG: 4967600 3.42118 -9.11386 -54.9107 -9.11388 19.6817 -63.9656 -54.9107 -63.9656 -8.12668 GPRESSAVG: 4967600 4.04362 -9.60335 -54.684 -9.28971 18.7238 -63.9814 -55.6059 -64.8277 -7.66404 TIMING: 4967600 CPU: 15712.8, 0.00318545/step Wall: 15712.8, 0.00318545/step, 0.0286691 hours remaining, 236.859375 MB of memory in use. ENERGY: 4967600 4037.7195 20708.0164 14496.2769 253.0618 -203010.2317 2443.6422 0.0000 0.0000 51959.0232 -109112.4919 298.6092 -161071.5151 -108748.7228 300.1969 -266.1329 -229.6334 762455.4168 4.9921 5.0344 PRESSURE: 4967800 -68.5298 -79.9063 147.622 -79.9064 161.179 -41.3282 147.622 -41.328 59.0089 GPRESSURE: 4967800 -31.2827 -61.2646 59.1031 -23.7805 205.499 -28.431 238.93 -98.8038 65.2731 PRESSAVG: 4967800 1.77081 -42.1576 10.842 -42.1576 -6.33811 -42.576 10.842 -42.576 -11.9841 GPRESSAVG: 4967800 -0.273178 -39.9326 10.3064 -41.9705 -3.97379 -43.2488 10.5481 -40.5494 -12.3164 TIMING: 4967800 CPU: 15713.5, 0.00317203/step Wall: 15713.5, 0.00317203/step, 0.028372 hours remaining, 236.859375 MB of memory in use. ENERGY: 4967800 3991.4504 20503.6135 14477.4385 261.3472 -203099.0512 2667.6496 0.0000 0.0000 52157.1787 -109040.3732 299.7480 -161197.5519 -108672.9386 299.4761 50.5527 79.8298 761817.2258 -5.5171 -5.5211 PRESSURE: 4968000 29.537 -4.62475 -162.128 -4.62461 -444.977 -20.0863 -162.128 -20.0845 -157.939 GPRESSURE: 4968000 44.3374 12.2343 -180.241 -4.94259 -402.914 -9.25089 -188.783 27.2457 -124.985 PRESSAVG: 4968000 0.666458 -40.8218 23.1031 -40.8217 20.0755 41.2065 23.1031 41.2066 9.86017 GPRESSAVG: 4968000 1.30719 -41.9553 23.5219 -41.8191 18.8557 42.004 24.5285 38.5007 10.0901 TIMING: 4968000 CPU: 15714.1, 0.00316425/step Wall: 15714.1, 0.00316425/step, 0.0281267 hours remaining, 236.859375 MB of memory 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 3948.6235 20640.3693 14502.3461 229.3866 -203134.0274 2436.1318 0.0000 0.0000 52239.0393 -109138.1308 300.2185 -161377.1701 -108764.1738 299.8375 -191.1263 -161.1872 761253.5276 10.2007 10.0843 PRESSURE: 4968200 -119.527 -65.2291 62.477 -65.2297 -179.94 46.7428 62.4767 46.7426 -138.61 GPRESSURE: 4968200 -95.2078 -3.64007 27.47 -70.9822 -54.6063 40.067 81.7987 181.852 -197.892 PRESSAVG: 4968200 4.20967 8.74281 34.6924 8.74282 -28.3338 -6.21245 34.6925 -6.21238 -6.0236 GPRESSAVG: 4968200 3.49804 7.64696 35.1434 8.07103 -27.9529 -6.32546 34.8104 -2.95058 -5.9474 TIMING: 4968200 CPU: 15714.7, 0.00315293/step Wall: 15714.7, 0.00315293/step, 0.0278509 hours remaining, 236.859375 MB of memory in use. ENERGY: 4968200 3969.2046 20598.0391 14504.1304 242.8852 -202879.3805 2472.8397 0.0000 0.0000 52174.0727 -108918.2088 299.8451 -161092.2814 -108557.8128 300.0723 -146.0257 -115.9022 762256.3905 -10.0493 -10.1341 LDB: ============= START OF LOAD BALANCING ============== 15727.3 LDB: ============== END OF LOAD BALANCING =============== 15727.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15727.3 LDB: ============= START OF LOAD BALANCING ============== 15727.6 LDB: Largest compute 7076 load 0.036371 is 18.6% of average load 0.195751 LDB: Average compute 0.004359 is 2.2% of average load 0.195751 LDB: TIME 15727.6 LOAD: AVG 0.195751 MAX 0.217616 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.055 MB LDB: TIME 15727.6 LOAD: AVG 0.195751 MAX 0.217616 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: TIME 15727.6 LOAD: AVG 0.195751 MAX 0.217616 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.055 MB LDB: ============== END OF LOAD BALANCING =============== 15727.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15727.6 PRESSURE: 4968400 324.623 -132.098 -142.28 -132.097 -7.95474 -198.039 -142.28 -198.039 -132.218 GPRESSURE: 4968400 335.005 -92.1796 -195.136 -68.9364 32.4369 -128.042 -70.7414 -223.802 -100.052 PRESSAVG: 4968400 10.0784 -71.8047 26.7458 -71.8047 -5.98442 6.24081 26.7459 6.24085 -24.846 GPRESSAVG: 4968400 11.0088 -71.595 25.7157 -70.1179 -6.54024 7.87722 25.3723 4.23613 -25.4288 TIMING: 4968400 CPU: 15715.4, 0.00322508/step Wall: 15715.4, 0.00322508/step, 0.028309 hours remaining, 236.675781 MB of memory in use. ENERGY: 4968400 4021.8802 20914.9842 14452.7190 241.3831 -203152.7198 2748.0888 0.0000 0.0000 52087.6932 -108685.9714 299.3487 -160773.6645 -108329.4753 300.2662 61.4836 89.1302 760806.8253 -6.9174 -6.9867 PRESSURE: 4968600 -46.6681 75.6677 103.021 75.6687 148.73 -133.035 103.021 -133.035 -220.259 GPRESSURE: 4968600 63.5336 202.77 141.163 85.5494 175.249 -162.012 205.33 -186.034 -263.661 PRESSAVG: 4968600 -10.7583 -18.8506 -10.9117 -18.8505 17.308 6.85773 -10.9117 6.85768 -7.49657 GPRESSAVG: 4968600 -7.94765 -19.0369 -10.4089 -19.075 15.4811 7.42961 -10.8455 7.43723 -8.23455 TIMING: 4968600 CPU: 15716, 0.0031638/step Wall: 15716, 0.0031638/step, 0.0275954 hours remaining, 236.746094 MB of memory in use. ENERGY: 4968600 4021.2145 20647.7477 14603.8288 253.4418 -203369.4393 2738.1212 0.0000 0.0000 52182.4443 -108922.6410 299.8932 -161105.0853 -108565.3861 300.5679 -39.3991 -8.2928 761253.9177 -0.3156 -0.2337 PRESSURE: 4968800 127.84 -79.7073 -303.043 -79.708 73.904 -137.497 -303.042 -137.497 -73.9681 GPRESSURE: 4968800 133.662 -50.5465 -250.488 2.99453 62.7763 -129.062 -179.521 -130.55 26.4738 PRESSAVG: 4968800 45.3543 -43.5444 65.5865 -43.5445 -41.9016 -25.1365 65.5866 -25.1365 12.0014 GPRESSAVG: 4968800 42.2846 -41.4404 67.6864 -43.4547 -40.8128 -26.2368 66.2714 -25.9448 13.8316 TIMING: 4968800 CPU: 15716.7, 0.00316613/step Wall: 15716.7, 0.00316613/step, 0.0274398 hours remaining, 236.746094 MB of memory in use. ENERGY: 4968800 4038.7295 20560.9589 14556.4749 257.8620 -203101.1367 2593.5448 0.0000 0.0000 52262.8031 -108830.7635 300.3550 -161093.5666 -108460.9086 300.0313 42.5921 74.3039 760947.1093 5.1514 5.1011 PRESSURE: 4969000 367.901 50.5745 114.449 50.5749 110.777 57.8389 114.448 57.8392 403.598 GPRESSURE: 4969000 388.003 5.51592 49.2283 33.7564 126.63 33.8437 59.4131 141.79 463.097 PRESSAVG: 4969000 21.2947 -7.23891 67.4392 -7.23888 35.2354 -54.5462 67.4392 -54.5462 22.3531 GPRESSAVG: 4969000 22.491 -9.24712 64.65 -7.67008 34.4141 -52.7463 68.4054 -54.1131 22.567 TIMING: 4969000 CPU: 15717.3, 0.00317689/step Wall: 15717.3, 0.00317689/step, 0.0273566 hours remaining, 237.003906 MB of memory in use. ENERGY: 4969000 3916.8193 20405.8984 14527.7689 276.2096 -203192.4716 2801.3073 0.0000 0.0000 52134.1128 -109130.3553 299.6155 -161264.4681 -108771.2257 299.9854 294.0920 325.9102 762208.3368 26.2944 26.4907 PRESSURE: 4969200 395.104 36.3434 53.8629 36.3435 -120.365 -127.334 53.8627 -127.333 -358.156 GPRESSURE: 4969200 416.784 18.7392 49.9777 77.2822 -149.625 -83.7045 67.7078 -270.428 -264.462 PRESSAVG: 4969200 -1.54458 -38.552 4.64618 -38.5519 16.6239 -26.4541 4.64612 -26.4541 14.9003 GPRESSAVG: 4969200 -1.591 -39.6072 6.67682 -37.4307 15.9687 -28.5833 2.81801 -26.5178 15.2142 TIMING: 4969200 CPU: 15717.9, 0.00317531/step Wall: 15717.9, 0.00317531/step, 0.0271665 hours remaining, 237.003906 MB of memory in use. ENERGY: 4969200 3979.9194 20447.3101 14506.8371 250.6829 -203123.5750 2517.8928 0.0000 0.0000 52409.1747 -109011.7579 301.1962 -161420.9326 -108652.8131 299.6688 -27.8057 0.8992 761207.0017 9.9932 9.8640 PRESSURE: 4969400 43.0547 -256.155 -260.062 -256.155 -41.8951 -62.2034 -260.062 -62.2051 338.649 GPRESSURE: 4969400 25.372 -274.952 -183.311 -285.225 65.136 75.8393 -92.7846 -117.251 334.765 PRESSAVG: 4969400 -32.4254 -130.838 9.60999 -130.838 19.8618 41.8245 9.61004 41.8245 -7.77625 GPRESSAVG: 4969400 -31.0231 -128.182 9.75369 -131.447 20.3406 42.5274 9.8785 43.3631 -9.92182 TIMING: 4969400 CPU: 15718.6, 0.00316348/step Wall: 15718.6, 0.00316348/step, 0.0268896 hours remaining, 237.003906 MB of memory in use. ENERGY: 4969400 3957.9898 20485.9071 14513.7383 251.6054 -203733.8323 2981.3786 0.0000 0.0000 52170.9642 -109372.2489 299.8272 -161543.2131 -109006.2126 299.5667 113.2695 141.7578 761634.2792 -6.7800 -6.8681 PRESSURE: 4969600 513.941 -0.991127 -152.172 -0.991524 235.113 239.21 -152.173 239.21 -167.601 GPRESSURE: 4969600 431.882 -53.9817 -98.9405 -54.8456 255.466 196.064 -159.017 192.892 -19.8646 PRESSAVG: 4969600 3.98697 -27.6972 -14.1526 -27.6972 41.2071 17.6511 -14.1526 17.6512 0.342899 GPRESSAVG: 4969600 2.90494 -29.5142 -13.603 -27.2937 41.5057 15.583 -13.6332 17.2578 1.47559 TIMING: 4969600 CPU: 15719.2, 0.00314289/step Wall: 15719.2, 0.00314289/step, 0.02654 hours remaining, 237.003906 MB of memory in use. ENERGY: 4969600 3978.3214 20628.0083 14514.3472 255.6604 -203315.6883 2629.9005 0.0000 0.0000 51953.3460 -109356.1045 298.5766 -161309.4505 -108998.3959 299.0602 193.8176 222.4944 761588.1172 15.1790 15.2954 PRESSURE: 4969800 -125.357 -100.221 148.242 -100.222 187.994 173.608 148.243 173.609 -327.082 GPRESSURE: 4969800 -103.394 -43.5029 42.5175 -40.6317 269.201 185.566 148.183 61.62 -358.716 PRESSAVG: 4969800 -60.1251 -18.1612 40.4572 -18.1612 71.522 32.4842 40.4572 32.4842 8.64844 GPRESSAVG: 4969800 -60.5249 -16.782 39.7869 -17.9102 71.8886 33.5562 40.2193 30.7868 8.29571 TIMING: 4969800 CPU: 15719.8, 0.00316196/step Wall: 15719.8, 0.00316196/step, 0.0265254 hours remaining, 237.003906 MB of memory in use. ENERGY: 4969800 4038.8112 20683.6091 14547.0677 233.0564 -203253.7796 2453.1953 0.0000 0.0000 51775.9351 -109522.1048 297.5570 -161298.0399 -109171.0584 299.3017 -88.1486 -64.3029 761172.4612 6.6818 6.5532 PRESSURE: 4970000 -256.445 -171.36 -191.816 -171.358 70.3578 -188.34 -191.816 -188.341 -271.384 GPRESSURE: 4970000 -218.795 -149.485 -158.262 -161.142 50.8867 -171.918 -264.68 -192.16 -201.051 PRESSAVG: 4970000 -31.3729 -65.5426 -10.7037 -65.5427 34.4052 -46.6341 -10.7037 -46.6342 2.70278 GPRESSAVG: 4970000 -31.752 -65.8425 -9.7901 -66.9463 33.6603 -46.1799 -12.8489 -46.9249 3.73233 TIMING: 4970000 CPU: 15720.5, 0.00315647/step Wall: 15720.5, 0.00315647/step, 0.0263039 hours remaining, 237.003906 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: 4970000 4008.4635 20468.4773 14463.6580 243.1371 -203080.9599 2541.8354 0.0000 0.0000 51822.9831 -109532.4054 297.8274 -161355.3886 -109176.4552 299.0213 -152.4903 -122.9866 761743.0869 1.9117 1.8802 PRESSURE: 4970200 -191.174 -73.62 -99.0976 -73.6197 -477.158 -26.0006 -99.0967 -26.0009 247.83 GPRESSURE: 4970200 -178.148 -111.657 -156.792 -92.3449 -383.518 37.7344 -63.2723 -53.0712 238.202 PRESSAVG: 4970200 -54.9086 -76.3032 8.06353 -76.3033 30.9546 -7.24171 8.06353 -7.24173 0.805973 GPRESSAVG: 4970200 -55.4074 -76.2678 6.39582 -76.6935 32.8491 -7.83134 10.2517 -5.86987 -0.519928 TIMING: 4970200 CPU: 15721.1, 0.00317103/step Wall: 15721.1, 0.00317103/step, 0.026249 hours remaining, 237.003906 MB of memory in use. ENERGY: 4970200 3880.2746 20491.0481 14458.2694 276.9128 -203381.7688 2614.6212 0.0000 0.0000 52231.6276 -109429.0152 300.1759 -161660.6427 -109062.1580 298.9928 -140.1676 -107.8217 762129.2519 -7.7160 -7.6927 PRESSURE: 4970400 -23.3802 209.997 129.46 209.996 -8.09553 -178.41 129.46 -178.41 151.325 GPRESSURE: 4970400 62.7363 134.944 222.038 237.284 -10.394 -143.755 59.268 -190.422 184.284 PRESSAVG: 4970400 38.7663 -37.6724 8.94361 -37.6724 -12.8801 -42.3528 8.94363 -42.3528 33.5064 GPRESSAVG: 4970400 39.2289 -37.708 10.3824 -36.657 -13.484 -41.0467 8.15316 -42.9465 33.7942 TIMING: 4970400 CPU: 15721.7, 0.00316196/step Wall: 15721.7, 0.00316196/step, 0.0259984 hours remaining, 237.003906 MB of memory in use. ENERGY: 4970400 3926.8428 20644.9315 14460.0275 278.6098 -203147.4942 2439.0877 0.0000 0.0000 52002.8997 -109395.0951 298.8614 -161397.9948 -109047.2681 299.3499 39.9498 78.8753 760576.4910 19.7975 19.8464 PRESSURE: 4970600 -329.318 -139.232 248.173 -139.232 -128.947 -216.964 248.173 -216.965 -274.412 GPRESSURE: 4970600 -202.903 -140.32 204.131 -108.099 -238.23 -163.167 214.101 -173.091 -205.613 PRESSAVG: 4970600 -63.0055 25.1227 40.6958 25.1227 15.9764 -6.68249 40.6958 -6.68249 6.61376 GPRESSAVG: 4970600 -63.2209 24.509 39.4345 24.089 14.6986 -8.42 43.2196 -6.05076 8.28259 TIMING: 4970600 CPU: 15722.4, 0.00319099/step Wall: 15722.4, 0.00319099/step, 0.0260597 hours remaining, 237.003906 MB of memory in use. ENERGY: 4970600 3984.4464 20475.1228 14403.0570 229.3217 -203073.1638 2300.4756 0.0000 0.0000 52219.5800 -109461.1603 300.1066 -161680.7403 -109097.1031 299.3468 -244.2255 -215.5821 760944.5413 -13.4718 -13.4133 PRESSURE: 4970800 -116.534 163.213 237.546 163.213 211.965 -24.6254 237.546 -24.6253 126.385 GPRESSURE: 4970800 -58.1674 149.834 185.035 158.817 192.132 -49.3267 150.314 -88.7027 171.357 PRESSAVG: 4970800 -11.0179 9.82778 36.7098 9.82781 -28.1697 -33.3116 36.7099 -33.3116 5.51119 GPRESSAVG: 4970800 -10.7537 6.70146 37.128 11.0571 -27.7348 -31.2622 34.2288 -34.0972 4.48874 TIMING: 4970800 CPU: 15723, 0.00316787/step Wall: 15723, 0.00316787/step, 0.0256949 hours remaining, 237.003906 MB of memory in use. ENERGY: 4970800 3946.0812 20486.0849 14442.5046 224.3429 -203857.5748 3055.0924 0.0000 0.0000 52125.8478 -109577.6210 299.5680 -161703.4689 -109210.6790 299.4119 73.9387 101.7738 760568.0457 -11.2255 -11.3332 PRESSURE: 4971000 -130.223 -49.613 63.0171 -49.6126 -167.34 -194.842 63.017 -194.842 -47.8873 GPRESSURE: 4971000 -76.5955 48.3394 -12.1263 58.225 -115.81 -152.965 138.855 -162.238 -54.9978 PRESSAVG: 4971000 4.68511 -11.281 4.59263 -11.2811 25.5615 -31.1758 4.59259 -31.1758 -28.6186 GPRESSAVG: 4971000 5.60818 -9.57604 4.74237 -10.3159 25.3128 -32.2548 4.23271 -30.9206 -28.9649 TIMING: 4971000 CPU: 15723.6, 0.0031829/step Wall: 15723.6, 0.0031829/step, 0.02564 hours remaining, 237.003906 MB of memory in use. ENERGY: 4971000 4008.9679 20448.2144 14457.4658 254.6577 -203305.9066 2403.4119 0.0000 0.0000 52126.2020 -109606.9869 299.5700 -161733.1889 -109235.0403 299.1493 -115.1499 -82.4677 760988.0778 0.5427 0.6520 PRESSURE: 4971200 241.468 -107.568 -209.489 -107.567 306.449 -175.669 -209.49 -175.669 46.4564 GPRESSURE: 4971200 236.575 -139.83 -140.391 -31.77 300.109 -139.273 -161.83 -175.561 139.625 PRESSAVG: 4971200 -16.0727 17.7463 7.64336 17.7463 -6.83359 -57.0547 7.64334 -57.0547 18.4798 GPRESSAVG: 4971200 -16.9679 19.2332 5.79886 16.7448 -6.567 -56.2214 8.00554 -55.4869 18.7415 TIMING: 4971200 CPU: 15724.3, 0.00315825/step Wall: 15724.3, 0.00315825/step, 0.025266 hours remaining, 237.003906 MB of memory in use. ENERGY: 4971200 3956.4566 20649.0937 14397.5406 250.1309 -203437.8335 2600.6276 0.0000 0.0000 52006.9641 -109577.0200 298.8847 -161583.9841 -109213.4386 299.0372 198.1245 225.4363 760590.5350 -1.4755 -1.5978 PRESSURE: 4971400 -202.014 193.273 71.7261 193.274 262.258 154.299 71.7257 154.299 -172.834 GPRESSURE: 4971400 -177.023 222.567 33.4078 46.3653 305.699 157.475 43.6585 137.531 -149.007 PRESSAVG: 4971400 -15.2392 -23.0001 29.4912 -23.0001 15.6252 -27.0014 29.4912 -27.0013 11.6588 GPRESSAVG: 4971400 -15.9407 -24.2408 30.475 -23.4292 15.6409 -28.6613 27.4739 -26.7166 12.3242 TIMING: 4971400 CPU: 15724.9, 0.00315161/step Wall: 15724.9, 0.00315161/step, 0.0250378 hours remaining, 237.003906 MB of memory in use. ENERGY: 4971400 3998.0333 20437.1322 14492.9507 252.5011 -203415.9975 2629.4839 0.0000 0.0000 52271.6505 -109334.2458 300.4059 -161605.8963 -108974.6892 299.3353 -37.5298 -6.7771 759617.0465 4.0149 4.0081 PRESSURE: 4971600 121.644 36.8765 -21.6929 36.8772 35.3699 100.022 -21.6928 100.023 69.6457 GPRESSURE: 4971600 300.136 -58.9766 -48.6278 1.45013 -30.3906 10.576 -72.0043 78.9405 57.663 PRESSAVG: 4971600 6.91375 -2.73381 40.9115 -2.73375 -28.5168 10.508 40.9115 10.5081 45.5475 GPRESSAVG: 4971600 8.51684 -3.81057 41.5351 -1.97177 -28.81 10.6546 42.8628 8.57905 44.067 TIMING: 4971600 CPU: 15725.5, 0.00316452/step Wall: 15725.5, 0.00316452/step, 0.0249646 hours remaining, 237.003906 MB of memory in use. ENERGY: 4971600 3927.0076 20703.1661 14402.4675 258.7091 -203306.9302 2678.2928 0.0000 0.0000 51958.0554 -109379.2317 298.6037 -161337.2871 -109016.5437 299.3918 75.5532 109.1363 760226.1443 7.9815 7.9246 PRESSURE: 4971800 -210.42 110.031 26.467 110.032 -119.858 -171.212 26.4671 -171.212 -84.6411 GPRESSURE: 4971800 -183.771 145.873 -23.1094 47.8572 -111.284 -131.298 13.9649 -17.1957 -54.3631 PRESSAVG: 4971800 49.0198 -20.6124 -12.1108 -20.6123 4.75349 -38.0567 -12.1108 -38.0568 -43.3928 GPRESSAVG: 4971800 48.5323 -20.6586 -13.0138 -20.8925 3.90316 -37.5259 -13.1815 -37.0078 -42.1525 TIMING: 4971800 CPU: 15726.2, 0.00316471/step Wall: 15726.2, 0.00316471/step, 0.0247902 hours remaining, 237.003906 MB of memory in use. ENERGY: 4971800 3963.8070 20623.7553 14474.1977 231.0967 -203377.6146 2605.6645 0.0000 0.0000 52159.8756 -109319.2177 299.7635 -161479.0932 -108960.8514 299.3368 -138.3064 -116.4725 761254.0980 3.4602 3.4277 PRESSURE: 4972000 266.198 -10.8041 92.1987 -10.8045 245.785 45.2034 92.1986 45.204 202.604 GPRESSURE: 4972000 341.028 2.06299 83.4752 90.7482 302.914 35.7129 113.202 10.2449 172.639 PRESSAVG: 4972000 5.58855 -39.2943 -34.1839 -39.2944 9.68851 -21.6467 -34.184 -21.6467 -6.19661 GPRESSAVG: 4972000 5.1328 -37.265 -32.5397 -39.5202 11.1211 -20.5776 -32.8677 -23.4036 -6.00574 TIMING: 4972000 CPU: 15726.8, 0.00316639/step Wall: 15726.8, 0.0031664/step, 0.0246275 hours remaining, 237.003906 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: 4972000 3969.8247 20704.0969 14495.4133 254.5974 -203647.3962 2865.9560 0.0000 0.0000 52119.7657 -109237.7422 299.5330 -161357.5079 -108888.8626 299.1795 238.1959 272.1937 760564.0742 3.0268 3.4161 PRESSURE: 4972200 211.516 1.56702 -124.205 1.56708 -385.886 -35.4662 -124.205 -35.4659 -135.132 GPRESSURE: 4972200 177.718 -3.52745 67.2221 -5.11824 -270.22 -4.41261 -25.4058 -13.0498 -123.357 PRESSAVG: 4972200 15.157 -15.7634 -22.568 -15.7634 -23.6728 14.8995 -22.568 14.8995 14.3635 GPRESSAVG: 4972200 16.4106 -17.5719 -24.2477 -15.9814 -23.7531 14.4273 -22.579 16.5537 12.664 TIMING: 4972200 CPU: 15727.4, 0.00317374/step Wall: 15727.4, 0.00317374/step, 0.0245083 hours remaining, 237.003906 MB of memory in use. ENERGY: 4972200 4022.9933 20631.8026 14450.1891 261.6317 -203311.0406 2643.2068 0.0000 0.0000 51932.2770 -109368.9402 298.4555 -161301.2171 -109012.0187 299.3039 -103.1676 -71.9531 762626.8776 1.9492 1.7739 LDB: ============= START OF LOAD BALANCING ============== 15740 LDB: ============== END OF LOAD BALANCING =============== 15740 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15740 LDB: ============= START OF LOAD BALANCING ============== 15740.3 LDB: Largest compute 7076 load 0.034469 is 17.6% of average load 0.195753 LDB: Average compute 0.004357 is 2.2% of average load 0.195753 LDB: TIME 15740.3 LOAD: AVG 0.195753 MAX 0.215262 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.102 MB LDB: TIME 15740.3 LOAD: AVG 0.195753 MAX 0.215262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: TIME 15740.3 LOAD: AVG 0.195753 MAX 0.215262 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.172 MB LDB: ============== END OF LOAD BALANCING =============== 15740.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15740.3 PRESSURE: 4972400 -292.844 22.3088 -75.3339 22.3093 -3.49827 160.866 -75.3337 160.865 -95.0867 GPRESSURE: 4972400 -242.762 52.4307 -83.8834 6.50337 14.9679 85.5192 36.767 93.4623 -68.3631 PRESSAVG: 4972400 53.4002 -2.75025 -31.3248 -2.75025 -54.5528 30.4727 -31.3248 30.4727 2.73747 GPRESSAVG: 4972400 52.4185 -0.700288 -31.8362 -2.86278 -54.0259 30.9097 -30.6206 29.6988 3.25601 TIMING: 4972400 CPU: 15728.1, 0.00324174/step Wall: 15728.1, 0.00324174/step, 0.0248534 hours remaining, 236.152344 MB of memory in use. ENERGY: 4972400 3988.6799 20580.5124 14505.4764 252.3551 -203629.4645 2742.1520 0.0000 0.0000 52091.7888 -109468.4998 299.3722 -161560.2886 -109106.8462 298.9896 -130.4763 -98.7191 761484.9359 0.5283 0.5495 PRESSURE: 4972600 -294.456 -172.367 -159.079 -172.366 -161.1 -20.514 -159.079 -20.5143 313.343 GPRESSURE: 4972600 -286.843 -156.696 -181.629 -223.129 -153.738 -107.039 -214.584 128.355 376.945 PRESSAVG: 4972600 19.3812 -9.8507 -26.6902 -9.85068 -55.0678 -44.2764 -26.6902 -44.2764 0.117063 GPRESSAVG: 4972600 20.3749 -13.3135 -26.0539 -7.87149 -56.6779 -44.8414 -27.2427 -44.0445 0.501328 TIMING: 4972600 CPU: 15728.7, 0.00317858/step Wall: 15728.7, 0.00317858/step, 0.0241925 hours remaining, 236.375000 MB of memory in use. ENERGY: 4972600 3993.0680 20457.4368 14541.3145 246.3336 -203463.9637 2833.2124 0.0000 0.0000 52073.1341 -109319.4642 299.2650 -161392.5983 -108949.1347 299.3054 -47.4046 -21.2124 763374.3692 -11.8565 -11.9339 PRESSURE: 4972800 12.8124 9.78425 93.92 9.78524 -381.537 47.1315 93.9208 47.1318 64.5964 GPRESSURE: 4972800 -113.424 8.08662 86.1903 -15.1185 -208.979 86.2389 87.2349 106.952 88.8887 PRESSAVG: 4972800 21.8027 -26.2099 1.41302 -26.2099 -5.9635 -46.4449 1.41295 -46.4449 26.5616 GPRESSAVG: 4972800 19.8236 -23.3528 0.817799 -28.0604 -4.66081 -46.2166 1.99962 -45.5031 26.6732 TIMING: 4972800 CPU: 15729.3, 0.00316043/step Wall: 15729.3, 0.00316043/step, 0.0238788 hours remaining, 236.375000 MB of memory in use. ENERGY: 4972800 4020.0815 20476.2603 14516.5768 264.0573 -203383.5269 2590.0686 0.0000 0.0000 52300.3335 -109216.1489 300.5707 -161516.4824 -108851.8256 299.3248 -101.3761 -77.8382 762007.9276 14.1336 13.9453 PRESSURE: 4973000 107.946 134.277 -340.201 134.277 -72.2861 -107.474 -340.201 -107.473 -258.849 GPRESSURE: 4973000 139.318 48.1469 -402.749 125.854 -94.1903 -113.726 -431.716 -13.833 -180.38 PRESSAVG: 4973000 19.7543 5.92133 -48.8743 5.9213 -12.1549 -29.9662 -48.8743 -29.9663 -16.604 GPRESSAVG: 4973000 21.5727 6.76558 -50.0809 7.01371 -12.5976 -28.9609 -49.045 -30.829 -17.5194 TIMING: 4973000 CPU: 15730, 0.00317913/step Wall: 15730, 0.00317913/step, 0.0238435 hours remaining, 236.375000 MB of memory in use. ENERGY: 4973000 3964.0582 20548.9964 14457.5281 255.1789 -203074.5726 2452.5414 0.0000 0.0000 52282.5881 -109113.6815 300.4688 -161396.2695 -108742.3238 299.8925 -74.3963 -45.0844 762603.2068 -3.0015 -2.8481 PRESSURE: 4973200 -437.553 -46.1665 25.2563 -46.166 -238.267 -194.414 25.2565 -194.413 -402.345 GPRESSURE: 4973200 -293.198 53.3126 -6.00473 -50.9951 -289.058 -171.856 108.492 -174.092 -386.707 PRESSAVG: 4973200 23.532 44.8471 -4.85774 44.8471 -28.8902 27.0175 -4.85778 27.0174 8.4457 GPRESSAVG: 4973200 22.394 43.1216 -3.19433 42.7562 -27.8314 26.8936 -6.81077 26.1123 8.75855 TIMING: 4973200 CPU: 15730.6, 0.00318323/step Wall: 15730.6, 0.00318323/step, 0.0236974 hours remaining, 236.386719 MB of memory in use. ENERGY: 4973200 3996.8406 20436.7021 14380.1725 223.5384 -202698.3564 2119.0875 0.0000 0.0000 52452.7423 -109089.2731 301.4466 -161542.0154 -108719.2050 299.8571 -359.3882 -322.9880 762852.0074 1.0292 1.1070 PRESSURE: 4973400 -94.0437 53.8399 -98.1795 53.8402 -244.98 -157.496 -98.1797 -157.495 -19.977 GPRESSURE: 4973400 -33.8542 73.5889 -98.5971 126.966 -210.513 -145.754 -89.4678 -207.564 -24.5402 PRESSAVG: 4973400 28.9758 21.435 21.7662 21.435 -50.8413 -60.5668 21.7661 -60.5668 -4.34415 GPRESSAVG: 4973400 30.0867 21.6761 21.191 21.5852 -52.0239 -60.4253 23.0925 -58.898 -4.1 TIMING: 4973400 CPU: 15731.2, 0.00317496/step Wall: 15731.2, 0.00317496/step, 0.0234595 hours remaining, 236.386719 MB of memory in use. ENERGY: 4973400 3962.5163 20382.9517 14528.5719 235.8327 -203126.2115 2543.7234 0.0000 0.0000 52489.2073 -108983.4082 301.6562 -161472.6156 -108623.2258 299.7179 -119.6670 -89.6358 762318.2213 -8.7365 -8.6790 PRESSURE: 4973600 -269.669 -32.0559 31.6864 -32.055 -134.524 0.735885 31.687 0.735289 -418.437 GPRESSURE: 4973600 -272.889 18.8171 -103.469 -101.307 -69.392 -7.71434 122.075 -6.28364 -411.393 PRESSAVG: 4973600 -6.36295 -44.7587 -44.9993 -44.7587 16.7894 -18.2147 -44.9993 -18.2148 -7.34047 GPRESSAVG: 4973600 -7.33649 -45.4578 -44.7164 -43.6792 15.9202 -20.4134 -44.5308 -16.8704 -6.26185 TIMING: 4973600 CPU: 15731.9, 0.00318037/step Wall: 15731.9, 0.00318037/step, 0.0233227 hours remaining, 236.589844 MB of memory in use. ENERGY: 4973600 3926.0690 20687.1208 14588.8146 258.4414 -202562.7157 2085.1836 0.0000 0.0000 51970.2957 -109046.7906 298.6740 -161017.0863 -108683.9270 299.7981 -274.2099 -251.2245 763425.9322 1.0286 0.7740 PRESSURE: 4973800 -336.603 118.588 -64.5317 118.587 -55.9171 -69.0162 -64.5323 -69.0164 -138.624 GPRESSURE: 4973800 -293.327 70.0624 -98.6428 10.6458 -41.3536 -90.8052 33.3127 -179.72 -101.744 PRESSAVG: 4973800 -24.5311 -11.6205 -48.532 -11.6205 24.6147 4.11096 -48.5319 4.11093 -20.8262 GPRESSAVG: 4973800 -24.0434 -10.4004 -49.2569 -12.0054 26.3281 5.11561 -49.0963 1.14089 -22.1915 TIMING: 4973800 CPU: 15732.5, 0.00317558/step Wall: 15732.5, 0.00317558/step, 0.0231112 hours remaining, 236.589844 MB of memory in use. ENERGY: 4973800 3857.6855 20603.5555 14501.5190 233.2014 -202731.6891 2186.4288 0.0000 0.0000 52202.4762 -109146.8227 300.0083 -161349.2989 -108782.6473 299.7306 -177.0480 -145.4747 764559.1766 -6.9142 -6.6356 PRESSURE: 4974000 -480.6 456 -252.862 456 207.984 -34.8806 -252.863 -34.8802 -249.939 GPRESSURE: 4974000 -393.56 367.182 -213.628 482.147 116.984 -69.2075 -130.322 -19.3741 -154.602 PRESSAVG: 4974000 -8.77882 25.3668 8.53489 25.3669 -6.11074 79.5805 8.53494 79.5805 -29.4134 GPRESSAVG: 4974000 -6.9994 23.0186 9.8684 25.2715 -7.98617 79.599 9.46126 80.6127 -28.4428 TIMING: 4974000 CPU: 15733.2, 0.00319033/step Wall: 15733.2, 0.00319033/step, 0.0230413 hours remaining, 236.589844 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: 4974000 3996.7379 20469.8803 14525.8136 242.9077 -203121.8015 2628.2009 0.0000 0.0000 52198.4418 -109059.8193 299.9852 -161258.2611 -108698.9960 299.5728 -174.1851 -143.7259 763040.9617 -14.7677 -14.4761 PRESSURE: 4974200 38.2307 127.906 217.55 127.907 35.9146 22.2294 217.551 22.2291 -251.125 GPRESSURE: 4974200 127.842 -28.6432 76.4169 125.622 23.2974 145.637 167.762 41.4864 -250.604 PRESSAVG: 4974200 -42.3832 -37.9588 -33.7258 -37.9588 54.5015 49.707 -33.7258 49.707 1.56334 GPRESSAVG: 4974200 -43.3929 -37.51 -33.4634 -37.2233 56.3375 49.8099 -34.0598 50.3254 0.750221 TIMING: 4974200 CPU: 15733.8, 0.0031971/step Wall: 15733.8, 0.0031971/step, 0.0229125 hours remaining, 236.589844 MB of memory in use. ENERGY: 4974200 4011.9872 20566.4360 14500.9639 229.1711 -202667.4722 2434.2043 0.0000 0.0000 52009.8227 -108914.8869 298.9012 -160924.7096 -108550.2440 299.5102 -58.9932 -33.1548 764312.5657 4.5605 4.5649 PRESSURE: 4974400 -226.029 -166.089 -123.348 -166.09 -162.057 -20.681 -123.347 -20.6829 -343.398 GPRESSURE: 4974400 -250.547 -263.044 -116.379 -177.421 -13.0176 28.3166 -147.079 -155.967 -384.205 PRESSAVG: 4974400 -19.7633 -50.0514 -0.380613 -50.0514 11.732 46.7909 -0.380615 46.791 -6.27053 GPRESSAVG: 4974400 -20.8799 -47.2632 -0.817006 -49.9285 11.899 45.2996 -1.52231 48.294 -5.83558 TIMING: 4974400 CPU: 15734.4, 0.00320954/step Wall: 15734.4, 0.00320954/step, 0.0228234 hours remaining, 236.589844 MB of memory in use. ENERGY: 4974400 4086.3454 20662.4134 14615.3475 252.9258 -203143.1946 2586.7725 0.0000 0.0000 51857.0577 -109082.3322 298.0232 -160939.3900 -108731.4620 299.7627 -243.8280 -215.9232 761712.6472 -4.7673 -4.9388 PRESSURE: 4974600 -278.36 97.6321 -98.0866 97.6335 -60.2249 122.254 -98.0857 122.254 170.14 GPRESSURE: 4974600 -171.942 -41.7264 -137.63 117.517 -26.1614 91.0002 -128.105 66.6982 123.58 PRESSAVG: 4974600 -9.9804 -57.0699 -15.1213 -57.0699 14.3954 22.0925 -15.1212 22.0925 5.03928 GPRESSAVG: 4974600 -9.09759 -61.6964 -14.1162 -57.6547 14.3387 25.2493 -15.5216 18.1541 5.24724 TIMING: 4974600 CPU: 15735.1, 0.00318712/step Wall: 15735.1, 0.00318712/step, 0.0224869 hours remaining, 236.589844 MB of memory in use. ENERGY: 4974600 3989.6666 20548.1553 14474.7408 259.3163 -203166.6577 2605.8581 0.0000 0.0000 52325.7421 -108963.1785 300.7168 -161288.9207 -108593.3329 299.9182 -56.1482 -24.8411 763539.5545 3.1514 3.4961 PRESSURE: 4974800 -128.768 -188.388 -8.04961 -188.387 184.546 -322.827 -8.05059 -322.827 -27.6501 GPRESSURE: 4974800 -117.14 -153.212 -12.1358 -162.654 241.142 -208.653 -130.315 -260.606 -3.20387 PRESSAVG: 4974800 -35.2705 -38.4715 2.09895 -38.4715 35.9689 14.072 2.09894 14.072 17.4495 GPRESSAVG: 4974800 -34.8374 -34.9377 -0.442592 -38.6648 35.1036 13.0072 4.09376 17.2618 18.0317 TIMING: 4974800 CPU: 15735.7, 0.00318191/step Wall: 15735.7, 0.00318191/step, 0.0222734 hours remaining, 236.589844 MB of memory in use. ENERGY: 4974800 4008.3473 20362.8840 14475.9519 220.0289 -203244.5726 2867.7134 0.0000 0.0000 52288.4412 -109021.2060 300.5024 -161309.6471 -108662.6738 300.0974 9.3759 40.2659 763847.6915 6.0493 6.0993 PRESSURE: 4975000 -254.689 -71.1821 123.005 -71.182 -446.963 -37.613 123.006 -37.613 -528.21 GPRESSURE: 4975000 -279.073 -73.1652 97.5076 -48.4754 -423.792 -7.13534 124.891 84.9141 -442.162 PRESSAVG: 4975000 20.7899 -15.581 -39.423 -15.581 -3.60929 27.6802 -39.4229 27.6802 6.20522 GPRESSAVG: 4975000 20.4926 -17.555 -36.9061 -14.0742 -2.53468 27.4167 -40.8419 27.056 5.4797 TIMING: 4975000 CPU: 15736.3, 0.00319003/step Wall: 15736.3, 0.00319003/step, 0.022153 hours remaining, 236.589844 MB of memory in use. ENERGY: 4975000 3997.7523 20416.6258 14484.9032 253.9033 -202597.6070 2259.7302 0.0000 0.0000 51989.5520 -109195.1401 298.7847 -161184.6921 -108841.1384 299.2507 -409.9541 -381.6754 764097.5273 7.7953 7.8125 PRESSURE: 4975200 -425.164 -205.759 192.974 -205.759 -155.236 36.6409 192.974 36.6416 -108.826 GPRESSURE: 4975200 -354.405 -155.314 154.551 -225.999 -167.688 -37.9858 196.377 115.062 -99.0489 PRESSAVG: 4975200 -10.0318 -8.71431 10.4013 -8.71432 -2.03864 55.8441 10.4013 55.8441 -17.0262 GPRESSAVG: 4975200 -9.82504 -7.50327 9.66917 -10.5 -2.32548 54.8586 11.3614 56.964 -17.1304 TIMING: 4975200 CPU: 15737, 0.0031617/step Wall: 15737, 0.0031617/step, 0.0217806 hours remaining, 236.589844 MB of memory in use. ENERGY: 4975200 4001.1349 20375.9954 14461.4145 228.7659 -203074.2539 2574.2989 0.0000 0.0000 52072.6996 -109359.9446 299.2625 -161432.6442 -108995.9657 298.5345 -229.7421 -207.0475 762696.9968 -9.6989 -9.7603 PRESSURE: 4975400 279.023 -280.485 94.3203 -280.485 102.518 8.06105 94.3202 8.06227 -469.848 GPRESSURE: 4975400 325.519 -411.524 61.4185 -182.649 56.5507 64.932 129.081 -122.852 -390.638 PRESSAVG: 4975400 -4.5845 -20.3109 -16.0821 -20.3109 -27.8389 -44.1017 -16.0821 -44.1017 -3.72645 GPRESSAVG: 4975400 -4.92134 -19.0045 -16.0102 -21.3536 -28.1613 -43.2638 -16.1934 -44.8011 -3.53859 TIMING: 4975400 CPU: 15737.6, 0.00316206/step Wall: 15737.6, 0.00316206/step, 0.0216074 hours remaining, 236.589844 MB of memory in use. ENERGY: 4975400 3920.2938 20382.7400 14464.9302 237.5815 -202689.5382 2400.2936 0.0000 0.0000 52024.3365 -109259.3627 298.9846 -161283.6991 -108886.4986 298.9748 -29.4354 -2.8563 762320.7056 -12.0500 -12.2071 PRESSURE: 4975600 -323.834 122.047 147.071 122.045 174.907 -68.959 147.072 -68.9597 -180.989 GPRESSURE: 4975600 -281.199 119.493 156.141 57.353 172.894 -14.7481 6.82355 -55.6895 -142.81 PRESSAVG: 4975600 -6.6004 -51.0064 -43.8276 -51.0064 16.0697 -8.73242 -43.8275 -8.73244 -6.66032 GPRESSAVG: 4975600 -7.56433 -51.0275 -44.2458 -49.9729 16.2743 -9.10916 -42.8979 -11.5328 -5.86568 TIMING: 4975600 CPU: 15738.2, 0.00315298/step Wall: 15738.2, 0.00315298/step, 0.0213702 hours remaining, 236.589844 MB of memory in use. ENERGY: 4975600 3902.0285 20472.4286 14501.0081 224.9115 -202599.7646 2186.3926 0.0000 0.0000 52033.4655 -109279.5298 299.0370 -161312.9953 -108920.0196 298.7415 -109.9720 -83.7051 762571.9384 0.9363 0.9481 PRESSURE: 4975800 -432.614 -238.942 -217.144 -238.942 -298.288 1.19673 -217.145 1.1975 -447.103 GPRESSURE: 4975800 -429.443 -187.922 -233.493 -194.723 -268.27 3.31418 -159.379 41.9437 -414.168 PRESSAVG: 4975800 10.6254 -42.5428 19.7039 -42.5428 -57.306 -44.9489 19.7039 -44.949 13.031 GPRESSAVG: 4975800 11.9747 -44.1017 19.5695 -42.1098 -58.2928 -44.2438 18.1867 -43.1232 13.0145 TIMING: 4975800 CPU: 15738.9, 0.00317352/step Wall: 15738.9, 0.00317352/step, 0.0213331 hours remaining, 236.589844 MB of memory in use. ENERGY: 4975800 4020.4828 20508.0461 14496.2944 250.4253 -202401.5783 2151.8316 0.0000 0.0000 51873.9556 -109100.5425 298.1203 -160974.4980 -108742.2629 298.9781 -392.6682 -370.6272 762298.3236 -11.2165 -11.1012 PRESSURE: 4976000 84.403 -1.70518 316.134 -1.7052 -241.952 96.4218 316.134 96.4205 383.454 GPRESSURE: 4976000 159.16 88.7283 314.951 -10.1698 -180.685 66.5605 387.498 236.506 346.225 PRESSAVG: 4976000 -14.4246 -35.3377 -39.1111 -35.3378 -32.1217 40.5457 -39.1111 40.5457 -3.80381 GPRESSAVG: 4976000 -13.9152 -34.8206 -37.9122 -35.9712 -32.3049 40.5851 -37.7761 41.7521 -4.3784 TIMING: 4976000 CPU: 15739.5, 0.00319035/step Wall: 15739.5, 0.00319035/step, 0.021269 hours remaining, 236.589844 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: 4976000 3926.8790 20382.2716 14487.2003 240.9306 -203348.8082 2908.0767 0.0000 0.0000 52233.4686 -109169.9814 300.1865 -161403.4500 -108803.7720 299.4499 75.3018 108.2332 760355.4778 -16.7834 -16.8662 PRESSURE: 4976200 -239.182 40.7198 -54.6653 40.7198 27.079 141.293 -54.6647 141.294 280.181 GPRESSURE: 4976200 -181.056 87.4882 -79.9157 78.1708 20.6106 119.551 -20.8152 337.333 324.268 PRESSAVG: 4976200 -22.6553 -17.6779 -3.3367 -17.678 21.2789 -2.98989 -3.33672 -2.9899 3.23942 GPRESSAVG: 4976200 -23.2338 -17.3961 -4.67861 -16.9817 22.2719 -3.82607 -1.6476 -3.04607 2.2024 TIMING: 4976200 CPU: 15740.1, 0.00315339/step Wall: 15740.1, 0.00315339/step, 0.0208474 hours remaining, 236.589844 MB of memory in use. ENERGY: 4976200 3947.5602 20298.6670 14445.9164 265.8343 -203187.8694 2825.6644 0.0000 0.0000 52233.2763 -109170.9509 300.1854 -161404.2271 -108811.9397 299.5143 22.6926 54.6074 762971.2724 0.6210 0.4135 LDB: ============= START OF LOAD BALANCING ============== 15752.7 LDB: ============== END OF LOAD BALANCING =============== 15752.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15752.7 LDB: ============= START OF LOAD BALANCING ============== 15753 LDB: Largest compute 7076 load 0.035992 is 18.4% of average load 0.195639 LDB: Average compute 0.004393 is 2.2% of average load 0.195639 LDB: TIME 15753 LOAD: AVG 0.195639 MAX 0.214524 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.219 MB LDB: TIME 15753 LOAD: AVG 0.195639 MAX 0.214524 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: TIME 15753 LOAD: AVG 0.195639 MAX 0.214524 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.422 MB LDB: ============== END OF LOAD BALANCING =============== 15753 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15753 PRESSURE: 4976400 -592.434 -306.368 -28.7428 -306.369 -96.607 -6.80173 -28.7421 -6.80274 -258.255 GPRESSURE: 4976400 -629.422 -230.032 1.15385 -208.535 -50.1014 16.0513 -14.0962 114.768 -198.368 PRESSAVG: 4976400 23.8937 -24.2316 26.1186 -24.2316 -38.0691 -2.45174 26.1187 -2.45167 0.240858 GPRESSAVG: 4976400 21.591 -25.9312 27.7221 -22.278 -37.1313 -2.58989 23.1811 -4.76382 1.96658 TIMING: 4976400 CPU: 15740.8, 0.00323038/step Wall: 15740.8, 0.00323038/step, 0.021177 hours remaining, 234.644531 MB of memory in use. ENERGY: 4976400 3968.4627 20465.3787 14481.6220 234.2626 -203238.2750 2590.9491 0.0000 0.0000 52132.8415 -109364.7584 299.6082 -161497.5999 -109007.2142 299.5510 -315.7655 -292.6306 763185.6092 -4.6448 -4.5246 PRESSURE: 4976600 -178.305 62.4491 119.587 62.4496 -356.318 -131.903 119.588 -131.903 4.76066 GPRESSURE: 4976600 -115.573 113.181 79.0888 92.6346 -260.768 -163.416 218.379 -184.738 -79.7266 PRESSAVG: 4976600 -29.4195 -32.5425 5.21898 -32.5426 60.2784 9.8616 5.21893 9.8616 -5.38441 GPRESSAVG: 4976600 -28.4327 -31.6417 4.46021 -34.6477 59.8379 9.20627 5.67659 9.83539 -6.28526 TIMING: 4976600 CPU: 15741.4, 0.00319581/step Wall: 15741.4, 0.00319581/step, 0.0207728 hours remaining, 234.683594 MB of memory in use. ENERGY: 4976600 4020.0493 20318.1088 14550.2995 265.7150 -202779.0317 2354.4854 0.0000 0.0000 51862.2340 -109408.1398 298.0530 -161270.3738 -109049.5146 298.8586 -176.6209 -152.0227 763486.3028 8.4915 8.3733 PRESSURE: 4976800 -91.4343 -55.4944 -70.76 -55.4942 -314.119 98.7727 -70.7595 98.7725 177.762 GPRESSURE: 4976800 -67.6765 40.4053 -111.445 -150.682 -171.512 111.879 -82.1795 202.72 88.4645 PRESSAVG: 4976800 -14.1421 -72.9873 -47.1368 -72.9874 4.33324 -11.3927 -47.1368 -11.3928 2.27444 GPRESSAVG: 4976800 -14.3387 -71.8023 -47.0875 -73.1207 4.32794 -11.3551 -46.469 -10.2065 2.04643 TIMING: 4976800 CPU: 15742.1, 0.00318448/step Wall: 15742.1, 0.00318448/step, 0.0205222 hours remaining, 234.683594 MB of memory in use. ENERGY: 4976800 4009.2394 20466.6491 14443.8234 238.4627 -203028.1165 2432.5818 0.0000 0.0000 52154.8056 -109282.5545 299.7344 -161437.3601 -108930.1399 299.1835 -75.9305 -50.2415 761450.2171 -2.5115 -2.6548 PRESSURE: 4977000 -171.305 -4.32665 -197.072 -4.32685 11.6479 -304.476 -197.071 -304.477 -69.789 GPRESSURE: 4977000 -20.6098 5.87703 -164.839 -210.442 -121.19 -297.273 -171.097 -264.878 0.521754 PRESSAVG: 4977000 -2.67782 -41.7503 -43.2456 -41.7502 11.8842 -26.5763 -43.2456 -26.5763 17.2463 GPRESSAVG: 4977000 -1.23226 -41.7084 -43.7728 -44.0165 9.41256 -27.5128 -43.3723 -25.9187 18.6035 TIMING: 4977000 CPU: 15742.7, 0.00316195/step Wall: 15742.7, 0.00316195/step, 0.0202014 hours remaining, 234.808594 MB of memory in use. ENERGY: 4977000 4023.5873 20473.5224 14480.3810 250.6491 -203194.9857 2541.8952 0.0000 0.0000 52122.6104 -109302.3402 299.5494 -161424.9506 -108943.4267 299.2890 -76.4821 -47.0927 761492.8467 8.8176 8.9279 PRESSURE: 4977200 29.1337 89.9912 43.2296 89.9912 264.605 -149.917 43.2288 -149.915 -306.445 GPRESSURE: 4977200 130.662 129.714 57.0022 110.829 245.049 -189.649 78.1176 -210.271 -282.648 PRESSAVG: 4977200 -6.88459 -47.4073 15.9073 -47.4073 20.4831 -6.08942 15.9073 -6.08944 14.1172 GPRESSAVG: 4977200 -7.07645 -48.6085 16.406 -45.0847 21.5787 -5.7062 17.444 -6.19183 13.3575 TIMING: 4977200 CPU: 15743.3, 0.00315308/step Wall: 15743.3, 0.00315308/step, 0.0199695 hours remaining, 234.808594 MB of memory in use. ENERGY: 4977200 3938.4134 20296.0872 14485.4491 252.9345 -202902.3025 2492.8488 0.0000 0.0000 52022.4397 -109414.1298 298.9737 -161436.5695 -109054.6751 299.1089 -4.2355 31.0211 760863.6025 9.2386 9.2866 PRESSURE: 4977400 60.7858 -124.439 129.272 -124.438 33.5621 -153.156 129.273 -153.155 -86.7713 GPRESSURE: 4977400 90.3881 -145.967 136.376 -82.5195 50.5867 -121.336 47.5786 0.54183 -36.9357 PRESSAVG: 4977400 -16.2503 -38.7982 81.0687 -38.7981 32.7782 -0.0322813 81.0687 -0.032288 23.7846 GPRESSAVG: 4977400 -16.4202 -38.5443 81.8562 -39.2757 34.1412 1.36934 79.8059 -2.10384 22.3198 TIMING: 4977400 CPU: 15744, 0.00316509/step Wall: 15744, 0.00316509/step, 0.0198697 hours remaining, 235.011719 MB of memory in use. ENERGY: 4977400 4022.3681 20515.4069 14447.2858 238.2365 -203336.4078 2783.6144 0.0000 0.0000 52015.5747 -109313.9213 298.9342 -161329.4960 -108955.0557 299.0252 2.5255 34.6797 762277.2423 13.4375 13.3469 PRESSURE: 4977600 -197.47 51.9513 -65.5236 51.9516 -113.782 60.9008 -65.5239 60.9012 -64.6693 GPRESSURE: 4977600 -89.8584 -78.8986 -63.8234 -113.245 -150.942 103.558 -156.397 51.5997 -32.5086 PRESSAVG: 4977600 -19.8462 2.01632 48.0322 2.01639 -29.8423 -21.6599 48.0322 -21.6599 0.554362 GPRESSAVG: 4977600 -19.5712 1.29852 46.8486 2.81776 -31.4877 -21.443 47.2439 -19.9612 1.5792 TIMING: 4977600 CPU: 15744.6, 0.00318953/step Wall: 15744.6, 0.00318953/step, 0.0198459 hours remaining, 235.011719 MB of memory in use. ENERGY: 4977600 4108.5598 20375.0062 14491.0333 238.2876 -203359.9605 2720.7394 0.0000 0.0000 51980.1274 -109446.2068 298.7305 -161426.3342 -109093.4038 298.9659 -125.3071 -91.1031 761161.6309 -16.3780 -16.4932 PRESSURE: 4977800 -164.156 -23.8011 116.691 -23.7997 -2.86971 263.592 116.692 263.592 -228.829 GPRESSURE: 4977800 -180.966 6.01556 160.227 -53.7611 -22.1097 233.739 182.863 157.831 -113.277 PRESSAVG: 4977800 -22.2333 -10.4641 -18.5617 -10.4641 21.8301 49.3323 -18.5616 49.3323 3.71202 GPRESSAVG: 4977800 -23.0519 -10.052 -17.8143 -10.1917 21.91 48.3848 -17.1918 48.4636 4.19302 TIMING: 4977800 CPU: 15745.2, 0.00318932/step Wall: 15745.2, 0.00318932/step, 0.0196675 hours remaining, 235.011719 MB of memory in use. ENERGY: 4977800 3900.2189 20407.3032 14541.1919 242.2750 -203284.8998 2724.4159 0.0000 0.0000 52125.9915 -109343.5035 299.5688 -161469.4950 -108981.7165 299.0584 -131.9516 -105.4508 761377.5051 1.1029 1.0170 PRESSURE: 4978000 -432.068 16.8309 -142.184 16.8317 -245.439 141.233 -142.184 141.233 96.6544 GPRESSURE: 4978000 -411.006 -13.145 -69.6453 -34.9801 -241.154 63.7497 -144.329 95.4216 150.365 PRESSAVG: 4978000 -27.2879 -66.0641 -4.51544 -66.0641 4.7347 -7.61709 -4.51546 -7.61705 -22.6189 GPRESSAVG: 4978000 -27.2927 -65.741 -4.20973 -68.4323 5.12524 -6.66383 -5.49209 -8.98439 -23.4246 TIMING: 4978000 CPU: 15745.9, 0.00318037/step Wall: 15745.9, 0.00318037/step, 0.0194356 hours remaining, 235.011719 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: 4978000 3985.5049 20533.9770 14494.9650 249.6340 -203141.6965 2206.0843 0.0000 0.0000 52282.6405 -109388.8909 300.4691 -161671.5314 -109017.6417 299.6798 -193.6175 -167.2649 761619.5301 -15.0573 -15.1974 PRESSURE: 4978200 18.6813 -4.22393 -42.5482 -4.22459 37.7862 -233.292 -42.5487 -233.292 214.621 GPRESSURE: 4978200 2.45226 7.65142 -59.0658 -35.793 121.552 -273.371 -61.1691 -46.2095 223.501 PRESSAVG: 4978200 -16.6927 -34.142 -58.8531 -34.142 53.8368 -37.9248 -58.8531 -37.9248 0.913357 GPRESSAVG: 4978200 -16.6298 -33.2505 -57.9925 -32.865 54.1076 -38.1984 -61.2021 -35.6688 0.320848 TIMING: 4978200 CPU: 15746.5, 0.00317679/step Wall: 15746.5, 0.00317679/step, 0.0192372 hours remaining, 235.011719 MB of memory in use. ENERGY: 4978200 3922.6451 20416.5473 14454.3409 230.0878 -203251.7275 2702.6765 0.0000 0.0000 52122.6745 -109402.7556 299.5497 -161525.4301 -109036.2139 299.0637 90.3627 115.8351 762886.2549 12.6858 12.5996 PRESSURE: 4978400 -383.503 -49.0515 91.527 -49.0511 -29.5577 51.1739 91.5272 51.1733 118.703 GPRESSURE: 4978400 -343.96 -32.8449 58.1601 -9.02167 -18.0477 79.5244 22.9117 16.975 126.26 PRESSAVG: 4978400 54.8121 -5.6784 63.7287 -5.67843 -93.5284 -13.6577 63.7287 -13.6577 -1.09643 GPRESSAVG: 4978400 55.0693 -6.59282 61.629 -6.04666 -93.6729 -14.8111 66.1533 -12.7939 -1.50621 TIMING: 4978400 CPU: 15747.1, 0.00317736/step Wall: 15747.1, 0.00317736/step, 0.0190641 hours remaining, 235.011719 MB of memory in use. ENERGY: 4978400 3993.9705 20585.7111 14571.6449 234.2454 -203818.1959 2912.4780 0.0000 0.0000 52040.6756 -109479.4705 299.0785 -161520.1461 -109117.0170 299.1136 -98.1192 -78.5826 765136.9621 -13.2709 -13.3700 PRESSURE: 4978600 96.024 -137.107 -149.338 -137.107 -194.11 2.41393 -149.337 2.41295 208.188 GPRESSURE: 4978600 10.2262 -138.397 -175.993 -112.49 -67.279 -64.8521 -91.8394 74.0584 251.915 PRESSAVG: 4978600 19.6807 -60.4669 -14.4404 -60.4669 -19.4444 -24.7359 -14.4405 -24.7358 17.9718 GPRESSAVG: 4978600 21.4135 -59.5397 -13.1759 -61.3068 -20.228 -24.6014 -16.4685 -25.5517 16.9179 TIMING: 4978600 CPU: 15747.8, 0.00317636/step Wall: 15747.8, 0.00317636/step, 0.0188817 hours remaining, 235.011719 MB of memory in use. ENERGY: 4978600 3941.3185 20531.1657 14502.8775 250.9534 -203353.3450 2526.8612 0.0000 0.0000 52137.9607 -109462.2080 299.6376 -161600.1687 -109095.7452 298.9560 36.7005 64.9540 763303.6231 6.0694 6.0345 PRESSURE: 4978800 183.348 -135.165 60.7757 -135.166 44.4673 144.242 60.7756 144.242 302.708 GPRESSURE: 4978800 129.576 -146.17 -32.5376 -36.0092 218.138 163.067 197.995 92.2159 276.176 PRESSAVG: 4978800 -29.651 -20.3671 -16.6 -20.3671 52.992 7.90032 -16.6001 7.90023 5.94338 GPRESSAVG: 4978800 -33.4252 -20.5415 -17.1621 -17.4048 55.3014 6.98393 -14.8784 11.0234 7.74422 TIMING: 4978800 CPU: 15748.4, 0.00319356/step Wall: 15748.4, 0.00319356/step, 0.0188065 hours remaining, 235.011719 MB of memory in use. ENERGY: 4978800 4040.6689 20592.2962 14499.0041 249.2997 -203832.8529 2979.7363 0.0000 0.0000 51961.6541 -109510.1936 298.6243 -161471.8477 -109155.8899 299.0397 176.8413 207.9634 762854.7667 9.7615 9.8735 PRESSURE: 4979000 -53.8312 74.9192 129.498 74.9198 117.94 -59.3167 129.499 -59.3171 -52.3497 GPRESSURE: 4979000 -83.8718 108.319 163.666 62.848 197.114 -10.5276 48.2609 -97.0451 -3.87539 PRESSAVG: 4979000 -29.8281 -51.3231 11.2457 -51.3232 37.7865 -6.37169 11.2457 -6.37171 11.6101 GPRESSAVG: 4979000 -28.0327 -51.1606 10.8533 -52.5178 36.9119 -4.93774 12.4236 -7.43026 11.0007 TIMING: 4979000 CPU: 15749.1, 0.00317479/step Wall: 15749.1, 0.00317479/step, 0.0185196 hours remaining, 235.011719 MB of memory in use. ENERGY: 4979000 4020.8512 20498.6592 14451.9464 241.6837 -203354.3469 2895.0251 0.0000 0.0000 51966.8232 -109279.3581 298.6540 -161246.1814 -108919.1094 299.3282 3.9197 36.4557 763356.0337 6.5228 6.6266 PRESSURE: 4979200 -23.6474 -219.249 -353.082 -219.248 45.4731 -57.6252 -353.083 -57.6248 -141.073 GPRESSURE: 4979200 62.5285 -164.813 -354.212 -239.481 19.4352 -140.722 -313.47 -20.0698 -130.44 PRESSAVG: 4979200 -52.2338 -6.51684 -43.5914 -6.51686 66.9935 19.2889 -43.5914 19.2888 1.0893 GPRESSAVG: 4979200 -51.9032 -5.28975 -41.8467 -8.30812 66.6644 19.5733 -45.9502 17.4979 1.26995 TIMING: 4979200 CPU: 15749.7, 0.00317371/step Wall: 15749.7, 0.00317371/step, 0.018337 hours remaining, 235.011719 MB of memory in use. ENERGY: 4979200 4046.1047 20565.2748 14540.6836 257.4871 -203695.5568 3013.0969 0.0000 0.0000 52193.7598 -109079.1497 299.9583 -161272.9095 -108713.2632 299.6500 -39.7490 -16.1588 760995.2004 5.2830 5.3437 PRESSURE: 4979400 -142.153 -129.501 -10.3892 -129.503 -103.542 -94.2336 -10.3894 -94.2341 -168.598 GPRESSURE: 4979400 -199.307 -127.253 -37.6682 10.0672 -22.7684 -81.7245 -154.783 12.5829 -111.938 PRESSAVG: 4979400 -28.203 -2.53847 -20.9242 -2.53843 -8.79394 7.56745 -20.9242 7.56745 -3.35166 GPRESSAVG: 4979400 -29.438 -1.02896 -23.004 -3.7676 -8.24586 9.11439 -20.0817 8.67168 -2.94411 TIMING: 4979400 CPU: 15750.3, 0.00317264/step Wall: 15750.3, 0.00317264/step, 0.0181545 hours remaining, 235.011719 MB of memory in use. ENERGY: 4979400 3982.2114 20413.0631 14511.8762 235.3563 -203130.2315 2588.1567 0.0000 0.0000 52164.0126 -109235.5552 299.7873 -161399.5678 -108871.7329 299.6940 -138.0977 -111.3380 762168.0977 -13.4495 -13.5427 PRESSURE: 4979600 -425.168 -15.5404 41.6549 -15.5401 -127.627 -23.9127 41.6546 -23.9118 -260.838 GPRESSURE: 4979600 -310.156 16.0221 57.148 -64.5869 -101.126 -27.2125 15.6041 -41.4276 -322.504 PRESSAVG: 4979600 -20.8344 -39.3204 -2.35295 -39.3203 33.4837 7.97325 -2.35288 7.97316 2.43495 GPRESSAVG: 4979600 -19.4381 -39.3107 -2.73187 -37.3296 31.981 6.33913 -1.06744 7.32628 2.65463 TIMING: 4979600 CPU: 15751, 0.00317443/step Wall: 15751, 0.00317443/step, 0.0179885 hours remaining, 235.011719 MB of memory in use. ENERGY: 4979600 3982.4486 20544.1183 14510.2683 242.4605 -203106.2223 2459.5893 0.0000 0.0000 52116.0670 -109251.2702 299.5118 -161367.3372 -108883.1279 299.5511 -271.2108 -244.5955 761970.3446 5.0281 5.0659 PRESSURE: 4979800 275.333 26.2675 -102.386 26.2689 153.001 42.8111 -102.386 42.8118 159.923 GPRESSURE: 4979800 290.445 8.50387 -95.4912 -56.2055 180.872 -45.9369 -131.507 58.6226 230.08 PRESSAVG: 4979800 -20.7065 -12.3766 17.8305 -12.3765 59.19 -31.4402 17.8305 -31.4401 16.1677 GPRESSAVG: 4979800 -20.2879 -14.1213 18.3976 -12.7022 58.8861 -32.2983 17.8557 -31.2253 16.4577 TIMING: 4979800 CPU: 15751.6, 0.00319824/step Wall: 15751.6, 0.00319824/step, 0.0179457 hours remaining, 235.011719 MB of memory in use. ENERGY: 4979800 3883.6655 20602.1673 14568.8294 243.5335 -203360.9355 2747.1199 0.0000 0.0000 52303.3450 -109012.2748 300.5880 -161315.6198 -108653.7238 299.7473 196.0855 233.7992 761040.0987 18.2171 18.3520 PRESSURE: 4980000 -368.272 77.1557 8.93729 77.1555 349.417 -263.962 8.93752 -263.963 -16.6345 GPRESSURE: 4980000 -331.446 60.0969 15.7515 139.965 405.784 -356.909 71.8977 -29.784 -49.2825 PRESSAVG: 4980000 6.12376 -45.4552 -62.822 -45.4552 39.6541 -28.4202 -62.822 -28.4202 12.2211 GPRESSAVG: 4980000 5.3912 -47.3455 -62.6384 -44.7707 41.2458 -27.7349 -63.1226 -28.3051 11.8182 TIMING: 4980000 CPU: 15752.2, 0.00319992/step Wall: 15752.2, 0.00319992/step, 0.0177773 hours remaining, 235.011719 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: 4980000 3989.5657 20680.4206 14471.7731 248.1584 -203096.7006 2585.2630 0.0000 0.0000 52108.8692 -109012.6506 299.4704 -161121.5198 -108654.7603 299.5664 -11.8297 8.3516 761709.3559 19.3330 19.4851 PRESSURE: 4980200 -93.2275 121.435 162.388 121.436 42.1109 -206.132 162.388 -206.132 185.049 GPRESSURE: 4980200 -148.697 113.374 277.269 163.661 83.0134 -140.867 97.0623 -194.998 292.007 PRESSAVG: 4980200 -52.1273 14.0381 24.1981 14.0382 -9.90331 4.12422 24.1981 4.12422 2.78004 GPRESSAVG: 4980200 -52.3467 16.3978 26.3913 14.2305 -9.9861 5.19388 23.7566 4.93128 2.97256 TIMING: 4980200 CPU: 15752.9, 0.00320215/step Wall: 15752.9, 0.00320215/step, 0.0176118 hours remaining, 235.011719 MB of memory in use. ENERGY: 4980200 3911.1994 20455.8269 14455.5760 249.7302 -203100.0898 2688.6986 0.0000 0.0000 52207.5958 -109131.4628 300.0378 -161339.0586 -108760.2137 300.0306 44.6441 75.4413 764382.0857 -19.7502 -19.7867 LDB: ============= START OF LOAD BALANCING ============== 15765.4 LDB: ============== END OF LOAD BALANCING =============== 15765.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15765.4 LDB: ============= START OF LOAD BALANCING ============== 15765.7 LDB: Largest compute 7059 load 0.034816 is 17.8% of average load 0.195703 LDB: Average compute 0.004376 is 2.2% of average load 0.195703 LDB: TIME 15765.7 LOAD: AVG 0.195703 MAX 0.220298 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.484 MB LDB: TIME 15765.7 LOAD: AVG 0.195703 MAX 0.220298 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.723 MB LDB: TIME 15765.7 LOAD: AVG 0.195703 MAX 0.217336 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.723 MB LDB: ============== END OF LOAD BALANCING =============== 15765.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15765.8 PRESSURE: 4980400 140.762 -21.7295 220.702 -21.7291 -32.8615 -57.4923 220.701 -57.4913 -101.866 GPRESSURE: 4980400 142.921 -115.69 215.407 117.147 -5.64713 -64.7402 145.339 -72.3713 -37.5673 PRESSAVG: 4980400 -19.8722 0.245612 0.160423 0.245531 75.3728 -36.6128 0.160422 -36.6128 -1.51234 GPRESSAVG: 4980400 -18.8633 -1.40935 -0.942497 0.16616 76.1204 -37.9127 1.03352 -36.13 -2.28832 TIMING: 4980400 CPU: 15753.5, 0.00326255/step Wall: 15753.5, 0.00326255/step, 0.0177628 hours remaining, 234.960938 MB of memory in use. ENERGY: 4980400 4038.1850 20552.2629 14557.9628 259.8264 -203314.2213 2749.6694 0.0000 0.0000 52040.9348 -109115.3800 299.0800 -161156.3148 -108746.8799 299.6521 2.0114 33.2354 761308.8606 17.9961 18.3229 PRESSURE: 4980600 -282.037 -46.4337 -69.7813 -46.4333 8.18722 -161.876 -69.7811 -161.877 42.5332 GPRESSURE: 4980600 -141.37 18.5461 -128.937 -53.8044 -51.1989 -148.785 -181.582 -235.564 47.908 PRESSAVG: 4980600 20.3529 -9.26412 -29.7811 -9.2642 -21.9503 -61.5958 -29.781 -61.5958 3.30211 GPRESSAVG: 4980600 19.6059 -7.97432 -30.2272 -10.8049 -22.2477 -61.2331 -31.9717 -63.2954 3.64088 TIMING: 4980600 CPU: 15754.2, 0.00320928/step Wall: 15754.2, 0.00320928/step, 0.0172944 hours remaining, 235.164062 MB of memory in use. ENERGY: 4980600 3876.1565 20548.1119 14527.0429 266.1490 -202826.3562 2445.5006 0.0000 0.0000 52156.1640 -109007.2313 299.7422 -161163.3954 -108639.4642 299.6124 -77.1054 -48.2202 762543.6739 0.5682 0.3331 PRESSURE: 4980800 -134.327 -195.646 -40.6755 -195.646 -101.306 64.2024 -40.6758 64.203 -227.995 GPRESSURE: 4980800 -161.965 -163.679 7.28998 -178.926 -6.54953 18.6355 -104.182 52.2414 -197.585 PRESSAVG: 4980800 -34.4608 5.80804 10.6371 5.80809 23.7473 -27.8653 10.6371 -27.8653 -4.89208 GPRESSAVG: 4980800 -33.5863 7.0684 11.3389 5.96003 23.5913 -26.3709 10.2675 -28.2213 -5.23441 TIMING: 4980800 CPU: 15754.8, 0.00319767/step Wall: 15754.8, 0.00319767/step, 0.0170543 hours remaining, 235.164062 MB of memory in use. ENERGY: 4980800 3955.4604 20463.8313 14527.2665 263.7134 -203085.4518 2606.2437 0.0000 0.0000 52335.3475 -108933.5888 300.7720 -161268.9364 -108556.7568 300.2493 -154.5426 -122.0332 762835.8409 -5.2018 -5.0765 PRESSURE: 4981000 -89.4671 -151.998 95.6985 -151.998 -49.8287 -25.6921 95.6984 -25.6919 159.46 GPRESSURE: 4981000 -132.23 -99.3595 21.2787 -121.955 16.398 -28.3253 82.1408 22.2849 192.277 PRESSAVG: 4981000 -11.6238 -5.91655 1.41692 -5.91653 -5.21784 -32.0809 1.41699 -32.0808 10.8114 GPRESSAVG: 4981000 -13.1661 -6.9201 -1.13931 -6.18525 -4.28181 -33.0129 5.3208 -30.4303 11.2294 TIMING: 4981000 CPU: 15755.5, 0.00317496/step Wall: 15755.5, 0.00317496/step, 0.0167567 hours remaining, 235.164062 MB of memory in use. ENERGY: 4981000 4008.2337 20540.1188 14459.0871 262.0403 -202762.9108 2384.8499 0.0000 0.0000 52051.5056 -109057.0754 299.1407 -161108.5810 -108702.4349 299.7967 6.7215 25.4816 762346.2679 -2.0101 -2.0728 PRESSURE: 4981200 -256.742 34.9961 -106.811 34.997 59.2122 -181.05 -106.81 -181.05 53.2798 GPRESSURE: 4981200 -217.525 -157.192 -104.98 -6.08357 129.65 -85.0091 -29.0202 -178.585 41.8861 PRESSAVG: 4981200 -29.7884 -25.8324 7.3228 -25.8324 19.0636 -65.6684 7.3228 -65.6684 -1.72914 GPRESSAVG: 4981200 -28.6771 -27.9675 8.30437 -23.1007 19.2364 -65.383 7.14575 -65.2507 -3.2847 TIMING: 4981200 CPU: 15756.1, 0.00319707/step Wall: 15756.1, 0.00319707/step, 0.0166958 hours remaining, 235.164062 MB of memory in use. ENERGY: 4981200 3952.1207 20533.5213 14521.0781 239.5334 -202830.9806 2377.2374 0.0000 0.0000 52237.8772 -108969.6124 300.2118 -161207.4897 -108600.5553 300.1088 -48.0832 -15.3296 762844.0744 -4.1513 -4.2418 PRESSURE: 4981400 114.417 12.4731 -2.40818 12.4734 399.405 297.025 -2.4086 297.024 248.425 GPRESSURE: 4981400 151.15 -28.0571 49.2765 -14.4663 322.318 386.586 5.28686 147.938 349.782 PRESSAVG: 4981400 41.876 24.0906 -12.9991 24.0906 -9.5052 40.4606 -12.9991 40.4606 -11.9646 GPRESSAVG: 4981400 40.8326 25.292 -12.3104 22.5264 -10.8986 40.2648 -11.8582 38.7796 -9.41679 TIMING: 4981400 CPU: 15756.7, 0.00319016/step Wall: 15756.7, 0.00319016/step, 0.0164825 hours remaining, 235.164062 MB of memory in use. ENERGY: 4981400 3954.0249 20446.3647 14458.0709 263.4013 -203017.0874 2532.5469 0.0000 0.0000 52296.3291 -109066.3496 300.5477 -161362.6787 -108692.5217 300.2094 254.0825 274.4168 761859.8932 6.8021 6.8391 PRESSURE: 4981600 -151.733 43.6256 -30.9516 43.6256 -220.318 -138.432 -30.9523 -138.431 -151.788 GPRESSURE: 4981600 -109.482 26.1156 -38.8099 69.5557 -308.241 -152.652 -49.7837 -180.712 -28.0325 PRESSAVG: 4981600 30.8836 24.0311 -38.4832 24.0312 41.4422 8.08761 -38.4832 8.08761 -3.51861 GPRESSAVG: 4981600 32.1207 25.8865 -39.7541 23.5577 41.2538 8.14564 -38.5847 7.74337 -4.1913 TIMING: 4981600 CPU: 15757.4, 0.00319356/step Wall: 15757.4, 0.00319356/step, 0.0163226 hours remaining, 235.164062 MB of memory in use. ENERGY: 4981600 4017.3738 20536.5055 14417.5587 276.0947 -202691.1018 2133.2806 0.0000 0.0000 51958.7192 -109351.5694 298.6075 -161310.2885 -108992.2317 299.6299 -174.6129 -148.5851 762395.6912 22.9357 23.0611 PRESSURE: 4981800 -99.0631 13.5244 174.946 13.5253 -171.008 -67.971 174.945 -67.9716 284.28 GPRESSURE: 4981800 -13.3684 57.7768 222.306 -19.9882 -114.46 -106.575 -36.122 -111.263 266.349 PRESSAVG: 4981800 40.6052 -19.7153 -26.9214 -19.7153 -3.05238 -39.649 -26.9215 -39.649 12.456 GPRESSAVG: 4981800 41.3394 -22.0984 -26.8333 -21.1674 -1.98506 -39.3325 -30.0057 -39.1062 11.2505 TIMING: 4981800 CPU: 15758, 0.00318996/step Wall: 15758, 0.00318996/step, 0.016127 hours remaining, 235.164062 MB of memory in use. ENERGY: 4981800 4020.8915 20512.8844 14485.3132 258.2832 -203024.3290 2489.2679 0.0000 0.0000 52206.9695 -109050.7193 300.0342 -161257.6888 -108701.6016 299.4709 4.7361 46.1737 763007.9539 16.6696 16.8683 PRESSURE: 4982000 -273.249 -106.733 -290.974 -106.733 -176.339 -123.08 -290.974 -123.08 113.849 GPRESSURE: 4982000 -316.496 73.733 -375.579 -109.189 -160.659 -43.7832 -177.194 -84.8462 241.43 PRESSAVG: 4982000 -38.7431 -46.8873 2.43327 -46.8874 -31.8156 -42.4338 2.43323 -42.4338 -2.50149 GPRESSAVG: 4982000 -40.2669 -46.4766 3.87802 -45.4989 -31.975 -42.632 4.04838 -43.4922 -1.00174 TIMING: 4982000 CPU: 15758.6, 0.00317205/step Wall: 15758.6, 0.00317205/step, 0.0158602 hours remaining, 235.164062 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: 4982000 4009.1709 20678.8883 14407.1947 234.8137 -202847.3536 2230.9301 0.0000 0.0000 52217.0539 -109069.3020 300.0921 -161286.3560 -108715.7871 299.6345 -111.9130 -78.5752 762395.9817 -24.3534 -24.4145 PRESSURE: 4982200 -209.404 -12.6724 -272.642 -12.6729 -44.558 45.1539 -272.641 45.1551 228.656 GPRESSURE: 4982200 -126.154 49.1048 -171.66 -70.9567 -68.9639 42.876 -294.545 -13.8725 240.493 PRESSAVG: 4982200 28.719 -67.4411 -4.37174 -67.441 -27.4098 -48.5835 -4.37173 -48.5836 4.09837 GPRESSAVG: 4982200 28.2965 -68.8782 -5.41719 -67.393 -26.6886 -49.5941 -2.77725 -45.9145 3.36825 TIMING: 4982200 CPU: 15759.3, 0.00316896/step Wall: 15759.3, 0.00316896/step, 0.0156687 hours remaining, 235.164062 MB of memory in use. ENERGY: 4982200 4004.6051 20308.4409 14410.0270 242.7791 -203168.0191 2686.3039 0.0000 0.0000 52203.1341 -109312.7291 300.0121 -161515.8632 -108950.6444 299.1275 -8.4355 15.1250 760080.5684 1.8025 1.6587 PRESSURE: 4982400 -244.714 -195.414 158.262 -195.414 113.558 -115.879 158.262 -115.879 346.407 GPRESSURE: 4982400 -148.065 -197.572 128.366 -208.833 90.75 -92.98 133.353 -49.2583 364.862 PRESSAVG: 4982400 16.64 -58.5422 -4.91627 -58.5421 -46.8277 -14.1228 -4.91632 -14.1228 -3.0751 GPRESSAVG: 4982400 18.2092 -57.5681 -4.25063 -58.7576 -48.0786 -12.6075 -6.20088 -14.8306 -2.90784 TIMING: 4982400 CPU: 15759.9, 0.00316735/step Wall: 15759.9, 0.00316735/step, 0.0154848 hours remaining, 235.164062 MB of memory in use. ENERGY: 4982400 3992.1866 20527.6222 14420.5941 252.3952 -203493.0767 2706.5433 0.0000 0.0000 52209.7477 -109383.9875 300.0501 -161593.7352 -109013.8732 299.7957 71.7504 102.5157 761685.1811 -11.0876 -10.9257 PRESSURE: 4982600 117.413 -16.9441 252.309 -16.945 466.859 213.011 252.309 213.011 316.518 GPRESSURE: 4982600 66.0868 -94.4035 245.879 -31.2071 552.639 202.308 116.974 48.507 379.125 PRESSAVG: 4982600 -42.9845 -55.2505 70.327 -55.2506 73.2859 1.58161 70.327 1.58153 6.35353 GPRESSAVG: 4982600 -44.0384 -54.3257 70.6831 -53.3854 74.3622 -0.732488 69.1743 1.07787 6.55889 TIMING: 4982600 CPU: 15760.5, 0.0031756/step Wall: 15760.5, 0.0031756/step, 0.0153487 hours remaining, 235.164062 MB of memory in use. ENERGY: 4982600 4048.8659 20621.7818 14439.0265 234.8768 -203374.9138 2549.9163 0.0000 0.0000 52186.1075 -109294.3390 299.9143 -161480.4465 -108931.6074 299.6968 300.2632 332.6169 761685.9202 12.2183 12.2942 PRESSURE: 4982800 52.1647 -7.74426 -262.228 -7.74444 38.5126 -106.981 -262.227 -106.98 -304.989 GPRESSURE: 4982800 46.5536 -45.225 -316.265 74.3699 92.1807 -124.731 -246.684 -22.5428 -264.138 PRESSAVG: 4982800 9.0654 -19.659 20.828 -19.6589 -35.0939 21.5643 20.828 21.5644 -21.817 GPRESSAVG: 4982800 11.1474 -20.6314 21.2687 -20.9465 -36.3782 21.9262 20.8836 22.304 -22.0675 TIMING: 4982800 CPU: 15761.2, 0.00318785/step Wall: 15761.2, 0.00318785/step, 0.0152308 hours remaining, 235.164062 MB of memory in use. ENERGY: 4982800 3954.9104 20589.7932 14439.9573 253.7794 -203238.4779 2444.3117 0.0000 0.0000 52203.1012 -109352.6246 300.0119 -161555.7258 -108986.3941 299.5663 -71.4371 -41.8013 760422.6876 -15.9485 -15.7661 PRESSURE: 4983000 -75.7109 -137.431 69.407 -137.432 -122.825 14.5101 69.4078 14.5102 -337.308 GPRESSURE: 4983000 -31.7032 -44.5508 121.733 -174.745 -96.4848 92.4013 5.90119 88.3805 -330.143 PRESSAVG: 4983000 -15.371 -64.8192 13.6621 -64.8192 37.9459 43.3007 13.6621 43.3007 7.07189 GPRESSAVG: 4983000 -15.7161 -65.0644 12.5071 -65.6882 38.0735 43.824 13.5563 43.6898 7.20093 TIMING: 4983000 CPU: 15761.8, 0.00319327/step Wall: 15761.8, 0.00319327/step, 0.0150793 hours remaining, 235.164062 MB of memory in use. ENERGY: 4983000 3960.7504 20596.7638 14488.9055 244.1045 -203131.7056 2147.2374 0.0000 0.0000 52536.3884 -109157.5556 301.9273 -161693.9440 -108799.8705 299.8413 -178.6146 -152.7772 760740.6440 9.8823 9.8528 PRESSURE: 4983200 161.87 20.0195 110.59 20.0195 51.2612 -202.304 110.59 -202.303 120.884 GPRESSURE: 4983200 117.924 21.1637 172.59 36.9393 49.569 -184.671 53.2523 -243.378 233.88 PRESSAVG: 4983200 3.85667 24.5833 4.29644 24.5833 23.4119 -66.8243 4.29641 -66.8242 -5.90174 GPRESSAVG: 4983200 2.14543 24.7861 4.11374 24.7927 23.9614 -65.9808 5.16442 -68.1741 -4.17951 TIMING: 4983200 CPU: 15762.5, 0.00320111/step Wall: 15762.5, 0.00320111/step, 0.0149385 hours remaining, 235.164062 MB of memory in use. ENERGY: 4983200 3973.7981 20594.5927 14557.6518 229.4546 -203707.7834 2798.9159 0.0000 0.0000 52192.4500 -109360.9203 299.9507 -161553.3703 -109008.5508 300.0787 111.3384 133.7912 759474.4242 7.1223 7.3091 PRESSURE: 4983400 -250.981 48.0083 82.5658 48.0084 -3.42721 -22.1204 82.5664 -22.1198 -213.176 GPRESSURE: 4983400 -180.514 -33.3964 38.0968 -41.6606 94.9486 -80.6077 179.981 -116.854 -277.79 PRESSAVG: 4983400 -35.8241 -18.8497 48.0726 -18.8496 7.83546 14.7575 48.0725 14.7575 -12.7673 GPRESSAVG: 4983400 -35.1301 -18.2212 48.5442 -19.7847 8.06993 14.9992 47.6706 13.8593 -13.6794 TIMING: 4983400 CPU: 15763.1, 0.00318614/step Wall: 15763.1, 0.00318614/step, 0.0146916 hours remaining, 235.164062 MB of memory in use. ENERGY: 4983400 4011.0897 20602.2681 14465.3320 238.0347 -203248.9466 2578.7276 0.0000 0.0000 52115.4791 -109238.0154 299.5084 -161353.4945 -108882.3129 299.9387 -155.8613 -121.1186 762235.7573 -13.5853 -13.5799 PRESSURE: 4983600 94.0383 9.26098 -176.729 9.2601 -111.269 -124.05 -176.728 -124.051 -79.594 GPRESSURE: 4983600 138.777 103.34 -131.646 68.9258 -117.546 -231.123 -104.392 -52.6071 -24.5555 PRESSAVG: 4983600 19.1354 -5.00468 13.0279 -5.00476 -50.8477 12.729 13.0279 12.7291 -25.1035 GPRESSAVG: 4983600 20.3334 -3.56711 12.7305 -4.84302 -52.424 10.7017 13.889 13.5671 -24.1548 TIMING: 4983600 CPU: 15763.7, 0.00319903/step Wall: 15763.7, 0.00319903/step, 0.0145734 hours remaining, 235.164062 MB of memory in use. ENERGY: 4983600 4019.9598 20563.8524 14444.1279 257.8477 -203666.3796 2780.8583 0.0000 0.0000 52366.3578 -109233.3757 300.9502 -161599.7334 -108867.9685 299.7810 -32.2749 -1.1083 758830.6457 -18.9386 -18.7484 PRESSURE: 4983800 -235.139 99.7364 122.243 99.7352 225.501 191.161 122.244 191.162 -98.6492 GPRESSURE: 4983800 -170.911 27.3954 20.0978 127.79 268.801 150.636 65.9522 199.072 -118.997 PRESSAVG: 4983800 20.8462 12.5873 47.3403 12.5872 -31.7888 63.6053 47.3403 63.6054 -12.7687 GPRESSAVG: 4983800 20.329 10.8357 48.53 13.3441 -30.3598 67.3522 47.0656 61.8992 -13.8105 TIMING: 4983800 CPU: 15764.4, 0.00318603/step Wall: 15764.4, 0.00318603/step, 0.0143372 hours remaining, 235.164062 MB of memory in use. ENERGY: 4983800 4058.3661 20409.5838 14472.5995 255.5461 -203251.9718 2598.9621 0.0000 0.0000 52284.2513 -109172.6630 300.4783 -161456.9143 -108799.2989 299.8123 -36.0957 -7.0357 761563.6565 -7.9038 -7.9471 PRESSURE: 4984000 -48.402 -60.7434 41.5659 -60.7428 -180.358 24.3033 41.5656 24.3035 51.7146 GPRESSURE: 4984000 43.6308 -39.5217 57.292 2.2186 -225.383 26.7375 30.1604 -30.5223 96.344 PRESSAVG: 4984000 1.54353 1.36221 64.5309 1.36226 -8.16791 -4.69977 64.5309 -4.6998 -16.1556 GPRESSAVG: 4984000 0.862264 1.56555 65.9113 0.909938 -8.3106 -6.24004 63.1766 -3.77533 -15.6084 TIMING: 4984000 CPU: 15765, 0.00318065/step Wall: 15765, 0.00318065/step, 0.0141362 hours remaining, 235.164062 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: 4984000 3956.5151 20545.9321 14478.6993 253.0343 -203220.3087 2409.4043 0.0000 0.0000 52247.5657 -109329.1580 300.2675 -161576.7237 -108967.2421 299.8287 -59.0151 -28.4694 761656.7637 -7.5933 -7.6856 PRESSURE: 4984200 -29.3377 -71.1506 64.0191 -71.1504 53.2789 -10.9934 64.0193 -10.9935 -166.057 GPRESSURE: 4984200 107.686 63.466 3.44174 -61.7599 63.5882 70.6751 121.471 162.124 -220.752 PRESSAVG: 4984200 -5.90751 -13.4598 100.166 -13.4599 53.7221 7.51652 100.166 7.51658 30.0565 GPRESSAVG: 4984200 -4.56232 -13.1523 98.8126 -12.153 53.4189 7.35249 99.7165 6.66894 29.6475 TIMING: 4984200 CPU: 15765.6, 0.00319369/step Wall: 15765.6, 0.00319369/step, 0.0140167 hours remaining, 235.164062 MB of memory in use. ENERGY: 4984200 3899.3593 20653.9645 14493.4154 258.2628 -203082.4743 2432.1432 0.0000 0.0000 51977.7996 -109367.5294 298.7171 -161345.3290 -109003.8069 299.7813 -47.3720 -16.4929 760891.1215 25.9570 26.1681 LDB: ============= START OF LOAD BALANCING ============== 15778.2 LDB: ============== END OF LOAD BALANCING =============== 15778.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15778.2 LDB: ============= START OF LOAD BALANCING ============== 15778.5 LDB: Largest compute 7076 load 0.036166 is 18.5% of average load 0.195596 LDB: Average compute 0.004383 is 2.2% of average load 0.195596 LDB: TIME 15778.5 LOAD: AVG 0.195596 MAX 0.213953 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.457 MB LDB: TIME 15778.5 LOAD: AVG 0.195596 MAX 0.213953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: TIME 15778.5 LOAD: AVG 0.195596 MAX 0.213953 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.457 MB LDB: ============== END OF LOAD BALANCING =============== 15778.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15778.5 PRESSURE: 4984400 -457.306 140.897 240.708 140.896 138.402 -106.47 240.708 -106.471 -291.255 GPRESSURE: 4984400 -476.431 113.297 215.997 189.693 183.115 -85.7147 242.97 -166.928 -208.05 PRESSAVG: 4984400 -28.3071 14.3286 44.6146 14.3286 52.8667 -46.3736 44.6145 -46.3735 -3.98804 GPRESSAVG: 4984400 -29.8654 12.7293 44.7665 15.773 53.089 -46.9904 44.8988 -44.6725 -2.25214 TIMING: 4984400 CPU: 15766.3, 0.00325118/step Wall: 15766.3, 0.00325118/step, 0.0140884 hours remaining, 235.652344 MB of memory in use. ENERGY: 4984400 4046.6032 20662.3958 14462.2732 249.2132 -203087.8042 2302.9827 0.0000 0.0000 51912.6250 -109451.7110 298.3426 -161364.3360 -109093.3576 299.4908 -203.3861 -167.1219 762979.4022 6.8572 6.9905 PRESSURE: 4984600 29.1044 -181.667 17.03 -181.667 105.828 -51.0682 17.0311 -51.0686 173.971 GPRESSURE: 4984600 116.156 -207.954 -2.77917 -210.844 163.058 13.5487 24.547 -132.858 117.173 PRESSAVG: 4984600 -4.00951 -39.8617 6.44906 -39.8617 36.8018 -12.5448 6.4491 -12.5449 20.3178 GPRESSAVG: 4984600 -3.04624 -37.7565 4.89626 -42.8433 36.124 -11.4953 7.57561 -15.2822 19.6421 TIMING: 4984600 CPU: 15766.9, 0.0031802/step Wall: 15766.9, 0.0031802/step, 0.0136042 hours remaining, 235.652344 MB of memory in use. ENERGY: 4984600 3997.5593 20514.4216 14469.9010 239.3116 -203732.3839 2849.9136 0.0000 0.0000 52089.6809 -109571.5959 299.3601 -161661.2769 -109200.3075 298.7553 102.9677 132.1290 761691.7795 17.7034 17.5733 PRESSURE: 4984800 -195.015 -52.6105 133.359 -52.6099 194.203 231.522 133.359 231.522 -643.364 GPRESSURE: 4984800 -36.033 -133.928 70.0506 -58.0139 109.139 151.693 67.5257 196.236 -608.677 PRESSAVG: 4984800 -26.2605 -40.5152 -0.447527 -40.5152 89.8918 17.6633 -0.447552 17.6633 -8.60945 GPRESSAVG: 4984800 -26.231 -41.8387 0.205029 -39.5196 90.0131 16.5724 -0.946614 19.7047 -8.4329 TIMING: 4984800 CPU: 15767.6, 0.00318048/step Wall: 15767.6, 0.00318048/step, 0.0134287 hours remaining, 235.652344 MB of memory in use. ENERGY: 4984800 4003.0517 20559.9615 14439.2485 267.9992 -203468.4080 2714.2751 0.0000 0.0000 51904.3900 -109579.4819 298.2952 -161483.8719 -109221.3953 298.9989 -214.7255 -178.5237 762755.2010 18.3406 18.4497 PRESSURE: 4985000 -252.961 133.46 -88.259 133.461 391.185 6.8758 -88.2589 6.87637 -28.9461 GPRESSURE: 4985000 -64.8983 115.108 -72.9272 3.50113 325.164 -114.201 -71.8941 148.806 -56.5389 PRESSAVG: 4985000 -21.816 -68.0831 31.7699 -68.0831 40.4423 23.5491 31.7699 23.5491 10.241 GPRESSAVG: 4985000 -20.5373 -67.4646 31.6349 -69.4336 40.2803 23.883 33.0694 23.619 9.66514 TIMING: 4985000 CPU: 15768.2, 0.00318167/step Wall: 15768.2, 0.00318167/step, 0.013257 hours remaining, 235.652344 MB of memory in use. ENERGY: 4985000 3948.6771 20559.1172 14443.5705 260.5958 -203399.1362 2596.1592 0.0000 0.0000 51842.1469 -109748.8696 297.9375 -161591.0165 -109380.4137 298.7209 36.4259 67.9091 760614.3424 9.6224 9.8027 PRESSURE: 4985200 -276.122 -101.732 35.5595 -101.731 -287.805 -20.1065 35.5593 -20.107 154.737 GPRESSURE: 4985200 -249.391 -30.5954 -73.1502 -58.5609 -276.794 58.886 8.75181 -13.5948 197.233 PRESSAVG: 4985200 43.426 -9.82021 50.515 -9.82026 -40.9035 34.9097 50.5149 34.9097 -13.8444 GPRESSAVG: 4985200 41.3812 -5.95472 49.4609 -8.9622 -39.3075 34.8528 49.6236 35.1803 -13.7267 TIMING: 4985200 CPU: 15768.8, 0.0032/step Wall: 15768.8, 0.0032/step, 0.0131556 hours remaining, 235.652344 MB of memory in use. ENERGY: 4985200 3958.3715 20411.0202 14427.5684 262.2340 -203136.0568 2494.8039 0.0000 0.0000 52011.5809 -109570.4780 298.9113 -161582.0589 -109200.9160 298.5332 -136.3968 -109.6506 763167.8284 -3.7740 -3.8844 PRESSURE: 4985400 -207.412 130.535 -27.6287 130.534 -63.3324 -92.2968 -27.6281 -92.2956 63.8331 GPRESSURE: 4985400 -136.252 81.2505 -34.291 224.621 -61.2532 -86.0835 -36.6378 -128.957 74.7365 PRESSAVG: 4985400 -34.6152 34.2414 -22.5682 34.2414 32.0549 -11.3907 -22.5682 -11.3908 5.05513 GPRESSAVG: 4985400 -34.3746 29.7747 -20.294 34.6127 31.4172 -11.2736 -24.2645 -11.8256 5.72452 TIMING: 4985400 CPU: 15769.5, 0.003169/step Wall: 15769.5, 0.003169/step, 0.0128521 hours remaining, 235.652344 MB of memory in use. ENERGY: 4985400 3996.6518 20569.7435 14445.5724 252.7494 -203577.2578 2718.2013 0.0000 0.0000 51992.2411 -109602.0982 298.8001 -161594.3393 -109246.3680 298.6484 -68.9703 -40.9229 762733.3648 0.8316 0.9224 PRESSURE: 4985600 255.353 275.838 243.307 275.838 -55.6271 86.0973 243.307 86.0962 -49.2367 GPRESSURE: 4985600 253.583 246.91 216.619 222.859 14.199 81.3429 123.316 132.61 -36.1698 PRESSAVG: 4985600 -5.37261 16.7091 20.573 16.7091 10.9122 34.9379 20.5731 34.9379 22.378 GPRESSAVG: 4985600 -4.50807 16.2 19.7496 17.8891 10.0715 35.4333 22.5099 33.1544 23.091 TIMING: 4985600 CPU: 15770.1, 0.00316879/step Wall: 15770.1, 0.00316879/step, 0.0126752 hours remaining, 235.652344 MB of memory in use. ENERGY: 4985600 3942.6899 20608.5471 14471.9386 257.0373 -203457.5379 2838.7446 0.0000 0.0000 51935.4416 -109403.1388 298.4737 -161338.5804 -109038.3639 298.9171 50.1630 77.2040 761954.5064 9.3059 9.5515 PRESSURE: 4985800 8.36536 29.8489 -142.383 29.849 -262.815 -1.25682 -142.383 -1.2575 -382.018 GPRESSURE: 4985800 53.2956 2.54559 -159.89 30.6482 -252.501 75.6864 -40.5631 -67.1129 -346.842 PRESSAVG: 4985800 36.8084 -11.8766 75.1651 -11.8767 -7.93072 33.0468 75.1651 33.0468 -5.94167 GPRESSAVG: 4985800 35.835 -11.3589 74.2989 -12.143 -6.99599 32.5658 73.2686 34.3132 -6.18517 TIMING: 4985800 CPU: 15770.8, 0.00318287/step Wall: 15770.8, 0.00318287/step, 0.0125547 hours remaining, 235.652344 MB of memory in use. ENERGY: 4985800 3881.6956 20570.3266 14420.4514 254.5140 -203408.9156 2742.1674 0.0000 0.0000 52069.9355 -109469.8251 299.2466 -161539.7606 -109093.3312 299.2642 -212.1562 -182.0158 761298.3718 7.6453 7.5513 PRESSURE: 4986000 80.2234 -265.162 -12.7938 -265.162 -157.528 50.6073 -12.7945 50.6068 -59.2907 GPRESSURE: 4986000 26.9166 -139.257 41.8167 -213.257 -97.4546 59.1916 70.0807 -39.0961 -4.72789 PRESSAVG: 4986000 24.4713 -24.7631 12.9056 -24.7631 -48.4899 -20.4827 12.9056 -20.4827 2.58368 GPRESSAVG: 4986000 24.8443 -23.3225 14.0827 -24.8507 -48.6863 -22.103 13.2996 -18.9668 2.64186 TIMING: 4986000 CPU: 15771.4, 0.00319159/step Wall: 15771.4, 0.00319159/step, 0.0124117 hours remaining, 235.652344 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: 4986000 3990.4833 20393.7481 14407.1589 263.9950 -203448.1040 2760.5410 0.0000 0.0000 52372.9733 -109259.2043 300.9882 -161632.1776 -108891.5499 299.5208 -45.5319 -25.0886 761916.1860 -7.1450 -7.0667 PRESSURE: 4986200 36.2167 -140.006 -72.8849 -140.008 -355.863 134.289 -72.885 134.289 -2.3269 GPRESSURE: 4986200 15.6463 -137.171 -87.6585 -144.004 -296.733 183.556 -112.335 67.6022 40.9695 PRESSAVG: 4986200 43.3096 14.7623 -18.9945 14.7623 -37.0132 -9.40558 -18.9946 -9.40562 -6.55396 GPRESSAVG: 4986200 42.8312 13.7864 -20.7951 16.2179 -35.5046 -7.28341 -16.9741 -11.3209 -7.24855 TIMING: 4986200 CPU: 15772, 0.00319182/step Wall: 15772, 0.00319182/step, 0.0122353 hours remaining, 235.652344 MB of memory in use. ENERGY: 4986200 4167.8553 20477.9384 14402.9526 228.2895 -203703.4067 2817.0244 0.0000 0.0000 52211.0766 -109398.2698 300.0578 -161609.3464 -109035.6343 299.3186 -107.3245 -80.0391 761445.7535 -0.0858 0.0260 PRESSURE: 4986400 -333.971 179.335 127.753 179.336 -479.688 20.9062 127.754 20.9059 -321.374 GPRESSURE: 4986400 -374.551 130.24 134.196 65.9605 -351.969 10.1252 -51.124 -40.0987 -316.677 PRESSAVG: 4986400 -16.8402 59.6915 53.4429 59.6915 12.3594 42.3101 53.4429 42.3102 31.9997 GPRESSAVG: 4986400 -15.4906 60.2738 55.9416 57.4766 10.7573 41.8439 50.433 43.535 32.2694 TIMING: 4986400 CPU: 15772.7, 0.00318425/step Wall: 15772.7, 0.00318425/step, 0.0120294 hours remaining, 235.652344 MB of memory in use. ENERGY: 4986400 4018.2981 20512.0353 14421.0682 233.5923 -203297.0833 2477.8291 0.0000 0.0000 52120.7615 -109513.4988 299.5387 -161634.2603 -109159.4730 299.2914 -378.3442 -347.7322 762038.8288 9.1730 9.1787 PRESSURE: 4986600 -52.3535 -64.9294 -291.045 -64.9287 138.25 -161.636 -291.045 -161.636 35.3162 GPRESSURE: 4986600 24.7857 -39.0934 -177.685 40.3116 195.785 -178.682 -295.126 -131.069 -17.4366 PRESSAVG: 4986600 -39.3067 -4.38635 15.4749 -4.38635 -17.525 -10.4653 15.4749 -10.4653 -27.625 GPRESSAVG: 4986600 -40.5764 -5.94683 14.2899 -4.60076 -16.2299 -11.4255 17.5105 -11.372 -27.675 TIMING: 4986600 CPU: 15773.3, 0.00316431/step Wall: 15773.3, 0.00316431/step, 0.0117782 hours remaining, 235.652344 MB of memory in use. ENERGY: 4986600 4028.5932 20610.3336 14460.3088 238.0987 -203603.8743 2895.0746 0.0000 0.0000 52054.1002 -109317.3652 299.1556 -161371.4654 -108951.5500 299.1044 40.4043 67.7114 761582.5151 -28.1522 -28.1604 PRESSURE: 4986800 -162.795 195.84 140.377 195.84 -490.605 27.3919 140.378 27.3913 -372.948 GPRESSURE: 4986800 -172.017 221.229 60.6116 147.105 -401.771 -1.99597 98.8129 17.466 -373.742 PRESSAVG: 4986800 3.74773 27.4979 12.1753 27.498 -7.97027 -57.8915 12.1754 -57.8916 8.94865 GPRESSAVG: 4986800 5.46201 28.8652 11.6198 28.6122 -9.73574 -56.8867 12.9301 -56.3107 9.20817 TIMING: 4986800 CPU: 15773.9, 0.00318335/step Wall: 15773.9, 0.00318335/step, 0.0116723 hours remaining, 235.652344 MB of memory in use. ENERGY: 4986800 4048.3561 20650.8822 14500.6066 242.4649 -203143.9050 2575.1672 0.0000 0.0000 52040.5420 -109085.8859 299.0777 -161126.4280 -108732.6272 299.7235 -342.1160 -315.8434 762767.5879 1.5754 1.6448 PRESSURE: 4987000 -176.749 199.178 3.16691 199.178 -320.945 116.909 3.16657 116.91 -927.651 GPRESSURE: 4987000 -144.883 65.7227 -24.0236 171.882 -318.952 118.023 -16.4843 55.8457 -873.972 PRESSAVG: 4987000 -7.79422 -9.18614 81.7192 -9.18616 -53.1519 -49.478 81.7191 -49.478 -4.34171 GPRESSAVG: 4987000 -8.71845 -11.056 83.1099 -8.25159 -52.591 -49.8672 79.8043 -50.2179 -4.11846 TIMING: 4987000 CPU: 15774.6, 0.00316829/step Wall: 15774.6, 0.00316829/step, 0.0114411 hours remaining, 235.652344 MB of memory in use. ENERGY: 4987000 3987.0567 20388.5213 14506.1679 241.6795 -202854.6504 2387.0940 0.0000 0.0000 52283.5249 -109060.6063 300.4741 -161344.1312 -108692.7505 299.7064 -475.1150 -445.9356 763803.9499 -21.7626 -21.8093 PRESSURE: 4987200 -373.37 -112.136 191.488 -112.136 -28.9976 -13.7393 191.488 -13.7391 -316.838 GPRESSURE: 4987200 -425.379 -87.4409 167.67 -112.173 43.8849 22.1707 74.9891 -67.8926 -252.657 PRESSAVG: 4987200 49.7548 -8.74835 64.1794 -8.74834 -37.0817 -0.196117 64.1793 -0.196228 -8.44491 GPRESSAVG: 4987200 49.5361 -6.53767 63.3816 -10.6234 -37.9784 -0.904897 61.0205 -0.956653 -7.63433 TIMING: 4987200 CPU: 15775.2, 0.00317336/step Wall: 15775.2, 0.00317336/step, 0.0112831 hours remaining, 235.652344 MB of memory in use. ENERGY: 4987200 4041.9647 20500.1518 14470.7569 240.4245 -202607.2235 2217.4090 0.0000 0.0000 51968.5190 -109167.9977 298.6638 -161136.5167 -108797.6212 299.7459 -239.7353 -211.3834 762717.8113 1.4094 1.3078 PRESSURE: 4987400 6.68341 121.157 -209.333 121.156 -310.203 -246.196 -209.334 -246.195 -261.043 GPRESSURE: 4987400 85.664 134.669 -252.719 -1.54095 -335.95 -254.316 -224.465 -249.257 -221.073 PRESSAVG: 4987400 -4.84871 -30.4337 68.9012 -30.4337 23.9089 -28.4151 68.9011 -28.4151 21.6669 GPRESSAVG: 4987400 -5.26279 -32.3363 68.3988 -28.6276 24.3463 -29.458 72.9437 -28.4942 21.6368 TIMING: 4987400 CPU: 15775.8, 0.00316801/step Wall: 15775.8, 0.00316801/step, 0.011088 hours remaining, 235.652344 MB of memory in use. ENERGY: 4987400 4011.8170 20509.2035 14451.0780 249.6520 -203300.0793 2736.3307 0.0000 0.0000 52252.1609 -109089.8372 300.2939 -161341.9981 -108728.9037 299.4918 -188.1874 -157.1196 763153.4752 13.5757 13.5734 PRESSURE: 4987600 -392.24 -240.597 -93.8802 -240.597 -191.08 25.3877 -93.8806 25.3873 -150.211 GPRESSURE: 4987600 -362.385 -139.178 -162.29 -329.628 -165.933 35.7813 -198.422 -155.647 -110.052 PRESSAVG: 4987600 -0.0912065 -10.2896 53.5999 -10.2897 -41.9238 -55.621 53.5999 -55.621 -9.65876 GPRESSAVG: 4987600 1.5494 -7.50642 53.7179 -11.5324 -43.1217 -55.8325 51.8853 -54.6933 -10.3481 TIMING: 4987600 CPU: 15776.5, 0.00317036/step Wall: 15776.5, 0.00317036/step, 0.0109201 hours remaining, 235.652344 MB of memory in use. ENERGY: 4987600 3995.0295 20534.2579 14504.5129 238.5526 -203109.3865 2531.0850 0.0000 0.0000 51996.2124 -109309.7362 298.8229 -161305.9485 -108945.9429 299.1977 -244.5101 -212.7897 762804.0011 -17.2246 -17.3068 PRESSURE: 4987800 -331.38 151.889 205.276 151.888 29.6168 15.3284 205.275 15.3282 296.769 GPRESSURE: 4987800 -247.972 68.8217 308.974 193.514 80.992 141.026 186.73 2.79071 241.405 PRESSAVG: 4987800 -61.9046 -53.9704 -0.952459 -53.9704 33.6755 -2.07056 -0.952558 -2.07054 2.56258 GPRESSAVG: 4987800 -62.0957 -55.9216 -1.67699 -54.1398 34.5866 -0.977969 -0.0227742 -3.31489 1.40675 TIMING: 4987800 CPU: 15777.1, 0.00315472/step Wall: 15777.1, 0.00315473/step, 0.010691 hours remaining, 235.652344 MB of memory in use. ENERGY: 4987800 3973.9837 20576.7910 14465.8416 259.0018 -203347.8122 2790.5959 0.0000 0.0000 51964.0341 -109317.5641 298.6380 -161281.5982 -108952.7015 299.1567 -1.6646 24.8083 760936.7314 -8.5555 -8.7008 PRESSURE: 4988000 128.854 -102.049 -38.1383 -102.049 133.269 -21.6529 -38.1376 -21.6525 95.9218 GPRESSURE: 4988000 231.02 -85.241 -20.1322 -84.6944 146.32 -12.6761 -149.554 -36.1419 72.6099 PRESSAVG: 4988000 -6.09794 33.9527 60.5053 33.9526 39.3569 -9.96358 60.5053 -9.9636 -4.95586 GPRESSAVG: 4988000 -7.67402 34.5396 60.6302 35.4428 40.5514 -11.124 61.4521 -8.77727 -4.68567 TIMING: 4988000 CPU: 15777.7, 0.00316005/step Wall: 15777.7, 0.00316005/step, 0.0105335 hours remaining, 235.652344 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: 4988000 3954.8432 20404.1219 14485.9916 244.4719 -203252.7661 2873.8396 0.0000 0.0000 52022.7013 -109266.7966 298.9752 -161289.4979 -108912.0546 299.0510 119.3483 149.9834 761036.9739 9.4344 9.3973 PRESSURE: 4988200 -200.293 129.229 -231.795 129.228 -28.3859 531.59 -231.795 531.589 96.933 GPRESSURE: 4988200 -183.411 35.7137 -325.659 63.3149 44.5909 483.48 -230.96 315.121 86.9474 PRESSAVG: 4988200 -12.6716 -29.8312 -37.2977 -29.8312 2.77329 -11.0948 -37.2977 -11.0949 18.6583 GPRESSAVG: 4988200 -11.3251 -30.2429 -38.1949 -30.5746 0.619371 -8.57182 -36.2893 -12.2414 19.2674 TIMING: 4988200 CPU: 15778.4, 0.00316484/step Wall: 15778.4, 0.00316485/step, 0.0103737 hours remaining, 235.652344 MB of memory in use. ENERGY: 4988200 3971.1681 20447.0685 14408.7330 235.9781 -203179.1026 2734.1640 0.0000 0.0000 52289.2094 -109092.7816 300.5068 -161381.9909 -108731.6071 299.1960 -43.9153 -17.2910 761369.3224 2.9200 2.8539 LDB: ============= START OF LOAD BALANCING ============== 15790.9 LDB: ============== END OF LOAD BALANCING =============== 15790.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15790.9 LDB: ============= START OF LOAD BALANCING ============== 15791.2 LDB: Largest compute 7077 load 0.034260 is 17.5% of average load 0.195614 LDB: Average compute 0.004382 is 2.2% of average load 0.195614 LDB: TIME 15791.2 LOAD: AVG 0.195614 MAX 0.218894 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 237.355 MB LDB: TIME 15791.2 LOAD: AVG 0.195614 MAX 0.218894 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.422 MB LDB: TIME 15791.2 LOAD: AVG 0.195614 MAX 0.216607 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 237.422 MB LDB: ============== END OF LOAD BALANCING =============== 15791.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15791.2 PRESSURE: 4988400 -80.7074 -53.8435 4.58144 -53.8436 -107.077 106.549 4.58072 106.549 -253.032 GPRESSURE: 4988400 4.70031 40.6977 27.0256 46.0862 -80.095 26.13 90.839 57.5494 -298.711 PRESSAVG: 4988400 14.2943 17.1813 -0.73834 17.1813 15.3834 10.6843 -0.738331 10.6843 3.96096 GPRESSAVG: 4988400 14.1977 18.3125 -0.139218 17.9284 16.6095 8.76884 -0.683773 13.0326 2.75968 TIMING: 4988400 CPU: 15779, 0.00324138/step Wall: 15779, 0.00324138/step, 0.0104444 hours remaining, 236.472656 MB of memory in use. ENERGY: 4988400 4004.9359 20483.1852 14472.4007 262.1058 -202715.6478 2402.2087 0.0000 0.0000 52129.7922 -108961.0193 299.5906 -161090.8115 -108599.5136 299.9275 -146.9387 -124.7017 763276.7339 11.2129 11.1890 PRESSURE: 4988600 114.349 17.5862 210.401 17.5871 -106.262 -2.82167 210.4 -2.82155 -28.2033 GPRESSURE: 4988600 70.8396 -44.9194 223.196 3.96342 38.768 31.5797 18.3225 -35.7961 -50.7022 PRESSAVG: 4988600 -19.595 -49.6588 34.5704 -49.6588 22.0116 52.1199 34.5704 52.1198 -21.6857 GPRESSAVG: 4988600 -19.957 -51.2944 35.5099 -50.7888 22.3441 51.9471 35.296 49.6759 -21.6176 TIMING: 4988600 CPU: 15779.6, 0.00313757/step Wall: 15779.6, 0.00313758/step, 0.00993565 hours remaining, 236.542969 MB of memory in use. ENERGY: 4988600 4045.4557 20490.0436 14424.0581 243.3532 -202915.4520 2702.2056 0.0000 0.0000 52210.5744 -108799.7615 300.0549 -161010.3359 -108436.6291 299.7711 -6.7056 19.6351 763756.6202 -6.4230 -6.4102 PRESSURE: 4988800 147.635 -43.8992 180.694 -43.9 72.3461 93.3299 180.695 93.3286 125.967 GPRESSURE: 4988800 126.766 9.51496 227.16 54.762 124.299 104.376 104.567 13.8818 182.415 PRESSAVG: 4988800 35.0765 -20.542 64.956 -20.5419 -35.6473 27.9951 64.956 27.995 17.8602 GPRESSAVG: 4988800 33.6232 -20.7028 64.3595 -20.5065 -35.7349 28.9299 64.488 28.9617 19.7091 TIMING: 4988800 CPU: 15780.3, 0.00316786/step Wall: 15780.3, 0.00316786/step, 0.00985556 hours remaining, 236.800781 MB of memory in use. ENERGY: 4988800 3910.0692 20502.7536 14434.6735 257.5514 -202958.8960 2642.8204 0.0000 0.0000 52076.2436 -109134.7844 299.2829 -161211.0280 -108787.4906 299.9084 115.3162 144.4932 762234.0051 5.7631 5.8658 PRESSURE: 4989000 -97.0109 -284.225 36.3798 -284.225 -279.098 218.845 36.3791 218.845 -412.362 GPRESSURE: 4989000 -67.7674 -283.738 -22.7214 -376.693 -276.162 180.58 14.8661 79.9353 -369.01 PRESSAVG: 4989000 6.39714 -54.7183 50.2049 -54.7183 6.92136 8.80358 50.2049 8.8034 22.1768 GPRESSAVG: 4989000 7.06609 -54.0056 50.6573 -55.1475 7.50271 8.53737 47.5477 6.829 21.1061 TIMING: 4989000 CPU: 15780.9, 0.00316434/step Wall: 15780.9, 0.00316434/step, 0.00966882 hours remaining, 237.042969 MB of memory in use. ENERGY: 4989000 3964.6927 20563.3679 14408.5966 217.9239 -202714.3568 2117.4596 0.0000 0.0000 52198.9103 -109243.4058 299.9879 -161442.3161 -108879.5947 299.3271 -262.8236 -237.6465 761862.8640 11.8318 11.8916 PRESSURE: 4989200 76.8953 54.2146 6.80907 54.2153 64.6802 51.8439 6.80852 51.844 -470.613 GPRESSURE: 4989200 95.0043 5.92589 57.2614 127.043 39.3812 23.5132 207.556 190.764 -368.434 PRESSAVG: 4989200 -6.6815 -74.2687 27.8333 -74.2686 -5.31844 -17.8872 27.8332 -17.8872 -29.0141 GPRESSAVG: 4989200 -6.28813 -74.8091 28.3446 -75.0576 -7.32607 -17.5654 29.356 -14.8147 -27.7425 TIMING: 4989200 CPU: 15781.5, 0.00317135/step Wall: 15781.5, 0.00317135/step, 0.00951406 hours remaining, 237.054688 MB of memory in use. ENERGY: 4989200 3943.5312 20514.3517 14461.7988 271.4542 -203110.4409 2560.6308 0.0000 0.0000 52203.0769 -109155.5972 300.0118 -161358.6741 -108804.2011 299.2388 -109.6793 -78.0161 761811.9604 -13.6714 -13.7856 PRESSURE: 4989400 7.13008 58.9538 18.4131 58.9535 -116.203 -41.3371 18.413 -41.3367 -11.7164 GPRESSURE: 4989400 72.9173 79.2651 42.3522 40.7169 -106.721 -109.319 29.6569 -106.494 -6.15931 PRESSAVG: 4989400 11.3956 -71.1018 50.3656 -71.1018 5.8711 17.6666 50.3655 17.6666 23.8159 GPRESSAVG: 4989400 11.9298 -70.6304 49.7084 -70.4 5.77315 18.6578 49.6669 16.4241 23.2544 TIMING: 4989400 CPU: 15782.2, 0.00317385/step Wall: 15782.2, 0.00317385/step, 0.00934524 hours remaining, 237.054688 MB of memory in use. ENERGY: 4989400 3970.8947 20437.2019 14446.4678 266.0651 -203067.9836 2638.6270 0.0000 0.0000 52057.5877 -109251.1393 299.1757 -161308.7270 -108887.0239 299.1845 -40.2633 -13.3211 762390.6640 13.6942 13.6524 PRESSURE: 4989600 1.03374 -87.5283 77.8886 -87.5285 301.202 82.4902 77.8891 82.4907 -171.26 GPRESSURE: 4989600 70.4906 -32.5188 45.1467 -144.379 305.92 175.567 -32.5248 69.5688 -151.69 PRESSAVG: 4989600 -30.5091 -42.3905 16.2949 -42.3905 -1.42453 45.1668 16.2949 45.1668 29.9774 GPRESSAVG: 4989600 -30.9362 -42.9321 17.0095 -41.1897 -0.317169 44.7371 15.1826 45.135 29.9205 TIMING: 4989600 CPU: 15782.8, 0.00317691/step Wall: 15782.8, 0.00317691/step, 0.00917774 hours remaining, 237.054688 MB of memory in use. ENERGY: 4989600 3920.7611 20428.0841 14436.1323 252.3997 -203298.6670 2922.4279 0.0000 0.0000 52143.6915 -109195.1703 299.6705 -161338.8618 -108832.1555 299.6847 43.6585 74.9069 763548.2022 -0.6521 -0.4443 PRESSURE: 4989800 -142.988 -35.1893 190.743 -35.1895 189.093 -169.538 190.744 -169.538 -98.9845 GPRESSURE: 4989800 -50.7083 -59.2526 139.089 -83.4394 172.415 -188.049 248.321 -103.734 -104.167 PRESSAVG: 4989800 -59.2576 -32.4348 39.3957 -32.4348 75.0643 -35.2726 39.3957 -35.2727 -3.66886 GPRESSAVG: 4989800 -59.1741 -31.3556 38.432 -32.1362 75.7225 -36.5904 41.0604 -32.8273 -4.31254 TIMING: 4989800 CPU: 15783.4, 0.00316525/step Wall: 15783.4, 0.00316525/step, 0.00896821 hours remaining, 237.054688 MB of memory in use. ENERGY: 4989800 3947.1934 20678.4109 14470.2589 254.5253 -202891.5932 2560.6359 0.0000 0.0000 52042.4957 -108938.0730 299.0889 -160980.5687 -108588.5168 299.4113 -17.6262 5.8466 761972.4936 4.0459 4.0786 PRESSURE: 4990000 -100.853 29.8822 51.4463 29.8821 -165.215 54.6246 51.4455 54.6252 198.333 GPRESSURE: 4990000 -207.196 79.0822 -0.441634 46.5548 -42.7399 61.1408 44.497 -124.657 243.096 PRESSAVG: 4990000 -75.24 -19.4491 18.419 -19.449 39.6154 -14.1678 18.4191 -14.1678 -2.75755 GPRESSAVG: 4990000 -75.2461 -20.3907 18.6844 -21.2469 38.5279 -14.6012 19.6553 -16.4916 -1.93282 TIMING: 4990000 CPU: 15784.1, 0.00316986/step Wall: 15784.1, 0.00316986/step, 0.00880516 hours remaining, 237.054688 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: 4990000 3976.2525 20584.2767 14516.3634 251.7718 -202828.6879 2475.6676 0.0000 0.0000 52203.1343 -108821.2216 300.0121 -161024.3559 -108469.7748 299.6755 -22.5785 -2.2802 761303.7700 -12.7940 -12.8836 PRESSURE: 4990200 -324.747 -2.30197 10.8489 -2.30174 -173.936 -147.63 10.8489 -147.631 106.345 GPRESSURE: 4990200 -226.493 58.0149 -52.6751 93.2405 -175.725 -50.8345 58.9213 -254.619 83.366 PRESSAVG: 4990200 -31.2993 31.7441 27.5096 31.744 47.6548 -3.16409 27.5095 -3.16413 -10.4446 GPRESSAVG: 4990200 -31.4141 33.4441 27.1816 33.5483 48.0066 -3.24689 26.8341 -1.79571 -10.7652 TIMING: 4990200 CPU: 15784.7, 0.0031746/step Wall: 15784.7, 0.0031746/step, 0.00864195 hours remaining, 237.054688 MB of memory in use. ENERGY: 4990200 3917.5980 20466.3007 14465.9869 269.7617 -202764.8714 2216.1621 0.0000 0.0000 52359.4020 -109069.6600 300.9102 -161429.0620 -108711.4297 300.1661 -130.7791 -106.2839 760532.6355 1.9703 1.9424 PRESSURE: 4990400 -277.136 13.9198 -26.9419 13.9196 80.2351 -181.759 -26.9406 -181.759 -369.189 GPRESSURE: 4990400 -236.33 42.5404 -31.5376 -43.7805 56.9258 -199.879 -59.9985 -141.736 -314.129 PRESSAVG: 4990400 -16.6548 1.81511 -11.2806 1.81505 2.99021 7.92054 -11.2805 7.92049 9.86669 GPRESSAVG: 4990400 -15.5983 0.85704 -11.0032 1.74836 2.0889 8.53964 -10.5751 8.01237 9.54117 TIMING: 4990400 CPU: 15785.4, 0.00319022/step Wall: 15785.4, 0.00319022/step, 0.00850724 hours remaining, 237.054688 MB of memory in use. ENERGY: 4990400 3939.5320 20533.5790 14490.4494 266.4510 -202681.7891 2111.0561 0.0000 0.0000 52172.7435 -109167.9781 299.8375 -161340.7216 -108809.8592 299.9764 -188.6965 -164.5110 761437.9152 -1.2660 -1.3227 PRESSURE: 4990600 298.31 -155.277 -79.6679 -155.277 -145.302 111.076 -79.6679 111.076 -157.578 GPRESSURE: 4990600 226.509 -112.379 -56.3785 -146.808 -46.6139 -17.9885 -68.2809 157.626 -96.5886 PRESSAVG: 4990600 -30.0126 -52.1072 34.9451 -52.1073 65.5535 -13.7265 34.945 -13.7265 9.73093 GPRESSAVG: 4990600 -31.9058 -52.7019 35.1018 -53.0863 66.5269 -14.6386 34.8387 -15.2819 10.3235 TIMING: 4990600 CPU: 15786, 0.00320364/step Wall: 15786, 0.00320364/step, 0.00836507 hours remaining, 237.054688 MB of memory in use. ENERGY: 4990600 4008.6564 20624.5396 14440.4917 236.3421 -202932.6000 2314.0573 0.0000 0.0000 52022.2887 -109286.2241 298.9728 -161308.5129 -108932.0934 299.6373 -1.5233 27.7690 759578.4691 15.0906 14.9816 PRESSURE: 4990800 -50.4725 -1.69549 457.215 -1.69529 -237.793 68.7573 457.216 68.7577 21.6813 GPRESSURE: 4990800 7.56145 36.1609 402.004 -54.4047 -209.461 68.8748 357.967 125.464 33.3332 PRESSAVG: 4990800 2.52539 -41.7076 48.5572 -41.7076 -20.7592 -2.52463 48.5572 -2.52464 -20.1213 GPRESSAVG: 4990800 4.32717 -40.1773 49.6692 -41.5491 -21.3196 -1.29502 47.1935 -2.34947 -21.4482 TIMING: 4990800 CPU: 15786.6, 0.00318279/step Wall: 15786.6, 0.00318279/step, 0.0081338 hours remaining, 237.054688 MB of memory in use. ENERGY: 4990800 3907.5325 20356.6609 14507.0889 248.9714 -202932.4631 2338.4561 0.0000 0.0000 52367.5120 -109206.2412 300.9568 -161573.7532 -108840.0592 299.3518 -88.8614 -56.1887 760881.4848 -12.7850 -12.8135 PRESSURE: 4991000 320.57 -122.381 -64.0831 -122.381 -262.679 80.4068 -64.0835 80.4065 147.511 GPRESSURE: 4991000 289.908 -94.8399 -81.8688 -169.112 -131.74 17.6254 15.4762 52.718 128.62 PRESSAVG: 4991000 10.6706 -12.7855 29.1183 -12.7854 -30.0245 20.7364 29.1184 20.7364 24.2171 GPRESSAVG: 4991000 9.50754 -14.4041 28.0486 -13.0518 -29.2618 20.1357 29.5715 21.9546 24.6346 TIMING: 4991000 CPU: 15787.3, 0.00317892/step Wall: 15787.3, 0.00317892/step, 0.00794729 hours remaining, 237.054688 MB of memory in use. ENERGY: 4991000 4026.5444 20353.9759 14492.6614 266.2818 -202676.6511 2198.4732 0.0000 0.0000 51971.8676 -109366.8468 298.6830 -161338.7144 -108998.8937 298.8687 68.4672 95.5961 760463.3980 1.6211 1.6268 PRESSURE: 4991200 -288.245 -157.257 -104.714 -157.257 -106.685 17.912 -104.714 17.9121 -298.646 GPRESSURE: 4991200 -306.784 -170.245 -197.241 -40.2876 -81.4073 56.9672 -63.3127 36.2191 -223.091 PRESSAVG: 4991200 -9.76107 25.8403 -4.20039 25.8403 -29.6133 -29.3442 -4.20045 -29.3442 19.4223 GPRESSAVG: 4991200 -9.34888 26.7901 -6.10407 27.5991 -30.5219 -27.1498 -3.81832 -30.611 19.8703 TIMING: 4991200 CPU: 15787.9, 0.00319513/step Wall: 15787.9, 0.00319513/step, 0.00781031 hours remaining, 237.054688 MB of memory in use. ENERGY: 4991200 4011.9512 20388.1961 14555.7714 256.4152 -202994.5513 2522.6136 0.0000 0.0000 52083.1924 -109176.4114 299.3228 -161259.6038 -108819.7869 299.1953 -231.1920 -203.7608 762360.7898 -6.6507 -6.6668 PRESSURE: 4991400 -75.0234 -292.804 -76.8764 -292.803 -74.6389 -11.0715 -76.8763 -11.0706 -100.753 GPRESSURE: 4991400 -106.884 -202.493 -16.937 -237.863 16.2667 -16.9815 84.8392 40.7377 -49.5899 PRESSAVG: 4991400 5.38422 -62.8502 20.2228 -62.8502 18.5786 19.5378 20.2228 19.5378 0.761292 GPRESSAVG: 4991400 5.75594 -62.1426 21.2825 -62.4262 19.4637 18.7817 20.2563 18.7659 -0.166233 TIMING: 4991400 CPU: 15788.5, 0.00320803/step Wall: 15788.5, 0.00320803/step, 0.00766363 hours remaining, 237.054688 MB of memory in use. ENERGY: 4991400 3942.3752 20541.8408 14501.6260 238.4103 -202728.5284 2310.7478 0.0000 0.0000 52094.9765 -109098.5519 299.3905 -161193.5284 -108745.8443 299.4773 -83.4719 -46.7356 761592.4614 8.2414 8.3511 PRESSURE: 4991600 317.67 9.12848 119.281 9.12936 237.031 118.807 119.282 118.807 -327.593 GPRESSURE: 4991600 290.482 -32.3121 156.164 12.4566 266.039 62.9731 150.994 199.843 -261.988 PRESSAVG: 4991600 -19.7781 -14.826 40.934 -14.8261 6.23482 28.4868 40.934 28.4869 10.9246 GPRESSAVG: 4991600 -19.7141 -18.1733 40.7717 -14.0749 5.2802 28.5993 40.8944 29.8797 12.0516 TIMING: 4991600 CPU: 15789.2, 0.00317855/step Wall: 15789.2, 0.00317855/step, 0.00741661 hours remaining, 237.054688 MB of memory in use. ENERGY: 4991600 4041.8033 20563.6681 14502.4475 252.4303 -203294.5364 2739.3937 0.0000 0.0000 52241.4438 -108953.3498 300.2323 -161194.7936 -108607.1698 299.9802 75.7026 98.1773 759512.2385 -0.8729 -0.7941 PRESSURE: 4991800 -166.852 -79.3806 3.21762 -79.3814 424.504 244.239 3.21741 244.24 379.32 GPRESSURE: 4991800 32.3354 68.4863 21.3412 -114.911 317.753 251.387 7.65091 245.741 342.087 PRESSAVG: 4991800 -16.6147 -66.8363 9.71736 -66.8364 -13.7372 39.4861 9.7174 39.4861 -0.41389 GPRESSAVG: 4991800 -18.0558 -64.093 8.50347 -67.9754 -12.2462 39.3081 10.2509 38.1799 -0.967267 TIMING: 4991800 CPU: 15789.8, 0.00319329/step Wall: 15789.8, 0.00319329/step, 0.00727361 hours remaining, 237.054688 MB of memory in use. ENERGY: 4991800 3941.6871 20490.4632 14440.5868 233.7898 -203095.4155 2634.6357 0.0000 0.0000 52267.3547 -109086.8983 300.3812 -161354.2530 -108715.2289 300.3427 212.3243 230.7251 761349.4603 -10.2552 -10.4231 PRESSURE: 4992000 59.2818 -194.142 1.80582 -194.143 223.409 -137.583 1.80601 -137.583 254.75 GPRESSURE: 4992000 112.268 -160.895 14.2028 -106.072 264.772 -191.559 132.45 -61.7776 273.589 PRESSAVG: 4992000 -40.2103 -2.11966 1.09498 -2.11972 53.825 13.5791 1.09499 13.579 4.66041 GPRESSAVG: 4992000 -38.9367 -1.78552 3.78432 -4.68477 52.9195 12.3306 0.710787 14.9546 4.48148 TIMING: 4992000 CPU: 15790.5, 0.00319575/step Wall: 15790.5, 0.00319575/step, 0.00710166 hours remaining, 237.054688 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: 4992000 3949.3303 20409.9893 14425.4844 242.5276 -203240.8416 2866.0353 0.0000 0.0000 52249.0861 -109098.3886 300.2762 -161347.4747 -108727.5425 299.5466 179.1467 216.8764 761823.2545 6.0917 6.1548 PRESSURE: 4992200 -223.504 -145.511 135.854 -145.511 -141.219 -150.005 135.855 -150.005 -217.395 GPRESSURE: 4992200 -254.466 -96.1142 53.9283 -34.8538 0.0889875 -186.921 263.443 -129.889 -229.075 PRESSAVG: 4992200 -19.9203 -3.6965 4.66707 -3.69654 29.5936 29.8363 4.66706 29.8363 -13.6561 GPRESSAVG: 4992200 -19.7842 -2.32252 4.29363 -2.16415 30.0889 31.0629 4.57643 28.1272 -14.0304 TIMING: 4992200 CPU: 15791.1, 0.00319617/step Wall: 15791.1, 0.00319617/step, 0.00692504 hours remaining, 237.054688 MB of memory in use. ENERGY: 4992200 4033.8789 20474.7930 14531.8899 241.7822 -202986.2269 2432.9330 0.0000 0.0000 52207.6164 -109063.3336 300.0379 -161270.9500 -108707.8319 299.9068 -194.0396 -161.1508 761500.9602 -1.3276 -1.2419 LDB: ============= START OF LOAD BALANCING ============== 15803.6 LDB: ============== END OF LOAD BALANCING =============== 15803.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15803.6 LDB: ============= START OF LOAD BALANCING ============== 15804 LDB: Largest compute 7076 load 0.035504 is 18.1% of average load 0.195622 LDB: Average compute 0.004379 is 2.2% of average load 0.195622 LDB: TIME 15804 LOAD: AVG 0.195622 MAX 0.214923 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 235.652 MB LDB: TIME 15804 LOAD: AVG 0.195622 MAX 0.214923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: TIME 15804 LOAD: AVG 0.195622 MAX 0.214923 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 235.746 MB LDB: ============== END OF LOAD BALANCING =============== 15804 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15804 PRESSURE: 4992400 -170.402 69.7627 -50.1383 69.7626 -189.081 238.261 -50.1376 238.261 -26.3216 GPRESSURE: 4992400 -146.481 94.0499 2.74301 -98.0734 -140.105 288.637 72.2731 199.307 -14.9741 PRESSAVG: 4992400 -2.6592 38.7141 4.38742 38.7141 -8.32755 5.58834 4.38749 5.58831 -7.17502 GPRESSAVG: 4992400 -3.941 37.7579 3.67378 38.5548 -7.90288 4.83234 3.83461 5.33264 -6.30531 TIMING: 4992400 CPU: 15791.8, 0.0032625/step Wall: 15791.8, 0.0032625/step, 0.00688751 hours remaining, 235.980469 MB of memory in use. ENERGY: 4992400 3961.6377 20651.7774 14475.6537 239.7678 -202796.7818 2271.7089 0.0000 0.0000 52156.3221 -109039.9141 299.7431 -161196.2362 -108681.1323 299.7471 -128.6017 -100.5202 761424.9186 -6.0539 -6.0497 PRESSURE: 4992600 -49.1195 -212.174 95.1958 -212.175 -131.598 183.575 95.1959 183.575 295.519 GPRESSURE: 4992600 24.9294 -154.404 28.5724 -95.4088 -23.8129 136.412 51.6881 204.815 193.77 PRESSAVG: 4992600 22.0454 -27.7633 9.11057 -27.7633 -6.15704 87.1775 9.11052 87.1775 4.75061 GPRESSAVG: 4992600 22.3681 -27.6134 10.529 -28.055 -5.62486 87.6535 8.93443 87.3096 4.11867 TIMING: 4992600 CPU: 15792.4, 0.00321136/step Wall: 15792.4, 0.00321136/step, 0.00660114 hours remaining, 236.164062 MB of memory in use. ENERGY: 4992600 3965.1334 20435.7320 14550.2428 251.8761 -203223.4624 2669.2338 0.0000 0.0000 52183.7891 -109167.4553 299.9010 -161351.2444 -108807.6737 299.9246 38.2673 64.9623 761150.9751 6.8796 6.9540 PRESSURE: 4992800 -199.359 113.518 -88.457 113.519 82.639 70.798 -88.4569 70.7985 -33.3538 GPRESSURE: 4992800 -62.5569 69.2589 -83.0036 64.1285 52.6081 47.0987 5.92173 -40.1212 -57.102 PRESSAVG: 4992800 0.464953 -38.0183 -21.4107 -38.0183 -19.1014 44.4282 -21.4107 44.4283 -17.3829 GPRESSAVG: 4992800 0.857681 -39.2074 -20.4912 -37.4753 -19.5949 43.654 -21.2243 43.5505 -16.8052 TIMING: 4992800 CPU: 15793, 0.00318873/step Wall: 15793, 0.00318873/step, 0.00637746 hours remaining, 236.164062 MB of memory in use. ENERGY: 4992800 3972.2865 20410.0457 14487.8708 231.9528 -203079.8346 2567.8130 0.0000 0.0000 52170.8503 -109239.0154 299.8266 -161409.8657 -108877.2534 299.2652 -50.0245 -22.3503 761974.3859 -12.0065 -11.8475 PRESSURE: 4993000 261.413 61.0283 -54.5024 61.0281 -19.0017 -54.71 -54.503 -54.7099 -261.27 GPRESSURE: 4993000 234.717 17.3535 -80.1129 136.721 -24.5337 12.6054 25.0401 -88.4346 -146.759 PRESSAVG: 4993000 -18.1004 -48.803 -33.1821 -48.803 36.5315 -1.57905 -33.1821 -1.57915 -3.21638 GPRESSAVG: 4993000 -17.3523 -48.4345 -35.2222 -49.8963 36.4105 -1.08831 -34.1432 -0.649421 -3.71729 TIMING: 4993000 CPU: 15793.7, 0.00319064/step Wall: 15793.7, 0.00319064/step, 0.00620403 hours remaining, 236.164062 MB of memory in use. ENERGY: 4993000 4037.5071 20587.5371 14507.9878 282.3505 -202911.2037 2557.5024 0.0000 0.0000 51831.9470 -109106.3718 297.8789 -160938.3188 -108749.7068 299.5943 -6.2863 21.1412 762241.7330 5.0716 5.1136 PRESSURE: 4993200 -60.8452 -163.439 -127.126 -163.439 -277.675 95.1201 -127.126 95.1206 -94.9852 GPRESSURE: 4993200 -39.0986 -109.75 -163.906 -131.74 -172.879 74.0123 -35.6884 97.0375 -126.221 PRESSAVG: 4993200 -9.75222 -11.8541 17.2076 -11.8541 6.79025 -20.6738 17.2076 -20.6737 -0.109846 GPRESSAVG: 4993200 -10.3959 -10.5995 18.9709 -12.3203 7.7891 -20.6202 17.7626 -21.4433 -0.526486 TIMING: 4993200 CPU: 15794.3, 0.00319952/step Wall: 15794.3, 0.00319952/step, 0.00604354 hours remaining, 236.164062 MB of memory in use. ENERGY: 4993200 3993.2782 20522.4088 14558.7329 249.5390 -203315.7318 2573.9722 0.0000 0.0000 52265.2128 -109152.5878 300.3689 -161417.8006 -108790.1869 299.8204 -144.5017 -112.7329 761778.8826 -1.0239 -1.0444 PRESSURE: 4993400 -186.393 44.1067 176.549 44.1072 -87.0412 59.4833 176.549 59.4849 142.238 GPRESSURE: 4993400 -90.0699 -37.2911 170.339 76.7363 -32.1838 75.195 43.7882 145.287 70.7969 PRESSAVG: 4993400 14.7858 -35.0424 5.84972 -35.0425 -17.828 8.54154 5.84972 8.5415 -22.4788 GPRESSAVG: 4993400 13.8638 -37.0094 4.52455 -34.151 -18.0076 7.76167 5.93493 8.17631 -21.9327 TIMING: 4993400 CPU: 15794.9, 0.00319037/step Wall: 15794.9, 0.00319037/step, 0.00584901 hours remaining, 236.164062 MB of memory in use. ENERGY: 4993400 3995.2618 20496.1640 14528.8820 233.0059 -203346.0647 2529.6776 0.0000 0.0000 52417.8006 -109145.2729 301.2458 -161563.0735 -108776.1491 299.6751 -43.7319 -17.1523 761252.4127 -8.5070 -8.6922 PRESSURE: 4993600 -178.224 -124.517 14.4735 -124.516 542.238 -174.562 14.4739 -174.562 69.894 GPRESSURE: 4993600 -80.7715 -171.695 67.2413 -129.171 569.37 -62.3634 -2.36608 -153.869 22.2759 PRESSAVG: 4993600 -41.6005 3.25792 -14.3729 3.2579 48.0548 34.4775 -14.3729 34.4776 -6.09874 GPRESSAVG: 4993600 -41.6749 2.45174 -13.8392 5.45616 48.5686 37.4743 -14.8412 34.9615 -6.36986 TIMING: 4993600 CPU: 15795.6, 0.00318547/step Wall: 15795.6, 0.00318547/step, 0.00566305 hours remaining, 236.164062 MB of memory in use. ENERGY: 4993600 3981.8910 20720.8209 14455.9527 256.9966 -203719.3480 2985.3976 0.0000 0.0000 52138.5452 -109179.7440 299.6409 -161318.2892 -108819.2985 300.2553 144.6359 170.2916 760794.9929 0.1185 0.1746 PRESSURE: 4993800 -263.665 -258.047 -65.1964 -258.047 13.5954 -176.426 -65.1968 -176.427 509.702 GPRESSURE: 4993800 -234.715 -245.066 -114.449 -200.307 58.0037 -145.855 1.97936 -183.758 528.773 PRESSAVG: 4993800 -77.4632 10.0374 -3.02293 10.0373 29.1781 2.20357 -3.02294 2.20361 33.991 GPRESSAVG: 4993800 -77.0178 10.5382 -3.19987 7.69059 27.4023 2.08572 -5.14803 2.37657 34.98 TIMING: 4993800 CPU: 15796.2, 0.00316571/step Wall: 15796.2, 0.00316571/step, 0.00545206 hours remaining, 236.164062 MB of memory in use. ENERGY: 4993800 4034.8578 20686.9102 14405.3476 235.4300 -203261.9694 2519.0814 0.0000 0.0000 52202.1591 -109178.1835 300.0065 -161380.3425 -108809.7687 300.2452 86.5442 117.3539 761845.7627 -4.7647 -4.8785 PRESSURE: 4994000 -128.299 -77.4117 -208.375 -77.4111 211.643 119.119 -208.376 119.12 -174.226 GPRESSURE: 4994000 -78.9195 -57.0623 -342.516 -83.0688 243.404 78.4061 -147.849 56.1007 -160.942 PRESSAVG: 4994000 -31.8718 -53.5371 11.6556 -53.5371 18.9372 27.5948 11.6556 27.5949 -3.85905 GPRESSAVG: 4994000 -32.1543 -51.8661 11.2678 -52.6383 20.2358 27.2464 13.4384 26.9417 -4.58078 TIMING: 4994000 CPU: 15796.9, 0.00317442/step Wall: 15796.9, 0.00317442/step, 0.00529069 hours remaining, 236.164062 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: 4994000 4165.2341 20536.8965 14500.5110 274.6405 -203508.0373 2604.1634 0.0000 0.0000 52207.8982 -109218.6935 300.0395 -161426.5917 -108861.2323 300.1444 -30.2940 1.1808 760581.6603 -5.5979 -5.4998 PRESSURE: 4994200 44.8117 -184.72 81.2654 -184.72 80.9565 17.8688 81.2656 17.8679 130.478 GPRESSURE: 4994200 42.1855 -197.679 60.5371 -237.599 172.948 3.81349 186.722 -47.4747 139.389 PRESSAVG: 4994200 -22.245 -43.4968 51.5036 -43.4968 62.6561 -14.6551 51.5036 -14.6551 7.22103 GPRESSAVG: 4994200 -23.0797 -44.8421 52.7515 -42.3589 62.5673 -14.6312 50.2199 -14.4634 7.93275 TIMING: 4994200 CPU: 15797.5, 0.0031878/step Wall: 15797.5, 0.0031878/step, 0.0051359 hours remaining, 236.164062 MB of memory in use. ENERGY: 4994200 4038.1574 20497.3247 14408.2818 253.7218 -203801.8522 2939.6522 0.0000 0.0000 52120.1615 -109544.5529 299.5353 -161664.7143 -109183.4592 299.8394 85.4155 118.1740 761262.1971 15.8774 15.8068 PRESSURE: 4994400 -37.0582 -63.3938 -298.3 -63.393 -104.846 -19.3538 -298.301 -19.3536 -111.487 GPRESSURE: 4994400 -31.1568 -91.3709 -224.994 24.6305 -82.8046 80.6432 -258.707 83.2154 -34.732 PRESSAVG: 4994400 -47.2561 -31.02 58.2405 -31.02 49.0584 -6.54333 58.2405 -6.54334 -3.42225 GPRESSAVG: 4994400 -46.6559 -29.2483 57.9696 -32.2113 48.4582 -8.48628 58.5597 -5.39837 -3.70382 TIMING: 4994400 CPU: 15798.1, 0.00321195/step Wall: 15798.1, 0.00321195/step, 0.00499636 hours remaining, 236.164062 MB of memory in use. ENERGY: 4994400 4114.4564 20434.9729 14441.8823 252.3046 -203819.0688 2961.6627 0.0000 0.0000 52375.8415 -109237.9485 301.0047 -161613.7900 -108880.6155 299.6876 -84.4637 -49.5645 761846.9892 -0.5400 -0.6338 PRESSURE: 4994600 -134.431 10.1766 -11.8207 10.1759 51.404 -75.5915 -11.8214 -75.5913 -109.04 GPRESSURE: 4994600 -29.0169 -125.735 -71.5774 5.7708 65.7837 -43.7974 -78.4397 -24.6985 -143.213 PRESSAVG: 4994600 0.741524 -50.037 18.4205 -50.0369 21.9884 -28.4287 18.4205 -28.4288 13.0072 GPRESSAVG: 4994600 -0.123883 -54.7956 18.3038 -49.9152 22.4461 -28.1128 18.4455 -28.1585 13.378 TIMING: 4994600 CPU: 15798.8, 0.00318376/step Wall: 15798.8, 0.00318376/step, 0.00477563 hours remaining, 236.164062 MB of memory in use. ENERGY: 4994600 4074.8730 20512.0352 14456.9347 243.6842 -203402.8166 2649.8135 0.0000 0.0000 51956.2688 -109509.2073 298.5934 -161465.4761 -109151.6415 299.9927 -64.0224 -35.4820 761743.9833 11.9124 11.9001 PRESSURE: 4994800 -254.646 157.198 106.538 157.198 -67.4358 84.7987 106.538 84.7982 72.9296 GPRESSURE: 4994800 -175.469 266.129 140.65 58.588 4.91518 57.2941 -21.111 -28.1144 13.3175 PRESSAVG: 4994800 6.78205 -49.6959 19.3546 -49.6959 -10.7013 -31.5876 19.3545 -31.5876 -16.9396 GPRESSAVG: 4994800 7.43855 -44.8925 19.7276 -50.4467 -10.5345 -30.8919 20.1189 -32.1539 -17.8146 TIMING: 4994800 CPU: 15799.4, 0.00316613/step Wall: 15799.4, 0.00316613/step, 0.0045733 hours remaining, 236.164062 MB of memory in use. ENERGY: 4994800 3987.8629 20581.2377 14530.0492 237.9123 -203188.4663 2296.4695 0.0000 0.0000 52035.1315 -109519.8031 299.0466 -161554.9347 -109166.4966 299.2788 -83.0508 -52.4122 761544.9713 -6.9529 -6.9702 PRESSURE: 4995000 -23.0413 -36.1429 58.8038 -36.1432 -86.7608 -223.902 58.803 -223.903 -176.901 GPRESSURE: 4995000 -5.24669 99.8837 69.1778 83.0806 -21.0988 -272.332 97.2983 -135.887 -189.437 PRESSAVG: 4995000 -30.9816 -7.83074 17.0409 -7.83081 27.0097 6.11644 17.0408 6.11646 -8.255 GPRESSAVG: 4995000 -30.1908 -9.79001 16.9334 -7.32825 26.779 6.11088 16.078 6.76405 -8.02401 TIMING: 4995000 CPU: 15800, 0.00318733/step Wall: 15800, 0.00318734/step, 0.00442685 hours remaining, 236.164062 MB of memory in use. ENERGY: 4995000 3991.1951 20423.2537 14524.9139 226.5412 -203250.3713 2453.0530 0.0000 0.0000 52080.4987 -109550.9157 299.3073 -161631.4144 -109194.1769 299.0089 -95.5677 -71.9276 761381.7029 -4.0756 -3.8119 PRESSURE: 4995200 147.103 -57.1334 -43.0483 -57.1331 -61.2291 28.7593 -43.0481 28.7586 99.8177 GPRESSURE: 4995200 184.331 -17.2938 -39.3283 -194.701 -2.49593 90.2111 -77.5321 75.7985 100.167 PRESSAVG: 4995200 4.21687 -19.3063 40.3188 -19.3063 -14.5714 -20.4788 40.3188 -20.4788 6.87341 GPRESSAVG: 4995200 3.94599 -19.6686 41.0114 -20.6701 -15.1199 -21.3259 41.7647 -21.3273 7.71176 TIMING: 4995200 CPU: 15800.7, 0.00318598/step Wall: 15800.7, 0.00318598/step, 0.00424797 hours remaining, 236.164062 MB of memory in use. ENERGY: 4995200 3945.5934 20511.8894 14455.1264 252.4781 -203332.6588 2463.8935 0.0000 0.0000 52147.1218 -109556.5561 299.6902 -161703.6779 -109195.1620 299.1645 61.8971 94.0006 760927.2484 -1.1604 -1.1540 PRESSURE: 4995400 18.0815 94.0768 80.5819 94.0764 -85.1751 -58.9252 80.5823 -58.9243 -38.7895 GPRESSURE: 4995400 80.1552 44.2885 120.548 63.221 -19.1262 -64.9164 138.645 -64.3634 -73.3128 PRESSAVG: 4995400 41.3852 -2.20087 20.8642 -2.20088 -0.609584 38.0089 20.8642 38.0089 13.4818 GPRESSAVG: 4995400 41.2488 -4.39745 19.4412 -0.728494 1.02969 38.3796 21.4542 37.3259 11.665 TIMING: 4995400 CPU: 15801.3, 0.00316538/step Wall: 15801.3, 0.00316538/step, 0.00404465 hours remaining, 236.164062 MB of memory in use. ENERGY: 4995400 4017.3455 20505.2067 14487.7050 242.8248 -203124.0626 2360.4004 0.0000 0.0000 52050.4912 -109460.0892 299.1349 -161510.5803 -109104.5810 299.0851 -35.2944 -4.0946 760876.2375 18.0858 17.9812 PRESSURE: 4995600 -215.802 119.637 20.0052 119.638 -221.17 115.953 20.0061 115.952 -274.653 GPRESSURE: 4995600 -187.046 120.407 42.4539 83.1076 -187.381 49.9119 39.4679 38.3786 -241.698 PRESSAVG: 4995600 26.9902 -52.7689 -30.1176 -52.7689 -11.1554 22.8044 -30.1177 22.8043 -24.9403 GPRESSAVG: 4995600 25.7871 -49.1177 -30.5027 -52.321 -11.1709 23.3732 -30.5598 21.4194 -23.2693 TIMING: 4995600 CPU: 15801.9, 0.00318184/step Wall: 15801.9, 0.00318184/step, 0.00388891 hours remaining, 236.164062 MB of memory in use. ENERGY: 4995600 4076.3833 20495.6343 14473.0509 260.0459 -203265.0319 2513.4429 0.0000 0.0000 52086.9575 -109359.5171 299.3445 -161446.4746 -109004.4383 299.6144 -237.2084 -205.3749 761355.7927 -3.0352 -2.8843 PRESSURE: 4995800 74.4803 -253.282 154.067 -253.281 -149.411 50.8029 154.067 50.8022 -374.674 GPRESSURE: 4995800 99.5012 -303.571 160.21 -214.132 -34.8028 222.648 172.824 42.9457 -448.086 PRESSAVG: 4995800 -50.8452 -28.3808 40.9926 -28.3808 5.9963 22.6139 40.9926 22.6139 28.324 GPRESSAVG: 4995800 -48.7943 -30.228 42.5463 -28.5981 4.69796 20.9565 39.6592 24.453 27.7617 TIMING: 4995800 CPU: 15802.6, 0.00315615/step Wall: 15802.6, 0.00315615/step, 0.00368218 hours remaining, 236.164062 MB of memory in use. ENERGY: 4995800 4005.3325 20697.7465 14531.2526 238.4924 -203212.6921 2339.3509 0.0000 0.0000 52106.5378 -109293.9792 299.4570 -161400.5171 -108933.7679 299.6072 -149.8681 -127.7959 759807.9262 -5.5083 -5.4449 PRESSURE: 4996000 24.8102 107.509 0.632891 107.509 163.027 -146.22 0.632269 -146.22 -308.119 GPRESSURE: 4996000 36.6141 77.6498 137.176 75.9557 270.39 -232.043 -90.8835 -167.044 -342.583 PRESSAVG: 4996000 -4.40911 -26.9023 0.369091 -26.9023 16.7824 31.4902 0.369024 31.4902 -8.38059 GPRESSAVG: 4996000 -4.86672 -25.7981 -0.363446 -27.1733 18.3842 31.4157 0.6182 32.0534 -9.19715 TIMING: 4996000 CPU: 15803.2, 0.00317229/step Wall: 15803.2, 0.00317229/step, 0.00352477 hours remaining, 236.164062 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: 4996000 3955.7317 20598.4110 14406.8116 242.1446 -203525.7463 2442.8138 0.0000 0.0000 52391.2958 -109488.5378 301.0935 -161879.8336 -109123.6334 299.4018 -40.0940 -11.8597 759064.9133 1.3309 1.4401 PRESSURE: 4996200 161.033 -115.295 -48.3716 -115.295 -114.731 -30.8556 -48.3713 -30.8552 375.417 GPRESSURE: 4996200 65.4573 14.8577 26.2228 -138.057 13.0677 -25.503 -49.7129 -61.1901 410.422 PRESSAVG: 4996200 60.885 12.8146 16.0256 12.8146 -4.80021 -18.914 16.0256 -18.914 -20.8923 GPRESSAVG: 4996200 60.3906 11.4454 14.5854 13.0541 -5.09125 -18.6016 17.6624 -19.0709 -20.2038 TIMING: 4996200 CPU: 15803.8, 0.00315785/step Wall: 15803.8, 0.00315785/step, 0.00333328 hours remaining, 236.164062 MB of memory in use. ENERGY: 4996200 4018.0318 20530.9639 14491.1625 239.3592 -203686.7805 2460.4885 0.0000 0.0000 52369.5879 -109577.1867 300.9687 -161946.7747 -109201.1955 299.6948 140.5731 162.9825 759348.4661 11.7308 11.6985 LDB: ============= START OF LOAD BALANCING ============== 15816.4 LDB: ============== END OF LOAD BALANCING =============== 15816.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15816.4 LDB: ============= START OF LOAD BALANCING ============== 15816.7 LDB: Largest compute 7076 load 0.034796 is 17.8% of average load 0.195482 LDB: Average compute 0.004400 is 2.3% of average load 0.195482 LDB: TIME 15816.7 LOAD: AVG 0.195482 MAX 0.213705 PROXIES: TOTAL 1225 MAXPE 13 MAXPATCH 8 None MEM: 236.742 MB LDB: TIME 15816.7 LOAD: AVG 0.195482 MAX 0.213705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.742 MB LDB: TIME 15816.7 LOAD: AVG 0.195482 MAX 0.213705 PROXIES: TOTAL 1226 MAXPE 13 MAXPATCH 8 RefineTorusLB MEM: 236.742 MB LDB: ============== END OF LOAD BALANCING =============== 15816.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15816.7 PRESSURE: 4996400 -131.465 -51.1466 205.646 -51.1465 168.633 -147.559 205.646 -147.558 -576.406 GPRESSURE: 4996400 38.9734 -9.85304 208.518 81.5759 73.2693 -136.642 211.177 3.37987 -565.952 PRESSAVG: 4996400 -36.0604 59.2282 46.4191 59.2282 34.1804 -6.44821 46.4191 -6.44816 10.2596 GPRESSAVG: 4996400 -33.7189 60.5996 49.1235 59.4198 30.9197 -7.29016 47.1835 -6.56676 10.691 TIMING: 4996400 CPU: 15804.5, 0.00322239/step Wall: 15804.5, 0.00322239/step, 0.00322239 hours remaining, 235.191406 MB of memory in use. ENERGY: 4996400 4010.1684 20647.3244 14392.9821 260.9710 -203486.4831 2598.7092 0.0000 0.0000 51932.7074 -109643.6205 298.4580 -161576.3279 -109286.0562 299.3549 -179.7460 -151.2366 760308.6331 2.7932 2.6306 PRESSURE: 4996600 152.144 37.3779 -66.0124 37.3781 -3.0282 -47.1951 -66.0126 -47.194 -110.097 GPRESSURE: 4996600 277.787 115.065 -97.7603 17.8414 -27.9739 -64.868 -155.4 -88.066 -114.716 PRESSAVG: 4996600 29.1123 -16.1875 5.04968 -16.1875 -32.1701 2.61054 5.04967 2.6106 -2.93021 GPRESSAVG: 4996600 26.6469 -16.0663 3.77702 -17.6333 -30.0004 4.86062 1.51144 3.66817 -2.82018 TIMING: 4996600 CPU: 15805.1, 0.00316902/step Wall: 15805.1, 0.00316902/step, 0.00299296 hours remaining, 235.394531 MB of memory in use. ENERGY: 4996600 3969.1763 20636.3476 14360.6410 244.5742 -203175.2691 2392.8396 0.0000 0.0000 51929.2836 -109642.4068 298.4383 -161571.6904 -109281.6360 298.9915 13.0064 45.0323 761733.7050 -1.9960 -2.0579 PRESSURE: 4996800 -558.13 120.546 -42.9579 120.546 -72.9091 -110.026 -42.9579 -110.027 -431.253 GPRESSURE: 4996800 -495.737 103.715 -64.41 42.8194 -73.8147 -40.4759 -134.947 -155.89 -412.596 PRESSAVG: 4996800 23.6636 -26.7978 14.5704 -26.7978 27.1845 -27.3693 14.5705 -27.3693 -14.6193 GPRESSAVG: 4996800 24.5819 -28.0514 14.2882 -25.5242 27.0221 -28.0492 14.7829 -29.1685 -15.2956 TIMING: 4996800 CPU: 15805.8, 0.00315506/step Wall: 15805.8, 0.00315506/step, 0.0028045 hours remaining, 235.394531 MB of memory in use. ENERGY: 4996800 4009.6136 20663.1946 14379.7235 240.5724 -202948.4892 2063.1512 0.0000 0.0000 52190.6238 -109401.6102 299.9402 -161592.2340 -109043.1351 299.5982 -354.0975 -327.3826 762248.1773 12.0762 12.1028 PRESSURE: 4997000 -335.323 -195.962 -66.4318 -195.961 50.7551 -222 -66.4316 -222 -126.649 GPRESSURE: 4997000 -287.799 -230.736 -67.4992 -147.533 61.0246 -301.773 -29.0818 -198.25 -67.6179 PRESSAVG: 4997000 3.26613 10.5398 19.4374 10.5398 -38.1206 -36.4916 19.4374 -36.4915 13.9413 GPRESSAVG: 4997000 3.69744 10.9993 20.6407 10.4822 -36.7451 -36.4904 19.9947 -35.6044 12.4483 TIMING: 4997000 CPU: 15806.4, 0.00318698/step Wall: 15806.4, 0.00318698/step, 0.00265582 hours remaining, 235.394531 MB of memory in use. ENERGY: 4997000 4086.1198 20574.5252 14460.3897 244.0923 -202890.8508 2232.2321 0.0000 0.0000 52165.3541 -109128.1375 299.7950 -161293.4916 -108765.8931 299.4080 -137.0722 -98.1308 760662.2463 -6.9711 -6.8665 PRESSURE: 4997200 79.278 27.8334 -168.358 27.8334 -324.258 118.232 -168.358 118.233 118.778 GPRESSURE: 4997200 29.6761 113.545 -162.134 -108.206 -199.954 111.204 -129.873 53.5617 155.933 PRESSAVG: 4997200 55.4396 8.29433 -24.963 8.29438 -33.4521 -51.5476 -24.9629 -51.5475 -25.1524 GPRESSAVG: 4997200 54.6187 5.85535 -26.4126 8.88395 -33.6722 -50.7758 -24.6488 -53.0622 -23.7375 TIMING: 4997200 CPU: 15807, 0.00316536/step Wall: 15807, 0.00316536/step, 0.00246195 hours remaining, 235.394531 MB of memory in use. ENERGY: 4997200 3956.9956 20591.7360 14463.7449 248.6760 -203111.6586 2527.0598 0.0000 0.0000 51994.1870 -109329.2594 298.8113 -161323.4464 -108964.1887 299.7683 -42.0673 -4.7816 761548.0076 -1.0550 -0.9303 PRESSURE: 4997400 -116.623 108.997 -166.119 108.997 -115.698 166.259 -166.119 166.259 -164.357 GPRESSURE: 4997400 -57.8157 143.997 -164.681 135.658 -94.8472 107.337 -276.535 224.258 -161.652 PRESSAVG: 4997400 -7.28973 -37.0384 -52.1849 -37.0383 10.8723 -39.3969 -52.1849 -39.3969 11.9528 GPRESSAVG: 4997400 -5.72473 -35.0106 -50.7261 -38.3988 10.3479 -39.7003 -53.5179 -37.7868 10.9303 TIMING: 4997400 CPU: 15807.7, 0.00318044/step Wall: 15807.7, 0.00318044/step, 0.00229699 hours remaining, 235.394531 MB of memory in use. ENERGY: 4997400 3991.7329 20522.9571 14328.7787 237.7666 -203502.9321 2786.8604 0.0000 0.0000 52184.3809 -109450.4557 299.9044 -161634.8365 -109085.1377 299.5779 -132.2262 -104.7717 762490.9579 5.1784 5.1845 PRESSURE: 4997600 -307.122 -115.798 75.4333 -115.798 -391 173.327 75.4331 173.326 -151.074 GPRESSURE: 4997600 -333.657 -183.956 40.0336 -16.7227 -312.207 70.0824 135.944 166.002 -125.059 PRESSAVG: 4997600 -25.4647 0.576353 -13.5695 0.576353 37.8002 18.3743 -13.5695 18.3742 0.536507 GPRESSAVG: 4997600 -27.6694 0.331468 -16.5527 3.51737 38.6877 18.5251 -10.3286 17.8591 1.86136 TIMING: 4997600 CPU: 15808.3, 0.00319546/step Wall: 15808.3, 0.00319546/step, 0.00213031 hours remaining, 235.394531 MB of memory in use. ENERGY: 4997600 3927.2257 20538.3683 14488.0381 267.6521 -202693.1200 1980.9172 0.0000 0.0000 52076.9155 -109414.0031 299.2867 -161490.9186 -109047.2579 298.5194 -283.0652 -256.9744 762896.0172 4.2907 4.2932 PRESSURE: 4997800 24.1297 22.3964 81.1393 22.3962 -27.3836 220.803 81.1398 220.802 62.9801 GPRESSURE: 4997800 118.878 -22.7404 -0.889877 -25.795 -99.0237 233.442 238.552 37.8798 121.907 PRESSAVG: 4997800 -1.97271 30.69 -46.7654 30.6901 27.3623 -0.286558 -46.7654 -0.286494 8.34892 GPRESSAVG: 4997800 -0.980356 31.5515 -44.5908 29.8704 27.1963 -2.3093 -47.4193 -1.2963 6.68639 TIMING: 4997800 CPU: 15808.9, 0.00318376/step Wall: 15808.9, 0.00318376/step, 0.00194563 hours remaining, 235.394531 MB of memory in use. ENERGY: 4997800 3978.5546 20443.6957 14482.6379 234.7313 -203230.9561 2762.8655 0.0000 0.0000 52102.3608 -109226.1102 299.4330 -161328.4709 -108864.6110 299.2197 19.9087 47.2537 760347.6338 11.2462 10.9675 PRESSURE: 4998000 -111.612 -22.1979 -29.5563 -22.1979 -105.495 -57.928 -29.5563 -57.9286 341.979 GPRESSURE: 4998000 49.0633 -53.4331 -85.6528 -150.551 -143.464 -47.39 -35.4109 -16.9807 322.891 PRESSAVG: 4998000 -9.85963 11.7226 -21.0948 11.7226 58.6026 -74.1405 -21.0948 -74.1405 -2.93351 GPRESSAVG: 4998000 -9.52831 12.6776 -20.7137 9.72009 57.4058 -71.7084 -21.9659 -74.1137 -2.22724 TIMING: 4998000 CPU: 15809.6, 0.00315745/step Wall: 15809.6, 0.00315745/step, 0.00175414 hours remaining, 235.394531 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: 4998000 3958.4434 20521.7003 14512.0597 247.2813 -202797.6105 2190.7263 0.0000 0.0000 52197.9682 -109169.4312 299.9824 -161367.3994 -108804.8586 299.6119 41.6242 76.1636 762481.7030 15.2698 15.2167 PRESSURE: 4998200 -414.85 -7.09679 -141.272 -7.09654 -293.455 -286.825 -141.271 -286.825 -196.793 GPRESSURE: 4998200 -430.731 -80.4928 -115.014 67.6213 -189.616 -363.231 -33.4691 -121.728 -192.931 PRESSAVG: 4998200 -14.9586 -1.04806 -6.64038 -1.04807 -9.10919 -9.88191 -6.64036 -9.88192 -19.9255 GPRESSAVG: 4998200 -15.3534 -4.19592 -7.06757 0.834753 -9.29979 -10.9423 -7.48795 -6.12648 -18.8649 TIMING: 4998200 CPU: 15810.2, 0.00317127/step Wall: 15810.2, 0.00317127/step, 0.00158563 hours remaining, 235.394531 MB of memory in use. ENERGY: 4998200 4059.6662 20674.3042 14443.4720 234.0079 -203120.0086 2297.7448 0.0000 0.0000 52205.2031 -109205.6103 300.0240 -161410.8134 -108838.9531 299.8557 -301.6997 -271.0927 762825.6736 -14.6644 -14.5060 PRESSURE: 4998400 -33.4032 -88.2568 190.308 -88.2573 -98.2413 -119.743 190.308 -119.744 -185.033 GPRESSURE: 4998400 6.48193 100.903 200.713 6.34495 -103.285 -58.7657 91.1642 -153.286 -151.172 PRESSAVG: 4998400 25.8192 -50.677 -7.2034 -50.6771 -0.395739 27.2739 -7.20344 27.2738 18.3981 GPRESSAVG: 4998400 25.6712 -48.2201 -7.37837 -51.7499 0.922156 26.1865 -7.15161 26.0826 17.1649 TIMING: 4998400 CPU: 15810.8, 0.00316769/step Wall: 15810.8, 0.00316769/step, 0.00140786 hours remaining, 235.394531 MB of memory in use. ENERGY: 4998400 4009.6780 20671.3451 14409.2334 241.7455 -203037.4467 2544.5091 0.0000 0.0000 51972.5655 -109188.3700 298.6870 -161160.9355 -108826.1507 299.7008 -105.5591 -82.6585 762473.1222 14.6072 14.5861 PRESSURE: 4998600 196.533 -106.999 -87.2523 -106.999 -80.2615 -64.4046 -87.252 -64.4051 122.071 GPRESSURE: 4998600 160.929 -53.57 -121.86 -145.204 63.3635 -72.6123 -77.8953 -65.7825 110.889 PRESSAVG: 4998600 6.31099 -27.2888 -1.17261 -27.2888 1.70007 30.2061 -1.17253 30.206 -2.53648 GPRESSAVG: 4998600 6.41886 -28.4427 -1.04728 -26.4212 2.58419 31.007 -2.81421 28.204 -3.04909 TIMING: 4998600 CPU: 15811.5, 0.00316167/step Wall: 15811.5, 0.00316167/step, 0.00122954 hours remaining, 235.394531 MB of memory in use. ENERGY: 4998600 4009.5992 20638.2504 14493.1421 249.3696 -203438.1529 2914.7483 0.0000 0.0000 51824.7574 -109308.2858 297.8376 -161133.0432 -108950.6084 299.9237 79.4475 111.7274 761814.3977 1.8249 1.9847 PRESSURE: 4998800 117.202 11.4902 -119.201 11.4908 -25.5909 140.012 -119.202 140.012 344.317 GPRESSURE: 4998800 155.847 14.0923 -109.9 23.6503 12.8558 139.911 -84.0615 153.184 380.963 PRESSAVG: 4998800 15.9584 -22.3714 -25.8558 -22.3714 1.72763 -24.6638 -25.8558 -24.6638 -0.588115 GPRESSAVG: 4998800 16.7742 -20.9035 -26.3811 -23.5152 1.42958 -24.1523 -24.2004 -25.0953 -0.697585 TIMING: 4998800 CPU: 15812.1, 0.00318374/step Wall: 15812.1, 0.00318374/step, 0.00106125 hours remaining, 235.394531 MB of memory in use. ENERGY: 4998800 3958.7781 20650.0078 14508.9810 251.9766 -203322.9073 2596.7886 0.0000 0.0000 52097.5305 -109258.8448 299.4052 -161356.3753 -108901.8498 299.3524 145.3095 183.2220 762016.2916 5.6993 5.8354 PRESSURE: 4999000 -257.541 161.307 -179.44 161.308 -210.365 -393.405 -179.44 -393.404 11.045 GPRESSURE: 4999000 -210.204 154.985 -299.442 279.584 -137.546 -440.694 -167.994 -391.48 -9.36122 PRESSAVG: 4999000 5.47969 -14.5496 -8.4077 -14.5496 12.0747 -4.96608 -8.40772 -4.96604 -29.6332 GPRESSAVG: 4999000 5.2105 -13.9091 -7.78371 -13.4219 12.3265 -4.14616 -8.1162 -4.91224 -29.6107 TIMING: 4999000 CPU: 15812.7, 0.00315061/step Wall: 15812.7, 0.00315061/step, 0.00087517 hours remaining, 235.394531 MB of memory in use. ENERGY: 4999000 4039.5853 20635.9901 14529.2818 241.9642 -202959.2881 2357.0836 0.0000 0.0000 52026.5714 -109128.8116 298.9974 -161155.3830 -108772.9312 299.7458 -152.2871 -119.0374 762709.0651 -4.0263 -4.0246 PRESSURE: 4999200 -83.7914 132.231 -20.8929 132.23 31.6253 140.937 -20.8928 140.937 -217.344 GPRESSURE: 4999200 -29.432 108.615 -81.9374 9.94008 77.3056 130.768 -35.6284 55.3575 -251.567 PRESSAVG: 4999200 -34.1812 -33.4098 -9.19118 -33.4098 24.7815 0.798781 -9.1911 0.798793 38.5485 GPRESSAVG: 4999200 -33.3106 -36.2684 -8.61363 -32.8094 22.9655 -0.954432 -7.33146 -0.326191 38.5975 TIMING: 4999200 CPU: 15813.4, 0.00315013/step Wall: 15813.4, 0.00315013/step, 0.00070003 hours remaining, 235.394531 MB of memory in use. ENERGY: 4999200 4036.7436 20561.5225 14400.8044 248.6359 -203281.1985 2786.2293 0.0000 0.0000 52303.0388 -108944.2239 300.5863 -161247.2627 -108582.3564 300.2936 -89.8367 -67.8978 762467.3203 9.7163 9.4175 PRESSURE: 4999400 -44.5586 5.4829 -82.063 5.48322 -192.2 92.1012 -82.0623 92.1016 147.384 GPRESSURE: 4999400 0.777249 67.1081 -114.906 -45.428 -161.602 94.6889 -76.7705 154.369 169.356 PRESSAVG: 4999400 -12.658 -15.9095 30.6688 -15.9095 1.98891 -0.426885 30.6689 -0.426889 20.0635 GPRESSAVG: 4999400 -13.1817 -14.8769 30.1616 -17.4808 2.94119 -0.4393 29.7789 1.6341 19.4613 TIMING: 4999400 CPU: 15814, 0.00316342/step Wall: 15814, 0.00316342/step, 0.000527237 hours remaining, 235.394531 MB of memory in use. ENERGY: 4999400 4005.9275 20673.4267 14417.7929 261.3889 -203142.1097 2573.2430 0.0000 0.0000 52344.6974 -108865.6334 300.8257 -161210.3308 -108500.1740 300.0197 -29.7915 2.8438 763195.6157 3.1315 3.0736 PRESSURE: 4999600 -325.375 0.175184 46.1956 0.17446 -106.901 -29.9182 46.1953 -29.9178 7.67288 GPRESSURE: 4999600 -471.326 -76.502 70.0788 102.635 -18.091 4.8022 -35.8789 -125.533 161.096 PRESSAVG: 4999600 -104.539 -12.1135 30.8767 -12.1135 61.3049 11.1929 30.8767 11.193 6.06278 GPRESSAVG: 4999600 -105.281 -13.1423 31.7528 -12.0058 61.4404 10.8596 29.1262 9.26408 6.72078 TIMING: 4999600 CPU: 15814.6, 0.00315724/step Wall: 15814.6, 0.00315724/step, 0.000350804 hours remaining, 235.394531 MB of memory in use. ENERGY: 4999600 3982.6593 20896.7539 14593.8331 252.5586 -202895.1527 2232.4965 0.0000 0.0000 52143.8195 -108793.0319 299.6712 -160936.8514 -108437.2324 300.8372 -141.5342 -109.4405 762589.3494 -12.3904 -12.3734 PRESSURE: 4999800 400.927 286.21 -146.741 286.21 161.439 3.37578 -146.74 3.37542 66.5851 GPRESSURE: 4999800 393.46 133.038 -234.13 165.568 246.134 -71.9893 -33.4785 21.6383 85.4776 PRESSAVG: 4999800 -9.80625 41.9634 11.5815 41.9635 36.6818 10.3586 11.5815 10.3587 -10.1194 GPRESSAVG: 4999800 -9.96891 42.9956 11.4088 42.1138 36.2528 10.7852 11.7117 12.2229 -9.52238 TIMING: 4999800 CPU: 15815.3, 0.00314344/step Wall: 15815.3, 0.00314344/step, 0.000174635 hours remaining, 235.394531 MB of memory in use. ENERGY: 4999800 3958.2898 20729.7755 14528.0666 247.4764 -203149.3000 2702.4246 0.0000 0.0000 52046.3456 -108936.9215 299.1111 -160983.2671 -108573.6141 300.4990 209.6504 241.6905 761224.2692 5.5854 5.5872 PRESSURE: 5000000 -15.1143 21.4925 210.305 21.4928 -25.2496 274.947 210.306 274.947 40.6176 GPRESSURE: 5000000 -39.5696 57.732 194.533 110.849 74.3518 203.145 206.536 132.682 45.1537 PRESSAVG: 5000000 -16.0715 18.4582 9.47504 18.4581 -10.6608 47.5873 9.47501 47.5872 -1.36894 GPRESSAVG: 5000000 -15.9517 17.2959 9.10004 17.9481 -10.0223 48.3507 9.93728 46.5619 -1.92368 TIMING: 5000000 CPU: 15815.9, 0.00317813/step Wall: 15815.9, 0.00317813/step, 0 hours remaining, 235.394531 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: 5000000 4075.5663 20737.7624 14480.8992 238.3560 -203550.9811 2787.9257 0.0000 0.0000 52110.5683 -109119.9031 299.4802 -161230.4714 -108758.1725 300.1325 0.0846 26.6453 760660.2325 -9.3671 -9.2992 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.1.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.1.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 15828.753906 CPUTime: 15828.753906 Memory: 235.511719 MB [Partition 0][Node 0] End of program Application 48636928 resources: utime ~2489622s, stime ~36297s, Rss ~245532, inblocks ~422587, outblocks ~1178168